CC(C)(C)SC[C@@H]([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C(=O)[O-]	REAL300012000001	0	42	0.0	-33.52	359.77	10.05	-23.47
CC(C)(C)SC[C@@H]([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C(=O)[O-]	REAL300012000002	0	45	0.0	-36.80	368.65	8.95	-27.85
CC1=C(C[NH2+][C@H](CSC(C)(C)C)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012000003	0	48	0.0	-24.46	370.67	11.64	-12.82
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H](CSC(C)(C)C)C(=O)[O-]	REAL300012000004	0	57	0.0	-27.54	441.95	10.70	-16.84
CC(C)(C)SC[C@@H]([NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C(=O)[O-]	REAL300012000005	0	45	0.0	-29.70	382.14	11.85	-17.85
COC1=C2C=CNC2=CC=C1C[NH2+][C@H](CSC(C)(C)C)C(=O)[O-]	REAL300012000006	0	47	0.0	-24.68	379.60	8.57	-16.11
CC(C)(C)SC[C@@H]([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C(=O)[O-]	REAL300012000008	0	52	0.0	-27.66	405.20	6.09	-21.57
CCCN1N=CC(C[NH2+][C@H](CSC(C)(C)C)C(=O)[O-])=C1C	REAL300012000009	0	48	0.0	-25.88	382.28	8.94	-16.94
CC1=CC(C[NH2+][C@H](CSC(C)(C)C)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012000010	0	48	0.0	-30.49	387.84	10.36	-20.13
COC(=O)C1=CN(C)C(C[NH2+][C@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300012000011	0	46	0.0	-35.92	379.52	9.19	-26.73
COC1=CC=C(Br)C(C[NH2+][C@H](CSC(C)(C)C)C(=O)[O-])=C1O	REAL300012000012	0	44	0.0	-24.54	374.59	6.75	-17.79
CCCN1N=C(C)C=C1C[NH2+][C@H](CSC(C)(C)C)C(=O)[O-]	REAL300012000013	0	48	0.0	-26.66	382.25	8.85	-17.81
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1CC2C=CC1C2	REAL300012000015	0	41	0.0	-32.60	341.42	11.27	-21.33
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1CCCCC1	REAL300012000016	0	42	0.0	-30.41	344.91	11.08	-19.33
CCC1=CC=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])O1	REAL300012000017	0	39	0.0	-29.92	345.89	10.41	-19.51
CC1=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])OC=C1	REAL300012000018	0	36	0.0	-29.92	325.21	9.51	-20.41
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])N=C1	REAL300012000019	0	38	0.0	-31.12	338.16	9.50	-21.62
CC1=NC=CC=C1C[NH2+][C@@H](CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012000020	0	38	0.0	-28.13	332.27	9.43	-18.70
CC1=CC(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])=C(C)O1	REAL300012000021	0	39	0.0	-29.61	345.68	10.37	-19.24
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])O1	REAL300012000022	0	36	0.0	-30.80	326.56	9.71	-21.09
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CC=CC=C1	REAL300012000023	0	36	0.0	-28.20	322.57	10.71	-17.49
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CC=CS1	REAL300012000024	0	33	0.0	-29.32	314.12	9.87	-19.45
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012000025	0	36	0.0	-30.32	328.99	10.78	-19.54
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1CC=CCC1	REAL300012000026	0	40	0.0	-29.26	335.90	10.96	-18.30
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CC=CC=C1F	REAL300012000027	0	36	0.0	-30.71	327.15	10.76	-19.95
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012000028	0	36	0.0	-28.61	328.98	10.78	-17.83
CC1=CC=CC=C1C[NH2+][C@@H](CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012000029	0	39	0.0	-26.84	337.19	11.24	-15.60
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])C=C1	REAL300012000030	0	39	0.0	-28.64	345.30	11.43	-17.21
CC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])=C1	REAL300012000031	0	39	0.0	-28.40	345.30	11.42	-16.98
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CSC=C1	REAL300012000032	0	33	0.0	-27.96	312.56	9.66	-18.30
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CC=CN=C1	REAL300012000033	0	35	0.0	-30.07	318.73	8.97	-21.10
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CC=CO1	REAL300012000034	0	33	0.0	-30.76	304.66	8.88	-21.88
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CC=NC=C1	REAL300012000035	0	35	0.0	-30.70	317.45	8.95	-21.75
CN1C=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])C=N1	REAL300012000036	0	36	0.0	-32.78	324.55	8.48	-24.30
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=NC=CN1	REAL300012000037	0	33	0.0	-34.54	303.32	7.48	-27.06
CN1C=CN=C1C[NH2+][C@@H](CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012000038	0	36	0.0	-25.46	321.41	9.03	-16.43
CC(C)(C)C[NH2+][C@@H](CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012000039	0	38	0.0	-27.87	318.43	9.80	-18.07
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CN=CN=C1	REAL300012000040	0	34	0.0	-32.26	313.52	8.77	-23.49
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=NNC=C1	REAL300012000041	0	33	0.0	-32.64	303.81	7.15	-25.49
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CC=NN1	REAL300012000041	1	33	0.0	-30.73	302.47	7.08	-23.65
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CN=CS1	REAL300012000042	0	32	0.0	-30.11	308.65	8.00	-22.11
CN1C=NC=C1C[NH2+][C@@H](CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012000043	0	36	0.0	-29.47	324.04	9.90	-19.57
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CSC=N1	REAL300012000044	0	32	0.0	-31.13	306.36	7.68	-23.45
CC1=NNC=C1C[NH2+][C@@H](CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012000045	0	36	0.0	-29.91	323.40	7.82	-22.09
CC1=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])C=NN1	REAL300012000045	1	36	0.0	-31.21	321.74	7.68	-23.53
CN1N=CC=C1C[NH2+][C@@H](CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012000046	0	36	0.0	-29.10	323.20	8.29	-20.81
CC1=NN(C)C=C1C[NH2+][C@@H](CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012000047	0	39	0.0	-29.98	346.36	9.13	-20.85
CCN1C=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])C=N1	REAL300012000048	0	39	0.0	-33.57	348.24	9.43	-24.14
CN1C=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])N=N1	REAL300012000049	0	35	0.0	-37.94	318.56	7.18	-30.76
CN1C=CC(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])=N1	REAL300012000050	0	36	0.0	-32.78	326.77	8.46	-24.32
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=COC=N1	REAL300012000051	0	32	0.0	-34.13	297.99	5.31	-28.82
CCN1N=CC=C1C[NH2+][C@@H](CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012000052	0	39	0.0	-28.15	341.61	9.30	-18.85
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])N=N1	REAL300012000053	0	37	0.0	-37.35	335.41	8.46	-28.89
CN1N=NC=C1C[NH2+][C@@H](CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012000054	0	35	0.0	-32.46	318.64	7.13	-25.33
CC1=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])N(C)N=C1	REAL300012000055	0	39	0.0	-29.80	344.80	8.95	-20.85
C=CN1C=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])C=N1	REAL300012000056	0	37	0.0	-33.30	336.34	9.69	-23.61
CC1=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])C=NN1C	REAL300012000057	0	39	0.0	-32.03	342.17	8.97	-23.06
CC1=NN(C)C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])=C1	REAL300012000058	0	39	0.0	-29.18	345.14	8.87	-20.31
CC1=COC(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])=C1	REAL300012000059	0	36	0.0	-30.00	325.23	9.53	-20.47
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=NC=CS1	REAL300012000061	0	32	0.0	-26.22	307.36	7.86	-18.36
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1CC2CCC1C2	REAL300012000062	0	43	0.0	-30.06	347.69	11.35	-18.71
CC1=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])NN=C1	REAL300012000063	0	36	0.0	-30.31	323.88	7.73	-22.58
CC1=CNN=C1C[NH2+][C@@H](CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012000063	1	36	0.0	-31.77	324.72	7.78	-23.99
CC1=CN=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])N1C	REAL300012000064	0	39	0.0	-33.95	344.29	9.61	-24.34
CC1=CN=CC=C1C[NH2+][C@@H](CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012000065	0	38	0.0	-29.56	334.06	9.60	-19.96
CC1=NC=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])N1C	REAL300012000066	0	39	0.0	-28.79	342.25	9.64	-19.15
CC1=NC=CN=C1C[NH2+][C@@H](CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012000067	0	37	0.0	-26.19	327.74	7.45	-18.74
CCC1=CNC(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])=N1	REAL300012000068	0	39	0.0	-34.57	346.67	8.82	-25.75
CCN1C=NC(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])=C1	REAL300012000069	0	39	0.0	-34.10	347.79	10.92	-23.18
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CSN=C1	REAL300012000070	0	32	0.0	-30.97	308.40	8.40	-22.57
CCN1C=CC(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])=N1	REAL300012000071	0	39	0.0	-31.78	346.14	9.25	-22.53
O=C([O-])[C@H](CC1=CC=C(I)C=C1)[NH2+]CC1=CC=CNC1=O	REAL300012000073	0	36	0.0	-42.29	327.51	7.67	-34.62
CC1=CN(C)C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])=N1	REAL300012000074	0	39	0.0	-26.43	345.49	9.71	-16.72
CC1=C(C[NH2+][C@@H](CC2=CC=C(I)C=C2)C(=O)[O-])C=NO1	REAL300012000075	0	35	0.0	-32.55	319.12	9.00	-23.55
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(C)=C1	REAL300012000076	0	48	0.0	-30.98	371.15	12.14	-18.84
CC1=CC=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000077	0	48	0.0	-30.17	372.18	12.18	-17.99
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=CN=C3C=C2)=CC(C)=C1	REAL300012000078	0	47	0.0	-36.42	377.11	11.26	-25.16
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(C)(C)C)C=C2)=C1	REAL300012000079	0	54	0.0	-31.50	412.18	13.22	-18.28
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Br)O2)=CC(C)=C1	REAL300012000080	0	39	0.0	-31.63	338.42	9.77	-21.86
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000081	0	52	0.0	-37.23	414.42	12.69	-24.54
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OC(F)F	REAL300012000082	0	50	0.0	-38.46	404.48	10.38	-28.08
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OC	REAL300012000083	0	53	0.0	-36.14	416.58	11.02	-25.12
CCCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000084	0	58	0.0	-34.50	451.68	13.46	-21.04
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)=C1	REAL300012000085	0	51	0.0	-37.52	424.42	13.47	-24.05
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)=C1	REAL300012000086	0	51	0.0	-37.84	424.41	13.48	-24.36
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C)=C2C)=C1	REAL300012000087	0	48	0.0	-30.31	367.78	12.05	-18.26
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C)C(C)=C2)=CC(C)=C1	REAL300012000088	0	48	0.0	-31.58	374.39	12.10	-19.48
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1Br	REAL300012000089	0	46	0.0	-34.03	385.90	10.86	-23.17
CCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC	REAL300012000090	0	59	0.0	-35.84	459.58	12.60	-23.24
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC	REAL300012000091	0	56	0.0	-35.81	438.08	11.82	-23.99
C=CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC	REAL300012000092	0	54	0.0	-36.16	429.48	11.60	-24.56
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)=C1	REAL300012000093	0	49	0.0	-32.71	412.95	13.32	-19.39
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)=CC(C)=C1	REAL300012000094	0	49	0.0	-32.21	413.10	13.36	-18.85
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)=C1	REAL300012000095	0	49	0.0	-32.65	420.40	14.17	-18.48
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300012000096	0	52	0.0	-34.91	420.23	12.57	-22.34
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)=C1	REAL300012000097	0	51	0.0	-37.03	420.15	14.04	-22.99
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)=CC(C)=C1	REAL300012000098	1	48	0.0	-31.41	407.23	11.76	-19.65
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(SC(F)(F)F)C=C2)=C1	REAL300012000099	0	46	0.0	-33.74	392.38	12.36	-21.38
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(Cl)=C1	REAL300012000100	0	46	0.0	-35.39	377.96	10.61	-24.78
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300012000101	0	46	0.0	-34.20	381.97	10.69	-23.51
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C#N)=C2)=CC(C)=C1	REAL300012000102	0	43	0.0	-40.59	356.86	11.28	-29.31
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC3=CC=CC=C23)=CC(C)=C1	REAL300012000103	0	45	0.0	-32.82	372.88	12.28	-20.54
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3OC2)=C1	REAL300012000104	0	48	0.0	-35.33	381.84	11.36	-23.97
CC1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)O2)C=C1	REAL300012000105	0	52	0.0	-32.21	417.63	13.48	-18.73
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OCC3CCCO3)C=C2)=CC(C)=C1	REAL300012000106	0	57	0.0	-37.62	444.11	11.48	-26.14
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)S2)=CC(C)=C1	REAL300012000107	0	39	0.0	-31.57	343.25	10.62	-20.95
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)=C1	REAL300012000108	0	49	0.0	-33.11	410.08	13.71	-19.40
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC3=CC=CN=C32)=CC(C)=C1	REAL300012000109	0	47	0.0	-35.34	375.57	11.39	-23.95
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300012000110	0	49	0.0	-40.83	394.15	12.07	-28.76
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N3C=NC=N3)C=C2)=CC(C)=C1	REAL300012000111	0	48	0.0	-42.94	389.08	13.39	-29.55
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)=CC(C)=C1	REAL300012000112	0	49	0.0	-32.99	420.51	14.17	-18.82
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)=CC(C)=C1	REAL300012000113	0	49	0.0	-33.91	412.97	13.82	-20.09
CCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)O1	REAL300012000114	0	45	0.0	-30.86	360.13	10.64	-20.22
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(F)=CC=C2F)=CC(C)=C1	REAL300012000115	0	42	0.0	-33.51	347.96	11.00	-22.51
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)=CC(C)=C1	REAL300012000116	0	45	0.0	-30.78	384.51	12.29	-18.49
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)C=C2Cl)=CC(C)=C1	REAL300012000117	0	42	0.0	-35.28	354.88	11.39	-23.89
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)C(Cl)=C2)=CC(C)=C1	REAL300012000118	0	42	0.0	-35.26	358.57	11.46	-23.80
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)=CC(C)=C1	REAL300012000119	0	45	0.0	-36.71	380.30	11.95	-24.76
CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000120	0	49	0.0	-34.39	387.34	11.12	-23.27
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C)C(F)=C2)=CC(C)=C1	REAL300012000121	0	45	0.0	-35.64	362.70	11.61	-24.03
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC=C2Cl)=CC(C)=C1	REAL300012000122	0	42	0.0	-31.42	365.40	11.86	-19.56
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(F)=C(F)C(F)=C2)=CC(C)=C1	REAL300012000123	0	42	0.0	-40.33	354.80	11.05	-29.28
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)=C1	REAL300012000124	0	45	0.0	-53.19	377.98	11.69	-41.50
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C(F)(F)F)=CC=C2F)=CC(C)=C1	REAL300012000125	0	45	0.0	-31.93	379.32	11.97	-19.96
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(Cl)=C1OC	REAL300012000126	0	50	0.0	-37.71	410.63	10.69	-27.02
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3S2)=CC(C)=C1	REAL300012000127	0	45	0.0	-32.01	373.18	12.41	-19.60
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(F)=C2)=C1	REAL300012000128	0	42	0.0	-35.24	358.57	11.47	-23.77
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)=CC(C)=C1	REAL300012000129	0	49	0.0	-32.11	420.56	14.19	-17.92
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CN=C2Cl)=CC(C)=C1	REAL300012000130	0	41	0.0	-31.29	340.61	9.43	-21.86
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)=C1	REAL300012000131	0	55	0.0	-37.66	442.13	12.41	-25.25
COCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000132	0	53	0.0	-36.23	420.96	10.40	-25.83
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1Cl	REAL300012000133	0	46	0.0	-34.26	381.51	10.75	-23.51
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(C3=CC=CC=N3)=N2)=C1	REAL300012000134	1	47	0.0	-32.93	396.24	9.83	-23.10
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(NC(=O)OC(C)(C)C)N=C2)=C1	REAL300012000135	0	58	0.0	-37.94	453.67	10.82	-27.12
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)=CC(C)=C1	REAL300012000136	0	49	0.0	-37.11	406.92	11.59	-25.52
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OCCO3)=CC(C)=C1	REAL300012000137	0	48	0.0	-34.08	378.98	10.10	-23.98
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OCCCO3)=CC(C)=C1	REAL300012000138	0	51	0.0	-33.64	396.17	10.90	-22.74
CCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000139	0	52	0.0	-34.20	408.84	11.92	-22.28
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)=C1	REAL300012000140	0	49	0.0	-32.31	402.02	13.48	-18.83
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OC3CCCC3)=C2)=CC(C)=C1	REAL300012000141	0	56	0.0	-34.82	430.65	13.09	-21.73
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OC(C)C)=C2)=CC(C)=C1	REAL300012000142	0	52	0.0	-35.01	405.12	11.73	-23.28
CC1=CC=C(C2=NC(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)=CS2)C=C1	REAL300012000143	1	51	0.0	-30.92	422.04	12.33	-18.59
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(C(C)C)=N2)=C1	REAL300012000144	1	47	0.0	-29.21	383.74	9.94	-19.27
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)=CC(C)=C1	REAL300012000145	1	52	0.0	-32.11	432.41	11.21	-20.90
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(C(C)(C)C)=N2)=C1	REAL300012000146	1	50	0.0	-29.09	402.68	10.45	-18.64
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(C3=CSC=C3)=N2)=CC(C)=C1	REAL300012000147	1	45	0.0	-30.41	391.86	10.64	-19.77
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)=CC(C)=C1	REAL300012000148	0	49	0.0	-32.79	410.24	13.75	-19.04
CC1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)S2)C=C1	REAL300012000149	0	52	0.0	-32.13	425.07	14.32	-17.81
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000150	0	46	0.0	-35.22	398.05	11.31	-23.91
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Br)=CC=C2Cl)=CC(C)=C1	REAL300012000151	0	42	0.0	-31.30	369.96	11.97	-19.33
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC=C2Br)=CC(C)=C1	REAL300012000152	0	42	0.0	-30.76	368.95	11.95	-18.81
CCOC1=C(OC)C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC	REAL300012000153	0	57	0.0	-39.44	449.56	10.93	-28.51
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(Cl)C(C)=C2)=CC(C)=C1	REAL300012000154	0	44	0.0	-38.38	366.49	10.13	-28.25
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC3=CC=CN=C3)C(C)=C2)=C1	REAL300012000155	0	55	0.0	-35.73	439.36	12.68	-23.05
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)S2)C=C1	REAL300012000156	0	51	0.0	-34.60	422.25	12.57	-22.03
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)=CC(C)=C1	REAL300012000157	0	47	0.0	-33.33	392.23	11.90	-21.43
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)=C1	REAL300012000158	0	49	0.0	-34.16	410.72	12.96	-21.20
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C(F)C=C3C)O2)=CC(C)=C1	REAL300012000159	0	52	0.0	-32.74	423.17	13.55	-19.19
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)O2)C=C1	REAL300012000160	0	55	0.0	-32.09	439.11	14.25	-17.84
COC1=CC=C2OC(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)=CC2=C1	REAL300012000161	0	49	0.0	-34.72	393.33	10.71	-24.01
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC=CC2=CC=C(Cl)C=C2)=C1	REAL300012000162	0	46	0.0	-35.34	383.75	12.72	-22.62
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=COC3=CC=CC=C23)=CC(C)=C1	REAL300012000163	0	45	0.0	-36.02	363.74	11.25	-24.77
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)=C1	REAL300012000164	0	50	0.0	-35.15	403.42	12.66	-22.49
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C)C(Br)=C2)=CC(C)=C1	REAL300012000165	0	45	0.0	-34.60	375.47	12.08	-22.52
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC=CC2=CC=C(F)C=C2F)=C1	REAL300012000166	0	46	0.0	-37.75	378.75	12.27	-25.48
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Br)C(C)=C2)=CC(C)=C1	REAL300012000167	0	45	0.0	-33.83	375.47	12.08	-21.75
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300012000168	1	49	0.0	-32.28	394.87	12.02	-20.26
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(Cl)SC=C2)=CC(C)=C1	REAL300012000169	0	39	0.0	-28.53	339.97	10.39	-18.14
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC3=C2OCC3)=CC(C)=C1	REAL300012000170	0	47	0.0	-32.10	388.49	11.22	-20.88
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=C(F)C=CC=C3N2)=C1	REAL300012000171	0	46	0.0	-38.31	374.37	10.92	-27.39
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=C(F)C=C3N2)=C1	REAL300012000172	0	46	0.0	-36.11	374.28	10.91	-25.20
CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300012000173	0	48	0.0	-31.16	385.00	8.50	-22.66
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=CN=C3C(C)=C2)=C1	REAL300012000174	0	50	0.0	-37.98	397.21	12.09	-25.89
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(C)=C2)=CC(C)=C1	REAL300012000175	0	45	0.0	-33.82	371.44	12.00	-21.82
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C3C=CSC3=C2)=CC(C)=C1	REAL300012000176	0	44	0.0	-37.04	367.85	10.38	-26.66
CCCC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000177	0	51	0.0	-31.36	400.37	13.11	-18.25
CCN(CC)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1F	REAL300012000178	0	56	0.0	-33.69	435.25	11.96	-21.73
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C(SC)C=C1OC	REAL300012000179	0	54	0.0	-34.28	430.34	11.03	-23.25
COC1=CC=C2N=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)SC2=C1	REAL300012000180	0	48	0.0	-34.80	397.63	9.71	-25.09
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC3=CC=C(Cl)C=C3N2C)=C1	REAL300012000181	0	48	0.0	-32.47	399.96	11.78	-20.69
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1C#N	REAL300012000182	0	47	0.0	-39.34	385.69	10.61	-28.73
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(SC(F)F)C=C2)=C1	REAL300012000183	0	46	0.0	-34.76	385.64	12.13	-22.63
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)=CC(C)=C1	REAL300012000184	0	46	0.0	-37.22	381.46	10.55	-26.67
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)N=C1	REAL300012000185	0	48	0.0	-31.17	382.39	9.27	-21.90
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(F)(F)F)C=C2C)=CC(C)=C1	REAL300012000186	0	48	0.0	-33.96	389.83	12.53	-21.43
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC(Cl)=C1OC	REAL300012000187	0	50	0.0	-53.46	411.22	10.44	-43.02
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OCC(C)C	REAL300012000188	0	59	0.0	-35.70	458.18	12.50	-23.20
CCCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OC	REAL300012000189	0	56	0.0	-35.91	438.08	11.82	-24.09
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Br)S2)=CC(C)=C1	REAL300012000190	0	39	0.0	-31.51	347.88	10.74	-20.77
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC(Cl)=C1OC	REAL300012000191	0	53	0.0	-53.18	433.07	11.37	-41.81
C=CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000192	0	50	0.0	-34.50	400.24	11.72	-22.78
CCOC1=C(Cl)C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC	REAL300012000193	0	53	0.0	-53.29	433.07	11.40	-41.89
CCCCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OC	REAL300012000194	0	59	0.0	-35.89	459.58	12.60	-23.29
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC(F)F	REAL300012000195	0	50	0.0	-34.25	404.48	10.39	-23.86
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OC(F)F	REAL300012000196	0	53	0.0	-38.27	426.34	11.30	-26.97
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C)=C(OC(F)F)C(C)=C2)=CC(C)=C1	REAL300012000197	0	52	0.0	-35.36	413.29	11.89	-23.47
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC2=C1OCCO2	REAL300012000198	0	52	0.0	-38.79	409.68	9.92	-28.87
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C)=C(C)C=C2C)=CC(C)=C1	REAL300012000199	0	51	0.0	-30.32	389.89	12.64	-17.68
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3)S2)=C1	REAL300012000200	0	49	0.0	-32.13	403.68	13.65	-18.48
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)=C1	REAL300012000201	0	49	0.0	-35.16	410.93	12.98	-22.18
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2CCC(C)CC2)=CC(C)=C1	REAL300012000202	0	51	0.0	-47.51	374.26	11.57	-35.94
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC(C)CCC2=CC=CC=C2)=CC(C)=C1	REAL300012000203	0	54	0.0	-33.37	415.18	13.77	-19.60
CCC1CCCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C1	REAL300012000204	0	54	0.0	-31.58	389.21	12.21	-19.37
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC3=C(CC(C)(C)CC3)S2)=CC(C)=C1	REAL300012000205	0	54	0.0	-32.80	420.21	11.56	-21.24
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC(C)=C(C)C=C3O2)=CC(C)=C1	REAL300012000206	0	51	0.0	-32.71	402.87	12.65	-20.06
CCCC1CCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012000207	0	57	0.0	-30.90	417.42	13.24	-17.66
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2CCCCC2C)=CC(C)=C1	REAL300012000208	0	51	0.0	-47.36	364.14	11.21	-36.15
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)=C1	REAL300012000209	0	49	0.0	-39.20	391.94	13.28	-25.92
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)=CC(C)=C1	REAL300012000210	0	49	0.0	-33.11	404.65	12.92	-20.19
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Cl)=C3OCCOC3=C2)=CC(C)=C1	REAL300012000211	0	48	0.0	-36.19	396.45	10.59	-25.60
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)=C1	REAL300012000212	0	55	0.0	-40.45	442.87	15.57	-24.88
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)=CC(C)=C1	REAL300012000213	0	51	0.0	-36.58	414.86	11.38	-25.20
COC1=CC=C(C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000214	0	49	0.0	-31.41	385.61	10.91	-20.50
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1F	REAL300012000215	0	46	0.0	-35.57	371.71	10.27	-25.30
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2CCC(C(F)(F)F)CC2)=CC(C)=C1	REAL300012000216	0	51	0.0	-51.99	390.80	11.88	-40.11
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2CCOC(C(C)C)C2)=CC(C)=C1	REAL300012000217	0	55	0.0	-33.69	400.50	10.72	-22.97
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2CCC(C)(C)CC2)=CC(C)=C1	REAL300012000218	0	54	0.0	-47.85	387.33	11.84	-36.01
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)=CC(C)=C1	REAL300012000219	0	49	0.0	-38.21	413.13	11.66	-26.55
CCSC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000220	0	49	0.0	-34.40	397.66	12.75	-21.65
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(O)C=CC(Cl)=C2F)=C1	REAL300012000221	1	43	0.0	-37.18	366.84	8.66	-28.52
CCN1N=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C2=CC=CC=C21	REAL300012000222	0	51	0.0	-31.49	407.73	11.68	-19.81
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000223	0	52	0.0	-34.48	408.68	11.89	-22.59
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3O2)=CC(C)=C1	REAL300012000224	0	45	0.0	-32.85	363.86	11.42	-21.43
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3)O2)=C1	REAL300012000225	0	49	0.0	-32.73	396.04	12.75	-19.98
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OC(C)C	REAL300012000226	0	56	0.0	-35.33	434.67	11.70	-23.63
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OCC	REAL300012000227	0	59	0.0	-35.70	459.94	12.74	-22.96
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012000228	0	47	0.0	-37.00	380.19	12.10	-24.90
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC(C)C)C=C2)=C1	REAL300012000229	0	52	0.0	-34.64	405.12	11.73	-22.91
CCCCCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000230	0	64	0.0	-34.38	494.68	15.02	-19.36
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)=CC(C)=C1	REAL300012000231	0	63	0.0	-32.57	468.82	15.26	-17.31
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)C(C)=C2)=CC(C)=C1	REAL300012000232	0	45	0.0	-34.69	362.70	11.60	-23.09
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=C3NC=CC3=CC=C2)=C1	REAL300012000233	0	46	0.0	-32.88	367.02	10.87	-22.01
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(Br)C=CS2)=CC(C)=C1	REAL300012000234	0	39	0.0	-30.88	345.64	10.53	-20.35
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(F)=CC=C2Br)=CC(C)=C1	REAL300012000235	0	42	0.0	-31.16	358.63	11.51	-19.65
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(CC(C)C)C=C2)=CC(C)=C1	REAL300012000236	0	54	0.0	-31.44	417.12	13.58	-17.86
CC1=CC=C(C2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)=C2)C=C1	REAL300012000237	0	55	0.0	-33.33	431.60	14.98	-18.35
COC1=CC=C(Br)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000238	0	46	0.0	-29.19	376.63	10.62	-18.57
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1[N+](=O)[O-]	REAL300012000239	0	48	0.0	-47.92	391.51	11.63	-36.29
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC(Cl)=C2)=CC(C)=C1	REAL300012000240	0	42	0.0	-34.01	369.44	11.91	-22.10
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(F)=CC(Cl)=C2)=CC(C)=C1	REAL300012000241	0	42	0.0	-51.09	355.66	11.19	-39.90
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Br)=CO2)=CC(C)=C1	REAL300012000242	0	39	0.0	-33.06	338.44	9.68	-23.38
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)=C1	REAL300012000243	0	55	0.0	-33.94	432.03	14.98	-18.96
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OC(F)F)=C2)=CC(C)=C1	REAL300012000244	0	46	0.0	-36.20	375.24	10.48	-25.72
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OCC	REAL300012000245	0	56	0.0	-35.98	438.44	11.94	-24.04
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=C2F)=CC(C)=C1	REAL300012000246	0	42	0.0	-36.82	358.02	11.43	-25.39
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)=CC(C)=C1	REAL300012000247	0	45	0.0	-35.90	387.87	12.31	-23.59
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)C=C2Br)=CC(C)=C1	REAL300012000248	0	42	0.0	-34.60	358.50	11.49	-23.11
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)=CC(C)=C1	REAL300012000249	0	46	0.0	-35.79	381.98	10.69	-25.10
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC=C2F)=CC(C)=C1	REAL300012000250	0	42	0.0	-33.08	358.28	11.44	-21.64
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000251	0	56	0.0	-34.60	444.02	13.93	-20.67
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(F)=CC(F)=C2)=CC(C)=C1	REAL300012000252	0	42	0.0	-35.21	348.80	11.04	-24.17
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(Cl)=C2F)=C1	REAL300012000253	0	42	0.0	-38.82	357.41	11.40	-27.42
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2F)=C1	REAL300012000254	0	42	0.0	-40.41	347.52	10.97	-29.44
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC3=CC=CC=C3N2C)=CC(C)=C1	REAL300012000255	0	48	0.0	-32.48	383.23	11.26	-21.22
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=N1	REAL300012000256	0	45	0.0	-35.30	363.02	7.59	-27.71
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3OCCC3=C2)=CC(C)=C1	REAL300012000257	0	47	0.0	-35.08	371.87	10.73	-24.35
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(Br)=C2)=CC(C)=C1	REAL300012000258	0	39	0.0	-32.80	347.46	10.55	-22.25
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300012000259	0	52	0.0	-33.33	410.20	14.30	-19.03
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N3CCCC3)N=C2)=CC(C)=C1	REAL300012000260	0	53	0.0	-34.21	409.91	10.81	-23.40
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=C3C=CNC3=CC=C2)=C1	REAL300012000261	0	46	0.0	-32.35	367.16	10.92	-21.43
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Br)C(F)=C2)=C1	REAL300012000262	0	42	0.0	-35.26	362.98	11.57	-23.69
CC1=NC(C)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300012000263	0	44	0.0	-32.99	361.84	9.33	-23.66
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)=C1	REAL300012000264	0	51	0.0	-32.43	407.71	12.78	-19.65
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300012000265	0	51	0.0	-37.10	405.21	12.54	-24.56
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)=C1	REAL300012000266	0	51	0.0	-36.09	405.40	12.55	-23.54
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)=C1	REAL300012000267	1	59	0.0	-48.13	441.81	9.33	-38.80
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)=C1	REAL300012000268	0	51	0.0	-38.18	416.45	9.45	-28.73
CNC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000269	0	49	0.0	-43.56	392.30	9.15	-34.41
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)=C1	REAL300012000270	0	49	0.0	-39.52	401.22	12.18	-27.34
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)=C1	REAL300012000271	0	49	0.0	-38.89	411.54	12.63	-26.26
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)=C1	REAL300012000272	0	49	0.0	-37.71	406.75	11.56	-26.15
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3C=C2)=CC(C)=C1	REAL300012000273	0	48	0.0	-34.29	381.91	13.12	-21.17
COC1=C2OC(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)=CC2=CC=C1	REAL300012000274	0	49	0.0	-34.76	393.21	10.68	-24.08
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(C)C)C([N+](=O)[O-])=C2)=C1	REAL300012000275	0	53	0.0	-42.62	418.05	13.04	-29.58
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OCC(C)C	REAL300012000276	0	62	0.0	-35.52	480.04	13.42	-22.10
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Br)=CC=C2F)=CC(C)=C1	REAL300012000277	0	42	0.0	-32.95	362.85	11.54	-21.41
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Br)C=C2F)=CC(C)=C1	REAL300012000278	0	42	0.0	-36.78	362.59	11.53	-25.25
COC1=CC(OC)=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000279	0	50	0.0	-34.55	394.79	9.48	-25.07
COC1=CC2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)C=C2C=C1	REAL300012000280	0	52	0.0	-35.16	411.44	12.45	-22.71
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Br)=CS2)=CC(C)=C1	REAL300012000282	0	39	0.0	-32.36	347.67	10.63	-21.73
CCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OCC	REAL300012000283	0	62	0.0	-35.73	481.43	13.52	-22.21
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(CSC(F)F)O2)=C1	REAL300012000284	0	46	0.0	-32.97	396.51	11.48	-21.49
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3NC2=O)=CC(C)=C1	REAL300012000285	0	48	0.0	-31.37	386.33	9.96	-21.41
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)C(Br)=C2)=CC(C)=C1	REAL300012000287	0	42	0.0	-35.05	362.98	11.56	-23.49
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N3CCCCC3)C=C2)=CC(C)=C1	REAL300012000288	0	57	0.0	-32.71	428.73	12.15	-20.56
CCCCCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000289	0	61	0.0	-34.13	473.33	14.27	-19.86
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1SC	REAL300012000290	0	50	0.0	-35.79	404.89	11.25	-24.54
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OCCCC#N)=C2)=C1	REAL300012000291	0	53	0.0	-41.47	429.69	12.44	-29.03
CCCCCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OC	REAL300012000292	0	62	0.0	-35.88	481.07	13.38	-22.50
CCC(C)OC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OC	REAL300012000293	0	59	0.0	-35.49	455.44	12.49	-23.00
CCCCCCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000294	0	64	0.0	-34.06	494.83	15.05	-19.01
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OCCCC#N	REAL300012000295	0	57	0.0	-46.35	458.93	12.33	-34.02
C=C(C)COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OC	REAL300012000296	0	57	0.0	-36.73	448.90	12.37	-24.36
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OCCC(C)C	REAL300012000297	0	62	0.0	-35.94	477.03	13.12	-22.82
C=CCC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC(OC)=C1O	REAL300012000298	0	54	0.0	-35.85	430.84	10.05	-25.80
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)=CC(C)=C1	REAL300012000299	0	49	0.0	-37.16	395.38	10.83	-26.33
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C3=CC=CC=C3)N=N2)=CC(C)=C1	REAL300012000300	1	48	0.0	-34.65	388.89	10.73	-23.92
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)=CC(C)=C1	REAL300012000301	0	48	0.0	-36.12	399.13	11.66	-24.46
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)=CC(C)=C1	REAL300012000302	0	55	0.0	-35.20	430.03	10.03	-25.17
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3C(=C2)N=CN3C)=C1	REAL300012000303	0	48	0.0	-40.19	384.37	12.25	-27.94
C=CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1Cl	REAL300012000304	0	50	0.0	-34.13	416.27	12.26	-21.87
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)=CC(C)=C1	REAL300012000305	0	48	0.0	-34.22	401.01	11.93	-22.29
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C2OC(C)CC2=C1	REAL300012000306	0	54	0.0	-34.19	422.42	10.77	-23.42
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3OC(C)(C)CC3=C2)=CC(C)=C1	REAL300012000307	0	53	0.0	-34.95	413.20	12.11	-22.84
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=COC(C3=CC=CC=C3)=N2)=CC(C)=C1	REAL300012000308	1	48	0.0	-32.53	392.64	9.34	-23.19
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(C3=CC=CS3)=N2)=CC(C)=C1	REAL300012000309	1	45	0.0	-30.62	392.46	10.73	-19.89
CC1=CC=C(F)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000310	0	45	0.0	-28.84	361.68	11.63	-17.21
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(F)=CC=C2C)=CC(C)=C1	REAL300012000311	0	45	0.0	-30.93	357.17	11.59	-19.34
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)=C1	REAL300012000312	0	45	0.0	-52.48	388.30	12.13	-40.35
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Br)C=C2Cl)=CC(C)=C1	REAL300012000313	0	42	0.0	-34.60	369.78	11.93	-22.67
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(Br)=C1	REAL300012000314	0	45	0.0	-27.87	368.57	12.00	-15.87
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OCC(C)C)C=C2)=C1	REAL300012000315	0	55	0.0	-34.35	428.78	12.59	-21.76
COCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000316	0	53	0.0	-36.97	420.81	10.36	-26.61
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2CCCC(C)(C)C2)=CC(C)=C1	REAL300012000317	0	54	0.0	-31.64	390.67	12.10	-19.54
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)=CC(C)=C1	REAL300012000318	0	46	0.0	-36.19	391.26	11.02	-25.17
COC1=CC2=C(C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1)OCO2	REAL300012000319	0	49	0.0	-34.02	390.22	8.90	-25.12
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OCC(C)C)=C2)=CC(C)=C1	REAL300012000320	0	55	0.0	-33.95	428.94	12.62	-21.33
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=C2C)=CC(C)=C1	REAL300012000321	0	45	0.0	-32.30	367.49	12.03	-20.27
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC=CC2=CC=C(F)C=C2)=C1	REAL300012000322	0	46	0.0	-36.12	373.43	12.27	-23.85
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)N=C2)=CC(C)=C1	REAL300012000323	0	41	0.0	-36.07	347.69	9.54	-26.53
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=CC(Br)=C2)=C1	REAL300012000324	0	41	0.0	-34.94	352.15	9.72	-25.22
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3C(=C2)N=NN3C)=CC(C)=C1	REAL300012000325	0	47	0.0	-38.67	379.96	9.35	-29.32
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2CCCCCC2)=C1	REAL300012000326	0	51	0.0	-31.10	368.12	11.67	-19.43
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OC(C)(C)C3)=CC(C)=C1	REAL300012000327	0	53	0.0	-33.42	413.20	12.12	-21.30
COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300012000328	0	45	0.0	-31.30	363.15	7.56	-23.74
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)=CC(C)=C1	REAL300012000329	0	49	0.0	-39.90	394.34	12.09	-27.81
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C(C)C)N=C2)=CC(C)=C1	REAL300012000330	0	48	0.0	-33.45	379.00	10.09	-23.36
CC1=C(Br)SC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000331	0	42	0.0	-31.42	367.47	11.33	-20.09
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=C(C)N=C3C=C2)=CC(C)=C1	REAL300012000332	0	50	0.0	-39.61	398.50	11.84	-27.77
CC1=CC(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)C=C2)=CC(C)=C1	REAL300012000333	0	58	0.0	-34.70	452.85	15.61	-19.09
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N3C=NC=N3)C(C)=C2)=CC(C)=C1	REAL300012000334	0	51	0.0	-40.63	410.03	14.44	-26.19
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC(F)=CC=C3O2)=C1	REAL300012000335	0	45	0.0	-34.18	370.27	11.49	-22.69
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OCC(F)F)C=C2)=C1	REAL300012000336	0	49	0.0	-40.07	400.19	11.41	-28.66
COCC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000337	0	49	0.0	-32.70	391.04	10.62	-22.08
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000338	0	52	0.0	-37.58	431.95	13.17	-24.41
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)=CC(C)=C1	REAL300012000339	0	53	0.0	-35.84	436.05	15.00	-20.84
COC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC	REAL300012000340	0	53	0.0	-34.50	410.17	10.63	-23.87
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC3=CC(Cl)=CC=C3N2C)=C1	REAL300012000341	0	48	0.0	-40.65	399.21	11.78	-28.87
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)=C1	REAL300012000342	0	52	0.0	-36.30	426.64	12.64	-23.66
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC3=C(CC(C)CC3)S2)=CC(C)=C1	REAL300012000343	0	51	0.0	-32.97	405.30	11.26	-21.71
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2CCC(C(C)(C)C)CC2)=CC(C)=C1	REAL300012000344	0	60	0.0	-29.95	417.65	12.94	-17.01
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000345	0	56	0.0	-33.69	438.31	13.67	-20.02
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C(C)O1	REAL300012000346	0	45	0.0	-31.19	357.71	10.48	-20.71
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000347	0	55	0.0	-35.50	433.50	11.91	-23.59
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OCC3CC3)C=C2)=CC(C)=C1	REAL300012000348	0	53	0.0	-34.77	418.82	12.67	-22.10
COC1=CC(Cl)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1Cl	REAL300012000349	0	46	0.0	-32.80	394.18	11.20	-21.60
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(CC(C)C)S2)=C1	REAL300012000350	0	50	0.0	-32.98	402.38	10.87	-22.11
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C3=CC=CS3)S2)=CC(C)=C1	REAL300012000351	0	45	0.0	-33.63	392.88	11.00	-22.63
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C3=CSC=C3)S2)=CC(C)=C1	REAL300012000352	0	45	0.0	-33.92	392.14	10.88	-23.04
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)S2)O1	REAL300012000353	0	48	0.0	-34.91	405.69	10.83	-24.08
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Br)C=C2C)=CC(C)=C1	REAL300012000354	0	45	0.0	-32.33	372.06	12.13	-20.20
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(Br)=C2)=CC(C)=C1	REAL300012000355	0	42	0.0	-34.29	372.10	11.97	-22.32
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)=C1	REAL300012000356	0	51	0.0	-39.08	410.94	12.58	-26.50
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(Cl)OC3=CC=CC=C32)=CC(C)=C1	REAL300012000357	0	45	0.0	-30.78	379.91	11.82	-18.96
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=C2Br)=CC(C)=C1	REAL300012000358	0	42	0.0	-33.95	368.82	11.93	-22.02
COC1=C(Br)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000359	0	46	0.0	-36.94	385.64	10.92	-26.02
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC3=C(CCC3)S2)=C1	REAL300012000360	0	45	0.0	-33.95	366.60	10.07	-23.88
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000361	0	46	0.0	-34.23	365.48	10.20	-24.03
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)=C1	REAL300012000362	0	49	0.0	-33.17	402.63	12.86	-20.31
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C(C)(C)C)S2)=C1	REAL300012000363	0	50	0.0	-32.84	402.82	10.69	-22.15
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3OCCOC3=C2)=C1	REAL300012000364	0	48	0.0	-36.45	380.48	10.06	-26.39
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(Br)=C2)=C1	REAL300012000365	0	42	0.0	-34.71	357.27	11.51	-23.20
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(Cl)=C2)=C1	REAL300012000366	0	42	0.0	-34.56	352.70	11.41	-23.15
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300012000367	0	49	0.0	-38.51	394.81	12.11	-26.40
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(CC3=CC=CC=C3Cl)N=C2)=CC(C)=C1	REAL300012000368	0	52	0.0	-39.85	432.84	13.04	-26.81
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C(C)(C)C)N=C2)=CC(C)=C1	REAL300012000369	0	51	0.0	-36.13	398.74	10.72	-25.41
CC1=CC(C)=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000370	0	48	0.0	-31.45	378.79	12.22	-19.23
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(CO)O2)=C1	REAL300012000371	0	43	0.0	-33.69	350.05	6.52	-27.17
CC(=O)NC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000372	0	49	0.0	-40.92	392.41	9.77	-31.15
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC=C2Cl)=CC(C)=C1	REAL300012000373	0	42	0.0	-28.19	345.42	11.28	-16.91
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300012000374	0	44	0.0	-44.13	364.19	11.57	-32.56
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C([N+](=O)[O-])C=C2)=CC(C)=C1	REAL300012000375	0	44	0.0	-41.63	364.20	11.57	-30.06
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N(C)C)C=C2)=C1	REAL300012000376	0	50	0.0	-32.89	388.34	11.29	-21.60
CCN(CC)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000377	0	56	0.0	-31.42	431.12	13.21	-18.21
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Br)C=C2)=C1	REAL300012000378	0	42	0.0	-34.48	357.12	11.49	-22.99
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=C2)=C1	REAL300012000379	0	42	0.0	-34.49	352.55	11.39	-23.10
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC(OC)=C1OC	REAL300012000380	0	54	0.0	-39.53	427.70	9.98	-29.55
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)C=C2)=C1	REAL300012000381	0	42	0.0	-35.22	342.23	10.93	-24.29
COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1OC	REAL300012000382	0	50	0.0	-37.21	394.43	10.13	-27.08
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=C2Cl)=CC(C)=C1	REAL300012000383	0	42	0.0	-34.59	365.21	11.82	-22.77
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N3CCOCC3)C=C2)=CC(C)=C1	REAL300012000384	0	55	0.0	-33.84	419.98	9.73	-24.11
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC	REAL300012000385	0	50	0.0	-36.21	394.72	10.09	-26.12
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(OC)=C1	REAL300012000386	0	50	0.0	-34.52	393.31	9.53	-24.99
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300012000387	0	45	0.0	-36.26	374.52	11.87	-24.39
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)C=C2F)=CC(C)=C1	REAL300012000388	0	42	0.0	-37.49	347.70	10.97	-26.52
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(Cl)=C2Cl)=C1	REAL300012000389	0	42	0.0	-36.42	363.60	11.78	-24.64
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(Cl)=C2)=CC(C)=C1	REAL300012000390	0	42	0.0	-34.41	367.89	11.87	-22.54
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)F)C=C2)=C1	REAL300012000391	0	46	0.0	-35.44	375.08	10.45	-24.99
CCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000392	0	55	0.0	-34.53	430.18	12.67	-21.86
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OCCC(C)C)C=C2)=C1	REAL300012000393	0	58	0.0	-34.44	447.74	13.20	-21.24
CCCCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000394	0	61	0.0	-34.46	473.18	14.24	-20.22
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)=C1	REAL300012000395	0	53	0.0	-33.56	424.39	13.75	-19.81
COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000396	0	46	0.0	-34.47	365.49	10.20	-24.27
CC(=CC1=CC=CC=C1)C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000397	0	49	0.0	-48.43	379.75	12.38	-36.05
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC	REAL300012000398	0	53	0.0	-35.97	416.58	11.02	-24.95
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(C)C)C=C2)=C1	REAL300012000399	0	51	0.0	-32.14	396.04	12.80	-19.34
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C(F)(F)F)=C2)=CC(C)=C1	REAL300012000400	0	45	0.0	-36.87	374.69	11.89	-24.98
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(OC)=C1OC	REAL300012000401	0	54	0.0	-38.21	427.99	10.08	-28.13
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000402	0	49	0.0	-34.71	387.18	11.09	-23.62
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC=C2F)=CC(C)=C1	REAL300012000403	0	42	0.0	-29.16	340.23	10.96	-18.20
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2)=C1	REAL300012000404	0	42	0.0	-35.58	342.38	10.97	-24.61
COC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000405	0	46	0.0	-31.77	364.21	10.24	-21.53
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)SC=C1	REAL300012000406	0	42	0.0	-29.52	344.75	10.54	-18.98
COC1=CC=C(Br)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000407	0	46	0.0	-30.99	385.49	10.87	-20.12
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)=CC(C)=C1	REAL300012000408	0	52	0.0	-33.96	410.19	14.31	-19.65
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C#N)C=C2)=CC(C)=C1	REAL300012000409	0	43	0.0	-39.44	356.67	11.26	-28.18
CSC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000410	0	46	0.0	-34.22	376.20	11.92	-22.30
COC1=CC(OC)=C(OC)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000411	0	54	0.0	-35.08	422.92	9.44	-25.64
CCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000412	0	48	0.0	-32.17	378.71	12.31	-19.86
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)C(F)=C2)=CC(C)=C1	REAL300012000413	0	42	0.0	-36.34	348.68	11.02	-25.32
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)=C1	REAL300012000414	0	56	0.0	-35.71	447.25	14.18	-21.53
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300012000415	0	42	0.0	-29.99	348.09	10.80	-19.19
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC=C2Br)=CC(C)=C1	REAL300012000416	0	42	0.0	-27.96	347.15	11.33	-16.63
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1O	REAL300012000417	0	47	0.0	-35.11	376.24	8.04	-27.07
CCC1=NN(C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000418	0	48	0.0	-36.00	379.90	10.02	-25.98
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(CC(F)(F)F)N=C2)=CC(C)=C1	REAL300012000419	0	45	0.0	-54.90	374.74	9.78	-45.12
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)O2)=CC(C)=C1	REAL300012000420	0	39	0.0	-31.66	333.79	9.66	-22.00
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N(C)CCC#N)C=C2)=C1	REAL300012000421	0	54	0.0	-36.52	430.13	12.76	-23.76
CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1OC	REAL300012000422	0	53	0.0	-37.09	416.28	11.05	-26.04
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OCC(N)=O	REAL300012000423	0	54	0.0	-48.78	433.31	8.06	-40.72
CC1=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CS1	REAL300012000424	1	41	0.0	-29.96	342.35	8.59	-21.37
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC2=C1OCO2	REAL300012000425	0	49	0.0	-38.14	391.56	8.84	-29.30
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NN(C3=CC=CC=C3)N=C2)=CC(C)=C1	REAL300012000426	1	48	0.0	-34.59	390.41	10.69	-23.90
COC1=CC2=C(C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1)OC(C)C2	REAL300012000427	0	54	0.0	-31.57	421.09	10.83	-20.74
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1C	REAL300012000429	0	49	0.0	-33.39	385.55	10.94	-22.45
COC1=CC=C(F)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000430	0	46	0.0	-30.49	369.74	10.23	-20.26
CSC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300012000431	0	43	0.0	-31.66	369.50	11.22	-20.44
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OCO3)=CC(C)=C1	REAL300012000432	0	45	0.0	-47.00	358.54	9.26	-37.74
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(Cl)C=CS2)=CC(C)=C1	REAL300012000433	0	39	0.0	-31.15	341.48	10.45	-20.70
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)=CC(C)=C1	REAL300012000434	0	48	0.0	-43.20	396.52	8.39	-34.81
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)=C1	REAL300012000435	0	52	0.0	-35.13	426.73	14.80	-20.33
COC1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000436	0	46	0.0	-31.71	370.59	10.32	-21.39
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(N)=O)C=C2)=CC(C)=C1	REAL300012000437	0	46	0.0	-43.30	370.37	7.65	-35.65
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1F	REAL300012000438	0	46	0.0	-37.48	371.71	10.26	-27.22
COC1=CC=C(Cl)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000439	0	46	0.0	-31.15	380.92	10.76	-20.39
COC(=O)C1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CN1C	REAL300012000440	0	49	0.0	-42.41	395.23	11.06	-31.35
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C)C(Cl)=C2)=CC(C)=C1	REAL300012000441	0	45	0.0	-34.53	371.44	12.00	-22.53
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1C	REAL300012000442	0	49	0.0	-33.57	385.56	10.94	-22.63
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C)=C2F)=C1	REAL300012000443	0	45	0.0	-34.46	361.87	11.57	-22.89
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C#N)C=C2F)=C1	REAL300012000444	0	43	0.0	-41.62	362.10	11.29	-30.33
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)=C1	REAL300012000445	0	55	0.0	-36.33	440.01	12.49	-23.84
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Br)C=N2)=CC(C)=C1	REAL300012000446	0	41	0.0	-31.14	352.09	9.64	-21.50
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(N3CCOCC3)S2)=CC(C)=C1	REAL300012000447	0	51	0.0	-35.38	409.50	8.18	-27.20
C#CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000448	0	51	0.0	-35.06	414.46	12.42	-22.64
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN3C=CC=CC3=N2)=C1	REAL300012000449	0	45	0.0	-32.54	362.95	11.41	-21.13
CC1=NN(C)C2=NC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)C=C12	REAL300012000450	0	50	0.0	-41.73	402.25	10.63	-31.10
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(C3CC3)=N2)=CC(C)=C1	REAL300012000451	1	45	0.0	-29.56	372.43	10.13	-19.43
CCC1=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CS1	REAL300012000452	1	44	0.0	-29.39	364.03	9.37	-20.02
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN3C=C(Cl)C=CC3=N2)=CC(C)=C1	REAL300012000453	0	45	0.0	-31.83	379.67	11.92	-19.91
CC1=NN(C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000454	0	45	0.0	-36.16	358.41	9.28	-26.88
CCOCC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OC	REAL300012000455	0	56	0.0	-35.04	439.57	11.11	-23.93
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=N1	REAL300012000456	0	45	0.0	-50.57	356.85	9.28	-41.29
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C(N)=O)=C2)=CC(C)=C1	REAL300012000457	0	46	0.0	-42.52	370.53	7.67	-34.85
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC=CN2CC(F)(F)F)=CC(C)=C1	REAL300012000458	1	45	0.0	-36.84	367.81	10.60	-26.24
CC1=CSC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300012000459	0	41	0.0	-33.65	342.56	8.63	-25.02
COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1F	REAL300012000460	0	46	0.0	-39.38	370.54	10.21	-29.17
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3CCCC3=C2)=CC(C)=C1	REAL300012000461	0	49	0.0	-31.65	381.49	12.81	-18.84
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC=C2Br)=CC(C)=C1	REAL300012000462	0	39	0.0	-32.45	344.17	10.38	-22.07
CCN1N=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000463	0	45	0.0	-34.85	355.19	9.25	-25.60
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC3=C(CCCC3)S2)=C1	REAL300012000464	0	48	0.0	-33.26	384.50	10.65	-22.61
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(F)=CC(Br)=C2)=CC(C)=C1	REAL300012000465	0	42	0.0	-51.04	360.22	11.29	-39.75
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=NC=C3C=C2)=CC(C)=C1	REAL300012000466	0	47	0.0	-37.17	376.80	11.35	-25.82
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2Br)=C1	REAL300012000467	0	42	0.0	-36.92	357.73	11.46	-25.46
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)SC=N1	REAL300012000468	0	41	0.0	-33.32	339.89	8.62	-24.70
COC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000469	0	46	0.0	-34.23	371.90	10.27	-23.96
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(Br)=C2F)=C1	REAL300012000470	0	42	0.0	-38.85	361.82	11.51	-27.34
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C(C)(C)C)N=C2)=CC(C)=C1	REAL300012000471	0	52	0.0	-36.05	407.61	10.86	-25.19
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=CS1	REAL300012000472	0	42	0.0	-30.65	343.15	10.59	-20.06
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(S(C)=O)C=C2)=CC(C)=C1	REAL300012000473	0	47	0.0	-47.04	388.19	9.49	-37.55
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3CCCCC3=C2)=C1	REAL300012000474	0	52	0.0	-32.15	398.52	13.36	-18.79
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C#N)=N2)=C1	REAL300012000475	0	42	0.0	-35.23	351.90	9.38	-25.85
COC(=O)C1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CN1	REAL300012000476	0	46	0.0	-41.90	377.64	9.33	-32.57
COCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)O1	REAL300012000477	0	46	0.0	-32.55	372.30	8.92	-23.63
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(C)=C1OC	REAL300012000478	0	53	0.0	-35.74	412.82	10.80	-24.94
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(Cl)=C2Cl)=CC(C)=C1	REAL300012000479	0	39	0.0	-35.99	356.77	10.87	-25.12
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)N=C2C)=CC(C)=C1	REAL300012000480	0	44	0.0	-38.00	352.25	9.64	-28.36
COC1=CC(C)=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000481	0	49	0.0	-31.69	385.61	10.91	-20.78
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CS1	REAL300012000482	0	42	0.0	-31.72	347.84	10.65	-21.07
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C(F)(F)F)S2)=C1	REAL300012000483	0	41	0.0	-36.70	362.05	9.32	-27.38
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(S(C)(=O)=O)=C2)=C1	REAL300012000484	0	48	0.0	-40.67	396.69	8.41	-32.26
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Cl)=CS2)=CC(C)=C1	REAL300012000485	0	39	0.0	-32.43	343.08	10.52	-21.91
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3CCCC3)C=C2)=CC(C)=C1	REAL300012000486	0	55	0.0	-31.54	419.53	14.09	-17.45
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)N(C)N=C1	REAL300012000487	0	45	0.0	-34.07	356.91	9.08	-24.99
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C)=CC(Cl)=C2)=CC(C)=C1	REAL300012000488	0	45	0.0	-48.41	370.65	11.78	-36.63
COCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000489	0	49	0.0	-33.50	391.04	10.63	-22.87
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3CC3)C=C2)=CC(C)=C1	REAL300012000490	0	49	0.0	-46.85	381.82	12.72	-34.13
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC=C(Cl)S2)=C1	REAL300012000491	1	38	0.0	-33.82	337.83	8.66	-25.16
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(F)F)C=C2)=C1	REAL300012000492	0	45	0.0	-36.87	370.14	11.83	-25.04
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=NN1C	REAL300012000493	0	45	0.0	-32.83	355.52	9.12	-23.71
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C3CC3)N=C2)=C1	REAL300012000494	0	47	0.0	-37.67	377.79	10.52	-27.15
COCCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=N1	REAL300012000495	0	49	0.0	-51.67	390.53	8.33	-43.34
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3CCC3)C=C2)=CC(C)=C1	REAL300012000496	0	52	0.0	-32.25	401.55	13.45	-18.80
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC2=CC=CC=C21	REAL300012000497	0	52	0.0	-35.36	410.45	12.51	-22.85
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1F	REAL300012000498	0	49	0.0	-35.31	393.56	11.20	-24.11
COC1=CC=CC2=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)C=CC=C12	REAL300012000499	0	52	0.0	-34.33	405.30	12.39	-21.94
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C#N)=CS2)=CC(C)=C1	REAL300012000500	0	40	0.0	-38.86	347.24	10.42	-28.44
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1C#N	REAL300012000501	0	47	0.0	-41.75	385.69	10.61	-31.14
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC=C(C(F)(F)F)S2)=C1	REAL300012000502	1	41	0.0	-35.03	361.33	9.22	-25.81
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C#N)C(C)=C2)=C1	REAL300012000503	0	46	0.0	-38.94	375.98	11.79	-27.15
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(Br)=C1	REAL300012000504	0	46	0.0	-34.70	381.57	10.71	-23.99
CC1=CN=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300012000505	0	41	0.0	-33.24	342.68	8.84	-24.40
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(CC(C)C)N=C2)=CC(C)=C1	REAL300012000506	0	51	0.0	-33.43	401.66	11.10	-22.33
CC1=CC(Br)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300012000507	0	42	0.0	-30.77	367.32	11.31	-19.46
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C(=O)OC(C)(C)C)=C2)=C1	REAL300012000508	0	57	0.0	-39.25	445.68	13.60	-25.65
CCC1=CN=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300012000509	1	44	0.0	-32.95	364.16	9.62	-23.33
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3C(=C2)CCC(=O)N3C)=CC(C)=C1	REAL300012000510	0	53	0.0	-40.84	411.69	11.76	-29.08
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)=C1	REAL300012000511	0	48	0.0	-37.65	405.52	12.17	-25.48
CC1=NN(C(C)C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000512	0	51	0.0	-35.38	399.40	10.62	-24.76
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C3CCCC3)S2)=CC(C)=C1	REAL300012000513	0	51	0.0	-32.97	407.88	11.54	-21.43
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C3CC3)S2)=CC(C)=C1	REAL300012000514	0	45	0.0	-33.27	373.89	10.54	-22.73
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C(C)C)S2)=C1	REAL300012000515	0	47	0.0	-32.88	384.95	10.22	-22.66
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C3=CC=CO3)S2)=CC(C)=C1	REAL300012000516	0	45	0.0	-35.15	383.78	10.01	-25.14
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Br)C(Cl)=C2)=C1	REAL300012000517	0	42	0.0	-34.48	372.10	11.97	-22.51
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)=CC(C)=C1	REAL300012000518	0	54	0.0	-34.56	445.57	13.42	-21.14
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CN(C)N=C3)C=C2)=C1	REAL300012000519	0	52	0.0	-38.05	416.10	12.20	-25.85
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(CC(F)F)N=C2)=CC(C)=C1	REAL300012000520	0	45	0.0	-55.43	368.71	9.61	-45.82
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)=CC(C)=C1	REAL300012000521	0	53	0.0	-36.60	430.62	13.81	-22.79
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(=O)N(C)C)N2)=CC(C)=C1	REAL300012000522	0	50	0.0	-39.35	393.35	9.10	-30.25
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C(N)=O)=CS2)=CC(C)=C1	REAL300012000523	0	43	0.0	-41.07	362.32	6.77	-34.30
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N(C)C3=CC=CC=C3)N=C2)=CC(C)=C1	REAL300012000524	0	56	0.0	-34.53	445.03	14.14	-20.39
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C3CCC3)S2)=CC(C)=C1	REAL300012000525	0	48	0.0	-32.88	390.54	11.02	-21.86
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C3CCCO3)S2)=CC(C)=C1	REAL300012000526	0	49	0.0	-36.19	400.02	9.13	-27.06
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C3=CC=CC=C3C)N=N2)=C1	REAL300012000527	1	51	0.0	-33.50	409.56	11.64	-21.86
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Br)=NN2C)=CC(C)=C1	REAL300012000528	0	42	0.0	-37.71	358.33	8.96	-28.75
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CN(C)N=C3)S2)=C1	REAL300012000529	0	49	0.0	-50.74	406.46	11.30	-39.44
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3OCCCCOC3=C2)=C1	REAL300012000530	0	54	0.0	-36.71	415.06	11.80	-24.91
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)C(Cl)=C2Cl)=CC(C)=C1	REAL300012000531	0	42	0.0	-32.17	366.54	11.76	-20.41
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NN(C(F)F)C=C2)=CC(C)=C1	REAL300012000532	1	42	0.0	-32.85	352.21	8.81	-24.04
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC=C(C(C)C)S2)=C1	REAL300012000533	1	47	0.0	-32.66	384.11	10.20	-22.46
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)=C1	REAL300012000534	0	52	0.0	-33.23	435.32	12.87	-20.36
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC=C(C(C)(C)C)S2)=C1	REAL300012000535	1	50	0.0	-32.67	402.31	10.69	-21.98
COC(=O)C1=C(C)N(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000536	0	52	0.0	-40.14	413.25	11.38	-28.76
COCCOCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000537	0	56	0.0	-34.87	446.53	10.86	-24.01
CSCC1=CN=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300012000538	1	45	0.0	-34.88	387.25	10.03	-24.85
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)SC2=C(Cl)C=CC=C12	REAL300012000539	0	48	0.0	-30.96	406.63	13.42	-17.54
CCN1N=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300012000540	1	47	0.0	-36.56	374.95	8.47	-28.09
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C3CC3)=C2)=CC(C)=C1	REAL300012000541	0	49	0.0	-32.65	384.97	12.96	-19.69
CC1=NN(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000542	0	45	0.0	-35.54	355.30	8.96	-26.58
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C#N)C(F)=C2)=C1	REAL300012000543	0	43	0.0	-40.64	362.74	11.33	-29.31
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)=CC(C)=C1	REAL300012000544	0	45	0.0	-37.28	375.61	10.00	-27.28
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=NN2CC(C)C)=CC(C)=C1	REAL300012000545	0	51	0.0	-35.13	393.15	10.78	-24.35
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Br)=CN=C2Cl)=CC(C)=C1	REAL300012000546	0	41	0.0	-30.76	361.94	10.03	-20.73
COC(=O)C1=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CN1	REAL300012000547	0	49	0.0	-41.59	393.54	9.89	-31.70
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C3=CC=C(C)C(C)=C3)S2)=CC(C)=C1	REAL300012000548	0	54	0.0	-34.27	439.37	13.14	-21.13
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000549	0	52	0.0	-41.70	418.82	12.85	-28.85
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000550	0	52	0.0	-39.32	426.54	13.38	-25.94
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000551	0	55	0.0	-37.21	436.62	13.32	-23.89
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(C)(C)C#N)C=C2)=C1	REAL300012000552	0	52	0.0	-38.59	412.46	12.82	-25.77
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NN3CCCCC3=C2)=CC(C)=C1	REAL300012000553	1	49	0.0	-30.68	380.58	10.23	-20.45
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CN=CC=C3O2)=CC(C)=C1	REAL300012000554	0	44	0.0	-35.38	358.43	9.66	-25.72
COC1=CC(OC)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1F	REAL300012000555	0	50	0.0	-34.05	399.92	9.62	-24.43
COC1=CC(F)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC	REAL300012000556	0	50	0.0	-32.72	398.90	10.15	-22.57
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(Cl)=C1	REAL300012000557	0	45	0.0	-28.05	366.83	11.94	-16.11
CCC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000558	0	48	0.0	-31.37	378.87	12.33	-19.04
CC1=NN(C2=CC=CC(C)=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000559	0	55	0.0	-37.26	435.83	13.36	-23.90
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(F)=C1	REAL300012000560	0	46	0.0	-37.68	370.78	10.20	-27.48
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC3=C2CCC3)=CC(C)=C1	REAL300012000561	0	49	0.0	-30.78	380.21	12.72	-18.06
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(C)=C1	REAL300012000562	0	55	0.0	-32.42	423.60	12.53	-19.89
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=NC=C3S2)=CC(C)=C1	REAL300012000563	0	44	0.0	-34.37	368.10	10.65	-23.72
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C3CCCN3N=C2)=CC(C)=C1	REAL300012000564	0	46	0.0	-33.63	362.28	9.47	-24.16
CCC1=C2OC(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)=CC2=CC=C1	REAL300012000565	0	51	0.0	-33.13	406.60	12.82	-20.31
C=CCCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)N=N1	REAL300012000566	1	48	0.0	-33.60	388.51	9.56	-24.04
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=NN2CC2CC2)=C1	REAL300012000567	0	49	0.0	-30.86	381.77	10.75	-20.11
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OC3CC3)=C2F)=CC(C)=C1	REAL300012000568	0	50	0.0	-39.32	402.12	11.91	-27.41
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(C)=C1	REAL300012000569	0	52	0.0	-32.70	402.10	11.74	-20.96
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C3CCCC3)=C2)=CC(C)=C1	REAL300012000570	0	55	0.0	-31.31	420.20	14.10	-17.21
COCC1=CSC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000571	0	46	0.0	-31.97	381.35	9.70	-22.27
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C3CCC3)N=N2)=CC(C)=C1	REAL300012000572	1	48	0.0	-32.98	378.17	9.37	-23.61
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(C(F)(F)F)=C2)=CC(C)=C1	REAL300012000573	0	42	0.0	-36.84	366.59	11.04	-25.80
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(F)(F)F)O2)=CC(C)=C1	REAL300012000574	0	42	0.0	-33.06	357.90	10.27	-22.79
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC3CCOC3)C=C2)=CC(C)=C1	REAL300012000575	0	54	0.0	-35.41	421.24	10.53	-24.88
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(F)=C(N(C)C)C=C2F)=CC(C)=C1	REAL300012000576	0	50	0.0	-32.09	401.06	10.49	-21.60
COC(=O)C1=C2CCCCN2C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000577	0	56	0.0	-39.62	434.67	12.52	-27.10
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)C(F)=C2F)=CC(C)=C1	REAL300012000578	0	42	0.0	-34.72	353.18	11.03	-23.69
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC(C(F)(F)F)=C1	REAL300012000579	0	49	0.0	-51.18	401.07	10.92	-40.26
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC1CC1	REAL300012000580	0	54	0.0	-37.05	425.98	11.78	-25.27
CCCN1N=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000581	0	48	0.0	-35.30	375.11	9.98	-25.32
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C(F)(F)F)=NN2C)=CC(C)=C1	REAL300012000582	0	45	0.0	-39.19	374.74	9.37	-29.82
COCC(C)OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000583	0	56	0.0	-35.08	437.80	11.14	-23.94
CCCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300012000584	0	48	0.0	-29.81	391.07	12.36	-17.45
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)=C1	REAL300012000585	0	49	0.0	-35.23	403.16	13.49	-21.74
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=NN2CCC2=CC=CC=C2)=C1	REAL300012000586	0	55	0.0	-35.48	428.61	12.72	-22.76
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C(C)C)=C2)=CC(C)=C1	REAL300012000587	0	51	0.0	-31.54	396.20	12.82	-18.72
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C)N=C2Cl)=CC(C)=C1	REAL300012000588	0	42	0.0	-33.02	354.65	9.09	-23.93
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1C(C)(C)C	REAL300012000589	0	58	0.0	-32.63	436.65	12.88	-19.75
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(CC3CCC3)=C2)=CC(C)=C1	REAL300012000590	0	55	0.0	-31.43	427.03	14.41	-17.02
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C)=C(Br)C=N2)=CC(C)=C1	REAL300012000591	0	44	0.0	-30.54	370.79	10.26	-20.28
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C)=C(F)C=C2Br)=CC(C)=C1	REAL300012000592	0	45	0.0	-29.51	373.83	12.03	-17.48
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(O)C=CC=C2Br)=C1	REAL300012000593	0	43	0.0	-30.25	362.45	8.54	-21.71
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(C3=CN(C)N=C3)=N2)=CC(C)=C1	REAL300012000594	1	48	0.0	-33.64	405.49	9.49	-24.15
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1Cl	REAL300012000595	0	46	0.0	-36.12	381.51	10.75	-25.37
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=NN2CC2CCC2)=C1	REAL300012000596	0	52	0.0	-45.68	394.61	11.28	-34.40
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)=CC(C)=C1	REAL300012000597	1	48	0.0	-35.11	395.30	10.80	-24.31
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C)N=C2Br)=CC(C)=C1	REAL300012000598	1	42	0.0	-32.64	359.35	9.18	-23.46
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(F)=C1	REAL300012000599	0	45	0.0	-28.98	361.65	11.64	-17.34
CC(=O)NC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000600	0	49	0.0	-38.03	391.94	9.79	-28.24
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C3C(=C2)C=NN3C)=CC(C)=C1	REAL300012000601	0	47	0.0	-41.34	380.29	10.03	-31.31
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC=C(Br)C=C2F)=CC(C)=C1	REAL300012000602	1	41	0.0	-30.98	357.46	9.66	-21.32
COC1=CC(Cl)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC	REAL300012000603	0	50	0.0	-31.74	404.03	10.47	-21.27
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)=CC(C)=C1	REAL300012000604	0	48	0.0	-34.21	396.98	12.69	-21.52
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C3CCCCC3=NN2C)=CC(C)=C1	REAL300012000605	0	52	0.0	-34.31	398.39	10.82	-23.49
CCOC(=O)C1=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C(C)N1	REAL300012000606	0	55	0.0	-33.27	433.75	11.19	-22.08
CC1=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CS1	REAL300012000607	0	45	0.0	-30.96	361.13	11.14	-19.82
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(Cl)C(F)=C2)=C1	REAL300012000608	0	41	0.0	-39.07	353.57	9.59	-29.48
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)=C1	REAL300012000609	0	52	0.0	-36.31	429.02	14.87	-21.44
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Br)C(F)=C2F)=CC(C)=C1	REAL300012000610	0	42	0.0	-33.62	367.49	11.57	-22.05
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(Br)SC=C2)=CC(C)=C1	REAL300012000611	0	39	0.0	-28.29	342.36	10.46	-17.83
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C(F)C=C1OC	REAL300012000612	0	53	0.0	-32.56	420.75	11.07	-21.49
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CN=C2Br)=CC(C)=C1	REAL300012000613	0	41	0.0	-31.03	342.46	9.46	-21.57
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(Br)=C2Cl)=C1	REAL300012000614	0	42	0.0	-36.37	367.81	11.88	-24.49
CCOC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000615	0	49	0.0	-34.05	393.75	11.19	-22.86
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)=C1	REAL300012000616	0	56	0.0	-44.32	431.74	11.89	-32.43
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)F)C=C2F)=C1	REAL300012000617	0	46	0.0	-37.08	380.53	10.48	-26.60
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OC(C)(C)C)=C2)=CC(C)=C1	REAL300012000618	0	55	0.0	-34.29	416.69	12.04	-22.25
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(Cl)=C2C)=C1	REAL300012000619	0	45	0.0	-33.41	365.51	11.88	-21.53
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C(F)C=C1C	REAL300012000620	0	49	0.0	-30.34	390.15	10.94	-19.40
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C)C(Br)=C2C)=C1	REAL300012000621	0	48	0.0	-33.23	387.79	12.53	-20.70
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC=CC(C)=C2Br)=CC(C)=C1	REAL300012000622	1	44	0.0	-29.12	367.62	10.15	-18.97
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(NC(=O)OC(C)(C)C)C=C2)=CC(C)=C1	REAL300012000623	0	59	0.0	-38.35	457.80	11.13	-27.22
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC(C(C)(C)C)=CS2)=C1	REAL300012000624	0	50	0.0	-33.41	401.56	10.62	-22.79
COCCC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300012000625	0	48	0.0	-34.51	397.84	8.69	-25.82
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(F)=CC(F)=C2O)=CC(C)=C1	REAL300012000627	1	43	0.0	-35.19	357.81	8.29	-26.90
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C3CSCCC3=NN2C)=CC(C)=C1	REAL300012000628	0	50	0.0	-34.71	396.97	10.44	-24.27
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC3=C2CCOC3)=CC(C)=C1	REAL300012000629	0	50	0.0	-33.05	382.86	10.86	-22.19
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3OC(=O)OC3=C2)=CC(C)=C1	REAL300012000630	0	44	0.0	-40.93	363.74	11.44	-29.49
CC1=C(Br)C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300012000631	0	42	0.0	-31.97	368.57	11.40	-20.57
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)=CC(C)=C1	REAL300012000632	0	52	0.0	-34.34	426.92	14.82	-19.52
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC3=NC=CC=C23)=CC(C)=C1	REAL300012000633	0	47	0.0	-35.88	372.03	11.15	-24.73
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1C	REAL300012000634	0	55	0.0	-33.01	428.91	12.67	-20.34
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=NC=CN=C3C=C2)=CC(C)=C1	REAL300012000635	0	46	0.0	-37.26	372.03	9.32	-27.94
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1CN1C=CC=N1	REAL300012000636	0	56	0.0	-34.73	448.21	11.89	-22.84
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)=CC(C)=C1	REAL300012000637	0	47	0.0	-42.37	373.61	12.02	-30.35
COC1=CC=C(CN2C=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)N=N2)C=C1	REAL300012000638	1	55	0.0	-37.36	443.64	10.54	-26.82
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(F)=C1OC	REAL300012000639	0	50	0.0	-40.39	404.03	10.24	-30.15
COC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(F)=C1	REAL300012000640	0	48	0.0	-42.52	396.06	11.56	-30.96
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)=C1	REAL300012000641	0	52	0.0	-38.37	422.03	11.29	-27.08
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)=C1	REAL300012000642	0	56	0.0	-33.99	447.25	14.17	-19.82
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=N2)=CC(C)=C1	REAL300012000643	0	41	0.0	-31.17	347.52	9.54	-21.63
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(CCF)N=C2)=CC(C)=C1	REAL300012000644	0	45	0.0	-52.20	363.45	9.41	-42.79
CCCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000646	0	51	0.0	-31.52	400.37	13.12	-18.40
COC1=CC=C(C2=NC(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)=CS2)C=C1	REAL300012000647	1	52	0.0	-32.13	430.08	10.97	-21.16
CC1=C2C=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)C=NC2=NN1	REAL300012000649	0	47	0.0	-41.91	379.04	9.42	-32.49
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)=C1	REAL300012000650	0	50	0.0	-42.09	409.40	7.63	-34.46
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NN(C)C3=CC=CC=C32)=CC(C)=C1	REAL300012000651	0	48	0.0	-31.79	385.93	10.82	-20.97
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C3C=CC=CC3=NN2)=CC(C)=C1	REAL300012000652	0	45	0.0	-36.98	362.87	9.52	-27.46
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NNC3=CC=CC=C32)=CC(C)=C1	REAL300012000652	1	45	0.0	-35.91	362.88	9.50	-26.41
CCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300012000653	0	45	0.0	-29.88	369.57	11.58	-18.30
CCC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300012000654	0	44	0.0	-33.28	364.17	9.62	-23.66
COC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)SC=C1	REAL300012000655	0	43	0.0	-30.53	356.10	9.31	-21.22
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)=C1	REAL300012000656	0	48	0.0	-38.93	392.17	9.13	-29.80
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC=C2Cl)=CC(C)=C1	REAL300012000657	0	39	0.0	-33.31	340.50	10.27	-23.04
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)=CC(C)=C1	REAL300012000658	0	47	0.0	-30.58	389.57	11.81	-18.77
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2CC3CCC2C3)=C1	REAL300012000659	0	49	0.0	-47.64	357.58	11.24	-36.40
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)N=C2)=CC(C)=C1	REAL300012000660	0	41	0.0	-37.07	337.24	9.06	-28.01
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(F)(F)F)S2)=CC(C)=C1	REAL300012000661	0	42	0.0	-33.20	366.84	11.21	-21.99
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000662	0	52	0.0	-35.64	417.02	13.53	-22.11
CC1=CN=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)N1C	REAL300012000663	1	45	0.0	-30.49	356.29	9.75	-20.74
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2CCC(C(C)C)CC2)=CC(C)=C1	REAL300012000664	0	57	0.0	-30.93	412.75	12.95	-17.98
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000665	0	53	0.0	-35.36	422.55	12.32	-23.04
COCC1=CC=CC=C1C=C(C)C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000666	0	56	0.0	-34.53	433.81	12.51	-22.02
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(Cl)N(C)N=C2)=CC(C)=C1	REAL300012000667	0	42	0.0	-33.61	354.45	9.00	-24.61
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=CN=C3O2)=CC(C)=C1	REAL300012000668	0	44	0.0	-35.65	358.62	8.38	-27.27
COC1=CC=C(N2C=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)C=N2)C=C1	REAL300012000669	0	53	0.0	-40.02	424.30	11.41	-28.61
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)=CC(C)=C1	REAL300012000670	0	44	0.0	-34.81	375.39	8.87	-25.94
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)=C1	REAL300012000671	0	49	0.0	-49.44	381.67	12.73	-36.71
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=NC=C2Br)=CC(C)=C1	REAL300012000672	0	41	0.0	-34.46	347.66	9.67	-24.79
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(S(C)(=O)=O)S2)=CC(C)=C1	REAL300012000673	0	45	0.0	-40.22	389.07	7.59	-32.63
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(S(N)(=O)=O)C=C2F)=C1	REAL300012000674	0	47	0.0	-44.76	395.53	5.86	-38.90
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC=CN2C(C)C)=CC(C)=C1	REAL300012000676	1	48	0.0	-29.46	376.83	10.71	-18.75
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=CC(Br)=C2C)=CC(C)=C1	REAL300012000677	0	44	0.0	-33.49	365.31	10.18	-23.31
CC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)N1C	REAL300012000678	0	45	0.0	-37.55	355.67	9.84	-27.71
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=C(C)C=CC=C3N2)=C1	REAL300012000679	0	49	0.0	-34.51	388.82	11.48	-23.03
CC1=CC=C2C=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)NC2=C1	REAL300012000680	0	49	0.0	-35.04	389.24	11.50	-23.54
CCOC1=CN=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000681	0	48	0.0	-35.11	382.27	9.30	-25.81
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=NC=C2Cl)=CC(C)=C1	REAL300012000682	0	41	0.0	-35.09	344.08	9.56	-25.53
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=NN2C2CCOCC2)=C1	REAL300012000683	0	53	0.0	-36.94	406.56	9.40	-27.54
CCC(F)(F)C(C)(C)C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000684	0	50	0.0	-49.39	372.06	11.01	-38.38
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=NC(F)=C2)=C1	REAL300012000685	0	41	0.0	-39.95	337.28	9.08	-30.87
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3C=CNC3=C2)=C1	REAL300012000686	0	46	0.0	-49.21	363.88	10.64	-38.57
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=C(C=CNC3=O)O2)=CC(C)=C1	REAL300012000687	0	45	0.0	-44.01	368.44	8.35	-35.66
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(F)F)N=C2)=CC(C)=C1	REAL300012000688	0	44	0.0	-36.99	363.99	10.02	-26.97
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(CC3CCOC3)N=N2)=CC(C)=C1	REAL300012000689	1	52	0.0	-36.66	408.20	8.36	-28.30
COC1=CN=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1C	REAL300012000690	0	48	0.0	-33.82	375.31	9.00	-24.82
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC=CC2=C(C)C=C(C)C=C2C)=C1	REAL300012000691	0	55	0.0	-33.81	426.00	14.03	-19.78
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(CC3CCCO3)N=N2)=CC(C)=C1	REAL300012000692	1	52	0.0	-34.79	410.98	8.49	-26.30
CCCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)N=N1	REAL300012000693	1	47	0.0	-33.78	375.70	9.01	-24.77
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C3CC3)C=N2)=C1	REAL300012000694	0	46	0.0	-30.29	367.35	11.55	-18.74
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)=CC(C)=C1	REAL300012000695	0	47	0.0	-43.68	383.39	11.34	-32.34
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC=CC2=CC(C)=C(C)C=C2C)=CC(C)=C1	REAL300012000696	0	55	0.0	-34.01	422.89	13.92	-20.09
CC1=NSC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000697	0	41	0.0	-33.25	342.53	9.32	-23.93
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)=CC(C)=C1	REAL300012000698	0	47	0.0	-42.07	390.21	5.85	-36.22
CCN1N=CN=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000699	1	44	0.0	-32.39	349.46	10.06	-22.33
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C3CC3)O2)=CC(C)=C1	REAL300012000700	0	45	0.0	-33.79	364.70	8.21	-25.58
CCC1=CNC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300012000701	1	45	0.0	-31.90	358.76	8.96	-22.94
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC=CC3=C2CCCC3)=C1	REAL300012000702	0	51	0.0	-33.06	383.89	11.28	-21.78
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(C3=NN(C)C=C3)=N2)=CC(C)=C1	REAL300012000703	1	48	0.0	-34.79	405.60	9.38	-25.41
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C)=C2Br)=C1	REAL300012000704	0	45	0.0	-31.97	370.46	12.01	-19.96
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)=C1	REAL300012000705	0	53	0.0	-33.69	430.66	13.81	-19.88
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3OCCCC3=C2)=C1	REAL300012000706	0	50	0.0	-34.41	389.68	11.53	-22.88
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C(=O)N(C)C)=C2)=CC(C)=C1	REAL300012000707	0	52	0.0	-42.99	407.25	10.76	-32.23
CCC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(Cl)=NN1	REAL300012000708	0	45	0.0	-29.93	374.12	9.02	-20.91
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(C3CC3)NN=C2Cl)=CC(C)=C1	REAL300012000709	0	46	0.0	-36.03	382.16	9.83	-26.20
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)N=N1	REAL300012000710	1	44	0.0	-34.15	354.20	8.24	-25.91
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C)=NC3=C2CCCC3)=CC(C)=C1	REAL300012000711	0	54	0.0	-33.39	408.59	12.08	-21.31
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)O1	REAL300012000712	0	46	0.0	-32.31	371.59	10.42	-21.89
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(C(F)(F)F)=N2)=C1	REAL300012000713	1	41	0.0	-32.26	361.44	8.98	-23.28
CCN1C=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000714	0	45	0.0	-30.48	359.86	11.08	-19.40
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(F)C(C)=C2)=CC(C)=C1	REAL300012000715	0	44	0.0	-39.62	357.61	9.68	-29.94
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(F)C=C2C)=CC(C)=C1	REAL300012000716	0	44	0.0	-34.72	352.47	9.68	-25.04
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(F)F)C(F)=C2)=CC(C)=C1	REAL300012000717	0	45	0.0	-35.90	375.18	11.85	-24.05
COC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1C	REAL300012000718	0	51	0.0	-36.94	406.78	12.10	-24.84
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(C)=C1	REAL300012000719	0	49	0.0	-32.84	380.25	10.82	-22.02
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(C)=C2Cl)=C1	REAL300012000720	0	45	0.0	-33.75	381.48	12.37	-21.38
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C#N)=CC=C2Br)=CC(C)=C1	REAL300012000721	0	43	0.0	-33.74	367.87	11.70	-22.04
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3OC(C)CC3=C2)=CC(C)=C1	REAL300012000722	0	50	0.0	-35.07	392.86	11.48	-23.59
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OC(=O)N3)=CC(C)=C1	REAL300012000723	0	45	0.0	-46.76	367.48	8.37	-38.39
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OCC3)=CC(C)=C1	REAL300012000724	0	47	0.0	-33.15	371.74	10.73	-22.42
CSCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000725	0	49	0.0	-33.21	402.10	12.79	-20.42
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(CC3CCC3)N=C2)=C1	REAL300012000726	0	52	0.0	-37.16	408.22	11.65	-25.51
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C3COCCC3=NN2C)=CC(C)=C1	REAL300012000727	0	50	0.0	-35.32	389.83	8.45	-26.87
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C3CCCC3=NN2C)=CC(C)=C1	REAL300012000728	0	49	0.0	-35.28	381.85	10.35	-24.93
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=NN2C2CCC2)=C1	REAL300012000729	0	49	0.0	-35.68	384.58	10.65	-25.03
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C3CCC3)N=C2)=C1	REAL300012000730	0	49	0.0	-33.40	384.14	10.68	-22.72
COC1=CC=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000731	0	49	0.0	-30.45	380.25	10.81	-19.64
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=C3C(=CC=C2)N=CN3C)=C1	REAL300012000732	0	48	0.0	-34.66	371.31	12.01	-22.65
CCC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000733	0	48	0.0	-30.24	369.40	12.18	-18.06
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(=O)N(C)C)C=C2)=CC(C)=C1	REAL300012000734	0	52	0.0	-44.36	404.69	10.61	-33.75
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C)=CC(F)=C2)=CC(C)=C1	REAL300012000735	0	45	0.0	-49.28	360.33	11.34	-37.94
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C)C(C)=C2C)=CC(C)=C1	REAL300012000736	0	51	0.0	-30.19	385.49	12.62	-17.57
CCNC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000737	0	52	0.0	-42.96	413.78	9.99	-32.97
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C3CCCCCN23)=CC(C)=C1	REAL300012000738	0	52	0.0	-37.44	391.82	11.26	-26.18
COC1=CC=C2SC(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)=CC2=C1	REAL300012000739	0	49	0.0	-33.98	402.73	11.70	-22.28
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000740	0	58	0.0	-41.71	446.98	12.63	-29.08
CCN1CCC2=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)=CC=C21	REAL300012000741	0	54	0.0	-33.43	415.10	11.49	-21.94
CCN(C)C(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000742	0	55	0.0	-43.80	428.65	11.78	-32.02
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=NN1C(C)C	REAL300012000743	0	51	0.0	-31.96	398.92	10.67	-21.29
CSC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1Cl	REAL300012000744	0	46	0.0	-34.05	391.20	12.36	-21.69
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3CC3)C(C)=C2)=CC(C)=C1	REAL300012000745	0	52	0.0	-31.76	402.40	13.52	-18.24
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=N1	REAL300012000746	0	48	0.0	-37.15	384.92	8.55	-28.60
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C)C(C3CC3)=C2)=CC(C)=C1	REAL300012000747	0	52	0.0	-31.45	402.41	13.52	-17.93
CC1=NN(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)C(C)=C2)C=C1	REAL300012000748	0	55	0.0	-39.98	430.06	13.24	-26.74
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N3C=C(Cl)C=N3)C=C2C)=CC(C)=C1	REAL300012000749	0	52	0.0	-37.59	426.29	13.20	-24.39
CCC1=CC(Br)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300012000750	0	45	0.0	-30.47	388.87	12.09	-18.38
CC1=NN(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)C=C2)C=C1Cl	REAL300012000751	0	52	0.0	-39.35	432.89	13.18	-26.17
COC(=O)C1=CC2=C(C=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)O2)N1	REAL300012000752	0	49	0.0	-36.60	404.57	9.69	-26.91
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)O1	REAL300012000753	0	43	0.0	-32.56	349.74	9.48	-23.08
COCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)O1	REAL300012000754	0	50	0.0	-34.41	405.22	9.66	-24.75
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NN(CCF)C=C2)=CC(C)=C1	REAL300012000755	1	45	0.0	-31.95	366.97	9.61	-22.34
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(C)=N1	REAL300012000756	0	48	0.0	-36.05	379.91	10.15	-25.90
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC(Br)=C2)=CC(C)=C1	REAL300012000757	0	42	0.0	-50.29	370.54	11.72	-38.57
COC1=CC=CC(C2=CSC(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)=N2)=C1	REAL300012000758	0	52	0.0	-36.58	428.55	10.96	-25.62
COC(=O)C1=C2COCCN2C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000759	0	54	0.0	-40.33	426.66	10.15	-30.18
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)=C1	REAL300012000760	0	59	0.0	-42.94	450.48	12.84	-30.10
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C3CC3)=NN2C)=C1	REAL300012000761	0	49	0.0	-36.83	388.15	10.52	-26.31
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N3C=CN=C3)C=C2C)=CC(C)=C1	REAL300012000762	0	52	0.0	-37.57	407.39	13.81	-23.76
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C3CCOCC3)O2)=CC(C)=C1	REAL300012000763	0	52	0.0	-35.39	408.26	7.36	-28.03
COC1=NC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1F	REAL300012000764	0	45	0.0	-41.51	368.44	7.63	-33.88
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)C(Br)=C2F)=C1	REAL300012000765	0	42	0.0	-33.55	366.90	11.55	-22.00
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN3C=CN=C3S2)=CC(C)=C1	REAL300012000766	0	42	0.0	-39.18	353.36	10.86	-28.32
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C(C(C)(C)C)O1	REAL300012000767	0	54	0.0	-30.91	418.66	12.43	-18.48
CC1=C(C)SC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300012000768	0	44	0.0	-33.34	361.46	9.35	-23.99
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)=CC(C)=C1	REAL300012000769	1	51	0.0	-35.24	414.13	11.24	-24.00
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)=C1	REAL300012000770	0	62	0.0	-38.78	459.88	11.92	-26.86
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC=C(Br)C=C2C)=CC(C)=C1	REAL300012000771	0	44	0.0	-35.43	369.20	10.17	-25.26
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)=C1	REAL300012000772	0	48	0.0	-41.71	409.86	8.82	-32.89
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3OC(C)C(C)C3=C2)=C1	REAL300012000773	0	53	0.0	-34.96	409.37	12.00	-22.96
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C)C(OC(F)F)=C2)=CC(C)=C1	REAL300012000774	0	49	0.0	-35.98	395.31	11.22	-24.76
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)NN=C1C(F)(F)F	REAL300012000775	0	45	0.0	-37.35	373.65	8.86	-28.49
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(CC(C)C)N=N2)=C1	REAL300012000776	1	50	0.0	-33.49	391.39	9.65	-23.84
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC(C3CC3)=CS2)=CC(C)=C1	REAL300012000777	0	45	0.0	-34.85	371.63	10.11	-24.74
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C(F)(F)F)=NN2)=C1	REAL300012000778	0	42	0.0	-39.81	356.89	8.21	-31.60
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3CCOC3=C2)=CC(C)=C1	REAL300012000779	0	47	0.0	-35.80	371.83	10.74	-25.06
CSC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000781	0	46	0.0	-34.57	376.20	11.91	-22.66
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C)=NC(C)=C2)=CC(C)=C1	REAL300012000782	0	47	0.0	-35.22	374.09	10.36	-24.86
CC1=C(Br)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C(C)S1	REAL300012000783	0	45	0.0	-26.77	384.79	11.86	-14.91
CCCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(C)=N1	REAL300012000784	0	51	0.0	-35.82	401.41	10.91	-24.91
CCN1C=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300012000785	1	45	0.0	-31.04	360.39	9.48	-21.56
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=NC=CC=C3O2)=CC(C)=C1	REAL300012000786	0	44	0.0	-36.81	358.61	9.62	-27.19
CC1=C(C)OC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300012000787	1	44	0.0	-34.37	354.01	7.05	-27.32
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(CC3CC3)S2)=CC(C)=C1	REAL300012000788	0	49	0.0	-29.92	401.18	13.15	-16.77
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC3CC3)C=C2)=CC(C)=C1	REAL300012000789	0	50	0.0	-33.98	396.01	11.87	-22.11
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)=C1	REAL300012000790	0	46	0.0	-36.39	387.28	10.69	-25.70
CC1=NC=CN1C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(C)=C1	REAL300012000791	0	55	0.0	-37.91	431.25	13.90	-24.01
CC1=C(C)N(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)C=C2)C=N1	REAL300012000792	0	55	0.0	-39.72	433.72	14.51	-25.21
CNC(=O)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000793	0	49	0.0	-42.76	392.46	9.17	-33.59
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)=C1	REAL300012000794	0	56	0.0	-31.65	430.40	14.93	-16.72
CCNC(=O)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000796	0	52	0.0	-42.32	413.94	10.01	-32.31
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)OC2=CC=C(F)C=C12	REAL300012000797	0	48	0.0	-33.29	390.50	12.09	-21.20
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C3CCC3)=NN2)=CC(C)=C1	REAL300012000798	0	49	0.0	-35.03	383.09	9.81	-25.22
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CC=C3)=NN2C)=C1	REAL300012000799	0	52	0.0	-38.61	415.90	12.00	-26.61
CCCN1C=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300012000800	1	48	0.0	-30.82	381.88	10.24	-20.58
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NN(C(C)C)C=C2)=CC(C)=C1	REAL300012000801	1	48	0.0	-30.52	379.06	9.99	-20.53
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=CC(C(C)(C)C)=C2)=CC(C)=C1	REAL300012000802	0	53	0.0	-32.82	407.38	11.39	-21.43
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NN(CC(F)(F)F)C=C2)=CC(C)=C1	REAL300012000803	1	45	0.0	-34.26	378.26	9.97	-24.29
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)=C1	REAL300012000804	0	52	0.0	-33.37	406.81	12.89	-20.48
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC3=C(CCCC3)N2C)=CC(C)=C1	REAL300012000805	1	52	0.0	-30.47	399.56	11.59	-18.88
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C(F)F)=C2F)=C1	REAL300012000806	0	45	0.0	-42.35	374.24	11.81	-30.54
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC3=C2COCC3)=CC(C)=C1	REAL300012000807	0	50	0.0	-33.31	382.81	10.88	-22.43
CCOC1=CC=C(Cl)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000808	0	49	0.0	-31.50	402.43	11.68	-19.82
COC1=NN(C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000809	0	46	0.0	-39.56	371.54	6.60	-32.96
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC3=C(COCC3)S2)=C1	REAL300012000810	1	46	0.0	-35.19	375.40	8.24	-26.95
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=C(CCCC3)O2)=CC(C)=C1	REAL300012000811	0	49	0.0	-31.49	380.11	11.70	-19.79
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)=CC(C)=C1	REAL300012000812	0	44	0.0	-59.06	367.14	11.35	-47.71
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C3CCCCC3)N=C2)=C1	REAL300012000813	0	55	0.0	-32.99	420.62	11.95	-21.04
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)=C1	REAL300012000814	0	49	0.0	-34.95	409.85	12.38	-22.57
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N(C)CCO)N=C2)=C1	REAL300012000815	0	53	0.0	-34.75	415.55	8.47	-26.28
COC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=CC=C1C(C)(C)C	REAL300012000816	0	58	0.0	-32.45	428.17	12.71	-19.74
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC(Br)=CN2C)=CC(C)=C1	REAL300012000817	1	42	0.0	-32.30	357.33	9.75	-22.55
COC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=N1	REAL300012000818	0	48	0.0	-33.51	378.24	8.21	-25.30
COC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1O	REAL300012000819	0	50	0.0	-33.48	391.69	8.56	-24.92
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)=CC(C)=C1	REAL300012000820	0	48	0.0	-32.93	392.57	9.99	-22.94
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3N(C)C2=O)=C1	REAL300012000821	0	51	0.0	-31.67	402.31	11.65	-20.02
COC1=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1C	REAL300012000822	0	48	0.0	-31.05	383.28	8.29	-22.76
CCCN1C=NC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000823	0	48	0.0	-33.52	370.28	11.57	-21.95
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CNC2=O)=CC(C)=C1	REAL300012000824	0	42	0.0	-32.70	339.43	7.78	-24.92
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC=CC2=CC=C3OCOC3=C2)=C1	REAL300012000825	0	49	0.0	-39.27	393.08	10.85	-28.42
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(CC3CCC3)C=C2)=C1	REAL300012000826	0	55	0.0	-31.89	426.91	14.39	-17.50
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(NC(=O)OC(C)(C)C)=C2)=CC(C)=C1	REAL300012000827	0	59	0.0	-36.56	457.95	11.14	-25.42
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C3CC3)=NN2)=CC(C)=C1	REAL300012000828	0	46	0.0	-35.43	367.59	9.36	-26.07
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=NN2C2CC2(F)F)=CC(C)=C1	REAL300012000829	0	46	0.0	-39.18	377.95	10.37	-28.81
COC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=CS1	REAL300012000830	0	43	0.0	-31.38	357.52	9.32	-22.06
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C(C)(F)F)=C2)=C1	REAL300012000831	0	48	0.0	-33.38	389.21	12.42	-20.96
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)=CC(C)=C1	REAL300012000832	0	48	0.0	-37.80	398.91	11.68	-26.12
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C(C)(C)C#N)S2)=CC(C)=C1	REAL300012000833	0	48	0.0	-33.74	402.62	10.24	-23.50
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(F)=CC(F)=C2F)=CC(C)=C1	REAL300012000834	0	42	0.0	-37.93	353.99	11.04	-26.89
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)=C1	REAL300012000835	0	49	0.0	-33.81	401.56	13.32	-20.49
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C(C)(C)C)=NN2)=C1	REAL300012000836	0	51	0.0	-36.28	397.79	9.70	-26.58
CCN1CCCC2=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)=CC=C21	REAL300012000837	0	57	0.0	-32.20	424.86	12.02	-20.18
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(Br)N(C)N=C2)=CC(C)=C1	REAL300012000838	1	42	0.0	-32.91	358.58	9.08	-23.83
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC=CC2=CC=CC=C2)=C1	REAL300012000839	0	46	0.0	-49.72	363.56	11.92	-37.80
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=NN2C2CC2)=CC(C)=C1	REAL300012000840	0	45	0.0	-40.05	360.77	8.85	-31.20
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)=CC(C)=C1	REAL300012000841	0	46	0.0	-35.50	392.38	12.35	-23.15
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)=CC(C)=C1	REAL300012000842	0	55	0.0	-35.40	429.18	11.57	-23.83
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3CCOCC3=C2)=C1	REAL300012000843	0	50	0.0	-33.83	389.62	10.97	-22.86
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(CCO)N=C2)=CC(C)=C1	REAL300012000844	0	46	0.0	-52.23	368.28	5.91	-46.32
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)SC2=CC(F)=CC=C12	REAL300012000845	0	48	0.0	-31.39	396.43	13.03	-18.36
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)=C1	REAL300012000846	0	48	0.0	-40.19	390.59	9.06	-31.13
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC=CC2=CC=NC=C2)=CC(C)=C1	REAL300012000847	0	45	0.0	-37.50	362.04	10.43	-27.07
C=CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000848	0	46	0.0	-32.97	366.95	11.96	-21.01
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OCC3CCC3)=C2)=CC(C)=C1	REAL300012000849	0	56	0.0	-34.13	435.57	13.25	-20.88
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC=C2C(C)(F)F)=C1	REAL300012000850	0	48	0.0	-33.10	373.54	12.22	-20.88
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OCCO	REAL300012000851	0	54	0.0	-38.95	427.96	7.93	-31.02
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OCCO	REAL300012000852	0	54	0.0	-39.26	427.96	7.93	-31.33
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CN=CC=C3C=C2)=CC(C)=C1	REAL300012000853	0	47	0.0	-36.87	376.97	11.38	-25.49
CC1=CC2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)=C2O1	REAL300012000854	0	48	0.0	-36.11	384.96	12.02	-24.09
COC1=CSC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1OC	REAL300012000855	0	47	0.0	-34.61	388.75	8.94	-25.67
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(S(C)(=O)=O)=CO2)=CC(C)=C1	REAL300012000856	0	45	0.0	-42.58	379.79	6.49	-36.09
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)=CC(C)=C1	REAL300012000857	0	45	0.0	-32.23	378.97	11.96	-20.27
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC(C)C)C(F)=C2)=CC(C)=C1	REAL300012000858	0	52	0.0	-34.76	411.64	11.89	-22.87
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(F)C(Cl)=C2F)=C1	REAL300012000860	0	42	0.0	-33.55	362.64	11.46	-22.09
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C(F)F)=C2)=CC(C)=C1	REAL300012000861	0	45	0.0	-35.71	368.16	11.76	-23.95
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)=CC(C)=C1	REAL300012000862	0	48	0.0	-36.13	386.65	13.15	-22.98
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(S(C)(=O)=O)=CS2)=CC(C)=C1	REAL300012000863	0	45	0.0	-42.35	388.06	7.47	-34.88
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CSC(Cl)=C2)=CC(C)=C1	REAL300012000864	0	39	0.0	-32.75	342.82	10.43	-22.32
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=NN1C1CCC1	REAL300012000865	0	52	0.0	-31.90	404.58	11.33	-20.57
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)=CC(C)=C1	REAL300012000866	0	49	0.0	-35.88	411.54	12.63	-23.25
CC1=NN(C2CCCC2)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000867	0	55	0.0	-35.69	423.85	11.95	-23.74
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=NN2CC(F)F)=CC(C)=C1	REAL300012000868	0	45	0.0	-33.74	367.26	9.53	-24.21
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)=CC(C)=C1	REAL300012000869	0	49	0.0	-36.44	401.22	12.18	-24.26
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000870	1	51	0.0	-33.59	410.91	11.23	-22.36
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NN(C3CCC3)C=C2)=C1	REAL300012000871	1	49	0.0	-30.54	382.08	10.48	-20.06
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NN(CC(F)F)C=C2)=CC(C)=C1	REAL300012000872	1	45	0.0	-33.60	372.22	9.80	-23.80
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NN(C3CC3(F)F)C=C2)=CC(C)=C1	REAL300012000873	1	46	0.0	-35.34	381.74	10.31	-25.03
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000874	0	58	0.0	-34.88	441.04	12.48	-22.40
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C3CCOCC3)N=C2)=C1	REAL300012000875	0	53	0.0	-33.99	411.40	9.54	-24.45
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000876	0	56	0.0	-35.27	431.03	10.12	-25.15
CC1=CN(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=N1	REAL300012000877	1	45	0.0	-37.64	355.53	9.78	-27.86
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NN(C3CCCC3)C=C2)=C1	REAL300012000878	1	52	0.0	-30.12	401.77	11.26	-18.86
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(S(N)(=O)=O)=CS2)=CC(C)=C1	REAL300012000879	0	44	0.0	-41.21	381.78	4.90	-36.31
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC=C(Cl)C=C2Cl)=CC(C)=C1	REAL300012000880	1	41	0.0	-29.48	361.65	9.95	-19.53
CC1=NSC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000881	0	41	0.0	-34.94	336.79	9.11	-25.83
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)=C1	REAL300012000882	0	57	0.0	-43.50	440.48	10.37	-33.13
CC1=NN(C2CCCC2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000883	0	55	0.0	-34.77	422.08	11.88	-22.89
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC=C2C(F)F)=CC(C)=C1	REAL300012000884	0	45	0.0	-35.14	354.76	11.66	-23.48
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C)=CC(Br)=C2F)=CC(C)=C1	REAL300012000885	0	45	0.0	-30.17	382.23	12.22	-17.95
COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1Br	REAL300012000886	0	46	0.0	-35.61	380.63	10.76	-24.85
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=CNN=C3C=C2)=CC(C)=C1	REAL300012000887	0	45	0.0	-41.18	362.23	9.61	-31.57
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(F)=C2F)=CC(C)=C1	REAL300012000888	0	42	0.0	-33.70	363.07	11.47	-22.23
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2C)=C1	REAL300012000889	0	45	0.0	-34.51	356.77	11.48	-23.03
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CN(C)N=C3)=C2)=CC(C)=C1	REAL300012000890	0	52	0.0	-37.91	416.10	12.19	-25.72
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)=CC(C)=C1	REAL300012000891	0	52	0.0	-45.75	422.20	13.33	-32.42
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Br)=CC=C2C)=CC(C)=C1	REAL300012000892	0	45	0.0	-30.23	372.06	12.13	-18.10
COC1=C(C#N)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000893	0	47	0.0	-43.67	385.35	10.69	-32.98
COC1=NC2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC(C)=CC(C)=C3)C=C2S1	REAL300012000894	0	48	0.0	-37.87	400.39	8.72	-29.15
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=NC(Br)=C2)=C1	REAL300012000895	0	41	0.0	-38.56	352.32	9.64	-28.92
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(F)=CC(Cl)=C2Cl)=CC(C)=C1	REAL300012000896	0	42	0.0	-34.57	370.05	11.85	-22.72
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(Cl)N=C2C)=CC(C)=C1	REAL300012000897	0	44	0.0	-36.87	362.71	10.12	-26.75
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(OCC(C)(C)C)=C2)=CC(C)=C1	REAL300012000898	0	58	0.0	-33.65	447.78	13.24	-20.41
COC1=CC(Cl)=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000899	0	46	0.0	-33.74	382.22	10.71	-23.03
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=CC(F)=C1F	REAL300012000900	0	46	0.0	-57.50	374.53	10.04	-47.46
COC1=CC(C)=NC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000901	0	48	0.0	-32.59	381.27	9.10	-23.49
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C(C)C)C=N2)=CC(C)=C1	REAL300012000902	0	48	0.0	-29.99	379.47	11.47	-18.52
COC(=O)C1=C(C)NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1C	REAL300012000903	0	52	0.0	-40.33	419.66	10.58	-29.75
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(OC(C)C)O2)=CC(C)=C1	REAL300012000904	0	49	0.0	-32.26	391.90	11.13	-21.13
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(O)C=CC(F)=C2Br)=C1	REAL300012000905	0	43	0.0	-35.87	369.13	8.65	-27.22
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(F)=CC(C#N)=C2)=CC(C)=C1	REAL300012000906	0	43	0.0	-57.45	359.81	11.06	-46.39
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3CCCCC3)C=C2)=CC(C)=C1	REAL300012000907	0	58	0.0	-31.99	437.68	14.68	-17.31
COC1=CC=CC=C1C=CC[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000908	0	50	0.0	-35.13	395.39	11.55	-23.58
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)SC(Br)=C1	REAL300012000909	0	42	0.0	-30.50	366.37	11.29	-19.21
CC1=NN(C2CCC2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000910	0	52	0.0	-35.99	403.75	11.24	-24.75
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=NN1CC(F)F	REAL300012000911	0	48	0.0	-33.44	390.08	10.29	-23.15
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)=C1	REAL300012000912	0	50	0.0	-37.61	405.17	11.24	-26.37
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC3=CC(Cl)=CC=C3N2C(C)C)=C1	REAL300012000913	0	54	0.0	-31.50	434.12	12.98	-18.52
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CO3)=NN2C)=C1	REAL300012000914	0	49	0.0	-39.71	399.31	10.16	-29.55
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)=C1	REAL300012000915	0	55	0.0	-33.55	438.59	15.33	-18.22
CCCCC(=O)NC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000916	0	58	0.0	-40.51	455.72	12.14	-28.37
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(C)=N1	REAL300012000917	0	48	0.0	-35.10	378.01	8.18	-26.92
CCN(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C(C)=C1	REAL300012000918	0	56	0.0	-30.53	424.05	12.86	-17.67
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Cl)=CN=C2Br)=CC(C)=C1	REAL300012000919	1	41	0.0	-30.50	359.22	9.96	-20.54
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(Cl)C(Cl)=CS2)=CC(C)=C1	REAL300012000920	0	39	0.0	-33.69	357.43	10.93	-22.76
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=NS1	REAL300012000921	0	41	0.0	-33.02	338.70	9.32	-23.70
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(CF)C=C2)=CC(C)=C1	REAL300012000922	0	45	0.0	-33.77	363.96	11.72	-22.05
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C3SC=CC3=C2)=C1	REAL300012000923	0	45	0.0	-34.51	372.90	12.27	-22.24
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)=C1	REAL300012000924	0	51	0.0	-36.98	405.20	12.53	-24.45
CC1=NSC(C)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000925	0	44	0.0	-33.14	358.29	9.75	-23.39
C=CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=N1	REAL300012000926	0	46	0.0	-51.08	369.65	9.84	-41.24
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=NNC=C3C=C2)=CC(C)=C1	REAL300012000927	0	45	0.0	-39.59	362.23	9.61	-29.98
CCC(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012000928	0	54	0.0	-31.55	414.65	13.49	-18.06
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)=CC(C)=C1	REAL300012000929	0	47	0.0	-39.50	401.73	11.25	-28.25
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC3=C(CCOC3)N=C2Cl)=CC(C)=C1	REAL300012000930	0	49	0.0	-32.06	394.63	9.45	-22.61
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=NC=C(CC3=CC=CC=C3)N2C)=C1	REAL300012000931	1	55	0.0	-31.95	436.66	13.48	-18.47
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C(C)(F)F)=N2)=C1	REAL300012000932	0	47	0.0	-32.84	385.08	10.85	-21.99
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC(Br)=CC(F)=C2F)=CC(C)=C1	REAL300012000933	0	42	0.0	-37.25	368.88	11.58	-25.67
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC3=C2CCCC3)=CC(C)=C1	REAL300012000934	0	52	0.0	-30.50	391.38	13.26	-17.24
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000935	0	49	0.0	-34.68	395.45	12.81	-21.87
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=CC(C(F)(F)F)=C2F)=C1	REAL300012000936	0	45	0.0	-40.73	379.47	11.92	-28.81
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)=CC(C)=C1	REAL300012000937	0	48	0.0	-45.50	388.16	10.78	-34.72
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=C(C)C3=CC=CC=C3C=C2)=CC(C)=C1	REAL300012000938	0	51	0.0	-32.19	393.51	13.58	-18.61
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN(C(C)(C)C)N=C2C(C)C)=CC(C)=C1	REAL300012000939	0	60	0.0	-34.34	461.15	12.55	-21.79
COC1=C2C=CNC2=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000940	0	50	0.0	-33.00	392.18	10.45	-22.55
CC1=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C(C)S1	REAL300012000941	1	44	0.0	-33.75	360.62	9.28	-24.47
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)=C1	REAL300012000942	0	55	0.0	-35.38	424.80	8.00	-27.38
CCCN1N=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1C	REAL300012000943	0	51	0.0	-31.99	400.66	10.75	-21.24
CC1=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(N3C=CC=N3)C(C)=C2)=CC(C)=C1	REAL300012000944	0	51	0.0	-38.87	408.11	12.23	-26.64
COC(=O)C1=CN(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012000945	0	49	0.0	-43.80	397.75	11.00	-32.80
CCCN1N=C(C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012000946	0	51	0.0	-31.76	391.79	10.49	-21.27
CC1=CC(C)=CC([C@H](CC(=O)[O-])[NH2+]CC2=CN=C(C(C)(C)C)O2)=C1	REAL300012000947	0	50	0.0	-33.38	395.17	8.39	-24.99
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(C)=C1	REAL300012000948	0	54	0.0	-25.93	405.23	13.17	-12.76
CC1=CC=C(C)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012000949	0	54	0.0	-25.76	405.23	13.17	-12.59
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CC=CN=C3C=C2)C(=O)[O-])C=C1	REAL300012000950	0	53	0.0	-33.28	413.44	12.33	-20.95
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2CC3C=CC2C3)C(=O)[O-])C=C1	REAL300012000951	0	53	0.0	-29.14	389.59	12.53	-16.61
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2CCCCC2)C(=O)[O-])C=C1	REAL300012000952	0	54	0.0	-27.84	392.02	12.26	-15.58
CC(C)(C)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012000953	0	60	0.0	-27.00	447.24	14.25	-12.75
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(Br)O2)C(=O)[O-])C=C1	REAL300012000954	1	45	0.0	-26.21	374.81	10.84	-15.37
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012000955	0	58	0.0	-30.88	448.80	13.71	-17.17
CCOC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1OC	REAL300012000956	0	59	0.0	-30.90	452.92	12.10	-18.80
CCCCCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012000957	0	64	0.0	-29.51	488.21	14.57	-14.94
CC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1C	REAL300012000958	0	54	0.0	-25.31	400.52	12.95	-12.36
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1C	REAL300012000959	0	54	0.0	-27.28	409.42	13.14	-14.14
CCCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1OC	REAL300012000960	0	62	0.0	-30.64	474.42	12.90	-17.74
C=CCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1OC	REAL300012000961	0	60	0.0	-31.00	465.83	12.68	-18.32
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)C(=O)[O-])C=C1	REAL300012000962	0	58	0.0	-30.24	456.60	13.65	-16.59
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(Cl)=C1	REAL300012000963	0	52	0.0	-29.87	413.59	11.69	-18.18
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012000964	0	52	0.0	-29.12	418.36	11.77	-17.35
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C#N)=C2)C(=O)[O-])C=C1	REAL300012000965	0	49	0.0	-35.95	393.19	12.37	-23.58
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CSC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300012000966	0	51	0.0	-27.40	406.39	13.27	-14.13
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CC=CC=C3OC2)C(=O)[O-])C=C1	REAL300012000967	0	54	0.0	-28.76	417.08	12.42	-16.34
CC1=CC=C(C2=CC=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])O2)C=C1	REAL300012000968	0	58	0.0	-27.03	454.01	14.54	-12.49
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(Cl)S2)C(=O)[O-])C=C1	REAL300012000969	0	45	0.0	-26.64	379.63	11.70	-14.94
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300012000970	0	53	0.0	-31.48	412.19	12.51	-18.97
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C(=O)[O-])C=C1	REAL300012000971	0	55	0.0	-35.13	430.71	13.18	-21.95
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C(=O)[O-])C=C1	REAL300012000972	0	54	0.0	-37.35	425.65	14.50	-22.85
CCC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])O1	REAL300012000973	0	51	0.0	-26.43	396.51	11.71	-14.72
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(F)=CC=C2F)C(=O)[O-])C=C1	REAL300012000974	0	48	0.0	-29.97	384.34	12.07	-17.90
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(F)C=C2Cl)C(=O)[O-])C=C1	REAL300012000975	0	48	0.0	-29.53	390.54	12.47	-17.06
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(F)C(Cl)=C2)C(=O)[O-])C=C1	REAL300012000976	0	48	0.0	-29.64	394.96	12.54	-17.10
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012000977	0	51	0.0	-30.21	415.32	12.99	-17.22
CCOC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012000978	0	55	0.0	-30.12	422.40	12.16	-17.96
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1F	REAL300012000979	0	51	0.0	-31.39	399.08	12.69	-18.70
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(Cl)=CC=C2Cl)C(=O)[O-])C=C1	REAL300012000980	0	48	0.0	-26.83	400.87	12.92	-13.91
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(F)=C(F)C(F)=C2)C(=O)[O-])C=C1	REAL300012000981	0	48	0.0	-33.28	391.33	12.16	-21.12
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012000982	0	51	0.0	-30.31	417.79	13.06	-17.25
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(C(F)(F)F)=CC=C2F)C(=O)[O-])C=C1	REAL300012000983	0	51	0.0	-27.69	415.94	13.03	-14.66
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300012000984	0	51	0.0	-26.83	409.75	13.51	-13.32
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(Cl)C(F)=C2)C(=O)[O-])C=C1	REAL300012000985	0	48	0.0	-29.64	394.96	12.55	-17.09
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CN=C2Cl)C(=O)[O-])C=C1	REAL300012000986	0	47	0.0	-25.34	379.31	10.60	-14.74
COCCOC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012000987	0	59	0.0	-32.58	456.02	11.43	-21.15
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1Cl	REAL300012000988	0	52	0.0	-29.24	417.89	11.83	-17.41
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C(=O)[O-])C=C1	REAL300012000989	1	53	0.0	-27.46	431.30	10.86	-16.60
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1	REAL300012000990	0	54	0.0	-30.44	415.26	11.20	-19.24
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1	REAL300012000991	0	57	0.0	-32.59	430.87	11.97	-20.62
CCCOC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012000992	0	58	0.0	-29.83	443.90	12.96	-16.87
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1	REAL300012000993	0	55	0.0	-28.01	438.41	14.56	-13.45
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C(=O)[O-])C=C1	REAL300012000994	0	62	0.0	-29.92	465.77	14.15	-15.77
CC(C)OC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012000995	0	58	0.0	-30.64	441.65	12.83	-17.81
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])OC=C1	REAL300012000998	0	48	0.0	-25.53	371.27	10.65	-14.88
CC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CN=C1Cl	REAL300012000999	0	50	0.0	-32.13	401.50	11.16	-20.97
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300012001000	0	53	0.0	-29.40	428.87	13.02	-16.38
COC1=CC=C2OC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=CC2=C1	REAL300012001001	0	55	0.0	-28.50	428.39	11.75	-16.75
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC=CC2=CC=C(Cl)C=C2)C(=O)[O-])C=C1	REAL300012001002	0	52	0.0	-31.53	418.81	13.75	-17.78
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=COC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300012001003	0	51	0.0	-30.37	398.95	12.31	-18.06
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C(=O)[O-])C=C1	REAL300012001004	1	56	0.0	-27.72	437.81	13.69	-14.03
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])N=C1	REAL300012001005	0	50	0.0	-24.88	387.45	10.76	-14.12
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC=CC2=CC=C(F)C=C2F)C(=O)[O-])C=C1	REAL300012001006	0	52	0.0	-35.61	413.96	13.34	-22.27
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C(=O)[O-])C=C1	REAL300012001007	0	55	0.0	-26.85	429.93	13.06	-13.79
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012001008	0	45	0.0	-23.37	375.21	11.47	-11.90
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(Cl)=CC3=C2OCC3)C(=O)[O-])C=C1	REAL300012001009	0	53	0.0	-28.92	424.85	12.32	-16.60
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=C(F)C=CC=C3N2)C(=O)[O-])C=C1	REAL300012001010	0	52	0.0	-28.79	409.43	11.95	-16.84
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CC=C(F)C=C3N2)C(=O)[O-])C=C1	REAL300012001011	0	52	0.0	-29.69	409.33	11.95	-17.74
CCOC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=N1	REAL300012001012	0	54	0.0	-25.81	421.38	9.57	-16.24
CC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012001013	0	56	0.0	-32.74	433.59	13.16	-19.58
CC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1Cl	REAL300012001014	0	51	0.0	-28.41	406.49	13.03	-15.38
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C3C=CSC3=C2)C(=O)[O-])C=C1	REAL300012001015	0	50	0.0	-30.76	402.87	11.42	-19.34
CCCC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001016	0	57	0.0	-27.26	435.39	14.15	-13.11
COC1=CC=C2N=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])SC2=C1	REAL300012001017	1	54	0.0	-30.45	434.01	10.79	-19.66
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001018	0	54	0.0	-33.54	435.49	12.83	-20.71
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1C#N	REAL300012001019	0	53	0.0	-33.34	420.72	11.65	-21.69
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(SC(F)F)C=C2)C(=O)[O-])C=C1	REAL300012001020	0	52	0.0	-29.36	422.18	13.25	-16.11
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C(=O)[O-])C=C1	REAL300012001021	0	52	0.0	-31.23	416.53	11.58	-19.65
CCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])N=C1	REAL300012001022	0	54	0.0	-26.17	418.77	10.34	-15.83
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001023	0	54	0.0	-27.78	421.21	13.46	-14.32
CCCOC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1OC	REAL300012001024	0	62	0.0	-30.06	473.10	12.85	-17.21
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(Br)S2)C(=O)[O-])C=C1	REAL300012001025	0	45	0.0	-26.03	382.94	11.77	-14.26
C=CCOC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001026	0	56	0.0	-30.82	436.62	12.80	-18.02
COC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012001027	0	58	0.0	-31.15	444.70	10.96	-20.19
CC1=CC(C)=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1C	REAL300012001028	0	57	0.0	-25.74	422.23	13.69	-12.05
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C(=O)[O-])C=C1	REAL300012001029	0	55	0.0	-26.70	438.89	14.71	-11.99
CC1CCC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])CC1	REAL300012001030	0	57	0.0	-27.94	412.85	12.87	-15.07
CC(CCC1=CC=CC=C1)C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001031	0	60	0.0	-30.83	451.38	14.84	-15.99
CCC1CCCC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C1	REAL300012001032	0	60	0.0	-28.38	432.44	13.55	-14.83
CC1=C(C)C=C2OC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=CC2=C1	REAL300012001033	0	57	0.0	-26.71	437.22	13.66	-13.05
CCCC1CCC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])CC1	REAL300012001034	0	63	0.0	-29.43	453.93	14.32	-15.11
CC1CCCCC1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001035	0	57	0.0	-28.77	402.44	12.51	-16.26
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C(=O)[O-])C=C1	REAL300012001036	0	55	0.0	-34.30	428.32	14.36	-19.94
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C(=O)[O-])C=C1	REAL300012001037	0	55	0.0	-28.47	439.69	13.94	-14.53
COC1=CC=C(C)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001038	0	55	0.0	-27.72	420.58	11.96	-15.76
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1F	REAL300012001039	0	52	0.0	-30.33	408.09	11.35	-18.98
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C(=O)[O-])C=C1	REAL300012001040	0	57	0.0	-31.23	429.40	13.18	-18.05
CC(C)C1CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])CCO1	REAL300012001041	0	61	0.0	-32.74	435.59	11.77	-20.97
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C(=O)[O-])C=C1	REAL300012001042	0	60	0.0	-28.46	427.35	13.18	-15.28
CCSC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001043	0	55	0.0	-30.63	434.04	13.83	-16.80
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C(O)C=CC(Cl)=C2F)C(=O)[O-])C=C1	REAL300012001044	1	49	0.0	-34.32	403.53	9.71	-24.61
CCN1N=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012001045	0	57	0.0	-30.04	442.79	12.71	-17.33
CCCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001046	0	58	0.0	-28.88	443.89	12.95	-15.93
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CC=CC=C3O2)C(=O)[O-])C=C1	REAL300012001047	0	51	0.0	-27.36	400.24	12.50	-14.86
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C(=O)[O-])C=C1	REAL300012001048	0	55	0.0	-26.65	431.29	13.82	-12.83
COC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012001049	0	62	0.0	-30.12	469.55	12.67	-17.45
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012001050	0	53	0.0	-30.72	415.23	13.12	-17.60
CC(C)OC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001051	0	58	0.0	-28.17	440.32	12.79	-15.38
CC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1F	REAL300012001052	0	51	0.0	-29.10	397.72	12.64	-16.46
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])C=C1	REAL300012001053	0	52	0.0	-26.21	401.80	11.94	-14.27
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C(Br)C=CS2)C(=O)[O-])C=C1	REAL300012001054	0	45	0.0	-25.94	380.48	11.58	-14.36
CC(C)CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001055	0	60	0.0	-27.10	452.19	14.61	-12.49
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012001056	0	54	0.0	-42.08	426.56	12.66	-29.42
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012001057	0	48	0.0	-28.33	404.46	12.95	-15.38
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(F)=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012001058	0	48	0.0	-29.01	394.15	12.51	-16.50
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(Br)=CO2)C(=O)[O-])C=C1	REAL300012001059	1	45	0.0	-28.02	374.82	10.75	-17.27
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])C=C1	REAL300012001060	0	52	0.0	-31.74	411.62	11.56	-20.18
CCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1OCC	REAL300012001061	0	62	0.0	-30.19	473.46	12.97	-17.22
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(Cl)C=C2F)C(=O)[O-])C=C1	REAL300012001062	0	48	0.0	-31.82	394.66	12.52	-19.30
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012001063	0	52	0.0	-30.59	417.04	11.72	-18.87
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(Cl)=CC=C2F)C(=O)[O-])C=C1	REAL300012001064	0	48	0.0	-29.49	394.66	12.51	-16.98
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(F)=CC(F)=C2)C(=O)[O-])C=C1	REAL300012001065	0	48	0.0	-30.04	385.15	12.12	-17.92
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(Cl)=C2F)C(=O)[O-])C=C1	REAL300012001066	0	48	0.0	-25.46	393.10	12.52	-12.94
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(F)=C2F)C(=O)[O-])C=C1	REAL300012001067	0	48	0.0	-25.41	381.89	12.03	-13.38
CN1C2=CC=CC=C2N=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001068	1	54	0.0	-25.35	417.00	12.25	-13.10
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=N1	REAL300012001069	0	51	0.0	-29.55	398.04	8.63	-20.92
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])C=C1	REAL300012001070	0	53	0.0	-29.94	406.89	11.78	-18.16
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CSC(Br)=C2)C(=O)[O-])C=C1	REAL300012001071	0	45	0.0	-26.93	382.66	11.61	-15.32
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C(=O)[O-])C=C1	REAL300012001072	0	58	0.0	-28.02	445.26	15.34	-12.68
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])C=C1	REAL300012001073	0	59	0.0	-28.91	446.24	11.89	-17.02
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])C=C1	REAL300012001074	0	52	0.0	-28.62	403.37	11.99	-16.63
CC1=NC(C)=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])S1	REAL300012001075	0	50	0.0	-26.64	396.44	10.38	-16.26
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C(=O)[O-])C=C1	REAL300012001076	0	57	0.0	-33.45	442.70	13.82	-19.63
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(=O)[O-])C=C1	REAL300012001077	0	57	0.0	-32.55	440.27	13.58	-18.97
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(=O)[O-])C=C1	REAL300012001078	0	57	0.0	-31.72	440.46	13.59	-18.13
CNC(=O)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001079	0	55	0.0	-37.31	427.51	10.21	-27.10
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])C=C1	REAL300012001080	0	55	0.0	-33.55	436.28	13.22	-20.33
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C=C1	REAL300012001081	0	54	0.0	-28.59	417.11	14.19	-14.40
COC1=C2OC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=CC2=CC=C1	REAL300012001082	0	55	0.0	-28.72	429.74	11.80	-16.92
CC(C)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012001083	0	59	0.0	-39.14	457.46	14.48	-24.66
COC1=CC(OC)=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001084	0	56	0.0	-29.85	431.32	10.59	-19.26
COC1=CC2=CC=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])C=C2C=C1	REAL300012001085	0	58	0.0	-31.20	446.46	13.49	-17.71
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(Br)=CS2)C(=O)[O-])C=C1	REAL300012001087	0	45	0.0	-27.35	382.74	11.66	-15.69
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(CSC(F)F)O2)C(=O)[O-])C=C1	REAL300012001088	1	52	0.0	-27.80	431.57	12.50	-15.30
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CC=CC=C3NC2=O)C(=O)[O-])C=C1	REAL300012001089	0	54	0.0	-27.31	422.71	11.03	-16.28
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(N3CCCCC3)C=C2)C(=O)[O-])C=C1	REAL300012001091	0	63	0.0	-27.86	463.94	13.22	-14.64
COC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1SC	REAL300012001092	0	56	0.0	-30.02	439.92	12.28	-17.74
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(OCCCC#N)=C2)C(=O)[O-])C=C1	REAL300012001093	0	59	0.0	-38.28	466.08	13.52	-24.76
C=CCC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC(OC)=C1O	REAL300012001094	0	60	0.0	-30.28	467.23	11.13	-19.15
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C(=O)[O-])C=C1	REAL300012001095	0	55	0.0	-31.02	431.76	11.90	-19.12
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C(=O)[O-])C=C1	REAL300012001096	0	54	0.0	-27.57	423.94	11.77	-15.80
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1	REAL300012001097	1	54	0.0	-32.64	435.51	12.74	-19.90
CN1C=NC2=CC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=CC=C21	REAL300012001098	0	54	0.0	-35.68	419.43	13.28	-22.40
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C(=O)[O-])C=C1	REAL300012001099	0	54	0.0	-28.91	437.39	13.00	-15.91
COC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012001100	0	60	0.0	-29.70	457.47	11.80	-17.90
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C(=O)[O-])C=C1	REAL300012001101	0	59	0.0	-29.03	448.41	13.18	-15.85
CC1=CC=C(F)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001103	0	51	0.0	-24.24	396.96	12.64	-11.60
CC1=CC=C(F)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001104	0	51	0.0	-26.12	390.25	12.57	-13.55
CC1=NC=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001105	0	50	0.0	-29.05	381.11	10.69	-18.36
CC(C)COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001106	0	61	0.0	-28.73	464.00	13.65	-15.08
COCCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001107	0	59	0.0	-31.54	456.02	11.42	-20.12
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2CCCC(C)(C)C2)C(=O)[O-])C=C1	REAL300012001108	0	60	0.0	-28.99	426.03	13.16	-15.83
COC1=CC2=C(C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-])OCO2	REAL300012001109	0	55	0.0	-29.26	425.14	9.96	-19.30
CC(C)COC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001110	0	61	0.0	-29.69	464.00	13.66	-16.03
CC1=CC(Cl)=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001111	0	51	0.0	-27.07	400.58	13.01	-14.06
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC=CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012001112	0	52	0.0	-32.21	408.49	13.30	-18.91
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012001113	0	47	0.0	-29.79	382.71	10.58	-19.21
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012001114	0	47	0.0	-29.94	388.53	10.80	-19.14
CN1N=NC2=CC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=CC=C21	REAL300012001115	0	53	0.0	-32.34	414.99	10.39	-21.95
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2CCCCCC2)C(=O)[O-])C=C1	REAL300012001116	0	57	0.0	-28.20	404.43	12.76	-15.44
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C3OC(C)(C)CC3=CC=C2)C(=O)[O-])C=C1	REAL300012001117	0	59	0.0	-30.39	449.57	13.19	-17.20
COC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=N1	REAL300012001118	0	51	0.0	-25.45	398.21	8.59	-16.86
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C(=O)[O-])C=C1	REAL300012001119	0	55	0.0	-36.08	429.40	13.13	-22.95
CC(C)N1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=N1	REAL300012001120	0	54	0.0	-28.24	414.03	11.13	-17.11
CC1=NC2=CC=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])C=C2C=C1	REAL300012001121	0	56	0.0	-33.53	435.02	12.94	-20.59
CC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012001122	0	57	0.0	-35.72	445.29	15.47	-20.25
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CC(F)=CC=C3O2)C(=O)[O-])C=C1	REAL300012001123	0	51	0.0	-28.35	406.66	12.57	-15.78
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(OCC(F)F)C=C2)C(=O)[O-])C=C1	REAL300012001124	0	55	0.0	-34.51	435.41	12.48	-22.03
COCC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001125	0	55	0.0	-29.76	426.07	11.66	-18.10
COC1=CC(C)=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1OC	REAL300012001126	0	59	0.0	-29.03	442.53	11.69	-17.34
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001127	0	54	0.0	-35.51	435.57	12.84	-22.67
CC1CCC2=C(C1)SC(C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-])=N2	REAL300012001128	1	57	0.0	-29.07	440.36	12.28	-16.79
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2CCC(C(C)(C)C)CC2)C(=O)[O-])C=C1	REAL300012001129	0	66	0.0	-28.06	450.87	13.91	-14.15
CC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C(C)O1	REAL300012001130	0	51	0.0	-25.79	392.05	11.52	-14.27
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(OCC3CC3)C=C2)C(=O)[O-])C=C1	REAL300012001131	0	59	0.0	-29.22	454.03	13.74	-15.48
CC(C)CC1=NC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])S1	REAL300012001132	0	56	0.0	-28.28	438.80	11.94	-16.34
CC1=CC=C(C2=NC=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])S2)O1	REAL300012001133	0	54	0.0	-29.29	442.07	11.90	-17.39
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C(Cl)OC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300012001134	0	51	0.0	-25.05	415.11	12.89	-12.16
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NC3=C(CCC3)S2)C(=O)[O-])C=C1	REAL300012001135	1	51	0.0	-30.61	402.99	11.14	-19.47
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001136	0	52	0.0	-29.85	401.86	11.28	-18.57
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)C(=O)[O-])C=C1	REAL300012001137	0	55	0.0	-27.99	439.01	13.93	-14.06
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])O1	REAL300012001138	0	48	0.0	-26.70	375.02	10.93	-15.77
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012001139	0	48	0.0	-27.38	371.00	11.94	-15.44
CC(C)(C)C1=NC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])S1	REAL300012001140	0	56	0.0	-27.60	437.88	11.71	-15.89
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C3OCCOC3=C2)C(=O)[O-])C=C1	REAL300012001141	0	54	0.0	-31.67	415.50	11.09	-20.58
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012001142	0	48	0.0	-29.89	392.33	12.55	-17.34
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012001143	0	48	0.0	-30.46	389.09	12.49	-17.97
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1	REAL300012001144	0	55	0.0	-33.20	431.19	13.19	-20.01
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(C(C)(C)C)N=C2)C(=O)[O-])C=C1	REAL300012001145	0	57	0.0	-31.74	435.14	11.80	-19.94
CC1=CC(C)=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001146	0	54	0.0	-27.04	413.82	13.26	-13.78
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(CO)O2)C(=O)[O-])C=C1	REAL300012001147	1	49	0.0	-28.94	385.11	7.55	-21.39
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CS2)C(=O)[O-])C=C1	REAL300012001148	0	45	0.0	-25.74	361.26	11.04	-14.70
CC(=O)NC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001149	0	55	0.0	-36.52	427.40	10.81	-25.71
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300012001150	0	48	0.0	-23.97	384.24	12.45	-11.52
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC([N+](=O)[O-])=C2)C(=O)[O-])C=C1	REAL300012001151	0	50	0.0	-32.02	400.57	12.65	-19.37
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])C=C1	REAL300012001152	0	50	0.0	-34.74	399.26	12.60	-22.14
CN(C)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001153	0	56	0.0	-27.80	423.55	12.35	-15.45
CCN(CC)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001154	0	62	0.0	-27.73	467.49	14.29	-13.44
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012001155	0	48	0.0	-28.53	392.33	12.56	-15.97
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(Cl)C=C2)C(=O)[O-])C=C1	REAL300012001156	0	48	0.0	-28.55	387.77	12.46	-16.09
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012001157	0	48	0.0	-29.22	377.45	12.00	-17.22
COC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1OC	REAL300012001158	0	56	0.0	-30.14	431.09	11.26	-18.88
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(Cl)C=C2Cl)C(=O)[O-])C=C1	REAL300012001159	0	48	0.0	-28.90	400.88	12.91	-15.99
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(N3CCOCC3)C=C2)C(=O)[O-])C=C1	REAL300012001160	0	61	0.0	-29.14	455.04	10.76	-18.38
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1OC	REAL300012001161	0	56	0.0	-30.51	429.75	11.13	-19.38
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(OC)=C1	REAL300012001162	0	56	0.0	-30.37	429.97	10.64	-19.73
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012001163	0	51	0.0	-30.60	411.10	12.98	-17.62
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(F)C=C2F)C(=O)[O-])C=C1	REAL300012001164	0	48	0.0	-31.70	383.01	12.02	-19.68
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(Cl)=C2Cl)C(=O)[O-])C=C1	REAL300012001165	0	48	0.0	-24.09	399.42	12.91	-11.18
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(Cl)C(Cl)=C2)C(=O)[O-])C=C1	REAL300012001166	0	48	0.0	-28.27	402.96	12.91	-15.36
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2CC=CCC2)C(=O)[O-])C=C1	REAL300012001167	0	52	0.0	-29.00	384.33	12.18	-16.82
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C=C1	REAL300012001168	0	52	0.0	-29.67	410.29	11.52	-18.15
CCCCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001169	0	61	0.0	-29.50	466.71	13.79	-15.71
CC(C)CCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001170	0	64	0.0	-28.88	482.96	14.26	-14.62
COC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001171	0	52	0.0	-30.21	400.54	11.24	-18.97
CC(=CC1=CC=CC=C1)C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001172	0	55	0.0	-29.78	420.54	13.76	-16.02
CCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1OC	REAL300012001173	0	59	0.0	-30.34	451.60	12.05	-18.29
CC(C)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001174	0	57	0.0	-27.16	431.26	13.86	-13.30
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012001175	0	51	0.0	-28.44	411.10	12.97	-15.47
CCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001176	0	55	0.0	-29.21	422.40	12.15	-17.06
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC=C2F)C(=O)[O-])C=C1	REAL300012001177	0	48	0.0	-25.09	376.93	12.02	-13.07
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300012001178	0	48	0.0	-30.82	377.45	12.01	-18.81
COC1=CC=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001179	0	52	0.0	-28.13	399.14	11.30	-16.83
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])SC=C1	REAL300012001180	0	48	0.0	-25.00	379.93	11.63	-13.37
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C(=O)[O-])C=C1	REAL300012001181	0	58	0.0	-29.05	445.25	15.35	-13.70
CC1=CC=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001182	0	51	0.0	-25.37	383.59	12.41	-12.96
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001183	0	51	0.0	-27.84	393.76	12.66	-15.18
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C#N)C=C2)C(=O)[O-])C=C1	REAL300012001184	0	49	0.0	-33.16	391.89	12.32	-20.84
CSC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001185	0	52	0.0	-29.15	411.26	12.96	-16.19
CC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001186	0	51	0.0	-27.86	393.77	12.65	-15.21
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012001187	0	45	0.0	-27.99	362.30	10.92	-17.07
CCC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001188	0	54	0.0	-27.18	413.92	13.37	-13.81
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(F)C(F)=C2)C(=O)[O-])C=C1	REAL300012001189	0	48	0.0	-29.96	383.75	12.06	-17.90
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])S1	REAL300012001190	0	48	0.0	-26.04	384.47	11.88	-14.16
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC=C2Br)C(=O)[O-])C=C1	REAL300012001191	0	48	0.0	-23.51	387.82	12.56	-10.95
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1O	REAL300012001192	0	53	0.0	-30.07	412.58	9.12	-20.95
CCC1=NN(C)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001193	0	54	0.0	-30.36	414.28	11.05	-19.31
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(CC(F)(F)F)N=C2)C(=O)[O-])C=C1	REAL300012001194	0	51	0.0	-36.21	414.58	11.15	-25.06
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012001195	0	47	0.0	-30.69	365.83	10.15	-20.54
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CO2)C(=O)[O-])C=C1	REAL300012001196	0	45	0.0	-27.17	353.11	10.11	-17.06
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300012001197	0	47	0.0	-29.68	365.91	10.17	-19.51
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(Cl)O2)C(=O)[O-])C=C1	REAL300012001198	1	45	0.0	-26.29	370.17	10.73	-15.56
CN(CCC#N)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001199	0	60	0.0	-33.54	466.53	13.83	-19.71
CCOC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1OC	REAL300012001200	0	59	0.0	-28.95	451.67	12.11	-16.84
CC1=NC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CS1	REAL300012001201	1	47	0.0	-25.38	378.92	9.69	-15.69
COC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012001202	0	55	0.0	-31.42	426.58	9.88	-21.54
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NN(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1	REAL300012001203	0	54	0.0	-28.14	426.79	11.77	-16.37
COC1=CC2=C(C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-])OC(C)C2	REAL300012001204	0	60	0.0	-28.74	457.38	11.94	-16.80
CN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=N1	REAL300012001205	0	48	0.0	-29.21	373.85	9.74	-19.47
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1C	REAL300012001206	0	55	0.0	-28.41	420.58	11.98	-16.43
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NC=CN2)C(=O)[O-])C=C1	REAL300012001207	1	45	0.0	-26.75	351.78	8.70	-18.05
CN1C=CN=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001208	1	48	0.0	-25.30	372.87	10.36	-14.94
COC1=CC=C(F)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001209	0	52	0.0	-26.79	406.36	11.30	-15.49
CSC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])S1	REAL300012001210	0	49	0.0	-26.96	405.87	12.30	-14.66
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC3=C2OCO3)C(=O)[O-])C=C1	REAL300012001211	0	51	0.0	-31.95	397.01	10.59	-21.36
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=CN=C2)C(=O)[O-])C=C1	REAL300012001212	0	46	0.0	-31.02	361.99	9.99	-21.03
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C(Cl)C=CS2)C(=O)[O-])C=C1	REAL300012001213	0	45	0.0	-26.62	376.51	11.48	-15.14
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])C=C1	REAL300012001214	0	54	0.0	-36.49	433.05	9.50	-26.99
COC1=CC=C(F)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001215	0	52	0.0	-28.52	406.90	11.41	-17.11
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NNC=C2)C(=O)[O-])C=C1	REAL300012001216	0	45	0.0	-26.87	350.95	8.33	-18.54
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=NN2)C(=O)[O-])C=C1	REAL300012001216	1	45	0.0	-29.14	350.93	8.30	-20.84
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C(N)=O)C=C2)C(=O)[O-])C=C1	REAL300012001217	0	52	0.0	-37.19	405.58	8.71	-28.48
COC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1F	REAL300012001218	0	52	0.0	-31.16	406.73	11.30	-19.86
COC1=CC=C(Cl)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001219	0	52	0.0	-27.41	415.90	11.80	-15.61
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=CS2)C(=O)[O-])C=C1	REAL300012001220	0	44	0.0	-29.15	357.11	9.22	-19.93
CN1C=NC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001221	0	48	0.0	-31.81	371.62	11.09	-20.72
COC(=O)C1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CN1C	REAL300012001222	0	55	0.0	-37.84	431.75	12.17	-25.67
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1Cl	REAL300012001223	0	51	0.0	-29.75	406.50	13.04	-16.71
COC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1C	REAL300012001224	0	55	0.0	-29.25	421.90	12.02	-17.23
CC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1F	REAL300012001226	0	51	0.0	-31.21	398.24	12.64	-18.57
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C#N)C=C2F)C(=O)[O-])C=C1	REAL300012001227	0	49	0.0	-36.38	398.76	12.38	-24.00
CC1=NNC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001228	0	48	0.0	-31.29	371.80	9.05	-22.24
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=NN1	REAL300012001228	1	48	0.0	-27.43	370.69	8.93	-18.50
CN1N=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001229	0	48	0.0	-29.91	372.98	9.56	-20.35
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(Br)C=N2)C(=O)[O-])C=C1	REAL300012001230	0	47	0.0	-24.84	387.33	10.69	-14.15
C#CCCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001231	0	57	0.0	-30.10	451.00	13.53	-16.57
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN3C=CC=CC3=N2)C(=O)[O-])C=C1	REAL300012001232	0	51	0.0	-27.76	399.34	12.48	-15.28
CC1=NN(C)C2=NC=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])C=C12	REAL300012001233	0	56	0.0	-34.80	437.31	11.67	-23.13
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])C=C1	REAL300012001236	0	51	0.0	-26.59	416.06	12.99	-13.60
CC1=NN(C)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001237	0	51	0.0	-30.85	392.75	10.31	-20.54
CCOCC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1OC	REAL300012001238	0	62	0.0	-27.33	475.95	12.19	-15.14
CCN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=N1	REAL300012001239	0	51	0.0	-32.74	396.71	10.65	-22.09
CN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])N=N1	REAL300012001240	0	47	0.0	-28.82	369.16	8.48	-20.34
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C(N)=O)=C2)C(=O)[O-])C=C1	REAL300012001241	0	52	0.0	-38.90	405.59	8.71	-30.19
CN1C=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=N1	REAL300012001242	0	48	0.0	-26.94	373.91	9.65	-17.29
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NC=CN2CC(F)(F)F)C(=O)[O-])C=C1	REAL300012001243	0	51	0.0	-35.49	409.78	11.46	-24.03
CC1=CSC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=N1	REAL300012001244	1	47	0.0	-29.83	377.62	9.67	-20.16
COC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1F	REAL300012001245	0	52	0.0	-34.84	407.24	11.32	-23.52
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C3CCCC3=C2)C(=O)[O-])C=C1	REAL300012001246	0	55	0.0	-27.03	416.52	13.85	-13.18
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CSC=C2Br)C(=O)[O-])C=C1	REAL300012001247	0	45	0.0	-27.57	380.15	11.49	-16.08
CCN1N=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001249	0	51	0.0	-28.03	388.33	10.42	-17.61
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1	REAL300012001250	1	54	0.0	-29.27	419.56	11.67	-17.60
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CC=NC=C3C=C2)C(=O)[O-])C=C1	REAL300012001251	0	53	0.0	-30.86	412.00	12.42	-18.44
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])SC=N1	REAL300012001252	0	47	0.0	-27.03	373.00	9.63	-17.40
COC1=CC(F)=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001253	0	52	0.0	-29.78	408.28	11.35	-18.43
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])C=C1	REAL300012001254	0	58	0.0	-29.90	442.63	11.89	-18.01
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=CS1	REAL300012001255	0	48	0.0	-25.79	377.72	11.64	-14.15
CS(=O)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001256	0	53	0.0	-42.54	424.57	10.57	-31.97
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C3CCCCC3=C2)C(=O)[O-])C=C1	REAL300012001257	0	58	0.0	-27.19	433.74	14.42	-12.77
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C#N)=N2)C(=O)[O-])C=C1	REAL300012001258	0	48	0.0	-29.01	386.99	10.40	-18.61
COC(=O)C1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CN1	REAL300012001259	0	52	0.0	-38.05	414.02	10.41	-27.64
COCC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])O1	REAL300012001260	1	52	0.0	-28.17	408.68	9.99	-18.18
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(C)=C1OC	REAL300012001261	0	59	0.0	-30.36	444.90	11.75	-18.61
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CSC(Cl)=C2Cl)C(=O)[O-])C=C1	REAL300012001262	0	45	0.0	-29.65	391.67	11.92	-17.73
CC1=NC(F)=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001263	0	50	0.0	-30.88	383.73	10.56	-20.32
COC1=CC(C)=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001264	0	55	0.0	-28.65	421.92	12.01	-16.64
CC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CS1	REAL300012001265	0	48	0.0	-26.93	382.87	11.69	-15.24
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])N=N1	REAL300012001266	0	49	0.0	-27.37	383.87	9.68	-17.69
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C(C(F)(F)F)S2)C(=O)[O-])C=C1	REAL300012001267	0	47	0.0	-30.56	398.43	10.39	-20.17
CN1N=NC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001268	0	47	0.0	-33.68	365.77	8.30	-25.38
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(S(C)(=O)=O)=C2)C(=O)[O-])C=C1	REAL300012001269	0	54	0.0	-37.34	431.74	9.45	-27.89
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(Cl)=CS2)C(=O)[O-])C=C1	REAL300012001270	0	45	0.0	-27.43	378.15	11.55	-15.88
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3CCCC3)C=C2)C(=O)[O-])C=C1	REAL300012001271	0	61	0.0	-27.68	455.91	15.17	-12.51
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])N(C)N=C1	REAL300012001272	0	51	0.0	-27.87	393.26	10.16	-17.71
CC1=CC(Cl)=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001273	0	51	0.0	-29.23	409.14	13.10	-16.13
COCC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001274	0	55	0.0	-29.16	426.10	11.66	-17.50
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3CC3)C=C2)C(=O)[O-])C=C1	REAL300012001275	0	55	0.0	-27.35	420.22	14.04	-13.31
C=CN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=N1	REAL300012001277	0	49	0.0	-29.77	385.60	10.95	-18.82
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C(F)F)C=C2)C(=O)[O-])C=C1	REAL300012001278	0	51	0.0	-32.46	406.52	12.91	-19.55
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=NN1C	REAL300012001279	0	51	0.0	-28.18	391.70	10.24	-17.94
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C(C3CC3)N=C2)C(=O)[O-])C=C1	REAL300012001280	0	53	0.0	-30.64	413.00	11.59	-19.05
COCCN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=N1	REAL300012001281	0	55	0.0	-32.93	430.38	9.70	-23.23
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3CCC3)C=C2)C(=O)[O-])C=C1	REAL300012001282	0	58	0.0	-27.64	438.12	14.57	-13.07
COC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012001283	0	58	0.0	-30.34	446.83	13.58	-16.76
CCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1F	REAL300012001284	0	55	0.0	-29.60	428.62	12.24	-17.36
COC1=CC=CC2=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])C=CC=C12	REAL300012001285	0	58	0.0	-28.98	438.31	13.39	-15.59
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(C#N)=CS2)C(=O)[O-])C=C1	REAL300012001286	0	46	0.0	-34.05	383.63	11.49	-22.56
COC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1C#N	REAL300012001287	0	53	0.0	-35.63	422.03	11.69	-23.94
CC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1C#N	REAL300012001289	0	52	0.0	-33.45	412.33	12.87	-20.58
CC1=CN=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])S1	REAL300012001290	1	47	0.0	-29.45	377.74	9.87	-19.58
CC(C)CN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=N1	REAL300012001291	0	57	0.0	-28.23	432.26	12.18	-16.05
CCC1=CN=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])S1	REAL300012001292	1	50	0.0	-29.16	399.22	10.66	-18.50
CN1C(=O)CCC2=CC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=CC=C21	REAL300012001293	0	59	0.0	-35.60	448.19	12.87	-22.73
CC1=NN(C(C)C)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001294	0	57	0.0	-29.71	434.33	11.65	-18.06
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C(C3CCCC3)S2)C(=O)[O-])C=C1	REAL300012001295	0	57	0.0	-28.14	444.26	12.61	-15.53
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C(C3CC3)S2)C(=O)[O-])C=C1	REAL300012001296	0	51	0.0	-27.84	408.95	11.56	-16.28
CC(C)C1=NC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])S1	REAL300012001297	0	53	0.0	-28.12	421.33	11.29	-16.83
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C(C3=CC=CO3)S2)C(=O)[O-])C=C1	REAL300012001298	0	51	0.0	-29.70	420.16	11.08	-18.62
CN1C=C(C2=CC=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])C=C2)C=N1	REAL300012001299	0	58	0.0	-33.92	452.48	13.29	-20.63
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(CC(F)F)N=C2)C(=O)[O-])C=C1	REAL300012001300	0	51	0.0	-31.55	407.23	10.93	-20.62
CN(C)C(=O)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])N1	REAL300012001301	0	56	0.0	-32.86	428.38	10.10	-22.76
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(C(N)=O)=CS2)C(=O)[O-])C=C1	REAL300012001302	0	49	0.0	-36.92	397.38	7.80	-29.12
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C(C3CCC3)S2)C(=O)[O-])C=C1	REAL300012001303	0	54	0.0	-28.03	426.92	12.09	-15.94
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C(C3CCCO3)S2)C(=O)[O-])C=C1	REAL300012001304	0	55	0.0	-29.46	434.78	10.16	-19.30
CC1=CC=CC=C1N1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])N=N1	REAL300012001305	0	57	0.0	-27.90	446.42	12.71	-15.19
CN1N=C(Br)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001306	0	48	0.0	-30.71	393.47	10.03	-20.68
CN1C=C(C2=CC=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])S2)C=N1	REAL300012001307	0	55	0.0	-30.87	446.31	12.66	-18.21
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C3OCCCCOC3=C2)C(=O)[O-])C=C1	REAL300012001308	0	60	0.0	-30.54	450.06	12.81	-17.73
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(F)C(Cl)=C2Cl)C(=O)[O-])C=C1	REAL300012001309	0	48	0.0	-25.03	405.27	12.96	-12.07
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NN(C(F)F)C=C2)C(=O)[O-])C=C1	REAL300012001310	0	48	0.0	-27.75	388.59	9.88	-17.87
CC(C)C1=CN=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])S1	REAL300012001311	1	53	0.0	-29.33	420.49	11.27	-18.06
CC(C)(C)C1=CN=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])S1	REAL300012001312	1	56	0.0	-29.19	438.70	11.76	-17.43
COC(=O)C1=C(C)N(C)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001313	0	58	0.0	-34.50	450.41	12.48	-22.02
COCCOCC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001314	0	62	0.0	-30.54	481.58	11.89	-18.65
CCN1N=C(C)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=N1	REAL300012001316	0	53	0.0	-31.58	411.50	9.56	-22.02
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C3CC3)=C2)C(=O)[O-])C=C1	REAL300012001317	0	55	0.0	-27.67	420.25	14.02	-13.65
CC1=NN(C)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001318	0	51	0.0	-29.90	395.02	10.17	-19.73
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C#N)C(F)=C2)C(=O)[O-])C=C1	REAL300012001319	0	49	0.0	-34.47	399.11	12.42	-22.05
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])C=C1	REAL300012001320	0	51	0.0	-30.52	410.67	11.04	-19.48
CC(C)CN1N=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001321	0	57	0.0	-26.33	428.07	11.47	-14.86
COC(=O)C1=C(C)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CN1	REAL300012001322	0	55	0.0	-35.19	428.10	10.93	-24.26
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C(C)(C)C#N)C=C2)C(=O)[O-])C=C1	REAL300012001323	0	58	0.0	-34.74	447.62	13.90	-20.84
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NN3CCCCC3=C2)C(=O)[O-])C=C1	REAL300012001324	0	55	0.0	-26.53	416.96	11.30	-15.23
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CN=CC=C3O2)C(=O)[O-])C=C1	REAL300012001325	0	50	0.0	-28.88	394.97	10.77	-18.11
COC1=CC(OC)=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1F	REAL300012001326	0	56	0.0	-30.51	436.18	10.72	-19.79
COC1=CC(F)=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1OC	REAL300012001327	0	56	0.0	-26.77	434.29	11.17	-15.60
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(Cl)=C1	REAL300012001328	0	51	0.0	-23.01	404.29	13.07	-9.94
CCC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001329	0	54	0.0	-27.86	415.21	13.41	-14.45
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(F)=C1	REAL300012001330	0	52	0.0	-32.19	406.09	11.24	-20.95
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC3=C2CCC3)C(=O)[O-])C=C1	REAL300012001331	0	55	0.0	-26.81	416.67	13.82	-12.99
CCCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(C)=C1	REAL300012001332	0	61	0.0	-26.85	455.00	13.46	-13.39
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CC=NC=C3S2)C(=O)[O-])C=C1	REAL300012001333	0	50	0.0	-28.96	404.48	11.72	-17.24
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C3CCCN3N=C2)C(=O)[O-])C=C1	REAL300012001334	0	52	0.0	-28.96	397.51	10.54	-18.42
CCC1=C2OC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=CC2=CC=C1	REAL300012001335	0	57	0.0	-26.58	441.82	13.89	-12.69
C=CCCN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])N=N1	REAL300012001336	0	54	0.0	-27.91	424.89	10.63	-17.28
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=NN2CC2CC2)C(=O)[O-])C=C1	REAL300012001337	0	55	0.0	-26.64	424.17	11.89	-14.75
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(OC3CC3)=C2F)C(=O)[O-])C=C1	REAL300012001338	0	56	0.0	-35.74	438.28	12.98	-22.76
CCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(C)=C1	REAL300012001339	0	58	0.0	-27.05	433.50	12.66	-14.39
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C3CCCC3)=C2)C(=O)[O-])C=C1	REAL300012001340	0	61	0.0	-27.82	456.60	15.19	-12.63
COCC1=CSC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001341	0	52	0.0	-28.20	417.88	10.81	-17.39
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(C3CCC3)N=N2)C(=O)[O-])C=C1	REAL300012001342	0	54	0.0	-26.50	413.23	10.40	-16.10
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012001343	0	48	0.0	-28.23	401.61	12.08	-16.15
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)O2)C(=O)[O-])C=C1	REAL300012001344	0	48	0.0	-27.28	394.28	11.34	-15.94
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(OC3CCOC3)C=C2)C(=O)[O-])C=C1	REAL300012001345	0	60	0.0	-30.96	457.71	11.62	-19.34
CN(C)C1=CC(F)=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1F	REAL300012001346	0	56	0.0	-27.25	437.77	11.56	-15.69
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(F)C(F)=C2F)C(=O)[O-])C=C1	REAL300012001347	0	48	0.0	-27.46	389.50	12.15	-15.31
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1OC1CC1	REAL300012001348	0	60	0.0	-30.87	460.83	12.80	-18.07
CCCN1N=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001349	0	54	0.0	-26.90	400.92	10.91	-15.99
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001350	0	51	0.0	-32.14	413.13	10.53	-21.61
COCC(C)OC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001351	0	62	0.0	-30.09	473.95	12.19	-17.90
CCCC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])S1	REAL300012001352	0	54	0.0	-25.28	426.13	13.39	-11.89
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])C=C1	REAL300012001353	0	55	0.0	-30.09	439.73	14.60	-15.49
CC(C)C1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001354	0	57	0.0	-27.80	432.58	13.90	-13.90
CN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(Cl)=N1	REAL300012001355	0	48	0.0	-26.24	390.52	10.14	-16.10
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012001356	0	64	0.0	-28.37	471.67	13.92	-14.45
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(CC3CCC3)=C2)C(=O)[O-])C=C1	REAL300012001357	0	61	0.0	-27.76	463.37	15.49	-12.27
CN1C=C(C2=NC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=CS2)C=N1	REAL300012001358	1	54	0.0	-28.83	441.86	10.56	-18.27
COC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1Cl	REAL300012001359	0	52	0.0	-30.60	417.86	11.83	-18.77
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=NN2CC2CCC2)C(=O)[O-])C=C1	REAL300012001360	0	58	0.0	-38.75	424.00	12.04	-26.71
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)C(=O)[O-])C=C1	REAL300012001361	0	54	0.0	-27.82	430.36	11.83	-15.99
CN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(Br)=N1	REAL300012001362	0	48	0.0	-25.75	394.57	10.21	-15.54
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(F)=C1	REAL300012001363	0	51	0.0	-24.13	396.96	12.65	-11.48
CC(=O)NC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001364	0	55	0.0	-33.81	428.45	10.89	-22.92
CN1N=CC2=CC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=CN=C21	REAL300012001365	0	53	0.0	-34.74	415.31	11.07	-23.67
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012001366	0	54	0.0	-30.31	432.02	13.71	-16.60
CN1N=C2CCCCC2=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001367	0	58	0.0	-27.81	436.57	11.96	-15.85
CC1=C(C)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CS1	REAL300012001368	0	51	0.0	-25.59	393.33	12.12	-13.47
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C(Cl)C(F)=C2)C(=O)[O-])C=C1	REAL300012001369	0	47	0.0	-31.95	388.60	10.62	-21.33
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C(Br)SC=C2)C(=O)[O-])C=C1	REAL300012001370	0	45	0.0	-22.95	378.99	11.59	-11.36
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CN=C2Br)C(=O)[O-])C=C1	REAL300012001371	0	47	0.0	-24.85	382.91	10.66	-14.19
CCOC1=CC(F)=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001372	0	55	0.0	-29.44	430.09	12.27	-17.17
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(OC(F)F)C=C2F)C(=O)[O-])C=C1	REAL300012001373	0	52	0.0	-31.74	415.85	11.52	-20.22
CC(C)(C)OC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001374	0	61	0.0	-30.71	452.76	13.12	-17.59
CC1=C(Cl)C=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001375	0	51	0.0	-27.46	396.22	12.86	-14.60
COC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C(F)C=C1C	REAL300012001376	0	55	0.0	-25.26	426.47	12.06	-13.20
CC(C)(C)C1=CSC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=N1	REAL300012001377	1	56	0.0	-30.08	437.94	11.69	-18.39
COCCC1=NC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])S1	REAL300012001378	0	54	0.0	-28.83	432.89	9.72	-19.11
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(F)=CC(F)=C2O)C(=O)[O-])C=C1	REAL300012001379	1	49	0.0	-29.58	394.63	9.34	-20.24
CN1N=C2CCSCC2=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001380	0	56	0.0	-26.93	434.60	11.57	-15.36
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC3=C2CCOC3)C(=O)[O-])C=C1	REAL300012001381	0	56	0.0	-26.23	415.33	11.84	-14.39
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C3OC(=O)OC3=C2)C(=O)[O-])C=C1	REAL300012001382	0	50	0.0	-38.02	398.80	12.49	-25.53
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])C=C1	REAL300012001383	0	53	0.0	-29.87	405.02	12.15	-17.72
CCCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1C	REAL300012001384	0	61	0.0	-28.66	463.97	13.71	-14.95
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=NC=CN=C3C=C2)C(=O)[O-])C=C1	REAL300012001385	0	52	0.0	-31.80	408.40	10.39	-21.41
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012001386	0	53	0.0	-36.03	406.29	12.99	-23.04
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(F)=C1OC	REAL300012001387	0	56	0.0	-36.04	439.08	11.26	-24.78
COC(=O)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(F)=C1	REAL300012001388	0	54	0.0	-36.82	432.69	12.66	-24.16
CC1=COC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001389	0	48	0.0	-27.02	375.01	10.79	-16.23
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012001390	0	47	0.0	-25.50	384.08	10.64	-14.86
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(CCF)N=C2)C(=O)[O-])C=C1	REAL300012001392	0	51	0.0	-33.47	403.30	10.78	-22.69
CCCC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001394	0	57	0.0	-27.68	436.74	14.20	-13.48
CC1=C2C=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])C=NC2=NN1	REAL300012001395	0	53	0.0	-35.21	414.07	10.46	-24.75
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NC=CS2)C(=O)[O-])C=C1	REAL300012001396	1	44	0.0	-30.41	357.14	9.11	-21.30
CN1N=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012001397	0	54	0.0	-26.25	420.99	11.86	-14.39
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C3C=CC=CC3=NN2)C(=O)[O-])C=C1	REAL300012001398	0	51	0.0	-30.53	399.25	10.59	-19.94
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NNC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300012001398	1	51	0.0	-25.76	398.13	10.57	-15.19
CCC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])S1	REAL300012001399	0	51	0.0	-25.27	404.62	12.62	-12.65
CCC1=NC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])S1	REAL300012001400	0	50	0.0	-28.49	400.54	10.69	-17.80
COC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])SC=C1	REAL300012001401	0	49	0.0	-27.70	391.16	10.35	-17.35
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C(=O)[O-])C=C1	REAL300012001402	0	54	0.0	-30.25	427.22	10.17	-20.08
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CSC=C2Cl)C(=O)[O-])C=C1	REAL300012001403	0	45	0.0	-27.80	375.40	11.34	-16.46
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300012001404	0	53	0.0	-26.47	426.03	12.91	-13.56
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2CC3CCC2C3)C(=O)[O-])C=C1	REAL300012001405	0	55	0.0	-29.63	393.79	12.44	-17.19
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(F)N=C2)C(=O)[O-])C=C1	REAL300012001406	0	47	0.0	-31.30	373.58	10.14	-21.16
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)S2)C(=O)[O-])C=C1	REAL300012001407	0	48	0.0	-27.34	401.90	12.24	-15.10
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])NN=C1	REAL300012001408	0	48	0.0	-28.34	372.34	8.96	-19.38
CC1=CNN=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001408	1	48	0.0	-26.54	373.17	9.01	-17.53
CC1=CN=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])N1C	REAL300012001409	1	51	0.0	-25.00	392.67	10.82	-14.18
CC(C)C1CCC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])CC1	REAL300012001410	0	63	0.0	-29.60	449.27	14.03	-15.57
COCC1=CC=CC=C1C=C(C)C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001411	0	62	0.0	-31.45	470.84	13.58	-17.87
CN1N=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1Cl	REAL300012001412	0	48	0.0	-28.45	390.99	10.11	-18.34
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CC=CN=C3O2)C(=O)[O-])C=C1	REAL300012001413	0	50	0.0	-29.76	395.01	9.46	-20.30
CC1=CN=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001414	0	50	0.0	-27.61	377.60	10.67	-16.94
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C(=O)[O-])C=C1	REAL300012001415	0	50	0.0	-27.92	410.45	9.90	-18.02
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012001416	0	55	0.0	-31.42	421.52	14.09	-17.33
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=NC=C2Br)C(=O)[O-])C=C1	REAL300012001417	0	47	0.0	-28.42	379.39	10.61	-17.81
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(S(C)(=O)=O)S2)C(=O)[O-])C=C1	REAL300012001418	0	51	0.0	-33.96	425.46	8.67	-25.29
CC(C)N1C=CN=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001420	1	54	0.0	-24.15	413.17	11.80	-12.35
CC1=NC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])N1C	REAL300012001421	0	51	0.0	-31.80	390.71	10.85	-20.95
CC1=C2C=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])NC2=CC=C1	REAL300012001422	0	55	0.0	-29.07	425.16	12.56	-16.51
CC1=CC=C2C=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])NC2=C1	REAL300012001423	0	55	0.0	-29.10	424.29	12.53	-16.57
CC1=NC=CN=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001424	0	49	0.0	-30.70	378.01	8.73	-21.97
CCOC1=CN=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001425	0	54	0.0	-30.38	418.64	10.38	-20.00
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=NC=C2Cl)C(=O)[O-])C=C1	REAL300012001426	0	47	0.0	-25.04	379.61	10.67	-14.37
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=NN2C2CCOCC2)C(=O)[O-])C=C1	REAL300012001427	0	59	0.0	-30.45	446.83	10.55	-19.90
CCC(F)(F)C(C)(C)C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001428	0	56	0.0	-33.00	411.83	12.35	-20.65
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=NC(F)=C2)C(=O)[O-])C=C1	REAL300012001429	0	47	0.0	-34.47	373.67	10.15	-24.32
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])C=C1	REAL300012001430	0	52	0.0	-28.98	402.41	11.96	-17.02
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=C(C=CNC3=O)O2)C(=O)[O-])C=C1	REAL300012001431	1	51	0.0	-38.30	404.97	9.46	-28.84
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C(F)F)N=C2)C(=O)[O-])C=C1	REAL300012001432	0	50	0.0	-31.04	400.34	11.10	-19.94
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(CC3CCOC3)N=N2)C(=O)[O-])C=C1	REAL300012001433	0	58	0.0	-31.06	444.58	9.43	-21.63
COC1=CN=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1C	REAL300012001434	0	54	0.0	-28.37	407.77	10.05	-18.32
CC1=CC(C)=C(C=CC[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(C)=C1	REAL300012001435	0	61	0.0	-30.11	462.34	15.10	-15.01
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(CC3CCCO3)N=N2)C(=O)[O-])C=C1	REAL300012001436	0	58	0.0	-29.92	447.36	9.56	-20.36
CCCN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])N=N1	REAL300012001437	0	53	0.0	-27.43	410.76	10.04	-17.39
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(C3CC3)C=N2)C(=O)[O-])C=C1	REAL300012001438	0	52	0.0	-25.75	402.41	12.58	-13.17
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C(=O)[O-])C=C1	REAL300012001439	0	53	0.0	-37.78	419.78	12.42	-25.36
CC1=CC(C)=C(C=CC[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1C	REAL300012001440	0	61	0.0	-30.37	457.93	14.96	-15.41
CC1=NSC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001441	0	47	0.0	-27.95	378.91	10.39	-17.56
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C(=O)[O-])C=C1	REAL300012001442	0	53	0.0	-36.25	426.59	6.93	-29.32
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C(C3CC3)O2)C(=O)[O-])C=C1	REAL300012001444	1	51	0.0	-28.06	401.08	9.28	-18.78
CCC1=CNC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=N1	REAL300012001445	1	51	0.0	-26.43	395.14	10.04	-16.39
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NC=CC3=C2CCCC3)C(=O)[O-])C=C1	REAL300012001446	0	57	0.0	-29.58	424.56	12.52	-17.06
CN1C=CC(C2=NC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=CS2)=N1	REAL300012001447	1	54	0.0	-29.78	441.97	10.45	-19.33
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C3OCCCC3=C2)C(=O)[O-])C=C1	REAL300012001448	0	56	0.0	-29.20	424.74	12.57	-16.63
CN(C)C(=O)C1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001449	0	58	0.0	-35.69	443.20	11.78	-23.91
CCC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(Cl)=NN1	REAL300012001450	0	51	0.0	-25.10	410.42	10.11	-14.99
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C(C3CC3)NN=C2Cl)C(=O)[O-])C=C1	REAL300012001451	0	52	0.0	-30.52	418.68	10.93	-19.59
CCN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])N=N1	REAL300012001452	0	50	0.0	-27.86	389.26	9.27	-18.59
CC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012001453	0	60	0.0	-26.95	441.20	13.05	-13.90
CCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])O1	REAL300012001454	1	52	0.0	-26.37	406.65	11.45	-14.92
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CSC(C(F)(F)F)=N2)C(=O)[O-])C=C1	REAL300012001455	0	47	0.0	-26.36	398.01	10.08	-16.28
CCN1C=NC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001456	0	51	0.0	-26.82	396.24	12.15	-14.67
CC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CN=C1F	REAL300012001457	0	50	0.0	-33.74	393.96	10.76	-22.98
CC1=CC(F)=NC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001458	0	50	0.0	-28.37	383.93	10.60	-17.77
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C(F)F)C(F)=C2)C(=O)[O-])C=C1	REAL300012001459	0	51	0.0	-30.43	411.56	12.94	-17.49
COC(=O)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1C	REAL300012001460	0	57	0.0	-31.14	441.84	13.13	-18.01
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(C)=C1	REAL300012001461	0	55	0.0	-27.17	411.66	11.73	-15.44
CC1=C(Cl)C=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1Cl	REAL300012001462	0	51	0.0	-28.64	416.96	13.43	-15.21
CC1CC2=CC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=CC=C2O1	REAL300012001463	0	56	0.0	-30.41	429.24	12.58	-17.83
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC3=C2OC(=O)N3)C(=O)[O-])C=C1	REAL300012001464	0	51	0.0	-41.12	402.80	9.43	-31.69
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC3=C2OCC3)C(=O)[O-])C=C1	REAL300012001465	0	53	0.0	-30.23	406.79	11.76	-18.47
CSCC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001466	0	55	0.0	-29.06	437.16	13.82	-15.24
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(CC3CCC3)N=C2)C(=O)[O-])C=C1	REAL300012001467	0	58	0.0	-32.10	443.29	12.68	-19.42
CN1N=C2CCOCC2=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001468	0	56	0.0	-27.81	425.39	9.50	-18.31
CN1N=C2CCCC2=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001469	0	55	0.0	-27.82	416.91	11.38	-16.44
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=NN2C2CCC2)C(=O)[O-])C=C1	REAL300012001470	0	55	0.0	-28.32	419.82	11.70	-16.62
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(C3CCC3)N=C2)C(=O)[O-])C=C1	REAL300012001471	0	55	0.0	-28.06	419.17	11.72	-16.34
COC1=CC=C(C)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001472	0	55	0.0	-26.08	413.33	11.79	-14.29
CN1C=NC2=CC=CC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=C21	REAL300012001473	0	54	0.0	-29.63	406.55	13.01	-16.62
CCC1=CC=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001474	0	54	0.0	-25.83	402.83	13.18	-12.65
CN(C)C(=O)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001475	0	58	0.0	-37.28	441.72	11.76	-25.52
CC1=CC(F)=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001476	0	51	0.0	-30.71	400.14	12.71	-18.00
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(C)=C1C	REAL300012001477	0	57	0.0	-25.20	416.89	13.53	-11.67
CCNC(=O)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001478	0	58	0.0	-37.24	450.32	11.10	-26.14
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C3CCCCCN23)C(=O)[O-])C=C1	REAL300012001479	0	58	0.0	-31.07	428.42	12.38	-18.69
COC1=CC=C2SC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=CC2=C1	REAL300012001480	0	55	0.0	-28.11	437.97	12.75	-15.36
CCN1CCC2=CC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=CC=C21	REAL300012001481	0	60	0.0	-28.18	450.31	12.56	-15.62
CCN(C)C(=O)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001482	0	61	0.0	-37.54	465.22	12.84	-24.70
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=NN1C(C)C	REAL300012001483	0	57	0.0	-27.61	435.29	11.76	-15.85
CSC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1Cl	REAL300012001484	0	52	0.0	-28.87	427.59	13.44	-15.43
CC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012001485	0	58	0.0	-27.10	438.07	14.55	-12.55
CCOC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=N1	REAL300012001486	0	54	0.0	-32.39	421.27	9.62	-22.77
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1C1CC1	REAL300012001487	0	58	0.0	-27.29	438.79	14.61	-12.68
COC(=O)C1=CC2=C(C=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])O2)N1	REAL300012001488	0	55	0.0	-29.79	439.63	10.72	-19.07
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])O1	REAL300012001489	1	49	0.0	-27.14	386.12	10.55	-16.59
COCCOC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])O1	REAL300012001490	1	56	0.0	-28.69	440.28	10.69	-18.00
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NN(CCF)C=C2)C(=O)[O-])C=C1	REAL300012001491	0	51	0.0	-27.23	402.03	10.64	-16.59
CCN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(C)=N1	REAL300012001492	0	54	0.0	-30.53	414.34	11.16	-19.37
CN1N=C(C2CC2)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001493	0	55	0.0	-29.51	423.36	11.58	-17.93
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001494	0	58	0.0	-32.10	439.78	14.86	-17.24
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C(C3CCOCC3)O2)C(=O)[O-])C=C1	REAL300012001495	1	58	0.0	-29.67	444.64	8.43	-21.24
COC1=NC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1F	REAL300012001496	0	51	0.0	-35.23	403.71	8.68	-26.55
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN3C=CN=C3S2)C(=O)[O-])C=C1	REAL300012001497	0	48	0.0	-30.94	388.42	11.89	-19.05
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012001498	0	60	0.0	-25.85	454.88	13.52	-12.33
CC1=C(C)SC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=N1	REAL300012001499	1	50	0.0	-29.55	396.52	10.38	-19.17
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)C(=O)[O-])C=C1	REAL300012001500	0	57	0.0	-28.87	449.20	12.27	-16.60
CC1OC2=CC=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])C=C2C1C	REAL300012001501	0	59	0.0	-30.30	445.71	13.08	-17.22
CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1OC(F)F	REAL300012001502	0	55	0.0	-32.56	431.65	12.30	-20.26
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CSN=C2)C(=O)[O-])C=C1	REAL300012001503	0	44	0.0	-30.68	355.54	9.57	-21.11
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012001504	0	51	0.0	-30.75	410.09	9.84	-20.91
CC(C)CN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])N=N1	REAL300012001505	0	56	0.0	-27.38	430.55	10.78	-16.60
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NC(C3CC3)=CS2)C(=O)[O-])C=C1	REAL300012001506	1	51	0.0	-30.18	406.87	11.17	-19.01
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(C(F)(F)F)=NN2)C(=O)[O-])C=C1	REAL300012001507	0	48	0.0	-32.47	393.42	9.31	-23.16
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C3CCOC3=C2)C(=O)[O-])C=C1	REAL300012001508	0	53	0.0	-31.11	406.89	11.79	-19.32
CN1C=C(Cl)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=N1	REAL300012001509	0	48	0.0	-27.14	390.48	10.14	-17.00
CSC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001510	0	52	0.0	-30.70	412.57	12.99	-17.71
CC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC(C)=N1	REAL300012001511	0	53	0.0	-29.50	409.11	11.39	-18.11
CCCN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(C)=N1	REAL300012001512	0	57	0.0	-30.23	435.81	11.92	-18.31
CCN1C=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=N1	REAL300012001513	0	51	0.0	-26.76	395.44	10.52	-16.24
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=NC=CC=C3O2)C(=O)[O-])C=C1	REAL300012001514	0	50	0.0	-31.02	394.99	10.70	-20.32
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(CC3CC3)S2)C(=O)[O-])C=C1	REAL300012001516	0	55	0.0	-25.40	436.23	14.18	-11.22
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(OC3CC3)C=C2)C(=O)[O-])C=C1	REAL300012001517	0	56	0.0	-30.29	432.90	12.95	-17.34
CNC(=O)C1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001518	0	55	0.0	-39.84	428.84	10.25	-29.59
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C(=O)[O-])C=C1	REAL300012001519	0	62	0.0	-27.44	465.96	15.96	-11.48
CCNC(=O)C1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001521	0	58	0.0	-39.31	450.32	11.09	-28.22
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012001522	0	54	0.0	-26.81	426.80	13.20	-13.61
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(C3CCC3)=NN2)C(=O)[O-])C=C1	REAL300012001523	0	55	0.0	-29.24	419.47	10.88	-18.36
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001524	0	58	0.0	-31.42	452.43	13.10	-18.32
CCCN1C=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=N1	REAL300012001525	0	54	0.0	-26.40	416.94	11.28	-15.12
CC(C)N1C=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=N1	REAL300012001526	0	54	0.0	-25.89	414.11	11.01	-14.88
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=CC(C(C)(C)C)=C2)C(=O)[O-])C=C1	REAL300012001527	0	59	0.0	-28.08	443.76	12.48	-15.60
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NN(CC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012001528	0	51	0.0	-30.35	413.32	11.00	-19.35
CN1C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=NC2=C1CCCC2	REAL300012001529	1	58	0.0	-24.85	435.94	12.66	-12.19
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C(F)F)=C2F)C(=O)[O-])C=C1	REAL300012001530	0	51	0.0	-37.77	410.95	12.91	-24.86
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC3=C2COCC3)C(=O)[O-])C=C1	REAL300012001531	0	56	0.0	-28.59	415.29	11.87	-16.72
CCOC1=CC=C(Cl)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001532	0	55	0.0	-27.29	437.76	12.74	-14.55
COC1=NN(C)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001533	0	52	0.0	-34.64	406.75	7.66	-26.98
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300012001534	1	52	0.0	-31.11	411.78	9.31	-21.80
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=C(CCCC3)O2)C(=O)[O-])C=C1	REAL300012001535	0	55	0.0	-26.41	416.64	12.80	-13.61
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C(=O)[O-])C=C1	REAL300012001536	0	50	0.0	-32.21	405.62	12.68	-19.53
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(C3CCCCC3)N=C2)C(=O)[O-])C=C1	REAL300012001537	0	61	0.0	-28.15	457.01	13.03	-15.12
CN(CCO)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=N1	REAL300012001539	0	59	0.0	-30.22	451.90	9.55	-20.67
COC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012001540	0	64	0.0	-25.33	464.39	13.67	-11.66
CN1C=C(Br)N=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001541	0	48	0.0	-35.58	393.72	10.83	-24.75
COC1=CC(C)=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=N1	REAL300012001542	0	54	0.0	-28.05	411.54	9.21	-18.84
COC1=CC(C)=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1O	REAL300012001543	0	56	0.0	-27.52	423.68	9.52	-18.00
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C(=O)[O-])C=C1	REAL300012001544	0	54	0.0	-27.41	427.79	11.05	-16.36
CN1C(=O)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012001545	0	57	0.0	-27.44	438.84	12.75	-14.69
COC1=NC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1C	REAL300012001546	0	54	0.0	-25.78	419.66	9.36	-16.42
CCCN1C=NC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001547	0	54	0.0	-29.08	399.21	12.44	-16.64
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012001548	0	48	0.0	-29.82	374.65	8.85	-20.97
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC=CC2=CC=C3OCOC3=C2)C(=O)[O-])C=C1	REAL300012001549	0	55	0.0	-36.36	429.47	11.92	-24.44
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(CC3CCC3)C=C2)C(=O)[O-])C=C1	REAL300012001550	0	61	0.0	-27.23	462.11	15.46	-11.77
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(C3CC3)=NN2)C(=O)[O-])C=C1	REAL300012001551	0	52	0.0	-29.67	403.97	10.44	-19.23
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=NN2C2CC2(F)F)C(=O)[O-])C=C1	REAL300012001552	0	52	0.0	-31.19	415.59	11.49	-19.70
COC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=CS1	REAL300012001553	0	49	0.0	-28.50	393.90	10.39	-18.11
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C(C)(F)F)=C2)C(=O)[O-])C=C1	REAL300012001554	0	54	0.0	-29.62	425.58	13.50	-16.12
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C(=O)[O-])C=C1	REAL300012001555	0	54	0.0	-32.77	435.25	12.76	-20.01
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=C(C(C)(C)C#N)S2)C(=O)[O-])C=C1	REAL300012001556	0	54	0.0	-28.82	439.00	11.32	-17.50
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(F)=CC(F)=C2F)C(=O)[O-])C=C1	REAL300012001557	0	48	0.0	-25.45	388.29	12.10	-13.35
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C(=O)[O-])C=C1	REAL300012001558	0	55	0.0	-28.95	436.61	14.35	-14.60
CC(C)(C)C1=NNC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001559	0	57	0.0	-29.87	434.32	10.81	-19.06
CCN1CCCC2=CC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=CC=C21	REAL300012001560	0	63	0.0	-27.85	461.28	13.11	-14.74
CN1N=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1Br	REAL300012001561	0	48	0.0	-27.65	395.12	10.19	-17.46
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC=CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012001562	0	52	0.0	-31.15	403.40	13.27	-17.88
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN=NN2C2CC2)C(=O)[O-])C=C1	REAL300012001563	0	51	0.0	-32.88	398.83	9.99	-22.89
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C3CCOCC3=C2)C(=O)[O-])C=C1	REAL300012001564	0	56	0.0	-29.41	424.75	12.01	-17.40
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(CCO)N=C2)C(=O)[O-])C=C1	REAL300012001565	0	52	0.0	-33.58	408.13	7.28	-26.30
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012001566	0	54	0.0	-25.96	433.06	14.08	-11.88
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C(=O)[O-])C=C1	REAL300012001567	0	54	0.0	-33.77	426.98	10.14	-23.63
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC=CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300012001568	0	51	0.0	-34.10	398.38	11.50	-22.60
C=CC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001569	0	52	0.0	-27.76	402.16	13.03	-14.73
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(OCC3CCC3)=C2)C(=O)[O-])C=C1	REAL300012001570	0	62	0.0	-30.45	471.96	14.33	-16.12
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC=C2C(C)(F)F)C(=O)[O-])C=C1	REAL300012001571	0	54	0.0	-33.19	412.88	13.47	-19.72
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CN=CC=C3C=C2)C(=O)[O-])C=C1	REAL300012001572	0	53	0.0	-31.71	413.32	12.45	-19.26
CC1=CC2=CC=CC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=C2O1	REAL300012001573	0	54	0.0	-32.00	421.59	13.13	-18.87
COC1=CSC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1OC	REAL300012001574	0	53	0.0	-29.58	421.52	10.12	-19.46
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(S(C)(=O)=O)=CO2)C(=O)[O-])C=C1	REAL300012001575	1	51	0.0	-35.35	414.86	7.52	-27.83
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C(=O)[O-])C=C1	REAL300012001576	0	51	0.0	-26.32	415.61	13.03	-13.29
CC(C)OC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1F	REAL300012001577	0	58	0.0	-29.54	446.54	12.86	-16.68
CCN1C=C(Cl)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=N1	REAL300012001578	0	51	0.0	-27.51	413.33	11.04	-16.47
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(F)C(Cl)=C2F)C(=O)[O-])C=C1	REAL300012001579	0	48	0.0	-26.58	398.96	12.57	-14.01
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C(F)F)=C2)C(=O)[O-])C=C1	REAL300012001580	0	51	0.0	-29.10	403.23	12.80	-16.30
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C(=O)[O-])C=C1	REAL300012001581	0	54	0.0	-32.28	422.90	14.24	-18.04
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(S(C)(=O)=O)=CS2)C(=O)[O-])C=C1	REAL300012001582	0	51	0.0	-34.77	423.27	8.53	-26.24
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012001583	0	45	0.0	-26.93	378.02	11.50	-15.43
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012001584	0	58	0.0	-27.48	440.95	12.42	-15.06
CC1=NN(C2CCCC2)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001585	0	61	0.0	-28.77	460.62	13.01	-15.76
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=NN2CC(F)F)C(=O)[O-])C=C1	REAL300012001586	0	51	0.0	-30.66	404.97	10.61	-20.05
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C(=O)[O-])C=C1	REAL300012001587	0	55	0.0	-31.30	437.60	13.26	-18.04
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001588	0	57	0.0	-26.78	448.45	12.33	-14.45
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NN(C3CCC3)C=C2)C(=O)[O-])C=C1	REAL300012001589	0	55	0.0	-25.93	417.15	11.52	-14.41
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NN(CC(F)F)C=C2)C(=O)[O-])C=C1	REAL300012001590	0	51	0.0	-28.80	408.43	10.80	-18.00
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NN(C3CC3(F)F)C=C2)C(=O)[O-])C=C1	REAL300012001591	0	52	0.0	-31.28	418.28	11.41	-19.87
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001592	0	64	0.0	-29.04	474.63	13.54	-15.50
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CN(C3CCOCC3)N=C2)C(=O)[O-])C=C1	REAL300012001593	0	59	0.0	-29.43	446.46	10.58	-18.85
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001594	0	62	0.0	-30.59	467.39	11.20	-19.39
CC1=CN(C)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=N1	REAL300012001595	1	51	0.0	-33.86	394.79	10.96	-22.90
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NN(C3CCCC3)C=C2)C(=O)[O-])C=C1	REAL300012001596	0	58	0.0	-25.82	438.15	12.33	-13.49
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(S(N)(=O)=O)=CS2)C(=O)[O-])C=C1	REAL300012001597	0	50	0.0	-35.45	418.17	5.98	-29.47
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=NC=C(Cl)C=C2Cl)C(=O)[O-])C=C1	REAL300012001598	0	47	0.0	-24.60	398.21	11.07	-13.53
CC1=NSC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001599	0	47	0.0	-29.10	370.78	10.14	-18.96
CC1=NN(C2CCCC2)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001600	0	61	0.0	-28.88	455.68	12.95	-15.93
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC=C2C(F)F)C(=O)[O-])C=C1	REAL300012001601	0	51	0.0	-27.14	395.09	12.73	-14.41
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=CNN=C3C=C2)C(=O)[O-])C=C1	REAL300012001602	0	51	0.0	-36.27	398.58	10.68	-25.59
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(Cl)C(F)=C2F)C(=O)[O-])C=C1	REAL300012001603	0	48	0.0	-25.96	398.07	12.53	-13.43
CC1=C(F)C=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001604	0	51	0.0	-29.15	389.15	12.52	-16.63
CN1C=C(C2=CC=CC(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])=C2)C=N1	REAL300012001605	0	58	0.0	-34.10	452.49	13.27	-20.83
COC1=C(C#N)C=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001606	0	53	0.0	-34.23	420.74	11.74	-22.49
COC1=NC2=CC=C(C[NH2+][C@H](CC3=CC=C(C(C)(C)C)C=C3)C(=O)[O-])C=C2S1	REAL300012001607	0	54	0.0	-31.15	436.77	9.80	-21.35
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012001608	0	47	0.0	-33.15	388.71	10.71	-22.44
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(F)=CC(Cl)=C2Cl)C(=O)[O-])C=C1	REAL300012001609	0	48	0.0	-23.74	404.50	12.92	-10.82
CC1=NC(Cl)=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001610	0	50	0.0	-30.46	395.89	11.11	-19.35
CC(C)(C)COC1=CC=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001611	0	64	0.0	-29.45	482.83	14.27	-15.18
COC1=CC(Cl)=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001612	0	52	0.0	-29.05	418.60	11.79	-17.26
COC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC(F)=C1F	REAL300012001613	0	52	0.0	-31.79	413.02	11.36	-20.43
COC1=CC(C)=NC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001614	0	54	0.0	-29.39	417.61	10.18	-19.21
CC(C)N1C=NC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001615	0	54	0.0	-26.02	415.85	12.54	-13.48
COC(=O)C1=C(C)NC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1C	REAL300012001616	0	58	0.0	-33.95	452.72	11.64	-22.31
CC(C)OC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])O1	REAL300012001617	1	55	0.0	-26.77	428.27	12.20	-14.57
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC(F)=CC(C#N)=C2)C(=O)[O-])C=C1	REAL300012001618	0	49	0.0	-33.05	398.28	12.39	-20.66
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3CCCCC3)C=C2)C(=O)[O-])C=C1	REAL300012001619	0	64	0.0	-27.59	474.22	15.79	-11.80
COC1=CC=CC=C1C=CC[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001620	0	56	0.0	-33.64	431.74	12.62	-21.02
CC1=NN(C2CCC2)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001621	0	58	0.0	-29.69	438.11	12.29	-17.40
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012001622	0	54	0.0	-30.11	424.66	11.31	-18.80
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C(=O)[O-])C=C1	REAL300012001623	0	56	0.0	-32.23	441.55	12.32	-19.91
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001624	0	55	0.0	-33.71	435.67	11.23	-22.48
COC1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(C)=N1	REAL300012001625	0	54	0.0	-29.16	411.17	9.16	-20.00
CCN(C)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C(C)=C1	REAL300012001626	0	62	0.0	-25.48	455.44	13.78	-11.70
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=C(Cl)C(Cl)=CS2)C(=O)[O-])C=C1	REAL300012001627	0	45	0.0	-29.25	393.81	12.01	-17.24
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=NS1	REAL300012001628	0	47	0.0	-27.19	371.80	10.30	-16.89
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=NO1	REAL300012001629	0	47	0.0	-27.59	366.25	10.18	-17.41
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(CF)C=C2)C(=O)[O-])C=C1	REAL300012001630	0	51	0.0	-30.06	400.34	12.80	-17.26
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C3SC=CC3=C2)C(=O)[O-])C=C1	REAL300012001631	0	51	0.0	-29.66	409.29	13.33	-16.33
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C(=O)[O-])C=C1	REAL300012001632	0	57	0.0	-31.47	440.42	13.60	-17.87
CC1=NSC(C)=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001633	0	50	0.0	-26.48	391.50	10.70	-15.78
C=CCN1C=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=N1	REAL300012001634	0	52	0.0	-32.69	409.51	11.21	-21.48
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC3=NNC=C3C=C2)C(=O)[O-])C=C1	REAL300012001635	0	51	0.0	-35.27	397.29	10.63	-24.64
CCC(C)C1=CC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012001636	0	60	0.0	-27.08	449.71	14.53	-12.55
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C(C)(F)F)=N2)C(=O)[O-])C=C1	REAL300012001637	0	53	0.0	-26.22	420.15	11.87	-14.35
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC3=C2CCCC3)C(=O)[O-])C=C1	REAL300012001638	0	58	0.0	-25.98	426.81	14.35	-11.63
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001639	0	55	0.0	-30.42	430.90	13.82	-16.60
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=CC(C(F)(F)F)=C2F)C(=O)[O-])C=C1	REAL300012001640	0	51	0.0	-35.58	414.52	12.94	-22.64
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C(=O)[O-])C=C1	REAL300012001641	0	54	0.0	-39.00	423.41	11.84	-27.16
CC1=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012001642	0	57	0.0	-27.09	427.77	14.62	-12.47
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001643	0	66	0.0	-28.88	494.24	13.52	-15.36
COC1=C2C=CNC2=CC=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001644	0	56	0.0	-29.98	433.29	11.41	-18.57
CC1=NC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C(C)S1	REAL300012001645	1	50	0.0	-30.23	396.50	10.33	-19.90
CC(C)(C)C1=CC=C(C[C@@H]([NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C(=O)[O-])C=C1	REAL300012001646	0	61	0.0	-29.08	458.64	8.94	-20.14
CCCN1N=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1C	REAL300012001647	0	57	0.0	-27.66	434.99	11.87	-15.79
CC1=CC(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012001648	0	57	0.0	-32.82	443.89	13.31	-19.51
COC(=O)C1=CN(C)C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012001649	0	55	0.0	-37.62	432.96	12.05	-25.57
CCCN1N=C(C)C=C1C[NH2+][C@H](CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012001650	0	57	0.0	-26.98	422.92	11.47	-15.51
CC(C)(C)C1=NC=C(C[NH2+][C@H](CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])O1	REAL300012001651	1	56	0.0	-27.82	431.56	9.46	-18.36
CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1	REAL300012001652	0	53	0.0	-72.21	403.48	9.88	-62.33
CC1=CC=C(C)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001653	0	53	0.0	-75.73	402.38	9.75	-65.98
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CN=C3C=C2)C[C@H]1C(=O)[O-]	REAL300012001654	0	52	0.0	-82.92	408.36	8.95	-73.97
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CC3C=CC2C3)C[C@H]1C(=O)[O-]	REAL300012001655	0	52	0.0	-77.48	383.66	8.99	-68.49
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C[C@H]1C(=O)[O-]	REAL300012001656	0	53	0.0	-73.47	388.99	8.87	-64.60
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(C)(C)C)C=C2)C[C@H]1C(=O)[O-]	REAL300012001657	0	59	0.0	-75.29	440.39	10.73	-64.56
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CNN=C2C2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012001658	0	54	0.0	-75.19	423.45	8.46	-66.73
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Br)O2)C[C@H]1C(=O)[O-]	REAL300012001659	0	44	0.0	-81.46	368.25	7.33	-74.13
CCOC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1OC	REAL300012001660	0	58	0.0	-83.79	446.74	8.58	-75.21
CC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1C	REAL300012001661	0	53	0.0	-73.37	401.34	9.69	-63.68
CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C	REAL300012001662	0	53	0.0	-77.03	404.31	9.66	-67.37
CC(C)OC1=CC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001663	0	57	0.0	-67.70	435.17	9.51	-58.19
CCC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C2=CC=CC=C2O1	REAL300012001664	0	56	0.0	-78.33	431.02	10.42	-67.91
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(Cl)=C1	REAL300012001665	0	51	0.0	-70.81	409.41	8.33	-62.48
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C#N)=C2)C[C@H]1C(=O)[O-]	REAL300012001666	0	48	0.0	-82.78	388.10	8.98	-73.80
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CNN=C2C2=CC=CS2)C[C@H]1C(=O)[O-]	REAL300012001667	0	51	0.0	-75.29	409.88	7.59	-67.70
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC3=CC=CC=C23)C[C@H]1C(=O)[O-]	REAL300012001668	0	50	0.0	-76.45	404.13	9.98	-66.47
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CC=C3OC2)C[C@H]1C(=O)[O-]	REAL300012001669	0	53	0.0	-79.19	414.27	9.06	-70.13
CC1=CC=C(C2=NNC=C2C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012001670	0	54	0.0	-76.48	427.19	7.58	-68.90
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CNN=C2C2=CC=CN=C2)C[C@H]1C(=O)[O-]	REAL300012001671	0	53	0.0	-80.20	419.70	6.66	-73.54
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)S2)C[C@H]1C(=O)[O-]	REAL300012001672	0	44	0.0	-77.21	374.49	8.31	-68.90
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=CC=CN=C32)C[C@H]1C(=O)[O-]	REAL300012001673	0	52	0.0	-71.71	405.96	8.98	-62.73
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C[C@H]1C(=O)[O-]	REAL300012001674	0	54	0.0	-87.25	424.49	9.66	-77.59
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C[C@H]1C(=O)[O-]	REAL300012001675	0	53	0.0	-88.54	419.43	10.98	-77.56
CCC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012001676	0	50	0.0	-77.84	390.05	8.19	-69.65
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=CC=C2F)C[C@H]1C(=O)[O-]	REAL300012001677	0	47	0.0	-73.16	379.20	8.69	-64.47
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C=C2Cl)C[C@H]1C(=O)[O-]	REAL300012001678	0	47	0.0	-72.62	386.34	9.11	-63.51
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C(Cl)=C2)C[C@H]1C(=O)[O-]	REAL300012001679	0	47	0.0	-81.63	389.82	9.16	-72.47
CCOC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001680	0	54	0.0	-74.57	418.59	8.83	-65.74
CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1F	REAL300012001681	0	50	0.0	-82.12	392.87	9.17	-72.95
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(Cl)=CC=C2Cl)C[C@H]1C(=O)[O-]	REAL300012001682	0	47	0.0	-71.04	397.66	9.54	-61.50
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=C(F)C(F)=C2)C[C@H]1C(=O)[O-]	REAL300012001683	0	47	0.0	-91.95	385.14	8.65	-83.30
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CC=C3S2)C[C@H]1C(=O)[O-]	REAL300012001684	0	50	0.0	-76.53	404.61	10.12	-66.41
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)C(F)=C2)C[C@H]1C(=O)[O-]	REAL300012001685	0	47	0.0	-81.71	389.82	9.17	-72.54
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CN=C2Cl)C[C@H]1C(=O)[O-]	REAL300012001686	0	46	0.0	-80.65	373.05	7.08	-73.57
CC(C)C1=NN(C)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001687	0	56	0.0	-78.96	429.42	8.04	-70.92
COCCOC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001688	0	58	0.0	-75.84	452.22	8.10	-67.74
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1Cl	REAL300012001689	0	51	0.0	-78.86	412.77	8.45	-70.41
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2OCCO3)C[C@H]1C(=O)[O-]	REAL300012001690	0	53	0.0	-71.89	410.14	7.81	-64.08
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2OCCCO3)C[C@H]1C(=O)[O-]	REAL300012001691	0	56	0.0	-75.34	424.00	8.43	-66.91
CCCOC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001692	0	57	0.0	-79.10	438.67	9.49	-69.61
CC(C)OC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001693	0	57	0.0	-74.26	436.53	9.45	-64.81
CC(C)C1=NC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CS1	REAL300012001694	1	52	0.0	-76.58	413.67	7.48	-69.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC(C(C)(C)C)=N2)C[C@H]1C(=O)[O-]	REAL300012001695	1	55	0.0	-72.94	433.93	8.14	-64.80
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)OC=C1	REAL300012001696	0	47	0.0	-73.82	368.55	7.36	-66.46
CC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CN=C1Cl	REAL300012001697	0	49	0.0	-83.65	397.74	7.83	-75.82
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C3=CC=CN=C23)C[C@H]1C(=O)[O-]	REAL300012001698	0	52	0.0	-72.02	412.64	9.15	-62.87
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=CC3=CC=CN=C32)C[C@H]1C(=O)[O-]	REAL300012001699	0	52	0.0	-74.19	412.29	9.07	-65.12
COC1=CC=C2OC(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC2=C1	REAL300012001700	0	54	0.0	-80.20	424.60	8.41	-71.79
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC=CC2=CC=C(Cl)C=C2)C[C@H]1C(=O)[O-]	REAL300012001701	0	51	0.0	-81.79	413.67	10.27	-71.52
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C2=CC=CC=C2O1	REAL300012001702	0	53	0.0	-77.88	417.20	9.74	-68.14
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=COC3=CC=CC=C23)C[C@H]1C(=O)[O-]	REAL300012001703	0	50	0.0	-80.86	394.06	8.83	-72.03
CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=C1	REAL300012001704	0	49	0.0	-75.55	380.74	7.23	-68.32
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC=CC2=CC=C(F)C=C2F)C[C@H]1C(=O)[O-]	REAL300012001705	0	51	0.0	-79.20	410.19	9.99	-69.21
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C[C@H]1C(=O)[O-]	REAL300012001706	0	54	0.0	-77.12	426.13	9.71	-67.41
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(Cl)SC=C2)C[C@H]1C(=O)[O-]	REAL300012001707	0	44	0.0	-75.30	370.29	8.00	-67.30
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(Cl)=CC3=C2OCC3)C[C@H]1C(=O)[O-]	REAL300012001708	0	52	0.0	-73.29	416.67	8.75	-64.54
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=C(F)C=CC=C3N2)C[C@H]1C(=O)[O-]	REAL300012001709	0	51	0.0	-85.66	404.53	8.47	-77.19
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=C(F)C=C3N2)C[C@H]1C(=O)[O-]	REAL300012001710	0	51	0.0	-81.98	405.53	8.61	-73.37
CCOC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012001711	0	53	0.0	-77.24	417.28	6.16	-71.08
CC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC2=CC=CN=C12	REAL300012001712	0	55	0.0	-81.82	429.50	9.77	-72.05
CC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1Cl	REAL300012001713	0	50	0.0	-81.58	401.36	9.55	-72.03
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C3C=CSC3=C2)C[C@H]1C(=O)[O-]	REAL300012001714	0	49	0.0	-82.42	400.12	8.05	-74.37
CCCC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001715	0	56	0.0	-77.15	430.52	10.67	-66.48
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C#N	REAL300012001716	0	52	0.0	-92.67	415.85	8.17	-84.50
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001717	0	53	0.0	-75.30	417.13	10.17	-65.13
CCOC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=C1	REAL300012001718	0	53	0.0	-79.36	412.21	6.83	-72.53
C=CCOC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001719	0	55	0.0	-78.13	430.06	9.28	-68.85
CC1=CC(C)=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C	REAL300012001720	0	56	0.0	-72.63	422.16	10.43	-62.20
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC(C)(C)C2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012001721	0	56	0.0	-76.78	413.86	10.16	-66.62
CC1CCC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)CC1	REAL300012001722	0	56	0.0	-76.46	400.61	9.18	-67.28
CC(CCC1=CC=CC=C1)C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001723	0	59	0.0	-77.68	444.83	11.33	-66.35
CCC1CCCC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C1	REAL300012001724	0	59	0.0	-73.79	428.02	10.14	-63.65
CCC1=CC=CC(Cl)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001725	0	53	0.0	-66.23	417.45	10.23	-56.00
CC1=C(C)C=C2OC(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC2=C1	REAL300012001726	0	56	0.0	-78.43	433.43	10.33	-68.10
CCCC1CCC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)CC1	REAL300012001727	0	62	0.0	-76.13	447.67	10.82	-65.31
CC1CCCCC1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001728	0	56	0.0	-75.67	403.79	9.25	-66.42
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C[C@H]1C(=O)[O-]	REAL300012001729	0	54	0.0	-87.68	421.87	10.84	-76.84
COC1=CC=C(C)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001730	0	54	0.0	-70.26	413.69	8.44	-61.82
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1F	REAL300012001731	0	51	0.0	-80.79	402.96	7.98	-72.81
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C[C@H]1C(=O)[O-]	REAL300012001732	0	56	0.0	-78.00	419.33	9.55	-68.45
CC(C)C1CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)CCO1	REAL300012001733	0	60	0.0	-75.39	437.03	8.71	-66.68
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C[C@H]1C(=O)[O-]	REAL300012001734	0	59	0.0	-76.68	421.12	9.70	-66.98
CCSC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001735	0	54	0.0	-74.50	428.92	10.46	-64.04
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(O)C=CC(Cl)=C2F)C[C@H]1C(=O)[O-]	REAL300012001736	1	48	0.0	-79.50	397.07	6.18	-73.32
COC1(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)CCCCC1	REAL300012001737	0	57	0.0	-71.52	411.17	7.90	-63.62
CCN1N=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C2=CC=CC=C21	REAL300012001738	0	56	0.0	-77.30	437.56	9.25	-68.05
COCCC1(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)CCCCC1	REAL300012001739	0	63	0.0	-77.29	443.37	8.69	-68.60
CCCOC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001740	0	57	0.0	-78.30	437.04	9.43	-68.87
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CC=C3O2)C[C@H]1C(=O)[O-]	REAL300012001741	0	50	0.0	-81.79	393.78	8.98	-72.81
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C[C@H]1C(=O)[O-]	REAL300012001742	0	54	0.0	-80.50	426.06	10.35	-70.15
CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1[N+](=O)[O-]	REAL300012001743	0	52	0.0	-88.82	411.43	9.79	-79.03
CC(C)OC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001744	0	57	0.0	-78.14	433.47	9.26	-68.88
CC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1F	REAL300012001745	0	50	0.0	-82.91	392.62	9.15	-73.76
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C3NC=CC3=CC=C2)C[C@H]1C(=O)[O-]	REAL300012001746	0	51	0.0	-79.47	397.50	8.46	-71.01
CC(C)CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001747	0	59	0.0	-76.93	447.29	11.14	-65.79
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1[N+](=O)[O-]	REAL300012001748	0	53	0.0	-93.53	421.66	9.19	-84.34
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C[C@H]1C(=O)[O-]	REAL300012001749	0	47	0.0	-81.15	397.65	9.42	-71.73
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=CC(Cl)=C2)C[C@H]1C(=O)[O-]	REAL300012001750	0	47	0.0	-80.35	390.37	9.17	-71.18
CC1=CC=CC(C)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001751	0	53	0.0	-74.88	398.97	9.53	-65.35
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(Br)=CO2)C[C@H]1C(=O)[O-]	REAL300012001752	0	44	0.0	-80.46	368.60	7.23	-73.23
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(OC(F)F)=C2)C[C@H]1C(=O)[O-]	REAL300012001753	0	51	0.0	-78.86	406.50	8.18	-70.68
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)C=C2F)C[C@H]1C(=O)[O-]	REAL300012001754	0	47	0.0	-73.94	389.53	9.14	-64.80
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(Cl)=CC=C2F)C[C@H]1C(=O)[O-]	REAL300012001755	0	47	0.0	-73.11	390.53	9.11	-64.00
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=CC(F)=C2)C[C@H]1C(=O)[O-]	REAL300012001756	0	47	0.0	-83.15	377.01	8.54	-74.61
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(Cl)=C2F)C[C@H]1C(=O)[O-]	REAL300012001757	0	47	0.0	-73.71	388.98	9.12	-64.59
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C[C@H]1C(=O)[O-]	REAL300012001758	0	54	0.0	-75.26	425.51	8.51	-66.75
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NNC=C2C2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012001758	1	54	0.0	-74.02	423.35	8.38	-65.64
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(F)=C2F)C[C@H]1C(=O)[O-]	REAL300012001759	0	47	0.0	-74.64	379.09	8.68	-65.96
CN1C2=CC=CC=C2N=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001760	0	53	0.0	-84.94	413.16	8.81	-76.13
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012001761	0	50	0.0	-81.65	395.29	5.27	-76.38
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3OCCC3=C2)C[C@H]1C(=O)[O-]	REAL300012001762	0	52	0.0	-78.67	403.13	8.44	-70.23
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C[C@H]1C(=O)[O-]	REAL300012001763	0	57	0.0	-77.65	442.47	11.98	-65.67
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(N3CCCC3)N=C2)C[C@H]1C(=O)[O-]	REAL300012001764	0	58	0.0	-82.82	439.74	8.38	-74.44
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C3C=CNC3=CC=C2)C[C@H]1C(=O)[O-]	REAL300012001765	0	51	0.0	-72.52	398.41	8.61	-63.91
CC1=CC(F)=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001766	0	50	0.0	-77.39	388.45	9.28	-68.11
CC1=NC(C)=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012001767	0	49	0.0	-78.80	391.76	6.93	-71.87
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C[C@H]1C(=O)[O-]	REAL300012001768	0	56	0.0	-74.79	438.90	10.49	-64.30
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C[C@H]1C(=O)[O-]	REAL300012001769	0	56	0.0	-82.20	435.37	10.10	-72.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C[C@H]1C(=O)[O-]	REAL300012001770	0	56	0.0	-80.60	436.66	10.25	-70.35
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001771	0	62	0.0	-79.74	458.79	8.97	-70.77
CNC(=O)C1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001772	0	54	0.0	-87.07	420.66	6.69	-80.38
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CC=C3C=C2)C[C@H]1C(=O)[O-]	REAL300012001773	0	53	0.0	-77.04	413.35	10.85	-66.19
COC1=C2OC(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC2=CC=C1	REAL300012001774	0	54	0.0	-80.97	424.62	8.42	-72.55
COC1=CC(OC)=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001775	0	55	0.0	-79.77	424.94	7.06	-72.71
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CC=C3NC2=O)C[C@H]1C(=O)[O-]	REAL300012001777	0	53	0.0	-80.33	417.56	7.64	-72.69
COC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1SC	REAL300012001778	0	55	0.0	-83.75	435.05	8.80	-74.95
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C[C@H]1C(=O)[O-]	REAL300012001779	0	54	0.0	-86.40	425.53	8.38	-78.02
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C[C@H]1C(=O)[O-]	REAL300012001780	1	53	0.0	-84.72	417.23	8.24	-76.48
CN1C=NC2=CC(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC=C21	REAL300012001781	0	53	0.0	-78.76	415.59	9.92	-68.84
CCN1N=C(C)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1C	REAL300012001782	0	56	0.0	-79.13	428.73	8.08	-71.05
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C[C@H]1C(=O)[O-]	REAL300012001783	0	58	0.0	-79.20	445.68	9.82	-69.38
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=COC(C3=CC=CC=C3)=N2)C[C@H]1C(=O)[O-]	REAL300012001784	1	53	0.0	-81.48	422.47	6.89	-74.59
CC1=CC=C(F)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001785	0	50	0.0	-74.47	390.12	9.13	-65.34
CC1=CC=C(F)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001786	0	50	0.0	-79.88	387.33	9.14	-70.74
CC1=NC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001787	0	49	0.0	-80.11	376.07	7.27	-72.84
CC(C)COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001788	0	60	0.0	-78.02	457.14	10.13	-67.89
COCCOC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001789	0	58	0.0	-80.30	449.17	7.90	-72.40
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCCC(C)(C)C2)C[C@H]1C(=O)[O-]	REAL300012001790	0	59	0.0	-74.79	419.20	9.61	-65.18
CC1=CCCC(C)C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001791	0	57	0.0	-73.38	409.69	9.82	-63.56
COC1=CC2=C(C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1)OCO2	REAL300012001792	0	54	0.0	-78.31	420.30	6.48	-71.83
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=CC3=CC=CC=C32)C[C@H]1C(=O)[O-]	REAL300012001793	0	52	0.0	-80.46	402.58	8.82	-71.64
CC(C)COC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001794	0	60	0.0	-74.18	460.20	10.32	-63.86
CC1=CC(Cl)=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001795	0	50	0.0	-76.31	398.79	9.72	-66.59
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC=CC2=CC=C(F)C=C2)C[C@H]1C(=O)[O-]	REAL300012001796	0	51	0.0	-82.75	403.36	9.82	-72.93
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)N=C2)C[C@H]1C(=O)[O-]	REAL300012001797	0	46	0.0	-83.16	379.96	7.21	-75.95
CN1N=NC2=CC(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC=C21	REAL300012001798	0	52	0.0	-91.75	409.89	6.90	-84.85
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCCCCC2)C[C@H]1C(=O)[O-]	REAL300012001799	0	56	0.0	-73.13	399.34	9.39	-63.74
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C[C@H]1C(=O)[O-]	REAL300012001800	0	58	0.0	-71.98	443.40	9.68	-62.30
COC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012001801	0	50	0.0	-77.34	395.43	5.23	-72.11
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C[C@H]1C(=O)[O-]	REAL300012001802	0	54	0.0	-76.57	425.60	9.79	-66.78
CC(C)N1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012001803	0	53	0.0	-77.78	410.22	7.79	-69.99
CC1=NC2=CC=C(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)C=C2C=C1	REAL300012001804	0	55	0.0	-83.25	429.94	9.57	-73.68
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=CC=C2C(F)(F)F)C[C@H]1C(=O)[O-]	REAL300012001805	0	49	0.0	-68.42	390.14	7.64	-60.78
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC(F)=CC=C3O2)C[C@H]1C(=O)[O-]	REAL300012001806	0	50	0.0	-80.83	401.53	9.19	-71.64
COCC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001807	0	54	0.0	-75.73	422.30	8.32	-67.41
CCCCOC1=CC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001808	0	60	0.0	-67.97	460.23	10.47	-57.50
COC1=CC(C)=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1OC	REAL300012001809	0	58	0.0	-79.31	441.76	8.38	-70.93
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CNN=C2C2=CSC=C2)C[C@H]1C(=O)[O-]	REAL300012001810	0	51	0.0	-76.13	414.93	7.41	-68.72
CC1CCC2=C(C1)SC(C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1)=N2	REAL300012001811	0	56	0.0	-71.21	436.56	8.95	-62.26
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCC(C(C)(C)C)CC2)C[C@H]1C(=O)[O-]	REAL300012001812	0	65	0.0	-75.77	448.91	10.55	-65.22
CC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C(C)O1	REAL300012001813	0	50	0.0	-77.48	387.96	8.07	-69.41
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(OCC3CC3)C=C2)C[C@H]1C(=O)[O-]	REAL300012001814	0	58	0.0	-80.13	448.93	10.26	-69.87
CC(C)CC1=NC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012001815	0	55	0.0	-78.90	432.58	8.42	-70.48
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(Cl)OC3=CC=CC=C32)C[C@H]1C(=O)[O-]	REAL300012001816	0	50	0.0	-78.51	410.03	9.40	-69.11
COCCOC1=CC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001817	0	58	0.0	-68.28	450.86	8.15	-60.13
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC3=C(CCC3)S2)C[C@H]1C(=O)[O-]	REAL300012001818	0	50	0.0	-73.97	394.84	7.56	-66.41
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001819	0	51	0.0	-78.56	393.69	7.70	-70.86
CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012001820	0	47	0.0	-74.96	370.60	7.51	-67.45
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012001821	0	47	0.0	-77.15	366.12	8.48	-68.67
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C(C)(C)C)S2)C[C@H]1C(=O)[O-]	REAL300012001822	0	55	0.0	-78.45	432.75	8.24	-70.21
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3OCCOC3=C2)C[C@H]1C(=O)[O-]	REAL300012001823	0	53	0.0	-78.29	411.73	7.76	-70.53
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(Br)=C2)C[C@H]1C(=O)[O-]	REAL300012001824	0	47	0.0	-76.05	388.53	9.21	-66.84
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(Cl)=C2)C[C@H]1C(=O)[O-]	REAL300012001825	0	47	0.0	-76.16	383.97	9.11	-67.05
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C3=CC=CC=C3)N=C2)C[C@H]1C(=O)[O-]	REAL300012001826	0	54	0.0	-79.82	426.03	9.80	-70.02
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C(C)(C)C)N=C2)C[C@H]1C(=O)[O-]	REAL300012001827	0	56	0.0	-75.64	429.99	8.41	-67.23
CC1=CC(C)=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001828	0	53	0.0	-75.67	407.13	9.73	-65.94
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(CO)O2)C[C@H]1C(=O)[O-]	REAL300012001829	0	48	0.0	-77.74	381.30	4.20	-73.54
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CS2)C[C@H]1C(=O)[O-]	REAL300012001830	0	44	0.0	-73.05	357.46	7.71	-65.34
CC(=O)NC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001831	0	54	0.0	-81.89	420.57	7.29	-74.60
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2Cl)C[C@H]1C(=O)[O-]	REAL300012001832	0	47	0.0	-71.75	379.11	9.08	-62.67
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC([N+](=O)[O-])=C2)C[C@H]1C(=O)[O-]	REAL300012001833	0	49	0.0	-85.80	395.46	9.27	-76.53
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C([N+](=O)[O-])C=C2)C[C@H]1C(=O)[O-]	REAL300012001834	0	49	0.0	-93.83	394.35	9.13	-84.70
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=CC=CC=C32)C[C@H]1C(=O)[O-]	REAL300012001835	0	53	0.0	-75.40	409.22	10.71	-64.69
CN(C)C1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001836	0	55	0.0	-76.92	418.41	8.88	-68.04
CCN(CC)C1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001837	0	61	0.0	-76.08	457.25	10.63	-65.45
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Br)C=C2)C[C@H]1C(=O)[O-]	REAL300012001838	0	47	0.0	-80.24	385.48	9.03	-71.21
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)C=C2)C[C@H]1C(=O)[O-]	REAL300012001839	0	47	0.0	-80.06	380.92	8.93	-71.13
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(F)C=CC=C2Cl)C[C@H]1C(=O)[O-]	REAL300012001840	0	47	0.0	-67.03	386.58	9.03	-58.00
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C=C2)C[C@H]1C(=O)[O-]	REAL300012001841	0	47	0.0	-81.18	370.60	8.47	-72.71
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2OC(F)F)C[C@H]1C(=O)[O-]	REAL300012001842	0	51	0.0	-73.45	405.13	8.23	-65.22
COC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1OC	REAL300012001843	0	55	0.0	-71.62	426.01	7.85	-63.77
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)C=C2Cl)C[C@H]1C(=O)[O-]	REAL300012001844	0	47	0.0	-71.85	396.66	9.55	-62.30
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1OC	REAL300012001845	0	55	0.0	-83.80	424.88	7.65	-76.15
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(OC)=C1	REAL300012001846	0	55	0.0	-71.01	424.79	7.26	-63.75
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)C=C2)C[C@H]1C(=O)[O-]	REAL300012001847	0	50	0.0	-82.97	402.92	9.41	-73.56
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C=C2F)C[C@H]1C(=O)[O-]	REAL300012001848	0	47	0.0	-74.69	379.21	8.69	-66.00
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(Cl)=C2Cl)C[C@H]1C(=O)[O-]	REAL300012001849	0	47	0.0	-71.43	395.12	9.50	-61.93
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)C(Cl)=C2)C[C@H]1C(=O)[O-]	REAL300012001850	0	47	0.0	-80.51	399.15	9.57	-70.94
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CC=CCC2)C[C@H]1C(=O)[O-]	REAL300012001851	0	51	0.0	-75.79	377.54	8.64	-67.15
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(OC(F)F)C=C2)C[C@H]1C(=O)[O-]	REAL300012001852	0	51	0.0	-81.05	403.44	7.99	-73.06
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2C(F)(F)F)C[C@H]1C(=O)[O-]	REAL300012001853	0	50	0.0	-73.65	396.76	9.64	-64.01
CCCCOC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001854	0	60	0.0	-78.27	458.54	10.21	-68.06
COC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001855	0	51	0.0	-74.72	396.74	7.90	-66.82
CC(=CC1=CC=CC=C1)C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001856	0	54	0.0	-76.71	412.38	10.18	-66.53
CCOC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1OC	REAL300012001857	0	58	0.0	-83.70	446.74	8.58	-75.12
CC(C)C1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001858	0	56	0.0	-75.44	424.41	10.34	-65.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C(F)(F)F)=C2)C[C@H]1C(=O)[O-]	REAL300012001859	0	50	0.0	-78.34	405.97	9.59	-68.75
CCOC1=CC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001860	0	54	0.0	-68.57	418.25	8.88	-59.69
CCOC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001861	0	54	0.0	-78.37	415.54	8.63	-69.74
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2F)C[C@H]1C(=O)[O-]	REAL300012001862	0	47	0.0	-73.57	371.80	8.64	-64.93
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(F)=C2)C[C@H]1C(=O)[O-]	REAL300012001863	0	47	0.0	-77.07	373.65	8.67	-68.40
COC1=CC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001864	0	51	0.0	-68.51	395.38	7.95	-60.56
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)SC=C1	REAL300012001865	0	47	0.0	-75.23	374.84	8.13	-67.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C[C@H]1C(=O)[O-]	REAL300012001866	0	57	0.0	-80.49	440.11	11.86	-68.63
CC1=CC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001867	0	50	0.0	-72.83	383.06	9.20	-63.63
CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001868	0	50	0.0	-75.47	385.59	9.08	-66.39
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C#N)C=C2)C[C@H]1C(=O)[O-]	REAL300012001869	0	48	0.0	-87.09	385.05	8.80	-78.29
CSC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001870	0	51	0.0	-78.85	404.40	9.43	-69.42
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(Cl)C=CC=C2Cl)C[C@H]1C(=O)[O-]	REAL300012001871	0	47	0.0	-68.55	394.23	9.31	-59.24
CC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001872	0	50	0.0	-73.72	388.64	9.27	-64.45
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC=C2)C[C@H]1C(=O)[O-]	REAL300012001873	0	44	0.0	-73.96	357.20	7.53	-66.43
CCC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001874	0	53	0.0	-75.48	407.07	9.85	-65.63
CC1=CC(C)=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1	REAL300012001875	0	56	0.0	-71.46	421.82	10.32	-61.14
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(F)C=CC=C2F)C[C@H]1C(=O)[O-]	REAL300012001876	0	47	0.0	-71.79	376.75	8.53	-63.26
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C(F)=C2)C[C@H]1C(=O)[O-]	REAL300012001877	0	47	0.0	-83.21	379.94	8.72	-74.49
CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012001878	0	47	0.0	-72.96	379.33	8.49	-64.47
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2Br)C[C@H]1C(=O)[O-]	REAL300012001879	0	47	0.0	-71.32	382.68	9.19	-62.13
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1O	REAL300012001880	0	52	0.0	-83.93	406.40	5.60	-78.33
CC1=NN(C)C(C)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001881	0	53	0.0	-79.37	406.81	7.19	-72.18
CC1=NN(C)C(Cl)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001882	0	50	0.0	-73.32	406.42	7.21	-66.11
CCC1=NN(C)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001883	0	53	0.0	-76.96	411.16	7.71	-69.25
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(CC(F)(F)F)N=C2)C[C@H]1C(=O)[O-]	REAL300012001884	0	50	0.0	-84.13	409.42	7.76	-76.37
CN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C(C)(C)C)=N1	REAL300012001885	0	59	0.0	-76.87	433.50	8.59	-68.28
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CN=C2)C[C@H]1C(=O)[O-]	REAL300012001886	0	46	0.0	-77.34	362.07	6.82	-70.52
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CO2)C[C@H]1C(=O)[O-]	REAL300012001887	0	44	0.0	-75.06	348.69	6.68	-68.38
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NC=C2)C[C@H]1C(=O)[O-]	REAL300012001888	0	46	0.0	-82.97	361.01	6.69	-76.28
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)O2)C[C@H]1C(=O)[O-]	REAL300012001889	0	44	0.0	-81.53	363.62	7.22	-74.31
CCOC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1OC	REAL300012001890	0	58	0.0	-71.46	447.86	8.77	-62.69
C#CCOC1=CC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001891	0	53	0.0	-68.54	423.02	9.43	-59.11
CC1=NOC(C)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001892	0	49	0.0	-80.27	384.50	7.38	-72.89
CC1=NC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CS1	REAL300012001893	1	46	0.0	-73.49	373.74	6.30	-67.19
COC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC2=C1OCO2	REAL300012001894	0	54	0.0	-85.61	422.82	6.54	-79.07
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(C3=CC=CC=C3)N=C2)C[C@H]1C(=O)[O-]	REAL300012001895	1	53	0.0	-83.56	420.34	8.23	-75.33
CN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012001896	0	47	0.0	-80.59	368.71	6.26	-74.33
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C	REAL300012001897	0	54	0.0	-80.14	415.48	8.50	-71.64
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CNN=C2C(C)(C)C)C[C@H]1C(=O)[O-]	REAL300012001898	0	56	0.0	-77.92	412.77	7.38	-70.54
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=CN2)C[C@H]1C(=O)[O-]	REAL300012001899	0	44	0.0	-81.54	345.33	5.18	-76.36
COC1=CC=CC(OC)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001900	0	55	0.0	-68.38	422.40	7.20	-61.18
CN1C=CN=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001901	0	47	0.0	-77.29	366.31	6.84	-70.45
CC(C)(C)C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001902	0	49	0.0	-72.92	361.75	7.54	-65.38
COC1=CC=C(F)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001903	0	51	0.0	-73.50	401.28	7.93	-65.57
CSC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012001904	0	48	0.0	-75.45	400.74	8.91	-66.54
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2OCO3)C[C@H]1C(=O)[O-]	REAL300012001905	0	50	0.0	-77.02	392.14	7.11	-69.91
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=CN=C2)C[C@H]1C(=O)[O-]	REAL300012001906	0	45	0.0	-81.54	356.85	6.60	-74.94
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(Cl)C=CS2)C[C@H]1C(=O)[O-]	REAL300012001907	0	44	0.0	-68.38	372.73	8.14	-60.24
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C[C@H]1C(=O)[O-]	REAL300012001908	0	53	0.0	-88.92	424.88	5.93	-82.99
COC1=CC=C(F)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001909	0	51	0.0	-71.94	401.76	8.02	-63.92
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NNC=C2)C[C@H]1C(=O)[O-]	REAL300012001910	0	44	0.0	-77.59	345.81	4.85	-72.74
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(N)=O)C=C2)C[C@H]1C(=O)[O-]	REAL300012001911	0	51	0.0	-86.81	398.73	5.19	-81.62
COC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1F	REAL300012001912	0	51	0.0	-86.79	401.87	7.82	-78.97
COC1=CC=C(Cl)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001913	0	51	0.0	-70.99	412.08	8.46	-62.53
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=CS2)C[C@H]1C(=O)[O-]	REAL300012001914	0	43	0.0	-75.88	351.98	5.83	-70.05
CN1C=NC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001915	0	47	0.0	-81.09	366.30	7.60	-73.49
COC(=O)C1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CN1C	REAL300012001916	0	54	0.0	-83.06	426.66	8.78	-74.28
CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1Cl	REAL300012001917	0	50	0.0	-80.82	401.61	9.56	-71.26
COC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1C	REAL300012001918	0	54	0.0	-79.94	415.71	8.50	-71.44
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC=N2)C[C@H]1C(=O)[O-]	REAL300012001919	1	43	0.0	-76.95	350.52	5.45	-71.50
CC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1F	REAL300012001920	0	50	0.0	-70.07	393.12	9.26	-60.81
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C#N)C=C2F)C[C@H]1C(=O)[O-]	REAL300012001921	0	48	0.0	-80.60	393.61	9.00	-71.60
CC1=NNC(C)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001922	0	50	0.0	-76.47	388.60	6.10	-70.37
CC1=NNC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001923	0	47	0.0	-77.83	367.72	5.66	-72.17
CN1N=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001924	0	47	0.0	-79.13	367.83	6.18	-72.95
C#CCCOC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001925	0	56	0.0	-79.35	442.82	9.95	-69.40
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN3C=CC=CC3=N2)C[C@H]1C(=O)[O-]	REAL300012001926	0	50	0.0	-77.30	394.18	9.10	-68.20
CC1=NN(C)C2=NC=C(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)C=C12	REAL300012001927	0	55	0.0	-86.23	433.49	8.32	-77.91
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC(C3CC3)=N2)C[C@H]1C(=O)[O-]	REAL300012001928	1	50	0.0	-73.84	403.67	7.81	-66.03
CCC1=NC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CS1	REAL300012001929	1	49	0.0	-76.59	393.95	6.92	-69.67
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C[C@H]1C(=O)[O-]	REAL300012001930	0	50	0.0	-77.70	410.90	9.60	-68.10
CC1=NN(C)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001931	0	50	0.0	-76.96	389.68	6.97	-69.99
CCN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012001932	0	50	0.0	-78.53	391.54	7.26	-71.27
CN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=N1	REAL300012001933	1	46	0.0	-82.70	364.74	5.06	-77.64
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C(N)=O)=C2)C[C@H]1C(=O)[O-]	REAL300012001934	0	51	0.0	-78.72	401.79	5.37	-73.35
CN1C=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012001935	0	47	0.0	-74.80	370.81	6.26	-68.54
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=CN2CC(F)(F)F)C[C@H]1C(=O)[O-]	REAL300012001936	0	50	0.0	-82.20	403.00	7.95	-74.25
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCCCCCC2)C[C@H]1C(=O)[O-]	REAL300012001937	0	59	0.0	-73.43	409.87	9.78	-63.65
CC1=CSC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012001938	0	46	0.0	-71.76	373.82	6.32	-65.44
COC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1F	REAL300012001939	0	51	0.0	-72.52	402.11	7.93	-64.59
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3CCCC3=C2)C[C@H]1C(=O)[O-]	REAL300012001940	0	54	0.0	-74.65	413.77	10.48	-64.17
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=COC=N2)C[C@H]1C(=O)[O-]	REAL300012001941	1	43	0.0	-77.95	339.74	3.01	-74.94
CC(C)COC1=CC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001942	0	60	0.0	-67.97	458.84	10.38	-57.59
CCN1N=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001943	0	50	0.0	-77.31	384.92	7.12	-70.19
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC3=C(CCCC3)S2)C[C@H]1C(=O)[O-]	REAL300012001944	0	53	0.0	-73.33	412.74	8.14	-65.19
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=NC=C3C=C2)C[C@H]1C(=O)[O-]	REAL300012001945	0	52	0.0	-85.12	406.81	8.94	-76.18
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)SC=N1	REAL300012001946	0	46	0.0	-79.02	369.76	6.21	-72.81
COC1=CC(F)=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001947	0	51	0.0	-78.78	403.14	7.96	-70.82
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C(C)(C)C)N=C2)C[C@H]1C(=O)[O-]	REAL300012001948	0	57	0.0	-81.04	438.86	8.55	-72.49
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=CS1	REAL300012001949	0	47	0.0	-76.73	373.38	8.17	-68.56
CS(=O)C1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001950	0	52	0.0	-89.15	418.35	7.05	-82.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3CCCCC3=C2)C[C@H]1C(=O)[O-]	REAL300012001951	0	57	0.0	-73.65	429.94	11.09	-62.56
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C#N)=N2)C[C@H]1C(=O)[O-]	REAL300012001952	0	47	0.0	-86.27	384.24	7.03	-79.24
COC(=O)C1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CN1	REAL300012001953	0	51	0.0	-80.02	408.89	7.03	-72.99
COCC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012001954	0	51	0.0	-80.14	402.23	6.47	-73.67
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1OC	REAL300012001955	0	58	0.0	-78.64	441.97	8.47	-70.17
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC(Cl)=C2Cl)C[C@H]1C(=O)[O-]	REAL300012001956	0	44	0.0	-76.20	387.09	8.45	-67.75
CC1=NC(F)=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001957	0	49	0.0	-82.53	383.53	7.33	-75.20
COC1=CC(C)=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001958	0	54	0.0	-68.38	416.73	8.64	-59.74
CC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CS1	REAL300012001959	0	47	0.0	-73.83	379.10	8.35	-65.48
CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=N1	REAL300012001960	0	48	0.0	-81.24	378.75	6.29	-74.95
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C(F)(F)F)S2)C[C@H]1C(=O)[O-]	REAL300012001961	0	46	0.0	-86.96	391.98	6.86	-80.10
CN1N=NC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001962	0	46	0.0	-89.39	360.86	4.83	-84.56
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(S(C)(=O)=O)=C2)C[C@H]1C(=O)[O-]	REAL300012001963	0	53	0.0	-84.23	427.93	6.11	-78.12
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(Cl)=CS2)C[C@H]1C(=O)[O-]	REAL300012001964	0	44	0.0	-75.40	374.34	8.22	-67.18
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C3CCCC3)C=C2)C[C@H]1C(=O)[O-]	REAL300012001965	0	60	0.0	-77.19	449.76	11.64	-65.55
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N(C)N=C1	REAL300012001966	0	50	0.0	-82.58	387.10	6.64	-75.94
CC1=CC(Cl)=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012001967	0	50	0.0	-80.94	404.04	9.62	-71.32
COCC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012001968	0	54	0.0	-79.78	421.20	8.19	-71.59
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=CN2C2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012001969	0	54	0.0	-72.57	421.84	10.06	-62.51
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C3CC3)C=C2)C[C@H]1C(=O)[O-]	REAL300012001970	0	54	0.0	-77.67	415.02	10.57	-67.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=C(Cl)S2)C[C@H]1C(=O)[O-]	REAL300012001971	1	43	0.0	-74.28	369.09	6.35	-67.93
C=CN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012001972	0	48	0.0	-80.64	381.80	7.60	-73.04
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2C2CCCC2)C[C@H]1C(=O)[O-]	REAL300012001973	0	57	0.0	-82.03	432.31	8.95	-73.08
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(F)F)C=C2)C[C@H]1C(=O)[O-]	REAL300012001974	0	50	0.0	-82.10	398.34	9.33	-72.77
COC1=CC(C)=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=N1	REAL300012001975	0	56	0.0	-77.92	427.88	6.33	-71.59
COC1=CC=CC(Cl)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001976	0	51	0.0	-65.39	410.47	8.34	-57.05
CCC1=CC(OC)=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001977	0	57	0.0	-77.94	429.04	9.04	-68.90
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=NN1C	REAL300012001978	0	50	0.0	-77.48	387.64	6.89	-70.59
CCCN1N=C(C)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1C	REAL300012001979	0	59	0.0	-79.08	451.09	8.86	-70.22
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3CC3)N=C2)C[C@H]1C(=O)[O-]	REAL300012001980	0	52	0.0	-85.46	408.20	8.12	-77.34
COCCN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012001981	0	54	0.0	-79.64	425.22	6.31	-73.33
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C3CCC3)C=C2)C[C@H]1C(=O)[O-]	REAL300012001982	0	57	0.0	-77.23	431.89	11.05	-66.18
CCOC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1F	REAL300012001983	0	54	0.0	-80.84	424.82	8.90	-71.94
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C#N)=CS2)C[C@H]1C(=O)[O-]	REAL300012001984	0	45	0.0	-86.16	377.17	7.97	-78.19
COC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1C#N	REAL300012001985	0	52	0.0	-92.92	415.85	8.16	-84.76
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=C(C(F)(F)F)S2)C[C@H]1C(=O)[O-]	REAL300012001986	1	46	0.0	-77.06	392.59	6.91	-70.15
CC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1C#N	REAL300012001987	0	51	0.0	-89.17	405.91	9.34	-79.83
CC1=CN=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012001988	0	46	0.0	-71.30	373.93	6.53	-64.77
CC(C)CN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012001989	0	56	0.0	-78.10	432.86	8.80	-69.30
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2C2CC2)C[C@H]1C(=O)[O-]	REAL300012001990	0	54	0.0	-71.94	410.21	10.60	-61.34
CCC1=CN=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012001991	0	49	0.0	-71.22	395.42	7.31	-63.91
CC1=NN(C(C)C)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012001992	0	56	0.0	-75.99	429.91	8.36	-67.63
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3CCCC3)S2)C[C@H]1C(=O)[O-]	REAL300012001993	0	56	0.0	-78.75	438.04	9.09	-69.66
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3CC3)S2)C[C@H]1C(=O)[O-]	REAL300012001994	0	50	0.0	-75.79	405.15	8.22	-67.57
CC(C)C1=NC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012001995	0	52	0.0	-75.23	416.21	7.91	-67.32
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3=CC=CO3)S2)C[C@H]1C(=O)[O-]	REAL300012001996	0	50	0.0	-79.90	415.03	7.70	-72.20
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(CC(F)F)N=C2)C[C@H]1C(=O)[O-]	REAL300012001997	0	50	0.0	-80.48	404.54	7.55	-72.93
CN(C)C(=O)C1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N1	REAL300012001998	0	55	0.0	-87.05	424.53	6.77	-80.28
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C(N)=O)=CS2)C[C@H]1C(=O)[O-]	REAL300012001999	0	48	0.0	-82.79	392.24	4.31	-78.48
CCC1=NN(C)C(CC)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002000	0	59	0.0	-77.99	442.84	8.75	-69.24
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3CCC3)S2)C[C@H]1C(=O)[O-]	REAL300012002001	0	53	0.0	-75.33	421.79	8.70	-66.63
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3CCCO3)S2)C[C@H]1C(=O)[O-]	REAL300012002002	0	54	0.0	-77.92	430.98	6.83	-71.09
CCOC1=C(Cl)C=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002003	0	54	0.0	-73.32	435.37	9.50	-63.82
CCC1=CC=CC(F)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002004	0	53	0.0	-67.99	408.52	9.84	-58.15
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(C(F)F)C=C2)C[C@H]1C(=O)[O-]	REAL300012002005	0	47	0.0	-77.69	383.47	6.50	-71.19
CC(C)C1=CN=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002006	0	52	0.0	-74.56	413.93	7.76	-66.80
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=C(C(C)(C)C)S2)C[C@H]1C(=O)[O-]	REAL300012002007	0	55	0.0	-70.89	433.57	8.38	-62.51
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(C3CC3)N=CS2)C[C@H]1C(=O)[O-]	REAL300012002008	0	50	0.0	-77.75	399.81	7.84	-69.91
COC(=O)C1=C(C)N(C)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002009	0	57	0.0	-82.34	444.45	9.06	-73.28
COCCCN1N=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002010	0	57	0.0	-80.60	445.89	6.89	-73.71
CC1=CC(F)=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(Cl)=C1	REAL300012002011	0	50	0.0	-66.93	408.00	9.71	-57.22
CSCC1=CN=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002012	1	50	0.0	-73.33	418.65	7.75	-65.58
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC=C2C(F)(F)F)C[C@H]1C(=O)[O-]	REAL300012002013	0	47	0.0	-71.48	386.02	8.43	-63.05
CCN1N=C(C)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002014	1	52	0.0	-77.32	403.48	6.00	-71.32
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C3CC3)=C2)C[C@H]1C(=O)[O-]	REAL300012002015	0	54	0.0	-77.65	415.13	10.55	-67.10
CC1=NN(C)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002016	0	50	0.0	-79.57	389.78	6.75	-72.82
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C#N)C(F)=C2)C[C@H]1C(=O)[O-]	REAL300012002017	0	48	0.0	-94.52	392.89	8.90	-85.62
CC1=CC(F)=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(F)=C1	REAL300012002018	0	50	0.0	-71.58	397.83	9.18	-62.40
CC(C)CN1N=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002019	0	56	0.0	-80.36	426.29	8.39	-71.97
COC(=O)C1=C(C)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CN1	REAL300012002020	0	54	0.0	-79.97	424.84	7.60	-72.37
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(C)(C)C#N)C=C2)C[C@H]1C(=O)[O-]	REAL300012002021	0	57	0.0	-81.34	440.80	10.36	-70.98
CC(C)C1=CC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002022	0	56	0.0	-74.97	419.62	10.24	-64.73
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN3CCCCC3=C2)C[C@H]1C(=O)[O-]	REAL300012002023	0	54	0.0	-73.62	411.81	7.92	-65.70
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=NN2C2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012002024	0	53	0.0	-81.56	417.52	8.23	-73.33
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CN=CC=C3O2)C[C@H]1C(=O)[O-]	REAL300012002025	0	49	0.0	-82.05	389.85	7.39	-74.66
COC1=CC(OC)=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1F	REAL300012002026	0	55	0.0	-78.98	429.88	7.20	-71.78
COC1=CC(F)=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1OC	REAL300012002027	0	55	0.0	-78.31	430.49	7.84	-70.47
CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(Cl)=C1	REAL300012002028	0	50	0.0	-68.16	401.35	9.71	-58.45
CCC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002029	0	53	0.0	-73.66	410.12	10.03	-63.63
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(F)=C1	REAL300012002030	0	51	0.0	-72.93	402.29	7.91	-65.02
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2CCC3)C[C@H]1C(=O)[O-]	REAL300012002031	0	54	0.0	-73.16	410.00	10.47	-62.69
COC1=CC=CC(F)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002032	0	51	0.0	-66.95	401.72	7.95	-59.00
CCCOC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1	REAL300012002033	0	60	0.0	-74.89	454.89	10.24	-64.65
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=NC=C3S2)C[C@H]1C(=O)[O-]	REAL300012002034	0	49	0.0	-84.47	398.03	8.20	-76.27
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C3CCCN3N=C2)C[C@H]1C(=O)[O-]	REAL300012002035	0	51	0.0	-78.43	393.70	7.20	-71.23
CCC1=C2OC(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC2=CC=C1	REAL300012002036	0	56	0.0	-81.41	436.68	10.41	-71.00
C=CCCN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=N1	REAL300012002037	1	53	0.0	-84.54	418.35	7.12	-77.42
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2CC2CC2)C[C@H]1C(=O)[O-]	REAL300012002038	0	54	0.0	-74.59	411.65	8.50	-66.09
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(OC3CC3)=C2F)C[C@H]1C(=O)[O-]	REAL300012002039	0	55	0.0	-73.12	433.14	9.60	-63.52
CCOC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1	REAL300012002040	0	57	0.0	-75.11	433.39	9.44	-65.67
COC1=NC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002041	0	50	0.0	-75.27	391.85	5.24	-70.03
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C3CCCC3)=C2)C[C@H]1C(=O)[O-]	REAL300012002042	0	60	0.0	-74.20	452.45	11.78	-62.42
COCC1=CSC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002043	0	51	0.0	-74.63	412.76	7.43	-67.20
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C3CCC3)N=N2)C[C@H]1C(=O)[O-]	REAL300012002044	1	53	0.0	-84.06	408.05	6.92	-77.14
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC(C(F)(F)F)=C2)C[C@H]1C(=O)[O-]	REAL300012002045	0	47	0.0	-79.61	397.86	8.74	-70.87
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)O2)C[C@H]1C(=O)[O-]	REAL300012002046	0	47	0.0	-81.88	389.86	7.91	-73.97
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(C(F)(F)F)SC=C2)C[C@H]1C(=O)[O-]	REAL300012002047	0	47	0.0	-76.90	387.55	8.58	-68.32
CN(C)C1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=CC(F)=C1F	REAL300012002048	0	55	0.0	-79.34	424.32	8.46	-70.88
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(F)C=CC(F)=C2Cl)C[C@H]1C(=O)[O-]	REAL300012002049	1	47	0.0	-70.84	392.44	9.08	-61.76
CN(C)C1=CC(F)=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1F	REAL300012002050	0	55	0.0	-77.39	432.65	8.18	-69.21
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C(F)=C2F)C[C@H]1C(=O)[O-]	REAL300012002051	0	47	0.0	-85.30	384.37	8.77	-76.53
CCCN1N=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002052	0	53	0.0	-79.05	412.25	7.82	-71.23
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002053	0	50	0.0	-84.85	409.21	7.15	-77.70
CCCC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002054	0	53	0.0	-76.23	420.99	9.92	-66.31
CC(C)C1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002055	0	56	0.0	-73.71	427.46	10.52	-63.19
CN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(Cl)=N1	REAL300012002056	0	47	0.0	-79.18	387.65	6.80	-72.38
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(CC3CCC3)=C2)C[C@H]1C(=O)[O-]	REAL300012002057	0	60	0.0	-74.02	458.28	12.11	-61.91
COC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1Cl	REAL300012002058	0	51	0.0	-84.78	411.67	8.31	-76.47
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2CC2CCC2)C[C@H]1C(=O)[O-]	REAL300012002059	0	57	0.0	-78.10	437.85	9.09	-69.01
CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(F)=C1	REAL300012002060	0	50	0.0	-70.17	394.21	9.30	-60.87
CC(=O)NC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002061	0	54	0.0	-84.47	423.04	7.51	-76.96
CN1N=CC2=CC(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CN=C21	REAL300012002062	0	52	0.0	-85.77	411.54	7.73	-78.04
CN1N=C2CCCCC2=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002063	0	57	0.0	-80.10	432.44	8.58	-71.52
CC1=C(C)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CS1	REAL300012002064	0	50	0.0	-76.47	391.32	8.74	-67.73
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(Cl)C(F)=C2)C[C@H]1C(=O)[O-]	REAL300012002065	0	46	0.0	-86.78	384.84	7.29	-79.49
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C[C@H]1C(=O)[O-]	REAL300012002066	0	53	0.0	-84.35	412.67	10.63	-73.72
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002067	0	57	0.0	-71.14	441.47	9.59	-61.55
CCOC1=CC(F)=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002068	0	54	0.0	-81.99	423.67	8.75	-73.24
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C[C@H]1C(=O)[O-]	REAL300012002069	0	60	0.0	-73.85	447.64	9.73	-64.12
CC1=C(Cl)C=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002070	0	50	0.0	-74.97	396.09	9.64	-65.33
COC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C(F)C=C1C	REAL300012002071	0	54	0.0	-75.19	421.34	8.68	-66.51
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC(C(C)(C)C)=CS2)C[C@H]1C(=O)[O-]	REAL300012002072	0	55	0.0	-74.89	431.37	8.18	-66.71
COCCC1=NC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002073	0	53	0.0	-81.38	428.00	6.24	-75.14
CN1N=C2CCSCC2=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002075	0	55	0.0	-82.94	431.67	8.26	-74.68
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2CCOC3)C[C@H]1C(=O)[O-]	REAL300012002076	0	55	0.0	-75.52	414.03	8.56	-66.96
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3OC(=O)OC3=C2)C[C@H]1C(=O)[O-]	REAL300012002077	0	49	0.0	-93.86	393.66	8.99	-84.87
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=NC=CC=C23)C[C@H]1C(=O)[O-]	REAL300012002078	0	52	0.0	-81.22	403.31	8.84	-72.38
CCCOC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C	REAL300012002079	0	60	0.0	-80.04	458.84	10.23	-69.81
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=NC=CN=C3C=C2)C[C@H]1C(=O)[O-]	REAL300012002080	0	51	0.0	-87.30	402.18	6.87	-80.43
CCOC1=CC=CC(F)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002081	0	54	0.0	-67.28	423.59	8.87	-58.41
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=CC=C1[N+](=O)[O-]	REAL300012002082	0	52	0.0	-85.66	408.55	9.82	-75.84
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002083	0	55	0.0	-86.52	422.59	10.13	-76.39
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(F)=C1OC	REAL300012002084	0	55	0.0	-76.19	435.28	7.93	-68.26
COC(=O)C1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(F)=C1	REAL300012002085	0	53	0.0	-79.62	427.58	9.28	-70.34
CC1=COC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002086	0	47	0.0	-74.60	369.88	7.40	-67.20
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)C=N2)C[C@H]1C(=O)[O-]	REAL300012002087	0	46	0.0	-80.82	377.52	7.13	-73.69
CC1=CC(C#N)=CC(C)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002088	0	54	0.0	-81.29	421.15	10.03	-71.26
CC1=CN=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012002089	1	46	0.0	-74.20	364.63	4.16	-70.04
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(CCF)N=C2)C[C@H]1C(=O)[O-]	REAL300012002090	0	50	0.0	-83.46	396.85	7.26	-76.20
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC(C(C)(C)C)=CO2)C[C@H]1C(=O)[O-]	REAL300012002091	1	55	0.0	-74.18	424.78	5.97	-68.21
CCCC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002092	0	56	0.0	-77.19	430.52	10.68	-66.51
CC1=C2C=C(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)C=NC2=NN1	REAL300012002093	0	52	0.0	-91.33	410.29	7.10	-84.23
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=CS2)C[C@H]1C(=O)[O-]	REAL300012002094	1	43	0.0	-71.67	351.99	5.73	-65.94
CN1N=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C2=CC=CC=C21	REAL300012002095	0	53	0.0	-77.49	417.88	8.47	-69.02
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C3C=CC=CC3=NN2)C[C@H]1C(=O)[O-]	REAL300012002096	0	50	0.0	-89.03	393.02	7.07	-81.96
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NNC3=CC=CC=C32)C[C@H]1C(=O)[O-]	REAL300012002096	1	50	0.0	-74.35	394.30	7.22	-67.13
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002097	0	47	0.0	-82.41	401.74	7.87	-74.54
CCC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002098	0	50	0.0	-76.24	399.49	9.14	-67.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=CC3=CC=CC=C32)C[C@H]1C(=O)[O-]	REAL300012002099	0	52	0.0	-72.72	405.98	8.87	-63.85
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N2C=CC=CC2=N1	REAL300012002100	0	53	0.0	-85.35	413.51	9.45	-75.90
CCC1=NC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002101	0	49	0.0	-75.58	395.43	7.31	-68.27
COC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)SC=C1	REAL300012002102	0	48	0.0	-67.41	387.36	7.00	-60.41
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C[C@H]1C(=O)[O-]	REAL300012002103	0	53	0.0	-83.06	423.39	6.83	-76.23
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC=C2Cl)C[C@H]1C(=O)[O-]	REAL300012002104	0	44	0.0	-72.83	370.77	7.87	-64.96
CC1=NN2C(=NC(C)=C2C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002105	0	52	0.0	-76.39	422.62	7.75	-68.64
CCCC(C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1)C1=CC=CC=C1	REAL300012002106	0	59	0.0	-75.57	444.29	11.31	-64.26
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CC3CCC2C3)C[C@H]1C(=O)[O-]	REAL300012002107	0	54	0.0	-72.96	391.84	9.23	-63.73
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)N=C2)C[C@H]1C(=O)[O-]	REAL300012002108	0	46	0.0	-84.58	369.51	6.73	-77.85
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)S2)C[C@H]1C(=O)[O-]	REAL300012002109	0	47	0.0	-80.57	398.09	8.90	-71.67
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2(C)CCC2)C[C@H]1C(=O)[O-]	REAL300012002110	0	50	0.0	-73.74	369.88	8.13	-65.61
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2(C(F)F)CC2)C[C@H]1C(=O)[O-]	REAL300012002111	0	47	0.0	-79.68	365.58	8.00	-71.68
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)NN=C1	REAL300012002112	0	47	0.0	-78.74	366.23	5.64	-73.10
CC1=CNN=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002112	1	47	0.0	-70.93	366.99	5.61	-65.32
CC1=CN=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N1C	REAL300012002113	0	50	0.0	-78.17	387.72	7.39	-70.78
CC(C)C1CCC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)CC1	REAL300012002114	0	62	0.0	-75.61	435.98	10.27	-65.34
CCC1=NOC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002115	0	49	0.0	-80.11	384.50	7.35	-72.76
CN1N=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1Cl	REAL300012002116	0	47	0.0	-72.97	385.86	6.74	-66.23
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CN=C3O2)C[C@H]1C(=O)[O-]	REAL300012002117	0	49	0.0	-85.31	386.98	5.89	-79.42
CC1=CN=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002118	0	49	0.0	-81.40	376.30	7.30	-74.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C[C@H]1C(=O)[O-]	REAL300012002119	0	49	0.0	-87.55	405.22	6.44	-81.11
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012002120	0	54	0.0	-75.86	417.31	10.66	-65.20
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2C2=CC=CC=N2)C[C@H]1C(=O)[O-]	REAL300012002121	0	53	0.0	-75.85	418.30	9.14	-66.71
CC(C)N1C=CN=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002123	0	53	0.0	-76.61	408.08	8.41	-68.20
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002124	0	50	0.0	-83.44	402.92	7.03	-76.41
CN1N=CC(C2CC2)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002125	0	54	0.0	-79.13	417.97	8.24	-70.89
CN1N=CC(C2CCC2)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002126	0	57	0.0	-79.78	434.48	8.70	-71.08
CC1=NC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N1C	REAL300012002127	0	50	0.0	-78.16	388.76	7.53	-70.63
CC1=C2C=C(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)NC2=CC=C1	REAL300012002128	0	54	0.0	-82.45	418.96	9.05	-73.40
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2C2=CC=NC=C2)C[C@H]1C(=O)[O-]	REAL300012002129	0	53	0.0	-81.84	418.47	7.72	-74.12
CC1=CC=C2C=C(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)NC2=C1	REAL300012002130	0	54	0.0	-78.49	420.49	9.20	-69.29
CC1=NC=CN=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002131	0	48	0.0	-77.08	371.05	5.28	-71.80
CCOC1=CN=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002132	0	53	0.0	-82.50	412.43	6.86	-75.64
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NC=C2Cl)C[C@H]1C(=O)[O-]	REAL300012002133	0	46	0.0	-77.07	374.20	7.14	-69.93
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2C2CCOCC2)C[C@H]1C(=O)[O-]	REAL300012002134	0	58	0.0	-80.90	442.86	7.21	-73.69
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=NNC=C32)C[C@H]1C(=O)[O-]	REAL300012002135	0	50	0.0	-88.39	392.26	7.16	-81.23
CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002136	0	55	0.0	-72.67	403.71	8.77	-63.90
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NC(F)=C2)C[C@H]1C(=O)[O-]	REAL300012002137	0	46	0.0	-85.41	368.54	6.77	-78.64
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3C=CNC3=C2)C[C@H]1C(=O)[O-]	REAL300012002138	0	51	0.0	-76.59	398.56	8.61	-67.98
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=C(C=CNC3=O)O2)C[C@H]1C(=O)[O-]	REAL300012002139	0	50	0.0	-87.81	398.52	5.94	-81.87
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(F)F)N=C2)C[C@H]1C(=O)[O-]	REAL300012002140	0	49	0.0	-83.38	396.26	7.69	-75.69
CN(C)C1=CC=C(C#N)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002141	0	56	0.0	-76.44	438.94	9.04	-67.40
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(CC3CCOC3)N=N2)C[C@H]1C(=O)[O-]	REAL300012002142	1	57	0.0	-85.27	441.46	6.02	-79.25
COC1=CN=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1C	REAL300012002143	0	53	0.0	-77.85	405.73	6.75	-71.10
CC1=CC(C)=C(C=CC[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1	REAL300012002144	0	60	0.0	-80.24	455.93	11.58	-68.66
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(CC3CCCO3)N=N2)C[C@H]1C(=O)[O-]	REAL300012002145	1	57	0.0	-85.10	440.90	6.04	-79.06
CCCN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=N1	REAL300012002146	1	52	0.0	-83.09	404.05	6.52	-76.57
CN(C)C1=CC=C(F)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002147	0	55	0.0	-74.21	423.75	8.55	-65.66
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C3CC3)C=N2)C[C@H]1C(=O)[O-]	REAL300012002148	0	51	0.0	-76.72	397.51	9.10	-67.62
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C[C@H]1C(=O)[O-]	REAL300012002149	0	52	0.0	-92.11	413.32	8.89	-83.22
CC1=CC(C)=C(C=CC[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C	REAL300012002150	0	60	0.0	-79.30	452.72	11.48	-67.82
CC1=NSC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002151	0	46	0.0	-79.94	373.79	7.01	-72.93
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C[C@H]1C(=O)[O-]	REAL300012002152	0	52	0.0	-91.20	420.36	3.41	-87.79
CCN1N=CN=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002153	1	49	0.0	-85.68	383.77	7.58	-78.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3CC3)O2)C[C@H]1C(=O)[O-]	REAL300012002154	0	50	0.0	-78.57	396.66	5.85	-72.72
CCC1=CNC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002155	0	50	0.0	-81.44	388.58	6.53	-74.91
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=CC3=C2CCCC3)C[C@H]1C(=O)[O-]	REAL300012002156	0	56	0.0	-72.90	417.48	8.98	-63.92
CC1=NN(C)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1Cl	REAL300012002157	0	50	0.0	-82.26	405.19	7.11	-75.15
CN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C2CCCC2)=N1	REAL300012002158	0	60	0.0	-81.24	454.70	9.41	-71.83
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3OCCCC3=C2)C[C@H]1C(=O)[O-]	REAL300012002159	0	55	0.0	-80.61	419.51	9.10	-71.51
CN(C)C(=O)C1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002160	0	57	0.0	-79.41	438.85	8.42	-70.99
CCC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(Cl)=NN1	REAL300012002161	0	50	0.0	-77.07	406.35	6.69	-70.38
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(C3CC3)NN=C2Cl)C[C@H]1C(=O)[O-]	REAL300012002162	0	51	0.0	-74.37	410.69	7.36	-67.01
CCC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=NO1	REAL300012002163	0	52	0.0	-83.43	404.68	8.03	-75.40
CCN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=N1	REAL300012002164	1	49	0.0	-83.37	382.55	5.75	-77.62
CC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C2CCCCC2=N1	REAL300012002165	0	59	0.0	-82.90	438.40	9.64	-73.26
CCOC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012002166	0	51	0.0	-80.50	401.42	7.98	-72.52
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC(C(F)(F)F)=N2)C[C@H]1C(=O)[O-]	REAL300012002167	1	46	0.0	-81.18	392.85	6.70	-74.48
CCN1C=NC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002168	0	50	0.0	-76.66	389.78	8.62	-68.04
CC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CN=C1F	REAL300012002169	0	49	0.0	-85.32	388.87	7.38	-77.94
CC1=CC(F)=NC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002170	0	49	0.0	-82.83	383.74	7.37	-75.46
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(F)F)C(F)=C2)C[C@H]1C(=O)[O-]	REAL300012002171	0	50	0.0	-83.76	406.66	9.57	-74.19
COC(=O)C1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C	REAL300012002172	0	56	0.0	-87.11	436.63	9.65	-77.46
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1	REAL300012002173	0	54	0.0	-75.13	411.54	8.51	-66.62
CC1CC2=CC(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC=C2O1	REAL300012002174	0	55	0.0	-78.72	424.21	9.21	-69.51
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2OC(=O)N3)C[C@H]1C(=O)[O-]	REAL300012002175	0	50	0.0	-82.46	397.88	5.95	-76.51
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2OCC3)C[C@H]1C(=O)[O-]	REAL300012002176	0	52	0.0	-69.31	402.98	8.42	-60.89
CSCC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002177	0	54	0.0	-79.50	432.26	10.35	-69.15
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(CC3CCC3)N=C2)C[C@H]1C(=O)[O-]	REAL300012002178	0	57	0.0	-78.58	439.46	9.34	-69.24
CN1N=C2CCOCC2=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002179	0	55	0.0	-82.37	422.54	6.20	-76.17
CN1N=C2CCCC2=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002180	0	54	0.0	-80.39	414.99	8.04	-72.35
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2C2CCC2)C[C@H]1C(=O)[O-]	REAL300012002181	0	54	0.0	-78.14	415.90	8.40	-69.74
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C3CCC3)N=C2)C[C@H]1C(=O)[O-]	REAL300012002182	0	54	0.0	-78.16	415.39	8.37	-69.79
COC1=CC=C(C)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002183	0	54	0.0	-78.06	411.08	8.31	-69.75
CN1C=NC2=CC=CC(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=C21	REAL300012002184	0	53	0.0	-84.09	404.59	9.69	-74.40
CCC1=CC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002185	0	53	0.0	-73.35	397.64	9.69	-63.66
CN(C)C(=O)C1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002186	0	57	0.0	-88.01	435.79	8.26	-79.75
CC1=CC(F)=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002187	0	50	0.0	-82.06	393.72	9.19	-72.87
CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1C	REAL300012002188	0	56	0.0	-73.15	418.34	10.25	-62.90
CCNC(=O)C1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002189	0	57	0.0	-86.64	442.15	7.53	-79.11
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2C(C)(C)C)C[C@H]1C(=O)[O-]	REAL300012002190	0	59	0.0	-68.80	419.26	10.89	-57.91
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C3CCCCCN23)C[C@H]1C(=O)[O-]	REAL300012002191	0	57	0.0	-76.52	423.30	9.00	-67.52
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CON=C2C2CC2)C[C@H]1C(=O)[O-]	REAL300012002192	0	50	0.0	-80.53	395.36	8.21	-72.32
CCN1CCC2=CC(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC=C21	REAL300012002193	0	59	0.0	-75.53	445.27	9.07	-66.46
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=NN1C(C)C	REAL300012002194	0	56	0.0	-76.91	429.19	8.43	-68.48
CC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1C1CC1	REAL300012002195	0	57	0.0	-74.03	433.66	11.23	-62.80
CCOC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=N1	REAL300012002196	0	53	0.0	-83.07	415.08	6.10	-76.97
CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C1CC1	REAL300012002197	0	57	0.0	-73.95	434.27	11.22	-62.73
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012002198	0	48	0.0	-80.63	379.57	7.04	-73.59
COCCOC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012002199	0	55	0.0	-82.30	435.05	7.21	-75.09
CC1=NN(C(C)C)C(C)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002200	0	59	0.0	-75.03	450.64	8.91	-66.12
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(CCF)C=C2)C[C@H]1C(=O)[O-]	REAL300012002201	0	50	0.0	-75.83	398.23	7.31	-68.52
CCN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=N1	REAL300012002202	0	53	0.0	-80.43	410.13	7.72	-72.71
CN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C2CC2)=N1	REAL300012002203	0	54	0.0	-78.00	423.12	8.56	-69.44
CN1N=C(C2CC2)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002204	0	54	0.0	-80.21	419.55	8.25	-71.96
CC(C)C1=NOC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002205	0	52	0.0	-84.02	404.36	7.74	-76.28
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3CCOCC3)O2)C[C@H]1C(=O)[O-]	REAL300012002206	0	57	0.0	-82.90	438.09	4.92	-77.98
COC1=NC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1F	REAL300012002207	0	50	0.0	-81.12	398.80	5.21	-75.91
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN3C=CN=C3S2)C[C@H]1C(=O)[O-]	REAL300012002208	0	47	0.0	-91.17	383.29	8.41	-82.76
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C(C(C)(C)C)O1	REAL300012002209	0	59	0.0	-77.17	448.87	10.01	-67.16
CC1=C(C)SC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002210	0	49	0.0	-71.29	392.68	7.03	-64.26
CC1OC2=CC=C(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)C=C2C1C	REAL300012002211	0	58	0.0	-81.02	443.45	9.67	-71.35
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSN=C2)C[C@H]1C(=O)[O-]	REAL300012002212	0	43	0.0	-82.06	348.82	6.05	-76.01
CC(C)CC1=CC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002213	0	59	0.0	-72.43	440.67	11.11	-61.32
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)NN=C1C(F)(F)F	REAL300012002214	0	50	0.0	-85.95	408.02	6.49	-79.46
CC(C)CN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=N1	REAL300012002215	1	55	0.0	-82.82	423.84	7.27	-75.55
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC(C3CC3)=CS2)C[C@H]1C(=O)[O-]	REAL300012002216	0	50	0.0	-72.00	403.07	7.82	-64.18
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C(F)(F)F)=NN2)C[C@H]1C(=O)[O-]	REAL300012002217	0	47	0.0	-89.43	387.20	5.79	-83.64
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3CCOC3=C2)C[C@H]1C(=O)[O-]	REAL300012002218	0	52	0.0	-77.67	403.06	8.43	-69.24
CSC1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002220	0	51	0.0	-74.62	407.45	9.61	-65.01
CC(C)C1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N(C)N=C1	REAL300012002221	0	56	0.0	-78.97	429.39	8.08	-70.89
CC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC(C)=N1	REAL300012002222	0	52	0.0	-81.39	402.31	7.86	-73.53
CCCN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=N1	REAL300012002223	0	56	0.0	-76.44	432.72	8.60	-67.84
CCN1C=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002224	0	50	0.0	-73.89	391.63	7.17	-66.72
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=NC=CC=C3O2)C[C@H]1C(=O)[O-]	REAL300012002225	0	49	0.0	-84.71	388.43	7.19	-77.52
CC1=C(C)OC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002226	1	49	0.0	-77.84	384.70	4.62	-73.22
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(CC3CC3)S2)C[C@H]1C(=O)[O-]	REAL300012002227	0	54	0.0	-76.50	431.10	10.70	-65.80
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(OC3CC3)C=C2)C[C@H]1C(=O)[O-]	REAL300012002228	0	55	0.0	-81.34	426.82	9.43	-71.91
CNC(=O)C1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002229	0	54	0.0	-78.92	423.71	6.87	-72.05
CCNC(=O)C1=CC=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002231	0	57	0.0	-78.45	445.20	7.71	-70.74
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)OC2=CC=C(F)C=C12	REAL300012002232	0	53	0.0	-79.58	421.92	9.80	-69.78
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C3CCC3)=NN2)C[C@H]1C(=O)[O-]	REAL300012002233	0	54	0.0	-84.00	413.24	7.36	-76.64
CCCN1C=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002234	0	53	0.0	-76.87	411.72	7.79	-69.08
CC(C)N1C=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002235	0	53	0.0	-73.42	410.31	7.68	-65.74
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=CC(C(C)(C)C)=C2)C[C@H]1C(=O)[O-]	REAL300012002236	0	58	0.0	-76.99	438.63	9.10	-67.89
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(CC(F)(F)F)C=C2)C[C@H]1C(=O)[O-]	REAL300012002237	0	50	0.0	-78.52	409.50	7.67	-70.85
CN1C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=NC2=C1CCCC2	REAL300012002238	0	57	0.0	-73.40	429.95	9.27	-64.13
COC1=NC(Cl)=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002239	0	50	0.0	-79.46	408.78	5.65	-73.81
CN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C(F)(F)F)=N1	REAL300012002240	0	50	0.0	-75.58	406.67	7.42	-68.16
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C(F)F)=C2F)C[C@H]1C(=O)[O-]	REAL300012002241	0	50	0.0	-74.26	405.82	9.53	-64.73
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2COCC3)C[C@H]1C(=O)[O-]	REAL300012002242	0	55	0.0	-75.15	413.96	8.59	-66.56
CCOC1=CC=C(Cl)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002243	0	54	0.0	-70.41	433.92	9.39	-61.02
COC1=NN(C)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002244	0	51	0.0	-73.72	402.95	4.34	-69.38
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC3=C(COCC3)S2)C[C@H]1C(=O)[O-]	REAL300012002245	1	51	0.0	-73.67	406.62	5.92	-67.75
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=C(CCCC3)O2)C[C@H]1C(=O)[O-]	REAL300012002246	0	54	0.0	-74.36	411.52	9.42	-64.94
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C[C@H]1C(=O)[O-]	REAL300012002247	0	49	0.0	-89.17	401.85	9.33	-79.84
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C3CCCCC3)N=C2)C[C@H]1C(=O)[O-]	REAL300012002248	0	60	0.0	-75.78	451.89	9.64	-66.14
CC1=COC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002249	1	46	0.0	-74.69	364.62	3.95	-70.74
CN(CCO)C1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012002250	0	58	0.0	-78.98	447.82	6.14	-72.84
COC1=CC(C)=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012002251	0	53	0.0	-79.16	409.50	5.90	-73.26
COC1=CC(C)=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1O	REAL300012002252	0	55	0.0	-78.92	423.23	6.32	-72.60
COC1=NC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1C	REAL300012002253	0	53	0.0	-76.80	414.51	5.98	-70.82
CCCN1C=NC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002254	0	53	0.0	-74.68	405.48	9.48	-65.20
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CNC2=O)C[C@H]1C(=O)[O-]	REAL300012002255	0	47	0.0	-78.01	370.85	5.51	-72.50
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC=CC2=CC=C3OCOC3=C2)C[C@H]1C(=O)[O-]	REAL300012002256	0	54	0.0	-82.08	424.33	8.54	-73.54
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(CC3CCC3)C=C2)C[C@H]1C(=O)[O-]	REAL300012002257	0	60	0.0	-76.96	457.02	11.98	-64.98
CCC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=NN1CC	REAL300012002258	0	56	0.0	-76.46	423.58	8.31	-68.15
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(F)C=CC(Cl)=C2F)C[C@H]1C(=O)[O-]	REAL300012002259	1	47	0.0	-71.91	394.03	9.13	-62.78
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C3CC3)=NN2)C[C@H]1C(=O)[O-]	REAL300012002260	0	51	0.0	-82.60	395.80	6.86	-75.74
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2C2CC2(F)F)C[C@H]1C(=O)[O-]	REAL300012002261	0	51	0.0	-88.28	409.84	7.99	-80.29
COC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=CS1	REAL300012002262	0	48	0.0	-72.30	387.68	6.87	-65.43
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C(F)(F)F)=CO1	REAL300012002263	0	50	0.0	-77.39	405.48	8.26	-69.13
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C(C)(F)F)=C2)C[C@H]1C(=O)[O-]	REAL300012002264	0	53	0.0	-77.41	420.45	10.12	-67.29
CN1C=C(C2=NNC=C2C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012002265	0	54	0.0	-76.18	427.81	6.29	-69.89
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C(C)(C)C#N)S2)C[C@H]1C(=O)[O-]	REAL300012002266	0	53	0.0	-82.45	433.33	8.00	-74.45
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=CC(F)=C2F)C[C@H]1C(=O)[O-]	REAL300012002267	0	47	0.0	-76.77	385.50	8.75	-68.02
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C(C)(C)C)=NN2)C[C@H]1C(=O)[O-]	REAL300012002268	0	56	0.0	-83.52	428.13	7.29	-76.23
C=CCC1=CC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002269	0	54	0.0	-72.25	414.34	10.46	-61.79
COCC1=CN=C(OC)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002270	0	57	0.0	-75.23	447.13	5.13	-70.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC=CC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012002271	0	51	0.0	-79.07	397.17	9.75	-69.32
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=NN2C2CC2)C[C@H]1C(=O)[O-]	REAL300012002272	0	50	0.0	-83.76	393.72	6.62	-77.14
COCC1=CC=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002273	0	54	0.0	-77.01	410.60	8.24	-68.77
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3CCOCC3=C2)C[C@H]1C(=O)[O-]	REAL300012002274	0	55	0.0	-76.83	420.95	8.69	-68.14
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(CCO)N=C2)C[C@H]1C(=O)[O-]	REAL300012002275	0	51	0.0	-83.46	401.67	3.77	-79.69
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C[C@H]1C(=O)[O-]	REAL300012002276	0	53	0.0	-89.48	420.75	6.62	-82.86
COC1=CC=C(F)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1OC	REAL300012002277	0	55	0.0	-73.26	430.26	7.74	-65.52
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC=CC2=CC=NC=C2)C[C@H]1C(=O)[O-]	REAL300012002278	0	50	0.0	-83.95	391.97	7.98	-75.97
CN1C=CC(C2=NNC=C2C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002279	0	54	0.0	-74.22	426.45	6.52	-67.70
C=CC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002280	0	51	0.0	-76.64	395.31	9.49	-67.15
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2C(C)(F)F)C[C@H]1C(=O)[O-]	REAL300012002281	0	53	0.0	-71.49	404.72	9.92	-61.57
CCN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C2CC2)=N1	REAL300012002282	0	57	0.0	-77.69	444.59	9.43	-68.26
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CON=C2C(C)(C)C)C[C@H]1C(=O)[O-]	REAL300012002283	0	55	0.0	-85.30	413.62	8.22	-77.08
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CN=CC=C3C=C2)C[C@H]1C(=O)[O-]	REAL300012002284	0	52	0.0	-82.09	408.24	9.07	-73.02
CC1=CC2=CC=CC(C[NH2+][C@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=C2O1	REAL300012002285	0	53	0.0	-75.27	415.36	9.61	-65.66
COC1=CSC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1OC	REAL300012002286	0	52	0.0	-72.28	419.98	6.62	-65.66
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CON=C2C2CCC2)C[C@H]1C(=O)[O-]	REAL300012002287	0	53	0.0	-80.77	411.86	8.67	-72.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(S(C)(=O)=O)=CO2)C[C@H]1C(=O)[O-]	REAL300012002288	0	50	0.0	-85.27	411.02	4.18	-81.09
CC(C)OC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1F	REAL300012002289	0	57	0.0	-80.63	442.76	9.53	-71.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C(Cl)=C2F)C[C@H]1C(=O)[O-]	REAL300012002291	0	47	0.0	-83.66	394.73	9.18	-74.48
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C(F)F)=C2)C[C@H]1C(=O)[O-]	REAL300012002292	0	50	0.0	-75.03	401.41	9.53	-65.50
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C[C@H]1C(=O)[O-]	REAL300012002293	0	53	0.0	-72.23	417.67	10.84	-61.39
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC(Cl)=C2)C[C@H]1C(=O)[O-]	REAL300012002294	0	44	0.0	-81.16	372.82	8.03	-73.13
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=NN1C1CCC1	REAL300012002295	0	57	0.0	-78.48	431.85	8.89	-69.59
CC1=NN(C2CCCC2)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002296	0	60	0.0	-82.28	454.21	9.53	-72.75
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2CC(F)F)C[C@H]1C(=O)[O-]	REAL300012002297	0	50	0.0	-86.11	403.75	7.31	-78.80
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(F)C=CN=C2Cl)C[C@H]1C(=O)[O-]	REAL300012002298	1	46	0.0	-71.42	381.72	7.20	-64.22
CN(C)C1=CN=CC(F)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002299	0	54	0.0	-69.21	421.05	6.69	-62.52
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(C3CCC3)C=C2)C[C@H]1C(=O)[O-]	REAL300012002300	0	54	0.0	-76.69	414.36	8.13	-68.56
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(CC(F)F)C=C2)C[C@H]1C(=O)[O-]	REAL300012002301	0	50	0.0	-77.96	403.48	7.48	-70.48
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(C3CC3(F)F)C=C2)C[C@H]1C(=O)[O-]	REAL300012002302	0	51	0.0	-77.73	407.24	7.72	-70.01
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C3CCOCC3)N=C2)C[C@H]1C(=O)[O-]	REAL300012002303	0	58	0.0	-76.90	442.62	7.24	-69.66
CC1=CN(C)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002304	0	50	0.0	-74.74	389.85	7.53	-67.21
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(C3CCCC3)C=C2)C[C@H]1C(=O)[O-]	REAL300012002305	0	57	0.0	-76.29	431.51	8.81	-67.48
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=C(Cl)C=C2Cl)C[C@H]1C(=O)[O-]	REAL300012002306	1	46	0.0	-71.62	390.17	7.50	-64.12
CC1=NSC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002307	0	46	0.0	-79.17	368.08	6.81	-72.36
CC1=NN(C2CCCC2)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002308	0	60	0.0	-75.72	452.48	9.62	-66.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2C(F)F)C[C@H]1C(=O)[O-]	REAL300012002309	0	50	0.0	-74.36	390.11	9.53	-64.83
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CNN=C3C=C2)C[C@H]1C(=O)[O-]	REAL300012002310	0	50	0.0	-84.33	393.46	7.30	-77.03
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)C(F)=C2F)C[C@H]1C(=O)[O-]	REAL300012002311	0	47	0.0	-83.77	394.26	9.21	-74.56
CC1=C(F)C=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002312	0	50	0.0	-76.01	387.35	9.23	-66.78
COC1=C(C#N)C=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002313	0	52	0.0	-79.77	416.92	8.41	-71.36
CC1=NC(Cl)=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002314	0	49	0.0	-81.12	393.99	7.81	-73.31
COC1=CC(Cl)=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002315	0	51	0.0	-77.76	413.46	8.40	-69.36
COC1=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC(F)=C1F	REAL300012002316	0	51	0.0	-88.66	409.24	8.02	-80.64
COC1=CC(C)=NC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002317	0	53	0.0	-75.63	411.38	6.65	-68.98
CC(C)N1C=NC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002318	0	53	0.0	-76.36	409.40	9.01	-67.35
CN1N=CC=C1C1=NNC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002319	0	54	0.0	-77.31	429.22	6.22	-71.09
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C2CC2)=NO1	REAL300012002320	0	53	0.0	-79.96	416.47	8.99	-70.97
COC(=O)C1=C(C)NC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1C	REAL300012002321	0	57	0.0	-82.83	449.94	8.34	-74.49
CC(C)OC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012002322	0	54	0.0	-80.26	421.72	8.69	-71.57
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(Cl)C=CC3=C2OCO3)C[C@H]1C(=O)[O-]	REAL300012002323	0	50	0.0	-71.85	406.22	7.52	-64.33
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=CC(C#N)=C2)C[C@H]1C(=O)[O-]	REAL300012002324	0	48	0.0	-86.81	394.51	9.04	-77.77
COC1=CC=CC=C1C=CC[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002325	0	55	0.0	-78.24	425.22	9.11	-69.13
CC1=NN(C2CCC2)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002326	0	57	0.0	-78.35	431.95	8.78	-69.57
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=NN1CC(F)F	REAL300012002327	0	53	0.0	-82.55	422.59	8.03	-74.52
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C[C@H]1C(=O)[O-]	REAL300012002328	0	55	0.0	-82.72	436.43	8.94	-73.78
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002329	0	54	0.0	-85.51	427.50	7.67	-77.84
COC1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=N1	REAL300012002330	0	53	0.0	-79.07	409.30	5.86	-73.21
CCN(C)C1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1	REAL300012002331	0	61	0.0	-71.71	455.34	10.56	-61.15
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(Cl)C(Cl)=CS2)C[C@H]1C(=O)[O-]	REAL300012002332	0	44	0.0	-71.51	388.69	8.61	-62.90
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=NS1	REAL300012002333	0	46	0.0	-79.46	370.01	7.01	-72.45
COC1=CC(C)=CC(OC)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002334	0	58	0.0	-68.19	443.51	7.84	-60.35
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=NO1	REAL300012002335	0	46	0.0	-83.82	361.34	6.71	-77.11
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(CF)C=C2)C[C@H]1C(=O)[O-]	REAL300012002336	0	50	0.0	-80.15	394.12	9.28	-70.87
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3SC=CC3=C2)C[C@H]1C(=O)[O-]	REAL300012002337	0	50	0.0	-82.42	402.83	9.82	-72.60
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C[C@H]1C(=O)[O-]	REAL300012002338	0	56	0.0	-82.18	433.60	10.07	-72.11
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2CO)C[C@H]1C(=O)[O-]	REAL300012002339	0	51	0.0	-78.71	388.35	5.84	-72.87
CC1=NSC(C)=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002340	0	49	0.0	-78.38	388.67	7.44	-70.94
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(C(C)(C)C)ON=C2)C[C@H]1C(=O)[O-]	REAL300012002341	0	55	0.0	-78.85	409.17	8.51	-70.34
C=CCN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012002342	0	51	0.0	-78.78	404.34	7.82	-70.96
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=NNC=C3C=C2)C[C@H]1C(=O)[O-]	REAL300012002343	0	50	0.0	-80.65	393.45	7.30	-73.35
CCC(C)C1=CC=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002344	0	59	0.0	-75.34	442.86	11.00	-64.34
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C(C)(F)F)=N2)C[C@H]1C(=O)[O-]	REAL300012002345	0	52	0.0	-80.62	417.37	8.51	-72.11
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2CCCC3)C[C@H]1C(=O)[O-]	REAL300012002346	0	57	0.0	-73.43	422.60	10.96	-62.47
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002347	0	54	0.0	-81.87	424.06	10.29	-71.58
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C[C@H]1C(=O)[O-]	REAL300012002348	0	53	0.0	-91.35	418.51	8.37	-82.98
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=CC2=CC=CC=C21	REAL300012002349	0	56	0.0	-78.87	423.11	11.21	-67.66
COC1=C2C=CNC2=CC=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002350	0	55	0.0	-75.09	427.28	7.95	-67.14
CC1=NC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C(C)S1	REAL300012002351	0	49	0.0	-73.03	393.11	7.02	-66.01
CCCN1N=CC(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1C	REAL300012002352	0	56	0.0	-77.15	430.96	8.51	-68.64
CC1=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C2=NC=CC=C2C=C1	REAL300012002353	0	55	0.0	-70.17	421.09	9.54	-60.63
COC(=O)C1=CN(C)C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002354	0	54	0.0	-82.38	430.13	8.70	-73.68
CCCN1N=C(C)C=C1C[NH2+][C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002355	0	56	0.0	-77.33	428.36	8.46	-68.87
CN1C=C(C[NH2+][C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C2CCC2)=N1	REAL300012002356	0	57	0.0	-77.37	438.33	9.02	-68.35
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C(C)(C)C)O2)C[C@H]1C(=O)[O-]	REAL300012002357	0	55	0.0	-77.88	427.14	6.04	-71.84
CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1	REAL300012002358	0	53	0.0	-69.89	405.60	9.73	-60.16
CC1=CC=C(C)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002359	0	53	0.0	-73.17	403.66	9.82	-63.35
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CN=C3C=C2)C[C@@H]1C(=O)[O-]	REAL300012002360	0	52	0.0	-79.95	410.47	8.81	-71.14
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CC3C=CC2C3)C[C@@H]1C(=O)[O-]	REAL300012002361	0	52	0.0	-72.06	385.24	9.11	-62.95
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C[C@@H]1C(=O)[O-]	REAL300012002362	0	53	0.0	-72.74	386.87	8.94	-63.80
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(C)(C)C)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002363	0	59	0.0	-73.55	441.84	10.92	-62.63
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CNN=C2C2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300012002364	0	54	0.0	-80.67	420.89	8.64	-72.03
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Br)O2)C[C@@H]1C(=O)[O-]	REAL300012002365	0	44	0.0	-73.22	371.80	7.31	-65.91
CCOC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1OC	REAL300012002366	0	58	0.0	-77.12	448.15	8.68	-68.44
CC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1C	REAL300012002367	0	53	0.0	-72.39	397.71	9.78	-62.61
CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C	REAL300012002368	0	53	0.0	-73.52	404.06	9.79	-63.73
CC(C)OC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002369	0	57	0.0	-67.36	433.79	9.55	-57.81
CCC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C2=CC=CC=C2O1	REAL300012002370	0	56	0.0	-77.01	435.62	10.52	-66.49
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(Cl)=C1	REAL300012002371	0	51	0.0	-74.30	407.15	8.40	-65.90
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C#N)=C2)C[C@@H]1C(=O)[O-]	REAL300012002372	0	48	0.0	-82.30	390.21	8.83	-73.47
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CNN=C2C2=CC=CS2)C[C@@H]1C(=O)[O-]	REAL300012002373	0	51	0.0	-72.12	413.04	7.57	-64.55
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC3=CC=CC=C23)C[C@@H]1C(=O)[O-]	REAL300012002374	0	50	0.0	-72.80	404.49	9.96	-62.84
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CC=C3OC2)C[C@@H]1C(=O)[O-]	REAL300012002375	0	53	0.0	-78.67	411.68	9.09	-69.58
CC1=CC=C(C2=NNC=C2C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012002376	0	54	0.0	-72.44	428.60	7.69	-64.75
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CNN=C2C2=CC=CN=C2)C[C@@H]1C(=O)[O-]	REAL300012002377	0	53	0.0	-79.51	417.24	6.70	-72.81
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)S2)C[C@@H]1C(=O)[O-]	REAL300012002378	0	44	0.0	-72.59	374.82	8.31	-64.28
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=CC=CN=C32)C[C@@H]1C(=O)[O-]	REAL300012002379	0	52	0.0	-68.56	407.36	9.10	-59.46
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002380	0	54	0.0	-80.41	425.90	9.79	-70.62
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002381	0	53	0.0	-83.32	420.84	11.11	-72.21
CCC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012002382	0	50	0.0	-70.16	391.70	8.32	-61.84
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=CC=C2F)C[C@@H]1C(=O)[O-]	REAL300012002383	0	47	0.0	-70.13	378.56	8.69	-61.44
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012002384	0	47	0.0	-77.03	384.07	9.17	-67.86
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C(Cl)=C2)C[C@@H]1C(=O)[O-]	REAL300012002385	0	47	0.0	-79.63	390.13	9.12	-70.51
CCOC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002386	0	54	0.0	-72.30	420.71	8.67	-63.63
CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1F	REAL300012002387	0	50	0.0	-74.23	394.26	9.27	-64.96
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(Cl)=CC=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012002388	0	47	0.0	-66.80	396.20	9.56	-57.24
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=C(F)C(F)=C2)C[C@@H]1C(=O)[O-]	REAL300012002389	0	47	0.0	-84.39	386.54	8.77	-75.62
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CC=C3S2)C[C@@H]1C(=O)[O-]	REAL300012002390	0	50	0.0	-71.69	404.94	10.12	-61.57
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)C(F)=C2)C[C@@H]1C(=O)[O-]	REAL300012002391	0	47	0.0	-79.72	390.13	9.13	-70.59
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CN=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012002392	0	46	0.0	-69.60	374.49	7.20	-62.40
CC(C)C1=NN(C)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002393	0	56	0.0	-76.93	431.10	8.25	-68.68
COCCOC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002394	0	58	0.0	-73.45	454.34	7.94	-65.51
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1Cl	REAL300012002395	0	51	0.0	-77.39	413.07	8.41	-68.98
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2OCCO3)C[C@@H]1C(=O)[O-]	REAL300012002396	0	53	0.0	-71.57	408.78	7.84	-63.73
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2OCCCO3)C[C@@H]1C(=O)[O-]	REAL300012002397	0	56	0.0	-72.67	427.45	8.62	-64.05
CCCOC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002398	0	57	0.0	-72.28	442.21	9.47	-62.81
CC(C)OC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002399	0	57	0.0	-73.14	438.62	9.29	-63.85
CC(C)C1=NC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CS1	REAL300012002400	1	52	0.0	-74.03	413.41	7.62	-66.41
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC(C(C)(C)C)=N2)C[C@@H]1C(=O)[O-]	REAL300012002401	1	55	0.0	-68.12	436.05	7.99	-60.13
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)OC=C1	REAL300012002402	0	47	0.0	-74.34	366.94	7.35	-66.99
CC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CN=C1Cl	REAL300012002403	0	49	0.0	-80.41	399.85	7.67	-72.74
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C3=CC=CN=C23)C[C@@H]1C(=O)[O-]	REAL300012002404	0	52	0.0	-72.47	414.77	9.01	-63.46
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=CC3=CC=CN=C32)C[C@@H]1C(=O)[O-]	REAL300012002405	0	52	0.0	-69.58	413.77	9.17	-60.41
COC1=CC=C2OC(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC2=C1	REAL300012002406	0	54	0.0	-80.46	423.00	8.41	-72.05
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC=CC2=CC=C(Cl)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002407	0	51	0.0	-76.87	415.32	10.38	-66.49
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C2=CC=CC=C2O1	REAL300012002408	0	53	0.0	-73.78	414.96	9.69	-64.09
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=COC3=CC=CC=C23)C[C@@H]1C(=O)[O-]	REAL300012002409	0	50	0.0	-75.11	397.25	8.81	-66.30
CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=C1	REAL300012002410	0	49	0.0	-68.93	385.77	7.26	-61.67
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC=CC2=CC=C(F)C=C2F)C[C@@H]1C(=O)[O-]	REAL300012002411	0	51	0.0	-80.41	412.31	9.85	-70.56
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002412	0	54	0.0	-71.68	428.25	9.57	-62.11
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(Cl)SC=C2)C[C@@H]1C(=O)[O-]	REAL300012002413	0	44	0.0	-66.14	371.78	8.12	-58.02
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(Cl)=CC3=C2OCC3)C[C@@H]1C(=O)[O-]	REAL300012002414	0	52	0.0	-71.24	418.37	8.97	-62.27
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=C(F)C=CC=C3N2)C[C@@H]1C(=O)[O-]	REAL300012002415	0	51	0.0	-77.36	405.94	8.60	-68.76
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=C(F)C=C3N2)C[C@@H]1C(=O)[O-]	REAL300012002416	0	51	0.0	-81.74	404.16	8.63	-73.11
CCOC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002417	0	53	0.0	-77.54	414.67	6.18	-71.36
CC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC2=CC=CN=C12	REAL300012002418	0	55	0.0	-80.63	426.90	9.77	-70.86
CC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1Cl	REAL300012002419	0	50	0.0	-74.99	403.01	9.67	-65.32
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C3C=CSC3=C2)C[C@@H]1C(=O)[O-]	REAL300012002420	0	49	0.0	-81.64	397.52	8.07	-73.57
CCCC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002421	0	56	0.0	-71.00	431.93	10.77	-60.23
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C#N	REAL300012002422	0	52	0.0	-84.02	417.26	8.28	-75.74
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002423	0	53	0.0	-75.50	416.59	10.15	-65.35
CCOC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=C1	REAL300012002424	0	53	0.0	-71.09	415.77	6.81	-64.28
C=CCOC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002425	0	55	0.0	-72.54	433.61	9.26	-63.28
CC1=CC(C)=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C	REAL300012002426	0	56	0.0	-72.05	419.12	10.44	-61.61
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC(C)(C)C2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300012002427	0	56	0.0	-72.30	417.42	10.14	-62.16
CC1CCC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)CC1	REAL300012002428	0	56	0.0	-71.39	402.37	9.29	-62.10
CC(CCC1=CC=CC=C1)C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002429	0	59	0.0	-74.12	448.26	11.29	-62.83
CCC1CCCC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C1	REAL300012002430	0	59	0.0	-72.45	429.31	10.01	-62.44
CCC1=CC=CC(Cl)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002431	0	53	0.0	-64.24	416.77	10.24	-54.00
CC1=C(C)C=C2OC(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC2=C1	REAL300012002432	0	56	0.0	-78.93	431.84	10.32	-68.61
CCCC1CCC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)CC1	REAL300012002433	0	62	0.0	-71.94	440.41	10.70	-61.24
CC1CCCCC1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002434	0	56	0.0	-72.18	400.65	8.99	-63.19
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002435	0	54	0.0	-83.99	421.59	10.98	-73.01
COC1=CC=C(C)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002436	0	54	0.0	-68.08	415.42	8.65	-59.43
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1F	REAL300012002437	0	51	0.0	-79.39	403.27	7.94	-71.45
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C[C@@H]1C(=O)[O-]	REAL300012002438	0	56	0.0	-74.95	418.92	9.58	-65.37
CC(C)C1CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)CCO1	REAL300012002439	0	60	0.0	-74.09	438.65	8.64	-65.45
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C[C@@H]1C(=O)[O-]	REAL300012002440	0	59	0.0	-71.77	422.53	9.79	-61.98
CCSC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002441	0	54	0.0	-72.35	431.03	10.30	-62.05
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(O)C=CC(Cl)=C2F)C[C@@H]1C(=O)[O-]	REAL300012002442	1	48	0.0	-74.06	398.71	6.31	-67.75
COC1(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)CCCCC1	REAL300012002443	0	57	0.0	-69.67	412.27	7.77	-61.90
CCN1N=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C2=CC=CC=C21	REAL300012002444	0	56	0.0	-71.20	441.12	9.23	-61.97
COCCC1(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)CCCCC1	REAL300012002445	0	63	0.0	-72.93	437.33	8.55	-64.38
CCCOC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002446	0	57	0.0	-76.22	438.49	9.63	-66.59
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CC=C3O2)C[C@@H]1C(=O)[O-]	REAL300012002447	0	50	0.0	-78.98	393.53	9.11	-69.87
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C[C@@H]1C(=O)[O-]	REAL300012002448	0	54	0.0	-72.84	429.60	10.33	-62.51
CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1[N+](=O)[O-]	REAL300012002449	0	52	0.0	-82.28	411.74	9.76	-72.52
CC(C)OC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002450	0	57	0.0	-76.83	434.91	9.45	-67.38
CC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1F	REAL300012002451	0	50	0.0	-76.21	394.27	9.26	-66.95
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C3NC=CC3=CC=C2)C[C@@H]1C(=O)[O-]	REAL300012002452	0	51	0.0	-72.99	400.69	8.45	-64.54
CC(C)CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002453	0	59	0.0	-70.88	448.70	11.27	-59.61
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1[N+](=O)[O-]	REAL300012002454	0	53	0.0	-89.30	423.07	9.30	-80.00
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C[C@@H]1C(=O)[O-]	REAL300012002455	0	47	0.0	-80.31	400.94	9.53	-70.78
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=CC(Cl)=C2)C[C@@H]1C(=O)[O-]	REAL300012002456	0	47	0.0	-80.04	388.79	9.17	-70.87
CC1=CC=CC(C)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002457	0	53	0.0	-71.61	399.66	9.61	-62.00
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(Br)=CO2)C[C@@H]1C(=O)[O-]	REAL300012002458	0	44	0.0	-77.14	368.10	7.36	-69.78
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(OC(F)F)=C2)C[C@@H]1C(=O)[O-]	REAL300012002459	0	51	0.0	-76.29	408.61	8.03	-68.26
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)C=C2F)C[C@@H]1C(=O)[O-]	REAL300012002460	0	47	0.0	-78.32	387.07	9.18	-69.14
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(Cl)=CC=C2F)C[C@@H]1C(=O)[O-]	REAL300012002461	0	47	0.0	-69.43	388.89	9.13	-60.30
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=CC(F)=C2)C[C@@H]1C(=O)[O-]	REAL300012002462	0	47	0.0	-82.23	380.30	8.65	-73.58
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(Cl)=C2F)C[C@@H]1C(=O)[O-]	REAL300012002463	0	47	0.0	-74.44	389.34	9.10	-65.34
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C[C@@H]1C(=O)[O-]	REAL300012002464	0	54	0.0	-79.85	424.38	8.85	-71.00
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NNC=C2C2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300012002464	1	54	0.0	-69.07	428.05	8.40	-60.67
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(F)=C2F)C[C@@H]1C(=O)[O-]	REAL300012002465	0	47	0.0	-75.65	379.45	8.66	-66.99
CN1C2=CC=CC=C2N=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002466	0	53	0.0	-73.97	414.85	8.94	-65.03
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012002467	0	50	0.0	-80.02	392.69	5.29	-74.73
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3OCCC3=C2)C[C@@H]1C(=O)[O-]	REAL300012002468	0	52	0.0	-75.93	405.27	8.29	-67.64
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C[C@@H]1C(=O)[O-]	REAL300012002469	0	57	0.0	-76.90	439.87	12.00	-64.90
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(N3CCCC3)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002470	0	58	0.0	-76.74	442.42	8.43	-68.31
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C3C=CNC3=CC=C2)C[C@@H]1C(=O)[O-]	REAL300012002471	0	51	0.0	-70.35	400.51	8.45	-61.90
CC1=CC(F)=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002472	0	50	0.0	-74.05	388.74	9.24	-64.81
CC1=NC(C)=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002473	0	49	0.0	-75.40	391.73	7.09	-68.31
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C[C@@H]1C(=O)[O-]	REAL300012002474	0	56	0.0	-74.61	441.02	10.33	-64.28
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C[C@@H]1C(=O)[O-]	REAL300012002475	0	56	0.0	-79.45	434.87	10.23	-69.22
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C[C@@H]1C(=O)[O-]	REAL300012002476	0	56	0.0	-78.29	438.77	10.10	-68.19
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002477	0	62	0.0	-74.41	459.64	9.13	-65.28
CNC(=O)C1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002478	0	54	0.0	-84.27	422.11	6.88	-77.39
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CC=C3C=C2)C[C@@H]1C(=O)[O-]	REAL300012002479	0	53	0.0	-74.47	415.47	10.70	-63.77
COC1=C2OC(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC2=CC=C1	REAL300012002480	0	54	0.0	-81.63	423.03	8.41	-73.22
COC1=CC(OC)=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002481	0	55	0.0	-77.31	426.48	7.12	-70.19
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CC=C3NC2=O)C[C@@H]1C(=O)[O-]	REAL300012002483	0	53	0.0	-71.17	417.90	7.64	-63.53
COC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1SC	REAL300012002484	0	55	0.0	-77.12	436.46	8.91	-68.21
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C[C@@H]1C(=O)[O-]	REAL300012002485	0	54	0.0	-79.70	426.94	8.51	-71.19
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C[C@@H]1C(=O)[O-]	REAL300012002486	1	53	0.0	-75.92	422.26	8.27	-67.65
CN1C=NC2=CC(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC=C21	REAL300012002487	0	53	0.0	-81.74	414.25	9.96	-71.78
CCN1N=C(C)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1C	REAL300012002488	0	56	0.0	-74.88	428.32	8.19	-66.69
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C[C@@H]1C(=O)[O-]	REAL300012002489	0	58	0.0	-75.53	444.95	9.81	-65.72
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=COC(C3=CC=CC=C3)=N2)C[C@@H]1C(=O)[O-]	REAL300012002490	1	53	0.0	-72.74	426.01	6.87	-65.87
CC1=CC=C(F)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002491	0	50	0.0	-67.16	393.57	9.29	-57.87
CC1=CC=C(F)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002492	0	50	0.0	-73.08	391.16	9.07	-64.01
CC1=NC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002493	0	49	0.0	-73.73	377.44	7.38	-66.35
CC(C)COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002494	0	60	0.0	-75.96	458.60	10.32	-65.64
COCCOC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002495	0	58	0.0	-78.09	450.62	8.10	-69.99
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCCC(C)(C)C2)C[C@@H]1C(=O)[O-]	REAL300012002496	0	59	0.0	-72.87	420.63	9.81	-63.06
CC1=CCCC(C)C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002497	0	57	0.0	-67.08	413.46	9.80	-57.28
COC1=CC2=C(C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1)OCO2	REAL300012002498	0	54	0.0	-72.97	421.71	6.60	-66.37
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=CC3=CC=CC=C32)C[C@@H]1C(=O)[O-]	REAL300012002499	0	52	0.0	-72.46	403.91	8.94	-63.52
CC(C)COC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002500	0	60	0.0	-73.01	462.32	10.17	-62.84
CC1=CC(Cl)=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002501	0	50	0.0	-73.11	399.07	9.69	-63.42
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC=CC2=CC=C(F)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002502	0	51	0.0	-77.82	405.00	9.92	-67.90
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002503	0	46	0.0	-82.00	377.36	7.24	-74.76
CN1N=NC2=CC(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC=C21	REAL300012002504	0	52	0.0	-84.61	411.53	7.03	-77.58
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCCCCC2)C[C@@H]1C(=O)[O-]	REAL300012002505	0	56	0.0	-72.90	398.23	9.43	-63.47
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C[C@@H]1C(=O)[O-]	REAL300012002506	0	58	0.0	-68.18	444.76	9.79	-58.39
COC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002507	0	50	0.0	-71.68	396.21	5.08	-66.60
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C[C@@H]1C(=O)[O-]	REAL300012002508	0	54	0.0	-77.16	427.71	9.64	-67.52
CC(C)N1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012002509	0	53	0.0	-75.79	408.65	7.78	-68.01
CC1=NC2=CC=C(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)C=C2C=C1	REAL300012002510	0	55	0.0	-80.14	432.05	9.42	-70.72
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=CC=C2C(F)(F)F)C[C@@H]1C(=O)[O-]	REAL300012002511	0	49	0.0	-68.79	389.56	7.65	-61.14
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC(F)=CC=C3O2)C[C@@H]1C(=O)[O-]	REAL300012002512	0	50	0.0	-81.04	399.94	9.18	-71.86
COCC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002513	0	54	0.0	-75.70	420.71	8.31	-67.39
CCCCOC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002514	0	60	0.0	-67.34	460.49	10.43	-56.91
COC1=CC(C)=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1OC	REAL300012002515	0	58	0.0	-79.42	439.96	8.37	-71.05
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CNN=C2C2=CSC=C2)C[C@@H]1C(=O)[O-]	REAL300012002516	0	51	0.0	-75.07	412.56	7.47	-67.60
CC1CCC2=C(C1)SC(C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1)=N2	REAL300012002517	0	56	0.0	-71.80	436.73	8.89	-62.91
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCC(C(C)(C)C)CC2)C[C@@H]1C(=O)[O-]	REAL300012002518	0	65	0.0	-72.02	448.63	10.69	-61.33
CC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C(C)O1	REAL300012002519	0	50	0.0	-70.96	391.11	8.06	-62.90
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(OCC3CC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002520	0	58	0.0	-76.44	448.67	10.41	-66.03
CC(C)CC1=NC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002521	0	55	0.0	-72.26	433.98	8.52	-63.74
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(Cl)OC3=CC=CC=C32)C[C@@H]1C(=O)[O-]	REAL300012002522	0	50	0.0	-71.96	409.76	9.54	-62.42
COCCOC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002523	0	58	0.0	-68.39	451.12	8.12	-60.27
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC3=C(CCC3)S2)C[C@@H]1C(=O)[O-]	REAL300012002524	0	50	0.0	-70.46	398.22	7.74	-62.72
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002525	0	51	0.0	-76.54	395.14	7.90	-68.64
CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012002526	0	47	0.0	-70.70	372.01	7.40	-63.30
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300012002527	0	47	0.0	-73.87	365.62	8.60	-65.27
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C(C)(C)C)S2)C[C@@H]1C(=O)[O-]	REAL300012002528	0	55	0.0	-71.87	434.39	8.35	-63.52
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3OCCOC3=C2)C[C@@H]1C(=O)[O-]	REAL300012002529	0	53	0.0	-75.38	412.05	7.72	-67.66
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(Br)=C2)C[C@@H]1C(=O)[O-]	REAL300012002530	0	47	0.0	-73.93	390.64	9.06	-64.87
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(Cl)=C2)C[C@@H]1C(=O)[O-]	REAL300012002531	0	47	0.0	-73.89	386.09	8.95	-64.94
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C3=CC=CC=C3)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002532	0	54	0.0	-79.55	424.48	9.80	-69.75
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C(C)(C)C)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002533	0	56	0.0	-74.41	430.31	8.40	-66.01
CC1=CC(C)=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002534	0	53	0.0	-74.58	410.20	9.86	-64.72
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(CO)O2)C[C@@H]1C(=O)[O-]	REAL300012002535	0	48	0.0	-77.92	379.95	4.22	-73.70
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CS2)C[C@@H]1C(=O)[O-]	REAL300012002536	0	44	0.0	-69.06	357.77	7.67	-61.39
CC(=O)NC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002537	0	54	0.0	-79.30	422.01	7.48	-71.82
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012002538	0	47	0.0	-67.84	378.57	9.07	-58.77
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC([N+](=O)[O-])=C2)C[C@@H]1C(=O)[O-]	REAL300012002539	0	49	0.0	-83.53	397.57	9.12	-74.41
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C([N+](=O)[O-])C=C2)C[C@@H]1C(=O)[O-]	REAL300012002540	0	49	0.0	-86.56	395.77	9.26	-77.30
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=CC=CC=C32)C[C@@H]1C(=O)[O-]	REAL300012002541	0	53	0.0	-74.76	406.86	10.76	-64.00
CN(C)C1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002542	0	55	0.0	-73.72	418.15	9.02	-64.70
CCN(CC)C1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002543	0	61	0.0	-70.22	462.68	10.89	-59.33
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Br)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002544	0	47	0.0	-78.29	386.92	9.22	-69.07
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002545	0	47	0.0	-78.12	382.36	9.12	-69.00
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(F)C=CC=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012002546	0	47	0.0	-65.19	388.59	8.86	-56.33
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002547	0	47	0.0	-79.29	372.04	8.67	-70.62
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2OC(F)F)C[C@@H]1C(=O)[O-]	REAL300012002548	0	51	0.0	-71.76	405.39	8.20	-63.56
COC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1OC	REAL300012002549	0	55	0.0	-71.35	424.66	7.89	-63.46
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)C=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012002550	0	47	0.0	-76.03	394.41	9.61	-66.42
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1OC	REAL300012002551	0	55	0.0	-77.17	426.29	7.76	-69.41
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(OC)=C1	REAL300012002552	0	55	0.0	-70.63	423.42	7.29	-63.34
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002553	0	50	0.0	-81.01	404.35	9.60	-71.41
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C=C2F)C[C@@H]1C(=O)[O-]	REAL300012002554	0	47	0.0	-79.30	376.75	8.73	-70.57
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(Cl)=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012002555	0	47	0.0	-72.37	395.47	9.48	-62.89
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)C(Cl)=C2)C[C@@H]1C(=O)[O-]	REAL300012002556	0	47	0.0	-78.49	399.46	9.53	-68.96
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CC=CCC2)C[C@@H]1C(=O)[O-]	REAL300012002557	0	51	0.0	-74.91	380.84	8.75	-66.16
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(OC(F)F)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002558	0	51	0.0	-79.58	404.89	8.18	-71.40
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2C(F)(F)F)C[C@@H]1C(=O)[O-]	REAL300012002559	0	50	0.0	-71.91	394.50	9.68	-62.23
CCCCOC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002560	0	60	0.0	-76.21	459.99	10.41	-65.80
COC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002561	0	51	0.0	-72.51	398.87	7.74	-64.77
CC(=CC1=CC=CC=C1)C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002562	0	54	0.0	-72.97	415.78	10.36	-62.61
CCOC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1OC	REAL300012002563	0	58	0.0	-77.04	448.15	8.68	-68.36
CC(C)C1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002564	0	56	0.0	-73.61	425.86	10.53	-63.08
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C(F)(F)F)=C2)C[C@@H]1C(=O)[O-]	REAL300012002565	0	50	0.0	-76.20	408.41	9.45	-66.75
CCOC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002566	0	54	0.0	-67.35	417.49	8.85	-58.50
CCOC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002567	0	54	0.0	-76.38	417.00	8.83	-67.55
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2F)C[C@@H]1C(=O)[O-]	REAL300012002568	0	47	0.0	-69.87	371.44	8.64	-61.23
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(F)=C2)C[C@@H]1C(=O)[O-]	REAL300012002569	0	47	0.0	-74.88	375.76	8.51	-66.37
COC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002570	0	51	0.0	-68.22	393.98	8.00	-60.22
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)SC=C1	REAL300012002571	0	47	0.0	-72.36	374.35	8.26	-64.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002572	0	57	0.0	-77.06	439.85	12.02	-65.04
CC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002573	0	50	0.0	-69.23	382.38	9.18	-60.05
CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002574	0	50	0.0	-73.78	387.04	9.28	-64.50
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C#N)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002575	0	48	0.0	-85.03	386.48	9.00	-76.03
CSC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002576	0	51	0.0	-76.75	405.85	9.62	-67.13
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(Cl)C=CC=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012002577	0	47	0.0	-65.35	393.74	9.42	-55.93
CC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002578	0	50	0.0	-71.43	390.76	9.11	-62.32
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC=C2)C[C@@H]1C(=O)[O-]	REAL300012002579	0	44	0.0	-74.10	355.63	7.53	-66.57
CCC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002580	0	53	0.0	-73.73	408.53	10.04	-63.69
CC1=CC(C)=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1	REAL300012002581	0	56	0.0	-68.50	422.18	10.30	-58.20
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(F)C=CC=C2F)C[C@@H]1C(=O)[O-]	REAL300012002582	0	47	0.0	-68.85	376.26	8.64	-60.21
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C(F)=C2)C[C@@H]1C(=O)[O-]	REAL300012002583	0	47	0.0	-81.17	380.25	8.68	-72.49
CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002584	0	47	0.0	-68.95	379.66	8.49	-60.46
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2Br)C[C@@H]1C(=O)[O-]	REAL300012002585	0	47	0.0	-66.99	382.16	9.18	-57.81
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1O	REAL300012002586	0	52	0.0	-76.19	407.81	5.70	-70.49
CC1=NN(C)C(C)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002587	0	53	0.0	-75.57	407.53	7.36	-68.21
CC1=NN(C)C(Cl)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002588	0	50	0.0	-74.68	404.84	7.27	-67.41
CCC1=NN(C)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002589	0	53	0.0	-78.01	411.35	7.67	-70.34
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(CC(F)(F)F)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002590	0	50	0.0	-84.56	407.87	7.76	-76.80
CN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C(C)(C)C)=N1	REAL300012002591	0	59	0.0	-73.04	439.77	8.65	-64.39
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CN=C2)C[C@@H]1C(=O)[O-]	REAL300012002592	0	46	0.0	-74.54	362.37	6.80	-67.74
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CO2)C[C@@H]1C(=O)[O-]	REAL300012002593	0	44	0.0	-71.04	350.10	6.57	-64.47
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NC=C2)C[C@@H]1C(=O)[O-]	REAL300012002594	0	46	0.0	-76.20	362.42	6.82	-69.38
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)O2)C[C@@H]1C(=O)[O-]	REAL300012002595	0	44	0.0	-73.29	367.17	7.19	-66.10
CCOC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1OC	REAL300012002596	0	58	0.0	-71.14	446.51	8.81	-62.33
C#CCOC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002597	0	53	0.0	-68.93	423.27	9.39	-59.54
CC1=NOC(C)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002598	0	49	0.0	-76.71	384.67	7.36	-69.35
CC1=NC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CS1	REAL300012002599	1	46	0.0	-68.08	374.10	6.27	-61.81
COC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC2=C1OCO2	REAL300012002600	0	54	0.0	-84.05	421.23	6.53	-77.52
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(C3=CC=CC=C3)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002601	1	53	0.0	-74.56	421.98	8.37	-66.19
CN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012002602	0	47	0.0	-79.04	368.68	6.43	-72.61
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C	REAL300012002603	0	54	0.0	-73.79	417.12	8.61	-65.18
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CNN=C2C(C)(C)C)C[C@@H]1C(=O)[O-]	REAL300012002604	0	56	0.0	-73.37	411.36	7.45	-65.92
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=CN2)C[C@@H]1C(=O)[O-]	REAL300012002605	0	44	0.0	-71.92	346.98	5.29	-66.63
COC1=CC=CC(OC)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002606	0	55	0.0	-65.52	421.16	7.29	-58.23
CN1C=CN=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002607	0	47	0.0	-71.45	369.02	6.80	-64.65
CC(C)(C)C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002608	0	49	0.0	-69.53	361.98	7.73	-61.80
COC1=CC=C(F)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002609	0	51	0.0	-68.41	401.64	7.91	-60.50
CSC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002610	0	48	0.0	-75.69	399.39	8.94	-66.75
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2OCO3)C[C@@H]1C(=O)[O-]	REAL300012002611	0	50	0.0	-72.95	393.56	7.23	-65.72
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=CN=C2)C[C@@H]1C(=O)[O-]	REAL300012002612	0	45	0.0	-81.62	355.26	6.61	-75.01
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(Cl)C=CS2)C[C@@H]1C(=O)[O-]	REAL300012002613	0	44	0.0	-67.52	373.06	8.10	-59.42
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002614	0	53	0.0	-86.98	426.32	6.12	-80.86
COC1=CC=C(F)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002615	0	51	0.0	-71.76	400.41	8.06	-63.70
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NNC=C2)C[C@@H]1C(=O)[O-]	REAL300012002616	0	44	0.0	-75.04	345.55	4.98	-70.06
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(N)=O)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002617	0	51	0.0	-84.45	400.65	5.42	-79.03
COC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1F	REAL300012002618	0	51	0.0	-79.75	403.28	7.93	-71.82
COC1=CC=C(Cl)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002619	0	51	0.0	-70.86	410.73	8.50	-62.36
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=CS2)C[C@@H]1C(=O)[O-]	REAL300012002620	0	43	0.0	-76.03	350.39	5.83	-70.20
CN1C=NC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002621	0	47	0.0	-76.44	369.47	7.58	-68.86
COC(=O)C1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CN1C	REAL300012002622	0	54	0.0	-80.17	428.78	8.63	-71.54
CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1Cl	REAL300012002623	0	50	0.0	-73.17	403.00	9.67	-63.50
COC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1C	REAL300012002624	0	54	0.0	-73.39	417.13	8.61	-64.78
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC=N2)C[C@@H]1C(=O)[O-]	REAL300012002625	1	43	0.0	-68.46	352.17	5.58	-62.88
CC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1F	REAL300012002626	0	50	0.0	-70.19	393.49	9.24	-60.95
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C#N)C=C2F)C[C@@H]1C(=O)[O-]	REAL300012002627	0	48	0.0	-85.10	391.16	9.06	-76.04
CC1=NNC(C)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002628	0	50	0.0	-77.55	386.01	6.11	-71.44
CC1=NNC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002629	0	47	0.0	-77.37	365.37	5.70	-71.67
CN1N=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002630	0	47	0.0	-79.12	366.49	6.19	-72.93
C#CCCOC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002631	0	56	0.0	-77.45	444.27	10.15	-67.30
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN3C=CC=CC3=N2)C[C@@H]1C(=O)[O-]	REAL300012002632	0	50	0.0	-70.79	394.53	9.07	-61.72
CC1=NN(C)C2=NC=C(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)C=C12	REAL300012002633	0	55	0.0	-85.81	431.91	8.32	-77.49
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC(C3CC3)=N2)C[C@@H]1C(=O)[O-]	REAL300012002634	1	50	0.0	-74.55	402.10	7.81	-66.74
CCC1=NC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CS1	REAL300012002635	1	49	0.0	-74.16	393.69	7.05	-67.11
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C[C@@H]1C(=O)[O-]	REAL300012002636	0	50	0.0	-71.34	411.25	9.57	-61.77
CC1=NN(C)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002637	0	50	0.0	-74.82	389.94	6.95	-67.87
CCN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012002638	0	50	0.0	-78.86	389.99	7.26	-71.60
CN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=N1	REAL300012002639	1	46	0.0	-75.31	366.17	4.95	-70.36
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C(N)=O)=C2)C[C@@H]1C(=O)[O-]	REAL300012002640	0	51	0.0	-77.13	403.90	5.22	-71.91
CN1C=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002641	0	47	0.0	-69.67	372.23	6.16	-63.51
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=CN2CC(F)(F)F)C[C@@H]1C(=O)[O-]	REAL300012002642	0	50	0.0	-74.75	406.55	7.93	-66.82
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CCCCCCC2)C[C@@H]1C(=O)[O-]	REAL300012002643	0	59	0.0	-71.83	412.01	9.61	-62.22
CC1=CSC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002644	0	46	0.0	-72.47	373.99	6.27	-66.20
COC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1F	REAL300012002645	0	51	0.0	-73.38	402.47	7.91	-65.47
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3CCCC3=C2)C[C@@H]1C(=O)[O-]	REAL300012002646	0	54	0.0	-74.28	411.16	10.51	-63.77
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=COC=N2)C[C@@H]1C(=O)[O-]	REAL300012002647	1	43	0.0	-76.98	341.53	3.24	-73.74
CC(C)COC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002648	0	60	0.0	-67.63	457.41	10.41	-57.22
CCN1N=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002649	0	50	0.0	-77.07	383.58	7.15	-69.92
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC3=C(CCCC3)S2)C[C@@H]1C(=O)[O-]	REAL300012002650	0	53	0.0	-69.80	416.11	8.32	-61.48
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=NC=C3C=C2)C[C@@H]1C(=O)[O-]	REAL300012002651	0	52	0.0	-79.11	410.36	8.93	-70.18
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)SC=N1	REAL300012002652	0	46	0.0	-75.75	369.72	6.38	-69.37
COC1=CC(F)=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002653	0	51	0.0	-75.42	403.46	7.95	-67.47
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C(C)(C)C)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002654	0	57	0.0	-81.11	437.48	8.57	-72.54
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=CS1	REAL300012002655	0	47	0.0	-70.40	376.53	8.16	-62.24
CS(=O)C1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002656	0	52	0.0	-83.11	419.76	7.18	-75.93
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3CCCCC3=C2)C[C@@H]1C(=O)[O-]	REAL300012002657	0	57	0.0	-71.52	432.05	10.93	-60.59
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C#N)=N2)C[C@@H]1C(=O)[O-]	REAL300012002658	0	47	0.0	-87.07	381.61	7.06	-80.01
COC(=O)C1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CN1	REAL300012002659	0	51	0.0	-78.44	411.01	6.88	-71.56
COCC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012002660	0	51	0.0	-77.12	402.19	6.63	-70.49
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1OC	REAL300012002661	0	58	0.0	-77.83	439.67	8.51	-69.32
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC(Cl)=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012002662	0	44	0.0	-73.32	390.36	8.44	-64.88
CC1=NC(F)=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002663	0	49	0.0	-79.64	383.88	7.32	-72.32
COC1=CC(C)=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002664	0	54	0.0	-68.14	415.36	8.66	-59.48
CC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CS1	REAL300012002665	0	47	0.0	-71.54	381.22	8.19	-63.35
CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=N1	REAL300012002666	0	48	0.0	-73.65	379.07	6.29	-67.36
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C(F)(F)F)S2)C[C@@H]1C(=O)[O-]	REAL300012002667	0	46	0.0	-79.22	393.61	6.97	-72.25
CN1N=NC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002668	0	46	0.0	-86.33	362.15	4.92	-81.41
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(S(C)(=O)=O)=C2)C[C@@H]1C(=O)[O-]	REAL300012002669	0	53	0.0	-81.24	430.06	5.96	-75.28
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(Cl)=CS2)C[C@@H]1C(=O)[O-]	REAL300012002670	0	44	0.0	-72.16	374.65	8.18	-63.98
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C3CCCC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002671	0	60	0.0	-71.07	451.78	11.80	-59.27
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N(C)N=C1	REAL300012002672	0	50	0.0	-75.03	388.44	6.77	-68.26
CC1=CC(Cl)=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002673	0	50	0.0	-77.61	404.01	9.78	-67.83
COCC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002674	0	54	0.0	-73.71	422.61	8.32	-65.39
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=CN2C2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300012002675	0	54	0.0	-66.95	426.94	10.11	-56.84
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C3CC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002676	0	54	0.0	-71.61	416.77	10.68	-60.93
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=C(Cl)S2)C[C@@H]1C(=O)[O-]	REAL300012002677	1	43	0.0	-74.96	369.25	6.30	-68.66
C=CN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012002678	0	48	0.0	-77.49	382.14	7.60	-69.89
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2C2CCCC2)C[C@@H]1C(=O)[O-]	REAL300012002679	0	57	0.0	-78.66	433.56	9.03	-69.63
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(F)F)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002680	0	50	0.0	-77.03	401.71	9.52	-67.51
COC1=CC(C)=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=N1	REAL300012002681	0	56	0.0	-77.71	426.55	6.36	-71.35
COC1=CC=CC(Cl)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002682	0	51	0.0	-66.67	409.68	8.30	-58.37
CCC1=CC(OC)=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002683	0	57	0.0	-72.59	432.22	9.02	-63.57
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=NN1C	REAL300012002684	0	50	0.0	-73.22	387.14	6.81	-66.41
CCCN1N=C(C)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1C	REAL300012002685	0	59	0.0	-74.90	449.78	8.94	-65.96
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3CC3)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002686	0	52	0.0	-78.51	409.55	8.23	-70.28
COCCN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012002687	0	54	0.0	-79.99	423.66	6.31	-73.68
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C3CCC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002688	0	57	0.0	-71.26	433.31	11.17	-60.09
CCOC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1F	REAL300012002689	0	54	0.0	-79.41	425.12	8.86	-70.55
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C#N)=CS2)C[C@@H]1C(=O)[O-]	REAL300012002690	0	45	0.0	-80.16	378.82	8.08	-72.08
COC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1C#N	REAL300012002691	0	52	0.0	-86.00	417.26	8.28	-77.72
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=C(C(F)(F)F)S2)C[C@@H]1C(=O)[O-]	REAL300012002692	1	46	0.0	-75.49	394.69	6.76	-68.73
CC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1C#N	REAL300012002693	0	51	0.0	-82.47	407.55	9.46	-73.01
CC1=CN=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002694	0	46	0.0	-70.59	376.05	6.38	-64.21
CC(C)CN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012002695	0	56	0.0	-74.11	433.20	8.79	-65.32
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2C2CC2)C[C@@H]1C(=O)[O-]	REAL300012002696	0	54	0.0	-69.34	410.53	10.58	-58.76
CCC1=CN=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002697	0	49	0.0	-70.53	397.53	7.17	-63.36
CC1=NN(C(C)C)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002698	0	56	0.0	-76.14	428.46	8.40	-67.74
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3CCCC3)S2)C[C@@H]1C(=O)[O-]	REAL300012002699	0	56	0.0	-72.02	439.44	9.19	-62.83
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3CC3)S2)C[C@@H]1C(=O)[O-]	REAL300012002700	0	50	0.0	-75.74	403.56	8.22	-67.52
CC(C)C1=NC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002701	0	52	0.0	-72.04	416.51	7.87	-64.17
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3=CC=CO3)S2)C[C@@H]1C(=O)[O-]	REAL300012002702	0	50	0.0	-75.48	415.34	7.67	-67.81
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(CC(F)F)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002703	0	50	0.0	-80.69	402.98	7.54	-73.15
CN(C)C(=O)C1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N1	REAL300012002704	0	55	0.0	-89.67	423.50	6.77	-82.90
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C(N)=O)=CS2)C[C@@H]1C(=O)[O-]	REAL300012002705	0	48	0.0	-78.39	393.88	4.42	-73.97
CCC1=NN(C)C(CC)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002706	0	59	0.0	-74.53	441.73	8.90	-65.63
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3CCC3)S2)C[C@@H]1C(=O)[O-]	REAL300012002707	0	53	0.0	-75.32	420.36	8.73	-66.59
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3CCCO3)S2)C[C@@H]1C(=O)[O-]	REAL300012002708	0	54	0.0	-75.50	431.17	6.79	-68.71
CCOC1=C(Cl)C=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002709	0	54	0.0	-71.65	435.07	9.46	-62.19
CCC1=CC=CC(F)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002710	0	53	0.0	-66.03	408.02	9.84	-56.19
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(C(F)F)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002711	0	47	0.0	-73.18	385.59	6.35	-66.83
CC(C)C1=CN=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002712	0	52	0.0	-71.80	415.54	7.83	-63.97
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=C(C(C)(C)C)S2)C[C@@H]1C(=O)[O-]	REAL300012002713	0	55	0.0	-70.16	435.68	8.24	-61.92
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(C3CC3)N=CS2)C[C@@H]1C(=O)[O-]	REAL300012002714	0	50	0.0	-72.71	404.83	7.87	-64.84
COC(=O)C1=C(C)N(C)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002715	0	57	0.0	-81.14	447.36	8.95	-72.19
COCCCN1N=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002716	0	57	0.0	-78.18	440.17	6.64	-71.54
CC1=CC(F)=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(Cl)=C1	REAL300012002717	0	50	0.0	-67.47	408.18	9.64	-57.83
CSCC1=CN=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002718	1	50	0.0	-72.68	420.76	7.61	-65.07
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC=C2C(F)(F)F)C[C@@H]1C(=O)[O-]	REAL300012002719	0	47	0.0	-68.07	387.30	8.51	-59.56
CCN1N=C(C)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002720	1	52	0.0	-73.59	406.69	6.16	-67.43
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C3CC3)=C2)C[C@@H]1C(=O)[O-]	REAL300012002721	0	54	0.0	-71.23	416.75	10.66	-60.57
CC1=NN(C)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002722	0	50	0.0	-76.91	391.89	6.60	-70.31
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C#N)C(F)=C2)C[C@@H]1C(=O)[O-]	REAL300012002723	0	48	0.0	-87.39	394.30	9.00	-78.39
CC1=CC(F)=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(F)=C1	REAL300012002724	0	50	0.0	-66.02	399.58	9.29	-56.73
CC(C)CN1N=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002725	0	56	0.0	-75.77	429.83	8.55	-67.22
COC(=O)C1=C(C)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CN1	REAL300012002726	0	54	0.0	-79.79	427.63	7.41	-72.38
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(C)(C)C#N)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002727	0	57	0.0	-79.10	442.75	10.58	-68.52
CC(C)C1=CC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002728	0	56	0.0	-69.50	423.33	10.23	-59.27
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN3CCCCC3=C2)C[C@@H]1C(=O)[O-]	REAL300012002729	0	54	0.0	-74.14	410.27	7.91	-66.23
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=NN2C2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300012002730	0	53	0.0	-75.74	417.88	8.21	-67.53
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CN=CC=C3O2)C[C@@H]1C(=O)[O-]	REAL300012002731	0	49	0.0	-76.63	390.16	7.36	-69.27
COC1=CC(OC)=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1F	REAL300012002732	0	55	0.0	-73.26	431.35	7.31	-65.95
COC1=CC(F)=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1OC	REAL300012002733	0	55	0.0	-78.93	429.12	7.87	-71.06
CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(Cl)=C1	REAL300012002734	0	50	0.0	-72.30	399.12	9.77	-62.53
CCC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002735	0	53	0.0	-70.96	410.43	10.00	-60.96
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(F)=C1	REAL300012002736	0	51	0.0	-76.48	399.82	7.96	-68.52
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2CCC3)C[C@@H]1C(=O)[O-]	REAL300012002737	0	54	0.0	-73.23	408.69	10.50	-62.73
COC1=CC=CC(F)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002738	0	51	0.0	-68.48	400.94	7.91	-60.57
CCCOC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1	REAL300012002739	0	60	0.0	-71.99	455.17	10.19	-61.80
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=NC=C3S2)C[C@@H]1C(=O)[O-]	REAL300012002740	0	49	0.0	-81.36	397.99	8.36	-73.00
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C3CCCN3N=C2)C[C@@H]1C(=O)[O-]	REAL300012002741	0	51	0.0	-74.64	395.83	7.05	-67.59
CCC1=C2OC(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC2=CC=C1	REAL300012002742	0	56	0.0	-72.91	438.33	10.52	-62.39
C=CCCN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=N1	REAL300012002743	1	53	0.0	-82.05	418.64	7.30	-74.75
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2CC2CC2)C[C@@H]1C(=O)[O-]	REAL300012002744	0	54	0.0	-70.02	411.98	8.48	-61.54
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(OC3CC3)=C2F)C[C@@H]1C(=O)[O-]	REAL300012002745	0	55	0.0	-72.51	431.79	9.62	-62.89
CCOC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1	REAL300012002746	0	57	0.0	-72.23	433.67	9.39	-62.84
COC1=NC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002747	0	50	0.0	-71.44	393.27	5.36	-66.08
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C3CCCC3)=C2)C[C@@H]1C(=O)[O-]	REAL300012002748	0	60	0.0	-71.03	451.72	11.78	-59.25
COCC1=CSC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002749	0	51	0.0	-74.79	411.16	7.42	-67.37
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C3CCC3)N=N2)C[C@@H]1C(=O)[O-]	REAL300012002750	1	53	0.0	-73.53	409.74	7.05	-66.48
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC(C(F)(F)F)=C2)C[C@@H]1C(=O)[O-]	REAL300012002751	0	47	0.0	-77.33	399.96	8.59	-68.74
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)O2)C[C@@H]1C(=O)[O-]	REAL300012002752	0	47	0.0	-75.86	391.27	7.80	-68.06
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(C(F)(F)F)SC=C2)C[C@@H]1C(=O)[O-]	REAL300012002753	0	47	0.0	-65.71	390.50	8.58	-57.13
CN(C)C1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=CC(F)=C1F	REAL300012002754	0	55	0.0	-76.32	426.00	8.68	-67.64
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(F)C=CC(F)=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012002755	1	47	0.0	-66.66	392.76	9.07	-57.59
CN(C)C1=CC(F)=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1F	REAL300012002756	0	55	0.0	-75.13	432.31	8.18	-66.95
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C(F)=C2F)C[C@@H]1C(=O)[O-]	REAL300012002757	0	47	0.0	-79.50	384.03	8.77	-70.73
CCCN1N=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002758	0	53	0.0	-73.28	406.81	7.87	-65.41
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002759	0	50	0.0	-82.81	411.12	6.99	-75.82
CCCC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002760	0	53	0.0	-73.27	420.73	10.05	-63.22
CC(C)C1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002761	0	56	0.0	-70.95	427.76	10.51	-60.44
CN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(Cl)=N1	REAL300012002762	0	47	0.0	-79.64	385.29	6.84	-72.80
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(CC3CCC3)=C2)C[C@@H]1C(=O)[O-]	REAL300012002763	0	60	0.0	-73.32	456.70	12.10	-61.22
COC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1Cl	REAL300012002764	0	51	0.0	-77.95	413.08	8.41	-69.54
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2CC2CCC2)C[C@@H]1C(=O)[O-]	REAL300012002765	0	57	0.0	-80.71	434.57	8.92	-71.79
CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(F)=C1	REAL300012002766	0	50	0.0	-74.50	391.79	9.33	-65.17
CC(=O)NC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002767	0	54	0.0	-81.87	425.46	7.34	-74.53
CN1N=CC2=CC(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CN=C21	REAL300012002768	0	52	0.0	-83.13	413.66	7.58	-75.55
CN1N=C2CCCCC2=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002769	0	57	0.0	-79.33	430.05	8.62	-70.71
CC1=C(C)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CS1	REAL300012002770	0	50	0.0	-73.99	392.60	8.81	-65.18
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(Cl)C(F)=C2)C[C@@H]1C(=O)[O-]	REAL300012002771	0	46	0.0	-83.54	386.95	7.13	-76.41
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C[C@@H]1C(=O)[O-]	REAL300012002772	0	53	0.0	-76.49	414.06	10.75	-65.74
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002773	0	57	0.0	-69.11	441.85	9.56	-59.55
CCOC1=CC(F)=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002774	0	54	0.0	-78.25	423.41	8.88	-69.37
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C[C@@H]1C(=O)[O-]	REAL300012002775	0	60	0.0	-71.88	449.79	9.58	-62.30
CC1=C(Cl)C=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002776	0	50	0.0	-74.93	394.75	9.67	-65.26
COC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C(F)C=C1C	REAL300012002777	0	54	0.0	-75.87	419.97	8.70	-67.17
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC(C(C)(C)C)=CS2)C[C@@H]1C(=O)[O-]	REAL300012002778	0	55	0.0	-72.14	432.98	8.25	-63.89
COCCC1=NC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002779	0	53	0.0	-74.40	429.40	6.34	-68.06
CN1N=C2CCSCC2=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002781	0	55	0.0	-78.04	433.78	8.11	-69.93
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2CCOC3)C[C@@H]1C(=O)[O-]	REAL300012002782	0	55	0.0	-72.59	416.18	8.41	-64.18
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3OC(=O)OC3=C2)C[C@@H]1C(=O)[O-]	REAL300012002783	0	49	0.0	-92.20	393.63	9.16	-83.04
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=NC=CC=C23)C[C@@H]1C(=O)[O-]	REAL300012002784	0	52	0.0	-77.26	403.63	8.84	-68.42
CCCOC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C	REAL300012002785	0	60	0.0	-76.00	458.58	10.36	-65.64
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=NC=CN=C3C=C2)C[C@@H]1C(=O)[O-]	REAL300012002786	0	51	0.0	-84.00	401.68	7.00	-77.00
CCOC1=CC=CC(F)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002787	0	54	0.0	-68.29	420.95	8.93	-59.36
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=CC=C1[N+](=O)[O-]	REAL300012002788	0	52	0.0	-83.20	407.84	9.80	-73.40
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002789	0	55	0.0	-85.71	421.72	10.21	-75.50
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(F)=C1OC	REAL300012002790	0	55	0.0	-75.69	433.92	7.96	-67.73
COC(=O)C1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(F)=C1	REAL300012002791	0	53	0.0	-82.23	425.09	9.32	-72.91
CC1=COC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002792	0	47	0.0	-70.33	370.24	7.39	-62.94
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)C=N2)C[C@@H]1C(=O)[O-]	REAL300012002793	0	46	0.0	-71.97	381.08	7.11	-64.86
CC1=CC(C#N)=CC(C)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002794	0	54	0.0	-78.13	421.51	10.01	-68.12
CC1=CN=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012002795	1	46	0.0	-71.56	365.01	4.14	-67.42
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(CCF)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002796	0	50	0.0	-78.29	396.58	7.39	-70.90
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC(C(C)(C)C)=CO2)C[C@@H]1C(=O)[O-]	REAL300012002797	1	55	0.0	-71.93	425.14	5.95	-65.98
CCCC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002798	0	56	0.0	-71.06	431.94	10.81	-60.25
CC1=C2C=C(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)C=NC2=NN1	REAL300012002799	0	52	0.0	-91.68	408.70	7.10	-84.58
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=CS2)C[C@@H]1C(=O)[O-]	REAL300012002800	1	43	0.0	-72.56	352.18	5.68	-66.88
CN1N=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C2=CC=CC=C21	REAL300012002801	0	53	0.0	-73.43	419.30	8.36	-65.07
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C3C=CC=CC3=NN2)C[C@@H]1C(=O)[O-]	REAL300012002802	0	50	0.0	-80.12	394.42	7.19	-72.93
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NNC3=CC=CC=C32)C[C@@H]1C(=O)[O-]	REAL300012002802	1	50	0.0	-71.04	394.64	7.19	-63.85
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002803	0	47	0.0	-82.50	399.32	7.91	-74.59
CCC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002804	0	50	0.0	-73.28	399.24	9.27	-64.01
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=CC3=CC=CC=C32)C[C@@H]1C(=O)[O-]	REAL300012002805	0	52	0.0	-69.58	406.78	8.70	-60.88
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N2C=CC=CC2=N1	REAL300012002806	0	53	0.0	-76.85	415.82	9.41	-67.44
CCC1=NC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002807	0	49	0.0	-72.36	395.73	7.27	-65.09
COC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)SC=C1	REAL300012002808	0	48	0.0	-67.36	385.75	6.99	-60.37
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C[C@@H]1C(=O)[O-]	REAL300012002809	0	53	0.0	-78.42	423.72	6.82	-71.60
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012002810	0	44	0.0	-69.15	372.20	7.98	-61.17
CC1=NN2C(=NC(C)=C2C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)S1	REAL300012002811	0	52	0.0	-73.95	421.91	7.75	-66.20
CCCC(C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1)C1=CC=CC=C1	REAL300012002812	0	59	0.0	-75.11	442.69	11.31	-63.80
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2CC3CCC2C3)C[C@@H]1C(=O)[O-]	REAL300012002813	0	54	0.0	-71.48	392.80	9.20	-62.28
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002814	0	46	0.0	-83.37	366.92	6.76	-76.61
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)S2)C[C@@H]1C(=O)[O-]	REAL300012002815	0	47	0.0	-75.53	398.42	8.89	-66.64
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2(C)CCC2)C[C@@H]1C(=O)[O-]	REAL300012002816	0	50	0.0	-69.51	373.52	8.09	-61.42
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2(C(F)F)CC2)C[C@@H]1C(=O)[O-]	REAL300012002817	0	47	0.0	-72.56	367.75	8.02	-64.54
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)NN=C1	REAL300012002818	0	47	0.0	-78.99	364.88	5.65	-73.34
CC1=CNN=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002818	1	47	0.0	-70.24	367.35	5.59	-64.65
CC1=CN=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N1C	REAL300012002819	0	50	0.0	-78.66	386.02	7.45	-71.21
CC(C)C1CCC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)CC1	REAL300012002820	0	62	0.0	-72.02	435.74	10.41	-61.61
CCC1=NOC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002821	0	49	0.0	-78.07	386.70	7.22	-70.85
CN1N=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1Cl	REAL300012002822	0	47	0.0	-72.86	384.50	6.75	-66.11
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CN=C3O2)C[C@@H]1C(=O)[O-]	REAL300012002823	0	49	0.0	-77.40	392.01	5.92	-71.48
CC1=CN=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002824	0	49	0.0	-74.32	377.67	7.42	-66.90
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C[C@@H]1C(=O)[O-]	REAL300012002825	0	49	0.0	-78.06	408.77	6.42	-71.64
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300012002826	0	54	0.0	-75.10	415.20	10.77	-64.33
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2C2=CC=CC=N2)C[C@@H]1C(=O)[O-]	REAL300012002827	0	53	0.0	-67.34	419.71	9.27	-58.07
CC(C)N1C=CN=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002829	0	53	0.0	-70.06	410.21	8.26	-61.80
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002830	0	50	0.0	-72.24	405.24	7.19	-65.05
CN1N=CC(C2CC2)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002831	0	54	0.0	-74.45	418.31	8.21	-66.24
CN1N=CC(C2CCC2)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002832	0	57	0.0	-74.95	434.63	8.70	-66.25
CC1=NC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N1C	REAL300012002833	0	50	0.0	-76.73	386.81	7.61	-69.12
CC1=C2C=C(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)NC2=CC=C1	REAL300012002834	0	54	0.0	-76.09	422.16	9.03	-67.06
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2C2=CC=NC=C2)C[C@@H]1C(=O)[O-]	REAL300012002835	0	53	0.0	-76.56	417.68	7.57	-68.99
CC1=CC=C2C=C(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)NC2=C1	REAL300012002836	0	54	0.0	-79.04	419.13	9.21	-69.83
CC1=NC=CN=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002837	0	48	0.0	-73.27	376.32	5.25	-68.02
CCOC1=CN=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002838	0	53	0.0	-78.76	411.93	6.99	-71.77
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NC=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012002839	0	46	0.0	-69.61	374.80	7.28	-62.33
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2C2CCOCC2)C[C@@H]1C(=O)[O-]	REAL300012002840	0	58	0.0	-78.57	443.23	7.20	-71.37
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=NNC=C32)C[C@@H]1C(=O)[O-]	REAL300012002841	0	50	0.0	-80.24	395.45	7.14	-73.10
CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002842	0	55	0.0	-71.25	406.93	8.92	-62.33
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NC(F)=C2)C[C@@H]1C(=O)[O-]	REAL300012002843	0	46	0.0	-80.62	368.85	6.74	-73.88
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3C=CNC3=C2)C[C@@H]1C(=O)[O-]	REAL300012002844	0	51	0.0	-77.55	397.23	8.65	-68.90
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=C(C=CNC3=O)O2)C[C@@H]1C(=O)[O-]	REAL300012002845	0	50	0.0	-84.16	398.25	6.07	-78.09
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(F)F)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002846	0	49	0.0	-82.36	395.07	7.67	-74.69
CN(C)C1=CC=C(C#N)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002847	0	56	0.0	-76.62	439.22	8.97	-67.65
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(CC3CCOC3)N=N2)C[C@@H]1C(=O)[O-]	REAL300012002848	1	57	0.0	-78.43	441.66	5.85	-72.58
COC1=CN=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1C	REAL300012002849	0	53	0.0	-74.64	407.87	6.61	-68.03
CC1=CC(C)=C(C=CC[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1	REAL300012002850	0	60	0.0	-74.62	457.58	11.69	-62.93
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(CC3CCCO3)N=N2)C[C@@H]1C(=O)[O-]	REAL300012002851	1	57	0.0	-77.07	441.51	6.35	-70.72
CCCN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=N1	REAL300012002852	1	52	0.0	-74.83	409.07	6.56	-68.27
CN(C)C1=CC=C(F)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002853	0	55	0.0	-71.28	425.01	8.62	-62.66
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C3CC3)C=N2)C[C@@H]1C(=O)[O-]	REAL300012002854	0	51	0.0	-74.55	397.01	9.23	-65.32
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C[C@@H]1C(=O)[O-]	REAL300012002855	0	52	0.0	-84.99	413.07	9.03	-75.96
CC1=CC(C)=C(C=CC[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C	REAL300012002856	0	60	0.0	-75.10	456.27	11.47	-63.63
CC1=NSC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002857	0	46	0.0	-74.63	374.09	6.97	-67.66
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002858	0	52	0.0	-84.39	421.73	3.55	-80.84
CCN1N=CN=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002859	1	49	0.0	-76.52	382.78	7.60	-68.92
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3CC3)O2)C[C@@H]1C(=O)[O-]	REAL300012002860	0	50	0.0	-73.99	398.08	5.75	-68.24
CCC1=CNC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002861	0	50	0.0	-72.45	392.13	6.51	-65.94
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=CC3=C2CCCC3)C[C@@H]1C(=O)[O-]	REAL300012002862	0	56	0.0	-67.36	420.49	9.09	-58.27
CC1=NN(C)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1Cl	REAL300012002863	0	50	0.0	-72.68	407.54	7.07	-65.61
CN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C2CCCC2)=N1	REAL300012002864	0	60	0.0	-75.46	457.89	9.40	-66.06
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3OCCCC3=C2)C[C@@H]1C(=O)[O-]	REAL300012002865	0	55	0.0	-74.53	423.06	9.07	-65.46
CN(C)C(=O)C1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002866	0	57	0.0	-77.88	439.59	8.28	-69.60
CCC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(Cl)=NN1	REAL300012002867	0	50	0.0	-77.39	403.73	6.72	-70.67
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(C3CC3)NN=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012002868	0	51	0.0	-70.29	416.60	7.42	-62.87
CCC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=NO1	REAL300012002869	0	52	0.0	-75.08	403.25	8.19	-66.89
CCN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=N1	REAL300012002870	1	49	0.0	-75.09	387.58	5.79	-69.30
CC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C2CCCCC2=N1	REAL300012002871	0	59	0.0	-75.76	441.95	9.62	-66.14
CCOC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012002872	0	51	0.0	-73.10	404.97	7.95	-65.15
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC(C(F)(F)F)=N2)C[C@@H]1C(=O)[O-]	REAL300012002873	1	46	0.0	-73.62	393.19	6.67	-66.95
CCN1C=NC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002874	0	50	0.0	-74.29	389.75	8.78	-65.51
CC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CN=C1F	REAL300012002875	0	49	0.0	-81.98	390.99	7.23	-74.75
CC1=CC(F)=NC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002876	0	49	0.0	-78.12	384.08	7.37	-70.75
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C(F)F)C(F)=C2)C[C@@H]1C(=O)[O-]	REAL300012002877	0	50	0.0	-82.93	406.97	9.54	-73.39
COC(=O)C1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C	REAL300012002878	0	56	0.0	-80.38	438.39	9.76	-70.62
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1	REAL300012002879	0	54	0.0	-75.15	410.18	8.54	-66.61
CC1CC2=CC(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC=C2O1	REAL300012002880	0	55	0.0	-76.02	426.39	9.05	-66.97
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2OC(=O)N3)C[C@@H]1C(=O)[O-]	REAL300012002881	0	50	0.0	-80.68	399.30	6.08	-74.60
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2OCC3)C[C@@H]1C(=O)[O-]	REAL300012002882	0	52	0.0	-68.78	401.62	8.45	-60.33
CSCC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002883	0	54	0.0	-73.51	433.67	10.47	-63.04
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(CC3CCC3)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002884	0	57	0.0	-78.92	437.90	9.33	-69.59
CN1N=C2CCOCC2=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002885	0	55	0.0	-78.08	424.67	6.04	-72.04
CN1N=C2CCCC2=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002886	0	54	0.0	-75.73	414.28	8.05	-67.68
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2C2CCC2)C[C@@H]1C(=O)[O-]	REAL300012002887	0	54	0.0	-75.49	416.25	8.38	-67.11
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C3CCC3)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002888	0	54	0.0	-75.96	411.70	8.28	-67.68
COC1=CC=C(C)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002889	0	54	0.0	-71.05	414.23	8.29	-62.76
CN1C=NC2=CC=CC(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=C21	REAL300012002890	0	53	0.0	-76.12	405.94	9.82	-66.30
CCC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002891	0	53	0.0	-71.40	399.35	9.91	-61.49
CN(C)C(=O)C1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002892	0	57	0.0	-85.42	436.81	8.50	-76.92
CC1=CC(F)=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002893	0	50	0.0	-78.86	393.68	9.36	-69.50
CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1C	REAL300012002894	0	56	0.0	-72.21	415.42	10.36	-61.85
CCNC(=O)C1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002895	0	57	0.0	-83.79	443.60	7.72	-76.07
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2C(C)(C)C)C[C@@H]1C(=O)[O-]	REAL300012002896	0	59	0.0	-65.80	419.29	10.73	-55.07
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C3CCCCCN23)C[C@@H]1C(=O)[O-]	REAL300012002897	0	57	0.0	-75.22	423.67	8.98	-66.24
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CON=C2C2CC2)C[C@@H]1C(=O)[O-]	REAL300012002898	0	50	0.0	-78.41	397.49	8.05	-70.36
CCN1CCC2=CC(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=CC=C21	REAL300012002899	0	59	0.0	-73.12	447.40	8.91	-64.21
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=NN1C(C)C	REAL300012002900	0	56	0.0	-77.30	427.87	8.45	-68.85
CC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1C1CC1	REAL300012002901	0	57	0.0	-71.31	433.97	11.19	-60.12
CCOC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=N1	REAL300012002902	0	53	0.0	-77.34	416.49	6.20	-71.14
CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1C1CC1	REAL300012002903	0	57	0.0	-71.75	435.79	11.07	-60.68
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012002904	0	48	0.0	-77.70	379.87	7.21	-70.49
COCCOC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012002905	0	55	0.0	-75.35	438.59	7.19	-68.16
CC1=NN(C(C)C)C(C)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002906	0	59	0.0	-77.00	448.95	8.90	-68.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(CCF)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002907	0	50	0.0	-71.16	400.36	7.16	-64.00
CCN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=N1	REAL300012002908	0	53	0.0	-74.71	411.53	7.83	-66.88
CN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C2CC2)=N1	REAL300012002909	0	54	0.0	-77.31	420.69	8.60	-68.71
CN1N=C(C2CC2)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002910	0	54	0.0	-77.41	421.65	8.10	-69.31
CC(C)C1=NOC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002911	0	52	0.0	-81.30	405.62	7.82	-73.48
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C3CCOCC3)O2)C[C@@H]1C(=O)[O-]	REAL300012002912	0	57	0.0	-79.79	438.40	5.10	-74.69
COC1=NC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1F	REAL300012002913	0	50	0.0	-77.53	400.22	5.34	-72.19
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN3C=CN=C3S2)C[C@@H]1C(=O)[O-]	REAL300012002914	0	47	0.0	-88.20	383.03	8.54	-79.66
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C(C(C)(C)C)O1	REAL300012002915	0	59	0.0	-74.80	450.14	10.08	-64.72
CC1=C(C)SC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002916	0	49	0.0	-69.89	393.02	7.01	-62.88
CC1OC2=CC=C(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)C=C2C1C	REAL300012002917	0	58	0.0	-75.76	442.62	9.54	-66.22
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSN=C2)C[C@@H]1C(=O)[O-]	REAL300012002918	0	43	0.0	-80.70	350.36	6.26	-74.44
CC(C)CC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002919	0	59	0.0	-71.76	438.23	11.16	-60.60
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)NN=C1C(F)(F)F	REAL300012002920	0	50	0.0	-80.68	403.11	6.43	-74.25
CC(C)CN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N=N1	REAL300012002921	1	55	0.0	-81.95	421.52	7.38	-74.57
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC(C3CC3)=CS2)C[C@@H]1C(=O)[O-]	REAL300012002922	0	50	0.0	-72.69	403.25	7.77	-64.92
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C(F)(F)F)=NN2)C[C@@H]1C(=O)[O-]	REAL300012002923	0	47	0.0	-86.45	388.47	5.87	-80.58
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3CCOC3=C2)C[C@@H]1C(=O)[O-]	REAL300012002924	0	52	0.0	-75.74	401.72	8.45	-67.29
CSC1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002926	0	51	0.0	-72.53	409.57	9.46	-63.07
CC(C)C1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)N(C)N=C1	REAL300012002927	0	56	0.0	-75.04	430.65	7.91	-67.13
CC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC(C)=N1	REAL300012002928	0	52	0.0	-79.45	403.74	8.05	-71.40
CCCN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=N1	REAL300012002929	0	56	0.0	-76.55	431.36	8.63	-67.92
CCN1C=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002930	0	50	0.0	-69.43	393.76	7.02	-62.41
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=NC=CC=C3O2)C[C@@H]1C(=O)[O-]	REAL300012002931	0	49	0.0	-77.42	391.99	7.17	-70.25
CC1=C(C)OC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002932	1	49	0.0	-72.23	386.46	4.55	-67.68
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(CC3CC3)S2)C[C@@H]1C(=O)[O-]	REAL300012002933	0	54	0.0	-73.47	430.84	10.84	-62.63
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(OC3CC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002934	0	55	0.0	-77.00	426.62	9.59	-67.41
CNC(=O)C1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002935	0	54	0.0	-77.27	425.84	6.72	-70.55
CCNC(=O)C1=CC=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002937	0	57	0.0	-76.88	447.32	7.56	-69.32
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)OC2=CC=C(F)C=C12	REAL300012002938	0	53	0.0	-74.36	422.31	9.79	-64.57
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C3CCC3)=NN2)C[C@@H]1C(=O)[O-]	REAL300012002939	0	54	0.0	-76.48	414.65	7.49	-68.99
CCCN1C=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002940	0	53	0.0	-69.28	415.27	7.78	-61.50
CC(C)N1C=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002941	0	53	0.0	-68.87	412.45	7.54	-61.33
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=CC(C(C)(C)C)=C2)C[C@@H]1C(=O)[O-]	REAL300012002942	0	58	0.0	-74.31	438.95	9.06	-65.25
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(CC(F)(F)F)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002943	0	50	0.0	-73.79	411.64	7.52	-66.27
CN1C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=NC2=C1CCCC2	REAL300012002944	0	57	0.0	-72.49	428.36	9.25	-63.24
COC1=NC(Cl)=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002945	0	50	0.0	-75.91	411.97	5.64	-70.27
CN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C(F)(F)F)=N1	REAL300012002946	0	50	0.0	-76.19	404.28	7.35	-68.84
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C(F)F)=C2F)C[C@@H]1C(=O)[O-]	REAL300012002947	0	50	0.0	-73.69	404.46	9.55	-64.14
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2COCC3)C[C@@H]1C(=O)[O-]	REAL300012002948	0	55	0.0	-73.35	416.16	8.44	-64.91
CCOC1=CC=C(Cl)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002949	0	54	0.0	-68.70	434.21	9.38	-59.32
COC1=NN(C)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002950	0	51	0.0	-73.41	401.58	4.35	-69.06
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC3=C(COCC3)S2)C[C@@H]1C(=O)[O-]	REAL300012002951	1	51	0.0	-74.52	406.82	5.87	-68.65
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=C(CCCC3)O2)C[C@@H]1C(=O)[O-]	REAL300012002952	0	54	0.0	-74.76	409.93	9.42	-65.34
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C[C@@H]1C(=O)[O-]	REAL300012002953	0	49	0.0	-86.62	402.17	9.32	-77.30
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C3CCCCC3)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002954	0	60	0.0	-77.99	450.29	9.64	-68.35
CC1=COC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002955	1	46	0.0	-72.34	365.00	3.93	-68.41
CN(CCO)C1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012002956	0	58	0.0	-75.41	447.13	6.14	-69.27
COC1=CC(C)=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012002957	0	53	0.0	-75.16	409.85	5.90	-69.26
COC1=CC(C)=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1O	REAL300012002958	0	55	0.0	-78.31	420.87	6.36	-71.95
COC1=NC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC=C1C	REAL300012002959	0	53	0.0	-77.48	412.96	5.97	-71.51
CCCN1C=NC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002960	0	53	0.0	-78.19	405.99	9.32	-68.87
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CNC2=O)C[C@@H]1C(=O)[O-]	REAL300012002961	0	47	0.0	-78.78	369.49	5.54	-73.24
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC=CC2=CC=C3OCOC3=C2)C[C@@H]1C(=O)[O-]	REAL300012002962	0	54	0.0	-81.46	422.74	8.53	-72.93
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(CC3CCC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012002963	0	60	0.0	-73.60	456.75	12.12	-61.48
CCC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=NN1CC	REAL300012002964	0	56	0.0	-75.13	420.08	8.37	-66.76
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(F)C=CC(Cl)=C2F)C[C@@H]1C(=O)[O-]	REAL300012002965	1	47	0.0	-68.24	394.34	9.13	-59.11
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C3CC3)=NN2)C[C@@H]1C(=O)[O-]	REAL300012002966	0	51	0.0	-76.67	399.21	7.04	-69.63
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2C2CC2(F)F)C[C@@H]1C(=O)[O-]	REAL300012002967	0	51	0.0	-76.85	413.29	8.07	-68.78
COC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=CS1	REAL300012002968	0	48	0.0	-68.46	390.87	6.87	-61.59
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C(F)(F)F)=CO1	REAL300012002969	0	50	0.0	-76.14	406.81	8.31	-67.83
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C(C)(F)F)=C2)C[C@@H]1C(=O)[O-]	REAL300012002970	0	53	0.0	-75.74	422.55	9.97	-65.77
CN1C=C(C2=NNC=C2C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012002971	0	54	0.0	-77.39	428.21	6.28	-71.11
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C(C)(C)C#N)S2)C[C@@H]1C(=O)[O-]	REAL300012002972	0	53	0.0	-79.48	433.68	7.96	-71.52
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=CC(F)=C2F)C[C@@H]1C(=O)[O-]	REAL300012002973	0	47	0.0	-76.20	385.80	8.74	-67.46
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C(C)(C)C)=NN2)C[C@@H]1C(=O)[O-]	REAL300012002974	0	56	0.0	-80.39	429.37	7.36	-73.03
C=CCC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002975	0	54	0.0	-71.94	412.99	10.50	-61.44
COCC1=CN=C(OC)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012002976	0	57	0.0	-69.07	447.42	5.13	-63.94
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC=CC2=CC=CC=C2)C[C@@H]1C(=O)[O-]	REAL300012002977	0	51	0.0	-75.30	396.69	9.89	-65.41
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=NN2C2CC2)C[C@@H]1C(=O)[O-]	REAL300012002978	0	50	0.0	-81.95	395.85	6.46	-75.49
COCC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012002979	0	54	0.0	-75.05	412.29	8.48	-66.57
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3CCOCC3=C2)C[C@@H]1C(=O)[O-]	REAL300012002980	0	55	0.0	-74.68	423.07	8.53	-66.15
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(CCO)N=C2)C[C@@H]1C(=O)[O-]	REAL300012002981	0	51	0.0	-80.44	401.41	3.90	-76.54
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C[C@@H]1C(=O)[O-]	REAL300012002982	0	53	0.0	-82.74	422.15	6.75	-75.99
COC1=CC=C(F)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1OC	REAL300012002983	0	55	0.0	-69.32	430.21	7.90	-61.42
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC=CC2=CC=NC=C2)C[C@@H]1C(=O)[O-]	REAL300012002984	0	50	0.0	-80.13	391.70	8.12	-72.01
CN1C=CC(C2=NNC=C2C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012002985	0	54	0.0	-70.92	427.85	6.64	-64.28
C=CC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012002986	0	51	0.0	-74.97	397.23	9.72	-65.25
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2C(C)(F)F)C[C@@H]1C(=O)[O-]	REAL300012002987	0	53	0.0	-69.49	406.37	10.13	-59.36
CCN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C2CC2)=N1	REAL300012002988	0	57	0.0	-76.94	442.28	9.46	-67.48
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CON=C2C(C)(C)C)C[C@@H]1C(=O)[O-]	REAL300012002989	0	55	0.0	-79.41	415.02	8.31	-71.10
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CN=CC=C3C=C2)C[C@@H]1C(=O)[O-]	REAL300012002990	0	52	0.0	-79.50	410.35	8.93	-70.57
CC1=CC2=CC=CC(C[NH2+][C@H]3C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)=C2O1	REAL300012002991	0	53	0.0	-71.19	416.78	9.73	-61.46
COC1=CSC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1OC	REAL300012002992	0	52	0.0	-71.85	418.40	6.62	-65.23
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CON=C2C2CCC2)C[C@@H]1C(=O)[O-]	REAL300012002993	0	53	0.0	-77.65	412.23	8.66	-68.99
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(S(C)(=O)=O)=CO2)C[C@@H]1C(=O)[O-]	REAL300012002994	0	50	0.0	-85.50	409.46	4.17	-81.33
CC(C)OC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1F	REAL300012002995	0	57	0.0	-79.26	443.05	9.49	-69.77
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(F)C(Cl)=C2F)C[C@@H]1C(=O)[O-]	REAL300012002997	0	47	0.0	-78.01	393.48	9.19	-68.82
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C(F)F)=C2)C[C@@H]1C(=O)[O-]	REAL300012002998	0	50	0.0	-74.91	403.52	9.38	-65.53
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C[C@@H]1C(=O)[O-]	REAL300012002999	0	53	0.0	-72.28	418.07	10.84	-61.44
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CSC(Cl)=C2)C[C@@H]1C(=O)[O-]	REAL300012003000	0	44	0.0	-75.19	376.38	8.00	-67.19
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=NN1C1CCC1	REAL300012003001	0	57	0.0	-77.41	433.57	9.10	-68.31
CC1=NN(C2CCCC2)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012003002	0	60	0.0	-76.38	457.46	9.51	-66.87
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=NN2CC(F)F)C[C@@H]1C(=O)[O-]	REAL300012003003	0	50	0.0	-75.97	398.38	7.27	-68.70
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(F)C=CN=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012003004	1	46	0.0	-71.35	380.39	7.22	-64.13
CN(C)C1=CN=CC(F)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003005	0	54	0.0	-70.34	419.87	6.72	-63.62
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(C3CCC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012003006	0	54	0.0	-74.31	411.86	8.16	-66.15
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(CC(F)F)C=C2)C[C@@H]1C(=O)[O-]	REAL300012003007	0	50	0.0	-72.70	405.61	7.34	-65.36
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(C3CC3(F)F)C=C2)C[C@@H]1C(=O)[O-]	REAL300012003008	0	51	0.0	-79.90	412.04	8.09	-71.81
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN(C3CCOCC3)N=C2)C[C@@H]1C(=O)[O-]	REAL300012003009	0	58	0.0	-75.57	442.97	7.23	-68.34
CC1=CN(C)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=N1	REAL300012003010	0	50	0.0	-79.16	388.07	7.58	-71.58
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NN(C3CCCC3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012003011	0	57	0.0	-68.59	435.10	8.80	-59.79
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=NC=C(Cl)C=C2Cl)C[C@@H]1C(=O)[O-]	REAL300012003012	1	46	0.0	-67.54	395.21	7.52	-60.02
CC1=NSC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003013	0	46	0.0	-75.81	368.42	6.78	-69.03
CC1=NN(C2CCCC2)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003014	0	60	0.0	-75.83	451.18	9.65	-66.18
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2C(F)F)C[C@@H]1C(=O)[O-]	REAL300012003015	0	50	0.0	-73.56	388.93	9.57	-63.99
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=CNN=C3C=C2)C[C@@H]1C(=O)[O-]	REAL300012003016	0	50	0.0	-80.99	393.80	7.29	-73.70
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(Cl)C(F)=C2F)C[C@@H]1C(=O)[O-]	REAL300012003017	0	47	0.0	-78.12	393.91	9.21	-68.91
CC1=C(F)C=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003018	0	50	0.0	-75.97	386.01	9.28	-66.69
COC1=C(C#N)C=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003019	0	52	0.0	-79.28	415.63	8.44	-70.84
CC1=NC(Cl)=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003020	0	49	0.0	-78.35	394.34	7.80	-70.55
COC1=CC(Cl)=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012003021	0	51	0.0	-74.50	413.78	8.40	-66.10
COC1=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=CC(F)=C1F	REAL300012003022	0	51	0.0	-84.61	409.57	8.01	-76.60
COC1=CC(C)=NC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003023	0	53	0.0	-70.92	414.58	6.65	-64.27
CC(C)N1C=NC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012003024	0	53	0.0	-73.94	409.37	9.17	-64.77
CN1N=CC=C1C1=NNC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003025	0	54	0.0	-78.94	429.50	6.21	-72.73
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C2CC2)=NO1	REAL300012003026	0	53	0.0	-79.93	414.90	8.99	-70.94
COC(=O)C1=C(C)NC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1C	REAL300012003027	0	57	0.0	-83.02	448.53	8.35	-74.67
CC(C)OC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)O1	REAL300012003028	0	54	0.0	-72.91	425.27	8.67	-64.24
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(Cl)C=CC3=C2OCO3)C[C@@H]1C(=O)[O-]	REAL300012003029	0	50	0.0	-65.72	407.62	7.66	-58.06
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC(F)=CC(C#N)=C2)C[C@@H]1C(=O)[O-]	REAL300012003030	0	48	0.0	-87.07	392.89	9.04	-78.03
COC1=CC=CC=C1C=CC[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003031	0	55	0.0	-75.50	428.77	9.10	-66.40
CC1=NN(C2CCC2)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003032	0	57	0.0	-76.33	431.58	8.88	-67.45
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=NN1CC(F)F	REAL300012003033	0	53	0.0	-83.06	421.23	8.06	-75.00
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C[C@@H]1C(=O)[O-]	REAL300012003034	0	55	0.0	-79.75	438.55	8.79	-70.96
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003035	0	54	0.0	-82.71	429.19	7.87	-74.84
COC1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=N1	REAL300012003036	0	53	0.0	-75.91	409.65	5.86	-70.05
CCN(C)C1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C)=C1	REAL300012003037	0	61	0.0	-68.91	455.63	10.52	-58.39
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(Cl)C(Cl)=CS2)C[C@@H]1C(=O)[O-]	REAL300012003038	0	44	0.0	-70.75	387.11	8.61	-62.14
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=NS1	REAL300012003039	0	46	0.0	-75.14	370.29	6.98	-68.16
COC1=CC(C)=CC(OC)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003040	0	58	0.0	-65.35	442.51	7.93	-57.42
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=NO1	REAL300012003041	0	46	0.0	-81.60	362.55	6.79	-74.81
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(CF)C=C2)C[C@@H]1C(=O)[O-]	REAL300012003042	0	50	0.0	-74.14	395.53	9.41	-64.73
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C3SC=CC3=C2)C[C@@H]1C(=O)[O-]	REAL300012003043	0	50	0.0	-78.89	402.80	9.99	-68.90
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012003044	0	56	0.0	-80.32	435.52	10.30	-70.02
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC=C2CO)C[C@@H]1C(=O)[O-]	REAL300012003045	0	51	0.0	-76.93	390.05	6.07	-70.86
CC1=NSC(C)=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003046	0	49	0.0	-75.05	390.10	7.42	-67.63
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=C(C(C)(C)C)ON=C2)C[C@@H]1C(=O)[O-]	REAL300012003047	0	55	0.0	-71.12	410.59	8.61	-62.51
C=CCN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=N1	REAL300012003048	0	51	0.0	-74.90	404.69	7.81	-67.09
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC3=NNC=C3C=C2)C[C@@H]1C(=O)[O-]	REAL300012003049	0	50	0.0	-81.02	392.12	7.33	-73.69
CCC(C)C1=CC=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=C1	REAL300012003050	0	59	0.0	-73.71	444.31	11.19	-62.52
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC(C(C)(F)F)=N2)C[C@@H]1C(=O)[O-]	REAL300012003051	0	52	0.0	-74.76	418.15	8.37	-66.39
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=CC3=C2CCCC3)C[C@@H]1C(=O)[O-]	REAL300012003052	0	57	0.0	-73.54	421.26	10.99	-62.55
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003053	0	54	0.0	-77.29	428.61	10.50	-66.79
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C[C@@H]1C(=O)[O-]	REAL300012003054	0	53	0.0	-86.26	419.92	8.50	-77.76
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C=CC2=CC=CC=C21	REAL300012003055	0	56	0.0	-71.99	424.52	11.31	-60.68
COC1=C2C=CNC2=CC=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003056	0	55	0.0	-70.52	428.48	8.00	-62.52
CC1=NC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C(C)S1	REAL300012003057	0	49	0.0	-67.06	393.44	6.99	-60.07
CCCN1N=CC(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1C	REAL300012003058	0	56	0.0	-77.50	429.58	8.53	-68.97
CC1=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C2=NC=CC=C2C=C1	REAL300012003059	0	55	0.0	-71.22	420.66	9.63	-61.59
COC(=O)C1=CN(C)C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)=C1	REAL300012003060	0	54	0.0	-80.78	427.79	8.74	-72.04
CCCN1N=C(C)C=C1C[NH2+][C@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	REAL300012003061	0	56	0.0	-79.35	428.25	8.41	-70.94
CN1C=C(C[NH2+][C@H]2C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)C(C2CCC2)=N1	REAL300012003062	0	57	0.0	-78.50	438.52	8.96	-69.54
CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CC2=CN=C(C(C)(C)C)O2)C[C@@H]1C(=O)[O-]	REAL300012003063	0	55	0.0	-73.58	428.55	5.94	-67.64
CC1=CC=C(N2C=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012003064	0	54	0.0	-28.28	429.80	10.89	-17.39
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012003065	0	37	0.0	-30.57	319.02	7.65	-22.92
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012003066	0	50	0.0	-33.31	422.97	9.77	-23.54
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003067	0	42	0.0	-29.15	380.04	8.57	-20.58
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003068	0	44	0.0	-28.10	357.34	8.88	-19.22
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012003069	0	39	0.0	-31.33	338.09	6.40	-24.93
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Br)O1	REAL300012003070	0	29	0.0	-23.10	280.35	6.15	-16.95
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003071	0	42	0.0	-30.43	359.55	8.26	-22.17
N#CCCN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012003072	0	46	0.0	-35.87	403.47	9.08	-26.79
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OC(F)F	REAL300012003073	0	40	0.0	-33.14	348.81	6.00	-27.14
CCCOC1=CC=C(Br)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003074	0	42	0.0	-27.77	375.25	8.30	-19.47
CCOC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OC	REAL300012003075	0	43	0.0	-32.05	363.07	6.72	-25.33
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012003076	0	46	0.0	-27.85	391.11	9.89	-17.96
CCCCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003077	0	48	0.0	-29.72	398.31	9.19	-20.53
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012003078	0	41	0.0	-41.39	369.59	9.11	-32.28
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012003079	0	41	0.0	-37.13	369.57	9.11	-28.02
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1Br	REAL300012003080	0	36	0.0	-30.09	332.38	6.56	-23.53
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003081	0	42	0.0	-26.98	350.39	7.51	-19.47
CCCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC	REAL300012003082	0	49	0.0	-30.87	403.91	8.22	-22.65
CCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC	REAL300012003083	0	46	0.0	-31.78	384.56	7.52	-24.26
C=CCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC	REAL300012003084	0	44	0.0	-31.19	373.81	7.22	-23.97
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC	REAL300012003085	0	55	0.0	-31.73	449.06	9.86	-21.87
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012003086	1	39	0.0	-32.36	358.12	8.96	-23.40
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012003087	0	39	0.0	-34.12	358.22	9.00	-25.12
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012003088	0	39	0.0	-25.57	363.79	10.63	-14.94
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012003089	0	42	0.0	-31.08	366.70	8.27	-22.81
CCC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012003090	0	41	0.0	-25.88	345.42	8.47	-17.41
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012003091	0	41	0.0	-42.25	365.49	9.73	-32.52
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012003092	0	38	0.0	-33.36	353.72	7.45	-25.91
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012003093	0	36	0.0	-25.36	324.95	6.38	-18.98
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012003094	0	36	0.0	-31.54	338.86	8.06	-23.48
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012003095	0	39	0.0	-27.36	340.33	4.21	-23.15
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(Cl)=C1	REAL300012003096	0	36	0.0	-26.32	324.65	6.33	-19.99
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012003097	0	36	0.0	-31.26	328.46	6.39	-24.87
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012003098	0	41	0.0	-30.34	375.25	10.78	-19.56
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012003099	0	41	0.0	-27.38	370.77	10.64	-16.74
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012003100	0	39	0.0	-28.00	343.09	6.45	-21.55
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003101	0	42	0.0	-31.46	359.62	7.09	-24.37
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012003102	0	36	0.0	-28.24	313.18	6.12	-22.12
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003103	0	43	0.0	-29.30	368.35	5.75	-23.55
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012003104	0	35	0.0	-28.36	319.37	7.98	-20.38
CCOC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012003105	0	51	0.0	-27.95	408.63	6.69	-21.26
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012003106	0	38	0.0	-30.91	328.51	7.09	-23.82
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])O2)C=C1	REAL300012003107	1	42	0.0	-32.73	364.12	9.16	-23.57
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CSC=N2)C(=O)[O-])O1	REAL300012003108	0	39	0.0	-30.31	333.92	6.80	-23.51
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012003109	0	38	0.0	-28.49	331.45	4.61	-23.88
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012003110	0	45	0.0	-40.36	379.52	5.69	-34.67
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012003111	0	47	0.0	-30.84	388.63	7.13	-23.71
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Cl)S1	REAL300012003112	0	29	0.0	-30.61	289.73	6.32	-24.29
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012003113	0	39	0.0	-26.05	353.47	10.17	-15.88
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012003114	0	37	0.0	-29.67	317.73	7.81	-21.86
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012003115	0	45	0.0	-26.82	378.70	7.97	-18.85
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003116	0	41	0.0	-32.56	351.20	5.53	-27.03
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012003117	0	39	0.0	-28.78	336.26	8.49	-20.29
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012003118	0	38	0.0	-34.75	335.75	9.12	-25.63
CC(C)N1N=CC2=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=C(Cl)N=C21	REAL300012003119	0	43	0.0	-33.61	376.84	7.56	-26.05
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012003120	0	39	0.0	-24.82	362.66	10.59	-14.23
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012003121	0	49	0.0	-34.10	415.70	7.92	-26.18
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012003122	0	39	0.0	-25.61	355.11	10.24	-15.37
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012003123	0	35	0.0	-28.36	331.85	8.05	-20.31
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012003124	0	32	0.0	-26.04	301.58	7.11	-18.93
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012003125	0	32	0.0	-30.50	305.06	7.16	-23.34
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012003126	0	35	0.0	-32.21	323.54	8.38	-23.83
CCOC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003127	0	39	0.0	-28.70	333.82	6.82	-21.88
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012003128	0	32	0.0	-25.51	309.74	7.47	-18.04
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012003129	0	35	0.0	-34.34	315.32	7.66	-26.68
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012003130	0	32	0.0	-33.75	301.47	6.78	-26.97
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012003131	0	35	0.0	-27.48	323.04	8.35	-19.13
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012003132	0	35	0.0	-29.81	323.56	7.56	-22.25
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(Cl)=C1OC	REAL300012003133	0	40	0.0	-27.18	354.96	6.30	-20.88
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012003134	0	35	0.0	-24.31	315.29	8.82	-15.49
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012003135	0	32	0.0	-29.55	302.90	7.09	-22.46
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012003136	0	36	0.0	-29.64	337.09	6.74	-22.90
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012003137	0	39	0.0	-25.39	363.80	10.62	-14.77
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=C2)=C1	REAL300012003138	0	47	0.0	-33.54	411.35	10.99	-22.55
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012003139	0	42	0.0	-34.22	364.17	5.07	-29.15
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012003140	0	43	0.0	-33.27	380.48	7.10	-26.17
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012003141	0	45	0.0	-32.15	386.46	8.04	-24.11
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003142	0	41	0.0	-28.73	345.52	6.15	-22.58
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012003143	0	38	0.0	-28.44	342.75	7.10	-21.34
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012003144	0	42	0.0	-30.46	378.74	9.49	-20.97
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003145	0	41	0.0	-27.32	360.41	6.46	-20.86
COCCOC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003146	0	43	0.0	-31.24	364.20	6.82	-24.42
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1Cl	REAL300012003147	0	36	0.0	-30.28	328.00	6.45	-23.83
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012003148	0	37	0.0	-25.67	338.16	6.21	-19.46
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=N1	REAL300012003150	0	48	0.0	-30.49	397.34	7.25	-23.24
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012003151	0	39	0.0	-30.01	351.24	7.21	-22.80
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012003152	0	38	0.0	-27.53	323.23	5.73	-21.80
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012003153	0	41	0.0	-28.72	340.13	6.54	-22.18
CCCOC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003155	0	42	0.0	-27.62	353.16	7.55	-20.07
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012003156	0	39	0.0	-26.13	345.27	9.91	-16.22
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012003157	0	46	0.0	-28.01	371.99	9.48	-18.53
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003158	0	42	0.0	-28.49	351.74	7.45	-21.04
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012003159	0	45	0.0	-33.63	384.02	9.76	-23.87
CC1=CC=C(C2=NC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CS2)C=C1	REAL300012003160	0	41	0.0	-32.52	367.39	8.02	-24.50
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012003162	0	46	0.0	-29.48	395.30	9.97	-19.51
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012003163	0	42	0.0	-34.76	378.90	6.90	-27.86
CC1=CC=C(OCC2=NC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CS2)C=C1	REAL300012003164	0	45	0.0	-24.72	397.06	8.30	-16.42
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012003166	0	35	0.0	-32.13	337.03	6.28	-25.85
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012003167	0	39	0.0	-25.25	352.16	10.13	-15.12
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003168	0	46	0.0	-33.09	388.89	7.47	-25.62
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012003169	0	46	0.0	-26.73	376.16	8.87	-17.86
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003170	0	49	0.0	-29.64	410.12	7.31	-22.33
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])S2)C=C1	REAL300012003171	0	42	0.0	-24.59	367.14	10.74	-13.85
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012003172	0	38	0.0	-35.26	348.56	6.89	-28.37
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003173	0	36	0.0	-26.29	344.79	7.03	-19.26
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012003174	0	32	0.0	-26.39	316.46	7.66	-18.73
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012003175	0	32	0.0	-24.93	313.32	7.57	-17.36
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012003176	0	43	0.0	-26.29	379.42	10.28	-16.01
CCOC1=C(OC)C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC	REAL300012003177	0	47	0.0	-29.70	391.66	7.34	-22.36
COCCCOC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003178	0	46	0.0	-30.27	388.99	6.69	-23.58
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CN=C1Cl	REAL300012003179	0	34	0.0	-29.56	308.40	6.51	-23.05
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003180	0	40	0.0	-29.56	347.67	5.43	-24.13
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012003181	0	36	0.0	-25.42	328.22	7.27	-18.15
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012003182	0	52	0.0	-30.30	436.73	11.43	-18.87
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012003183	0	45	0.0	-29.37	381.05	8.99	-20.38
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012003184	0	50	0.0	-32.71	424.15	7.88	-24.83
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])S2)C=C1	REAL300012003185	0	41	0.0	-30.63	368.89	8.30	-22.33
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012003186	0	37	0.0	-27.24	334.37	8.33	-18.91
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012003187	0	37	0.0	-27.78	327.95	7.16	-20.62
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012003188	0	37	0.0	-27.52	324.07	7.89	-19.63
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012003189	0	37	0.0	-26.43	334.64	7.46	-18.97
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012003190	0	39	0.0	-34.52	355.88	8.61	-25.91
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])O1	REAL300012003191	0	42	0.0	-32.25	368.26	9.19	-23.06
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])O2)C=C1	REAL300012003192	1	45	0.0	-24.76	382.35	10.66	-14.10
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(OC(F)F)=C1	REAL300012003193	0	40	0.0	-30.46	349.83	5.52	-24.94
COC1=CC=C2OC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CC2=C1	REAL300012003194	0	39	0.0	-33.32	339.82	6.41	-26.91
O=C([O-])C(CC1=CSC=N1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012003195	0	36	0.0	-31.48	328.91	8.38	-23.10
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012003196	0	38	0.0	-26.92	327.72	7.63	-19.29
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012003197	0	35	0.0	-29.26	307.13	7.70	-21.56
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012003198	0	40	0.0	-25.49	344.67	9.04	-16.45
CC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1Br	REAL300012003199	0	35	0.0	-30.11	319.80	7.71	-22.40
O=C([O-])C(CC1=CSC=N1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012003200	0	36	0.0	-31.76	320.86	8.69	-23.07
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1Br	REAL300012003201	0	35	0.0	-25.81	317.40	8.47	-17.34
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012003202	0	39	0.0	-34.14	340.03	7.68	-26.46
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Cl)SC=C1	REAL300012003203	0	29	0.0	-22.50	283.38	6.86	-15.64
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012003204	0	37	0.0	-28.03	334.96	6.94	-21.09
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012003205	0	36	0.0	-33.89	320.85	6.61	-27.28
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012003206	0	36	0.0	-30.74	318.61	6.53	-24.21
CCOC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=N1	REAL300012003207	0	38	0.0	-23.40	326.92	4.87	-18.53
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012003208	0	40	0.0	-28.56	340.46	8.51	-20.05
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1Cl	REAL300012003209	0	35	0.0	-26.65	314.69	8.42	-18.23
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012003210	0	34	0.0	-29.07	311.09	6.81	-22.26
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])O2)C=C1	REAL300012003211	1	51	0.0	-23.98	414.25	11.49	-12.49
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003212	0	52	0.0	-27.59	412.62	9.61	-17.98
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003213	0	52	0.0	-26.17	401.53	8.76	-17.41
CCCC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003214	0	41	0.0	-25.87	343.61	9.54	-16.33
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003215	0	50	0.0	-30.01	415.98	11.33	-18.68
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1F	REAL300012003216	0	46	0.0	-28.82	380.78	7.69	-21.13
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C(SC)C=C1OC	REAL300012003217	0	44	0.0	-28.24	374.66	6.65	-21.59
COC1=CC=C2N=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])SC2=C1	REAL300012003218	0	38	0.0	-28.23	339.55	6.10	-22.13
CN1C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=NC2=CC=C(Cl)C=C21	REAL300012003219	0	38	0.0	-22.71	340.60	8.11	-14.60
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1C#N	REAL300012003220	0	37	0.0	-33.78	330.02	6.23	-27.55
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012003221	0	36	0.0	-32.00	332.28	7.86	-24.14
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003222	0	38	0.0	-27.01	332.14	8.16	-18.85
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012003223	0	36	0.0	-31.84	325.79	6.17	-25.67
CCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])N=C1	REAL300012003224	0	38	0.0	-24.41	325.63	5.69	-18.72
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003225	0	38	0.0	-29.85	336.98	8.17	-21.68
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012003226	0	40	0.0	-32.35	359.01	6.36	-25.99
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OCC(C)C	REAL300012003227	0	49	0.0	-31.51	402.52	8.12	-23.39
CCCOC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OC	REAL300012003228	0	46	0.0	-32.72	384.57	7.52	-25.20
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Br)S1	REAL300012003229	0	29	0.0	-29.56	292.21	6.36	-23.20
CCOC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012003230	0	43	0.0	-29.90	380.87	7.28	-22.62
C=CCOC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003231	0	40	0.0	-28.81	346.73	7.42	-21.39
COC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1OC(C)C	REAL300012003232	0	46	0.0	-26.18	378.50	7.39	-18.79
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC	REAL300012003233	0	43	0.0	-33.19	383.03	7.39	-25.80
CCCOC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=CC=C1OCC	REAL300012003234	0	49	0.0	-25.37	404.30	8.44	-16.93
CCCCOC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OC	REAL300012003235	0	49	0.0	-31.63	403.91	8.22	-23.41
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OCC	REAL300012003236	0	49	0.0	-30.52	426.38	9.11	-21.41
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC(F)F	REAL300012003237	0	40	0.0	-34.80	348.81	6.01	-28.79
CCOC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OC(F)F	REAL300012003238	0	43	0.0	-32.53	372.83	7.00	-25.53
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012003239	0	42	0.0	-30.85	357.64	7.51	-23.34
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-])OC(C)C2	REAL300012003240	0	47	0.0	-27.08	386.22	8.22	-18.86
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC2=C1OCCO2	REAL300012003241	0	42	0.0	-28.75	351.59	6.31	-22.44
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012003242	1	41	0.0	-28.06	373.70	8.75	-19.31
CCCCN1N=C(C)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1Cl	REAL300012003243	0	44	0.0	-25.90	383.27	7.57	-18.33
CCOC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1OC(F)F	REAL300012003244	0	43	0.0	-31.49	371.26	7.19	-24.30
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012003245	0	50	0.0	-31.62	414.54	8.68	-22.94
CC1=CC(C)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1C	REAL300012003246	0	41	0.0	-27.86	335.72	8.40	-19.46
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012003247	0	39	0.0	-24.63	345.75	10.06	-14.57
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC	REAL300012003248	0	46	0.0	-32.63	402.37	8.11	-24.52
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003249	0	54	0.0	-27.51	431.61	10.60	-16.91
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012003250	0	39	0.0	-39.07	356.10	8.63	-30.44
CC(C)(C[NH2+]C(CC1=CSC=N1)C(=O)[O-])C1=CC=CC=C1	REAL300012003251	0	41	0.0	-30.18	329.21	8.24	-21.94
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012003252	0	48	0.0	-28.01	382.74	8.76	-19.25
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003253	0	44	0.0	-31.96	361.48	9.47	-22.49
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003255	0	38	0.0	-21.31	323.73	8.86	-12.45
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CC2=C1	REAL300012003256	0	41	0.0	-24.58	344.08	9.01	-15.57
CCCC1CCC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])CC1	REAL300012003257	0	47	0.0	-29.84	362.72	8.91	-20.93
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012003258	0	39	0.0	-27.41	353.42	6.90	-20.51
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012003259	0	39	0.0	-35.09	338.42	8.98	-26.11
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012003260	0	39	0.0	-35.81	349.79	8.56	-27.25
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012003261	0	38	0.0	-28.50	338.37	6.98	-21.52
CCCCC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012003262	0	47	0.0	-26.41	390.58	10.11	-16.30
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012003263	0	45	0.0	-31.96	384.80	11.95	-20.01
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003264	0	45	0.0	-31.91	382.06	8.65	-23.26
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012003265	0	41	0.0	-32.68	359.20	7.00	-25.68
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003266	0	39	0.0	-26.36	329.86	6.54	-19.82
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1F	REAL300012003267	0	36	0.0	-30.46	316.04	5.90	-24.56
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012003268	0	41	0.0	-36.60	332.04	7.57	-29.03
CC(C)C1CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])CCO1	REAL300012003269	0	45	0.0	-33.12	353.59	6.65	-26.47
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012003270	0	39	0.0	-32.99	357.46	7.29	-25.70
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012003271	0	38	0.0	-38.95	358.89	7.18	-31.77
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012003272	0	38	0.0	-37.56	357.96	6.99	-30.57
CCSC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003273	0	39	0.0	-28.36	344.15	8.45	-19.91
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012003274	1	33	0.0	-32.81	313.64	4.33	-28.48
CCN1N=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C2=CC=CC=C21	REAL300012003275	0	41	0.0	-31.44	352.90	7.34	-24.10
COCCC1(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])CCCCC1	REAL300012003276	0	48	0.0	-27.95	361.13	6.82	-21.13
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012003277	0	29	0.0	-25.68	306.95	7.63	-18.05
CCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003278	0	42	0.0	-28.88	353.16	7.55	-21.33
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012003279	0	39	0.0	-34.38	373.27	9.41	-24.97
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003280	0	45	0.0	-27.95	401.32	9.09	-18.86
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012003281	1	35	0.0	-33.03	310.35	7.12	-25.91
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012003282	1	39	0.0	-25.07	339.47	9.22	-15.85
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OC(C)C	REAL300012003283	0	46	0.0	-31.88	380.99	7.33	-24.55
CCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OCC	REAL300012003284	0	49	0.0	-32.56	406.42	8.44	-24.12
CC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012003285	0	37	0.0	-31.41	324.52	7.72	-23.69
CC(C)OC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003286	0	42	0.0	-29.78	351.74	7.45	-22.33
CCCCCCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003287	0	54	0.0	-29.70	441.31	10.75	-18.95
CC(C[NH2+]C(CC1=CSC=N1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012003288	0	53	0.0	-29.69	414.06	10.93	-18.76
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012003289	0	36	0.0	-24.47	308.66	7.30	-17.17
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Br)C=CS1	REAL300012003290	0	29	0.0	-25.94	292.15	6.23	-19.71
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012003291	0	45	0.0	-26.35	360.96	5.88	-20.47
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012003292	0	32	0.0	-26.40	305.15	7.21	-19.19
CC(C)CC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003293	0	44	0.0	-28.66	363.66	9.28	-19.38
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=C2)C=C1	REAL300012003294	0	45	0.0	-31.12	378.08	10.68	-20.44
COC1=CC=C(Br)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003295	0	36	0.0	-26.62	321.47	6.31	-20.31
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012003296	0	38	0.0	-41.95	335.84	7.26	-34.69
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012003297	0	32	0.0	-29.67	315.92	7.61	-22.06
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012003298	0	32	0.0	-26.60	302.36	7.91	-18.69
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Br)=CO1	REAL300012003299	0	29	0.0	-30.46	284.92	5.37	-25.09
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003300	0	45	0.0	-28.29	375.28	11.41	-16.88
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012003301	0	38	0.0	-27.57	355.69	9.30	-18.27
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012003302	0	36	0.0	-31.26	321.72	6.18	-25.08
CCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OCC	REAL300012003303	0	46	0.0	-31.86	382.77	7.56	-24.30
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012003304	0	32	0.0	-25.79	302.62	7.06	-18.73
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012003305	0	35	0.0	-31.47	331.12	8.74	-22.73
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012003306	0	32	0.0	-25.57	305.15	7.21	-18.36
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012003307	0	36	0.0	-28.27	326.31	6.31	-21.96
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012003308	0	32	0.0	-26.56	302.61	7.05	-19.51
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003309	0	46	0.0	-31.98	390.68	9.66	-22.32
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012003310	1	42	0.0	-35.37	380.43	9.45	-25.92
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012003311	0	32	0.0	-26.26	302.06	7.04	-19.22
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C2=CC=CC=C12	REAL300012003312	0	42	0.0	-26.44	343.13	8.66	-17.78
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012003313	0	39	0.0	-27.82	340.96	6.51	-21.31
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012003313	1	39	0.0	-29.73	339.85	6.52	-23.21
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(Br)=C1O	REAL300012003315	0	37	0.0	-27.10	335.95	4.23	-22.87
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012003316	0	37	0.0	-27.12	313.79	7.13	-19.99
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC(Br)=C1	REAL300012003317	0	29	0.0	-28.46	294.12	6.28	-22.18
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012003318	0	49	0.0	-35.66	417.82	7.99	-27.67
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012003319	0	50	0.0	-34.14	412.69	9.48	-24.66
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012003320	0	42	0.0	-28.84	354.53	9.93	-18.91
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012003321	0	45	0.0	-30.25	384.16	8.04	-22.21
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012003322	0	43	0.0	-25.87	351.82	7.19	-18.68
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012003323	0	36	0.0	-27.37	310.24	7.34	-20.03
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012003324	0	32	0.0	-30.45	309.48	7.27	-23.18
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012003325	0	41	0.0	-25.69	349.62	9.16	-16.53
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012003326	0	41	0.0	-30.58	347.13	8.93	-21.65
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012003327	0	41	0.0	-31.22	349.73	8.17	-23.05
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003328	0	47	0.0	-30.45	373.17	7.03	-23.42
CN1CCN(C2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=C2)CC1	REAL300012003329	1	49	0.0	-30.03	391.68	5.31	-24.72
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012003330	0	41	0.0	-32.79	362.47	5.05	-27.74
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003331	0	39	0.0	-34.98	338.94	4.88	-30.10
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012003332	0	39	0.0	-31.27	343.14	8.56	-22.71
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003333	0	45	0.0	-31.51	392.38	9.10	-22.41
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012003334	0	39	0.0	-30.78	353.46	9.02	-21.76
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003335	0	45	0.0	-30.62	388.60	9.63	-20.99
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012003336	0	51	0.0	-31.21	426.15	9.61	-21.60
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012003337	0	39	0.0	-31.06	351.24	7.21	-23.85
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012003338	0	38	0.0	-27.13	325.33	9.57	-17.56
COC1=C2OC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CC2=CC=C1	REAL300012003339	0	39	0.0	-26.68	336.60	7.14	-19.54
CC(C)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012003340	0	43	0.0	-32.37	367.55	9.10	-23.27
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012003341	0	35	0.0	-28.51	325.28	6.56	-21.95
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003342	0	48	0.0	-29.63	401.27	9.08	-20.55
CCOC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OCC(C)C	REAL300012003343	0	52	0.0	-32.43	426.52	9.12	-23.31
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012003344	0	32	0.0	-26.49	307.17	7.16	-19.33
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012003345	0	32	0.0	-25.76	307.18	7.17	-18.59
COC1=CC(OC)=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003346	0	40	0.0	-30.01	339.31	5.13	-24.88
COC1=CC2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=C2C=C1	REAL300012003347	0	42	0.0	-32.67	357.92	8.14	-24.53
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Br)=CS1	REAL300012003349	0	29	0.0	-28.53	294.16	6.33	-22.20
CCCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OCC	REAL300012003350	0	52	0.0	-31.62	427.92	9.22	-22.40
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003351	0	45	0.0	-32.89	377.80	8.67	-24.22
COC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1OC(F)F	REAL300012003352	0	40	0.0	-29.55	349.45	6.15	-23.40
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012003353	1	36	0.0	-25.27	338.43	7.86	-17.41
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012003354	0	52	0.0	-30.65	419.50	9.81	-20.84
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012003355	0	38	0.0	-41.29	332.82	5.65	-35.64
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012003357	0	32	0.0	-29.39	307.31	7.18	-22.21
CC1=CC=C(COC2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=C2)C=C1	REAL300012003358	0	49	0.0	-31.18	415.14	10.56	-20.62
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012003359	0	47	0.0	-29.42	375.40	7.88	-21.54
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003360	0	51	0.0	-28.46	419.82	9.97	-18.49
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1SC	REAL300012003361	0	40	0.0	-30.71	349.22	6.87	-23.84
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003362	0	43	0.0	-35.35	374.02	8.06	-27.29
CCCCCOC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OC	REAL300012003363	0	52	0.0	-31.60	425.41	9.00	-22.60
CCC(C)OC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OC	REAL300012003364	0	49	0.0	-32.23	401.74	8.13	-24.10
CCCCCCCOC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003365	0	54	0.0	-27.50	439.16	10.67	-16.83
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OCCCC#N	REAL300012003366	0	47	0.0	-37.00	403.26	7.96	-29.04
C=C(C)COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OC	REAL300012003367	0	47	0.0	-31.94	393.23	8.00	-23.94
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OCCC(C)C	REAL300012003368	0	52	0.0	-32.42	423.63	8.82	-23.60
C=CCC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC(OC)=C1O	REAL300012003369	0	44	0.0	-30.65	375.18	5.67	-24.98
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012003370	0	39	0.0	-27.97	337.30	7.21	-20.76
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003371	0	41	0.0	-34.59	360.67	7.55	-27.04
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003372	0	42	0.0	-28.03	378.56	5.07	-22.96
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012003375	0	45	0.0	-34.15	369.66	5.42	-28.73
CN1C=NC2=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CC=C21	REAL300012003376	0	38	0.0	-31.63	328.70	7.87	-23.76
CCN1N=C(C)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1C	REAL300012003377	0	41	0.0	-27.96	344.01	6.17	-21.79
C=CCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1Cl	REAL300012003378	0	40	0.0	-30.19	362.76	7.96	-22.23
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012003379	0	38	0.0	-29.87	345.34	7.54	-22.33
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012003380	0	44	0.0	-26.32	366.74	6.39	-19.93
CC1(C)CC2=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CC=C2O1	REAL300012003381	0	43	0.0	-30.82	359.88	7.85	-22.97
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012003382	0	38	0.0	-24.94	335.88	5.75	-19.19
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012003383	0	35	0.0	-23.85	335.69	7.15	-16.70
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003384	0	42	0.0	-36.38	356.06	7.21	-29.17
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012003385	0	35	0.0	-27.81	334.68	8.82	-18.99
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012003386	0	32	0.0	-25.63	316.48	7.66	-17.97
CC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(Br)=C1	REAL300012003387	0	35	0.0	-24.08	318.01	7.73	-16.35
CC(C)COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003388	0	45	0.0	-28.66	373.27	8.24	-20.42
COCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003389	0	43	0.0	-31.94	367.45	6.10	-25.84
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003390	0	47	0.0	-31.90	409.05	10.22	-21.68
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012003391	0	36	0.0	-32.01	337.75	6.72	-25.29
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012003392	0	40	0.0	-28.67	370.94	8.74	-19.93
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1Cl	REAL300012003393	0	42	0.0	-26.42	372.58	8.08	-18.34
COC1=CC2=C(C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-])OCO2	REAL300012003394	0	39	0.0	-28.49	333.38	5.35	-23.14
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012003395	0	37	0.0	-25.23	310.45	7.53	-17.70
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003396	0	45	0.0	-27.44	373.27	8.24	-19.20
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003397	0	35	0.0	-27.51	311.87	7.65	-19.86
O=C([O-])C(CC1=CSC=N1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012003398	0	36	0.0	-32.23	318.59	7.93	-24.30
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012003399	0	31	0.0	-29.79	297.31	5.37	-24.42
CN1N=NC2=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CC=C21	REAL300012003400	0	37	0.0	-36.95	323.20	5.77	-31.18
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=C2O1	REAL300012003401	0	43	0.0	-29.54	356.47	8.55	-20.99
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012003402	0	37	0.0	-26.97	337.37	6.97	-20.00
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012003403	0	42	0.0	-31.30	361.09	7.70	-23.60
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012003404	0	39	0.0	-35.15	337.58	8.52	-26.63
CC1=C(Br)SC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003405	0	32	0.0	-24.10	310.72	7.76	-16.34
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012003406	0	37	0.0	-26.36	338.70	7.55	-18.81
CC1=NC2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=C2C=C1	REAL300012003407	0	40	0.0	-28.30	340.60	8.26	-20.04
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=C2)C=C1	REAL300012003408	0	47	0.0	-31.43	398.52	8.66	-22.77
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012003409	0	34	0.0	-26.51	300.85	6.50	-20.01
CC1=CC(C2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=C2)=CC(C)=C1	REAL300012003410	0	48	0.0	-30.72	399.48	11.34	-19.38
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012003411	0	41	0.0	-31.17	353.60	10.86	-20.31
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012003412	0	35	0.0	-32.81	316.76	7.19	-25.62
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012003413	0	39	0.0	-32.80	344.68	7.07	-25.73
COCC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003414	0	39	0.0	-27.54	332.96	7.01	-20.53
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003415	0	42	0.0	-30.01	376.26	8.78	-21.23
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012003416	0	46	0.0	-31.04	400.15	9.95	-21.09
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003417	0	45	0.0	-25.77	373.30	8.39	-17.38
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012003418	0	43	0.0	-30.55	381.74	10.66	-19.89
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012003419	0	42	0.0	-27.79	357.29	7.38	-20.41
COC1=CC(C)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC	REAL300012003420	0	43	0.0	-30.80	353.85	6.32	-24.48
CN1C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300012003421	0	38	0.0	-33.52	341.11	8.14	-25.38
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003422	1	38	0.0	-26.13	337.17	5.32	-20.81
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003423	0	41	0.0	-37.73	366.23	6.07	-31.66
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012003424	0	36	0.0	-25.45	326.08	6.18	-19.27
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003425	0	36	0.0	-26.14	339.47	8.13	-18.01
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012003426	0	42	0.0	-36.32	370.97	8.26	-28.06
CC(C)(C)C1CCC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])CC1	REAL300012003428	0	50	0.0	-29.08	360.95	8.54	-20.54
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003429	0	46	0.0	-28.46	384.74	9.38	-19.08
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003430	0	46	0.0	-28.16	382.56	9.29	-18.87
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003431	0	45	0.0	-30.31	377.76	7.53	-22.78
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012003432	0	43	0.0	-30.70	365.50	8.41	-22.29
COC1=CC(Cl)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1Cl	REAL300012003433	0	36	0.0	-27.77	340.67	6.89	-20.88
CC(C)CC1=NC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])S1	REAL300012003434	0	40	0.0	-29.37	350.31	6.77	-22.60
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012003435	0	35	0.0	-30.20	337.21	6.61	-23.59
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012003436	0	35	0.0	-30.43	338.63	6.57	-23.86
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])S2)O1	REAL300012003437	0	38	0.0	-32.63	352.18	6.52	-26.11
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003438	0	35	0.0	-27.52	316.44	7.76	-19.76
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012003439	0	32	0.0	-28.74	316.44	7.59	-21.15
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012003440	0	39	0.0	-33.39	333.25	7.36	-26.03
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012003441	0	41	0.0	-30.03	357.42	8.27	-21.76
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012003442	0	35	0.0	-28.95	326.59	7.55	-21.40
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003443	0	43	0.0	-28.17	363.93	6.07	-22.10
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012003444	0	32	0.0	-24.20	313.34	7.57	-16.63
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003445	0	36	0.0	-29.76	331.72	6.67	-23.09
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012003447	0	39	0.0	-28.83	337.26	7.48	-21.35
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012003448	0	46	0.0	-26.76	390.26	9.29	-17.47
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012003449	0	43	0.0	-26.20	380.66	10.59	-15.61
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012003450	0	47	0.0	-29.65	404.94	7.82	-21.83
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003451	0	51	0.0	-27.67	406.50	10.12	-17.55
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012003452	1	39	0.0	-32.79	347.80	8.51	-24.28
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])S1	REAL300012003453	0	40	0.0	-28.35	347.15	6.30	-22.05
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012003454	0	38	0.0	-27.51	323.73	6.49	-21.02
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012003455	0	32	0.0	-28.50	303.76	7.21	-21.29
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012003456	0	39	0.0	-28.58	338.05	8.54	-20.04
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012003457	0	42	0.0	-28.68	377.88	9.41	-19.27
CC(C)(C)N1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=N1	REAL300012003458	0	41	0.0	-29.81	345.22	6.42	-23.39
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003459	0	39	0.0	-34.25	338.82	5.49	-28.76
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012003460	0	34	0.0	-36.09	306.11	7.96	-28.13
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012003461	0	34	0.0	-35.91	310.68	7.27	-28.64
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012003462	0	38	0.0	-27.75	323.45	8.74	-19.01
CN(C)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003463	0	40	0.0	-29.09	333.66	6.98	-22.11
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003464	0	46	0.0	-28.37	376.27	8.86	-19.51
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012003465	0	32	0.0	-29.43	302.43	7.18	-22.25
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC(OC)=C1OC	REAL300012003466	0	44	0.0	-33.54	374.37	5.72	-27.82
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012003467	0	32	0.0	-27.56	301.82	7.04	-20.52
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012003468	0	36	0.0	-28.88	320.36	6.23	-22.65
COC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1OC	REAL300012003469	0	40	0.0	-28.98	339.63	5.88	-23.10
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012003470	0	32	0.0	-24.69	309.74	7.47	-17.22
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012003471	0	45	0.0	-30.95	366.47	5.43	-25.52
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC	REAL300012003472	0	40	0.0	-32.21	341.21	5.80	-26.41
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(OC)=C1	REAL300012003473	0	40	0.0	-27.93	340.08	5.25	-22.68
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012003474	0	35	0.0	-31.30	321.19	7.60	-23.70
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012003475	0	32	0.0	-26.06	310.35	7.50	-18.56
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012003476	0	32	0.0	-28.90	312.22	7.49	-21.41
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003477	0	53	0.0	-30.06	432.52	11.72	-18.34
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012003478	0	36	0.0	-33.04	321.72	6.18	-26.86
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012003479	0	35	0.0	-33.05	308.89	7.58	-25.47
CCCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003480	0	45	0.0	-28.87	374.66	8.33	-20.54
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003481	0	48	0.0	-28.72	392.23	8.85	-19.87
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003482	0	51	0.0	-29.69	419.81	9.97	-19.72
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012003483	0	43	0.0	-30.67	367.91	10.16	-20.51
CCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(OCCC)=C1	REAL300012003484	0	52	0.0	-25.81	424.63	8.63	-17.18
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003485	0	39	0.0	-29.99	330.13	8.37	-21.62
CCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC	REAL300012003486	0	43	0.0	-31.09	360.91	6.64	-24.45
CC(C)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003487	0	41	0.0	-28.66	342.69	8.53	-20.13
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012003488	0	35	0.0	-29.42	316.63	8.28	-21.14
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(OC)=C1OC	REAL300012003489	0	44	0.0	-28.68	374.41	5.78	-22.90
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012003490	0	50	0.0	-32.39	420.82	9.69	-22.70
CCOC1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003491	0	39	0.0	-26.06	330.31	6.81	-19.25
CCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003492	0	39	0.0	-29.05	331.66	6.75	-22.30
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003493	0	36	0.0	-28.64	331.90	6.57	-22.07
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC(Br)=C1O	REAL300012003494	0	37	0.0	-33.25	343.13	4.37	-28.88
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012003495	0	42	0.0	-29.71	354.52	9.94	-19.77
COC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012003496	0	42	0.0	-27.04	347.32	7.91	-19.13
CSC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003497	0	36	0.0	-29.29	321.36	7.58	-21.71
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012003498	0	32	0.0	-22.96	304.33	8.05	-14.91
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003499	0	44	0.0	-30.53	369.28	5.16	-25.37
CC1=CC(C)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=C1	REAL300012003500	0	41	0.0	-26.52	336.84	8.31	-18.21
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003501	0	42	0.0	-27.04	373.68	8.50	-18.54
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012003502	0	46	0.0	-29.50	389.16	10.57	-18.93
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1Br	REAL300012003503	0	32	0.0	-28.35	294.88	7.13	-21.22
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1O	REAL300012003504	0	37	0.0	-32.23	322.73	3.74	-28.49
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003505	0	35	0.0	-27.47	320.63	5.25	-22.22
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012003506	0	35	0.0	-32.20	322.53	5.69	-26.51
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012003507	0	44	0.0	-27.42	350.67	6.70	-20.72
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1I	REAL300012003508	0	32	0.0	-27.07	297.94	7.47	-19.60
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012003509	0	40	0.0	-31.12	357.43	5.73	-25.39
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012003510	0	49	0.0	-40.79	405.48	9.84	-30.95
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003511	0	44	0.0	-34.69	375.32	8.41	-26.28
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012003512	0	42	0.0	-27.59	357.05	8.18	-19.41
CCOC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1OC	REAL300012003513	0	43	0.0	-25.94	360.95	6.69	-19.25
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OCC(N)=O	REAL300012003514	0	44	0.0	-39.86	377.64	3.68	-36.18
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003515	0	38	0.0	-28.31	338.25	7.43	-20.88
CCNC(=O)COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC	REAL300012003516	0	50	0.0	-39.70	421.06	5.96	-33.74
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC2=C1OCO2	REAL300012003517	0	39	0.0	-29.46	334.80	5.27	-24.19
COC1=CC2=C(C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-])OC(C)C2	REAL300012003519	0	44	0.0	-26.35	363.05	7.25	-19.10
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012003520	0	48	0.0	-37.22	408.39	4.25	-32.97
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012003521	0	44	0.0	-39.83	397.60	4.34	-35.49
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CS1	REAL300012003522	1	41	0.0	-28.97	358.05	7.16	-21.81
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1C	REAL300012003523	0	39	0.0	-27.60	328.80	7.37	-20.23
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003524	0	41	0.0	-28.04	329.68	5.47	-22.57
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003525	0	40	0.0	-29.30	338.78	5.32	-23.98
COC1=CC=C(F)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003526	0	36	0.0	-30.86	316.46	5.93	-24.93
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(I)=C1	REAL300012003527	0	32	0.0	-27.30	308.09	7.61	-19.69
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(I)C=C1	REAL300012003528	0	32	0.0	-29.78	310.24	7.70	-22.08
CSC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])S1	REAL300012003529	0	33	0.0	-29.84	315.98	6.92	-22.92
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012003530	0	42	0.0	-31.69	372.75	7.27	-24.42
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003531	0	45	0.0	-26.15	370.67	10.31	-15.84
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012003532	0	35	0.0	-31.20	305.23	5.98	-25.22
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Cl)C=CS1	REAL300012003533	0	29	0.0	-26.40	287.97	6.14	-20.26
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003534	0	38	0.0	-37.42	343.16	4.12	-33.30
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012003535	0	42	0.0	-30.25	371.24	10.46	-19.79
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003536	0	36	0.0	-29.34	317.00	6.02	-23.32
NC(=O)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003537	0	36	0.0	-34.34	315.68	3.34	-31.00
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1F	REAL300012003538	0	36	0.0	-32.00	316.04	5.89	-26.11
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003539	0	36	0.0	-28.63	327.34	6.46	-22.17
COC(=O)C1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CN1C	REAL300012003540	0	39	0.0	-31.07	339.73	6.71	-24.36
CC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1Cl	REAL300012003541	0	35	0.0	-30.13	315.77	7.63	-22.50
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1C	REAL300012003542	0	39	0.0	-29.76	332.04	6.64	-23.12
N#CC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(F)=C1	REAL300012003543	0	33	0.0	-29.79	306.70	6.93	-22.86
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012003544	0	45	0.0	-31.34	386.50	8.19	-23.15
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012003545	0	31	0.0	-23.39	295.51	6.09	-17.30
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012003546	0	41	0.0	-30.05	353.99	3.83	-26.22
C#CCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003547	0	41	0.0	-31.00	361.10	8.15	-22.85
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012003548	0	35	0.0	-26.30	306.20	7.83	-18.47
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=C12	REAL300012003549	0	40	0.0	-33.18	345.49	7.06	-26.12
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012003550	0	35	0.0	-23.33	315.67	6.55	-16.78
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012003551	0	35	0.0	-34.87	326.16	7.61	-27.26
CCOCC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OC	REAL300012003552	0	46	0.0	-32.40	386.06	6.81	-25.59
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003553	0	36	0.0	-32.28	314.86	3.29	-28.99
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012003554	0	35	0.0	-37.17	319.68	6.09	-31.08
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012003555	0	41	0.0	-26.37	370.12	6.79	-19.58
COC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1F	REAL300012003556	0	36	0.0	-28.12	317.34	5.92	-22.20
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012003557	0	32	0.0	-26.83	304.38	7.08	-19.75
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012003558	0	39	0.0	-29.24	328.01	8.51	-20.73
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC=C1Br	REAL300012003559	0	29	0.0	-24.29	288.65	6.02	-18.27
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003560	0	45	0.0	-25.40	364.00	7.95	-17.45
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012003562	0	32	0.0	-26.62	306.92	8.01	-18.61
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012003563	0	37	0.0	-31.40	321.31	6.99	-24.41
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012003564	0	32	0.0	-25.12	302.30	7.10	-18.02
COC1=CC(F)=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003565	0	36	0.0	-30.69	318.38	5.97	-24.72
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012003566	0	32	0.0	-27.18	308.63	7.23	-19.95
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=N1	REAL300012003567	0	42	0.0	-28.08	350.84	7.28	-20.80
CS(=O)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003568	0	37	0.0	-36.58	333.35	5.15	-31.43
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012003569	0	42	0.0	-28.71	345.16	9.09	-19.62
COC(=O)C1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CN1	REAL300012003570	0	36	0.0	-36.02	320.88	5.76	-30.26
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=C1OC	REAL300012003571	0	43	0.0	-29.41	358.63	6.56	-22.85
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012003572	0	29	0.0	-27.78	298.60	7.28	-20.50
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003573	0	39	0.0	-26.28	329.87	6.54	-19.74
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012003574	0	31	0.0	-31.88	308.53	5.00	-26.88
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003575	0	38	0.0	-35.43	338.59	4.80	-30.63
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=CS1	REAL300012003576	0	29	0.0	-27.77	287.41	6.14	-21.63
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012003577	0	45	0.0	-24.90	361.44	10.48	-14.42
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003578	0	35	0.0	-24.84	317.36	8.49	-16.35
COCC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003579	0	39	0.0	-30.19	336.20	6.29	-23.90
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012003581	0	39	0.0	-29.00	331.68	8.70	-20.30
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NC=C(Cl)S1	REAL300012003582	0	28	0.0	-27.08	279.74	5.05	-22.03
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012003583	0	42	0.0	-27.01	343.42	7.75	-19.26
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003584	0	42	0.0	-27.97	356.31	8.22	-19.75
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012003585	0	35	0.0	-30.78	314.64	7.47	-23.31
COC1=CC(C)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=N1	REAL300012003586	0	41	0.0	-27.99	339.12	4.19	-23.80
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003587	0	36	0.0	-25.03	321.44	7.10	-17.93
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003588	0	42	0.0	-28.25	345.42	7.16	-21.09
CC1=NC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012003589	0	42	0.0	-27.57	359.33	8.80	-18.77
CCCN1N=C(C)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1C	REAL300012003590	0	44	0.0	-31.50	366.63	6.97	-24.53
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012003591	0	37	0.0	-28.03	319.89	6.94	-21.09
COCCN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=N1	REAL300012003592	0	39	0.0	-27.68	337.24	5.04	-22.64
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012003593	0	42	0.0	-25.78	344.98	9.92	-15.86
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012003594	0	42	0.0	-28.40	353.70	8.92	-19.48
CCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1F	REAL300012003595	0	39	0.0	-30.29	337.89	6.82	-23.47
COC1=CC=CC2=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=CC=C12	REAL300012003596	0	42	0.0	-27.98	349.65	8.01	-19.97
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1C#N	REAL300012003597	0	37	0.0	-36.49	332.18	6.31	-30.18
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003598	0	42	0.0	-25.39	354.50	9.16	-16.23
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012003599	0	31	0.0	-27.66	307.81	4.90	-22.76
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1C#N	REAL300012003600	0	36	0.0	-30.61	319.23	8.22	-22.39
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012003601	0	39	0.0	-28.60	341.81	5.59	-23.01
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(Br)=C1	REAL300012003602	0	36	0.0	-25.88	328.23	6.42	-19.46
CC(C)CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=N1	REAL300012003603	0	41	0.0	-33.38	348.14	6.80	-26.58
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012003604	0	39	0.0	-24.71	318.43	9.21	-15.50
CC1=CC(Br)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])S1	REAL300012003605	0	32	0.0	-24.55	310.78	7.78	-16.77
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003606	0	47	0.0	-29.21	390.00	9.23	-19.98
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003607	0	42	0.0	-22.56	364.90	9.91	-12.65
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CC=C21	REAL300012003608	0	43	0.0	-35.26	358.33	7.49	-27.77
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003609	0	39	0.0	-28.71	341.76	6.90	-21.81
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012003610	0	38	0.0	-30.58	364.22	8.14	-22.44
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012003611	0	38	0.0	-32.41	352.00	7.86	-24.55
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003612	0	49	0.0	-28.30	404.43	9.95	-18.35
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012003613	0	43	0.0	-26.85	378.70	8.90	-17.95
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003614	0	41	0.0	-28.67	343.73	6.23	-22.44
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012003615	0	37	0.0	-28.94	333.00	8.24	-20.70
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012003616	0	41	0.0	-29.24	354.38	7.23	-22.01
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012003617	0	38	0.0	-32.43	353.50	7.77	-24.66
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012003618	0	35	0.0	-26.51	317.13	6.96	-19.55
CC(C)C1=NC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])S1	REAL300012003619	0	37	0.0	-28.55	329.28	5.83	-22.72
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012003620	0	35	0.0	-32.76	330.26	5.70	-27.06
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012003621	0	32	0.0	-29.82	318.60	7.67	-22.15
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012003622	0	44	0.0	-30.57	392.06	9.11	-21.46
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=C2)C=N1	REAL300012003623	0	42	0.0	-32.64	360.43	7.82	-24.82
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012003624	0	35	0.0	-28.45	315.24	6.24	-22.21
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012003625	0	43	0.0	-31.44	376.25	9.48	-21.96
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012003626	0	42	0.0	-32.62	367.30	7.79	-24.83
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012003627	0	43	0.0	-34.31	381.93	8.11	-26.20
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])N1	REAL300012003628	0	40	0.0	-36.38	337.39	4.69	-31.69
NC(=O)C1=CSC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003629	0	33	0.0	-33.38	308.81	2.46	-30.92
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=N1	REAL300012003630	0	46	0.0	-28.20	386.27	9.71	-18.49
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003631	0	44	0.0	-28.37	367.34	6.82	-21.55
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012003632	0	38	0.0	-28.42	334.87	6.63	-21.79
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012003633	0	39	0.0	-28.95	341.96	5.49	-23.46
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])N=N1	REAL300012003634	0	41	0.0	-37.51	356.51	7.32	-30.19
CN1N=C(Br)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003635	0	32	0.0	-28.50	302.43	4.58	-23.92
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])S2)C=N1	REAL300012003636	0	39	0.0	-28.43	351.85	7.97	-20.46
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012003637	0	44	0.0	-33.93	361.52	7.48	-26.45
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003638	0	39	0.0	-25.87	349.92	7.48	-18.39
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003639	0	38	0.0	-21.82	314.96	8.47	-13.35
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012003640	0	32	0.0	-23.22	312.13	8.31	-14.91
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012003641	0	32	0.0	-31.95	297.37	4.46	-27.49
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003642	0	43	0.0	-26.99	363.44	7.66	-19.33
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012003643	0	36	0.0	-26.21	329.19	7.21	-19.00
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012003644	0	39	0.0	-30.07	343.94	7.53	-22.54
CC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012003645	0	45	0.0	-32.53	375.39	8.28	-24.25
CC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012003646	0	45	0.0	-28.25	370.11	8.66	-19.59
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012003648	0	42	0.0	-31.92	378.69	8.77	-23.15
CC1=CC(Br)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1Cl	REAL300012003649	0	35	0.0	-25.67	327.46	8.08	-17.59
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012003650	0	42	0.0	-28.29	381.70	8.57	-19.72
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012003652	0	35	0.0	-24.94	311.30	6.65	-18.29
N#CCCN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012003653	0	45	0.0	-36.77	393.95	7.17	-29.60
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012003654	0	38	0.0	-24.64	335.92	10.83	-13.81
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003655	0	42	0.0	-32.11	355.94	7.79	-24.32
COCCCN1N=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003656	0	42	0.0	-28.44	355.35	4.96	-23.48
CC1=CC(F)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(Cl)=C1	REAL300012003657	0	35	0.0	-22.82	317.03	8.33	-14.49
COCCOCC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003658	0	46	0.0	-32.34	391.68	6.52	-25.82
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012003660	0	32	0.0	-24.57	300.19	6.49	-18.08
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012003661	0	38	0.0	-22.80	345.71	9.76	-13.04
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012003662	0	46	0.0	-32.46	405.89	9.01	-23.45
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012003663	0	39	0.0	-28.07	330.36	8.65	-19.42
N#CC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1F	REAL300012003664	0	33	0.0	-34.07	307.06	6.96	-27.11
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012003665	0	35	0.0	-27.94	318.83	6.43	-21.51
CC1=CC(F)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(F)=C1	REAL300012003666	0	35	0.0	-29.02	314.49	7.33	-21.69
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=CSC=N2)C(=O)[O-])O1	REAL300012003667	0	42	0.0	-30.44	357.88	8.15	-22.29
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003668	0	41	0.0	-27.23	340.10	6.69	-20.54
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012003669	0	31	0.0	-22.06	306.15	6.50	-15.56
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CN1	REAL300012003670	0	39	0.0	-34.04	336.79	6.35	-27.69
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])S2)C=C1C	REAL300012003671	0	44	0.0	-30.81	385.86	8.82	-21.99
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003672	0	42	0.0	-32.87	363.94	8.41	-24.46
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003673	0	42	0.0	-32.04	373.81	9.03	-23.01
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003674	0	45	0.0	-30.22	380.95	8.94	-21.28
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003675	0	42	0.0	-33.72	359.08	8.55	-25.17
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003676	0	41	0.0	-26.12	334.22	8.29	-17.83
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012003677	0	39	0.0	-31.98	325.74	5.89	-26.09
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012003678	0	38	0.0	-28.17	329.55	6.96	-21.21
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012003679	0	34	0.0	-26.56	301.83	6.12	-20.44
COC1=CC(OC)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1F	REAL300012003680	0	40	0.0	-30.74	344.18	5.25	-25.49
COC1=CC(F)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC	REAL300012003681	0	40	0.0	-33.21	345.67	5.85	-27.36
CC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(Cl)=C1	REAL300012003682	0	35	0.0	-24.50	314.42	7.63	-16.87
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003683	0	45	0.0	-30.42	380.95	8.93	-21.49
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(F)=C1	REAL300012003684	0	36	0.0	-26.46	315.37	5.83	-20.63
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012003685	0	39	0.0	-25.09	323.43	9.16	-15.93
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003686	0	36	0.0	-25.56	312.70	6.71	-18.85
CCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=C1	REAL300012003687	0	45	0.0	-27.54	367.98	8.16	-19.38
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012003688	0	34	0.0	-25.98	310.02	7.03	-18.95
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012003689	0	35	0.0	-32.38	331.64	7.74	-24.64
CCC1=C2OC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CC2=CC=C1	REAL300012003690	0	41	0.0	-32.30	351.92	8.50	-23.80
C=CCCN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])N=N1	REAL300012003691	0	38	0.0	-25.86	331.75	5.98	-19.88
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012003692	0	39	0.0	-35.78	319.65	6.73	-29.05
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012003693	0	40	0.0	-27.42	346.23	7.52	-19.90
CCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=C1	REAL300012003694	0	42	0.0	-28.63	348.64	7.44	-21.19
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012003695	0	36	0.0	-28.50	324.52	6.23	-22.27
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012003696	0	36	0.0	-29.31	324.60	6.23	-23.08
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012003697	0	45	0.0	-28.37	366.69	9.80	-18.57
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=N1	REAL300012003698	0	42	0.0	-30.20	363.61	5.51	-24.69
COCC1=CSC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003699	0	36	0.0	-29.43	325.83	5.35	-24.08
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012003700	0	38	0.0	-37.41	324.65	5.06	-32.35
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012003701	0	38	0.0	-31.14	364.23	8.14	-23.00
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012003702	0	32	0.0	-29.70	313.09	6.74	-22.96
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012003703	0	32	0.0	-23.76	299.82	6.64	-17.12
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012003704	0	32	0.0	-21.56	295.66	7.49	-14.07
CN(C)C1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=CC(F)=C1F	REAL300012003705	0	40	0.0	-27.94	342.12	6.66	-21.28
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012003706	0	32	0.0	-27.79	303.65	6.94	-20.85
CC(C)OC1=CC(Cl)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1Cl	REAL300012003707	0	42	0.0	-27.21	380.47	8.44	-18.77
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012003708	0	44	0.0	-33.03	367.80	6.24	-26.79
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1F	REAL300012003709	0	40	0.0	-25.19	344.63	6.91	-18.28
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003710	0	46	0.0	-32.05	380.97	9.06	-22.99
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012003711	0	32	0.0	-24.03	295.04	7.45	-16.58
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012003712	0	39	0.0	-28.05	347.45	7.62	-20.43
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC	REAL300012003713	0	44	0.0	-32.89	393.77	7.89	-25.00
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC1CC1	REAL300012003714	0	44	0.0	-28.62	367.68	8.15	-20.47
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003715	0	35	0.0	-29.43	322.09	5.07	-24.36
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003716	0	46	0.0	-31.61	381.90	6.73	-24.88
CCCC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])S1	REAL300012003717	0	38	0.0	-29.27	337.55	8.06	-21.21
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012003718	0	39	0.0	-27.35	345.26	9.90	-17.45
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012003719	0	45	0.0	-27.77	375.16	8.74	-19.03
CC(C)C1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003720	0	41	0.0	-25.15	338.12	9.20	-15.95
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(Cl)=N1	REAL300012003721	0	32	0.0	-34.47	301.88	4.81	-29.66
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012003722	0	39	0.0	-26.99	357.52	7.37	-19.62
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1C(C)(C)C	REAL300012003723	0	48	0.0	-26.91	379.89	9.31	-17.60
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012003724	0	45	0.0	-25.74	370.28	10.84	-14.90
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003725	0	40	0.0	-30.20	355.28	5.82	-24.38
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=NC=C1Br	REAL300012003726	0	34	0.0	-31.92	315.95	5.91	-26.01
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C(Br)C=C1F	REAL300012003727	0	35	0.0	-28.74	321.65	7.82	-20.92
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012003728	0	33	0.0	-26.46	302.52	4.89	-21.57
CN1C=C(C2=NC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CS2)C=N1	REAL300012003729	0	38	0.0	-27.07	348.73	5.91	-21.16
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1Cl	REAL300012003730	0	36	0.0	-30.64	325.85	6.37	-24.27
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012003731	0	42	0.0	-29.21	348.42	6.97	-22.24
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012003732	0	38	0.0	-26.22	338.54	7.22	-19.00
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012003733	0	38	0.0	-29.57	329.43	8.09	-21.48
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(Br)=N1	REAL300012003734	0	32	0.0	-33.51	305.93	4.89	-28.62
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003735	0	39	0.0	-36.69	338.58	5.50	-31.19
CN1N=CC2=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CN=C21	REAL300012003736	0	37	0.0	-32.27	322.20	6.42	-25.85
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012003737	0	31	0.0	-28.69	304.12	5.38	-23.31
COC1=CC(Cl)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC	REAL300012003738	0	40	0.0	-29.76	348.57	6.13	-23.63
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012003739	0	38	0.0	-31.79	343.45	8.38	-23.41
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003740	0	52	0.0	-31.22	427.12	7.77	-23.45
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003741	0	42	0.0	-25.51	341.14	7.25	-18.26
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C(C)N1	REAL300012003742	0	45	0.0	-28.25	380.64	6.91	-21.34
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012003743	0	31	0.0	-33.20	300.06	5.29	-27.91
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012003744	0	42	0.0	-31.69	373.34	10.49	-21.20
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012003745	0	32	0.0	-24.02	310.67	8.04	-15.98
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Br)SC=C1	REAL300012003746	0	29	0.0	-22.25	287.17	6.99	-15.26
CCOC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C(F)C=C1OC	REAL300012003747	0	43	0.0	-32.03	365.37	6.69	-25.34
COC1=NC=C(Br)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003748	0	35	0.0	-27.19	326.28	4.71	-22.48
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012003749	0	38	0.0	-25.94	320.34	9.34	-16.60
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CN=C1Br	REAL300012003750	0	31	0.0	-23.68	289.77	6.02	-17.66
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C(F)C=C1Br	REAL300012003751	0	36	0.0	-31.71	334.71	6.53	-25.18
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012003752	0	32	0.0	-26.00	314.57	7.60	-18.40
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012003753	0	36	0.0	-27.78	333.54	6.52	-21.26
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003754	0	42	0.0	-28.71	356.79	7.57	-21.14
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003755	0	39	0.0	-29.45	338.08	6.81	-22.64
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012003756	0	46	0.0	-36.58	375.23	8.34	-28.24
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012003757	0	36	0.0	-28.97	327.28	6.19	-22.78
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003758	0	45	0.0	-27.59	360.71	7.66	-19.93
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003759	0	35	0.0	-26.37	309.16	7.56	-18.81
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C(F)C=C1C	REAL300012003760	0	39	0.0	-23.48	333.33	7.41	-16.07
CC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=C1Br	REAL300012003761	0	38	0.0	-26.32	331.40	8.21	-18.11
CC1=CC=NC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1Br	REAL300012003762	0	34	0.0	-22.94	306.34	6.44	-16.50
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003763	0	49	0.0	-31.94	404.54	6.84	-25.10
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012003764	0	42	0.0	-30.85	369.60	8.57	-22.28
COCCC1=NC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])S1	REAL300012003766	0	38	0.0	-29.59	342.16	4.30	-25.29
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012003768	1	33	0.0	-27.61	317.47	4.41	-23.20
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012003769	1	33	0.0	-28.14	302.58	3.87	-24.27
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003770	0	40	0.0	-24.59	341.46	6.93	-17.66
CCN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012003771	0	45	0.0	-30.15	378.54	8.46	-21.69
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012003772	0	40	0.0	-27.82	327.91	6.51	-21.31
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1C	REAL300012003773	0	48	0.0	-24.39	375.47	8.38	-16.01
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012003774	0	34	0.0	-38.92	310.23	7.14	-31.78
CC1=C(Br)C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])S1	REAL300012003775	0	32	0.0	-25.50	311.80	7.83	-17.67
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012003776	0	42	0.0	-31.35	373.40	10.52	-20.83
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012003777	0	37	0.0	-30.53	318.57	6.84	-23.69
CCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1C	REAL300012003778	0	45	0.0	-25.79	370.83	9.06	-16.73
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012003779	0	36	0.0	-31.97	316.35	4.93	-27.04
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012003780	0	50	0.0	-33.99	420.41	9.32	-24.67
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012003781	0	46	0.0	-32.47	391.43	8.32	-24.15
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003782	0	39	0.0	-24.78	333.23	7.58	-17.20
CC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003783	0	35	0.0	-33.60	325.38	7.75	-25.85
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012003784	0	37	0.0	-31.13	320.09	7.72	-23.41
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003785	0	40	0.0	-34.93	341.72	8.25	-26.68
COC1=CC=C(CN2C=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])N=N2)C=C1	REAL300012003786	0	45	0.0	-29.20	386.89	6.96	-22.24
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(F)=C1OC	REAL300012003787	0	40	0.0	-29.55	350.51	5.93	-23.62
COC(=O)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(F)=C1	REAL300012003788	0	38	0.0	-29.03	340.65	7.20	-21.83
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012003789	0	42	0.0	-30.64	369.11	6.98	-23.66
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012003790	0	46	0.0	-29.14	389.17	10.55	-18.59
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012003791	0	39	0.0	-30.34	343.93	7.13	-23.21
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003792	0	50	0.0	-29.88	414.65	10.62	-19.26
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003793	0	48	0.0	-27.58	394.72	10.33	-17.25
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003794	0	39	0.0	-30.70	336.12	8.03	-22.67
CCCC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003796	0	41	0.0	-28.30	345.53	8.78	-19.52
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012003797	0	38	0.0	-32.96	364.04	7.91	-25.05
COC1=CC=C(C2=NC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CS2)C=C1	REAL300012003798	0	42	0.0	-33.52	376.75	6.70	-26.82
CC1=C2C=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=NC2=NN1	REAL300012003800	0	37	0.0	-33.13	322.29	5.84	-27.29
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003801	0	40	0.0	-36.39	353.89	3.23	-33.16
CN1N=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C2=CC=CC=C21	REAL300012003802	0	38	0.0	-29.18	327.84	7.20	-21.98
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012003803	0	35	0.0	-28.32	306.11	5.94	-22.38
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012003803	1	35	0.0	-27.03	308.23	5.18	-21.85
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003804	0	32	0.0	-32.76	315.93	5.88	-26.88
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012003805	0	37	0.0	-30.64	318.04	6.80	-23.84
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012003806	0	38	0.0	-27.29	326.59	8.31	-18.98
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003807	0	52	0.0	-25.43	399.68	9.38	-16.05
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012003808	0	38	0.0	-31.31	335.40	5.56	-25.75
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC=C1Cl	REAL300012003809	0	29	0.0	-24.69	285.00	5.92	-18.77
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CSC=N2)C(=O)[O-])S1	REAL300012003810	0	37	0.0	-31.40	332.24	6.46	-24.94
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=CSC=N2)C(=O)[O-])S1	REAL300012003811	0	43	0.0	-30.89	375.54	7.80	-23.09
CCCC(C[NH2+]C(CC1=CSC=N1)C(=O)[O-])C1=CC=CC=C1	REAL300012003812	0	44	0.0	-27.03	356.18	9.93	-17.10
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012003813	0	37	0.0	-27.77	333.03	7.42	-20.35
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012003814	0	32	0.0	-32.21	313.34	6.91	-25.30
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012003815	0	49	0.0	-28.45	416.68	7.45	-21.00
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012003816	0	34	0.0	-27.71	330.86	7.34	-20.37
CN(C)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012003817	0	43	0.0	-33.76	363.49	8.08	-25.68
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003818	0	42	0.0	-31.51	364.20	9.22	-22.29
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003819	0	41	0.0	-25.11	368.13	8.87	-16.24
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012003820	0	51	0.0	-29.88	416.14	9.87	-20.01
CC(C)C1CCC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])CC1	REAL300012003821	0	47	0.0	-29.91	348.05	8.27	-21.64
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012003822	0	35	0.0	-23.37	339.13	8.67	-14.70
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012003823	0	35	0.0	-36.58	329.44	7.68	-28.90
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003824	0	43	0.0	-31.42	365.36	8.71	-22.71
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003825	0	46	0.0	-27.94	376.41	8.88	-19.06
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003826	0	42	0.0	-23.36	350.25	8.08	-15.28
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012003827	0	41	0.0	-28.42	352.11	8.99	-19.43
CN1N=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1Cl	REAL300012003828	0	32	0.0	-27.42	298.93	4.65	-22.77
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012003829	0	34	0.0	-27.46	301.87	4.80	-22.66
COC1=CC=C(N2C=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=N2)C=C1	REAL300012003830	0	43	0.0	-32.07	369.46	7.07	-25.00
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003831	0	47	0.0	-30.14	404.36	10.01	-20.13
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012003832	0	34	0.0	-36.44	321.88	4.57	-31.87
O=C([O-])C(CC1=CSC=N1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012003833	0	39	0.0	-30.76	331.65	8.71	-22.05
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=NC=C1Br	REAL300012003834	0	31	0.0	-23.24	290.03	6.13	-17.11
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])S1	REAL300012003835	0	35	0.0	-37.31	333.39	3.21	-34.10
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012003836	0	52	0.0	-26.62	423.04	10.43	-16.19
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012003837	0	38	0.0	-26.41	331.41	8.01	-18.40
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(F)=C1	REAL300012003838	0	37	0.0	-39.62	339.07	1.52	-38.10
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003840	0	34	0.0	-25.37	306.85	6.58	-18.79
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003841	0	35	0.0	-21.52	314.57	5.85	-15.67
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003842	0	39	0.0	-28.63	331.02	6.16	-22.47
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003843	0	42	0.0	-29.39	349.56	6.75	-22.64
CC1=C2C=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])NC2=CC=C1	REAL300012003844	0	39	0.0	-29.78	333.15	7.11	-22.67
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012003845	0	38	0.0	-31.26	332.50	5.69	-25.57
CC1=CC=C2C=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])NC2=C1	REAL300012003846	0	39	0.0	-29.05	333.57	7.12	-21.93
CCOC1=CN=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003847	0	38	0.0	-28.09	325.51	5.73	-22.36
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012003848	0	43	0.0	-28.79	353.96	5.08	-23.71
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012003849	0	35	0.0	-27.44	303.28	5.96	-21.48
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003850	0	40	0.0	-28.99	317.41	7.66	-21.33
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012003851	0	36	0.0	-31.62	313.83	6.62	-25.00
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012003853	0	34	0.0	-27.74	307.31	6.36	-21.38
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003854	0	41	0.0	-31.87	355.60	7.00	-24.87
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012003855	0	42	0.0	-40.61	354.77	3.96	-36.65
COC1=CN=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1C	REAL300012003856	0	38	0.0	-26.34	316.87	5.40	-20.94
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=C1	REAL300012003857	0	45	0.0	-29.71	370.37	9.64	-20.07
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012003858	0	52	0.0	-31.70	422.49	5.46	-26.24
CC(C)(C)OC(=O)NC(C[NH2+]C(CC1=CSC=N1)C(=O)[O-])CC(F)F	REAL300012003859	0	48	0.0	-28.79	384.50	6.08	-22.71
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012003860	0	42	0.0	-40.07	357.47	4.18	-35.89
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003861	0	40	0.0	-27.99	340.08	6.67	-21.32
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012003862	0	37	0.0	-35.75	326.64	7.77	-27.98
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1C	REAL300012003863	0	45	0.0	-27.34	364.82	10.31	-17.03
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003864	0	37	0.0	-37.38	336.64	1.56	-35.82
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012003865	0	41	0.0	-22.58	332.17	7.83	-14.75
CC1=NN(C)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1Cl	REAL300012003866	0	35	0.0	-23.09	318.30	5.97	-17.12
CN1C=CC(C2=NC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CS2)=N1	REAL300012003867	0	38	0.0	-40.12	350.76	5.02	-35.10
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012003868	0	45	0.0	-29.00	366.70	8.21	-20.79
CC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1Br	REAL300012003869	0	35	0.0	-25.25	316.91	7.71	-17.54
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012003870	0	43	0.0	-26.54	374.35	10.24	-16.30
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012003871	0	40	0.0	-27.19	331.60	7.91	-19.28
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003872	0	42	0.0	-31.38	352.14	6.37	-25.01
CCC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(Cl)=NN1	REAL300012003873	0	35	0.0	-22.30	315.36	5.38	-16.92
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012003874	0	36	0.0	-25.24	326.65	5.47	-19.77
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C2CCCCC2=N1	REAL300012003875	0	44	0.0	-25.71	351.22	8.52	-17.19
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012003876	0	47	0.0	-24.54	370.94	9.31	-15.23
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012003877	0	31	0.0	-36.27	308.11	4.70	-31.57
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012003878	0	35	0.0	-31.21	321.67	7.55	-23.66
COC(=O)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1C	REAL300012003879	0	41	0.0	-29.81	348.74	8.48	-21.33
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=C1	REAL300012003880	0	39	0.0	-28.81	326.79	6.51	-22.30
CC1=C(Cl)C=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1Cl	REAL300012003881	0	35	0.0	-24.56	325.81	7.98	-16.58
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003882	0	33	0.0	-29.89	312.75	7.39	-22.50
CC1CC2=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CC=C2O1	REAL300012003883	0	40	0.0	-30.44	337.34	7.13	-23.31
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012003884	0	35	0.0	-39.44	309.66	4.78	-34.66
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012003885	0	37	0.0	-27.75	318.23	6.40	-21.35
CSCC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003886	0	39	0.0	-30.06	347.26	8.45	-21.61
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012003887	0	42	0.0	-30.21	350.15	8.03	-22.18
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003888	0	40	0.0	-31.10	337.76	4.21	-26.89
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003889	0	39	0.0	-27.08	325.94	6.80	-20.28
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012003890	0	39	0.0	-26.54	324.38	6.97	-19.57
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012003891	0	39	0.0	-32.80	330.63	6.38	-26.42
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003892	0	45	0.0	-30.59	382.60	8.07	-22.52
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003893	0	42	0.0	-31.01	366.97	7.55	-23.46
COC1=CC=C(C)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003894	0	39	0.0	-29.57	324.63	6.42	-23.15
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=C21	REAL300012003895	0	38	0.0	-29.11	312.11	8.48	-20.63
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003896	0	42	0.0	-34.66	353.52	6.45	-28.21
CC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=C1C	REAL300012003897	0	41	0.0	-26.98	329.87	8.24	-18.74
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003898	0	42	0.0	-34.45	360.42	5.72	-28.73
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003899	0	44	0.0	-25.08	327.66	8.38	-16.70
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012003900	0	42	0.0	-27.79	337.16	6.94	-20.85
COC1=CC=C2SC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CC2=C1	REAL300012003901	0	39	0.0	-26.10	344.83	8.11	-17.99
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003902	0	48	0.0	-33.09	391.32	8.26	-24.83
CCN1CCC2=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CC=C21	REAL300012003903	0	44	0.0	-28.94	359.61	7.14	-21.80
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003904	0	45	0.0	-34.52	375.32	7.46	-27.06
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=NN1C(C)C	REAL300012003905	0	41	0.0	-31.82	343.25	6.29	-25.53
CSC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1Cl	REAL300012003906	0	36	0.0	-29.02	335.54	7.99	-21.03
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1C1CC1	REAL300012003907	0	42	0.0	-25.10	344.93	9.90	-15.20
CCOC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=N1	REAL300012003908	0	38	0.0	-33.20	331.41	4.24	-28.96
CC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1C1CC1	REAL300012003909	0	42	0.0	-25.42	345.65	9.95	-15.47
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C(C)=C2)C=C1	REAL300012003910	0	45	0.0	-31.26	375.98	8.84	-22.42
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012003911	0	38	0.0	-31.17	353.67	8.47	-22.70
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003912	0	42	0.0	-29.80	370.67	8.82	-20.98
CCC1=CC(Br)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])S1	REAL300012003913	0	35	0.0	-23.46	330.78	8.51	-14.95
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=C2)C=C1Cl	REAL300012003914	0	42	0.0	-32.11	376.14	9.61	-22.50
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])O2)N1	REAL300012003915	0	39	0.0	-27.62	347.81	6.12	-21.50
COCCOC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])O1	REAL300012003916	0	40	0.0	-26.45	347.14	6.03	-20.42
CC(C)(C[NH2+]C(CC1=CSC=N1)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012003917	0	41	0.0	-31.19	350.50	8.87	-22.32
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003918	0	44	0.0	-27.48	363.76	6.83	-20.65
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012003919	0	32	0.0	-26.09	317.25	8.44	-17.65
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=C1	REAL300012003920	0	48	0.0	-25.09	388.74	10.85	-14.24
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2CC2)=N1	REAL300012003921	0	39	0.0	-29.91	337.34	6.58	-23.33
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003923	0	52	0.0	-32.69	429.04	7.01	-25.68
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003924	0	44	0.0	-32.02	371.31	6.63	-25.39
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012003925	0	49	0.0	-34.68	395.94	8.49	-26.19
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003926	0	39	0.0	-28.12	331.55	6.98	-21.14
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003927	0	42	0.0	-32.69	351.64	9.44	-23.25
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012003928	0	35	0.0	-22.92	340.12	9.12	-13.80
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012003929	0	36	0.0	-30.43	330.15	6.63	-23.80
COC1=NC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1F	REAL300012003931	0	35	0.0	-33.37	310.58	4.04	-29.33
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012003932	0	32	0.0	-24.83	309.26	7.33	-17.50
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012003933	0	32	0.0	-24.06	310.08	8.02	-16.04
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012003934	0	32	0.0	-36.63	299.85	6.55	-30.08
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012003935	0	44	0.0	-24.16	363.17	8.88	-15.28
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012003936	0	41	0.0	-26.54	356.05	7.63	-18.91
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])CC1	REAL300012003937	0	52	0.0	-29.53	401.64	8.31	-21.22
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003938	0	34	0.0	-30.90	313.70	5.89	-25.01
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012003939	0	38	0.0	-32.75	354.20	4.44	-28.31
CC1OC2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=C2C1C	REAL300012003940	0	43	0.0	-27.25	352.62	8.43	-18.82
CC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OC(F)F	REAL300012003941	0	39	0.0	-33.51	341.80	6.92	-26.59
CC1=NC(Cl)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1Br	REAL300012003942	0	34	0.0	-22.62	325.91	7.08	-15.54
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003943	0	44	0.0	-26.27	349.91	8.91	-17.36
CN1N=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012003944	0	38	0.0	-37.34	335.02	1.95	-35.39
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012003945	0	35	0.0	-30.44	318.04	4.37	-26.07
CC(C)CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])N=N1	REAL300012003946	0	40	0.0	-37.53	339.82	5.38	-32.15
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012003948	0	32	0.0	-28.84	298.96	4.62	-24.22
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012003949	0	37	0.0	-29.37	313.75	7.13	-22.24
CN1C=C(Cl)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=N1	REAL300012003950	1	32	0.0	-30.46	301.91	4.80	-25.66
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=CS1	REAL300012003951	0	35	0.0	-39.07	323.06	4.14	-34.93
CSC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003952	0	36	0.0	-28.57	322.68	7.61	-20.96
CC(C)C1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])N(C)N=C1	REAL300012003953	0	41	0.0	-24.37	339.08	6.74	-17.63
CC1=C(Br)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C(C)S1	REAL300012003954	0	35	0.0	-28.08	330.26	7.51	-20.57
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012003955	0	42	0.0	-28.70	354.19	7.48	-21.22
CCCN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=N1	REAL300012003956	0	41	0.0	-28.48	342.69	7.28	-21.20
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012003957	0	34	0.0	-28.43	300.53	6.00	-22.43
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012003958	0	39	0.0	-29.47	347.66	8.85	-20.62
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012003959	0	40	0.0	-30.69	341.69	7.53	-23.16
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012003960	0	36	0.0	-27.17	334.02	6.40	-20.77
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012003961	0	38	0.0	-29.27	349.09	9.16	-20.11
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=C1	REAL300012003962	0	45	0.0	-33.74	377.66	9.61	-24.13
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=C2)C=N1	REAL300012003963	0	45	0.0	-31.93	376.95	10.94	-20.99
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003964	0	39	0.0	-32.22	336.79	4.79	-27.43
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012003965	0	46	0.0	-27.59	375.26	10.55	-17.04
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003967	0	42	0.0	-31.72	358.27	5.63	-26.09
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012003968	0	38	0.0	-31.36	335.84	7.78	-23.58
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012003969	0	39	0.0	-27.89	326.34	6.23	-21.66
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003970	0	42	0.0	-30.08	360.12	7.64	-22.44
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012003971	0	43	0.0	-25.06	349.30	7.78	-17.28
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012003972	0	35	0.0	-25.90	335.72	9.39	-16.51
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012003973	0	35	0.0	-38.07	324.75	5.66	-32.41
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012003974	0	42	0.0	-27.28	355.23	8.64	-18.64
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003976	0	35	0.0	-30.63	321.86	4.53	-26.10
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012003977	0	35	0.0	-27.46	318.75	5.37	-22.09
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012003978	0	35	0.0	-26.94	316.13	7.38	-19.56
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012003979	0	40	0.0	-27.93	327.02	6.50	-21.43
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003980	0	39	0.0	-28.11	349.20	7.39	-20.72
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012003982	0	39	0.0	-34.20	340.45	6.35	-27.85
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012003983	1	39	0.0	-30.10	325.43	7.38	-22.72
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012003984	0	34	0.0	-32.30	312.52	8.02	-24.28
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012003985	0	45	0.0	-32.21	367.12	7.65	-24.56
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012003986	0	39	0.0	-28.13	354.18	8.00	-20.13
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012003987	0	32	0.0	-28.26	314.38	7.27	-20.99
CN(CCO)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=N1	REAL300012003988	0	43	0.0	-27.40	357.47	4.85	-22.55
COC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012003989	0	48	0.0	-25.73	375.94	8.33	-17.40
CN1C=C(Br)N=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012003990	0	32	0.0	-35.38	302.53	5.39	-29.99
COC1=CC(C)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=N1	REAL300012003991	0	38	0.0	-25.75	318.38	4.55	-21.20
COC1=CC(C)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1O	REAL300012003992	0	40	0.0	-31.59	335.91	4.19	-27.40
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012003993	0	38	0.0	-25.79	335.98	6.44	-19.35
CN1C(=O)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012003994	0	41	0.0	-24.96	344.38	8.06	-16.90
COC1=NC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1C	REAL300012003995	0	38	0.0	-24.18	326.52	4.71	-19.47
CC1=CC(C)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=C1Br	REAL300012003996	0	41	0.0	-25.96	351.73	8.74	-17.22
O=C([O-])C(CC1=CSC=N1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012003997	0	39	0.0	-34.13	337.42	6.47	-27.66
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012003998	0	45	0.0	-28.28	372.26	10.08	-18.20
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012003999	0	42	0.0	-32.31	378.66	7.37	-24.94
CCC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=NN1CC	REAL300012004000	0	41	0.0	-31.08	341.83	6.50	-24.58
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012004001	0	32	0.0	-30.78	309.26	7.15	-23.63
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012004002	0	49	0.0	-33.41	404.27	6.84	-26.57
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012004003	0	36	0.0	-31.64	323.52	6.06	-25.58
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012004004	0	35	0.0	-30.16	317.52	7.10	-23.06
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012004005	0	38	0.0	-29.12	332.43	8.85	-20.27
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012004006	0	38	0.0	-29.93	340.83	8.06	-21.87
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=N1	REAL300012004007	0	39	0.0	-36.53	341.87	4.23	-32.30
CCCN1N=C(C)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1Cl	REAL300012004008	0	41	0.0	-26.90	363.92	6.88	-20.02
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])S1	REAL300012004009	0	38	0.0	-33.21	346.98	5.85	-27.36
COC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004010	0	36	0.0	-30.79	334.38	6.50	-24.29
N#CC1=CC(F)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(Br)=C1	REAL300012004011	0	33	0.0	-30.39	326.65	7.50	-22.89
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012004012	0	32	0.0	-32.78	299.67	6.78	-26.00
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012004013	0	39	0.0	-29.75	346.71	8.98	-20.77
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012004014	0	41	0.0	-26.81	341.20	6.15	-20.66
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012004015	0	38	0.0	-28.09	340.15	9.24	-18.85
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012004016	0	32	0.0	-23.45	319.20	8.44	-15.01
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012004017	0	49	0.0	-26.61	392.02	9.43	-17.18
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012004018	0	43	0.0	-30.91	386.57	9.91	-21.00
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004019	0	39	0.0	-27.55	329.60	8.46	-19.09
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012004020	0	52	0.0	-26.39	410.45	10.02	-16.37
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=C2)=C1	REAL300012004021	0	47	0.0	-33.67	399.34	8.70	-24.97
CCN1CCCC2=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=CC=C21	REAL300012004022	0	47	0.0	-26.07	368.44	8.47	-17.60
COCC1=CN=C(OC)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012004023	0	42	0.0	-25.26	359.11	3.86	-21.40
CN1N=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1Br	REAL300012004024	0	32	0.0	-26.99	303.04	4.73	-22.26
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012004025	0	47	0.0	-34.91	401.37	9.37	-25.54
COC1=C(Br)C=CC(F)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004026	0	36	0.0	-26.81	335.48	6.57	-20.24
COCC1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004027	0	39	0.0	-27.15	326.79	6.35	-20.80
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012004028	0	45	0.0	-24.95	387.56	12.00	-12.95
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012004029	0	36	0.0	-29.58	338.87	8.05	-21.53
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012004030	0	45	0.0	-29.41	372.42	8.00	-21.41
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012004031	0	40	0.0	-26.40	331.61	7.37	-19.03
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012004032	0	38	0.0	-23.74	338.18	9.43	-14.31
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012004033	0	38	0.0	-31.31	333.84	5.49	-25.82
COC1=CC=C(F)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1OC	REAL300012004034	0	40	0.0	-27.49	344.62	5.79	-21.70
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=N1	REAL300012004035	0	39	0.0	-31.11	333.02	5.52	-25.59
CC1=CC=C(F)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1Br	REAL300012004036	0	35	0.0	-27.12	321.91	7.60	-19.52
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012004037	0	55	0.0	-25.86	432.49	10.81	-15.05
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012004038	0	46	0.0	-28.40	382.06	8.95	-19.45
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004039	0	38	0.0	-33.34	320.86	8.03	-25.31
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OCCO	REAL300012004040	0	44	0.0	-35.80	374.44	3.63	-32.17
CCN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2CC2)=N1	REAL300012004041	0	42	0.0	-29.42	358.88	7.44	-21.98
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1OCCO	REAL300012004042	0	44	0.0	-36.03	374.44	3.63	-32.40
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012004043	0	42	0.0	-33.45	362.27	6.25	-27.20
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004044	0	40	0.0	-26.35	318.81	6.88	-19.47
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012004045	0	37	0.0	-32.89	323.46	7.07	-25.82
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012004046	0	51	0.0	-35.02	417.99	7.15	-27.87
CC1=CC2=CC=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=C2O1	REAL300012004047	0	38	0.0	-29.96	327.14	8.43	-21.53
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012004048	0	35	0.0	-38.13	316.32	7.68	-30.45
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012004049	0	39	0.0	-29.46	352.80	8.05	-21.41
COC1=CSC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1OC	REAL300012004050	0	37	0.0	-27.62	329.47	4.65	-22.97
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CON=C1C1CCC1	REAL300012004051	0	38	0.0	-29.06	325.01	6.60	-22.46
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012004052	0	41	0.0	-30.43	376.55	9.07	-21.36
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012004053	0	35	0.0	-26.03	322.00	6.43	-19.60
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])SC=C1	REAL300012004054	0	35	0.0	-28.99	322.44	3.14	-25.85
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012004055	0	35	0.0	-36.95	324.13	2.11	-34.84
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012004056	0	35	0.0	-26.80	324.61	7.54	-19.26
CC(C)OC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1F	REAL300012004057	0	42	0.0	-30.98	357.99	7.52	-23.46
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012004059	0	32	0.0	-23.28	304.49	7.88	-15.40
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012004060	0	35	0.0	-28.10	310.08	8.14	-19.96
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012004061	0	38	0.0	-30.09	328.42	9.54	-20.55
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012004062	0	35	0.0	-34.50	332.54	3.12	-31.38
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CSC(Cl)=C1	REAL300012004063	0	29	0.0	-28.47	289.49	6.16	-22.31
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=NN1C1CCC1	REAL300012004064	0	42	0.0	-32.54	350.17	7.07	-25.47
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012004065	0	39	0.0	-31.56	355.87	8.25	-23.31
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012004066	0	45	0.0	-27.14	365.38	8.32	-18.82
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012004067	0	35	0.0	-32.29	317.87	5.33	-26.96
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012004068	0	40	0.0	-27.35	358.37	8.93	-18.42
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004069	0	42	0.0	-33.43	363.15	7.25	-26.18
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012004070	0	35	0.0	-36.40	321.87	7.97	-28.43
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012004071	0	32	0.0	-28.03	321.21	7.60	-20.43
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012004072	0	31	0.0	-28.07	293.02	5.06	-23.01
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012004073	0	39	0.0	-31.95	345.55	7.80	-24.15
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004074	0	39	0.0	-23.31	333.06	5.43	-17.88
COC1=NC(C)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=C1Cl	REAL300012004075	0	41	0.0	-26.47	350.63	5.47	-21.00
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012004077	0	39	0.0	-31.95	329.37	6.24	-25.71
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012004078	0	35	0.0	-27.05	314.15	6.19	-20.86
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012004079	0	36	0.0	-28.00	325.14	6.76	-21.24
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004080	0	48	0.0	-28.70	386.77	8.22	-20.48
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012004081	0	43	0.0	-33.09	357.88	5.24	-27.85
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004082	0	46	0.0	-30.44	378.30	5.77	-24.67
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012004083	0	37	0.0	-27.03	338.92	8.42	-18.61
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012004084	0	42	0.0	-23.57	343.67	7.64	-15.93
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012004085	0	34	0.0	-33.53	325.03	1.33	-32.20
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012004086	0	31	0.0	-27.31	306.99	5.63	-21.68
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012004087	0	47	0.0	-35.40	384.04	6.79	-28.61
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004088	0	45	0.0	-28.74	367.80	7.61	-21.13
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012004089	0	35	0.0	-30.68	303.28	7.45	-23.23
CC1=CC(Br)=C(F)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012004090	0	35	0.0	-31.88	326.83	7.83	-24.05
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012004091	0	32	0.0	-22.59	318.03	8.40	-14.19
COC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1Br	REAL300012004092	0	36	0.0	-25.41	325.20	6.41	-19.00
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012004093	0	35	0.0	-32.93	306.56	5.23	-27.70
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012004094	0	32	0.0	-24.12	306.25	7.93	-16.19
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])=C2)C=N1	REAL300012004095	0	42	0.0	-31.51	358.02	8.57	-22.94
COC1=CC(F)=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1Br	REAL300012004096	0	36	0.0	-28.82	337.93	6.58	-22.24
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012004097	0	42	0.0	-34.05	364.47	9.69	-24.36
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004098	0	35	0.0	-22.52	310.32	8.39	-14.13
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004099	0	37	0.0	-30.17	332.17	6.40	-23.77
COC1=NC2=CC=C(C[NH2+]C(CC3=CSC=N3)C(=O)[O-])C=C2S1	REAL300012004100	0	38	0.0	-28.64	343.63	5.14	-23.50
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012004101	0	31	0.0	-30.00	296.66	5.25	-24.75
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012004102	0	32	0.0	-28.04	311.50	7.46	-20.58
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004103	0	34	0.0	-28.29	302.74	6.46	-21.83
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012004104	0	48	0.0	-28.22	394.26	8.93	-19.29
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012004105	0	32	0.0	-31.20	324.45	7.76	-23.44
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012004106	0	36	0.0	-30.05	328.70	6.41	-23.64
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012004107	0	35	0.0	-27.12	331.91	7.87	-19.25
COC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CC(F)=C1F	REAL300012004108	0	36	0.0	-35.70	324.48	6.03	-29.67
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004109	0	38	0.0	-26.85	323.15	5.49	-21.36
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004110	0	39	0.0	-34.07	340.04	4.95	-29.12
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2CC2)=NO1	REAL300012004111	0	38	0.0	-30.53	330.40	6.96	-23.57
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1C	REAL300012004112	0	42	0.0	-31.91	366.15	6.27	-25.64
CC(C)OC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])O1	REAL300012004113	0	39	0.0	-24.73	335.13	7.55	-17.18
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004114	0	38	0.0	-26.98	336.73	8.26	-18.72
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012004115	0	33	0.0	-28.99	310.61	4.16	-24.83
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012004116	0	35	0.0	-26.37	317.98	6.34	-20.03
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012004117	0	33	0.0	-31.16	306.49	7.78	-23.38
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012004118	0	48	0.0	-28.61	384.32	10.41	-18.20
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004119	0	40	0.0	-31.40	341.88	7.24	-24.16
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])SC(Br)=C1	REAL300012004120	0	32	0.0	-22.04	306.01	7.64	-14.40
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004121	0	42	0.0	-28.34	348.13	6.89	-21.45
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=NN1CC(F)F	REAL300012004122	0	38	0.0	-27.45	331.52	6.67	-20.78
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012004123	0	40	0.0	-30.38	348.41	7.67	-22.71
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004124	0	41	0.0	-21.37	359.31	7.52	-13.85
CC(C)N1C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300012004125	0	44	0.0	-26.03	380.38	8.69	-17.34
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004126	0	39	0.0	-30.06	343.34	5.77	-24.29
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012004127	0	45	0.0	-30.61	385.26	11.06	-19.55
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012004128	0	48	0.0	-33.83	402.13	7.85	-25.98
COC1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=N1	REAL300012004129	0	38	0.0	-26.40	316.34	4.44	-21.96
CCN(C)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C)=C1	REAL300012004130	0	46	0.0	-28.17	370.32	8.55	-19.62
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012004131	0	31	0.0	-21.88	305.18	6.47	-15.41
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012004132	0	29	0.0	-25.43	301.77	6.55	-18.88
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004133	0	53	0.0	-26.97	412.35	8.80	-18.17
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004134	0	43	0.0	-28.30	358.85	5.93	-22.37
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012004135	0	36	0.0	-29.61	342.34	6.87	-22.74
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012004136	0	42	0.0	-32.31	371.04	9.42	-22.89
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012004137	0	35	0.0	-27.43	316.14	8.69	-18.74
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012004138	0	41	0.0	-32.98	351.88	8.26	-24.72
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012004139	0	54	0.0	-28.03	439.18	11.43	-16.60
CC(C)(C)C1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=NO1	REAL300012004140	0	40	0.0	-23.09	318.98	7.20	-15.89
CC1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1C(F)(F)F	REAL300012004141	0	38	0.0	-33.75	325.22	8.12	-25.63
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012004142	0	35	0.0	-32.84	308.72	5.30	-27.54
CCC(C)C1=CC=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012004143	0	44	0.0	-27.69	358.98	9.11	-18.58
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012004144	0	34	0.0	-32.67	326.41	5.91	-26.76
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012004145	0	37	0.0	-28.59	345.37	6.88	-21.71
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012004146	0	39	0.0	-33.27	342.34	5.23	-28.04
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012004147	0	35	0.0	-24.63	336.55	9.43	-15.20
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=N1	REAL300012004149	0	37	0.0	-34.00	331.57	6.54	-27.46
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012004150	0	32	0.0	-32.15	314.56	7.33	-24.82
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012004151	0	32	0.0	-26.54	322.00	7.61	-18.93
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012004152	0	42	0.0	-27.58	337.81	8.95	-18.63
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012004153	0	34	0.0	-31.61	327.41	8.57	-23.04
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004154	0	39	0.0	-26.63	338.40	9.19	-17.44
COC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=CC(Br)=C1F	REAL300012004155	0	36	0.0	-26.51	336.69	6.57	-19.94
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012004156	0	35	0.0	-27.32	323.79	7.53	-19.79
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012004157	0	38	0.0	-37.17	331.59	7.24	-29.93
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012004158	0	41	0.0	-24.61	331.12	9.90	-14.71
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004159	0	50	0.0	-27.52	405.50	8.16	-19.36
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012004160	0	38	0.0	-31.56	344.87	9.29	-22.27
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004161	0	40	0.0	-29.01	340.17	6.75	-22.26
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012004162	0	45	0.0	-26.80	365.50	4.29	-22.51
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004163	0	44	0.0	-28.64	367.44	5.12	-23.52
CCCN1N=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1C	REAL300012004164	0	41	0.0	-32.79	347.14	6.45	-26.34
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012004165	0	49	0.0	-35.99	388.95	9.50	-26.49
O=C([O-])C(CC1=CSC=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012004166	0	46	0.0	-26.04	389.47	9.83	-16.21
CC1=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012004167	0	40	0.0	-24.07	331.52	8.31	-15.76
CC1=CC(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012004168	0	41	0.0	-34.15	354.03	7.92	-26.23
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1	REAL300012004169	0	39	0.0	-31.76	344.39	6.72	-25.04
COC1=CC=C(Br)C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])=C1O	REAL300012004170	0	37	0.0	-27.92	339.46	4.27	-23.65
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CSC=N1)C(=O)[O-]	REAL300012004171	0	41	0.0	-27.01	341.25	6.37	-20.64
CN1C=C(C[NH2+]C(CC2=CSC=N2)C(=O)[O-])C(C2CCC2)=N1	REAL300012004172	0	42	0.0	-28.19	347.35	7.65	-20.54
CC1=CC=C(N2C=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012004174	0	53	0.0	-27.42	420.82	9.70	-17.72
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012004175	0	36	0.0	-31.02	313.64	6.38	-24.64
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012004176	0	49	0.0	-30.37	411.69	9.16	-21.21
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004177	0	41	0.0	-23.44	370.93	8.04	-15.40
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004178	0	43	0.0	-28.94	351.89	7.82	-21.12
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012004179	0	38	0.0	-31.02	330.77	5.29	-25.73
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012004180	0	28	0.0	-23.47	273.63	4.85	-18.62
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004181	0	41	0.0	-30.89	352.78	7.16	-23.73
N#CCCN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012004182	0	45	0.0	-35.71	396.72	7.97	-27.74
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012004183	0	39	0.0	-29.54	341.00	5.51	-24.03
CCOC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OC	REAL300012004184	0	42	0.0	-28.96	351.78	6.10	-22.86
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012004185	0	45	0.0	-26.80	381.46	8.69	-18.11
CCCCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004186	0	47	0.0	-26.36	387.04	8.57	-17.79
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012004187	0	40	0.0	-30.81	360.95	8.59	-22.22
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012004188	0	40	0.0	-29.44	359.61	8.55	-20.89
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1Br	REAL300012004189	0	35	0.0	-29.42	321.11	5.95	-23.47
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004190	0	41	0.0	-25.84	342.24	6.37	-19.47
CCCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC	REAL300012004191	0	48	0.0	-28.81	394.80	7.68	-21.13
CCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC	REAL300012004192	0	45	0.0	-29.46	374.60	6.95	-22.51
C=CCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC	REAL300012004193	0	43	0.0	-29.15	364.68	6.69	-22.46
CCCCCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC	REAL300012004194	0	54	0.0	-28.70	437.79	9.25	-19.45
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012004195	0	38	0.0	-24.84	348.15	8.39	-16.45
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012004196	0	38	0.0	-25.31	348.26	8.43	-16.88
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012004197	0	38	0.0	-31.75	360.27	8.79	-22.96
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012004198	0	41	0.0	-31.26	355.43	7.65	-23.61
CCC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012004199	0	40	0.0	-26.25	333.46	8.02	-18.23
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012004200	0	40	0.0	-31.22	355.52	9.16	-22.06
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012004201	0	37	0.0	-24.50	343.75	6.88	-17.62
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012004202	0	35	0.0	-26.68	320.27	5.35	-21.33
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012004203	0	35	0.0	-31.85	332.09	6.96	-24.89
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012004204	0	38	0.0	-34.33	327.42	3.87	-30.46
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(Cl)=C1	REAL300012004205	0	35	0.0	-26.17	316.54	5.19	-20.98
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012004206	0	35	0.0	-31.15	320.37	5.25	-25.90
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012004207	0	40	0.0	-35.79	369.57	8.87	-26.92
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012004208	0	40	0.0	-27.87	364.06	9.34	-18.53
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012004209	0	38	0.0	-32.67	337.88	5.38	-27.29
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004210	0	41	0.0	-31.37	352.86	5.99	-25.38
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012004211	0	35	0.0	-28.34	307.64	4.86	-23.48
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004212	0	42	0.0	-29.04	359.38	4.57	-24.47
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012004213	0	34	0.0	-28.61	312.59	6.87	-21.74
CCOC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012004214	0	50	0.0	-26.16	407.18	6.55	-19.61
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012004215	0	37	0.0	-26.49	317.24	6.48	-20.01
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])O2)C=C1	REAL300012004216	0	41	0.0	-25.23	354.15	8.59	-16.64
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=NSN=C2)C(=O)[O-])O1	REAL300012004217	0	38	0.0	-34.09	338.82	4.45	-29.64
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012004218	0	37	0.0	-30.03	325.67	3.55	-26.48
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012004219	0	44	0.0	-40.83	372.40	4.60	-36.23
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012004220	0	46	0.0	-29.16	379.51	6.59	-22.57
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012004221	0	28	0.0	-30.85	282.95	5.22	-25.63
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012004222	0	38	0.0	-31.28	347.79	8.27	-23.01
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012004223	0	36	0.0	-27.69	315.47	6.02	-21.67
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012004224	0	44	0.0	-28.34	377.39	7.10	-21.24
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004225	0	40	0.0	-33.69	346.59	4.49	-29.20
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012004226	0	38	0.0	-29.60	330.87	7.23	-22.37
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012004227	0	37	0.0	-34.97	327.65	7.98	-26.99
CC(C)N1N=CC2=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=C(Cl)N=C21	REAL300012004228	0	42	0.0	-34.83	373.25	6.58	-28.25
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012004229	0	38	0.0	-24.73	355.95	9.29	-15.44
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012004230	0	38	0.0	-25.48	348.40	8.94	-16.54
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012004231	0	34	0.0	-27.66	321.91	6.83	-20.83
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012004232	0	31	0.0	-26.61	294.81	6.01	-20.60
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012004233	0	31	0.0	-29.85	295.10	6.59	-23.26
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012004234	0	34	0.0	-31.20	315.52	7.04	-24.16
CCOC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004235	0	38	0.0	-27.67	322.55	6.21	-21.46
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012004236	0	31	0.0	-26.61	305.12	6.45	-20.16
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012004237	0	34	0.0	-35.25	309.37	6.59	-28.66
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012004238	0	31	0.0	-34.66	294.70	5.68	-28.98
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012004239	0	34	0.0	-27.51	316.32	7.05	-20.46
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012004240	0	34	0.0	-31.19	319.26	6.56	-24.63
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(Cl)=C1OC	REAL300012004241	0	39	0.0	-30.98	346.16	5.79	-25.19
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012004242	0	34	0.0	-24.26	308.58	7.52	-16.74
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012004243	0	31	0.0	-29.30	293.78	6.56	-22.74
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012004244	0	35	0.0	-26.04	327.14	6.18	-19.86
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012004245	0	38	0.0	-31.81	358.12	8.71	-23.10
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=C2)=C1	REAL300012004246	0	46	0.0	-32.38	403.32	9.65	-22.73
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012004247	0	41	0.0	-41.07	354.54	4.09	-36.98
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012004248	0	42	0.0	-32.75	372.67	6.61	-26.14
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012004249	0	44	0.0	-30.93	378.66	7.55	-23.38
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004250	0	40	0.0	-29.85	340.89	5.13	-24.72
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012004251	0	41	0.0	-30.01	370.72	8.15	-21.86
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004252	0	40	0.0	-23.72	352.62	5.97	-17.75
COCCOC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004253	0	42	0.0	-30.09	356.18	5.48	-24.61
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1Cl	REAL300012004254	0	35	0.0	-29.48	316.72	5.84	-23.64
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012004255	0	36	0.0	-38.28	335.95	4.42	-33.86
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=N1	REAL300012004257	0	47	0.0	-30.87	390.63	5.96	-24.91
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012004258	0	38	0.0	-30.42	342.12	6.68	-23.74
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012004259	0	37	0.0	-28.48	318.62	4.70	-23.78
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012004260	0	40	0.0	-26.74	335.14	5.41	-21.33
CCCOC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004262	0	41	0.0	-27.48	344.05	7.01	-20.47
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012004263	0	38	0.0	-29.93	340.41	8.04	-21.89
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012004264	0	45	0.0	-28.10	367.24	8.25	-19.85
CC(C)OC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004265	0	41	0.0	-27.64	340.48	6.83	-20.81
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012004266	0	44	0.0	-35.18	383.74	7.35	-27.83
CC1=CC=C(C2=NC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CS2)C=C1	REAL300012004267	0	40	0.0	-23.89	358.75	7.49	-16.40
CC(C)C1=NC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CS1	REAL300012004268	0	36	0.0	-23.18	320.27	5.06	-18.12
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012004269	0	45	0.0	-28.06	386.18	9.43	-18.63
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012004270	0	41	0.0	-24.44	367.61	6.29	-18.15
CC1=CC=C(OCC2=NC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CS2)C=C1	REAL300012004271	0	44	0.0	-34.66	393.53	6.47	-28.19
CC(C)(C)C1=NC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CS1	REAL300012004272	0	39	0.0	-22.37	337.88	5.53	-16.84
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012004273	0	34	0.0	-22.95	327.06	5.71	-17.24
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012004274	0	38	0.0	-32.67	347.80	8.27	-24.40
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004275	0	45	0.0	-31.78	380.61	6.30	-25.48
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012004276	0	45	0.0	-26.40	369.40	7.77	-18.63
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])S2)C=C1	REAL300012004277	0	41	0.0	-31.38	364.94	8.95	-22.43
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012004278	0	37	0.0	-27.94	337.29	6.29	-21.65
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004279	0	35	0.0	-26.30	336.61	5.88	-20.42
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012004280	0	31	0.0	-25.62	307.53	6.48	-19.14
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012004281	0	31	0.0	-26.00	308.71	6.55	-19.45
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012004282	0	42	0.0	-26.91	374.03	9.02	-17.89
CCOC1=C(OC)C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC	REAL300012004283	0	46	0.0	-34.08	389.45	5.55	-28.53
COCCCOC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004284	0	45	0.0	-29.50	377.72	6.08	-23.42
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CN=C1Cl	REAL300012004285	0	33	0.0	-30.16	303.02	5.26	-24.90
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004286	0	39	0.0	-26.68	339.88	4.95	-21.73
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012004287	0	35	0.0	-26.58	326.34	5.50	-21.08
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012004288	0	51	0.0	-29.94	426.78	10.86	-19.08
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012004289	0	44	0.0	-29.94	375.67	7.73	-22.21
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012004290	0	49	0.0	-32.34	417.32	6.77	-25.57
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])S2)C=C1	REAL300012004291	0	40	0.0	-30.27	359.96	7.12	-23.15
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012004292	0	36	0.0	-28.01	332.17	6.53	-21.48
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012004293	0	36	0.0	-27.86	321.18	6.05	-21.81
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012004294	0	36	0.0	-27.55	319.71	6.01	-21.54
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012004295	0	36	0.0	-26.47	327.87	6.36	-20.11
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012004296	0	38	0.0	-26.76	345.92	8.04	-18.72
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])O1	REAL300012004297	0	41	0.0	-32.97	362.89	8.13	-24.84
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])O2)C=C1	REAL300012004298	0	44	0.0	-31.80	376.67	8.75	-23.05
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(OC(F)F)=C1	REAL300012004299	0	39	0.0	-30.76	343.04	4.42	-26.34
COC1=CC=C2OC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CC2=C1	REAL300012004300	0	38	0.0	-27.06	329.85	5.84	-21.22
O=C([O-])C(CC1=NSN=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012004301	0	35	0.0	-28.55	320.27	7.84	-20.71
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012004302	0	37	0.0	-27.65	318.61	7.09	-20.56
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012004303	0	34	0.0	-28.16	299.11	6.35	-21.81
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012004304	0	39	0.0	-33.24	342.46	7.26	-25.98
CC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1Br	REAL300012004305	0	34	0.0	-24.24	310.67	7.17	-17.07
O=C([O-])C(CC1=NSN=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012004306	0	35	0.0	-31.33	314.15	7.39	-23.94
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1Br	REAL300012004307	0	34	0.0	-25.73	310.69	7.17	-18.56
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012004308	0	38	0.0	-25.24	330.07	7.11	-18.13
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012004309	0	28	0.0	-22.47	276.68	5.57	-16.90
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012004310	0	36	0.0	-26.13	323.68	6.34	-19.79
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012004311	0	35	0.0	-33.31	311.93	5.44	-27.87
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012004312	0	35	0.0	-31.35	311.83	5.43	-25.92
CCOC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=N1	REAL300012004313	0	37	0.0	-24.25	321.52	3.62	-20.63
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012004314	0	39	0.0	-27.89	332.44	7.18	-20.71
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1Cl	REAL300012004315	0	34	0.0	-25.80	306.66	7.08	-18.72
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012004316	0	33	0.0	-29.09	304.39	5.51	-23.58
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])O2)C=C1	REAL300012004317	0	50	0.0	-24.13	407.54	10.20	-13.93
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004318	0	51	0.0	-25.93	395.89	8.60	-17.33
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004319	0	51	0.0	-26.59	415.10	8.54	-18.05
CCCC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004320	0	40	0.0	-24.84	335.56	8.20	-16.64
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004321	0	49	0.0	-26.22	406.02	10.76	-15.46
CCN(CC)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1F	REAL300012004322	0	45	0.0	-29.04	371.66	7.16	-21.88
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C(SC)C=C1OC	REAL300012004323	0	43	0.0	-26.98	362.64	6.03	-20.95
COC1=CC=C2N=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])SC2=C1	REAL300012004324	0	37	0.0	-28.66	334.15	4.84	-23.82
CN1C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=NC2=CC=C(Cl)C=C21	REAL300012004325	0	37	0.0	-33.65	337.52	6.29	-27.36
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1C#N	REAL300012004326	0	36	0.0	-35.02	320.89	5.70	-29.32
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012004327	0	35	0.0	-26.38	321.01	7.25	-19.13
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004328	0	37	0.0	-23.31	317.15	7.44	-15.87
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012004329	0	35	0.0	-30.77	317.99	5.68	-25.09
CCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])N=C1	REAL300012004330	0	37	0.0	-23.69	317.59	4.35	-19.34
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004331	0	37	0.0	-29.82	329.25	7.10	-22.72
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012004332	0	39	0.0	-27.87	351.22	5.86	-22.01
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OCC(C)C	REAL300012004333	0	48	0.0	-27.65	393.40	7.58	-20.07
CCCOC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OC	REAL300012004334	0	45	0.0	-27.74	373.30	6.90	-20.84
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Br)S1	REAL300012004335	0	28	0.0	-30.83	287.58	5.32	-25.51
CCOC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012004336	0	42	0.0	-29.93	373.08	6.78	-23.15
C=CCOC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004337	0	39	0.0	-27.85	335.45	6.79	-21.06
COC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1OC(C)C	REAL300012004338	0	45	0.0	-25.65	369.57	6.21	-19.44
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC	REAL300012004339	0	42	0.0	-28.10	373.08	6.82	-21.28
CCCOC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=CC=C1OCC	REAL300012004340	0	48	0.0	-25.85	397.53	7.34	-18.51
CCCCOC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OC	REAL300012004341	0	48	0.0	-27.72	394.79	7.68	-20.04
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OCC	REAL300012004342	0	48	0.0	-29.75	416.43	8.54	-21.21
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC(F)F	REAL300012004343	0	39	0.0	-27.66	341.02	5.52	-22.14
CCOC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012004344	0	42	0.0	-29.93	361.55	6.38	-23.55
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012004345	0	41	0.0	-27.81	348.52	6.98	-20.83
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-])OC(C)C2	REAL300012004346	0	46	0.0	-25.84	378.20	6.88	-18.96
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012004347	0	41	0.0	-29.49	346.21	5.05	-24.44
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012004348	0	40	0.0	-39.32	370.17	6.92	-32.40
CCCCN1N=C(C)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1Cl	REAL300012004349	0	43	0.0	-25.05	374.15	7.03	-18.02
CCOC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1OC(F)F	REAL300012004350	0	42	0.0	-29.52	364.53	5.97	-23.55
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012004351	0	49	0.0	-31.41	407.77	7.58	-23.83
CC1=CC(C)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1C	REAL300012004352	0	40	0.0	-27.25	327.62	7.27	-19.98
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012004353	0	38	0.0	-31.39	343.54	8.27	-23.12
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC	REAL300012004354	0	45	0.0	-27.95	394.58	7.62	-20.33
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004355	0	53	0.0	-27.80	424.86	9.50	-18.30
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012004356	0	38	0.0	-28.66	346.13	8.06	-20.60
CC(C)(C[NH2+]C(CC1=NSN=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012004357	0	40	0.0	-30.81	323.75	7.19	-23.62
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012004358	0	47	0.0	-27.68	376.06	7.47	-20.21
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004359	0	43	0.0	-28.32	351.52	8.91	-19.41
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=NSN=C1)C(=O)[O-])=N2	REAL300012004360	0	43	0.0	-26.78	355.41	6.65	-20.13
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004361	0	37	0.0	-21.08	317.02	7.56	-13.52
CC1=C(C)C=C2OC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CC2=C1	REAL300012004362	0	40	0.0	-32.28	339.72	7.15	-25.13
CCCC1CCC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])CC1	REAL300012004363	0	46	0.0	-30.00	355.94	7.81	-22.19
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012004364	0	38	0.0	-30.75	344.02	5.69	-25.06
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012004365	0	38	0.0	-35.01	330.33	7.84	-27.17
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012004366	0	38	0.0	-27.05	341.15	8.04	-19.01
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012004367	0	37	0.0	-28.76	332.98	5.72	-23.04
CCCCC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012004368	0	46	0.0	-24.17	383.48	9.44	-14.73
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012004369	0	44	0.0	-31.97	378.10	10.65	-21.32
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004370	0	44	0.0	-27.00	374.27	8.17	-18.83
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012004371	0	40	0.0	-28.98	350.08	6.46	-22.52
COC1=CC=C(C)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004372	0	38	0.0	-26.53	322.06	6.06	-20.47
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1F	REAL300012004373	0	35	0.0	-31.05	306.91	5.36	-25.69
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012004374	0	40	0.0	-36.59	325.29	6.46	-30.13
CC(C)C1CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])CCO1	REAL300012004375	0	44	0.0	-32.77	345.49	5.52	-27.25
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012004376	0	38	0.0	-34.45	348.34	6.75	-27.70
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012004377	0	37	0.0	-38.06	349.96	6.00	-32.06
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012004378	0	37	0.0	-37.71	351.19	5.89	-31.82
CCSC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004379	0	38	0.0	-27.68	332.87	7.84	-19.84
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012004380	1	32	0.0	-32.05	305.54	3.18	-28.87
CCN1N=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012004381	0	40	0.0	-24.38	342.94	6.77	-17.61
COCCC1(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])CCCCC1	REAL300012004382	0	47	0.0	-25.36	348.77	6.20	-19.16
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012004383	0	28	0.0	-24.96	298.92	6.29	-18.67
CCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004384	0	41	0.0	-27.08	345.37	7.05	-20.03
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012004385	0	38	0.0	-26.33	364.63	8.88	-17.45
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004386	0	44	0.0	-25.91	390.05	8.47	-17.44
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012004387	0	34	0.0	-24.97	299.06	6.51	-18.46
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012004388	0	38	0.0	-24.66	331.43	7.87	-16.79
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012004389	0	45	0.0	-29.60	371.04	6.76	-22.84
CCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OCC	REAL300012004390	0	48	0.0	-28.37	396.47	7.87	-20.50
CC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012004391	0	36	0.0	-36.15	316.73	7.22	-28.93
CC(C)OC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004392	0	41	0.0	-26.47	340.47	6.83	-19.64
CCCCCCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004393	0	53	0.0	-27.01	431.36	10.18	-16.83
CC(C[NH2+]C(CC1=NSN=C1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012004394	0	52	0.0	-26.74	405.42	10.40	-16.34
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012004395	0	35	0.0	-24.25	301.97	6.00	-18.25
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Br)C=CS1	REAL300012004396	0	28	0.0	-24.52	282.18	5.67	-18.85
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012004397	0	44	0.0	-25.59	355.76	5.54	-20.05
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012004398	0	31	0.0	-26.50	298.38	6.11	-20.39
CC(C)CC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004399	0	43	0.0	-25.30	353.66	8.71	-16.59
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=C2)C=C1	REAL300012004400	0	44	0.0	-25.76	366.81	10.07	-15.69
COC1=CC=C(Br)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004401	0	35	0.0	-26.62	314.70	5.21	-21.41
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012004402	0	37	0.0	-32.09	328.04	6.76	-25.33
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012004403	0	31	0.0	-26.32	305.98	7.04	-19.28
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012004404	0	31	0.0	-26.20	294.34	6.56	-19.64
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012004405	0	28	0.0	-31.02	278.15	4.26	-26.76
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004406	0	44	0.0	-27.91	368.58	10.11	-17.80
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012004407	0	37	0.0	-28.51	350.31	8.04	-20.47
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012004408	0	35	0.0	-29.44	311.77	5.61	-23.83
CCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OCC	REAL300012004409	0	45	0.0	-28.63	374.97	7.07	-21.56
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012004410	0	31	0.0	-26.43	295.85	5.96	-20.47
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012004411	0	34	0.0	-30.50	323.09	7.40	-23.10
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012004412	0	31	0.0	-26.05	298.38	6.11	-19.94
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012004413	0	35	0.0	-28.55	318.51	5.82	-22.73
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012004414	0	31	0.0	-27.81	297.99	6.03	-21.78
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004415	0	45	0.0	-26.92	379.41	9.05	-17.87
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012004416	0	41	0.0	-26.61	371.79	8.92	-17.69
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012004417	0	31	0.0	-26.95	295.29	5.94	-21.01
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C2=CC=CC=C12	REAL300012004418	0	41	0.0	-28.28	342.86	6.91	-21.37
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012004419	0	38	0.0	-29.82	334.05	5.43	-24.39
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012004419	1	38	0.0	-27.12	328.56	5.91	-21.21
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004420	0	37	0.0	-33.12	318.91	6.37	-26.75
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(Br)=C1O	REAL300012004421	0	36	0.0	-30.01	325.42	3.68	-26.33
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012004422	0	36	0.0	-27.52	308.41	5.87	-21.65
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC(Br)=C1	REAL300012004423	0	28	0.0	-27.40	284.17	5.71	-21.69
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012004424	0	49	0.0	-34.41	405.98	8.38	-26.03
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012004425	0	41	0.0	-25.75	345.41	9.39	-16.36
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012004426	0	44	0.0	-29.37	376.19	6.88	-22.49
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012004427	0	42	0.0	-31.55	348.29	5.36	-26.19
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012004428	0	35	0.0	-26.88	303.54	6.04	-20.84
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012004429	0	31	0.0	-29.14	298.19	6.65	-22.49
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012004430	0	40	0.0	-26.55	344.24	7.91	-18.64
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012004431	0	40	0.0	-30.71	341.74	7.67	-23.04
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012004432	0	40	0.0	-28.19	340.61	7.64	-20.55
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004433	0	46	0.0	-24.63	364.05	6.49	-18.14
CN1CCN(C2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=C2)CC1	REAL300012004434	1	48	0.0	-30.31	384.91	4.20	-26.11
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012004435	0	40	0.0	-30.36	353.85	4.52	-25.84
CNC(=O)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004436	0	38	0.0	-34.45	327.66	4.27	-30.18
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012004437	0	38	0.0	-31.73	337.76	7.31	-24.42
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004438	0	44	0.0	-25.84	383.27	8.57	-17.27
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012004439	0	38	0.0	-30.49	346.75	7.72	-22.77
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004440	0	44	0.0	-32.32	385.42	7.80	-24.52
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012004441	0	50	0.0	-28.14	419.32	9.18	-18.96
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012004442	0	38	0.0	-30.23	343.44	6.72	-23.51
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012004443	0	37	0.0	-27.00	318.63	8.28	-18.72
COC1=C2OC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CC2=CC=C1	REAL300012004444	0	38	0.0	-36.44	333.07	5.31	-31.13
CC(C)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012004445	0	42	0.0	-36.25	357.60	8.53	-27.72
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012004446	0	34	0.0	-29.28	319.90	5.31	-23.97
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004447	0	47	0.0	-30.04	391.32	8.50	-21.54
CCOC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OCC(C)C	REAL300012004448	0	51	0.0	-27.39	415.25	8.50	-18.89
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012004449	0	31	0.0	-26.83	300.40	6.05	-20.78
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012004450	0	31	0.0	-26.38	300.41	6.06	-20.32
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC(OC)=C1	REAL300012004451	0	39	0.0	-27.60	331.51	4.64	-22.96
COC1=CC2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=C2C=C1	REAL300012004452	0	41	0.0	-27.31	346.65	7.54	-19.77
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Br)=CS1	REAL300012004454	0	28	0.0	-29.06	287.39	5.22	-23.84
CCCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OCC	REAL300012004455	0	51	0.0	-29.33	417.97	8.65	-20.68
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004456	0	44	0.0	-27.39	367.85	8.10	-19.29
COC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1OC(F)F	REAL300012004457	0	39	0.0	-29.75	342.55	5.06	-24.69
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012004458	0	35	0.0	-25.44	331.71	6.56	-18.88
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012004459	0	51	0.0	-27.04	409.10	9.29	-17.75
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012004460	0	37	0.0	-24.84	321.55	5.04	-19.80
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012004462	0	31	0.0	-29.83	299.51	6.69	-23.14
CC1=CC=C(COC2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=C2)C=C1	REAL300012004463	0	48	0.0	-28.74	405.19	9.99	-18.75
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012004464	0	46	0.0	-29.60	368.63	6.78	-22.82
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004465	0	50	0.0	-27.40	408.54	9.35	-18.05
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1SC	REAL300012004466	0	39	0.0	-28.54	340.09	6.33	-22.21
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004467	0	42	0.0	-35.09	364.90	7.53	-27.56
CCCCCOC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OC	REAL300012004468	0	51	0.0	-27.72	416.29	8.47	-19.25
CCC(C)OC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OC	REAL300012004469	0	48	0.0	-27.66	390.47	7.52	-20.14
CCCCCCCOC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004470	0	53	0.0	-27.38	430.04	10.14	-17.24
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OCCCC#N	REAL300012004471	0	46	0.0	-37.14	394.15	7.42	-29.72
C=C(C)COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OC	REAL300012004472	0	46	0.0	-29.62	385.08	7.49	-22.13
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OCCC(C)C	REAL300012004473	0	51	0.0	-28.31	413.68	8.25	-20.06
C=CCC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC(OC)=C1O	REAL300012004474	0	43	0.0	-28.15	367.39	5.18	-22.97
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012004475	0	38	0.0	-33.28	335.09	5.42	-27.86
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004476	0	40	0.0	-29.14	350.72	6.99	-22.15
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004477	0	41	0.0	-28.36	368.60	4.50	-23.86
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012004478	0	37	0.0	-25.99	324.09	5.82	-20.17
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012004479	0	37	0.0	-29.86	334.34	6.76	-23.10
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012004480	0	44	0.0	-29.63	365.23	5.12	-24.51
CN1C=NC2=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CC=C21	REAL300012004481	0	37	0.0	-34.09	320.90	7.37	-26.72
CCN1N=C(C)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1C	REAL300012004482	0	40	0.0	-28.88	336.22	5.67	-23.21
C=CCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1Cl	REAL300012004483	0	39	0.0	-30.18	352.79	7.39	-22.79
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012004484	0	37	0.0	-30.41	338.57	6.44	-23.97
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012004485	0	43	0.0	-28.51	358.94	5.89	-22.62
CC1(C)CC2=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CC=C2O1	REAL300012004486	0	42	0.0	-28.14	349.93	7.28	-20.86
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012004487	0	37	0.0	-25.20	329.16	4.46	-20.74
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012004488	0	34	0.0	-24.07	328.98	5.85	-18.22
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004489	0	41	0.0	-37.10	349.31	6.10	-31.00
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012004490	0	34	0.0	-27.13	326.64	7.48	-19.65
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012004491	0	31	0.0	-26.19	309.71	6.55	-19.64
CC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(Br)=C1	REAL300012004492	0	34	0.0	-25.23	313.38	6.70	-18.53
CC(C)COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004493	0	44	0.0	-26.25	364.15	7.71	-18.54
COCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004494	0	42	0.0	-29.71	357.49	5.53	-24.18
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004495	0	46	0.0	-29.81	401.26	9.73	-20.08
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012004496	0	35	0.0	-28.96	326.47	6.11	-22.85
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012004497	0	39	0.0	-34.58	366.59	6.88	-27.70
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1Cl	REAL300012004498	0	41	0.0	-23.39	365.96	7.48	-15.91
COC1=CC2=C(C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-])OCO2	REAL300012004499	0	38	0.0	-28.32	326.68	4.05	-24.27
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012004500	0	36	0.0	-29.42	309.95	5.77	-23.65
CC(C)COC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004501	0	44	0.0	-27.95	365.48	7.75	-20.20
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004502	0	34	0.0	-28.13	305.93	6.59	-21.54
O=C([O-])C(CC1=NSN=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012004503	0	35	0.0	-28.42	308.63	7.36	-21.06
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012004504	0	30	0.0	-26.76	287.36	4.80	-21.96
CN1N=NC2=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CC=C21	REAL300012004505	0	36	0.0	-35.70	315.17	4.44	-31.26
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=C2O1	REAL300012004506	0	42	0.0	-28.80	349.82	7.23	-21.57
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012004507	0	36	0.0	-25.98	328.25	6.44	-19.54
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012004508	0	41	0.0	-31.00	354.02	6.61	-24.39
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012004509	0	38	0.0	-34.43	330.87	7.22	-27.21
CC1=C(Br)SC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004510	0	31	0.0	-23.49	302.69	6.42	-17.07
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012004511	0	36	0.0	-27.38	334.09	6.53	-20.85
CC1=NC2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=C2C=C1	REAL300012004512	0	39	0.0	-28.35	333.89	6.96	-21.39
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=C2)C=C1	REAL300012004513	0	46	0.0	-28.53	389.41	8.13	-20.40
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012004514	0	33	0.0	-26.08	294.80	5.18	-20.90
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=C2)=C1	REAL300012004515	0	47	0.0	-30.49	391.39	10.19	-20.30
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012004516	0	40	0.0	-32.97	340.14	9.44	-23.53
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012004517	0	34	0.0	-25.54	305.48	6.58	-18.96
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012004518	0	38	0.0	-32.57	336.88	6.57	-26.00
COCC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004519	0	38	0.0	-27.87	327.56	5.75	-22.12
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004520	0	41	0.0	-30.69	369.57	7.77	-22.92
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012004521	0	45	0.0	-29.70	388.88	9.33	-20.37
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004522	0	44	0.0	-26.56	368.69	7.37	-19.19
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012004523	0	42	0.0	-28.03	373.11	10.13	-17.90
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012004524	0	41	0.0	-27.14	348.76	6.88	-20.26
COC1=CC(C)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC	REAL300012004525	0	42	0.0	-30.89	347.03	5.22	-25.67
CN1C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300012004526	0	37	0.0	-28.50	338.91	6.36	-22.14
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004527	1	37	0.0	-30.44	330.17	4.12	-26.32
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004528	0	40	0.0	-44.04	359.01	4.94	-39.10
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012004529	0	35	0.0	-30.74	321.43	4.31	-26.43
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004530	0	35	0.0	-25.36	330.55	6.95	-18.41
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012004531	0	41	0.0	-28.67	361.86	7.72	-20.95
CC1CCC2=C(C1)SC(C[NH2+]C(CC1=NSN=C1)C(=O)[O-])=N2	REAL300012004532	0	40	0.0	-27.60	341.82	6.37	-21.23
CC(C)(C)C1CCC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])CC1	REAL300012004533	0	49	0.0	-30.45	356.69	7.53	-22.92
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004534	0	45	0.0	-27.87	376.64	8.23	-19.64
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004535	0	45	0.0	-27.29	374.76	8.80	-18.49
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004536	0	44	0.0	-30.49	371.81	6.47	-24.02
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012004537	0	42	0.0	-27.34	355.55	7.83	-19.51
COC1=CC(Cl)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1Cl	REAL300012004538	0	35	0.0	-23.95	328.57	6.31	-17.64
CC(C)CC1=NC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])S1	REAL300012004539	0	39	0.0	-29.95	342.14	5.46	-24.49
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012004540	0	34	0.0	-31.53	332.58	5.59	-25.94
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012004541	0	34	0.0	-30.06	329.70	5.39	-24.67
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])S2)O1	REAL300012004542	0	37	0.0	-32.58	344.07	5.38	-27.20
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004543	0	34	0.0	-28.11	310.49	6.69	-21.42
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012004544	0	31	0.0	-29.09	308.63	7.10	-21.99
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012004545	0	38	0.0	-33.57	326.54	6.07	-27.50
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012004546	0	40	0.0	-30.48	350.63	7.17	-23.31
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012004547	0	34	0.0	-26.19	316.64	6.98	-19.21
COCCOC1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004548	0	42	0.0	-27.77	357.16	4.97	-22.80
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012004549	0	31	0.0	-24.75	306.57	6.47	-18.28
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004550	0	35	0.0	-26.89	325.67	5.54	-21.35
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012004551	0	34	0.0	-28.10	301.81	5.15	-22.95
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012004552	0	38	0.0	-27.99	329.42	6.13	-21.86
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012004553	0	45	0.0	-27.45	385.64	8.26	-19.19
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012004554	0	42	0.0	-24.12	372.64	9.25	-14.87
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012004555	0	46	0.0	-29.81	399.50	6.75	-23.06
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004556	0	50	0.0	-28.43	401.89	8.93	-19.50
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012004557	0	38	0.0	-25.96	339.16	7.98	-17.98
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])S1	REAL300012004558	0	39	0.0	-29.77	342.54	5.28	-24.49
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012004559	0	37	0.0	-26.90	315.70	5.14	-21.76
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012004560	0	31	0.0	-27.94	293.80	6.64	-21.30
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012004561	0	38	0.0	-28.71	331.34	7.24	-21.47
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012004562	0	41	0.0	-33.41	369.36	8.17	-25.24
CC(C)(C)N1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=N1	REAL300012004563	0	40	0.0	-29.51	335.26	5.85	-23.66
CC(=O)NC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004564	0	38	0.0	-33.87	327.57	4.86	-29.01
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012004565	0	33	0.0	-35.55	299.41	6.66	-28.89
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012004566	0	33	0.0	-32.44	300.73	6.70	-25.74
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012004567	0	37	0.0	-27.97	316.68	7.64	-20.33
CN(C)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004568	0	39	0.0	-29.72	327.20	5.90	-23.82
CCN(CC)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004569	0	45	0.0	-29.07	370.82	7.80	-21.27
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012004570	0	31	0.0	-26.62	293.81	6.65	-19.97
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC(OC)=C1OC	REAL300012004571	0	43	0.0	-34.17	367.60	4.61	-29.56
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012004572	0	31	0.0	-28.81	295.04	5.94	-22.87
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012004573	0	35	0.0	-28.17	311.43	5.05	-23.12
COC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1OC	REAL300012004574	0	39	0.0	-26.66	332.32	4.67	-21.99
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012004575	0	31	0.0	-25.20	302.97	6.37	-18.83
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012004576	0	44	0.0	-26.58	355.20	4.82	-21.76
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC	REAL300012004577	0	39	0.0	-29.11	329.92	5.18	-23.93
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(OC)=C1	REAL300012004578	0	39	0.0	-28.04	333.31	4.15	-23.89
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012004579	0	34	0.0	-27.13	309.92	6.99	-20.14
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012004580	0	31	0.0	-26.64	303.58	6.40	-20.24
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012004581	0	31	0.0	-29.06	304.42	7.00	-22.06
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004582	0	52	0.0	-26.80	422.55	11.15	-15.65
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012004583	0	35	0.0	-27.22	310.45	5.57	-21.65
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012004584	0	34	0.0	-34.79	304.27	6.55	-28.24
CCCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004585	0	44	0.0	-26.42	365.54	7.79	-18.63
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004586	0	47	0.0	-26.33	383.11	8.31	-18.02
CCCCCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004587	0	50	0.0	-26.31	408.54	9.35	-16.96
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012004588	0	42	0.0	-30.22	361.21	8.87	-21.35
CCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(OCCC)=C1	REAL300012004589	0	51	0.0	-25.86	417.86	7.52	-18.34
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004590	0	38	0.0	-25.47	318.86	7.76	-17.71
CCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC	REAL300012004591	0	42	0.0	-29.68	353.10	6.15	-23.53
CC(C)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004592	0	40	0.0	-24.65	331.41	7.92	-16.73
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012004593	0	34	0.0	-29.80	311.24	7.02	-22.78
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(OC)=C1OC	REAL300012004594	0	43	0.0	-28.77	363.07	5.19	-23.58
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012004595	0	49	0.0	-30.29	411.69	9.16	-21.13
CCOC1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004596	0	38	0.0	-26.80	325.70	5.79	-21.01
CCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004597	0	38	0.0	-27.38	323.87	6.25	-21.13
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004598	0	35	0.0	-25.77	321.95	6.01	-19.76
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC(Br)=C1O	REAL300012004599	0	36	0.0	-27.80	333.18	3.80	-24.00
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012004600	0	41	0.0	-26.65	345.41	9.40	-17.25
COC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012004601	0	41	0.0	-25.41	341.56	7.46	-17.95
CSC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004602	0	35	0.0	-30.26	315.91	6.52	-23.74
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012004603	0	31	0.0	-22.49	297.62	6.75	-15.74
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004604	0	43	0.0	-29.46	359.30	4.59	-24.87
CC1=CC(C)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=C1	REAL300012004605	0	40	0.0	-23.56	323.78	7.68	-15.88
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004606	0	41	0.0	-27.99	365.89	8.01	-19.98
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012004607	0	45	0.0	-29.01	382.46	9.27	-19.74
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1Br	REAL300012004608	0	31	0.0	-28.12	288.21	6.02	-22.10
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1O	REAL300012004609	0	36	0.0	-29.62	311.44	3.12	-26.50
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004610	0	34	0.0	-26.43	310.67	4.68	-21.75
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012004611	0	34	0.0	-33.32	313.42	5.16	-28.16
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012004612	0	43	0.0	-26.99	343.42	5.63	-21.36
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1I	REAL300012004613	0	31	0.0	-26.15	289.30	6.30	-19.85
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012004614	0	39	0.0	-32.15	352.80	4.70	-27.45
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012004615	0	48	0.0	-28.77	394.20	9.23	-19.54
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004616	0	43	0.0	-34.70	368.54	7.31	-27.39
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012004617	0	41	0.0	-27.94	351.16	7.12	-20.82
CCOC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1OC	REAL300012004618	0	42	0.0	-27.31	356.33	5.67	-21.64
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OCC(N)=O	REAL300012004619	0	43	0.0	-39.30	368.53	3.14	-36.16
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004620	0	37	0.0	-27.27	329.32	6.25	-21.02
CCNC(=O)COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC	REAL300012004621	0	49	0.0	-39.83	411.93	5.43	-34.40
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012004622	0	38	0.0	-29.07	326.78	3.93	-25.14
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012004623	0	37	0.0	-34.74	330.13	5.28	-29.46
COC1=CC2=C(C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-])OC(C)C2	REAL300012004624	0	43	0.0	-29.06	358.69	5.37	-23.69
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012004625	0	47	0.0	-41.16	404.86	2.41	-38.75
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CS1	REAL300012004626	1	40	0.0	-42.75	354.78	5.36	-37.39
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1C	REAL300012004627	0	38	0.0	-26.58	320.75	6.03	-20.55
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004628	0	40	0.0	-28.32	322.95	4.37	-23.95
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004629	0	39	0.0	-26.01	328.81	4.75	-21.26
COC1=CC=C(F)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004630	0	35	0.0	-29.96	307.54	4.75	-25.21
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(I)=C1	REAL300012004631	0	31	0.0	-27.73	300.29	7.12	-20.61
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(I)C=C1	REAL300012004632	0	31	0.0	-26.46	300.29	7.13	-19.33
CSC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])S1	REAL300012004633	0	32	0.0	-24.21	304.71	6.31	-17.90
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012004634	0	41	0.0	-32.95	370.16	6.31	-26.64
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004635	0	44	0.0	-25.60	362.85	9.18	-16.42
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012004636	0	34	0.0	-28.25	301.70	4.15	-24.10
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012004637	0	28	0.0	-25.23	278.01	5.58	-19.65
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004638	0	37	0.0	-34.32	333.21	3.55	-30.77
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012004639	0	41	0.0	-27.12	362.13	9.92	-17.20
COC1=CC=C(F)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004640	0	35	0.0	-26.41	307.05	5.46	-20.95
NC(=O)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004641	0	35	0.0	-35.11	307.05	2.81	-32.30
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1F	REAL300012004642	0	35	0.0	-28.87	306.91	5.35	-23.52
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004643	0	35	0.0	-25.96	317.39	5.90	-20.06
COC(=O)C1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CN1C	REAL300012004644	0	38	0.0	-28.48	331.92	6.22	-22.26
CC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1Cl	REAL300012004645	0	34	0.0	-24.31	306.64	7.08	-17.23
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1C	REAL300012004646	0	38	0.0	-26.50	322.08	6.07	-20.43
N#CC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(F)=C1	REAL300012004647	0	32	0.0	-30.92	300.75	5.86	-25.06
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012004648	0	44	0.0	-29.23	375.23	7.57	-21.66
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012004649	0	30	0.0	-32.99	291.99	4.26	-28.73
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012004650	0	40	0.0	-26.79	344.88	3.30	-23.49
C#CCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004651	0	40	0.0	-27.02	349.83	7.54	-19.48
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012004652	0	34	0.0	-35.60	300.51	5.92	-29.68
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=C12	REAL300012004653	0	39	0.0	-33.11	338.77	5.76	-27.35
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012004654	0	34	0.0	-23.42	308.95	5.25	-18.17
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012004655	0	34	0.0	-24.27	314.88	6.99	-17.28
CCOCC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OC	REAL300012004656	0	45	0.0	-24.62	374.78	6.20	-18.42
NC(=O)C1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004657	0	35	0.0	-36.28	305.74	2.76	-33.52
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012004658	0	34	0.0	-25.85	307.70	5.44	-20.41
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012004659	0	40	0.0	-33.51	364.43	4.88	-28.63
COC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1F	REAL300012004660	0	35	0.0	-28.68	310.57	4.82	-23.86
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012004661	0	31	0.0	-28.33	299.07	6.01	-22.32
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012004662	0	38	0.0	-25.43	318.03	7.94	-17.49
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC=C1Br	REAL300012004663	0	28	0.0	-25.54	284.04	4.99	-20.55
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004664	0	44	0.0	-26.42	367.29	7.27	-19.15
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012004665	0	37	0.0	-27.99	321.03	5.76	-22.23
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012004666	0	31	0.0	-26.11	298.90	6.67	-19.44
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012004667	0	36	0.0	-29.88	313.52	6.50	-23.38
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012004668	0	31	0.0	-26.74	297.69	6.08	-20.66
COC1=CC(F)=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004669	0	35	0.0	-26.67	307.11	5.35	-21.32
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012004670	0	31	0.0	-26.89	299.70	6.05	-20.84
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=N1	REAL300012004671	0	41	0.0	-27.44	342.82	5.94	-21.50
CS(=O)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004672	0	36	0.0	-37.58	326.58	4.05	-33.53
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012004673	0	41	0.0	-25.50	335.21	8.52	-16.98
COC(=O)C1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CN1	REAL300012004674	0	35	0.0	-34.69	312.85	4.42	-30.27
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=C1OC	REAL300012004675	0	42	0.0	-28.05	341.26	5.75	-22.30
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012004676	0	28	0.0	-26.42	296.66	5.49	-20.93
COC1=CC(C)=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004677	0	38	0.0	-27.04	325.25	5.52	-21.52
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012004678	0	30	0.0	-32.74	301.76	3.90	-28.84
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004679	0	37	0.0	-35.84	333.20	3.54	-32.30
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012004680	0	28	0.0	-28.35	280.64	5.04	-23.31
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012004681	0	44	0.0	-25.32	356.06	9.22	-16.10
CC1=CC(Cl)=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004682	0	34	0.0	-24.17	309.32	7.15	-17.02
COCC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004683	0	38	0.0	-30.51	329.43	5.19	-25.32
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012004685	0	38	0.0	-24.98	320.41	8.09	-16.89
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012004686	0	27	0.0	-26.53	275.39	3.18	-23.35
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012004687	0	41	0.0	-26.78	338.67	6.52	-20.26
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004688	0	41	0.0	-27.05	347.38	7.05	-20.00
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012004689	0	34	0.0	-30.64	306.55	6.32	-24.32
COC1=CC(C)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=N1	REAL300012004690	0	40	0.0	-25.34	330.33	3.70	-21.64
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004691	0	35	0.0	-27.84	317.90	5.27	-22.57
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004692	0	41	0.0	-28.40	338.65	6.06	-22.34
CC1=NC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012004693	0	41	0.0	-29.19	354.71	7.78	-21.41
CCCN1N=C(C)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1C	REAL300012004694	0	43	0.0	-24.81	354.35	6.32	-18.49
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012004695	0	36	0.0	-28.89	314.51	5.68	-23.21
COCCN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=N1	REAL300012004696	0	38	0.0	-33.90	333.70	3.21	-30.69
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012004697	0	41	0.0	-24.77	336.95	8.57	-16.20
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012004698	0	41	0.0	-26.85	345.67	7.59	-19.26
CCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1F	REAL300012004699	0	38	0.0	-30.88	328.76	6.29	-24.59
COC1=CC=CC2=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=CC=C12	REAL300012004700	0	41	0.0	-28.33	342.88	6.91	-21.42
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1C#N	REAL300012004701	0	36	0.0	-32.99	322.21	5.74	-27.25
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004702	0	41	0.0	-25.30	347.82	7.86	-17.44
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012004703	0	30	0.0	-27.58	296.53	4.30	-23.28
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1C#N	REAL300012004704	0	35	0.0	-30.60	312.51	6.92	-23.68
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012004705	0	38	0.0	-29.30	336.43	4.33	-24.97
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(Br)=C1	REAL300012004706	0	35	0.0	-25.70	320.12	5.28	-20.42
CC(C)CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=N1	REAL300012004707	0	40	0.0	-26.66	333.74	6.28	-20.38
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012004708	0	38	0.0	-26.24	316.57	7.42	-18.82
CC1=CC(Br)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])S1	REAL300012004709	0	31	0.0	-24.06	304.07	6.48	-17.58
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004710	0	46	0.0	-32.27	380.89	8.69	-23.58
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004711	0	41	0.0	-26.09	364.39	8.19	-17.90
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CC=C21	REAL300012004712	0	42	0.0	-35.83	351.56	6.39	-29.44
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004713	0	38	0.0	-27.01	331.82	6.34	-20.67
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012004714	0	37	0.0	-30.25	355.29	6.96	-23.29
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012004715	0	37	0.0	-33.09	345.22	6.76	-26.33
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004716	0	48	0.0	-28.93	399.81	8.93	-20.00
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012004717	0	42	0.0	-26.62	371.93	7.80	-18.82
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004718	0	40	0.0	-29.13	336.96	5.13	-24.00
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012004719	0	36	0.0	-31.78	330.43	6.40	-25.38
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012004720	0	40	0.0	-29.76	347.60	6.12	-23.64
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012004721	0	37	0.0	-33.85	348.89	6.74	-27.11
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012004722	0	34	0.0	-25.59	309.11	5.62	-19.97
CC(C)C1=NC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])S1	REAL300012004723	0	36	0.0	-29.95	324.66	4.81	-25.14
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012004724	0	34	0.0	-32.73	322.16	4.56	-28.17
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012004725	0	31	0.0	-28.96	308.63	7.10	-21.86
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012004726	0	43	0.0	-30.59	383.95	7.97	-22.62
CN1C=C(C2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=C2)C=N1	REAL300012004727	0	41	0.0	-30.87	351.31	7.28	-23.59
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012004728	0	34	0.0	-37.62	311.88	4.49	-33.13
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012004729	0	42	0.0	-28.54	366.30	8.90	-19.64
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012004730	0	41	0.0	-32.16	360.41	6.67	-25.49
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012004731	0	42	0.0	-34.16	374.81	6.99	-27.17
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])N1	REAL300012004732	0	39	0.0	-38.35	333.01	3.68	-34.67
NC(=O)C1=CSC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004733	0	32	0.0	-34.19	302.03	1.36	-32.83
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=N1	REAL300012004734	0	45	0.0	-30.30	379.57	8.42	-21.88
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004735	0	43	0.0	-27.74	357.39	6.24	-21.50
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012004736	0	37	0.0	-29.82	330.24	5.61	-24.21
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012004737	0	38	0.0	-27.38	334.93	4.22	-23.16
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])N=N1	REAL300012004738	0	40	0.0	-37.31	349.74	6.21	-31.10
CN1N=C(Br)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004739	0	31	0.0	-30.43	298.03	3.57	-26.86
CN1C=C(C2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])S2)C=N1	REAL300012004740	0	38	0.0	-28.78	346.47	6.71	-22.07
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012004741	0	43	0.0	-29.82	350.27	6.88	-22.94
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004742	0	38	0.0	-25.54	340.99	6.30	-19.24
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004743	0	37	0.0	-21.63	308.26	7.17	-14.46
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012004744	0	31	0.0	-23.71	305.43	7.01	-16.70
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012004745	0	31	0.0	-25.94	288.73	3.93	-22.01
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004746	0	42	0.0	-29.60	358.48	5.78	-23.82
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012004747	0	35	0.0	-28.18	324.34	5.32	-22.86
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012004748	0	38	0.0	-29.04	332.36	6.24	-22.80
CC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012004749	0	44	0.0	-32.29	368.64	7.18	-25.11
CC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012004750	0	44	0.0	-26.74	371.49	7.04	-19.70
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012004752	0	41	0.0	-31.43	368.72	8.20	-23.23
CC1=CC(Br)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1Cl	REAL300012004753	0	34	0.0	-22.07	322.10	7.66	-14.41
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012004754	0	41	0.0	-28.20	374.93	7.47	-20.73
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012004756	0	34	0.0	-25.44	307.05	5.44	-20.00
N#CCCN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012004757	0	44	0.0	-36.85	387.11	6.07	-30.78
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012004758	0	37	0.0	-24.63	331.37	9.57	-15.06
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004759	0	41	0.0	-32.39	350.56	6.53	-25.86
COCCCN1N=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004760	0	41	0.0	-28.67	348.56	3.87	-24.80
CC1=CC(F)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(Cl)=C1	REAL300012004761	0	34	0.0	-24.90	313.27	7.13	-17.77
COCCOCC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004762	0	45	0.0	-32.58	384.91	5.42	-27.16
CSCC1=CN=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])S1	REAL300012004763	0	34	0.0	-29.03	323.92	5.18	-23.85
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012004764	0	31	0.0	-25.64	295.57	5.47	-20.17
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012004765	0	37	0.0	-31.40	344.04	7.97	-23.43
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012004766	0	45	0.0	-35.31	395.94	8.44	-26.87
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012004767	0	38	0.0	-25.22	320.39	8.08	-17.14
N#CC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1F	REAL300012004768	0	32	0.0	-34.69	299.27	6.46	-28.23
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012004769	0	34	0.0	-28.40	312.11	5.13	-23.27
CC1=CC(F)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(F)=C1	REAL300012004770	0	34	0.0	-28.93	307.72	6.22	-22.71
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=NSN=C2)C(=O)[O-])O1	REAL300012004771	0	41	0.0	-29.86	350.21	6.81	-23.05
CC(C)CN1N=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004772	0	40	0.0	-28.03	335.18	5.44	-22.59
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012004773	0	30	0.0	-28.82	299.66	4.57	-24.25
COC(=O)C1=C(C)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CN1	REAL300012004774	0	38	0.0	-33.60	330.08	5.05	-28.55
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])S2)C=C1C	REAL300012004775	0	43	0.0	-30.46	376.93	7.65	-22.81
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004776	0	41	0.0	-33.67	357.24	7.40	-26.27
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004777	0	41	0.0	-32.33	366.28	7.97	-24.36
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004778	0	44	0.0	-31.62	376.34	7.91	-23.71
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004779	0	41	0.0	-32.41	349.13	7.98	-24.43
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004780	0	40	0.0	-25.91	327.45	7.19	-18.72
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012004781	0	38	0.0	-24.50	315.78	5.32	-19.18
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012004782	0	37	0.0	-30.18	325.17	5.11	-25.07
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012004783	0	33	0.0	-26.96	295.12	4.82	-22.14
COC1=CC(OC)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1F	REAL300012004784	0	39	0.0	-27.54	334.99	4.73	-22.81
COC1=CC(F)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC	REAL300012004785	0	39	0.0	-24.83	334.45	5.23	-19.60
CC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(Cl)=C1	REAL300012004786	0	34	0.0	-25.67	309.80	6.61	-19.06
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004787	0	44	0.0	-31.08	374.31	7.92	-23.16
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(F)=C1	REAL300012004788	0	35	0.0	-27.91	310.74	4.81	-23.10
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012004789	0	38	0.0	-24.75	316.71	7.85	-16.90
COC1=CC=CC(F)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004790	0	35	0.0	-29.65	307.84	4.83	-24.82
CCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=C1	REAL300012004791	0	44	0.0	-28.07	362.03	7.10	-20.97
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012004792	0	33	0.0	-26.72	304.64	5.77	-20.95
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012004793	0	34	0.0	-25.50	321.67	7.17	-18.33
CCC1=C2OC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CC2=CC=C1	REAL300012004794	0	40	0.0	-25.41	343.29	7.99	-17.42
C=CCCN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])N=N1	REAL300012004795	0	37	0.0	-26.37	325.03	4.68	-21.69
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012004796	0	38	0.0	-24.22	320.28	5.87	-18.35
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012004797	0	39	0.0	-28.94	341.61	6.49	-22.45
CCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=C1	REAL300012004798	0	41	0.0	-27.95	339.71	6.26	-21.69
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012004799	0	35	0.0	-29.92	320.03	5.20	-24.72
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012004800	0	35	0.0	-26.42	316.81	5.74	-20.68
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012004801	0	44	0.0	-24.77	355.42	9.19	-15.58
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=N1	REAL300012004802	0	41	0.0	-31.08	359.05	4.49	-26.59
COCC1=CSC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004803	0	35	0.0	-29.75	319.06	4.25	-25.50
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012004804	0	37	0.0	-25.58	314.69	4.49	-21.09
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012004805	0	37	0.0	-30.62	355.29	6.96	-23.66
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012004806	0	31	0.0	-28.49	301.81	6.13	-22.36
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012004807	0	31	0.0	-33.30	295.46	4.78	-28.52
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012004808	0	31	0.0	-21.49	289.41	6.21	-15.28
CN(C)C1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=CC(F)=C1F	REAL300012004809	0	39	0.0	-27.31	333.19	5.49	-21.82
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012004810	0	31	0.0	-28.93	300.90	5.98	-22.95
CC(C)OC1=CC(Cl)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1Cl	REAL300012004811	0	41	0.0	-24.24	369.68	7.90	-16.34
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012004812	0	43	0.0	-33.17	361.02	5.14	-28.03
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1F	REAL300012004813	0	39	0.0	-25.08	337.93	5.61	-19.47
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004814	0	45	0.0	-31.65	374.25	7.76	-23.89
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012004815	0	31	0.0	-25.42	289.65	6.20	-19.22
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012004816	0	38	0.0	-27.37	339.41	6.28	-21.09
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC	REAL300012004817	0	43	0.0	-27.57	384.66	7.35	-20.22
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC1CC1	REAL300012004818	0	43	0.0	-29.31	362.29	6.90	-22.41
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004819	0	34	0.0	-30.54	315.32	3.97	-26.57
COCC(C)OC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004820	0	45	0.0	-27.18	372.78	6.19	-20.99
CCCC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])S1	REAL300012004821	0	37	0.0	-28.45	328.63	6.88	-21.57
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012004822	0	38	0.0	-27.05	338.56	8.60	-18.45
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012004823	0	44	0.0	-28.20	368.32	7.63	-20.57
CC(C)C1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004824	0	40	0.0	-25.52	332.73	7.95	-17.57
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(Cl)=N1	REAL300012004825	0	31	0.0	-33.31	292.95	3.64	-29.67
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012004826	0	38	0.0	-28.08	350.75	6.27	-21.81
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012004827	0	47	0.0	-25.91	371.86	7.97	-17.94
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012004828	0	44	0.0	-25.40	363.57	9.54	-15.86
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004829	0	39	0.0	-28.59	346.35	4.63	-23.96
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=NC=C1Br	REAL300012004830	0	33	0.0	-23.29	307.31	5.38	-17.91
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C(Br)C=C1F	REAL300012004831	0	34	0.0	-21.61	313.36	7.27	-14.34
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012004832	0	32	0.0	-28.56	303.46	3.20	-25.36
CN1C=C(C2=NC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CS2)C=N1	REAL300012004833	0	37	0.0	-36.90	345.20	4.08	-32.82
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1Cl	REAL300012004834	0	35	0.0	-28.34	318.03	5.88	-22.46
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012004835	0	41	0.0	-29.62	341.62	5.85	-23.77
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012004836	0	37	0.0	-26.90	331.82	5.92	-20.98
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012004837	0	37	0.0	-30.26	324.82	7.07	-23.19
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(Br)=N1	REAL300012004838	0	31	0.0	-32.36	296.99	3.70	-28.66
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004839	0	38	0.0	-30.61	327.30	4.88	-25.73
CN1N=CC2=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CN=C21	REAL300012004840	0	36	0.0	-35.05	319.99	4.63	-30.42
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012004841	0	30	0.0	-24.08	292.83	4.78	-19.30
COC1=CC(Cl)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC	REAL300012004842	0	39	0.0	-24.17	341.77	5.65	-18.52
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012004843	0	37	0.0	-28.22	333.50	7.81	-20.41
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004844	0	51	0.0	-30.00	419.08	6.42	-23.58
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004845	0	41	0.0	-25.40	334.43	5.95	-19.45
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C(C)N1	REAL300012004846	0	44	0.0	-31.79	372.84	6.41	-25.38
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012004847	0	30	0.0	-29.01	288.79	4.67	-24.34
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012004848	0	41	0.0	-25.68	364.19	9.96	-15.72
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012004849	0	31	0.0	-23.78	302.63	6.70	-17.08
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Br)SC=C1	REAL300012004850	0	28	0.0	-22.31	280.46	5.69	-16.62
CCOC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C(F)C=C1OC	REAL300012004851	0	42	0.0	-25.34	357.62	6.18	-19.16
COC1=NC=C(Br)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004852	0	34	0.0	-26.19	318.25	3.37	-22.82
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012004853	0	37	0.0	-28.61	320.06	7.59	-21.02
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CN=C1Br	REAL300012004854	0	30	0.0	-23.29	281.75	4.68	-18.61
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C(F)C=C1Br	REAL300012004855	0	35	0.0	-32.01	327.94	5.43	-26.58
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012004856	0	31	0.0	-26.63	307.79	6.50	-20.13
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012004857	0	35	0.0	-27.57	324.61	5.34	-22.23
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004858	0	41	0.0	-26.06	346.83	7.01	-19.05
CCOC1=CC(F)=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004859	0	38	0.0	-26.28	328.96	6.28	-20.00
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012004860	0	45	0.0	-36.12	368.52	7.04	-29.08
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012004861	0	35	0.0	-29.62	320.51	5.09	-24.53
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004862	0	44	0.0	-27.73	351.59	7.12	-20.61
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004863	0	34	0.0	-26.79	302.39	6.46	-20.33
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C(F)C=C1C	REAL300012004864	0	38	0.0	-23.45	326.62	6.11	-17.34
CC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=C1Br	REAL300012004865	0	37	0.0	-25.81	320.28	7.63	-18.18
CC1=CC=NC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1Br	REAL300012004866	0	33	0.0	-23.49	302.56	5.23	-18.26
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004867	0	48	0.0	-31.67	394.59	6.27	-25.40
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012004868	0	41	0.0	-30.45	368.00	6.80	-23.65
COCCC1=NC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])S1	REAL300012004870	0	37	0.0	-31.17	337.55	3.27	-27.90
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012004872	1	32	0.0	-28.33	310.70	3.31	-25.02
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012004873	1	32	0.0	-28.90	295.81	2.77	-26.13
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004874	0	39	0.0	-31.60	339.26	5.13	-26.47
CCN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012004875	0	44	0.0	-31.11	375.87	7.47	-23.64
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012004876	0	39	0.0	-24.20	315.40	5.88	-18.32
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1C	REAL300012004877	0	47	0.0	-24.72	370.70	7.16	-17.56
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012004878	0	33	0.0	-34.71	298.94	6.53	-28.18
CC1=C(Br)C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])S1	REAL300012004879	0	31	0.0	-28.87	308.28	6.00	-22.87
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012004880	0	41	0.0	-27.16	362.14	9.91	-17.25
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012004881	0	36	0.0	-27.08	303.22	6.12	-20.96
CCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1C	REAL300012004882	0	44	0.0	-26.32	365.45	7.80	-18.52
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012004883	0	35	0.0	-32.35	308.56	4.44	-27.91
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012004884	0	49	0.0	-26.38	410.46	8.75	-17.63
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012004885	0	45	0.0	-31.30	383.39	6.97	-24.33
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004886	0	38	0.0	-28.58	331.02	5.81	-22.77
CC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004887	0	34	0.0	-21.45	312.26	7.06	-14.39
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012004888	0	36	0.0	-32.22	313.32	6.62	-25.60
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004889	0	39	0.0	-25.88	328.60	7.57	-18.31
COC1=CC=C(CN2C=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])N=N2)C=C1	REAL300012004890	0	44	0.0	-28.96	378.85	5.63	-23.33
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(F)=C1OC	REAL300012004891	0	39	0.0	-34.46	340.56	5.36	-29.10
COC(=O)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(F)=C1	REAL300012004892	0	37	0.0	-30.93	336.04	6.17	-24.76
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012004893	0	41	0.0	-31.82	359.16	6.41	-25.41
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012004894	0	45	0.0	-28.71	382.45	9.27	-19.44
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012004895	0	38	0.0	-30.23	336.06	6.02	-24.21
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004896	0	49	0.0	-26.50	410.73	8.75	-17.75
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004897	0	47	0.0	-28.13	389.36	9.08	-19.05
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004898	0	38	0.0	-27.62	323.06	7.38	-20.24
CCCC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004900	0	40	0.0	-28.46	338.76	7.68	-20.78
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012004901	0	37	0.0	-24.14	354.07	7.34	-16.80
COC1=CC=C(C2=NC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CS2)C=C1	REAL300012004902	0	41	0.0	-24.31	365.47	6.09	-18.22
CC1=C2C=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=NC2=NN1	REAL300012004904	0	36	0.0	-33.67	315.58	4.54	-29.13
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004905	0	39	0.0	-33.75	346.10	2.74	-31.01
CN1N=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012004906	0	37	0.0	-27.71	323.49	5.34	-22.37
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012004907	0	34	0.0	-28.03	298.08	4.60	-23.43
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012004907	1	34	0.0	-28.24	298.27	4.61	-23.63
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004908	0	31	0.0	-33.06	309.16	4.78	-28.28
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012004909	0	36	0.0	-28.85	310.24	6.31	-22.54
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012004910	0	37	0.0	-31.80	319.92	6.38	-25.42
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004911	0	51	0.0	-29.53	397.46	7.59	-21.94
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012004912	0	37	0.0	-34.98	331.88	3.73	-31.25
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC=C1Cl	REAL300012004913	0	28	0.0	-25.97	280.38	4.89	-21.08
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=NSN=C2)C(=O)[O-])S1	REAL300012004914	0	36	0.0	-30.48	330.03	4.67	-25.81
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=NSN=C2)C(=O)[O-])S1	REAL300012004915	0	42	0.0	-29.59	371.98	5.97	-23.62
CCCC(C[NH2+]C(CC1=NSN=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012004916	0	43	0.0	-26.31	349.47	8.63	-17.68
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012004917	0	36	0.0	-28.15	329.38	6.43	-21.72
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012004918	0	31	0.0	-24.75	302.06	6.29	-18.46
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012004919	0	33	0.0	-27.43	324.14	6.05	-21.38
CN(C)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012004920	0	42	0.0	-34.24	355.44	6.93	-27.31
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004921	0	41	0.0	-29.38	354.76	8.65	-20.73
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004922	0	40	0.0	-26.03	362.74	7.62	-18.41
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012004923	0	50	0.0	-27.66	409.60	9.54	-18.12
CC(C)C1CCC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])CC1	REAL300012004924	0	46	0.0	-30.98	343.80	7.26	-23.72
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012004925	0	34	0.0	-33.00	333.44	6.76	-26.24
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012004926	0	34	0.0	-24.94	319.48	7.11	-17.83
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004927	0	42	0.0	-29.54	359.15	7.43	-22.11
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004928	0	45	0.0	-26.72	370.30	7.61	-19.11
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004929	0	41	0.0	-23.75	345.77	6.86	-16.89
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012004930	0	40	0.0	-33.24	350.04	7.21	-26.03
CN1N=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1Cl	REAL300012004931	0	31	0.0	-28.49	294.32	3.63	-24.86
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012004932	0	33	0.0	-28.03	295.15	3.51	-24.52
COC1=CC=C(N2C=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=N2)C=C1	REAL300012004933	0	42	0.0	-32.41	360.82	6.54	-25.87
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004934	0	46	0.0	-27.15	392.72	9.39	-17.76
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012004935	0	33	0.0	-25.73	310.60	3.96	-21.77
O=C([O-])C(CC1=NSN=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012004936	0	38	0.0	-30.32	322.71	7.53	-22.79
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=NC=C1Br	REAL300012004937	0	30	0.0	-29.84	284.13	4.26	-25.58
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])S1	REAL300012004938	0	34	0.0	-32.11	325.60	2.71	-29.40
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012004939	0	51	0.0	-26.92	416.25	9.33	-17.59
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012004940	0	37	0.0	-29.41	322.75	6.18	-23.23
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(F)=C1	REAL300012004941	0	36	0.0	-40.77	334.45	0.50	-40.27
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004943	0	33	0.0	-29.94	304.90	4.78	-25.16
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004944	0	34	0.0	-32.93	312.68	4.09	-28.84
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004945	0	38	0.0	-25.22	323.21	5.67	-19.55
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004946	0	41	0.0	-29.83	342.79	5.64	-24.19
CC1=C2C=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])NC2=CC=C1	REAL300012004947	0	38	0.0	-30.27	326.38	6.00	-24.27
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012004948	0	37	0.0	-31.29	325.78	4.59	-26.70
CC1=CC=C2C=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])NC2=C1	REAL300012004949	0	38	0.0	-29.66	326.79	6.02	-23.64
CCOC1=CN=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004950	0	37	0.0	-27.40	317.48	4.39	-23.01
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012004951	0	42	0.0	-29.77	348.09	4.03	-25.74
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012004952	0	34	0.0	-27.51	296.58	4.66	-22.85
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004953	0	39	0.0	-33.99	315.19	5.87	-28.12
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012004954	0	35	0.0	-31.21	305.73	5.48	-25.73
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012004955	0	34	0.0	-36.44	305.12	3.51	-32.93
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012004956	0	33	0.0	-27.93	300.61	5.07	-22.86
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004957	0	40	0.0	-26.84	343.03	6.42	-20.42
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012004958	0	41	0.0	-40.37	348.00	2.86	-37.51
COC1=CN=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1C	REAL300012004959	0	37	0.0	-30.54	314.94	3.59	-26.95
CC1=CC(C)=C(C=CC[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=C1	REAL300012004960	0	44	0.0	-26.46	361.25	9.12	-17.34
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012004961	0	51	0.0	-32.05	415.72	4.36	-27.69
CC(C)(C)OC(=O)NC(C[NH2+]C(CC1=NSN=C1)C(=O)[O-])CC(F)F	REAL300012004962	0	47	0.0	-31.95	384.59	4.29	-27.66
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012004963	0	41	0.0	-38.98	348.54	3.00	-35.98
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004964	0	39	0.0	-23.53	329.28	6.09	-17.44
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012004965	0	36	0.0	-35.37	319.93	6.47	-28.90
CC1=CC(C)=C(C=CC[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1C	REAL300012004966	0	44	0.0	-26.97	358.11	9.01	-17.96
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004967	0	36	0.0	-37.43	328.55	0.42	-37.01
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012004968	0	40	0.0	-21.55	322.51	6.43	-15.12
CC1=NN(C)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1Cl	REAL300012004969	0	34	0.0	-22.62	309.32	4.60	-18.02
CN1C=CC(C2=NC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CS2)=N1	REAL300012004970	0	37	0.0	-28.49	342.12	4.50	-23.99
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012004971	0	44	0.0	-27.89	357.54	6.83	-21.06
CC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1Br	REAL300012004972	0	34	0.0	-25.40	310.18	6.61	-18.79
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012004973	0	42	0.0	-29.34	366.29	8.89	-20.45
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012004974	0	39	0.0	-27.53	326.22	6.66	-20.87
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004975	0	41	0.0	-37.70	344.68	5.88	-31.82
CCC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(Cl)=NN1	REAL300012004976	0	34	0.0	-22.54	308.67	4.08	-18.46
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012004977	0	35	0.0	-27.78	317.55	4.94	-22.84
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012004978	0	43	0.0	-25.70	344.49	7.22	-18.48
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012004979	0	46	0.0	-23.91	364.19	8.01	-15.90
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012004980	1	30	0.0	-24.39	298.15	4.13	-20.26
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012004981	0	34	0.0	-29.04	311.72	6.98	-22.06
COC(=O)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1C	REAL300012004982	0	40	0.0	-29.62	342.03	7.18	-22.44
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=C1	REAL300012004983	0	38	0.0	-28.54	318.68	5.38	-23.16
CC1=C(Cl)C=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1Cl	REAL300012004984	0	34	0.0	-25.96	321.19	6.96	-19.00
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004985	0	32	0.0	-31.23	308.89	6.38	-24.85
CC1CC2=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CC=C2O1	REAL300012004986	0	39	0.0	-26.66	328.08	6.56	-20.10
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012004987	0	34	0.0	-32.80	307.45	2.99	-29.81
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012004988	0	36	0.0	-27.06	310.11	5.29	-21.77
CSCC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004989	0	38	0.0	-30.89	341.81	7.39	-23.50
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012004990	0	41	0.0	-29.69	343.44	6.73	-22.96
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004991	0	39	0.0	-26.81	327.79	3.63	-23.18
CN1N=C2CCCC2=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004992	0	38	0.0	-26.88	319.22	5.50	-21.38
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012004993	0	38	0.0	-26.30	319.97	5.77	-20.53
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012004994	0	38	0.0	-25.82	319.36	5.77	-20.05
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004995	0	44	0.0	-27.78	372.16	6.84	-20.94
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012004996	0	41	0.0	-29.88	358.04	6.37	-23.51
COC1=CC=C(C)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012004997	0	38	0.0	-29.41	317.85	5.32	-24.09
CN1C=NC2=CC=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=C21	REAL300012004998	0	37	0.0	-30.65	311.95	6.65	-24.00
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012004999	0	41	0.0	-35.24	344.12	5.86	-29.38
CC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=C1C	REAL300012005000	0	40	0.0	-27.88	325.21	7.21	-20.67
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012005001	0	41	0.0	-34.63	350.47	5.15	-29.48
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005002	0	43	0.0	-25.79	330.15	7.84	-17.95
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012005003	0	41	0.0	-29.28	328.52	6.42	-22.86
COC1=CC=C2SC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CC2=C1	REAL300012005004	0	38	0.0	-26.56	339.45	6.85	-19.71
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012005005	0	47	0.0	-34.63	383.52	7.77	-26.86
CCN1CCC2=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CC=C21	REAL300012005006	0	43	0.0	-26.35	351.82	6.65	-19.70
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012005007	0	44	0.0	-34.38	364.05	6.84	-27.54
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=NN1C(C)C	REAL300012005008	0	40	0.0	-31.64	336.48	5.19	-26.45
CSC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1Cl	REAL300012005009	0	35	0.0	-29.21	326.40	7.45	-21.76
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012005010	0	41	0.0	-24.75	338.22	8.60	-16.15
CCOC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=N1	REAL300012005011	0	37	0.0	-26.11	320.12	3.63	-22.48
CC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1C1CC1	REAL300012005012	0	41	0.0	-25.16	338.95	8.65	-16.51
CC1=NN(C2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C(C)=C2)C=C1	REAL300012005013	0	44	0.0	-32.74	371.36	7.82	-24.92
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012005014	0	37	0.0	-27.72	343.72	7.90	-19.82
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005015	0	41	0.0	-30.38	363.90	7.72	-22.66
CCC1=CC(Br)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])S1	REAL300012005016	0	34	0.0	-23.80	325.56	7.26	-16.54
CC1=NN(C2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=C2)C=C1Cl	REAL300012005017	0	41	0.0	-31.83	369.43	8.31	-23.52
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])O2)N1	REAL300012005018	0	38	0.0	-37.50	344.28	4.29	-33.21
COCCOC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])O1	REAL300012005019	0	39	0.0	-33.68	344.93	4.24	-29.44
CC(C)(C[NH2+]C(CC1=NSN=C1)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012005020	0	40	0.0	-31.88	345.04	7.82	-24.06
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005021	0	43	0.0	-28.53	355.96	6.34	-22.19
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012005022	0	31	0.0	-26.23	310.54	7.14	-19.09
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=C1	REAL300012005023	0	47	0.0	-25.46	384.26	9.85	-15.61
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012005024	0	38	0.0	-29.23	327.15	6.00	-23.23
COC1=CC=CC(C2=CSC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=N2)=C1	REAL300012005025	0	41	0.0	-30.65	365.07	6.09	-24.56
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012005026	0	51	0.0	-33.15	422.27	5.91	-27.24
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005027	0	43	0.0	-31.58	364.59	5.34	-26.24
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012005028	0	48	0.0	-30.67	388.05	7.97	-22.70
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005029	0	38	0.0	-28.24	324.84	5.68	-22.56
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005030	0	41	0.0	-33.94	347.03	8.41	-25.53
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012005031	0	35	0.0	-28.92	328.82	4.14	-24.78
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012005032	0	41	0.0	-26.98	343.46	2.44	-24.54
COC1=NC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1F	REAL300012005033	0	34	0.0	-32.93	303.86	2.74	-30.19
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012005034	0	31	0.0	-25.09	303.37	6.27	-18.82
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012005035	0	31	0.0	-24.54	303.37	6.72	-17.82
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012005036	0	31	0.0	-37.26	293.08	5.45	-31.81
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012005037	0	43	0.0	-29.66	359.64	7.05	-22.61
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012005038	0	40	0.0	-27.77	350.66	6.36	-21.41
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])CC1	REAL300012005039	0	51	0.0	-38.98	399.39	6.52	-32.46
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005040	0	33	0.0	-21.00	299.75	5.21	-15.79
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012005041	0	37	0.0	-34.39	346.40	3.95	-30.44
CC1OC2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=C2C1C	REAL300012005042	0	42	0.0	-27.93	345.92	7.13	-20.80
CC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OC(F)F	REAL300012005043	0	38	0.0	-26.08	331.85	6.35	-19.73
CC1=NC(Cl)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1Br	REAL300012005044	0	33	0.0	-22.95	319.20	5.78	-17.17
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005045	0	43	0.0	-26.58	346.81	7.98	-18.60
CN1N=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012005046	1	37	0.0	-35.50	326.79	0.79	-34.71
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012005047	0	34	0.0	-32.28	313.42	3.35	-28.93
CC(C)CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])N=N1	REAL300012005048	0	39	0.0	-26.39	332.01	4.88	-21.51
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012005049	0	34	0.0	-26.48	309.37	4.65	-21.83
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012005050	0	31	0.0	-33.22	296.76	2.83	-30.39
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012005051	0	36	0.0	-28.92	307.05	5.83	-23.09
CN1C=C(Cl)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=N1	REAL300012005052	1	31	0.0	-30.50	295.14	3.70	-26.80
CS(=O)(=O)C1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=CS1	REAL300012005053	1	34	0.0	-38.85	316.57	2.84	-36.01
CSC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005054	0	35	0.0	-28.47	312.73	7.04	-21.43
CC(C)C1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])N(C)N=C1	REAL300012005055	0	40	0.0	-28.91	333.88	4.86	-24.05
CC1=C(Br)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C(C)S1	REAL300012005056	0	34	0.0	-20.12	316.31	6.82	-13.30
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012005057	0	41	0.0	-33.47	355.20	6.49	-26.98
CCCN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=N1	REAL300012005058	0	40	0.0	-28.88	337.94	6.04	-22.84
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012005059	0	33	0.0	-34.46	298.32	4.21	-30.25
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012005060	0	38	0.0	-23.81	337.70	8.28	-15.53
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012005061	0	39	0.0	-30.94	334.91	6.42	-24.52
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012005062	0	35	0.0	-27.72	327.23	5.30	-22.42
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012005063	0	37	0.0	-28.95	342.39	7.86	-21.09
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=C1	REAL300012005064	0	44	0.0	-33.08	368.73	8.43	-24.65
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=C2)C=N1	REAL300012005065	0	44	0.0	-31.94	370.25	9.64	-22.30
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005066	0	38	0.0	-36.54	327.67	4.26	-32.28
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012005067	0	45	0.0	-24.45	366.17	10.01	-14.44
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005069	0	41	0.0	-36.07	349.16	5.10	-30.97
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012005070	0	37	0.0	-24.11	324.52	7.17	-16.94
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012005071	0	38	0.0	-28.00	319.63	4.93	-23.07
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005072	0	41	0.0	-30.83	353.34	6.53	-24.30
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005073	0	42	0.0	-25.09	342.59	6.48	-18.61
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012005074	0	34	0.0	-29.78	333.52	7.60	-22.18
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012005075	0	34	0.0	-28.27	313.47	5.06	-23.21
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012005076	0	41	0.0	-27.46	348.46	7.53	-19.93
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005078	0	34	0.0	-29.46	313.83	3.18	-26.28
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012005079	0	34	0.0	-34.14	304.61	4.68	-29.46
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012005080	0	34	0.0	-28.63	311.52	6.36	-22.27
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012005081	0	39	0.0	-27.08	318.65	6.03	-21.05
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005082	0	38	0.0	-27.00	340.27	6.22	-20.78
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012005083	0	35	0.0	-29.20	311.92	3.35	-25.85
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012005084	0	38	0.0	-35.29	338.08	5.39	-29.90
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012005085	0	38	0.0	-24.55	316.80	6.85	-17.70
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012005086	0	33	0.0	-32.28	305.80	6.73	-25.55
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012005087	0	44	0.0	-26.18	357.17	7.08	-19.10
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012005088	0	38	0.0	-28.73	348.23	6.93	-21.80
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012005089	0	31	0.0	-27.91	306.29	6.12	-21.79
CN(CCO)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=N1	REAL300012005090	0	42	0.0	-27.31	350.77	3.55	-23.76
COC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012005091	0	47	0.0	-25.09	367.00	7.15	-17.94
CN1C=C(Br)N=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005092	0	31	0.0	-33.71	293.86	4.87	-28.84
COC1=CC(C)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=N1	REAL300012005093	0	37	0.0	-30.06	315.85	2.73	-27.33
COC1=CC(C)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1O	REAL300012005094	0	39	0.0	-26.22	322.51	3.60	-22.62
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012005095	0	37	0.0	-41.02	330.30	4.54	-36.48
CN1C(=O)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012005096	0	40	0.0	-39.23	340.88	6.21	-33.02
COC1=NC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1C	REAL300012005097	0	37	0.0	-32.34	320.84	2.80	-29.54
CC1=CC(C)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=C1Br	REAL300012005098	0	40	0.0	-26.41	344.95	7.63	-18.78
O=C([O-])C(CC1=NSN=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012005099	0	38	0.0	-32.62	329.62	5.97	-26.65
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012005100	0	44	0.0	-24.68	362.31	9.51	-15.17
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012005101	0	41	0.0	-32.75	371.88	6.27	-26.48
CCC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=NN1CC	REAL300012005102	0	40	0.0	-30.56	335.05	5.40	-25.16
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012005103	0	31	0.0	-30.67	302.49	6.05	-24.62
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005104	0	48	0.0	-29.57	394.32	6.28	-23.29
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012005105	0	35	0.0	-32.73	317.93	4.99	-27.74
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012005106	0	34	0.0	-32.89	315.03	5.29	-27.60
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005107	0	37	0.0	-27.94	324.40	7.51	-20.43
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012005108	0	37	0.0	-27.69	335.44	6.81	-20.88
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=N1	REAL300012005109	0	38	0.0	-31.13	336.09	3.19	-27.94
CCCN1N=C(C)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1Cl	REAL300012005110	0	40	0.0	-25.91	353.97	6.30	-19.61
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])S1	REAL300012005111	0	37	0.0	-34.42	342.37	4.81	-29.61
COC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005112	0	35	0.0	-30.84	328.43	5.44	-25.40
N#CC1=CC(F)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(Br)=C1	REAL300012005113	0	32	0.0	-27.10	316.68	6.93	-20.17
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012005114	0	31	0.0	-33.02	292.93	5.68	-27.34
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012005115	0	38	0.0	-30.59	341.26	7.92	-22.67
CC(C)(C)C1=NNC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005116	0	40	0.0	-31.29	337.68	4.32	-26.97
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012005117	0	37	0.0	-27.70	331.22	8.06	-19.64
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012005118	0	31	0.0	-24.04	312.50	7.14	-16.90
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012005119	0	48	0.0	-25.33	383.10	8.25	-17.08
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012005120	0	42	0.0	-27.82	376.62	9.34	-18.48
C=CCC1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005121	0	38	0.0	-27.53	322.83	7.35	-20.18
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012005122	0	51	0.0	-27.25	404.62	8.95	-18.30
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=C2)=C1	REAL300012005123	0	46	0.0	-34.62	393.88	7.65	-26.97
CCN1CCCC2=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=CC=C21	REAL300012005124	0	46	0.0	-25.84	361.73	7.17	-18.67
COCC1=CN=C(OC)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005125	0	41	0.0	-31.15	355.59	2.04	-29.11
CN1N=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1Br	REAL300012005126	0	31	0.0	-27.20	296.27	3.62	-23.58
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012005127	0	46	0.0	-29.79	391.81	8.81	-20.98
COC1=C(Br)C=CC(F)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005128	0	35	0.0	-27.96	330.92	5.55	-22.41
COCC1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005129	0	38	0.0	-28.21	322.17	5.32	-22.89
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012005130	0	44	0.0	-25.19	381.14	10.72	-14.47
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012005131	0	35	0.0	-28.08	328.91	7.48	-20.60
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012005132	0	44	0.0	-29.15	365.70	6.70	-22.45
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012005133	0	39	0.0	-26.21	324.90	6.07	-20.14
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012005134	0	37	0.0	-31.67	336.24	7.63	-24.04
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012005135	0	37	0.0	-33.57	328.16	3.58	-29.99
COC1=CC=C(F)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1OC	REAL300012005136	0	39	0.0	-25.53	335.50	5.27	-20.26
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=N1	REAL300012005137	0	38	0.0	-34.23	336.29	3.41	-30.82
CC1=CC=C(F)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1Br	REAL300012005138	0	34	0.0	-23.16	312.60	7.08	-16.08
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012005139	0	54	0.0	-25.65	425.72	9.71	-15.94
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012005140	0	45	0.0	-28.15	372.11	8.38	-19.77
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005141	0	37	0.0	-33.27	314.09	6.93	-26.34
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OCCO	REAL300012005142	0	43	0.0	-32.21	363.15	3.02	-29.19
CCN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012005143	0	41	0.0	-28.22	346.69	6.80	-21.42
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1OCCO	REAL300012005144	0	43	0.0	-32.08	364.49	3.06	-29.02
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012005145	0	41	0.0	-30.12	360.62	4.43	-25.69
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005146	0	39	0.0	-26.24	312.11	5.58	-20.66
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012005147	0	36	0.0	-28.60	312.19	6.47	-22.13
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012005148	0	50	0.0	-31.08	410.20	6.65	-24.43
CC1=CC2=CC=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=C2O1	REAL300012005149	0	37	0.0	-27.92	324.93	6.64	-21.28
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012005150	0	34	0.0	-37.32	307.35	6.50	-30.82
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012005151	0	38	0.0	-33.39	350.59	6.27	-27.12
COC1=CSC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1OC	REAL300012005152	0	36	0.0	-28.57	324.85	3.63	-24.94
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012005153	0	37	0.0	-29.98	319.06	5.53	-24.45
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012005154	0	40	0.0	-29.46	368.52	7.73	-21.73
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012005155	0	34	0.0	-25.49	315.30	5.13	-20.36
CS(=O)(=O)C1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])SC=C1	REAL300012005156	0	34	0.0	-31.70	312.31	2.54	-29.16
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005157	0	34	0.0	-35.84	316.32	1.61	-34.23
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012005158	0	34	0.0	-28.54	319.98	6.52	-22.02
CC(C)OC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1F	REAL300012005159	0	41	0.0	-30.75	346.68	6.91	-23.84
CCN1C=C(Cl)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=N1	REAL300012005160	1	34	0.0	-25.10	312.15	5.04	-20.06
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012005161	0	31	0.0	-24.63	299.11	6.62	-18.01
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012005162	0	34	0.0	-27.77	303.37	6.85	-20.92
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012005163	0	37	0.0	-27.69	326.20	7.74	-19.95
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005164	0	34	0.0	-35.29	325.77	2.02	-33.27
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012005165	0	28	0.0	-27.46	279.54	5.59	-21.87
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012005166	0	41	0.0	-32.35	343.40	5.97	-26.38
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012005167	0	38	0.0	-27.84	346.76	7.72	-20.12
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005168	0	44	0.0	-26.27	359.29	7.07	-19.20
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012005169	0	34	0.0	-31.31	309.66	4.17	-27.14
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012005170	0	39	0.0	-26.80	356.11	7.15	-19.65
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005171	0	41	0.0	-26.96	351.93	6.71	-20.25
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012005172	0	34	0.0	-37.62	317.22	6.97	-30.65
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012005173	0	31	0.0	-27.28	311.49	6.39	-20.89
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012005174	0	30	0.0	-25.57	287.05	4.63	-20.94
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012005175	0	38	0.0	-29.12	337.75	7.31	-21.81
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005176	0	38	0.0	-28.51	328.20	3.54	-24.97
COC1=NC(C)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=C1Cl	REAL300012005177	0	40	0.0	-26.20	346.79	4.26	-21.94
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005178	0	40	0.0	-29.11	350.61	5.82	-23.29
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012005179	0	38	0.0	-24.04	319.40	5.67	-18.37
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012005180	0	34	0.0	-26.74	308.58	4.85	-21.89
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012005181	0	35	0.0	-36.59	321.61	4.93	-31.66
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005182	0	47	0.0	-29.16	380.00	7.12	-22.04
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012005183	0	42	0.0	-26.95	346.61	4.63	-22.32
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005184	0	45	0.0	-28.45	367.51	5.25	-23.20
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012005185	0	36	0.0	-27.12	334.58	6.55	-20.57
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012005186	0	41	0.0	-30.98	339.30	5.76	-25.22
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005187	0	33	0.0	-34.93	319.30	-0.57	-35.50
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012005188	0	30	0.0	-21.95	295.29	5.01	-16.94
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012005189	0	46	0.0	-35.64	378.65	5.54	-30.10
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005190	0	44	0.0	-28.81	359.71	6.48	-22.33
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012005191	0	34	0.0	-31.97	298.74	6.44	-25.53
CC1=CC(Br)=C(F)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005192	0	34	0.0	-31.82	320.06	6.73	-25.09
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012005193	0	31	0.0	-23.95	312.65	7.14	-16.81
COC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1Br	REAL300012005194	0	35	0.0	-25.82	318.43	5.31	-20.51
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012005195	0	34	0.0	-33.99	298.76	4.73	-29.26
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012005196	0	31	0.0	-23.82	298.22	6.59	-17.23
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])=C2)C=N1	REAL300012005197	0	41	0.0	-31.72	352.64	7.31	-24.41
COC1=CC(F)=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1Br	REAL300012005198	0	35	0.0	-25.32	326.96	6.03	-19.29
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012005199	0	41	0.0	-34.34	357.76	8.39	-25.95
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005200	0	34	0.0	-28.80	309.67	6.66	-22.14
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005201	0	36	0.0	-30.18	323.24	5.22	-24.96
COC1=NC2=CC=C(C[NH2+]C(CC3=NSN=C3)C(=O)[O-])C=C2S1	REAL300012005202	0	37	0.0	-29.30	335.60	3.80	-25.50
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012005203	0	30	0.0	-29.83	287.54	4.71	-25.12
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012005204	0	31	0.0	-28.70	305.51	6.39	-22.31
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005205	0	33	0.0	-28.34	296.03	5.16	-23.18
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005206	0	47	0.0	-27.70	384.30	8.36	-19.34
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012005207	0	31	0.0	-30.81	316.40	6.60	-24.21
COC1=CC(Cl)=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005208	0	35	0.0	-26.78	318.75	5.84	-20.94
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012005209	0	34	0.0	-28.18	325.14	6.76	-21.42
COC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CC(F)=C1F	REAL300012005210	0	35	0.0	-29.69	314.53	5.46	-24.23
COC1=CC(C)=NC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005211	0	37	0.0	-26.66	316.44	4.19	-22.47
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005212	0	38	0.0	-33.03	332.50	3.64	-29.39
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012005213	0	37	0.0	-24.78	320.37	6.38	-18.40
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1C	REAL300012005214	0	41	0.0	-32.35	356.25	5.15	-27.20
CC(C)OC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])O1	REAL300012005215	0	38	0.0	-31.62	331.60	5.72	-25.90
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005216	0	37	0.0	-23.26	321.71	7.54	-15.72
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012005217	0	32	0.0	-30.14	307.70	3.20	-26.94
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012005218	0	34	0.0	-25.87	311.27	5.04	-20.83
N#CC1=CC(F)=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005219	0	32	0.0	-30.53	298.46	6.44	-24.09
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012005220	0	47	0.0	-25.27	374.37	9.84	-15.43
COC1=CC=CC=C1C=CC[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005221	0	39	0.0	-29.47	330.61	6.64	-22.83
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])SC(Br)=C1	REAL300012005222	0	31	0.0	-29.43	306.11	5.90	-23.53
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005223	0	41	0.0	-28.80	341.36	5.78	-23.02
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012005224	0	37	0.0	-28.47	326.79	5.44	-23.03
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012005225	0	39	0.0	-29.27	340.38	6.33	-22.94
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005226	0	40	0.0	-21.61	352.62	6.22	-15.39
CC(C)N1C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300012005227	0	43	0.0	-31.42	369.31	8.07	-23.35
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005228	0	38	0.0	-30.94	336.57	4.66	-26.28
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012005229	0	44	0.0	-26.48	373.99	10.45	-16.03
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012005230	0	47	0.0	-34.17	392.18	7.28	-26.89
COC1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=N1	REAL300012005231	0	37	0.0	-27.14	311.32	3.21	-23.93
CCN(C)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C)=C1	REAL300012005232	0	45	0.0	-28.03	363.81	7.46	-20.57
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012005233	0	30	0.0	-28.11	297.18	4.51	-23.60
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012005234	0	28	0.0	-26.43	295.83	5.48	-20.95
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005235	0	52	0.0	-26.40	404.69	7.67	-18.73
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005236	0	42	0.0	-27.96	352.09	4.83	-23.13
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012005237	0	35	0.0	-28.76	334.53	6.37	-22.39
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012005238	0	41	0.0	-28.24	359.77	8.81	-19.43
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012005239	0	34	0.0	-27.25	309.44	7.39	-19.86
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012005240	0	40	0.0	-28.83	340.61	7.65	-21.18
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005241	0	53	0.0	-28.24	431.40	10.93	-17.31
CC(C)(C)C1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=NO1	REAL300012005242	0	39	0.0	-22.77	312.41	5.90	-16.87
CC1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1C(F)(F)F	REAL300012005243	0	37	0.0	-33.96	318.45	7.02	-26.94
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012005244	0	34	0.0	-32.94	297.44	4.69	-28.25
CCC(C)C1=CC=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=C1	REAL300012005245	0	43	0.0	-25.35	351.18	8.62	-16.73
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012005246	0	33	0.0	-27.10	316.45	5.34	-21.76
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012005247	0	36	0.0	-29.39	338.60	5.78	-23.61
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012005248	0	38	0.0	-32.17	332.40	4.00	-28.17
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012005249	0	34	0.0	-25.27	331.17	8.17	-17.10
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005250	0	44	0.0	-23.31	369.58	8.48	-14.83
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=N1	REAL300012005251	0	36	0.0	-24.31	320.29	5.93	-18.38
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012005252	0	31	0.0	-31.78	306.51	6.18	-25.60
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012005253	0	31	0.0	-23.31	311.87	7.10	-16.21
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012005254	0	41	0.0	-27.49	331.04	7.85	-19.64
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012005255	0	33	0.0	-31.53	320.69	7.27	-24.26
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005256	0	38	0.0	-27.24	333.01	7.93	-19.31
COC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=CC(Br)=C1F	REAL300012005257	0	35	0.0	-28.26	327.51	6.05	-22.21
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012005258	0	34	0.0	-29.26	319.18	6.51	-22.75
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012005259	0	37	0.0	-36.78	324.88	5.94	-30.84
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012005260	0	40	0.0	-28.69	331.33	8.18	-20.51
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005261	0	49	0.0	-27.83	398.73	7.06	-20.77
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012005262	0	37	0.0	-25.28	335.75	8.76	-16.52
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005263	0	39	0.0	-27.18	332.07	5.40	-21.78
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012005264	0	44	0.0	-27.35	360.12	3.03	-24.32
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005265	0	43	0.0	-25.63	359.65	4.65	-20.98
CCCN1N=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1C	REAL300012005266	0	40	0.0	-31.68	338.22	5.27	-26.41
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012005267	0	48	0.0	-25.99	385.36	7.67	-18.32
O=C([O-])C(CC1=NSN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012005268	0	45	0.0	-26.54	386.05	8.88	-17.66
CC1=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012005269	0	39	0.0	-23.74	324.81	7.01	-16.73
CC1=CC(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012005270	0	40	0.0	-29.86	343.32	7.32	-22.54
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1	REAL300012005271	0	38	0.0	-31.84	334.79	5.52	-26.32
COC1=CC=C(Br)C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])=C1O	REAL300012005272	0	36	0.0	-24.66	327.99	3.67	-20.99
CCCN1N=C(C)C=C1C[NH2+]C(CC1=NSN=C1)C(=O)[O-]	REAL300012005273	0	40	0.0	-28.35	336.84	5.37	-22.98
CN1C=C(C[NH2+]C(CC2=NSN=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012005274	0	41	0.0	-27.85	340.58	6.35	-21.50
CC1=CC=C(N2C=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012005276	0	54	0.0	-28.01	412.92	9.12	-18.89
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012005277	0	50	0.0	-32.72	410.94	8.28	-24.44
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005278	0	42	0.0	-28.00	368.82	7.12	-20.88
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012005279	0	49	0.0	-32.67	407.82	8.68	-23.99
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005280	0	44	0.0	-30.23	348.56	6.43	-23.80
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012005281	0	39	0.0	-32.11	324.58	3.81	-28.30
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Br)O1	REAL300012005282	0	29	0.0	-25.27	272.87	3.97	-21.30
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=C2)C=C1	REAL300012005283	0	50	0.0	-33.17	411.91	6.42	-26.75
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(NC(=O)C2=CC=CC=C2Cl)=CC=C1	REAL300012005284	0	46	0.0	-38.58	396.95	6.61	-31.97
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005285	0	42	0.0	-32.63	350.82	5.90	-26.73
N#CCCN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012005286	0	46	0.0	-37.43	394.20	6.64	-30.79
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OC(F)F	REAL300012005287	0	40	0.0	-30.20	337.61	4.54	-25.66
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012005288	0	48	0.0	-28.05	399.35	7.85	-20.20
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1	REAL300012005289	0	39	0.0	-25.97	350.64	7.57	-18.40
CCOC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC(Br)=C1OC	REAL300012005290	0	43	0.0	-31.34	375.37	5.97	-25.37
CCOC1=C(Br)C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005291	0	43	0.0	-29.11	375.39	6.01	-23.10
CCCOC1=CC=C(Br)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005292	0	42	0.0	-29.67	366.45	5.84	-23.83
CCOC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OC	REAL300012005293	0	43	0.0	-31.32	351.03	5.22	-26.10
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012005294	0	46	0.0	-30.31	380.27	8.46	-21.85
CCCCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005295	0	48	0.0	-31.83	389.53	6.73	-25.10
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012005296	0	41	0.0	-30.98	357.55	7.62	-23.36
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012005297	0	41	0.0	-31.27	358.85	7.66	-23.61
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1Br	REAL300012005298	0	36	0.0	-31.03	319.03	5.03	-26.00
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005299	0	42	0.0	-27.84	336.97	5.99	-21.85
CCCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005300	0	49	0.0	-31.18	394.04	6.81	-24.37
CCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005301	0	46	0.0	-30.33	371.21	5.98	-24.35
C=CCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005302	0	44	0.0	-31.43	363.93	5.81	-25.62
CCCCCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005303	0	55	0.0	-31.07	437.04	8.37	-22.70
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012005304	0	39	0.0	-25.98	346.08	7.47	-18.51
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012005305	0	39	0.0	-27.22	347.51	7.55	-19.67
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1	REAL300012005306	0	39	0.0	-26.89	351.97	7.61	-19.28
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012005307	0	39	0.0	-26.22	353.69	8.36	-17.86
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012005308	0	42	0.0	-33.05	353.37	6.73	-26.32
CCC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012005309	0	41	0.0	-31.83	342.11	6.01	-25.82
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012005310	0	41	0.0	-32.52	353.44	8.24	-24.28
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012005311	0	51	0.0	-36.38	414.70	5.20	-31.18
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012005312	0	38	0.0	-25.76	341.68	5.96	-19.80
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012005313	0	36	0.0	-29.78	313.68	4.93	-24.85
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012005314	0	36	0.0	-33.02	328.75	5.57	-27.45
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012005315	0	39	0.0	-29.31	332.35	1.80	-27.51
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(Cl)=C1	REAL300012005316	0	36	0.0	-27.86	314.52	3.83	-24.03
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012005317	0	36	0.0	-32.81	318.35	3.90	-28.91
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012005318	0	41	0.0	-31.72	366.47	8.56	-23.16
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012005319	0	41	0.0	-38.52	366.53	7.50	-31.02
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012005320	0	39	0.0	-33.37	331.01	3.87	-29.50
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005321	0	42	0.0	-32.18	346.01	4.47	-27.71
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012005322	0	36	0.0	-29.11	312.28	3.31	-25.80
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005323	0	43	0.0	-32.57	354.04	3.10	-29.47
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012005324	0	35	0.0	-30.39	310.56	5.52	-24.87
CCOC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012005325	0	51	0.0	-29.87	408.54	4.66	-25.21
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012005326	0	38	0.0	-32.44	318.39	4.59	-27.85
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])O2)C=C1	REAL300012005327	1	42	0.0	-25.82	350.76	7.63	-18.19
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=COC=N2)C(=O)[O-])O1	REAL300012005328	0	39	0.0	-35.47	334.91	3.08	-32.39
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012005329	0	38	0.0	-31.68	325.02	2.24	-29.44
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012005330	0	45	0.0	-33.05	367.43	3.98	-29.07
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012005331	0	47	0.0	-33.90	382.00	4.75	-29.15
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012005332	0	39	0.0	-26.71	343.37	7.91	-18.80
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012005333	0	45	0.0	-28.58	373.55	5.68	-22.90
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005334	0	41	0.0	-35.62	344.56	3.14	-32.48
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012005335	0	39	0.0	-35.21	332.02	5.35	-29.86
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012005336	0	38	0.0	-36.95	326.96	6.67	-30.28
CC(C)N1N=CC2=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=C(Cl)N=C21	REAL300012005337	0	43	0.0	-27.04	369.26	6.22	-20.82
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012005338	0	39	0.0	-31.53	357.10	7.40	-24.13
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012005339	0	49	0.0	-34.00	404.50	6.46	-27.54
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012005340	0	39	0.0	-32.07	349.55	7.06	-25.01
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012005341	0	35	0.0	-29.80	320.98	5.54	-24.26
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012005342	0	35	0.0	-33.48	314.76	6.16	-27.32
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012005343	0	32	0.0	-28.40	303.09	5.10	-23.30
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012005344	0	35	0.0	-37.07	307.35	5.24	-31.83
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012005345	0	32	0.0	-35.91	292.67	4.33	-31.58
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012005346	0	35	0.0	-29.52	315.56	6.17	-23.35
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012005347	0	35	0.0	-32.38	315.92	5.17	-27.21
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(Cl)=C1OC	REAL300012005348	0	40	0.0	-29.66	346.94	3.88	-25.78
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012005349	0	35	0.0	-33.27	311.05	5.68	-27.59
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005350	0	48	0.0	-27.58	404.44	8.35	-19.23
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012005351	0	36	0.0	-31.74	328.29	4.29	-27.45
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012005352	0	39	0.0	-33.71	356.10	7.36	-26.35
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=C2)=C1	REAL300012005353	0	47	0.0	-34.83	402.58	8.77	-26.06
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012005354	0	42	0.0	-32.24	348.90	3.47	-28.77
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012005355	0	43	0.0	-34.31	370.60	5.69	-28.62
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012005356	0	45	0.0	-35.23	379.82	5.65	-29.58
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012005357	0	38	0.0	-29.89	335.29	4.93	-24.96
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=C2OCCCOC2=C1	REAL300012005358	0	41	0.0	-30.65	353.72	5.70	-24.95
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012005359	0	42	0.0	-31.86	369.97	7.27	-24.59
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005360	0	41	0.0	-29.73	352.45	4.05	-25.68
COCCOC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005361	0	43	0.0	-32.58	355.43	4.60	-27.98
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1Cl	REAL300012005362	0	36	0.0	-31.82	315.96	4.96	-26.86
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012005363	0	37	0.0	-27.93	330.69	4.03	-23.90
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=N1	REAL300012005365	0	48	0.0	-40.68	390.46	4.03	-36.65
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012005366	0	39	0.0	-32.12	340.05	5.75	-26.37
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012005367	0	38	0.0	-30.49	316.53	3.35	-27.14
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012005368	0	41	0.0	-29.47	330.71	5.06	-24.41
CCCOC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005370	0	42	0.0	-29.91	343.30	6.13	-23.78
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012005371	0	39	0.0	-31.68	338.39	6.68	-25.00
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012005372	0	46	0.0	-30.07	366.43	6.30	-23.77
CC(C)OC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005373	0	42	0.0	-28.02	339.72	5.96	-22.06
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012005374	0	45	0.0	-39.05	384.79	5.99	-33.06
CC1=CC=C(C2=NC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CS2)C=C1	REAL300012005375	0	41	0.0	-25.20	356.68	6.57	-18.63
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012005376	0	46	0.0	-30.40	385.44	8.55	-21.85
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012005377	0	42	0.0	-26.27	366.86	5.40	-20.87
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012005378	0	41	0.0	-26.24	373.96	6.90	-19.34
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1	REAL300012005379	0	42	0.0	-26.57	383.60	5.93	-20.64
CC1=CC=C(OCC2=NC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CS2)C=C1	REAL300012005380	0	45	0.0	-35.62	389.36	5.04	-30.58
COC1=CC=C(OCC2=NC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CS2)C=C1	REAL300012005381	0	46	0.0	-27.54	396.37	4.70	-22.84
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012005383	0	35	0.0	-24.23	324.99	4.79	-19.44
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012005384	0	39	0.0	-35.71	347.94	6.99	-28.72
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005385	0	46	0.0	-41.36	376.98	6.00	-35.36
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012005386	0	46	0.0	-27.69	365.23	6.34	-21.35
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005387	0	49	0.0	-30.44	402.94	4.95	-25.49
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])S2)C=C1	REAL300012005388	0	42	0.0	-26.66	359.69	8.56	-18.10
COC1=CC(OC2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C2)=CC(OC)=C1	REAL300012005389	0	51	0.0	-35.33	420.02	5.56	-29.77
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012005390	0	38	0.0	-36.73	338.44	4.40	-32.33
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005391	0	36	0.0	-28.38	335.91	4.57	-23.81
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012005392	0	32	0.0	-28.38	307.66	5.20	-23.18
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012005393	0	32	0.0	-27.79	306.68	5.20	-22.59
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012005394	0	43	0.0	-33.19	376.92	7.20	-25.99
CCOC1=C(OC)C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005395	0	47	0.0	-35.58	387.43	4.20	-31.38
COCCCOC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005396	0	46	0.0	-31.29	375.65	5.16	-26.13
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005397	0	40	0.0	-32.52	341.03	3.05	-29.47
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(Br)=C1OC(F)F	REAL300012005398	0	36	0.0	-28.28	324.88	5.28	-23.00
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012005399	0	36	0.0	-29.08	325.63	4.19	-24.89
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012005400	0	52	0.0	-31.75	424.70	9.94	-21.81
CC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012005401	0	45	0.0	-30.67	372.28	6.77	-23.90
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012005402	0	50	0.0	-39.19	410.43	6.35	-32.84
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])S2)C=C1	REAL300012005403	0	41	0.0	-31.86	357.95	5.77	-26.09
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012005404	0	37	0.0	-29.42	326.90	6.15	-23.27
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012005405	0	37	0.0	-29.76	319.04	4.71	-25.05
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012005406	0	37	0.0	-28.78	315.28	5.67	-23.11
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012005407	0	37	0.0	-28.79	326.57	5.06	-23.73
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012005408	0	39	0.0	-28.02	343.84	7.12	-20.90
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])O1	REAL300012005409	0	42	0.0	-26.00	356.22	7.70	-18.30
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])O2)C=C1	REAL300012005410	1	45	0.0	-34.57	376.81	7.47	-27.10
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(OC(F)F)=C1	REAL300012005411	0	40	0.0	-32.12	339.70	3.03	-29.09
COC1=CC=C2OC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CC2=C1	REAL300012005412	0	39	0.0	-27.78	326.46	4.87	-22.91
O=C([O-])C(CC1=COC=N1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012005413	0	36	0.0	-30.04	318.19	6.92	-23.12
CC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012005414	0	38	0.0	-32.55	320.62	5.24	-27.31
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012005415	0	40	0.0	-34.96	340.44	5.90	-29.06
CC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1Br	REAL300012005416	0	35	0.0	-26.22	309.92	6.29	-19.93
O=C([O-])C(CC1=COC=N1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012005417	0	36	0.0	-33.65	313.40	6.50	-27.15
CC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1Br	REAL300012005418	0	35	0.0	-27.83	309.94	6.29	-21.54
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012005419	0	39	0.0	-27.23	329.32	6.22	-21.01
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012005420	0	37	0.0	-29.97	326.15	4.49	-25.48
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012005421	0	36	0.0	-35.43	310.74	4.12	-31.31
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012005422	0	36	0.0	-33.77	311.96	4.16	-29.61
CC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012005423	0	40	0.0	-29.99	331.69	6.29	-23.70
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012005424	0	34	0.0	-33.27	304.21	3.58	-29.69
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])O2)C=C1	REAL300012005425	1	51	0.0	-25.39	405.46	9.27	-16.12
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005426	0	52	0.0	-28.70	402.91	7.05	-21.65
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005427	0	52	0.0	-29.22	414.33	7.32	-21.90
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C2C)=C1	REAL300012005428	0	55	0.0	-32.48	449.13	9.67	-22.81
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1C	REAL300012005429	0	55	0.0	-32.18	443.88	9.70	-22.48
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005430	0	50	0.0	-32.65	408.52	8.92	-23.73
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005431	0	48	0.0	-31.67	407.89	7.09	-24.58
CCN(CC)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1F	REAL300012005432	0	46	0.0	-30.50	368.38	6.12	-24.38
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C(SC)C=C1OC	REAL300012005433	0	44	0.0	-31.10	367.97	4.27	-26.83
COC1=CC=C2N=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])SC2=C1	REAL300012005434	0	38	0.0	-30.21	332.08	3.92	-26.29
CN1C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=NC2=CC=C(Cl)C=C21	REAL300012005435	0	38	0.0	-24.22	331.81	5.89	-18.33
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1C#N	REAL300012005436	0	37	0.0	-37.45	320.14	4.82	-32.63
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012005437	0	36	0.0	-34.06	323.49	5.41	-28.65
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005438	0	38	0.0	-28.39	320.43	5.60	-22.79
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012005439	0	36	0.0	-31.46	314.59	4.71	-26.75
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005440	0	38	0.0	-31.59	327.24	5.75	-25.84
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012005441	0	40	0.0	-28.27	347.83	4.90	-23.37
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=CC=C1OC(F)F	REAL300012005442	0	36	0.0	-31.72	332.85	4.40	-27.32
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005443	0	48	0.0	-29.91	413.93	7.31	-22.60
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OCC(C)C	REAL300012005444	0	49	0.0	-30.83	392.63	6.70	-24.13
CCCOC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OC	REAL300012005445	0	46	0.0	-30.35	371.21	5.98	-24.37
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Br)S1	REAL300012005446	0	29	0.0	-32.06	284.25	3.93	-28.13
CCOC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012005447	0	43	0.0	-31.39	370.99	5.86	-25.53
C=CCOC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005448	0	40	0.0	-30.28	334.70	5.91	-24.37
COC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1OC(C)C	REAL300012005449	0	46	0.0	-31.62	367.15	6.42	-25.20
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005450	0	43	0.0	-29.30	371.01	5.90	-23.40
CCCOC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=CC=C1OCC	REAL300012005451	0	49	0.0	-27.85	389.35	6.89	-20.96
CCCCOC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OC	REAL300012005452	0	49	0.0	-29.17	392.72	6.76	-22.41
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OCC	REAL300012005453	0	49	0.0	-30.49	413.02	7.58	-22.91
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005454	0	48	0.0	-32.52	409.70	7.77	-24.75
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC(F)F	REAL300012005455	0	40	0.0	-28.98	338.95	4.59	-24.39
CCOC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OC(F)F	REAL300012005456	0	43	0.0	-30.64	360.79	5.50	-25.14
CC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012005457	0	42	0.0	-33.37	350.90	5.16	-28.21
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-])OC(C)C2	REAL300012005458	0	47	0.0	-31.71	380.67	5.03	-26.68
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC2=C1OCCO2	REAL300012005459	0	42	0.0	-36.16	346.04	3.13	-33.03
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012005460	0	41	0.0	-29.65	364.91	6.53	-23.12
CCCCN1N=C(C)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1Cl	REAL300012005461	0	44	0.0	-28.38	375.30	5.15	-23.23
CCOC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1OC(F)F	REAL300012005462	0	43	0.0	-29.10	357.95	5.54	-23.56
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012005463	0	50	0.0	-34.41	407.91	6.30	-28.11
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012005464	0	39	0.0	-33.22	341.52	6.92	-26.30
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005465	0	46	0.0	-29.15	392.51	6.70	-22.45
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005466	0	54	0.0	-29.70	424.09	8.18	-21.52
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012005467	0	39	0.0	-29.82	344.06	7.13	-22.69
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005468	0	55	0.0	-41.05	438.91	6.69	-34.36
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012005469	0	48	0.0	-30.83	379.18	5.63	-25.20
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005470	0	44	0.0	-34.10	352.68	7.01	-27.09
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005472	0	38	0.0	-30.03	323.26	5.78	-24.25
CC1=C(C)C=C2OC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CC2=C1	REAL300012005473	0	41	0.0	-34.99	339.86	5.87	-29.12
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012005474	0	39	0.0	-32.59	341.34	4.33	-28.26
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012005475	0	39	0.0	-37.20	329.63	6.53	-30.67
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012005476	0	39	0.0	-27.63	337.75	7.07	-20.56
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012005477	0	38	0.0	-30.12	330.91	4.80	-25.32
CCCCC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012005478	0	47	0.0	-24.74	378.65	8.44	-16.30
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012005479	0	45	0.0	-33.27	376.03	9.73	-23.54
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012005480	0	47	0.0	-31.70	399.85	7.31	-24.39
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005481	0	45	0.0	-33.61	377.47	6.32	-27.29
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012005482	0	41	0.0	-30.89	349.33	5.58	-25.31
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300012005483	0	46	0.0	-30.04	394.88	8.97	-21.07
O=C([O-])C(CC1=COC=N1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012005484	0	41	0.0	-37.51	320.74	5.02	-32.49
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012005485	0	39	0.0	-36.85	347.58	5.87	-30.98
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012005486	0	38	0.0	-27.31	345.53	5.66	-21.65
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012005487	0	38	0.0	-26.88	344.60	5.46	-21.42
CCSC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005488	0	39	0.0	-30.06	332.12	6.96	-23.10
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012005489	1	33	0.0	-34.72	304.84	1.88	-32.84
CCN1N=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C2=CC=CC=C21	REAL300012005490	0	41	0.0	-26.52	342.18	5.89	-20.63
COCCC1(C[NH2+]C(CC2=COC=N2)C(=O)[O-])CCCCC1	REAL300012005491	0	48	0.0	-30.01	347.20	4.20	-25.81
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012005492	0	29	0.0	-31.67	301.41	4.45	-27.22
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012005493	0	49	0.0	-38.96	404.66	10.01	-28.95
CCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005494	0	42	0.0	-31.37	345.21	5.13	-26.24
COC1=CC=C(C2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012005495	0	45	0.0	-32.59	382.88	7.53	-25.06
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012005496	0	39	0.0	-27.41	362.55	7.96	-19.45
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005497	0	45	0.0	-29.93	392.52	6.63	-23.30
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005498	0	42	0.0	-32.46	383.42	6.63	-25.83
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012005499	1	39	0.0	-25.88	329.36	6.95	-18.93
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OC(C)C	REAL300012005500	0	46	0.0	-31.18	368.97	5.84	-25.34
CCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OCC	REAL300012005501	0	49	0.0	-30.16	393.06	6.90	-23.26
CC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012005502	0	37	0.0	-37.91	314.66	6.30	-31.61
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005503	0	45	0.0	-31.33	398.94	6.70	-24.63
CC(C)OC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005504	0	42	0.0	-32.04	341.64	4.96	-27.08
CCCCCCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005505	0	54	0.0	-31.25	431.20	8.25	-23.00
CC(C[NH2+]C(CC1=COC=N1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012005506	0	53	0.0	-28.22	403.35	9.48	-18.74
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Br)C=CS1	REAL300012005507	0	29	0.0	-26.38	280.11	4.75	-21.63
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012005508	0	45	0.0	-26.55	353.62	4.63	-21.92
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012005509	0	32	0.0	-27.82	295.02	4.71	-23.11
CC(C)CC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005510	0	44	0.0	-30.22	353.51	6.79	-23.43
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=C2)C=C1	REAL300012005511	0	45	0.0	-27.20	364.74	9.15	-18.05
COC1=CC=C(Br)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005512	0	36	0.0	-29.53	315.61	3.96	-25.57
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012005513	0	38	0.0	-32.03	324.65	5.80	-26.23
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012005514	0	32	0.0	-30.83	304.99	5.08	-25.75
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=CO1	REAL300012005515	0	29	0.0	-26.46	271.56	3.83	-22.63
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005516	0	45	0.0	-29.54	366.51	9.19	-20.35
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012005517	0	38	0.0	-29.64	348.22	7.11	-22.53
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012005518	0	36	0.0	-30.97	309.70	4.69	-26.28
CCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OCC	REAL300012005519	0	46	0.0	-31.13	372.88	6.14	-24.99
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012005520	0	35	0.0	-31.93	321.02	6.48	-25.45
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012005521	0	32	0.0	-26.63	294.21	4.68	-21.95
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012005522	0	36	0.0	-30.10	316.44	4.90	-25.20
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005523	0	46	0.0	-33.99	381.89	7.21	-26.78
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012005524	0	42	0.0	-27.65	369.71	8.00	-19.65
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C2=CC=CC=C12	REAL300012005525	0	42	0.0	-30.93	342.99	5.63	-25.30
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012005526	0	39	0.0	-31.61	332.29	4.08	-27.53
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012005526	1	39	0.0	-29.52	327.80	5.03	-24.49
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(Br)=C1O	REAL300012005528	0	37	0.0	-29.50	327.92	1.82	-27.68
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC(Br)=C1	REAL300012005529	0	29	0.0	-30.59	285.32	3.83	-26.76
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012005530	0	49	0.0	-32.64	404.47	6.45	-26.19
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300012005531	0	39	0.0	-33.43	373.39	7.90	-25.53
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300012005532	0	45	0.0	-34.29	393.64	6.15	-28.14
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012005533	0	50	0.0	-27.68	400.27	7.61	-20.07
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012005534	0	42	0.0	-31.37	346.56	7.51	-23.86
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012005535	0	45	0.0	-32.99	375.11	6.67	-26.32
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012005536	0	43	0.0	-33.85	347.59	4.05	-29.80
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012005537	0	32	0.0	-30.60	296.11	5.73	-24.87
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012005538	0	41	0.0	-33.89	342.09	6.99	-26.90
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012005539	0	41	0.0	-31.76	338.35	6.71	-25.05
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012005540	0	41	0.0	-33.87	341.76	5.76	-28.11
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005541	0	47	0.0	-32.72	366.35	4.65	-28.07
CN1CCN(C2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C2)CC1	REAL300012005542	1	49	0.0	-31.58	381.57	2.81	-28.77
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012005543	0	41	0.0	-34.97	353.69	2.59	-32.38
CNC(=O)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005544	0	39	0.0	-36.10	325.59	3.35	-32.75
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012005545	0	39	0.0	-32.59	334.36	6.34	-26.25
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005546	0	45	0.0	-33.20	387.79	6.77	-26.43
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012005547	0	39	0.0	-32.00	344.68	6.80	-25.20
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005548	0	45	0.0	-34.36	384.68	6.50	-27.86
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1	REAL300012005549	0	39	0.0	-28.98	376.20	6.03	-22.95
CC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012005550	0	51	0.0	-29.66	414.96	8.16	-21.50
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012005551	0	39	0.0	-33.58	343.28	4.79	-28.79
CCOC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012005552	0	53	0.0	-31.29	432.80	9.20	-22.09
COC1=C2OC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CC2=CC=C1	REAL300012005553	0	39	0.0	-28.21	327.81	4.92	-23.29
CC(C)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012005554	0	43	0.0	-29.52	355.47	7.61	-21.91
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012005555	0	35	0.0	-29.86	316.50	4.34	-25.52
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005556	0	48	0.0	-31.74	392.49	6.62	-25.12
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005557	0	48	0.0	-33.90	404.53	8.11	-25.79
CCOC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OCC(C)C	REAL300012005558	0	52	0.0	-30.04	413.17	7.58	-22.46
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012005559	0	32	0.0	-29.59	300.53	4.78	-24.81
COC1=CC(Br)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005560	0	40	0.0	-31.92	344.84	3.86	-28.06
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012005561	0	32	0.0	-28.27	299.21	4.76	-23.51
COC1=CC(OC)=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005562	0	40	0.0	-33.04	332.68	2.75	-30.29
COC1=CC2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C2C=C1	REAL300012005563	0	42	0.0	-28.74	344.58	6.62	-22.12
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=CS1	REAL300012005565	0	29	0.0	-29.74	283.22	3.80	-25.94
CCCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OCC	REAL300012005566	0	52	0.0	-30.18	414.57	7.68	-22.50
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005567	0	45	0.0	-27.97	364.53	7.13	-20.84
COC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1OC(F)F	REAL300012005568	0	40	0.0	-29.19	335.97	4.63	-24.56
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012005569	0	36	0.0	-26.67	329.64	5.63	-21.04
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012005570	0	52	0.0	-31.54	410.37	7.29	-24.25
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012005571	0	38	0.0	-42.23	322.70	3.15	-39.08
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012005573	0	32	0.0	-30.54	296.11	5.72	-24.82
CC1=CC=C(COC2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C2)C=C1	REAL300012005574	0	49	0.0	-33.30	406.35	8.10	-25.20
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012005575	0	47	0.0	-31.46	366.60	5.43	-26.03
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005576	0	51	0.0	-29.88	407.79	8.48	-21.40
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1SC	REAL300012005577	0	40	0.0	-30.86	339.34	5.45	-25.41
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005578	0	43	0.0	-36.82	362.83	6.61	-30.21
CCCCCOC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OC	REAL300012005579	0	52	0.0	-29.20	414.22	7.54	-21.66
CCC(C)OC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OC	REAL300012005580	0	49	0.0	-29.13	388.40	6.60	-22.53
CCCCCCCOC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005581	0	54	0.0	-29.85	429.29	9.26	-20.59
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OCCCC#N	REAL300012005582	0	47	0.0	-38.80	392.08	6.50	-32.30
C=C(C)COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OC	REAL300012005583	0	47	0.0	-31.22	383.01	6.57	-24.65
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OCCC(C)C	REAL300012005584	0	52	0.0	-30.78	411.59	7.33	-23.45
C=CCC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC(OC)=C1O	REAL300012005585	0	44	0.0	-28.87	363.99	4.21	-24.66
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012005586	0	39	0.0	-34.24	331.75	4.02	-30.22
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005587	0	41	0.0	-36.54	351.87	5.09	-31.45
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005588	0	42	0.0	-30.10	369.76	2.62	-27.48
CCOC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012005589	0	46	0.0	-34.17	392.46	6.61	-27.56
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012005592	0	45	0.0	-31.84	364.47	4.24	-27.60
CN1C=NC2=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CC=C21	REAL300012005593	0	38	0.0	-35.29	317.49	6.41	-28.88
C=CCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1Cl	REAL300012005594	0	40	0.0	-31.84	350.72	6.47	-25.37
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012005595	0	38	0.0	-32.93	338.71	5.17	-27.76
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012005596	0	44	0.0	-29.22	360.09	4.01	-25.21
CC1(C)CC2=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CC=C2O1	REAL300012005597	0	43	0.0	-29.75	347.85	6.35	-23.40
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012005598	0	38	0.0	-26.44	327.09	3.53	-22.91
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012005599	0	35	0.0	-24.62	325.58	4.89	-19.73
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005600	0	42	0.0	-32.16	346.19	4.48	-27.68
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012005601	0	35	0.0	-28.39	324.56	6.56	-21.83
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300012005602	0	35	0.0	-29.00	330.45	6.70	-22.30
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012005603	0	32	0.0	-27.74	307.69	5.20	-22.54
CC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(Br)=C1	REAL300012005604	0	35	0.0	-26.98	311.36	5.35	-21.63
CC(C)COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005605	0	45	0.0	-31.19	365.31	5.82	-25.37
COCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005606	0	43	0.0	-33.57	357.34	3.60	-29.97
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005607	0	47	0.0	-34.90	402.41	7.84	-27.06
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012005608	0	36	0.0	-31.09	325.71	5.23	-25.86
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012005609	0	40	0.0	-36.27	364.57	5.53	-30.74
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1Cl	REAL300012005610	0	42	0.0	-29.54	368.50	5.63	-23.91
COC1=CC2=C(C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-])OCO2	REAL300012005611	0	39	0.0	-32.05	326.51	2.11	-29.94
CC(C)COC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005612	0	45	0.0	-29.71	363.40	6.83	-22.88
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012005613	0	31	0.0	-28.76	286.59	3.92	-24.84
CN1N=NC2=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CC=C21	REAL300012005614	0	37	0.0	-37.38	313.09	3.51	-33.87
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=C2O1	REAL300012005615	0	43	0.0	-28.61	349.65	5.32	-23.29
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012005616	0	37	0.0	-29.95	330.72	4.59	-25.36
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012005617	0	42	0.0	-33.12	351.92	5.26	-27.86
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012005618	0	39	0.0	-35.62	327.46	6.26	-29.36
CC1=C(Br)SC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005619	0	32	0.0	-32.56	305.16	4.58	-27.98
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012005620	0	37	0.0	-28.81	330.63	5.14	-23.67
CC1=NC2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C2C=C1	REAL300012005621	0	40	0.0	-29.62	331.81	6.04	-23.58
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C2)C=C1	REAL300012005622	0	47	0.0	-34.50	391.86	6.28	-28.22
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012005623	0	34	0.0	-30.65	289.38	2.97	-27.68
CC1=CC(C2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C2)=CC(C)=C1	REAL300012005624	0	48	0.0	-32.77	390.70	8.88	-23.89
CC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012005625	0	41	0.0	-31.99	339.36	8.56	-23.43
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012005626	0	35	0.0	-27.48	304.72	5.70	-21.78
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012005627	0	39	0.0	-35.40	336.72	4.65	-30.75
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005628	0	42	0.0	-32.84	368.87	6.45	-26.39
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012005629	0	46	0.0	-32.18	388.12	8.46	-23.72
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005630	0	45	0.0	-27.68	362.04	6.94	-20.74
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012005631	0	43	0.0	-32.78	372.95	8.20	-24.58
CC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012005632	0	42	0.0	-30.25	348.58	4.94	-25.31
COC1=CC(C)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005633	0	43	0.0	-33.75	347.16	3.94	-29.81
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1	REAL300012005634	0	38	0.0	-31.11	361.13	7.27	-23.84
CN1C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300012005635	0	38	0.0	-34.83	332.32	5.92	-28.91
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005636	1	38	0.0	-31.31	326.66	2.71	-28.60
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005637	0	41	0.0	-39.50	356.13	3.58	-35.92
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012005638	0	36	0.0	-32.69	319.42	2.96	-29.73
CC(C)SC1=CC(Br)=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005639	0	42	0.0	-27.38	368.54	7.08	-20.30
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005640	0	36	0.0	-28.14	330.66	5.68	-22.46
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012005641	0	42	0.0	-34.61	364.32	5.88	-28.73
CC(C)(C)C1CCC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])CC1	REAL300012005643	0	50	0.0	-32.43	354.67	6.18	-26.25
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC(F)F)C(Br)=C1	REAL300012005644	0	36	0.0	-31.06	330.10	5.34	-25.72
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012005645	0	45	0.0	-34.32	395.32	6.77	-27.55
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005646	0	46	0.0	-30.47	375.94	6.92	-23.55
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005647	0	46	0.0	-31.05	375.91	6.91	-24.14
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005648	0	45	0.0	-33.19	371.11	5.16	-28.03
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012005649	0	43	0.0	-27.29	352.16	6.87	-20.42
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012005650	0	43	0.0	-28.18	381.25	7.49	-20.69
COC1=CC(Cl)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1Cl	REAL300012005651	0	36	0.0	-30.26	327.40	4.36	-25.90
CC(C)CC1=NC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])S1	REAL300012005652	0	40	0.0	-31.02	338.74	4.06	-26.96
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012005653	0	35	0.0	-32.71	329.24	4.20	-28.51
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012005654	0	35	0.0	-32.56	329.83	4.11	-28.45
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])S2)O1	REAL300012005655	0	38	0.0	-34.21	342.06	4.03	-30.18
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005656	0	35	0.0	-29.95	308.47	5.34	-24.61
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012005657	0	32	0.0	-29.80	305.23	6.13	-23.67
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012005658	0	39	0.0	-32.26	336.58	4.07	-28.19
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012005659	0	41	0.0	-32.17	348.61	5.82	-26.35
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012005660	0	35	0.0	-27.81	314.56	6.06	-21.75
COCCOC1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005661	0	43	0.0	-30.15	352.67	4.62	-25.53
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012005662	0	32	0.0	-27.21	306.71	5.20	-22.01
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005663	0	36	0.0	-29.13	320.42	5.17	-23.96
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012005664	0	39	0.0	-29.87	336.40	4.66	-25.21
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012005665	0	46	0.0	-28.61	381.47	6.83	-21.78
COC1=CC(Br)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(OC)=C1	REAL300012005666	0	40	0.0	-28.67	348.05	3.25	-25.42
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012005667	0	43	0.0	-31.06	376.78	7.50	-23.56
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012005668	0	47	0.0	-32.09	397.47	5.40	-26.69
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005669	0	51	0.0	-30.62	401.20	7.62	-23.00
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012005670	0	39	0.0	-26.47	335.76	7.02	-19.45
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])S1	REAL300012005671	0	40	0.0	-30.91	339.19	3.88	-27.03
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012005672	0	38	0.0	-31.45	314.95	4.26	-27.19
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012005673	0	32	0.0	-29.56	291.73	5.72	-23.84
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012005674	0	39	0.0	-29.93	329.25	6.32	-23.61
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012005675	0	42	0.0	-34.57	365.98	7.20	-27.37
CC(=O)NC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005676	0	39	0.0	-36.36	329.76	3.04	-33.32
CCN(CC)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005677	0	46	0.0	-30.44	367.48	6.41	-24.03
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012005678	0	32	0.0	-32.07	294.97	4.77	-27.30
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC(OC)=C1OC	REAL300012005679	0	44	0.0	-35.72	365.57	3.26	-32.46
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012005680	0	36	0.0	-28.35	306.94	4.71	-23.64
COC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1OC	REAL300012005681	0	40	0.0	-30.26	329.21	4.38	-25.88
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012005682	0	32	0.0	-27.72	303.11	5.10	-22.62
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012005683	0	45	0.0	-28.89	354.45	3.94	-24.95
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005684	0	40	0.0	-30.73	327.85	4.26	-26.47
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(OC)=C1	REAL300012005685	0	40	0.0	-29.45	329.95	2.74	-26.71
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012005686	0	35	0.0	-32.86	311.08	5.10	-27.76
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012005687	0	32	0.0	-29.56	294.76	5.90	-23.66
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012005688	0	32	0.0	-30.52	302.34	6.08	-24.44
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005689	0	53	0.0	-31.67	423.72	9.27	-22.40
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012005690	0	36	0.0	-35.06	312.93	3.73	-31.33
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012005691	0	35	0.0	-36.97	302.25	5.20	-31.77
CCCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005692	0	45	0.0	-31.87	368.03	5.95	-25.92
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005693	0	48	0.0	-31.77	385.60	6.47	-25.30
CCCCCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005694	0	51	0.0	-31.30	409.70	7.47	-23.83
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012005695	0	43	0.0	-31.19	357.81	7.90	-23.29
CCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(OCCC)=C1	REAL300012005696	0	52	0.0	-28.16	416.66	6.21	-21.95
CCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005697	0	43	0.0	-30.55	349.71	5.18	-25.37
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012005698	0	35	0.0	-30.63	307.85	6.06	-24.57
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(OC)=C1OC	REAL300012005699	0	44	0.0	-30.22	364.22	3.29	-26.93
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012005700	0	50	0.0	-32.58	410.94	8.28	-24.30
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005701	0	36	0.0	-30.52	323.10	4.11	-26.41
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC(Br)=C1O	REAL300012005702	0	37	0.0	-29.38	331.11	2.88	-26.50
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012005703	0	42	0.0	-32.19	346.57	7.52	-24.67
COC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012005704	0	42	0.0	-30.32	341.72	5.56	-24.76
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012005705	0	32	0.0	-24.31	295.55	5.83	-18.48
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005706	0	44	0.0	-30.30	355.92	3.63	-26.67
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005707	0	42	0.0	-30.03	367.03	6.14	-23.89
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012005708	0	46	0.0	-31.51	381.71	8.39	-23.12
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1Br	REAL300012005709	0	32	0.0	-29.67	283.87	4.57	-25.10
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300012005710	0	39	0.0	-32.68	350.56	6.94	-25.74
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012005711	0	35	0.0	-35.39	315.89	3.31	-32.08
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012005712	0	44	0.0	-29.71	342.68	4.31	-25.40
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1I	REAL300012005713	0	32	0.0	-28.35	287.29	4.95	-23.40
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012005714	0	40	0.0	-33.66	349.46	3.31	-30.35
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012005715	0	49	0.0	-29.61	392.13	8.31	-21.30
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005716	0	44	0.0	-37.32	367.85	6.00	-31.32
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012005717	0	42	0.0	-27.81	350.56	6.87	-20.94
CCOC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1OC	REAL300012005718	0	43	0.0	-30.20	351.01	5.31	-24.89
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OCC(N)=O	REAL300012005719	0	44	0.0	-38.04	366.44	2.22	-35.82
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005720	0	38	0.0	-31.09	326.15	5.95	-25.14
CCNC(=O)COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005721	0	50	0.0	-41.55	409.86	4.50	-37.05
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC2=C1OCO2	REAL300012005722	0	39	0.0	-30.22	324.71	3.01	-27.21
COC1=CC2=C(C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-])OC(C)C2	REAL300012005724	0	44	0.0	-32.19	358.81	4.10	-28.09
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012005725	0	48	0.0	-42.53	402.83	1.06	-41.47
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012005726	0	44	0.0	-36.95	386.42	2.87	-34.08
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CS1	REAL300012005727	1	41	0.0	-30.10	348.24	4.94	-25.16
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005728	0	40	0.0	-28.05	326.74	3.83	-24.22
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(I)=C1	REAL300012005729	0	32	0.0	-29.38	298.22	6.20	-23.18
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(I)C=C1	REAL300012005730	0	32	0.0	-31.90	301.45	5.25	-26.65
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012005731	0	42	0.0	-33.55	363.28	4.81	-28.74
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005732	0	45	0.0	-27.37	360.54	7.83	-19.54
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005733	0	38	0.0	-39.57	334.37	1.67	-37.90
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012005734	0	42	0.0	-33.30	364.61	8.08	-25.22
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005735	0	36	0.0	-30.57	318.54	4.01	-26.56
COC(=O)C1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CN1C	REAL300012005736	0	39	0.0	-28.84	328.53	5.25	-23.59
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012005737	0	45	0.0	-31.61	374.48	6.69	-24.92
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012005738	0	31	0.0	-24.86	286.72	3.87	-20.99
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012005739	0	41	0.0	-33.01	347.35	1.46	-31.55
C#CCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005740	0	41	0.0	-33.06	352.31	5.69	-27.37
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C12	REAL300012005741	0	40	0.0	-33.82	335.38	4.79	-29.03
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012005742	0	35	0.0	-26.33	314.12	6.12	-20.21
CCOCC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OC	REAL300012005743	0	46	0.0	-26.72	374.02	5.32	-21.40
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012005744	0	35	0.0	-38.36	308.71	3.56	-34.80
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012005745	0	41	0.0	-36.43	364.57	3.60	-32.83
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Br	REAL300012005746	0	35	0.0	-29.58	325.22	5.68	-23.90
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Br)C=C1C(F)(F)F	REAL300012005747	0	35	0.0	-36.95	323.55	5.83	-31.12
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012005748	0	32	0.0	-29.90	295.73	4.61	-25.29
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC=C1Br	REAL300012005749	0	29	0.0	-26.52	275.66	4.52	-22.00
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005750	0	45	0.0	-28.26	361.97	6.89	-21.37
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012005752	0	32	0.0	-27.98	298.13	5.79	-22.19
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012005753	0	32	0.0	-30.88	289.80	5.63	-25.25
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012005754	0	32	0.0	-32.54	295.27	5.70	-26.84
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=N1	REAL300012005755	0	42	0.0	-33.10	343.97	4.06	-29.04
CS(=O)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005756	0	37	0.0	-38.83	324.57	2.70	-36.13
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012005757	0	42	0.0	-26.47	331.81	7.55	-18.92
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C)=C1OC	REAL300012005758	0	43	0.0	-32.23	347.42	4.02	-28.21
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012005759	0	29	0.0	-29.93	291.41	5.11	-24.82
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012005760	0	31	0.0	-33.50	298.41	2.51	-30.99
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005761	0	38	0.0	-37.54	331.13	2.62	-34.92
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012005762	0	45	0.0	-30.20	356.52	7.32	-22.88
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012005764	0	42	0.0	-29.86	336.63	4.55	-25.31
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005765	0	42	0.0	-29.96	347.51	5.77	-24.19
COC1=CC(C)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C)=N1	REAL300012005766	0	41	0.0	-30.42	331.42	1.77	-28.65
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005767	0	36	0.0	-30.14	315.88	3.92	-26.22
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005768	0	42	0.0	-29.81	335.30	4.67	-25.14
CC1=NC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012005769	0	42	0.0	-30.97	352.69	6.43	-24.54
CCCN1N=C(C)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1C	REAL300012005770	0	44	0.0	-32.90	356.51	4.46	-28.44
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012005771	0	42	0.0	-27.05	336.20	7.69	-19.36
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012005772	0	42	0.0	-28.36	343.60	6.67	-21.69
CCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1F	REAL300012005773	0	39	0.0	-33.31	328.01	5.41	-27.90
COC1=CC=CC2=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=CC=C12	REAL300012005774	0	42	0.0	-30.40	341.69	5.59	-24.81
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1C#N	REAL300012005775	0	37	0.0	-34.30	320.14	4.81	-29.49
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005776	0	42	0.0	-30.80	347.57	5.97	-24.83
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012005777	0	31	0.0	-29.08	294.46	3.38	-25.70
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012005778	0	39	0.0	-34.06	336.26	2.40	-31.66
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(Br)=C1	REAL300012005779	0	36	0.0	-27.35	318.11	3.94	-23.41
CC1=CC(Br)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])S1	REAL300012005780	0	32	0.0	-27.13	303.91	4.54	-22.59
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005781	0	47	0.0	-34.85	380.14	7.81	-27.04
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005782	0	42	0.0	-27.39	359.27	6.72	-20.67
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CC=C21	REAL300012005783	0	43	0.0	-36.87	348.21	5.00	-31.87
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005784	0	47	0.0	-29.16	395.04	7.28	-21.88
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005785	0	39	0.0	-30.74	332.97	4.45	-26.29
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012005786	0	38	0.0	-27.55	350.86	6.61	-20.94
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012005787	0	38	0.0	-34.58	343.20	5.41	-29.17
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005788	0	49	0.0	-31.23	397.69	7.58	-23.65
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012005789	0	43	0.0	-29.08	370.74	6.47	-22.61
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012005790	0	47	0.0	-38.72	400.44	4.51	-34.21
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012005791	0	37	0.0	-34.28	330.56	5.13	-29.15
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012005792	0	41	0.0	-30.87	344.26	4.73	-26.14
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012005793	0	38	0.0	-34.89	345.53	5.35	-29.54
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012005794	0	35	0.0	-34.39	320.15	3.20	-31.19
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012005795	0	32	0.0	-29.66	305.23	6.13	-23.53
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012005796	0	44	0.0	-32.24	381.93	6.61	-25.63
CN1C=C(C2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C2)C=N1	REAL300012005797	0	42	0.0	-35.70	353.80	5.44	-30.26
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012005798	0	35	0.0	-35.82	309.86	3.14	-32.68
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012005799	0	43	0.0	-34.10	368.79	7.06	-27.04
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012005800	0	42	0.0	-33.20	354.25	5.19	-28.01
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012005801	0	43	0.0	-35.17	368.62	5.51	-29.66
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])N1	REAL300012005802	0	40	0.0	-35.45	328.83	2.24	-33.21
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=N1	REAL300012005803	0	46	0.0	-31.85	377.50	7.49	-24.36
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005804	0	44	0.0	-29.90	356.21	4.30	-25.60
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012005805	0	38	0.0	-31.51	328.22	4.25	-27.26
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012005806	0	39	0.0	-32.84	337.41	2.37	-30.47
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])N=N1	REAL300012005807	0	41	0.0	-27.42	344.47	5.82	-21.60
CN1N=C(Br)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005808	0	32	0.0	-31.58	296.00	2.22	-29.36
CN1C=C(C2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])S2)C=N1	REAL300012005809	0	39	0.0	-35.36	347.62	4.83	-30.53
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012005810	0	44	0.0	-32.12	349.52	6.00	-26.12
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005811	0	39	0.0	-27.07	332.84	5.86	-21.21
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012005812	0	32	0.0	-34.55	305.39	5.11	-29.44
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005813	0	43	0.0	-31.56	358.37	4.48	-27.08
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012005814	0	36	0.0	-30.76	323.63	4.02	-26.74
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012005815	0	39	0.0	-32.07	335.09	5.07	-27.00
CC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012005816	0	45	0.0	-34.62	366.62	5.83	-28.79
CC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012005817	0	45	0.0	-27.95	367.77	5.64	-22.31
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012005818	0	42	0.0	-33.67	367.98	7.32	-26.35
CC1=CC(Br)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1Cl	REAL300012005819	0	35	0.0	-28.59	321.66	5.75	-22.84
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012005820	0	42	0.0	-30.20	372.90	6.12	-24.08
N#CCCN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012005822	0	45	0.0	-31.93	387.17	5.89	-26.04
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012005823	0	38	0.0	-28.69	333.43	7.70	-20.99
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005824	0	42	0.0	-34.04	348.50	5.61	-28.43
COCCCN1N=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005825	0	42	0.0	-26.83	336.87	3.80	-23.03
CC1=CC(F)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(Cl)=C1	REAL300012005826	0	35	0.0	-26.80	311.19	6.21	-20.59
COCCOCC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005827	0	46	0.0	-34.45	382.90	4.06	-30.39
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012005829	0	32	0.0	-26.96	292.22	4.07	-22.89
CC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012005830	0	38	0.0	-34.35	344.13	6.69	-27.66
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012005831	0	46	0.0	-34.09	395.77	6.51	-27.58
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(F)C=C1I	REAL300012005832	0	32	0.0	-25.64	299.54	5.11	-20.53
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012005833	0	35	0.0	-28.64	308.71	4.17	-24.47
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=COC=N2)C(=O)[O-])O1	REAL300012005834	0	42	0.0	-35.39	357.86	4.39	-31.00
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012005835	0	31	0.0	-31.54	300.83	3.35	-28.19
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(OC(F)F)=CC=C1Br	REAL300012005836	0	36	0.0	-30.84	323.04	4.14	-26.70
COC(=O)C1=C(C)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CN1	REAL300012005837	0	39	0.0	-32.66	329.91	3.11	-29.55
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])S2)C=C1C	REAL300012005838	0	44	0.0	-32.91	377.06	6.37	-26.54
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005839	0	42	0.0	-35.70	356.54	6.08	-29.62
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005840	0	42	0.0	-33.97	364.26	6.62	-27.35
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005841	0	45	0.0	-32.96	373.48	6.60	-26.36
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005842	0	42	0.0	-35.84	350.29	6.10	-29.74
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012005843	0	38	0.0	-31.60	323.14	3.75	-27.85
COC1=CC(OC)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1F	REAL300012005844	0	40	0.0	-29.00	332.91	3.80	-25.20
COC1=CC(F)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005845	0	40	0.0	-35.28	336.92	3.40	-31.88
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300012005846	0	46	0.0	-32.57	395.06	7.66	-24.91
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005847	0	45	0.0	-33.22	373.61	6.60	-26.62
CCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C)=C1	REAL300012005848	0	45	0.0	-29.98	360.01	5.74	-24.24
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012005849	0	34	0.0	-35.17	305.79	3.89	-31.28
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012005850	0	35	0.0	-26.69	319.60	6.25	-20.44
CCC1=C2OC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CC2=CC=C1	REAL300012005851	0	41	0.0	-26.66	341.21	7.06	-19.60
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012005852	0	40	0.0	-29.95	338.27	5.10	-24.85
CCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C)=C1	REAL300012005853	0	42	0.0	-30.70	339.86	4.98	-25.72
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012005854	0	36	0.0	-29.79	313.44	4.76	-25.03
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012005855	0	36	0.0	-31.76	316.64	3.80	-27.96
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012005856	0	45	0.0	-30.40	357.89	7.35	-23.05
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=N1	REAL300012005857	0	42	0.0	-32.61	356.91	3.14	-29.47
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012005858	0	38	0.0	-33.22	355.42	5.69	-27.53
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012005859	0	32	0.0	-30.04	299.74	5.21	-24.83
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012005860	0	32	0.0	-34.96	293.44	3.42	-31.54
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012005861	0	32	0.0	-33.80	292.32	4.18	-29.62
CN(C)C1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=CC(F)=C1F	REAL300012005862	0	40	0.0	-31.08	330.08	5.17	-25.91
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CC=C(Br)S1	REAL300012005863	0	36	0.0	-27.30	330.63	3.93	-23.37
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012005864	0	32	0.0	-31.09	298.89	4.63	-26.46
CC(C)OC1=CC(Cl)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1Cl	REAL300012005865	0	42	0.0	-30.30	369.59	6.00	-24.30
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012005866	0	44	0.0	-34.57	357.69	3.75	-30.82
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1F	REAL300012005867	0	40	0.0	-33.33	339.08	3.73	-29.60
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005868	0	46	0.0	-32.69	370.86	6.79	-25.90
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012005869	0	32	0.0	-39.25	290.80	4.31	-34.94
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012005870	0	39	0.0	-28.76	337.33	5.36	-23.40
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005871	0	44	0.0	-29.44	383.91	6.47	-22.97
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC1CC1	REAL300012005872	0	44	0.0	-30.01	358.89	5.93	-24.08
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005873	0	35	0.0	-32.61	315.65	2.71	-29.90
COCC(C)OC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005874	0	46	0.0	-34.53	375.27	4.35	-30.18
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300012005875	0	46	0.0	-29.01	392.71	7.68	-21.33
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012005876	0	39	0.0	-29.30	337.80	7.72	-21.58
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012005877	0	45	0.0	-25.16	353.72	7.40	-17.76
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012005878	0	39	0.0	-31.23	337.56	5.70	-25.53
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1C(C)(C)C	REAL300012005879	0	48	0.0	-28.18	371.11	7.09	-21.09
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012005880	0	45	0.0	-27.03	361.50	8.62	-18.41
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005881	0	40	0.0	-25.21	341.91	4.27	-20.94
CC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=NC=C1Br	REAL300012005882	0	34	0.0	-23.78	303.92	4.41	-19.37
CC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C(Br)C=C1F	REAL300012005883	0	35	0.0	-30.71	312.90	5.36	-25.35
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012005884	0	33	0.0	-30.40	301.43	1.85	-28.55
CN1C=C(C2=NC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CS2)C=N1	REAL300012005885	0	38	0.0	-28.52	339.94	3.70	-24.82
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1Cl	REAL300012005886	0	36	0.0	-29.69	315.96	4.96	-24.73
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012005887	0	42	0.0	-31.25	339.56	4.50	-26.75
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012005888	0	38	0.0	-41.18	333.00	4.03	-37.15
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012005889	0	38	0.0	-31.95	321.47	5.67	-26.28
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(Br)=N1	REAL300012005890	0	32	0.0	-34.80	295.79	2.40	-32.40
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005891	0	39	0.0	-32.75	326.53	4.01	-28.74
CN1N=CC2=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CN=C21	REAL300012005892	0	37	0.0	-36.45	317.97	3.28	-33.17
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012005893	0	31	0.0	-26.32	292.08	3.90	-22.42
COC1=CC(Cl)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC	REAL300012005894	0	40	0.0	-32.73	343.01	3.80	-28.93
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012005895	0	38	0.0	-33.36	333.34	5.89	-27.47
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005896	0	52	0.0	-31.64	417.01	5.51	-26.13
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005897	0	42	0.0	-26.84	332.37	5.03	-21.81
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C(C)N1	REAL300012005898	0	45	0.0	-31.38	374.00	4.53	-26.85
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012005899	0	42	0.0	-26.89	362.12	9.03	-17.86
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012005900	0	32	0.0	-37.95	305.11	4.86	-33.09
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Br)SC=C1	REAL300012005901	0	29	0.0	-29.21	279.10	3.73	-25.48
CCOC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C(F)C=C1OC	REAL300012005902	0	43	0.0	-35.09	358.77	4.32	-30.77
COC1=NC=C(Br)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005903	0	35	0.0	-29.25	320.72	1.52	-27.73
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012005904	0	38	0.0	-31.12	320.19	6.31	-24.81
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CN=C1Br	REAL300012005905	0	31	0.0	-33.64	281.41	2.78	-30.86
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O	REAL300012005906	0	46	0.0	-36.78	393.09	3.76	-33.02
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C(F)C=C1Br	REAL300012005907	0	36	0.0	-34.75	328.11	4.15	-30.60
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012005908	0	32	0.0	-29.51	298.98	6.00	-23.51
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012005909	0	36	0.0	-34.44	321.50	5.04	-29.40
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005910	0	42	0.0	-29.65	346.66	5.07	-24.58
CCOC1=CC(F)=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005911	0	39	0.0	-28.37	328.20	5.40	-22.97
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012005912	0	46	0.0	-37.82	366.45	6.12	-31.70
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012005913	0	36	0.0	-30.62	317.15	3.69	-26.93
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005914	0	45	0.0	-30.19	350.84	6.25	-23.94
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C(F)C=C1C	REAL300012005915	0	39	0.0	-32.81	326.45	4.18	-28.63
CC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C)=C1Br	REAL300012005916	0	38	0.0	-29.28	324.76	5.84	-23.44
CC1=CC=NC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1Br	REAL300012005917	0	34	0.0	-24.34	297.56	4.21	-20.13
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005918	0	49	0.0	-33.57	394.43	4.34	-29.23
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012005919	0	42	0.0	-31.61	364.65	5.42	-26.19
COCCC1=NC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])S1	REAL300012005921	0	38	0.0	-32.61	335.53	1.92	-30.69
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012005923	1	33	0.0	-30.15	309.45	1.99	-28.16
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1	REAL300012005924	0	42	0.0	-30.23	378.57	5.81	-24.42
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005925	0	40	0.0	-26.05	332.58	4.70	-21.35
CCN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012005926	0	45	0.0	-29.37	372.40	6.09	-23.28
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012005927	0	40	0.0	-26.79	316.53	5.08	-21.71
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1C	REAL300012005928	0	48	0.0	-26.50	368.66	6.24	-20.26
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012005929	0	34	0.0	-36.86	298.19	5.66	-31.20
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012005930	0	43	0.0	-31.16	381.29	7.45	-23.71
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005931	0	46	0.0	-29.82	397.81	8.23	-21.59
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1	REAL300012005932	0	43	0.0	-29.97	385.85	7.67	-22.30
CC1=C(Br)C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])S1	REAL300012005933	0	32	0.0	-30.49	306.25	4.65	-25.84
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012005934	0	42	0.0	-29.58	361.39	9.03	-20.55
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(F)=C1I	REAL300012005935	0	32	0.0	-29.37	292.72	6.00	-23.37
CCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1C	REAL300012005936	0	45	0.0	-27.12	362.06	6.83	-20.29
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012005937	0	50	0.0	-27.02	407.05	7.79	-19.23
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012005938	0	46	0.0	-33.03	381.32	6.04	-26.99
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005939	0	39	0.0	-30.79	328.99	4.45	-26.34
CC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005940	0	35	0.0	-35.27	315.74	5.33	-29.94
CC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012005941	0	37	0.0	-33.43	311.29	5.26	-28.17
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005942	0	40	0.0	-26.86	326.52	6.65	-20.21
COC1=CC=C(CN2C=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])N=N2)C=C1	REAL300012005943	0	45	0.0	-29.95	376.77	4.71	-25.24
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(F)=C1OC	REAL300012005944	0	40	0.0	-31.17	340.39	3.43	-27.74
COC(=O)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(F)=C1	REAL300012005945	0	38	0.0	-31.64	332.68	4.78	-26.86
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012005946	0	42	0.0	-33.04	356.89	5.49	-27.55
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012005947	0	46	0.0	-31.06	381.70	8.38	-22.68
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012005948	0	39	0.0	-33.85	332.06	5.68	-28.17
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1	REAL300012005949	0	43	0.0	-30.98	381.95	7.28	-23.70
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005950	0	50	0.0	-28.60	408.52	7.43	-21.17
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012005951	0	43	0.0	-30.03	381.81	7.47	-22.56
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005952	0	48	0.0	-31.54	389.00	7.16	-24.38
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012005953	0	38	0.0	-25.36	352.00	6.41	-18.95
COC1=CC=C(C2=NC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CS2)C=C1	REAL300012005954	0	42	0.0	-25.66	363.39	5.17	-20.49
CC1=C2C=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=NC2=NN1	REAL300012005956	0	37	0.0	-34.70	313.49	3.62	-31.08
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012005957	0	40	0.0	-35.17	344.03	1.82	-33.35
CN1N=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C2=CC=CC=C21	REAL300012005958	0	38	0.0	-30.25	323.63	4.06	-26.19
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005959	0	32	0.0	-34.72	307.12	3.43	-31.29
CC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012005960	0	38	0.0	-34.63	320.14	5.11	-29.52
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005961	0	52	0.0	-31.02	394.13	6.19	-24.83
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1	REAL300012005962	0	46	0.0	-35.26	399.71	8.50	-26.76
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012005963	0	38	0.0	-36.50	329.85	2.38	-34.12
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=COC=N2)C(=O)[O-])S1	REAL300012005964	0	37	0.0	-31.84	326.69	3.28	-28.56
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=COC=N2)C(=O)[O-])S1	REAL300012005965	0	43	0.0	-30.88	367.03	4.53	-26.35
CCCC(C[NH2+]C(CC1=COC=N1)C(=O)[O-])C1=CC=CC=C1	REAL300012005966	0	44	0.0	-29.76	352.05	6.77	-22.99
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012005967	0	37	0.0	-29.74	324.23	4.96	-24.78
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012005968	0	32	0.0	-34.29	304.54	4.45	-29.84
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012005969	0	49	0.0	-33.14	406.56	4.93	-28.21
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012005970	0	34	0.0	-29.70	323.39	5.16	-24.54
CN(C)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012005971	0	43	0.0	-36.92	353.72	5.60	-31.32
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005972	0	42	0.0	-33.75	355.40	6.77	-26.98
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005973	0	41	0.0	-27.21	361.66	6.72	-20.49
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012005974	0	51	0.0	-32.92	409.51	7.49	-25.43
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012005975	0	35	0.0	-35.85	333.57	5.49	-30.36
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1	REAL300012005976	0	38	0.0	-29.19	339.45	5.59	-23.60
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012005977	0	35	0.0	-26.08	317.40	6.18	-19.90
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005978	0	43	0.0	-32.62	356.56	6.49	-26.13
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005979	0	46	0.0	-29.89	368.95	6.70	-23.19
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005980	0	42	0.0	-27.85	345.06	4.92	-22.93
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012005981	0	41	0.0	-33.95	344.87	5.71	-28.24
COC1=CC=C(N2C=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=N2)C=C1	REAL300012005982	0	43	0.0	-33.38	357.44	5.58	-27.80
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012005983	0	47	0.0	-31.64	394.15	7.51	-24.13
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012005984	0	34	0.0	-26.64	308.52	3.04	-23.60
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=NC=C1Br	REAL300012005985	0	31	0.0	-31.71	282.18	2.89	-28.82
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])S1	REAL300012005986	0	35	0.0	-40.39	326.75	0.83	-39.56
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012005987	0	52	0.0	-29.89	417.24	8.10	-21.79
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012005988	0	38	0.0	-31.42	320.75	4.83	-26.59
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(F)=C1	REAL300012005989	0	37	0.0	-36.02	333.47	-0.88	-36.90
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005990	0	34	0.0	-30.65	300.73	3.35	-27.30
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005991	0	35	0.0	-34.75	310.68	2.74	-32.01
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005992	0	42	0.0	-31.49	340.77	4.29	-27.20
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012005993	0	38	0.0	-33.19	323.77	3.24	-29.95
COC1=CC=C(C2=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300012005994	0	48	0.0	-33.34	403.04	4.09	-29.25
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012005995	0	43	0.0	-29.41	344.76	3.69	-25.72
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21	REAL300012005996	0	46	0.0	-37.28	390.53	7.20	-30.08
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012005998	0	41	0.0	-33.20	344.18	4.53	-28.67
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012005999	0	42	0.0	-43.47	348.14	1.58	-41.89
CC1=CC(C)=C(C=CC[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C)=C1	REAL300012006000	0	45	0.0	-28.68	360.50	8.23	-20.45
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012006001	0	52	0.0	-33.77	413.70	3.01	-30.76
CC(C)(C)OC(=O)NC(C[NH2+]C(CC1=COC=N1)C(=O)[O-])CC(F)F	REAL300012006002	0	48	0.0	-35.96	380.25	2.95	-33.01
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012006003	0	42	0.0	-28.71	344.11	2.65	-26.06
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006004	0	40	0.0	-29.30	329.96	4.18	-25.12
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012006005	0	37	0.0	-37.05	317.86	5.55	-31.50
CC1=CC(C)=C(C=CC[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1C	REAL300012006006	0	45	0.0	-28.57	356.03	8.09	-20.48
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012006007	0	37	0.0	-39.50	327.85	-0.89	-40.39
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012006008	0	41	0.0	-24.05	323.38	5.61	-18.44
CN1C=CC(C2=NC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CS2)=N1	REAL300012006009	0	38	0.0	-29.61	340.04	3.58	-26.03
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012006010	0	45	0.0	-31.69	361.98	5.04	-26.65
CC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1Br	REAL300012006011	0	35	0.0	-27.35	302.24	6.17	-21.18
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012006012	0	43	0.0	-27.18	364.24	7.98	-19.20
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012006013	0	40	0.0	-32.21	327.37	4.77	-27.44
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006014	0	42	0.0	-38.96	341.28	4.92	-34.04
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012006015	0	36	0.0	-29.67	315.47	4.01	-25.66
CC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C2CCCCC2=N1	REAL300012006016	0	44	0.0	-26.24	339.30	6.18	-20.06
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012006017	0	47	0.0	-25.06	362.11	7.09	-17.97
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012006018	1	31	0.0	-37.13	297.17	2.17	-34.96
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012006019	0	35	0.0	-30.36	309.64	6.06	-24.30
COC(=O)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1C	REAL300012006020	0	41	0.0	-31.80	341.28	6.30	-25.50
CC1=C(Cl)C=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1Cl	REAL300012006021	0	35	0.0	-26.99	317.78	5.56	-21.43
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006022	0	33	0.0	-32.93	306.88	5.03	-27.90
CC1CC2=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CC=C2O1	REAL300012006023	0	40	0.0	-29.00	327.48	5.71	-23.29
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012006024	0	35	0.0	-33.37	304.10	1.60	-31.77
CSCC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012006025	0	39	0.0	-32.70	339.80	6.03	-26.67
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012006026	0	42	0.0	-31.43	341.36	5.81	-25.62
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006027	0	40	0.0	-27.28	323.49	2.63	-24.65
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006028	0	45	0.0	-37.69	372.69	6.66	-31.03
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006029	0	42	0.0	-37.05	354.44	6.06	-30.99
CN1C=NC2=CC=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=C21	REAL300012006030	0	38	0.0	-33.41	312.07	5.38	-28.03
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012006031	0	42	0.0	-36.76	344.39	4.00	-32.76
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012006032	0	42	0.0	-36.65	351.63	3.27	-33.38
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006033	0	44	0.0	-26.74	319.64	5.96	-20.78
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012006034	0	42	0.0	-31.07	326.44	5.50	-25.57
COC1=CC=C2SC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CC2=C1	REAL300012006035	0	39	0.0	-33.54	340.60	4.97	-28.57
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012006036	0	48	0.0	-35.51	380.37	6.79	-28.72
CCN1CCC2=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CC=C21	REAL300012006037	0	44	0.0	-27.93	349.75	5.73	-22.20
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012006038	0	45	0.0	-36.19	365.21	4.96	-31.23
CSC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1Cl	REAL300012006039	0	36	0.0	-30.79	324.33	6.53	-24.26
CC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1C1CC1	REAL300012006040	0	42	0.0	-27.14	337.46	7.72	-19.42
CC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1C1CC1	REAL300012006041	0	42	0.0	-26.68	336.88	7.73	-18.95
CC1=NN(C2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C(C)=C2)C=C1	REAL300012006042	0	45	0.0	-33.85	368.76	6.53	-27.32
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012006043	0	38	0.0	-33.30	344.88	6.02	-27.28
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006044	0	42	0.0	-32.27	362.64	6.41	-25.86
CCC1=CC(Br)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])S1	REAL300012006045	0	35	0.0	-27.53	326.71	5.37	-22.16
CC1=NN(C2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C2)C=C1Cl	REAL300012006046	0	42	0.0	-32.68	366.04	7.35	-25.33
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])O2)N1	REAL300012006047	0	39	0.0	-38.33	340.11	2.86	-35.47
COCCOC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])O1	REAL300012006048	0	40	0.0	-27.84	338.35	3.81	-24.03
CC(C)(C[NH2+]C(CC1=COC=N1)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012006049	0	41	0.0	-33.92	343.03	6.48	-27.44
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006050	0	44	0.0	-30.60	357.11	4.46	-26.14
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012006051	0	32	0.0	-26.83	307.13	6.18	-20.65
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C)=C1	REAL300012006052	0	48	0.0	-27.09	382.02	8.48	-18.61
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012006054	0	52	0.0	-34.84	420.26	4.56	-30.28
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006055	0	44	0.0	-33.39	364.93	3.41	-29.98
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012006056	0	49	0.0	-37.41	388.47	6.08	-31.33
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006057	0	42	0.0	-35.41	344.39	7.12	-28.29
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012006058	0	35	0.0	-34.58	332.29	5.88	-28.70
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012006059	0	36	0.0	-28.81	325.94	2.80	-26.01
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012006061	0	32	0.0	-27.25	301.37	4.92	-22.33
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012006062	0	32	0.0	-36.88	303.20	4.80	-32.08
CC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012006063	0	44	0.0	-25.44	353.02	6.66	-18.78
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012006064	0	41	0.0	-28.06	347.26	5.41	-22.65
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])CC1	REAL300012006065	0	52	0.0	-32.96	394.14	6.13	-26.83
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006066	0	34	0.0	-33.43	306.23	3.48	-29.95
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012006067	0	38	0.0	-36.02	344.32	3.02	-33.00
CC1OC2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C2C1C	REAL300012006068	0	43	0.0	-28.79	342.51	6.17	-22.62
CC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OC(F)F	REAL300012006069	0	39	0.0	-27.43	329.76	5.43	-22.00
CC1=NC(Cl)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1Br	REAL300012006070	0	34	0.0	-30.74	316.84	3.78	-26.96
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006071	0	44	0.0	-28.70	344.79	6.63	-22.07
CN1N=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012006072	1	38	0.0	-39.44	326.09	-0.51	-39.95
CCOC1=CC(Br)=CC(F)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006073	0	39	0.0	-24.51	345.75	5.99	-18.52
CC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012006074	0	35	0.0	-32.69	310.06	2.05	-30.64
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012006075	0	32	0.0	-30.98	291.51	2.44	-28.54
CS(=O)(=O)C1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=CS1	REAL300012006076	0	35	0.0	-31.49	315.85	1.08	-30.41
CC1=C(Br)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C(C)S1	REAL300012006077	0	35	0.0	-21.59	314.24	5.90	-15.69
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012006078	0	42	0.0	-36.00	354.22	5.18	-30.82
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012006079	0	39	0.0	-31.52	338.86	6.39	-25.13
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012006080	0	40	0.0	-32.83	332.90	5.07	-27.76
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012006081	0	36	0.0	-28.69	323.89	3.91	-24.78
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012006082	0	38	0.0	-30.58	340.32	6.94	-23.64
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C)=C1	REAL300012006083	0	45	0.0	-34.92	366.91	7.18	-27.74
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C2)C=N1	REAL300012006084	0	45	0.0	-33.25	368.17	8.72	-24.53
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006085	0	39	0.0	-39.26	326.92	3.38	-35.88
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012006086	0	46	0.0	-26.56	364.08	9.09	-17.47
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006088	0	42	0.0	-38.12	347.08	4.18	-33.94
CC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012006089	0	38	0.0	-33.00	326.21	5.29	-27.71
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006090	0	42	0.0	-32.60	352.42	5.22	-27.38
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006091	0	43	0.0	-32.86	345.06	4.64	-28.22
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012006092	0	35	0.0	-30.46	329.35	6.17	-24.29
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012006093	0	35	0.0	-29.57	311.39	4.14	-25.43
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012006094	0	42	0.0	-28.73	345.15	6.13	-22.60
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1	REAL300012006096	0	39	0.0	-39.26	348.55	4.74	-34.52
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006097	0	35	0.0	-29.25	314.99	1.29	-27.96
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012006098	0	35	0.0	-30.75	310.44	2.92	-27.83
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012006099	0	35	0.0	-33.98	306.25	5.97	-28.01
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012006100	0	40	0.0	-27.86	313.32	5.01	-22.85
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006101	0	45	0.0	-34.71	388.19	6.93	-27.78
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006102	0	39	0.0	-29.47	339.07	4.89	-24.58
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1	REAL300012006103	0	39	0.0	-32.55	345.90	4.43	-28.12
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012006105	0	39	0.0	-30.47	322.48	3.77	-26.70
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Br)C=CC=C1OC(F)F	REAL300012006106	0	36	0.0	-28.66	329.66	4.27	-24.39
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012006107	0	34	0.0	-34.42	305.05	5.85	-28.57
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012006108	0	45	0.0	-26.73	353.77	6.11	-20.62
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012006109	0	39	0.0	-31.04	347.54	5.62	-25.42
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012006110	0	32	0.0	-29.77	304.26	4.77	-25.00
CN(CCO)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=N1	REAL300012006111	0	43	0.0	-28.77	348.70	2.63	-26.14
COC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012006112	0	48	0.0	-27.30	366.01	5.83	-21.47
CN1C=C(Br)N=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006113	0	32	0.0	-38.22	295.89	3.01	-35.21
COC1=CC(C)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1O	REAL300012006114	0	40	0.0	-34.36	327.35	1.84	-32.52
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012006115	0	38	0.0	-44.09	329.10	3.22	-40.87
CN1C(=O)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012006116	0	41	0.0	-43.14	341.01	4.94	-38.20
CC1=CC(C)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C)=C1Br	REAL300012006117	0	41	0.0	-27.43	340.01	6.18	-21.25
O=C([O-])C(CC1=COC=N1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012006118	0	39	0.0	-36.76	329.45	4.06	-32.70
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012006119	0	45	0.0	-30.84	364.79	7.66	-23.18
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012006120	0	42	0.0	-34.39	369.87	4.92	-29.47
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012006121	0	32	0.0	-32.81	300.47	4.70	-28.11
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006122	0	49	0.0	-30.31	390.93	5.31	-25.00
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012006123	0	36	0.0	-34.19	315.94	3.64	-30.55
CC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012006124	0	35	0.0	-34.46	311.38	3.87	-30.59
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006125	0	38	0.0	-30.40	323.65	6.63	-23.77
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012006126	0	38	0.0	-33.13	336.59	4.92	-28.21
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=N1	REAL300012006127	0	39	0.0	-37.52	329.41	1.63	-35.89
CCCN1N=C(C)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1Cl	REAL300012006128	0	41	0.0	-28.36	353.80	4.37	-23.99
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])S1	REAL300012006129	0	38	0.0	-35.67	339.02	3.43	-32.24
COC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006130	0	36	0.0	-33.82	327.73	4.14	-29.68
N#CC1=CC(F)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(Br)=C1	REAL300012006131	0	33	0.0	-27.77	313.29	5.95	-21.82
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012006132	0	32	0.0	-34.83	290.91	4.33	-30.50
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012006133	0	39	0.0	-32.34	339.24	6.57	-25.77
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012006134	0	38	0.0	-29.65	330.02	6.74	-22.91
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012006135	0	32	0.0	-36.05	312.33	5.21	-30.84
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012006136	0	49	0.0	-28.39	383.14	6.97	-21.42
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012006137	0	43	0.0	-33.06	377.78	7.46	-25.60
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012006138	0	52	0.0	-26.30	400.05	8.62	-17.68
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012006139	0	46	0.0	-30.45	397.01	8.98	-21.47
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C2)=C1	REAL300012006140	0	47	0.0	-36.30	391.88	6.29	-30.01
CCN1CCCC2=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=CC=C21	REAL300012006141	0	47	0.0	-30.60	361.56	5.24	-25.36
COCC1=CN=C(OC)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006142	0	42	0.0	-33.03	353.56	0.69	-32.34
CN1N=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1Br	REAL300012006143	0	32	0.0	-29.04	294.29	2.27	-26.77
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012006144	0	47	0.0	-37.09	392.59	6.92	-30.17
COC1=C(Br)C=CC(F)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006145	0	36	0.0	-29.78	328.91	4.19	-25.59
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012006146	0	45	0.0	-31.76	382.75	8.85	-22.91
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012006147	0	36	0.0	-28.80	325.52	6.52	-22.28
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300012006148	0	46	0.0	-30.91	397.12	8.87	-22.04
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012006149	0	45	0.0	-30.08	362.33	5.74	-24.34
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Br)C=C1OC(F)F	REAL300012006150	0	36	0.0	-31.63	332.85	4.40	-27.23
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012006151	0	40	0.0	-27.77	322.83	5.15	-22.62
CC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012006152	0	38	0.0	-33.04	332.89	6.23	-26.81
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012006153	0	38	0.0	-35.80	328.30	2.31	-33.49
COC1=CC=C(F)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1OC	REAL300012006154	0	40	0.0	-30.54	337.72	3.42	-27.12
COC1=CC(OC)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C2=NC(Cl)=CC=C12	REAL300012006155	0	45	0.0	-32.06	382.25	4.76	-27.30
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=COC=N2)C(=O)[O-])=N1	REAL300012006156	0	39	0.0	-36.24	334.35	2.04	-34.20
CC1=CC=C(F)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1Br	REAL300012006157	0	35	0.0	-27.78	310.83	5.09	-22.69
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012006158	0	55	0.0	-27.53	421.24	9.36	-18.17
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012006159	0	46	0.0	-29.25	368.72	7.42	-21.83
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006160	0	38	0.0	-37.07	314.23	5.66	-31.41
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OCCO	REAL300012006161	0	44	0.0	-33.88	361.08	2.10	-31.78
CCN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2CC2)=N1	REAL300012006162	0	42	0.0	-30.71	346.63	5.95	-24.76
COC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1OCCO	REAL300012006163	0	44	0.0	-33.19	361.08	2.10	-31.09
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012006164	0	42	0.0	-31.37	358.49	3.08	-28.29
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012006165	0	51	0.0	-32.45	408.13	5.73	-26.72
CC1=CC2=CC=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=C2O1	REAL300012006166	0	38	0.0	-29.30	321.58	5.25	-24.05
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012006167	0	35	0.0	-40.45	307.53	5.23	-35.22
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012006168	0	39	0.0	-30.69	344.03	5.83	-24.86
COC1=CSC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1OC	REAL300012006169	0	37	0.0	-29.58	326.43	2.18	-27.40
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012006170	0	41	0.0	-30.93	366.45	6.80	-24.13
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012006171	0	35	0.0	-28.02	314.53	4.25	-23.77
CS(=O)(=O)C1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])SC=C1	REAL300012006172	0	35	0.0	-34.76	312.34	1.22	-33.54
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006173	0	35	0.0	-40.08	317.50	-0.27	-40.35
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012006174	0	35	0.0	-29.38	316.64	5.13	-24.25
CC(C)OC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1F	REAL300012006175	0	42	0.0	-33.10	345.93	6.03	-27.07
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012006176	0	32	0.0	-37.68	300.26	4.74	-32.94
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012006177	0	38	0.0	-28.85	322.86	6.35	-22.50
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006178	0	35	0.0	-37.13	324.58	0.70	-36.43
CC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=NN1C1CCC1	REAL300012006179	0	42	0.0	-33.95	340.05	4.58	-29.37
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012006180	0	39	0.0	-29.91	346.01	6.84	-23.07
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006181	0	45	0.0	-27.98	357.21	6.15	-21.83
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012006182	0	35	0.0	-30.45	304.54	3.75	-26.70
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Br)C=C(C(F)(F)F)S1	REAL300012006183	0	32	0.0	-28.05	322.66	4.94	-23.11
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012006184	0	40	0.0	-28.13	352.77	5.75	-22.38
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006185	0	42	0.0	-34.66	351.75	4.78	-29.88
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012006186	0	35	0.0	-39.62	315.19	5.61	-34.01
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012006187	0	32	0.0	-29.29	309.48	5.04	-24.25
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012006188	0	39	0.0	-30.54	335.68	6.39	-24.15
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006189	0	39	0.0	-30.72	326.17	2.19	-28.53
COC1=NC(C)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C)=C1Cl	REAL300012006190	0	41	0.0	-27.52	344.72	3.33	-24.19
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012006192	0	35	0.0	-28.50	305.36	3.96	-24.54
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012006193	0	36	0.0	-28.77	315.02	4.51	-24.26
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006194	0	48	0.0	-29.47	374.70	6.74	-22.73
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012006195	0	43	0.0	-34.08	347.77	2.75	-31.33
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006196	0	46	0.0	-31.84	367.41	3.33	-28.51
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012006197	0	37	0.0	-29.20	331.45	6.25	-22.95
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012006198	0	42	0.0	-25.02	334.89	5.42	-19.60
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006199	0	34	0.0	-36.70	318.10	-1.89	-38.59
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012006200	0	31	0.0	-24.27	296.27	4.20	-20.07
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012006201	0	47	0.0	-38.34	379.83	3.65	-34.69
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006202	0	45	0.0	-31.00	359.01	5.16	-25.84
CC1=CC(Br)=C(F)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006203	0	35	0.0	-34.95	320.19	5.46	-29.49
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012006204	0	32	0.0	-36.02	312.48	5.22	-30.80
COC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1Br	REAL300012006205	0	36	0.0	-30.33	312.69	4.95	-25.38
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012006206	0	32	0.0	-38.17	300.69	4.75	-33.42
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=COC=N3)C(=O)[O-])=C2)C=N1	REAL300012006207	0	42	0.0	-34.69	352.47	5.39	-29.30
COC1=CC(F)=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1Br	REAL300012006208	0	36	0.0	-32.55	326.79	4.11	-28.44
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012006209	0	42	0.0	-35.48	355.67	7.47	-28.01
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006210	0	35	0.0	-31.72	309.79	5.37	-26.35
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006211	0	37	0.0	-31.46	321.23	3.87	-27.59
COC1=NC2=CC=C(C[NH2+]C(CC3=COC=N3)C(=O)[O-])C=C2S1	REAL300012006212	0	38	0.0	-35.37	338.08	1.96	-33.41
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012006213	0	31	0.0	-28.76	286.77	3.83	-24.93
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012006214	0	32	0.0	-31.11	305.94	5.13	-25.98
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006215	0	48	0.0	-28.84	380.91	7.40	-21.44
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012006216	0	32	0.0	-33.19	315.70	5.29	-27.90
COC1=CC(Cl)=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006217	0	36	0.0	-28.14	316.68	4.92	-23.22
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012006218	0	35	0.0	-30.28	325.17	5.49	-24.79
COC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CC(F)=C1F	REAL300012006219	0	36	0.0	-29.96	311.13	4.49	-25.47
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006220	0	39	0.0	-32.02	335.32	1.75	-30.27
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1C	REAL300012006221	0	42	0.0	-33.80	354.24	3.80	-30.00
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006222	0	38	0.0	-28.40	324.99	5.70	-22.70
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012006223	0	33	0.0	-31.40	302.71	1.74	-29.66
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012006224	0	35	0.0	-28.39	310.50	4.16	-24.23
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012006225	0	48	0.0	-30.64	375.53	7.95	-22.69
COC1=CC=CC=C1C=CC[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006226	0	40	0.0	-33.62	333.08	4.79	-28.83
CC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])SC(Br)=C1	REAL300012006227	0	32	0.0	-31.26	304.10	4.54	-26.72
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006228	0	42	0.0	-31.36	341.41	4.51	-26.85
CC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=NN1CC(F)F	REAL300012006229	0	38	0.0	-33.75	326.48	3.50	-30.25
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012006230	0	40	0.0	-31.30	339.63	5.45	-25.85
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006231	0	41	0.0	-31.83	356.05	4.41	-27.42
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006233	0	39	0.0	-32.60	335.66	3.35	-29.25
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012006234	0	45	0.0	-32.18	375.15	8.56	-23.62
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1Br	REAL300012006235	0	32	0.0	-29.78	317.76	5.61	-24.17
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012006236	0	48	0.0	-36.00	393.35	5.40	-30.60
CCN(C)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C)=C1	REAL300012006237	0	46	0.0	-30.13	361.79	6.10	-24.03
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012006238	0	31	0.0	-29.91	295.17	3.16	-26.75
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012006239	0	29	0.0	-27.86	293.81	4.13	-23.73
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006240	0	53	0.0	-27.12	395.49	7.04	-20.08
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006241	0	43	0.0	-30.99	351.39	3.53	-27.46
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012006242	0	36	0.0	-30.14	332.45	5.45	-24.69
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012006243	0	42	0.0	-30.35	359.00	7.93	-22.42
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012006244	0	35	0.0	-28.12	306.03	6.44	-21.68
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012006245	0	41	0.0	-34.50	341.77	5.77	-28.73
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006246	0	54	0.0	-30.00	429.31	10.01	-19.99
CC1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1C(F)(F)F	REAL300012006247	0	38	0.0	-36.90	318.55	5.76	-31.14
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1Br	REAL300012006248	0	35	0.0	-28.18	328.69	5.68	-22.50
CCC(C)C1=CC=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=C1	REAL300012006249	0	44	0.0	-30.72	352.35	6.74	-23.98
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012006250	0	34	0.0	-27.50	313.05	4.37	-23.13
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012006251	0	37	0.0	-31.76	338.73	4.51	-27.25
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012006252	0	39	0.0	-34.54	331.15	2.68	-31.86
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012006253	0	35	0.0	-32.69	332.32	6.29	-26.40
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=N1	REAL300012006255	0	37	0.0	-25.43	318.21	5.01	-20.42
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012006256	0	32	0.0	-34.16	305.81	4.87	-29.29
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012006257	0	32	0.0	-32.74	314.34	5.26	-27.48
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012006258	0	42	0.0	-29.54	329.02	6.50	-23.04
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012006259	0	34	0.0	-33.59	319.94	6.39	-27.20
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006260	0	39	0.0	-28.61	330.93	7.01	-21.60
COC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=CC(Br)=C1F	REAL300012006261	0	36	0.0	-29.05	328.67	4.15	-24.90
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012006262	0	35	0.0	-35.78	313.91	6.12	-29.66
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012006263	0	38	0.0	-38.66	326.03	4.06	-34.60
CC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012006264	0	41	0.0	-31.21	330.64	6.87	-24.34
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006265	0	50	0.0	-29.94	397.54	5.74	-24.20
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012006266	0	38	0.0	-27.21	334.99	7.87	-19.34
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006267	0	40	0.0	-30.12	334.55	3.56	-26.56
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012006268	0	45	0.0	-28.19	356.72	2.07	-26.12
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=COC=N1)C(=O)[O-]	REAL300012006269	0	44	0.0	-30.66	361.84	2.78	-27.88
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012006270	0	49	0.0	-27.98	382.32	6.27	-21.71
O=C([O-])C(CC1=COC=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012006271	0	46	0.0	-28.66	386.57	7.63	-21.03
CC1=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012006272	0	40	0.0	-25.49	322.74	6.09	-19.40
CC1=CC(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012006273	0	41	0.0	-35.69	343.91	5.42	-30.27
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1	REAL300012006274	0	39	0.0	-34.02	335.58	4.27	-29.75
COC1=CC=C(Br)C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])=C1O	REAL300012006275	0	37	0.0	-31.21	329.34	1.76	-29.45
CN1C=C(C[NH2+]C(CC2=COC=N2)C(=O)[O-])C(C2CCC2)=N1	REAL300012006276	0	42	0.0	-31.68	344.86	4.57	-27.11
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=C1	REAL300012006277	0	41	0.0	-27.11	339.05	9.37	-17.74
CC1=CC=C(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006278	0	41	0.0	-30.38	344.12	9.57	-20.81
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012006279	0	40	0.0	-37.34	349.00	8.65	-28.69
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1CC2C=CC1C2	REAL300012006280	0	40	0.0	-30.54	325.75	8.76	-21.78
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006281	0	47	0.0	-28.63	382.74	10.51	-18.12
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012006282	0	42	0.0	-28.43	363.01	8.05	-20.38
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012006283	0	32	0.0	-35.55	310.32	7.16	-28.39
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006284	0	45	0.0	-33.13	384.20	10.01	-23.12
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012006285	0	43	0.0	-33.46	375.08	7.65	-25.81
CCOC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1OC	REAL300012006286	0	46	0.0	-33.68	388.49	8.34	-25.34
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012006287	0	49	0.0	-31.76	417.71	11.58	-20.18
CCCCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006288	0	51	0.0	-30.54	422.39	10.77	-19.77
CC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1C	REAL300012006289	0	41	0.0	-29.50	338.22	9.41	-20.09
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1C	REAL300012006290	0	41	0.0	-28.70	344.99	9.38	-19.32
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1Br	REAL300012006291	0	39	0.0	-34.17	357.81	8.18	-25.99
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006292	0	45	0.0	-29.35	374.42	9.11	-20.24
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OC	REAL300012006293	0	52	0.0	-33.01	430.19	9.88	-23.13
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OC	REAL300012006294	0	49	0.0	-32.97	408.67	9.09	-23.88
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OC	REAL300012006295	0	47	0.0	-33.43	400.08	8.88	-24.55
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012006296	0	42	0.0	-30.00	384.87	10.63	-19.37
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012006297	0	42	0.0	-29.77	383.71	10.62	-19.15
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012006298	0	45	0.0	-34.58	390.78	9.85	-24.73
CCC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012006299	0	44	0.0	-27.56	375.28	10.07	-17.49
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012006300	0	41	0.0	-35.69	377.81	9.11	-26.58
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012006301	0	39	0.0	-32.29	352.44	8.10	-24.19
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012006302	0	39	0.0	-31.02	364.26	9.69	-21.33
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012006303	0	42	0.0	-31.09	367.88	6.00	-25.09
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(Cl)=C1	REAL300012006304	0	39	0.0	-28.80	350.05	8.03	-20.77
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012006305	0	39	0.0	-31.29	353.86	8.02	-23.27
N#CC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006306	0	36	0.0	-37.30	328.75	8.61	-28.69
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012006307	0	42	0.0	-31.96	368.53	8.15	-23.81
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006308	0	45	0.0	-32.39	380.59	8.63	-23.76
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012006309	0	39	0.0	-31.29	341.86	7.03	-24.26
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006310	0	46	0.0	-32.09	392.78	7.41	-24.68
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012006311	0	38	0.0	-29.84	344.29	9.60	-20.24
CCOC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012006312	0	54	0.0	-31.01	434.02	8.31	-22.70
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012006313	0	41	0.0	-30.92	352.60	8.68	-22.24
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])O2)C=C1	REAL300012006314	0	45	0.0	-35.36	388.20	10.82	-24.54
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])O1	REAL300012006315	0	42	0.0	-27.72	355.32	7.09	-20.63
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012006316	0	41	0.0	-28.72	357.87	6.25	-22.47
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012006317	0	50	0.0	-33.28	414.86	8.80	-24.48
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012006318	0	32	0.0	-34.11	315.14	8.02	-26.09
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012006319	0	42	0.0	-35.41	382.12	11.14	-24.27
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012006320	0	40	0.0	-32.44	347.68	8.76	-23.68
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012006321	0	48	0.0	-28.63	408.40	9.86	-18.77
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006322	0	44	0.0	-36.06	378.76	7.29	-28.77
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012006323	0	42	0.0	-36.75	366.22	9.43	-27.32
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012006324	0	41	0.0	-38.74	361.15	10.75	-27.99
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012006325	0	42	0.0	-30.22	385.10	11.18	-19.04
CCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])O1	REAL300012006326	0	38	0.0	-33.55	330.70	7.99	-25.56
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012006327	0	35	0.0	-31.11	319.85	8.38	-22.73
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012006328	0	38	0.0	-31.54	357.26	9.74	-21.80
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012006329	0	35	0.0	-27.92	324.83	8.73	-19.19
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012006330	0	35	0.0	-34.47	330.49	8.79	-25.68
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012006331	0	38	0.0	-36.14	350.89	9.24	-26.90
CCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006332	0	42	0.0	-32.12	359.25	8.45	-23.67
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1F	REAL300012006333	0	38	0.0	-29.73	333.29	8.89	-20.84
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012006334	0	35	0.0	-28.41	335.99	9.21	-19.20
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012006335	0	38	0.0	-34.72	342.84	9.36	-25.36
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012006336	0	35	0.0	-35.83	326.87	8.41	-27.42
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012006337	0	38	0.0	-34.20	350.85	9.28	-24.92
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012006338	0	38	0.0	-34.28	351.13	9.34	-24.94
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(Cl)=C1OC	REAL300012006339	0	43	0.0	-30.73	382.52	8.07	-22.66
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012006340	0	38	0.0	-29.03	345.28	9.76	-19.27
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012006341	0	35	0.0	-34.58	330.49	8.80	-25.78
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012006342	0	39	0.0	-31.50	362.50	8.44	-23.06
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012006343	0	34	0.0	-27.75	314.84	6.85	-20.90
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012006344	0	48	0.0	-34.26	412.68	9.70	-24.56
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006345	0	44	0.0	-31.85	371.77	7.88	-23.97
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006346	0	44	0.0	-26.55	385.20	8.10	-18.45
COCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006347	0	46	0.0	-32.91	390.70	7.72	-25.19
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1Cl	REAL300012006348	0	39	0.0	-34.22	353.42	8.07	-26.15
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012006349	0	40	0.0	-41.01	368.14	7.22	-33.79
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006350	0	47	0.0	-29.27	389.01	9.87	-19.40
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012006351	0	42	0.0	-34.24	377.50	8.88	-25.36
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012006352	0	41	0.0	-29.29	348.64	7.42	-21.87
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012006353	0	44	0.0	-32.04	367.69	8.32	-23.72
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006354	0	47	0.0	-27.39	395.82	10.16	-17.23
CCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006355	0	45	0.0	-30.77	378.58	9.24	-21.53
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012006356	0	42	0.0	-32.36	371.76	10.80	-21.56
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012006357	0	49	0.0	-31.13	400.64	10.45	-20.68
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006358	0	45	0.0	-30.88	375.01	9.07	-21.81
CC1=CC=C(C2=NC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CS2)C=C1	REAL300012006359	0	44	0.0	-27.17	392.83	9.64	-17.53
CC(C)C1=NC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CS1	REAL300012006360	0	40	0.0	-34.12	354.32	7.29	-26.83
CC(C)(C)C1=NC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CS1	REAL300012006361	0	43	0.0	-33.86	373.26	7.80	-26.06
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012006362	0	38	0.0	-34.92	362.44	7.98	-26.94
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012006363	0	42	0.0	-36.81	382.14	11.14	-25.67
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006364	0	49	0.0	-35.91	414.95	9.17	-26.74
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012006365	0	49	0.0	-27.57	399.42	10.48	-17.09
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])S2)C=C1	REAL300012006366	0	45	0.0	-33.71	395.80	11.71	-22.00
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006367	0	39	0.0	-28.26	368.05	8.65	-19.61
CCOC1=C(OC)C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OC	REAL300012006368	0	50	0.0	-34.72	421.63	8.29	-26.43
COCCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006369	0	49	0.0	-33.89	414.42	8.33	-25.56
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CN=C1Cl	REAL300012006370	0	37	0.0	-33.91	337.09	7.40	-26.51
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006371	0	43	0.0	-31.16	373.08	7.13	-24.03
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012006372	0	39	0.0	-27.94	356.86	8.18	-19.76
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012006373	0	48	0.0	-34.28	411.05	9.93	-24.35
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])S2)C=C1	REAL300012006374	0	44	0.0	-33.13	392.15	9.92	-23.21
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012006375	0	40	0.0	-30.13	363.01	9.23	-20.90
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012006376	0	40	0.0	-29.10	353.26	8.86	-20.24
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012006377	0	40	0.0	-30.68	352.71	8.79	-21.89
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012006378	0	40	0.0	-28.69	362.10	9.25	-19.44
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012006379	0	42	0.0	-37.44	381.29	10.31	-27.13
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])O1	REAL300012006380	0	45	0.0	-30.20	395.10	10.86	-19.34
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])O2)C=C1	REAL300012006381	0	48	0.0	-29.44	411.03	11.55	-17.89
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(OC(F)F)=C1	REAL300012006382	0	43	0.0	-31.24	373.08	7.14	-24.10
COC1=CC=C2OC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CC2=C1	REAL300012006383	0	42	0.0	-31.48	365.26	8.03	-23.45
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012006384	0	39	0.0	-33.46	355.63	10.04	-23.42
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012006385	0	41	0.0	-28.07	355.53	9.34	-18.73
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012006386	0	38	0.0	-32.20	334.49	8.56	-23.64
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012006387	0	43	0.0	-30.15	373.34	9.95	-20.20
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1Br	REAL300012006388	0	38	0.0	-29.50	347.38	9.40	-20.10
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N=C1	REAL300012006389	0	37	0.0	-35.04	324.29	7.12	-27.92
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012006390	0	39	0.0	-37.10	350.82	9.62	-27.48
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1Br	REAL300012006391	0	38	0.0	-30.88	347.39	9.42	-21.46
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012006392	0	42	0.0	-36.83	365.45	9.38	-27.45
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012006393	0	32	0.0	-25.14	310.80	7.72	-17.42
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012006394	0	40	0.0	-31.00	360.38	8.61	-22.39
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012006395	0	39	0.0	-37.17	346.27	8.31	-28.86
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012006396	0	39	0.0	-35.35	346.17	8.31	-27.04
CCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012006397	0	41	0.0	-35.68	355.58	5.84	-29.84
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012006398	0	43	0.0	-32.46	367.81	9.38	-23.08
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1Cl	REAL300012006399	0	38	0.0	-30.37	342.05	9.27	-21.10
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012006400	0	37	0.0	-32.90	338.46	7.66	-25.24
CCCC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006401	0	44	0.0	-28.87	370.96	10.39	-18.48
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1F	REAL300012006402	0	49	0.0	-33.18	407.05	9.35	-23.83
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C(SC)C=C1OC	REAL300012006403	0	47	0.0	-30.94	402.23	8.43	-22.51
COC1=CC=C2N=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])SC2=C1	REAL300012006404	0	41	0.0	-31.73	368.21	7.06	-24.67
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006405	0	41	0.0	-30.34	371.01	9.16	-21.18
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1C#N	REAL300012006406	0	40	0.0	-39.56	356.28	7.89	-31.67
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012006407	0	39	0.0	-31.01	356.36	9.45	-21.56
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006408	0	41	0.0	-27.26	352.50	9.64	-17.62
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012006409	0	39	0.0	-34.75	352.06	7.83	-26.92
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N=C1	REAL300012006410	0	41	0.0	-27.65	352.98	6.55	-21.10
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006411	0	41	0.0	-29.84	356.71	9.72	-20.12
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012006412	0	43	0.0	-34.55	386.57	8.06	-26.49
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OCC(C)C	REAL300012006413	0	52	0.0	-33.27	430.10	9.82	-23.45
CCCOC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1OC	REAL300012006414	0	49	0.0	-32.95	408.67	9.09	-23.86
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Br)S1	REAL300012006415	0	32	0.0	-34.10	319.78	8.13	-25.97
CCOC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012006416	0	46	0.0	-34.30	408.42	8.98	-25.32
C=CCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006417	0	43	0.0	-31.66	370.83	9.00	-22.66
COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1OC(C)C	REAL300012006418	0	49	0.0	-28.34	406.00	9.34	-19.00
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OC	REAL300012006419	0	46	0.0	-33.84	406.28	9.01	-24.83
CCCOC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=CC=C1OCC	REAL300012006420	0	52	0.0	-32.59	417.37	9.85	-22.74
CCCCOC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1OC	REAL300012006421	0	52	0.0	-33.31	431.49	9.92	-23.39
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OC(F)F	REAL300012006422	0	43	0.0	-31.44	375.09	7.66	-23.78
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012006423	0	45	0.0	-34.01	383.03	9.21	-24.80
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-])OC(C)C2	REAL300012006424	0	50	0.0	-30.42	414.90	9.12	-21.30
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012006425	0	45	0.0	-37.21	380.25	7.28	-29.93
CCCCN1N=C(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1Cl	REAL300012006426	0	47	0.0	-29.49	410.84	9.27	-20.22
CC1=CC(C)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1C	REAL300012006427	0	44	0.0	-30.18	361.13	10.10	-20.08
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012006428	0	42	0.0	-33.75	374.41	11.03	-22.72
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012006429	0	42	0.0	-33.79	382.85	10.30	-23.49
CC(C)(C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012006430	0	44	0.0	-30.12	354.60	9.89	-20.23
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012006431	0	51	0.0	-30.99	412.56	9.75	-21.24
CC1CCC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012006432	0	44	0.0	-29.17	341.35	8.91	-20.26
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006433	0	47	0.0	-31.42	385.55	11.07	-20.35
CCC1CCCC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012006434	0	47	0.0	-30.86	367.98	9.81	-21.05
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-])=N2	REAL300012006435	0	47	0.0	-30.94	392.18	8.87	-22.07
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006436	0	41	0.0	-26.24	353.36	9.78	-16.46
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CC2=C1	REAL300012006437	0	44	0.0	-29.91	374.07	9.96	-19.95
CCCC1CCC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012006438	0	50	0.0	-29.64	389.43	10.57	-19.07
CC1CCCCC1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006439	0	44	0.0	-34.12	339.30	8.88	-25.24
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012006440	0	42	0.0	-30.90	378.84	8.60	-22.30
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012006441	0	42	0.0	-36.09	363.82	10.61	-25.48
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012006442	0	42	0.0	-39.37	376.52	10.30	-29.07
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012006443	0	41	0.0	-35.87	368.34	7.99	-27.88
CCCCC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012006444	0	50	0.0	-27.73	419.44	11.65	-16.08
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012006445	0	44	0.0	-34.64	384.63	8.70	-25.94
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006446	0	42	0.0	-28.13	355.27	8.24	-19.89
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1F	REAL300012006447	0	39	0.0	-35.27	342.30	7.55	-27.72
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012006448	0	44	0.0	-32.74	359.24	9.24	-23.50
CC(C)C1CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])CCO1	REAL300012006449	0	48	0.0	-37.15	378.99	8.35	-28.80
CC1(C)CCC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012006450	0	47	0.0	-29.26	361.52	9.41	-19.85
CCSC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006451	0	42	0.0	-32.05	369.57	10.08	-21.97
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012006452	1	36	0.0	-27.30	337.73	5.91	-21.39
COC1(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])CCCCC1	REAL300012006453	0	45	0.0	-27.03	346.98	7.47	-19.56
CCN1N=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012006454	0	44	0.0	-33.90	378.31	9.04	-24.86
COCCC1(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])CCCCC1	REAL300012006455	0	51	0.0	-31.00	381.42	8.36	-22.64
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006456	0	45	0.0	-30.55	379.39	9.21	-21.34
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012006457	0	38	0.0	-29.38	334.45	8.71	-20.67
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012006458	0	42	0.0	-35.96	368.13	10.18	-25.78
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012006459	0	49	0.0	-32.99	405.10	8.92	-24.07
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OCC	REAL300012006460	0	52	0.0	-32.72	430.53	10.02	-22.70
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012006461	0	40	0.0	-39.64	350.79	9.38	-30.26
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006462	0	45	0.0	-30.67	375.81	9.04	-21.63
CC(C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012006463	0	56	0.0	-30.68	439.45	12.57	-18.11
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1F	REAL300012006464	0	38	0.0	-31.17	333.30	8.89	-22.28
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012006465	0	39	0.0	-28.21	337.35	8.20	-20.01
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(Br)C=CS1	REAL300012006466	0	32	0.0	-27.27	316.02	7.83	-19.44
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012006467	0	48	0.0	-28.97	387.52	7.64	-21.33
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012006468	0	35	0.0	-28.77	330.57	8.91	-19.86
CC(C)CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006469	0	47	0.0	-29.15	389.00	10.91	-18.24
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=C2)C=C1	REAL300012006470	0	48	0.0	-31.54	403.51	12.31	-19.23
COC1=CC=C(Br)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006471	0	39	0.0	-29.48	347.47	8.02	-21.46
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012006472	0	41	0.0	-37.44	362.11	8.91	-28.53
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012006473	0	35	0.0	-30.53	340.00	9.20	-21.33
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012006474	0	35	0.0	-31.07	329.68	8.77	-22.30
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006475	0	41	0.0	-26.88	340.82	9.29	-17.59
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012006476	0	32	0.0	-30.22	310.35	7.00	-23.22
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006477	0	48	0.0	-32.62	403.94	12.38	-20.24
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012006478	0	39	0.0	-33.57	347.15	7.81	-25.76
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OCC	REAL300012006479	0	49	0.0	-33.02	409.03	9.21	-23.81
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012006480	0	35	0.0	-29.92	330.18	8.84	-21.08
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012006481	0	38	0.0	-35.89	359.79	9.64	-26.25
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012006482	0	35	0.0	-27.29	328.41	8.83	-18.46
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012006483	0	39	0.0	-32.84	353.89	8.02	-24.82
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012006484	0	35	0.0	-29.96	328.85	8.79	-21.17
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006485	0	49	0.0	-31.86	416.06	11.29	-20.57
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012006486	0	35	0.0	-31.78	319.36	8.32	-23.46
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012006487	0	35	0.0	-30.21	329.62	8.82	-21.39
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C2=CC=CC=C12	REAL300012006488	0	45	0.0	-30.49	373.78	9.63	-20.86
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012006489	0	42	0.0	-32.31	365.25	8.22	-24.09
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012006489	1	42	0.0	-28.10	366.41	8.15	-19.95
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012006490	0	35	0.0	-30.94	319.73	8.38	-22.56
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006491	0	41	0.0	-29.94	352.97	8.60	-21.34
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=N1	REAL300012006492	0	38	0.0	-31.88	333.58	4.88	-27.00
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012006493	0	40	0.0	-31.99	343.75	8.07	-23.92
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CSC(Br)=C1	REAL300012006494	0	32	0.0	-31.09	318.20	7.87	-23.22
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012006495	0	45	0.0	-31.62	382.11	11.63	-19.99
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012006496	0	48	0.0	-31.48	403.11	9.52	-21.96
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012006497	0	46	0.0	-34.99	381.80	8.21	-26.78
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012006498	0	39	0.0	-29.47	336.68	8.17	-21.30
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006499	0	38	0.0	-29.19	324.04	8.77	-20.42
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012006500	0	35	0.0	-34.42	334.90	8.90	-25.52
CC1=NC(C)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006501	0	37	0.0	-32.22	333.74	6.76	-25.46
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012006502	0	44	0.0	-35.14	379.52	10.12	-25.02
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012006503	0	44	0.0	-34.91	377.10	9.94	-24.97
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012006504	0	44	0.0	-35.44	375.14	9.87	-25.57
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006505	0	50	0.0	-28.58	399.93	8.71	-19.87
CN1CCN(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])C=C2)CC1	REAL300012006506	1	52	0.0	-29.98	415.76	6.89	-23.09
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012006507	0	44	0.0	-34.20	387.86	6.68	-27.52
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006508	0	42	0.0	-39.25	364.33	6.51	-32.74
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012006509	0	42	0.0	-34.76	370.97	9.50	-25.26
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012006510	0	42	0.0	-35.22	383.44	10.03	-25.19
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012006511	0	42	0.0	-33.63	377.47	8.88	-24.75
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012006512	0	41	0.0	-32.40	351.84	10.47	-21.93
COC1=C2OC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CC2=CC=C1	REAL300012006513	0	42	0.0	-38.89	363.93	8.07	-30.82
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012006514	0	46	0.0	-40.28	392.98	10.72	-29.56
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006515	0	51	0.0	-32.40	424.53	10.63	-21.77
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012006516	0	35	0.0	-29.92	333.42	8.90	-21.02
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012006517	0	35	0.0	-28.90	332.58	8.86	-20.04
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC(OC)=C1	REAL300012006518	0	43	0.0	-31.80	366.86	6.84	-24.96
COC1=CC2=CC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])C=C2C=C1	REAL300012006519	0	45	0.0	-33.69	381.18	9.77	-23.92
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(Br)=CS1	REAL300012006521	0	32	0.0	-31.54	318.25	7.98	-23.56
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006522	0	48	0.0	-32.06	402.89	10.27	-21.79
COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1OC(F)F	REAL300012006523	0	43	0.0	-31.26	374.73	7.86	-23.40
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012006524	0	39	0.0	-36.81	368.41	8.87	-27.94
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012006525	0	41	0.0	-29.46	358.22	7.28	-22.18
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012006527	0	35	0.0	-33.86	333.58	8.84	-25.02
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012006528	0	50	0.0	-29.41	399.51	9.46	-19.95
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006529	0	54	0.0	-31.90	445.24	11.60	-20.30
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1SC	REAL300012006530	0	43	0.0	-33.37	376.80	8.57	-24.80
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006531	0	46	0.0	-38.80	400.28	9.73	-29.07
CCC(C)OC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1OC	REAL300012006532	0	52	0.0	-32.38	427.18	9.75	-22.63
C=C(C)COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1OC	REAL300012006533	0	50	0.0	-33.13	419.49	9.65	-23.48
C=CCC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC(OC)=C1O	REAL300012006534	0	47	0.0	-34.09	400.59	7.37	-26.72
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012006535	0	42	0.0	-35.58	365.96	8.18	-27.40
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006536	0	44	0.0	-36.19	383.92	9.17	-27.02
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012006537	0	41	0.0	-31.26	360.81	8.04	-23.22
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012006538	0	41	0.0	-30.38	369.71	9.02	-21.36
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012006539	0	48	0.0	-34.03	400.62	7.32	-26.71
CN1C=NC2=CC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CC=C21	REAL300012006540	0	41	0.0	-37.60	356.29	9.56	-28.04
CCN1N=C(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1C	REAL300012006541	0	44	0.0	-31.88	371.56	7.87	-24.01
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1Cl	REAL300012006542	0	43	0.0	-34.28	388.18	9.58	-24.70
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012006543	0	41	0.0	-33.21	370.75	9.24	-23.97
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012006544	0	47	0.0	-28.32	392.15	8.08	-20.24
CC1(C)CC2=CC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CC=C2O1	REAL300012006545	0	46	0.0	-31.41	383.98	9.43	-21.98
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012006546	0	41	0.0	-37.53	363.21	6.68	-30.85
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012006547	0	38	0.0	-27.43	363.05	8.01	-19.42
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006548	0	45	0.0	-41.83	381.90	8.89	-32.94
CC1=CC=C(F)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006549	0	38	0.0	-33.63	333.80	9.02	-24.61
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006550	0	38	0.0	-28.39	325.76	8.83	-19.56
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012006551	0	38	0.0	-34.48	363.34	9.79	-24.69
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(Br)=C1	REAL300012006552	0	38	0.0	-27.11	345.57	9.50	-17.61
CC1=NC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006553	0	37	0.0	-30.85	314.54	6.94	-23.91
CC(C)COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006554	0	48	0.0	-30.92	400.82	9.95	-20.97
COCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006555	0	46	0.0	-33.08	391.52	7.68	-25.40
CC1(C)CCCC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012006556	0	47	0.0	-30.28	361.54	9.41	-20.87
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012006557	0	39	0.0	-33.59	361.86	8.31	-25.28
CC1=CCCC(C)C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006558	0	45	0.0	-27.90	346.41	9.45	-18.45
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-])OCO2	REAL300012006559	0	42	0.0	-32.35	362.06	6.25	-26.10
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012006560	0	40	0.0	-29.11	339.15	8.42	-20.69
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006561	0	48	0.0	-31.19	399.53	9.91	-21.28
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006562	0	38	0.0	-28.50	334.38	9.20	-19.30
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012006563	0	39	0.0	-33.61	343.99	9.56	-24.05
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012006564	0	34	0.0	-32.45	318.28	6.83	-25.62
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012006565	0	34	0.0	-34.05	324.04	7.11	-26.94
CN1N=NC2=CC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CC=C21	REAL300012006566	0	40	0.0	-40.45	351.88	6.67	-33.78
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1CCCCCC1	REAL300012006567	0	44	0.0	-29.42	340.05	9.00	-20.42
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=C2O1	REAL300012006568	0	46	0.0	-29.17	385.09	9.51	-19.66
COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012006569	0	38	0.0	-35.85	333.72	4.91	-30.94
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012006570	0	45	0.0	-31.95	381.20	9.24	-22.71
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012006571	0	42	0.0	-37.14	364.93	9.38	-27.76
CC(C)N1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=N1	REAL300012006572	0	41	0.0	-32.43	348.76	7.41	-25.02
CC1=C(Br)SC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006573	0	35	0.0	-28.15	338.07	8.62	-19.53
CC1=NC2=CC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])C=C2C=C1	REAL300012006574	0	43	0.0	-33.65	370.57	9.19	-24.46
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012006575	0	37	0.0	-31.33	324.63	7.15	-24.18
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])C=C2)=C1	REAL300012006576	0	51	0.0	-31.43	424.88	12.97	-18.46
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012006577	0	44	0.0	-35.61	376.83	11.67	-23.94
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012006578	0	38	0.0	-30.29	340.87	8.78	-21.51
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012006579	0	42	0.0	-35.78	370.91	8.73	-27.05
COCC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006580	0	42	0.0	-31.76	362.95	7.94	-23.82
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006581	0	48	0.0	-27.56	398.71	10.09	-17.47
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012006582	0	46	0.0	-31.94	407.14	12.29	-19.65
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012006583	0	45	0.0	-29.38	382.70	9.08	-20.30
COC1=CC(C)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OC	REAL300012006584	0	46	0.0	-33.54	379.21	8.03	-25.51
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006585	0	41	0.0	-39.19	371.93	9.17	-30.02
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012006586	0	39	0.0	-30.79	350.54	6.95	-23.84
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012006587	0	45	0.0	-39.49	396.38	9.96	-29.53
CC1CCC2=C(C1)SC(C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-])=N2	REAL300012006588	0	44	0.0	-29.22	377.19	8.64	-20.58
CC(C)(C)C1CCC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012006589	0	53	0.0	-29.12	390.65	10.30	-18.82
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006590	0	49	0.0	-30.36	410.14	11.07	-19.29
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006591	0	49	0.0	-29.96	407.97	10.98	-18.98
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C(C)O1	REAL300012006592	0	38	0.0	-32.24	328.34	7.86	-24.38
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006593	0	48	0.0	-33.31	405.32	9.31	-24.00
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012006594	0	46	0.0	-30.80	389.57	9.99	-20.81
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1Cl	REAL300012006595	0	39	0.0	-30.25	366.08	8.59	-21.66
CC(C)CC1=NC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006596	0	43	0.0	-29.51	372.95	8.14	-21.37
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012006597	0	38	0.0	-33.52	362.62	8.31	-25.21
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012006598	0	38	0.0	-32.93	361.89	8.19	-24.74
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])S2)O1	REAL300012006599	0	41	0.0	-35.97	377.59	8.22	-27.75
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006600	0	38	0.0	-28.46	338.94	9.31	-19.15
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012006601	0	42	0.0	-30.20	368.62	8.16	-22.04
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012006602	0	44	0.0	-32.48	381.50	9.93	-22.55
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012006603	0	38	0.0	-27.69	352.03	9.17	-18.52
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006604	0	46	0.0	-30.33	391.50	7.84	-22.49
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006605	0	39	0.0	-27.86	355.72	8.26	-19.60
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012006606	0	38	0.0	-29.56	337.18	7.42	-22.14
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012006607	0	42	0.0	-28.36	370.92	8.58	-19.78
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006608	0	39	0.0	-30.95	336.04	7.49	-23.46
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012006609	0	42	0.0	-30.50	374.55	10.18	-20.32
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006610	0	43	0.0	-29.22	373.39	7.97	-21.25
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012006611	0	41	0.0	-31.98	352.41	7.38	-24.60
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012006612	0	35	0.0	-31.40	327.86	8.80	-22.60
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012006613	0	35	0.0	-31.39	323.30	8.70	-22.69
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012006614	0	42	0.0	-37.12	366.70	9.51	-27.61
CC(C)(C)N1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=N1	REAL300012006615	0	44	0.0	-32.93	370.62	8.05	-24.88
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC(C)=C1	REAL300012006616	0	41	0.0	-31.66	350.69	9.62	-22.04
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(CO)O1	REAL300012006617	0	36	0.0	-37.06	320.63	3.86	-33.20
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006618	0	42	0.0	-37.56	362.62	7.08	-30.48
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012006619	0	35	0.0	-25.52	319.74	8.70	-16.82
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012006620	0	37	0.0	-40.58	336.11	8.90	-31.68
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012006621	0	37	0.0	-37.12	334.76	8.86	-28.26
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012006622	0	41	0.0	-29.05	346.71	10.35	-18.70
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006623	0	43	0.0	-29.37	358.05	8.59	-20.78
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006624	0	49	0.0	-29.34	402.99	10.53	-18.81
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012006625	0	35	0.0	-31.05	329.15	8.85	-22.20
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012006626	0	35	0.0	-31.06	324.59	8.75	-22.31
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC(OC)=C1OC	REAL300012006627	0	47	0.0	-34.85	399.78	7.35	-27.50
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012006628	0	35	0.0	-28.71	323.22	8.59	-20.12
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012006629	0	35	0.0	-31.78	314.27	8.30	-23.48
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012006630	0	39	0.0	-29.63	343.61	7.85	-21.78
COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1OC	REAL300012006631	0	43	0.0	-28.40	364.50	7.47	-20.93
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012006632	0	35	0.0	-28.37	337.30	9.25	-19.12
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012006633	0	48	0.0	-31.41	391.87	7.06	-24.35
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OC	REAL300012006634	0	43	0.0	-33.35	365.32	7.37	-25.98
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(OC)=C1	REAL300012006635	0	43	0.0	-29.00	363.33	6.86	-22.14
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012006636	0	38	0.0	-32.00	345.27	9.19	-22.81
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012006637	0	35	0.0	-30.38	319.86	8.38	-22.00
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012006638	0	35	0.0	-27.73	333.60	9.12	-18.61
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012006639	0	35	0.0	-33.57	339.81	9.20	-24.37
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012006640	0	39	0.0	-32.32	347.11	7.81	-24.51
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012006641	0	38	0.0	-38.19	334.34	9.27	-28.92
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006642	0	48	0.0	-31.13	402.21	10.04	-21.09
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006643	0	51	0.0	-30.51	418.46	10.52	-19.99
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006644	0	54	0.0	-30.47	443.89	11.56	-18.91
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012006645	0	46	0.0	-33.48	395.23	11.02	-22.46
COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006646	0	39	0.0	-31.59	336.07	7.49	-24.10
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006647	0	42	0.0	-30.37	354.74	9.97	-20.40
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OC	REAL300012006648	0	46	0.0	-33.77	388.49	8.34	-25.43
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006649	0	44	0.0	-29.27	368.08	10.16	-19.11
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012006650	0	38	0.0	-33.31	345.31	9.17	-24.14
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(OC)=C1OC	REAL300012006651	0	47	0.0	-29.81	392.49	7.24	-22.57
CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006652	0	42	0.0	-28.62	357.87	8.59	-20.03
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006653	0	42	0.0	-31.36	359.21	8.45	-22.91
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1F	REAL300012006654	0	35	0.0	-26.37	311.10	8.23	-18.14
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012006655	0	35	0.0	-32.36	312.98	8.25	-24.11
COC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006656	0	39	0.0	-29.53	334.62	7.56	-21.97
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])SC=C1	REAL300012006657	0	35	0.0	-30.44	314.43	7.89	-22.55
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006658	0	39	0.0	-29.78	355.16	8.19	-21.59
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012006659	0	45	0.0	-30.81	380.75	11.60	-19.21
CC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006660	0	38	0.0	-29.56	320.51	8.84	-20.72
COC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012006661	0	45	0.0	-28.60	376.93	9.66	-18.94
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006662	0	38	0.0	-29.56	329.26	8.91	-20.65
N#CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006663	0	36	0.0	-35.09	327.39	8.58	-26.51
CSC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006664	0	39	0.0	-31.39	348.07	9.25	-22.14
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012006665	0	35	0.0	-26.27	336.02	9.05	-17.22
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006666	0	47	0.0	-31.93	393.36	6.81	-25.12
CC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006667	0	38	0.0	-28.96	327.99	8.84	-20.12
CCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006668	0	41	0.0	-29.40	350.74	9.67	-19.73
CC1=CC(C)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=C1	REAL300012006669	0	44	0.0	-27.93	358.23	9.87	-18.06
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012006670	0	35	0.0	-29.02	317.20	8.23	-20.79
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012006671	0	35	0.0	-35.20	319.28	8.31	-26.89
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012006672	0	49	0.0	-32.19	416.99	11.51	-20.68
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006673	0	35	0.0	-27.39	318.68	8.09	-19.30
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1Br	REAL300012006674	0	35	0.0	-24.96	323.32	8.81	-16.15
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1O	REAL300012006675	0	40	0.0	-34.25	348.15	5.36	-28.89
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006676	0	41	0.0	-29.45	346.42	6.89	-22.56
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006677	0	38	0.0	-29.45	344.69	6.82	-22.63
CCC1=NN(C)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006678	0	41	0.0	-32.72	351.82	7.41	-25.31
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012006679	0	38	0.0	-35.59	347.94	7.39	-28.20
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012006680	0	47	0.0	-29.52	374.11	8.29	-21.23
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Cl)O1	REAL300012006681	0	32	0.0	-35.69	305.69	7.05	-28.64
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006682	0	47	0.0	-34.34	400.71	10.04	-24.30
CCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1OC	REAL300012006683	0	46	0.0	-28.00	387.20	8.50	-19.50
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OCC(N)=O	REAL300012006684	0	47	0.0	-41.45	403.90	5.34	-36.11
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006685	0	41	0.0	-29.74	363.66	9.13	-20.61
CC1=NOC(C)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006686	0	37	0.0	-31.85	323.68	7.04	-24.81
CC1=NC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CS1	REAL300012006687	0	34	0.0	-34.94	314.44	6.01	-28.93
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012006688	0	42	0.0	-34.13	362.15	6.13	-28.00
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012006689	0	41	0.0	-30.23	361.02	7.96	-22.27
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-])OC(C)C2	REAL300012006690	0	47	0.0	-31.21	390.87	8.17	-23.04
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CS1	REAL300012006691	0	44	0.0	-33.04	386.51	8.05	-24.99
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1C	REAL300012006692	0	42	0.0	-31.30	357.47	8.26	-23.04
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006693	0	44	0.0	-30.18	355.25	7.15	-23.03
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006694	0	43	0.0	-27.54	362.88	6.90	-20.64
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006695	0	39	0.0	-33.09	340.56	7.59	-25.50
CSC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006696	0	36	0.0	-33.14	341.39	8.62	-24.52
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006697	0	48	0.0	-27.56	397.85	12.10	-15.46
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012006698	0	38	0.0	-34.03	333.91	6.88	-27.15
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012006699	0	32	0.0	-27.89	312.05	7.73	-20.16
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006700	0	41	0.0	-38.29	367.23	5.71	-32.58
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006701	0	39	0.0	-30.54	340.26	7.64	-22.90
NC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006702	0	39	0.0	-39.13	342.40	5.01	-34.12
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1F	REAL300012006703	0	39	0.0	-33.70	342.30	7.54	-26.16
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006704	0	39	0.0	-29.79	350.59	8.08	-21.71
COC(=O)C1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CN1C	REAL300012006705	0	42	0.0	-40.68	365.13	8.41	-32.27
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1Cl	REAL300012006706	0	38	0.0	-29.59	343.35	9.33	-20.26
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1C	REAL300012006707	0	42	0.0	-29.91	356.15	8.22	-21.69
CC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1F	REAL300012006708	0	38	0.0	-29.17	333.77	8.96	-20.21
N#CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(F)=C1	REAL300012006709	0	36	0.0	-33.89	332.94	8.66	-25.23
CC1=NNC(C)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006710	0	38	0.0	-31.02	326.21	5.69	-25.33
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012006711	0	48	0.0	-33.86	411.93	9.82	-24.04
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012006712	0	34	0.0	-27.18	322.87	6.94	-20.24
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012006713	0	44	0.0	-33.82	380.24	5.57	-28.25
C#CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006714	0	44	0.0	-31.30	385.17	9.74	-21.56
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012006715	0	38	0.0	-29.58	333.55	8.69	-20.89
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])C=C12	REAL300012006716	0	43	0.0	-37.48	374.13	7.96	-29.52
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012006717	0	38	0.0	-34.65	343.00	7.48	-27.17
CCC1=NC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CS1	REAL300012006718	0	37	0.0	-34.17	334.60	6.73	-27.44
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012006719	0	38	0.0	-29.02	351.59	9.24	-19.78
CC1=NN(C)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006720	0	38	0.0	-32.54	328.94	6.55	-25.99
CCOCC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1OC	REAL300012006721	0	49	0.0	-28.94	410.18	8.39	-20.55
CCN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=N1	REAL300012006722	0	38	0.0	-33.76	332.22	6.96	-26.80
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006723	0	39	0.0	-40.32	342.43	5.00	-35.32
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012006724	0	38	0.0	-40.05	345.08	7.79	-32.26
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1CCCCCCC1	REAL300012006725	0	47	0.0	-29.35	349.21	9.38	-19.97
CC1=CSC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012006726	0	34	0.0	-29.90	314.46	6.02	-23.88
COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1F	REAL300012006727	0	39	0.0	-30.80	342.75	7.62	-23.18
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012006728	0	35	0.0	-27.96	325.95	8.64	-19.32
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012006729	0	42	0.0	-32.19	353.39	10.21	-21.98
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CSC=C1Br	REAL300012006730	0	32	0.0	-27.52	316.18	7.80	-19.72
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006731	0	48	0.0	-27.22	389.66	9.65	-17.57
CCN1N=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006732	0	38	0.0	-29.49	322.54	6.60	-22.89
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012006733	0	41	0.0	-30.98	355.10	7.93	-23.05
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012006734	0	35	0.0	-31.07	334.25	8.87	-22.20
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012006735	0	40	0.0	-34.02	348.87	8.70	-25.32
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012006736	0	35	0.0	-27.67	327.71	8.80	-18.87
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])SC=N1	REAL300012006737	0	34	0.0	-32.51	311.78	6.04	-26.47
COC1=CC(F)=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006738	0	39	0.0	-33.16	341.64	7.59	-25.57
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012006739	0	35	0.0	-30.13	334.04	8.92	-21.21
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=N1	REAL300012006740	0	45	0.0	-32.90	379.48	8.18	-24.72
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=CS1	REAL300012006741	0	35	0.0	-27.10	311.25	7.83	-19.27
CS(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006742	0	40	0.0	-43.44	360.07	6.82	-36.62
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012006743	0	45	0.0	-31.58	370.57	10.79	-20.79
N#CC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012006744	0	35	0.0	-32.04	322.53	6.64	-25.40
COC(=O)C1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CN1	REAL300012006745	0	39	0.0	-38.63	348.20	6.62	-32.01
COCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])O1	REAL300012006746	0	39	0.0	-36.08	342.88	6.27	-29.81
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=C1OC	REAL300012006747	0	46	0.0	-31.83	380.14	8.05	-23.78
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012006748	0	32	0.0	-28.55	328.84	8.29	-20.26
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006749	0	37	0.0	-33.81	324.22	7.03	-26.78
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006750	0	42	0.0	-28.07	355.27	8.24	-19.83
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CS1	REAL300012006751	0	35	0.0	-31.59	319.73	8.05	-23.54
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N=N1	REAL300012006752	0	36	0.0	-40.32	319.39	6.00	-34.32
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012006753	0	34	0.0	-32.89	333.93	6.64	-26.25
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006754	0	41	0.0	-39.56	368.58	5.74	-33.82
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012006755	0	32	0.0	-31.73	313.66	7.87	-23.86
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012006756	0	48	0.0	-29.13	392.03	11.44	-17.69
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N(C)N=C1	REAL300012006757	0	38	0.0	-32.08	326.63	6.40	-25.68
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006758	0	38	0.0	-32.94	343.86	9.39	-23.55
COCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006759	0	42	0.0	-30.80	361.60	7.92	-22.88
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012006760	0	42	0.0	-30.26	365.51	9.89	-20.37
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012006761	0	42	0.0	-29.54	357.08	10.34	-19.20
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012006762	0	31	0.0	-31.71	309.74	5.98	-25.73
C=CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=N1	REAL300012006763	0	36	0.0	-36.51	320.33	7.23	-29.28
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012006764	0	45	0.0	-30.07	372.73	8.69	-21.38
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006765	0	45	0.0	-29.28	380.38	9.88	-19.40
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012006766	0	38	0.0	-31.25	338.72	9.06	-22.19
COC1=CC(C)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=N1	REAL300012006767	0	44	0.0	-28.89	363.60	5.82	-23.07
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006768	0	39	0.0	-27.35	350.08	8.00	-19.35
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006769	0	45	0.0	-30.80	370.82	8.87	-21.93
CC1=NC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012006770	0	45	0.0	-31.78	386.90	10.58	-21.20
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=NN1C	REAL300012006771	0	38	0.0	-30.02	325.21	6.42	-23.60
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1C	REAL300012006772	0	47	0.0	-31.04	390.92	8.55	-22.49
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012006773	0	40	0.0	-34.89	348.55	7.91	-26.98
COCCN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=N1	REAL300012006774	0	42	0.0	-36.89	365.89	6.01	-30.88
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012006775	0	45	0.0	-28.80	372.30	10.77	-18.03
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012006776	0	45	0.0	-30.95	381.05	9.79	-21.16
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1F	REAL300012006777	0	42	0.0	-35.71	365.47	8.52	-27.19
COC1=CC=CC2=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])C=CC=C12	REAL300012006778	0	45	0.0	-30.29	375.07	9.70	-20.59
N#CC1=CSC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006779	0	33	0.0	-37.21	319.14	7.81	-29.40
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1C#N	REAL300012006780	0	40	0.0	-38.03	357.60	7.93	-30.10
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006781	0	45	0.0	-28.22	383.21	10.05	-18.17
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012006782	0	34	0.0	-31.39	333.23	6.60	-24.79
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1C#N	REAL300012006783	0	39	0.0	-35.52	347.90	9.11	-26.41
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(Br)=C1	REAL300012006784	0	39	0.0	-28.10	353.64	8.13	-19.97
CC1=CN=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006785	0	34	0.0	-29.84	314.57	6.22	-23.62
CC(C)CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=N1	REAL300012006786	0	44	0.0	-33.15	369.08	8.55	-24.60
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012006787	0	42	0.0	-27.97	347.10	10.11	-17.86
CC1=CC(Br)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006788	0	35	0.0	-27.46	339.46	8.68	-18.78
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006789	0	50	0.0	-36.11	416.26	10.89	-25.22
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006790	0	45	0.0	-25.58	396.95	10.92	-14.66
CCC1=CN=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006791	0	37	0.0	-29.11	334.74	6.98	-22.13
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CC=C21	REAL300012006792	0	46	0.0	-36.79	384.60	9.15	-27.64
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006793	0	42	0.0	-30.24	367.18	8.60	-21.64
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012006794	0	41	0.0	-35.29	376.09	9.51	-25.78
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012006795	0	46	0.0	-29.13	404.12	10.59	-18.54
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006796	0	44	0.0	-32.47	371.29	8.00	-24.47
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012006797	0	44	0.0	-29.84	379.78	8.86	-20.98
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012006798	0	38	0.0	-32.54	344.47	7.88	-24.66
CC(C)C1=NC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006799	0	40	0.0	-31.87	354.69	7.53	-24.34
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012006800	0	38	0.0	-35.29	353.52	7.32	-27.97
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])C=C2)C=N1	REAL300012006801	0	45	0.0	-34.72	386.66	9.48	-25.24
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012006802	0	38	0.0	-33.96	343.06	7.18	-26.78
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012006803	0	45	0.0	-34.79	392.52	9.48	-25.31
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012006804	0	46	0.0	-37.13	406.95	9.79	-27.34
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N1	REAL300012006805	0	43	0.0	-41.51	365.18	6.48	-35.03
NC(=O)C1=CSC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006806	0	36	0.0	-36.13	332.06	4.09	-32.04
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=N1	REAL300012006807	0	49	0.0	-34.78	414.96	10.61	-24.17
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006808	0	47	0.0	-30.24	390.60	8.38	-21.86
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012006809	0	41	0.0	-32.18	361.11	8.36	-23.82
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012006810	0	42	0.0	-35.58	371.94	6.50	-29.08
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N=N1	REAL300012006811	0	44	0.0	-30.95	381.94	8.95	-22.00
CN1N=C(Br)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006812	0	35	0.0	-33.33	328.88	6.25	-27.08
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])S2)C=N1	REAL300012006813	0	42	0.0	-35.57	379.67	8.90	-26.67
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012006814	0	47	0.0	-37.03	385.61	9.13	-27.90
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006815	0	42	0.0	-28.29	375.33	9.18	-19.11
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006816	0	41	0.0	-28.54	347.34	9.50	-19.04
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012006817	0	35	0.0	-27.61	340.77	9.21	-18.40
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012006818	0	35	0.0	-35.24	322.79	6.16	-29.08
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006819	0	46	0.0	-29.89	393.48	8.60	-21.29
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012006820	0	39	0.0	-29.13	357.84	8.11	-21.02
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012006821	0	42	0.0	-32.01	364.58	9.04	-22.97
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012006822	0	48	0.0	-34.92	400.83	9.98	-24.94
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012006823	0	48	0.0	-28.56	401.61	9.75	-18.81
CC(C)C1=CN=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006824	0	40	0.0	-30.94	356.04	7.51	-23.43
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012006826	0	38	0.0	-31.33	342.04	7.69	-23.64
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012006827	0	41	0.0	-26.09	365.02	11.78	-14.31
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006828	0	45	0.0	-34.17	384.41	8.76	-25.41
COCCCN1N=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006829	0	45	0.0	-31.25	380.76	6.66	-24.59
CC1=CC(F)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(Cl)=C1	REAL300012006830	0	38	0.0	-30.32	348.64	9.40	-20.92
COCCOCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006831	0	49	0.0	-32.95	418.40	8.19	-24.76
CSCC1=CN=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006832	0	38	0.0	-31.58	359.29	7.45	-24.13
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012006833	0	35	0.0	-27.56	326.86	8.23	-19.33
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012006834	0	41	0.0	-34.03	376.22	10.77	-23.26
CCN1N=C(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012006835	0	40	0.0	-28.33	345.75	5.77	-22.56
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012006836	0	42	0.0	-29.21	355.78	10.28	-18.93
CC1=NN(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006837	0	38	0.0	-32.46	330.43	6.38	-26.08
N#CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1F	REAL300012006838	0	36	0.0	-39.03	333.32	8.61	-30.42
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012006839	0	38	0.0	-33.91	347.51	7.32	-26.59
CC1=CC(F)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(F)=C1	REAL300012006840	0	38	0.0	-28.29	338.57	8.90	-19.39
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])O1	REAL300012006841	0	45	0.0	-32.74	385.59	9.01	-23.73
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006842	0	44	0.0	-30.34	365.51	8.38	-21.96
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CN1	REAL300012006843	0	42	0.0	-34.27	365.45	7.31	-26.96
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006844	0	45	0.0	-35.97	389.43	10.20	-25.77
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006845	0	48	0.0	-32.78	405.64	10.64	-22.14
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006846	0	45	0.0	-36.18	384.47	10.18	-26.00
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006847	0	44	0.0	-29.38	361.79	10.08	-19.30
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012006848	0	42	0.0	-28.75	352.49	7.55	-21.20
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012006849	0	41	0.0	-31.68	358.19	7.87	-23.81
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012006850	0	37	0.0	-31.03	329.18	6.98	-24.05
COC1=CC(OC)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1F	REAL300012006851	0	43	0.0	-33.76	371.69	7.03	-26.73
COC1=CC(F)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OC	REAL300012006852	0	43	0.0	-35.13	368.93	7.47	-27.66
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(Cl)=C1	REAL300012006853	0	38	0.0	-27.66	341.99	9.40	-18.26
CCC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006854	0	41	0.0	-29.42	350.78	9.65	-19.77
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006855	0	48	0.0	-33.10	405.67	10.68	-22.42
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(F)=C1	REAL300012006856	0	39	0.0	-30.24	342.93	7.61	-22.63
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012006857	0	42	0.0	-28.50	352.12	10.05	-18.45
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006858	0	39	0.0	-27.62	340.03	7.56	-20.06
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=C1	REAL300012006859	0	48	0.0	-29.17	392.13	9.78	-19.39
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012006860	0	37	0.0	-31.31	340.02	7.97	-23.34
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012006861	0	39	0.0	-31.37	333.05	6.79	-24.58
CCC1=C2OC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CC2=CC=C1	REAL300012006862	0	44	0.0	-29.61	378.68	10.18	-19.43
C=CCCN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N=N1	REAL300012006863	0	41	0.0	-40.98	360.40	6.95	-34.03
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012006864	0	42	0.0	-29.11	359.56	8.18	-20.93
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012006865	0	43	0.0	-30.92	373.80	9.29	-21.63
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=C1	REAL300012006866	0	45	0.0	-30.48	371.90	9.07	-21.41
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012006867	0	39	0.0	-30.69	349.91	7.93	-22.76
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012006868	0	39	0.0	-31.27	350.01	7.92	-23.35
COC1=NC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006869	0	38	0.0	-32.85	333.67	5.00	-27.85
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012006870	0	48	0.0	-31.41	392.10	11.50	-19.91
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=N1	REAL300012006871	0	45	0.0	-36.98	385.34	7.03	-29.95
COCC1=CSC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006872	0	39	0.0	-32.72	351.25	7.05	-25.67
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012006873	0	41	0.0	-30.08	350.09	6.68	-23.40
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012006874	0	35	0.0	-33.15	337.19	8.33	-24.82
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012006875	0	35	0.0	-30.21	329.82	7.58	-22.63
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012006876	0	35	0.0	-24.62	325.79	8.22	-16.40
CN(C)C1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=CC(F)=C1F	REAL300012006877	0	43	0.0	-29.85	364.86	8.23	-21.62
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012006878	0	35	0.0	-28.51	333.07	8.72	-19.79
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012006879	0	47	0.0	-32.29	391.88	7.83	-24.46
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1F	REAL300012006880	0	43	0.0	-28.46	371.96	7.77	-20.69
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006881	0	49	0.0	-34.20	409.63	10.03	-24.17
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012006882	0	35	0.0	-29.79	323.68	8.36	-21.43
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012006883	0	42	0.0	-34.30	376.10	8.59	-25.71
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OC1CC1	REAL300012006884	0	47	0.0	-34.10	397.65	9.10	-25.00
CCCN1N=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006885	0	41	0.0	-30.22	344.71	7.48	-22.74
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006886	0	38	0.0	-35.30	349.85	6.78	-28.52
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006887	0	49	0.0	-31.77	408.13	8.39	-23.38
CCCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006888	0	41	0.0	-27.62	362.99	9.68	-17.94
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012006889	0	42	0.0	-31.79	375.23	10.85	-20.94
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012006890	0	48	0.0	-29.80	393.84	9.82	-19.98
CC(C)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006891	0	44	0.0	-28.84	366.79	10.11	-18.73
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(Cl)=N1	REAL300012006892	0	35	0.0	-35.89	325.12	6.44	-29.45
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012006893	0	51	0.0	-30.43	408.54	10.21	-20.22
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012006894	0	48	0.0	-28.67	397.63	11.70	-16.97
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=NC=C1Br	REAL300012006895	0	37	0.0	-34.97	341.37	7.60	-27.37
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012006896	0	36	0.0	-29.47	334.11	5.90	-23.57
CN1C=C(C2=NC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CS2)C=N1	REAL300012006897	0	41	0.0	-30.86	376.09	6.76	-24.10
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1Cl	REAL300012006898	0	39	0.0	-32.23	352.10	8.03	-24.20
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012006899	0	45	0.0	-31.92	378.44	8.86	-23.06
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012006900	0	41	0.0	-41.66	365.87	8.15	-33.51
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012006901	0	41	0.0	-31.05	354.04	9.71	-21.34
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(Br)=N1	REAL300012006902	0	35	0.0	-34.86	329.18	6.50	-28.36
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(F)=C1	REAL300012006903	0	38	0.0	-28.51	333.53	8.96	-19.55
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006904	0	42	0.0	-36.03	364.00	7.13	-28.90
CN1N=CC2=CC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CN=C21	REAL300012006905	0	40	0.0	-37.15	350.03	7.35	-29.80
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012006906	0	34	0.0	-28.13	328.24	6.97	-21.16
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OC	REAL300012006907	0	43	0.0	-32.44	373.98	7.83	-24.61
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012006908	0	41	0.0	-31.75	367.52	9.97	-21.78
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006909	0	45	0.0	-32.73	372.07	8.28	-24.45
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C(C)N1	REAL300012006910	0	48	0.0	-35.00	408.20	8.62	-26.38
CC1=C(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CS1	REAL300012006911	0	38	0.0	-29.87	333.14	8.58	-21.29
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012006912	0	34	0.0	-36.53	323.31	6.91	-29.62
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(Br)SC=C1	REAL300012006913	0	32	0.0	-25.24	315.90	7.87	-17.37
CCOC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C(F)C=C1OC	REAL300012006914	0	46	0.0	-34.87	390.78	8.38	-26.49
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012006915	0	41	0.0	-30.12	348.99	10.24	-19.88
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CN=C1Br	REAL300012006916	0	34	0.0	-27.17	318.45	6.91	-20.26
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012006917	0	39	0.0	-29.75	356.79	8.14	-21.61
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006918	0	45	0.0	-29.76	379.91	9.19	-20.57
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006919	0	42	0.0	-31.02	364.31	8.48	-22.54
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012006920	0	49	0.0	-39.47	402.54	9.20	-30.27
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012006921	0	39	0.0	-31.33	351.36	7.84	-23.49
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006922	0	48	0.0	-31.97	388.30	9.37	-22.60
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006923	0	38	0.0	-30.29	336.73	9.35	-20.94
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C(F)C=C1C	REAL300012006924	0	42	0.0	-27.14	361.97	8.31	-18.83
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=C1Br	REAL300012006925	0	41	0.0	-29.61	355.64	9.84	-19.77
CC1=CC=NC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1Br	REAL300012006926	0	37	0.0	-25.84	335.00	7.33	-18.51
CC(C)(C)C1=CSC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012006927	1	43	0.0	-31.61	373.47	7.94	-23.67
COCCC1=NC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006928	0	41	0.0	-34.00	369.73	6.07	-27.93
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012006929	1	36	0.0	-31.75	330.07	5.59	-26.16
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006930	0	43	0.0	-30.01	370.15	7.82	-22.19
CCN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012006931	0	48	0.0	-33.26	407.64	10.28	-22.98
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012006932	0	43	0.0	-28.01	350.85	8.08	-19.93
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1C	REAL300012006933	0	51	0.0	-27.42	404.14	9.29	-18.13
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012006934	0	37	0.0	-39.83	334.35	8.72	-31.11
CC1=C(Br)C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006935	0	35	0.0	-29.29	340.48	8.73	-20.56
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012006936	0	40	0.0	-31.18	338.58	8.31	-22.87
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1C	REAL300012006937	0	48	0.0	-30.81	400.82	9.99	-20.82
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012006938	0	39	0.0	-34.30	343.93	6.64	-27.66
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006939	0	42	0.0	-29.21	363.20	8.54	-20.67
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012006940	0	40	0.0	-34.63	344.16	9.28	-25.35
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006941	0	43	0.0	-38.22	367.13	9.95	-28.27
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(F)=C1OC	REAL300012006942	0	43	0.0	-32.64	375.92	7.63	-25.01
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(F)=C1	REAL300012006943	0	41	0.0	-33.47	368.22	8.97	-24.50
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012006944	0	45	0.0	-33.65	394.52	8.67	-24.98
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012006945	0	49	0.0	-33.38	419.16	11.51	-21.87
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012006946	0	42	0.0	-31.47	368.73	8.83	-22.64
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012006947	0	34	0.0	-27.25	318.30	6.84	-20.41
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006948	0	51	0.0	-31.13	423.42	11.23	-19.90
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006949	0	42	0.0	-31.20	356.49	9.51	-21.69
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012006950	0	38	0.0	-34.07	336.65	7.02	-27.05
CCCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012006952	0	44	0.0	-28.73	370.92	10.41	-18.32
CC1=C2C=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])C=NC2=NN1	REAL300012006953	0	40	0.0	-38.32	349.60	6.71	-31.61
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012006954	0	43	0.0	-37.72	380.17	4.89	-32.83
CN1N=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012006955	0	41	0.0	-32.94	357.84	8.14	-24.80
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012006956	0	38	0.0	-34.28	332.61	6.83	-27.45
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012006956	1	38	0.0	-28.10	333.66	6.82	-21.28
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006957	0	35	0.0	-34.92	339.19	7.50	-27.42
CCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006958	0	38	0.0	-27.16	340.16	8.87	-18.29
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012006959	0	40	0.0	-28.22	340.99	8.45	-19.77
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012006960	0	41	0.0	-34.83	355.26	9.28	-25.55
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006961	0	55	0.0	-32.09	428.34	10.36	-21.73
CCC1=NC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006962	0	37	0.0	-29.76	334.73	6.89	-22.87
COC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])SC=C1	REAL300012006963	0	36	0.0	-29.19	325.84	6.63	-22.56
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012006964	0	41	0.0	-33.68	364.08	6.46	-27.22
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CSC=C1Cl	REAL300012006965	0	32	0.0	-27.51	311.19	7.65	-19.86
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006966	0	40	0.0	-31.76	363.12	7.49	-24.27
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006967	0	46	0.0	-30.93	404.16	8.77	-22.16
CCCC(C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012006968	0	47	0.0	-30.58	385.14	10.93	-19.65
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012006969	0	40	0.0	-26.59	358.40	9.05	-17.54
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1CC2CCC1C2	REAL300012006970	0	42	0.0	-33.44	331.00	8.85	-24.59
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)N=C1	REAL300012006971	0	34	0.0	-34.02	309.12	6.39	-27.63
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012006972	0	35	0.0	-30.35	338.77	8.54	-21.81
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1(C(F)F)CC1	REAL300012006973	0	35	0.0	-28.36	309.04	7.61	-20.75
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006974	0	45	0.0	-35.46	389.59	10.85	-24.61
CC1=CN=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N1C	REAL300012006975	0	38	0.0	-36.88	328.19	7.14	-29.74
CC(C)C1CCC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012006976	0	50	0.0	-29.17	377.75	10.02	-19.15
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012006977	0	38	0.0	-36.56	367.78	9.64	-26.92
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006978	0	46	0.0	-34.07	392.36	9.62	-24.45
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006979	0	49	0.0	-31.95	405.06	9.78	-22.17
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006980	0	45	0.0	-29.73	380.25	9.11	-20.62
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012006981	0	44	0.0	-34.95	378.78	9.83	-25.12
CCC1=NOC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006982	0	37	0.0	-32.85	323.90	6.96	-25.89
CN1N=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1Cl	REAL300012006983	0	35	0.0	-30.93	326.51	6.43	-24.50
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012006984	0	37	0.0	-32.32	329.23	5.65	-26.67
COC1=CC=C(N2C=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])C=N2)C=C1	REAL300012006985	0	46	0.0	-35.65	394.86	8.69	-26.96
CC1=CN=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006986	0	37	0.0	-32.37	316.62	6.98	-25.39
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012006987	0	37	0.0	-39.99	347.29	6.27	-33.72
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012006988	0	42	0.0	-31.54	357.04	10.35	-21.19
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NC=C1Br	REAL300012006989	0	34	0.0	-25.78	317.43	6.98	-18.80
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012006990	0	38	0.0	-41.62	360.96	4.98	-36.64
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012006991	0	41	0.0	-27.99	358.72	8.87	-19.12
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(F)=C1	REAL300012006992	0	40	0.0	-44.24	366.63	3.30	-40.94
CC(C)N1C=CN=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006994	0	41	0.0	-35.31	348.73	8.11	-27.20
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006995	0	37	0.0	-32.86	337.08	7.58	-25.28
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006996	0	38	0.0	-35.83	344.86	6.89	-28.94
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006997	0	42	0.0	-32.21	357.26	7.89	-24.32
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012006998	0	45	0.0	-31.59	371.49	8.33	-23.26
CC1=NC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N1C	REAL300012006999	0	38	0.0	-31.82	326.12	7.20	-24.62
CC1=C2C=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])NC2=CC=C1	REAL300012007000	0	42	0.0	-33.12	358.56	8.80	-24.32
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012007001	0	41	0.0	-34.27	357.98	7.39	-26.88
CC1=CC=C2C=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])NC2=C1	REAL300012007002	0	42	0.0	-33.06	358.98	8.82	-24.24
CC1=NC=CN=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007003	0	36	0.0	-29.56	311.72	4.99	-24.57
CCOC1=CN=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007004	0	41	0.0	-33.59	352.84	6.66	-26.93
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012007005	0	34	0.0	-26.42	313.82	6.89	-19.53
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012007006	0	46	0.0	-33.31	383.04	6.91	-26.40
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012007007	0	38	0.0	-31.89	331.91	6.86	-25.03
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007008	0	43	0.0	-32.81	346.04	8.57	-24.24
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NC(F)=C1	REAL300012007009	0	34	0.0	-33.33	307.88	6.36	-26.97
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012007010	0	39	0.0	-31.56	339.23	8.25	-23.31
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012007011	0	38	0.0	-40.09	340.51	5.70	-34.39
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012007012	0	37	0.0	-32.96	335.96	7.27	-25.69
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007013	0	44	0.0	-34.49	379.05	8.68	-25.81
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012007014	0	45	0.0	-33.61	382.36	5.67	-27.94
COC1=CN=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1C	REAL300012007015	0	41	0.0	-33.31	347.12	6.39	-26.92
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=C1	REAL300012007016	0	48	0.0	-31.88	397.88	11.35	-20.53
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012007017	0	45	0.0	-32.10	381.59	5.77	-26.33
CCCN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N=N1	REAL300012007018	0	40	0.0	-40.78	346.27	6.36	-34.42
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007019	0	43	0.0	-29.22	362.69	8.27	-20.95
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012007020	0	39	0.0	-36.66	339.25	8.94	-27.72
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012007021	0	40	0.0	-37.69	355.30	8.73	-28.96
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1C	REAL300012007022	0	48	0.0	-32.33	394.79	11.24	-21.09
CC1=NSC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007023	0	34	0.0	-35.11	312.27	6.64	-28.47
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012007024	0	40	0.0	-38.22	360.72	3.15	-35.07
CCN1N=CN=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007025	0	37	0.0	-27.28	319.96	7.36	-19.92
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012007026	0	38	0.0	-35.46	336.59	5.59	-29.87
CCC1=CNC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012007027	0	38	0.0	-37.64	330.65	6.36	-31.28
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012007028	0	44	0.0	-33.25	360.83	8.80	-24.45
CC1=NN(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1Cl	REAL300012007029	0	38	0.0	-26.83	344.70	6.80	-20.03
CN1C=CC(C2=NC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CS2)=N1	REAL300012007030	0	41	0.0	-42.44	376.17	6.72	-35.72
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012007031	0	48	0.0	-31.54	394.04	9.12	-22.42
CC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1Br	REAL300012007032	0	38	0.0	-26.35	340.21	9.33	-17.02
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012007033	0	43	0.0	-33.20	361.58	8.93	-24.27
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007034	0	45	0.0	-40.11	380.46	8.05	-32.06
CCC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(Cl)=NN1	REAL300012007035	0	38	0.0	-31.31	340.57	6.39	-24.92
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012007036	0	39	0.0	-31.36	354.22	7.18	-24.18
CCC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=NO1	REAL300012007037	0	40	0.0	-30.38	340.42	7.79	-22.59
CCN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N=N1	REAL300012007038	0	37	0.0	-41.18	324.77	5.60	-35.58
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012007039	0	47	0.0	-32.43	380.45	9.47	-22.96
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012007040	0	50	0.0	-27.41	395.96	10.04	-17.37
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])O1	REAL300012007041	0	39	0.0	-34.81	343.49	7.81	-27.00
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012007042	0	34	0.0	-38.93	332.20	6.37	-32.56
CCN1C=NC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007043	0	38	0.0	-28.17	330.45	8.34	-19.83
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CN=C1F	REAL300012007044	0	37	0.0	-35.60	329.54	7.00	-28.60
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007045	0	37	0.0	-34.96	322.27	7.00	-27.96
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012007046	0	38	0.0	-33.18	345.77	9.14	-24.04
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1C	REAL300012007047	0	44	0.0	-34.33	377.42	9.38	-24.95
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=C1	REAL300012007048	0	42	0.0	-29.60	348.78	8.06	-21.54
CC1=C(Cl)C=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1Cl	REAL300012007049	0	38	0.0	-27.24	351.17	9.68	-17.56
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007050	0	36	0.0	-34.37	341.06	9.18	-25.19
CC1CC2=CC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CC=C2O1	REAL300012007051	0	43	0.0	-31.67	364.78	8.81	-22.86
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012007052	0	38	0.0	-35.34	339.63	5.79	-29.55
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012007053	0	40	0.0	-31.49	342.29	8.02	-23.47
CSCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012007054	0	42	0.0	-30.72	372.66	10.08	-20.64
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012007055	0	45	0.0	-33.22	378.78	8.93	-24.29
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007056	0	43	0.0	-33.77	361.85	5.86	-27.91
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007057	0	42	0.0	-33.39	353.28	7.73	-25.66
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012007058	0	42	0.0	-31.62	356.65	8.09	-23.53
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012007059	0	42	0.0	-30.92	356.05	8.01	-22.91
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007060	0	48	0.0	-36.11	409.43	9.81	-26.30
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007061	0	45	0.0	-32.59	390.22	9.17	-23.42
COC1=CC=C(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007062	0	42	0.0	-28.13	348.84	8.05	-20.08
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=C21	REAL300012007063	0	41	0.0	-32.01	344.13	9.47	-22.54
CCC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007064	0	41	0.0	-27.48	338.32	9.42	-18.06
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012007065	0	45	0.0	-38.84	378.14	8.02	-30.82
CC1=CC(F)=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007066	0	38	0.0	-34.80	335.69	9.03	-25.77
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=C1C	REAL300012007067	0	44	0.0	-30.26	357.43	10.01	-20.25
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012007068	0	45	0.0	-38.16	384.50	7.31	-30.85
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007069	0	47	0.0	-27.52	351.20	10.11	-17.41
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012007070	0	45	0.0	-31.93	362.60	8.56	-23.37
COC1=CC=C2SC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CC2=C1	REAL300012007071	0	42	0.0	-30.59	374.83	9.05	-21.54
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012007072	0	38	0.0	-32.72	334.64	7.85	-24.87
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012007073	0	51	0.0	-38.10	417.56	9.92	-28.18
CCN1CCC2=CC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CC=C21	REAL300012007074	0	47	0.0	-32.46	387.17	8.92	-23.54
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012007075	0	48	0.0	-39.21	400.72	9.09	-30.12
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=NN1C(C)C	REAL300012007076	0	44	0.0	-35.38	370.82	8.07	-27.31
CSC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1Cl	REAL300012007077	0	39	0.0	-33.39	361.80	9.64	-23.75
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012007078	0	45	0.0	-28.80	373.58	10.80	-18.00
CCOC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=N1	REAL300012007079	0	41	0.0	-31.04	355.51	5.82	-25.22
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1C1CC1	REAL300012007080	0	45	0.0	-31.00	372.16	10.84	-20.16
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])C(C)=C2)C=C1	REAL300012007081	0	48	0.0	-34.46	401.39	10.54	-23.92
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])O2)N1	REAL300012007082	0	42	0.0	-32.86	375.16	6.97	-25.89
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])O1	REAL300012007083	0	36	0.0	-34.68	320.31	6.83	-27.85
COCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])O1	REAL300012007084	0	43	0.0	-36.27	375.79	7.00	-29.27
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007085	0	47	0.0	-30.86	389.17	8.47	-22.39
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012007086	0	38	0.0	-35.86	337.55	6.97	-28.89
CCN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=N1	REAL300012007087	0	41	0.0	-32.17	349.83	7.42	-24.75
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=C1	REAL300012007088	0	51	0.0	-26.37	416.88	12.66	-13.71
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012007089	0	42	0.0	-31.94	361.43	8.23	-23.71
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007090	0	47	0.0	-36.18	401.31	7.58	-28.60
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007091	0	42	0.0	-33.04	360.19	7.96	-25.08
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007092	0	45	0.0	-36.00	377.09	11.13	-24.87
CC(C)C1=NOC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007093	0	40	0.0	-32.39	343.95	7.51	-24.88
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012007094	0	39	0.0	-28.01	353.07	6.83	-21.18
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012007095	0	45	0.0	-35.99	378.83	4.70	-31.29
COC1=NC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1F	REAL300012007096	0	38	0.0	-30.79	338.40	4.97	-25.82
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012007097	0	35	0.0	-40.27	325.26	8.25	-32.02
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012007098	0	47	0.0	-31.71	389.29	9.80	-21.91
CC1=C(C)SC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012007099	0	37	0.0	-29.27	332.03	6.70	-22.57
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012007100	0	44	0.0	-42.71	384.71	8.60	-34.11
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012007101	0	55	0.0	-35.97	430.24	9.21	-26.76
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007102	0	37	0.0	-25.86	337.10	7.47	-18.39
CC1OC2=CC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])C=C2C1C	REAL300012007103	0	46	0.0	-34.12	381.29	9.40	-24.72
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OC(F)F	REAL300012007104	0	42	0.0	-29.44	365.90	8.50	-20.94
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007105	0	47	0.0	-25.76	371.14	10.47	-15.29
CN1N=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012007106	0	41	0.0	-39.54	353.53	3.37	-36.17
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012007107	0	38	0.0	-35.54	345.60	6.15	-29.39
CC(C)CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N=N1	REAL300012007108	0	43	0.0	-30.25	366.08	7.05	-23.20
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012007109	0	38	0.0	-29.17	342.39	7.48	-21.69
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012007110	0	35	0.0	-35.97	327.62	5.59	-30.38
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012007111	0	40	0.0	-32.80	342.39	8.04	-24.76
CN1C=C(Cl)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012007112	0	35	0.0	-28.94	326.01	6.39	-22.55
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=CS1	REAL300012007113	0	38	0.0	-43.86	351.64	5.05	-38.81
CSC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007114	0	39	0.0	-31.64	346.78	9.20	-22.44
CC(C)C1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])N(C)N=C1	REAL300012007115	0	44	0.0	-32.40	370.00	7.79	-24.61
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC(C)=N1	REAL300012007116	0	40	0.0	-32.10	346.01	7.67	-24.43
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012007117	0	45	0.0	-37.34	392.63	9.48	-27.86
CCCN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=N1	REAL300012007118	0	44	0.0	-32.45	373.30	8.24	-24.21
CCN1C=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012007119	0	38	0.0	-35.31	330.96	6.83	-28.48
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012007120	0	37	0.0	-33.49	330.52	6.95	-26.54
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012007122	0	42	0.0	-27.31	371.78	10.43	-16.88
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012007123	0	43	0.0	-30.74	367.08	9.16	-21.58
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012007124	0	39	0.0	-29.88	358.10	8.06	-21.82
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=C1	REAL300012007125	0	48	0.0	-36.30	400.91	11.23	-25.07
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])C=C2)C=N1	REAL300012007126	0	48	0.0	-35.95	407.38	11.92	-24.03
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007127	0	42	0.0	-40.03	363.04	6.46	-33.57
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012007128	0	49	0.0	-32.03	402.84	12.32	-19.71
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007130	0	45	0.0	-39.55	384.53	7.30	-32.25
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012007131	0	41	0.0	-35.05	362.57	9.51	-25.54
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012007132	0	42	0.0	-31.65	353.69	7.09	-24.56
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007133	0	45	0.0	-33.93	387.94	9.35	-24.58
CCCN1C=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012007134	0	41	0.0	-35.18	352.46	7.59	-27.59
CC(C)N1C=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012007135	0	41	0.0	-28.11	349.67	7.29	-20.82
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007136	0	46	0.0	-30.98	377.98	8.68	-22.30
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012007137	0	38	0.0	-40.47	348.84	7.33	-33.14
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012007138	0	45	0.0	-28.51	380.64	10.33	-18.18
CN1C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=NC2=C1CCCC2	REAL300012007139	0	45	0.0	-28.71	369.27	8.92	-19.79
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007140	0	38	0.0	-34.06	350.50	5.43	-28.63
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012007141	0	38	0.0	-37.33	339.97	6.89	-30.44
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012007142	0	38	0.0	-37.95	345.14	9.11	-28.84
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012007143	0	43	0.0	-31.46	353.27	8.25	-23.21
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007144	0	42	0.0	-29.14	372.45	9.01	-20.13
COC1=NN(C)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007145	0	39	0.0	-31.52	343.59	4.03	-27.49
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012007146	0	39	0.0	-30.49	347.29	5.62	-24.87
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012007147	0	42	0.0	-31.92	370.71	8.20	-23.72
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012007148	0	42	0.0	-28.52	352.18	9.04	-19.48
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012007149	0	37	0.0	-38.40	342.48	8.97	-29.43
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012007150	0	48	0.0	-34.18	390.37	9.27	-24.91
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012007151	0	42	0.0	-31.63	381.74	9.77	-21.86
CN(CCO)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=N1	REAL300012007152	0	46	0.0	-31.72	386.15	5.75	-25.97
COC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012007153	0	51	0.0	-26.88	399.08	9.94	-16.94
CN1C=C(Br)N=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007154	0	35	0.0	-37.08	329.26	7.07	-30.01
COC1=CC(C)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=N1	REAL300012007155	0	41	0.0	-32.84	348.04	5.53	-27.31
COC1=CC(C)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1O	REAL300012007156	0	43	0.0	-35.59	362.93	6.04	-29.55
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012007157	0	41	0.0	-45.55	364.64	7.41	-38.14
CN1C(=O)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012007158	0	44	0.0	-43.44	374.36	9.07	-34.37
COC1=NC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1C	REAL300012007159	0	41	0.0	-27.46	353.88	5.56	-21.90
CCCN1C=NC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007160	0	41	0.0	-30.04	343.99	9.10	-20.94
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CNC1=O	REAL300012007161	0	35	0.0	-32.03	311.48	5.14	-26.89
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012007162	0	42	0.0	-39.28	364.98	8.24	-31.04
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012007163	0	48	0.0	-29.25	398.98	11.75	-17.50
CCC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=NN1CC	REAL300012007164	0	44	0.0	-32.32	362.84	8.02	-24.30
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012007165	0	35	0.0	-29.28	334.66	8.78	-20.50
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012007166	0	39	0.0	-34.26	339.49	6.75	-27.51
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012007167	0	39	0.0	-35.65	348.95	7.75	-27.90
COC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=CS1	REAL300012007168	0	36	0.0	-29.40	328.12	6.61	-22.79
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012007169	0	38	0.0	-25.42	344.93	7.93	-17.49
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007170	0	41	0.0	-32.00	359.78	9.71	-22.29
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012007171	0	41	0.0	-33.85	369.47	8.96	-24.89
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=N1	REAL300012007172	0	42	0.0	-32.26	366.95	5.96	-26.30
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1Cl	REAL300012007173	0	44	0.0	-28.92	388.02	8.44	-20.48
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012007174	0	41	0.0	-36.66	372.40	7.54	-29.12
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012007175	0	35	0.0	-35.33	322.93	8.40	-26.93
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012007176	0	42	0.0	-31.13	373.43	10.65	-20.48
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007177	0	44	0.0	-33.79	369.84	7.12	-26.67
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012007178	0	41	0.0	-31.00	365.55	10.92	-20.08
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012007179	0	52	0.0	-28.27	417.33	11.12	-17.15
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007180	0	42	0.0	-30.15	355.01	10.15	-20.00
CCN1CCCC2=CC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=CC=C21	REAL300012007181	0	50	0.0	-31.99	397.10	9.44	-22.55
COCC1=CN=C(OC)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007182	0	45	0.0	-27.65	387.76	4.76	-22.89
CN1N=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1Br	REAL300012007183	0	35	0.0	-30.33	330.64	6.50	-23.83
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012007184	0	39	0.0	-31.97	337.58	9.49	-22.48
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012007185	0	38	0.0	-34.75	334.39	6.24	-28.51
COCC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007186	0	42	0.0	-28.34	351.49	8.00	-20.34
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012007187	0	39	0.0	-31.85	362.97	9.64	-22.21
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012007188	0	48	0.0	-32.56	399.74	8.86	-23.70
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012007189	0	43	0.0	-33.57	361.59	8.38	-25.19
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012007190	0	39	0.0	-34.56	341.48	3.52	-31.04
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012007191	0	41	0.0	-34.66	368.56	10.38	-24.28
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012007192	0	41	0.0	-38.18	362.49	6.46	-31.72
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1OC	REAL300012007193	0	43	0.0	-28.23	371.90	7.49	-20.74
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012007194	0	38	0.0	-35.55	333.92	7.75	-27.80
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012007195	0	42	0.0	-28.04	360.61	6.15	-21.89
C=CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012007196	0	39	0.0	-29.40	337.66	9.28	-20.12
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012007197	0	49	0.0	-31.32	406.18	10.53	-20.79
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007198	0	41	0.0	-33.17	348.42	9.74	-23.43
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=C1OCCO	REAL300012007199	0	47	0.0	-36.88	399.87	5.25	-31.63
CCN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012007200	0	45	0.0	-32.05	384.29	9.14	-22.91
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1OCCO	REAL300012007201	0	47	0.0	-36.34	399.87	5.25	-31.09
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012007202	0	45	0.0	-32.56	393.10	7.20	-25.36
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007203	0	43	0.0	-35.20	355.54	7.99	-27.21
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012007204	0	40	0.0	-33.82	348.89	8.70	-25.12
CC1=CC2=CC=CC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=C2O1	REAL300012007205	0	41	0.0	-33.31	357.09	9.38	-23.93
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012007206	0	38	0.0	-42.30	339.52	9.30	-33.00
COC1=CSC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1OC	REAL300012007207	0	40	0.0	-29.33	358.49	6.25	-23.08
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012007208	0	41	0.0	-32.32	350.42	8.30	-24.02
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])SC=C1	REAL300012007209	0	38	0.0	-33.82	344.12	5.28	-28.54
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007210	0	38	0.0	-44.98	351.70	3.88	-41.10
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012007211	0	38	0.0	-30.65	350.85	9.29	-21.36
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1F	REAL300012007212	0	45	0.0	-35.59	383.41	9.15	-26.44
CCN1C=C(Cl)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012007213	0	38	0.0	-28.67	347.56	7.24	-21.43
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012007214	0	35	0.0	-29.42	334.46	8.82	-20.60
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012007215	0	38	0.0	-32.97	342.04	9.23	-23.74
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012007216	0	41	0.0	-28.86	356.24	10.47	-18.39
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007217	0	38	0.0	-37.78	357.95	4.82	-32.96
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012007218	0	32	0.0	-31.18	313.57	7.75	-23.43
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012007219	0	45	0.0	-35.34	376.82	8.71	-26.63
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012007220	0	42	0.0	-32.35	382.13	9.92	-22.43
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007221	0	48	0.0	-31.44	395.53	9.37	-22.07
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012007222	0	38	0.0	-33.53	339.72	6.91	-26.62
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007223	0	45	0.0	-34.84	384.51	8.88	-25.96
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012007224	0	38	0.0	-41.31	347.22	9.66	-31.65
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012007225	0	34	0.0	-28.68	321.06	6.79	-21.89
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012007226	0	42	0.0	-32.91	371.81	9.47	-23.44
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007227	0	42	0.0	-26.37	360.39	6.28	-20.09
COC1=NC(C)=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=C1Cl	REAL300012007228	0	44	0.0	-31.74	382.15	6.50	-25.24
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007229	0	44	0.0	-30.61	381.47	8.58	-22.03
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012007230	0	42	0.0	-34.98	356.10	7.97	-27.01
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012007231	0	38	0.0	-31.25	345.29	7.09	-24.16
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012007232	0	39	0.0	-31.80	352.49	7.63	-24.17
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007233	0	51	0.0	-30.83	410.04	9.85	-20.98
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012007234	0	46	0.0	-34.77	381.14	6.86	-27.91
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007235	0	49	0.0	-32.33	400.74	7.44	-24.89
CC1=CN(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012007236	0	38	0.0	-27.40	328.16	7.13	-20.27
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012007237	0	45	0.0	-27.47	372.37	8.53	-18.94
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007238	0	37	0.0	-38.66	353.63	2.30	-36.36
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012007239	0	34	0.0	-25.82	330.71	7.20	-18.62
CC1=NSC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007240	0	34	0.0	-31.13	306.35	6.39	-24.74
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007241	0	48	0.0	-31.01	391.06	9.25	-21.76
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012007242	0	38	0.0	-34.22	330.89	9.18	-25.04
COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1Br	REAL300012007243	0	39	0.0	-28.44	352.77	8.18	-20.26
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012007244	0	38	0.0	-37.08	332.80	6.89	-30.19
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012007245	0	35	0.0	-28.94	333.57	8.79	-20.15
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007246	0	38	0.0	-30.27	326.67	8.91	-21.36
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])=C2)C=N1	REAL300012007247	0	45	0.0	-35.35	388.01	9.53	-25.82
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012007248	0	45	0.0	-40.33	393.11	10.59	-29.74
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007249	0	38	0.0	-27.73	340.66	9.37	-18.36
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007250	0	40	0.0	-33.49	357.65	8.10	-25.39
COC1=NC2=CC=C(C[NH2+]C(CC3=CC=C(Cl)N=C3)C(=O)[O-])C=C2S1	REAL300012007251	0	41	0.0	-36.03	370.13	6.04	-29.99
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012007252	0	34	0.0	-32.71	324.24	6.96	-25.75
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012007253	0	35	0.0	-32.34	340.09	9.28	-23.06
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007254	0	37	0.0	-32.91	334.68	7.51	-25.40
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007255	0	51	0.0	-30.86	418.36	10.52	-20.34
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007256	0	39	0.0	-33.52	354.11	8.11	-25.41
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC(F)=C1F	REAL300012007257	0	39	0.0	-37.35	349.89	7.72	-29.63
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007258	0	41	0.0	-30.36	350.97	6.41	-23.95
CC(C)N1C=NC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007259	0	41	0.0	-27.41	350.07	8.73	-18.68
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007260	0	42	0.0	-36.50	368.20	5.85	-30.65
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012007261	0	41	0.0	-33.33	354.98	8.62	-24.71
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1C	REAL300012007262	0	45	0.0	-35.13	391.56	7.97	-27.16
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])O1	REAL300012007263	0	42	0.0	-29.01	363.82	8.44	-20.57
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007264	0	41	0.0	-27.32	357.07	9.74	-17.58
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012007265	0	38	0.0	-29.93	344.96	7.25	-22.68
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007266	0	36	0.0	-36.52	335.13	8.68	-27.84
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012007267	0	51	0.0	-29.13	409.71	12.04	-17.09
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007268	0	43	0.0	-34.21	365.98	8.84	-25.37
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])SC(Br)=C1	REAL300012007269	0	35	0.0	-32.28	338.30	8.69	-23.59
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007270	0	45	0.0	-31.30	373.54	8.58	-22.72
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012007271	0	41	0.0	-32.42	360.16	7.57	-24.85
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012007272	0	43	0.0	-34.60	377.09	8.56	-26.04
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007273	0	44	0.0	-32.10	388.94	8.52	-23.58
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007274	0	42	0.0	-36.04	371.17	7.48	-28.56
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012007275	0	48	0.0	-30.49	409.33	12.65	-17.84
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012007276	0	51	0.0	-37.21	426.20	9.44	-27.77
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=N1	REAL300012007277	0	41	0.0	-32.05	348.66	5.54	-26.51
CCN(C)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C)=C1	REAL300012007278	0	49	0.0	-27.23	390.92	10.05	-17.18
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012007279	0	32	0.0	-29.50	329.33	8.32	-21.18
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007280	0	56	0.0	-27.40	431.93	10.22	-17.18
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=NS1	REAL300012007281	0	34	0.0	-30.28	309.28	6.61	-23.67
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007282	0	46	0.0	-27.29	384.25	7.56	-19.73
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012007283	0	38	0.0	-31.12	334.52	9.01	-22.11
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012007284	0	38	0.0	-31.62	344.78	9.59	-22.03
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012007285	0	44	0.0	-33.77	377.28	9.89	-23.88
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC=C1CO	REAL300012007286	0	39	0.0	-30.99	329.91	5.65	-25.34
CC1=NSC(C)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007287	0	37	0.0	-29.05	327.05	6.95	-22.10
CC(C)(C)C1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=NO1	REAL300012007288	0	43	0.0	-27.70	350.17	8.16	-19.54
CC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1C(F)(F)F	REAL300012007289	0	41	0.0	-38.17	350.63	9.82	-28.35
C=CCN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=N1	REAL300012007290	0	39	0.0	-35.92	342.87	7.43	-28.49
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012007291	0	38	0.0	-36.49	332.83	6.88	-29.61
CCC(C)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012007292	0	47	0.0	-28.66	385.21	10.78	-17.88
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012007293	0	40	0.0	-30.28	371.48	8.56	-21.72
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012007294	0	42	0.0	-35.82	367.75	6.92	-28.90
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007295	0	48	0.0	-35.77	408.14	10.78	-24.99
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=N1	REAL300012007296	0	40	0.0	-37.17	356.98	8.24	-28.93
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012007297	0	45	0.0	-30.20	363.22	10.65	-19.55
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007298	0	42	0.0	-35.31	366.21	10.12	-25.19
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012007299	0	38	0.0	-31.62	351.36	9.31	-22.31
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012007300	0	41	0.0	-40.96	360.23	8.14	-32.82
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012007301	0	44	0.0	-31.60	364.85	11.03	-20.57
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007302	0	53	0.0	-30.66	431.75	9.89	-20.77
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007303	0	43	0.0	-30.34	367.46	7.60	-22.74
CC1=NC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C(C)S1	REAL300012007304	0	37	0.0	-31.55	332.05	6.58	-24.97
O=C([O-])C(CC1=CC=C(Cl)N=C1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012007305	0	48	0.0	-33.75	393.32	5.22	-28.53
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007306	0	47	0.0	-28.58	394.73	6.81	-21.77
CCCN1N=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1C	REAL300012007307	0	44	0.0	-34.60	370.40	8.07	-26.53
CC1=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012007308	0	43	0.0	-31.88	363.77	9.33	-22.55
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012007309	0	44	0.0	-35.48	379.47	9.54	-25.94
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012007310	0	42	0.0	-34.56	366.97	8.32	-26.24
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012007311	0	44	0.0	-30.12	366.64	8.07	-22.05
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012007312	0	45	0.0	-31.81	377.75	8.68	-23.13
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=C(Cl)N=C2)C(=O)[O-])O1	REAL300012007313	1	43	0.0	-34.46	365.75	5.74	-28.72
CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C)=C1	REAL300012007314	0	41	0.0	-24.30	351.33	10.29	-14.01
CC1=CC=C(C)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007315	0	41	0.0	-24.31	351.37	10.28	-14.03
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012007316	0	40	0.0	-27.85	355.03	9.33	-18.52
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1CC2C=CC1C2	REAL300012007317	0	40	0.0	-26.16	332.45	9.55	-16.61
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1CCCCC1	REAL300012007318	0	41	0.0	-24.22	333.97	9.26	-14.96
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007319	0	47	0.0	-25.07	391.42	11.33	-13.74
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012007320	0	42	0.0	-24.20	370.37	8.82	-15.38
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(Br)O1	REAL300012007321	0	32	0.0	-28.78	317.62	7.86	-20.92
CCOC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC=C1OC	REAL300012007322	0	46	0.0	-28.21	395.73	9.12	-19.09
CC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1C	REAL300012007323	0	41	0.0	-23.12	342.73	10.01	-13.11
CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1C	REAL300012007324	0	41	0.0	-25.39	353.54	10.20	-15.19
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007325	0	45	0.0	-25.75	381.76	9.88	-15.87
CCC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C2=CC=CC=C2O1	REAL300012007326	0	44	0.0	-26.24	380.06	10.94	-15.30
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(Cl)=C1	REAL300012007327	0	39	0.0	-22.49	357.31	8.73	-13.76
N#CC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007328	0	36	0.0	-27.90	333.83	9.31	-18.59
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012007329	0	39	0.0	-23.71	355.26	7.98	-15.73
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012007330	0	38	0.0	-25.21	349.27	10.29	-14.92
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012007331	0	41	0.0	-26.11	359.95	9.46	-16.65
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])O1	REAL300012007332	0	42	0.0	-24.50	367.79	8.16	-16.34
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012007333	0	41	0.0	-25.56	365.24	7.02	-18.54
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(Cl)S1	REAL300012007334	0	32	0.0	-26.61	321.12	8.68	-17.93
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012007335	0	40	0.0	-29.80	354.93	9.54	-20.26
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012007336	0	42	0.0	-29.28	373.48	10.21	-19.07
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012007337	0	41	0.0	-29.98	366.26	11.45	-18.53
CCC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])O1	REAL300012007338	0	38	0.0	-23.92	339.27	8.73	-15.19
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(F)=CC=C1F	REAL300012007339	0	35	0.0	-26.83	325.87	9.05	-17.78
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012007340	0	35	0.0	-26.61	330.76	9.40	-17.21
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012007341	0	35	0.0	-29.12	336.40	9.52	-19.60
CCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007342	0	42	0.0	-27.54	365.25	9.19	-18.35
CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1F	REAL300012007343	0	38	0.0	-27.71	339.70	9.63	-18.08
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012007344	0	35	0.0	-24.05	341.08	9.85	-14.20
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012007345	0	35	0.0	-29.03	331.98	9.11	-19.92
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012007346	0	38	0.0	-26.82	350.36	10.46	-16.36
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012007347	0	35	0.0	-29.22	336.40	9.53	-19.69
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CN=C1Cl	REAL300012007348	0	34	0.0	-29.96	320.97	7.60	-22.36
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007349	0	44	0.0	-28.63	379.63	8.62	-20.01
COCCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007350	0	46	0.0	-25.88	397.95	8.42	-17.46
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1Cl	REAL300012007351	0	39	0.0	-25.54	358.50	8.77	-16.77
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012007352	0	41	0.0	-23.54	355.89	8.13	-15.41
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012007353	0	44	0.0	-28.50	376.82	8.98	-19.52
CCCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007354	0	45	0.0	-23.80	385.83	9.95	-13.85
CC(C)OC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007355	0	45	0.0	-24.88	384.41	9.85	-15.03
CC(C)C1=NC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CS1	REAL300012007356	0	40	0.0	-28.02	361.62	8.00	-20.02
CC(C)(C)C1=NC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CS1	REAL300012007357	0	43	0.0	-27.77	380.56	8.51	-19.26
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])OC=C1	REAL300012007358	0	35	0.0	-26.74	316.47	7.76	-18.98
CC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CN=C1Cl	REAL300012007359	0	37	0.0	-26.66	344.30	8.19	-18.47
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012007360	0	40	0.0	-28.51	359.28	9.54	-18.97
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012007361	0	40	0.0	-24.85	361.33	9.61	-15.24
COC1=CC=C2OC(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])=CC2=C1	REAL300012007362	0	42	0.0	-25.86	371.26	8.77	-17.09
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012007363	0	39	0.0	-28.11	361.57	10.78	-17.33
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C2=CC=CC=C2O1	REAL300012007364	0	41	0.0	-24.16	364.16	10.17	-13.99
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=COC2=CC=CC=C12	REAL300012007365	0	38	0.0	-25.61	343.09	9.37	-16.24
CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])N=C1	REAL300012007366	0	37	0.0	-28.50	330.26	7.78	-20.72
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012007367	0	39	0.0	-31.74	356.86	10.36	-21.38
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012007368	0	42	0.0	-30.82	372.74	10.08	-20.74
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(Cl)SC=C1	REAL300012007369	0	32	0.0	-25.62	319.33	8.55	-17.07
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012007370	0	39	0.0	-29.30	351.36	8.94	-20.36
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012007371	0	39	0.0	-27.19	351.27	8.93	-18.26
CCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007372	0	41	0.0	-23.50	364.24	6.59	-16.91
CC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC2=CC=CN=C12	REAL300012007373	0	43	0.0	-29.09	374.21	10.12	-18.97
CC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC=C1Cl	REAL300012007374	0	38	0.0	-26.29	350.59	10.10	-16.19
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012007375	0	37	0.0	-28.03	345.77	8.44	-19.59
CCCC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007376	0	44	0.0	-25.47	379.60	11.21	-14.26
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1C#N	REAL300012007377	0	40	0.0	-29.88	362.68	8.64	-21.24
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007378	0	41	0.0	-23.53	364.86	10.57	-12.96
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])N=C1	REAL300012007379	0	41	0.0	-23.22	360.31	7.32	-15.90
C=CCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007380	0	43	0.0	-27.73	378.16	9.77	-17.96
CC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1C	REAL300012007381	0	44	0.0	-23.62	365.14	10.71	-12.91
CC(C)(C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-])C1=CC=CC=C1	REAL300012007382	0	44	0.0	-25.50	361.87	10.66	-14.84
CC1CCC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])CC1	REAL300012007383	0	44	0.0	-25.22	350.03	9.71	-15.51
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007384	0	47	0.0	-27.90	392.82	11.85	-16.05
CCC1CCCC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C1	REAL300012007385	0	47	0.0	-25.27	375.20	10.58	-14.69
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007386	0	41	0.0	-21.46	363.32	10.61	-10.85
CC1=C(C)C=C2OC(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])=CC2=C1	REAL300012007387	0	44	0.0	-24.11	380.07	10.69	-13.42
CCCC1CCC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])CC1	REAL300012007388	0	50	0.0	-25.67	395.43	11.30	-14.37
CC1CCCCC1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007389	0	44	0.0	-26.20	346.65	9.57	-16.63
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012007390	0	42	0.0	-30.92	369.86	11.34	-19.58
COC1=CC=C(C)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007391	0	42	0.0	-25.58	363.45	8.98	-16.60
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1F	REAL300012007392	0	39	0.0	-26.55	348.70	8.30	-18.25
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012007393	0	44	0.0	-27.69	365.26	9.96	-17.73
CC(C)C1CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])CCO1	REAL300012007394	0	48	0.0	-26.48	386.33	9.04	-17.44
CC1(C)CCC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])CC1	REAL300012007395	0	47	0.0	-24.73	368.88	10.17	-14.56
CCSC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007396	0	42	0.0	-27.59	375.57	10.82	-16.77
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012007397	1	36	0.0	-23.92	346.30	6.73	-17.19
COC1(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])CCCCC1	REAL300012007398	0	45	0.0	-21.67	356.01	8.27	-13.40
CCN1N=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C2=CC=CC=C21	REAL300012007399	0	44	0.0	-28.37	386.93	9.79	-18.58
COCCC1(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])CCCCC1	REAL300012007400	0	51	0.0	-22.69	391.62	9.15	-13.54
CCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007401	0	45	0.0	-25.57	386.71	9.99	-15.58
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012007402	0	38	0.0	-29.62	343.05	9.53	-20.09
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012007403	0	42	0.0	-29.51	375.42	10.90	-18.61
CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012007404	0	40	0.0	-27.48	357.18	10.12	-17.36
CC(C)OC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007405	0	45	0.0	-25.48	383.13	9.81	-15.67
CC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC=C1F	REAL300012007406	0	38	0.0	-25.85	339.70	9.62	-16.23
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012007407	0	39	0.0	-24.86	344.32	8.93	-15.93
CC(C)CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007408	0	47	0.0	-24.51	395.04	11.65	-12.86
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012007409	0	35	0.0	-25.50	347.32	9.97	-15.53
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012007410	0	35	0.0	-26.11	337.04	9.54	-16.57
CC1=CC=CC(C)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007411	0	41	0.0	-23.30	344.95	9.98	-13.32
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(Br)=CO1	REAL300012007412	0	32	0.0	-25.44	317.67	7.77	-17.67
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012007413	0	39	0.0	-27.56	354.38	8.58	-18.98
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012007414	0	35	0.0	-22.87	337.43	9.54	-13.33
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012007415	0	35	0.0	-26.44	336.20	9.50	-16.94
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012007416	0	35	0.0	-27.11	328.00	9.14	-17.97
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012007417	0	35	0.0	-31.71	336.97	9.52	-22.19
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012007418	0	42	0.0	-25.89	372.55	8.93	-16.96
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012007418	1	42	0.0	-23.50	372.29	8.87	-14.63
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC(F)=C1F	REAL300012007419	0	35	0.0	-33.10	327.09	9.09	-24.01
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007420	0	41	0.0	-22.94	360.27	9.30	-13.64
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=N1	REAL300012007421	0	38	0.0	-27.41	342.26	5.69	-21.72
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012007422	0	40	0.0	-27.02	349.79	8.79	-18.23
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012007423	0	46	0.0	-26.29	389.14	8.91	-17.38
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012007424	0	39	0.0	-24.50	344.14	8.94	-15.56
CC1=CC(F)=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007425	0	38	0.0	-25.37	336.31	9.69	-15.68
CC1=NC(C)=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007426	0	37	0.0	-24.72	338.83	7.39	-17.33
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007427	0	50	0.0	-27.19	407.84	9.51	-17.68
CNC(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007428	0	42	0.0	-31.22	371.64	7.28	-23.94
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012007429	0	41	0.0	-26.81	361.33	11.25	-15.56
COC1=C2OC(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])=CC2=CC=C1	REAL300012007430	0	42	0.0	-26.23	372.59	8.82	-17.41
COC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC(OC)=C1	REAL300012007431	0	43	0.0	-27.29	374.17	7.61	-19.68
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012007433	0	41	0.0	-37.20	364.20	8.01	-29.19
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012007434	0	42	0.0	-28.43	373.25	8.88	-19.55
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012007435	0	41	0.0	-35.24	368.08	8.82	-26.42
CN1C=NC2=CC(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])=CC=C21	REAL300012007436	0	41	0.0	-28.61	363.52	10.34	-18.27
CCN1N=C(C)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1C	REAL300012007437	0	44	0.0	-27.72	376.79	8.58	-19.14
CC1(C)CC2=CC(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])=CC=C2O1	REAL300012007438	0	46	0.0	-27.19	391.32	10.21	-16.98
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012007439	0	41	0.0	-31.48	370.51	7.39	-24.09
CC1=CC=C(F)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007440	0	38	0.0	-21.88	339.83	9.67	-12.21
CC1=CC=C(F)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007441	0	38	0.0	-23.07	331.43	9.52	-13.55
CC1=NC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007442	0	37	0.0	-24.35	323.75	7.76	-16.59
CC(C)COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007443	0	48	0.0	-26.02	408.13	10.73	-15.29
COCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007444	0	46	0.0	-27.64	398.83	8.46	-19.18
CC1(C)CCCC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C1	REAL300012007445	0	47	0.0	-24.38	367.95	10.14	-14.24
CC1=CCCC(C)C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007446	0	45	0.0	-21.64	356.73	10.20	-11.44
COC1=CC2=C(C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-])OCO2	REAL300012007447	0	42	0.0	-26.62	369.33	7.02	-19.60
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012007448	0	40	0.0	-25.71	349.39	9.28	-16.43
CC(C)COC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007449	0	48	0.0	-24.65	408.09	10.72	-13.93
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007450	0	38	0.0	-23.89	344.49	10.05	-13.84
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012007451	0	39	0.0	-29.42	352.58	10.36	-19.06
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012007452	0	34	0.0	-26.93	325.61	7.60	-19.33
CN1N=NC2=CC(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])=CC=C21	REAL300012007453	0	40	0.0	-30.13	359.11	7.44	-22.69
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1CCCCCC1	REAL300012007454	0	44	0.0	-26.02	348.05	9.71	-16.31
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])=C2O1	REAL300012007455	0	46	0.0	-23.29	392.36	10.20	-13.09
COC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007456	0	38	0.0	-30.27	342.34	5.66	-24.61
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012007457	0	42	0.0	-26.10	371.32	10.12	-15.98
CC(C)N1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=N1	REAL300012007458	0	41	0.0	-25.36	356.00	8.12	-17.24
CC1=NC2=CC=C(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])C=C2C=C1	REAL300012007459	0	43	0.0	-30.23	376.61	9.94	-20.29
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012007460	0	37	0.0	-25.77	331.93	7.86	-17.91
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012007461	0	38	0.0	-25.02	348.20	9.55	-15.47
COCC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007462	0	42	0.0	-27.69	370.28	8.72	-18.97
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007463	0	48	0.0	-22.86	408.13	10.88	-11.98
COC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1OC	REAL300012007464	0	46	0.0	-26.68	385.36	8.71	-17.97
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012007465	0	39	0.0	-28.23	361.48	7.85	-20.38
CC(C)(C)C1CCC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])CC1	REAL300012007466	0	53	0.0	-24.91	398.01	11.07	-13.84
CC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C(C)O1	REAL300012007467	0	38	0.0	-26.35	336.96	8.61	-17.74
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012007468	0	46	0.0	-27.19	398.25	10.81	-16.38
CC(C)CC1=NC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007469	0	43	0.0	-24.99	381.75	9.13	-15.86
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012007470	0	38	0.0	-23.31	359.35	9.95	-13.36
COCCOC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007471	0	46	0.0	-23.95	396.60	8.48	-15.47
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012007472	0	38	0.0	-22.82	344.48	8.13	-14.69
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007473	0	39	0.0	-26.59	344.67	8.30	-18.29
CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])O1	REAL300012007474	0	35	0.0	-27.47	317.84	7.95	-19.52
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC=C1	REAL300012007475	0	35	0.0	-24.87	313.84	8.96	-15.91
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007476	0	43	0.0	-24.96	380.74	8.74	-16.22
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012007477	0	41	0.0	-29.53	359.63	8.16	-21.37
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012007478	0	35	0.0	-27.84	331.95	9.51	-18.33
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012007479	0	42	0.0	-29.53	371.79	10.13	-19.40
CC(C)(C)N1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=N1	REAL300012007480	0	44	0.0	-29.24	377.89	8.82	-20.42
CC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC(C)=C1	REAL300012007481	0	41	0.0	-24.51	356.72	10.28	-14.23
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(CO)O1	REAL300012007482	0	36	0.0	-26.28	327.88	4.57	-21.71
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CS1	REAL300012007483	0	32	0.0	-23.23	304.12	8.07	-15.16
CC(=O)NC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007484	0	42	0.0	-30.42	371.55	7.88	-22.54
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC=C1Cl	REAL300012007485	0	35	0.0	-21.93	327.10	9.47	-12.46
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012007486	0	37	0.0	-36.42	343.43	9.67	-26.75
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012007487	0	37	0.0	-32.23	343.43	9.67	-22.56
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012007488	0	41	0.0	-23.04	353.96	11.06	-11.98
CN(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007489	0	43	0.0	-25.84	366.33	9.40	-16.44
CCN(CC)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007490	0	49	0.0	-24.77	408.98	11.27	-13.50
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012007491	0	35	0.0	-25.83	330.58	9.48	-16.35
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012007492	0	35	0.0	-23.08	331.61	9.34	-13.74
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(F)C=C1	REAL300012007493	0	35	0.0	-26.40	320.26	9.03	-17.37
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012007494	0	39	0.0	-24.89	353.02	8.64	-16.25
COC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1OC	REAL300012007495	0	43	0.0	-28.29	374.01	8.28	-20.01
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012007496	0	35	0.0	-20.85	342.39	9.88	-10.97
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1OC	REAL300012007497	0	43	0.0	-28.45	373.87	8.20	-20.25
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(OC)=C1	REAL300012007498	0	43	0.0	-23.05	370.58	7.59	-15.46
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012007499	0	38	0.0	-27.77	353.95	10.01	-17.76
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(F)C=C1F	REAL300012007500	0	35	0.0	-23.34	327.11	9.09	-14.25
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012007501	0	35	0.0	-28.87	342.20	9.88	-18.99
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012007502	0	35	0.0	-28.30	345.72	9.93	-18.37
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1CC=CCC1	REAL300012007503	0	39	0.0	-25.64	328.71	9.23	-16.41
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012007504	0	39	0.0	-27.57	354.48	8.58	-18.99
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012007505	0	38	0.0	-27.69	340.62	9.98	-17.71
CCCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007506	0	48	0.0	-25.53	408.21	10.77	-14.76
COC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007507	0	39	0.0	-25.23	344.63	8.30	-16.93
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007508	0	42	0.0	-25.30	360.63	10.70	-14.60
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1OC	REAL300012007509	0	46	0.0	-28.39	393.57	9.04	-19.35
CC(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007510	0	44	0.0	-25.20	375.44	10.93	-14.27
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012007511	0	38	0.0	-29.87	353.95	10.00	-19.87
CCOC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007512	0	42	0.0	-23.16	365.13	9.30	-13.86
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007513	0	42	0.0	-26.51	365.26	9.19	-17.32
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC=C1F	REAL300012007514	0	35	0.0	-22.85	319.79	9.05	-13.80
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC(F)=C1	REAL300012007515	0	35	0.0	-28.75	321.63	9.07	-19.68
COC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007516	0	39	0.0	-26.07	341.98	8.33	-17.74
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])SC=C1	REAL300012007517	0	35	0.0	-22.75	322.74	8.65	-14.10
CC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007518	0	38	0.0	-23.91	326.69	9.52	-14.39
CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007519	0	38	0.0	-24.77	335.30	9.64	-15.13
N#CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007520	0	36	0.0	-30.84	336.02	9.40	-21.44
CSC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007521	0	39	0.0	-25.54	354.07	9.98	-15.56
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012007522	0	35	0.0	-21.92	339.20	9.68	-12.24
CC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007523	0	38	0.0	-24.85	335.30	9.63	-15.22
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CSC=C1	REAL300012007524	0	32	0.0	-24.51	302.94	7.87	-16.64
CCC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007525	0	41	0.0	-25.24	358.06	10.44	-14.80
CC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C)=C1	REAL300012007526	0	44	0.0	-23.25	366.50	10.65	-12.60
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(F)C=CC=C1F	REAL300012007527	0	35	0.0	-25.01	323.61	8.96	-16.05
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012007528	0	35	0.0	-31.00	327.83	9.12	-21.88
CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007529	0	35	0.0	-26.12	327.28	8.91	-17.21
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1O	REAL300012007530	0	40	0.0	-27.41	353.23	6.06	-21.35
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007531	0	41	0.0	-25.51	356.08	7.74	-17.77
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007532	0	38	0.0	-25.21	352.06	7.60	-17.61
CCC1=NN(C)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007533	0	41	0.0	-28.85	359.03	8.12	-20.73
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012007534	0	38	0.0	-28.50	355.20	8.09	-20.41
CN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012007535	0	47	0.0	-24.22	380.20	8.93	-15.29
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CN=C1	REAL300012007536	0	34	0.0	-25.68	308.73	7.18	-18.50
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CO1	REAL300012007537	0	32	0.0	-27.43	295.92	7.13	-20.30
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=NC=C1	REAL300012007538	0	34	0.0	-26.61	307.84	7.15	-19.46
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(Cl)O1	REAL300012007539	0	32	0.0	-28.86	312.99	7.75	-21.11
CCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1OC	REAL300012007540	0	46	0.0	-27.10	394.48	9.15	-17.95
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007541	0	41	0.0	-28.36	369.62	9.80	-18.56
CC1=NOC(C)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007542	0	37	0.0	-28.12	332.35	7.78	-20.34
CC1=NC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CS1	REAL300012007543	0	34	0.0	-28.22	320.42	6.68	-21.54
COC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC2=C1OCO2	REAL300012007544	0	42	0.0	-31.66	370.71	6.94	-24.72
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012007545	0	41	0.0	-31.06	369.60	8.79	-22.27
CN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=N1	REAL300012007546	0	35	0.0	-30.52	317.94	6.80	-23.72
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1C	REAL300012007547	0	42	0.0	-26.04	362.54	8.97	-17.07
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007548	0	44	0.0	-23.24	357.97	7.75	-15.49
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NC=CN1	REAL300012007549	0	32	0.0	-31.45	294.59	5.73	-25.72
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007550	0	43	0.0	-24.42	369.29	7.64	-16.78
CN1C=CN=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007551	0	35	0.0	-22.40	313.51	7.31	-15.09
CC(C)(C)C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007552	0	37	0.0	-24.68	310.98	8.09	-16.59
COC1=CC=C(F)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007553	0	39	0.0	-23.87	347.90	8.30	-15.57
CSC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007554	0	36	0.0	-25.85	347.37	9.28	-16.57
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012007555	0	38	0.0	-23.40	339.86	7.61	-15.79
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN=CN=C1	REAL300012007556	0	33	0.0	-27.68	303.53	6.97	-20.71
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(Cl)C=CS1	REAL300012007557	0	32	0.0	-21.68	318.48	8.46	-13.22
COC1=CC=C(F)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007558	0	39	0.0	-25.55	348.44	8.38	-17.17
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NNC=C1	REAL300012007559	0	32	0.0	-24.53	293.81	5.36	-19.17
NC(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007560	0	39	0.0	-34.30	348.44	5.74	-28.56
COC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC=C1F	REAL300012007561	0	39	0.0	-29.46	350.86	8.37	-21.09
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007562	0	39	0.0	-25.10	358.77	8.82	-16.28
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN=CS1	REAL300012007563	0	31	0.0	-25.53	297.71	6.17	-19.36
CN1C=NC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007564	0	35	0.0	-24.87	313.11	8.06	-16.81
COC(=O)C1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CN1C	REAL300012007565	0	42	0.0	-28.05	374.63	9.19	-18.86
CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1Cl	REAL300012007566	0	38	0.0	-27.71	350.59	10.10	-17.61
COC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC=C1C	REAL300012007567	0	42	0.0	-25.71	362.55	8.97	-16.74
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CSC=N1	REAL300012007568	0	31	0.0	-29.10	299.79	6.00	-23.10
CC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1F	REAL300012007569	0	38	0.0	-28.36	339.78	9.63	-18.73
N#CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(F)=C1	REAL300012007570	0	36	0.0	-26.92	341.52	9.40	-17.52
CC1=NNC(C)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007571	0	38	0.0	-25.01	335.61	6.54	-18.47
CC1=NNC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007572	0	35	0.0	-25.38	312.48	6.01	-19.37
CN1N=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007573	0	35	0.0	-25.14	313.38	6.49	-18.65
C#CCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007574	0	44	0.0	-26.85	392.49	10.51	-16.34
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012007575	0	38	0.0	-24.96	340.88	9.46	-15.50
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])C=C12	REAL300012007576	0	43	0.0	-32.55	381.40	8.73	-23.82
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012007577	0	38	0.0	-29.21	351.63	8.22	-20.99
CCC1=NC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CS1	REAL300012007578	0	37	0.0	-28.72	343.22	7.47	-21.25
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012007579	0	38	0.0	-23.67	357.59	9.97	-13.70
CC1=NN(C)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007580	0	38	0.0	-26.81	338.34	7.33	-19.48
CCN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=N1	REAL300012007581	0	38	0.0	-25.84	337.32	7.59	-18.25
CN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])N=N1	REAL300012007582	0	34	0.0	-35.28	310.66	5.47	-29.81
NC(=O)C1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007583	0	39	0.0	-37.05	349.76	5.77	-31.28
CN1C=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007584	0	35	0.0	-29.84	318.04	6.71	-23.13
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012007585	0	38	0.0	-32.76	351.06	8.45	-24.31
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1CCCCCCC1	REAL300012007586	0	47	0.0	-24.98	357.80	10.17	-14.81
CC1=CSC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007587	0	34	0.0	-23.09	321.76	6.73	-16.36
COC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1F	REAL300012007588	0	39	0.0	-32.75	350.10	8.33	-24.42
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012007589	0	42	0.0	-25.11	360.76	10.91	-14.20
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=COC=N1	REAL300012007590	0	31	0.0	-24.94	290.63	3.60	-21.34
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007591	0	48	0.0	-21.83	404.57	10.71	-11.12
CCN1N=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007592	0	38	0.0	-25.57	331.09	7.45	-18.12
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012007593	0	41	0.0	-22.79	363.70	8.74	-14.05
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012007594	0	40	0.0	-28.97	354.90	9.44	-19.53
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])SC=N1	REAL300012007595	0	34	0.0	-25.22	317.77	6.72	-18.50
COC1=CC(F)=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007596	0	39	0.0	-27.10	351.14	8.37	-18.73
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=N1	REAL300012007597	0	45	0.0	-27.92	386.75	8.95	-18.97
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=CS1	REAL300012007598	0	35	0.0	-24.65	322.36	8.71	-15.94
CS(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007599	0	40	0.0	-33.29	367.38	7.60	-25.69
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012007600	0	45	0.0	-24.71	376.60	11.45	-13.26
N#CC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007601	0	35	0.0	-26.39	329.84	7.42	-18.97
COC(=O)C1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CN1	REAL300012007602	0	39	0.0	-28.25	356.83	7.44	-20.81
COCC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])O1	REAL300012007603	0	39	0.0	-25.55	351.45	7.01	-18.54
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C)=C1OC	REAL300012007604	0	46	0.0	-27.90	383.96	8.72	-19.18
CC1=NC(F)=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007605	0	37	0.0	-26.59	331.47	7.74	-18.85
COC1=CC(C)=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007606	0	42	0.0	-23.40	364.69	9.03	-14.37
CC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CS1	REAL300012007607	0	35	0.0	-24.81	325.77	8.71	-16.10
CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])N=N1	REAL300012007608	0	36	0.0	-34.33	326.69	6.70	-27.63
CN1N=NC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007609	0	34	0.0	-27.55	308.60	5.33	-22.22
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(Cl)=CS1	REAL300012007610	0	32	0.0	-24.62	320.92	8.58	-16.04
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012007611	0	48	0.0	-24.15	396.51	12.11	-12.04
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])N(C)N=C1	REAL300012007612	0	38	0.0	-26.21	336.04	7.19	-19.02
CC1=CC(Cl)=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007613	0	38	0.0	-24.65	353.36	10.17	-14.48
COCC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007614	0	42	0.0	-26.45	368.96	8.69	-17.76
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012007615	0	42	0.0	-22.67	372.54	10.66	-12.01
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012007616	0	42	0.0	-24.78	363.03	11.06	-13.72
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NC=C(Cl)S1	REAL300012007617	0	31	0.0	-22.22	315.70	6.72	-15.50
C=CN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=N1	REAL300012007618	0	36	0.0	-29.86	327.57	7.93	-21.93
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012007619	0	45	0.0	-24.22	378.12	9.41	-14.81
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012007620	0	38	0.0	-27.36	347.36	9.87	-17.49
COC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C)=N1	REAL300012007621	0	44	0.0	-24.10	370.98	6.60	-17.50
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007622	0	39	0.0	-23.41	356.13	8.73	-14.68
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007623	0	45	0.0	-23.47	375.93	9.51	-13.96
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=NN1C	REAL300012007624	0	38	0.0	-28.65	333.49	7.13	-21.52
CCCN1N=C(C)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1C	REAL300012007625	0	47	0.0	-28.15	400.42	9.40	-18.75
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012007626	0	40	0.0	-28.28	357.17	8.66	-19.62
COCCN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=N1	REAL300012007627	0	42	0.0	-30.29	373.14	6.72	-23.57
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012007628	0	45	0.0	-24.19	378.73	11.51	-12.68
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1F	REAL300012007629	0	42	0.0	-30.90	371.39	9.26	-21.64
N#CC1=CSC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007630	0	33	0.0	-30.99	326.40	8.52	-22.47
COC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC=C1C#N	REAL300012007631	0	40	0.0	-32.88	364.84	8.71	-24.17
CC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC=C1C#N	REAL300012007632	0	39	0.0	-29.38	352.98	9.82	-19.56
CC1=CN=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007633	0	34	0.0	-22.45	320.55	6.90	-15.55
CC(C)CN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=N1	REAL300012007634	0	44	0.0	-25.28	378.63	9.13	-16.15
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012007635	0	42	0.0	-22.86	356.84	10.96	-11.90
CCC1=CN=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007636	0	37	0.0	-22.30	342.04	7.68	-14.62
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007637	0	44	0.0	-24.93	376.39	8.63	-16.30
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012007638	0	38	0.0	-25.59	351.76	8.59	-17.00
CC(C)C1=NC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007639	0	40	0.0	-24.91	362.87	8.27	-16.64
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012007640	0	38	0.0	-29.26	362.92	8.10	-21.16
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012007641	0	38	0.0	-29.77	351.31	8.00	-21.77
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])N1	REAL300012007642	0	43	0.0	-30.41	371.21	7.14	-23.27
NC(=O)C1=CSC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007643	0	36	0.0	-28.60	339.31	4.79	-23.81
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007644	0	47	0.0	-24.67	400.05	9.23	-15.44
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012007645	0	41	0.0	-24.88	368.46	9.07	-15.81
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007646	0	41	0.0	-22.11	354.59	10.22	-11.89
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012007647	0	35	0.0	-24.64	330.13	6.87	-17.77
CC(C)C1=CN=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007648	0	40	0.0	-22.59	363.31	8.29	-14.30
CC(C)(C)C1=CN=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007649	0	43	0.0	-21.87	380.19	8.75	-13.12
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012007650	0	38	0.0	-24.62	349.34	8.39	-16.23
COCCCN1N=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007651	0	45	0.0	-24.85	378.58	7.78	-17.07
CC1=CC(F)=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(Cl)=C1	REAL300012007652	0	38	0.0	-22.36	353.03	10.00	-12.36
CSCC1=CN=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007653	0	38	0.0	-24.49	366.59	8.16	-16.33
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012007654	0	35	0.0	-29.06	332.63	8.93	-20.13
CCN1N=C(C)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007655	0	40	0.0	-23.56	353.04	6.55	-17.01
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012007656	0	42	0.0	-25.16	363.03	11.06	-14.10
CC1=NN(C)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007657	0	38	0.0	-27.55	337.78	7.15	-20.40
N#CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1F	REAL300012007658	0	36	0.0	-30.22	339.72	9.36	-20.86
CC1=CC(F)=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(F)=C1	REAL300012007659	0	38	0.0	-24.56	345.83	9.68	-14.88
CC(C)CN1N=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007660	0	44	0.0	-24.82	374.09	8.42	-16.40
COC(=O)C1=C(C)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CN1	REAL300012007661	0	42	0.0	-26.13	370.54	7.94	-18.19
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007662	0	45	0.0	-32.56	391.84	10.96	-21.60
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007663	0	44	0.0	-22.97	363.56	10.62	-12.35
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NN2CCCCC2=C1	REAL300012007664	0	42	0.0	-29.04	359.77	8.33	-20.71
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012007665	0	41	0.0	-25.11	359.87	8.44	-16.67
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012007666	0	37	0.0	-25.58	336.50	7.75	-17.83
CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(Cl)=C1	REAL300012007667	0	38	0.0	-26.19	348.44	10.10	-16.09
CCC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007668	0	41	0.0	-23.97	355.86	10.35	-13.62
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(F)=C1	REAL300012007669	0	39	0.0	-23.47	350.19	8.31	-15.16
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012007670	0	42	0.0	-24.67	359.53	10.85	-13.82
COC1=CC=CC(F)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007671	0	39	0.0	-24.88	348.71	8.39	-16.49
CCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C)=C1	REAL300012007672	0	48	0.0	-23.80	400.59	10.57	-13.23
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012007673	0	37	0.0	-25.62	345.93	8.70	-16.92
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C2CCCN2N=C1	REAL300012007674	0	39	0.0	-27.05	341.70	7.60	-19.45
CCC1=C2OC(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])=CC2=CC=C1	REAL300012007675	0	44	0.0	-24.04	384.68	10.92	-13.12
C=CCCN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])N=N1	REAL300012007676	0	41	0.0	-34.99	367.71	7.66	-27.33
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=NN1CC1CC1	REAL300012007677	0	42	0.0	-25.73	368.32	9.00	-16.73
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012007678	0	43	0.0	-24.33	381.10	10.00	-14.33
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C)=C1	REAL300012007679	0	45	0.0	-24.99	381.30	9.84	-15.15
COC1=NC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007680	0	38	0.0	-23.66	340.95	5.77	-17.89
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012007681	0	48	0.0	-25.33	399.44	12.21	-13.12
COCC1=CSC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007682	0	39	0.0	-25.85	358.50	7.75	-18.10
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012007683	0	41	0.0	-24.65	357.40	7.47	-17.18
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012007684	0	35	0.0	-29.33	345.84	9.15	-20.18
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012007685	0	35	0.0	-29.97	335.77	8.32	-21.65
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012007686	0	35	0.0	-21.68	336.45	9.05	-12.63
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012007687	0	35	0.0	-24.72	337.42	9.38	-15.34
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012007688	0	35	0.0	-24.84	332.36	9.17	-15.67
CCCN1N=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007689	0	41	0.0	-24.31	351.05	8.15	-16.16
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007690	0	38	0.0	-30.03	357.21	7.55	-22.48
CCCC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007691	0	41	0.0	-22.76	368.99	10.42	-12.34
CC(C)C1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007692	0	44	0.0	-25.40	375.44	10.92	-14.48
CN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(Cl)=N1	REAL300012007693	0	35	0.0	-30.49	332.37	7.14	-23.35
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012007694	0	48	0.0	-23.88	404.02	12.43	-11.45
COC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC=C1Cl	REAL300012007695	0	39	0.0	-28.09	360.66	8.85	-19.24
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012007696	0	45	0.0	-23.94	382.73	9.45	-14.49
CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(F)=C1	REAL300012007697	0	38	0.0	-28.79	342.20	9.70	-19.09
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007698	0	42	0.0	-30.93	371.04	7.91	-23.02
CN1N=CC2=CC(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])=CN=C21	REAL300012007699	0	40	0.0	-31.83	358.21	8.09	-23.74
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007700	0	45	0.0	-25.46	378.05	8.95	-16.51
CC1=C(C)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CS1	REAL300012007701	0	38	0.0	-24.13	341.71	9.33	-14.80
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012007702	0	34	0.0	-28.88	331.40	7.64	-21.24
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012007703	0	41	0.0	-24.67	360.38	11.13	-13.54
CCOC1=CC(F)=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007704	0	42	0.0	-26.07	371.67	9.25	-16.82
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007705	0	48	0.0	-27.61	394.30	10.09	-17.52
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007706	0	38	0.0	-25.86	340.76	9.95	-15.91
COC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C(F)C=C1C	REAL300012007707	0	42	0.0	-22.92	369.33	9.08	-13.84
CC(C)(C)C1=CSC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007708	0	43	0.0	-22.62	380.75	8.72	-13.90
COCCC1=NC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007709	0	41	0.0	-26.12	375.76	6.74	-19.38
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012007710	1	36	0.0	-26.38	336.11	6.32	-20.06
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012007711	0	43	0.0	-24.71	361.94	8.97	-15.74
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012007712	0	37	0.0	-34.34	340.73	9.47	-24.87
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012007713	0	40	0.0	-26.97	345.85	9.09	-17.88
CCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1C	REAL300012007714	0	48	0.0	-26.61	408.06	10.77	-15.84
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012007715	0	39	0.0	-31.99	351.17	7.41	-24.58
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007716	0	42	0.0	-26.54	370.56	9.31	-17.23
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012007717	0	40	0.0	-32.80	347.66	9.95	-22.85
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007718	0	43	0.0	-30.96	368.27	10.43	-20.53
CC1=COC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007719	0	35	0.0	-26.55	316.50	7.77	-18.78
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012007720	0	34	0.0	-29.68	326.89	7.66	-22.02
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007721	0	42	0.0	-26.37	365.93	10.34	-16.03
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN(CCF)N=C1	REAL300012007723	0	38	0.0	-27.71	346.06	7.80	-19.91
CCCC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007725	0	44	0.0	-25.21	379.56	11.22	-13.99
CC1=C2C=C(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])C=NC2=NN1	REAL300012007726	0	40	0.0	-38.14	358.19	7.51	-30.63
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NC=CS1	REAL300012007727	0	31	0.0	-22.75	298.64	6.10	-16.65
CN1N=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C2=CC=CC=C21	REAL300012007728	0	41	0.0	-28.62	365.17	8.92	-19.70
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012007729	0	38	0.0	-28.36	342.01	7.61	-20.75
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012007729	1	38	0.0	-24.07	342.31	7.63	-16.44
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007730	0	35	0.0	-28.36	346.42	8.21	-20.15
CCC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007731	0	38	0.0	-23.43	348.81	9.69	-13.74
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012007732	0	40	0.0	-22.27	348.33	9.16	-13.11
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])N2C=CC=CC2=N1	REAL300012007733	0	41	0.0	-29.10	362.50	9.99	-19.11
CCC1=NC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007734	0	37	0.0	-25.34	342.09	7.67	-17.67
COC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])SC=C1	REAL300012007735	0	36	0.0	-26.14	335.35	7.41	-18.73
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012007736	0	41	0.0	-28.19	371.31	7.23	-20.96
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CSC=C1Cl	REAL300012007737	0	32	0.0	-20.89	317.60	8.33	-12.56
CCCC(C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-])C1=CC=CC=C1	REAL300012007738	0	47	0.0	-26.86	391.21	11.68	-15.18
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1CC2CCC1C2	REAL300012007739	0	42	0.0	-25.50	338.25	9.55	-15.95
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(F)N=C1	REAL300012007740	0	34	0.0	-28.42	316.48	7.16	-21.26
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012007741	0	35	0.0	-28.93	346.04	9.31	-19.62
CC1(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])CCC1	REAL300012007742	0	38	0.0	-23.90	315.82	8.56	-15.34
CC1(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])CC1	REAL300012007743	0	35	0.0	-24.33	300.88	8.25	-16.08
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1(C(F)F)CC1	REAL300012007744	0	35	0.0	-24.55	316.41	8.37	-16.18
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])NN=C1	REAL300012007745	0	35	0.0	-25.67	312.00	5.96	-19.71
CC1=CNN=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007745	1	35	0.0	-28.87	315.98	6.03	-22.84
CC1=CN=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])N1C	REAL300012007746	0	38	0.0	-31.01	335.49	7.84	-23.17
CC(C)C1CCC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])CC1	REAL300012007747	0	50	0.0	-26.90	383.23	10.77	-16.13
CCC1=NOC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007748	0	37	0.0	-26.38	332.54	7.76	-18.62
CN1N=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1Cl	REAL300012007749	0	35	0.0	-25.66	332.53	7.09	-18.57
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012007750	0	37	0.0	-26.52	336.55	6.44	-20.08
CC1=CN=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007751	0	37	0.0	-25.18	323.13	7.76	-17.42
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012007752	0	42	0.0	-27.80	362.99	11.08	-16.72
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012007753	0	41	0.0	-25.39	359.37	9.70	-15.69
CC(C)N1C=CN=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007755	0	41	0.0	-29.07	354.71	8.77	-20.30
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007756	0	38	0.0	-29.50	352.11	7.60	-21.90
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007757	0	42	0.0	-26.11	365.89	8.65	-17.46
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007758	0	45	0.0	-24.76	378.74	9.03	-15.73
CC1=NC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])N1C	REAL300012007759	0	38	0.0	-25.84	334.79	7.94	-17.90
CC1=C2C=C(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])NC2=CC=C1	REAL300012007760	0	42	0.0	-26.54	367.97	9.59	-16.95
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012007761	0	41	0.0	-24.70	365.15	8.09	-16.61
CC1=CC=C2C=C(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])NC2=C1	REAL300012007762	0	42	0.0	-26.05	366.23	9.52	-16.53
CC1=NC=CN=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007763	0	36	0.0	-22.93	319.01	5.70	-17.23
CCOC1=CN=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007764	0	41	0.0	-27.19	360.19	7.36	-19.83
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=NC=C1Cl	REAL300012007765	0	34	0.0	-27.61	321.76	7.69	-19.92
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012007766	0	46	0.0	-27.00	389.56	7.58	-19.42
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012007767	0	38	0.0	-29.90	341.29	7.70	-22.20
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007768	0	43	0.0	-28.37	353.31	9.33	-19.04
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=NC(F)=C1	REAL300012007769	0	34	0.0	-27.20	314.27	7.10	-20.10
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012007770	0	39	0.0	-26.93	344.33	8.95	-17.98
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012007771	0	38	0.0	-35.16	346.50	6.44	-28.72
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012007772	0	37	0.0	-27.72	343.32	8.05	-19.67
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007773	0	44	0.0	-27.15	385.74	9.40	-17.75
COC1=CN=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1C	REAL300012007774	0	41	0.0	-26.57	354.37	7.10	-19.47
CC1=CC(C)=C(C=CC[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C)=C1	REAL300012007775	0	48	0.0	-26.91	405.18	12.12	-14.79
CCCN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])N=N1	REAL300012007776	0	40	0.0	-35.31	354.89	7.10	-28.21
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007777	0	43	0.0	-23.15	369.06	8.95	-14.20
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012007778	0	39	0.0	-24.09	346.59	9.65	-14.44
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012007779	0	40	0.0	-34.35	361.32	9.40	-24.95
CC1=CC(C)=C(C=CC[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1C	REAL300012007780	0	48	0.0	-27.80	402.14	12.02	-15.78
CC1=NSC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007781	0	34	0.0	-28.18	319.53	7.34	-20.84
CCN1N=CN=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007782	0	37	0.0	-21.95	327.29	8.13	-13.82
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012007783	0	38	0.0	-28.56	343.89	6.30	-22.26
CCC1=CNC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007784	0	38	0.0	-31.46	337.95	7.07	-24.39
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012007785	0	44	0.0	-26.93	366.81	9.46	-17.47
CC1=NN(C)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1Cl	REAL300012007786	0	38	0.0	-21.79	352.01	7.58	-14.21
CN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C2CCCC2)=N1	REAL300012007787	0	48	0.0	-24.82	401.29	9.82	-15.00
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012007788	0	43	0.0	-25.79	367.50	9.59	-16.20
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007789	0	45	0.0	-37.37	383.21	8.65	-28.72
CCC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(Cl)=NN1	REAL300012007790	0	38	0.0	-27.69	346.51	7.13	-20.56
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012007791	0	39	0.0	-21.71	360.27	7.91	-13.80
CCC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C)=NO1	REAL300012007792	0	40	0.0	-26.48	349.92	8.58	-17.90
CCN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])N=N1	REAL300012007793	0	37	0.0	-35.74	333.40	6.34	-29.40
CC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C2CCCCC2=N1	REAL300012007794	0	47	0.0	-25.27	386.43	10.13	-15.14
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])O1	REAL300012007795	0	39	0.0	-28.06	350.79	8.51	-19.55
CCN1C=NC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007796	0	38	0.0	-31.44	339.05	9.17	-22.27
CC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CN=C1F	REAL300012007797	0	37	0.0	-28.11	336.76	7.78	-20.33
CC1=CC(F)=NC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007798	0	37	0.0	-29.32	332.40	7.72	-21.60
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012007799	0	38	0.0	-26.55	352.16	9.88	-16.67
COC(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1C	REAL300012007800	0	44	0.0	-27.73	383.80	10.12	-17.61
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C)=C1	REAL300012007801	0	42	0.0	-24.23	357.24	8.84	-15.39
CC1CC2=CC(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])=CC=C2O1	REAL300012007802	0	43	0.0	-27.05	372.11	9.58	-17.47
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012007803	0	38	0.0	-39.62	346.88	6.49	-33.13
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012007804	0	40	0.0	-22.91	348.71	8.75	-14.16
CSCC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007805	0	42	0.0	-26.49	380.02	10.85	-15.64
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012007806	0	45	0.0	-26.39	387.37	9.75	-16.64
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007807	0	43	0.0	-27.02	369.14	6.57	-20.45
CN1N=C2CCCC2=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007808	0	42	0.0	-26.51	360.57	8.43	-18.08
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=NN1C1CCC1	REAL300012007809	0	42	0.0	-24.94	363.95	8.79	-16.15
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012007810	0	42	0.0	-25.43	361.97	8.74	-16.69
COC1=CC=C(C)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007811	0	42	0.0	-23.16	354.51	8.74	-14.42
CN1C=NC2=CC=CC(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])=C21	REAL300012007812	0	41	0.0	-27.73	353.53	10.23	-17.50
CCC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007813	0	41	0.0	-22.77	346.53	10.21	-12.56
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007814	0	45	0.0	-35.18	385.91	8.84	-26.34
CC1=CC(F)=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007815	0	38	0.0	-25.11	343.04	9.74	-15.37
CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C)=C1C	REAL300012007816	0	44	0.0	-23.74	361.42	10.63	-13.11
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007817	0	45	0.0	-30.73	393.13	8.13	-22.60
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007818	0	47	0.0	-20.79	362.23	10.98	-9.81
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN=C2CCCCCN12	REAL300012007819	0	45	0.0	-28.51	371.24	9.39	-19.12
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CON=C1C1CC1	REAL300012007820	0	38	0.0	-28.42	342.04	8.57	-19.85
CCN1CCC2=CC(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])=CC=C21	REAL300012007821	0	47	0.0	-25.45	393.20	9.58	-15.87
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=NN1C(C)C	REAL300012007822	0	44	0.0	-29.22	378.07	8.77	-20.45
CC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC=C1C1CC1	REAL300012007823	0	45	0.0	-24.77	380.88	11.58	-13.19
CCOC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC=N1	REAL300012007824	0	41	0.0	-26.35	364.07	6.64	-19.71
CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1C1CC1	REAL300012007825	0	45	0.0	-24.15	380.94	11.58	-12.57
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])O1	REAL300012007826	0	36	0.0	-27.70	327.61	7.53	-20.17
COCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])O1	REAL300012007827	0	43	0.0	-29.23	383.09	7.71	-21.52
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007828	0	47	0.0	-28.07	398.56	9.32	-18.75
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NN(CCF)C=C1	REAL300012007829	0	38	0.0	-30.30	346.17	7.71	-22.59
CCN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C)=N1	REAL300012007830	0	41	0.0	-28.23	357.20	8.20	-20.03
CN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C2CC2)=N1	REAL300012007831	0	42	0.0	-25.46	368.72	8.94	-16.52
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007832	0	42	0.0	-26.14	367.49	8.67	-17.47
CC(C)C1=NOC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007833	0	40	0.0	-25.12	351.19	8.21	-16.91
COC1=NC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1F	REAL300012007834	0	38	0.0	-23.54	345.65	5.68	-17.86
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN2C=CN=C2S1	REAL300012007835	0	35	0.0	-28.12	331.28	8.92	-19.20
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012007836	0	47	0.0	-25.10	396.92	10.48	-14.62
CC1=C(C)SC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007837	0	37	0.0	-22.54	339.33	7.41	-15.13
CC1OC2=CC=C(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])C=C2C1C	REAL300012007838	0	46	0.0	-27.64	388.63	10.11	-17.53
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CSN=C1	REAL300012007839	0	31	0.0	-28.57	299.73	6.65	-21.92
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007840	0	47	0.0	-22.45	382.74	11.33	-11.12
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])NN=C1C(F)(F)F	REAL300012007841	0	38	0.0	-27.97	352.86	6.85	-21.12
CC(C)CN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])N=N1	REAL300012007842	0	43	0.0	-35.22	374.69	7.85	-27.37
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012007843	0	38	0.0	-22.84	351.01	8.22	-14.62
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012007844	0	35	0.0	-27.99	334.91	6.29	-21.70
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012007845	0	40	0.0	-24.84	348.82	8.76	-16.08
CN1C=C(Cl)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007846	1	35	0.0	-24.99	333.34	7.16	-17.83
CSC1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007847	0	39	0.0	-24.85	355.34	10.01	-14.84
CC(C)C1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])N(C)N=C1	REAL300012007848	0	44	0.0	-25.82	377.26	8.50	-17.32
CC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC(C)=N1	REAL300012007849	0	40	0.0	-27.45	353.23	8.45	-19.00
CCCN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C)=N1	REAL300012007850	0	44	0.0	-28.61	380.68	9.01	-19.60
CCN1C=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007851	0	38	0.0	-29.28	338.25	7.54	-21.74
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012007852	0	37	0.0	-28.40	337.85	7.72	-20.68
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012007854	0	42	0.0	-23.50	380.42	11.25	-12.25
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012007855	0	43	0.0	-27.72	375.67	9.97	-17.75
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007856	0	42	0.0	-37.28	371.69	7.27	-30.01
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007858	0	45	0.0	-36.20	391.86	8.07	-28.13
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012007859	0	41	0.0	-28.31	369.86	10.21	-18.10
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012007860	0	42	0.0	-25.63	360.09	7.83	-17.80
CCCN1C=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007861	0	41	0.0	-29.66	361.07	8.33	-21.33
CC(C)N1C=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007862	0	41	0.0	-24.17	358.28	8.08	-16.09
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007863	0	46	0.0	-25.56	386.62	9.50	-16.06
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012007864	0	38	0.0	-34.13	356.13	8.03	-26.10
CN1C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=NC2=C1CCCC2	REAL300012007865	0	45	0.0	-22.66	377.89	9.68	-12.98
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007866	0	38	0.0	-23.75	357.81	6.19	-17.56
CN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012007867	0	38	0.0	-23.41	351.41	7.77	-15.64
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012007868	0	38	0.0	-34.94	352.49	9.89	-25.05
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012007869	0	43	0.0	-27.06	361.43	9.00	-18.06
COC1=NN(C)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007870	0	39	0.0	-32.35	349.61	4.70	-27.65
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012007871	0	39	0.0	-23.73	354.59	6.33	-17.40
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012007872	0	42	0.0	-23.94	359.50	9.83	-14.11
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012007873	0	37	0.0	-33.04	349.85	9.74	-23.30
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012007874	0	48	0.0	-27.71	397.61	9.97	-17.74
CN(CCO)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=N1	REAL300012007876	0	46	0.0	-27.66	394.79	6.57	-21.09
COC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=N1	REAL300012007877	0	41	0.0	-26.49	356.01	6.17	-20.32
COC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1O	REAL300012007878	0	43	0.0	-26.05	365.21	6.57	-19.48
COC1=NC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC=C1C	REAL300012007879	0	41	0.0	-22.88	361.21	6.34	-16.54
CCCN1C=NC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007880	0	41	0.0	-24.53	353.44	9.90	-14.63
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CNC1=O	REAL300012007881	0	35	0.0	-28.25	318.84	5.91	-22.34
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012007882	0	42	0.0	-30.05	370.08	8.87	-21.18
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012007883	0	48	0.0	-24.62	405.02	12.48	-12.14
CCC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=NN1CC	REAL300012007884	0	44	0.0	-23.94	372.92	8.87	-15.07
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012007885	0	35	0.0	-26.43	340.65	9.50	-16.93
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012007886	0	39	0.0	-26.99	346.74	7.46	-19.53
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012007887	0	39	0.0	-27.93	356.18	8.45	-19.48
COC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=CS1	REAL300012007888	0	36	0.0	-23.52	336.66	7.41	-16.11
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012007889	0	38	0.0	-30.13	354.47	8.79	-21.34
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007890	0	41	0.0	-28.61	368.43	10.52	-18.09
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=N1	REAL300012007891	0	42	0.0	-33.45	374.68	6.63	-26.82
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])S1	REAL300012007892	0	41	0.0	-25.59	380.58	8.29	-17.30
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012007893	0	35	0.0	-28.57	330.18	9.10	-19.47
CC(C)(C)C1=NNC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007894	0	44	0.0	-27.28	377.18	7.83	-19.45
C=CCC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007895	0	42	0.0	-23.77	362.26	10.87	-12.90
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC=CC1=CC=CC=C1	REAL300012007896	0	39	0.0	-25.96	344.01	10.21	-15.75
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN=NN1C1CC1	REAL300012007897	0	38	0.0	-26.37	340.33	6.97	-19.40
COCC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007898	0	42	0.0	-25.00	361.12	8.85	-16.15
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012007899	0	43	0.0	-26.57	368.93	9.09	-17.48
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN(CCO)N=C1	REAL300012007900	0	39	0.0	-30.74	350.89	4.30	-26.44
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012007901	0	41	0.0	-29.91	367.59	7.09	-22.82
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC=CC1=CC=NC=C1	REAL300012007902	0	38	0.0	-30.67	341.19	8.52	-22.15
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007903	0	42	0.0	-25.38	368.27	7.00	-18.38
C=CC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007904	0	39	0.0	-25.73	346.29	10.09	-15.64
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007905	0	41	0.0	-28.38	352.73	10.43	-17.95
CCN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C2CC2)=N1	REAL300012007906	0	45	0.0	-24.96	390.26	9.80	-15.16
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007907	0	43	0.0	-27.67	360.68	8.66	-19.01
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012007908	0	40	0.0	-28.40	354.90	9.44	-18.96
CC1=CC2=CC=CC(C[NH2+]C(CC3=C(Cl)C=NC=C3Cl)C(=O)[O-])=C2O1	REAL300012007909	0	41	0.0	-29.21	363.03	10.11	-19.10
COC1=CSC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1OC	REAL300012007910	0	40	0.0	-27.11	367.99	7.04	-20.07
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CON=C1C1CCC1	REAL300012007911	0	41	0.0	-28.01	357.93	9.01	-19.00
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007912	0	38	0.0	-36.57	357.67	4.55	-32.02
CCN1C=C(Cl)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007913	1	38	0.0	-26.79	356.15	8.06	-18.73
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012007914	0	35	0.0	-23.27	340.49	9.55	-13.72
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012007915	0	38	0.0	-25.09	347.14	9.86	-15.23
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012007916	0	41	0.0	-30.06	365.74	11.26	-18.80
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CSC(Cl)=C1	REAL300012007917	0	32	0.0	-24.19	320.87	8.52	-15.67
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=NN1C1CCC1	REAL300012007918	0	45	0.0	-24.48	380.70	9.41	-15.07
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007919	0	48	0.0	-24.13	400.06	9.99	-14.14
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=NN1CC(F)F	REAL300012007920	0	38	0.0	-26.17	342.82	7.68	-18.49
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012007921	0	34	0.0	-24.38	328.42	7.56	-16.82
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007922	0	42	0.0	-22.10	367.74	7.05	-15.05
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012007923	0	42	0.0	-28.54	362.07	8.64	-19.90
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012007924	0	38	0.0	-26.98	352.62	7.86	-19.12
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012007925	0	39	0.0	-32.98	359.77	8.40	-24.58
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012007926	0	46	0.0	-29.05	390.55	7.65	-21.40
CC1=CN(C)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007927	0	38	0.0	-31.11	335.48	7.92	-23.19
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012007928	0	45	0.0	-28.04	379.64	9.32	-18.72
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012007929	0	34	0.0	-24.10	341.02	8.08	-16.02
CC1=NSC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007930	0	34	0.0	-25.67	316.00	7.22	-18.45
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007931	0	48	0.0	-25.25	400.47	10.03	-15.22
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012007932	0	38	0.0	-24.29	337.91	9.76	-14.53
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012007933	0	38	0.0	-30.13	341.38	7.71	-22.42
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012007934	0	35	0.0	-24.11	342.25	9.61	-14.50
CC1=C(F)C=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007935	0	38	0.0	-26.13	330.33	9.48	-16.65
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007936	0	40	0.0	-32.00	363.66	8.76	-23.24
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007937	0	37	0.0	-25.84	341.93	8.22	-17.62
COC1=CC(Cl)=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007938	0	39	0.0	-26.43	361.46	8.81	-17.62
COC1=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=CC(F)=C1F	REAL300012007939	0	39	0.0	-31.37	355.92	8.39	-22.98
COC1=CC(C)=NC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007940	0	41	0.0	-26.53	359.05	7.16	-19.37
CC(C)N1C=NC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007941	0	41	0.0	-23.86	358.72	9.56	-14.30
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007942	0	42	0.0	-26.32	378.88	6.50	-19.82
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C2CC2)=NO1	REAL300012007943	0	41	0.0	-24.00	363.08	9.36	-14.64
CC(C)OC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])O1	REAL300012007944	0	42	0.0	-24.21	371.14	9.23	-14.98
N#CC1=CC(F)=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007945	0	36	0.0	-31.29	342.49	9.45	-21.84
COC1=CC=CC=C1C=CC[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007946	0	43	0.0	-29.65	373.31	9.62	-20.03
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007947	0	45	0.0	-28.02	382.93	9.37	-18.65
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=NN1CC(F)F	REAL300012007948	0	41	0.0	-26.42	367.13	8.34	-18.08
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007949	0	42	0.0	-31.07	378.53	8.25	-22.82
COC1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C)=N1	REAL300012007950	0	41	0.0	-25.80	357.23	6.27	-19.53
CCN(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C)=C1	REAL300012007951	0	49	0.0	-24.55	403.20	10.97	-13.58
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=NS1	REAL300012007952	0	34	0.0	-24.64	314.68	7.32	-17.32
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007953	0	46	0.0	-25.25	392.88	8.38	-16.87
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=NO1	REAL300012007954	0	34	0.0	-24.97	309.02	7.21	-17.76
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(CF)C=C1	REAL300012007955	0	38	0.0	-27.47	343.15	9.82	-17.65
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012007956	0	38	0.0	-25.75	349.90	10.30	-15.45
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC=C1CO	REAL300012007957	0	39	0.0	-25.59	339.31	6.43	-19.16
CC1=NSC(C)=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007958	0	37	0.0	-26.03	337.69	7.84	-18.19
CC(C)(C)C1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=NO1	REAL300012007959	0	43	0.0	-25.55	354.88	8.86	-16.69
C=CCN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=N1	REAL300012007960	0	39	0.0	-25.78	350.11	8.14	-17.64
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012007961	0	38	0.0	-28.01	339.21	7.63	-20.38
CCC(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=C1	REAL300012007962	0	47	0.0	-24.52	392.57	11.55	-12.97
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=N1	REAL300012007963	0	40	0.0	-30.81	364.28	8.94	-21.87
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012007964	0	45	0.0	-23.88	370.52	11.37	-12.51
O=C([O-])C(CC1=C(Cl)C=NC=C1Cl)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012007965	0	41	0.0	-32.70	367.49	8.91	-23.79
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012007966	0	44	0.0	-25.56	372.10	11.74	-13.82
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007967	0	43	0.0	-24.39	376.06	8.42	-15.97
CC1=NC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C(C)S1	REAL300012007968	0	37	0.0	-27.86	339.37	7.36	-20.50
CCCN1N=CC(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1C	REAL300012007969	0	44	0.0	-29.19	379.80	8.85	-20.34
CC1=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012007970	0	43	0.0	-29.44	371.09	10.10	-19.34
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])=C1	REAL300012007971	0	42	0.0	-27.91	377.04	9.12	-18.79
CCCN1N=C(C)C=C1C[NH2+]C(CC1=C(Cl)C=NC=C1Cl)C(=O)[O-]	REAL300012007972	0	44	0.0	-24.92	374.10	8.76	-16.16
CN1C=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])C(C2CCC2)=N1	REAL300012007973	0	45	0.0	-24.81	384.14	9.33	-15.48
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=C(Cl)C=NC=C2Cl)C(=O)[O-])O1	REAL300012007974	0	43	0.0	-28.00	374.37	6.49	-21.51
CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012007975	0	41	0.0	-27.67	356.07	9.85	-17.82
CC1=CC=C(C)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012007976	0	41	0.0	-28.43	361.07	10.01	-18.42
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012007977	0	40	0.0	-33.58	364.66	9.05	-24.53
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1CC2C=CC1C2	REAL300012007978	0	40	0.0	-30.06	339.90	9.20	-20.86
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1CCCCC1	REAL300012007979	0	41	0.0	-31.77	345.87	9.06	-22.71
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012007980	0	47	0.0	-29.87	401.03	11.05	-18.82
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012007981	0	42	0.0	-31.70	377.92	8.46	-23.24
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012007982	0	32	0.0	-29.09	325.99	7.54	-21.55
CCOC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC=C1OC	REAL300012007983	0	46	0.0	-32.99	404.11	8.80	-24.19
CC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1C	REAL300012007984	0	41	0.0	-27.62	353.03	9.69	-17.93
CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012007985	0	41	0.0	-30.01	363.24	9.93	-20.08
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012007986	0	45	0.0	-30.43	392.74	9.65	-20.78
CCC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012007987	0	44	0.0	-28.54	394.63	10.63	-17.91
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(Cl)=C1	REAL300012007988	0	39	0.0	-31.00	363.47	8.35	-22.65
N#CC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012007989	0	36	0.0	-34.48	343.53	9.03	-25.45
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012007990	0	39	0.0	-31.73	358.85	7.52	-24.21
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012007991	0	38	0.0	-29.77	358.89	10.02	-19.75
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012007992	0	41	0.0	-32.06	370.93	9.21	-22.85
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])O1	REAL300012007993	0	42	0.0	-33.42	379.38	8.17	-25.25
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012007994	0	41	0.0	-36.35	375.44	6.76	-29.59
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012007995	0	32	0.0	-29.06	330.81	8.41	-20.65
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012007996	0	40	0.0	-26.31	363.30	9.22	-17.09
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012007997	0	42	0.0	-34.23	381.03	9.85	-24.38
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012007998	0	41	0.0	-38.98	376.83	11.21	-27.77
CCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])O1	REAL300012007999	0	38	0.0	-28.75	347.69	8.42	-20.33
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012008000	0	35	0.0	-29.28	336.80	8.82	-20.46
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012008001	0	35	0.0	-31.68	343.06	9.23	-22.45
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012008002	0	35	0.0	-32.46	346.10	9.24	-23.22
CCOC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008003	0	42	0.0	-29.66	374.87	8.91	-20.75
CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012008004	0	38	0.0	-32.96	350.23	9.39	-23.57
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012008005	0	35	0.0	-26.55	352.94	9.64	-16.91
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012008006	0	35	0.0	-36.86	343.83	8.91	-27.95
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012008007	0	38	0.0	-29.59	362.25	10.26	-19.33
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012008008	0	35	0.0	-33.09	347.42	9.29	-23.80
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012008009	0	34	0.0	-28.16	331.78	7.35	-20.81
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008010	0	44	0.0	-32.38	386.78	8.26	-24.12
COCCOC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008011	0	46	0.0	-32.04	409.81	8.22	-23.82
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300012008012	0	39	0.0	-31.91	369.04	8.53	-23.38
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012008013	0	41	0.0	-32.28	367.79	7.93	-24.35
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012008014	0	44	0.0	-34.98	384.68	8.74	-26.24
CCCOC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008015	0	45	0.0	-30.06	397.68	9.75	-20.31
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008016	0	45	0.0	-30.74	394.10	9.57	-21.17
CC(C)C1=NC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CS1	REAL300012008017	0	40	0.0	-27.40	372.63	7.75	-19.65
CC(C)(C)C1=NC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CS1	REAL300012008018	0	43	0.0	-26.70	390.24	8.23	-18.47
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])OC=C1	REAL300012008019	0	35	0.0	-31.30	326.13	7.48	-23.82
CC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CN=C1Cl	REAL300012008020	0	37	0.0	-32.69	353.18	7.88	-24.81
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012008021	0	40	0.0	-32.33	368.93	9.26	-23.07
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012008022	0	40	0.0	-31.68	371.02	9.33	-22.35
COC1=CC=C2OC(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])=CC2=C1	REAL300012008023	0	42	0.0	-31.56	380.89	8.49	-23.07
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012008024	0	39	0.0	-33.61	371.27	10.50	-23.11
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012008025	0	41	0.0	-28.95	373.14	9.85	-19.10
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012008026	0	38	0.0	-32.62	351.46	9.05	-23.57
CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])N=C1	REAL300012008027	0	37	0.0	-32.62	339.92	7.50	-25.12
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012008028	0	39	0.0	-34.79	366.47	10.08	-24.71
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012008029	0	42	0.0	-34.99	382.40	9.81	-25.18
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012008030	0	32	0.0	-26.20	329.09	8.26	-17.94
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012008031	0	39	0.0	-32.88	363.26	8.74	-24.14
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012008032	0	39	0.0	-32.86	361.84	8.70	-24.16
CCOC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008033	0	41	0.0	-27.96	372.56	6.27	-21.69
CC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012008034	0	43	0.0	-34.08	383.92	9.83	-24.25
CC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC=C1Cl	REAL300012008035	0	38	0.0	-30.62	358.14	9.75	-20.87
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012008036	0	37	0.0	-32.90	354.55	8.13	-24.77
CCCC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008037	0	44	0.0	-29.13	387.89	10.89	-18.24
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1C#N	REAL300012008038	0	40	0.0	-37.24	373.22	8.40	-28.84
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008039	0	41	0.0	-28.53	371.43	10.21	-18.32
CCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])N=C1	REAL300012008040	0	41	0.0	-28.20	369.95	7.05	-21.15
C=CCOC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008041	0	43	0.0	-29.88	387.77	9.50	-20.38
CC1=CC(C)=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012008042	0	44	0.0	-27.44	373.10	10.37	-17.07
CC(C)(C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012008043	0	44	0.0	-30.86	370.74	10.35	-20.51
CC1CCC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])CC1	REAL300012008044	0	44	0.0	-30.17	358.35	9.41	-20.76
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008045	0	47	0.0	-34.04	403.85	11.60	-22.44
CCC1CCCC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C1	REAL300012008046	0	47	0.0	-29.76	382.74	10.24	-19.52
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008047	0	41	0.0	-24.40	370.30	10.21	-14.19
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])=CC2=C1	REAL300012008048	0	44	0.0	-29.92	389.72	10.41	-19.51
CCCC1CCC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])CC1	REAL300012008049	0	50	0.0	-31.73	406.40	11.07	-20.66
CC1CCCCC1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008050	0	44	0.0	-31.64	356.28	9.31	-22.33
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012008051	0	42	0.0	-36.00	378.63	11.03	-24.97
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008052	0	42	0.0	-30.15	374.42	8.76	-21.39
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012008053	0	39	0.0	-33.72	360.56	8.10	-25.62
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012008054	0	44	0.0	-33.59	374.91	9.69	-23.90
CC(C)C1CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])CCO1	REAL300012008055	0	48	0.0	-31.81	394.65	8.74	-23.07
CC1(C)CCC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])CC1	REAL300012008056	0	47	0.0	-31.20	378.50	9.91	-21.29
CCSC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008057	0	42	0.0	-29.40	385.19	10.54	-18.86
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012008058	1	36	0.0	-28.69	356.03	6.46	-22.23
COC1(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])CCCCC1	REAL300012008059	0	45	0.0	-28.10	366.53	8.05	-20.05
CCN1N=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012008060	0	44	0.0	-29.23	396.62	9.51	-19.72
COCCC1(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])CCCCC1	REAL300012008061	0	51	0.0	-29.30	399.19	8.84	-20.46
CCCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008062	0	45	0.0	-30.38	395.52	9.67	-20.71
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012008063	0	38	0.0	-30.53	352.74	9.25	-21.28
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012008064	0	42	0.0	-30.19	385.11	10.62	-19.57
CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012008065	0	40	0.0	-35.48	371.71	10.03	-25.45
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008066	0	45	0.0	-31.79	394.11	9.57	-22.22
CC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC=C1F	REAL300012008067	0	38	0.0	-32.38	351.55	9.42	-22.96
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012008068	0	39	0.0	-29.23	356.22	8.73	-20.50
CC(C)CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008069	0	47	0.0	-28.96	403.82	11.33	-17.63
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012008070	0	35	0.0	-31.30	357.00	9.69	-21.61
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012008071	0	35	0.0	-31.53	345.81	9.23	-22.30
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008072	0	41	0.0	-26.52	352.08	9.60	-16.92
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012008073	0	32	0.0	-30.40	326.00	7.45	-22.95
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012008074	0	39	0.0	-32.83	364.08	8.30	-24.53
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012008075	0	35	0.0	-33.88	347.16	9.27	-24.61
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012008076	0	35	0.0	-28.08	345.80	9.22	-18.86
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012008077	0	35	0.0	-32.60	336.36	8.82	-23.78
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012008078	0	35	0.0	-34.97	345.30	9.20	-25.77
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012008079	0	42	0.0	-30.44	382.22	8.65	-21.79
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012008079	1	42	0.0	-28.08	381.80	8.60	-19.48
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012008080	0	35	0.0	-36.98	336.73	8.81	-28.17
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008081	0	41	0.0	-28.89	369.92	9.03	-19.86
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=N1	REAL300012008082	0	38	0.0	-32.59	350.58	5.38	-27.21
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012008083	0	40	0.0	-32.69	360.75	8.57	-24.12
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012008084	0	46	0.0	-31.39	397.47	8.59	-22.80
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012008085	0	39	0.0	-30.50	355.90	8.74	-21.76
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008086	0	38	0.0	-29.86	341.06	9.25	-20.61
CC1=NC(C)=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008087	0	37	0.0	-30.76	350.69	7.20	-23.56
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008088	0	50	0.0	-31.73	418.82	9.28	-22.45
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008089	0	42	0.0	-36.44	379.14	6.93	-29.51
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012008090	0	41	0.0	-30.58	368.78	10.89	-19.69
COC1=C2OC(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])=CC2=CC=C1	REAL300012008091	0	42	0.0	-31.55	380.92	8.50	-23.05
COC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC(OC)=C1	REAL300012008092	0	43	0.0	-32.36	383.86	7.33	-25.03
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012008094	0	41	0.0	-40.26	373.86	7.73	-32.53
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012008095	0	42	0.0	-34.34	384.26	8.65	-25.69
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012008096	0	41	0.0	-31.80	377.77	8.55	-23.25
CN1C=NC2=CC(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012008097	0	41	0.0	-33.36	371.06	10.00	-23.36
CCN1N=C(C)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1C	REAL300012008098	0	44	0.0	-29.36	386.38	8.29	-21.07
CC1(C)CC2=CC(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])=CC=C2O1	REAL300012008099	0	46	0.0	-32.51	402.24	9.97	-22.54
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012008100	0	41	0.0	-35.78	380.17	7.11	-28.67
CC1=CC=C(F)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008101	0	38	0.0	-27.12	350.79	9.45	-17.67
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008102	0	38	0.0	-29.10	342.74	9.31	-19.79
CC1=NC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008103	0	37	0.0	-31.42	333.71	7.44	-23.98
CC(C)COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008104	0	48	0.0	-30.27	415.63	10.37	-19.90
COCCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008105	0	46	0.0	-32.64	407.65	8.15	-24.49
CC1(C)CCCC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C1	REAL300012008106	0	47	0.0	-31.86	379.82	9.95	-21.91
CC1=CCCC(C)C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008107	0	45	0.0	-31.14	363.82	9.67	-21.47
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-])OCO2	REAL300012008108	0	42	0.0	-32.87	379.02	6.75	-26.12
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012008109	0	40	0.0	-30.20	359.93	9.04	-21.16
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008110	0	48	0.0	-29.85	417.79	10.45	-19.40
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008111	0	38	0.0	-29.25	351.38	9.70	-19.55
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012008112	0	39	0.0	-34.43	360.96	10.05	-24.38
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012008113	0	34	0.0	-33.88	336.57	7.36	-26.52
CN1N=NC2=CC(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012008114	0	40	0.0	-36.81	368.81	7.17	-29.64
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1CCCCCC1	REAL300012008115	0	44	0.0	-30.40	357.05	9.51	-20.89
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])=C2O1	REAL300012008116	0	46	0.0	-32.23	402.11	9.94	-22.29
COC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008117	0	38	0.0	-28.77	352.03	5.38	-23.39
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012008118	0	42	0.0	-38.09	383.24	9.92	-28.17
CC(C)N1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=N1	REAL300012008119	0	41	0.0	-33.66	367.84	7.92	-25.74
CC1=NC2=CC=C(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])C=C2C=C1	REAL300012008120	0	43	0.0	-35.76	387.53	9.69	-26.07
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012008121	0	37	0.0	-29.30	341.62	7.58	-21.72
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012008122	0	38	0.0	-31.51	359.16	9.32	-22.19
COCC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008123	0	42	0.0	-30.68	378.57	8.40	-22.28
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008124	0	48	0.0	-29.71	416.54	10.56	-19.15
COC1=CC(C)=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012008125	0	46	0.0	-31.75	394.99	8.43	-23.32
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012008126	0	39	0.0	-31.21	367.51	7.46	-23.75
CC(C)(C)C1CCC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])CC1	REAL300012008127	0	53	0.0	-31.09	412.47	10.96	-20.13
CC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C(C)O1	REAL300012008128	0	38	0.0	-30.33	345.29	8.30	-22.03
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012008129	0	46	0.0	-32.01	407.86	10.53	-21.48
CC(C)CC1=NC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008130	0	43	0.0	-29.97	391.39	8.86	-21.11
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012008131	0	38	0.0	-29.82	368.99	9.67	-20.15
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008132	0	46	0.0	-32.02	407.17	8.24	-23.78
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012008133	0	38	0.0	-28.64	355.46	7.88	-20.76
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008134	0	39	0.0	-30.84	352.17	7.95	-22.89
CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])O1	REAL300012008135	0	35	0.0	-29.39	327.52	7.68	-21.71
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC=C1	REAL300012008136	0	35	0.0	-30.15	324.85	8.73	-21.42
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008137	0	43	0.0	-31.05	391.67	8.51	-22.54
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012008138	0	41	0.0	-32.54	369.33	7.88	-24.66
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012008139	0	35	0.0	-29.93	340.23	9.19	-20.74
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012008140	0	42	0.0	-35.36	383.66	9.94	-25.42
CC(C)(C)N1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=N1	REAL300012008141	0	44	0.0	-30.56	385.43	8.47	-22.09
CC1=CC(C)=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008142	0	41	0.0	-29.78	367.68	10.05	-19.73
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(CO)O1	REAL300012008143	0	36	0.0	-32.22	338.93	4.34	-27.88
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CS1	REAL300012008144	0	32	0.0	-28.65	315.09	7.83	-20.82
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008145	0	42	0.0	-35.92	381.18	7.61	-28.31
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012008146	0	35	0.0	-25.96	336.73	9.21	-16.75
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012008147	0	37	0.0	-36.12	353.04	9.40	-26.72
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012008148	0	37	0.0	-38.68	353.04	9.40	-29.28
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012008149	0	41	0.0	-29.99	362.40	10.78	-19.21
CN(C)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008150	0	43	0.0	-30.53	375.94	9.12	-21.41
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008151	0	49	0.0	-28.94	417.80	10.95	-17.99
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012008152	0	35	0.0	-31.81	341.55	9.25	-22.56
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012008153	0	35	0.0	-27.12	341.25	9.06	-18.06
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012008154	0	35	0.0	-32.52	331.23	8.79	-23.73
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012008155	0	39	0.0	-31.55	362.76	8.37	-23.18
COC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1OC	REAL300012008156	0	43	0.0	-30.80	382.33	7.95	-22.85
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012008157	0	35	0.0	-31.07	353.39	9.67	-21.40
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012008158	0	43	0.0	-33.70	383.57	7.92	-25.78
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(OC)=C1	REAL300012008159	0	43	0.0	-32.13	382.48	7.39	-24.74
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012008160	0	38	0.0	-32.83	362.27	9.69	-23.14
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012008161	0	35	0.0	-33.90	335.52	8.77	-25.13
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012008162	0	35	0.0	-31.74	349.21	9.52	-22.22
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012008163	0	35	0.0	-31.71	355.42	9.65	-22.06
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1CC=CCC1	REAL300012008164	0	39	0.0	-31.11	336.17	8.89	-22.22
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012008165	0	39	0.0	-34.32	364.08	8.31	-26.01
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012008166	0	38	0.0	-34.97	353.45	9.79	-25.18
CCCCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008167	0	48	0.0	-31.34	419.18	10.53	-20.81
COC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008168	0	39	0.0	-29.63	352.17	7.95	-21.68
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008169	0	42	0.0	-30.37	370.33	10.42	-19.95
CCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012008170	0	46	0.0	-33.06	404.11	8.80	-24.26
CC(C)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008171	0	44	0.0	-29.87	385.05	10.66	-19.21
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012008172	0	38	0.0	-31.20	362.24	9.68	-21.52
CCOC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008173	0	42	0.0	-29.74	373.54	8.98	-20.76
CCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008174	0	42	0.0	-31.54	376.18	8.95	-22.59
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC=C1F	REAL300012008175	0	35	0.0	-26.89	328.10	8.73	-18.16
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012008176	0	35	0.0	-31.03	331.23	8.79	-22.24
COC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008177	0	39	0.0	-30.59	352.97	8.09	-22.50
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])SC=C1	REAL300012008178	0	35	0.0	-27.29	332.38	8.37	-18.92
CC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008179	0	38	0.0	-27.78	335.99	9.15	-18.63
CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008180	0	38	0.0	-29.56	344.94	9.36	-20.20
N#CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008181	0	36	0.0	-36.66	345.68	9.12	-27.54
CSC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008182	0	39	0.0	-31.47	365.04	9.75	-21.72
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012008183	0	35	0.0	-26.72	352.92	9.55	-17.17
CC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008184	0	38	0.0	-29.88	346.23	9.39	-20.49
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CSC=C1	REAL300012008185	0	32	0.0	-29.50	312.65	7.59	-21.91
CCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008186	0	41	0.0	-29.99	367.71	10.17	-19.82
CC1=CC(C)=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012008187	0	44	0.0	-27.37	376.12	10.36	-17.01
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012008188	0	35	0.0	-30.16	335.46	8.78	-21.38
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012008189	0	35	0.0	-34.09	337.53	8.85	-25.24
CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008190	0	35	0.0	-27.97	335.65	8.59	-19.38
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1O	REAL300012008191	0	40	0.0	-32.52	363.77	5.82	-26.70
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008192	0	41	0.0	-29.70	364.56	7.42	-22.28
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008193	0	38	0.0	-29.90	361.69	7.32	-22.58
CCC1=NN(C)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008194	0	41	0.0	-32.57	366.79	7.79	-24.78
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012008195	0	38	0.0	-35.30	367.05	7.90	-27.40
CN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012008196	0	47	0.0	-30.21	390.77	8.71	-21.50
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CN=C1	REAL300012008197	0	34	0.0	-33.49	319.69	6.94	-26.55
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CO1	REAL300012008198	0	32	0.0	-32.21	305.57	6.85	-25.36
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=NC=C1	REAL300012008199	0	34	0.0	-32.98	319.69	6.96	-26.02
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(Cl)O1	REAL300012008200	0	32	0.0	-29.13	321.35	7.43	-21.70
CCOC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1OC	REAL300012008201	0	46	0.0	-30.25	405.05	8.93	-21.32
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008202	0	41	0.0	-31.92	379.33	9.52	-22.40
CC1=NOC(C)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008203	0	37	0.0	-32.48	340.67	7.47	-25.01
CC1=NC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CS1	REAL300012008204	0	34	0.0	-27.89	331.43	6.44	-21.45
COC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012008205	0	42	0.0	-36.19	378.26	6.59	-29.60
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012008206	0	41	0.0	-30.57	377.97	8.47	-22.10
CN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=N1	REAL300012008207	0	35	0.0	-31.83	325.48	6.45	-25.38
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012008208	0	42	0.0	-31.47	374.40	8.77	-22.70
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008209	0	44	0.0	-30.35	367.17	7.34	-23.01
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NC=CN1	REAL300012008210	0	32	0.0	-29.40	302.97	5.41	-23.99
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008211	0	43	0.0	-28.46	381.14	7.45	-21.01
CN1C=CN=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008212	0	35	0.0	-35.00	324.02	7.07	-27.93
CC(C)(C)C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008213	0	37	0.0	-29.51	320.68	7.82	-21.69
COC1=CC=C(F)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008214	0	39	0.0	-31.90	358.83	8.06	-23.84
CSC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008215	0	36	0.0	-28.93	357.06	9.01	-19.92
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012008216	0	38	0.0	-33.67	349.55	7.33	-26.34
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN=CN=C1	REAL300012008217	0	33	0.0	-34.13	314.49	6.73	-27.40
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012008218	0	32	0.0	-26.77	329.01	8.22	-18.55
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008219	0	39	0.0	-30.38	358.08	8.12	-22.26
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NNC=C1	REAL300012008220	0	32	0.0	-29.60	303.45	5.09	-24.51
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=NN1	REAL300012008220	1	32	0.0	-32.34	303.44	5.05	-27.29
NC(=O)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008221	0	39	0.0	-36.40	357.21	5.43	-30.97
COC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC=C1F	REAL300012008222	0	39	0.0	-34.03	359.24	8.05	-25.98
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008223	0	39	0.0	-29.74	368.41	8.56	-21.18
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN=CS1	REAL300012008224	0	31	0.0	-30.95	308.29	5.93	-25.02
CN1C=NC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008225	0	35	0.0	-33.76	323.70	7.82	-25.94
COC(=O)C1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CN1C	REAL300012008226	0	42	0.0	-38.40	382.08	8.84	-29.56
CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300012008227	0	38	0.0	-32.46	360.29	9.82	-22.64
COC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC=C1C	REAL300012008228	0	42	0.0	-31.04	373.09	8.73	-22.31
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CSC=N1	REAL300012008229	0	31	0.0	-32.77	308.12	5.69	-27.08
CC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1F	REAL300012008230	0	38	0.0	-32.14	349.42	9.35	-22.79
N#CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012008231	0	36	0.0	-38.64	351.25	9.13	-29.51
CC1=NNC(C)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008232	0	38	0.0	-29.29	343.16	6.18	-23.11
CC1=NNC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008233	0	35	0.0	-33.01	322.30	5.74	-27.27
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=NN1	REAL300012008233	1	35	0.0	-30.82	323.66	5.78	-25.04
CN1N=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008234	0	35	0.0	-32.75	325.48	6.29	-26.46
C#CCCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008235	0	44	0.0	-31.62	401.31	10.20	-21.42
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012008236	0	38	0.0	-29.99	350.52	9.19	-20.80
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])C=C12	REAL300012008237	0	43	0.0	-37.08	388.94	8.38	-28.70
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012008238	0	38	0.0	-27.16	359.99	7.91	-19.25
CCC1=NC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CS1	REAL300012008239	0	37	0.0	-27.54	352.91	7.19	-20.35
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012008240	0	38	0.0	-29.45	368.56	9.73	-19.72
CC1=NN(C)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008241	0	38	0.0	-33.08	346.62	7.02	-26.06
CCN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=N1	REAL300012008242	0	38	0.0	-31.37	347.02	7.32	-24.05
CN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])N=N1	REAL300012008243	0	34	0.0	-39.92	321.64	5.22	-34.70
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008244	0	39	0.0	-35.18	359.37	5.50	-29.68
CN1C=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008245	0	35	0.0	-33.98	327.70	6.43	-27.55
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012008246	0	38	0.0	-37.35	362.02	8.21	-29.14
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1CCCCCCC1	REAL300012008247	0	47	0.0	-30.37	366.21	9.86	-20.51
CC1=CSC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008248	0	34	0.0	-31.93	330.12	6.42	-25.51
COC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1F	REAL300012008249	0	39	0.0	-35.63	358.41	8.01	-27.62
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012008250	0	42	0.0	-29.31	369.05	10.59	-18.72
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=COC=N1	REAL300012008251	0	31	0.0	-29.45	298.95	3.28	-26.17
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008252	0	48	0.0	-29.96	416.47	10.51	-19.45
CCN1N=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008253	0	38	0.0	-29.98	342.54	7.27	-22.71
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012008254	0	41	0.0	-27.52	372.03	8.43	-19.09
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012008255	0	40	0.0	-34.21	365.83	9.20	-25.01
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])SC=N1	REAL300012008256	0	34	0.0	-30.14	328.38	6.46	-23.68
COC1=CC(F)=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008257	0	39	0.0	-31.60	358.59	8.02	-23.58
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=N1	REAL300012008258	0	45	0.0	-33.59	396.45	8.68	-24.91
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=CS1	REAL300012008259	0	35	0.0	-27.69	328.22	8.32	-19.37
CS(=O)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008260	0	40	0.0	-39.36	377.04	7.32	-32.04
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012008261	0	45	0.0	-29.95	387.56	11.22	-18.73
N#CC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008262	0	35	0.0	-32.97	339.49	7.15	-25.82
COC(=O)C1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CN1	REAL300012008263	0	39	0.0	-39.78	366.52	7.16	-32.62
COCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])O1	REAL300012008264	0	39	0.0	-31.02	361.19	6.74	-24.28
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C)=C1OC	REAL300012008265	0	46	0.0	-33.21	395.28	8.51	-24.70
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008266	0	37	0.0	-33.72	336.24	7.30	-26.42
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008267	0	42	0.0	-30.43	374.42	8.76	-21.67
CC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CS1	REAL300012008268	0	35	0.0	-29.78	336.69	8.47	-21.31
CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])N=N1	REAL300012008269	0	36	0.0	-38.43	336.35	6.43	-32.00
CN1N=NC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008270	0	34	0.0	-37.14	319.60	5.09	-32.05
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012008271	0	32	0.0	-30.16	330.61	8.30	-21.86
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012008272	0	48	0.0	-28.95	406.21	11.84	-17.11
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])N(C)N=C1	REAL300012008273	0	38	0.0	-30.54	345.77	6.90	-23.64
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008274	0	38	0.0	-31.04	360.81	9.81	-21.23
COCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008275	0	42	0.0	-31.12	377.74	8.38	-22.74
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012008276	0	42	0.0	-30.17	382.47	10.37	-19.80
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012008277	0	42	0.0	-29.65	372.76	10.79	-18.86
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012008278	0	31	0.0	-31.78	325.39	6.45	-25.33
C=CN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=N1	REAL300012008279	0	36	0.0	-34.70	337.28	7.66	-27.04
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012008280	0	45	0.0	-30.50	389.70	9.17	-21.33
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012008281	0	38	0.0	-32.89	358.99	9.66	-23.23
COC1=CC(C)=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012008282	0	44	0.0	-29.39	381.47	6.32	-23.07
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008283	0	39	0.0	-27.52	367.05	8.50	-19.02
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008284	0	45	0.0	-29.76	384.76	9.21	-20.55
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=NN1C	REAL300012008285	0	38	0.0	-31.22	345.38	6.94	-24.28
CCCN1N=C(C)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1C	REAL300012008286	0	47	0.0	-29.94	410.02	9.13	-20.81
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012008287	0	40	0.0	-34.18	366.86	8.38	-25.80
COCCN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=N1	REAL300012008288	0	42	0.0	-33.08	382.84	6.44	-26.64
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012008289	0	45	0.0	-29.06	388.43	11.24	-17.82
CCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012008290	0	42	0.0	-33.61	382.41	9.03	-24.58
N#CC1=CSC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008291	0	33	0.0	-35.09	334.77	8.21	-26.88
COC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC=C1C#N	REAL300012008292	0	40	0.0	-38.09	373.22	8.40	-29.69
CC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC=C1C#N	REAL300012008293	0	39	0.0	-36.36	364.84	9.62	-26.74
CC1=CN=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008294	0	34	0.0	-31.94	331.56	6.65	-25.29
CC(C)CN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=N1	REAL300012008295	0	44	0.0	-33.09	383.87	8.90	-24.19
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012008296	0	42	0.0	-27.85	362.37	10.55	-17.30
CCC1=CN=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008297	0	37	0.0	-28.16	353.01	7.44	-20.72
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008298	0	44	0.0	-31.92	386.82	8.40	-23.52
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012008299	0	38	0.0	-30.24	361.45	8.31	-21.93
CC(C)C1=NC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008300	0	40	0.0	-29.96	372.51	7.99	-21.97
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012008301	0	38	0.0	-31.94	371.34	7.79	-24.15
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012008302	0	38	0.0	-36.22	362.16	7.68	-28.54
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])N1	REAL300012008303	0	43	0.0	-39.20	381.13	6.84	-32.36
NC(=O)C1=CSC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008304	0	36	0.0	-38.56	349.88	4.55	-34.01
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008305	0	47	0.0	-29.71	409.70	8.95	-20.76
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012008306	0	41	0.0	-30.33	379.42	8.84	-21.49
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008307	0	41	0.0	-25.57	361.68	9.82	-15.75
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012008308	0	35	0.0	-30.08	339.77	6.59	-23.49
CC(C)C1=CN=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008309	0	40	0.0	-31.29	373.00	8.02	-23.27
CC(C)(C)C1=CN=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008310	0	43	0.0	-30.80	389.88	8.48	-22.32
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012008311	0	38	0.0	-30.32	360.31	8.16	-22.16
COCCCN1N=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008312	0	45	0.0	-29.20	384.87	7.69	-21.51
CC1=CC(F)=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(Cl)=C1	REAL300012008313	0	38	0.0	-27.71	364.30	9.78	-17.93
CSCC1=CN=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008314	0	38	0.0	-33.36	376.28	7.88	-25.48
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012008315	0	35	0.0	-31.99	342.37	8.65	-23.34
CCN1N=C(C)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008316	0	40	0.0	-28.91	362.69	6.27	-22.64
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012008317	0	42	0.0	-29.83	372.75	10.78	-19.05
CC1=NN(C)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008318	0	38	0.0	-31.61	347.39	6.89	-24.72
N#CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012008319	0	36	0.0	-37.60	350.26	9.12	-28.48
CC1=CC(F)=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012008320	0	38	0.0	-28.42	354.70	9.37	-19.05
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008321	0	44	0.0	-29.97	380.88	8.29	-21.68
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CN1	REAL300012008322	0	42	0.0	-37.84	382.43	7.75	-30.09
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008323	0	45	0.0	-35.29	401.44	10.68	-24.61
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008324	0	44	0.0	-28.10	374.96	10.41	-17.69
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012008325	0	42	0.0	-29.19	369.46	8.05	-21.14
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012008326	0	41	0.0	-30.95	373.87	8.32	-22.63
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012008327	0	37	0.0	-31.70	346.15	7.48	-24.22
CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(Cl)=C1	REAL300012008328	0	38	0.0	-29.72	358.08	9.83	-19.89
CCC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008329	0	41	0.0	-29.19	366.39	10.11	-19.08
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012008330	0	39	0.0	-34.53	359.92	8.04	-26.49
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012008331	0	42	0.0	-28.81	367.52	10.61	-18.20
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008332	0	39	0.0	-30.00	358.31	8.11	-21.89
CCCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012008333	0	48	0.0	-29.16	407.48	10.20	-18.96
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012008334	0	37	0.0	-31.43	355.67	8.43	-23.00
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012008335	0	39	0.0	-33.66	349.98	7.28	-26.38
CCC1=C2OC(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])=CC2=CC=C1	REAL300012008336	0	44	0.0	-30.17	395.64	10.68	-19.49
C=CCCN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])N=N1	REAL300012008337	0	41	0.0	-38.52	376.04	7.35	-31.17
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012008338	0	42	0.0	-29.66	376.63	8.65	-21.01
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012008339	0	43	0.0	-36.36	389.46	9.68	-26.68
CCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012008340	0	45	0.0	-29.99	387.67	9.47	-20.52
COC1=NC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008341	0	38	0.0	-32.51	349.32	5.46	-27.05
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012008342	0	48	0.0	-29.94	409.09	11.93	-18.01
COCC1=CSC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008343	0	39	0.0	-31.10	369.03	7.51	-23.59
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012008344	0	41	0.0	-30.56	367.05	7.19	-23.37
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012008345	0	35	0.0	-34.53	355.48	8.87	-25.66
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012008346	0	35	0.0	-30.47	345.46	8.04	-22.43
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012008347	0	35	0.0	-25.02	343.35	8.79	-16.23
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012008348	0	35	0.0	-28.53	348.75	9.16	-19.37
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012008349	0	35	0.0	-38.85	341.97	8.89	-29.96
CCCN1N=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008350	0	41	0.0	-29.53	361.74	7.90	-21.63
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008351	0	38	0.0	-32.86	365.50	7.23	-25.63
CCCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008352	0	41	0.0	-27.72	378.63	10.15	-17.57
CC(C)C1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008353	0	44	0.0	-29.06	383.73	10.60	-18.46
CN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(Cl)=N1	REAL300012008354	0	35	0.0	-29.67	344.27	6.94	-22.73
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012008355	0	48	0.0	-28.69	413.73	12.16	-16.53
COC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC=C1Cl	REAL300012008356	0	39	0.0	-33.34	370.36	8.57	-24.77
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012008357	0	45	0.0	-31.46	395.55	9.28	-22.18
CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012008358	0	38	0.0	-32.61	351.84	9.42	-23.19
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008359	0	42	0.0	-37.92	380.92	7.63	-30.29
CN1N=CC2=CC(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])=CN=C21	REAL300012008360	0	40	0.0	-38.03	369.17	7.86	-30.17
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008361	0	45	0.0	-29.95	386.81	8.65	-21.30
CC1=C(C)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CS1	REAL300012008362	0	38	0.0	-28.08	347.26	8.93	-19.15
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012008363	0	34	0.0	-35.14	340.28	7.34	-27.80
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012008364	0	41	0.0	-31.25	367.99	10.81	-20.44
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008365	0	42	0.0	-32.24	382.63	9.02	-23.22
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008366	0	48	0.0	-29.38	403.90	9.81	-19.57
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008367	0	38	0.0	-30.49	352.47	9.68	-20.81
COC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C(F)C=C1C	REAL300012008368	0	42	0.0	-31.77	377.61	8.76	-23.01
CC(C)(C)C1=CSC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008369	0	43	0.0	-31.49	389.12	8.40	-23.09
COCCC1=NC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008370	0	41	0.0	-31.38	385.40	6.46	-24.92
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012008371	1	36	0.0	-31.44	345.79	6.04	-25.40
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012008372	0	43	0.0	-28.50	367.82	8.57	-19.93
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012008373	0	37	0.0	-40.78	351.27	9.24	-31.54
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012008374	0	40	0.0	-31.66	360.94	8.98	-22.68
CCCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012008375	0	48	0.0	-31.05	417.76	10.50	-20.55
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012008376	0	39	0.0	-34.92	360.87	7.13	-27.79
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008377	0	42	0.0	-28.49	378.00	8.95	-19.54
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012008378	0	40	0.0	-38.18	360.83	9.72	-28.46
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008379	0	43	0.0	-35.17	380.06	10.25	-24.92
CC1=COC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008380	0	35	0.0	-29.74	327.51	7.54	-22.20
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012008381	0	34	0.0	-27.94	335.27	7.34	-20.60
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008382	0	42	0.0	-31.98	373.50	10.00	-21.98
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012008384	0	38	0.0	-35.34	355.76	7.53	-27.81
CCCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008386	0	44	0.0	-30.02	389.21	10.95	-19.07
CC1=C2C=C(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])C=NC2=NN1	REAL300012008387	0	40	0.0	-41.86	365.74	7.17	-34.69
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NC=CS1	REAL300012008388	0	31	0.0	-28.17	308.29	5.83	-22.34
CN1N=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012008389	0	41	0.0	-28.97	373.49	8.60	-20.37
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012008390	0	38	0.0	-33.97	351.75	7.33	-26.64
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012008390	1	38	0.0	-29.24	351.95	7.35	-21.89
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008391	0	35	0.0	-29.02	358.33	8.01	-21.01
CCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008392	0	38	0.0	-27.77	357.13	9.37	-18.40
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012008393	0	40	0.0	-27.38	360.34	8.94	-18.44
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012008394	0	41	0.0	-31.87	371.34	9.69	-22.18
CCC1=NC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008395	0	37	0.0	-31.46	353.01	7.43	-24.03
COC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])SC=C1	REAL300012008396	0	36	0.0	-29.95	344.98	7.13	-22.82
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012008397	0	41	0.0	-33.68	379.72	6.92	-26.76
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CSC=C1Cl	REAL300012008398	0	32	0.0	-29.62	327.94	8.09	-21.53
CCCC(C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012008399	0	47	0.0	-28.75	403.35	11.37	-17.38
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1CC2CCC1C2	REAL300012008400	0	42	0.0	-30.54	347.39	9.23	-21.31
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(F)N=C1	REAL300012008401	0	34	0.0	-34.24	324.80	6.84	-27.40
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012008402	0	35	0.0	-30.66	354.41	8.99	-21.67
CC1(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])CCC1	REAL300012008403	0	38	0.0	-29.54	327.40	8.35	-21.19
CC1(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])CC1	REAL300012008404	0	35	0.0	-29.60	311.97	8.04	-21.56
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1(C(F)F)CC1	REAL300012008405	0	35	0.0	-29.10	326.05	8.11	-20.99
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])NN=C1	REAL300012008406	0	35	0.0	-31.01	321.71	5.69	-25.32
CC1=CNN=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008406	1	35	0.0	-32.45	324.31	5.71	-26.74
CC1=CN=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])N1C	REAL300012008407	0	38	0.0	-34.59	343.82	7.53	-27.06
CC(C)C1CCC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])CC1	REAL300012008408	0	50	0.0	-29.32	392.56	10.45	-18.87
CCC1=NOC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008409	0	37	0.0	-33.45	340.91	7.45	-26.00
CN1N=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1Cl	REAL300012008410	0	35	0.0	-30.45	342.17	6.82	-23.63
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012008411	0	37	0.0	-32.86	346.19	6.16	-26.70
CC1=CN=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008412	0	37	0.0	-31.06	334.25	7.47	-23.59
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012008413	0	42	0.0	-33.30	372.71	10.80	-22.50
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012008414	0	41	0.0	-27.54	375.73	9.38	-18.16
CC(C)(C)N1N=NC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008415	1	42	0.0	-32.38	378.23	6.53	-25.85
CC(C)N1C=CN=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008416	0	41	0.0	-33.29	365.68	8.54	-24.75
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008417	0	38	0.0	-26.91	360.21	7.25	-19.66
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008418	0	42	0.0	-31.29	375.54	8.37	-22.92
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008419	0	45	0.0	-28.98	389.66	8.80	-20.18
CC1=NC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])N1C	REAL300012008420	0	38	0.0	-34.16	344.54	7.65	-26.51
CC1=C2C=C(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])NC2=CC=C1	REAL300012008421	0	42	0.0	-31.47	376.38	9.27	-22.20
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012008422	0	41	0.0	-30.17	374.79	7.82	-22.35
CC1=CC=C2C=C(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])NC2=C1	REAL300012008423	0	42	0.0	-31.38	376.80	9.28	-22.10
CC1=NC=CN=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008424	0	36	0.0	-33.02	330.51	5.49	-27.53
CCOC1=CN=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008425	0	41	0.0	-33.25	371.15	7.13	-26.12
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012008426	0	34	0.0	-27.00	330.75	7.40	-19.60
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012008427	0	46	0.0	-32.81	400.51	7.34	-25.47
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012008428	0	38	0.0	-33.11	350.98	7.42	-25.69
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008429	0	43	0.0	-34.57	364.37	9.11	-25.46
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=NC(F)=C1	REAL300012008430	0	34	0.0	-36.61	324.81	6.86	-29.75
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012008431	0	39	0.0	-32.62	356.19	8.74	-23.88
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012008432	0	38	0.0	-40.08	356.15	6.17	-33.91
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012008433	0	37	0.0	-33.71	352.96	7.76	-25.95
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008434	0	44	0.0	-32.71	396.67	9.10	-23.61
COC1=CN=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1C	REAL300012008435	0	41	0.0	-30.64	362.01	6.85	-23.79
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012008436	0	48	0.0	-32.70	414.88	11.85	-20.85
CCCN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])N=N1	REAL300012008437	0	40	0.0	-39.31	364.55	6.83	-32.48
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008438	0	43	0.0	-29.20	382.95	8.82	-20.38
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012008439	0	39	0.0	-28.79	356.23	9.37	-19.42
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012008440	0	40	0.0	-35.59	370.09	9.09	-26.50
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012008441	0	48	0.0	-32.79	410.47	11.71	-21.08
CC1=NSC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008442	0	34	0.0	-34.30	331.38	7.13	-27.17
CCN1N=CN=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008443	0	37	0.0	-34.03	338.21	7.89	-26.14
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012008444	0	38	0.0	-30.50	352.26	5.98	-24.52
CCC1=CNC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008445	0	38	0.0	-29.18	346.32	6.75	-22.43
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012008446	0	44	0.0	-26.41	377.82	9.23	-17.18
CC1=NN(C)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1Cl	REAL300012008447	0	38	0.0	-28.03	363.95	7.37	-20.66
CN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012008448	0	48	0.0	-29.88	411.42	9.57	-20.31
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012008449	0	43	0.0	-30.65	376.37	9.28	-21.37
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008450	0	45	0.0	-35.31	395.67	8.54	-26.77
CCC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(Cl)=NN1	REAL300012008451	0	38	0.0	-27.00	358.09	6.94	-20.06
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012008452	0	39	0.0	-27.46	371.19	7.69	-19.77
CCC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C)=NO1	REAL300012008453	0	40	0.0	-32.28	363.59	8.31	-23.97
CCN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])N=N1	REAL300012008454	0	37	0.0	-39.22	341.73	6.03	-33.19
CC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012008455	0	47	0.0	-30.65	397.41	9.91	-20.74
CCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])O1	REAL300012008456	0	39	0.0	-29.84	360.48	8.24	-21.60
CCN1C=NC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008457	0	38	0.0	-35.01	348.71	8.89	-26.12
CC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CN=C1F	REAL300012008458	0	37	0.0	-33.73	344.32	7.43	-26.30
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008459	0	37	0.0	-32.40	338.27	7.42	-24.98
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012008460	0	38	0.0	-35.18	362.94	9.66	-25.52
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012008461	0	44	0.0	-34.69	395.67	9.92	-24.77
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012008462	0	42	0.0	-30.16	365.80	8.54	-21.62
CC1CC2=CC(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])=CC=C2O1	REAL300012008463	0	43	0.0	-31.65	379.56	9.23	-22.42
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012008464	0	38	0.0	-42.24	355.30	6.18	-36.06
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012008465	0	40	0.0	-31.86	359.29	8.52	-23.34
CSCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008466	0	42	0.0	-31.94	390.95	10.61	-21.33
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012008467	0	45	0.0	-31.78	397.06	9.47	-22.31
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008468	0	43	0.0	-31.78	380.15	6.32	-25.46
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008469	0	42	0.0	-30.96	371.58	8.20	-22.76
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012008470	0	42	0.0	-31.11	373.64	8.51	-22.60
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012008471	0	42	0.0	-33.66	372.99	8.51	-25.15
COC1=CC=C(C)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008472	0	42	0.0	-28.79	365.82	8.54	-20.25
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])=C21	REAL300012008473	0	41	0.0	-31.24	360.09	9.82	-21.42
CCC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008474	0	41	0.0	-28.00	355.34	9.93	-18.07
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008475	0	45	0.0	-37.33	396.43	8.57	-28.76
CC1=CC(F)=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008476	0	38	0.0	-32.88	352.64	9.46	-23.42
CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C)=C1C	REAL300012008477	0	44	0.0	-28.12	371.07	10.35	-17.77
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008478	0	45	0.0	-35.93	400.63	7.77	-28.16
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008479	0	47	0.0	-24.96	375.51	11.07	-13.89
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012008480	0	45	0.0	-32.37	379.56	9.07	-23.30
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012008481	0	38	0.0	-31.79	352.91	8.33	-23.46
CCN1CCC2=CC(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012008482	0	47	0.0	-30.90	397.31	8.86	-22.04
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=NN1C(C)C	REAL300012008483	0	44	0.0	-29.94	386.12	8.45	-21.49
CC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012008484	0	45	0.0	-30.07	391.86	11.34	-18.73
CCOC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC=N1	REAL300012008485	0	41	0.0	-34.27	372.45	6.32	-27.95
CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1C1CC1	REAL300012008486	0	45	0.0	-30.16	391.26	11.35	-18.81
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])O1	REAL300012008487	0	36	0.0	-30.18	338.62	7.30	-22.88
COCCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])O1	REAL300012008488	0	43	0.0	-31.91	394.10	7.47	-24.44
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008489	0	47	0.0	-32.03	407.22	9.01	-23.02
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012008490	0	38	0.0	-30.00	354.54	7.40	-22.60
CCN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012008491	0	41	0.0	-32.64	366.84	7.92	-24.72
CN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012008492	0	42	0.0	-33.21	379.51	8.70	-24.51
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008493	0	42	0.0	-32.44	375.87	8.34	-24.10
CC(C)C1=NOC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008494	0	40	0.0	-33.97	363.09	8.01	-25.96
COC1=NC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1F	REAL300012008495	0	38	0.0	-29.87	356.18	5.44	-24.43
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012008496	0	35	0.0	-34.58	340.93	8.65	-25.93
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012008497	0	47	0.0	-27.82	405.41	10.20	-17.62
CC1=C(C)SC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008498	0	37	0.0	-27.85	348.99	7.13	-20.72
CC1OC2=CC=C(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])C=C2C1C	REAL300012008499	0	46	0.0	-32.42	398.24	9.83	-22.59
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CSN=C1	REAL300012008500	0	31	0.0	-33.86	309.33	6.37	-27.49
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008501	0	47	0.0	-26.38	388.17	10.97	-15.41
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012008502	0	38	0.0	-33.84	360.91	6.54	-27.30
CC(C)CN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])N=N1	REAL300012008503	0	43	0.0	-39.08	380.24	7.47	-31.61
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012008504	0	38	0.0	-32.20	359.38	7.91	-24.29
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012008505	0	35	0.0	-35.96	345.92	6.06	-29.90
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012008506	0	40	0.0	-31.22	360.68	8.57	-22.65
CN1C=C(Cl)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008507	0	35	0.0	-30.07	344.31	6.93	-23.14
CSC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008508	0	39	0.0	-29.56	363.72	9.70	-19.86
CC(C)C1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])N(C)N=C1	REAL300012008509	0	44	0.0	-29.49	387.03	8.20	-21.29
CC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC(C)=N1	REAL300012008510	0	40	0.0	-32.65	362.93	8.18	-24.47
CCCN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012008511	0	44	0.0	-32.35	388.34	8.68	-23.67
CCN1C=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008512	0	38	0.0	-29.75	349.27	7.30	-22.45
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012008513	0	37	0.0	-33.99	347.49	7.44	-26.55
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012008515	0	42	0.0	-30.59	390.03	10.97	-19.62
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012008516	0	43	0.0	-31.94	385.40	9.70	-22.24
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008517	0	42	0.0	-35.15	381.31	7.00	-28.15
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008519	0	45	0.0	-34.15	401.47	7.80	-26.35
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012008520	0	41	0.0	-33.54	379.52	9.94	-23.60
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012008521	0	42	0.0	-32.27	370.65	7.59	-24.68
CCCN1C=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008522	0	41	0.0	-28.98	369.44	8.02	-20.96
CC(C)N1C=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008523	0	41	0.0	-29.15	367.96	7.82	-21.33
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008524	0	46	0.0	-31.63	394.94	9.18	-22.45
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012008525	0	38	0.0	-33.62	367.15	7.79	-25.83
CN1C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=NC2=C1CCCC2	REAL300012008526	0	45	0.0	-28.10	387.55	9.40	-18.70
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008527	0	38	0.0	-34.59	367.50	5.92	-28.67
CN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012008528	0	38	0.0	-36.91	360.95	7.49	-29.42
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012008529	0	38	0.0	-38.99	363.45	9.65	-29.34
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012008530	0	43	0.0	-31.37	371.01	8.72	-22.65
COC1=NN(C)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008531	0	39	0.0	-36.72	360.58	4.46	-32.26
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012008532	0	39	0.0	-29.12	364.24	6.05	-23.07
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012008533	0	42	0.0	-29.18	369.14	9.55	-19.63
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012008534	0	37	0.0	-35.89	357.29	9.39	-26.50
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012008535	0	48	0.0	-32.15	407.32	9.70	-22.45
CN(CCO)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=N1	REAL300012008537	0	46	0.0	-32.33	403.11	6.25	-26.08
COC1=CC(C)=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=N1	REAL300012008538	0	41	0.0	-30.53	362.21	5.89	-24.64
COC1=CC(C)=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1O	REAL300012008539	0	43	0.0	-31.32	374.85	6.30	-25.02
COC1=NC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC=C1C	REAL300012008540	0	41	0.0	-27.97	370.85	6.07	-21.90
CCCN1C=NC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008541	0	41	0.0	-30.35	358.87	9.42	-20.93
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CNC1=O	REAL300012008542	0	35	0.0	-31.94	327.16	5.60	-26.34
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012008543	0	42	0.0	-38.22	380.64	8.64	-29.58
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012008544	0	48	0.0	-28.99	413.75	12.17	-16.82
CCC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=NN1CC	REAL300012008545	0	44	0.0	-29.31	384.23	8.65	-20.66
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012008546	0	35	0.0	-29.90	351.66	9.28	-20.62
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012008547	0	39	0.0	-32.91	356.43	7.18	-25.73
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012008548	0	39	0.0	-35.85	368.57	8.26	-27.59
COC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=CS1	REAL300012008549	0	36	0.0	-29.82	345.08	7.11	-22.71
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012008550	0	38	0.0	-32.53	362.01	8.43	-24.10
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008551	0	41	0.0	-31.02	378.04	10.25	-20.77
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=N1	REAL300012008552	0	42	0.0	-31.89	381.13	6.24	-25.65
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])S1	REAL300012008553	0	41	0.0	-35.24	390.18	8.01	-27.23
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012008554	0	35	0.0	-28.79	340.79	8.86	-19.93
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008555	0	44	0.0	-32.13	385.51	7.51	-24.62
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008556	0	42	0.0	-28.73	368.98	10.51	-18.22
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012008557	0	39	0.0	-32.59	355.87	10.02	-22.57
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012008558	0	38	0.0	-32.68	349.99	6.70	-25.98
COCC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008559	0	42	0.0	-28.94	368.52	8.50	-20.44
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012008560	0	43	0.0	-31.76	378.54	8.81	-22.95
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012008561	0	39	0.0	-33.87	360.59	4.04	-29.83
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012008562	0	41	0.0	-36.81	379.48	6.89	-29.92
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012008563	0	38	0.0	-36.06	350.88	8.25	-27.81
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008564	0	42	0.0	-33.09	378.67	6.92	-26.17
C=CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008565	0	39	0.0	-29.67	353.79	9.74	-19.93
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008566	0	41	0.0	-33.87	364.07	10.20	-23.67
CCN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012008567	0	45	0.0	-32.89	401.05	9.57	-23.32
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008568	0	43	0.0	-36.13	371.19	8.44	-27.69
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012008569	0	40	0.0	-34.02	364.54	9.16	-24.86
CC1=CC2=CC=CC(C[NH2+]C(CC3=CC(Cl)=NC(Cl)=C3)C(=O)[O-])=C2O1	REAL300012008570	0	41	0.0	-32.94	372.77	9.83	-23.11
COC1=CSC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1OC	REAL300012008571	0	40	0.0	-31.17	377.63	6.77	-24.40
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012008572	0	41	0.0	-33.73	369.56	8.80	-24.93
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008573	0	38	0.0	-41.40	368.69	4.31	-37.09
CCN1C=C(Cl)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008574	0	38	0.0	-30.49	364.48	7.74	-22.75
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012008575	0	35	0.0	-37.19	351.42	9.32	-27.87
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012008576	0	38	0.0	-31.47	358.99	9.66	-21.81
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012008577	0	41	0.0	-33.82	375.38	10.98	-22.84
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012008578	0	32	0.0	-31.91	330.56	8.24	-23.67
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012008579	0	45	0.0	-30.55	393.81	9.15	-21.40
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008580	0	48	0.0	-31.00	412.96	9.80	-21.20
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012008581	0	38	0.0	-31.78	357.49	7.38	-24.40
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012008582	0	34	0.0	-29.86	339.34	7.34	-22.52
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008583	0	42	0.0	-29.11	378.66	6.82	-22.29
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012008584	0	42	0.0	-28.37	371.77	8.37	-20.00
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012008585	0	38	0.0	-32.02	359.79	7.58	-24.44
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012008586	0	39	0.0	-32.51	370.78	8.16	-24.35
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012008587	0	46	0.0	-31.93	398.09	7.29	-24.64
CC1=CN(C)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008588	0	38	0.0	-27.94	345.12	7.64	-20.30
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012008589	0	45	0.0	-27.98	389.31	9.04	-18.94
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012008590	0	34	0.0	-28.13	349.35	7.76	-20.37
CC1=NSC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008591	0	34	0.0	-31.80	323.37	6.89	-24.91
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008592	0	48	0.0	-29.69	408.85	9.72	-19.97
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012008593	0	38	0.0	-35.31	347.89	9.68	-25.63
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012008594	0	38	0.0	-35.74	351.08	7.43	-28.31
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012008595	0	35	0.0	-37.06	350.54	9.29	-27.77
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008596	0	38	0.0	-30.83	341.33	9.18	-21.65
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008597	0	40	0.0	-37.02	374.62	8.54	-28.48
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008598	0	37	0.0	-33.21	348.39	7.85	-25.36
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008599	0	39	0.0	-31.00	368.91	8.46	-22.54
COC1=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=CC(F)=C1F	REAL300012008600	0	39	0.0	-35.21	364.69	8.08	-27.13
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008601	0	41	0.0	-31.16	368.75	6.88	-24.28
CC(C)N1C=NC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008602	0	41	0.0	-33.83	367.01	9.24	-24.59
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008603	0	42	0.0	-36.78	385.92	6.34	-30.44
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012008604	0	41	0.0	-32.54	374.09	9.13	-23.41
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])O1	REAL300012008605	0	42	0.0	-29.73	380.78	8.95	-20.78
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008606	0	36	0.0	-36.91	350.81	9.14	-27.77
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008607	0	43	0.0	-33.09	384.24	9.37	-23.72
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008608	0	45	0.0	-31.79	390.62	9.03	-22.76
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012008609	0	41	0.0	-32.59	377.65	8.09	-24.50
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008610	0	42	0.0	-36.49	388.17	7.98	-28.51
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012008611	0	41	0.0	-31.43	363.32	5.82	-25.61
CCN(C)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012008612	0	49	0.0	-28.30	409.59	10.60	-17.70
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=NS1	REAL300012008613	0	34	0.0	-30.42	324.33	7.05	-23.37
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008614	0	46	0.0	-27.53	401.25	8.06	-19.47
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=NO1	REAL300012008615	0	34	0.0	-31.54	320.08	6.97	-24.57
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012008616	0	38	0.0	-31.54	350.65	9.47	-22.07
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012008617	0	38	0.0	-31.12	359.59	10.02	-21.10
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC=C1CO	REAL300012008618	0	39	0.0	-30.06	348.51	6.17	-23.89
CC1=NSC(C)=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008619	0	37	0.0	-30.00	343.77	7.46	-22.54
CC(C)(C)C1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=NO1	REAL300012008620	0	43	0.0	-28.17	364.53	8.59	-19.58
C=CCN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=N1	REAL300012008621	0	39	0.0	-34.84	361.98	7.94	-26.90
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012008622	0	38	0.0	-34.46	351.08	7.43	-27.03
CCC(C)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=C1	REAL300012008623	0	47	0.0	-29.84	403.50	11.32	-18.52
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=N1	REAL300012008624	0	40	0.0	-29.36	372.65	8.62	-20.74
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012008625	0	45	0.0	-27.60	378.85	11.05	-16.55
O=C([O-])C(CC1=CC(Cl)=NC(Cl)=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012008626	0	41	0.0	-39.08	377.20	8.64	-30.44
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012008627	0	44	0.0	-29.45	378.34	11.37	-18.08
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008628	0	43	0.0	-30.62	384.42	8.10	-22.52
CC1=NC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C(C)S1	REAL300012008629	0	37	0.0	-32.26	350.33	7.13	-25.13
CCCN1N=CC(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1C	REAL300012008630	0	44	0.0	-30.17	387.87	8.53	-21.64
CC1=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012008631	0	43	0.0	-26.21	377.19	9.70	-16.51
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])=C1	REAL300012008632	0	42	0.0	-39.23	385.46	8.80	-30.43
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CC(Cl)=NC(Cl)=C1)C(=O)[O-]	REAL300012008633	0	44	0.0	-29.14	382.38	8.44	-20.70
CN1C=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012008634	0	45	0.0	-32.00	393.10	9.03	-22.97
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC(Cl)=NC(Cl)=C2)C(=O)[O-])O1	REAL300012008635	0	43	0.0	-30.09	382.74	6.17	-23.92
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=C1	REAL300012008636	0	41	0.0	-27.20	332.31	9.20	-18.00
CC1=CC=C(C)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008637	0	41	0.0	-26.69	328.68	8.99	-17.70
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012008638	0	40	0.0	-33.15	338.57	8.22	-24.93
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012008639	0	47	0.0	-28.42	372.30	10.21	-18.21
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012008640	0	42	0.0	-28.50	353.93	7.72	-20.78
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012008641	0	32	0.0	-28.46	299.85	6.74	-21.72
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008642	0	45	0.0	-31.10	374.58	9.69	-21.41
N#CCCN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012008643	0	49	0.0	-37.06	418.20	10.36	-26.70
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012008644	0	43	0.0	-33.72	365.95	7.34	-26.38
CCOC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1OC	REAL300012008645	0	46	0.0	-33.09	376.73	7.94	-25.15
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012008646	0	49	0.0	-26.56	405.82	11.20	-15.36
CCCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012008647	0	51	0.0	-29.39	411.12	10.45	-18.94
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012008648	0	44	0.0	-35.03	384.53	10.39	-24.64
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012008649	0	44	0.0	-34.25	384.55	10.38	-23.87
CC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1C	REAL300012008650	0	41	0.0	-26.87	324.93	8.88	-17.99
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1C	REAL300012008651	0	41	0.0	-29.10	335.86	9.07	-20.03
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1Br	REAL300012008652	0	39	0.0	-34.01	347.37	7.83	-26.18
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008653	0	45	0.0	-25.90	365.16	8.83	-17.07
CCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC	REAL300012008654	0	52	0.0	-32.93	419.73	9.52	-23.41
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC	REAL300012008655	0	49	0.0	-32.88	398.22	8.74	-24.14
C=CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC	REAL300012008656	0	47	0.0	-33.25	389.63	8.52	-24.73
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012008657	0	42	0.0	-29.68	374.42	10.27	-19.41
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012008658	0	42	0.0	-34.13	372.41	10.31	-23.82
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012008659	0	42	0.0	-31.13	379.83	11.16	-19.97
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012008660	0	45	0.0	-34.76	380.36	9.49	-25.27
CCC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012008661	0	44	0.0	-26.12	360.38	9.81	-16.31
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012008662	0	44	0.0	-42.80	381.76	11.12	-31.68
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012008663	0	41	0.0	-32.63	366.53	8.72	-23.91
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012008664	0	39	0.0	-32.16	342.02	7.73	-24.43
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012008665	0	39	0.0	-30.70	353.84	9.33	-21.37
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012008666	0	42	0.0	-27.92	356.46	5.57	-22.35
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(Cl)=C1	REAL300012008667	0	39	0.0	-31.04	338.70	7.58	-23.46
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012008668	0	39	0.0	-31.08	343.44	7.66	-23.42
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012008669	0	42	0.0	-32.09	356.02	7.63	-24.46
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012008670	0	45	0.0	-27.50	374.03	8.37	-19.13
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012008671	0	39	0.0	-26.89	337.53	6.93	-19.96
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012008672	0	46	0.0	-34.17	382.33	6.98	-27.19
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012008673	0	38	0.0	-29.54	333.83	9.23	-20.31
CCOC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012008674	0	54	0.0	-27.61	434.35	8.51	-19.10
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012008675	0	41	0.0	-31.62	343.49	8.43	-23.19
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])O2)C=C1	REAL300012008676	0	45	0.0	-29.20	379.09	10.43	-18.77
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])O1	REAL300012008677	0	42	0.0	-26.49	346.82	6.75	-19.74
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012008678	0	41	0.0	-29.32	347.46	5.89	-23.43
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012008679	0	48	0.0	-34.53	394.34	6.72	-27.81
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012008680	0	50	0.0	-31.56	403.59	8.47	-23.09
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012008681	0	32	0.0	-31.35	304.69	7.66	-23.69
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012008682	0	42	0.0	-31.60	369.52	10.71	-20.89
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012008683	0	40	0.0	-25.71	335.05	8.39	-17.32
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012008684	0	48	0.0	-28.76	395.22	9.35	-19.41
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008685	0	44	0.0	-34.07	368.32	6.93	-27.14
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012008686	0	42	0.0	-34.02	355.78	9.15	-24.87
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012008687	0	41	0.0	-35.84	350.72	10.46	-25.38
CC(C)N1N=CC2=CC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=C(Cl)N=C21	REAL300012008688	0	46	0.0	-29.19	396.26	8.97	-20.22
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012008689	0	42	0.0	-32.00	379.94	11.16	-20.84
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012008690	0	42	0.0	-33.23	372.33	10.82	-22.41
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012008691	0	35	0.0	-28.30	309.42	8.02	-20.28
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012008692	0	38	0.0	-26.95	346.71	9.30	-17.65
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012008693	0	35	0.0	-30.24	313.01	8.27	-21.97
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012008694	0	35	0.0	-34.32	320.04	8.42	-25.90
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012008695	0	38	0.0	-36.61	341.77	8.92	-27.69
CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008696	0	42	0.0	-29.25	348.78	8.17	-21.08
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1F	REAL300012008697	0	38	0.0	-29.97	324.17	8.57	-21.40
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012008698	0	35	0.0	-25.35	324.72	8.82	-16.53
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012008699	0	38	0.0	-35.23	332.42	9.00	-26.23
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012008700	0	35	0.0	-35.58	316.45	8.05	-27.53
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012008701	0	38	0.0	-32.32	342.56	9.00	-23.32
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012008702	0	38	0.0	-29.17	340.69	8.91	-20.26
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(Cl)=C1OC	REAL300012008703	0	43	0.0	-34.08	371.04	7.63	-26.45
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012008704	0	38	0.0	-31.81	334.81	9.48	-22.33
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012008705	0	35	0.0	-34.45	320.04	8.43	-26.02
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012008706	0	39	0.0	-29.31	350.75	7.98	-21.33
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012008707	0	42	0.0	-32.19	379.85	11.15	-21.04
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012008708	0	45	0.0	-31.61	379.98	6.38	-25.23
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012008709	0	34	0.0	-31.79	300.11	6.41	-25.38
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012008710	0	48	0.0	-32.81	401.41	9.38	-23.43
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008711	0	44	0.0	-28.90	360.48	7.49	-21.41
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008712	0	44	0.0	-26.92	377.55	7.81	-19.11
COCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008713	0	46	0.0	-33.80	381.11	7.32	-26.48
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1Cl	REAL300012008714	0	39	0.0	-34.08	342.98	7.71	-26.37
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012008715	0	40	0.0	-38.70	357.68	6.86	-31.84
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008716	0	47	0.0	-27.07	378.56	9.52	-17.55
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=N1	REAL300012008717	0	51	0.0	-35.03	414.24	7.75	-27.28
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012008718	0	42	0.0	-31.63	368.35	8.63	-23.00
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012008719	0	41	0.0	-31.62	340.37	7.07	-24.55
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012008720	0	44	0.0	-26.38	356.88	7.86	-18.52
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008721	0	47	0.0	-33.22	382.84	9.98	-23.24
CCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008722	0	45	0.0	-31.74	370.30	8.89	-22.85
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012008723	0	42	0.0	-30.81	363.49	10.51	-20.30
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012008724	0	49	0.0	-28.44	390.19	10.09	-18.35
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008725	0	45	0.0	-31.42	365.41	8.67	-22.75
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012008726	0	48	0.0	-28.06	398.21	9.80	-18.26
CC1=CC=C(C2=NC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CS2)C=C1	REAL300012008727	0	44	0.0	-33.27	383.68	9.41	-23.86
CC(C)C1=NC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CS1	REAL300012008728	0	40	0.0	-26.60	345.21	6.89	-19.71
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012008729	0	49	0.0	-30.99	412.41	11.39	-19.60
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012008730	0	45	0.0	-34.04	391.71	8.17	-25.87
CC(C)(C)C1=NC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CS1	REAL300012008731	0	43	0.0	-31.81	364.13	7.48	-24.33
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012008732	0	38	0.0	-31.98	351.15	7.59	-24.39
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012008733	0	42	0.0	-33.09	369.52	10.71	-22.38
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008734	0	49	0.0	-32.41	403.42	8.79	-23.62
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012008735	0	49	0.0	-29.32	389.83	10.09	-19.23
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])S2)C=C1	REAL300012008736	0	45	0.0	-30.73	384.51	11.32	-19.41
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012008737	0	41	0.0	-32.90	362.23	8.13	-24.77
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008738	0	39	0.0	-27.93	358.36	8.26	-19.67
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012008739	0	35	0.0	-25.27	329.28	8.92	-16.35
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012008740	0	35	0.0	-24.68	328.30	8.92	-15.76
CCOC1=C(OC)C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC	REAL300012008741	0	50	0.0	-34.49	411.21	7.92	-26.57
COCCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008742	0	49	0.0	-30.35	402.63	8.00	-22.35
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CN=C1Cl	REAL300012008743	0	37	0.0	-34.38	327.95	7.09	-27.29
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008744	0	43	0.0	-30.26	364.81	6.78	-23.48
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012008745	0	39	0.0	-27.77	346.44	7.81	-19.96
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012008746	0	48	0.0	-34.16	400.60	9.57	-24.59
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])S2)C=C1	REAL300012008747	0	44	0.0	-30.02	382.53	9.52	-20.50
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012008748	0	40	0.0	-29.89	352.60	8.87	-21.02
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012008749	0	40	0.0	-26.98	342.83	8.50	-18.48
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012008750	0	40	0.0	-31.06	343.61	8.47	-22.59
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012008751	0	40	0.0	-26.56	351.68	8.88	-17.68
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012008752	0	42	0.0	-35.53	372.16	10.00	-25.53
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])O1	REAL300012008753	0	45	0.0	-32.47	382.47	10.50	-21.97
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])O2)C=C1	REAL300012008754	0	48	0.0	-28.55	399.25	11.15	-17.40
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(OC(F)F)=C1	REAL300012008755	0	43	0.0	-32.77	363.49	6.76	-26.01
COC1=CC=C2OC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CC2=C1	REAL300012008756	0	42	0.0	-30.62	353.48	7.63	-22.99
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012008757	0	39	0.0	-33.74	345.21	9.68	-24.06
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012008758	0	41	0.0	-31.58	346.37	9.10	-22.48
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012008759	0	38	0.0	-32.47	325.36	8.23	-24.24
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012008760	0	43	0.0	-33.83	364.19	9.70	-24.13
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1Br	REAL300012008761	0	38	0.0	-29.22	336.94	9.05	-20.17
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012008762	0	39	0.0	-36.95	339.09	9.22	-27.73
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1Br	REAL300012008763	0	38	0.0	-30.65	336.95	9.05	-21.60
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012008764	0	42	0.0	-34.08	354.15	8.98	-25.10
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012008765	0	32	0.0	-27.70	299.43	7.41	-20.29
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012008766	0	40	0.0	-26.63	347.77	8.21	-18.42
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012008767	0	39	0.0	-31.22	334.52	7.84	-23.38
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012008768	0	39	0.0	-31.80	334.42	7.83	-23.97
CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=N1	REAL300012008769	0	41	0.0	-33.69	346.45	5.53	-28.16
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012008770	0	43	0.0	-32.25	357.37	9.02	-23.23
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1Cl	REAL300012008771	0	38	0.0	-30.71	332.92	8.96	-21.75
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012008772	0	37	0.0	-32.62	328.00	7.30	-25.32
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])O2)C=C1	REAL300012008773	0	54	0.0	-28.82	433.80	12.07	-16.75
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008774	0	55	0.0	-26.82	427.47	10.86	-15.96
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008775	0	55	0.0	-26.90	437.88	10.92	-15.98
CCCC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008776	0	44	0.0	-29.33	361.83	10.08	-19.25
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012008777	0	53	0.0	-31.19	432.25	12.71	-18.48
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1F	REAL300012008778	0	49	0.0	-33.19	396.59	8.99	-24.20
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C(SC)C=C1OC	REAL300012008779	0	47	0.0	-28.49	391.73	8.07	-20.42
COC1=CC=C2N=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])SC2=C1	REAL300012008780	0	41	0.0	-32.28	359.06	6.69	-25.59
CN1C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=NC2=CC=C(Cl)C=C21	REAL300012008781	0	41	0.0	-34.72	359.22	8.68	-26.04
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1C#N	REAL300012008782	0	40	0.0	-40.22	347.16	7.58	-32.64
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012008783	0	39	0.0	-31.67	345.09	9.13	-22.54
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008784	0	41	0.0	-27.06	342.09	9.27	-17.79
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012008785	0	39	0.0	-35.13	342.93	7.51	-27.62
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])N=C1	REAL300012008786	0	41	0.0	-27.43	342.53	6.19	-21.24
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008787	0	41	0.0	-30.06	351.28	9.58	-20.48
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012008788	0	43	0.0	-32.37	376.13	7.78	-24.59
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OCC(C)C	REAL300012008789	0	52	0.0	-32.24	419.65	9.46	-22.78
CCCOC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1OC	REAL300012008790	0	49	0.0	-33.35	399.54	8.78	-24.57
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Br)S1	REAL300012008791	0	32	0.0	-30.42	307.17	7.70	-22.72
CCOC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012008792	0	46	0.0	-34.51	398.01	8.62	-25.89
C=CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008793	0	43	0.0	-29.36	361.68	8.75	-20.61
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1OC(C)C	REAL300012008794	0	49	0.0	-25.15	391.15	8.67	-16.48
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC	REAL300012008795	0	46	0.0	-31.65	396.66	8.69	-22.96
CCCOC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=CC=C1OCC	REAL300012008796	0	52	0.0	-26.31	421.44	9.85	-16.46
CCCCOC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1OC	REAL300012008797	0	52	0.0	-31.89	419.72	9.52	-22.37
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC(F)F	REAL300012008798	0	43	0.0	-31.15	364.63	7.31	-23.84
CCOC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012008799	0	46	0.0	-33.49	387.81	8.26	-25.23
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012008800	0	45	0.0	-32.43	376.00	8.92	-23.51
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-])OC(C)C2	REAL300012008801	0	50	0.0	-28.01	402.29	8.75	-19.26
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012008802	0	45	0.0	-33.10	369.82	6.85	-26.25
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012008803	0	44	0.0	-33.10	391.93	9.29	-23.81
CCCCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1Cl	REAL300012008804	0	47	0.0	-28.59	399.08	8.87	-19.72
CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1OC(F)F	REAL300012008805	0	46	0.0	-28.02	384.12	8.34	-19.68
CC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1C	REAL300012008806	0	44	0.0	-26.84	348.54	9.69	-17.15
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012008807	0	42	0.0	-30.76	363.12	10.64	-20.12
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC	REAL300012008808	0	49	0.0	-31.48	418.16	9.49	-21.99
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012008809	0	42	0.0	-39.80	372.37	10.01	-29.79
CC(C)(C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012008810	0	44	0.0	-30.67	345.49	9.65	-21.02
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012008811	0	51	0.0	-28.47	402.11	9.39	-19.08
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008812	0	47	0.0	-31.48	375.12	10.78	-20.70
CCC1CCCC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C1	REAL300012008813	0	47	0.0	-31.43	348.73	9.15	-22.28
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-])=N2	REAL300012008814	0	47	0.0	-30.70	381.73	8.51	-22.19
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008815	0	41	0.0	-24.73	345.92	9.46	-15.27
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CC2=C1	REAL300012008816	0	44	0.0	-33.71	363.60	9.67	-24.04
CCCC1CCC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])CC1	REAL300012008817	0	50	0.0	-29.30	377.70	10.18	-19.12
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012008818	0	42	0.0	-32.27	369.59	8.20	-24.07
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012008819	0	42	0.0	-35.98	353.38	10.32	-25.66
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012008820	0	42	0.0	-35.77	363.94	9.87	-25.90
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012008821	0	41	0.0	-33.39	357.92	7.55	-25.84
CCCCC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012008822	0	50	0.0	-25.80	403.38	11.36	-14.44
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012008823	0	48	0.0	-36.81	402.18	12.52	-24.29
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008824	0	48	0.0	-33.09	399.18	10.08	-23.01
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012008825	0	44	0.0	-34.40	376.33	8.34	-26.06
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008826	0	42	0.0	-28.91	345.68	7.85	-21.06
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1F	REAL300012008827	0	39	0.0	-35.74	333.17	7.23	-28.51
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012008828	0	44	0.0	-33.33	348.82	8.88	-24.45
CC(C)C1CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])CCO1	REAL300012008829	0	48	0.0	-33.68	368.53	7.99	-25.69
CC1(C)CCC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])CC1	REAL300012008830	0	47	0.0	-29.47	351.10	9.05	-20.42
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012008831	0	42	0.0	-38.71	373.28	8.59	-30.12
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012008832	0	41	0.0	-31.91	372.57	8.42	-23.49
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012008833	0	41	0.0	-30.27	371.62	8.22	-22.05
CCSC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008834	0	42	0.0	-28.28	357.78	9.75	-18.53
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012008835	1	36	0.0	-27.75	328.61	5.60	-22.15
COC1(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])CCCCC1	REAL300012008836	0	45	0.0	-25.87	339.14	7.24	-18.63
CCN1N=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012008837	0	44	0.0	-31.98	369.20	8.65	-23.33
COCCC1(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])CCCCC1	REAL300012008838	0	51	0.0	-29.58	375.80	8.08	-21.50
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012008839	0	32	0.0	-29.85	322.99	8.17	-21.68
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012008840	0	45	0.0	-30.42	370.27	8.97	-21.45
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012008841	0	38	0.0	-32.87	323.15	8.39	-24.48
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012008842	0	42	0.0	-28.84	356.38	9.71	-19.13
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012008843	0	49	0.0	-32.89	394.65	8.56	-24.33
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OCC	REAL300012008844	0	52	0.0	-31.85	420.08	9.66	-22.19
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012008845	0	40	0.0	-39.62	340.34	9.02	-30.60
CC(C)OC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012008846	0	45	0.0	-31.01	366.71	8.79	-22.22
CCCCCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012008847	0	57	0.0	-29.35	454.11	12.01	-17.34
CC(C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012008848	0	56	0.0	-31.32	430.37	12.23	-19.09
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1F	REAL300012008849	0	38	0.0	-30.94	322.85	8.52	-22.42
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012008850	0	39	0.0	-29.43	328.79	7.93	-21.50
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Br)C=CS1	REAL300012008851	0	32	0.0	-27.16	305.59	7.46	-19.70
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012008852	0	48	0.0	-28.67	380.58	7.40	-21.27
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012008853	0	35	0.0	-26.15	320.13	8.54	-17.61
CC(C)CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012008854	0	47	0.0	-28.05	376.46	10.55	-17.50
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=C2)C=C1	REAL300012008855	0	48	0.0	-30.95	391.74	11.90	-19.05
COC1=CC=C(Br)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008856	0	39	0.0	-26.75	336.46	7.65	-19.10
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012008857	0	41	0.0	-36.98	351.65	8.56	-28.42
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012008858	0	35	0.0	-30.81	330.91	8.87	-21.94
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012008859	0	35	0.0	-31.25	320.57	8.52	-22.73
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008860	0	41	0.0	-26.66	330.36	8.93	-17.73
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012008861	0	32	0.0	-29.95	299.90	6.63	-23.32
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008862	0	48	0.0	-31.18	392.19	11.90	-19.28
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012008863	0	39	0.0	-31.39	335.36	7.48	-23.91
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OCC	REAL300012008864	0	49	0.0	-32.08	398.58	8.86	-23.22
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012008865	0	35	0.0	-33.13	319.75	8.40	-24.73
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012008866	0	38	0.0	-35.81	349.34	9.28	-26.53
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012008867	0	35	0.0	-29.41	314.98	8.33	-21.08
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012008868	0	39	0.0	-32.67	343.44	7.66	-25.01
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012008869	0	35	0.0	-27.73	319.74	8.46	-19.27
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012008870	0	49	0.0	-32.35	405.64	11.01	-21.34
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012008871	0	35	0.0	-31.99	310.27	8.00	-23.99
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012008872	0	35	0.0	-27.70	319.19	8.45	-19.25
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C2=CC=CC=C12	REAL300012008873	0	45	0.0	-29.11	366.75	9.43	-19.68
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012008874	0	42	0.0	-29.96	353.46	7.75	-22.21
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012008874	1	42	0.0	-29.31	353.66	7.78	-21.53
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012008875	0	35	0.0	-27.38	307.14	7.95	-19.43
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008876	0	41	0.0	-35.32	341.69	8.21	-27.11
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=N1	REAL300012008877	0	38	0.0	-32.20	324.49	4.56	-27.64
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(Br)=C1O	REAL300012008878	0	40	0.0	-32.58	347.83	5.43	-27.15
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012008879	0	40	0.0	-31.60	333.34	7.71	-23.89
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC(Br)=C1	REAL300012008880	0	32	0.0	-28.81	307.76	7.56	-21.25
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012008881	0	45	0.0	-30.90	370.34	11.23	-19.67
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012008882	0	48	0.0	-34.14	400.91	9.38	-24.76
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012008883	0	46	0.0	-30.96	371.37	7.77	-23.19
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012008884	0	39	0.0	-28.71	328.60	7.95	-20.76
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008885	0	38	0.0	-29.41	318.62	8.63	-20.78
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012008886	0	35	0.0	-34.35	324.45	8.53	-25.82
CC1=NC(C)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012008887	0	37	0.0	-28.19	320.02	6.24	-21.95
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012008888	0	44	0.0	-30.33	369.08	9.83	-20.50
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012008889	0	44	0.0	-34.40	366.67	9.51	-24.89
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012008890	0	44	0.0	-32.38	365.52	9.55	-22.83
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008891	0	50	0.0	-28.76	391.44	8.40	-20.36
CN1CCN(C2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=C2)CC1	REAL300012008892	1	52	0.0	-29.86	405.35	6.53	-23.33
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012008893	0	44	0.0	-33.31	376.60	6.36	-26.95
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012008894	0	42	0.0	-36.10	353.89	6.22	-29.88
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012008895	0	42	0.0	-32.50	361.35	9.18	-23.32
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012008896	0	42	0.0	-32.66	372.98	9.67	-22.99
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012008897	0	42	0.0	-32.77	368.35	8.63	-24.14
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012008898	0	41	0.0	-30.73	343.56	10.11	-20.62
COC1=C2OC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CC2=CC=C1	REAL300012008899	0	42	0.0	-36.12	352.65	7.68	-28.44
CC(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012008900	0	46	0.0	-39.79	381.21	10.32	-29.47
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012008901	0	38	0.0	-33.44	343.51	7.10	-26.34
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008902	0	51	0.0	-30.02	416.23	10.42	-19.60
CCOC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1OCC(C)C	REAL300012008903	0	55	0.0	-32.11	441.50	10.38	-21.73
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012008904	0	35	0.0	-26.65	322.14	8.50	-18.15
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012008905	0	35	0.0	-33.13	324.31	8.51	-24.62
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC(OC)=C1	REAL300012008906	0	43	0.0	-31.02	355.12	6.43	-24.59
COC1=CC2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=C2C=C1	REAL300012008907	0	45	0.0	-32.06	372.90	9.41	-22.65
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Br)=CS1	REAL300012008909	0	32	0.0	-28.51	306.98	7.59	-20.92
CCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OCC	REAL300012008910	0	55	0.0	-33.29	442.90	10.48	-22.81
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008911	0	48	0.0	-30.44	393.74	10.04	-20.40
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1OC(F)F	REAL300012008912	0	43	0.0	-28.24	362.27	7.42	-20.82
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012008913	0	39	0.0	-30.29	357.98	8.44	-21.85
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012008914	0	41	0.0	-41.10	347.78	6.99	-34.11
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012008916	0	35	0.0	-34.33	324.45	8.52	-25.81
CC1=CC=C(COC2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=C2)C=C1	REAL300012008917	0	52	0.0	-31.85	430.10	11.91	-19.94
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012008918	0	50	0.0	-29.27	389.06	9.11	-20.16
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008919	0	54	0.0	-28.98	434.77	11.31	-17.67
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1SC	REAL300012008920	0	43	0.0	-32.68	365.04	8.17	-24.51
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008921	0	46	0.0	-36.21	389.81	9.44	-26.77
CCCCCOC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1OC	REAL300012008922	0	55	0.0	-32.39	442.55	10.34	-22.05
CCC(C)OC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1OC	REAL300012008923	0	52	0.0	-31.63	415.40	9.35	-22.28
CCCCCCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008924	0	57	0.0	-28.39	454.95	12.05	-16.34
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OCCCC#N	REAL300012008925	0	50	0.0	-41.65	420.40	9.30	-32.35
C=C(C)COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1OC	REAL300012008926	0	50	0.0	-33.03	408.71	9.28	-23.75
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OCCC(C)C	REAL300012008927	0	55	0.0	-32.32	438.62	10.09	-22.23
C=CCC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC(OC)=C1O	REAL300012008928	0	47	0.0	-32.15	392.32	7.01	-25.14
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012008929	0	42	0.0	-33.27	356.85	7.79	-25.48
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008930	0	44	0.0	-33.12	374.33	8.78	-24.34
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008931	0	45	0.0	-32.61	394.85	6.38	-26.23
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012008932	0	41	0.0	-39.07	350.33	7.76	-31.31
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012008933	0	41	0.0	-27.69	358.42	8.63	-19.06
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012008934	0	48	0.0	-34.55	391.49	7.00	-27.55
CN1C=NC2=CC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CC=C21	REAL300012008935	0	41	0.0	-36.92	344.51	9.17	-27.75
CCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1C	REAL300012008936	0	44	0.0	-28.39	358.97	7.51	-20.88
C=CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1Cl	REAL300012008937	0	43	0.0	-33.64	376.41	9.18	-24.46
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012008938	0	41	0.0	-30.80	360.31	8.89	-21.91
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012008939	0	47	0.0	-26.75	383.87	7.80	-18.95
CC1(C)CC2=CC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CC=C2O1	REAL300012008940	0	46	0.0	-31.94	374.86	9.11	-22.83
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012008941	0	41	0.0	-28.26	352.78	6.25	-22.01
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012008942	0	38	0.0	-27.61	353.92	7.69	-19.92
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008943	0	45	0.0	-28.25	374.94	8.39	-19.86
CC1=CC=C(F)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008944	0	38	0.0	-26.37	323.37	8.58	-17.79
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008945	0	38	0.0	-30.69	318.68	8.62	-22.07
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012008946	0	38	0.0	-31.08	351.56	9.39	-21.69
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012008947	0	35	0.0	-29.64	327.91	8.81	-20.83
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(Br)=C1	REAL300012008948	0	38	0.0	-23.75	332.98	9.07	-14.68
CC(C)COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012008949	0	48	0.0	-29.26	388.22	9.59	-19.67
COCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012008950	0	46	0.0	-31.68	380.25	7.36	-24.32
CC1(C)CCCC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C1	REAL300012008951	0	47	0.0	-30.41	351.11	9.05	-21.36
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012008952	0	39	0.0	-33.39	351.41	7.94	-25.45
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1Cl	REAL300012008953	0	45	0.0	-26.62	391.81	9.42	-17.20
CC1=CCCC(C)C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008954	0	45	0.0	-25.04	336.12	9.07	-15.97
COC1=CC2=C(C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-])OCO2	REAL300012008955	0	42	0.0	-29.30	349.42	5.87	-23.43
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012008956	0	40	0.0	-29.39	331.69	8.21	-21.18
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008957	0	48	0.0	-28.32	389.06	9.62	-18.70
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008958	0	38	0.0	-28.85	328.95	9.07	-19.78
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012008959	0	39	0.0	-33.89	333.57	9.19	-24.70
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012008960	0	34	0.0	-32.17	307.84	6.46	-25.71
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012008961	0	34	0.0	-31.39	312.29	6.64	-24.75
CN1N=NC2=CC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CC=C21	REAL300012008962	0	40	0.0	-40.37	341.43	6.30	-34.07
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=C2O1	REAL300012008963	0	46	0.0	-26.20	374.15	9.12	-17.08
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012008964	0	40	0.0	-26.58	352.34	8.31	-18.27
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=N1	REAL300012008965	0	38	0.0	-33.91	324.59	4.60	-29.31
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012008966	0	45	0.0	-28.50	376.93	9.03	-19.47
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012008967	0	42	0.0	-37.04	354.52	9.09	-27.95
CC(C)N1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=N1	REAL300012008968	0	41	0.0	-30.77	340.47	7.06	-23.71
CC1=C(Br)SC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008969	0	35	0.0	-31.30	328.93	8.38	-22.92
CC1=NC2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=C2C=C1	REAL300012008970	0	43	0.0	-35.11	360.15	8.83	-26.28
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=C2)C=C1	REAL300012008971	0	50	0.0	-33.38	415.64	10.08	-23.30
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012008972	0	37	0.0	-28.21	321.29	7.00	-21.21
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=C2)=C1	REAL300012008973	0	51	0.0	-31.25	414.45	12.67	-18.58
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012008974	0	44	0.0	-35.36	366.37	11.31	-24.05
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012008975	0	38	0.0	-29.96	330.42	8.42	-21.54
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012008976	0	42	0.0	-34.46	361.79	8.49	-25.97
COCC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012008977	0	42	0.0	-31.65	352.51	7.59	-24.06
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008978	0	45	0.0	-31.46	392.57	10.24	-21.22
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012008979	0	49	0.0	-33.57	413.81	11.17	-22.40
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008980	0	48	0.0	-24.88	388.23	9.73	-15.15
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012008981	0	46	0.0	-32.50	398.02	12.04	-20.46
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012008982	0	45	0.0	-30.27	373.66	8.71	-21.56
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC	REAL300012008983	0	46	0.0	-31.86	370.94	7.74	-24.12
CN1C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300012008984	0	41	0.0	-36.11	358.49	8.72	-27.39
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008985	0	41	0.0	-27.36	348.01	6.53	-20.83
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012008986	0	39	0.0	-31.20	343.48	6.70	-24.50
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008987	0	39	0.0	-29.08	352.98	9.38	-19.70
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012008988	0	45	0.0	-37.37	388.10	9.60	-27.77
CC1CCC2=C(C1)SC(C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-])=N2	REAL300012008989	0	44	0.0	-26.80	366.74	8.29	-18.51
CC(C)(C)C1CCC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])CC1	REAL300012008990	0	53	0.0	-28.90	378.90	9.91	-18.99
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008991	0	49	0.0	-30.86	398.40	10.61	-20.25
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008992	0	49	0.0	-28.32	399.70	10.70	-17.62
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012008993	0	48	0.0	-33.49	394.91	8.89	-24.60
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012008994	0	46	0.0	-31.16	380.46	9.75	-21.41
COC1=CC(Cl)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1Cl	REAL300012008995	0	39	0.0	-26.85	353.48	8.15	-18.70
CC(C)CC1=NC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012008996	0	43	0.0	-30.16	363.83	7.90	-22.26
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012008997	0	38	0.0	-31.99	354.34	8.03	-23.96
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012008998	0	38	0.0	-31.36	353.61	7.90	-23.46
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])S2)O1	REAL300012008999	0	41	0.0	-31.26	367.16	7.79	-23.47
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009000	0	38	0.0	-28.84	333.51	9.18	-19.66
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012009001	0	35	0.0	-32.89	332.25	8.89	-24.00
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012009002	0	42	0.0	-30.31	360.32	7.87	-22.44
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012009003	0	44	0.0	-36.31	372.40	9.54	-26.77
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012009004	0	38	0.0	-28.21	339.39	8.82	-19.39
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009005	0	46	0.0	-27.59	381.03	7.48	-20.11
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012009006	0	35	0.0	-28.84	325.32	8.77	-20.07
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009007	0	39	0.0	-30.48	347.44	7.93	-22.55
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012009008	0	38	0.0	-31.91	328.03	7.03	-24.88
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012009009	0	42	0.0	-25.98	358.31	8.16	-17.82
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012009010	0	49	0.0	-28.90	406.06	10.60	-18.30
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009011	0	54	0.0	-29.61	418.37	11.21	-18.40
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009012	0	39	0.0	-31.38	326.95	7.16	-24.22
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012009013	0	42	0.0	-29.68	362.78	9.78	-19.90
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009014	0	43	0.0	-29.13	362.95	7.60	-21.53
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012009015	0	41	0.0	-31.15	340.63	6.98	-24.17
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012009016	0	35	0.0	-28.71	317.39	8.51	-20.20
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012009017	0	35	0.0	-29.36	314.15	8.45	-20.91
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012009018	0	42	0.0	-34.17	354.93	9.11	-25.06
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012009019	0	45	0.0	-32.12	392.96	10.04	-22.08
CC(C)(C)N1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=N1	REAL300012009020	0	44	0.0	-30.46	360.18	7.76	-22.70
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC(C)=C1	REAL300012009021	0	41	0.0	-29.04	340.26	9.19	-19.85
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009022	0	42	0.0	-34.87	353.78	6.83	-28.04
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012009023	0	35	0.0	-24.69	307.98	8.30	-16.39
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012009024	0	37	0.0	-34.57	325.64	8.61	-25.96
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012009025	0	37	0.0	-36.46	323.48	8.53	-27.93
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012009026	0	41	0.0	-29.33	335.03	9.92	-19.41
CN(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009027	0	43	0.0	-29.75	348.94	8.34	-21.41
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009028	0	49	0.0	-28.67	391.26	10.13	-18.54
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012009029	0	35	0.0	-30.84	318.71	8.57	-22.27
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012009030	0	35	0.0	-29.88	312.00	8.38	-21.50
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC(OC)=C1OC	REAL300012009031	0	47	0.0	-34.57	389.35	6.98	-27.59
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012009032	0	35	0.0	-26.46	313.84	8.20	-18.26
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012009033	0	39	0.0	-28.47	335.30	7.57	-20.90
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1OC	REAL300012009034	0	43	0.0	-26.36	354.07	7.12	-19.24
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012009035	0	35	0.0	-29.66	323.31	8.71	-20.95
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012009036	0	48	0.0	-31.20	381.43	6.77	-24.43
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC	REAL300012009037	0	43	0.0	-33.23	354.87	7.02	-26.21
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(OC)=C1	REAL300012009038	0	43	0.0	-31.58	355.06	6.52	-25.06
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012009039	0	38	0.0	-32.37	336.15	8.94	-23.43
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012009040	0	35	0.0	-33.14	308.11	7.91	-25.23
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012009041	0	35	0.0	-26.22	325.33	8.83	-17.39
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012009042	0	35	0.0	-32.90	328.04	8.79	-24.11
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012009043	0	39	0.0	-33.60	336.68	7.52	-26.08
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012009044	0	38	0.0	-33.89	323.89	8.92	-24.97
CCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009045	0	48	0.0	-29.49	389.62	9.67	-19.82
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009046	0	51	0.0	-29.42	407.18	10.19	-19.23
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009047	0	54	0.0	-30.38	434.77	11.31	-19.07
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012009048	0	46	0.0	-30.11	386.12	10.78	-19.33
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(OCCC)=C1	REAL300012009049	0	55	0.0	-30.15	440.45	9.94	-20.21
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009050	0	39	0.0	-28.97	325.60	7.20	-21.77
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009051	0	42	0.0	-29.70	343.79	9.60	-20.10
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC	REAL300012009052	0	46	0.0	-33.60	378.05	7.98	-25.62
CC(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009053	0	44	0.0	-29.04	357.65	9.87	-19.17
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012009054	0	38	0.0	-30.45	336.15	8.93	-21.52
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(OC)=C1OC	REAL300012009055	0	47	0.0	-28.29	387.98	7.09	-21.20
CCOC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009056	0	42	0.0	-25.19	345.23	8.15	-17.04
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009057	0	42	0.0	-29.70	346.62	8.09	-21.61
COC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009058	0	39	0.0	-30.03	325.53	7.23	-22.80
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009059	0	39	0.0	-29.50	346.88	7.84	-21.66
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC(Br)=C1O	REAL300012009060	0	40	0.0	-32.13	358.09	5.71	-26.42
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012009061	0	45	0.0	-31.24	371.64	11.36	-19.88
COC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012009062	0	45	0.0	-28.24	366.50	9.30	-18.94
CSC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009063	0	39	0.0	-31.29	337.66	8.89	-22.40
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012009064	0	35	0.0	-25.47	322.56	8.58	-16.89
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009065	0	47	0.0	-29.91	384.26	6.49	-23.42
CCC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009066	0	41	0.0	-28.20	338.15	9.31	-18.89
CC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=C1	REAL300012009067	0	44	0.0	-26.72	348.72	9.50	-17.22
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012009068	0	35	0.0	-28.99	306.76	7.86	-21.13
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012009069	0	35	0.0	-35.06	308.83	7.94	-27.12
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009070	0	45	0.0	-31.23	390.82	9.85	-21.38
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012009071	0	49	0.0	-29.88	407.37	11.18	-18.70
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1Br	REAL300012009072	0	35	0.0	-24.14	311.56	8.42	-15.72
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1O	REAL300012009073	0	40	0.0	-34.05	337.71	5.00	-29.05
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009074	0	41	0.0	-32.06	338.28	6.69	-25.37
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009075	0	38	0.0	-29.10	334.27	6.46	-22.64
CCC1=NN(C)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009076	0	41	0.0	-30.39	341.39	7.05	-23.34
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012009077	0	38	0.0	-37.22	338.34	6.99	-30.23
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012009078	0	47	0.0	-29.50	362.38	7.80	-21.70
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009079	0	47	0.0	-34.94	391.62	9.72	-25.22
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012009080	0	45	0.0	-28.98	377.55	9.61	-19.37
CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1OC	REAL300012009081	0	46	0.0	-26.09	375.87	8.05	-18.04
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OCC(N)=O	REAL300012009082	0	47	0.0	-44.14	394.78	5.02	-39.12
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009083	0	41	0.0	-27.25	353.19	8.76	-18.49
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012009084	0	42	0.0	-34.27	353.04	5.81	-28.46
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012009085	0	41	0.0	-29.78	350.56	7.61	-22.17
COC1=CC2=C(C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-])OC(C)C2	REAL300012009086	0	47	0.0	-29.30	382.53	7.89	-21.41
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CS1	REAL300012009087	1	44	0.0	-31.96	374.95	7.66	-24.30
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1C	REAL300012009088	0	42	0.0	-30.60	345.70	7.87	-22.73
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009089	0	44	0.0	-29.67	339.58	6.48	-23.19
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009090	0	43	0.0	-27.61	352.44	6.54	-21.07
COC1=CC=C(F)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009091	0	39	0.0	-31.17	331.44	7.27	-23.90
CSC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009092	0	36	0.0	-30.55	330.94	8.26	-22.29
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009093	0	48	0.0	-24.62	387.21	11.72	-12.90
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012009094	0	38	0.0	-33.09	322.14	6.47	-26.62
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012009095	0	32	0.0	-28.49	302.93	7.41	-21.08
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009096	0	41	0.0	-38.45	358.12	5.46	-32.99
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012009097	0	45	0.0	-31.78	388.36	11.88	-19.90
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009098	0	39	0.0	-29.54	330.67	7.25	-22.29
NC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009099	0	39	0.0	-36.07	331.96	4.72	-31.35
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1F	REAL300012009100	0	39	0.0	-34.05	333.17	7.23	-26.82
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009101	0	39	0.0	-29.61	342.32	7.74	-21.87
COC(=O)C1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CN1C	REAL300012009102	0	42	0.0	-32.45	355.54	8.01	-24.44
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1Cl	REAL300012009103	0	38	0.0	-29.33	332.91	8.97	-20.36
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1C	REAL300012009104	0	42	0.0	-30.29	347.03	7.91	-22.38
CC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1F	REAL300012009105	0	38	0.0	-32.27	323.33	8.53	-23.74
N#CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(F)=C1	REAL300012009106	0	36	0.0	-31.64	323.83	8.34	-23.30
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012009107	0	48	0.0	-32.01	401.46	9.53	-22.48
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012009108	0	34	0.0	-26.90	312.41	6.59	-20.31
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012009109	0	44	0.0	-31.88	371.11	5.25	-26.63
C#CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009110	0	44	0.0	-31.60	376.06	9.49	-22.11
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012009111	0	38	0.0	-29.15	323.10	8.33	-20.82
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=C12	REAL300012009112	0	43	0.0	-36.71	362.40	7.55	-29.16
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012009113	0	38	0.0	-26.31	332.58	7.05	-19.26
CCC1=NC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CS1	REAL300012009114	0	37	0.0	-26.72	325.45	6.34	-20.38
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012009115	0	38	0.0	-28.08	339.82	8.83	-19.25
CCOCC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1OC	REAL300012009116	0	49	0.0	-28.74	399.72	8.03	-20.71
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009117	0	39	0.0	-33.91	331.97	4.71	-29.20
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012009118	0	38	0.0	-36.20	332.47	7.35	-28.85
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1CCCCCCC1	REAL300012009119	0	47	0.0	-29.27	340.08	9.12	-20.15
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1F	REAL300012009120	0	39	0.0	-35.08	331.00	7.15	-27.93
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012009121	0	35	0.0	-25.69	316.38	8.24	-17.45
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012009122	0	42	0.0	-28.63	341.67	9.73	-18.90
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC=C1Br	REAL300012009123	0	32	0.0	-24.07	303.58	7.38	-16.69
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009124	0	48	0.0	-25.49	382.09	9.39	-16.10
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012009125	0	41	0.0	-31.13	345.97	7.60	-23.53
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012009126	0	35	0.0	-31.26	325.13	8.62	-22.64
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012009127	0	40	0.0	-33.91	338.45	8.34	-25.57
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012009128	0	35	0.0	-26.20	319.44	8.52	-17.68
COC1=CC(F)=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009129	0	39	0.0	-31.63	333.36	7.23	-24.40
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012009130	0	35	0.0	-27.63	323.61	8.56	-19.07
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=N1	REAL300012009131	0	45	0.0	-32.56	369.05	7.90	-24.66
CS(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009132	0	40	0.0	-37.26	347.48	6.46	-30.80
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012009133	0	45	0.0	-28.53	358.82	10.31	-18.22
N#CC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=N1	REAL300012009134	0	35	0.0	-31.61	312.07	6.29	-25.32
COC(=O)C1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CN1	REAL300012009135	0	39	0.0	-38.73	337.78	6.26	-32.47
COCC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])O1	REAL300012009136	0	39	0.0	-30.10	333.77	5.88	-24.22
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=C1OC	REAL300012009137	0	46	0.0	-29.66	369.03	7.75	-21.91
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012009138	0	32	0.0	-26.13	318.40	7.94	-18.19
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009139	0	37	0.0	-31.48	313.77	6.67	-24.81
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009140	0	42	0.0	-29.85	347.01	7.89	-21.96
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012009141	0	34	0.0	-32.05	322.18	6.23	-25.82
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009142	0	41	0.0	-36.41	358.11	5.45	-30.96
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012009143	0	32	0.0	-28.66	302.39	7.48	-21.18
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012009144	0	48	0.0	-29.08	380.97	11.13	-17.95
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009145	0	38	0.0	-28.69	334.26	8.99	-19.70
COCC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009146	0	42	0.0	-31.18	352.48	7.67	-23.51
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012009147	0	42	0.0	-26.41	354.98	9.59	-16.82
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012009148	0	42	0.0	-28.92	345.35	9.93	-18.99
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012009149	0	31	0.0	-31.32	299.29	5.62	-25.70
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012009150	0	45	0.0	-29.15	363.14	8.43	-20.72
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009151	0	45	0.0	-26.48	369.10	9.49	-16.99
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012009152	0	38	0.0	-30.52	327.45	8.73	-21.79
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=N1	REAL300012009153	0	44	0.0	-29.59	358.10	5.67	-23.92
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009154	0	39	0.0	-27.20	339.64	7.71	-19.49
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009155	0	45	0.0	-28.29	355.57	8.28	-20.01
CC1=NC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012009156	0	45	0.0	-28.00	374.32	10.14	-17.86
CCCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1C	REAL300012009157	0	47	0.0	-29.11	382.62	8.34	-20.77
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012009158	0	40	0.0	-33.21	339.44	7.52	-25.69
COCCN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=N1	REAL300012009159	0	42	0.0	-31.98	355.46	5.58	-26.40
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012009160	0	45	0.0	-29.13	363.18	10.53	-18.60
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012009161	0	45	0.0	-31.32	370.58	9.51	-21.81
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1F	REAL300012009162	0	42	0.0	-35.62	355.03	8.17	-27.45
COC1=CC=CC2=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=CC=C12	REAL300012009163	0	45	0.0	-29.10	366.79	9.41	-19.69
N#CC1=CSC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009164	0	33	0.0	-34.27	308.71	7.45	-26.82
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1C#N	REAL300012009165	0	40	0.0	-37.91	347.16	7.58	-30.33
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009166	0	45	0.0	-29.00	370.05	9.76	-19.24
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012009167	0	34	0.0	-31.95	321.47	6.14	-25.81
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1C#N	REAL300012009168	0	39	0.0	-34.90	336.13	8.72	-26.18
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012009169	0	42	0.0	-32.43	359.99	6.12	-26.31
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(Br)=C1	REAL300012009170	0	39	0.0	-30.25	340.54	7.64	-22.61
CC(C)CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=N1	REAL300012009171	0	44	0.0	-33.33	358.65	8.12	-25.21
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012009172	0	42	0.0	-26.00	338.30	9.86	-16.14
CC1=CC(Br)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009173	0	35	0.0	-26.62	327.50	8.27	-18.35
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009174	0	50	0.0	-31.04	407.12	10.64	-20.40
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009175	0	45	0.0	-24.91	383.54	10.46	-14.45
CCC1=CN=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009176	0	37	0.0	-30.55	324.31	6.54	-24.01
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CC=C21	REAL300012009177	0	46	0.0	-36.82	374.16	8.79	-28.03
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009178	0	42	0.0	-30.27	356.75	8.18	-22.09
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012009179	0	41	0.0	-30.15	377.86	9.36	-20.79
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012009180	0	41	0.0	-32.63	364.82	9.12	-23.51
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009181	0	52	0.0	-29.96	421.59	11.31	-18.65
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012009182	0	46	0.0	-29.12	394.51	10.20	-18.92
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009183	0	44	0.0	-29.74	360.11	7.70	-22.04
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012009184	0	44	0.0	-29.21	368.02	8.45	-20.76
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012009185	0	41	0.0	-32.74	370.64	9.11	-23.63
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012009186	0	38	0.0	-30.55	335.33	7.57	-22.98
CC(C)C1=NC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009187	0	40	0.0	-29.71	346.39	7.17	-22.54
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012009188	0	38	0.0	-31.08	343.93	6.92	-24.16
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012009189	0	35	0.0	-32.83	332.25	8.89	-23.94
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012009190	0	47	0.0	-30.73	405.70	10.33	-20.40
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=C2)C=N1	REAL300012009191	0	45	0.0	-34.11	377.55	9.24	-24.87
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012009192	0	38	0.0	-33.80	332.31	6.82	-26.98
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012009193	0	46	0.0	-32.20	391.21	10.81	-21.39
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012009194	0	45	0.0	-29.32	381.97	9.06	-20.26
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012009195	0	46	0.0	-32.94	396.38	9.39	-23.55
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])N1	REAL300012009196	0	43	0.0	-35.63	353.24	5.99	-29.64
NC(=O)C1=CSC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009197	0	36	0.0	-38.51	323.78	3.72	-34.79
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=N1	REAL300012009198	0	49	0.0	-35.25	405.82	10.29	-24.96
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009199	0	47	0.0	-28.77	382.29	8.17	-20.60
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012009200	0	41	0.0	-30.18	352.00	8.04	-22.14
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012009201	0	42	0.0	-32.93	361.48	6.15	-26.78
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])N=N1	REAL300012009202	0	44	0.0	-30.27	366.26	8.42	-21.85
CN1N=C(Br)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009203	0	35	0.0	-30.90	319.78	6.01	-24.89
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])S2)C=N1	REAL300012009204	0	42	0.0	-32.91	369.22	8.55	-24.36
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012009205	0	47	0.0	-34.14	375.20	8.71	-25.43
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009206	0	42	0.0	-25.31	362.74	8.74	-16.57
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009207	0	41	0.0	-25.80	337.55	9.07	-16.73
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012009208	0	35	0.0	-27.12	330.34	8.85	-18.27
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012009209	0	35	0.0	-30.05	312.92	5.71	-24.34
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009210	0	46	0.0	-29.95	382.15	8.29	-21.66
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012009211	0	39	0.0	-27.52	345.25	7.73	-19.79
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012009212	0	42	0.0	-30.61	358.83	8.87	-21.74
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012009213	0	48	0.0	-27.94	394.82	9.65	-18.29
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012009214	0	48	0.0	-25.55	387.83	9.30	-16.25
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012009216	0	45	0.0	-27.98	396.66	9.91	-18.07
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012009218	0	38	0.0	-28.28	330.06	7.27	-21.01
N#CCCN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012009219	0	48	0.0	-34.49	412.88	8.62	-25.87
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012009220	0	41	0.0	-25.61	356.35	11.46	-14.15
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009221	0	45	0.0	-35.95	375.49	8.36	-27.59
COCCCN1N=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009222	0	45	0.0	-28.94	356.92	6.26	-22.68
CC1=CC(F)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(Cl)=C1	REAL300012009223	0	38	0.0	-27.20	336.90	8.92	-18.28
COCCOCC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009224	0	49	0.0	-32.73	407.99	7.83	-24.90
CSCC1=CN=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009225	0	38	0.0	-32.18	347.54	6.98	-25.20
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012009226	0	35	0.0	-25.00	316.46	7.87	-17.13
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012009227	0	41	0.0	-31.69	365.77	10.42	-21.27
CCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=N1	REAL300012009228	0	40	0.0	-28.50	336.59	5.45	-23.05
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012009229	0	49	0.0	-39.15	420.88	10.27	-28.88
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012009230	0	42	0.0	-29.68	346.66	9.96	-19.72
N#CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1F	REAL300012009231	0	36	0.0	-38.98	322.88	8.26	-30.72
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012009232	0	38	0.0	-32.97	335.73	6.92	-26.05
CC1=CC(F)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(F)=C1	REAL300012009233	0	38	0.0	-28.17	328.15	8.54	-19.63
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])O1	REAL300012009234	0	45	0.0	-26.59	369.88	8.08	-18.51
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009235	0	44	0.0	-28.16	350.55	7.33	-20.83
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012009236	0	34	0.0	-29.32	321.40	7.02	-22.30
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CN1	REAL300012009237	0	42	0.0	-31.85	354.99	6.95	-24.90
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])S2)C=C1C	REAL300012009238	0	47	0.0	-30.65	400.84	10.09	-20.56
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009239	0	45	0.0	-33.42	378.16	9.81	-23.61
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009240	0	45	0.0	-32.56	388.04	10.41	-22.15
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009241	0	48	0.0	-30.94	395.93	10.37	-20.57
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009242	0	45	0.0	-33.68	372.72	9.84	-23.84
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009243	0	44	0.0	-27.35	347.36	9.55	-17.80
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012009244	0	42	0.0	-31.67	339.87	7.19	-24.48
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012009245	0	41	0.0	-29.52	342.17	7.38	-22.14
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012009246	0	37	0.0	-31.23	320.06	6.66	-24.57
COC1=CC(OC)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1F	REAL300012009247	0	43	0.0	-31.11	361.25	6.66	-24.45
COC1=CC(F)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC	REAL300012009248	0	43	0.0	-29.06	360.68	7.12	-21.94
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(Cl)=C1	REAL300012009249	0	38	0.0	-24.25	329.39	8.97	-15.28
CCC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009250	0	41	0.0	-29.32	340.33	9.30	-20.02
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009251	0	48	0.0	-31.74	397.39	10.38	-21.36
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(F)=C1	REAL300012009252	0	39	0.0	-33.99	332.51	7.17	-26.82
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012009253	0	42	0.0	-28.13	340.10	9.75	-18.38
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009254	0	39	0.0	-29.75	330.90	7.32	-22.43
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=C1	REAL300012009255	0	48	0.0	-28.08	383.73	9.56	-18.52
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012009256	0	37	0.0	-32.97	327.39	7.61	-25.36
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012009257	0	39	0.0	-31.52	323.92	6.47	-25.05
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012009258	0	38	0.0	-29.17	345.29	8.96	-20.21
CCC1=C2OC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CC2=CC=C1	REAL300012009259	0	44	0.0	-33.43	368.20	9.90	-23.53
C=CCCN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])N=N1	REAL300012009260	0	41	0.0	-37.58	347.80	6.52	-31.06
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012009261	0	42	0.0	-30.26	350.68	7.92	-22.34
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012009262	0	43	0.0	-27.59	361.21	8.86	-18.73
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=C1	REAL300012009263	0	45	0.0	-29.20	360.25	8.62	-20.58
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012009264	0	39	0.0	-29.44	341.78	7.63	-21.81
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012009265	0	39	0.0	-30.39	341.74	7.58	-22.81
COC1=NC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009266	0	38	0.0	-27.30	323.20	4.70	-22.60
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012009267	0	48	0.0	-29.20	381.67	11.07	-18.13
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=N1	REAL300012009268	0	45	0.0	-30.92	376.96	6.68	-24.24
COCC1=CSC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009269	0	39	0.0	-29.89	340.81	6.70	-23.19
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012009270	0	41	0.0	-29.52	339.63	6.33	-23.19
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012009271	0	41	0.0	-29.59	377.88	9.36	-20.23
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012009272	0	35	0.0	-33.64	328.07	8.01	-25.63
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012009273	0	35	0.0	-29.76	319.36	7.22	-22.54
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012009274	0	35	0.0	-25.16	317.84	7.97	-17.19
CN(C)C1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=CC(F)=C1F	REAL300012009275	0	43	0.0	-32.92	355.78	7.88	-25.04
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012009276	0	35	0.0	-27.74	321.34	8.30	-19.44
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012009277	0	47	0.0	-32.89	381.44	7.54	-25.35
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1F	REAL300012009278	0	43	0.0	-28.86	362.84	7.45	-21.41
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009279	0	49	0.0	-31.71	399.12	9.68	-22.03
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012009280	0	35	0.0	-29.29	313.24	8.00	-21.29
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012009281	0	42	0.0	-31.09	364.33	8.19	-22.90
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC	REAL300012009282	0	47	0.0	-32.39	410.89	9.31	-23.08
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC1CC1	REAL300012009283	0	47	0.0	-33.29	387.21	8.81	-24.48
CCCN1N=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009284	0	41	0.0	-28.99	334.98	7.03	-21.96
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009285	0	38	0.0	-34.93	339.41	6.42	-28.51
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009286	0	49	0.0	-33.06	399.01	8.15	-24.91
CCCC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009287	0	41	0.0	-27.40	352.54	9.33	-18.07
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012009288	0	42	0.0	-29.74	362.63	10.48	-19.26
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012009289	0	48	0.0	-27.89	390.58	10.06	-17.83
CC(C)C1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009290	0	44	0.0	-28.73	357.64	9.86	-18.87
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(Cl)=N1	REAL300012009291	0	35	0.0	-33.75	314.76	6.09	-27.66
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012009292	0	42	0.0	-28.06	372.49	8.72	-19.34
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012009293	0	51	0.0	-29.90	396.80	9.80	-20.10
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012009294	0	48	0.0	-29.10	388.50	11.37	-17.73
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009295	0	43	0.0	-29.26	370.23	7.16	-22.10
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=NC=C1Br	REAL300012009296	0	37	0.0	-32.05	330.08	7.21	-24.84
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C(Br)C=C1F	REAL300012009297	0	38	0.0	-24.45	338.27	9.12	-15.33
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012009298	0	36	0.0	-29.69	323.72	5.54	-24.15
CN1C=C(C2=NC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CS2)C=N1	REAL300012009299	0	41	0.0	-36.21	364.77	6.45	-29.76
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1Cl	REAL300012009300	0	39	0.0	-32.14	341.66	7.67	-24.47
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012009301	0	45	0.0	-30.30	366.81	8.39	-21.91
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012009302	0	41	0.0	-39.86	356.74	7.83	-32.03
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012009303	0	41	0.0	-30.13	341.44	9.25	-20.88
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(Br)=N1	REAL300012009304	0	35	0.0	-32.75	318.80	6.15	-26.60
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(F)=C1	REAL300012009305	0	38	0.0	-26.46	324.42	8.63	-17.83
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009306	0	42	0.0	-37.14	353.24	6.85	-30.29
CN1N=CC2=CC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CN=C21	REAL300012009307	0	40	0.0	-37.19	341.75	7.00	-30.19
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012009308	0	34	0.0	-27.89	317.78	6.62	-21.27
COC1=CC(Cl)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC	REAL300012009309	0	43	0.0	-27.58	368.00	7.54	-20.04
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012009310	0	41	0.0	-31.29	356.25	9.65	-21.64
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009311	0	45	0.0	-29.64	359.46	7.85	-21.79
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C(C)N1	REAL300012009312	0	48	0.0	-29.98	397.76	8.34	-21.64
CC1=C(C)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CS1	REAL300012009313	0	38	0.0	-27.79	321.83	8.13	-19.66
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012009314	0	34	0.0	-34.83	315.04	6.55	-28.28
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012009315	0	45	0.0	-30.41	389.16	11.79	-18.62
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012009316	0	35	0.0	-28.32	327.55	8.55	-19.77
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Br)SC=C1	REAL300012009317	0	32	0.0	-26.96	302.09	7.49	-19.47
CCOC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C(F)C=C1OC	REAL300012009318	0	46	0.0	-28.32	381.22	7.98	-20.34
COC1=NC=C(Br)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009319	0	38	0.0	-27.08	344.48	5.31	-21.77
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012009320	0	41	0.0	-28.70	341.80	10.02	-18.68
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CN=C1Br	REAL300012009321	0	34	0.0	-30.86	302.20	6.45	-24.41
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012009322	0	35	0.0	-26.15	329.54	8.93	-17.22
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012009323	0	39	0.0	-34.74	347.20	7.74	-27.00
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009324	0	45	0.0	-29.67	371.76	8.85	-20.82
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009325	0	42	0.0	-31.19	355.19	8.23	-22.96
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012009326	0	49	0.0	-35.74	392.11	8.91	-26.83
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012009327	0	39	0.0	-36.50	342.26	7.46	-29.04
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009328	0	48	0.0	-28.93	377.82	9.07	-19.86
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009329	0	38	0.0	-27.82	326.31	8.98	-18.84
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C(F)C=C1C	REAL300012009330	0	42	0.0	-26.29	350.21	7.91	-18.38
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=C1Br	REAL300012009331	0	41	0.0	-27.68	348.54	9.63	-18.05
CC1=CC=NC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1Br	REAL300012009332	0	37	0.0	-26.36	327.49	7.07	-19.29
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009333	0	52	0.0	-31.75	417.34	8.11	-23.64
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012009334	0	45	0.0	-28.69	387.58	9.17	-19.52
COCCC1=NC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009336	0	41	0.0	-31.08	359.30	5.64	-25.44
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012009337	1	36	0.0	-30.60	334.58	5.77	-24.83
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012009338	1	36	0.0	-31.29	319.69	5.22	-26.07
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009339	0	43	0.0	-31.02	358.83	7.51	-23.51
CCN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012009340	0	48	0.0	-31.15	397.35	9.86	-21.29
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012009341	0	43	0.0	-28.42	343.65	7.84	-20.58
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1C	REAL300012009342	0	51	0.0	-27.64	399.56	9.12	-18.52
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012009343	0	37	0.0	-40.36	325.21	8.41	-31.95
CC1=C(Br)C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009344	0	35	0.0	-28.33	327.86	8.36	-19.97
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012009345	0	45	0.0	-30.86	387.07	11.75	-19.11
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012009346	0	40	0.0	-30.08	331.38	8.11	-21.97
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1C	REAL300012009347	0	48	0.0	-29.73	389.06	9.59	-20.14
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012009348	0	39	0.0	-33.39	332.17	6.24	-27.15
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012009349	0	49	0.0	-35.90	409.66	8.84	-27.06
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009350	0	42	0.0	-28.70	351.45	8.12	-20.58
CC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009351	0	38	0.0	-32.48	338.19	9.01	-23.47
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012009352	0	40	0.0	-31.60	332.90	8.98	-22.62
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009353	0	43	0.0	-34.35	352.63	9.46	-24.89
COC1=CC=C(CN2C=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])N=N2)C=C1	REAL300012009354	0	48	0.0	-43.16	405.09	7.58	-35.58
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(F)=C1OC	REAL300012009355	0	43	0.0	-37.17	364.15	7.15	-30.02
COC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(F)=C1	REAL300012009356	0	41	0.0	-37.51	356.47	8.50	-29.01
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012009357	0	45	0.0	-34.86	382.77	8.20	-26.66
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012009358	0	49	0.0	-32.84	407.39	11.09	-21.75
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012009359	0	42	0.0	-29.47	360.32	8.52	-20.95
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012009360	0	34	0.0	-27.56	309.17	6.53	-21.03
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009361	0	51	0.0	-29.04	411.38	10.87	-18.17
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009362	0	42	0.0	-31.43	351.07	9.37	-22.06
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012009363	0	38	0.0	-34.84	328.38	6.67	-28.17
CCCC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009365	0	44	0.0	-28.62	360.51	10.04	-18.58
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012009366	0	41	0.0	-32.23	376.85	9.17	-23.06
COC1=CC=C(C2=NC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CS2)C=C1	REAL300012009367	0	45	0.0	-32.86	389.56	7.97	-24.89
CC1=C2C=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=NC2=NN1	REAL300012009369	0	40	0.0	-37.82	339.19	6.34	-31.48
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009370	0	43	0.0	-38.42	371.01	4.65	-33.77
CN1N=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012009371	0	41	0.0	-28.51	347.37	7.86	-20.65
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012009372	0	38	0.0	-32.03	322.16	6.47	-25.56
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012009372	1	38	0.0	-28.22	324.54	6.49	-21.73
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009373	0	35	0.0	-33.71	330.90	7.22	-26.49
CCC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009374	0	38	0.0	-27.52	331.04	8.55	-18.97
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012009375	0	40	0.0	-25.82	330.55	8.10	-17.72
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012009376	0	41	0.0	-31.98	341.65	8.82	-23.16
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009377	0	55	0.0	-29.27	417.91	9.91	-19.36
CCC1=NC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009378	0	37	0.0	-30.05	325.61	6.57	-23.48
COC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])SC=C1	REAL300012009379	0	36	0.0	-27.42	317.57	6.34	-21.08
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012009380	0	41	0.0	-34.62	351.45	6.10	-28.52
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC=C1Cl	REAL300012009381	0	32	0.0	-24.58	299.93	7.26	-17.32
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009382	0	40	0.0	-34.21	351.37	7.02	-27.19
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009383	0	46	0.0	-33.40	393.77	8.33	-25.07
CCCC(C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012009384	0	47	0.0	-30.65	373.37	10.45	-20.20
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012009385	0	40	0.0	-27.30	351.11	8.79	-18.51
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012009386	0	35	0.0	-32.23	326.14	8.17	-24.06
CN(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012009387	0	46	0.0	-33.98	377.48	9.32	-24.66
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009388	0	45	0.0	-32.14	378.38	10.45	-21.69
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009389	0	44	0.0	-33.19	385.50	9.45	-23.74
CC(C)C1CCC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])CC1	REAL300012009390	0	50	0.0	-29.00	366.00	9.62	-19.38
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012009391	0	38	0.0	-33.58	355.17	9.19	-24.39
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012009392	0	38	0.0	-28.81	344.42	8.94	-19.87
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009393	0	46	0.0	-33.43	384.09	9.26	-24.17
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009394	0	49	0.0	-31.63	396.55	9.49	-22.14
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009395	0	45	0.0	-25.83	364.57	8.56	-17.27
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012009396	0	44	0.0	-32.65	368.32	9.48	-23.17
CN1N=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1Cl	REAL300012009397	0	35	0.0	-27.43	313.89	6.00	-21.43
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012009398	0	37	0.0	-38.02	317.92	5.34	-32.68
COC1=CC=C(N2C=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=N2)C=C1	REAL300012009399	0	46	0.0	-32.92	384.42	8.40	-24.52
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009400	0	50	0.0	-29.40	417.18	11.28	-18.12
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012009401	0	37	0.0	-36.55	334.69	5.84	-30.71
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012009402	0	42	0.0	-30.75	344.44	9.92	-20.83
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=NC=C1Br	REAL300012009403	0	34	0.0	-30.13	305.86	6.71	-23.42
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009404	0	38	0.0	-38.28	348.35	4.55	-33.73
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012009405	0	41	0.0	-28.05	340.84	8.63	-19.42
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(F)=C1	REAL300012009406	0	40	0.0	-35.70	356.15	2.88	-32.82
CC(C)N1C=CN=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009408	0	41	0.0	-32.13	336.13	7.68	-24.45
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009409	0	37	0.0	-30.31	326.63	7.22	-23.09
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009410	0	38	0.0	-33.52	334.41	6.54	-26.98
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009411	0	42	0.0	-27.98	345.83	7.43	-20.55
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009412	0	45	0.0	-30.18	364.53	8.08	-22.10
CC1=C2C=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])NC2=CC=C1	REAL300012009413	0	42	0.0	-31.04	350.29	8.45	-22.59
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012009414	0	41	0.0	-29.17	347.35	6.96	-22.21
CC1=CC=C2C=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])NC2=C1	REAL300012009415	0	42	0.0	-31.00	350.70	8.46	-22.54
CCOC1=CN=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009416	0	41	0.0	-31.82	342.41	6.23	-25.59
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012009417	0	34	0.0	-31.01	303.95	6.64	-24.37
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012009418	0	46	0.0	-31.68	371.79	6.44	-25.24
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012009419	0	38	0.0	-33.51	321.39	6.56	-26.95
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009420	0	43	0.0	-33.30	335.63	8.21	-25.09
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012009421	0	39	0.0	-31.95	328.79	7.96	-23.99
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012009422	0	38	0.0	-38.41	327.88	5.35	-33.06
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012009423	0	37	0.0	-32.71	325.54	6.90	-25.81
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009424	0	44	0.0	-32.23	370.58	8.27	-23.96
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012009425	0	45	0.0	-41.77	371.89	5.38	-36.39
COC1=CN=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1C	REAL300012009426	0	41	0.0	-30.82	336.67	6.03	-24.79
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=C1	REAL300012009427	0	48	0.0	-31.80	387.47	10.99	-20.81
CC(C)(C)OC(=O)NC(C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-])CC(F)F	REAL300012009428	0	51	0.0	-34.42	402.71	6.64	-27.78
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012009429	0	45	0.0	-32.27	372.41	5.45	-26.82
CCCN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])N=N1	REAL300012009430	0	40	0.0	-38.87	337.14	6.04	-32.83
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009431	0	43	0.0	-28.22	355.06	7.95	-20.27
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012009432	0	39	0.0	-28.09	328.82	8.51	-19.58
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012009433	0	40	0.0	-38.67	343.54	8.26	-30.41
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1C	REAL300012009434	0	48	0.0	-32.47	384.36	10.88	-21.59
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009435	0	40	0.0	-37.62	350.36	2.78	-34.84
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012009436	0	38	0.0	-29.58	324.80	5.13	-24.45
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012009437	0	44	0.0	-25.63	350.40	8.36	-17.27
CC1=NN(C)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1Cl	REAL300012009438	0	38	0.0	-26.43	334.25	6.44	-19.99
CN1C=CC(C2=NC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CS2)=N1	REAL300012009439	0	41	0.0	-31.52	365.70	6.30	-25.22
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012009440	0	48	0.0	-28.90	383.59	8.75	-20.15
CC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1Br	REAL300012009441	0	38	0.0	-28.41	329.32	8.93	-19.48
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012009442	0	46	0.0	-30.25	391.21	10.80	-19.45
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012009443	0	43	0.0	-30.61	351.12	8.57	-22.04
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009444	0	45	0.0	-33.41	369.60	7.79	-25.62
CCC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(Cl)=NN1	REAL300012009445	0	38	0.0	-31.47	333.33	5.99	-25.48
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012009446	0	39	0.0	-26.61	343.82	6.82	-19.79
CCC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=NO1	REAL300012009447	0	40	0.0	-28.75	332.12	7.53	-21.22
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012009448	0	47	0.0	-29.94	370.01	9.12	-20.82
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012009449	0	50	0.0	-24.54	386.04	9.68	-14.86
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])O1	REAL300012009450	0	39	0.0	-31.43	330.89	7.37	-24.06
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012009451	0	34	0.0	-35.83	320.91	5.97	-29.86
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CN=C1F	REAL300012009452	0	37	0.0	-34.92	317.76	6.60	-28.32
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009453	0	37	0.0	-33.18	313.98	6.72	-26.46
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012009454	0	38	0.0	-33.08	335.33	8.78	-24.30
COC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1C	REAL300012009455	0	44	0.0	-34.78	368.29	9.06	-25.72
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=C1	REAL300012009456	0	42	0.0	-28.78	336.75	7.62	-21.16
CC1=C(Cl)C=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1Cl	REAL300012009457	0	38	0.0	-29.99	342.04	9.31	-20.68
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009458	0	36	0.0	-30.68	327.73	8.73	-21.95
CC1CC2=CC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CC=C2O1	REAL300012009459	0	43	0.0	-31.38	354.33	8.43	-22.95
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012009460	0	38	0.0	-32.55	329.18	5.44	-27.11
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012009461	0	40	0.0	-31.86	333.17	7.69	-24.17
CSCC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009462	0	42	0.0	-31.05	363.54	9.83	-21.22
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012009463	0	45	0.0	-30.75	369.66	8.69	-22.06
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009464	0	43	0.0	-30.79	352.73	5.46	-25.33
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009465	0	42	0.0	-29.55	342.02	7.27	-22.28
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012009466	0	42	0.0	-29.19	346.20	7.74	-21.45
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012009467	0	42	0.0	-30.10	344.29	7.61	-22.49
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009468	0	48	0.0	-35.95	398.97	9.44	-26.51
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009469	0	45	0.0	-30.40	381.91	8.88	-21.52
COC1=CC=C(C)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009470	0	42	0.0	-29.50	339.60	7.78	-21.72
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=C21	REAL300012009471	0	41	0.0	-31.33	335.83	9.17	-22.16
CCC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009472	0	41	0.0	-27.22	327.89	9.05	-18.17
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009473	0	45	0.0	-34.82	365.97	7.72	-27.10
CC1=CC(F)=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009474	0	38	0.0	-29.24	323.94	8.56	-20.68
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=C1C	REAL300012009475	0	44	0.0	-27.29	343.65	9.50	-17.79
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009476	0	45	0.0	-34.65	373.22	6.99	-27.66
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009477	0	47	0.0	-25.46	341.30	9.79	-15.67
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012009478	0	45	0.0	-32.27	353.47	8.25	-24.02
COC1=CC=C2SC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CC2=C1	REAL300012009479	0	42	0.0	-31.39	362.20	8.68	-22.71
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012009480	0	38	0.0	-30.90	325.57	7.54	-23.36
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009481	0	51	0.0	-35.32	408.43	9.68	-25.64
CCN1CCC2=CC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CC=C21	REAL300012009482	0	47	0.0	-29.65	375.43	8.44	-21.21
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009483	0	48	0.0	-35.74	390.29	8.80	-26.94
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=NN1C(C)C	REAL300012009484	0	44	0.0	-29.61	360.39	7.65	-21.96
CSC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1Cl	REAL300012009485	0	39	0.0	-33.90	352.67	9.33	-24.57
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012009486	0	45	0.0	-29.14	364.47	10.48	-18.66
CCOC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=N1	REAL300012009487	0	41	0.0	-30.72	345.07	5.46	-25.26
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1C1CC1	REAL300012009488	0	45	0.0	-28.23	362.56	10.45	-17.78
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C(C)=C2)C=C1	REAL300012009489	0	48	0.0	-34.87	391.28	10.15	-24.72
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012009490	0	41	0.0	-31.21	366.47	9.74	-21.47
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009491	0	45	0.0	-33.47	384.44	10.08	-23.39
CCC1=CC(Br)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009492	0	38	0.0	-25.41	350.46	9.16	-16.25
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=C2)C=C1Cl	REAL300012009493	0	45	0.0	-35.91	394.34	10.22	-25.69
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])O2)N1	REAL300012009494	0	42	0.0	-32.91	366.03	6.66	-26.25
COCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])O1	REAL300012009495	0	43	0.0	-31.02	366.64	6.62	-24.40
CC(C)(C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012009496	0	44	0.0	-32.18	366.81	10.21	-21.97
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009497	0	47	0.0	-27.97	378.72	8.17	-19.80
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012009498	0	38	0.0	-29.19	327.12	6.54	-22.65
CCN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=N1	REAL300012009499	0	41	0.0	-30.30	341.42	7.18	-23.12
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012009500	0	35	0.0	-30.02	334.13	9.01	-21.01
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=C1	REAL300012009501	0	51	0.0	-27.40	404.79	12.21	-15.19
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012009502	0	42	0.0	-32.00	350.12	7.77	-24.23
COC1=CC=CC(C2=CSC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=N2)=C1	REAL300012009503	0	45	0.0	-29.58	390.00	8.00	-21.58
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009504	0	47	0.0	-33.19	390.84	7.31	-25.88
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012009505	0	52	0.0	-35.47	410.09	9.80	-25.67
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009506	0	42	0.0	-29.66	347.37	7.51	-22.15
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009507	0	45	0.0	-33.93	366.98	10.74	-23.19
CC(C)C1=NOC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009508	0	40	0.0	-29.68	333.49	7.15	-22.53
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012009509	0	39	0.0	-25.83	344.04	6.50	-19.33
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012009510	0	45	0.0	-31.08	368.40	4.27	-26.81
COC1=NC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1F	REAL300012009511	0	38	0.0	-28.30	327.93	4.62	-23.68
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012009512	0	35	0.0	-25.67	329.57	8.77	-16.90
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012009513	0	35	0.0	-28.23	326.96	8.53	-19.70
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012009514	0	35	0.0	-37.12	312.67	7.83	-29.29
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012009515	0	47	0.0	-28.98	379.22	9.41	-19.57
CC1=C(C)SC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=N1	REAL300012009516	0	37	0.0	-30.92	321.59	6.27	-24.65
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012009517	0	44	0.0	-39.76	373.43	8.20	-31.56
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])CC1	REAL300012009518	0	55	0.0	-38.93	419.82	8.93	-30.00
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009519	0	37	0.0	-25.54	326.64	7.12	-18.42
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012009520	0	41	0.0	-34.67	371.31	5.86	-28.81
CC1OC2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=C2C1C	REAL300012009521	0	46	0.0	-31.79	370.86	8.97	-22.82
CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OC(F)F	REAL300012009522	0	42	0.0	-29.81	356.78	8.19	-21.62
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009523	0	47	0.0	-25.64	360.73	10.11	-15.53
CN1N=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012009524	0	41	0.0	-34.10	340.41	2.92	-31.18
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012009525	0	38	0.0	-33.11	335.18	5.73	-27.38
CC(C)CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])N=N1	REAL300012009526	0	43	0.0	-38.62	352.83	6.68	-31.94
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012009527	0	38	0.0	-32.03	333.28	7.08	-24.95
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012009528	0	35	0.0	-33.96	318.49	5.27	-28.69
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012009529	0	40	0.0	-30.22	333.28	7.79	-22.43
CN1C=C(Cl)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=N1	REAL300012009530	0	35	0.0	-29.34	316.89	6.06	-23.28
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=CS1	REAL300012009531	0	38	0.0	-30.00	340.98	4.93	-25.07
CSC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009532	0	39	0.0	-29.12	337.64	8.95	-20.17
CC(C)C1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])N(C)N=C1	REAL300012009533	0	44	0.0	-29.10	355.59	7.30	-21.80
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC(C)=N1	REAL300012009534	0	40	0.0	-31.85	335.55	7.32	-24.53
CC1=C(Br)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C(C)S1	REAL300012009535	0	38	0.0	-27.93	345.22	8.85	-19.08
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012009536	0	45	0.0	-28.99	381.98	9.06	-19.93
CCCN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=N1	REAL300012009537	0	44	0.0	-31.70	360.91	7.82	-23.88
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012009538	0	37	0.0	-35.07	320.05	6.66	-28.41
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012009539	0	42	0.0	-27.62	362.64	10.11	-17.51
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012009540	0	43	0.0	-31.77	357.97	8.91	-22.86
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012009541	0	39	0.0	-32.18	347.68	7.63	-24.55
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012009542	0	41	0.0	-29.78	367.30	9.78	-20.00
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=C1	REAL300012009543	0	48	0.0	-33.75	388.38	10.74	-23.01
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=C2)C=N1	REAL300012009544	0	48	0.0	-36.18	395.15	11.55	-24.63
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009545	0	42	0.0	-33.91	353.90	6.21	-27.70
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012009546	0	49	0.0	-28.87	392.41	11.89	-16.98
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009548	0	45	0.0	-33.36	375.39	7.05	-26.31
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012009549	0	41	0.0	-28.98	351.28	9.07	-19.91
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012009550	0	42	0.0	-30.51	342.38	6.77	-23.74
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009551	0	45	0.0	-31.47	376.18	9.02	-22.45
CCCN1C=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=N1	REAL300012009552	0	41	0.0	-28.76	343.35	7.19	-21.57
CC(C)N1C=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=N1	REAL300012009553	0	41	0.0	-28.35	340.54	6.96	-21.39
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009554	0	46	0.0	-31.37	368.85	8.36	-23.01
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012009555	0	38	0.0	-32.74	339.73	6.93	-25.81
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012009556	0	45	0.0	-26.71	369.29	9.90	-16.81
CN1C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=NC2=C1CCCC2	REAL300012009557	0	45	0.0	-34.35	358.80	8.50	-25.85
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009558	0	38	0.0	-26.89	337.91	5.04	-21.85
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012009559	0	38	0.0	-28.75	334.20	6.72	-22.03
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012009560	0	38	0.0	-28.37	333.27	8.79	-19.58
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012009561	0	43	0.0	-28.11	341.98	7.85	-20.26
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009562	0	42	0.0	-29.46	364.17	8.67	-20.79
COC1=NN(C)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009563	0	39	0.0	-29.11	333.14	3.68	-25.43
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012009564	0	39	0.0	-32.52	336.86	5.19	-27.33
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012009565	0	42	0.0	-31.09	356.94	7.67	-23.42
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012009566	0	42	0.0	-31.06	341.70	8.76	-22.30
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012009567	0	37	0.0	-34.71	330.73	8.64	-26.07
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012009568	0	48	0.0	-32.64	382.11	8.92	-23.72
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012009569	0	42	0.0	-29.07	371.30	9.42	-19.65
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012009570	0	35	0.0	-28.00	328.04	8.49	-19.51
CN(CCO)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=N1	REAL300012009571	0	46	0.0	-32.81	377.02	5.43	-27.38
COC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012009572	0	51	0.0	-27.55	391.13	9.61	-17.94
CN1C=C(Br)N=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009573	0	35	0.0	-27.70	317.26	6.67	-21.03
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=N1	REAL300012009574	0	41	0.0	-30.34	337.58	5.18	-25.16
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1O	REAL300012009575	0	43	0.0	-30.37	347.46	5.43	-24.94
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012009576	0	41	0.0	-41.57	352.03	6.97	-34.60
CN1C(=O)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012009577	0	44	0.0	-41.17	363.91	8.71	-32.46
COC1=NC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1C	REAL300012009578	0	41	0.0	-27.19	343.43	5.20	-21.99
CCCN1C=NC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009579	0	41	0.0	-30.42	333.48	8.60	-21.82
CC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=C1Br	REAL300012009580	0	44	0.0	-27.70	361.66	9.85	-17.85
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012009581	0	42	0.0	-37.92	354.55	7.81	-30.11
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012009582	0	48	0.0	-28.18	386.38	11.38	-16.80
CCC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=NN1CC	REAL300012009583	0	44	0.0	-29.48	351.56	7.62	-21.86
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012009584	0	35	0.0	-28.39	322.92	8.36	-20.03
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009585	0	52	0.0	-34.18	419.24	8.19	-25.99
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012009586	0	39	0.0	-31.56	327.70	6.28	-25.28
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012009587	0	39	0.0	-33.65	341.13	7.49	-26.16
COC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=CS1	REAL300012009588	0	36	0.0	-26.64	318.96	6.36	-20.28
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012009589	0	38	0.0	-32.47	335.14	7.66	-24.81
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009590	0	41	0.0	-29.85	350.63	9.46	-20.39
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012009591	0	41	0.0	-32.11	360.37	8.64	-23.47
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=N1	REAL300012009592	0	42	0.0	-36.52	356.83	5.50	-31.02
CCCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1Cl	REAL300012009593	0	44	0.0	-26.93	378.88	8.22	-18.71
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])S1	REAL300012009594	0	41	0.0	-30.96	364.10	7.19	-23.77
N#CC1=CC(F)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(Br)=C1	REAL300012009595	0	36	0.0	-30.11	340.30	8.71	-21.40
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012009596	0	35	0.0	-27.61	313.36	8.01	-19.60
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012009597	0	42	0.0	-30.97	363.01	10.29	-20.68
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009598	0	44	0.0	-31.27	358.10	6.65	-24.62
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012009599	0	41	0.0	-30.35	351.72	10.42	-19.93
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012009600	0	52	0.0	-29.93	407.01	10.70	-19.23
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009601	0	42	0.0	-27.25	339.74	9.57	-17.68
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012009602	0	55	0.0	-28.00	427.04	11.37	-16.63
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=C2)=C1	REAL300012009603	0	50	0.0	-35.07	415.62	10.10	-24.97
CCN1CCCC2=CC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=CC=C21	REAL300012009604	0	50	0.0	-28.95	385.06	8.84	-20.11
COCC1=CN=C(OC)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009605	0	45	0.0	-30.33	375.16	4.40	-25.93
CN1N=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1Br	REAL300012009606	0	35	0.0	-26.95	318.00	6.07	-20.88
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009607	0	50	0.0	-33.71	416.72	10.72	-22.99
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012009608	0	39	0.0	-32.08	327.17	9.12	-22.96
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012009609	0	38	0.0	-31.96	323.92	5.96	-26.00
COCC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009610	0	42	0.0	-28.10	341.08	7.64	-20.46
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012009611	0	48	0.0	-29.47	404.36	12.56	-16.91
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012009612	0	39	0.0	-32.31	353.85	9.32	-22.99
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012009613	0	48	0.0	-32.55	390.63	8.60	-23.95
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012009614	0	43	0.0	-30.82	351.16	7.95	-22.87
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012009615	0	39	0.0	-34.46	331.89	3.13	-31.33
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012009616	0	41	0.0	-31.26	355.96	9.95	-21.31
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012009617	0	41	0.0	-34.81	349.89	6.03	-28.78
COC1=CC=C(F)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1OC	REAL300012009618	0	43	0.0	-28.04	361.48	7.14	-20.90
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012009619	0	38	0.0	-35.11	322.19	7.36	-27.75
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=N1	REAL300012009620	0	42	0.0	-27.77	350.52	5.81	-21.96
CC1=CC=C(F)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1Br	REAL300012009621	0	38	0.0	-27.49	339.02	9.03	-18.46
C=CC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009622	0	39	0.0	-28.82	326.39	8.95	-19.87
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012009623	0	49	0.0	-31.21	395.72	10.17	-21.04
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009624	0	41	0.0	-33.85	336.65	9.34	-24.51
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC=C1OCCO	REAL300012009625	0	47	0.0	-36.82	389.42	4.90	-31.92
CCN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012009626	0	45	0.0	-31.49	372.35	8.62	-22.87
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1OCCO	REAL300012009627	0	47	0.0	-35.45	388.10	4.86	-30.59
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012009628	0	45	0.0	-29.11	380.09	6.78	-22.33
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009629	0	43	0.0	-34.86	343.77	7.58	-27.28
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012009630	0	40	0.0	-33.66	338.44	8.34	-25.32
CC1=CC2=CC=CC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=C2O1	REAL300012009631	0	41	0.0	-32.39	345.36	8.97	-23.42
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012009632	0	38	0.0	-37.48	329.09	8.95	-28.53
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012009633	0	42	0.0	-32.69	372.34	8.64	-24.05
COC1=CSC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1OC	REAL300012009634	0	40	0.0	-29.82	348.88	5.86	-23.96
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012009635	0	41	0.0	-29.75	339.99	7.94	-21.81
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012009636	0	38	0.0	-26.00	336.18	6.93	-19.07
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])SC=C1	REAL300012009637	0	38	0.0	-30.36	338.18	4.46	-25.90
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009638	0	38	0.0	-37.28	339.94	3.41	-33.87
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012009639	0	38	0.0	-27.45	339.58	8.89	-18.56
CC(C)OC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1F	REAL300012009640	0	45	0.0	-34.94	371.63	8.75	-26.19
CCN1C=C(Cl)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=N1	REAL300012009641	0	38	0.0	-28.39	337.10	6.88	-21.51
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012009642	0	35	0.0	-28.30	322.70	8.42	-19.88
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012009643	0	38	0.0	-29.58	328.28	8.76	-20.82
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012009644	0	41	0.0	-26.38	345.80	10.11	-16.27
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009645	0	38	0.0	-35.69	347.51	4.47	-31.22
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012009646	0	32	0.0	-28.80	303.13	7.45	-21.35
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012009647	0	45	0.0	-32.42	365.16	8.41	-24.01
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012009648	0	42	0.0	-32.12	371.68	9.55	-22.57
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009649	0	48	0.0	-28.14	381.38	8.88	-19.26
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012009650	0	38	0.0	-32.47	330.00	6.51	-25.96
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009651	0	45	0.0	-31.17	376.81	8.49	-22.68
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012009652	0	38	0.0	-36.88	336.83	9.31	-27.57
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012009653	0	34	0.0	-29.15	311.94	6.55	-22.60
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012009654	0	42	0.0	-33.29	362.68	9.14	-24.15
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009655	0	42	0.0	-26.23	349.95	5.91	-20.32
COC1=NC(C)=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=C1Cl	REAL300012009656	0	44	0.0	-28.66	365.83	5.98	-22.68
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009657	0	44	0.0	-28.98	372.35	8.27	-20.71
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012009658	0	42	0.0	-27.57	344.35	7.51	-20.06
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012009659	0	38	0.0	-31.67	333.70	6.76	-24.91
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012009660	0	39	0.0	-35.95	341.19	7.30	-28.65
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009661	0	51	0.0	-30.46	399.72	9.44	-21.02
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012009662	0	46	0.0	-30.87	371.55	6.47	-24.40
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009663	0	49	0.0	-29.78	390.34	7.09	-22.69
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012009664	0	45	0.0	-27.67	363.21	8.21	-19.46
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009665	0	37	0.0	-36.26	343.26	1.93	-34.33
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012009666	0	34	0.0	-25.58	320.25	6.84	-18.74
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012009667	0	50	0.0	-37.28	403.56	7.44	-29.84
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009668	0	48	0.0	-28.51	380.62	8.89	-19.62
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012009669	0	38	0.0	-34.37	320.44	8.83	-25.54
CC1=CC(Br)=C(F)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009670	0	38	0.0	-26.77	343.95	9.18	-17.59
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1Br	REAL300012009671	0	39	0.0	-30.48	337.17	7.61	-22.87
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012009672	0	38	0.0	-37.10	322.38	6.53	-30.57
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012009673	0	35	0.0	-28.42	323.14	8.44	-19.98
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009674	0	38	0.0	-28.35	317.57	8.58	-19.77
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])=C2)C=N1	REAL300012009675	0	45	0.0	-35.28	377.57	9.15	-26.13
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012009676	0	45	0.0	-39.62	382.67	10.30	-29.32
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009677	0	38	0.0	-29.83	333.58	9.16	-20.67
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009678	0	40	0.0	-30.22	345.05	7.67	-22.55
COC1=NC2=CC=C(C[NH2+]C(CC3=CN=CC(F)=C3)C(=O)[O-])C=C2S1	REAL300012009679	0	41	0.0	-32.72	360.53	5.64	-27.08
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012009680	0	34	0.0	-34.34	312.47	6.54	-27.80
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012009681	0	35	0.0	-25.49	329.57	8.83	-16.66
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009682	0	37	0.0	-29.66	322.07	7.08	-22.58
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009683	0	51	0.0	-28.21	407.89	10.24	-17.97
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009684	0	39	0.0	-30.90	343.68	7.66	-23.24
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012009685	0	38	0.0	-35.57	345.46	9.10	-26.47
COC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CC(F)=C1F	REAL300012009686	0	39	0.0	-36.51	338.15	7.25	-29.26
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009687	0	41	0.0	-27.75	340.52	6.04	-21.71
CC(C)N1C=NC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009688	0	41	0.0	-27.71	340.94	8.42	-19.29
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009689	0	42	0.0	-30.48	360.45	5.50	-24.98
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012009690	0	41	0.0	-28.45	345.32	8.22	-20.23
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1C	REAL300012009691	0	45	0.0	-32.61	377.99	7.60	-25.01
CC(C)OC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])O1	REAL300012009692	0	42	0.0	-32.01	353.34	8.17	-23.84
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009693	0	41	0.0	-27.09	346.66	9.38	-17.71
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012009694	0	36	0.0	-26.67	330.91	5.60	-21.07
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012009695	0	38	0.0	-26.73	333.44	6.86	-19.87
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009696	0	36	0.0	-35.24	323.37	8.35	-26.89
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012009697	0	51	0.0	-27.94	397.12	11.67	-16.27
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009698	0	43	0.0	-34.93	356.86	8.51	-26.42
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])SC(Br)=C1	REAL300012009699	0	35	0.0	-29.78	327.84	8.34	-21.44
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009700	0	45	0.0	-28.86	363.04	8.23	-20.63
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012009701	0	41	0.0	-30.88	349.34	7.20	-23.68
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012009702	0	43	0.0	-34.24	366.63	8.21	-26.03
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009703	0	44	0.0	-30.49	379.81	8.20	-22.29
CC(C)N1C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300012009704	0	47	0.0	-34.92	395.57	10.02	-24.90
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009705	0	42	0.0	-32.28	360.75	7.19	-25.09
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012009706	0	48	0.0	-30.85	400.21	12.40	-18.45
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009707	0	51	0.0	-33.51	414.93	9.12	-24.39
COC1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=N1	REAL300012009708	0	41	0.0	-30.27	339.53	5.21	-25.06
CCN(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C)=C1	REAL300012009709	0	49	0.0	-27.45	384.18	9.88	-17.57
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012009710	0	34	0.0	-28.54	318.91	6.96	-21.58
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012009711	0	32	0.0	-26.78	318.91	7.96	-18.82
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009712	0	56	0.0	-25.24	421.55	9.86	-15.38
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009713	0	46	0.0	-27.30	373.84	7.19	-20.11
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012009714	0	38	0.0	-31.02	324.11	8.64	-22.38
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012009715	0	39	0.0	-33.42	359.47	8.21	-25.21
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012009716	0	38	0.0	-31.15	334.35	9.30	-21.85
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012009717	0	44	0.0	-33.60	366.84	9.61	-23.99
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1CO	REAL300012009718	0	39	0.0	-28.65	318.83	5.24	-23.41
CC1=NSC(C)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009719	0	37	0.0	-29.20	319.01	6.67	-22.53
CC(C)(C)C1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=NO1	REAL300012009720	0	43	0.0	-26.77	337.28	7.72	-19.05
CC1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1C(F)(F)F	REAL300012009721	0	41	0.0	-34.67	342.33	9.56	-25.11
C=CCN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=N1	REAL300012009722	0	39	0.0	-34.04	334.59	7.09	-26.95
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012009723	0	38	0.0	-36.39	322.37	6.53	-29.86
CCC(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=C1	REAL300012009724	0	47	0.0	-28.04	373.94	10.46	-17.58
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012009725	0	37	0.0	-33.31	339.21	7.17	-26.14
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012009726	0	40	0.0	-34.17	361.88	8.16	-26.01
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012009727	0	42	0.0	-26.99	357.05	6.47	-20.52
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009728	0	48	0.0	-34.62	395.57	10.42	-24.20
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=N1	REAL300012009729	0	40	0.0	-34.08	345.21	7.84	-26.24
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012009730	0	35	0.0	-27.09	328.25	8.55	-18.54
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012009731	0	45	0.0	-27.45	352.77	10.30	-17.15
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012009732	0	37	0.0	-33.92	345.61	9.19	-24.73
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009733	0	42	0.0	-32.81	355.97	9.79	-23.02
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012009734	0	38	0.0	-37.33	340.93	8.88	-28.45
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012009735	0	41	0.0	-37.81	349.79	7.85	-29.96
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012009736	0	44	0.0	-28.65	350.93	10.51	-18.14
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009737	0	53	0.0	-30.85	421.82	9.49	-21.36
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009738	0	43	0.0	-27.89	358.36	7.35	-20.54
CC1=NC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C(C)S1	REAL300012009739	0	37	0.0	-24.65	319.75	6.24	-18.41
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012009740	0	48	0.0	-31.01	382.87	4.87	-26.14
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009741	0	47	0.0	-28.52	384.31	6.47	-22.05
CCCN1N=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1C	REAL300012009742	0	44	0.0	-29.85	362.13	7.73	-22.12
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012009743	0	52	0.0	-24.70	407.09	10.11	-14.59
O=C([O-])C(CC1=CN=CC(F)=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012009744	0	49	0.0	-26.61	409.46	11.43	-15.18
CC1=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012009745	0	43	0.0	-25.63	350.80	8.93	-16.70
CC1=CC(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012009746	0	44	0.0	-34.46	367.69	9.14	-25.32
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1	REAL300012009747	0	42	0.0	-32.96	359.36	8.05	-24.91
COC1=CC=C(Br)C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])=C1O	REAL300012009748	0	40	0.0	-27.39	354.42	5.61	-21.78
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CN=CC(F)=C1)C(=O)[O-]	REAL300012009749	0	44	0.0	-27.65	356.22	7.71	-19.94
CN1C=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012009750	0	45	0.0	-29.92	368.61	8.37	-21.55
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CN=CC(F)=C2)C(=O)[O-])O1	REAL300012009751	1	43	0.0	-29.77	356.64	5.35	-24.42
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OCC1=CC=CC=C1	REAL300012009753	0	48	0.0	-35.67	405.36	11.00	-24.67
CC(C)(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012009756	0	42	0.0	-29.49	341.04	10.16	-19.33
O=C([O-])C([NH2+]CC1=CNN=C1C1=CC=CC=C1)C1=CSC=C1	REAL300012009757	1	37	0.0	-31.70	317.73	7.54	-24.16
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=C2)C=C1	REAL300012009759	0	48	0.0	-38.54	406.28	9.14	-29.40
N#CCCN1C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C2=CC=CC=C2)=N1	REAL300012009761	1	44	0.0	-33.62	387.89	10.40	-23.22
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OC(F)F	REAL300012009762	0	38	0.0	-35.50	333.35	7.31	-28.19
CCCOC1=CC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012009765	0	40	0.0	-29.35	357.63	9.54	-19.81
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OC	REAL300012009766	0	41	0.0	-34.63	346.77	7.98	-26.65
CCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012009768	0	46	0.0	-31.53	380.69	10.42	-21.11
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1Br	REAL300012009771	0	34	0.0	-35.37	316.09	7.83	-27.54
CCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC	REAL300012009773	0	47	0.0	-34.07	388.45	9.53	-24.54
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC	REAL300012009774	0	44	0.0	-34.08	366.95	8.75	-25.33
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC	REAL300012009775	0	42	0.0	-33.71	359.67	8.57	-25.14
CCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC	REAL300012009776	0	53	0.0	-34.37	432.76	11.13	-23.24
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C1=CSC=C1	REAL300012009780	1	37	0.0	-32.45	348.78	11.09	-21.36
CCC1=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C2=CC=CC=C2O1	REAL300012009782	1	39	0.0	-27.12	329.33	9.75	-17.37
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012009784	0	49	0.0	-32.98	408.03	8.97	-24.01
O=C([O-])C([NH2+]CC1=CC=CC=C1OC(F)(F)F)C1=CSC=C1	REAL300012009786	0	34	0.0	-26.41	310.73	7.73	-18.68
O=C([O-])C([NH2+]CC1=CC=C(SC(F)(F)F)C=C1)C1=CSC=C1	REAL300012009787	0	34	0.0	-30.85	321.24	9.30	-21.55
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(Cl)=C1	REAL300012009789	0	34	0.0	-25.76	306.42	7.53	-18.23
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1)C1=CSC=C1	REAL300012009790	0	34	0.0	-31.30	310.84	7.63	-23.67
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1)C1=CSC=C1	REAL300012009791	1	39	0.0	-37.66	360.25	11.25	-26.41
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C1=CSC=C1	REAL300012009792	1	39	0.0	-41.84	362.74	11.36	-30.48
O=C([O-])C([NH2+]CC1=CNN=C1C1=CC=C(F)C=C1)C1=CSC=C1	REAL300012009793	0	37	0.0	-34.08	327.76	7.76	-26.32
CC1=CC=C(C2=NNC=C2C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012009794	1	40	0.0	-28.15	342.05	8.34	-19.81
O=C([O-])C([NH2+]CC1=CNN=C1C1=CC=CS1)C1=CSC=C1	REAL300012009795	1	34	0.0	-32.74	301.27	6.72	-26.02
COC1=CC=C(C2=NNC=C2C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012009796	1	41	0.0	-30.04	352.00	7.02	-23.02
O=C([O-])C([NH2+]CC1=CSC2=CC=CC=C12)C1=CSC=C1	REAL300012009797	1	33	0.0	-29.75	303.04	9.24	-20.51
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2OC1)C1=CSC=C1	REAL300012009799	0	36	0.0	-32.57	312.21	8.35	-24.22
CC1=CC=C(C2=NNC=C2C[NH2+]C(C(=O)[O-])C2=CSC=C2)O1	REAL300012009801	0	37	0.0	-28.45	327.24	6.97	-21.48
O=C([O-])C([NH2+]CC1=CNN=C1C1=CC=CN=C1)C1=CSC=C1	REAL300012009802	0	36	0.0	-30.49	315.19	5.88	-24.61
O=C([O-])C([NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1)C1=CSC=C1	REAL300012009803	0	43	0.0	-31.22	364.76	6.80	-24.42
O=C([O-])C([NH2+]CC1=CC=C(OCC2CCCO2)C=C1)C1=CSC=C1	REAL300012009804	0	45	0.0	-33.22	374.46	8.47	-24.75
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1)C1=CSC=C1	REAL300012009805	1	37	0.0	-33.73	340.39	10.71	-23.02
O=C([O-])C([NH2+]CC1=CC=C(N2C=CC=N2)C=C1)C1=CSC=C1	REAL300012009808	1	37	0.0	-34.65	324.49	9.07	-25.58
O=C([O-])C([NH2+]CC1=CC=C(N2C=NC=N2)C=C1)C1=CSC=C1	REAL300012009809	0	36	0.0	-39.75	318.14	10.36	-29.39
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1)C1=CSC=C1	REAL300012009811	1	37	0.0	-34.10	350.77	11.17	-22.93
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OCC1=CC=NC=C1	REAL300012009812	0	47	0.0	-36.50	401.56	9.27	-27.23
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2F)S1)C1=CSC=C1	REAL300012009813	1	37	0.0	-35.33	343.17	10.82	-24.51
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C1=CSC=C1	REAL300012009814	0	33	0.0	-29.76	315.53	9.31	-20.45
O=C([O-])C([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C1=CSC=C1	REAL300012009815	0	33	0.0	-37.54	309.17	8.88	-28.66
O=C([O-])C([NH2+]CC1=CC(Cl)=CC=C1Cl)C1=CSC=C1	REAL300012009816	0	30	0.0	-28.72	292.02	8.72	-20.00
O=C([O-])C([NH2+]CC1=CC=C(F)C=C1C(F)(F)F)C1=CSC=C1	REAL300012009817	0	33	0.0	-35.26	299.24	8.93	-26.33
O=C([O-])C([NH2+]CC1=CC(F)=C(F)C(F)=C1)C1=CSC=C1	REAL300012009818	0	30	0.0	-36.50	285.16	8.05	-28.45
O=C([O-])C([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C1=CSC=C1	REAL300012009819	0	33	0.0	-33.95	311.29	8.93	-25.02
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=CC=C1F)C1=CSC=C1	REAL300012009820	0	33	0.0	-32.39	309.39	8.91	-23.48
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(Cl)=C1OC	REAL300012009821	0	38	0.0	-27.46	338.83	7.57	-19.89
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CSC=C1	REAL300012009822	1	33	0.0	-32.27	301.62	9.33	-22.94
O=C([O-])C([NH2+]CC1=CC(Cl)=CC=C1OC(F)F)C1=CSC=C1	REAL300012009824	0	34	0.0	-30.13	319.47	7.99	-22.14
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C1=CSC=C1	REAL300012009825	1	37	0.0	-33.67	348.79	11.08	-22.59
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=C2)=C1	REAL300012009826	1	45	0.0	-34.73	396.95	11.51	-23.22
O=C([O-])C([NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1)C1=CSC=C1	REAL300012009827	0	40	0.0	-35.74	347.28	6.35	-29.39
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OCC(F)(F)F	REAL300012009828	0	41	0.0	-35.75	366.34	8.45	-27.30
O=C([O-])C([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=CSC=C1	REAL300012009829	0	43	0.0	-35.42	370.99	9.34	-26.08
O=C([O-])C([NH2+]CC1=CC(Br)=C2OCCOC2=C1)C1=CSC=C1	REAL300012009830	0	36	0.0	-33.52	329.08	7.62	-25.90
O=C([O-])C([NH2+]CC1=CC(Br)=C2OCCCOC2=C1)C1=CSC=C1	REAL300012009831	0	39	0.0	-34.61	347.51	8.39	-26.22
O=C([O-])C([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C1=CSC=C1	REAL300012009832	1	40	0.0	-35.18	363.74	9.96	-25.22
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012009834	1	41	0.0	-35.07	349.83	7.33	-27.74
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1Cl	REAL300012009835	0	34	0.0	-35.37	311.70	7.72	-27.65
O=C([O-])C([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C1=CSC=C1	REAL300012009839	1	37	0.0	-32.01	337.07	8.55	-23.46
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012009843	1	40	0.0	-32.48	337.70	8.86	-23.62
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C1=CSC=C1	REAL300012009844	1	37	0.0	-29.71	330.89	10.41	-19.30
O=C([O-])C([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C1=CSC=C1	REAL300012009845	0	44	0.0	-29.46	360.23	10.06	-19.40
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012009846	0	40	0.0	-30.38	334.09	8.69	-21.69
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012009847	1	43	0.0	-28.75	375.01	9.86	-18.89
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C1=CSC=C1	REAL300012009849	0	44	0.0	-31.68	381.12	11.31	-20.37
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C1=CSC=C1	REAL300012009857	1	37	0.0	-34.64	338.47	10.64	-24.00
CC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)S2)C=C1	REAL300012009861	1	40	0.0	-32.82	355.38	11.32	-21.50
COC1=CC(OC)=CC(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=C2)=C1	REAL300012009862	0	49	0.0	-35.46	415.53	9.40	-26.06
O=C([O-])C([NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F)C1=CSC=C1	REAL300012009863	1	36	0.0	-33.45	330.94	8.14	-25.31
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012009864	0	34	0.0	-26.65	326.48	8.22	-18.43
O=C([O-])C([NH2+]CC1=CC(Br)=CC=C1Cl)C1=CSC=C1	REAL300012009865	0	30	0.0	-28.56	296.59	8.82	-19.74
O=C([O-])C([NH2+]CC1=CC(Cl)=CC=C1Br)C1=CSC=C1	REAL300012009866	0	30	0.0	-27.89	294.01	8.78	-19.11
O=C([O-])C([NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)C1=CSC=C1	REAL300012009867	0	41	0.0	-31.52	366.37	10.83	-20.69
CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC	REAL300012009868	0	45	0.0	-35.48	379.92	7.92	-27.56
COCCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012009869	1	44	0.0	-30.94	371.35	7.93	-23.01
COC1=CC=C(OC(F)F)C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012009870	0	38	0.0	-30.52	332.21	6.75	-23.77
O=C([O-])C([NH2+]CC1=CC=CC(Br)=C1OC(F)F)C1=CSC=C1	REAL300012009871	0	34	0.0	-30.95	318.98	8.07	-22.88
O=C([O-])C([NH2+]CC1=C(Cl)C=CC=C1OC(F)F)C1=CSC=C1	REAL300012009872	1	34	0.0	-28.67	315.14	7.82	-20.85
O=C([O-])C([NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1)C1=CSC=C1	REAL300012009873	1	50	0.0	-34.70	420.43	12.70	-22.00
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OC1=CC=CN=C1	REAL300012009874	0	43	0.0	-34.63	368.00	9.54	-25.09
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=CSC=C1	REAL300012009877	0	35	0.0	-27.11	320.75	8.82	-18.29
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CN=C12)C1=CSC=C1	REAL300012009878	0	35	0.0	-33.33	310.22	8.41	-24.92
O=C([O-])C([NH2+]CC1=CC(F)=CC2=CC=CN=C21)C1=CSC=C1	REAL300012009879	0	35	0.0	-27.63	310.46	8.38	-19.25
O=C([O-])C([NH2+]CC1=CC=C(Cl)C2=CC=CN=C12)C1=CSC=C1	REAL300012009880	0	35	0.0	-32.91	319.09	8.80	-24.11
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(OC(F)F)=C1	REAL300012009884	0	38	0.0	-30.98	333.52	6.79	-24.19
O=C([O-])C([NH2+]CC=CC1=CC=C(Cl)C=C1)C1=CSC=C1	REAL300012009886	0	34	0.0	-33.69	312.60	9.65	-24.04
CC1=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C2=CC=CC=C2O1	REAL300012009887	1	36	0.0	-28.39	312.07	8.94	-19.45
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1Br	REAL300012009889	0	33	0.0	-29.15	304.34	9.02	-20.13
O=C([O-])C([NH2+]CC=CC1=CC=C(F)C=C1F)C1=CSC=C1	REAL300012009890	0	34	0.0	-38.14	309.11	9.26	-28.88
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1Br	REAL300012009891	0	33	0.0	-31.51	305.67	9.05	-22.46
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=C1OCC2)C1=CSC=C1	REAL300012009893	0	35	0.0	-27.43	316.71	8.14	-19.29
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CSC=C1	REAL300012009894	1	34	0.0	-35.78	304.55	7.88	-27.90
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CSC=C1	REAL300012009895	1	34	0.0	-33.66	304.45	7.88	-25.78
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC2=CC=CN=C12	REAL300012009896	1	38	0.0	-33.51	327.39	9.05	-24.46
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012009899	0	50	0.0	-24.24	389.06	10.99	-13.25
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=C2C)=C1	REAL300012009901	1	53	0.0	-32.55	442.93	13.43	-19.12
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1C	REAL300012009902	1	53	0.0	-31.50	433.42	13.28	-18.22
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012009903	0	48	0.0	-31.74	399.66	12.60	-19.14
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1F	REAL300012009905	0	44	0.0	-34.53	364.12	8.89	-25.64
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1C#N	REAL300012009909	0	35	0.0	-41.63	315.88	7.58	-34.05
O=C([O-])C([NH2+]CC1=CC=C(SC(F)F)C=C1)C1=CSC=C1	REAL300012009910	0	34	0.0	-33.04	314.03	9.06	-23.98
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012009911	0	36	0.0	-28.43	315.85	9.42	-19.01
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C1=CSC=C1	REAL300012009912	0	34	0.0	-34.25	310.33	7.48	-26.77
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012009913	0	36	0.0	-31.08	320.01	9.50	-21.58
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC(Cl)=C1OC	REAL300012009914	0	38	0.0	-35.55	344.86	7.70	-27.85
O=C([O-])C([NH2+]CC1=CC(Br)=CC=C1OC(F)F)C1=CSC=C1	REAL300012009915	0	34	0.0	-30.00	324.03	8.09	-21.91
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OCC(C)C	REAL300012009917	0	47	0.0	-32.65	387.05	9.43	-23.22
CCCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OC	REAL300012009918	0	44	0.0	-33.20	368.27	8.78	-24.42
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC(Cl)=C1OC	REAL300012009920	0	41	0.0	-35.07	364.79	8.55	-26.52
C=CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012009921	1	38	0.0	-29.81	330.40	8.68	-21.13
CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC	REAL300012009923	0	41	0.0	-35.43	366.72	8.65	-26.78
CCCCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OC	REAL300012009925	0	47	0.0	-32.90	388.45	9.53	-23.37
CCCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OCC	REAL300012009926	0	47	0.0	-34.84	408.15	10.31	-24.53
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC(F)F	REAL300012009928	0	38	0.0	-31.37	333.35	7.32	-24.05
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OC(F)F	REAL300012009929	0	41	0.0	-35.58	356.52	8.26	-27.32
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC(C)=C1OC(F)F	REAL300012009930	1	40	0.0	-33.32	344.69	8.92	-24.40
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC2=C1OCCO2	REAL300012009932	0	40	0.0	-33.64	337.93	6.82	-26.82
CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1OC(F)F	REAL300012009935	0	41	0.0	-29.42	355.07	8.45	-20.97
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2)S1)C1=CSC=C1	REAL300012009937	1	37	0.0	-32.38	332.66	10.61	-21.77
CCCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC	REAL300012009938	0	44	0.0	-34.61	386.29	9.39	-25.22
CC(CCC1=CC=CC=C1)C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012009943	0	42	0.0	-32.50	345.17	10.73	-21.77
O=C([O-])C([NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1)C1=CSC=C1	REAL300012009947	1	37	0.0	-32.31	334.33	8.06	-24.25
O=C([O-])C([NH2+]CC1=CC=C(N2C=CN=C2)C=C1)C1=CSC=C1	REAL300012009948	1	37	0.0	-36.25	320.17	10.18	-26.07
O=C([O-])C([NH2+]CC1=CC(Cl)=C2OCCOC2=C1)C1=CSC=C1	REAL300012009950	0	36	0.0	-33.62	324.71	7.49	-26.13
CCCCC1=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C2=CC=CC=C2O1	REAL300012009951	1	45	0.0	-27.35	374.25	11.37	-15.98
O=C([O-])C([NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C1=CSC=C1	REAL300012009952	1	43	0.0	-38.11	373.07	12.53	-25.58
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OCC1=CC=CS1	REAL300012009953	0	45	0.0	-34.84	396.91	10.11	-24.73
O=C([O-])C([NH2+]CC1=CC(Cl)=C2OCCCOC2=C1)C1=CSC=C1	REAL300012009955	0	39	0.0	-34.79	343.12	8.27	-26.52
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C1=CSC=C1	REAL300012009956	1	44	0.0	-31.06	390.57	11.73	-19.33
O=C([O-])C([NH2+]CC1CCC(C(F)(F)F)CC1)C1=CSC=C1	REAL300012009957	0	39	0.0	-32.78	316.22	8.84	-23.94
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C1=CSC=C1	REAL300012009958	0	37	0.0	-35.05	342.00	8.60	-26.45
CCSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012009961	1	37	0.0	-29.35	327.82	9.72	-19.63
O=C([O-])C([NH2+]CC1=C(O)C=CC(Cl)=C1F)C1=CSC=C1	REAL300012009962	1	31	0.0	-35.77	296.01	5.56	-30.21
COCCC1(C[NH2+]C(C(=O)[O-])C2=CSC=C2)CCCCC1	REAL300012009964	0	46	0.0	-29.99	343.17	8.04	-21.95
O=C([O-])C([NH2+]CC1=CC(Br)=C(Cl)S1)C1=CSC=C1	REAL300012009965	0	27	0.0	-31.55	293.88	8.17	-23.38
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1[N+](=O)[O-]	REAL300012009966	0	47	0.0	-37.03	401.68	12.82	-24.21
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012009967	0	40	0.0	-31.53	337.69	8.86	-22.67
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OC(C)C	REAL300012009973	0	44	0.0	-34.10	363.39	8.57	-25.53
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OCC	REAL300012009974	0	47	0.0	-32.74	388.80	9.67	-23.07
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1[N+](=O)[O-]	REAL300012009975	0	35	0.0	-41.71	309.06	9.03	-32.68
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012009977	0	40	0.0	-30.79	334.12	8.68	-22.11
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012009978	0	52	0.0	-31.40	423.69	11.98	-19.42
CC(C[NH2+]C(C(=O)[O-])C1=CSC=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012009979	0	51	0.0	-30.79	397.80	12.20	-18.59
O=C([O-])C([NH2+]CC1=CC(F)=CC=C1Br)C1=CSC=C1	REAL300012009982	1	30	0.0	-28.38	283.68	8.34	-20.04
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012009983	1	42	0.0	-29.49	345.99	10.52	-18.97
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=C2)C=C1	REAL300012009984	1	43	0.0	-31.14	361.78	11.95	-19.19
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1[N+](=O)[O-]	REAL300012009986	0	36	0.0	-37.41	321.69	8.60	-28.81
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CSC=C1	REAL300012009987	0	30	0.0	-31.09	298.30	8.84	-22.25
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012009989	1	43	0.0	-30.20	360.89	11.91	-18.29
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=CSC=C1	REAL300012009990	0	36	0.0	-33.57	341.69	9.77	-23.80
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CSC=C1	REAL300012009991	0	34	0.0	-32.28	304.07	7.41	-24.87
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OCC	REAL300012009992	0	44	0.0	-33.41	368.62	8.90	-24.51
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=CSC=C1	REAL300012009993	0	33	0.0	-37.13	318.06	9.28	-27.85
O=C([O-])C([NH2+]CC1=CC=C(F)C=C1Br)C1=CSC=C1	REAL300012009994	1	30	0.0	-25.13	286.93	8.41	-16.72
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CSC=C1	REAL300012009995	0	34	0.0	-30.43	310.82	7.63	-22.80
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012009996	1	44	0.0	-31.88	373.06	10.90	-20.98
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C2=CC=CC=C12	REAL300012009998	0	40	0.0	-30.29	335.46	9.35	-20.94
O=C([O-])C([NH2+]CC1=CSC(Br)=C1)C1=CSC=C1	REAL300012010002	0	27	0.0	-29.87	277.79	7.55	-22.32
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OCC1=CC=CN=C1	REAL300012010003	0	47	0.0	-36.78	400.20	9.22	-27.56
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1)C1=CSC=C1	REAL300012010004	1	37	0.0	-35.23	365.87	11.61	-23.62
O=C([O-])C([NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1)C1=CSC=C1	REAL300012010005	0	43	0.0	-30.66	385.68	9.87	-20.79
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C(C2=CC=CC=C2)C=C1OC	REAL300012010006	0	48	0.0	-28.55	397.73	10.46	-18.09
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1)C1=CSC=C1	REAL300012010007	1	40	0.0	-30.78	339.03	11.24	-19.54
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CSC=C1	REAL300012010009	0	41	0.0	-33.76	340.08	7.77	-25.99
O=C([O-])C([NH2+]CC1=CC=C(Br)C(F)=C1)C1=CSC=C1	REAL300012010010	0	30	0.0	-32.29	293.18	8.53	-23.76
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)C1=CSC=C1	REAL300012010011	1	39	0.0	-30.49	337.89	9.74	-20.75
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CSC=C1	REAL300012010012	1	39	0.0	-35.09	334.07	9.47	-25.62
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CSC=C1	REAL300012010013	1	39	0.0	-34.70	335.59	9.52	-25.18
CN1CCN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=C2)CC1	REAL300012010015	1	47	0.0	-30.80	374.06	6.54	-24.26
O=C([O-])C([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=CSC=C1	REAL300012010016	0	39	0.0	-34.42	345.54	6.29	-28.13
CNC(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010017	0	37	0.0	-40.23	321.31	6.12	-34.11
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010021	0	43	0.0	-33.10	375.88	10.18	-22.92
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC(C)=C1OCC1=CC=CC=N1	REAL300012010023	1	49	0.0	-33.67	412.00	10.96	-22.71
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1=CSC=C1	REAL300012010024	0	37	0.0	-34.82	335.77	8.52	-26.30
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OCC1=CC=CC=C1	REAL300012010025	0	51	0.0	-34.29	427.21	11.93	-22.36
CC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1[N+](=O)[O-]	REAL300012010027	0	41	0.0	-42.29	351.27	10.37	-31.92
O=C([O-])C([NH2+]CC1=CC(Br)=C2OCOC2=C1)C1=CSC=C1	REAL300012010028	0	33	0.0	-34.39	312.23	7.11	-27.28
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OCC(C)C	REAL300012010031	0	50	0.0	-32.88	410.22	10.38	-22.50
O=C([O-])C([NH2+]CC1=CC(Br)=CC=C1F)C1=CSC=C1	REAL300012010032	0	30	0.0	-31.25	291.70	8.48	-22.77
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1F)C1=CSC=C1	REAL300012010034	0	30	0.0	-26.52	291.10	8.44	-18.08
COC1=CC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=C2C=C1	REAL300012010036	1	40	0.0	-34.50	341.60	9.41	-25.09
O=C([O-])C([NH2+]CC1=CC(Br)=CS1)C1=CSC=C1	REAL300012010038	1	27	0.0	-29.71	276.54	7.56	-22.15
CCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OCC	REAL300012010039	0	50	0.0	-33.92	410.30	10.45	-23.47
COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1OC(F)F	REAL300012010041	0	38	0.0	-31.55	330.65	7.50	-24.05
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2NC1=O)C1=CSC=C1	REAL300012010044	0	36	0.0	-28.04	315.21	6.88	-21.16
O=C([O-])C([NH2+]CC1=CC=C(F)C(Br)=C1)C1=CSC=C1	REAL300012010046	0	30	0.0	-31.71	291.86	8.49	-23.22
CC1=CC=C(COC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=C2)C=C1	REAL300012010047	0	47	0.0	-32.64	398.81	11.82	-20.82
O=C([O-])C([NH2+]CC1=CC=C(N2CCCCC2)C=C1)C1=CSC=C1	REAL300012010048	0	45	0.0	-30.20	357.76	9.12	-21.08
CCCCCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010049	1	49	0.0	-29.10	402.17	11.20	-17.90
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1SC	REAL300012010050	0	38	0.0	-33.91	333.76	8.18	-25.73
N#CCCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010051	1	41	0.0	-37.15	359.85	9.41	-27.74
CCCCCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OC	REAL300012010052	0	50	0.0	-32.80	409.95	10.31	-22.49
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OC	REAL300012010053	0	47	0.0	-33.02	385.45	9.40	-23.62
CCCCCCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010054	1	52	0.0	-29.38	424.99	12.01	-17.37
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OCCCC#N	REAL300012010055	0	45	0.0	-43.06	389.13	9.30	-33.76
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OC	REAL300012010056	0	45	0.0	-33.60	377.77	9.31	-24.29
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OCCC(C)C	REAL300012010057	0	50	0.0	-33.17	407.34	10.09	-23.08
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010061	1	40	0.0	-33.87	363.55	6.38	-27.49
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OCC(F)(F)F	REAL300012010062	0	44	0.0	-35.21	386.87	9.33	-25.88
O=C([O-])C([NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1)C1=CSC=C1	REAL300012010065	0	43	0.0	-35.36	358.90	6.97	-28.39
CN1C=NC2=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=CC=C21	REAL300012010066	1	36	0.0	-38.56	313.22	9.18	-29.38
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1Cl	REAL300012010067	0	38	0.0	-31.30	345.14	9.19	-22.11
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=CC=C2O1	REAL300012010070	0	41	0.0	-31.73	341.65	9.05	-22.68
CC1=CC=CC(C2=NNC=C2C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010073	1	40	0.0	-31.75	339.10	8.21	-23.54
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)C1=CSC=C1	REAL300012010074	0	33	0.0	-32.97	320.29	9.33	-23.64
O=C([O-])C([NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1)C1=CSC=C1	REAL300012010075	0	33	0.0	-32.81	324.86	9.43	-23.38
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1Cl)C1=CSC=C1	REAL300012010076	0	30	0.0	-25.27	298.23	8.85	-16.42
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010078	0	43	0.0	-31.35	357.80	9.56	-21.79
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010079	0	41	0.0	-34.20	349.82	7.33	-26.87
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010080	0	45	0.0	-33.89	393.56	11.53	-22.36
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C1=CSC=C1	REAL300012010081	0	34	0.0	-33.29	320.13	7.95	-25.34
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010085	1	43	0.0	-29.44	359.10	9.59	-19.85
O=C([O-])C([NH2+]CC1=CN=CC(Br)=C1)C1=CSC=C1	REAL300012010086	0	29	0.0	-32.25	282.31	6.68	-25.57
CN1N=NC2=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=CC=C21	REAL300012010087	0	35	0.0	-42.09	310.13	6.31	-35.78
O=C([O-])C([NH2+]CC1=CC(Br)=CC2=C1OCC2)C1=CSC=C1	REAL300012010089	0	35	0.0	-27.45	321.28	8.25	-19.20
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C2=CC=CC=C2)=N1	REAL300012010090	1	40	0.0	-28.99	345.50	9.02	-19.97
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CSC=C1	REAL300012010091	0	37	0.0	-38.84	323.20	9.03	-29.81
CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010092	1	30	0.0	-31.67	295.73	8.23	-23.44
O=C([O-])C([NH2+]CC1=CC=C(Br)C2=CC=CN=C12)C1=CSC=C1	REAL300012010093	0	35	0.0	-32.87	323.13	8.89	-23.98
CC1=NC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=C2C=C1	REAL300012010094	1	38	0.0	-36.56	328.84	8.83	-27.73
COC1=CC=C(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=C2)C=C1	REAL300012010095	0	45	0.0	-34.35	384.35	10.01	-24.34
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=C2)=C1	REAL300012010097	1	46	0.0	-31.52	381.24	12.53	-18.99
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1N1C=NC=N1	REAL300012010098	1	39	0.0	-36.24	339.23	11.37	-24.87
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CSC=C1	REAL300012010100	0	37	0.0	-37.13	329.21	8.38	-28.75
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)C1=CSC=C1	REAL300012010102	1	44	0.0	-35.15	383.85	11.21	-23.94
O=C([O-])C([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1=CSC=C1	REAL300012010104	0	41	0.0	-32.60	365.44	11.93	-20.67
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C(OC(F)F)C=C1C	REAL300012010105	0	40	0.0	-29.10	343.12	8.72	-20.38
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC	REAL300012010106	0	41	0.0	-32.52	337.74	7.60	-24.92
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010110	1	39	0.0	-28.43	347.22	7.48	-20.95
O=C([O-])C([NH2+]CC1=CNN=C1C1=CSC=C1)C1=CSC=C1	REAL300012010111	1	34	0.0	-32.56	312.26	6.72	-25.84
CSC1=CC(Br)=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010112	0	34	0.0	-25.41	321.24	9.33	-16.08
CC(C)(C)C1CCC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)CC1	REAL300012010115	0	48	0.0	-31.01	347.19	9.90	-21.11
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(Br)=C1)C1=CSC=C1	REAL300012010116	0	34	0.0	-33.43	325.84	8.10	-25.33
O=C([O-])C([NH2+]CC1=CC=C(OCC2CC2)C=C1)C1=CSC=C1	REAL300012010121	0	41	0.0	-31.02	347.85	9.64	-21.38
O=C([O-])C([NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl)C1=CSC=C1	REAL300012010122	0	41	0.0	-25.90	374.00	11.25	-14.65
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1Cl	REAL300012010123	0	34	0.0	-28.21	324.34	8.16	-20.05
CC1=CC(Br)=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010128	0	33	0.0	-29.84	302.24	9.09	-20.75
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(Br)=C1)C1=CSC=C1	REAL300012010129	0	30	0.0	-31.37	302.30	8.94	-22.43
O=C([O-])C([NH2+]CC1=CNN=C1C1=CC=CC=C1F)C1=CSC=C1	REAL300012010130	0	37	0.0	-31.14	329.00	7.80	-23.34
O=C([O-])C([NH2+]CC1=CC=C(Cl)C=C1Br)C1=CSC=C1	REAL300012010134	0	30	0.0	-25.38	299.18	8.92	-16.46
COC1=C(Br)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010135	0	34	0.0	-31.34	315.29	7.95	-23.39
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C2=CC=CS2)=N1	REAL300012010136	1	37	0.0	-26.55	330.90	8.24	-18.31
O=C([O-])C([NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1)C1=CSC=C1	REAL300012010137	0	44	0.0	-26.92	374.14	10.56	-16.36
O=C([O-])C([NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1)C1=CSC=C1	REAL300012010140	0	45	0.0	-34.41	389.96	9.13	-25.28
O=C([O-])C([NH2+]CC1=CC=C2OCCOC2=C1)C1=CSC=C1	REAL300012010144	0	36	0.0	-31.87	309.35	6.99	-24.88
O=C([O-])C([NH2+]CC1=CC=CC(Br)=C1)C1=CSC=C1	REAL300012010145	0	30	0.0	-29.70	287.43	8.48	-21.22
CC(=O)NC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010148	1	37	0.0	-39.15	321.20	6.72	-32.43
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010149	0	44	0.0	-29.59	359.97	10.14	-19.45
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1)C1=CSC=C1	REAL300012010150	0	30	0.0	-31.30	286.13	8.46	-22.84
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC(OC)=C1OC	REAL300012010151	0	42	0.0	-35.51	358.06	6.98	-28.53
O=C([O-])C([NH2+]CC1=CC=CC=C1OC(F)F)C1=CSC=C1	REAL300012010152	0	34	0.0	-29.26	304.05	7.50	-21.76
O=C([O-])C([NH2+]CC1=CC=C(Cl)C=C1Cl)C1=CSC=C1	REAL300012010154	0	30	0.0	-25.97	295.59	8.82	-17.15
O=C([O-])C([NH2+]CC1=CC=C(N2CCOCC2)C=C1)C1=CSC=C1	REAL300012010155	0	43	0.0	-32.20	350.14	6.70	-25.50
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC	REAL300012010156	0	38	0.0	-34.46	323.60	7.03	-27.43
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1)C1=CSC=C1	REAL300012010158	0	33	0.0	-33.26	304.87	8.87	-24.39
O=C([O-])C([NH2+]CC1=CC=CC(Cl)=C1Cl)C1=CSC=C1	REAL300012010159	0	30	0.0	-32.96	291.94	8.78	-24.18
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(Cl)=C1)C1=CSC=C1	REAL300012010160	0	30	0.0	-31.58	298.08	8.83	-22.75
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010161	0	51	0.0	-30.30	414.27	12.92	-17.38
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C=C1)C1=CSC=C1	REAL300012010162	0	34	0.0	-34.05	303.46	7.38	-26.67
O=C([O-])C([NH2+]CC1=CC=CC=C1C(F)(F)F)C1=CSC=C1	REAL300012010163	0	33	0.0	-33.10	292.82	8.85	-24.25
CCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010164	0	43	0.0	-31.54	359.19	9.64	-21.90
CC(C)CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010165	0	46	0.0	-31.47	376.76	10.16	-21.31
CCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010166	0	49	0.0	-31.48	402.19	11.20	-20.28
O=C([O-])C([NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1)C1=CSC=C1	REAL300012010167	0	41	0.0	-30.71	356.58	10.77	-19.94
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC	REAL300012010169	0	41	0.0	-33.20	345.45	7.95	-25.25
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)F)=C1)C1=CSC=C1	REAL300012010170	0	33	0.0	-30.84	304.87	8.86	-21.98
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OCC1=CC=CC=C1	REAL300012010172	0	48	0.0	-35.99	406.68	11.04	-24.95
COC1=CC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010173	0	34	0.0	-28.61	315.57	7.83	-20.78
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC(Br)=C1O	REAL300012010174	0	35	0.0	-34.71	324.90	5.57	-29.14
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1)C1=CSC=C1	REAL300012010175	1	40	0.0	-31.46	338.42	11.21	-20.25
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1)C1=CSC=C1	REAL300012010180	1	44	0.0	-30.50	376.08	11.11	-19.39
O=C([O-])C([NH2+]CC1=CN(CC(F)(F)F)N=C1)C1=CSC=C1	REAL300012010183	0	33	0.0	-35.12	307.05	7.00	-28.12
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F)C1=CSC=C1	REAL300012010186	0	38	0.0	-32.13	341.35	7.00	-25.13
O=C([O-])C([NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1)C1=CSC=C1	REAL300012010187	0	47	0.0	-34.93	389.18	11.11	-23.82
CN(CCC#N)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010188	0	42	0.0	-35.14	359.01	9.69	-25.45
O=C([O-])C([NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21)C1=CSC=C1	REAL300012010189	0	40	0.0	-29.19	343.92	9.55	-19.64
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OCC(N)=O	REAL300012010191	0	42	0.0	-45.52	363.50	5.02	-40.50
CCNC(=O)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC	REAL300012010193	0	48	0.0	-42.04	406.92	7.31	-34.73
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC2=C1OCO2	REAL300012010194	0	37	0.0	-34.56	320.44	5.78	-28.78
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC(OC)=C1OCC(N)=O	REAL300012010197	0	46	0.0	-43.27	396.65	4.83	-38.44
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC(Cl)=C1OCC(N)=O	REAL300012010198	0	42	0.0	-43.29	383.45	5.68	-37.61
O=C([O-])C([NH2+]CC1=CC=CC(I)=C1)C1=CSC=C1	REAL300012010201	0	30	0.0	-29.04	292.59	8.92	-20.12
O=C([O-])C([NH2+]CC1=CC=C(I)C=C1)C1=CSC=C1	REAL300012010202	0	30	0.0	-31.13	292.62	8.94	-22.19
O=C([O-])C([NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1)C1=CSC=C1	REAL300012010203	1	40	0.0	-30.83	361.25	8.72	-22.11
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010204	1	43	0.0	-24.99	354.49	11.70	-13.29
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010205	0	36	0.0	-38.99	325.54	5.36	-33.63
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1=CSC=C1	REAL300012010206	1	40	0.0	-32.59	357.10	11.80	-20.79
COC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010207	0	34	0.0	-28.61	311.01	7.73	-20.88
COC(=O)C1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CN1C	REAL300012010208	0	37	0.0	-32.77	325.56	8.05	-24.72
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C1=CSC=C1	REAL300012010209	0	43	0.0	-34.29	368.88	9.42	-24.87
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010212	0	39	0.0	-32.11	343.48	9.38	-22.73
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OC	REAL300012010215	0	44	0.0	-29.13	368.44	8.04	-21.09
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=CC=C1Br)C1=CSC=C1	REAL300012010218	0	33	0.0	-28.91	317.38	9.39	-19.52
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1C(F)(F)F)C1=CSC=C1	REAL300012010219	0	33	0.0	-34.58	314.14	9.48	-25.10
O=C([O-])C([NH2+]CC1=CC(F)=CC(Br)=C1)C1=CSC=C1	REAL300012010224	0	30	0.0	-32.10	293.86	8.55	-23.55
O=C([O-])C([NH2+]CC1=CC=CC(F)=C1Br)C1=CSC=C1	REAL300012010225	1	30	0.0	-32.44	281.58	8.32	-24.12
O=C([O-])C([NH2+]CC1=CC=CC(Br)=C1F)C1=CSC=C1	REAL300012010226	0	30	0.0	-36.11	291.21	8.53	-27.58
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=N1	REAL300012010227	0	40	0.0	-33.09	336.46	7.79	-25.30
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010228	0	35	0.0	-44.86	317.05	6.43	-38.43
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CSC=C1	REAL300012010229	1	40	0.0	-29.23	326.91	10.29	-18.94
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C)=C1OC	REAL300012010230	0	41	0.0	-31.47	339.96	7.75	-23.72
O=C([O-])C([NH2+]CC1=CSC(Cl)=C1Cl)C1=CSC=C1	REAL300012010231	1	27	0.0	-25.34	285.18	7.79	-17.55
O=C([O-])C([NH2+]CC1=CN=C(C(F)(F)F)S1)C1=CSC=C1	REAL300012010232	0	29	0.0	-34.33	292.20	6.27	-28.06
CS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010233	0	36	0.0	-36.53	325.51	5.35	-31.18
O=C([O-])C([NH2+]CC1=CC=C(C2CCCC2)C=C1)C1=CSC=C1	REAL300012010234	1	43	0.0	-29.94	349.69	11.06	-18.88
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C)=N1	REAL300012010238	0	39	0.0	-29.99	323.97	5.53	-24.46
CCC1=CC(OC)=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010240	0	40	0.0	-29.20	329.11	8.45	-20.75
O=C([O-])C([NH2+]CC1=CC=C(C2CCC2)C=C1)C1=CSC=C1	REAL300012010243	1	40	0.0	-29.96	331.90	10.45	-19.51
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC2=CC=CC=C21	REAL300012010244	1	40	0.0	-32.70	339.31	9.44	-23.26
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1F	REAL300012010245	0	37	0.0	-32.36	322.43	8.13	-24.23
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=CC=C12	REAL300012010246	0	40	0.0	-30.28	335.48	9.35	-20.93
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1C#N	REAL300012010247	0	35	0.0	-38.48	315.88	7.58	-30.90
O=C([O-])C([NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C1=CSC=C1	REAL300012010250	0	37	0.0	-32.81	328.15	6.09	-26.72
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010253	0	45	0.0	-31.13	375.83	10.57	-20.56
CN1C(=O)CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=CC=C21	REAL300012010255	1	41	0.0	-36.74	342.85	8.79	-27.95
CC1=CC=C(OC(F)F)C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010257	0	37	0.0	-30.81	324.15	8.15	-22.66
O=C([O-])C([NH2+]CC1=CC(Cl)=CC=C1OCC1CC1)C1=CSC=C1	REAL300012010261	0	41	0.0	-27.93	364.54	10.24	-17.69
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC(OC)=C1OCC(F)F	REAL300012010262	0	45	0.0	-38.24	391.61	8.20	-30.04
O=C([O-])C([NH2+]CC1=CC=NC2=C(Br)C=CC=C12)C1=CSC=C1	REAL300012010263	0	35	0.0	-33.95	321.10	8.78	-25.17
O=C([O-])C([NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1)C1=CSC=C1	REAL300012010265	0	36	0.0	-35.00	339.32	9.11	-25.89
O=C([O-])C([NH2+]CC1=CC=C(Br)C(Cl)=C1)C1=CSC=C1	REAL300012010267	0	30	0.0	-31.57	302.30	8.94	-22.63
CN1C=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=C2)C=N1	REAL300012010269	1	40	0.0	-36.24	346.28	9.16	-27.08
O=C([O-])C([NH2+]CC1=CN(CC(F)F)N=C1)C1=CSC=C1	REAL300012010270	0	33	0.0	-33.47	302.17	6.79	-26.68
O=C([O-])C([NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1)C1=CSC=C1	REAL300012010271	0	41	0.0	-32.88	359.32	10.71	-22.17
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C2=CC=C(F)C=C2)=N1	REAL300012010272	1	40	0.0	-32.97	346.97	8.91	-24.06
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C2=CC=C(C#N)C=C2)=N1	REAL300012010273	1	41	0.0	-33.18	364.42	9.36	-23.82
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=N1	REAL300012010275	0	44	0.0	-34.18	374.53	10.29	-23.89
CN1C=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)S2)C=N1	REAL300012010281	1	37	0.0	-34.02	338.17	8.48	-25.54
O=C([O-])C([NH2+]CC1=CC=C2OCCCCOC2=C1)C1=CSC=C1	REAL300012010282	0	42	0.0	-34.17	343.29	8.68	-25.49
CCOC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010283	0	37	0.0	-26.33	333.32	8.82	-17.51
O=C([O-])C([NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C1=CSC=C1	REAL300012010284	0	30	0.0	-35.05	297.85	8.83	-26.22
O=C([O-])C([NH2+]CC1=C(F)C=CC=C1OC(F)(F)F)C1=CSC=C1	REAL300012010286	1	34	0.0	-28.41	314.81	7.70	-20.71
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C2=CN(C)N=C2)=C1	REAL300012010288	0	43	0.0	-34.58	361.18	9.95	-24.63
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C2=CC=NN2C)=C1	REAL300012010289	0	43	0.0	-26.46	360.44	9.36	-17.10
N#CCCN1C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C2=CC=NC=C2)=N1	REAL300012010294	0	43	0.0	-39.90	381.64	8.61	-31.29
O=C([O-])C([NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1)C1=CSC=C1	REAL300012010295	0	36	0.0	-27.68	327.25	11.46	-16.22
COCCOCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010299	1	44	0.0	-33.43	376.70	7.83	-25.60
O=C([O-])C([NH2+]CC1=CSC=C1C(F)(F)F)C1=CSC=C1	REAL300012010301	0	30	0.0	-24.61	284.75	7.80	-16.81
CC1=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)SC2=C(Cl)C=CC=C12	REAL300012010302	1	36	0.0	-34.25	336.81	10.38	-23.87
O=C([O-])C([NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1)C1=CSC=C1	REAL300012010303	0	44	0.0	-40.66	389.57	10.27	-30.39
O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CSC=C1	REAL300012010305	0	33	0.0	-37.78	304.44	6.93	-30.85
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(C(=O)[O-])C2=CSC=C2)O1	REAL300012010306	0	40	0.0	-28.50	350.17	8.28	-20.22
O=C([O-])C([NH2+]CC1=CC(Br)=CN=C1Cl)C1=CSC=C1	REAL300012010307	1	29	0.0	-31.58	293.29	7.07	-24.51
O=C([O-])C([NH2+]CC1=CC(OC(F)F)=CC=C1Br)C1=CSC=C1	REAL300012010308	1	34	0.0	-26.82	319.50	7.98	-18.84
COC(=O)C1=C(C)C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CN1	REAL300012010309	0	37	0.0	-38.22	321.91	6.82	-31.40
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010311	0	40	0.0	-35.26	349.03	9.80	-25.46
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010312	0	40	0.0	-33.39	356.75	10.34	-23.05
CC(C)(C#N)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010314	0	40	0.0	-36.93	341.46	9.79	-27.14
COC1=CC(OC)=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1F	REAL300012010316	0	38	0.0	-31.90	329.96	6.59	-25.31
COC1=CC(F)=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC	REAL300012010317	0	38	0.0	-35.02	329.35	7.12	-27.90
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1)C1=CSC=C1	REAL300012010318	0	44	0.0	-31.77	387.53	11.38	-20.39
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C)=C1	REAL300012010320	0	43	0.0	-29.62	353.78	9.50	-20.12
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1=CSC=C1	REAL300012010321	1	32	0.0	-34.41	296.35	7.54	-26.87
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C)=C1	REAL300012010325	0	40	0.0	-29.24	330.41	8.63	-20.61
O=C([O-])C([NH2+]CC1=CC=CC(F)=C1OC(F)F)C1=CSC=C1	REAL300012010326	0	34	0.0	-32.77	308.06	7.60	-25.17
O=C([O-])C([NH2+]CC1=CC(F)=CC=C1OC(F)F)C1=CSC=C1	REAL300012010327	0	34	0.0	-30.65	309.14	7.55	-23.10
O=C([O-])C([NH2+]CC1=CC=CC(C2CCCC2)=C1)C1=CSC=C1	REAL300012010328	1	43	0.0	-29.18	349.05	11.04	-18.14
CN1C=C(C2=NN(C)C=C2C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=N1	REAL300012010329	0	40	0.0	-30.64	347.32	6.80	-23.84
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CSC=C1	REAL300012010331	0	30	0.0	-34.70	296.76	8.01	-26.69
O=C([O-])C([NH2+]CC1=C(C(F)(F)F)SC=C1)C1=CSC=C1	REAL300012010333	0	30	0.0	-32.76	287.93	8.00	-24.76
CN(C)C1=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=CC(F)=C1F	REAL300012010334	0	38	0.0	-28.57	326.27	7.91	-20.66
O=C([O-])C([NH2+]CC1=CNN=C1C1=CC=C(Br)S1)C1=CSC=C1	REAL300012010335	0	34	0.0	-26.18	330.14	7.69	-18.49
O=C([O-])C([NH2+]CC1=C(F)C=CC(F)=C1Cl)C1=CSC=C1	REAL300012010336	1	30	0.0	-27.93	290.05	8.31	-19.62
CC(C)OC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1Cl	REAL300012010337	0	40	0.0	-27.14	362.20	9.64	-17.50
O=C([O-])C([NH2+]CC1=CC=C(OC2CCOC2)C=C1)C1=CSC=C1	REAL300012010338	0	42	0.0	-34.52	351.48	7.51	-27.01
CN(C)C1=CC(F)=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1F	REAL300012010339	0	38	0.0	-32.37	329.61	7.38	-24.99
O=C([O-])C([NH2+]CC1=CC=C(F)C(F)=C1F)C1=CSC=C1	REAL300012010341	1	30	0.0	-40.08	283.26	8.04	-32.04
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC(C(F)(F)F)=C1	REAL300012010342	0	37	0.0	-33.30	334.38	8.16	-25.14
C=CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC	REAL300012010343	0	42	0.0	-34.97	377.70	9.16	-25.81
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC1CC1	REAL300012010344	0	42	0.0	-33.89	354.63	8.70	-25.19
COCC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010346	0	44	0.0	-32.19	366.43	8.04	-24.15
O=C([O-])C([NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F)C1=CSC=C1	REAL300012010347	0	44	0.0	-28.87	384.26	11.38	-17.49
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1=CSC=C1	REAL300012010348	1	37	0.0	-31.56	333.50	10.48	-21.08
O=C([O-])C([NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F)C1=CSC=C1	REAL300012010350	0	37	0.0	-27.93	342.42	8.78	-19.15
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1C(C)(C)C	REAL300012010351	1	46	0.0	-30.85	365.52	9.82	-21.03
O=C([O-])C([NH2+]CC1=CC=CC(CC2CCC2)=C1)C1=CSC=C1	REAL300012010352	1	43	0.0	-29.94	357.22	11.38	-18.56
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010353	1	38	0.0	-30.01	338.98	7.09	-22.92
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1Cl	REAL300012010358	0	34	0.0	-32.97	310.38	7.68	-25.29
O=C([O-])C([NH2+]CC1=CC=CC=C1CC(F)(F)F)C1=CSC=C1	REAL300012010361	0	36	0.0	-30.28	313.51	9.36	-20.92
CC(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010363	0	37	0.0	-38.40	321.96	6.78	-31.62
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=CN=C21	REAL300012010364	0	35	0.0	-38.09	309.14	6.96	-31.13
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC	REAL300012010366	0	38	0.0	-31.71	332.48	7.41	-24.30
O=C([O-])C([NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C1=CSC=C1	REAL300012010367	1	36	0.0	-32.58	325.83	9.62	-22.96
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010368	1	50	0.0	-35.20	412.75	8.28	-26.92
CCOC(=O)C1=C(C)C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C(C)N1	REAL300012010370	0	43	0.0	-36.57	366.50	8.25	-28.32
O=C([O-])C([NH2+]CC1=CN=C(Cl)C(F)=C1)C1=CSC=C1	REAL300012010371	0	29	0.0	-35.72	283.76	6.55	-29.17
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1)C1=CSC=C1	REAL300012010372	0	40	0.0	-34.33	359.19	11.84	-22.49
O=C([O-])C([NH2+]CC1=CC=C(Br)C(F)=C1F)C1=CSC=C1	REAL300012010373	0	30	0.0	-38.60	297.56	8.59	-30.01
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C(F)C=C1OC	REAL300012010375	0	41	0.0	-34.82	351.20	8.03	-26.79
COC1=NC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010376	1	33	0.0	-27.62	313.24	5.23	-22.39
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CSC=C1	REAL300012010377	0	36	0.0	-30.92	312.66	10.03	-20.89
O=C([O-])C([NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O)C1=CSC=C1	REAL300012010379	0	44	0.0	-34.33	385.55	7.48	-26.85
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C(F)C=C1Br	REAL300012010380	0	34	0.0	-34.87	320.54	7.87	-27.00
O=C([O-])C([NH2+]CC1=CC=CC(Br)=C1Cl)C1=CSC=C1	REAL300012010381	0	30	0.0	-32.04	293.22	8.77	-23.27
O=C([O-])C([NH2+]CC1=CC=CC(F)=C1OC(F)(F)F)C1=CSC=C1	REAL300012010382	0	34	0.0	-36.94	316.87	7.88	-29.06
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010384	0	37	0.0	-31.39	322.00	8.09	-23.30
O=C([O-])C([NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1)C1=CSC=C1	REAL300012010385	0	44	0.0	-36.80	362.14	8.87	-27.93
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C=C1F)C1=CSC=C1	REAL300012010386	0	34	0.0	-29.54	310.97	7.46	-22.08
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010387	0	43	0.0	-29.05	345.21	8.97	-20.08
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C)=C1Br	REAL300012010389	0	36	0.0	-28.43	317.24	9.58	-18.85
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010391	1	47	0.0	-36.37	386.91	8.07	-28.30
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C2=CC(F)=CC=C2F)=N1	REAL300012010392	0	40	0.0	-29.59	356.50	9.10	-20.49
O=C([O-])C([NH2+]CC1=CC(Br)=CC(F)=C1O)C1=CSC=C1	REAL300012010396	1	31	0.0	-29.99	303.31	5.76	-24.23
O=C([O-])C([NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1)C1=CSC=C1	REAL300012010397	0	40	0.0	-29.20	369.61	9.47	-19.73
CCN1C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C2=CC=CC=C2)=N1	REAL300012010399	1	43	0.0	-27.99	365.12	9.84	-18.15
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CSC=C1	REAL300012010400	1	38	0.0	-28.81	309.11	7.72	-21.09
COCC1=C(C)C=C(C)C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1C	REAL300012010401	1	46	0.0	-28.87	364.54	8.98	-19.89
O=C([O-])C([NH2+]CC1=CC=C2OC(=O)OC2=C1)C1=CSC=C1	REAL300012010402	0	32	0.0	-37.12	292.59	8.38	-28.74
O=C([O-])C([NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1)C1=CSC=C1	REAL300012010403	0	41	0.0	-28.73	375.89	11.30	-17.43
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010404	0	44	0.0	-26.51	387.65	11.83	-14.68
O=C([O-])C([NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1)C1=CSC=C1	REAL300012010405	0	41	0.0	-27.26	374.67	11.24	-16.02
CC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)S1	REAL300012010406	1	30	0.0	-29.80	298.74	8.37	-21.43
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C1=CSC=C1	REAL300012010407	1	40	0.0	-31.81	355.79	11.76	-20.05
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1C	REAL300012010409	0	43	0.0	-31.02	359.10	9.64	-21.38
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1COC1=CC=CC=C1	REAL300012010410	0	48	0.0	-30.41	402.79	10.56	-19.85
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1CN1C=CC=N1	REAL300012010411	0	44	0.0	-36.78	378.39	8.85	-27.93
CC1=CC=C(Br)C(F)=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010413	0	33	0.0	-34.30	307.13	8.94	-25.36
CC1=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=CC=C1[N+](=O)[O-]	REAL300012010414	0	35	0.0	-33.01	302.67	8.85	-24.16
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010415	0	38	0.0	-30.93	318.81	9.27	-21.66
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(F)=C1OC	REAL300012010417	0	38	0.0	-29.74	334.18	7.19	-22.55
COC(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(F)=C1	REAL300012010418	0	36	0.0	-30.71	326.50	8.54	-22.17
O=C([O-])C([NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)C1=CSC=C1	REAL300012010419	0	40	0.0	-36.65	352.81	8.24	-28.41
O=C([O-])C([NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1)C1=CSC=C1	REAL300012010420	1	44	0.0	-34.13	377.44	11.14	-22.99
O=C([O-])C([NH2+]CC1=CC=CC=C1OCC(F)F)C1=CSC=C1	REAL300012010421	0	37	0.0	-29.23	327.25	8.41	-20.82
O=C([O-])C([NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1)C1=CSC=C1	REAL300012010422	0	41	0.0	-31.67	373.13	10.98	-20.69
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010423	0	48	0.0	-25.83	402.20	11.19	-14.64
O=C([O-])C([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1)C1=CSC=C1	REAL300012010424	0	41	0.0	-28.08	373.99	11.18	-16.90
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010426	0	37	0.0	-32.33	319.84	9.29	-23.04
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010431	0	38	0.0	-39.05	338.40	4.54	-34.51
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CNC(C(=O)[O-])C1=CSC=C1	REAL300012010435	0	50	0.0	-56.80	383.09	10.69	-46.11
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNC(C(=O)[O-])C1=CSC=C1	REAL300012010435	1	50	0.0	-56.77	386.43	10.89	-45.88
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010435	1	50	0.0	-30.45	387.94	9.95	-20.50
O=C([O-])C([NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1)C1=CSC=C1	REAL300012010436	0	44	0.0	-39.05	395.44	11.26	-27.79
CCCC(C[NH2+]C(C(=O)[O-])C1=CSC=C1)C1=CC=CC=C1	REAL300012010440	0	42	0.0	-27.14	341.25	10.40	-16.74
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CSC=C1	REAL300012010442	0	30	0.0	-30.23	297.04	8.17	-22.06
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(OCC2=CC=CN=C2)=C1	REAL300012010443	0	47	0.0	-29.88	400.36	8.71	-21.17
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C(F)(F)F)=C1	REAL300012010445	0	41	0.0	-34.42	345.41	9.32	-25.10
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010446	0	40	0.0	-29.32	348.40	10.49	-18.83
O=C([O-])C([NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1)C1=CSC=C1	REAL300012010448	1	49	0.0	-32.38	401.93	11.21	-21.17
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010452	0	41	0.0	-32.39	350.87	9.20	-23.19
COCC1=CC=CC=C1C=C(C)C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010453	0	44	0.0	-32.30	363.34	9.42	-22.88
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010454	0	40	0.0	-26.84	336.58	8.62	-18.22
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010457	0	45	0.0	-30.97	386.34	11.22	-19.75
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(F)=C1	REAL300012010463	0	35	0.0	-34.62	325.97	2.84	-31.78
CC1=C(Br)C=NC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010464	0	32	0.0	-30.94	294.59	7.21	-23.73
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010465	0	33	0.0	-35.24	303.13	6.46	-28.78
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)NC2=CC=C1	REAL300012010467	1	37	0.0	-31.74	317.06	8.38	-23.36
O=C([O-])C(NCC1=CC=NN1C1=CC=[NH+]C=C1)C1=CSC=C1	REAL300012010468	1	36	0.0	-58.12	319.29	7.17	-50.95
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)NC2=C1	REAL300012010469	1	37	0.0	-30.96	317.49	8.40	-22.56
COC1=CC=C(C2=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=CC3=C2OCO3)C=N1	REAL300012010470	0	46	0.0	-38.16	398.76	6.86	-31.30
CC1=CC(C)=C(C=CC[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C)=C1	REAL300012010476	1	43	0.0	-32.34	356.17	10.99	-21.35
O=C([O-])C([NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C1=CSC=C1	REAL300012010477	0	50	0.0	-33.00	406.16	6.73	-26.27
CC(C)(C)OC(=O)NC(C[NH2+]C(C(=O)[O-])C1=CSC=C1)CC(F)F	REAL300012010478	0	46	0.0	-33.11	375.07	6.67	-26.44
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CSC=C1	REAL300012010481	0	35	0.0	-41.02	313.59	8.30	-32.72
CC1=CC(C)=C(C=CC[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1C	REAL300012010482	0	43	0.0	-31.32	351.15	10.81	-20.51
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010483	0	35	0.0	-38.65	319.07	2.79	-35.86
O=C([O-])C([NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1)C1=CSC=C1	REAL300012010488	0	41	0.0	-30.87	359.97	10.75	-20.12
O=C([O-])C([NH2+]CC1=CC=C2OCCCC2=C1)C1=CSC=C1	REAL300012010489	0	38	0.0	-32.44	319.84	8.50	-23.94
CN(C)C(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010490	0	40	0.0	-33.22	337.96	7.71	-25.51
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C2CCCCC2=N1	REAL300012010492	1	42	0.0	-29.83	335.07	8.94	-20.89
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C(F)=C1)C1=CSC=C1	REAL300012010495	0	33	0.0	-33.19	305.37	8.82	-24.37
COC(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1C	REAL300012010496	0	39	0.0	-35.39	335.69	9.03	-26.36
CC1=C(Cl)C=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1Cl	REAL300012010497	0	33	0.0	-25.80	311.63	9.32	-16.48
N#CC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010498	1	31	0.0	-30.12	301.06	8.80	-21.32
CC1CC2=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=CC=C2O1	REAL300012010499	0	38	0.0	-31.60	321.11	8.37	-23.23
CSCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010501	1	37	0.0	-31.46	330.96	9.72	-21.74
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=C21	REAL300012010506	1	36	0.0	-32.48	302.64	9.04	-23.44
CN(C)C(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010507	0	40	0.0	-39.93	335.55	7.69	-32.24
CCNC(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010508	0	40	0.0	-39.67	342.80	6.96	-32.71
CC(C)(C)C1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010509	1	42	0.0	-25.85	318.68	10.24	-15.61
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=CC2=C1	REAL300012010511	1	37	0.0	-32.53	331.17	8.62	-23.91
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010512	0	46	0.0	-39.70	376.09	9.56	-30.14
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=CC=C21	REAL300012010513	1	42	0.0	-30.19	343.53	8.42	-21.77
CCN(C)C(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010514	0	43	0.0	-40.20	357.70	8.69	-31.51
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1Cl	REAL300012010515	0	34	0.0	-35.21	321.39	9.33	-25.88
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1C1CC1	REAL300012010516	1	40	0.0	-29.58	331.88	10.45	-19.13
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1C1CC1	REAL300012010517	1	40	0.0	-30.23	333.17	10.48	-19.75
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C(C)=C2)C=C1	REAL300012010518	1	43	0.0	-33.28	361.27	10.25	-23.03
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1=CSC=C1	REAL300012010519	0	36	0.0	-32.65	336.04	9.71	-22.94
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010520	0	40	0.0	-32.23	356.51	10.16	-22.07
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=C2)C=C1Cl	REAL300012010522	0	40	0.0	-37.18	363.08	10.15	-27.03
CC(C)(C[NH2+]C(C(=O)[O-])C1=CSC=C1)C1=CC=C(Br)C=C1	REAL300012010525	0	39	0.0	-31.99	334.19	10.15	-21.84
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Br)=C1)C1=CSC=C1	REAL300012010527	0	30	0.0	-31.57	304.18	8.98	-22.59
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C)=C1	REAL300012010528	1	46	0.0	-25.04	376.69	12.35	-12.69
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010530	1	50	0.0	-34.36	412.74	8.28	-26.08
O=C([O-])C([NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1)C1=CSC=C1	REAL300012010532	0	47	0.0	-35.75	381.71	9.81	-25.94
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010533	1	40	0.0	-34.18	335.00	10.77	-23.41
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C1=CSC=C1	REAL300012010534	0	33	0.0	-35.08	324.21	9.57	-25.51
O=C([O-])C([NH2+]CC1=CNN=C1C1=CC=C(Cl)O1)C1=CSC=C1	REAL300012010535	0	34	0.0	-26.41	320.41	6.71	-19.70
O=C([O-])C([NH2+]CC1=CC=C(F)C(Br)=C1F)C1=CSC=C1	REAL300012010538	0	30	0.0	-37.37	295.05	8.49	-28.88
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)CC1	REAL300012010541	0	50	0.0	-35.47	388.57	8.85	-26.62
O=C([O-])C([NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C1=CSC=C1	REAL300012010543	0	36	0.0	-34.77	338.70	5.75	-29.02
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=C2C1C	REAL300012010544	1	41	0.0	-32.30	339.57	8.97	-23.33
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OC(F)F	REAL300012010545	0	37	0.0	-29.54	324.18	8.16	-21.38
CC1=NC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1Br	REAL300012010546	1	32	0.0	-31.39	311.75	7.60	-23.79
CC(C)CC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010547	1	42	0.0	-27.89	338.60	10.40	-17.49
CC1=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)NN=C1C(F)(F)F	REAL300012010550	0	33	0.0	-33.64	303.85	5.81	-27.83
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CSC=C1	REAL300012010551	0	30	0.0	-33.92	285.48	5.15	-28.77
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C2=CC=CC(F)=C2)=N1	REAL300012010554	0	40	0.0	-30.81	351.60	9.09	-21.72
O=C([O-])C([NH2+]CC1=CC=C(CC2CC2)S1)C1=CSC=C1	REAL300012010555	1	37	0.0	-27.88	331.37	10.11	-17.77
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CSC=C1	REAL300012010556	0	38	0.0	-31.36	325.38	8.80	-22.56
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C1=CSC=C1	REAL300012010557	0	34	0.0	-27.86	317.71	7.67	-20.19
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1=CSC=C1	REAL300012010558	0	36	0.0	-30.73	337.34	9.74	-20.99
CC1=NC=CN1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C)=C1	REAL300012010559	1	43	0.0	-34.73	359.42	10.81	-23.92
CC1=C(C)N(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=C2)C=N1	REAL300012010560	1	43	0.0	-37.08	363.87	11.47	-25.61
CNC(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010561	0	37	0.0	-33.36	321.29	6.10	-27.26
O=C([O-])C([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CSC=C1	REAL300012010562	1	44	0.0	-30.29	361.11	11.89	-18.40
C[NH+](C)CCC1=CC=C(CNC(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010563	0	44	0.0	-71.35	366.81	9.47	-61.88
CCNC(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010564	0	40	0.0	-32.87	342.78	6.95	-25.92
O=C([O-])C([NH2+]CC1=CC2=C(Br)C=CC=C2S1)C1=CSC=C1	REAL300012010568	1	33	0.0	-30.63	323.98	9.97	-20.66
O=C([O-])C([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C1=CSC=C1	REAL300012010570	1	40	0.0	-27.85	338.94	9.90	-17.95
O=C([O-])C([NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1)C1=CSC=C1	REAL300012010572	0	37	0.0	-30.08	343.47	8.34	-21.74
COC1=NC(Cl)=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010573	0	33	0.0	-28.15	308.81	5.05	-23.10
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C(F)(F)F)=N1	REAL300012010574	0	33	0.0	-28.63	302.94	6.64	-21.99
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CSC=C1	REAL300012010575	0	33	0.0	-29.16	302.80	8.72	-20.44
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1=CSC=C1	REAL300012010576	1	38	0.0	-31.59	312.35	7.86	-23.73
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010577	1	43	0.0	-34.11	380.70	10.65	-23.46
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010578	0	37	0.0	-29.61	331.57	8.63	-20.98
O=C([O-])C([NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1)C1=CSC=C1	REAL300012010579	1	37	0.0	-33.13	342.62	8.31	-24.82
O=C([O-])C([NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)C1=CSC=C1	REAL300012010581	0	37	0.0	-30.29	326.60	7.72	-22.57
O=C([O-])C([NH2+]CC1=C(Br)C=CC=C1OC(F)F)C1=CSC=C1	REAL300012010582	1	34	0.0	-27.93	317.69	7.86	-20.07
O=C([O-])C([NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1)C1=CSC=C1	REAL300012010583	0	32	0.0	-35.24	298.86	8.54	-26.70
O=C([O-])C([NH2+]CC1=C(F)C=C(Br)C=C1F)C1=CSC=C1	REAL300012010586	1	30	0.0	-28.18	296.14	8.46	-19.72
CN(CCO)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=N1	REAL300012010587	0	41	0.0	-33.11	343.81	5.36	-27.75
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1O	REAL300012010590	0	38	0.0	-33.47	319.81	5.47	-28.00
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C1=CSC=C1	REAL300012010591	0	36	0.0	-45.38	322.89	6.98	-38.40
CN1C(=O)C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC2=CC=CC=C21	REAL300012010592	0	39	0.0	-43.29	332.62	8.64	-34.65
CC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C)=C1Br	REAL300012010593	0	39	0.0	-26.31	331.61	9.87	-16.44
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CSC=C1	REAL300012010594	0	37	0.0	-38.51	323.26	7.81	-30.70
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CSC=C1	REAL300012010595	1	43	0.0	-29.53	355.94	11.35	-18.18
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010596	0	40	0.0	-33.80	361.03	8.60	-25.20
O=C([O-])C([NH2+]CC1=C(F)C=CC(Cl)=C1F)C1=CSC=C1	REAL300012010597	1	30	0.0	-28.62	291.64	8.38	-20.24
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010598	0	47	0.0	-34.79	386.63	8.08	-26.71
CC1=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C(F)(F)F)=CO1	REAL300012010600	0	33	0.0	-25.07	303.22	7.58	-17.49
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010601	0	36	0.0	-29.98	318.03	9.35	-20.63
CN1C=C(C2=NNC=C2C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=N1	REAL300012010603	0	37	0.0	-31.29	326.26	5.57	-25.72
COC1=CC=C(Br)C(F)=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010606	1	34	0.0	-27.60	318.90	7.82	-19.78
O=C([O-])C([NH2+]CC1=CC(F)=CC(F)=C1F)C1=CSC=C1	REAL300012010608	1	30	0.0	-27.67	282.51	7.95	-19.72
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1=CSC=C1	REAL300012010609	1	37	0.0	-31.47	330.41	10.26	-21.21
O=C([O-])C([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C1=CSC=C1	REAL300012010610	0	36	0.0	-29.71	323.81	10.50	-19.21
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(Br)=C1F)C1=CSC=C1	REAL300012010611	0	30	0.0	-37.28	306.10	8.98	-28.30
O=C([O-])C([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1=CSC=C1	REAL300012010613	0	41	0.0	-33.08	371.57	11.22	-21.86
O=C([O-])C([NH2+]CC1=CC=CC=C1COC1CCCCC1)C1=CSC=C1	REAL300012010614	0	50	0.0	-28.76	396.35	11.37	-17.39
COC1=CC=CC(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=C2)=C1	REAL300012010616	0	45	0.0	-35.64	383.05	9.99	-25.65
CCN1CCCC2=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=CC=C21	REAL300012010617	1	45	0.0	-30.70	355.08	8.88	-21.82
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010620	0	45	0.0	-36.70	385.07	10.64	-26.06
COC1=C(Br)C=CC(F)=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010621	1	34	0.0	-28.19	321.57	7.95	-20.24
O=C([O-])C([NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1)C1=CSC=C1	REAL300012010622	1	43	0.0	-31.43	373.34	12.50	-18.93
O=C([O-])C([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1=CSC=C1	REAL300012010623	0	34	0.0	-31.21	322.54	9.32	-21.89
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C1=CSC=C1	REAL300012010624	1	44	0.0	-34.21	392.85	11.63	-22.58
O=C([O-])C([NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C1=CSC=C1	REAL300012010625	0	43	0.0	-34.01	359.36	8.54	-25.47
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1OC(F)F)C1=CSC=C1	REAL300012010626	0	34	0.0	-29.65	323.41	8.06	-21.59
O=C([O-])C([NH2+]CC1=CC=C2CCOCC2=C1)C1=CSC=C1	REAL300012010627	1	38	0.0	-31.92	319.85	7.95	-23.97
CC1=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)SC2=CC(F)=CC=C12	REAL300012010628	0	36	0.0	-33.36	326.69	9.99	-23.37
COC1=CC(OC)=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C2=NC(Cl)=CC=C12	REAL300012010631	0	43	0.0	-27.30	377.34	7.50	-19.80
CN1C=CC(C2=NNC=C2C[NH2+]C(C(=O)[O-])C2=CSC=C2)=N1	REAL300012010632	0	37	0.0	-28.23	324.51	5.84	-22.39
O=C([O-])C([NH2+]CC1=CC=CC(OCC2CCC2)=C1)C1=CSC=C1	REAL300012010635	1	44	0.0	-32.45	364.44	10.19	-22.26
CC(F)(F)C1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010636	0	36	0.0	-32.78	304.78	9.31	-23.47
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OCCO	REAL300012010637	0	42	0.0	-35.89	356.82	4.87	-31.02
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1OCCO	REAL300012010639	0	42	0.0	-36.80	358.15	4.90	-31.90
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C2=CC=NN2C)=N1	REAL300012010640	1	40	0.0	-29.78	349.71	6.71	-23.07
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC=C1OCC1CCCO1	REAL300012010641	0	49	0.0	-35.90	403.85	8.49	-27.41
CC1=CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=C2O1	REAL300012010642	1	36	0.0	-27.58	315.39	9.01	-18.57
O=C([O-])C([NH2+]CC1=CC=CC(F)=C1C(F)(F)F)C1=CSC=C1	REAL300012010643	0	33	0.0	-37.87	297.94	8.90	-28.97
O=C([O-])C([NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F)C1=CSC=C1	REAL300012010644	1	37	0.0	-33.32	341.05	8.64	-24.68
O=C([O-])C([NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1)C1=CSC=C1	REAL300012010646	1	39	0.0	-33.45	361.53	9.54	-23.91
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C1=CSC=C1	REAL300012010650	0	33	0.0	-27.82	308.53	8.82	-19.00
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1F	REAL300012010651	0	40	0.0	-36.90	341.69	8.79	-28.11
O=C([O-])C([NH2+]CC1=CC=C(F)C(Cl)=C1F)C1=CSC=C1	REAL300012010652	0	30	0.0	-37.41	290.79	8.39	-29.02
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1OC1CC1)C1=CSC=C1	REAL300012010659	0	38	0.0	-25.98	344.72	9.43	-16.55
O=C([O-])C([NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F)C1=CSC=C1	REAL300012010661	0	33	0.0	-37.45	307.64	9.34	-28.11
O=C([O-])C([NH2+]CC1=C(F)C=CC(Br)=C1Cl)C1=CSC=C1	REAL300012010662	1	30	0.0	-27.83	304.91	8.86	-18.97
COC1=NC(C)=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C)=C1Cl	REAL300012010666	0	39	0.0	-31.07	335.49	5.94	-25.13
O=C([O-])C([NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C1=CSC=C1	REAL300012010673	0	35	0.0	-27.17	325.32	8.92	-18.25
O=C([O-])C([NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1)C1=CSC=C1	REAL300012010677	0	45	0.0	-41.17	372.31	7.37	-33.80
CC1=CC(Br)=C(F)C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010679	0	33	0.0	-34.97	312.68	9.18	-25.79
O=C([O-])C([NH2+]CC1=CC=C(Br)C(Cl)=C1F)C1=CSC=C1	REAL300012010680	0	30	0.0	-37.19	306.25	8.99	-28.20
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(F)=C1F)C1=CSC=C1	REAL300012010682	1	30	0.0	-37.97	291.22	8.40	-29.57
CN1C=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CSC=C3)=C2)C=N1	REAL300012010683	1	40	0.0	-34.37	346.26	9.15	-25.22
COC1=CC(F)=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1Br	REAL300012010684	0	34	0.0	-29.42	321.61	7.85	-21.57
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)C1=CSC=C1	REAL300012010685	0	40	0.0	-42.04	352.74	10.27	-31.77
CC1=CC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010686	0	33	0.0	-30.88	300.94	8.96	-21.92
COC1=C(C#N)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010687	0	35	0.0	-37.37	315.93	7.71	-29.66
COC1=NC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CSC=C3)C=C2S1	REAL300012010688	0	36	0.0	-35.11	329.24	5.65	-29.46
O=C([O-])C([NH2+]CC1=CC=NC(Br)=C1)C1=CSC=C1	REAL300012010689	0	29	0.0	-36.17	282.51	6.59	-29.58
O=C([O-])C([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C1=CSC=C1	REAL300012010690	1	30	0.0	-25.85	298.51	8.76	-17.09
CC(C)(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010691	1	46	0.0	-29.26	377.93	10.20	-19.06
O=C([O-])C([NH2+]CC1=CC(Br)=CC(Cl)=C1F)C1=CSC=C1	REAL300012010692	0	30	0.0	-26.66	307.29	8.92	-17.74
COC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010693	0	34	0.0	-31.04	310.47	7.61	-23.43
O=C([O-])C([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=CSC=C1	REAL300012010694	0	33	0.0	-28.04	315.79	9.14	-18.90
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=CC(F)=C1F	REAL300012010695	0	34	0.0	-38.32	308.18	7.29	-31.03
CN1N=CC=C1C1=NNC=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010696	0	37	0.0	-38.47	327.16	5.49	-32.98
CC1=CC(Br)=CC(C)=C1C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010698	0	36	0.0	-28.40	320.43	9.53	-18.87
O=C([O-])C([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C1=CSC=C1	REAL300012010701	1	46	0.0	-29.07	366.06	11.61	-17.46
COC1=CC=CC=C1C=CC[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010702	0	38	0.0	-31.98	325.57	8.51	-23.47
CC1=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)SC(Br)=C1	REAL300012010703	1	30	0.0	-30.26	294.64	8.20	-22.06
CC1=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=NN1CC(F)F	REAL300012010705	0	36	0.0	-38.19	320.70	7.27	-30.92
O=C([O-])C([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C1=CSC=C1	REAL300012010710	1	43	0.0	-31.32	367.61	12.29	-19.03
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1Br)C1=CSC=C1	REAL300012010711	1	30	0.0	-24.68	312.07	9.28	-15.40
CCCCC(=O)NC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010712	1	46	0.0	-38.74	384.50	9.09	-29.65
CCN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C(C)=C1	REAL300012010713	0	44	0.0	-28.98	354.23	9.82	-19.16
O=C([O-])C([NH2+]CC1=CC(Cl)=CN=C1Br)C1=CSC=C1	REAL300012010714	1	29	0.0	-30.27	287.86	6.89	-23.38
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=CSC=C1	REAL300012010718	0	34	0.0	-34.01	326.88	8.18	-25.83
O=C([O-])C([NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=CSC=C1	REAL300012010719	0	40	0.0	-34.64	353.41	10.66	-23.98
O=C([O-])C([NH2+]CC1=CC=C2SC=CC2=C1)C1=CSC=C1	REAL300012010720	1	33	0.0	-32.30	303.07	9.23	-23.07
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C1=CSC=C1	REAL300012010721	1	39	0.0	-34.46	335.58	9.53	-24.93
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1	REAL300012010722	0	52	0.0	-30.00	423.69	12.74	-17.26
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CSC=C2)=C1C(F)(F)F	REAL300012010723	0	36	0.0	-23.50	306.76	9.30	-14.20
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1Br)C1=CSC=C1	REAL300012010724	0	33	0.0	-26.54	321.18	9.40	-17.14
CCC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=C1	REAL300012010725	1	42	0.0	-29.12	342.88	10.39	-18.73
O=C([O-])C([NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1)C1=CSC=C1	REAL300012010727	0	35	0.0	-30.57	331.21	8.23	-22.34
O=C([O-])C([NH2+]CC1=CC2=CC(Br)=CC=C2S1)C1=CSC=C1	REAL300012010729	1	33	0.0	-31.80	322.88	9.94	-21.86
O=C([O-])C([NH2+]CC1=CC(Br)=CC(F)=C1F)C1=CSC=C1	REAL300012010732	1	30	0.0	-27.76	299.31	8.56	-19.20
O=C([O-])C([NH2+]CC1=CC(Cl)=C(Br)C=C1F)C1=CSC=C1	REAL300012010733	0	30	0.0	-32.75	306.79	8.99	-23.76
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCCC2)C1=CSC=C1	REAL300012010734	1	40	0.0	-28.18	320.69	10.23	-17.95
O=C([O-])C([NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C1=CSC=C1	REAL300012010735	0	32	0.0	-34.47	313.75	9.08	-25.39
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(C(=O)[O-])C1=CSC=C1	REAL300012010736	0	37	0.0	-31.95	325.32	9.73	-22.22
COC1=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=CC(Br)=C1F	REAL300012010737	0	34	0.0	-27.81	320.59	7.85	-19.96
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C1=CSC=C1	REAL300012010738	0	33	0.0	-28.68	309.62	8.88	-19.80
O=C([O-])C([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C1=CSC=C1	REAL300012010739	0	36	0.0	-37.57	316.59	7.71	-29.86
CC1=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C=CC2=CC=CC=C21	REAL300012010740	1	39	0.0	-29.09	318.07	10.45	-18.64
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C1=CSC=C1	REAL300012010742	0	36	0.0	-30.37	329.38	10.61	-19.76
O=C([O-])C([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C1=CSC=C1	REAL300012010744	0	43	0.0	-31.66	352.45	4.84	-26.82
CC1=C(C[NH2+]C(C(=O)[O-])C2=CSC=C2)C2=NC=CC=C2C=C1	REAL300012010748	1	38	0.0	-32.15	321.52	8.88	-23.27
CC1=CC=C(N2C=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012010753	0	57	0.0	-27.19	434.78	11.82	-15.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012010754	0	40	0.0	-33.66	330.76	8.19	-25.47
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012010755	0	53	0.0	-32.06	429.34	10.90	-21.16
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010756	0	45	0.0	-28.85	390.77	9.93	-18.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012010757	0	52	0.0	-29.47	420.04	12.16	-17.31
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012010758	0	47	0.0	-30.54	367.24	10.19	-20.35
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012010759	0	42	0.0	-27.16	344.92	7.58	-19.58
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012010760	0	32	0.0	-34.30	293.45	6.73	-27.57
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010761	0	45	0.0	-30.95	369.46	9.59	-21.36
N#CCCN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012010762	0	49	0.0	-35.14	411.60	10.29	-24.85
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012010763	0	43	0.0	-34.84	359.47	7.35	-27.49
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012010764	0	51	0.0	-33.53	416.02	10.34	-23.19
CCCOC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010765	0	45	0.0	-26.53	383.77	9.51	-17.02
CCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC	REAL300012010766	0	46	0.0	-34.96	371.63	7.98	-26.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012010767	0	49	0.0	-26.02	399.84	11.11	-14.91
CCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012010768	0	51	0.0	-31.89	405.56	10.41	-21.48
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012010769	0	44	0.0	-43.45	378.12	10.39	-33.06
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012010770	0	44	0.0	-35.86	379.46	10.42	-25.44
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Br	REAL300012010771	0	39	0.0	-35.05	339.56	7.79	-27.26
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010772	0	45	0.0	-24.31	356.76	8.64	-15.67
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012010773	0	52	0.0	-31.56	414.58	9.51	-22.05
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012010774	0	49	0.0	-34.75	393.06	8.79	-25.96
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012010775	0	47	0.0	-35.08	384.47	8.57	-26.51
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012010776	0	58	0.0	-31.42	457.57	11.07	-20.35
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012010777	0	42	0.0	-30.19	366.68	10.23	-19.96
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012010778	0	42	0.0	-31.21	368.16	10.31	-20.90
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012010779	0	42	0.0	-31.20	375.55	11.10	-20.10
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012010780	0	45	0.0	-37.24	375.20	9.54	-27.70
CCC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012010781	0	44	0.0	-28.92	360.80	9.77	-19.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012010782	0	44	0.0	-44.80	375.33	11.05	-33.75
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012010783	0	41	0.0	-28.76	360.96	8.68	-20.08
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012010784	0	39	0.0	-25.69	335.62	7.66	-18.03
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012010785	0	39	0.0	-31.91	347.43	9.33	-22.58
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012010786	0	42	0.0	-26.80	349.66	5.47	-21.33
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Cl)=C1	REAL300012010787	0	39	0.0	-24.74	331.00	7.46	-17.28
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012010788	0	39	0.0	-32.28	337.03	7.66	-24.62
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012010789	0	44	0.0	-35.15	384.85	11.18	-23.97
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012010790	0	44	0.0	-32.59	383.90	11.22	-21.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012010791	0	42	0.0	-28.83	353.76	7.71	-21.12
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012010792	0	45	0.0	-29.65	363.70	8.14	-21.51
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012010793	0	39	0.0	-32.25	325.00	6.66	-25.59
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012010794	0	46	0.0	-28.86	376.82	6.94	-21.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012010795	0	38	0.0	-27.90	327.88	9.18	-18.72
CCOC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012010796	0	54	0.0	-31.78	426.95	8.43	-23.35
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012010797	0	41	0.0	-32.34	337.03	8.36	-23.98
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])O2)C=C1	REAL300012010798	0	45	0.0	-29.64	371.36	10.38	-19.26
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])O1	REAL300012010799	0	42	0.0	-27.30	339.81	6.33	-20.97
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012010800	0	41	0.0	-29.19	339.88	5.82	-23.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012010801	0	48	0.0	-34.31	390.72	6.77	-27.54
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012010802	0	50	0.0	-34.25	399.36	8.47	-25.78
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012010803	0	42	0.0	-30.68	363.08	10.58	-20.10
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012010804	0	40	0.0	-26.46	330.78	8.33	-18.13
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012010805	0	48	0.0	-27.06	391.51	9.37	-17.69
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010806	0	44	0.0	-33.53	361.84	6.80	-26.73
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012010807	0	42	0.0	-38.11	349.39	9.07	-29.04
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012010808	0	41	0.0	-40.27	344.25	10.40	-29.87
CC(C)N1N=CC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=C(Cl)N=C21	REAL300012010809	0	46	0.0	-33.74	385.33	8.77	-24.97
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012010810	0	42	0.0	-29.71	374.48	11.12	-18.59
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012010811	0	52	0.0	-38.67	426.36	9.27	-29.40
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012010812	0	42	0.0	-30.39	366.92	10.78	-19.61
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012010813	0	38	0.0	-28.17	340.36	9.25	-18.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012010814	0	35	0.0	-25.54	310.09	8.32	-17.22
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012010815	0	35	0.0	-35.04	312.24	8.39	-26.65
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012010816	0	38	0.0	-37.96	335.35	8.91	-29.05
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012010817	0	42	0.0	-33.04	341.00	8.06	-24.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012010818	0	35	0.0	-24.65	318.26	8.68	-15.97
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012010819	0	38	0.0	-34.08	325.96	8.93	-25.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012010820	0	35	0.0	-35.95	308.70	8.00	-27.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012010821	0	38	0.0	-34.27	336.10	8.93	-25.34
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012010822	0	38	0.0	-29.71	332.08	8.77	-20.94
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Cl)=C1OC	REAL300012010823	0	43	0.0	-27.29	365.58	7.58	-19.71
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012010824	0	38	0.0	-29.89	328.42	9.40	-20.49
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012010825	0	35	0.0	-35.79	313.56	8.44	-27.35
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010826	0	51	0.0	-27.60	423.59	11.07	-16.53
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012010827	0	39	0.0	-28.81	345.61	7.95	-20.86
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012010828	0	42	0.0	-31.32	373.41	11.02	-20.30
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=C2)=C1	REAL300012010829	0	50	0.0	-33.06	421.79	11.43	-21.63
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012010830	0	45	0.0	-39.85	369.60	6.40	-33.45
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012010831	0	46	0.0	-37.78	389.82	8.41	-29.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012010832	0	48	0.0	-35.94	395.86	9.34	-26.60
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010833	0	44	0.0	-28.10	354.04	7.36	-20.74
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012010834	0	41	0.0	-31.37	354.51	7.58	-23.79
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012010835	0	45	0.0	-40.04	389.17	9.99	-30.05
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010836	0	44	0.0	-28.31	371.07	7.82	-20.49
COCCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012010837	0	46	0.0	-35.43	374.63	7.33	-28.10
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Cl	REAL300012010838	0	39	0.0	-35.12	335.18	7.68	-27.44
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012010839	0	40	0.0	-30.52	349.98	6.74	-23.78
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010840	0	47	0.0	-27.27	369.27	9.34	-17.93
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012010841	0	51	0.0	-35.74	407.76	7.76	-27.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012010842	0	42	0.0	-35.87	360.57	8.52	-27.35
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012010843	0	41	0.0	-26.44	331.75	6.93	-19.51
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012010844	0	44	0.0	-26.49	348.65	7.75	-18.74
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010845	0	47	0.0	-27.54	378.96	9.80	-17.74
CCCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012010846	0	45	0.0	-33.31	363.82	8.90	-24.41
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012010847	0	42	0.0	-29.92	357.03	10.39	-19.53
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012010848	0	49	0.0	-33.35	385.06	10.07	-23.28
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012010849	0	45	0.0	-31.70	360.24	8.73	-22.97
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012010850	0	48	0.0	-36.72	395.79	10.31	-26.41
CC1=CC=C(C2=NC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CS2)C=C1	REAL300012010851	0	44	0.0	-27.93	375.96	9.29	-18.64
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012010853	0	49	0.0	-29.58	404.65	11.21	-18.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012010854	0	45	0.0	-29.48	387.47	8.17	-21.31
CC1=CC=C(OCC2=NC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CS2)C=C1	REAL300012010855	0	48	0.0	-29.41	408.87	8.84	-20.57
COC1=CC=C(OCC2=NC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CS2)C=C1	REAL300012010856	0	49	0.0	-30.84	416.96	7.46	-23.38
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012010858	0	38	0.0	-27.70	345.59	7.55	-20.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012010859	0	42	0.0	-32.24	363.08	10.58	-21.66
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010860	0	49	0.0	-30.51	394.88	8.60	-21.91
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012010861	0	49	0.0	-25.13	384.72	10.07	-15.06
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012010862	0	52	0.0	-28.99	420.97	8.64	-20.35
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])S2)C=C1	REAL300012010863	0	45	0.0	-30.27	378.91	11.22	-19.05
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012010864	0	41	0.0	-34.45	357.08	8.10	-26.35
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010865	0	39	0.0	-25.49	351.16	8.16	-17.33
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012010866	0	35	0.0	-24.58	322.82	8.79	-15.79
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012010867	0	35	0.0	-25.00	323.99	8.86	-16.14
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012010868	0	46	0.0	-32.02	391.23	10.81	-21.21
CCOC1=C(OC)C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012010869	0	50	0.0	-34.88	403.46	7.88	-27.00
COCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012010870	0	49	0.0	-35.50	397.50	7.97	-27.53
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CN=C1Cl	REAL300012010871	0	37	0.0	-30.71	320.16	6.99	-23.72
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012010872	0	43	0.0	-28.69	356.19	6.64	-22.05
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012010873	0	39	0.0	-29.69	342.98	7.92	-21.77
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012010874	0	55	0.0	-35.29	445.22	12.70	-22.59
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012010875	0	48	0.0	-32.16	396.28	9.68	-22.48
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012010876	0	53	0.0	-30.97	432.68	9.08	-21.89
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])S2)C=C1	REAL300012010877	0	44	0.0	-29.87	375.25	9.43	-20.44
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012010878	0	40	0.0	-26.93	347.45	8.84	-18.09
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012010879	0	40	0.0	-25.62	334.21	8.30	-17.32
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012010880	0	40	0.0	-26.79	335.83	8.36	-18.43
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012010881	0	40	0.0	-25.23	343.05	8.68	-16.55
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012010882	0	42	0.0	-36.78	365.74	9.93	-26.85
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])O1	REAL300012010883	0	45	0.0	-30.37	376.91	10.46	-19.91
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])O2)C=C1	REAL300012010884	0	48	0.0	-29.45	392.84	11.15	-18.30
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(OC(F)F)=C1	REAL300012010885	0	43	0.0	-28.90	356.19	6.65	-22.25
COC1=CC=C2OC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC2=C1	REAL300012010886	0	42	0.0	-33.47	348.34	7.61	-25.86
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012010887	0	39	0.0	-34.95	337.41	9.65	-25.30
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012010888	0	41	0.0	-28.74	338.65	8.98	-19.76
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012010889	0	43	0.0	-30.66	356.48	9.58	-21.08
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Br	REAL300012010890	0	38	0.0	-30.43	330.46	9.06	-21.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012010891	0	39	0.0	-39.64	333.92	9.26	-30.38
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1Br	REAL300012010892	0	38	0.0	-28.60	328.33	8.91	-19.69
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012010893	0	42	0.0	-34.43	349.87	8.92	-25.51
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012010894	0	40	0.0	-27.02	343.47	8.15	-18.87
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012010895	0	39	0.0	-33.67	329.38	7.82	-25.85
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012010896	0	39	0.0	-30.88	327.12	7.74	-23.14
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=N1	REAL300012010897	0	41	0.0	-33.02	340.00	5.39	-27.63
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012010898	0	43	0.0	-33.28	350.89	9.03	-24.25
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1Cl	REAL300012010899	0	38	0.0	-28.67	324.29	8.84	-19.83
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012010900	0	37	0.0	-34.28	322.83	7.35	-26.93
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])O2)C=C1	REAL300012010901	0	54	0.0	-29.23	426.07	12.03	-17.20
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010902	0	55	0.0	-29.39	405.92	10.73	-18.66
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010903	0	55	0.0	-25.84	425.20	10.53	-15.31
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012010904	0	53	0.0	-31.81	424.46	12.60	-19.21
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010905	0	51	0.0	-35.20	424.43	10.78	-24.42
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1F	REAL300012010906	0	49	0.0	-34.73	390.10	9.00	-25.73
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(SC)C=C1OC	REAL300012010907	0	47	0.0	-27.37	383.96	7.89	-19.48
COC1=CC=C2N=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])SC2=C1	REAL300012010908	0	41	0.0	-28.71	351.31	6.57	-22.14
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010909	0	41	0.0	-26.49	352.80	8.62	-17.87
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1C#N	REAL300012010910	0	40	0.0	-34.10	338.54	7.44	-26.66
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012010911	0	39	0.0	-32.41	340.85	9.13	-23.28
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010912	0	41	0.0	-28.37	335.62	9.28	-19.09
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012010913	0	39	0.0	-36.33	336.45	7.52	-28.81
CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N=C1	REAL300012010914	0	41	0.0	-32.16	336.07	6.13	-26.03
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010915	0	41	0.0	-29.10	344.84	9.45	-19.65
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012010916	0	43	0.0	-34.91	368.35	7.67	-27.24
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010917	0	51	0.0	-31.45	431.32	11.02	-20.43
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC(C)C	REAL300012010918	0	52	0.0	-33.97	411.91	9.42	-24.55
CCCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC	REAL300012010919	0	49	0.0	-34.19	391.81	8.74	-25.45
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)S1	REAL300012010920	0	32	0.0	-29.85	301.56	7.60	-22.25
CCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012010921	0	46	0.0	-34.61	390.21	8.59	-26.02
C=CCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012010922	0	43	0.0	-33.69	355.23	8.68	-25.01
COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1OC(C)C	REAL300012010923	0	49	0.0	-26.12	388.99	8.83	-17.29
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012010924	0	46	0.0	-34.84	390.21	8.62	-26.22
CCCOC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=CC=C1OCC	REAL300012010925	0	52	0.0	-26.08	414.97	9.73	-16.35
CCCCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC	REAL300012010926	0	52	0.0	-34.01	413.31	9.52	-24.49
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC	REAL300012010927	0	52	0.0	-34.32	433.56	10.34	-23.98
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010928	0	51	0.0	-28.37	427.00	11.50	-16.87
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC(F)F	REAL300012010929	0	43	0.0	-37.15	358.21	7.31	-29.84
CCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012010930	0	46	0.0	-34.56	381.39	8.26	-26.30
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012010931	0	45	0.0	-31.42	368.29	8.80	-22.62
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])OC(C)C2	REAL300012010932	0	50	0.0	-31.63	398.03	8.76	-22.87
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012010933	0	45	0.0	-33.92	363.35	6.79	-27.13
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012010934	1	44	0.0	-33.11	384.19	9.25	-23.86
CCCCN1N=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Cl	REAL300012010935	0	47	0.0	-29.84	392.66	8.87	-20.97
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1OC(F)F	REAL300012010936	0	46	0.0	-30.04	377.74	8.29	-21.75
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012010937	0	53	0.0	-30.08	423.05	9.89	-20.19
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012010938	0	42	0.0	-29.93	356.67	10.51	-19.42
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012010939	0	49	0.0	-34.62	411.70	9.42	-25.20
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010940	0	57	0.0	-27.84	442.28	11.84	-16.00
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012010941	0	42	0.0	-35.05	365.99	9.93	-25.12
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012010942	0	51	0.0	-28.58	397.82	9.34	-19.24
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010943	0	47	0.0	-34.23	369.98	10.74	-23.49
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])=N2	REAL300012010944	1	47	0.0	-25.91	375.21	8.46	-17.45
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010945	0	41	0.0	-22.97	336.46	9.29	-13.68
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC2=C1	REAL300012010946	0	44	0.0	-29.81	355.89	9.55	-20.26
CCCC1CCC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])CC1	REAL300012010947	0	50	0.0	-31.28	371.28	10.18	-21.10
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012010948	0	42	0.0	-28.20	364.09	8.16	-20.04
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012010949	0	42	0.0	-37.38	346.99	10.25	-27.13
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012010950	0	42	0.0	-32.30	359.70	9.87	-22.43
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012010951	0	41	0.0	-31.59	350.13	7.46	-24.13
CCCCC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012010952	0	50	0.0	-28.67	404.02	11.29	-17.38
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012010953	0	48	0.0	-38.08	396.62	12.49	-25.59
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012010954	0	50	0.0	-36.21	421.71	10.12	-26.09
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010955	0	48	0.0	-30.58	392.44	9.97	-20.61
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012010956	0	44	0.0	-31.33	367.73	8.21	-23.12
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300012010957	0	49	0.0	-29.11	414.09	11.62	-17.49
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010958	0	42	0.0	-25.92	340.53	7.83	-18.09
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1F	REAL300012010959	0	39	0.0	-37.30	326.69	7.25	-30.05
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012010960	0	44	0.0	-35.83	342.32	8.88	-26.95
CC(C)C1CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])CCO1	REAL300012010961	0	48	0.0	-33.43	362.07	7.91	-25.52
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012010962	0	42	0.0	-41.01	368.12	8.64	-32.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012010963	0	41	0.0	-39.11	367.40	8.39	-30.72
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012010964	0	41	0.0	-31.04	365.21	8.22	-22.82
CCSC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012010965	0	42	0.0	-33.55	352.65	9.73	-23.82
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012010966	1	36	0.0	-28.22	320.81	5.55	-22.67
CCN1N=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012010967	0	44	0.0	-28.61	361.47	8.61	-20.00
COCCC1(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])CCCCC1	REAL300012010968	0	51	0.0	-31.24	367.29	8.05	-23.19
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012010969	0	32	0.0	-29.69	318.71	8.11	-21.58
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012010970	0	45	0.0	-32.37	363.89	8.89	-23.48
COC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012010971	0	48	0.0	-37.52	403.55	10.29	-27.23
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012010972	0	42	0.0	-36.57	381.81	10.68	-25.89
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012010973	0	48	0.0	-30.72	408.53	10.30	-20.42
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012010974	0	42	0.0	-32.66	351.23	9.69	-22.97
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012010975	0	49	0.0	-34.79	389.49	8.62	-26.17
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC	REAL300012010976	0	52	0.0	-34.00	413.66	9.66	-24.34
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012010977	0	40	0.0	-34.13	333.84	9.02	-25.11
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012010978	0	45	0.0	-31.20	359.00	8.67	-22.53
CCCCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012010979	0	57	0.0	-32.33	449.88	12.01	-20.32
CC(C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012010980	0	56	0.0	-32.35	423.94	12.23	-20.12
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Br)C=CS1	REAL300012010981	0	32	0.0	-25.24	300.66	7.44	-17.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012010982	0	48	0.0	-28.12	370.58	7.22	-20.90
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012010983	0	35	0.0	-25.49	313.66	8.42	-17.07
CC(C)CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012010984	0	47	0.0	-30.09	370.85	10.51	-19.58
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=C2)C=C1	REAL300012010985	0	48	0.0	-32.40	385.33	11.90	-20.50
COC1=CC=C(Br)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012010986	0	39	0.0	-27.09	332.93	7.61	-19.48
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012010987	0	41	0.0	-38.14	346.56	8.60	-29.54
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012010988	0	35	0.0	-32.01	324.43	8.88	-23.13
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012010989	0	35	0.0	-32.13	312.78	8.41	-23.72
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012010990	0	32	0.0	-30.54	293.44	6.57	-23.97
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012010991	0	48	0.0	-30.90	387.02	11.95	-18.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012010992	0	41	0.0	-34.06	367.44	9.83	-24.23
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012010993	0	39	0.0	-34.68	330.22	7.45	-27.23
CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC	REAL300012010994	0	49	0.0	-34.82	393.49	8.90	-25.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012010995	0	35	0.0	-25.41	311.13	8.27	-17.14
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012010996	0	38	0.0	-37.19	342.93	9.27	-27.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012010997	0	35	0.0	-24.95	313.67	8.42	-16.53
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012010998	0	39	0.0	-34.13	336.96	7.67	-26.46
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012010999	0	35	0.0	-26.89	313.28	8.34	-18.55
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011000	0	49	0.0	-32.84	399.25	10.93	-21.91
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012011001	0	45	0.0	-37.96	390.29	10.77	-27.19
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012011002	0	35	0.0	-26.88	312.73	8.33	-18.55
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C12	REAL300012011003	0	45	0.0	-31.54	356.95	9.27	-22.27
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012011004	0	42	0.0	-27.87	346.00	7.64	-20.23
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012011004	1	42	0.0	-26.44	347.99	7.68	-18.76
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011005	0	41	0.0	-27.07	336.07	8.11	-18.96
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Br)=C1O	REAL300012011006	0	40	0.0	-34.23	341.43	5.43	-28.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(Br)=C1	REAL300012011007	0	32	0.0	-32.95	302.62	7.55	-25.40
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012011008	0	52	0.0	-37.76	426.31	9.26	-28.50
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300012011009	0	48	0.0	-30.26	412.15	9.87	-20.39
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012011010	0	53	0.0	-32.25	418.94	10.63	-21.62
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012011011	0	45	0.0	-33.00	365.18	11.28	-21.72
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012011012	0	48	0.0	-28.82	395.77	9.37	-19.45
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012011013	0	46	0.0	-31.86	364.89	7.78	-24.08
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012011014	0	35	0.0	-35.69	317.97	8.54	-27.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012011015	0	44	0.0	-36.84	362.62	9.76	-27.08
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012011016	0	44	0.0	-31.26	360.21	9.45	-21.81
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012011017	0	44	0.0	-35.28	360.38	9.53	-25.75
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011018	0	50	0.0	-29.22	383.10	8.35	-20.87
CN1CCN(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)CC1	REAL300012011019	1	52	0.0	-31.29	398.86	6.54	-24.75
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012011020	0	44	0.0	-35.29	371.05	6.31	-28.98
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011021	0	42	0.0	-40.81	347.51	6.15	-34.66
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012011022	0	42	0.0	-36.49	354.95	9.10	-27.39
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011023	0	48	0.0	-30.81	405.07	10.49	-20.32
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012011024	0	42	0.0	-35.86	365.27	9.55	-26.31
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011025	0	48	0.0	-37.60	399.81	10.15	-27.45
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012011026	0	54	0.0	-31.88	436.82	10.90	-20.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012011027	0	42	0.0	-35.23	360.64	8.51	-26.72
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012011028	0	41	0.0	-31.48	335.75	10.09	-21.39
COC1=C2OC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC2=CC=C1	REAL300012011029	0	42	0.0	-35.78	347.04	7.58	-28.20
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012011030	0	46	0.0	-34.15	374.69	10.33	-23.82
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012011031	0	38	0.0	-34.53	337.07	7.10	-27.43
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011032	0	51	0.0	-34.82	413.27	10.48	-24.34
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011033	0	51	0.0	-36.08	425.13	10.87	-25.21
CCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCC(C)C	REAL300012011034	0	55	0.0	-34.39	435.09	10.38	-24.01
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012011035	0	35	0.0	-25.92	315.69	8.36	-17.56
COC1=CC(Br)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012011036	0	43	0.0	-29.15	359.80	7.44	-21.71
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012011037	0	35	0.0	-25.35	315.69	8.37	-16.98
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(OC)=C1	REAL300012011038	0	43	0.0	-32.24	348.64	6.44	-25.80
COC1=CC2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2C=C1	REAL300012011039	0	45	0.0	-32.72	365.10	9.38	-23.34
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CS1	REAL300012011041	0	32	0.0	-27.53	300.52	7.46	-20.07
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC	REAL300012011042	0	55	0.0	-34.05	435.16	10.44	-23.61
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011043	0	48	0.0	-32.72	386.02	9.91	-22.81
COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1OC(F)F	REAL300012011044	0	43	0.0	-28.87	357.97	7.36	-21.51
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012011045	1	39	0.0	-31.53	351.57	8.43	-23.10
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012011046	0	55	0.0	-30.11	429.93	11.10	-19.01
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012011047	0	41	0.0	-40.57	341.34	6.86	-33.71
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012011049	0	35	0.0	-35.10	316.65	8.49	-26.61
CC1=CC=C(COC2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)C=C1	REAL300012011050	0	52	0.0	-33.56	422.39	11.78	-21.78
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012011051	0	50	0.0	-30.83	382.63	9.10	-21.73
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011052	0	54	0.0	-32.70	427.00	11.20	-21.50
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1SC	REAL300012011053	0	43	0.0	-34.57	359.88	8.22	-26.35
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011054	0	46	0.0	-40.63	383.35	9.37	-31.26
CCCCCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC	REAL300012011055	0	55	0.0	-34.57	436.13	10.34	-24.23
CCC(C)OC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC	REAL300012011056	0	52	0.0	-31.89	410.26	9.34	-22.55
CCCCCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011057	0	57	0.0	-32.67	448.49	11.98	-20.69
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCCCC#N	REAL300012011058	0	50	0.0	-40.25	413.98	9.30	-30.95
C=C(C)COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC	REAL300012011059	0	50	0.0	-34.34	402.63	9.30	-25.04
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCCC(C)C	REAL300012011060	0	55	0.0	-33.87	430.88	10.04	-23.83
C=CCC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(OC)=C1O	REAL300012011061	0	47	0.0	-33.24	385.91	7.01	-26.23
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012011062	0	42	0.0	-32.90	350.38	7.73	-25.17
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011063	0	44	0.0	-33.33	369.18	8.76	-24.57
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011064	0	45	0.0	-33.89	388.37	6.39	-27.50
CCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012011065	0	49	0.0	-38.19	413.06	9.36	-28.83
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012011066	0	41	0.0	-31.27	343.94	7.68	-23.59
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012011067	1	41	0.0	-34.92	352.86	8.59	-26.33
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012011068	0	48	0.0	-35.51	383.69	6.96	-28.55
CN1C=NC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC=C21	REAL300012011069	0	41	0.0	-38.59	338.10	9.17	-29.42
CCN1N=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1C	REAL300012011070	0	44	0.0	-33.42	354.67	7.52	-25.90
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Cl	REAL300012011071	0	43	0.0	-35.14	369.93	9.19	-25.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012011072	0	41	0.0	-29.98	353.85	8.75	-21.23
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012011073	0	47	0.0	-26.23	377.41	7.67	-18.56
CC1(C)CC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC=C2O1	REAL300012011074	0	46	0.0	-30.58	368.40	9.05	-21.53
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012011076	0	38	0.0	-28.59	347.51	7.69	-20.90
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011077	0	45	0.0	-27.98	368.63	8.32	-19.66
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012011078	0	38	0.0	-33.16	345.10	9.32	-23.84
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012011079	0	35	0.0	-25.07	324.98	8.86	-16.21
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Br)=C1	REAL300012011080	0	38	0.0	-24.13	328.68	9.01	-15.12
CC(C)COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011081	0	48	0.0	-32.24	383.99	9.59	-22.65
COCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011082	0	46	0.0	-35.08	376.01	7.36	-27.72
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011083	0	50	0.0	-32.08	418.41	11.46	-20.62
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012011084	0	39	0.0	-35.13	346.25	7.99	-27.14
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012011085	0	43	0.0	-33.57	382.76	9.28	-24.29
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Cl	REAL300012011086	0	45	0.0	-28.59	385.61	9.35	-19.24
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])OCO2	REAL300012011087	0	42	0.0	-32.92	343.87	5.84	-27.08
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012011088	0	40	0.0	-29.87	322.28	8.07	-21.80
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011089	0	48	0.0	-33.17	383.92	9.59	-23.58
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011090	0	38	0.0	-27.04	320.35	8.86	-18.18
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012011091	0	39	0.0	-35.69	327.09	9.20	-26.49
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012011092	0	34	0.0	-30.36	307.15	6.62	-23.74
CN1N=NC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC=C21	REAL300012011093	0	40	0.0	-34.32	334.97	6.25	-28.07
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=C2O1	REAL300012011094	0	46	0.0	-24.63	366.08	8.95	-15.68
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012011095	0	40	0.0	-26.97	348.03	8.26	-18.71
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012011096	0	45	0.0	-30.74	369.23	8.92	-21.82
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012011097	0	42	0.0	-38.93	348.00	9.02	-29.91
CC1=C(Br)SC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011098	0	35	0.0	-29.56	322.53	8.30	-21.26
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012011099	0	40	0.0	-25.20	347.12	8.77	-16.43
CC1=NC2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2C=C1	REAL300012011100	0	43	0.0	-33.78	352.35	8.81	-24.97
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)C=C1	REAL300012011101	0	50	0.0	-34.74	409.25	10.00	-24.74
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012011102	0	37	0.0	-29.10	310.22	6.76	-22.34
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)=C1	REAL300012011103	0	51	0.0	-32.64	407.99	12.61	-20.03
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012011104	0	44	0.0	-36.48	359.89	11.33	-25.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012011105	0	38	0.0	-32.98	325.28	8.40	-24.58
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012011106	0	42	0.0	-37.35	354.08	8.37	-28.98
COCC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011107	0	42	0.0	-33.32	346.03	7.59	-25.73
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011108	0	45	0.0	-30.58	386.19	10.11	-20.47
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012011109	0	49	0.0	-30.62	408.66	11.15	-19.47
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011110	0	48	0.0	-24.39	381.82	9.60	-14.79
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012011111	0	46	0.0	-33.41	390.31	11.92	-21.49
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012011112	0	45	0.0	-26.93	365.80	8.59	-18.34
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012011113	0	46	0.0	-31.01	364.47	7.61	-23.40
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011114	0	41	0.0	-35.73	353.72	8.64	-27.09
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011115	0	41	0.0	-30.26	351.95	5.94	-24.32
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011116	0	44	0.0	-42.57	374.57	7.24	-35.33
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012011117	0	39	0.0	-30.59	337.07	6.64	-23.95
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011118	0	39	0.0	-25.11	347.99	9.34	-15.77
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012011119	0	45	0.0	-36.72	381.65	9.54	-27.18
CC1CCC2=C(C1)SC(C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])=N2	REAL300012011120	1	44	0.0	-32.41	360.35	8.21	-24.20
CC(C)(C)C1CCC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])CC1	REAL300012011121	0	53	0.0	-31.50	373.79	9.95	-21.55
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011122	0	49	0.0	-26.39	391.09	10.51	-15.88
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011123	0	49	0.0	-26.79	391.08	10.49	-16.30
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011124	0	48	0.0	-29.96	388.43	8.82	-21.14
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012011125	0	46	0.0	-31.30	372.75	9.63	-21.67
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Cl	REAL300012011126	0	39	0.0	-25.99	347.02	8.02	-17.97
CC(C)CC1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011127	0	43	0.0	-28.29	357.51	7.94	-20.35
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012011128	0	38	0.0	-31.16	347.88	7.90	-23.26
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012011129	0	38	0.0	-29.56	344.99	7.70	-21.86
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])S2)O1	REAL300012011130	0	41	0.0	-32.72	360.69	7.73	-24.99
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011131	0	38	0.0	-27.05	324.91	8.96	-18.09
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012011132	0	35	0.0	-34.81	327.09	8.94	-25.87
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012011133	0	42	0.0	-29.52	351.76	7.66	-21.86
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012011134	0	44	0.0	-28.48	363.77	9.40	-19.08
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012011135	0	38	0.0	-27.91	333.83	8.78	-19.13
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011136	0	46	0.0	-27.18	374.60	7.35	-19.83
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012011137	0	35	0.0	-24.53	324.00	8.86	-15.67
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011138	0	39	0.0	-26.24	340.98	7.85	-18.39
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012011139	1	38	0.0	-26.46	320.29	6.93	-19.53
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012011140	0	42	0.0	-26.18	352.98	8.07	-18.11
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012011141	0	49	0.0	-25.26	398.76	10.50	-14.76
COC1=CC(Br)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(OC)=C1	REAL300012011142	0	43	0.0	-27.93	365.15	6.98	-20.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012011143	0	46	0.0	-28.09	391.09	11.13	-16.96
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012011144	0	50	0.0	-28.23	414.80	9.06	-19.17
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011145	0	54	0.0	-27.42	413.37	11.15	-16.27
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012011146	0	42	0.0	-30.69	356.36	9.78	-20.91
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011147	0	43	0.0	-28.65	356.50	7.55	-21.10
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012011148	0	41	0.0	-32.86	335.54	7.02	-25.84
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012011149	0	35	0.0	-32.81	310.93	8.44	-24.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012011150	0	42	0.0	-33.75	349.79	9.08	-24.67
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012011151	0	45	0.0	-38.90	387.82	10.01	-28.89
CC(C)(C)N1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012011152	0	44	0.0	-34.53	353.73	7.69	-26.84
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011153	0	42	0.0	-39.45	346.08	6.70	-32.75
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012011154	0	37	0.0	-41.61	317.86	8.50	-33.11
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012011155	0	37	0.0	-38.02	317.93	8.49	-29.53
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012011156	0	41	0.0	-27.23	331.97	9.95	-17.28
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011157	0	49	0.0	-30.69	386.16	10.17	-20.52
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012011158	0	35	0.0	-31.65	311.00	8.45	-23.20
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(OC)=C1OC	REAL300012011159	0	47	0.0	-35.05	381.60	6.94	-28.11
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012011160	0	35	0.0	-26.91	308.18	8.16	-18.75
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012011161	0	39	0.0	-27.18	326.72	7.36	-19.82
COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1OC	REAL300012011162	0	43	0.0	-26.11	347.61	6.98	-19.13
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012011163	0	35	0.0	-25.10	320.41	8.76	-16.34
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012011164	0	48	0.0	-29.45	372.84	6.56	-22.89
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012011165	0	43	0.0	-34.63	348.39	7.03	-27.60
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(OC)=C1	REAL300012011166	0	43	0.0	-25.97	346.43	6.37	-19.60
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012011167	0	38	0.0	-33.12	328.37	8.83	-24.29
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012011168	0	35	0.0	-24.57	316.71	8.63	-15.94
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012011169	0	35	0.0	-34.82	322.88	8.84	-25.98
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011170	0	56	0.0	-31.27	439.77	12.95	-18.32
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012011171	0	39	0.0	-32.74	328.96	7.40	-25.34
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012011172	0	38	0.0	-32.35	319.55	8.88	-23.47
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011173	0	48	0.0	-32.50	385.39	9.67	-22.83
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011174	0	51	0.0	-32.37	402.95	10.19	-22.18
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011175	0	54	0.0	-32.42	428.38	11.23	-21.19
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012011176	0	46	0.0	-34.85	378.34	10.68	-24.17
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(OCCC)=C1	REAL300012011177	0	55	0.0	-25.56	435.30	9.91	-15.65
CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012011178	0	46	0.0	-34.46	370.25	7.95	-26.51
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012011179	0	38	0.0	-28.81	328.39	8.76	-20.05
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(OC)=C1OC	REAL300012011180	0	47	0.0	-27.76	381.54	6.96	-20.80
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012011181	0	53	0.0	-36.50	431.47	11.04	-25.46
CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011182	0	42	0.0	-24.69	338.82	8.02	-16.67
CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011183	0	42	0.0	-32.67	342.39	8.09	-24.58
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011184	0	39	0.0	-26.39	338.26	7.70	-18.69
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(Br)=C1O	REAL300012011185	0	40	0.0	-35.33	351.63	5.64	-29.69
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012011186	0	45	0.0	-32.64	365.24	11.28	-21.36
COC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012011187	0	45	0.0	-29.56	360.07	9.30	-20.26
CSC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011188	0	39	0.0	-32.71	331.25	8.89	-23.82
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012011189	0	35	0.0	-25.49	319.09	8.63	-16.86
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011190	0	47	0.0	-28.41	375.66	6.29	-22.12
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011191	0	45	0.0	-32.37	384.34	9.85	-22.52
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012011192	0	49	0.0	-29.01	400.93	11.04	-17.97
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1Br	REAL300012011193	0	35	0.0	-26.72	300.48	8.23	-18.49
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1O	REAL300012011194	0	40	0.0	-30.36	329.09	4.87	-25.49
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011195	0	38	0.0	-30.38	327.79	6.47	-23.91
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012011196	0	38	0.0	-33.29	333.20	6.98	-26.31
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012011197	0	47	0.0	-25.86	355.25	7.68	-18.18
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1I	REAL300012011198	0	35	0.0	-25.38	304.06	8.59	-16.79
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012011199	0	43	0.0	-31.30	368.10	7.01	-24.29
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012011200	0	52	0.0	-40.49	413.99	11.05	-29.44
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011201	0	47	0.0	-36.62	385.21	9.72	-26.90
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012011202	0	45	0.0	-26.83	365.57	9.38	-17.45
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1OC	REAL300012011203	0	46	0.0	-25.84	369.41	7.90	-17.94
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC(N)=O	REAL300012011204	0	47	0.0	-42.98	388.36	5.02	-37.96
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011205	0	41	0.0	-27.04	346.76	8.64	-18.40
CCNC(=O)COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012011206	0	53	0.0	-45.42	430.39	7.27	-38.15
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012011207	0	42	0.0	-35.33	346.57	5.75	-29.58
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012011208	0	41	0.0	-31.13	345.46	7.65	-23.48
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])OC(C)C2	REAL300012011209	0	47	0.0	-28.06	373.97	7.68	-20.38
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012011210	0	51	0.0	-42.37	420.19	4.78	-37.59
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012011211	0	47	0.0	-42.85	408.26	5.68	-37.17
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CS1	REAL300012011212	0	44	0.0	-33.56	369.86	7.69	-25.87
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1C	REAL300012011213	0	42	0.0	-28.79	338.40	7.77	-21.02
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011214	0	44	0.0	-26.59	336.17	6.59	-20.00
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011215	0	43	0.0	-30.17	347.34	6.59	-23.58
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011216	0	39	0.0	-30.56	324.98	7.14	-23.42
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(I)=C1	REAL300012011217	0	35	0.0	-33.20	318.74	8.96	-24.24
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(I)C=C1	REAL300012011218	0	35	0.0	-31.49	317.49	8.92	-22.57
CSC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011219	0	36	0.0	-29.61	324.50	8.13	-21.48
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012011220	0	45	0.0	-32.27	384.93	8.62	-23.65
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011221	0	48	0.0	-24.19	380.04	11.56	-12.63
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012011222	0	38	0.0	-35.27	317.05	6.51	-28.76
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011223	0	41	0.0	-38.85	350.41	5.34	-33.51
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012011224	0	45	0.0	-33.29	381.97	11.80	-21.49
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011225	0	39	0.0	-27.17	323.36	7.15	-20.02
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1F	REAL300012011226	0	39	0.0	-35.26	326.69	7.24	-28.02
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011227	0	39	0.0	-26.44	333.70	7.59	-18.85
COC(=O)C1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CN1C	REAL300012011228	0	42	0.0	-40.07	349.07	8.02	-32.05
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Cl	REAL300012011229	0	38	0.0	-30.42	326.42	8.98	-21.44
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1C	REAL300012011230	0	42	0.0	-31.58	340.54	7.92	-23.66
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012011231	0	48	0.0	-31.17	395.01	9.39	-21.78
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012011232	0	34	0.0	-28.58	307.32	6.63	-21.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012011233	0	44	0.0	-30.96	364.67	5.12	-25.84
C#CCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011234	0	44	0.0	-32.55	368.35	9.37	-23.18
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C12	REAL300012011235	0	43	0.0	-37.84	355.91	7.56	-30.28
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012011237	0	38	0.0	-29.68	334.73	8.87	-20.81
CCOCC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC	REAL300012011238	0	49	0.0	-29.84	393.23	8.04	-21.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012011239	0	38	0.0	-32.05	328.23	7.35	-24.70
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012011240	0	44	0.0	-30.66	380.61	7.28	-23.38
COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1F	REAL300012011241	0	39	0.0	-26.80	323.70	7.06	-19.74
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012011242	0	35	0.0	-26.48	312.21	8.23	-18.25
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC=C1Br	REAL300012011243	0	32	0.0	-24.37	299.28	7.32	-17.05
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011244	0	48	0.0	-24.31	380.42	9.51	-14.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012011245	1	41	0.0	-26.33	339.51	7.54	-18.79
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012011246	0	35	0.0	-32.03	317.35	8.51	-23.52
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012011247	0	40	0.0	-35.26	331.96	8.34	-26.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012011248	0	35	0.0	-24.60	310.82	8.31	-16.29
COC1=CC(F)=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011249	0	39	0.0	-32.84	326.95	7.23	-25.61
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012011250	0	35	0.0	-26.82	317.14	8.43	-18.39
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012011251	0	45	0.0	-33.02	361.27	7.79	-25.23
CS(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011252	0	40	0.0	-44.73	341.92	6.42	-38.31
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012011253	0	45	0.0	-28.16	353.68	10.30	-17.86
COC(=O)C1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CN1	REAL300012011254	0	39	0.0	-40.97	332.62	6.31	-34.66
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1OC	REAL300012011255	0	46	0.0	-33.91	361.44	7.66	-26.25
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012011256	0	32	0.0	-25.38	311.94	7.80	-17.58
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011257	0	42	0.0	-25.01	338.37	7.75	-17.26
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012011258	0	34	0.0	-33.19	315.78	6.23	-26.96
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011259	0	41	0.0	-40.70	351.66	5.39	-35.31
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012011260	0	48	0.0	-30.08	373.26	11.01	-19.07
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011261	0	38	0.0	-30.22	329.12	8.97	-21.25
COCC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011262	0	42	0.0	-32.16	344.77	7.55	-24.61
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012011263	0	42	0.0	-31.85	347.33	9.50	-22.35
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012011264	0	45	0.0	-30.98	355.87	8.32	-22.66
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011265	0	45	0.0	-25.93	362.66	9.36	-16.57
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012011266	0	38	0.0	-32.82	323.21	8.73	-24.09
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=N1	REAL300012011267	0	44	0.0	-29.49	346.71	5.46	-24.03
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011268	0	39	0.0	-29.01	333.22	7.63	-21.38
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011269	0	45	0.0	-27.59	353.92	8.38	-19.21
CC1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012011270	0	45	0.0	-28.52	370.01	10.09	-18.43
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1C	REAL300012011271	0	47	0.0	-32.57	374.05	8.20	-24.37
COCCN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012011272	0	42	0.0	-30.20	346.84	5.45	-24.75
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012011273	0	45	0.0	-30.23	355.47	10.41	-19.82
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012011274	0	45	0.0	-32.49	365.44	9.47	-23.02
CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1F	REAL300012011275	0	42	0.0	-36.69	347.23	8.13	-28.56
COC1=CC=CC2=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=CC=C12	REAL300012011276	0	45	0.0	-28.49	360.33	9.30	-19.19
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1C#N	REAL300012011277	0	40	0.0	-39.11	340.68	7.59	-31.52
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011278	0	45	0.0	-28.91	366.34	9.69	-19.22
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012011279	0	34	0.0	-33.65	316.38	6.17	-27.48
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012011280	0	42	0.0	-33.81	354.89	6.17	-27.64
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Br)=C1	REAL300012011281	0	39	0.0	-24.22	334.58	7.56	-16.66
CC(C)CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012011282	0	44	0.0	-29.76	356.64	8.01	-21.75
CC1=CC(Br)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011283	0	35	0.0	-28.25	321.09	8.27	-19.98
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011284	0	50	0.0	-38.35	400.66	10.58	-27.77
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011285	0	45	0.0	-26.86	377.12	10.46	-16.40
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC=C21	REAL300012011286	0	46	0.0	-38.08	365.51	8.72	-29.36
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011287	0	50	0.0	-26.24	416.60	11.11	-15.13
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011288	0	42	0.0	-26.91	348.13	8.03	-18.88
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012011289	0	41	0.0	-30.63	372.73	9.35	-21.28
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012011290	0	41	0.0	-32.62	360.52	9.07	-23.55
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011291	0	52	0.0	-27.35	416.58	11.30	-16.05
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012011292	0	46	0.0	-26.56	389.39	10.18	-16.38
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012011293	0	50	0.0	-38.49	417.78	8.23	-30.26
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011294	0	44	0.0	-29.20	354.40	7.51	-21.69
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012011295	0	40	0.0	-32.25	347.88	8.79	-23.46
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012011296	0	44	0.0	-28.85	362.90	8.43	-20.42
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012011297	0	41	0.0	-33.41	364.17	9.05	-24.36
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012011298	0	38	0.0	-29.14	327.57	7.39	-21.75
CC(C)C1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011299	0	40	0.0	-29.36	339.95	7.12	-22.24
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012011300	0	38	0.0	-32.00	336.63	6.83	-25.17
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012011301	0	35	0.0	-34.74	327.09	8.94	-25.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012011302	0	47	0.0	-30.59	400.57	10.32	-20.27
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)C=N1	REAL300012011303	0	45	0.0	-36.30	369.83	9.13	-27.17
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012011304	0	38	0.0	-30.65	326.16	6.69	-23.96
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012011305	0	46	0.0	-34.82	386.07	10.80	-24.02
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012011306	0	45	0.0	-30.39	370.70	8.82	-21.57
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012011307	0	46	0.0	-39.27	387.65	9.46	-29.81
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N1	REAL300012011308	0	43	0.0	-36.59	345.74	5.91	-30.68
NC(=O)C1=CSC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011309	0	36	0.0	-33.41	317.32	3.67	-29.74
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012011310	0	49	0.0	-34.25	398.01	10.26	-23.99
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011311	0	47	0.0	-32.39	375.84	8.09	-24.30
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012011312	0	41	0.0	-29.32	345.54	7.92	-21.40
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012011313	0	42	0.0	-32.36	353.45	6.05	-26.31
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N=N1	REAL300012011314	0	44	0.0	-31.02	365.08	8.58	-22.44
CN1N=C(Br)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011315	0	35	0.0	-32.41	313.32	5.87	-26.54
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])S2)C=N1	REAL300012011316	0	42	0.0	-32.02	362.78	8.41	-23.61
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012011317	0	47	0.0	-33.74	368.70	8.71	-25.03
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011318	0	42	0.0	-25.88	358.44	8.69	-17.19
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011319	0	41	0.0	-23.94	327.88	8.90	-15.04
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012011320	0	35	0.0	-28.06	323.94	8.85	-19.21
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011321	0	46	0.0	-30.41	376.61	8.24	-22.17
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012011322	0	39	0.0	-30.85	340.98	7.74	-23.11
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012011323	0	42	0.0	-28.55	347.68	8.55	-20.00
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012011324	0	48	0.0	-33.19	385.99	9.89	-23.30
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012011325	0	48	0.0	-25.21	384.82	9.30	-15.91
CC(C)C1=CN=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011326	1	40	0.0	-32.21	339.17	7.15	-25.06
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012011327	0	45	0.0	-37.00	387.19	10.04	-26.96
CC1=CC(Br)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Cl	REAL300012011328	0	38	0.0	-26.12	340.62	9.49	-16.63
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012011329	0	45	0.0	-26.38	388.06	9.70	-16.68
CC(C)(C)C1=CN=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011330	1	43	0.0	-25.95	357.32	7.59	-18.36
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012011331	0	38	0.0	-28.68	326.47	7.24	-21.44
N#CCCN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012011332	0	48	0.0	-37.60	406.43	8.54	-29.06
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012011333	0	41	0.0	-27.65	348.15	11.42	-16.23
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011334	0	45	0.0	-37.34	369.08	8.36	-28.98
COCCCN1N=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011335	0	45	0.0	-27.54	361.50	6.07	-21.47
CC1=CC(F)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Cl)=C1	REAL300012011336	0	38	0.0	-28.09	331.81	8.97	-19.12
COCCOCC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011337	0	49	0.0	-34.22	401.58	7.82	-26.40
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012011339	0	35	0.0	-23.60	307.81	7.65	-15.95
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012011340	0	41	0.0	-31.92	361.49	10.36	-21.56
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012011341	0	49	0.0	-40.30	413.07	10.24	-30.06
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012011342	0	38	0.0	-34.49	328.43	6.83	-27.66
CC1=CC(F)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(F)=C1	REAL300012011343	0	38	0.0	-30.51	322.99	8.60	-21.91
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])O1	REAL300012011344	0	45	0.0	-34.29	368.39	8.62	-25.67
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011345	0	44	0.0	-26.29	346.23	7.80	-18.49
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012011346	0	34	0.0	-29.63	318.14	7.01	-22.62
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CN1	REAL300012011347	0	42	0.0	-30.06	346.40	6.74	-23.32
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])S2)C=C1C	REAL300012011348	0	47	0.0	-30.05	392.22	9.95	-20.10
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011349	0	45	0.0	-32.70	371.70	9.68	-23.02
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011350	0	45	0.0	-30.84	379.42	10.21	-20.63
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011351	0	48	0.0	-30.74	390.87	10.27	-20.47
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011352	0	45	0.0	-37.88	366.33	9.78	-28.10
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012011353	0	42	0.0	-29.55	335.63	7.19	-22.36
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012011354	0	41	0.0	-29.74	340.46	7.42	-22.32
COC1=CC(OC)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1F	REAL300012011355	0	43	0.0	-30.45	354.80	6.54	-23.91
COC1=CC(F)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012011356	0	43	0.0	-32.59	352.92	7.02	-25.57
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Cl)=C1	REAL300012011357	0	38	0.0	-24.61	325.09	8.92	-15.69
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300012011358	0	49	0.0	-29.50	411.06	11.28	-18.22
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011359	0	48	0.0	-30.96	390.93	10.26	-20.70
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(F)=C1	REAL300012011360	0	39	0.0	-26.97	326.04	7.12	-19.85
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011361	0	39	0.0	-29.89	324.48	7.25	-22.64
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1	REAL300012011362	0	48	0.0	-27.88	378.61	9.45	-18.43
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012011363	0	37	0.0	-31.59	321.84	7.56	-24.03
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012011364	0	38	0.0	-32.03	338.83	8.90	-23.13
CCC1=C2OC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC2=CC=C1	REAL300012011365	0	44	0.0	-32.21	360.44	9.72	-22.49
C=CCCN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N=N1	REAL300012011366	0	41	0.0	-37.92	343.51	6.46	-31.46
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012011367	0	42	0.0	-29.60	344.18	7.81	-21.79
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012011368	0	43	0.0	-27.95	356.90	8.80	-19.15
CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1	REAL300012011369	0	45	0.0	-28.20	357.16	8.65	-19.55
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012011370	0	39	0.0	-28.20	333.16	7.43	-20.77
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012011371	0	39	0.0	-29.43	335.27	7.51	-21.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012011372	0	48	0.0	-30.72	375.19	11.08	-19.64
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012011373	0	45	0.0	-34.25	368.45	6.54	-27.71
COCC1=CSC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011374	0	39	0.0	-29.84	336.50	6.64	-23.20
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012011375	0	41	0.0	-37.10	333.16	6.27	-30.83
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012011376	0	41	0.0	-31.17	372.74	9.35	-21.82
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012011377	0	35	0.0	-29.75	321.60	7.95	-21.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012011378	0	35	0.0	-30.01	311.63	7.18	-22.83
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012011379	0	35	0.0	-26.02	308.01	7.86	-18.16
CN(C)C1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=CC(F)=C1F	REAL300012011380	0	43	0.0	-25.99	347.98	7.73	-18.26
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012011381	0	35	0.0	-29.18	314.85	8.31	-20.87
CC(C)OC1=CC(Cl)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Cl	REAL300012011382	0	45	0.0	-25.57	386.83	9.57	-16.00
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012011383	0	47	0.0	-34.02	376.30	7.52	-26.50
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1F	REAL300012011384	0	43	0.0	-30.36	356.45	7.45	-22.91
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011385	0	49	0.0	-36.09	391.41	9.56	-26.53
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012011386	0	35	0.0	-30.62	308.17	8.04	-22.58
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012011387	0	42	0.0	-33.70	359.19	8.16	-25.54
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012011388	0	47	0.0	-35.41	404.43	9.24	-26.17
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC1CC1	REAL300012011389	0	47	0.0	-35.31	380.75	8.74	-26.57
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011390	0	38	0.0	-29.94	330.03	6.30	-23.64
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011391	0	49	0.0	-33.09	392.62	8.07	-25.02
CCCC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011392	0	41	0.0	-28.31	344.80	9.28	-19.03
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300012011393	0	49	0.0	-27.51	411.02	11.39	-16.12
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012011394	0	42	0.0	-33.03	358.40	10.48	-22.55
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012011395	0	48	0.0	-27.65	383.64	9.93	-17.72
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012011396	0	42	0.0	-27.19	366.03	8.58	-18.61
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012011397	0	51	0.0	-31.31	390.31	9.81	-21.50
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012011398	0	48	0.0	-27.89	382.04	11.32	-16.57
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011399	0	43	0.0	-28.85	363.78	7.03	-21.82
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=NC=C1Br	REAL300012011400	0	37	0.0	-34.41	325.81	7.22	-27.19
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(Br)C=C1F	REAL300012011401	0	38	0.0	-28.53	330.16	9.03	-19.50
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012011402	0	36	0.0	-31.22	314.32	5.43	-25.79
CN1C=C(C2=NC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CS2)C=N1	REAL300012011403	0	41	0.0	-31.46	359.22	6.40	-25.06
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1Cl	REAL300012011404	0	39	0.0	-33.93	336.50	7.72	-26.21
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012011405	0	45	0.0	-27.40	358.59	8.25	-19.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012011406	0	41	0.0	-38.61	348.98	7.66	-30.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012011407	0	41	0.0	-28.83	340.26	9.37	-19.46
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Br)=N1	REAL300012011408	0	35	0.0	-32.15	312.28	6.01	-26.14
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011409	0	42	0.0	-36.99	347.07	6.77	-30.22
CN1N=CC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CN=C21	REAL300012011410	0	40	0.0	-37.76	333.95	6.96	-30.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012011411	0	34	0.0	-29.86	312.69	6.66	-23.20
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012011412	0	43	0.0	-29.94	357.88	7.37	-22.57
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012011413	0	41	0.0	-33.40	350.70	9.61	-23.79
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011414	0	55	0.0	-35.78	437.54	8.28	-27.50
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011415	0	45	0.0	-29.12	353.85	7.76	-21.36
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(C)N1	REAL300012011416	0	48	0.0	-36.10	389.35	8.20	-27.90
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012011417	0	34	0.0	-33.11	307.26	6.45	-26.66
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012011418	0	45	0.0	-31.44	382.75	11.79	-19.65
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012011419	0	35	0.0	-29.05	321.16	8.54	-20.51
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Br)SC=C1	REAL300012011420	0	32	0.0	-25.73	297.72	7.47	-18.26
CCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(F)C=C1OC	REAL300012011421	0	46	0.0	-32.95	376.05	7.97	-24.98
COC1=NC=C(Br)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011422	0	38	0.0	-26.43	338.04	5.18	-21.25
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012011423	0	41	0.0	-31.56	334.17	9.95	-21.61
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CN=C1Br	REAL300012011424	0	34	0.0	-27.67	301.59	6.56	-21.11
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(F)C=C1Br	REAL300012011425	0	39	0.0	-32.67	345.38	7.81	-24.86
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012011426	0	35	0.0	-25.45	323.08	8.81	-16.64
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012011427	0	39	0.0	-26.33	339.90	7.65	-18.68
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011428	0	45	0.0	-26.07	363.14	8.70	-17.37
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011429	0	42	0.0	-32.49	348.74	8.17	-24.32
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012011430	0	49	0.0	-41.56	386.97	8.88	-32.68
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012011431	0	39	0.0	-27.61	333.63	7.32	-20.29
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011432	0	48	0.0	-33.58	371.37	9.02	-24.56
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011433	0	38	0.0	-26.45	318.27	8.72	-17.73
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(F)C=C1C	REAL300012011434	0	42	0.0	-31.10	345.09	7.90	-23.20
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1Br	REAL300012011435	0	41	0.0	-30.13	337.12	9.41	-20.72
CC1=CC=NC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Br	REAL300012011436	0	37	0.0	-27.94	321.07	7.07	-20.87
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011437	0	52	0.0	-36.68	411.79	8.06	-28.62
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012011438	0	45	0.0	-28.40	381.14	9.04	-19.36
CC(C)(C)C1=CSC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=N1	REAL300012011439	1	43	0.0	-32.44	355.29	7.54	-24.90
COCCC1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011440	0	41	0.0	-29.71	350.69	5.51	-24.20
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012011442	1	36	0.0	-27.91	325.99	5.62	-22.29
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012011443	1	36	0.0	-29.30	313.25	5.14	-24.16
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011444	0	43	0.0	-29.91	353.27	7.46	-22.45
CCN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012011445	0	48	0.0	-29.29	385.84	9.62	-19.67
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012011446	0	43	0.0	-29.88	337.24	7.84	-22.04
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1C	REAL300012011447	0	51	0.0	-29.53	389.18	9.01	-20.52
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012011448	0	37	0.0	-41.15	317.47	8.37	-32.78
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011449	0	49	0.0	-34.24	413.91	11.91	-22.33
CC1=C(Br)C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011450	0	35	0.0	-28.24	323.57	8.31	-19.93
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012011451	0	45	0.0	-32.14	380.58	11.76	-20.38
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012011452	0	40	0.0	-32.67	323.74	8.03	-24.64
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1C	REAL300012011453	0	48	0.0	-29.25	383.91	9.58	-19.67
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012011454	0	39	0.0	-37.11	325.69	6.25	-30.86
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012011455	0	53	0.0	-31.48	428.91	10.60	-20.88
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012011456	0	49	0.0	-32.71	403.19	8.80	-23.91
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011457	0	42	0.0	-30.74	345.02	8.12	-22.62
CC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011458	0	38	0.0	-31.75	331.74	8.87	-22.88
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012011459	0	40	0.0	-31.95	329.42	8.85	-23.10
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011460	0	43	0.0	-33.32	346.19	9.33	-23.99
COC1=CC=C(CN2C=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])N=N2)C=C1	REAL300012011461	0	48	0.0	-34.06	397.38	7.47	-26.59
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(F)=C1OC	REAL300012011462	0	43	0.0	-29.03	359.03	7.13	-21.90
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(F)=C1	REAL300012011463	0	41	0.0	-29.94	351.33	8.48	-21.46
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012011464	0	45	0.0	-36.35	376.35	8.20	-28.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012011465	0	49	0.0	-34.49	400.98	11.10	-23.39
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012011466	0	42	0.0	-28.68	353.74	8.40	-20.28
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011467	0	53	0.0	-24.58	427.96	11.16	-13.42
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011468	0	51	0.0	-32.46	407.87	10.91	-21.55
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011469	0	42	0.0	-32.41	339.61	9.15	-23.26
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012011471	0	41	0.0	-28.88	372.61	9.17	-19.71
COC1=CC=C(C2=NC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CS2)C=C1	REAL300012011472	0	45	0.0	-29.60	385.32	7.97	-21.63
CC1=C2C=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=NC2=NN1	REAL300012011474	0	40	0.0	-38.94	334.03	6.39	-32.55
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011475	0	43	0.0	-38.75	363.23	4.54	-34.21
CN1N=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012011476	0	41	0.0	-33.53	340.98	7.78	-25.75
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011477	0	35	0.0	-31.70	322.29	7.01	-24.69
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012011478	0	40	0.0	-25.23	324.09	7.96	-17.27
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012011479	0	41	0.0	-31.42	335.21	8.69	-22.73
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011480	0	55	0.0	-28.06	411.44	9.87	-18.19
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012011481	0	41	0.0	-33.88	347.22	6.10	-27.78
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011482	0	40	0.0	-28.61	343.01	6.89	-21.72
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011483	0	46	0.0	-27.73	383.31	8.15	-19.58
CCCC(C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012011484	0	47	0.0	-26.36	366.95	10.40	-15.96
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012011485	0	40	0.0	-28.81	344.73	8.74	-20.07
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012011486	0	35	0.0	-32.20	321.85	8.11	-24.09
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012011487	0	52	0.0	-28.23	423.02	8.58	-19.65
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012011488	0	37	0.0	-26.78	342.62	7.82	-18.96
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012011489	0	46	0.0	-33.26	370.24	9.25	-24.01
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011490	0	45	0.0	-38.47	372.70	10.51	-27.96
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011491	0	44	0.0	-30.40	381.26	9.46	-20.94
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012011492	0	54	0.0	-33.00	428.02	11.37	-21.63
CC(C)C1CCC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])CC1	REAL300012011493	0	50	0.0	-31.64	360.88	9.66	-21.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012011494	0	38	0.0	-33.98	350.88	9.15	-24.83
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012011495	0	38	0.0	-29.76	338.01	8.94	-20.82
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011496	0	46	0.0	-37.56	377.10	9.26	-28.30
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011497	0	49	0.0	-34.79	389.48	9.47	-25.32
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011498	0	45	0.0	-24.69	361.30	8.55	-16.14
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012011499	0	44	0.0	-32.72	365.27	9.50	-23.22
COC1=CC=C(N2C=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=N2)C=C1	REAL300012011500	0	46	0.0	-37.46	379.28	8.38	-29.08
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011501	0	50	0.0	-31.22	412.94	11.28	-19.94
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012011502	0	37	0.0	-31.18	329.13	5.80	-25.38
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NC=C1Br	REAL300012011503	0	34	0.0	-27.29	301.89	6.67	-20.62
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011504	0	38	0.0	-37.46	341.92	4.42	-33.04
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012011505	0	55	0.0	-27.26	434.54	11.76	-15.50
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012011506	0	41	0.0	-28.78	338.13	8.49	-20.29
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(F)=C1	REAL300012011507	0	40	0.0	-39.73	347.53	2.73	-37.00
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011509	0	37	0.0	-29.33	320.19	7.09	-22.24
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011510	0	38	0.0	-31.69	325.73	6.30	-25.39
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011511	0	42	0.0	-29.60	341.69	7.46	-22.14
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011512	0	45	0.0	-29.21	358.07	7.95	-21.26
CC1=C2C=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])NC2=CC=C1	REAL300012011513	0	42	0.0	-29.68	341.67	8.31	-21.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012011514	0	41	0.0	-30.95	341.09	6.90	-24.05
CC1=CC=C2C=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])NC2=C1	REAL300012011515	0	42	0.0	-29.65	342.08	8.33	-21.32
CCOC1=CN=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011516	0	41	0.0	-30.09	335.95	6.17	-23.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012011517	0	46	0.0	-28.79	362.47	6.29	-22.50
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011518	0	43	0.0	-36.53	330.48	8.26	-28.27
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012011519	1	38	0.0	-40.80	322.32	5.30	-35.50
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012011520	0	37	0.0	-34.26	320.38	6.95	-27.31
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011521	0	44	0.0	-30.17	362.18	8.18	-21.99
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012011522	0	45	0.0	-33.53	364.17	5.27	-28.26
COC1=CN=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1C	REAL300012011523	0	41	0.0	-29.06	328.07	5.82	-23.24
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1	REAL300012011524	0	48	0.0	-33.32	380.99	10.99	-22.33
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012011525	0	55	0.0	-34.30	429.74	6.69	-27.61
CC(C)(C)OC(=O)NC(C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])CC(F)F	REAL300012011526	0	51	0.0	-33.99	401.20	6.72	-27.27
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012011527	0	45	0.0	-39.65	365.99	5.38	-34.27
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011528	0	43	0.0	-25.35	345.81	7.77	-17.58
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012011529	0	40	0.0	-40.69	338.45	8.30	-32.39
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1C	REAL300012011530	0	48	0.0	-33.74	376.57	10.85	-22.89
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011531	0	40	0.0	-38.96	343.89	2.78	-36.18
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012011532	0	44	0.0	-29.87	342.62	8.26	-21.61
CC1=NN(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Cl	REAL300012011533	0	38	0.0	-27.34	327.84	6.44	-20.90
CN1C=CC(C2=NC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CS2)=N1	REAL300012011534	0	41	0.0	-42.28	360.62	6.34	-35.94
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012011535	0	48	0.0	-29.03	379.30	8.70	-20.33
CC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Br	REAL300012011536	0	38	0.0	-24.31	325.47	8.92	-15.39
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012011537	0	46	0.0	-28.88	383.93	10.63	-18.25
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012011538	0	43	0.0	-29.78	344.68	8.44	-21.34
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011539	0	45	0.0	-40.74	361.47	7.68	-33.06
CCC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Cl)=NN1	REAL300012011540	0	38	0.0	-32.20	322.30	6.00	-26.20
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012011541	0	39	0.0	-32.31	336.00	6.78	-25.53
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012011542	0	47	0.0	-28.56	362.24	8.94	-19.62
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012011543	0	50	0.0	-23.84	380.60	9.69	-14.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012011544	0	34	0.0	-38.37	316.65	5.97	-32.40
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012011545	0	38	0.0	-34.86	330.23	8.82	-26.04
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1C	REAL300012011546	0	44	0.0	-31.61	359.66	8.92	-22.69
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1	REAL300012011547	0	42	0.0	-28.28	335.25	7.73	-20.55
CC1=C(Cl)C=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Cl	REAL300012011548	0	38	0.0	-23.93	334.28	9.19	-14.74
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011549	0	36	0.0	-29.69	321.28	8.61	-21.08
CC1CC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC=C2O1	REAL300012011550	0	43	0.0	-32.96	348.00	8.48	-24.48
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012011551	0	38	0.0	-31.65	322.73	5.30	-26.35
CSCC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011552	0	42	0.0	-32.10	355.83	9.71	-22.39
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012011553	0	45	0.0	-35.45	363.20	8.62	-26.83
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011554	0	43	0.0	-32.95	346.29	5.47	-27.48
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011555	0	42	0.0	-30.74	337.70	7.28	-23.46
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012011556	0	42	0.0	-31.11	338.49	7.61	-23.50
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012011557	0	42	0.0	-31.30	336.98	7.51	-23.79
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011558	0	48	0.0	-27.45	393.27	9.34	-18.11
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011559	0	45	0.0	-28.52	373.33	8.68	-19.84
COC1=CC=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011560	0	42	0.0	-29.13	333.98	7.69	-21.44
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=C21	REAL300012011561	0	41	0.0	-30.22	327.24	8.96	-21.26
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011562	0	45	0.0	-39.83	360.76	7.67	-32.16
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011563	0	45	0.0	-39.66	367.67	6.95	-32.71
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011564	0	47	0.0	-24.19	334.53	9.92	-14.27
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012011565	0	45	0.0	-33.78	347.05	8.25	-25.53
COC1=CC=C2SC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC2=C1	REAL300012011566	0	42	0.0	-31.61	357.97	8.68	-22.93
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011567	0	51	0.0	-39.81	402.04	9.60	-30.21
CCN1CCC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC=C21	REAL300012011568	0	47	0.0	-31.43	363.41	8.01	-23.42
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011569	0	48	0.0	-40.27	383.89	8.72	-31.55
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=NN1C(C)C	REAL300012011570	0	44	0.0	-31.78	353.93	7.58	-24.20
CSC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Cl	REAL300012011571	0	39	0.0	-34.85	344.87	9.30	-25.55
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012011572	0	45	0.0	-30.65	357.99	10.49	-20.16
CCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=N1	REAL300012011573	0	41	0.0	-32.13	337.77	5.37	-26.76
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1C1CC1	REAL300012011574	0	45	0.0	-27.84	358.01	10.42	-17.42
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C(C)=C2)C=C1	REAL300012011575	0	48	0.0	-32.01	386.65	10.13	-21.88
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012011576	0	41	0.0	-33.49	362.23	9.74	-23.75
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011577	0	45	0.0	-30.58	381.35	10.11	-20.47
CCC1=CC(Br)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011578	0	38	0.0	-24.82	344.02	9.03	-15.79
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)C=C1Cl	REAL300012011579	0	45	0.0	-36.86	386.63	10.10	-26.76
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])O2)N1	REAL300012011580	0	42	0.0	-37.36	359.57	6.60	-30.76
COCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])O1	REAL300012011581	1	43	0.0	-34.95	358.92	6.58	-28.37
CC(C)(C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012011582	0	44	0.0	-30.62	360.34	10.15	-20.47
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011583	0	47	0.0	-33.03	374.41	8.18	-24.85
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012011584	0	35	0.0	-31.85	328.99	8.99	-22.86
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1	REAL300012011585	0	51	0.0	-23.24	399.42	12.14	-11.10
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012011586	0	42	0.0	-33.39	343.68	7.77	-25.62
COC1=CC=CC(C2=CSC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=N2)=C1	REAL300012011587	1	45	0.0	-28.34	382.23	7.83	-20.51
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011588	0	55	0.0	-35.46	438.93	8.32	-27.14
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011589	0	47	0.0	-37.57	384.45	7.23	-30.34
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012011590	0	52	0.0	-40.83	404.53	9.75	-31.08
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011591	0	42	0.0	-29.08	341.98	7.42	-21.66
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011592	0	45	0.0	-33.10	362.35	10.72	-22.38
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012011593	0	38	0.0	-28.73	353.26	9.70	-19.03
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012011594	0	39	0.0	-25.64	336.71	6.19	-19.45
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012011595	1	45	0.0	-32.52	361.94	4.21	-28.31
COC1=NC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1F	REAL300012011596	0	38	0.0	-28.51	323.66	4.56	-23.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012011597	0	35	0.0	-24.86	321.66	8.68	-16.18
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012011598	0	35	0.0	-29.68	321.89	8.57	-21.11
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012011599	0	35	0.0	-37.27	308.36	7.76	-29.51
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012011600	0	47	0.0	-29.04	374.93	9.36	-19.68
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012011601	0	44	0.0	-40.10	369.13	8.14	-31.96
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])CC1	REAL300012011602	0	55	0.0	-39.27	414.68	8.89	-30.38
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011603	0	37	0.0	-26.02	318.30	7.04	-18.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012011604	0	41	0.0	-39.69	364.84	5.79	-33.90
CC1OC2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2C1C	REAL300012011605	0	46	0.0	-30.53	364.39	8.91	-21.62
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC(F)F	REAL300012011606	0	42	0.0	-30.88	350.36	8.19	-22.69
CC1=NC(Cl)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Br	REAL300012011607	0	37	0.0	-26.42	336.40	7.58	-18.84
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011608	0	47	0.0	-25.36	361.31	10.25	-15.11
CN1N=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012011609	0	41	0.0	-32.93	335.62	2.94	-29.99
CCOC1=CC(Br)=CC(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011610	0	42	0.0	-26.75	365.45	8.65	-18.10
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012011611	0	38	0.0	-31.74	328.71	5.66	-26.08
CC(C)CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N=N1	REAL300012011612	0	43	0.0	-31.21	350.54	6.72	-24.49
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012011613	1	38	0.0	-26.50	326.82	7.03	-19.47
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012011614	0	35	0.0	-35.07	310.78	5.15	-29.92
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=CS1	REAL300012011615	0	38	0.0	-46.00	334.77	4.69	-41.31
CSC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011616	0	39	0.0	-33.09	329.86	8.84	-24.25
CC(C)C1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N(C)N=C1	REAL300012011617	0	44	0.0	-29.22	353.10	7.30	-21.92
CC1=C(Br)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(C)S1	REAL300012011618	0	38	0.0	-27.28	339.83	8.76	-18.52
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012011619	0	45	0.0	-34.42	375.92	8.99	-25.43
CCCN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=N1	REAL300012011620	0	44	0.0	-30.94	354.47	7.76	-23.18
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012011621	0	42	0.0	-29.03	356.18	10.05	-18.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012011622	0	43	0.0	-31.78	350.18	8.80	-22.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012011623	0	39	0.0	-26.79	342.53	7.61	-19.18
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012011624	0	41	0.0	-35.35	362.16	9.75	-25.60
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1	REAL300012011625	0	48	0.0	-33.19	386.17	10.82	-22.37
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)C=N1	REAL300012011626	0	48	0.0	-37.60	388.76	11.47	-26.13
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011627	0	42	0.0	-42.06	346.12	6.10	-35.96
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012011628	0	49	0.0	-29.70	384.67	11.85	-17.85
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011630	0	45	0.0	-42.08	368.93	6.99	-35.09
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012011631	0	41	0.0	-33.36	344.37	9.05	-24.31
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012011632	0	42	0.0	-32.48	336.83	6.72	-25.76
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011633	0	45	0.0	-31.22	370.92	8.96	-22.26
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011634	0	46	0.0	-29.14	362.38	8.30	-20.84
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012011635	0	38	0.0	-29.21	348.81	9.91	-19.30
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012011636	0	38	0.0	-36.93	331.94	6.84	-30.09
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012011637	0	45	0.0	-26.98	363.75	9.84	-17.14
CN1C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=NC2=C1CCCC2	REAL300012011638	0	45	0.0	-26.40	353.70	8.48	-17.92
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011639	0	38	0.0	-26.60	332.30	4.95	-21.65
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012011640	0	38	0.0	-27.12	327.27	6.57	-20.55
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012011641	0	38	0.0	-29.59	329.57	8.73	-20.86
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012011642	0	43	0.0	-28.06	337.70	7.81	-20.25
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011643	0	42	0.0	-26.79	357.71	8.60	-18.19
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012011645	0	42	0.0	-29.21	351.38	7.65	-21.56
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012011646	1	42	0.0	-30.34	335.26	8.63	-21.71
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012011647	0	37	0.0	-38.74	324.26	8.57	-30.17
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012011648	0	48	0.0	-30.73	373.47	8.78	-21.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012011649	0	42	0.0	-28.43	364.85	9.28	-19.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012011650	0	35	0.0	-29.52	321.56	8.50	-21.02
CN(CCO)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012011651	0	46	0.0	-32.69	369.22	5.40	-27.29
COC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012011652	0	51	0.0	-24.41	382.21	9.45	-14.96
CN1C=C(Br)N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011653	0	35	0.0	-38.14	312.40	6.72	-31.42
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012011654	0	41	0.0	-29.43	331.14	5.04	-24.39
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1O	REAL300012011655	0	43	0.0	-31.12	343.88	5.47	-25.65
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012011656	0	41	0.0	-42.47	347.74	6.92	-35.55
CN1C(=O)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012011657	0	44	0.0	-40.73	357.47	8.58	-32.15
COC1=NC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1C	REAL300012011658	0	41	0.0	-28.84	338.34	5.25	-23.59
CC1=CC(C)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1Br	REAL300012011659	0	44	0.0	-29.18	355.23	9.85	-19.33
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012011660	0	42	0.0	-34.92	348.09	7.75	-27.17
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012011661	0	48	0.0	-30.73	382.10	11.38	-19.35
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011662	0	45	0.0	-33.97	385.90	8.59	-25.38
CCC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=NN1CC	REAL300012011663	0	44	0.0	-28.81	345.44	7.45	-21.36
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012011664	0	35	0.0	-30.46	317.76	8.42	-22.04
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011665	0	52	0.0	-35.24	412.78	8.12	-27.12
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012011666	0	39	0.0	-31.65	332.05	7.26	-24.39
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012011667	0	38	0.0	-26.65	328.05	7.58	-19.07
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011668	0	41	0.0	-33.22	342.85	9.35	-23.87
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012011669	0	41	0.0	-35.05	352.57	8.61	-26.44
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012011670	0	42	0.0	-29.70	351.12	5.50	-24.20
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Cl	REAL300012011671	0	44	0.0	-29.91	371.17	8.09	-21.82
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012011672	0	41	0.0	-34.04	357.65	7.13	-26.91
COC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011673	0	39	0.0	-28.98	343.70	7.81	-21.17
N#CC1=CC(F)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Br)=C1	REAL300012011674	0	36	0.0	-28.53	333.60	8.67	-19.86
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012011675	0	35	0.0	-32.89	308.19	7.99	-24.90
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012011676	0	42	0.0	-32.34	356.60	10.29	-22.05
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011677	0	44	0.0	-30.36	352.95	6.63	-23.73
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012011678	0	41	0.0	-31.12	343.32	10.34	-20.78
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012011679	0	35	0.0	-29.11	331.01	8.97	-20.14
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012011680	0	52	0.0	-24.03	398.31	10.55	-13.48
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012011681	0	46	0.0	-32.45	395.07	11.19	-21.26
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012011682	0	55	0.0	-26.68	419.39	11.27	-15.41
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012011683	0	49	0.0	-26.75	417.16	11.65	-15.10
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)=C1	REAL300012011684	0	50	0.0	-36.51	407.85	9.98	-26.53
CCN1CCCC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC=C21	REAL300012011685	0	50	0.0	-28.72	380.20	8.95	-19.77
COCC1=CN=C(OC)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011686	0	45	0.0	-30.92	370.87	4.35	-26.57
CN1N=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Br	REAL300012011687	0	35	0.0	-26.31	311.59	5.94	-20.37
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011688	0	50	0.0	-34.94	410.33	10.64	-24.30
COC1=C(Br)C=CC(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011689	0	39	0.0	-29.18	346.07	7.94	-21.24
COCC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011690	0	42	0.0	-27.52	337.42	7.64	-19.88
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012011691	0	48	0.0	-28.16	397.95	12.43	-15.73
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012011692	0	39	0.0	-33.67	347.36	9.33	-24.34
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300012011693	0	49	0.0	-29.37	417.66	11.56	-17.81
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012011694	0	48	0.0	-34.28	384.16	8.54	-25.74
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012011695	0	43	0.0	-31.53	343.35	7.92	-23.61
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012011696	0	41	0.0	-30.41	349.51	9.82	-20.59
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012011697	0	41	0.0	-34.80	345.60	5.97	-28.83
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1OC	REAL300012011698	0	43	0.0	-29.79	355.00	7.15	-22.64
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=N1	REAL300012011699	0	42	0.0	-28.98	343.42	5.46	-23.52
CC1=CC=C(F)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Br	REAL300012011700	0	38	0.0	-27.01	332.58	8.89	-18.12
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012011701	0	58	0.0	-25.35	443.16	12.10	-13.25
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012011702	0	49	0.0	-27.62	389.25	10.11	-17.51
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011703	0	41	0.0	-32.34	331.48	9.33	-23.01
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCCO	REAL300012011704	0	47	0.0	-38.29	382.94	4.91	-33.38
CCN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012011705	0	45	0.0	-30.95	367.41	8.72	-22.23
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCCO	REAL300012011706	0	47	0.0	-36.81	381.68	4.86	-31.95
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012011707	0	45	0.0	-28.98	376.25	6.74	-22.24
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011708	0	43	0.0	-36.57	337.35	7.58	-28.99
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012011709	0	40	0.0	-34.81	331.96	8.34	-26.47
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012011710	0	54	0.0	-36.11	428.64	8.51	-27.60
CC1=CC2=CC=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=C2O1	REAL300012011711	0	41	0.0	-26.84	340.21	8.95	-17.89
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012011712	0	38	0.0	-35.50	322.62	8.82	-26.68
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012011713	0	42	0.0	-30.67	363.73	8.49	-22.18
COC1=CSC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1OC	REAL300012011714	0	40	0.0	-26.56	341.59	5.76	-20.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012011715	0	41	0.0	-28.72	333.53	7.81	-20.91
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012011716	0	44	0.0	-35.79	388.36	9.60	-26.19
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012011717	0	38	0.0	-25.69	330.62	6.83	-18.86
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])SC=C1	REAL300012011718	0	38	0.0	-32.71	329.66	4.88	-27.83
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011719	0	38	0.0	-39.73	333.48	3.35	-36.38
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012011720	0	38	0.0	-27.56	335.28	8.83	-18.73
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1F	REAL300012011721	0	45	0.0	-37.12	366.48	8.80	-28.32
CCN1C=C(Cl)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=N1	REAL300012011722	0	38	0.0	-29.67	331.95	6.87	-22.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012011723	0	35	0.0	-29.79	317.63	8.46	-21.33
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012011724	0	38	0.0	-36.09	325.13	8.80	-27.29
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012011725	0	41	0.0	-26.73	341.50	10.05	-16.68
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011726	0	38	0.0	-35.04	341.06	4.33	-30.71
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012011727	0	45	0.0	-31.76	359.92	8.22	-23.54
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012011728	0	42	0.0	-33.80	366.60	9.60	-24.20
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011729	0	48	0.0	-31.06	377.80	8.90	-22.16
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012011730	0	38	0.0	-30.48	319.51	6.52	-23.96
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012011731	0	43	0.0	-24.63	369.23	9.38	-15.25
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011732	0	45	0.0	-30.59	367.64	8.37	-22.22
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012011733	0	38	0.0	-34.63	330.32	9.17	-25.46
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012011734	0	35	0.0	-29.17	329.71	8.87	-20.30
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012011735	0	34	0.0	-30.27	305.48	6.47	-23.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012011736	0	42	0.0	-34.41	356.27	9.14	-25.27
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011737	0	42	0.0	-27.67	343.52	5.91	-21.76
COC1=NC(C)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1Cl	REAL300012011738	0	44	0.0	-30.67	360.30	5.94	-24.73
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011739	0	44	0.0	-27.78	364.58	8.09	-19.69
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012011740	0	42	0.0	-28.77	337.94	7.51	-21.26
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012011741	0	38	0.0	-36.10	325.91	6.66	-29.44
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012011742	0	39	0.0	-32.26	336.95	7.30	-24.96
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011743	0	51	0.0	-28.44	395.30	9.43	-19.01
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012011744	0	46	0.0	-32.14	366.41	6.45	-25.69
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011745	0	49	0.0	-29.80	386.00	7.02	-22.78
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012011746	0	40	0.0	-26.89	352.02	8.94	-17.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012011747	0	45	0.0	-28.35	355.49	8.18	-20.17
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011748	0	37	0.0	-35.44	336.79	1.81	-33.63
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012011749	0	34	0.0	-26.99	313.84	6.84	-20.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012011750	0	50	0.0	-41.95	397.17	7.37	-34.58
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011751	0	48	0.0	-27.73	374.17	8.76	-18.97
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012011752	0	38	0.0	-30.35	314.05	8.76	-21.59
CC1=CC(Br)=C(F)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011753	0	38	0.0	-32.82	337.51	9.13	-23.69
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012011754	0	35	0.0	-29.08	331.17	8.98	-20.10
COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Br	REAL300012011755	0	39	0.0	-25.62	335.87	7.69	-17.93
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012011756	0	35	0.0	-29.15	316.74	8.43	-20.72
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=C2)C=N1	REAL300012011757	0	45	0.0	-36.33	369.77	9.12	-27.21
COC1=CC(F)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Br	REAL300012011758	0	39	0.0	-27.23	344.30	7.71	-19.52
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012011759	0	45	0.0	-41.50	377.53	10.28	-31.22
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011760	0	38	0.0	-29.01	327.11	9.04	-19.97
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011761	0	40	0.0	-30.48	340.75	7.61	-22.87
COC1=NC2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2S1	REAL300012011762	0	41	0.0	-32.27	353.24	5.55	-26.72
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012011763	0	34	0.0	-33.26	307.31	6.60	-26.66
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012011764	0	35	0.0	-29.09	323.19	8.79	-20.30
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011765	0	37	0.0	-29.68	317.79	7.03	-22.65
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011766	0	51	0.0	-32.89	402.76	10.21	-22.68
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012011767	0	35	0.0	-31.24	332.97	8.97	-22.27
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011768	0	39	0.0	-32.12	337.27	7.67	-24.45
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012011769	0	38	0.0	-28.10	342.56	9.15	-18.95
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(F)=C1F	REAL300012011770	0	39	0.0	-37.59	331.66	7.26	-30.33
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011771	0	41	0.0	-27.59	334.91	5.96	-21.63
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011772	0	42	0.0	-38.13	351.34	5.49	-32.64
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012011773	0	41	0.0	-30.83	340.24	8.21	-22.62
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1C	REAL300012011774	0	45	0.0	-32.28	374.66	7.48	-24.80
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])O1	REAL300012011775	0	42	0.0	-29.98	346.94	8.09	-21.89
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011776	0	41	0.0	-28.36	340.18	9.38	-18.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012011777	0	36	0.0	-27.91	324.42	5.61	-22.30
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012011778	0	38	0.0	-26.44	328.07	6.76	-19.68
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012011779	0	51	0.0	-30.51	392.89	11.67	-18.84
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011780	0	43	0.0	-36.41	349.06	8.48	-27.93
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])SC(Br)=C1	REAL300012011781	0	35	0.0	-28.91	321.41	8.21	-20.70
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011782	0	45	0.0	-28.90	358.80	8.16	-20.74
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012011783	0	41	0.0	-35.55	345.53	7.21	-28.34
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012011784	0	43	0.0	-35.02	358.83	8.17	-26.85
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011785	0	44	0.0	-29.72	373.37	8.07	-21.65
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011786	0	47	0.0	-27.86	388.93	9.95	-17.91
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011787	0	42	0.0	-36.59	354.34	7.11	-29.48
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012011788	0	48	0.0	-32.61	393.83	12.32	-20.29
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011789	0	51	0.0	-39.22	409.37	9.07	-30.15
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=N1	REAL300012011790	0	41	0.0	-28.56	330.93	5.02	-23.54
CCN(C)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1	REAL300012011791	0	49	0.0	-27.33	379.07	9.77	-17.56
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012011792	0	34	0.0	-28.91	315.41	6.94	-21.97
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012011793	0	32	0.0	-25.99	312.44	7.83	-18.16
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011794	0	56	0.0	-24.77	415.20	9.68	-15.09
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011795	0	46	0.0	-29.89	368.68	7.25	-22.64
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012011796	0	39	0.0	-34.13	351.67	8.17	-25.96
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012011797	0	45	0.0	-32.05	379.56	10.63	-21.42
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012011798	0	38	0.0	-32.64	327.89	9.24	-23.40
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012011799	0	44	0.0	-34.49	359.12	9.49	-25.00
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011800	0	57	0.0	-32.86	448.53	12.74	-20.12
CC(C)(C)C1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=NO1	REAL300012011801	0	43	0.0	-27.78	330.86	7.72	-20.06
CC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1C(F)(F)F	REAL300012011802	0	41	0.0	-33.16	335.86	9.42	-23.74
CCC(C)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012011803	0	47	0.0	-30.60	369.70	10.46	-20.14
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012011804	0	37	0.0	-35.09	334.95	7.18	-27.91
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012011805	0	40	0.0	-27.25	354.58	8.07	-19.18
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012011806	0	42	0.0	-33.01	350.90	6.44	-26.57
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012011807	0	38	0.0	-29.98	348.37	9.97	-20.01
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011808	0	48	0.0	-34.08	389.13	10.29	-23.79
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=N1	REAL300012011809	0	40	0.0	-33.20	338.76	7.71	-25.49
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012011810	0	35	0.0	-31.20	320.92	8.45	-22.75
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012011811	0	35	0.0	-26.22	330.52	8.82	-17.40
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012011812	0	45	0.0	-28.56	345.02	10.19	-18.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012011813	0	37	0.0	-37.80	339.15	9.12	-28.68
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011814	0	42	0.0	-34.43	350.83	9.76	-24.67
COC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=CC(Br)=C1F	REAL300012011815	0	39	0.0	-27.78	347.30	7.86	-19.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012011816	0	38	0.0	-27.27	332.32	8.74	-18.53
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012011817	0	41	0.0	-42.59	343.40	7.78	-34.81
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012011818	0	44	0.0	-27.62	345.80	10.47	-17.15
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011819	0	53	0.0	-27.80	416.18	9.45	-18.35
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012011820	0	41	0.0	-31.67	354.21	10.54	-21.13
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011821	0	43	0.0	-32.53	351.92	7.29	-25.24
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012011822	0	48	0.0	-31.10	378.58	4.81	-26.29
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011823	0	47	0.0	-30.51	377.83	6.46	-24.05
CCCN1N=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1C	REAL300012011824	0	44	0.0	-31.82	355.66	7.66	-24.16
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012011825	0	52	0.0	-27.34	394.59	9.45	-17.89
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012011826	0	49	0.0	-26.29	402.40	11.24	-15.05
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012011827	0	43	0.0	-30.59	345.41	8.84	-21.75
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012011828	0	44	0.0	-34.25	362.55	9.14	-25.11
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012011829	0	42	0.0	-31.93	352.90	7.93	-24.00
COC1=CC=C(Br)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1O	REAL300012011830	0	40	0.0	-31.00	343.47	5.40	-25.60
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012011831	0	44	0.0	-27.76	352.13	7.68	-20.08
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012011832	0	45	0.0	-29.13	362.18	8.23	-20.90
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])O1	REAL300012011833	1	43	0.0	-31.10	348.86	5.25	-25.85
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=C1	REAL300012011834	0	41	0.0	-31.84	326.98	7.54	-24.30
CC1=CC=C(C)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012011835	0	41	0.0	-32.46	328.97	7.73	-24.73
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012011836	0	40	0.0	-39.49	333.88	6.68	-32.81
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012011837	0	47	0.0	-32.86	368.96	8.64	-24.22
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012011838	0	42	0.0	-38.53	349.10	6.39	-32.14
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Br)O1	REAL300012011839	0	32	0.0	-37.58	296.52	5.22	-32.36
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012011840	0	45	0.0	-37.03	373.31	8.09	-28.94
N#CCCN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012011841	0	49	0.0	-35.45	401.45	8.35	-27.10
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1OC(F)F	REAL300012011842	0	43	0.0	-38.84	360.42	5.76	-33.08
CCOC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1OC	REAL300012011843	0	46	0.0	-37.58	374.68	6.47	-31.11
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012011844	0	49	0.0	-35.97	403.92	9.71	-26.26
CCCCCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012011845	0	51	0.0	-35.67	409.93	8.95	-26.72
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012011846	1	44	0.0	-47.01	382.52	8.91	-38.10
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012011847	1	44	0.0	-43.33	382.51	8.91	-34.42
CC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1C	REAL300012011848	0	41	0.0	-31.47	323.04	7.56	-23.91
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1C	REAL300012011849	0	41	0.0	-33.66	332.49	7.56	-26.10
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1Br	REAL300012011850	0	39	0.0	-34.06	341.84	6.24	-27.82
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012011851	0	45	0.0	-33.18	360.63	7.24	-25.94
CCCCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC	REAL300012011852	0	52	0.0	-37.33	417.67	8.06	-29.27
CCCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC	REAL300012011853	0	49	0.0	-37.28	396.17	7.27	-30.01
C=CCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC	REAL300012011854	0	47	0.0	-36.57	385.42	6.98	-29.59
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012011855	1	42	0.0	-38.21	371.05	8.76	-29.45
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012011856	0	42	0.0	-38.87	369.84	8.76	-30.11
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012011857	0	42	0.0	-35.80	376.49	9.58	-26.22
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012011858	0	45	0.0	-34.92	376.16	7.95	-26.97
CCC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012011859	0	44	0.0	-32.17	361.46	8.19	-23.98
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012011860	0	44	0.0	-46.53	377.09	9.49	-37.04
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012011861	0	41	0.0	-38.55	365.33	7.21	-31.34
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012011862	0	39	0.0	-37.02	338.66	6.22	-30.80
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012011863	0	39	0.0	-34.99	350.47	7.82	-27.17
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012011864	0	42	0.0	-31.65	350.91	4.22	-27.43
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(Cl)=C1	REAL300012011865	0	39	0.0	-29.90	336.26	6.09	-23.81
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012011866	0	39	0.0	-34.81	338.75	6.11	-28.70
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012011867	0	42	0.0	-35.44	342.60	5.75	-29.69
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012011868	0	45	0.0	-35.37	357.61	6.36	-29.01
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012011869	0	39	0.0	-36.28	328.05	5.15	-31.13
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012011870	0	46	0.0	-37.56	366.84	5.07	-32.49
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012011871	0	38	0.0	-33.97	330.97	7.73	-26.24
CCOC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012011872	0	54	0.0	-30.90	430.50	6.85	-24.05
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012011873	0	41	0.0	-35.02	338.80	6.81	-28.21
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])O2)C=C1	REAL300012011874	1	45	0.0	-37.90	375.72	8.92	-28.98
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])O1	REAL300012011875	0	42	0.0	-38.25	354.59	5.19	-33.06
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012011876	0	41	0.0	-39.97	341.32	4.21	-35.76
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012011877	0	48	0.0	-39.42	381.98	4.96	-34.46
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012011878	0	50	0.0	-37.19	402.40	6.97	-30.22
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Cl)S1	REAL300012011879	0	32	0.0	-32.48	301.35	6.08	-26.40
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012011880	0	42	0.0	-37.41	368.32	9.20	-28.21
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012011881	0	40	0.0	-30.55	332.55	6.84	-23.71
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012011882	0	48	0.0	-31.10	393.62	7.83	-23.27
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012011883	0	44	0.0	-39.23	364.97	5.35	-33.88
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012011884	0	42	0.0	-41.80	352.43	7.56	-34.24
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012011885	0	41	0.0	-44.06	347.37	8.88	-35.18
CC(C)N1N=CC2=CC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=C(Cl)N=C21	REAL300012011886	0	46	0.0	-39.69	388.45	7.32	-32.37
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012011887	0	42	0.0	-32.59	377.53	9.62	-22.97
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012011888	0	42	0.0	-33.95	371.29	9.31	-24.64
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012011889	0	35	0.0	-31.03	303.89	6.37	-24.66
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012011890	0	38	0.0	-32.04	340.29	7.69	-24.35
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012011891	0	35	0.0	-29.35	311.86	6.82	-22.53
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012011892	0	35	0.0	-35.95	316.67	6.92	-29.03
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012011893	0	38	0.0	-37.14	338.40	7.41	-29.73
CCOC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012011894	0	42	0.0	-32.49	344.11	6.54	-25.95
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1F	REAL300012011895	0	38	0.0	-37.65	320.80	7.07	-30.58
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012011896	0	35	0.0	-30.13	323.51	7.31	-22.82
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012011897	0	38	0.0	-37.35	329.06	7.49	-29.86
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012011898	0	35	0.0	-40.12	313.08	6.54	-33.58
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012011899	0	38	0.0	-37.50	339.21	7.42	-30.08
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012011900	0	38	0.0	-34.57	335.17	7.32	-27.25
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(Cl)=C1OC	REAL300012011901	0	43	0.0	-31.52	368.67	6.13	-25.39
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012011902	0	38	0.0	-32.58	331.47	7.89	-24.69
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012011903	0	35	0.0	-35.93	316.67	6.93	-29.00
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012011904	0	39	0.0	-35.25	348.70	6.50	-28.75
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012011905	0	42	0.0	-38.09	378.66	9.65	-28.44
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012011906	0	45	0.0	-40.09	375.77	4.84	-35.25
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CN=C1Cl	REAL300012011907	0	34	0.0	-29.92	299.71	4.93	-24.99
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012011908	0	48	0.0	-39.60	400.23	7.88	-31.72
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012011909	0	44	0.0	-34.65	359.29	5.99	-28.66
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012011910	0	44	0.0	-31.04	374.18	6.30	-24.74
COCCOC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012011911	0	46	0.0	-34.79	379.06	5.85	-28.94
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1Cl	REAL300012011912	0	39	0.0	-35.26	339.61	6.21	-29.05
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012011913	0	40	0.0	-43.54	354.34	5.28	-38.26
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012011914	0	47	0.0	-40.07	375.46	7.93	-32.14
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=N1	REAL300012011915	0	51	0.0	-44.43	410.87	6.24	-38.19
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012011916	0	42	0.0	-35.26	365.01	7.05	-28.21
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012011917	0	41	0.0	-32.91	337.00	5.56	-27.35
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012011918	0	44	0.0	-32.09	347.73	6.00	-26.09
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012011919	0	47	0.0	-29.17	378.53	8.39	-20.78
CCCOC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012011920	0	45	0.0	-32.87	366.93	7.38	-25.49
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012011921	0	42	0.0	-35.50	360.12	8.94	-26.56
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012011922	0	49	0.0	-31.76	386.65	8.50	-23.26
CC(C)OC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012011923	0	45	0.0	-31.99	361.21	7.13	-24.86
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012011924	0	48	0.0	-36.27	392.33	7.70	-28.57
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012011927	0	49	0.0	-34.28	406.91	9.73	-24.55
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012011928	0	45	0.0	-39.33	389.19	6.62	-32.71
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012011930	0	38	0.0	-37.73	349.96	6.08	-31.65
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012011931	0	42	0.0	-39.01	368.34	9.20	-29.81
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012011932	0	49	0.0	-45.56	399.60	7.24	-38.32
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012011933	0	49	0.0	-29.77	384.46	8.36	-21.41
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])S2)C=C1	REAL300012011934	0	45	0.0	-35.30	381.17	9.74	-25.56
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012011935	0	41	0.0	-40.67	358.02	6.58	-34.09
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012011936	0	39	0.0	-33.50	356.35	6.81	-26.69
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012011937	0	35	0.0	-30.16	328.07	7.41	-22.75
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012011938	0	35	0.0	-29.51	325.66	7.35	-22.16
CCOC1=C(OC)C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC	REAL300012011939	0	50	0.0	-39.03	406.52	6.37	-32.66
COCCCOC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012011940	0	49	0.0	-34.63	400.61	6.45	-28.18
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CN=C1Cl	REAL300012011941	0	37	0.0	-36.61	324.58	5.58	-31.03
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012011942	0	43	0.0	-35.73	361.44	5.27	-30.46
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012011943	0	39	0.0	-29.96	344.72	6.36	-23.60
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012011944	0	48	0.0	-37.44	395.08	7.98	-29.46
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])S2)C=C1	REAL300012011945	0	44	0.0	-34.93	378.35	7.98	-26.95
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012011946	0	40	0.0	-32.26	350.55	7.39	-24.87
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012011947	0	40	0.0	-31.17	337.40	6.84	-24.33
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012011948	0	40	0.0	-32.88	340.25	6.95	-25.93
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012011949	0	40	0.0	-31.75	348.41	7.30	-24.45
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012011950	0	42	0.0	-39.96	368.81	8.41	-31.55
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])O1	REAL300012011951	1	45	0.0	-37.44	379.87	8.95	-28.49
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])O2)C=C1	REAL300012011952	1	48	0.0	-32.53	397.21	9.68	-22.85
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(OC(F)F)=C1	REAL300012011953	0	43	0.0	-35.29	360.12	5.24	-30.05
COC1=CC=C2OC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CC2=C1	REAL300012011954	0	42	0.0	-34.87	351.43	6.16	-28.71
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012011955	0	39	0.0	-36.75	341.84	8.17	-28.58
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012011956	0	41	0.0	-32.44	339.96	7.42	-25.02
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012011957	0	38	0.0	-36.48	320.67	6.68	-29.80
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1Br	REAL300012011959	0	38	0.0	-36.52	333.57	7.54	-28.98
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012011960	0	39	0.0	-40.62	335.72	7.72	-32.90
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1Br	REAL300012011961	0	38	0.0	-35.27	333.58	7.54	-27.73
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012011962	0	42	0.0	-39.12	351.65	7.44	-31.68
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Cl)SC=C1	REAL300012011963	0	32	0.0	-32.74	296.98	5.85	-26.89
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012011964	0	40	0.0	-31.98	346.56	6.70	-25.28
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012011965	0	39	0.0	-38.58	330.31	6.30	-32.28
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012011966	0	39	0.0	-37.56	332.37	6.37	-31.19
CCOC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=N1	REAL300012011967	0	41	0.0	-38.08	341.78	3.90	-34.18
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012011968	0	43	0.0	-38.45	353.17	7.47	-30.98
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1Cl	REAL300012011969	0	38	0.0	-35.27	329.54	7.45	-27.82
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012011970	0	37	0.0	-37.19	325.95	5.84	-31.35
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])O2)C=C1	REAL300012011971	1	54	0.0	-37.01	429.12	10.52	-26.49
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012011972	0	55	0.0	-33.97	409.80	9.29	-24.68
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012011973	0	55	0.0	-35.48	426.38	9.04	-26.44
CCCC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012011974	0	44	0.0	-32.26	356.30	8.49	-23.77
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012011975	0	53	0.0	-34.83	427.57	11.08	-23.75
CCN(CC)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1F	REAL300012011976	0	49	0.0	-34.74	394.54	7.53	-27.21
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C(SC)C=C1OC	REAL300012011977	0	47	0.0	-32.25	386.28	6.41	-25.84
COC1=CC=C2N=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])SC2=C1	REAL300012011978	1	41	0.0	-33.74	355.73	5.17	-28.57
CN1C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=NC2=CC=C(Cl)C=C21	REAL300012011979	0	41	0.0	-40.69	358.06	7.22	-33.47
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1C#N	REAL300012011980	0	40	0.0	-38.99	341.63	5.99	-33.00
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012011981	0	39	0.0	-35.48	343.89	7.62	-27.86
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012011982	0	41	0.0	-31.61	340.84	7.81	-23.80
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012011983	0	39	0.0	-37.15	337.40	5.93	-31.22
CCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])N=C1	REAL300012011984	0	41	0.0	-37.60	339.16	4.68	-32.92
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012011985	0	41	0.0	-34.19	342.63	7.80	-26.39
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012011986	0	43	0.0	-36.12	371.46	6.15	-29.97
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OCC(C)C	REAL300012011987	0	52	0.0	-36.12	414.12	7.88	-28.24
CCCOC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1OC	REAL300012011988	0	49	0.0	-37.33	396.18	7.27	-30.06
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Br)S1	REAL300012011989	0	32	0.0	-32.41	305.98	6.18	-26.23
CCOC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012011990	0	46	0.0	-38.86	393.32	7.07	-31.79
C=CCOC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012011991	0	43	0.0	-33.12	358.34	7.17	-25.95
COC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1OC(C)C	REAL300012011992	0	49	0.0	-28.88	386.81	7.01	-21.87
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC	REAL300012011993	0	46	0.0	-36.59	394.64	7.15	-29.44
CCCOC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=CC=C1OCC	REAL300012011994	0	52	0.0	-33.38	403.64	7.79	-25.59
CCCCOC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1OC	REAL300012011995	0	52	0.0	-38.11	417.68	8.06	-30.05
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC(F)F	REAL300012011996	0	43	0.0	-41.05	362.58	5.84	-35.21
CCOC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1OC(F)F	REAL300012011997	0	46	0.0	-38.65	382.28	6.68	-31.97
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012011998	0	45	0.0	-37.02	372.61	7.41	-29.61
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-])OC(C)C2	REAL300012011999	0	50	0.0	-33.28	399.76	7.21	-26.07
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC2=C1OCCO2	REAL300012012000	0	45	0.0	-39.81	366.45	5.34	-34.47
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012012001	1	44	0.0	-35.28	387.24	7.74	-27.54
CCCCN1N=C(C)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1Cl	REAL300012012002	0	47	0.0	-33.66	395.71	7.36	-26.30
CCOC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1OC(F)F	REAL300012012003	0	46	0.0	-32.56	379.80	7.03	-25.53
CC1=CC(C)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1C	REAL300012012004	0	44	0.0	-31.43	343.81	8.19	-23.24
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012012005	0	42	0.0	-35.31	359.77	9.06	-26.25
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC	REAL300012012006	0	49	0.0	-36.44	416.14	7.95	-28.49
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012012007	0	42	0.0	-43.72	367.71	8.38	-35.34
CC(C)(C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-])C1=CC=CC=C1	REAL300012012008	0	44	0.0	-33.62	340.82	8.01	-25.61
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012012009	0	51	0.0	-34.40	397.57	7.59	-26.81
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012010	0	47	0.0	-36.80	373.10	9.24	-27.56
CCC1CCCC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C1	REAL300012012011	0	47	0.0	-33.71	342.84	7.54	-26.17
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012013	0	41	0.0	-31.60	332.68	7.89	-23.71
CC1=C(C)C=C2OC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CC2=C1	REAL300012012014	1	44	0.0	-32.43	358.94	8.04	-24.39
CCCC1CCC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])CC1	REAL300012012015	0	50	0.0	-32.87	374.31	8.66	-24.21
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012012016	0	42	0.0	-35.90	354.13	6.29	-29.61
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012012017	0	42	0.0	-40.84	350.03	8.74	-32.10
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012012018	0	42	0.0	-41.02	362.72	8.36	-32.66
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012012019	0	41	0.0	-36.76	353.22	6.00	-30.76
CCCCC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012012020	0	50	0.0	-41.68	390.46	9.15	-32.53
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012012021	0	48	0.0	-42.68	400.98	11.03	-31.65
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012022	0	48	0.0	-34.51	395.46	8.46	-26.05
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012012023	0	44	0.0	-37.65	372.97	6.84	-30.81
COC1=CC=C(C)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012024	0	42	0.0	-30.03	341.47	6.30	-23.73
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1F	REAL300012012025	0	39	0.0	-35.44	327.65	5.65	-29.79
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012012026	0	44	0.0	-35.53	344.10	7.32	-28.21
CC(C)C1CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])CCO1	REAL300012012027	0	48	0.0	-34.17	363.88	6.37	-27.80
CC1(C)CCC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])CC1	REAL300012012028	0	47	0.0	-34.39	349.06	7.58	-26.81
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012012029	0	42	0.0	-38.08	369.07	7.05	-31.03
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012012030	0	41	0.0	-34.80	369.21	6.90	-27.90
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012012031	0	41	0.0	-33.60	368.25	6.71	-26.89
CCSC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012032	0	42	0.0	-32.68	355.76	8.21	-24.47
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012012033	1	36	0.0	-36.67	323.92	4.04	-32.63
COC1(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])CCCCC1	REAL300012012034	0	45	0.0	-29.76	334.94	5.62	-24.14
CCN1N=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C2=CC=CC=C21	REAL300012012035	0	44	0.0	-36.92	364.51	7.10	-29.82
COCCC1(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])CCCCC1	REAL300012012036	0	51	0.0	-32.35	369.90	6.50	-25.85
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012012037	0	32	0.0	-34.09	319.65	6.58	-27.51
CCCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012038	0	45	0.0	-35.62	366.93	7.38	-28.24
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012012039	1	38	0.0	-37.81	320.64	6.84	-30.97
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012012040	1	42	0.0	-37.98	354.33	8.25	-29.73
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1OC(C)C	REAL300012012041	0	49	0.0	-36.32	390.46	7.02	-29.30
CCCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OCC	REAL300012012042	0	52	0.0	-36.16	415.87	8.12	-28.04
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012012043	0	40	0.0	-36.23	336.13	7.47	-28.76
CC(C)OC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012044	0	45	0.0	-34.89	363.36	7.21	-27.68
CCCCCCCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012045	0	57	0.0	-34.91	451.60	10.46	-24.45
CC(C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012012046	0	56	0.0	-35.10	427.05	10.73	-24.37
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1F	REAL300012012047	0	38	0.0	-36.12	320.80	7.06	-29.06
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012012048	0	39	0.0	-33.19	325.44	6.36	-26.83
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Br)C=CS1	REAL300012012049	0	32	0.0	-32.19	303.76	6.00	-26.19
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012012050	0	48	0.0	-34.27	366.76	5.27	-29.00
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012012051	0	35	0.0	-29.11	313.15	6.82	-22.29
CC(C)CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012052	0	47	0.0	-32.93	373.95	9.00	-23.93
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=C2)C=C1	REAL300012012053	0	48	0.0	-35.00	387.54	10.36	-24.64
COC1=CC=C(Br)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012054	0	39	0.0	-31.85	336.02	6.18	-25.67
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012012055	0	41	0.0	-48.47	347.45	7.02	-41.45
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012012056	0	35	0.0	-34.52	326.22	7.32	-27.20
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012012057	0	35	0.0	-35.65	317.22	6.94	-28.71
CC1=CC=CC(C)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012058	0	41	0.0	-31.68	323.91	7.34	-24.34
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Br)=CO1	REAL300012012059	0	32	0.0	-35.10	295.22	5.08	-30.02
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012060	0	48	0.0	-34.27	390.14	10.44	-23.83
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012012061	0	39	0.0	-35.21	331.18	5.86	-29.35
CCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OCC	REAL300012012062	0	49	0.0	-37.43	396.53	7.39	-30.04
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012012063	0	35	0.0	-30.06	315.05	6.86	-23.20
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012012064	0	38	0.0	-36.35	345.97	7.77	-28.58
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012012065	0	35	0.0	-28.85	314.03	6.87	-21.98
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012012066	0	39	0.0	-34.37	340.08	6.15	-28.22
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012012067	0	35	0.0	-31.42	316.37	6.89	-24.53
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012068	0	49	0.0	-36.45	402.29	9.42	-27.03
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012012069	0	35	0.0	-36.38	306.90	6.49	-29.89
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012012070	0	35	0.0	-39.30	314.50	6.85	-32.45
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C2=CC=CC=C12	REAL300012012071	0	45	0.0	-34.41	358.00	7.69	-26.72
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012012072	0	42	0.0	-35.66	352.65	6.61	-29.05
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012012072	1	42	0.0	-33.59	351.46	6.28	-27.31
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012012073	0	35	0.0	-40.89	304.62	6.40	-34.49
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012074	0	41	0.0	-31.10	339.17	6.66	-24.44
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=N1	REAL300012012075	0	38	0.0	-37.56	319.80	3.01	-34.55
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(Br)=C1O	REAL300012012076	0	40	0.0	-31.47	348.05	4.00	-27.47
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012012077	0	40	0.0	-35.66	328.64	6.16	-29.50
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC(Br)=C1	REAL300012012078	0	32	0.0	-35.56	304.41	5.99	-29.57
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012012079	0	45	0.0	-34.00	366.14	9.68	-24.32
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012012080	0	48	0.0	-38.14	397.44	7.88	-30.26
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012012081	0	46	0.0	-37.48	368.00	6.27	-31.21
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012012082	0	39	0.0	-34.33	325.12	6.37	-27.96
CC1=CC(F)=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012083	0	38	0.0	-33.47	310.29	6.88	-26.59
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012012084	0	35	0.0	-34.92	318.93	6.95	-27.97
CC1=NC(C)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012085	0	37	0.0	-34.38	319.93	4.83	-29.55
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012012086	0	44	0.0	-38.67	363.65	8.16	-30.51
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012012087	0	44	0.0	-35.20	361.15	7.92	-27.28
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012012088	0	44	0.0	-38.47	363.49	8.01	-30.46
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012089	0	50	0.0	-32.78	386.13	6.84	-25.94
CN1CCN(C2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=C2)CC1	REAL300012012090	1	52	0.0	-34.83	403.27	5.06	-29.77
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012012091	0	44	0.0	-37.66	373.25	4.77	-32.89
CNC(=O)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012092	0	42	0.0	-44.49	350.55	4.64	-39.85
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012012093	0	42	0.0	-36.52	357.17	7.56	-28.96
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012012094	0	42	0.0	-37.15	369.64	8.09	-29.06
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012012095	0	42	0.0	-38.46	363.68	7.00	-31.46
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012012096	0	41	0.0	-35.41	340.19	8.60	-26.81
COC1=C2OC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CC2=CC=C1	REAL300012012097	0	42	0.0	-41.71	351.45	6.17	-35.54
CC(C)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012012098	0	46	0.0	-45.72	379.12	8.86	-36.86
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012012099	0	38	0.0	-37.53	339.28	5.56	-31.97
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012100	0	51	0.0	-34.67	412.89	8.83	-25.84
CCOC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1OCC(C)C	REAL300012012101	0	55	0.0	-35.92	435.98	8.80	-27.12
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012012102	0	35	0.0	-31.40	320.94	6.99	-24.41
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012012103	0	35	0.0	-30.10	319.62	6.97	-23.13
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC(OC)=C1	REAL300012012104	0	43	0.0	-34.95	351.75	4.92	-30.03
COC1=CC2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=C2C=C1	REAL300012012105	0	45	0.0	-37.77	368.21	7.88	-29.89
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Br)=CS1	REAL300012012107	0	32	0.0	-32.57	303.62	6.01	-26.56
CCCCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OCC	REAL300012012108	0	55	0.0	-37.20	439.53	8.98	-28.22
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012109	0	48	0.0	-35.26	388.17	8.38	-26.88
COC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1OC(F)F	REAL300012012110	0	43	0.0	-32.76	358.78	5.84	-26.92
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012012111	1	39	0.0	-38.68	354.61	6.93	-31.75
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012012112	0	41	0.0	-46.49	344.43	5.41	-41.08
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012012114	0	35	0.0	-34.68	318.93	6.94	-27.74
CC1=CC=C(COC2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=C2)C=C1	REAL300012012115	0	52	0.0	-36.61	425.43	10.27	-26.34
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012012116	0	50	0.0	-33.65	385.68	7.60	-26.05
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012117	0	54	0.0	-32.92	431.43	9.73	-23.19
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1SC	REAL300012012118	0	43	0.0	-37.25	362.99	6.70	-30.55
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012119	0	46	0.0	-39.53	385.63	7.82	-31.71
CCCCCOC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1OC	REAL300012012120	0	55	0.0	-37.93	439.17	8.84	-29.09
CCC(C)OC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1OC	REAL300012012121	0	52	0.0	-37.63	413.36	7.89	-29.74
CCCCCCCOC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012122	0	57	0.0	-32.82	452.93	10.51	-22.31
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OCCCC#N	REAL300012012123	0	50	0.0	-42.67	414.88	7.72	-34.95
C=C(C)COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1OC	REAL300012012124	0	50	0.0	-38.23	406.66	7.82	-30.41
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OCCC(C)C	REAL300012012125	0	55	0.0	-37.37	435.24	8.58	-28.79
C=CCC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC(OC)=C1O	REAL300012012126	0	47	0.0	-37.86	388.95	5.51	-32.35
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012012127	0	42	0.0	-37.67	351.32	6.20	-31.47
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012128	0	44	0.0	-38.90	368.49	7.15	-31.75
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012129	0	45	0.0	-37.80	391.48	4.87	-32.93
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012012130	0	41	0.0	-33.96	346.98	6.18	-27.78
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012012132	0	48	0.0	-35.22	385.97	5.41	-29.81
CN1C=NC2=CC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CC=C21	REAL300012012133	0	41	0.0	-36.73	342.46	7.69	-29.04
CCN1N=C(C)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1C	REAL300012012134	0	44	0.0	-33.97	357.78	6.01	-27.96
C=CCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1Cl	REAL300012012135	0	43	0.0	-34.16	372.21	7.64	-26.52
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012012136	0	41	0.0	-34.92	356.95	7.30	-27.62
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012012137	0	47	0.0	-29.94	378.35	6.14	-23.80
CC1(C)CC2=CC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CC=C2O1	REAL300012012138	0	46	0.0	-35.40	370.17	7.55	-27.85
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012012140	0	38	0.0	-38.42	349.23	6.14	-32.28
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012141	0	45	0.0	-36.47	356.20	6.27	-30.20
CC1=CC=C(F)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012142	0	38	0.0	-34.70	317.85	6.99	-27.71
CC1=CC=C(F)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012143	0	38	0.0	-32.03	311.97	6.95	-25.08
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012012144	0	38	0.0	-36.42	348.22	7.81	-28.61
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012012145	0	35	0.0	-28.87	326.76	7.37	-21.50
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(Br)=C1	REAL300012012146	0	38	0.0	-28.24	330.36	7.51	-20.73
CC(C)COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012147	0	48	0.0	-35.44	387.03	8.08	-27.36
COCCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012148	0	46	0.0	-37.66	377.74	5.81	-31.85
CC1(C)CCCC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C1	REAL300012012149	0	47	0.0	-33.81	347.73	7.55	-26.26
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012012150	0	39	0.0	-36.24	347.20	6.40	-29.84
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1Cl	REAL300012012151	0	45	0.0	-30.03	387.56	7.81	-22.22
CC1=CCCC(C)C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012152	0	45	0.0	-30.06	334.41	7.60	-22.46
COC1=CC2=C(C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-])OCO2	REAL300012012153	0	42	0.0	-35.21	348.23	4.37	-30.84
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012012154	0	40	0.0	-33.53	327.48	6.65	-26.88
CC(C)COC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012155	0	48	0.0	-32.80	387.04	8.08	-24.72
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012156	0	38	0.0	-32.73	320.62	7.32	-25.41
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012012157	0	39	0.0	-36.61	329.37	7.64	-28.97
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012012158	0	34	0.0	-39.09	304.47	4.95	-34.14
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012012159	0	34	0.0	-35.82	310.24	5.18	-30.64
CN1N=NC2=CC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CC=C21	REAL300012012160	0	40	0.0	-39.16	338.06	4.80	-34.36
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=C2O1	REAL300012012161	0	46	0.0	-29.10	367.51	7.41	-21.69
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012012162	0	40	0.0	-32.02	351.13	6.81	-25.21
COC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=N1	REAL300012012163	0	38	0.0	-38.24	319.93	2.97	-35.27
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012012164	0	45	0.0	-36.16	359.22	7.21	-28.95
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012012165	0	42	0.0	-34.55	352.43	7.55	-27.00
CC(C)N1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=N1	REAL300012012166	0	41	0.0	-34.91	337.11	5.55	-29.36
CC1=C(Br)SC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012167	0	35	0.0	-31.64	324.25	6.75	-24.89
CC1=NC2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=C2C=C1	REAL300012012168	0	43	0.0	-39.77	355.46	7.29	-32.48
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=C2)C=C1	REAL300012012169	0	50	0.0	-37.53	410.97	8.46	-29.07
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012012170	0	37	0.0	-32.21	311.37	5.42	-26.79
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=C2)=C1	REAL300012012171	0	51	0.0	-35.86	411.10	11.10	-24.76
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012012172	0	44	0.0	-43.23	363.00	9.81	-33.42
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012012173	0	38	0.0	-38.02	327.05	6.91	-31.11
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012012174	0	42	0.0	-40.66	357.12	6.86	-33.80
COCC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012175	0	42	0.0	-34.73	349.14	6.08	-28.65
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012176	0	45	0.0	-36.78	390.03	8.61	-28.17
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012012177	0	49	0.0	-35.34	411.76	9.71	-25.63
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012178	0	48	0.0	-33.43	385.69	8.19	-25.24
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012012179	0	46	0.0	-36.74	394.68	10.46	-26.28
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012012180	0	45	0.0	-33.78	371.06	7.21	-26.57
COC1=CC(C)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC	REAL300012012181	0	46	0.0	-36.90	366.19	6.25	-30.65
CN1C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300012012182	0	41	0.0	-42.87	357.29	7.21	-35.66
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012183	1	41	0.0	-34.12	348.53	4.98	-29.14
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012184	0	44	0.0	-46.62	374.64	5.69	-40.93
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012012185	0	39	0.0	-38.42	339.78	5.39	-33.03
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012186	0	39	0.0	-30.19	351.08	7.89	-22.30
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012012187	0	45	0.0	-36.39	382.58	8.02	-28.37
CC(C)(C)C1CCC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])CC1	REAL300012012189	0	53	0.0	-32.68	372.58	8.30	-24.38
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012190	0	49	0.0	-32.68	396.34	9.14	-23.54
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012191	0	49	0.0	-33.04	396.33	9.12	-23.92
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012192	0	48	0.0	-34.41	389.37	7.29	-27.12
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012012193	0	46	0.0	-34.99	377.11	8.16	-26.83
COC1=CC(Cl)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1Cl	REAL300012012194	0	39	0.0	-30.69	350.12	6.57	-24.12
CC(C)CC1=NC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012195	0	43	0.0	-34.19	360.48	6.31	-27.88
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012012196	0	38	0.0	-35.37	348.82	6.37	-29.00
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012012197	0	38	0.0	-35.67	350.24	6.33	-29.34
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])S2)O1	REAL300012012198	0	41	0.0	-38.12	363.79	6.28	-31.84
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012199	0	38	0.0	-33.35	326.87	7.49	-25.86
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012012200	0	35	0.0	-34.01	328.05	7.35	-26.66
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012012201	0	42	0.0	-42.54	350.03	6.34	-36.20
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012012202	0	44	0.0	-33.24	367.71	7.99	-25.25
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012012203	0	38	0.0	-34.70	338.20	7.31	-27.39
COCCOC1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012204	0	46	0.0	-35.70	376.32	5.88	-29.82
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012012205	0	35	0.0	-28.35	324.36	7.31	-21.04
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012206	0	39	0.0	-30.41	335.18	6.33	-24.08
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012012208	0	42	0.0	-33.69	351.62	6.41	-27.28
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012012209	0	49	0.0	-31.27	399.98	8.83	-22.44
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012012210	0	46	0.0	-29.31	394.12	9.61	-19.70
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012211	0	54	0.0	-37.23	421.80	9.66	-27.57
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012212	0	39	0.0	-35.39	322.25	5.61	-29.78
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012012213	1	42	0.0	-38.63	360.73	8.31	-30.32
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012214	0	43	0.0	-34.20	360.92	6.14	-28.06
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012012215	0	41	0.0	-37.42	336.43	5.44	-31.98
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012012216	0	35	0.0	-32.64	314.05	6.93	-25.71
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012012217	0	35	0.0	-32.70	309.48	6.82	-25.88
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012012218	0	42	0.0	-40.04	352.91	7.57	-32.47
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012012219	0	45	0.0	-41.53	389.61	8.46	-33.07
CC(C)(C)N1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=N1	REAL300012012220	0	44	0.0	-37.49	355.52	6.13	-31.36
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC(C)=C1	REAL300012012221	0	41	0.0	-32.85	335.57	7.64	-25.21
CC(=O)NC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012222	0	42	0.0	-42.95	350.16	5.25	-37.70
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1Cl	REAL300012012223	0	35	0.0	-28.18	304.55	6.78	-21.40
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012012224	0	37	0.0	-38.08	322.29	7.03	-31.05
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012012225	0	37	0.0	-42.40	322.29	7.03	-35.37
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012012226	0	41	0.0	-31.66	332.90	8.42	-23.24
CN(C)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012227	0	43	0.0	-34.12	345.18	6.75	-27.37
CCN(CC)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012228	0	49	0.0	-32.98	387.88	8.62	-24.36
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012012229	0	35	0.0	-34.84	314.05	6.94	-27.90
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012012230	0	35	0.0	-34.81	309.48	6.83	-27.98
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC(OC)=C1OC	REAL300012012231	0	47	0.0	-39.74	385.98	5.47	-34.27
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012012232	0	35	0.0	-32.03	313.43	6.80	-25.23
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012012233	0	39	0.0	-35.62	331.91	6.00	-29.62
COC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1OC	REAL300012012234	0	43	0.0	-32.07	347.78	5.71	-26.36
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012012235	0	35	0.0	-28.89	322.19	7.27	-21.62
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012012236	0	48	0.0	-35.86	378.08	5.19	-30.67
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC	REAL300012012237	0	43	0.0	-37.67	352.82	5.55	-32.12
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(OC)=C1	REAL300012012238	0	43	0.0	-32.11	351.68	5.00	-27.11
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012012239	0	38	0.0	-37.09	332.81	7.36	-29.73
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012012240	0	35	0.0	-31.22	306.05	6.44	-24.78
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012012241	0	35	0.0	-36.10	318.41	7.15	-28.95
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012012242	0	35	0.0	-34.14	323.83	7.25	-26.89
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012012243	0	39	0.0	-35.64	332.01	5.90	-29.74
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012012244	0	38	0.0	-36.44	320.53	7.34	-29.10
CCCCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012245	0	48	0.0	-35.72	388.43	8.16	-27.56
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012246	0	51	0.0	-35.62	406.00	8.69	-26.93
CCCCCCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012247	0	54	0.0	-35.00	430.10	9.68	-25.32
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012012248	0	46	0.0	-33.75	382.77	9.20	-24.55
CCCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(OCCC)=C1	REAL300012012249	0	55	0.0	-30.11	433.92	8.15	-21.96
COC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012250	0	39	0.0	-32.44	321.43	5.58	-26.86
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012251	0	42	0.0	-33.78	339.59	8.05	-25.73
CCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC	REAL300012012252	0	46	0.0	-36.51	372.52	6.40	-30.11
CC(C)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012253	0	44	0.0	-32.98	352.98	8.24	-24.74
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012012254	0	38	0.0	-34.27	333.13	7.38	-26.89
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(OC)=C1OC	REAL300012012255	0	47	0.0	-32.91	380.86	5.38	-27.53
CCOC1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012256	0	42	0.0	-33.48	342.69	6.61	-26.87
CCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012257	0	42	0.0	-35.85	345.43	6.58	-29.27
COC1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012258	0	39	0.0	-33.75	320.84	5.69	-28.06
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012259	0	39	0.0	-32.95	343.51	6.33	-26.62
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC(Br)=C1O	REAL300012012260	0	40	0.0	-36.45	354.74	4.13	-32.32
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012012261	0	45	0.0	-35.81	368.29	9.77	-26.04
COC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012012262	0	45	0.0	-33.42	364.45	7.85	-25.57
CSC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012263	0	39	0.0	-35.97	334.29	7.38	-28.59
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012012264	0	35	0.0	-29.78	322.17	7.18	-22.60
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012265	0	47	0.0	-33.95	378.72	4.84	-29.11
CCC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012266	0	41	0.0	-33.67	336.96	7.80	-25.87
CC1=CC(C)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=C1	REAL300012012267	0	44	0.0	-31.19	348.46	8.07	-23.12
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012012268	0	35	0.0	-33.06	304.70	6.41	-26.65
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012012269	0	35	0.0	-36.95	306.78	6.48	-30.47
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012270	0	45	0.0	-36.59	387.45	8.34	-28.25
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012012271	0	49	0.0	-33.07	403.19	9.56	-23.51
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1Br	REAL300012012272	0	35	0.0	-27.75	303.94	6.82	-20.93
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1O	REAL300012012273	0	40	0.0	-36.17	334.34	3.50	-32.67
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012274	0	41	0.0	-36.94	333.62	5.05	-31.89
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012275	0	38	0.0	-31.72	332.23	5.00	-26.72
CCC1=NN(C)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012276	0	41	0.0	-33.98	335.86	5.40	-28.58
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012012277	0	38	0.0	-37.33	334.15	5.45	-31.88
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012012278	0	47	0.0	-34.59	359.98	6.29	-28.30
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1I	REAL300012012279	0	35	0.0	-26.93	304.99	7.18	-19.75
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012280	0	47	0.0	-38.45	386.93	8.17	-30.28
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012012281	0	45	0.0	-34.01	374.19	8.12	-25.89
CCOC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1OC	REAL300012012282	0	46	0.0	-34.17	373.42	6.43	-27.74
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OCC(N)=O	REAL300012012283	0	47	0.0	-49.44	389.25	3.44	-46.00
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012284	0	41	0.0	-36.56	349.80	7.20	-29.36
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC2=C1OCO2	REAL300012012285	0	42	0.0	-41.66	349.67	4.30	-37.36
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012012286	0	41	0.0	-34.13	348.51	6.14	-27.99
COC1=CC2=C(C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-])OC(C)C2	REAL300012012287	0	47	0.0	-34.40	379.23	6.31	-28.09
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CS1	REAL300012012288	1	44	0.0	-33.79	371.58	6.15	-27.64
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1C	REAL300012012289	0	42	0.0	-34.15	341.49	6.32	-27.83
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012290	0	44	0.0	-37.52	344.63	5.08	-32.44
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012291	0	43	0.0	-31.39	348.23	5.00	-26.39
COC1=CC=C(F)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012292	0	39	0.0	-35.26	328.07	5.69	-29.57
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(I)=C1	REAL300012012293	0	35	0.0	-32.31	320.53	7.41	-24.90
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(I)C=C1	REAL300012012294	0	35	0.0	-35.32	321.85	7.46	-27.86
CSC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012295	0	36	0.0	-32.75	327.59	6.68	-26.07
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012296	0	48	0.0	-32.48	380.13	10.30	-22.18
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012012297	0	38	0.0	-31.91	320.09	5.01	-26.90
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Cl)C=CS1	REAL300012012298	0	32	0.0	-32.85	299.59	5.91	-26.94
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012299	0	41	0.0	-43.18	354.77	3.88	-39.30
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012012300	0	45	0.0	-35.89	383.69	10.25	-25.64
COC1=CC=C(F)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012301	0	39	0.0	-33.74	328.61	5.78	-27.96
NC(=O)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012302	0	39	0.0	-43.74	327.30	3.10	-40.64
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1F	REAL300012012303	0	39	0.0	-37.62	327.65	5.64	-31.98
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012304	0	39	0.0	-32.95	338.94	6.22	-26.73
COC(=O)C1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CN1C	REAL300012012305	0	42	0.0	-35.58	352.17	6.51	-29.07
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1Cl	REAL300012012306	0	38	0.0	-36.47	329.54	7.46	-29.01
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1C	REAL300012012307	0	42	0.0	-35.36	343.65	6.40	-28.96
CC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1F	REAL300012012308	0	38	0.0	-28.94	317.81	6.94	-22.00
N#CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(F)=C1	REAL300012012309	0	36	0.0	-35.28	320.46	6.76	-28.52
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012012310	0	48	0.0	-35.24	395.96	7.87	-27.37
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012012311	0	34	0.0	-37.87	309.05	5.08	-32.79
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012012312	0	44	0.0	-36.15	367.77	3.67	-32.48
C#CCCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012313	0	44	0.0	-36.20	372.71	7.91	-28.29
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012012314	0	38	0.0	-41.18	319.73	6.82	-34.36
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=C12	REAL300012012315	0	43	0.0	-42.80	360.35	6.09	-36.71
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012012318	0	38	0.0	-39.66	336.45	7.32	-32.34
CCOCC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1OC	REAL300012012319	0	49	0.0	-36.30	395.51	6.49	-29.81
NC(=O)C1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012320	0	39	0.0	-36.61	328.63	3.13	-33.48
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012012321	0	38	0.0	-33.96	331.28	5.85	-28.11
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1CCCCCCC1	REAL300012012322	0	47	0.0	-33.69	336.75	7.54	-26.15
COC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1F	REAL300012012323	0	39	0.0	-40.73	328.95	5.68	-35.05
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012012324	0	35	0.0	-31.58	317.47	6.87	-24.71
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012012325	0	42	0.0	-33.49	339.59	8.27	-25.22
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC=C1Br	REAL300012012326	0	32	0.0	-28.57	302.19	5.85	-22.72
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012327	0	48	0.0	-32.69	383.75	8.08	-24.61
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012012329	0	35	0.0	-35.02	320.46	7.00	-28.02
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012012330	0	40	0.0	-38.21	333.76	6.80	-31.41
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012012331	0	35	0.0	-37.35	313.46	6.88	-30.47
COC1=CC(F)=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012332	0	39	0.0	-34.97	328.67	5.68	-29.29
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012012333	0	35	0.0	-39.23	318.92	6.95	-32.28
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=N1	REAL300012012334	0	45	0.0	-36.11	363.55	6.23	-29.88
CS(=O)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012335	0	40	0.0	-48.46	344.97	4.91	-43.55
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012012336	0	45	0.0	-33.62	356.77	8.85	-24.77
COC(=O)C1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CN1	REAL300012012337	0	39	0.0	-44.49	335.73	4.79	-39.70
COCC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])O1	REAL300012012338	1	39	0.0	-38.19	330.40	4.37	-33.82
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=C1OC	REAL300012012339	0	46	0.0	-34.42	368.86	6.41	-28.01
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012012340	0	32	0.0	-29.44	315.06	6.35	-23.09
CC1=NC(F)=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012341	0	37	0.0	-35.82	309.10	5.19	-30.63
COC1=CC(C)=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012342	0	42	0.0	-31.07	343.62	6.38	-24.69
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012012343	0	34	0.0	-36.94	317.99	4.69	-32.25
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012344	0	41	0.0	-39.18	353.45	3.83	-35.35
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=CS1	REAL300012012345	0	32	0.0	-32.72	299.03	5.90	-26.82
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012012346	0	48	0.0	-32.53	375.47	9.47	-23.06
CC1=CC(Cl)=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012347	0	38	0.0	-32.51	330.90	7.48	-25.03
COCC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012348	0	42	0.0	-35.60	349.14	6.09	-29.51
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012012349	0	42	0.0	-34.81	351.64	8.03	-26.78
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012012350	0	42	0.0	-33.92	343.29	8.46	-25.46
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012012352	0	45	0.0	-35.83	357.69	6.73	-29.10
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012353	0	45	0.0	-31.22	365.75	7.91	-23.31
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012012354	0	38	0.0	-35.54	324.94	7.18	-28.36
COC1=CC(C)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=N1	REAL300012012355	0	44	0.0	-34.09	351.82	3.98	-30.11
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012356	0	39	0.0	-29.92	334.95	6.09	-23.83
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012357	0	45	0.0	-32.99	355.45	7.03	-25.96
CC1=NC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012012358	0	45	0.0	-32.07	370.95	8.56	-23.51
CCCN1N=C(C)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1C	REAL300012012359	0	47	0.0	-36.46	376.93	6.68	-29.78
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012012360	0	40	0.0	-37.55	336.07	6.01	-31.54
COCCN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=N1	REAL300012012361	0	42	0.0	-39.37	352.09	4.07	-35.30
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012012362	0	45	0.0	-33.57	359.84	8.95	-24.62
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012012363	0	45	0.0	-36.38	367.23	7.92	-28.46
CCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1F	REAL300012012364	0	42	0.0	-36.37	351.66	6.66	-29.71
COC1=CC=CC2=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=CC=C12	REAL300012012365	0	45	0.0	-33.32	361.26	7.77	-25.55
N#CC1=CSC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012366	0	33	0.0	-37.17	303.19	5.81	-31.36
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1C#N	REAL300012012367	0	40	0.0	-41.75	341.63	5.99	-35.76
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012368	0	45	0.0	-33.94	368.01	8.17	-25.77
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012012369	0	34	0.0	-36.81	319.43	4.66	-32.15
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1C#N	REAL300012012370	0	39	0.0	-40.26	334.08	7.25	-33.01
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012012371	0	42	0.0	-38.36	357.99	4.65	-33.71
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(Br)=C1	REAL300012012372	0	39	0.0	-29.44	338.40	6.13	-23.31
CC(C)CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=N1	REAL300012012373	0	44	0.0	-38.62	359.74	6.56	-32.06
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012012374	0	42	0.0	-32.16	333.28	8.24	-23.92
CC1=CC(Br)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012375	0	35	0.0	-30.88	324.14	6.76	-24.12
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012376	0	50	0.0	-33.42	402.45	9.02	-24.40
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012377	0	45	0.0	-29.02	382.78	9.04	-19.98
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CC=C21	REAL300012012379	0	46	0.0	-42.06	370.79	7.28	-34.78
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012380	0	42	0.0	-32.87	351.22	6.58	-26.29
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012012381	0	41	0.0	-34.89	373.67	7.82	-27.07
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012012382	0	41	0.0	-37.53	363.61	7.62	-29.91
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012383	0	52	0.0	-31.82	417.53	9.78	-22.04
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012012384	0	46	0.0	-30.51	386.04	8.48	-22.03
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012385	0	44	0.0	-34.79	357.49	6.06	-28.73
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012012386	0	44	0.0	-33.31	363.83	6.91	-26.40
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012012387	0	41	0.0	-37.28	365.11	7.53	-29.75
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012012388	0	38	0.0	-34.72	331.99	5.99	-28.73
CC(C)C1=NC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012389	0	40	0.0	-33.40	340.89	5.59	-27.81
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012012390	0	38	0.0	-38.17	341.88	5.46	-32.71
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012012391	0	35	0.0	-34.17	328.05	7.35	-26.82
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012012392	0	47	0.0	-35.75	403.66	8.87	-26.88
CN1C=C(C2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=C2)C=N1	REAL300012012393	0	45	0.0	-40.03	374.20	7.66	-32.37
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012012394	0	38	0.0	-39.61	331.41	5.31	-34.30
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012012395	0	46	0.0	-37.37	387.86	9.23	-28.14
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012012396	0	45	0.0	-38.59	377.08	7.69	-30.90
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012012397	0	46	0.0	-39.19	379.88	7.40	-31.79
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])N1	REAL300012012398	0	43	0.0	-40.30	351.70	4.52	-35.78
NC(=O)C1=CSC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012399	0	36	0.0	-36.39	318.26	2.15	-34.24
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=N1	REAL300012012400	0	49	0.0	-40.08	402.45	8.79	-31.29
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012401	0	47	0.0	-35.67	376.81	6.51	-29.16
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012012402	0	41	0.0	-33.37	346.48	6.39	-26.98
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012012403	0	42	0.0	-36.16	357.82	4.59	-31.57
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])N=N1	REAL300012012404	0	44	0.0	-33.54	368.14	7.08	-26.46
CN1N=C(Br)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012405	0	35	0.0	-34.26	314.04	4.34	-29.92
CN1C=C(C2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])S2)C=N1	REAL300012012406	0	42	0.0	-38.43	368.03	7.04	-31.39
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012012407	0	47	0.0	-39.25	373.15	7.25	-32.00
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012408	0	42	0.0	-28.98	358.20	7.12	-21.86
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012409	0	41	0.0	-34.38	326.91	7.50	-26.88
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012012410	0	35	0.0	-37.47	322.59	7.19	-30.28
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012012411	0	35	0.0	-39.61	309.55	4.20	-35.41
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012412	0	46	0.0	-34.78	378.80	6.70	-28.08
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012012413	0	39	0.0	-32.72	344.02	6.23	-26.49
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012012414	0	42	0.0	-34.10	350.78	7.10	-27.00
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012012415	0	48	0.0	-34.85	378.98	7.71	-27.14
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012012416	0	48	0.0	-28.47	382.03	7.83	-20.64
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012012418	0	45	0.0	-31.71	391.99	8.29	-23.42
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012012420	0	38	0.0	-32.74	326.14	5.68	-27.06
N#CCCN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012012421	0	48	0.0	-44.69	408.11	7.27	-37.42
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012012422	0	41	0.0	-31.01	351.31	9.86	-21.15
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012423	0	45	0.0	-36.50	372.12	6.87	-29.63
COCCCN1N=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012424	0	45	0.0	-35.61	364.21	4.35	-31.26
CC1=CC(F)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(Cl)=C1	REAL300012012425	0	38	0.0	-29.23	331.88	7.36	-21.87
COCCOCC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012426	0	49	0.0	-36.35	403.30	6.28	-30.07
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012012428	0	35	0.0	-28.25	305.53	6.24	-22.01
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012012429	0	41	0.0	-38.00	364.58	8.91	-29.09
CCN1N=C(C)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=N1	REAL300012012430	0	40	0.0	-38.23	333.22	3.94	-34.29
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012012431	0	49	0.0	-43.78	416.18	8.72	-35.06
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012012432	0	42	0.0	-34.09	343.29	8.45	-25.64
N#CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1F	REAL300012012433	0	36	0.0	-40.01	318.67	6.72	-33.29
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012012434	0	38	0.0	-40.86	331.53	5.38	-35.48
CC1=CC(F)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(F)=C1	REAL300012012435	0	38	0.0	-31.71	324.78	7.03	-24.68
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])O1	REAL300012012436	0	45	0.0	-38.21	371.43	7.12	-31.09
CC(C)CN1N=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012437	0	44	0.0	-32.56	351.71	6.45	-26.11
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012012438	0	34	0.0	-33.95	318.05	5.44	-28.51
COC(=O)C1=C(C)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CN1	REAL300012012439	0	42	0.0	-35.66	351.65	5.37	-30.29
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])S2)C=C1C	REAL300012012440	0	47	0.0	-35.01	395.31	8.51	-26.50
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012441	0	45	0.0	-38.02	374.80	8.23	-29.79
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012442	0	45	0.0	-36.18	382.51	8.77	-27.41
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012443	0	48	0.0	-36.39	393.97	8.82	-27.57
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012444	0	45	0.0	-40.46	369.37	8.27	-32.19
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012445	0	44	0.0	-30.99	342.41	7.98	-23.01
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012012446	0	42	0.0	-36.50	337.35	5.65	-30.85
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012012447	0	41	0.0	-35.29	343.53	5.96	-29.33
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012012448	0	37	0.0	-34.85	316.69	5.15	-29.70
COC1=CC(OC)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1F	REAL300012012449	0	43	0.0	-35.39	355.73	5.01	-30.38
COC1=CC(F)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC	REAL300012012450	0	43	0.0	-38.63	357.33	5.61	-33.02
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(Cl)=C1	REAL300012012451	0	38	0.0	-28.73	328.19	7.47	-21.26
CCC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012452	0	41	0.0	-33.39	336.96	7.79	-25.60
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012453	0	48	0.0	-36.57	394.02	8.81	-27.76
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(F)=C1	REAL300012012454	0	39	0.0	-30.46	327.81	5.62	-24.84
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012012455	0	42	0.0	-31.95	336.97	8.14	-23.81
COC1=CC=CC(F)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012456	0	39	0.0	-30.77	326.21	5.69	-25.08
CCCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=C1	REAL300012012457	0	48	0.0	-32.99	376.72	7.83	-25.16
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012012458	0	37	0.0	-35.08	326.20	6.10	-28.98
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C2CCCN2N=C1	REAL300012012459	0	39	0.0	-39.22	319.23	4.92	-34.30
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012012460	0	38	0.0	-37.57	341.93	7.45	-30.12
CCC1=C2OC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CC2=CC=C1	REAL300012012461	1	44	0.0	-32.80	364.86	8.32	-24.48
C=CCCN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])N=N1	REAL300012012462	0	41	0.0	-32.83	345.29	4.98	-27.85
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012012463	0	42	0.0	-44.73	335.11	5.76	-38.97
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012012464	0	43	0.0	-30.40	357.84	7.28	-23.12
CCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=C1	REAL300012012465	0	45	0.0	-33.53	358.88	7.29	-26.24
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012012466	0	39	0.0	-34.09	338.41	6.06	-28.03
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012012467	0	39	0.0	-34.90	336.22	5.98	-28.92
COC1=NC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012468	0	38	0.0	-36.80	318.48	3.10	-33.70
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012012469	0	48	0.0	-32.18	376.15	9.49	-22.69
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=N1	REAL300012012470	0	45	0.0	-33.01	365.54	5.37	-27.64
COCC1=CSC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012471	0	39	0.0	-34.17	337.45	5.11	-29.06
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012012472	0	41	0.0	-32.04	334.94	4.79	-27.25
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012012473	0	41	0.0	-36.51	375.83	7.90	-28.61
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012012474	0	35	0.0	-37.72	323.38	6.46	-31.26
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012012475	0	35	0.0	-39.10	314.68	5.67	-33.43
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012012476	0	35	0.0	-28.54	311.35	6.42	-22.12
CN(C)C1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=CC(F)=C1F	REAL300012012477	0	43	0.0	-32.68	347.25	6.09	-26.59
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012012478	0	35	0.0	-32.09	316.34	6.74	-25.35
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012012479	0	47	0.0	-36.93	379.39	6.00	-30.93
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1F	REAL300012012480	0	43	0.0	-35.28	357.33	5.86	-29.42
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012481	0	49	0.0	-41.13	395.77	8.09	-33.04
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012012482	0	35	0.0	-42.43	309.06	6.45	-35.98
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012012483	0	42	0.0	-36.16	360.98	6.61	-29.55
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC	REAL300012012484	0	47	0.0	-36.16	406.22	7.68	-28.48
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC1CC1	REAL300012012485	0	47	0.0	-37.83	381.71	7.15	-30.68
CCCN1N=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012486	0	41	0.0	-34.71	329.95	5.27	-29.44
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012487	0	38	0.0	-35.47	333.12	4.85	-30.62
COCC(C)OC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012488	0	49	0.0	-36.34	395.67	6.56	-29.78
CCCC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012489	0	41	0.0	-30.66	347.85	7.78	-22.88
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012012490	0	42	0.0	-35.19	361.44	8.98	-26.21
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012012491	0	48	0.0	-34.97	398.11	8.48	-26.49
CC(C)C1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012492	0	44	0.0	-32.66	352.98	8.23	-24.43
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(Cl)=N1	REAL300012012493	0	35	0.0	-38.85	311.33	4.50	-34.35
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012012494	0	42	0.0	-31.30	365.38	7.01	-24.29
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1C(C)(C)C	REAL300012012495	0	51	0.0	-33.39	392.59	8.26	-25.13
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012012496	0	48	0.0	-33.34	385.13	9.87	-23.47
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012497	0	43	0.0	-29.54	364.73	5.49	-24.05
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=NC=C1Br	REAL300012012498	0	37	0.0	-38.08	328.89	5.71	-32.37
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C(Br)C=C1F	REAL300012012499	0	38	0.0	-33.15	330.33	7.46	-25.69
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012012500	0	36	0.0	-34.57	320.29	4.03	-30.54
CN1C=C(C2=NC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CS2)C=N1	REAL300012012501	0	41	0.0	-41.97	363.59	4.94	-37.03
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1Cl	REAL300012012502	0	39	0.0	-36.36	337.45	6.13	-30.23
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012012503	0	45	0.0	-35.41	360.03	6.72	-28.69
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012012504	0	41	0.0	-33.68	352.07	6.21	-27.47
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012012505	0	41	0.0	-34.24	338.01	7.75	-26.49
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(Br)=N1	REAL300012012506	0	35	0.0	-37.78	315.37	4.56	-33.22
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(F)=C1	REAL300012012507	0	38	0.0	-29.82	321.05	7.05	-22.77
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012508	0	42	0.0	-41.87	348.87	5.21	-36.66
CN1N=CC2=CC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CN=C21	REAL300012012509	0	40	0.0	-41.82	337.06	5.45	-36.37
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012012510	0	34	0.0	-32.24	314.41	5.11	-27.13
COC1=CC(Cl)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC	REAL300012012511	0	43	0.0	-36.10	363.43	6.01	-30.09
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012012512	0	41	0.0	-35.95	353.74	8.10	-27.85
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012513	0	45	0.0	-35.49	358.27	6.34	-29.15
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C(C)N1	REAL300012012514	0	48	0.0	-40.16	392.47	6.69	-33.47
CC1=C(C)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CS1	REAL300012012515	0	38	0.0	-31.50	316.47	6.56	-24.94
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012012516	0	34	0.0	-39.45	311.67	5.04	-34.41
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012012517	0	45	0.0	-37.16	384.93	10.25	-26.91
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012012518	0	35	0.0	-42.17	325.52	7.07	-35.10
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Br)SC=C1	REAL300012012519	0	32	0.0	-32.05	299.49	5.94	-26.11
CCOC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C(F)C=C1OC	REAL300012012520	0	46	0.0	-37.41	377.02	6.43	-30.98
COC1=NC=C(Br)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012521	0	38	0.0	-31.80	341.13	3.73	-28.07
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012012522	0	41	0.0	-34.70	335.21	8.37	-26.33
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CN=C1Br	REAL300012012523	0	34	0.0	-30.15	300.53	4.97	-25.18
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012012524	0	35	0.0	-36.91	325.28	7.34	-29.57
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012012525	0	39	0.0	-30.52	329.43	5.82	-24.70
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012526	0	45	0.0	-31.95	362.35	7.13	-24.82
CCOC1=CC(F)=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012527	0	42	0.0	-34.91	350.53	6.61	-28.30
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012012528	0	49	0.0	-40.54	390.09	7.37	-33.17
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012012529	0	39	0.0	-32.29	337.57	5.91	-26.38
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012530	0	48	0.0	-32.22	373.16	7.44	-24.78
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012531	0	38	0.0	-31.97	321.54	7.50	-24.47
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C(F)C=C1C	REAL300012012532	0	42	0.0	-36.44	348.18	6.45	-29.99
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=C1Br	REAL300012012533	0	41	0.0	-30.82	341.63	8.07	-22.75
CC1=CC=NC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1Br	REAL300012012534	0	37	0.0	-31.17	324.40	5.56	-25.61
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012535	0	52	0.0	-39.77	414.84	6.56	-33.21
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012012536	0	45	0.0	-33.07	382.49	7.39	-25.68
COCCC1=NC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012538	0	41	0.0	-35.79	355.94	4.14	-31.65
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012012540	1	36	0.0	-35.09	314.97	3.67	-31.42
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012541	0	43	0.0	-33.53	356.32	5.96	-27.57
CCN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012012542	0	48	0.0	-35.57	380.75	8.09	-27.48
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012012543	0	43	0.0	-33.01	340.28	6.33	-26.68
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1C	REAL300012012544	0	51	0.0	-32.02	391.39	7.41	-24.61
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012012545	0	37	0.0	-41.29	321.84	6.90	-34.39
CC1=C(Br)C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012546	0	35	0.0	-33.26	326.66	6.86	-26.40
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012012547	0	45	0.0	-35.19	382.86	10.20	-24.99
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012012548	0	40	0.0	-35.84	324.76	6.45	-29.39
CCCOC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1C	REAL300012012549	0	48	0.0	-34.28	384.85	8.05	-26.23
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012012550	0	39	0.0	-37.95	330.12	4.76	-33.19
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012012551	0	49	0.0	-37.93	406.29	7.35	-30.58
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012552	0	42	0.0	-30.68	348.08	6.61	-24.07
CC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012553	0	38	0.0	-28.56	333.82	7.39	-21.17
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012012554	0	40	0.0	-36.44	330.52	7.56	-28.88
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012555	0	43	0.0	-34.81	350.17	7.90	-26.91
COC1=CC=C(CN2C=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])N=N2)C=C1	REAL300012012556	0	48	0.0	-36.30	400.42	5.96	-30.34
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(F)=C1OC	REAL300012012557	0	43	0.0	-33.05	362.12	5.69	-27.36
COC(=O)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(F)=C1	REAL300012012558	0	41	0.0	-34.24	354.41	7.03	-27.21
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012012559	0	45	0.0	-34.69	380.72	6.73	-27.96
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012012560	0	49	0.0	-36.02	405.35	9.64	-26.38
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012012561	0	42	0.0	-38.91	355.71	6.93	-31.98
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012012562	0	34	0.0	-37.88	304.48	4.98	-32.90
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012563	0	51	0.0	-35.83	407.25	9.29	-26.54
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012564	0	42	0.0	-35.71	344.84	7.68	-28.03
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(CCF)N=C1	REAL300012012565	0	38	0.0	-35.73	323.69	5.12	-30.61
CCCC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012567	0	44	0.0	-33.57	358.46	8.58	-24.99
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012012568	0	41	0.0	-37.51	374.33	7.62	-29.89
COC1=CC=C(C2=NC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CS2)C=C1	REAL300012012569	0	45	0.0	-38.64	388.36	6.46	-32.18
CC1=C2C=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=NC2=NN1	REAL300012012571	0	40	0.0	-42.48	337.14	4.87	-37.61
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012572	0	43	0.0	-45.03	371.38	2.97	-42.06
CN1N=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C2=CC=CC=C21	REAL300012012573	0	41	0.0	-37.68	344.02	6.28	-31.40
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012012574	0	38	0.0	-37.26	320.97	4.97	-32.29
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012012574	1	38	0.0	-31.80	321.17	4.99	-26.81
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012575	0	35	0.0	-39.26	327.54	5.64	-33.62
CCC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012576	0	38	0.0	-31.36	327.67	7.04	-24.32
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012012577	0	40	0.0	-30.27	329.56	6.58	-23.69
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012012578	0	41	0.0	-37.88	338.31	7.24	-30.64
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012579	0	55	0.0	-33.86	415.86	8.45	-25.41
CCC1=NC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012580	0	37	0.0	-34.39	322.26	5.06	-29.33
COC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])SC=C1	REAL300012012581	0	36	0.0	-31.52	314.19	4.76	-26.76
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012012582	0	41	0.0	-37.09	350.26	4.59	-32.50
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC=C1Cl	REAL300012012583	0	32	0.0	-29.00	298.77	5.75	-23.25
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012584	0	40	0.0	-33.52	346.11	5.44	-28.08
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012585	0	46	0.0	-32.68	386.41	6.70	-25.98
CCCC(C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-])C1=CC=CC=C1	REAL300012012586	0	47	0.0	-31.04	372.61	8.98	-22.06
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012012587	0	40	0.0	-30.79	344.64	7.18	-23.61
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012012588	0	35	0.0	-38.10	324.95	6.66	-31.44
CN(C)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012012589	0	46	0.0	-36.30	375.13	7.83	-28.47
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012590	0	45	0.0	-36.78	375.00	8.94	-27.84
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012591	0	44	0.0	-39.65	384.31	7.94	-31.71
CC(C)C1CCC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])CC1	REAL300012012592	0	50	0.0	-32.71	362.62	8.11	-24.60
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012012593	0	38	0.0	-40.42	352.66	7.66	-32.76
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012012594	0	38	0.0	-42.12	341.05	7.43	-34.69
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012595	0	46	0.0	-37.91	380.72	7.76	-30.15
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012596	0	49	0.0	-35.34	391.86	7.94	-27.40
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012597	0	45	0.0	-37.17	364.56	7.47	-29.70
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012012598	0	44	0.0	-37.52	364.91	7.93	-29.59
CN1N=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1Cl	REAL300012012599	0	35	0.0	-31.37	310.55	4.41	-26.96
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012012600	1	37	0.0	-35.40	316.72	3.83	-31.57
COC1=CC=C(N2C=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=N2)C=C1	REAL300012012601	0	46	0.0	-41.70	382.40	6.87	-34.83
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012602	0	50	0.0	-34.30	415.97	9.77	-24.53
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012012603	0	37	0.0	-42.02	332.17	4.29	-37.73
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012012604	0	42	0.0	-34.13	341.93	8.43	-25.70
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=NC=C1Br	REAL300012012605	0	34	0.0	-35.11	302.57	5.10	-30.01
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012606	0	38	0.0	-44.26	347.16	3.04	-41.22
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012012607	0	41	0.0	-34.08	341.13	7.04	-27.04
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(F)=C1	REAL300012012608	0	40	0.0	-45.40	350.62	1.29	-44.11
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012611	0	37	0.0	-34.17	321.13	5.56	-28.61
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012612	0	38	0.0	-38.21	329.30	4.89	-33.32
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012613	0	42	0.0	-33.63	343.52	5.95	-27.68
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012614	0	45	0.0	-34.06	357.69	6.39	-27.67
CC1=C2C=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])NC2=CC=C1	REAL300012012615	0	42	0.0	-34.99	344.76	6.87	-28.12
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012012616	0	41	0.0	-35.18	339.55	5.27	-29.91
CC1=CC=C2C=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])NC2=C1	REAL300012012617	0	42	0.0	-35.34	347.33	6.96	-28.38
CCOC1=CN=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012618	0	41	0.0	-35.99	339.04	4.72	-31.27
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=NC=C1Cl	REAL300012012619	0	34	0.0	-35.91	300.67	5.06	-30.85
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012012620	0	46	0.0	-35.29	369.24	4.97	-30.32
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012012621	0	38	0.0	-40.00	318.88	5.01	-34.99
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012622	0	43	0.0	-36.32	332.26	6.69	-29.63
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012012623	0	39	0.0	-35.66	325.44	6.37	-29.29
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012012625	0	37	0.0	-38.46	323.49	5.43	-33.03
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012626	0	44	0.0	-36.32	359.27	6.46	-29.86
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012012627	0	45	0.0	-36.22	368.54	3.80	-32.42
COC1=CN=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1C	REAL300012012628	0	41	0.0	-35.44	333.32	4.45	-30.99
CC1=CC(C)=C(C=CC[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=C1	REAL300012012629	0	48	0.0	-35.47	384.14	9.48	-25.99
CC(C)(C)OC(=O)NC(C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-])CC(F)F	REAL300012012630	0	51	0.0	-40.17	404.31	5.19	-34.98
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012012631	0	45	0.0	-35.27	369.08	3.94	-31.33
CCCN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])N=N1	REAL300012012632	0	40	0.0	-33.60	333.80	4.46	-29.14
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012633	0	43	0.0	-32.21	345.10	6.12	-26.09
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012012634	0	39	0.0	-31.36	325.45	7.00	-24.36
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012012635	0	40	0.0	-38.28	339.34	6.72	-31.56
CC1=CC(C)=C(C=CC[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1C	REAL300012012636	0	48	0.0	-36.14	380.99	9.37	-26.77
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012637	0	40	0.0	-42.52	346.93	1.28	-41.24
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012012639	0	44	0.0	-35.52	345.71	6.82	-28.70
CC1=NN(C)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1Cl	REAL300012012640	0	38	0.0	-30.82	333.16	5.00	-25.82
CN1C=CC(C2=NC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CS2)=N1	REAL300012012641	0	41	0.0	-33.97	362.37	4.78	-29.19
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012012642	0	48	0.0	-34.19	380.44	7.18	-27.01
CC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1Br	REAL300012012643	0	38	0.0	-27.44	324.99	7.33	-20.11
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012012644	0	46	0.0	-36.32	387.05	9.20	-27.12
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012012645	0	43	0.0	-36.10	347.78	6.99	-29.11
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012646	0	45	0.0	-36.17	366.25	6.20	-29.97
CCC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(Cl)=NN1	REAL300012012647	0	38	0.0	-29.85	330.23	4.41	-25.44
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012012648	0	39	0.0	-36.49	337.85	5.22	-31.27
CCC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=NO1	REAL300012012649	0	40	0.0	-33.54	329.79	5.97	-27.57
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C2CCCCC2=N1	REAL300012012650	0	47	0.0	-33.53	362.98	7.43	-26.10
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012012651	0	50	0.0	-31.58	385.92	8.33	-23.25
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012012653	0	34	0.0	-41.36	318.41	4.43	-36.93
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CN=C1F	REAL300012012654	0	37	0.0	-37.56	315.71	5.14	-32.42
CC1=CC(F)=NC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012655	0	37	0.0	-37.42	307.19	5.15	-32.27
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012012656	0	38	0.0	-35.77	331.12	7.24	-28.53
COC(=O)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1C	REAL300012012657	0	44	0.0	-38.31	364.92	7.55	-30.76
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=C1	REAL300012012658	0	42	0.0	-33.32	333.36	6.11	-27.21
CC1=C(Cl)C=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1Cl	REAL300012012659	0	38	0.0	-29.40	339.53	7.82	-21.58
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012660	0	36	0.0	-35.78	327.29	7.26	-28.52
CC1CC2=CC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CC=C2O1	REAL300012012661	0	43	0.0	-35.84	350.96	6.94	-28.90
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012012662	0	38	0.0	-34.33	325.83	3.85	-30.48
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012012663	0	40	0.0	-36.42	329.82	6.18	-30.24
CSCC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012664	0	42	0.0	-35.53	360.20	8.25	-27.28
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012012665	0	45	0.0	-38.40	364.99	7.06	-31.34
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012666	0	43	0.0	-36.55	348.06	3.91	-32.64
CN1N=C2CCCC2=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012667	0	42	0.0	-36.54	340.80	5.83	-30.71
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012012668	0	42	0.0	-33.12	340.08	6.05	-27.07
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012012669	0	42	0.0	-34.79	342.24	6.14	-28.65
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012670	0	48	0.0	-40.21	395.63	7.94	-32.27
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012671	0	45	0.0	-41.86	378.09	7.31	-34.55
COC1=CC=C(C)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012672	0	42	0.0	-31.06	333.37	6.10	-24.96
CN1C=NC2=CC=CC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=C21	REAL300012012673	0	41	0.0	-37.32	326.12	7.66	-29.66
CCC1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012674	0	41	0.0	-30.76	322.70	7.48	-23.28
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012675	0	45	0.0	-45.66	363.38	6.04	-39.62
CC1=CC(F)=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012676	0	38	0.0	-33.03	320.57	7.05	-25.98
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=C1C	REAL300012012677	0	44	0.0	-32.49	342.27	8.17	-24.32
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012678	0	45	0.0	-43.33	370.71	5.44	-37.89
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012679	0	47	0.0	-30.39	353.38	8.32	-22.07
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012012680	0	45	0.0	-37.57	348.82	6.71	-30.86
COC1=CC=C2SC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CC2=C1	REAL300012012681	0	42	0.0	-36.14	359.69	7.14	-29.00
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CON=C1C1CC1	REAL300012012682	0	38	0.0	-37.58	320.83	5.92	-31.66
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012683	0	51	0.0	-44.11	405.08	8.09	-36.02
CCN1CCC2=CC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CC=C21	REAL300012012684	0	47	0.0	-34.10	372.06	6.94	-27.16
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012685	0	48	0.0	-43.84	385.62	7.17	-36.67
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=NN1C(C)C	REAL300012012686	0	44	0.0	-37.28	354.87	6.05	-31.23
CSC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1Cl	REAL300012012687	0	39	0.0	-35.00	349.30	7.82	-27.18
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1C1CC1	REAL300012012688	0	45	0.0	-32.70	358.95	8.90	-23.80
CCOC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=N1	REAL300012012689	0	41	0.0	-38.93	343.02	4.00	-34.93
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1C1CC1	REAL300012012690	0	45	0.0	-33.24	360.51	8.98	-24.26
CC1=NN(C2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C(C)=C2)C=C1	REAL300012012691	0	48	0.0	-36.46	387.59	8.60	-27.86
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012012692	0	41	0.0	-36.92	365.28	8.23	-28.69
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012693	0	45	0.0	-36.55	384.97	8.59	-27.96
CCC1=CC(Br)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012694	0	38	0.0	-30.63	345.62	7.54	-23.09
CC1=NN(C2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=C2)C=C1Cl	REAL300012012695	0	45	0.0	-36.87	388.83	8.56	-28.31
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])O2)N1	REAL300012012696	1	42	0.0	-36.32	362.66	5.15	-31.17
CC(C)(C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012012698	0	44	0.0	-35.57	363.44	8.69	-26.88
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012699	0	47	0.0	-32.86	376.21	6.62	-26.24
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NN(CCF)C=C1	REAL300012012700	0	38	0.0	-37.84	323.75	5.03	-32.81
CCN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=N1	REAL300012012701	0	41	0.0	-37.62	338.03	5.61	-32.01
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012012702	0	35	0.0	-34.54	330.78	7.43	-27.11
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=C1	REAL300012012703	0	51	0.0	-33.89	403.48	11.06	-22.83
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2CC2)=N1	REAL300012012704	0	42	0.0	-35.06	348.95	6.34	-28.72
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012706	0	47	0.0	-42.00	387.49	5.70	-36.30
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012012707	0	52	0.0	-42.29	407.46	8.23	-34.06
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012708	0	42	0.0	-35.42	346.41	6.02	-29.40
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012709	0	45	0.0	-38.20	363.25	9.20	-29.00
CC(C)C1=NOC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012710	0	40	0.0	-37.18	330.10	5.58	-31.60
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012012711	0	39	0.0	-32.64	339.83	4.54	-28.10
COC1=NC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1F	REAL300012012713	0	38	0.0	-31.40	324.59	3.03	-28.37
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012012714	0	35	0.0	-29.27	326.21	7.26	-22.01
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012012715	0	35	0.0	-41.81	324.93	7.05	-34.76
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012012716	0	35	0.0	-42.89	311.46	6.31	-36.58
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012012717	0	47	0.0	-34.44	376.81	7.90	-26.54
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012012719	0	44	0.0	-35.02	372.23	6.69	-28.33
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])CC1	REAL300012012720	0	55	0.0	-37.68	415.63	7.30	-30.38
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012721	0	37	0.0	-28.52	321.33	5.53	-22.99
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012012722	0	41	0.0	-37.19	365.81	4.20	-32.99
CC1OC2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=C2C1C	REAL300012012723	0	46	0.0	-35.99	366.16	7.42	-28.57
CC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OC(F)F	REAL300012012724	0	42	0.0	-37.32	351.25	6.60	-30.72
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012725	0	47	0.0	-29.83	357.37	8.60	-21.23
CN1N=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012012726	0	41	0.0	-39.41	335.61	1.42	-37.99
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012012727	0	38	0.0	-36.84	329.65	4.13	-32.71
CC(C)CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])N=N1	REAL300012012728	0	43	0.0	-33.46	353.59	5.21	-28.25
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012012730	0	35	0.0	-37.32	312.99	3.61	-33.71
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012012731	0	40	0.0	-33.02	327.77	6.12	-26.90
CN1C=C(Cl)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=N1	REAL300012012732	1	35	0.0	-32.96	313.52	4.56	-28.40
CS(=O)(=O)C1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=CS1	REAL300012012733	0	38	0.0	-47.62	338.19	3.17	-44.45
CSC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012734	0	39	0.0	-31.91	332.14	7.29	-24.62
CC(C)C1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])N(C)N=C1	REAL300012012735	0	44	0.0	-34.47	353.29	5.76	-28.71
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC(C)=N1	REAL300012012736	0	40	0.0	-36.64	332.18	5.81	-30.83
CC1=C(Br)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C(C)S1	REAL300012012737	0	38	0.0	-26.70	337.87	7.15	-19.55
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012012738	0	45	0.0	-34.66	365.40	6.98	-27.68
CCCN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=N1	REAL300012012739	0	44	0.0	-36.69	357.56	6.31	-30.38
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012012740	1	37	0.0	-36.95	316.71	5.07	-31.88
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012012741	0	42	0.0	-31.46	359.27	8.61	-22.85
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012012742	0	43	0.0	-35.38	354.59	7.33	-28.05
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012012743	0	39	0.0	-31.39	345.63	6.16	-25.23
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012012744	0	41	0.0	-33.54	363.95	8.19	-25.35
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=C1	REAL300012012745	0	48	0.0	-39.36	389.27	9.37	-29.99
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=C2)C=N1	REAL300012012746	0	48	0.0	-39.80	389.65	9.89	-29.91
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012747	0	42	0.0	-36.54	350.55	4.63	-31.91
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012012748	0	49	0.0	-33.51	389.05	10.38	-23.13
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012750	0	45	0.0	-35.33	370.72	5.43	-29.90
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012012751	0	41	0.0	-32.84	348.51	7.57	-25.27
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012012752	0	42	0.0	-36.09	339.88	5.22	-30.87
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012753	0	45	0.0	-37.08	374.15	7.49	-29.59
CCCN1C=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=N1	REAL300012012754	0	41	0.0	-37.61	339.98	5.69	-31.92
CC(C)N1C=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=N1	REAL300012012755	0	41	0.0	-36.48	335.84	5.41	-31.07
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012756	0	46	0.0	-35.88	364.16	6.81	-29.07
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012012757	0	38	0.0	-42.66	336.36	5.42	-37.24
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012012758	0	45	0.0	-29.94	357.91	8.16	-21.78
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012760	0	38	0.0	-32.44	336.72	3.54	-28.90
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012012761	0	38	0.0	-31.28	324.13	5.05	-26.23
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012012762	0	38	0.0	-32.83	332.67	7.28	-25.55
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012012763	0	43	0.0	-32.16	338.04	6.30	-25.86
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012764	0	42	0.0	-31.86	356.99	7.00	-24.86
COC1=NN(C)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012765	0	39	0.0	-32.14	327.63	2.02	-30.12
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012012767	0	42	0.0	-33.20	342.70	5.75	-27.45
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012012768	1	42	0.0	-31.83	338.36	7.18	-24.65
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012012769	0	37	0.0	-43.10	328.70	7.10	-36.00
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012012770	0	48	0.0	-37.88	378.74	7.41	-30.47
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012012771	0	42	0.0	-33.13	367.95	7.83	-25.30
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012012772	0	35	0.0	-32.25	325.97	7.03	-25.22
CN(CCO)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=N1	REAL300012012773	0	46	0.0	-37.47	373.65	3.92	-33.55
COC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012012774	0	51	0.0	-30.10	387.53	8.08	-22.02
CN1C=C(Br)N=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012775	0	35	0.0	-31.45	316.29	5.23	-26.22
COC1=CC(C)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=N1	REAL300012012776	0	41	0.0	-36.25	335.10	3.76	-32.49
COC1=CC(C)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1O	REAL300012012777	0	43	0.0	-37.77	347.71	4.18	-33.59
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012012778	0	41	0.0	-47.32	348.68	5.39	-41.93
CN1C(=O)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012012779	0	44	0.0	-30.71	360.10	7.11	-23.60
COC1=NC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1C	REAL300012012780	0	41	0.0	-30.86	340.06	3.70	-27.16
CCCN1C=NC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012781	0	41	0.0	-31.54	330.20	7.16	-24.38
CC1=CC(C)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=C1Br	REAL300012012782	0	44	0.0	-33.67	360.18	8.42	-25.25
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012012783	0	42	0.0	-39.67	351.19	6.30	-33.37
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012012784	0	48	0.0	-32.97	383.83	9.83	-23.14
CCC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=NN1CC	REAL300012012785	0	44	0.0	-35.71	343.56	5.99	-29.72
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012012786	0	35	0.0	-33.89	319.55	6.86	-27.03
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012787	0	52	0.0	-38.40	414.57	6.56	-31.84
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012012788	0	39	0.0	-36.11	325.67	4.81	-31.30
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012012789	0	39	0.0	-38.33	337.78	5.90	-32.43
COC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=CS1	REAL300012012790	0	36	0.0	-31.13	315.62	4.77	-26.36
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012012791	0	38	0.0	-28.96	330.50	6.01	-22.95
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012792	0	41	0.0	-33.70	347.28	7.88	-25.82
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012012793	0	41	0.0	-35.58	355.68	7.09	-28.49
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=N1	REAL300012012794	0	42	0.0	-41.49	354.07	3.90	-37.59
CCCN1N=C(C)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1Cl	REAL300012012795	0	44	0.0	-34.38	375.54	6.62	-27.76
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])S1	REAL300012012796	0	41	0.0	-39.59	360.75	5.67	-33.92
N#CC1=CC(F)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(Br)=C1	REAL300012012797	0	36	0.0	-32.88	333.74	7.12	-25.76
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012012798	0	35	0.0	-30.88	310.00	6.49	-24.39
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012012799	0	42	0.0	-35.64	359.64	8.78	-26.86
CC(C)(C)C1=NNC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012800	0	44	0.0	-36.49	356.06	5.18	-31.31
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012012801	0	41	0.0	-33.20	351.75	8.99	-24.21
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012012802	0	52	0.0	-34.22	403.60	9.19	-25.03
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012012803	0	46	0.0	-36.39	399.49	9.71	-26.68
C=CCC1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012804	0	42	0.0	-31.47	336.38	8.06	-23.41
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012012805	0	55	0.0	-31.92	421.45	9.80	-22.12
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=C2)=C1	REAL300012012806	0	50	0.0	-39.57	412.27	8.51	-31.06
CCN1CCCC2=CC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=CC=C21	REAL300012012807	0	50	0.0	-33.62	381.70	7.33	-26.29
COCC1=CN=C(OC)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012808	0	45	0.0	-35.27	372.65	2.86	-32.41
CN1N=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1Br	REAL300012012809	0	35	0.0	-30.84	314.69	4.49	-26.35
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012810	0	50	0.0	-37.23	411.22	9.06	-28.17
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN=NN1C1CC1	REAL300012012811	0	38	0.0	-40.39	317.54	4.26	-36.13
COCC1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012812	0	42	0.0	-33.29	339.98	6.20	-27.09
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012012813	0	48	0.0	-33.72	402.68	11.05	-22.67
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012012814	0	39	0.0	-33.83	348.32	7.73	-26.10
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012012815	0	48	0.0	-37.66	387.28	7.03	-30.63
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012012816	0	43	0.0	-34.77	346.47	6.40	-28.37
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(CCO)N=C1	REAL300012012817	0	39	0.0	-39.25	328.52	1.62	-37.63
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012012818	0	41	0.0	-37.40	354.62	8.49	-28.91
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012012819	0	41	0.0	-38.45	346.54	4.44	-34.01
COC1=CC=C(F)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1OC	REAL300012012820	0	43	0.0	-31.80	358.12	5.63	-26.17
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC=CC1=CC=NC=C1	REAL300012012821	0	38	0.0	-37.61	317.98	5.81	-31.80
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=N1	REAL300012012822	0	42	0.0	-36.58	344.55	3.84	-32.74
CC1=CC=C(F)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1Br	REAL300012012823	0	38	0.0	-31.17	335.67	7.44	-23.73
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012012824	0	58	0.0	-33.22	444.89	10.61	-22.61
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012012825	0	49	0.0	-32.83	393.67	8.71	-24.12
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012826	0	41	0.0	-36.04	334.63	7.87	-28.17
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC=C1OCCO	REAL300012012827	0	47	0.0	-39.45	383.89	3.31	-36.14
CCN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2CC2)=N1	REAL300012012828	0	45	0.0	-33.94	369.17	7.16	-26.78
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1OCCO	REAL300012012829	0	47	0.0	-40.13	386.05	3.39	-36.74
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012012830	0	45	0.0	-45.60	366.98	4.87	-40.73
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012831	0	43	0.0	-38.91	342.88	6.03	-32.88
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012012832	0	40	0.0	-38.58	335.08	6.83	-31.75
CC1=CC2=CC=CC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=C2O1	REAL300012012833	0	41	0.0	-37.80	343.30	7.51	-30.29
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012012834	0	38	0.0	-40.64	327.90	7.45	-33.19
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012012835	0	42	0.0	-36.18	368.97	7.13	-29.05
COC1=CSC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1OC	REAL300012012836	0	40	0.0	-32.43	335.54	4.37	-28.06
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CON=C1C1CCC1	REAL300012012837	0	41	0.0	-34.84	336.62	6.36	-28.48
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012012838	0	38	0.0	-32.13	336.86	5.46	-26.67
CS(=O)(=O)C1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])SC=C1	REAL300012012839	0	38	0.0	-40.63	325.63	2.76	-37.87
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012012841	0	38	0.0	-31.42	337.05	7.35	-24.07
CC(C)OC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1F	REAL300012012842	0	45	0.0	-36.10	369.58	7.28	-28.82
CCN1C=C(Cl)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=N1	REAL300012012843	1	38	0.0	-33.22	333.73	5.37	-27.85
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012012844	0	35	0.0	-41.84	320.67	6.95	-34.89
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012012845	0	38	0.0	-33.79	328.24	7.29	-26.50
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012012846	0	41	0.0	-30.86	344.60	8.61	-22.25
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012847	0	38	0.0	-40.43	346.31	2.96	-37.47
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CSC(Cl)=C1	REAL300012012848	0	32	0.0	-35.59	299.78	5.87	-29.72
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=NN1C1CCC1	REAL300012012849	0	45	0.0	-32.90	359.56	6.77	-26.13
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012012850	0	42	0.0	-37.07	367.48	8.01	-29.06
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012851	0	48	0.0	-33.71	381.74	7.43	-26.28
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012012852	0	38	0.0	-37.46	328.00	5.03	-32.43
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012853	0	45	0.0	-38.15	366.93	6.73	-31.42
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012012854	0	38	0.0	-39.79	335.60	7.81	-31.98
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012012855	0	34	0.0	-32.40	305.74	4.87	-27.53
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012012856	0	42	0.0	-38.49	359.32	7.64	-30.85
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012857	0	42	0.0	-33.20	343.64	4.28	-28.92
COC1=NC(C)=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=C1Cl	REAL300012012858	0	44	0.0	-34.65	365.07	4.49	-30.16
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012859	0	44	0.0	-32.90	368.99	6.68	-26.22
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012012860	0	42	0.0	-37.10	342.30	6.03	-31.07
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012012861	0	38	0.0	-41.27	329.01	5.22	-36.05
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012012862	0	39	0.0	-34.97	340.00	5.79	-29.18
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012863	0	51	0.0	-35.63	396.38	7.93	-27.70
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012012864	0	46	0.0	-35.65	369.50	5.00	-30.65
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012865	0	49	0.0	-35.67	389.91	5.53	-30.14
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012012866	0	45	0.0	-36.10	358.54	6.67	-29.43
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012867	0	37	0.0	-39.86	339.89	0.36	-39.50
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012012868	0	34	0.0	-31.76	319.93	5.44	-26.32
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012012869	0	50	0.0	-40.39	398.06	5.79	-34.60
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012870	0	48	0.0	-36.32	379.38	7.38	-28.94
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012012871	0	38	0.0	-35.75	317.77	7.33	-28.42
CC1=CC(Br)=C(F)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012872	0	38	0.0	-29.22	339.28	7.62	-21.60
COC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1Br	REAL300012012873	0	39	0.0	-36.14	336.34	6.20	-29.94
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012012874	0	38	0.0	-42.44	319.01	5.02	-37.42
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012012875	0	35	0.0	-42.33	321.10	6.97	-35.36
CC1=C(F)C=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012876	0	38	0.0	-33.06	314.79	6.94	-26.12
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])=C2)C=N1	REAL300012012877	0	45	0.0	-39.18	372.88	7.60	-31.58
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012012878	0	45	0.0	-44.78	379.32	8.72	-36.06
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012879	0	38	0.0	-30.68	325.19	7.42	-23.26
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012880	0	40	0.0	-34.70	343.78	6.16	-28.54
COC1=NC2=CC=C(C[NH2+]C(CC3=NC=CC(=O)N3)C(=O)[O-])C=C2S1	REAL300012012881	0	41	0.0	-37.13	357.17	4.13	-33.00
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012012882	0	34	0.0	-39.97	310.42	5.09	-34.88
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012012883	0	35	0.0	-29.77	327.46	7.35	-22.42
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012884	0	37	0.0	-34.36	318.23	5.64	-28.72
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012885	0	51	0.0	-32.54	405.87	8.69	-23.85
COC1=CC(Cl)=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012886	0	39	0.0	-34.58	338.99	6.12	-28.46
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012012887	0	38	0.0	-31.20	343.53	7.63	-23.57
COC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CC(F)=C1F	REAL300012012888	0	39	0.0	-39.12	336.10	5.79	-33.33
COC1=CC(C)=NC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012889	0	41	0.0	-34.42	338.00	4.52	-29.90
CC(C)N1C=NC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012890	0	41	0.0	-30.40	336.25	6.87	-23.53
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012891	0	42	0.0	-41.62	354.31	3.94	-37.68
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2CC2)=NO1	REAL300012012892	0	41	0.0	-37.20	343.34	6.76	-30.44
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1C	REAL300012012893	0	45	0.0	-40.46	374.46	6.03	-34.43
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012895	0	41	0.0	-31.59	345.41	7.91	-23.68
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012012896	0	36	0.0	-34.01	323.11	3.95	-30.06
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012012897	0	38	0.0	-32.75	332.83	5.37	-27.38
N#CC1=CC(F)=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012898	0	36	0.0	-40.26	320.03	6.77	-33.49
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012012899	0	51	0.0	-32.36	393.78	10.09	-22.27
COC1=CC=CC=C1C=CC[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012900	0	43	0.0	-38.01	352.17	6.97	-31.04
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])SC(Br)=C1	REAL300012012901	0	35	0.0	-34.75	324.50	6.77	-27.98
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012902	0	45	0.0	-34.33	361.89	6.71	-27.62
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=NN1CC(F)F	REAL300012012903	0	41	0.0	-36.12	346.40	5.70	-30.42
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012012904	0	43	0.0	-38.70	363.26	6.70	-32.00
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012905	0	44	0.0	-34.78	374.31	6.54	-28.24
CC(C)N1C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300012012906	0	47	0.0	-29.97	389.06	8.35	-21.62
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012907	0	42	0.0	-35.54	354.96	5.53	-30.01
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012012908	0	48	0.0	-35.35	396.87	10.82	-24.53
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012909	0	51	0.0	-42.63	413.74	7.61	-35.02
COC1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=N1	REAL300012012910	0	41	0.0	-34.76	334.86	3.73	-31.03
CCN(C)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C)=C1	REAL300012012911	0	49	0.0	-31.34	377.17	8.15	-23.19
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012012912	0	34	0.0	-34.39	318.51	5.49	-28.90
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012012913	0	32	0.0	-30.14	315.53	6.38	-23.76
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012914	0	56	0.0	-33.43	419.96	8.30	-25.13
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012915	0	46	0.0	-31.55	370.47	5.69	-25.86
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012012916	0	38	0.0	-35.96	322.06	7.18	-28.78
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012012917	0	39	0.0	-36.31	356.10	6.70	-29.61
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012012918	0	45	0.0	-36.93	381.33	9.14	-27.79
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012012919	0	38	0.0	-35.41	329.68	7.69	-27.72
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012012920	0	44	0.0	-37.71	362.17	7.98	-29.73
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1CO	REAL300012012921	0	39	0.0	-33.89	317.73	3.80	-30.09
CC1=NSC(C)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012922	0	37	0.0	-33.46	313.20	5.09	-28.37
CC(C)(C)C1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=NO1	REAL300012012923	0	43	0.0	-35.76	342.20	6.16	-29.60
CC1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1C(F)(F)F	REAL300012012924	0	41	0.0	-37.28	338.96	7.97	-29.31
C=CCN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=N1	REAL300012012925	0	39	0.0	-38.11	329.07	5.50	-32.61
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012012926	0	38	0.0	-37.03	320.33	5.06	-31.97
CCC(C)C1=CC=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=C1	REAL300012012927	0	47	0.0	-33.52	372.75	8.95	-24.57
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012012928	0	37	0.0	-38.48	338.02	5.67	-32.81
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012012929	0	40	0.0	-34.15	359.13	6.72	-27.43
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012012930	0	42	0.0	-37.74	350.78	4.86	-32.88
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012931	0	48	0.0	-40.50	392.23	8.84	-31.66
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=N1	REAL300012012932	0	40	0.0	-39.75	343.18	6.30	-33.45
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012012933	0	35	0.0	-30.91	326.22	7.08	-23.83
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012012934	0	45	0.0	-31.78	346.60	8.67	-23.11
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012012935	0	37	0.0	-41.47	342.27	7.60	-33.87
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012936	0	42	0.0	-36.82	352.42	8.18	-28.64
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012012937	0	38	0.0	-30.85	335.41	7.29	-23.56
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012012938	0	41	0.0	-42.05	346.45	6.27	-35.78
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012012939	0	44	0.0	-33.73	349.40	8.97	-24.76
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012940	0	53	0.0	-32.79	417.94	7.95	-24.84
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012941	0	43	0.0	-35.92	354.96	5.78	-30.14
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012012943	0	48	0.0	-36.57	381.68	3.36	-33.21
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012944	0	47	0.0	-31.60	382.25	4.99	-26.61
CCCN1N=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1C	REAL300012012945	0	44	0.0	-37.33	356.60	6.13	-31.20
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012012946	0	52	0.0	-27.12	390.63	8.55	-18.57
O=C([O-])C(CC1=NC=CC(=O)N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012012947	0	49	0.0	-32.06	402.93	9.70	-22.36
CC1=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012012948	0	43	0.0	-29.84	347.38	7.34	-22.50
CC1=CC(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012012949	0	44	0.0	-39.00	364.89	7.65	-31.35
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1	REAL300012012950	0	42	0.0	-35.24	353.17	6.38	-28.86
COC1=CC=C(Br)C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])=C1O	REAL300012012951	0	40	0.0	-34.01	349.52	4.00	-30.01
CCCN1N=C(C)C=C1C[NH2+]C(CC1=NC=CC(=O)N1)C(=O)[O-]	REAL300012012952	0	44	0.0	-32.31	352.84	6.13	-26.18
CN1C=C(C[NH2+]C(CC2=NC=CC(=O)N2)C(=O)[O-])C(C2CCC2)=N1	REAL300012012953	0	45	0.0	-36.24	362.15	6.68	-29.56
CC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012012955	0	45	0.0	-40.99	368.62	8.94	-32.05
CC1=CC=C(C)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012012956	0	45	0.0	-35.25	365.37	8.86	-26.39
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012012957	0	44	0.0	-48.38	372.26	7.99	-40.39
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1CC2C=CC1C2	REAL300012012958	0	44	0.0	-43.31	347.54	8.12	-35.19
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1CCCCC1	REAL300012012959	0	45	0.0	-42.84	351.27	7.91	-34.93
CC(C)(C)C1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012012960	0	51	0.0	-42.45	408.62	9.99	-32.46
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O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012013062	0	43	0.0	-41.44	363.64	7.68	-33.76
CC1=CC(F)=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013063	0	42	0.0	-43.01	353.62	8.34	-34.67
CC1=NC(C)=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013064	0	41	0.0	-35.89	355.07	6.05	-29.84
CNC(=O)C1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013065	0	46	0.0	-48.14	387.62	5.91	-42.23
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012013066	0	45	0.0	-39.39	378.53	9.92	-29.47
COC1=C2OC(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])=CC2=CC=C1	REAL300012013067	0	46	0.0	-50.34	388.52	7.44	-42.90
COC1=CC(OC)=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013068	0	47	0.0	-44.49	391.46	6.27	-38.22
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O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012013071	0	46	0.0	-41.46	391.87	7.60	-33.86
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012013072	0	45	0.0	-36.43	385.37	7.49	-28.94
CN1C=NC2=CC(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])=CC=C21	REAL300012013073	0	45	0.0	-44.75	379.53	8.96	-35.79
CCN1N=C(C)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1C	REAL300012013074	0	48	0.0	-40.39	394.05	7.25	-33.14
CC1(C)CC2=CC(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])=CC=C2O1	REAL300012013075	0	50	0.0	-44.95	409.88	8.91	-36.04
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012013076	0	45	0.0	-34.94	389.13	6.10	-28.84
CC1=CC=C(F)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013077	0	42	0.0	-32.52	358.39	8.38	-24.14
CC1=CC=C(F)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013078	0	42	0.0	-35.30	350.36	8.26	-27.04
CC1=NC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013079	0	41	0.0	-41.96	342.36	6.46	-35.50
CC(C)COC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013080	0	52	0.0	-38.67	424.11	9.35	-29.32
CC1(C)CCCC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C1	REAL300012013081	0	51	0.0	-37.52	386.14	8.86	-28.66
CC1=CCCC(C)C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013082	0	49	0.0	-33.71	372.80	8.92	-24.79
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012013083	0	44	0.0	-43.07	367.57	7.98	-35.09
CC(C)COC1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013084	0	52	0.0	-40.56	425.39	9.40	-31.16
CC1=CC(Cl)=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013085	0	42	0.0	-42.32	363.94	8.78	-33.54
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012013086	0	43	0.0	-46.47	368.60	8.99	-37.48
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012013087	0	38	0.0	-39.81	342.81	6.27	-33.54
CN1N=NC2=CC(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])=CC=C21	REAL300012013088	0	44	0.0	-50.03	375.13	6.08	-43.95
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1CCCCCC1	REAL300012013089	0	48	0.0	-44.51	363.33	8.40	-36.11
CC1(C)CC2=CC=CC(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])=C2O1	REAL300012013090	0	50	0.0	-37.76	408.44	8.84	-28.92
COC1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013091	0	42	0.0	-33.61	358.31	4.29	-29.32
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012013092	0	46	0.0	-47.58	390.78	8.87	-38.71
CC(C)N1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012013093	0	45	0.0	-42.79	374.18	6.81	-35.98
CC1=NC2=CC=C(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])C=C2C=C1	REAL300012013094	0	47	0.0	-49.06	395.16	8.63	-40.43
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012013095	0	41	0.0	-33.84	355.05	6.70	-27.14
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012013096	0	42	0.0	-47.66	366.76	8.26	-39.40
COCC1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013097	0	46	0.0	-43.74	387.52	7.39	-36.35
CCCCOC1=CC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013098	0	52	0.0	-37.43	424.08	9.50	-27.93
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012013099	0	43	0.0	-38.59	377.86	6.46	-32.13
CC(C)(C)C1CCC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])CC1	REAL300012013100	0	57	0.0	-36.24	415.19	9.75	-26.49
CC1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C(C)O1	REAL300012013101	0	42	0.0	-43.52	352.93	7.23	-36.29
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012013102	0	50	0.0	-39.11	414.18	9.44	-29.67
CC(C)CC1=NC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013103	0	47	0.0	-37.82	398.84	7.63	-30.19
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012013104	0	42	0.0	-40.16	361.77	6.80	-33.36
COC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013105	0	43	0.0	-39.26	360.65	6.93	-32.33
CC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])O1	REAL300012013106	0	39	0.0	-44.32	333.80	6.57	-37.75
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1	REAL300012013107	0	39	0.0	-42.25	331.13	7.62	-34.63
CC(C)(C)C1=NC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013108	0	47	0.0	-42.40	397.98	7.40	-35.00
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012013109	0	45	0.0	-42.08	375.61	6.79	-35.29
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012013110	0	39	0.0	-42.12	349.19	8.17	-33.95
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012013111	0	46	0.0	-40.63	391.26	8.88	-31.75
CC(C)(C)N1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012013112	0	48	0.0	-41.42	393.87	7.45	-33.97
CC1=CC(C)=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013113	0	45	0.0	-42.26	375.28	8.99	-33.27
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(CO)O1	REAL300012013114	0	40	0.0	-48.00	345.21	3.23	-44.77
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CS1	REAL300012013115	0	36	0.0	-43.27	322.69	6.77	-36.50
CC(=O)NC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013116	0	46	0.0	-46.71	387.51	6.52	-40.19
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1Cl	REAL300012013117	0	39	0.0	-41.50	340.73	8.03	-33.47
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012013118	0	41	0.0	-46.86	360.68	8.33	-38.53
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012013119	0	41	0.0	-45.60	359.37	8.30	-37.30
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012013120	0	45	0.0	-40.41	373.45	9.80	-30.61
CN(C)C1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013121	0	47	0.0	-37.24	382.25	8.02	-29.22
CCN(CC)C1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013122	0	53	0.0	-36.78	426.28	9.94	-26.84
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012013123	0	39	0.0	-38.56	347.88	8.15	-30.41
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012013124	0	39	0.0	-34.73	350.50	8.06	-26.67
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C=C1	REAL300012013125	0	39	0.0	-39.33	337.56	7.70	-31.63
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012013126	0	43	0.0	-40.32	368.98	7.27	-33.05
COC1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1OC	REAL300012013127	0	47	0.0	-37.50	389.93	6.88	-30.62
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012013128	0	39	0.0	-39.70	361.00	8.62	-31.08
COC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1OC	REAL300012013129	0	47	0.0	-45.69	389.89	6.82	-38.87
COC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(OC)=C1	REAL300012013130	0	47	0.0	-39.69	388.75	6.28	-33.41
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012013131	0	42	0.0	-40.12	369.88	8.63	-31.49
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C=C1F	REAL300012013132	0	39	0.0	-43.62	344.44	7.76	-35.86
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012013133	0	39	0.0	-36.36	359.03	8.52	-27.84
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012013134	0	39	0.0	-43.58	363.06	8.59	-34.99
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1CC=CCC1	REAL300012013135	0	43	0.0	-37.65	345.84	7.91	-29.74
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012013136	0	43	0.0	-39.28	370.41	7.21	-32.07
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012013137	0	42	0.0	-49.30	359.75	8.69	-40.61
CCCCOC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013138	0	52	0.0	-38.84	425.50	9.44	-29.40
COC1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013139	0	43	0.0	-40.30	360.61	6.93	-33.37
CC(=CC1=CC=CC=C1)C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013140	0	46	0.0	-38.19	380.09	9.45	-28.74
CC(C)C1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013141	0	48	0.0	-42.40	392.65	9.59	-32.81
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012013142	0	42	0.0	-42.69	369.87	8.61	-34.08
CCOC1=CC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013143	0	46	0.0	-37.96	382.40	7.96	-30.00
CCOC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013144	0	46	0.0	-39.10	382.51	7.86	-31.24
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1F	REAL300012013145	0	39	0.0	-45.37	337.02	7.71	-37.66
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC(F)=C1	REAL300012013146	0	39	0.0	-42.67	338.87	7.73	-34.94
COC1=CC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013147	0	43	0.0	-38.09	359.22	6.99	-31.10
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])SC=C1	REAL300012013148	0	39	0.0	-41.61	339.85	7.30	-34.31
CC1=CC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013149	0	42	0.0	-40.65	345.94	8.24	-32.41
CC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013150	0	42	0.0	-36.86	352.55	8.31	-28.55
N#CC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013151	0	40	0.0	-43.32	352.00	8.03	-35.29
CSC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013152	0	43	0.0	-39.28	371.37	8.65	-30.63
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012013153	0	39	0.0	-31.91	357.58	8.39	-23.52
CC1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013154	0	42	0.0	-41.86	352.54	8.29	-33.57
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CSC=C1	REAL300012013155	0	36	0.0	-37.19	322.44	6.62	-30.57
CCC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013156	0	45	0.0	-36.85	374.04	9.07	-27.78
CC1=CC(C)=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012013157	0	48	0.0	-34.22	381.80	9.24	-24.98
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=C(F)C=CC=C1F	REAL300012013158	0	39	0.0	-36.58	343.09	7.72	-28.86
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012013159	0	39	0.0	-45.86	345.17	7.78	-38.08
CC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013160	0	39	0.0	-34.84	344.57	7.58	-27.26
COC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1O	REAL300012013161	0	44	0.0	-44.19	371.40	4.76	-39.43
CC1=NN(C)C(C)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013162	0	45	0.0	-40.58	372.22	6.38	-34.20
CC1=NN(C)C(Cl)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013163	0	42	0.0	-38.67	368.42	6.22	-32.45
CCC1=NN(C)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013164	0	45	0.0	-41.30	376.37	6.80	-34.50
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012013165	0	42	0.0	-46.35	374.68	6.83	-39.52
CN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012013166	0	51	0.0	-39.04	399.21	7.77	-31.27
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CN=C1	REAL300012013167	0	38	0.0	-43.58	327.29	5.88	-37.70
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CO1	REAL300012013168	0	36	0.0	-35.43	311.89	5.76	-29.67
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=NC=C1	REAL300012013169	0	38	0.0	-40.55	327.29	5.90	-34.65
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)O1	REAL300012013170	0	36	0.0	-46.93	330.28	6.41	-40.52
C#CCOC1=CC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013171	0	45	0.0	-38.34	386.86	8.46	-29.88
CC1=NOC(C)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013172	0	41	0.0	-42.68	349.56	6.45	-36.23
CC1=NC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CS1	REAL300012013173	0	38	0.0	-45.90	339.03	5.37	-40.53
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012013174	0	45	0.0	-36.58	385.58	7.42	-29.16
CN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012013175	0	39	0.0	-44.15	335.27	5.47	-38.68
COC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1C	REAL300012013176	0	46	0.0	-43.82	382.04	7.71	-36.11
CC(C)(C)C1=NNC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013177	0	48	0.0	-39.46	378.94	6.55	-32.91
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NC=CN1	REAL300012013178	0	36	0.0	-48.74	311.89	4.39	-44.35
COC1=CC=CC(OC)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013179	0	47	0.0	-35.32	388.75	6.40	-28.92
CN1C=CN=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013180	0	39	0.0	-32.54	330.61	5.98	-26.56
CC(C)(C)C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013181	0	41	0.0	-35.36	327.00	6.72	-28.64
COC1=CC=C(F)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013182	0	43	0.0	-34.19	365.15	6.97	-27.22
CSC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013183	0	40	0.0	-43.88	365.98	7.99	-35.89
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012013184	0	42	0.0	-42.69	357.16	6.28	-36.41
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN=CN=C1	REAL300012013185	0	37	0.0	-40.85	320.78	5.64	-35.21
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=C(Cl)C=CS1	REAL300012013186	0	36	0.0	-37.98	337.97	7.20	-30.78
COC1=CC=C(F)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013187	0	43	0.0	-37.17	365.68	7.06	-30.11
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NNC=C1	REAL300012013188	0	36	0.0	-34.93	311.01	4.03	-30.90
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=NN1	REAL300012013188	1	36	0.0	-45.12	312.36	4.04	-41.08
NC(=O)C1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013189	0	43	0.0	-47.94	365.69	4.41	-43.53
COC1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CC=C1F	REAL300012013190	0	43	0.0	-46.75	366.87	6.98	-39.77
COC1=CC=C(Cl)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013191	0	43	0.0	-36.61	376.01	7.51	-29.10
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN=CS1	REAL300012013192	0	35	0.0	-37.91	315.90	4.87	-33.04
CN1C=NC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013193	0	39	0.0	-42.52	331.29	6.77	-35.75
COC(=O)C1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CN1C	REAL300012013194	0	46	0.0	-38.36	390.51	7.82	-30.54
CC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1Cl	REAL300012013195	0	42	0.0	-45.16	366.60	8.72	-36.44
COC1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CC=C1C	REAL300012013196	0	46	0.0	-44.24	382.04	7.71	-36.53
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CSC=N1	REAL300012013197	0	35	0.0	-33.00	315.76	4.64	-28.36
CC1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1F	REAL300012013198	0	42	0.0	-37.51	357.02	8.29	-29.22
N#CC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012013199	0	40	0.0	-43.71	358.82	8.07	-35.64
CC1=NNC(C)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013200	0	42	0.0	-39.86	350.82	5.14	-34.72
CC1=NNC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013201	0	39	0.0	-40.87	329.91	4.69	-36.18
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=NN1	REAL300012013201	1	39	0.0	-46.16	330.20	4.68	-41.48
CN1N=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013202	0	39	0.0	-42.74	331.76	5.19	-37.55
C#CCCOC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013203	0	48	0.0	-39.31	409.79	9.18	-30.13
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012013204	0	42	0.0	-34.91	358.08	8.13	-26.78
CC1=NN(C)C2=NC=C(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])C=C12	REAL300012013205	0	47	0.0	-51.20	398.73	7.39	-43.81
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012013206	0	42	0.0	-32.25	367.60	6.86	-25.39
CCC1=NC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CS1	REAL300012013207	0	41	0.0	-45.66	360.51	6.13	-39.53
CC1=NN(C)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013208	0	42	0.0	-40.99	352.91	6.00	-34.99
CCN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012013209	0	42	0.0	-43.21	355.49	6.29	-36.92
CN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])N=N1	REAL300012013210	0	38	0.0	-35.87	327.95	4.14	-31.73
NC(=O)C1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013211	0	43	0.0	-45.60	367.01	4.44	-41.16
CN1C=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013212	0	39	0.0	-46.50	335.33	5.37	-41.13
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012013213	0	42	0.0	-35.11	367.69	7.09	-28.02
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1CCCCCCC1	REAL300012013214	0	51	0.0	-36.65	375.14	8.85	-27.80
CC1=CSC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013215	0	38	0.0	-39.87	337.73	5.37	-34.50
COC1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1F	REAL300012013216	0	43	0.0	-38.60	366.02	6.95	-31.65
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012013217	0	46	0.0	-42.45	376.66	9.53	-32.92
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=COC=N1	REAL300012013218	0	35	0.0	-34.38	306.51	2.23	-32.15
CC(C)COC1=CC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013219	0	52	0.0	-37.18	422.68	9.41	-27.77
CCN1N=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013220	0	42	0.0	-41.11	348.85	6.14	-34.97
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012013221	0	45	0.0	-39.39	379.67	7.38	-32.01
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012013222	0	44	0.0	-46.26	372.15	8.10	-38.16
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])SC=N1	REAL300012013223	0	38	0.0	-42.97	336.38	5.42	-37.55
COC1=CC(F)=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013224	0	43	0.0	-40.02	368.38	7.04	-32.98
CC(C)(C)C1=NC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012013225	0	49	0.0	-41.11	404.10	7.63	-33.48
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=CS1	REAL300012013226	0	39	0.0	-35.22	337.83	7.34	-27.88
CS(=O)C1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013227	0	44	0.0	-53.16	383.36	6.23	-46.93
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012013228	0	49	0.0	-41.84	393.84	10.11	-31.73
N#CC1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013229	0	39	0.0	-36.41	347.09	6.09	-30.32
COC(=O)C1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CN1	REAL300012013230	0	43	0.0	-44.49	372.80	6.06	-38.43
COCC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])O1	REAL300012013231	0	43	0.0	-47.03	367.47	5.63	-41.40
CC1=NC(F)=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013232	0	41	0.0	-41.85	343.84	6.25	-35.60
COC1=CC(C)=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013233	0	46	0.0	-37.58	380.69	7.66	-29.92
CC1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CS1	REAL300012013234	0	39	0.0	-42.05	344.33	7.41	-34.64
CC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])N=N1	REAL300012013235	0	40	0.0	-34.52	342.66	5.34	-29.18
CN1N=NC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013236	0	38	0.0	-45.85	327.19	4.03	-41.82
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC(Cl)=CS1	REAL300012013237	0	36	0.0	-37.46	339.57	7.29	-30.17
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012013238	0	52	0.0	-36.60	415.32	10.84	-25.76
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])N(C)N=C1	REAL300012013239	0	42	0.0	-43.30	352.07	5.80	-37.50
CC1=CC(Cl)=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013240	0	42	0.0	-35.96	369.28	8.80	-27.16
COCC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013241	0	46	0.0	-38.73	386.21	7.36	-31.37
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012013242	0	46	0.0	-37.75	389.98	9.32	-28.43
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012013243	0	46	0.0	-37.14	380.37	9.74	-27.40
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NC=C(Cl)S1	REAL300012013244	0	35	0.0	-39.54	332.99	5.39	-34.15
C=CN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012013245	0	40	0.0	-39.15	345.70	6.64	-32.51
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012013246	0	49	0.0	-41.28	395.41	8.07	-33.21
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012013247	0	42	0.0	-42.27	365.31	8.56	-33.71
COC1=CC(C)=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012013248	0	48	0.0	-36.82	388.21	5.26	-31.56
COC1=CC=CC(Cl)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013249	0	43	0.0	-38.40	370.60	7.29	-31.11
CCC1=CC(OC)=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013250	0	49	0.0	-36.40	390.56	8.09	-28.31
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=NN1C	REAL300012013251	0	42	0.0	-46.43	349.86	5.85	-40.58
CCCN1N=C(C)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1C	REAL300012013252	0	51	0.0	-40.17	415.54	8.00	-32.17
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012013253	0	44	0.0	-41.21	373.09	7.29	-33.92
COCCN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012013254	0	46	0.0	-38.77	389.13	5.35	-33.42
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012013255	0	49	0.0	-36.86	396.91	10.22	-26.64
CCOC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1F	REAL300012013256	0	46	0.0	-44.60	388.72	7.92	-36.68
N#CC1=CSC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013257	0	37	0.0	-43.27	342.40	7.16	-36.11
COC1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CC=C1C#N	REAL300012013258	0	44	0.0	-51.61	382.17	7.37	-44.24
CC1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CC=C1C#N	REAL300012013259	0	43	0.0	-48.87	371.15	8.51	-40.36
CC1=CN=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013260	0	38	0.0	-39.36	337.84	5.57	-33.79
CC(C)CN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012013261	0	48	0.0	-38.07	398.09	7.88	-30.19
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012013262	0	46	0.0	-39.86	375.45	9.66	-30.20
CCC1=CN=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013263	0	41	0.0	-39.05	359.33	6.35	-32.70
CC1=NN(C(C)C)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013264	0	48	0.0	-41.88	392.95	7.37	-34.51
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012013265	0	42	0.0	-37.28	369.06	7.26	-30.02
CC(C)C1=NC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013266	0	44	0.0	-43.14	381.43	6.97	-36.17
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012013267	0	42	0.0	-40.52	367.30	6.63	-33.89
CN(C)C(=O)C1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])N1	REAL300012013268	0	47	0.0	-53.06	389.57	5.84	-47.22
NC(=O)C1=CSC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013269	0	40	0.0	-46.90	357.48	3.50	-43.40
CCC1=NN(C)C(CC)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013270	0	51	0.0	-39.23	415.20	7.83	-31.40
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012013271	0	45	0.0	-36.92	385.70	7.74	-29.18
CCC1=CC=CC(F)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013272	0	45	0.0	-31.47	372.57	8.87	-22.60
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012013273	0	39	0.0	-47.60	346.62	5.47	-42.13
CC(C)C1=CN=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013274	0	44	0.0	-37.59	378.41	6.89	-30.70
CC(C)(C)C1=CN=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013275	0	47	0.0	-38.72	397.48	7.43	-31.29
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012013276	0	42	0.0	-36.09	364.55	7.00	-29.09
COCCCN1N=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013277	0	49	0.0	-41.40	405.34	6.03	-35.37
CC1=CC(F)=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(Cl)=C1	REAL300012013278	0	42	0.0	-34.11	371.88	8.73	-25.38
CSCC1=CN=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013279	0	42	0.0	-40.54	382.56	6.79	-33.75
CCN1N=C(C)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013280	0	44	0.0	-41.97	370.26	5.22	-36.75
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012013281	0	46	0.0	-42.27	381.68	9.76	-32.51
CC1=NN(C)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013282	0	42	0.0	-40.39	353.70	5.78	-34.61
N#CC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1F	REAL300012013283	0	40	0.0	-49.77	357.90	8.06	-41.71
CC1=CC(F)=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012013284	0	42	0.0	-35.09	363.18	8.35	-26.74
CC(C)CN1N=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013285	0	48	0.0	-41.37	394.21	7.62	-33.75
COC(=O)C1=C(C)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CN1	REAL300012013286	0	46	0.0	-47.03	390.04	6.69	-40.34
CC(C)(C#N)C1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013287	0	49	0.0	-46.99	406.89	9.54	-37.45
CC(C)C1=CC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013288	0	48	0.0	-39.34	384.95	9.40	-29.94
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NN2CCCCC2=C1	REAL300012013289	0	46	0.0	-34.88	377.03	7.00	-27.88
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012013290	0	45	0.0	-38.89	381.46	7.27	-31.62
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012013291	0	41	0.0	-49.38	355.07	6.46	-42.92
CC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(Cl)=C1	REAL300012013292	0	42	0.0	-37.37	363.03	8.67	-28.70
CCC1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013293	0	45	0.0	-42.24	375.35	9.10	-33.14
COC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012013294	0	43	0.0	-43.06	366.20	6.94	-36.12
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012013295	0	46	0.0	-35.50	373.36	9.50	-26.00
COC1=CC=CC(F)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013296	0	43	0.0	-42.32	365.90	7.05	-35.27
CCCOC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012013297	0	52	0.0	-41.02	417.89	9.21	-31.81
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012013298	0	41	0.0	-37.65	363.27	7.37	-30.28
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=C2CCCN2N=C1	REAL300012013299	0	43	0.0	-47.83	357.62	6.22	-41.61
CCC1=C2OC(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])=CC2=CC=C1	REAL300012013300	0	48	0.0	-46.94	403.24	9.61	-37.33
C=CCCN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])N=N1	REAL300012013301	0	45	0.0	-35.83	385.00	6.33	-29.50
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=NN1CC1CC1	REAL300012013302	0	46	0.0	-43.72	385.63	7.67	-36.05
CCOC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012013303	0	49	0.0	-41.25	396.39	8.41	-32.84
COC1=NC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013304	0	42	0.0	-38.76	358.24	4.44	-34.32
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012013305	0	52	0.0	-42.08	416.69	10.87	-31.21
COCC1=CSC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013306	0	43	0.0	-37.07	377.99	6.50	-30.57
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012013307	0	45	0.0	-34.99	374.65	6.14	-28.85
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012013308	0	39	0.0	-49.02	354.38	7.02	-42.00
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012013309	0	39	0.0	-33.90	356.36	8.11	-25.79
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012013310	0	39	0.0	-52.73	349.60	7.84	-44.89
CCCN1N=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013311	0	45	0.0	-40.80	370.35	6.90	-33.90
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013312	0	42	0.0	-44.71	374.45	6.23	-38.48
CCCC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013313	0	45	0.0	-42.21	385.36	9.05	-33.16
CC(C)C1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013314	0	48	0.0	-42.06	392.68	9.58	-32.48
CN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(Cl)=N1	REAL300012013315	0	39	0.0	-34.73	351.95	5.89	-28.84
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012013316	0	52	0.0	-37.33	423.48	11.18	-26.15
COC1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CC=C1Cl	REAL300012013317	0	43	0.0	-45.91	378.00	7.51	-38.40
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012013318	0	49	0.0	-37.07	399.37	8.04	-29.03
CC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012013319	0	42	0.0	-41.61	359.44	8.37	-33.24
CC(=O)NC1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013320	0	46	0.0	-51.42	388.57	6.56	-44.86
CN1N=CC2=CC(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])=CN=C21	REAL300012013321	0	44	0.0	-48.32	375.45	6.75	-41.57
CN1N=C2CCCCC2=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013322	0	49	0.0	-37.74	394.41	7.59	-30.15
CC1=C(C)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CS1	REAL300012013323	0	42	0.0	-40.64	357.72	7.95	-32.69
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012013324	0	38	0.0	-48.68	350.06	6.35	-42.33
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012013325	0	45	0.0	-43.00	378.99	9.83	-33.17
CCOC1=CC(F)=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013326	0	46	0.0	-38.82	388.91	7.92	-30.90
CC(C)(C)OC1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013327	0	52	0.0	-41.43	412.86	8.80	-32.63
CC1=C(Cl)C=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013328	0	42	0.0	-40.04	360.00	8.67	-31.37
COC1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C(F)C=C1C	REAL300012013329	0	46	0.0	-44.58	385.25	7.70	-36.88
CC(C)(C)C1=CSC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013330	0	47	0.0	-38.40	398.00	7.37	-31.03
COCCC1=NC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013331	0	45	0.0	-38.35	392.97	5.41	-32.94
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012013332	1	40	0.0	-41.40	353.41	4.97	-36.43
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012013333	0	47	0.0	-41.20	377.91	7.59	-33.61
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012013334	0	41	0.0	-54.85	358.90	8.18	-46.67
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012013335	0	44	0.0	-39.77	363.16	7.77	-32.00
CCCOC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1C	REAL300012013336	0	52	0.0	-42.99	424.07	9.39	-33.60
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012013337	0	43	0.0	-46.11	367.19	6.04	-40.07
CCOC1=CC=CC(F)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013338	0	46	0.0	-35.99	386.48	7.93	-28.06
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012013339	0	44	0.0	-46.98	364.89	8.62	-38.36
CC1=COC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013340	0	39	0.0	-44.29	335.07	6.48	-37.81
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012013341	0	38	0.0	-47.15	342.87	6.28	-40.87
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013342	0	46	0.0	-39.53	381.11	8.95	-30.58
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN(CCF)N=C1	REAL300012013344	0	42	0.0	-43.81	363.36	6.48	-37.33
CCCC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013346	0	48	0.0	-36.73	395.54	9.85	-26.88
CC1=C2C=C(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])C=NC2=NN1	REAL300012013347	0	44	0.0	-45.75	375.53	6.19	-39.56
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NC=CS1	REAL300012013348	0	35	0.0	-39.77	315.93	4.77	-35.00
CN1N=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C2=CC=CC=C21	REAL300012013349	0	45	0.0	-45.31	381.09	7.54	-37.77
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012013350	0	42	0.0	-46.06	358.03	6.24	-39.82
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012013350	1	42	0.0	-44.88	358.23	6.25	-38.63
CCC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013351	0	42	0.0	-42.69	364.73	8.30	-34.39
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012013352	0	44	0.0	-40.88	368.86	7.92	-32.96
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])N2C=CC=CC2=N1	REAL300012013353	0	45	0.0	-38.58	377.62	8.60	-29.98
CCC1=NC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])S1	REAL300012013354	0	41	0.0	-42.95	359.33	6.33	-36.62
COC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])SC=C1	REAL300012013355	0	40	0.0	-39.44	352.59	6.06	-33.38
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012013356	0	45	0.0	-48.31	387.33	5.85	-42.46
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CSC=C1Cl	REAL300012013357	0	36	0.0	-36.64	337.11	7.07	-29.57
CCCC(C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012013358	0	51	0.0	-39.62	409.73	10.31	-29.31
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1CC2CCC1C2	REAL300012013359	0	46	0.0	-43.64	357.11	8.30	-35.34
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(F)N=C1	REAL300012013360	0	38	0.0	-40.70	332.36	5.79	-34.91
CC1(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])CCC1	REAL300012013361	0	42	0.0	-42.54	335.41	7.28	-35.26
CC1(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])CC1	REAL300012013362	0	39	0.0	-42.43	319.58	6.97	-35.46
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1(C(F)F)CC1	REAL300012013363	0	39	0.0	-33.18	333.65	7.05	-26.13
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])NN=C1	REAL300012013364	0	39	0.0	-43.86	330.20	4.66	-39.20
CC1=CNN=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013364	1	39	0.0	-33.89	331.13	4.63	-29.26
CC1=CN=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])N1C	REAL300012013365	0	42	0.0	-32.24	350.40	6.45	-25.79
CC(C)C1CCC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])CC1	REAL300012013366	0	54	0.0	-35.52	400.97	9.42	-26.10
CCC1=NOC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013367	0	41	0.0	-44.13	349.83	6.42	-37.71
CN1N=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1Cl	REAL300012013368	0	39	0.0	-38.52	351.09	5.81	-32.71
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012013369	0	41	0.0	-38.40	355.08	5.15	-33.25
CC1=CN=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013370	0	41	0.0	-37.56	337.73	6.36	-31.20
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012013371	0	46	0.0	-44.37	380.30	9.74	-34.63
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012013372	0	45	0.0	-41.33	376.66	8.36	-32.97
CC(C)(C)N1N=NC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013373	1	46	0.0	-39.41	384.50	5.44	-33.97
CC(C)N1C=CN=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013374	0	45	0.0	-31.39	370.35	7.40	-23.99
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013375	0	42	0.0	-31.34	367.82	6.19	-25.15
CN1N=CC(C2CC2)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013376	0	46	0.0	-36.06	380.89	7.24	-28.82
CN1N=CC(C2CCC2)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013377	0	49	0.0	-42.98	397.31	7.73	-35.25
CC1=NC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])N1C	REAL300012013378	0	42	0.0	-42.27	353.37	6.65	-35.62
CC1=C2C=C(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])NC2=CC=C1	REAL300012013379	0	46	0.0	-39.29	385.30	8.26	-31.03
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012013380	0	45	0.0	-36.28	383.71	6.81	-29.47
CC1=CC=C2C=C(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])NC2=C1	REAL300012013381	0	46	0.0	-39.10	385.72	8.27	-30.83
CC1=NC=CN=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013382	0	40	0.0	-39.34	339.24	4.46	-34.88
CCOC1=CN=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013383	0	45	0.0	-44.66	378.75	6.07	-38.59
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=NC=C1Cl	REAL300012013384	0	38	0.0	-43.65	336.62	6.27	-37.38
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012013385	0	42	0.0	-48.85	358.58	6.36	-42.49
CCC(F)(F)C(C)(C)C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013386	0	47	0.0	-48.02	370.66	8.00	-40.02
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=NC(F)=C1	REAL300012013387	0	38	0.0	-50.06	332.45	5.79	-44.27
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012013388	0	43	0.0	-38.75	362.51	7.66	-31.09
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012013389	0	42	0.0	-51.03	363.75	5.10	-45.93
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012013390	0	41	0.0	-46.91	360.56	6.70	-40.21
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013391	0	48	0.0	-39.25	404.29	8.10	-31.15
COC1=CN=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1C	REAL300012013392	0	45	0.0	-38.48	367.85	5.75	-32.73
CC1=CC(C)=C(C=CC[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012013393	0	52	0.0	-39.48	422.50	10.80	-28.68
CCCN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])N=N1	REAL300012013394	0	44	0.0	-53.24	372.15	5.76	-47.48
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013395	0	47	0.0	-35.61	390.55	7.77	-27.84
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012013396	0	43	0.0	-47.39	362.51	8.27	-39.12
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012013397	0	44	0.0	-47.12	378.56	8.06	-39.06
CC1=CC(C)=C(C=CC[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1C	REAL300012013398	0	52	0.0	-39.32	418.03	10.65	-28.67
CC1=NSC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013399	0	38	0.0	-46.85	337.70	6.04	-40.81
CCN1N=CN=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013400	0	41	0.0	-33.85	345.81	6.84	-27.01
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012013401	0	42	0.0	-46.21	361.18	4.96	-41.25
CCC1=CNC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013402	0	42	0.0	-48.73	355.24	5.73	-43.00
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012013403	0	48	0.0	-31.84	385.42	8.17	-23.67
CC1=NN(C)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1Cl	REAL300012013404	0	42	0.0	-32.80	369.27	6.25	-26.55
CN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C2CCCC2)=N1	REAL300012013405	0	52	0.0	-40.73	419.96	8.56	-32.17
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012013406	0	47	0.0	-43.36	384.85	8.25	-35.11
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013407	0	49	0.0	-43.96	403.31	7.47	-36.49
CCC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(Cl)=NN1	REAL300012013408	0	42	0.0	-36.28	363.54	5.79	-30.49
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012013409	0	43	0.0	-37.27	377.50	6.57	-30.70
CCC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C)=NO1	REAL300012013410	0	44	0.0	-36.61	369.83	7.20	-29.41
CCN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])N=N1	REAL300012013411	0	41	0.0	-35.56	349.37	4.98	-30.58
CC1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C2CCCCC2=N1	REAL300012013412	0	51	0.0	-36.91	401.33	8.74	-28.17
CCOC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])O1	REAL300012013413	0	43	0.0	-45.36	366.75	7.13	-38.23
CCN1C=NC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013414	0	42	0.0	-33.55	355.02	7.80	-25.75
CC1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CN=C1F	REAL300012013415	0	41	0.0	-46.36	354.10	6.45	-39.91
CC1=CC(F)=NC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013416	0	41	0.0	-38.19	344.05	6.30	-31.89
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012013417	0	42	0.0	-46.40	370.57	8.59	-37.81
COC(=O)C1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1C	REAL300012013418	0	48	0.0	-43.70	403.27	8.87	-34.83
COC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012013419	0	46	0.0	-42.18	376.69	7.56	-34.62
CC1CC2=CC(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])=CC=C2O1	REAL300012013420	0	47	0.0	-39.74	389.43	8.28	-31.46
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012013421	0	42	0.0	-52.58	362.89	5.13	-47.45
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012013422	0	44	0.0	-39.09	368.21	7.49	-31.60
CSCC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013423	0	46	0.0	-38.56	397.27	9.52	-29.04
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012013424	0	49	0.0	-43.16	404.70	8.42	-34.74
CN1N=C2CCOCC2=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013425	0	47	0.0	-44.93	386.43	5.22	-39.71
CN1N=C2CCCC2=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013426	0	46	0.0	-44.06	376.98	7.06	-37.00
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=NN1C1CCC1	REAL300012013427	0	46	0.0	-41.83	381.24	7.46	-34.37
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012013428	0	46	0.0	-47.04	380.63	7.45	-39.59
COC1=CC=C(C)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013429	0	46	0.0	-34.42	371.76	7.41	-27.01
CN1C=NC2=CC=CC(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])=C21	REAL300012013430	0	45	0.0	-41.32	367.92	8.79	-32.53
CCC1=CC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013431	0	45	0.0	-40.02	364.62	8.91	-31.11
CN(C)C(=O)C1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013432	0	49	0.0	-48.69	401.97	7.47	-41.22
CC1=CC(F)=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013433	0	42	0.0	-36.52	358.96	8.37	-28.15
CC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C)=C1C	REAL300012013434	0	48	0.0	-34.54	376.97	9.23	-25.31
CCNC(=O)C1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013435	0	49	0.0	-47.55	409.11	6.76	-40.79
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013436	0	51	0.0	-32.25	378.21	9.90	-22.35
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN=C2CCCCCN12	REAL300012013437	0	49	0.0	-40.77	387.16	8.02	-32.75
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CON=C1C1CC1	REAL300012013438	0	42	0.0	-41.49	359.21	7.24	-34.25
CCN1CCC2=CC(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])=CC=C21	REAL300012013439	0	51	0.0	-37.80	403.55	7.76	-30.04
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=NN1C(C)C	REAL300012013440	0	48	0.0	-35.71	392.25	7.44	-28.27
CC1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CC=C1C1CC1	REAL300012013441	0	49	0.0	-37.43	399.49	10.29	-27.14
CCOC1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CC=N1	REAL300012013442	0	45	0.0	-47.94	381.41	5.30	-42.64
CC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1C1CC1	REAL300012013443	0	49	0.0	-36.27	398.13	10.25	-26.02
COC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])O1	REAL300012013444	0	40	0.0	-45.62	344.90	6.19	-39.43
COCCOC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])O1	REAL300012013445	0	47	0.0	-47.22	400.38	6.37	-40.85
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013446	0	51	0.0	-41.44	415.88	7.98	-33.46
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NN(CCF)C=C1	REAL300012013447	0	42	0.0	-46.68	362.14	6.34	-40.34
CCN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012013448	0	45	0.0	-40.79	374.45	6.87	-33.92
CN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C2CC2)=N1	REAL300012013449	0	46	0.0	-41.56	387.10	7.65	-33.91
CN1N=C(C2CC2)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013450	0	46	0.0	-40.50	383.47	7.28	-33.22
CC(C)C1=NOC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013451	0	44	0.0	-41.81	370.70	6.95	-34.86
COC1=NC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1F	REAL300012013452	0	42	0.0	-39.61	363.81	4.37	-35.24
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN2C=CN=C2S1	REAL300012013453	0	39	0.0	-40.50	348.53	7.59	-32.91
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012013454	0	51	0.0	-42.97	413.83	9.17	-33.80
CC1=C(C)SC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013455	0	41	0.0	-39.52	356.62	6.08	-33.44
CC1OC2=CC=C(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])C=C2C1C	REAL300012013456	0	50	0.0	-44.99	405.86	8.77	-36.22
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CSN=C1	REAL300012013457	0	35	0.0	-39.11	315.61	5.27	-33.84
CC(C)CC1=CC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013458	0	51	0.0	-39.98	402.24	10.07	-29.91
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])NN=C1C(F)(F)F	REAL300012013459	0	42	0.0	-40.59	367.97	5.55	-35.04
CC(C)CN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])N=N1	REAL300012013460	0	47	0.0	-35.02	390.66	6.49	-28.53
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012013461	0	42	0.0	-38.56	368.30	6.88	-31.68
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012013462	0	39	0.0	-42.61	352.21	4.96	-37.65
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012013463	0	44	0.0	-42.38	368.32	7.52	-34.86
CN1C=C(Cl)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013464	0	39	0.0	-42.38	351.88	5.87	-36.51
CSC1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013465	0	43	0.0	-40.44	371.32	8.64	-31.80
CC(C)C1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])N(C)N=C1	REAL300012013466	0	48	0.0	-42.90	391.68	7.06	-35.84
CC1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CC(C)=N1	REAL300012013467	0	44	0.0	-39.67	369.25	7.08	-32.59
CCCN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012013468	0	48	0.0	-41.29	397.92	7.68	-33.61
CCN1C=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013469	0	42	0.0	-46.45	356.87	6.23	-40.22
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012013470	0	41	0.0	-40.81	355.05	6.39	-34.42
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012013472	0	46	0.0	-42.89	396.34	9.87	-33.02
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012013473	0	47	0.0	-38.44	391.69	8.60	-29.84
CNC(=O)C1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013474	0	46	0.0	-44.92	387.62	5.89	-39.03
CCNC(=O)C1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013476	0	49	0.0	-44.88	410.43	6.78	-38.10
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012013477	0	45	0.0	-46.00	385.84	8.84	-37.16
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012013478	0	46	0.0	-44.20	379.58	6.57	-37.63
CCCN1C=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013479	0	45	0.0	-45.95	377.05	6.96	-38.99
CC(C)N1C=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013480	0	45	0.0	-34.68	375.52	6.77	-27.91
CC(C)(C)C1=CN=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013481	0	50	0.0	-42.49	402.54	8.12	-34.37
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012013482	0	42	0.0	-51.53	373.43	6.69	-44.84
CN1C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=NC2=C1CCCC2	REAL300012013483	0	49	0.0	-44.71	393.86	8.30	-36.41
COC1=NC(Cl)=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013484	0	42	0.0	-38.91	373.79	4.81	-34.10
CN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012013485	0	42	0.0	-47.62	364.59	6.33	-41.29
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012013486	0	42	0.0	-45.46	368.29	8.54	-36.92
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012013487	0	47	0.0	-38.16	375.36	7.57	-30.59
COC1=NN(C)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013488	0	43	0.0	-45.34	366.86	3.37	-41.97
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012013489	0	43	0.0	-41.05	370.56	4.97	-36.08
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012013490	0	46	0.0	-35.33	376.70	8.50	-26.83
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012013491	0	41	0.0	-47.84	367.09	8.41	-39.43
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012013492	0	52	0.0	-41.75	417.09	8.72	-33.03
COC1=CC(C)=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012013494	0	45	0.0	-38.02	371.61	4.90	-33.12
COC1=CC(C)=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1O	REAL300012013495	0	47	0.0	-46.91	387.47	5.39	-41.52
COC1=NC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CC=C1C	REAL300012013496	0	45	0.0	-34.01	379.72	5.05	-28.96
CCCN1C=NC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013497	0	45	0.0	-40.44	370.73	8.57	-31.87
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CNC1=O	REAL300012013498	0	39	0.0	-56.12	334.76	4.54	-51.58
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012013499	0	46	0.0	-48.81	388.26	7.57	-41.24
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012013500	0	52	0.0	-42.61	423.54	11.18	-31.43
CCC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=NN1CC	REAL300012013501	0	48	0.0	-35.75	391.83	7.60	-28.15
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012013502	0	39	0.0	-34.75	357.95	8.17	-26.58
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012013503	0	43	0.0	-44.20	362.74	6.08	-38.12
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012013504	0	43	0.0	-44.33	374.85	7.18	-37.15
COC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=CS1	REAL300012013505	0	40	0.0	-37.42	352.69	6.06	-31.36
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012013506	0	42	0.0	-30.13	369.54	7.38	-22.75
CC(F)(F)C1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013507	0	45	0.0	-41.70	384.35	9.14	-32.56
CN1C=C(C2=NNC=C2C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012013508	0	46	0.0	-42.05	392.80	5.35	-36.70
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012013509	0	39	0.0	-47.15	348.39	7.80	-39.35
CC(C)(C)C1=NNC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013510	0	48	0.0	-40.23	394.42	6.50	-33.73
C=CCC1=CC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013511	0	46	0.0	-40.66	379.59	9.53	-31.13
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC=CC1=CC=CC=C1	REAL300012013512	0	43	0.0	-44.35	363.52	8.95	-35.40
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN=NN1C1CC1	REAL300012013513	0	42	0.0	-44.16	357.62	5.64	-38.52
COCC1=CC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013514	0	46	0.0	-41.27	378.90	7.50	-33.77
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012013515	0	47	0.0	-38.54	384.82	7.72	-30.82
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CN(CCO)N=C1	REAL300012013516	0	43	0.0	-45.16	366.91	2.93	-42.23
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012013517	0	45	0.0	-42.45	385.76	5.79	-36.66
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC=CC1=CC=NC=C1	REAL300012013518	0	42	0.0	-42.49	357.21	7.16	-35.33
CN1C=CC(C2=NNC=C2C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013519	0	46	0.0	-42.11	386.23	5.87	-36.24
C=CC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013520	0	43	0.0	-37.49	362.27	8.72	-28.77
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013521	0	45	0.0	-48.08	371.72	9.15	-38.93
CCN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C2CC2)=N1	REAL300012013522	0	49	0.0	-42.21	407.55	8.47	-33.74
CC(C)(C)C1=NOC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013523	0	47	0.0	-50.24	380.10	7.42	-42.82
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012013524	0	44	0.0	-47.50	373.46	8.13	-39.37
CC1=CC2=CC=CC(C[NH2+]C(CCC3=CNN=C3C(F)(F)F)C(=O)[O-])=C2O1	REAL300012013525	0	45	0.0	-42.66	381.69	8.82	-33.84
COC1=CSC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1OC	REAL300012013526	0	44	0.0	-38.42	383.91	5.67	-32.75
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CON=C1C1CCC1	REAL300012013527	0	45	0.0	-41.60	377.17	7.75	-33.85
CS(=O)(=O)C1=COC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013528	0	42	0.0	-54.92	374.08	3.17	-51.75
CCN1C=C(Cl)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013529	0	42	0.0	-35.19	372.11	6.69	-28.50
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012013530	0	39	0.0	-50.33	357.74	8.21	-42.12
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012013531	0	42	0.0	-42.60	364.64	8.52	-34.08
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012013532	0	45	0.0	-42.34	381.67	9.89	-32.45
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CSC(Cl)=C1	REAL300012013533	0	36	0.0	-41.75	338.17	7.18	-34.57
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=NN1C1CCC1	REAL300012013534	0	49	0.0	-46.36	398.85	8.10	-38.26
CC1=NN(C2CCCC2)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013535	0	52	0.0	-39.59	419.24	8.71	-30.88
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=NN1CC(F)F	REAL300012013536	0	42	0.0	-45.33	363.36	6.47	-38.86
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012013537	0	38	0.0	-40.64	342.98	6.13	-34.51
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013538	0	46	0.0	-41.28	384.11	5.68	-35.60
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012013539	0	46	0.0	-33.79	379.33	7.31	-26.48
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012013540	0	42	0.0	-50.75	368.72	6.55	-44.20
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012013541	0	43	0.0	-49.38	377.06	7.07	-42.31
CC1=CN(C)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013542	0	42	0.0	-44.72	352.72	6.59	-38.13
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012013543	0	49	0.0	-44.88	396.93	7.98	-36.90
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012013544	0	38	0.0	-32.36	355.21	6.65	-25.71
CC1=NSC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013545	0	38	0.0	-39.49	330.96	5.84	-33.65
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013546	0	52	0.0	-39.40	415.79	8.64	-30.76
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012013547	0	42	0.0	-45.50	354.22	8.58	-36.92
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012013548	0	42	0.0	-47.27	358.72	6.38	-40.89
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012013549	0	39	0.0	-50.81	358.17	8.23	-42.58
CC1=C(F)C=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013550	0	42	0.0	-40.55	351.25	8.27	-32.28
COC1=C(C#N)C=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013551	0	44	0.0	-41.38	380.89	7.43	-33.95
CC1=NC(Cl)=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013552	0	41	0.0	-40.75	354.30	6.73	-34.02
COC1=CC(Cl)=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013553	0	43	0.0	-38.45	377.38	7.44	-31.01
COC1=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=CC(F)=C1F	REAL300012013554	0	43	0.0	-45.93	373.16	7.06	-38.87
COC1=CC(C)=NC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013555	0	45	0.0	-38.44	376.35	5.83	-32.61
CC(C)N1C=NC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013556	0	45	0.0	-47.55	375.92	8.22	-39.33
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013557	0	46	0.0	-46.50	393.39	5.28	-41.22
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C2CC2)=NO1	REAL300012013558	0	45	0.0	-45.12	380.40	8.02	-37.10
CC(C)OC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])O1	REAL300012013559	0	46	0.0	-45.46	388.38	7.89	-37.57
N#CC1=CC(F)=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013560	0	40	0.0	-44.90	359.73	8.12	-36.78
COC1=CC=CC=C1C=CC[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013561	0	47	0.0	-42.62	391.84	8.32	-34.30
CC1=NN(C2CCC2)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013562	0	49	0.0	-42.52	400.21	8.03	-34.49
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=NN1CC(F)F	REAL300012013563	0	45	0.0	-38.67	384.79	7.02	-31.65
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013564	0	46	0.0	-43.91	394.45	6.87	-37.04
COC1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012013565	0	45	0.0	-39.07	369.60	4.79	-34.28
CCN(C)C1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012013566	0	53	0.0	-41.10	420.49	9.62	-31.48
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=NS1	REAL300012013567	0	38	0.0	-36.86	331.93	5.99	-30.87
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=NO1	REAL300012013568	0	38	0.0	-47.14	326.36	5.88	-41.26
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(CF)C=C1	REAL300012013569	0	42	0.0	-39.06	359.13	8.45	-30.61
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012013570	0	42	0.0	-39.31	368.07	9.00	-30.31
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1CO	REAL300012013571	0	43	0.0	-42.67	355.33	5.06	-37.61
CC1=NSC(C)=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013572	0	41	0.0	-36.76	351.62	6.41	-30.35
CC(C)(C)C1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=NO1	REAL300012013573	0	47	0.0	-33.92	372.30	7.52	-26.40
C=CCN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012013574	0	43	0.0	-37.99	368.25	6.85	-31.14
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012013575	0	42	0.0	-45.13	357.39	6.33	-38.80
CCC(C)C1=CC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012013576	0	51	0.0	-42.35	411.09	10.25	-32.10
CC(F)(F)C1=CC=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012013577	0	44	0.0	-34.79	380.25	7.57	-27.22
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012013578	0	49	0.0	-40.72	386.49	9.99	-30.73
O=C([O-])C(CCC1=CNN=C1C(F)(F)F)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012013579	0	45	0.0	-50.79	384.80	7.57	-43.22
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012013580	0	48	0.0	-37.00	385.94	10.31	-26.69
COC1=C2C=CNC2=CC=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013581	0	47	0.0	-39.22	392.03	7.05	-32.17
CC1=NC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C(C)S1	REAL300012013582	0	41	0.0	-37.01	357.93	6.08	-30.93
CCCN1N=CC(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1C	REAL300012013583	0	48	0.0	-36.67	395.13	7.56	-29.11
CC1=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012013584	0	47	0.0	-31.03	382.94	8.59	-22.44
COC(=O)C1=CN(C)C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012013585	0	46	0.0	-44.49	394.37	7.78	-36.71
CCCN1N=C(C)C=C1C[NH2+]C(CCC1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300012013586	0	48	0.0	-37.68	392.06	7.48	-30.20
CN1C=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])C(C2CCC2)=N1	REAL300012013587	0	49	0.0	-39.95	400.53	8.00	-31.95
CC(C)(C)C1=NC=C(C[NH2+]C(CCC2=CNN=C2C(F)(F)F)C(=O)[O-])O1	REAL300012013588	0	47	0.0	-36.40	390.34	5.12	-31.28
CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012013589	0	41	0.0	-29.97	335.34	9.59	-20.38
CC1=CC=C(C)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013590	0	41	0.0	-29.74	335.38	9.56	-20.18
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012013591	0	40	0.0	-36.01	344.01	8.79	-27.22
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1CC2C=CC1C2	REAL300012013592	0	40	0.0	-33.90	321.39	8.98	-24.92
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1CCCCC1	REAL300012013593	0	41	0.0	-31.75	324.75	8.56	-23.19
CC(C)(C)C1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013594	0	47	0.0	-32.67	380.38	10.76	-21.91
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012013595	0	42	0.0	-30.03	360.29	8.30	-21.73
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(Br)O1	REAL300012013596	0	32	0.0	-31.04	306.59	7.30	-23.74
CC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1C	REAL300012013597	0	41	0.0	-30.55	334.65	9.51	-21.04
CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1C	REAL300012013598	0	41	0.0	-31.79	340.50	9.57	-22.22
CC(C)OC1=CC=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013599	0	45	0.0	-31.88	371.88	9.36	-22.52
CCC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C2=CC=CC=C2O1	REAL300012013600	0	44	0.0	-29.84	369.29	10.40	-19.44
COC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(Cl)=C1	REAL300012013601	0	39	0.0	-34.08	342.78	8.09	-25.99
N#CC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013602	0	36	0.0	-41.62	325.01	8.82	-32.80
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012013603	0	38	0.0	-32.79	340.51	9.80	-22.99
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012013604	0	41	0.0	-35.15	350.23	8.94	-26.21
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])O1	REAL300012013605	0	42	0.0	-36.67	364.63	7.37	-29.30
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012013606	0	41	0.0	-39.19	353.84	6.44	-32.75
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(Cl)S1	REAL300012013607	0	32	0.0	-30.91	307.95	7.88	-23.03
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012013608	0	40	0.0	-28.56	343.96	8.98	-19.58
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012013609	0	42	0.0	-32.99	359.04	9.37	-23.62
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012013610	0	41	0.0	-38.50	355.37	10.89	-27.61
CCC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])O1	REAL300012013611	0	38	0.0	-33.95	326.23	8.10	-25.85
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(F)=CC=C1F	REAL300012013612	0	35	0.0	-34.73	316.12	8.53	-26.20
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012013613	0	35	0.0	-33.99	319.68	8.84	-25.15
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012013614	0	35	0.0	-35.41	326.77	9.00	-26.41
CCOC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013615	0	42	0.0	-35.53	355.51	8.67	-26.86
CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1F	REAL300012013616	0	38	0.0	-36.59	330.86	9.17	-27.42
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012013617	0	35	0.0	-30.99	330.00	9.28	-21.71
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012013618	0	35	0.0	-39.02	321.83	8.58	-30.44
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012013619	0	38	0.0	-35.29	341.52	9.99	-25.30
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012013620	0	35	0.0	-34.48	324.80	8.96	-25.52
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CN=C1Cl	REAL300012013621	0	34	0.0	-36.55	310.01	7.05	-29.50
CC(C)C1=NN(C)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013622	0	44	0.0	-32.04	365.01	7.79	-24.25
COC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1Cl	REAL300012013623	0	39	0.0	-34.38	349.67	8.31	-26.07
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012013624	0	41	0.0	-34.30	345.81	7.64	-26.66
CCCOC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013625	0	45	0.0	-32.81	376.60	9.28	-23.53
CC(C)OC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013626	0	45	0.0	-33.32	373.30	9.29	-24.03
CC(C)C1=NC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CS1	REAL300012013627	0	40	0.0	-28.80	351.92	7.47	-21.33
CC(C)(C)C1=NC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CS1	REAL300012013628	0	43	0.0	-28.67	370.82	7.98	-20.69
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])OC=C1	REAL300012013629	0	35	0.0	-30.53	305.41	7.20	-23.33
CC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CN=C1Cl	REAL300012013630	0	37	0.0	-38.48	334.65	7.67	-30.81
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012013631	0	40	0.0	-33.54	349.13	8.82	-24.72
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012013632	0	40	0.0	-33.46	348.99	9.00	-24.46
COC1=CC=C2OC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC2=C1	REAL300012013633	0	42	0.0	-36.98	359.44	8.17	-28.81
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012013634	0	39	0.0	-35.67	349.97	10.22	-25.45
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C2=CC=CC=C2O1	REAL300012013635	0	41	0.0	-35.37	353.13	9.60	-25.77
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=COC2=CC=CC=C12	REAL300012013636	0	38	0.0	-28.82	328.60	8.53	-20.29
CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])N=C1	REAL300012013637	0	37	0.0	-35.22	318.50	7.19	-28.03
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012013638	0	39	0.0	-37.46	347.14	9.83	-27.63
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012013639	0	42	0.0	-31.49	363.03	9.56	-21.93
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C(Cl)SC=C1	REAL300012013640	0	32	0.0	-27.20	308.37	7.98	-19.22
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012013641	0	39	0.0	-32.10	342.13	8.27	-23.83
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012013642	0	39	0.0	-35.76	342.44	8.45	-27.31
CCOC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012013643	0	41	0.0	-36.55	351.11	5.95	-30.60
CC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC2=CC=CN=C12	REAL300012013644	0	43	0.0	-37.47	363.33	9.55	-27.92
CC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=C1Cl	REAL300012013645	0	38	0.0	-33.54	337.55	9.46	-24.08
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012013646	0	37	0.0	-36.30	334.70	7.88	-28.42
CCCC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013647	0	44	0.0	-31.53	366.47	10.58	-20.95
COC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1C#N	REAL300012013648	0	40	0.0	-44.99	353.89	8.15	-36.84
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013649	0	41	0.0	-30.52	348.79	9.86	-20.66
CCOC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])N=C1	REAL300012013650	0	41	0.0	-34.48	350.38	6.64	-27.84
C=CCOC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013651	0	43	0.0	-35.25	367.08	9.21	-26.04
CC1=CC(C)=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1C	REAL300012013652	0	44	0.0	-30.20	354.02	10.16	-20.04
CC(C)(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012013653	0	44	0.0	-31.50	350.61	9.91	-21.59
CC1CCC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])CC1	REAL300012013654	0	44	0.0	-30.32	338.62	8.99	-21.33
CC(CCC1=CC=CC=C1)C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013655	0	47	0.0	-32.90	380.79	11.07	-21.83
CCC1CCCC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C1	REAL300012013656	0	47	0.0	-33.53	364.25	10.02	-23.51
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013657	0	41	0.0	-26.24	348.55	9.99	-16.25
CC1=C(C)C=C2OC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC2=C1	REAL300012013658	0	44	0.0	-31.87	370.32	10.17	-21.70
CCCC1CCC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])CC1	REAL300012013659	0	50	0.0	-33.51	385.72	10.78	-22.73
CC1CCCCC1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013660	0	44	0.0	-30.18	334.79	8.82	-21.36
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012013661	0	42	0.0	-35.42	356.64	10.54	-24.88
COC1=CC=C(C)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013662	0	42	0.0	-32.61	353.70	8.47	-24.14
COC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1F	REAL300012013663	0	39	0.0	-35.67	339.86	7.83	-27.84
CC(C)C1CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])CCO1	REAL300012013664	0	48	0.0	-37.68	375.24	8.51	-29.17
CC1(C)CCC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])CC1	REAL300012013665	0	47	0.0	-33.93	357.06	9.58	-24.35
CCSC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013666	0	42	0.0	-32.03	363.46	10.06	-21.97
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012013667	1	36	0.0	-29.18	333.99	6.12	-23.06
COC1(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])CCCCC1	REAL300012013668	0	45	0.0	-30.57	343.44	7.69	-22.88
CCN1N=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C2=CC=CC=C21	REAL300012013669	0	44	0.0	-34.61	373.84	9.15	-25.46
COCCC1(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])CCCCC1	REAL300012013670	0	51	0.0	-32.20	380.01	8.59	-23.61
CCCOC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013671	0	45	0.0	-33.72	375.06	9.42	-24.30
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012013672	0	38	0.0	-36.49	329.96	8.89	-27.60
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012013673	0	42	0.0	-36.96	364.43	10.34	-26.62
CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012013674	0	40	0.0	-36.96	348.14	9.63	-27.33
CC(C)OC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013675	0	45	0.0	-33.06	372.19	9.30	-23.76
CC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=C1F	REAL300012013676	0	38	0.0	-34.35	328.80	9.07	-25.28
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012013677	0	39	0.0	-32.53	335.54	8.44	-24.09
CC(C)CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013678	0	47	0.0	-32.51	385.28	11.14	-21.37
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012013679	0	35	0.0	-33.94	336.32	9.41	-24.53
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012013680	0	35	0.0	-34.40	325.97	8.98	-25.42
CC1=CC=CC(C)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013681	0	41	0.0	-29.19	331.50	9.32	-19.87
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(Br)=CO1	REAL300012013682	0	32	0.0	-34.02	304.66	7.16	-26.86
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012013683	0	39	0.0	-36.48	342.08	7.98	-28.50
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012013684	0	35	0.0	-36.87	326.42	8.98	-27.89
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012013685	0	35	0.0	-33.68	325.12	8.94	-24.74
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012013686	0	35	0.0	-35.34	315.74	8.57	-26.77
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012013687	0	35	0.0	-38.82	325.86	8.96	-29.86
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012013688	0	42	0.0	-32.77	361.50	8.36	-24.41
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012013688	1	42	0.0	-30.24	362.09	8.34	-21.90
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC(F)=C1F	REAL300012013689	0	35	0.0	-40.29	315.97	8.52	-31.77
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013690	0	41	0.0	-30.39	350.56	8.79	-21.60
COC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=N1	REAL300012013691	0	38	0.0	-35.59	331.16	5.13	-30.46
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012013692	0	40	0.0	-35.16	340.07	8.31	-26.85
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012013693	0	46	0.0	-35.92	376.85	8.34	-27.58
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012013694	0	39	0.0	-29.31	335.15	8.30	-21.01
CC1=CC(F)=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013695	0	38	0.0	-32.88	322.00	9.03	-23.85
CC1=NC(C)=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013696	0	37	0.0	-31.20	326.76	6.82	-24.38
CNC(=O)C1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013697	0	42	0.0	-42.64	358.56	6.65	-35.99
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012013698	0	41	0.0	-34.27	350.26	10.69	-23.58
COC1=C2OC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC2=CC=C1	REAL300012013699	0	42	0.0	-32.74	360.20	8.22	-24.52
COC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC(OC)=C1	REAL300012013700	0	43	0.0	-34.73	363.18	7.05	-27.68
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012013702	0	41	0.0	-42.72	354.33	7.33	-35.39
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012013703	0	42	0.0	-34.87	363.36	8.20	-26.67
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012013704	0	41	0.0	-31.94	355.73	8.23	-23.71
CN1C=NC2=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=C21	REAL300012013705	0	41	0.0	-33.37	352.36	9.62	-23.75
CCN1N=C(C)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1C	REAL300012013706	0	44	0.0	-32.40	367.88	8.10	-24.30
CC1(C)CC2=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=C2O1	REAL300012013707	0	46	0.0	-35.63	381.57	9.69	-25.94
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012013708	0	41	0.0	-30.98	360.81	6.87	-24.11
CC1=CC=C(F)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013709	0	38	0.0	-25.92	329.66	8.96	-16.96
CC1=CC=C(F)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013710	0	38	0.0	-31.17	324.08	9.02	-22.15
CC1=NC=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013711	0	37	0.0	-30.58	314.53	7.02	-23.56
CC1(C)CCCC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C1	REAL300012013712	0	47	0.0	-34.28	357.81	9.63	-24.65
CC1=CCCC(C)C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013713	0	45	0.0	-27.85	344.87	9.68	-18.17
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012013714	0	40	0.0	-32.38	338.63	8.75	-23.63
CC1=CC(Cl)=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013715	0	38	0.0	-31.70	330.67	9.41	-22.29
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012013716	0	39	0.0	-37.43	341.63	9.80	-27.63
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012013717	0	34	0.0	-35.58	314.59	7.07	-28.51
CN1N=NC2=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=C21	REAL300012013718	0	40	0.0	-34.25	344.67	6.61	-27.64
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1CCCCCC1	REAL300012013719	0	44	0.0	-34.68	337.10	9.15	-25.53
CC1(C)CC2=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C2O1	REAL300012013720	0	46	0.0	-28.66	381.48	9.65	-19.01
COC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012013721	0	38	0.0	-37.66	331.35	5.10	-32.56
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012013722	0	42	0.0	-31.41	362.33	9.47	-21.94
CC(C)N1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=N1	REAL300012013723	0	41	0.0	-33.70	347.13	7.63	-26.07
CC1=NC2=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C2C=C1	REAL300012013724	0	43	0.0	-36.60	366.84	9.42	-27.18
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012013725	0	37	0.0	-32.18	323.42	7.39	-24.79
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012013726	0	38	0.0	-33.61	334.97	8.75	-24.86
COCC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013727	0	42	0.0	-31.75	357.15	8.09	-23.66
CC(C)(C)C1CCC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])CC1	REAL300012013728	0	53	0.0	-30.94	394.09	10.60	-20.34
CC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C(C)O1	REAL300012013729	0	38	0.0	-32.91	323.92	7.98	-24.93
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012013730	0	46	0.0	-34.16	387.21	10.25	-23.91
CC(C)CC1=NC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013731	0	43	0.0	-32.67	371.96	8.61	-24.06
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012013732	0	38	0.0	-29.14	332.73	7.54	-21.60
COC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013733	0	39	0.0	-33.43	331.70	7.69	-25.74
CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])O1	REAL300012013734	0	35	0.0	-34.82	306.84	7.39	-27.43
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC=C1	REAL300012013735	0	35	0.0	-30.10	303.96	8.28	-21.82
CC(C)(C)C1=NC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013736	0	43	0.0	-32.14	369.72	8.21	-23.93
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012013737	0	41	0.0	-37.46	348.68	7.60	-29.86
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012013738	0	35	0.0	-35.19	319.56	8.91	-26.28
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012013739	0	42	0.0	-35.54	361.66	9.61	-25.93
CC(C)(C)N1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=N1	REAL300012013740	0	44	0.0	-33.18	365.62	8.22	-24.96
CC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC(C)=C1	REAL300012013741	0	41	0.0	-31.90	345.68	9.72	-22.18
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(CO)O1	REAL300012013742	0	36	0.0	-38.31	318.25	4.05	-34.26
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CS1	REAL300012013743	0	32	0.0	-28.00	293.97	7.37	-20.63
CC(=O)NC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013744	0	42	0.0	-36.41	360.04	7.36	-29.05
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC=C1Cl	REAL300012013745	0	35	0.0	-26.68	316.00	8.92	-17.76
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012013746	0	37	0.0	-42.81	331.96	8.92	-33.89
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012013747	0	37	0.0	-40.90	330.41	9.07	-31.83
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012013748	0	41	0.0	-32.70	341.73	10.50	-22.20
CN(C)C1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013749	0	43	0.0	-33.08	355.64	8.86	-24.22
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012013750	0	35	0.0	-33.74	318.93	8.92	-24.82
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012013751	0	35	0.0	-25.77	319.61	8.59	-17.18
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(F)C=C1	REAL300012013752	0	35	0.0	-34.50	308.49	8.43	-26.07
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012013753	0	39	0.0	-34.06	341.97	8.08	-25.98
COC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1OC	REAL300012013754	0	43	0.0	-28.39	362.44	7.73	-20.66
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012013755	0	35	0.0	-33.39	330.07	9.31	-24.08
COC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1OC	REAL300012013756	0	43	0.0	-36.42	362.93	7.64	-28.78
COC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(OC)=C1	REAL300012013757	0	43	0.0	-34.33	360.44	7.06	-27.27
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012013758	0	38	0.0	-36.14	342.87	9.46	-26.68
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(F)C=C1F	REAL300012013759	0	35	0.0	-36.97	314.86	8.52	-28.45
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012013760	0	35	0.0	-35.58	331.15	9.32	-26.26
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012013761	0	35	0.0	-34.46	336.05	9.43	-25.03
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1CC=CCC1	REAL300012013762	0	39	0.0	-34.02	315.44	8.60	-25.42
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012013763	0	39	0.0	-37.37	343.43	8.02	-29.35
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012013764	0	38	0.0	-38.37	332.75	9.52	-28.85
COC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013765	0	39	0.0	-33.07	333.25	7.56	-25.51
CC(=CC1=CC=CC=C1)C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013766	0	42	0.0	-33.52	352.13	10.23	-23.29
CC(C)C1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013767	0	44	0.0	-32.50	364.36	10.39	-22.11
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012013768	0	38	0.0	-35.30	342.80	9.27	-26.03
CCOC1=CC=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013769	0	42	0.0	-32.99	354.07	8.74	-24.25
CCOC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013770	0	42	0.0	-33.98	355.49	8.68	-25.30
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC=C1F	REAL300012013771	0	35	0.0	-28.67	308.68	8.48	-20.19
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC(F)=C1	REAL300012013772	0	35	0.0	-36.20	309.24	8.47	-27.73
COC1=CC=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013773	0	39	0.0	-32.52	330.92	7.77	-24.75
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])SC=C1	REAL300012013774	0	35	0.0	-26.64	311.39	7.89	-18.75
CC1=CC=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013775	0	38	0.0	-30.61	315.61	8.97	-21.64
CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013776	0	38	0.0	-32.80	325.58	9.12	-23.68
N#CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013777	0	36	0.0	-39.62	324.99	8.85	-30.77
CSC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013778	0	39	0.0	-33.20	342.41	9.42	-23.78
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012013779	0	35	0.0	-27.33	328.30	9.12	-18.21
CC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013780	0	38	0.0	-29.02	323.18	8.87	-20.15
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CSC=C1	REAL300012013781	0	32	0.0	-28.58	290.66	7.10	-21.48
CCC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013782	0	41	0.0	-32.55	347.02	9.90	-22.65
CC1=CC(C)=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012013783	0	44	0.0	-29.78	355.38	10.09	-19.69
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C(F)C=CC=C1F	REAL300012013784	0	35	0.0	-31.20	312.71	8.41	-22.79
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012013785	0	35	0.0	-36.48	316.89	8.56	-27.92
CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013786	0	35	0.0	-28.97	312.79	8.06	-20.91
COC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1O	REAL300012013787	0	40	0.0	-35.52	342.46	5.53	-29.99
CC1=NN(C)C(C)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013788	0	41	0.0	-34.85	342.94	7.10	-27.75
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013789	0	38	0.0	-26.10	338.82	6.80	-19.30
CCC1=NN(C)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013790	0	41	0.0	-32.34	344.88	7.32	-25.02
CN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012013791	0	47	0.0	-30.54	369.54	8.17	-22.37
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CN=C1	REAL300012013792	0	34	0.0	-33.28	296.91	6.58	-26.70
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CO1	REAL300012013793	0	32	0.0	-31.73	284.89	6.57	-25.16
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=NC=C1	REAL300012013794	0	34	0.0	-35.71	299.02	6.67	-29.04
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(Cl)O1	REAL300012013795	0	32	0.0	-30.43	300.70	7.18	-23.25
C#CCOC1=CC=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013796	0	41	0.0	-35.43	359.89	9.28	-26.15
CC1=NOC(C)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013797	0	37	0.0	-33.26	321.30	7.23	-26.03
CC1=NC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CS1	REAL300012013798	0	34	0.0	-33.23	310.53	5.99	-27.24
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012013799	0	41	0.0	-37.89	356.63	8.18	-29.71
CN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=N1	REAL300012013800	0	35	0.0	-34.94	307.04	6.27	-28.67
COC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1C	REAL300012013801	0	42	0.0	-34.67	353.71	8.50	-26.17
CC(C)(C)C1=NNC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013802	0	44	0.0	-31.06	349.16	6.97	-24.09
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NC=CN1	REAL300012013803	0	32	0.0	-27.47	281.20	4.93	-22.54
COC1=CC=CC(OC)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013804	0	43	0.0	-28.00	360.29	7.00	-21.00
CN1C=CN=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013805	0	35	0.0	-29.48	303.78	6.80	-22.68
CC(C)(C)C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013806	0	37	0.0	-31.59	298.72	7.48	-24.11
COC1=CC=C(F)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013807	0	39	0.0	-28.05	337.74	7.58	-20.47
CSC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013808	0	36	0.0	-33.21	335.60	8.69	-24.52
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012013809	0	38	0.0	-30.18	330.19	7.09	-23.09
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN=CN=C1	REAL300012013810	0	33	0.0	-35.93	291.71	6.37	-29.56
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C(Cl)C=CS1	REAL300012013811	0	32	0.0	-31.58	309.66	7.99	-23.59
COC1=CC=C(F)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013812	0	39	0.0	-32.60	337.36	7.83	-24.77
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NNC=C1	REAL300012013813	0	32	0.0	-31.00	282.73	4.80	-26.20
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=NN1	REAL300012013813	1	32	0.0	-35.20	282.82	4.81	-30.39
NC(=O)C1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013814	0	39	0.0	-39.55	338.72	5.22	-34.33
COC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=C1F	REAL300012013815	0	39	0.0	-37.05	337.93	7.76	-29.29
COC1=CC=C(Cl)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013816	0	39	0.0	-28.82	346.65	8.07	-20.75
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN=CS1	REAL300012013817	0	31	0.0	-29.92	285.43	5.40	-24.52
CN1C=NC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013818	0	35	0.0	-33.36	304.32	7.59	-25.77
COC(=O)C1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CN1C	REAL300012013819	0	42	0.0	-42.23	361.61	8.59	-33.64
CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1Cl	REAL300012013820	0	38	0.0	-35.49	339.60	9.55	-25.94
COC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=C1C	REAL300012013821	0	42	0.0	-33.52	351.66	8.41	-25.11
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CSC=N1	REAL300012013822	0	31	0.0	-35.20	286.69	5.36	-29.84
CC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1F	REAL300012013823	0	38	0.0	-35.07	328.71	9.06	-26.01
N#CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012013824	0	36	0.0	-41.98	330.53	8.85	-33.13
CC1=NNC(C)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013825	0	38	0.0	-31.57	322.56	5.90	-25.67
CC1=NNC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013826	0	35	0.0	-33.84	303.19	5.32	-28.52
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=NN1	REAL300012013826	1	35	0.0	-32.41	302.44	5.39	-27.02
CN1N=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013827	0	35	0.0	-35.22	304.77	6.01	-29.21
C#CCCOC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013828	0	44	0.0	-35.28	382.82	9.99	-25.29
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012013829	0	38	0.0	-40.10	331.11	8.96	-31.14
CC1=NN(C)C2=NC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C12	REAL300012013830	0	43	0.0	-35.22	366.95	7.89	-27.33
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012013831	0	38	0.0	-35.20	338.54	7.58	-27.62
CCC1=NC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CS1	REAL300012013832	0	37	0.0	-31.33	328.72	6.63	-24.70
CC1=NN(C)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013833	0	38	0.0	-35.85	324.59	6.77	-29.08
CCN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=N1	REAL300012013834	0	38	0.0	-37.36	327.23	7.09	-30.27
CN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])N=N1	REAL300012013835	0	34	0.0	-32.52	299.63	4.91	-27.61
NC(=O)C1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013836	0	39	0.0	-40.85	336.32	4.97	-35.88
CN1C=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012013837	0	35	0.0	-31.36	307.02	6.15	-25.21
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1CCCCCCC1	REAL300012013838	0	47	0.0	-29.82	344.44	9.38	-20.44
CC1=CSC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012013839	0	34	0.0	-31.55	308.36	5.94	-25.61
COC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1F	REAL300012013840	0	39	0.0	-38.76	337.70	7.73	-31.03
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012013841	0	42	0.0	-32.38	349.65	10.35	-22.03
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=COC=N1	REAL300012013842	0	31	0.0	-38.86	279.60	3.04	-35.82
CCN1N=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013843	0	38	0.0	-32.37	321.32	6.94	-25.43
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012013844	0	41	0.0	-29.41	352.71	8.18	-21.23
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012013845	0	40	0.0	-37.16	345.18	8.91	-28.25
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])SC=N1	REAL300012013846	0	34	0.0	-33.24	308.09	6.20	-27.04
COC1=CC(F)=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013847	0	39	0.0	-35.08	340.06	7.81	-27.27
CC(C)(C)C1=NC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=N1	REAL300012013848	0	45	0.0	-35.52	374.45	8.35	-27.17
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=CS1	REAL300012013849	0	35	0.0	-30.86	309.32	8.08	-22.78
CS(=O)C1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013850	0	40	0.0	-48.57	356.39	7.04	-41.53
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012013851	0	45	0.0	-29.06	364.47	10.70	-18.36
N#CC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012013852	0	35	0.0	-41.29	316.62	6.62	-34.67
COC(=O)C1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CN1	REAL300012013853	0	39	0.0	-35.06	343.86	6.83	-28.23
COCC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])O1	REAL300012013854	0	39	0.0	-36.49	338.52	6.41	-30.08
CC1=NC(F)=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013855	0	37	0.0	-33.77	318.43	7.11	-26.66
COC1=CC(C)=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013856	0	42	0.0	-32.34	352.38	8.43	-23.91
CC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CS1	REAL300012013857	0	35	0.0	-32.25	314.75	8.18	-24.07
CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])N=N1	REAL300012013858	0	36	0.0	-41.82	315.70	6.14	-35.68
CN1N=NC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013859	0	34	0.0	-40.00	298.91	4.84	-35.16
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(Cl)=CS1	REAL300012013860	0	32	0.0	-29.15	308.88	7.82	-21.33
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012013861	0	48	0.0	-32.47	387.68	11.65	-20.82
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])N(C)N=C1	REAL300012013862	0	38	0.0	-33.16	322.99	6.54	-26.62
CC1=CC(Cl)=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013863	0	38	0.0	-28.62	339.91	9.37	-19.25
COCC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013864	0	42	0.0	-34.60	359.19	8.19	-26.41
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012013865	0	42	0.0	-32.67	361.78	10.13	-22.54
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012013866	0	42	0.0	-30.21	352.96	10.36	-19.85
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NC=C(Cl)S1	REAL300012013867	0	31	0.0	-34.49	305.99	6.19	-28.30
C=CN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=N1	REAL300012013868	0	36	0.0	-35.04	317.42	7.41	-27.63
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012013869	0	45	0.0	-31.66	366.26	8.80	-22.86
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012013870	0	38	0.0	-35.11	336.30	9.33	-25.78
COC1=CC(C)=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012013871	0	44	0.0	-29.13	359.57	5.85	-23.28
COC1=CC=CC(Cl)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013872	0	39	0.0	-29.21	346.36	8.21	-21.00
CCC1=CC(OC)=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013873	0	45	0.0	-32.28	364.03	8.93	-23.35
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=NN1C	REAL300012013874	0	38	0.0	-29.20	322.08	6.41	-22.79
CCCN1N=C(C)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1C	REAL300012013875	0	47	0.0	-31.38	387.28	8.76	-22.62
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012013876	0	40	0.0	-34.13	345.96	7.93	-26.20
COCCN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=N1	REAL300012013877	0	42	0.0	-34.65	360.84	6.12	-28.53
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012013878	0	45	0.0	-32.68	369.94	11.03	-21.65
CCOC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1F	REAL300012013879	0	42	0.0	-39.69	361.72	8.76	-30.93
N#CC1=CSC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013880	0	33	0.0	-36.78	315.00	7.78	-29.00
COC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=C1C#N	REAL300012013881	0	40	0.0	-42.26	353.89	8.14	-34.12
CC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=C1C#N	REAL300012013882	0	39	0.0	-39.31	344.14	9.35	-29.96
CC1=CN=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013883	0	34	0.0	-31.07	308.47	6.14	-24.93
CC(C)CN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=N1	REAL300012013884	0	44	0.0	-36.74	364.09	8.68	-28.06
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012013885	0	42	0.0	-28.97	345.12	10.36	-18.61
CCC1=CN=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013886	0	37	0.0	-30.86	329.96	6.93	-23.93
CC1=NN(C(C)C)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013887	0	44	0.0	-34.73	364.81	8.16	-26.57
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012013888	0	38	0.0	-31.22	341.88	7.91	-23.31
CC(C)C1=NC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013889	0	40	0.0	-32.26	351.85	7.74	-24.52
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012013890	0	38	0.0	-37.53	340.34	7.44	-30.09
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])N1	REAL300012013891	0	43	0.0	-38.72	360.18	6.60	-32.12
NC(=O)C1=CSC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013892	0	36	0.0	-41.57	329.16	4.27	-37.30
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013893	0	47	0.0	-31.04	385.92	8.56	-22.48
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012013894	0	41	0.0	-32.14	357.37	8.51	-23.63
CCC1=CC=CC(F)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013895	0	41	0.0	-30.41	342.26	9.62	-20.79
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012013896	0	35	0.0	-35.84	318.31	6.26	-29.58
CC(C)C1=CN=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013897	0	40	0.0	-33.68	352.28	7.73	-25.95
CC(C)(C)C1=CN=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013898	0	43	0.0	-31.39	370.08	8.04	-23.35
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012013899	0	38	0.0	-31.30	337.11	7.81	-23.49
COCCCN1N=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013900	0	45	0.0	-31.20	375.18	6.73	-24.47
CC1=CC(F)=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(Cl)=C1	REAL300012013901	0	38	0.0	-24.53	339.60	9.21	-15.32
CSCC1=CN=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013902	0	38	0.0	-32.48	353.19	7.37	-25.11
CCN1N=C(C)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012013903	0	40	0.0	-26.93	339.84	5.75	-21.18
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012013904	0	42	0.0	-32.27	351.30	10.46	-21.81
CC1=NN(C)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013905	0	38	0.0	-34.81	325.39	6.55	-28.26
N#CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1F	REAL300012013906	0	36	0.0	-39.84	328.96	8.83	-31.01
CC1=CC(F)=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012013907	0	38	0.0	-27.67	333.80	8.92	-18.75
CC(C)CN1N=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013908	0	44	0.0	-33.03	358.59	7.86	-25.17
COC(=O)C1=C(C)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CN1	REAL300012013909	0	42	0.0	-32.20	361.54	7.29	-24.91
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013910	0	45	0.0	-37.01	378.70	10.32	-26.69
CC(C)C1=CC=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013911	0	44	0.0	-30.47	354.20	10.14	-20.33
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NN2CCCCC2=C1	REAL300012013912	0	42	0.0	-34.94	346.68	7.69	-27.25
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012013913	0	41	0.0	-33.85	353.85	8.10	-25.75
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012013914	0	37	0.0	-36.87	326.58	7.07	-29.80
CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(Cl)=C1	REAL300012013915	0	38	0.0	-30.06	337.02	9.35	-20.71
CCC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013916	0	41	0.0	-29.69	346.86	9.71	-19.98
COC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012013917	0	39	0.0	-37.74	339.21	7.75	-29.99
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012013918	0	42	0.0	-30.69	346.39	10.20	-20.49
COC1=CC=CC(F)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013919	0	39	0.0	-29.83	336.29	7.77	-22.06
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012013920	0	37	0.0	-37.97	336.30	8.19	-29.78
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C2CCCN2N=C1	REAL300012013921	0	39	0.0	-37.17	328.56	6.97	-30.20
CCC1=C2OC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC2=CC=C1	REAL300012013922	0	44	0.0	-36.22	372.86	10.32	-25.90
C=CCCN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])N=N1	REAL300012013923	0	41	0.0	-32.32	356.64	7.09	-25.23
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=NN1CC1CC1	REAL300012013924	0	42	0.0	-33.35	357.01	8.42	-24.93
CCOC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012013925	0	45	0.0	-32.41	366.92	9.19	-23.22
COC1=NC=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013926	0	38	0.0	-25.54	326.46	4.94	-20.60
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012013927	0	48	0.0	-31.35	386.31	11.57	-19.78
COCC1=CSC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013928	0	39	0.0	-29.15	347.29	7.03	-22.12
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012013929	0	41	0.0	-40.80	344.26	6.83	-33.97
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012013930	0	35	0.0	-38.94	326.09	7.80	-31.14
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012013931	0	35	0.0	-30.34	329.36	8.93	-21.41
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012013932	0	35	0.0	-28.32	318.90	8.38	-19.94
CCCN1N=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013933	0	41	0.0	-31.45	342.82	7.70	-23.75
CCCC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013934	0	41	0.0	-29.49	357.97	9.89	-19.60
CC(C)C1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013935	0	44	0.0	-32.08	363.05	10.32	-21.76
CN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(Cl)=N1	REAL300012013936	0	35	0.0	-28.26	323.23	6.47	-21.79
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012013937	0	48	0.0	-28.00	391.73	11.67	-16.33
COC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=C1Cl	REAL300012013938	0	39	0.0	-36.35	349.67	8.31	-28.04
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012013939	0	45	0.0	-33.72	373.52	8.94	-24.78
CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012013940	0	38	0.0	-35.48	331.12	9.14	-26.34
CC(=O)NC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013941	0	42	0.0	-38.11	360.56	7.33	-30.78
CN1N=CC2=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CN=C21	REAL300012013942	0	40	0.0	-39.34	348.49	7.57	-31.77
CN1N=C2CCCCC2=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013943	0	45	0.0	-32.90	368.34	8.42	-24.48
CC1=C(C)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CS1	REAL300012013944	0	38	0.0	-27.40	328.54	8.42	-18.98
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012013945	0	34	0.0	-38.73	321.74	7.13	-31.60
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012013946	0	41	0.0	-32.02	348.61	10.54	-21.48
CCOC1=CC(F)=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013947	0	42	0.0	-31.12	359.54	8.50	-22.62
CC1=C(Cl)C=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013948	0	38	0.0	-32.52	329.35	9.30	-23.22
COC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C(F)C=C1C	REAL300012013949	0	42	0.0	-26.62	357.83	8.33	-18.29
CC(C)(C)C1=CSC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012013950	0	43	0.0	-31.29	367.35	7.92	-23.37
COCCC1=NC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013951	0	41	0.0	-34.07	365.97	6.22	-27.85
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012013952	1	36	0.0	-34.01	325.07	5.76	-28.25
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012013953	0	43	0.0	-29.30	348.87	8.18	-21.12
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012013954	0	37	0.0	-36.41	328.44	8.71	-27.70
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012013955	0	40	0.0	-30.80	336.79	8.41	-22.39
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012013956	0	39	0.0	-39.46	338.13	6.77	-32.69
CCOC1=CC=CC(F)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013957	0	42	0.0	-31.92	359.48	8.75	-23.17
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012013958	0	40	0.0	-40.85	338.00	9.35	-31.50
CC1=COC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012013959	0	35	0.0	-30.28	303.32	6.97	-23.31
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012013960	0	34	0.0	-34.88	315.69	6.94	-27.94
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013961	0	42	0.0	-34.82	352.79	9.74	-25.08
CC1=CN=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])O1	REAL300012013962	0	34	0.0	-34.10	300.23	3.96	-30.14
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN(CCF)N=C1	REAL300012013963	0	38	0.0	-36.11	334.68	7.05	-29.06
CCCC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012013965	0	44	0.0	-31.82	366.47	10.59	-21.23
CC1=C2C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=NC2=NN1	REAL300012013966	0	40	0.0	-45.94	345.15	6.89	-39.05
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NC=CS1	REAL300012013967	0	31	0.0	-29.89	288.92	5.59	-24.30
CN1N=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C2=CC=CC=C21	REAL300012013968	0	41	0.0	-34.98	352.83	8.34	-26.64
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012013969	0	38	0.0	-33.06	327.56	6.78	-26.28
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012013969	1	38	0.0	-31.59	327.77	6.79	-24.80
CCC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013970	0	38	0.0	-29.74	336.42	9.08	-20.66
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012013971	0	40	0.0	-31.12	338.41	8.45	-22.67
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])N2C=CC=CC2=N1	REAL300012013972	0	41	0.0	-35.34	348.51	9.35	-25.99
CCC1=NC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])S1	REAL300012013973	0	37	0.0	-33.15	332.33	7.15	-26.00
COC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])SC=C1	REAL300012013974	0	36	0.0	-31.59	322.95	6.81	-24.78
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012013975	0	41	0.0	-33.61	360.15	6.51	-27.10
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CSC=C1Cl	REAL300012013976	0	32	0.0	-30.55	308.40	7.65	-22.90
CCCC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012013977	0	47	0.0	-35.44	381.27	11.16	-24.28
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1CC2CCC1C2	REAL300012013978	0	42	0.0	-33.24	328.77	9.10	-24.14
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(F)N=C1	REAL300012013979	0	34	0.0	-36.53	304.08	6.56	-29.97
CC1(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])CCC1	REAL300012013980	0	38	0.0	-32.76	308.40	8.10	-24.66
CC1(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])CC1	REAL300012013981	0	35	0.0	-32.63	292.61	7.78	-24.85
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1(C(F)F)CC1	REAL300012013982	0	35	0.0	-36.26	302.56	7.99	-28.27
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])NN=C1	REAL300012013983	0	35	0.0	-29.88	299.78	5.21	-24.67
CC1=CNN=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013983	1	35	0.0	-35.44	303.88	5.44	-30.00
CC1=CN=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])N1C	REAL300012013984	0	38	0.0	-36.03	324.29	7.12	-28.91
CC(C)C1CCC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])CC1	REAL300012013985	0	50	0.0	-33.49	381.05	10.49	-23.00
CCC1=NOC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013986	0	37	0.0	-32.06	321.34	7.04	-25.02
CN1N=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1Cl	REAL300012013987	0	35	0.0	-33.35	322.77	6.57	-26.78
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012013988	0	37	0.0	-31.03	324.42	5.68	-25.35
CC1=CN=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013989	0	37	0.0	-29.66	310.90	7.00	-22.66
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012013990	0	42	0.0	-35.16	353.35	10.55	-24.61
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012013991	0	41	0.0	-32.68	351.44	9.15	-23.53
CC(C)(C)N1N=NC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012013992	1	42	0.0	-33.94	356.18	6.20	-27.74
CC(C)N1C=CN=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013993	0	41	0.0	-28.32	344.96	8.26	-20.06
CN1N=CC(C2CC2)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013994	0	42	0.0	-33.71	354.86	8.11	-25.60
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012013995	0	45	0.0	-31.26	368.94	8.52	-22.74
CC1=NC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])N1C	REAL300012013996	0	38	0.0	-37.09	325.06	7.43	-29.66
CC1=C2C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])NC2=CC=C1	REAL300012013997	0	42	0.0	-30.84	354.61	8.79	-22.05
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012013998	0	41	0.0	-31.54	355.45	7.57	-23.97
CC1=CC=C2C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])NC2=C1	REAL300012013999	0	42	0.0	-34.24	357.40	9.04	-25.20
CC1=NC=CN=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014000	0	36	0.0	-32.85	308.74	5.01	-27.84
CCOC1=CN=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014001	0	41	0.0	-34.09	348.49	6.80	-27.29
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=NC=C1Cl	REAL300012014002	0	34	0.0	-33.58	307.62	7.03	-26.55
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012014003	0	38	0.0	-36.56	330.09	6.98	-29.58
CCC(F)(F)C(C)(C)C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014004	0	43	0.0	-33.08	340.81	8.59	-24.49
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=NC(F)=C1	REAL300012014005	0	34	0.0	-36.11	303.39	6.54	-29.57
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012014006	0	39	0.0	-34.53	335.51	8.46	-26.07
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012014007	0	38	0.0	-39.68	334.38	5.69	-33.99
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012014008	0	37	0.0	-36.85	333.56	7.52	-29.33
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014009	0	44	0.0	-32.52	376.86	8.68	-23.84
COC1=CN=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1C	REAL300012014010	0	41	0.0	-31.97	343.22	6.38	-25.59
CC1=CC(C)=C(C=CC[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012014011	0	48	0.0	-31.93	394.03	11.40	-20.53
CCCN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])N=N1	REAL300012014012	0	40	0.0	-32.38	343.87	6.54	-25.84
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014013	0	43	0.0	-30.69	360.44	8.49	-22.20
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012014014	0	39	0.0	-29.44	334.25	9.07	-20.37
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012014015	0	40	0.0	-43.15	350.25	8.84	-34.31
CC1=CC(C)=C(C=CC[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1C	REAL300012014016	0	48	0.0	-36.38	391.06	11.45	-24.93
CC1=NSC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014017	0	34	0.0	-32.31	309.44	6.84	-25.47
CCN1N=CN=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014018	0	37	0.0	-28.96	316.21	7.57	-21.39
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012014019	0	38	0.0	-36.39	332.90	5.74	-30.65
CCC1=CNC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012014020	0	38	0.0	-28.28	326.52	6.31	-21.97
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012014021	0	44	0.0	-26.98	350.74	8.81	-18.17
CC1=NN(C)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1Cl	REAL300012014022	0	38	0.0	-34.33	341.16	7.01	-27.32
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012014023	0	43	0.0	-35.26	357.88	9.07	-26.19
CCC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(Cl)=NN1	REAL300012014024	0	38	0.0	-27.23	335.35	6.57	-20.66
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012014025	0	39	0.0	-34.95	350.54	7.39	-27.56
CCC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C)=NO1	REAL300012014026	0	40	0.0	-32.73	342.91	8.01	-24.72
CCN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])N=N1	REAL300012014027	0	37	0.0	-32.19	321.04	5.74	-26.45
CC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C2CCCCC2=N1	REAL300012014028	0	47	0.0	-29.25	372.06	9.33	-19.92
CCOC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])O1	REAL300012014029	0	39	0.0	-31.14	338.49	7.94	-23.20
CCN1C=NC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014030	0	38	0.0	-33.85	324.56	8.33	-25.52
CC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CN=C1F	REAL300012014031	0	37	0.0	-39.59	325.78	7.22	-32.37
CC1=CC(F)=NC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014032	0	37	0.0	-33.86	317.95	6.88	-26.98
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012014033	0	38	0.0	-35.35	341.40	9.35	-26.00
COC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012014034	0	42	0.0	-32.23	343.41	8.19	-24.04
CC1CC2=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=C2O1	REAL300012014035	0	43	0.0	-35.01	361.22	9.08	-25.93
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012014036	0	38	0.0	-33.25	333.95	5.89	-27.36
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012014037	0	40	0.0	-35.12	339.86	8.26	-26.86
CSCC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012014038	0	42	0.0	-33.81	368.32	10.28	-23.53
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012014039	0	45	0.0	-33.49	375.16	9.18	-24.31
CN1N=C2CCOCC2=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014040	0	43	0.0	-33.75	359.44	6.04	-27.71
CN1N=C2CCCC2=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014041	0	42	0.0	-34.17	348.81	7.84	-26.33
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=NN1C1CCC1	REAL300012014042	0	42	0.0	-31.98	350.36	8.19	-23.79
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012014043	0	42	0.0	-36.31	350.24	8.15	-28.16
COC1=CC=C(C)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014044	0	42	0.0	-26.92	343.76	7.96	-18.96
CN1C=NC2=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C21	REAL300012014045	0	41	0.0	-34.16	338.79	9.54	-24.62
CCC1=CC=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014046	0	41	0.0	-30.33	334.64	9.62	-20.71
CC1=CC(F)=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014047	0	38	0.0	-29.15	329.59	8.94	-20.21
CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C)=C1C	REAL300012014048	0	44	0.0	-30.49	350.35	10.07	-20.42
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014049	0	47	0.0	-23.49	352.57	10.33	-13.16
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN=C2CCCCCN12	REAL300012014050	0	45	0.0	-32.14	360.20	8.84	-23.30
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CON=C1C1CC1	REAL300012014051	0	38	0.0	-36.53	331.03	8.03	-28.50
CCN1CCC2=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=C21	REAL300012014052	0	47	0.0	-32.55	381.50	9.02	-23.53
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=NN1C(C)C	REAL300012014053	0	44	0.0	-31.72	363.93	8.21	-23.51
CC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=C1C1CC1	REAL300012014054	0	45	0.0	-31.90	369.23	11.01	-20.89
CCOC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=N1	REAL300012014055	0	41	0.0	-34.25	353.08	6.10	-28.15
CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1C1CC1	REAL300012014056	0	45	0.0	-32.16	370.58	11.07	-21.09
COC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])O1	REAL300012014057	0	36	0.0	-28.40	315.53	6.77	-21.63
COCCOC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])O1	REAL300012014058	0	43	0.0	-33.85	373.35	7.19	-26.66
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014059	0	47	0.0	-27.89	384.13	8.47	-19.42
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NN(CCF)C=C1	REAL300012014060	0	38	0.0	-34.63	334.97	6.98	-27.65
CCN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012014061	0	41	0.0	-32.47	344.92	7.44	-25.03
CN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C2CC2)=N1	REAL300012014062	0	42	0.0	-31.23	358.85	8.26	-22.97
CN1N=C(C2CC2)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014063	0	42	0.0	-33.16	354.20	8.01	-25.15
CC(C)C1=NOC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014064	0	40	0.0	-33.16	340.42	7.68	-25.48
COC1=NC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1F	REAL300012014065	0	38	0.0	-31.45	336.85	5.19	-26.26
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN2C=CN=C2S1	REAL300012014066	0	35	0.0	-33.45	319.16	8.17	-25.28
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012014067	0	47	0.0	-32.62	386.15	9.96	-22.66
CC1=C(C)SC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012014068	0	37	0.0	-28.87	327.55	6.81	-22.06
CC1OC2=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C2C1C	REAL300012014069	0	46	0.0	-34.07	376.29	9.53	-24.54
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CSN=C1	REAL300012014070	0	31	0.0	-35.21	288.64	6.10	-29.11
CC(C)CC1=CC=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014071	0	47	0.0	-28.81	367.43	10.71	-18.10
CC(C)CN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])N=N1	REAL300012014072	0	43	0.0	-32.12	359.56	7.18	-24.94
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012014073	0	38	0.0	-29.57	340.01	7.66	-21.91
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012014074	0	35	0.0	-33.32	321.74	5.49	-27.83
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012014075	0	40	0.0	-36.40	338.68	8.25	-28.15
CN1C=C(Cl)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012014076	0	35	0.0	-31.96	321.53	6.57	-25.39
CSC1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014077	0	39	0.0	-33.23	343.96	9.27	-23.96
CC(C)C1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])N(C)N=C1	REAL300012014078	0	44	0.0	-32.60	362.55	7.85	-24.75
CC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC(C)=N1	REAL300012014079	0	40	0.0	-31.30	338.78	7.61	-23.69
CCCN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012014080	0	44	0.0	-35.85	369.59	8.45	-27.40
CCN1C=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012014081	0	38	0.0	-32.39	325.08	6.74	-25.65
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012014082	0	37	0.0	-35.46	325.45	7.12	-28.34
CC1=C(C)OC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012014083	0	37	0.0	-34.66	322.71	4.60	-30.06
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012014084	0	42	0.0	-29.79	368.08	10.67	-19.12
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012014085	0	43	0.0	-31.31	361.39	9.14	-22.17
CNC(=O)C1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014086	0	42	0.0	-41.16	358.25	6.48	-34.68
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012014087	0	42	0.0	-33.88	349.19	7.27	-26.61
CCCN1C=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012014088	0	41	0.0	-35.53	347.99	7.69	-27.84
CC(C)N1C=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012014089	0	41	0.0	-31.65	343.74	7.24	-24.41
CC(C)(C)C1=CN=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014090	0	46	0.0	-34.39	373.60	8.89	-25.50
CN1C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=NC2=C1CCCC2	REAL300012014091	0	45	0.0	-28.47	365.08	9.05	-19.42
COC1=NC(Cl)=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014092	0	38	0.0	-26.36	343.33	5.36	-21.00
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012014093	0	38	0.0	-42.26	342.70	9.36	-32.90
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012014094	0	43	0.0	-33.96	350.28	8.43	-25.53
COC1=NN(C)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014095	0	39	0.0	-39.83	339.86	4.18	-35.65
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012014096	0	39	0.0	-29.75	341.51	5.70	-24.05
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012014097	0	42	0.0	-27.42	346.05	9.03	-18.39
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012014098	0	37	0.0	-42.02	337.45	9.14	-32.88
CC1=COC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012014099	0	34	0.0	-35.02	300.23	3.75	-31.27
COC1=CC(C)=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=N1	REAL300012014100	0	41	0.0	-33.28	347.02	5.53	-27.75
COC1=CC(C)=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1O	REAL300012014101	0	43	0.0	-34.17	355.82	6.08	-28.09
COC1=NC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC=C1C	REAL300012014102	0	41	0.0	-30.04	351.45	5.82	-24.22
CCCN1C=NC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014103	0	41	0.0	-31.20	342.46	9.34	-21.86
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CNC1=O	REAL300012014104	0	35	0.0	-29.28	305.39	5.12	-24.16
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012014105	0	42	0.0	-41.68	359.99	8.38	-33.30
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012014106	0	48	0.0	-31.74	393.32	11.92	-19.82
CCC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=NN1CC	REAL300012014107	0	44	0.0	-30.64	361.83	8.31	-22.33
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012014108	0	35	0.0	-31.30	330.91	8.99	-22.31
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012014109	0	39	0.0	-35.44	335.73	6.89	-28.55
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012014110	0	39	0.0	-39.29	347.84	7.99	-31.30
COC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=CS1	REAL300012014111	0	36	0.0	-28.52	323.62	6.78	-21.74
CC(F)(F)C1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014112	0	41	0.0	-35.66	356.03	9.92	-25.74
CN1C=C(C2=NNC=C2C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=N1	REAL300012014113	0	42	0.0	-37.56	362.28	5.84	-31.72
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012014114	0	35	0.0	-30.44	321.32	8.62	-21.82
CC(C)(C)C1=NNC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014115	0	44	0.0	-32.12	365.97	7.10	-25.02
C=CCC1=CC=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014116	0	42	0.0	-31.17	348.25	10.22	-20.95
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC=CC1=CC=CC=C1	REAL300012014117	0	39	0.0	-33.64	334.78	9.55	-24.09
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN=NN1C1CC1	REAL300012014118	0	38	0.0	-37.72	329.38	6.44	-31.28
COCC1=CC=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014119	0	42	0.0	-32.02	350.03	8.30	-23.72
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012014120	0	43	0.0	-30.26	354.38	8.25	-22.01
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CN(CCO)N=C1	REAL300012014121	0	39	0.0	-38.42	338.59	3.70	-34.72
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012014122	0	41	0.0	-34.33	355.30	6.32	-28.01
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC=CC1=CC=NC=C1	REAL300012014123	0	38	0.0	-37.57	328.26	7.93	-29.64
CN1C=CC(C2=NNC=C2C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012014124	0	42	0.0	-36.16	361.54	6.33	-29.83
C=CC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012014125	0	39	0.0	-33.35	335.30	9.53	-23.82
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014126	0	41	0.0	-36.61	343.41	9.92	-26.69
CCN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C2CC2)=N1	REAL300012014127	0	45	0.0	-31.96	378.10	9.00	-22.96
CC(C)(C)C1=NOC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014128	0	43	0.0	-38.25	351.13	8.18	-30.07
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012014129	0	40	0.0	-37.62	345.18	8.91	-28.71
CC1=CC2=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C2O1	REAL300012014130	0	41	0.0	-28.66	351.31	9.51	-19.15
COC1=CSC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1OC	REAL300012014131	0	40	0.0	-32.94	355.58	6.44	-26.50
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CON=C1C1CCC1	REAL300012014132	0	41	0.0	-35.94	346.85	8.45	-27.49
CS(=O)(=O)C1=COC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014133	0	38	0.0	-41.35	345.90	3.95	-37.40
CCN1C=C(Cl)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012014134	0	38	0.0	-31.80	343.06	7.42	-24.38
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012014135	0	35	0.0	-27.48	328.35	8.81	-18.67
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012014136	0	38	0.0	-37.58	336.99	9.33	-28.25
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012014137	0	41	0.0	-36.20	353.35	10.66	-25.54
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CSC(Cl)=C1	REAL300012014138	0	32	0.0	-32.74	311.20	8.00	-24.74
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=NN1C1CCC1	REAL300012014139	0	45	0.0	-28.57	370.52	8.62	-19.95
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=NN1CC(F)F	REAL300012014140	0	38	0.0	-34.54	333.35	7.19	-27.35
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012014141	0	34	0.0	-31.07	314.81	6.91	-24.16
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014142	0	42	0.0	-26.82	357.58	6.35	-20.47
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012014143	0	42	0.0	-31.75	348.91	7.84	-23.91
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012014144	0	38	0.0	-39.78	338.34	7.26	-32.52
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012014145	0	39	0.0	-33.51	350.07	7.88	-25.63
CC1=CN(C)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012014146	0	38	0.0	-34.84	322.25	7.11	-27.73
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012014147	0	45	0.0	-35.35	369.97	8.79	-26.56
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012014148	0	34	0.0	-29.40	328.05	7.47	-21.93
CC1=NSC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014149	0	34	0.0	-30.80	299.51	6.32	-24.48
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012014150	0	38	0.0	-36.11	326.62	9.41	-26.70
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012014151	0	38	0.0	-41.18	329.08	7.10	-34.08
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012014152	0	35	0.0	-28.65	330.75	8.86	-19.79
CC1=C(F)C=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014153	0	38	0.0	-33.63	320.61	8.89	-24.74
COC1=C(C#N)C=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014154	0	40	0.0	-40.49	353.86	8.26	-32.23
CC1=NC(Cl)=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014155	0	37	0.0	-29.87	327.36	7.35	-22.52
COC1=CC(Cl)=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014156	0	39	0.0	-33.80	349.06	8.21	-25.59
COC1=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=CC(F)=C1F	REAL300012014157	0	39	0.0	-40.69	344.84	7.83	-32.86
COC1=CC(C)=NC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014158	0	41	0.0	-28.98	349.22	6.46	-22.52
CC(C)N1C=NC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014159	0	41	0.0	-34.85	347.47	8.83	-26.02
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014160	0	42	0.0	-31.44	364.81	5.99	-25.45
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C2CC2)=NO1	REAL300012014161	0	41	0.0	-31.53	349.95	8.56	-22.97
CC(C)OC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])O1	REAL300012014162	0	42	0.0	-31.03	358.80	8.65	-22.38
N#CC1=CC(F)=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014163	0	36	0.0	-40.46	331.42	8.89	-31.57
COC1=CC=CC=C1C=CC[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014164	0	43	0.0	-35.16	363.59	9.09	-26.07
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014165	0	45	0.0	-35.26	371.92	8.81	-26.45
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=NN1CC(F)F	REAL300012014166	0	41	0.0	-32.89	358.05	7.65	-25.24
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014167	0	42	0.0	-39.16	367.45	7.69	-31.47
COC1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012014168	0	41	0.0	-34.28	346.85	5.67	-28.61
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=NS1	REAL300012014169	0	34	0.0	-32.53	303.59	6.76	-25.77
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=NO1	REAL300012014170	0	34	0.0	-37.31	299.39	6.69	-30.62
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(CF)C=C1	REAL300012014171	0	38	0.0	-33.50	330.18	9.22	-24.28
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012014172	0	38	0.0	-32.44	340.66	9.63	-22.81
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC=C1CO	REAL300012014173	0	39	0.0	-32.45	327.77	5.88	-26.57
CC1=NSC(C)=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014174	0	37	0.0	-32.89	323.17	7.16	-25.73
CC(C)(C)C1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=NO1	REAL300012014175	0	43	0.0	-29.69	344.64	8.32	-21.37
C=CCN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=N1	REAL300012014176	0	39	0.0	-37.97	341.29	7.67	-30.30
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012014177	0	38	0.0	-32.08	326.93	6.87	-25.21
CCC(C)C1=CC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=C1	REAL300012014178	0	47	0.0	-31.57	380.87	10.99	-20.58
CC(F)(F)C1=CC=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=N1	REAL300012014179	0	40	0.0	-34.37	349.79	8.10	-26.27
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012014180	0	45	0.0	-30.86	359.53	10.80	-20.06
O=C([O-])C(CC(C(F)(F)F)C(F)(F)F)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012014181	0	41	0.0	-40.54	354.45	8.28	-32.26
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C=CC2=CC=CC=C12	REAL300012014182	0	44	0.0	-28.30	354.89	10.81	-17.49
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014183	0	43	0.0	-29.02	363.02	7.78	-21.24
CC1=NC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C(C)S1	REAL300012014184	0	37	0.0	-34.73	328.29	6.80	-27.93
CCCN1N=CC(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1C	REAL300012014185	0	44	0.0	-32.64	368.83	8.31	-24.33
CC1=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012014186	0	43	0.0	-33.50	358.72	9.39	-24.11
COC(=O)C1=CN(C)C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])=C1	REAL300012014187	0	42	0.0	-41.12	365.66	8.37	-32.75
CCCN1N=C(C)C=C1C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-]	REAL300012014188	0	44	0.0	-33.67	368.80	8.21	-25.46
CN1C=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])C(C2CCC2)=N1	REAL300012014189	0	45	0.0	-32.39	373.25	8.77	-23.62
CC(C)(C)C1=NC=C(C[NH2+]C(CC(C(F)(F)F)C(F)(F)F)C(=O)[O-])O1	REAL300012014190	0	43	0.0	-32.02	362.02	5.88	-26.14
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012014191	0	41	0.0	-26.74	342.65	9.61	-17.13
CC1=CC=C(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014192	0	41	0.0	-26.70	340.70	9.49	-17.21
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012014193	0	40	0.0	-32.60	348.92	8.65	-23.95
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1CC2C=CC1C2	REAL300012014194	0	40	0.0	-29.57	324.99	8.90	-20.67
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014195	0	47	0.0	-28.01	382.64	10.64	-17.37
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012014196	0	42	0.0	-28.04	364.28	8.15	-19.89
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012014197	0	32	0.0	-27.43	308.88	7.12	-20.31
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014198	0	45	0.0	-30.58	384.93	10.11	-20.47
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012014199	0	43	0.0	-33.07	376.29	7.77	-25.30
CCOC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1OC	REAL300012014200	0	46	0.0	-32.96	388.39	8.41	-24.55
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012014201	0	49	0.0	-26.21	414.60	11.58	-14.63
CCCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014202	0	51	0.0	-28.89	421.46	10.87	-18.02
CC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1C	REAL300012014203	0	41	0.0	-26.35	335.28	9.31	-17.04
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012014204	0	41	0.0	-27.99	344.88	9.45	-18.54
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1Br	REAL300012014205	0	39	0.0	-33.44	357.71	8.26	-25.18
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014206	0	45	0.0	-25.60	375.53	9.26	-16.34
CCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012014207	0	52	0.0	-32.82	431.39	9.99	-22.83
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012014208	0	49	0.0	-32.22	408.57	9.17	-23.05
C=CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012014209	0	47	0.0	-33.19	401.29	8.99	-24.20
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012014210	0	42	0.0	-28.58	383.44	10.66	-17.92
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012014211	0	42	0.0	-33.62	382.75	10.73	-22.89
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012014212	0	45	0.0	-34.20	390.70	9.92	-24.28
CCC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012014213	0	44	0.0	-26.48	372.88	10.32	-16.16
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012014214	0	41	0.0	-32.16	376.87	9.14	-23.02
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012014215	0	39	0.0	-31.56	352.37	8.16	-23.40
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012014216	0	39	0.0	-30.20	364.19	9.76	-20.44
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012014217	0	42	0.0	-27.42	366.81	6.00	-21.42
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(Cl)=C1	REAL300012014218	0	39	0.0	-30.46	349.04	8.00	-22.46
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012014219	0	39	0.0	-29.89	352.47	8.04	-21.85
N#CC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014220	0	36	0.0	-33.37	328.62	8.74	-24.63
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012014221	0	42	0.0	-32.51	369.62	8.18	-24.33
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014222	0	45	0.0	-27.56	385.68	8.84	-18.72
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012014223	0	39	0.0	-26.38	347.87	7.36	-19.02
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014224	0	46	0.0	-32.53	389.42	7.29	-25.24
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012014225	0	38	0.0	-28.39	341.81	9.58	-18.81
CCOC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012014226	0	54	0.0	-26.25	442.54	8.84	-17.41
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012014227	0	41	0.0	-30.06	351.68	8.77	-21.29
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])O2)C=C1	REAL300012014228	0	45	0.0	-28.12	388.12	10.81	-17.31
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])O1	REAL300012014229	0	42	0.0	-26.99	359.32	7.26	-19.73
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012014230	0	41	0.0	-29.26	359.15	6.35	-22.91
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012014231	0	50	0.0	-31.93	416.08	8.97	-22.96
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012014232	0	32	0.0	-30.79	315.03	8.08	-22.71
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012014233	0	42	0.0	-32.18	382.01	11.21	-20.97
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012014234	0	40	0.0	-25.25	345.39	8.81	-16.44
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012014235	0	48	0.0	-28.14	404.47	9.77	-18.37
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014236	0	44	0.0	-33.51	378.66	7.35	-26.16
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012014237	0	42	0.0	-32.54	363.97	9.49	-23.05
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012014238	0	41	0.0	-34.71	359.74	10.84	-23.87
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012014239	0	42	0.0	-33.69	384.82	11.31	-22.38
CCC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])O1	REAL300012014240	0	38	0.0	-27.26	330.62	7.98	-19.28
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012014241	0	35	0.0	-26.97	317.60	8.37	-18.60
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012014242	0	38	0.0	-26.46	357.05	9.72	-16.74
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012014243	0	35	0.0	-29.73	323.35	8.69	-21.04
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012014244	0	35	0.0	-33.75	330.38	8.85	-24.90
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012014245	0	38	0.0	-36.01	352.11	9.34	-26.67
CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014246	0	42	0.0	-28.68	359.12	8.58	-20.10
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012014247	0	38	0.0	-28.85	333.19	8.96	-19.89
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012014248	0	35	0.0	-24.94	335.06	9.24	-15.70
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012014249	0	38	0.0	-34.48	342.77	9.43	-25.05
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012014250	0	35	0.0	-34.42	325.47	8.43	-25.99
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012014251	0	38	0.0	-31.16	351.58	9.38	-21.78
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012014252	0	38	0.0	-28.06	349.72	9.30	-18.76
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(Cl)=C1OC	REAL300012014253	0	43	0.0	-33.58	381.39	8.06	-25.52
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012014254	0	38	0.0	-30.24	343.00	9.82	-20.42
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012014255	0	35	0.0	-33.83	330.38	8.86	-24.97
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012014256	0	39	0.0	-28.80	361.09	8.41	-20.39
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012014257	0	34	0.0	-32.43	313.67	6.96	-25.47
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012014258	0	48	0.0	-33.16	413.91	9.88	-23.28
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014259	0	44	0.0	-28.41	370.82	7.91	-20.50
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014260	0	44	0.0	-26.40	387.89	8.24	-18.16
COCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014261	0	46	0.0	-33.21	391.45	7.75	-25.46
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300012014262	0	39	0.0	-33.57	353.32	8.14	-25.43
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012014263	0	40	0.0	-38.11	368.03	7.28	-30.83
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014264	0	47	0.0	-26.47	388.90	9.93	-16.54
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012014265	0	42	0.0	-30.54	377.37	9.01	-21.53
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012014266	0	41	0.0	-31.17	350.72	7.50	-23.67
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012014267	0	44	0.0	-26.85	369.39	8.34	-18.51
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014268	0	47	0.0	-31.87	391.03	10.33	-21.54
CCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014269	0	45	0.0	-31.17	380.65	9.32	-21.85
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012014270	0	42	0.0	-30.24	373.84	10.93	-19.31
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012014271	0	49	0.0	-28.43	401.86	10.56	-17.87
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014272	0	45	0.0	-31.34	377.08	9.14	-22.20
CC1=CC=C(C2=NC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CS2)C=C1	REAL300012014273	0	44	0.0	-31.82	391.86	9.75	-22.07
CC(C)C1=NC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CS1	REAL300012014274	0	40	0.0	-26.03	355.56	7.32	-18.71
CC(C)(C)C1=NC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CS1	REAL300012014275	0	43	0.0	-30.37	372.31	7.82	-22.55
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012014276	0	38	0.0	-32.50	363.65	8.09	-24.41
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012014277	0	42	0.0	-33.64	382.03	11.21	-22.43
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014278	0	49	0.0	-32.03	413.77	9.21	-22.82
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012014279	0	49	0.0	-28.83	400.17	10.52	-18.31
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])S2)C=C1	REAL300012014280	0	45	0.0	-30.22	394.86	11.74	-18.48
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014281	0	39	0.0	-28.27	370.02	8.74	-19.53
CCOC1=C(OC)C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012014282	0	50	0.0	-33.37	420.23	8.31	-25.06
COCCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014283	0	49	0.0	-29.81	412.97	8.41	-21.40
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CN=C1Cl	REAL300012014284	0	37	0.0	-33.20	336.97	7.48	-25.72
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014285	0	43	0.0	-29.71	375.16	7.21	-22.50
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012014286	0	39	0.0	-27.20	356.79	8.24	-18.96
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012014287	0	48	0.0	-33.01	409.62	9.95	-23.06
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])S2)C=C1	REAL300012014288	0	44	0.0	-29.97	394.19	9.99	-19.98
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012014289	0	40	0.0	-30.08	364.26	9.34	-20.74
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012014290	0	40	0.0	-26.54	353.18	8.92	-17.62
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012014291	0	40	0.0	-29.80	352.64	8.86	-20.94
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012014292	0	40	0.0	-25.14	359.86	9.24	-15.90
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012014293	0	42	0.0	-34.96	382.50	10.41	-24.55
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])O1	REAL300012014294	0	45	0.0	-32.92	394.97	11.00	-21.92
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])O2)C=C1	REAL300012014295	0	48	0.0	-28.47	410.92	11.62	-16.85
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(OC(F)F)=C1	REAL300012014296	0	43	0.0	-32.76	375.16	7.23	-25.53
COC1=CC=C2OC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CC2=C1	REAL300012014297	0	42	0.0	-30.03	363.82	8.06	-21.97
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012014298	0	39	0.0	-33.05	355.55	10.10	-22.95
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012014299	0	41	0.0	-31.10	356.71	9.52	-21.58
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012014300	0	38	0.0	-31.92	335.71	8.66	-23.26
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012014301	0	43	0.0	-32.38	372.38	10.04	-22.34
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1Br	REAL300012014302	0	38	0.0	-28.61	347.28	9.48	-19.13
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N=C1	REAL300012014303	0	37	0.0	-26.06	322.84	7.08	-18.98
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012014304	0	39	0.0	-36.25	349.43	9.65	-26.60
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1Br	REAL300012014305	0	38	0.0	-29.54	345.97	9.44	-20.10
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012014306	0	42	0.0	-33.48	364.49	9.40	-24.08
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012014307	0	32	0.0	-27.23	309.78	7.83	-19.40
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012014308	0	40	0.0	-26.26	358.11	8.63	-17.63
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012014309	0	39	0.0	-30.62	344.86	8.27	-22.35
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012014310	0	39	0.0	-31.75	346.08	8.30	-23.45
CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012014311	0	41	0.0	-32.60	355.47	5.90	-26.70
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012014312	0	43	0.0	-32.19	369.03	9.48	-22.71
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1Cl	REAL300012014313	0	38	0.0	-29.63	341.94	9.35	-20.28
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012014314	0	37	0.0	-32.06	338.34	7.73	-24.33
CCCC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014315	0	44	0.0	-28.71	372.17	10.50	-18.21
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012014316	0	49	0.0	-32.47	405.74	9.31	-23.16
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C(SC)C=C1OC	REAL300012014317	0	47	0.0	-27.50	400.75	8.44	-19.06
COC1=CC=C2N=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])SC2=C1	REAL300012014318	0	41	0.0	-31.70	369.40	7.11	-24.59
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014319	0	41	0.0	-34.58	370.89	9.16	-25.42
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1C#N	REAL300012014320	0	40	0.0	-39.61	357.50	8.01	-31.60
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012014321	0	39	0.0	-31.16	355.43	9.55	-21.61
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014322	0	41	0.0	-26.49	352.44	9.70	-16.79
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012014323	0	39	0.0	-34.51	353.27	7.94	-26.57
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N=C1	REAL300012014324	0	41	0.0	-26.89	352.88	6.61	-20.28
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014325	0	41	0.0	-28.99	360.31	9.97	-19.02
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012014326	0	43	0.0	-31.74	386.47	8.19	-23.55
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OCC(C)C	REAL300012014327	0	52	0.0	-31.19	428.67	9.85	-21.34
CCCOC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1OC	REAL300012014328	0	49	0.0	-32.76	409.89	9.21	-23.55
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Br)S1	REAL300012014329	0	32	0.0	-29.87	317.51	8.12	-21.75
CCOC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012014330	0	46	0.0	-33.92	408.35	9.05	-24.87
C=CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014331	0	43	0.0	-28.80	372.02	9.17	-19.63
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1OC(C)C	REAL300012014332	0	49	0.0	-25.78	405.81	9.37	-16.41
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012014333	0	46	0.0	-31.02	407.01	9.11	-21.91
CCCOC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=CC=C1OCC	REAL300012014334	0	52	0.0	-25.80	431.78	10.27	-15.53
CCCCOC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1OC	REAL300012014335	0	52	0.0	-31.85	431.39	9.99	-21.86
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OC(F)F	REAL300012014336	0	43	0.0	-31.11	376.30	7.78	-23.33
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012014337	0	45	0.0	-31.85	386.34	9.35	-22.50
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-])OC(C)C2	REAL300012014338	0	50	0.0	-28.44	414.79	9.24	-19.20
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012014339	0	45	0.0	-33.08	381.48	7.32	-25.76
CCCCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1Cl	REAL300012014340	0	47	0.0	-28.72	410.74	9.34	-19.38
CC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012014341	0	44	0.0	-26.30	358.88	10.10	-16.20
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012014342	0	42	0.0	-30.22	373.46	11.06	-19.16
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012014343	0	42	0.0	-38.49	380.56	10.35	-28.14
CC(C)(C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012014344	0	44	0.0	-30.24	355.83	10.07	-20.17
CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012014345	0	51	0.0	-28.84	414.61	9.89	-18.95
CC1CCC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])CC1	REAL300012014346	0	44	0.0	-28.70	341.28	8.99	-19.71
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014347	0	47	0.0	-31.60	386.79	11.23	-20.37
CCC1CCCC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C1	REAL300012014348	0	47	0.0	-29.77	356.57	9.48	-20.29
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-])=N2	REAL300012014349	0	47	0.0	-29.71	390.75	8.91	-20.80
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014350	0	41	0.0	-24.22	356.26	9.89	-14.33
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CC2=C1	REAL300012014351	0	44	0.0	-33.14	373.95	10.09	-23.05
CCCC1CCC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])CC1	REAL300012014352	0	50	0.0	-29.23	389.36	10.64	-18.59
CC1CCCCC1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014353	0	44	0.0	-29.01	339.17	8.87	-20.14
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012014354	0	42	0.0	-30.73	376.66	8.51	-22.22
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012014355	0	42	0.0	-34.80	362.40	10.70	-24.10
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012014356	0	42	0.0	-35.25	374.28	10.29	-24.96
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012014357	0	41	0.0	-32.31	366.94	7.94	-24.37
CCCCC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012014358	0	50	0.0	-26.02	415.88	11.87	-14.15
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012014359	0	44	0.0	-33.77	386.67	8.77	-25.00
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014360	0	42	0.0	-28.40	356.02	8.28	-20.12
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012014361	0	39	0.0	-35.14	343.52	7.66	-27.48
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012014362	0	44	0.0	-32.64	359.17	9.31	-23.33
CC(C)C1CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])CCO1	REAL300012014363	0	48	0.0	-32.60	377.56	8.38	-24.22
CC1(C)CCC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])CC1	REAL300012014364	0	47	0.0	-28.80	361.45	9.48	-19.32
CCSC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014365	0	42	0.0	-28.34	369.44	10.21	-18.13
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012014366	1	36	0.0	-27.26	338.96	6.03	-21.23
COC1(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])CCCCC1	REAL300012014367	0	45	0.0	-25.45	349.48	7.66	-17.79
CCN1N=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012014368	0	44	0.0	-31.52	379.55	9.08	-22.44
COCCC1(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])CCCCC1	REAL300012014369	0	51	0.0	-29.01	386.14	8.51	-20.50
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014370	0	45	0.0	-29.88	380.62	9.39	-20.49
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012014371	0	38	0.0	-32.32	333.49	8.81	-23.51
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012014372	0	42	0.0	-28.17	366.72	10.14	-18.03
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012014373	0	49	0.0	-32.29	404.99	8.99	-23.30
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OCC	REAL300012014374	0	52	0.0	-31.23	430.42	10.09	-21.14
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012014375	0	40	0.0	-39.63	352.00	9.49	-30.14
CC(C)OC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014376	0	45	0.0	-29.65	374.89	9.13	-20.52
CC(C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012014377	0	56	0.0	-30.15	439.39	12.63	-17.52
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1F	REAL300012014378	0	38	0.0	-30.37	333.19	8.95	-21.42
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012014379	0	39	0.0	-28.92	339.13	8.36	-20.56
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(Br)C=CS1	REAL300012014380	0	32	0.0	-26.59	315.94	7.89	-18.70
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012014381	0	48	0.0	-28.73	391.02	7.82	-20.91
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012014382	0	35	0.0	-25.81	330.48	8.96	-16.85
CC(C)CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014383	0	47	0.0	-28.53	388.91	11.04	-17.49
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=C2)C=C1	REAL300012014384	0	48	0.0	-30.92	403.41	12.38	-18.54
COC1=CC=C(Br)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014385	0	39	0.0	-26.26	346.80	8.07	-18.19
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012014386	0	41	0.0	-36.34	361.99	8.99	-27.35
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012014387	0	35	0.0	-29.67	339.93	9.26	-20.41
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012014388	0	35	0.0	-30.68	330.91	8.94	-21.74
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014389	0	41	0.0	-26.07	340.70	9.36	-16.71
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012014390	0	32	0.0	-29.41	310.25	7.06	-22.35
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014391	0	48	0.0	-31.09	403.85	12.37	-18.72
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012014392	0	39	0.0	-30.86	345.70	7.90	-22.96
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OCC	REAL300012014393	0	49	0.0	-31.48	408.92	9.29	-22.19
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012014394	0	35	0.0	-32.57	330.09	8.83	-23.74
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012014395	0	38	0.0	-35.18	359.69	9.70	-25.48
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012014396	0	35	0.0	-28.90	325.33	8.76	-20.14
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012014397	0	39	0.0	-31.58	352.47	8.04	-23.54
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012014398	0	35	0.0	-26.28	327.92	8.81	-17.47
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014399	0	49	0.0	-30.87	413.82	11.35	-19.52
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012014400	0	35	0.0	-30.85	319.29	8.39	-22.46
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012014401	0	35	0.0	-27.18	329.54	8.87	-18.31
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C2=CC=CC=C12	REAL300012014402	0	45	0.0	-28.50	377.09	9.84	-18.66
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012014403	0	42	0.0	-29.83	365.13	8.23	-21.60
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012014403	1	42	0.0	-29.60	366.39	8.30	-21.30
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012014404	0	35	0.0	-26.92	317.49	8.37	-18.55
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014405	0	41	0.0	-35.55	354.19	8.70	-26.85
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300012014406	0	38	0.0	-31.60	334.83	4.98	-26.62
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012014407	0	40	0.0	-30.49	342.36	8.09	-22.40
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CSC(Br)=C1	REAL300012014408	0	32	0.0	-28.29	318.10	8.00	-20.29
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012014409	0	45	0.0	-30.32	380.69	11.66	-18.66
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012014410	0	48	0.0	-33.60	411.16	9.82	-23.78
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012014411	0	46	0.0	-30.42	381.71	8.20	-22.22
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012014412	0	39	0.0	-27.37	336.78	8.30	-19.07
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014413	0	38	0.0	-28.90	328.96	9.05	-19.85
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012014414	0	35	0.0	-33.71	334.80	8.96	-24.75
CC1=NC(C)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014415	0	37	0.0	-27.65	330.37	6.67	-20.98
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012014416	0	44	0.0	-29.75	379.43	10.25	-19.50
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012014417	0	44	0.0	-33.25	375.69	9.89	-23.36
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012014418	0	44	0.0	-31.85	375.86	9.97	-21.88
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014419	0	50	0.0	-27.59	399.84	8.78	-18.81
CN1CCN(C2=CC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])C=C2)CC1	REAL300012014420	1	52	0.0	-29.81	417.01	7.00	-22.81
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012014421	0	44	0.0	-33.63	389.10	6.85	-26.78
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014422	0	42	0.0	-35.48	364.24	6.64	-28.84
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012014423	0	42	0.0	-32.52	373.01	9.64	-22.88
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012014424	0	42	0.0	-32.10	383.32	10.09	-22.01
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012014425	0	42	0.0	-31.27	376.54	8.97	-22.30
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012014426	0	41	0.0	-29.63	352.58	10.51	-19.12
COC1=C2OC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CC2=CC=C1	REAL300012014427	0	42	0.0	-35.55	362.99	8.10	-27.45
CC(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012014428	0	46	0.0	-39.13	391.55	10.75	-28.38
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014429	0	51	0.0	-28.60	424.42	10.75	-17.85
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012014430	0	35	0.0	-26.24	332.49	8.92	-17.32
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012014431	0	35	0.0	-31.91	333.34	8.90	-23.01
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC(OC)=C1	REAL300012014432	0	43	0.0	-30.46	365.47	6.86	-23.60
COC1=CC2=CC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])C=C2C=C1	REAL300012014433	0	45	0.0	-31.01	381.93	9.80	-21.21
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(Br)=CS1	REAL300012014435	0	32	0.0	-28.94	319.48	8.08	-20.86
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014436	0	48	0.0	-29.88	404.08	10.46	-19.42
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1OC(F)F	REAL300012014437	0	43	0.0	-28.65	374.77	7.91	-20.74
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012014438	0	39	0.0	-29.74	368.32	8.86	-20.88
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012014439	0	41	0.0	-39.09	355.97	7.33	-31.76
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012014441	0	35	0.0	-33.75	334.79	8.95	-24.80
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012014442	0	50	0.0	-28.79	399.41	9.53	-19.26
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014443	0	54	0.0	-28.45	445.11	11.73	-16.72
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1SC	REAL300012014444	0	43	0.0	-32.69	376.70	8.64	-24.05
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014445	0	46	0.0	-35.66	400.15	9.86	-25.80
CCC(C)OC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1OC	REAL300012014446	0	52	0.0	-31.11	425.74	9.78	-21.33
C=C(C)COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1OC	REAL300012014447	0	50	0.0	-32.98	420.71	9.77	-23.21
C=CCC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC(OC)=C1O	REAL300012014448	0	47	0.0	-31.58	402.66	7.44	-24.14
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012014449	0	42	0.0	-32.20	365.87	8.17	-24.03
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014450	0	44	0.0	-32.52	384.67	9.21	-23.31
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012014451	0	41	0.0	-38.47	360.67	8.18	-30.29
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012014452	0	41	0.0	-27.91	370.92	9.12	-18.79
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012014453	0	48	0.0	-33.94	401.84	7.43	-26.51
CN1C=NC2=CC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012014454	0	41	0.0	-36.34	354.85	9.60	-26.74
CCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1C	REAL300012014455	0	44	0.0	-28.76	371.47	8.01	-20.75
C=CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300012014456	0	43	0.0	-33.59	388.08	9.65	-23.94
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012014457	0	41	0.0	-31.15	372.82	9.37	-21.78
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012014458	0	47	0.0	-26.37	394.22	8.22	-18.15
CC1(C)CC2=CC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CC=C2O1	REAL300012014459	0	46	0.0	-30.84	383.88	9.50	-21.34
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012014460	0	41	0.0	-27.73	363.13	6.68	-21.05
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012014461	0	38	0.0	-27.00	364.26	8.12	-18.88
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014462	0	45	0.0	-27.10	383.85	8.77	-18.33
CC1=CC=C(F)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014463	0	38	0.0	-25.84	333.71	9.01	-16.83
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014464	0	38	0.0	-30.19	329.03	9.04	-21.15
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012014465	0	38	0.0	-30.48	361.91	9.81	-20.67
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(Br)=C1	REAL300012014466	0	38	0.0	-24.29	345.49	9.56	-14.73
CC1=NC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014467	0	37	0.0	-28.64	317.67	7.16	-21.48
CC(C)COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014468	0	48	0.0	-28.74	398.57	10.00	-18.74
COCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014469	0	46	0.0	-32.01	392.74	7.86	-24.15
CC1(C)CCCC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C1	REAL300012014470	0	47	0.0	-29.87	361.45	9.48	-20.39
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012014471	0	39	0.0	-33.30	363.07	8.41	-24.89
CC1=CCCC(C)C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014472	0	45	0.0	-24.58	346.47	9.49	-15.09
COC1=CC2=C(C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-])OCO2	REAL300012014473	0	42	0.0	-29.72	361.92	6.37	-23.35
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012014474	0	40	0.0	-28.81	342.03	8.63	-20.18
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014475	0	48	0.0	-27.79	399.40	10.04	-17.75
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014476	0	38	0.0	-27.75	337.97	9.46	-18.29
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012014477	0	39	0.0	-33.81	345.24	9.65	-24.16
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012014478	0	34	0.0	-31.51	318.18	6.89	-24.62
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012014479	0	34	0.0	-30.79	322.63	7.07	-23.72
CN1N=NC2=CC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012014480	0	40	0.0	-39.75	351.78	6.73	-33.02
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1CCCCCC1	REAL300012014481	0	44	0.0	-29.23	337.80	9.06	-20.17
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=C2O1	REAL300012014482	0	46	0.0	-25.05	379.68	9.38	-15.67
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012014483	0	38	0.0	-32.84	333.62	4.97	-27.87
CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012014484	0	45	0.0	-27.54	385.91	9.42	-18.12
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012014485	0	42	0.0	-36.53	364.86	9.51	-27.02
CC(C)N1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300012014486	0	41	0.0	-29.65	349.49	7.44	-22.21
CC1=C(Br)SC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014487	0	35	0.0	-30.81	339.27	8.80	-22.01
CC1=NC2=CC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])C=C2C=C1	REAL300012014488	0	43	0.0	-34.52	370.49	9.26	-25.26
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012014489	0	37	0.0	-27.88	331.64	7.42	-20.46
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])C=C2)=C1	REAL300012014490	0	51	0.0	-30.17	423.47	13.06	-17.11
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012014491	0	44	0.0	-34.24	375.40	11.70	-22.54
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012014492	0	38	0.0	-29.37	340.76	8.84	-20.53
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012014493	0	42	0.0	-33.01	369.97	8.83	-24.18
COCC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014494	0	42	0.0	-30.67	361.53	7.97	-22.70
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014495	0	48	0.0	-25.47	400.74	10.22	-15.25
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012014496	0	46	0.0	-31.99	408.36	12.46	-19.53
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012014497	0	45	0.0	-29.80	384.00	9.14	-20.66
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012014498	0	46	0.0	-30.41	379.12	8.09	-22.32
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014499	0	41	0.0	-35.53	368.83	9.14	-26.39
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012014500	0	39	0.0	-30.68	353.82	7.13	-23.55
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012014501	0	45	0.0	-36.17	397.12	9.99	-26.18
CC1CCC2=C(C1)SC(C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-])=N2	REAL300012014502	0	44	0.0	-26.32	377.08	8.71	-17.61
CC(C)(C)C1CCC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])CC1	REAL300012014503	0	53	0.0	-28.32	389.24	10.34	-17.98
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014504	0	49	0.0	-30.95	410.06	11.08	-19.87
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014505	0	49	0.0	-27.89	410.04	11.12	-16.77
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C(C)O1	REAL300012014506	0	38	0.0	-29.63	329.55	7.96	-21.67
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014507	0	48	0.0	-32.89	405.24	9.32	-23.57
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012014508	0	46	0.0	-30.66	390.80	10.17	-20.49
COC1=CC(Cl)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300012014509	0	39	0.0	-26.94	365.14	8.62	-18.32
CC(C)CC1=NC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014510	0	43	0.0	-29.55	375.61	8.53	-21.02
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012014511	0	38	0.0	-30.49	362.52	8.38	-22.11
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012014512	0	38	0.0	-30.76	363.95	8.32	-22.44
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])S2)O1	REAL300012014513	0	41	0.0	-30.72	377.50	8.22	-22.50
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014514	0	38	0.0	-27.76	342.53	9.56	-18.20
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012014515	0	42	0.0	-28.56	368.46	8.22	-20.34
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012014516	0	44	0.0	-35.72	382.74	9.97	-25.75
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012014517	0	38	0.0	-27.66	349.73	9.24	-18.42
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014518	0	46	0.0	-26.29	389.20	7.83	-18.46
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014519	0	39	0.0	-29.95	357.78	8.36	-21.59
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012014520	0	38	0.0	-30.95	337.06	7.43	-23.52
CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012014521	0	42	0.0	-26.43	370.80	8.67	-17.76
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014522	0	39	0.0	-30.28	335.97	7.55	-22.73
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012014523	0	42	0.0	-29.59	374.44	10.25	-19.34
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014524	0	43	0.0	-28.53	373.30	8.03	-20.50
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012014525	0	41	0.0	-30.58	350.98	7.41	-23.17
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012014526	0	35	0.0	-28.16	327.74	8.93	-19.23
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012014527	0	35	0.0	-28.21	323.17	8.83	-19.38
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012014528	0	42	0.0	-34.14	366.59	9.57	-24.57
CC(C)(C)N1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300012014529	0	44	0.0	-29.33	369.20	8.14	-21.19
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC(C)=C1	REAL300012014530	0	41	0.0	-27.96	349.28	9.57	-18.39
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(CO)O1	REAL300012014531	0	36	0.0	-30.27	320.54	3.86	-26.41
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014532	0	42	0.0	-33.43	361.97	7.17	-26.26
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012014533	0	35	0.0	-24.79	319.65	8.77	-16.02
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012014534	0	37	0.0	-33.96	335.98	9.03	-24.93
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012014535	0	37	0.0	-36.83	335.98	9.03	-27.80
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012014536	0	41	0.0	-28.13	343.38	10.27	-17.86
CN(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014537	0	43	0.0	-28.73	357.95	8.72	-20.01
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014538	0	49	0.0	-28.60	402.92	10.60	-18.00
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012014539	0	35	0.0	-29.36	326.90	8.91	-20.45
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012014540	0	35	0.0	-29.38	322.34	8.80	-20.58
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC(OC)=C1OC	REAL300012014541	0	47	0.0	-33.94	399.70	7.41	-26.53
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012014542	0	35	0.0	-26.60	327.15	8.73	-17.87
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012014543	0	35	0.0	-30.96	314.17	8.43	-22.53
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012014544	0	39	0.0	-27.91	345.64	7.98	-19.93
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1OC	REAL300012014545	0	43	0.0	-26.70	366.57	7.60	-19.10
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012014546	0	35	0.0	-29.09	333.65	9.14	-19.95
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012014547	0	48	0.0	-30.70	391.77	7.19	-23.51
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012014548	0	43	0.0	-32.62	365.21	7.45	-25.17
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(OC)=C1	REAL300012014549	0	43	0.0	-30.39	364.09	6.91	-23.48
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012014550	0	38	0.0	-30.86	344.34	9.28	-21.58
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012014551	0	35	0.0	-32.60	318.45	8.34	-24.26
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012014552	0	35	0.0	-25.72	335.67	9.25	-16.47
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012014553	0	35	0.0	-32.26	338.38	9.22	-23.04
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012014554	0	39	0.0	-33.04	347.02	7.94	-25.10
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012014555	0	38	0.0	-34.26	336.38	9.42	-24.84
CCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014556	0	48	0.0	-28.92	399.96	10.09	-18.83
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014557	0	51	0.0	-28.81	417.53	10.61	-18.20
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014558	0	54	0.0	-29.85	445.11	11.73	-18.12
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012014559	0	46	0.0	-28.93	395.14	11.15	-17.78
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014560	0	39	0.0	-28.46	335.94	7.62	-20.84
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014561	0	42	0.0	-29.66	355.46	10.07	-19.59
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012014562	0	46	0.0	-33.03	388.39	8.41	-24.62
CC(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014563	0	44	0.0	-28.58	367.99	10.29	-18.29
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012014564	0	38	0.0	-29.34	345.17	9.31	-20.03
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(OC)=C1OC	REAL300012014565	0	47	0.0	-28.31	399.65	7.55	-20.76
CCOC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014566	0	42	0.0	-24.81	355.58	8.57	-16.24
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014567	0	42	0.0	-29.16	356.96	8.51	-20.65
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1F	REAL300012014568	0	35	0.0	-25.61	311.02	8.30	-17.31
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012014569	0	35	0.0	-29.38	314.17	8.43	-20.95
COC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014570	0	39	0.0	-28.85	334.56	7.62	-21.23
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])SC=C1	REAL300012014571	0	35	0.0	-25.94	315.29	7.94	-18.00
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014572	0	39	0.0	-28.90	357.22	8.27	-20.63
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012014573	0	45	0.0	-30.65	381.98	11.78	-18.87
CC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014574	0	38	0.0	-26.42	319.03	8.72	-17.70
COC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012014575	0	45	0.0	-28.35	378.16	9.78	-18.57
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014576	0	38	0.0	-28.75	329.17	9.04	-19.71
N#CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014577	0	36	0.0	-34.96	328.62	8.75	-26.21
CSC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014578	0	39	0.0	-30.08	346.68	9.27	-20.81
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012014579	0	35	0.0	-25.63	335.90	9.12	-16.51
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014580	0	47	0.0	-28.60	392.43	6.84	-21.76
CC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014581	0	38	0.0	-27.95	327.84	8.98	-18.97
CCC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014582	0	41	0.0	-28.69	350.65	9.80	-18.89
CC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012014583	0	44	0.0	-25.57	357.13	9.86	-15.71
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012014584	0	35	0.0	-28.41	317.10	8.29	-20.12
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012014585	0	35	0.0	-34.42	319.17	8.37	-26.05
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012014586	0	49	0.0	-29.34	417.71	11.60	-17.74
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014587	0	35	0.0	-28.36	317.72	8.19	-20.17
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1Br	REAL300012014588	0	35	0.0	-23.68	321.91	8.83	-14.85
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1O	REAL300012014589	0	40	0.0	-33.49	348.05	5.43	-28.06
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014590	0	41	0.0	-30.51	346.47	7.02	-23.49
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014591	0	38	0.0	-28.60	344.62	6.89	-21.71
CCC1=NN(C)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014592	0	41	0.0	-28.89	349.57	7.41	-21.48
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012014593	0	38	0.0	-37.21	350.01	7.46	-29.75
CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012014594	0	47	0.0	-29.03	374.21	8.25	-20.78
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Cl)O1	REAL300012014595	0	32	0.0	-27.41	304.24	7.01	-20.40
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014596	0	47	0.0	-33.77	400.64	10.11	-23.66
CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1OC	REAL300012014597	0	46	0.0	-25.61	386.21	8.46	-17.15
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OCC(N)=O	REAL300012014598	0	47	0.0	-43.47	405.12	5.45	-38.02
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014599	0	41	0.0	-25.84	361.36	9.11	-16.73
CC1=NOC(C)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014600	0	37	0.0	-31.61	324.92	7.07	-24.54
CC1=NC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CS1	REAL300012014601	0	34	0.0	-31.88	314.33	6.07	-25.81
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012014602	0	42	0.0	-33.69	363.38	6.24	-27.45
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012014603	0	41	0.0	-29.67	362.22	8.08	-21.59
COC1=CC2=C(C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-])OC(C)C2	REAL300012014604	0	47	0.0	-27.97	390.72	8.24	-19.73
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CS1	REAL300012014605	0	44	0.0	-31.51	384.23	8.08	-23.43
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012014606	0	42	0.0	-30.03	356.04	8.29	-21.74
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014607	0	44	0.0	-29.15	349.92	6.91	-22.24
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014608	0	43	0.0	-27.12	362.78	6.97	-20.15
COC1=CC=C(F)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014609	0	39	0.0	-30.67	341.79	7.69	-22.98
CSC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014610	0	36	0.0	-29.99	341.28	8.68	-21.31
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014611	0	48	0.0	-24.35	397.75	12.15	-12.20
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012014612	0	38	0.0	-32.61	332.48	6.90	-25.71
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012014613	0	32	0.0	-27.26	311.96	7.79	-19.47
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014614	0	41	0.0	-37.82	368.46	5.88	-31.94
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014615	0	39	0.0	-29.64	342.33	7.73	-21.91
NC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014616	0	39	0.0	-34.51	340.15	5.07	-29.44
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1F	REAL300012014617	0	39	0.0	-33.42	343.52	7.66	-25.76
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014618	0	39	0.0	-29.07	352.66	8.17	-20.90
COC(=O)C1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CN1C	REAL300012014619	0	42	0.0	-31.81	365.88	8.44	-23.37
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300012014620	0	38	0.0	-28.73	343.25	9.40	-19.33
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1C	REAL300012014621	0	42	0.0	-29.69	357.37	8.34	-21.35
CC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1F	REAL300012014622	0	38	0.0	-31.05	332.35	8.92	-22.13
N#CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012014623	0	36	0.0	-37.21	334.18	8.70	-28.51
CC1=NNC(C)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014624	0	38	0.0	-29.94	325.37	5.79	-24.15
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012014625	0	48	0.0	-30.86	410.48	9.90	-20.96
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012014626	0	34	0.0	-26.30	322.76	7.02	-19.28
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012014627	0	44	0.0	-30.39	379.30	5.60	-24.79
C#CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014628	0	44	0.0	-31.12	386.40	9.91	-21.21
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012014629	0	38	0.0	-29.18	334.76	8.80	-20.38
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])C=C12	REAL300012014630	0	43	0.0	-36.67	374.06	8.02	-28.65
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012014631	0	38	0.0	-26.30	344.24	7.51	-18.79
CCC1=NC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CS1	REAL300012014632	0	37	0.0	-25.65	334.48	6.73	-18.92
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012014633	0	38	0.0	-28.07	351.48	9.30	-18.77
CC1=NN(C)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014634	0	38	0.0	-30.16	330.23	6.74	-23.42
CCOCC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1OC	REAL300012014635	0	49	0.0	-28.13	410.06	8.46	-19.67
CCN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300012014636	0	38	0.0	-32.95	330.81	6.92	-26.03
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014637	0	39	0.0	-32.75	340.99	5.09	-27.66
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012014638	0	38	0.0	-36.44	344.97	7.85	-28.59
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1CCCCCCC1	REAL300012014639	0	47	0.0	-28.26	349.09	9.50	-18.76
CC1=CSC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012014640	0	34	0.0	-30.74	313.05	5.98	-24.76
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1F	REAL300012014641	0	39	0.0	-34.60	341.34	7.58	-27.02
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012014642	0	35	0.0	-25.90	329.69	8.78	-17.12
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012014643	0	42	0.0	-28.54	353.33	10.20	-18.34
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CSC=C1Br	REAL300012014644	0	32	0.0	-24.60	316.09	7.85	-16.75
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014645	0	48	0.0	-24.47	397.18	10.06	-14.41
CCN1N=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014646	0	38	0.0	-28.56	322.49	6.67	-21.89
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012014647	0	41	0.0	-30.18	354.99	8.00	-22.18
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012014648	0	35	0.0	-30.67	335.47	9.04	-21.63
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012014649	0	40	0.0	-33.29	348.79	8.76	-24.53
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012014650	0	35	0.0	-24.77	327.62	8.87	-15.90
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])SC=N1	REAL300012014651	0	34	0.0	-28.08	308.45	5.96	-22.12
COC1=CC(F)=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014652	0	39	0.0	-31.01	343.71	7.66	-23.35
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012014653	0	35	0.0	-27.08	333.95	8.98	-18.10
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300012014654	0	45	0.0	-31.36	378.07	8.27	-23.09
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=CS1	REAL300012014655	0	35	0.0	-27.80	315.00	8.06	-19.74
CS(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014656	0	40	0.0	-37.45	359.98	6.95	-30.50
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012014657	0	45	0.0	-28.51	370.48	10.78	-17.73
N#CC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012014658	0	35	0.0	-31.68	323.73	6.76	-24.92
COC(=O)C1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CN1	REAL300012014659	0	39	0.0	-38.11	348.12	6.68	-31.43
COCC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])O1	REAL300012014660	0	39	0.0	-29.01	342.79	6.26	-22.75
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=C1OC	REAL300012014661	0	46	0.0	-30.04	381.54	8.23	-21.81
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012014662	0	32	0.0	-24.62	326.59	8.28	-16.34
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014663	0	37	0.0	-29.89	321.96	7.03	-22.86
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014664	0	42	0.0	-29.33	357.35	8.32	-21.01
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CS1	REAL300012014665	0	35	0.0	-28.82	319.65	8.04	-20.78
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N=N1	REAL300012014666	0	36	0.0	-29.17	319.31	5.99	-23.18
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012014667	0	34	0.0	-31.98	333.84	6.70	-25.28
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014668	0	41	0.0	-35.13	367.13	5.83	-29.30
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012014669	0	32	0.0	-29.06	314.89	7.97	-21.09
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012014670	0	48	0.0	-27.64	389.15	11.47	-16.17
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N(C)N=C1	REAL300012014671	0	38	0.0	-30.01	328.68	6.55	-23.46
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014672	0	38	0.0	-28.11	344.61	9.42	-18.69
COCC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014673	0	42	0.0	-30.66	362.82	8.09	-22.57
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012014674	0	42	0.0	-24.89	363.15	9.92	-14.97
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012014675	0	42	0.0	-28.36	355.69	10.36	-18.00
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012014676	0	31	0.0	-30.33	308.31	6.01	-24.32
C=CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300012014677	0	36	0.0	-33.79	321.07	7.26	-26.53
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012014678	0	45	0.0	-27.66	369.77	8.73	-18.93
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014679	0	45	0.0	-26.04	379.44	9.91	-16.13
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012014680	0	38	0.0	-30.99	339.95	9.23	-21.76
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012014681	0	44	0.0	-29.08	368.44	6.09	-22.99
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014682	0	39	0.0	-26.82	349.98	8.13	-18.69
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014683	0	45	0.0	-28.47	367.72	8.79	-19.68
CC1=NC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012014684	0	45	0.0	-27.53	384.66	10.56	-16.97
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=NN1C	REAL300012014685	0	38	0.0	-31.55	325.21	6.54	-25.01
CCCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1C	REAL300012014686	0	47	0.0	-27.63	390.81	8.67	-18.96
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012014687	0	40	0.0	-32.07	348.46	7.91	-24.16
COCCN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300012014688	0	42	0.0	-30.89	364.48	5.97	-24.92
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012014689	0	45	0.0	-28.54	373.53	10.95	-17.59
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012014690	0	45	0.0	-30.81	380.92	9.92	-20.89
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012014691	0	42	0.0	-35.07	365.37	8.59	-26.48
COC1=CC=CC2=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])C=CC=C12	REAL300012014692	0	45	0.0	-27.68	374.97	9.76	-17.92
N#CC1=CSC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014693	0	33	0.0	-33.73	319.05	7.87	-25.86
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1C#N	REAL300012014694	0	40	0.0	-36.70	356.18	7.96	-28.74
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014695	0	45	0.0	-28.56	376.65	10.05	-18.51
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012014696	0	34	0.0	-31.86	333.14	6.60	-25.26
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1C#N	REAL300012014697	0	39	0.0	-34.85	347.80	9.19	-25.66
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(Br)=C1	REAL300012014698	0	39	0.0	-28.99	348.37	7.98	-21.01
CC1=CN=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014699	0	34	0.0	-30.30	313.17	6.19	-24.11
CC(C)CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300012014700	0	44	0.0	-32.22	367.67	8.51	-23.71
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012014701	0	42	0.0	-25.57	348.64	10.28	-15.29
CC1=CC(Br)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014702	0	35	0.0	-26.16	337.85	8.70	-17.46
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014703	0	50	0.0	-29.86	416.14	11.02	-18.84
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014704	0	45	0.0	-25.16	396.87	10.99	-14.17
CCC1=CN=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014705	0	37	0.0	-30.45	335.97	7.00	-23.45
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012014706	0	46	0.0	-35.66	383.18	9.18	-26.48
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014707	0	42	0.0	-29.77	367.09	8.60	-21.17
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012014708	0	41	0.0	-32.92	377.33	9.61	-23.31
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012014709	0	46	0.0	-29.24	406.16	10.67	-18.57
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014710	0	44	0.0	-28.29	368.29	8.06	-20.23
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012014711	0	44	0.0	-28.61	378.36	8.88	-19.73
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012014712	0	38	0.0	-29.08	343.52	7.91	-21.17
CC(C)C1=NC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014713	0	40	0.0	-28.64	355.42	7.56	-21.08
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012014714	0	38	0.0	-30.50	354.27	7.35	-23.15
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])C=C2)C=N1	REAL300012014715	0	45	0.0	-33.66	387.89	9.66	-24.00
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012014716	0	38	0.0	-33.76	343.98	7.29	-26.47
CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012014717	0	45	0.0	-28.64	392.31	9.49	-19.15
CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012014718	0	46	0.0	-32.60	408.07	9.85	-22.75
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N1	REAL300012014719	0	43	0.0	-35.64	364.70	6.47	-29.17
NC(=O)C1=CSC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014720	0	36	0.0	-37.98	334.13	4.15	-33.83
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300012014721	0	49	0.0	-34.12	414.84	10.68	-23.44
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014722	0	47	0.0	-28.20	392.64	8.58	-19.62
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012014723	0	41	0.0	-29.67	362.35	8.46	-21.21
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012014724	0	42	0.0	-31.49	369.67	6.49	-25.00
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N=N1	REAL300012014725	0	44	0.0	-29.77	376.60	8.85	-20.92
CN1N=C(Br)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014726	0	35	0.0	-30.25	330.13	6.42	-23.83
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])S2)C=N1	REAL300012014727	0	42	0.0	-32.38	379.56	8.97	-23.41
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012014728	0	47	0.0	-33.56	385.55	9.14	-24.42
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014729	0	42	0.0	-25.69	375.25	9.23	-16.46
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014730	0	41	0.0	-24.56	345.53	9.41	-15.15
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012014731	0	35	0.0	-26.61	340.68	9.28	-17.33
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012014732	0	35	0.0	-28.92	321.94	6.10	-22.82
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014733	0	46	0.0	-29.49	391.72	8.67	-20.82
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012014734	0	39	0.0	-28.06	357.75	8.24	-19.82
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012014735	0	42	0.0	-28.82	364.43	9.10	-19.72
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012014736	0	48	0.0	-27.23	405.16	10.08	-17.15
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012014737	0	48	0.0	-25.39	396.48	9.65	-15.74
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012014740	0	38	0.0	-27.72	340.40	7.69	-20.03
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012014741	0	41	0.0	-26.10	368.85	11.96	-14.14
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014742	0	45	0.0	-35.38	385.84	8.79	-26.59
COCCCN1N=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014743	0	45	0.0	-28.45	367.27	6.69	-21.76
CC1=CC(F)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(Cl)=C1	REAL300012014744	0	38	0.0	-27.25	348.56	9.40	-17.85
COCCOCC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014745	0	49	0.0	-31.65	417.01	8.21	-23.44
CSCC1=CN=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014746	0	38	0.0	-32.09	359.20	7.45	-24.64
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012014747	0	35	0.0	-23.70	324.64	8.22	-15.48
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012014748	0	41	0.0	-31.18	376.12	10.84	-20.34
CCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012014749	0	40	0.0	-27.97	346.94	5.88	-22.09
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012014750	0	42	0.0	-28.60	355.68	10.35	-18.25
CC1=NN(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014751	0	38	0.0	-30.95	329.01	6.40	-24.55
N#CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012014752	0	36	0.0	-38.38	333.22	8.69	-29.69
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012014753	0	38	0.0	-33.02	347.39	7.39	-25.63
CC1=CC(F)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012014754	0	38	0.0	-28.26	339.82	9.02	-19.24
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])O1	REAL300012014755	0	45	0.0	-26.04	380.23	8.49	-17.55
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014756	0	44	0.0	-28.38	363.86	7.85	-20.53
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CN1	REAL300012014757	0	42	0.0	-31.22	365.34	7.37	-23.85
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014758	0	45	0.0	-32.82	388.50	10.23	-22.59
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014759	0	48	0.0	-30.34	406.27	10.79	-19.55
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014760	0	45	0.0	-33.19	383.06	10.27	-22.92
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014761	0	44	0.0	-26.81	357.71	9.98	-16.83
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012014762	0	42	0.0	-32.01	352.36	7.68	-24.33
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012014763	0	41	0.0	-28.90	352.52	7.80	-21.10
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012014764	0	37	0.0	-34.96	330.38	7.15	-27.81
COC1=CC(OC)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012014765	0	43	0.0	-30.77	371.60	7.08	-23.69
COC1=CC(F)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012014766	0	43	0.0	-28.48	371.02	7.54	-20.94
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(Cl)=C1	REAL300012014767	0	38	0.0	-24.72	341.90	9.46	-15.26
CCC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014768	0	41	0.0	-28.27	349.36	9.68	-18.59
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014769	0	48	0.0	-30.25	405.57	10.75	-19.50
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012014770	0	39	0.0	-32.83	341.53	7.56	-25.27
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012014771	0	42	0.0	-27.05	348.72	10.12	-16.93
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014772	0	39	0.0	-29.34	341.24	7.74	-21.60
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012014773	0	48	0.0	-28.04	395.39	10.01	-18.03
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012014774	0	37	0.0	-32.43	337.73	8.03	-24.40
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012014775	0	39	0.0	-30.89	334.26	6.89	-24.00
CCC1=C2OC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CC2=CC=C1	REAL300012014776	0	44	0.0	-32.88	378.55	10.32	-22.56
C=CCCN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N=N1	REAL300012014777	0	41	0.0	-37.00	358.14	6.94	-30.06
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012014778	0	42	0.0	-29.61	361.02	8.35	-21.26
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012014779	0	43	0.0	-28.00	373.71	9.35	-18.65
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012014780	0	45	0.0	-28.67	370.59	9.05	-19.62
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012014781	0	39	0.0	-28.91	352.12	8.05	-20.86
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012014782	0	39	0.0	-29.79	352.08	8.01	-21.78
COC1=NC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014783	0	38	0.0	-26.78	333.54	5.13	-21.65
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012014784	0	48	0.0	-28.60	392.02	11.50	-17.10
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300012014785	0	45	0.0	-30.42	387.30	7.11	-23.31
COCC1=CSC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014786	0	39	0.0	-29.40	351.15	7.11	-22.29
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012014787	0	41	0.0	-28.39	348.65	6.73	-21.66
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012014788	0	35	0.0	-33.02	338.41	8.44	-24.58
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012014789	0	35	0.0	-28.61	328.38	7.61	-21.00
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012014790	0	35	0.0	-24.79	328.19	8.39	-16.40
CN(C)C1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=CC(F)=C1F	REAL300012014791	0	43	0.0	-32.38	366.12	8.31	-24.07
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012014792	0	35	0.0	-27.79	333.00	8.78	-19.01
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012014793	0	47	0.0	-32.37	391.79	7.96	-24.41
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012014794	0	43	0.0	-27.79	371.87	7.84	-19.95
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014795	0	49	0.0	-31.13	409.46	10.10	-21.03
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012014796	0	35	0.0	-28.70	323.59	8.43	-20.27
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012014797	0	42	0.0	-31.06	375.99	8.65	-22.41
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OC1CC1	REAL300012014798	0	47	0.0	-32.71	397.55	9.23	-23.48
CCCN1N=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014799	0	41	0.0	-27.90	344.00	7.42	-20.48
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014800	0	38	0.0	-34.30	349.76	6.84	-27.46
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014801	0	49	0.0	-31.58	407.20	8.49	-23.09
CCCC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014802	0	41	0.0	-26.39	361.56	9.71	-16.68
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012014803	0	42	0.0	-29.18	372.97	10.90	-18.28
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012014804	0	48	0.0	-27.93	400.44	10.48	-17.45
CC(C)C1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014805	0	44	0.0	-27.68	366.66	10.24	-17.44
CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(Cl)=N1	REAL300012014806	0	35	0.0	-33.24	325.10	6.51	-26.73
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012014807	0	51	0.0	-29.73	408.46	10.28	-19.45
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012014808	0	48	0.0	-28.54	398.84	11.80	-16.74
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=NC=C1Br	REAL300012014809	0	37	0.0	-32.48	342.58	7.71	-24.77
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012014810	0	36	0.0	-29.12	334.06	5.97	-23.15
CN1C=C(C2=NC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CS2)C=N1	REAL300012014811	0	41	0.0	-36.76	377.27	6.94	-29.82
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1Cl	REAL300012014812	0	39	0.0	-31.49	352.00	8.10	-23.39
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012014813	0	45	0.0	-29.68	377.15	8.82	-20.86
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012014814	0	41	0.0	-38.25	364.93	8.17	-30.08
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012014815	0	41	0.0	-29.60	351.79	9.68	-19.92
CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(Br)=N1	REAL300012014816	0	35	0.0	-32.18	329.14	6.57	-25.61
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012014817	0	38	0.0	-25.07	332.60	8.98	-16.09
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014818	0	42	0.0	-36.15	362.56	7.21	-28.94
CN1N=CC2=CC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CN=C21	REAL300012014819	0	40	0.0	-35.96	350.77	7.38	-28.58
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012014820	0	34	0.0	-27.34	328.13	7.05	-20.29
COC1=CC(Cl)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012014821	0	43	0.0	-27.09	378.34	7.97	-19.12
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012014822	0	41	0.0	-31.67	368.75	10.14	-21.53
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014823	0	45	0.0	-29.85	371.96	8.34	-21.51
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C(C)N1	REAL300012014824	0	48	0.0	-28.46	405.94	8.67	-19.79
CC1=C(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CS1	REAL300012014825	0	38	0.0	-26.66	330.19	8.49	-18.17
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012014826	0	34	0.0	-34.16	325.38	6.98	-27.18
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(Br)SC=C1	REAL300012014827	0	32	0.0	-27.55	315.47	8.01	-19.54
CCOC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C(F)C=C1OC	REAL300012014828	0	46	0.0	-28.28	392.88	8.47	-19.81
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012014829	0	41	0.0	-29.07	354.29	10.52	-18.55
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CN=C1Br	REAL300012014830	0	34	0.0	-31.42	315.51	6.99	-24.43
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012014831	0	39	0.0	-34.22	357.54	8.17	-26.05
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014832	0	45	0.0	-29.12	382.10	9.28	-19.84
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014833	0	42	0.0	-30.12	364.22	8.61	-21.51
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012014834	0	49	0.0	-35.78	403.77	9.36	-26.42
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012014835	0	39	0.0	-35.31	351.28	7.84	-27.47
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014836	0	48	0.0	-28.50	388.17	9.50	-19.00
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014837	0	38	0.0	-26.40	334.48	9.33	-17.07
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C(F)C=C1C	REAL300012014838	0	42	0.0	-26.30	361.87	8.38	-17.92
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=C1Br	REAL300012014839	0	41	0.0	-26.23	356.72	9.98	-16.25
CC1=CC=NC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1Br	REAL300012014840	0	37	0.0	-25.18	334.89	7.40	-17.78
COCCC1=NC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014842	0	41	0.0	-30.49	369.65	6.07	-24.42
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012014843	1	36	0.0	-29.95	328.72	5.61	-24.34
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014844	0	43	0.0	-31.40	371.33	7.99	-23.41
CCN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012014845	0	48	0.0	-30.67	407.69	10.29	-20.38
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012014846	0	43	0.0	-27.88	353.99	8.27	-19.61
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1C	REAL300012014847	0	51	0.0	-26.02	405.90	9.38	-16.64
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012014848	0	37	0.0	-39.10	334.23	8.80	-30.30
CC1=C(Br)C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014849	0	35	0.0	-28.63	340.35	8.86	-19.77
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012014850	0	40	0.0	-29.41	341.72	8.52	-20.89
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012014851	0	48	0.0	-29.65	400.72	10.06	-19.59
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012014852	0	39	0.0	-32.83	342.51	6.67	-26.16
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014853	0	42	0.0	-28.16	361.79	8.55	-19.61
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012014854	0	40	0.0	-31.91	345.41	9.47	-22.44
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014855	0	43	0.0	-34.94	367.02	10.01	-24.93
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(F)=C1OC	REAL300012014856	0	43	0.0	-36.62	374.50	7.58	-29.04
COC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012014857	0	41	0.0	-37.00	366.81	8.93	-28.07
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012014858	0	45	0.0	-34.78	394.43	8.67	-26.11
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012014859	0	49	0.0	-32.73	419.06	11.56	-21.17
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012014860	0	42	0.0	-28.15	368.47	8.88	-19.27
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012014861	0	34	0.0	-26.96	319.51	6.95	-20.01
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014862	0	51	0.0	-28.49	421.73	11.29	-17.20
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014863	0	42	0.0	-30.89	361.42	9.79	-21.10
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012014864	0	38	0.0	-34.24	338.73	7.10	-27.14
CCCC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014866	0	44	0.0	-28.06	370.85	10.47	-17.59
CC1=C2C=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])C=NC2=NN1	REAL300012014867	0	40	0.0	-37.27	349.53	6.77	-30.50
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014868	0	43	0.0	-37.28	380.03	5.03	-32.25
CN1N=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012014869	0	41	0.0	-27.11	355.56	8.20	-18.91
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012014870	0	38	0.0	-32.38	334.65	6.97	-25.41
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012014870	1	38	0.0	-27.16	333.56	6.88	-20.28
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014871	0	35	0.0	-32.02	339.08	7.57	-24.45
CCC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014872	0	38	0.0	-26.94	341.38	8.98	-17.96
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012014873	0	40	0.0	-25.32	340.89	8.52	-16.80
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012014874	0	41	0.0	-31.38	351.99	9.24	-22.14
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014875	0	55	0.0	-29.29	429.58	10.39	-18.90
CCC1=NC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014876	0	37	0.0	-29.51	335.95	7.00	-22.51
COC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])SC=C1	REAL300012014877	0	36	0.0	-27.02	327.92	6.76	-20.26
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012014878	0	41	0.0	-34.91	363.95	6.59	-28.32
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CSC=C1Cl	REAL300012014879	0	32	0.0	-25.12	312.45	7.75	-17.37
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014880	0	40	0.0	-34.19	363.03	7.49	-26.70
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014881	0	46	0.0	-32.52	402.79	8.72	-23.80
CCCC(C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012014882	0	47	0.0	-30.03	383.72	10.88	-19.15
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012014883	0	40	0.0	-26.84	361.46	9.22	-17.62
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1CC2CCC1C2	REAL300012014884	0	42	0.0	-28.70	331.75	8.90	-19.80
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)N=C1	REAL300012014885	0	34	0.0	-32.51	307.73	6.41	-26.10
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012014886	0	35	0.0	-31.70	336.48	8.59	-23.11
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1(C(F)F)CC1	REAL300012014887	0	35	0.0	-28.99	306.12	7.88	-21.11
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014888	0	45	0.0	-32.18	390.04	10.92	-21.26
CC1=CN=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N1C	REAL300012014889	0	38	0.0	-33.59	326.76	7.17	-26.42
CC(C)C1CCC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])CC1	REAL300012014890	0	50	0.0	-28.79	377.67	10.10	-18.69
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012014891	0	38	0.0	-32.90	365.51	9.62	-23.28
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014892	0	46	0.0	-32.37	393.11	9.65	-22.72
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014893	0	49	0.0	-31.03	406.90	9.91	-21.12
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014894	0	45	0.0	-26.42	375.45	9.01	-17.41
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012014895	0	44	0.0	-33.02	382.08	10.04	-22.98
CCC1=NOC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014896	0	37	0.0	-29.49	322.98	7.04	-22.45
CN1N=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1Cl	REAL300012014897	0	35	0.0	-27.89	326.39	6.49	-21.40
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012014898	0	37	0.0	-37.43	328.26	5.76	-31.67
COC1=CC=C(N2C=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])C=N2)C=C1	REAL300012014899	0	46	0.0	-32.38	394.76	8.82	-23.56
CC1=CN=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014900	0	37	0.0	-29.63	317.93	7.20	-22.43
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012014901	0	37	0.0	-35.97	345.03	6.26	-29.71
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012014902	0	42	0.0	-30.99	356.94	10.42	-20.57
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NC=C1Br	REAL300012014903	0	34	0.0	-28.61	313.18	6.99	-21.62
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012014904	0	38	0.0	-37.71	358.69	4.97	-32.74
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012014905	0	41	0.0	-28.79	354.82	9.04	-19.75
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012014906	0	40	0.0	-35.12	366.49	3.31	-31.81
CC(C)N1C=CN=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014908	0	41	0.0	-32.46	348.63	8.17	-24.29
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014909	0	37	0.0	-29.75	336.97	7.64	-22.11
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014910	0	38	0.0	-32.96	344.75	6.96	-26.00
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014911	0	42	0.0	-28.02	358.46	7.94	-20.08
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014912	0	45	0.0	-28.61	371.43	8.39	-20.22
CC1=NC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N1C	REAL300012014913	0	38	0.0	-32.57	326.99	7.21	-25.36
CC1=C2C=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])NC2=CC=C1	REAL300012014914	0	42	0.0	-30.01	359.31	8.84	-21.17
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012014915	0	41	0.0	-28.58	357.69	7.39	-21.19
CC1=CC=C2C=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])NC2=C1	REAL300012014916	0	42	0.0	-30.39	361.05	8.89	-21.50
CC1=NC=CN=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014917	0	36	0.0	-31.79	313.40	5.07	-26.72
CCOC1=CN=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014918	0	41	0.0	-31.20	352.75	6.65	-24.55
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012014919	0	34	0.0	-29.42	311.13	6.95	-22.47
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012014920	0	46	0.0	-31.15	382.13	6.86	-24.29
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012014921	0	38	0.0	-33.68	333.89	7.06	-26.62
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014922	0	43	0.0	-32.71	345.98	8.64	-24.07
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NC(F)=C1	REAL300012014923	0	34	0.0	-35.10	307.78	6.42	-28.68
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012014924	0	39	0.0	-31.45	339.13	8.38	-23.07
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012014925	0	38	0.0	-37.82	338.23	5.77	-32.05
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012014926	0	37	0.0	-32.08	335.89	7.33	-24.75
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014927	0	44	0.0	-31.01	379.60	8.67	-22.34
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012014928	0	45	0.0	-41.18	382.23	5.80	-35.38
COC1=CN=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1C	REAL300012014929	0	41	0.0	-29.31	344.86	6.38	-22.93
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012014930	0	48	0.0	-31.26	397.81	11.41	-19.85
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012014931	0	45	0.0	-31.74	382.76	5.88	-25.86
CCCN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N=N1	REAL300012014932	0	40	0.0	-38.29	347.48	6.46	-31.83
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014933	0	43	0.0	-27.75	365.40	8.37	-19.38
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012014934	0	39	0.0	-27.49	339.16	8.94	-18.55
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012014935	0	40	0.0	-38.06	353.88	8.69	-29.37
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012014936	0	48	0.0	-31.83	394.70	11.31	-20.52
CC1=NSC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014937	0	34	0.0	-29.55	314.32	6.70	-22.85
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014938	0	40	0.0	-37.95	361.97	3.25	-34.70
CCN1N=CN=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014939	0	37	0.0	-26.17	319.86	7.42	-18.75
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012014940	0	38	0.0	-29.53	336.47	5.60	-23.93
CCC1=CNC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012014941	0	38	0.0	-33.74	328.39	6.35	-27.39
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012014942	0	44	0.0	-24.40	357.79	8.69	-15.71
CC1=NN(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1Cl	REAL300012014943	0	38	0.0	-25.90	344.59	6.87	-19.03
CN1C=CC(C2=NC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CS2)=N1	REAL300012014944	0	41	0.0	-30.98	376.05	6.73	-24.25
CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012014945	0	48	0.0	-29.20	395.76	9.24	-19.96
CC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1Br	REAL300012014946	0	38	0.0	-27.29	337.14	9.26	-18.03
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012014947	0	43	0.0	-29.55	360.15	8.95	-20.60
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014948	0	45	0.0	-32.92	380.33	8.18	-24.74
CCC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(Cl)=NN1	REAL300012014949	0	38	0.0	-30.94	343.68	6.40	-24.54
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012014950	0	39	0.0	-26.06	354.16	7.25	-18.81
CCC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=NO1	REAL300012014951	0	40	0.0	-27.34	340.31	7.85	-19.49
CCN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N=N1	REAL300012014952	0	37	0.0	-29.70	324.65	5.61	-24.09
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012014953	0	47	0.0	-28.58	378.20	9.46	-19.12
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012014954	0	50	0.0	-23.28	392.70	9.98	-13.30
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])O1	REAL300012014955	0	39	0.0	-30.92	341.23	7.79	-23.13
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012014956	0	34	0.0	-36.29	333.42	6.46	-29.83
CCN1C=NC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014957	0	38	0.0	-27.41	330.35	8.42	-18.99
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CN=C1F	REAL300012014958	0	37	0.0	-34.29	328.10	7.03	-27.26
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014959	0	37	0.0	-31.68	322.16	7.06	-24.62
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012014960	0	38	0.0	-32.44	345.67	9.21	-23.23
COC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012014961	0	44	0.0	-33.60	377.31	9.45	-24.15
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012014962	0	42	0.0	-28.82	348.76	8.12	-20.70
CC1=C(Cl)C=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1Cl	REAL300012014963	0	38	0.0	-29.42	352.38	9.73	-19.69
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014964	0	36	0.0	-31.09	341.03	9.26	-21.83
CC1CC2=CC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CC=C2O1	REAL300012014965	0	43	0.0	-30.30	363.35	8.83	-21.47
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012014966	0	38	0.0	-30.96	337.37	5.78	-25.18
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012014967	0	40	0.0	-31.40	343.51	8.11	-23.29
CSCC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014968	0	42	0.0	-30.53	373.88	10.25	-20.28
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012014969	0	45	0.0	-29.62	378.68	9.06	-20.56
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014970	0	43	0.0	-29.64	360.82	5.82	-23.82
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014971	0	42	0.0	-29.07	352.37	7.70	-21.37
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012014972	0	42	0.0	-28.63	356.54	8.16	-20.47
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012014973	0	42	0.0	-29.53	354.63	8.03	-21.50
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014974	0	48	0.0	-34.88	408.85	9.81	-25.07
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014975	0	45	0.0	-29.03	390.08	9.23	-19.80
COC1=CC=C(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014976	0	42	0.0	-29.89	352.11	8.26	-21.63
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=C21	REAL300012014977	0	41	0.0	-29.81	344.02	9.52	-20.29
CCC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014978	0	41	0.0	-25.96	336.44	9.41	-16.55
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014979	0	45	0.0	-35.34	376.45	8.12	-27.22
CC1=CC(F)=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012014980	0	38	0.0	-28.71	334.29	8.98	-19.73
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=C1C	REAL300012014981	0	44	0.0	-26.73	353.99	9.93	-16.80
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014982	0	45	0.0	-34.10	383.57	7.41	-26.69
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014983	0	47	0.0	-24.34	347.78	10.09	-14.25
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012014984	0	45	0.0	-31.75	363.81	8.68	-23.07
COC1=CC=C2SC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CC2=C1	REAL300012014985	0	42	0.0	-30.76	372.55	9.10	-21.66
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012014986	0	38	0.0	-30.29	335.91	7.96	-22.33
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014987	0	51	0.0	-33.73	416.61	10.02	-23.71
CCN1CCC2=CC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012014988	0	47	0.0	-29.16	385.77	8.87	-20.29
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012014989	0	48	0.0	-35.14	400.63	9.22	-25.92
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=NN1C(C)C	REAL300012014990	0	44	0.0	-28.51	369.05	8.01	-20.50
CSC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300012014991	0	39	0.0	-32.76	361.69	9.72	-23.04
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012014992	0	45	0.0	-28.11	373.49	10.87	-17.24
CCOC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=N1	REAL300012014993	0	41	0.0	-30.05	355.41	5.89	-24.16
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1C1CC1	REAL300012014994	0	45	0.0	-27.72	372.90	10.88	-16.84
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])C(C)=C2)C=C1	REAL300012014995	0	48	0.0	-33.70	399.22	10.48	-23.22
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])O2)N1	REAL300012014996	0	42	0.0	-31.75	375.06	7.04	-24.71
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])O1	REAL300012014997	0	36	0.0	-28.16	320.19	6.83	-21.33
COCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])O1	REAL300012014998	0	43	0.0	-30.51	376.99	7.05	-23.46
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012014999	0	47	0.0	-28.31	391.21	8.68	-19.63
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012015000	0	38	0.0	-29.16	338.78	7.00	-22.16
CCN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012015001	0	41	0.0	-28.80	349.61	7.53	-21.27
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012015002	0	51	0.0	-26.31	414.04	12.74	-13.57
CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012015003	0	42	0.0	-32.10	362.46	8.27	-23.83
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015004	0	47	0.0	-32.62	401.18	7.72	-24.90
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015005	0	42	0.0	-29.08	357.71	7.93	-21.15
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015006	0	45	0.0	-33.37	377.32	11.17	-22.20
CC(C)C1=NOC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015007	0	40	0.0	-29.14	343.84	7.57	-21.57
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012015008	0	39	0.0	-25.44	354.38	6.92	-18.52
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012015009	0	45	0.0	-30.54	378.75	4.70	-25.84
COC1=NC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1F	REAL300012015010	0	38	0.0	-27.68	338.28	5.04	-22.64
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012015011	0	35	0.0	-37.48	325.17	8.30	-29.18
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012015012	0	47	0.0	-28.39	389.56	9.83	-18.56
CC1=C(C)SC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012015013	0	37	0.0	-30.86	333.26	6.73	-24.13
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012015014	0	44	0.0	-39.16	383.77	8.62	-30.54
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])CC1	REAL300012015015	0	55	0.0	-38.42	430.16	9.35	-29.07
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015016	0	37	0.0	-25.00	336.98	7.54	-17.46
CC1OC2=CC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])C=C2C1C	REAL300012015017	0	46	0.0	-31.21	381.20	9.40	-21.81
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OC(F)F	REAL300012015018	0	42	0.0	-28.71	365.80	8.58	-20.13
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015019	0	47	0.0	-25.89	373.68	10.63	-15.26
CN1N=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012015020	0	41	0.0	-33.74	348.98	3.32	-30.42
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012015021	0	38	0.0	-32.51	345.52	6.16	-26.35
CC(C)CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N=N1	REAL300012015022	0	43	0.0	-38.22	367.28	7.22	-31.00
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012015023	0	38	0.0	-30.98	342.30	7.48	-23.50
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012015024	0	35	0.0	-32.34	326.68	5.61	-26.73
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012015025	0	40	0.0	-29.61	343.62	8.21	-21.40
CN1C=C(Cl)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012015026	0	35	0.0	-28.14	325.91	6.45	-21.69
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=CS1	REAL300012015027	0	38	0.0	-28.49	349.08	5.28	-23.21
CSC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015028	0	39	0.0	-28.00	346.66	9.33	-18.67
CC(C)C1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])N(C)N=C1	REAL300012015029	0	44	0.0	-28.61	365.94	7.72	-20.89
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC(C)=N1	REAL300012015030	0	40	0.0	-30.74	344.57	7.70	-23.04
CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012015031	0	45	0.0	-28.34	392.33	9.49	-18.85
CCCN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012015032	0	44	0.0	-31.13	371.25	8.24	-22.89
CCN1C=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012015033	0	38	0.0	-27.97	330.87	6.83	-21.14
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012015034	0	37	0.0	-34.44	330.40	7.08	-27.36
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012015036	0	42	0.0	-27.03	372.98	10.54	-16.49
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012015037	0	43	0.0	-30.69	366.99	9.29	-21.40
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012015038	0	39	0.0	-31.62	358.02	8.06	-23.56
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012015039	0	48	0.0	-33.07	398.72	11.17	-21.90
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])C=C2)C=N1	REAL300012015040	0	48	0.0	-35.62	405.49	11.97	-23.65
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015041	0	42	0.0	-33.33	364.24	6.63	-26.70
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012015042	0	49	0.0	-27.77	401.43	12.28	-15.49
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015044	0	45	0.0	-32.79	385.73	7.47	-25.32
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012015045	0	41	0.0	-28.41	361.62	9.50	-18.91
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012015046	0	42	0.0	-29.90	352.72	7.18	-22.72
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015047	0	45	0.0	-30.93	386.52	9.44	-21.49
CCCN1C=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012015048	0	41	0.0	-27.66	352.37	7.59	-20.07
CC(C)N1C=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012015049	0	41	0.0	-27.81	350.89	7.39	-20.42
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015050	0	46	0.0	-30.81	379.19	8.79	-22.02
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012015051	0	38	0.0	-31.67	348.75	7.32	-24.35
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012015052	0	45	0.0	-26.06	378.74	10.35	-15.71
CN1C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=NC2=C1CCCC2	REAL300012015053	0	45	0.0	-33.90	369.15	8.92	-24.98
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015054	0	38	0.0	-26.39	348.25	5.47	-20.92
CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012015055	0	38	0.0	-27.30	342.39	7.06	-20.24
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012015056	0	38	0.0	-27.83	343.61	9.21	-18.62
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012015057	0	43	0.0	-28.50	354.48	8.34	-20.16
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015058	0	42	0.0	-28.28	373.20	9.06	-19.22
COC1=NN(C)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015059	0	39	0.0	-28.64	343.48	4.10	-24.54
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012015060	0	39	0.0	-32.01	347.21	5.62	-26.39
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012015061	0	42	0.0	-30.53	367.29	8.09	-22.44
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012015062	0	42	0.0	-30.63	352.05	9.18	-21.45
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012015063	0	37	0.0	-34.61	342.39	9.10	-25.51
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012015064	0	48	0.0	-31.49	391.13	9.30	-22.19
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012015065	0	42	0.0	-27.68	379.48	9.76	-17.92
CN(CCO)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300012015066	0	46	0.0	-32.21	387.36	5.86	-26.35
COC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012015067	0	51	0.0	-27.06	401.47	10.04	-17.02
CN1C=C(Br)N=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015068	0	35	0.0	-27.13	327.61	7.10	-20.03
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300012015069	0	41	0.0	-29.73	347.92	5.60	-24.13
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1O	REAL300012015070	0	43	0.0	-30.37	359.46	5.94	-24.43
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012015071	0	41	0.0	-41.00	362.37	7.39	-33.61
CN1C(=O)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012015072	0	44	0.0	-40.58	374.25	9.13	-31.45
COC1=NC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1C	REAL300012015073	0	41	0.0	-27.21	355.09	5.68	-21.53
CCCN1C=NC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015074	0	41	0.0	-29.40	342.51	9.00	-20.40
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CNC1=O	REAL300012015075	0	35	0.0	-31.37	311.38	5.20	-26.17
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012015076	0	42	0.0	-37.23	364.89	8.24	-28.99
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012015077	0	48	0.0	-28.60	398.88	11.88	-16.72
CCC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=NN1CC	REAL300012015078	0	44	0.0	-29.98	364.06	8.13	-21.85
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012015079	0	35	0.0	-27.90	333.27	8.79	-19.11
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012015080	0	39	0.0	-31.52	339.37	6.75	-24.77
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012015081	0	39	0.0	-33.10	351.47	7.90	-25.20
COC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=CS1	REAL300012015082	0	36	0.0	-26.29	329.30	6.77	-19.52
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012015083	0	38	0.0	-31.96	345.46	8.09	-23.87
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015084	0	41	0.0	-29.37	360.97	9.88	-19.49
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012015085	0	41	0.0	-31.50	370.72	9.07	-22.43
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300012015086	0	42	0.0	-30.69	364.02	5.81	-24.88
CCCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1Cl	REAL300012015087	0	44	0.0	-26.41	389.22	8.64	-17.77
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])S1	REAL300012015088	0	41	0.0	-30.40	374.44	7.62	-22.78
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012015089	0	35	0.0	-27.72	325.02	8.48	-19.24
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012015090	0	42	0.0	-30.41	373.36	10.72	-19.69
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015091	0	44	0.0	-31.17	369.75	7.12	-24.05
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012015092	0	41	0.0	-29.10	360.07	10.77	-18.33
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012015093	0	52	0.0	-28.73	416.03	11.09	-17.64
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015094	0	42	0.0	-26.68	350.09	9.99	-16.69
CCN1CCCC2=CC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012015095	0	50	0.0	-28.42	395.41	9.26	-19.16
COCC1=CN=C(OC)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015096	0	45	0.0	-29.84	385.50	4.83	-25.01
CN1N=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1Br	REAL300012015097	0	35	0.0	-27.38	330.50	6.56	-20.82
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012015098	0	39	0.0	-31.52	337.51	9.55	-21.97
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012015099	0	38	0.0	-31.31	334.27	6.38	-24.93
COCC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015100	0	42	0.0	-27.51	351.43	8.07	-19.44
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012015101	0	39	0.0	-31.14	362.87	9.71	-21.43
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012015102	0	48	0.0	-31.89	400.97	9.03	-22.86
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012015103	0	43	0.0	-29.65	360.18	8.34	-21.31
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012015104	0	39	0.0	-33.89	342.23	3.56	-30.33
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012015105	0	41	0.0	-30.74	366.31	10.37	-20.37
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012015106	0	41	0.0	-34.21	360.23	6.45	-27.76
COC1=CC=C(F)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1OC	REAL300012015107	0	43	0.0	-28.24	373.18	7.62	-20.62
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012015108	0	38	0.0	-35.05	333.85	7.83	-27.22
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012015109	0	42	0.0	-26.21	358.71	6.16	-20.05
C=CC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012015110	0	39	0.0	-28.33	336.73	9.37	-18.96
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012015111	0	49	0.0	-31.19	407.39	10.64	-20.55
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015112	0	41	0.0	-33.19	347.00	9.76	-23.43
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC=C1OCCO	REAL300012015113	0	47	0.0	-36.28	399.76	5.33	-30.95
CCN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012015114	0	45	0.0	-31.54	384.48	9.10	-22.44
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1OCCO	REAL300012015115	0	47	0.0	-34.78	398.45	5.29	-29.49
CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012015116	0	45	0.0	-28.79	388.01	7.02	-21.77
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015117	0	43	0.0	-34.61	355.44	8.06	-26.55
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012015118	0	40	0.0	-32.55	347.47	8.73	-23.82
CC1=CC2=CC=CC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=C2O1	REAL300012015119	0	41	0.0	-31.90	355.70	9.40	-22.50
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012015120	0	38	0.0	-37.86	341.65	9.45	-28.41
COC1=CSC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1OC	REAL300012015121	0	40	0.0	-29.32	359.22	6.29	-23.03
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012015122	0	41	0.0	-30.17	352.49	8.43	-21.74
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])SC=C1	REAL300012015123	0	38	0.0	-30.26	349.89	4.92	-25.34
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015124	0	38	0.0	-36.78	350.28	3.84	-32.94
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012015125	0	38	0.0	-27.01	349.92	9.31	-17.70
CC(C)OC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012015126	0	45	0.0	-34.37	381.99	9.18	-25.19
CCN1C=C(Cl)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012015127	0	38	0.0	-28.52	348.77	7.35	-21.17
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012015128	0	35	0.0	-28.40	334.36	8.90	-19.50
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012015129	0	38	0.0	-29.60	339.94	9.22	-20.38
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012015130	0	41	0.0	-25.92	356.15	10.53	-15.39
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015131	0	38	0.0	-35.99	360.02	4.95	-31.04
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012015132	0	32	0.0	-28.29	313.47	7.88	-20.41
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012015133	0	45	0.0	-31.86	375.50	8.82	-23.04
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012015134	0	42	0.0	-32.08	383.35	10.02	-22.06
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015135	0	48	0.0	-28.48	395.43	9.43	-19.05
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012015136	0	38	0.0	-32.46	341.71	6.97	-25.49
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015137	0	45	0.0	-31.14	388.48	8.95	-22.19
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012015138	0	38	0.0	-36.33	347.17	9.73	-26.60
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012015139	0	34	0.0	-28.69	322.28	6.97	-21.72
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012015140	0	42	0.0	-32.11	371.71	9.53	-22.58
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015141	0	42	0.0	-25.69	360.30	6.34	-19.35
COC1=NC(C)=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=C1Cl	REAL300012015142	0	44	0.0	-28.07	376.18	6.40	-21.67
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015143	0	44	0.0	-27.51	380.54	8.61	-18.90
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012015144	0	42	0.0	-27.06	354.69	7.94	-19.12
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012015145	0	38	0.0	-30.02	343.86	7.12	-22.90
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012015146	0	39	0.0	-36.37	353.69	7.79	-28.58
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015147	0	51	0.0	-29.81	410.06	9.87	-19.94
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012015148	0	46	0.0	-30.31	381.89	6.90	-23.41
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015149	0	49	0.0	-29.26	400.68	7.51	-21.75
CC1=CN(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012015150	0	38	0.0	-26.98	329.36	7.26	-19.72
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012015151	0	45	0.0	-26.63	372.24	8.61	-18.02
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015152	0	37	0.0	-34.63	351.44	2.28	-32.35
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012015153	0	34	0.0	-25.05	330.59	7.27	-17.78
CC1=NSC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015154	0	34	0.0	-29.64	308.64	6.57	-23.07
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015155	0	48	0.0	-28.80	393.13	9.37	-19.43
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012015156	0	38	0.0	-33.79	330.79	9.26	-24.53
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1Br	REAL300012015157	0	39	0.0	-30.65	350.03	8.13	-22.52
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012015158	0	38	0.0	-36.48	332.72	6.96	-29.52
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012015159	0	35	0.0	-27.82	333.48	8.87	-18.95
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015160	0	38	0.0	-26.86	325.74	8.93	-17.93
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])=C2)C=N1	REAL300012015161	0	45	0.0	-34.71	387.91	9.58	-25.13
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012015162	0	45	0.0	-39.56	394.33	10.76	-28.80
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015163	0	38	0.0	-28.41	341.75	9.51	-18.90
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015164	0	40	0.0	-30.59	357.56	8.15	-22.44
COC1=NC2=CC=C(C[NH2+]C(CC3=CN=CC(Cl)=C3)C(=O)[O-])C=C2S1	REAL300012015165	0	41	0.0	-32.10	370.88	6.07	-26.03
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012015166	0	34	0.0	-33.75	322.82	6.98	-26.77
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012015167	0	35	0.0	-25.54	341.23	9.30	-16.24
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015168	0	37	0.0	-29.05	332.41	7.51	-21.54
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015169	0	51	0.0	-28.21	419.55	10.70	-17.51
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015170	0	39	0.0	-29.82	352.70	8.06	-21.76
COC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CC(F)=C1F	REAL300012015171	0	39	0.0	-36.35	349.81	7.72	-28.63
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015172	0	41	0.0	-27.36	350.86	6.47	-20.89
CC(C)N1C=NC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015173	0	41	0.0	-26.68	349.96	8.81	-17.87
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015174	0	42	0.0	-29.85	368.67	5.84	-24.01
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012015175	0	41	0.0	-28.51	357.05	8.69	-19.82
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1C	REAL300012015176	0	45	0.0	-32.91	390.50	8.08	-24.83
CC(C)OC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])O1	REAL300012015177	0	42	0.0	-31.50	363.68	8.58	-22.92
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015178	0	41	0.0	-26.49	357.01	9.81	-16.68
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012015179	0	38	0.0	-27.42	347.85	7.43	-19.99
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015180	0	36	0.0	-34.56	333.72	8.77	-25.79
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012015181	0	51	0.0	-27.53	407.47	12.09	-15.44
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015182	0	43	0.0	-33.81	365.88	8.91	-24.90
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])SC(Br)=C1	REAL300012015183	0	35	0.0	-28.32	336.03	8.68	-19.64
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015184	0	45	0.0	-28.25	373.38	8.65	-19.60
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012015185	0	41	0.0	-31.67	360.09	7.63	-24.04
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012015186	0	43	0.0	-33.67	376.98	8.63	-25.04
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015187	0	44	0.0	-29.84	390.15	8.62	-21.22
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015188	0	42	0.0	-30.74	368.66	7.53	-23.21
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012015189	0	48	0.0	-30.45	410.56	12.82	-17.63
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012015190	0	51	0.0	-33.83	427.43	9.61	-24.22
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012015191	0	41	0.0	-29.61	349.88	5.63	-23.98
CCN(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012015192	0	49	0.0	-26.91	394.53	10.30	-16.61
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012015193	0	32	0.0	-26.30	329.25	8.37	-17.93
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015194	0	56	0.0	-25.70	434.04	10.35	-15.35
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=NS1	REAL300012015195	0	34	0.0	-29.33	309.18	6.68	-22.65
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015196	0	46	0.0	-27.51	385.50	7.67	-19.84
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012015197	0	38	0.0	-30.50	334.45	9.07	-21.43
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012015198	0	38	0.0	-30.03	343.37	9.69	-20.34
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012015199	0	44	0.0	-32.08	375.02	9.95	-22.13
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC=C1CO	REAL300012015200	0	39	0.0	-28.60	331.40	5.73	-22.87
CC1=NSC(C)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015201	0	37	0.0	-28.06	326.95	7.02	-21.04
CC(C)(C)C1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=NO1	REAL300012015202	0	43	0.0	-26.72	350.07	8.23	-18.49
CC1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1C(F)(F)F	REAL300012015203	0	41	0.0	-33.34	350.54	9.89	-23.45
C=CCN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300012015204	0	39	0.0	-33.44	344.93	7.52	-25.92
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012015205	0	38	0.0	-36.40	334.04	7.00	-29.40
CCC(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012015206	0	47	0.0	-27.49	384.28	10.87	-16.62
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012015207	0	40	0.0	-34.37	373.54	8.63	-25.74
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012015208	0	42	0.0	-26.50	367.39	6.90	-19.60
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015209	0	48	0.0	-34.48	407.24	10.87	-23.61
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=N1	REAL300012015210	0	40	0.0	-33.48	355.55	8.26	-25.22
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012015211	0	45	0.0	-26.96	363.11	10.71	-16.25
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015212	0	42	0.0	-32.22	366.31	10.21	-22.01
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012015213	0	38	0.0	-36.13	349.95	9.27	-26.86
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012015214	0	41	0.0	-37.20	360.14	8.27	-28.93
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012015215	0	44	0.0	-28.09	361.27	10.94	-17.15
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015216	0	53	0.0	-29.79	429.68	9.84	-19.95
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015217	0	43	0.0	-26.49	366.55	7.69	-18.80
CC1=NC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C(C)S1	REAL300012015218	0	37	0.0	-24.20	330.09	6.66	-17.54
O=C([O-])C(CC1=CN=CC(Cl)=C1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012015219	0	48	0.0	-31.40	395.37	5.36	-26.04
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015220	0	47	0.0	-28.81	396.01	6.93	-21.88
CCCN1N=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1C	REAL300012015221	0	44	0.0	-28.75	370.80	8.10	-20.65
CC1=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012015222	0	43	0.0	-25.19	361.14	9.35	-15.84
CC1=CC(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012015223	0	44	0.0	-34.43	379.35	9.61	-24.82
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012015224	0	42	0.0	-31.38	366.90	8.39	-22.99
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012015225	0	44	0.0	-27.95	368.93	8.22	-19.73
CN1C=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012015226	0	45	0.0	-28.43	376.80	8.71	-19.72
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CN=CC(Cl)=C2)C(=O)[O-])O1	REAL300012015227	1	43	0.0	-28.65	365.66	5.74	-22.91
CC1=CC=C(N2C=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012015228	0	59	0.0	-31.51	436.18	10.92	-20.59
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012015229	0	42	0.0	-38.24	328.14	6.74	-31.50
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012015230	0	55	0.0	-38.40	431.28	9.87	-28.53
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015231	0	47	0.0	-35.79	390.70	8.55	-27.24
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012015232	0	54	0.0	-32.68	426.11	11.23	-21.45
CC(C)(C)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015233	0	49	0.0	-33.68	367.17	8.82	-24.86
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012015234	0	44	0.0	-31.23	345.43	6.46	-24.77
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Br)O1	REAL300012015235	0	34	0.0	-28.02	289.83	5.86	-22.16
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=C2)C=C1	REAL300012015236	0	55	0.0	-42.83	432.12	7.97	-34.86
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015237	0	47	0.0	-35.27	366.56	8.22	-27.05
N#CCCN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012015238	0	51	0.0	-42.55	408.10	9.02	-33.53
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OC(F)F	REAL300012015239	0	45	0.0	-39.43	359.27	6.18	-33.25
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012015240	0	53	0.0	-32.55	419.21	9.39	-23.16
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1	REAL300012015241	0	44	0.0	-36.76	368.55	8.89	-27.87
CCCOC1=CC=C(Br)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015242	0	47	0.0	-34.45	383.42	8.37	-26.08
CCOC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OC	REAL300012015243	0	48	0.0	-36.91	371.37	6.82	-30.09
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012015244	0	51	0.0	-37.49	400.54	10.01	-27.48
CCCCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015245	0	53	0.0	-34.93	406.82	9.09	-25.84
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012015246	0	46	0.0	-39.66	380.88	9.14	-30.52
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012015247	0	46	0.0	-41.74	375.44	8.93	-32.81
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1Br	REAL300012015248	0	41	0.0	-35.10	340.89	6.46	-28.64
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015249	0	47	0.0	-34.65	357.22	7.54	-27.11
CCCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015250	0	54	0.0	-36.99	414.57	8.20	-28.79
CCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015251	0	51	0.0	-36.69	392.87	7.62	-29.07
C=CCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015252	0	49	0.0	-37.55	385.59	7.44	-30.11
CCCCCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015253	0	60	0.0	-36.89	457.57	9.76	-27.13
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012015254	0	44	0.0	-38.63	367.94	8.91	-29.72
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012015255	0	44	0.0	-40.24	368.06	8.95	-31.29
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1	REAL300012015256	0	44	0.0	-34.76	373.98	9.09	-25.67
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012015257	0	44	0.0	-35.09	371.58	9.68	-25.41
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012015258	0	47	0.0	-41.65	373.55	8.28	-33.37
CCC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012015259	0	46	0.0	-35.03	354.43	8.57	-26.46
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012015260	0	46	0.0	-48.40	375.31	9.68	-38.72
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012015261	0	43	0.0	-36.95	358.27	7.23	-29.72
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012015262	0	41	0.0	-38.55	335.28	6.52	-32.03
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012015263	0	41	0.0	-35.63	345.71	8.08	-27.55
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012015264	0	44	0.0	-30.44	349.54	4.35	-26.09
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(Cl)=C1	REAL300012015265	0	41	0.0	-29.38	331.95	6.42	-22.96
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012015266	0	41	0.0	-36.12	335.31	6.41	-29.71
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012015267	0	46	0.0	-42.43	387.00	9.95	-32.48
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012015268	0	46	0.0	-46.14	387.59	10.03	-36.11
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012015269	0	44	0.0	-32.82	352.22	6.54	-26.28
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015270	0	47	0.0	-31.06	367.24	7.16	-23.90
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012015271	0	41	0.0	-29.77	336.06	5.69	-24.08
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015272	0	48	0.0	-32.76	376.61	5.81	-26.95
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012015273	0	40	0.0	-34.64	324.67	7.95	-26.69
CCOC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012015274	0	56	0.0	-32.37	415.46	6.53	-25.84
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012015275	0	43	0.0	-36.41	335.38	7.10	-29.31
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])O2)C=C1	REAL300012015276	0	47	0.0	-36.56	368.66	8.94	-27.62
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2CCOC2)C(=O)[O-])O1	REAL300012015277	0	44	0.0	-30.70	352.08	5.62	-25.08
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012015278	0	43	0.0	-42.27	341.21	4.68	-37.59
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012015279	0	50	0.0	-34.07	391.21	5.66	-28.41
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012015280	0	52	0.0	-38.41	398.96	7.27	-31.14
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012015281	0	44	0.0	-35.58	361.26	9.22	-26.36
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012015282	0	42	0.0	-29.57	330.81	7.02	-22.55
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012015283	0	50	0.0	-34.38	388.39	8.13	-26.25
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015284	0	46	0.0	-31.49	360.17	5.61	-25.88
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012015285	0	44	0.0	-38.21	349.33	7.71	-30.50
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012015286	0	43	0.0	-41.54	342.48	8.98	-32.56
CC(C)N1N=CC2=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=C(Cl)N=C21	REAL300012015287	0	48	0.0	-31.77	388.16	7.71	-24.06
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012015288	0	44	0.0	-29.28	372.13	10.30	-18.98
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012015289	0	54	0.0	-39.99	426.16	8.10	-31.89
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012015290	0	44	0.0	-30.13	364.58	9.95	-20.18
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012015291	0	40	0.0	-31.78	341.22	8.12	-23.66
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012015292	0	37	0.0	-29.49	308.88	7.20	-22.29
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012015293	0	37	0.0	-36.32	314.68	7.30	-29.02
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012015294	0	40	0.0	-35.30	331.34	7.42	-27.88
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012015295	0	37	0.0	-29.17	320.19	7.65	-21.52
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012015296	0	40	0.0	-41.16	327.07	7.88	-33.28
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012015297	0	37	0.0	-39.90	310.70	6.86	-33.04
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012015298	0	40	0.0	-38.61	334.45	7.68	-30.93
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012015299	0	40	0.0	-33.34	332.57	7.65	-25.69
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(Cl)=C1OC	REAL300012015300	0	45	0.0	-40.11	361.71	6.32	-33.79
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012015301	0	40	0.0	-36.90	328.35	8.04	-28.86
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012015302	0	37	0.0	-35.80	313.36	7.27	-28.53
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015303	0	53	0.0	-30.72	423.18	9.87	-20.85
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012015304	0	41	0.0	-33.91	346.70	6.89	-27.02
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012015305	0	44	0.0	-36.38	371.59	9.67	-26.71
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=C2)=C1	REAL300012015306	0	52	0.0	-43.08	422.77	10.31	-32.77
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012015307	0	47	0.0	-34.29	371.89	5.14	-29.15
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012015308	0	48	0.0	-39.28	390.94	7.28	-32.00
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012015309	0	50	0.0	-41.00	396.78	8.17	-32.83
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012015310	0	43	0.0	-38.36	355.49	6.48	-31.88
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012015311	0	47	0.0	-42.34	391.51	8.69	-33.65
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015312	0	46	0.0	-30.90	367.99	6.53	-24.37
COCCOC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015313	0	48	0.0	-40.09	374.30	6.11	-33.98
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1Cl	REAL300012015314	0	41	0.0	-35.30	336.50	6.35	-28.95
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012015315	0	42	0.0	-42.34	347.27	5.30	-37.04
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015316	0	49	0.0	-29.83	372.20	8.08	-21.75
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=N1	REAL300012015317	0	53	0.0	-45.54	409.08	6.43	-39.11
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012015318	0	44	0.0	-41.60	363.36	7.28	-34.32
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012015319	0	43	0.0	-37.61	333.56	5.86	-31.75
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012015320	0	46	0.0	-36.71	350.93	6.60	-30.11
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015321	0	49	0.0	-40.75	381.54	8.51	-32.24
CCCOC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015322	0	47	0.0	-37.98	363.49	7.68	-30.30
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012015323	0	44	0.0	-34.68	356.68	9.24	-25.44
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012015324	0	51	0.0	-38.04	384.73	8.85	-29.19
CC(C)OC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015325	0	47	0.0	-38.09	359.92	7.51	-30.58
CN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012015326	0	50	0.0	-30.68	399.84	8.50	-22.18
CC1=CC=C(C2=NC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CS2)C=C1	REAL300012015327	0	46	0.0	-26.85	373.63	8.46	-18.39
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012015328	0	51	0.0	-37.98	404.30	10.06	-27.92
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012015329	0	47	0.0	-40.39	387.40	6.80	-33.59
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1	REAL300012015330	0	47	0.0	-40.24	404.13	7.32	-32.92
CC1=CC=C(OCC2=NC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CS2)C=C1	REAL300012015331	0	50	0.0	-40.41	408.81	7.49	-32.92
COC1=CC=C(OCC2=NC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CS2)C=C1	REAL300012015332	0	51	0.0	-41.52	416.90	6.08	-35.44
CC(C)(C)C1=NC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CS1	REAL300012015333	1	45	0.0	-34.98	353.72	5.92	-29.06
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012015334	0	40	0.0	-38.34	346.85	6.23	-32.11
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012015335	0	44	0.0	-39.40	365.23	9.35	-30.05
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015336	0	51	0.0	-48.15	396.64	7.54	-40.61
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012015337	0	51	0.0	-35.13	383.02	8.89	-26.24
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015338	0	54	0.0	-33.84	417.86	7.41	-26.43
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])S2)C=C1	REAL300012015339	0	47	0.0	-34.64	376.26	9.82	-24.82
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012015340	0	43	0.0	-40.13	356.86	7.00	-33.13
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015341	0	41	0.0	-34.55	352.98	7.11	-27.44
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012015342	0	37	0.0	-29.18	324.76	7.76	-21.42
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012015343	0	37	0.0	-28.34	323.78	7.76	-20.58
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012015344	0	48	0.0	-36.75	392.90	9.48	-27.27
CCOC1=C(OC)C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015345	0	52	0.0	-39.22	404.73	6.56	-32.66
COCCCOC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015346	0	51	0.0	-39.54	395.85	6.71	-32.83
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015347	0	45	0.0	-34.45	359.45	5.65	-28.80
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(Br)=C1OC(F)F	REAL300012015348	0	41	0.0	-36.05	345.09	6.83	-29.22
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012015349	0	41	0.0	-32.86	339.61	6.60	-26.26
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012015350	0	57	0.0	-39.82	444.90	11.49	-28.33
CC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012015351	0	50	0.0	-38.75	394.14	8.21	-30.54
O=C(COC1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-])NCC1CC1	REAL300012015352	0	55	0.0	-47.25	431.89	7.95	-39.30
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])S2)C=C1	REAL300012015353	0	46	0.0	-35.15	375.74	8.32	-26.83
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012015354	0	42	0.0	-31.54	343.85	8.03	-23.51
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012015355	0	42	0.0	-38.81	336.03	7.24	-31.57
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012015356	0	42	0.0	-31.99	333.55	7.59	-24.40
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012015357	0	42	0.0	-37.65	343.55	7.58	-30.07
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012015358	0	44	0.0	-35.80	367.17	8.64	-27.16
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])O1	REAL300012015359	0	47	0.0	-36.55	374.20	9.01	-27.54
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])O2)C=C1	REAL300012015360	0	50	0.0	-38.30	394.10	9.84	-28.46
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(OC(F)F)=C1	REAL300012015361	0	45	0.0	-38.72	356.73	5.54	-33.18
COC1=CC=C2OC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CC2=C1	REAL300012015362	0	44	0.0	-39.35	348.32	6.31	-33.04
O=C([O-])C(CC1CCOC1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012015363	0	41	0.0	-34.95	334.78	8.19	-26.76
CC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012015364	0	43	0.0	-36.97	339.91	7.66	-29.31
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012015365	0	45	0.0	-36.93	353.90	8.14	-28.79
CC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1Br	REAL300012015366	0	40	0.0	-36.85	330.46	7.69	-29.16
O=C([O-])C(CC1CCOC1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012015367	0	41	0.0	-35.53	329.97	7.77	-27.76
CC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1Br	REAL300012015368	0	40	0.0	-33.44	326.50	7.56	-25.88
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012015369	0	44	0.0	-38.30	345.91	7.49	-30.81
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012015370	0	42	0.0	-36.50	343.13	6.99	-29.51
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012015371	0	41	0.0	-35.78	327.71	6.63	-29.15
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012015372	0	41	0.0	-36.35	326.38	6.42	-29.93
CC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012015373	0	45	0.0	-40.20	350.55	7.81	-32.39
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012015374	0	39	0.0	-37.54	322.84	5.98	-31.56
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])O2)C=C1	REAL300012015375	0	56	0.0	-36.18	423.37	10.57	-25.61
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015376	0	57	0.0	-30.21	418.68	9.30	-20.91
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015377	0	57	0.0	-32.39	430.42	9.76	-22.63
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=C2C)=C1	REAL300012015378	0	60	0.0	-35.52	468.47	12.25	-23.27
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1C	REAL300012015379	0	60	0.0	-38.02	459.84	12.14	-25.88
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015380	0	55	0.0	-35.67	424.27	11.22	-24.45
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015381	0	53	0.0	-32.53	424.90	9.46	-23.07
CCN(CC)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1F	REAL300012015382	0	51	0.0	-32.95	387.71	7.54	-25.41
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C(SC)C=C1OC	REAL300012015383	0	49	0.0	-36.61	383.46	6.76	-29.85
COC1=CC=C2N=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])SC2=C1	REAL300012015384	0	43	0.0	-33.62	352.62	5.31	-28.31
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015385	0	43	0.0	-30.94	354.10	7.36	-23.58
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1C#N	REAL300012015386	0	42	0.0	-46.07	340.68	6.21	-39.86
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012015387	0	41	0.0	-35.72	336.83	7.64	-28.08
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015388	0	43	0.0	-32.34	341.60	8.03	-24.31
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012015389	0	41	0.0	-38.64	337.57	6.39	-32.25
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015390	0	43	0.0	-35.98	343.36	8.20	-27.78
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012015391	0	45	0.0	-40.14	368.02	6.45	-33.69
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=CC=C1OC(F)F	REAL300012015392	0	41	0.0	-33.94	351.27	6.99	-26.95
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015393	0	53	0.0	-29.60	427.55	9.55	-20.05
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OCC(C)C	REAL300012015394	0	54	0.0	-37.92	413.18	8.10	-29.82
CCCOC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OC	REAL300012015395	0	51	0.0	-38.22	393.07	7.42	-30.80
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Br)S1	REAL300012015396	0	34	0.0	-33.78	304.33	6.42	-27.36
CCOC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012015397	0	48	0.0	-40.41	391.20	7.41	-33.00
C=CCOC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015398	0	45	0.0	-33.40	351.64	7.81	-25.59
COC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1OC(C)C	REAL300012015399	0	51	0.0	-39.62	385.78	7.88	-31.74
CCOC1=C(Cl)C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015400	0	48	0.0	-40.52	391.20	7.45	-33.07
CCCOC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=CC=C1OCC	REAL300012015401	0	54	0.0	-35.93	411.34	8.50	-27.43
CCCCOC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OC	REAL300012015402	0	54	0.0	-38.07	414.57	8.20	-29.87
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OCC	REAL300012015403	0	54	0.0	-39.63	433.23	9.13	-30.50
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015404	0	53	0.0	-34.09	421.80	10.02	-24.07
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC(F)F	REAL300012015405	0	45	0.0	-41.61	359.48	5.99	-35.62
CCOC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OC(F)F	REAL300012015406	0	48	0.0	-39.16	381.12	7.10	-32.06
CC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012015407	0	47	0.0	-38.26	367.94	7.65	-30.61
CCOC1=CC2=C(C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-])OC(C)C2	REAL300012015408	0	52	0.0	-30.99	394.03	7.26	-23.73
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC2=C1OCCO2	REAL300012015409	0	47	0.0	-38.91	364.33	5.68	-33.23
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012015410	0	46	0.0	-43.89	381.50	7.80	-36.09
CCCCN1N=C(C)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1Cl	REAL300012015411	0	49	0.0	-31.98	392.15	7.50	-24.48
CCOC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1OC(F)F	REAL300012015412	0	48	0.0	-37.52	379.48	7.14	-30.38
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012015413	0	55	0.0	-47.60	423.29	8.78	-38.82
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012015414	0	44	0.0	-34.70	354.86	9.15	-25.55
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015415	0	51	0.0	-36.36	413.03	8.09	-28.27
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015416	0	59	0.0	-36.08	437.11	10.43	-25.65
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012015417	0	44	0.0	-32.60	362.33	9.07	-23.53
CN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012015418	0	53	0.0	-34.22	397.81	8.03	-26.19
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015419	0	49	0.0	-36.39	369.78	9.58	-26.81
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1CCOC1)C(=O)[O-])=N2	REAL300012015420	1	49	0.0	-35.94	373.60	7.27	-28.67
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015421	0	43	0.0	-28.36	339.10	8.24	-20.12
CC1=C(C)C=C2OC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CC2=C1	REAL300012015422	0	46	0.0	-38.94	357.15	8.23	-30.71
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012015423	0	44	0.0	-32.12	362.53	6.99	-25.13
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012015424	0	44	0.0	-40.83	346.92	8.89	-31.94
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012015425	0	44	0.0	-40.04	355.66	8.38	-31.66
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012015426	0	43	0.0	-38.70	351.11	6.35	-32.35
CCCCC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012015427	0	52	0.0	-30.56	399.08	10.01	-20.55
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012015428	0	50	0.0	-40.89	393.91	11.05	-29.84
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012015429	0	52	0.0	-40.02	421.71	8.75	-31.27
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015430	0	50	0.0	-35.12	391.56	8.59	-26.53
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012015431	0	46	0.0	-38.98	369.54	7.14	-31.84
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300012015432	0	51	0.0	-37.65	413.75	10.48	-27.17
O=C([O-])C(CC1CCOC1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012015433	0	46	0.0	-38.63	335.32	7.26	-31.37
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012015434	0	44	0.0	-39.43	369.24	7.51	-31.92
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012015435	0	43	0.0	-45.52	367.42	7.09	-38.43
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012015436	0	43	0.0	-34.41	366.13	7.05	-27.36
CCSC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015437	0	44	0.0	-33.20	349.06	8.85	-24.35
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012015438	1	38	0.0	-30.78	320.48	4.34	-26.44
CCN1N=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C2=CC=CC=C21	REAL300012015439	0	46	0.0	-29.63	358.77	7.15	-22.48
COCCC1(C[NH2+]C(CC2CCOC2)C(=O)[O-])CCCCC1	REAL300012015440	0	53	0.0	-35.67	368.98	6.86	-28.81
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012015441	0	34	0.0	-35.40	318.69	6.80	-28.60
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012015442	0	54	0.0	-40.20	426.51	11.45	-28.75
CCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015443	0	47	0.0	-34.94	363.82	7.53	-27.41
COC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012015444	0	50	0.0	-47.03	400.80	8.84	-38.19
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012015445	0	44	0.0	-35.39	384.56	9.44	-25.95
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015446	0	50	0.0	-35.30	408.14	9.09	-26.21
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015447	0	47	0.0	-31.58	401.82	9.18	-22.40
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012015448	0	44	0.0	-34.14	352.68	8.47	-25.67
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OC(C)C	REAL300012015449	0	51	0.0	-37.23	390.61	7.48	-29.75
CCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OCC	REAL300012015450	0	54	0.0	-37.07	416.04	8.58	-28.49
CC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012015451	0	42	0.0	-35.46	330.92	7.55	-27.91
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015452	0	50	0.0	-33.08	417.37	9.08	-24.00
CC(C)OC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015453	0	47	0.0	-34.91	360.24	7.35	-27.56
CCCCCCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015454	0	59	0.0	-34.89	449.81	10.65	-24.24
CC(C[NH2+]C(CC1CCOC1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012015455	0	58	0.0	-34.95	423.88	10.86	-24.09
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Br)C=CS1	REAL300012015456	0	34	0.0	-32.55	298.82	6.26	-26.29
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012015457	0	50	0.0	-29.87	371.79	6.55	-23.32
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012015458	0	37	0.0	-29.45	314.77	7.36	-22.09
CC(C)CC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015459	0	49	0.0	-34.19	370.46	9.30	-24.89
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=C2)C=C1	REAL300012015460	0	50	0.0	-37.51	386.25	10.74	-26.77
COC1=CC=C(Br)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015461	0	41	0.0	-31.53	331.70	6.47	-25.06
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012015462	0	43	0.0	-48.55	342.54	7.10	-41.45
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012015463	0	37	0.0	-31.42	320.85	8.01	-23.41
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012015464	0	37	0.0	-34.68	311.22	6.99	-27.69
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=CO1	REAL300012015465	0	34	0.0	-34.33	291.77	5.38	-28.95
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015466	0	50	0.0	-32.34	383.07	10.46	-21.88
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012015467	0	43	0.0	-37.05	368.17	8.64	-28.41
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012015468	0	41	0.0	-38.82	328.57	6.20	-32.62
CCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OCC	REAL300012015469	0	51	0.0	-37.29	394.54	7.78	-29.51
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012015470	0	37	0.0	-31.00	311.88	7.22	-23.78
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012015471	0	40	0.0	-36.48	342.86	7.91	-28.57
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012015472	0	37	0.0	-28.67	312.46	7.31	-21.36
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012015473	0	41	0.0	-38.52	335.31	6.41	-32.11
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012015474	0	37	0.0	-30.88	313.06	7.24	-23.64
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015475	0	51	0.0	-37.05	398.87	9.72	-27.33
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012015476	0	47	0.0	-30.30	386.67	9.89	-20.41
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012015477	0	37	0.0	-41.13	311.06	7.15	-33.98
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C2=CC=CC=C12	REAL300012015478	0	47	0.0	-36.40	358.43	7.99	-28.41
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012015479	0	44	0.0	-30.45	342.89	6.25	-24.20
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012015479	1	44	0.0	-31.25	347.45	6.53	-24.72
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015480	0	43	0.0	-31.12	337.38	6.85	-24.27
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(Br)=C1O	REAL300012015481	0	42	0.0	-39.05	341.09	4.22	-34.83
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC(Br)=C1	REAL300012015482	0	34	0.0	-35.81	303.35	6.36	-29.45
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012015483	0	54	0.0	-39.19	422.37	7.75	-31.44
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300012015484	0	50	0.0	-38.83	412.11	8.74	-30.09
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012015485	0	55	0.0	-31.77	420.58	9.21	-22.56
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012015486	0	47	0.0	-37.52	364.85	10.06	-27.46
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012015487	0	50	0.0	-39.92	394.06	8.18	-31.74
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012015488	0	48	0.0	-34.08	364.29	6.54	-27.54
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012015489	0	37	0.0	-35.82	317.77	7.37	-28.45
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012015490	0	46	0.0	-31.88	358.68	8.26	-23.62
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012015491	0	46	0.0	-36.45	360.19	8.14	-28.31
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012015492	0	46	0.0	-39.32	358.74	8.27	-31.05
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015493	0	52	0.0	-33.85	383.49	7.18	-26.67
CN1CCN(C2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=C2)CC1	REAL300012015494	1	54	0.0	-34.30	400.92	5.38	-28.92
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012015495	0	46	0.0	-39.99	370.65	5.11	-34.88
CNC(=O)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015496	0	44	0.0	-40.23	347.44	4.78	-35.45
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012015497	0	44	0.0	-42.23	355.88	7.94	-34.29
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015498	0	50	0.0	-34.81	401.88	9.04	-25.77
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012015499	0	44	0.0	-41.65	366.20	8.39	-33.26
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015500	0	50	0.0	-38.55	400.05	8.81	-29.74
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1	REAL300012015501	0	44	0.0	-35.84	393.17	8.54	-27.30
CC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012015502	0	56	0.0	-38.67	436.47	9.75	-28.92
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012015503	0	44	0.0	-35.18	357.94	7.07	-28.11
CCOC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012015504	0	58	0.0	-37.82	449.38	10.47	-27.35
COC1=C2OC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CC2=CC=C1	REAL300012015505	0	44	0.0	-34.28	346.69	6.43	-27.85
CC(C)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012015506	0	48	0.0	-35.08	369.36	8.49	-26.59
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012015507	0	40	0.0	-36.74	334.37	5.66	-31.08
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015508	0	53	0.0	-36.51	409.21	8.97	-27.54
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015509	0	53	0.0	-35.53	422.88	9.57	-25.96
CCOC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OCC(C)C	REAL300012015510	0	57	0.0	-36.84	436.15	9.26	-27.58
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012015511	0	37	0.0	-30.88	317.63	7.34	-23.54
COC1=CC(Br)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015512	0	45	0.0	-29.92	363.42	6.39	-23.53
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012015513	0	37	0.0	-30.43	315.12	7.28	-23.15
COC1=CC(OC)=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015514	0	45	0.0	-32.16	346.38	5.61	-26.55
COC1=CC2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=C2C=C1	REAL300012015515	0	47	0.0	-38.38	366.43	8.04	-30.34
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=CS1	REAL300012015517	0	34	0.0	-34.35	301.01	6.34	-28.01
CCCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OCC	REAL300012015518	0	57	0.0	-35.01	432.47	9.00	-26.01
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015519	0	50	0.0	-37.73	385.62	8.71	-29.02
COC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1OC(F)F	REAL300012015520	0	45	0.0	-36.47	356.17	6.18	-30.29
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012015521	0	41	0.0	-37.36	347.54	6.94	-30.42
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012015522	0	57	0.0	-36.47	426.80	9.91	-26.56
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012015523	0	43	0.0	-47.57	341.32	5.55	-42.02
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012015525	0	37	0.0	-36.07	319.09	7.40	-28.67
CC1=CC=C(COC2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=C2)C=C1	REAL300012015526	0	54	0.0	-38.03	421.99	10.57	-27.46
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012015527	0	52	0.0	-33.81	384.63	7.96	-25.85
CCCCCCOC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015528	0	56	0.0	-37.93	427.99	10.03	-27.90
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1SC	REAL300012015529	0	45	0.0	-35.19	355.93	6.71	-28.48
N#CCCCOC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015530	0	48	0.0	-45.19	383.03	8.16	-37.03
CCCCCOC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OC	REAL300012015531	0	57	0.0	-36.11	432.11	8.86	-27.25
CCC(C)OC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OC	REAL300012015532	0	54	0.0	-35.59	406.71	7.93	-27.66
CCCCCCCOC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015533	0	59	0.0	-37.34	448.17	10.77	-26.57
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OCCCC#N	REAL300012015534	0	52	0.0	-41.31	409.97	7.81	-33.50
C=C(C)COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OC	REAL300012015535	0	52	0.0	-36.43	399.94	7.85	-28.58
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OCCC(C)C	REAL300012015536	0	57	0.0	-36.01	428.18	8.60	-27.41
C=CCC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC(OC)=C1O	REAL300012015537	0	49	0.0	-37.28	384.19	5.76	-31.52
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012015538	0	44	0.0	-36.64	346.42	6.29	-30.35
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015539	0	46	0.0	-37.96	367.52	7.58	-30.38
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015540	0	47	0.0	-34.72	389.40	5.07	-29.65
CCOC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012015541	0	51	0.0	-39.17	412.79	8.20	-30.97
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012015542	0	43	0.0	-45.14	343.88	6.32	-38.82
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012015543	1	43	0.0	-31.59	354.13	7.27	-24.32
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012015544	0	50	0.0	-36.50	385.02	5.64	-30.86
CN1C=NC2=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CC=C21	REAL300012015545	0	43	0.0	-36.57	339.15	8.05	-28.52
C=CCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1Cl	REAL300012015546	0	45	0.0	-35.52	372.38	8.10	-27.42
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012015547	0	43	0.0	-35.79	355.67	7.68	-28.11
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012015548	0	49	0.0	-29.66	377.19	6.56	-23.10
CC1(C)CC2=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CC=C2O1	REAL300012015549	0	48	0.0	-37.96	368.05	7.90	-30.06
O=C([O-])C(CC1CCOC1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012015550	1	43	0.0	-41.26	347.63	4.93	-36.33
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012015551	0	40	0.0	-37.67	343.49	6.20	-31.47
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015552	0	47	0.0	-37.22	365.12	7.05	-30.17
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012015553	0	40	0.0	-38.00	344.78	8.11	-29.89
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300012015554	0	40	0.0	-38.30	350.66	8.26	-30.04
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012015555	0	37	0.0	-28.53	322.45	7.70	-20.83
CC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(Br)=C1	REAL300012015556	0	40	0.0	-26.92	328.46	7.92	-19.00
CC(C)COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015557	0	50	0.0	-32.87	379.97	8.10	-24.77
COCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015558	0	48	0.0	-35.12	371.99	5.88	-29.24
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015559	0	52	0.0	-38.94	418.06	10.31	-28.63
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012015560	0	41	0.0	-37.10	346.05	6.82	-30.28
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012015561	0	45	0.0	-38.82	380.06	7.83	-30.99
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1Cl	REAL300012015562	0	47	0.0	-30.11	383.71	8.09	-22.02
COC1=CC2=C(C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-])OCO2	REAL300012015563	0	44	0.0	-33.91	345.16	4.51	-29.40
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012015564	0	42	0.0	-35.20	328.51	7.10	-28.10
CC(C)COC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015565	0	50	0.0	-37.77	383.60	8.38	-29.39
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012015566	0	36	0.0	-35.98	307.14	5.32	-30.66
CN1N=NC2=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CC=C21	REAL300012015567	0	42	0.0	-37.28	331.00	4.83	-32.45
CC1(C)CC2=CC=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=C2O1	REAL300012015568	0	48	0.0	-29.54	368.27	7.71	-21.83
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012015569	0	42	0.0	-36.27	347.70	7.11	-29.16
CN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012015570	0	47	0.0	-37.41	369.01	7.77	-29.64
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012015571	0	44	0.0	-36.09	350.85	7.78	-28.31
CC1=C(Br)SC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015572	0	37	0.0	-34.42	318.50	6.80	-27.62
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012015573	0	42	0.0	-37.68	347.61	7.67	-30.01
CC1=NC2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=C2C=C1	REAL300012015574	0	45	0.0	-35.83	349.72	7.34	-28.49
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=C2)C=C1	REAL300012015575	0	52	0.0	-38.84	407.50	8.76	-30.08
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012015576	0	39	0.0	-33.42	310.18	5.43	-27.99
CC1=CC(C2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=C2)=CC(C)=C1	REAL300012015577	0	53	0.0	-36.02	407.99	11.24	-24.78
CC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012015578	0	46	0.0	-39.28	359.84	9.95	-29.33
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012015579	0	40	0.0	-37.28	321.31	6.97	-30.31
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012015580	0	44	0.0	-38.72	355.33	7.05	-31.67
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015581	0	47	0.0	-38.92	383.75	8.91	-30.01
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012015582	0	51	0.0	-40.42	408.32	10.01	-30.41
CCCCOC1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015583	0	50	0.0	-34.95	382.31	8.50	-26.45
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012015584	0	48	0.0	-37.57	389.91	10.72	-26.85
CC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012015585	0	47	0.0	-36.03	367.61	7.52	-28.51
COC1=CC(C)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015586	0	48	0.0	-36.15	362.85	6.37	-29.78
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015587	0	43	0.0	-41.43	351.07	7.24	-34.19
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015588	0	43	0.0	-30.31	340.56	4.96	-25.35
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015589	0	46	0.0	-43.38	373.39	6.11	-37.27
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012015590	0	41	0.0	-30.76	337.55	5.54	-25.22
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015591	0	41	0.0	-34.34	343.53	8.08	-26.26
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012015592	0	47	0.0	-43.99	379.97	8.35	-35.64
CC1CCC2=C(C1)SC(C[NH2+]C(CC1CCOC1)C(=O)[O-])=N2	REAL300012015593	1	46	0.0	-28.21	356.34	6.72	-21.49
CC(C)(C)C1CCC(C[NH2+]C(CC2CCOC2)C(=O)[O-])CC1	REAL300012015594	0	55	0.0	-35.68	380.45	8.97	-26.71
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC(F)F)C(Br)=C1	REAL300012015595	0	41	0.0	-36.92	350.44	6.94	-29.98
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012015596	0	50	0.0	-44.99	413.62	9.33	-35.66
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015597	0	51	0.0	-31.16	393.04	9.49	-21.67
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015598	0	51	0.0	-35.68	391.58	9.39	-26.29
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015599	0	50	0.0	-38.62	386.77	7.64	-30.98
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012015600	0	48	0.0	-33.17	370.04	8.18	-24.99
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012015601	0	48	0.0	-27.07	395.49	9.75	-17.32
COC1=CC(Cl)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1Cl	REAL300012015602	0	41	0.0	-34.53	345.23	6.85	-27.68
CC(C)CC1=NC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])S1	REAL300012015603	0	45	0.0	-34.19	358.61	6.87	-27.32
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012015604	0	40	0.0	-34.95	347.53	6.75	-28.20
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012015605	0	40	0.0	-35.49	346.93	6.67	-28.82
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])S2)O1	REAL300012015606	0	43	0.0	-35.54	359.03	6.54	-29.00
CC1=CC(Br)=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015607	0	40	0.0	-33.21	326.85	7.94	-25.27
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012015608	0	37	0.0	-35.38	328.21	7.81	-27.57
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012015609	0	44	0.0	-33.48	353.69	6.45	-27.03
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012015610	0	46	0.0	-42.35	364.27	8.29	-34.06
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012015611	0	40	0.0	-32.07	331.13	7.34	-24.73
COCCOC1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015612	0	48	0.0	-38.00	374.26	6.21	-31.79
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012015613	0	37	0.0	-27.69	321.46	7.71	-19.98
COC1=C(Br)C=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015614	0	41	0.0	-35.75	339.31	6.67	-29.08
CN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012015615	0	44	0.0	-29.57	359.20	7.00	-22.57
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012015616	0	51	0.0	-34.25	399.25	9.39	-24.86
COC1=CC(Br)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(OC)=C1	REAL300012015617	0	45	0.0	-31.02	364.79	5.78	-25.24
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012015618	0	48	0.0	-30.56	390.78	9.91	-20.65
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012015619	0	52	0.0	-38.41	413.12	7.88	-30.53
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015620	0	56	0.0	-34.95	411.69	9.97	-24.98
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012015621	0	44	0.0	-39.13	357.62	8.46	-30.67
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])S1	REAL300012015622	0	45	0.0	-34.50	356.16	6.40	-28.10
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012015623	0	43	0.0	-36.94	331.52	5.53	-31.41
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012015624	0	37	0.0	-38.59	313.72	7.20	-31.39
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012015625	0	44	0.0	-37.99	349.47	7.87	-30.12
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012015626	0	47	0.0	-36.66	388.94	8.88	-27.78
CC(=O)NC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015627	0	44	0.0	-38.76	347.10	5.40	-33.36
CCN(CC)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015628	0	51	0.0	-34.32	384.44	8.92	-25.40
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012015629	0	37	0.0	-35.62	312.26	7.13	-28.49
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC(OC)=C1OC	REAL300012015630	0	49	0.0	-37.49	378.92	5.49	-32.00
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012015631	0	37	0.0	-31.66	309.99	7.10	-24.56
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012015632	0	41	0.0	-36.55	328.53	6.30	-30.25
COC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1OC	REAL300012015633	0	45	0.0	-37.20	349.42	5.93	-31.27
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012015634	0	37	0.0	-28.60	317.88	7.60	-21.00
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012015635	0	50	0.0	-35.95	374.97	5.34	-30.61
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015636	0	45	0.0	-35.57	345.76	5.56	-30.01
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(OC)=C1	REAL300012015637	0	45	0.0	-36.93	346.92	5.28	-31.65
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012015638	0	40	0.0	-37.79	328.05	7.62	-30.17
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012015639	0	37	0.0	-37.56	314.98	7.45	-30.11
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012015640	0	37	0.0	-35.00	322.68	7.67	-27.33
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015641	0	58	0.0	-34.72	441.03	11.63	-23.09
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012015642	0	41	0.0	-36.71	326.27	5.96	-30.75
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012015643	0	40	0.0	-39.73	319.15	7.73	-32.00
CCCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015644	0	50	0.0	-33.04	381.36	8.18	-24.86
CC(C)CCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015645	0	53	0.0	-32.96	398.93	8.71	-24.25
CCCCCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015646	0	56	0.0	-32.95	424.36	9.75	-23.20
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012015647	0	48	0.0	-35.90	375.95	9.83	-26.07
CCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(OCCC)=C1	REAL300012015648	0	57	0.0	-36.83	435.00	8.77	-28.06
CCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015649	0	48	0.0	-37.47	372.69	6.86	-30.61
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012015650	0	40	0.0	-34.66	330.82	7.73	-26.93
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(OC)=C1OC	REAL300012015651	0	49	0.0	-38.71	383.50	5.90	-32.81
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012015652	0	55	0.0	-36.62	427.52	9.55	-27.07
COC1=CC=C(Br)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015653	0	41	0.0	-34.13	338.77	6.59	-27.54
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC(Br)=C1O	REAL300012015654	0	42	0.0	-39.88	349.98	4.39	-35.49
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012015655	0	47	0.0	-35.89	365.18	9.92	-25.97
COC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012015656	0	47	0.0	-34.04	361.01	8.15	-25.89
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012015657	0	37	0.0	-29.36	319.07	7.33	-22.03
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015658	0	49	0.0	-38.48	377.46	5.23	-33.25
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015659	0	47	0.0	-36.63	382.72	8.59	-28.04
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012015660	0	51	0.0	-39.07	400.58	9.90	-29.17
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1Br	REAL300012015661	0	37	0.0	-27.44	304.73	7.20	-20.24
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015662	0	40	0.0	-29.24	325.17	5.01	-24.23
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300012015663	0	44	0.0	-41.65	370.76	8.49	-33.16
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012015664	0	40	0.0	-43.88	331.54	5.79	-38.09
CN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012015665	0	49	0.0	-35.08	356.07	6.59	-28.49
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1I	REAL300012015666	0	37	0.0	-26.31	311.35	7.67	-18.64
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012015667	0	45	0.0	-38.25	366.48	5.82	-32.43
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012015668	0	54	0.0	-48.25	413.98	9.75	-38.50
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015669	0	49	0.0	-40.57	384.81	8.51	-32.06
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012015670	0	47	0.0	-32.31	368.85	8.18	-24.13
CCOC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1OC	REAL300012015671	0	48	0.0	-36.12	369.90	6.81	-29.31
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OCC(N)=O	REAL300012015672	0	49	0.0	-44.31	384.35	3.54	-40.77
C#CCOC1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015673	0	43	0.0	-37.35	345.10	7.46	-29.89
CCNC(=O)COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015674	0	55	0.0	-45.94	432.84	6.18	-39.76
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC2=C1OCO2	REAL300012015675	0	44	0.0	-41.65	346.56	4.44	-37.21
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012015676	0	43	0.0	-33.80	343.74	6.40	-27.40
COC1=CC2=C(C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-])OC(C)C2	REAL300012015677	0	49	0.0	-33.46	376.13	6.46	-27.00
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012015678	0	53	0.0	-46.90	421.46	3.46	-43.44
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012015679	0	49	0.0	-42.96	405.37	4.23	-38.73
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CS1	REAL300012015680	0	46	0.0	-49.16	370.32	6.36	-42.80
COC1=CC=CC(OC)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015681	0	45	0.0	-32.14	348.40	5.47	-26.67
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(I)=C1	REAL300012015682	0	37	0.0	-38.43	320.21	7.68	-30.75
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(I)C=C1	REAL300012015683	0	37	0.0	-35.45	318.74	7.60	-27.85
CSC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])S1	REAL300012015684	0	38	0.0	-33.35	320.53	6.70	-26.65
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012015685	0	47	0.0	-34.13	385.84	7.52	-26.61
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015686	0	50	0.0	-32.59	374.43	10.22	-22.37
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015687	0	43	0.0	-41.13	347.71	3.90	-37.23
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012015688	0	47	0.0	-37.79	381.57	10.59	-27.20
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015689	0	41	0.0	-34.25	334.18	6.49	-27.76
COC(=O)C1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CN1C	REAL300012015690	0	44	0.0	-44.77	350.38	6.69	-38.08
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012015691	0	50	0.0	-39.74	394.67	8.25	-31.49
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012015692	0	36	0.0	-37.09	303.30	5.15	-31.94
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012015693	0	46	0.0	-34.42	360.70	3.69	-30.73
C#CCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015694	0	46	0.0	-36.26	369.60	8.05	-28.21
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=C12	REAL300012015695	0	45	0.0	-40.00	357.04	6.43	-33.57
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012015696	0	40	0.0	-40.71	334.67	7.51	-33.20
CCOCC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OC	REAL300012015697	0	51	0.0	-35.87	390.60	6.58	-29.29
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012015698	0	40	0.0	-41.63	324.22	5.86	-35.77
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012015699	0	46	0.0	-40.13	381.87	5.96	-34.17
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Br	REAL300012015700	0	40	0.0	-30.78	344.80	8.24	-22.54
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Br)C=C1C(F)(F)F	REAL300012015701	0	40	0.0	-40.04	340.67	8.38	-31.66
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012015702	0	37	0.0	-30.91	312.52	7.14	-23.77
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC=C1Br	REAL300012015703	0	34	0.0	-25.98	295.31	5.89	-20.09
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015704	0	50	0.0	-34.42	380.92	8.40	-26.02
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012015705	1	43	0.0	-36.46	337.84	6.36	-30.10
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012015706	0	37	0.0	-34.76	315.79	7.09	-27.67
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012015707	0	42	0.0	-37.69	331.38	7.12	-30.57
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012015708	0	37	0.0	-38.57	310.01	7.19	-31.38
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012015709	0	37	0.0	-41.04	315.48	7.25	-33.79
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=N1	REAL300012015710	0	47	0.0	-37.79	360.94	6.57	-31.22
CS(=O)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015711	0	42	0.0	-50.73	342.85	5.25	-45.48
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012015712	0	47	0.0	-34.48	352.01	9.11	-25.37
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C)=C1OC	REAL300012015713	0	48	0.0	-36.88	360.80	6.35	-30.53
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012015714	0	34	0.0	-26.92	307.98	6.37	-20.55
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012015715	0	36	0.0	-37.88	316.83	5.11	-32.77
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015716	0	43	0.0	-40.91	348.07	4.51	-36.40
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012015717	0	50	0.0	-34.90	374.18	9.85	-25.05
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012015718	0	44	0.0	-35.00	346.06	8.26	-26.74
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012015719	0	47	0.0	-36.67	356.79	7.16	-29.51
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015720	0	47	0.0	-29.11	360.85	8.01	-21.10
COC1=CC(C)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C)=N1	REAL300012015721	0	46	0.0	-32.86	343.87	4.02	-28.84
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015722	0	41	0.0	-31.37	332.85	6.43	-24.94
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015723	0	47	0.0	-32.51	353.73	7.28	-25.23
CC1=NC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012015724	0	47	0.0	-32.70	369.79	8.97	-23.73
CCCN1N=C(C)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1C	REAL300012015725	0	49	0.0	-33.64	372.46	6.95	-26.69
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012015726	0	47	0.0	-34.49	355.08	9.20	-25.29
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012015727	0	47	0.0	-36.87	365.11	8.25	-28.62
CCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1F	REAL300012015728	0	44	0.0	-36.08	348.35	7.00	-29.08
COC1=CC=CC2=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=CC=C12	REAL300012015729	0	47	0.0	-36.30	356.58	8.06	-28.24
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1C#N	REAL300012015730	0	42	0.0	-42.91	341.80	6.46	-36.45
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015731	0	47	0.0	-32.58	362.16	8.26	-24.32
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012015732	0	36	0.0	-32.31	316.32	4.82	-27.49
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012015733	0	44	0.0	-34.88	350.96	4.67	-30.21
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(Br)=C1	REAL300012015734	0	41	0.0	-28.57	335.53	6.53	-22.04
CC1=CC(Br)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])S1	REAL300012015735	0	37	0.0	-28.81	322.53	6.94	-21.87
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015736	0	52	0.0	-44.14	402.13	9.29	-34.85
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015737	0	47	0.0	-29.31	376.73	9.25	-20.06
CN1C(=O)CCC2=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CC=C21	REAL300012015738	0	48	0.0	-40.59	367.66	7.43	-33.16
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015739	0	52	0.0	-27.83	412.55	9.68	-18.15
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015740	0	44	0.0	-31.87	350.07	7.00	-24.87
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012015741	0	43	0.0	-35.57	371.06	8.16	-27.41
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012015742	0	43	0.0	-39.34	360.17	7.92	-31.42
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015743	0	54	0.0	-36.29	416.24	10.16	-26.13
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012015744	0	48	0.0	-35.16	389.03	9.04	-26.12
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012015745	0	52	0.0	-42.46	417.74	6.87	-35.59
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012015746	0	42	0.0	-38.63	347.87	7.48	-31.15
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012015747	0	46	0.0	-34.16	362.68	7.33	-26.83
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012015748	0	43	0.0	-37.16	362.50	7.86	-29.30
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012015749	0	40	0.0	-36.38	338.44	5.76	-30.62
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012015750	0	37	0.0	-35.04	326.89	7.77	-27.27
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012015751	0	49	0.0	-35.54	400.35	9.21	-26.33
CN1C=C(C2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=C2)C=N1	REAL300012015752	0	47	0.0	-38.53	371.09	7.80	-30.73
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012015753	0	40	0.0	-40.64	327.98	5.62	-35.02
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012015754	0	48	0.0	-39.41	385.74	9.57	-29.84
CN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012015755	0	47	0.0	-32.51	374.72	7.83	-24.68
CN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012015756	0	48	0.0	-37.53	390.53	8.20	-29.33
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])N1	REAL300012015757	0	45	0.0	-40.03	346.40	4.78	-35.25
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=N1	REAL300012015758	0	51	0.0	-36.04	395.30	8.79	-27.25
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015759	0	49	0.0	-35.80	376.86	6.76	-29.04
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012015760	0	43	0.0	-34.22	345.32	6.81	-27.41
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012015761	0	44	0.0	-36.29	355.01	4.72	-31.57
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])N=N1	REAL300012015762	0	46	0.0	-41.84	360.91	7.09	-34.75
CN1N=C(Br)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015763	0	37	0.0	-40.42	314.77	4.65	-35.77
CN1C=C(C2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])S2)C=N1	REAL300012015764	0	44	0.0	-36.56	360.97	7.06	-29.50
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012015765	0	49	0.0	-35.11	366.09	7.27	-27.84
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015766	0	44	0.0	-34.74	353.05	7.41	-27.33
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012015767	0	37	0.0	-30.20	323.47	7.63	-22.57
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015768	0	48	0.0	-32.02	371.83	7.42	-24.60
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012015769	0	41	0.0	-33.28	339.29	6.48	-26.80
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012015770	0	44	0.0	-33.79	347.42	7.28	-26.51
CC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012015771	0	50	0.0	-32.41	387.27	8.44	-23.97
CC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012015772	0	50	0.0	-28.96	386.14	8.03	-20.93
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012015773	0	47	0.0	-38.21	389.63	8.96	-29.25
CC1=CC(Br)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1Cl	REAL300012015774	0	40	0.0	-31.41	340.08	8.35	-23.06
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012015775	0	47	0.0	-30.76	387.32	8.38	-22.38
CC(C)(C)C1=CN=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])S1	REAL300012015776	1	45	0.0	-35.85	355.65	6.41	-29.44
N#CCCN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012015777	0	50	0.0	-38.34	407.45	7.43	-30.91
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012015778	0	43	0.0	-29.70	352.05	10.10	-19.60
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015779	0	47	0.0	-36.05	369.01	7.01	-29.04
COCCCN1N=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015780	0	47	0.0	-33.82	361.77	4.94	-28.88
CC1=CC(F)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(Cl)=C1	REAL300012015781	0	40	0.0	-27.66	325.93	7.42	-20.24
COCCOCC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015782	0	51	0.0	-38.35	401.18	6.62	-31.73
CSCC1=CN=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])S1	REAL300012015783	1	40	0.0	-32.24	342.39	5.66	-26.58
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012015784	0	37	0.0	-37.95	308.12	6.59	-31.36
CC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012015785	0	43	0.0	-36.44	357.66	8.89	-27.55
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012015786	0	51	0.0	-46.33	414.07	9.07	-37.26
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(F)C=C1I	REAL300012015787	0	37	0.0	-26.86	317.76	7.74	-19.12
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012015788	0	40	0.0	-42.48	330.57	5.60	-36.88
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2CCOC2)C(=O)[O-])O1	REAL300012015789	0	47	0.0	-28.89	371.04	6.80	-22.09
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012015790	0	36	0.0	-35.07	318.13	5.70	-29.37
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(OC(F)F)=CC=C1Br	REAL300012015791	0	41	0.0	-34.38	343.79	6.83	-27.55
COC(=O)C1=C(C)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CN1	REAL300012015792	0	44	0.0	-33.58	344.58	5.39	-28.19
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])S2)C=C1C	REAL300012015793	0	49	0.0	-35.79	394.73	8.89	-26.90
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015794	0	47	0.0	-42.84	371.47	8.55	-34.29
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015795	0	47	0.0	-40.54	379.19	9.09	-31.45
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015796	0	50	0.0	-38.81	390.38	9.13	-29.68
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015797	0	47	0.0	-38.49	367.59	8.46	-30.03
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012015798	0	43	0.0	-31.52	337.68	6.63	-24.89
COC1=CC(OC)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1F	REAL300012015799	0	45	0.0	-37.59	354.45	5.40	-32.19
COC1=CC(F)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015800	0	45	0.0	-32.76	352.52	5.86	-26.90
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300012015801	0	51	0.0	-37.96	412.03	10.17	-27.79
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015802	0	50	0.0	-39.06	390.52	9.12	-29.94
CCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C)=C1	REAL300012015803	0	50	0.0	-32.91	378.39	8.34	-24.57
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012015804	0	39	0.0	-39.19	323.09	6.25	-32.94
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012015805	0	40	0.0	-36.68	336.18	7.51	-29.17
CCC1=C2OC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CC2=CC=C1	REAL300012015806	0	46	0.0	-38.63	361.75	8.45	-30.18
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012015807	0	45	0.0	-43.43	356.56	7.66	-35.77
CCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C)=C1	REAL300012015808	0	47	0.0	-34.24	351.78	7.33	-26.91
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012015809	0	41	0.0	-38.82	334.84	6.38	-32.44
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012015810	0	41	0.0	-34.65	336.38	6.45	-28.20
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012015811	0	50	0.0	-34.51	373.54	9.82	-24.69
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2CCOC2)C(=O)[O-])C=N1	REAL300012015812	0	47	0.0	-36.61	370.15	5.47	-31.14
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012015813	0	43	0.0	-36.43	372.52	8.24	-28.19
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012015814	0	37	0.0	-34.91	321.59	6.64	-28.27
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012015815	0	37	0.0	-29.12	309.30	6.35	-22.77
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012015816	0	37	0.0	-28.83	314.22	6.62	-22.21
CN(C)C1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=CC(F)=C1F	REAL300012015817	0	45	0.0	-39.47	349.20	6.68	-32.79
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012015818	0	37	0.0	-31.80	314.52	7.09	-24.71
CC(C)OC1=CC(Cl)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1Cl	REAL300012015819	0	47	0.0	-34.17	385.04	8.39	-25.78
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012015820	0	49	0.0	-41.62	377.72	6.18	-35.44
CN(C)C1=CC(F)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1F	REAL300012015821	0	45	0.0	-38.30	357.08	6.21	-32.09
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015822	0	51	0.0	-41.70	391.01	8.33	-33.37
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012015823	0	37	0.0	-33.12	307.69	6.83	-26.29
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012015824	0	44	0.0	-38.34	358.87	6.95	-31.39
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015825	0	49	0.0	-36.76	404.43	7.87	-28.89
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC1CC1	REAL300012015826	0	49	0.0	-39.20	380.42	7.52	-31.68
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015827	0	40	0.0	-40.79	331.41	5.21	-35.58
COCC(C)OC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015828	0	51	0.0	-38.27	393.19	6.74	-31.53
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300012015829	0	51	0.0	-32.87	405.80	10.07	-22.80
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012015830	0	44	0.0	-37.70	358.00	9.28	-28.42
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012015831	0	50	0.0	-35.92	393.01	8.85	-27.07
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012015832	0	44	0.0	-39.58	357.78	7.25	-32.33
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1C(C)(C)C	REAL300012015833	0	53	0.0	-34.35	391.64	8.48	-25.87
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012015834	0	50	0.0	-31.36	378.07	9.88	-21.48
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015835	0	45	0.0	-30.67	363.78	5.72	-24.95
CC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=NC=C1Br	REAL300012015836	0	39	0.0	-36.60	321.83	5.73	-30.87
CC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C(Br)C=C1F	REAL300012015837	0	40	0.0	-28.36	332.80	7.94	-20.42
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012015838	0	38	0.0	-36.29	316.89	4.33	-31.96
CN1C=C(C2=NC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CS2)C=N1	REAL300012015839	0	43	0.0	-42.60	360.48	5.09	-37.51
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1Cl	REAL300012015840	0	41	0.0	-37.44	336.51	6.35	-31.09
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012015841	0	47	0.0	-36.86	361.32	7.21	-29.65
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012015842	0	43	0.0	-46.13	350.29	6.39	-39.74
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012015843	0	43	0.0	-35.58	334.81	8.05	-27.53
CN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(Br)=N1	REAL300012015844	0	37	0.0	-37.45	311.61	4.70	-32.75
CC(=O)NC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015845	0	44	0.0	-36.17	343.48	5.89	-30.28
CN1N=CC2=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CN=C21	REAL300012015846	0	42	0.0	-41.26	334.68	5.77	-35.49
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012015847	0	36	0.0	-33.11	312.63	5.30	-27.81
COC1=CC(Cl)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC	REAL300012015848	0	45	0.0	-30.89	359.85	6.28	-24.61
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012015849	0	43	0.0	-36.90	351.95	8.29	-28.61
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015850	0	57	0.0	-37.78	439.98	7.19	-30.59
CN1N=C2CCCCC2=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015851	0	47	0.0	-34.76	352.56	6.58	-28.18
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C(C)N1	REAL300012015852	0	50	0.0	-34.43	390.65	7.04	-27.39
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012015853	0	36	0.0	-40.15	309.68	5.43	-34.72
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012015854	0	47	0.0	-36.66	380.04	10.35	-26.31
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012015855	0	37	0.0	-32.20	321.99	7.37	-24.83
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Br)SC=C1	REAL300012015856	0	34	0.0	-30.45	293.70	6.00	-24.45
CCOC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C(F)C=C1OC	REAL300012015857	0	48	0.0	-33.00	375.70	6.82	-26.18
COC1=NC=C(Br)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015858	0	40	0.0	-31.61	334.43	4.37	-27.24
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012015859	0	43	0.0	-36.69	335.67	8.67	-28.02
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CN=C1Br	REAL300012015860	0	36	0.0	-34.81	293.71	4.96	-29.85
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O	REAL300012015861	0	51	0.0	-37.25	410.19	6.33	-30.92
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C(F)C=C1Br	REAL300012015862	0	41	0.0	-31.41	343.72	6.61	-24.80
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012015863	0	37	0.0	-37.54	319.19	7.55	-29.99
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012015864	0	41	0.0	-42.82	341.71	6.59	-36.23
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015865	0	47	0.0	-35.34	364.97	7.64	-27.70
CCOC1=CC(F)=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015866	0	44	0.0	-36.35	347.08	6.91	-29.44
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012015867	0	51	0.0	-38.60	382.92	7.37	-31.23
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012015868	0	41	0.0	-32.60	334.35	6.27	-26.33
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015869	0	50	0.0	-33.21	368.09	8.16	-25.05
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C(F)C=C1C	REAL300012015870	0	44	0.0	-30.31	343.38	6.69	-23.62
CC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C)=C1Br	REAL300012015871	0	43	0.0	-35.25	340.58	8.26	-26.99
CC1=CC=NC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1Br	REAL300012015872	0	39	0.0	-30.06	317.76	5.77	-24.29
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015873	0	54	0.0	-34.87	409.06	6.62	-28.25
CN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012015874	0	47	0.0	-32.90	383.32	7.81	-25.09
CC(C)(C)C1=CSC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=N1	REAL300012015875	1	45	0.0	-28.33	352.60	6.08	-22.25
COCCC1=NC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])S1	REAL300012015876	0	43	0.0	-35.89	351.17	4.39	-31.50
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012015878	1	38	0.0	-35.54	326.45	4.52	-31.02
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012015879	1	38	0.0	-36.29	311.56	3.96	-32.33
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1	REAL300012015880	0	47	0.0	-30.95	391.28	7.92	-23.03
CN1N=C2CCSCC2=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015881	0	45	0.0	-37.13	354.53	6.14	-30.99
CCN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012015882	0	50	0.0	-36.07	387.25	8.52	-27.55
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012015883	0	45	0.0	-33.47	337.80	6.46	-27.01
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1C	REAL300012015884	0	53	0.0	-31.36	389.83	7.73	-23.63
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012015885	0	39	0.0	-41.34	318.73	7.05	-34.29
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012015886	0	48	0.0	-30.93	395.82	9.73	-21.20
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015887	0	51	0.0	-29.50	416.11	10.63	-18.87
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1	REAL300012015888	0	48	0.0	-30.96	400.16	9.86	-21.10
CC1=C(Br)C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])S1	REAL300012015889	0	37	0.0	-31.63	319.60	6.87	-24.76
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012015890	0	47	0.0	-37.26	381.58	10.58	-26.68
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012015891	0	42	0.0	-36.10	327.13	6.74	-29.36
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(F)=C1I	REAL300012015892	0	37	0.0	-36.73	312.93	7.55	-29.18
CCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1C	REAL300012015893	0	50	0.0	-34.70	383.89	8.27	-26.43
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012015894	0	41	0.0	-41.80	327.01	4.91	-36.89
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012015895	0	55	0.0	-37.49	424.95	9.10	-28.39
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012015896	0	51	0.0	-38.51	404.30	7.72	-30.79
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015897	0	44	0.0	-34.39	345.96	6.97	-27.42
CC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015898	0	40	0.0	-29.78	333.29	7.80	-21.98
CC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012015899	0	42	0.0	-44.35	326.60	7.65	-36.70
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015900	0	45	0.0	-36.35	349.65	8.30	-28.05
COC1=CC=C(CN2C=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])N=N2)C=C1	REAL300012015901	0	50	0.0	-49.29	398.63	6.14	-43.15
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(F)=C1OC	REAL300012015902	0	45	0.0	-44.79	358.68	5.99	-38.80
COC(=O)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(F)=C1	REAL300012015903	0	43	0.0	-33.76	348.57	7.31	-26.45
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012015904	0	47	0.0	-41.23	375.96	6.99	-34.24
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012015905	0	51	0.0	-34.32	398.28	9.65	-24.67
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012015906	0	44	0.0	-41.66	353.65	7.28	-34.38
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1	REAL300012015907	0	48	0.0	-31.93	394.06	10.06	-21.87
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015908	0	55	0.0	-28.74	427.72	9.82	-18.92
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012015909	0	48	0.0	-32.29	400.51	9.87	-22.42
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015910	0	53	0.0	-37.41	407.18	9.54	-27.87
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015911	0	44	0.0	-37.19	339.27	7.94	-29.25
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012015912	0	43	0.0	-38.64	372.54	7.81	-30.83
COC1=CC=C(C2=NC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CS2)C=C1	REAL300012015913	0	47	0.0	-28.10	381.66	7.10	-21.00
CC1=C2C=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=NC2=NN1	REAL300012015915	0	42	0.0	-48.37	334.03	5.02	-43.35
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015916	0	45	0.0	-43.98	366.62	3.23	-40.75
CN1N=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C2=CC=CC=C21	REAL300012015917	0	43	0.0	-31.93	340.92	6.42	-25.51
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015918	0	37	0.0	-31.49	323.16	5.93	-25.56
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012015919	0	42	0.0	-29.83	326.58	6.72	-23.11
CC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012015920	0	43	0.0	-36.16	333.32	7.32	-28.84
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015921	0	57	0.0	-34.41	412.95	8.75	-25.66
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1	REAL300012015922	0	51	0.0	-38.33	416.28	9.77	-28.56
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012015923	0	43	0.0	-40.49	347.16	4.74	-35.75
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2CCOC2)C(=O)[O-])S1	REAL300012015924	0	42	0.0	-40.15	344.56	5.81	-34.34
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2CCOC2)C(=O)[O-])S1	REAL300012015925	0	48	0.0	-39.03	385.65	7.08	-31.95
CCCC(C[NH2+]C(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300012015926	0	49	0.0	-38.33	366.36	9.32	-29.01
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012015927	0	42	0.0	-30.68	341.19	7.48	-23.20
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012015928	0	37	0.0	-36.51	317.88	6.68	-29.83
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012015929	0	54	0.0	-41.38	423.57	7.46	-33.92
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012015930	0	39	0.0	-31.60	343.93	6.55	-25.05
CN(C)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012015931	0	48	0.0	-39.27	370.83	8.15	-31.12
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015932	0	47	0.0	-32.50	373.11	9.11	-23.39
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015933	0	46	0.0	-39.53	381.20	8.09	-31.44
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012015934	0	56	0.0	-36.13	428.05	10.00	-26.13
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012015935	0	40	0.0	-26.97	347.28	8.34	-18.63
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1	REAL300012015936	0	43	0.0	-47.69	359.99	6.98	-40.71
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012015937	0	40	0.0	-28.45	335.68	8.12	-20.33
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015938	0	48	0.0	-36.74	377.50	7.89	-28.85
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015939	0	51	0.0	-36.95	389.96	8.11	-28.84
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015940	0	47	0.0	-27.46	357.92	7.16	-20.30
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012015941	0	46	0.0	-34.77	357.77	8.65	-26.12
COC1=CC=C(N2C=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=N2)C=C1	REAL300012015942	0	48	0.0	-37.49	379.09	7.21	-30.28
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015943	0	52	0.0	-34.95	412.87	9.92	-25.03
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012015944	0	39	0.0	-43.27	330.39	4.48	-38.79
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=NC=C1Br	REAL300012015945	0	36	0.0	-30.32	303.28	5.39	-24.93
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])S1	REAL300012015946	0	40	0.0	-42.37	340.11	3.05	-39.32
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012015947	0	57	0.0	-27.05	416.69	10.39	-16.66
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012015948	0	43	0.0	-33.60	338.32	7.19	-26.41
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(F)=C1	REAL300012015949	0	42	0.0	-46.03	349.12	1.60	-44.43
CC1=C(Br)C=NC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015950	0	39	0.0	-33.56	316.22	5.66	-27.90
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015951	0	40	0.0	-39.36	327.06	5.07	-34.29
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015952	0	47	0.0	-34.15	357.73	6.80	-27.35
CC1=C2C=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])NC2=CC=C1	REAL300012015953	0	44	0.0	-36.35	343.47	7.24	-29.11
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012015954	0	43	0.0	-33.13	341.89	5.79	-27.34
CC1=CC=C2C=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])NC2=C1	REAL300012015955	0	44	0.0	-34.92	341.34	7.01	-27.91
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012015956	0	48	0.0	-38.89	366.29	5.27	-33.62
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21	REAL300012015957	0	51	0.0	-40.40	406.36	9.52	-30.88
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012015958	1	40	0.0	-43.18	323.58	3.98	-39.20
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012015959	0	39	0.0	-36.73	316.43	5.46	-31.27
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015960	0	46	0.0	-37.43	363.85	7.07	-30.36
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012015961	0	47	0.0	-35.95	363.78	4.07	-31.88
CC1=CC(C)=C(C=CC[NH2+]C(CC2CCOC2)C(=O)[O-])C(C)=C1	REAL300012015962	0	50	0.0	-35.43	381.01	9.62	-25.81
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012015963	0	57	0.0	-36.70	431.00	5.37	-31.33
CC(C)(C)OC(=O)NC(C[NH2+]C(CC1CCOC1)C(=O)[O-])CC(F)F	REAL300012015964	0	53	0.0	-38.07	397.36	5.49	-32.58
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012015965	0	47	0.0	-44.24	362.02	3.96	-40.28
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015966	0	45	0.0	-32.85	346.93	6.71	-26.14
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012015967	0	42	0.0	-45.92	336.73	7.05	-38.87
CC1=CC(C)=C(C=CC[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1C	REAL300012015968	0	50	0.0	-33.57	373.93	9.39	-24.18
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015969	0	42	0.0	-43.41	343.55	1.57	-41.84
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012015970	0	46	0.0	-24.98	338.72	7.44	-17.54
CC1=NN(C)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1Cl	REAL300012015971	0	40	0.0	-31.64	331.52	5.23	-26.41
CN1C=CC(C2=NC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CS2)=N1	REAL300012015972	0	43	0.0	-44.48	356.63	4.84	-39.64
CN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012015973	0	50	0.0	-34.64	379.29	7.40	-27.24
CC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1Br	REAL300012015974	0	40	0.0	-34.29	322.51	7.72	-26.57
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012015975	0	48	0.0	-35.55	384.44	9.53	-26.02
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012015976	0	45	0.0	-36.49	344.34	7.29	-29.20
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015977	0	47	0.0	-47.00	364.71	6.45	-40.55
CCC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(Cl)=NN1	REAL300012015978	0	40	0.0	-31.26	325.25	4.74	-26.52
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012015979	0	41	0.0	-36.57	337.33	5.45	-31.12
CC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C2CCCCC2=N1	REAL300012015980	0	49	0.0	-35.47	363.55	7.68	-27.79
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012015981	0	52	0.0	-28.57	384.76	8.55	-20.02
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012015982	0	36	0.0	-42.81	316.62	4.60	-38.21
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012015983	0	40	0.0	-37.09	330.17	7.46	-29.63
COC(=O)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1C	REAL300012015984	0	46	0.0	-36.21	357.66	7.56	-28.65
CC1=C(Cl)C=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1Cl	REAL300012015985	0	40	0.0	-36.12	335.23	8.11	-28.01
N#CC1=CC=C(Br)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012015986	0	38	0.0	-35.70	322.97	7.56	-28.14
CC1CC2=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CC=C2O1	REAL300012015987	0	45	0.0	-36.58	347.85	7.08	-29.50
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012015988	0	40	0.0	-34.48	322.72	4.00	-30.48
CSCC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015989	0	44	0.0	-36.46	355.44	8.50	-27.96
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012015990	0	47	0.0	-39.89	361.57	7.36	-32.53
CN1N=C2CCOCC2=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015991	0	45	0.0	-35.32	342.30	3.98	-31.34
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015992	0	50	0.0	-42.42	392.22	8.24	-34.18
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015993	0	47	0.0	-43.31	373.56	7.57	-35.74
CN1C=NC2=CC=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=C21	REAL300012015994	0	43	0.0	-34.80	325.41	7.62	-27.18
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015995	0	47	0.0	-40.20	360.10	6.17	-34.03
CCNC(=O)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012015996	0	47	0.0	-39.64	368.93	5.63	-34.01
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012015997	0	49	0.0	-29.32	344.34	8.96	-20.36
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012015998	0	47	0.0	-31.06	343.08	6.76	-24.30
COC1=CC=C2SC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CC2=C1	REAL300012015999	0	44	0.0	-35.12	353.95	7.19	-27.93
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012016000	0	53	0.0	-37.34	397.62	8.10	-29.24
CCN1CCC2=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CC=C21	REAL300012016001	0	49	0.0	-34.57	370.27	7.12	-27.45
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012016002	0	50	0.0	-39.76	383.83	7.36	-32.40
CSC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1Cl	REAL300012016003	0	41	0.0	-35.04	346.19	7.97	-27.07
CC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1C1CC1	REAL300012016004	0	47	0.0	-33.58	357.79	9.32	-24.26
CC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1C1CC1	REAL300012016005	0	47	0.0	-33.90	355.75	9.24	-24.66
CC1=NN(C2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C(C)=C2)C=C1	REAL300012016006	0	50	0.0	-41.04	384.47	8.94	-32.10
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012016007	0	43	0.0	-35.05	358.21	8.25	-26.80
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016008	0	47	0.0	-39.68	377.64	8.86	-30.82
CCC1=CC(Br)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])S1	REAL300012016009	0	40	0.0	-28.73	344.01	7.72	-21.01
CC1=NN(C2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=C2)C=C1Cl	REAL300012016010	0	47	0.0	-39.06	387.55	8.94	-30.12
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])O2)N1	REAL300012016011	0	44	0.0	-42.14	355.60	5.17	-36.97
COCCOC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])O1	REAL300012016012	1	45	0.0	-39.06	360.21	5.25	-33.81
CC(C)(C[NH2+]C(CC1CCOC1)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012016013	0	46	0.0	-36.44	360.13	9.02	-27.42
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016014	0	49	0.0	-34.00	374.14	6.98	-27.02
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012016015	0	37	0.0	-35.46	329.00	7.62	-27.84
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C)=C1	REAL300012016016	0	53	0.0	-33.07	398.38	11.01	-22.06
COC1=CC=CC(C2=CSC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=N2)=C1	REAL300012016017	1	47	0.0	-40.18	383.21	6.72	-33.46
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012016018	0	57	0.0	-39.31	437.21	7.07	-32.24
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016019	0	49	0.0	-42.88	382.72	5.96	-36.92
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012016020	0	54	0.0	-38.73	401.86	8.31	-30.42
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016021	0	47	0.0	-38.97	357.76	9.44	-29.53
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012016022	0	40	0.0	-39.24	350.71	8.47	-30.77
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012016023	0	41	0.0	-27.12	343.21	5.28	-21.84
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012016024	1	47	0.0	-36.82	359.30	2.82	-34.00
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012016025	0	37	0.0	-29.67	321.25	7.53	-22.14
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012016026	0	37	0.0	-31.62	320.08	7.31	-24.31
CC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012016027	0	49	0.0	-33.24	370.96	7.92	-25.32
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012016028	0	46	0.0	-44.84	365.17	6.71	-38.13
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2CCOC2)C(=O)[O-])CC1	REAL300012016029	0	57	0.0	-40.66	413.05	7.63	-33.03
CC1=CC(Br)=CN=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016030	0	39	0.0	-35.54	319.57	5.71	-29.83
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012016031	0	43	0.0	-44.70	364.51	4.58	-40.12
CC1OC2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=C2C1C	REAL300012016032	0	48	0.0	-36.30	364.36	7.60	-28.70
CC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OC(F)F	REAL300012016033	0	44	0.0	-38.88	350.30	6.83	-32.05
CC1=NC(Cl)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1Br	REAL300012016034	0	39	0.0	-33.01	331.43	6.06	-26.95
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016035	0	49	0.0	-30.82	353.83	8.90	-21.92
CN1N=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012016036	0	43	0.0	-45.48	336.22	2.55	-42.93
CCOC1=CC(Br)=CC(F)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016037	0	44	0.0	-31.82	367.26	7.59	-24.23
CC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012016038	0	40	0.0	-37.81	326.71	4.47	-33.34
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012016039	0	37	0.0	-36.51	308.28	3.73	-32.78
CS(=O)(=O)C1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=CS1	REAL300012016040	0	40	0.0	-31.28	334.48	3.51	-27.77
CC1=C(Br)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C(C)S1	REAL300012016041	0	40	0.0	-27.63	337.91	7.59	-20.04
CN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012016042	0	47	0.0	-32.33	374.76	7.84	-24.49
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012016043	0	44	0.0	-32.33	355.83	8.91	-23.42
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012016044	0	45	0.0	-36.15	349.86	7.59	-28.56
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012016045	0	41	0.0	-31.77	341.12	6.49	-25.28
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012016046	0	43	0.0	-40.82	363.63	8.46	-32.36
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C)=C1	REAL300012016047	0	50	0.0	-39.35	381.57	9.54	-29.81
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=C2)C=N1	REAL300012016048	0	50	0.0	-42.46	388.37	10.27	-32.19
CNC(=O)C1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016049	0	44	0.0	-42.62	343.86	5.27	-37.35
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012016050	0	51	0.0	-34.49	385.61	10.68	-23.81
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016052	0	47	0.0	-47.75	370.40	5.70	-42.05
CC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012016053	0	43	0.0	-28.75	340.71	8.18	-20.57
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016054	0	47	0.0	-39.30	370.74	7.81	-31.49
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016055	0	48	0.0	-34.63	358.41	6.87	-27.76
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012016056	0	40	0.0	-32.43	344.84	8.48	-23.95
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012016057	0	40	0.0	-41.44	329.29	5.44	-36.00
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012016058	0	47	0.0	-30.58	362.29	8.68	-21.90
CN1C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=NC2=C1CCCC2	REAL300012016059	0	47	0.0	-29.77	353.69	7.18	-22.59
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1	REAL300012016060	0	44	0.0	-37.02	367.71	7.11	-29.91
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016061	0	40	0.0	-29.30	329.65	3.57	-25.73
CN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012016062	0	40	0.0	-30.87	327.74	5.28	-25.59
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012016063	0	40	0.0	-41.13	325.14	7.48	-33.65
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012016064	0	45	0.0	-31.97	333.72	6.36	-25.61
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016065	0	50	0.0	-42.65	401.52	9.25	-33.40
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016066	0	44	0.0	-34.11	356.05	7.42	-26.69
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1	REAL300012016067	0	44	0.0	-32.02	367.10	7.10	-24.92
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012016068	1	41	0.0	-29.51	326.44	3.70	-25.81
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012016069	0	44	0.0	-37.59	352.82	6.56	-31.03
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Br)C=CC=C1OC(F)F	REAL300012016070	0	41	0.0	-32.00	342.16	6.64	-25.36
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012016071	0	39	0.0	-39.83	325.60	7.24	-32.59
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012016072	0	50	0.0	-34.70	373.97	7.67	-27.03
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012016073	0	44	0.0	-31.72	361.95	7.89	-23.83
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012016074	0	37	0.0	-31.78	323.61	7.35	-24.43
CN(CCO)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=N1	REAL300012016075	0	48	0.0	-37.61	370.55	4.07	-33.54
COC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012016076	0	53	0.0	-32.43	383.77	8.39	-24.04
CN1C=C(Br)N=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016077	0	37	0.0	-43.85	312.00	5.51	-38.34
COC1=CC(C)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1O	REAL300012016078	0	45	0.0	-35.64	340.65	4.23	-31.41
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012016079	0	43	0.0	-50.00	347.73	5.62	-44.38
CN1C(=O)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012016080	0	46	0.0	-47.65	357.45	7.27	-40.38
CC1=CC(C)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C)=C1Br	REAL300012016081	0	46	0.0	-34.49	356.78	8.72	-25.77
O=C([O-])C(CC1CCOC1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012016082	0	44	0.0	-44.37	347.74	6.60	-37.77
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012016083	0	50	0.0	-31.69	378.09	9.89	-21.80
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012016084	0	47	0.0	-38.74	385.51	7.39	-31.35
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012016085	0	37	0.0	-33.32	317.43	7.21	-26.11
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016086	0	54	0.0	-34.58	409.20	7.25	-27.33
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012016087	0	41	0.0	-37.97	334.67	6.06	-31.91
CC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012016088	0	40	0.0	-40.54	328.04	6.23	-34.31
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016089	0	43	0.0	-33.78	340.59	8.52	-25.26
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012016090	0	43	0.0	-36.31	353.89	7.28	-29.03
CN1C=C(C2=NNC=C2C[NH2+]C(CC2CCOC2)C(=O)[O-])C=N1	REAL300012016091	0	44	0.0	-42.42	349.71	4.28	-38.14
CCCN1N=C(C)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1Cl	REAL300012016092	0	46	0.0	-33.43	373.45	6.81	-26.62
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])S1	REAL300012016093	0	43	0.0	-42.83	355.43	6.02	-36.81
COC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016094	0	41	0.0	-32.14	344.69	6.65	-25.49
N#CC1=CC(F)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(Br)=C1	REAL300012016095	0	38	0.0	-31.29	327.91	7.17	-24.12
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012016096	0	37	0.0	-32.05	307.84	6.83	-25.22
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012016097	0	44	0.0	-36.32	354.88	9.04	-27.28
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012016098	0	43	0.0	-35.75	342.91	9.14	-26.61
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012016099	0	37	0.0	-31.01	329.20	7.72	-23.29
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012016100	0	54	0.0	-35.09	398.88	9.45	-25.64
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012016101	0	48	0.0	-38.29	394.75	9.97	-28.32
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012016102	0	57	0.0	-33.11	418.06	10.09	-23.02
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012016103	0	51	0.0	-37.29	415.96	10.49	-26.80
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=C2)=C1	REAL300012016104	0	52	0.0	-37.57	407.51	8.77	-28.80
CCN1CCCC2=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=CC=C21	REAL300012016105	0	52	0.0	-35.11	379.58	7.67	-27.44
COCC1=CN=C(OC)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016106	0	47	0.0	-27.34	367.27	3.53	-23.81
CN1N=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1Br	REAL300012016107	0	37	0.0	-31.48	313.73	4.71	-26.77
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012016108	0	52	0.0	-36.53	406.11	9.14	-27.39
COC1=C(Br)C=CC(F)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016109	0	41	0.0	-31.50	344.35	6.67	-24.83
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012016110	0	50	0.0	-34.42	396.03	11.07	-23.35
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012016111	0	41	0.0	-38.62	347.04	8.11	-30.51
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300012016112	0	51	0.0	-39.76	418.64	10.46	-29.30
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012016113	0	50	0.0	-36.53	383.57	7.31	-29.22
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Br)C=C1OC(F)F	REAL300012016114	0	41	0.0	-37.74	348.51	6.89	-30.85
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012016115	0	45	0.0	-35.68	344.68	6.59	-29.09
CC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012016116	0	43	0.0	-35.74	347.71	8.48	-27.26
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012016117	0	43	0.0	-40.71	345.59	4.67	-36.04
COC1=CC=C(F)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1OC	REAL300012016118	0	45	0.0	-33.40	356.03	5.98	-27.42
COC1=CC(OC)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C2=NC(Cl)=CC=C12	REAL300012016119	0	50	0.0	-36.75	404.11	6.20	-30.55
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2CCOC2)C(=O)[O-])=N1	REAL300012016120	0	44	0.0	-30.63	351.27	4.56	-26.07
CC1=CC=C(F)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1Br	REAL300012016121	0	40	0.0	-31.05	332.57	7.58	-23.47
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012016122	0	60	0.0	-35.44	442.83	10.96	-24.48
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012016123	0	51	0.0	-37.96	390.23	9.01	-28.95
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016124	0	43	0.0	-39.10	329.84	8.12	-30.98
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OCCO	REAL300012016125	0	49	0.0	-40.50	384.06	3.78	-36.72
CCN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2CC2)=N1	REAL300012016126	0	47	0.0	-31.97	363.71	7.18	-24.79
COC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1OCCO	REAL300012016127	0	49	0.0	-41.58	382.95	3.54	-38.04
CN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012016128	0	47	0.0	-44.98	362.03	5.69	-39.29
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012016129	0	42	0.0	-38.48	331.97	6.97	-31.51
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012016130	0	56	0.0	-39.64	424.69	6.99	-32.65
CC1=CC2=CC=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=C2O1	REAL300012016131	0	43	0.0	-30.36	340.20	7.65	-22.71
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012016132	0	40	0.0	-43.08	324.47	7.75	-35.33
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012016133	0	44	0.0	-36.83	364.21	7.38	-29.45
COC1=CSC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1OC	REAL300012016134	0	42	0.0	-36.20	343.39	4.70	-31.50
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012016135	0	46	0.0	-40.63	387.96	8.40	-32.23
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012016136	0	40	0.0	-34.12	336.54	5.73	-28.39
CS(=O)(=O)C1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])SC=C1	REAL300012016137	0	40	0.0	-37.87	327.04	3.75	-34.12
CS(=O)(=O)C1=COC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016138	0	40	0.0	-46.30	334.79	2.09	-44.21
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012016139	0	40	0.0	-31.31	335.06	7.73	-23.58
CC(C)OC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1F	REAL300012016140	0	47	0.0	-36.17	366.99	7.47	-28.70
CCN1C=C(Cl)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=N1	REAL300012016141	0	40	0.0	-32.71	330.30	5.67	-27.04
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012016142	0	37	0.0	-31.65	315.82	7.21	-24.44
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012016143	0	43	0.0	-39.73	341.16	8.92	-30.81
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016144	0	40	0.0	-40.06	343.00	3.30	-36.76
CC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=NN1C1CCC1	REAL300012016145	0	47	0.0	-34.10	358.09	7.14	-26.96
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012016146	0	44	0.0	-36.20	362.58	8.10	-28.10
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016147	0	50	0.0	-31.33	373.11	7.42	-23.91
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012016148	0	40	0.0	-36.45	326.06	5.42	-31.03
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012016149	0	45	0.0	-27.85	367.45	8.01	-19.84
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016150	0	47	0.0	-35.93	370.08	7.29	-28.64
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012016151	0	40	0.0	-41.54	331.41	8.11	-33.43
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012016152	0	37	0.0	-31.82	329.38	7.66	-24.16
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012016153	0	36	0.0	-33.09	305.49	5.11	-27.98
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012016154	0	44	0.0	-36.55	352.25	7.66	-28.89
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016155	0	44	0.0	-30.63	343.14	4.71	-25.92
COC1=NC(C)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C)=C1Cl	REAL300012016156	0	46	0.0	-35.95	364.91	4.88	-31.07
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016157	0	46	0.0	-30.39	361.93	6.69	-23.70
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012016158	0	40	0.0	-37.83	324.41	5.25	-32.58
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012016159	0	41	0.0	-42.06	336.86	5.94	-36.12
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016160	0	53	0.0	-36.94	394.89	8.28	-28.66
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012016161	0	48	0.0	-36.60	366.06	5.30	-31.30
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016162	0	51	0.0	-37.38	384.97	5.79	-31.59
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012016163	0	42	0.0	-31.25	348.40	8.13	-23.12
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012016164	0	47	0.0	-35.17	352.80	6.72	-28.45
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016165	0	39	0.0	-39.77	336.58	0.70	-39.07
O=C([O-])C(CC1CCOC1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012016166	0	36	0.0	-31.82	316.82	5.58	-26.24
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012016167	0	52	0.0	-45.26	394.03	6.06	-39.20
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016168	0	50	0.0	-33.44	376.11	7.74	-25.70
CC1=CC(Br)=C(F)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016169	0	40	0.0	-38.94	338.61	8.06	-30.88
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012016170	0	37	0.0	-31.01	329.36	7.73	-23.28
COC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1Br	REAL300012016171	0	41	0.0	-36.64	330.38	6.40	-30.24
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012016172	0	37	0.0	-32.33	317.57	7.27	-25.06
CN1C=C(C2=CC=CC(C[NH2+]C(CC3CCOC3)C(=O)[O-])=C2)C=N1	REAL300012016173	0	47	0.0	-41.79	372.56	7.87	-33.92
COC1=CC(F)=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1Br	REAL300012016174	0	41	0.0	-37.15	344.78	6.60	-30.55
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012016175	0	47	0.0	-45.16	377.33	9.10	-36.06
CC1=CC=C(Br)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016176	0	40	0.0	-32.28	323.43	7.79	-24.49
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016177	0	42	0.0	-43.31	340.41	6.48	-36.83
COC1=NC2=CC=C(C[NH2+]C(CC3CCOC3)C(=O)[O-])C=C2S1	REAL300012016178	0	43	0.0	-39.15	355.17	4.52	-34.63
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012016179	0	36	0.0	-40.48	308.43	5.47	-35.01
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012016180	0	37	0.0	-29.09	322.74	7.61	-21.48
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016181	0	53	0.0	-32.55	399.17	9.33	-23.22
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012016182	0	37	0.0	-30.52	331.31	7.77	-22.75
COC1=CC(Cl)=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016183	0	41	0.0	-35.99	335.55	6.43	-29.56
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012016184	0	40	0.0	-42.73	338.63	7.89	-34.84
COC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CC(F)=C1F	REAL300012016185	0	41	0.0	-43.24	331.34	6.04	-37.20
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016186	0	44	0.0	-44.47	337.36	4.29	-40.18
COC(=O)C1=C(C)NC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1C	REAL300012016187	0	47	0.0	-40.96	374.32	6.34	-34.62
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016188	0	43	0.0	-32.37	346.19	8.14	-24.23
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012016189	0	38	0.0	-30.08	324.10	4.41	-25.67
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012016190	0	40	0.0	-34.86	332.51	5.64	-29.22
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012016191	0	53	0.0	-34.74	392.49	10.47	-24.27
COC1=CC=CC=C1C=CC[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016192	0	45	0.0	-33.69	346.43	7.03	-26.66
CC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])SC(Br)=C1	REAL300012016193	0	37	0.0	-33.20	317.30	6.75	-26.45
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016194	0	47	0.0	-37.13	356.39	6.95	-30.18
CC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=NN1CC(F)F	REAL300012016195	0	43	0.0	-40.58	341.56	5.78	-34.80
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012016196	0	45	0.0	-37.13	356.20	6.72	-30.41
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016197	0	46	0.0	-30.61	374.83	6.85	-23.76
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016198	0	49	0.0	-28.00	383.19	8.42	-19.58
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016199	0	44	0.0	-41.94	353.95	5.91	-36.03
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012016200	0	50	0.0	-33.57	389.80	10.84	-22.73
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1Br	REAL300012016201	0	37	0.0	-28.14	337.61	8.19	-19.95
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012016202	0	53	0.0	-38.37	410.68	7.75	-30.62
CCN(C)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C)=C1	REAL300012016203	0	51	0.0	-32.22	378.85	8.67	-23.55
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012016204	0	36	0.0	-34.21	315.43	5.63	-28.58
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012016205	0	34	0.0	-36.48	312.09	6.69	-29.79
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016206	0	58	0.0	-29.60	418.74	8.84	-20.76
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016207	0	48	0.0	-32.09	367.03	5.99	-26.10
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012016208	0	41	0.0	-36.23	352.79	7.04	-29.19
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012016209	0	47	0.0	-37.21	379.34	9.52	-27.69
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012016210	0	40	0.0	-34.79	325.00	7.78	-27.01
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012016211	0	46	0.0	-39.02	358.73	8.28	-30.74
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016212	0	59	0.0	-37.63	448.25	11.52	-26.11
CC1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1C(F)(F)F	REAL300012016213	0	43	0.0	-38.69	334.73	8.25	-30.44
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1Br	REAL300012016214	0	40	0.0	-29.32	347.11	8.29	-21.03
CCC(C)C1=CC=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=C1	REAL300012016215	0	49	0.0	-34.24	367.99	9.21	-25.03
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012016216	0	39	0.0	-39.16	334.92	5.81	-33.35
O=C([O-])C(CC1CCOC1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012016217	0	42	0.0	-40.49	354.37	6.98	-33.51
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012016218	0	44	0.0	-30.67	351.56	5.30	-25.37
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012016219	0	40	0.0	-36.49	349.62	8.65	-27.84
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016220	0	50	0.0	-30.90	391.32	9.24	-21.66
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=N1	REAL300012016221	0	42	0.0	-40.18	340.08	6.44	-33.74
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012016222	0	37	0.0	-31.42	322.74	7.38	-24.04
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012016223	0	37	0.0	-38.00	332.33	7.75	-30.25
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012016224	0	47	0.0	-30.73	342.35	8.73	-22.00
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012016225	0	39	0.0	-37.70	337.59	7.70	-30.00
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016226	0	44	0.0	-37.50	351.13	8.56	-28.94
COC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=CC(Br)=C1F	REAL300012016227	0	41	0.0	-38.72	348.12	6.79	-31.93
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012016228	0	40	0.0	-43.80	332.79	7.64	-36.16
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012016229	0	43	0.0	-41.87	343.34	6.41	-35.46
CC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012016230	0	46	0.0	-33.51	342.55	9.23	-24.28
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016231	0	55	0.0	-36.72	414.99	8.28	-28.44
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012016232	0	43	0.0	-34.80	353.86	9.39	-25.41
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016233	0	45	0.0	-30.85	351.85	5.92	-24.93
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012016234	0	50	0.0	-36.88	378.24	3.66	-33.22
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1CCOC1)C(=O)[O-]	REAL300012016235	0	49	0.0	-34.32	378.86	5.29	-29.03
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012016236	0	54	0.0	-44.67	400.32	9.03	-35.64
O=C([O-])C(CC1CCOC1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012016237	0	51	0.0	-31.51	403.13	10.16	-21.35
CC1=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012016238	0	45	0.0	-29.89	345.81	7.74	-22.15
CC1=CC(C[NH2+]C(CC2CCOC2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012016239	0	46	0.0	-40.70	362.20	7.99	-32.71
COC(=O)C1=CN(C)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1	REAL300012016240	0	44	0.0	-46.00	351.24	6.74	-39.26
COC1=CC=C(Br)C(C[NH2+]C(CC2CCOC2)C(=O)[O-])=C1O	REAL300012016241	0	42	0.0	-35.52	346.10	4.30	-31.22
CN1C=C(C[NH2+]C(CC2CCOC2)C(=O)[O-])C(C2CCC2)=N1	REAL300012016242	0	47	0.0	-34.56	362.16	6.93	-27.63
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=C1	REAL300012016243	0	39	0.0	-27.20	336.64	10.31	-16.89
CC1=CC=C(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016244	0	39	0.0	-27.30	336.64	10.31	-16.99
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012016245	0	38	0.0	-31.66	341.62	9.38	-22.28
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1CC2C=CC1C2	REAL300012016246	0	38	0.0	-29.97	318.49	9.60	-20.37
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1CCCCC1	REAL300012016247	0	39	0.0	-31.30	323.57	9.43	-21.87
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016248	0	45	0.0	-28.54	377.44	11.38	-17.16
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012016249	0	40	0.0	-27.40	356.52	8.88	-18.52
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012016250	0	30	0.0	-32.56	305.03	7.96	-24.60
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016251	0	43	0.0	-31.32	381.03	10.90	-20.42
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012016252	0	41	0.0	-28.30	363.96	9.05	-19.25
CCOC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1OC	REAL300012016253	0	44	0.0	-27.98	374.74	9.64	-18.34
CCCCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016254	0	49	0.0	-25.38	409.92	12.11	-13.27
CC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1C	REAL300012016255	0	39	0.0	-23.15	324.56	10.64	-12.51
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1C	REAL300012016256	0	39	0.0	-23.81	332.55	10.72	-13.09
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016257	0	43	0.0	-27.10	370.41	10.02	-17.08
CCCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OC	REAL300012016258	0	50	0.0	-28.40	419.06	11.27	-17.13
CCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OC	REAL300012016259	0	47	0.0	-27.76	396.24	10.44	-17.32
C=CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OC	REAL300012016260	0	45	0.0	-28.15	387.64	10.23	-17.92
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012016261	0	40	0.0	-33.29	379.63	11.51	-21.78
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012016262	0	40	0.0	-24.53	372.52	12.01	-12.52
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012016263	0	43	0.0	-30.19	378.31	11.19	-19.00
CCC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012016264	0	42	0.0	-23.38	365.22	11.47	-11.91
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012016265	0	39	0.0	-23.14	366.64	10.42	-12.72
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012016266	0	37	0.0	-27.50	338.64	9.39	-18.11
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012016267	0	37	0.0	-24.95	351.78	11.03	-13.92
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012016268	0	40	0.0	-22.65	354.06	7.25	-15.40
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(Cl)=C1	REAL300012016269	0	37	0.0	-25.44	342.67	8.76	-16.68
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012016270	0	37	0.0	-25.37	341.38	9.36	-16.01
N#CC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016271	0	34	0.0	-31.91	316.32	9.95	-21.96
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012016272	0	40	0.0	-29.04	357.31	9.43	-19.61
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016273	0	43	0.0	-38.70	376.98	9.73	-28.97
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012016274	0	37	0.0	-27.79	330.49	8.42	-19.37
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016275	0	44	0.0	-40.10	385.04	8.35	-31.75
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012016276	0	36	0.0	-28.50	339.45	10.48	-18.02
CCOC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012016277	0	52	0.0	-27.45	427.41	9.14	-18.31
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012016278	0	39	0.0	-30.54	347.28	9.55	-20.99
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])O2)C=C1	REAL300012016279	0	43	0.0	-33.04	384.30	11.67	-21.37
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])O1	REAL300012016280	0	40	0.0	-27.04	350.63	7.70	-19.34
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012016281	0	39	0.0	-34.66	348.63	6.93	-27.73
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012016282	0	48	0.0	-27.57	403.71	10.17	-17.40
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012016283	0	30	0.0	-31.12	309.83	8.83	-22.29
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012016284	0	40	0.0	-31.64	374.65	11.87	-19.77
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012016285	0	38	0.0	-27.39	342.48	9.62	-17.77
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016286	0	42	0.0	-32.70	371.40	8.03	-24.67
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012016287	0	40	0.0	-27.68	352.49	10.72	-16.96
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012016288	0	39	0.0	-35.31	355.94	11.63	-23.68
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012016289	0	40	0.0	-24.43	371.34	12.47	-11.96
CCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])O1	REAL300012016290	0	36	0.0	-30.69	325.39	8.79	-21.90
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012016291	0	33	0.0	-26.04	306.11	9.60	-16.44
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012016292	0	36	0.0	-22.72	344.72	10.98	-11.74
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012016293	0	33	0.0	-26.29	321.75	9.61	-16.68
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012016294	0	33	0.0	-28.04	316.73	10.07	-17.97
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012016295	0	36	0.0	-30.08	338.46	10.57	-19.51
CCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016296	0	40	0.0	-27.50	346.74	9.79	-17.71
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1F	REAL300012016297	0	36	0.0	-24.30	322.18	10.28	-14.02
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012016298	0	33	0.0	-23.34	321.34	10.40	-12.94
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012016299	0	36	0.0	-36.80	337.55	10.25	-26.55
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012016300	0	33	0.0	-28.81	314.39	9.75	-19.06
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012016301	0	36	0.0	-30.69	345.63	10.09	-20.60
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012016302	0	36	0.0	-23.48	337.39	10.55	-12.93
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(Cl)=C1OC	REAL300012016303	0	41	0.0	-28.25	377.16	8.89	-19.36
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012016304	0	36	0.0	-31.60	339.97	10.64	-20.96
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012016305	0	33	0.0	-28.84	318.05	10.14	-18.70
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012016306	0	37	0.0	-25.04	350.09	9.71	-15.33
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012016307	0	32	0.0	-22.98	302.38	8.19	-14.79
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016308	0	42	0.0	-29.93	367.86	8.73	-21.20
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016309	0	42	0.0	-27.95	381.43	9.01	-18.94
COCCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016310	0	44	0.0	-29.89	380.44	9.06	-20.83
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1Cl	REAL300012016311	0	37	0.0	-28.50	339.67	9.36	-19.14
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012016312	0	38	0.0	-25.27	355.72	8.49	-16.78
CC(C)N1C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=NC2=CC=CC=C21	REAL300012016313	1	45	0.0	-25.24	379.91	10.55	-14.69
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012016314	0	40	0.0	-30.26	366.32	10.26	-20.00
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012016315	0	39	0.0	-27.05	336.99	8.73	-18.32
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012016316	0	42	0.0	-26.30	362.93	9.05	-17.25
CCCN1C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=NC2=CC=CC=C21	REAL300012016317	1	45	0.0	-32.17	386.28	11.10	-21.07
CCCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016318	0	43	0.0	-27.36	368.31	10.59	-16.77
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012016319	0	40	0.0	-30.51	368.70	11.69	-18.82
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012016320	0	47	0.0	-26.68	388.86	11.73	-14.95
CC(C)OC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016321	0	43	0.0	-27.46	364.75	10.42	-17.04
CC1=CC=C(C2=NC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CS2)C=C1	REAL300012016322	0	42	0.0	-32.70	387.51	10.52	-22.18
CC(C)C1=NC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CS1	REAL300012016323	0	38	0.0	-31.18	348.17	8.05	-23.13
CC(C)(C)C1=NC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CS1	REAL300012016324	0	41	0.0	-21.78	362.09	9.10	-12.68
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012016325	0	36	0.0	-21.70	350.02	9.24	-12.46
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012016326	0	40	0.0	-24.78	369.72	12.41	-12.37
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016327	0	47	0.0	-33.82	409.40	9.96	-23.86
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012016328	0	47	0.0	-26.00	394.11	11.29	-14.71
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])S2)C=C1	REAL300012016329	0	43	0.0	-31.56	391.81	12.56	-19.00
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016330	0	37	0.0	-26.38	364.84	9.54	-16.84
CCOC1=C(OC)C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OC	REAL300012016331	0	48	0.0	-28.52	407.82	9.58	-18.94
COCCCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016332	0	47	0.0	-29.37	401.99	9.66	-19.71
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CN=C1Cl	REAL300012016333	0	35	0.0	-31.42	333.07	8.33	-23.09
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016334	0	41	0.0	-25.02	361.51	8.44	-16.58
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012016335	0	37	0.0	-25.09	347.36	9.61	-15.48
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])S2)C=C1	REAL300012016336	0	42	0.0	-25.48	381.81	11.27	-14.21
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012016337	0	38	0.0	-27.07	351.86	10.61	-16.46
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012016338	0	38	0.0	-28.07	339.53	10.09	-17.98
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012016339	0	38	0.0	-26.51	340.24	10.13	-16.38
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012016340	0	38	0.0	-28.58	349.69	10.53	-18.05
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012016341	0	40	0.0	-25.42	368.87	11.57	-13.85
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])O1	REAL300012016342	0	43	0.0	-23.51	381.26	12.16	-11.35
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])O2)C=C1	REAL300012016343	0	46	0.0	-32.86	405.78	12.43	-20.43
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(OC(F)F)=C1	REAL300012016344	0	41	0.0	-28.40	361.50	8.45	-19.95
COC1=CC=C2OC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CC2=C1	REAL300012016345	0	40	0.0	-25.14	351.42	9.33	-15.81
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012016346	0	37	0.0	-27.07	343.16	11.38	-15.69
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012016347	0	39	0.0	-26.82	341.48	10.63	-16.19
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012016348	0	36	0.0	-28.16	323.37	9.94	-18.22
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012016349	0	41	0.0	-24.49	360.90	11.27	-13.22
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1Br	REAL300012016350	0	36	0.0	-23.75	334.95	10.75	-13.00
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N=C1	REAL300012016351	0	35	0.0	-32.68	319.06	7.92	-24.76
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012016352	0	37	0.0	-30.33	338.34	10.96	-19.37
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1Br	REAL300012016353	0	36	0.0	-25.32	334.96	10.74	-14.58
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012016354	0	40	0.0	-23.99	353.03	10.64	-13.35
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012016355	0	30	0.0	-20.63	298.36	9.05	-11.58
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012016356	0	38	0.0	-26.24	347.94	9.91	-16.33
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012016357	0	37	0.0	-34.30	341.04	9.12	-25.18
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012016358	0	37	0.0	-25.92	332.43	9.53	-16.39
CCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=N1	REAL300012016359	0	39	0.0	-33.08	350.28	6.65	-26.43
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012016360	0	41	0.0	-26.79	355.39	10.72	-16.07
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1Cl	REAL300012016361	0	36	0.0	-24.75	329.61	10.61	-14.14
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012016362	0	35	0.0	-31.08	332.37	8.51	-22.57
CCCC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016363	0	42	0.0	-23.91	358.52	11.73	-12.18
CCN(CC)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1F	REAL300012016364	0	47	0.0	-28.71	395.93	10.74	-17.97
COC1=CC=C2N=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])SC2=C1	REAL300012016365	0	39	0.0	-28.73	362.91	7.87	-20.86
CN1C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=NC2=CC=C(Cl)C=C21	REAL300012016366	0	39	0.0	-34.47	366.57	9.97	-24.50
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1C#N	REAL300012016367	0	38	0.0	-34.76	345.17	9.28	-25.48
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012016368	0	37	0.0	-25.88	345.21	10.83	-15.05
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016369	0	39	0.0	-22.24	340.10	10.97	-11.27
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012016370	0	37	0.0	-29.59	340.94	9.21	-20.38
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N=C1	REAL300012016371	0	39	0.0	-33.18	349.06	7.47	-25.71
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016372	0	39	0.0	-30.07	356.12	10.71	-19.36
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012016373	0	41	0.0	-32.79	379.20	8.86	-23.93
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OCC(C)C	REAL300012016374	0	50	0.0	-27.12	417.67	11.17	-15.95
CCCOC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1OC	REAL300012016375	0	47	0.0	-27.29	397.56	10.49	-16.80
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Br)S1	REAL300012016376	0	30	0.0	-31.21	314.47	8.94	-22.27
C=CCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016377	0	41	0.0	-27.05	358.33	10.33	-16.72
COC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1OC(C)C	REAL300012016378	0	47	0.0	-25.37	386.23	10.15	-15.22
CCCOC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=CC=C1OCC	REAL300012016379	0	50	0.0	-26.82	416.15	11.41	-15.41
CCCCOC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1OC	REAL300012016380	0	50	0.0	-27.28	419.06	11.27	-16.01
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OC(F)F	REAL300012016381	0	41	0.0	-26.42	363.97	9.06	-17.36
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012016382	0	43	0.0	-31.23	377.74	10.02	-21.21
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-])OC(C)C2	REAL300012016383	0	48	0.0	-25.93	402.48	10.46	-15.47
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012016384	0	43	0.0	-34.92	376.35	8.13	-26.79
CCCCN1N=C(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1Cl	REAL300012016385	0	45	0.0	-24.88	398.34	10.61	-14.27
CC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1C	REAL300012016386	0	42	0.0	-23.01	345.29	11.28	-11.73
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012016387	0	40	0.0	-30.63	368.26	11.80	-18.83
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012016388	0	40	0.0	-39.65	376.21	11.13	-28.52
CC(C)(C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012016389	0	42	0.0	-31.68	350.65	10.81	-20.87
CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012016390	0	49	0.0	-29.76	409.39	10.63	-19.13
CC1CCC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])CC1	REAL300012016391	0	42	0.0	-23.19	327.09	10.18	-13.01
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016392	0	45	0.0	-33.10	380.28	11.95	-21.15
CCC1CCCC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C1	REAL300012016393	0	45	0.0	-24.22	344.16	10.73	-13.49
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-])=N2	REAL300012016394	0	45	0.0	-25.38	384.68	9.68	-15.70
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016395	0	39	0.0	-24.19	347.95	10.59	-13.60
CC1=C(C)C=C2OC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CC2=C1	REAL300012016396	0	42	0.0	-33.22	368.73	10.83	-22.39
CCCC1CCC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])CC1	REAL300012016397	0	48	0.0	-23.35	374.00	11.81	-11.54
CC1CCCCC1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016398	0	42	0.0	-23.05	323.70	10.03	-13.02
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012016399	0	40	0.0	-27.20	364.27	9.77	-17.43
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012016400	0	40	0.0	-35.77	358.52	11.48	-24.29
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012016401	0	40	0.0	-25.53	364.06	11.57	-13.96
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012016402	0	39	0.0	-32.98	363.12	8.79	-24.19
CCCCC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012016403	0	48	0.0	-22.41	405.84	12.96	-9.45
COC1=CC=C(C)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016404	0	40	0.0	-25.13	343.69	9.55	-15.58
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1F	REAL300012016405	0	37	0.0	-30.70	331.19	8.93	-21.77
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012016406	0	42	0.0	-26.27	344.95	10.51	-15.76
CC(C)C1CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])CCO1	REAL300012016407	0	46	0.0	-24.75	364.75	9.55	-15.20
CC1(C)CCC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])CC1	REAL300012016408	0	45	0.0	-31.32	357.63	10.32	-21.00
CCSC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016409	0	40	0.0	-27.50	357.07	11.42	-16.08
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012016410	1	34	0.0	-23.15	326.63	7.30	-15.85
COC1(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])CCCCC1	REAL300012016411	0	43	0.0	-26.60	345.68	8.45	-18.15
CCN1N=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012016412	0	42	0.0	-31.61	374.41	9.89	-21.72
COCCC1(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])CCCCC1	REAL300012016413	0	49	0.0	-24.78	371.10	9.68	-15.10
CCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016414	0	43	0.0	-26.08	368.24	10.59	-15.49
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012016415	0	36	0.0	-32.38	328.28	9.55	-22.83
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012016416	0	40	0.0	-33.17	362.90	10.99	-22.18
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012016417	0	47	0.0	-28.51	394.00	10.29	-18.22
CCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OCC	REAL300012016418	0	50	0.0	-27.21	419.41	11.41	-15.80
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012016419	0	38	0.0	-35.22	339.67	10.76	-24.46
CC(C)OC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016420	0	43	0.0	-24.67	363.35	10.37	-14.30
CC(C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012016421	0	54	0.0	-24.52	425.25	13.83	-10.69
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1F	REAL300012016422	0	36	0.0	-26.00	322.19	10.27	-15.73
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012016423	0	37	0.0	-28.96	332.62	9.06	-19.90
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(Br)C=CS1	REAL300012016424	0	30	0.0	-23.70	305.07	9.21	-14.49
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012016425	0	46	0.0	-26.96	383.98	8.52	-18.44
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012016426	0	33	0.0	-22.95	313.00	10.02	-12.93
CC(C)CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016427	0	45	0.0	-24.37	376.53	12.25	-12.12
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=C2)C=C1	REAL300012016428	0	46	0.0	-24.74	389.75	13.60	-11.14
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012016429	0	39	0.0	-30.36	350.98	10.29	-20.07
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012016430	0	33	0.0	-30.29	336.11	10.11	-20.18
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012016431	0	33	0.0	-25.04	317.21	10.10	-14.94
CC1=CC=CC(C)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016432	0	39	0.0	-22.76	325.31	10.55	-12.21
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012016433	0	30	0.0	-23.79	296.52	8.29	-15.50
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016434	0	46	0.0	-27.04	391.45	13.65	-13.39
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012016435	0	37	0.0	-27.77	333.40	9.10	-18.67
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OCC	REAL300012016436	0	47	0.0	-27.37	397.91	10.61	-16.76
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012016437	0	33	0.0	-26.06	322.79	9.57	-16.49
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012016438	0	36	0.0	-30.12	347.36	10.98	-19.14
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012016439	0	33	0.0	-25.74	325.34	9.72	-16.02
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012016440	0	37	0.0	-27.56	341.46	9.36	-18.20
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012016441	0	33	0.0	-25.72	316.43	10.06	-15.66
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012016442	0	33	0.0	-30.41	313.31	9.16	-21.25
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012016443	0	33	0.0	-27.29	324.40	9.62	-17.67
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C2=CC=CC=C12	REAL300012016444	0	43	0.0	-26.29	361.30	10.97	-15.32
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012016445	0	40	0.0	-28.90	357.59	8.94	-19.96
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012016445	1	40	0.0	-23.81	353.80	9.47	-14.34
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012016446	0	33	0.0	-27.93	314.51	9.19	-18.74
CN1C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=NC2=CC=CC=C21	REAL300012016447	0	39	0.0	-32.27	341.81	9.91	-22.36
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=N1	REAL300012016448	0	36	0.0	-31.97	327.54	5.72	-26.25
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012016449	0	38	0.0	-30.69	336.39	8.87	-21.82
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC(Br)=C1	REAL300012016450	0	30	0.0	-25.67	305.72	9.19	-16.48
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012016451	0	43	0.0	-26.94	369.68	12.97	-13.97
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012016452	0	44	0.0	-24.85	367.99	9.43	-15.42
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012016453	0	37	0.0	-29.11	333.76	9.12	-19.99
CC1=CC(F)=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016454	0	36	0.0	-29.48	323.79	9.78	-19.70
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012016455	0	33	0.0	-28.73	322.46	10.23	-18.50
CC1=NC(C)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016456	0	35	0.0	-28.60	326.25	7.49	-21.11
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012016457	0	42	0.0	-25.39	367.11	11.44	-13.95
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012016458	0	42	0.0	-29.98	364.61	11.21	-18.77
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012016459	0	42	0.0	-27.10	363.56	11.17	-15.93
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016460	0	48	0.0	-24.15	389.45	10.10	-14.05
CN1CCN(C2=CC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])C=C2)CC1	REAL300012016461	1	50	0.0	-25.47	404.61	8.27	-17.20
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012016462	0	42	0.0	-33.82	383.98	7.60	-26.22
CNC(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016463	0	40	0.0	-34.18	351.86	7.85	-26.33
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012016464	0	40	0.0	-29.86	359.31	10.80	-19.06
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012016465	0	40	0.0	-29.97	370.95	11.30	-18.67
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012016466	0	40	0.0	-28.47	364.99	10.21	-18.26
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012016467	0	39	0.0	-29.59	346.60	11.27	-18.32
COC1=C2OC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CC2=CC=C1	REAL300012016468	0	40	0.0	-35.70	357.79	8.84	-26.86
CC(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012016469	0	44	0.0	-34.47	379.22	12.02	-22.45
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012016470	0	33	0.0	-25.53	321.00	10.16	-15.37
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012016471	0	33	0.0	-26.02	327.36	9.67	-16.35
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC(OC)=C1	REAL300012016472	0	41	0.0	-31.20	361.65	7.71	-23.49
COC1=CC2=CC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])C=C2C=C1	REAL300012016473	0	43	0.0	-31.72	378.11	10.66	-21.06
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(Br)=CS1	REAL300012016475	0	30	0.0	-29.03	314.35	8.83	-20.20
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016476	0	46	0.0	-26.07	390.87	11.63	-14.44
COC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1OC(F)F	REAL300012016477	0	41	0.0	-29.22	369.50	8.68	-20.54
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012016478	0	37	0.0	-33.39	361.77	9.63	-23.76
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012016479	0	39	0.0	-40.04	350.76	8.07	-31.97
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012016481	0	33	0.0	-28.02	321.14	10.17	-17.85
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012016482	0	48	0.0	-24.36	387.07	10.80	-13.56
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016483	0	52	0.0	-26.63	431.49	12.89	-13.74
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1SC	REAL300012016484	0	41	0.0	-28.24	364.38	9.91	-18.33
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016485	0	44	0.0	-34.25	387.85	11.07	-23.18
CCC(C)OC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1OC	REAL300012016486	0	50	0.0	-27.17	414.74	11.09	-16.08
C=C(C)COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1OC	REAL300012016487	0	48	0.0	-28.58	408.37	11.04	-17.54
C=CCC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC(OC)=C1O	REAL300012016488	0	45	0.0	-32.07	397.52	8.25	-23.82
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012016489	0	40	0.0	-32.00	359.81	8.95	-23.05
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016490	0	42	0.0	-27.29	372.34	10.48	-16.81
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012016491	0	39	0.0	-37.77	353.40	8.85	-28.92
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012016492	1	39	0.0	-29.64	358.61	10.33	-19.31
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012016493	0	46	0.0	-25.29	381.33	8.33	-16.96
CN1C=NC2=CC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CC=C21	REAL300012016494	0	39	0.0	-32.64	342.52	10.86	-21.78
CCN1N=C(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1C	REAL300012016495	0	42	0.0	-28.46	365.03	8.71	-19.75
C=CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1Cl	REAL300012016496	0	41	0.0	-28.55	374.42	10.88	-17.67
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012016497	0	39	0.0	-30.17	365.44	10.05	-20.12
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012016498	0	45	0.0	-27.21	380.56	9.40	-17.81
CC1(C)CC2=CC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CC=C2O1	REAL300012016499	0	44	0.0	-31.31	379.98	10.35	-20.96
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012016500	0	39	0.0	-23.05	350.80	7.94	-15.11
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012016501	0	36	0.0	-33.28	356.97	8.85	-24.43
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016502	0	43	0.0	-27.21	377.94	9.54	-17.67
CC1=CC=C(F)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016503	0	36	0.0	-21.20	320.06	10.24	-10.96
CC1=CC=C(F)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016504	0	36	0.0	-22.08	311.60	10.08	-12.00
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012016505	0	36	0.0	-31.07	358.11	10.60	-20.47
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(Br)=C1	REAL300012016506	0	36	0.0	-25.12	340.35	10.32	-14.80
CC1=NC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016507	0	35	0.0	-26.11	304.23	8.28	-17.83
CC(C)COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016508	0	46	0.0	-25.88	388.34	11.29	-14.59
COCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016509	0	44	0.0	-27.97	379.05	9.02	-18.95
CC1(C)CCCC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C1	REAL300012016510	0	45	0.0	-24.69	350.37	10.77	-13.92
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012016511	0	37	0.0	-28.55	350.74	9.69	-18.86
CC1=CCCC(C)C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016512	0	43	0.0	-22.01	337.73	10.58	-11.43
COC1=CC2=C(C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-])OCO2	REAL300012016513	0	40	0.0	-26.60	348.30	7.54	-19.06
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012016514	0	38	0.0	-30.39	338.99	9.46	-20.93
CC(C)COC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016515	0	46	0.0	-26.54	387.10	11.25	-15.29
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016516	0	36	0.0	-28.01	331.96	10.16	-17.85
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012016517	0	37	0.0	-27.62	332.84	10.93	-16.69
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012016518	0	32	0.0	-34.31	314.36	7.74	-26.57
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012016519	0	32	0.0	-29.92	316.66	7.84	-22.08
CN1N=NC2=CC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CC=C21	REAL300012016520	0	38	0.0	-35.39	339.45	8.01	-27.38
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1CCCCCC1	REAL300012016521	0	42	0.0	-31.13	335.48	9.81	-21.32
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=C2O1	REAL300012016522	0	44	0.0	-27.54	371.39	10.75	-16.79
COC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=N1	REAL300012016523	0	36	0.0	-32.84	327.66	5.68	-27.16
CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012016524	0	43	0.0	-25.06	374.85	10.71	-14.35
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012016525	0	40	0.0	-33.05	352.42	10.72	-22.33
CC(C)N1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=N1	REAL300012016526	0	39	0.0	-25.37	338.40	8.76	-16.61
CC1=C(Br)SC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016527	0	33	0.0	-22.84	326.96	10.00	-12.84
CC1=NC2=CC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])C=C2C=C1	REAL300012016528	0	41	0.0	-32.75	365.35	10.07	-22.68
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012016529	0	35	0.0	-28.75	318.19	7.92	-20.83
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])C=C2)=C1	REAL300012016530	0	49	0.0	-26.40	412.41	14.30	-12.10
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012016531	0	42	0.0	-29.42	364.38	13.02	-16.40
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012016532	0	36	0.0	-24.81	329.68	10.16	-14.65
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012016533	0	40	0.0	-30.93	358.43	10.07	-20.86
COCC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016534	0	40	0.0	-26.21	349.20	9.24	-16.97
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016535	0	46	0.0	-26.78	395.56	10.97	-15.81
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012016536	0	43	0.0	-27.53	376.64	9.87	-17.66
COC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OC	REAL300012016537	0	44	0.0	-32.11	376.14	8.90	-23.21
CN1C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300012016538	0	39	0.0	-35.63	363.62	9.88	-25.75
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012016539	0	37	0.0	-23.99	340.91	8.38	-15.61
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012016540	0	43	0.0	-27.37	384.73	11.26	-16.11
CC(C)(C)C1CCC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])CC1	REAL300012016542	0	51	0.0	-23.40	376.55	11.58	-11.82
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C(C)O1	REAL300012016543	0	36	0.0	-23.30	317.06	9.18	-14.12
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012016544	0	44	0.0	-24.82	377.10	11.33	-13.49
COC1=CC(Cl)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1Cl	REAL300012016545	0	37	0.0	-28.17	355.52	9.28	-18.89
CC(C)CC1=NC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016546	0	41	0.0	-24.14	361.91	9.70	-14.44
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012016547	0	36	0.0	-30.47	357.39	9.12	-21.35
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012016548	0	36	0.0	-30.75	358.81	9.07	-21.68
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])S2)O1	REAL300012016549	0	39	0.0	-32.94	372.36	9.03	-23.91
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016550	0	36	0.0	-27.96	336.53	10.26	-17.70
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012016551	0	40	0.0	-30.03	345.03	9.44	-20.59
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012016552	0	42	0.0	-29.27	375.44	10.70	-18.57
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012016553	0	36	0.0	-22.11	338.26	10.47	-11.64
COCCOC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016554	0	44	0.0	-29.12	386.19	8.65	-20.47
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012016555	0	36	0.0	-26.72	331.89	8.23	-18.49
CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012016556	0	40	0.0	-27.16	368.30	9.52	-17.64
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016557	0	37	0.0	-26.46	324.89	8.86	-17.60
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012016558	0	40	0.0	-33.78	369.30	11.06	-22.72
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016559	0	41	0.0	-28.72	367.24	8.81	-19.91
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012016560	0	39	0.0	-26.31	339.97	8.73	-17.58
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012016561	0	33	0.0	-27.00	316.68	10.18	-16.82
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012016562	0	33	0.0	-26.94	312.11	10.08	-16.86
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012016563	0	40	0.0	-26.66	352.89	10.73	-15.93
CC(C)(C)N1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=N1	REAL300012016564	0	42	0.0	-29.55	364.02	8.88	-20.67
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC(C)=C1	REAL300012016565	0	39	0.0	-28.12	343.30	10.35	-17.77
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(CO)O1	REAL300012016566	0	34	0.0	-34.11	315.31	4.67	-29.44
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CS1	REAL300012016567	0	30	0.0	-22.97	285.61	8.67	-14.30
CC(=O)NC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016568	0	40	0.0	-33.65	351.74	8.45	-25.20
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012016569	0	33	0.0	-20.90	305.94	9.99	-10.91
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012016570	0	35	0.0	-34.57	322.28	10.19	-24.38
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012016571	0	35	0.0	-30.24	322.28	10.19	-20.05
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012016572	0	39	0.0	-25.62	332.97	11.62	-14.00
CN(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016573	0	41	0.0	-25.27	347.90	9.99	-15.28
CCN(CC)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016574	0	47	0.0	-24.61	390.51	11.87	-12.74
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012016575	0	33	0.0	-24.79	315.36	10.15	-14.64
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012016576	0	33	0.0	-24.81	310.79	10.04	-14.77
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC(OC)=C1OC	REAL300012016577	0	45	0.0	-28.55	385.97	8.64	-19.91
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012016578	0	33	0.0	-28.11	319.85	9.46	-18.65
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012016579	0	33	0.0	-26.04	301.79	9.63	-16.41
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012016580	0	37	0.0	-27.88	338.30	8.66	-19.22
COC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1OC	REAL300012016581	0	41	0.0	-27.97	354.24	8.84	-19.13
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012016582	0	33	0.0	-24.95	329.93	9.98	-14.97
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012016583	0	46	0.0	-31.19	386.56	7.93	-23.26
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OC	REAL300012016584	0	41	0.0	-28.13	352.89	8.72	-19.41
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(OC)=C1	REAL300012016585	0	41	0.0	-27.94	360.25	7.76	-20.18
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012016586	0	36	0.0	-31.34	339.97	10.06	-21.28
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012016587	0	33	0.0	-27.42	314.62	9.19	-18.23
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012016588	0	33	0.0	-25.50	329.21	9.96	-15.54
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012016589	0	33	0.0	-27.27	326.05	10.48	-16.79
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012016590	0	37	0.0	-26.09	333.32	9.10	-16.99
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012016591	0	36	0.0	-35.95	331.24	10.17	-25.78
CCCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016592	0	46	0.0	-26.11	389.74	11.37	-14.74
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016593	0	49	0.0	-25.32	405.98	11.85	-13.47
CCCCCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016594	0	52	0.0	-26.03	432.74	12.93	-13.10
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012016595	0	44	0.0	-29.37	384.15	12.40	-16.97
COC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016596	0	37	0.0	-27.57	324.96	8.87	-18.70
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016597	0	40	0.0	-24.47	341.80	11.29	-13.18
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OC	REAL300012016598	0	44	0.0	-28.70	376.06	9.68	-19.02
CC(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016599	0	42	0.0	-23.78	354.28	11.45	-12.33
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012016600	0	36	0.0	-28.07	333.20	10.54	-17.53
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(OC)=C1OC	REAL300012016601	0	45	0.0	-27.69	392.29	8.23	-19.46
CCOC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016602	0	40	0.0	-26.05	350.41	9.31	-16.74
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016603	0	40	0.0	-26.31	346.74	9.79	-16.52
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1F	REAL300012016604	0	33	0.0	-21.54	298.62	9.57	-11.97
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012016605	0	33	0.0	-27.90	301.79	9.63	-18.27
COC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016606	0	37	0.0	-26.37	323.47	8.94	-17.43
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])SC=C1	REAL300012016607	0	33	0.0	-28.90	311.41	8.78	-20.12
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012016608	0	43	0.0	-25.65	368.28	12.94	-12.71
CC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016609	0	36	0.0	-28.16	317.44	9.71	-18.45
COC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012016610	0	43	0.0	-24.85	364.43	11.00	-13.85
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016611	0	36	0.0	-29.32	323.97	9.78	-19.54
N#CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016612	0	34	0.0	-28.80	314.92	9.92	-18.88
CSC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016613	0	37	0.0	-25.61	334.28	10.55	-15.06
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012016614	0	33	0.0	-21.80	320.51	10.29	-11.51
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016615	0	45	0.0	-30.58	389.41	7.67	-22.91
CC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016616	0	36	0.0	-24.03	315.54	10.19	-13.84
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC=C1	REAL300012016617	0	30	0.0	-23.96	284.12	8.46	-15.50
CCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016618	0	39	0.0	-23.87	336.95	10.96	-12.91
CC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=C1	REAL300012016619	0	42	0.0	-22.73	346.74	11.21	-11.52
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012016620	0	33	0.0	-24.75	304.68	9.56	-15.19
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012016621	0	33	0.0	-29.90	308.16	9.69	-20.21
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016622	0	33	0.0	-28.81	312.51	8.93	-19.88
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1Br	REAL300012016623	0	33	0.0	-20.73	309.51	10.11	-10.62
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1O	REAL300012016624	0	38	0.0	-28.66	334.40	6.66	-22.00
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016625	0	39	0.0	-28.73	343.21	7.84	-20.89
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016626	0	36	0.0	-24.70	332.21	8.16	-16.54
CCC1=NN(C)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016627	0	39	0.0	-27.43	337.37	8.62	-18.81
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012016628	0	36	0.0	-33.12	337.61	8.74	-24.38
CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012016629	0	45	0.0	-25.88	361.73	9.49	-16.39
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Cl)O1	REAL300012016630	0	30	0.0	-32.63	300.39	7.85	-24.78
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016631	0	45	0.0	-29.86	389.56	11.42	-18.44
CCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1OC	REAL300012016632	0	44	0.0	-26.66	374.72	9.72	-16.94
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OCC(N)=O	REAL300012016633	0	45	0.0	-38.82	392.79	6.73	-32.09
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016634	0	39	0.0	-27.17	356.19	9.86	-17.31
CC1=NOC(C)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016635	0	35	0.0	-27.45	312.59	8.34	-19.11
CC1=NC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CS1	REAL300012016636	0	32	0.0	-31.91	307.82	6.78	-25.13
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012016637	0	40	0.0	-27.73	349.72	7.46	-20.27
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012016638	0	39	0.0	-33.71	354.83	8.81	-24.90
COC1=CC2=C(C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-])OC(C)C2	REAL300012016639	0	45	0.0	-25.11	379.25	9.49	-15.62
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CS1	REAL300012016640	1	42	0.0	-42.09	379.01	8.86	-33.23
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1C	REAL300012016641	0	40	0.0	-25.64	343.71	9.56	-16.08
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016642	0	42	0.0	-28.46	351.23	7.87	-20.59
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016643	0	41	0.0	-25.27	351.69	8.29	-16.98
COC1=CC=C(F)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016644	0	37	0.0	-23.85	329.46	8.89	-14.96
CSC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016645	0	34	0.0	-29.36	333.93	9.35	-20.01
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016646	0	46	0.0	-22.60	379.13	13.13	-9.47
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012016647	0	36	0.0	-29.36	320.15	8.17	-21.19
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012016648	0	30	0.0	-24.35	300.90	9.12	-15.23
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016649	0	39	0.0	-32.66	354.76	7.05	-25.61
COC1=CC=C(F)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016650	0	37	0.0	-24.74	328.67	8.95	-15.79
NC(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016651	0	37	0.0	-34.01	329.93	6.35	-27.66
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1F	REAL300012016652	0	37	0.0	-27.32	329.87	8.88	-18.44
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016653	0	37	0.0	-25.12	340.32	9.43	-15.69
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=CS1	REAL300012016654	0	29	0.0	-24.95	278.82	6.77	-18.18
COC(=O)C1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CN1C	REAL300012016655	0	40	0.0	-39.14	362.06	9.29	-29.85
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1Cl	REAL300012016656	0	36	0.0	-23.84	330.92	10.67	-13.17
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1C	REAL300012016657	0	40	0.0	-25.95	345.04	9.61	-16.34
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC=N1	REAL300012016658	0	29	0.0	-32.75	287.18	6.10	-26.65
CC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1F	REAL300012016659	0	36	0.0	-28.64	321.35	10.23	-18.41
N#CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(F)=C1	REAL300012016660	0	34	0.0	-30.35	326.88	9.43	-20.92
CC1=NNC(C)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016661	0	36	0.0	-28.95	323.05	6.64	-22.31
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012016662	0	32	0.0	-32.29	316.78	7.79	-24.50
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012016663	0	42	0.0	-31.35	376.25	6.42	-24.93
C#CCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016664	0	42	0.0	-26.63	374.02	11.11	-15.52
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012016665	0	36	0.0	-24.38	321.04	10.03	-14.35
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])C=C12	REAL300012016666	0	41	0.0	-28.96	360.33	9.25	-19.71
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012016667	0	36	0.0	-32.67	339.01	8.32	-24.35
CCC1=NC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CS1	REAL300012016668	0	35	0.0	-31.62	329.31	7.53	-24.09
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012016669	0	36	0.0	-35.08	346.28	10.11	-24.97
CC1=NN(C)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016670	0	36	0.0	-29.63	322.86	7.42	-22.21
CCOCC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1OC	REAL300012016671	0	47	0.0	-24.18	399.05	9.78	-14.40
CCN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=N1	REAL300012016672	0	36	0.0	-29.42	319.73	8.23	-21.19
CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N=N1	REAL300012016673	0	32	0.0	-24.93	290.94	6.02	-18.91
NC(=O)C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016674	0	37	0.0	-36.31	330.01	6.34	-29.97
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012016675	0	36	0.0	-24.16	330.68	8.97	-15.19
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1CCCCCCC1	REAL300012016676	0	45	0.0	-30.42	345.25	10.29	-20.13
CC1=CSC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=N1	REAL300012016677	0	32	0.0	-27.00	309.23	6.83	-20.17
COC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1F	REAL300012016678	0	37	0.0	-27.46	336.20	8.39	-19.07
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012016679	0	33	0.0	-27.70	323.88	9.53	-18.17
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012016680	0	40	0.0	-29.56	348.10	11.01	-18.55
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC=C1Br	REAL300012016681	0	30	0.0	-25.31	310.95	8.61	-16.70
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016682	0	46	0.0	-26.69	387.90	10.70	-15.99
CCN1N=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016683	0	36	0.0	-25.21	307.20	7.86	-17.35
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012016684	1	39	0.0	-26.98	343.91	9.30	-17.68
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012016685	0	33	0.0	-25.57	323.09	10.25	-15.32
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012016686	0	38	0.0	-32.93	343.65	9.57	-23.36
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012016687	0	33	0.0	-25.55	323.33	9.65	-15.90
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])SC=N1	REAL300012016688	0	32	0.0	-28.95	304.01	6.75	-22.20
COC1=CC(F)=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016689	0	37	0.0	-30.92	338.56	8.47	-22.45
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012016690	0	33	0.0	-27.27	328.81	9.73	-17.54
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=N1	REAL300012016691	0	43	0.0	-26.28	365.76	9.47	-16.81
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=CS1	REAL300012016692	0	33	0.0	-22.84	300.73	9.23	-13.61
CS(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016693	0	38	0.0	-39.26	347.60	8.16	-31.10
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012016694	0	43	0.0	-28.08	363.10	11.51	-16.57
N#CC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=N1	REAL300012016695	0	33	0.0	-41.28	318.59	7.57	-33.71
COC(=O)C1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CN1	REAL300012016696	0	37	0.0	-33.83	335.72	7.96	-25.87
COCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])O1	REAL300012016697	0	37	0.0	-33.16	337.57	7.07	-26.09
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=C1OC	REAL300012016698	0	44	0.0	-29.78	374.24	8.90	-20.88
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012016699	0	30	0.0	-25.88	323.54	9.10	-16.78
CC1=NC(F)=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016700	0	35	0.0	-28.14	308.52	8.20	-19.94
COC1=CC(C)=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016701	0	40	0.0	-27.23	352.20	9.12	-18.11
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CS1	REAL300012016702	0	33	0.0	-28.91	314.51	8.85	-20.06
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N=N1	REAL300012016703	0	34	0.0	-24.23	306.90	7.27	-16.96
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012016704	0	32	0.0	-25.75	320.13	7.93	-17.82
CN1N=NC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016705	0	32	0.0	-32.17	297.38	5.47	-26.70
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016706	0	39	0.0	-35.12	356.15	7.07	-28.05
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012016707	0	30	0.0	-29.22	309.75	8.72	-20.50
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012016708	0	46	0.0	-29.14	386.82	12.32	-16.82
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N(C)N=C1	REAL300012016709	0	36	0.0	-24.81	316.37	7.74	-17.07
CC1=CC(Cl)=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016710	0	36	0.0	-30.25	338.63	10.19	-20.06
COCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016711	0	40	0.0	-25.55	349.13	9.25	-16.30
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012016713	0	40	0.0	-23.98	343.28	11.63	-12.35
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012016714	0	29	0.0	-26.05	302.34	6.79	-19.26
C=CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=N1	REAL300012016715	0	34	0.0	-26.82	309.99	8.57	-18.25
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012016716	0	43	0.0	-25.61	361.62	10.05	-15.56
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016717	0	43	0.0	-27.05	374.23	10.65	-16.40
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012016718	0	36	0.0	-28.29	328.23	10.46	-17.83
COC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=N1	REAL300012016719	0	42	0.0	-28.65	360.40	6.74	-21.91
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016720	0	37	0.0	-23.71	337.60	9.34	-14.37
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016721	0	43	0.0	-24.56	355.37	10.04	-14.52
CC1=NC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012016722	0	43	0.0	-25.10	373.17	11.79	-13.31
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=NN1C	REAL300012016723	0	36	0.0	-25.06	314.71	7.82	-17.24
CCCN1N=C(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1C	REAL300012016724	0	45	0.0	-31.19	385.50	9.42	-21.77
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012016725	0	38	0.0	-31.31	342.49	8.68	-22.63
COCCN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=N1	REAL300012016726	0	40	0.0	-29.52	353.40	7.28	-22.24
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012016727	0	43	0.0	-29.20	368.41	11.69	-17.51
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012016728	0	43	0.0	-26.51	368.61	11.12	-15.39
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1F	REAL300012016729	0	40	0.0	-29.98	351.72	9.83	-20.15
COC1=CC=CC2=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])C=CC=C12	REAL300012016730	0	43	0.0	-28.85	371.90	10.59	-18.26
N#CC1=CSC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016731	0	31	0.0	-32.64	311.75	8.55	-24.09
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1C#N	REAL300012016732	0	38	0.0	-30.93	343.85	9.24	-21.69
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016733	0	43	0.0	-24.22	369.43	11.42	-12.80
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012016734	0	32	0.0	-26.94	320.81	7.87	-19.07
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1C#N	REAL300012016735	0	37	0.0	-28.66	334.15	10.41	-18.25
CC1=CN=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016736	0	32	0.0	-26.98	302.16	7.49	-19.49
CC(C)CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=N1	REAL300012016737	0	42	0.0	-24.83	359.74	9.73	-15.10
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012016738	0	40	0.0	-22.80	332.97	11.39	-11.41
CC1=CC(Br)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016739	0	33	0.0	-25.72	334.21	9.55	-16.17
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016740	0	48	0.0	-31.52	403.76	12.23	-19.29
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CC=C21	REAL300012016742	0	44	0.0	-35.09	376.36	9.92	-25.17
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016743	0	40	0.0	-26.25	354.76	9.87	-16.38
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012016744	0	39	0.0	-32.64	372.19	10.36	-22.28
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016745	0	42	0.0	-28.73	363.08	8.81	-19.92
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012016746	0	42	0.0	-24.77	367.30	10.19	-14.58
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012016747	0	36	0.0	-25.05	333.30	9.20	-15.85
CC(C)C1=NC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016748	0	38	0.0	-28.85	349.37	8.33	-20.52
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012016749	0	36	0.0	-32.21	348.30	8.13	-24.08
CN1C=C(C2=CC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])C=C2)C=N1	REAL300012016750	0	43	0.0	-30.62	375.51	10.87	-19.75
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012016751	0	36	0.0	-29.05	331.40	8.48	-20.57
CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012016752	0	43	0.0	-24.99	381.18	10.79	-14.20
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N1	REAL300012016753	0	41	0.0	-37.50	357.53	7.20	-30.30
NC(=O)C1=CSC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016754	0	34	0.0	-33.33	320.48	5.38	-27.95
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016755	0	45	0.0	-28.59	387.52	9.32	-19.27
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012016756	0	39	0.0	-24.10	348.69	9.63	-14.47
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012016757	0	40	0.0	-26.25	357.88	7.75	-18.50
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N=N1	REAL300012016758	0	42	0.0	-24.08	368.13	10.26	-13.82
CN1N=C(Br)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016759	0	33	0.0	-29.77	324.89	7.18	-22.59
CN1C=C(C2=CC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])S2)C=N1	REAL300012016760	0	40	0.0	-27.62	369.41	10.25	-17.37
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012016761	0	45	0.0	-31.58	379.57	9.92	-21.66
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016762	0	40	0.0	-24.83	357.77	10.32	-14.51
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016763	0	39	0.0	-25.00	339.54	10.19	-14.81
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012016764	0	33	0.0	-33.06	334.28	10.06	-23.00
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012016765	0	33	0.0	-34.49	318.12	6.94	-27.55
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016766	0	44	0.0	-26.51	381.02	9.95	-16.56
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012016767	0	37	0.0	-24.07	344.03	9.39	-14.68
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012016768	0	40	0.0	-23.67	356.76	10.48	-13.19
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012016769	0	46	0.0	-32.92	395.60	10.79	-22.13
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012016770	0	46	0.0	-27.08	398.12	10.63	-16.45
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012016773	0	36	0.0	-23.41	328.41	8.91	-14.50
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012016774	0	39	0.0	-23.55	351.64	12.98	-10.57
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016775	0	43	0.0	-30.65	372.18	10.03	-20.62
COCCCN1N=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016776	0	43	0.0	-25.40	352.89	7.99	-17.41
CC1=CC(F)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(Cl)=C1	REAL300012016777	0	36	0.0	-26.83	343.42	10.21	-16.62
COCCOCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016778	0	47	0.0	-26.98	404.61	9.48	-17.50
CSCC1=CN=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016779	0	36	0.0	-27.42	345.56	8.68	-18.74
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012016780	0	33	0.0	-24.82	321.12	9.03	-15.79
CCN1N=C(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=N1	REAL300012016781	0	38	0.0	-32.73	341.79	6.68	-26.05
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012016782	0	40	0.0	-28.04	349.61	11.12	-16.92
CC1=NN(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016783	0	36	0.0	-29.90	325.11	7.26	-22.64
N#CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1F	REAL300012016784	0	34	0.0	-33.28	322.21	9.99	-23.29
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012016785	0	36	0.0	-30.23	333.74	8.62	-21.61
CC1=CC(F)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(F)=C1	REAL300012016786	0	36	0.0	-24.69	327.41	10.29	-14.40
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])O1	REAL300012016787	0	43	0.0	-29.80	372.81	10.33	-19.47
CC(C)CN1N=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016788	0	42	0.0	-27.64	362.04	9.05	-18.59
COC(=O)C1=C(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CN1	REAL300012016789	0	40	0.0	-32.13	351.10	8.50	-23.63
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016790	0	43	0.0	-33.74	385.52	11.05	-22.69
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016791	0	46	0.0	-30.27	400.27	11.51	-18.76
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016792	0	43	0.0	-34.46	379.18	11.06	-23.40
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016793	0	42	0.0	-26.51	354.32	10.81	-15.70
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012016794	0	40	0.0	-32.50	347.16	8.43	-24.07
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012016795	0	39	0.0	-29.67	352.02	8.72	-20.95
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012016796	0	35	0.0	-34.96	325.16	7.89	-27.07
COC1=CC(OC)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1F	REAL300012016797	0	41	0.0	-31.33	365.08	7.80	-23.53
COC1=CC(F)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OC	REAL300012016798	0	41	0.0	-33.49	365.82	8.35	-25.14
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(Cl)=C1	REAL300012016799	0	36	0.0	-25.48	336.76	10.21	-15.27
CCC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016800	0	39	0.0	-23.96	337.03	10.96	-13.00
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016801	0	46	0.0	-30.45	400.44	11.50	-18.95
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(F)=C1	REAL300012016802	0	37	0.0	-26.56	335.55	8.34	-18.22
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012016803	0	40	0.0	-28.45	346.86	10.93	-17.52
COC1=CC=CC(F)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016804	0	37	0.0	-23.48	327.53	8.90	-14.58
CCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=C1	REAL300012016805	0	46	0.0	-28.66	390.22	10.74	-17.92
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012016806	0	35	0.0	-24.68	326.26	9.26	-15.42
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012016807	0	37	0.0	-33.69	326.96	7.63	-26.06
CCC1=C2OC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CC2=CC=C1	REAL300012016808	0	42	0.0	-32.13	371.19	10.98	-21.15
C=CCCN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N=N1	REAL300012016809	0	39	0.0	-37.53	353.03	7.68	-29.85
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012016810	0	40	0.0	-29.70	355.78	9.09	-20.61
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012016811	0	41	0.0	-28.18	368.48	10.10	-18.08
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=C1	REAL300012016812	0	43	0.0	-24.74	358.19	10.31	-14.43
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012016813	0	37	0.0	-29.30	346.98	8.80	-20.50
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012016814	0	37	0.0	-24.71	338.43	9.23	-15.48
COC1=NC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016815	0	36	0.0	-28.97	321.29	6.32	-22.65
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012016816	0	46	0.0	-23.91	378.36	12.72	-11.19
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=N1	REAL300012016817	0	43	0.0	-26.64	378.68	8.54	-18.10
COCC1=CSC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016818	0	37	0.0	-30.84	348.17	7.94	-22.90
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012016819	0	39	0.0	-37.65	344.74	7.57	-30.08
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012016820	0	33	0.0	-29.33	331.11	9.17	-20.16
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012016821	0	33	0.0	-34.46	324.57	8.46	-26.00
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012016822	0	33	0.0	-21.19	314.67	9.59	-11.60
CN(C)C1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=CC(F)=C1F	REAL300012016823	0	41	0.0	-28.40	362.22	9.16	-19.24
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012016824	0	33	0.0	-23.74	320.67	10.06	-13.68
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012016825	0	45	0.0	-33.08	386.66	8.71	-24.37
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1F	REAL300012016826	0	41	0.0	-30.66	365.82	8.60	-22.06
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016827	0	47	0.0	-30.52	397.12	11.30	-19.22
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012016828	0	33	0.0	-37.81	319.71	9.28	-28.53
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012016829	0	40	0.0	-30.22	368.72	9.32	-20.90
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OC1CC1	REAL300012016830	0	45	0.0	-27.53	383.85	10.39	-17.14
CCCN1N=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016831	0	39	0.0	-25.28	326.84	8.54	-16.74
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016832	0	36	0.0	-29.95	342.18	7.57	-22.38
COCC(C)OC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016833	0	47	0.0	-26.12	395.65	9.73	-16.39
CCCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016834	0	39	0.0	-22.55	350.48	11.03	-11.52
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012016835	0	40	0.0	-29.94	368.69	11.68	-18.26
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012016836	0	46	0.0	-24.57	379.96	11.30	-13.27
CC(C)C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016837	0	42	0.0	-23.94	354.28	11.44	-12.50
CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(Cl)=N1	REAL300012016838	0	33	0.0	-34.71	322.06	7.31	-27.40
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012016839	0	49	0.0	-25.64	396.13	11.55	-14.09
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012016840	0	46	0.0	-24.50	386.51	13.08	-11.42
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=NC=C1Br	REAL300012016841	0	35	0.0	-21.88	330.20	8.92	-12.96
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012016842	0	34	0.0	-25.62	321.66	7.24	-18.38
CN1C=C(C2=NC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CS2)C=N1	REAL300012016843	0	39	0.0	-25.98	364.97	8.14	-17.84
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1Cl	REAL300012016844	0	37	0.0	-26.33	339.67	9.37	-16.96
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012016845	0	43	0.0	-25.06	364.82	10.07	-14.99
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012016846	0	39	0.0	-25.17	354.78	9.46	-15.71
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012016847	0	39	0.0	-24.92	339.31	10.95	-13.97
CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(Br)=N1	REAL300012016848	0	33	0.0	-33.64	326.10	7.40	-26.24
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(F)=C1	REAL300012016849	0	36	0.0	-25.61	327.47	9.72	-15.89
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016850	0	40	0.0	-29.34	349.88	8.43	-20.91
CN1N=CC2=CC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CN=C21	REAL300012016851	0	38	0.0	-30.91	338.37	8.65	-22.26
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012016852	0	32	0.0	-27.99	322.16	7.82	-20.17
COC1=CC(Cl)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OC	REAL300012016853	0	41	0.0	-30.96	371.89	8.75	-22.21
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012016854	0	39	0.0	-27.13	356.37	11.35	-15.78
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016855	0	43	0.0	-29.84	366.78	9.08	-20.76
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C(C)N1	REAL300012016856	0	46	0.0	-30.20	393.85	9.89	-20.31
CC1=C(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CS1	REAL300012016857	0	36	0.0	-28.01	329.23	9.44	-18.57
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012016858	0	32	0.0	-32.92	318.00	7.71	-25.21
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(Br)SC=C1	REAL300012016859	0	30	0.0	-21.12	303.46	9.21	-11.91
CCOC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C(F)C=C1OC	REAL300012016860	0	44	0.0	-33.28	387.67	9.26	-24.02
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012016861	0	39	0.0	-25.71	338.52	11.65	-14.06
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CN=C1Br	REAL300012016862	0	32	0.0	-22.77	305.97	8.26	-14.51
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012016863	0	37	0.0	-30.75	345.22	9.43	-21.32
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016864	0	43	0.0	-24.72	368.47	10.50	-14.22
CCOC1=CC(F)=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016865	0	40	0.0	-25.21	351.83	9.82	-15.39
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012016866	0	47	0.0	-35.52	398.65	10.12	-25.40
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012016867	0	37	0.0	-28.36	345.30	8.62	-19.74
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016868	0	46	0.0	-26.97	374.46	10.66	-16.31
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016869	0	36	0.0	-24.42	319.24	10.45	-13.97
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C(F)C=C1C	REAL300012016870	0	40	0.0	-31.57	356.67	9.19	-22.38
CC1=CC=NC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1Br	REAL300012016871	0	35	0.0	-22.64	325.46	8.77	-13.87
COCCC1=NC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016873	0	39	0.0	-30.04	362.26	6.80	-23.24
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012016874	1	34	0.0	-28.32	322.62	6.38	-21.94
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016875	0	41	0.0	-24.65	359.02	9.20	-15.45
CCN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012016876	0	46	0.0	-26.82	392.07	11.42	-15.40
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012016877	0	41	0.0	-24.38	341.66	9.54	-14.84
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1C	REAL300012016878	0	49	0.0	-28.79	403.88	10.32	-18.47
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012016879	0	35	0.0	-29.22	321.90	10.06	-19.16
CC1=C(Br)C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016880	0	33	0.0	-23.44	326.72	10.02	-13.42
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012016881	0	38	0.0	-27.09	328.10	9.73	-17.36
CCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1C	REAL300012016882	0	46	0.0	-24.55	387.07	11.30	-13.25
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012016883	0	37	0.0	-30.65	330.19	7.93	-22.72
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016884	0	40	0.0	-25.57	349.39	9.82	-15.75
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012016885	0	38	0.0	-32.68	329.30	10.57	-22.11
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016886	0	41	0.0	-34.49	357.88	10.62	-23.87
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(F)=C1OC	REAL300012016887	0	41	0.0	-28.82	368.45	8.35	-20.47
COC(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(F)=C1	REAL300012016888	0	39	0.0	-29.33	360.83	9.70	-19.63
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012016889	0	43	0.0	-30.34	380.78	9.89	-20.45
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012016890	0	40	0.0	-29.69	363.42	9.63	-20.06
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012016891	0	32	0.0	-32.31	312.22	7.69	-24.62
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016892	0	40	0.0	-25.64	344.10	10.85	-14.79
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012016894	0	36	0.0	-25.88	325.00	8.33	-17.55
CCCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016896	0	42	0.0	-24.41	359.77	11.79	-12.62
CC1=C2C=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])C=NC2=NN1	REAL300012016897	0	38	0.0	-32.08	338.52	8.08	-24.00
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NC=CS1	REAL300012016898	0	29	0.0	-26.69	286.04	6.20	-20.49
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016899	0	41	0.0	-32.28	371.44	6.14	-26.14
CN1N=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012016900	0	39	0.0	-23.47	344.08	9.43	-14.04
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012016901	0	36	0.0	-27.30	322.35	8.18	-19.12
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012016901	1	36	0.0	-27.08	328.35	7.69	-19.39
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016902	0	33	0.0	-33.11	336.11	8.39	-24.72
CCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016903	0	36	0.0	-21.99	327.66	10.21	-11.78
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012016904	0	38	0.0	-31.41	340.38	9.38	-22.03
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012016905	0	39	0.0	-32.58	350.03	10.09	-22.49
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016906	0	53	0.0	-24.73	414.55	11.56	-13.17
CCC1=NC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016907	0	35	0.0	-25.13	323.57	8.27	-16.86
COC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])SC=C1	REAL300012016908	0	34	0.0	-27.13	320.52	7.43	-19.70
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012016909	0	39	0.0	-27.60	351.64	7.80	-19.80
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC=C1Cl	REAL300012016910	0	30	0.0	-25.15	305.98	8.47	-16.68
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016911	0	38	0.0	-30.30	348.41	8.70	-21.60
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016912	0	44	0.0	-28.14	394.99	9.45	-18.69
CCCC(C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012016913	0	45	0.0	-27.43	378.55	11.69	-15.74
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012016914	0	38	0.0	-27.39	353.21	9.92	-17.47
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1CC2CCC1C2	REAL300012016915	0	40	0.0	-30.27	327.19	9.73	-20.54
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)N=C1	REAL300012016916	0	32	0.0	-35.38	303.91	7.26	-28.12
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012016917	0	33	0.0	-31.85	331.26	9.33	-22.52
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1(C(F)F)CC1	REAL300012016918	0	33	0.0	-22.54	290.94	8.76	-13.78
CC(C)C1CCC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])CC1	REAL300012016920	0	48	0.0	-23.46	363.64	11.30	-12.16
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016921	0	47	0.0	-26.86	393.90	11.16	-15.70
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016922	0	43	0.0	-27.29	363.12	10.17	-17.12
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012016923	0	42	0.0	-33.25	376.48	10.83	-22.42
CCC1=NOC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016924	0	35	0.0	-28.58	313.44	7.81	-20.77
CN1N=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1Cl	REAL300012016925	0	33	0.0	-28.48	321.28	7.24	-21.24
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012016926	0	35	0.0	-26.44	318.11	7.05	-19.39
COC1=CC=C(N2C=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])C=N2)C=C1	REAL300012016927	0	44	0.0	-30.66	382.39	10.03	-20.63
CC1=CN=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016928	0	35	0.0	-24.33	300.65	8.25	-16.08
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012016929	0	35	0.0	-24.85	334.87	7.54	-17.31
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012016930	0	40	0.0	-30.96	350.42	11.18	-19.78
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NC=C1Br	REAL300012016931	0	32	0.0	-21.39	304.95	8.32	-13.07
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012016932	0	36	0.0	-38.77	355.66	5.79	-32.98
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012016933	0	39	0.0	-29.51	349.61	9.79	-19.72
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(F)=C1	REAL300012016934	0	38	0.0	-29.60	354.21	4.56	-25.04
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016937	0	35	0.0	-24.40	323.02	8.82	-15.58
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016938	0	36	0.0	-21.12	333.09	8.15	-12.97
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016939	0	40	0.0	-29.87	353.29	8.75	-21.12
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016940	0	43	0.0	-29.65	369.74	9.25	-20.40
CC1=NC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N1C	REAL300012016941	0	36	0.0	-28.72	320.93	7.98	-20.74
CC1=C2C=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])NC2=CC=C1	REAL300012016942	0	40	0.0	-30.97	355.49	9.69	-21.28
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012016943	0	39	0.0	-30.19	348.12	8.02	-22.17
CC1=CC=C2C=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])NC2=C1	REAL300012016944	0	40	0.0	-26.35	348.71	10.17	-16.18
CC1=NC=CN=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016945	0	34	0.0	-28.48	302.43	6.37	-22.11
CCOC1=CN=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016946	0	39	0.0	-31.12	348.94	7.51	-23.61
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012016947	0	32	0.0	-21.61	301.35	8.22	-13.39
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012016948	0	44	0.0	-26.54	369.40	8.13	-18.41
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012016949	0	36	0.0	-33.98	328.67	7.80	-26.18
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016950	0	41	0.0	-26.51	330.96	9.80	-16.71
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NC(F)=C1	REAL300012016951	0	32	0.0	-29.97	295.45	7.69	-22.28
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012016952	0	37	0.0	-26.78	325.43	9.55	-17.23
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012016953	0	36	0.0	-34.64	326.68	7.01	-27.63
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012016954	0	35	0.0	-33.23	332.07	8.19	-25.04
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016955	0	42	0.0	-26.54	367.29	10.00	-16.54
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012016956	0	43	0.0	-40.92	374.95	6.47	-34.45
COC1=CN=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1C	REAL300012016957	0	39	0.0	-24.56	330.52	7.54	-17.02
CC1=CC(C)=C(C=CC[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=C1	REAL300012016958	0	46	0.0	-25.20	384.12	12.66	-12.54
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012016959	0	43	0.0	-25.95	369.07	7.11	-18.84
CCCN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N=N1	REAL300012016960	0	38	0.0	-37.87	340.21	7.13	-30.74
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016961	0	41	0.0	-22.64	351.76	9.61	-13.03
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012016962	0	37	0.0	-23.40	326.75	10.21	-13.19
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012016963	0	38	0.0	-34.26	342.80	10.00	-24.26
CC1=CC(C)=C(C=CC[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1C	REAL300012016964	0	46	0.0	-30.53	387.32	12.04	-18.49
CC1=NSC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016965	0	32	0.0	-24.37	301.94	7.97	-16.40
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016966	0	38	0.0	-32.30	348.24	4.48	-27.82
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012016970	0	42	0.0	-21.37	348.34	10.07	-11.30
CC1=NN(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1Cl	REAL300012016971	0	36	0.0	-30.16	339.58	7.67	-22.49
CN1C=CC(C2=NC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CS2)=N1	REAL300012016972	0	39	0.0	-40.87	372.20	7.57	-33.30
CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012016973	0	46	0.0	-27.01	380.41	10.37	-16.64
CC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1Br	REAL300012016974	0	36	0.0	-25.23	337.14	10.23	-15.00
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012016975	0	41	0.0	-29.51	354.11	9.65	-19.86
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016976	0	43	0.0	-35.55	366.63	9.34	-26.21
CCC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(Cl)=NN1	REAL300012016977	0	36	0.0	-32.90	340.67	7.22	-25.68
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012016978	0	37	0.0	-27.11	340.43	8.47	-18.64
CCC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=NO1	REAL300012016979	0	38	0.0	-27.36	335.19	8.59	-18.77
CCN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N=N1	REAL300012016980	0	35	0.0	-38.75	319.48	6.40	-32.35
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012016981	0	45	0.0	-24.67	367.52	10.75	-13.92
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012016982	0	48	0.0	-23.35	387.30	11.53	-11.82
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])O1	REAL300012016983	0	37	0.0	-31.80	338.20	8.61	-23.19
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012016984	0	32	0.0	-36.77	328.23	7.20	-29.57
CCN1C=NC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016985	0	36	0.0	-34.44	325.14	9.23	-25.21
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CN=C1F	REAL300012016986	0	35	0.0	-32.36	324.20	7.88	-24.48
CC1=CC(F)=NC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016987	0	35	0.0	-33.11	319.20	7.89	-25.22
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012016988	0	36	0.0	-27.16	333.34	10.47	-16.69
COC(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1C	REAL300012016989	0	42	0.0	-28.56	364.98	10.72	-17.84
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=C1	REAL300012016990	0	40	0.0	-29.11	346.87	9.01	-20.10
CC1=C(Cl)C=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1Cl	REAL300012016991	0	36	0.0	-25.71	348.06	10.56	-15.15
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012016992	0	34	0.0	-26.02	331.67	10.52	-15.50
CC1CC2=CC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CC=C2O1	REAL300012016993	0	41	0.0	-30.65	357.38	9.60	-21.05
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012016994	0	36	0.0	-38.26	325.82	7.02	-31.24
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012016995	0	38	0.0	-28.33	331.13	9.39	-18.94
CSCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012016996	0	40	0.0	-25.43	360.19	11.41	-14.02
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012016997	0	43	0.0	-29.34	367.64	10.31	-19.03
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016998	0	41	0.0	-31.30	357.89	6.70	-24.60
CN1N=C2CCCC2=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012016999	0	40	0.0	-24.91	339.96	8.97	-15.94
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012017000	0	40	0.0	-25.21	342.91	9.29	-15.92
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012017001	0	40	0.0	-25.27	343.62	9.35	-15.92
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017002	0	46	0.0	-32.06	404.80	10.66	-21.40
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017003	0	43	0.0	-31.51	387.07	10.05	-21.46
COC1=CC=C(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017004	0	40	0.0	-23.11	336.35	9.38	-13.73
CN1C=NC2=CC=CC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=C21	REAL300012017005	0	39	0.0	-27.77	330.33	10.62	-17.15
CCC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017006	0	39	0.0	-21.98	324.01	10.68	-11.30
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012017007	0	43	0.0	-33.37	365.11	9.37	-24.00
CC1=CC(F)=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017008	0	36	0.0	-32.09	330.47	9.84	-22.25
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=C1C	REAL300012017009	0	42	0.0	-27.33	350.06	10.74	-16.59
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012017010	0	43	0.0	-33.59	373.35	8.69	-24.90
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017011	0	45	0.0	-26.18	347.99	11.10	-15.08
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012017012	0	43	0.0	-28.15	351.45	9.96	-18.19
COC1=CC=C2SC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CC2=C1	REAL300012017013	0	40	0.0	-31.82	369.51	9.92	-21.90
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012017014	0	36	0.0	-28.36	323.60	9.18	-19.18
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012017015	0	49	0.0	-32.95	405.07	11.26	-21.69
CCN1CCC2=CC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CC=C21	REAL300012017016	0	45	0.0	-29.49	379.80	9.65	-19.84
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012017017	0	46	0.0	-33.42	386.93	10.38	-23.04
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=NN1C(C)C	REAL300012017018	0	42	0.0	-24.34	358.32	9.35	-14.99
CSC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1Cl	REAL300012017019	0	37	0.0	-28.92	350.68	11.03	-17.89
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012017020	0	43	0.0	-24.47	362.49	12.18	-12.29
CCOC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=N1	REAL300012017021	0	39	0.0	-24.80	343.08	7.16	-17.64
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1C1CC1	REAL300012017022	0	43	0.0	-28.49	366.83	11.65	-16.84
CC1=NN(C2=CC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])C(C)=C2)C=C1	REAL300012017023	0	46	0.0	-30.30	389.19	11.85	-18.45
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])O2)N1	REAL300012017024	0	40	0.0	-37.68	371.15	7.89	-29.79
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])O1	REAL300012017025	0	34	0.0	-31.59	315.02	7.63	-23.96
COCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])O1	REAL300012017026	0	41	0.0	-33.60	371.82	7.85	-25.75
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017027	0	45	0.0	-28.07	384.78	9.37	-18.70
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012017028	0	36	0.0	-32.90	331.49	7.73	-25.17
CCN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=N1	REAL300012017029	0	39	0.0	-30.08	346.55	8.35	-21.73
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=C1	REAL300012017030	0	49	0.0	-25.60	411.60	13.50	-12.10
CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012017031	0	40	0.0	-28.42	350.06	9.54	-18.88
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017032	0	45	0.0	-30.37	387.55	8.87	-21.50
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017033	0	40	0.0	-26.36	346.39	9.18	-17.18
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017034	0	43	0.0	-32.93	371.12	12.01	-20.92
CC(C)C1=NOC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017035	0	38	0.0	-30.50	340.78	8.38	-22.12
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012017036	0	37	0.0	-27.17	349.74	7.70	-19.47
COC1=NC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1F	REAL300012017038	0	36	0.0	-27.67	333.08	5.78	-21.89
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012017039	0	33	0.0	-36.94	320.03	9.06	-27.88
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012017040	0	45	0.0	-22.27	378.01	11.09	-11.18
CC1=C(C)SC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=N1	REAL300012017041	0	35	0.0	-27.20	320.85	8.00	-19.20
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012017042	0	42	0.0	-39.74	378.65	9.36	-30.38
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017043	0	35	0.0	-31.72	335.12	8.44	-23.28
CC1OC2=CC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])C=C2C1C	REAL300012017044	0	44	0.0	-31.28	376.06	10.21	-21.07
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OC(F)F	REAL300012017045	0	40	0.0	-24.95	354.79	9.88	-15.07
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSN=C1	REAL300012017046	0	29	0.0	-25.92	279.89	7.21	-18.71
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017047	0	45	0.0	-26.65	369.98	11.42	-15.23
CN1N=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012017048	0	39	0.0	-38.50	350.79	4.29	-34.21
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012017049	0	36	0.0	-26.91	333.12	7.43	-19.48
CC(C)CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N=N1	REAL300012017050	0	41	0.0	-37.82	360.00	7.88	-29.94
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012017052	0	33	0.0	-31.85	321.47	6.36	-25.49
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012017053	0	38	0.0	-28.04	329.92	9.36	-18.68
CN1C=C(Cl)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=N1	REAL300012017054	1	33	0.0	-24.39	313.51	7.73	-16.66
CS(=O)(=O)C1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=CS1	REAL300012017055	0	36	0.0	-36.75	335.17	6.23	-30.52
CSC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017056	0	37	0.0	-27.63	335.67	10.58	-17.05
CC(C)C1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])N(C)N=C1	REAL300012017057	0	42	0.0	-23.83	357.53	9.05	-14.78
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC(C)=N1	REAL300012017058	0	38	0.0	-30.95	339.43	8.51	-22.44
CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012017059	0	43	0.0	-35.65	387.57	10.31	-25.34
CCCN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=N1	REAL300012017060	0	42	0.0	-29.84	368.05	9.11	-20.73
CCN1C=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=N1	REAL300012017061	0	36	0.0	-33.36	327.05	7.67	-25.69
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012017062	0	35	0.0	-27.85	318.09	8.28	-19.57
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012017064	0	40	0.0	-29.91	367.84	11.35	-18.56
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012017065	0	41	0.0	-31.82	363.19	10.07	-21.75
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012017066	0	37	0.0	-26.60	352.04	8.83	-17.77
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=C1	REAL300012017067	0	46	0.0	-33.14	394.97	12.09	-21.05
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])C=C2)C=N1	REAL300012017068	0	46	0.0	-30.71	393.19	13.18	-17.53
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017069	0	40	0.0	-36.65	351.86	7.84	-28.81
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012017070	0	47	0.0	-29.40	397.54	13.13	-16.27
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017072	0	43	0.0	-36.19	373.35	8.68	-27.51
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012017073	0	39	0.0	-32.24	356.39	10.29	-21.95
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012017074	0	40	0.0	-26.68	342.57	8.47	-18.21
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017075	0	43	0.0	-31.20	382.63	10.23	-20.97
CCCN1C=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=N1	REAL300012017076	0	39	0.0	-32.30	346.40	8.36	-23.94
CC(C)N1C=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=N1	REAL300012017077	0	39	0.0	-31.79	343.59	8.12	-23.67
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017078	0	44	0.0	-29.61	374.05	9.60	-20.01
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012017079	0	36	0.0	-38.51	344.93	8.17	-30.34
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012017080	0	43	0.0	-26.78	375.37	11.14	-15.64
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017082	0	36	0.0	-27.76	345.20	6.29	-21.47
CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012017083	0	36	0.0	-28.52	339.33	7.88	-20.64
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012017084	0	36	0.0	-29.28	339.92	9.99	-19.29
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012017085	0	41	0.0	-28.51	347.15	9.02	-19.49
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017086	0	40	0.0	-25.06	362.18	10.36	-14.70
COC1=NN(C)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017087	0	37	0.0	-28.25	336.21	4.76	-23.49
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012017089	0	40	0.0	-34.52	360.31	8.84	-25.68
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012017090	0	40	0.0	-23.27	339.67	10.39	-12.88
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012017091	0	35	0.0	-31.70	330.01	10.31	-21.39
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012017092	0	46	0.0	-24.21	378.72	10.57	-13.64
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012017093	0	40	0.0	-29.23	376.52	10.58	-18.65
CN(CCO)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=N1	REAL300012017095	0	44	0.0	-31.70	380.07	6.59	-25.11
COC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012017096	0	49	0.0	-24.74	393.95	10.76	-13.98
CN1C=C(Br)N=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017097	0	33	0.0	-36.61	324.87	7.97	-28.64
COC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=N1	REAL300012017098	0	39	0.0	-30.25	342.81	6.34	-23.91
COC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1O	REAL300012017099	0	41	0.0	-33.27	357.65	6.83	-26.44
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012017100	0	39	0.0	-42.03	357.16	8.13	-33.90
CN1C(=O)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012017101	0	42	0.0	-24.31	362.80	10.36	-13.95
COC1=NC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1C	REAL300012017102	0	39	0.0	-32.56	347.71	6.41	-26.15
CCCN1C=NC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017103	0	39	0.0	-27.00	324.48	10.09	-16.91
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CNC1=O	REAL300012017104	0	33	0.0	-42.01	304.03	5.94	-36.07
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012017105	0	40	0.0	-30.29	351.24	9.47	-20.82
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012017106	0	46	0.0	-23.81	385.13	13.04	-10.77
CCC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=NN1CC	REAL300012017107	0	42	0.0	-30.41	358.29	8.88	-21.53
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012017108	0	33	0.0	-24.17	322.26	10.12	-14.05
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012017109	0	37	0.0	-26.80	326.98	8.02	-18.78
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012017110	0	37	0.0	-33.08	346.35	8.66	-24.42
COC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=CS1	REAL300012017111	0	34	0.0	-25.89	317.00	7.98	-17.91
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012017112	0	36	0.0	-33.56	341.91	8.89	-24.67
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017113	0	39	0.0	-27.15	347.27	11.05	-16.10
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012017114	0	39	0.0	-31.37	365.58	9.88	-21.49
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=N1	REAL300012017115	0	40	0.0	-30.67	360.57	6.73	-23.94
CCCN1N=C(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1Cl	REAL300012017116	0	42	0.0	-24.90	376.84	9.83	-15.07
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])S1	REAL300012017117	0	39	0.0	-25.09	362.06	8.89	-16.20
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012017118	0	33	0.0	-22.54	312.63	9.74	-12.80
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012017119	0	40	0.0	-26.03	360.95	11.99	-14.04
CC(C)(C)C1=NNC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017120	0	42	0.0	-30.08	362.39	7.85	-22.23
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012017121	0	39	0.0	-25.39	347.67	12.04	-13.35
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012017122	0	50	0.0	-25.95	409.96	11.85	-14.10
C=CCC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017123	0	40	0.0	-27.93	349.70	10.97	-16.96
CCN1CCCC2=CC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=CC=C21	REAL300012017124	0	48	0.0	-28.45	389.63	10.16	-18.29
COCC1=CN=C(OC)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017125	0	43	0.0	-30.38	381.13	5.60	-24.78
CN1N=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1Br	REAL300012017126	0	33	0.0	-27.20	323.25	7.23	-19.97
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012017127	0	37	0.0	-25.72	325.18	10.82	-14.90
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012017128	0	36	0.0	-29.92	321.96	7.58	-22.34
COCC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017129	0	40	0.0	-28.07	349.04	8.94	-19.13
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012017130	0	37	0.0	-26.98	351.86	11.02	-15.96
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012017131	0	46	0.0	-28.13	388.59	10.24	-17.89
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012017132	0	41	0.0	-29.90	354.21	9.11	-20.79
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012017133	0	37	0.0	-29.30	329.83	4.84	-24.46
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012017134	0	39	0.0	-31.99	363.19	11.23	-20.76
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012017135	0	39	0.0	-34.15	357.18	7.27	-26.88
COC1=CC=C(F)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1OC	REAL300012017136	0	41	0.0	-24.36	359.49	8.82	-15.54
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012017137	0	36	0.0	-28.15	320.12	9.07	-19.08
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=N1	REAL300012017138	0	40	0.0	-34.33	363.22	7.03	-27.30
C=CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012017139	0	37	0.0	-24.96	326.51	10.66	-14.30
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012017140	0	47	0.0	-27.36	395.05	11.92	-15.44
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017141	0	39	0.0	-34.90	343.05	10.63	-24.27
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC=C1OCCO	REAL300012017142	0	45	0.0	-31.20	386.11	6.56	-24.64
CCN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012017143	0	43	0.0	-28.74	376.80	9.87	-18.87
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1OCCO	REAL300012017144	0	45	0.0	-30.76	387.44	6.60	-24.16
CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012017145	0	43	0.0	-28.74	384.84	7.98	-20.76
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017146	0	41	0.0	-25.29	334.99	9.14	-16.15
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012017147	0	38	0.0	-33.21	343.65	9.57	-23.64
CC1=CC2=CC=CC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=C2O1	REAL300012017148	0	39	0.0	-29.63	344.62	10.71	-18.92
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012017149	0	36	0.0	-22.65	321.20	10.33	-12.32
COC1=CSC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1OC	REAL300012017150	0	38	0.0	-26.51	353.26	7.06	-19.45
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012017151	0	39	0.0	-30.49	347.35	9.18	-21.31
CS(=O)(=O)C1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])SC=C1	REAL300012017152	0	36	0.0	-28.88	342.44	5.67	-23.21
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017153	0	36	0.0	-37.09	344.23	4.61	-32.48
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012017154	0	36	0.0	-27.19	344.79	10.05	-17.14
CC(C)OC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1F	REAL300012017155	0	43	0.0	-29.82	369.66	10.44	-19.38
CCN1C=C(Cl)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=N1	REAL300012017156	1	36	0.0	-25.77	335.04	8.58	-17.19
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012017157	0	33	0.0	-35.06	327.00	9.62	-25.44
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012017158	0	36	0.0	-29.43	328.23	10.46	-18.97
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012017159	0	39	0.0	-26.36	351.01	11.28	-15.08
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017160	0	36	0.0	-34.68	352.73	5.63	-29.05
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012017161	0	30	0.0	-25.68	301.09	9.08	-16.60
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012017162	0	43	0.0	-32.99	370.36	9.59	-23.40
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012017163	0	40	0.0	-27.26	371.02	11.30	-15.96
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017164	0	46	0.0	-28.53	390.16	10.18	-18.35
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012017165	0	36	0.0	-26.12	320.31	8.12	-18.00
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017166	0	43	0.0	-25.06	373.55	10.21	-14.85
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012017167	0	36	0.0	-22.06	328.46	10.67	-11.39
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012017168	0	32	0.0	-24.48	309.99	8.17	-16.31
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012017169	0	40	0.0	-27.84	360.70	10.85	-16.99
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017170	0	40	0.0	-21.29	347.89	7.61	-13.68
COC1=NC(C)=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=C1Cl	REAL300012017171	0	42	0.0	-28.58	376.84	7.32	-21.26
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017172	0	42	0.0	-30.58	370.37	9.88	-20.70
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012017173	0	40	0.0	-31.91	346.51	8.59	-23.32
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012017174	0	36	0.0	-37.38	338.90	7.99	-29.39
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012017175	0	37	0.0	-27.09	341.38	9.00	-18.09
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017176	0	49	0.0	-29.05	406.87	10.73	-18.32
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012017177	0	44	0.0	-26.35	370.80	8.21	-18.14
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017178	0	47	0.0	-29.65	395.46	8.26	-21.39
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012017180	0	43	0.0	-31.19	366.26	9.37	-21.82
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017181	0	35	0.0	-34.37	346.31	3.03	-31.34
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012017182	0	32	0.0	-27.15	326.35	8.11	-19.04
CC1=NSC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017183	0	32	0.0	-25.87	296.65	7.71	-18.16
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017184	0	46	0.0	-28.28	385.74	10.06	-18.22
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012017185	0	36	0.0	-31.87	323.36	9.95	-21.92
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012017186	0	36	0.0	-33.66	327.51	7.76	-25.90
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012017187	0	33	0.0	-35.50	327.44	9.63	-25.87
CC1=C(F)C=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017188	0	36	0.0	-26.14	312.17	10.11	-16.03
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])=C2)C=N1	REAL300012017189	0	43	0.0	-30.93	375.51	10.85	-20.08
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012017190	0	43	0.0	-34.11	381.95	11.97	-22.14
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017191	0	36	0.0	-21.58	326.50	10.63	-10.95
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017192	0	38	0.0	-32.37	345.16	9.39	-22.98
COC1=NC2=CC=C(C[NH2+]C(CC3=C(Cl)SC=C3)C(=O)[O-])C=C2S1	REAL300012017193	0	39	0.0	-28.09	358.48	7.34	-20.75
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012017194	0	32	0.0	-28.67	310.49	8.24	-20.43
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012017195	0	33	0.0	-20.68	327.52	10.52	-10.16
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017196	0	35	0.0	-26.48	317.29	8.63	-17.85
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017197	0	49	0.0	-26.26	405.86	11.86	-14.40
COC1=CC(Cl)=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017198	0	37	0.0	-29.63	346.73	8.84	-20.79
COC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CC(F)=C1F	REAL300012017199	0	37	0.0	-36.39	344.67	8.53	-27.86
COC1=CC(C)=NC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017200	0	39	0.0	-26.66	340.58	7.76	-18.90
CC(C)N1C=NC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017201	0	39	0.0	-34.25	346.05	9.66	-24.59
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017202	0	40	0.0	-32.45	357.02	7.13	-25.32
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012017203	0	39	0.0	-23.48	343.25	9.92	-13.56
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1C	REAL300012017204	0	43	0.0	-32.04	386.33	8.78	-23.26
CC(C)OC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])O1	REAL300012017205	0	40	0.0	-23.49	351.37	9.79	-13.70
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012017206	0	36	0.0	-28.64	342.66	8.17	-20.47
N#CC1=CC(F)=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017207	0	34	0.0	-29.91	322.66	10.02	-19.89
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012017208	0	49	0.0	-29.07	404.50	12.91	-16.16
COC1=CC=CC=C1C=CC[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017209	0	41	0.0	-28.11	353.48	10.18	-17.93
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])SC(Br)=C1	REAL300012017210	0	33	0.0	-20.80	322.17	9.88	-10.92
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017211	0	43	0.0	-28.61	368.31	9.40	-19.21
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012017212	0	39	0.0	-31.95	354.54	8.43	-23.52
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012017213	0	41	0.0	-33.01	369.68	9.37	-23.64
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017214	0	42	0.0	-29.00	382.80	9.29	-19.71
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017215	0	40	0.0	-31.18	365.95	8.36	-22.82
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012017216	0	46	0.0	-25.51	396.93	13.98	-11.53
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012017217	0	49	0.0	-33.20	415.05	10.82	-22.38
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=N1	REAL300012017218	0	39	0.0	-30.39	345.32	6.33	-24.06
CCN(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C)=C1	REAL300012017219	0	47	0.0	-27.51	388.52	10.98	-16.53
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012017220	0	30	0.0	-26.55	324.11	9.13	-17.42
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017221	0	54	0.0	-24.82	421.31	11.53	-13.29
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=NS1	REAL300012017222	0	32	0.0	-31.50	305.30	7.51	-23.99
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017223	0	44	0.0	-25.06	373.10	8.95	-16.11
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=NO1	REAL300012017224	0	32	0.0	-24.63	290.67	7.81	-16.82
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012017225	0	36	0.0	-25.82	322.05	10.34	-15.48
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012017226	0	36	0.0	-26.19	332.31	10.93	-15.26
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012017227	0	42	0.0	-28.48	364.80	11.23	-17.25
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC=C1CO	REAL300012017228	0	37	0.0	-28.71	324.60	6.46	-22.25
CC1=NSC(C)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017229	0	35	0.0	-29.88	325.12	7.94	-21.94
CC(C)(C)C1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=NO1	REAL300012017230	0	41	0.0	-21.44	331.65	9.29	-12.15
CC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1C(F)(F)F	REAL300012017231	0	39	0.0	-21.53	331.72	10.80	-10.73
C=CCN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=N1	REAL300012017232	0	37	0.0	-25.35	331.22	8.74	-16.61
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012017233	0	36	0.0	-32.15	320.39	8.22	-23.93
CCC(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012017234	0	45	0.0	-23.67	372.74	12.11	-11.56
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012017235	0	40	0.0	-33.48	362.57	7.73	-25.75
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=N1	REAL300012017237	0	38	0.0	-34.38	351.69	9.04	-25.34
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012017238	0	43	0.0	-27.13	355.83	11.39	-15.74
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017239	0	40	0.0	-26.24	355.33	11.45	-14.79
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012017240	0	36	0.0	-28.49	346.14	10.12	-18.37
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012017241	0	39	0.0	-37.09	355.02	9.02	-28.07
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012017242	0	42	0.0	-23.50	348.51	12.12	-11.38
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017243	0	51	0.0	-27.84	425.69	10.67	-17.17
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017244	0	41	0.0	-23.69	355.52	9.00	-14.69
CC1=NC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C(C)S1	REAL300012017245	0	35	0.0	-25.66	328.05	7.51	-18.15
O=C([O-])C(CC1=C(Cl)SC=C1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012017246	0	46	0.0	-31.09	388.09	6.03	-25.06
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017247	0	45	0.0	-25.96	382.32	8.15	-17.81
CCCN1N=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1C	REAL300012017248	0	42	0.0	-23.77	358.40	9.37	-14.40
CC1=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012017249	0	41	0.0	-32.75	358.31	10.18	-22.57
CC1=CC(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012017250	0	42	0.0	-33.72	372.54	10.36	-23.36
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012017251	0	40	0.0	-32.02	364.57	9.23	-22.79
CCCN1N=C(C)C=C1C[NH2+]C(CC1=C(Cl)SC=C1)C(=O)[O-]	REAL300012017252	0	42	0.0	-28.08	363.80	8.98	-19.10
CN1C=C(C[NH2+]C(CC2=C(Cl)SC=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012017253	0	43	0.0	-29.09	371.68	9.45	-19.64
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012017255	0	39	0.0	-21.93	343.71	11.30	-10.63
CC1=CC=C(C)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017256	0	39	0.0	-22.43	345.40	11.36	-11.07
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012017257	0	38	0.0	-28.92	352.29	10.51	-18.41
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1CC2C=CC1C2	REAL300012017258	0	38	0.0	-27.81	335.53	10.21	-17.60
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1CCCCC1	REAL300012017259	0	39	0.0	-28.07	338.54	9.97	-18.10
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017260	0	45	0.0	-26.27	393.73	11.97	-14.30
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012017261	0	40	0.0	-29.46	374.74	9.53	-19.93
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012017262	0	30	0.0	-30.77	322.13	8.58	-22.19
CC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1C	REAL300012017263	0	39	0.0	-21.99	339.99	11.19	-10.80
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012017264	0	39	0.0	-27.41	358.09	10.92	-16.49
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017265	0	43	0.0	-23.54	385.45	10.56	-12.98
CCC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012017266	0	42	0.0	-25.13	384.79	11.68	-13.45
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(Cl)=C1	REAL300012017267	0	37	0.0	-23.65	359.70	9.37	-14.28
N#CC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017268	0	34	0.0	-31.77	333.35	10.57	-21.20
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012017269	0	36	0.0	-24.08	346.53	11.47	-12.61
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012017270	0	39	0.0	-29.61	365.72	10.21	-19.40
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012017271	0	39	0.0	-27.14	368.57	7.73	-19.41
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012017272	0	30	0.0	-29.38	326.94	9.44	-19.94
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012017273	0	38	0.0	-27.78	350.94	10.68	-17.10
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012017274	0	40	0.0	-33.65	375.88	10.85	-22.80
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012017275	0	39	0.0	-32.76	370.81	12.17	-20.59
CCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])O1	REAL300012017276	0	36	0.0	-22.25	335.31	9.87	-12.38
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012017277	0	33	0.0	-25.66	323.14	10.23	-15.43
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012017278	0	33	0.0	-24.50	338.79	10.23	-14.27
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012017279	0	33	0.0	-29.56	342.27	10.28	-19.28
CCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017280	0	40	0.0	-26.42	362.52	10.37	-16.05
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012017281	0	36	0.0	-30.25	345.08	10.39	-19.86
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012017282	0	33	0.0	-22.94	338.37	11.03	-11.91
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012017283	0	33	0.0	-32.53	337.36	9.86	-22.67
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012017284	0	36	0.0	-22.58	348.55	11.67	-10.91
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012017285	0	33	0.0	-29.61	342.27	10.29	-19.32
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012017286	0	32	0.0	-21.63	318.11	8.76	-12.87
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017287	0	42	0.0	-28.06	384.89	9.35	-18.71
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300012017288	0	37	0.0	-28.57	363.89	9.53	-19.04
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012017289	0	39	0.0	-26.49	354.03	9.36	-17.13
CCCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017290	0	43	0.0	-26.24	384.02	11.17	-15.07
CC(C)OC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017291	0	43	0.0	-26.42	380.45	10.99	-15.43
CC(C)C1=NC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CS1	REAL300012017292	0	38	0.0	-21.45	360.26	9.21	-12.24
CC(C)(C)C1=NC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CS1	REAL300012017293	0	41	0.0	-30.02	386.38	9.26	-20.76
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])OC=C1	REAL300012017294	0	33	0.0	-21.94	311.41	8.87	-13.07
CC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CN=C1Cl	REAL300012017295	0	35	0.0	-28.05	341.67	9.37	-18.68
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012017296	0	38	0.0	-27.49	356.54	10.72	-16.77
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012017297	0	38	0.0	-25.80	364.52	10.28	-15.52
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012017298	0	37	0.0	-26.43	358.94	11.95	-14.48
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012017299	0	39	0.0	-29.03	366.63	10.81	-18.22
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012017300	0	36	0.0	-27.69	347.60	10.09	-17.60
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])N=C1	REAL300012017301	0	35	0.0	-22.03	328.90	9.00	-13.03
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012017302	0	37	0.0	-31.91	362.64	11.11	-20.80
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012017303	0	40	0.0	-32.44	377.25	10.80	-21.64
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012017304	0	30	0.0	-20.05	315.33	9.68	-10.37
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012017305	0	37	0.0	-32.55	358.07	9.74	-22.81
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012017306	0	37	0.0	-29.68	355.82	9.65	-20.03
CCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017307	0	39	0.0	-21.79	360.19	7.73	-14.06
CC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012017308	0	41	0.0	-27.04	373.74	11.37	-15.67
CC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC=C1Cl	REAL300012017309	0	36	0.0	-24.51	346.64	11.24	-13.27
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012017310	0	35	0.0	-26.91	343.04	9.62	-17.29
CCCC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017311	0	42	0.0	-26.44	382.74	11.89	-14.55
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1C#N	REAL300012017312	0	38	0.0	-33.40	368.07	9.39	-24.01
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017313	0	39	0.0	-24.62	365.35	11.13	-13.49
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])N=C1	REAL300012017314	0	39	0.0	-22.67	358.90	8.55	-14.12
C=CCOC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017315	0	41	0.0	-26.55	375.43	10.95	-15.60
CC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012017316	0	42	0.0	-21.80	360.73	11.83	-9.97
CC(C)(C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012017317	0	42	0.0	-23.80	356.69	11.73	-12.07
CC1CCC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])CC1	REAL300012017318	0	42	0.0	-23.04	344.28	10.80	-12.24
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017319	0	45	0.0	-25.46	388.48	12.96	-12.50
CCC1CCCC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C1	REAL300012017320	0	45	0.0	-23.06	369.55	11.67	-11.39
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017321	0	39	0.0	-22.07	365.08	11.21	-10.86
CC1=C(C)C=C2OC(C[NH2+]C(CC3=C(Cl)SC(Cl)=C3)C(=O)[O-])=CC2=C1	REAL300012017322	0	42	0.0	-23.70	378.67	11.91	-11.79
CCCC1CCC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])CC1	REAL300012017323	0	48	0.0	-28.11	399.10	11.98	-16.13
CC1CCCCC1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017324	0	42	0.0	-28.33	349.71	10.25	-18.08
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012017325	0	40	0.0	-34.03	375.64	12.10	-21.93
COC1=CC=C(C)C=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017326	0	40	0.0	-24.49	360.72	10.16	-14.33
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012017327	0	37	0.0	-30.30	355.40	9.09	-21.21
CC(C)C1CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])CCO1	REAL300012017328	0	46	0.0	-24.00	380.61	10.13	-13.87
CC1(C)CCC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])CC1	REAL300012017329	0	45	0.0	-28.46	373.34	10.91	-17.55
CCSC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017330	0	40	0.0	-27.05	374.17	12.04	-15.01
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012017331	1	34	0.0	-30.40	349.52	7.40	-23.00
COC1(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])CCCCC1	REAL300012017332	0	43	0.0	-22.04	348.26	9.28	-12.76
CCN1N=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012017333	0	42	0.0	-30.20	391.44	10.50	-19.70
COCCC1(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])CCCCC1	REAL300012017334	0	49	0.0	-27.22	395.50	9.86	-17.36
CCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017335	0	43	0.0	-28.43	392.53	10.75	-17.68
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012017336	0	36	0.0	-23.84	340.37	10.71	-13.13
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012017337	0	40	0.0	-31.38	379.93	11.60	-19.78
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012017338	0	38	0.0	-34.28	355.38	11.33	-22.95
CC(C)OC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017339	0	43	0.0	-27.52	386.80	10.49	-17.03
CC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC=C1F	REAL300012017340	0	36	0.0	-25.16	337.90	10.84	-14.32
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012017341	0	37	0.0	-27.74	351.04	9.72	-18.02
CC(C)CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017342	0	45	0.0	-26.28	398.72	12.33	-13.95
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012017343	0	33	0.0	-24.27	344.63	11.15	-13.12
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012017344	0	33	0.0	-28.41	340.67	10.22	-18.19
CC1=CC=CC(C)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017345	0	39	0.0	-21.25	342.48	11.14	-10.11
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012017346	0	30	0.0	-23.61	313.63	8.91	-14.70
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012017347	0	37	0.0	-27.41	350.42	9.72	-17.69
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012017348	0	33	0.0	-24.27	339.83	10.18	-14.09
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012017349	0	33	0.0	-25.98	334.78	10.71	-15.27
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012017350	0	33	0.0	-25.89	325.31	10.32	-15.57
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012017351	0	33	0.0	-29.90	332.91	10.67	-19.23
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012017352	0	40	0.0	-25.54	368.55	10.07	-15.47
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012017352	1	40	0.0	-25.18	375.64	9.57	-15.61
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012017353	0	33	0.0	-31.33	323.03	10.22	-21.11
CN1C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=NC2=CC=CC=C21	REAL300012017354	0	39	0.0	-31.02	357.58	10.48	-20.54
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=N1	REAL300012017355	0	36	0.0	-25.60	338.21	6.83	-18.77
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012017356	0	38	0.0	-30.04	355.57	9.56	-20.48
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012017357	0	37	0.0	-26.31	348.69	9.66	-16.65
CC1=CC(F)=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017358	0	36	0.0	-24.12	330.38	10.76	-13.36
CC1=NC(C)=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017359	0	35	0.0	-27.05	343.37	8.11	-18.94
CNC(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017360	0	40	0.0	-34.01	376.15	8.00	-26.01
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012017361	0	39	0.0	-25.00	357.28	12.40	-12.60
COC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC(OC)=C1	REAL300012017362	0	41	0.0	-26.17	371.49	8.79	-17.38
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012017364	0	39	0.0	-38.43	368.71	8.73	-29.70
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012017365	0	40	0.0	-31.44	379.08	9.64	-21.80
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012017366	0	39	0.0	-24.04	364.08	9.97	-14.07
CN1C=NC2=CC(C[NH2+]C(CC3=C(Cl)SC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012017367	0	39	0.0	-32.09	359.56	11.48	-20.61
CCN1N=C(C)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1C	REAL300012017368	0	42	0.0	-26.55	381.23	9.29	-17.26
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012017369	0	39	0.0	-23.32	369.15	8.61	-14.71
CC1=CC=C(F)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017370	0	36	0.0	-28.31	343.44	10.35	-17.96
CC1=CC=C(F)C=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017371	0	36	0.0	-21.87	328.70	10.70	-11.17
CC1=NC=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017372	0	35	0.0	-27.67	330.24	8.47	-19.20
CC1(C)CCCC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C1	REAL300012017373	0	45	0.0	-27.77	373.31	10.90	-16.87
CC1=CCCC(C)C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017374	0	43	0.0	-23.57	358.22	10.88	-12.69
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012017375	0	38	0.0	-24.60	345.88	10.48	-14.12
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017376	0	36	0.0	-22.86	339.03	11.14	-11.72
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012017377	0	37	0.0	-27.05	348.62	11.50	-15.55
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012017378	0	32	0.0	-25.71	322.88	8.78	-16.93
CN1N=NC2=CC(C[NH2+]C(CC3=C(Cl)SC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012017379	0	38	0.0	-34.40	355.16	8.59	-25.81
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1CCCCCC1	REAL300012017380	0	42	0.0	-29.00	351.87	10.50	-18.50
COC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017381	0	36	0.0	-21.98	338.34	6.80	-15.18
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012017382	0	40	0.0	-33.24	370.85	11.38	-21.86
CC(C)N1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=N1	REAL300012017383	0	39	0.0	-25.11	355.51	9.38	-15.73
CC1=NC2=CC=C(C[NH2+]C(CC3=C(Cl)SC(Cl)=C3)C(=O)[O-])C=C2C=C1	REAL300012017384	0	41	0.0	-33.12	382.38	10.68	-22.44
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012017385	0	35	0.0	-24.22	336.35	9.25	-14.97
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012017386	0	36	0.0	-24.55	346.78	10.78	-13.77
COCC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017387	0	40	0.0	-28.60	374.74	9.44	-19.16
CC(C)(C)C1CCC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])CC1	REAL300012017388	0	51	0.0	-28.35	407.32	11.95	-16.40
CC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C(C)O1	REAL300012017389	0	36	0.0	-27.93	340.14	9.29	-18.64
CC(C)CC1=NC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017390	0	41	0.0	-23.72	379.01	10.31	-13.41
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012017391	0	36	0.0	-26.50	341.79	9.31	-17.19
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017392	0	37	0.0	-27.92	347.02	8.94	-18.98
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])O1	REAL300012017393	0	33	0.0	-23.06	315.15	9.13	-13.93
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC=C1	REAL300012017394	0	33	0.0	-24.29	312.48	10.18	-14.11
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017395	0	41	0.0	-27.93	386.52	9.50	-18.43
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012017396	0	39	0.0	-26.00	357.00	9.34	-16.66
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012017397	0	33	0.0	-25.99	327.89	10.65	-15.34
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012017398	0	40	0.0	-26.42	369.99	11.35	-15.07
CC(C)(C)N1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=N1	REAL300012017399	0	42	0.0	-27.87	381.12	9.50	-18.37
CC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC(C)=C1	REAL300012017400	0	39	0.0	-26.27	360.34	10.96	-15.31
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(CO)O1	REAL300012017401	0	34	0.0	-25.68	326.56	5.79	-19.89
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CS1	REAL300012017402	0	30	0.0	-28.01	309.90	8.83	-19.18
CC(=O)NC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017403	0	40	0.0	-32.85	376.04	8.61	-24.24
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012017404	0	33	0.0	-26.26	327.17	10.05	-16.21
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012017405	0	35	0.0	-35.08	340.70	10.85	-24.23
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012017406	0	35	0.0	-35.20	347.90	10.39	-24.81
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012017407	0	39	0.0	-25.17	358.50	11.78	-13.39
CN(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017408	0	41	0.0	-27.92	371.20	10.13	-17.79
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012017409	0	33	0.0	-27.89	334.25	10.16	-17.73
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012017410	0	33	0.0	-25.52	339.04	10.16	-15.36
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012017411	0	33	0.0	-28.61	323.92	9.71	-18.90
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012017412	0	37	0.0	-26.03	355.42	9.28	-16.75
COC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1OC	REAL300012017413	0	41	0.0	-26.17	369.95	9.40	-16.77
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012017414	0	33	0.0	-24.01	349.10	10.67	-13.34
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012017415	0	41	0.0	-30.32	377.10	8.87	-21.45
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(OC)=C1	REAL300012017416	0	41	0.0	-25.92	377.31	8.36	-17.56
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012017417	0	36	0.0	-30.30	358.41	10.72	-19.58
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012017418	0	33	0.0	-25.66	331.66	9.81	-15.85
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012017419	0	33	0.0	-26.86	336.82	10.97	-15.89
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012017420	0	33	0.0	-28.29	350.27	10.65	-17.64
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1CC=CCC1	REAL300012017421	0	37	0.0	-29.13	333.17	9.95	-19.18
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012017422	0	37	0.0	-31.66	358.93	9.30	-22.36
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012017423	0	36	0.0	-25.93	336.90	11.05	-14.88
COC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017424	0	37	0.0	-27.10	341.99	9.48	-17.62
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017425	0	40	0.0	-24.25	358.84	11.91	-12.34
CC(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017426	0	42	0.0	-27.23	379.90	11.65	-15.58
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012017427	0	36	0.0	-27.92	349.89	11.13	-16.79
CCOC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017428	0	40	0.0	-24.76	369.68	10.01	-14.75
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017429	0	40	0.0	-27.73	368.88	9.87	-17.86
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC=C1F	REAL300012017430	0	33	0.0	-29.05	322.09	9.69	-19.36
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012017431	0	33	0.0	-27.51	318.89	10.25	-17.26
COC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017432	0	37	0.0	-24.28	345.67	9.00	-15.28
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])SC=C1	REAL300012017433	0	33	0.0	-26.13	326.29	9.31	-16.82
CC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017434	0	36	0.0	-22.05	322.28	10.63	-11.42
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017435	0	36	0.0	-27.42	341.08	10.40	-17.02
N#CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017436	0	34	0.0	-32.48	338.37	10.04	-22.44
CSC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017437	0	37	0.0	-28.48	359.89	10.74	-17.74
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012017438	0	33	0.0	-21.94	340.59	11.01	-10.93
CC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017439	0	36	0.0	-24.31	333.89	10.85	-13.46
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CSC=C1	REAL300012017440	0	30	0.0	-23.69	301.15	9.08	-14.61
CCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017441	0	39	0.0	-26.39	360.41	11.08	-15.31
CC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012017442	0	42	0.0	-23.78	370.04	11.29	-12.49
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012017443	0	33	0.0	-24.93	323.11	10.23	-14.70
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012017444	0	33	0.0	-29.89	331.06	9.80	-20.09
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017445	0	33	0.0	-27.96	331.78	9.62	-18.34
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1O	REAL300012017446	0	38	0.0	-29.94	359.93	6.86	-23.08
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017447	0	39	0.0	-27.69	361.56	8.51	-19.18
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017448	0	36	0.0	-24.87	355.69	8.29	-16.58
CCC1=NN(C)C=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017449	0	39	0.0	-27.21	357.93	8.82	-18.39
CN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012017450	0	45	0.0	-25.71	387.91	9.82	-15.89
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CN=C1	REAL300012017451	0	32	0.0	-27.83	312.35	7.86	-19.97
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CO1	REAL300012017452	0	30	0.0	-23.57	293.23	8.31	-15.26
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=NC=C1	REAL300012017453	0	32	0.0	-25.83	306.04	8.37	-17.46
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(Cl)O1	REAL300012017454	0	30	0.0	-30.89	317.49	8.47	-22.42
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017455	0	39	0.0	-25.96	375.46	10.55	-15.41
CC1=NOC(C)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017456	0	35	0.0	-27.77	336.80	8.51	-19.26
CC1=NC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CS1	REAL300012017457	0	32	0.0	-29.99	324.92	7.40	-22.59
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012017458	0	39	0.0	-24.12	365.60	9.93	-14.19
CN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=N1	REAL300012017459	0	33	0.0	-29.00	321.17	7.48	-21.52
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012017460	0	40	0.0	-28.12	367.93	9.72	-18.40
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017461	0	42	0.0	-25.58	364.79	8.52	-17.06
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NC=CN1	REAL300012017462	0	30	0.0	-23.25	291.91	6.91	-16.34
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017463	0	41	0.0	-24.49	368.80	8.91	-15.58
CN1C=CN=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017464	0	33	0.0	-30.03	310.82	8.49	-21.54
CC(C)(C)C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017465	0	35	0.0	-22.66	304.48	9.12	-13.54
COC1=CC=C(F)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017466	0	37	0.0	-22.64	345.17	9.47	-13.17
CSC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017467	0	34	0.0	-28.50	353.19	10.04	-18.46
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012017468	0	36	0.0	-25.16	343.53	8.29	-16.87
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN=CN=C1	REAL300012017469	0	31	0.0	-30.79	309.31	7.73	-23.06
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012017470	0	30	0.0	-22.99	316.68	9.68	-13.31
COC1=CC=C(F)C=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017471	0	37	0.0	-27.32	354.22	9.14	-18.18
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NNC=C1	REAL300012017472	0	30	0.0	-23.37	291.07	6.54	-16.83
NC(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017473	0	37	0.0	-33.90	354.22	6.50	-27.40
COC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC=C1F	REAL300012017474	0	37	0.0	-31.49	355.40	9.08	-22.41
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017475	0	37	0.0	-26.58	364.55	9.58	-17.00
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN=CS1	REAL300012017476	0	29	0.0	-28.75	304.43	6.96	-21.79
CN1C=NC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017477	0	33	0.0	-28.20	319.82	8.87	-19.33
COC(=O)C1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CN1C	REAL300012017478	0	40	0.0	-33.98	371.91	10.38	-23.60
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300012017479	0	36	0.0	-29.79	355.14	10.82	-18.97
COC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC=C1C	REAL300012017480	0	40	0.0	-28.85	369.25	9.76	-19.09
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CSC=N1	REAL300012017481	0	29	0.0	-22.31	297.10	7.18	-15.13
CC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1F	REAL300012017482	0	36	0.0	-23.86	343.41	10.30	-13.56
N#CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012017483	0	34	0.0	-29.63	346.07	10.12	-19.51
CC1=NNC(C)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017484	0	36	0.0	-27.34	340.17	7.26	-20.08
CC1=NNC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017485	0	33	0.0	-27.79	317.03	6.73	-21.06
CN1N=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017486	0	33	0.0	-27.46	317.92	7.20	-20.26
C#CCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017487	0	42	0.0	-29.68	398.31	11.27	-18.41
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012017488	0	36	0.0	-24.43	339.47	10.69	-13.74
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=C(Cl)SC(Cl)=C3)C(=O)[O-])C=C12	REAL300012017489	0	41	0.0	-34.48	384.62	9.41	-25.07
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012017490	0	36	0.0	-21.63	348.94	9.40	-12.23
CCC1=NC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CS1	REAL300012017491	0	35	0.0	-29.68	346.41	8.15	-21.53
CC1=NN(C)C=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017492	0	36	0.0	-28.12	340.74	7.97	-20.15
CCN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=N1	REAL300012017493	0	36	0.0	-28.61	342.70	8.35	-20.26
CN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])N=N1	REAL300012017494	0	32	0.0	-25.25	309.29	6.68	-18.57
NC(=O)C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017495	0	37	0.0	-35.82	347.03	6.96	-28.86
CN1C=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017496	0	33	0.0	-30.91	321.23	7.39	-23.52
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1CCCCCCC1	REAL300012017497	0	45	0.0	-27.27	360.20	10.83	-16.44
CC1=CSC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017498	0	32	0.0	-26.18	317.75	7.88	-18.30
COC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1F	REAL300012017499	0	37	0.0	-30.95	346.04	9.47	-21.48
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012017500	0	40	0.0	-26.79	363.04	11.55	-15.24
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=COC=N1	REAL300012017501	0	29	0.0	-23.03	286.58	4.74	-18.29
CCN1N=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017502	0	36	0.0	-24.55	324.36	8.47	-16.08
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012017503	0	39	0.0	-26.37	361.01	9.92	-16.45
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012017504	0	38	0.0	-27.80	352.17	10.62	-17.18
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])SC=N1	REAL300012017505	0	32	0.0	-27.31	321.04	7.37	-19.94
COC1=CC(F)=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017506	0	37	0.0	-25.95	348.41	9.55	-16.40
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=N1	REAL300012017507	0	43	0.0	-25.98	382.79	10.09	-15.89
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=CS1	REAL300012017508	0	33	0.0	-26.61	326.91	9.43	-17.18
CS(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017509	0	38	0.0	-35.87	371.89	8.31	-27.56
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012017510	0	43	0.0	-24.17	375.18	12.67	-11.50
N#CC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017511	0	33	0.0	-25.09	327.11	8.60	-16.49
COC(=O)C1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CN1	REAL300012017512	0	37	0.0	-30.09	359.18	8.08	-22.01
COCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])O1	REAL300012017513	0	37	0.0	-23.82	347.49	8.15	-15.67
CC1=NC(F)=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017514	0	35	0.0	-29.17	336.02	8.46	-20.71
COC1=CC(C)=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017515	0	40	0.0	-24.17	367.10	9.66	-14.51
CC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CS1	REAL300012017516	0	33	0.0	-23.60	323.03	9.89	-13.71
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])N=N1	REAL300012017517	0	34	0.0	-23.80	324.00	7.88	-15.92
CN1N=NC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017518	0	32	0.0	-29.99	312.27	6.01	-23.98
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012017519	0	30	0.0	-23.36	318.27	9.76	-13.60
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012017520	0	46	0.0	-27.20	403.22	12.91	-14.29
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])N(C)N=C1	REAL300012017521	0	36	0.0	-23.78	331.12	8.29	-15.49
CC1=CC(Cl)=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017522	0	36	0.0	-29.29	357.82	10.89	-18.40
COCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017523	0	40	0.0	-29.28	374.74	9.45	-19.83
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012017524	0	40	0.0	-26.70	370.10	11.84	-14.86
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012017525	0	40	0.0	-24.23	361.71	12.29	-11.94
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012017526	0	29	0.0	-25.32	313.02	7.90	-17.42
C=CN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=N1	REAL300012017527	0	34	0.0	-25.91	325.77	9.15	-16.76
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012017528	0	43	0.0	-24.47	377.32	10.63	-13.84
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012017529	0	36	0.0	-29.76	353.84	10.65	-19.11
COC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012017530	0	42	0.0	-26.67	376.34	7.32	-19.35
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017531	0	37	0.0	-24.77	357.86	9.34	-15.43
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017532	0	43	0.0	-26.62	382.63	10.29	-16.33
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=NN1C	REAL300012017533	0	36	0.0	-30.64	338.89	7.88	-22.76
CCCN1N=C(C)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1C	REAL300012017534	0	45	0.0	-28.94	401.69	10.00	-18.94
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012017535	0	38	0.0	-29.76	359.52	9.30	-20.46
COCCN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=N1	REAL300012017536	0	40	0.0	-29.42	376.37	7.39	-22.03
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012017537	0	43	0.0	-26.33	383.28	12.23	-14.10
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012017538	0	40	0.0	-30.11	377.26	10.02	-20.09
N#CC1=CSC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017539	0	31	0.0	-29.62	323.75	9.70	-19.92
COC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC=C1C#N	REAL300012017540	0	38	0.0	-35.40	369.39	9.43	-25.97
CC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC=C1C#N	REAL300012017541	0	37	0.0	-32.61	358.36	10.57	-22.04
CC1=CN=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017542	0	32	0.0	-26.32	319.19	8.11	-18.21
CC(C)CN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=N1	REAL300012017543	0	42	0.0	-24.43	372.39	10.40	-14.03
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012017544	0	40	0.0	-23.15	351.70	12.07	-11.08
CCC1=CN=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017545	0	35	0.0	-25.39	339.36	8.86	-16.53
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017546	0	42	0.0	-27.05	380.20	9.43	-17.62
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012017547	0	36	0.0	-28.35	357.59	9.35	-19.00
CC(C)C1=NC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017548	0	38	0.0	-28.07	368.64	9.03	-19.04
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012017549	0	36	0.0	-27.02	348.51	9.10	-17.92
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])N1	REAL300012017550	0	41	0.0	-35.88	374.84	7.83	-28.05
NC(=O)C1=CSC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017551	0	34	0.0	-32.84	337.50	6.01	-26.83
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017552	0	45	0.0	-26.06	401.36	9.84	-16.22
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012017553	0	39	0.0	-23.70	365.72	10.25	-13.45
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017554	0	39	0.0	-24.12	359.09	10.93	-13.19
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012017555	0	33	0.0	-24.19	328.72	8.08	-16.11
CC(C)C1=CN=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017556	0	38	0.0	-25.08	359.30	9.44	-15.64
CC(C)(C)C1=CN=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017557	0	41	0.0	-25.64	378.83	9.97	-15.67
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012017558	0	36	0.0	-23.11	344.57	9.51	-13.60
COCCCN1N=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017559	0	43	0.0	-26.97	392.56	8.08	-18.89
CC1=CC(F)=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(Cl)=C1	REAL300012017560	0	36	0.0	-26.17	360.45	10.83	-15.34
CSCC1=CN=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017561	0	36	0.0	-27.43	363.90	9.34	-18.09
CCN1N=C(C)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017562	0	38	0.0	-22.43	350.32	7.73	-14.70
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012017563	0	40	0.0	-26.58	367.57	11.77	-14.81
CC1=NN(C)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017564	0	36	0.0	-25.99	333.72	8.29	-17.70
N#CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012017565	0	34	0.0	-32.68	337.93	10.57	-22.11
CC1=CC(F)=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012017566	0	36	0.0	-27.02	351.71	10.45	-16.57
CC(C)CN1N=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017567	0	42	0.0	-25.01	374.95	9.72	-15.29
COC(=O)C1=C(C)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CN1	REAL300012017568	0	40	0.0	-29.19	375.93	8.69	-20.50
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017569	0	43	0.0	-31.48	394.14	11.60	-19.88
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017570	0	42	0.0	-24.34	371.44	11.41	-12.93
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012017571	0	40	0.0	-22.69	355.77	9.48	-13.21
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012017572	0	39	0.0	-25.81	361.49	9.78	-16.03
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012017573	0	35	0.0	-25.11	335.10	8.98	-16.13
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(Cl)=C1	REAL300012017574	0	36	0.0	-23.54	353.79	10.83	-12.71
CCC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017575	0	39	0.0	-24.20	355.37	11.61	-12.59
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012017576	0	37	0.0	-25.66	354.74	9.03	-16.63
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012017577	0	40	0.0	-23.50	356.70	12.02	-11.48
COC1=CC=CC(F)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017578	0	37	0.0	-27.34	351.00	9.02	-18.32
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012017579	0	35	0.0	-24.43	343.29	9.88	-14.55
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012017580	0	37	0.0	-32.23	346.16	8.32	-23.91
CCC1=C2OC(C[NH2+]C(CC3=C(Cl)SC(Cl)=C3)C(=O)[O-])=CC2=CC=C1	REAL300012017581	0	42	0.0	-23.60	383.26	12.13	-11.47
C=CCCN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])N=N1	REAL300012017582	0	39	0.0	-23.67	363.70	8.80	-14.87
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012017583	0	40	0.0	-28.16	372.86	9.72	-18.44
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012017584	0	43	0.0	-26.18	383.70	10.48	-15.70
COC1=NC=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017585	0	36	0.0	-27.55	336.89	6.92	-20.63
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012017586	0	46	0.0	-24.16	396.71	13.39	-10.77
COCC1=CSC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017587	0	37	0.0	-23.80	356.69	8.97	-14.83
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012017588	0	39	0.0	-22.91	353.35	8.62	-14.29
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012017589	0	33	0.0	-22.64	333.08	9.50	-13.14
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012017590	0	33	0.0	-35.38	335.49	9.85	-25.53
CCCN1N=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017591	0	39	0.0	-26.54	358.89	9.02	-17.52
CCCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017592	0	39	0.0	-22.10	367.58	11.65	-10.45
CC(C)C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017593	0	42	0.0	-23.57	371.39	12.06	-11.51
CN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(Cl)=N1	REAL300012017594	0	33	0.0	-32.87	339.10	7.93	-24.94
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012017595	0	46	0.0	-23.38	402.23	13.65	-9.73
COC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC=C1Cl	REAL300012017596	0	37	0.0	-29.80	363.89	9.53	-20.27
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012017597	0	43	0.0	-26.76	389.37	10.22	-16.54
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012017598	0	36	0.0	-24.58	346.66	10.42	-14.16
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017599	0	40	0.0	-29.85	368.59	9.09	-20.76
CN1N=CC2=CC(C[NH2+]C(CC3=C(Cl)SC(Cl)=C3)C(=O)[O-])=CN=C21	REAL300012017600	0	38	0.0	-31.39	356.80	9.31	-22.08
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017601	0	43	0.0	-28.39	383.87	9.70	-18.69
CC1=C(C)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CS1	REAL300012017602	0	36	0.0	-22.12	334.88	10.38	-11.74
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012017603	0	32	0.0	-28.22	330.08	8.87	-19.35
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012017604	0	39	0.0	-27.15	364.88	11.85	-15.30
CCOC1=CC(F)=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017605	0	40	0.0	-28.18	375.29	9.94	-18.24
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017606	0	36	0.0	-24.02	336.34	11.06	-12.96
COC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C(F)C=C1C	REAL300012017607	0	40	0.0	-29.75	373.78	9.81	-19.94
CC(C)(C)C1=CSC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017608	0	41	0.0	-26.50	378.07	9.89	-16.61
COCCC1=NC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017609	0	39	0.0	-28.44	379.38	7.42	-21.02
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012017610	1	34	0.0	-26.99	339.79	6.99	-20.00
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012017611	0	41	0.0	-23.86	358.69	10.16	-13.70
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012017612	0	35	0.0	-30.07	340.25	10.73	-19.34
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012017613	0	38	0.0	-26.65	345.22	10.35	-16.30
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012017614	0	37	0.0	-30.85	348.54	8.59	-22.26
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017615	0	40	0.0	-26.90	372.86	9.94	-16.96
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012017616	0	38	0.0	-31.66	344.92	11.13	-20.53
CC1=COC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017617	0	33	0.0	-23.41	315.14	9.00	-14.41
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012017618	0	32	0.0	-21.21	322.89	8.80	-12.41
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017619	0	40	0.0	-28.47	369.34	11.02	-17.45
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012017621	0	36	0.0	-32.76	350.61	8.52	-24.24
CCCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017623	0	42	0.0	-26.39	381.91	11.86	-14.53
CC1=C2C=C(C[NH2+]C(CC3=C(Cl)SC(Cl)=C3)C(=O)[O-])C=NC2=NN1	REAL300012017624	0	38	0.0	-31.26	354.23	8.65	-22.61
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NC=CS1	REAL300012017625	0	29	0.0	-26.18	295.95	7.28	-18.90
CN1N=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012017626	0	39	0.0	-30.03	368.31	9.60	-20.43
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012017627	0	36	0.0	-26.40	338.05	8.76	-17.64
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012017627	1	36	0.0	-25.44	345.45	8.31	-17.13
CCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017628	0	36	0.0	-27.31	351.95	10.36	-16.95
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012017629	0	38	0.0	-26.90	348.90	10.43	-16.47
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012017630	0	39	0.0	-31.02	366.16	10.69	-20.33
CCC1=NC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])S1	REAL300012017631	0	35	0.0	-28.35	347.86	8.43	-19.92
COC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])SC=C1	REAL300012017632	0	34	0.0	-25.91	339.80	8.12	-17.79
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012017633	0	39	0.0	-26.57	367.35	8.37	-18.20
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CSC=C1Cl	REAL300012017634	0	30	0.0	-23.85	324.37	9.12	-14.73
CCCC(C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012017635	0	45	0.0	-25.14	394.82	12.28	-12.86
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1CC2CCC1C2	REAL300012017636	0	40	0.0	-29.30	344.95	10.35	-18.95
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(F)N=C1	REAL300012017637	0	32	0.0	-27.17	313.75	8.34	-18.83
CC1(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])CCC1	REAL300012017638	0	36	0.0	-22.90	313.58	9.76	-13.14
CC1(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])CC1	REAL300012017639	0	33	0.0	-23.54	297.66	9.38	-14.16
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1(C(F)F)CC1	REAL300012017640	0	33	0.0	-26.53	308.81	9.58	-16.95
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])NN=C1	REAL300012017641	0	33	0.0	-28.83	318.71	6.76	-22.07
CC1=CNN=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017641	1	33	0.0	-23.21	313.29	7.21	-16.00
CC1=CN=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])N1C	REAL300012017642	0	36	0.0	-32.22	338.67	8.53	-23.69
CC(C)C1CCC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])CC1	REAL300012017643	0	48	0.0	-27.00	387.41	11.43	-15.57
CCC1=NOC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017644	0	35	0.0	-28.37	335.72	8.44	-19.93
CN1N=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1Cl	REAL300012017645	0	33	0.0	-25.74	336.15	7.77	-17.97
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012017646	0	35	0.0	-25.47	333.81	7.62	-17.85
CC1=CN=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017647	0	35	0.0	-27.47	327.66	8.48	-18.99
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012017648	0	40	0.0	-28.63	366.69	11.75	-16.88
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012017649	0	39	0.0	-27.60	366.82	10.40	-17.20
CC(C)N1C=CN=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017651	0	39	0.0	-20.22	350.37	9.91	-10.31
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017652	0	40	0.0	-22.89	360.92	9.75	-13.14
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017653	0	43	0.0	-28.05	386.77	9.87	-18.18
CC1=NC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])N1C	REAL300012017654	0	36	0.0	-28.34	331.70	9.10	-19.24
CC1=C2C=C(C[NH2+]C(CC3=C(Cl)SC(Cl)=C3)C(=O)[O-])NC2=CC=C1	REAL300012017655	0	40	0.0	-28.46	370.36	10.23	-18.23
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012017656	0	39	0.0	-29.86	369.71	8.81	-21.05
CC1=CC=C2C=C(C[NH2+]C(CC3=C(Cl)SC(Cl)=C3)C(=O)[O-])NC2=C1	REAL300012017657	0	40	0.0	-27.81	370.78	10.24	-17.57
CC1=NC=CN=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017658	0	34	0.0	-27.28	318.14	6.95	-20.33
CCOC1=CN=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017659	0	39	0.0	-29.42	365.97	8.12	-21.30
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012017660	0	32	0.0	-27.99	323.04	8.31	-19.68
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012017661	0	36	0.0	-31.96	344.48	8.38	-23.58
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017662	0	41	0.0	-27.01	349.45	10.45	-16.56
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=NC(F)=C1	REAL300012017663	0	32	0.0	-30.45	313.80	8.36	-22.09
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012017664	0	37	0.0	-25.42	342.53	10.17	-15.25
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012017665	0	36	0.0	-34.65	345.09	7.67	-26.98
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012017666	0	35	0.0	-26.49	340.59	9.22	-17.27
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017667	0	42	0.0	-25.68	383.01	10.58	-15.10
COC1=CN=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1C	REAL300012017668	0	39	0.0	-24.24	346.06	8.19	-16.05
CC1=CC(C)=C(C=CC[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012017669	0	46	0.0	-25.07	401.23	13.27	-11.80
CCCN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])N=N1	REAL300012017670	0	38	0.0	-23.82	350.89	8.25	-15.57
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017671	0	41	0.0	-25.09	375.15	9.72	-15.37
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012017672	0	37	0.0	-22.87	343.85	10.83	-12.04
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012017673	0	38	0.0	-33.27	358.59	10.57	-22.70
CC1=CC(C)=C(C=CC[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012017674	0	46	0.0	-26.21	399.40	13.20	-13.01
CC1=NSC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017675	0	32	0.0	-24.10	319.04	8.59	-15.51
CCN1N=CN=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017676	0	35	0.0	-21.57	325.88	9.35	-12.22
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012017677	0	36	0.0	-30.74	348.40	7.02	-23.72
CCC1=CNC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017678	0	36	0.0	-32.66	341.13	7.74	-24.92
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012017679	0	42	0.0	-29.15	372.63	10.22	-18.93
CC1=NN(C)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1Cl	REAL300012017680	0	36	0.0	-20.83	349.29	8.76	-12.07
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012017681	0	41	0.0	-25.53	364.87	10.77	-14.76
CCC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(Cl)=NN1	REAL300012017682	0	36	0.0	-30.94	357.78	7.84	-23.10
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012017683	0	37	0.0	-26.54	357.52	9.09	-17.45
CCC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C)=NO1	REAL300012017684	0	38	0.0	-26.66	354.38	9.31	-17.35
CCN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])N=N1	REAL300012017685	0	35	0.0	-24.88	330.71	7.52	-17.36
CC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012017686	0	45	0.0	-23.49	381.35	11.25	-12.24
CCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])O1	REAL300012017687	0	37	0.0	-30.10	355.29	9.23	-20.87
CCN1C=NC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017688	0	36	0.0	-22.76	335.04	10.31	-12.45
CC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CN=C1F	REAL300012017689	0	35	0.0	-29.67	334.12	8.97	-20.70
CC1=CC(F)=NC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017690	0	35	0.0	-30.31	334.07	8.42	-21.89
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012017691	0	36	0.0	-27.71	351.69	11.14	-16.57
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012017692	0	40	0.0	-27.31	364.00	9.63	-17.68
CC1CC2=CC(C[NH2+]C(CC3=C(Cl)SC(Cl)=C3)C(=O)[O-])=CC=C2O1	REAL300012017693	0	41	0.0	-25.24	368.06	10.72	-14.52
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012017694	0	36	0.0	-30.39	351.43	7.21	-23.18
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012017695	0	38	0.0	-24.68	353.27	9.46	-15.22
CSCC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017696	0	40	0.0	-29.16	385.80	11.61	-17.55
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012017697	0	43	0.0	-29.01	384.74	10.93	-18.08
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017698	0	41	0.0	-29.88	374.97	7.33	-22.55
CN1N=C2CCCC2=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017699	0	40	0.0	-25.19	358.38	9.63	-15.56
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012017700	0	40	0.0	-24.73	359.94	9.93	-14.80
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012017701	0	40	0.0	-24.98	360.65	9.97	-15.01
COC1=CC=C(C)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017702	0	40	0.0	-21.92	351.78	9.92	-12.00
CN1C=NC2=CC=CC(C[NH2+]C(CC3=C(Cl)SC(Cl)=C3)C(=O)[O-])=C21	REAL300012017703	0	39	0.0	-28.77	355.93	10.89	-17.88
CCC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017704	0	39	0.0	-25.59	353.16	11.00	-14.59
CC1=CC(F)=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017705	0	36	0.0	-29.28	345.34	10.38	-18.90
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C)=C1C	REAL300012017706	0	42	0.0	-25.24	367.08	11.36	-13.88
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017707	0	45	0.0	-23.53	365.04	11.71	-11.82
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012017708	0	43	0.0	-27.08	367.23	10.54	-16.54
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012017709	0	36	0.0	-27.35	339.25	9.75	-17.60
CCN1CCC2=CC(C[NH2+]C(CC3=C(Cl)SC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012017710	0	45	0.0	-24.88	391.79	10.81	-14.07
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=NN1C(C)C	REAL300012017711	0	42	0.0	-30.12	380.46	9.41	-20.71
CC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012017712	0	43	0.0	-24.11	379.52	12.80	-11.31
CCOC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC=N1	REAL300012017713	0	39	0.0	-31.95	368.62	7.36	-24.59
CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1C1CC1	REAL300012017714	0	43	0.0	-24.43	379.52	12.80	-11.63
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])O1	REAL300012017715	0	34	0.0	-30.30	333.44	8.29	-22.01
COCCOC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])O1	REAL300012017716	0	41	0.0	-31.47	387.60	8.43	-23.04
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017717	0	45	0.0	-26.94	403.13	10.04	-16.90
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012017718	0	36	0.0	-24.31	343.49	8.89	-15.42
CCN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012017719	0	39	0.0	-27.84	356.45	9.43	-18.41
CN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012017720	0	40	0.0	-27.95	367.16	10.16	-17.79
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017721	0	40	0.0	-26.02	363.49	9.79	-16.23
CC(C)C1=NOC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017722	0	38	0.0	-28.66	357.90	9.00	-19.66
COC1=NC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1F	REAL300012017723	0	36	0.0	-26.50	351.02	6.43	-20.07
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012017724	0	33	0.0	-27.80	329.87	10.14	-17.66
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012017725	0	45	0.0	-28.13	403.62	11.27	-16.86
CC1=C(C)SC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017726	0	35	0.0	-26.55	337.96	8.62	-17.93
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CSN=C1	REAL300012017727	0	29	0.0	-29.54	304.18	7.36	-22.18
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017728	0	45	0.0	-24.45	387.10	12.05	-12.40
CC(C)CN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])N=N1	REAL300012017729	0	41	0.0	-24.40	372.00	9.04	-15.36
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012017730	0	36	0.0	-25.08	355.51	8.94	-16.14
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012017731	0	33	0.0	-31.42	340.74	7.05	-24.37
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012017732	0	38	0.0	-28.27	348.34	10.02	-18.25
CN1C=C(Cl)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017733	1	33	0.0	-23.84	330.61	8.34	-15.50
CSC1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017734	0	37	0.0	-27.17	352.70	11.20	-15.97
CC(C)C1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])N(C)N=C1	REAL300012017735	0	42	0.0	-22.78	372.35	9.60	-13.18
CC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC(C)=N1	REAL300012017736	0	38	0.0	-29.24	356.46	9.13	-20.11
CCCN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012017737	0	42	0.0	-26.86	375.97	10.14	-16.72
CCN1C=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017738	0	36	0.0	-23.27	335.58	8.71	-14.56
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012017739	0	35	0.0	-27.43	335.12	8.90	-18.53
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012017741	0	40	0.0	-22.26	377.69	12.43	-9.83
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012017742	0	41	0.0	-29.91	380.22	10.69	-19.22
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017743	0	40	0.0	-35.50	367.64	8.41	-27.09
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012017744	0	40	0.0	-25.67	358.28	9.04	-16.63
CCCN1C=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017745	0	39	0.0	-22.95	357.08	9.47	-13.48
CC(C)N1C=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017746	0	39	0.0	-22.57	354.26	9.24	-13.33
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017747	0	44	0.0	-29.50	391.08	10.22	-19.28
CN1C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=NC2=C1CCCC2	REAL300012017748	0	43	0.0	-30.16	373.89	10.81	-19.35
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017749	0	36	0.0	-26.05	362.32	6.91	-19.14
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012017750	0	36	0.0	-30.15	346.99	11.00	-19.15
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012017751	0	41	0.0	-25.07	355.40	10.08	-14.99
COC1=NN(C)C=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017752	0	37	0.0	-26.49	353.24	5.38	-21.11
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012017753	0	37	0.0	-27.56	351.91	7.51	-20.05
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012017754	0	40	0.0	-22.84	356.77	11.01	-11.83
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012017755	0	35	0.0	-32.79	354.30	10.46	-22.33
COC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=N1	REAL300012017757	0	39	0.0	-29.35	361.99	7.03	-22.32
COC1=CC(C)=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1O	REAL300012017758	0	41	0.0	-25.50	364.14	7.82	-17.68
COC1=NC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC=C1C	REAL300012017759	0	39	0.0	-21.77	358.47	7.51	-14.26
CCCN1C=NC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017760	0	39	0.0	-26.25	341.64	10.71	-15.54
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CNC1=O	REAL300012017761	0	33	0.0	-41.06	323.29	6.63	-34.43
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012017762	0	46	0.0	-26.38	408.64	13.16	-13.22
CCC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=NN1CC	REAL300012017763	0	42	0.0	-23.45	371.85	10.11	-13.34
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012017764	0	37	0.0	-29.55	351.27	8.17	-21.38
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012017765	0	37	0.0	-30.65	360.73	9.18	-21.47
COC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=CS1	REAL300012017766	0	34	0.0	-24.62	332.71	8.57	-16.05
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017767	0	39	0.0	-26.82	364.37	11.66	-15.16
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012017768	0	33	0.0	-31.58	336.93	9.90	-21.68
CC(C)(C)C1=NNC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017769	0	42	0.0	-28.98	380.34	8.50	-20.48
C=CCC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017770	0	40	0.0	-25.81	366.81	11.59	-14.22
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012017771	0	37	0.0	-26.28	343.53	11.47	-14.81
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012017772	0	36	0.0	-29.44	338.96	8.20	-21.24
COCC1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017773	0	40	0.0	-25.49	364.00	9.48	-16.01
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012017774	0	41	0.0	-26.22	366.20	10.27	-15.95
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012017775	0	37	0.0	-32.22	354.12	4.99	-27.23
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012017776	0	39	0.0	-31.75	372.14	7.81	-23.94
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012017777	0	36	0.0	-28.25	337.23	9.68	-18.57
C=CC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017778	0	37	0.0	-27.89	350.80	10.81	-17.08
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017779	0	39	0.0	-32.09	360.17	11.25	-20.84
CCN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012017780	0	43	0.0	-27.64	388.70	11.02	-16.62
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017781	0	41	0.0	-24.94	352.09	9.72	-15.22
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012017782	0	38	0.0	-28.17	353.49	10.65	-17.52
CC1=CC2=CC=CC(C[NH2+]C(CC3=C(Cl)SC(Cl)=C3)C(=O)[O-])=C2O1	REAL300012017783	0	39	0.0	-25.54	368.90	10.87	-14.67
COC1=CSC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1OC	REAL300012017784	0	38	0.0	-25.87	365.26	8.22	-17.65
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012017785	0	39	0.0	-28.80	364.38	9.80	-19.00
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017786	0	36	0.0	-34.21	356.31	5.77	-28.44
CCN1C=C(Cl)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017787	1	36	0.0	-24.31	353.45	9.24	-15.07
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012017788	0	36	0.0	-27.26	344.66	11.04	-16.22
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012017789	0	39	0.0	-28.43	361.69	12.40	-16.03
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012017790	0	30	0.0	-27.32	326.70	9.28	-18.04
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012017791	0	43	0.0	-29.91	385.23	10.13	-19.78
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012017792	0	36	0.0	-26.79	345.05	8.81	-17.98
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012017793	0	32	0.0	-27.38	334.20	8.33	-19.05
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017794	0	40	0.0	-27.36	373.51	7.81	-19.55
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012017795	0	40	0.0	-22.89	360.71	9.86	-13.03
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012017796	0	36	0.0	-25.70	349.89	9.04	-16.66
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012017797	0	37	0.0	-34.85	365.60	9.15	-25.70
CC1=CN(C)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017798	0	36	0.0	-21.25	332.74	9.10	-12.15
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012017799	0	43	0.0	-22.48	378.27	10.53	-11.95
CC1=NSC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017800	0	32	0.0	-27.72	319.53	7.78	-19.94
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012017801	0	36	0.0	-31.07	341.11	10.62	-20.45
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012017802	0	36	0.0	-31.72	343.78	8.35	-23.37
CC1=C(F)C=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017803	0	36	0.0	-24.99	327.59	10.66	-14.33
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017804	0	38	0.0	-30.82	360.88	9.95	-20.87
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017805	0	35	0.0	-28.36	346.47	8.94	-19.42
COC1=CC(Cl)=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017806	0	37	0.0	-25.24	358.73	9.99	-15.25
COC1=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=CC(F)=C1F	REAL300012017807	0	37	0.0	-27.46	353.19	9.57	-17.89
COC1=CC(C)=NC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017808	0	39	0.0	-27.23	364.90	7.91	-19.32
CC(C)N1C=NC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017809	0	39	0.0	-22.62	355.98	10.74	-11.88
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012017810	0	39	0.0	-23.77	361.75	10.58	-13.19
CC(C)OC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])O1	REAL300012017811	0	40	0.0	-22.55	367.07	10.37	-12.18
N#CC1=CC(F)=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017812	0	34	0.0	-33.44	346.95	10.17	-23.27
COC1=CC=CC=C1C=CC[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017813	0	41	0.0	-28.59	371.90	10.83	-17.76
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017814	0	43	0.0	-26.90	385.34	10.02	-16.88
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012017815	0	39	0.0	-25.95	366.39	9.58	-16.37
COC1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012017816	0	39	0.0	-27.28	359.63	6.93	-20.35
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=NS1	REAL300012017817	0	32	0.0	-29.08	321.10	8.09	-20.99
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=NO1	REAL300012017818	0	32	0.0	-23.84	306.38	8.40	-15.44
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012017819	0	36	0.0	-28.75	345.50	10.46	-18.29
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012017820	0	36	0.0	-25.88	349.42	11.55	-14.33
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC=C1CO	REAL300012017821	0	37	0.0	-26.96	341.75	7.08	-19.88
CC1=NSC(C)=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017822	0	35	0.0	-28.25	342.23	8.56	-19.69
CC(C)(C)C1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=NO1	REAL300012017823	0	41	0.0	-21.75	354.10	10.05	-11.70
C=CCN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=N1	REAL300012017824	0	37	0.0	-25.75	349.64	9.40	-16.35
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012017825	0	36	0.0	-31.70	337.42	8.84	-22.86
CCC(C)C1=CC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=C1	REAL300012017826	0	45	0.0	-27.20	398.34	12.31	-14.89
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=N1	REAL300012017827	0	38	0.0	-23.28	361.59	10.12	-13.16
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012017828	0	43	0.0	-25.40	373.70	12.04	-13.36
O=C([O-])C(CC1=C(Cl)SC(Cl)=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012017829	0	39	0.0	-35.56	372.05	9.63	-25.93
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012017830	0	42	0.0	-26.58	374.49	12.38	-14.20
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017831	0	41	0.0	-26.07	372.04	9.56	-16.51
CC1=NC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C(C)S1	REAL300012017832	0	35	0.0	-23.82	345.15	8.13	-15.69
CCCN1N=CC(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1C	REAL300012017833	0	42	0.0	-31.08	384.35	9.57	-21.51
CC1=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012017834	0	41	0.0	-29.52	374.10	10.75	-18.77
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])=C1	REAL300012017835	0	40	0.0	-29.63	378.77	9.74	-19.89
CCCN1N=C(C)C=C1C[NH2+]C(CC1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300012017836	0	42	0.0	-24.05	364.63	9.69	-14.36
CN1C=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012017837	0	43	0.0	-28.09	390.96	10.14	-17.95
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=C(Cl)SC(Cl)=C2)C(=O)[O-])O1	REAL300012017838	0	41	0.0	-30.16	378.88	7.20	-22.96
CC1=CC=C(N2C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012017839	0	54	0.0	-25.32	411.48	11.78	-13.54
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012017840	0	50	0.0	-29.09	405.91	10.76	-18.33
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017841	0	42	0.0	-23.46	365.10	9.64	-13.82
CC(F)(F)CC([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012017842	0	49	0.0	-26.37	403.14	12.24	-14.13
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012017843	0	39	0.0	-28.09	322.09	7.44	-20.65
CC(F)(F)CC([NH2+]CC1=CC=C(Br)O1)C(=O)[O-]	REAL300012017844	0	29	0.0	-23.89	268.69	6.48	-17.41
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OCC1=CC=C(F)C=C1	REAL300012017845	0	50	0.0	-30.56	414.41	10.88	-19.68
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C2)C=C1	REAL300012017846	0	50	0.0	-34.98	409.01	8.96	-26.02
CC(F)(F)CC([NH2+]CC1=CC=CC(NC(=O)C2=CC=CC=C2Cl)=C1)C(=O)[O-]	REAL300012017847	0	46	0.0	-35.43	391.87	10.19	-25.24
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017848	0	42	0.0	-28.93	343.98	9.39	-19.54
CC(F)(F)CC([NH2+]CC1=CN(CCC#N)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012017849	0	46	0.0	-33.40	388.45	10.15	-23.25
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OC(F)F	REAL300012017850	0	40	0.0	-29.71	335.99	7.11	-22.60
CC(F)(F)CC([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1)C(=O)[O-]	REAL300012017851	0	48	0.0	-32.05	397.02	10.39	-21.66
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1)C(=O)[O-]	REAL300012017852	1	39	0.0	-25.13	347.78	10.13	-15.00
CCOC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC(Br)=C1OC	REAL300012017853	0	43	0.0	-29.13	371.19	8.48	-20.65
CCOC1=C(Br)C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012017854	0	43	0.0	-29.95	372.56	8.56	-21.39
CCCOC1=CC=C(Br)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017855	0	42	0.0	-25.81	360.40	9.36	-16.45
CCOC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OC	REAL300012017856	0	43	0.0	-28.82	348.09	7.75	-21.07
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1)C(=O)[O-]	REAL300012017857	0	46	0.0	-24.67	377.33	10.99	-13.68
CCCCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012017858	0	48	0.0	-26.12	381.25	10.18	-15.94
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C(=O)[O-]	REAL300012017859	0	41	0.0	-30.99	354.69	10.17	-20.82
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1)C(=O)[O-]	REAL300012017860	1	41	0.0	-30.49	356.04	10.23	-20.26
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1Br	REAL300012017861	0	36	0.0	-26.08	315.32	7.56	-18.52
CC(C)OC1=CC=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017862	0	42	0.0	-22.40	334.72	8.56	-13.84
CCCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012017863	0	49	0.0	-27.61	389.00	9.29	-18.32
CCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012017864	0	46	0.0	-27.66	367.50	8.51	-19.15
C=CCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012017865	0	44	0.0	-28.94	358.91	8.29	-20.65
CCCCCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012017866	0	55	0.0	-27.55	431.99	10.85	-16.70
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1)C(=O)[O-]	REAL300012017867	1	39	0.0	-25.85	344.58	10.07	-15.78
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1)C(=O)[O-]	REAL300012017868	0	39	0.0	-25.93	343.33	10.07	-15.86
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1)C(=O)[O-]	REAL300012017869	1	39	0.0	-25.73	349.16	10.15	-15.58
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C(=O)[O-]	REAL300012017870	0	39	0.0	-25.05	350.82	10.92	-14.13
CC(F)(F)CC([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012017871	0	42	0.0	-31.74	351.85	9.32	-22.42
CCC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C2=CC=CC=C2O1	REAL300012017872	0	41	0.0	-22.79	330.51	9.54	-13.25
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1)C(=O)[O-]	REAL300012017873	0	41	0.0	-32.51	351.94	10.83	-21.68
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012017874	0	51	0.0	-31.59	408.94	8.72	-22.87
CC(F)(F)CC([NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300012017875	0	38	0.0	-24.77	338.86	8.51	-16.26
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300012017876	0	36	0.0	-23.34	312.06	7.50	-15.84
CC(F)(F)CC([NH2+]CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012017877	0	36	0.0	-28.21	323.88	9.11	-19.10
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012017878	0	39	0.0	-24.43	325.40	5.29	-19.14
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(Cl)=C1	REAL300012017879	0	36	0.0	-27.68	308.94	7.37	-20.31
CC(F)(F)CC([NH2+]CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300012017880	0	36	0.0	-26.96	311.40	7.39	-19.57
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1)C(=O)[O-]	REAL300012017881	0	41	0.0	-30.53	363.64	11.10	-19.43
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C(=O)[O-]	REAL300012017882	0	41	0.0	-30.70	361.80	11.06	-19.64
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300012017883	0	39	0.0	-26.04	329.16	7.55	-18.49
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012017884	0	42	0.0	-28.31	344.48	8.15	-20.16
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CC=CS1)C(=O)[O-]	REAL300012017885	0	36	0.0	-28.08	302.75	6.54	-21.54
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012017886	0	43	0.0	-30.67	352.55	6.77	-23.90
CCOC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012017887	0	51	0.0	-23.63	399.67	8.14	-15.49
CC1=CC=C(C2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])O2)C=C1	REAL300012017888	1	42	0.0	-25.51	349.26	10.21	-15.30
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])O1	REAL300012017889	0	39	0.0	-29.51	322.11	7.12	-22.39
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CC=CN=C1)C(=O)[O-]	REAL300012017890	0	38	0.0	-26.68	316.36	5.66	-21.02
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300012017891	0	45	0.0	-31.87	366.93	6.63	-25.24
CC(F)(F)CC([NH2+]CC1=CC=C(OCC2CCCO2)C=C1)C(=O)[O-]	REAL300012017892	0	47	0.0	-29.25	373.72	8.20	-21.05
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300012017893	0	39	0.0	-26.21	341.86	10.50	-15.71
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1)C(=O)[O-]	REAL300012017894	0	45	0.0	-24.50	368.08	9.23	-15.27
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017895	0	41	0.0	-25.26	338.48	6.68	-18.58
CC(F)(F)CC([NH2+]CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300012017896	0	39	0.0	-30.03	325.84	8.85	-21.18
CC(F)(F)CC([NH2+]CC1=CC=C(N2C=NC=N2)C=C1)C(=O)[O-]	REAL300012017897	0	38	0.0	-31.67	320.78	10.17	-21.50
CC(C)N1N=CC2=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C(Cl)N=C21	REAL300012017898	0	43	0.0	-30.69	361.82	8.62	-22.07
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300012017899	0	39	0.0	-25.26	350.91	10.93	-14.33
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012017900	0	49	0.0	-32.03	400.79	8.99	-23.04
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC=C2F)S1)C(=O)[O-]	REAL300012017901	0	39	0.0	-26.57	344.67	10.60	-15.97
CC(F)(F)CC([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300012017902	0	35	0.0	-24.45	318.18	9.14	-15.31
CC(F)(F)CC([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300012017903	0	35	0.0	-28.55	311.81	8.70	-19.85
CC(F)(F)CC([NH2+]CC1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300012017904	0	32	0.0	-24.06	293.42	8.50	-15.56
CC(F)(F)CC([NH2+]CC1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300012017905	0	35	0.0	-29.39	301.20	8.74	-20.65
CC(F)(F)CC([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012017906	0	35	0.0	-27.80	311.38	8.68	-19.12
CC(F)(F)CC([NH2+]CC1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300012017907	0	35	0.0	-25.00	309.49	8.66	-16.34
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(Cl)=C1OC	REAL300012017908	0	40	0.0	-24.25	340.01	7.37	-16.88
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017909	0	48	0.0	-26.54	402.81	10.93	-15.61
CC(F)(F)CC([NH2+]CC1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300012017910	0	36	0.0	-26.15	322.25	7.81	-18.34
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300012017911	0	39	0.0	-28.39	349.98	10.88	-17.51
CC(F)(F)CC([NH2+]CC1=CC=CC(OCC2=CC=CC(C#N)=C2)=C1)C(=O)[O-]	REAL300012017912	0	47	0.0	-31.01	399.61	11.31	-19.70
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300012017913	0	42	0.0	-29.24	349.64	6.17	-23.07
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012017914	0	43	0.0	-32.73	367.66	8.22	-24.51
CC(F)(F)CC([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300012017915	0	45	0.0	-29.82	373.63	9.16	-20.66
CC(F)(F)CC([NH2+]CC1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300012017916	0	38	0.0	-28.22	331.10	7.44	-20.78
CC(F)(F)CC([NH2+]CC1=CC(Br)=C2OCCCOC2=C1)C(=O)[O-]	REAL300012017917	0	41	0.0	-28.48	349.54	8.21	-20.27
CC(F)(F)CC([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C(=O)[O-]	REAL300012017918	0	42	0.0	-31.24	367.01	9.81	-21.43
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017919	0	41	0.0	-25.28	347.59	7.58	-17.70
COCCOC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012017920	0	43	0.0	-26.55	350.38	7.09	-19.46
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1Cl	REAL300012017921	0	36	0.0	-26.29	310.93	7.44	-18.85
CC(F)(F)CC([NH2+]CC1=CSC(C2=CC=CC=N2)=N1)C(=O)[O-]	REAL300012017922	0	37	0.0	-26.77	326.51	6.54	-20.23
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=N1	REAL300012017924	0	48	0.0	-35.90	385.63	7.58	-28.32
CC(F)(F)CC([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C(=O)[O-]	REAL300012017925	0	39	0.0	-27.88	338.42	8.33	-19.55
CC(F)(F)CC([NH2+]CC1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300012017926	0	38	0.0	-24.17	308.32	6.80	-17.37
CC(F)(F)CC([NH2+]CC1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300012017927	0	41	0.0	-30.18	326.07	7.65	-22.53
CCCOC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012017929	0	42	0.0	-24.48	338.25	8.62	-15.86
CC(F)(F)CC([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300012017930	0	39	0.0	-25.34	332.29	10.20	-15.14
CC(F)(F)CC([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C(=O)[O-]	REAL300012017931	0	46	0.0	-28.12	362.16	9.88	-18.24
CC(C)OC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012017932	0	42	0.0	-25.50	337.46	8.54	-16.96
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012017933	0	45	0.0	-31.91	370.76	10.06	-21.85
CC(F)(F)CC([NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C(=O)[O-]	REAL300012017935	0	46	0.0	-27.24	382.47	11.09	-16.15
CC(F)(F)CC([NH2+]CC1=CSC(COC2=CC=CC=C2)=N1)C(=O)[O-]	REAL300012017936	0	42	0.0	-24.99	362.68	7.94	-17.05
CC(F)(F)CC([NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)C(=O)[O-]	REAL300012017937	0	41	0.0	-24.69	369.79	9.41	-15.28
CC(F)(F)CC([NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300012017938	0	42	0.0	-25.87	380.78	8.47	-17.40
CC1=CC=C(OCC2=NC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CS2)C=C1	REAL300012017939	0	45	0.0	-25.64	385.45	8.63	-17.01
COC1=CC=C(OCC2=NC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CS2)C=C1	REAL300012017940	0	46	0.0	-26.96	393.54	7.25	-19.71
CC(F)(F)CC([NH2+]CC1=CSC(C2=CSC=C2)=N1)C(=O)[O-]	REAL300012017942	0	35	0.0	-24.03	323.49	7.38	-16.65
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300012017943	0	39	0.0	-29.37	339.66	10.44	-18.93
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017944	0	46	0.0	-31.41	373.46	8.50	-22.91
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OC1CCCC1)C(=O)[O-]	REAL300012017945	0	46	0.0	-22.34	359.81	9.88	-12.46
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012017946	0	49	0.0	-25.53	393.93	8.39	-17.14
CC1=CC=C(C2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])S2)C=C1	REAL300012017947	0	42	0.0	-25.36	356.86	11.12	-14.24
COC1=CC(OC2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2)=CC(OC)=C1	REAL300012017948	0	51	0.0	-30.51	415.71	9.13	-21.38
CC(F)(F)CC([NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F)C(=O)[O-]	REAL300012017949	0	38	0.0	-28.51	332.35	7.91	-20.60
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017950	0	36	0.0	-23.57	329.84	8.08	-15.49
CC(F)(F)CC([NH2+]CC1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300012017951	0	32	0.0	-24.68	300.78	8.70	-15.98
CC(F)(F)CC([NH2+]CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300012017952	0	32	0.0	-23.32	295.39	8.56	-14.76
CC(F)(F)CC([NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)C(=O)[O-]	REAL300012017953	0	43	0.0	-27.77	368.90	10.63	-17.14
CCOC1=C(OC)C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012017954	0	47	0.0	-29.80	380.01	7.68	-22.12
COCCCOC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012017955	0	46	0.0	-27.22	374.02	7.74	-19.48
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012017956	0	40	0.0	-26.75	334.98	6.56	-20.19
CC(F)(F)CC([NH2+]CC1=CC=CC(Br)=C1OC(F)F)C(=O)[O-]	REAL300012017957	0	36	0.0	-27.74	323.39	7.87	-19.87
CC(F)(F)CC([NH2+]CC1=C(Cl)C=CC=C1OC(F)F)C(=O)[O-]	REAL300012017958	0	36	0.0	-25.59	319.60	7.70	-17.89
CC(F)(F)CC([NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012017959	0	52	0.0	-26.19	419.66	12.42	-13.77
CC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012017960	0	45	0.0	-28.81	368.13	9.27	-19.54
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1)C(=O)[O-]	REAL300012017961	0	50	0.0	-29.93	407.07	8.87	-21.06
CC1=CC=C(C2=NC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])S2)C=C1	REAL300012017962	0	41	0.0	-26.79	351.82	9.29	-17.50
CC(F)(F)CC([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012017963	0	37	0.0	-25.05	323.93	8.69	-16.36
CC(F)(F)CC([NH2+]CC1=CC=C(F)C2=CC=CN=C12)C(=O)[O-]	REAL300012017964	0	37	0.0	-29.26	312.99	8.22	-21.04
CC(F)(F)CC([NH2+]CC1=CC(F)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012017965	0	37	0.0	-24.84	312.42	8.22	-16.62
CC(F)(F)CC([NH2+]CC1=CC=C(Cl)C2=CC=CN=C12)C(=O)[O-]	REAL300012017966	0	37	0.0	-27.98	320.48	8.57	-19.41
CC(F)(F)CC([NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)C(=O)[O-]	REAL300012017967	0	39	0.0	-27.06	340.98	9.67	-17.39
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])O1	REAL300012017968	1	42	0.0	-25.30	353.44	10.25	-15.05
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])O2)C=C1	REAL300012017969	1	45	0.0	-24.74	369.37	10.94	-13.80
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(OC(F)F)=C1	REAL300012017970	0	40	0.0	-29.77	334.98	6.57	-23.20
COC1=CC=C2OC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC2=C1	REAL300012017971	0	39	0.0	-27.31	324.96	7.48	-19.83
CC(F)(F)CC([NH2+]CC=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012017972	0	36	0.0	-28.66	315.26	9.46	-19.20
CC(F)(F)CC([NH2+]CC1=CC=C(OC2=CC=CC=C2)O1)C(=O)[O-]	REAL300012017973	0	40	0.0	-26.21	334.07	9.38	-16.83
CC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1Br	REAL300012017974	0	35	0.0	-26.68	304.90	8.78	-17.90
CC(F)(F)CC([NH2+]CC=CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012017975	0	36	0.0	-31.92	309.20	9.02	-22.90
CC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1Br	REAL300012017976	0	35	0.0	-25.53	304.90	8.78	-16.75
CC(F)(F)CC([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012017977	0	39	0.0	-26.36	326.50	8.77	-17.59
CC(F)(F)CC([NH2+]CC1=CC(Cl)=CC2=C1OCC2)C(=O)[O-]	REAL300012017978	0	37	0.0	-27.04	320.11	8.00	-19.04
CC(F)(F)CC([NH2+]CC1=CC2=C(F)C=CC=C2N1)C(=O)[O-]	REAL300012017979	0	36	0.0	-27.02	304.64	7.63	-19.39
CC(F)(F)CC([NH2+]CC1=CC2=CC=C(F)C=C2N1)C(=O)[O-]	REAL300012017980	0	36	0.0	-28.08	305.90	7.67	-20.41
CC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC2=CC=CN=C12	REAL300012017981	0	40	0.0	-28.82	328.85	8.85	-19.97
CC(F)(F)CC([NH2+]CC1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300012017982	0	34	0.0	-28.69	299.36	7.13	-21.56
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])O2)C=C1	REAL300012017983	1	51	0.0	-25.14	403.97	11.86	-13.28
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017984	0	52	0.0	-24.92	401.18	10.95	-13.97
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017985	0	52	0.0	-24.41	408.72	10.79	-13.62
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2C)=C1	REAL300012017986	0	55	0.0	-27.13	443.01	13.19	-13.94
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1C	REAL300012017987	0	55	0.0	-27.50	439.15	13.25	-14.25
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012017988	0	50	0.0	-27.26	402.53	12.46	-14.80
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017989	0	48	0.0	-26.16	403.29	10.69	-15.47
CCN(CC)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1F	REAL300012017990	0	46	0.0	-26.72	368.16	8.82	-17.90
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C(SC)C=C1OC	REAL300012017991	0	44	0.0	-26.04	361.84	7.78	-18.26
COC1=CC=C2N=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])SC2=C1	REAL300012017992	1	38	0.0	-26.43	329.14	6.46	-19.97
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017993	0	38	0.0	-30.42	328.54	8.45	-21.97
CC(F)(F)CC([NH2+]CC1=CC=C(SC(F)F)C=C1)C(=O)[O-]	REAL300012017994	0	36	0.0	-27.77	315.22	8.86	-18.91
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017995	0	38	0.0	-23.98	314.28	9.14	-14.84
CC(F)(F)CC([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300012017996	0	36	0.0	-30.92	312.97	7.28	-23.64
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012017997	0	38	0.0	-25.43	316.38	9.13	-16.30
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC(Cl)=C1OC	REAL300012017998	0	40	0.0	-29.54	344.95	7.45	-22.09
CC(F)(F)CC([NH2+]CC1=CC(Br)=CC=C1OC(F)F)C(=O)[O-]	REAL300012017999	0	36	0.0	-26.00	326.81	7.91	-18.09
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018000	0	48	0.0	-24.76	407.81	10.81	-13.95
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OCC(C)C	REAL300012018001	0	49	0.0	-28.23	387.61	9.19	-19.04
CCCOC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OC	REAL300012018002	0	46	0.0	-28.45	367.50	8.51	-19.94
CC(F)(F)CC([NH2+]CC1=CC=C(Br)S1)C(=O)[O-]	REAL300012018003	0	29	0.0	-26.32	277.30	7.43	-18.89
CCOC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC(Cl)=C1OC	REAL300012018004	0	43	0.0	-29.87	368.17	8.42	-21.45
COC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1OC(C)C	REAL300012018005	0	46	0.0	-22.83	363.41	8.61	-14.22
CCOC1=C(Cl)C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012018006	0	43	0.0	-29.98	368.17	8.45	-21.53
CCCOC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=CC=C1OCC	REAL300012018007	0	49	0.0	-25.33	389.60	9.59	-15.74
CCCCOC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OC	REAL300012018008	0	49	0.0	-28.28	389.00	9.29	-18.99
CCCOC1=C(Cl)C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OCC	REAL300012018009	0	49	0.0	-29.01	410.16	10.13	-18.88
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018010	0	48	0.0	-26.37	400.86	11.25	-15.12
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC(F)F	REAL300012018011	0	40	0.0	-32.43	335.99	7.12	-25.31
CCOC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OC(F)F	REAL300012018012	0	43	0.0	-29.46	357.84	8.03	-21.43
CC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012018013	0	42	0.0	-28.11	343.56	8.61	-19.50
CCOC1=CC2=C(C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-])OC(C)C2	REAL300012018014	0	47	0.0	-26.30	374.56	8.53	-17.77
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC2=C1OCCO2	REAL300012018015	0	42	0.0	-29.15	339.94	6.64	-22.51
CC(F)(F)CC([NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1)C(=O)[O-]	REAL300012018016	1	41	0.0	-29.38	362.09	9.09	-20.29
CCCCN1N=C(C)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1Cl	REAL300012018017	0	44	0.0	-22.76	368.36	8.64	-14.12
CCOC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1OC(F)F	REAL300012018018	0	43	0.0	-28.50	355.51	8.23	-20.27
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1)C(=O)[O-]	REAL300012018019	0	50	0.0	-30.22	399.68	9.75	-20.47
CC(F)(F)CC([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012018020	0	52	0.0	-28.44	424.80	12.55	-15.89
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012018021	0	39	0.0	-24.80	334.09	10.40	-14.40
CCCOC1=C(Cl)C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012018022	0	46	0.0	-29.27	388.30	9.21	-20.06
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018023	0	54	0.0	-25.77	416.44	11.63	-14.14
CC(C)(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018024	0	51	0.0	-24.54	410.67	11.38	-13.16
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018025	0	51	0.0	-23.02	424.49	11.34	-11.68
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1)C(=O)[O-]	REAL300012018026	0	39	0.0	-29.34	341.20	9.69	-19.65
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018027	0	55	0.0	-26.46	436.50	10.13	-16.33
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012018028	0	48	0.0	-28.39	373.71	9.17	-19.22
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018029	0	51	0.0	-28.46	403.54	11.72	-16.74
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018031	0	38	0.0	-21.26	313.64	9.17	-12.09
CC1=C(C)C=C2OC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC2=C1	REAL300012018032	1	41	0.0	-25.72	333.79	9.38	-16.34
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012018033	0	39	0.0	-26.15	340.85	8.05	-18.10
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OCC1=C(C)ON=C1C	REAL300012018034	0	52	0.0	-32.09	423.19	9.54	-22.55
CC(F)(F)CC([NH2+]CC1=CC=C(N2C=CN=C2)C=C1)C(=O)[O-]	REAL300012018035	0	39	0.0	-30.77	321.35	9.98	-20.79
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC=C2F)O1)C(=O)[O-]	REAL300012018036	0	39	0.0	-26.93	334.90	9.62	-17.31
CC(F)(F)CC([NH2+]CC1=CC(Cl)=C2OCCOC2=C1)C(=O)[O-]	REAL300012018037	0	38	0.0	-29.05	328.08	7.35	-21.70
CCCCC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C2=CC=CC=C2O1	REAL300012018038	0	47	0.0	-22.50	373.51	11.09	-11.41
CC(F)(F)CC([NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300012018039	0	45	0.0	-32.38	372.29	12.26	-20.12
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012018040	0	47	0.0	-31.16	398.23	9.88	-21.28
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018041	0	45	0.0	-27.46	369.28	9.77	-17.69
CC(F)(F)CC([NH2+]CC1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300012018042	0	41	0.0	-29.24	346.51	8.14	-21.10
CC(F)(F)CC([NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C(=O)[O-]	REAL300012018043	0	46	0.0	-26.74	391.92	11.51	-15.23
CC(F)(F)CC([NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300012018044	0	41	0.0	-28.23	317.60	8.63	-19.60
CC(F)(F)CC([NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300012018045	0	39	0.0	-33.97	342.55	8.36	-25.61
CC(F)(F)CC([NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1)C(=O)[O-]	REAL300012018046	0	38	0.0	-36.33	341.95	8.19	-28.14
CC(F)(F)CC([NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1)C(=O)[O-]	REAL300012018047	0	38	0.0	-33.51	340.89	7.99	-25.52
CCSC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018048	0	39	0.0	-24.31	327.08	9.45	-14.86
CC(F)(F)CC([NH2+]CC1=C(O)C=CC(Cl)=C1F)C(=O)[O-]	REAL300012018049	1	33	0.0	-23.74	297.41	5.35	-18.39
CCN1N=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C2=CC=CC=C21	REAL300012018050	0	41	0.0	-25.22	339.37	8.44	-16.78
COCCC1(C[NH2+]C(CC(C)(F)F)C(=O)[O-])CCCCC1	REAL300012018051	0	48	0.0	-24.34	341.11	7.71	-16.63
CC(F)(F)CC([NH2+]CC1=CC(Br)=C(Cl)S1)C(=O)[O-]	REAL300012018052	0	29	0.0	-25.55	293.13	7.90	-17.65
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012018053	0	49	0.0	-32.26	403.03	12.59	-19.67
CCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018054	0	42	0.0	-26.11	338.25	8.62	-17.49
COC1=CC=C(C2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012018055	0	45	0.0	-32.15	380.02	10.08	-22.07
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1)C(=O)[O-]	REAL300012018056	1	39	0.0	-26.80	359.74	10.50	-16.30
CC(F)(F)CC([NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012018057	0	45	0.0	-39.77	388.60	11.86	-27.91
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018058	0	45	0.0	-24.74	386.34	10.14	-14.60
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018059	0	42	0.0	-26.91	376.48	10.12	-16.79
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC=C2)O1)C(=O)[O-]	REAL300012018060	1	39	0.0	-25.07	326.50	9.50	-15.57
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OC(C)C	REAL300012018061	0	46	0.0	-28.66	366.67	8.42	-20.24
CCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OCC	REAL300012018062	0	49	0.0	-29.31	391.44	9.48	-19.83
CC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012018063	0	37	0.0	-29.50	311.44	8.84	-20.66
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018064	0	45	0.0	-26.04	392.81	10.20	-15.84
CC(C)OC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018065	0	42	0.0	-26.64	337.43	8.54	-18.10
CCCCCCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018066	0	54	0.0	-26.05	424.25	11.74	-14.31
CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012018067	0	53	0.0	-25.95	398.36	11.94	-14.01
CC(F)(F)CC([NH2+]CC1=C(Br)C=CS1)C(=O)[O-]	REAL300012018068	0	29	0.0	-22.00	275.08	7.23	-14.77
CC(F)(F)CC([NH2+]CC1=CC=CC=C1N1CCOCC1)C(=O)[O-]	REAL300012018069	0	45	0.0	-25.10	352.10	7.17	-17.93
CC(F)(F)CC([NH2+]CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300012018070	0	32	0.0	-23.71	285.04	8.11	-15.60
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C2)C=C1	REAL300012018071	0	45	0.0	-27.16	361.86	11.70	-15.46
COC1=CC=C(Br)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018072	0	36	0.0	-23.18	311.13	7.50	-15.68
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012018073	0	38	0.0	-38.40	320.93	8.33	-30.07
CC(F)(F)CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012018074	0	32	0.0	-26.51	300.94	8.66	-17.85
CC(F)(F)CC([NH2+]CC1=CC(Br)=CO1)C(=O)[O-]	REAL300012018075	0	29	0.0	-27.47	269.95	6.41	-21.06
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018076	0	45	0.0	-26.11	363.55	11.72	-14.39
CC(F)(F)CC([NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012018077	0	38	0.0	-28.18	344.05	9.62	-18.56
CC(F)(F)CC([NH2+]CC1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300012018078	0	36	0.0	-27.17	304.66	7.17	-20.00
CCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OCC	REAL300012018079	0	46	0.0	-28.49	367.86	8.63	-19.86
CC(F)(F)CC([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300012018080	0	35	0.0	-26.77	317.30	9.00	-17.77
CC(F)(F)CC([NH2+]CC1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300012018081	0	32	0.0	-25.66	285.05	8.12	-17.54
CC(F)(F)CC([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300012018082	0	36	0.0	-25.15	311.40	7.39	-17.76
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018083	0	46	0.0	-28.64	375.69	10.70	-17.94
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)C(=O)[O-]	REAL300012018084	1	42	0.0	-27.19	366.90	10.55	-16.64
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C2=CC=CC=C12	REAL300012018085	0	42	0.0	-25.84	336.81	9.14	-16.70
CC(F)(F)CC([NH2+]CC1=C(C2=CC=CC=C2)C=NN1)C(=O)[O-]	REAL300012018086	0	39	0.0	-26.30	325.57	7.57	-18.73
CC(F)(F)CC([NH2+]CC1=NNC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012018086	1	39	0.0	-26.53	324.88	7.57	-18.96
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(Br)=C1O	REAL300012018087	0	37	0.0	-24.22	321.00	5.30	-18.92
CC(F)(F)CC([NH2+]CC1=CSC(Br)=C1)C(=O)[O-]	REAL300012018088	0	29	0.0	-27.46	279.27	7.33	-20.13
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012018089	0	49	0.0	-32.45	402.84	9.02	-23.43
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1)C(=O)[O-]	REAL300012018090	0	39	0.0	-26.59	367.34	11.40	-15.19
CC(F)(F)CC([NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1)C(=O)[O-]	REAL300012018091	0	45	0.0	-29.86	389.08	9.72	-20.14
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012018092	0	50	0.0	-29.30	394.94	10.49	-18.81
CC(F)(F)CC([NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012018093	0	42	0.0	-27.16	340.46	11.02	-16.14
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1)C(=O)[O-]	REAL300012018094	0	45	0.0	-27.64	372.17	9.21	-18.43
CC(F)(F)CC([NH2+]CC1=CC=C(N2CCCC2)N=C1)C(=O)[O-]	REAL300012018095	0	43	0.0	-26.45	340.18	7.53	-18.92
CC(F)(F)CC([NH2+]CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300012018096	0	32	0.0	-27.39	294.50	8.31	-19.08
CC(F)(F)CC([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012018097	0	41	0.0	-26.45	337.97	9.50	-16.95
CC(F)(F)CC([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C(=O)[O-]	REAL300012018098	0	41	0.0	-28.47	336.72	9.28	-19.19
CC(F)(F)CC([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C(=O)[O-]	REAL300012018099	0	41	0.0	-29.06	337.03	9.30	-19.76
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018100	0	47	0.0	-26.98	358.67	8.10	-18.88
CN1CCN(C2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2)CC1	REAL300012018101	1	49	0.0	-26.06	375.46	6.32	-19.74
CC(F)(F)CC([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C(=O)[O-]	REAL300012018102	0	41	0.0	-30.18	348.68	6.14	-24.04
CNC(=O)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018103	0	39	0.0	-34.03	321.87	5.87	-28.16
CC(F)(F)CC([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300012018104	0	39	0.0	-31.62	332.85	8.93	-22.69
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018105	0	45	0.0	-27.08	379.60	10.22	-16.86
CC(F)(F)CC([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300012018106	0	39	0.0	-31.05	343.17	9.39	-21.66
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018107	0	45	0.0	-28.20	375.88	9.93	-18.27
CC(F)(F)CC([NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1)C(=O)[O-]	REAL300012018108	0	39	0.0	-26.44	370.11	9.54	-16.90
CC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012018109	0	51	0.0	-28.89	413.45	10.74	-18.15
CC(F)(F)CC([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300012018110	0	39	0.0	-27.77	336.33	8.28	-19.49
CCOC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012018111	0	53	0.0	-29.88	427.76	11.68	-18.20
COC1=C2OC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC2=CC=C1	REAL300012018112	0	39	0.0	-26.91	323.62	7.43	-19.48
CC(C)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012018113	0	43	0.0	-28.95	349.89	9.78	-19.17
CC(F)(F)CC([NH2+]CC1=CC(Br)=C2OCOC2=C1)C(=O)[O-]	REAL300012018114	0	35	0.0	-29.44	314.85	6.92	-22.52
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018115	0	48	0.0	-25.67	386.56	10.17	-15.50
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018116	0	48	0.0	-30.16	397.64	10.49	-19.67
CCOC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OCC(C)C	REAL300012018117	0	52	0.0	-29.13	411.54	10.15	-18.98
CC(F)(F)CC([NH2+]CC1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300012018118	0	32	0.0	-26.41	293.10	8.26	-18.15
COC1=CC(Br)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012018119	0	40	0.0	-25.93	335.61	7.27	-18.66
CC(F)(F)CC([NH2+]CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300012018120	0	32	0.0	-29.28	294.48	8.29	-20.99
COC1=CC(OC)=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018121	0	40	0.0	-27.26	325.26	6.23	-21.03
COC1=CC2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2C=C1	REAL300012018122	0	42	0.0	-28.15	343.07	9.21	-18.94
CC(F)(F)CC([NH2+]CC1=CC(Br)=CS1)C(=O)[O-]	REAL300012018124	0	29	0.0	-25.61	279.31	7.38	-18.23
CCCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OCC	REAL300012018125	0	52	0.0	-27.41	410.85	10.21	-17.20
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018126	0	45	0.0	-28.52	360.75	9.65	-18.87
COC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1OC(F)F	REAL300012018127	0	40	0.0	-26.63	334.34	7.21	-19.42
CC(F)(F)CC([NH2+]CC1=CC=C(CSC(F)F)O1)C(=O)[O-]	REAL300012018128	1	36	0.0	-25.87	326.78	8.19	-17.68
CC(F)(F)CC([NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1)C(=O)[O-]	REAL300012018129	0	52	0.0	-23.28	402.00	10.79	-12.49
CC(F)(F)CC([NH2+]CC1=CC2=CC=CC=C2NC1=O)C(=O)[O-]	REAL300012018130	0	38	0.0	-36.30	315.75	6.64	-29.66
CC(F)(F)CC([NH2+]CC1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300012018132	0	32	0.0	-27.24	294.49	8.30	-18.94
CC1=CC=C(COC2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2)C=C1	REAL300012018133	0	49	0.0	-28.00	400.17	11.59	-16.41
CC(F)(F)CC([NH2+]CC1=CC=C(N2CCCCC2)C=C1)C(=O)[O-]	REAL300012018134	0	47	0.0	-25.51	359.18	8.90	-16.61
CCCCCCOC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018135	0	51	0.0	-25.50	404.84	11.02	-14.48
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1SC	REAL300012018136	0	40	0.0	-28.49	336.40	7.98	-20.51
CC(F)(F)CC([NH2+]CC1=CC=CC(OCCCC#N)=C1)C(=O)[O-]	REAL300012018137	0	43	0.0	-32.12	359.12	9.14	-22.98
CCCCCOC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OC	REAL300012018138	0	52	0.0	-28.23	410.50	10.07	-18.16
CCC(C)OC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OC	REAL300012018139	0	49	0.0	-29.00	388.08	9.22	-19.78
CCCCCCCOC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018140	0	54	0.0	-24.39	424.25	11.74	-12.65
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OCCCC#N	REAL300012018141	0	47	0.0	-33.72	388.36	9.03	-24.69
C=C(C)COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OC	REAL300012018142	0	47	0.0	-28.67	377.99	9.05	-19.62
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OCCC(C)C	REAL300012018143	0	52	0.0	-28.17	406.57	9.81	-18.36
C=CCC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC(OC)=C1O	REAL300012018144	0	44	0.0	-28.21	362.48	6.80	-21.41
CC(F)(F)CC([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C(=O)[O-]	REAL300012018145	0	39	0.0	-29.15	327.01	7.57	-21.58
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018146	0	41	0.0	-29.68	345.82	8.61	-21.07
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018147	0	42	0.0	-25.00	362.79	6.11	-18.89
CCOC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012018148	0	46	0.0	-32.51	389.51	9.14	-23.37
CC(F)(F)CC([NH2+]CC1=CN(C2=CC=CC=C2)N=N1)C(=O)[O-]	REAL300012018149	0	38	0.0	-35.44	320.39	7.47	-27.97
CC(F)(F)CC([NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1)C(=O)[O-]	REAL300012018151	0	45	0.0	-30.68	354.68	6.45	-24.23
C=CCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1Cl	REAL300012018152	0	40	0.0	-30.19	347.78	9.01	-21.18
CC(F)(F)CC([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012018153	0	38	0.0	-26.95	330.43	8.62	-18.33
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012018154	0	44	0.0	-27.73	352.68	7.49	-20.24
CC(F)(F)CC([NH2+]CC1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300012018155	0	43	0.0	-27.44	343.66	8.86	-18.58
CC(F)(F)CC([NH2+]CC1=CSC(C2=CC=CS2)=N1)C(=O)[O-]	REAL300012018157	0	35	0.0	-23.87	322.72	7.44	-16.43
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018158	0	42	0.0	-24.91	342.88	8.09	-16.82
CC(F)(F)CC([NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012018159	0	35	0.0	-27.41	321.71	9.11	-18.30
CC(F)(F)CC([NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012018160	0	35	0.0	-27.94	327.63	9.26	-18.68
CC(F)(F)CC([NH2+]CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300012018161	0	32	0.0	-26.63	300.77	8.70	-17.93
CC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(Br)=C1	REAL300012018162	0	35	0.0	-24.43	300.08	8.71	-15.72
CC(C)COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018163	0	45	0.0	-25.95	358.36	9.32	-16.63
COCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018164	0	43	0.0	-29.38	352.47	7.13	-22.25
CC(C)(C)N1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2=CC=CC=C2Cl)=N1	REAL300012018165	0	51	0.0	-25.40	421.55	11.36	-14.04
CC(F)(F)CC([NH2+]CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1)C(=O)[O-]	REAL300012018166	0	47	0.0	-28.64	394.18	11.29	-17.35
CC(F)(F)CC([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300012018167	0	36	0.0	-29.83	322.77	7.77	-22.06
CC(F)(F)CC([NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)C(=O)[O-]	REAL300012018168	0	40	0.0	-29.15	360.66	9.11	-20.04
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1Cl	REAL300012018169	0	42	0.0	-22.58	358.02	8.98	-13.60
COC1=CC2=C(C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-])OCO2	REAL300012018170	0	39	0.0	-27.44	320.40	5.63	-21.81
CC(C)COC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018171	0	45	0.0	-25.37	360.45	9.37	-16.00
CC(F)(F)CC([NH2+]CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012018172	0	31	0.0	-27.20	283.66	6.47	-20.73
CC(F)(F)CC([NH2+]CC1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300012018173	0	43	0.0	-28.03	343.55	8.83	-19.20
CC(F)(F)CC([NH2+]CC1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300012018174	0	37	0.0	-26.88	324.68	8.11	-18.77
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012018175	0	42	0.0	-27.56	343.39	8.67	-18.89
CC(F)(F)CC([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C(=O)[O-]	REAL300012018176	0	39	0.0	-34.18	325.97	8.85	-25.33
CC1=C(Br)SC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018177	0	32	0.0	-27.25	298.98	8.08	-19.17
CC(F)(F)CC([NH2+]CC1=CC=C(Br)C2=CC=CN=C12)C(=O)[O-]	REAL300012018178	0	37	0.0	-28.76	325.91	8.69	-20.07
CC1=NC2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2C=C1	REAL300012018179	0	40	0.0	-30.58	328.95	8.59	-21.99
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2)C=C1	REAL300012018180	0	47	0.0	-29.14	385.59	9.77	-19.37
CC(F)(F)CC([NH2+]CC1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300012018181	0	34	0.0	-25.06	288.47	6.63	-18.43
CC1=CC(C2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2)=CC(C)=C1	REAL300012018182	0	48	0.0	-26.47	382.42	12.33	-14.14
CC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012018183	0	41	0.0	-32.33	339.22	11.10	-21.23
CC(F)(F)CC([NH2+]CC1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300012018184	0	35	0.0	-25.78	300.54	8.21	-17.57
CC(F)(F)CC([NH2+]CC1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300012018185	0	39	0.0	-32.44	331.86	8.18	-24.26
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018186	0	42	0.0	-28.93	360.63	9.90	-19.03
CC(F)(F)CC([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300012018187	0	46	0.0	-27.83	385.17	11.00	-16.83
CCCCOC1=CC=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018188	0	45	0.0	-22.46	358.35	9.46	-13.00
CC(F)(F)CC([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012018189	0	43	0.0	-28.42	368.06	11.74	-16.68
CC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012018190	0	42	0.0	-24.48	342.38	8.45	-16.03
COC1=CC(C)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012018191	0	43	0.0	-27.39	338.94	7.40	-19.99
CC(F)(F)CC([NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1)C(=O)[O-]	REAL300012018192	0	38	0.0	-23.95	357.43	9.80	-14.15
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018193	0	38	0.0	-33.14	330.71	8.50	-24.64
CC(F)(F)CC([NH2+]CC1=C(Cl)C=CC=C1S(C)(=O)=O)C(=O)[O-]	REAL300012018194	1	38	0.0	-27.11	328.52	5.74	-21.37
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018195	0	41	0.0	-33.11	350.19	7.09	-26.02
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CSC=C1)C(=O)[O-]	REAL300012018196	0	36	0.0	-27.92	312.96	6.48	-21.44
CC(C)SC1=CC(Br)=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018197	0	42	0.0	-25.30	360.62	10.54	-14.76
CSC1=CC(Br)=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018198	0	36	0.0	-24.90	320.45	9.07	-15.83
CC(F)(F)CC([NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300012018199	0	42	0.0	-29.85	358.27	9.39	-20.46
CC(C)(C)C1CCC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])CC1	REAL300012018201	0	50	0.0	-25.67	357.40	9.97	-15.70
CC(F)(F)CC([NH2+]CC1=CC=C(OC(F)F)C(Br)=C1)C(=O)[O-]	REAL300012018202	0	36	0.0	-28.75	325.07	7.83	-20.92
CC(F)(F)CC([NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1)C(=O)[O-]	REAL300012018203	0	45	0.0	-33.27	389.22	10.29	-22.98
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018204	0	46	0.0	-27.53	368.57	10.39	-17.14
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018205	0	46	0.0	-27.50	369.88	10.42	-17.08
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018206	0	45	0.0	-29.99	365.07	8.67	-21.32
CC(F)(F)CC([NH2+]CC1=CC=C(OCC2CC2)C=C1)C(=O)[O-]	REAL300012018207	0	43	0.0	-26.72	350.52	9.45	-17.27
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300012018208	0	43	0.0	-23.07	374.58	11.00	-12.07
COC1=CC(Cl)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1Cl	REAL300012018209	0	36	0.0	-24.73	320.45	7.84	-16.89
CC(C)CC1=NC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])S1	REAL300012018210	0	40	0.0	-26.46	333.89	7.60	-18.86
CC(F)(F)CC([NH2+]CC1=CN=C(C2=CC=CS2)S1)C(=O)[O-]	REAL300012018211	0	35	0.0	-25.84	323.14	7.71	-18.13
CC(F)(F)CC([NH2+]CC1=CN=C(C2=CSC=C2)S1)C(=O)[O-]	REAL300012018212	0	35	0.0	-26.00	322.41	7.59	-18.41
CC1=CC=C(C2=NC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])S2)O1	REAL300012018213	0	38	0.0	-27.45	337.32	7.58	-19.87
CC1=CC(Br)=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018214	0	35	0.0	-24.20	298.61	8.72	-15.48
CC(F)(F)CC([NH2+]CC1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300012018215	0	32	0.0	-26.58	303.61	8.72	-17.86
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CC=CC=C1F)C(=O)[O-]	REAL300012018216	0	39	0.0	-26.92	328.24	7.54	-19.38
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)C(=O)[O-]	REAL300012018217	0	41	0.0	-26.08	340.12	9.32	-16.76
CC(F)(F)CC([NH2+]CC1=C(Cl)OC2=CC=CC=C21)C(=O)[O-]	REAL300012018218	0	35	0.0	-24.77	309.52	8.55	-16.22
COCCOC1=CC=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018219	0	43	0.0	-25.53	351.06	7.19	-18.34
CC(F)(F)CC([NH2+]CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300012018220	0	32	0.0	-25.15	295.42	8.56	-16.59
COC1=C(Br)C=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018221	0	36	0.0	-25.21	314.11	7.68	-17.53
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012018222	0	39	0.0	-27.66	324.77	7.78	-19.88
CC(F)(F)CC([NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1)C(=O)[O-]	REAL300012018223	0	46	0.0	-25.40	377.27	10.43	-14.97
COC1=CC(Br)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(OC)=C1	REAL300012018224	0	40	0.0	-22.83	338.80	6.67	-16.16
CC(F)(F)CC([NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1)C(=O)[O-]	REAL300012018225	0	43	0.0	-25.77	369.43	10.94	-14.83
CC(F)(F)CC([NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1)C(=O)[O-]	REAL300012018226	0	47	0.0	-25.60	389.20	8.84	-16.76
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018227	0	51	0.0	-24.99	388.62	11.06	-13.93
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1)C(=O)[O-]	REAL300012018228	1	39	0.0	-26.28	334.26	9.61	-16.67
CC(C)(C)C1=NC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])S1	REAL300012018229	0	40	0.0	-26.32	334.33	7.43	-18.89
CC(F)(F)CC([NH2+]CC1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300012018230	0	38	0.0	-28.89	309.90	6.75	-22.14
CC(F)(F)CC([NH2+]CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012018231	0	32	0.0	-25.38	288.78	8.26	-17.12
CC(F)(F)CC([NH2+]CC1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012018232	0	39	0.0	-30.92	326.29	8.87	-22.05
CC(F)(F)CC([NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1)C(=O)[O-]	REAL300012018233	0	42	0.0	-33.11	364.47	9.79	-23.32
CC(=O)NC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018234	0	39	0.0	-30.05	323.53	6.54	-23.51
CCN(CC)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018235	0	46	0.0	-24.64	360.53	9.90	-14.74
CC(F)(F)CC([NH2+]CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012018236	0	32	0.0	-26.64	288.78	8.27	-18.37
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC(OC)=C1OC	REAL300012018237	0	44	0.0	-30.48	359.52	6.78	-23.70
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300012018238	0	36	0.0	-25.68	305.32	7.28	-18.40
COC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1OC	REAL300012018239	0	40	0.0	-23.85	325.95	6.93	-16.92
CC(F)(F)CC([NH2+]CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300012018240	0	32	0.0	-26.65	296.21	8.60	-18.05
CC(F)(F)CC([NH2+]CC1=CC=C(N2CCOCC2)C=C1)C(=O)[O-]	REAL300012018241	0	45	0.0	-27.34	351.61	6.48	-20.86
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012018242	0	40	0.0	-29.01	326.24	6.83	-22.18
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(OC)=C1	REAL300012018243	0	40	0.0	-28.26	325.22	6.30	-21.96
CC(F)(F)CC([NH2+]CC1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300012018244	0	35	0.0	-26.99	304.13	8.60	-18.39
CC(F)(F)CC([NH2+]CC1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300012018245	0	32	0.0	-23.37	295.40	8.54	-14.83
CC(F)(F)CC([NH2+]CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300012018246	0	32	0.0	-25.71	297.31	8.56	-17.15
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018247	0	53	0.0	-25.75	415.46	12.72	-13.03
CC(F)(F)CC([NH2+]CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012018248	0	36	0.0	-29.75	306.74	7.23	-22.52
CC(F)(F)CC([NH2+]CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300012018249	0	35	0.0	-29.59	296.07	8.73	-20.86
CCCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018250	0	45	0.0	-26.20	359.75	9.40	-16.80
CC(C)CCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018251	0	48	0.0	-27.08	379.41	9.97	-17.11
CCCCCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018252	0	51	0.0	-27.07	404.84	11.01	-16.06
CC(F)(F)CC([NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012018253	0	43	0.0	-29.26	354.22	10.44	-18.82
CCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(OCCC)=C1	REAL300012018254	0	52	0.0	-27.53	411.93	9.76	-17.77
CCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012018255	0	43	0.0	-28.74	346.00	7.71	-21.03
CC(F)(F)CC([NH2+]CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012018256	0	35	0.0	-26.38	306.55	8.67	-17.71
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(OC)=C1OC	REAL300012018257	0	44	0.0	-25.91	359.42	6.84	-19.07
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012018258	0	50	0.0	-29.11	405.91	10.76	-18.35
COC1=CC=C(Br)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018259	0	36	0.0	-25.33	315.68	7.59	-17.74
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC(Br)=C1O	REAL300012018260	0	37	0.0	-29.42	326.91	5.39	-24.03
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012018261	0	42	0.0	-26.36	339.61	11.01	-15.35
COC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012018262	0	42	0.0	-25.44	336.63	9.10	-16.34
CC(F)(F)CC([NH2+]CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300012018263	0	32	0.0	-23.42	295.60	8.48	-14.94
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018264	0	44	0.0	-29.43	354.43	6.22	-23.21
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018265	0	42	0.0	-25.00	360.86	9.64	-15.36
CC(F)(F)CC([NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012018266	0	46	0.0	-26.81	378.75	10.93	-15.88
CC(F)(F)CC([NH2+]CC1=CC=CC=C1Br)C(=O)[O-]	REAL300012018267	0	32	0.0	-24.12	277.00	8.08	-16.04
CC(F)(F)CC([NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1)C(=O)[O-]	REAL300012018268	0	39	0.0	-30.41	346.37	9.45	-20.96
CC(F)(F)CC([NH2+]CC1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300012018269	0	35	0.0	-33.99	309.83	6.82	-27.17
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012018270	0	44	0.0	-36.90	337.49	7.53	-29.37
CC(F)(F)CC([NH2+]CC1=CC=CC=C1I)C(=O)[O-]	REAL300012018271	0	32	0.0	-22.82	280.55	8.43	-14.39
CC(F)(F)CC([NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F)C(=O)[O-]	REAL300012018272	0	40	0.0	-29.05	343.36	6.82	-22.23
CC(F)(F)CC([NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012018273	0	49	0.0	-37.15	390.50	10.88	-26.27
CN(CCC#N)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018274	0	44	0.0	-31.53	361.40	9.50	-22.03
CC(F)(F)CC([NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300012018275	0	42	0.0	-25.29	346.37	9.36	-15.93
CCOC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1OC	REAL300012018276	0	43	0.0	-23.56	347.80	7.85	-15.71
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OCC(N)=O	REAL300012018277	0	44	0.0	-37.64	364.82	4.80	-32.84
CCNC(=O)COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012018278	0	50	0.0	-39.36	406.15	7.03	-32.33
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC2=C1OCO2	REAL300012018279	0	39	0.0	-32.08	323.07	5.58	-26.50
CC(F)(F)CC([NH2+]CC1=NN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012018280	0	38	0.0	-31.60	321.92	7.42	-24.18
COC1=CC2=C(C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-])OC(C)C2	REAL300012018281	0	44	0.0	-27.12	352.78	7.62	-19.50
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012018282	0	48	0.0	-37.38	396.74	4.58	-32.80
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012018283	0	44	0.0	-37.71	384.90	5.46	-32.25
CCN(C(C)=O)C1=NC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CS1	REAL300012018284	1	41	0.0	-29.86	344.08	7.45	-22.41
COC1=CC=CC(OC)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018285	0	40	0.0	-25.93	323.81	6.37	-19.56
CC(F)(F)CC([NH2+]CC1=CC=CC(I)=C1)C(=O)[O-]	REAL300012018286	0	32	0.0	-25.11	295.27	8.74	-16.37
CC(F)(F)CC([NH2+]CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012018287	0	32	0.0	-26.54	295.27	8.75	-17.79
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300012018288	0	42	0.0	-29.55	361.77	8.48	-21.07
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018289	0	45	0.0	-24.06	353.53	11.35	-12.71
CC(F)(F)CC([NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300012018290	0	38	0.0	-34.43	328.17	5.17	-29.26
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300012018291	0	42	0.0	-27.87	358.42	11.57	-16.30
COC1=CC=C(Cl)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018292	0	36	0.0	-25.40	311.12	7.48	-17.92
COC(=O)C1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CN1C	REAL300012018293	0	39	0.0	-28.41	325.65	7.81	-20.60
CC(F)(F)CC([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012018294	0	45	0.0	-28.30	371.52	9.23	-19.07
CC(F)(F)CC([NH2+]CC1=CC=C(Br)C=N1)C(=O)[O-]	REAL300012018295	0	31	0.0	-23.93	283.90	6.43	-17.50
CC(F)(F)CC([NH2+]CC1=CN=C(N2CCOCC2)S1)C(=O)[O-]	REAL300012018296	0	41	0.0	-27.04	339.09	4.91	-22.13
C#CCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018297	0	41	0.0	-27.81	346.13	9.19	-18.62
CC1=NN(C)C2=NC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C12	REAL300012018298	0	40	0.0	-30.46	331.67	7.32	-23.14
CC(F)(F)CC([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C(=O)[O-]	REAL300012018299	0	35	0.0	-24.73	309.94	8.63	-16.10
CCOCC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OC	REAL300012018300	0	46	0.0	-29.09	371.08	7.85	-21.24
CC(F)(F)CC([NH2+]CC1=NC=CN1CC(F)(F)F)C(=O)[O-]	REAL300012018301	0	35	0.0	-32.57	302.61	7.08	-25.49
CC(F)(F)CC([NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1)C(=O)[O-]	REAL300012018302	0	41	0.0	-26.04	357.14	7.08	-18.96
CC(F)(F)CC([NH2+]CC1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300012018303	0	35	0.0	-24.00	321.75	9.25	-14.75
CC(F)(F)CC([NH2+]CC1=CC=C(Br)C=C1C(F)(F)F)C(=O)[O-]	REAL300012018304	0	35	0.0	-29.31	317.37	9.33	-19.98
CC(F)(F)CC([NH2+]CC1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300012018305	0	32	0.0	-22.76	286.51	8.04	-14.72
CC(F)(F)CC([NH2+]CC1=CSC=C1Br)C(=O)[O-]	REAL300012018306	0	29	0.0	-25.43	275.43	7.16	-18.27
CC(C)COC1=CC=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018307	0	45	0.0	-23.36	359.03	9.42	-13.94
CC(F)(F)CC([NH2+]CC1=CC(F)=CC(Br)=C1)C(=O)[O-]	REAL300012018309	0	32	0.0	-26.28	293.95	8.30	-17.98
CC(F)(F)CC([NH2+]CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300012018310	0	32	0.0	-22.50	287.42	8.18	-14.32
CC(F)(F)CC([NH2+]CC1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300012018311	0	32	0.0	-23.23	291.56	8.22	-15.01
CC(C)(C)C1=NC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=N1	REAL300012018312	0	42	0.0	-28.41	339.24	7.61	-20.80
CS(=O)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018313	0	37	0.0	-39.24	317.61	6.19	-33.05
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C)=C1OC	REAL300012018314	0	43	0.0	-26.01	339.21	7.48	-18.53
CC(F)(F)CC([NH2+]CC1=CSC(Cl)=C1Cl)C(=O)[O-]	REAL300012018315	0	29	0.0	-27.98	288.58	7.65	-20.33
CC(F)(F)CC([NH2+]CC1=CN=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012018316	0	31	0.0	-27.95	291.47	6.00	-21.95
CC(F)(F)CC([NH2+]CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300012018317	0	38	0.0	-31.69	326.08	5.11	-26.58
CC(F)(F)CC([NH2+]CC1=CC=C(C2CCCC2)C=C1)C(=O)[O-]	REAL300012018318	0	45	0.0	-24.41	348.94	10.78	-13.63
CC(F)(F)CC([NH2+]CC1=NC=CN1C1=CC=CC=C1)C(=O)[O-]	REAL300012018319	0	39	0.0	-22.48	322.99	9.24	-13.24
CC(F)(F)CC([NH2+]CC1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300012018320	0	42	0.0	-24.44	329.56	8.03	-16.41
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018321	0	42	0.0	-27.31	340.06	9.26	-18.05
COC1=CC(C)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C)=N1	REAL300012018322	0	41	0.0	-24.80	324.27	5.26	-19.54
COC1=CC=CC(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018323	0	36	0.0	-24.74	309.82	7.43	-17.31
CCC1=CC(OC)=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018324	0	42	0.0	-24.54	325.65	8.06	-16.48
CC1=NC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])N1C1=CC=CC=C1	REAL300012018325	0	42	0.0	-25.60	345.27	9.89	-15.71
CCCN1N=C(C)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1C	REAL300012018326	0	44	0.0	-24.69	350.60	7.98	-16.71
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC2=CC=CC=C21	REAL300012018327	0	42	0.0	-26.56	339.88	9.20	-17.36
CCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1F	REAL300012018328	0	39	0.0	-30.52	322.98	7.89	-22.63
COC1=CC=CC2=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=CC=C12	REAL300012018329	0	42	0.0	-25.84	336.83	9.14	-16.70
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018330	0	42	0.0	-25.20	338.16	9.42	-15.78
CC(F)(F)CC([NH2+]CC1=NC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012018331	0	31	0.0	-23.75	290.75	5.91	-17.84
CC(F)(F)CC([NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C(=O)[O-]	REAL300012018332	0	39	0.0	-28.11	329.32	5.89	-22.22
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(Br)=C1	REAL300012018333	0	36	0.0	-26.93	310.80	7.43	-19.50
CC1=CC(Br)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])S1	REAL300012018334	0	32	0.0	-24.07	299.15	8.10	-15.97
CC(C)(C)OC(=O)C1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1	REAL300012018335	0	47	0.0	-26.23	375.10	10.30	-15.93
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018336	0	42	0.0	-22.66	353.73	10.25	-12.41
CN1C(=O)CCC2=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C21	REAL300012018337	0	43	0.0	-31.90	342.96	8.54	-23.36
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018338	0	47	0.0	-24.51	393.12	10.96	-13.55
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018339	0	39	0.0	-26.87	326.92	7.95	-18.92
CC(F)(F)CC([NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1)C(=O)[O-]	REAL300012018340	0	38	0.0	-27.55	349.24	9.19	-18.36
CC(F)(F)CC([NH2+]CC1=CN=C(C2=CC=CC=C2F)S1)C(=O)[O-]	REAL300012018341	0	38	0.0	-30.19	337.15	8.92	-21.27
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018342	0	49	0.0	-25.28	393.16	11.15	-14.13
CC(F)(F)CC([NH2+]CC1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300012018343	0	43	0.0	-24.53	365.88	10.03	-14.50
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012018344	0	47	0.0	-32.90	393.02	7.98	-24.92
CC(F)(F)CC([NH2+]CC1=CC=NC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300012018345	0	37	0.0	-28.98	321.50	8.57	-20.41
CC(F)(F)CC([NH2+]CC1=CN=C(C2CCCC2)S1)C(=O)[O-]	REAL300012018346	0	41	0.0	-26.34	339.40	8.28	-18.06
CC(F)(F)CC([NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300012018347	0	38	0.0	-30.55	340.67	8.89	-21.66
CC(F)(F)CC([NH2+]CC1=CN=C(C2=CC=CO2)S1)C(=O)[O-]	REAL300012018348	0	35	0.0	-27.78	315.41	6.76	-21.02
CC(F)(F)CC([NH2+]CC1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300012018349	0	32	0.0	-25.67	301.53	8.66	-17.01
CC(F)(F)CC([NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300012018350	0	44	0.0	-26.62	374.99	10.10	-16.52
CN1C=C(C2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2)C=N1	REAL300012018351	0	42	0.0	-30.39	347.61	8.93	-21.46
CC(F)(F)CC([NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300012018352	0	43	0.0	-28.87	362.97	10.57	-18.30
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012018353	0	42	0.0	-27.83	347.20	8.66	-19.17
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012018354	0	43	0.0	-30.03	367.63	9.21	-20.82
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])N1	REAL300012018355	0	40	0.0	-33.55	322.65	5.74	-27.81
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=N1	REAL300012018356	0	46	0.0	-29.42	375.80	10.07	-19.35
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018357	0	44	0.0	-24.37	349.20	7.78	-16.59
CC(F)(F)CC([NH2+]CC1=CN=C(C2CCC2)S1)C(=O)[O-]	REAL300012018358	0	38	0.0	-25.36	320.79	7.73	-17.63
CC(F)(F)CC([NH2+]CC1=CN=C(C2CCCO2)S1)C(=O)[O-]	REAL300012018359	0	39	0.0	-28.03	329.46	5.80	-22.23
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])N=N1	REAL300012018360	0	41	0.0	-33.89	334.29	8.14	-25.75
CN1N=C(Br)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018361	0	32	0.0	-29.27	289.95	5.72	-23.55
CN1C=C(C2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])S2)C=N1	REAL300012018362	0	39	0.0	-30.09	341.44	8.33	-21.76
CC(F)(F)CC([NH2+]CC1=CC=C2OCCCCOC2=C1)C(=O)[O-]	REAL300012018363	0	44	0.0	-30.60	346.69	8.54	-22.06
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018364	0	39	0.0	-26.36	331.90	8.46	-17.90
CC(F)(F)CC([NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C(=O)[O-]	REAL300012018365	0	32	0.0	-28.40	295.99	8.50	-19.90
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018366	0	43	0.0	-26.67	351.84	7.99	-18.68
CC(F)(F)CC([NH2+]CC1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300012018367	0	36	0.0	-25.90	317.59	7.54	-18.36
CC(F)(F)CC([NH2+]CC1=CC=NN1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300012018368	0	39	0.0	-25.27	328.97	8.59	-16.68
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC=C2Br)C=C1)C(=O)[O-]	REAL300012018369	0	42	0.0	-27.30	362.03	11.65	-15.65
CC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012018370	0	45	0.0	-26.72	365.83	9.49	-17.23
CC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012018371	0	45	0.0	-23.84	360.62	9.10	-14.74
CC(F)(F)CC([NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)C(=O)[O-]	REAL300012018372	0	42	0.0	-31.47	363.79	9.83	-21.64
CC1=CC(Br)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1Cl	REAL300012018373	0	35	0.0	-23.60	315.42	9.24	-14.36
CC(F)(F)CC([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012018374	0	42	0.0	-26.38	366.85	9.63	-16.75
CC(F)(F)CC([NH2+]CC1=CN(CCC#N)N=C1C1=CC=NC=C1)C(=O)[O-]	REAL300012018376	0	45	0.0	-31.50	381.81	8.35	-23.15
CC(F)(F)CC([NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1)C(=O)[O-]	REAL300012018377	0	38	0.0	-25.26	328.56	11.25	-14.01
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018378	0	42	0.0	-32.00	345.53	8.15	-23.85
COCCCN1N=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018379	0	42	0.0	-24.58	338.13	5.93	-18.65
CC1=CC(F)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(Cl)=C1	REAL300012018380	0	35	0.0	-24.27	307.02	8.71	-15.56
COCCOCC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018381	0	46	0.0	-29.55	378.03	7.61	-21.94
CC(F)(F)CC([NH2+]CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012018383	0	32	0.0	-27.40	282.47	7.50	-19.90
CC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012018384	0	38	0.0	-24.08	336.61	10.18	-13.90
CC(F)(F)CC([NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012018385	0	46	0.0	-28.44	388.83	10.00	-18.44
CC(F)(F)CC([NH2+]CC1=CC=C(F)C=C1I)C(=O)[O-]	REAL300012018386	0	32	0.0	-24.44	288.51	8.49	-15.95
CC(F)(F)CC([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300012018387	0	35	0.0	-31.04	305.00	6.69	-24.35
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])O1	REAL300012018388	0	42	0.0	-25.05	346.93	7.93	-17.12
CC(F)(F)CC([NH2+]CC1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300012018389	0	31	0.0	-25.55	291.43	6.75	-18.80
CC(F)(F)CC([NH2+]CC1=CC(OC(F)F)=CC=C1Br)C(=O)[O-]	REAL300012018390	0	36	0.0	-24.38	322.25	7.81	-16.57
COC(=O)C1=C(C)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CN1	REAL300012018391	0	39	0.0	-33.44	325.18	6.66	-26.78
CC1=CC=C(C2=NC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])S2)C=C1C	REAL300012018392	0	44	0.0	-26.96	371.00	9.88	-17.08
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018393	0	42	0.0	-31.04	351.12	9.54	-21.50
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018394	0	42	0.0	-28.23	356.75	10.02	-18.21
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018395	0	45	0.0	-29.41	367.37	10.14	-19.27
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018396	0	42	0.0	-30.25	344.11	9.60	-20.65
CC(F)(F)CC([NH2+]CC1=CN=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300012018397	0	38	0.0	-27.21	316.66	7.25	-19.96
COC1=CC(OC)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1F	REAL300012018398	0	40	0.0	-27.99	330.06	6.35	-21.64
COC1=CC(F)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012018399	0	40	0.0	-29.14	328.61	6.84	-22.30
CC(F)(F)CC([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1)C(=O)[O-]	REAL300012018400	0	46	0.0	-27.20	388.88	11.16	-16.04
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018401	0	45	0.0	-28.22	367.43	10.10	-18.12
CCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C)=C1	REAL300012018402	0	45	0.0	-25.36	351.90	9.20	-16.16
CC(F)(F)CC([NH2+]CC1=CC2=CC=NC=C2S1)C(=O)[O-]	REAL300012018403	0	34	0.0	-26.34	298.37	7.37	-18.97
CC(F)(F)CC([NH2+]CC1=CC2=CC(Br)=CC=C2O1)C(=O)[O-]	REAL300012018404	0	35	0.0	-25.72	316.78	8.80	-16.92
CCC1=C2OC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC2=CC=C1	REAL300012018405	1	41	0.0	-25.59	338.39	9.61	-15.98
CC(F)(F)CC([NH2+]CC1=CC=CC(OC2CC2)=C1F)C(=O)[O-]	REAL300012018406	0	40	0.0	-33.35	333.43	8.64	-24.71
CCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C)=C1	REAL300012018407	0	42	0.0	-24.94	328.67	8.32	-16.62
CC(F)(F)CC([NH2+]CC1=CC=CC(F)=C1OC(F)F)C(=O)[O-]	REAL300012018408	0	36	0.0	-28.07	310.45	7.33	-20.74
CC(F)(F)CC([NH2+]CC1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300012018409	0	36	0.0	-26.60	311.91	7.36	-19.24
CC(F)(F)CC([NH2+]CC1=CC=CC(C2CCCC2)=C1)C(=O)[O-]	REAL300012018410	0	45	0.0	-24.92	350.47	10.82	-14.10
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=N1	REAL300012018411	0	42	0.0	-28.01	347.39	6.48	-21.53
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2C1	REAL300012018412	0	56	0.0	-30.63	433.52	10.85	-19.78
CC(F)(F)CC([NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300012018413	0	38	0.0	-25.67	348.00	9.16	-16.51
CC(F)(F)CC([NH2+]CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012018414	0	32	0.0	-25.53	296.02	7.74	-17.79
CC(F)(F)CC([NH2+]CC1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300012018415	0	32	0.0	-24.84	288.16	6.97	-17.87
CC(F)(F)CC([NH2+]CC1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300012018416	0	32	0.0	-21.81	287.75	7.63	-14.18
CN(C)C1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=CC(F)=C1F	REAL300012018417	0	40	0.0	-24.79	325.26	7.65	-17.14
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CC=C(Br)S1)C(=O)[O-]	REAL300012018418	0	36	0.0	-24.78	329.89	7.42	-17.36
CC(F)(F)CC([NH2+]CC1=C(F)C=CC(F)=C1Cl)C(=O)[O-]	REAL300012018419	0	32	0.0	-24.54	291.46	8.10	-16.44
CC(C)OC1=CC(Cl)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1Cl	REAL300012018420	0	42	0.0	-24.21	365.50	9.49	-14.72
CC(F)(F)CC([NH2+]CC1=CC=C(OC2CCOC2)C=C1)C(=O)[O-]	REAL300012018421	0	44	0.0	-29.63	352.89	7.29	-22.34
CN(C)C1=CC(F)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1F	REAL300012018422	0	40	0.0	-28.15	332.90	7.23	-20.92
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018423	0	46	0.0	-27.75	369.18	9.39	-18.36
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012018424	0	39	0.0	-27.65	334.47	7.91	-19.74
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012018425	0	44	0.0	-29.51	379.71	8.98	-20.53
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC1CC1	REAL300012018426	0	44	0.0	-28.89	356.04	8.48	-20.41
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018427	0	35	0.0	-29.74	308.33	6.21	-23.53
COCC(C)OC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018428	0	46	0.0	-27.37	367.74	7.82	-19.55
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012018429	0	46	0.0	-25.14	387.52	11.23	-13.91
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C(=O)[O-]	REAL300012018430	0	39	0.0	-26.73	332.76	10.21	-16.52
CC(F)(F)CC([NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300012018431	0	45	0.0	-24.08	360.41	9.76	-14.32
CC(F)(F)CC([NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F)C(=O)[O-]	REAL300012018432	0	39	0.0	-30.44	336.36	8.31	-22.13
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1C(C)(C)C	REAL300012018433	0	48	0.0	-25.97	368.16	9.63	-16.34
CC(F)(F)CC([NH2+]CC1=CC=CC(CC2CCC2)=C1)C(=O)[O-]	REAL300012018434	0	45	0.0	-25.19	358.54	11.16	-14.03
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018435	0	40	0.0	-25.45	338.21	6.80	-18.65
CC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=NC=C1Br	REAL300012018436	0	34	0.0	-23.64	302.42	7.01	-16.63
CC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C(Br)C=C1F	REAL300012018437	0	35	0.0	-24.63	303.68	8.78	-15.85
CC(F)(F)CC([NH2+]CC1=C(O)C=CC=C1Br)C(=O)[O-]	REAL300012018438	0	33	0.0	-25.73	290.87	5.22	-20.51
CN1C=C(C2=NC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CS2)C=N1	REAL300012018439	0	38	0.0	-27.22	335.75	6.20	-21.02
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1Cl	REAL300012018440	0	36	0.0	-27.46	310.93	7.44	-20.02
CC(F)(F)CC([NH2+]CC1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300012018441	0	42	0.0	-26.84	338.30	8.21	-18.63
CC(F)(F)CC([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C(=O)[O-]	REAL300012018442	0	38	0.0	-36.01	326.81	7.54	-28.47
CC(F)(F)CC([NH2+]CC1=CC=CC=C1CC(F)(F)F)C(=O)[O-]	REAL300012018443	0	38	0.0	-25.69	314.60	9.16	-16.53
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(Br)=N1	REAL300012018444	0	32	0.0	-25.48	291.14	5.96	-19.52
CC(=O)NC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018445	0	39	0.0	-32.17	323.86	6.51	-25.66
CC(F)(F)CC([NH2+]CC1=NC=C(Br)C=C1F)C(=O)[O-]	REAL300012018446	0	31	0.0	-25.00	289.26	6.45	-18.55
COC1=CC(Cl)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC	REAL300012018447	0	40	0.0	-27.67	336.76	7.30	-20.37
CC(F)(F)CC([NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300012018448	0	38	0.0	-27.35	326.40	9.39	-17.96
CC(C)(C)OC(=O)NCC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1	REAL300012018449	0	52	0.0	-28.27	413.30	8.04	-20.23
CN1N=C2CCCCC2=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018450	0	42	0.0	-26.77	331.68	7.63	-19.14
CCOC(=O)C1=C(C)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C(C)N1	REAL300012018451	0	45	0.0	-31.32	367.56	8.03	-23.29
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1)C(=O)[O-]	REAL300012018452	0	42	0.0	-28.29	358.43	11.56	-16.73
CC(F)(F)CC([NH2+]CC1=CC=C(Br)C(F)=C1F)C(=O)[O-]	REAL300012018453	0	32	0.0	-32.81	298.92	8.36	-24.45
CC(F)(F)CC([NH2+]CC1=C(Br)SC=C1)C(=O)[O-]	REAL300012018454	0	29	0.0	-24.03	272.96	7.23	-16.80
CCOC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C(F)C=C1OC	REAL300012018455	0	43	0.0	-28.90	350.46	7.76	-21.14
COC1=NC=C(Br)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018456	0	35	0.0	-24.05	314.60	5.01	-19.04
CC(F)(F)CC([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C(=O)[O-]	REAL300012018457	0	38	0.0	-24.94	311.93	9.75	-15.19
CC(F)(F)CC([NH2+]CC1=CC=CN=C1Br)C(=O)[O-]	REAL300012018458	0	31	0.0	-24.18	278.11	6.37	-17.81
CC(F)(F)CC([NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300012018459	0	46	0.0	-31.47	386.91	7.26	-24.21
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C(F)C=C1Br	REAL300012018460	0	36	0.0	-29.57	321.88	7.65	-21.92
CC(F)(F)CC([NH2+]CC1=CC=CC(Br)=C1Cl)C(=O)[O-]	REAL300012018461	0	32	0.0	-23.27	299.61	8.64	-14.63
CC(F)(F)CC([NH2+]CC1=CC=CC(F)=C1OC(F)(F)F)C(=O)[O-]	REAL300012018462	0	36	0.0	-30.14	315.64	7.56	-22.58
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018463	0	42	0.0	-25.55	341.68	8.65	-16.90
CCOC1=CC(F)=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018464	0	39	0.0	-26.62	324.01	7.91	-18.71
CC(F)(F)CC([NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1)C(=O)[O-]	REAL300012018465	0	46	0.0	-32.39	363.51	8.65	-23.74
CC(F)(F)CC([NH2+]CC1=CC=C(OC(F)F)C=C1F)C(=O)[O-]	REAL300012018466	0	36	0.0	-30.17	312.43	7.25	-22.92
CC(C)(C)OC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1	REAL300012018467	0	45	0.0	-24.46	346.03	8.73	-15.73
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C(F)C=C1C	REAL300012018468	0	39	0.0	-27.10	319.48	7.67	-19.43
CC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C)=C1Br	REAL300012018469	0	38	0.0	-23.21	316.49	9.30	-13.91
CC1=CC=NC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1Br	REAL300012018470	0	34	0.0	-25.52	299.13	6.89	-18.63
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018471	0	49	0.0	-27.92	389.25	7.88	-20.04
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012018472	0	42	0.0	-26.40	357.61	8.90	-17.50
COCCC1=NC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])S1	REAL300012018474	0	38	0.0	-27.61	329.35	5.43	-22.18
CC(F)(F)CC([NH2+]CC1=CC(Br)=CC(F)=C1O)C(=O)[O-]	REAL300012018476	1	33	0.0	-25.86	304.62	5.54	-20.32
CC(F)(F)CC([NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012018477	0	42	0.0	-27.95	372.95	9.33	-18.62
CN1N=C2CCSCC2=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018478	0	40	0.0	-26.22	331.18	7.30	-18.92
CCN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012018479	0	45	0.0	-27.35	364.92	9.55	-17.80
COCC1=C(C)C=C(C)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1C	REAL300012018480	0	48	0.0	-23.30	365.71	8.69	-14.61
CC(F)(F)CC([NH2+]CC1=CC=C2OC(=O)OC2=C1)C(=O)[O-]	REAL300012018481	0	34	0.0	-31.02	293.16	8.14	-22.88
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(Cl)=C1	REAL300012018482	0	49	0.0	-23.66	410.03	12.42	-11.24
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300012018483	0	43	0.0	-27.21	376.45	11.02	-16.19
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018484	0	46	0.0	-24.21	389.95	11.63	-12.58
CC(F)(F)CC([NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300012018485	0	43	0.0	-26.71	375.42	10.99	-15.72
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018486	0	49	0.0	-22.24	404.34	12.19	-10.05
CC1=C(Br)C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])S1	REAL300012018487	0	32	0.0	-24.67	298.83	8.12	-16.55
CC(F)(F)CC([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300012018488	0	42	0.0	-27.50	358.55	11.58	-15.92
CC(F)(F)CC([NH2+]CC1=CC=CC(F)=C1I)C(=O)[O-]	REAL300012018489	0	32	0.0	-21.94	292.58	8.61	-13.33
CCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1C	REAL300012018490	0	45	0.0	-26.86	360.42	9.42	-17.44
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012018491	0	50	0.0	-30.59	405.43	10.37	-20.22
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012018492	0	46	0.0	-30.24	379.70	8.63	-21.61
CCOC1=CC=CC(F)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018493	0	39	0.0	-26.77	322.94	7.95	-18.82
CC1=CC=C(Br)C(F)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018494	0	35	0.0	-22.16	307.37	8.70	-13.46
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C)=C1	REAL300012018495	0	49	0.0	-28.91	410.57	12.27	-16.64
CC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012018496	0	37	0.0	-32.43	301.43	8.58	-23.85
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018497	0	40	0.0	-30.79	320.64	9.09	-21.70
COC1=CC=C(CN2C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])N=N2)C=C1	REAL300012018498	0	45	0.0	-39.51	375.15	7.28	-32.23
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(F)=C1OC	REAL300012018499	0	40	0.0	-26.62	335.53	6.98	-19.64
COC(=O)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(F)=C1	REAL300012018500	0	38	0.0	-33.48	326.59	8.29	-25.19
CC(F)(F)CC([NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012018501	0	42	0.0	-31.72	354.04	8.03	-23.69
CC(F)(F)CC([NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012018502	0	46	0.0	-28.12	378.76	10.92	-17.20
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OCC(F)F)C(=O)[O-]	REAL300012018503	0	39	0.0	-27.71	330.43	8.26	-19.45
CC(F)(F)CC([NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300012018504	0	43	0.0	-24.40	370.66	10.56	-13.84
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018505	0	50	0.0	-24.82	404.72	10.99	-13.83
CC(F)(F)CC([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012018506	0	43	0.0	-24.11	375.82	11.00	-13.11
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018507	0	47	0.0	-25.41	401.50	11.58	-13.83
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018508	0	48	0.0	-25.66	380.64	10.59	-15.07
CC(F)(F)CC([NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300012018509	0	38	0.0	-24.44	349.18	8.97	-15.47
COC1=CC=C(C2=NC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CS2)C=C1	REAL300012018510	0	42	0.0	-24.68	360.53	7.72	-16.96
CC(F)(F)CC([NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)C(=O)[O-]	REAL300012018512	0	40	0.0	-33.25	339.00	4.30	-28.95
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018513	0	32	0.0	-29.64	300.94	6.93	-22.71
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018514	0	52	0.0	-25.40	387.51	9.76	-15.64
CC(F)(F)CC([NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1)C(=O)[O-]	REAL300012018515	0	46	0.0	-30.82	394.67	10.98	-19.84
CC(F)(F)CC([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C(=O)[O-]	REAL300012018516	0	38	0.0	-30.91	322.43	5.85	-25.06
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])S1	REAL300012018517	0	37	0.0	-31.03	320.59	6.80	-24.23
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])S1	REAL300012018518	0	43	0.0	-30.41	363.93	8.14	-22.27
CC(F)(F)CC([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300012018519	0	37	0.0	-27.06	321.24	8.58	-18.48
CC(F)(F)CC([NH2+]CC1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012018520	0	32	0.0	-25.84	298.48	7.96	-17.88
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012018521	0	49	0.0	-31.27	401.83	8.51	-22.76
CC(F)(F)CC([NH2+]CC1=NC2=CC=C(Br)C=C2S1)C(=O)[O-]	REAL300012018522	0	34	0.0	-23.57	318.36	7.64	-15.93
CN(C)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012018523	0	43	0.0	-28.97	345.58	9.04	-19.93
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018524	0	42	0.0	-25.70	349.57	10.28	-15.42
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018525	0	41	0.0	-30.87	357.71	9.22	-21.65
CC(F)(F)CC([NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1)C(=O)[O-]	REAL300012018526	0	51	0.0	-27.36	404.55	11.16	-16.20
CC(F)(F)CC([NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300012018527	0	35	0.0	-30.81	327.40	8.99	-21.82
CC(F)(F)CC([NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1)C(=O)[O-]	REAL300012018528	0	38	0.0	-37.93	336.51	8.13	-29.80
CC(F)(F)CC([NH2+]CC1=CN2C=CC(Br)=CC2=N1)C(=O)[O-]	REAL300012018529	0	35	0.0	-26.20	315.91	8.77	-17.43
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018530	0	43	0.0	-28.82	353.99	9.05	-19.77
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018531	0	46	0.0	-27.12	364.30	9.19	-17.93
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018532	0	42	0.0	-24.86	338.64	8.45	-16.41
CC(F)(F)CC([NH2+]CC1=CON=C1CC1=CC=CC=C1)C(=O)[O-]	REAL300012018533	0	41	0.0	-28.42	339.64	9.29	-19.13
COC1=CC=C(N2C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=N2)C=C1	REAL300012018534	0	43	0.0	-31.70	354.57	8.12	-23.58
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018535	0	47	0.0	-25.97	387.28	11.01	-14.96
CC(F)(F)CC([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C(=O)[O-]	REAL300012018536	0	34	0.0	-26.98	307.03	5.62	-21.36
CC(F)(F)CC([NH2+]CC1=CC=NC=C1Br)C(=O)[O-]	REAL300012018537	0	31	0.0	-25.64	272.85	6.31	-19.33
CC(F)(F)CC([NH2+]CC1=CC=C(S(C)(=O)=O)S1)C(=O)[O-]	REAL300012018538	0	35	0.0	-35.36	320.58	4.33	-31.03
CC(F)(F)CC([NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1)C(=O)[O-]	REAL300012018539	0	52	0.0	-25.69	410.01	11.59	-14.10
CC(F)(F)CC([NH2+]CC1=CC=NN1C1=CC=CC=N1)C(=O)[O-]	REAL300012018540	0	38	0.0	-25.09	310.90	8.35	-16.74
CC(F)(F)CC([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1F)C(=O)[O-]	REAL300012018541	0	37	0.0	-31.82	326.31	2.67	-29.15
CC1=C(Br)C=NC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018542	0	34	0.0	-25.62	292.95	6.92	-18.70
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018543	0	35	0.0	-23.04	305.23	6.25	-16.79
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018544	0	42	0.0	-25.34	331.23	7.70	-17.64
CC(F)(F)CC([NH2+]CC1=CC=NN1C1=CC=NC=C1)C(=O)[O-]	REAL300012018545	0	38	0.0	-26.01	317.57	6.75	-19.26
COC1=CC=C(C2=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300012018546	0	48	0.0	-33.16	401.53	6.68	-26.48
CC(F)(F)CC([NH2+]CC1=CC=NN1C1CCOCC1)C(=O)[O-]	REAL300012018547	0	43	0.0	-26.77	342.59	6.27	-20.50
CC(F)(F)CC([NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21)C(=O)[O-]	REAL300012018548	0	46	0.0	-25.82	385.41	10.71	-15.11
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018550	0	41	0.0	-27.41	339.36	8.03	-19.38
CC(F)(F)CC([NH2+]CC1=CN(CC2CCOC2)N=N1)C(=O)[O-]	REAL300012018551	0	42	0.0	-37.26	339.86	5.04	-32.22
CC1=CC(C)=C(C=CC[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C)=C1	REAL300012018552	0	45	0.0	-26.35	355.46	10.73	-15.62
CC(F)(F)CC([NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C(=O)[O-]	REAL300012018553	0	52	0.0	-28.40	407.51	6.52	-21.88
CC(C)(C)OC(=O)NC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])CC(F)F	REAL300012018554	0	48	0.0	-31.61	377.84	6.51	-25.10
CC(F)(F)CC([NH2+]CC1=CN(CC2CCCO2)N=N1)C(=O)[O-]	REAL300012018555	0	42	0.0	-36.88	342.49	5.23	-31.65
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018556	0	40	0.0	-23.92	323.86	7.70	-16.22
CC(F)(F)CC([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C(=O)[O-]	REAL300012018557	0	37	0.0	-34.55	313.67	8.06	-26.49
CC1=CC(C)=C(C=CC[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1C	REAL300012018558	0	45	0.0	-26.66	352.31	10.62	-16.04
CC(F)(F)CC([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300012018559	0	37	0.0	-33.10	319.63	2.55	-30.55
CN1C=CC(C2=NC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CS2)=N1	REAL300012018560	0	38	0.0	-28.62	335.86	6.09	-22.53
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2CCCC2)=N1	REAL300012018561	0	45	0.0	-28.56	355.17	8.53	-20.03
CC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1Br	REAL300012018562	0	35	0.0	-25.38	299.53	8.71	-16.67
CC(F)(F)CC([NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300012018563	0	43	0.0	-28.76	362.52	10.55	-18.21
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018564	0	42	0.0	-29.00	338.52	7.43	-21.57
CC(F)(F)CC([NH2+]CC1=C(C2CC2)NN=C1Cl)C(=O)[O-]	REAL300012018565	0	36	0.0	-23.26	313.98	6.62	-16.64
CC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C2CCCCC2=N1	REAL300012018566	0	44	0.0	-25.40	337.99	8.77	-16.63
CC(F)(F)CC([NH2+]CC1=CC=CC=C1N1CCCCC1)C(=O)[O-]	REAL300012018567	0	47	0.0	-21.40	357.91	9.57	-11.83
CC(F)(F)CC([NH2+]CC1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300012018568	1	31	0.0	-24.30	291.90	5.73	-18.57
CC(F)(F)CC([NH2+]CC1=CC=C(C(F)F)C(F)=C1)C(=O)[O-]	REAL300012018569	0	35	0.0	-28.04	306.69	8.60	-19.44
COC(=O)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1C	REAL300012018570	0	41	0.0	-28.30	336.32	8.79	-19.51
CC1=C(Cl)C=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1Cl	REAL300012018571	0	35	0.0	-22.60	312.98	9.11	-13.49
CC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C(C)C=C1I	REAL300012018572	0	38	0.0	-25.18	328.25	9.82	-15.36
CC(F)(F)CC([NH2+]CC1=CC(C#N)=CC=C1Br)C(=O)[O-]	REAL300012018573	0	33	0.0	-26.46	302.47	8.59	-17.87
CC(F)(F)CC([NH2+]CC1=CC=CC2=C1OC(=O)N2)C(=O)[O-]	REAL300012018574	0	35	0.0	-38.91	299.23	5.14	-33.77
CSCC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018575	0	39	0.0	-27.32	333.61	9.54	-17.78
CC(F)(F)CC([NH2+]CC1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300012018576	0	42	0.0	-29.58	338.48	8.36	-21.22
CN1N=C2CCOCC2=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018577	0	40	0.0	-26.35	320.61	5.19	-21.16
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018578	0	45	0.0	-28.52	369.79	9.20	-19.32
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018579	0	42	0.0	-28.85	351.95	8.60	-20.25
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018580	0	42	0.0	-31.74	338.15	7.47	-24.27
CCNC(=O)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018581	0	42	0.0	-33.47	343.36	6.72	-26.75
CC(F)(F)CC([NH2+]CC1=CN=C2CCCCCN12)C(=O)[O-]	REAL300012018582	0	42	0.0	-28.26	322.26	8.00	-20.26
COC1=CC=C2SC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC2=C1	REAL300012018583	0	39	0.0	-26.64	334.42	8.47	-18.17
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018584	0	48	0.0	-30.89	378.94	9.35	-21.54
CCN1CCC2=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C21	REAL300012018585	0	44	0.0	-26.22	339.90	7.79	-18.43
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018586	0	45	0.0	-35.76	360.14	8.49	-27.27
CSC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1Cl	REAL300012018587	0	36	0.0	-25.95	320.63	9.06	-16.89
CC1=NN(C2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C)=C2)C=C1	REAL300012018588	0	45	0.0	-30.36	359.02	9.85	-20.51
CC(F)(F)CC([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300012018589	0	38	0.0	-28.02	338.70	9.52	-18.50
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018590	0	42	0.0	-28.90	352.87	9.79	-19.11
CCC1=CC(Br)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])S1	REAL300012018591	0	35	0.0	-23.03	319.13	8.84	-14.19
CC1=NN(C2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2)C=C1Cl	REAL300012018592	0	42	0.0	-30.75	362.31	9.88	-20.87
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])O2)N1	REAL300012018593	1	39	0.0	-28.00	334.84	6.41	-21.59
COCCOC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])O1	REAL300012018594	1	40	0.0	-27.21	336.85	6.40	-20.81
CC(F)(F)CC([NH2+]CC(C)(C)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012018595	0	41	0.0	-27.81	336.85	9.97	-17.84
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018596	0	44	0.0	-24.61	348.85	7.90	-16.71
CC(F)(F)CC([NH2+]CC1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300012018597	0	32	0.0	-26.42	305.64	8.77	-17.65
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C)=C1	REAL300012018598	0	48	0.0	-23.47	375.54	12.07	-11.40
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018600	0	52	0.0	-29.97	415.38	8.10	-21.87
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018601	0	44	0.0	-29.05	360.88	7.01	-22.04
CC(F)(F)CC([NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300012018602	0	49	0.0	-31.02	380.45	9.52	-21.50
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018603	0	42	0.0	-29.85	337.40	10.53	-19.32
CC(F)(F)CC([NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C(=O)[O-]	REAL300012018604	0	35	0.0	-30.13	328.51	9.45	-20.68
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CC=C(Cl)O1)C(=O)[O-]	REAL300012018605	0	36	0.0	-29.85	319.61	6.99	-22.86
CC(F)(F)CC([NH2+]CC1=C(Cl)C=CC=C1Br)C(=O)[O-]	REAL300012018607	0	32	0.0	-22.01	295.25	8.43	-13.58
CC(F)(F)CC([NH2+]CC1=CC=C(F)C(Br)=C1F)C(=O)[O-]	REAL300012018608	0	32	0.0	-31.28	296.24	8.29	-22.99
CC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012018609	0	44	0.0	-25.38	349.35	9.15	-16.23
CC(F)(F)CC([NH2+]CC1=CN(CC2=CC=CC=C2)N=N1)C(=O)[O-]	REAL300012018610	0	41	0.0	-36.16	343.56	7.94	-28.22
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])CC1	REAL300012018611	0	52	0.0	-31.18	391.35	8.68	-22.50
CC1=CC(Br)=CN=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018612	0	34	0.0	-22.11	296.88	6.89	-15.22
CC(F)(F)CC([NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C(=O)[O-]	REAL300012018613	0	38	0.0	-29.81	339.27	5.51	-24.30
CC1OC2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2C1C	REAL300012018614	0	43	0.0	-27.60	340.85	8.76	-18.84
CC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OC(F)F	REAL300012018615	0	39	0.0	-29.17	324.73	7.92	-21.25
CC1=NC(Cl)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1Br	REAL300012018616	0	34	0.0	-22.30	312.90	7.38	-14.92
CN1N=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1S(C)(=O)=O	REAL300012018617	0	38	0.0	-36.49	315.44	3.54	-32.95
CCOC1=CC(Br)=CC(F)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018618	0	39	0.0	-24.08	344.24	8.59	-15.49
CC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])NN=C1C(F)(F)F	REAL300012018619	0	35	0.0	-27.77	303.02	5.53	-22.24
CC(F)(F)CC([NH2+]CC1=CC(C(F)(F)F)=NN1)C(=O)[O-]	REAL300012018620	0	32	0.0	-29.41	287.31	4.95	-24.46
CC(F)(F)CC([NH2+]CC1=C(S(C)(=O)=O)SC=C1)C(=O)[O-]	REAL300012018621	0	35	0.0	-39.25	311.29	4.48	-34.77
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2)O1	REAL300012018622	0	49	0.0	-32.28	416.38	9.83	-22.45
CC1=C(Br)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C(C)S1	REAL300012018623	0	35	0.0	-23.62	314.13	8.55	-15.07
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012018624	0	42	0.0	-25.83	352.08	8.85	-16.98
CC(F)(F)CC([NH2+]CC1=CC=C(CC2CC2)S1)C(=O)[O-]	REAL300012018625	0	39	0.0	-25.16	330.60	9.84	-15.32
CC(F)(F)CC([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300012018626	0	36	0.0	-28.82	319.17	7.46	-21.36
CC(F)(F)CC([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300012018627	0	38	0.0	-26.28	338.68	9.52	-16.76
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C)=C1	REAL300012018628	0	45	0.0	-29.36	358.50	10.54	-18.82
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2)C=N1	REAL300012018629	0	45	0.0	-31.87	365.21	11.25	-20.62
CNC(=O)C1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018630	0	39	0.0	-29.37	321.88	5.86	-23.51
CC(F)(F)CC([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C(=O)[O-]	REAL300012018631	0	46	0.0	-25.66	362.46	11.67	-13.99
CCNC(=O)C1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018633	0	42	0.0	-29.85	345.45	6.75	-23.10
CC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012018634	0	38	0.0	-25.01	322.12	8.87	-16.14
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018635	0	42	0.0	-29.00	346.32	8.74	-20.26
CC(C)(C)C1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CN=C1	REAL300012018636	0	43	0.0	-26.51	336.80	8.09	-18.42
CC(F)(F)CC([NH2+]CC1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300012018637	0	35	0.0	-25.38	323.22	9.70	-15.68
CC(F)(F)CC([NH2+]CC1=NN(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300012018638	0	35	0.0	-29.46	309.89	6.72	-22.74
CC(F)(F)CC([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C(=O)[O-]	REAL300012018639	0	42	0.0	-24.40	339.24	9.69	-14.71
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012018641	0	39	0.0	-31.64	340.27	8.20	-23.44
COC1=NC(Cl)=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018642	0	35	0.0	-24.77	310.13	4.83	-19.94
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012018643	0	35	0.0	-33.94	304.95	6.47	-27.47
CC(F)(F)CC([NH2+]CC1=CC=CC(C(F)F)=C1F)C(=O)[O-]	REAL300012018644	0	35	0.0	-35.32	306.20	8.59	-26.73
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018645	0	45	0.0	-32.80	381.11	10.35	-22.45
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018646	0	39	0.0	-26.02	334.35	8.44	-17.58
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012018647	0	39	0.0	-26.07	345.42	8.15	-17.92
CC(F)(F)CC([NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300012018649	0	39	0.0	-26.45	327.82	7.49	-18.96
CC(F)(F)CC([NH2+]CC1=C(Br)C=CC=C1OC(F)F)C(=O)[O-]	REAL300012018650	0	36	0.0	-24.10	319.11	7.65	-16.45
CC(F)(F)CC([NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012018651	0	34	0.0	-32.61	300.87	8.36	-24.25
CC(F)(F)CC([NH2+]CC1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300012018652	0	45	0.0	-26.40	352.26	8.71	-17.69
CC(F)(F)CC([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012018653	0	39	0.0	-28.24	341.48	9.14	-19.10
CC(F)(F)CC([NH2+]CC1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300012018654	0	32	0.0	-24.91	299.52	8.33	-16.58
CN(CCO)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=N1	REAL300012018655	0	43	0.0	-27.71	345.83	5.18	-22.53
COC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012018656	0	48	0.0	-24.54	361.31	9.40	-15.14
CN1C=C(Br)N=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018657	0	32	0.0	-32.23	287.61	6.48	-25.75
COC1=CC(C)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1O	REAL300012018658	0	40	0.0	-29.22	322.53	5.38	-23.84
CC(F)(F)CC([NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C(=O)[O-]	REAL300012018659	0	38	0.0	-26.49	323.00	6.74	-19.75
CN1C(=O)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC2=CC=CC=C21	REAL300012018660	0	41	0.0	-26.16	332.73	8.39	-17.77
CC1=CC(C)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C)=C1Br	REAL300012018661	0	41	0.0	-24.16	331.74	9.64	-14.52
CC(F)(F)CC([NH2+]CC=CC1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300012018662	0	39	0.0	-33.07	324.72	7.59	-25.48
CC(F)(F)CC([NH2+]CC1=CC=C(CC2CCC2)C=C1)C(=O)[O-]	REAL300012018663	0	45	0.0	-25.56	358.60	11.17	-14.39
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018664	0	42	0.0	-28.04	361.59	8.36	-19.68
CC(F)(F)CC([NH2+]CC1=C(F)C=CC(Cl)=C1F)C(=O)[O-]	REAL300012018665	0	32	0.0	-24.98	293.04	8.16	-16.82
CC(C)(C)OC(=O)NC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1	REAL300012018666	0	49	0.0	-28.39	387.50	7.83	-20.56
CC(F)(F)CC([NH2+]CC1=CC=NN1C1CC1(F)F)C(=O)[O-]	REAL300012018667	0	36	0.0	-30.74	309.95	7.16	-23.58
CC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012018668	0	35	0.0	-29.80	306.83	7.43	-22.37
CC(F)(F)CC([NH2+]CC1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300012018669	0	38	0.0	-26.04	320.69	9.17	-16.87
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C(=O)[O-]	REAL300012018670	0	38	0.0	-27.03	328.33	8.37	-18.66
CN1C=C(C2=NNC=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=N1	REAL300012018671	0	39	0.0	-27.78	325.35	5.24	-22.54
CCCN1N=C(C)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1Cl	REAL300012018672	0	41	0.0	-22.74	346.86	7.86	-14.88
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])S1	REAL300012018673	0	38	0.0	-29.94	332.07	6.92	-23.02
COC1=CC=C(Br)C(F)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018674	0	36	0.0	-25.08	321.67	7.65	-17.43
CC(F)(F)CC([NH2+]CC1=C(F)C=C(C#N)C=C1Br)C(=O)[O-]	REAL300012018675	0	33	0.0	-27.17	311.79	8.54	-18.63
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C(=O)[O-]	REAL300012018676	0	39	0.0	-25.98	330.96	10.02	-15.96
CC(F)(F)CC([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300012018677	0	38	0.0	-25.97	319.83	10.13	-15.84
CC(F)(F)CC([NH2+]CC1=CC=C(Cl)C(Br)=C1F)C(=O)[O-]	REAL300012018678	0	32	0.0	-31.61	307.45	8.76	-22.85
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OC1CCCCC1)C(=O)[O-]	REAL300012018679	0	49	0.0	-22.25	376.40	10.48	-11.77
CC(F)(F)CC([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300012018680	0	43	0.0	-28.38	373.28	11.01	-17.37
CC(F)(F)CC([NH2+]CC1=CC=CC=C1COC1CCCCC1)C(=O)[O-]	REAL300012018681	0	52	0.0	-23.21	395.54	11.09	-12.12
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012018682	0	46	0.0	-24.79	392.00	11.46	-13.33
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2)=C1	REAL300012018683	0	47	0.0	-30.85	386.04	9.80	-21.05
CCN1CCCC2=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C21	REAL300012018684	0	47	0.0	-24.84	354.21	8.58	-16.26
COCC1=CN=C(OC)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018685	0	42	0.0	-28.04	345.29	4.13	-23.91
CN1N=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1Br	REAL300012018686	0	32	0.0	-25.17	288.98	5.82	-19.35
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018687	0	47	0.0	-28.94	384.60	10.38	-18.56
COC1=C(Br)C=CC(F)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018688	0	36	0.0	-23.77	321.48	7.70	-16.07
CC(F)(F)CC([NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012018689	0	45	0.0	-25.52	374.29	12.29	-13.23
CC(F)(F)CC([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C(=O)[O-]	REAL300012018690	0	36	0.0	-26.41	323.89	9.10	-17.31
CC(F)(F)CC([NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300012018691	0	46	0.0	-27.26	395.50	11.45	-15.81
CC(F)(F)CC([NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C(=O)[O-]	REAL300012018692	0	45	0.0	-28.67	360.66	8.33	-20.34
CC(F)(F)CC([NH2+]CC1=CC=C(Br)C=C1OC(F)F)C(=O)[O-]	REAL300012018693	0	36	0.0	-27.78	325.44	7.88	-19.90
CC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012018694	0	38	0.0	-23.30	324.08	9.68	-13.62
CC(F)(F)CC([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C(=O)[O-]	REAL300012018695	0	38	0.0	-30.02	320.86	5.78	-24.24
COC1=CC=C(F)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1OC	REAL300012018696	0	40	0.0	-26.31	333.15	7.00	-19.31
COC1=CC(OC)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C2=NC(Cl)=CC=C12	REAL300012018697	0	45	0.0	-25.10	378.52	7.29	-17.81
CN1C=CC(C2=NNC=C2C[NH2+]C(CC(C)(F)F)C(=O)[O-])=N1	REAL300012018698	0	39	0.0	-30.13	321.33	5.85	-24.28
CC1=CC=C(F)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1Br	REAL300012018699	0	35	0.0	-23.30	307.89	8.72	-14.58
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OCCC1CCCCC1)C(=O)[O-]	REAL300012018700	0	55	0.0	-23.39	419.63	11.94	-11.45
CC(F)(F)CC([NH2+]CC1=CC=CC(OCC2CCC2)=C1)C(=O)[O-]	REAL300012018701	0	46	0.0	-25.40	367.09	10.00	-15.40
CC(F)(F)CC([NH2+]CC1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300012018702	0	38	0.0	-30.19	307.97	9.19	-21.00
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OCCO	REAL300012018703	0	44	0.0	-31.56	357.37	4.63	-26.93
CCN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2CC2)=N1	REAL300012018704	0	42	0.0	-28.07	342.51	8.42	-19.65
COC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1OCCO	REAL300012018705	0	44	0.0	-32.76	359.46	4.67	-28.09
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012018706	0	42	0.0	-32.67	350.19	6.53	-26.14
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012018707	0	51	0.0	-31.70	403.08	8.22	-23.48
CC(F)(F)CC([NH2+]CC1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300012018708	0	35	0.0	-32.20	300.80	8.75	-23.45
CC(F)(F)CC([NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F)C(=O)[O-]	REAL300012018709	0	39	0.0	-30.24	342.52	8.42	-21.82
COC1=CSC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1OC	REAL300012018710	0	37	0.0	-26.47	319.01	5.66	-20.81
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1)C(=O)[O-]	REAL300012018711	0	41	0.0	-29.28	364.81	9.38	-19.90
CC(F)(F)CC([NH2+]CC1=C(Br)C=CC2=C1OCO2)C(=O)[O-]	REAL300012018712	0	35	0.0	-25.64	310.36	6.76	-18.88
CC(F)(F)CC([NH2+]CC1=C(S(C)(=O)=O)C=CS1)C(=O)[O-]	REAL300012018713	0	35	0.0	-27.46	302.79	4.72	-22.74
CC(F)(F)CC([NH2+]CC1=CC(S(C)(=O)=O)=CO1)C(=O)[O-]	REAL300012018714	0	35	0.0	-35.27	311.31	3.23	-32.04
CC(F)(F)CC([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300012018715	0	35	0.0	-29.84	310.54	8.65	-21.19
CC(C)OC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1F	REAL300012018716	0	42	0.0	-28.09	342.98	8.57	-19.52
CC(F)(F)CC([NH2+]CC1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300012018717	0	32	0.0	-31.38	291.97	8.19	-23.19
CC(F)(F)CC([NH2+]CC1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300012018718	0	38	0.0	-29.23	316.77	9.86	-19.37
CC(F)(F)CC([NH2+]CC1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300012018719	0	35	0.0	-32.73	318.47	4.22	-28.51
CC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=NN1C1CCC1	REAL300012018720	0	42	0.0	-28.27	334.34	8.01	-20.26
CC(F)(F)CC([NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1)C(=O)[O-]	REAL300012018721	0	39	0.0	-29.44	343.05	9.38	-20.06
CC1=NN(C2CCCC2)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018722	0	45	0.0	-26.92	355.70	8.74	-18.18
CC(F)(F)CC([NH2+]CC1=C(Br)C=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012018723	0	32	0.0	-23.94	316.44	8.45	-15.49
CC(F)(F)CC([NH2+]CC1=CC=C(Br)C=C1OC1CC1)C(=O)[O-]	REAL300012018724	0	40	0.0	-23.48	347.99	9.30	-14.18
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018725	0	42	0.0	-27.57	348.28	8.32	-19.25
CC(F)(F)CC([NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F)C(=O)[O-]	REAL300012018726	0	35	0.0	-31.32	308.49	9.10	-22.22
CC(F)(F)CC([NH2+]CC1=C(F)C=CC(Br)=C1Cl)C(=O)[O-]	REAL300012018727	0	32	0.0	-24.65	306.35	8.65	-16.00
CC(F)(F)CC([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C(=O)[O-]	REAL300012018728	0	39	0.0	-28.73	330.64	8.87	-19.86
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018729	0	39	0.0	-22.75	320.08	5.71	-17.04
COC1=NC(C)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C)=C1Cl	REAL300012018730	0	41	0.0	-24.34	337.84	5.72	-18.62
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018731	0	41	0.0	-31.25	342.52	7.98	-23.27
CC(F)(F)CC([NH2+]CC1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300012018732	0	36	0.0	-28.12	312.17	7.06	-21.06
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018733	0	48	0.0	-27.53	371.83	9.28	-18.25
CC(F)(F)CC([NH2+]CC1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300012018734	0	43	0.0	-27.03	341.67	6.26	-20.77
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018735	0	46	0.0	-28.37	362.62	6.87	-21.50
CC(F)(F)CC([NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012018736	0	37	0.0	-25.09	328.48	8.79	-16.30
CC(F)(F)CC([NH2+]CC1=NN(C2CCCC2)C=C1)C(=O)[O-]	REAL300012018737	0	42	0.0	-23.99	332.03	7.97	-16.02
CC(F)(F)CC([NH2+]CC1=CC(S(N)(=O)=O)=CS1)C(=O)[O-]	REAL300012018738	0	34	0.0	-33.18	313.42	1.65	-31.53
CC(F)(F)CC([NH2+]CC1=NC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300012018739	0	31	0.0	-22.93	293.47	6.75	-16.18
CC(F)(F)CC([NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300012018740	0	47	0.0	-31.72	372.04	7.11	-24.61
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018741	0	45	0.0	-27.67	352.89	8.68	-18.99
CC1=CC(Br)=C(F)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018742	0	35	0.0	-28.72	311.92	8.90	-19.82
CC(F)(F)CC([NH2+]CC1=CC=C(Br)C(Cl)=C1F)C(=O)[O-]	REAL300012018743	0	32	0.0	-31.49	307.60	8.76	-22.73
COC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1Br	REAL300012018744	0	36	0.0	-28.19	309.96	7.48	-20.71
CC(F)(F)CC([NH2+]CC1=CC=C(Cl)C(F)=C1F)C(=O)[O-]	REAL300012018745	0	32	0.0	-31.87	292.41	8.20	-23.67
CN1C=C(C2=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C2)C=N1	REAL300012018746	0	42	0.0	-30.11	347.61	8.92	-21.19
COC1=CC(F)=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1Br	REAL300012018747	0	36	0.0	-27.95	321.93	7.65	-20.30
CC(F)(F)CC([NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)C(=O)[O-]	REAL300012018748	0	42	0.0	-35.78	354.05	10.05	-25.73
CC1=CC=C(Br)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018749	0	35	0.0	-23.00	300.01	8.70	-14.30
COC1=NC2=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C2S1	REAL300012018750	0	38	0.0	-28.99	332.02	5.48	-23.51
CC(F)(F)CC([NH2+]CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012018751	0	31	0.0	-27.00	281.74	6.32	-20.68
CC(F)(F)CC([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C(=O)[O-]	REAL300012018752	0	32	0.0	-25.99	299.71	8.63	-17.36
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018753	0	48	0.0	-25.14	379.28	9.98	-15.16
CC(F)(F)CC([NH2+]CC1=CC(Br)=CC(Cl)=C1F)C(=O)[O-]	REAL300012018754	0	32	0.0	-27.07	307.39	8.74	-18.33
COC1=CC(Cl)=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018755	0	36	0.0	-26.87	313.84	7.47	-19.40
CC(F)(F)CC([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C(=O)[O-]	REAL300012018756	0	35	0.0	-25.46	319.05	8.99	-16.47
COC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC(F)=C1F	REAL300012018757	0	36	0.0	-32.36	309.63	7.09	-25.27
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018758	0	39	0.0	-26.78	327.99	5.17	-21.61
COC(=O)C1=C(C)NC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1C	REAL300012018759	0	42	0.0	-29.26	351.15	7.33	-21.93
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C2C1	REAL300012018760	0	56	0.0	-30.63	433.51	10.85	-19.78
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018761	0	38	0.0	-24.01	318.85	9.24	-14.77
CC(F)(F)CC([NH2+]CC1=C(O)C=CC(F)=C1Br)C(=O)[O-]	REAL300012018762	0	33	0.0	-23.97	301.07	5.40	-18.57
CC(F)(F)CC([NH2+]CC1=C(Cl)C=CC2=C1OCO2)C(=O)[O-]	REAL300012018763	0	35	0.0	-26.08	306.34	6.68	-19.40
CC(F)(F)CC([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300012018764	0	48	0.0	-25.27	369.34	11.46	-13.81
CC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])SC(Br)=C1	REAL300012018765	0	32	0.0	-22.38	294.33	7.97	-14.41
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018766	0	42	0.0	-26.30	335.31	8.00	-18.30
CC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=NN1CC(F)F	REAL300012018767	0	38	0.0	-28.20	319.83	6.99	-21.21
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300012018768	0	40	0.0	-30.46	336.67	7.99	-22.47
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018769	0	41	0.0	-21.12	343.97	7.93	-13.19
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018770	0	44	0.0	-31.30	365.63	9.73	-21.57
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018771	0	39	0.0	-27.33	328.48	6.84	-20.49
CC(F)(F)CC([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012018772	0	45	0.0	-26.27	368.19	12.05	-14.22
CC(F)(F)CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1Br)C(=O)[O-]	REAL300012018773	0	32	0.0	-23.78	308.54	9.02	-14.76
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=C1	REAL300012018774	0	48	0.0	-28.54	384.81	8.86	-19.68
CCN(C)C1=CC=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C)=C1	REAL300012018775	0	46	0.0	-23.58	350.61	9.46	-14.12
CC(F)(F)CC([NH2+]CC1=CC(Cl)=CN=C1Br)C(=O)[O-]	REAL300012018776	0	31	0.0	-24.89	288.93	6.68	-18.21
CC(F)(F)CC([NH2+]CC1=C(Cl)C(Cl)=CS1)C(=O)[O-]	REAL300012018777	0	29	0.0	-26.78	289.06	7.69	-19.09
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018778	0	53	0.0	-23.88	394.01	9.70	-14.18
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018779	0	43	0.0	-25.58	345.33	7.04	-18.54
CC(F)(F)CC([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300012018780	0	36	0.0	-26.52	327.43	7.94	-18.58
CC(F)(F)CC([NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C(=O)[O-]	REAL300012018781	0	42	0.0	-28.56	354.82	10.44	-18.12
CC(F)(F)CC([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300012018782	0	41	0.0	-28.59	334.81	9.26	-19.33
CC(C)(C)[Si](C)(C)OC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CC=C1	REAL300012018783	0	54	0.0	-25.94	426.42	12.55	-13.39
CC1=CC=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1C(F)(F)F	REAL300012018784	0	38	0.0	-29.98	312.39	9.28	-20.70
CC(F)(F)CC([NH2+]CC1=CC=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300012018785	0	35	0.0	-26.43	317.40	9.04	-17.39
CC(F)(F)CC([NH2+]CC1=CC2=NC=C(Br)C=C2O1)C(=O)[O-]	REAL300012018786	0	34	0.0	-26.67	310.19	6.93	-19.74
CC(F)(F)CC([NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1)C(=O)[O-]	REAL300012018787	0	37	0.0	-30.60	331.99	7.97	-22.63
CC(F)(F)CC([NH2+]CC1=CC2=C(CCOC2)N=C1Cl)C(=O)[O-]	REAL300012018788	0	39	0.0	-24.73	328.53	6.32	-18.41
CC(F)(F)CC([NH2+]CC1=CC2=CC(Br)=CC=C2S1)C(=O)[O-]	REAL300012018789	0	35	0.0	-27.47	326.14	9.79	-17.68
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018790	0	45	0.0	-30.99	364.88	10.12	-20.87
CC(F)(F)CC([NH2+]CC1=CC=CC(C(C)(F)F)=N1)C(=O)[O-]	REAL300012018791	0	37	0.0	-29.72	314.51	7.53	-22.19
CC(F)(F)CC([NH2+]CC1=CC(Br)=CC(F)=C1F)C(=O)[O-]	REAL300012018792	0	32	0.0	-29.05	299.59	8.38	-20.67
CC(F)(F)CC([NH2+]CC1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300012018793	0	32	0.0	-26.59	306.05	8.71	-17.88
CC(F)(F)CC([NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012018794	0	34	0.0	-32.45	317.12	8.95	-23.50
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018795	0	39	0.0	-26.97	326.90	9.50	-17.47
COC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=CC(Br)=C1F	REAL300012018796	0	36	0.0	-23.87	321.77	7.65	-16.22
CC(F)(F)CC([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C(=O)[O-]	REAL300012018797	0	35	0.0	-24.48	308.88	8.61	-15.87
CC(F)(F)CC([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C(=O)[O-]	REAL300012018798	0	38	0.0	-33.43	319.86	7.55	-25.88
CC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C=CC2=CC=CC=C12	REAL300012018799	0	41	0.0	-25.21	321.12	10.28	-14.93
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018800	0	50	0.0	-27.43	392.06	9.27	-18.16
CC(F)(F)CC([NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C(=O)[O-]	REAL300012018801	0	38	0.0	-29.26	332.04	10.41	-18.85
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018802	0	40	0.0	-27.12	327.19	7.02	-20.10
CC(F)(F)CC([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C(=O)[O-]	REAL300012018803	0	45	0.0	-27.53	355.22	4.66	-22.87
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC(C)(F)F)C(=O)[O-]	REAL300012018804	0	44	0.0	-27.40	355.99	6.32	-21.08
CC(F)(F)CC([NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1)C(=O)[O-]	REAL300012018805	0	49	0.0	-26.69	377.51	9.48	-17.21
CC(F)(F)CC([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F)C(=O)[O-]	REAL300012018806	0	46	0.0	-24.55	381.17	11.16	-13.39
CC1=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012018807	0	40	0.0	-24.10	318.83	8.65	-15.45
CC1=CC(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012018808	0	41	0.0	-30.36	337.99	8.91	-21.45
COC(=O)C1=CN(C)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1	REAL300012018809	0	39	0.0	-27.93	326.73	7.70	-20.23
COC1=CC=C(Br)C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])=C1O	REAL300012018810	0	37	0.0	-26.50	323.24	5.29	-21.21
CN1C=C(C[NH2+]C(CC(C)(F)F)C(=O)[O-])C(C2CCC2)=N1	REAL300012018811	0	42	0.0	-28.48	338.56	8.05	-20.43
CC1=CC=C(N2C=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012018812	0	57	0.0	-27.19	434.78	11.82	-15.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012018813	0	40	0.0	-33.66	330.76	8.19	-25.47
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012018814	0	53	0.0	-32.06	429.34	10.90	-21.16
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018815	0	45	0.0	-28.85	390.77	9.93	-18.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012018816	0	52	0.0	-29.47	420.04	12.16	-17.31
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012018817	0	47	0.0	-30.54	367.24	10.19	-20.35
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012018818	0	42	0.0	-27.16	344.92	7.58	-19.58
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012018819	0	32	0.0	-34.30	293.45	6.73	-27.57
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018820	0	45	0.0	-30.95	369.46	9.59	-21.36
N#CCCN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012018821	0	49	0.0	-35.14	411.60	10.29	-24.85
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012018822	0	43	0.0	-34.84	359.47	7.35	-27.49
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012018823	0	51	0.0	-33.53	416.02	10.34	-23.19
CCCOC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018824	0	45	0.0	-26.53	383.77	9.51	-17.02
CCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC	REAL300012018825	0	46	0.0	-34.96	371.63	7.98	-26.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012018826	0	49	0.0	-26.02	399.84	11.11	-14.91
CCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012018827	0	51	0.0	-31.89	405.56	10.41	-21.48
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012018828	0	44	0.0	-43.45	378.12	10.39	-33.06
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012018829	0	44	0.0	-35.86	379.46	10.42	-25.44
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Br	REAL300012018830	0	39	0.0	-35.05	339.56	7.79	-27.26
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018831	0	45	0.0	-24.31	356.76	8.64	-15.67
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012018832	0	52	0.0	-31.56	414.58	9.51	-22.05
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012018833	0	49	0.0	-34.75	393.06	8.79	-25.96
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012018834	0	47	0.0	-35.08	384.47	8.57	-26.51
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012018835	0	58	0.0	-31.42	457.57	11.07	-20.35
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012018836	0	42	0.0	-30.19	366.68	10.23	-19.96
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012018837	0	42	0.0	-31.21	368.16	10.31	-20.90
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012018838	0	42	0.0	-31.20	375.55	11.10	-20.10
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012018839	0	45	0.0	-37.24	375.20	9.54	-27.70
CCC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012018840	0	44	0.0	-28.92	360.80	9.77	-19.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012018841	0	44	0.0	-44.80	375.33	11.05	-33.75
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012018842	0	41	0.0	-28.76	360.96	8.68	-20.08
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012018843	0	39	0.0	-25.69	335.62	7.66	-18.03
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012018844	0	39	0.0	-31.91	347.43	9.33	-22.58
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012018845	0	42	0.0	-26.80	349.66	5.47	-21.33
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Cl)=C1	REAL300012018846	0	39	0.0	-24.74	331.00	7.46	-17.28
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012018847	0	39	0.0	-32.28	337.03	7.66	-24.62
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012018848	0	44	0.0	-35.15	384.85	11.18	-23.97
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012018849	0	44	0.0	-32.59	383.90	11.22	-21.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012018850	0	42	0.0	-28.83	353.76	7.71	-21.12
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012018851	0	45	0.0	-29.65	363.70	8.14	-21.51
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012018852	0	39	0.0	-32.25	325.00	6.66	-25.59
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012018853	0	46	0.0	-28.86	376.82	6.94	-21.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012018854	0	38	0.0	-27.90	327.88	9.18	-18.72
CCOC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012018855	0	54	0.0	-31.78	426.95	8.43	-23.35
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012018856	0	41	0.0	-32.34	337.03	8.36	-23.98
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])O2)C=C1	REAL300012018857	0	45	0.0	-29.64	371.36	10.38	-19.26
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])O1	REAL300012018858	0	42	0.0	-27.30	339.81	6.33	-20.97
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012018859	0	41	0.0	-29.19	339.88	5.82	-23.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012018860	0	48	0.0	-34.31	390.72	6.77	-27.54
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012018861	0	50	0.0	-34.25	399.36	8.47	-25.78
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012018862	0	42	0.0	-30.68	363.08	10.58	-20.10
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012018863	0	40	0.0	-26.46	330.78	8.33	-18.13
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012018864	0	48	0.0	-27.06	391.51	9.37	-17.69
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018865	0	44	0.0	-33.53	361.84	6.80	-26.73
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012018866	0	42	0.0	-38.11	349.39	9.07	-29.04
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012018867	0	41	0.0	-40.27	344.25	10.40	-29.87
CC(C)N1N=CC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=C(Cl)N=C21	REAL300012018868	0	46	0.0	-33.74	385.33	8.77	-24.97
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012018869	0	42	0.0	-29.71	374.48	11.12	-18.59
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012018870	0	52	0.0	-38.67	426.36	9.27	-29.40
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012018871	0	42	0.0	-30.39	366.92	10.78	-19.61
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012018872	0	38	0.0	-28.17	340.36	9.25	-18.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012018873	0	35	0.0	-25.54	310.09	8.32	-17.22
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012018874	0	35	0.0	-35.04	312.24	8.39	-26.65
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012018875	0	38	0.0	-37.96	335.35	8.91	-29.05
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012018876	0	42	0.0	-33.04	341.00	8.06	-24.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012018877	0	35	0.0	-24.65	318.26	8.68	-15.97
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012018878	0	38	0.0	-34.08	325.96	8.93	-25.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012018879	0	35	0.0	-35.95	308.70	8.00	-27.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012018880	0	38	0.0	-34.27	336.10	8.93	-25.34
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012018881	0	38	0.0	-29.71	332.08	8.77	-20.94
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Cl)=C1OC	REAL300012018882	0	43	0.0	-27.29	365.58	7.58	-19.71
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012018883	0	38	0.0	-29.89	328.42	9.40	-20.49
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012018884	0	35	0.0	-35.79	313.56	8.44	-27.35
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018885	0	51	0.0	-27.60	423.59	11.07	-16.53
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012018886	0	39	0.0	-28.81	345.61	7.95	-20.86
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012018887	0	42	0.0	-31.32	373.41	11.02	-20.30
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=C2)=C1	REAL300012018888	0	50	0.0	-33.06	421.79	11.43	-21.63
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012018889	0	45	0.0	-39.85	369.60	6.40	-33.45
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012018890	0	46	0.0	-37.78	389.82	8.41	-29.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012018891	0	48	0.0	-35.94	395.86	9.34	-26.60
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018892	0	44	0.0	-28.10	354.04	7.36	-20.74
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012018893	0	41	0.0	-31.37	354.51	7.58	-23.79
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012018894	0	45	0.0	-40.04	389.17	9.99	-30.05
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018895	0	44	0.0	-28.31	371.07	7.82	-20.49
COCCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012018896	0	46	0.0	-35.43	374.63	7.33	-28.10
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Cl	REAL300012018897	0	39	0.0	-35.12	335.18	7.68	-27.44
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012018898	0	40	0.0	-30.52	349.98	6.74	-23.78
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018899	0	47	0.0	-27.27	369.27	9.34	-17.93
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012018900	0	51	0.0	-35.74	407.76	7.76	-27.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012018901	0	42	0.0	-35.87	360.57	8.52	-27.35
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012018902	0	41	0.0	-26.44	331.75	6.93	-19.51
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012018903	0	44	0.0	-26.49	348.65	7.75	-18.74
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018904	0	47	0.0	-27.54	378.96	9.80	-17.74
CCCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012018905	0	45	0.0	-33.31	363.82	8.90	-24.41
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012018906	0	42	0.0	-29.92	357.03	10.39	-19.53
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012018907	0	49	0.0	-33.35	385.06	10.07	-23.28
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012018908	0	45	0.0	-31.70	360.24	8.73	-22.97
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012018909	0	48	0.0	-36.72	395.79	10.31	-26.41
CC1=CC=C(C2=NC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CS2)C=C1	REAL300012018910	0	44	0.0	-27.93	375.96	9.29	-18.64
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012018912	0	49	0.0	-29.58	404.65	11.21	-18.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012018913	0	45	0.0	-29.48	387.47	8.17	-21.31
CC1=CC=C(OCC2=NC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CS2)C=C1	REAL300012018914	0	48	0.0	-29.41	408.87	8.84	-20.57
COC1=CC=C(OCC2=NC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CS2)C=C1	REAL300012018915	0	49	0.0	-30.84	416.96	7.46	-23.38
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012018917	0	38	0.0	-27.70	345.59	7.55	-20.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012018918	0	42	0.0	-32.24	363.08	10.58	-21.66
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018919	0	49	0.0	-30.51	394.88	8.60	-21.91
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012018920	0	49	0.0	-25.13	384.72	10.07	-15.06
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012018921	0	52	0.0	-28.99	420.97	8.64	-20.35
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])S2)C=C1	REAL300012018922	0	45	0.0	-30.27	378.91	11.22	-19.05
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012018923	0	41	0.0	-34.45	357.08	8.10	-26.35
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018924	0	39	0.0	-25.49	351.16	8.16	-17.33
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012018925	0	35	0.0	-24.58	322.82	8.79	-15.79
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012018926	0	35	0.0	-25.00	323.99	8.86	-16.14
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012018927	0	46	0.0	-32.02	391.23	10.81	-21.21
CCOC1=C(OC)C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012018928	0	50	0.0	-34.88	403.46	7.88	-27.00
COCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012018929	0	49	0.0	-35.50	397.50	7.97	-27.53
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CN=C1Cl	REAL300012018930	0	37	0.0	-30.71	320.16	6.99	-23.72
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012018931	0	43	0.0	-28.69	356.19	6.64	-22.05
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012018932	0	39	0.0	-29.69	342.98	7.92	-21.77
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012018933	0	55	0.0	-35.29	445.22	12.70	-22.59
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012018934	0	48	0.0	-32.16	396.28	9.68	-22.48
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012018935	0	53	0.0	-30.97	432.68	9.08	-21.89
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])S2)C=C1	REAL300012018936	0	44	0.0	-29.87	375.25	9.43	-20.44
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012018937	0	40	0.0	-26.93	347.45	8.84	-18.09
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012018938	0	40	0.0	-25.62	334.21	8.30	-17.32
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012018939	0	40	0.0	-26.79	335.83	8.36	-18.43
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012018940	0	40	0.0	-25.23	343.05	8.68	-16.55
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012018941	0	42	0.0	-36.78	365.74	9.93	-26.85
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])O1	REAL300012018942	0	45	0.0	-30.37	376.91	10.46	-19.91
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])O2)C=C1	REAL300012018943	0	48	0.0	-29.45	392.84	11.15	-18.30
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(OC(F)F)=C1	REAL300012018944	0	43	0.0	-28.90	356.19	6.65	-22.25
COC1=CC=C2OC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC2=C1	REAL300012018945	0	42	0.0	-33.47	348.34	7.61	-25.86
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012018946	0	39	0.0	-34.95	337.41	9.65	-25.30
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012018947	0	41	0.0	-28.74	338.65	8.98	-19.76
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012018948	0	43	0.0	-30.66	356.48	9.58	-21.08
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Br	REAL300012018949	0	38	0.0	-30.43	330.46	9.06	-21.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012018950	0	39	0.0	-39.64	333.92	9.26	-30.38
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1Br	REAL300012018951	0	38	0.0	-28.60	328.33	8.91	-19.69
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012018952	0	42	0.0	-34.43	349.87	8.92	-25.51
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012018953	0	40	0.0	-27.02	343.47	8.15	-18.87
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012018954	0	39	0.0	-33.67	329.38	7.82	-25.85
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012018955	0	39	0.0	-30.88	327.12	7.74	-23.14
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=N1	REAL300012018956	0	41	0.0	-33.02	340.00	5.39	-27.63
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012018957	0	43	0.0	-33.28	350.89	9.03	-24.25
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1Cl	REAL300012018958	0	38	0.0	-28.67	324.29	8.84	-19.83
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012018959	0	37	0.0	-34.28	322.83	7.35	-26.93
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])O2)C=C1	REAL300012018960	0	54	0.0	-29.23	426.07	12.03	-17.20
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018961	0	55	0.0	-29.39	405.92	10.73	-18.66
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018962	0	55	0.0	-25.84	425.20	10.53	-15.31
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012018963	0	53	0.0	-31.81	424.46	12.60	-19.21
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018964	0	51	0.0	-35.20	424.43	10.78	-24.42
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1F	REAL300012018965	0	49	0.0	-34.73	390.10	9.00	-25.73
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(SC)C=C1OC	REAL300012018966	0	47	0.0	-27.37	383.96	7.89	-19.48
COC1=CC=C2N=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])SC2=C1	REAL300012018967	0	41	0.0	-28.71	351.31	6.57	-22.14
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018968	0	41	0.0	-26.49	352.80	8.62	-17.87
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1C#N	REAL300012018969	0	40	0.0	-34.10	338.54	7.44	-26.66
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012018970	0	39	0.0	-32.41	340.85	9.13	-23.28
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018971	0	41	0.0	-28.37	335.62	9.28	-19.09
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012018972	0	39	0.0	-36.33	336.45	7.52	-28.81
CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N=C1	REAL300012018973	0	41	0.0	-32.16	336.07	6.13	-26.03
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018974	0	41	0.0	-29.10	344.84	9.45	-19.65
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012018975	0	43	0.0	-34.91	368.35	7.67	-27.24
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018976	0	51	0.0	-31.45	431.32	11.02	-20.43
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC(C)C	REAL300012018977	0	52	0.0	-33.97	411.91	9.42	-24.55
CCCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC	REAL300012018978	0	49	0.0	-34.19	391.81	8.74	-25.45
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)S1	REAL300012018979	0	32	0.0	-29.85	301.56	7.60	-22.25
CCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012018980	0	46	0.0	-34.61	390.21	8.59	-26.02
C=CCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012018981	0	43	0.0	-33.69	355.23	8.68	-25.01
COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1OC(C)C	REAL300012018982	0	49	0.0	-26.12	388.99	8.83	-17.29
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012018983	0	46	0.0	-34.84	390.21	8.62	-26.22
CCCOC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=CC=C1OCC	REAL300012018984	0	52	0.0	-26.08	414.97	9.73	-16.35
CCCCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC	REAL300012018985	0	52	0.0	-34.01	413.31	9.52	-24.49
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC	REAL300012018986	0	52	0.0	-34.32	433.56	10.34	-23.98
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018987	0	51	0.0	-28.37	427.00	11.50	-16.87
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC(F)F	REAL300012018988	0	43	0.0	-37.15	358.21	7.31	-29.84
CCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012018989	0	46	0.0	-34.56	381.39	8.26	-26.30
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012018990	0	45	0.0	-31.42	368.29	8.80	-22.62
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])OC(C)C2	REAL300012018991	0	50	0.0	-31.63	398.03	8.76	-22.87
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012018992	0	45	0.0	-33.92	363.35	6.79	-27.13
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012018993	1	44	0.0	-33.11	384.19	9.25	-23.86
CCCCN1N=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Cl	REAL300012018994	0	47	0.0	-29.84	392.66	8.87	-20.97
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1OC(F)F	REAL300012018995	0	46	0.0	-30.04	377.74	8.29	-21.75
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012018996	0	53	0.0	-30.08	423.05	9.89	-20.19
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012018997	0	42	0.0	-29.93	356.67	10.51	-19.42
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012018998	0	49	0.0	-34.62	411.70	9.42	-25.20
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012018999	0	57	0.0	-27.84	442.28	11.84	-16.00
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012019000	0	42	0.0	-35.05	365.99	9.93	-25.12
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012019001	0	51	0.0	-28.58	397.82	9.34	-19.24
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019002	0	47	0.0	-34.23	369.98	10.74	-23.49
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])=N2	REAL300012019003	1	47	0.0	-25.91	375.21	8.46	-17.45
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019004	0	41	0.0	-22.97	336.46	9.29	-13.68
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC2=C1	REAL300012019005	0	44	0.0	-29.81	355.89	9.55	-20.26
CCCC1CCC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])CC1	REAL300012019006	0	50	0.0	-31.28	371.28	10.18	-21.10
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012019007	0	42	0.0	-28.20	364.09	8.16	-20.04
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012019008	0	42	0.0	-37.38	346.99	10.25	-27.13
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012019009	0	42	0.0	-32.30	359.70	9.87	-22.43
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012019010	0	41	0.0	-31.59	350.13	7.46	-24.13
CCCCC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012019011	0	50	0.0	-28.67	404.02	11.29	-17.38
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012019012	0	48	0.0	-38.08	396.62	12.49	-25.59
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012019013	0	50	0.0	-36.21	421.71	10.12	-26.09
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019014	0	48	0.0	-30.58	392.44	9.97	-20.61
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012019015	0	44	0.0	-31.33	367.73	8.21	-23.12
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300012019016	0	49	0.0	-29.11	414.09	11.62	-17.49
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019017	0	42	0.0	-25.92	340.53	7.83	-18.09
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1F	REAL300012019018	0	39	0.0	-37.30	326.69	7.25	-30.05
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012019019	0	44	0.0	-35.83	342.32	8.88	-26.95
CC(C)C1CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])CCO1	REAL300012019020	0	48	0.0	-33.43	362.07	7.91	-25.52
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012019021	0	42	0.0	-41.01	368.12	8.64	-32.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012019022	0	41	0.0	-39.11	367.40	8.39	-30.72
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012019023	0	41	0.0	-31.04	365.21	8.22	-22.82
CCSC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019024	0	42	0.0	-33.55	352.65	9.73	-23.82
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012019025	1	36	0.0	-28.22	320.81	5.55	-22.67
CCN1N=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012019026	0	44	0.0	-28.61	361.47	8.61	-20.00
COCCC1(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])CCCCC1	REAL300012019027	0	51	0.0	-31.24	367.29	8.05	-23.19
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012019028	0	32	0.0	-29.69	318.71	8.11	-21.58
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019029	0	45	0.0	-32.37	363.89	8.89	-23.48
COC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012019030	0	48	0.0	-37.52	403.55	10.29	-27.23
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012019031	0	42	0.0	-36.57	381.81	10.68	-25.89
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019032	0	48	0.0	-30.72	408.53	10.30	-20.42
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012019033	0	42	0.0	-32.66	351.23	9.69	-22.97
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012019034	0	49	0.0	-34.79	389.49	8.62	-26.17
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC	REAL300012019035	0	52	0.0	-34.00	413.66	9.66	-24.34
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012019036	0	40	0.0	-34.13	333.84	9.02	-25.11
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019037	0	45	0.0	-31.20	359.00	8.67	-22.53
CCCCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019038	0	57	0.0	-32.33	449.88	12.01	-20.32
CC(C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012019039	0	56	0.0	-32.35	423.94	12.23	-20.12
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Br)C=CS1	REAL300012019040	0	32	0.0	-25.24	300.66	7.44	-17.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012019041	0	48	0.0	-28.12	370.58	7.22	-20.90
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012019042	0	35	0.0	-25.49	313.66	8.42	-17.07
CC(C)CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019043	0	47	0.0	-30.09	370.85	10.51	-19.58
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=C2)C=C1	REAL300012019044	0	48	0.0	-32.40	385.33	11.90	-20.50
COC1=CC=C(Br)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019045	0	39	0.0	-27.09	332.93	7.61	-19.48
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012019046	0	41	0.0	-38.14	346.56	8.60	-29.54
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012019047	0	35	0.0	-32.01	324.43	8.88	-23.13
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012019048	0	35	0.0	-32.13	312.78	8.41	-23.72
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012019049	0	32	0.0	-30.54	293.44	6.57	-23.97
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019050	0	48	0.0	-30.90	387.02	11.95	-18.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012019051	0	41	0.0	-34.06	367.44	9.83	-24.23
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012019052	0	39	0.0	-34.68	330.22	7.45	-27.23
CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC	REAL300012019053	0	49	0.0	-34.82	393.49	8.90	-25.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012019054	0	35	0.0	-25.41	311.13	8.27	-17.14
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012019055	0	38	0.0	-37.19	342.93	9.27	-27.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012019056	0	35	0.0	-24.95	313.67	8.42	-16.53
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012019057	0	39	0.0	-34.13	336.96	7.67	-26.46
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012019058	0	35	0.0	-26.89	313.28	8.34	-18.55
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019059	0	49	0.0	-32.84	399.25	10.93	-21.91
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012019060	0	45	0.0	-37.96	390.29	10.77	-27.19
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012019061	0	35	0.0	-26.88	312.73	8.33	-18.55
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C12	REAL300012019062	0	45	0.0	-31.54	356.95	9.27	-22.27
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012019063	0	42	0.0	-27.87	346.00	7.64	-20.23
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012019063	1	42	0.0	-26.44	347.99	7.68	-18.76
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019064	0	41	0.0	-27.07	336.07	8.11	-18.96
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Br)=C1O	REAL300012019065	0	40	0.0	-34.23	341.43	5.43	-28.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(Br)=C1	REAL300012019066	0	32	0.0	-32.95	302.62	7.55	-25.40
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012019067	0	52	0.0	-37.76	426.31	9.26	-28.50
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300012019068	0	48	0.0	-30.26	412.15	9.87	-20.39
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012019069	0	53	0.0	-32.25	418.94	10.63	-21.62
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012019070	0	45	0.0	-33.00	365.18	11.28	-21.72
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012019071	0	48	0.0	-28.82	395.77	9.37	-19.45
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012019072	0	46	0.0	-31.86	364.89	7.78	-24.08
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012019073	0	35	0.0	-35.69	317.97	8.54	-27.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012019074	0	44	0.0	-36.84	362.62	9.76	-27.08
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012019075	0	44	0.0	-31.26	360.21	9.45	-21.81
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012019076	0	44	0.0	-35.28	360.38	9.53	-25.75
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019077	0	50	0.0	-29.22	383.10	8.35	-20.87
CN1CCN(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)CC1	REAL300012019078	1	52	0.0	-31.29	398.86	6.54	-24.75
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012019079	0	44	0.0	-35.29	371.05	6.31	-28.98
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019080	0	42	0.0	-40.81	347.51	6.15	-34.66
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012019081	0	42	0.0	-36.49	354.95	9.10	-27.39
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019082	0	48	0.0	-30.81	405.07	10.49	-20.32
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012019083	0	42	0.0	-35.86	365.27	9.55	-26.31
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019084	0	48	0.0	-37.60	399.81	10.15	-27.45
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012019085	0	54	0.0	-31.88	436.82	10.90	-20.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012019086	0	42	0.0	-35.23	360.64	8.51	-26.72
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012019087	0	41	0.0	-31.48	335.75	10.09	-21.39
COC1=C2OC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC2=CC=C1	REAL300012019088	0	42	0.0	-35.78	347.04	7.58	-28.20
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012019089	0	46	0.0	-34.15	374.69	10.33	-23.82
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012019090	0	38	0.0	-34.53	337.07	7.10	-27.43
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019091	0	51	0.0	-34.82	413.27	10.48	-24.34
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019092	0	51	0.0	-36.08	425.13	10.87	-25.21
CCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCC(C)C	REAL300012019093	0	55	0.0	-34.39	435.09	10.38	-24.01
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012019094	0	35	0.0	-25.92	315.69	8.36	-17.56
COC1=CC(Br)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012019095	0	43	0.0	-29.15	359.80	7.44	-21.71
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012019096	0	35	0.0	-25.35	315.69	8.37	-16.98
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(OC)=C1	REAL300012019097	0	43	0.0	-32.24	348.64	6.44	-25.80
COC1=CC2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2C=C1	REAL300012019098	0	45	0.0	-32.72	365.10	9.38	-23.34
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CS1	REAL300012019100	0	32	0.0	-27.53	300.52	7.46	-20.07
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC	REAL300012019101	0	55	0.0	-34.05	435.16	10.44	-23.61
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019102	0	48	0.0	-32.72	386.02	9.91	-22.81
COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1OC(F)F	REAL300012019103	0	43	0.0	-28.87	357.97	7.36	-21.51
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012019104	1	39	0.0	-31.53	351.57	8.43	-23.10
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012019105	0	55	0.0	-30.11	429.93	11.10	-19.01
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012019106	0	41	0.0	-40.57	341.34	6.86	-33.71
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012019108	0	35	0.0	-35.10	316.65	8.49	-26.61
CC1=CC=C(COC2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)C=C1	REAL300012019109	0	52	0.0	-33.56	422.39	11.78	-21.78
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012019110	0	50	0.0	-30.83	382.63	9.10	-21.73
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019111	0	54	0.0	-32.70	427.00	11.20	-21.50
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1SC	REAL300012019112	0	43	0.0	-34.57	359.88	8.22	-26.35
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019113	0	46	0.0	-40.63	383.35	9.37	-31.26
CCCCCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC	REAL300012019114	0	55	0.0	-34.57	436.13	10.34	-24.23
CCC(C)OC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC	REAL300012019115	0	52	0.0	-31.89	410.26	9.34	-22.55
CCCCCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019116	0	57	0.0	-32.67	448.49	11.98	-20.69
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCCCC#N	REAL300012019117	0	50	0.0	-40.25	413.98	9.30	-30.95
C=C(C)COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC	REAL300012019118	0	50	0.0	-34.34	402.63	9.30	-25.04
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCCC(C)C	REAL300012019119	0	55	0.0	-33.87	430.88	10.04	-23.83
C=CCC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(OC)=C1O	REAL300012019120	0	47	0.0	-33.24	385.91	7.01	-26.23
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012019121	0	42	0.0	-32.90	350.38	7.73	-25.17
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019122	0	44	0.0	-33.33	369.18	8.76	-24.57
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019123	0	45	0.0	-33.89	388.37	6.39	-27.50
CCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012019124	0	49	0.0	-38.19	413.06	9.36	-28.83
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012019125	0	41	0.0	-31.27	343.94	7.68	-23.59
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012019126	1	41	0.0	-34.92	352.86	8.59	-26.33
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012019127	0	48	0.0	-35.51	383.69	6.96	-28.55
CN1C=NC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC=C21	REAL300012019128	0	41	0.0	-38.59	338.10	9.17	-29.42
CCN1N=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1C	REAL300012019129	0	44	0.0	-33.42	354.67	7.52	-25.90
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Cl	REAL300012019130	0	43	0.0	-35.14	369.93	9.19	-25.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012019131	0	41	0.0	-29.98	353.85	8.75	-21.23
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012019132	0	47	0.0	-26.23	377.41	7.67	-18.56
CC1(C)CC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC=C2O1	REAL300012019133	0	46	0.0	-30.58	368.40	9.05	-21.53
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012019135	0	38	0.0	-28.59	347.51	7.69	-20.90
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019136	0	45	0.0	-27.98	368.63	8.32	-19.66
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012019137	0	38	0.0	-33.16	345.10	9.32	-23.84
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012019138	0	35	0.0	-25.07	324.98	8.86	-16.21
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Br)=C1	REAL300012019139	0	38	0.0	-24.13	328.68	9.01	-15.12
CC(C)COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019140	0	48	0.0	-32.24	383.99	9.59	-22.65
COCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019141	0	46	0.0	-35.08	376.01	7.36	-27.72
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019142	0	50	0.0	-32.08	418.41	11.46	-20.62
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012019143	0	39	0.0	-35.13	346.25	7.99	-27.14
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012019144	0	43	0.0	-33.57	382.76	9.28	-24.29
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Cl	REAL300012019145	0	45	0.0	-28.59	385.61	9.35	-19.24
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])OCO2	REAL300012019146	0	42	0.0	-32.92	343.87	5.84	-27.08
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012019147	0	40	0.0	-29.87	322.28	8.07	-21.80
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019148	0	48	0.0	-33.17	383.92	9.59	-23.58
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019149	0	38	0.0	-27.04	320.35	8.86	-18.18
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012019150	0	39	0.0	-35.69	327.09	9.20	-26.49
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012019151	0	34	0.0	-30.36	307.15	6.62	-23.74
CN1N=NC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC=C21	REAL300012019152	0	40	0.0	-34.32	334.97	6.25	-28.07
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=C2O1	REAL300012019153	0	46	0.0	-24.63	366.08	8.95	-15.68
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012019154	0	40	0.0	-26.97	348.03	8.26	-18.71
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012019155	0	45	0.0	-30.74	369.23	8.92	-21.82
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012019156	0	42	0.0	-38.93	348.00	9.02	-29.91
CC1=C(Br)SC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019157	0	35	0.0	-29.56	322.53	8.30	-21.26
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012019158	0	40	0.0	-25.20	347.12	8.77	-16.43
CC1=NC2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2C=C1	REAL300012019159	0	43	0.0	-33.78	352.35	8.81	-24.97
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)C=C1	REAL300012019160	0	50	0.0	-34.74	409.25	10.00	-24.74
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012019161	0	37	0.0	-29.10	310.22	6.76	-22.34
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)=C1	REAL300012019162	0	51	0.0	-32.64	407.99	12.61	-20.03
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012019163	0	44	0.0	-36.48	359.89	11.33	-25.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012019164	0	38	0.0	-32.98	325.28	8.40	-24.58
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012019165	0	42	0.0	-37.35	354.08	8.37	-28.98
COCC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019166	0	42	0.0	-33.32	346.03	7.59	-25.73
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019167	0	45	0.0	-30.58	386.19	10.11	-20.47
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012019168	0	49	0.0	-30.62	408.66	11.15	-19.47
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019169	0	48	0.0	-24.39	381.82	9.60	-14.79
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012019170	0	46	0.0	-33.41	390.31	11.92	-21.49
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012019171	0	45	0.0	-26.93	365.80	8.59	-18.34
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012019172	0	46	0.0	-31.01	364.47	7.61	-23.40
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019173	0	41	0.0	-35.73	353.72	8.64	-27.09
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019174	0	41	0.0	-30.26	351.95	5.94	-24.32
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019175	0	44	0.0	-42.57	374.57	7.24	-35.33
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012019176	0	39	0.0	-30.59	337.07	6.64	-23.95
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019177	0	39	0.0	-25.11	347.99	9.34	-15.77
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012019178	0	45	0.0	-36.72	381.65	9.54	-27.18
CC1CCC2=C(C1)SC(C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])=N2	REAL300012019179	1	44	0.0	-32.41	360.35	8.21	-24.20
CC(C)(C)C1CCC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])CC1	REAL300012019180	0	53	0.0	-31.50	373.79	9.95	-21.55
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019181	0	49	0.0	-26.39	391.09	10.51	-15.88
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019182	0	49	0.0	-26.79	391.08	10.49	-16.30
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019183	0	48	0.0	-29.96	388.43	8.82	-21.14
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012019184	0	46	0.0	-31.30	372.75	9.63	-21.67
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Cl	REAL300012019185	0	39	0.0	-25.99	347.02	8.02	-17.97
CC(C)CC1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019186	0	43	0.0	-28.29	357.51	7.94	-20.35
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012019187	0	38	0.0	-31.16	347.88	7.90	-23.26
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012019188	0	38	0.0	-29.56	344.99	7.70	-21.86
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])S2)O1	REAL300012019189	0	41	0.0	-32.72	360.69	7.73	-24.99
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019190	0	38	0.0	-27.05	324.91	8.96	-18.09
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012019191	0	35	0.0	-34.81	327.09	8.94	-25.87
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012019192	0	42	0.0	-29.52	351.76	7.66	-21.86
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012019193	0	44	0.0	-28.48	363.77	9.40	-19.08
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012019194	0	38	0.0	-27.91	333.83	8.78	-19.13
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019195	0	46	0.0	-27.18	374.60	7.35	-19.83
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012019196	0	35	0.0	-24.53	324.00	8.86	-15.67
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019197	0	39	0.0	-26.24	340.98	7.85	-18.39
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012019198	1	38	0.0	-26.46	320.29	6.93	-19.53
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012019199	0	42	0.0	-26.18	352.98	8.07	-18.11
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012019200	0	49	0.0	-25.26	398.76	10.50	-14.76
COC1=CC(Br)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(OC)=C1	REAL300012019201	0	43	0.0	-27.93	365.15	6.98	-20.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012019202	0	46	0.0	-28.09	391.09	11.13	-16.96
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012019203	0	50	0.0	-28.23	414.80	9.06	-19.17
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019204	0	54	0.0	-27.42	413.37	11.15	-16.27
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012019205	0	42	0.0	-30.69	356.36	9.78	-20.91
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019206	0	43	0.0	-28.65	356.50	7.55	-21.10
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012019207	0	41	0.0	-32.86	335.54	7.02	-25.84
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012019208	0	35	0.0	-32.81	310.93	8.44	-24.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012019209	0	42	0.0	-33.75	349.79	9.08	-24.67
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012019210	0	45	0.0	-38.90	387.82	10.01	-28.89
CC(C)(C)N1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012019211	0	44	0.0	-34.53	353.73	7.69	-26.84
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019212	0	42	0.0	-39.45	346.08	6.70	-32.75
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012019213	0	37	0.0	-41.61	317.86	8.50	-33.11
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012019214	0	37	0.0	-38.02	317.93	8.49	-29.53
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012019215	0	41	0.0	-27.23	331.97	9.95	-17.28
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019216	0	49	0.0	-30.69	386.16	10.17	-20.52
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012019217	0	35	0.0	-31.65	311.00	8.45	-23.20
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(OC)=C1OC	REAL300012019218	0	47	0.0	-35.05	381.60	6.94	-28.11
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012019219	0	35	0.0	-26.91	308.18	8.16	-18.75
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012019220	0	39	0.0	-27.18	326.72	7.36	-19.82
COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1OC	REAL300012019221	0	43	0.0	-26.11	347.61	6.98	-19.13
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012019222	0	35	0.0	-25.10	320.41	8.76	-16.34
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012019223	0	48	0.0	-29.45	372.84	6.56	-22.89
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012019224	0	43	0.0	-34.63	348.39	7.03	-27.60
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(OC)=C1	REAL300012019225	0	43	0.0	-25.97	346.43	6.37	-19.60
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012019226	0	38	0.0	-33.12	328.37	8.83	-24.29
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012019227	0	35	0.0	-24.57	316.71	8.63	-15.94
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012019228	0	35	0.0	-34.82	322.88	8.84	-25.98
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019229	0	56	0.0	-31.27	439.77	12.95	-18.32
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012019230	0	39	0.0	-32.74	328.96	7.40	-25.34
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012019231	0	38	0.0	-32.35	319.55	8.88	-23.47
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019232	0	48	0.0	-32.50	385.39	9.67	-22.83
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019233	0	51	0.0	-32.37	402.95	10.19	-22.18
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019234	0	54	0.0	-32.42	428.38	11.23	-21.19
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012019235	0	46	0.0	-34.85	378.34	10.68	-24.17
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(OCCC)=C1	REAL300012019236	0	55	0.0	-25.56	435.30	9.91	-15.65
CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012019237	0	46	0.0	-34.46	370.25	7.95	-26.51
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012019238	0	38	0.0	-28.81	328.39	8.76	-20.05
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(OC)=C1OC	REAL300012019239	0	47	0.0	-27.76	381.54	6.96	-20.80
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012019240	0	53	0.0	-36.50	431.47	11.04	-25.46
CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019241	0	42	0.0	-24.69	338.82	8.02	-16.67
CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019242	0	42	0.0	-32.67	342.39	8.09	-24.58
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019243	0	39	0.0	-26.39	338.26	7.70	-18.69
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(Br)=C1O	REAL300012019244	0	40	0.0	-35.33	351.63	5.64	-29.69
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012019245	0	45	0.0	-32.64	365.24	11.28	-21.36
COC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012019246	0	45	0.0	-29.56	360.07	9.30	-20.26
CSC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019247	0	39	0.0	-32.71	331.25	8.89	-23.82
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012019248	0	35	0.0	-25.49	319.09	8.63	-16.86
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019249	0	47	0.0	-28.41	375.66	6.29	-22.12
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019250	0	45	0.0	-32.37	384.34	9.85	-22.52
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012019251	0	49	0.0	-29.01	400.93	11.04	-17.97
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1Br	REAL300012019252	0	35	0.0	-26.72	300.48	8.23	-18.49
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1O	REAL300012019253	0	40	0.0	-30.36	329.09	4.87	-25.49
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019254	0	38	0.0	-30.38	327.79	6.47	-23.91
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012019255	0	38	0.0	-33.29	333.20	6.98	-26.31
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012019256	0	47	0.0	-25.86	355.25	7.68	-18.18
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1I	REAL300012019257	0	35	0.0	-25.38	304.06	8.59	-16.79
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012019258	0	43	0.0	-31.30	368.10	7.01	-24.29
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012019259	0	52	0.0	-40.49	413.99	11.05	-29.44
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019260	0	47	0.0	-36.62	385.21	9.72	-26.90
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012019261	0	45	0.0	-26.83	365.57	9.38	-17.45
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1OC	REAL300012019262	0	46	0.0	-25.84	369.41	7.90	-17.94
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCC(N)=O	REAL300012019263	0	47	0.0	-42.98	388.36	5.02	-37.96
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019264	0	41	0.0	-27.04	346.76	8.64	-18.40
CCNC(=O)COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012019265	0	53	0.0	-45.42	430.39	7.27	-38.15
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012019266	0	42	0.0	-35.33	346.57	5.75	-29.58
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012019267	0	41	0.0	-31.13	345.46	7.65	-23.48
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])OC(C)C2	REAL300012019268	0	47	0.0	-28.06	373.97	7.68	-20.38
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012019269	0	51	0.0	-42.37	420.19	4.78	-37.59
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012019270	0	47	0.0	-42.85	408.26	5.68	-37.17
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CS1	REAL300012019271	0	44	0.0	-33.56	369.86	7.69	-25.87
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1C	REAL300012019272	0	42	0.0	-28.79	338.40	7.77	-21.02
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019273	0	44	0.0	-26.59	336.17	6.59	-20.00
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019274	0	43	0.0	-30.17	347.34	6.59	-23.58
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019275	0	39	0.0	-30.56	324.98	7.14	-23.42
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(I)=C1	REAL300012019276	0	35	0.0	-33.20	318.74	8.96	-24.24
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(I)C=C1	REAL300012019277	0	35	0.0	-31.49	317.49	8.92	-22.57
CSC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019278	0	36	0.0	-29.61	324.50	8.13	-21.48
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012019279	0	45	0.0	-32.27	384.93	8.62	-23.65
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019280	0	48	0.0	-24.19	380.04	11.56	-12.63
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012019281	0	38	0.0	-35.27	317.05	6.51	-28.76
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019282	0	41	0.0	-38.85	350.41	5.34	-33.51
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012019283	0	45	0.0	-33.29	381.97	11.80	-21.49
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019284	0	39	0.0	-27.17	323.36	7.15	-20.02
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1F	REAL300012019285	0	39	0.0	-35.26	326.69	7.24	-28.02
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019286	0	39	0.0	-26.44	333.70	7.59	-18.85
COC(=O)C1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CN1C	REAL300012019287	0	42	0.0	-40.07	349.07	8.02	-32.05
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Cl	REAL300012019288	0	38	0.0	-30.42	326.42	8.98	-21.44
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1C	REAL300012019289	0	42	0.0	-31.58	340.54	7.92	-23.66
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012019290	0	48	0.0	-31.17	395.01	9.39	-21.78
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012019291	0	34	0.0	-28.58	307.32	6.63	-21.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012019292	0	44	0.0	-30.96	364.67	5.12	-25.84
C#CCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019293	0	44	0.0	-32.55	368.35	9.37	-23.18
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C12	REAL300012019294	0	43	0.0	-37.84	355.91	7.56	-30.28
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012019296	0	38	0.0	-29.68	334.73	8.87	-20.81
CCOCC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OC	REAL300012019297	0	49	0.0	-29.84	393.23	8.04	-21.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012019298	0	38	0.0	-32.05	328.23	7.35	-24.70
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012019299	0	44	0.0	-30.66	380.61	7.28	-23.38
COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1F	REAL300012019300	0	39	0.0	-26.80	323.70	7.06	-19.74
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012019301	0	35	0.0	-26.48	312.21	8.23	-18.25
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC=C1Br	REAL300012019302	0	32	0.0	-24.37	299.28	7.32	-17.05
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019303	0	48	0.0	-24.31	380.42	9.51	-14.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012019304	1	41	0.0	-26.33	339.51	7.54	-18.79
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012019305	0	35	0.0	-32.03	317.35	8.51	-23.52
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012019306	0	40	0.0	-35.26	331.96	8.34	-26.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012019307	0	35	0.0	-24.60	310.82	8.31	-16.29
COC1=CC(F)=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019308	0	39	0.0	-32.84	326.95	7.23	-25.61
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012019309	0	35	0.0	-26.82	317.14	8.43	-18.39
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012019310	0	45	0.0	-33.02	361.27	7.79	-25.23
CS(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019311	0	40	0.0	-44.73	341.92	6.42	-38.31
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012019312	0	45	0.0	-28.16	353.68	10.30	-17.86
COC(=O)C1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CN1	REAL300012019313	0	39	0.0	-40.97	332.62	6.31	-34.66
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1OC	REAL300012019314	0	46	0.0	-33.91	361.44	7.66	-26.25
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012019315	0	32	0.0	-25.38	311.94	7.80	-17.58
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019316	0	42	0.0	-25.01	338.37	7.75	-17.26
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012019317	0	34	0.0	-33.19	315.78	6.23	-26.96
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019318	0	41	0.0	-40.70	351.66	5.39	-35.31
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012019319	0	48	0.0	-30.08	373.26	11.01	-19.07
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019320	0	38	0.0	-30.22	329.12	8.97	-21.25
COCC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019321	0	42	0.0	-32.16	344.77	7.55	-24.61
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012019322	0	42	0.0	-31.85	347.33	9.50	-22.35
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012019323	0	45	0.0	-30.98	355.87	8.32	-22.66
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019324	0	45	0.0	-25.93	362.66	9.36	-16.57
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012019325	0	38	0.0	-32.82	323.21	8.73	-24.09
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=N1	REAL300012019326	0	44	0.0	-29.49	346.71	5.46	-24.03
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019327	0	39	0.0	-29.01	333.22	7.63	-21.38
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019328	0	45	0.0	-27.59	353.92	8.38	-19.21
CC1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012019329	0	45	0.0	-28.52	370.01	10.09	-18.43
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1C	REAL300012019330	0	47	0.0	-32.57	374.05	8.20	-24.37
COCCN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012019331	0	42	0.0	-30.20	346.84	5.45	-24.75
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012019332	0	45	0.0	-30.23	355.47	10.41	-19.82
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012019333	0	45	0.0	-32.49	365.44	9.47	-23.02
CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1F	REAL300012019334	0	42	0.0	-36.69	347.23	8.13	-28.56
COC1=CC=CC2=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=CC=C12	REAL300012019335	0	45	0.0	-28.49	360.33	9.30	-19.19
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1C#N	REAL300012019336	0	40	0.0	-39.11	340.68	7.59	-31.52
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019337	0	45	0.0	-28.91	366.34	9.69	-19.22
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012019338	0	34	0.0	-33.65	316.38	6.17	-27.48
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012019339	0	42	0.0	-33.81	354.89	6.17	-27.64
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Br)=C1	REAL300012019340	0	39	0.0	-24.22	334.58	7.56	-16.66
CC(C)CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012019341	0	44	0.0	-29.76	356.64	8.01	-21.75
CC1=CC(Br)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019342	0	35	0.0	-28.25	321.09	8.27	-19.98
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019343	0	50	0.0	-38.35	400.66	10.58	-27.77
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019344	0	45	0.0	-26.86	377.12	10.46	-16.40
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC=C21	REAL300012019345	0	46	0.0	-38.08	365.51	8.72	-29.36
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019346	0	50	0.0	-26.24	416.60	11.11	-15.13
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019347	0	42	0.0	-26.91	348.13	8.03	-18.88
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012019348	0	41	0.0	-30.63	372.73	9.35	-21.28
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012019349	0	41	0.0	-32.62	360.52	9.07	-23.55
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019350	0	52	0.0	-27.35	416.58	11.30	-16.05
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012019351	0	46	0.0	-26.56	389.39	10.18	-16.38
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012019352	0	50	0.0	-38.49	417.78	8.23	-30.26
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019353	0	44	0.0	-29.20	354.40	7.51	-21.69
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012019354	0	40	0.0	-32.25	347.88	8.79	-23.46
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012019355	0	44	0.0	-28.85	362.90	8.43	-20.42
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012019356	0	41	0.0	-33.41	364.17	9.05	-24.36
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012019357	0	38	0.0	-29.14	327.57	7.39	-21.75
CC(C)C1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019358	0	40	0.0	-29.36	339.95	7.12	-22.24
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012019359	0	38	0.0	-32.00	336.63	6.83	-25.17
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012019360	0	35	0.0	-34.74	327.09	8.94	-25.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012019361	0	47	0.0	-30.59	400.57	10.32	-20.27
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)C=N1	REAL300012019362	0	45	0.0	-36.30	369.83	9.13	-27.17
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012019363	0	38	0.0	-30.65	326.16	6.69	-23.96
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012019364	0	46	0.0	-34.82	386.07	10.80	-24.02
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012019365	0	45	0.0	-30.39	370.70	8.82	-21.57
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012019366	0	46	0.0	-39.27	387.65	9.46	-29.81
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N1	REAL300012019367	0	43	0.0	-36.59	345.74	5.91	-30.68
NC(=O)C1=CSC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019368	0	36	0.0	-33.41	317.32	3.67	-29.74
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012019369	0	49	0.0	-34.25	398.01	10.26	-23.99
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019370	0	47	0.0	-32.39	375.84	8.09	-24.30
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012019371	0	41	0.0	-29.32	345.54	7.92	-21.40
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012019372	0	42	0.0	-32.36	353.45	6.05	-26.31
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N=N1	REAL300012019373	0	44	0.0	-31.02	365.08	8.58	-22.44
CN1N=C(Br)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019374	0	35	0.0	-32.41	313.32	5.87	-26.54
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])S2)C=N1	REAL300012019375	0	42	0.0	-32.02	362.78	8.41	-23.61
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012019376	0	47	0.0	-33.74	368.70	8.71	-25.03
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019377	0	42	0.0	-25.88	358.44	8.69	-17.19
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019378	0	41	0.0	-23.94	327.88	8.90	-15.04
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012019379	0	35	0.0	-28.06	323.94	8.85	-19.21
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019380	0	46	0.0	-30.41	376.61	8.24	-22.17
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012019381	0	39	0.0	-30.85	340.98	7.74	-23.11
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012019382	0	42	0.0	-28.55	347.68	8.55	-20.00
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012019383	0	48	0.0	-33.19	385.99	9.89	-23.30
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012019384	0	48	0.0	-25.21	384.82	9.30	-15.91
CC(C)C1=CN=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019385	1	40	0.0	-32.21	339.17	7.15	-25.06
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012019386	0	45	0.0	-37.00	387.19	10.04	-26.96
CC1=CC(Br)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Cl	REAL300012019387	0	38	0.0	-26.12	340.62	9.49	-16.63
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012019388	0	45	0.0	-26.38	388.06	9.70	-16.68
CC(C)(C)C1=CN=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019389	1	43	0.0	-25.95	357.32	7.59	-18.36
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012019390	0	38	0.0	-28.68	326.47	7.24	-21.44
N#CCCN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012019391	0	48	0.0	-37.60	406.43	8.54	-29.06
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012019392	0	41	0.0	-27.65	348.15	11.42	-16.23
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019393	0	45	0.0	-37.34	369.08	8.36	-28.98
COCCCN1N=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019394	0	45	0.0	-27.54	361.50	6.07	-21.47
CC1=CC(F)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Cl)=C1	REAL300012019395	0	38	0.0	-28.09	331.81	8.97	-19.12
COCCOCC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019396	0	49	0.0	-34.22	401.58	7.82	-26.40
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012019398	0	35	0.0	-23.60	307.81	7.65	-15.95
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012019399	0	41	0.0	-31.92	361.49	10.36	-21.56
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012019400	0	49	0.0	-40.30	413.07	10.24	-30.06
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012019401	0	38	0.0	-34.49	328.43	6.83	-27.66
CC1=CC(F)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(F)=C1	REAL300012019402	0	38	0.0	-30.51	322.99	8.60	-21.91
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])O1	REAL300012019403	0	45	0.0	-34.29	368.39	8.62	-25.67
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019404	0	44	0.0	-26.29	346.23	7.80	-18.49
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012019405	0	34	0.0	-29.63	318.14	7.01	-22.62
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CN1	REAL300012019406	0	42	0.0	-30.06	346.40	6.74	-23.32
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])S2)C=C1C	REAL300012019407	0	47	0.0	-30.05	392.22	9.95	-20.10
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019408	0	45	0.0	-32.70	371.70	9.68	-23.02
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019409	0	45	0.0	-30.84	379.42	10.21	-20.63
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019410	0	48	0.0	-30.74	390.87	10.27	-20.47
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019411	0	45	0.0	-37.88	366.33	9.78	-28.10
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012019412	0	42	0.0	-29.55	335.63	7.19	-22.36
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012019413	0	41	0.0	-29.74	340.46	7.42	-22.32
COC1=CC(OC)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1F	REAL300012019414	0	43	0.0	-30.45	354.80	6.54	-23.91
COC1=CC(F)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012019415	0	43	0.0	-32.59	352.92	7.02	-25.57
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Cl)=C1	REAL300012019416	0	38	0.0	-24.61	325.09	8.92	-15.69
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300012019417	0	49	0.0	-29.50	411.06	11.28	-18.22
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019418	0	48	0.0	-30.96	390.93	10.26	-20.70
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(F)=C1	REAL300012019419	0	39	0.0	-26.97	326.04	7.12	-19.85
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019420	0	39	0.0	-29.89	324.48	7.25	-22.64
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1	REAL300012019421	0	48	0.0	-27.88	378.61	9.45	-18.43
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012019422	0	37	0.0	-31.59	321.84	7.56	-24.03
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012019423	0	38	0.0	-32.03	338.83	8.90	-23.13
CCC1=C2OC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC2=CC=C1	REAL300012019424	0	44	0.0	-32.21	360.44	9.72	-22.49
C=CCCN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N=N1	REAL300012019425	0	41	0.0	-37.92	343.51	6.46	-31.46
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012019426	0	42	0.0	-29.60	344.18	7.81	-21.79
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012019427	0	43	0.0	-27.95	356.90	8.80	-19.15
CCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1	REAL300012019428	0	45	0.0	-28.20	357.16	8.65	-19.55
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012019429	0	39	0.0	-28.20	333.16	7.43	-20.77
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012019430	0	39	0.0	-29.43	335.27	7.51	-21.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012019431	0	48	0.0	-30.72	375.19	11.08	-19.64
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012019432	0	45	0.0	-34.25	368.45	6.54	-27.71
COCC1=CSC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019433	0	39	0.0	-29.84	336.50	6.64	-23.20
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012019434	0	41	0.0	-37.10	333.16	6.27	-30.83
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012019435	0	41	0.0	-31.17	372.74	9.35	-21.82
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012019436	0	35	0.0	-29.75	321.60	7.95	-21.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012019437	0	35	0.0	-30.01	311.63	7.18	-22.83
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012019438	0	35	0.0	-26.02	308.01	7.86	-18.16
CN(C)C1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=CC(F)=C1F	REAL300012019439	0	43	0.0	-25.99	347.98	7.73	-18.26
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012019440	0	35	0.0	-29.18	314.85	8.31	-20.87
CC(C)OC1=CC(Cl)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Cl	REAL300012019441	0	45	0.0	-25.57	386.83	9.57	-16.00
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012019442	0	47	0.0	-34.02	376.30	7.52	-26.50
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1F	REAL300012019443	0	43	0.0	-30.36	356.45	7.45	-22.91
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019444	0	49	0.0	-36.09	391.41	9.56	-26.53
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012019445	0	35	0.0	-30.62	308.17	8.04	-22.58
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012019446	0	42	0.0	-33.70	359.19	8.16	-25.54
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012019447	0	47	0.0	-35.41	404.43	9.24	-26.17
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC1CC1	REAL300012019448	0	47	0.0	-35.31	380.75	8.74	-26.57
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019449	0	38	0.0	-29.94	330.03	6.30	-23.64
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019450	0	49	0.0	-33.09	392.62	8.07	-25.02
CCCC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019451	0	41	0.0	-28.31	344.80	9.28	-19.03
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300012019452	0	49	0.0	-27.51	411.02	11.39	-16.12
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012019453	0	42	0.0	-33.03	358.40	10.48	-22.55
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012019454	0	48	0.0	-27.65	383.64	9.93	-17.72
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012019455	0	42	0.0	-27.19	366.03	8.58	-18.61
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012019456	0	51	0.0	-31.31	390.31	9.81	-21.50
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012019457	0	48	0.0	-27.89	382.04	11.32	-16.57
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019458	0	43	0.0	-28.85	363.78	7.03	-21.82
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=NC=C1Br	REAL300012019459	0	37	0.0	-34.41	325.81	7.22	-27.19
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(Br)C=C1F	REAL300012019460	0	38	0.0	-28.53	330.16	9.03	-19.50
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012019461	0	36	0.0	-31.22	314.32	5.43	-25.79
CN1C=C(C2=NC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CS2)C=N1	REAL300012019462	0	41	0.0	-31.46	359.22	6.40	-25.06
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1Cl	REAL300012019463	0	39	0.0	-33.93	336.50	7.72	-26.21
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012019464	0	45	0.0	-27.40	358.59	8.25	-19.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012019465	0	41	0.0	-38.61	348.98	7.66	-30.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012019466	0	41	0.0	-28.83	340.26	9.37	-19.46
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Br)=N1	REAL300012019467	0	35	0.0	-32.15	312.28	6.01	-26.14
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019468	0	42	0.0	-36.99	347.07	6.77	-30.22
CN1N=CC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CN=C21	REAL300012019469	0	40	0.0	-37.76	333.95	6.96	-30.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012019470	0	34	0.0	-29.86	312.69	6.66	-23.20
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC	REAL300012019471	0	43	0.0	-29.94	357.88	7.37	-22.57
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012019472	0	41	0.0	-33.40	350.70	9.61	-23.79
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019473	0	55	0.0	-35.78	437.54	8.28	-27.50
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019474	0	45	0.0	-29.12	353.85	7.76	-21.36
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(C)N1	REAL300012019475	0	48	0.0	-36.10	389.35	8.20	-27.90
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012019476	0	34	0.0	-33.11	307.26	6.45	-26.66
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012019477	0	45	0.0	-31.44	382.75	11.79	-19.65
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012019478	0	35	0.0	-29.05	321.16	8.54	-20.51
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Br)SC=C1	REAL300012019479	0	32	0.0	-25.73	297.72	7.47	-18.26
CCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(F)C=C1OC	REAL300012019480	0	46	0.0	-32.95	376.05	7.97	-24.98
COC1=NC=C(Br)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019481	0	38	0.0	-26.43	338.04	5.18	-21.25
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012019482	0	41	0.0	-31.56	334.17	9.95	-21.61
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CN=C1Br	REAL300012019483	0	34	0.0	-27.67	301.59	6.56	-21.11
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(F)C=C1Br	REAL300012019484	0	39	0.0	-32.67	345.38	7.81	-24.86
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012019485	0	35	0.0	-25.45	323.08	8.81	-16.64
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012019486	0	39	0.0	-26.33	339.90	7.65	-18.68
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019487	0	45	0.0	-26.07	363.14	8.70	-17.37
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019488	0	42	0.0	-32.49	348.74	8.17	-24.32
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012019489	0	49	0.0	-41.56	386.97	8.88	-32.68
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012019490	0	39	0.0	-27.61	333.63	7.32	-20.29
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019491	0	48	0.0	-33.58	371.37	9.02	-24.56
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019492	0	38	0.0	-26.45	318.27	8.72	-17.73
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(F)C=C1C	REAL300012019493	0	42	0.0	-31.10	345.09	7.90	-23.20
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1Br	REAL300012019494	0	41	0.0	-30.13	337.12	9.41	-20.72
CC1=CC=NC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Br	REAL300012019495	0	37	0.0	-27.94	321.07	7.07	-20.87
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019496	0	52	0.0	-36.68	411.79	8.06	-28.62
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012019497	0	45	0.0	-28.40	381.14	9.04	-19.36
CC(C)(C)C1=CSC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=N1	REAL300012019498	1	43	0.0	-32.44	355.29	7.54	-24.90
COCCC1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019499	0	41	0.0	-29.71	350.69	5.51	-24.20
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012019501	1	36	0.0	-27.91	325.99	5.62	-22.29
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012019502	1	36	0.0	-29.30	313.25	5.14	-24.16
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019503	0	43	0.0	-29.91	353.27	7.46	-22.45
CCN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012019504	0	48	0.0	-29.29	385.84	9.62	-19.67
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012019505	0	43	0.0	-29.88	337.24	7.84	-22.04
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1C	REAL300012019506	0	51	0.0	-29.53	389.18	9.01	-20.52
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012019507	0	37	0.0	-41.15	317.47	8.37	-32.78
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019508	0	49	0.0	-34.24	413.91	11.91	-22.33
CC1=C(Br)C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019509	0	35	0.0	-28.24	323.57	8.31	-19.93
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012019510	0	45	0.0	-32.14	380.58	11.76	-20.38
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012019511	0	40	0.0	-32.67	323.74	8.03	-24.64
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1C	REAL300012019512	0	48	0.0	-29.25	383.91	9.58	-19.67
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012019513	0	39	0.0	-37.11	325.69	6.25	-30.86
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012019514	0	53	0.0	-31.48	428.91	10.60	-20.88
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012019515	0	49	0.0	-32.71	403.19	8.80	-23.91
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019516	0	42	0.0	-30.74	345.02	8.12	-22.62
CC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019517	0	38	0.0	-31.75	331.74	8.87	-22.88
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012019518	0	40	0.0	-31.95	329.42	8.85	-23.10
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019519	0	43	0.0	-33.32	346.19	9.33	-23.99
COC1=CC=C(CN2C=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])N=N2)C=C1	REAL300012019520	0	48	0.0	-34.06	397.38	7.47	-26.59
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(F)=C1OC	REAL300012019521	0	43	0.0	-29.03	359.03	7.13	-21.90
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(F)=C1	REAL300012019522	0	41	0.0	-29.94	351.33	8.48	-21.46
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012019523	0	45	0.0	-36.35	376.35	8.20	-28.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012019524	0	49	0.0	-34.49	400.98	11.10	-23.39
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012019525	0	42	0.0	-28.68	353.74	8.40	-20.28
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019526	0	53	0.0	-24.58	427.96	11.16	-13.42
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019527	0	51	0.0	-32.46	407.87	10.91	-21.55
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019528	0	42	0.0	-32.41	339.61	9.15	-23.26
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012019530	0	41	0.0	-28.88	372.61	9.17	-19.71
COC1=CC=C(C2=NC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CS2)C=C1	REAL300012019531	0	45	0.0	-29.60	385.32	7.97	-21.63
CC1=C2C=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=NC2=NN1	REAL300012019533	0	40	0.0	-38.94	334.03	6.39	-32.55
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019534	0	43	0.0	-38.75	363.23	4.54	-34.21
CN1N=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012019535	0	41	0.0	-33.53	340.98	7.78	-25.75
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019536	0	35	0.0	-31.70	322.29	7.01	-24.69
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012019537	0	40	0.0	-25.23	324.09	7.96	-17.27
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012019538	0	41	0.0	-31.42	335.21	8.69	-22.73
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019539	0	55	0.0	-28.06	411.44	9.87	-18.19
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012019540	0	41	0.0	-33.88	347.22	6.10	-27.78
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019541	0	40	0.0	-28.61	343.01	6.89	-21.72
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019542	0	46	0.0	-27.73	383.31	8.15	-19.58
CCCC(C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012019543	0	47	0.0	-26.36	366.95	10.40	-15.96
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012019544	0	40	0.0	-28.81	344.73	8.74	-20.07
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012019545	0	35	0.0	-32.20	321.85	8.11	-24.09
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012019546	0	52	0.0	-28.23	423.02	8.58	-19.65
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012019547	0	37	0.0	-26.78	342.62	7.82	-18.96
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012019548	0	46	0.0	-33.26	370.24	9.25	-24.01
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019549	0	45	0.0	-38.47	372.70	10.51	-27.96
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019550	0	44	0.0	-30.40	381.26	9.46	-20.94
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012019551	0	54	0.0	-33.00	428.02	11.37	-21.63
CC(C)C1CCC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])CC1	REAL300012019552	0	50	0.0	-31.64	360.88	9.66	-21.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012019553	0	38	0.0	-33.98	350.88	9.15	-24.83
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012019554	0	38	0.0	-29.76	338.01	8.94	-20.82
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019555	0	46	0.0	-37.56	377.10	9.26	-28.30
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019556	0	49	0.0	-34.79	389.48	9.47	-25.32
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019557	0	45	0.0	-24.69	361.30	8.55	-16.14
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012019558	0	44	0.0	-32.72	365.27	9.50	-23.22
COC1=CC=C(N2C=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=N2)C=C1	REAL300012019559	0	46	0.0	-37.46	379.28	8.38	-29.08
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019560	0	50	0.0	-31.22	412.94	11.28	-19.94
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012019561	0	37	0.0	-31.18	329.13	5.80	-25.38
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NC=C1Br	REAL300012019562	0	34	0.0	-27.29	301.89	6.67	-20.62
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019563	0	38	0.0	-37.46	341.92	4.42	-33.04
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012019564	0	55	0.0	-27.26	434.54	11.76	-15.50
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012019565	0	41	0.0	-28.78	338.13	8.49	-20.29
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(F)=C1	REAL300012019566	0	40	0.0	-39.73	347.53	2.73	-37.00
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019568	0	37	0.0	-29.33	320.19	7.09	-22.24
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019569	0	38	0.0	-31.69	325.73	6.30	-25.39
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019570	0	42	0.0	-29.60	341.69	7.46	-22.14
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019571	0	45	0.0	-29.21	358.07	7.95	-21.26
CC1=C2C=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])NC2=CC=C1	REAL300012019572	0	42	0.0	-29.68	341.67	8.31	-21.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012019573	0	41	0.0	-30.95	341.09	6.90	-24.05
CC1=CC=C2C=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])NC2=C1	REAL300012019574	0	42	0.0	-29.65	342.08	8.33	-21.32
CCOC1=CN=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019575	0	41	0.0	-30.09	335.95	6.17	-23.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012019576	0	46	0.0	-28.79	362.47	6.29	-22.50
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019577	0	43	0.0	-36.53	330.48	8.26	-28.27
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012019578	1	38	0.0	-40.80	322.32	5.30	-35.50
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012019579	0	37	0.0	-34.26	320.38	6.95	-27.31
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019580	0	44	0.0	-30.17	362.18	8.18	-21.99
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012019581	0	45	0.0	-33.53	364.17	5.27	-28.26
COC1=CN=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1C	REAL300012019582	0	41	0.0	-29.06	328.07	5.82	-23.24
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1	REAL300012019583	0	48	0.0	-33.32	380.99	10.99	-22.33
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012019584	0	55	0.0	-34.30	429.74	6.69	-27.61
CC(C)(C)OC(=O)NC(C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])CC(F)F	REAL300012019585	0	51	0.0	-33.99	401.20	6.72	-27.27
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012019586	0	45	0.0	-39.65	365.99	5.38	-34.27
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019587	0	43	0.0	-25.35	345.81	7.77	-17.58
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012019588	0	40	0.0	-40.69	338.45	8.30	-32.39
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1C	REAL300012019589	0	48	0.0	-33.74	376.57	10.85	-22.89
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019590	0	40	0.0	-38.96	343.89	2.78	-36.18
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012019591	0	44	0.0	-29.87	342.62	8.26	-21.61
CC1=NN(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Cl	REAL300012019592	0	38	0.0	-27.34	327.84	6.44	-20.90
CN1C=CC(C2=NC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CS2)=N1	REAL300012019593	0	41	0.0	-42.28	360.62	6.34	-35.94
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012019594	0	48	0.0	-29.03	379.30	8.70	-20.33
CC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Br	REAL300012019595	0	38	0.0	-24.31	325.47	8.92	-15.39
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012019596	0	46	0.0	-28.88	383.93	10.63	-18.25
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012019597	0	43	0.0	-29.78	344.68	8.44	-21.34
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019598	0	45	0.0	-40.74	361.47	7.68	-33.06
CCC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Cl)=NN1	REAL300012019599	0	38	0.0	-32.20	322.30	6.00	-26.20
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012019600	0	39	0.0	-32.31	336.00	6.78	-25.53
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012019601	0	47	0.0	-28.56	362.24	8.94	-19.62
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012019602	0	50	0.0	-23.84	380.60	9.69	-14.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012019603	0	34	0.0	-38.37	316.65	5.97	-32.40
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012019604	0	38	0.0	-34.86	330.23	8.82	-26.04
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1C	REAL300012019605	0	44	0.0	-31.61	359.66	8.92	-22.69
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1	REAL300012019606	0	42	0.0	-28.28	335.25	7.73	-20.55
CC1=C(Cl)C=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Cl	REAL300012019607	0	38	0.0	-23.93	334.28	9.19	-14.74
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019608	0	36	0.0	-29.69	321.28	8.61	-21.08
CC1CC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC=C2O1	REAL300012019609	0	43	0.0	-32.96	348.00	8.48	-24.48
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012019610	0	38	0.0	-31.65	322.73	5.30	-26.35
CSCC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019611	0	42	0.0	-32.10	355.83	9.71	-22.39
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012019612	0	45	0.0	-35.45	363.20	8.62	-26.83
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019613	0	43	0.0	-32.95	346.29	5.47	-27.48
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019614	0	42	0.0	-30.74	337.70	7.28	-23.46
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012019615	0	42	0.0	-31.11	338.49	7.61	-23.50
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012019616	0	42	0.0	-31.30	336.98	7.51	-23.79
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019617	0	48	0.0	-27.45	393.27	9.34	-18.11
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019618	0	45	0.0	-28.52	373.33	8.68	-19.84
COC1=CC=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019619	0	42	0.0	-29.13	333.98	7.69	-21.44
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=C21	REAL300012019620	0	41	0.0	-30.22	327.24	8.96	-21.26
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019621	0	45	0.0	-39.83	360.76	7.67	-32.16
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019622	0	45	0.0	-39.66	367.67	6.95	-32.71
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019623	0	47	0.0	-24.19	334.53	9.92	-14.27
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012019624	0	45	0.0	-33.78	347.05	8.25	-25.53
COC1=CC=C2SC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC2=C1	REAL300012019625	0	42	0.0	-31.61	357.97	8.68	-22.93
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019626	0	51	0.0	-39.81	402.04	9.60	-30.21
CCN1CCC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC=C21	REAL300012019627	0	47	0.0	-31.43	363.41	8.01	-23.42
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019628	0	48	0.0	-40.27	383.89	8.72	-31.55
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=NN1C(C)C	REAL300012019629	0	44	0.0	-31.78	353.93	7.58	-24.20
CSC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Cl	REAL300012019630	0	39	0.0	-34.85	344.87	9.30	-25.55
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012019631	0	45	0.0	-30.65	357.99	10.49	-20.16
CCOC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=N1	REAL300012019632	0	41	0.0	-32.13	337.77	5.37	-26.76
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1C1CC1	REAL300012019633	0	45	0.0	-27.84	358.01	10.42	-17.42
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C(C)=C2)C=C1	REAL300012019634	0	48	0.0	-32.01	386.65	10.13	-21.88
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012019635	0	41	0.0	-33.49	362.23	9.74	-23.75
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019636	0	45	0.0	-30.58	381.35	10.11	-20.47
CCC1=CC(Br)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019637	0	38	0.0	-24.82	344.02	9.03	-15.79
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)C=C1Cl	REAL300012019638	0	45	0.0	-36.86	386.63	10.10	-26.76
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])O2)N1	REAL300012019639	0	42	0.0	-37.36	359.57	6.60	-30.76
COCCOC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])O1	REAL300012019640	1	43	0.0	-34.95	358.92	6.58	-28.37
CC(C)(C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012019641	0	44	0.0	-30.62	360.34	10.15	-20.47
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019642	0	47	0.0	-33.03	374.41	8.18	-24.85
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012019643	0	35	0.0	-31.85	328.99	8.99	-22.86
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1	REAL300012019644	0	51	0.0	-23.24	399.42	12.14	-11.10
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012019645	0	42	0.0	-33.39	343.68	7.77	-25.62
COC1=CC=CC(C2=CSC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=N2)=C1	REAL300012019646	1	45	0.0	-28.34	382.23	7.83	-20.51
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019647	0	55	0.0	-35.46	438.93	8.32	-27.14
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019648	0	47	0.0	-37.57	384.45	7.23	-30.34
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012019649	0	52	0.0	-40.83	404.53	9.75	-31.08
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019650	0	42	0.0	-29.08	341.98	7.42	-21.66
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019651	0	45	0.0	-33.10	362.35	10.72	-22.38
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012019652	0	38	0.0	-28.73	353.26	9.70	-19.03
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012019653	0	39	0.0	-25.64	336.71	6.19	-19.45
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012019654	1	45	0.0	-32.52	361.94	4.21	-28.31
COC1=NC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1F	REAL300012019655	0	38	0.0	-28.51	323.66	4.56	-23.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012019656	0	35	0.0	-24.86	321.66	8.68	-16.18
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012019657	0	35	0.0	-29.68	321.89	8.57	-21.11
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012019658	0	35	0.0	-37.27	308.36	7.76	-29.51
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012019659	0	47	0.0	-29.04	374.93	9.36	-19.68
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012019660	0	44	0.0	-40.10	369.13	8.14	-31.96
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])CC1	REAL300012019661	0	55	0.0	-39.27	414.68	8.89	-30.38
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019662	0	37	0.0	-26.02	318.30	7.04	-18.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012019663	0	41	0.0	-39.69	364.84	5.79	-33.90
CC1OC2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2C1C	REAL300012019664	0	46	0.0	-30.53	364.39	8.91	-21.62
CC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OC(F)F	REAL300012019665	0	42	0.0	-30.88	350.36	8.19	-22.69
CC1=NC(Cl)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Br	REAL300012019666	0	37	0.0	-26.42	336.40	7.58	-18.84
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019667	0	47	0.0	-25.36	361.31	10.25	-15.11
CN1N=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012019668	0	41	0.0	-32.93	335.62	2.94	-29.99
CCOC1=CC(Br)=CC(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019669	0	42	0.0	-26.75	365.45	8.65	-18.10
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012019670	0	38	0.0	-31.74	328.71	5.66	-26.08
CC(C)CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N=N1	REAL300012019671	0	43	0.0	-31.21	350.54	6.72	-24.49
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012019672	1	38	0.0	-26.50	326.82	7.03	-19.47
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012019673	0	35	0.0	-35.07	310.78	5.15	-29.92
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=CS1	REAL300012019674	0	38	0.0	-46.00	334.77	4.69	-41.31
CSC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019675	0	39	0.0	-33.09	329.86	8.84	-24.25
CC(C)C1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])N(C)N=C1	REAL300012019676	0	44	0.0	-29.22	353.10	7.30	-21.92
CC1=C(Br)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C(C)S1	REAL300012019677	0	38	0.0	-27.28	339.83	8.76	-18.52
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012019678	0	45	0.0	-34.42	375.92	8.99	-25.43
CCCN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=N1	REAL300012019679	0	44	0.0	-30.94	354.47	7.76	-23.18
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012019680	0	42	0.0	-29.03	356.18	10.05	-18.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012019681	0	43	0.0	-31.78	350.18	8.80	-22.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012019682	0	39	0.0	-26.79	342.53	7.61	-19.18
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012019683	0	41	0.0	-35.35	362.16	9.75	-25.60
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1	REAL300012019684	0	48	0.0	-33.19	386.17	10.82	-22.37
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)C=N1	REAL300012019685	0	48	0.0	-37.60	388.76	11.47	-26.13
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019686	0	42	0.0	-42.06	346.12	6.10	-35.96
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012019687	0	49	0.0	-29.70	384.67	11.85	-17.85
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019689	0	45	0.0	-42.08	368.93	6.99	-35.09
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012019690	0	41	0.0	-33.36	344.37	9.05	-24.31
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012019691	0	42	0.0	-32.48	336.83	6.72	-25.76
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019692	0	45	0.0	-31.22	370.92	8.96	-22.26
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019693	0	46	0.0	-29.14	362.38	8.30	-20.84
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012019694	0	38	0.0	-29.21	348.81	9.91	-19.30
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012019695	0	38	0.0	-36.93	331.94	6.84	-30.09
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012019696	0	45	0.0	-26.98	363.75	9.84	-17.14
CN1C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=NC2=C1CCCC2	REAL300012019697	0	45	0.0	-26.40	353.70	8.48	-17.92
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019698	0	38	0.0	-26.60	332.30	4.95	-21.65
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012019699	0	38	0.0	-27.12	327.27	6.57	-20.55
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012019700	0	38	0.0	-29.59	329.57	8.73	-20.86
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012019701	0	43	0.0	-28.06	337.70	7.81	-20.25
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019702	0	42	0.0	-26.79	357.71	8.60	-18.19
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012019704	0	42	0.0	-29.21	351.38	7.65	-21.56
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012019705	1	42	0.0	-30.34	335.26	8.63	-21.71
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012019706	0	37	0.0	-38.74	324.26	8.57	-30.17
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012019707	0	48	0.0	-30.73	373.47	8.78	-21.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012019708	0	42	0.0	-28.43	364.85	9.28	-19.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012019709	0	35	0.0	-29.52	321.56	8.50	-21.02
CN(CCO)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012019710	0	46	0.0	-32.69	369.22	5.40	-27.29
COC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012019711	0	51	0.0	-24.41	382.21	9.45	-14.96
CN1C=C(Br)N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019712	0	35	0.0	-38.14	312.40	6.72	-31.42
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012019713	0	41	0.0	-29.43	331.14	5.04	-24.39
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1O	REAL300012019714	0	43	0.0	-31.12	343.88	5.47	-25.65
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012019715	0	41	0.0	-42.47	347.74	6.92	-35.55
CN1C(=O)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012019716	0	44	0.0	-40.73	357.47	8.58	-32.15
COC1=NC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1C	REAL300012019717	0	41	0.0	-28.84	338.34	5.25	-23.59
CC1=CC(C)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1Br	REAL300012019718	0	44	0.0	-29.18	355.23	9.85	-19.33
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012019719	0	42	0.0	-34.92	348.09	7.75	-27.17
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012019720	0	48	0.0	-30.73	382.10	11.38	-19.35
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019721	0	45	0.0	-33.97	385.90	8.59	-25.38
CCC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=NN1CC	REAL300012019722	0	44	0.0	-28.81	345.44	7.45	-21.36
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012019723	0	35	0.0	-30.46	317.76	8.42	-22.04
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019724	0	52	0.0	-35.24	412.78	8.12	-27.12
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012019725	0	39	0.0	-31.65	332.05	7.26	-24.39
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012019726	0	38	0.0	-26.65	328.05	7.58	-19.07
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019727	0	41	0.0	-33.22	342.85	9.35	-23.87
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012019728	0	41	0.0	-35.05	352.57	8.61	-26.44
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=N1	REAL300012019729	0	42	0.0	-29.70	351.12	5.50	-24.20
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Cl	REAL300012019730	0	44	0.0	-29.91	371.17	8.09	-21.82
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])S1	REAL300012019731	0	41	0.0	-34.04	357.65	7.13	-26.91
COC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019732	0	39	0.0	-28.98	343.70	7.81	-21.17
N#CC1=CC(F)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(Br)=C1	REAL300012019733	0	36	0.0	-28.53	333.60	8.67	-19.86
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012019734	0	35	0.0	-32.89	308.19	7.99	-24.90
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012019735	0	42	0.0	-32.34	356.60	10.29	-22.05
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019736	0	44	0.0	-30.36	352.95	6.63	-23.73
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012019737	0	41	0.0	-31.12	343.32	10.34	-20.78
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012019738	0	35	0.0	-29.11	331.01	8.97	-20.14
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012019739	0	52	0.0	-24.03	398.31	10.55	-13.48
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012019740	0	46	0.0	-32.45	395.07	11.19	-21.26
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012019741	0	55	0.0	-26.68	419.39	11.27	-15.41
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012019742	0	49	0.0	-26.75	417.16	11.65	-15.10
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2)=C1	REAL300012019743	0	50	0.0	-36.51	407.85	9.98	-26.53
CCN1CCCC2=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=CC=C21	REAL300012019744	0	50	0.0	-28.72	380.20	8.95	-19.77
COCC1=CN=C(OC)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019745	0	45	0.0	-30.92	370.87	4.35	-26.57
CN1N=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Br	REAL300012019746	0	35	0.0	-26.31	311.59	5.94	-20.37
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019747	0	50	0.0	-34.94	410.33	10.64	-24.30
COC1=C(Br)C=CC(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019748	0	39	0.0	-29.18	346.07	7.94	-21.24
COCC1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019749	0	42	0.0	-27.52	337.42	7.64	-19.88
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012019750	0	48	0.0	-28.16	397.95	12.43	-15.73
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012019751	0	39	0.0	-33.67	347.36	9.33	-24.34
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300012019752	0	49	0.0	-29.37	417.66	11.56	-17.81
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012019753	0	48	0.0	-34.28	384.16	8.54	-25.74
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012019754	0	43	0.0	-31.53	343.35	7.92	-23.61
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012019755	0	41	0.0	-30.41	349.51	9.82	-20.59
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012019756	0	41	0.0	-34.80	345.60	5.97	-28.83
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1OC	REAL300012019757	0	43	0.0	-29.79	355.00	7.15	-22.64
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=N1	REAL300012019758	0	42	0.0	-28.98	343.42	5.46	-23.52
CC1=CC=C(F)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Br	REAL300012019759	0	38	0.0	-27.01	332.58	8.89	-18.12
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012019760	0	58	0.0	-25.35	443.16	12.10	-13.25
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012019761	0	49	0.0	-27.62	389.25	10.11	-17.51
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019762	0	41	0.0	-32.34	331.48	9.33	-23.01
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCCO	REAL300012019763	0	47	0.0	-38.29	382.94	4.91	-33.38
CCN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012019764	0	45	0.0	-30.95	367.41	8.72	-22.23
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1OCCO	REAL300012019765	0	47	0.0	-36.81	381.68	4.86	-31.95
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012019766	0	45	0.0	-28.98	376.25	6.74	-22.24
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019767	0	43	0.0	-36.57	337.35	7.58	-28.99
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012019768	0	40	0.0	-34.81	331.96	8.34	-26.47
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012019769	0	54	0.0	-36.11	428.64	8.51	-27.60
CC1=CC2=CC=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=C2O1	REAL300012019770	0	41	0.0	-26.84	340.21	8.95	-17.89
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012019771	0	38	0.0	-35.50	322.62	8.82	-26.68
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012019772	0	42	0.0	-30.67	363.73	8.49	-22.18
COC1=CSC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1OC	REAL300012019773	0	40	0.0	-26.56	341.59	5.76	-20.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012019774	0	41	0.0	-28.72	333.53	7.81	-20.91
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012019775	0	44	0.0	-35.79	388.36	9.60	-26.19
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012019776	0	38	0.0	-25.69	330.62	6.83	-18.86
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])SC=C1	REAL300012019777	0	38	0.0	-32.71	329.66	4.88	-27.83
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019778	0	38	0.0	-39.73	333.48	3.35	-36.38
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012019779	0	38	0.0	-27.56	335.28	8.83	-18.73
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1F	REAL300012019780	0	45	0.0	-37.12	366.48	8.80	-28.32
CCN1C=C(Cl)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=N1	REAL300012019781	0	38	0.0	-29.67	331.95	6.87	-22.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012019782	0	35	0.0	-29.79	317.63	8.46	-21.33
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012019783	0	38	0.0	-36.09	325.13	8.80	-27.29
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012019784	0	41	0.0	-26.73	341.50	10.05	-16.68
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019785	0	38	0.0	-35.04	341.06	4.33	-30.71
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012019786	0	45	0.0	-31.76	359.92	8.22	-23.54
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012019787	0	42	0.0	-33.80	366.60	9.60	-24.20
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019788	0	48	0.0	-31.06	377.80	8.90	-22.16
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012019789	0	38	0.0	-30.48	319.51	6.52	-23.96
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012019790	0	43	0.0	-24.63	369.23	9.38	-15.25
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019791	0	45	0.0	-30.59	367.64	8.37	-22.22
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012019792	0	38	0.0	-34.63	330.32	9.17	-25.46
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012019793	0	35	0.0	-29.17	329.71	8.87	-20.30
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012019794	0	34	0.0	-30.27	305.48	6.47	-23.80
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012019795	0	42	0.0	-34.41	356.27	9.14	-25.27
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019796	0	42	0.0	-27.67	343.52	5.91	-21.76
COC1=NC(C)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1Cl	REAL300012019797	0	44	0.0	-30.67	360.30	5.94	-24.73
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019798	0	44	0.0	-27.78	364.58	8.09	-19.69
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012019799	0	42	0.0	-28.77	337.94	7.51	-21.26
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012019800	0	38	0.0	-36.10	325.91	6.66	-29.44
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012019801	0	39	0.0	-32.26	336.95	7.30	-24.96
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019802	0	51	0.0	-28.44	395.30	9.43	-19.01
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012019803	0	46	0.0	-32.14	366.41	6.45	-25.69
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019804	0	49	0.0	-29.80	386.00	7.02	-22.78
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012019805	0	40	0.0	-26.89	352.02	8.94	-17.95
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012019806	0	45	0.0	-28.35	355.49	8.18	-20.17
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019807	0	37	0.0	-35.44	336.79	1.81	-33.63
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012019808	0	34	0.0	-26.99	313.84	6.84	-20.15
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012019809	0	50	0.0	-41.95	397.17	7.37	-34.58
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019810	0	48	0.0	-27.73	374.17	8.76	-18.97
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012019811	0	38	0.0	-30.35	314.05	8.76	-21.59
CC1=CC(Br)=C(F)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019812	0	38	0.0	-32.82	337.51	9.13	-23.69
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012019813	0	35	0.0	-29.08	331.17	8.98	-20.10
COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1Br	REAL300012019814	0	39	0.0	-25.62	335.87	7.69	-17.93
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012019815	0	35	0.0	-29.15	316.74	8.43	-20.72
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])=C2)C=N1	REAL300012019816	0	45	0.0	-36.33	369.77	9.12	-27.21
COC1=CC(F)=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1Br	REAL300012019817	0	39	0.0	-27.23	344.30	7.71	-19.52
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012019818	0	45	0.0	-41.50	377.53	10.28	-31.22
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019819	0	38	0.0	-29.01	327.11	9.04	-19.97
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019820	0	40	0.0	-30.48	340.75	7.61	-22.87
COC1=NC2=CC=C(C[NH2+]C(CC3=CC=CN=C3)C(=O)[O-])C=C2S1	REAL300012019821	0	41	0.0	-32.27	353.24	5.55	-26.72
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012019822	0	34	0.0	-33.26	307.31	6.60	-26.66
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012019823	0	35	0.0	-29.09	323.19	8.79	-20.30
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019824	0	37	0.0	-29.68	317.79	7.03	-22.65
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019825	0	51	0.0	-32.89	402.76	10.21	-22.68
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012019826	0	35	0.0	-31.24	332.97	8.97	-22.27
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019827	0	39	0.0	-32.12	337.27	7.67	-24.45
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012019828	0	38	0.0	-28.10	342.56	9.15	-18.95
COC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CC(F)=C1F	REAL300012019829	0	39	0.0	-37.59	331.66	7.26	-30.33
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019830	0	41	0.0	-27.59	334.91	5.96	-21.63
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019831	0	42	0.0	-38.13	351.34	5.49	-32.64
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012019832	0	41	0.0	-30.83	340.24	8.21	-22.62
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1C	REAL300012019833	0	45	0.0	-32.28	374.66	7.48	-24.80
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])O1	REAL300012019834	0	42	0.0	-29.98	346.94	8.09	-21.89
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019835	0	41	0.0	-28.36	340.18	9.38	-18.98
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012019836	0	36	0.0	-27.91	324.42	5.61	-22.30
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012019837	0	38	0.0	-26.44	328.07	6.76	-19.68
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012019838	0	51	0.0	-30.51	392.89	11.67	-18.84
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019839	0	43	0.0	-36.41	349.06	8.48	-27.93
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])SC(Br)=C1	REAL300012019840	0	35	0.0	-28.91	321.41	8.21	-20.70
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019841	0	45	0.0	-28.90	358.80	8.16	-20.74
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012019842	0	41	0.0	-35.55	345.53	7.21	-28.34
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012019843	0	43	0.0	-35.02	358.83	8.17	-26.85
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019844	0	44	0.0	-29.72	373.37	8.07	-21.65
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019845	0	47	0.0	-27.86	388.93	9.95	-17.91
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019846	0	42	0.0	-36.59	354.34	7.11	-29.48
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012019847	0	48	0.0	-32.61	393.83	12.32	-20.29
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019848	0	51	0.0	-39.22	409.37	9.07	-30.15
COC1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=N1	REAL300012019849	0	41	0.0	-28.56	330.93	5.02	-23.54
CCN(C)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C)=C1	REAL300012019850	0	49	0.0	-27.33	379.07	9.77	-17.56
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012019851	0	34	0.0	-28.91	315.41	6.94	-21.97
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012019852	0	32	0.0	-25.99	312.44	7.83	-18.16
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019853	0	56	0.0	-24.77	415.20	9.68	-15.09
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019854	0	46	0.0	-29.89	368.68	7.25	-22.64
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012019855	0	39	0.0	-34.13	351.67	8.17	-25.96
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012019856	0	45	0.0	-32.05	379.56	10.63	-21.42
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012019857	0	38	0.0	-32.64	327.89	9.24	-23.40
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012019858	0	44	0.0	-34.49	359.12	9.49	-25.00
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019859	0	57	0.0	-32.86	448.53	12.74	-20.12
CC(C)(C)C1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=NO1	REAL300012019860	0	43	0.0	-27.78	330.86	7.72	-20.06
CC1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1C(F)(F)F	REAL300012019861	0	41	0.0	-33.16	335.86	9.42	-23.74
CCC(C)C1=CC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012019862	0	47	0.0	-30.60	369.70	10.46	-20.14
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012019863	0	37	0.0	-35.09	334.95	7.18	-27.91
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012019864	0	40	0.0	-27.25	354.58	8.07	-19.18
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012019865	0	42	0.0	-33.01	350.90	6.44	-26.57
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012019866	0	38	0.0	-29.98	348.37	9.97	-20.01
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019867	0	48	0.0	-34.08	389.13	10.29	-23.79
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=N1	REAL300012019868	0	40	0.0	-33.20	338.76	7.71	-25.49
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012019869	0	35	0.0	-31.20	320.92	8.45	-22.75
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012019870	0	35	0.0	-26.22	330.52	8.82	-17.40
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012019871	0	45	0.0	-28.56	345.02	10.19	-18.37
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012019872	0	37	0.0	-37.80	339.15	9.12	-28.68
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019873	0	42	0.0	-34.43	350.83	9.76	-24.67
COC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=CC(Br)=C1F	REAL300012019874	0	39	0.0	-27.78	347.30	7.86	-19.92
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012019875	0	38	0.0	-27.27	332.32	8.74	-18.53
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012019876	0	41	0.0	-42.59	343.40	7.78	-34.81
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012019877	0	44	0.0	-27.62	345.80	10.47	-17.15
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019878	0	53	0.0	-27.80	416.18	9.45	-18.35
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012019879	0	41	0.0	-31.67	354.21	10.54	-21.13
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019880	0	43	0.0	-32.53	351.92	7.29	-25.24
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012019881	0	48	0.0	-31.10	378.58	4.81	-26.29
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019882	0	47	0.0	-30.51	377.83	6.46	-24.05
CCCN1N=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1C	REAL300012019883	0	44	0.0	-31.82	355.66	7.66	-24.16
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012019884	0	52	0.0	-27.34	394.59	9.45	-17.89
O=C([O-])C(CC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012019885	0	49	0.0	-26.29	402.40	11.24	-15.05
CC1=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012019886	0	43	0.0	-30.59	345.41	8.84	-21.75
CC1=CC(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012019887	0	44	0.0	-34.25	362.55	9.14	-25.11
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012019888	0	42	0.0	-31.93	352.90	7.93	-24.00
COC1=CC=C(Br)C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])=C1O	REAL300012019889	0	40	0.0	-31.00	343.47	5.40	-25.60
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CC=CN=C1)C(=O)[O-]	REAL300012019890	0	44	0.0	-27.76	352.13	7.68	-20.08
CN1C=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012019891	0	45	0.0	-29.13	362.18	8.23	-20.90
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CN=C2)C(=O)[O-])O1	REAL300012019892	1	43	0.0	-31.10	348.86	5.25	-25.85
CC1=CC=C(N2C=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012019893	0	55	0.0	-42.03	419.15	13.02	-29.01
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012019894	0	51	0.0	-48.41	413.21	11.95	-36.46
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012019895	1	43	0.0	-45.52	373.40	10.86	-34.66
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012019896	0	50	0.0	-47.56	408.12	13.35	-34.21
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012019897	0	40	0.0	-40.08	329.23	8.62	-31.46
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)O1	REAL300012019898	0	30	0.0	-47.11	275.21	7.64	-39.47
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OCC1=CC=C(F)C=C1	REAL300012019899	0	51	0.0	-46.44	419.62	12.02	-34.42
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=C2)C=C1	REAL300012019900	0	51	0.0	-52.86	414.19	10.09	-42.77
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(NC(=O)C2=CC=CC=C2Cl)=CC=C1	REAL300012019901	0	47	0.0	-53.21	397.30	11.29	-41.92
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012019902	0	43	0.0	-45.05	351.14	10.58	-34.47
N#CCCN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012019903	0	47	0.0	-43.54	394.37	11.30	-32.24
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OC(F)F	REAL300012019904	0	41	0.0	-48.80	341.20	8.25	-40.55
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012019905	0	49	0.0	-44.54	402.92	11.59	-32.95
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1	REAL300012019906	0	40	0.0	-47.31	354.30	11.28	-36.03
CCOC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC(Br)=C1OC	REAL300012019907	0	44	0.0	-49.19	377.64	9.64	-39.55
CCOC1=C(Br)C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012019908	0	44	0.0	-44.98	377.70	9.67	-35.31
CCCOC1=CC=C(Br)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012019909	0	43	0.0	-37.85	365.50	10.49	-27.36
CCOC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OC	REAL300012019910	0	44	0.0	-46.75	353.30	8.89	-37.86
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012019911	0	47	0.0	-35.04	382.55	12.13	-22.91
CCCCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012019912	0	49	0.0	-42.39	388.51	11.36	-31.03
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012019913	0	42	0.0	-57.32	361.15	11.33	-45.99
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012019914	0	42	0.0	-52.26	361.19	11.32	-40.94
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1Br	REAL300012019915	0	37	0.0	-48.18	322.62	8.74	-39.44
CCCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012019916	0	50	0.0	-46.64	396.30	10.48	-36.16
CCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012019917	0	47	0.0	-46.54	374.80	9.70	-36.84
C=CCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012019918	0	45	0.0	-45.47	366.20	9.48	-35.99
CCCCCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012019919	0	56	0.0	-46.50	439.30	12.04	-34.46
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012019920	0	40	0.0	-47.24	349.73	11.17	-36.07
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012019921	0	40	0.0	-47.86	349.83	11.22	-36.64
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1	REAL300012019922	0	40	0.0	-45.99	354.25	11.28	-34.71
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012019923	0	40	0.0	-45.34	357.32	12.07	-33.27
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012019924	0	43	0.0	-42.18	356.99	10.44	-31.74
CCC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300012019925	0	42	0.0	-44.75	342.47	10.69	-34.06
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012019926	0	42	0.0	-54.60	357.03	11.95	-42.65
CN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012019927	0	52	0.0	-55.84	414.87	9.89	-45.95
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012019928	1	39	0.0	-47.81	343.95	9.63	-38.18
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012019929	0	37	0.0	-35.33	317.29	8.65	-26.68
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012019930	0	37	0.0	-46.03	329.06	10.23	-35.80
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012019931	0	40	0.0	-36.03	332.68	6.49	-29.54
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(Cl)=C1	REAL300012019932	0	37	0.0	-36.16	314.89	8.51	-27.65
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012019933	0	37	0.0	-45.48	318.66	8.56	-36.92
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012019934	0	42	0.0	-50.47	368.72	12.23	-38.24
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012019935	0	42	0.0	-53.19	369.20	12.29	-40.90
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012019936	0	40	0.0	-50.02	335.55	8.71	-41.31
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012019937	0	43	0.0	-47.06	350.48	9.32	-37.74
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012019938	0	37	0.0	-37.00	316.44	7.91	-29.09
COC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012019939	0	44	0.0	-49.64	358.54	7.94	-41.70
CCOC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C)=NN1CC(C)C	REAL300012019940	0	52	0.0	-39.09	409.02	9.33	-29.76
CC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])O2)C=C1	REAL300012019941	0	43	0.0	-47.29	354.40	11.33	-35.96
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])O1	REAL300012019942	0	40	0.0	-38.64	333.78	7.89	-30.75
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012019943	0	39	0.0	-43.13	323.63	6.88	-36.25
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012019944	0	46	0.0	-52.79	373.65	7.79	-45.00
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012019945	0	48	0.0	-44.66	380.98	9.38	-35.28
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012019946	0	40	0.0	-45.83	347.00	11.61	-34.22
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012019947	0	46	0.0	-39.91	375.37	10.43	-29.48
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012019948	0	42	0.0	-49.64	343.63	7.78	-41.86
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012019949	0	40	0.0	-45.87	331.11	9.97	-35.90
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012019950	0	39	0.0	-47.40	326.05	11.29	-36.11
CC(C)N1N=CC2=CC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=C(Cl)N=C21	REAL300012019951	0	44	0.0	-52.85	370.26	9.84	-43.01
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012019952	0	40	0.0	-43.86	357.46	12.08	-31.78
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012019953	0	50	0.0	-47.80	408.09	10.18	-37.62
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012019954	0	40	0.0	-44.58	349.90	11.73	-32.85
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012019955	0	36	0.0	-42.07	322.62	10.24	-31.83
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012019956	0	36	0.0	-45.13	317.03	9.83	-35.30
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012019957	0	33	0.0	-36.63	302.19	9.72	-26.91
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012019958	0	36	0.0	-42.21	307.64	9.90	-32.31
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012019959	0	36	0.0	-45.64	317.90	9.83	-35.81
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012019960	0	36	0.0	-44.81	316.33	9.83	-34.98
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(Cl)=C1OC	REAL300012019961	0	41	0.0	-37.23	347.36	8.55	-28.68
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012019962	1	49	0.0	-39.04	408.02	12.07	-26.97
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012019963	0	37	0.0	-42.23	327.34	8.93	-33.30
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012019964	0	40	0.0	-47.02	357.28	12.07	-34.95
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=C2)=C1	REAL300012019965	0	48	0.0	-44.99	404.83	12.44	-32.55
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012019966	0	43	0.0	-54.00	355.20	7.30	-46.70
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012019967	0	44	0.0	-47.04	372.87	9.36	-37.68
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012019968	0	46	0.0	-45.21	378.81	10.29	-34.92
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012019969	0	39	0.0	-45.89	337.61	8.59	-37.30
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=C2OCCCOC2=C1	REAL300012019970	0	42	0.0	-47.64	355.97	9.37	-38.27
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012019971	0	43	0.0	-53.78	372.19	10.93	-42.85
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012019972	1	42	0.0	-42.37	352.80	8.72	-33.65
COCCOC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012019973	0	44	0.0	-41.62	357.68	8.27	-33.35
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300012019974	0	37	0.0	-48.32	318.24	8.63	-39.69
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012019975	1	38	0.0	-54.02	332.96	7.70	-46.32
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012019976	0	45	0.0	-51.83	354.08	10.35	-41.48
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012019977	0	49	0.0	-55.12	390.82	8.70	-46.42
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012019978	0	40	0.0	-41.97	343.63	9.47	-32.50
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012019979	0	42	0.0	-38.14	334.30	8.76	-29.38
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012019980	0	45	0.0	-50.90	358.48	10.85	-40.05
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012019981	0	40	0.0	-43.91	338.79	11.35	-32.56
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012019982	0	47	0.0	-39.90	366.79	10.97	-28.93
CN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012019983	0	46	0.0	-38.22	381.62	10.79	-27.43
CC1=CC=C(C2=NC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CS2)C=C1	REAL300012019984	1	42	0.0	-47.69	359.01	10.23	-37.46
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012019985	0	47	0.0	-43.03	387.69	12.22	-30.81
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012019986	1	43	0.0	-50.42	369.13	9.10	-41.32
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012019987	1	42	0.0	-48.40	376.30	10.56	-37.84
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1	REAL300012019988	1	43	0.0	-49.59	385.86	9.61	-39.98
CC1=CC=C(OCC2=NC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CS2)C=C1	REAL300012019989	1	46	0.0	-50.37	390.54	9.76	-40.61
COC1=CC=C(OCC2=NC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CS2)C=C1	REAL300012019990	1	47	0.0	-51.34	398.63	8.38	-42.96
CC(C)(C)C1=NC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CS1	REAL300012019991	1	41	0.0	-45.13	339.40	8.32	-36.81
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012019992	1	36	0.0	-47.17	328.58	8.50	-38.67
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012019993	0	40	0.0	-48.21	346.96	11.62	-36.59
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012019994	0	47	0.0	-37.50	379.13	9.65	-27.85
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012019995	0	47	0.0	-35.15	366.41	11.06	-24.09
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012019996	0	50	0.0	-42.89	404.85	9.70	-33.19
CC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])S2)C=C1	REAL300012019997	0	43	0.0	-45.08	361.95	12.23	-32.85
COC1=CC(OC)=CC(OC2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012019998	0	52	0.0	-47.65	422.16	10.29	-37.36
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012019999	0	39	0.0	-50.40	338.86	9.07	-41.33
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020000	0	37	0.0	-38.97	335.06	9.22	-29.75
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012020001	0	33	0.0	-36.72	306.76	9.83	-26.89
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012020002	0	33	0.0	-35.92	305.78	9.83	-26.09
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012020003	0	44	0.0	-44.53	374.18	11.76	-32.77
CCOC1=C(OC)C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012020004	0	48	0.0	-48.54	386.52	8.83	-39.71
COCCCOC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020005	0	47	0.0	-41.63	379.23	8.87	-32.76
COC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020006	0	41	0.0	-42.53	340.08	7.70	-34.83
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(Br)=C1OC(F)F	REAL300012020007	0	37	0.0	-38.55	328.54	9.00	-29.55
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012020008	1	37	0.0	-36.02	324.67	8.82	-27.20
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012020009	0	53	0.0	-41.61	426.96	13.61	-28.00
CC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012020010	0	46	0.0	-46.73	378.06	10.64	-36.09
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012020011	0	51	0.0	-37.18	414.34	10.06	-27.12
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])S2)C=C1	REAL300012020012	0	42	0.0	-44.47	359.12	10.48	-33.99
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012020013	0	38	0.0	-37.47	329.22	9.81	-27.66
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012020014	0	38	0.0	-37.27	318.11	9.36	-27.91
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012020015	0	38	0.0	-38.28	318.92	9.37	-28.91
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012020016	0	38	0.0	-36.71	326.96	9.74	-26.97
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012020017	0	40	0.0	-49.27	347.44	10.83	-38.44
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])O1	REAL300012020018	0	43	0.0	-47.04	359.90	11.41	-35.63
CCC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])O2)C=C1	REAL300012020019	0	46	0.0	-47.10	375.83	12.12	-34.98
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(OC(F)F)=C1	REAL300012020020	0	41	0.0	-42.11	340.08	7.71	-34.40
COC1=CC=C2OC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CC2=C1	REAL300012020021	0	40	0.0	-48.36	330.05	8.59	-39.77
O=C([O-])C1=CC=CC=C1C[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012020022	0	37	0.0	-43.11	320.52	10.59	-32.52
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012020023	0	41	0.0	-47.52	339.47	10.54	-36.98
CC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1Br	REAL300012020024	0	36	0.0	-45.24	312.20	9.96	-35.28
O=C([O-])C1=CC=CC=C1C[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012020025	0	37	0.0	-41.52	315.62	10.17	-31.35
CC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1Br	REAL300012020026	0	36	0.0	-43.54	312.20	9.96	-33.58
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012020027	1	40	0.0	-49.66	331.65	9.89	-39.77
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012020028	0	38	0.0	-38.30	325.20	9.13	-29.17
CC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC2=CC=CN=C12	REAL300012020029	0	41	0.0	-48.64	333.91	9.97	-38.67
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])O2)C=C1	REAL300012020030	0	52	0.0	-46.80	409.06	12.98	-33.82
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020031	0	53	0.0	-36.39	399.32	12.05	-24.34
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020032	0	53	0.0	-38.44	415.14	11.90	-26.54
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2C)=C1	REAL300012020033	0	56	0.0	-44.72	449.53	14.34	-30.38
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300012020034	0	56	0.0	-44.42	441.95	14.27	-30.15
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020035	0	51	0.0	-43.97	407.47	13.54	-30.43
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020036	0	49	0.0	-41.10	408.24	11.77	-29.33
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300012020037	0	47	0.0	-42.40	371.97	9.83	-32.57
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C(SC)C=C1OC	REAL300012020038	0	45	0.0	-39.35	367.06	8.92	-30.43
COC1=CC=C2N=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])SC2=C1	REAL300012020039	0	39	0.0	-42.57	334.41	7.58	-34.99
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020040	0	39	0.0	-52.44	336.74	9.65	-42.79
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012020041	0	37	0.0	-46.00	322.48	10.03	-35.97
CC1=CC(Cl)=CC(C)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020042	0	39	0.0	-41.08	322.55	10.34	-30.74
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012020043	0	37	0.0	-49.15	318.18	8.42	-40.73
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020044	0	39	0.0	-43.72	326.57	10.43	-33.29
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC(Cl)=C1OC	REAL300012020045	0	41	0.0	-45.40	351.47	8.60	-36.80
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=CC=C1OC(F)F	REAL300012020046	0	37	0.0	-42.27	331.91	9.04	-33.23
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020047	1	49	0.0	-39.15	412.97	11.93	-27.22
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OCC(C)C	REAL300012020048	0	50	0.0	-46.19	394.91	10.38	-35.81
CCCOC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OC	REAL300012020049	0	47	0.0	-46.55	374.80	9.70	-36.85
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)S1	REAL300012020050	0	30	0.0	-45.05	284.65	8.60	-36.45
CCOC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC(Cl)=C1OC	REAL300012020051	0	44	0.0	-49.29	373.26	9.53	-39.76
COC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1OC(C)C	REAL300012020052	0	47	0.0	-36.28	364.52	10.00	-26.28
CCOC1=C(Cl)C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012020053	0	44	0.0	-45.26	373.32	9.56	-35.70
CCCOC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=CC=C1OCC	REAL300012020054	0	50	0.0	-36.72	396.69	10.70	-26.02
CCCCOC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OC	REAL300012020055	0	50	0.0	-46.43	396.30	10.48	-35.95
CCCOC1=C(Cl)C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OCC	REAL300012020056	0	50	0.0	-49.08	416.61	11.29	-37.79
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020057	1	49	0.0	-38.91	407.77	12.38	-26.53
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC(F)F	REAL300012020058	0	41	0.0	-50.23	341.21	8.26	-41.97
CCOC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OC(F)F	REAL300012020059	0	44	0.0	-45.93	363.06	9.18	-36.75
CC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012020060	0	43	0.0	-44.91	350.01	9.77	-35.14
CCOC1=CC2=C(C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-])OC(C)C2	REAL300012020061	0	48	0.0	-39.39	379.58	9.66	-29.73
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC2=C1OCCO2	REAL300012020062	0	43	0.0	-49.58	346.45	7.79	-41.79
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012020063	0	42	0.0	-55.75	367.18	10.20	-45.55
CCCCN1N=C(C)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300012020064	0	45	0.0	-38.09	375.65	9.83	-28.26
CCOC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1OC(F)F	REAL300012020065	0	44	0.0	-38.50	361.47	9.26	-29.24
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012020066	0	51	0.0	-36.97	406.94	10.95	-26.02
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012020067	0	53	0.0	-48.95	433.46	13.82	-35.13
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012020068	0	40	0.0	-45.17	340.60	11.55	-33.62
CCCOC1=C(Cl)C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012020069	0	47	0.0	-45.15	394.82	10.36	-34.79
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020070	0	55	0.0	-39.56	424.25	12.85	-26.71
CC(C)(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020071	1	52	0.0	-42.30	415.74	12.47	-29.83
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020072	1	52	0.0	-42.29	433.51	12.56	-29.73
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012020073	0	40	0.0	-52.46	347.66	10.85	-41.61
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020074	0	56	0.0	-41.44	441.43	11.23	-30.21
CN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2CCCCC2)=N1	REAL300012020075	0	49	0.0	-42.50	379.54	10.32	-32.18
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020076	0	52	0.0	-42.22	410.70	13.09	-29.13
CC1(C)CCC2=C(C1)SC(C[NH2+]CC1=CC=CC=C1C(=O)[O-])=N2	REAL300012020077	1	45	0.0	-37.30	356.98	9.44	-27.86
CCC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020078	0	39	0.0	-40.70	322.47	10.41	-30.29
CC1=C(C)C=C2OC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CC2=C1	REAL300012020079	0	42	0.0	-48.14	338.88	10.50	-37.64
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012020080	0	40	0.0	-48.01	345.85	9.16	-38.85
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OCC1=C(C)ON=C1C	REAL300012020081	0	53	0.0	-49.05	430.49	10.72	-38.33
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012020082	0	40	0.0	-48.69	328.62	11.15	-37.54
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012020083	0	40	0.0	-49.63	341.37	10.78	-38.85
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012020084	0	39	0.0	-46.26	333.23	8.46	-37.80
CCCCC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300012020085	0	48	0.0	-38.33	378.12	12.20	-26.13
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012020086	0	46	0.0	-51.06	379.63	13.44	-37.62
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012020087	0	48	0.0	-46.43	403.44	11.02	-35.41
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020088	0	46	0.0	-46.99	376.52	10.95	-36.04
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012020089	0	42	0.0	-47.82	351.58	9.25	-38.57
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300012020090	0	47	0.0	-42.29	397.13	12.64	-29.65
O=C([O-])C1=CC=CC=C1C[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012020091	0	42	0.0	-45.26	324.02	9.78	-35.48
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012020092	0	40	0.0	-54.27	349.85	9.54	-44.73
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012020093	1	39	0.0	-57.27	349.14	9.37	-47.90
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012020094	1	39	0.0	-54.37	348.19	9.18	-45.19
CCSC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020095	0	40	0.0	-39.80	334.38	10.63	-29.17
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012020096	1	34	0.0	-35.38	303.93	6.50	-28.88
CCN1N=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C21	REAL300012020097	0	42	0.0	-46.97	344.46	9.56	-37.41
COCCC1(C[NH2+]CC2=CC=CC=C2C(=O)[O-])CCCCC1	REAL300012020098	0	49	0.0	-40.19	351.17	9.02	-31.17
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012020099	0	30	0.0	-44.06	300.47	9.07	-34.99
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012020100	0	50	0.0	-59.96	408.21	13.73	-46.23
COC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012020101	0	46	0.0	-55.21	386.53	11.24	-43.97
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012020102	0	40	0.0	-49.58	364.89	11.62	-37.96
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1	REAL300012020103	0	46	0.0	-61.94	393.87	12.98	-48.96
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020104	1	46	0.0	-39.05	391.55	11.26	-27.79
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012020105	0	52	0.0	-43.53	428.02	12.06	-31.47
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020106	1	43	0.0	-38.68	382.82	11.27	-27.41
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012020107	0	40	0.0	-47.32	332.95	10.66	-36.66
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OC(C)C	REAL300012020108	0	47	0.0	-45.08	371.22	9.51	-35.57
CCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OCC	REAL300012020109	0	50	0.0	-46.38	396.65	10.62	-35.76
CC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012020110	0	38	0.0	-57.15	316.89	9.97	-47.18
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020111	1	46	0.0	-40.25	397.97	11.33	-28.92
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)C(Br)=C1	REAL300012020112	0	33	0.0	-42.99	312.96	9.94	-33.05
CCCCCCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020113	0	55	0.0	-42.32	431.51	12.92	-29.40
CC(C[NH2+]CC1=CC=CC=C1C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012020114	0	54	0.0	-42.11	405.72	13.14	-28.97
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Br)C=CS1	REAL300012020115	0	30	0.0	-35.44	282.44	8.40	-27.04
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012020116	0	46	0.0	-36.86	357.18	8.36	-28.50
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(F)=CC=C1Br	REAL300012020117	0	33	0.0	-36.66	295.45	9.39	-27.27
CC1=CC=C(C2=CC=CC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=C2)C=C1	REAL300012020118	0	46	0.0	-44.34	368.32	12.86	-31.48
COC1=CC=C(Br)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020119	0	37	0.0	-40.75	314.72	8.57	-32.18
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012020120	0	39	0.0	-61.41	328.22	9.51	-51.90
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012020121	0	33	0.0	-43.91	306.22	9.78	-34.13
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=CO1	REAL300012020122	0	30	0.0	-44.04	275.16	7.56	-36.48
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020123	0	46	0.0	-41.28	368.77	12.86	-28.42
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012020124	0	39	0.0	-47.19	350.49	10.79	-36.40
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012020125	0	37	0.0	-44.40	311.96	8.36	-36.04
CCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OCC	REAL300012020126	0	47	0.0	-46.62	375.15	9.82	-36.80
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012020127	0	36	0.0	-44.41	324.66	10.18	-34.23
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(F)C=C1Br	REAL300012020128	0	33	0.0	-35.56	295.39	9.40	-26.16
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012020129	0	37	0.0	-42.16	318.70	8.57	-33.59
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020130	0	47	0.0	-44.96	380.88	11.83	-33.13
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012020131	0	43	0.0	-50.73	371.99	11.67	-39.06
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300012020132	0	43	0.0	-43.11	342.08	10.26	-32.85
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012020133	0	40	0.0	-40.62	330.86	8.69	-31.93
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012020133	1	40	0.0	-40.82	331.16	8.72	-32.10
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(Br)=C1O	REAL300012020134	1	38	0.0	-36.89	328.33	6.49	-30.40
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CSC(Br)=C1	REAL300012020135	0	30	0.0	-40.99	284.35	8.45	-32.54
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012020136	0	50	0.0	-49.10	408.05	10.16	-38.94
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300012020137	0	40	0.0	-47.69	372.43	12.52	-35.17
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300012020138	0	46	0.0	-40.62	394.22	10.84	-29.78
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012020139	0	51	0.0	-43.15	403.49	11.36	-31.79
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012020140	0	43	0.0	-42.79	346.92	12.18	-30.61
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012020141	0	46	0.0	-37.75	377.46	10.35	-27.40
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012020142	0	44	0.0	-46.89	346.68	8.68	-38.21
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012020143	0	33	0.0	-44.11	299.71	9.44	-34.67
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012020144	0	42	0.0	-48.96	344.49	10.65	-38.31
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012020145	0	42	0.0	-43.59	341.93	10.42	-33.17
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012020146	0	42	0.0	-45.42	342.12	10.43	-34.99
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020147	0	48	0.0	-45.70	366.69	9.33	-36.37
CN1CCN(C2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300012020148	1	50	0.0	-42.57	381.97	7.47	-35.10
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012020149	0	42	0.0	-47.19	354.09	7.26	-39.93
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012020150	0	40	0.0	-44.80	337.99	10.05	-34.75
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020151	0	46	0.0	-46.58	386.84	11.41	-35.17
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012020152	0	40	0.0	-44.40	348.31	10.50	-33.90
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020153	0	46	0.0	-43.53	383.69	11.12	-32.41
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1	REAL300012020154	1	40	0.0	-38.35	376.55	10.70	-27.65
CC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012020155	0	52	0.0	-45.55	418.49	11.87	-33.68
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012020156	0	40	0.0	-44.12	343.59	9.46	-34.66
CCOC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012020157	0	54	0.0	-47.92	435.06	12.87	-35.05
COC1=C2OC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CC2=CC=C1	REAL300012020158	0	40	0.0	-52.08	330.08	8.59	-43.49
CC(C)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012020159	0	44	0.0	-44.61	357.84	11.27	-33.34
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012020160	0	36	0.0	-47.52	320.06	8.06	-39.46
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020161	0	49	0.0	-41.07	391.52	11.25	-29.82
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020162	0	49	0.0	-49.50	408.92	11.82	-37.68
CCOC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OCC(C)C	REAL300012020163	0	53	0.0	-46.18	416.76	11.30	-34.88
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=CC=C1F	REAL300012020164	0	33	0.0	-38.01	299.62	9.41	-28.60
COC1=CC(Br)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012020165	0	41	0.0	-44.90	343.84	8.47	-36.43
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)C=C1F	REAL300012020166	0	33	0.0	-37.05	299.57	9.43	-27.62
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC(OC)=C1	REAL300012020167	0	41	0.0	-44.13	331.76	7.38	-36.75
COC1=CC2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2C=C1	REAL300012020168	0	43	0.0	-47.07	348.16	10.33	-36.74
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=CS1	REAL300012020170	0	30	0.0	-41.39	284.39	8.51	-32.88
CCCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OCC	REAL300012020171	0	53	0.0	-46.38	418.15	11.40	-34.98
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020172	0	46	0.0	-43.59	369.01	10.87	-32.72
COC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1OC(F)F	REAL300012020173	0	41	0.0	-38.80	339.62	8.35	-30.45
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012020174	0	37	0.0	-47.34	333.23	9.36	-37.98
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012020175	0	53	0.0	-39.34	411.25	12.06	-27.28
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012020176	0	39	0.0	-57.71	323.05	7.83	-49.88
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012020178	0	33	0.0	-43.77	299.71	9.43	-34.34
CC1=CC=C(COC2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012020179	0	50	0.0	-43.74	405.34	12.72	-31.02
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012020180	0	48	0.0	-41.87	365.69	10.05	-31.82
CCCCCCOC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020181	0	52	0.0	-40.12	410.05	12.15	-27.97
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1SC	REAL300012020182	0	41	0.0	-45.07	341.62	9.12	-35.95
N#CCCCOC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020183	0	44	0.0	-46.99	366.41	10.32	-36.67
CCCCCOC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OC	REAL300012020184	0	53	0.0	-46.41	417.80	11.26	-35.15
CCC(C)OC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OC	REAL300012020185	0	50	0.0	-45.66	391.99	10.31	-35.35
CCCCCCCOC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020186	0	55	0.0	-40.03	431.55	12.93	-27.10
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OCCCC#N	REAL300012020187	0	48	0.0	-50.39	395.65	10.21	-40.18
C=C(C)COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OC	REAL300012020188	0	48	0.0	-46.63	385.62	10.25	-36.38
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OCCC(C)C	REAL300012020189	0	53	0.0	-46.25	413.87	11.00	-35.25
C=CCC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC(OC)=C1O	REAL300012020190	0	45	0.0	-45.73	367.57	7.93	-37.80
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012020191	0	40	0.0	-48.30	332.15	8.70	-39.60
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020192	0	42	0.0	-46.94	350.92	9.74	-37.20
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020193	0	43	0.0	-39.94	370.12	7.29	-32.65
CCOC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012020194	0	47	0.0	-50.06	394.73	10.28	-39.78
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012020195	1	39	0.0	-55.98	325.61	8.61	-47.37
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012020196	0	39	0.0	-38.96	335.86	9.55	-29.41
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012020197	0	46	0.0	-44.20	366.75	7.91	-36.29
C=CCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300012020198	0	41	0.0	-48.51	352.99	10.14	-38.37
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012020199	0	39	0.0	-44.70	337.79	9.79	-34.91
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C2OC(C)CC2=C1	REAL300012020200	0	45	0.0	-36.90	359.14	8.65	-28.25
CC1(C)CC2=CC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CC=C2O1	REAL300012020201	0	44	0.0	-43.70	350.18	10.02	-33.68
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012020202	1	39	0.0	-50.48	329.36	7.21	-43.27
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012020203	1	36	0.0	-48.80	329.23	8.59	-40.21
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020204	0	43	0.0	-39.87	350.12	9.30	-30.57
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012020205	0	36	0.0	-44.71	328.22	10.26	-34.45
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300012020206	0	36	0.0	-44.78	332.79	10.37	-34.41
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012020207	0	33	0.0	-35.79	306.69	9.83	-25.96
CC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(Br)=C1	REAL300012020208	0	36	0.0	-33.62	310.41	10.00	-23.62
CC(C)COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020209	0	46	0.0	-42.31	365.62	10.49	-31.82
COCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020210	0	44	0.0	-44.15	357.64	8.27	-35.88
CC(C)(C)N1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CC=CC=C2Cl)=N1	REAL300012020211	0	52	0.0	-41.27	426.94	12.50	-28.77
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020212	0	48	0.0	-46.33	401.45	12.47	-33.86
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012020213	0	37	0.0	-47.45	327.99	8.90	-38.55
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012020214	1	41	0.0	-48.69	365.74	10.24	-38.45
CN1N=C(C2=CC=CC=C2)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300012020215	0	43	0.0	-41.31	367.50	10.27	-31.04
COC1=CC2=C(C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-])OCO2	REAL300012020216	0	40	0.0	-41.78	326.87	6.80	-34.98
CC(C)COC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020217	0	46	0.0	-40.00	365.66	10.50	-29.50
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=CC(Br)=C1	REAL300012020218	0	32	0.0	-44.73	288.93	7.59	-37.14
CC1(C)CC2=CC=CC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=C2O1	REAL300012020219	0	44	0.0	-35.14	349.91	9.99	-25.15
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012020220	0	38	0.0	-38.32	329.77	9.24	-29.08
CN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012020221	0	43	0.0	-47.18	352.03	9.95	-37.23
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012020222	0	40	0.0	-52.27	331.18	9.96	-42.31
CC1=C(Br)SC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020223	0	33	0.0	-45.21	304.20	9.21	-36.00
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012020224	0	38	0.0	-36.83	331.01	9.83	-27.00
CC1=NC2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2C=C1	REAL300012020225	0	41	0.0	-49.88	335.46	9.74	-40.14
COC1=CC=C(OC2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012020226	0	48	0.0	-46.67	390.94	10.91	-35.76
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012020227	0	35	0.0	-40.73	291.59	7.69	-33.04
CC1=CC(C)=CC(C2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012020228	0	49	0.0	-43.81	389.68	13.51	-30.30
CC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012020229	0	42	0.0	-52.23	341.69	12.22	-40.01
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012020230	0	40	0.0	-45.66	337.03	9.31	-36.35
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020231	0	43	0.0	-44.76	367.97	11.09	-33.67
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012020232	0	47	0.0	-42.07	390.39	12.13	-29.94
CCCCOC1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020233	0	46	0.0	-35.28	365.69	10.66	-24.62
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012020234	0	44	0.0	-44.97	373.26	12.87	-32.10
CC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012020235	0	43	0.0	-39.73	349.68	9.64	-30.09
COC1=CC(C)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012020236	0	44	0.0	-45.67	346.25	8.58	-37.09
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1	REAL300012020237	1	39	0.0	-37.86	364.73	10.98	-26.88
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020238	0	39	0.0	-54.79	335.92	9.64	-45.15
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020240	1	42	0.0	-49.71	356.39	8.26	-41.45
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012020241	0	37	0.0	-40.16	319.61	7.61	-32.55
CC(C)SC1=CC(Br)=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020242	0	43	0.0	-35.44	367.55	11.71	-23.73
CSC1=CC(Br)=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020243	0	37	0.0	-36.08	329.72	10.32	-25.76
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012020244	0	43	0.0	-51.00	363.36	10.51	-40.49
CC1CCC2=C(C1)SC(C[NH2+]CC1=CC=CC=C1C(=O)[O-])=N2	REAL300012020245	1	42	0.0	-37.44	342.04	9.13	-28.31
CC(C)(C)C1CCC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])CC1	REAL300012020246	0	51	0.0	-40.60	362.48	11.09	-29.51
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC(F)F)C(Br)=C1	REAL300012020247	0	37	0.0	-47.38	332.37	9.02	-38.36
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012020248	0	46	0.0	-51.32	395.68	11.45	-39.87
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020249	0	47	0.0	-37.98	374.98	11.57	-26.41
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020250	0	47	0.0	-38.73	375.01	11.54	-27.19
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020251	0	46	0.0	-40.95	370.20	9.79	-31.16
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012020252	0	44	0.0	-42.62	355.69	10.57	-32.05
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012020253	0	44	0.0	-35.31	383.96	12.32	-22.99
COC1=CC(Cl)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300012020254	0	37	0.0	-38.83	330.90	9.07	-29.76
CC(C)CC1=NC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])S1	REAL300012020255	0	41	0.0	-42.19	340.60	8.95	-33.24
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012020256	0	36	0.0	-45.41	329.60	8.87	-36.54
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012020257	0	36	0.0	-44.27	328.92	8.74	-35.53
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])S2)O1	REAL300012020258	0	39	0.0	-47.59	342.41	8.70	-38.89
CC1=CC(Br)=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020259	0	36	0.0	-42.12	308.80	10.02	-32.10
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012020260	0	33	0.0	-42.95	308.83	9.85	-33.10
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012020261	0	40	0.0	-44.39	335.62	8.72	-35.67
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012020262	0	42	0.0	-39.67	347.65	10.46	-29.21
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012020263	0	36	0.0	-38.33	316.82	9.74	-28.59
COCCOC1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020264	0	44	0.0	-36.22	356.32	8.33	-27.89
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012020265	0	33	0.0	-35.11	305.71	9.84	-25.27
COC1=C(Br)C=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020266	0	37	0.0	-37.23	322.62	8.83	-28.40
CN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012020267	0	40	0.0	-37.11	339.38	9.22	-27.89
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012020268	0	47	0.0	-37.64	382.63	11.54	-26.10
COC1=CC(Br)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(OC)=C1	REAL300012020269	1	41	0.0	-36.99	348.41	7.92	-29.07
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012020270	0	44	0.0	-37.52	375.82	12.13	-25.39
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012020271	0	48	0.0	-37.97	396.51	10.04	-27.93
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020272	0	52	0.0	-41.37	398.83	12.39	-28.98
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012020273	0	40	0.0	-47.75	339.41	10.72	-37.03
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])S1	REAL300012020274	0	41	0.0	-42.21	339.54	8.57	-33.64
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(Br)=C1	REAL300012020275	0	33	0.0	-40.38	293.99	9.39	-30.99
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012020276	0	40	0.0	-48.84	331.58	9.98	-38.86
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012020277	0	43	0.0	-42.04	369.61	10.91	-31.13
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020278	0	47	0.0	-40.88	367.79	11.07	-29.81
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)C=C1	REAL300012020279	0	33	0.0	-43.55	293.96	9.39	-34.16
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC(OC)=C1OC	REAL300012020280	0	45	0.0	-48.69	364.66	7.89	-40.80
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012020281	0	37	0.0	-39.88	310.59	8.42	-31.46
COC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1OC	REAL300012020282	0	41	0.0	-37.40	331.49	8.04	-29.36
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012020283	0	33	0.0	-35.70	302.14	9.73	-25.97
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012020284	0	46	0.0	-43.50	356.67	7.60	-35.90
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012020285	0	41	0.0	-45.46	331.45	7.97	-37.49
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(OC)=C1	REAL300012020286	0	41	0.0	-37.38	330.32	7.44	-29.94
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012020287	0	36	0.0	-45.33	311.39	9.77	-35.56
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012020288	0	33	0.0	-47.21	298.82	9.67	-37.54
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012020289	0	33	0.0	-43.15	304.62	9.75	-33.40
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020290	0	54	0.0	-41.62	422.71	13.89	-27.73
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012020291	0	37	0.0	-46.95	311.92	8.35	-38.60
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012020292	0	36	0.0	-39.53	301.23	9.86	-29.67
CCCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020293	0	46	0.0	-42.48	367.02	10.57	-31.91
CC(C)CCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020294	0	49	0.0	-42.30	384.58	11.10	-31.20
CCCCCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020295	0	52	0.0	-42.33	410.01	12.14	-30.19
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COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC2=C1OCO2	REAL300012020322	0	40	0.0	-51.70	328.29	6.72	-44.98
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COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012020325	0	49	0.0	-56.95	403.25	5.73	-51.22
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COC1=CC=CC(OC)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020328	0	41	0.0	-37.11	329.07	7.48	-29.63
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O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=CC(Br)=C1	REAL300012020331	0	33	0.0	-43.81	315.35	9.99	-33.82
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012020332	0	43	0.0	-50.22	367.78	9.65	-40.57
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020333	0	46	0.0	-33.45	361.78	12.60	-20.85
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020334	0	39	0.0	-52.31	333.36	6.29	-46.02
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012020335	0	43	0.0	-44.08	363.69	12.70	-31.38
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O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012020338	0	46	0.0	-43.80	376.74	10.36	-33.44
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CC1=NN(C)C2=NC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C12	REAL300012020342	0	41	0.0	-52.64	338.97	8.51	-44.13
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O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)C=C1C(F)(F)F	REAL300012020349	0	36	0.0	-41.70	322.54	10.45	-31.25
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(F)C=CC=C1Br	REAL300012020350	1	33	0.0	-36.23	296.11	9.29	-26.94
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CSC=C1Br	REAL300012020351	0	30	0.0	-34.07	281.01	8.30	-25.77
CC(C)COC1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020352	0	46	0.0	-35.21	364.30	10.56	-24.65
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012020353	1	39	0.0	-37.60	321.22	8.52	-29.08
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012020354	0	33	0.0	-44.58	300.47	9.45	-35.13
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(F)=C1Br	REAL300012020355	0	33	0.0	-47.70	291.05	9.30	-38.40
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(Br)=C1F	REAL300012020356	0	33	0.0	-50.52	297.92	9.42	-41.10
CS(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020357	0	38	0.0	-47.78	324.88	7.36	-40.42
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C)=C1OC	REAL300012020358	0	44	0.0	-43.24	348.86	8.75	-34.49
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012020359	0	30	0.0	-35.55	293.72	8.78	-26.77
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012020360	0	32	0.0	-47.42	298.77	7.19	-40.23
CS(=O)(=O)C1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020361	0	39	0.0	-48.47	333.39	6.29	-42.18
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012020362	0	46	0.0	-40.97	356.21	11.96	-29.01
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012020363	1	40	0.0	-36.16	330.19	10.44	-25.72
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020364	0	43	0.0	-37.87	346.53	10.42	-27.45
COC1=CC(C)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C)=N1	REAL300012020365	0	42	0.0	-44.68	333.54	6.53	-38.15
COC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020366	1	37	0.0	-35.34	314.93	8.55	-26.79
CC1=NC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])N1C1=CC=CC=C1	REAL300012020367	0	43	0.0	-40.78	351.78	11.04	-29.74
CCCN1N=C(C)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1C	REAL300012020368	0	45	0.0	-45.66	356.88	9.14	-36.52
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC2=CC=CC=C21	REAL300012020369	0	43	0.0	-45.38	347.15	10.38	-35.00
CCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300012020370	0	40	0.0	-50.44	330.28	9.08	-41.36
COC1=CC=CC2=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=CC=C12	REAL300012020371	0	43	0.0	-43.16	342.10	10.26	-32.90
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020372	0	43	0.0	-44.72	348.07	10.60	-34.12
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012020373	1	32	0.0	-40.71	298.05	7.09	-33.62
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012020374	0	40	0.0	-46.13	336.62	7.07	-39.06
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(Br)=C1	REAL300012020375	0	37	0.0	-35.53	318.47	8.62	-26.91
CC1=CC(Br)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])S1	REAL300012020376	0	33	0.0	-35.27	304.31	9.21	-26.06
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020377	0	48	0.0	-40.77	382.40	11.48	-29.29
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020378	0	43	0.0	-34.44	361.79	11.47	-22.97
CN1C(=O)CCC2=CC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300012020379	0	44	0.0	-49.84	349.40	9.70	-40.14
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020380	0	48	0.0	-36.67	398.31	12.09	-24.58
CC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020381	0	40	0.0	-39.83	332.02	9.09	-30.74
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012020382	0	39	0.0	-44.37	354.45	10.32	-34.05
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012020383	0	39	0.0	-45.73	342.24	10.04	-35.69
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020384	0	50	0.0	-38.34	398.30	12.27	-26.07
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012020385	0	44	0.0	-37.78	371.10	11.16	-26.62
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012020386	0	48	0.0	-52.08	399.53	9.13	-42.95
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012020387	0	38	0.0	-49.43	329.66	9.76	-39.67
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012020388	0	42	0.0	-42.24	344.61	9.42	-32.82
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012020389	0	39	0.0	-47.29	345.89	10.02	-37.27
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012020390	0	36	0.0	-47.46	320.50	7.88	-39.58
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012020391	0	33	0.0	-43.21	308.83	9.85	-33.36
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012020392	0	45	0.0	-43.74	382.35	11.29	-32.45
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012020393	0	43	0.0	-45.54	352.78	10.07	-35.47
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012020394	0	44	0.0	-45.15	367.86	11.68	-33.47
CN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012020395	0	43	0.0	-50.12	358.46	10.02	-40.10
CN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012020396	0	44	0.0	-44.98	372.83	10.33	-34.65
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])N1	REAL300012020397	0	41	0.0	-48.17	329.67	6.95	-41.22
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012020398	0	47	0.0	-45.78	381.07	11.21	-34.57
CCC1=NN(C)C(CC)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020399	0	45	0.0	-40.40	357.57	9.00	-31.40
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012020400	0	39	0.0	-42.45	327.31	8.89	-33.56
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012020401	0	40	0.0	-44.95	336.75	7.01	-37.94
CC1=CC=CC=C1N1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])N=N1	REAL300012020402	1	42	0.0	-54.81	341.52	9.34	-45.47
CN1N=C(Br)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020403	0	33	0.0	-44.50	295.09	6.83	-37.67
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])S2)C=N1	REAL300012020404	0	40	0.0	-46.25	346.65	9.46	-36.79
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012020405	0	45	0.0	-47.07	351.76	9.65	-37.42
CCOC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020406	0	40	0.0	-36.82	340.16	9.67	-27.15
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012020407	0	33	0.0	-50.32	304.50	9.72	-40.60
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020408	0	44	0.0	-46.23	358.31	9.16	-37.07
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012020409	1	37	0.0	-39.33	322.68	8.66	-30.67
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012020410	0	40	0.0	-47.93	335.32	9.74	-38.19
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2Br)C=C1	REAL300012020411	0	43	0.0	-44.47	369.26	12.82	-31.65
CC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012020412	0	46	0.0	-40.85	370.76	10.61	-30.24
CC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012020413	0	46	0.0	-35.04	368.32	10.33	-24.71
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012020414	0	43	0.0	-45.29	370.29	10.98	-34.31
CC1=CC(Br)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300012020415	0	36	0.0	-40.30	320.65	10.36	-29.94
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012020416	1	43	0.0	-40.28	371.93	10.75	-29.53
CC(C)(C)C1=CN=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])S1	REAL300012020417	1	41	0.0	-37.22	339.09	8.56	-28.66
N#CCCN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012020418	0	46	0.0	-56.81	389.46	9.56	-47.25
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012020419	0	39	0.0	-35.63	333.85	12.37	-23.26
COC(=O)C1=C(C)N(C)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020420	0	43	0.0	-44.17	350.79	9.28	-34.89
COCCCN1N=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020421	0	43	0.0	-43.20	345.10	7.09	-36.11
CC1=CC(F)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(Cl)=C1	REAL300012020422	1	36	0.0	-37.78	313.52	9.86	-27.92
COCCOCC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020423	0	47	0.0	-45.43	383.21	8.73	-36.70
CSCC1=CN=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])S1	REAL300012020424	1	36	0.0	-39.00	324.12	7.94	-31.06
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012020425	0	33	0.0	-32.90	292.60	8.75	-24.15
CC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012020426	0	39	0.0	-47.94	343.35	11.30	-36.64
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012020427	0	47	0.0	-42.69	396.13	11.19	-31.50
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(F)C=C1I	REAL300012020428	1	33	0.0	-34.11	300.71	9.85	-24.26
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012020429	0	36	0.0	-46.01	312.31	7.88	-38.13
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])O1	REAL300012020430	0	43	0.0	-38.72	356.69	9.21	-29.51
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012020431	1	32	0.0	-46.00	299.88	7.97	-38.03
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(OC(F)F)=CC=C1Br	REAL300012020432	0	37	0.0	-44.30	324.48	8.84	-35.46
COC(=O)C1=C(C)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CN1	REAL300012020433	0	40	0.0	-42.70	330.36	7.79	-34.91
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])S2)C=C1C	REAL300012020434	0	45	0.0	-44.72	376.80	11.02	-33.70
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020435	0	43	0.0	-47.38	355.58	10.74	-36.64
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020436	0	43	0.0	-45.34	363.29	11.27	-34.07
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020437	0	46	0.0	-44.97	372.57	11.25	-33.72
CC(C)(C#N)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020438	0	43	0.0	-43.94	349.28	10.72	-33.22
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012020439	0	39	0.0	-46.68	323.11	8.41	-38.27
COC1=CC(OC)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300012020440	0	41	0.0	-43.03	336.46	7.52	-35.51
COC1=CC(F)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012020441	0	41	0.0	-48.75	335.97	8.02	-40.73
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300012020442	0	47	0.0	-42.99	394.10	12.29	-30.70
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020443	0	46	0.0	-45.14	372.70	11.24	-33.90
CCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300012020444	0	46	0.0	-41.42	360.38	10.43	-30.99
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012020445	0	36	0.0	-47.62	321.87	9.92	-37.70
CCC1=C2OC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CC2=CC=C1	REAL300012020446	0	42	0.0	-47.80	343.48	10.74	-37.06
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012020447	0	41	0.0	-36.87	338.62	9.79	-27.08
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012020448	0	37	0.0	-39.27	317.10	8.49	-30.78
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012020449	0	37	0.0	-43.09	317.01	8.49	-34.60
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012020450	0	46	0.0	-40.76	356.93	11.98	-28.78
CN1C=C(C2=NN(C)C=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012020451	0	43	0.0	-51.23	355.98	7.77	-43.46
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2C1	REAL300012020452	0	57	0.0	-47.04	438.61	11.95	-35.09
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012020453	0	39	0.0	-45.48	354.46	10.32	-35.16
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012020454	0	33	0.0	-47.49	303.36	8.91	-38.58
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012020455	0	33	0.0	-47.05	293.73	8.87	-38.18
CN(C)C1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=CC(F)=C1F	REAL300012020456	0	41	0.0	-39.20	332.37	8.85	-30.35
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CC=C(Br)S1	REAL300012020457	0	37	0.0	-35.61	338.07	8.63	-26.98
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012020458	1	33	0.0	-40.49	297.93	9.26	-31.23
CC(C)OC1=CC(Cl)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300012020459	0	43	0.0	-42.32	368.69	10.61	-31.71
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012020460	0	45	0.0	-46.12	358.11	8.41	-37.71
CN(C)C1=CC(F)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300012020461	0	41	0.0	-46.34	338.08	8.36	-37.98
COC(=O)C1=C2CCCCN2C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020462	0	47	0.0	-43.49	374.40	10.51	-32.98
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012020463	0	40	0.0	-44.40	340.99	9.06	-35.34
C=CCOC1=C(Cl)C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012020464	0	45	0.0	-45.46	386.22	10.13	-35.33
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC1CC1	REAL300012020465	0	45	0.0	-47.24	362.49	9.64	-37.60
CN1N=C(C(F)(F)F)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020466	0	36	0.0	-45.86	314.75	7.32	-38.54
COCC(C)OC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020467	0	47	0.0	-46.38	374.25	8.97	-37.41
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300012020468	0	47	0.0	-41.22	392.74	12.37	-28.85
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012020469	0	40	0.0	-42.92	340.03	11.39	-31.53
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012020470	0	46	0.0	-45.65	375.80	11.04	-34.61
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012020471	0	40	0.0	-37.92	349.94	9.63	-28.29
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1C(C)(C)C	REAL300012020472	0	49	0.0	-41.92	373.37	10.76	-31.16
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012020473	0	46	0.0	-40.92	363.75	12.29	-28.63
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020474	0	41	0.0	-40.05	345.49	7.98	-32.07
CC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=NC=C1Br	REAL300012020475	0	35	0.0	-47.94	307.52	8.14	-39.80
CC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C(Br)C=C1F	REAL300012020476	0	36	0.0	-44.61	311.89	9.98	-34.63
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(O)C=CC=C1Br	REAL300012020477	0	34	0.0	-33.85	300.47	6.47	-27.38
CN1C=C(C2=NC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CS2)C=N1	REAL300012020478	1	39	0.0	-51.70	342.21	7.36	-44.34
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1Cl	REAL300012020479	0	37	0.0	-45.71	318.24	8.63	-37.08
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012020480	1	39	0.0	-56.89	332.08	8.67	-48.22
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012020481	0	39	0.0	-39.65	321.88	10.35	-29.30
CN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(Br)=N1	REAL300012020482	1	33	0.0	-49.03	296.16	7.06	-41.97
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=NC=C(Br)C=C1F	REAL300012020483	1	32	0.0	-40.33	294.35	7.57	-32.76
COC1=CC(Cl)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012020484	0	41	0.0	-45.81	342.13	8.41	-37.40
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012020485	0	39	0.0	-43.43	333.65	10.55	-32.88
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020486	0	53	0.0	-44.52	420.66	9.21	-35.31
CCOC(=O)C1=C(C)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C(C)N1	REAL300012020487	0	46	0.0	-40.59	373.03	9.17	-31.42
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012020488	0	43	0.0	-42.51	365.72	12.75	-29.76
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012020489	0	33	0.0	-54.56	304.16	9.49	-45.07
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Br)SC=C1	REAL300012020490	0	30	0.0	-41.86	280.11	8.41	-33.45
CCOC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C(F)C=C1OC	REAL300012020491	0	44	0.0	-48.59	357.82	8.94	-39.65
COC1=NC=C(Br)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020492	0	36	0.0	-38.20	319.81	6.15	-32.05
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012020493	0	39	0.0	-44.74	319.29	10.94	-33.80
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CN=C1Br	REAL300012020494	1	32	0.0	-47.85	280.29	7.38	-40.47
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O	REAL300012020495	0	47	0.0	-42.14	392.19	8.40	-33.74
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C(F)C=C1Br	REAL300012020496	0	37	0.0	-49.44	327.10	8.77	-40.67
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012020497	0	33	0.0	-47.13	303.03	9.77	-37.36
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012020498	0	37	0.0	-35.48	323.71	8.71	-26.77
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020499	0	43	0.0	-38.65	347.04	9.76	-28.89
CCOC1=CC(F)=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020500	0	40	0.0	-44.24	330.53	9.06	-35.18
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012020501	0	47	0.0	-47.68	368.76	9.78	-37.90
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012020502	0	37	0.0	-38.65	317.52	8.38	-30.27
CC(C)(C)OC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020503	0	46	0.0	-39.88	353.10	9.92	-29.96
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C(F)C=C1C	REAL300012020504	0	40	0.0	-46.44	326.82	8.86	-37.58
CC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C)=C1Br	REAL300012020505	0	39	0.0	-39.97	323.85	10.48	-29.49
CC1=CC=NC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1Br	REAL300012020506	1	35	0.0	-38.09	304.36	8.03	-30.06
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020507	0	50	0.0	-43.27	394.74	9.01	-34.26
CN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012020508	0	43	0.0	-41.37	364.96	10.10	-31.27
CC(C)(C)C1=CSC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=N1	REAL300012020509	1	41	0.0	-37.27	338.28	8.49	-28.78
COCCC1=NC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])S1	REAL300012020510	0	39	0.0	-44.09	334.56	6.57	-37.52
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1	REAL300012020513	0	43	0.0	-40.17	378.10	10.46	-29.71
CN1N=C2CCSCC2=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020514	0	41	0.0	-48.89	336.26	8.42	-40.47
CCN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012020515	0	46	0.0	-39.47	373.53	10.80	-28.67
COCC1=C(C)C=C(C)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1C	REAL300012020516	0	49	0.0	-40.92	374.23	10.00	-30.92
CC1=CC(OC2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300012020517	0	47	0.0	-37.92	402.51	12.84	-25.08
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(Cl)=C1	REAL300012020518	0	50	0.0	-46.61	415.41	13.59	-33.02
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012020519	0	44	0.0	-38.17	384.37	12.29	-25.88
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020520	0	47	0.0	-38.87	403.25	12.92	-25.95
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1F	REAL300012020521	0	47	0.0	-38.24	403.53	12.86	-25.38
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020522	0	47	0.0	-35.62	396.96	12.87	-22.75
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1	REAL300012020523	0	44	0.0	-37.09	383.25	12.23	-24.86
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020524	0	50	0.0	-36.22	418.27	13.60	-22.62
CC1=C(Br)C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])S1	REAL300012020525	0	33	0.0	-41.30	305.33	9.27	-32.03
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012020526	0	43	0.0	-43.79	363.64	12.70	-31.09
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(F)=C1I	REAL300012020527	1	33	0.0	-45.56	294.01	9.68	-35.88
CCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300012020528	0	46	0.0	-43.37	365.63	10.55	-32.82
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012020529	0	51	0.0	-48.10	410.64	11.50	-36.60
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1CN1C=CC=N1	REAL300012020530	0	47	0.0	-49.24	384.80	9.76	-39.48
CCOC1=CC=CC(F)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020531	1	40	0.0	-36.46	328.03	9.09	-27.37
CC1=CC=C(Br)C(F)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020532	0	36	0.0	-48.38	314.77	9.96	-38.42
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300012020533	0	50	0.0	-36.20	418.37	13.52	-22.68
CC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012020534	0	38	0.0	-45.21	313.06	10.02	-35.19
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020535	0	41	0.0	-43.67	329.37	10.32	-33.35
COC1=CC=C(CN2C=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])N=N2)C=C1	REAL300012020536	1	46	0.0	-59.35	380.36	8.42	-50.93
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(F)=C1OC	REAL300012020537	0	41	0.0	-38.92	340.75	8.12	-30.80
COC(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300012020538	0	39	0.0	-41.50	333.04	9.46	-32.04
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012020539	0	43	0.0	-41.70	359.35	9.15	-32.55
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012020540	0	47	0.0	-42.94	384.03	12.04	-30.90
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012020541	0	40	0.0	-36.57	335.71	9.40	-27.17
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1	REAL300012020542	0	44	0.0	-40.26	381.04	11.92	-28.34
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020543	0	51	0.0	-34.55	412.37	12.26	-22.29
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012020544	0	44	0.0	-38.48	382.47	12.16	-26.32
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020545	0	48	0.0	-37.96	405.89	12.65	-25.31
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020546	0	49	0.0	-43.25	388.02	11.78	-31.47
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012020547	1	39	0.0	-47.39	354.27	10.09	-37.30
COC1=CC=C(C2=NC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CS2)C=C1	REAL300012020548	1	43	0.0	-47.89	367.05	8.87	-39.02
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020550	0	41	0.0	-51.92	346.28	5.49	-46.43
CN1C(Cl)=NC(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020551	1	33	0.0	-50.98	305.23	8.03	-42.95
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020552	0	53	0.0	-40.74	394.53	10.86	-29.88
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1	REAL300012020553	0	47	0.0	-47.75	401.98	12.17	-35.58
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012020554	0	39	0.0	-50.23	328.88	7.02	-43.21
CC1=NN2C(=NC(C)=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])S1	REAL300012020555	0	38	0.0	-41.79	327.93	7.97	-33.82
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])S1	REAL300012020556	0	44	0.0	-40.88	369.03	9.25	-31.63
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012020557	0	38	0.0	-38.45	326.45	9.71	-28.74
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012020558	0	33	0.0	-47.44	303.56	9.08	-38.36
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012020559	0	50	0.0	-37.64	406.92	9.64	-28.00
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012020560	0	35	0.0	-40.07	325.72	8.83	-31.24
CN(C)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C(F)(F)F)=C1	REAL300012020561	0	44	0.0	-40.29	353.70	10.24	-30.05
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020562	0	43	0.0	-39.53	354.40	11.39	-28.14
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020563	1	42	0.0	-49.45	363.91	10.40	-39.05
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012020564	0	52	0.0	-43.80	409.78	12.28	-31.52
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012020565	0	36	0.0	-53.35	332.65	10.11	-43.24
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1	REAL300012020566	1	39	0.0	-58.75	341.78	9.26	-49.49
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012020567	0	36	0.0	-52.88	321.00	9.91	-42.97
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020568	0	44	0.0	-44.03	359.30	10.17	-33.86
COCC1=CC=CC=C1C=C(C)C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020569	0	47	0.0	-43.40	371.17	10.36	-33.04
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020570	0	43	0.0	-35.08	345.04	9.60	-25.48
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012020571	0	42	0.0	-47.51	348.11	10.52	-36.99
COC1=CC=C(N2C=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=N2)C=C1	REAL300012020572	0	44	0.0	-45.21	361.07	9.28	-35.93
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020573	0	48	0.0	-42.82	394.48	12.18	-30.64
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012020574	0	35	0.0	-53.47	312.11	6.75	-46.72
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=NC=C1Br	REAL300012020575	1	32	0.0	-45.22	281.27	7.51	-37.71
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])S1	REAL300012020576	0	36	0.0	-54.74	325.79	5.46	-49.28
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012020577	0	53	0.0	-40.61	416.16	12.73	-27.88
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012020578	0	39	0.0	-41.99	323.83	9.41	-32.58
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300012020579	0	38	0.0	-45.49	332.51	3.76	-41.73
CC1=C(Br)C=NC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020580	0	35	0.0	-44.71	301.95	8.08	-36.63
CN1N=CC(C(F)(F)F)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020581	0	36	0.0	-50.76	308.51	7.31	-43.45
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012020582	0	39	0.0	-49.66	323.95	7.92	-41.74
COC1=CC=C(C2=CC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300012020583	0	49	0.0	-49.83	406.61	7.81	-42.02
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012020584	0	44	0.0	-43.31	348.35	7.40	-35.91
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21	REAL300012020585	0	47	0.0	-53.26	391.72	11.91	-41.35
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020586	0	42	0.0	-42.73	345.84	9.20	-33.53
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012020587	1	43	0.0	-57.14	347.17	6.23	-50.91
CC1=CC(C)=C(C=CC[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300012020588	0	46	0.0	-42.39	362.77	11.90	-30.49
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012020589	0	53	0.0	-43.80	412.69	7.63	-36.17
CC(C)(C)OC(=O)NC(C[NH2+]CC1=CC=CC=C1C(=O)[O-])CC(F)F	REAL300012020590	0	49	0.0	-45.87	382.98	7.61	-38.26
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012020591	1	43	0.0	-55.47	347.77	6.36	-49.11
CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020592	0	41	0.0	-38.36	331.58	8.86	-29.50
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012020593	0	38	0.0	-47.09	320.11	9.22	-37.87
CC1=CC(C)=C(C=CC[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300012020594	0	46	0.0	-41.61	360.29	11.81	-29.80
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020595	0	38	0.0	-52.26	326.84	3.73	-48.53
CN1C=CC(C2=NC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CS2)=N1	REAL300012020596	1	39	0.0	-56.35	342.37	7.24	-49.11
CN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2CCCC2)=N1	REAL300012020597	0	46	0.0	-42.83	361.02	9.68	-33.15
CC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1Br	REAL300012020598	0	36	0.0	-33.72	307.19	9.90	-23.82
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012020599	0	44	0.0	-45.95	367.82	11.69	-34.26
CN(C)C(=O)C1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020600	0	43	0.0	-42.66	342.01	8.46	-34.20
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012020601	0	37	0.0	-46.52	319.07	7.73	-38.79
CC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C2CCCCC2=N1	REAL300012020602	0	45	0.0	-44.85	345.30	9.96	-34.89
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012020603	0	48	0.0	-34.79	366.54	10.83	-23.96
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=CC=C1Br	REAL300012020605	0	33	0.0	-35.97	310.34	9.93	-26.04
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012020606	0	36	0.0	-45.29	312.13	9.75	-35.54
COC(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300012020607	0	42	0.0	-46.55	343.60	9.96	-36.59
CC1=C(Cl)C=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300012020608	0	36	0.0	-35.71	318.20	10.24	-25.47
CC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C(C)C=C1I	REAL300012020609	0	39	0.0	-41.73	332.89	11.02	-30.71
N#CC1=CC=C(Br)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020610	0	34	0.0	-44.63	305.99	9.66	-34.97
CSCC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020611	0	40	0.0	-42.66	338.79	10.66	-32.00
CN1N=C2CCOCC2=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020612	0	41	0.0	-48.41	328.07	6.37	-42.04
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020613	0	46	0.0	-35.80	374.97	10.33	-25.47
COC(=O)COC1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020614	0	43	0.0	-36.24	357.20	9.74	-26.50
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020615	0	43	0.0	-48.06	344.26	8.61	-39.45
CCNC(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020616	0	43	0.0	-46.89	350.62	7.89	-39.00
COC1=CC=C2SC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CC2=C1	REAL300012020617	0	40	0.0	-45.66	339.63	9.61	-36.05
CCN(CC)C(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020618	0	49	0.0	-47.28	383.91	10.49	-36.79
CCN1CCC2=CC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300012020619	0	45	0.0	-42.83	345.20	8.90	-33.93
CCN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020620	0	46	0.0	-47.66	365.53	9.63	-38.03
CSC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300012020621	0	37	0.0	-48.35	327.93	10.24	-38.11
CC1=NN(C2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C(C)=C2)C=C1	REAL300012020622	0	46	0.0	-45.16	367.83	11.18	-33.98
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012020623	0	39	0.0	-45.21	343.86	10.64	-34.57
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020624	0	43	0.0	-44.06	363.07	11.09	-32.97
CCC1=CC(Br)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])S1	REAL300012020625	0	36	0.0	-35.20	325.74	10.00	-25.20
CC1=NN(C2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2)C=C1Cl	REAL300012020626	0	43	0.0	-45.44	369.58	11.05	-34.39
COC(=O)C1=CC2=C(C=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])O2)N1	REAL300012020627	0	40	0.0	-53.91	341.29	7.57	-46.34
COCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])O1	REAL300012020628	0	41	0.0	-46.94	341.94	7.53	-39.41
CC(C)(C[NH2+]CC1=CC=CC=C1C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012020629	0	42	0.0	-41.50	342.03	11.11	-30.39
CC1=NN(C(C)C)C(C)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020630	0	45	0.0	-40.47	356.15	9.09	-31.38
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012020631	0	33	0.0	-43.97	310.79	9.88	-34.09
CC1=CC=C(C2=CC=CC=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300012020632	0	49	0.0	-33.25	383.19	13.27	-19.98
COC1=CC=CC(C2=CSC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=N2)=C1	REAL300012020633	0	43	0.0	-40.73	365.33	8.84	-31.89
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020634	0	53	0.0	-46.22	420.56	9.22	-37.00
COC(=O)C1=C2COCCN2C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020635	0	45	0.0	-44.57	366.10	8.14	-36.43
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012020636	0	50	0.0	-46.83	387.56	10.70	-36.13
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020637	0	43	0.0	-47.41	344.03	11.69	-35.72
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012020638	0	36	0.0	-51.56	333.83	10.58	-40.98
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012020639	0	37	0.0	-35.35	328.90	7.69	-27.66
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(Br)=C1	REAL300012020640	1	38	0.0	-43.46	343.24	4.29	-39.17
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012020641	1	43	0.0	-46.89	344.98	5.24	-41.65
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012020642	1	33	0.0	-35.19	304.85	9.68	-25.51
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012020643	0	33	0.0	-53.77	303.57	9.47	-44.30
CC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012020644	0	45	0.0	-42.58	356.65	10.34	-32.24
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012020645	1	42	0.0	-56.70	350.86	9.12	-47.58
CC(C)(C)OC(=O)N1CCC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])CC1	REAL300012020646	0	53	0.0	-48.16	396.46	9.80	-38.36
CC1=CC(Br)=CN=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020647	0	35	0.0	-46.66	305.26	8.12	-38.54
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012020648	0	39	0.0	-45.95	346.58	6.69	-39.26
CC1OC2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2C1C	REAL300012020649	0	44	0.0	-45.02	346.15	9.87	-35.15
CC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OC(F)F	REAL300012020650	0	40	0.0	-47.11	332.09	9.09	-38.02
CC1=NC(Cl)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1Br	REAL300012020651	0	35	0.0	-45.86	318.32	8.50	-37.36
CCOC1=CC(Br)=CC(F)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020653	1	40	0.0	-39.58	349.31	9.71	-29.87
CC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])NN=C1C(F)(F)F	REAL300012020654	0	36	0.0	-48.23	312.44	6.70	-41.53
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2)O1	REAL300012020656	0	50	0.0	-47.80	421.55	10.96	-36.84
CC1=C(Br)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C(C)S1	REAL300012020657	0	36	0.0	-41.60	321.55	9.75	-31.85
CN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012020658	0	43	0.0	-49.03	358.48	10.02	-39.01
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012020659	0	40	0.0	-42.21	337.90	11.03	-31.18
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012020660	0	37	0.0	-37.48	324.26	8.59	-28.89
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012020661	0	39	0.0	-41.31	343.90	10.65	-30.66
CC1=NC=CN1C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300012020662	0	46	0.0	-47.85	367.89	11.79	-36.06
CC1=C(C)N(C2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012020663	0	46	0.0	-49.07	370.40	12.38	-36.69
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012020664	0	47	0.0	-41.05	367.65	12.80	-28.25
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020666	0	43	0.0	-41.90	350.67	7.89	-34.01
CC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012020667	0	39	0.0	-47.42	327.39	10.00	-37.42
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020668	0	43	0.0	-46.22	352.80	9.93	-36.29
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012020669	0	36	0.0	-42.42	330.53	10.89	-31.53
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012020670	1	36	0.0	-50.72	315.04	7.84	-42.88
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012020671	0	43	0.0	-39.46	345.53	10.82	-28.64
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1	REAL300012020672	0	40	0.0	-42.52	350.02	9.25	-33.27
COC1=NC(Cl)=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020673	0	36	0.0	-38.57	315.35	5.97	-32.60
CN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C(F)(F)F)=N1	REAL300012020674	0	36	0.0	-37.38	311.17	7.62	-29.76
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012020675	0	36	0.0	-37.63	308.59	9.64	-27.99
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020676	0	46	0.0	-45.42	387.25	11.58	-33.84
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020677	0	40	0.0	-38.02	339.44	9.58	-28.44
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1	REAL300012020678	0	40	0.0	-47.75	350.41	9.26	-38.49
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=NC2=C(COCC2)S1	REAL300012020679	1	37	0.0	-39.09	312.12	6.11	-32.98
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012020680	0	40	0.0	-43.70	335.12	8.70	-35.00
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Br)C=CC=C1Br	REAL300012020681	1	33	0.0	-34.64	308.92	9.75	-24.89
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Br)C=CC=C1OC(F)F	REAL300012020682	1	37	0.0	-35.44	328.71	8.90	-26.54
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012020683	0	35	0.0	-48.91	307.32	9.52	-39.39
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012020684	0	46	0.0	-40.88	357.35	9.83	-31.05
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012020685	1	40	0.0	-41.00	346.57	10.26	-30.74
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012020686	1	33	0.0	-39.54	304.67	9.43	-30.11
CN(CCO)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012020687	0	44	0.0	-45.72	352.28	6.34	-39.38
COC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012020688	0	49	0.0	-36.43	366.08	10.52	-25.91
CN1C=C(Br)N=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020689	1	33	0.0	-37.94	294.06	7.63	-30.31
COC1=CC(C)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1O	REAL300012020690	0	41	0.0	-47.35	328.30	6.46	-40.89
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012020691	0	39	0.0	-60.52	329.46	7.89	-52.63
CN1C(=O)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC2=CC=CC=C21	REAL300012020692	0	42	0.0	-57.83	340.10	9.56	-48.27
CC1=CC(C)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C)=C1Br	REAL300012020693	0	42	0.0	-38.86	342.22	10.92	-27.94
O=C([O-])C1=CC=CC=C1C[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012020694	0	40	0.0	-45.47	329.77	8.72	-36.75
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012020695	0	46	0.0	-40.97	363.87	12.29	-28.68
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020696	0	43	0.0	-46.41	368.86	9.54	-36.87
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012020697	1	33	0.0	-42.05	299.52	9.32	-32.73
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020698	0	50	0.0	-47.10	394.51	9.03	-38.07
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012020699	0	37	0.0	-45.56	316.43	8.32	-37.24
CC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012020700	0	36	0.0	-47.74	311.00	8.53	-39.21
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020701	0	39	0.0	-41.53	325.91	10.30	-31.23
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012020702	0	39	0.0	-44.02	335.63	9.56	-34.46
CN1C=C(C2=NNC=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012020703	0	40	0.0	-40.31	332.99	6.48	-33.83
CCCN1N=C(C)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300012020704	0	42	0.0	-38.16	354.16	9.04	-29.12
CC(C)(C#N)C1=NC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])S1	REAL300012020705	0	39	0.0	-49.10	339.38	8.11	-40.99
COC1=CC=C(Br)C(F)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020706	1	37	0.0	-42.96	326.78	8.77	-34.19
N#CC1=CC(F)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(Br)=C1	REAL300012020707	1	34	0.0	-41.47	316.89	9.68	-31.79
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012020708	0	40	0.0	-43.14	338.23	11.19	-31.95
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012020709	0	39	0.0	-42.13	330.44	11.41	-30.72
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012020710	0	33	0.0	-52.66	312.70	9.89	-42.77
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012020711	0	50	0.0	-35.03	382.26	11.61	-23.42
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012020712	0	44	0.0	-45.90	378.17	12.13	-33.77
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012020713	0	53	0.0	-41.35	402.90	12.29	-29.06
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012020714	0	47	0.0	-36.49	399.30	12.65	-23.84
COC1=CC=CC(OC2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012020715	0	48	0.0	-47.02	390.95	10.92	-36.10
CCN1CCCC2=CC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300012020716	0	48	0.0	-41.82	361.98	9.91	-31.91
COCC1=CN=C(OC)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020717	0	43	0.0	-45.98	352.68	5.30	-40.68
CN1N=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1Br	REAL300012020718	1	33	0.0	-39.35	295.52	6.98	-32.37
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020719	0	48	0.0	-48.08	391.67	11.54	-36.54
COC1=C(Br)C=CC(F)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020720	1	37	0.0	-38.96	327.91	8.83	-30.13
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012020721	0	46	0.0	-44.68	381.81	13.46	-31.22
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012020722	0	37	0.0	-42.82	329.10	10.23	-32.59
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300012020723	0	47	0.0	-41.50	400.71	12.58	-28.92
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012020724	0	46	0.0	-45.05	365.90	9.45	-35.60
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)C=C1OC(F)F	REAL300012020725	0	37	0.0	-41.98	331.90	9.05	-32.93
CC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012020726	0	39	0.0	-47.01	333.25	10.91	-36.10
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012020727	0	39	0.0	-48.64	327.32	6.95	-41.69
COC1=CC=C(F)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1OC	REAL300012020728	1	41	0.0	-40.09	338.19	8.11	-31.98
COC1=CC(OC)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C2=NC(Cl)=CC=C12	REAL300012020729	0	46	0.0	-34.02	385.82	8.48	-25.54
CN1C=CC(C2=NNC=C2C[NH2+]CC2=CC=CC=C2C(=O)[O-])=N1	REAL300012020730	0	40	0.0	-37.98	333.00	6.84	-31.14
CC1=CC=C(F)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1Br	REAL300012020731	1	36	0.0	-36.01	314.31	9.86	-26.15
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012020732	0	56	0.0	-35.52	424.84	13.08	-22.44
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012020733	0	47	0.0	-40.02	372.30	11.13	-28.89
CC(F)(F)C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020734	0	39	0.0	-38.68	313.18	10.30	-28.38
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OCCO	REAL300012020735	0	45	0.0	-48.00	364.67	5.81	-42.19
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1OCCO	REAL300012020736	0	45	0.0	-49.03	364.67	5.81	-43.22
CN1C=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012020737	0	43	0.0	-40.22	358.23	7.69	-32.53
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012020738	0	52	0.0	-50.47	410.38	9.40	-41.07
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012020739	0	36	0.0	-43.68	306.52	9.89	-33.79
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012020740	1	40	0.0	-40.94	347.61	9.55	-31.39
COC1=CSC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1OC	REAL300012020741	0	38	0.0	-38.70	325.45	6.82	-31.88
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012020742	0	42	0.0	-45.43	369.99	10.51	-34.92
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012020743	1	36	0.0	-36.88	316.82	7.92	-28.96
CS(=O)(=O)C1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])SC=C1	REAL300012020744	1	36	0.0	-42.58	314.48	5.43	-37.15
CS(=O)(=O)C1=COC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020745	1	36	0.0	-52.53	316.58	4.36	-48.17
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012020746	0	36	0.0	-38.63	317.02	9.81	-28.82
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300012020747	0	43	0.0	-50.38	348.22	9.70	-40.68
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012020748	0	33	0.0	-53.82	299.31	9.37	-44.45
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012020749	0	39	0.0	-36.85	323.22	11.03	-25.82
CS(=O)(=O)C1=CSC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020750	0	36	0.0	-49.43	324.98	5.37	-44.06
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012020751	0	40	0.0	-46.46	348.26	10.51	-35.95
CC1=NN(C2CCCC2)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020752	0	46	0.0	-42.26	360.79	9.86	-32.40
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Br)C=C(C(F)(F)F)S1	REAL300012020753	0	33	0.0	-38.54	323.06	9.60	-28.94
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012020754	0	41	0.0	-36.50	353.14	10.44	-26.06
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020755	0	43	0.0	-45.70	353.39	9.45	-36.25
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012020756	0	36	0.0	-42.80	314.21	10.26	-32.54
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012020757	1	33	0.0	-39.32	311.46	9.77	-29.55
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012020758	0	40	0.0	-46.64	337.94	10.06	-36.58
CN(C)C1=CN=CC(F)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020759	1	40	0.0	-36.13	326.59	6.87	-29.26
COC1=NC(C)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C)=C1Cl	REAL300012020760	0	42	0.0	-44.57	347.19	7.00	-37.57
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020761	1	42	0.0	-41.00	347.62	9.10	-31.90
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012020762	1	37	0.0	-51.98	318.60	8.22	-43.76
CC1=NN(C2CCCCC2)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020763	0	49	0.0	-41.51	377.75	10.36	-31.15
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012020764	0	44	0.0	-46.21	348.12	7.42	-38.79
CC1=NN(C2CCOCC2)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020765	0	47	0.0	-42.62	368.53	7.96	-34.66
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012020766	0	38	0.0	-37.50	333.78	9.91	-27.59
NS(=O)(=O)C1=CSC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020767	0	35	0.0	-48.48	318.50	2.78	-45.70
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012020768	1	32	0.0	-39.04	298.55	7.86	-31.18
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012020769	0	48	0.0	-47.79	378.91	8.28	-39.51
CC1=NN(C2CCCC2)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020770	0	46	0.0	-41.45	358.03	9.81	-31.64
CC1=CC(Br)=C(F)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020771	0	36	0.0	-49.64	319.24	10.09	-39.55
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012020772	0	33	0.0	-52.63	312.85	9.89	-42.74
COC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1Br	REAL300012020773	0	37	0.0	-34.65	317.61	8.66	-25.99
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012020774	0	33	0.0	-54.74	299.74	9.39	-45.35
CN1C=C(C2=CC=CC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=C2)C=N1	REAL300012020775	0	43	0.0	-44.98	352.82	10.06	-34.92
COC1=CC(F)=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1Br	REAL300012020776	0	37	0.0	-40.07	328.17	8.77	-31.30
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012020777	0	43	0.0	-55.23	359.27	11.18	-44.05
CC1=CC=C(Br)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020778	0	36	0.0	-43.41	308.83	10.01	-33.40
COC1=NC2=CC=C(C[NH2+]CC3=CC=CC=C3C(=O)[O-])C=C2S1	REAL300012020779	0	39	0.0	-46.54	337.11	6.59	-39.95
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=NC(Br)=C1	REAL300012020780	0	32	0.0	-49.53	289.04	7.51	-42.02
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012020781	0	33	0.0	-37.06	307.00	9.75	-27.31
CC(C)(C)COC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020782	0	49	0.0	-39.84	384.49	11.11	-28.73
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012020783	0	33	0.0	-37.87	315.76	9.91	-27.96
COC1=CC(Cl)=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020784	0	37	0.0	-43.68	318.94	8.59	-35.09
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012020785	0	36	0.0	-38.88	324.27	10.12	-28.76
COC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CC(F)=C1F	REAL300012020786	0	37	0.0	-47.95	314.78	8.20	-39.75
CN1N=CC=C1C1=NNC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020787	0	40	0.0	-39.14	335.01	6.42	-32.72
COC(=O)C1=C(C)NC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1C	REAL300012020788	0	43	0.0	-46.56	356.39	8.46	-38.10
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+]CC3=CC=CC=C3C(=O)[O-])=CC=C2C1	REAL300012020789	0	57	0.0	-45.76	438.66	11.95	-33.81
CC1=CC(Br)=CC(C)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020790	0	39	0.0	-41.08	327.12	10.44	-30.64
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012020791	0	34	0.0	-34.02	306.23	6.50	-27.52
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012020792	1	36	0.0	-37.56	312.79	7.84	-29.72
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012020793	0	49	0.0	-40.97	374.60	12.58	-28.39
CC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])SC(Br)=C1	REAL300012020794	0	33	0.0	-43.72	303.13	9.20	-34.52
CC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=NN1CC(F)F	REAL300012020795	0	39	0.0	-45.37	326.90	8.17	-37.20
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012020796	0	41	0.0	-48.40	341.89	9.12	-39.28
CCCN1N=C(C)C(Cl)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020797	1	42	0.0	-45.72	350.42	9.09	-36.63
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020798	0	45	0.0	-53.01	370.84	10.86	-42.15
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020799	0	40	0.0	-45.72	336.02	8.03	-37.69
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012020800	0	46	0.0	-42.68	375.46	13.23	-29.45
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=CC(Cl)=C1Br	REAL300012020801	1	33	0.0	-35.71	320.56	10.28	-25.43
CCCCC(=O)NC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012020802	0	49	0.0	-44.23	392.33	10.02	-34.21
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(Br)=C1Br	REAL300012020803	0	33	0.0	-46.16	304.31	9.81	-36.35
CCN(C)C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300012020804	0	47	0.0	-40.29	360.80	10.76	-29.53
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012020805	1	32	0.0	-45.13	297.03	7.88	-37.25
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012020806	0	30	0.0	-36.24	294.16	8.81	-27.43
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020807	0	54	0.0	-39.11	401.72	10.94	-28.17
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020808	0	44	0.0	-36.93	350.47	8.14	-28.79
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012020809	0	37	0.0	-47.48	334.73	9.12	-38.36
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012020810	0	43	0.0	-46.31	361.34	11.59	-34.72
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012020811	0	42	0.0	-46.00	342.08	10.43	-35.57
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020812	0	55	0.0	-41.86	431.59	13.68	-28.18
CC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1C(F)(F)F	REAL300012020813	0	39	0.0	-38.67	317.72	10.38	-28.29
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C=C1Br	REAL300012020814	0	36	0.0	-36.62	327.74	10.32	-26.30
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012020815	0	35	0.0	-48.59	316.65	8.09	-40.50
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012020816	0	38	0.0	-41.85	337.80	9.15	-32.70
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012020817	0	40	0.0	-50.42	332.55	7.40	-43.02
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012020818	0	36	0.0	-45.07	331.35	10.93	-34.14
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020819	1	46	0.0	-37.37	374.25	11.38	-25.99
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=N1	REAL300012020820	0	38	0.0	-49.50	321.86	8.72	-40.78
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(Br)C=C1Br	REAL300012020821	0	33	0.0	-35.14	310.27	9.94	-25.20
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012020822	0	33	0.0	-38.24	305.87	9.49	-28.75
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012020823	0	33	0.0	-46.45	313.39	9.89	-36.56
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012020824	0	35	0.0	-47.93	322.21	10.06	-37.87
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020825	0	40	0.0	-45.01	332.54	10.66	-34.35
COC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=CC(Br)=C1F	REAL300012020826	0	37	0.0	-39.94	329.03	8.84	-31.10
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012020827	0	36	0.0	-37.59	316.18	9.80	-27.79
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012020828	0	39	0.0	-49.14	325.04	8.68	-40.46
CC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C=CC2=CC=CC=C21	REAL300012020829	0	42	0.0	-42.64	329.69	11.53	-31.11
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020830	0	51	0.0	-41.07	397.94	10.42	-30.65
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012020831	0	39	0.0	-47.92	337.21	11.55	-36.37
COC1=C2C=CNC2=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020832	0	41	0.0	-38.71	334.48	8.28	-30.43
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012020833	0	46	0.0	-44.65	360.27	5.77	-38.88
COC1=CC=C(OC)C(OC)=C1C[NH2+]CC1=CC=CC=C1C(=O)[O-]	REAL300012020834	1	45	0.0	-42.03	359.83	7.38	-34.65
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012020835	0	50	0.0	-33.96	384.03	10.67	-23.29
O=C([O-])C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012020836	0	47	0.0	-39.65	386.33	12.30	-27.35
CC1=C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012020837	0	41	0.0	-44.86	328.50	9.85	-35.01
CC1=CC(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012020838	0	42	0.0	-49.99	345.27	10.09	-39.90
COC(=O)C1=CN(C)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300012020839	0	40	0.0	-42.60	334.62	8.90	-33.70
COC1=CC=C(Br)C(C[NH2+]CC2=CC=CC=C2C(=O)[O-])=C1O	REAL300012020840	0	38	0.0	-36.79	329.74	6.43	-30.36
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=C1	REAL300012020841	0	46	0.0	-66.39	356.68	6.87	-59.52
CC1=CC=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012020842	0	46	0.0	-67.22	357.46	6.85	-60.37
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CN=C4C=C3)(C1)OC21COC1	REAL300012020843	0	45	0.0	-76.61	361.60	5.95	-70.66
O=C([O-])C12CC(C[NH2+]CC3CC4C=CC3C4)(C1)OC21COC1	REAL300012020844	0	45	0.0	-67.67	337.51	6.12	-61.55
CC(C)(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012020845	0	52	0.0	-68.11	397.46	7.87	-60.24
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=CC=C3)(C1)OC21COC1	REAL300012020846	0	47	0.0	-72.34	377.59	5.38	-66.96
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)O3)(C1)OC21COC1	REAL300012020847	0	37	0.0	-72.22	323.71	4.42	-67.80
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012020848	0	50	0.0	-75.51	399.74	7.36	-68.15
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1OC(F)F	REAL300012020849	0	48	0.0	-76.19	388.99	5.06	-71.13
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1OC	REAL300012020850	0	51	0.0	-74.50	401.08	5.70	-68.80
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3OCC3=CC=CC=C3)(C1)OC21COC1	REAL300012020851	0	54	0.0	-63.77	431.13	8.91	-54.86
CCCCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012020852	0	56	0.0	-70.43	436.33	8.17	-62.26
CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1C	REAL300012020853	0	46	0.0	-67.29	353.10	6.71	-60.58
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1C	REAL300012020854	0	46	0.0	-67.36	358.90	6.79	-60.57
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1Br	REAL300012020855	0	44	0.0	-73.82	370.40	5.54	-68.28
CC(C)OC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012020856	0	50	0.0	-63.08	389.15	6.48	-56.60
CCCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OC	REAL300012020857	0	57	0.0	-75.19	444.86	7.25	-67.94
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OC	REAL300012020858	0	54	0.0	-74.31	422.58	6.50	-67.81
C=CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OC	REAL300012020859	0	52	0.0	-74.78	413.99	6.28	-68.50
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)O3)(C1)OC21COC1	REAL300012020860	0	47	0.0	-72.69	398.23	7.96	-64.73
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4Cl)O3)(C1)OC21COC1	REAL300012020861	0	47	0.0	-69.75	397.59	8.03	-61.72
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4=CC=CC=C4)N=C3)(C1)OC21COC1	REAL300012020862	0	50	0.0	-73.82	405.50	7.21	-66.61
CCC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C2=CC=CC=C2O1	REAL300012020863	0	49	0.0	-71.39	390.25	7.49	-63.90
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CC=C(F)C=C4)=N3)(C1)OC21COC1	REAL300012020864	0	46	0.0	-70.63	392.52	6.41	-64.22
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3OC(F)(F)F)(C1)OC21COC1	REAL300012020865	0	44	0.0	-67.75	365.90	5.42	-62.33
O=C([O-])C12CC(C[NH2+]CC3=CC=C(SC(F)(F)F)C=C3)(C1)OC21COC1	REAL300012020866	0	44	0.0	-73.61	376.88	7.05	-66.56
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C([N+](=O)[O-])C=C1O	REAL300012020867	0	47	0.0	-74.69	381.28	3.25	-71.44
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(Cl)=C1	REAL300012020868	0	44	0.0	-67.72	363.44	5.29	-62.43
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)(F)F)C=C3)(C1)OC21COC1	REAL300012020869	0	44	0.0	-73.60	366.47	5.38	-68.22
N#CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012020870	0	41	0.0	-78.15	341.34	5.97	-72.18
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=C(F)C=C3)(C1)OC21COC1	REAL300012020871	0	47	0.0	-76.05	384.09	5.46	-70.59
CC1=CC=C(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012020872	0	50	0.0	-71.32	398.14	6.13	-65.19
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=CS3)(C1)OC21COC1	REAL300012020873	0	44	0.0	-68.44	364.21	4.71	-63.73
COC1=CC=C(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012020874	0	51	0.0	-74.10	406.20	4.75	-69.35
O=C([O-])C12CC(C[NH2+]CC3=CSC4=CC=CC=C34)(C1)OC21COC1	REAL300012020875	0	43	0.0	-70.96	357.38	6.96	-64.00
CCOC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=NN1CC(C)C	REAL300012020876	0	59	0.0	-65.15	446.65	5.66	-59.49
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4OC3)(C1)OC21COC1	REAL300012020877	0	46	0.0	-73.31	367.30	6.05	-67.26
CC1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)O2)C=C1	REAL300012020878	0	50	0.0	-71.42	402.91	8.12	-63.30
CC1=CC=C(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)O1	REAL300012020879	0	47	0.0	-69.00	381.55	4.69	-64.31
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=CN=C3)(C1)OC21COC1	REAL300012020880	0	46	0.0	-77.04	372.65	3.64	-73.40
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC4CCCO4)C=C3)(C1)OC21COC1	REAL300012020881	0	55	0.0	-73.23	428.80	6.19	-67.04
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)S3)(C1)OC21COC1	REAL300012020882	0	37	0.0	-71.46	328.53	5.28	-66.18
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C(F)C=C4)S3)(C1)OC21COC1	REAL300012020883	0	47	0.0	-70.94	394.73	8.43	-62.51
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=CC=CN=C43)(C1)OC21COC1	REAL300012020884	0	45	0.0	-63.99	361.12	6.06	-57.93
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3OCC3=CC=CC=N3)(C1)OC21COC1	REAL300012020885	0	53	0.0	-69.09	423.94	7.21	-61.88
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012020886	0	49	0.0	-72.40	392.12	4.55	-67.85
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4C=CC=N4)C=C3)(C1)OC21COC1	REAL300012020887	0	47	0.0	-77.77	379.62	6.76	-71.01
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4C=NC=N4)C=C3)(C1)OC21COC1	REAL300012020888	0	46	0.0	-79.92	373.77	8.11	-71.81
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4F)S3)(C1)OC21COC1	REAL300012020889	0	47	0.0	-70.28	397.69	8.54	-61.74
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)O1	REAL300012020890	0	43	0.0	-68.66	345.41	5.29	-63.37
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC=C3F)(C1)OC21COC1	REAL300012020891	0	40	0.0	-68.50	332.45	5.68	-62.82
O=C([O-])C12CC(C[NH2+]CC3=CC(C(F)(F)F)=CC=C3Cl)(C1)OC21COC1	REAL300012020892	0	43	0.0	-67.47	371.38	7.07	-60.40
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C=C3Cl)(C1)OC21COC1	REAL300012020893	0	40	0.0	-69.59	340.35	6.06	-63.53
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(Cl)=C3)(C1)OC21COC1	REAL300012020894	0	40	0.0	-76.90	343.07	6.14	-70.76
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(C(F)(F)F)=C3)(C1)OC21COC1	REAL300012020895	0	43	0.0	-79.88	364.80	6.63	-73.25
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012020896	0	47	0.0	-69.11	371.84	5.81	-63.30
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1F	REAL300012020897	0	43	0.0	-72.05	347.20	6.29	-65.76
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC=C3Cl)(C1)OC21COC1	REAL300012020898	0	40	0.0	-66.12	349.91	6.53	-59.59
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C=C3C(F)(F)F)(C1)OC21COC1	REAL300012020899	0	43	0.0	-71.42	355.42	6.70	-64.72
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=C(F)C(F)=C3)(C1)OC21COC1	REAL300012020900	0	40	0.0	-83.92	340.26	5.73	-78.19
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(C(F)(F)F)=C3)(C1)OC21COC1	REAL300012020901	0	43	0.0	-77.28	365.95	6.66	-70.62
O=C([O-])C12CC(C[NH2+]CC3=CC(C(F)(F)F)=CC=C3F)(C1)OC21COC1	REAL300012020902	0	43	0.0	-69.48	364.05	6.65	-62.83
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(Cl)=C1OC	REAL300012020903	0	48	0.0	-70.88	395.91	5.32	-65.56
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4S3)(C1)OC21COC1	REAL300012020904	0	43	0.0	-69.56	357.86	7.13	-62.43
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C(F)=C3)(C1)OC21COC1	REAL300012020905	0	40	0.0	-76.97	343.07	6.15	-70.82
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC=C3OC(F)F)(C1)OC21COC1	REAL300012020906	0	44	0.0	-70.66	375.10	5.73	-64.93
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=C4OCOC4=C3)(C1)OC21COC1	REAL300012020907	0	50	0.0	-74.13	403.66	4.06	-70.07
O=C([O-])C12CC(C[NH2+]CC3=CC=CN=C3Cl)(C1)OC21COC1	REAL300012020908	0	39	0.0	-70.65	328.19	4.18	-66.47
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC4=CC=NC=C4)C=C3)(C1)OC21COC1	REAL300012020909	0	53	0.0	-75.18	427.41	7.06	-68.12
CC(C)C1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012020910	0	49	0.0	-71.71	385.71	5.22	-66.49
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012020911	0	49	0.0	-68.80	401.37	5.50	-63.30
COCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012020912	0	51	0.0	-70.42	405.47	5.08	-65.34
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1Cl	REAL300012020913	0	44	0.0	-74.00	366.01	5.43	-68.57
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CC=CC=N4)=N3)(C1)OC21COC1	REAL300012020914	0	45	0.0	-71.42	381.52	4.48	-66.94
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012020915	0	52	0.0	-73.83	402.19	7.16	-66.67
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC(F)(F)F)=C3)(C1)OC21COC1	REAL300012020916	0	47	0.0	-71.86	391.41	6.27	-65.59
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCCO4)(C1)OC21COC1	REAL300012020917	0	46	0.0	-67.60	364.18	4.77	-62.83
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCCCO4)(C1)OC21COC1	REAL300012020918	0	49	0.0	-69.13	381.12	5.57	-63.56
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012020919	0	52	0.0	-73.85	411.37	7.61	-66.24
CCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012020920	0	50	0.0	-69.08	393.34	6.61	-62.47
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=CS3)(C1)OC21COC1	REAL300012020921	0	47	0.0	-70.56	387.31	8.14	-62.42
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC4CCCC4)=C3)(C1)OC21COC1	REAL300012020922	0	54	0.0	-71.85	415.35	7.74	-64.11
CC(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012020923	0	50	0.0	-68.83	389.76	6.43	-62.40
CC1=CC=C(C2=NC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CS2)C=C1	REAL300012020924	0	49	0.0	-67.70	406.73	7.05	-60.65
CC(C)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CS1	REAL300012020925	0	45	0.0	-66.64	369.03	4.58	-62.06
CC(C)(C)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CS1	REAL300012020926	0	48	0.0	-65.16	387.19	5.13	-60.03
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CSC=C4)=N3)(C1)OC21COC1	REAL300012020927	0	43	0.0	-67.57	376.36	5.31	-62.26
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC(F)=C4)S3)(C1)OC21COC1	REAL300012020928	0	47	0.0	-72.18	395.52	8.40	-63.78
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012020929	0	54	0.0	-66.81	427.27	6.43	-60.38
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3OC3CCCC3)(C1)OC21COC1	REAL300012020930	0	54	0.0	-63.31	414.97	7.82	-55.49
CC1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)S2)C=C1	REAL300012020931	0	50	0.0	-69.16	409.73	9.04	-60.12
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012020932	0	44	0.0	-70.75	382.76	6.01	-64.74
CCOC1=C(OC)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OC	REAL300012020933	0	55	0.0	-78.78	434.24	5.64	-73.14
COCCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012020934	0	54	0.0	-70.61	427.01	5.68	-64.93
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CN=C1Cl	REAL300012020935	0	42	0.0	-77.43	350.98	4.81	-72.62
COC1=CC=C(OC(F)F)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012020936	0	48	0.0	-69.41	387.84	4.49	-64.92
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=CC=C3OC(F)F)(C1)OC21COC1	REAL300012020937	0	44	0.0	-63.32	372.44	5.63	-57.69
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1OC1=CC=CN=C1	REAL300012020938	0	53	0.0	-75.67	423.65	7.28	-68.39
CC1=CC=C(C2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)S2)C=C1	REAL300012020939	0	49	0.0	-71.37	406.91	7.28	-64.09
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)(C1)OC21COC1	REAL300012020940	0	45	0.0	-64.89	376.98	6.62	-58.27
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)(C1)OC21COC1	REAL300012020941	0	45	0.0	-68.26	366.67	6.12	-62.14
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)(C1)OC21COC1	REAL300012020942	0	45	0.0	-65.99	366.70	6.18	-59.81
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C4=CC=CN=C34)(C1)OC21COC1	REAL300012020943	0	45	0.0	-67.52	375.51	6.51	-61.01
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=C(F)C=CC=C4F)O3)(C1)OC21COC1	REAL300012020944	0	47	0.0	-72.54	396.00	7.61	-64.93
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)O1	REAL300012020945	0	50	0.0	-73.00	408.45	8.19	-64.81
CCC1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)O2)C=C1	REAL300012020946	0	53	0.0	-71.29	424.39	8.88	-62.41
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(OC(F)F)=C1	REAL300012020947	0	48	0.0	-72.86	388.60	4.48	-68.38
COC1=CC=C2OC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CC2=C1	REAL300012020948	0	47	0.0	-74.73	378.61	5.36	-69.37
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=C(Cl)C=C3)(C1)OC21COC1	REAL300012020949	0	44	0.0	-72.03	368.06	7.42	-64.61
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C2=CC=CC=C2O1	REAL300012020950	0	46	0.0	-71.49	368.76	6.72	-64.77
O=C([O-])C12CC(C[NH2+]CC3=COC4=CC=CC=C34)(C1)OC21COC1	REAL300012020951	0	43	0.0	-72.67	349.18	5.93	-66.74
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4=CC=CC=C4)O3)(C1)OC21COC1	REAL300012020952	0	48	0.0	-74.65	388.02	7.31	-67.34
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1Br	REAL300012020953	0	43	0.0	-70.85	359.98	6.77	-64.08
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N=C1	REAL300012020954	0	42	0.0	-66.14	336.89	4.41	-61.73
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=C(F)C=C3F)(C1)OC21COC1	REAL300012020955	0	44	0.0	-74.13	364.22	6.95	-67.18
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1Br	REAL300012020956	0	43	0.0	-73.16	360.74	6.73	-66.43
O=C([O-])C12CC(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)(C1)OC21COC1	REAL300012020957	0	47	0.0	-70.47	380.15	6.68	-63.79
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)SC=C3)(C1)OC21COC1	REAL300012020958	0	37	0.0	-65.85	325.50	5.10	-60.75
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC4=C3OCC4)(C1)OC21COC1	REAL300012020959	0	45	0.0	-66.77	373.77	5.87	-60.90
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)(C1)OC21COC1	REAL300012020960	0	44	0.0	-75.78	358.87	5.60	-70.18
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)(C1)OC21COC1	REAL300012020961	0	44	0.0	-77.29	359.55	5.57	-71.72
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012020962	0	46	0.0	-70.53	370.28	3.15	-67.38
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC2=CC=CN=C12	REAL300012020963	0	48	0.0	-76.03	381.72	6.78	-69.25
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1Cl	REAL300012020964	0	43	0.0	-73.15	356.71	6.66	-66.49
O=C([O-])C12CC(C[NH2+]CC3=CN=C4C=CSC4=C3)(C1)OC21COC1	REAL300012020965	0	42	0.0	-76.02	352.35	5.06	-70.96
CCCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012020966	0	49	0.0	-67.61	384.87	7.79	-59.82
CCN(CC)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1F	REAL300012020967	0	54	0.0	-74.60	420.54	6.61	-67.99
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C(SC)C=C1OC	REAL300012020968	0	52	0.0	-68.54	415.62	5.69	-62.85
COC1=CC=C2N=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)SC2=C1	REAL300012020969	0	46	0.0	-71.99	382.91	4.36	-67.63
CN1C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=NC2=CC=C(Cl)C=C21	REAL300012020970	0	46	0.0	-76.14	384.79	6.46	-69.68
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1C#N	REAL300012020971	0	45	0.0	-82.18	370.20	5.29	-76.89
O=C([O-])C12CC(C[NH2+]CC3=CC=C(SC(F)F)C=C3)(C1)OC21COC1	REAL300012020972	0	44	0.0	-72.51	370.30	6.85	-65.66
CC1=CC(Cl)=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012020973	0	46	0.0	-71.35	371.16	7.13	-64.22
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)F)C(F)=C3)(C1)OC21COC1	REAL300012020974	0	44	0.0	-77.23	365.96	5.23	-72.00
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N=C1	REAL300012020975	0	46	0.0	-69.77	367.67	3.93	-65.84
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012020976	0	46	0.0	-73.89	374.05	7.20	-66.69
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC(Cl)=C1OC	REAL300012020977	0	48	0.0	-77.79	399.19	5.42	-72.37
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OCC(C)C	REAL300012020978	0	57	0.0	-73.93	442.69	7.18	-66.75
CCCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1OC	REAL300012020979	0	54	0.0	-74.22	422.58	6.50	-67.72
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)S3)(C1)OC21COC1	REAL300012020980	0	37	0.0	-71.57	333.16	5.38	-66.19
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC(Cl)=C1OC	REAL300012020981	0	51	0.0	-77.81	421.04	6.34	-71.47
C=CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012020982	0	48	0.0	-69.38	384.74	6.39	-62.99
COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1OC(C)C	REAL300012020983	0	54	0.0	-65.31	412.24	6.80	-58.51
CCOC1=C(Cl)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OC	REAL300012020984	0	51	0.0	-77.76	421.04	6.37	-71.39
CCCOC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=CC=C1OCC	REAL300012020985	0	57	0.0	-67.93	445.92	7.56	-60.37
CCCCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1OC	REAL300012020986	0	57	0.0	-75.23	444.86	7.25	-67.98
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OC(F)F	REAL300012020987	0	48	0.0	-73.38	389.77	5.04	-68.34
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1OC(F)F	REAL300012020988	0	51	0.0	-76.10	410.84	5.98	-70.12
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC(C)=C1OC(F)F	REAL300012020989	0	50	0.0	-73.65	398.57	6.53	-67.12
CCOC1=CC2=C(C=C1C[NH2+]CC13CC(C(=O)[O-])(C1)C1(COC1)O3)OC(C)C2	REAL300012020990	0	55	0.0	-65.15	428.13	6.44	-58.71
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC2=C1OCCO2	REAL300012020991	0	50	0.0	-76.55	394.18	4.61	-71.94
CCCCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1Cl	REAL300012020992	0	52	0.0	-68.09	425.34	6.63	-61.46
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1OC(F)F	REAL300012020993	0	51	0.0	-69.18	410.06	6.13	-63.05
CC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1C	REAL300012020994	0	49	0.0	-66.97	374.51	7.37	-59.60
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4)S3)(C1)OC21COC1	REAL300012020995	0	47	0.0	-70.24	389.11	8.33	-61.91
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC(F)=C4F)O3)(C1)OC21COC1	REAL300012020996	0	47	0.0	-74.50	396.20	7.62	-66.88
CC(C)(C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2)C1=CC=CC=C1	REAL300012020997	0	49	0.0	-68.25	369.33	7.25	-61.00
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2CCCCC2)=N1	REAL300012020998	0	56	0.0	-73.03	428.11	7.09	-65.94
CC1CCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)CC1	REAL300012020999	0	49	0.0	-66.38	355.29	6.30	-60.08
CC(CCC1=CC=CC=C1)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021000	0	52	0.0	-67.00	399.50	8.45	-58.55
CCC1CCCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C1	REAL300012021001	0	52	0.0	-66.03	373.82	6.91	-59.12
CC1(C)CCC2=C(C1)SC(C[NH2+]CC13CC(C(=O)[O-])(C1)C1(COC1)O3)=N2	REAL300012021002	0	52	0.0	-66.47	404.71	6.24	-60.23
CCC1=CC=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021003	0	46	0.0	-62.00	370.01	7.22	-54.78
CC1=C(C)C=C2OC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CC2=C1	REAL300012021004	0	49	0.0	-72.50	387.44	7.28	-65.22
CCCC1CCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)CC1	REAL300012021005	0	55	0.0	-66.82	402.84	7.89	-58.93
CC1CCCCC1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021006	0	49	0.0	-66.78	352.68	6.11	-60.67
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=C(Cl)C=C3)(C1)OC21COC1	REAL300012021007	0	47	0.0	-75.20	394.41	5.92	-69.28
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4C=CN=C4)C=C3)(C1)OC21COC1	REAL300012021008	0	47	0.0	-78.92	377.22	7.94	-70.98
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4F)O3)(C1)OC21COC1	REAL300012021009	0	47	0.0	-71.80	389.93	7.56	-64.24
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=C4OCCOC4=C3)(C1)OC21COC1	REAL300012021010	0	46	0.0	-75.34	380.95	5.27	-70.07
CCCCC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C2=CC=CC=C2O1	REAL300012021011	0	55	0.0	-71.66	433.24	9.05	-62.61
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=C4OCCCOC4=C3)(C1)OC21COC1	REAL300012021012	0	49	0.0	-77.27	399.38	6.08	-71.19
COC1=CC=C(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021013	0	47	0.0	-63.75	370.78	5.57	-58.18
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1F	REAL300012021014	0	44	0.0	-76.03	356.21	4.96	-71.07
O=C([O-])C12CC(C[NH2+]CC3CCC(C(F)(F)F)CC3)(C1)OC21COC1	REAL300012021015	0	49	0.0	-71.86	378.86	6.82	-65.04
CC(C)C1CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)CCO1	REAL300012021016	0	53	0.0	-69.82	391.09	5.66	-64.16
CC1(C)CCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)CC1	REAL300012021017	0	52	0.0	-67.45	376.24	6.76	-60.69
CCSC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021018	0	47	0.0	-69.20	382.16	7.44	-61.76
O=C([O-])C12CC(C[NH2+]CC3=C(O)C=CC(Cl)=C3F)(C1)OC21COC1	REAL300012021019	1	41	0.0	-67.32	351.65	3.32	-64.00
COC1(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)CCCCC1	REAL300012021020	0	50	0.0	-66.51	364.30	4.89	-61.62
CCN1N=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C2=CC=CC=C21	REAL300012021021	0	49	0.0	-70.88	393.02	6.34	-64.54
COCCC1(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)CCCCC1	REAL300012021022	0	56	0.0	-66.27	398.83	5.79	-60.48
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021023	0	50	0.0	-70.50	393.34	6.61	-63.89
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4O3)(C1)OC21COC1	REAL300012021024	0	43	0.0	-72.62	349.14	6.07	-66.55
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4)O3)(C1)OC21COC1	REAL300012021025	0	47	0.0	-71.43	381.51	7.44	-63.99
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1OC(C)C	REAL300012021026	0	54	0.0	-74.18	419.01	6.32	-67.86
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OCC	REAL300012021027	0	57	0.0	-74.33	444.44	7.42	-66.91
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1[N+](=O)[O-]	REAL300012021028	0	45	0.0	-81.14	364.68	6.78	-74.36
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021029	0	50	0.0	-70.42	389.75	6.43	-63.99
CC(C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2)CC1=CC=C(C(C)(C)C)C=C1	REAL300012021030	0	61	0.0	-67.93	453.22	9.96	-57.97
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1F	REAL300012021031	0	43	0.0	-74.42	347.98	6.24	-68.18
O=C([O-])C12CC(C[NH2+]CC3=C4NC=CC4=CC=C3)(C1)OC21COC1	REAL300012021032	0	44	0.0	-70.41	351.84	5.59	-64.82
O=C([O-])C12CC(C[NH2+]CC3=C(Br)C=CS3)(C1)OC21COC1	REAL300012021033	0	37	0.0	-63.63	330.16	5.22	-58.41
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3N3CCOCC3)(C1)OC21COC1	REAL300012021034	0	53	0.0	-66.60	405.84	5.13	-61.47
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC=C3Br)(C1)OC21COC1	REAL300012021035	0	40	0.0	-66.20	343.16	6.19	-60.01
CC(C)CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021036	0	52	0.0	-68.15	402.46	8.24	-59.91
CC1=CC=C(C2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=C2)C=C1	REAL300012021037	0	53	0.0	-71.88	416.87	9.62	-62.26
COC1=CC=C(Br)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021038	0	44	0.0	-63.34	365.38	5.47	-57.87
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1[N+](=O)[O-]	REAL300012021039	0	46	0.0	-86.74	376.79	6.29	-80.45
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)(C1)OC21COC1	REAL300012021040	0	40	0.0	-73.78	353.94	6.59	-67.19
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(Cl)=C3)(C1)OC21COC1	REAL300012021041	0	40	0.0	-74.73	343.62	6.16	-68.57
CC1=CC=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021042	0	46	0.0	-66.24	353.47	6.66	-59.58
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CO3)(C1)OC21COC1	REAL300012021043	0	37	0.0	-71.87	323.72	4.33	-67.54
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021044	0	53	0.0	-70.80	417.36	9.64	-61.16
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC(F)F)=C3)(C1)OC21COC1	REAL300012021045	0	44	0.0	-73.37	359.74	5.16	-68.21
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OCC	REAL300012021046	0	54	0.0	-74.40	422.94	6.62	-67.78
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C=C3F)(C1)OC21COC1	REAL300012021047	0	40	0.0	-70.65	343.55	6.10	-64.55
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C(C(F)(F)F)=C3)(C1)OC21COC1	REAL300012021048	0	43	0.0	-78.78	372.37	6.99	-71.79
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C=C3Br)(C1)OC21COC1	REAL300012021049	0	40	0.0	-68.90	343.94	6.17	-62.73
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC(F)(F)F)=C3)(C1)OC21COC1	REAL300012021050	0	44	0.0	-73.36	366.48	5.38	-67.98
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC=C3F)(C1)OC21COC1	REAL300012021051	0	40	0.0	-67.71	342.78	6.12	-61.59
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021052	0	54	0.0	-71.97	429.48	8.62	-63.35
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(F)=C3)(C1)OC21COC1	REAL300012021053	0	40	0.0	-75.70	333.30	5.72	-69.98
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Cl)=C3F)(C1)OC21COC1	REAL300012021054	0	40	0.0	-70.42	342.23	6.11	-64.31
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C2=CC=CC=C12	REAL300012021055	0	50	0.0	-72.25	389.81	7.07	-65.18
O=C([O-])C12CC(C[NH2+]CC3=NNC=C3C3=CC=CC=C3)(C1)OC21COC1	REAL300012021056	0	47	0.0	-65.62	378.19	5.51	-60.11
O=C([O-])C12CC(C[NH2+]CC3=C(C4=CC=CC=C4)C=NN3)(C1)OC21COC1	REAL300012021056	1	47	0.0	-71.45	378.62	5.50	-65.95
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(F)=C3F)(C1)OC21COC1	REAL300012021057	0	40	0.0	-71.72	332.34	5.67	-66.05
CN1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021058	0	46	0.0	-74.85	368.06	5.95	-68.90
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=N1	REAL300012021059	0	43	0.0	-74.85	347.52	2.27	-72.58
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OCCC4=C3)(C1)OC21COC1	REAL300012021060	0	45	0.0	-72.50	356.37	5.42	-67.08
O=C([O-])C12CC(C[NH2+]CC3=CSC(Br)=C3)(C1)OC21COC1	REAL300012021061	0	37	0.0	-72.33	332.92	5.24	-67.09
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=CC=C4)=C3)(C1)OC21COC1	REAL300012021062	0	50	0.0	-71.04	394.70	8.99	-62.05
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3OCC3=CC=CN=C3)(C1)OC21COC1	REAL300012021063	0	53	0.0	-65.72	426.00	7.12	-58.60
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)(C1)OC21COC1	REAL300012021064	0	51	0.0	-73.03	394.40	5.49	-67.54
O=C([O-])C12CC(C[NH2+]CC3=C4C=CNC4=CC=C3)(C1)OC21COC1	REAL300012021065	0	44	0.0	-67.43	352.44	5.57	-61.86
CC1=CC(F)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021066	0	43	0.0	-72.12	341.68	6.27	-65.85
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C(F)=C3)(C1)OC21COC1	REAL300012021067	0	40	0.0	-77.02	347.49	6.25	-70.77
CC1=NC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021068	0	42	0.0	-70.52	346.73	4.00	-66.52
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=CC=N4)=C3)(C1)OC21COC1	REAL300012021069	0	49	0.0	-69.42	392.20	7.46	-61.96
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)(C1)OC21COC1	REAL300012021070	0	49	0.0	-73.76	390.49	7.20	-66.56
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)(C1)OC21COC1	REAL300012021071	0	49	0.0	-75.50	390.68	7.20	-68.30
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021072	0	55	0.0	-70.11	414.47	6.13	-63.98
CN1CCN(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)C=C2)CC1	REAL300012021073	1	57	0.0	-70.11	430.47	4.26	-65.85
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4=CN=CC=N4)C=C3)(C1)OC21COC1	REAL300012021074	0	49	0.0	-76.85	402.67	4.05	-72.80
CNC(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021075	0	47	0.0	-80.23	376.95	3.86	-76.37
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=C3)(C1)OC21COC1	REAL300012021076	0	47	0.0	-76.53	385.72	6.86	-69.67
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=C(Cl)C=C4)N=C3)(C1)OC21COC1	REAL300012021077	0	47	0.0	-75.95	396.04	7.31	-68.64
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC(F)(F)F)C=C3)(C1)OC21COC1	REAL300012021078	0	47	0.0	-74.05	391.41	6.27	-67.78
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4C=C3)(C1)OC21COC1	REAL300012021079	0	46	0.0	-70.99	366.59	7.84	-63.15
COC1=C2OC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CC2=CC=C1	REAL300012021080	0	47	0.0	-74.62	378.64	5.37	-69.25
CC(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1[N+](=O)[O-]	REAL300012021081	0	51	0.0	-82.50	406.34	8.06	-74.44
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021082	0	56	0.0	-73.05	443.45	8.15	-64.90
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CC=C3F)(C1)OC21COC1	REAL300012021083	0	40	0.0	-67.67	347.34	6.23	-61.44
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C=C3F)(C1)OC21COC1	REAL300012021084	0	40	0.0	-70.81	348.12	6.21	-64.60
COC1=CC(OC)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021085	0	48	0.0	-70.39	379.48	4.19	-66.20
COC1=CC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)C=C2C=C1	REAL300012021086	0	50	0.0	-74.98	396.72	7.10	-67.88
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CS3)(C1)OC21COC1	REAL300012021088	0	37	0.0	-69.39	332.17	5.31	-64.08
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021089	0	53	0.0	-73.60	418.18	7.70	-65.90
COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1OC(F)F	REAL300012021090	0	48	0.0	-67.84	387.47	5.15	-62.69
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CSC(F)F)O3)(C1)OC21COC1	REAL300012021091	0	44	0.0	-72.35	381.79	6.13	-66.22
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4NC3=O)(C1)OC21COC1	REAL300012021092	0	46	0.0	-71.02	371.61	4.61	-66.41
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(Br)=C3)(C1)OC21COC1	REAL300012021094	0	40	0.0	-76.78	347.49	6.24	-70.54
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCCCC4)C=C3)(C1)OC21COC1	REAL300012021095	0	55	0.0	-68.31	413.42	6.87	-61.44
CCCCCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021096	0	59	0.0	-68.85	457.83	8.95	-59.90
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1SC	REAL300012021097	0	48	0.0	-74.65	389.40	5.93	-68.72
N#CCCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021098	0	51	0.0	-75.83	414.19	7.13	-68.70
CCC(C)OC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1OC	REAL300012021099	0	57	0.0	-74.17	439.76	7.11	-67.06
C=C(C)COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1OC	REAL300012021100	0	55	0.0	-75.20	433.40	7.06	-68.14
C=CCC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC(OC)=C1O	REAL300012021101	0	52	0.0	-75.63	416.13	4.70	-70.93
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NN3)(C1)OC21COC1	REAL300012021102	0	47	0.0	-77.77	379.88	5.51	-72.26
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021103	0	49	0.0	-73.85	398.68	6.53	-67.32
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=CC=C4)N=N3)(C1)OC21COC1	REAL300012021104	0	46	0.0	-75.99	374.16	5.37	-70.62
O=C([O-])C12CC(C[NH2+]CC3=NC(C4=CC=CC=C4)=CS3)(C1)OC21COC1	REAL300012021105	0	46	0.0	-70.58	384.41	6.33	-64.25
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCOCC4)C(F)=C3)(C1)OC21COC1	REAL300012021106	0	53	0.0	-75.60	414.53	4.72	-70.88
CN1C=NC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CC=C21	REAL300012021107	0	46	0.0	-74.07	368.87	6.93	-67.14
CCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1C	REAL300012021108	0	49	0.0	-70.91	384.18	5.23	-65.68
C=CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1Cl	REAL300012021109	0	48	0.0	-74.22	400.77	6.94	-67.28
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CC=CC=C4)S3)(C1)OC21COC1	REAL300012021110	0	46	0.0	-71.50	385.51	6.60	-64.90
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C2OC(C)CC2=C1	REAL300012021111	0	52	0.0	-66.87	407.70	5.43	-61.44
CC1(C)CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CC=C2O1	REAL300012021112	0	51	0.0	-72.41	397.89	6.83	-65.58
O=C([O-])C12CC(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)(C1)OC21COC1	REAL300012021113	0	46	0.0	-71.69	377.92	3.99	-67.70
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CC=CS4)=N3)(C1)OC21COC1	REAL300012021114	0	43	0.0	-69.20	377.74	5.38	-63.82
CC1=CC=CC(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021115	0	50	0.0	-72.81	398.85	6.07	-66.74
CC1=CC=C(F)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021116	0	43	0.0	-65.20	346.41	6.30	-58.90
CC1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021117	0	43	0.0	-71.11	342.46	6.25	-64.86
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC(C(F)(F)F)=C3)(C1)OC21COC1	REAL300012021118	0	43	0.0	-76.27	376.27	7.10	-69.17
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(Br)=C1	REAL300012021119	0	43	0.0	-63.99	358.96	6.77	-57.22
CC1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021120	0	42	0.0	-72.29	331.19	4.36	-67.93
CC(C)COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021121	0	53	0.0	-70.20	413.44	7.30	-62.90
COCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021122	0	51	0.0	-72.55	405.46	5.08	-67.47
CC1(C)CCCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C1	REAL300012021123	0	52	0.0	-67.05	375.97	6.80	-60.25
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)F)C(Cl)=C3)(C1)OC21COC1	REAL300012021124	0	44	0.0	-75.48	375.76	5.70	-69.78
CC1=CCCC(C)C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021125	0	50	0.0	-64.25	364.04	6.90	-57.35
COC1=CC2=C(C=C1C[NH2+]CC13CC(C(=O)[O-])(C1)C1(COC1)O3)OCO2	REAL300012021126	0	47	0.0	-70.23	375.37	3.56	-66.67
O=C([O-])C12CC(C[NH2+]CC3=CN=CC4=CC=CC=C43)(C1)OC21COC1	REAL300012021127	0	45	0.0	-71.01	356.90	5.94	-65.07
CC(C)COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021128	0	53	0.0	-69.45	414.22	7.28	-62.17
CC1=CC(Cl)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021129	0	43	0.0	-70.97	352.01	6.71	-64.26
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=C(F)C=C3)(C1)OC21COC1	REAL300012021130	0	44	0.0	-72.88	357.75	6.97	-65.91
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)N=C3)(C1)OC21COC1	REAL300012021131	0	39	0.0	-77.50	332.19	4.22	-73.28
O=C([O-])C12CC(C[NH2+]CC3=CN=CC(Br)=C3)(C1)OC21COC1	REAL300012021132	0	39	0.0	-74.66	336.65	4.40	-70.26
CN1N=NC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CC=C21	REAL300012021133	0	45	0.0	-81.01	364.47	4.03	-76.98
O=C([O-])C12CC(C[NH2+]CC3CCCCCC3)(C1)OC21COC1	REAL300012021134	0	49	0.0	-66.06	352.59	6.37	-59.69
CC1(C)CC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=C2O1	REAL300012021135	0	51	0.0	-64.05	398.47	6.76	-57.29
COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021136	0	43	0.0	-70.66	348.43	2.22	-68.44
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2=CC=CC=C2)=N1	REAL300012021137	0	50	0.0	-72.01	400.56	6.68	-65.33
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)(C1)OC21COC1	REAL300012021138	0	47	0.0	-72.18	378.84	6.78	-65.40
CC(C)N1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=N1	REAL300012021139	0	46	0.0	-70.69	363.50	4.78	-65.91
CC1=C(Br)SC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021140	0	40	0.0	-71.58	352.75	5.98	-65.60
CC1=NC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)C=C2C=C1	REAL300012021141	0	48	0.0	-77.51	383.96	6.52	-70.99
O=C([O-])C12CC(C[NH2+]CC3=NC=CC=C3C(F)(F)F)(C1)OC21COC1	REAL300012021142	0	42	0.0	-61.87	344.66	4.66	-57.21
CC1=CC(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)C=C2)=CC(C)=C1	REAL300012021143	0	56	0.0	-72.00	438.28	10.28	-61.72
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1N1C=NC=N1	REAL300012021144	0	49	0.0	-79.67	394.78	9.12	-70.55
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)(C1)OC21COC1	REAL300012021145	0	43	0.0	-75.37	355.56	6.15	-69.22
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC(F)F)C=C3)(C1)OC21COC1	REAL300012021146	0	47	0.0	-75.55	384.85	6.13	-69.42
COCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021147	0	47	0.0	-69.55	375.54	5.30	-64.25
CCCCOC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021148	0	53	0.0	-63.50	414.21	7.44	-56.06
O=C([O-])C12CC(C[NH2+]CC3=CC=C(SC4=CC=CC=C4)C=C3)(C1)OC21COC1	REAL300012021149	0	51	0.0	-74.41	421.08	9.68	-64.73
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C(OC(F)F)C=C1C	REAL300012021150	0	50	0.0	-68.93	398.24	6.42	-62.51
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OC	REAL300012021151	0	51	0.0	-73.95	394.80	5.36	-68.59
CN1C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=NC2=CC(Cl)=CC=C21	REAL300012021152	0	46	0.0	-77.32	384.02	6.45	-70.87
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CSC=C3)(C1)OC21COC1	REAL300012021153	0	44	0.0	-72.64	368.03	4.41	-68.23
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4=CC=C(F)C=C4)N=C3)(C1)OC21COC1	REAL300012021154	0	50	0.0	-74.84	411.13	7.32	-67.52
CC1CCC2=C(C1)SC(C[NH2+]CC13CC(C(=O)[O-])(C1)C1(COC1)O3)=N2	REAL300012021155	0	49	0.0	-67.00	390.13	5.94	-61.06
CC(C)(C)C1CCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)CC1	REAL300012021156	0	58	0.0	-67.01	404.04	7.63	-59.38
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021157	0	54	0.0	-66.72	423.50	8.34	-58.38
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021158	0	54	0.0	-66.91	423.50	8.32	-58.59
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C(C)O1	REAL300012021159	0	43	0.0	-68.60	343.10	5.17	-63.43
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021160	0	53	0.0	-70.51	418.68	6.58	-63.93
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC4CC4)C=C3)(C1)OC21COC1	REAL300012021161	0	51	0.0	-70.81	403.51	7.39	-63.42
COC1=CC(Cl)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1Cl	REAL300012021162	0	44	0.0	-68.86	379.45	5.85	-63.01
CC(C)CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021163	0	48	0.0	-70.43	387.70	5.51	-64.92
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CC=CS4)S3)(C1)OC21COC1	REAL300012021164	0	43	0.0	-72.51	378.16	5.64	-66.87
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CSC=C4)S3)(C1)OC21COC1	REAL300012021165	0	43	0.0	-71.39	376.64	5.55	-65.84
CC1=CC=C(C2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)S2)O1	REAL300012021166	0	46	0.0	-73.59	390.19	5.51	-68.08
CC1=CC(Br)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021167	0	43	0.0	-71.08	356.57	6.82	-64.26
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=CC=C3F)(C1)OC21COC1	REAL300012021168	0	47	0.0	-75.83	384.22	5.50	-70.33
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3F)(C1)OC21COC1	REAL300012021169	0	49	0.0	-72.97	396.22	7.24	-65.73
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)OC4=CC=CC=C43)(C1)OC21COC1	REAL300012021170	0	43	0.0	-69.66	365.39	6.50	-63.16
COCCOC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021171	0	51	0.0	-63.35	404.84	5.11	-58.24
COC1=C(Br)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021172	0	44	0.0	-69.47	370.46	5.62	-63.85
O=C([O-])C12CC(C[NH2+]CC3=NC4=C(CCC4)S3)(C1)OC21COC1	REAL300012021173	0	43	0.0	-67.52	351.11	4.75	-62.77
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2=CC=CS2)=N1	REAL300012021174	0	47	0.0	-67.68	387.96	6.00	-61.68
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021175	0	44	0.0	-70.79	349.98	4.88	-65.91
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C(F)C=C4)O3)(C1)OC21COC1	REAL300012021176	0	47	0.0	-73.12	387.91	7.51	-65.61
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021177	0	48	0.0	-69.17	387.32	5.37	-63.80
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OCCOC4=C3)(C1)OC21COC1	REAL300012021178	0	46	0.0	-73.03	364.98	4.74	-68.29
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Br)=C3)(C1)OC21COC1	REAL300012021179	0	40	0.0	-71.10	341.77	6.20	-64.90
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Cl)=C3)(C1)OC21COC1	REAL300012021180	0	40	0.0	-71.01	337.21	6.09	-64.92
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=CC=C4)N=C3)(C1)OC21COC1	REAL300012021181	0	47	0.0	-74.68	379.31	6.79	-67.89
CC(C)(C)N1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=N1	REAL300012021182	0	49	0.0	-70.38	383.24	5.40	-64.98
CC1=CC(C)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021183	0	46	0.0	-67.57	363.30	6.90	-60.67
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CO)O3)(C1)OC21COC1	REAL300012021184	0	41	0.0	-71.83	335.33	1.17	-70.66
CC(=O)NC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021185	0	47	0.0	-74.82	376.84	4.47	-70.35
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3Cl)(C1)OC21COC1	REAL300012021186	0	40	0.0	-64.96	333.14	6.03	-58.93
O=C([O-])C12CC(C[NH2+]CC3=CC=CC([N+](=O)[O-])=C3)(C1)OC21COC1	REAL300012021187	0	42	0.0	-82.23	348.69	6.25	-75.98
O=C([O-])C12CC(C[NH2+]CC3=CC=C([N+](=O)[O-])C=C3)(C1)OC21COC1	REAL300012021188	0	42	0.0	-85.63	349.48	6.22	-79.41
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=CC=CC=C43)(C1)OC21COC1	REAL300012021189	0	46	0.0	-70.35	362.24	7.69	-62.66
CN(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021190	0	48	0.0	-68.13	372.76	5.95	-62.18
CCN(CC)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021191	0	54	0.0	-66.35	415.61	7.89	-58.46
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C=C3)(C1)OC21COC1	REAL300012021192	0	40	0.0	-72.50	341.77	6.21	-66.29
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C=C3)(C1)OC21COC1	REAL300012021193	0	40	0.0	-72.29	337.20	6.10	-66.19
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC(OC)=C1OC	REAL300012021194	0	52	0.0	-78.86	412.39	4.70	-74.16
O=C([O-])C12CC(C[NH2+]CC3=C(F)C=CC=C3Cl)(C1)OC21COC1	REAL300012021195	0	40	0.0	-60.98	339.84	6.01	-54.97
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C=C3)(C1)OC21COC1	REAL300012021196	0	40	0.0	-73.48	326.89	5.65	-67.83
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3OC(F)F)(C1)OC21COC1	REAL300012021197	0	44	0.0	-69.20	359.12	5.20	-64.00
COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1OC	REAL300012021198	0	48	0.0	-67.99	379.27	4.83	-63.16
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C=C3Cl)(C1)OC21COC1	REAL300012021199	0	40	0.0	-68.73	350.69	6.51	-62.22
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCOCC4)C=C3)(C1)OC21COC1	REAL300012021200	0	53	0.0	-71.14	405.27	4.39	-66.75
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OC	REAL300012021201	0	48	0.0	-74.58	379.23	4.78	-69.80
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(OC)=C1	REAL300012021202	0	48	0.0	-66.76	378.84	4.21	-62.55
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3)(C1)OC21COC1	REAL300012021203	0	43	0.0	-75.36	359.21	6.58	-68.78
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C=C3F)(C1)OC21COC1	REAL300012021204	0	40	0.0	-71.49	333.23	5.65	-65.84
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Cl)=C3Cl)(C1)OC21COC1	REAL300012021205	0	40	0.0	-68.55	348.37	6.48	-62.07
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C(Cl)=C3)(C1)OC21COC1	REAL300012021206	0	40	0.0	-75.59	352.40	6.55	-69.04
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)F)C=C3)(C1)OC21COC1	REAL300012021207	0	44	0.0	-72.89	359.73	5.16	-67.73
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3C(F)(F)F)(C1)OC21COC1	REAL300012021208	0	43	0.0	-66.71	349.03	6.64	-60.07
CCCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021209	0	53	0.0	-70.51	414.84	7.39	-63.12
CC(C)CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021210	0	56	0.0	-70.46	432.40	7.91	-62.55
CCCCCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021211	0	59	0.0	-70.36	457.83	8.95	-61.41
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC4=CC=CC=C4)=C3)(C1)OC21COC1	REAL300012021212	0	51	0.0	-71.32	410.89	8.51	-62.81
COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021213	0	44	0.0	-69.36	349.99	4.88	-64.48
CC(=CC1=CC=CC=C1)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021214	0	47	0.0	-68.73	367.34	7.35	-61.38
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OC	REAL300012021215	0	51	0.0	-74.44	401.08	5.70	-68.74
CC(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021216	0	49	0.0	-68.26	381.48	7.48	-60.78
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C(F)(F)F)=C3)(C1)OC21COC1	REAL300012021217	0	43	0.0	-74.54	360.00	6.55	-67.99
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(OC)=C1OC	REAL300012021218	0	52	0.0	-72.11	413.21	4.75	-67.36
CCOC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021219	0	47	0.0	-63.33	371.26	5.84	-57.49
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021220	0	47	0.0	-70.64	371.84	5.81	-64.83
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3F)(C1)OC21COC1	REAL300012021221	0	40	0.0	-66.63	325.83	5.60	-61.03
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(F)=C3)(C1)OC21COC1	REAL300012021222	0	40	0.0	-72.13	326.89	5.65	-66.48
COC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021223	0	44	0.0	-63.84	349.36	4.93	-58.91
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)SC=C1	REAL300012021224	0	40	0.0	-66.49	329.88	5.19	-61.30
COC1=CC=C(Br)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021225	0	44	0.0	-66.05	370.70	5.53	-60.52
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4)C=C3)(C1)OC21COC1	REAL300012021226	0	50	0.0	-71.79	395.47	8.97	-62.82
CC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021227	0	43	0.0	-66.48	335.27	6.20	-60.28
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C2=CC=CC=C2C=C1	REAL300012021228	0	50	0.0	-63.67	390.85	7.06	-56.61
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021229	0	43	0.0	-67.57	341.88	6.26	-61.31
N#CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021230	0	41	0.0	-79.46	341.33	5.98	-73.48
CSC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021231	0	44	0.0	-71.23	360.69	6.61	-64.62
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=CC=C3Cl)(C1)OC21COC1	REAL300012021232	0	40	0.0	-59.52	348.39	6.41	-53.11
COC1=CC(OC)=C(OC)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021233	0	52	0.0	-69.84	408.09	4.12	-65.72
CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021234	0	43	0.0	-68.40	342.67	6.21	-62.19
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021235	0	46	0.0	-67.50	363.37	7.02	-60.48
CC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=C1	REAL300012021236	0	49	0.0	-66.12	374.88	7.31	-58.81
O=C([O-])C12CC(C[NH2+]CC3=C(F)C=CC=C3F)(C1)OC21COC1	REAL300012021237	0	40	0.0	-62.17	330.91	5.64	-56.53
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(F)=C3)(C1)OC21COC1	REAL300012021238	0	40	0.0	-78.58	333.18	5.70	-72.88
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC4=CC=CC=C4)=C3)(C1)OC21COC1	REAL300012021239	0	54	0.0	-70.21	431.74	8.86	-61.35
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021240	0	40	0.0	-67.07	333.37	5.45	-61.62
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3Br)(C1)OC21COC1	REAL300012021241	0	40	0.0	-64.40	336.72	6.14	-58.26
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1O	REAL300012021242	0	45	0.0	-73.85	360.74	2.72	-71.13
CC1=NN(C)C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021243	0	46	0.0	-71.26	362.37	4.36	-66.90
CC1=NN(C)C(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021244	0	43	0.0	-68.16	358.63	4.22	-63.94
CCC1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021245	0	46	0.0	-71.94	364.43	4.71	-67.23
O=C([O-])C12CC(C[NH2+]CC3=CN(CC(F)(F)F)N=C3)(C1)OC21COC1	REAL300012021246	0	43	0.0	-76.96	362.70	4.75	-72.21
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C(C)(C)C)=N1	REAL300012021247	0	52	0.0	-70.16	391.98	5.67	-64.49
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)O3)(C1)OC21COC1	REAL300012021248	0	37	0.0	-72.30	319.08	4.30	-68.00
CN(CCC#N)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021249	0	52	0.0	-72.11	414.66	7.44	-64.67
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1OC	REAL300012021250	0	51	0.0	-67.82	401.07	5.75	-62.07
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OCC(N)=O	REAL300012021251	0	52	0.0	-88.13	417.81	2.74	-85.39
C#CCOC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021252	0	46	0.0	-64.14	377.00	6.40	-57.74
CC1=NOC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021253	0	42	0.0	-74.57	337.61	4.37	-70.20
CC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CS1	REAL300012021254	0	39	0.0	-66.82	327.82	3.28	-63.54
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC2=C1OCO2	REAL300012021255	0	47	0.0	-80.70	376.84	3.50	-77.20
O=C([O-])C12CC(C[NH2+]CC3=NN(C4=CC=CC=C4)N=C3)(C1)OC21COC1	REAL300012021256	0	46	0.0	-73.34	374.91	5.37	-67.97
COC1=CC2=C(C=C1C[NH2+]CC13CC(C(=O)[O-])(C1)C1(COC1)O3)OC(C)C2	REAL300012021257	0	52	0.0	-65.70	406.29	5.51	-60.19
CCN(C(C)=O)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CS1	REAL300012021258	1	49	0.0	-71.51	399.19	5.36	-66.15
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1C	REAL300012021259	0	47	0.0	-71.37	370.84	5.59	-65.78
CC(C)(C)C1=NNC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021260	0	49	0.0	-70.51	369.01	4.35	-66.16
COC1=CC=CC(OC)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021261	0	48	0.0	-58.70	376.61	4.31	-54.39
COC1=CC=C(F)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021262	0	44	0.0	-66.08	354.48	4.92	-61.16
CSC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021263	0	41	0.0	-69.96	354.78	5.87	-64.09
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021264	0	53	0.0	-62.85	409.60	9.39	-53.46
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCO4)(C1)OC21COC1	REAL300012021265	0	43	0.0	-69.29	346.49	4.23	-65.06
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=CS3)(C1)OC21COC1	REAL300012021266	0	37	0.0	-63.81	325.99	5.13	-58.68
CS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021267	0	46	0.0	-81.95	381.94	3.08	-78.87
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)C=C3)(C1)OC21COC1	REAL300012021268	0	50	0.0	-71.91	411.41	9.52	-62.39
COC1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021269	0	44	0.0	-67.00	355.80	4.98	-62.02
NC(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021270	0	44	0.0	-79.92	355.02	2.37	-77.55
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1F	REAL300012021271	0	44	0.0	-77.68	356.21	4.95	-72.73
COC1=CC=C(Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021272	0	44	0.0	-66.05	366.13	5.43	-60.62
COC(=O)C1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CN1C	REAL300012021273	0	47	0.0	-74.95	379.91	5.77	-69.18
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1Cl	REAL300012021274	0	43	0.0	-70.84	355.94	6.69	-64.15
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1C	REAL300012021275	0	47	0.0	-70.57	370.06	5.63	-64.94
CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1F	REAL300012021276	0	43	0.0	-66.31	347.14	6.23	-60.08
N#CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(F)=C1	REAL300012021277	0	41	0.0	-77.48	347.64	5.97	-71.51
CC1=NNC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021278	0	43	0.0	-71.14	340.97	3.12	-68.02
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC4=CC=CC=N4)=C3)(C1)OC21COC1	REAL300012021279	0	53	0.0	-73.20	425.29	7.13	-66.07
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C=N3)(C1)OC21COC1	REAL300012021280	0	39	0.0	-70.12	336.77	4.36	-65.76
O=C([O-])C12CC(C[NH2+]CC3=CN=C(N4CCOCC4)S3)(C1)OC21COC1	REAL300012021281	0	49	0.0	-73.00	394.93	2.87	-70.13
C#CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021282	0	49	0.0	-71.41	399.12	7.13	-64.28
O=C([O-])C12CC(C[NH2+]CC3=CN4C=CC=CC4=N3)(C1)OC21COC1	REAL300012021283	0	43	0.0	-68.93	347.45	6.10	-62.83
CC1=NN(C)C2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)C=C12	REAL300012021284	0	48	0.0	-81.41	386.75	5.31	-76.10
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4CC4)=N3)(C1)OC21COC1	REAL300012021285	0	43	0.0	-65.93	356.93	4.81	-61.12
CCC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CS1	REAL300012021286	0	42	0.0	-66.76	349.31	4.03	-62.73
O=C([O-])C12CC(C[NH2+]CC3=CN4C=C(Cl)C=CC4=N3)(C1)OC21COC1	REAL300012021287	0	43	0.0	-70.67	364.96	6.57	-64.10
CC1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021288	0	43	0.0	-71.84	342.95	3.97	-67.87
CCOCC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1OC	REAL300012021289	0	54	0.0	-68.87	424.07	5.79	-63.08
CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=N1	REAL300012021290	0	43	0.0	-71.46	344.83	4.25	-67.21
NC(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021291	0	44	0.0	-74.52	355.03	2.35	-72.17
O=C([O-])C12CC(C[NH2+]CC3=NC=CN3CC(F)(F)F)(C1)OC21COC1	REAL300012021292	0	43	0.0	-72.64	358.46	5.03	-67.61
O=C([O-])C12CC(C[NH2+]CC3CCCCCCC3)(C1)OC21COC1	REAL300012021293	0	52	0.0	-66.80	362.88	6.75	-60.05
CC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021294	0	39	0.0	-67.96	327.85	3.29	-64.67
COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1F	REAL300012021295	0	44	0.0	-69.06	355.36	4.92	-64.14
O=C([O-])C12CC(C[NH2+]CC3=C(F)C=CC=C3Br)(C1)OC21COC1	REAL300012021296	0	40	0.0	-60.46	343.87	6.10	-54.36
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCCC4=C3)(C1)OC21COC1	REAL300012021297	0	47	0.0	-68.05	365.99	7.49	-60.56
O=C([O-])C12CC(C[NH2+]CC3=CSC=C3Br)(C1)OC21COC1	REAL300012021298	0	37	0.0	-64.38	328.77	5.10	-59.28
CC(C)COC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021299	0	53	0.0	-63.44	412.82	7.34	-56.10
CCN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021300	0	43	0.0	-73.91	338.97	4.07	-69.84
O=C([O-])C12CC(C[NH2+]CC3=NC4=C(CCCC4)S3)(C1)OC21COC1	REAL300012021301	0	46	0.0	-66.78	369.00	5.33	-61.45
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(Br)=C3)(C1)OC21COC1	REAL300012021302	0	40	0.0	-74.74	348.19	6.27	-68.47
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=NC=C4C=C3)(C1)OC21COC1	REAL300012021303	0	45	0.0	-75.99	361.48	6.06	-69.93
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(F)=C3Br)(C1)OC21COC1	REAL300012021304	0	40	0.0	-68.92	342.48	6.17	-62.75
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)SC=N1	REAL300012021305	0	39	0.0	-69.99	324.39	3.33	-66.66
COC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021306	0	44	0.0	-72.90	356.40	4.95	-67.95
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Br)=C3F)(C1)OC21COC1	REAL300012021307	0	40	0.0	-70.60	346.64	6.22	-64.38
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=N1	REAL300012021308	0	50	0.0	-75.37	392.11	5.54	-69.83
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=CS1	REAL300012021309	0	40	0.0	-68.24	329.41	5.29	-62.95
CS(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021310	0	45	0.0	-81.32	372.69	4.18	-77.14
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCCCC4=C3)(C1)OC21COC1	REAL300012021311	0	50	0.0	-67.61	383.17	8.07	-59.54
N#CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021312	0	40	0.0	-78.28	337.20	4.03	-74.25
COC(=O)C1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CN1	REAL300012021313	0	44	0.0	-75.28	362.14	4.02	-71.26
COCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)O1	REAL300012021314	0	44	0.0	-71.03	357.58	3.57	-67.46
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=C1OC	REAL300012021315	0	51	0.0	-73.06	394.23	5.47	-67.59
O=C([O-])C12CC(C[NH2+]CC3=CSC(Cl)=C3Cl)(C1)OC21COC1	REAL300012021316	0	37	0.0	-69.29	342.23	5.55	-63.74
CC1=NC(F)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021317	0	42	0.0	-78.31	336.83	4.33	-73.98
COC1=CC(C)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021318	0	47	0.0	-63.81	370.79	5.58	-58.23
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CS1	REAL300012021319	0	40	0.0	-67.72	332.34	5.33	-62.39
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N=N1	REAL300012021320	0	41	0.0	-73.93	332.78	3.27	-70.66
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C(F)(F)F)S3)(C1)OC21COC1	REAL300012021321	0	39	0.0	-77.97	346.55	4.00	-73.97
CS(=O)(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021322	0	46	0.0	-79.59	381.18	3.10	-76.49
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CS3)(C1)OC21COC1	REAL300012021323	0	37	0.0	-69.66	327.58	5.20	-64.46
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4CCCC4)C=C3)(C1)OC21COC1	REAL300012021324	0	53	0.0	-68.39	404.81	8.74	-59.65
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N(C)N=C1	REAL300012021325	0	43	0.0	-75.01	342.16	3.71	-71.30
CC1=CC(Cl)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021326	0	43	0.0	-70.95	358.62	6.75	-64.20
COCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021327	0	47	0.0	-70.92	376.32	5.27	-65.65
O=C([O-])C12CC(C[NH2+]CC3=NC=CN3C3=CC=CC=C3)(C1)OC21COC1	REAL300012021328	0	47	0.0	-65.70	378.28	7.24	-58.46
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4CC4)C=C3)(C1)OC21COC1	REAL300012021329	0	47	0.0	-68.11	369.70	7.69	-60.42
O=C([O-])C12CC(C[NH2+]CC3=NC=C(Cl)S3)(C1)OC21COC1	REAL300012021330	0	36	0.0	-70.72	323.10	3.32	-67.40
C=CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=N1	REAL300012021331	0	41	0.0	-73.72	335.08	4.59	-69.13
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3C3CCCC3)(C1)OC21COC1	REAL300012021332	0	50	0.0	-74.86	386.62	6.09	-68.77
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021333	0	50	0.0	-67.70	395.15	7.18	-60.52
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)F)C=C3)(C1)OC21COC1	REAL300012021334	0	43	0.0	-72.74	352.66	6.45	-66.29
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=N1	REAL300012021335	0	49	0.0	-73.52	381.32	3.33	-70.19
COC1=CC=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021336	0	44	0.0	-59.15	362.69	5.35	-53.80
CCC1=CC(OC)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021337	0	50	0.0	-69.41	383.44	6.16	-63.25
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N1C1=CC=CC=C1	REAL300012021338	0	50	0.0	-67.39	399.51	7.85	-59.54
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=NN1C	REAL300012021339	0	43	0.0	-70.58	340.08	3.84	-66.74
CCCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1C	REAL300012021340	0	52	0.0	-70.72	404.65	5.94	-64.78
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CC4)N=C3)(C1)OC21COC1	REAL300012021341	0	45	0.0	-76.22	362.29	5.25	-70.97
COCCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=N1	REAL300012021342	0	47	0.0	-72.63	378.50	3.30	-69.33
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4CCC4)C=C3)(C1)OC21COC1	REAL300012021343	0	50	0.0	-67.56	386.23	8.17	-59.39
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC2=CC=CC=C21	REAL300012021344	0	50	0.0	-73.26	394.95	7.19	-66.07
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1F	REAL300012021345	0	47	0.0	-76.03	378.06	5.88	-70.15
COC1=CC=CC2=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)C=CC=C12	REAL300012021346	0	50	0.0	-73.12	390.65	7.03	-66.09
N#CC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021347	0	38	0.0	-78.27	332.52	5.07	-73.20
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1C#N	REAL300012021348	0	45	0.0	-83.88	370.19	5.30	-78.58
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021349	0	50	0.0	-71.43	396.57	7.38	-64.05
O=C([O-])C12CC(C[NH2+]CC3=NC=C(C(F)(F)F)S3)(C1)OC21COC1	REAL300012021350	0	39	0.0	-73.57	346.61	3.86	-69.71
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1C#N	REAL300012021351	0	44	0.0	-80.79	361.27	6.44	-74.35
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(C=C3OC(F)F)OCO4)(C1)OC21COC1	REAL300012021352	0	47	0.0	-76.01	385.12	3.86	-72.15
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(Br)=C1	REAL300012021353	0	44	0.0	-67.12	367.02	5.39	-61.73
CC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021354	0	39	0.0	-67.40	327.96	3.49	-63.91
CC(C)CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=N1	REAL300012021355	0	49	0.0	-70.86	386.14	5.79	-65.07
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3C3CC3)(C1)OC21COC1	REAL300012021356	0	47	0.0	-66.54	363.51	7.58	-58.96
CC1=CC(Br)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021357	0	40	0.0	-63.23	352.04	6.02	-57.21
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021358	0	55	0.0	-73.43	430.18	8.29	-65.14
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021359	0	50	0.0	-57.74	409.69	8.28	-49.46
CCC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021360	0	42	0.0	-67.33	349.44	4.28	-63.05
CN1C(=O)CCC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CC=C21	REAL300012021361	0	51	0.0	-79.89	397.12	6.45	-73.44
CC1=CC=C(OC(F)F)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021362	0	47	0.0	-69.07	380.57	5.87	-63.20
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CC=CC=C4F)S3)(C1)OC21COC1	REAL300012021363	0	46	0.0	-74.19	390.01	6.84	-67.35
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC=C3OCC3CC3)(C1)OC21COC1	REAL300012021364	0	51	0.0	-65.75	419.66	7.94	-57.81
CC1=NN(C(C)C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021365	0	49	0.0	-70.85	383.17	5.36	-65.49
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CCCC4)S3)(C1)OC21COC1	REAL300012021366	0	49	0.0	-70.26	393.15	6.19	-64.07
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CC4)S3)(C1)OC21COC1	REAL300012021367	0	43	0.0	-70.78	359.17	5.20	-65.58
CC(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021368	0	45	0.0	-69.46	369.45	4.90	-64.56
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CC=CO4)S3)(C1)OC21COC1	REAL300012021369	0	43	0.0	-73.70	368.28	4.68	-69.02
CN1C=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)C=C2)C=N1	REAL300012021370	0	50	0.0	-74.71	401.38	6.86	-67.85
O=C([O-])C12CC(C[NH2+]CC3=CN(CC(F)F)N=C3)(C1)OC21COC1	REAL300012021371	0	43	0.0	-73.53	357.81	4.54	-68.99
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4=CC=CC(F)=C4)C=C3)(C1)OC21COC1	REAL300012021372	0	51	0.0	-74.02	415.59	8.51	-65.51
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2=CC=C(F)C=C2)=N1	REAL300012021373	0	50	0.0	-74.95	406.31	6.81	-68.14
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2=CC=C(C#N)C=C2)=N1	REAL300012021374	0	51	0.0	-81.10	421.39	7.10	-74.00
CN(C)C(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N1	REAL300012021375	0	48	0.0	-83.42	378.11	3.75	-79.67
NC(=O)C1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021376	0	41	0.0	-74.66	346.82	1.45	-73.21
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=N1	REAL300012021377	0	54	0.0	-76.69	428.85	8.01	-68.68
CCC1=NN(C)C(CC)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021378	0	52	0.0	-69.07	397.41	5.89	-63.18
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CCC4)S3)(C1)OC21COC1	REAL300012021379	0	46	0.0	-70.22	375.81	5.67	-64.55
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CCCO4)S3)(C1)OC21COC1	REAL300012021380	0	47	0.0	-73.89	385.31	3.78	-70.11
CC1=CC=CC=C1N1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N=N1	REAL300012021381	0	49	0.0	-72.97	394.54	6.32	-66.65
CN1N=C(Br)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021382	0	40	0.0	-79.15	343.68	3.65	-75.50
CN1C=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)S2)C=N1	REAL300012021383	0	47	0.0	-73.21	395.21	6.24	-66.97
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OCCCCOC4=C3)(C1)OC21COC1	REAL300012021384	0	52	0.0	-74.98	400.34	6.44	-68.54
CCOC1=C(Cl)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021385	0	47	0.0	-69.26	387.89	6.47	-62.79
CCC1=CC=CC(F)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021386	0	46	0.0	-63.48	361.07	6.83	-56.65
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(Cl)=C3Cl)(C1)OC21COC1	REAL300012021387	0	40	0.0	-72.83	353.39	6.57	-66.26
O=C([O-])C12CC(C[NH2+]CC3=NN(C(F)F)C=C3)(C1)OC21COC1	REAL300012021388	0	40	0.0	-70.96	336.71	3.49	-67.47
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021389	0	51	0.0	-72.07	406.07	5.97	-66.10
O=C([O-])C12CC(C[NH2+]CC3=C(F)C=CC=C3OC(F)(F)F)(C1)OC21COC1	REAL300012021390	0	44	0.0	-62.84	370.44	5.46	-57.38
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3C3=CC=C(F)C=C3)(C1)OC21COC1	REAL300012021391	0	47	0.0	-74.58	383.10	6.56	-68.02
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2=CN(C)N=C2)=C1	REAL300012021392	0	53	0.0	-65.32	419.37	7.37	-57.95
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2=CC=NN2C)=C1	REAL300012021393	0	53	0.0	-67.55	414.26	7.07	-60.48
CC(C)C1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021394	0	45	0.0	-67.17	369.39	4.85	-62.32
CC(C)(C)C1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021395	0	48	0.0	-67.00	387.60	5.35	-61.65
O=C([O-])C12CC(C[NH2+]CC3=C(C4CC4)N=CS3)(C1)OC21COC1	REAL300012021396	0	43	0.0	-70.61	356.29	5.02	-65.59
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C=C3N3C=NC=N3)(C1)OC21COC1	REAL300012021397	0	46	0.0	-65.41	381.52	9.18	-56.23
COC(=O)C1=C(C)N(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021398	0	50	0.0	-78.51	398.53	6.09	-72.42
COCCCN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021399	0	50	0.0	-76.12	394.15	3.90	-72.22
CC1=CC(F)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(Cl)=C1	REAL300012021400	0	43	0.0	-60.56	361.25	6.68	-53.88
COCCOCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021401	0	54	0.0	-72.48	431.80	5.50	-66.98
CSCC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021402	0	43	0.0	-69.38	372.68	4.72	-64.66
O=C([O-])C12CC(C[NH2+]CC3=CSC=C3C(F)(F)F)(C1)OC21COC1	REAL300012021403	0	40	0.0	-64.37	340.36	5.55	-58.82
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)SC2=C(Cl)C=CC=C12	REAL300012021404	0	46	0.0	-71.48	391.89	8.07	-63.41
CCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021405	0	45	0.0	-70.84	359.63	3.17	-67.67
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4CC4)=C3)(C1)OC21COC1	REAL300012021406	0	47	0.0	-68.16	369.69	7.68	-60.48
CC1=NN(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021407	0	43	0.0	-75.87	343.82	3.69	-72.18
N#CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1F	REAL300012021408	0	41	0.0	-84.75	347.24	6.02	-78.73
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)(C1)OC21COC1	REAL300012021409	0	43	0.0	-80.47	360.08	4.68	-75.79
CC1=CC(F)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(F)=C1	REAL300012021410	0	43	0.0	-61.96	352.51	6.30	-55.66
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)O1	REAL300012021411	0	50	0.0	-68.21	405.29	5.98	-62.23
CC(C)CN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021412	0	49	0.0	-74.90	384.35	5.58	-69.32
COC(=O)C1=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CN1	REAL300012021413	0	47	0.0	-75.55	378.05	4.60	-70.95
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021414	0	50	0.0	-78.75	403.29	7.54	-71.21
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021415	0	53	0.0	-74.57	420.36	8.05	-66.52
CC(C)(C#N)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021416	0	50	0.0	-74.55	397.88	7.51	-67.04
CC(C)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021417	0	49	0.0	-66.99	375.08	7.34	-59.65
O=C([O-])C12CC(C[NH2+]CC3=NN4CCCCC4=C3)(C1)OC21COC1	REAL300012021418	0	47	0.0	-67.10	365.85	4.89	-62.21
O=C([O-])C12CC(C[NH2+]CC3=CN=NN3C3=CC=CC=C3)(C1)OC21COC1	REAL300012021419	0	46	0.0	-77.22	370.81	5.22	-72.00
O=C([O-])C12CC(C[NH2+]CC3=CC4=CN=CC=C4O3)(C1)OC21COC1	REAL300012021420	0	42	0.0	-75.48	343.09	4.38	-71.10
COC1=CC(OC)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1F	REAL300012021421	0	48	0.0	-70.55	385.08	4.28	-66.27
COC1=CC(F)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OC	REAL300012021422	0	48	0.0	-72.03	384.47	4.80	-67.23
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(Cl)=C1	REAL300012021423	0	43	0.0	-64.63	355.37	6.66	-57.97
CCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021424	0	46	0.0	-67.63	363.37	7.01	-60.62
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021425	0	53	0.0	-74.71	420.37	8.04	-66.67
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(F)=C1	REAL300012021426	0	44	0.0	-69.65	356.31	4.87	-64.78
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3CCC4)(C1)OC21COC1	REAL300012021427	0	47	0.0	-67.48	364.69	7.40	-60.08
COC1=CC=CC(F)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021428	0	44	0.0	-60.51	353.95	4.97	-55.54
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=C1	REAL300012021429	0	53	0.0	-69.48	408.11	7.22	-62.26
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=NC=C4S3)(C1)OC21COC1	REAL300012021430	0	42	0.0	-74.43	352.60	5.34	-69.09
O=C([O-])C12CC(C[NH2+]CC3=C4CCCN4N=C3)(C1)OC21COC1	REAL300012021431	0	44	0.0	-72.24	347.79	4.15	-68.09
CCC1=C2OC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CC2=CC=C1	REAL300012021432	0	49	0.0	-72.39	392.04	7.49	-64.90
C=CCCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N=N1	REAL300012021433	0	46	0.0	-73.46	373.34	4.25	-69.21
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3CC3CC3)(C1)OC21COC1	REAL300012021434	0	47	0.0	-71.80	368.69	5.58	-66.22
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC4CC4)=C3F)(C1)OC21COC1	REAL300012021435	0	48	0.0	-69.66	386.40	6.59	-63.07
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=C1	REAL300012021436	0	50	0.0	-70.43	387.44	6.39	-64.04
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(F)=C3OC(F)F)(C1)OC21COC1	REAL300012021437	0	44	0.0	-70.84	364.81	5.29	-65.55
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC=C3OC(F)F)(C1)OC21COC1	REAL300012021438	0	44	0.0	-71.61	364.78	5.29	-66.32
COC1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021439	0	43	0.0	-67.74	347.04	2.33	-65.41
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4CCCC4)=C3)(C1)OC21COC1	REAL300012021440	0	53	0.0	-68.25	405.50	8.75	-59.50
CN1C=C(C2=NN(C)C=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=N1	REAL300012021441	0	50	0.0	-72.21	404.51	4.55	-67.66
COCC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021442	0	44	0.0	-68.04	366.01	4.41	-63.63
O=C([O-])C12CC(C[NH2+]CC3=CN(C4CCC4)N=N3)(C1)OC21COC1	REAL300012021443	0	46	0.0	-72.46	362.66	4.06	-68.40
O=C([O-])C12CC(C[NH2+]CC3=CSC(C(F)(F)F)=C3)(C1)OC21COC1	REAL300012021444	0	40	0.0	-74.74	351.10	5.72	-69.02
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)F)O3)(C1)OC21COC1	REAL300012021445	0	40	0.0	-74.24	342.40	4.95	-69.29
O=C([O-])C12CC(C[NH2+]CC3=C(C(F)(F)F)SC=C3)(C1)OC21COC1	REAL300012021446	0	40	0.0	-65.99	342.86	5.73	-60.26
CN(C)C1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=CC(F)=C1F	REAL300012021447	0	48	0.0	-73.61	380.14	5.65	-67.96
O=C([O-])C12CC(C[NH2+]CC3=C(F)C=CC(F)=C3Cl)(C1)OC21COC1	REAL300012021448	0	40	0.0	-64.17	345.69	6.06	-58.11
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4CCOC4)C=C3)(C1)OC21COC1	REAL300012021449	0	52	0.0	-72.74	405.84	5.23	-67.51
CN(C)C1=CC(F)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1F	REAL300012021450	0	48	0.0	-71.50	386.63	5.12	-66.38
COC(=O)C1=C2CCCCN2C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021451	0	54	0.0	-79.46	423.02	7.29	-72.17
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(F)=C3F)(C1)OC21COC1	REAL300012021452	0	40	0.0	-76.99	337.62	5.75	-71.24
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC(C(F)(F)F)=C1	REAL300012021453	0	47	0.0	-74.24	389.04	5.89	-68.35
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OC1CC1	REAL300012021454	0	52	0.0	-76.07	410.27	6.45	-69.62
CCCN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021455	0	46	0.0	-73.82	360.47	4.83	-68.99
CN1N=C(C(F)(F)F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021456	0	43	0.0	-82.16	363.05	4.08	-78.08
COCC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021457	0	54	0.0	-72.59	422.07	5.79	-66.80
CCCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021458	0	46	0.0	-67.01	376.35	7.02	-59.99
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)(C1)OC21COC1	REAL300012021459	0	47	0.0	-72.35	388.63	8.17	-64.18
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3CCC3=CC=CC=C3)(C1)OC21COC1	REAL300012021460	0	53	0.0	-76.53	420.38	7.85	-68.68
CC(C)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021461	0	49	0.0	-67.55	380.70	7.50	-60.05
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(Cl)=N1	REAL300012021462	0	40	0.0	-70.60	339.97	3.81	-66.79
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1C(C)(C)C	REAL300012021463	0	56	0.0	-69.79	421.15	7.56	-62.23
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(CC4CCC4)=C3)(C1)OC21COC1	REAL300012021464	0	53	0.0	-67.51	411.53	9.09	-58.42
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=NC=C1Br	REAL300012021465	0	42	0.0	-69.74	355.30	4.94	-64.80
O=C([O-])C12CC(C[NH2+]CC3=C(O)C=CC=C3Br)(C1)OC21COC1	REAL300012021466	0	41	0.0	-61.94	348.24	3.28	-58.66
CN1C=C(C2=NC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CS2)C=N1	REAL300012021467	0	46	0.0	-72.02	390.77	4.14	-67.88
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1Cl	REAL300012021468	0	44	0.0	-75.67	366.01	5.43	-70.24
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3CC3CCC3)(C1)OC21COC1	REAL300012021469	0	50	0.0	-74.48	391.07	6.12	-68.36
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)(C1)OC21COC1	REAL300012021470	0	46	0.0	-77.22	380.13	5.49	-71.73
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3CC(F)(F)F)(C1)OC21COC1	REAL300012021471	0	46	0.0	-67.22	369.67	7.14	-60.08
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(Br)=N1	REAL300012021472	0	40	0.0	-69.93	344.01	3.87	-66.06
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(F)=C1	REAL300012021473	0	43	0.0	-66.38	348.23	6.26	-60.12
CC(=O)NC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021474	0	47	0.0	-77.92	376.30	4.49	-73.43
CN1N=CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CN=C21	REAL300012021475	0	45	0.0	-80.77	364.79	4.71	-76.06
O=C([O-])C12CC(C[NH2+]CC3=NC=C(Br)C=C3F)(C1)OC21COC1	REAL300012021476	0	39	0.0	-65.87	342.13	4.38	-61.49
COC1=CC(Cl)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OC	REAL300012021477	0	48	0.0	-70.29	391.80	5.22	-65.07
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CC(F)(F)F)C=C3)(C1)OC21COC1	REAL300012021478	0	46	0.0	-70.73	381.46	7.37	-63.36
CN1N=C2CCCCC2=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021479	0	50	0.0	-75.65	385.47	5.55	-70.10
CCOC(=O)C1=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C(C)N1	REAL300012021480	0	53	0.0	-73.63	420.55	5.96	-67.67
CC1=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CS1	REAL300012021481	0	43	0.0	-67.92	346.45	5.82	-62.10
O=C([O-])C12CC(C[NH2+]CC3=CN=C(Cl)C(F)=C3)(C1)OC21COC1	REAL300012021482	0	39	0.0	-81.63	338.07	4.27	-77.36
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4)C(Cl)=C3)(C1)OC21COC1	REAL300012021483	0	50	0.0	-73.83	413.52	9.55	-64.28
O=C([O-])C12CC(C[NH2+]CC3=C(Br)SC=C3)(C1)OC21COC1	REAL300012021484	0	37	0.0	-65.51	329.27	5.20	-60.31
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C(F)C=C1OC	REAL300012021485	0	51	0.0	-72.02	406.32	5.72	-66.30
COC1=NC=C(Br)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021486	0	43	0.0	-68.84	368.37	2.92	-65.92
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)(C1)OC21COC1	REAL300012021487	0	46	0.0	-75.59	367.00	7.75	-67.84
O=C([O-])C12CC(C[NH2+]CC3=CC=CN=C3Br)(C1)OC21COC1	REAL300012021488	0	39	0.0	-70.01	331.79	4.25	-65.76
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(F)=C3OC(F)(F)F)(C1)OC21COC1	REAL300012021489	0	44	0.0	-70.82	371.56	5.51	-65.31
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021490	0	50	0.0	-65.79	394.81	6.55	-59.24
CCOC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021491	0	47	0.0	-72.68	378.25	5.88	-66.80
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(=O)N4CCCC4)C=C3)(C1)OC21COC1	REAL300012021492	0	54	0.0	-81.38	416.49	6.59	-74.79
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)F)C=C3F)(C1)OC21COC1	REAL300012021493	0	44	0.0	-70.58	366.07	5.16	-65.42
CC(C)(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021494	0	53	0.0	-68.45	400.88	6.72	-61.73
CC1=C(Cl)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021495	0	43	0.0	-70.94	350.14	6.60	-64.34
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C(F)C=C1C	REAL300012021496	0	47	0.0	-68.63	375.32	5.63	-63.00
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=C1Br	REAL300012021497	0	46	0.0	-70.03	371.57	7.28	-62.75
CC1=CC=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1Br	REAL300012021498	0	42	0.0	-61.16	352.12	4.83	-56.33
CC(C)(C)C1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021499	0	48	0.0	-67.58	386.84	5.28	-62.30
COCCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021500	0	46	0.0	-73.00	383.12	3.33	-69.67
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(F)=C3O)(C1)OC21COC1	REAL300012021501	1	41	0.0	-74.43	342.69	2.93	-71.50
CN1N=C2CCSCC2=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021502	0	48	0.0	-78.76	385.67	5.22	-73.54
CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2=CC=CC=C2)=N1	REAL300012021503	0	53	0.0	-72.27	421.98	7.58	-64.69
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3CCOC4)(C1)OC21COC1	REAL300012021504	0	48	0.0	-71.09	368.11	5.52	-65.57
COCC1=C(C)C=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1C	REAL300012021505	0	56	0.0	-67.94	421.33	6.77	-61.17
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OC(=O)OC4=C3)(C1)OC21COC1	REAL300012021506	0	42	0.0	-85.72	348.24	6.13	-79.59
CC1=C(Br)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021507	0	40	0.0	-69.75	352.81	6.01	-63.74
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=C(Cl)C=C4)=C3)(C1)OC21COC1	REAL300012021508	0	50	0.0	-73.50	412.20	9.48	-64.02
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=NC=CC=C34)(C1)OC21COC1	REAL300012021509	0	45	0.0	-77.18	357.36	5.81	-71.37
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1C	REAL300012021510	0	53	0.0	-71.06	414.19	7.32	-63.74
O=C([O-])C12CC(C[NH2+]CC3=CC4=NC=CN=C4C=C3)(C1)OC21COC1	REAL300012021511	0	44	0.0	-78.34	357.31	3.97	-74.37
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1CN1C=CC=N1	REAL300012021512	0	54	0.0	-75.99	432.58	6.57	-69.42
CCOC1=CC=CC(F)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021513	0	47	0.0	-60.68	376.60	5.86	-54.82
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=CC=C1[N+](=O)[O-]	REAL300012021514	0	45	0.0	-81.79	358.11	6.70	-75.09
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021515	0	48	0.0	-80.94	380.51	7.20	-73.74
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(F)=C1OC	REAL300012021516	0	48	0.0	-73.36	389.31	4.89	-68.47
COC(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(F)=C1	REAL300012021517	0	46	0.0	-76.95	381.59	6.24	-70.71
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC4=CC=CC=N4)=C3)(C1)OC21COC1	REAL300012021518	0	50	0.0	-72.58	407.91	5.93	-66.65
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(COC4=CC=CC=C4)=C3)(C1)OC21COC1	REAL300012021519	0	54	0.0	-71.12	431.75	8.85	-62.27
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3OCC(F)F)(C1)OC21COC1	REAL300012021520	0	47	0.0	-65.00	384.23	6.17	-58.83
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C=N3)(C1)OC21COC1	REAL300012021521	0	39	0.0	-69.96	332.20	4.25	-65.71
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021522	0	56	0.0	-72.29	435.80	8.58	-63.71
CC1=CC(C#N)=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021523	0	47	0.0	-77.55	375.18	7.00	-70.55
O=C([O-])C12CC(C[NH2+]CC3=CN(CCF)N=C3)(C1)OC21COC1	REAL300012021524	0	43	0.0	-73.05	351.41	4.39	-68.66
CC(C)(C)C1=COC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021525	1	48	0.0	-69.59	378.03	2.95	-66.64
CCCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021526	0	49	0.0	-67.45	384.87	7.80	-59.65
CC1=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)C=NC2=NN1	REAL300012021527	0	45	0.0	-84.32	363.55	4.10	-80.22
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021528	0	48	0.0	-85.06	398.52	2.18	-82.88
CN1N=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C2=CC=CC=C21	REAL300012021529	0	46	0.0	-71.28	371.21	5.47	-65.81
O=C([O-])C12CC(C[NH2+]CC3=C4C=CC=CC4=NN3)(C1)OC21COC1	REAL300012021530	0	43	0.0	-81.27	348.15	4.17	-77.10
O=C([O-])C12CC(C[NH2+]CC3=NNC4=CC=CC=C43)(C1)OC21COC1	REAL300012021530	1	43	0.0	-71.24	348.35	4.18	-67.06
CN1C(Cl)=NC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021531	0	40	0.0	-76.37	353.78	4.81	-71.56
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021532	0	43	0.0	-66.08	354.07	6.27	-59.81
O=C([O-])C12CC(C[NH2+]CC3=NC=CC4=CC=CC=C43)(C1)OC21COC1	REAL300012021533	0	45	0.0	-69.32	358.99	5.84	-63.48
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N2C=CC=CC2=N1	REAL300012021534	0	46	0.0	-77.15	367.75	6.52	-70.63
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021535	1	60	0.0	-66.48	441.29	7.82	-58.66
CCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021536	0	42	0.0	-69.78	348.67	4.30	-65.48
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)SC=C1	REAL300012021537	0	41	0.0	-62.35	341.38	3.96	-58.39
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=N4)=NN3)(C1)OC21COC1	REAL300012021538	0	46	0.0	-77.65	377.44	3.79	-73.86
O=C([O-])C12CC(C[NH2+]CC3=CSC=C3Cl)(C1)OC21COC1	REAL300012021539	0	37	0.0	-65.12	325.13	4.98	-60.14
CC1=NN2C(=NC(C)=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021540	0	45	0.0	-71.80	374.83	4.76	-67.04
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021541	0	51	0.0	-71.77	417.59	6.02	-65.75
CCCC(C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2)C1=CC=CC=C1	REAL300012021542	0	52	0.0	-67.13	397.70	8.21	-58.92
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=CC4=CC=CN=C43)(C1)OC21COC1	REAL300012021543	0	45	0.0	-58.55	374.23	6.51	-52.04
O=C([O-])C12CC(C[NH2+]CC3CC4CCC3C4)(C1)OC21COC1	REAL300012021544	0	47	0.0	-67.14	344.01	6.05	-61.09
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)N=C3)(C1)OC21COC1	REAL300012021545	0	39	0.0	-78.95	321.74	3.74	-75.21
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)F)S3)(C1)OC21COC1	REAL300012021546	0	40	0.0	-74.89	352.13	5.86	-69.03
O=C([O-])C12CC(C[NH2+]CC3(C(F)F)CC3)(C1)OC21COC1	REAL300012021547	0	40	0.0	-63.00	322.42	5.01	-57.99
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021548	0	50	0.0	-70.57	402.99	8.17	-62.40
CC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N1C	REAL300012021549	0	43	0.0	-70.27	340.80	4.43	-65.84
CC(C)C1CCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)CC1	REAL300012021550	0	55	0.0	-66.63	391.14	7.34	-59.29
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)N=C4C=C(Cl)C=CN43)(C1)OC21COC1	REAL300012021551	0	43	0.0	-78.10	381.18	6.89	-71.21
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021552	0	51	0.0	-73.13	407.40	6.93	-66.20
COCC1=CC=CC=C1C=C(C)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021553	0	54	0.0	-72.78	419.77	7.14	-65.64
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021554	0	50	0.0	-67.89	395.69	6.45	-61.44
O=C([O-])C12CC(C[NH2+]CC3=CON=C3CC3=CC=CC=C3)(C1)OC21COC1	REAL300012021555	0	49	0.0	-80.14	395.34	7.23	-72.91
CCC1=NOC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021556	0	42	0.0	-76.04	338.62	4.32	-71.72
CN1N=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1Cl	REAL300012021557	0	40	0.0	-68.19	339.10	3.72	-64.47
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CN=C4O3)(C1)OC21COC1	REAL300012021558	0	42	0.0	-77.26	343.91	3.02	-74.24
COC1=CC=C(N2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)C=N2)C=C1	REAL300012021559	0	51	0.0	-76.45	408.80	6.09	-70.36
CC1=CN=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021560	0	42	0.0	-73.16	331.42	4.39	-68.77
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)(C1)OC21COC1	REAL300012021561	0	42	0.0	-76.93	359.89	3.56	-73.37
O=C([O-])C12CC(C[NH2+]C[C@@H]3C[C@H]3C3=CC=CC=C3)(C1)OC21COC1	REAL300012021562	0	47	0.0	-68.71	369.13	7.58	-61.13
O=C([O-])C12CC(C[NH2+]CC3=CC=NC=C3Br)(C1)OC21COC1	REAL300012021563	0	39	0.0	-69.37	332.95	4.32	-65.05
CS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021564	0	43	0.0	-80.88	374.36	2.23	-78.65
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3C3=CC=CC=N3)(C1)OC21COC1	REAL300012021565	0	46	0.0	-66.25	372.64	6.27	-59.98
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(F)=C1	REAL300012021566	0	45	0.0	-80.35	381.01	0.55	-79.80
CC(C)N1C=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021568	0	46	0.0	-69.95	362.12	5.36	-64.59
CC1=C(Br)C=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021569	0	42	0.0	-73.61	348.96	4.94	-68.67
CN1N=CC(C(F)(F)F)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021570	0	43	0.0	-74.28	358.95	4.13	-70.15
CN1N=CC(C2CC2)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021571	0	47	0.0	-74.65	371.52	5.23	-69.42
CN1N=CC(C2CCC2)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021572	0	50	0.0	-75.68	388.76	5.70	-69.98
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N1C	REAL300012021573	0	43	0.0	-73.38	341.02	4.54	-68.84
CC1=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)NC2=CC=C1	REAL300012021574	0	47	0.0	-73.47	373.32	6.17	-67.30
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3C3=CC=NC=C3)(C1)OC21COC1	REAL300012021575	0	46	0.0	-76.01	372.49	4.69	-71.32
CC1=CC=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)NC2=C1	REAL300012021576	0	47	0.0	-73.94	374.51	6.15	-67.79
CC1=NC=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021577	0	41	0.0	-70.62	328.23	2.36	-68.26
CCOC1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021578	0	46	0.0	-73.17	366.77	3.99	-69.18
O=C([O-])C12CC(C[NH2+]CC3=CC=NC=C3Cl)(C1)OC21COC1	REAL300012021579	0	39	0.0	-70.08	329.34	4.23	-65.85
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3C3CCOCC3)(C1)OC21COC1	REAL300012021580	0	51	0.0	-78.59	396.93	4.18	-74.41
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=NNC=C43)(C1)OC21COC1	REAL300012021581	0	43	0.0	-78.79	346.60	4.28	-74.51
CCC(F)(F)C(C)(C)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021582	0	48	0.0	-65.19	360.77	5.92	-59.27
O=C([O-])C12CC(C[NH2+]CC3=CC=NC(F)=C3)(C1)OC21COC1	REAL300012021583	0	39	0.0	-80.12	322.57	3.72	-76.40
O=C([O-])C12CC(C[NH2+]CC3=CC=C4C=CNC4=C3)(C1)OC21COC1	REAL300012021584	0	44	0.0	-71.01	351.84	5.61	-65.40
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(C=CNC4=O)O3)(C1)OC21COC1	REAL300012021585	0	43	0.0	-79.23	353.09	3.06	-76.17
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)F)N=C3)(C1)OC21COC1	REAL300012021586	0	42	0.0	-77.71	348.49	4.70	-73.01
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021587	0	49	0.0	-71.50	394.39	5.96	-65.54
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4CCOC4)N=N3)(C1)OC21COC1	REAL300012021588	0	50	0.0	-76.74	394.94	2.99	-73.75
COC1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1C	REAL300012021589	0	46	0.0	-73.13	359.80	3.71	-69.42
CC1=CC(C)=C(C=CC[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=C1	REAL300012021590	0	53	0.0	-70.46	410.50	8.71	-61.75
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4CCCO4)N=N3)(C1)OC21COC1	REAL300012021591	0	50	0.0	-73.39	395.48	3.17	-70.22
CCCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N=N1	REAL300012021592	0	45	0.0	-73.66	360.53	3.70	-69.96
CN(C)C1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021593	0	48	0.0	-66.04	380.14	5.63	-60.41
O=C([O-])C12CC(C[NH2+]CC3=CN(C4CC4)C=N3)(C1)OC21COC1	REAL300012021594	0	44	0.0	-65.43	351.85	6.24	-59.19
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)(C1)OC21COC1	REAL300012021595	0	45	0.0	-81.88	367.89	6.02	-75.86
CC1=CC(C)=C(C=CC[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1C	REAL300012021596	0	53	0.0	-70.47	408.19	8.57	-61.90
CC1=NSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021597	0	39	0.0	-73.15	327.04	4.00	-69.15
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021598	0	45	0.0	-83.11	375.44	0.50	-82.61
CCN1N=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021599	0	42	0.0	-75.68	334.65	4.71	-70.97
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CC4)O3)(C1)OC21COC1	REAL300012021600	0	43	0.0	-72.76	349.98	2.86	-69.90
CCC1=CNC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021601	0	43	0.0	-71.83	344.04	3.62	-68.21
O=C([O-])C12CC(C[NH2+]CC3=NC=CC4=C3CCCC4)(C1)OC21COC1	REAL300012021602	0	49	0.0	-65.86	372.68	6.13	-59.73
CC1=NN(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1Cl	REAL300012021603	0	43	0.0	-73.57	360.34	4.20	-69.37
CN1C=CC(C2=NC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CS2)=N1	REAL300012021604	0	46	0.0	-73.34	390.88	4.02	-69.32
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2CCCC2)=N1	REAL300012021605	0	53	0.0	-72.14	408.79	6.49	-65.65
CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1Br	REAL300012021606	0	43	0.0	-63.90	355.74	6.68	-57.22
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC4=CC=C(F)C=C4)=C3)(C1)OC21COC1	REAL300012021607	0	51	0.0	-74.87	416.39	8.46	-66.41
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OCCCC4=C3)(C1)OC21COC1	REAL300012021608	0	48	0.0	-70.93	374.18	6.21	-64.72
CN(C)C(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021609	0	50	0.0	-75.31	392.65	5.43	-69.88
CCC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(Cl)=NN1	REAL300012021610	0	43	0.0	-68.64	354.53	3.75	-64.89
O=C([O-])C12CC(C[NH2+]CC3=C(C4CC4)NN=C3Cl)(C1)OC21COC1	REAL300012021611	0	44	0.0	-68.56	366.84	4.53	-64.03
CCC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=NO1	REAL300012021612	0	45	0.0	-75.28	361.00	5.15	-70.13
CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N=N1	REAL300012021613	0	42	0.0	-73.95	339.03	2.93	-71.02
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C2CCCCC2=N1	REAL300012021614	0	52	0.0	-74.38	393.39	6.77	-67.61
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3N3CCCCC3)(C1)OC21COC1	REAL300012021615	0	55	0.0	-63.53	414.62	7.65	-55.88
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)O1	REAL300012021616	0	44	0.0	-71.69	356.87	5.06	-66.63
O=C([O-])C12CC(C[NH2+]CC3=CSC(C(F)(F)F)=N3)(C1)OC21COC1	REAL300012021617	1	39	0.0	-73.85	346.91	3.67	-70.18
CCN1C=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021618	0	43	0.0	-65.30	344.36	5.76	-59.54
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CN=C1F	REAL300012021619	0	42	0.0	-79.21	342.12	4.36	-74.85
CC1=CC(F)=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021620	0	42	0.0	-77.84	337.81	4.33	-73.51
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)F)C(F)=C3)(C1)OC21COC1	REAL300012021621	0	43	0.0	-80.38	360.69	6.52	-73.86
COC(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1C	REAL300012021622	0	49	0.0	-77.62	391.32	6.78	-70.84
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=C1	REAL300012021623	0	47	0.0	-69.71	364.75	5.49	-64.22
CC1=C(Cl)C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1Cl	REAL300012021624	0	43	0.0	-68.46	366.76	7.01	-61.45
N#CC1=CC=C(Br)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021625	0	41	0.0	-70.94	356.70	6.56	-64.38
CC1CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CC=C2O1	REAL300012021626	0	48	0.0	-73.14	378.15	6.12	-67.02
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OC(=O)N4)(C1)OC21COC1	REAL300012021627	0	43	0.0	-75.98	353.02	3.05	-72.93
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCC4)(C1)OC21COC1	REAL300012021628	0	45	0.0	-64.90	357.01	5.39	-59.51
CSCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021629	0	47	0.0	-70.56	387.38	7.42	-63.14
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4CCC4)N=C3)(C1)OC21COC1	REAL300012021630	0	50	0.0	-71.27	392.72	6.33	-64.94
CN1N=C2CCOCC2=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021631	0	48	0.0	-78.28	376.55	3.15	-75.13
CN1N=C2CCCC2=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021632	0	47	0.0	-75.74	367.98	5.03	-70.71
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3C3CCC3)(C1)OC21COC1	REAL300012021633	0	47	0.0	-74.71	369.26	5.37	-69.34
O=C([O-])C12CC(C[NH2+]CC3=CN(C4CCC4)N=C3)(C1)OC21COC1	REAL300012021634	0	47	0.0	-71.02	368.64	5.37	-65.65
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021635	0	53	0.0	-64.19	423.63	7.10	-57.09
COC(=O)COC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021636	0	50	0.0	-65.61	405.72	6.51	-59.10
COC1=CC=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021637	0	47	0.0	-68.65	365.53	5.47	-63.18
CN1C=NC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=C21	REAL300012021638	0	46	0.0	-76.33	359.66	6.81	-69.52
CCC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021639	0	46	0.0	-66.81	354.75	6.83	-59.98
CN(C)C(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021640	0	50	0.0	-81.56	391.43	5.40	-76.16
CC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021641	0	43	0.0	-72.15	348.30	6.32	-65.83
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=C1C	REAL300012021642	0	49	0.0	-67.05	370.81	7.27	-59.78
CCNC(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021643	0	50	0.0	-79.75	398.44	4.71	-75.04
CC(C)(C)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021644	0	52	0.0	-61.70	375.31	8.03	-53.67
O=C([O-])C12CC(C[NH2+]CC3=CN=C4CCCCCN34)(C1)OC21COC1	REAL300012021645	0	50	0.0	-73.67	377.28	5.94	-67.73
COC1=CC=C2SC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CC2=C1	REAL300012021646	0	47	0.0	-71.35	387.42	6.41	-64.94
O=C([O-])C12CC(C[NH2+]CC3=CON=C3C3CC3)(C1)OC21COC1	REAL300012021647	0	43	0.0	-75.85	348.88	5.19	-70.66
CCN(CC)C(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021648	0	56	0.0	-80.87	433.52	7.32	-73.55
CCN1CCC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CC=C21	REAL300012021649	0	52	0.0	-69.59	392.93	5.72	-63.87
CCN(C)C(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021650	0	53	0.0	-80.83	413.35	6.44	-74.39
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=NN1C(C)C	REAL300012021651	0	49	0.0	-70.85	384.20	5.32	-65.53
CSC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1Cl	REAL300012021652	0	44	0.0	-74.41	375.71	7.05	-67.36
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1C1CC1	REAL300012021653	0	50	0.0	-67.94	386.90	8.21	-59.73
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=N1	REAL300012021654	0	46	0.0	-74.46	369.43	3.22	-71.24
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1C1CC1	REAL300012021655	0	50	0.0	-68.79	387.69	8.18	-60.61
CC1=NN(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)C(C)=C2)C=C1	REAL300012021656	0	53	0.0	-76.65	415.58	7.98	-68.67
COC(=O)C1=CC2=C(C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)O2)N1	REAL300012021657	0	47	0.0	-79.76	389.85	4.33	-75.43
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)O1	REAL300012021658	0	41	0.0	-70.93	334.24	4.15	-66.78
COCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)O1	REAL300012021659	0	48	0.0	-73.60	390.50	4.30	-69.30
CC1=NN(C(C)C)C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021660	0	52	0.0	-70.34	403.77	5.89	-64.45
O=C([O-])C12CC(C[NH2+]CC3=NN(CCF)C=C3)(C1)OC21COC1	REAL300012021661	0	43	0.0	-69.35	352.25	4.27	-65.08
CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=N1	REAL300012021662	0	46	0.0	-71.55	364.48	4.83	-66.72
CC1=CC=C(C2=CC=CC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=C1	REAL300012021663	0	56	0.0	-62.40	431.93	10.05	-52.35
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2CC2)=N1	REAL300012021664	0	47	0.0	-72.88	376.16	5.53	-67.35
COC(=O)C1=C2COCCN2C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021665	0	52	0.0	-81.28	414.66	4.92	-76.36
CN1N=C(C2CC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021666	0	47	0.0	-75.73	372.81	5.24	-70.49
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021667	0	50	0.0	-77.84	392.58	8.47	-69.37
CC(C)C1=NOC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021668	0	45	0.0	-75.23	358.70	4.87	-70.36
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=C(Cl)O3)(C1)OC21COC1	REAL300012021669	0	44	0.0	-68.51	377.48	4.47	-64.04
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CCOCC4)O3)(C1)OC21COC1	REAL300012021670	0	50	0.0	-74.61	393.54	2.02	-72.59
COC1=NC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1F	REAL300012021671	0	43	0.0	-74.15	353.15	2.34	-71.81
O=C([O-])C12CC(C[NH2+]CC3=CN4C=CN=C4S3)(C1)OC21COC1	REAL300012021672	0	40	0.0	-81.50	337.86	5.54	-75.96
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C(C(C)(C)C)O1	REAL300012021673	0	52	0.0	-68.38	405.21	7.11	-61.27
CC1=C(C)SC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021674	0	42	0.0	-67.22	346.28	4.03	-63.19
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4=CC=CC=C4)N=N3)(C1)OC21COC1	REAL300012021675	0	49	0.0	-75.60	398.96	5.93	-69.67
CC(C)(C)OC(=O)N1CCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)CC1	REAL300012021676	0	60	0.0	-76.29	445.03	6.56	-69.73
CC1=CC(Br)=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021677	0	42	0.0	-69.89	354.64	4.86	-65.03
CC1OC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)C=C2C1C	REAL300012021678	0	51	0.0	-72.32	393.87	6.69	-65.63
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OC(F)F	REAL300012021679	0	47	0.0	-69.07	379.81	5.91	-63.16
CC(C)CC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021680	0	52	0.0	-66.65	390.89	7.94	-58.71
CN1N=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1S(C)(=O)=O	REAL300012021681	1	46	0.0	-73.74	373.71	0.90	-72.84
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)NN=C1C(F)(F)F	REAL300012021682	0	43	0.0	-80.52	358.20	3.53	-76.99
CC(C)CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N=N1	REAL300012021683	0	48	0.0	-73.32	376.22	4.34	-68.98
O=C([O-])C12CC(C[NH2+]CC3=NC(C4CC4)=CS3)(C1)OC21COC1	REAL300012021684	0	43	0.0	-68.28	356.90	4.77	-63.51
O=C([O-])C12CC(C[NH2+]CC3=CC(C(F)(F)F)=NN3)(C1)OC21COC1	REAL300012021685	0	40	0.0	-80.95	341.54	2.92	-78.03
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCOC4=C3)(C1)OC21COC1	REAL300012021686	0	45	0.0	-70.85	356.33	5.42	-65.43
CN1C=C(Cl)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021687	1	40	0.0	-65.16	340.70	3.76	-61.40
CS(=O)(=O)C1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=CS1	REAL300012021688	1	43	0.0	-68.88	360.10	2.48	-66.40
CSC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021689	0	44	0.0	-69.43	360.70	6.60	-62.83
CC(C)C1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)N(C)N=C1	REAL300012021690	0	49	0.0	-74.17	382.64	5.07	-69.10
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC(C)=N1	REAL300012021691	0	45	0.0	-73.84	358.58	5.03	-68.81
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2=CC=CC(F)=C2)=N1	REAL300012021692	0	50	0.0	-77.28	407.11	6.76	-70.52
CCCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=N1	REAL300012021693	0	49	0.0	-71.35	385.98	5.59	-65.76
CCN1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021694	0	43	0.0	-66.36	344.89	4.16	-62.20
O=C([O-])C12CC(C[NH2+]CC3=CC4=NC=CC=C4O3)(C1)OC21COC1	REAL300012021695	0	42	0.0	-76.52	343.89	4.28	-72.24
CC1=C(C)OC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021696	1	42	0.0	-70.18	338.39	1.65	-68.53
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CC4CC4)S3)(C1)OC21COC1	REAL300012021697	0	47	0.0	-67.22	386.46	7.79	-59.43
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4CC4)C=C3)(C1)OC21COC1	REAL300012021698	0	48	0.0	-71.45	381.02	6.55	-64.90
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)(F)F)C=C3F)(C1)OC21COC1	REAL300012021699	0	44	0.0	-71.35	372.81	5.37	-65.98
CC1=NC=CN1C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=C1	REAL300012021700	0	53	0.0	-78.54	415.83	8.64	-69.90
CC1=C(C)N(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)C=C2)C=N1	REAL300012021701	0	53	0.0	-80.28	419.00	9.15	-71.13
CNC(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021702	0	47	0.0	-74.64	376.96	3.85	-70.79
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4CC4)C(C4CC4)=C3)(C1)OC21COC1	REAL300012021703	0	54	0.0	-69.42	415.68	9.58	-59.84
CCNC(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021705	0	50	0.0	-74.21	398.45	4.70	-69.51
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)OC2=CC=C(F)C=C12	REAL300012021706	0	46	0.0	-74.47	375.97	6.78	-67.69
O=C([O-])C12CC(C[NH2+]CC3=CC(C4CCC4)=NN3)(C1)OC21COC1	REAL300012021707	0	47	0.0	-75.67	368.37	4.46	-71.21
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021708	0	50	0.0	-78.89	401.33	6.67	-72.22
CCCN1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021709	0	46	0.0	-67.21	367.16	4.89	-62.32
CC(C)N1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021710	0	46	0.0	-66.89	364.34	4.65	-62.24
CC(C)(C)C1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021711	0	51	0.0	-72.07	391.88	6.08	-65.99
O=C([O-])C12CC(C[NH2+]CC3=NN(CC(F)(F)F)C=C3)(C1)OC21COC1	REAL300012021712	0	43	0.0	-70.57	362.76	4.66	-65.91
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3C3=C(C=CC=C3)N4)(C1)OC21COC1	REAL300012021713	0	50	0.0	-69.07	393.18	7.62	-61.45
CN1C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=NC2=C1CCCC2	REAL300012021714	0	50	0.0	-70.87	384.39	6.27	-64.60
COC1=NC(Cl)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021715	0	43	0.0	-72.10	363.12	2.77	-69.33
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C(F)(F)F)=N1	REAL300012021716	0	43	0.0	-72.16	357.26	4.35	-67.81
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C(F)F)=C3F)(C1)OC21COC1	REAL300012021717	0	43	0.0	-70.91	356.32	6.45	-64.46
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3COCC4)(C1)OC21COC1	REAL300012021718	0	48	0.0	-69.70	367.19	5.57	-64.13
CCOC1=CC=C(Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021719	0	47	0.0	-65.15	387.21	6.37	-58.78
COC1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021720	0	44	0.0	-70.06	356.97	1.28	-68.78
O=C([O-])C12CC(C[NH2+]CC3=NC4=C(COCC4)S3)(C1)OC21COC1	REAL300012021721	0	44	0.0	-69.60	359.90	2.92	-66.68
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=CC(F)=C3)(C1)OC21COC1	REAL300012021722	0	47	0.0	-72.00	383.90	5.47	-66.53
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(CCCC4)O3)(C1)OC21COC1	REAL300012021723	0	47	0.0	-67.70	364.76	6.41	-61.29
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC([N+](=O)[O-])=C3)(C1)OC21COC1	REAL300012021724	0	42	0.0	-84.79	355.10	6.32	-78.47
O=C([O-])C12CC(C[NH2+]CC3=CN(C4CCCCC4)N=C3)(C1)OC21COC1	REAL300012021725	0	53	0.0	-70.53	405.13	6.63	-63.90
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)N(C4=CC=CC=C4)N=C3)(C1)OC21COC1	REAL300012021726	0	47	0.0	-71.09	395.13	7.02	-64.07
CN(CCO)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=N1	REAL300012021727	0	51	0.0	-72.03	400.06	3.15	-68.88
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=CC=C1C(C)(C)C	REAL300012021728	0	56	0.0	-65.85	414.35	7.27	-58.58
CN1C=C(Br)N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021729	0	40	0.0	-75.13	342.62	4.41	-70.72
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=N1	REAL300012021730	0	46	0.0	-73.43	362.76	2.90	-70.53
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1O	REAL300012021731	0	48	0.0	-73.71	376.86	3.22	-70.49
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=C(F)C=C4NC3=O)(C1)OC21COC1	REAL300012021732	0	46	0.0	-74.74	378.01	4.67	-70.07
CN1C(=O)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC2=CC=CC=C21	REAL300012021733	0	49	0.0	-70.79	387.75	6.32	-64.47
COC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1C	REAL300012021734	0	46	0.0	-70.35	368.56	2.95	-67.40
CCCN1C=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021735	0	46	0.0	-70.54	358.75	6.47	-64.07
O=C([O-])C12CC(C[NH2+]CC3=CC=CNC3=O)(C1)OC21COC1	REAL300012021736	0	40	0.0	-67.22	324.09	2.50	-64.72
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=C4OCOC4=C3)(C1)OC21COC1	REAL300012021737	0	47	0.0	-76.75	378.37	5.51	-71.24
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CC4CCC4)C=C3)(C1)OC21COC1	REAL300012021738	0	53	0.0	-68.19	412.33	9.06	-59.13
CCC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=NN1CC	REAL300012021739	0	49	0.0	-68.30	379.85	5.49	-62.81
O=C([O-])C12CC(C[NH2+]CC3=C(F)C=CC(Cl)=C3F)(C1)OC21COC1	REAL300012021740	0	40	0.0	-65.07	347.27	6.12	-58.95
O=C([O-])C12CC(C[NH2+]CC3=CC(C4CC4)=NN3)(C1)OC21COC1	REAL300012021741	0	44	0.0	-75.21	352.09	4.05	-71.16
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3C3CC3(F)F)(C1)OC21COC1	REAL300012021742	0	44	0.0	-82.15	365.82	5.11	-77.04
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=CS1	REAL300012021743	0	41	0.0	-64.01	342.80	3.96	-60.05
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C(F)(F)F)=CO1	REAL300012021744	0	43	0.0	-66.14	359.83	5.37	-60.77
CC(F)(F)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021745	0	46	0.0	-72.05	373.69	7.10	-64.95
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CSC=C4)N=C3)(C1)OC21COC1	REAL300012021746	0	46	0.0	-74.97	383.41	6.36	-68.61
CN1C=C(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=N1	REAL300012021747	0	47	0.0	-72.63	381.54	3.25	-69.38
CCCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1Cl	REAL300012021748	0	49	0.0	-68.10	403.84	5.85	-62.25
CC(C)(C#N)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)S1	REAL300012021749	0	46	0.0	-72.99	387.16	4.91	-68.08
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(F)=C3F)(C1)OC21COC1	REAL300012021750	0	40	0.0	-72.72	337.73	5.76	-66.96
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CSC=C4)C=C3)(C1)OC21COC1	REAL300012021751	0	47	0.0	-70.65	386.05	8.01	-62.64
CC(C)(C)C1=NNC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021752	0	49	0.0	-74.23	382.44	4.42	-69.81
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=CC(Cl)=CC=C43)(C1)OC21COC1	REAL300012021753	0	46	0.0	-73.13	378.15	8.22	-64.91
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3OC3CCCCC3)(C1)OC21COC1	REAL300012021754	0	57	0.0	-63.22	430.82	8.39	-54.83
C=CCC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021755	0	47	0.0	-67.70	368.34	7.42	-60.28
CCN1CCCC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=CC=C21	REAL300012021756	0	55	0.0	-69.39	410.14	6.66	-62.73
COCC1=CN=C(OC)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021757	0	50	0.0	-68.84	401.15	2.09	-66.75
CN1N=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1Br	REAL300012021758	0	40	0.0	-67.67	343.21	3.80	-63.87
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=CC=C3)(C1)OC21COC1	REAL300012021759	0	44	0.0	-69.31	351.34	6.90	-62.41
O=C([O-])C12CC(C[NH2+]CC3=CN=NN3C3CC3)(C1)OC21COC1	REAL300012021760	0	43	0.0	-81.35	347.29	3.60	-77.75
COCC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021761	0	47	0.0	-69.83	366.87	5.43	-64.40
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(SC(F)(F)F)=C3)(C1)OC21COC1	REAL300012021762	0	44	0.0	-73.98	376.88	7.04	-66.94
O=C([O-])C12CC(C[NH2+]CC3=CC=C4C(=C3)CCC43OCCO3)(C1)OC21COC1	REAL300012021763	0	53	0.0	-74.02	414.46	6.22	-67.80
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCOCC4=C3)(C1)OC21COC1	REAL300012021764	0	48	0.0	-70.72	374.19	5.67	-65.05
O=C([O-])C12CC(C[NH2+]CC3=CN(CCO)N=C3)(C1)OC21COC1	REAL300012021765	0	44	0.0	-73.29	356.24	0.90	-72.39
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)SC2=CC(F)=CC=C12	REAL300012021766	0	46	0.0	-71.37	381.03	7.71	-63.66
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=NC=C4)=NN3)(C1)OC21COC1	REAL300012021767	0	46	0.0	-81.68	375.88	3.73	-77.95
COC1=CC=C(F)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1OC	REAL300012021768	0	48	0.0	-63.58	384.83	4.87	-58.71
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=NC=C3)(C1)OC21COC1	REAL300012021769	0	43	0.0	-75.16	347.32	5.09	-70.07
CN1C=CC(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021770	0	47	0.0	-66.15	381.57	3.60	-62.55
C=CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021771	0	44	0.0	-68.74	351.60	6.67	-62.07
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC4CCC4)=C3)(C1)OC21COC1	REAL300012021772	0	54	0.0	-69.65	420.86	7.91	-61.74
CC(F)(F)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021773	0	46	0.0	-63.04	361.00	7.09	-55.95
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC=C1OCCO	REAL300012021774	0	52	0.0	-77.43	412.46	2.62	-74.81
CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2CC2)=N1	REAL300012021775	0	50	0.0	-71.90	396.89	6.43	-65.47
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1OCCO	REAL300012021776	0	52	0.0	-77.41	412.46	2.62	-74.79
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2=CC=NN2C)=N1	REAL300012021777	0	50	0.0	-74.41	406.79	4.44	-69.97
CC(C)(C)C1=NOC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021778	0	48	0.0	-77.39	369.24	5.31	-72.08
O=C([O-])C12CC(C[NH2+]CC3=CC4=CN=CC=C4C=C3)(C1)OC21COC1	REAL300012021779	0	45	0.0	-77.16	362.26	6.03	-71.13
CC1=CC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=C2O1	REAL300012021780	0	46	0.0	-67.60	370.49	6.69	-60.91
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(F)=C3C(F)(F)F)(C1)OC21COC1	REAL300012021781	0	43	0.0	-72.90	355.05	6.64	-66.26
COC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1OC	REAL300012021782	0	45	0.0	-68.38	374.08	3.60	-64.78
O=C([O-])C12CC(C[NH2+]CC3=CON=C3C3CCC3)(C1)OC21COC1	REAL300012021783	0	46	0.0	-75.64	365.18	5.66	-69.98
CS(=O)(=O)C1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)SC=C1	REAL300012021784	0	43	0.0	-75.04	362.14	2.22	-72.82
CS(=O)(=O)C1=COC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021785	0	43	0.0	-80.44	365.08	1.15	-79.29
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3F)(C1)OC21COC1	REAL300012021786	0	43	0.0	-73.62	365.55	6.59	-67.03
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1F	REAL300012021787	0	50	0.0	-75.91	395.99	6.51	-69.40
CCN1C=C(Cl)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021788	1	43	0.0	-64.71	362.25	4.61	-60.10
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(Cl)=C3F)(C1)OC21COC1	REAL300012021789	0	40	0.0	-75.17	347.07	6.18	-68.99
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C(F)F)=C3)(C1)OC21COC1	REAL300012021790	0	43	0.0	-71.57	352.66	6.44	-65.13
O=C([O-])C12CC(C[NH2+]CC3=C(F)C4=CC=CC=C4C=C3)(C1)OC21COC1	REAL300012021791	0	46	0.0	-68.71	371.79	7.81	-60.90
CS(=O)(=O)C1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021792	0	43	0.0	-77.21	372.71	2.18	-75.03
O=C([O-])C12CC(C[NH2+]CC3=CSC(Cl)=C3)(C1)OC21COC1	REAL300012021793	0	37	0.0	-72.23	328.28	5.11	-67.12
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=NN1C1CCC1	REAL300012021794	0	50	0.0	-69.80	388.19	6.06	-63.74
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=CC(Cl)=C4)N=C3)(C1)OC21COC1	REAL300012021795	0	47	0.0	-73.94	396.04	7.31	-66.63
CC1=NN(C2CCCC2)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021796	0	53	0.0	-75.62	409.52	6.59	-69.03
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3CC(F)F)(C1)OC21COC1	REAL300012021797	0	43	0.0	-80.78	352.17	4.34	-76.44
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021798	0	50	0.0	-73.23	401.95	6.22	-67.01
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Cl)=C3C(F)(F)F)(C1)OC21COC1	REAL300012021799	0	43	0.0	-71.95	362.77	7.02	-64.93
O=C([O-])C12CC(C[NH2+]CC3=C(F)C=CN=C3Cl)(C1)OC21COC1	REAL300012021800	0	39	0.0	-64.70	335.00	4.19	-60.51
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=CC(F)=C4)N=C3)(C1)OC21COC1	REAL300012021801	0	47	0.0	-74.45	385.72	6.86	-67.59
CN(C)C1=CN=CC(F)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021802	0	47	0.0	-64.00	374.31	3.67	-60.33
COC1=NC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=C1Cl	REAL300012021803	0	49	0.0	-76.27	394.75	3.81	-72.46
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021804	0	49	0.0	-74.36	397.36	5.92	-68.44
O=C([O-])C12CC(C[NH2+]CC3=NN(C4CCC4)C=C3)(C1)OC21COC1	REAL300012021805	0	47	0.0	-67.05	369.48	5.23	-61.82
O=C([O-])C12CC(C[NH2+]CC3=NN(CC(F)F)C=C3)(C1)OC21COC1	REAL300012021806	0	43	0.0	-70.62	358.65	4.41	-66.21
O=C([O-])C12CC(C[NH2+]CC3=NN(C4CC4(F)F)C=C3)(C1)OC21COC1	REAL300012021807	0	44	0.0	-71.26	366.39	5.03	-66.23
CC1=NN(C2CCCCC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021808	0	56	0.0	-70.64	424.80	7.21	-63.43
O=C([O-])C12CC(C[NH2+]CC3=CN(C4CCOCC4)N=C3)(C1)OC21COC1	REAL300012021809	0	51	0.0	-71.47	395.90	4.23	-67.24
CC1=NN(C2CCOCC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021810	0	54	0.0	-71.33	415.55	4.81	-66.52
CC1=CN(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021811	0	43	0.0	-71.38	343.69	4.54	-66.84
O=C([O-])C12CC(C[NH2+]CC3=NN(C4CCCC4)C=C3)(C1)OC21COC1	REAL300012021812	0	50	0.0	-66.66	387.05	5.91	-60.75
NS(=O)(=O)C1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021813	0	42	0.0	-77.61	366.29	-0.42	-78.03
O=C([O-])C12CC(C[NH2+]CC3=NC=C(Cl)C=C3Cl)(C1)OC21COC1	REAL300012021814	0	39	0.0	-64.20	346.33	4.66	-59.54
CC1=NSC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021815	0	39	0.0	-74.20	321.32	3.79	-70.41
CC1=NN(C2CCCC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021816	0	53	0.0	-70.65	405.82	6.61	-64.04
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3C(F)F)(C1)OC21COC1	REAL300012021817	0	43	0.0	-67.71	343.19	6.34	-61.37
COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1Br	REAL300012021818	0	44	0.0	-66.13	365.38	5.47	-60.66
O=C([O-])C12CC(C[NH2+]CC3=CC4=CNN=C4C=C3)(C1)OC21COC1	REAL300012021819	0	43	0.0	-78.34	347.52	4.27	-74.07
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C(F)=C3F)(C1)OC21COC1	REAL300012021820	0	40	0.0	-75.42	347.51	6.19	-69.23
CC1=C(F)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021821	0	43	0.0	-72.24	341.40	6.20	-66.04
CN1C=C(C2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)=C2)C=N1	REAL300012021822	0	50	0.0	-73.96	401.38	6.84	-67.12
O=C([O-])C12CC(C[NH2+]CC3=CC=C([N+](=O)[O-])C(OC4CC4)=C3)(C1)OC21COC1	REAL300012021823	0	50	0.0	-91.13	407.04	7.99	-83.14
CC1=CC=C(Br)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021824	0	43	0.0	-70.05	357.35	6.80	-63.25
COC1=C(C#N)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021825	0	45	0.0	-77.16	370.25	5.39	-71.77
COC1=NC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(COC3)O4)C=C2S1	REAL300012021826	0	46	0.0	-77.56	384.89	3.40	-74.16
O=C([O-])C12CC(C[NH2+]CC3=CC=NC(Br)=C3)(C1)OC21COC1	REAL300012021827	0	39	0.0	-78.41	337.61	4.27	-74.14
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(Cl)=C3Cl)(C1)OC21COC1	REAL300012021828	0	40	0.0	-69.51	353.94	6.59	-62.92
CC1=NC(Cl)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021829	0	42	0.0	-76.76	347.28	4.81	-71.95
CC(C)(C)COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021830	0	56	0.0	-68.55	432.27	7.92	-60.63
COC1=CC(Cl)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021831	0	44	0.0	-71.87	366.72	5.39	-66.48
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CC(F)=C1F	REAL300012021832	0	44	0.0	-82.79	362.50	5.01	-77.78
COC1=CC(C)=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021833	0	46	0.0	-66.87	365.68	3.78	-63.09
CC(C)N1C=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021834	0	46	0.0	-66.04	364.76	6.11	-59.93
CN1N=CC=C1C1=NNC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021835	0	47	0.0	-75.05	383.83	3.14	-71.91
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2CC2)=NO1	REAL300012021836	0	46	0.0	-74.39	369.74	5.98	-68.41
COC(=O)C1=C(C)NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1C	REAL300012021837	0	50	0.0	-79.46	404.94	5.24	-74.22
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)O1	REAL300012021838	0	47	0.0	-71.50	377.18	5.77	-65.73
CC1=CC(Br)=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021839	0	46	0.0	-71.47	375.72	7.23	-64.24
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=CC4=C3OCO4)(C1)OC21COC1	REAL300012021840	0	43	0.0	-63.53	361.34	4.62	-58.91
N#CC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021841	0	41	0.0	-81.65	347.75	6.03	-75.62
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4CCCCC4)C=C3)(C1)OC21COC1	REAL300012021842	0	56	0.0	-68.19	423.11	9.36	-58.83
COC1=CC=CC=C1C=CC[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021843	0	48	0.0	-69.60	380.68	6.20	-63.40
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)SC(Br)=C1	REAL300012021844	0	40	0.0	-70.31	351.55	5.93	-64.38
CC1=NN(C2CCC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021845	0	50	0.0	-71.09	388.30	5.95	-65.14
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=NN1CC(F)F	REAL300012021846	0	46	0.0	-71.37	374.62	4.98	-66.39
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=N4)N=C3)(C1)OC21COC1	REAL300012021847	0	48	0.0	-76.89	389.66	5.92	-70.97
CCCN1N=C(C)C(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021848	0	49	0.0	-71.62	402.87	5.86	-65.76
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021849	0	47	0.0	-79.47	383.79	4.83	-74.64
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CC4=CC=CC=C4)C=C3)(C1)OC21COC1	REAL300012021850	0	53	0.0	-69.59	424.05	10.01	-59.58
CCCCC(=O)NC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021851	0	56	0.0	-74.07	440.14	6.84	-67.23
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=N1	REAL300012021852	0	46	0.0	-74.78	363.35	2.84	-71.94
CCN(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C)=C1	REAL300012021853	0	54	0.0	-65.80	408.56	7.55	-58.25
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C(Cl)=CS3)(C1)OC21COC1	REAL300012021854	0	37	0.0	-68.24	342.71	5.59	-62.65
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021855	0	61	0.0	-67.58	449.45	7.75	-59.83
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=NS1	REAL300012021856	0	39	0.0	-73.57	323.27	4.00	-69.57
COC1=CC(C)=CC(OC)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021857	0	51	0.0	-58.62	398.20	4.95	-53.67
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CF)C=C3)(C1)OC21COC1	REAL300012021858	0	43	0.0	-71.39	349.24	6.37	-65.02
O=C([O-])C12CC(C[NH2+]CC3=CC=C4SC=CC4=C3)(C1)OC21COC1	REAL300012021859	0	43	0.0	-73.98	358.18	6.92	-67.06
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3)(C1)OC21COC1	REAL300012021860	0	49	0.0	-74.21	389.89	7.25	-66.96
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3CO)(C1)OC21COC1	REAL300012021861	0	44	0.0	-71.36	344.61	3.02	-68.34
CC1=NSC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021862	0	42	0.0	-75.08	343.81	4.39	-70.69
CC(C)(C)C1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=NO1	REAL300012021863	0	48	0.0	-70.86	364.46	5.59	-65.27
CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1C(F)(F)F	REAL300012021864	0	46	0.0	-63.70	363.74	7.04	-56.66
C=CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=N1	REAL300012021865	0	44	0.0	-71.75	357.63	4.81	-66.94
O=C([O-])C12CC(C[NH2+]CC3=CC4=NNC=C4C=C3)(C1)OC21COC1	REAL300012021866	0	43	0.0	-73.56	346.73	4.30	-69.26
CCC(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=C1	REAL300012021867	0	52	0.0	-68.11	399.93	8.15	-59.96
O=C([O-])C12CC(C[NH2+]CC3=C4SC(C(F)F)=NC4=CC=C3)(C1)OC21COC1	REAL300012021868	0	45	0.0	-74.09	387.01	5.89	-68.20
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(CCOC4)N=C3Cl)(C1)OC21COC1	REAL300012021869	0	47	0.0	-72.88	382.14	4.21	-68.67
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021870	0	53	0.0	-72.96	420.73	8.08	-64.88
CC(F)(F)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=N1	REAL300012021871	0	45	0.0	-74.11	370.37	5.51	-68.60
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3CCCC4)(C1)OC21COC1	REAL300012021872	0	50	0.0	-67.65	375.85	7.94	-59.71
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021873	0	47	0.0	-74.65	381.13	7.43	-67.22
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C(F)(F)F)=C3F)(C1)OC21COC1	REAL300012021874	0	43	0.0	-73.89	364.75	6.57	-67.32
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4C=CN=N4)C=C3)(C1)OC21COC1	REAL300012021875	0	46	0.0	-83.73	373.63	5.46	-78.27
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C=CC2=CC=CC=C21	REAL300012021876	0	49	0.0	-70.98	378.72	8.25	-62.73
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021877	0	58	0.0	-71.16	446.43	7.19	-63.97
COC1=C2C=CNC2=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021878	0	48	0.0	-67.97	383.16	5.04	-62.93
CC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C(C)S1	REAL300012021879	0	42	0.0	-66.13	346.73	3.97	-62.16
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCC(O)C4)C=C3)(C1)OC21COC1	REAL300012021880	0	53	0.0	-72.17	410.28	2.68	-69.49
COC1=CC=C(OC)C(OC)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021881	0	52	0.0	-62.26	407.66	4.18	-58.08
CCCN1N=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1C	REAL300012021882	0	49	0.0	-71.14	385.94	5.40	-65.74
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C2=NC=CC=C2C=C1	REAL300012021883	0	48	0.0	-62.09	376.22	6.66	-55.43
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=CN=C1N1C=CC=N1	REAL300012021884	0	49	0.0	-79.26	392.05	6.90	-72.36
COC(=O)C1=CN(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)=C1	REAL300012021885	0	47	0.0	-78.85	383.18	5.68	-73.17
CCCN1N=C(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(COC1)O2	REAL300012021886	0	49	0.0	-73.24	381.62	5.44	-67.80
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)C(C2CCC2)=N1	REAL300012021887	0	50	0.0	-72.08	391.68	6.01	-66.07
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(COC2)O3)O1	REAL300012021888	0	48	0.0	-72.17	380.46	3.05	-69.12
CC1=CC=C(N2C=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)C(C(C)(C)C)=N2)C=C1	REAL300012021889	0	58	0.0	-65.91	424.79	12.28	-53.63
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OCC1=CC=CC=C1	REAL300012021890	0	54	0.0	-70.29	420.43	11.35	-58.94
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012021891	0	46	0.0	-65.12	381.22	10.28	-54.84
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CC=C2)C1	REAL300012021892	0	53	0.0	-67.90	415.47	12.75	-55.15
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(Br)O2)C1	REAL300012021893	0	33	0.0	-65.50	282.37	7.03	-58.47
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OCC1=CC=C(F)C=C1	REAL300012021894	0	54	0.0	-70.65	426.85	11.42	-59.23
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=C2)C=C1	REAL300012021895	0	54	0.0	-74.45	421.40	9.49	-64.96
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(NC(=O)C3=CC=CC=C3Cl)=CC=C2)C1	REAL300012021896	0	50	0.0	-74.26	404.25	10.70	-63.56
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012021897	0	46	0.0	-68.82	359.17	9.92	-58.90
N#CCCN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300012021898	0	50	0.0	-72.46	401.45	10.71	-61.75
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OC(F)F	REAL300012021899	0	44	0.0	-70.29	348.44	7.66	-62.63
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CN=C2)C1	REAL300012021900	0	52	0.0	-68.75	410.26	10.96	-57.79
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=C(Br)C=C3)O2)C1	REAL300012021901	0	43	0.0	-66.10	361.46	10.68	-55.42
CCOC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC(Br)=C1OC	REAL300012021902	0	47	0.0	-71.23	385.40	9.07	-62.16
CCOC1=C(Br)C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012021903	0	47	0.0	-70.98	385.41	9.11	-61.87
C=CCOC1=C(Br)C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012021904	0	48	0.0	-71.35	398.32	9.68	-61.67
CCCOC1=CC=C(Br)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012021905	0	46	0.0	-59.35	372.70	9.89	-49.46
CCOC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OC	REAL300012021906	0	47	0.0	-68.61	360.53	8.30	-60.31
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)C1	REAL300012021907	0	50	0.0	-58.24	390.36	11.55	-46.69
CCCCCOC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012021908	0	52	0.0	-64.54	395.78	10.77	-53.77
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)C1	REAL300012021909	0	45	0.0	-72.27	368.37	10.74	-61.53
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)C1	REAL300012021910	0	45	0.0	-72.67	368.35	10.74	-61.93
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300012021911	0	40	0.0	-68.18	329.85	8.14	-60.04
CCCCOC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012021912	0	53	0.0	-68.40	403.53	9.88	-58.52
CCCOC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012021913	0	50	0.0	-68.44	382.03	9.10	-59.34
C=CCOC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012021914	0	48	0.0	-68.95	373.44	8.88	-60.07
CCCCCCOC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012021915	0	59	0.0	-68.22	446.53	11.44	-56.78
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)C1	REAL300012021916	0	43	0.0	-65.98	356.89	10.59	-55.39
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)C1	REAL300012021917	0	43	0.0	-64.47	357.02	10.62	-53.85
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC(Br)=C3)O2)C1	REAL300012021918	0	43	0.0	-65.83	361.47	10.69	-55.14
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)C1	REAL300012021919	0	43	0.0	-64.89	364.50	11.48	-53.41
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300012021920	0	46	0.0	-67.86	364.69	9.86	-58.00
CCC1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300012021921	0	45	0.0	-65.21	350.21	10.10	-55.11
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC(OC)=C1OCC1=CC=CC=C1	REAL300012021922	0	58	0.0	-73.62	454.13	11.31	-62.31
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)C1	REAL300012021923	0	45	0.0	-69.25	364.26	11.35	-57.90
CN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012021924	0	55	0.0	-67.53	421.67	9.25	-58.28
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300012021925	0	42	0.0	-64.31	351.18	9.04	-55.27
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2OC(F)(F)F)C1	REAL300012021926	0	40	0.0	-61.53	325.10	8.06	-53.47
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(SC(F)(F)F)C=C2)C1	REAL300012021927	0	40	0.0	-67.76	336.33	9.65	-58.11
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C([N+](=O)[O-])C=C1O	REAL300012021928	0	43	0.0	-67.89	336.81	5.75	-62.14
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300012021929	0	40	0.0	-67.74	325.93	7.98	-59.76
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S2)C1	REAL300012021930	0	45	0.0	-71.51	375.96	11.63	-59.88
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)C1	REAL300012021931	0	45	0.0	-69.34	372.71	11.52	-57.82
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C1	REAL300012021932	0	43	0.0	-69.57	343.44	8.11	-61.46
CC1=CC=C(C2=NNC=C2C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012021933	0	46	0.0	-66.35	358.42	8.72	-57.63
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CNN=C2C2=CC=CS2)C1	REAL300012021934	0	40	0.0	-62.67	321.17	7.23	-55.44
COC1=CC=C(C2=NNC=C2C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012021935	0	47	0.0	-67.78	366.50	7.35	-60.43
CCOC1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)=NN1CC(C)C	REAL300012021936	0	55	0.0	-60.16	407.67	8.32	-51.84
CC1=CC=C(C2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)O2)C=C1	REAL300012021937	0	46	0.0	-64.80	361.58	10.74	-54.06
CC1=CC=C(C2=NNC=C2C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)O1	REAL300012021938	0	43	0.0	-62.63	340.97	7.29	-55.34
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CNN=C2C2=CC=CN=C2)C1	REAL300012021939	0	42	0.0	-70.99	331.76	6.28	-64.71
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)C1	REAL300012021940	0	49	0.0	-71.63	380.87	7.19	-64.44
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OCC3CCCO3)C=C2)C1	REAL300012021941	0	51	0.0	-67.43	388.36	8.88	-58.55
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)C1	REAL300012021942	0	43	0.0	-65.41	354.18	11.03	-54.38
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)C1	REAL300012021943	0	49	0.0	-62.53	382.50	9.82	-52.71
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012021944	0	45	0.0	-66.06	350.83	7.17	-58.89
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C1	REAL300012021945	0	42	0.0	-73.72	333.22	10.71	-63.01
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=C(Br)C=C3)S2)C1	REAL300012021946	0	43	0.0	-64.97	369.07	11.59	-53.38
CC(C)N1N=CC2=CC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=C(Cl)N=C21	REAL300012021947	0	47	0.0	-70.07	378.76	9.29	-60.78
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)C1	REAL300012021948	0	43	0.0	-63.77	364.69	11.48	-52.29
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OCC1=CC=NC=C1	REAL300012021949	0	53	0.0	-72.01	415.33	9.58	-62.43
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)C1	REAL300012021950	0	43	0.0	-64.61	357.14	11.14	-53.47
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC=C3Br)S2)C1	REAL300012021951	0	43	0.0	-63.82	368.28	11.55	-52.27
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)C1	REAL300012021952	0	39	0.0	-62.14	330.83	9.66	-52.48
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)C1	REAL300012021953	0	39	0.0	-73.85	324.78	9.26	-64.59
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Cl)=CC=C2Cl)C1	REAL300012021954	0	36	0.0	-60.26	309.89	9.16	-51.10
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(F)C=C2C(F)(F)F)C1	REAL300012021955	0	39	0.0	-65.19	315.49	9.33	-55.86
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300012021956	0	39	0.0	-70.90	325.40	9.26	-61.64
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(C(F)(F)F)=CC=C2F)C1	REAL300012021957	0	39	0.0	-63.93	323.50	9.24	-54.69
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(Cl)=C1OC	REAL300012021958	0	44	0.0	-64.90	355.09	7.97	-56.93
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012021959	0	52	0.0	-63.91	415.75	11.48	-52.43
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC(Br)=C3)S2)C1	REAL300012021960	0	43	0.0	-64.96	369.06	11.58	-53.38
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Cl)=CC=C2OC(F)F)C1	REAL300012021961	0	40	0.0	-64.52	334.55	8.33	-56.19
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C1	REAL300012021962	0	43	0.0	-64.92	364.50	11.47	-53.45
N#CC1=CC=CC(COC2=CC=CC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=C2)=C1	REAL300012021963	0	51	0.0	-68.77	412.07	11.85	-56.92
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)C1	REAL300012021964	0	46	0.0	-73.24	363.09	6.71	-66.53
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OCC(F)(F)F	REAL300012021965	0	47	0.0	-72.30	380.10	8.76	-63.54
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C1	REAL300012021966	0	49	0.0	-68.54	386.08	9.69	-58.85
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Br)=C3OCCOC3=C2)C1	REAL300012021967	0	42	0.0	-69.15	345.30	8.02	-61.13
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Br)=C3OCCCOC3=C2)C1	REAL300012021968	0	45	0.0	-70.89	363.75	8.80	-62.09
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(N3C=CC(C(F)(F)F)=N3)C=C2)C1	REAL300012021969	0	46	0.0	-74.05	379.45	10.34	-63.71
CC(C)C1=NN(C)C(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012021970	0	45	0.0	-62.19	360.56	8.14	-54.05
COCCOC1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012021971	0	47	0.0	-65.08	364.91	7.68	-57.40
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C1	REAL300012021972	0	41	0.0	-65.72	340.72	7.12	-58.60
CC(C)N1C2=CC=CC=C2N=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012021973	0	48	0.0	-67.26	361.85	9.78	-57.48
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300012021974	0	52	0.0	-72.70	398.57	8.13	-64.57
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C1	REAL300012021975	0	43	0.0	-66.36	350.85	8.87	-57.49
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC3=C2OCCCO3)C1	REAL300012021976	0	45	0.0	-63.41	342.13	8.17	-55.24
CCCN1C2=CC=CC=C2N=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012021977	0	48	0.0	-66.37	370.48	10.20	-56.17
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C1	REAL300012021978	0	43	0.0	-64.18	346.50	10.78	-53.40
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C1	REAL300012021979	0	50	0.0	-63.20	373.97	10.38	-52.82
CN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012021980	0	49	0.0	-63.27	389.34	10.19	-53.08
CC1=CC=C(C2=NC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=CS2)C=C1	REAL300012021981	0	45	0.0	-62.73	366.18	9.65	-53.08
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C1	REAL300012021982	0	50	0.0	-65.54	394.91	11.63	-53.91
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)C1	REAL300012021983	0	46	0.0	-64.89	376.36	8.48	-56.41
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CSC(C3=CC=C(C(F)(F)F)C=C3)=N2)C1	REAL300012021984	0	45	0.0	-65.29	383.46	9.97	-55.32
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CSC(COC3=CC=C(Cl)C=C3)=N2)C1	REAL300012021985	0	46	0.0	-65.18	393.09	9.00	-56.18
CC1=CC=C(OCC2=NC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=CS2)C=C1	REAL300012021986	0	49	0.0	-64.81	397.77	9.16	-55.65
COC1=CC=C(OCC2=NC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=CS2)C=C1	REAL300012021987	0	50	0.0	-66.32	405.86	7.77	-58.55
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CSC(C3=CSC=C3)=N2)C1	REAL300012021988	0	39	0.0	-62.68	336.34	7.93	-54.75
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C1	REAL300012021989	0	43	0.0	-65.85	354.19	11.03	-54.82
CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012021990	0	50	0.0	-61.99	387.55	9.08	-52.91
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2OC2CCCC2)C1	REAL300012021991	0	50	0.0	-57.44	373.74	10.46	-46.98
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012021992	0	53	0.0	-63.39	411.42	9.07	-54.32
CC1=CC=C(C2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300012021993	0	46	0.0	-63.77	369.17	11.63	-52.14
COC1=CC(OC2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2)=CC(OC)=C1	REAL300012021994	0	55	0.0	-70.55	427.59	9.64	-60.91
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C1	REAL300012021995	0	42	0.0	-72.54	346.56	8.50	-64.04
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012021996	0	40	0.0	-64.78	342.74	8.69	-56.09
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Br)=CC=C2Cl)C1	REAL300012021997	0	36	0.0	-60.23	314.45	9.26	-50.97
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Cl)=CC=C2Br)C1	REAL300012021998	0	36	0.0	-59.58	313.48	9.26	-50.32
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)C1	REAL300012021999	0	47	0.0	-66.63	381.46	11.17	-55.46
CCOC1=C(OC)C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012022000	0	51	0.0	-72.59	394.21	8.25	-64.34
COCCCOC1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022001	0	50	0.0	-65.30	386.45	8.28	-57.02
COC1=CC=C(OC(F)F)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022002	0	44	0.0	-63.51	347.29	7.09	-56.42
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(Br)=C2OC(F)F)C1	REAL300012022003	0	40	0.0	-63.13	336.24	8.41	-54.72
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Cl)C=CC=C2OC(F)F)C1	REAL300012022004	0	40	0.0	-58.20	331.89	8.22	-49.98
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(OCCCC3=CC=CC=C3)=C2)C1	REAL300012022005	0	56	0.0	-65.02	434.19	13.01	-52.01
CC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OC1=CC=CN=C1	REAL300012022006	0	49	0.0	-68.03	385.75	10.08	-57.95
O=C(COC1=CC=CC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1)NCC1CC1	REAL300012022007	0	54	0.0	-61.69	422.15	9.48	-52.21
CC1=CC=C(C2=NC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)S2)C=C1	REAL300012022008	0	45	0.0	-65.59	366.35	9.87	-55.72
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C1	REAL300012022009	0	41	0.0	-59.19	336.43	9.22	-49.97
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(F)C3=CC=CN=C23)C1	REAL300012022010	0	41	0.0	-62.32	325.88	8.76	-53.56
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(F)=CC3=CC=CN=C32)C1	REAL300012022011	0	41	0.0	-60.17	326.15	8.78	-51.39
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C1	REAL300012022012	0	41	0.0	-61.60	334.73	9.15	-52.45
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)C1	REAL300012022013	0	43	0.0	-66.01	354.66	10.23	-55.78
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)O1	REAL300012022014	0	46	0.0	-66.26	367.11	10.81	-55.45
CCC1=CC=C(C2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)O2)C=C1	REAL300012022015	0	49	0.0	-64.66	383.06	11.51	-53.15
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(OC(F)F)=C1	REAL300012022016	0	44	0.0	-66.33	347.29	7.11	-59.22
COC1=CC=C2OC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=CC2=C1	REAL300012022017	0	43	0.0	-67.88	337.28	7.98	-59.90
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C1	REAL300012022018	0	44	0.0	-67.67	346.69	9.93	-57.74
CC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300012022019	0	39	0.0	-65.06	319.43	9.37	-55.69
CC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300012022020	0	39	0.0	-66.52	319.95	9.39	-57.13
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Cl)=CC3=C2OCC3)C1	REAL300012022021	0	41	0.0	-60.71	332.97	8.53	-52.18
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)O2)C=C1	REAL300012022022	0	55	0.0	-64.37	416.29	12.39	-51.98
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022023	0	56	0.0	-59.94	413.10	11.27	-48.67
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022024	0	56	0.0	-60.09	421.66	11.34	-48.75
CC1=CC=CC(COC2=C(C)C=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2C)=C1	REAL300012022025	0	59	0.0	-66.64	457.22	13.76	-52.88
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300012022026	0	59	0.0	-66.63	449.18	13.67	-52.96
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022027	0	54	0.0	-62.58	414.63	12.94	-49.64
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022028	0	52	0.0	-67.57	419.39	11.33	-56.24
CCN(CC)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300012022029	0	50	0.0	-67.94	379.20	9.24	-58.70
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C(SC)C=C1OC	REAL300012022030	0	48	0.0	-62.45	374.82	8.33	-54.12
COC1=CC=C2N=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)SC2=C1	REAL300012022031	0	42	0.0	-65.03	342.11	7.02	-58.01
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022032	0	42	0.0	-69.54	344.45	9.07	-60.47
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(SC(F)F)C=C2)C1	REAL300012022033	0	40	0.0	-66.85	329.75	9.45	-57.40
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C1	REAL300012022034	0	40	0.0	-71.22	325.41	7.83	-63.39
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022035	0	42	0.0	-67.56	334.36	9.84	-57.72
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300012022036	0	44	0.0	-71.74	359.15	8.03	-63.71
CCOC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OC(C)C(=O)N(C)C	REAL300012022037	0	60	0.0	-80.60	452.12	10.03	-70.57
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Br)=CC=C2OC(F)F)C1	REAL300012022038	0	40	0.0	-64.41	339.11	8.43	-55.98
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022039	0	52	0.0	-62.61	421.77	11.38	-51.23
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OCC(C)C	REAL300012022040	0	53	0.0	-68.05	402.13	9.78	-58.27
CCCOC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OC	REAL300012022041	0	50	0.0	-68.31	382.02	9.10	-59.21
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(Br)S2)C1	REAL300012022042	0	33	0.0	-64.84	291.83	8.02	-56.82
CCOC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300012022043	0	47	0.0	-71.44	381.02	8.96	-62.48
COC1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1OC(C)C	REAL300012022044	0	50	0.0	-61.77	376.17	9.09	-52.68
CCOC1=C(Cl)C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012022045	0	47	0.0	-71.21	381.02	8.99	-62.22
CCCOC1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=CC=C1OCC	REAL300012022046	0	53	0.0	-61.88	404.40	10.13	-51.75
CCCCOC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OC	REAL300012022047	0	53	0.0	-68.39	403.52	9.88	-58.51
CCCOC1=C(Cl)C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OCC	REAL300012022048	0	53	0.0	-71.23	424.37	10.72	-60.51
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022049	0	52	0.0	-63.60	415.50	11.81	-51.79
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC(F)F	REAL300012022050	0	44	0.0	-67.10	348.43	7.67	-59.43
CCOC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OC(F)F	REAL300012022051	0	47	0.0	-69.95	370.28	8.58	-61.37
CC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC(C)=C1OC(F)F	REAL300012022052	0	46	0.0	-67.20	359.00	9.25	-57.95
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CSC(C3=CC=CC(Br)=C3)=N2)C1	REAL300012022053	0	42	0.0	-63.99	366.60	9.61	-54.38
CCOC1=CC2=C(C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1)OC(C)C2	REAL300012022054	0	51	0.0	-59.50	387.50	9.10	-50.40
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC2=C1OCCO2	REAL300012022055	0	46	0.0	-70.61	354.15	7.23	-63.38
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1	REAL300012022056	0	45	0.0	-71.14	374.68	9.62	-61.52
CCCCN1N=C(C)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300012022057	0	48	0.0	-62.09	383.42	9.25	-52.84
CCOC1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1OC(F)F	REAL300012022058	0	47	0.0	-61.66	369.17	8.68	-52.98
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2OCC(=O)N2CCCC2)C1	REAL300012022059	0	54	0.0	-61.88	414.64	10.37	-51.51
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2C2=CC=CC=C2)C1	REAL300012022060	0	56	0.0	-67.21	440.89	13.21	-54.00
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C1	REAL300012022061	0	43	0.0	-63.78	347.78	10.96	-52.82
CCCOC1=C(Cl)C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012022062	0	50	0.0	-71.08	402.52	9.80	-61.28
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022063	0	58	0.0	-64.99	428.22	12.04	-52.95
CC(C)(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022064	0	55	0.0	-61.20	421.16	11.80	-49.40
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022065	0	55	0.0	-62.41	441.29	11.98	-50.43
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)C1	REAL300012022066	0	43	0.0	-68.77	354.14	10.22	-58.55
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022067	0	59	0.0	-67.53	448.85	10.63	-56.90
CN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C2CCCCC2)=N1	REAL300012022068	0	52	0.0	-66.18	386.77	9.71	-56.47
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022069	0	55	0.0	-65.58	420.09	12.37	-53.21
CC1(C)CCC2=C(C1)SC(C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1)=N2	REAL300012022070	0	48	0.0	-60.50	364.70	8.86	-51.64
CC1=C(C)C=C2OC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=CC2=C1	REAL300012022071	0	45	0.0	-65.84	346.79	9.92	-55.92
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)C1	REAL300012022072	0	43	0.0	-68.73	353.74	8.57	-60.16
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OCC1=C(C)ON=C1C	REAL300012022073	0	56	0.0	-73.91	437.72	10.13	-63.78
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C1	REAL300012022074	0	43	0.0	-65.48	348.58	10.18	-55.30
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Cl)=C3OCCOC3=C2)C1	REAL300012022075	0	42	0.0	-69.44	340.92	7.90	-61.54
CCCCC1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300012022076	0	51	0.0	-65.51	393.21	11.67	-53.84
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C1	REAL300012022077	0	49	0.0	-74.51	386.82	12.85	-61.66
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OCC1=CC=CS1	REAL300012022078	0	51	0.0	-70.07	410.68	10.43	-59.64
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022079	0	49	0.0	-68.73	384.25	10.36	-58.37
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300012022080	0	45	0.0	-71.14	359.36	8.69	-62.45
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(OCC3=CC=CC=C3Cl)=C2)C1	REAL300012022081	0	50	0.0	-65.01	404.36	12.04	-52.97
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1	REAL300012022082	0	45	0.0	-66.62	338.83	9.43	-57.19
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)C1	REAL300012022083	0	43	0.0	-74.39	357.08	8.95	-65.44
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)C1	REAL300012022084	0	42	0.0	-73.90	352.18	8.63	-65.27
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C1	REAL300012022085	0	42	0.0	-70.69	355.94	8.58	-62.11
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(O)C=CC(Cl)=C2F)C1	REAL300012022086	1	37	0.0	-62.63	311.62	5.93	-56.70
CC1=CC(Br)=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1OC(F)F	REAL300012022087	0	43	0.0	-60.93	357.16	9.10	-51.83
CCN1N=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C21	REAL300012022088	0	45	0.0	-63.93	351.69	8.97	-54.96
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Br)=C(Cl)S2)C1	REAL300012022089	0	33	0.0	-67.12	308.18	8.51	-58.61
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300012022090	0	53	0.0	-79.21	415.46	13.13	-66.08
COC1=CC=C(C2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)O2)C([N+](=O)[O-])=C1	REAL300012022091	0	49	0.0	-70.37	393.75	10.64	-59.73
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)O2)C1	REAL300012022092	0	43	0.0	-67.51	372.06	11.04	-56.47
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OC3=CC=C(F)C=C3)C([N+](=O)[O-])=C2)C1	REAL300012022093	0	49	0.0	-83.22	401.05	12.40	-70.82
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022094	0	49	0.0	-62.77	400.39	10.71	-52.06
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022095	0	49	0.0	-63.69	414.53	11.18	-52.51
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2C2=CC=CS2)C1	REAL300012022096	0	53	0.0	-63.79	425.55	12.41	-51.38
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2C2=CC=CN=C2)C1	REAL300012022097	0	55	0.0	-68.58	435.74	11.42	-57.16
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022098	0	46	0.0	-64.97	391.60	10.73	-54.24
CC1=NN(CC2=CC=C(Cl)C=C2)C(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022099	0	49	0.0	-63.87	417.10	11.22	-52.65
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OC(C)C	REAL300012022100	0	50	0.0	-68.33	378.46	8.92	-59.41
CCCOC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OCC	REAL300012022101	0	53	0.0	-68.45	403.88	10.02	-58.43
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022102	0	49	0.0	-64.51	406.77	10.77	-53.74
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(Br)C(Br)=C2)C1	REAL300012022103	0	36	0.0	-69.68	320.19	9.34	-60.34
CCCCCCCOC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022104	0	58	0.0	-64.56	438.78	12.33	-52.23
CC(C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012022105	0	57	0.0	-63.02	413.38	12.55	-50.47
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Br)C=CS2)C1	REAL300012022106	0	33	0.0	-57.88	290.10	7.84	-50.04
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2N2CCOCC2)C1	REAL300012022107	0	49	0.0	-60.08	364.49	7.75	-52.33
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(F)=CC=C2Br)C1	REAL300012022108	0	36	0.0	-60.25	303.15	8.81	-51.44
CC1=CC=C(C2=CC=CC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=C2)C=C1	REAL300012022109	0	49	0.0	-65.24	375.54	12.26	-52.98
COC1=CC=C(Br)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022110	0	40	0.0	-58.78	325.34	8.07	-50.71
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300012022111	0	42	0.0	-79.92	335.46	8.92	-71.00
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300012022112	0	36	0.0	-67.49	313.40	9.19	-58.30
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Br)=CO2)C1	REAL300012022113	0	33	0.0	-65.16	282.91	6.96	-58.20
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022114	0	49	0.0	-64.24	375.95	12.26	-51.98
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C1	REAL300012022115	0	42	0.0	-72.57	358.24	10.22	-62.35
CCOC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OCC	REAL300012022116	0	50	0.0	-68.60	382.38	9.22	-59.38
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300012022117	0	39	0.0	-72.79	332.35	9.62	-63.17
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(F)C=C2Br)C1	REAL300012022118	0	36	0.0	-62.68	303.15	8.80	-53.88
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300012022119	0	40	0.0	-67.43	325.93	7.98	-59.45
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022120	0	50	0.0	-65.46	388.14	11.25	-54.21
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)C1	REAL300012022121	0	46	0.0	-67.08	379.22	11.08	-56.00
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300012022122	0	46	0.0	-65.81	349.26	9.67	-56.14
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(Br)=C1O	REAL300012022123	0	41	0.0	-64.00	336.10	5.91	-58.09
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CSC(Br)=C2)C1	REAL300012022124	0	33	0.0	-65.60	292.12	7.89	-57.71
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OCC1=CC=CN=C1	REAL300012022125	0	53	0.0	-72.69	415.27	9.57	-63.12
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)S2)C1	REAL300012022126	0	43	0.0	-65.98	379.65	11.93	-54.05
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CCOC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012022277	0	47	0.0	-68.62	360.53	8.30	-60.32
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COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(OC)=C1OC	REAL300012022279	0	48	0.0	-65.62	373.47	7.45	-58.17
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COC1=CC=C(Br)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022281	0	40	0.0	-59.95	329.35	8.15	-51.80
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC(Br)=C1O	REAL300012022282	0	41	0.0	-70.90	341.12	5.98	-64.92
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COC1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300012022284	0	46	0.0	-57.97	350.84	9.68	-48.29
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COC1=CC(OC)=C(OC)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022286	0	48	0.0	-63.82	367.28	6.76	-57.06
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O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(CC(F)(F)F)N=C2)C1	REAL300012022291	0	39	0.0	-71.66	322.67	7.37	-64.29
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2I)C1	REAL300012022292	0	36	0.0	-57.58	300.62	9.21	-48.37
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OC(F)F)C=C2OC(F)F)C1	REAL300012022293	0	44	0.0	-67.37	357.05	7.39	-59.98
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(N3CCCCC3)C([N+](=O)[O-])=C2)C1	REAL300012022294	0	53	0.0	-77.26	402.94	11.43	-65.83
CN(CCC#N)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022295	0	48	0.0	-66.87	374.10	10.04	-56.83
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)C1	REAL300012022296	0	46	0.0	-62.23	360.05	9.92	-52.31
CCOC1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1OC	REAL300012022297	0	47	0.0	-62.13	361.04	8.40	-53.73
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OCC(N)=O	REAL300012022298	0	48	0.0	-81.61	377.26	5.34	-76.27
CCNC(=O)COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012022299	0	54	0.0	-79.14	420.68	7.62	-71.52
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC2=C1OCO2	REAL300012022300	0	43	0.0	-73.40	335.52	6.13	-67.27
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COC1=CC2=C(C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1)OC(C)C2	REAL300012022302	0	48	0.0	-59.86	364.93	8.13	-51.73
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC(OC)=C1OCC(N)=O	REAL300012022303	0	52	0.0	-81.64	410.95	5.16	-76.48
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC(Cl)=C1OCC(N)=O	REAL300012022304	0	48	0.0	-79.90	397.75	6.01	-73.89
CCN(C(C)=O)C1=NC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CS1	REAL300012022305	0	45	0.0	-66.29	358.63	8.02	-58.27
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CC1=CC=CC=C1C1=CC=CC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022310	0	49	0.0	-57.28	370.22	12.03	-45.25
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CC(=O)N(C1=NC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CS1)C1=CC=C(F)C=C1	REAL300012022318	0	49	0.0	-65.92	406.65	10.55	-55.37
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CC(C)(C)OC(=O)C1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022346	0	51	0.0	-67.35	389.62	10.89	-56.46
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022347	0	46	0.0	-52.68	369.00	10.87	-41.81
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CC1=CC=C(OC(F)F)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022350	0	43	0.0	-62.78	339.70	8.51	-54.27
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O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(Br)C(Cl)=C2)C1	REAL300012022360	0	36	0.0	-69.72	316.06	9.25	-60.47
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CN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C2=CC=C(F)C=C2)=N1	REAL300012022365	0	46	0.0	-69.46	366.29	9.43	-60.03
CN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C2=CC=C(C#N)C=C2)=N1	REAL300012022366	0	47	0.0	-74.44	380.63	9.75	-64.69
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CN1C=C(C2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)S2)C=N1	REAL300012022371	0	43	0.0	-66.78	354.41	8.88	-57.90
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C3OCCCCOC3=C2)C1	REAL300012022372	0	48	0.0	-68.27	359.53	9.09	-59.18
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COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022375	0	47	0.0	-66.55	365.99	8.59	-57.96
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CC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C2=CC=NN2C)=C1	REAL300012022380	0	49	0.0	-62.48	373.19	9.64	-52.84
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)C1	REAL300012022381	0	46	0.0	-71.75	378.00	10.41	-61.34
CC1=CC(Br)=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300012022382	0	39	0.0	-59.54	331.32	9.87	-49.67
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)C1	REAL300012022383	0	46	0.0	-62.79	379.25	10.16	-52.63
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O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)C1	REAL300012022385	0	42	0.0	-60.21	336.26	11.77	-48.44
COC(=O)C1=C(C)N(C)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022386	0	46	0.0	-71.76	358.15	8.74	-63.02
COCCOCC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022387	0	50	0.0	-65.98	390.47	8.14	-57.84
CSCC1=CN=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300012022388	0	39	0.0	-62.72	331.88	7.37	-55.35
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CSC=C2C(F)(F)F)C1	REAL300012022389	0	36	0.0	-58.87	300.34	8.18	-50.69
CC1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)SC2=C(Cl)C=CC=C12	REAL300012022390	0	42	0.0	-64.96	351.11	10.72	-54.24
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)C1	REAL300012022391	0	50	0.0	-70.57	403.89	10.60	-59.97
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(F)C=C2I)C1	REAL300012022392	0	36	0.0	-61.45	308.47	9.24	-52.21
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C1	REAL300012022393	0	39	0.0	-73.98	319.53	7.28	-66.70
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)O1	REAL300012022394	0	46	0.0	-62.52	364.44	8.62	-53.90
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Br)=CN=C2Cl)C1	REAL300012022395	0	35	0.0	-64.39	308.18	7.40	-56.99
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(OC(F)F)=CC=C2Br)C1	REAL300012022396	0	40	0.0	-62.49	335.11	8.35	-54.14
CC1=CC=C(C2=NC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)S2)C=C1C	REAL300012022397	0	48	0.0	-65.75	383.32	10.41	-55.34
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022398	0	46	0.0	-72.94	364.09	10.10	-62.84
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022399	0	46	0.0	-69.98	375.44	10.77	-59.21
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022400	0	46	0.0	-70.38	371.81	10.63	-59.75
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022401	0	49	0.0	-68.74	380.57	10.60	-58.14
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022402	0	46	0.0	-67.65	379.70	10.60	-57.05
CC(C)(C#N)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022403	0	46	0.0	-68.08	356.56	10.14	-57.94
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN=NN2C2=CC=CC=C2)C1	REAL300012022404	0	42	0.0	-70.59	330.24	7.82	-62.77
COC1=CC(OC)=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300012022405	0	44	0.0	-64.49	344.28	6.93	-57.56
COC1=CC(F)=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012022406	0	44	0.0	-65.83	343.67	7.45	-58.38
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3F)=C2)C1	REAL300012022407	0	50	0.0	-65.73	401.32	11.70	-54.03
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022408	0	49	0.0	-68.73	379.79	10.65	-58.08
CCCOC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300012022409	0	49	0.0	-64.18	368.70	9.78	-54.40
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC3=CC(Br)=CC=C3O2)C1	REAL300012022410	0	39	0.0	-67.57	329.10	9.32	-58.25
CCC1=C2OC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=CC2=CC=C1	REAL300012022411	0	45	0.0	-65.66	350.71	10.12	-55.54
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(OC3CC3)=C2F)C1	REAL300012022412	0	44	0.0	-63.93	346.37	9.20	-54.73
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(F)=C2OC(F)F)C1	REAL300012022413	0	40	0.0	-64.51	324.80	7.89	-56.62
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(F)=CC=C2OC(F)F)C1	REAL300012022414	0	40	0.0	-65.35	324.22	7.88	-57.47
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(C3CCCC3)=C2)C1	REAL300012022415	0	49	0.0	-61.95	364.09	11.39	-50.56
CN1C=C(C2=NN(C)C=C2C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300012022416	0	46	0.0	-66.62	363.34	7.16	-59.46
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2C1	REAL300012022417	0	60	0.0	-69.23	446.32	11.38	-57.85
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)C1	REAL300012022418	0	42	0.0	-67.27	361.69	9.71	-57.56
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CSC(C(F)(F)F)=C2)C1	REAL300012022419	0	36	0.0	-68.65	311.08	8.35	-60.30
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(C(F)(F)F)SC=C2)C1	REAL300012022420	0	36	0.0	-60.85	302.38	8.30	-52.55
CN(C)C1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=CC(F)=C1F	REAL300012022421	0	44	0.0	-67.10	340.60	8.26	-58.84
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CNN=C2C2=CC=C(Br)S2)C1	REAL300012022422	0	40	0.0	-63.83	342.86	7.96	-55.87
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(F)C=CC(F)=C2Cl)C1	REAL300012022423	0	36	0.0	-58.80	305.68	8.68	-50.12
CC(C)OC1=CC(Cl)=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300012022424	0	46	0.0	-62.40	377.58	10.07	-52.33
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OC3CCOC3)C=C2)C1	REAL300012022425	0	48	0.0	-66.37	364.96	7.79	-58.58
CN(C)C1=CC(F)=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300012022426	0	44	0.0	-65.04	345.87	7.78	-57.26
COC(=O)C1=C2CCCCN2C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022427	0	50	0.0	-72.11	382.16	9.92	-62.19
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC(C(F)(F)F)=C1	REAL300012022428	0	43	0.0	-68.10	348.16	8.47	-59.63
C=CCOC1=C(Cl)C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012022429	0	48	0.0	-71.58	393.93	9.57	-62.01
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC1CC1	REAL300012022430	0	48	0.0	-70.01	369.72	9.05	-60.96
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Cl)=CC=C2I)C1	REAL300012022431	0	36	0.0	-58.35	318.80	9.68	-48.67
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022432	0	39	0.0	-74.05	321.99	6.77	-67.28
COCC(C)OC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022433	0	50	0.0	-66.87	381.51	8.39	-58.48
CN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300012022434	0	53	0.0	-66.10	420.43	9.12	-56.98
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2OCC2=CC=C(F)C=C2F)C1	REAL300012022435	0	50	0.0	-64.14	399.86	11.75	-52.39
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C1	REAL300012022436	0	43	0.0	-65.74	347.29	10.80	-54.94
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=NN2CCC2=CC=CC=C2)C1	REAL300012022437	0	49	0.0	-68.63	379.56	10.49	-58.14
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(C(F)(F)F)=C(Br)C=C2F)C1	REAL300012022438	0	39	0.0	-68.09	340.41	9.74	-58.35
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)C1	REAL300012022439	0	43	0.0	-68.18	356.49	9.01	-59.17
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1C(C)(C)C	REAL300012022440	0	52	0.0	-64.22	381.12	10.19	-54.03
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(CC3CCC3)=C2)C1	REAL300012022441	0	49	0.0	-62.27	371.51	11.71	-50.56
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022442	0	44	0.0	-56.03	353.27	7.42	-48.61
CC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=NC=C1Br	REAL300012022443	0	38	0.0	-64.44	314.74	7.53	-56.91
CC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C(Br)C=C1F	REAL300012022444	0	39	0.0	-62.84	322.57	9.49	-53.35
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(O)C=CC=C2Br)C1	REAL300012022445	0	37	0.0	-57.50	307.69	5.88	-51.62
CN1C=C(C2=NC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=CS2)C=N1	REAL300012022446	0	42	0.0	-66.20	349.97	6.79	-59.41
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)C1	REAL300012022447	0	42	0.0	-71.67	339.78	8.09	-63.58
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2CC(F)(F)F)C1	REAL300012022448	0	42	0.0	-60.86	329.67	9.77	-51.09
CN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(Br)=N1	REAL300012022449	0	36	0.0	-65.29	303.39	6.47	-58.82
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=NC=C(Br)C=C2F)C1	REAL300012022450	0	35	0.0	-60.06	301.59	6.98	-53.08
COC1=CC(Cl)=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012022451	0	44	0.0	-64.12	351.00	7.88	-56.24
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C1	REAL300012022452	0	42	0.0	-65.14	340.91	9.97	-55.17
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022453	0	56	0.0	-68.15	427.83	8.63	-59.52
CCOC(=O)C1=C(C)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C(C)N1	REAL300012022454	0	49	0.0	-68.33	380.83	8.58	-59.75
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(F)C=CC(C(F)(F)F)=C2Br)C1	REAL300012022455	0	39	0.0	-59.70	337.52	9.57	-50.13
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C1	REAL300012022456	0	46	0.0	-67.66	372.97	12.15	-55.51
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(Br)C(F)=C2F)C1	REAL300012022457	0	36	0.0	-70.22	311.90	8.92	-61.30
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Br)SC=C2)C1	REAL300012022458	0	33	0.0	-59.40	288.40	7.85	-51.55
CCOC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C(F)C=C1OC	REAL300012022459	0	47	0.0	-65.76	365.52	8.37	-57.39
COC1=NC=C(Br)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022460	0	39	0.0	-62.60	327.55	5.57	-57.03
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C1	REAL300012022461	0	42	0.0	-68.62	326.46	10.35	-58.27
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CN=C2Br)C1	REAL300012022462	0	35	0.0	-64.00	290.99	6.90	-57.10
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CNN=C2CN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300012022463	0	50	0.0	-66.37	397.47	7.81	-58.56
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C(F)C=C1Br	REAL300012022464	0	40	0.0	-66.97	334.85	8.20	-58.77
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(Br)=C2Cl)C1	REAL300012022465	0	36	0.0	-62.63	312.54	9.21	-53.42
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)C1	REAL300012022466	0	40	0.0	-64.16	331.01	8.10	-56.06
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022467	0	46	0.0	-59.99	354.23	9.16	-50.83
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)C1	REAL300012022468	0	50	0.0	-75.02	375.93	9.19	-65.83
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OC(F)F)C=C2F)C1	REAL300012022469	0	40	0.0	-66.00	325.27	7.80	-58.20
CC(C)(C)OC1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022470	0	49	0.0	-62.72	360.33	9.32	-53.40
CC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)=C1Br	REAL300012022471	0	42	0.0	-63.96	331.58	9.90	-54.06
CC1=CC=NC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1Br	REAL300012022472	0	38	0.0	-55.94	312.09	7.43	-48.51
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022473	0	53	0.0	-67.95	402.00	8.42	-59.53
CN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C2=CC(F)=CC=C2F)=N1	REAL300012022474	0	46	0.0	-67.43	372.79	9.50	-57.93
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(F)=CC=C2OC2=CN=CC(Cl)=C2)C1	REAL300012022477	0	46	0.0	-62.11	385.29	9.81	-52.30
CN1N=C2CCSCC2=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022478	0	44	0.0	-71.35	344.03	7.85	-63.50
CCN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300012022479	0	49	0.0	-66.21	380.89	10.21	-56.00
COCC1=C(C)C=C(C)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1C	REAL300012022480	0	52	0.0	-61.85	381.45	9.39	-52.46
CC1=CC(OC2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)C(Cl)=C2)=CC=C1F	REAL300012022481	0	50	0.0	-63.28	410.23	12.23	-51.05
CCC1=CC=CC=C1OC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(Cl)=C1	REAL300012022482	0	53	0.0	-64.21	425.25	13.02	-51.19
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2OC2=CC=C(F)C(Cl)=C2)C1	REAL300012022483	0	47	0.0	-61.04	389.42	11.56	-49.48
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022484	0	50	0.0	-61.14	410.25	12.33	-48.81
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1F	REAL300012022485	0	50	0.0	-65.25	412.48	12.32	-52.93
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(F)=CC=C2OC2=CC=C(Cl)C(F)=C2)C1	REAL300012022486	0	47	0.0	-63.18	395.32	11.60	-51.58
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022487	0	50	0.0	-60.10	404.28	12.25	-47.85
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(F)=CC=C2OC2=CC=CC(Cl)=C2)C1	REAL300012022488	0	47	0.0	-63.57	390.46	11.63	-51.94
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022489	0	53	0.0	-59.69	424.67	12.97	-46.72
CC1=C(Br)C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300012022490	0	36	0.0	-63.01	311.48	8.64	-54.37
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C1	REAL300012022491	0	46	0.0	-66.75	370.87	12.11	-54.64
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(F)=C2I)C1	REAL300012022492	0	36	0.0	-61.62	307.60	9.22	-52.40
CCCOC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300012022493	0	49	0.0	-64.76	373.39	9.97	-54.79
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1COC1=CC=CC=C1	REAL300012022494	0	54	0.0	-65.56	417.88	10.91	-54.65
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1CN1C=CC=N1	REAL300012022495	0	50	0.0	-66.72	392.15	9.16	-57.56
CC1=CC=C(Br)C(F)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022496	0	39	0.0	-62.34	323.37	9.35	-52.99
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2OC2=CC=C(Cl)C(Cl)=C2)C1	REAL300012022497	0	47	0.0	-60.20	398.70	11.97	-48.23
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300012022498	0	53	0.0	-62.95	425.98	13.01	-49.94
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022499	0	44	0.0	-73.23	336.42	9.76	-63.47
COC1=CC=C(CN2C=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)N=N2)C=C1	REAL300012022500	0	49	0.0	-72.75	388.12	7.84	-64.91
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(F)=C1OC	REAL300012022501	0	44	0.0	-67.15	348.50	7.53	-59.62
COC(=O)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300012022502	0	42	0.0	-68.52	340.79	8.87	-59.65
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)C1	REAL300012022503	0	46	0.0	-66.45	366.37	8.57	-57.88
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)C1	REAL300012022504	0	50	0.0	-65.39	391.21	11.46	-53.93
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2OCC(F)F)C1	REAL300012022505	0	43	0.0	-59.79	343.47	8.80	-50.99
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Br)=C(Br)S2)C1	REAL300012022506	0	33	0.0	-67.08	312.53	8.60	-58.48
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(F)=CC=C2OC2=CC=C(F)C(Cl)=C2)C1	REAL300012022507	0	47	0.0	-63.23	395.36	11.61	-51.62
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(F)=CC=C2OC2=CC(F)=CC(F)=C2)C1	REAL300012022508	0	47	0.0	-62.91	387.11	11.26	-51.65
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Cl)=CC=C2OC2=CC=C(Cl)C=C2)C1	REAL300012022509	0	47	0.0	-62.50	402.44	12.15	-50.35
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022510	0	54	0.0	-57.71	417.58	11.54	-46.17
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(F)=CC=C2OC2=CC=C(Cl)C=C2)C1	REAL300012022511	0	47	0.0	-63.46	392.12	11.71	-51.75
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2OC2=CC(Cl)=CC(Cl)=C2)C1	REAL300012022512	0	47	0.0	-59.32	400.71	12.06	-47.26
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(F)=CC=C2OC2=CC=C(F)C=C2Cl)C1	REAL300012022513	0	47	0.0	-62.92	397.52	11.74	-51.18
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022514	0	51	0.0	-63.59	415.58	12.20	-51.39
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022515	0	52	0.0	-66.79	396.03	11.18	-55.61
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300012022516	0	42	0.0	-63.90	361.50	9.49	-54.41
COC1=CC=C(C2=NC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=CS2)C=C1	REAL300012022517	0	46	0.0	-64.06	374.22	8.29	-55.77
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022519	0	44	0.0	-69.68	357.18	4.80	-64.88
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022520	0	36	0.0	-69.08	313.92	7.49	-61.59
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022521	1	56	0.0	-62.01	399.26	10.48	-51.53
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OCCN3C=CN=C3)C(Cl)=C2)C1	REAL300012022522	0	50	0.0	-72.64	409.21	11.57	-61.07
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C1	REAL300012022523	0	42	0.0	-71.02	336.64	6.42	-64.60
CC1=NN2C(=NC(C)=C2C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300012022524	0	41	0.0	-65.67	334.80	7.37	-58.30
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300012022525	0	47	0.0	-65.04	376.79	8.67	-56.37
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C1	REAL300012022526	0	41	0.0	-54.16	334.20	9.13	-45.03
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C(F)(F)F)S2)C1	REAL300012022527	0	36	0.0	-67.88	310.79	8.48	-59.40
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(OCC2=CC=CN=C2)=C1	REAL300012022528	0	53	0.0	-62.36	414.14	9.03	-53.33
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=NC3=CC=C(Br)C=C3S2)C1	REAL300012022529	0	38	0.0	-64.70	333.42	8.25	-56.45
CN(C)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300012022530	0	47	0.0	-60.79	361.57	9.68	-51.11
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022531	0	46	0.0	-63.92	362.71	10.83	-53.09
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022532	0	45	0.0	-66.14	371.68	9.82	-56.32
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C1	REAL300012022533	0	55	0.0	-65.57	417.50	11.70	-53.87
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300012022534	0	39	0.0	-70.80	339.85	9.52	-61.28
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(C3=CC=CC=C3Br)N=N2)C1	REAL300012022535	0	42	0.0	-70.35	354.44	8.84	-61.51
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN3C=CC(Br)=CC3=N2)C1	REAL300012022536	0	39	0.0	-66.54	328.22	9.29	-57.25
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022537	0	47	0.0	-66.34	367.12	9.60	-56.74
COCC1=CC=CC=C1C=C(C)C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022538	0	50	0.0	-66.29	379.55	9.82	-56.47
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022539	0	46	0.0	-62.91	352.33	8.99	-53.92
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CON=C2CC2=CC=CC=C2)C1	REAL300012022540	0	45	0.0	-72.78	355.92	9.93	-62.85
COC1=CC=C(N2C=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)C=N2)C=C1	REAL300012022541	0	47	0.0	-70.77	368.77	8.71	-62.06
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022542	0	51	0.0	-62.51	401.58	11.58	-50.93
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C1	REAL300012022543	0	38	0.0	-71.17	319.86	6.18	-64.99
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(N3CCCCC3)C(Br)=C2)C1	REAL300012022544	0	51	0.0	-66.35	397.46	10.64	-55.71
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=NC=C2Br)C1	REAL300012022545	0	35	0.0	-63.40	291.24	7.01	-56.39
CS(=O)(=O)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300012022546	0	39	0.0	-74.13	333.01	4.86	-69.27
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(C3=CC=CC=C3)N(C3CCCC3)N=C2)C1	REAL300012022547	0	56	0.0	-61.09	423.58	12.15	-48.94
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=NN2C2=CC=CC=N2)C1	REAL300012022548	0	42	0.0	-61.22	332.09	8.86	-52.36
NS(=O)(=O)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300012022549	0	41	0.0	-73.03	340.27	3.18	-69.85
CC1=C(Br)C=NC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022550	0	38	0.0	-67.31	308.92	7.55	-59.76
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022551	0	39	0.0	-67.15	318.12	6.80	-60.35
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=NN2C2=CC=NC=C2)C1	REAL300012022552	0	42	0.0	-69.09	331.71	7.34	-61.75
COC1=CC=C(C2=CC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=CC3=C2OCO3)C=N1	REAL300012022553	0	52	0.0	-75.50	413.83	7.21	-68.29
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=NN2C2CCOCC2)C1	REAL300012022554	0	47	0.0	-70.83	356.10	6.80	-64.03
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(OC3=CC=C(F)C=C3)N=C3C=CC=CN32)C1	REAL300012022555	0	50	0.0	-69.95	399.47	11.34	-58.61
CN(C)C1=CC=C(C#N)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022556	0	45	0.0	-65.21	352.30	8.63	-56.58
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(CC3CCOC3)N=N2)C1	REAL300012022557	0	46	0.0	-71.63	354.59	5.58	-66.05
CC1=CC(C)=C(C=CC[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300012022558	0	49	0.0	-64.97	369.14	11.28	-53.69
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)C1	REAL300012022559	0	56	0.0	-66.31	419.96	7.04	-59.27
CC(C)(C)OC(=O)NC(C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1)CC(F)F	REAL300012022560	0	52	0.0	-73.51	387.04	7.00	-66.51
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(CC3CCCO3)N=N2)C1	REAL300012022561	0	46	0.0	-68.79	355.87	5.81	-62.98
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C1	REAL300012022562	0	41	0.0	-75.50	327.87	8.64	-66.86
CC1=CC(C)=C(C=CC[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300012022563	0	49	0.0	-64.49	368.06	11.24	-53.25
NS(=O)(=O)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022564	0	41	0.0	-75.72	334.16	3.14	-72.58
CN1C=CC(C2=NC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=CS2)=N1	REAL300012022565	0	42	0.0	-67.70	350.07	6.67	-61.03
CN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300012022566	0	49	0.0	-66.22	368.22	9.08	-57.14
CC1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1Br	REAL300012022567	0	39	0.0	-58.07	314.94	9.32	-48.75
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C1	REAL300012022568	0	47	0.0	-66.15	375.07	11.10	-55.05
CN(C)C(=O)C1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022569	0	46	0.0	-68.93	349.24	7.87	-61.06
CC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C2CCCCC2=N1	REAL300012022570	0	48	0.0	-67.35	352.53	9.36	-57.99
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2N2CCCCC2)C1	REAL300012022571	0	51	0.0	-57.45	375.91	10.23	-47.22
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CSC(C(F)(F)F)=N2)C1	REAL300012022572	0	35	0.0	-67.58	305.57	6.28	-61.30
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Br)=CC=C2Br)C1	REAL300012022573	0	36	0.0	-59.56	318.04	9.36	-50.20
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C(F)F)C(F)=C2)C1	REAL300012022574	0	39	0.0	-70.54	319.13	9.14	-61.40
COC(=O)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300012022575	0	45	0.0	-71.58	351.29	9.40	-62.18
CC1=C(Cl)C=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300012022576	0	39	0.0	-62.21	325.96	9.66	-52.55
CC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C(C)C=C1I	REAL300012022577	0	42	0.0	-64.67	340.62	10.44	-54.23
N#CC1=CC=C(Br)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022578	0	37	0.0	-65.88	316.70	9.16	-56.72
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022579	0	49	0.0	-59.77	382.87	9.75	-50.02
COC(=O)COC1=CC=CC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022580	0	46	0.0	-60.55	364.97	9.15	-51.40
CN(C)C(=O)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022581	0	46	0.0	-74.26	351.75	8.04	-66.22
CCNC(=O)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022582	0	46	0.0	-73.48	357.88	7.31	-66.17
COC1=CC=C2SC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=CC2=C1	REAL300012022583	0	43	0.0	-65.59	346.86	9.00	-56.59
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022584	0	52	0.0	-73.69	392.66	9.94	-63.75
CCN1CCC2=CC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300012022585	0	48	0.0	-64.38	359.82	8.81	-55.57
CCN(C)C(=O)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022586	0	49	0.0	-74.39	372.09	9.03	-65.36
CSC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300012022587	0	40	0.0	-68.66	335.16	9.65	-59.01
CC1=NN(C2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)C(C)=C2)C=C1	REAL300012022588	0	49	0.0	-70.37	375.62	10.59	-59.78
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300012022589	0	42	0.0	-69.18	351.13	10.06	-59.12
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022590	0	46	0.0	-70.09	371.43	10.44	-59.65
CCC1=CC(Br)=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300012022591	0	39	0.0	-57.28	332.97	9.40	-47.88
CC1=NN(C2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2)C=C1Cl	REAL300012022592	0	46	0.0	-71.04	376.84	10.47	-60.57
COC(=O)C1=CC2=C(C=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)O2)N1	REAL300012022593	0	43	0.0	-72.84	349.04	7.00	-65.84
CC(C)(C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300012022594	0	45	0.0	-64.69	349.29	10.50	-54.19
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Cl)=CC(Br)=C2)C1	REAL300012022595	0	36	0.0	-67.59	318.49	9.32	-58.27
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300012022596	0	52	0.0	-56.98	390.98	12.66	-44.32
COC1=CC=CC(C2=CSC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=N2)=C1	REAL300012022597	0	46	0.0	-65.48	373.04	8.26	-57.22
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022598	0	56	0.0	-68.58	427.83	8.64	-59.94
COC(=O)C1=C2COCCN2C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022599	0	48	0.0	-73.91	373.88	7.56	-66.35
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)C1	REAL300012022600	0	53	0.0	-73.53	396.05	10.15	-63.38
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022601	0	46	0.0	-70.98	351.78	11.12	-59.86
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C(F)(F)F)C(Cl)=C2Cl)C1	REAL300012022602	0	39	0.0	-69.84	342.68	10.04	-59.80
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)C1	REAL300012022603	0	40	0.0	-63.00	336.13	7.09	-55.91
NS(=O)(=O)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(Br)=C1	REAL300012022604	0	41	0.0	-70.94	350.94	3.71	-67.23
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN=C(C3CCOCC3)O2)C1	REAL300012022605	0	46	0.0	-67.72	352.20	4.62	-63.10
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Cl)C=CC=C2Br)C1	REAL300012022606	0	36	0.0	-53.87	312.06	9.08	-44.79
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(F)C(Br)=C2F)C1	REAL300012022607	0	36	0.0	-69.94	311.31	8.90	-61.04
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)C1	REAL300012022608	0	45	0.0	-70.39	358.61	8.55	-61.84
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300012022609	0	56	0.0	-70.11	403.63	9.20	-60.91
CC1=CC(Br)=CN=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022610	0	38	0.0	-62.87	312.47	7.52	-55.35
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)C1	REAL300012022611	0	42	0.0	-71.48	353.81	6.10	-65.38
CC1OC2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2C1C	REAL300012022612	0	47	0.0	-66.58	353.78	9.31	-57.27
CC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OC(F)F	REAL300012022613	0	43	0.0	-63.17	339.26	8.51	-54.66
CC1=NC(Cl)=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300012022614	0	38	0.0	-64.24	327.11	7.95	-56.29
CN1N=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1S(C)(=O)=O	REAL300012022615	0	42	0.0	-66.87	332.88	3.53	-63.34
CCOC1=CC(Br)=CC(F)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022616	0	43	0.0	-57.41	356.56	9.11	-48.30
CC1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)NN=C1C(F)(F)F	REAL300012022617	0	39	0.0	-73.29	315.50	6.05	-67.24
CS(=O)(=O)C1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=CS1	REAL300012022618	0	39	0.0	-64.85	320.23	5.10	-59.75
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2)O1	REAL300012022619	0	53	0.0	-71.48	428.81	10.38	-61.10
CC1=C(Br)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C(C)S1	REAL300012022620	0	39	0.0	-58.34	329.30	9.16	-49.18
CN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C2=CC=CC(F)=C2)=N1	REAL300012022621	0	46	0.0	-70.51	365.87	9.39	-61.12
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300012022622	0	40	0.0	-66.04	332.02	8.00	-58.04
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300012022623	0	42	0.0	-67.81	351.14	10.06	-57.75
CC1=NC=CN1C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300012022624	0	49	0.0	-72.22	373.60	11.13	-61.09
CC1=C(C)N(C2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2)C=N1	REAL300012022625	0	49	0.0	-73.34	379.76	11.87	-61.47
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C1	REAL300012022626	0	50	0.0	-62.98	375.41	12.23	-50.75
CCNC(=O)C1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022628	0	46	0.0	-68.42	357.90	7.30	-61.12
CC1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300012022629	0	42	0.0	-67.21	334.62	9.40	-57.81
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022630	0	46	0.0	-71.60	360.01	9.30	-62.30
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC3=C(Br)C=CC=C3S2)C1	REAL300012022631	0	39	0.0	-63.48	337.76	10.29	-53.19
CN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2Br)=N1	REAL300012022632	0	46	0.0	-67.34	378.80	10.03	-57.31
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=NN(CC(F)(F)F)C=C2)C1	REAL300012022633	0	39	0.0	-65.73	322.23	7.24	-58.49
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)C1	REAL300012022634	0	46	0.0	-62.15	348.74	10.09	-52.06
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CNN=C2C2=CC=CC(Br)=C2)C1	REAL300012022635	0	43	0.0	-65.70	358.08	8.67	-57.03
CN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300012022636	0	39	0.0	-66.21	316.71	6.95	-59.26
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(C(F)F)=C2F)C1	REAL300012022637	0	39	0.0	-64.99	316.28	9.07	-55.92
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022638	0	49	0.0	-72.62	395.05	10.99	-61.63
CCOC1=CC=C(Cl)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022639	0	43	0.0	-59.33	346.59	8.99	-50.34
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CNN=C2C2=CC=C(Br)C=C2)C1	REAL300012022640	0	43	0.0	-68.74	358.31	8.67	-60.07
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C1	REAL300012022641	0	43	0.0	-66.56	343.24	8.12	-58.44
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Br)C=CC=C2Br)C1	REAL300012022642	0	36	0.0	-53.46	316.62	9.18	-44.28
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Br)C=CC=C2OC(F)F)C1	REAL300012022643	0	40	0.0	-57.68	335.92	8.30	-49.38
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(C3CCCCC3)N=C2)C1	REAL300012022644	0	49	0.0	-65.18	365.12	9.25	-55.93
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)C1	REAL300012022645	0	43	0.0	-64.76	353.80	9.65	-55.11
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(F)C=C(Br)C=C2F)C1	REAL300012022646	0	36	0.0	-59.74	312.38	8.87	-50.87
CN(CCO)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300012022647	0	47	0.0	-66.83	360.03	5.77	-61.06
COC1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=CC=C1C(C)(C)C	REAL300012022648	0	52	0.0	-59.75	371.96	10.06	-49.69
CN1C=C(Br)N=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022649	0	36	0.0	-67.91	302.68	7.07	-60.84
CC(C)(OCC1=CC=CC=C1)C1=CC=C(F)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022650	0	59	0.0	-59.35	450.14	13.00	-46.35
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C1	REAL300012022651	0	42	0.0	-69.34	336.68	7.29	-62.05
CN1C(=O)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300012022652	0	45	0.0	-65.61	347.80	9.00	-56.61
CC1=CC(C)=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)=C1Br	REAL300012022653	0	45	0.0	-62.98	349.39	10.32	-52.66
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC=CC2=CC=C3OCOC3=C2)C1	REAL300012022654	0	43	0.0	-70.55	337.56	8.14	-62.41
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(CC3CCC3)C=C2)C1	REAL300012022655	0	49	0.0	-61.76	370.98	11.70	-50.06
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022656	0	46	0.0	-70.27	376.12	8.95	-61.32
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(F)C=CC(Cl)=C2F)C1	REAL300012022657	0	36	0.0	-59.81	307.26	8.75	-51.06
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022658	0	53	0.0	-69.67	402.02	8.42	-61.25
CC1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300012022659	0	39	0.0	-60.78	318.84	7.96	-52.82
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300012022660	0	42	0.0	-69.08	343.44	8.98	-60.10
CN1C=C(C2=NNC=C2C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300012022661	0	43	0.0	-68.14	341.00	5.88	-62.26
CCCN1N=C(C)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300012022662	0	45	0.0	-61.84	361.93	8.47	-53.37
CC(C)(C#N)C1=NC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300012022663	0	42	0.0	-71.73	346.57	7.61	-64.12
COC1=CC=C(Br)C(F)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022664	0	40	0.0	-58.09	333.98	8.16	-49.93
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(F)C=C(C(F)(F)F)C=C2Br)C1	REAL300012022665	0	39	0.0	-59.61	342.07	9.68	-49.93
N#CC1=CC(F)=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(Br)=C1	REAL300012022666	0	37	0.0	-63.23	324.10	9.07	-54.16
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C1	REAL300012022667	0	43	0.0	-65.03	345.50	10.61	-54.42
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C1	REAL300012022668	0	42	0.0	-66.55	338.09	10.84	-55.71
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(Cl)C(Br)=C2F)C1	REAL300012022669	0	36	0.0	-68.88	320.43	9.31	-59.57
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2OC2CCCCC2)C1	REAL300012022670	0	53	0.0	-57.34	390.00	11.03	-46.31
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300012022671	0	47	0.0	-66.66	385.36	11.54	-55.12
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2COC2CCCCC2)C1	REAL300012022672	0	56	0.0	-63.41	410.12	11.68	-51.73
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2OCC2=CC=C(Cl)C=C2)C1	REAL300012022673	0	50	0.0	-60.18	407.10	12.07	-48.11
COC1=CC=CC(OC2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2)=C1	REAL300012022674	0	51	0.0	-71.02	399.83	10.41	-60.61
CCN1CCCC2=CC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300012022675	0	51	0.0	-63.13	369.74	9.35	-53.78
COCC1=CN=C(OC)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022676	0	46	0.0	-62.60	359.81	4.71	-57.89
CN1N=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1Br	REAL300012022677	0	36	0.0	-61.83	302.69	6.39	-55.44
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022678	0	51	0.0	-71.23	398.83	10.96	-60.27
COC1=C(Br)C=CC(F)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022679	0	40	0.0	-59.02	335.28	8.24	-50.78
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)C1	REAL300012022680	0	49	0.0	-67.81	389.66	12.91	-54.90
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Br)C=CC=C2OC(F)(F)F)C1	REAL300012022681	0	40	0.0	-55.64	343.22	8.55	-47.09
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C1	REAL300012022682	0	40	0.0	-67.91	336.33	9.64	-58.27
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(OCC3=CC=C(Cl)C=C3)=C2)C1	REAL300012022683	0	50	0.0	-65.19	407.93	11.98	-53.21
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)C1	REAL300012022684	0	49	0.0	-67.51	373.65	8.88	-58.63
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(Br)C=C2OC(F)F)C1	REAL300012022685	0	40	0.0	-67.12	339.12	8.44	-58.68
CC1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)SC2=CC(F)=CC=C12	REAL300012022686	0	42	0.0	-65.54	340.62	10.27	-55.27
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C1	REAL300012022687	0	42	0.0	-74.44	335.07	6.36	-68.08
COC1=CC=C(F)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1OC	REAL300012022688	0	44	0.0	-58.49	346.31	7.54	-50.95
COC1=CC(OC)=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C2=NC(Cl)=CC=C12	REAL300012022689	0	49	0.0	-54.91	393.59	7.91	-47.00
CN1C=CC(C2=NNC=C2C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300012022690	0	43	0.0	-61.01	340.22	6.24	-54.77
CC1=CC=C(F)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1Br	REAL300012022691	0	39	0.0	-54.91	321.51	9.26	-45.65
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2OCCC2CCCCC2)C1	REAL300012022692	0	59	0.0	-57.89	432.66	12.50	-45.39
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(OCC3CCC3)=C2)C1	REAL300012022693	0	50	0.0	-63.34	379.47	10.53	-52.81
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OCCO	REAL300012022694	0	48	0.0	-71.45	371.90	5.22	-66.23
COC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1OCCO	REAL300012022695	0	48	0.0	-71.52	371.90	5.22	-66.30
CN1C=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C2=CC=NN2C)=N1	REAL300012022696	0	46	0.0	-68.88	364.43	7.14	-61.74
COC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1OCC1CCCO1	REAL300012022697	0	55	0.0	-71.31	417.61	8.81	-62.50
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C1	REAL300012022698	0	39	0.0	-65.96	313.86	9.27	-56.69
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)C1	REAL300012022699	0	43	0.0	-58.66	354.82	8.95	-49.71
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CN=C(C(F)F)S3)C=C2)C1	REAL300012022700	0	45	0.0	-70.92	376.64	9.95	-60.97
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Br)C=CC3=C2OCO3)C1	REAL300012022701	0	39	0.0	-56.85	324.05	7.33	-49.52
CS(=O)(=O)C1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)SC=C1	REAL300012022702	0	39	0.0	-69.11	322.32	4.84	-64.27
CS(=O)(=O)C1=COC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022703	0	39	0.0	-73.98	324.26	3.77	-70.21
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C1	REAL300012022704	0	39	0.0	-66.93	324.77	9.23	-57.70
CC(C)OC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300012022705	0	46	0.0	-70.17	355.44	9.11	-61.06
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(F)C(Cl)=C2F)C1	REAL300012022706	0	36	0.0	-69.88	307.05	8.80	-61.08
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C1	REAL300012022707	0	42	0.0	-62.48	331.00	10.46	-52.02
CS(=O)(=O)C1=CSC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022708	0	39	0.0	-71.74	332.70	4.80	-66.94
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)C1	REAL300012022709	0	43	0.0	-68.59	356.02	9.93	-58.66
CC1=NN(C2CCCC2)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022710	0	49	0.0	-68.04	368.04	9.25	-58.79
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Br)C=C(C(F)(F)F)S2)C1	REAL300012022711	0	36	0.0	-62.81	330.24	9.02	-53.79
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(Br)C=C2OC2CC2)C1	REAL300012022712	0	44	0.0	-61.37	360.93	9.84	-51.53
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022713	0	46	0.0	-66.57	359.33	8.87	-57.70
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)C1	REAL300012022714	0	39	0.0	-65.04	321.55	9.65	-55.39
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(F)C=CC(Br)=C2Cl)C1	REAL300012022715	0	36	0.0	-58.23	319.21	9.19	-49.04
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C1	REAL300012022716	0	43	0.0	-69.10	345.70	9.47	-59.63
COC1=NC(C)=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)=C1Cl	REAL300012022717	0	45	0.0	-69.86	355.58	6.38	-63.48
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022718	0	45	0.0	-66.88	354.84	8.49	-58.39
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022719	0	52	0.0	-64.81	384.17	9.82	-54.99
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CN(C3CCOCC3)N=C2)C1	REAL300012022720	0	47	0.0	-66.13	355.88	6.84	-59.29
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022721	0	50	0.0	-65.89	375.78	7.35	-58.54
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Br)=CC3=CC=CN=C32)C1	REAL300012022722	0	41	0.0	-58.95	341.01	9.30	-49.65
NS(=O)(=O)C1=CSC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022723	0	38	0.0	-71.27	326.27	2.21	-69.06
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=NC=C(Cl)C=C2Cl)C1	REAL300012022724	0	35	0.0	-58.34	305.78	7.26	-51.08
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300012022725	0	51	0.0	-75.12	385.94	7.66	-67.46
CC1=NN(C2CCCC2)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022726	0	49	0.0	-64.84	365.25	9.22	-55.62
CC1=CC(Br)=C(F)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022727	0	39	0.0	-64.55	326.98	9.50	-55.05
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(Br)C(Cl)=C2F)C1	REAL300012022728	0	36	0.0	-68.86	320.58	9.32	-59.54
COC1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1Br	REAL300012022729	0	40	0.0	-60.41	325.30	8.10	-52.31
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(Cl)C(F)=C2F)C1	REAL300012022730	0	36	0.0	-70.21	307.48	8.81	-61.40
CN1C=C(C2=CC=CC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=C2)C=N1	REAL300012022731	0	46	0.0	-67.48	360.05	9.47	-58.01
COC1=CC(F)=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300012022732	0	40	0.0	-64.32	334.86	8.21	-56.11
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)C1	REAL300012022733	0	46	0.0	-84.16	367.02	10.61	-73.55
CC1=CC=C(Br)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022734	0	39	0.0	-63.93	317.17	9.37	-54.56
COC1=NC2=CC=C(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2S1	REAL300012022735	0	42	0.0	-71.58	344.86	6.02	-65.56
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=NC(Br)=C2)C1	REAL300012022736	0	35	0.0	-71.07	296.27	6.91	-64.16
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(F)=CC(Cl)=C2Cl)C1	REAL300012022737	0	36	0.0	-63.88	314.74	9.17	-54.71
CC(C)(C)COC1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022738	0	52	0.0	-62.92	391.71	10.52	-52.40
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Br)=CC(Cl)=C2F)C1	REAL300012022739	0	36	0.0	-65.07	323.50	9.33	-55.74
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)C1	REAL300012022740	0	39	0.0	-70.57	332.05	9.55	-61.02
CN1N=CC=C1C1=NNC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022741	0	43	0.0	-69.46	341.87	5.85	-63.61
COC(=O)C1=C(C)NC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1C	REAL300012022742	0	46	0.0	-72.00	363.18	7.95	-64.05
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+][C@H]3CCC[C@@H](C(=O)[O-])C3)=CC=C2C1	REAL300012022743	0	60	0.0	-68.87	446.36	11.40	-57.47
CC1=CC(Br)=CC(C)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022744	0	42	0.0	-64.15	334.38	9.85	-54.30
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(O)C=CC(F)=C2Br)C1	REAL300012022745	0	37	0.0	-61.08	313.91	5.93	-55.15
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Cl)C=CC3=C2OCO3)C1	REAL300012022746	0	39	0.0	-57.51	320.02	7.24	-50.27
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300012022747	0	52	0.0	-61.82	381.78	11.99	-49.83
CC1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)SC(Br)=C1	REAL300012022748	0	36	0.0	-63.37	310.34	8.59	-54.78
CC1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=NN1CC(F)F	REAL300012022749	0	42	0.0	-70.00	336.26	7.56	-62.44
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C1	REAL300012022750	0	44	0.0	-71.03	349.65	8.55	-62.48
CCCN1N=C(C)C(Cl)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022751	0	45	0.0	-65.32	362.31	8.45	-56.87
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022752	0	48	0.0	-68.39	378.60	10.29	-58.10
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022753	0	43	0.0	-72.81	343.78	7.46	-65.35
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C1	REAL300012022754	0	49	0.0	-63.34	382.73	12.64	-50.70
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Cl)=CC(Cl)=C2Br)C1	REAL300012022755	0	36	0.0	-62.32	328.29	9.69	-52.63
CCCCC(=O)NC1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300012022756	0	52	0.0	-68.19	399.33	9.45	-58.74
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CSC(Br)=C2Br)C1	REAL300012022757	0	33	0.0	-61.91	308.66	8.38	-53.53
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(Br)=C2Br)C1	REAL300012022758	0	36	0.0	-62.00	315.70	9.29	-52.71
CCN(C)C1=CC=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300012022759	0	50	0.0	-60.86	369.15	10.11	-50.75
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Cl)=CN=C2Br)C1	REAL300012022760	0	35	0.0	-63.83	307.20	7.37	-56.46
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(Cl)C(Cl)=CS2)C1	REAL300012022761	0	33	0.0	-61.38	301.38	8.21	-53.17
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022762	0	57	0.0	-62.45	406.15	10.19	-52.26
COC1=CC(C)=CC(OC)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022763	0	47	0.0	-54.12	358.18	7.58	-46.54
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C1	REAL300012022764	0	40	0.0	-70.70	341.96	8.53	-62.17
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C1	REAL300012022765	0	46	0.0	-68.71	369.02	11.03	-57.68
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C1	REAL300012022766	0	45	0.0	-68.47	349.34	9.85	-58.62
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300012022767	0	58	0.0	-65.70	438.78	13.09	-52.61
CC1=CC=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1C(F)(F)F	REAL300012022768	0	42	0.0	-61.11	325.43	9.80	-51.31
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(C(F)(F)F)C=C2Br)C1	REAL300012022769	0	39	0.0	-64.54	335.49	9.74	-54.80
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC3=NC=C(Br)C=C3O2)C1	REAL300012022770	0	38	0.0	-70.26	324.40	7.51	-62.75
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)C1	REAL300012022771	0	41	0.0	-67.38	346.22	8.54	-58.84
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC3=C(CCOC3)N=C2Cl)C1	REAL300012022772	0	43	0.0	-66.50	340.83	6.82	-59.68
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC3=CC(Br)=CC=C3S2)C1	REAL300012022773	0	39	0.0	-65.58	338.59	10.33	-55.25
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022774	0	49	0.0	-66.65	381.15	10.78	-55.87
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(Br)C=C2Br)C1	REAL300012022775	0	36	0.0	-62.00	318.05	9.36	-52.64
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Br)=CC(F)=C2F)C1	REAL300012022776	0	36	0.0	-65.90	313.61	8.89	-57.01
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Cl)=C(Br)C=C2F)C1	REAL300012022777	0	36	0.0	-65.96	321.07	9.32	-56.64
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)C1	REAL300012022778	0	38	0.0	-76.64	329.96	9.48	-67.16
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022779	0	43	0.0	-68.03	340.95	10.11	-57.92
COC1=C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)C=CC(Br)=C1F	REAL300012022780	0	40	0.0	-69.14	338.05	8.37	-60.77
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC(C(F)(F)F)=C2F)C1	REAL300012022781	0	39	0.0	-67.30	323.94	9.22	-58.08
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C1	REAL300012022782	0	42	0.0	-76.64	332.30	8.09	-68.55
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022783	0	54	0.0	-64.48	405.12	9.82	-54.66
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)C1	REAL300012022784	0	42	0.0	-67.97	344.47	10.95	-57.02
COC1=C2C=CNC2=CC=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022785	0	44	0.0	-61.51	341.96	7.67	-53.84
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C1	REAL300012022786	0	49	0.0	-65.89	369.47	5.33	-60.56
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=C(CN3C=C(Br)C=N3)C=C2)C1	REAL300012022787	0	46	0.0	-66.15	385.40	10.45	-55.70
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=C(F)C=C(I)C=C2F)C1	REAL300012022788	0	36	0.0	-59.76	318.86	9.35	-50.41
COC1=CC=C(OC)C(OC)=C1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300012022789	0	48	0.0	-57.21	368.75	6.82	-50.39
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)C1	REAL300012022790	0	53	0.0	-55.46	388.28	10.02	-45.44
O=C([O-])[C@@H]1CCC[C@H]([NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)C1	REAL300012022791	0	50	0.0	-61.86	393.50	11.69	-50.17
CC1=CC(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=CN=C1N1C=CC=N1	REAL300012022792	0	45	0.0	-73.41	352.60	9.54	-63.87
COC1=CC=C(Br)C(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1O	REAL300012022793	0	41	0.0	-58.85	337.45	5.87	-52.98
CC1=C(C[NH2+]CC2=CC=C(C)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012022794	0	42	0.0	-43.53	341.61	10.28	-33.25
CC1=C(C[NH2+]CC2=CC(C)=CC=C2C)C(C(=O)[O-])=C(C)S1	REAL300012022795	0	42	0.0	-43.21	341.00	10.34	-32.87
CC1=C(C[NH2+]CC2=CC3=CC=CN=C3C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022796	0	41	0.0	-53.34	345.88	9.42	-43.92
CC1=C(C[NH2+]CC2=CC=C(C(C)(C)C)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022797	0	48	0.0	-44.78	382.18	11.41	-33.37
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012022798	0	43	0.0	-50.89	361.11	8.91	-41.98
CC1=C(C[NH2+]CC2=CC=C(Br)O2)C(C(=O)[O-])=C(C)S1	REAL300012022799	0	33	0.0	-43.39	308.45	7.96	-35.43
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012022800	0	46	0.0	-51.20	383.23	10.86	-40.34
CC1=C(C[NH2+]CC2=CN(CCC#N)N=C2C2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012022801	0	50	0.0	-56.89	426.45	11.58	-45.31
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1OC(F)F	REAL300012022802	0	44	0.0	-52.55	373.26	8.53	-44.02
CCOC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1OC	REAL300012022803	0	47	0.0	-50.50	385.36	9.17	-41.33
CC1=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012022804	0	50	0.0	-46.33	414.62	12.41	-33.92
CCCCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012022805	0	52	0.0	-47.61	421.84	11.68	-35.93
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)C(C(=O)[O-])=C(C)S1	REAL300012022806	0	45	0.0	-48.48	394.44	11.64	-36.84
CC1=C(C[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)C(C(=O)[O-])=C(C)S1	REAL300012022807	0	45	0.0	-50.12	394.43	11.65	-38.47
CC1=C(C[NH2+]CC2=C(C)C(C)=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012022808	0	42	0.0	-43.28	337.25	10.25	-33.03
CC1=C(C[NH2+]CC2=CC=C(C)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022809	0	42	0.0	-44.62	343.16	10.26	-34.36
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1Br	REAL300012022810	0	40	0.0	-52.08	354.67	9.01	-43.07
CC1=C(C[NH2+]CC2=CC=CC=C2OC(C)C)C(C(=O)[O-])=C(C)S1	REAL300012022811	0	46	0.0	-45.29	372.67	9.98	-35.31
CCCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OC	REAL300012022812	0	53	0.0	-50.54	428.35	10.75	-39.79
CCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OC	REAL300012022813	0	50	0.0	-50.56	406.85	9.97	-40.59
C=CCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OC	REAL300012022814	0	48	0.0	-49.42	398.26	9.75	-39.67
CC1=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)C(C(=O)[O-])=C(C)S1	REAL300012022815	0	43	0.0	-44.76	382.97	11.49	-33.27
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)C(C(=O)[O-])=C(C)S1	REAL300012022816	0	43	0.0	-50.70	381.87	11.49	-39.21
CC1=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)C(C(=O)[O-])=C(C)S1	REAL300012022817	0	43	0.0	-48.82	389.35	12.34	-36.48
CC1=C(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012022818	0	46	0.0	-46.45	389.00	10.72	-35.73
CCC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300012022819	0	45	0.0	-47.35	369.87	11.01	-36.34
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)C(C(=O)[O-])=C(C)S1	REAL300012022820	0	45	0.0	-47.52	390.32	12.26	-35.26
CC1=C(C[NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)C(C(=O)[O-])=C(C)S1	REAL300012022821	1	42	0.0	-50.67	376.03	9.89	-40.78
CC1=C(C[NH2+]CC2=CC=CC=C2OC(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012022822	0	40	0.0	-50.15	349.39	8.92	-41.23
CC1=C(C[NH2+]CC2=CC=C(SC(F)(F)F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022823	0	40	0.0	-47.04	362.38	10.55	-36.49
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012022824	0	43	0.0	-61.38	362.29	6.94	-54.44
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(Cl)=C1	REAL300012022825	0	40	0.0	-49.99	346.93	8.78	-41.21
CC1=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022826	0	40	0.0	-47.69	351.98	8.88	-38.81
CC1=C(C[NH2+]CC2=CC=CC(C#N)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022827	0	37	0.0	-55.79	325.60	9.44	-46.35
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022828	0	43	0.0	-45.29	367.59	8.98	-36.31
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=C(C)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022829	0	46	0.0	-50.47	382.51	9.56	-40.91
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=CS2)C(C(=O)[O-])=C(C)S1	REAL300012022830	0	40	0.0	-48.71	342.78	8.01	-40.70
COC1=CC=C(C2=NNC=C2C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012022831	0	47	0.0	-52.71	390.57	8.19	-44.52
CC1=C(C[NH2+]CC2=CSC3=CC=CC=C23)C(C(=O)[O-])=C(C)S1	REAL300012022832	0	39	0.0	-46.59	341.65	10.43	-36.16
CCOC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C)=NN1CC(C)C	REAL300012022833	0	55	0.0	-45.91	430.91	9.14	-36.77
CC1=C(C[NH2+]CC2=CC3=CC=CC=C3OC2)C(C(=O)[O-])=C(C)S1	REAL300012022834	0	42	0.0	-47.92	350.82	9.54	-38.38
CC1=C(C[NH2+]CC2=CC=C(C3=CC=C(C)C=C3)O2)C(C(=O)[O-])=C(C)S1	REAL300012022835	0	46	0.0	-44.20	387.65	11.65	-32.55
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])O1	REAL300012022836	0	43	0.0	-41.62	361.12	8.02	-33.60
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=CN=C2)C(C(=O)[O-])=C(C)S1	REAL300012022837	0	42	0.0	-42.63	356.07	7.12	-35.51
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012022838	0	49	0.0	-57.13	405.58	8.06	-49.07
CC1=C(C[NH2+]CC2=CC=C(OCC3CCCO3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022839	0	51	0.0	-50.83	413.07	9.66	-41.17
CC1=C(C[NH2+]CC2=CC=C(Cl)S2)C(C(=O)[O-])=C(C)S1	REAL300012022840	0	33	0.0	-43.71	312.02	8.78	-34.93
CC1=C(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)C(C(=O)[O-])=C(C)S1	REAL300012022841	0	43	0.0	-49.28	379.03	11.89	-37.39
CC1=C(C[NH2+]CC2=CC=CC3=CC=CN=C32)C(C(=O)[O-])=C(C)S1	REAL300012022842	0	41	0.0	-49.05	344.54	9.59	-39.46
CC1=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)C(C(=O)[O-])=C(C)S1	REAL300012022843	0	49	0.0	-44.08	403.36	10.58	-33.50
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012022844	0	45	0.0	-42.83	375.63	8.06	-34.77
CC1=C(C[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022845	0	43	0.0	-54.90	363.11	10.26	-44.64
CC1=C(C[NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022846	0	42	0.0	-57.34	359.27	11.61	-45.73
CC1=C(C[NH2+]CC2=C(Cl)N=C3C(=C2)C=NN3C(C)C)C(C(=O)[O-])=C(C)S1	REAL300012022847	0	47	0.0	-44.15	403.58	10.16	-33.99
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)C(C(=O)[O-])=C(C)S1	REAL300012022848	0	43	0.0	-44.93	390.77	12.39	-32.54
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)C(C(=O)[O-])=C(C)S1	REAL300012022849	0	43	0.0	-45.99	383.21	12.04	-33.95
CC1=C(C[NH2+]CC2=CC(F)=CC=C2F)C(C(=O)[O-])=C(C)S1	REAL300012022850	0	36	0.0	-48.23	316.73	9.15	-39.08
CC1=C(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012022851	0	39	0.0	-41.84	355.66	10.54	-31.30
CC1=C(C[NH2+]CC2=CC=C(F)C=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012022852	0	36	0.0	-50.25	323.86	9.56	-40.69
CC1=C(C[NH2+]CC2=CC=C(F)C(Cl)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022853	0	36	0.0	-48.46	327.35	9.61	-38.85
CC1=C(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022854	0	39	0.0	-56.15	349.08	10.10	-46.05
CCOC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012022855	0	43	0.0	-48.52	356.12	9.28	-39.24
CC1=C(C[NH2+]CC2=CC=C(C)C(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022856	0	39	0.0	-45.21	331.48	9.76	-35.45
CC1=C(C[NH2+]CC2=CC(Cl)=CC=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012022857	0	36	0.0	-45.56	334.18	10.01	-35.55
CC1=C(C[NH2+]CC2=CC=C(F)C=C2C(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012022858	0	39	0.0	-45.34	339.69	10.19	-35.15
CC1=C(C[NH2+]CC2=CC(F)=C(F)C(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022859	0	36	0.0	-54.80	323.76	9.24	-45.56
CC1=C(C[NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022860	0	39	0.0	-51.28	349.89	10.11	-41.17
CC1=C(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2F)C(C(=O)[O-])=C(C)S1	REAL300012022861	0	39	0.0	-43.77	348.33	10.11	-33.66
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(Cl)=C1OC	REAL300012022862	0	44	0.0	-53.76	379.39	8.83	-44.93
CC1=C(C[NH2+]CC2=CC3=CC=CC=C3S2)C(C(=O)[O-])=C(C)S1	REAL300012022863	0	39	0.0	-43.72	343.39	10.63	-33.09
CC1=C(C[NH2+]CC2=CC=C(Cl)C(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022864	0	36	0.0	-48.58	327.35	9.62	-38.96
CC1=C(C[NH2+]CC2=CC(Cl)=CC=C2OC(F)F)C(C(=O)[O-])=C(C)S1	REAL300012022865	0	40	0.0	-45.66	359.38	9.21	-36.45
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C(C(=O)[O-])=C(C)S1	REAL300012022866	0	43	0.0	-43.68	389.33	12.34	-31.34
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012022867	0	46	0.0	-48.19	387.03	7.59	-40.60
CC1=C(C[NH2+]CC2=CC=CN=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012022868	0	35	0.0	-40.07	311.68	7.68	-32.39
CC1=C(C[NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022869	0	49	0.0	-51.45	410.90	10.57	-40.88
CC1=C(C[NH2+]CC2=CN(C)N=C2C(C)C)C(C(=O)[O-])=C(C)S1	REAL300012022870	0	45	0.0	-49.15	369.96	8.69	-40.46
CC1=C(C[NH2+]CC2=C(Cl)N(C)N=C2C(C)C)C(C(=O)[O-])=C(C)S1	REAL300012022871	0	45	0.0	-41.70	384.86	9.00	-32.70
COCCOC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012022872	0	47	0.0	-50.51	389.73	8.55	-41.96
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1Cl	REAL300012022873	0	40	0.0	-52.11	350.28	8.90	-43.21
CC1=C(C[NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C(C(=O)[O-])=C(C)S1	REAL300012022874	1	41	0.0	-56.13	365.04	7.96	-48.17
CC1=C(C[NH2+]CC2=NC3=CC=CC=C3N2C(C)C)C(C(=O)[O-])=C(C)S1	REAL300012022875	0	48	0.0	-54.63	386.13	10.62	-44.01
CC1=C(C[NH2+]CC2=CC=C(NC(=O)OC(C)(C)C)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012022876	0	52	0.0	-50.21	422.87	8.98	-41.23
CC1=C(C[NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022877	0	43	0.0	-51.39	375.68	9.74	-41.65
CC1=C(C[NH2+]CC2=CC=CC3=C2OCCO3)C(C(=O)[O-])=C(C)S1	REAL300012022878	0	42	0.0	-47.87	347.65	8.27	-39.60
CC1=C(C[NH2+]CC2=CC=CC3=C2OCCCO3)C(C(=O)[O-])=C(C)S1	REAL300012022879	0	45	0.0	-48.98	364.56	9.07	-39.91
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012022880	0	48	0.0	-41.99	396.57	11.11	-30.88
CCCOC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012022881	0	46	0.0	-48.38	377.60	10.08	-38.30
CC1=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C(C(=O)[O-])=C(C)S1	REAL300012022882	0	43	0.0	-44.95	372.04	11.67	-33.28
CC1=C(C[NH2+]CC2=CC=CC(OC3CCCC3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022883	0	50	0.0	-48.17	399.48	11.27	-36.90
CC1=C(C[NH2+]CC2=CC=CC(OC(C)C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022884	0	46	0.0	-48.33	374.03	9.90	-38.43
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CC3=CC=CC=C3O2)C(C(=O)[O-])=C(C)S1	REAL300012022885	0	49	0.0	-51.77	407.70	10.91	-40.86
CC1=C(C[NH2+]CC2=CSC(C3=CC=C(C)C=C3)=N2)C(C(=O)[O-])=C(C)S1	REAL300012022886	1	45	0.0	-50.16	391.03	10.50	-39.66
CC1=C(C[NH2+]CC2=CSC(C(C)C)=N2)C(C(=O)[O-])=C(C)S1	REAL300012022887	1	41	0.0	-39.65	353.77	8.13	-31.52
CC1=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022888	0	50	0.0	-48.93	419.74	12.50	-36.43
CC1=C(C[NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)C(C(=O)[O-])=C(C)S1	REAL300012022889	1	46	0.0	-52.81	401.21	9.35	-43.46
CC1=C(C[NH2+]CC2=CSC(C(C)(C)C)=N2)C(C(=O)[O-])=C(C)S1	REAL300012022890	1	44	0.0	-47.81	371.48	8.59	-39.22
CC1=C(C[NH2+]CC2=CSC(C3=CSC=C3)=N2)C(C(=O)[O-])=C(C)S1	REAL300012022891	1	39	0.0	-49.84	360.66	8.77	-41.07
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C(C(=O)[O-])=C(C)S1	REAL300012022892	0	43	0.0	-44.22	379.01	11.90	-32.32
CC1=C(C[NH2+]CC2=CC=CC=C2OCC(=O)N(C)C)C(C(=O)[O-])=C(C)S1	REAL300012022893	0	50	0.0	-58.77	411.83	9.94	-48.83
CC1=C(C[NH2+]CC2=CC=CC=C2OC2CCCC2)C(C(=O)[O-])=C(C)S1	REAL300012022894	0	50	0.0	-45.25	398.45	11.33	-33.92
CC1=C(C[NH2+]CC2=CC=C(C3=CC=C(C)C=C3)S2)C(C(=O)[O-])=C(C)S1	REAL300012022895	0	46	0.0	-48.35	394.03	12.49	-35.86
CC1=C(C[NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C(C(=O)[O-])=C(C)S1	REAL300012022896	0	42	0.0	-49.55	370.85	9.36	-40.19
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012022897	0	40	0.0	-48.66	367.00	9.49	-39.17
CC1=C(C[NH2+]CC2=CC(Br)=CC=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012022898	0	36	0.0	-45.36	338.75	10.11	-35.25
CC1=C(C[NH2+]CC2=CC(Cl)=CC=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012022899	0	36	0.0	-44.72	337.76	10.11	-34.61
CCOC1=C(OC)C=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OC	REAL300012022900	0	51	0.0	-52.49	418.51	9.11	-43.38
COCCCOC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012022901	0	50	0.0	-50.42	411.29	9.15	-41.27
CC1=C(C[NH2+]CC2=CN=C(Cl)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022902	0	38	0.0	-53.41	335.26	8.28	-45.13
COC1=CC=C(OC(F)F)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012022903	0	44	0.0	-45.75	372.12	7.97	-37.78
CC1=C(C[NH2+]CC2=C(Cl)C=CC=C2OC(F)F)C(C(=O)[O-])=C(C)S1	REAL300012022904	0	40	0.0	-44.17	356.72	9.10	-35.07
CC1=C(C[NH2+]CC2=CC=C(OC3=CC=CN=C3)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022905	0	49	0.0	-50.71	407.91	10.76	-39.95
CC1=C(C[NH2+]CC2=CN=C(C3=CC=C(C)C=C3)S2)C(C(=O)[O-])=C(C)S1	REAL300012022906	0	45	0.0	-47.17	392.43	10.79	-36.38
CC1=C(C[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C(C(=O)[O-])=C(C)S1	REAL300012022907	0	41	0.0	-46.50	361.22	10.10	-36.40
CC1=C(C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)C(C(=O)[O-])=C(C)S1	REAL300012022908	0	41	0.0	-50.33	350.15	9.63	-40.70
CC1=C(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)C(C(=O)[O-])=C(C)S1	REAL300012022909	0	41	0.0	-47.24	350.98	9.65	-37.59
CC1=C(C[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C(C(=O)[O-])=C(C)S1	REAL300012022910	0	41	0.0	-49.81	358.97	10.02	-39.79
CC1=C(C[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)C(C(=O)[O-])=C(C)S1	REAL300012022911	0	43	0.0	-45.82	380.73	11.14	-34.68
CC1=C(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3C)O2)C(C(=O)[O-])=C(C)S1	REAL300012022912	0	46	0.0	-44.84	393.11	11.73	-33.11
CCC1=CC=C(C2=CC=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])O2)C=C1	REAL300012022913	0	49	0.0	-43.83	407.88	12.39	-31.44
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(OC(F)F)=C1	REAL300012022914	0	44	0.0	-50.53	372.12	7.99	-42.54
COC1=CC=C2OC(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])=CC2=C1	REAL300012022915	0	43	0.0	-51.47	362.13	8.85	-42.62
CC1=C(C[NH2+]CC=CC2=CC=C(Cl)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022916	0	40	0.0	-48.14	353.75	10.91	-37.23
CC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300012022917	0	42	0.0	-49.28	352.16	10.17	-39.11
CC1=C(C[NH2+]CC2=COC3=CC=CC=C23)C(C(=O)[O-])=C(C)S1	REAL300012022918	0	39	0.0	-49.52	332.67	9.43	-40.09
CC1=C(C[NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C(C(=O)[O-])=C(C)S1	REAL300012022919	0	44	0.0	-51.09	371.54	10.81	-40.28
CC1=C(C[NH2+]CC2=CC=C(C)C(Br)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022920	0	39	0.0	-44.29	344.25	10.24	-34.05
CC1=C(C[NH2+]CC=CC2=CC=C(F)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012022921	0	40	0.0	-51.70	348.94	10.49	-41.21
CC1=C(C[NH2+]CC2=CC=C(Br)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022922	0	39	0.0	-47.38	344.25	10.24	-37.14
CC1=C(C[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022923	1	43	0.0	-51.90	363.67	10.16	-41.74
CC1=C(C[NH2+]CC2=C(Cl)SC=C2)C(C(=O)[O-])=C(C)S1	REAL300012022924	0	33	0.0	-38.43	308.98	8.60	-29.83
CC1=C(C[NH2+]CC2=CC(Cl)=CC3=C2OCC3)C(C(=O)[O-])=C(C)S1	REAL300012022925	0	41	0.0	-46.17	357.24	9.41	-36.76
CC1=C(C[NH2+]CC2=CC3=C(F)C=CC=C3N2)C(C(=O)[O-])=C(C)S1	REAL300012022926	0	40	0.0	-52.95	343.17	9.05	-43.90
CC1=C(C[NH2+]CC2=CC3=CC=C(F)C=C3N2)C(C(=O)[O-])=C(C)S1	REAL300012022927	0	40	0.0	-49.75	343.05	9.06	-40.69
CCOC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=N1	REAL300012022928	0	42	0.0	-41.67	355.03	6.69	-34.98
CC1=C(C[NH2+]CC2=CC3=CC=CN=C3C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022929	0	44	0.0	-49.42	366.00	10.25	-39.17
CC1=C(C[NH2+]CC2=CC=C(Cl)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022930	0	39	0.0	-47.40	340.22	10.15	-37.25
CC1=C(C[NH2+]CC2=CN=C3C=CSC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012022931	0	38	0.0	-50.16	336.63	8.53	-41.63
CC1=C(C[NH2+]CC2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)C(C(=O)[O-])=C(C)S1	REAL300012022932	0	55	0.0	-43.79	442.36	13.30	-30.49
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012022933	0	56	0.0	-42.52	423.62	12.18	-30.34
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012022934	0	56	0.0	-41.81	443.32	12.07	-29.74
CCCC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012022935	0	45	0.0	-44.67	369.13	11.26	-33.41
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012022936	0	54	0.0	-47.63	440.83	13.86	-33.77
CCN(CC)C1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1F	REAL300012022937	0	50	0.0	-51.82	405.22	10.22	-41.60
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C(SC)C=C1OC	REAL300012022938	0	48	0.0	-48.07	399.10	9.19	-38.88
COC1=CC=C2N=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])SC2=C1	REAL300012022939	0	42	0.0	-49.19	366.41	7.86	-41.33
CC1=C(C[NH2+]CC2=NC3=CC=C(Cl)C=C3N2C)C(C(=O)[O-])=C(C)S1	REAL300012022940	0	42	0.0	-43.66	369.98	9.96	-33.70
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1C#N	REAL300012022941	0	41	0.0	-59.80	354.47	8.77	-51.03
CC1=C(C[NH2+]CC2=CC=C(SC(F)F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022942	0	40	0.0	-47.31	354.57	10.32	-36.99
CC1=C(C[NH2+]CC2=C(C)C=C(Cl)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012022943	0	42	0.0	-45.29	354.65	10.62	-34.67
CC1=C(C[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022944	0	40	0.0	-50.61	350.27	8.69	-41.92
CCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])N=C1	REAL300012022945	0	42	0.0	-41.84	351.16	7.43	-34.41
CC1=C(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012022946	0	42	0.0	-48.24	359.26	10.64	-37.60
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC(Cl)=C1OC	REAL300012022947	0	44	0.0	-53.52	383.46	8.89	-44.63
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OCC(C)C	REAL300012022948	0	53	0.0	-49.12	426.96	10.65	-38.47
CCCOC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1OC	REAL300012022949	0	50	0.0	-49.21	406.85	9.97	-39.24
CC1=C(C[NH2+]CC2=CC=C(Br)S2)C(C(=O)[O-])=C(C)S1	REAL300012022950	0	33	0.0	-43.72	316.65	8.89	-34.83
CCOC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC(Cl)=C1OC	REAL300012022951	0	47	0.0	-49.36	405.31	9.81	-39.55
C=CCOC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012022952	0	44	0.0	-48.78	369.02	9.86	-38.92
COC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1OC(C)C	REAL300012022953	0	50	0.0	-49.07	401.26	10.06	-39.01
CCOC1=C(Cl)C=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OC	REAL300012022954	0	47	0.0	-53.44	405.31	9.84	-43.60
CCCOC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=CC=C1OCC	REAL300012022955	0	53	0.0	-40.56	429.70	11.05	-29.51
CCCCOC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1OC	REAL300012022956	0	53	0.0	-49.35	428.35	10.75	-38.60
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OC(F)F	REAL300012022957	0	44	0.0	-45.64	373.26	8.54	-37.10
CCOC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1OC(F)F	REAL300012022958	0	47	0.0	-52.53	395.12	9.45	-43.08
CC1=C(C[NH2+]CC2=CC(C)=C(OC(F)F)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022959	0	46	0.0	-48.94	382.08	10.04	-38.90
CCOC1=CC2=C(C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-])OC(C)C2	REAL300012022960	0	51	0.0	-44.70	411.59	9.93	-34.77
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC2=C1OCCO2	REAL300012022961	0	46	0.0	-50.29	378.45	8.08	-42.21
CC1=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C(C(=O)[O-])=C(C)S1	REAL300012022962	0	45	0.0	-58.47	399.26	10.47	-48.00
CCCCN1N=C(C)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1Cl	REAL300012022963	0	48	0.0	-46.37	407.71	10.10	-36.27
CCOC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1OC(F)F	REAL300012022964	0	47	0.0	-42.92	393.51	9.66	-33.26
CC1=C(C[NH2+]CC2=C(C)C=C(C)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022965	0	45	0.0	-43.24	358.01	10.87	-32.37
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C(C(=O)[O-])=C(C)S1	REAL300012022966	0	43	0.0	-48.37	372.63	11.82	-36.55
CCCOC1=C(Cl)C=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OC	REAL300012022967	0	50	0.0	-53.24	426.81	10.64	-42.60
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)C(C(=O)[O-])=C(C)S1	REAL300012022968	0	43	0.0	-46.12	380.95	11.16	-34.96
CC1=C(C[NH2+]CC(C)(C)C2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012022969	0	45	0.0	-43.84	352.82	10.77	-33.07
CC1=C(C[NH2+]CC2=CN(C)N=C2C2CCCCC2)C(C(=O)[O-])=C(C)S1	REAL300012022970	0	52	0.0	-49.05	412.83	10.63	-38.42
CC1=C(C[NH2+]CC(C)CCC2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012022971	0	48	0.0	-44.51	383.77	11.93	-32.58
CCC1CCCC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C1	REAL300012022972	0	48	0.0	-44.97	357.81	10.38	-34.59
CC1=C(C[NH2+]CC2=NC3=C(CC(C)(C)CC3)S2)C(C(=O)[O-])=C(C)S1	REAL300012022973	0	48	0.0	-47.33	390.23	9.75	-37.58
CCC1=CC=CC(Cl)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012022974	0	42	0.0	-36.62	354.55	10.70	-25.92
CC1=C(C[NH2+]CC2=CC3=CC(C)=C(C)C=C3O2)C(C(=O)[O-])=C(C)S1	REAL300012022975	0	45	0.0	-44.80	370.93	10.78	-34.02
CCCC1CCC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])CC1	REAL300012022976	0	51	0.0	-43.24	386.32	11.40	-31.84
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022977	0	43	0.0	-44.70	377.90	9.43	-35.27
CC1=C(C[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022978	0	43	0.0	-53.14	361.94	11.47	-41.67
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C(C(=O)[O-])=C(C)S1	REAL300012022979	0	43	0.0	-52.34	373.42	11.05	-41.29
CC1=C(C[NH2+]CC2=CC(Cl)=C3OCCOC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012022980	0	42	0.0	-51.00	365.23	8.75	-42.25
CCCCC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300012022981	0	51	0.0	-47.19	412.86	12.56	-34.63
CC1=C(C[NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012022982	0	49	0.0	-54.29	411.66	13.72	-40.57
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012022983	0	49	0.0	-47.34	408.56	11.23	-36.11
CC1=C(C[NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012022984	0	45	0.0	-50.74	383.64	9.53	-41.21
COC1=CC=C(C)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012022985	0	43	0.0	-44.81	354.31	9.08	-35.73
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1F	REAL300012022986	0	40	0.0	-54.20	340.48	8.43	-45.77
CC1=C(C[NH2+]CC2CCC(C(F)(F)F)CC2)C(C(=O)[O-])=C(C)S1	REAL300012022987	0	45	0.0	-44.12	357.36	10.11	-34.01
CC1=C(C[NH2+]CC2CCOC(C(C)C)C2)C(C(=O)[O-])=C(C)S1	REAL300012022988	0	49	0.0	-47.00	374.51	9.04	-37.96
CC1=C(C[NH2+]CC2CCC(C)(C)CC2)C(C(=O)[O-])=C(C)S1	REAL300012022989	0	48	0.0	-43.65	360.97	10.32	-33.33
CC1=C(C[NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012022990	0	43	0.0	-50.38	381.94	9.80	-40.58
CC1=C(C[NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)C(C(=O)[O-])=C(C)S1	REAL300012022991	1	42	0.0	-45.69	382.42	9.68	-36.01
CC1=C(C[NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C(C(=O)[O-])=C(C)S1	REAL300012022992	1	42	0.0	-45.17	381.49	9.49	-35.68
CCSC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012022993	0	43	0.0	-48.76	366.44	10.91	-37.85
CC1=C(C[NH2+]CC2=C(O)C=CC(Cl)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012022994	1	37	0.0	-39.56	335.95	6.77	-32.79
COC1(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])CCCCC1	REAL300012022995	0	46	0.0	-41.12	348.01	8.42	-32.70
CCN1N=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C2=CC=CC=C21	REAL300012022996	0	45	0.0	-42.96	377.76	9.87	-33.09
COCCC1(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])CCCCC1	REAL300012022997	0	52	0.0	-42.86	383.97	9.35	-33.51
CC1=C(C[NH2+]CC2=CC(Br)=C(Cl)S2)C(C(=O)[O-])=C(C)S1	REAL300012022998	0	33	0.0	-47.07	333.73	9.39	-37.68
CCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012022999	0	46	0.0	-47.66	378.84	10.11	-37.55
CC1=C(C[NH2+]CC2=CC3=CC=CC=C3O2)C(C(=O)[O-])=C(C)S1	REAL300012023000	0	39	0.0	-50.96	332.66	9.56	-41.40
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C(C(=O)[O-])=C(C)S1	REAL300012023001	0	43	0.0	-44.28	366.25	10.97	-33.31
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1OC(C)C	REAL300012023002	0	50	0.0	-50.59	403.28	9.79	-40.80
CCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OCC	REAL300012023003	0	53	0.0	-49.05	428.71	10.89	-38.16
CC1=C(C[NH2+]CC2=CC=C(C)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C(C)S1	REAL300012023004	0	41	0.0	-60.88	348.97	10.25	-50.63
CC1=C(C[NH2+]CC2=CC=C(OC(C)C)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023005	0	46	0.0	-47.71	374.03	9.90	-37.81
CCCCCCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023006	0	58	0.0	-47.50	464.83	13.24	-34.26
CC1=C(C[NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023007	0	57	0.0	-44.92	437.63	13.42	-31.50
CC1=C(C[NH2+]CC2=CC=C(F)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023008	0	39	0.0	-48.45	331.48	9.75	-38.70
CC1=C(C[NH2+]CC2=C3NC=CC3=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023009	0	40	0.0	-45.14	336.11	9.06	-36.08
CC1=C(C[NH2+]CC2=C(Br)C=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023010	0	33	0.0	-44.25	314.43	8.69	-35.56
CC1=C(C[NH2+]CC2=CC=CC=C2N2CCOCC2)C(C(=O)[O-])=C(C)S1	REAL300012023011	0	49	0.0	-45.27	388.37	8.56	-36.71
CC1=C(C[NH2+]CC2=CC(F)=CC=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023012	0	36	0.0	-45.27	327.44	9.67	-35.60
CC1=C(C[NH2+]CC2=CC=C(CC(C)C)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023013	0	48	0.0	-44.52	385.90	11.74	-32.78
CC1=C(C[NH2+]CC2=CC(C3=CC=C(C)C=C3)=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023014	0	49	0.0	-46.72	400.37	13.13	-33.59
COC1=CC=C(Br)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023015	0	40	0.0	-38.89	349.66	8.93	-29.96
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012023016	0	42	0.0	-53.18	360.28	9.79	-43.39
CC1=C(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023017	0	36	0.0	-48.03	338.22	10.06	-37.97
CC1=C(C[NH2+]CC2=CC(F)=CC(Cl)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023018	0	36	0.0	-48.69	327.90	9.63	-39.06
CC1=C(C[NH2+]CC2=C(C)C=CC=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023019	0	42	0.0	-42.71	337.90	10.11	-32.60
CC1=C(C[NH2+]CC2=CC(Br)=CO2)C(C(=O)[O-])=C(C)S1	REAL300012023020	0	33	0.0	-45.85	307.21	7.83	-38.02
CC1=C(C[NH2+]CC2=CC(C3=CC=CC=C3C)=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023021	0	49	0.0	-47.76	400.82	13.13	-34.63
CC1=C(C[NH2+]CC2=CC=CC(OC(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023022	0	40	0.0	-50.22	344.01	8.63	-41.59
CCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OCC	REAL300012023023	0	50	0.0	-49.23	407.21	10.09	-39.14
CC1=C(C[NH2+]CC2=CC=C(Cl)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023024	0	36	0.0	-51.79	327.06	9.60	-42.19
CC1=C(C[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023025	0	39	0.0	-55.16	356.65	10.46	-44.70
CC1=C(C[NH2+]CC2=CC=C(F)C=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023026	0	36	0.0	-49.39	327.45	9.67	-39.72
CC1=C(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023027	0	40	0.0	-50.40	350.75	8.85	-41.55
CC1=C(C[NH2+]CC2=CC(Cl)=CC=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023028	0	36	0.0	-47.67	327.05	9.59	-38.08
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023029	0	50	0.0	-47.24	412.97	12.12	-35.12
CC1=C(C[NH2+]CC2=CC(F)=CC(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023030	0	36	0.0	-49.67	317.57	9.19	-40.48
CC1=C(C[NH2+]CC2=CC=CC(Cl)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023031	0	36	0.0	-40.35	325.50	9.60	-30.75
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C2=CC=CC=C12	REAL300012023032	0	46	0.0	-48.35	374.07	10.54	-37.81
CC1=C(C[NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C(C(=O)[O-])=C(C)S1	REAL300012023033	0	43	0.0	-48.91	363.18	8.98	-39.93
CC1=C(C[NH2+]CC2=NNC=C2C2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023033	1	43	0.0	-43.57	363.37	9.02	-34.55
CC1=C(C[NH2+]CC2=CC=CC(F)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023034	0	36	0.0	-41.01	315.61	9.16	-31.85
CC1=C(C[NH2+]CC2=NC3=CC=CC=C3N2C)C(C(=O)[O-])=C(C)S1	REAL300012023035	0	42	0.0	-56.35	352.41	9.43	-46.92
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=N1	REAL300012023036	0	39	0.0	-48.89	331.80	5.74	-43.15
CC1=C(C[NH2+]CC2=CC=C3OCCC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023037	0	41	0.0	-47.92	340.65	8.90	-39.02
CC1=C(C[NH2+]CC2=CSC(Br)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023038	0	33	0.0	-48.59	316.41	8.73	-39.86
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023039	0	46	0.0	-47.77	378.97	12.46	-35.31
CC1=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C(C(=O)[O-])=C(C)S1	REAL300012023040	0	49	0.0	-46.51	409.55	10.61	-35.90
CC1=C(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023041	0	47	0.0	-47.42	378.68	8.96	-38.46
CC1=C(C[NH2+]CC2=C3C=CNC3=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023042	0	40	0.0	-45.27	335.93	9.07	-36.20
CC1=C(C[NH2+]CC2=CC=C(F)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023043	0	39	0.0	-46.96	325.95	9.76	-37.20
CC1=C(C[NH2+]CC2=CC=C(Br)C(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023044	0	36	0.0	-48.61	331.76	9.72	-38.89
CC1=NC(C)=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])S1	REAL300012023045	0	38	0.0	-46.14	330.63	7.51	-38.63
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023046	0	45	0.0	-43.85	376.48	10.93	-32.92
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023047	0	45	0.0	-51.22	373.98	10.69	-40.53
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023048	0	45	0.0	-49.60	374.17	10.71	-38.89
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023049	0	51	0.0	-43.91	398.74	9.60	-34.31
CC1=C(C[NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023050	1	53	0.0	-46.14	415.20	7.79	-38.35
CC1=C(C[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023051	0	45	0.0	-51.75	387.32	7.58	-44.17
CNC(=O)C1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023052	0	43	0.0	-57.94	361.23	7.33	-50.61
CC1=C(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023053	0	43	0.0	-53.80	370.00	10.33	-43.47
CC1=C(C[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023054	0	43	0.0	-53.11	380.31	10.78	-42.33
CC1=C(C[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023055	0	43	0.0	-51.10	375.68	9.74	-41.36
CC1=C(C[NH2+]CC2=CC3=CC=CC=C3C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023056	0	42	0.0	-47.31	350.87	11.31	-36.00
COC1=C2OC(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])=CC2=CC=C1	REAL300012023057	0	43	0.0	-54.62	362.16	8.85	-45.77
CC1=C(C[NH2+]CC2=CC=C(C(C)C)C([N+](=O)[O-])=C2)C(C(=O)[O-])=C(C)S1	REAL300012023058	0	47	0.0	-61.00	389.86	11.55	-49.45
CC1=C(C[NH2+]CC2=CC(Br)=C3OCOC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023059	0	39	0.0	-51.38	352.14	8.33	-43.05
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023060	0	52	0.0	-51.22	426.99	11.66	-39.56
CCOC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1OCC(C)C	REAL300012023061	0	56	0.0	-48.76	448.81	11.57	-37.19
CC1=C(C[NH2+]CC2=CC(Br)=CC=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023062	0	36	0.0	-47.45	331.62	9.70	-37.75
CC1=C(C[NH2+]CC2=CC=C(Br)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023063	0	36	0.0	-51.77	331.62	9.71	-42.06
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC(OC)=C1	REAL300012023064	0	44	0.0	-47.51	363.75	7.66	-39.85
COC1=CC2=CC=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])C=C2C=C1	REAL300012023065	0	46	0.0	-51.00	380.21	10.61	-40.39
CC1=C(C[NH2+]CC2=CC(Br)=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023067	0	33	0.0	-44.95	316.47	8.77	-36.18
CCCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OCC	REAL300012023068	0	56	0.0	-50.28	450.20	11.67	-38.61
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023069	0	49	0.0	-47.32	402.14	11.16	-36.16
COC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1OC(F)F	REAL300012023070	0	44	0.0	-43.10	371.66	8.74	-34.36
CC1=C(C[NH2+]CC2=CC=C(CSC(F)F)O2)C(C(=O)[O-])=C(C)S1	REAL300012023071	0	40	0.0	-44.87	365.29	9.63	-35.24
CC1=C(C[NH2+]CC2=CC3=CC=CC=C3NC2=O)C(C(=O)[O-])=C(C)S1	REAL300012023072	0	42	0.0	-39.03	355.11	8.10	-30.93
CC1=C(C[NH2+]CC2=CC=C(F)C(Br)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023074	0	36	0.0	-48.20	331.76	9.71	-38.49
CC1=C(C[NH2+]CC2=CC=C(OCC3=CC=C(C)C=C3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023075	0	53	0.0	-49.12	437.43	13.01	-36.11
CC1=C(C[NH2+]CC2=CC=C(N3CCCCC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023076	0	51	0.0	-45.50	397.69	10.34	-35.16
CCCCCCOC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023077	0	55	0.0	-48.17	442.11	12.42	-35.75
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1SC	REAL300012023078	0	44	0.0	-50.52	373.67	9.40	-41.12
CC1=C(C[NH2+]CC2=CC=CC(OCCCC#N)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023079	0	47	0.0	-55.45	398.44	10.60	-44.85
CCCCCOC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1OC	REAL300012023080	0	56	0.0	-49.22	449.85	11.53	-37.69
CCC(C)OC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1OC	REAL300012023081	0	53	0.0	-49.25	424.03	10.58	-38.67
CCCCCCCOC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023082	0	58	0.0	-48.18	463.61	13.20	-34.98
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OCCCC#N	REAL300012023083	0	51	0.0	-60.70	427.71	10.49	-50.21
C=C(C)COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1OC	REAL300012023084	0	51	0.0	-50.30	417.67	10.53	-39.77
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OCCC(C)C	REAL300012023085	0	56	0.0	-49.24	445.92	11.27	-37.97
C=CCC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC(OC)=C1O	REAL300012023086	0	48	0.0	-49.33	399.62	8.20	-41.13
CC1=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C(C(=O)[O-])=C(C)S1	REAL300012023087	0	43	0.0	-51.96	364.18	8.97	-42.99
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023088	0	45	0.0	-48.59	382.96	10.01	-38.58
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023089	0	46	0.0	-52.27	402.17	7.57	-44.70
CC1=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C(C(=O)[O-])=C(C)S1	REAL300012023090	1	42	0.0	-44.31	358.91	8.92	-35.39
CC1=C(C[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023091	0	42	0.0	-42.41	367.93	9.81	-32.60
CC1=C(C[NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023092	0	49	0.0	-47.29	391.95	7.87	-39.42
CC1=C(C[NH2+]CC2=CC=C3C(=C2)N=CN3C)C(C(=O)[O-])=C(C)S1	REAL300012023093	0	42	0.0	-55.16	353.14	10.40	-44.76
CCN1N=C(C)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1C	REAL300012023094	0	45	0.0	-44.66	367.43	8.66	-36.00
C=CCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1Cl	REAL300012023095	0	44	0.0	-46.63	385.07	10.40	-36.23
CC1=C(C[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023096	0	42	0.0	-47.33	371.03	10.11	-37.22
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C2OC(C)CC2=C1	REAL300012023097	0	48	0.0	-48.44	391.18	8.94	-39.50
CC1=C(C[NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023098	0	47	0.0	-49.07	382.16	10.30	-38.77
CC1=C(C[NH2+]CC2=COC(C3=CC=CC=C3)=N2)C(C(=O)[O-])=C(C)S1	REAL300012023099	1	42	0.0	-53.01	361.44	7.48	-45.53
CC1=C(C[NH2+]CC2=CSC(C3=CC=CS3)=N2)C(C(=O)[O-])=C(C)S1	REAL300012023100	1	39	0.0	-40.82	362.48	8.91	-31.91
CC1=C(C[NH2+]CC2=CNN=C2C2=CC(C)=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023101	0	46	0.0	-44.05	382.58	9.57	-34.48
CC1=C(C[NH2+]CC2=CC(C)=CC=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023102	0	39	0.0	-38.95	330.68	9.76	-29.19
CC1=C(C[NH2+]CC2=CC(F)=CC=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023103	0	39	0.0	-43.62	325.99	9.75	-33.87
CC1=C(C[NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023104	0	39	0.0	-50.66	360.21	10.55	-40.11
CC1=C(C[NH2+]CC2=CC=C(Br)C=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023105	0	36	0.0	-49.46	338.75	10.11	-39.35
CC1=C(C[NH2+]CC2=CC=C(C)C=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023106	0	39	0.0	-46.20	342.46	10.27	-35.93
CC1=C(C[NH2+]CC2=CC=C(OCC(C)C)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023107	0	49	0.0	-47.49	398.94	10.81	-36.68
COCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023108	0	47	0.0	-50.18	390.96	8.58	-41.60
CC1=C(C[NH2+]CC2CCCC(C)(C)C2)C(C(=O)[O-])=C(C)S1	REAL300012023109	0	48	0.0	-42.99	359.77	10.27	-32.72
CC1=C(C[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023110	0	40	0.0	-49.44	360.07	9.16	-40.28
CC1=C(C[NH2+]CC2=C(Cl)N(C)N=C2C2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023111	0	46	0.0	-41.94	399.52	10.55	-31.39
CC1=C(C[NH2+]CC2C(C)=CCCC2C)C(C(=O)[O-])=C(C)S1	REAL300012023112	0	46	0.0	-41.30	348.67	10.42	-30.88
COC1=CC2=C(C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-])OCO2	REAL300012023113	0	43	0.0	-47.95	358.91	7.07	-40.88
CC1=C(C[NH2+]CC2=CN=CC3=CC=CC=C32)C(C(=O)[O-])=C(C)S1	REAL300012023114	0	41	0.0	-45.67	341.18	9.42	-36.25
CC1=C(C[NH2+]CC2=CC=CC(OCC(C)C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023115	0	49	0.0	-48.10	397.71	10.77	-37.33
CC1=C(C[NH2+]CC2=CC=C(Cl)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023116	0	39	0.0	-46.09	336.27	10.20	-35.89
CC1=C(C[NH2+]CC=CC2=CC=C(F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023117	0	40	0.0	-48.86	343.44	10.46	-38.40
CC1=C(C[NH2+]CC2=CC=C(Cl)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023118	0	35	0.0	-49.53	316.46	7.69	-41.84
CC1=C(C[NH2+]CC2=CN=CC(Br)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023119	0	35	0.0	-49.41	320.92	7.87	-41.54
CC1=C(C[NH2+]CC2=CC=C3C(=C2)N=NN3C)C(C(=O)[O-])=C(C)S1	REAL300012023120	0	41	0.0	-60.25	348.74	7.50	-52.75
CC1=C(C[NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C(C(=O)[O-])=C(C)S1	REAL300012023121	0	47	0.0	-47.47	381.98	10.27	-37.20
CC1=C(C[NH2+]CC2=CC(Br)=CC3=C2OCC3)C(C(=O)[O-])=C(C)S1	REAL300012023122	0	41	0.0	-45.91	361.81	9.51	-36.40
COC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=N1	REAL300012023123	0	39	0.0	-41.71	331.92	5.72	-35.99
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023124	0	46	0.0	-50.23	384.06	10.19	-40.04
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023125	0	43	0.0	-55.14	363.11	10.25	-44.89
CC1=C(C[NH2+]CC2=CN(C(C)C)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023126	0	42	0.0	-45.22	347.77	8.25	-36.97
CC1=C(Br)SC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023127	0	36	0.0	-43.70	337.50	9.52	-34.18
CC1=C(C[NH2+]CC2=CC=C3N=C(C)C=CC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023128	0	44	0.0	-53.62	367.46	10.03	-43.59
COC1=CC=C(OC2=CC=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])C=C2)C=C1	REAL300012023129	0	51	0.0	-50.75	422.97	11.19	-39.56
CC1=C(C[NH2+]CC2=NC=CC=C2C(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023130	0	38	0.0	-44.04	327.54	8.10	-35.94
CC1=C(C[NH2+]CC2=CC=C(C3=CC(C)=CC(C)=C3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023131	0	52	0.0	-47.83	423.00	13.83	-34.00
CC1=C(C[NH2+]CC2=CC=C(N3C=NC=N3)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023132	0	45	0.0	-52.16	379.14	12.59	-39.57
CC1=C(C[NH2+]CC2=CC3=CC(F)=CC=C3O2)C(C(=O)[O-])=C(C)S1	REAL300012023133	0	39	0.0	-51.45	339.07	9.63	-41.82
CC1=C(C[NH2+]CC2=CC=C(OCC(F)F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023134	0	43	0.0	-53.73	370.35	9.63	-44.10
COCC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023135	0	43	0.0	-47.07	359.82	8.77	-38.30
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023136	0	46	0.0	-51.76	400.71	11.32	-40.44
CC1=C(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023137	0	50	0.0	-50.46	422.44	12.40	-38.06
CCCCOC1=CC=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023138	0	49	0.0	-45.53	397.74	10.93	-34.60
CC1=C(C[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023139	0	47	0.0	-49.48	406.58	13.19	-36.29
CC1=C(C[NH2+]CC2=C(OC(F)F)C=C(C)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023140	0	46	0.0	-46.62	381.73	9.92	-36.70
COC1=CC(C)=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OC	REAL300012023141	0	47	0.0	-47.71	378.24	8.88	-38.83
CC1=C(C[NH2+]CC2=NC3=CC(Cl)=CC=C3N2C)C(C(=O)[O-])=C(C)S1	REAL300012023142	0	42	0.0	-58.01	369.21	9.94	-48.07
CC1=C(C[NH2+]CC2=CNN=C2C2=CSC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023144	0	40	0.0	-50.12	351.56	7.89	-42.23
CC1=C(C[NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023145	0	46	0.0	-47.56	395.42	10.79	-36.77
CC1=C(C[NH2+]CC2=NC3=C(CC(C)CC3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023146	0	45	0.0	-47.49	375.32	9.44	-38.05
CC1=C(C[NH2+]CC2CCC(C(C)(C)C)CC2)C(C(=O)[O-])=C(C)S1	REAL300012023147	0	54	0.0	-44.81	387.55	11.15	-33.66
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023148	0	50	0.0	-47.69	407.03	11.84	-35.85
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023149	0	50	0.0	-46.62	407.00	11.83	-34.79
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023150	0	49	0.0	-49.56	402.22	10.08	-39.48
CC1=C(C[NH2+]CC2=CC=C(OCC3CC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023151	0	47	0.0	-47.88	387.79	10.86	-37.02
COC1=CC(Cl)=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1Cl	REAL300012023152	0	40	0.0	-47.06	362.95	9.34	-37.72
CC1=C(C[NH2+]CC2=CN=C(CC(C)C)S2)C(C(=O)[O-])=C(C)S1	REAL300012023153	0	44	0.0	-45.74	372.60	9.24	-36.50
CC1=C(C[NH2+]CC2=CN=C(C3=CC=CS3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023154	0	39	0.0	-48.62	361.68	9.13	-39.49
CC1=C(C[NH2+]CC2=CN=C(C3=CSC=C3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023155	0	39	0.0	-47.58	360.94	9.01	-38.57
CC1=CC=C(C2=NC=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])S2)O1	REAL300012023156	0	42	0.0	-50.80	374.49	8.96	-41.84
CC1=C(C[NH2+]CC2=CC=C(Br)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023157	0	39	0.0	-46.11	340.84	10.31	-35.80
CC1=C(C[NH2+]CC2=CC=C(Cl)C(Br)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023158	0	36	0.0	-47.38	340.88	10.12	-37.26
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=CC=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023159	0	43	0.0	-52.37	367.76	9.00	-43.37
CC1=C(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023160	0	45	0.0	-43.67	378.62	10.75	-32.92
CC1=C(C[NH2+]CC2=C(Cl)OC3=CC=CC=C32)C(C(=O)[O-])=C(C)S1	REAL300012023161	0	39	0.0	-47.79	348.88	10.01	-37.78
COCCOC1=CC=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023162	0	47	0.0	-46.18	388.37	8.61	-37.57
CC1=C(C[NH2+]CC2=CC=C(Cl)C=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023163	0	36	0.0	-48.59	337.78	10.11	-38.48
COC1=C(Br)C=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023164	0	40	0.0	-50.57	354.62	9.11	-41.46
CC1=C(C[NH2+]CC2=NC3=C(CCC3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023165	0	39	0.0	-48.65	336.63	8.26	-40.39
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CC=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023166	0	43	0.0	-48.42	364.55	9.29	-39.13
CC1=C(C[NH2+]CC2=CC(Cl)=CC=C2OC2CCCC2)C(C(=O)[O-])=C(C)S1	REAL300012023167	0	50	0.0	-44.31	414.69	11.83	-32.48
CC1=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C(C)(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023168	0	55	0.0	-49.06	430.20	12.50	-36.56
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023169	0	40	0.0	-47.96	335.49	8.39	-39.57
CC1=C(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)C(C(=O)[O-])=C(C)S1	REAL300012023170	0	43	0.0	-45.35	372.65	11.04	-34.31
CC1=C(C[NH2+]CC2=CN=C(C(C)(C)C)S2)C(C(=O)[O-])=C(C)S1	REAL300012023171	0	44	0.0	-45.93	372.84	8.88	-37.05
CC1=C(C[NH2+]CC2=CC=C3OCCOC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023172	0	42	0.0	-47.65	349.26	8.21	-39.44
CC1=C(C[NH2+]CC2=CC=CC(Br)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023173	0	36	0.0	-49.16	326.04	9.67	-39.49
CC1=C(C[NH2+]CC2=CC=CC(Cl)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023174	0	36	0.0	-48.96	321.48	9.56	-39.40
CC1=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023175	0	43	0.0	-48.45	363.58	10.26	-38.19
CC1=C(C[NH2+]CC2=CN(CC3=CC=CC=C3Cl)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023176	0	46	0.0	-48.37	403.41	11.14	-37.23
CC1=C(C[NH2+]CC2=CN(C(C)(C)C)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023177	0	45	0.0	-49.88	368.76	8.91	-40.97
CC1=C(C[NH2+]CC2=CC(C)=CC(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023178	0	42	0.0	-44.61	347.57	10.38	-34.23
CC(=O)NC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023179	0	43	0.0	-54.87	361.13	7.93	-46.94
CC1=C(C[NH2+]CC2=CC=CC=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023180	0	36	0.0	-37.44	316.56	9.53	-27.91
CC1=C(C[NH2+]CC2=CC=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C(C)S1	REAL300012023181	0	38	0.0	-60.97	332.97	9.72	-51.25
CC1=C(C[NH2+]CC2=CC=C([N+](=O)[O-])C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023182	0	38	0.0	-56.77	334.20	9.76	-47.01
CC1=C(C[NH2+]CC2=CC=CC3=CC=CC=C32)C(C(=O)[O-])=C(C)S1	REAL300012023183	0	42	0.0	-46.90	345.74	11.19	-35.71
CC1=C(C[NH2+]CC2=CC=C(N(C)C)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023184	0	44	0.0	-45.26	357.49	9.49	-35.77
CCN(CC)C1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023185	0	50	0.0	-44.50	401.11	11.39	-33.11
CC1=C(C[NH2+]CC2=CC=C(Br)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023186	0	36	0.0	-47.74	327.28	9.71	-38.03
CC1=C(C[NH2+]CC2=CC=C(Cl)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023187	0	36	0.0	-47.73	322.71	9.61	-38.12
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC(OC)=C1OC	REAL300012023188	0	48	0.0	-52.58	396.66	8.17	-44.41
CC1=C(C[NH2+]CC2=C(F)C=CC=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023189	1	36	0.0	-40.60	324.11	9.48	-31.12
CC1=C(C[NH2+]CC2=CC=CC=C2OC(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023190	0	40	0.0	-46.96	342.65	8.70	-38.26
COC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1OC	REAL300012023191	0	44	0.0	-50.62	363.48	8.32	-42.30
CC1=C(C[NH2+]CC2=CC=C(Cl)C=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023192	0	36	0.0	-49.46	334.19	10.01	-39.45
CC1=C(C[NH2+]CC2=CC=C(N3CCOCC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023193	0	49	0.0	-47.16	388.76	7.89	-39.27
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OC	REAL300012023194	0	44	0.0	-50.79	363.50	8.25	-42.54
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(OC)=C1	REAL300012023195	0	44	0.0	-48.05	362.36	7.71	-40.34
CC1=C(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023196	0	39	0.0	-49.70	343.48	10.05	-39.65
CC1=C(C[NH2+]CC2=CC=C(F)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023197	0	36	0.0	-52.60	316.74	9.15	-43.45
CC1=C(C[NH2+]CC2=CC=CC(Cl)=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023198	0	36	0.0	-38.54	331.81	9.98	-28.56
CC1=C(C[NH2+]CC2=CC=C(Cl)C(Cl)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023199	0	36	0.0	-47.61	336.67	10.02	-37.59
CC1=C(C[NH2+]CC2=CC=C(OC(F)F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023200	0	40	0.0	-47.84	344.01	8.63	-39.21
CC1=C(C[NH2+]CC2=CC=CC=C2C(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023201	0	39	0.0	-42.99	333.30	10.13	-32.86
CCCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023202	0	49	0.0	-47.73	400.34	10.89	-36.84
CC1=C(C[NH2+]CC2=CC=C(OCCC(C)C)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023203	0	52	0.0	-47.59	417.90	11.42	-36.17
CCCCCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023204	0	55	0.0	-47.59	443.34	12.46	-35.13
CC1=C(C[NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023205	0	47	0.0	-51.89	393.45	11.89	-40.00
CCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(OCCC)=C1	REAL300012023206	0	56	0.0	-47.55	449.07	11.17	-36.38
COC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023207	0	40	0.0	-48.61	334.26	8.35	-40.26
CC(=CC1=CC=CC=C1)C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023208	0	43	0.0	-45.57	352.94	10.83	-34.74
CCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OC	REAL300012023209	0	47	0.0	-49.29	385.36	9.17	-40.12
CC1=C(C[NH2+]CC2=CC=C(C(C)C)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023210	0	45	0.0	-44.95	366.21	11.02	-33.93
CC1=C(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023211	0	39	0.0	-51.87	343.47	10.05	-41.82
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(OC)=C1OC	REAL300012023212	0	48	0.0	-53.98	391.53	8.08	-45.90
CCOC1=CC=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023213	0	43	0.0	-45.23	354.75	9.35	-35.88
CCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023214	0	43	0.0	-47.91	357.34	9.31	-38.60
COC1=CC=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023215	0	40	0.0	-45.27	332.90	8.42	-36.85
COC1=CC=C(Br)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023216	0	40	0.0	-44.11	354.19	9.03	-35.08
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023217	0	46	0.0	-47.51	378.97	12.47	-35.04
COC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012023218	0	46	0.0	-43.63	375.14	10.53	-33.10
CC1=C(C[NH2+]CC2=CC=C(C#N)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023219	0	37	0.0	-53.05	326.84	9.48	-43.57
CSC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023220	0	40	0.0	-48.22	346.20	10.11	-38.11
CC1=C(C[NH2+]CC2=C(Cl)C=CC=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023221	0	36	0.0	-39.32	332.86	9.87	-29.45
COC1=CC(OC)=C(OC)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023222	0	48	0.0	-48.88	391.58	7.62	-41.26
CCC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023223	0	42	0.0	-44.75	347.65	10.49	-34.26
CC1=C(C[NH2+]CC2=C(C)C=C(C)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023224	0	45	0.0	-43.02	359.33	10.78	-32.24
CC1=C(C[NH2+]CC2=C(F)C=CC=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023225	1	36	0.0	-42.29	315.38	9.09	-33.20
CC1=C(C[NH2+]CC2=CC=C(F)C(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023226	0	36	0.0	-49.67	317.46	9.17	-40.50
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023227	0	46	0.0	-49.45	398.16	11.04	-38.41
CC1=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023228	0	50	0.0	-49.89	416.02	12.33	-37.56
CC1=C(C[NH2+]CC2=CC=CC=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023229	0	36	0.0	-36.69	320.12	9.64	-27.05
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1O	REAL300012023230	0	41	0.0	-51.51	345.01	6.19	-45.32
CC1=NN(C)C(C)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023231	0	42	0.0	-45.01	345.61	7.79	-37.22
CC1=NN(C)C(Cl)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023232	0	39	0.0	-47.04	342.90	7.69	-39.35
CCC1=NN(C)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023233	0	42	0.0	-49.60	348.71	8.19	-41.41
CC1=C(C[NH2+]CC2=CN(CC(F)(F)F)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023234	0	39	0.0	-49.31	348.22	8.26	-41.05
CC1=C(C[NH2+]CC2=CN(C)N=C2C(C)(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023235	0	48	0.0	-46.91	372.02	9.18	-37.73
CC1=C(C[NH2+]CC2=CC=C(N(C)CCC#N)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023236	0	48	0.0	-49.20	400.18	10.94	-38.26
CC1=C(C[NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)C(C(=O)[O-])=C(C)S1	REAL300012023237	0	46	0.0	-45.58	384.87	10.79	-34.79
CCOC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1OC	REAL300012023238	0	47	0.0	-49.49	386.25	9.32	-40.17
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OCC(N)=O	REAL300012023239	0	48	0.0	-63.56	402.08	6.21	-57.35
C#CCOC1=CC=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023240	0	42	0.0	-47.48	360.53	9.89	-37.59
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC2=C1OCO2	REAL300012023241	0	43	0.0	-51.66	360.34	7.00	-44.66
CC1=C(C[NH2+]CC2=NN(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023242	1	42	0.0	-46.07	360.43	8.88	-37.19
COC1=CC2=C(C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-])OC(C)C2	REAL300012023243	0	48	0.0	-44.83	389.90	9.02	-35.81
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1C	REAL300012023245	0	43	0.0	-46.66	354.33	9.10	-37.56
CC1=C(C[NH2+]CC2=CNN=C2C(C)(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023246	0	45	0.0	-43.14	352.24	7.77	-35.37
COC1=CC=CC(OC)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023247	0	44	0.0	-40.30	362.29	7.80	-32.50
COC1=CC=C(F)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023248	0	40	0.0	-41.52	338.75	8.38	-33.14
CSC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])S1	REAL300012023249	0	37	0.0	-46.73	338.29	9.36	-37.37
CC1=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023250	0	49	0.0	-45.08	394.23	12.87	-32.21
CC1=C(C[NH2+]CC2=CC=CC3=C2OCO3)C(C(=O)[O-])=C(C)S1	REAL300012023251	0	39	0.0	-51.77	330.77	7.70	-44.07
CC1=C(C[NH2+]CC2=C(Cl)C=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023252	0	33	0.0	-44.62	310.26	8.60	-36.02
CC1=C(C[NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023253	0	42	0.0	-56.24	365.45	6.58	-49.66
CC1=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023254	0	46	0.0	-48.13	396.92	13.02	-35.11
COC1=CC=C(F)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023255	0	40	0.0	-45.00	339.28	8.49	-36.51
CC1=C(C[NH2+]CC2=CC=C(C(N)=O)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023256	0	40	0.0	-57.71	339.29	5.84	-51.87
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1F	REAL300012023257	0	40	0.0	-51.40	340.49	8.42	-42.98
COC1=CC=C(Cl)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023258	0	40	0.0	-44.31	349.62	8.93	-35.38
COC(=O)C1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CN1C	REAL300012023259	0	43	0.0	-56.92	364.18	9.24	-47.68
CC1=C(C[NH2+]CC2=CC=C(C)C(Cl)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023260	0	39	0.0	-44.48	340.22	10.15	-34.33
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1C	REAL300012023261	0	43	0.0	-46.42	354.33	9.10	-37.32
CC1=C(C[NH2+]CC2=C(F)C(C)=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023262	0	39	0.0	-49.41	330.64	9.72	-39.69
CC1=C(C[NH2+]CC2=CC=C(C#N)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023263	0	37	0.0	-57.12	331.14	9.47	-47.65
CC1=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023264	0	49	0.0	-50.21	408.79	10.64	-39.57
CC1=C(C[NH2+]CC2=CC=C(Br)C=N2)C(C(=O)[O-])=C(C)S1	REAL300012023265	0	35	0.0	-41.48	321.04	7.83	-33.65
CC1=C(C[NH2+]CC2=CN=C(N3CCOCC3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023266	0	45	0.0	-47.99	378.47	6.35	-41.64
C#CCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023267	0	45	0.0	-48.02	384.62	10.64	-37.38
CC1=C(C[NH2+]CC2=CN3C=CC=CC3=N2)C(C(=O)[O-])=C(C)S1	REAL300012023268	0	39	0.0	-42.19	331.73	9.57	-32.62
CC1=NN(C)C2=NC=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])C=C12	REAL300012023269	0	44	0.0	-56.44	371.05	8.77	-47.67
CC1=C(C[NH2+]CC2=CSC(C3CC3)=N2)C(C(=O)[O-])=C(C)S1	REAL300012023270	1	39	0.0	-39.81	341.21	8.28	-31.53
CCC1=NC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CS1	REAL300012023271	1	38	0.0	-48.11	332.83	7.51	-40.60
CC1=C(C[NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C(C(=O)[O-])=C(C)S1	REAL300012023272	0	39	0.0	-52.40	348.48	10.06	-42.34
CCOCC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1OC	REAL300012023273	0	50	0.0	-43.61	408.34	9.26	-34.35
CC1=C(C[NH2+]CC2=CC=CC(C(N)=O)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023274	0	40	0.0	-58.19	339.30	5.82	-52.37
CC1=C(C[NH2+]CC2=NC=CN2CC(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023275	1	39	0.0	-41.87	343.28	8.66	-33.21
CC1=C(C[NH2+]CC2CCCCCCC2)C(C(=O)[O-])=C(C)S1	REAL300012023276	0	48	0.0	-42.62	346.03	10.15	-32.47
COC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1F	REAL300012023277	0	40	0.0	-54.23	339.63	8.39	-45.84
CC1=C(C[NH2+]CC2=C(F)C=CC=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023278	1	36	0.0	-39.95	328.14	9.57	-30.38
CC1=C(C[NH2+]CC2=CC=C3CCCC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023279	0	43	0.0	-44.87	350.29	10.96	-33.91
CC1=C(C[NH2+]CC2=CSC=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023280	0	33	0.0	-46.34	314.29	8.61	-37.73
CC1=C(C[NH2+]CC2=CC=CC=C2OCC(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023281	0	49	0.0	-43.67	393.03	10.75	-32.92
CC1=C(C[NH2+]CC2=NC3=C(CCCC3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023282	0	42	0.0	-47.77	354.52	8.83	-38.94
CC1=C(C[NH2+]CC2=CC(F)=CC(Br)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023283	0	36	0.0	-48.78	332.46	9.74	-39.04
CC1=C(C[NH2+]CC2=CC3=CC=NC=C3C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023284	0	41	0.0	-51.44	345.76	9.53	-41.91
CC1=C(C[NH2+]CC2=CC=CC(F)=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023285	0	36	0.0	-38.19	325.92	9.68	-28.51
COC1=CC(F)=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023286	0	40	0.0	-48.63	340.67	8.42	-40.21
CC1=C(C[NH2+]CC2=CC=CC(Br)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023287	0	36	0.0	-40.40	329.91	9.70	-30.70
CC1=C(C[NH2+]CC2=CN=C(C(C)(C)C)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023288	0	46	0.0	-50.23	376.38	9.00	-41.23
CC1=C(C[NH2+]CC2=CC=C(S(C)=O)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023289	0	41	0.0	-62.75	358.20	7.68	-55.07
CC1=C(C[NH2+]CC2=CC=C3CCCCC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023290	0	46	0.0	-44.81	367.46	11.54	-33.27
CC1=C(C[NH2+]CC2=CC=CC(C#N)=N2)C(C(=O)[O-])=C(C)S1	REAL300012023291	0	36	0.0	-44.61	320.69	7.53	-37.08
COC(=O)C1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CN1	REAL300012023292	0	40	0.0	-57.20	346.41	7.49	-49.71
COCC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])O1	REAL300012023293	0	40	0.0	-49.37	341.10	7.06	-42.31
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C)=C1OC	REAL300012023294	0	47	0.0	-50.14	378.50	8.96	-41.18
CC1=C(C[NH2+]CC2=CSC(Cl)=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023295	0	33	0.0	-50.90	325.78	9.06	-41.84
CC1=C(C[NH2+]CC2=CC=C(F)N=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023296	0	38	0.0	-53.26	321.10	7.80	-45.46
COC1=CC(C)=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023297	0	43	0.0	-45.18	354.31	9.08	-36.10
CC1=C(C[NH2+]CC2=CN=C(C(F)(F)F)S2)C(C(=O)[O-])=C(C)S1	REAL300012023298	0	35	0.0	-50.63	330.82	7.47	-43.16
CC1=C(C[NH2+]CC2=CC=CC(S(C)(=O)=O)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023299	0	42	0.0	-58.95	365.44	6.57	-52.38
CC1=C(C[NH2+]CC2=CC(Cl)=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023300	0	33	0.0	-45.24	311.88	8.66	-36.58
CC1=C(C[NH2+]CC2=CC=C(C3CCCC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023301	0	49	0.0	-44.81	388.30	12.24	-32.57
CC1=C(C[NH2+]CC2=CC(C)=CC(Cl)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023302	0	39	0.0	-44.44	342.89	10.22	-34.22
COCC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023303	0	43	0.0	-47.00	361.05	8.82	-38.18
CC1=C(C[NH2+]CC2=NC=CN2C2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023304	1	43	0.0	-45.63	363.58	10.76	-34.87
CC1=C(C[NH2+]CC2=CC=C(C3CC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023305	0	43	0.0	-45.24	353.97	11.16	-34.08
CC1=C(C[NH2+]CC2=NC=C(Cl)S2)C(C(=O)[O-])=C(C)S1	REAL300012023306	1	32	0.0	-48.58	306.60	6.81	-41.77
CC1=C(C[NH2+]CC2=CC=NN2C2CCCC2)C(C(=O)[O-])=C(C)S1	REAL300012023307	0	46	0.0	-50.13	372.17	9.59	-40.54
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023308	0	46	0.0	-48.31	378.60	10.69	-37.62
CC1=C(C[NH2+]CC2=CC=C(C(F)F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023309	0	39	0.0	-48.49	338.17	9.96	-38.53
COC1=CC(C)=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C)=N1	REAL300012023310	0	45	0.0	-47.17	365.59	6.81	-40.36
COC1=CC=CC(Cl)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023311	0	40	0.0	-41.23	346.98	8.83	-32.40
CCC1=CC(OC)=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023312	0	46	0.0	-46.60	367.71	9.64	-36.96
CC1=NC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])N1C1=CC=CC=C1	REAL300012023313	0	46	0.0	-44.39	383.80	11.31	-33.08
CCCN1N=C(C)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1C	REAL300012023314	0	48	0.0	-44.34	388.93	9.41	-34.93
CC1=C(C[NH2+]CC2=CN=C(C3CC3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023315	0	41	0.0	-51.15	346.75	8.71	-42.44
COCCN1C=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=N1	REAL300012023316	0	43	0.0	-47.12	364.02	6.81	-40.31
CC1=C(C[NH2+]CC2=CC=C(C3CCC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023317	0	46	0.0	-45.17	371.74	11.67	-33.50
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC2=CC=CC=C21	REAL300012023318	0	46	0.0	-49.27	379.23	10.66	-38.61
CCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1F	REAL300012023319	0	43	0.0	-47.75	362.37	9.34	-38.41
COC1=CC=CC2=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])C=CC=C12	REAL300012023320	0	46	0.0	-48.63	374.09	10.54	-38.09
CC1=C(C[NH2+]CC2=CC(C#N)=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023321	0	34	0.0	-53.14	316.01	8.58	-44.56
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1C#N	REAL300012023322	0	41	0.0	-56.04	354.47	8.77	-47.27
CC1=C(C[NH2+]CC2=CC=NN2C2=CC=CC=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023323	0	46	0.0	-43.48	379.95	10.91	-32.57
CC1=C(C[NH2+]CC2=NC=C(C(F)(F)F)S2)C(C(=O)[O-])=C(C)S1	REAL300012023324	1	35	0.0	-50.20	330.10	7.37	-42.83
CC1=C(C[NH2+]CC2=CC=C(C#N)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023325	0	40	0.0	-53.09	344.76	9.95	-43.14
CC1=C(C[NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C(C(=O)[O-])=C(C)S1	REAL300012023326	0	43	0.0	-50.08	368.61	7.36	-42.72
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(Br)=C1	REAL300012023327	0	40	0.0	-49.12	350.53	8.89	-40.23
CC1=C(C[NH2+]CC2=CN(CC(C)C)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023328	0	45	0.0	-45.15	370.43	9.26	-35.89
CC1=C(C[NH2+]CC2=CC=CC=C2C2CC2)C(C(=O)[O-])=C(C)S1	REAL300012023329	0	43	0.0	-44.04	347.79	11.06	-32.98
CC1=CC(Br)=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])S1	REAL300012023330	0	36	0.0	-38.37	336.34	9.48	-28.89
CC1=C(C[NH2+]CC2=CC=CC(C(=O)OC(C)(C)C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023331	0	51	0.0	-55.05	414.45	11.76	-43.29
CC1=C(C[NH2+]CC2=C(Cl)C=CC=C2SC(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023332	0	46	0.0	-38.89	393.84	11.75	-27.14
CCC1=CN=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])S1	REAL300012023333	1	38	0.0	-47.29	332.94	7.77	-39.52
CC1=C(C[NH2+]CC2=CC=C3C(=C2)CCC(=O)N3C)C(C(=O)[O-])=C(C)S1	REAL300012023334	0	47	0.0	-54.41	381.46	9.98	-44.43
CC1=C(C[NH2+]CC2=CC(C)=CC=C2OC(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023335	0	43	0.0	-46.62	364.06	9.36	-37.26
CC1=C(C[NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023336	0	42	0.0	-47.48	387.75	10.63	-36.85
CC1=C(C[NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)C(C(=O)[O-])=C(C)S1	REAL300012023337	0	42	0.0	-49.10	374.32	10.30	-38.80
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023338	0	53	0.0	-45.08	430.36	12.55	-32.53
CC1=C(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)C(C(=O)[O-])=C(C)S1	REAL300012023339	0	47	0.0	-45.16	403.16	11.44	-33.72
CC1=NN(C(C)C)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023340	0	45	0.0	-48.83	367.44	8.84	-39.99
CC1=C(C[NH2+]CC2=CN=C(C3CCCC3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023341	0	45	0.0	-46.01	377.91	9.73	-36.28
CC1=C(C[NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)C(C(=O)[O-])=C(C)S1	REAL300012023342	0	42	0.0	-49.05	377.94	10.30	-38.75
CC1=C(C[NH2+]CC2=CN=C(C3CC3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023343	0	39	0.0	-46.22	342.67	8.69	-37.53
CC1=C(C[NH2+]CC2=CN=C(C(C)C)S2)C(C(=O)[O-])=C(C)S1	REAL300012023344	0	41	0.0	-46.00	354.97	8.41	-37.59
CC1=C(C[NH2+]CC2=CN=C(C3=CC=CO3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023345	0	39	0.0	-50.72	352.58	8.14	-42.58
CC1=C(C[NH2+]CC2=CC=C(Br)C(Cl)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023346	0	36	0.0	-47.67	340.88	10.12	-37.55
CC1=C(C[NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023347	0	48	0.0	-47.74	414.34	11.57	-36.17
CC1=C(C[NH2+]CC2=CC=C(C3=CN(C)N=C3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023348	0	46	0.0	-51.83	386.10	10.38	-41.45
CC1=C(C[NH2+]CC2=CN(CC(F)F)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023349	0	39	0.0	-48.94	342.19	8.09	-40.85
CC1=C(C[NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023350	0	47	0.0	-50.10	399.86	11.97	-38.13
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CC=C(F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023351	0	46	0.0	-45.00	390.50	10.29	-34.71
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CC=C(C#N)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023352	0	47	0.0	-49.61	404.91	10.61	-39.00
CC1=C(C[NH2+]CC2=CC=C(C(=O)N(C)C)N2)C(C(=O)[O-])=C(C)S1	REAL300012023353	0	44	0.0	-58.61	361.75	7.23	-51.38
CC1=C(C[NH2+]CC2=CC(C(N)=O)=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023354	0	37	0.0	-47.51	331.12	4.91	-42.60
CC1=C(C[NH2+]CC2=CC=C(N(C)C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023355	0	50	0.0	-53.09	413.13	11.48	-41.61
CCC1=NN(C)C(CC)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023356	0	48	0.0	-48.43	389.62	9.28	-39.15
CC1=C(C[NH2+]CC2=CN=C(C3CCC3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023357	0	42	0.0	-45.82	359.30	9.17	-36.65
CC1=C(C[NH2+]CC2=CN=C(C3CCCO3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023358	0	43	0.0	-49.57	368.80	7.28	-42.29
CC1=C(C[NH2+]CC2=CN(C3=CC=CC=C3C)N=N2)C(C(=O)[O-])=C(C)S1	REAL300012023359	1	45	0.0	-43.59	380.04	9.81	-33.78
CC1=C(C[NH2+]CC2=CC(Br)=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023360	0	36	0.0	-53.24	327.18	7.16	-46.08
CC1=C(C[NH2+]CC2=CC=C(C3=CN(C)N=C3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023361	0	43	0.0	-47.88	378.71	9.74	-38.14
CC1=C(C[NH2+]CC2=CC=C3OCCCCOC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023362	0	48	0.0	-48.63	383.81	9.93	-38.70
CCOC1=C(Cl)C=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023363	0	43	0.0	-50.25	372.16	9.95	-40.30
CCC1=CC=CC(F)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023364	0	42	0.0	-37.89	345.65	10.32	-27.57
CC1=C(C[NH2+]CC2=CC=C(F)C(Cl)=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023365	0	36	0.0	-41.34	337.64	10.03	-31.31
CC1=C(C[NH2+]CC2=NN(C(F)F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023366	1	36	0.0	-44.40	320.98	6.96	-37.44
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023367	0	47	0.0	-46.36	390.30	9.43	-36.93
CC1=C(C[NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023368	1	40	0.0	-41.33	354.73	8.93	-32.40
CC1=C(C[NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023369	0	43	0.0	-51.69	367.41	10.00	-41.69
CC1=C(C[NH2+]CC2=CC=C(C)C=C2C2=CN(C)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023370	0	49	0.0	-39.14	402.75	10.89	-28.25
CC1=C(C[NH2+]CC2=CC=C(C)C=C2C2=CC=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023371	0	49	0.0	-51.57	397.94	10.50	-41.07
CC1=C(C[NH2+]CC2=NC=C(C(C)C)S2)C(C(=O)[O-])=C(C)S1	REAL300012023372	1	41	0.0	-47.05	353.31	8.41	-38.64
CC1=C(C[NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023373	0	46	0.0	-43.35	404.02	11.01	-32.34
CC1=C(C[NH2+]CC2=NC=C(C(C)(C)C)S2)C(C(=O)[O-])=C(C)S1	REAL300012023374	1	44	0.0	-40.30	371.12	8.83	-31.47
CC1=C(C[NH2+]CC2=C(C3CC3)N=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023375	0	39	0.0	-45.56	341.47	8.52	-37.04
CC1=C(C[NH2+]CC2=CN(CCC#N)N=C2C2=CC=NC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023376	0	49	0.0	-50.33	421.36	9.84	-40.49
CC1=C(C[NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)C(C(=O)[O-])=C(C)S1	REAL300012023377	0	42	0.0	-46.59	357.20	12.16	-34.43
COC(=O)C1=C(C)N(C)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023378	0	46	0.0	-55.53	384.05	9.60	-45.93
COCCCN1N=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023379	0	46	0.0	-49.11	377.64	7.39	-41.72
CC1=C(C[NH2+]CC2=C(F)C=C(C)C=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023380	1	39	0.0	-40.59	345.53	10.15	-30.44
COCCOCC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023381	0	50	0.0	-48.06	416.53	9.05	-39.01
CSCC1=CN=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])S1	REAL300012023382	1	39	0.0	-48.75	356.17	8.22	-40.53
CC1=C(C[NH2+]CC2=CSC=C2C(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023383	0	36	0.0	-50.18	325.82	9.06	-41.12
CC1=C(C[NH2+]CC2=C(C)C3=CC=CC(Cl)=C3S2)C(C(=O)[O-])=C(C)S1	REAL300012023384	0	42	0.0	-42.14	375.40	11.58	-30.56
CCN1N=C(C)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=N1	REAL300012023385	1	41	0.0	-50.58	345.11	6.66	-43.92
CC1=C(C[NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023386	0	50	0.0	-47.01	428.18	11.46	-35.55
CC1=C(C[NH2+]CC2=CC=CC(C3CC3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023387	0	43	0.0	-45.40	353.97	11.15	-34.25
CC1=C(C[NH2+]CC2=CC=C(C#N)C(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023388	0	37	0.0	-59.19	331.51	9.49	-49.70
CC1=C(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023389	0	39	0.0	-56.34	344.36	8.15	-48.19
CC1=C(C[NH2+]CC2=C(F)C=C(C)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023390	1	39	0.0	-42.01	338.01	9.80	-32.21
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])O1	REAL300012023391	0	46	0.0	-47.21	382.11	9.30	-37.91
CC1=C(C[NH2+]CC2=CC=NN2CC(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023392	0	45	0.0	-48.64	365.91	9.07	-39.57
CC1=C(C[NH2+]CC2=CC(Br)=CN=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023393	0	35	0.0	-40.96	333.05	8.28	-32.68
COC(=O)C1=C(C)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CN1	REAL300012023394	0	43	0.0	-46.52	362.39	8.06	-38.46
CC1=C(C[NH2+]CC2=CN=C(C3=CC=C(C)C(C)=C3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023395	0	48	0.0	-47.19	408.14	11.28	-35.91
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023396	0	46	0.0	-56.35	387.63	11.01	-45.34
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023397	0	46	0.0	-53.60	395.34	11.55	-42.05
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023398	0	49	0.0	-48.49	404.59	11.52	-36.97
CC1=C(C[NH2+]CC2=CC=C(C(C)(C)C#N)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023399	0	46	0.0	-52.36	382.59	11.04	-41.32
CC1=C(C[NH2+]CC2=CC=CC=C2C(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023400	0	45	0.0	-43.60	358.66	10.85	-32.75
CC1=C(C[NH2+]CC2=NN3CCCCC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023401	1	43	0.0	-48.28	349.38	8.37	-39.91
CC1=C(C[NH2+]CC2=CN=NN2C2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023402	0	42	0.0	-50.18	356.32	8.72	-41.46
CC1=C(C[NH2+]CC2=CC3=CN=CC=C3O2)C(C(=O)[O-])=C(C)S1	REAL300012023403	0	38	0.0	-53.42	327.39	7.83	-45.59
COC1=CC(OC)=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1F	REAL300012023404	0	44	0.0	-47.53	368.57	7.79	-39.74
COC1=CC(F)=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OC	REAL300012023405	0	44	0.0	-43.48	367.97	8.30	-35.18
CC1=C(C[NH2+]CC2=CC=C(C)C=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023406	0	39	0.0	-47.04	338.87	10.16	-36.88
CCC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023407	0	42	0.0	-44.73	347.64	10.48	-34.25
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023408	0	49	0.0	-48.65	404.72	11.51	-37.14
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(F)=C1	REAL300012023409	0	40	0.0	-52.49	339.82	8.37	-44.12
CC1=C(C[NH2+]CC2=CC=CC3=C2CCC3)C(C(=O)[O-])=C(C)S1	REAL300012023410	0	43	0.0	-44.09	348.96	10.88	-33.21
COC1=CC=CC(F)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023411	0	40	0.0	-42.97	338.23	8.44	-34.53
CCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C)=C1	REAL300012023412	0	49	0.0	-46.13	392.38	10.71	-35.42
CC1=C(C[NH2+]CC2=CC3=CC=NC=C3S2)C(C(=O)[O-])=C(C)S1	REAL300012023413	0	38	0.0	-46.90	338.12	8.84	-38.06
CC1=C(C[NH2+]CC2=C3CCCN3N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023414	0	40	0.0	-50.94	331.26	7.64	-43.30
CC1=C(C[NH2+]CC2=CC3=CC(Br)=CC=C3O2)C(C(=O)[O-])=C(C)S1	REAL300012023415	0	39	0.0	-50.98	353.95	10.18	-40.80
CCC1=C2OC(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])=CC2=CC=C1	REAL300012023416	0	45	0.0	-50.58	375.56	10.99	-39.59
C=CCCN1C=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])N=N1	REAL300012023417	1	42	0.0	-43.13	357.28	7.72	-35.41
CC1=C(C[NH2+]CC2=CC=NN2CC2CC2)C(C(=O)[O-])=C(C)S1	REAL300012023418	0	43	0.0	-46.99	351.27	9.01	-37.98
CC1=C(C[NH2+]CC2=CC=CC(OC3CC3)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023419	0	44	0.0	-55.40	370.67	10.06	-45.34
CCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C)=C1	REAL300012023420	0	46	0.0	-46.40	370.93	9.91	-36.49
CC1=C(C[NH2+]CC2=CC=CC(F)=C2OC(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023421	0	40	0.0	-44.18	348.98	8.84	-35.34
CC1=C(C[NH2+]CC2=CC(F)=CC=C2OC(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023422	0	40	0.0	-46.39	349.04	8.77	-37.62
COC1=NC=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023423	0	39	0.0	-49.69	330.53	5.82	-43.87
CC1=C(C[NH2+]CC2=CC=CC(C3CCCC3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023424	0	49	0.0	-44.63	388.98	12.26	-32.37
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CN(C)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023425	0	46	0.0	-55.11	388.05	8.06	-47.05
COCC1=CSC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023426	0	40	0.0	-46.27	350.30	7.87	-38.40
CC1=C(C[NH2+]CC2=CN(C3CCC3)N=N2)C(C(=O)[O-])=C(C)S1	REAL300012023427	1	42	0.0	-42.50	348.19	7.56	-34.94
CC1=C(C[NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023428	0	42	0.0	-48.85	386.54	10.58	-38.27
CC1=C(C[NH2+]CC2=CSC(C(F)(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023429	0	36	0.0	-51.51	335.37	9.19	-42.32
CC1=C(C[NH2+]CC2=CC=C(C(F)(F)F)O2)C(C(=O)[O-])=C(C)S1	REAL300012023430	0	36	0.0	-44.88	327.92	8.45	-36.43
CC1=C(C[NH2+]CC2=C(C(F)(F)F)SC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023431	0	36	0.0	-37.29	327.69	9.21	-28.08
CC1=C(C[NH2+]CC2=CC=C(F)C(F)=C2N(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023432	0	44	0.0	-52.78	364.41	9.11	-43.67
CC1=C(C[NH2+]CC2=C(F)C=CC(F)=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023433	1	36	0.0	-40.77	329.99	9.53	-31.24
CC1=C(C[NH2+]CC2=CC=C(OC3CCOC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023434	0	48	0.0	-48.20	391.32	8.73	-39.47
CC1=C(C[NH2+]CC2=CC(F)=C(N(C)C)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023435	0	44	0.0	-50.01	371.20	8.62	-41.39
COC(=O)C1=C2CCCCN2C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023436	0	50	0.0	-55.59	407.69	10.83	-44.76
CC1=C(C[NH2+]CC2=CC=C(F)C(F)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023437	0	36	0.0	-44.40	321.85	9.22	-35.18
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012023438	0	43	0.0	-50.06	372.98	9.34	-40.72
C=CCOC1=C(Cl)C=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OC	REAL300012023439	0	48	0.0	-53.60	418.22	10.42	-43.18
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OC1CC1	REAL300012023440	0	48	0.0	-50.68	394.54	9.92	-40.76
CCCN1N=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023441	0	42	0.0	-47.80	343.96	8.33	-39.47
CC1=C(C[NH2+]CC2=CC(C(F)(F)F)=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023442	0	39	0.0	-55.73	346.74	7.60	-48.13
COCC(C)OC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023443	0	50	0.0	-47.90	407.57	9.29	-38.61
CCCC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])S1	REAL300012023444	0	42	0.0	-41.65	359.84	10.52	-31.13
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023445	0	43	0.0	-48.48	372.12	11.67	-36.81
CC1=C(C[NH2+]CC2=CC=NN2CCC2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023446	0	49	0.0	-47.82	408.22	11.33	-36.49
CC1=C(C[NH2+]CC2=CC=CC(C(C)C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023447	0	45	0.0	-44.69	364.97	10.97	-33.72
CC1=C(C[NH2+]CC2=CN(C)N=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023448	0	36	0.0	-53.63	324.20	7.26	-46.37
CC1=C(C[NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023449	0	43	0.0	-57.32	376.74	9.79	-47.53
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1C(C)(C)C	REAL300012023450	0	52	0.0	-46.47	405.42	11.04	-35.43
CC1=C(C[NH2+]CC2=CC=CC(CC3CCC3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023451	0	49	0.0	-44.50	395.81	12.56	-31.94
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023452	0	44	0.0	-43.33	377.57	8.26	-35.07
CC1=C(C[NH2+]CC2=NC=C(Br)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023453	0	38	0.0	-41.20	339.57	8.41	-32.79
CC1=C(C[NH2+]CC2=C(Br)C=C(F)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023454	0	39	0.0	-38.78	346.87	10.34	-28.44
CC1=C(C[NH2+]CC2=C(O)C=CC=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023455	0	37	0.0	-45.30	332.53	6.75	-38.55
CC1=C(C[NH2+]CC2=CSC(C3=CN(C)N=C3)=N2)C(C(=O)[O-])=C(C)S1	REAL300012023456	1	42	0.0	-43.87	374.26	7.64	-36.23
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1Cl	REAL300012023457	0	40	0.0	-49.92	350.29	8.90	-41.02
CC1=C(C[NH2+]CC2=CC=NN2CC2CCC2)C(C(=O)[O-])=C(C)S1	REAL300012023458	0	46	0.0	-50.18	370.85	9.46	-40.72
CC1=C(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)C(C(=O)[O-])=C(C)S1	REAL300012023459	1	42	0.0	-44.86	365.32	8.99	-35.87
CC1=C(C[NH2+]CC2=CC=CC=C2CC(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023460	0	42	0.0	-45.29	354.04	10.63	-34.66
CC1=C(C[NH2+]CC2=CN(C)N=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023461	1	36	0.0	-52.59	328.24	7.32	-45.27
CC1=C(C[NH2+]CC2=CC=C(C)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023462	0	39	0.0	-49.39	331.74	9.76	-39.63
CC(=O)NC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023463	0	43	0.0	-50.97	360.86	7.95	-43.02
CC1=C(C[NH2+]CC2=CN=C3C(=C2)C=NN3C)C(C(=O)[O-])=C(C)S1	REAL300012023464	0	41	0.0	-56.21	349.06	8.18	-48.03
CC1=C(C[NH2+]CC2=NC=C(Br)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023465	1	35	0.0	-43.26	327.65	7.88	-35.38
COC1=CC(Cl)=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OC	REAL300012023466	0	44	0.0	-41.74	375.29	8.72	-33.02
CC1=C(C[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023467	0	42	0.0	-47.48	365.74	10.84	-36.64
CC1=C(C[NH2+]CC2=C3CCCCC3=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023468	0	46	0.0	-48.47	368.97	9.03	-39.44
CCOC(=O)C1=C(C)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C(C)N1	REAL300012023469	0	49	0.0	-44.73	404.81	9.43	-35.30
CC1=C(C)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CS1	REAL300012023470	0	39	0.0	-43.59	332.62	9.32	-34.27
CC1=C(C[NH2+]CC2=CN=C(Cl)C(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023471	0	35	0.0	-53.90	322.35	7.74	-46.16
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023472	0	46	0.0	-50.92	397.81	13.01	-37.91
CC1=C(C[NH2+]CC2=CC=C(Br)C(F)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023473	0	36	0.0	-43.37	336.16	9.77	-33.60
CC1=C(C[NH2+]CC2=C(Br)SC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023474	0	33	0.0	-37.88	312.76	8.69	-29.19
CCOC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C(F)C=C1OC	REAL300012023475	0	47	0.0	-43.24	389.82	9.22	-34.02
COC1=NC=C(Br)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023476	0	39	0.0	-47.47	351.81	6.44	-41.03
CC1=C(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)C(C(=O)[O-])=C(C)S1	REAL300012023477	0	42	0.0	-49.27	351.28	11.22	-38.05
CC1=C(C[NH2+]CC2=CC=CN=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023478	0	35	0.0	-39.38	315.28	7.74	-31.64
CC1=C(C[NH2+]CC2=CC=CC(Br)=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023479	0	36	0.0	-38.56	336.03	10.08	-28.48
CC1=C(C[NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023480	0	40	0.0	-55.98	355.70	9.00	-46.98
CC1=C(C[NH2+]CC2=CC(F)=CC=C2OC(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023481	0	46	0.0	-44.68	379.07	10.04	-34.64
CCOC1=CC(F)=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023482	0	43	0.0	-48.40	362.52	9.35	-39.05
CC1=C(C[NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023483	0	50	0.0	-59.70	401.99	10.09	-49.61
CC1=C(C[NH2+]CC2=CC=C(OC(F)F)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023484	0	40	0.0	-55.48	349.57	8.65	-46.83
CC1=C(C[NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023485	0	49	0.0	-48.39	385.15	10.19	-38.20
CC1=C(C[NH2+]CC2=CC=CC(Cl)=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023486	0	39	0.0	-47.52	333.61	10.12	-37.40
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C(F)C=C1C	REAL300012023487	0	43	0.0	-40.42	358.81	9.13	-31.29
CC1=C(C[NH2+]CC2=CC=C(C)C(Br)=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023488	0	42	0.0	-47.38	355.84	10.77	-36.61
CC1=C(C[NH2+]CC2=C(Br)C(C)=CC=N2)C(C(=O)[O-])=C(C)S1	REAL300012023489	1	38	0.0	-40.43	336.39	8.30	-32.13
CC1=C(C[NH2+]CC2=CC=C(NC(=O)OC(C)(C)C)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023490	0	53	0.0	-52.41	426.83	9.29	-43.12
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CC(F)=CC=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023491	0	46	0.0	-53.05	397.10	10.37	-42.68
CC1=C(C[NH2+]CC2=NC(C(C)(C)C)=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023492	1	44	0.0	-47.78	370.33	8.77	-39.01
COCCC1=NC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])S1	REAL300012023493	0	42	0.0	-47.67	366.61	6.84	-40.83
CC1=C(C[NH2+]CC2=CC(Br)=CC(F)=C2O)C(C(=O)[O-])=C(C)S1	REAL300012023494	1	37	0.0	-50.51	341.92	6.95	-43.56
CC1=C(C[NH2+]CC2=CC(F)=CC(F)=C2O)C(C(=O)[O-])=C(C)S1	REAL300012023495	1	37	0.0	-51.50	327.03	6.41	-45.09
CC1=C(C[NH2+]CC2=C3CSCCC3=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023496	0	44	0.0	-52.48	369.19	8.70	-43.78
CCN1C=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012023497	0	49	0.0	-43.81	405.69	11.09	-32.72
CC1=C(C[NH2+]CC2=CC=CC3=C2CCOC3)C(C(=O)[O-])=C(C)S1	REAL300012023498	0	44	0.0	-46.26	351.58	9.02	-37.24
COCC1=C(C)C=C(C)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1C	REAL300012023499	0	52	0.0	-43.65	407.12	10.23	-33.42
CC1=C(C[NH2+]CC2=CC=C3OC(=O)OC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023500	0	38	0.0	-54.64	332.51	9.60	-45.04
CC1=C(Br)C=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])S1	REAL300012023501	0	36	0.0	-45.04	337.33	9.55	-35.49
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023502	0	46	0.0	-48.21	395.69	12.98	-35.23
CC1=C(C[NH2+]CC2=CC=CC3=NC=CC=C23)C(C(=O)[O-])=C(C)S1	REAL300012023503	0	41	0.0	-50.04	340.85	9.30	-40.74
CCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1C	REAL300012023504	0	49	0.0	-46.27	397.68	10.82	-35.45
CC1=C(C[NH2+]CC2=CC3=NC=CN=C3C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023505	0	40	0.0	-50.49	340.79	7.47	-43.02
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1CN1C=CC=N1	REAL300012023506	0	50	0.0	-50.57	416.85	10.04	-40.53
CCOC1=CC=CC(F)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023507	0	43	0.0	-42.25	360.09	9.36	-32.89
CC1=C(C[NH2+]CC2=C(F)C(Br)=CC=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023508	0	39	0.0	-38.68	347.67	10.20	-28.48
CC1=C(C[NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023509	0	41	0.0	-59.25	345.93	10.25	-49.00
CC1=C(C[NH2+]CC2=C(C)C([N+](=O)[O-])=CC=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023510	0	44	0.0	-48.36	364.00	10.70	-37.66
COC1=CC=C(CN2C=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])N=N2)C=C1	REAL300012023511	1	49	0.0	-46.38	413.67	8.73	-37.65
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(F)=C1OC	REAL300012023512	0	44	0.0	-57.07	372.81	8.39	-48.68
COC(=O)C1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(F)=C1	REAL300012023513	0	42	0.0	-58.51	365.10	9.74	-48.77
CC1=C(C[NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023514	0	46	0.0	-52.40	391.40	9.43	-42.97
CC1=C(C[NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023515	0	50	0.0	-48.84	416.02	12.32	-36.52
CC1=C(C[NH2+]CC2=CC=CC=C2OCC(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023516	0	43	0.0	-51.21	367.76	9.67	-41.54
CC1=C(C[NH2+]CC2=CC=C(Cl)C=N2)C(C(=O)[O-])=C(C)S1	REAL300012023517	0	35	0.0	-41.44	316.48	7.72	-33.72
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023518	0	52	0.0	-49.13	420.07	12.06	-37.07
CC1=C(C[NH2+]CC2=C(C)C=C(C#N)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023519	0	43	0.0	-49.99	358.68	10.50	-39.49
CC1=C(C[NH2+]CC2=CN(CCF)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023520	0	39	0.0	-47.03	336.93	7.89	-39.14
CCCC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023522	0	45	0.0	-44.84	370.37	11.31	-33.53
CC1=C(C[NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)C(C(=O)[O-])=C(C)S1	REAL300012023523	1	42	0.0	-50.29	386.35	10.35	-39.94
COC1=CC=C(C2=NC(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])=CS2)C=C1	REAL300012023524	1	46	0.0	-50.55	399.07	9.14	-41.41
CC1=C2C=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])C=NC2=NN1	REAL300012023526	0	41	0.0	-54.38	347.82	7.58	-46.80
CC1=C(C[NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023527	0	44	0.0	-55.40	378.34	5.76	-49.64
CC1=C(C[NH2+]CC2=NN(C)C3=CC=CC=C32)C(C(=O)[O-])=C(C)S1	REAL300012023528	0	42	0.0	-43.24	355.95	9.01	-34.23
CC1=C(C[NH2+]CC2=C3C=CC=CC3=NN2)C(C(=O)[O-])=C(C)S1	REAL300012023529	0	39	0.0	-51.46	331.64	7.67	-43.79
CC1=C(C[NH2+]CC2=C(Cl)N=C(Cl)N2C)C(C(=O)[O-])=C(C)S1	REAL300012023530	1	36	0.0	-43.00	339.45	8.37	-34.63
CCC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])S1	REAL300012023531	0	39	0.0	-41.86	339.59	9.77	-32.09
CC1=C(C[NH2+]CC2=NC=CC3=CC=CC=C32)C(C(=O)[O-])=C(C)S1	REAL300012023532	0	41	0.0	-40.78	342.49	9.33	-31.45
CC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])N2C=CC=CC2=N1	REAL300012023533	0	42	0.0	-47.81	352.13	10.04	-37.77
CC1=C(C[NH2+]CC(C)(C)CN(C)CC2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023534	0	56	0.0	-44.58	426.54	11.15	-33.43
CCC1=NC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])S1	REAL300012023535	0	38	0.0	-46.26	332.94	7.77	-38.49
COC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])SC=C1	REAL300012023536	0	37	0.0	-42.81	324.88	7.46	-35.35
CC1=C(C[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C(C(=O)[O-])=C(C)S1	REAL300012023537	0	42	0.0	-49.93	360.94	7.30	-42.63
CC1=C(C[NH2+]CC2=CSC=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023538	0	33	0.0	-47.43	310.63	8.49	-38.94
CC1=NN2C(=NC(C)=C2C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])S1	REAL300012023539	0	41	0.0	-51.90	360.35	8.27	-43.63
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])S1	REAL300012023540	0	47	0.0	-44.08	401.11	9.51	-34.57
CCCC(C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-])C1=CC=CC=C1	REAL300012023541	0	48	0.0	-45.17	383.03	11.81	-33.36
CC1=C(C[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C(C(=O)[O-])=C(C)S1	REAL300012023542	0	41	0.0	-39.88	358.51	9.98	-29.90
CC1=C(C[NH2+]CC2=CC=C(C(F)(F)F)S2)C(C(=O)[O-])=C(C)S1	REAL300012023543	0	36	0.0	-51.15	335.65	9.35	-41.80
CC1=C(C[NH2+]CC2=CC=C(N(C)C)C=C2C(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023544	0	47	0.0	-44.49	385.77	10.53	-33.96
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023545	0	46	0.0	-50.55	387.00	11.68	-38.87
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023546	0	45	0.0	-43.50	394.98	10.64	-32.86
CC1=C(C[NH2+]CC2CCC(C(C)C)CC2)C(C(=O)[O-])=C(C)S1	REAL300012023547	0	51	0.0	-43.24	381.66	11.11	-32.13
CC1=C(C[NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)C(C(=O)[O-])=C(C)S1	REAL300012023548	0	39	0.0	-43.11	365.90	10.43	-32.68
CC1=C(C[NH2+]CC2=CN3C=CC(Br)=CC3=N2)C(C(=O)[O-])=C(C)S1	REAL300012023549	0	39	0.0	-55.32	353.07	10.17	-45.15
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023550	0	47	0.0	-48.71	391.39	10.45	-38.26
COCC1=CC=CC=C1C=C(C)C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023551	0	50	0.0	-46.78	403.86	10.67	-36.11
CC1=C(C[NH2+]CC2=CC=CC=C2C2=CC=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023552	0	46	0.0	-51.81	376.44	9.83	-41.98
CC1=C(C[NH2+]CC2=CON=C2CC2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023553	0	45	0.0	-51.36	380.16	10.79	-40.57
CC1=C(C[NH2+]CC2=C(Cl)N(C)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023554	0	36	0.0	-42.88	323.40	7.17	-35.71
CC1=C(C[NH2+]CC2=CC3=CC=CN=C3O2)C(C(=O)[O-])=C(C)S1	REAL300012023555	0	38	0.0	-57.34	327.43	6.52	-50.82
COC1=CC=C(N2C=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])C=N2)C=C1	REAL300012023556	0	47	0.0	-54.25	393.07	9.56	-44.69
CC1=C(C[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C(C(=O)[O-])=C(C)S1	REAL300012023557	0	38	0.0	-56.57	344.19	7.01	-49.56
CC1=C(C[NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023558	0	43	0.0	-44.41	352.53	11.10	-33.31
CC1=C(C[NH2+]CC2=CC=NC=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023559	0	35	0.0	-39.91	315.57	7.86	-32.05
CC1=C(C[NH2+]CC2=CC=C(S(C)(=O)=O)S2)C(C(=O)[O-])=C(C)S1	REAL300012023560	0	39	0.0	-52.37	357.85	5.74	-46.63
CC1=C(C[NH2+]CC2=CC=NN2C2=CC=CC=N2)C(C(=O)[O-])=C(C)S1	REAL300012023561	0	42	0.0	-42.02	356.93	9.74	-32.28
CC1=C(C[NH2+]CC2=CC=C(S(N)(=O)=O)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023562	0	41	0.0	-48.92	363.51	4.05	-44.87
CC1=C(C[NH2+]CC2=NC=CN2C(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023564	1	42	0.0	-39.39	345.61	8.87	-30.52
CC1=C(C[NH2+]CC2=CN=CC(Br)=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023565	0	38	0.0	-47.53	333.21	8.41	-39.12
CC1=C(C[NH2+]CC2=C(C(F)(F)F)C=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023566	0	39	0.0	-40.95	343.65	7.68	-33.27
CC1=C(C[NH2+]CC2=C(C3CC3)C=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023567	0	43	0.0	-46.59	356.71	8.73	-37.86
CC1=C(C[NH2+]CC2=C(C3CCC3)C=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023568	0	46	0.0	-46.90	371.84	9.20	-37.70
CC1=C(C[NH2+]CC2=CC3=C(C)C=CC=C3N2)C(C(=O)[O-])=C(C)S1	REAL300012023569	0	43	0.0	-48.05	357.58	9.64	-38.41
CC1=C(C[NH2+]CC2=CC=NN2C2=CC=NC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023570	0	42	0.0	-45.33	355.99	8.20	-37.13
CC1=C(C[NH2+]CC2=CC3=CC=C(C)C=C3N2)C(C(=O)[O-])=C(C)S1	REAL300012023571	0	43	0.0	-48.81	358.00	9.65	-39.16
CCOC1=CN=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023572	0	42	0.0	-49.17	351.04	7.46	-41.71
CC1=C(C[NH2+]CC2=CC=NC=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023573	0	35	0.0	-40.76	311.97	7.76	-33.00
CC1=C(C[NH2+]CC2=CC=NN2C2CCOCC2)C(C(=O)[O-])=C(C)S1	REAL300012023574	0	47	0.0	-52.51	380.42	7.68	-44.83
CC1=C(C[NH2+]CC2=CC=CC3=NNC=C32)C(C(=O)[O-])=C(C)S1	REAL300012023575	0	39	0.0	-49.63	330.87	7.75	-41.88
CCC(F)(F)C(C)(C)C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023576	0	44	0.0	-43.59	344.26	9.44	-34.15
CC1=C(C[NH2+]CC2=CC=C3C=CNC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023577	0	40	0.0	-46.98	336.12	9.08	-37.90
CC1=C(C[NH2+]CC2=CC3=C(C=CNC3=O)O2)C(C(=O)[O-])=C(C)S1	REAL300012023578	0	39	0.0	-57.32	337.36	6.54	-50.78
CC1=C(C[NH2+]CC2=CC=C(C(F)F)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023579	0	38	0.0	-50.72	334.17	8.14	-42.58
CC1=C(C[NH2+]CC2=CC(C#N)=CC=C2N(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023580	0	45	0.0	-47.32	377.90	9.47	-37.85
CC1=C(C[NH2+]CC2=CN(CC3CCOC3)N=N2)C(C(=O)[O-])=C(C)S1	REAL300012023581	1	46	0.0	-45.44	379.22	6.50	-38.94
COC1=CN=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1C	REAL300012023582	0	42	0.0	-47.66	343.25	7.22	-40.44
CC1=C(C[NH2+]CC=CC2=C(C)C=C(C)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023583	0	49	0.0	-46.66	396.01	12.22	-34.44
CC1=C(C[NH2+]CC(CC(F)F)NC(=O)OC(C)(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023584	0	52	0.0	-50.39	414.98	7.90	-42.49
CC1=C(C[NH2+]CC2=CN(CC3CCCO3)N=N2)C(C(=O)[O-])=C(C)S1	REAL300012023585	1	46	0.0	-44.43	381.01	6.68	-37.75
CCCN1C=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])N=N1	REAL300012023586	1	41	0.0	-43.17	344.47	7.16	-36.01
CC1=C(C[NH2+]CC2=CC(F)=CC=C2N(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023587	0	44	0.0	-43.41	363.80	9.13	-34.28
CC1=C(C[NH2+]CC2=CN(C3CC3)C=N2)C(C(=O)[O-])=C(C)S1	REAL300012023588	1	40	0.0	-49.91	336.15	9.69	-40.22
CC1=C(C[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023589	0	41	0.0	-59.63	352.17	9.49	-50.14
CC1=C(C[NH2+]CC=CC2=C(C)C=C(C)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023590	0	49	0.0	-46.74	392.37	12.10	-34.64
CC1=C(C[NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023591	0	41	0.0	-56.11	360.22	4.04	-52.07
CC1=C(C[NH2+]CC2=CN=C(C3CC3)O2)C(C(=O)[O-])=C(C)S1	REAL300012023592	0	39	0.0	-46.28	334.72	6.39	-39.89
CC1=C(C[NH2+]CC2=NC=CC3=C2CCCC3)C(C(=O)[O-])=C(C)S1	REAL300012023593	0	45	0.0	-38.93	357.71	9.55	-29.38
CC1=NN(C)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1Cl	REAL300012023594	1	39	0.0	-42.37	345.09	7.75	-34.62
CC1=C(C[NH2+]CC2=CSC(C3=NN(C)C=C3)=N2)C(C(=O)[O-])=C(C)S1	REAL300012023595	1	42	0.0	-58.37	374.39	7.51	-50.86
CC1=C(C[NH2+]CC2=CN(C)N=C2C2CCCC2)C(C(=O)[O-])=C(C)S1	REAL300012023596	0	49	0.0	-48.91	394.32	10.00	-38.91
CC1=C(C[NH2+]CC2=C(Br)C(C)=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023597	0	39	0.0	-46.05	339.24	10.18	-35.87
CC1=C(C[NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023598	0	47	0.0	-46.32	399.88	11.97	-34.35
CC1=C(C[NH2+]CC2=CC=C3OCCCC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023599	0	44	0.0	-46.56	358.45	9.68	-36.88
CC1=C(C[NH2+]CC2=CC=CC(C(=O)N(C)C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023600	0	46	0.0	-59.21	377.32	8.87	-50.34
CCC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(Cl)=NN1	REAL300012023601	0	39	0.0	-39.80	342.82	7.17	-32.63
CC1=C(C[NH2+]CC2=C(C3CC3)NN=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023602	0	40	0.0	-39.72	351.12	8.00	-31.72
CCC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C)=NO1	REAL300012023603	0	41	0.0	-49.17	340.47	8.67	-40.50
CC1=C(C[NH2+]CC2=C3CCCCC3=NC(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023604	0	48	0.0	-47.03	377.33	10.24	-36.79
CC1=C(C[NH2+]CC2=CC=CC=C2N2CCCCC2)C(C(=O)[O-])=C(C)S1	REAL300012023605	0	51	0.0	-42.58	394.90	10.99	-31.59
CCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])O1	REAL300012023606	0	40	0.0	-48.74	340.39	8.55	-40.19
CC1=C(C[NH2+]CC2=CSC(C(F)(F)F)=N2)C(C(=O)[O-])=C(C)S1	REAL300012023607	1	35	0.0	-55.62	330.43	7.15	-48.47
CC1=C(C[NH2+]CC2=CN=C(F)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023608	0	38	0.0	-54.79	326.39	7.83	-46.96
CC1=C(C[NH2+]CC2=CN=C(F)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023609	0	38	0.0	-48.45	321.27	7.84	-40.61
CC1=C(C[NH2+]CC2=CC=C(C(F)F)C(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023610	0	39	0.0	-49.78	343.96	10.01	-39.77
COC(=O)C1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1C	REAL300012023611	0	45	0.0	-52.92	375.59	10.25	-42.67
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C)=C1	REAL300012023612	0	43	0.0	-46.48	349.08	8.98	-37.50
CC1=C(C[NH2+]CC2=CC=C(Cl)C(C)=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023613	0	39	0.0	-48.93	350.24	10.51	-38.42
CC1=C(C[NH2+]CC2=CC(C#N)=CC=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023614	0	37	0.0	-44.32	340.96	10.02	-34.30
CC1=C(C[NH2+]CC2=CC=C3OC(C)CC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023615	0	44	0.0	-48.97	361.64	9.63	-39.34
CC1=C(C[NH2+]CC2=CC=CC3=C2OC(=O)N3)C(C(=O)[O-])=C(C)S1	REAL300012023616	0	39	0.0	-62.97	336.50	6.55	-56.42
CC1=C(C[NH2+]CC2=CC=CC3=C2OCC3)C(C(=O)[O-])=C(C)S1	REAL300012023617	0	41	0.0	-47.34	340.52	8.87	-38.47
CSCC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023618	0	43	0.0	-46.75	372.10	10.98	-35.77
CC1=C(C[NH2+]CC2=CN(CC3CCC3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023619	0	46	0.0	-51.03	377.00	9.80	-41.23
CC1=C(C[NH2+]CC2=C3COCCC3=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023620	0	44	0.0	-51.86	360.09	6.64	-45.22
CC1=C(C[NH2+]CC2=C3CCCC3=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023621	0	43	0.0	-48.03	351.49	8.53	-39.50
CC1=C(C[NH2+]CC2=CC=NN2C2CCC2)C(C(=O)[O-])=C(C)S1	REAL300012023622	0	43	0.0	-50.15	354.77	8.88	-41.27
CC1=C(C[NH2+]CC2=CN(C3CCC3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023623	0	43	0.0	-45.36	354.16	8.87	-36.49
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023624	0	49	0.0	-53.36	405.58	10.69	-42.67
COC(=O)COC1=CC=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023625	0	46	0.0	-54.32	389.25	10.01	-44.31
COC1=CC=C(C)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023626	0	43	0.0	-42.95	349.07	8.97	-33.98
CC1=C(C[NH2+]CC2=C3C(=CC=C2)N=CN3C)C(C(=O)[O-])=C(C)S1	REAL300012023627	0	42	0.0	-47.13	338.26	10.16	-36.97
CCC1=CC=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023628	0	42	0.0	-43.64	338.31	10.34	-33.30
CC1=C(C[NH2+]CC2=CC=C(C(=O)N(C)C)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023629	0	46	0.0	-58.64	377.04	8.94	-49.70
CC1=C(C[NH2+]CC2=CC(C)=CC(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023630	0	39	0.0	-45.22	332.57	9.79	-35.43
CC1=C(C[NH2+]CC2=CC=C(C)C(C)=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023631	0	45	0.0	-43.18	354.30	10.78	-32.40
CCNC(=O)C1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023632	0	46	0.0	-57.59	383.94	8.21	-49.38
CC1=C(C[NH2+]CC2=CC=CC=C2C(C)(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023633	0	48	0.0	-40.07	355.25	11.31	-28.76
CC1=C(C[NH2+]CC2=CN=C3CCCCCN23)C(C(=O)[O-])=C(C)S1	REAL300012023634	0	46	0.0	-51.41	360.83	9.45	-41.96
COC1=CC=C2SC(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])=CC2=C1	REAL300012023635	0	43	0.0	-46.31	372.94	9.92	-36.39
CC1=C(C[NH2+]CC2=CON=C2C2CC2)C(C(=O)[O-])=C(C)S1	REAL300012023636	0	39	0.0	-51.15	334.12	8.70	-42.45
CCN(CC)C(=O)C1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023637	0	52	0.0	-58.13	415.77	10.79	-47.34
CCN1CCC2=CC(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])=CC=C21	REAL300012023638	0	48	0.0	-46.37	384.06	9.68	-36.69
CCN(C)C(=O)C1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023639	0	49	0.0	-58.48	397.61	9.91	-48.57
CC1=C(C[NH2+]CC2=C(C)N(C(C)C)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023640	0	45	0.0	-43.59	367.69	8.82	-34.77
CSC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1Cl	REAL300012023641	0	40	0.0	-52.21	359.98	10.52	-41.69
CC1=C(C[NH2+]CC2=CC=C(C3CC3)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023642	0	46	0.0	-44.97	371.78	11.67	-33.30
CCOC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=N1	REAL300012023643	0	42	0.0	-52.05	353.69	6.69	-45.36
CC1=C(C[NH2+]CC2=CC=C(C)C(C3CC3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023644	0	46	0.0	-44.52	371.19	11.68	-32.84
CC1=NN(C2=CC=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])C(C)=C2)C=C1	REAL300012023645	0	49	0.0	-54.18	400.42	11.38	-42.80
CC1=C(C[NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023646	0	42	0.0	-49.64	377.18	10.96	-38.68
CC1=C(C[NH2+]CC2=CC=C(N3C=C(Cl)C=N3)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023647	0	46	0.0	-52.46	395.12	11.37	-41.09
CCC1=CC(Br)=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])S1	REAL300012023648	0	39	0.0	-43.66	357.79	10.27	-33.39
CC1=NN(C2=CC=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])C=C2)C=C1Cl	REAL300012023649	0	46	0.0	-54.25	402.90	11.37	-42.88
COC(=O)C1=CC2=C(C=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])O2)N1	REAL300012023650	0	43	0.0	-48.59	373.34	7.84	-40.75
COCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])O1	REAL300012023651	0	44	0.0	-50.11	374.02	7.79	-42.32
CC1=C(C[NH2+]CC(C)(C)C2=CC=C(Br)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023652	0	45	0.0	-45.81	374.11	11.39	-34.42
CC1=NN(C(C)C)C(C)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023653	0	48	0.0	-49.11	388.20	9.36	-39.75
CC1=C(C[NH2+]CC2=NN(CCF)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023654	1	39	0.0	-42.69	335.75	7.77	-34.92
CCN1C=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C)=N1	REAL300012023655	0	42	0.0	-49.67	348.75	8.31	-41.36
CC1=C(C[NH2+]CC2=CC(Cl)=CC(Br)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023656	0	36	0.0	-47.79	342.78	10.17	-37.62
CC1=C(C[NH2+]CC2=CC=CC=C2C2=CC=C(C)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023657	0	52	0.0	-44.55	415.59	13.55	-31.00
CC1=C(C[NH2+]CC2=CN(C)N=C2C2CC2)C(C(=O)[O-])=C(C)S1	REAL300012023658	0	43	0.0	-46.27	359.58	9.03	-37.24
COC1=CC=CC(C2=CSC(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])=N2)=C1	REAL300012023659	0	46	0.0	-51.68	398.58	9.16	-42.52
COC(=O)C1=C2COCCN2C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023660	0	48	0.0	-56.37	399.42	8.46	-47.91
CC1=C(C[NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023661	0	53	0.0	-58.15	420.79	11.02	-47.13
CC1=C(C[NH2+]CC2=CC(C3CC3)=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023662	0	43	0.0	-48.17	357.10	8.69	-39.48
CC1=C(C[NH2+]CC2=CC=C(N3C=CN=C3)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023663	0	46	0.0	-51.51	376.08	11.98	-39.53
CC1=C(C[NH2+]CC2=CON=C2C(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023664	0	41	0.0	-50.76	344.24	8.38	-42.38
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)C(C(=O)[O-])=C(C)S1	REAL300012023665	0	40	0.0	-49.07	357.14	7.87	-41.20
CC1=C(C[NH2+]CC2=CN=C(C3CCOCC3)O2)C(C(=O)[O-])=C(C)S1	REAL300012023666	0	46	0.0	-48.23	377.03	5.51	-42.72
COC1=NC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1F	REAL300012023667	0	39	0.0	-57.12	337.42	5.81	-51.31
CC1=C(C[NH2+]CC2=C(Cl)C=CC=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023668	1	36	0.0	-38.76	336.88	9.96	-28.80
CC1=C(C[NH2+]CC2=CC=C(F)C(Br)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023669	0	36	0.0	-43.30	335.57	9.75	-33.55
CC1=C(C[NH2+]CC2=CN3C=CN=C3S2)C(C(=O)[O-])=C(C)S1	REAL300012023670	0	36	0.0	-51.68	323.38	9.05	-42.63
CC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012023671	0	48	0.0	-42.77	388.70	10.62	-32.15
CC1=C(C)SC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=N1	REAL300012023672	0	38	0.0	-47.78	331.48	7.53	-40.25
CC1=C(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)C(C(=O)[O-])=C(C)S1	REAL300012023673	1	45	0.0	-44.51	382.91	9.40	-35.11
CC1=C(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C(C(=O)[O-])=C(C)S1	REAL300012023674	0	56	0.0	-49.93	429.70	10.12	-39.81
CC1=C(C[NH2+]CC2=NC=C(Br)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023675	0	38	0.0	-39.76	337.31	8.40	-31.36
CC1=C(C[NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023676	0	42	0.0	-56.61	378.63	6.97	-49.64
CC1=C(C[NH2+]CC2=CC=C3OC(C)C(C)C3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023677	0	47	0.0	-48.85	378.16	10.15	-38.70
CC1=C(C[NH2+]CC2=CC=C(C)C(OC(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023678	0	43	0.0	-43.30	364.09	9.38	-33.92
CC1=C(C[NH2+]CC2=CC=CC=C2CC(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023679	0	48	0.0	-43.48	374.43	11.46	-32.02
CC1=C(C[NH2+]CC2=C(S(C)(=O)=O)N(C)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023680	1	42	0.0	-51.59	357.30	4.41	-47.18
CC1=C(C[NH2+]CC2=C(C)C(C(F)(F)F)=NN2)C(C(=O)[O-])=C(C)S1	REAL300012023681	0	39	0.0	-52.23	343.71	7.04	-45.19
CC1=C(C[NH2+]CC2=CN(CC(C)C)N=N2)C(C(=O)[O-])=C(C)S1	REAL300012023682	1	44	0.0	-42.91	364.27	7.91	-35.00
CC1=C(C[NH2+]CC2=NC(C3CC3)=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023683	1	39	0.0	-48.88	341.64	8.30	-40.58
CC1=C(C[NH2+]CC2=CC(C(F)(F)F)=NN2)C(C(=O)[O-])=C(C)S1	REAL300012023684	0	36	0.0	-51.95	325.84	6.38	-45.57
CC1=C(C[NH2+]CC2=CC=C3CCOC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023685	0	41	0.0	-50.21	340.61	8.90	-41.31
CC1=C(C[NH2+]CC2=C(S(C)(=O)=O)SC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023687	1	39	0.0	-43.15	344.40	5.96	-37.19
CSC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023688	0	40	0.0	-48.89	344.97	10.07	-38.82
CC1=C(C[NH2+]CC2=C(C(C)C)C=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023689	0	45	0.0	-46.63	368.16	8.58	-38.05
CC1=C(C[NH2+]CC2=CC(C)=NC(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023690	0	41	0.0	-48.93	342.86	8.50	-40.43
CC1=C(Br)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C(C)S1	REAL300012023691	0	39	0.0	-36.39	352.55	9.98	-26.41
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CC=CC(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023692	0	46	0.0	-53.32	390.41	10.26	-43.06
CCCN1C=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C)=N1	REAL300012023693	0	45	0.0	-45.69	370.28	9.06	-36.63
CC1=C(C[NH2+]CC2=CC3=NC=CC=C3O2)C(C(=O)[O-])=C(C)S1	REAL300012023694	0	38	0.0	-51.85	327.41	7.76	-44.09
CC1=C(C[NH2+]CC2=CC=C(CC3CC3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023695	0	43	0.0	-41.83	369.95	11.30	-30.53
CC1=C(C[NH2+]CC2=CC=C(OC3CC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023696	0	44	0.0	-46.98	366.53	10.06	-36.92
CC1=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023697	0	40	0.0	-51.33	356.31	8.87	-42.46
CC1=C(C[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023698	0	42	0.0	-51.72	375.95	10.93	-40.79
CC1=NC=CN1C1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C)=C1	REAL300012023699	0	49	0.0	-52.24	399.94	12.07	-40.17
CC1=C(C)N(C2=CC=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])C=C2)C=N1	REAL300012023700	0	49	0.0	-53.82	402.48	12.66	-41.16
CNC(=O)C1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023701	0	43	0.0	-58.52	361.23	7.32	-51.20
CC1=C(C[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023702	0	50	0.0	-44.91	399.73	13.08	-31.83
CCNC(=O)C1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023704	0	46	0.0	-58.18	382.72	8.17	-50.01
CC1=C(C[NH2+]CC2=C(C)C3=CC(F)=CC=C3O2)C(C(=O)[O-])=C(C)S1	REAL300012023705	0	42	0.0	-50.70	359.47	10.26	-40.44
CC1=C(C[NH2+]CC2=CC(C3CCC3)=NN2)C(C(=O)[O-])=C(C)S1	REAL300012023706	0	43	0.0	-49.98	353.12	8.00	-41.98
CC1=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023707	0	46	0.0	-52.62	386.07	10.21	-42.41
CCCN1C=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=N1	REAL300012023708	1	42	0.0	-48.48	350.68	8.38	-40.10
CC1=C(C[NH2+]CC2=NN(C(C)C)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023709	1	42	0.0	-48.21	347.86	8.13	-40.08
CC1=C(C[NH2+]CC2=CN=CC(C(C)(C)C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023710	0	47	0.0	-49.28	376.15	9.55	-39.73
CC1=C(C[NH2+]CC2=NN(CC(F)(F)F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023711	1	39	0.0	-53.44	347.06	8.11	-45.33
CC1=C(C[NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)C(C(=O)[O-])=C(C)S1	REAL300012023712	0	46	0.0	-47.07	373.33	10.97	-36.10
CC1=C(C[NH2+]CC2=NC3=C(CCCC3)N2C)C(C(=O)[O-])=C(C)S1	REAL300012023713	1	46	0.0	-53.90	368.72	9.76	-44.14
COC1=NC(Cl)=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023714	0	39	0.0	-52.63	347.35	6.25	-46.38
CC1=C(C[NH2+]CC2=CN(C)N=C2C(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023715	0	39	0.0	-57.66	343.21	7.90	-49.76
CC1=C(C[NH2+]CC2=CC=CC(C(F)F)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023716	0	39	0.0	-54.65	340.58	9.93	-44.72
CC1=C(C[NH2+]CC2=CC=CC3=C2COCC3)C(C(=O)[O-])=C(C)S1	REAL300012023717	0	44	0.0	-47.48	351.48	9.05	-38.43
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023718	0	43	0.0	-44.41	371.48	9.85	-34.56
COC1=NN(C)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023719	0	40	0.0	-41.77	340.49	4.78	-36.99
CC1=C(C[NH2+]CC2=NC3=C(COCC3)S2)C(C(=O)[O-])=C(C)S1	REAL300012023720	1	40	0.0	-49.98	345.42	6.42	-43.56
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023721	0	43	0.0	-42.09	367.64	8.98	-33.11
CC1=C(C[NH2+]CC2=CC3=C(CCCC3)O2)C(C(=O)[O-])=C(C)S1	REAL300012023722	0	43	0.0	-46.89	349.06	9.87	-37.02
CC1=C(C[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C(C)S1	REAL300012023723	0	38	0.0	-58.82	339.38	9.79	-49.03
CC1=C(C[NH2+]CC2=CN(C3CCCCC3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023724	0	49	0.0	-44.79	389.40	10.10	-34.69
CC1=C(C[NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023725	0	43	0.0	-44.36	378.65	10.52	-33.84
CC1=C(C[NH2+]CC2=C(F)C=C(Br)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023726	1	36	0.0	-43.10	337.90	9.75	-33.35
CC1=C(C[NH2+]CC2=CC=C(N(C)CCO)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023727	0	47	0.0	-47.95	384.33	6.62	-41.33
COC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012023728	0	52	0.0	-45.57	398.13	10.78	-34.79
CC1=C(C[NH2+]CC2=NC(Br)=CN2C)C(C(=O)[O-])=C(C)S1	REAL300012023729	1	36	0.0	-56.99	327.36	7.94	-49.05
COC1=CC(C)=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=N1	REAL300012023730	0	42	0.0	-47.06	347.03	6.38	-40.68
COC1=CC(C)=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1O	REAL300012023731	0	44	0.0	-46.72	359.76	6.81	-39.91
CC1=C(C[NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C(C(=O)[O-])=C(C)S1	REAL300012023732	0	42	0.0	-40.35	361.51	8.16	-32.19
CC1=C(C[NH2+]CC2=CC3=CC=CC=C3N(C)C2=O)C(C(=O)[O-])=C(C)S1	REAL300012023733	0	45	0.0	-38.95	371.23	9.82	-29.13
COC1=NC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1C	REAL300012023734	0	42	0.0	-41.48	352.06	6.44	-35.04
CCCN1C=NC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023735	0	42	0.0	-48.76	344.28	9.98	-38.78
CC1=C(C[NH2+]CC2=C(C)C=C(C)C(Br)=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023736	0	45	0.0	-46.42	374.20	11.20	-35.22
CC1=C(C[NH2+]CC=CC2=CC=C3OCOC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023737	0	43	0.0	-52.56	361.86	9.01	-43.55
CC1=C(C[NH2+]CC2=CC=C(CC3CCC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023738	0	49	0.0	-44.72	397.10	12.61	-32.11
CCC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=NN1CC	REAL300012023739	0	45	0.0	-47.52	364.14	8.95	-38.57
CC1=C(C[NH2+]CC2=C(F)C=CC(Cl)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023740	1	36	0.0	-45.09	331.58	9.58	-35.51
CC1=C(C[NH2+]CC2=CC=CC(NC(=O)OC(C)(C)C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023741	0	53	0.0	-49.98	426.57	9.30	-40.68
CC1=C(C[NH2+]CC2=CC(C3CC3)=NN2)C(C(=O)[O-])=C(C)S1	REAL300012023742	0	40	0.0	-50.03	337.59	7.55	-42.48
CC1=C(C[NH2+]CC2=CC=NN2C2CC2(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023743	0	40	0.0	-50.20	348.48	8.59	-41.61
COC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=CS1	REAL300012023744	0	37	0.0	-44.81	327.54	7.51	-37.30
CC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012023745	0	39	0.0	-51.56	344.61	8.88	-42.68
CC1=C(C[NH2+]CC2=CC=CC(C(C)(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023746	0	42	0.0	-50.57	357.96	10.57	-40.00
CC1=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023747	0	42	0.0	-52.38	367.68	9.83	-42.55
CC1=C(C[NH2+]CC2=CNN=C2C2=CN(C)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023748	0	43	0.0	-55.39	365.11	6.75	-48.64
CCCN1N=C(C)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1Cl	REAL300012023749	0	45	0.0	-46.43	386.21	9.32	-37.11
CC1=C(C[NH2+]CC2=CN=C(C(C)(C)C#N)S2)C(C(=O)[O-])=C(C)S1	REAL300012023750	0	42	0.0	-45.49	372.66	8.43	-37.06
CC1=C(C[NH2+]CC2=C(F)C=C(C#N)C=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023751	1	37	0.0	-45.08	348.93	9.95	-35.13
CC1=C(C[NH2+]CC2=CC(F)=CC(F)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023752	0	36	0.0	-53.52	323.03	9.21	-44.31
CC1=C(C[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023753	0	43	0.0	-47.44	371.55	11.51	-35.93
CC1=C(C[NH2+]CC2=CC(C(C)(C)C)=NN2)C(C(=O)[O-])=C(C)S1	REAL300012023754	0	45	0.0	-48.13	366.74	7.89	-40.24
CC1=C(C[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C(C(=O)[O-])=C(C)S1	REAL300012023755	0	42	0.0	-49.24	362.43	11.69	-37.55
CC1=C(C[NH2+]CC2=CC=CC=C2OC2CCCCC2)C(C(=O)[O-])=C(C)S1	REAL300012023756	0	53	0.0	-45.11	414.32	11.89	-33.22
C=CCC1=CC=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023757	0	43	0.0	-44.49	351.87	10.92	-33.57
CC1=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C(C(=O)[O-])=C(C)S1	REAL300012023758	0	56	0.0	-45.20	434.94	12.56	-32.64
COC1=CC=CC(OC2=CC=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])C=C2)=C1	REAL300012023759	0	51	0.0	-51.94	424.19	11.23	-40.71
CCN1CCCC2=CC(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])=CC=C21	REAL300012023760	0	51	0.0	-45.32	393.69	10.07	-35.25
COCC1=CN=C(OC)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023761	0	46	0.0	-41.47	384.68	5.58	-35.89
CC1=C(C[NH2+]CC2=C(Br)N(C)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023762	1	36	0.0	-42.42	327.51	7.25	-35.17
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023763	0	51	0.0	-52.58	424.89	11.86	-40.72
CC1=C(C[NH2+]CC=CC2=CC=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023764	0	40	0.0	-46.60	335.80	10.35	-36.25
CC1=C(C[NH2+]CC2=CN=NN2C2CC2)C(C(=O)[O-])=C(C)S1	REAL300012023765	0	39	0.0	-56.26	332.48	7.10	-49.16
COCC1=CC=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023766	0	43	0.0	-45.83	351.19	8.90	-36.93
CC1=C(C[NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023767	0	49	0.0	-45.88	413.87	13.77	-32.11
CC1=C(C[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023768	0	40	0.0	-49.85	361.15	10.51	-39.34
CC1=C(C[NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)C(C(=O)[O-])=C(C)S1	REAL300012023769	0	49	0.0	-48.97	397.96	9.72	-39.25
CC1=C(C[NH2+]CC2=CC=C3CCOCC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023770	0	44	0.0	-47.04	358.46	9.14	-37.90
CC1=C(C[NH2+]CC2=CN(CCO)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023771	0	40	0.0	-47.79	341.76	4.40	-43.39
CC1=C(C[NH2+]CC2=C(C)C3=CC=C(F)C=C3S2)C(C(=O)[O-])=C(C)S1	REAL300012023772	0	42	0.0	-43.19	365.45	11.15	-32.04
CC1=C(C[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C(C(=O)[O-])=C(C)S1	REAL300012023773	0	42	0.0	-54.64	359.37	7.23	-47.41
COC1=CC=C(F)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1OC	REAL300012023774	1	44	0.0	-42.72	369.06	8.34	-34.38
CC1=C(C[NH2+]CC=CC2=CC=NC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023775	0	39	0.0	-50.30	330.81	8.60	-41.70
CC1=C(C[NH2+]CC2=CNN=C2C2=NN(C)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023776	0	43	0.0	-46.42	358.13	6.95	-39.47
CC1=C(C[NH2+]CC2=C(Br)C(C)=CC=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023777	1	39	0.0	-39.72	346.36	10.14	-29.58
C=CC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023778	0	40	0.0	-45.71	335.88	10.14	-35.57
CC1=C(C[NH2+]CC2=CC=CC(OCC3CCC3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023779	0	50	0.0	-48.30	404.35	11.41	-36.89
CC1=C(C[NH2+]CC2=CC=CC=C2C(C)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023780	0	42	0.0	-42.70	345.22	10.59	-32.11
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC=C1OCCO	REAL300012023781	0	48	0.0	-52.14	396.73	6.09	-46.05
CCN1C=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C2CC2)=N1	REAL300012023782	0	46	0.0	-45.81	381.13	9.89	-35.92
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1OCCO	REAL300012023783	0	48	0.0	-52.79	396.73	6.09	-46.70
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CC=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023784	0	46	0.0	-57.32	389.32	8.01	-49.31
CC1=C(C[NH2+]CC2=CON=C2C(C)(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023785	0	44	0.0	-48.76	348.41	8.83	-39.93
CC1=C(C[NH2+]CC2=CC3=CN=CC=C3C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023786	0	41	0.0	-51.25	345.75	9.53	-41.72
CC1=CC2=CC=CC(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])=C2O1	REAL300012023787	0	42	0.0	-50.02	353.98	10.20	-39.82
CC1=C(C[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023788	0	39	0.0	-46.30	338.60	10.16	-36.14
CC1=C(C[NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023789	0	43	0.0	-45.26	379.66	9.83	-35.43
COC1=CSC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1OC	REAL300012023790	0	41	0.0	-45.76	353.90	7.21	-38.55
CC1=C(C[NH2+]CC2=CON=C2C2CCC2)C(C(=O)[O-])=C(C)S1	REAL300012023791	0	42	0.0	-48.52	349.48	9.12	-39.40
CC1=C(C[NH2+]CC2=C(Br)C=CC3=C2OCO3)C(C(=O)[O-])=C(C)S1	REAL300012023792	1	39	0.0	-41.11	348.86	8.19	-32.92
CC1=C(C[NH2+]CC2=C(S(C)(=O)=O)C=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023793	1	39	0.0	-57.46	346.47	5.70	-51.76
CC1=C(C[NH2+]CC2=CC(S(C)(=O)=O)=CO2)C(C(=O)[O-])=C(C)S1	REAL300012023794	1	39	0.0	-56.04	348.60	4.63	-51.41
CC1=C(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023795	0	39	0.0	-53.87	349.06	10.09	-43.78
CC1=C(C[NH2+]CC2=CC=C(OC(C)C)C(F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023796	0	46	0.0	-54.14	380.26	9.98	-44.16
CC1=C(C[NH2+]CC2=CC=C(F)C(Cl)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023798	0	36	0.0	-43.32	331.31	9.65	-33.67
CC1=C(C[NH2+]CC2=CC=CC(C(F)F)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023799	0	39	0.0	-49.88	336.93	9.91	-39.97
CC1=C(C[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023800	0	42	0.0	-51.64	355.28	11.31	-40.33
CC1=C(C[NH2+]CC2=CC(S(C)(=O)=O)=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023801	0	39	0.0	-52.62	357.01	5.64	-46.98
CC1=C(C[NH2+]CC2=CSC(Cl)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023802	0	33	0.0	-48.55	311.78	8.61	-39.94
CC1=C(C[NH2+]CC2=C(C)N(C3CCC3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023803	0	46	0.0	-43.49	372.42	9.54	-33.95
CC1=C(C[NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023804	0	43	0.0	-49.16	380.31	10.77	-38.39
CC1=NN(C2CCCC2)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023805	0	49	0.0	-50.24	392.90	10.14	-40.10
CC1=C(C[NH2+]CC2=CC=NN2CC(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023806	0	39	0.0	-48.36	338.64	7.73	-40.63
CC1=C(C[NH2+]CC2=CC([N+](=O)[O-])=CC=C2N(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023807	0	46	0.0	-46.70	385.44	9.72	-36.98
CC1=C(C[NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023808	0	39	0.0	-45.56	346.23	10.52	-35.04
CC1=C(C[NH2+]CC2=C(F)C=CN=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023809	1	35	0.0	-41.86	319.27	7.66	-34.20
CC1=C(C[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023810	0	43	0.0	-49.85	369.99	10.33	-39.52
CC1=C(C[NH2+]CC2=C(F)C=NC=C2N(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023811	0	43	0.0	-39.94	358.59	7.14	-32.80
COC1=NC(C)=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C)=C1Cl	REAL300012023812	0	45	0.0	-50.01	379.18	7.28	-42.73
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023813	1	45	0.0	-53.52	379.68	9.38	-44.14
CC1=C(C[NH2+]CC2=NN(C3CCC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023814	1	43	0.0	-48.33	353.00	8.72	-39.61
CC1=C(C[NH2+]CC2=NN(CC(F)F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023815	1	39	0.0	-50.13	342.18	7.91	-42.22
CC1=C(C[NH2+]CC2=NN(C3CC3(F)F)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023816	1	40	0.0	-54.26	350.69	8.48	-45.78
CC1=NN(C2CCCCC2)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023817	0	52	0.0	-48.53	409.06	10.70	-37.83
CC1=C(C[NH2+]CC2=CN(C3CCOCC3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023818	0	47	0.0	-46.21	380.17	7.70	-38.51
CC1=NN(C2CCOCC2)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023819	0	50	0.0	-48.77	399.82	8.29	-40.48
CC1=C(C[NH2+]CC2=NN(C3CCCC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023820	1	46	0.0	-47.85	370.57	9.40	-38.45
CC1=C(C[NH2+]CC2=CC(S(N)(=O)=O)=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023821	0	38	0.0	-51.99	350.59	3.04	-48.95
CC1=C(C[NH2+]CC2=NC=C(Cl)C=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023822	1	35	0.0	-41.47	331.85	8.17	-33.30
CC1=C(C[NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023823	0	51	0.0	-58.13	410.89	8.56	-49.57
CC1=NN(C2CCCC2)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023824	0	49	0.0	-48.54	390.09	10.09	-38.45
CC1=C(C[NH2+]CC2=CC=CC=C2C(F)F)C(C(=O)[O-])=C(C)S1	REAL300012023825	0	39	0.0	-46.39	327.79	10.03	-36.36
CC1=C(C[NH2+]CC2=CC(C)=CC(Br)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023826	0	39	0.0	-39.99	351.29	10.36	-29.63
COC1=CC=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1Br	REAL300012023827	0	40	0.0	-49.89	349.59	8.95	-40.94
CC1=C(C[NH2+]CC2=CC3=CNN=C3C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023828	0	39	0.0	-55.83	331.01	7.77	-48.06
CC1=C(C[NH2+]CC2=CC=C(Cl)C(F)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023829	0	36	0.0	-43.36	331.74	9.66	-33.70
CC1=C(C[NH2+]CC2=CC=CC(F)=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023830	0	39	0.0	-49.01	324.86	9.72	-39.29
CC1=C(C[NH2+]CC2=CC=CC(C3=CN(C)N=C3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023831	0	46	0.0	-51.58	384.88	10.34	-41.24
CC1=C(C[NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023832	0	46	0.0	-61.83	391.32	11.46	-50.37
CC1=C(C[NH2+]CC2=CC(Br)=CC=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023833	0	39	0.0	-42.79	340.88	10.30	-32.49
COC1=C(C#N)C=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023834	0	41	0.0	-45.54	354.49	8.91	-36.63
COC1=NC2=CC=C(C[NH2+]CC3=C(C)SC(C)=C3C(=O)[O-])C=C2S1	REAL300012023835	0	42	0.0	-50.79	369.16	6.87	-43.92
CC1=C(C[NH2+]CC2=CC=NC(Br)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023836	0	35	0.0	-53.69	321.10	7.78	-45.91
CC1=C(C[NH2+]CC2=CC(F)=CC(Cl)=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023837	0	36	0.0	-49.62	339.01	10.03	-39.59
CC1=C(C[NH2+]CC2=CC=C(Cl)N=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023838	0	38	0.0	-51.89	331.55	8.28	-43.61
CC1=C(C[NH2+]CC2=CC=CC(OCC(C)(C)C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023839	0	52	0.0	-47.79	416.54	11.39	-36.40
COC1=CC(Cl)=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023840	0	40	0.0	-47.63	350.99	8.86	-38.77
CC1=C(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023841	0	39	0.0	-58.59	356.32	10.40	-48.19
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=CC(F)=C1F	REAL300012023842	0	40	0.0	-57.14	346.77	8.48	-48.66
COC1=CC(C)=NC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023843	0	42	0.0	-46.16	349.96	7.26	-38.90
CC1=C(C[NH2+]CC2=CN(C(C)C)C=N2)C(C(=O)[O-])=C(C)S1	REAL300012023844	1	42	0.0	-39.55	349.50	9.65	-29.90
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023845	0	43	0.0	-57.77	366.37	6.69	-51.08
CC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C2CC2)=NO1	REAL300012023846	0	42	0.0	-46.41	354.02	9.45	-36.96
COC(=O)C1=C(C)NC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1C	REAL300012023847	0	46	0.0	-54.78	388.44	8.74	-46.04
CC1=C(C[NH2+]CC2=CC=C(OC(C)C)O2)C(C(=O)[O-])=C(C)S1	REAL300012023848	0	43	0.0	-48.37	360.69	9.26	-39.11
CC1=C(C[NH2+]CC2=C(C)C=C(Br)C=C2C)C(C(=O)[O-])=C(C)S1	REAL300012023849	0	42	0.0	-45.42	359.22	10.73	-34.69
CC1=C(C[NH2+]CC2=C(O)C=CC(F)=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023850	0	37	0.0	-38.06	338.25	6.77	-31.29
CC1=C(C[NH2+]CC2=C(Cl)C=CC3=C2OCO3)C(C(=O)[O-])=C(C)S1	REAL300012023851	1	39	0.0	-41.86	344.83	8.12	-33.74
CC1=C(C[NH2+]CC2=CC(F)=CC(C#N)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023852	0	37	0.0	-53.37	332.02	9.50	-43.87
CC1=C(C[NH2+]CC2=CC=C(C3CCCCC3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023853	0	52	0.0	-44.87	407.84	12.90	-31.97
COC1=CC=CC=C1C=CC[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023854	0	44	0.0	-48.31	364.17	9.71	-38.60
CC1=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])SC(Br)=C1	REAL300012023855	0	36	0.0	-47.15	335.20	9.46	-37.69
CC1=NN(C2CCC2)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023856	0	46	0.0	-49.11	372.50	9.43	-39.68
CC1=C(C[NH2+]CC2=C(C)N(CC(F)F)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023857	0	42	0.0	-46.11	358.89	8.46	-37.65
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C(C(=O)[O-])=C(C)S1	REAL300012023858	0	44	0.0	-51.75	373.94	9.39	-42.36
CCCN1N=C(C)C(Cl)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023859	1	45	0.0	-50.25	387.17	9.31	-40.94
CC1=C(C[NH2+]CC2=NC3=CC(Cl)=CC=C3N2C(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023860	0	48	0.0	-42.16	404.14	11.17	-30.99
CC1=C(C[NH2+]CC2=CC(C3=CC=CO3)=NN2C)C(C(=O)[O-])=C(C)S1	REAL300012023861	0	43	0.0	-55.52	368.06	8.30	-47.22
CC1=C(C[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023862	0	49	0.0	-46.46	408.78	13.55	-32.91
CCCCC(=O)NC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023863	0	52	0.0	-54.43	424.41	10.31	-44.12
COC1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C)=N1	REAL300012023864	0	42	0.0	-49.41	346.86	6.35	-43.06
CCN(C)C1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C(C)=C1	REAL300012023865	0	50	0.0	-43.47	392.83	11.04	-32.43
CC1=C(C[NH2+]CC2=CC(Cl)=CN=C2Br)C(C(=O)[O-])=C(C)S1	REAL300012023866	1	35	0.0	-40.15	332.08	8.24	-31.91
CC1=C(C[NH2+]CC2=C(Cl)C(Cl)=CS2)C(C(=O)[O-])=C(C)S1	REAL300012023867	0	33	0.0	-48.35	326.20	9.09	-39.26
CC1=C(C[NH2+]CC2=CN(C(C)(C)C)N=C2C(C)(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023868	0	57	0.0	-45.68	431.98	11.17	-34.51
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023869	0	47	0.0	-39.99	382.47	8.42	-31.57
CC1=C(C[NH2+]CC2=CC=C(CF)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023870	0	39	0.0	-47.22	333.97	9.91	-37.31
CC1=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023871	0	40	0.0	-51.83	366.78	9.40	-42.43
CC1=C(C[NH2+]CC2=CC=C3SC=CC3=C2)C(C(=O)[O-])=C(C)S1	REAL300012023872	0	39	0.0	-48.36	341.68	10.43	-37.93
CC1=C(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023873	0	45	0.0	-50.06	374.17	10.72	-39.34
CC1=C(C[NH2+]CC2=CC=CC=C2CO)C(C(=O)[O-])=C(C)S1	REAL300012023874	0	40	0.0	-46.12	328.93	6.50	-39.62
CC1=NSC(C)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023875	0	38	0.0	-46.84	327.32	7.89	-38.95
CC1=C(C[NH2+]CC2=C(C(C)(C)C)ON=C2)C(C(=O)[O-])=C(C)S1	REAL300012023876	0	44	0.0	-43.29	349.08	9.13	-34.16
CC1=C(C[NH2+]CC2=C(C(F)(F)F)C(C)=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023877	0	42	0.0	-42.79	349.60	10.67	-32.12
C=CCN1C=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=N1	REAL300012023878	0	40	0.0	-45.81	341.91	8.27	-37.54
CC1=C(C[NH2+]CC2=CC3=NNC=C3C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023879	0	39	0.0	-54.20	331.00	7.77	-46.43
CCC(C)C1=CC=C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])C=C1	REAL300012023880	0	48	0.0	-44.78	383.43	11.64	-33.14
CC1=C(C[NH2+]CC2=CC3=NC=C(Br)C=C3O2)C(C(=O)[O-])=C(C)S1	REAL300012023881	0	38	0.0	-51.96	348.73	8.35	-43.61
CC1=C(C[NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)C(C(=O)[O-])=C(C)S1	REAL300012023882	0	41	0.0	-55.90	369.81	9.42	-46.48
CC1=C(C[NH2+]CC2=CC3=C(CCOC3)N=C2Cl)C(C(=O)[O-])=C(C)S1	REAL300012023883	0	43	0.0	-41.25	365.68	7.70	-33.55
CC1=C(C[NH2+]CC2=NC=C(CC3=CC=CC=C3)N2C)C(C(=O)[O-])=C(C)S1	REAL300012023884	1	49	0.0	-41.52	405.47	11.61	-29.91
CC1=C(C[NH2+]CC2=CC=CC(C(C)(F)F)=N2)C(C(=O)[O-])=C(C)S1	REAL300012023885	0	41	0.0	-43.80	355.11	9.04	-34.76
CC1=C(C[NH2+]CC2=CC(Br)=CC(F)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023886	0	36	0.0	-52.46	337.91	9.76	-42.70
CC1=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C(C(=O)[O-])=C(C)S1	REAL300012023887	0	46	0.0	-43.61	360.10	11.42	-32.19
CC1=C(C[NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)C(C(=O)[O-])=C(C)S1	REAL300012023888	0	38	0.0	-57.53	354.26	10.34	-47.19
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023889	0	43	0.0	-47.51	365.24	10.95	-36.56
CC1=C(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023890	0	39	0.0	-57.48	348.24	10.08	-47.40
CC1=C(C[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023891	0	42	0.0	-60.22	358.35	9.00	-51.22
CC1=C(C[NH2+]CC2=C(C)C3=CC=CC=C3C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023892	0	45	0.0	-45.48	361.72	11.81	-33.67
CC1=C(C[NH2+]CC2=CN(C(C)(C)C)N=C2C(C)C)C(C(=O)[O-])=C(C)S1	REAL300012023893	0	54	0.0	-48.00	429.92	10.70	-37.30
COC1=C2C=CNC2=CC=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023894	0	44	0.0	-49.93	365.69	8.47	-41.46
CC1=NC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C(C)S1	REAL300012023895	1	38	0.0	-48.64	331.47	7.50	-41.14
CC1=C(C[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C(C(=O)[O-])=C(C)S1	REAL300012023896	0	49	0.0	-46.84	392.35	6.06	-40.78
COC1=CC=C(OC)C(OC)=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023897	1	48	0.0	-40.55	391.89	7.65	-32.90
CCCN1N=CC(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1C	REAL300012023898	0	45	0.0	-43.78	368.57	8.89	-34.89
CC1=C(C[NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)C(C(=O)[O-])=C(C)S1	REAL300012023899	0	53	0.0	-51.70	416.09	10.95	-40.75
CC1=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)C(C(=O)[O-])=C(C)S1	REAL300012023900	0	50	0.0	-42.37	414.32	12.45	-29.92
CC1=C(C[NH2+]CC2=C(C)C=CC3=CC=CN=C32)C(C(=O)[O-])=C(C)S1	REAL300012023901	0	44	0.0	-47.89	360.65	10.14	-37.75
CC1=C(C[NH2+]CC2=CN=C(N3C=CC=N3)C(C)=C2)C(C(=O)[O-])=C(C)S1	REAL300012023902	0	45	0.0	-53.09	376.32	10.37	-42.72
COC(=O)C1=CN(C)C(C[NH2+]CC2=C(C)SC(C)=C2C(=O)[O-])=C1	REAL300012023903	0	43	0.0	-58.86	366.67	9.17	-49.69
CCCN1N=C(C)C=C1C[NH2+]CC1=C(C)SC(C)=C1C(=O)[O-]	REAL300012023904	0	45	0.0	-45.87	365.93	8.90	-36.97
CC1=C(C[NH2+]CC2=CN(C)N=C2C2CCC2)C(C(=O)[O-])=C(C)S1	REAL300012023905	0	46	0.0	-49.07	377.18	9.51	-39.56
CC1=C(C[NH2+]CC2=CN=C(C(C)(C)C)O2)C(C(=O)[O-])=C(C)S1	REAL300012023906	0	44	0.0	-45.89	363.95	6.55	-39.34
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=C(C)C=C3)N=C2C(C)(C)C)C[C@@H](C(=O)[O-])C1	REAL300012023907	0	59	0.0	-74.20	445.76	10.87	-63.33
CO[C@@]1(C[NH2+]CC2=CC3=CC=CN=C3C=C2)C[C@@H](C(=O)[O-])C1	REAL300012023908	0	42	0.0	-76.33	337.93	7.13	-69.20
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OCC1=CC=CC=C1	REAL300012023909	0	55	0.0	-75.85	436.18	9.91	-65.94
CO[C@@]1(C[NH2+]CC2=C(Cl)N(C3=CC=C(F)C=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012023910	0	47	0.0	-71.75	394.21	8.74	-63.01
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012023911	0	54	0.0	-73.46	430.60	11.32	-62.14
CO[C@@]1(C[NH2+]CC2=CC=C(C(C)(C)C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012023912	0	49	0.0	-68.21	372.72	9.08	-59.13
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012023913	0	44	0.0	-71.48	353.17	6.65	-64.83
CO[C@@]1(C[NH2+]CC2=CC=C(Br)O2)C[C@@H](C(=O)[O-])C1	REAL300012023914	0	34	0.0	-72.16	299.26	5.62	-66.54
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)=C2)C=C1	REAL300012023915	0	55	0.0	-80.69	437.01	8.03	-72.66
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012023916	0	47	0.0	-75.96	373.87	8.53	-67.43
CO[C@@]1(C[NH2+]CC2=CN(CCC#N)N=C2C2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012023917	0	51	0.0	-77.38	416.50	9.26	-68.12
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OC(F)F	REAL300012023918	0	45	0.0	-76.94	365.32	6.24	-70.70
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CN=C2)C[C@@H](C(=O)[O-])C1	REAL300012023919	0	53	0.0	-71.42	418.37	9.41	-62.01
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=C(Br)C=C3)O2)C[C@@H](C(=O)[O-])C1	REAL300012023920	0	44	0.0	-71.81	378.02	9.27	-62.54
CCCOC1=CC=C(Br)C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012023921	0	47	0.0	-65.82	389.27	8.46	-57.36
CCOC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OC	REAL300012023922	0	48	0.0	-75.36	377.02	6.87	-68.49
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012023923	0	51	0.0	-63.18	405.15	10.06	-53.12
CCCCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012023924	0	53	0.0	-70.57	410.34	9.28	-61.29
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)C[C@@H](C(=O)[O-])C1	REAL300012023925	0	46	0.0	-79.80	383.89	9.32	-70.48
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)C[C@@H](C(=O)[O-])C1	REAL300012023926	0	46	0.0	-78.44	384.91	9.31	-69.13
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300012023927	0	41	0.0	-73.96	346.34	6.72	-67.24
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OC(C)C)C[C@@H](C(=O)[O-])C1	REAL300012023928	0	47	0.0	-63.83	363.42	7.63	-56.20
CCCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012023929	0	54	0.0	-74.80	420.41	8.46	-66.34
CCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012023930	0	51	0.0	-74.52	398.92	7.68	-66.84
C=CCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012023931	0	49	0.0	-75.32	390.32	7.46	-67.86
CCCCCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012023932	0	60	0.0	-74.66	463.41	10.02	-64.64
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)C[C@@H](C(=O)[O-])C1	REAL300012023933	0	44	0.0	-71.81	373.46	9.16	-62.65
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)C[C@@H](C(=O)[O-])C1	REAL300012023934	0	44	0.0	-71.39	371.54	9.08	-62.31
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC(Br)=C3)O2)C[C@@H](C(=O)[O-])C1	REAL300012023935	0	44	0.0	-73.10	376.99	9.24	-63.86
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012023936	0	44	0.0	-70.66	381.11	10.06	-60.60
CO[C@@]1(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012023937	0	47	0.0	-72.09	379.22	8.38	-63.71
CCC1=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300012023938	0	46	0.0	-70.04	361.04	8.70	-61.34
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)C[C@@H](C(=O)[O-])C1	REAL300012023939	0	46	0.0	-75.80	380.19	9.92	-65.88
CO[C@@]1(C[NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)C[C@@H](C(=O)[O-])C1	REAL300012023940	0	43	0.0	-71.14	367.78	7.59	-63.55
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OC(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012023941	0	41	0.0	-66.23	340.45	6.60	-59.63
CO[C@@]1(C[NH2+]CC2=CC=C(SC(F)(F)F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012023942	0	41	0.0	-74.28	353.46	8.27	-66.01
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C([N+](=O)[O-])C=C1O	REAL300012023943	0	44	0.0	-72.44	354.49	4.39	-68.05
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(Cl)=C1	REAL300012023944	0	41	0.0	-66.68	336.67	6.42	-60.26
CO[C@@]1(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012023945	0	41	0.0	-74.04	342.49	6.55	-67.49
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012023946	0	46	0.0	-77.23	392.57	10.21	-67.02
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)C[C@@H](C(=O)[O-])C1	REAL300012023947	0	46	0.0	-76.01	392.10	10.22	-65.79
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012023948	0	44	0.0	-73.26	357.44	6.61	-66.65
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=C(C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012023949	0	47	0.0	-69.95	365.11	7.19	-62.76
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=CS2)C[C@@H](C(=O)[O-])C1	REAL300012023950	0	41	0.0	-67.83	338.49	5.85	-61.98
COC1=CC=C(C2=NNC=C2C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012023951	0	48	0.0	-72.06	380.07	5.86	-66.20
CO[C@@]1(C[NH2+]CC2=CSC3=CC=CC=C23)C[C@@H](C(=O)[O-])C1	REAL300012023952	0	40	0.0	-71.32	333.71	8.14	-63.18
CCOC1=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(C)=NN1CC(C)C	REAL300012023953	0	56	0.0	-66.24	421.68	6.77	-59.47
CO[C@@]1(C[NH2+]CC2=CC3=CC=CC=C3OC2)C[C@@H](C(=O)[O-])C1	REAL300012023954	0	43	0.0	-72.00	341.03	7.22	-64.78
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=C(C)C=C3)O2)C[C@@H](C(=O)[O-])C1	REAL300012023955	0	47	0.0	-70.28	377.18	9.27	-61.01
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=C(C)O2)C[C@@H](C(=O)[O-])C1	REAL300012023956	0	44	0.0	-69.42	357.49	5.86	-63.56
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=CN=C2)C[C@@H](C(=O)[O-])C1	REAL300012023957	0	43	0.0	-77.92	347.70	4.90	-73.02
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012023958	0	50	0.0	-75.31	395.77	5.74	-69.57
CO[C@@]1(C[NH2+]CC2=CC=C(OCC3CCCO3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012023959	0	52	0.0	-74.27	404.96	7.45	-66.82
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012023960	0	44	0.0	-71.72	368.72	9.54	-62.18
CO[C@@]1(C[NH2+]CC2=CC=CC3=CC=CN=C32)C[C@@H](C(=O)[O-])C1	REAL300012023961	0	42	0.0	-65.21	335.20	7.28	-57.93
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)C[C@@H](C(=O)[O-])C1	REAL300012023962	0	50	0.0	-68.37	399.09	8.40	-59.97
COC1=NC2=CC=CC=C2C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012023963	0	46	0.0	-72.51	365.31	5.70	-66.81
CO[C@@]1(C[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012023964	0	44	0.0	-77.15	353.33	7.92	-69.23
CO[C@@]1(C[NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012023965	0	43	0.0	-81.09	349.77	9.28	-71.81
CO[C@@]1(C[NH2+]CC2=C(Cl)N=C3C(=C2)C=NN3C(C)C)C[C@@H](C(=O)[O-])C1	REAL300012023966	0	48	0.0	-73.92	393.80	7.82	-66.10
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)C[C@@H](C(=O)[O-])C1	REAL300012023967	0	44	0.0	-70.13	381.44	10.07	-60.06
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OCC1=CC=NC=C1	REAL300012023968	0	54	0.0	-78.58	432.21	8.16	-70.42
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)C[C@@H](C(=O)[O-])C1	REAL300012023969	0	44	0.0	-70.69	372.83	9.70	-60.99
CO[C@@]1(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012023970	0	40	0.0	-67.03	345.89	8.21	-58.82
CO[C@@]1(C[NH2+]CC2=CC=C(F)C=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012023971	0	37	0.0	-68.46	313.59	7.20	-61.26
CO[C@@]1(C[NH2+]CC2=CC=C(F)C(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300012023972	0	37	0.0	-76.32	317.99	7.26	-69.06
CO[C@@]1(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012023973	0	40	0.0	-79.82	339.57	7.77	-72.05
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CC=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012023974	0	37	0.0	-65.79	323.91	7.64	-58.15
CO[C@@]1(C[NH2+]CC2=CC=C(F)C=C2C(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012023975	0	40	0.0	-70.40	329.90	7.86	-62.54
CO[C@@]1(C[NH2+]CC2=CC(F)=C(F)C(F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012023976	0	37	0.0	-82.99	314.01	6.90	-76.09
CO[C@@]1(C[NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012023977	0	40	0.0	-76.80	341.94	7.82	-68.98
CO[C@@]1(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2F)C[C@@H](C(=O)[O-])C1	REAL300012023978	0	40	0.0	-68.93	338.55	7.78	-61.15
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(Cl)=C1OC	REAL300012023979	0	45	0.0	-72.54	371.65	6.59	-65.95
CO[C@@]1(C[NH2+]CC2=CC3=CC=CC=C3S2)C[C@@H](C(=O)[O-])C1	REAL300012023980	0	40	0.0	-69.61	332.41	8.26	-61.35
CO[C@@]1(C[NH2+]CC2=CC=C(Cl)C(F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012023981	0	37	0.0	-77.10	319.03	7.33	-69.77
CO[C@@]1(C[NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2C(C)C)C[C@@H](C(=O)[O-])C1	REAL300012023982	0	53	0.0	-71.38	431.78	10.05	-61.33
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CC=C2OC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012023983	0	41	0.0	-70.90	351.05	6.90	-64.00
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012023984	0	44	0.0	-70.88	381.01	10.05	-60.83
CO[C@@]1(C[NH2+]CC2=CC=CC(OCC3=CC=CC(C#N)=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012023985	0	52	0.0	-74.70	429.19	10.48	-64.22
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012023986	0	47	0.0	-71.93	377.72	5.26	-66.67
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OCC(F)(F)F	REAL300012023987	0	48	0.0	-78.84	396.99	7.34	-71.50
CO[C@@]1(C[NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012023988	0	50	0.0	-74.46	402.96	8.27	-66.19
CO[C@@]1(C[NH2+]CC2=CC(Br)=C3OCCOC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012023989	0	43	0.0	-75.70	359.85	6.53	-69.17
CO[C@@]1(C[NH2+]CC2=CC=C(N3C=CC(C(F)(F)F)=N3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012023990	0	47	0.0	-81.57	395.94	8.92	-72.65
CO[C@@]1(C[NH2+]CC2=C(Cl)N(C)N=C2C(C)C)C[C@@H](C(=O)[O-])C1	REAL300012023991	0	46	0.0	-68.07	375.58	6.69	-61.38
COCCOC1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012023992	0	48	0.0	-70.79	380.39	6.24	-64.55
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300012023993	0	41	0.0	-75.38	340.79	6.56	-68.82
CO[C@@]1(C[NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C[C@@H](C(=O)[O-])C1	REAL300012023994	0	42	0.0	-72.26	356.06	5.68	-66.58
CO[C@@]1(C[NH2+]CC2=NC3=CC=CC=C3N2C(C)C)C[C@@H](C(=O)[O-])C1	REAL300012023995	0	49	0.0	-75.16	378.19	8.33	-66.83
CO[C@@]1(C[NH2+]CC2=CC=C(NC(=O)OC(C)(C)C)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012023996	0	53	0.0	-79.62	413.06	6.63	-72.99
CO[C@@]1(C[NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012023997	0	44	0.0	-72.65	367.73	7.45	-65.20
CO[C@@]1(C[NH2+]CC2=CC=CC3=C2OCCO3)C[C@@H](C(=O)[O-])C1	REAL300012023998	0	43	0.0	-67.27	337.41	5.90	-61.37
CO[C@@]1(C[NH2+]CC2=CC=CC3=C2OCCCO3)C[C@@H](C(=O)[O-])C1	REAL300012023999	0	46	0.0	-69.87	356.36	6.77	-63.10
CCCN1C2=CC=CC=C2N=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024000	0	49	0.0	-72.25	385.04	8.71	-63.54
CCCOC1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024001	0	47	0.0	-69.91	369.67	7.79	-62.12
CO[C@@]1(C[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C[C@@H](C(=O)[O-])C1	REAL300012024002	0	44	0.0	-70.33	360.53	9.27	-61.06
CO[C@@]1(C[NH2+]CC2=CC=CC(OC3CCCC3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024003	0	51	0.0	-68.53	389.73	8.93	-59.60
CO[C@@]1(C[NH2+]CC2=CC=CC(OC(C)C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024004	0	47	0.0	-69.39	364.01	7.55	-61.84
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C2=CC3=CC=CC=C3O2)C[C@@H](C(=O)[O-])C1	REAL300012024005	0	50	0.0	-69.43	404.72	8.77	-60.66
CO[C@@]1(C[NH2+]CC2=CSC(C3=CC=C(C)C=C3)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024006	0	46	0.0	-69.46	382.78	8.20	-61.26
CO[C@@]1(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024007	0	51	0.0	-72.07	411.40	10.20	-61.87
CO[C@@]1(C[NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024008	0	47	0.0	-70.03	393.51	7.11	-62.92
CO[C@@]1(C[NH2+]CC2=CSC(COC3=CC=C(Cl)C=C3)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024009	0	47	0.0	-70.37	410.24	7.63	-62.74
CO[C@@]1(C[NH2+]CC2=CSC(COC3=CC=C(C)C=C3)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024010	0	50	0.0	-69.90	414.91	7.79	-62.11
COC1=CC=C(OCC2=NC(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)=CS2)C=C1	REAL300012024011	0	51	0.0	-71.34	423.00	6.40	-64.94
CO[C@@]1(C[NH2+]CC2=CSC(C(C)(C)C)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024012	0	45	0.0	-66.61	362.50	6.29	-60.32
CO[C@@]1(C[NH2+]CC2=CSC(C3=CSC=C3)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024013	0	40	0.0	-67.19	351.77	6.46	-60.73
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024014	0	44	0.0	-71.76	370.69	9.60	-62.16
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OCC(=O)N(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024015	0	51	0.0	-68.53	402.05	7.59	-60.94
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OC2CCCC2)C[C@@H](C(=O)[O-])C1	REAL300012024016	0	51	0.0	-62.55	389.18	8.99	-53.56
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024017	0	54	0.0	-68.54	427.11	7.63	-60.91
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=C(C)C=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024018	0	47	0.0	-69.47	385.78	10.21	-59.26
CO[C@@]1(C[NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024019	0	43	0.0	-79.77	362.91	7.06	-72.71
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024020	0	41	0.0	-71.30	357.37	7.15	-64.15
CO[C@@]1(C[NH2+]CC2=CC(Br)=CC=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024021	0	37	0.0	-65.97	328.70	7.75	-58.22
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CC=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024022	0	37	0.0	-64.56	329.82	7.81	-56.75
CO[C@@]1(C[NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024023	0	48	0.0	-74.73	398.25	9.75	-64.98
CCOC1=C(OC)C=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012024024	0	52	0.0	-78.98	409.31	6.77	-72.21
COCCCOC1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024025	0	51	0.0	-70.45	403.34	6.86	-63.59
COC1=CC=C(OC(F)F)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024026	0	45	0.0	-69.93	364.17	5.67	-64.26
CO[C@@]1(C[NH2+]CC2=CC=CC(Br)=C2OC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024027	0	41	0.0	-68.46	351.29	6.97	-61.49
CO[C@@]1(C[NH2+]CC2=C(Cl)C=CC=C2OC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024028	0	41	0.0	-63.57	347.42	6.79	-56.78
CO[C@@]1(C[NH2+]CC2=CC=CC(OCCCC3=CC=CC=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024029	0	57	0.0	-71.52	451.07	11.59	-59.93
CO[C@@]1(C[NH2+]CC2=CC=C(OC3=CC=CN=C3)C(C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024030	0	50	0.0	-74.71	399.99	8.55	-66.16
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OCC(=O)NCC2CC2)C[C@@H](C(=O)[O-])C1	REAL300012024031	0	55	0.0	-70.15	438.16	8.03	-62.12
CO[C@@]1(C[NH2+]CC2=CN=C(C3=CC=C(C)C=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024032	0	46	0.0	-71.96	381.42	8.41	-63.55
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C[C@@H](C(=O)[O-])C1	REAL300012024033	0	42	0.0	-65.24	352.39	7.77	-57.47
CO[C@@]1(C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)C[C@@H](C(=O)[O-])C1	REAL300012024034	0	42	0.0	-69.64	341.82	7.32	-62.32
CO[C@@]1(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)C[C@@H](C(=O)[O-])C1	REAL300012024035	0	42	0.0	-67.01	342.70	7.34	-59.67
CO[C@@]1(C[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C[C@@H](C(=O)[O-])C1	REAL300012024036	0	42	0.0	-68.98	350.67	7.71	-61.27
CO[C@@]1(C[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)C[C@@H](C(=O)[O-])C1	REAL300012024037	0	44	0.0	-71.02	369.71	8.77	-62.25
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3C)O2)C[C@@H](C(=O)[O-])C1	REAL300012024038	0	47	0.0	-72.79	381.65	9.42	-63.37
CCC1=CC=C(C2=CC=C(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)O2)C=C1	REAL300012024039	0	50	0.0	-71.68	398.60	10.07	-61.61
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(OC(F)F)=C1	REAL300012024040	0	45	0.0	-73.37	363.88	5.68	-67.69
COC1=CC=C2OC(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)=CC2=C1	REAL300012024041	0	44	0.0	-74.21	354.10	6.58	-67.63
CO[C@@]1(C[NH2+]CC=CC2=CC=C(Cl)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024042	0	41	0.0	-72.85	343.02	8.54	-64.31
CO[C@@]1(C[NH2+]CC2=C(C)OC3=CC=CC=C32)C[C@@H](C(=O)[O-])C1	REAL300012024043	0	43	0.0	-71.26	342.40	7.82	-63.44
CO[C@@]1(C[NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C[C@@H](C(=O)[O-])C1	REAL300012024044	0	45	0.0	-74.52	362.07	8.43	-66.09
CO[C@@]1(C[NH2+]CC2=CC=C(C)C(Br)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024045	0	40	0.0	-71.02	335.92	7.94	-63.08
CO[C@@]1(C[NH2+]CC=CC2=CC=C(F)C=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024046	0	41	0.0	-73.23	337.45	8.09	-65.14
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C(C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024047	0	40	0.0	-73.06	334.96	7.94	-65.12
CO[C@@]1(C[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024048	0	44	0.0	-71.33	354.15	7.84	-63.49
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CC3=C2OCC3)C[C@@H](C(=O)[O-])C1	REAL300012024049	0	42	0.0	-67.22	349.03	7.12	-60.10
CO[C@@]1(C[NH2+]CC2=CC3=C(F)C=CC=C3N2)C[C@@H](C(=O)[O-])C1	REAL300012024050	0	41	0.0	-77.50	333.13	6.72	-70.78
CO[C@@]1(C[NH2+]CC2=CC3=CC=C(F)C=C3N2)C[C@@H](C(=O)[O-])C1	REAL300012024051	0	41	0.0	-75.98	333.97	6.75	-69.23
CO[C@@]1(C[NH2+]CC2=CC3=CC=CN=C3C(C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024052	0	45	0.0	-75.48	357.14	7.93	-67.55
CO[C@@]1(C[NH2+]CC2=CN=C3C=CSC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024053	0	39	0.0	-75.98	327.68	6.22	-69.76
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)C[C@@H](C(=O)[O-])C1	REAL300012024054	0	56	0.0	-70.21	432.79	10.96	-59.25
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024055	0	57	0.0	-65.67	428.50	9.65	-56.02
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024056	0	57	0.0	-66.07	437.89	9.85	-56.22
CO[C@@]1(C[NH2+]CC2=CC(C)=C(OCC3=CC=CC(C)=C3)C(C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024057	0	60	0.0	-72.49	473.54	12.34	-60.15
CO[C@@]1(C[NH2+]CC2=CC(C)=C(OCC3=CC=CC=C3C)C(C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024058	0	60	0.0	-73.00	468.02	12.35	-60.65
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024059	0	55	0.0	-72.75	428.51	11.49	-61.26
CO[C@@]1(C[NH2+]CC2=C(C)N(CC3=CC=C(Cl)C=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024060	0	53	0.0	-73.34	433.94	9.84	-63.50
CCN(CC)C1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1F	REAL300012024061	0	51	0.0	-73.88	397.44	7.90	-65.98
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C(SC)C=C1OC	REAL300012024062	0	49	0.0	-68.41	389.61	6.84	-61.57
COC1=CC=C2N=C(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)SC2=C1	REAL300012024063	0	43	0.0	-71.12	358.19	5.55	-65.57
CO[C@@]1(C[NH2+]CC2=NC3=CC=C(Cl)C=C3N2C)C[C@@H](C(=O)[O-])C1	REAL300012024064	0	43	0.0	-77.68	359.62	7.61	-70.07
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1C#N	REAL300012024065	0	42	0.0	-81.58	346.20	6.47	-75.11
CO[C@@]1(C[NH2+]CC2=CC=C(SC(F)F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024066	0	41	0.0	-73.28	346.62	8.03	-65.25
CO[C@@]1(C[NH2+]CC2=C(C)C=C(Cl)C=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024067	0	43	0.0	-71.29	346.97	8.37	-62.92
CO[C@@]1(C[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024068	0	41	0.0	-77.66	341.91	6.40	-71.26
CO[C@@]1(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024069	0	43	0.0	-74.53	351.32	8.33	-66.20
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300012024070	0	45	0.0	-77.30	375.52	6.60	-70.70
CO[C@@]1(C[NH2+]CC2=CC(Br)=CC=C2OC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024071	0	41	0.0	-70.19	354.69	6.97	-63.22
CO[C@@]1(C[NH2+]CC2=C(Cl)N(CC3=CC=C(C)C=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024072	0	53	0.0	-68.85	435.51	9.87	-58.98
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OCC(C)C	REAL300012024073	0	54	0.0	-74.84	418.62	8.35	-66.49
CCCOC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OC	REAL300012024074	0	51	0.0	-75.10	398.52	7.67	-67.43
CO[C@@]1(C[NH2+]CC2=CC=C(Br)S2)C[C@@H](C(=O)[O-])C1	REAL300012024075	0	34	0.0	-71.53	308.44	6.57	-64.96
CCOC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300012024076	0	48	0.0	-76.93	397.35	7.52	-69.41
C=CCOC1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024077	0	45	0.0	-69.44	359.24	7.52	-61.92
COC1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1OC(C)C	REAL300012024078	0	51	0.0	-64.66	385.18	7.88	-56.78
CCOC1=C(Cl)C=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012024079	0	48	0.0	-77.08	397.38	7.55	-69.53
CCCOC1=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=CC=C1OCC	REAL300012024080	0	54	0.0	-68.04	419.29	8.69	-59.35
CCCCOC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OC	REAL300012024081	0	54	0.0	-75.22	420.02	8.46	-66.76
CCCOC1=C(Cl)C=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OCC	REAL300012024082	0	54	0.0	-76.62	440.70	9.28	-67.34
CO[C@@]1(C[NH2+]CC2=C(Cl)N(C3=CC(C)=CC=C3C)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024083	0	53	0.0	-70.21	430.79	10.34	-59.87
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC(F)F	REAL300012024084	0	45	0.0	-74.00	363.98	6.24	-67.76
CCOC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OC(F)F	REAL300012024085	0	48	0.0	-77.33	386.78	7.15	-70.18
CO[C@@]1(C[NH2+]CC2=CC(C)=C(OC(F)F)C(C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024086	0	47	0.0	-73.39	375.37	7.82	-65.57
CCOC1=CC2=C(C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1)OC(C)C2	REAL300012024087	0	52	0.0	-64.44	402.00	7.60	-56.84
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC2=C1OCCO2	REAL300012024088	0	47	0.0	-76.94	370.48	5.78	-71.16
CO[C@@]1(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C[C@@H](C(=O)[O-])C1	REAL300012024089	0	46	0.0	-76.74	390.31	8.16	-68.58
CCCCN1N=C(C)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1Cl	REAL300012024090	0	49	0.0	-68.86	399.40	7.80	-61.06
CCOC1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1OC(F)F	REAL300012024091	0	48	0.0	-67.29	378.77	7.53	-59.76
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OCC(=O)N2CCCC2)C[C@@H](C(=O)[O-])C1	REAL300012024092	0	55	0.0	-68.62	429.21	8.88	-59.74
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024093	0	44	0.0	-69.74	364.28	9.53	-60.21
CCCOC1=C(Cl)C=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012024094	0	51	0.0	-76.93	418.88	8.35	-68.58
CO[C@@]1(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2C(C)(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024095	0	59	0.0	-73.67	450.72	10.70	-62.97
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)C[C@@H](C(=O)[O-])C1	REAL300012024096	0	44	0.0	-74.88	370.99	8.80	-66.08
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C2CCCCC2)C[C@@H](C(=O)[O-])C1	REAL300012024097	0	53	0.0	-72.52	401.90	8.25	-64.27
CO[C@@]1(C[NH2+]CC(C)CCC2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024098	0	49	0.0	-67.69	373.51	9.57	-58.12
CO[C@@]1(C[NH2+]CC2=NC3=C(CC(C)(C)CC3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024099	0	49	0.0	-66.41	378.92	7.36	-59.05
CCC1=CC=CC(Cl)=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024100	0	43	0.0	-63.38	343.32	8.32	-55.06
CO[C@@]1(C[NH2+]CC2=CC3=CC(C)=C(C)C=C3O2)C[C@@H](C(=O)[O-])C1	REAL300012024101	0	46	0.0	-72.95	361.65	8.48	-64.47
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024102	0	44	0.0	-72.47	367.76	7.06	-65.41
CO[C@@]1(C[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024103	0	44	0.0	-77.82	351.76	9.12	-68.70
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C[C@@H](C(=O)[O-])C1	REAL300012024104	0	44	0.0	-72.77	363.39	8.73	-64.04
CO[C@@]1(C[NH2+]CC2=CC(Cl)=C3OCCOC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024105	0	43	0.0	-75.94	355.46	6.41	-69.53
CCCCC1=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300012024106	0	52	0.0	-70.04	403.83	10.24	-59.80
CO[C@@]1(C[NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024107	0	50	0.0	-80.90	403.65	11.43	-69.47
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OCC1=CC=CS1	REAL300012024108	0	52	0.0	-76.31	427.56	9.01	-67.30
CO[C@@]1(C[NH2+]CC2=C(C)N(C3=CC=C(F)C=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024109	0	50	0.0	-74.24	399.31	8.89	-65.35
CO[C@@]1(C[NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024110	0	46	0.0	-77.24	374.71	7.24	-70.00
CO[C@@]1(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024111	0	51	0.0	-71.96	419.14	10.55	-61.41
CO[C@@]1(C[NH2+]CC2CCC(C(F)(F)F)CC2)C[C@@H](C(=O)[O-])C1	REAL300012024112	0	46	0.0	-71.55	353.37	7.98	-63.57
CO[C@@]1(C[NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024113	0	44	0.0	-79.89	373.59	7.52	-72.37
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)C[C@@H](C(=O)[O-])C1	REAL300012024114	0	43	0.0	-82.38	366.46	7.14	-75.24
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C[C@@H](C(=O)[O-])C1	REAL300012024115	0	43	0.0	-77.95	372.03	7.14	-70.81
CCSC1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024116	0	44	0.0	-69.93	358.46	8.62	-61.31
CO[C@@]1(C[NH2+]CC2=C(O)C=CC(Cl)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024117	1	38	0.0	-66.41	326.15	4.45	-61.96
CCN1N=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C2=CC=CC=C21	REAL300012024118	0	46	0.0	-69.84	367.21	7.54	-62.30
COCCC1(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)CCCCC1	REAL300012024119	0	53	0.0	-67.04	372.95	6.91	-60.13
CO[C@@]1(C[NH2+]CC2=CC(Br)=C(Cl)S2)C[C@@H](C(=O)[O-])C1	REAL300012024120	0	34	0.0	-73.57	324.23	7.06	-66.51
CO[C@@]1(C[NH2+]CC2=CC=C(N(C)C3=CC=CC=C3)C([N+](=O)[O-])=C2)C[C@@H](C(=O)[O-])C1	REAL300012024121	0	54	0.0	-87.00	429.99	11.64	-75.36
CCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024122	0	47	0.0	-70.67	367.34	7.72	-62.95
COC1=CC=C(C2=CC=C(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)O2)C([N+](=O)[O-])=C1	REAL300012024123	0	50	0.0	-77.80	409.27	9.22	-68.58
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)O2)C[C@@H](C(=O)[O-])C1	REAL300012024124	0	44	0.0	-72.92	388.54	9.61	-63.31
CO[C@@]1(C[NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024125	0	50	0.0	-68.40	415.68	9.24	-59.16
CO[C@@]1(C[NH2+]CC2=C(Cl)N(C3=CC=CC(Cl)=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024126	0	47	0.0	-72.19	405.29	9.21	-62.98
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C[C@@H](C(=O)[O-])C1	REAL300012024127	0	44	0.0	-71.36	354.73	8.59	-62.77
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OC(C)C	REAL300012024128	0	51	0.0	-74.70	395.11	7.48	-67.22
CCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OCC	REAL300012024129	0	54	0.0	-74.97	420.37	8.59	-66.38
CO[C@@]1(C[NH2+]CC2=CC=C(C)C([N+](=O)[O-])=C2)C[C@@H](C(=O)[O-])C1	REAL300012024130	0	42	0.0	-80.61	340.93	7.98	-72.63
CO[C@@]1(C[NH2+]CC2=C(Cl)N(CC3=CC=C(F)C=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024131	0	50	0.0	-70.32	420.51	9.26	-61.06
CO[C@@]1(C[NH2+]CC2=CC=C(OC(C)C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024132	0	47	0.0	-71.40	364.97	7.59	-63.81
CCCCCCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024133	0	59	0.0	-70.37	453.34	10.84	-59.53
CO[C@@]1(C[NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024134	0	58	0.0	-69.03	427.65	11.06	-57.97
CO[C@@]1(C[NH2+]CC2=C(Br)C=CS2)C[C@@H](C(=O)[O-])C1	REAL300012024135	0	34	0.0	-63.62	304.65	6.35	-57.27
CO[C@@]1(C[NH2+]CC2=CC=CC=C2N2CCOCC2)C[C@@H](C(=O)[O-])C1	REAL300012024136	0	50	0.0	-65.75	380.01	6.31	-59.44
CO[C@@]1(C[NH2+]CC2=CC(F)=CC=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024137	0	37	0.0	-65.72	317.16	7.31	-58.41
CO[C@@]1(C[NH2+]CC2=CC=C(CC(C)C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024138	0	49	0.0	-68.31	375.89	9.38	-58.93
CO[C@@]1(C[NH2+]CC2=CC=CC(C3=CC=C(C)C=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024139	0	50	0.0	-70.57	390.59	10.80	-59.77
COC1=CC=C(Br)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024140	0	41	0.0	-62.99	339.88	6.60	-56.39
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300012024141	0	43	0.0	-87.25	350.00	7.43	-79.82
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024142	0	37	0.0	-74.41	328.18	7.71	-66.70
CO[C@@]1(C[NH2+]CC2=CC(F)=CC(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024143	0	37	0.0	-75.06	318.63	7.33	-67.73
CO[C@@]1(C[NH2+]CC2=CC(Br)=CO2)C[C@@H](C(=O)[O-])C1	REAL300012024144	0	34	0.0	-71.50	299.28	5.53	-65.97
CO[C@@]1(C[NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024145	0	50	0.0	-71.09	392.13	10.83	-60.26
CO[C@@]1(C[NH2+]CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024146	0	43	0.0	-78.65	374.54	8.76	-69.89
CO[C@@]1(C[NH2+]CC2=CC=CC(OC(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024147	0	41	0.0	-73.47	333.73	6.27	-67.20
CCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OCC	REAL300012024148	0	51	0.0	-75.10	398.87	7.79	-67.31
CO[C@@]1(C[NH2+]CC2=CC=C(Cl)C=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024149	0	37	0.0	-69.18	319.11	7.31	-61.87
CO[C@@]1(C[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024150	0	40	0.0	-78.81	347.14	8.13	-70.68
CO[C@@]1(C[NH2+]CC2=CC=C(F)C=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024151	0	37	0.0	-70.53	319.11	7.37	-63.16
CO[C@@]1(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024152	0	41	0.0	-73.80	342.83	6.56	-67.24
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CC=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024153	0	37	0.0	-67.61	317.26	7.26	-60.35
COC1=CC=CC=C1C1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024154	0	51	0.0	-71.07	403.88	9.80	-61.27
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)C[C@@H](C(=O)[O-])C1	REAL300012024155	0	47	0.0	-74.32	394.40	9.63	-64.69
CO[C@@]1(C[NH2+]CC2=CC=CC(Cl)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024156	0	37	0.0	-68.96	317.56	7.27	-61.69
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300012024157	0	47	0.0	-71.70	365.00	8.22	-63.48
CO[C@@]1(C[NH2+]CC2=NNC=C2C2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024158	0	44	0.0	-66.46	352.14	6.62	-59.84
CO[C@@]1(C[NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C[C@@H](C(=O)[O-])C1	REAL300012024158	1	44	0.0	-69.55	348.44	6.79	-62.76
CO[C@@]1(C[NH2+]CC2=NC3=CC=CC=C3N2C)C[C@@H](C(=O)[O-])C1	REAL300012024159	0	43	0.0	-72.86	341.37	7.06	-65.80
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(Br)=C1O	REAL300012024160	0	42	0.0	-70.95	351.47	4.45	-66.50
CO[C@@]1(C[NH2+]CC2=CSC(Br)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024161	0	34	0.0	-71.29	307.18	6.39	-64.90
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OCC1=CC=CN=C1	REAL300012024162	0	54	0.0	-78.59	432.13	8.15	-70.44
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CC=C2OCC2=CC=CN=C2)C[C@@H](C(=O)[O-])C1	REAL300012024163	0	50	0.0	-70.67	416.45	8.79	-61.88
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)C=C1OC	REAL300012024164	0	55	0.0	-67.76	426.05	9.28	-58.48
CO[C@@]1(C[NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024165	0	47	0.0	-70.57	369.20	10.12	-60.45
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C[C@@H](C(=O)[O-])C1	REAL300012024166	0	50	0.0	-67.51	401.15	8.31	-59.20
CO[C@@]1(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024167	0	48	0.0	-72.61	370.74	6.68	-65.93
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C(F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024168	0	37	0.0	-77.15	323.44	7.42	-69.73
CO[C@@]1(C[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024169	0	46	0.0	-70.10	366.70	8.59	-61.51
CO[C@@]1(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024170	0	46	0.0	-74.11	364.68	8.39	-65.72
CO[C@@]1(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024171	0	46	0.0	-75.34	365.91	8.41	-66.93
CO[C@@]1(C[NH2+]CC2=C(C)N(C(C)(C)C)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024172	0	52	0.0	-70.77	390.46	7.30	-63.47
CO[C@@]1(C[NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024173	1	54	0.0	-69.60	405.04	5.45	-64.15
CO[C@@]1(C[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024174	0	46	0.0	-77.05	378.24	5.31	-71.74
CNC(=O)C1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024175	0	44	0.0	-80.88	352.37	5.02	-75.86
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024176	0	44	0.0	-76.70	360.22	8.00	-68.70
CO[C@@]1(C[NH2+]CC2=C(C)N(C3=CC=C(Cl)C=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024177	0	50	0.0	-73.87	409.63	9.35	-64.52
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024178	0	44	0.0	-76.10	370.54	8.45	-67.65
CO[C@@]1(C[NH2+]CC2=C(C)N(C3=CC=C(F)C=C3F)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024179	0	50	0.0	-77.12	405.71	9.07	-68.05
CO[C@@]1(C[NH2+]CC2=C(Cl)N=C(SC3=CC=CC=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024180	0	44	0.0	-68.33	400.58	8.70	-59.63
CO[C@@]1(C[NH2+]CC2=CC(C)=C(OCC3=CC=CC=N3)C(C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024181	0	56	0.0	-73.45	444.89	9.97	-63.48
CO[C@@]1(C[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024182	0	44	0.0	-74.52	366.17	7.41	-67.11
CCOC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OCC1=CC=CC=C1	REAL300012024183	0	58	0.0	-76.57	458.78	10.85	-65.72
COC1=C2OC(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)=CC2=CC=C1	REAL300012024184	0	44	0.0	-74.88	351.85	6.51	-68.37
CO[C@@]1(C[NH2+]CC2=CC=C(C(C)C)C([N+](=O)[O-])=C2)C[C@@H](C(=O)[O-])C1	REAL300012024185	0	48	0.0	-82.71	376.48	8.89	-73.82
CO[C@@]1(C[NH2+]CC2=CC(Br)=C3OCOC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024186	0	40	0.0	-78.36	343.78	6.03	-72.33
CO[C@@]1(C[NH2+]CC2=C(C)N(CC3=CC=CC=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024187	0	53	0.0	-71.57	414.59	9.21	-62.36
CO[C@@]1(C[NH2+]CC2=C(C)N(CC3=CC=CC=C3Cl)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024188	0	53	0.0	-72.92	430.31	9.86	-63.06
CCOC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OCC(C)C	REAL300012024189	0	57	0.0	-74.64	440.48	9.27	-65.37
CO[C@@]1(C[NH2+]CC2=CC(Br)=CC=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024190	0	37	0.0	-67.07	323.67	7.41	-59.66
COC1=CC(Br)=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012024191	0	45	0.0	-69.40	368.59	6.48	-62.92
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024192	0	37	0.0	-69.32	323.68	7.42	-61.90
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC(OC)=C1	REAL300012024193	0	45	0.0	-70.51	355.76	5.38	-65.13
COC1=CC2=CC=C(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)C=C2C=C1	REAL300012024194	0	47	0.0	-73.48	371.27	8.29	-65.19
CO[C@@]1(C[NH2+]CC2=CC(Br)=CS2)C[C@@H](C(=O)[O-])C1	REAL300012024196	0	34	0.0	-69.50	307.59	6.46	-63.04
CCCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OCC	REAL300012024197	0	57	0.0	-74.92	441.87	9.38	-65.54
CO[C@@]1(C[NH2+]CC2=C(C)N(C3=CC=CC=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024198	0	50	0.0	-74.77	391.16	8.82	-65.95
COC1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1OC(F)F	REAL300012024199	0	45	0.0	-67.36	361.55	6.34	-61.02
CO[C@@]1(C[NH2+]CC2=CC=C(CSC(F)F)O2)C[C@@H](C(=O)[O-])C1	REAL300012024200	0	41	0.0	-72.25	355.02	7.26	-64.99
CO[C@@]1(C[NH2+]CC2=CC3=CC=CC=C3N=C2N2CCCCC2)C[C@@H](C(=O)[O-])C1	REAL300012024201	0	57	0.0	-70.05	432.42	9.97	-60.08
CO[C@@]1(C[NH2+]CC2=CC3=CC=CC=C3NC2=O)C[C@@H](C(=O)[O-])C1	REAL300012024202	0	43	0.0	-68.01	346.25	5.78	-62.23
CO[C@@]1(C[NH2+]CC2=CC=C(F)C(Br)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024204	0	37	0.0	-78.18	321.71	7.35	-70.83
CO[C@@]1(C[NH2+]CC2=CC=C(OCC3=CC=C(C)C=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024205	0	54	0.0	-72.64	429.49	10.72	-61.92
CO[C@@]1(C[NH2+]CC2=CC=C(N3CCCCC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024206	0	52	0.0	-68.62	387.46	7.98	-60.64
CCCCCCOC1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024207	0	56	0.0	-68.78	434.16	10.13	-58.65
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1SC	REAL300012024208	0	45	0.0	-75.16	365.73	7.11	-68.05
CO[C@@]1(C[NH2+]CC2=CC=CC(OCCCC#N)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024209	0	48	0.0	-75.65	390.51	8.31	-67.34
CCCCCOC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OC	REAL300012024210	0	57	0.0	-75.10	441.52	9.24	-65.86
CCC(C)OC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OC	REAL300012024211	0	54	0.0	-74.79	414.99	8.26	-66.53
CCCCCCCOC1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024212	0	59	0.0	-68.75	455.66	10.91	-57.84
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OCCCC#N	REAL300012024213	0	52	0.0	-84.38	417.66	8.14	-76.24
C=C(C)COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OC	REAL300012024214	0	52	0.0	-75.78	407.66	8.16	-67.62
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OCCC(C)C	REAL300012024215	0	57	0.0	-75.26	437.59	8.98	-66.28
C=CCC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC(OC)=C1O	REAL300012024216	0	49	0.0	-74.75	389.85	5.86	-68.89
CO[C@@]1(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C[C@@H](C(=O)[O-])C1	REAL300012024217	0	44	0.0	-77.50	355.20	6.67	-70.83
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024218	0	46	0.0	-74.33	372.68	7.65	-66.68
CO[C@@]1(C[NH2+]CC2=C(OCC(F)(F)F)N(C)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024219	0	47	0.0	-73.04	392.22	5.24	-67.80
CCOC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OCC(F)(F)F	REAL300012024220	0	51	0.0	-78.73	418.45	8.26	-70.47
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C[C@@H](C(=O)[O-])C1	REAL300012024221	0	43	0.0	-73.53	347.88	6.55	-66.98
CO[C@@]1(C[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C[C@@H](C(=O)[O-])C1	REAL300012024222	0	43	0.0	-71.52	359.64	7.53	-63.99
CO[C@@]1(C[NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024223	0	50	0.0	-75.75	390.48	5.89	-69.86
CO[C@@]1(C[NH2+]CC2=CC=C3C(=C2)N=CN3C)C[C@@H](C(=O)[O-])C1	REAL300012024224	0	43	0.0	-76.01	344.80	8.10	-67.91
C=CCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300012024225	0	45	0.0	-75.60	375.55	8.07	-67.53
CO[C@@]1(C[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024226	0	43	0.0	-71.87	361.57	7.76	-64.11
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C2OC(C)CC2=C1	REAL300012024227	0	49	0.0	-66.59	381.19	6.58	-60.01
CO[C@@]1(C[NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024228	0	48	0.0	-71.63	372.36	7.95	-63.68
CO[C@@]1(C[NH2+]CC2=COC(C3=CC=CC=C3)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024229	0	43	0.0	-71.97	351.14	5.12	-66.85
CO[C@@]1(C[NH2+]CC2=CSC(C3=CC=CS3)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024230	0	40	0.0	-70.10	351.92	6.56	-63.54
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=CC(C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024231	0	47	0.0	-72.44	372.15	7.24	-65.20
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024232	0	40	0.0	-76.65	350.49	8.21	-68.44
CO[C@@]1(C[NH2+]CC2=CC(Br)=CC(C(F)(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024233	0	40	0.0	-76.69	354.72	8.29	-68.40
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024234	0	37	0.0	-67.85	328.49	7.75	-60.10
CO[C@@]1(C[NH2+]CC2=CC=C(C)C=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024235	0	40	0.0	-62.82	333.20	8.02	-54.80
CO[C@@]1(C[NH2+]CC2=CC=C(OCC(C)C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024236	0	50	0.0	-70.39	387.45	8.41	-61.98
COCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024237	0	48	0.0	-72.65	379.47	6.19	-66.46
CO[C@@]1(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3C#N)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024238	0	52	0.0	-75.00	425.20	10.45	-64.55
CO[C@@]1(C[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024239	0	41	0.0	-76.38	350.54	6.84	-69.54
CO[C@@]1(C[NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024240	0	45	0.0	-75.73	388.56	8.17	-67.56
CO[C@@]1(C[NH2+]CC2=C(Cl)N(C)N=C2C2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024241	0	47	0.0	-65.83	389.17	8.21	-57.62
COC1=CC2=C(C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1)OCO2	REAL300012024242	0	44	0.0	-69.53	350.92	4.78	-64.75
CO[C@@]1(C[NH2+]CC2=CN=CC3=CC=CC=C32)C[C@@H](C(=O)[O-])C1	REAL300012024243	0	42	0.0	-69.89	331.41	7.08	-62.81
CO[C@@]1(C[NH2+]CC2=CC=CC(OCC(C)C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024244	0	50	0.0	-69.34	388.85	8.46	-60.88
CO[C@@]1(C[NH2+]CC2=CN=CC(Br)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024245	0	36	0.0	-75.42	313.23	5.62	-69.80
CO[C@@]1(C[NH2+]CC2=CC=C3C(=C2)N=NN3C)C[C@@H](C(=O)[O-])C1	REAL300012024246	0	42	0.0	-83.17	340.40	5.21	-77.96
CO[C@@]1(C[NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C[C@@H](C(=O)[O-])C1	REAL300012024247	0	48	0.0	-63.32	371.70	7.92	-55.40
CO[C@@]1(C[NH2+]CC2=CC(Br)=CC3=C2OCC3)C[C@@H](C(=O)[O-])C1	REAL300012024248	0	42	0.0	-67.35	354.11	7.26	-60.09
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024249	0	47	0.0	-70.27	374.05	7.85	-62.42
CO[C@@]1(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024250	0	44	0.0	-71.39	354.22	7.95	-63.44
CO[C@@]1(C[NH2+]CC2=CC(C)=C(Br)S2)C[C@@H](C(=O)[O-])C1	REAL300012024251	0	37	0.0	-71.35	325.97	7.13	-64.22
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C3=CC=CN=C23)C[C@@H](C(=O)[O-])C1	REAL300012024252	0	42	0.0	-69.22	354.71	7.80	-61.42
CO[C@@]1(C[NH2+]CC2=CC3=CC=C(C)N=C3C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024253	0	45	0.0	-76.12	359.48	7.74	-68.38
COC1=CC=C(OC2=CC=C(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)C=C2)C=C1	REAL300012024254	0	52	0.0	-76.38	415.49	8.93	-67.45
CO[C@@]1(C[NH2+]CC2=NC=CC=C2C(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024255	0	39	0.0	-61.32	318.90	5.79	-55.53
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC(C)=CC(C)=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024256	0	53	0.0	-71.83	413.56	11.50	-60.33
CO[C@@]1(C[NH2+]CC2=CC=C(N3C=NC=N3)C(C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024257	0	46	0.0	-79.70	364.95	10.19	-69.51
CO[C@@]1(C[NH2+]CC2=CC3=CC(F)=CC=C3O2)C[C@@H](C(=O)[O-])C1	REAL300012024258	0	40	0.0	-74.95	328.77	7.29	-67.66
CO[C@@]1(C[NH2+]CC2=CC=C(OCC(F)F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024259	0	44	0.0	-75.25	358.86	7.24	-68.01
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024260	0	47	0.0	-75.72	390.19	9.04	-66.68
CO[C@@]1(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024261	0	51	0.0	-71.23	412.69	10.06	-61.17
CCCCOC1=CC=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024262	0	50	0.0	-62.75	389.70	8.63	-54.12
CO[C@@]1(C[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024263	0	48	0.0	-74.91	397.08	10.86	-64.05
CO[C@@]1(C[NH2+]CC2=CC(C)=C(C)C=C2OC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024264	0	47	0.0	-68.54	371.48	7.55	-60.99
COC1=CC(C)=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012024265	0	48	0.0	-74.43	369.34	6.45	-67.98
CO[C@@]1(C[NH2+]CC2=NC3=CC(Cl)=CC=C3N2C)C[C@@H](C(=O)[O-])C1	REAL300012024266	0	43	0.0	-78.72	358.67	7.61	-71.11
CO[C@@]1(C[NH2+]CC2=C(Cl)C=CC=C2S(C)(=O)=O)C[C@@H](C(=O)[O-])C1	REAL300012024267	1	43	0.0	-67.19	356.46	4.80	-62.39
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024268	0	46	0.0	-75.68	379.26	6.19	-69.49
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CSC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024269	0	41	0.0	-71.26	342.29	5.59	-65.67
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C=C2SC)C[C@@H](C(=O)[O-])C1	REAL300012024270	0	41	0.0	-65.76	353.81	8.29	-57.47
CO[C@@]1(C[NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024271	0	47	0.0	-76.03	385.62	8.45	-67.58
CO[C@@]1(C[NH2+]CC2=NC3=C(CC(C)CC3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024272	0	46	0.0	-68.10	364.71	7.09	-61.01
CO[C@@]1(C[NH2+]CC2CCC(C(C)(C)C)CC2)C[C@@H](C(=O)[O-])C1	REAL300012024273	0	55	0.0	-66.65	377.26	8.78	-57.87
CO[C@@]1(C[NH2+]CC2=CC=C(OC(F)F)C(Br)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024274	0	41	0.0	-75.84	356.09	7.00	-68.84
CO[C@@]1(C[NH2+]CC2=CN(CC3=CC=C(C(F)(F)F)C=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024275	0	50	0.0	-76.52	417.94	9.39	-67.13
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024276	0	51	0.0	-66.39	396.75	9.48	-56.91
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024277	0	51	0.0	-66.39	396.71	9.47	-56.92
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024278	0	50	0.0	-71.42	393.89	7.77	-63.65
CO[C@@]1(C[NH2+]CC2=CC=C(OCC3CC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024279	0	48	0.0	-70.98	377.51	8.50	-62.48
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OC2=CC=C(F)C=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024280	0	48	0.0	-68.30	404.94	10.15	-58.15
COC1=CC(Cl)=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300012024281	0	41	0.0	-69.05	352.63	7.05	-62.00
CO[C@@]1(C[NH2+]CC2=CN=C(CC(C)C)S2)C[C@@H](C(=O)[O-])C1	REAL300012024282	0	45	0.0	-70.39	364.27	6.93	-63.46
CO[C@@]1(C[NH2+]CC2=CN=C(C3=CC=CS3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024283	0	40	0.0	-71.91	351.39	6.79	-65.12
CO[C@@]1(C[NH2+]CC2=CN=C(C3=CSC=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024284	0	40	0.0	-72.25	352.58	6.73	-65.52
CO[C@@]1(C[NH2+]CC2=CN=C(C3=CC=C(C)O3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024285	0	43	0.0	-74.04	364.20	6.62	-67.42
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024286	0	40	0.0	-71.33	332.94	8.00	-63.33
CO[C@@]1(C[NH2+]CC2=CC=C(Cl)C(Br)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024287	0	37	0.0	-76.98	330.83	7.76	-69.22
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=CC=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024288	0	44	0.0	-76.25	358.22	6.68	-69.57
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024289	0	46	0.0	-71.48	371.76	8.45	-63.03
CO[C@@]1(C[NH2+]CC2=C(Cl)OC3=CC=CC=C32)C[C@@H](C(=O)[O-])C1	REAL300012024290	0	40	0.0	-69.55	340.01	7.69	-61.86
COCCOC1=CC=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024291	0	48	0.0	-63.46	379.48	6.29	-57.17
CO[C@@]1(C[NH2+]CC2=CC=C(Cl)C=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024292	0	37	0.0	-69.69	329.44	7.81	-61.88
COC1=C(Br)C=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024293	0	41	0.0	-70.53	345.53	6.76	-63.77
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C2=CC=CS2)C[C@@H](C(=O)[O-])C1	REAL300012024294	0	44	0.0	-66.95	361.12	7.14	-59.81
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CC=C2OC2CCCC2)C[C@@H](C(=O)[O-])C1	REAL300012024295	0	51	0.0	-65.98	405.12	9.55	-56.43
COC1=CC(Br)=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(OC)=C1	REAL300012024296	0	45	0.0	-61.05	372.13	5.90	-55.15
CO[C@@]1(C[NH2+]CC2=C(Cl)C=CC=C2OC2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024297	0	48	0.0	-59.83	396.21	9.92	-49.91
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CCCO2)C[C@@H](C(=O)[O-])C1	REAL300012024298	0	52	0.0	-64.65	418.16	7.86	-56.79
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C(C)(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024299	0	56	0.0	-74.29	424.54	10.20	-64.09
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)C[C@@H](C(=O)[O-])C1	REAL300012024300	0	44	0.0	-72.36	363.14	8.71	-63.65
CO[C@@]1(C[NH2+]CC2=CN=C(C(C)(C)C)S2)C[C@@H](C(=O)[O-])C1	REAL300012024301	0	45	0.0	-69.99	362.09	6.50	-63.49
CO[C@@]1(C[NH2+]CC2=CC=C3OCCOC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024302	0	43	0.0	-73.46	341.29	5.92	-67.54
CO[C@@]1(C[NH2+]CC2=CC=CC(Br)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024303	0	37	0.0	-70.51	316.36	7.34	-63.17
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024304	0	44	0.0	-74.98	353.81	7.93	-67.05
CO[C@@]1(C[NH2+]CC2=CN(CC3=CC=CC=C3Cl)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024305	0	47	0.0	-73.49	392.10	8.86	-64.63
CO[C@@]1(C[NH2+]CC2=CC=C(NC(C)=O)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024306	0	44	0.0	-75.25	351.76	5.61	-69.64
CCN(CC)C1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024307	0	51	0.0	-66.23	390.10	9.02	-57.21
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024308	0	37	0.0	-72.64	315.78	7.32	-65.32
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC(OC)=C1OC	REAL300012024309	0	49	0.0	-78.75	387.80	5.85	-72.90
CO[C@@]1(C[NH2+]CC2=C(F)C=CC=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024310	0	37	0.0	-61.87	314.05	7.13	-54.74
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024311	0	41	0.0	-69.07	332.86	6.36	-62.71
COC1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1OC	REAL300012024312	0	45	0.0	-66.60	354.03	6.02	-60.58
CO[C@@]1(C[NH2+]CC2=CC=C(Cl)C=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024313	0	37	0.0	-67.67	323.92	7.64	-60.03
CO[C@@]1(C[NH2+]CC2=CC=C(N3CCOCC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024314	0	50	0.0	-70.29	379.67	5.57	-64.72
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012024315	0	45	0.0	-75.12	355.56	5.96	-69.16
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(OC)=C1	REAL300012024316	0	45	0.0	-66.43	352.31	5.34	-61.09
CO[C@@]1(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024317	0	40	0.0	-75.33	334.63	7.74	-67.59
CO[C@@]1(C[NH2+]CC2=CC=CC(Cl)=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024318	0	37	0.0	-67.60	323.35	7.64	-59.96
CO[C@@]1(C[NH2+]CC2=CC=C(Cl)C(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024319	0	37	0.0	-75.13	327.32	7.67	-67.46
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024320	0	58	0.0	-68.44	445.31	11.84	-56.60
CO[C@@]1(C[NH2+]CC2=CC=C(OC(F)F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024321	0	41	0.0	-73.50	335.67	6.34	-67.16
CO[C@@]1(C[NH2+]CC2=CC=CC=C2C(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024322	0	40	0.0	-66.22	323.56	7.79	-58.43
CCCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024323	0	50	0.0	-70.70	388.84	8.50	-62.20
CO[C@@]1(C[NH2+]CC2=CC=C(OCCC(C)C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024324	0	53	0.0	-70.63	406.41	9.02	-61.61
CCCCCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024325	0	56	0.0	-70.47	431.84	10.06	-60.41
CO[C@@]1(C[NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024326	0	48	0.0	-74.17	384.27	9.54	-64.63
CCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(OCCC)=C1	REAL300012024327	0	57	0.0	-65.93	439.56	8.82	-57.11
CCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012024328	0	48	0.0	-75.03	377.42	6.88	-68.15
CO[C@@]1(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024329	0	40	0.0	-74.84	334.52	7.75	-67.09
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(OC)=C1OC	REAL300012024330	0	49	0.0	-73.19	388.40	5.95	-67.24
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OCC1=CC=CC=C1	REAL300012024331	0	55	0.0	-75.96	437.32	9.93	-66.03
COC1=CC=C(Br)C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024332	0	41	0.0	-66.25	345.04	6.68	-59.57
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC(Br)=C1O	REAL300012024333	0	42	0.0	-78.28	357.10	4.53	-73.75
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024334	0	47	0.0	-71.31	368.70	10.11	-61.20
COC1=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300012024335	0	47	0.0	-63.58	365.89	8.20	-55.38
CO[C@@]1(C[NH2+]CC2=C(Cl)C=CC=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024336	0	37	0.0	-60.05	322.60	7.51	-52.54
COC1=CC(OC)=C(OC)C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024337	0	49	0.0	-69.77	382.28	5.31	-64.46
CO[C@@]1(C[NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024338	0	47	0.0	-70.54	388.11	8.68	-61.86
CO[C@@]1(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024339	0	51	0.0	-70.17	405.76	9.97	-60.20
CO[C@@]1(C[NH2+]CC2=CC=CC=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024340	0	37	0.0	-64.53	311.21	7.33	-57.20
CO[C@@]1(C[NH2+]CC2=C(Cl)N(C)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024341	0	40	0.0	-68.36	332.88	5.34	-63.02
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=C(Br)C=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024342	0	44	0.0	-76.16	375.10	8.55	-67.61
CO[C@@]1(C[NH2+]CC2=CN(CC(F)(F)F)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024343	0	40	0.0	-77.52	337.89	5.91	-71.61
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C(C)(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024344	0	49	0.0	-70.08	366.26	6.75	-63.33
CO[C@@]1(C[NH2+]CC2=CC=CC=C2I)C[C@@H](C(=O)[O-])C1	REAL300012024345	0	37	0.0	-63.91	317.53	7.80	-56.11
CO[C@@]1(C[NH2+]CC2=CC=C(OC(F)F)C=C2OC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024346	0	45	0.0	-73.86	373.64	5.96	-67.90
CO[C@@]1(C[NH2+]CC2=CC=C(N3CCCCC3)C([N+](=O)[O-])=C2)C[C@@H](C(=O)[O-])C1	REAL300012024347	0	54	0.0	-81.89	419.49	10.00	-71.89
CO[C@@]1(C[NH2+]CC2=CC=C(N(C)CCC#N)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024348	0	49	0.0	-73.26	389.40	8.57	-64.69
CO[C@@]1(C[NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)C[C@@H](C(=O)[O-])C1	REAL300012024349	0	47	0.0	-68.28	375.79	8.49	-59.79
CCOC1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1OC	REAL300012024350	0	48	0.0	-66.62	376.18	6.96	-59.66
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OCC(N)=O	REAL300012024351	0	49	0.0	-89.43	393.75	3.92	-85.51
C#CCOC1=CC=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024352	0	43	0.0	-63.69	350.26	7.53	-56.16
CCNC(=O)COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012024353	0	55	0.0	-86.00	437.57	6.20	-79.80
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC2=C1OCO2	REAL300012024354	0	44	0.0	-80.42	352.40	4.70	-75.72
CO[C@@]1(C[NH2+]CC2=NN(C3=CC=CC=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024355	0	43	0.0	-73.58	349.43	6.50	-67.08
COC1=CC2=C(C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1)OC(C)C2	REAL300012024356	0	49	0.0	-66.50	382.23	6.77	-59.73
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC(OC)=C1OCC(N)=O	REAL300012024357	0	53	0.0	-88.26	426.91	3.72	-84.54
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC(Cl)=C1OCC(N)=O	REAL300012024358	0	49	0.0	-85.87	414.11	4.58	-81.29
CCN(C(C)=O)C1=NC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CS1	REAL300012024359	1	46	0.0	-69.90	373.93	6.53	-63.37
COC1=CC=CC(OC)=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024360	0	45	0.0	-59.89	351.03	5.42	-54.47
CO[C@@]1(C[NH2+]CC2=CC=CC(I)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024361	0	37	0.0	-70.76	324.29	7.85	-62.91
CO[C@@]1(C[NH2+]CC2=CC=C(I)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024362	0	37	0.0	-71.83	322.76	7.82	-64.01
CO[C@@]1(C[NH2+]CC2=CC=C(SC)S2)C[C@@H](C(=O)[O-])C1	REAL300012024363	0	38	0.0	-68.99	329.41	7.06	-61.93
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=C(C(F)(F)F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024364	0	47	0.0	-73.67	382.41	7.52	-66.15
CO[C@@]1(C[NH2+]CC2=CC=CC=C2C2=CC=CC=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024365	0	50	0.0	-61.30	383.37	10.57	-50.73
CO[C@@]1(C[NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024366	0	43	0.0	-81.41	355.18	4.21	-77.20
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024367	0	47	0.0	-72.51	386.48	10.65	-61.86
COC1=CC=C(Cl)C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024368	0	41	0.0	-65.71	341.61	6.63	-59.08
COC(=O)C1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CN1C	REAL300012024369	0	44	0.0	-73.85	354.51	6.92	-66.93
CO[C@@]1(C[NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024370	0	50	0.0	-72.97	399.50	8.33	-64.64
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C=N2)C[C@@H](C(=O)[O-])C1	REAL300012024371	0	36	0.0	-71.51	312.10	5.52	-65.99
CO[C@@]1(C[NH2+]CC2=CN=C(N3CCOCC3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024372	0	46	0.0	-72.36	369.57	4.05	-68.31
C#CCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024373	0	46	0.0	-71.73	373.12	8.24	-63.49
CO[C@@]1(C[NH2+]CC2=CN=C3C(=C2)C(C)=NN3C)C[C@@H](C(=O)[O-])C1	REAL300012024374	0	45	0.0	-81.39	361.31	6.44	-74.95
CO[C@@]1(C[NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C[C@@H](C(=O)[O-])C1	REAL300012024375	0	40	0.0	-68.67	338.67	7.72	-60.95
CCOCC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OC	REAL300012024376	0	51	0.0	-69.26	398.99	6.94	-62.32
CO[C@@]1(C[NH2+]CC2=NC=CN2CC(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024377	0	40	0.0	-70.58	332.20	6.20	-64.38
CO[C@@]1(C[NH2+]CC2=CSC(C3=CC=C4OCOC4=C3)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024378	0	46	0.0	-73.27	385.37	6.15	-67.12
CO[C@@]1(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024379	0	40	0.0	-67.20	348.96	8.30	-58.90
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C=C2C(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024380	0	40	0.0	-69.84	344.79	8.41	-61.43
CO[C@@]1(C[NH2+]CC2=C(F)C=CC=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024381	0	37	0.0	-61.20	318.81	7.26	-53.94
CO[C@@]1(C[NH2+]CC2=CSC=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024382	0	34	0.0	-64.04	303.80	6.25	-57.79
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OCC(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024383	0	50	0.0	-63.52	387.45	8.53	-54.99
CO[C@@]1(C[NH2+]CC2=NC3=C(CCCC3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024384	0	43	0.0	-68.17	344.07	6.46	-61.71
CO[C@@]1(C[NH2+]CC2=CC(F)=CC(Br)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024385	0	37	0.0	-74.10	322.68	7.40	-66.70
CO[C@@]1(C[NH2+]CC2=CC3=CC=NC=C3C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024386	0	42	0.0	-76.41	337.81	7.24	-69.17
CO[C@@]1(C[NH2+]CC2=CC=CC(F)=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024387	0	37	0.0	-71.12	318.43	7.34	-63.78
CO[C@@]1(C[NH2+]CC2=CC=CC(Br)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024388	0	37	0.0	-72.33	321.68	7.35	-64.98
CO[C@@]1(C[NH2+]CC2=CN=C(C(C)(C)C)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024389	0	47	0.0	-75.56	368.44	6.71	-68.85
CO[C@@]1(C[NH2+]CC2=CC=C(S(C)=O)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024390	0	42	0.0	-83.47	348.64	5.35	-78.12
CO[C@@]1(C[NH2+]CC2=CC=C3CCCCC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024391	0	47	0.0	-68.47	357.41	9.18	-59.29
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(C)=C1OC	REAL300012024392	0	48	0.0	-73.04	371.13	6.68	-66.36
CO[C@@]1(C[NH2+]CC2=CSC(Cl)=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024393	0	34	0.0	-70.12	316.94	6.74	-63.38
CO[C@@]1(C[NH2+]CC2=CN=C(C(F)(F)F)S2)C[C@@H](C(=O)[O-])C1	REAL300012024394	0	36	0.0	-77.78	322.88	5.17	-72.61
CO[C@@]1(C[NH2+]CC2=CC=CC(S(C)(=O)=O)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024395	0	43	0.0	-79.20	357.25	4.27	-74.93
CO[C@@]1(C[NH2+]CC2=CC=C(C3CCCC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024396	0	50	0.0	-68.23	379.42	9.93	-58.30
CO[C@@]1(C[NH2+]CC2=NC=CN2C2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024397	0	44	0.0	-62.91	350.01	8.42	-54.49
CO[C@@]1(C[NH2+]CC2=CC=NN2C2CCCC2)C[C@@H](C(=O)[O-])C1	REAL300012024398	0	47	0.0	-75.30	361.68	7.21	-68.09
COC1=CC2=CC=CC=C2C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024399	0	47	0.0	-67.38	368.81	8.36	-59.02
COC1=CC(C)=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(C)=N1	REAL300012024400	0	46	0.0	-72.87	355.83	4.47	-68.40
COC1=CC=CC(Cl)=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024401	0	41	0.0	-59.78	337.67	6.51	-53.27
CCC1=CC(OC)=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024402	0	47	0.0	-69.29	357.41	7.27	-62.02
CO[C@@]1(C[NH2+]CC2=CN=C(C)N2C2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024403	0	47	0.0	-66.34	370.97	9.14	-57.20
CCCN1N=C(C)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1C	REAL300012024404	0	49	0.0	-69.89	379.15	7.08	-62.81
CO[C@@]1(C[NH2+]CC2=CC=C(C3CCC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024405	0	47	0.0	-68.63	361.16	9.32	-59.31
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300012024406	0	47	0.0	-72.71	369.44	8.32	-64.39
CCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1F	REAL300012024407	0	44	0.0	-76.02	354.02	7.06	-68.96
COC1=CC=CC2=C(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300012024408	0	47	0.0	-72.84	364.79	8.23	-64.61
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1C#N	REAL300012024409	0	42	0.0	-84.03	346.52	6.48	-77.55
CO[C@@]1(C[NH2+]CC2=CC=NN2C2=CC=CC=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024410	0	47	0.0	-70.99	370.36	8.58	-62.41
CO[C@@]1(C[NH2+]CC2=NC=C(C(F)(F)F)S2)C[C@@H](C(=O)[O-])C1	REAL300012024411	0	36	0.0	-72.75	320.05	5.01	-67.74
CO[C@@]1(C[NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C[C@@H](C(=O)[O-])C1	REAL300012024412	0	44	0.0	-75.37	359.78	5.03	-70.34
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(Br)=C1	REAL300012024413	0	41	0.0	-69.03	342.18	6.59	-62.44
CO[C@@]1(C[NH2+]CC2=C(Br)C=C(C)S2)C[C@@H](C(=O)[O-])C1	REAL300012024414	0	37	0.0	-62.59	328.36	7.20	-55.39
CO[C@@]1(C[NH2+]CC2=CC=CC(C(=O)OC(C)(C)C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024415	0	52	0.0	-75.65	404.40	9.40	-66.25
CO[C@@]1(C[NH2+]CC2=C(Cl)C=CC=C2SC(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024416	0	47	0.0	-58.08	383.66	9.38	-48.70
CO[C@@]1(C[NH2+]CC2=CC=C3C(=C2)CCC(=O)N3C)C[C@@H](C(=O)[O-])C1	REAL300012024417	0	48	0.0	-79.07	372.50	7.66	-71.41
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024418	0	52	0.0	-65.89	420.95	10.03	-55.86
CO[C@@]1(C[NH2+]CC2=CC(C)=CC=C2OC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024419	0	44	0.0	-68.55	355.12	7.04	-61.51
CO[C@@]1(C[NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024420	0	43	0.0	-72.85	376.75	8.26	-64.59
CO[C@@]1(C[NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)C[C@@H](C(=O)[O-])C1	REAL300012024421	0	43	0.0	-71.84	365.49	7.77	-64.07
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024422	0	54	0.0	-65.57	421.27	10.23	-55.34
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)C[C@@H](C(=O)[O-])C1	REAL300012024423	0	48	0.0	-65.46	392.94	9.06	-56.40
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC(OC)=C1OCC(F)F	REAL300012024424	0	52	0.0	-83.15	423.19	7.12	-76.03
CO[C@@]1(C[NH2+]CC2=CC=NC3=C(Br)C=CC=C23)C[C@@H](C(=O)[O-])C1	REAL300012024425	0	42	0.0	-81.53	352.37	7.73	-73.80
CO[C@@]1(C[NH2+]CC2=CN=C(C3CCCC3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024426	0	46	0.0	-69.61	366.39	7.32	-62.29
CO[C@@]1(C[NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)C[C@@H](C(=O)[O-])C1	REAL300012024427	0	43	0.0	-73.15	368.99	7.99	-65.16
CO[C@@]1(C[NH2+]CC2=CN=C(C3=CC=CO3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024428	0	40	0.0	-73.85	343.31	5.81	-68.04
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024429	0	37	0.0	-75.30	331.53	7.78	-67.52
CO[C@@]1(C[NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024430	0	49	0.0	-71.30	404.56	9.23	-62.07
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CN(C)N=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024431	0	47	0.0	-75.15	376.54	8.05	-67.10
CO[C@@]1(C[NH2+]CC2=CN(CC(F)F)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024432	0	40	0.0	-74.51	333.13	5.70	-68.81
CO[C@@]1(C[NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024433	0	48	0.0	-75.05	391.39	9.70	-65.35
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C2=CC=C(F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024434	0	47	0.0	-73.72	380.80	7.96	-65.76
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C2=CC=C(C#N)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024435	0	48	0.0	-81.66	395.38	8.29	-73.37
CO[C@@]1(C[NH2+]CC2=CC=C(C(=O)N(C)C)N2)C[C@@H](C(=O)[O-])C1	REAL300012024436	0	45	0.0	-85.06	352.16	4.87	-80.19
CO[C@@]1(C[NH2+]CC2=CC=C(N(C)C3=CC=CC=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024437	0	51	0.0	-76.85	403.21	9.15	-67.70
CCC1=NN(C)C(CC)=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024438	0	49	0.0	-70.12	371.63	7.00	-63.12
CO[C@@]1(C[NH2+]CC2=CN=C(C3CCC3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024439	0	43	0.0	-69.69	350.38	6.87	-62.82
CO[C@@]1(C[NH2+]CC2=CN=C(C3CCCO3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024440	0	44	0.0	-72.60	359.44	4.95	-67.65
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=CC=C3C)N=N2)C[C@@H](C(=O)[O-])C1	REAL300012024441	0	46	0.0	-75.08	370.83	7.50	-67.58
CO[C@@]1(C[NH2+]CC2=CC(Br)=NN2C)C[C@@H](C(=O)[O-])C1	REAL300012024442	0	37	0.0	-78.09	319.14	4.83	-73.26
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CN(C)N=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024443	0	44	0.0	-72.51	370.71	7.44	-65.07
CO[C@@]1(C[NH2+]CC2=CC=C3OCCCCOC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024444	0	49	0.0	-74.92	373.76	7.58	-67.34
CCOC1=C(Cl)C=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024445	0	44	0.0	-69.49	362.39	7.62	-61.87
CO[C@@]1(C[NH2+]CC2=CC=C(F)C(Cl)=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024446	0	37	0.0	-74.96	328.17	7.70	-67.26
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024447	0	48	0.0	-72.92	381.27	7.10	-65.82
CO[C@@]1(C[NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024448	0	41	0.0	-64.31	345.39	6.63	-57.68
CO[C@@]1(C[NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024449	0	44	0.0	-76.00	358.28	7.70	-68.30
CO[C@@]1(C[NH2+]CC2=CC=C(C)C=C2C2=CN(C)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024450	0	50	0.0	-64.73	386.59	8.51	-56.22
CO[C@@]1(C[NH2+]CC2=CC=C(C)C=C2C2=CC=NN2C)C[C@@H](C(=O)[O-])C1	REAL300012024451	0	50	0.0	-65.95	389.17	8.23	-57.72
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024452	0	47	0.0	-76.94	394.33	8.98	-67.96
CO[C@@]1(C[NH2+]CC2=CC(Cl)=C(C)C=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024453	0	40	0.0	-64.98	346.74	8.36	-56.62
CO[C@@]1(C[NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024454	0	47	0.0	-69.38	394.66	8.73	-60.65
CO[C@@]1(C[NH2+]CC2=NC=C(C(C)(C)C)S2)C[C@@H](C(=O)[O-])C1	REAL300012024455	0	45	0.0	-66.31	361.06	6.50	-59.81
CO[C@@]1(C[NH2+]CC2=CN(CCC#N)N=C2C2=CC=NC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024456	0	50	0.0	-80.13	410.89	7.48	-72.65
CO[C@@]1(C[NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)C[C@@H](C(=O)[O-])C1	REAL300012024457	0	43	0.0	-64.52	356.21	10.30	-54.22
COC(=O)C1=C(C)N(C)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024458	0	47	0.0	-77.54	372.21	7.24	-70.30
COCCCN1N=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024459	0	47	0.0	-74.66	369.69	5.10	-69.56
CO[C@@]1(C[NH2+]CC2=C(F)C=C(C)C=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024460	0	40	0.0	-61.70	337.26	7.85	-53.85
COCCOCC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024461	0	51	0.0	-71.10	405.52	6.68	-64.42
CO[C@@]1(C[NH2+]CC2=NC=C(CSC)S2)C[C@@H](C(=O)[O-])C1	REAL300012024462	0	40	0.0	-68.43	345.89	5.85	-62.58
CO[C@@]1(C[NH2+]CC2=CSC=C2C(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024463	0	37	0.0	-66.94	315.74	6.64	-60.30
CO[C@@]1(C[NH2+]CC2=C(C)C3=CC=CC(Cl)=C3S2)C[C@@H](C(=O)[O-])C1	REAL300012024464	0	43	0.0	-71.80	365.12	9.21	-62.59
CO[C@@]1(C[NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024465	0	51	0.0	-75.29	419.85	9.16	-66.13
CO[C@@]1(C[NH2+]CC2=CC=C(F)C=C2I)C[C@@H](C(=O)[O-])C1	REAL300012024466	0	37	0.0	-65.62	324.88	7.80	-57.82
CO[C@@]1(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024467	0	40	0.0	-80.21	334.60	5.82	-74.39
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C2=CC=C(C)O2)C[C@@H](C(=O)[O-])C1	REAL300012024468	0	47	0.0	-67.51	378.94	7.15	-60.36
CO[C@@]1(C[NH2+]CC2=CC(Br)=CN=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024469	0	36	0.0	-70.96	322.77	5.91	-65.05
CO[C@@]1(C[NH2+]CC2=CC(OC(F)F)=CC=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024470	0	41	0.0	-68.50	349.12	6.85	-61.65
COC(=O)C1=C(C)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CN1	REAL300012024471	0	44	0.0	-76.14	353.28	5.68	-70.46
CO[C@@]1(C[NH2+]CC2=CN=C(C3=CC=C(C)C(C)=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024472	0	49	0.0	-71.40	398.38	8.94	-62.46
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=CC=C3F)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024473	0	47	0.0	-71.83	376.28	8.48	-63.35
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=CC=C3Cl)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024474	0	47	0.0	-74.90	391.51	9.27	-65.63
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=C(C)C=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024475	0	50	0.0	-74.60	394.86	9.20	-65.40
CO[C@@]1(C[NH2+]CC2=CC=C(C(C)(C)C#N)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024476	0	47	0.0	-73.61	372.43	8.70	-64.91
CO[C@@]1(C[NH2+]CC2=CN=NN2C2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024477	0	43	0.0	-76.63	346.91	6.40	-70.23
COC1=CC(OC)=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1F	REAL300012024478	0	45	0.0	-70.47	359.56	5.48	-64.99
COC1=CC(F)=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012024479	0	45	0.0	-70.78	359.75	6.00	-64.78
CO[C@@]1(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024480	0	51	0.0	-72.45	416.10	10.21	-62.24
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=CC(C)=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024481	0	50	0.0	-74.41	396.60	9.22	-65.19
CCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300012024482	0	50	0.0	-69.59	384.49	8.41	-61.18
CO[C@@]1(C[NH2+]CC2=CC3=CC=NC=C3S2)C[C@@H](C(=O)[O-])C1	REAL300012024483	0	39	0.0	-75.15	327.93	6.51	-68.64
CO[C@@]1(C[NH2+]CC2=CC3=CC(Br)=CC=C3O2)C[C@@H](C(=O)[O-])C1	REAL300012024484	0	40	0.0	-74.11	345.98	7.90	-66.21
CCC1=C2OC(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)=CC2=CC=C1	REAL300012024485	0	46	0.0	-72.80	366.03	8.66	-64.14
CO[C@@]1(C[NH2+]CC2=CC=CC(OC3CC3)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024486	0	45	0.0	-68.21	363.95	7.84	-60.37
CCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300012024487	0	47	0.0	-69.76	362.98	7.61	-62.15
CO[C@@]1(C[NH2+]CC2=CC=CC(F)=C2OC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024488	0	41	0.0	-71.66	339.71	6.44	-65.22
CO[C@@]1(C[NH2+]CC2=CC(F)=CC=C2OC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024489	0	41	0.0	-71.00	340.18	6.45	-64.55
CO[C@@]1(C[NH2+]CC2=CC=CC(C3CCCC3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024490	0	50	0.0	-67.76	378.64	9.90	-57.86
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C2=CN(C)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024491	0	47	0.0	-70.60	378.44	5.69	-64.91
CO[C@@]1(C[NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024492	0	43	0.0	-73.16	376.73	8.25	-64.91
CO[C@@]1(C[NH2+]CC2=CSC(C(F)(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024493	0	37	0.0	-75.77	326.09	6.88	-68.89
CO[C@@]1(C[NH2+]CC2=CC=C(C(F)(F)F)O2)C[C@@H](C(=O)[O-])C1	REAL300012024494	0	37	0.0	-75.72	317.16	6.07	-69.65
CO[C@@]1(C[NH2+]CC2=C(C(F)(F)F)SC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024495	0	37	0.0	-63.99	316.27	6.84	-57.15
CO[C@@]1(C[NH2+]CC2=CC=C(F)C(F)=C2N(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024496	0	45	0.0	-73.39	356.53	6.75	-66.64
CO[C@@]1(C[NH2+]CC2=C(F)C=CC(F)=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024497	0	37	0.0	-64.75	320.22	7.19	-57.56
CO[C@@]1(C[NH2+]CC2=CC(Cl)=C(OC(C)C)C=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024498	0	47	0.0	-68.47	392.53	8.62	-59.85
CO[C@@]1(C[NH2+]CC2=CC=C(OC3CCOC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024499	0	49	0.0	-73.14	380.67	6.37	-66.77
CO[C@@]1(C[NH2+]CC2=CC(F)=C(N(C)C)C=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024500	0	45	0.0	-69.84	360.39	6.29	-63.55
COC(=O)C1=C2CCCCN2C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024501	0	51	0.0	-77.70	397.57	8.48	-69.22
CO[C@@]1(C[NH2+]CC2=CC=C(F)C(F)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024502	0	37	0.0	-75.30	312.10	6.89	-68.41
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC(C(F)(F)F)=C1	REAL300012024503	0	44	0.0	-74.03	364.37	7.07	-66.96
C=CCOC1=C(Cl)C=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012024504	0	49	0.0	-77.35	410.28	8.13	-69.22
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC1CC1	REAL300012024505	0	49	0.0	-76.27	384.98	7.57	-68.70
CO[C@@]1(C[NH2+]CC2=CC(C(F)(F)F)=NN2C)C[C@@H](C(=O)[O-])C1	REAL300012024506	0	40	0.0	-82.32	338.31	5.30	-77.02
COCC(C)OC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024507	0	51	0.0	-73.40	397.02	6.94	-66.46
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OCC2=CC=C(F)C=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024508	0	51	0.0	-70.72	415.03	10.30	-60.42
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024509	0	44	0.0	-71.60	363.22	9.37	-62.23
CO[C@@]1(C[NH2+]CC2=CC=NN2CCC2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024510	0	50	0.0	-74.68	393.73	8.89	-65.79
CO[C@@]1(C[NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024511	0	44	0.0	-75.37	372.14	7.59	-67.78
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1C(C)(C)C	REAL300012024512	0	53	0.0	-70.68	397.09	8.74	-61.94
CO[C@@]1(C[NH2+]CC2=CC=CC(CC3CCC3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024513	0	50	0.0	-68.23	386.52	10.26	-57.97
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024514	0	45	0.0	-61.58	367.79	5.93	-55.65
CO[C@@]1(C[NH2+]CC2=CC(C)=C(Br)C=N2)C[C@@H](C(=O)[O-])C1	REAL300012024515	0	39	0.0	-71.09	330.63	6.11	-64.98
CO[C@@]1(C[NH2+]CC2=CC(C)=C(F)C=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024516	0	40	0.0	-68.59	337.83	8.02	-60.57
CO[C@@]1(C[NH2+]CC2=C(O)C=CC=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024517	0	38	0.0	-62.98	324.57	4.46	-58.52
CO[C@@]1(C[NH2+]CC2=CSC(C3=CN(C)N=C3)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024518	0	43	0.0	-72.63	363.99	5.27	-67.36
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300012024519	0	41	0.0	-75.82	342.35	6.61	-69.21
CO[C@@]1(C[NH2+]CC2=CC=NN2CC2CCC2)C[C@@H](C(=O)[O-])C1	REAL300012024520	0	47	0.0	-73.79	365.23	7.24	-66.55
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)C[C@@H](C(=O)[O-])C1	REAL300012024521	0	43	0.0	-75.38	354.83	6.61	-68.77
CO[C@@]1(C[NH2+]CC2=CC=CC=C2CC(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024522	0	43	0.0	-67.39	344.68	8.31	-59.08
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024523	0	37	0.0	-69.56	318.60	5.00	-64.56
CO[C@@]1(C[NH2+]CC2=CC=CC(NC(C)=O)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024524	0	44	0.0	-77.60	351.62	5.59	-72.01
CO[C@@]1(C[NH2+]CC2=CN=C3C(=C2)C=NN3C)C[C@@H](C(=O)[O-])C1	REAL300012024525	0	42	0.0	-81.13	340.73	5.89	-75.24
CO[C@@]1(C[NH2+]CC2=NC=C(Br)C=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024526	0	36	0.0	-66.27	316.12	5.49	-60.78
COC1=CC(Cl)=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300012024527	0	45	0.0	-68.28	365.55	6.39	-61.89
CO[C@@]1(C[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024528	0	43	0.0	-71.37	355.46	8.48	-62.89
CO[C@@]1(C[NH2+]CC2=CC=CC(CNC(=O)OC(C)(C)C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024529	0	57	0.0	-74.48	444.68	7.21	-67.27
CO[C@@]1(C[NH2+]CC2=C3CCCCC3=NN2C)C[C@@H](C(=O)[O-])C1	REAL300012024530	0	47	0.0	-75.35	360.60	6.75	-68.60
CCOC(=O)C1=C(C)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C(C)N1	REAL300012024531	0	50	0.0	-74.91	395.88	7.13	-67.78
CO[C@@]1(C[NH2+]CC2=CN=C(Cl)C(F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024532	0	36	0.0	-81.80	314.14	5.45	-76.35
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024533	0	47	0.0	-74.50	388.44	10.67	-63.83
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C(F)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024534	0	37	0.0	-74.00	326.41	7.43	-66.57
CO[C@@]1(C[NH2+]CC2=C(Br)SC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024535	0	34	0.0	-63.58	303.82	6.39	-57.19
CCOC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C(F)C=C1OC	REAL300012024536	0	48	0.0	-69.99	380.03	6.89	-63.10
COC1=NC=C(Br)C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024537	0	40	0.0	-68.19	343.93	4.13	-64.06
CO[C@@]1(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)C[C@@H](C(=O)[O-])C1	REAL300012024538	0	43	0.0	-74.85	342.20	8.90	-65.95
CO[C@@]1(C[NH2+]CC2=CC=CN=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024539	0	36	0.0	-70.95	305.98	5.43	-65.52
CO[C@@]1(C[NH2+]CC2=CNN=C2CN2C(=O)C3=CC=CC=C3C2=O)C[C@@H](C(=O)[O-])C1	REAL300012024540	0	51	0.0	-73.51	415.27	6.37	-67.14
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C(F)C=C1Br	REAL300012024541	0	41	0.0	-71.70	350.94	6.75	-64.95
CO[C@@]1(C[NH2+]CC2=CC=CC(Br)=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024542	0	37	0.0	-67.18	327.90	7.75	-59.43
CO[C@@]1(C[NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024543	0	41	0.0	-73.32	346.63	6.65	-66.67
CO[C@@]1(C[NH2+]CC2=CC(F)=CC=C2OC(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024544	0	47	0.0	-66.44	369.00	7.67	-58.77
CCOC1=CC(F)=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024545	0	44	0.0	-72.67	354.54	7.05	-65.62
CO[C@@]1(C[NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024546	0	51	0.0	-80.35	392.59	7.75	-72.60
CO[C@@]1(C[NH2+]CC2=CC=C(OC(F)F)C=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024547	0	41	0.0	-69.56	341.62	6.36	-63.20
CO[C@@]1(C[NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024548	0	50	0.0	-69.90	374.88	7.83	-62.07
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C(F)C=C1C	REAL300012024549	0	44	0.0	-68.81	348.55	6.78	-62.03
CO[C@@]1(C[NH2+]CC2=CC=C(C)C(Br)=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024550	0	43	0.0	-69.83	346.09	8.43	-61.40
CO[C@@]1(C[NH2+]CC2=NC=CC(C)=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024551	0	39	0.0	-61.67	326.13	5.93	-55.74
CO[C@@]1(C[NH2+]CC2=CC=C(NC(=O)OC(C)(C)C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024552	0	54	0.0	-72.76	416.77	6.94	-65.82
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C2=CC(F)=CC=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024553	0	47	0.0	-75.04	389.47	8.10	-66.94
CO[C@@]1(C[NH2+]CC2=NC(C(C)(C)C)=CS2)C[C@@H](C(=O)[O-])C1	REAL300012024554	0	45	0.0	-66.93	360.30	6.43	-60.50
COCCC1=NC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)S1	REAL300012024555	0	43	0.0	-72.54	356.87	4.49	-68.05
CO[C@@]1(C[NH2+]CC2=CC(F)=CC(F)=C2O)C[C@@H](C(=O)[O-])C1	REAL300012024558	1	38	0.0	-75.25	318.70	4.09	-71.16
CO[C@@]1(C[NH2+]CC2=CC(F)=CC=C2OC2=CN=CC(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024559	0	47	0.0	-71.17	401.65	8.37	-62.80
CO[C@@]1(C[NH2+]CC2=C3CSCCC3=NN2C)C[C@@H](C(=O)[O-])C1	REAL300012024560	0	45	0.0	-77.99	361.18	6.43	-71.56
CCN1C=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300012024561	0	50	0.0	-70.94	395.46	8.77	-62.17
CO[C@@]1(C[NH2+]CC2=CC=CC3=C2CCOC3)C[C@@H](C(=O)[O-])C1	REAL300012024562	0	45	0.0	-69.74	341.78	6.67	-63.07
COCC1=C(C)C=C(C)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1C	REAL300012024563	0	53	0.0	-67.55	397.33	7.90	-59.65
CO[C@@]1(C[NH2+]CC2=CC=C3OC(=O)OC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024564	0	39	0.0	-85.28	324.25	7.30	-77.98
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OC2=CC=C(F)C(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024565	0	48	0.0	-69.07	405.20	10.12	-58.95
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OC2=CC(Cl)=CC=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024566	0	51	0.0	-63.86	419.51	10.83	-53.03
CO[C@@]1(C[NH2+]CC2=CC(F)=CC=C2OC2=CC=CC(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024567	0	48	0.0	-67.29	406.20	10.17	-57.12
CO[C@@]1(C[NH2+]CC2=CC(Br)=C(C)S2)C[C@@H](C(=O)[O-])C1	REAL300012024568	0	37	0.0	-69.30	327.64	7.22	-62.08
CO[C@@]1(C[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024569	0	47	0.0	-72.87	385.43	10.62	-62.25
CO[C@@]1(C[NH2+]CC2=CC=CC3=NC=CC=C23)C[C@@H](C(=O)[O-])C1	REAL300012024570	0	42	0.0	-76.51	332.54	7.00	-69.51
CO[C@@]1(C[NH2+]CC2=CC=CC(F)=C2I)C[C@@H](C(=O)[O-])C1	REAL300012024571	0	37	0.0	-68.04	322.13	7.73	-60.31
CCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1C	REAL300012024572	0	50	0.0	-70.99	388.39	8.52	-62.47
CO[C@@]1(C[NH2+]CC2=CC3=NC=CN=C3C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024573	0	41	0.0	-78.26	332.86	5.18	-73.08
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1COC1=CC=CC=C1	REAL300012024574	0	55	0.0	-71.12	432.69	9.42	-61.70
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1CN1C=CC=N1	REAL300012024575	0	51	0.0	-76.02	407.89	7.74	-68.28
CCOC1=CC=CC(F)=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024576	0	44	0.0	-59.97	351.14	7.06	-52.91
CO[C@@]1(C[NH2+]CC2=C(C)C=CC(Br)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024577	0	40	0.0	-70.87	339.41	7.90	-62.97
CO[C@@]1(C[NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024578	0	42	0.0	-80.53	335.66	8.01	-72.52
CO[C@@]1(C[NH2+]CC2=C(C)C=CC([N+](=O)[O-])=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024579	0	45	0.0	-80.68	353.78	8.38	-72.30
COC1=CC=C(CN2C=C(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)N=N2)C=C1	REAL300012024580	0	50	0.0	-76.53	404.08	6.40	-70.13
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(F)=C1OC	REAL300012024581	0	45	0.0	-73.71	363.02	6.05	-67.66
COC(=O)C1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300012024582	0	43	0.0	-74.90	357.15	7.45	-67.45
CO[C@@]1(C[NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024583	0	47	0.0	-73.68	383.47	7.20	-66.48
CO[C@@]1(C[NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024584	0	51	0.0	-71.73	406.74	10.01	-61.72
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OCC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024585	0	44	0.0	-67.35	359.42	7.37	-59.98
CO[C@@]1(C[NH2+]CC2=CC(F)=CC=C2OC2=CC(F)=CC(F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024586	0	48	0.0	-71.44	401.58	9.80	-61.64
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024587	0	55	0.0	-63.31	434.91	10.20	-53.11
CO[C@@]1(C[NH2+]CC2=CC(F)=CC=C2OC2=CC=C(Cl)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024588	0	48	0.0	-68.48	408.11	10.27	-58.21
CO[C@@]1(C[NH2+]CC2=C(C)N(C3=CC=CC=C3C)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024589	0	53	0.0	-72.17	412.84	9.80	-62.37
CO[C@@]1(C[NH2+]CC2=C(C)C=C(C#N)C=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024590	0	44	0.0	-76.41	349.81	8.18	-68.23
CO[C@@]1(C[NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024591	0	43	0.0	-70.75	378.10	8.05	-62.70
COC1=CC=C(C2=NC(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)=CS2)C=C1	REAL300012024592	0	47	0.0	-70.68	390.82	6.84	-63.84
CO[C@@]1(C[NH2+]CC2=CC3=C(C)NN=C3N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024594	0	42	0.0	-83.48	338.62	5.23	-78.25
CO[C@@]1(C[NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024595	0	45	0.0	-81.58	370.20	3.50	-78.08
CO[C@@]1(C[NH2+]CC2=NN(C)C3=CC=CC=C32)C[C@@H](C(=O)[O-])C1	REAL300012024596	0	43	0.0	-69.67	345.76	6.67	-63.00
CO[C@@]1(C[NH2+]CC2=C(Cl)N=C(Cl)N2C)C[C@@H](C(=O)[O-])C1	REAL300012024597	0	37	0.0	-73.70	328.41	6.00	-67.70
CO[C@@]1(C[NH2+]CC2=NC=CC3=CC=CC=C32)C[C@@H](C(=O)[O-])C1	REAL300012024598	0	42	0.0	-70.11	334.27	7.02	-63.09
CO[C@@]1(C[NH2+]CC2=C(C)N=C3C=CC=CN32)C[C@@H](C(=O)[O-])C1	REAL300012024599	0	43	0.0	-77.49	341.72	7.69	-69.80
CO[C@@]1(C[NH2+]CC(C)(C)CN(C)CC2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024600	1	57	0.0	-67.19	416.11	8.92	-58.27
CO[C@@]1(C[NH2+]CC2=CC=C(OCCN3C=CN=C3)C(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024601	0	51	0.0	-79.33	424.53	10.11	-69.22
CO[C@@]1(C[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C[C@@H](C(=O)[O-])C1	REAL300012024602	0	43	0.0	-77.39	352.08	4.98	-72.41
CO[C@@]1(C[NH2+]CC2=C(C)N=C3SC(C)=NN32)C[C@@H](C(=O)[O-])C1	REAL300012024603	0	42	0.0	-71.48	350.16	5.93	-65.55
CO[C@@]1(C[NH2+]CC2=C(C(C)C)N=C3SC(C)=NN32)C[C@@H](C(=O)[O-])C1	REAL300012024604	0	48	0.0	-72.32	392.75	7.23	-65.09
CCCC(C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300012024605	0	49	0.0	-69.53	373.46	9.47	-60.06
CO[C@@]1(C[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C[C@@H](C(=O)[O-])C1	REAL300012024606	0	42	0.0	-58.70	348.73	7.64	-51.06
CO[C@@]1(C[NH2+]CC2=CC=C(C(F)(F)F)S2)C[C@@H](C(=O)[O-])C1	REAL300012024607	0	37	0.0	-74.82	327.69	7.07	-67.75
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(OCC2=CC=CN=C2)=C1	REAL300012024608	0	54	0.0	-68.02	429.67	7.60	-60.42
CO[C@@]1(C[NH2+]CC2=NC3=CC=C(Br)C=C3S2)C[C@@H](C(=O)[O-])C1	REAL300012024609	0	39	0.0	-71.13	348.20	6.78	-64.35
CO[C@@]1(C[NH2+]CC2=CC=C(N(C)C)C=C2C(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024610	0	48	0.0	-65.31	374.11	8.04	-57.27
CO[C@@]1(C[NH2+]CC(C)=CC2=CC=CC=C2C(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024611	0	47	0.0	-70.89	377.82	9.35	-61.54
CO[C@@]1(C[NH2+]CC2=C(Cl)N(C3=CC=CC=N3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024612	0	46	0.0	-70.48	386.24	8.34	-62.14
CO[C@@]1(C[NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024613	0	56	0.0	-70.71	432.02	10.22	-60.49
CO[C@@]1(C[NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)C[C@@H](C(=O)[O-])C1	REAL300012024614	0	40	0.0	-75.01	355.42	8.06	-66.95
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=CC=C3Br)N=N2)C[C@@H](C(=O)[O-])C1	REAL300012024615	0	43	0.0	-74.03	369.54	7.34	-66.69
CO[C@@]1(C[NH2+]CC2=CN3C=CC(Br)=CC3=N2)C[C@@H](C(=O)[O-])C1	REAL300012024616	0	40	0.0	-70.83	343.34	7.84	-62.99
CO[C@@]1(C[NH2+]CC(C)=CC2=CC=CC=C2OC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024617	0	48	0.0	-72.50	382.42	8.09	-64.41
COCC1=CC=CC=C1C=C(C)C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024618	0	51	0.0	-72.85	394.83	8.40	-64.45
CO[C@@]1(C[NH2+]CC2=CC=CC=C2C2=CC=NN2C)C[C@@H](C(=O)[O-])C1	REAL300012024619	0	47	0.0	-69.28	368.66	7.57	-61.71
CO[C@@]1(C[NH2+]CC2=CON=C2CC2=CC=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024620	0	46	0.0	-79.23	369.09	8.39	-70.84
COC1=CC=C(N2C=C(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)C=N2)C=C1	REAL300012024621	0	48	0.0	-75.83	385.11	7.28	-68.55
CO[C@@]1(C[NH2+]CC2=CC=C(N(C)CC3=CC=CS3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024622	0	52	0.0	-68.06	417.72	10.15	-57.91
CO[C@@]1(C[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C[C@@H](C(=O)[O-])C1	REAL300012024623	0	39	0.0	-78.18	333.89	4.67	-73.51
CO[C@@]1(C[NH2+]CC2=CC=NC=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024624	0	36	0.0	-68.31	306.39	5.46	-62.85
CO[C@@]1(C[NH2+]CC2=CC=C(S(C)(=O)=O)S2)C[C@@H](C(=O)[O-])C1	REAL300012024625	0	40	0.0	-81.57	347.84	3.38	-78.19
CO[C@@]1(C[NH2+]CC2=C(C3=CC=CC=C3)N(C3CCCC3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024626	0	57	0.0	-66.38	439.72	10.67	-55.71
CO[C@@]1(C[NH2+]CC2=CC=NN2C2=CC=CC=N2)C[C@@H](C(=O)[O-])C1	REAL300012024627	0	43	0.0	-66.77	347.98	7.44	-59.33
CO[C@@]1(C[NH2+]CC2=CC=C(S(N)(=O)=O)C=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024628	0	42	0.0	-78.26	356.61	1.75	-76.51
CO[C@@]1(C[NH2+]CC2=CN=CC(Br)=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024629	0	39	0.0	-74.48	326.02	6.05	-68.43
CO[C@@]1(C[NH2+]CC2=C(C(F)(F)F)C=NN2C)C[C@@H](C(=O)[O-])C1	REAL300012024630	0	40	0.0	-74.25	332.16	5.29	-68.96
CO[C@@]1(C[NH2+]CC2=C(C3CCC3)C=NN2C)C[C@@H](C(=O)[O-])C1	REAL300012024631	0	47	0.0	-73.80	361.20	6.84	-66.96
CO[C@@]1(C[NH2+]CC2=CC3=C(C)C=CC=C3N2)C[C@@H](C(=O)[O-])C1	REAL300012024632	0	44	0.0	-74.34	347.56	7.29	-67.05
CO[C@@]1(C[NH2+]CC2=CC=NN2C2=CC=NC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024633	0	43	0.0	-74.09	346.38	5.87	-68.22
CO[C@@]1(C[NH2+]CC2=CC3=CC=C(C)C=C3N2)C[C@@H](C(=O)[O-])C1	REAL300012024634	0	44	0.0	-73.03	349.16	7.33	-65.70
CO[C@@]1(C[NH2+]CC2=CC=NN2C2CCOCC2)C[C@@H](C(=O)[O-])C1	REAL300012024635	0	48	0.0	-78.03	371.54	5.37	-72.66
CO[C@@]1(C[NH2+]CC2=C(OC3=CC=C(F)C=C3)N=C3C=CC=CN32)C[C@@H](C(=O)[O-])C1	REAL300012024636	0	51	0.0	-75.84	415.56	9.95	-65.89
CO[C@@]1(C[NH2+]CC2=CC3=C(C=CNC3=O)O2)C[C@@H](C(=O)[O-])C1	REAL300012024637	0	40	0.0	-80.70	329.03	4.24	-76.46
CO[C@@]1(C[NH2+]CC2=CC=C(C(F)F)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024638	0	39	0.0	-77.57	323.00	5.83	-71.74
CO[C@@]1(C[NH2+]CC2=CC(C#N)=CC=C2N(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024639	0	46	0.0	-71.65	367.29	7.18	-64.47
CO[C@@]1(C[NH2+]CC2=CN(CC3CCOC3)N=N2)C[C@@H](C(=O)[O-])C1	REAL300012024640	0	47	0.0	-79.73	368.90	4.09	-75.64
CO[C@@]1(C[NH2+]CC=CC2=C(C)C=C(C)C=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024641	0	50	0.0	-71.38	385.28	9.85	-61.53
CO[C@@]1(C[NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024642	0	57	0.0	-73.46	437.07	5.65	-67.81
CO[C@@]1(C[NH2+]CC(CC(F)F)NC(=O)OC(C)(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024643	0	53	0.0	-79.24	406.64	5.58	-73.66
CO[C@@]1(C[NH2+]CC2=CN(CC3CCCO3)N=N2)C[C@@H](C(=O)[O-])C1	REAL300012024644	0	47	0.0	-76.57	369.70	4.29	-72.28
CO[C@@]1(C[NH2+]CC2=CC(F)=CC=C2N(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024645	0	45	0.0	-65.55	352.66	6.79	-58.76
CO[C@@]1(C[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024646	0	42	0.0	-80.28	342.38	7.15	-73.13
CO[C@@]1(C[NH2+]CC=CC2=CC(C)=C(C)C=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024647	0	50	0.0	-69.83	382.74	9.78	-60.05
CO[C@@]1(C[NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024648	0	42	0.0	-81.13	348.70	1.65	-79.48
CO[C@@]1(C[NH2+]CC2=NC=CC3=C2CCCC3)C[C@@H](C(=O)[O-])C1	REAL300012024649	0	46	0.0	-65.08	346.67	7.24	-57.84
CO[C@@]1(C[NH2+]CC2=C(Cl)C(C)=NN2C)C[C@@H](C(=O)[O-])C1	REAL300012024650	0	40	0.0	-71.93	335.51	5.40	-66.53
CO[C@@]1(C[NH2+]CC2=CSC(C3=NN(C)C=C3)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024651	0	43	0.0	-74.67	366.43	5.23	-69.44
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C2CCCC2)C[C@@H](C(=O)[O-])C1	REAL300012024652	0	50	0.0	-71.99	383.54	7.67	-64.32
CO[C@@]1(C[NH2+]CC2=CC=CC(C)=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024653	0	40	0.0	-62.59	330.17	7.85	-54.74
CO[C@@]1(C[NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024654	0	48	0.0	-75.12	391.80	9.66	-65.46
CO[C@@]1(C[NH2+]CC2=CC=C3OCCCC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024655	0	45	0.0	-70.87	349.12	7.35	-63.52
CO[C@@]1(C[NH2+]CC2=CC=CC(C(=O)N(C)C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024656	0	47	0.0	-76.26	365.26	6.39	-69.87
CCC1=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(Cl)=NN1	REAL300012024657	0	40	0.0	-66.70	329.14	4.85	-61.85
CO[C@@]1(C[NH2+]CC2=C(C3CC3)NN=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024658	0	41	0.0	-70.08	341.73	5.67	-64.41
CO[C@@]1(C[NH2+]CC2=CC(C)=NC3=C2CCCC3)C[C@@H](C(=O)[O-])C1	REAL300012024659	0	49	0.0	-74.04	368.46	7.93	-66.11
CO[C@@]1(C[NH2+]CC2=CC=CC=C2N2CCCCC2)C[C@@H](C(=O)[O-])C1	REAL300012024660	0	52	0.0	-62.62	388.27	8.75	-53.87
CO[C@@]1(C[NH2+]CC2=CSC(C(F)(F)F)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024661	1	36	0.0	-74.98	322.47	4.87	-70.11
CO[C@@]1(C[NH2+]CC2=CC=C(C(F)F)C(F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024662	0	40	0.0	-77.16	335.63	7.71	-69.45
COC(=O)C1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1C	REAL300012024663	0	46	0.0	-78.73	366.29	7.93	-70.80
CO[C@@]1(C[NH2+]CC2=CC=C(Cl)C(C)=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024664	0	40	0.0	-69.98	341.96	8.22	-61.76
CO[C@@]1(C[NH2+]CC2=CC(C#N)=CC=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024665	0	38	0.0	-71.50	330.70	7.67	-63.83
CO[C@@]1(C[NH2+]CC2=CC=C3OC(C)CC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024666	0	45	0.0	-72.36	351.32	7.29	-65.07
CO[C@@]1(C[NH2+]CC2=CC=CC3=C2OC(=O)N3)C[C@@H](C(=O)[O-])C1	REAL300012024667	0	40	0.0	-78.66	328.24	4.25	-74.41
CO[C@@]1(C[NH2+]CC2=CC=C(CSC)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024668	0	44	0.0	-70.10	360.60	8.58	-61.52
CO[C@@]1(C[NH2+]CC2=CN(CC3CCC3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024669	0	47	0.0	-71.05	366.71	7.44	-63.61
CO[C@@]1(C[NH2+]CC2=C3COCCC3=NN2C)C[C@@H](C(=O)[O-])C1	REAL300012024670	0	45	0.0	-77.72	349.76	4.30	-73.42
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024671	0	50	0.0	-63.12	397.54	8.28	-54.84
COC(=O)COC1=CC=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024672	0	47	0.0	-64.31	378.99	7.65	-56.66
CO[C@@]1(C[NH2+]CC2=C3C(=CC=C2)N=CN3C)C[C@@H](C(=O)[O-])C1	REAL300012024673	0	43	0.0	-76.34	331.98	7.84	-68.50
CO[C@@]1(C[NH2+]CC2=CC=C(C(=O)N(C)C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024674	0	47	0.0	-83.14	367.51	6.59	-76.55
CCNC(=O)C1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024675	0	47	0.0	-78.59	373.63	5.86	-72.73
CO[C@@]1(C[NH2+]CC2=CC=CC=C2C(C)(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024676	0	49	0.0	-61.58	348.17	9.17	-52.41
CO[C@@]1(C[NH2+]CC2=CN=C3CCCCCN23)C[C@@H](C(=O)[O-])C1	REAL300012024677	0	47	0.0	-74.76	352.50	7.15	-67.61
COC1=CC=C2SC(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)=CC2=C1	REAL300012024678	0	44	0.0	-72.08	363.75	7.59	-64.49
CCN(CC)C(=O)C1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024679	0	53	0.0	-81.53	408.28	8.47	-73.06
CCN1CCC2=CC(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300012024680	0	49	0.0	-70.57	367.71	6.85	-63.72
CCN(C)C(=O)C1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024681	0	50	0.0	-82.63	389.50	7.62	-75.01
CO[C@@]1(C[NH2+]CC2=CC=C(SC)C(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024682	0	41	0.0	-75.75	350.48	8.18	-67.57
CO[C@@]1(C[NH2+]CC2=CC=C(C3CC3)C(C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024683	0	47	0.0	-68.88	363.46	9.37	-59.51
CO[C@@]1(C[NH2+]CC2=CC=C(C)C(C3CC3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024684	0	47	0.0	-68.70	361.87	9.38	-59.32
CO[C@@]1(C[NH2+]CC2=CC=C(N3C=CC(C)=N3)C=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024685	0	50	0.0	-76.68	392.47	9.08	-67.60
CO[C@@]1(C[NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024686	0	43	0.0	-75.90	366.45	8.59	-67.31
CO[C@@]1(C[NH2+]CC2=CC=C(N3C=C(Cl)C=N3)C=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024687	0	47	0.0	-75.96	387.68	9.00	-66.96
CCC1=CC(Br)=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)S1	REAL300012024688	0	40	0.0	-63.32	348.01	7.94	-55.38
CO[C@@]1(C[NH2+]CC2=CC=C(N3C=C(Cl)C(C)=N3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024689	0	47	0.0	-78.43	393.99	9.09	-69.34
COC(=O)C1=CC2=C(C=C(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)O2)N1	REAL300012024690	0	44	0.0	-79.68	364.40	5.54	-74.14
COCCOC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)O1	REAL300012024691	0	45	0.0	-73.28	366.05	5.51	-67.77
CO[C@@]1(C[NH2+]CC(C)(C)C2=CC=C(Br)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024692	0	46	0.0	-70.56	363.85	9.03	-61.53
CO[C@@]1(C[NH2+]CC2=C(C)N(C(C)C)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024693	0	49	0.0	-71.67	378.48	7.02	-64.65
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CC(Br)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024694	0	37	0.0	-73.97	333.03	7.83	-66.14
CO[C@@]1(C[NH2+]CC2=CC=CC=C2C2=CC=C(C)C=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024695	0	53	0.0	-63.67	406.02	11.21	-52.46
COC1=CC=CC(C2=CSC(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)=N2)=C1	REAL300012024696	0	47	0.0	-71.21	387.17	6.76	-64.45
CO[C@@]1(C[NH2+]CC2=CC=C(CNC(=O)OC(C)(C)C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024697	0	57	0.0	-74.56	442.38	7.15	-67.41
COC(=O)C1=C2COCCN2C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024698	0	49	0.0	-79.69	389.23	6.10	-73.59
CO[C@@]1(C[NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024699	0	54	0.0	-80.31	408.75	8.59	-71.72
CO[C@@]1(C[NH2+]CC2=CC=C(N3C=CN=C3)C=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024700	0	47	0.0	-76.63	367.58	9.74	-66.89
CO[C@@]1(C[NH2+]CC2=CC=C(C(F)(F)F)C(Cl)=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024701	0	40	0.0	-77.03	357.48	8.56	-68.47
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)C[C@@H](C(=O)[O-])C1	REAL300012024702	0	41	0.0	-67.21	350.69	5.60	-61.61
CO[C@@]1(C[NH2+]CC2=CN=C(C3CCOCC3)O2)C[C@@H](C(=O)[O-])C1	REAL300012024703	0	47	0.0	-74.57	366.98	3.16	-71.41
CO[C@@]1(C[NH2+]CC2=C(Cl)C=CC=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024704	0	37	0.0	-59.53	326.62	7.59	-51.94
CO[C@@]1(C[NH2+]CC2=CC=C(F)C(Br)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024705	0	37	0.0	-73.79	326.74	7.43	-66.36
CO[C@@]1(C[NH2+]CC2=C(C)OC(C(C)(C)C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024706	0	49	0.0	-67.99	377.16	8.25	-59.74
CO[C@@]1(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)C[C@@H](C(=O)[O-])C1	REAL300012024707	0	46	0.0	-77.77	374.97	7.11	-70.66
CO[C@@]1(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C(=O)[O-])C1	REAL300012024708	0	57	0.0	-75.85	418.95	7.74	-68.11
CO[C@@]1(C[NH2+]CC2=NC=C(Br)C=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024709	0	39	0.0	-67.62	328.42	6.08	-61.54
CO[C@@]1(C[NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024710	0	43	0.0	-79.39	368.59	4.62	-74.77
CO[C@@]1(C[NH2+]CC2=CC=C3OC(C)C(C)C3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024711	0	48	0.0	-71.53	372.66	7.93	-63.60
CO[C@@]1(C[NH2+]CC2=CC=C(C)C(OC(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024712	0	44	0.0	-69.17	354.80	7.08	-62.09
CO[C@@]1(C[NH2+]CC2=CC(Br)=C(C)N=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024713	0	39	0.0	-70.66	342.50	6.50	-64.16
CO[C@@]1(C[NH2+]CC2=CC=CC=C2CC(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024714	0	49	0.0	-65.45	364.20	9.09	-56.36
CO[C@@]1(C[NH2+]CC2=C(S(C)(=O)=O)N(C)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024715	1	43	0.0	-71.65	347.87	2.11	-69.54
CCOC1=CC(Br)=CC(F)=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024716	0	44	0.0	-62.50	372.52	7.67	-54.83
CO[C@@]1(C[NH2+]CC2=C(C)C(C(F)(F)F)=NN2)C[C@@H](C(=O)[O-])C1	REAL300012024717	0	40	0.0	-81.41	333.12	4.71	-76.70
CO[C@@]1(C[NH2+]CC2=CC(C(F)(F)F)=NN2)C[C@@H](C(=O)[O-])C1	REAL300012024718	0	37	0.0	-81.00	315.73	4.05	-76.95
CO[C@@]1(C[NH2+]CC2=C(S(C)(=O)=O)SC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024719	1	40	0.0	-68.58	335.06	3.61	-64.97
CO[C@@]1(C[NH2+]CC2=C(C)SC(C)=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024720	0	40	0.0	-62.76	343.45	7.64	-55.12
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C2=CC=CC(F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024721	0	47	0.0	-78.24	381.97	8.00	-70.24
CO[C@@]1(C[NH2+]CC2=CC=C(CC3CC3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024722	0	44	0.0	-67.55	360.68	8.99	-58.56
CO[C@@]1(C[NH2+]CC2=CC=C(OC3CC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024723	0	45	0.0	-71.87	355.36	7.70	-64.17
CO[C@@]1(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024724	0	41	0.0	-69.98	348.36	6.58	-63.40
CO[C@@]1(C[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024725	0	43	0.0	-73.34	367.73	8.63	-64.71
CO[C@@]1(C[NH2+]CC2=CC=C(N3C=CN=C3C)C=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024726	0	50	0.0	-77.54	391.32	9.85	-67.69
CO[C@@]1(C[NH2+]CC2=CC=C(N3C=NC(C)=C3C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024727	0	50	0.0	-80.12	394.15	10.37	-69.75
CNC(=O)C1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024728	0	44	0.0	-73.97	352.91	5.03	-68.94
CO[C@@]1(C[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024729	0	51	0.0	-68.82	390.22	10.78	-58.04
CCNC(=O)C1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024731	0	47	0.0	-73.40	372.95	5.83	-67.57
CO[C@@]1(C[NH2+]CC2=C(C)C3=CC(F)=CC=C3O2)C[C@@H](C(=O)[O-])C1	REAL300012024732	0	43	0.0	-74.09	349.64	7.95	-66.14
CO[C@@]1(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2C)C[C@@H](C(=O)[O-])C1	REAL300012024733	0	47	0.0	-78.54	375.11	7.83	-70.71
CO[C@@]1(C[NH2+]CC2=CN=CC(C(C)(C)C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024734	0	48	0.0	-72.12	366.38	7.21	-64.91
CO[C@@]1(C[NH2+]CC2=CC3=C(Br)C=CC=C3S2)C[C@@H](C(=O)[O-])C1	REAL300012024735	0	40	0.0	-69.51	353.63	8.86	-60.65
CO[C@@]1(C[NH2+]CC2=NN(CC(F)(F)F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024736	0	40	0.0	-72.62	339.09	5.84	-66.78
CO[C@@]1(C[NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)C[C@@H](C(=O)[O-])C1	REAL300012024737	0	47	0.0	-68.82	367.51	8.73	-60.09
CO[C@@]1(C[NH2+]CC2=NC3=C(CCCC3)N2C)C[C@@H](C(=O)[O-])C1	REAL300012024738	0	47	0.0	-69.41	358.53	7.42	-61.99
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=CC(Br)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024739	0	44	0.0	-69.23	366.62	7.64	-61.59
COC1=NC(Cl)=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024740	0	40	0.0	-70.91	339.42	3.95	-66.96
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024741	0	40	0.0	-73.98	331.82	5.50	-68.48
CO[C@@]1(C[NH2+]CC2=CC=CC(C(F)F)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024742	0	40	0.0	-69.59	334.45	7.69	-61.90
CO[C@@]1(C[NH2+]CC2=CC=CC3=C2COCC3)C[C@@H](C(=O)[O-])C1	REAL300012024743	0	45	0.0	-70.77	343.16	6.75	-64.02
CO[C@@]1(C[NH2+]CC2=CC=C(N3C=CC(C(F)(F)F)=N3)C=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024744	0	50	0.0	-78.70	411.90	9.49	-69.21
CCOC1=CC=C(Cl)C=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024745	0	44	0.0	-65.68	362.18	7.55	-58.13
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=C(Br)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024746	0	44	0.0	-73.11	371.90	7.18	-65.93
CO[C@@]1(C[NH2+]CC2=NC3=C(COCC3)S2)C[C@@H](C(=O)[O-])C1	REAL300012024747	0	41	0.0	-68.75	336.17	4.09	-64.66
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024748	0	44	0.0	-72.54	357.23	6.65	-65.89
CO[C@@]1(C[NH2+]CC2=C(Br)C=CC=C2OC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024749	0	41	0.0	-64.41	352.51	6.89	-57.52
CO[C@@]1(C[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C[C@@H](C(=O)[O-])C1	REAL300012024750	0	39	0.0	-83.82	330.52	7.47	-76.35
CO[C@@]1(C[NH2+]CC2=CN(C3CCCCC3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024751	0	50	0.0	-69.97	380.33	7.79	-62.18
CO[C@@]1(C[NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024752	0	44	0.0	-70.18	369.55	8.21	-61.97
CO[C@@]1(C[NH2+]CC2=C(F)C=C(Br)C=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024753	0	37	0.0	-65.65	326.96	7.38	-58.27
CO[C@@]1(C[NH2+]CC2=CC=C(N(C)CCO)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024754	0	48	0.0	-74.45	374.58	4.28	-70.17
COC1=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=CC=C1C(C)(C)C	REAL300012024755	0	53	0.0	-65.66	389.35	8.47	-57.19
CO[C@@]1(C[NH2+]CC2=NC(Br)=CN2C)C[C@@H](C(=O)[O-])C1	REAL300012024756	0	37	0.0	-76.07	315.86	5.54	-70.53
COC1=CC(C)=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1O	REAL300012024757	0	45	0.0	-72.16	350.02	4.46	-67.70
CO[C@@]1(C[NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C[C@@H](C(=O)[O-])C1	REAL300012024758	0	43	0.0	-76.72	353.53	5.88	-70.84
CO[C@@]1(C[NH2+]CC2=CC3=CC=CC=C3N(C)C2=O)C[C@@H](C(=O)[O-])C1	REAL300012024759	0	46	0.0	-72.24	361.82	7.49	-64.75
CO[C@@]1(C[NH2+]CC2=C(C)C=C(C)C(Br)=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024760	0	46	0.0	-70.28	364.16	8.84	-61.44
CO[C@@]1(C[NH2+]CC=CC2=CC=C3OCOC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024761	0	44	0.0	-77.27	353.52	6.71	-70.56
CO[C@@]1(C[NH2+]CC2=CC=C(CC3CCC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024762	0	50	0.0	-68.02	387.63	10.28	-57.74
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024763	0	47	0.0	-76.84	392.72	7.53	-69.31
CO[C@@]1(C[NH2+]CC2=C(F)C=CC(Cl)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024764	0	37	0.0	-64.91	322.65	7.30	-57.61
CO[C@@]1(C[NH2+]CC2=CC=CC(NC(=O)OC(C)(C)C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024765	0	54	0.0	-67.65	418.69	7.00	-60.65
CO[C@@]1(C[NH2+]CC2=CC=NN2C2CC2(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024766	0	41	0.0	-77.72	342.20	6.24	-71.48
CO[C@@]1(C[NH2+]CC2=C(C)OC=C2C(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024767	0	40	0.0	-65.55	334.37	6.50	-59.05
CO[C@@]1(C[NH2+]CC2=CC=CC(C(C)(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024768	0	43	0.0	-72.26	349.74	8.28	-63.98
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024769	0	43	0.0	-74.96	359.50	7.54	-67.42
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CN(C)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024770	0	44	0.0	-74.15	354.75	4.40	-69.75
CCCN1N=C(C)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1Cl	REAL300012024771	0	46	0.0	-68.85	377.94	7.02	-61.83
CO[C@@]1(C[NH2+]CC2=CN=C(C(C)(C)C#N)S2)C[C@@H](C(=O)[O-])C1	REAL300012024772	0	43	0.0	-78.66	361.51	6.16	-72.50
COC1=CC=C(Br)C(F)=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024773	0	41	0.0	-62.95	349.93	6.73	-56.22
CO[C@@]1(C[NH2+]CC2=C(F)C=C(C#N)C=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024774	0	38	0.0	-69.70	339.63	7.64	-62.06
CO[C@@]1(C[NH2+]CC2=CC(F)=CC(F)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024775	0	37	0.0	-71.72	315.02	6.93	-64.79
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024776	0	44	0.0	-70.29	360.55	9.14	-61.15
CO[C@@]1(C[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C[C@@H](C(=O)[O-])C1	REAL300012024777	0	43	0.0	-72.48	354.38	9.40	-63.08
CO[C@@]1(C[NH2+]CC2=CC=C(Cl)C(Br)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024778	0	37	0.0	-72.74	335.87	7.84	-64.90
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OC2CCCCC2)C[C@@H](C(=O)[O-])C1	REAL300012024779	0	54	0.0	-64.33	405.53	9.59	-54.74
CO[C@@]1(C[NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024780	0	48	0.0	-74.90	401.71	10.16	-64.74
CO[C@@]1(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C[C@@H](C(=O)[O-])C1	REAL300012024781	0	57	0.0	-69.79	426.00	10.26	-59.53
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OCC2=CC=C(Cl)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024782	0	51	0.0	-67.42	422.08	10.61	-56.81
COC1=CC=CC(OC2=CC=C(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)C=C2)=C1	REAL300012024783	0	52	0.0	-77.62	414.47	8.94	-68.68
CCN1CCCC2=CC(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300012024784	0	52	0.0	-68.42	384.72	7.76	-60.66
COCC1=CN=C(OC)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024785	0	47	0.0	-67.76	374.90	3.26	-64.50
CO[C@@]1(C[NH2+]CC2=C(Br)N(C)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024786	0	37	0.0	-68.62	319.25	4.97	-63.65
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024787	0	52	0.0	-78.09	414.14	9.53	-68.56
COC1=C(Br)C=CC(F)=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024788	0	41	0.0	-65.22	350.79	6.79	-58.43
CO[C@@]1(C[NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024789	0	50	0.0	-74.16	406.06	11.47	-62.69
CO[C@@]1(C[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024790	0	41	0.0	-73.14	351.37	8.17	-64.97
CO[C@@]1(C[NH2+]CC2=CC=CC(OCC3=CC=C(Cl)C=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024791	0	51	0.0	-70.56	423.01	10.51	-60.05
CO[C@@]1(C[NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)C[C@@H](C(=O)[O-])C1	REAL300012024792	0	50	0.0	-72.75	388.17	7.39	-65.36
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C=C2OC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024793	0	41	0.0	-74.03	355.71	7.01	-67.02
CO[C@@]1(C[NH2+]CC2=CC=C3CCOCC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024794	0	45	0.0	-71.47	348.97	6.80	-64.67
CO[C@@]1(C[NH2+]CC2=C(C)C3=CC=C(F)C=C3S2)C[C@@H](C(=O)[O-])C1	REAL300012024795	0	43	0.0	-71.18	356.98	8.89	-62.29
CO[C@@]1(C[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C[C@@H](C(=O)[O-])C1	REAL300012024796	0	43	0.0	-80.67	349.09	4.86	-75.81
COC1=CC=C(F)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1OC	REAL300012024797	0	45	0.0	-63.69	358.45	6.16	-57.53
COC1=CC(OC)=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C2=NC(Cl)=CC=C12	REAL300012024798	0	50	0.0	-58.50	408.11	6.42	-52.08
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=NN(C)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024799	0	44	0.0	-67.02	356.80	4.82	-62.20
CO[C@@]1(C[NH2+]CC2=C(F)C=CC(C)=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024800	0	40	0.0	-61.08	338.08	7.84	-53.24
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OCCC2CCCCC2)C[C@@H](C(=O)[O-])C1	REAL300012024801	0	60	0.0	-63.15	447.12	11.02	-52.13
CO[C@@]1(C[NH2+]CC2=CC=CC(OCC3CCC3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024802	0	51	0.0	-69.09	396.13	9.11	-59.98
CO[C@@]1(C[NH2+]CC2=CC=CC=C2C(C)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024803	0	43	0.0	-61.63	334.64	8.10	-53.53
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OCCO	REAL300012024804	0	49	0.0	-77.47	388.79	3.80	-73.67
CCN1C=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300012024805	0	47	0.0	-72.75	373.12	7.57	-65.18
COC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1OCCO	REAL300012024806	0	49	0.0	-78.46	388.39	3.79	-74.67
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C2=CC=NN2C)C[C@@H](C(=O)[O-])C1	REAL300012024807	0	47	0.0	-71.35	379.78	5.64	-65.71
CO[C@@]1(C[NH2+]CC2=CC3=CN=CC=C3C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024808	0	42	0.0	-76.45	335.48	7.17	-69.28
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC=C1OCC1CCCO1	REAL300012024809	0	56	0.0	-77.33	434.49	7.39	-69.94
CO[C@@]1(C[NH2+]CC2=C3OC(C)=CC3=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024810	0	43	0.0	-66.65	345.05	7.90	-58.75
CO[C@@]1(C[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024811	0	40	0.0	-72.83	330.54	7.86	-64.97
CO[C@@]1(C[NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024812	0	44	0.0	-64.57	371.72	7.54	-57.03
COC1=CSC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1OC	REAL300012024813	0	42	0.0	-68.61	348.64	4.78	-63.83
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CN=C(C(F)F)S3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024814	0	46	0.0	-75.56	391.80	8.43	-67.13
CO[C@@]1(C[NH2+]CC2=C(Br)C=CC3=C2OCO3)C[C@@H](C(=O)[O-])C1	REAL300012024815	0	40	0.0	-62.14	339.80	5.88	-56.26
CO[C@@]1(C[NH2+]CC2=C(S(C)(=O)=O)C=CS2)C[C@@H](C(=O)[O-])C1	REAL300012024816	0	40	0.0	-75.02	334.41	3.40	-71.62
CO[C@@]1(C[NH2+]CC2=CC(S(C)(=O)=O)=CO2)C[C@@H](C(=O)[O-])C1	REAL300012024817	0	40	0.0	-80.26	340.25	2.34	-77.92
CO[C@@]1(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024818	0	40	0.0	-74.27	340.03	7.82	-66.45
CO[C@@]1(C[NH2+]CC2=CC=C(OC(C)C)C(F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024819	0	47	0.0	-75.83	372.01	7.68	-68.15
CCN1C=C(Cl)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=N1	REAL300012024820	1	40	0.0	-64.70	337.79	5.83	-58.87
CO[C@@]1(C[NH2+]CC2=CC=C(F)C(Cl)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024821	0	37	0.0	-76.73	321.07	7.29	-69.44
CO[C@@]1(C[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024822	0	43	0.0	-68.87	345.48	8.96	-59.91
CO[C@@]1(C[NH2+]CC2=CC(S(C)(=O)=O)=CS2)C[C@@H](C(=O)[O-])C1	REAL300012024823	0	40	0.0	-77.84	347.47	3.32	-74.52
CO[C@@]1(C[NH2+]CC2=C(C)N(C3CCC3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024824	0	47	0.0	-71.06	362.06	7.19	-63.87
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024825	0	44	0.0	-78.39	372.35	8.48	-69.91
CO[C@@]1(C[NH2+]CC2=CC(C)=NN2C2CCCC2)C[C@@H](C(=O)[O-])C1	REAL300012024826	0	50	0.0	-74.31	385.07	7.79	-66.52
CO[C@@]1(C[NH2+]CC2=CC=NN2CC(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024827	0	40	0.0	-71.10	322.10	5.48	-65.62
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C=C2OC2CC2)C[C@@H](C(=O)[O-])C1	REAL300012024828	0	45	0.0	-67.33	376.03	8.38	-58.95
CO[C@@]1(C[NH2+]CC2=CC([N+](=O)[O-])=CC=C2N(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024829	0	47	0.0	-73.53	374.68	7.39	-66.14
CO[C@@]1(C[NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024830	0	40	0.0	-71.86	336.32	8.19	-63.67
CO[C@@]1(C[NH2+]CC2=C(F)C=CC(Br)=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024831	0	37	0.0	-64.59	334.20	7.73	-56.86
CO[C@@]1(C[NH2+]CC2=C(F)C=CN=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024832	0	36	0.0	-64.90	309.51	5.32	-59.58
CO[C@@]1(C[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024833	0	44	0.0	-79.68	362.02	8.04	-71.64
CO[C@@]1(C[NH2+]CC2=C(F)C=NC=C2N(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024834	0	44	0.0	-62.99	348.82	4.81	-58.18
COC1=NC(C)=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(C)=C1Cl	REAL300012024835	0	46	0.0	-75.85	371.21	4.98	-70.87
CO[C@@]1(C[NH2+]CC2=NN(C3=CC=CC=C3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024836	0	46	0.0	-73.15	372.58	7.12	-66.03
CO[C@@]1(C[NH2+]CC2=NN(CC(F)F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024837	0	40	0.0	-71.09	334.21	5.63	-65.46
CO[C@@]1(C[NH2+]CC2=NN(C3CC3(F)F)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024838	0	41	0.0	-71.44	342.35	6.20	-65.24
CO[C@@]1(C[NH2+]CC2=CN(C3CCCCC3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024839	0	53	0.0	-70.57	400.87	8.33	-62.24
CO[C@@]1(C[NH2+]CC2=CN(C3CCOCC3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024840	0	48	0.0	-71.25	371.32	5.38	-65.87
CO[C@@]1(C[NH2+]CC2=CN(C3CCOCC3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024841	0	51	0.0	-71.48	391.63	5.92	-65.56
CO[C@@]1(C[NH2+]CC2=CC(Br)=CC3=CC=CN=C32)C[C@@H](C(=O)[O-])C1	REAL300012024842	0	42	0.0	-64.32	356.06	7.84	-56.48
CO[C@@]1(C[NH2+]CC2=NN(C3CCCC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024843	0	47	0.0	-67.08	362.48	7.11	-59.97
CO[C@@]1(C[NH2+]CC2=CC(S(N)(=O)=O)=CS2)C[C@@H](C(=O)[O-])C1	REAL300012024844	0	39	0.0	-78.89	342.19	0.76	-78.13
CO[C@@]1(C[NH2+]CC2=NC=C(Cl)C=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024845	0	36	0.0	-64.28	322.65	5.85	-58.43
CO[C@@]1(C[NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024846	0	52	0.0	-82.65	399.75	6.19	-76.46
CO[C@@]1(C[NH2+]CC2=CN(C3CCCC3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024847	0	50	0.0	-70.82	382.95	7.74	-63.08
CO[C@@]1(C[NH2+]CC2=CC(C)=CC(Br)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024848	0	40	0.0	-72.29	341.28	8.01	-64.28
CO[C@@]1(C[NH2+]CC2=CC=C(Br)C(Cl)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024849	0	37	0.0	-75.70	334.60	7.81	-67.89
COC1=CC=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1Br	REAL300012024850	0	41	0.0	-65.19	339.39	6.59	-58.60
CO[C@@]1(C[NH2+]CC2=CC=C(Cl)C(F)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024851	0	37	0.0	-73.95	322.00	7.32	-66.63
CO[C@@]1(C[NH2+]CC2=CC=CC(C3=CN(C)N=C3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024852	0	47	0.0	-72.62	375.10	8.00	-64.62
COC1=CC(F)=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300012024853	0	41	0.0	-69.44	350.33	6.74	-62.70
CO[C@@]1(C[NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024854	0	47	0.0	-90.38	381.76	9.11	-81.27
CO[C@@]1(C[NH2+]CC2=CC(Br)=CC=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024855	0	40	0.0	-69.68	331.89	7.97	-61.71
COC1=C(C#N)C=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024856	0	42	0.0	-75.83	344.24	6.50	-69.33
COC1=NC2=CC=C(C[NH2+]C[C@]3(OC)C[C@@H](C(=O)[O-])C3)C=C2S1	REAL300012024857	0	43	0.0	-78.27	359.67	4.53	-73.74
CO[C@@]1(C[NH2+]CC2=CC=NC(Br)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024858	0	36	0.0	-78.74	312.76	5.48	-73.26
CO[C@@]1(C[NH2+]CC2=CC(F)=CC(Cl)=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024859	0	37	0.0	-71.02	329.30	7.68	-63.34
CO[C@@]1(C[NH2+]CC2=CC=CC(OCC(C)(C)C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024860	0	53	0.0	-68.79	408.33	9.09	-59.70
CO[C@@]1(C[NH2+]CC2=CC(Br)=CC(Cl)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024861	0	37	0.0	-72.84	339.46	7.89	-64.95
COC1=CC(Cl)=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024862	0	41	0.0	-72.81	340.96	6.51	-66.30
CO[C@@]1(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024863	0	40	0.0	-75.48	346.10	8.04	-67.44
COC1=CC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=CC(F)=C1F	REAL300012024864	0	41	0.0	-83.74	338.44	6.18	-77.56
CO[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=NN2C)C[C@@H](C(=O)[O-])C1	REAL300012024865	0	44	0.0	-77.02	345.12	4.00	-73.02
COC(=O)C1=C(C)NC(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1C	REAL300012024866	0	47	0.0	-79.09	379.58	6.42	-72.67
CO[C@@]1(C[NH2+]CC2=C(C)C=C(Br)C=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024867	0	43	0.0	-70.51	351.26	8.43	-62.08
CO[C@@]1(C[NH2+]CC2=C(O)C=CC(F)=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024868	0	38	0.0	-67.31	330.29	4.49	-62.82
CO[C@@]1(C[NH2+]CC2=C(Cl)C=CC3=C2OCO3)C[C@@H](C(=O)[O-])C1	REAL300012024869	0	40	0.0	-63.59	334.82	5.77	-57.82
CO[C@@]1(C[NH2+]CC2=CC=C(C3CCCCC3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024870	0	53	0.0	-68.35	396.61	10.50	-57.85
COC1=CC=CC=C1C=CC[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024871	0	45	0.0	-69.87	354.41	7.37	-62.50
CO[C@@]1(C[NH2+]CC2=C(C)C=C(Br)S2)C[C@@H](C(=O)[O-])C1	REAL300012024872	0	37	0.0	-70.38	327.09	7.13	-63.25
CO[C@@]1(C[NH2+]CC2=CN(C3CCC3)N=C2C)C[C@@H](C(=O)[O-])C1	REAL300012024873	0	47	0.0	-71.42	362.76	7.09	-64.33
CO[C@@]1(C[NH2+]CC2=C(C)N(CC(F)F)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024874	0	43	0.0	-76.57	351.32	6.16	-70.41
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C[C@@H](C(=O)[O-])C1	REAL300012024875	0	45	0.0	-76.88	365.96	7.10	-69.78
CCCN1N=C(C)C(Cl)=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024876	0	46	0.0	-70.19	377.33	6.99	-63.20
CO[C@@]1(C[NH2+]CC2=NC3=CC(Cl)=CC=C3N2C(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024877	0	49	0.0	-76.31	393.82	8.82	-67.49
CO[C@@]1(C[NH2+]CC2=CC(C3=CC=CO3)=NN2C)C[C@@H](C(=O)[O-])C1	REAL300012024878	0	44	0.0	-79.18	358.78	6.04	-73.14
CO[C@@]1(C[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024879	0	50	0.0	-69.74	399.28	11.22	-58.52
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024880	0	37	0.0	-67.72	342.61	8.19	-59.53
CCCCC(=O)NC1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024881	0	53	0.0	-73.30	414.35	7.95	-65.35
CCN(C)C1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300012024882	0	51	0.0	-66.40	384.94	8.73	-57.67
CO[C@@]1(C[NH2+]CC2=CC(Cl)=CN=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024883	0	36	0.0	-69.81	322.99	5.92	-63.89
CO[C@@]1(C[NH2+]CC2=C(Cl)C(Cl)=CS2)C[C@@H](C(=O)[O-])C1	REAL300012024884	0	34	0.0	-66.55	318.28	6.79	-59.76
CO[C@@]1(C[NH2+]CC2=CN(C(C)(C)C)N=C2C(C)(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024885	0	58	0.0	-71.07	429.34	8.85	-62.22
COC1=CC(C)=CC(OC)=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024886	0	48	0.0	-58.69	372.71	6.09	-52.60
CO[C@@]1(C[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024887	0	41	0.0	-76.53	357.43	7.05	-69.48
CO[C@@]1(C[NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024888	0	47	0.0	-76.27	385.06	9.62	-66.65
CO[C@@]1(C[NH2+]CC2=CC=C3SC=CC3=C2)C[C@@H](C(=O)[O-])C1	REAL300012024889	0	40	0.0	-73.48	331.40	8.06	-65.42
CO[C@@]1(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024890	0	46	0.0	-74.85	364.97	8.37	-66.48
CO[C@@]1(C[NH2+]CC2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024891	0	59	0.0	-71.19	453.90	11.62	-59.57
CO[C@@]1(C[NH2+]CC2=CC=CC(C)=C2C(F)(F)F)C[C@@H](C(=O)[O-])C1	REAL300012024892	0	43	0.0	-65.47	338.26	8.26	-57.21
CO[C@@]1(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2Br)C[C@@H](C(=O)[O-])C1	REAL300012024893	0	40	0.0	-69.33	350.53	8.34	-60.99
CCC(C)C1=CC=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=C1	REAL300012024894	0	49	0.0	-68.15	373.91	9.31	-58.84
CO[C@@]1(C[NH2+]CC2=CC3=NC=C(Br)C=C3O2)C[C@@H](C(=O)[O-])C1	REAL300012024895	0	39	0.0	-77.49	338.65	6.01	-71.48
CO[C@@]1(C[NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)C[C@@H](C(=O)[O-])C1	REAL300012024896	0	42	0.0	-72.86	361.20	7.09	-65.77
CO[C@@]1(C[NH2+]CC2=CC3=C(CCOC3)N=C2Cl)C[C@@H](C(=O)[O-])C1	REAL300012024897	0	44	0.0	-73.27	355.42	5.33	-67.94
CO[C@@]1(C[NH2+]CC2=CC3=CC(Br)=CC=C3S2)C[C@@H](C(=O)[O-])C1	REAL300012024898	0	40	0.0	-71.74	355.07	8.91	-62.83
CO[C@@]1(C[NH2+]CC2=NC=C(CC3=CC=CC=C3)N2C)C[C@@H](C(=O)[O-])C1	REAL300012024899	0	50	0.0	-73.05	393.53	9.22	-63.83
CO[C@@]1(C[NH2+]CC2=CC=CC(C(C)(F)F)=N2)C[C@@H](C(=O)[O-])C1	REAL300012024900	0	42	0.0	-72.33	344.63	6.67	-65.66
CO[C@@]1(C[NH2+]CC2=CC(Br)=CC(F)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024901	0	37	0.0	-71.65	328.61	7.46	-64.19
CO[C@@]1(C[NH2+]CC2=CC(Cl)=C(Br)C=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024902	0	37	0.0	-72.23	335.14	7.81	-64.42
CO[C@@]1(C[NH2+]CC2=CC=CC3=C2CCCC3)C[C@@H](C(=O)[O-])C1	REAL300012024903	0	47	0.0	-68.42	350.64	9.07	-59.35
CO[C@@]1(C[NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)C[C@@H](C(=O)[O-])C1	REAL300012024904	0	39	0.0	-84.13	344.75	8.00	-76.13
CO[C@@]1(C[NH2+]CC(C)=CC2=CC(F)=CC(F)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024905	0	44	0.0	-73.48	357.62	8.71	-64.77
COC1=C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)C=CC(Br)=C1F	REAL300012024906	0	41	0.0	-74.93	349.25	6.98	-67.95
CO[C@@]1(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024907	0	40	0.0	-71.62	339.15	7.76	-63.86
CO[C@@]1(C[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024908	0	43	0.0	-83.99	347.43	6.63	-77.36
CO[C@@]1(C[NH2+]CC2=C(C)C3=CC=CC=C3C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024909	0	46	0.0	-69.80	352.77	9.49	-60.31
CO[C@@]1(C[NH2+]CC2=CN(C(C)(C)C)N=C2C(C)C)C[C@@H](C(=O)[O-])C1	REAL300012024910	0	55	0.0	-71.66	421.59	8.41	-63.25
CO[C@@]1(C[NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024911	0	43	0.0	-74.61	361.62	9.58	-65.03
COC1=C2C=CNC2=CC=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024912	0	45	0.0	-67.31	355.64	6.10	-61.21
CO[C@@]1(C[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C[C@@H](C(=O)[O-])C1	REAL300012024913	0	50	0.0	-71.65	384.96	3.86	-67.79
COC1=CC=C(OC)C(OC)=C1C[NH2+]C[C@]1(OC)C[C@@H](C(=O)[O-])C1	REAL300012024914	0	49	0.0	-62.33	380.54	5.44	-56.89
CO[C@@]1(C[NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)C[C@@H](C(=O)[O-])C1	REAL300012024915	0	54	0.0	-60.06	401.90	8.52	-51.54
CO[C@@]1(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)C[C@@H](C(=O)[O-])C1	REAL300012024916	0	51	0.0	-68.23	410.39	10.27	-57.96
CO[C@@]1(C[NH2+]CC2=C(C)C=CC3=CC=CN=C32)C[C@@H](C(=O)[O-])C1	REAL300012024917	0	45	0.0	-62.37	351.89	7.83	-54.54
CO[C@@]1(C[NH2+]CC2=CN=C(N3C=CC=N3)C(C)=C2)C[C@@H](C(=O)[O-])C1	REAL300012024918	0	46	0.0	-79.92	367.13	8.05	-71.87
COC(=O)C1=CN(C)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1	REAL300012024919	0	44	0.0	-77.02	356.41	6.81	-70.21
COC1=CC=C(Br)C(C[NH2+]C[C@]2(OC)C[C@@H](C(=O)[O-])C2)=C1O	REAL300012024920	0	42	0.0	-64.31	352.44	4.40	-59.91
CO[C@@]1(C[NH2+]CC2=CN(C)N=C2C2CCC2)C[C@@H](C(=O)[O-])C1	REAL300012024921	0	47	0.0	-72.92	366.79	7.14	-65.78
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012024922	0	43	0.0	-44.89	346.27	8.28	-36.61
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C2=CC=C(F)C=C2)N=C1C	REAL300012024923	0	48	0.0	-37.50	404.51	9.97	-27.53
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(C)(C)C)C=C1	REAL300012024924	0	50	0.0	-55.18	384.85	10.24	-44.94
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012024925	0	45	0.0	-56.76	358.21	7.73	-49.03
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)O1	REAL300012024926	0	35	0.0	-45.41	307.31	6.77	-38.64
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C	REAL300012024927	0	48	0.0	-42.87	380.43	9.63	-33.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CCC#N)N=C1C1=CC=CC=C1	REAL300012024928	0	52	0.0	-61.25	423.38	10.38	-50.87
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C(OC)=C1	REAL300012024929	0	46	0.0	-62.58	377.15	7.40	-55.18
CCOC1=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC=C1OC	REAL300012024930	0	49	0.0	-60.85	389.25	8.04	-52.81
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012024931	0	52	0.0	-53.96	418.60	11.28	-42.68
CCCCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012024932	0	54	0.0	-57.55	424.50	10.51	-47.04
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012024933	0	47	0.0	-55.69	393.26	10.48	-45.21
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012024934	0	47	0.0	-50.89	393.29	10.47	-40.42
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(Br)=C1	REAL300012024935	0	42	0.0	-59.82	358.57	7.88	-51.94
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC(C)C	REAL300012024936	0	48	0.0	-52.69	377.40	8.88	-43.81
CCCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1OC	REAL300012024937	0	55	0.0	-43.68	428.46	9.61	-34.07
CCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1OC	REAL300012024938	0	52	0.0	-60.63	410.75	8.84	-51.79
C=CCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1OC	REAL300012024939	0	50	0.0	-61.16	402.15	8.62	-52.54
CCCCCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1OC	REAL300012024940	0	61	0.0	-43.63	471.45	11.17	-32.46
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012024941	0	45	0.0	-45.72	381.83	10.32	-35.40
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012024942	0	45	0.0	-46.53	381.92	10.37	-36.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012024943	0	45	0.0	-44.66	389.72	11.22	-33.44
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012024944	0	48	0.0	-60.69	393.28	9.60	-51.09
CCC1=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C2=CC=CC=C2O1	REAL300012024945	0	47	0.0	-55.29	373.75	9.88	-45.41
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012024946	0	47	0.0	-53.90	389.17	11.10	-42.80
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012024947	0	44	0.0	-45.95	376.06	8.78	-37.17
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012024948	0	42	0.0	-55.80	353.37	7.78	-48.02
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012024949	0	42	0.0	-59.68	365.05	9.39	-50.29
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(O)C=C1[N+](=O)[O-]	REAL300012024950	0	45	0.0	-62.32	367.51	5.57	-56.75
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C=C1Cl	REAL300012024951	0	42	0.0	-55.65	350.82	7.66	-47.99
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012024952	0	42	0.0	-59.91	354.64	7.72	-52.19
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012024953	0	47	0.0	-49.88	401.17	11.37	-38.51
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012024954	0	47	0.0	-58.90	401.44	11.27	-47.63
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012024955	0	45	0.0	-58.72	363.51	7.84	-50.88
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(C)C=C1	REAL300012024956	0	48	0.0	-56.65	378.50	8.44	-48.21
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012024957	0	42	0.0	-55.74	352.23	7.04	-48.70
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(OC)C=C1	REAL300012024958	0	49	0.0	-58.82	386.55	7.07	-51.75
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC2=CC=CC=C12	REAL300012024959	0	41	0.0	-39.93	339.45	9.22	-30.71
CCOC1=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C(C)=NN1CC(C)C	REAL300012024960	0	57	0.0	-36.66	430.79	8.02	-28.64
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012024961	0	44	0.0	-58.80	354.69	8.43	-50.37
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(C)C=C2)O1	REAL300012024962	0	48	0.0	-45.63	386.51	10.47	-35.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(C)O1	REAL300012024963	0	45	0.0	-44.31	365.59	6.94	-37.37
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012024964	0	44	0.0	-55.24	353.07	5.94	-49.30
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012024965	0	51	0.0	-60.83	401.54	6.94	-53.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012024966	0	53	0.0	-43.43	413.13	8.53	-34.90
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)S1	REAL300012024967	0	35	0.0	-43.61	312.12	7.63	-35.98
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012024968	0	45	0.0	-45.15	379.40	10.77	-34.38
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012024969	0	43	0.0	-34.55	344.71	8.44	-26.11
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012024970	0	51	0.0	-40.26	406.90	9.45	-30.81
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2N=C1OC	REAL300012024971	0	47	0.0	-46.01	375.76	6.93	-39.08
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012024972	0	45	0.0	-44.61	363.16	9.13	-35.48
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012024973	0	44	0.0	-46.36	358.10	10.44	-35.92
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N=C2C(=C1)C=NN2C(C)C	REAL300012024974	0	49	0.0	-58.15	407.51	9.04	-49.11
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012024975	0	45	0.0	-42.51	389.60	11.21	-31.30
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012024976	0	45	0.0	-43.10	382.06	10.86	-32.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1F	REAL300012024977	0	38	0.0	-38.47	317.13	8.01	-30.46
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012024978	0	41	0.0	-39.95	355.75	9.41	-30.54
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012024979	0	38	0.0	-56.75	327.74	8.44	-48.31
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012024980	0	38	0.0	-62.00	331.24	8.48	-53.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012024981	0	41	0.0	-64.41	352.97	8.97	-55.44
CCOC1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012024982	0	45	0.0	-39.57	356.22	8.13	-31.44
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012024983	0	38	0.0	-35.48	331.88	8.77	-26.71
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012024984	0	41	0.0	-32.27	334.39	8.76	-23.51
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012024985	0	38	0.0	-67.14	327.65	8.11	-59.03
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012024986	0	41	0.0	-62.68	354.51	9.01	-53.67
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012024987	0	41	0.0	-42.94	348.40	8.98	-33.96
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OC)=C1Cl	REAL300012024988	0	46	0.0	-35.74	376.48	7.59	-28.15
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012024989	0	41	0.0	-55.73	346.03	9.47	-46.26
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012024990	0	38	0.0	-62.07	331.24	8.49	-53.58
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012024991	0	42	0.0	-56.79	363.35	8.06	-48.73
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012024992	0	45	0.0	-45.85	389.43	11.20	-34.65
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC(C#N)=C2)=C1	REAL300012024993	0	53	0.0	-44.74	436.94	11.58	-33.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012024994	0	48	0.0	-62.04	383.99	6.43	-55.61
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CN=C1Cl	REAL300012024995	0	37	0.0	-46.15	311.69	6.56	-39.59
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC(F)(F)F)C(OC)=C1	REAL300012024996	0	49	0.0	-64.27	408.82	8.50	-55.77
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012024997	0	51	0.0	-62.00	414.79	9.43	-52.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C(C)C	REAL300012024998	0	47	0.0	-40.12	367.69	7.48	-32.64
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012024999	0	48	0.0	-45.73	404.38	10.07	-35.66
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C)N=C1C(C)C	REAL300012025000	0	47	0.0	-36.12	384.90	7.86	-28.26
COCCOC1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025001	0	49	0.0	-41.06	389.84	7.41	-33.65
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(Cl)=C1	REAL300012025002	0	42	0.0	-59.98	354.18	7.77	-52.21
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012025003	0	43	0.0	-51.90	365.12	6.83	-45.07
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC2=CC=CC=C2N1C(C)C	REAL300012025004	0	50	0.0	-48.49	385.43	9.45	-39.04
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)N=C1	REAL300012025005	0	54	0.0	-53.12	422.66	7.88	-45.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012025006	0	45	0.0	-60.14	379.58	8.61	-51.53
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012025007	0	44	0.0	-37.21	347.78	7.13	-30.08
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012025008	0	47	0.0	-38.10	362.35	7.84	-30.26
CCCN1C2=CC=CC=C2N=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025009	0	50	0.0	-48.61	393.84	9.86	-38.75
CCCOC1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025010	0	48	0.0	-39.36	377.71	8.94	-30.42
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012025011	0	45	0.0	-56.20	374.69	10.50	-45.70
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012025012	0	52	0.0	-41.69	398.92	10.12	-31.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC(C)C)=C1	REAL300012025013	0	48	0.0	-38.82	375.60	8.88	-29.94
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC2=CC=CC=C2O1	REAL300012025014	0	51	0.0	-36.03	405.52	9.82	-26.21
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=C(C)C=C2)=N1	REAL300012025015	0	47	0.0	-45.66	391.06	9.38	-36.28
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C(C)C)=N1	REAL300012025016	0	43	0.0	-43.80	352.58	6.96	-36.84
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012025017	0	52	0.0	-41.96	419.84	11.36	-30.60
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012025018	1	48	0.0	-47.93	401.24	8.23	-39.70
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(COC2=CC=C(C)C=C2)=N1	REAL300012025019	1	51	0.0	-47.86	422.65	8.91	-38.95
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C(C)(C)C)=N1	REAL300012025020	0	46	0.0	-43.52	371.52	7.47	-36.05
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012025021	0	41	0.0	-54.42	364.91	7.66	-46.76
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012025022	0	45	0.0	-46.93	379.12	10.76	-36.17
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC(=O)N(C)C	REAL300012025023	0	52	0.0	-60.70	415.82	8.79	-51.91
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012025024	0	52	0.0	-52.68	401.84	10.19	-42.49
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(C)C=C2)S1	REAL300012025025	0	48	0.0	-44.27	394.39	11.37	-32.90
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012025026	0	44	0.0	-48.74	371.31	8.21	-40.53
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC(Cl)=C1OC	REAL300012025027	0	42	0.0	-55.70	371.06	8.35	-47.35
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012025028	0	38	0.0	-35.49	336.46	8.88	-26.61
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012025029	0	38	0.0	-34.55	333.99	8.82	-25.73
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012025030	0	49	0.0	-59.66	411.38	10.96	-48.70
CCOC1=C(OC)C=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1OC	REAL300012025031	0	53	0.0	-63.57	422.41	7.98	-55.59
COCCCOC1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025032	0	52	0.0	-41.01	411.39	8.01	-33.00
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(Cl)C(C)=C1	REAL300012025033	0	40	0.0	-43.34	335.31	7.15	-36.19
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=CC=C1OC(F)F	REAL300012025034	0	46	0.0	-41.34	372.58	6.82	-34.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012025035	0	42	0.0	-38.50	356.79	7.96	-30.54
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012025036	0	58	0.0	-40.99	459.11	12.74	-28.25
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CN=C2)C(C)=C1	REAL300012025037	0	51	0.0	-60.77	413.10	9.72	-51.05
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012025038	0	56	0.0	-60.25	450.42	9.20	-51.05
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=C(C)C=C2)S1	REAL300012025039	0	47	0.0	-57.65	395.07	9.62	-48.03
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012025040	0	43	0.0	-53.38	365.25	8.95	-44.43
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012025041	0	43	0.0	-36.00	350.27	8.49	-27.51
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012025042	0	43	0.0	-54.19	354.97	8.51	-45.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012025043	0	43	0.0	-35.48	359.11	8.87	-26.61
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012025044	0	45	0.0	-47.48	379.59	9.96	-37.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(F)C=C2C)O1	REAL300012025045	0	48	0.0	-45.46	391.96	10.56	-34.90
CCC1=CC=C(C2=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])O2)C=C1	REAL300012025046	0	51	0.0	-45.48	407.99	11.24	-34.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C=C1OC(F)F	REAL300012025047	0	46	0.0	-40.23	372.21	6.84	-33.39
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(OC)=CC=C2O1	REAL300012025048	0	45	0.0	-46.52	362.21	7.72	-38.80
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012025049	0	42	0.0	-42.70	352.63	9.73	-32.97
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)OC2=CC=CC=C21	REAL300012025050	0	44	0.0	-43.88	351.66	8.99	-34.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=COC2=CC=CC=C12	REAL300012025051	0	41	0.0	-58.54	336.57	8.30	-50.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012025052	0	46	0.0	-58.65	375.95	9.72	-48.93
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C(Br)=C1	REAL300012025053	0	41	0.0	-58.20	348.14	9.11	-49.09
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012025054	0	42	0.0	-42.00	347.77	9.32	-32.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(C)=C1	REAL300012025055	0	41	0.0	-58.78	348.14	9.11	-49.67
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012025056	0	45	0.0	-47.61	363.75	9.03	-38.58
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)SC=C1	REAL300012025057	0	35	0.0	-50.71	312.76	7.47	-43.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012025058	0	43	0.0	-37.99	357.36	8.23	-29.76
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012025059	0	42	0.0	-60.76	347.04	7.94	-52.82
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012025060	0	42	0.0	-44.77	343.15	7.92	-36.85
CCOC1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=N1	REAL300012025061	0	44	0.0	-45.81	353.83	5.51	-40.30
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CN=C2C(C)=C1	REAL300012025062	0	46	0.0	-44.03	366.10	9.10	-34.93
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(C)=C1	REAL300012025063	0	41	0.0	-58.77	344.11	9.02	-49.75
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012025064	0	40	0.0	-44.37	336.67	7.40	-36.97
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1	REAL300012025065	0	57	0.0	-45.21	441.22	12.12	-33.09
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025066	0	58	0.0	-53.53	443.78	10.70	-42.83
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025067	0	58	0.0	-53.25	449.70	11.05	-42.20
CCCC1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025068	0	47	0.0	-55.20	373.03	10.13	-45.07
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025069	0	56	0.0	-58.79	441.88	12.65	-46.14
CCN(CC)C1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1F	REAL300012025070	0	52	0.0	-46.62	404.13	8.97	-37.65
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OC)C=C1SC	REAL300012025071	0	50	0.0	-37.38	395.74	7.94	-29.44
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC2=CC=C(OC)C=C2S1	REAL300012025072	0	44	0.0	-41.62	366.80	6.73	-34.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC2=CC=C(Cl)C=C2N1C	REAL300012025073	0	44	0.0	-49.65	367.22	8.71	-40.94
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(C#N)=C1	REAL300012025074	0	43	0.0	-67.30	358.34	7.64	-59.66
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012025075	0	42	0.0	-44.54	354.62	9.19	-35.35
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=C(Cl)C=C1C	REAL300012025076	0	44	0.0	-55.68	358.71	9.48	-46.20
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012025077	0	42	0.0	-62.83	354.13	7.57	-55.26
CCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])N=C1	REAL300012025078	0	44	0.0	-45.43	351.26	6.27	-39.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)C=C1C	REAL300012025079	0	44	0.0	-59.50	362.86	9.58	-49.92
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C(OC)C(OC)=C1	REAL300012025080	0	46	0.0	-63.52	387.75	7.77	-55.75
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OCC(C)C)=C1	REAL300012025081	0	55	0.0	-60.31	430.85	9.52	-50.79
CCCOC1=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC=C1OC	REAL300012025082	0	52	0.0	-60.58	410.75	8.84	-51.74
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)S1	REAL300012025083	0	35	0.0	-43.63	316.76	7.75	-35.88
CCOC1=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC(Cl)=C1OC	REAL300012025084	0	49	0.0	-63.44	409.60	8.69	-54.75
C=CCOC1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025085	0	46	0.0	-39.61	369.12	8.72	-30.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC)=C1OC(C)C	REAL300012025086	0	52	0.0	-53.72	405.64	8.93	-44.79
CCOC1=C(Cl)C=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1OC	REAL300012025087	0	49	0.0	-63.41	409.60	8.72	-54.69
CCCOC1=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=CC=C1OCC	REAL300012025088	0	55	0.0	-34.67	419.35	9.79	-24.88
CCCCOC1=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC=C1OC	REAL300012025089	0	55	0.0	-44.96	428.46	9.61	-35.35
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OC(F)F)=C1	REAL300012025090	0	46	0.0	-48.66	373.37	7.40	-41.26
CCOC1=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC=C1OC(F)F	REAL300012025091	0	49	0.0	-62.38	399.01	8.32	-54.06
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=C(OC(F)F)C(C)=C1	REAL300012025092	0	48	0.0	-59.22	385.89	8.90	-50.32
CCOC1=CC2=C(C=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])OC(C)C2	REAL300012025093	0	53	0.0	-38.65	411.74	8.79	-29.86
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C2OCCOC2=C1	REAL300012025094	0	48	0.0	-47.72	378.55	6.93	-40.79
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012025095	0	47	0.0	-53.68	399.33	9.34	-44.34
CCCCN1N=C(C)C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1Cl	REAL300012025096	0	50	0.0	-36.26	407.76	8.97	-27.29
CCOC1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1OC(F)F	REAL300012025097	0	49	0.0	-36.25	387.58	8.75	-27.50
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012025098	0	56	0.0	-61.15	443.33	10.10	-51.05
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=C(C)C=C1C	REAL300012025099	0	47	0.0	-38.18	354.40	9.59	-28.59
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012025100	0	45	0.0	-43.85	372.70	10.69	-33.16
CCCOC1=C(Cl)C=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1OC	REAL300012025101	0	52	0.0	-63.34	431.10	9.52	-53.82
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012025102	0	45	0.0	-51.48	379.75	9.99	-41.49
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC(C)(C)C1=CC=CC=C1	REAL300012025103	0	47	0.0	-56.80	357.15	9.64	-47.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1CCCCC1	REAL300012025104	0	54	0.0	-39.59	409.19	9.38	-30.21
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC(C)CCC1=CC=CC=C1	REAL300012025105	0	50	0.0	-41.08	383.92	10.79	-30.29
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC2=C(CC(C)(C)CC2)S1	REAL300012025106	0	50	0.0	-53.82	392.88	8.58	-45.24
CCC1=CC=CC(Cl)=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025107	0	44	0.0	-30.82	345.70	9.53	-21.29
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(C)=C(C)C=C2O1	REAL300012025108	0	47	0.0	-46.24	371.04	9.64	-36.60
CCCC1CCC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])CC1	REAL300012025109	0	53	0.0	-56.04	390.05	10.27	-45.77
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012025110	0	45	0.0	-57.96	373.82	8.29	-49.67
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012025111	0	45	0.0	-64.86	364.61	10.31	-54.55
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012025112	0	45	0.0	-48.19	373.46	9.93	-38.26
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012025113	0	44	0.0	-44.77	365.33	7.61	-37.16
CCCCC1=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C2=CC=CC=C2O1	REAL300012025114	0	53	0.0	-42.44	416.20	11.33	-31.11
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012025115	0	51	0.0	-49.73	411.68	12.59	-37.14
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C2=CC=C(F)C=C2)N=C1C	REAL300012025116	0	51	0.0	-43.84	407.52	10.11	-33.73
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012025117	0	47	0.0	-46.60	383.76	8.38	-38.22
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=CC=C1OC	REAL300012025118	0	45	0.0	-35.52	354.37	7.95	-27.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(F)=C1	REAL300012025119	0	42	0.0	-61.74	344.38	7.29	-54.45
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012025120	0	47	0.0	-61.42	367.23	9.18	-52.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1CCOC(C(C)C)C1	REAL300012025121	0	51	0.0	-40.60	374.68	8.05	-32.55
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012025122	0	45	0.0	-65.52	385.80	8.69	-56.83
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012025123	0	44	0.0	-53.15	381.49	8.51	-44.64
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012025124	0	44	0.0	-60.54	384.14	8.32	-52.22
CCSC1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025125	0	45	0.0	-57.10	370.33	9.78	-47.32
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012025126	1	39	0.0	-59.29	339.81	5.66	-53.63
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1(OC)CCCCC1	REAL300012025127	0	48	0.0	-35.41	347.09	7.30	-28.11
CCN1N=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C2=CC=CC=C21	REAL300012025128	0	47	0.0	-44.18	376.61	8.69	-35.49
COCCC1(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])CCCCC1	REAL300012025129	0	54	0.0	-40.71	382.61	8.14	-32.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012025130	0	35	0.0	-58.58	336.37	8.23	-50.35
CCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025131	0	48	0.0	-57.61	381.50	8.95	-48.66
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1C	REAL300012025132	0	51	0.0	-37.17	423.67	10.40	-26.77
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012025133	0	41	0.0	-46.16	332.74	8.43	-37.73
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012025134	0	45	0.0	-45.67	365.11	9.80	-35.87
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(C)C)C(OC)=C1	REAL300012025135	0	52	0.0	-60.48	407.18	8.66	-51.82
CCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1OCC	REAL300012025136	0	55	0.0	-60.47	432.60	9.76	-50.71
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012025137	0	43	0.0	-68.55	353.05	9.11	-59.44
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(C)C)C=C1	REAL300012025138	0	48	0.0	-40.99	375.59	8.88	-32.11
CCCCCCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025139	0	60	0.0	-57.38	467.50	12.07	-45.31
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300012025140	0	59	0.0	-40.86	437.82	12.28	-28.58
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012025141	0	42	0.0	-56.35	340.01	7.92	-48.43
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Br)C=CS1	REAL300012025142	0	35	0.0	-52.04	318.33	7.57	-44.47
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012025143	0	51	0.0	-34.81	385.30	7.34	-27.47
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1Br	REAL300012025144	0	38	0.0	-35.19	323.65	8.38	-26.81
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CC(C)C)C=C1	REAL300012025145	0	50	0.0	-55.13	389.80	10.61	-44.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=C(C)C=C2)=C1	REAL300012025146	0	51	0.0	-43.44	400.48	11.99	-31.45
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=CC=C1Br	REAL300012025147	0	42	0.0	-38.61	349.73	7.79	-30.82
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300012025148	0	44	0.0	-47.28	360.38	8.65	-38.63
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012025149	0	38	0.0	-42.39	338.27	8.93	-33.46
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012025150	0	38	0.0	-60.81	332.19	8.51	-52.30
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CO1	REAL300012025151	0	35	0.0	-57.27	311.11	6.70	-50.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=CC=C2C)=C1	REAL300012025152	0	51	0.0	-43.70	400.95	11.99	-31.71
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012025153	0	42	0.0	-43.22	344.12	7.49	-35.73
CCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1OCC	REAL300012025154	0	52	0.0	-60.65	411.10	8.96	-51.69
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012025155	0	38	0.0	-57.84	330.96	8.48	-49.36
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012025156	0	41	0.0	-63.40	360.54	9.33	-54.07
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C=C1Br	REAL300012025157	0	38	0.0	-56.06	331.30	8.54	-47.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012025158	0	42	0.0	-60.15	354.65	7.72	-52.43
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012025159	0	38	0.0	-37.71	327.45	8.45	-29.26
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2OC)C=C1	REAL300012025160	0	52	0.0	-58.38	416.86	10.99	-47.39
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012025161	0	38	0.0	-43.88	317.63	8.06	-35.82
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012025162	0	48	0.0	-48.99	404.10	10.82	-38.17
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012025163	0	38	0.0	-35.82	326.56	8.45	-27.37
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C2=CC=CC=C12	REAL300012025164	0	48	0.0	-57.37	377.95	9.42	-47.95
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012025165	0	45	0.0	-57.47	364.06	8.03	-49.44
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012025165	1	45	0.0	-38.78	362.13	7.84	-30.94
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1F	REAL300012025166	0	38	0.0	-36.39	316.67	8.01	-28.38
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC2=CC=CC=C2N1C	REAL300012025167	0	44	0.0	-57.58	355.90	8.30	-49.28
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(O)=C1Br	REAL300012025168	0	43	0.0	-35.24	356.44	5.52	-29.72
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OCCC2=C1	REAL300012025169	0	43	0.0	-42.79	340.70	7.77	-35.02
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(Br)=C1	REAL300012025170	0	35	0.0	-43.38	316.46	7.60	-35.78
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012025171	0	48	0.0	-57.97	382.86	11.33	-46.64
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012025172	0	51	0.0	-57.36	413.48	9.48	-47.88
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012025173	0	49	0.0	-45.12	378.73	7.83	-37.29
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012025174	0	42	0.0	-39.15	333.86	7.87	-31.28
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012025175	0	38	0.0	-62.15	335.66	8.59	-53.56
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N=C(C)S1	REAL300012025176	0	40	0.0	-41.14	328.58	6.31	-34.83
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012025177	0	47	0.0	-56.50	380.37	9.80	-46.70
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012025178	0	47	0.0	-42.67	374.08	9.55	-33.12
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012025179	0	47	0.0	-61.16	378.07	9.58	-51.58
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C(C)(C)C)N=C1C	REAL300012025180	0	53	0.0	-43.24	397.05	8.42	-34.82
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCN(C)CC2)C=C1	REAL300012025181	1	55	0.0	-57.00	417.86	6.63	-50.37
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012025182	0	47	0.0	-45.47	385.92	6.44	-39.03
CNC(=O)C1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025183	0	45	0.0	-46.45	361.28	6.20	-40.25
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012025184	0	45	0.0	-43.76	370.10	9.19	-34.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C2=CC=C(Cl)C=C2)N=C1C	REAL300012025185	0	51	0.0	-43.39	417.83	10.56	-32.83
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012025186	0	45	0.0	-43.29	380.42	9.64	-33.65
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C2=CC=C(F)C=C2F)N=C1C	REAL300012025187	0	51	0.0	-41.44	413.49	10.22	-31.22
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012025188	0	45	0.0	-43.32	375.74	8.61	-34.71
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012025189	0	44	0.0	-42.83	351.26	10.18	-32.65
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC(OC)=C2O1	REAL300012025190	0	45	0.0	-49.99	362.23	7.73	-42.26
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(C)C)C([N+](=O)[O-])=C1	REAL300012025191	0	49	0.0	-55.16	388.88	10.36	-44.80
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012025192	0	41	0.0	-63.07	356.01	7.20	-55.87
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300012025193	0	54	0.0	-58.26	430.85	10.54	-47.72
CCOC1=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC=C1OCC(C)C	REAL300012025194	0	58	0.0	-60.18	452.70	10.44	-49.74
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC=C1F	REAL300012025195	0	38	0.0	-37.76	332.01	8.55	-29.21
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1F	REAL300012025196	0	38	0.0	-57.94	335.52	8.59	-49.35
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=CC(OC)=C1	REAL300012025197	0	46	0.0	-42.69	363.81	6.53	-36.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=C(OC)C=C2C=C1	REAL300012025198	0	48	0.0	-46.20	380.61	9.47	-36.73
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CS1	REAL300012025200	0	35	0.0	-40.70	316.84	7.65	-33.05
CCCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1OCC	REAL300012025201	0	58	0.0	-43.57	450.31	10.53	-33.04
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300012025202	0	51	0.0	-40.52	400.80	10.00	-30.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC)=C1OC(F)F	REAL300012025203	0	46	0.0	-56.19	375.61	7.49	-48.70
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012025204	0	42	0.0	-45.95	365.39	8.48	-37.47
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012025205	0	58	0.0	-57.81	446.60	11.24	-46.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012025206	0	44	0.0	-55.20	355.20	6.96	-48.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012025208	0	38	0.0	-61.84	335.65	8.58	-53.26
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2=CC=C(C)C=C2)C=C1	REAL300012025209	0	55	0.0	-59.49	441.32	11.88	-47.61
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012025210	0	53	0.0	-56.23	401.59	9.21	-47.02
CCCCCCOC1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025211	0	57	0.0	-39.29	442.21	11.28	-28.01
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC)C(OC)=C1	REAL300012025212	0	46	0.0	-60.70	377.56	8.27	-52.43
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCCCC#N)=C1	REAL300012025213	0	49	0.0	-46.62	398.57	9.45	-37.17
CCCCCOC1=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC=C1OC	REAL300012025214	0	58	0.0	-44.91	449.96	10.39	-34.52
CCC(C)OC1=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC=C1OC	REAL300012025215	0	55	0.0	-60.53	428.01	9.46	-51.07
CCCCCCCOC1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025216	0	60	0.0	-39.20	463.71	12.06	-27.14
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OCCCC#N)=C1	REAL300012025217	0	53	0.0	-49.11	427.81	9.35	-39.76
C=C(C)COC1=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC=C1OC	REAL300012025218	0	53	0.0	-61.41	421.57	9.40	-52.01
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OCCC(C)C)=C1	REAL300012025219	0	58	0.0	-60.60	449.81	10.14	-50.46
C=CCC1=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC(OC)=C1O	REAL300012025220	0	50	0.0	-43.93	399.73	7.06	-36.87
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012025221	0	45	0.0	-62.29	368.05	7.84	-54.45
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025222	0	47	0.0	-46.18	383.41	8.85	-37.33
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(OCC(F)(F)F)N(C)N=C1C	REAL300012025223	0	48	0.0	-38.44	401.86	6.44	-32.00
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012025224	0	44	0.0	-52.99	357.76	7.74	-45.25
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012025225	0	44	0.0	-37.94	368.00	8.68	-29.26
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012025226	0	51	0.0	-61.39	402.70	7.05	-54.34
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2C(=C1)N=CN2C	REAL300012025227	0	44	0.0	-42.99	353.24	9.25	-33.74
CCN1N=C(C)C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1C	REAL300012025228	0	47	0.0	-38.79	366.55	7.50	-31.29
C=CCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1Cl	REAL300012025229	0	46	0.0	-60.19	388.94	9.28	-50.91
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012025230	0	44	0.0	-57.72	373.68	8.94	-48.78
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=CC2=C1OC(C)C2	REAL300012025231	0	50	0.0	-54.44	395.09	7.80	-46.64
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OC(C)(C)CC2=C1	REAL300012025232	0	49	0.0	-43.61	382.22	9.17	-34.44
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012025233	0	44	0.0	-48.40	361.52	6.34	-42.06
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012025234	0	41	0.0	-46.88	361.34	7.73	-39.15
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CC(C)=C1	REAL300012025235	0	48	0.0	-56.79	379.41	8.38	-48.41
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012025236	0	41	0.0	-61.84	364.83	9.45	-52.39
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012025237	0	38	0.0	-56.06	342.65	8.99	-47.07
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C=C1Br	REAL300012025238	0	41	0.0	-52.44	346.31	9.14	-43.30
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC(C)C)C=C1	REAL300012025239	0	51	0.0	-41.24	397.77	9.64	-31.60
COCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025240	0	49	0.0	-43.16	389.79	7.42	-35.74
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1	REAL300012025241	0	53	0.0	-44.98	433.61	11.61	-33.37
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012025242	0	42	0.0	-61.48	363.93	8.04	-53.44
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012025243	0	46	0.0	-47.17	397.90	9.37	-37.80
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C)N=C1C1=CC=CC=C1	REAL300012025244	0	48	0.0	-34.84	388.36	9.22	-25.62
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C=C1OC)OCO2	REAL300012025245	0	45	0.0	-40.51	359.03	5.93	-34.58
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012025246	0	43	0.0	-56.11	345.05	8.29	-47.82
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC(C)C)=C1	REAL300012025247	0	51	0.0	-39.23	397.82	9.63	-29.60
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=C1C	REAL300012025248	0	41	0.0	-38.95	332.56	8.87	-30.08
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012025249	0	42	0.0	-43.46	342.31	9.28	-34.18
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)N=C1	REAL300012025250	0	37	0.0	-47.63	316.51	6.56	-41.07
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=CC(Br)=C1	REAL300012025251	0	37	0.0	-60.96	325.21	6.75	-54.21
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2C(=C1)N=NN2C	REAL300012025252	0	43	0.0	-66.36	353.03	6.38	-59.98
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OC(C)(C)C2	REAL300012025253	0	49	0.0	-34.58	382.07	9.13	-25.45
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012025254	0	43	0.0	-38.00	361.93	8.34	-29.66
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC=CC=C1	REAL300012025255	0	48	0.0	-56.03	380.89	9.07	-46.96
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012025256	0	45	0.0	-58.52	367.06	9.12	-49.40
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=C(Br)S1	REAL300012025257	0	38	0.0	-56.34	340.14	8.36	-47.98
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012025258	0	43	0.0	-35.60	363.17	8.95	-26.65
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=C(C)N=C2C=C1	REAL300012025259	0	46	0.0	-45.10	367.85	8.89	-36.21
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300012025260	0	53	0.0	-62.45	428.28	10.12	-52.33
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012025261	0	40	0.0	-36.31	324.33	6.78	-29.53
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC(C)=CC(C)=C2)C=C1	REAL300012025262	0	54	0.0	-58.36	425.67	12.66	-45.70
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=NC=N2)C(C)=C1	REAL300012025263	0	47	0.0	-66.57	383.15	11.47	-55.10
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012025264	0	41	0.0	-46.33	339.15	8.50	-37.83
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012025265	0	45	0.0	-62.24	373.02	8.47	-53.77
COCC1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025266	0	45	0.0	-57.53	363.71	7.64	-49.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1C	REAL300012025267	0	48	0.0	-62.26	404.15	10.24	-52.02
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012025268	0	52	0.0	-41.63	422.54	11.26	-30.37
CCCCOC1=CC=CC=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025269	0	51	0.0	-52.31	401.74	9.78	-42.53
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012025270	0	49	0.0	-61.14	409.50	12.03	-49.11
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=C(C)C=C1OC(F)F	REAL300012025271	0	48	0.0	-55.77	385.71	8.79	-46.98
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OC)C=C1C	REAL300012025272	0	49	0.0	-42.20	374.52	7.55	-34.65
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC2=CC(Cl)=CC=C2N1C	REAL300012025273	0	44	0.0	-38.34	368.35	8.78	-29.56
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1S(C)(=O)=O	REAL300012025274	1	44	0.0	-43.27	355.86	6.42	-36.85
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025275	0	47	0.0	-40.56	384.65	7.56	-33.00
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012025276	0	42	0.0	-35.01	344.29	6.81	-28.20
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1SC	REAL300012025277	0	42	0.0	-54.12	365.63	9.47	-44.65
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012025278	0	48	0.0	-50.06	395.52	9.65	-40.41
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC2=C(CC(C)CC2)S1	REAL300012025279	0	47	0.0	-53.97	377.97	8.28	-45.69
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1CCC(C(C)(C)C)CC1	REAL300012025280	0	56	0.0	-55.88	391.26	10.00	-45.88
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1OC	REAL300012025281	0	52	0.0	-55.05	410.98	10.70	-44.35
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=C2)=CC=C1OC	REAL300012025282	0	52	0.0	-54.53	410.98	10.69	-43.84
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=NC=C2)=CC=C1OC	REAL300012025283	0	51	0.0	-40.39	402.31	8.93	-31.46
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012025284	0	49	0.0	-41.56	387.84	9.73	-31.83
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C(OC)C=C1Cl	REAL300012025285	0	42	0.0	-37.04	360.03	8.11	-28.93
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(CC(C)C)S1	REAL300012025286	0	46	0.0	-41.53	371.56	7.88	-33.65
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012025287	0	41	0.0	-57.41	365.55	8.02	-49.39
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012025288	0	41	0.0	-57.57	364.81	7.89	-49.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=C(C)O2)S1	REAL300012025289	0	44	0.0	-46.31	374.86	7.84	-38.47
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1C	REAL300012025290	0	41	0.0	-38.93	337.12	8.98	-29.95
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012025291	0	38	0.0	-60.86	344.77	8.99	-51.87
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012025292	0	45	0.0	-39.31	367.57	7.86	-31.45
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012025293	0	47	0.0	-60.65	383.61	9.62	-51.03
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012025294	0	41	0.0	-42.10	349.25	8.88	-33.22
COCCOC1=CC=CC=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025295	0	49	0.0	-53.66	392.37	7.47	-46.19
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012025296	0	38	0.0	-55.27	341.63	8.98	-46.29
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Br)=C1OC	REAL300012025297	0	42	0.0	-55.86	358.61	7.98	-47.88
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC2=C(CCC2)S1	REAL300012025298	0	41	0.0	-54.89	339.28	7.08	-47.81
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC=CS1	REAL300012025299	0	45	0.0	-55.21	375.13	8.35	-46.86
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012025300	0	52	0.0	-36.87	414.71	10.70	-26.17
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012025301	0	49	0.0	-35.20	406.84	11.23	-23.97
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012025302	0	53	0.0	-37.87	428.65	9.17	-28.70
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C(C)(C)C	REAL300012025303	0	57	0.0	-58.00	432.58	11.37	-46.63
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012025304	0	45	0.0	-46.21	371.51	9.86	-36.35
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(C)(C)C)S1	REAL300012025305	0	46	0.0	-56.17	375.49	7.71	-48.46
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012025306	0	44	0.0	-60.05	353.15	7.08	-52.97
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Br)=C1	REAL300012025307	0	38	0.0	-58.49	329.94	8.54	-49.95
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012025308	0	45	0.0	-62.52	367.87	9.14	-53.38
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012025309	0	48	0.0	-41.81	401.72	10.05	-31.76
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C(C)(C)C)N=C1	REAL300012025310	0	47	0.0	-40.36	367.64	7.73	-32.63
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(NC(C)=O)C=C1	REAL300012025311	0	45	0.0	-44.17	360.97	6.82	-37.35
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012025312	0	40	0.0	-68.72	336.86	8.59	-60.13
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012025313	0	40	0.0	-69.26	336.86	8.59	-60.67
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012025314	0	44	0.0	-55.35	349.62	10.07	-45.28
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N(C)C)C=C1	REAL300012025315	0	46	0.0	-40.60	356.31	8.33	-32.27
CCN(CC)C1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025316	0	52	0.0	-54.70	403.78	10.23	-44.47
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1	REAL300012025317	0	38	0.0	-42.30	326.10	8.54	-33.76
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OC)C(OC)=C1	REAL300012025318	0	50	0.0	-63.79	400.55	7.04	-56.75
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012025319	0	38	0.0	-50.62	328.40	8.37	-42.25
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012025320	0	42	0.0	-56.24	346.64	7.56	-48.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC)=C1OC	REAL300012025321	0	46	0.0	-55.08	367.49	7.19	-47.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012025322	0	38	0.0	-55.95	338.07	8.88	-47.07
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012025323	0	51	0.0	-57.94	392.65	6.76	-51.18
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OC)=C1	REAL300012025324	0	46	0.0	-61.04	367.39	7.12	-53.92
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C=C1OC	REAL300012025325	0	46	0.0	-55.10	366.32	6.58	-48.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012025326	0	41	0.0	-44.06	343.53	8.92	-35.14
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C=C1F	REAL300012025327	0	38	0.0	-58.67	320.63	8.03	-50.64
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012025328	0	38	0.0	-33.80	330.27	8.73	-25.07
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012025329	0	38	0.0	-60.95	340.56	8.89	-52.06
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025330	0	59	0.0	-56.27	458.70	13.05	-43.22
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012025331	0	42	0.0	-45.51	344.06	7.50	-38.01
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012025332	0	41	0.0	-55.43	336.57	8.86	-46.57
CCCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025333	0	51	0.0	-57.67	403.00	9.73	-47.94
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCCC(C)C)C=C1	REAL300012025334	0	54	0.0	-57.54	420.57	10.25	-47.29
CCCCCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025335	0	57	0.0	-57.42	446.00	11.29	-46.13
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012025336	0	49	0.0	-59.16	398.23	10.80	-48.36
CCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C(OCCC)=C1	REAL300012025337	0	58	0.0	-35.16	449.15	10.02	-25.14
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC(C)=CC1=CC=CC=C1	REAL300012025338	0	45	0.0	-57.94	356.22	9.69	-48.25
CCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1OC	REAL300012025339	0	49	0.0	-60.80	389.25	8.04	-52.76
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(C)C)C=C1	REAL300012025340	0	47	0.0	-55.26	368.87	9.85	-45.41
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012025341	0	41	0.0	-40.70	343.58	8.90	-31.80
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OC)=C1OC	REAL300012025342	0	50	0.0	-37.50	396.80	7.10	-30.40
CCOC1=CC=CC=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025343	0	45	0.0	-52.33	358.74	8.20	-44.13
CCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025344	0	45	0.0	-41.61	356.17	8.15	-33.46
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC=C1OC	REAL300012025345	0	42	0.0	-38.08	354.28	7.89	-30.19
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C(O)C(OC)=C1	REAL300012025346	0	43	0.0	-63.07	369.71	5.70	-57.37
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012025347	0	48	0.0	-58.25	382.86	11.34	-46.91
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C=CC2=CC=CC=C21	REAL300012025348	0	48	0.0	-50.94	379.02	9.41	-41.53
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC)C=C1	REAL300012025349	0	42	0.0	-58.45	348.86	8.95	-49.50
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012025350	0	38	0.0	-49.17	337.14	8.76	-40.41
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OC)C=C1OC	REAL300012025351	0	50	0.0	-57.12	395.55	6.48	-50.64
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=C(C)C=C1C	REAL300012025352	0	47	0.0	-52.70	363.39	9.64	-43.06
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1F	REAL300012025353	0	38	0.0	-52.15	319.66	7.98	-44.17
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012025354	0	38	0.0	-63.51	321.35	8.04	-55.47
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1C	REAL300012025355	0	48	0.0	-37.71	398.18	9.90	-27.81
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012025356	0	52	0.0	-58.28	419.91	11.20	-47.08
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1Br	REAL300012025357	0	38	0.0	-49.09	324.11	8.52	-40.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(O)=C1	REAL300012025358	0	43	0.0	-59.92	348.91	5.06	-54.86
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C)N=C1C	REAL300012025359	0	41	0.0	-36.81	342.96	6.56	-30.25
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012025360	0	41	0.0	-65.09	351.27	7.10	-57.99
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C(C)(C)C	REAL300012025361	0	50	0.0	-35.98	367.28	7.75	-28.23
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1I	REAL300012025362	0	38	0.0	-47.28	329.44	8.95	-38.33
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012025363	0	46	0.0	-42.58	381.96	7.13	-35.45
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012025364	0	55	0.0	-57.01	427.87	11.16	-45.85
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N(C)CCC#N)C=C1	REAL300012025365	0	50	0.0	-60.98	402.82	9.78	-51.20
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012025366	0	48	0.0	-53.81	388.76	9.68	-44.13
CCOC1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1OC	REAL300012025367	0	49	0.0	-35.18	385.38	8.10	-27.08
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OCC(N)=O)=C1	REAL300012025368	0	50	0.0	-73.79	405.98	5.08	-68.71
C#CCOC1=CC=CC=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025369	0	44	0.0	-53.92	364.53	8.75	-45.17
CCNC(=O)COC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1OC	REAL300012025370	0	56	0.0	-70.73	449.40	7.36	-63.37
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C2OCOC2=C1	REAL300012025371	0	45	0.0	-64.19	364.23	5.86	-58.33
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012025372	1	44	0.0	-58.36	363.08	7.71	-50.65
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C=C1OC)CC(C)O2	REAL300012025373	0	50	0.0	-39.50	389.88	7.86	-31.64
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OCC(N)=O)C(OC)=C1	REAL300012025374	0	54	0.0	-71.89	439.14	4.88	-67.01
CCN(C(C)=O)C1=NC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CS1	REAL300012025375	1	47	0.0	-55.22	383.69	7.80	-47.42
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(C)=C1	REAL300012025376	0	45	0.0	-57.70	358.22	7.97	-49.73
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C(C)(C)C	REAL300012025377	0	47	0.0	-57.35	352.64	6.65	-50.70
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C=CC=C1OC	REAL300012025378	0	46	0.0	-36.51	361.16	6.64	-29.87
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=CC=C1F	REAL300012025379	0	42	0.0	-42.65	338.83	7.25	-35.40
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(I)=C1	REAL300012025380	0	38	0.0	-58.24	336.42	9.01	-49.23
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(I)C=C1	REAL300012025381	0	38	0.0	-42.13	332.58	9.02	-33.11
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC)S1	REAL300012025382	0	39	0.0	-42.05	338.37	8.23	-33.82
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012025383	0	48	0.0	-59.42	395.80	8.77	-50.65
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C1=CC=CC=C1C	REAL300012025384	0	51	0.0	-31.49	389.16	11.69	-19.80
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OCO2	REAL300012025385	0	41	0.0	-36.68	330.82	6.57	-30.11
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CS1	REAL300012025386	0	35	0.0	-52.38	314.16	7.48	-44.90
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(S(C)(=O)=O)C=C1	REAL300012025387	0	44	0.0	-50.51	365.50	5.44	-45.07
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012025388	0	48	0.0	-43.05	395.75	11.86	-31.19
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1OC	REAL300012025389	0	42	0.0	-38.95	339.38	7.34	-31.61
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(N)=O)C=C1	REAL300012025390	0	42	0.0	-46.22	339.35	4.70	-41.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(OC)=C1	REAL300012025391	0	42	0.0	-63.19	344.38	7.29	-55.90
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OC	REAL300012025392	0	42	0.0	-38.03	349.71	7.78	-30.25
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)C(C(=O)OC)=C1	REAL300012025393	0	45	0.0	-41.51	364.23	8.11	-33.40
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C(Cl)=C1	REAL300012025394	0	41	0.0	-58.23	344.11	9.02	-49.21
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C(OC)=C1	REAL300012025395	0	45	0.0	-57.55	358.22	7.97	-49.58
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C#N)C=C1F	REAL300012025396	0	39	0.0	-64.17	335.06	8.34	-55.83
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012025397	0	51	0.0	-42.79	408.89	9.50	-33.29
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=N1	REAL300012025398	0	37	0.0	-46.10	321.15	6.68	-39.42
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012025399	0	47	0.0	-58.42	382.31	5.24	-53.18
C#CCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025400	0	47	0.0	-42.83	383.45	9.47	-33.36
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012025401	0	41	0.0	-49.15	331.78	8.42	-40.73
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C2C(=C1)C(C)=NN2C	REAL300012025402	0	46	0.0	-47.26	371.13	7.64	-39.62
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2CC2)=N1	REAL300012025403	0	41	0.0	-53.35	345.48	7.16	-46.19
CCC1=NC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CS1	REAL300012025404	0	40	0.0	-43.79	332.86	6.39	-37.40
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012025405	0	41	0.0	-47.55	348.50	8.93	-38.62
CCOCC1=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC=C1OC	REAL300012025406	0	52	0.0	-57.35	412.23	8.13	-49.22
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(N)=O)=C1	REAL300012025407	0	42	0.0	-63.83	343.19	4.69	-59.14
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012025408	0	41	0.0	-49.23	340.73	7.34	-41.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012025409	0	47	0.0	-58.15	399.54	7.38	-50.77
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC)=C1F	REAL300012025410	0	42	0.0	-36.25	339.69	7.25	-29.00
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1Br	REAL300012025411	0	38	0.0	-49.86	332.43	8.45	-41.41
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2CCCC2=C1	REAL300012025412	0	45	0.0	-40.76	350.32	9.83	-30.93
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC=C1Br	REAL300012025413	0	35	0.0	-53.32	317.34	7.45	-45.87
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC(C)C	REAL300012025414	0	51	0.0	-52.08	400.34	9.70	-42.38
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012025415	0	44	0.0	-54.20	357.17	7.67	-46.53
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012025416	0	38	0.0	-60.69	336.75	8.61	-52.08
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012025417	0	43	0.0	-46.68	346.15	8.40	-38.28
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1Br	REAL300012025418	0	38	0.0	-33.38	323.05	8.40	-24.98
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(OC)=C1	REAL300012025419	0	42	0.0	-43.08	340.77	7.28	-35.80
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Br)=C1F	REAL300012025420	0	38	0.0	-35.79	330.98	8.56	-27.23
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(C)(C)C)N=C1	REAL300012025421	0	48	0.0	-44.76	376.48	7.86	-36.90
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(S(C)=O)C=C1	REAL300012025422	0	43	0.0	-69.20	360.86	6.52	-62.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012025423	0	48	0.0	-39.99	367.50	10.41	-29.58
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNC(C(=O)OC)=C1	REAL300012025424	0	42	0.0	-52.33	346.46	6.35	-45.98
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OC)=C1C	REAL300012025425	0	49	0.0	-59.44	382.36	7.82	-51.62
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012025426	0	35	0.0	-34.55	324.74	7.86	-26.69
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C=C1OC	REAL300012025427	0	45	0.0	-52.57	358.26	7.95	-44.62
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012025428	0	37	0.0	-62.49	334.72	6.34	-56.15
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(S(C)(=O)=O)=C1	REAL300012025429	0	44	0.0	-65.68	369.34	5.43	-60.25
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CS1	REAL300012025430	0	35	0.0	-41.04	312.25	7.54	-33.50
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012025431	0	51	0.0	-55.39	392.20	11.11	-44.28
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=CC(Cl)=C1	REAL300012025432	0	41	0.0	-58.48	347.19	9.10	-49.38
COCC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025433	0	45	0.0	-57.79	363.71	7.65	-50.14
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012025434	0	45	0.0	-50.97	363.51	9.73	-41.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012025435	0	45	0.0	-56.17	358.25	10.04	-46.13
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(Cl)S1	REAL300012025436	1	34	0.0	-37.64	306.66	5.68	-31.96
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1CCCC1	REAL300012025437	0	48	0.0	-40.02	370.99	8.42	-31.60
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2C=C1OC	REAL300012025438	0	48	0.0	-37.45	379.06	9.54	-27.91
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012025439	0	41	0.0	-59.21	340.83	8.79	-50.42
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=C(OC)N=C1C	REAL300012025440	0	47	0.0	-57.87	369.38	5.68	-52.19
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1OC	REAL300012025441	0	42	0.0	-34.34	345.73	7.65	-26.69
CCC1=CC(OC)=CC=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025442	0	48	0.0	-55.76	371.50	8.50	-47.26
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C)N1C1=CC=CC=C1	REAL300012025443	0	48	0.0	-53.87	387.68	10.19	-43.68
CCCN1N=C(C)C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1C	REAL300012025444	0	50	0.0	-38.61	388.04	8.25	-30.36
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012025445	0	43	0.0	-45.05	346.80	7.58	-37.47
COCCN1C=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=N1	REAL300012025446	0	45	0.0	-60.38	367.06	5.65	-54.73
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012025447	0	48	0.0	-40.15	370.56	10.51	-29.64
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2C(OC)=C1	REAL300012025448	0	48	0.0	-43.76	379.34	9.52	-34.24
CCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1F	REAL300012025449	0	45	0.0	-61.66	366.23	8.22	-53.44
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C(OC)C=CC=C12	REAL300012025450	0	48	0.0	-40.56	370.51	9.28	-31.28
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C#N)C(OC)=C1	REAL300012025451	0	43	0.0	-68.87	358.34	7.64	-61.23
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1=CC=CC=C1C	REAL300012025452	0	48	0.0	-40.41	377.85	9.79	-30.62
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012025453	1	37	0.0	-39.47	330.21	6.23	-33.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C#N)C(C)=C1	REAL300012025454	0	42	0.0	-65.67	348.64	8.82	-56.85
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012025455	0	45	0.0	-61.02	372.65	6.23	-54.79
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C=C1Br	REAL300012025456	0	42	0.0	-54.92	354.38	7.76	-47.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC(C)C)N=C1	REAL300012025457	0	47	0.0	-59.87	370.25	8.19	-51.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C1CC1	REAL300012025458	0	45	0.0	-53.38	351.63	9.93	-43.45
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Br)C=C(C)S1	REAL300012025459	0	38	0.0	-51.48	340.21	8.37	-43.11
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(=O)OC(C)(C)C)=C1	REAL300012025460	0	53	0.0	-61.63	418.34	10.63	-51.00
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1SC(C)C	REAL300012025461	0	48	0.0	-34.10	391.30	10.52	-23.58
CCC1=CN=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])S1	REAL300012025462	0	40	0.0	-36.73	333.04	6.63	-30.10
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2C(=C1)CCC(=O)N2C	REAL300012025463	0	49	0.0	-48.62	381.55	8.84	-39.78
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=CC=C1OC(F)F	REAL300012025464	0	45	0.0	-55.74	368.05	8.22	-47.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012025465	0	44	0.0	-58.54	390.40	9.47	-49.07
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012025466	0	44	0.0	-60.58	378.18	9.18	-51.40
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=C2C)=CC=C1OC	REAL300012025467	0	55	0.0	-38.24	428.99	11.35	-26.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012025468	0	49	0.0	-53.57	407.13	10.30	-43.27
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C(C)C)N=C1C	REAL300012025469	0	47	0.0	-40.16	364.63	7.61	-32.55
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012025470	0	43	0.0	-45.85	358.20	8.78	-37.07
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012025471	0	47	0.0	-41.48	377.05	8.55	-32.93
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012025472	0	44	0.0	-46.24	378.34	9.17	-37.07
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CC2)S1	REAL300012025473	0	41	0.0	-41.54	342.77	7.54	-34.00
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(C)C)S1	REAL300012025474	0	43	0.0	-56.71	358.01	7.24	-49.47
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012025475	0	41	0.0	-46.28	352.94	7.02	-39.26
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012025476	0	38	0.0	-60.99	344.77	8.99	-52.00
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012025477	0	50	0.0	-42.92	414.74	10.43	-32.49
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CN(C)N=C2)C=C1	REAL300012025478	0	48	0.0	-61.80	388.77	9.23	-52.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012025479	0	41	0.0	-61.79	346.38	6.89	-54.90
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012025480	0	49	0.0	-61.75	404.42	10.85	-50.90
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC=C(F)C=C1	REAL300012025481	0	48	0.0	-57.54	387.31	9.15	-48.39
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC=C(C#N)C=C1	REAL300012025482	0	49	0.0	-62.35	401.71	9.47	-52.88
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)N(C)C)N1	REAL300012025483	0	46	0.0	-50.00	363.14	6.06	-43.94
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(N)=O)=CS1	REAL300012025484	0	39	0.0	-43.63	331.48	3.79	-39.84
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)N=C1	REAL300012025485	0	52	0.0	-47.48	412.90	10.39	-37.09
CCC1=NN(C)C(CC)=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025486	0	50	0.0	-40.33	378.83	8.14	-32.19
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012025487	0	44	0.0	-56.16	363.21	8.04	-48.12
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012025488	0	45	0.0	-43.35	368.90	6.13	-37.22
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2C)N=N1	REAL300012025489	0	47	0.0	-58.89	382.88	8.67	-50.22
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=NN1C	REAL300012025490	0	38	0.0	-62.70	331.19	6.02	-56.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CN(C)N=C2)S1	REAL300012025491	0	45	0.0	-59.16	382.60	8.61	-50.55
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012025492	0	50	0.0	-43.35	383.93	8.81	-34.54
CCOC1=C(Cl)C=CC=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025493	0	45	0.0	-34.71	366.32	8.65	-26.06
CCC1=CC=CC(F)=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025494	0	44	0.0	-32.49	341.14	9.24	-23.25
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012025495	0	38	0.0	-46.75	337.76	8.90	-37.85
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NN(C(F)F)C=C1	REAL300012025496	0	38	0.0	-45.06	321.09	5.82	-39.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1=CC=CC=C1OC	REAL300012025497	0	49	0.0	-41.50	390.52	8.31	-33.19
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012025498	0	42	0.0	-38.70	354.81	7.80	-30.90
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012025499	0	45	0.0	-56.95	371.69	8.91	-48.04
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C=C1C1=CN(C)N=C1	REAL300012025500	0	51	0.0	-53.71	400.24	9.72	-43.99
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C=C1C1=CC=NN1C	REAL300012025501	0	51	0.0	-32.61	392.06	9.09	-23.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(C(C)C)S1	REAL300012025502	0	43	0.0	-36.61	352.99	7.21	-29.40
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012025503	0	48	0.0	-44.20	402.40	10.12	-34.08
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C(C)C=C1Br	REAL300012025504	0	41	0.0	-37.94	355.74	9.58	-28.36
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012025505	0	48	0.0	-38.30	404.18	9.88	-28.42
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(C(C)(C)C)S1	REAL300012025506	0	46	0.0	-36.34	371.19	7.70	-28.64
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C2CC2)N=CS1	REAL300012025507	0	41	0.0	-40.49	338.30	7.26	-33.23
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CCC#N)N=C1C1=CC=NC=C1	REAL300012025508	0	51	0.0	-63.61	418.43	8.68	-54.93
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012025509	0	44	0.0	-32.76	351.41	10.93	-21.83
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(=O)OC)=C(C)N1C	REAL300012025510	0	48	0.0	-42.25	382.86	8.43	-33.82
COCCCN1N=CC=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025511	0	48	0.0	-56.81	380.70	6.24	-50.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=C(C)C=C1Cl	REAL300012025512	0	41	0.0	-36.42	344.30	8.98	-27.44
COCCOCC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025513	0	52	0.0	-59.33	419.19	7.88	-51.45
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(CSC)S1	REAL300012025514	0	41	0.0	-38.52	356.27	7.07	-31.45
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012025515	0	38	0.0	-31.79	321.02	7.75	-24.04
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C2=CC=CC(Cl)=C2S1	REAL300012025516	0	44	0.0	-44.94	372.00	10.37	-34.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012025517	0	52	0.0	-52.19	428.23	10.33	-41.86
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012025518	0	45	0.0	-39.88	354.02	10.02	-29.86
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C#N)C(F)=C1	REAL300012025519	0	39	0.0	-69.09	335.39	8.36	-60.73
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012025520	0	41	0.0	-50.30	344.49	7.00	-43.30
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=C(C)C=C1F	REAL300012025521	0	41	0.0	-51.60	341.06	8.66	-42.94
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC=C(C)O1	REAL300012025522	0	48	0.0	-56.43	392.49	8.35	-48.08
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1CC(C)C	REAL300012025523	0	47	0.0	-56.03	365.58	7.96	-48.07
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012025524	0	37	0.0	-53.72	336.93	7.16	-46.56
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNC(C(=O)OC)=C1C	REAL300012025525	0	45	0.0	-41.99	360.39	6.86	-35.13
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=C(C)C(C)=C2)S1	REAL300012025526	0	50	0.0	-57.77	412.04	10.15	-47.62
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2F)N=C1C	REAL300012025527	0	48	0.0	-45.41	388.49	9.81	-35.60
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2Cl)N=C1C	REAL300012025528	0	48	0.0	-43.56	396.20	10.36	-33.20
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(C)C=C2)N=C1C	REAL300012025529	0	51	0.0	-61.19	408.84	10.40	-50.79
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(C)(C)C#N)C=C1	REAL300012025530	0	48	0.0	-62.97	385.26	9.88	-53.09
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(C)C	REAL300012025531	0	47	0.0	-53.01	362.70	9.71	-43.30
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NN2CCCCC2=C1	REAL300012025532	0	45	0.0	-44.03	349.41	7.26	-36.77
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012025533	0	44	0.0	-41.47	355.17	7.56	-33.91
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012025534	0	40	0.0	-48.73	327.75	6.71	-42.02
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=C(OC)C=C1OC	REAL300012025535	0	46	0.0	-57.53	372.55	6.66	-50.87
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OC)C=C1F	REAL300012025536	0	46	0.0	-46.19	368.07	7.17	-39.02
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C=C1Cl	REAL300012025537	0	41	0.0	-53.00	342.75	9.04	-43.96
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC(C)=C2)N=C1C	REAL300012025538	0	51	0.0	-42.93	401.81	10.29	-32.64
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C=C1F	REAL300012025539	0	42	0.0	-57.56	343.71	7.25	-50.31
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1CCC2	REAL300012025540	0	45	0.0	-54.35	352.87	9.75	-44.60
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1OC	REAL300012025541	0	42	0.0	-36.11	338.32	7.29	-28.82
CCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C(C)=C1	REAL300012025542	0	51	0.0	-56.25	396.63	9.58	-46.67
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012025543	0	40	0.0	-59.76	340.77	7.68	-52.08
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012025544	0	41	0.0	-45.85	354.03	9.05	-36.80
CCC1=C2OC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC2=CC=C1	REAL300012025545	0	47	0.0	-45.81	375.64	9.86	-35.95
C=CCCN1C=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])N=N1	REAL300012025546	0	44	0.0	-52.50	357.68	6.58	-45.92
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1CC1CC1	REAL300012025547	0	45	0.0	-36.99	346.47	7.64	-29.35
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012025548	0	46	0.0	-58.58	374.77	8.94	-49.64
CCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C(C)=C1	REAL300012025549	0	48	0.0	-38.63	367.16	8.58	-30.05
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012025550	0	42	0.0	-58.46	352.98	7.63	-50.83
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012025551	0	42	0.0	-41.72	349.51	7.60	-34.12
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012025552	0	51	0.0	-55.10	392.87	11.13	-43.97
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CN(C)N=C1	REAL300012025553	0	48	0.0	-62.80	388.09	7.09	-55.71
COCC1=CSC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025554	0	42	0.0	-55.57	354.17	6.75	-48.82
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012025555	0	44	0.0	-51.94	347.33	6.39	-45.55
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012025556	0	44	0.0	-44.48	386.91	9.45	-35.03
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012025557	0	38	0.0	-41.99	335.76	8.06	-33.93
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012025558	0	38	0.0	-47.87	326.78	7.27	-40.60
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012025559	0	38	0.0	-32.63	321.10	7.83	-24.80
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(F)=C1N(C)C	REAL300012025560	0	46	0.0	-37.55	364.57	7.93	-29.62
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012025561	0	38	0.0	-52.86	333.86	8.41	-44.45
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C(OC(C)C)C=C1Cl	REAL300012025562	0	48	0.0	-36.71	400.48	9.70	-27.01
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012025563	0	50	0.0	-44.79	390.81	7.60	-37.19
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=C(N(C)C)C=C1F	REAL300012025564	0	46	0.0	-44.24	370.24	7.51	-36.73
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(=O)OC)=C2CCCCN12	REAL300012025565	0	52	0.0	-41.62	406.55	9.66	-31.96
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012025566	0	38	0.0	-52.79	321.97	8.09	-44.70
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=CC(C(F)(F)F)=C1	REAL300012025567	0	45	0.0	-60.40	377.61	8.24	-52.16
C=CCOC1=C(Cl)C=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1OC	REAL300012025568	0	50	0.0	-63.68	422.51	9.30	-54.38
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OC2CC2)=C1	REAL300012025569	0	50	0.0	-62.06	398.63	8.80	-53.26
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(F)(F)F)=NN1C	REAL300012025570	0	41	0.0	-44.02	347.11	6.46	-37.56
COCC(C)OC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025571	0	52	0.0	-60.87	410.97	8.16	-52.71
CCCC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])S1	REAL300012025572	0	44	0.0	-53.35	363.74	9.39	-43.96
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012025573	0	45	0.0	-41.86	372.17	10.54	-31.32
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012025574	0	51	0.0	-57.91	405.85	10.15	-47.76
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(C)C)=C1	REAL300012025575	0	47	0.0	-55.17	368.87	9.84	-45.33
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1Cl	REAL300012025576	0	38	0.0	-56.49	328.48	6.15	-50.34
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012025577	0	45	0.0	-36.27	374.53	8.57	-27.70
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(C(C)(C)C)=C1	REAL300012025578	0	54	0.0	-41.78	405.53	9.89	-31.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012025579	0	51	0.0	-40.59	396.20	11.43	-29.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C=CC=C1OC(F)(F)F	REAL300012025580	0	46	0.0	-50.15	381.47	7.14	-43.01
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=C(Br)C=N1	REAL300012025581	0	40	0.0	-45.41	339.62	7.27	-38.14
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=C(F)C=C1Br	REAL300012025582	0	41	0.0	-51.96	350.87	9.22	-42.74
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(O)C=CC=C1Br	REAL300012025583	0	39	0.0	-37.51	332.54	5.62	-31.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CN(C)N=C2)=N1	REAL300012025584	0	44	0.0	-57.46	378.16	6.51	-50.95
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(OC)=C1	REAL300012025585	0	42	0.0	-61.47	354.18	7.77	-53.70
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1CC1CCC1	REAL300012025586	0	48	0.0	-40.49	368.51	8.25	-32.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012025587	0	44	0.0	-54.71	364.47	7.82	-46.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012025588	0	44	0.0	-57.41	358.18	9.50	-47.91
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1Br	REAL300012025589	0	38	0.0	-55.60	332.56	6.22	-49.38
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(NC(C)=O)=C1	REAL300012025590	0	45	0.0	-64.53	364.92	6.82	-57.71
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C2C(=C1)C=NN2C	REAL300012025591	0	43	0.0	-46.88	349.12	7.05	-39.83
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(Br)C=C1F	REAL300012025592	0	37	0.0	-53.07	330.30	6.73	-46.34
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OC)C=C1Cl	REAL300012025593	0	46	0.0	-42.93	375.31	7.61	-35.32
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012025594	0	44	0.0	-42.95	365.79	9.70	-33.25
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(CNC(=O)OC(C)(C)C)=C1	REAL300012025595	0	58	0.0	-61.49	456.54	8.37	-53.12
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C2CCCCC2=NN1C	REAL300012025596	0	48	0.0	-59.00	372.86	7.93	-51.07
CCOC(=O)C1=C(C)C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C(C)N1	REAL300012025597	0	51	0.0	-47.90	402.69	8.23	-39.67
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012025598	0	37	0.0	-47.30	322.40	6.61	-40.69
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012025599	0	48	0.0	-41.66	397.90	11.88	-29.78
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012025600	0	38	0.0	-51.19	336.28	8.64	-42.55
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Br)SC=C1	REAL300012025601	0	35	0.0	-49.93	316.58	7.58	-42.35
CCOC1=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C(F)C=C1OC	REAL300012025602	0	49	0.0	-45.77	389.93	8.09	-37.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CN=C1OC	REAL300012025603	0	41	0.0	-55.58	355.84	5.29	-50.29
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012025604	0	44	0.0	-59.42	355.15	10.10	-49.32
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CN=C1Br	REAL300012025605	0	37	0.0	-44.45	315.02	6.65	-37.80
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(Br)C=C1F	REAL300012025606	0	42	0.0	-46.63	359.26	7.92	-38.71
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012025607	0	38	0.0	-33.82	334.49	8.83	-24.99
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012025608	0	42	0.0	-59.68	359.73	7.86	-51.82
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1OC(C)C	REAL300012025609	0	48	0.0	-37.49	378.90	8.92	-28.57
CCOC1=CC(F)=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025610	0	45	0.0	-59.14	366.81	8.22	-50.92
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012025611	0	52	0.0	-69.15	404.85	8.94	-60.21
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012025612	0	42	0.0	-57.94	353.47	7.53	-50.41
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC(C)(C)C)=C1	REAL300012025613	0	51	0.0	-56.90	389.24	9.09	-47.81
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Cl)=C1C	REAL300012025614	0	41	0.0	-56.87	337.88	8.99	-47.88
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(C)C=C1F	REAL300012025615	0	45	0.0	-43.97	358.94	8.00	-35.97
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C(Br)=C1C	REAL300012025616	0	44	0.0	-56.34	359.70	9.64	-46.70
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=CC(C)=C1Br	REAL300012025617	0	40	0.0	-36.42	334.03	7.09	-29.33
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)C=C1	REAL300012025618	0	55	0.0	-42.52	426.70	8.18	-34.34
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC(F)=CC=C1F	REAL300012025619	0	48	0.0	-38.50	397.86	9.26	-29.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC(C(C)(C)C)=CS1	REAL300012025620	0	46	0.0	-36.40	370.43	7.63	-28.77
COCCC1=NC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])S1	REAL300012025621	0	44	0.0	-42.74	366.71	5.69	-37.05
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012025624	1	39	0.0	-59.41	331.01	5.27	-54.14
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C2CSCCC2=NN1C	REAL300012025625	0	46	0.0	-60.19	373.08	7.60	-52.59
CCN1C=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012025626	0	51	0.0	-43.22	402.24	10.33	-32.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012025627	0	46	0.0	-55.84	355.54	7.89	-47.95
COCC1=C(C)C=C(C)C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1C	REAL300012025628	0	54	0.0	-38.41	402.00	8.97	-29.44
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012025629	0	40	0.0	-54.28	332.61	8.45	-45.83
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C(C)S1	REAL300012025630	0	38	0.0	-55.65	340.20	8.38	-47.27
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012025631	0	48	0.0	-43.45	395.80	11.84	-31.61
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012025632	0	43	0.0	-60.29	344.72	8.17	-52.12
CCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1C	REAL300012025633	0	51	0.0	-41.36	397.78	9.68	-31.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012025634	0	42	0.0	-49.30	340.90	6.33	-42.97
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(CN2C=CC=N2)=C1	REAL300012025635	0	52	0.0	-46.68	417.07	8.89	-37.79
CCOC1=CC=CC(F)=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025636	0	45	0.0	-49.83	363.99	8.24	-41.59
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=CC(Br)=C1F	REAL300012025637	0	41	0.0	-54.02	351.56	9.07	-44.95
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC([N+](=O)[O-])=C1C	REAL300012025638	0	43	0.0	-66.66	346.65	9.06	-57.60
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=CC([N+](=O)[O-])=C1C	REAL300012025639	0	46	0.0	-62.31	367.04	9.63	-52.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=C(OC)C=C2)N=N1	REAL300012025640	0	51	0.0	-56.87	412.52	7.55	-49.32
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OC)=C1F	REAL300012025641	0	46	0.0	-38.28	372.90	7.24	-31.04
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)OC)C=C1F	REAL300012025642	0	44	0.0	-63.55	369.00	8.62	-54.93
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012025643	0	48	0.0	-40.42	391.16	8.34	-32.08
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012025644	0	52	0.0	-59.35	419.92	11.19	-48.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012025645	0	45	0.0	-56.27	371.75	8.52	-47.75
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=N1	REAL300012025646	0	37	0.0	-46.09	316.57	6.57	-39.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C2=CC=CC=C2C)N=C1C	REAL300012025647	0	54	0.0	-40.79	418.66	10.87	-29.92
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=C(C#N)C=C1C	REAL300012025648	0	45	0.0	-61.25	362.73	9.36	-51.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CCF)N=C1	REAL300012025649	0	41	0.0	-60.83	339.98	6.74	-54.09
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC(C(C)(C)C)=CO1	REAL300012025650	1	46	0.0	-56.12	366.19	5.29	-50.83
CCCC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025651	0	47	0.0	-55.27	373.04	10.14	-45.13
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012025652	0	44	0.0	-45.59	386.38	9.23	-36.36
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=C(OC)C=C2)=N1	REAL300012025653	0	48	0.0	-45.92	399.09	8.02	-37.90
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C)NN=C2N=C1	REAL300012025655	0	43	0.0	-68.87	351.71	6.44	-62.43
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1	REAL300012025656	0	46	0.0	-65.56	385.60	4.54	-61.02
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NN(C)C2=CC=CC=C21	REAL300012025657	0	44	0.0	-44.51	354.80	7.83	-36.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012025658	0	41	0.0	-62.81	335.54	6.54	-56.27
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NNC2=CC=CC=C21	REAL300012025658	1	41	0.0	-38.27	331.90	6.55	-31.72
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N=C(Cl)N1C	REAL300012025659	0	38	0.0	-57.98	342.10	7.22	-50.76
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012025660	0	43	0.0	-36.46	342.59	8.21	-28.25
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N=C2C=CC=CN21	REAL300012025661	0	44	0.0	-46.83	351.64	8.89	-37.94
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC(C)(C)CN(C)CC1=CC=CC=C1	REAL300012025662	1	58	0.0	-39.51	426.02	10.24	-29.27
CCC1=NC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])S1	REAL300012025663	0	40	0.0	-41.80	333.33	6.63	-35.17
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C=CS1	REAL300012025664	0	39	0.0	-51.39	328.76	6.34	-45.05
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012025665	0	44	0.0	-44.22	361.04	6.14	-38.08
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC=C1Cl	REAL300012025666	0	35	0.0	-54.09	313.72	7.34	-46.75
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N=C2SC(C)=NN21	REAL300012025667	0	43	0.0	-58.12	363.00	7.10	-51.02
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C(C)C)N=C2SC(C)=NN21	REAL300012025668	0	49	0.0	-57.26	404.97	8.39	-48.87
CCCC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C1=CC=CC=C1	REAL300012025669	0	50	0.0	-35.83	381.81	10.53	-25.30
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012025670	0	43	0.0	-37.11	357.45	8.79	-28.32
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012025671	0	38	0.0	-46.46	336.01	8.23	-38.23
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N(C)C)C=C1C(F)(F)F	REAL300012025672	0	49	0.0	-54.30	387.63	9.26	-45.04
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC(C)=CC1=CC=CC=C1C(F)(F)F	REAL300012025673	0	48	0.0	-39.72	386.27	10.55	-29.17
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C2=CC=CC=N2)N=C1C	REAL300012025674	0	47	0.0	-46.54	394.04	9.48	-37.06
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012025675	0	57	0.0	-42.51	441.91	11.42	-31.09
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1CCC(C(C)C)CC1	REAL300012025676	0	53	0.0	-55.85	378.36	9.72	-46.13
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012025677	0	41	0.0	-58.75	368.55	9.26	-49.49
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012025678	0	41	0.0	-50.46	353.10	9.04	-41.42
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC(C)=CC1=CC=CC=C1OC(F)F	REAL300012025679	0	49	0.0	-42.48	390.73	9.33	-33.15
COCC1=CC=CC=C1C=C(C)C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025680	0	52	0.0	-42.06	403.07	9.54	-32.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C1=CC=NN1C	REAL300012025681	0	48	0.0	-33.01	372.15	8.45	-24.56
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012025682	0	47	0.0	-41.46	374.23	9.55	-31.91
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C)N=C1	REAL300012025683	0	38	0.0	-55.73	327.28	6.05	-49.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012025684	0	40	0.0	-60.85	331.30	5.40	-55.45
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(OC)C=C2)N=C1	REAL300012025685	0	49	0.0	-44.08	393.18	8.42	-35.66
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N(C)CC2=CC=CS2)C=C1	REAL300012025686	0	53	0.0	-56.88	428.63	11.29	-45.59
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012025687	0	40	0.0	-61.04	348.06	5.90	-55.14
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012025688	0	45	0.0	-40.93	354.32	10.03	-30.90
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NC=C1Br	REAL300012025689	0	37	0.0	-34.66	312.71	6.57	-28.09
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(S(C)(=O)=O)S1	REAL300012025690	0	41	0.0	-52.66	357.95	4.60	-48.06
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012025691	0	58	0.0	-54.39	449.97	12.09	-42.30
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012025692	0	44	0.0	-38.67	355.20	8.54	-30.13
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1F	REAL300012025693	0	43	0.0	-66.08	368.40	2.92	-63.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=CC(Br)=C1C	REAL300012025695	0	40	0.0	-58.44	337.06	7.28	-51.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C(F)(F)F)C=NN1C	REAL300012025696	0	41	0.0	-55.93	346.44	6.51	-49.42
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C2CC2)C=NN1C	REAL300012025697	0	45	0.0	-57.76	359.36	7.56	-50.20
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C2CCC2)C=NN1C	REAL300012025698	0	48	0.0	-42.17	371.48	8.04	-34.13
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C)C=CC=C2N1	REAL300012025699	0	45	0.0	-59.46	361.88	8.52	-50.94
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012025700	0	44	0.0	-45.26	355.93	7.08	-38.18
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=C(C)C=C2N1	REAL300012025701	0	45	0.0	-42.28	358.11	8.51	-33.77
CCOC1=CN=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025702	0	44	0.0	-59.87	355.33	6.33	-53.54
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NC=C1Cl	REAL300012025703	0	37	0.0	-35.46	310.24	6.50	-28.96
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012025704	0	49	0.0	-61.87	384.30	6.54	-55.33
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=NNC=C21	REAL300012025705	0	41	0.0	-63.06	334.77	6.62	-56.44
CCC(F)(F)C(C)(C)C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025706	0	46	0.0	-58.27	348.59	8.32	-49.95
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012025707	0	42	0.0	-58.35	340.41	7.96	-50.39
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012025708	0	41	0.0	-49.92	337.75	5.40	-44.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012025709	0	40	0.0	-48.17	332.82	7.04	-41.13
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C#N)=CC=C1N(C)C	REAL300012025710	0	47	0.0	-41.69	376.15	8.32	-33.37
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012025711	0	48	0.0	-56.28	377.07	5.37	-50.91
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=CC(OC)=C1C	REAL300012025712	0	44	0.0	-57.70	347.11	6.09	-51.61
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC=CC1=C(C)C=C(C)C=C1C	REAL300012025713	0	51	0.0	-42.00	397.24	11.11	-30.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012025714	0	58	0.0	-60.58	448.92	6.79	-53.79
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC(CC(F)F)NC(=O)OC(C)(C)C	REAL300012025715	0	54	0.0	-49.19	415.10	6.75	-42.44
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012025716	0	48	0.0	-53.84	380.15	5.51	-48.33
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1N(C)C	REAL300012025717	0	46	0.0	-37.20	361.94	7.97	-29.23
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012025718	0	43	0.0	-67.96	356.06	8.36	-59.60
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC=CC1=CC(C)=C(C)C=C1C	REAL300012025719	0	51	0.0	-40.92	391.74	10.94	-29.98
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1	REAL300012025720	0	43	0.0	-67.08	362.88	2.88	-64.20
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012025721	0	47	0.0	-53.44	361.00	8.45	-44.99
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C(C)=NN1C	REAL300012025722	0	41	0.0	-45.21	342.55	6.50	-38.71
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=NN(C)C=C2)=N1	REAL300012025723	0	44	0.0	-54.09	374.47	6.38	-47.71
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1CCCC1	REAL300012025724	0	51	0.0	-40.53	390.75	8.75	-31.78
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C)=C1Br	REAL300012025725	0	41	0.0	-32.33	335.55	8.93	-23.40
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012025726	0	49	0.0	-60.26	404.62	10.86	-49.40
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012025727	0	46	0.0	-43.11	358.51	8.55	-34.56
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(=O)N(C)C)=C1	REAL300012025728	0	48	0.0	-63.84	380.17	7.75	-56.09
CCC1=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C(Cl)=NN1	REAL300012025729	0	41	0.0	-33.81	336.68	6.07	-27.74
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012025730	0	42	0.0	-34.93	351.51	6.87	-28.06
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=NC2=C1CCCC2	REAL300012025731	0	50	0.0	-58.41	381.29	9.11	-49.30
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012025732	0	53	0.0	-51.61	402.92	9.95	-41.66
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012025733	1	37	0.0	-50.26	330.46	6.03	-44.23
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012025734	0	41	0.0	-62.22	347.85	8.88	-53.34
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)OC)C(C)=C1	REAL300012025735	0	47	0.0	-63.85	379.70	9.12	-54.73
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C=C1C	REAL300012025736	0	45	0.0	-56.61	353.27	7.86	-48.75
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(C)=C1Cl	REAL300012025737	0	41	0.0	-33.96	347.36	9.29	-24.67
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C#N)=CC=C1Br	REAL300012025738	0	39	0.0	-42.61	341.00	8.89	-33.72
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OC(C)CC2=C1	REAL300012025739	0	46	0.0	-42.65	361.82	8.53	-34.12
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012025740	0	41	0.0	-64.89	340.41	5.42	-59.47
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OCC2	REAL300012025741	0	43	0.0	-53.43	344.40	7.75	-45.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CSC)C=C1	REAL300012025742	0	45	0.0	-57.67	374.77	9.81	-47.86
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012025743	0	48	0.0	-40.56	377.10	8.66	-31.90
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C2COCCC2=NN1C	REAL300012025744	0	46	0.0	-45.00	358.07	5.46	-39.54
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C2CCCC2=NN1C	REAL300012025745	0	45	0.0	-43.13	349.67	7.33	-35.80
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1CCC1	REAL300012025746	0	45	0.0	-59.07	357.42	7.70	-51.37
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012025747	0	45	0.0	-58.16	356.81	7.71	-50.45
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC(C)C(=O)OC	REAL300012025748	0	51	0.0	-56.74	411.90	9.51	-47.23
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC(=O)OC	REAL300012025749	0	48	0.0	-58.22	393.24	8.86	-49.36
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=CC=C1C	REAL300012025750	0	45	0.0	-41.45	345.37	7.70	-33.75
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C2C(=CC=C1)N=CN2C	REAL300012025751	0	44	0.0	-41.64	337.22	8.81	-32.83
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)N(C)C)C=C1	REAL300012025752	0	48	0.0	-46.05	373.91	7.64	-38.41
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C(C)=C1C	REAL300012025753	0	47	0.0	-37.65	350.64	9.47	-28.18
CCNC(=O)C1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025754	0	48	0.0	-46.02	382.77	7.05	-38.97
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(C)(C)C	REAL300012025755	0	50	0.0	-38.77	366.41	9.89	-28.88
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C2CCCCCN12	REAL300012025756	0	48	0.0	-38.72	360.82	8.32	-30.40
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(OC)=CC=C2S1	REAL300012025757	0	45	0.0	-57.49	375.58	8.75	-48.74
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025758	0	54	0.0	-66.37	420.63	9.63	-56.74
CCN1CCC2=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC=C21	REAL300012025759	0	50	0.0	-41.35	377.25	8.05	-33.30
CCN(C)C(=O)C1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025760	0	51	0.0	-46.21	397.39	8.79	-37.42
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C(C)C)N=C1	REAL300012025761	0	47	0.0	-44.78	367.78	7.68	-37.10
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC)C(Cl)=C1	REAL300012025762	0	42	0.0	-60.06	363.87	9.39	-50.67
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CC2)C(C)=C1	REAL300012025763	0	48	0.0	-40.51	371.89	10.53	-29.98
CCOC1=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC=N1	REAL300012025764	0	44	0.0	-61.02	357.59	5.56	-55.46
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C(C2CC2)=C1	REAL300012025765	0	48	0.0	-39.55	371.84	10.54	-29.01
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CC(C)=N2)C=C1C	REAL300012025766	0	51	0.0	-62.79	404.09	10.33	-52.46
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012025767	0	44	0.0	-43.93	376.01	9.80	-34.13
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=C(Cl)C=N2)C=C1C	REAL300012025768	0	48	0.0	-62.03	399.30	10.25	-51.78
CCC1=CC(Br)=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])S1	REAL300012025769	0	41	0.0	-51.38	361.69	9.15	-42.23
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=C(Cl)C(C)=N2)C=C1	REAL300012025770	0	48	0.0	-64.08	405.56	10.20	-53.88
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C=C(C(=O)OC)N2)O1	REAL300012025771	0	45	0.0	-51.67	373.45	6.70	-44.97
COCCOC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])O1	REAL300012025772	0	46	0.0	-58.87	377.89	6.68	-52.19
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC(C)(C)C1=CC=C(Br)C=C1	REAL300012025773	0	47	0.0	-41.67	374.20	10.24	-31.43
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C(C)C)N=C1C	REAL300012025774	0	50	0.0	-56.60	391.93	8.24	-48.36
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NN(CCF)C=C1	REAL300012025775	0	41	0.0	-45.55	335.85	6.62	-38.93
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012025776	0	38	0.0	-59.89	347.07	9.05	-50.84
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C1=CC=C(C)C=C1C	REAL300012025777	0	54	0.0	-51.71	421.89	12.59	-39.12
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1CC1	REAL300012025778	0	45	0.0	-40.56	356.68	7.81	-32.75
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC(C2=CC=CC(OC)=C2)=CS1	REAL300012025779	0	48	0.0	-58.74	401.61	7.99	-50.75
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1	REAL300012025780	0	58	0.0	-61.43	456.55	8.38	-53.05
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(=O)OC)=C2COCCN12	REAL300012025781	0	50	0.0	-42.97	398.23	7.28	-35.69
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012025782	0	55	0.0	-45.88	419.43	9.88	-36.00
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2CC2)=NN1C	REAL300012025783	0	45	0.0	-60.19	360.98	7.56	-52.63
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CN=C2)C=C1C	REAL300012025784	0	48	0.0	-62.77	379.73	10.92	-51.85
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012025785	0	42	0.0	-57.66	364.76	6.84	-50.82
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012025786	0	48	0.0	-45.18	377.13	4.36	-40.82
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NC(OC)=C1F	REAL300012025787	0	41	0.0	-61.30	341.32	4.67	-56.63
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012025788	0	38	0.0	-48.44	341.17	8.85	-39.59
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012025789	0	38	0.0	-50.68	335.68	8.62	-42.06
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN2C=CN=C2S1	REAL300012025790	0	38	0.0	-52.49	322.50	7.88	-44.61
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)OC(C(C)(C)C)=C1	REAL300012025791	0	50	0.0	-54.58	391.35	9.46	-45.12
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC(C)=C(C)S1	REAL300012025792	0	40	0.0	-54.40	334.13	6.37	-48.03
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012025793	0	47	0.0	-54.44	383.01	8.26	-46.18
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1	REAL300012025794	0	58	0.0	-66.00	432.58	8.94	-57.06
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(Br)C=C1C	REAL300012025795	0	40	0.0	-56.22	342.03	7.22	-49.00
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012025796	0	44	0.0	-64.71	382.53	5.84	-58.87
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OC(C)C(C)C2=C1	REAL300012025797	0	49	0.0	-43.36	378.20	9.02	-34.34
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C(OC(F)F)=C1	REAL300012025798	0	45	0.0	-57.56	367.98	8.25	-49.31
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C(C)N=C1Cl	REAL300012025799	0	40	0.0	-53.29	355.33	7.67	-45.62
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1CC(C)C	REAL300012025800	0	50	0.0	-53.43	381.37	10.46	-42.97
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(S(C)(=O)=O)N(C)N=C1	REAL300012025801	1	44	0.0	-64.95	361.31	3.26	-61.69
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C(C(F)(F)F)=NN1	REAL300012025802	0	41	0.0	-45.98	340.34	5.78	-40.20
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC(C)C)N=N1	REAL300012025803	0	46	0.0	-58.54	368.16	6.78	-51.76
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC(C2CC2)=CS1	REAL300012025804	0	41	0.0	-36.75	340.70	7.15	-29.60
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012025805	0	38	0.0	-65.11	329.71	5.26	-59.85
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2CCOC2=C1	REAL300012025806	0	43	0.0	-58.82	344.90	7.77	-51.05
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NN(C)C=C1Cl	REAL300012025807	1	38	0.0	-39.59	324.25	6.12	-33.47
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(S(C)(=O)=O)SC=C1	REAL300012025808	1	41	0.0	-57.94	351.37	4.95	-52.99
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(SC)=C1	REAL300012025809	0	42	0.0	-57.33	348.86	8.93	-48.40
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C(C)C)C=NN1C	REAL300012025810	0	47	0.0	-41.82	366.14	7.38	-34.44
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)SC(C)=C1Br	REAL300012025811	0	41	0.0	-39.69	350.98	8.79	-30.90
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC=CC(F)=C1	REAL300012025812	0	48	0.0	-53.65	387.42	9.09	-44.56
CCCN1C=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C(C)=N1	REAL300012025813	0	47	0.0	-58.72	374.08	7.93	-50.79
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012025814	0	40	0.0	-60.73	331.28	6.65	-54.08
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012025815	0	45	0.0	-41.63	370.35	10.17	-31.46
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012025816	0	46	0.0	-43.43	365.10	8.92	-34.51
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012025817	0	42	0.0	-58.11	360.21	7.75	-50.36
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012025818	0	44	0.0	-60.96	379.85	9.80	-51.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CN=C2C)C=C1C	REAL300012025819	0	51	0.0	-63.59	403.57	11.02	-52.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=NC(C)=C2C)C=C1	REAL300012025820	0	51	0.0	-65.55	409.49	11.66	-53.89
CNC(=O)C1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025821	0	45	0.0	-64.05	365.12	6.19	-57.86
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012025822	0	52	0.0	-40.59	399.77	11.95	-28.64
CCNC(=O)C1=CC=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025824	0	48	0.0	-63.56	386.61	7.04	-56.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C2=CC(F)=CC=C2O1	REAL300012025825	0	44	0.0	-57.86	362.48	9.13	-48.73
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012025826	0	45	0.0	-59.94	355.76	6.83	-53.11
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=C2)=NN1C	REAL300012025827	0	48	0.0	-44.80	385.20	9.04	-35.76
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=CC(C(C)(C)C)=C1	REAL300012025828	0	49	0.0	-59.33	380.44	8.43	-50.90
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012025829	0	41	0.0	-49.70	347.14	6.98	-42.72
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012025830	0	48	0.0	-54.17	378.67	9.90	-44.27
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC2=C(CCCC2)N1C	REAL300012025831	0	48	0.0	-55.07	372.23	8.62	-46.45
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)N=C1OC	REAL300012025832	0	41	0.0	-37.14	347.45	5.11	-32.03
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C(F)(F)F	REAL300012025833	0	41	0.0	-60.95	345.74	6.71	-54.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012025834	0	41	0.0	-58.73	344.49	8.80	-49.93
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1COCC2	REAL300012025835	0	46	0.0	-39.22	348.60	7.82	-31.40
CCOC1=CC=C(Cl)C=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025836	0	45	0.0	-53.26	375.46	8.71	-44.55
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC2=C(COCC2)S1	REAL300012025837	0	42	0.0	-56.63	348.45	5.27	-51.36
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012025838	0	45	0.0	-54.21	364.44	7.79	-46.42
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012025839	0	45	0.0	-43.00	349.43	8.74	-34.26
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012025840	0	40	0.0	-68.44	343.67	8.67	-59.77
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012025841	0	51	0.0	-44.75	389.51	8.96	-35.79
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012025842	0	45	0.0	-39.07	378.68	9.39	-29.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012025843	0	38	0.0	-53.08	340.57	8.60	-44.48
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N(C)CCO)N=C1	REAL300012025844	0	49	0.0	-44.47	384.38	5.49	-38.98
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(C)(C)C)=C1OC	REAL300012025845	0	54	0.0	-53.18	402.91	9.69	-43.49
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC(Br)=CN1C	REAL300012025846	0	38	0.0	-36.67	326.22	6.76	-29.91
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(OC)C=C1C	REAL300012025847	0	44	0.0	-59.00	351.26	5.25	-53.75
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(O)=C(OC)C=C1C	REAL300012025848	0	46	0.0	-44.92	357.77	5.51	-39.41
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012025849	0	44	0.0	-58.63	361.86	7.04	-51.59
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2N(C)C1=O	REAL300012025850	0	47	0.0	-56.06	375.13	8.70	-47.36
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C(OC)=N1	REAL300012025851	0	44	0.0	-45.96	352.16	5.29	-40.67
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=C(C)C(Br)=C1C	REAL300012025852	0	47	0.0	-55.32	377.99	10.09	-45.23
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012025853	0	45	0.0	-66.06	366.15	7.90	-58.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012025854	0	51	0.0	-55.20	399.72	11.44	-43.76
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)C(F)(F)OC)C=C1	REAL300012025855	0	48	0.0	-62.22	404.84	8.69	-53.53
CCC1=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=NN1CC	REAL300012025856	0	47	0.0	-42.61	358.88	7.66	-34.95
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012025857	0	38	0.0	-53.90	335.44	8.47	-45.43
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(NC(=O)OC(C)(C)C)=C1	REAL300012025858	0	55	0.0	-62.32	430.64	8.17	-54.15
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012025859	0	42	0.0	-44.85	349.36	7.48	-37.37
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)SC=C1	REAL300012025860	0	39	0.0	-35.76	326.39	6.33	-29.43
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)OC=C1C(F)(F)F	REAL300012025861	0	41	0.0	-45.36	341.74	7.62	-37.74
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(C)(F)F)=C1	REAL300012025862	0	44	0.0	-58.81	361.86	9.44	-49.37
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012025863	0	44	0.0	-42.74	367.74	8.70	-34.04
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CN(C)N=C1	REAL300012025864	0	45	0.0	-37.81	357.23	5.52	-32.29
CCCN1N=C(C)C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1Cl	REAL300012025865	0	47	0.0	-36.20	386.26	8.19	-28.01
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(C)(C)C#N)S1	REAL300012025866	0	44	0.0	-59.33	375.70	7.26	-52.07
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C=CC(Br)=C1F	REAL300012025867	0	42	0.0	-53.37	362.70	7.92	-45.45
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=C(C#N)C=C1Br	REAL300012025868	0	39	0.0	-56.37	352.85	8.83	-47.54
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012025869	0	38	0.0	-59.80	326.92	8.09	-51.71
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012025870	0	45	0.0	-58.03	374.22	10.35	-47.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(C)(C)C)=NN1	REAL300012025871	0	47	0.0	-59.56	370.63	6.76	-52.80
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012025872	0	44	0.0	-58.11	366.29	10.57	-47.54
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012025873	0	38	0.0	-49.56	344.81	9.04	-40.52
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012025874	0	55	0.0	-52.58	418.65	10.77	-41.81
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012025875	0	49	0.0	-61.18	414.74	11.30	-49.88
C=CCC1=CC=CC=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025876	0	45	0.0	-54.39	356.08	9.80	-44.59
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012025877	0	58	0.0	-54.86	438.85	11.44	-43.42
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CC(OC)=C2)C=C1	REAL300012025878	0	53	0.0	-64.55	427.52	10.08	-54.47
CCN1CCCC2=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=CC=C21	REAL300012025879	0	53	0.0	-40.68	393.73	9.05	-31.63
COCC1=CN=C(OC)C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1	REAL300012025880	0	48	0.0	-54.27	388.51	4.45	-49.82
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Br)N(C)N=C1	REAL300012025881	0	38	0.0	-55.02	331.41	6.14	-48.88
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CC=C2OC)C=C1	REAL300012025882	0	53	0.0	-46.74	423.28	10.72	-36.02
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(Br)=C1OC	REAL300012025883	0	42	0.0	-51.59	364.18	8.00	-43.59
COCC1=CC=CC=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025884	0	45	0.0	-38.81	348.24	7.65	-31.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012025885	0	51	0.0	-42.43	410.12	12.78	-29.65
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012025886	0	42	0.0	-60.43	365.05	9.38	-51.05
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012025887	0	51	0.0	-44.65	398.01	8.59	-36.06
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012025888	0	46	0.0	-42.41	358.51	8.01	-34.40
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C2=CC=C(F)C=C2S1	REAL300012025889	0	44	0.0	-56.77	369.48	10.07	-46.70
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012025890	0	44	0.0	-46.98	359.48	6.07	-40.91
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(OC)=C1OC	REAL300012025891	0	46	0.0	-51.01	372.95	7.23	-43.78
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=NN(C)C=C1	REAL300012025892	0	45	0.0	-55.99	368.83	5.99	-50.00
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(C)=C1Br	REAL300012025893	0	41	0.0	-48.94	350.24	9.02	-39.92
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012025894	0	61	0.0	-52.39	460.94	12.20	-40.19
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012025895	0	52	0.0	-39.26	404.45	10.26	-29.00
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(C)(F)F	REAL300012025896	0	44	0.0	-51.93	348.81	9.32	-42.61
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCCO)C(OC)=C1	REAL300012025897	0	50	0.0	-63.42	400.62	4.96	-58.46
CCN1C=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C(C2CC2)=N1	REAL300012025898	0	48	0.0	-40.10	378.26	8.67	-31.43
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OCCO)=C1	REAL300012025899	0	50	0.0	-64.14	400.62	4.96	-59.18
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC=NN1C	REAL300012025900	0	48	0.0	-37.01	389.95	6.83	-30.18
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CON=C1C(C)(C)C	REAL300012025901	0	46	0.0	-43.62	351.68	7.49	-36.13
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012025902	0	43	0.0	-45.65	345.80	8.40	-37.25
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2CCCO2)C(OC)=C1	REAL300012025903	0	57	0.0	-64.39	446.33	8.55	-55.84
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C2OC(C)=CC2=CC=C1	REAL300012025904	0	44	0.0	-36.32	354.09	9.06	-27.26
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012025905	0	41	0.0	-60.61	341.06	8.90	-51.71
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012025906	0	45	0.0	-54.67	383.56	8.71	-45.96
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C(OC)=CS1	REAL300012025907	0	43	0.0	-55.35	357.84	6.08	-49.27
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CON=C1C1CCC1	REAL300012025908	0	44	0.0	-61.55	353.75	8.01	-53.54
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012025909	0	47	0.0	-46.34	401.51	9.68	-36.66
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012025910	0	41	0.0	-50.18	352.76	7.06	-43.12
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(S(C)(=O)=O)C=CS1	REAL300012025911	1	41	0.0	-64.00	348.22	4.60	-59.40
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(S(C)(=O)=O)=CO1	REAL300012025912	0	41	0.0	-64.86	352.46	3.52	-61.34
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012025913	0	41	0.0	-60.21	352.95	8.96	-51.25
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(C)C)C(F)=C1	REAL300012025914	0	48	0.0	-61.35	384.16	8.85	-52.50
CCN1C=C(Cl)C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=N1	REAL300012025915	1	41	0.0	-52.34	349.62	7.00	-45.34
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012025916	0	38	0.0	-50.68	331.43	8.52	-42.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012025917	0	41	0.0	-58.56	340.83	8.78	-49.78
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012025918	0	44	0.0	-56.46	359.32	10.18	-46.28
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(S(C)(=O)=O)=CS1	REAL300012025919	0	41	0.0	-63.08	360.88	4.52	-58.56
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CSC(Cl)=C1	REAL300012025920	0	35	0.0	-43.41	311.83	7.48	-35.93
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C2CCC2)N=C1	REAL300012025921	0	48	0.0	-57.31	376.72	8.40	-48.91
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012025922	0	45	0.0	-45.21	380.41	9.64	-35.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=NN1C1CCCC1	REAL300012025923	0	51	0.0	-39.96	392.93	9.00	-30.96
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1CC(F)F	REAL300012025924	0	41	0.0	-52.75	335.26	6.68	-46.07
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC([N+](=O)[O-])=CC=C1N(C)C	REAL300012025925	0	48	0.0	-44.38	383.76	8.57	-35.81
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012025926	0	41	0.0	-59.38	348.70	9.26	-50.12
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012025927	0	38	0.0	-52.15	347.39	8.92	-43.23
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012025928	1	37	0.0	-40.00	319.35	6.52	-33.48
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012025929	0	45	0.0	-45.56	370.10	9.19	-36.37
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=NC=C1N(C)C	REAL300012025930	0	45	0.0	-35.45	358.66	6.02	-29.43
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N=C(OC)C(Cl)=C1C	REAL300012025931	0	47	0.0	-41.70	375.42	6.02	-35.68
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NN(C2=CC=CC=C2)N=C1C	REAL300012025932	1	47	0.0	-57.43	384.74	8.29	-49.14
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012025933	0	45	0.0	-44.35	353.08	7.59	-36.76
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012025934	0	41	0.0	-49.29	341.11	6.81	-42.48
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012025935	0	42	0.0	-57.50	354.95	7.37	-50.13
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCCCC2)N=C1C	REAL300012025936	0	54	0.0	-57.80	412.92	9.55	-48.25
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012025937	0	49	0.0	-45.12	380.27	6.55	-38.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCOCC2)N=C1C	REAL300012025938	0	52	0.0	-41.02	397.02	7.06	-33.96
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012025939	0	43	0.0	-53.07	369.82	9.04	-44.03
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012025940	0	48	0.0	-43.88	370.65	8.27	-35.61
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(S(N)(=O)=O)=CS1	REAL300012025941	0	40	0.0	-63.63	354.46	1.92	-61.71
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012025942	0	37	0.0	-51.38	334.50	7.01	-44.37
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012025943	0	53	0.0	-47.07	409.65	7.41	-39.66
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCCC2)N=C1C	REAL300012025944	0	51	0.0	-57.92	393.96	8.95	-48.97
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(F)F	REAL300012025945	0	41	0.0	-51.88	331.81	8.79	-43.09
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=CC(Br)=C1F	REAL300012025946	0	41	0.0	-54.31	355.14	9.24	-45.07
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012025947	0	38	0.0	-49.47	344.97	9.03	-40.44
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC)=C1Br	REAL300012025948	0	42	0.0	-33.26	345.96	7.70	-25.56
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012025949	0	41	0.0	-45.04	331.11	6.62	-38.42
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012025950	0	38	0.0	-51.34	331.86	8.54	-42.80
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CN(C)N=C2)=C1	REAL300012025951	0	48	0.0	-44.08	384.98	9.20	-34.88
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C(OC)C=C1F	REAL300012025952	0	42	0.0	-39.25	360.33	7.89	-31.36
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012025953	0	48	0.0	-73.53	395.41	10.34	-63.19
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC=C1C	REAL300012025954	0	41	0.0	-40.99	337.18	9.02	-31.97
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C#N)=C1OC	REAL300012025955	0	43	0.0	-63.08	358.46	7.73	-55.35
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2N=C(OC)SC2=C1	REAL300012025956	0	44	0.0	-47.00	369.26	5.73	-41.27
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=NC(Br)=C1	REAL300012025957	0	37	0.0	-63.51	324.99	6.65	-56.86
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012025958	0	38	0.0	-56.68	342.94	8.90	-47.78
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)N=C1C	REAL300012025959	0	40	0.0	-61.94	336.15	7.09	-54.85
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC(C)(C)C)=C1	REAL300012025960	0	54	0.0	-56.35	420.44	10.26	-46.09
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012025961	0	38	0.0	-57.84	351.70	9.07	-48.77
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC(OC)=C1	REAL300012025962	0	42	0.0	-42.51	351.09	7.72	-34.79
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012025963	0	41	0.0	-37.00	353.43	9.17	-27.83
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=C(F)C(OC)=C1	REAL300012025964	0	42	0.0	-67.94	351.07	7.36	-60.58
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C)C=C1OC	REAL300012025965	0	44	0.0	-39.02	350.10	6.12	-32.90
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=NN1C	REAL300012025966	0	45	0.0	-38.99	367.05	5.41	-33.58
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)ON=C1C1CC1	REAL300012025967	0	44	0.0	-58.78	357.91	8.32	-50.46
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C(C(=O)OC)=C(C)N1	REAL300012025968	0	48	0.0	-63.11	392.33	7.62	-55.49
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(C)C)O1	REAL300012025969	0	45	0.0	-43.63	360.77	8.13	-35.50
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=C(Br)C=C1C	REAL300012025970	0	44	0.0	-55.74	363.27	9.58	-46.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012025971	0	39	0.0	-57.65	342.11	5.66	-51.99
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012025972	0	41	0.0	-51.07	348.73	6.99	-44.08
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(C#N)=C1	REAL300012025973	0	39	0.0	-67.47	336.26	8.39	-59.08
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012025974	0	54	0.0	-39.97	406.65	11.73	-28.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC=CC1=CC=CC=C1OC	REAL300012025975	0	46	0.0	-40.24	364.23	8.57	-31.67
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=C(Br)S1	REAL300012025976	0	38	0.0	-54.73	338.92	8.34	-46.39
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCC2)N=C1C	REAL300012025977	0	48	0.0	-40.17	369.77	8.20	-31.97
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(CC(F)F)N=C1	REAL300012025978	0	44	0.0	-43.89	356.01	7.23	-36.66
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012025979	0	46	0.0	-46.00	374.00	8.26	-37.74
CCCN1N=C(C)C(Cl)=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012025980	0	47	0.0	-43.50	385.89	8.12	-35.38
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC2=CC(Cl)=CC=C2N1C(C)C	REAL300012025981	0	50	0.0	-36.34	403.15	10.00	-26.34
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CO2)=NN1C	REAL300012025982	0	45	0.0	-63.70	371.95	7.17	-56.53
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012025983	0	51	0.0	-57.37	411.82	12.39	-44.98
CCCCC(=O)NC1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012025984	0	54	0.0	-43.65	424.26	9.19	-34.46
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)N=C1C	REAL300012025985	0	44	0.0	-59.30	350.70	5.21	-54.09
CCN(C)C1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C(C)=C1	REAL300012025986	0	52	0.0	-37.73	389.10	9.70	-28.03
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012025987	0	37	0.0	-52.73	335.98	7.11	-45.62
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012025988	0	35	0.0	-55.56	330.10	7.97	-47.59
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C(C)(C)C)N=C1C(C)(C)C	REAL300012025989	0	59	0.0	-53.32	434.73	9.96	-43.36
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C=C(C)C=C1OC	REAL300012025990	0	49	0.0	-36.31	382.57	7.29	-29.02
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012025991	0	42	0.0	-62.09	370.68	8.27	-53.82
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012025992	0	48	0.0	-61.15	397.62	10.75	-50.40
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012025993	0	41	0.0	-59.84	345.97	9.30	-50.54
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012025994	0	47	0.0	-45.03	374.22	9.58	-35.45
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1	REAL300012025995	0	60	0.0	-58.03	467.53	12.83	-45.20
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)SN=C1C	REAL300012025996	0	40	0.0	-41.98	324.38	6.67	-35.31
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C(C)(C)C)ON=C1	REAL300012025997	0	46	0.0	-54.31	349.30	7.92	-46.39
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C)=C1C(F)(F)F	REAL300012025998	0	44	0.0	-52.50	351.40	9.41	-43.09
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012025999	0	41	0.0	-43.23	331.10	6.62	-36.61
CCC(C)C1=CC=C(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])C=C1	REAL300012026000	0	50	0.0	-55.21	387.32	10.51	-44.70
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012026001	0	40	0.0	-61.17	352.98	7.24	-53.93
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012026002	0	43	0.0	-39.10	368.74	8.25	-30.85
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012026003	0	45	0.0	-55.31	369.57	6.58	-48.73
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(CC2=CC=CC=C2)N1C	REAL300012026004	0	51	0.0	-59.90	410.20	10.53	-49.37
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(C)(F)F)=N1	REAL300012026005	0	43	0.0	-47.13	353.92	7.86	-39.27
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012026006	0	38	0.0	-58.80	341.81	8.64	-50.16
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012026007	0	38	0.0	-44.17	345.48	9.03	-35.14
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012026008	0	48	0.0	-38.28	357.06	10.16	-28.12
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012026009	0	40	0.0	-67.17	358.56	9.22	-57.95
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC(C)=CC1=CC(F)=CC(F)=C1	REAL300012026010	0	45	0.0	-44.36	365.18	9.87	-34.49
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(F)=C1OC	REAL300012026011	0	42	0.0	-38.27	361.57	7.96	-30.31
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012026012	0	41	0.0	-61.52	352.14	8.95	-52.57
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012026013	0	44	0.0	-48.21	357.18	7.83	-40.38
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C2=CC=CC=C2C=C1	REAL300012026014	0	47	0.0	-39.95	358.35	10.52	-29.43
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C(C)(C)C)N=C1C(C)C	REAL300012026015	0	56	0.0	-38.87	427.65	9.49	-29.38
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012026016	0	44	0.0	-46.24	369.41	10.69	-35.55
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2NC=CC2=C1OC	REAL300012026017	0	46	0.0	-37.22	360.32	7.47	-29.75
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)SC(C)=N1	REAL300012026018	0	40	0.0	-54.22	334.11	6.33	-47.89
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012026019	0	51	0.0	-57.88	396.25	4.93	-52.95
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C=CC(OC)=C1OC	REAL300012026020	0	50	0.0	-49.98	395.78	6.54	-43.44
CCCN1N=CC(C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-])=C1C	REAL300012026021	0	47	0.0	-44.58	364.77	7.71	-36.87
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012026022	0	55	0.0	-33.29	410.69	9.63	-23.66
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012026023	0	52	0.0	-38.92	417.92	11.31	-27.61
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=CC2=CC=CN=C21	REAL300012026024	0	46	0.0	-42.99	356.88	8.85	-34.14
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(N2C=CC=N2)C(C)=C1	REAL300012026025	0	47	0.0	-48.08	376.37	9.25	-38.83
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(=O)OC)=CN1C	REAL300012026026	0	45	0.0	-65.28	370.57	8.04	-57.24
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=C(Br)C=CC(OC)=C1O	REAL300012026027	0	43	0.0	-50.50	365.64	5.59	-44.91
CCCN1N=C(C)C=C1C[NH2+][C@H](CCC(=O)OC)CC(=O)[O-]	REAL300012026028	0	47	0.0	-56.85	369.47	7.75	-49.10
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1CCC1	REAL300012026029	0	48	0.0	-40.96	373.67	8.27	-32.69
COC(=O)CC[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(C)(C)C)O1	REAL300012026030	0	46	0.0	-43.96	364.06	5.39	-38.57
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(C)C=C2)N=C1C(C)(C)C	REAL300012026031	0	57	0.0	-35.22	422.09	11.20	-24.02
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012026032	0	40	0.0	-39.67	323.67	7.53	-32.14
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OCC2=CC=CC=C2)=C1	REAL300012026033	0	53	0.0	-42.00	423.05	10.34	-31.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C2=CC=C(F)C=C2)N=C1C	REAL300012026034	0	45	0.0	-34.33	383.28	9.26	-25.07
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012026035	0	52	0.0	-48.40	414.83	11.74	-36.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(C)(C)C)C=C1	REAL300012026036	0	47	0.0	-41.66	362.72	9.49	-32.17
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012026037	0	42	0.0	-38.64	323.96	6.78	-31.86
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)O1	REAL300012026038	0	32	0.0	-40.62	284.99	6.03	-34.59
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C	REAL300012026039	0	45	0.0	-46.48	364.98	8.96	-37.52
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(CCC#N)N=C1C1=CC=CC=C1	REAL300012026040	0	49	0.0	-49.02	401.16	9.70	-39.32
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C(OC)=C1	REAL300012026041	0	43	0.0	-40.31	351.05	6.65	-33.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012026042	0	51	0.0	-46.90	408.86	9.92	-36.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1	REAL300012026043	0	42	0.0	-41.02	364.08	9.68	-31.34
CCCOC1=CC=C(Br)C=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026044	0	45	0.0	-39.94	379.78	8.87	-31.07
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC=C1OC	REAL300012026045	0	46	0.0	-40.33	363.15	7.29	-33.04
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012026046	0	49	0.0	-32.35	385.33	10.22	-22.13
CCCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026047	0	51	0.0	-43.72	402.38	9.76	-33.96
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012026048	0	44	0.0	-50.54	370.93	9.73	-40.81
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012026049	0	44	0.0	-45.72	370.97	9.72	-36.00
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(Br)=C1	REAL300012026050	0	39	0.0	-41.52	332.47	7.13	-34.39
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC(C)C	REAL300012026051	0	45	0.0	-31.75	349.26	8.08	-23.67
CCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1OC	REAL300012026052	0	52	0.0	-39.15	406.14	8.87	-30.28
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1OC	REAL300012026053	0	49	0.0	-40.25	384.64	8.09	-32.16
C=CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1OC	REAL300012026054	0	47	0.0	-40.64	376.05	7.87	-32.77
CCCCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1OC	REAL300012026055	0	58	0.0	-39.14	449.14	10.43	-28.71
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012026056	0	42	0.0	-40.99	359.51	9.57	-31.42
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012026057	0	42	0.0	-45.94	363.64	9.63	-36.31
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1	REAL300012026058	0	42	0.0	-39.74	364.03	9.68	-30.06
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012026059	0	42	0.0	-44.99	371.47	10.48	-34.51
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012026060	0	45	0.0	-42.71	366.78	8.84	-33.87
CCC1=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C2=CC=CC=C2O1	REAL300012026061	0	44	0.0	-41.32	349.09	9.04	-32.28
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012026062	0	44	0.0	-52.44	370.88	10.36	-42.08
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012026063	0	41	0.0	-44.95	357.78	8.04	-36.91
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012026064	0	39	0.0	-40.20	331.27	7.02	-33.18
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012026065	0	39	0.0	-45.19	342.93	8.64	-36.55
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(O)C=C1[N+](=O)[O-]	REAL300012026066	0	42	0.0	-44.18	345.39	4.82	-39.36
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C=C1Cl	REAL300012026067	0	39	0.0	-33.08	324.88	6.88	-26.20
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012026068	0	39	0.0	-45.37	332.53	6.96	-38.41
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012026069	0	44	0.0	-43.95	378.57	10.62	-33.33
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012026070	0	44	0.0	-50.68	383.47	10.70	-39.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012026071	0	42	0.0	-38.29	330.36	6.85	-31.44
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(C)C=C1	REAL300012026072	0	45	0.0	-46.20	357.34	7.69	-38.51
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012026073	0	39	0.0	-40.28	330.16	6.30	-33.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(OC)C=C1	REAL300012026074	0	46	0.0	-39.42	353.40	6.08	-33.34
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC2=CC=CC=C12	REAL300012026075	0	38	0.0	-36.00	319.57	8.53	-27.47
CCOC1=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C(C)=NN1CC(C)C	REAL300012026076	0	54	0.0	-33.83	408.41	7.28	-26.55
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012026077	0	41	0.0	-44.96	332.58	7.67	-37.29
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(C)C=C2)O1	REAL300012026078	0	45	0.0	-41.19	364.19	9.73	-31.46
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(C)O1	REAL300012026079	0	42	0.0	-37.31	343.39	6.17	-31.14
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012026080	0	41	0.0	-33.59	323.20	5.28	-28.31
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012026081	0	48	0.0	-41.35	368.40	5.94	-35.41
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012026082	0	50	0.0	-46.08	394.85	7.78	-38.30
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012026083	0	42	0.0	-45.50	361.15	10.03	-35.47
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012026084	0	40	0.0	-39.14	326.49	7.68	-31.46
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012026085	0	48	0.0	-40.57	389.29	8.81	-31.76
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2N=C1OC	REAL300012026086	0	44	0.0	-45.80	357.34	6.19	-39.61
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012026087	0	42	0.0	-40.26	340.90	8.37	-31.89
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012026088	0	41	0.0	-41.78	335.83	9.69	-32.09
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N=C2C(=C1)C=NN2C(C)C	REAL300012026089	0	46	0.0	-45.61	381.50	8.27	-37.34
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012026090	0	42	0.0	-43.28	371.28	10.47	-32.81
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C(OC)=C1	REAL300012026091	0	52	0.0	-43.70	417.94	8.57	-35.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012026092	0	42	0.0	-43.88	363.73	10.13	-33.75
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012026093	0	38	0.0	-42.85	337.82	8.68	-34.17
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012026094	0	35	0.0	-33.39	301.80	7.66	-25.73
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012026095	0	35	0.0	-41.73	305.14	7.73	-34.00
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012026096	0	38	0.0	-44.33	326.87	8.22	-36.11
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012026097	0	35	0.0	-39.45	316.34	8.14	-31.31
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012026098	0	38	0.0	-31.07	313.84	8.09	-22.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012026099	0	35	0.0	-42.90	301.49	7.36	-35.54
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012026100	0	38	0.0	-40.12	327.96	8.26	-31.86
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012026101	0	38	0.0	-44.25	330.40	8.25	-36.00
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OC)=C1Cl	REAL300012026102	0	43	0.0	-42.94	361.52	6.96	-35.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012026103	0	38	0.0	-39.36	319.93	8.70	-30.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012026104	0	35	0.0	-41.86	305.14	7.74	-34.12
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1C(C)C	REAL300012026105	0	51	0.0	-41.34	421.85	10.47	-30.87
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012026106	0	39	0.0	-43.27	341.61	7.31	-35.96
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012026107	0	42	0.0	-40.64	367.12	10.46	-30.18
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC(C#N)=C2)=C1	REAL300012026108	0	50	0.0	-39.82	414.67	10.83	-28.99
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012026109	0	45	0.0	-50.69	361.90	5.68	-45.01
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC(F)(F)F)C(OC)=C1	REAL300012026110	0	46	0.0	-43.55	382.72	7.75	-35.80
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012026111	0	48	0.0	-47.42	392.67	8.68	-38.74
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012026112	0	41	0.0	-39.93	347.39	6.99	-32.94
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012026113	0	45	0.0	-50.73	386.05	9.33	-41.40
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C)N=C1C(C)C	REAL300012026114	0	44	0.0	-41.89	366.63	7.13	-34.76
COCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1	REAL300012026115	0	46	0.0	-36.90	367.53	6.67	-30.23
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(Cl)=C1	REAL300012026116	0	39	0.0	-41.55	328.08	7.02	-34.53
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012026117	0	40	0.0	-47.30	342.81	6.09	-41.21
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC2=CC=CC=C2N1C(C)C	REAL300012026118	0	47	0.0	-43.74	363.93	8.74	-35.00
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)N=C1	REAL300012026119	0	51	0.0	-47.52	400.45	7.12	-40.40
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012026120	0	42	0.0	-37.34	353.47	7.86	-29.48
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012026121	0	41	0.0	-34.54	325.46	6.38	-28.16
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012026122	0	44	0.0	-33.17	340.59	7.12	-26.05
CCCN1C2=CC=CC=C2N=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026123	0	47	0.0	-43.50	373.10	9.18	-34.32
CCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1	REAL300012026124	0	45	0.0	-35.33	355.40	8.19	-27.14
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012026125	0	42	0.0	-43.60	352.57	9.75	-33.85
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012026126	0	49	0.0	-43.81	381.46	9.40	-34.41
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC(C)C)=C1	REAL300012026127	0	45	0.0	-36.54	351.72	8.03	-28.51
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC2=CC=CC=C2O1	REAL300012026128	0	48	0.0	-38.80	391.23	9.07	-29.73
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=C(C)C=C2)=N1	REAL300012026129	0	44	0.0	-41.17	368.73	8.64	-32.53
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C(C)C)=N1	REAL300012026130	0	40	0.0	-39.58	330.31	6.21	-33.37
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012026131	0	49	0.0	-37.58	397.53	10.61	-26.97
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012026132	1	45	0.0	-44.05	378.97	7.48	-36.57
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1	REAL300012026133	1	45	0.0	-43.36	395.71	8.00	-35.36
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(COC2=CC=C(C)C=C2)=N1	REAL300012026134	1	48	0.0	-44.01	400.38	8.15	-35.86
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(COC2=CC=C(OC)C=C2)=N1	REAL300012026135	1	49	0.0	-45.00	408.47	6.76	-38.24
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C(C)(C)C)=N1	REAL300012026136	0	43	0.0	-42.31	353.23	6.72	-35.59
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012026137	0	38	0.0	-40.86	338.43	6.90	-33.96
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012026138	0	42	0.0	-41.75	356.80	10.01	-31.74
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC(=O)N(C)C	REAL300012026139	0	49	0.0	-35.61	386.00	7.89	-27.72
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012026140	0	49	0.0	-38.60	380.48	9.44	-29.16
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=CC=C1OCC1=CC=CC=N1	REAL300012026141	0	52	0.0	-41.81	418.77	8.10	-33.71
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(C)C=C2)S1	REAL300012026142	0	45	0.0	-38.94	371.79	10.62	-28.32
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012026143	0	41	0.0	-49.56	353.09	7.48	-42.08
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC(Cl)=C1OC	REAL300012026144	0	39	0.0	-35.03	344.76	7.61	-27.42
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012026145	0	35	0.0	-39.47	320.92	8.24	-31.23
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012026146	0	35	0.0	-38.65	319.90	8.24	-30.41
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012026147	0	46	0.0	-38.02	384.86	10.21	-27.81
CCOC1=C(OC)C=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1OC	REAL300012026148	0	50	0.0	-42.06	396.30	7.23	-34.83
COCCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1	REAL300012026149	0	49	0.0	-36.80	389.07	7.27	-29.53
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(Cl)C(C)=C1	REAL300012026150	0	37	0.0	-38.85	312.99	6.41	-32.44
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=CC=C1OC(F)F	REAL300012026151	0	43	0.0	-43.11	354.35	6.09	-37.02
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Br)=C1OC(F)F	REAL300012026152	0	39	0.0	-33.57	338.15	7.39	-26.18
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012026153	0	39	0.0	-39.09	338.51	7.22	-31.87
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012026154	0	55	0.0	-36.78	436.81	12.00	-24.78
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CN=C2)C(C)=C1	REAL300012026155	0	48	0.0	-40.19	386.08	8.93	-31.26
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012026156	0	53	0.0	-35.11	420.77	8.31	-26.80
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=C(C)C=C2)S1	REAL300012026157	0	44	0.0	-38.69	368.96	8.87	-29.82
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012026158	0	40	0.0	-34.37	339.26	8.17	-26.20
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012026159	0	40	0.0	-40.96	332.06	7.72	-33.24
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012026160	0	40	0.0	-35.08	328.96	7.73	-27.35
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012026161	0	40	0.0	-40.37	340.92	8.10	-32.27
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012026162	0	42	0.0	-43.24	357.27	9.22	-34.02
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(F)C=C2C)O1	REAL300012026163	0	45	0.0	-45.67	373.67	9.82	-35.85
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)O2)C=C1	REAL300012026164	0	48	0.0	-40.95	385.67	10.50	-30.45
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C=C1OC(F)F	REAL300012026165	0	43	0.0	-44.53	353.99	6.11	-38.42
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(OC)=CC=C2O1	REAL300012026166	0	42	0.0	-47.12	344.26	6.99	-40.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012026167	0	39	0.0	-38.57	330.31	8.99	-29.58
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)OC2=CC=CC=C21	REAL300012026168	0	41	0.0	-35.17	331.48	8.33	-26.84
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012026169	0	43	0.0	-41.99	349.37	8.95	-33.04
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C(Br)=C1	REAL300012026170	0	38	0.0	-35.22	322.03	8.35	-26.87
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012026171	0	39	0.0	-37.19	325.45	8.58	-28.61
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(C)=C1	REAL300012026172	0	38	0.0	-37.23	322.03	8.35	-28.88
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012026173	0	42	0.0	-43.48	341.43	8.29	-35.19
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012026174	0	40	0.0	-40.56	339.40	7.53	-33.03
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012026175	0	39	0.0	-47.85	324.92	7.19	-40.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012026176	0	39	0.0	-47.31	324.82	7.18	-40.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CN=C2C(C)=C1	REAL300012026177	0	43	0.0	-47.30	347.77	8.37	-38.93
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012026178	0	37	0.0	-40.08	314.42	6.65	-33.43
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1	REAL300012026179	0	54	0.0	-40.67	418.90	11.38	-29.29
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026180	0	55	0.0	-39.32	421.65	9.96	-29.36
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026181	0	55	0.0	-39.55	429.34	10.27	-29.28
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=C(OCC2=CC=CC(C)=C2)C(C)=C1	REAL300012026182	0	58	0.0	-44.99	461.00	12.63	-32.36
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=C(OCC2=CC=CC=C2C)C(C)=C1	REAL300012026183	0	58	0.0	-44.89	455.78	12.66	-32.23
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026184	0	53	0.0	-36.62	413.18	11.82	-24.80
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(CC2=CC=C(Cl)C=C2)N=C1C	REAL300012026185	0	51	0.0	-47.09	421.10	10.14	-36.95
CCN(CC)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1F	REAL300012026186	0	49	0.0	-40.70	382.77	8.33	-32.37
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OC)C=C1SC	REAL300012026187	0	47	0.0	-41.77	381.22	7.32	-34.45
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC2=CC=C(OC)C=C2S1	REAL300012026188	0	41	0.0	-43.27	348.18	5.98	-37.29
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC2=CC=C(Cl)C=C2N1C	REAL300012026189	0	41	0.0	-44.17	346.52	8.03	-36.14
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(C#N)=C1	REAL300012026190	0	40	0.0	-48.01	332.26	6.88	-41.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012026191	0	39	0.0	-45.68	336.34	8.44	-37.24
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=C(Cl)C=C1C	REAL300012026192	0	41	0.0	-41.70	336.31	8.76	-32.94
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012026193	0	39	0.0	-42.54	328.03	6.81	-35.73
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)C=C1C	REAL300012026194	0	41	0.0	-37.17	334.04	8.71	-28.46
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C(OC)C(OC)=C1	REAL300012026195	0	43	0.0	-42.32	361.20	7.01	-35.31
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC=C1OC(F)F	REAL300012026196	0	39	0.0	-43.20	346.18	7.42	-35.78
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(CC2=CC=C(C)C=C2)N=C1C	REAL300012026197	0	51	0.0	-34.04	422.78	10.32	-23.72
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OCC(C)C)=C1	REAL300012026198	0	52	0.0	-39.86	404.75	8.77	-31.09
CCCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC=C1OC	REAL300012026199	0	49	0.0	-40.21	384.64	8.09	-32.12
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)S1	REAL300012026200	0	32	0.0	-38.59	294.44	7.00	-31.59
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC(Cl)=C1OC	REAL300012026201	0	46	0.0	-42.15	383.05	7.93	-34.22
C=CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1	REAL300012026202	0	43	0.0	-35.60	346.80	7.98	-27.62
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC)=C1OC(C)C	REAL300012026203	0	49	0.0	-32.90	371.26	8.05	-24.85
CCOC1=C(Cl)C=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1OC	REAL300012026204	0	46	0.0	-42.33	383.05	7.97	-34.36
CCCOC1=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=CC=C1OCC	REAL300012026205	0	52	0.0	-40.49	407.83	9.29	-31.20
CCCCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC=C1OC	REAL300012026206	0	52	0.0	-40.07	406.14	8.88	-31.19
CCCOC1=C(Cl)C=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1OCC	REAL300012026207	0	52	0.0	-41.95	426.40	9.69	-32.26
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C2=CC(C)=CC=C2C)N=C1C	REAL300012026208	0	51	0.0	-38.14	418.57	10.86	-27.28
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OC(F)F)=C1	REAL300012026209	0	43	0.0	-43.49	351.05	6.66	-36.83
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC=C1OC(F)F	REAL300012026210	0	46	0.0	-40.06	372.90	7.57	-32.49
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=C(OC(F)F)C(C)=C1	REAL300012026211	0	45	0.0	-45.71	363.86	8.16	-37.55
CCOC1=CC2=C(C=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)OC(C)C2	REAL300012026212	0	50	0.0	-40.35	393.50	8.04	-32.31
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C2OCCOC2=C1	REAL300012026213	0	45	0.0	-40.44	356.23	6.19	-34.25
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012026214	0	44	0.0	-48.71	377.03	8.59	-40.12
CCCCN1N=C(C)C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1Cl	REAL300012026215	0	47	0.0	-40.56	389.49	8.23	-32.33
CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1OC(F)F	REAL300012026216	0	46	0.0	-34.48	371.47	7.65	-26.83
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012026217	0	53	0.0	-45.39	420.86	9.32	-36.07
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012026218	0	42	0.0	-39.02	350.39	9.95	-29.07
CCCOC1=C(Cl)C=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1OC	REAL300012026219	0	49	0.0	-42.19	404.55	8.77	-33.42
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C(C)(C)C	REAL300012026220	0	57	0.0	-34.22	426.50	11.01	-23.21
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012026221	0	42	0.0	-46.07	357.49	9.24	-36.83
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1CCCCC1	REAL300012026222	0	51	0.0	-36.44	387.78	8.64	-27.80
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC(C)CCC1=CC=CC=C1	REAL300012026223	0	47	0.0	-36.71	361.62	10.05	-26.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC2=C(CC(C)(C)CC2)S1	REAL300012026224	0	47	0.0	-39.91	370.76	7.83	-32.08
CCC1=CC=CC(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026225	0	41	0.0	-36.27	330.70	8.85	-27.42
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(C)=C(C)C=C2O1	REAL300012026226	0	44	0.0	-41.81	349.43	8.92	-32.89
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012026227	0	42	0.0	-37.83	340.67	7.30	-30.53
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012026228	0	42	0.0	-50.18	342.49	9.55	-40.63
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012026229	0	42	0.0	-47.22	355.18	9.19	-38.03
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012026230	0	41	0.0	-40.22	343.01	6.87	-33.35
CCCCC1=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C2=CC=CC=C2O1	REAL300012026231	0	50	0.0	-41.09	391.35	10.54	-30.55
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012026232	0	48	0.0	-44.33	389.46	11.84	-32.49
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2=CC=CS2)C(OC)=C1	REAL300012026233	0	50	0.0	-40.64	413.29	9.41	-31.23
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C2=CC=C(F)C=C2)N=C1C	REAL300012026234	0	48	0.0	-47.29	388.29	9.32	-37.97
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012026235	0	44	0.0	-40.88	361.39	7.66	-33.22
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300012026236	0	49	0.0	-36.98	406.98	11.03	-25.95
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012026237	0	44	0.0	-46.17	344.75	8.43	-37.74
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1CCOC(C(C)C)C1	REAL300012026238	0	48	0.0	-35.27	352.37	7.30	-27.97
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012026239	0	42	0.0	-46.91	359.70	7.93	-38.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012026240	1	41	0.0	-51.83	363.14	7.77	-44.06
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012026241	1	41	0.0	-50.16	362.02	7.57	-42.59
CCSC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1	REAL300012026242	0	42	0.0	-35.05	344.22	9.02	-26.03
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012026243	1	36	0.0	-46.29	317.70	4.91	-41.38
CCN1N=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C2=CC=CC=C21	REAL300012026244	0	44	0.0	-40.31	354.30	7.95	-32.36
COCCC1(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)CCCCC1	REAL300012026245	0	51	0.0	-41.14	364.93	7.39	-33.75
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012026246	0	32	0.0	-37.69	310.22	7.48	-30.21
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026247	0	45	0.0	-43.83	359.38	8.20	-35.63
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(OC)C=C2[N+](=O)[O-])O1	REAL300012026248	0	48	0.0	-53.32	400.34	9.65	-43.67
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012026249	0	42	0.0	-43.00	374.62	10.03	-32.97
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1C	REAL300012026250	0	48	0.0	-34.12	401.35	9.65	-24.47
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012026251	0	42	0.0	-41.23	342.79	9.05	-32.18
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(C)C)C(OC)=C1	REAL300012026252	0	49	0.0	-40.39	381.17	7.92	-32.47
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1OCC	REAL300012026253	0	52	0.0	-40.00	406.50	9.01	-30.99
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012026254	0	40	0.0	-48.00	326.44	8.39	-39.61
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(CC2=CC=C(F)C=C2)N=C1C	REAL300012026255	0	48	0.0	-35.15	407.76	9.72	-25.43
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(C)C)C=C1	REAL300012026256	0	45	0.0	-44.12	356.03	8.04	-36.08
CCCCCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026257	0	57	0.0	-43.64	445.38	11.32	-32.32
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300012026258	0	56	0.0	-36.51	415.49	11.54	-24.97
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Br)C=CS1	REAL300012026259	0	32	0.0	-31.77	292.36	6.80	-24.97
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012026260	0	48	0.0	-32.42	358.02	6.59	-25.83
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1Br	REAL300012026261	0	35	0.0	-39.18	309.57	7.80	-31.38
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CC(C)C)C=C1	REAL300012026262	0	47	0.0	-41.65	367.72	9.85	-31.80
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=C(C)C=C2)=C1	REAL300012026263	0	48	0.0	-44.21	382.15	11.25	-32.96
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=CC=C1Br	REAL300012026264	0	39	0.0	-40.85	330.62	7.02	-33.83
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300012026265	0	41	0.0	-43.14	338.07	7.90	-35.24
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012026266	0	35	0.0	-37.73	316.01	8.18	-29.55
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012026267	0	35	0.0	-38.06	305.63	7.76	-30.30
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CO1	REAL300012026268	0	32	0.0	-38.37	284.95	5.95	-32.42
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=CC=C2C)=C1	REAL300012026269	0	48	0.0	-43.97	382.62	11.25	-32.72
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012026270	0	41	0.0	-40.56	360.34	9.17	-31.39
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012026271	0	39	0.0	-38.78	321.80	6.75	-32.03
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1OCC	REAL300012026272	0	49	0.0	-40.32	385.00	8.21	-32.11
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012026273	0	35	0.0	-34.06	304.97	7.71	-26.35
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012026274	0	38	0.0	-43.40	334.44	8.58	-34.82
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C=C1Br	REAL300012026275	0	35	0.0	-32.95	305.38	7.77	-25.18
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012026276	0	39	0.0	-36.63	328.54	6.96	-29.67
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012026277	0	35	0.0	-41.18	309.21	7.73	-33.45
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2OC)C=C1	REAL300012026278	0	49	0.0	-45.10	394.74	10.23	-34.87
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012026279	0	45	0.0	-44.20	381.78	10.07	-34.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012026280	0	35	0.0	-33.63	304.24	7.71	-25.92
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C2=CC=CC=C12	REAL300012026281	0	45	0.0	-35.94	350.64	8.62	-27.32
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012026282	0	42	0.0	-42.93	341.82	7.27	-35.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012026282	1	42	0.0	-35.17	339.84	7.09	-28.08
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC2=CC=CC=C2N1C	REAL300012026283	0	41	0.0	-45.32	329.80	7.52	-37.80
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(O)=C1Br	REAL300012026284	0	40	0.0	-42.02	342.11	4.89	-37.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(Br)=C1	REAL300012026285	0	32	0.0	-38.41	294.20	6.85	-31.56
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OCC2=CC=CN=C2)=C1	REAL300012026286	0	52	0.0	-43.64	417.89	8.55	-35.09
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300012026287	0	48	0.0	-45.40	408.46	9.23	-36.17
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OC)C=C1C1=CC=CC=C1	REAL300012026288	0	53	0.0	-37.87	412.24	10.09	-27.78
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012026289	0	45	0.0	-44.20	360.75	10.57	-33.63
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012026290	0	48	0.0	-43.26	391.35	8.73	-34.53
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012026291	0	46	0.0	-46.19	360.82	7.09	-39.10
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012026292	0	35	0.0	-41.79	309.55	7.84	-33.95
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012026293	0	44	0.0	-42.71	354.26	9.05	-33.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012026294	0	44	0.0	-45.94	355.76	8.81	-37.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012026295	0	44	0.0	-46.94	355.95	8.82	-38.12
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C(C)(C)C)N=C1C	REAL300012026296	0	50	0.0	-38.57	376.43	7.73	-30.84
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCN(C)CC2)C=C1	REAL300012026297	1	52	0.0	-43.73	396.12	5.89	-37.84
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012026298	0	44	0.0	-48.03	368.11	5.65	-42.38
CNC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026299	0	42	0.0	-52.53	343.00	5.45	-47.08
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012026300	0	42	0.0	-39.35	347.79	8.45	-30.90
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C2=CC=C(Cl)C=C2)N=C1C	REAL300012026301	0	48	0.0	-46.78	398.60	9.77	-37.01
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012026302	0	42	0.0	-38.85	358.10	8.90	-29.95
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C2=CC=C(F)C=C2F)N=C1C	REAL300012026303	0	48	0.0	-37.37	393.26	9.52	-27.85
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=C(OCC2=CC=CC=N2)C(C)=C1	REAL300012026304	0	54	0.0	-46.39	432.35	10.26	-36.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012026305	0	42	0.0	-47.33	357.46	7.86	-39.47
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012026306	0	41	0.0	-37.48	328.65	9.42	-28.06
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC(OC)=C2O1	REAL300012026307	0	42	0.0	-48.46	344.28	7.00	-41.46
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(C)C)C([N+](=O)[O-])=C1	REAL300012026308	0	46	0.0	-49.00	366.58	9.62	-39.38
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012026309	0	38	0.0	-41.60	329.91	6.45	-35.15
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300012026310	0	51	0.0	-46.01	404.36	9.62	-36.39
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(CC2=CC=CC=C2Cl)N=C1C	REAL300012026311	0	51	0.0	-47.20	418.72	10.09	-37.11
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC=C1OCC(C)C	REAL300012026312	0	55	0.0	-39.80	426.60	9.69	-30.11
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC=C1F	REAL300012026313	0	35	0.0	-41.14	313.77	7.83	-33.31
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OC)C=C1Br	REAL300012026314	0	43	0.0	-44.03	359.97	6.93	-37.10
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1F	REAL300012026315	0	35	0.0	-34.07	309.54	7.81	-26.26
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=CC(OC)=C1	REAL300012026316	0	43	0.0	-38.55	341.55	5.78	-32.77
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=C(OC)C=C2C=C1	REAL300012026317	0	45	0.0	-46.65	361.99	8.72	-37.93
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CS1	REAL300012026319	0	32	0.0	-42.94	298.60	6.91	-36.03
CCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1OCC	REAL300012026320	0	55	0.0	-39.07	427.99	9.79	-29.28
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300012026321	0	48	0.0	-45.17	382.84	9.27	-35.90
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC)=C1OC(F)F	REAL300012026322	0	43	0.0	-34.69	349.73	6.70	-27.99
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012026323	0	39	0.0	-45.85	347.06	7.75	-38.10
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012026324	0	55	0.0	-41.72	424.48	10.50	-31.22
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012026325	0	41	0.0	-49.78	332.89	6.22	-43.56
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012026327	0	35	0.0	-41.68	309.55	7.83	-33.85
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2=CC=C(C)C=C2)C=C1	REAL300012026328	0	52	0.0	-45.24	419.21	11.14	-34.10
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012026329	0	50	0.0	-42.58	379.46	8.45	-34.13
CCCCCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1	REAL300012026330	0	54	0.0	-35.26	419.90	10.54	-24.72
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC)C(OC)=C1	REAL300012026331	0	43	0.0	-40.12	351.46	7.51	-32.61
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCCCC#N)=C1	REAL300012026332	0	46	0.0	-42.23	376.25	8.71	-33.52
CCCCCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC=C1OC	REAL300012026333	0	55	0.0	-39.97	427.64	9.66	-30.31
CCC(C)OC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC=C1OC	REAL300012026334	0	52	0.0	-39.39	401.93	8.71	-30.68
CCCCCCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1	REAL300012026335	0	57	0.0	-35.26	441.39	11.32	-23.94
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OCCCC#N)=C1	REAL300012026336	0	50	0.0	-44.19	405.49	8.62	-35.57
C=C(C)COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC=C1OC	REAL300012026337	0	50	0.0	-40.33	395.46	8.64	-31.69
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OCCC(C)C)=C1	REAL300012026338	0	55	0.0	-39.85	423.71	9.39	-30.46
C=CCC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC(OC)=C1O	REAL300012026339	0	47	0.0	-39.61	377.41	6.32	-33.29
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012026340	0	42	0.0	-42.16	341.94	7.09	-35.07
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026341	0	44	0.0	-47.09	365.19	8.12	-38.97
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(OCC(F)(F)F)N(C)N=C1C	REAL300012026342	0	45	0.0	-36.04	379.69	5.72	-30.32
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC=C1OCC(F)(F)F	REAL300012026343	0	49	0.0	-43.44	404.57	8.67	-34.77
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012026344	1	41	0.0	-48.62	335.45	7.00	-41.62
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012026345	0	41	0.0	-35.39	345.69	7.94	-27.45
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012026346	0	48	0.0	-42.21	369.74	5.98	-36.23
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2C(=C1)N=CN2C	REAL300012026347	0	41	0.0	-39.42	330.93	8.52	-30.90
C=CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1Cl	REAL300012026348	0	43	0.0	-41.71	362.83	8.53	-33.18
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012026349	0	41	0.0	-44.79	351.56	8.20	-36.59
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=CC2=C1OC(C)C2	REAL300012026350	0	47	0.0	-40.18	373.34	7.05	-33.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OC(C)(C)CC2=C1	REAL300012026351	0	46	0.0	-45.47	364.31	8.43	-37.04
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012026352	0	41	0.0	-43.89	339.20	5.60	-38.29
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012026353	0	38	0.0	-42.34	339.02	6.99	-35.35
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CC(C)=C1	REAL300012026354	0	45	0.0	-38.74	345.32	7.45	-31.29
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012026355	0	38	0.0	-39.61	338.28	8.70	-30.91
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300012026356	0	38	0.0	-39.45	342.84	8.79	-30.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012026357	0	35	0.0	-32.84	316.70	8.21	-24.63
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C=C1Br	REAL300012026358	0	38	0.0	-31.36	320.40	8.37	-22.99
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC(C)C)C=C1	REAL300012026359	0	48	0.0	-43.57	379.48	8.89	-34.68
COCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026360	0	46	0.0	-46.03	371.51	6.67	-39.36
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1	REAL300012026361	0	50	0.0	-40.42	411.28	10.87	-29.55
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012026362	0	39	0.0	-41.14	337.83	7.29	-33.85
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012026363	0	43	0.0	-42.46	375.59	8.63	-33.83
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C)N=C1C1=CC=CC=C1	REAL300012026364	0	45	0.0	-34.85	377.36	8.67	-26.18
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C=C1OC)OCO2	REAL300012026365	0	42	0.0	-42.91	340.78	5.18	-37.73
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012026366	0	40	0.0	-37.96	318.60	7.51	-30.45
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC(C)C)=C1	REAL300012026367	0	48	0.0	-35.16	375.50	8.89	-26.27
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=CC(Br)=C1	REAL300012026368	0	34	0.0	-38.99	298.71	5.99	-33.00
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2C(=C1)N=NN2C	REAL300012026369	0	40	0.0	-48.49	326.48	5.63	-42.86
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OC(C)(C)C2	REAL300012026370	0	46	0.0	-32.32	359.76	8.39	-23.93
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012026371	0	40	0.0	-40.51	343.96	7.64	-32.87
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC=CC=C1	REAL300012026372	0	45	0.0	-46.63	358.81	8.33	-38.30
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012026373	0	42	0.0	-45.56	340.96	8.36	-37.20
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=C(Br)S1	REAL300012026374	0	35	0.0	-38.70	314.04	7.60	-31.10
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012026375	0	40	0.0	-40.49	344.96	8.19	-32.30
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=C(C)N=C2C=C1	REAL300012026376	0	43	0.0	-39.92	345.24	8.14	-31.78
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300012026377	0	50	0.0	-47.43	405.55	9.33	-38.10
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012026378	0	37	0.0	-33.92	302.30	6.13	-27.79
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC(C)=CC(C)=C2)C=C1	REAL300012026379	0	51	0.0	-44.47	403.55	11.91	-32.56
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=NC=N2)C(C)=C1	REAL300012026380	0	44	0.0	-41.23	351.18	10.64	-30.59
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012026381	0	38	0.0	-46.76	320.82	7.77	-38.99
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012026382	0	42	0.0	-48.33	350.89	7.72	-40.61
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1C	REAL300012026383	0	45	0.0	-38.62	377.85	9.47	-29.15
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012026384	0	49	0.0	-37.28	400.23	10.52	-26.76
CCCCOC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026385	0	48	0.0	-32.08	373.35	8.94	-23.14
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012026386	0	46	0.0	-38.51	382.93	11.31	-27.20
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=C(C)C=C1OC(F)F	REAL300012026387	0	45	0.0	-41.60	362.91	8.01	-33.59
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OC)C=C1C	REAL300012026388	0	46	0.0	-45.35	360.02	6.98	-38.37
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC2=CC(Cl)=CC=C2N1C	REAL300012026389	0	41	0.0	-35.52	345.75	8.03	-27.49
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1S(C)(=O)=O	REAL300012026390	1	41	0.0	-43.17	345.75	5.61	-37.56
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026391	0	44	0.0	-37.68	359.46	7.30	-30.38
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012026392	0	39	0.0	-43.47	329.31	6.18	-37.29
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1SC	REAL300012026393	0	39	0.0	-32.69	339.70	8.70	-23.99
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012026394	0	45	0.0	-44.50	373.21	8.90	-35.60
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC2=C(CC(C)CC2)S1	REAL300012026395	0	44	0.0	-33.87	351.86	7.52	-26.35
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1CCC(C(C)(C)C)CC1	REAL300012026396	0	53	0.0	-35.46	372.41	9.48	-25.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C(Br)=C1	REAL300012026397	0	39	0.0	-41.14	342.22	7.41	-33.73
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012026398	0	48	0.0	-44.79	405.52	9.84	-34.95
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1OC	REAL300012026399	0	49	0.0	-34.61	385.01	9.93	-24.68
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=C2)=CC=C1OC	REAL300012026400	0	49	0.0	-40.61	388.87	9.95	-30.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=NC=C2)=CC=C1OC	REAL300012026401	0	48	0.0	-43.58	384.07	8.20	-35.38
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012026402	0	46	0.0	-44.08	369.57	8.98	-35.10
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012026403	0	46	0.0	-40.47	396.68	10.64	-29.83
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C(OC)C=C1Cl	REAL300012026404	0	39	0.0	-42.93	343.93	7.51	-35.42
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(CC(C)C)S1	REAL300012026405	0	43	0.0	-43.12	354.38	7.35	-35.77
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012026406	0	38	0.0	-44.86	343.43	7.26	-37.60
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012026407	0	38	0.0	-44.81	343.07	7.15	-37.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=C(C)O2)S1	REAL300012026408	0	41	0.0	-46.62	356.24	7.10	-39.52
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1C	REAL300012026409	0	38	0.0	-35.36	316.03	8.34	-27.02
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012026410	0	35	0.0	-40.75	318.67	8.25	-32.50
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012026411	0	42	0.0	-40.77	340.69	6.94	-33.83
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012026412	0	44	0.0	-36.86	357.63	8.84	-28.02
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012026413	0	38	0.0	-42.26	330.65	8.13	-34.13
COCCOC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026414	0	46	0.0	-32.71	361.64	6.47	-26.24
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012026415	0	35	0.0	-32.45	315.72	8.21	-24.24
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Br)=C1OC	REAL300012026416	0	39	0.0	-34.74	332.67	7.21	-27.53
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC=CS1	REAL300012026417	0	42	0.0	-33.98	343.24	7.39	-26.59
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012026418	0	49	0.0	-39.85	396.69	9.94	-29.91
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Br)C=C(OC)C=C1OC	REAL300012026419	0	43	0.0	-31.53	358.24	6.31	-25.22
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012026420	0	46	0.0	-37.58	387.51	10.39	-27.19
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012026421	0	50	0.0	-41.67	410.42	8.44	-33.23
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C(C)(C)C	REAL300012026422	0	54	0.0	-35.10	400.99	10.54	-24.56
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012026423	0	42	0.0	-41.46	349.20	9.12	-32.34
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(C)(C)C)S1	REAL300012026424	0	43	0.0	-36.65	349.38	6.96	-29.69
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012026425	0	41	0.0	-45.78	331.40	6.34	-39.44
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Br)=C1	REAL300012026426	0	35	0.0	-35.35	303.84	7.78	-27.57
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012026427	0	42	0.0	-42.52	341.37	8.38	-34.14
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012026428	0	45	0.0	-37.74	379.41	9.31	-28.43
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(NC(C)=O)C=C1	REAL300012026429	0	42	0.0	-48.58	342.87	6.09	-42.49
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012026430	0	41	0.0	-41.20	327.50	9.32	-31.88
CCN(CC)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026431	0	49	0.0	-41.46	381.66	9.48	-31.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1	REAL300012026432	0	35	0.0	-44.70	307.82	7.79	-36.91
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OC)C(OC)=C1	REAL300012026433	0	47	0.0	-49.21	378.43	6.29	-42.92
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012026434	0	35	0.0	-38.67	305.89	7.61	-31.06
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012026435	0	39	0.0	-35.21	320.35	6.81	-28.40
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC)=C1OC	REAL300012026436	0	43	0.0	-34.57	341.27	6.43	-28.14
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012026437	0	35	0.0	-32.86	312.13	8.10	-24.76
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012026438	0	48	0.0	-44.71	370.91	6.01	-38.70
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OC)=C1	REAL300012026439	0	43	0.0	-40.59	341.29	6.36	-34.23
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C=C1OC	REAL300012026440	0	43	0.0	-34.09	340.34	5.80	-28.29
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012026441	0	38	0.0	-46.73	325.25	8.17	-38.56
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012026442	0	35	0.0	-32.17	310.36	8.08	-24.09
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012026443	0	35	0.0	-40.78	314.46	8.14	-32.64
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026444	0	56	0.0	-42.91	430.93	12.06	-30.85
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012026445	0	39	0.0	-46.48	325.78	6.75	-39.73
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012026446	0	38	0.0	-30.29	307.45	8.01	-22.28
CCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026447	0	48	0.0	-43.85	380.88	8.98	-34.87
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCCC(C)C)C=C1	REAL300012026448	0	51	0.0	-43.74	398.45	9.50	-34.24
CCCCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026449	0	54	0.0	-43.63	423.88	10.54	-33.09
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012026450	0	46	0.0	-40.90	371.96	10.03	-30.87
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C(OCCC)=C1	REAL300012026451	0	55	0.0	-32.96	424.25	9.15	-23.81
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1OC	REAL300012026452	0	46	0.0	-40.53	363.14	7.28	-33.25
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012026453	0	38	0.0	-36.40	321.26	8.16	-28.24
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OC)=C1OC	REAL300012026454	0	47	0.0	-42.87	378.51	6.36	-36.51
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2=CC=CC=C2)C(OC)=C1	REAL300012026455	0	53	0.0	-41.71	423.05	10.34	-31.37
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC=C1OC	REAL300012026456	0	39	0.0	-40.60	336.42	7.15	-33.45
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C(O)C(OC)=C1	REAL300012026457	0	40	0.0	-42.08	343.15	4.95	-37.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012026458	0	45	0.0	-44.29	360.74	10.59	-33.70
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C=CC2=CC=CC=C21	REAL300012026459	0	45	0.0	-38.87	356.91	8.66	-30.21
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012026460	0	35	0.0	-31.42	310.60	7.98	-23.44
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OC)C=C1OC	REAL300012026461	0	47	0.0	-43.12	373.47	5.72	-37.40
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1C	REAL300012026462	0	45	0.0	-42.30	380.95	9.20	-33.10
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012026463	0	49	0.0	-36.40	393.81	10.45	-25.95
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1Br	REAL300012026464	0	35	0.0	-36.46	298.03	7.73	-28.73
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C)N=C1C	REAL300012026465	0	38	0.0	-33.91	320.64	5.82	-28.09
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300012026466	0	42	0.0	-38.94	362.67	9.00	-29.94
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012026467	0	38	0.0	-45.28	324.76	6.34	-38.94
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C(C)(C)C	REAL300012026468	0	47	0.0	-33.83	345.07	7.15	-26.68
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1I	REAL300012026469	0	35	0.0	-34.49	301.28	8.13	-26.36
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012026470	0	43	0.0	-45.69	363.74	6.39	-39.30
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012026471	0	52	0.0	-50.61	405.55	10.41	-40.20
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N(C)CCC#N)C=C1	REAL300012026472	0	47	0.0	-47.50	380.48	9.02	-38.48
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012026473	0	45	0.0	-41.05	366.65	8.92	-32.13
CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1OC	REAL300012026474	0	46	0.0	-32.41	355.57	7.37	-25.04
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OCC(N)=O)=C1	REAL300012026475	0	47	0.0	-47.67	379.88	4.33	-43.34
C#CCOC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026476	0	41	0.0	-33.51	335.06	7.88	-25.63
CCNC(=O)COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1OC	REAL300012026477	0	53	0.0	-51.67	423.29	6.61	-45.06
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C2OCOC2=C1	REAL300012026478	0	42	0.0	-44.60	338.13	5.11	-39.49
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012026479	1	41	0.0	-47.34	340.96	6.96	-40.38
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C=C1OC)CC(C)O2	REAL300012026480	0	47	0.0	-36.22	367.55	7.14	-29.08
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OCC(N)=O)C(OC)=C1	REAL300012026481	0	51	0.0	-50.47	413.03	4.13	-46.34
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C(OCC(N)=O)C(OC)=C1	REAL300012026482	0	47	0.0	-50.85	399.78	4.99	-45.86
CCN(C(C)=O)C1=NC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CS1	REAL300012026483	1	44	0.0	-52.03	361.63	7.04	-44.99
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C=CC=C1OC	REAL300012026484	0	43	0.0	-38.58	343.21	5.90	-32.68
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(I)=C1	REAL300012026485	0	35	0.0	-35.00	310.32	8.26	-26.74
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(I)C=C1	REAL300012026486	0	35	0.0	-44.57	314.30	8.27	-36.30
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC)S1	REAL300012026487	0	36	0.0	-43.48	320.41	7.50	-35.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012026488	0	45	0.0	-47.57	374.63	8.02	-39.55
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C1=CC=CC=C1C	REAL300012026489	0	48	0.0	-35.39	369.82	10.78	-24.61
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(S(C)(=O)=O)C=C1	REAL300012026490	0	41	0.0	-52.31	347.22	4.69	-47.62
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012026491	0	45	0.0	-45.18	377.46	11.11	-34.07
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OC	REAL300012026492	0	39	0.0	-40.62	331.85	7.03	-33.59
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)C(C(=O)OC)=C1	REAL300012026493	0	42	0.0	-38.00	341.91	7.37	-30.63
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012026494	0	48	0.0	-38.48	386.58	8.76	-29.72
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=N1	REAL300012026495	0	34	0.0	-41.19	298.83	5.94	-35.25
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012026496	0	44	0.0	-45.58	360.57	4.49	-41.09
C#CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026497	0	44	0.0	-44.92	365.17	8.72	-36.20
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C2C(=C1)C(C)=NN2C	REAL300012026498	0	43	0.0	-45.40	348.82	6.90	-38.50
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012026499	0	38	0.0	-43.30	326.24	8.18	-35.12
CCOCC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC=C1OC	REAL300012026500	0	49	0.0	-39.85	386.13	7.38	-32.47
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012026501	0	38	0.0	-41.41	319.75	6.65	-34.76
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012026502	0	44	0.0	-42.56	373.44	6.63	-35.93
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(F)(F)F)=CC=C1Br	REAL300012026503	0	38	0.0	-42.28	340.22	8.74	-33.54
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1C(F)(F)F	REAL300012026504	0	38	0.0	-30.65	328.75	8.63	-22.02
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1Br	REAL300012026505	0	35	0.0	-38.08	309.92	7.70	-30.38
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC=C1Br	REAL300012026506	0	32	0.0	-30.98	290.77	6.69	-24.29
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC(C)C	REAL300012026507	0	48	0.0	-32.07	371.86	8.81	-23.26
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012026508	0	41	0.0	-40.25	335.05	6.92	-33.33
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012026509	0	35	0.0	-38.14	310.20	7.86	-30.28
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012026510	0	40	0.0	-40.71	323.49	7.66	-33.05
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1Br	REAL300012026511	0	35	0.0	-32.51	304.52	7.75	-24.76
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Br)=C1F	REAL300012026512	0	35	0.0	-33.57	308.66	7.82	-25.75
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(C)(C)C)N=C1	REAL300012026513	0	45	0.0	-47.04	358.15	7.14	-39.90
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(S(C)=O)C=C1	REAL300012026514	0	40	0.0	-52.84	338.74	5.76	-47.08
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012026515	0	45	0.0	-35.34	345.18	9.67	-25.67
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OC)=C1C	REAL300012026516	0	46	0.0	-44.96	360.26	7.06	-37.90
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012026517	0	32	0.0	-40.92	307.86	7.18	-33.74
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012026518	0	34	0.0	-40.87	308.60	5.58	-35.29
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(S(C)(=O)=O)=C1	REAL300012026519	0	41	0.0	-44.20	343.24	4.68	-39.52
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012026520	0	48	0.0	-35.44	366.09	10.36	-25.08
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012026521	0	42	0.0	-31.48	338.82	8.79	-22.69
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1CCCC1	REAL300012026522	0	45	0.0	-36.06	348.67	7.67	-28.39
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2C=C1OC	REAL300012026523	0	45	0.0	-34.05	356.38	8.81	-25.24
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012026524	0	38	0.0	-45.88	320.69	8.10	-37.78
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=C(OC)N=C1C	REAL300012026525	0	44	0.0	-44.29	347.34	4.93	-39.36
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1OC	REAL300012026526	0	39	0.0	-31.47	324.76	6.94	-24.53
CCC1=CC(OC)=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026527	0	45	0.0	-34.39	343.05	7.68	-26.71
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C)N1C1=CC=CC=C1	REAL300012026528	0	45	0.0	-42.47	365.56	9.45	-33.02
CCCN1N=C(C)C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1C	REAL300012026529	0	47	0.0	-44.59	370.70	7.54	-37.05
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012026530	0	45	0.0	-41.83	352.28	9.76	-32.07
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2C(OC)=C1	REAL300012026531	0	45	0.0	-38.19	357.02	8.77	-29.42
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1F	REAL300012026532	0	42	0.0	-43.45	340.13	7.47	-35.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C(OC)C=CC=C12	REAL300012026533	0	45	0.0	-43.45	356.22	8.68	-34.77
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C#N)C(OC)=C1	REAL300012026534	0	40	0.0	-44.33	332.26	6.88	-37.45
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1=CC=CC=C1C	REAL300012026535	0	45	0.0	-44.07	360.74	9.04	-35.03
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012026536	1	34	0.0	-36.23	307.89	5.48	-30.75
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012026537	0	42	0.0	-46.98	350.89	5.48	-41.50
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C=C1Br	REAL300012026538	0	39	0.0	-32.69	328.47	6.99	-25.70
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Br)C=C(C)S1	REAL300012026539	0	35	0.0	-31.35	314.08	7.61	-23.74
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(=O)OC(C)(C)C)=C1	REAL300012026540	0	50	0.0	-36.63	392.24	9.87	-26.76
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1SC(C)C	REAL300012026541	0	45	0.0	-36.93	376.19	9.86	-27.07
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2C(=C1)CCC(=O)N2C	REAL300012026542	0	46	0.0	-42.13	358.41	8.06	-34.07
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1SC1=CC=CC(OC)=C1	REAL300012026543	0	50	0.0	-39.61	411.65	10.47	-29.14
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=CC=C1OC(F)F	REAL300012026544	0	42	0.0	-41.88	346.29	7.47	-34.41
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012026545	0	41	0.0	-38.31	364.28	8.72	-29.59
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012026546	0	41	0.0	-40.37	352.07	8.43	-31.94
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=C2C)=CC=C1OC	REAL300012026547	0	52	0.0	-40.33	410.70	10.61	-29.72
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012026548	0	46	0.0	-39.97	385.01	9.55	-30.42
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OCC(F)F)C(OC)=C1	REAL300012026549	0	50	0.0	-45.66	409.31	7.53	-38.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012026550	0	40	0.0	-40.67	338.49	8.13	-32.54
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012026551	0	44	0.0	-36.78	354.43	7.80	-28.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012026552	0	41	0.0	-46.78	359.72	8.42	-38.36
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(C)C)S1	REAL300012026553	0	40	0.0	-36.88	331.50	6.48	-30.40
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012026554	0	38	0.0	-46.71	334.33	6.27	-40.44
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012026555	0	35	0.0	-40.68	318.67	8.24	-32.44
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012026556	0	47	0.0	-38.05	392.12	9.68	-28.37
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CN(C)N=C2)C=C1	REAL300012026557	0	45	0.0	-47.46	366.66	8.47	-38.99
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012026558	0	38	0.0	-39.73	318.74	6.17	-33.56
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012026559	0	46	0.0	-46.78	382.46	10.12	-36.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC=C(F)C=C1	REAL300012026560	0	45	0.0	-38.24	353.32	8.13	-30.11
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC=C(C#N)C=C1	REAL300012026561	0	46	0.0	-40.84	367.68	8.45	-32.39
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)N(C)C)N1	REAL300012026562	0	43	0.0	-40.60	338.97	5.40	-35.20
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(N)=O)=CS1	REAL300012026563	0	36	0.0	-48.38	313.24	3.05	-45.33
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)N=C1	REAL300012026564	0	49	0.0	-39.10	391.97	10.49	-28.61
CCC1=NN(C)C(CC)=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026565	0	47	0.0	-41.99	361.03	7.40	-34.59
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012026566	0	41	0.0	-43.17	341.08	7.29	-35.88
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012026567	0	42	0.0	-39.60	346.59	5.39	-34.21
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2C)N=N1	REAL300012026568	1	44	0.0	-49.46	355.68	7.72	-41.74
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=NN1C	REAL300012026569	0	35	0.0	-46.96	308.86	5.22	-41.74
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CN(C)N=C2)S1	REAL300012026570	0	42	0.0	-40.42	356.50	7.85	-32.57
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012026571	0	47	0.0	-46.74	365.61	8.07	-38.67
CCOC1=C(Cl)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026572	0	42	0.0	-33.10	344.40	7.99	-25.11
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012026573	0	35	0.0	-46.74	319.46	8.17	-38.57
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1=CC=CC=C1OC	REAL300012026574	0	46	0.0	-44.80	372.40	7.55	-37.25
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012026575	0	39	0.0	-34.70	332.52	7.04	-27.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012026576	0	42	0.0	-45.35	349.40	8.15	-37.20
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C=C1C1=CN(C)N=C1	REAL300012026577	0	48	0.0	-31.94	372.27	8.91	-23.03
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C=C1C1=CC=NN1C	REAL300012026578	0	48	0.0	-33.00	373.68	8.61	-24.39
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(C(C)C)S1	REAL300012026579	0	40	0.0	-33.62	330.68	6.47	-27.15
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012026580	0	45	0.0	-39.75	380.09	9.38	-30.37
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C(C)C=C1Br	REAL300012026581	0	38	0.0	-40.38	336.29	8.81	-31.57
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012026582	0	45	0.0	-41.54	385.86	9.15	-32.39
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(C(C)(C)C)S1	REAL300012026583	0	43	0.0	-33.49	348.88	6.96	-26.53
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(CCC#N)N=C1C1=CC=NC=C1	REAL300012026584	0	48	0.0	-50.96	396.23	7.94	-43.02
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012026585	0	41	0.0	-39.70	345.56	10.84	-28.86
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(=O)OC)=C(C)N1C	REAL300012026586	0	45	0.0	-38.56	359.78	7.64	-30.92
COCCCN1N=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026587	0	45	0.0	-46.52	364.35	5.47	-41.05
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=C(C)C=C1Cl	REAL300012026588	0	38	0.0	-38.08	327.30	8.28	-29.80
COCCOCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026589	0	49	0.0	-45.97	397.07	7.13	-38.84
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(CSC)S1	REAL300012026590	0	38	0.0	-42.25	337.95	6.33	-35.92
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012026591	0	35	0.0	-30.68	299.46	7.05	-23.63
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C2=CC=CC(Cl)=C2S1	REAL300012026592	0	41	0.0	-44.54	357.18	9.70	-34.84
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012026593	0	49	0.0	-46.60	405.97	9.58	-37.02
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C=C1I	REAL300012026594	0	35	0.0	-31.84	307.86	8.14	-23.70
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012026595	0	38	0.0	-44.54	322.18	6.26	-38.28
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=C(C)C=C1F	REAL300012026596	0	38	0.0	-34.46	314.57	7.89	-26.57
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC=C(C)O1	REAL300012026597	0	45	0.0	-37.74	366.29	7.49	-30.25
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012026598	0	34	0.0	-43.77	314.80	6.42	-37.35
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC(F)F)=CC=C1Br	REAL300012026599	0	39	0.0	-43.28	340.38	7.29	-35.99
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNC(C(=O)OC)=C1C	REAL300012026600	0	42	0.0	-38.24	340.83	6.13	-32.11
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=C(C)C(C)=C2)S1	REAL300012026601	0	47	0.0	-44.84	389.92	9.41	-35.43
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2F)N=C1C	REAL300012026602	0	45	0.0	-49.91	370.17	9.08	-40.83
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2Cl)N=C1C	REAL300012026603	0	45	0.0	-47.76	377.88	9.62	-38.14
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(C)C=C2)N=C1C	REAL300012026604	0	48	0.0	-38.86	382.46	9.63	-29.23
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(C)(C)C#N)C=C1	REAL300012026605	0	45	0.0	-47.88	363.13	9.13	-38.75
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012026606	0	41	0.0	-38.52	332.69	6.83	-31.69
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=C(OC)C=C1OC	REAL300012026607	0	43	0.0	-43.96	350.49	5.89	-38.07
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OC)C=C1F	REAL300012026608	0	43	0.0	-45.90	350.08	6.44	-39.46
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300012026609	0	49	0.0	-37.40	403.94	10.68	-26.72
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC(C)=C2)N=C1C	REAL300012026610	0	48	0.0	-46.62	386.38	9.63	-36.99
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C(C)=C1	REAL300012026611	0	48	0.0	-35.05	367.57	8.75	-26.30
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012026612	0	37	0.0	-41.55	314.67	6.91	-34.64
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012026613	0	38	0.0	-46.17	335.70	8.31	-37.86
CCC1=C2OC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC2=CC=C1	REAL300012026614	0	44	0.0	-45.54	357.68	9.14	-36.40
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012026615	0	43	0.0	-42.58	352.65	8.19	-34.39
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C(C)=C1	REAL300012026616	0	45	0.0	-42.27	352.65	8.01	-34.26
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012026617	0	39	0.0	-34.51	326.70	6.87	-27.64
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012026618	0	39	0.0	-43.90	331.28	6.86	-37.04
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012026619	0	48	0.0	-34.91	366.72	10.38	-24.53
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CN(C)N=C1	REAL300012026620	0	45	0.0	-45.81	363.27	6.20	-39.61
COCC1=CSC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1	REAL300012026621	0	39	0.0	-43.46	332.42	6.01	-37.45
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012026622	0	41	0.0	-39.40	364.29	8.72	-30.68
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012026623	0	35	0.0	-37.02	313.16	7.31	-29.71
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012026624	0	35	0.0	-47.25	308.45	6.54	-40.71
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012026625	0	35	0.0	-31.22	299.45	7.14	-24.08
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(F)=C1N(C)C	REAL300012026626	0	43	0.0	-43.92	346.61	7.22	-36.70
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012026627	0	35	0.0	-40.99	311.75	7.66	-33.33
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C(OC(C)C)C=C1Cl	REAL300012026628	0	45	0.0	-42.55	383.71	9.06	-33.49
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012026629	0	47	0.0	-38.99	368.57	6.88	-32.11
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=C(N(C)C)C=C1F	REAL300012026630	0	43	0.0	-44.59	351.87	6.77	-37.82
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(=O)OC)=C2CCCCN12	REAL300012026631	0	49	0.0	-37.81	384.20	8.91	-28.90
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012026632	0	35	0.0	-50.26	303.60	7.36	-42.90
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=CC(C(F)(F)F)=C1	REAL300012026633	0	42	0.0	-39.66	351.05	7.49	-32.17
C=CCOC1=C(Cl)C=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1OC	REAL300012026634	0	47	0.0	-42.55	395.95	8.54	-34.01
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OC2CC2)=C1	REAL300012026635	0	47	0.0	-40.29	372.11	8.06	-32.23
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(F)(F)F)=NN1C	REAL300012026636	0	38	0.0	-48.60	328.74	5.76	-42.84
COCC(C)OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026637	0	49	0.0	-46.22	388.86	7.39	-38.83
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300012026638	0	49	0.0	-41.63	406.68	10.74	-30.89
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012026639	0	42	0.0	-44.26	353.89	9.79	-34.47
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012026640	0	48	0.0	-36.08	377.77	9.29	-26.79
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012026641	0	42	0.0	-34.10	356.44	8.05	-26.05
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(C(C)(C)C)=C1	REAL300012026642	0	51	0.0	-36.95	383.21	9.15	-27.80
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012026643	0	48	0.0	-35.39	373.60	10.68	-24.71
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C=CC=C1OC(F)(F)F	REAL300012026644	0	43	0.0	-31.86	355.36	6.38	-25.48
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=C(Br)C=N1	REAL300012026645	0	37	0.0	-40.75	317.30	6.53	-34.22
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=C(F)C=C1Br	REAL300012026646	0	38	0.0	-42.77	327.55	8.42	-34.35
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(O)C=CC=C1Br	REAL300012026647	0	36	0.0	-38.18	314.31	4.88	-33.30
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CN(C)N=C2)=N1	REAL300012026648	0	41	0.0	-45.39	352.05	5.75	-39.64
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(OC)=C1	REAL300012026649	0	39	0.0	-39.21	328.08	7.02	-32.19
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1CC1CCC1	REAL300012026650	0	45	0.0	-44.17	357.34	7.71	-36.46
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012026651	1	41	0.0	-49.15	341.86	7.08	-42.07
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012026652	0	41	0.0	-32.27	329.89	8.66	-23.61
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1Br	REAL300012026653	0	35	0.0	-43.03	306.16	5.43	-37.60
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(NC(C)=O)=C1	REAL300012026654	0	42	0.0	-43.52	338.50	6.10	-37.42
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C2C(=C1)C=NN2C	REAL300012026655	0	40	0.0	-42.43	326.85	6.30	-36.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(Br)C=C1F	REAL300012026656	0	34	0.0	-35.45	304.19	5.96	-29.49
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(OC)C=C1Cl	REAL300012026657	0	43	0.0	-44.50	357.49	6.87	-37.63
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012026658	0	41	0.0	-45.15	347.51	8.95	-36.20
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(CNC(=O)OC(C)(C)C)=C1	REAL300012026659	0	55	0.0	-41.28	430.44	7.61	-33.67
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C2CCCCC2=NN1C	REAL300012026660	0	45	0.0	-38.01	346.74	7.16	-30.85
CCOC(=O)C1=C(C)C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C(C)N1	REAL300012026661	0	48	0.0	-47.41	386.60	7.56	-39.85
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012026662	0	34	0.0	-42.39	300.14	5.86	-36.53
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012026663	0	45	0.0	-37.24	375.57	11.14	-26.10
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012026664	0	35	0.0	-48.97	317.90	7.91	-41.06
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Br)SC=C1	REAL300012026665	0	32	0.0	-35.72	290.48	6.83	-28.89
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C(F)C=C1OC	REAL300012026666	0	46	0.0	-45.46	371.57	7.34	-38.12
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CN=C1OC	REAL300012026667	0	38	0.0	-34.09	329.65	4.53	-29.56
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012026668	0	41	0.0	-36.69	327.78	9.32	-27.37
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CN=C1Br	REAL300012026669	0	34	0.0	-44.75	295.91	5.83	-38.92
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(Br)C=C1F	REAL300012026670	0	39	0.0	-46.07	341.27	7.21	-38.86
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012026671	0	35	0.0	-32.19	314.57	8.18	-24.01
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012026672	0	39	0.0	-33.04	332.94	7.06	-25.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1OC(C)C	REAL300012026673	0	45	0.0	-40.19	361.22	8.17	-32.02
CCOC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1	REAL300012026674	0	42	0.0	-38.24	340.26	7.47	-30.77
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012026675	0	49	0.0	-42.02	378.30	8.20	-33.82
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012026676	0	39	0.0	-36.38	327.49	6.76	-29.62
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC(C)(C)C)=C1	REAL300012026677	0	48	0.0	-35.41	363.15	8.28	-27.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(OC)=C(C)C=C1F	REAL300012026678	0	42	0.0	-43.24	340.93	7.28	-35.96
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C(Br)=C1C	REAL300012026679	0	41	0.0	-41.70	337.58	8.89	-32.81
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC=CC(C)=C1Br	REAL300012026680	1	37	0.0	-38.11	318.17	6.43	-31.68
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)C=C1	REAL300012026681	0	52	0.0	-46.65	408.70	7.41	-39.24
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC(F)=CC=C1F	REAL300012026682	0	45	0.0	-37.10	371.62	8.36	-28.74
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC(C(C)(C)C)=CS1	REAL300012026683	0	43	0.0	-33.58	348.12	6.89	-26.69
COCCC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)S1	REAL300012026684	0	41	0.0	-44.96	348.39	4.96	-40.00
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012026687	1	36	0.0	-38.55	304.71	4.52	-34.03
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1	REAL300012026688	0	45	0.0	-35.23	388.43	8.89	-26.34
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C2CSCCC2=NN1C	REAL300012026689	0	43	0.0	-41.28	346.95	6.83	-34.45
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C(C2=CC=CC=C2)=N1	REAL300012026690	0	48	0.0	-46.00	380.36	9.20	-36.80
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012026691	0	43	0.0	-35.96	329.24	7.12	-28.84
COCC1=C(C)C=C(C)C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1C	REAL300012026692	0	51	0.0	-40.10	387.52	8.37	-31.73
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012026693	0	37	0.0	-48.09	310.31	7.71	-40.38
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012026694	0	46	0.0	-32.68	389.25	10.55	-22.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC=C1C	REAL300012026695	0	49	0.0	-39.03	410.41	11.25	-27.78
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1	REAL300012026696	0	46	0.0	-41.71	398.54	10.68	-31.03
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C(C)S1	REAL300012026697	0	35	0.0	-35.85	314.09	7.62	-28.23
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012026698	0	45	0.0	-45.06	377.47	11.10	-33.96
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012026699	0	40	0.0	-45.78	322.61	7.42	-38.36
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1I	REAL300012026700	0	35	0.0	-31.21	307.66	8.14	-23.07
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1C	REAL300012026701	0	48	0.0	-36.66	375.47	8.94	-27.72
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012026702	0	39	0.0	-44.10	318.59	5.59	-38.51
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(COC2=CC=CC=C2)=C1	REAL300012026703	0	53	0.0	-41.68	420.49	9.89	-31.79
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(CN2C=CC=N2)=C1	REAL300012026704	0	49	0.0	-38.60	394.76	8.15	-30.45
CCOC1=CC=CC(F)=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026705	0	42	0.0	-39.02	341.86	7.49	-31.53
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=CC(Br)=C1F	REAL300012026706	0	38	0.0	-44.35	329.44	8.32	-36.03
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC([N+](=O)[O-])=C1C	REAL300012026707	0	40	0.0	-39.25	315.79	8.15	-31.10
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=CC([N+](=O)[O-])=C1C	REAL300012026708	0	43	0.0	-47.96	343.40	8.73	-39.23
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=C(OC)C=C2)N=N1	REAL300012026709	1	48	0.0	-51.91	390.21	6.81	-45.10
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OC)=C1F	REAL300012026710	0	43	0.0	-45.24	354.96	6.53	-38.71
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)OC)C=C1F	REAL300012026711	0	41	0.0	-38.00	343.01	7.84	-30.16
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012026712	0	45	0.0	-44.94	373.29	7.56	-37.38
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012026713	0	49	0.0	-40.11	393.81	10.44	-29.67
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012026714	0	42	0.0	-34.96	340.40	7.66	-27.30
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1	REAL300012026715	0	46	0.0	-43.39	394.63	10.31	-33.08
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC1=CC=C(C)C=C1OC	REAL300012026716	0	53	0.0	-38.56	424.88	10.58	-27.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012026717	0	46	0.0	-41.79	397.03	10.59	-31.20
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C2=CC=CC=C2C)N=C1C	REAL300012026718	0	51	0.0	-36.88	397.89	10.16	-26.72
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=C(C#N)C=C1C	REAL300012026719	0	42	0.0	-46.76	341.31	8.58	-38.18
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012026720	0	41	0.0	-44.62	368.10	8.49	-36.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=C(OC)C=C2)=N1	REAL300012026721	0	45	0.0	-41.32	376.77	7.28	-34.04
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C)NN=C2N=C1	REAL300012026723	0	40	0.0	-56.44	329.97	5.70	-50.74
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1	REAL300012026724	0	43	0.0	-40.38	359.56	3.78	-36.60
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NN(C)C2=CC=CC=C21	REAL300012026725	0	41	0.0	-40.77	332.49	7.09	-33.68
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N=C(Cl)N1C	REAL300012026726	0	35	0.0	-47.28	319.98	6.47	-40.81
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012026727	0	40	0.0	-39.33	320.28	7.46	-31.87
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N=C2C=CC=CN21	REAL300012026728	0	41	0.0	-46.84	333.01	8.14	-38.70
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC(C)(C)CN(C)CC1=CC=CC=C1	REAL300012026729	1	55	0.0	-35.45	403.75	9.48	-25.97
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1	REAL300012026730	0	49	0.0	-42.24	411.82	10.56	-31.68
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012026731	0	41	0.0	-40.90	338.73	5.40	-35.50
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N=C2SC(C)=NN21	REAL300012026732	0	40	0.0	-44.02	341.25	6.36	-37.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C(C)C)N=C2SC(C)=NN21	REAL300012026733	0	46	0.0	-42.74	382.86	7.64	-35.10
CCCC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C1=CC=CC=C1	REAL300012026734	0	47	0.0	-35.74	359.62	9.88	-25.86
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012026735	0	40	0.0	-38.77	340.29	8.11	-30.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012026736	0	35	0.0	-46.48	317.39	7.48	-39.00
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C=C1OCC1=CC=CN=C1	REAL300012026737	0	52	0.0	-43.01	420.84	8.03	-34.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012026738	0	37	0.0	-42.28	339.49	7.23	-35.05
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N(C)C)C=C1C(F)(F)F	REAL300012026739	0	46	0.0	-38.72	365.50	8.51	-30.21
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC(C)=CC1=CC=CC=C1C(F)(F)F	REAL300012026740	0	45	0.0	-34.75	363.75	9.78	-24.97
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C2=CC=CC=N2)N=C1C	REAL300012026741	0	44	0.0	-41.61	373.69	8.81	-32.80
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012026742	0	54	0.0	-44.27	423.57	10.67	-33.60
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012026743	0	38	0.0	-44.02	342.45	8.51	-35.51
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1	REAL300012026744	1	41	0.0	-52.29	355.55	7.66	-44.63
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012026745	0	38	0.0	-45.93	330.84	8.29	-37.64
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC(C)=CC1=CC=CC=C1OC(F)F	REAL300012026746	0	46	0.0	-38.34	369.03	8.60	-29.74
COCC1=CC=CC=C1C=C(C)C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026747	0	49	0.0	-37.89	380.53	8.76	-29.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C1=CC=NN1C	REAL300012026748	0	45	0.0	-33.02	348.83	7.84	-25.18
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012026749	0	44	0.0	-38.81	356.59	8.83	-29.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(OC)C=C2)N=C1	REAL300012026750	0	46	0.0	-39.83	370.87	7.68	-32.15
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N(C)CC2=CC=CS2)C=C1	REAL300012026751	0	50	0.0	-42.70	408.34	10.58	-32.12
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012026752	0	37	0.0	-46.16	321.96	5.14	-41.02
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NC=C1Br	REAL300012026753	0	34	0.0	-40.53	298.20	5.94	-34.59
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(S(C)(=O)=O)S1	REAL300012026754	0	38	0.0	-48.43	335.62	3.85	-44.58
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012026755	0	55	0.0	-36.17	423.97	11.24	-24.93
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012026756	0	41	0.0	-34.23	332.87	7.78	-26.45
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1F	REAL300012026757	0	40	0.0	-42.77	342.47	2.14	-40.63
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=CC(Br)=C1C	REAL300012026758	0	37	0.0	-44.31	314.95	6.53	-37.78
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C(F)(F)F)C=NN1C	REAL300012026759	0	38	0.0	-46.61	323.76	5.74	-40.87
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C2CCC2)C=NN1C	REAL300012026760	0	45	0.0	-44.54	354.04	7.32	-37.22
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C)C=CC=C2N1	REAL300012026761	0	42	0.0	-45.26	339.36	7.76	-37.50
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012026762	0	41	0.0	-46.32	338.04	6.32	-40.00
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=C(C)C=C2N1	REAL300012026763	0	42	0.0	-44.87	339.78	7.77	-37.10
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012026764	0	46	0.0	-46.02	362.18	5.79	-40.23
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012026765	0	38	0.0	-52.54	319.51	4.66	-47.88
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012026766	0	37	0.0	-39.96	310.57	6.29	-33.67
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C#N)=CC=C1N(C)C	REAL300012026767	0	44	0.0	-44.77	359.10	7.58	-37.19
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012026768	1	45	0.0	-51.29	354.76	4.63	-46.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC=CC1=C(C)C=C(C)C=C1C	REAL300012026769	0	48	0.0	-44.46	376.56	10.31	-34.15
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012026770	0	55	0.0	-45.76	426.80	6.05	-39.71
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC(CC(F)F)NC(=O)OC(C)(C)C	REAL300012026771	0	51	0.0	-45.44	392.78	6.00	-39.44
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012026772	1	45	0.0	-50.86	361.91	4.77	-46.09
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1N(C)C	REAL300012026773	0	43	0.0	-40.06	344.91	7.23	-32.83
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012026774	0	40	0.0	-51.55	334.32	7.62	-43.93
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC=CC1=CC(C)=C(C)C=C1C	REAL300012026775	0	48	0.0	-37.35	369.46	10.19	-27.16
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1	REAL300012026776	0	40	0.0	-52.56	340.76	2.13	-50.43
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012026777	0	44	0.0	-31.52	333.59	7.68	-23.84
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C(C)=NN1C	REAL300012026778	0	38	0.0	-39.81	321.61	5.82	-33.99
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=NN(C)C=C2)=N1	REAL300012026779	0	41	0.0	-50.17	356.14	5.65	-44.52
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1CCCC1	REAL300012026780	0	48	0.0	-36.76	370.90	8.06	-28.70
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C)=C1Br	REAL300012026781	0	38	0.0	-30.82	317.01	8.28	-22.54
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012026782	0	46	0.0	-40.93	378.35	10.09	-30.84
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012026783	0	43	0.0	-38.15	336.19	7.81	-30.34
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(=O)N(C)C)=C1	REAL300012026784	0	45	0.0	-38.93	355.33	7.04	-31.89
CCC1=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C(Cl)=NN1	REAL300012026785	0	38	0.0	-39.85	320.60	5.29	-34.56
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012026786	0	39	0.0	-31.80	328.85	6.13	-25.67
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=NC2=C1CCCC2	REAL300012026787	0	47	0.0	-37.38	355.12	8.34	-29.04
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012026788	0	50	0.0	-30.44	369.50	9.00	-21.44
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012026789	1	34	0.0	-45.30	308.19	5.28	-40.02
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012026790	0	38	0.0	-46.89	321.97	8.14	-38.75
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)OC)C(C)=C1	REAL300012026791	0	44	0.0	-41.99	353.31	8.36	-33.63
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(C)=C1Cl	REAL300012026792	0	38	0.0	-39.81	332.05	8.63	-31.18
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C#N)=CC=C1Br	REAL300012026793	0	36	0.0	-46.35	321.92	8.12	-38.23
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OC(C)CC2=C1	REAL300012026794	0	43	0.0	-45.18	343.42	7.75	-37.43
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012026795	0	38	0.0	-37.66	314.24	4.67	-32.99
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CSC)C=C1	REAL300012026796	0	42	0.0	-43.93	352.65	9.06	-34.87
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012026797	0	45	0.0	-36.67	354.78	7.92	-28.75
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C2COCCC2=NN1C	REAL300012026798	0	43	0.0	-41.10	337.82	4.77	-36.33
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC(C)C(=O)OC	REAL300012026799	0	48	0.0	-33.86	379.57	8.48	-25.38
COC(=O)COC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026800	0	45	0.0	-34.30	363.57	7.94	-26.36
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C2C(=CC=C1)N=CN2C	REAL300012026801	0	41	0.0	-45.31	322.44	8.26	-37.05
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)N(C)C)C=C1	REAL300012026802	0	45	0.0	-51.69	358.03	7.01	-44.68
CCNC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026803	0	45	0.0	-50.64	364.49	6.30	-44.34
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(C)(C)C	REAL300012026804	0	47	0.0	-36.21	339.83	9.26	-26.95
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C2CCCCCN12	REAL300012026805	0	45	0.0	-35.42	338.61	7.56	-27.86
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(OC)=CC=C2S1	REAL300012026806	0	42	0.0	-39.57	349.47	7.99	-31.58
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026807	0	51	0.0	-50.48	398.52	8.88	-41.60
CCN1CCC2=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC=C21	REAL300012026808	0	47	0.0	-43.47	365.83	7.79	-35.68
CCN(C)C(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012026809	0	48	0.0	-53.67	379.67	8.03	-45.64
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC)C(Cl)=C1	REAL300012026810	0	39	0.0	-41.46	337.77	8.63	-32.83
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CC2)C(C)=C1	REAL300012026811	0	45	0.0	-35.74	348.96	9.79	-25.95
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C(C2CC2)=C1	REAL300012026812	0	45	0.0	-35.67	348.92	9.80	-25.87
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CC(C)=N2)C=C1C	REAL300012026813	0	48	0.0	-38.95	375.00	9.50	-29.45
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012026814	0	41	0.0	-46.58	357.73	9.05	-37.53
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=C(Cl)C=N2)C=C1C	REAL300012026815	0	45	0.0	-37.78	370.20	9.42	-28.36
CCC1=CC(Br)=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)S1	REAL300012026816	0	38	0.0	-31.18	335.57	8.39	-22.79
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=C(Cl)C(C)=N2)C=C1	REAL300012026817	0	45	0.0	-39.87	379.45	9.45	-30.42
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C=C(C(=O)OC)N2)O1	REAL300012026818	0	42	0.0	-46.75	351.13	5.96	-40.79
COCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)O1	REAL300012026819	0	43	0.0	-40.81	351.78	5.92	-34.89
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC(C)(C)C1=CC=C(Br)C=C1	REAL300012026820	0	44	0.0	-36.30	351.90	9.49	-26.81
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C(C)C)N=C1C	REAL300012026821	0	47	0.0	-44.35	368.94	7.46	-36.89
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012026822	0	35	0.0	-37.57	320.52	8.29	-29.28
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C1=CC=C(C)C=C1C	REAL300012026823	0	51	0.0	-36.88	399.68	11.84	-25.04
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC(C2=CC=CC(OC)=C2)=CS1	REAL300012026824	0	45	0.0	-43.66	379.11	7.23	-36.43
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1	REAL300012026825	0	55	0.0	-47.31	434.42	7.63	-39.68
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(=O)OC)=C2COCCN12	REAL300012026826	0	47	0.0	-38.59	375.92	6.52	-32.07
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012026827	0	52	0.0	-51.61	399.65	9.06	-42.55
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CN=C2)C=C1C	REAL300012026828	0	45	0.0	-39.98	350.64	10.09	-29.89
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012026829	0	38	0.0	-48.00	348.77	9.02	-38.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012026830	0	39	0.0	-34.96	338.53	5.96	-29.00
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012026831	0	45	0.0	-41.08	354.83	3.62	-37.46
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NC(OC)=C1F	REAL300012026832	0	38	0.0	-44.92	319.58	3.93	-40.99
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012026833	0	35	0.0	-37.00	318.65	8.08	-28.92
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012026834	0	35	0.0	-48.71	317.31	7.88	-40.83
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)OC(C(C)(C)C)=C1	REAL300012026835	0	47	0.0	-42.30	370.56	8.72	-33.58
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012026836	1	44	0.0	-49.53	360.70	7.51	-42.02
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1	REAL300012026837	0	55	0.0	-42.33	406.32	8.19	-34.14
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(Br)C=C1C	REAL300012026838	0	37	0.0	-39.35	315.92	6.46	-32.89
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012026839	0	41	0.0	-41.11	356.43	5.09	-36.02
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2OC(C)C(C)C2=C1	REAL300012026840	0	46	0.0	-37.64	355.88	8.28	-29.36
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C)C(OC(F)F)=C1	REAL300012026841	0	42	0.0	-35.71	341.88	7.49	-28.22
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C(C)N=C1Cl	REAL300012026842	0	37	0.0	-43.76	333.57	6.95	-36.81
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1CC(C)C	REAL300012026843	0	47	0.0	-31.92	349.00	9.46	-22.46
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(S(C)(=O)=O)N(C)N=C1	REAL300012026844	1	41	0.0	-50.87	339.19	2.51	-48.36
CCOC1=CC(Br)=CC(F)=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026845	0	42	0.0	-39.07	363.15	8.11	-30.96
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C(C(F)(F)F)=NN1	REAL300012026846	0	38	0.0	-48.96	324.26	5.04	-43.92
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012026847	0	35	0.0	-49.72	307.59	4.51	-45.21
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(S(C)(=O)=O)SC=C1	REAL300012026848	1	38	0.0	-40.09	319.86	4.68	-35.41
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)SC(C)=C1Br	REAL300012026849	0	38	0.0	-34.50	331.24	8.13	-26.37
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC=CC(F)=C1	REAL300012026850	0	45	0.0	-44.14	365.22	8.38	-35.76
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012026851	0	42	0.0	-41.74	351.73	9.42	-32.32
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012026852	0	43	0.0	-37.06	342.87	8.16	-28.90
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012026853	0	39	0.0	-34.72	334.23	6.97	-27.75
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012026854	0	41	0.0	-36.17	353.75	9.04	-27.13
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CN=C2C)C=C1C	REAL300012026855	0	48	0.0	-40.38	374.47	10.18	-30.20
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=NC(C)=C2C)C=C1	REAL300012026856	0	48	0.0	-50.68	384.25	10.78	-39.90
CNC(=O)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1	REAL300012026857	0	42	0.0	-38.88	339.02	5.44	-33.44
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012026858	0	49	0.0	-35.25	377.44	11.20	-24.05
CCNC(=O)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1	REAL300012026860	0	45	0.0	-38.37	360.51	6.28	-32.09
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C2=CC(F)=CC=C2O1	REAL300012026861	0	41	0.0	-40.63	336.37	8.36	-32.27
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=C2)=NN1C	REAL300012026862	0	45	0.0	-40.01	362.59	8.31	-31.70
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=CC(C(C)(C)C)=C1	REAL300012026863	0	46	0.0	-36.48	353.94	7.66	-28.82
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012026864	0	38	0.0	-42.92	344.35	9.29	-33.63
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012026865	0	38	0.0	-44.89	324.82	6.24	-38.65
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012026866	0	45	0.0	-39.65	356.74	9.14	-30.51
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC2=C(CCCC2)N1C	REAL300012026867	0	45	0.0	-43.47	346.13	7.86	-35.61
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1	REAL300012026868	0	42	0.0	-43.43	356.39	7.62	-35.81
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)N=C1OC	REAL300012026869	0	38	0.0	-35.43	325.33	4.35	-31.08
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C(F)(F)F	REAL300012026870	0	38	0.0	-43.67	325.02	6.02	-37.65
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012026871	0	38	0.0	-35.86	321.14	8.10	-27.76
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1COCC2	REAL300012026872	0	43	0.0	-34.86	329.13	7.16	-27.70
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1C	REAL300012026873	0	48	0.0	-39.40	394.43	9.90	-29.50
CCOC1=CC=C(Cl)C=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012026874	0	42	0.0	-40.11	353.71	7.97	-32.14
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1	REAL300012026875	0	42	0.0	-37.77	345.25	7.40	-30.37
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC2=C(COCC2)S1	REAL300012026876	0	39	0.0	-41.91	325.95	4.51	-37.40
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012026877	0	42	0.0	-44.29	341.51	7.07	-37.22
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Br)C=CC=C1OC(F)F	REAL300012026878	0	39	0.0	-38.38	342.55	7.30	-31.08
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012026879	0	37	0.0	-46.21	317.11	7.92	-38.29
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012026880	0	48	0.0	-39.86	367.20	8.22	-31.64
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012026881	0	42	0.0	-37.15	356.50	8.62	-28.53
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012026882	0	35	0.0	-40.71	318.81	7.85	-32.86
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N(C)CCO)N=C1	REAL300012026883	0	46	0.0	-39.86	362.12	4.74	-35.12
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(C)(C)C)=C1OC	REAL300012026884	0	51	0.0	-37.95	378.96	8.97	-28.98
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC(Br)=CN1C	REAL300012026885	0	35	0.0	-45.98	303.90	6.01	-39.97
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(O)=C(OC)C=C1C	REAL300012026886	0	43	0.0	-45.18	341.53	4.92	-40.26
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012026887	0	41	0.0	-51.95	339.29	6.29	-45.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2N(C)C1=O	REAL300012026888	0	44	0.0	-49.86	353.38	7.95	-41.91
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=C(C)C(Br)=C1C	REAL300012026889	0	44	0.0	-41.85	356.84	9.28	-32.57
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012026890	0	42	0.0	-41.09	339.65	7.12	-33.97
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012026891	0	48	0.0	-41.69	377.64	10.69	-31.00
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)C(F)(F)OC)C=C1	REAL300012026892	0	45	0.0	-47.57	382.71	7.94	-39.63
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012026893	0	35	0.0	-41.61	313.33	7.72	-33.89
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(NC(=O)OC(C)(C)C)=C1	REAL300012026894	0	52	0.0	-40.03	404.22	7.45	-32.58
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012026895	0	39	0.0	-48.63	331.17	6.73	-41.90
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)OC=C1C(F)(F)F	REAL300012026896	0	38	0.0	-39.89	324.92	6.94	-32.95
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(C)(F)F)=C1	REAL300012026897	0	41	0.0	-36.79	335.75	8.69	-28.10
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012026898	0	41	0.0	-42.06	345.48	7.95	-34.11
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CN(C)N=C1	REAL300012026899	0	42	0.0	-46.53	342.93	5.04	-41.49
CCCN1N=C(C)C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1Cl	REAL300012026900	0	44	0.0	-33.33	364.00	7.44	-25.89
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(C)(C)C#N)S1	REAL300012026901	0	41	0.0	-42.61	349.23	6.49	-36.12
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C=CC(Br)=C1F	REAL300012026902	0	39	0.0	-32.47	336.60	7.15	-25.32
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=C(C#N)C=C1Br	REAL300012026903	0	36	0.0	-42.85	330.72	8.08	-34.77
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012026904	0	35	0.0	-42.82	299.74	7.35	-35.47
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012026905	0	42	0.0	-44.04	352.10	9.60	-34.44
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012026906	0	41	0.0	-43.24	344.17	9.82	-33.42
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012026907	0	35	0.0	-47.72	326.44	8.30	-39.42
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012026908	0	52	0.0	-38.65	397.18	10.07	-28.58
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012026909	0	46	0.0	-45.96	392.78	10.57	-35.39
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012026910	0	55	0.0	-35.05	410.05	10.57	-24.48
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012026911	0	49	0.0	-41.69	413.25	11.04	-30.65
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CC(OC)=C2)C=C1	REAL300012026912	0	50	0.0	-49.24	405.57	9.35	-39.89
CCN1CCCC2=CC(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=CC=C21	REAL300012026913	0	50	0.0	-36.16	371.41	8.31	-27.85
COCC1=CN=C(OC)C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=C1	REAL300012026914	0	45	0.0	-39.57	362.44	3.70	-35.87
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Br)N(C)N=C1	REAL300012026915	0	35	0.0	-35.43	305.45	5.37	-30.06
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CC=C2OC)C=C1	REAL300012026916	0	50	0.0	-49.80	405.31	9.93	-39.87
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(Br)=C1OC	REAL300012026917	0	39	0.0	-39.88	338.39	7.32	-32.56
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012026918	0	48	0.0	-39.37	387.39	11.98	-27.39
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012026919	0	39	0.0	-37.08	338.94	8.62	-28.46
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300012026920	0	49	0.0	-36.70	410.55	10.97	-25.73
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012026921	0	48	0.0	-40.19	375.74	7.84	-32.35
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1OC(F)F	REAL300012026922	0	39	0.0	-44.37	345.81	7.43	-36.94
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012026923	0	43	0.0	-37.08	336.21	7.26	-29.82
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C2=CC=C(F)C=C2S1	REAL300012026924	0	41	0.0	-39.93	343.25	9.27	-30.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012026925	0	41	0.0	-51.18	341.52	5.34	-45.84
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(OC)=C1OC	REAL300012026926	0	43	0.0	-36.22	346.89	6.44	-29.78
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C=C(OC)C2=CC=C(Cl)N=C21	REAL300012026927	0	48	0.0	-38.93	399.66	6.89	-32.04
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=NN(C)C=C1	REAL300012026928	0	42	0.0	-37.98	342.63	5.11	-32.87
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(C)=C1Br	REAL300012026929	0	38	0.0	-38.24	328.13	8.27	-29.97
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012026930	0	58	0.0	-32.03	432.54	11.36	-20.67
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012026931	0	49	0.0	-35.17	382.14	9.52	-25.65
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(C)(F)F	REAL300012026932	0	41	0.0	-37.54	326.54	8.57	-28.97
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCCO)C(OC)=C1	REAL300012026933	0	47	0.0	-43.89	374.52	4.20	-39.69
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C(C2CC2)=N1	REAL300012026934	0	45	0.0	-36.22	358.90	8.01	-28.21
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC)C(OCCO)=C1	REAL300012026935	0	47	0.0	-42.81	374.52	4.20	-38.61
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1=CC=NN1C	REAL300012026936	0	45	0.0	-36.75	366.01	6.00	-30.75
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012026937	0	40	0.0	-40.62	323.54	7.65	-32.97
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2CCCO2)C(OC)=C1	REAL300012026938	0	54	0.0	-43.98	420.23	7.79	-36.19
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C2OC(C)=CC2=CC=C1	REAL300012026939	0	41	0.0	-34.08	331.77	8.32	-25.76
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012026940	0	38	0.0	-43.31	316.36	8.06	-35.25
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012026941	0	42	0.0	-43.02	361.43	7.95	-35.07
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C(OC)=CS1	REAL300012026942	0	40	0.0	-35.49	335.32	5.22	-30.27
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012026943	0	44	0.0	-48.88	383.23	8.93	-39.95
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012026944	0	38	0.0	-32.58	326.63	6.31	-26.27
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(S(C)(=O)=O)C=CS1	REAL300012026945	1	38	0.0	-37.25	317.51	3.66	-33.59
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(S(C)(=O)=O)=CO1	REAL300012026946	0	38	0.0	-47.47	326.31	2.76	-44.71
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012026947	0	38	0.0	-35.49	326.97	8.19	-27.30
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(C)C)C(F)=C1	REAL300012026948	0	45	0.0	-43.61	358.16	8.10	-35.51
CCN1C=C(Cl)C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)=N1	REAL300012026949	1	38	0.0	-40.78	327.50	6.24	-34.54
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012026950	0	35	0.0	-48.72	313.05	7.78	-40.94
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012026951	0	38	0.0	-35.93	316.71	8.10	-27.83
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012026952	0	41	0.0	-41.01	337.20	9.43	-31.58
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(S(C)(=O)=O)=CS1	REAL300012026953	0	38	0.0	-49.68	338.75	3.77	-45.91
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(C2CCC2)N=C1	REAL300012026954	0	45	0.0	-45.02	354.20	7.64	-37.38
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012026955	0	42	0.0	-40.46	358.10	8.90	-31.56
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=NN1C1CCCC1	REAL300012026956	0	48	0.0	-36.19	370.61	8.25	-27.94
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NN1CC(F)F	REAL300012026957	0	38	0.0	-49.48	322.31	5.92	-43.56
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012026958	0	43	0.0	-32.60	362.43	8.82	-23.78
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC([N+](=O)[O-])=CC=C1N(C)C	REAL300012026959	0	45	0.0	-45.65	366.34	7.83	-37.82
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012026960	0	38	0.0	-42.50	324.29	8.41	-34.09
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012026961	0	35	0.0	-40.21	325.28	8.17	-32.04
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012026962	1	34	0.0	-41.50	301.06	5.79	-35.71
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012026963	0	42	0.0	-40.83	347.78	8.45	-32.38
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(F)C=NC=C1N(C)C	REAL300012026964	0	42	0.0	-31.56	336.37	5.26	-26.30
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N=C(OC)C(Cl)=C1C	REAL300012026965	0	44	0.0	-45.60	361.06	5.42	-40.18
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NN(C2=CC=CC=C2)N=C1C	REAL300012026966	1	44	0.0	-43.35	357.47	7.50	-35.85
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012026967	0	38	0.0	-41.41	319.93	6.03	-35.38
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012026968	0	39	0.0	-45.32	328.46	6.61	-38.71
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCCCC2)N=C1C	REAL300012026969	0	51	0.0	-43.56	390.81	8.80	-34.76
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012026970	0	46	0.0	-40.03	357.96	5.81	-34.22
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCOCC2)N=C1C	REAL300012026971	0	49	0.0	-44.68	381.59	6.40	-38.28
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012026972	0	40	0.0	-34.27	343.82	8.27	-26.00
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012026973	0	45	0.0	-39.63	346.79	7.45	-32.18
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(S(N)(=O)=O)=CS1	REAL300012026974	0	37	0.0	-50.23	332.66	1.19	-49.04
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012026975	0	34	0.0	-34.07	308.39	6.25	-27.82
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012026976	0	50	0.0	-42.55	386.85	6.65	-35.90
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCCC2)N=C1C	REAL300012026977	0	48	0.0	-43.67	371.84	8.20	-35.47
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(F)F	REAL300012026978	0	38	0.0	-34.45	305.76	7.91	-26.54
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C)=CC(Br)=C1F	REAL300012026979	0	38	0.0	-42.72	329.06	8.49	-34.23
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012026980	0	35	0.0	-47.68	326.59	8.31	-39.37
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC)=C1Br	REAL300012026981	0	39	0.0	-32.99	327.56	7.05	-25.94
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012026982	0	35	0.0	-49.05	313.48	7.80	-41.25
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CN(C)N=C2)=C1	REAL300012026983	0	45	0.0	-46.87	366.65	8.46	-38.41
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C(OC)C=C1F	REAL300012026984	0	39	0.0	-44.15	340.89	7.20	-36.95
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012026985	0	45	0.0	-46.81	368.85	9.60	-37.21
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC=C1C	REAL300012026986	0	38	0.0	-42.48	322.59	8.41	-34.07
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C#N)=C1OC	REAL300012026987	0	40	0.0	-35.67	323.23	6.90	-28.77
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2N=C(OC)SC2=C1	REAL300012026988	0	41	0.0	-40.34	346.95	4.99	-35.35
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=NC(Br)=C1	REAL300012026989	0	34	0.0	-38.95	298.89	5.91	-33.04
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012026990	0	35	0.0	-38.37	315.97	8.17	-30.20
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)N=C1C	REAL300012026991	0	37	0.0	-37.52	306.81	6.31	-31.21
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC(C)(C)C)=C1	REAL300012026992	0	51	0.0	-34.98	394.33	9.50	-25.48
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012026993	0	35	0.0	-40.72	324.53	8.33	-32.39
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC(OC)=C1	REAL300012026994	0	39	0.0	-37.69	328.72	6.99	-30.70
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012026995	0	38	0.0	-45.79	338.43	8.53	-37.26
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(F)=C(F)C(OC)=C1	REAL300012026996	0	39	0.0	-44.92	324.51	6.61	-38.31
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=NN1C	REAL300012026997	0	42	0.0	-36.85	343.40	4.70	-32.15
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C(C(=O)OC)=C(C)N1	REAL300012026998	0	45	0.0	-48.29	370.21	6.87	-41.42
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=C(Br)C=C1C	REAL300012026999	0	41	0.0	-41.68	340.87	8.86	-32.82
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012027000	0	36	0.0	-45.17	320.00	4.91	-40.26
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012027001	0	38	0.0	-33.57	322.57	6.23	-27.34
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012027002	0	51	0.0	-35.31	384.39	10.98	-24.33
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC=CC1=CC=CC=C1OC	REAL300012027003	0	43	0.0	-44.53	345.95	7.84	-36.69
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=C(Br)S1	REAL300012027004	0	35	0.0	-37.18	312.83	7.54	-29.64
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCC2)N=C1C	REAL300012027005	0	45	0.0	-44.06	354.31	7.53	-36.53
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)N(CC(F)F)N=C1	REAL300012027006	0	41	0.0	-38.60	336.78	6.55	-32.05
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012027007	0	43	0.0	-42.23	351.73	7.51	-34.72
CCCN1N=C(C)C(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC	REAL300012027008	0	44	0.0	-44.18	369.29	7.45	-36.73
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC2=CC(Cl)=CC=C2N1C(C)C	REAL300012027009	0	47	0.0	-44.52	380.68	9.25	-35.27
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CO2)=NN1C	REAL300012027010	0	42	0.0	-39.64	345.82	6.43	-33.21
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012027011	0	48	0.0	-43.51	389.32	11.63	-31.88
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC(Cl)=C1Br	REAL300012027012	0	35	0.0	-36.66	329.53	8.70	-27.96
CCCCC(=O)NC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012027013	0	51	0.0	-48.09	406.29	8.42	-39.67
CCN(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C(C)=C1	REAL300012027014	0	49	0.0	-34.23	368.02	9.07	-25.16
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012027015	0	34	0.0	-43.43	312.67	6.33	-37.10
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012027016	0	32	0.0	-32.86	304.13	7.18	-25.68
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C(C)(C)C)N=C1C(C)(C)C	REAL300012027017	0	56	0.0	-32.97	404.64	9.13	-23.84
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C=C(C)C=C1OC	REAL300012027018	0	46	0.0	-32.87	360.25	6.54	-26.33
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012027019	0	39	0.0	-40.72	344.57	7.51	-33.21
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012027020	0	45	0.0	-40.61	371.13	9.99	-30.62
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012027021	0	38	0.0	-38.17	319.47	8.54	-29.63
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012027022	0	44	0.0	-47.13	355.94	8.83	-38.30
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1	REAL300012027023	0	57	0.0	-36.62	441.43	12.07	-24.55
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C)=C1C(F)(F)F	REAL300012027024	0	41	0.0	-30.80	320.57	8.55	-22.25
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)C=C1Br	REAL300012027025	0	38	0.0	-33.80	337.73	8.69	-25.11
CCC(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC(=O)OC)C=C1	REAL300012027026	0	47	0.0	-41.70	365.20	9.76	-31.94
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012027027	0	37	0.0	-42.14	326.49	6.48	-35.66
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012027028	0	40	0.0	-45.30	351.58	7.54	-37.76
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012027029	0	42	0.0	-46.45	347.43	5.85	-40.60
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012027030	0	38	0.0	-38.68	341.19	9.31	-29.37
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=NC=C(CC2=CC=CC=C2)N1C	REAL300012027031	0	48	0.0	-33.97	384.09	9.78	-24.19
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(C)(F)F)=N1	REAL300012027032	0	40	0.0	-42.44	331.66	7.11	-35.33
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012027033	0	35	0.0	-41.99	314.64	7.90	-34.09
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012027034	0	35	0.0	-44.57	327.13	8.30	-36.27
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012027035	0	45	0.0	-40.62	341.95	9.53	-31.09
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012027036	0	37	0.0	-45.26	332.00	8.46	-36.80
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC(C)=CC1=CC(F)=CC(F)=C1	REAL300012027037	0	42	0.0	-46.74	346.56	9.07	-37.67
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(F)=C1OC	REAL300012027038	0	39	0.0	-43.55	342.96	7.23	-36.32
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012027039	0	38	0.0	-35.05	326.03	8.19	-26.86
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012027040	0	41	0.0	-53.27	338.89	7.08	-46.19
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C2=CC=CC=C2C=C1	REAL300012027041	0	44	0.0	-42.81	344.08	9.86	-32.95
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C(C)(C)C)N=C1C(C)C	REAL300012027042	0	53	0.0	-43.04	411.70	8.83	-34.21
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012027043	0	41	0.0	-40.85	347.09	9.95	-30.90
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C2NC=CC2=C1OC	REAL300012027044	0	43	0.0	-41.55	344.84	6.77	-34.78
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012027045	0	48	0.0	-44.74	374.13	4.18	-40.56
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(OC)C=CC(OC)=C1OC	REAL300012027046	0	47	0.0	-40.05	373.66	5.79	-34.26
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012027047	0	52	0.0	-43.00	398.45	9.09	-33.91
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012027048	0	49	0.0	-39.66	400.28	10.67	-28.99
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(C)C=CC2=CC=CN=C21	REAL300012027049	0	43	0.0	-42.11	342.25	8.29	-33.82
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN=C(N2C=CC=N2)C(C)=C1	REAL300012027050	0	44	0.0	-43.49	354.11	8.49	-35.00
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CC(C(=O)OC)=CN1C	REAL300012027051	0	42	0.0	-48.90	348.81	7.30	-41.60
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=C(Br)C=CC(OC)=C1O	REAL300012027052	0	40	0.0	-39.27	343.53	4.84	-34.43
COC(=O)C[C@H](CC(=O)[O-])[NH2+]CC1=CN(C)N=C1C1CCC1	REAL300012027053	0	45	0.0	-36.52	353.74	7.59	-28.93
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012027054	0	42	0.0	-37.23	336.00	10.37	-26.86
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027055	0	47	0.0	-37.04	395.20	12.04	-25.00
CC(C)(C)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027056	0	49	0.0	-37.13	371.00	12.24	-24.89
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012027057	0	44	0.0	-42.64	345.62	9.71	-32.93
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Br)O1	REAL300012027058	0	34	0.0	-33.40	297.29	8.88	-24.52
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027059	0	47	0.0	-37.98	373.74	11.64	-26.34
N#CCCN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012027060	0	51	0.0	-46.32	410.96	12.39	-33.93
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OC(F)F	REAL300012027061	0	45	0.0	-37.07	363.63	9.43	-27.64
CCOC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OC	REAL300012027062	0	48	0.0	-35.28	375.73	10.07	-25.21
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012027063	0	51	0.0	-30.37	404.51	13.24	-17.13
CCCCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027064	0	53	0.0	-36.99	410.39	12.48	-24.51
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012027065	0	46	0.0	-40.74	383.56	12.52	-28.22
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012027066	0	46	0.0	-38.71	383.27	12.57	-26.14
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1Br	REAL300012027067	0	41	0.0	-34.65	344.77	9.97	-24.68
CC(C)OC1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027068	0	47	0.0	-27.74	362.68	11.08	-16.66
CCCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC	REAL300012027069	0	54	0.0	-35.53	418.46	11.70	-23.83
CCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC	REAL300012027070	0	51	0.0	-35.57	396.96	10.92	-24.65
C=CCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC	REAL300012027071	0	49	0.0	-35.63	388.63	10.66	-24.97
CCCCCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC	REAL300012027072	0	60	0.0	-35.49	461.46	13.27	-22.22
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012027073	0	44	0.0	-34.01	371.81	12.42	-21.59
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012027074	0	44	0.0	-33.36	372.20	12.40	-20.96
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012027075	0	44	0.0	-40.05	379.10	13.20	-26.85
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012027076	0	47	0.0	-35.23	378.82	11.57	-23.66
CCC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300012027077	0	46	0.0	-30.92	357.56	11.68	-19.24
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012027078	0	46	0.0	-37.67	379.45	13.13	-24.54
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012027079	1	43	0.0	-44.01	366.57	10.80	-33.21
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012027080	0	41	0.0	-30.74	339.87	9.86	-20.88
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012027081	0	41	0.0	-40.78	350.94	11.36	-29.42
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012027082	0	44	0.0	-26.97	354.55	7.60	-19.37
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(Cl)=C1	REAL300012027083	0	41	0.0	-31.98	337.03	9.75	-22.23
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012027084	0	41	0.0	-40.04	340.53	9.69	-30.35
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012027085	0	46	0.0	-44.73	390.55	13.35	-31.38
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012027086	0	46	0.0	-41.43	387.98	13.30	-28.13
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012027087	0	44	0.0	-32.95	357.92	9.85	-23.10
CC1=CC=C(C2=NNC=C2C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027088	0	47	0.0	-42.66	367.11	10.39	-32.27
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012027089	0	41	0.0	-28.19	338.40	9.05	-19.14
COC1=CC=C(C2=NNC=C2C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027090	0	48	0.0	-32.50	380.99	9.08	-23.42
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC2=CC=CC=C12	REAL300012027091	0	40	0.0	-35.90	331.50	11.26	-24.64
CCOC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=NN1CC(C)C	REAL300012027092	0	56	0.0	-30.30	420.40	10.18	-20.12
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012027093	0	43	0.0	-35.05	341.23	10.45	-24.60
CC1=CC=C(C2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])O2)C=C1	REAL300012027094	0	47	0.0	-33.74	376.78	12.52	-21.22
CC1=CC=C(C2=NNC=C2C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])O1	REAL300012027095	0	44	0.0	-29.32	355.68	9.00	-20.32
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012027096	0	43	0.0	-40.20	338.72	7.94	-32.26
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012027097	0	50	0.0	-43.58	394.75	9.08	-34.50
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012027098	0	52	0.0	-35.00	403.55	10.58	-24.42
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)S1	REAL300012027099	0	34	0.0	-39.59	302.40	9.67	-29.92
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012027100	0	44	0.0	-40.54	368.78	12.74	-27.80
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012027101	0	42	0.0	-30.48	335.04	10.54	-19.94
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012027102	0	50	0.0	-33.57	397.23	11.54	-22.03
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027103	0	46	0.0	-42.12	363.88	8.94	-33.18
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012027104	0	44	0.0	-39.14	352.94	11.10	-28.04
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012027105	0	43	0.0	-40.30	347.87	12.42	-27.88
CC(C)N1N=CC2=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=C(Cl)N=C21	REAL300012027106	0	48	0.0	-43.85	384.97	10.76	-33.09
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012027107	0	44	0.0	-32.54	379.96	13.27	-19.27
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012027108	0	44	0.0	-33.54	372.40	12.92	-20.62
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(F)=CC=C1F	REAL300012027109	0	37	0.0	-33.10	306.49	9.98	-23.12
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012027110	0	40	0.0	-33.35	337.13	11.15	-22.20
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012027111	0	37	0.0	-32.32	313.94	10.52	-21.80
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012027112	0	37	0.0	-35.23	317.71	10.52	-24.71
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012027113	0	40	0.0	-37.21	339.47	11.01	-26.20
CCOC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027114	0	44	0.0	-35.07	346.18	10.15	-24.92
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012027115	0	37	0.0	-30.62	323.97	10.85	-19.77
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012027116	0	40	0.0	-26.15	328.71	10.90	-15.25
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012027117	0	37	0.0	-42.93	313.54	10.08	-32.85
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012027118	0	40	0.0	-35.62	340.02	11.08	-24.54
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012027119	0	40	0.0	-38.31	338.04	10.93	-27.38
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(Cl)=C1OC	REAL300012027120	0	45	0.0	-29.14	369.16	9.67	-19.47
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012027121	0	40	0.0	-32.47	332.29	11.55	-20.92
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012027122	0	37	0.0	-36.24	317.44	10.57	-25.67
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012027123	0	41	0.0	-35.57	349.03	10.03	-25.54
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012027124	0	44	0.0	-42.19	379.12	13.19	-29.00
N#CC1=CC=CC(COC2=CC=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=C2)=C1	REAL300012027125	0	52	0.0	-45.10	426.70	13.56	-31.54
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012027126	0	47	0.0	-47.19	369.88	8.40	-38.79
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CN=C1Cl	REAL300012027127	0	36	0.0	-40.94	293.33	8.27	-32.67
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012027128	0	48	0.0	-37.70	395.30	10.54	-27.16
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012027129	0	50	0.0	-39.63	400.68	11.41	-28.22
CC(C)C1=NN(C)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027130	0	46	0.0	-34.03	360.32	9.60	-24.43
CC(C)C1=NN(C)C(Cl)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027131	0	46	0.0	-31.04	374.98	9.96	-21.08
COCCOC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027132	0	48	0.0	-36.42	379.80	9.42	-27.00
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1Cl	REAL300012027133	0	41	0.0	-34.75	340.39	9.85	-24.90
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012027134	1	42	0.0	-51.80	355.61	8.86	-42.94
CC(C)N1C2=CC=CC=C2N=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027135	0	49	0.0	-34.78	376.58	11.59	-23.19
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=N1	REAL300012027136	0	53	0.0	-50.50	412.78	9.87	-40.63
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012027137	0	44	0.0	-36.51	365.75	10.62	-25.89
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012027138	0	43	0.0	-31.78	337.45	9.10	-22.68
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012027139	0	46	0.0	-32.40	354.34	9.90	-22.50
CCCN1C2=CC=CC=C2N=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027140	0	49	0.0	-47.58	385.23	11.92	-35.66
CCCOC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027141	0	47	0.0	-34.85	367.67	10.95	-23.90
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012027142	0	44	0.0	-38.07	360.62	12.48	-25.59
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012027143	0	51	0.0	-34.10	389.48	12.16	-21.94
CC(C)OC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027144	0	47	0.0	-36.48	364.29	10.78	-25.70
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012027145	0	50	0.0	-28.99	403.51	11.92	-17.07
CC1=CC=C(C2=NC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CS2)C=C1	REAL300012027146	1	46	0.0	-32.99	381.14	11.48	-21.51
CC(C)C1=NC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CS1	REAL300012027147	1	42	0.0	-31.28	342.62	9.04	-22.24
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012027148	0	51	0.0	-41.07	409.55	13.34	-27.73
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012027149	1	47	0.0	-36.23	391.27	10.32	-25.91
CC1=CC=C(OCC2=NC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CS2)C=C1	REAL300012027150	1	50	0.0	-36.26	412.69	10.99	-25.27
CC(C)(C)C1=NC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CS1	REAL300012027151	1	45	0.0	-30.96	361.84	9.49	-21.47
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012027152	1	40	0.0	-32.58	351.00	9.68	-22.90
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012027153	0	44	0.0	-43.43	368.79	12.74	-30.69
CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027154	0	51	0.0	-33.59	400.54	10.77	-22.82
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012027155	0	51	0.0	-27.77	387.81	12.23	-15.54
CC1=CC=C(C2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])S2)C=C1	REAL300012027156	0	47	0.0	-40.07	383.78	13.35	-26.72
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012027157	0	43	0.0	-44.24	360.59	10.18	-34.06
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027158	0	41	0.0	-33.73	357.23	10.45	-23.28
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012027159	0	37	0.0	-30.57	328.52	10.95	-19.62
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012027160	0	37	0.0	-29.80	327.55	10.95	-18.85
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012027161	0	48	0.0	-39.43	395.33	12.83	-26.60
CCOC1=C(OC)C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC	REAL300012027162	0	52	0.0	-38.35	408.96	10.02	-28.33
COCCCOC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027163	0	51	0.0	-36.23	401.35	10.02	-26.21
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CN=C1Cl	REAL300012027164	0	39	0.0	-36.64	325.36	9.24	-27.40
COC1=CC=C(OC(F)F)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027165	0	45	0.0	-36.79	361.75	8.80	-27.99
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012027166	0	41	0.0	-29.40	347.20	9.99	-19.41
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012027167	0	50	0.0	-33.93	398.75	11.91	-22.02
O=C(COC1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-])NCC1CC1	REAL300012027168	0	55	0.0	-33.27	436.18	11.17	-22.10
CC1=CC=C(C2=NC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])S2)C=C1	REAL300012027169	0	46	0.0	-38.41	380.97	11.61	-26.80
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012027170	0	42	0.0	-30.30	351.66	10.99	-19.31
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012027171	0	42	0.0	-30.53	340.33	10.47	-20.06
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012027172	0	42	0.0	-30.98	341.36	10.56	-20.42
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012027173	0	42	0.0	-30.03	349.18	10.85	-19.18
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012027174	0	44	0.0	-36.26	369.58	12.07	-24.19
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])O1	REAL300012027175	0	47	0.0	-34.16	382.02	12.65	-21.51
CCC1=CC=C(C2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])O2)C=C1	REAL300012027176	0	50	0.0	-33.58	398.26	13.28	-20.30
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(OC(F)F)=C1	REAL300012027177	0	45	0.0	-34.54	361.81	8.82	-25.72
COC1=CC=C2OC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CC2=C1	REAL300012027178	0	44	0.0	-44.13	352.03	9.70	-34.43
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012027179	0	41	0.0	-33.38	342.66	11.83	-21.55
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300012027180	0	43	0.0	-39.99	341.41	11.01	-28.98
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=COC2=CC=CC=C12	REAL300012027181	0	40	0.0	-35.10	322.43	10.28	-24.82
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012027182	0	45	0.0	-35.59	361.89	11.72	-23.87
CC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1Br	REAL300012027183	0	40	0.0	-32.23	334.62	11.14	-21.09
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012027184	0	41	0.0	-35.60	337.73	11.29	-24.31
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1Br	REAL300012027185	0	40	0.0	-32.50	334.64	11.14	-21.36
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012027186	1	44	0.0	-46.82	353.68	11.02	-35.80
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Cl)SC=C1	REAL300012027187	0	34	0.0	-34.99	295.26	9.33	-25.66
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012027188	0	42	0.0	-33.03	347.01	10.25	-22.78
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012027189	0	41	0.0	-35.33	332.92	9.91	-25.42
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012027190	0	41	0.0	-38.92	332.88	9.91	-29.01
CCOC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=N1	REAL300012027191	0	43	0.0	-43.47	343.57	7.50	-35.97
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC2=CC=CN=C12	REAL300012027192	0	45	0.0	-36.34	356.41	11.14	-25.20
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1Cl	REAL300012027193	0	40	0.0	-32.46	330.61	11.06	-21.40
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012027194	0	39	0.0	-39.86	326.46	9.38	-30.48
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])O2)C=C1	REAL300012027195	0	56	0.0	-33.33	431.49	14.16	-19.17
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027196	0	57	0.0	-32.88	429.71	13.03	-19.85
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027197	0	57	0.0	-33.03	436.99	13.01	-20.02
CCCC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027198	0	46	0.0	-36.54	358.94	12.11	-24.43
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027199	0	55	0.0	-33.10	430.05	14.73	-18.37
CCN(CC)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1F	REAL300012027200	0	51	0.0	-33.59	394.40	11.01	-22.58
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C(SC)C=C1OC	REAL300012027201	0	49	0.0	-32.85	388.87	10.03	-22.82
COC1=CC=C2N=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])SC2=C1	REAL300012027202	0	43	0.0	-35.90	356.16	8.71	-27.19
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027203	0	43	0.0	-47.62	357.80	10.76	-36.86
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1C#N	REAL300012027204	0	42	0.0	-40.37	344.61	9.72	-30.65
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012027205	0	41	0.0	-41.10	344.36	11.16	-29.94
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027206	0	43	0.0	-31.33	345.14	11.59	-19.74
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012027207	0	41	0.0	-37.46	340.33	9.65	-27.81
CCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])N=C1	REAL300012027208	0	43	0.0	-43.40	341.62	8.31	-35.09
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027209	0	43	0.0	-37.61	348.26	11.53	-26.08
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC(Cl)=C1OC	REAL300012027210	0	45	0.0	-37.63	373.25	9.73	-27.90
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OCC(C)C	REAL300012027211	0	54	0.0	-35.31	417.10	11.60	-23.71
CCCOC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OC	REAL300012027212	0	51	0.0	-35.55	396.99	10.93	-24.62
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Br)S1	REAL300012027213	0	34	0.0	-39.63	307.03	9.77	-29.86
CCOC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC(Cl)=C1OC	REAL300012027214	0	48	0.0	-37.41	395.11	10.65	-26.76
C=CCOC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027215	0	45	0.0	-34.99	359.08	10.73	-24.26
COC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1OC(C)C	REAL300012027216	0	51	0.0	-33.07	390.22	11.29	-21.78
CCOC1=C(Cl)C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC	REAL300012027217	0	48	0.0	-37.59	395.11	10.69	-26.90
CCCOC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=CC=C1OCC	REAL300012027218	0	54	0.0	-29.48	418.46	11.82	-17.66
CCCCOC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OC	REAL300012027219	0	54	0.0	-35.54	418.50	11.70	-23.84
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC(F)F	REAL300012027220	0	45	0.0	-34.87	363.63	9.44	-25.43
CCOC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OC(F)F	REAL300012027221	0	48	0.0	-36.90	385.49	10.35	-26.55
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012027222	0	47	0.0	-39.64	373.08	10.95	-28.69
CCOC1=CC2=C(C=C1C[NH2+][C@H]1C3=CC=CC=C3C[C@H]1C(=O)[O-])OC(C)C2	REAL300012027223	0	52	0.0	-30.63	401.66	10.89	-19.74
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC2=C1OCCO2	REAL300012027224	0	47	0.0	-37.85	368.58	9.01	-28.84
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012027225	0	46	0.0	-53.53	389.75	11.37	-42.16
CCCCN1N=C(C)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1Cl	REAL300012027226	0	49	0.0	-34.53	398.51	11.04	-23.49
CCOC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1OC(F)F	REAL300012027227	0	48	0.0	-31.88	383.31	10.39	-21.49
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012027228	0	55	0.0	-33.00	428.85	12.06	-20.94
CC1=CC(C)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1C	REAL300012027229	0	46	0.0	-35.59	348.34	11.64	-23.95
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012027230	0	44	0.0	-40.05	362.35	12.68	-27.37
CCCOC1=C(Cl)C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC	REAL300012027231	0	51	0.0	-37.41	416.60	11.49	-25.92
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012027232	0	44	0.0	-36.18	369.81	12.08	-24.10
CC(C)(C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012027233	0	46	0.0	-29.03	343.26	11.67	-17.36
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2CCCCC2)=N1	REAL300012027234	0	53	0.0	-34.57	401.34	11.44	-23.13
CC(CCC1=CC=CC=C1)C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027235	0	49	0.0	-30.31	373.97	12.86	-17.45
CCC1CCCC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C1	REAL300012027236	0	49	0.0	-36.40	354.73	11.50	-24.90
CC1(C)CCC2=C(C1)SC(C[NH2+][C@H]1C3=CC=CC=C3C[C@H]1C(=O)[O-])=N2	REAL300012027237	0	49	0.0	-31.07	379.31	10.59	-20.48
CCC1=CC=CC(Cl)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027238	0	43	0.0	-27.47	344.60	11.61	-15.86
CC1=C(C)C=C2OC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CC2=C1	REAL300012027239	0	46	0.0	-44.63	360.91	11.63	-33.00
CCCC1CCC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])CC1	REAL300012027240	0	52	0.0	-29.48	376.44	12.34	-17.14
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012027241	0	44	0.0	-32.41	368.26	10.30	-22.11
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012027242	0	44	0.0	-37.53	351.06	12.35	-25.18
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012027243	0	44	0.0	-34.51	363.77	11.96	-22.55
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012027244	0	43	0.0	-36.30	355.35	9.70	-26.60
CCCCC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300012027245	0	52	0.0	-38.61	406.09	13.37	-25.24
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012027246	0	50	0.0	-39.26	401.94	14.63	-24.63
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027247	0	50	0.0	-40.12	394.28	12.18	-27.94
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012027248	0	46	0.0	-41.03	373.45	10.38	-30.65
COC1=CC=C(C)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027249	0	44	0.0	-30.82	343.97	9.93	-20.89
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1F	REAL300012027250	0	41	0.0	-36.43	330.58	9.38	-27.05
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012027251	0	46	0.0	-39.44	340.89	10.80	-28.64
CC(C)C1CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])CCO1	REAL300012027252	0	50	0.0	-30.69	365.01	10.13	-20.56
CC1(C)CCC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])CC1	REAL300012027253	0	49	0.0	-29.47	350.17	11.18	-18.29
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012027254	0	44	0.0	-39.24	372.00	10.77	-28.47
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012027255	1	43	0.0	-55.94	366.37	10.34	-45.60
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012027256	1	43	0.0	-56.43	370.14	10.29	-46.14
CCSC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027257	0	44	0.0	-34.28	356.50	11.78	-22.50
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012027258	1	38	0.0	-43.15	324.76	7.61	-35.54
COC1(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])CCCCC1	REAL300012027259	0	47	0.0	-28.93	330.88	9.13	-19.80
CCN1N=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C2=CC=CC=C21	REAL300012027260	0	46	0.0	-33.38	366.89	10.74	-22.64
COCCC1(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])CCCCC1	REAL300012027261	0	53	0.0	-30.25	373.44	10.17	-20.08
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012027262	0	34	0.0	-33.13	322.62	10.32	-22.81
CCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027263	0	47	0.0	-37.12	367.39	10.92	-26.20
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027264	0	50	0.0	-35.25	414.31	12.48	-22.77
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012027265	0	40	0.0	-44.47	322.61	10.43	-34.04
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012027266	0	44	0.0	-33.93	355.11	11.90	-22.03
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300012027267	0	51	0.0	-35.14	392.72	10.82	-24.32
CCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OCC	REAL300012027268	0	54	0.0	-35.00	419.08	11.79	-23.21
CC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012027269	0	42	0.0	-38.46	339.34	11.15	-27.31
CC(C)OC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027270	0	47	0.0	-38.63	363.79	10.78	-27.85
CCCCCCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027271	0	59	0.0	-36.96	453.39	14.05	-22.91
CC(C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012027272	0	58	0.0	-31.81	427.91	14.36	-17.45
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012027273	0	41	0.0	-36.57	325.88	9.89	-26.68
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Br)C=CS1	REAL300012027274	0	34	0.0	-29.23	304.33	9.52	-19.71
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012027275	0	50	0.0	-31.02	379.10	9.44	-21.58
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(F)=CC=C1Br	REAL300012027276	0	37	0.0	-30.78	317.23	10.51	-20.27
CC(C)CC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027277	0	49	0.0	-36.20	375.73	12.58	-23.62
CC1=CC=C(C2=CC=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=C2)C=C1	REAL300012027278	0	50	0.0	-37.24	390.79	14.01	-23.23
COC1=CC=C(Br)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027279	0	41	0.0	-32.30	329.62	9.48	-22.82
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012027280	0	43	0.0	-42.56	350.65	10.69	-31.87
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012027281	0	37	0.0	-33.43	328.66	11.03	-22.40
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012027282	0	37	0.0	-38.13	317.70	10.48	-27.65
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Br)=CO1	REAL300012027283	0	34	0.0	-32.97	297.31	8.78	-24.19
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027284	0	50	0.0	-40.26	390.61	13.98	-26.28
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012027285	0	41	0.0	-38.76	334.08	9.51	-29.25
CCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OCC	REAL300012027286	0	51	0.0	-35.21	397.59	10.99	-24.22
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012027287	0	37	0.0	-32.58	317.14	10.55	-22.03
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012027288	0	40	0.0	-36.24	347.04	11.37	-24.87
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C=C1Br	REAL300012027289	0	37	0.0	-32.02	317.53	10.61	-21.41
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012027290	0	41	0.0	-35.89	340.82	9.72	-26.17
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012027291	0	37	0.0	-32.09	316.81	10.43	-21.66
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027292	0	51	0.0	-33.12	403.35	13.03	-20.09
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012027293	0	37	0.0	-34.88	308.02	10.15	-24.73
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012027294	0	37	0.0	-44.66	315.14	10.41	-34.25
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300012027295	0	47	0.0	-36.11	363.87	11.37	-24.74
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012027296	0	44	0.0	-39.87	348.99	9.82	-30.05
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012027296	1	44	0.0	-36.10	353.14	9.90	-26.20
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(F)=C1F	REAL300012027297	0	37	0.0	-46.97	305.23	9.97	-37.00
CN1C2=CC=CC=C2N=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027298	0	43	0.0	-49.33	341.07	10.25	-39.08
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(Br)=C1O	REAL300012027299	1	42	0.0	-28.97	350.16	7.60	-21.37
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C2OCCC2=C1	REAL300012027300	0	42	0.0	-39.67	330.46	9.74	-29.93
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC(Br)=C1	REAL300012027301	0	34	0.0	-32.68	306.54	9.69	-22.99
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012027302	0	47	0.0	-39.87	368.75	13.29	-26.58
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012027303	0	50	0.0	-29.62	399.98	11.57	-18.05
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012027304	0	48	0.0	-42.10	368.71	9.84	-32.26
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012027305	0	41	0.0	-35.40	325.71	9.91	-25.49
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012027306	0	37	0.0	-36.17	321.85	10.67	-25.50
CC1=NC(C)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027307	0	39	0.0	-36.56	320.02	8.35	-28.21
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012027308	0	46	0.0	-34.26	366.61	11.88	-22.38
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012027309	0	46	0.0	-33.88	364.35	11.60	-22.28
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012027310	0	46	0.0	-34.61	364.59	11.61	-23.00
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027311	0	52	0.0	-37.86	383.78	10.55	-27.31
CN1CCN(C2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012027312	1	54	0.0	-37.68	403.76	8.60	-29.08
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012027313	0	46	0.0	-41.17	376.10	8.44	-32.73
CNC(=O)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027314	0	44	0.0	-40.63	351.19	8.19	-32.44
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012027315	0	44	0.0	-37.99	360.64	11.21	-26.78
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027316	0	50	0.0	-39.72	404.59	12.63	-27.09
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012027317	0	44	0.0	-37.71	370.96	11.67	-26.04
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027318	0	50	0.0	-41.85	400.02	12.33	-29.52
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012027319	0	44	0.0	-38.62	365.72	10.61	-28.01
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012027320	0	43	0.0	-38.61	340.64	12.14	-26.47
COC1=C2OC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CC2=CC=C1	REAL300012027321	0	44	0.0	-49.27	352.11	9.72	-39.55
CC(C)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012027322	0	48	0.0	-38.70	380.19	12.46	-26.24
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012027323	0	40	0.0	-36.86	342.24	9.28	-27.58
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027324	0	53	0.0	-33.93	414.05	12.49	-21.44
CCOC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OCC(C)C	REAL300012027325	0	57	0.0	-34.75	439.19	12.47	-22.28
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Br)=CC=C1F	REAL300012027326	0	37	0.0	-32.00	321.38	10.53	-21.47
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Br)C=C1F	REAL300012027327	0	37	0.0	-32.59	321.70	10.66	-21.93
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC(OC)=C1	REAL300012027328	0	45	0.0	-33.38	354.18	8.62	-24.76
COC1=CC2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=C2C=C1	REAL300012027329	0	47	0.0	-34.92	370.36	11.56	-23.36
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Br)=CS1	REAL300012027331	0	34	0.0	-35.16	306.23	9.62	-25.54
CCCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OCC	REAL300012027332	0	57	0.0	-34.96	440.58	12.58	-22.38
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027333	0	50	0.0	-39.72	387.65	12.11	-27.61
COC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1OC(F)F	REAL300012027334	0	45	0.0	-32.17	361.46	9.47	-22.70
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012027335	0	41	0.0	-34.01	355.44	10.58	-23.43
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012027336	0	43	0.0	-53.21	344.28	8.96	-44.25
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012027338	0	37	0.0	-35.07	322.13	10.61	-24.46
CC1=CC=C(COC2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300012027339	0	54	0.0	-38.24	427.20	13.85	-24.39
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012027340	0	52	0.0	-30.81	387.79	11.29	-19.52
CCCCCCOC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027341	0	56	0.0	-34.72	432.17	13.29	-21.43
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1SC	REAL300012027342	0	45	0.0	-35.63	363.77	10.35	-25.28
N#CCCCOC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027343	0	48	0.0	-41.95	388.53	11.47	-30.48
CCCCCOC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OC	REAL300012027344	0	57	0.0	-35.49	440.00	12.49	-23.00
CCC(C)OC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OC	REAL300012027345	0	54	0.0	-35.47	414.71	11.49	-23.98
CCCCCCCOC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027346	0	59	0.0	-34.69	453.67	14.08	-20.61
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OCCCC#N	REAL300012027347	0	52	0.0	-43.71	417.85	11.44	-32.27
C=C(C)COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OC	REAL300012027348	0	52	0.0	-35.68	407.71	11.42	-24.26
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OCCC(C)C	REAL300012027349	0	57	0.0	-35.43	436.07	12.23	-23.20
C=CCC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC(OC)=C1O	REAL300012027350	0	49	0.0	-39.54	389.41	9.05	-30.49
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012027351	0	44	0.0	-40.86	354.06	9.83	-31.03
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027352	0	46	0.0	-42.21	372.65	10.85	-31.36
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027353	0	47	0.0	-39.57	388.37	8.42	-31.15
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012027354	1	43	0.0	-52.97	348.19	9.76	-43.21
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012027355	0	43	0.0	-32.70	358.35	10.79	-21.91
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012027356	0	50	0.0	-35.47	388.90	9.14	-26.33
CN1C=NC2=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CC=C21	REAL300012027357	0	43	0.0	-49.49	343.18	11.27	-38.22
CCN1N=C(C)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1C	REAL300012027358	0	46	0.0	-33.55	358.93	9.67	-23.88
C=CCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1Cl	REAL300012027359	0	45	0.0	-34.94	375.15	11.36	-23.58
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012027360	0	43	0.0	-33.40	360.23	11.00	-22.40
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C2OC(C)CC2=C1	REAL300012027361	0	49	0.0	-30.31	380.93	9.76	-20.55
CC1(C)CC2=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CC=C2O1	REAL300012027362	0	48	0.0	-38.64	369.82	11.03	-27.61
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012027363	1	43	0.0	-47.17	351.33	8.33	-38.84
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012027364	1	40	0.0	-45.38	351.82	9.77	-35.61
CC1=CC=CC(C2=NNC=C2C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027365	0	47	0.0	-34.91	361.10	10.52	-24.39
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012027366	0	40	0.0	-34.93	350.34	11.51	-23.42
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012027367	0	37	0.0	-31.63	328.84	11.07	-20.56
CC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(Br)=C1	REAL300012027368	0	40	0.0	-29.50	332.55	11.21	-18.29
CC(C)COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027369	0	50	0.0	-36.96	387.49	11.62	-25.34
COCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027370	0	48	0.0	-39.32	379.77	9.42	-29.90
CC1(C)CCCC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C1	REAL300012027371	0	49	0.0	-34.73	349.37	11.10	-23.63
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027372	0	52	0.0	-40.96	423.57	13.62	-27.34
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012027373	0	41	0.0	-36.20	350.13	10.13	-26.07
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012027374	1	45	0.0	-36.80	387.92	11.47	-25.33
CN1N=C(C2=CC=CC=C2)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1Cl	REAL300012027375	0	47	0.0	-32.58	389.90	11.44	-21.14
COC1=CC2=C(C=C1C[NH2+][C@H]1C3=CC=CC=C3C[C@H]1C(=O)[O-])OCO2	REAL300012027376	0	44	0.0	-32.62	349.31	7.98	-24.64
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012027377	0	42	0.0	-39.04	331.01	10.26	-28.78
CC(C)COC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027378	0	50	0.0	-34.71	387.78	11.65	-23.06
CC1=CC(Cl)=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027379	0	40	0.0	-36.46	326.69	10.97	-25.49
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012027380	0	41	0.0	-34.14	332.34	11.37	-22.77
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)N=C1	REAL300012027381	0	36	0.0	-43.60	306.28	8.53	-35.07
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=CC(Br)=C1	REAL300012027382	0	36	0.0	-34.45	311.29	8.77	-25.68
CN1N=NC2=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CC=C21	REAL300012027383	0	42	0.0	-38.99	337.10	8.28	-30.71
CC1(C)CC2=CC=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=C2O1	REAL300012027384	0	48	0.0	-29.53	371.73	11.10	-18.43
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012027385	0	42	0.0	-33.02	351.58	10.36	-22.66
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012027386	0	47	0.0	-42.74	368.69	11.01	-31.73
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012027387	0	44	0.0	-34.53	353.14	11.12	-23.41
CC1=C(Br)SC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027388	0	37	0.0	-32.28	326.39	10.45	-21.83
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012027389	0	42	0.0	-30.10	353.24	10.94	-19.16
CC1=NC2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=C2C=C1	REAL300012027390	0	45	0.0	-37.03	357.60	10.98	-26.05
COC1=CC=C(OC2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300012027391	0	52	0.0	-34.51	415.13	12.17	-22.34
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012027392	0	39	0.0	-32.24	318.52	8.97	-23.27
CC1=CC(C)=CC(C2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=C2)=C1	REAL300012027393	0	53	0.0	-33.13	411.89	14.74	-18.39
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012027394	0	46	0.0	-38.71	364.09	13.41	-25.30
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012027395	0	40	0.0	-43.59	328.98	10.49	-33.10
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012027396	0	44	0.0	-39.84	358.91	10.44	-29.40
COCC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027397	0	44	0.0	-39.24	349.61	9.62	-29.62
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027398	0	47	0.0	-36.77	389.79	12.21	-24.56
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012027399	0	51	0.0	-43.58	412.51	13.27	-30.31
CCCCOC1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027400	0	50	0.0	-29.82	387.50	11.77	-18.05
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012027401	0	48	0.0	-33.01	395.83	14.06	-18.95
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012027402	0	47	0.0	-33.31	370.77	10.73	-22.58
COC1=CC(C)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC	REAL300012027403	0	48	0.0	-39.21	368.08	9.71	-29.50
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027404	0	43	0.0	-50.46	357.88	10.76	-39.70
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027406	1	46	0.0	-30.23	378.55	9.64	-20.59
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012027407	0	41	0.0	-31.07	341.04	8.75	-22.32
CSC1=CC(Br)=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027408	0	41	0.0	-29.57	351.82	11.46	-18.11
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012027409	0	47	0.0	-35.57	385.16	11.63	-23.94
CC1CCC2=C(C1)SC(C[NH2+][C@H]1C3=CC=CC=C3C[C@H]1C(=O)[O-])=N2	REAL300012027410	0	46	0.0	-30.73	363.80	10.25	-20.48
CC(C)(C)C1CCC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])CC1	REAL300012027411	0	55	0.0	-28.59	377.69	12.07	-16.52
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027412	0	51	0.0	-32.62	397.17	12.68	-19.94
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027413	0	51	0.0	-33.74	396.71	12.66	-21.08
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027414	0	50	0.0	-35.32	391.99	10.90	-24.42
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012027415	0	48	0.0	-32.19	378.13	11.77	-20.42
COC1=CC(Cl)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1Cl	REAL300012027416	0	41	0.0	-34.16	343.52	9.98	-24.18
CC(C)CC1=NC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027417	0	45	0.0	-36.15	362.40	10.08	-26.07
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012027418	0	40	0.0	-39.53	351.49	10.00	-29.53
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012027419	0	40	0.0	-38.00	350.74	9.88	-28.12
CC1=CC=C(C2=NC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])S2)O1	REAL300012027420	0	43	0.0	-42.01	364.84	9.87	-32.14
CC1=CC(Br)=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027421	0	40	0.0	-36.48	331.26	11.07	-25.41
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012027422	0	37	0.0	-34.23	331.25	11.03	-23.20
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012027423	0	44	0.0	-41.42	357.94	9.87	-31.55
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012027424	0	46	0.0	-35.18	369.79	11.69	-23.49
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012027425	0	40	0.0	-35.27	337.03	10.78	-24.49
COCCOC1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027426	0	48	0.0	-31.25	378.11	9.45	-21.80
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012027427	0	37	0.0	-31.34	327.85	11.06	-20.28
COC1=C(Br)C=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027428	0	41	0.0	-29.55	344.47	9.95	-19.60
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NC2=C(CCC2)S1	REAL300012027429	0	40	0.0	-32.03	325.72	9.08	-22.95
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012027430	0	44	0.0	-28.51	361.35	10.37	-18.14
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012027431	0	51	0.0	-31.63	404.67	12.71	-18.92
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012027432	0	48	0.0	-27.31	396.69	13.27	-14.04
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027433	0	56	0.0	-35.38	418.45	13.33	-22.05
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012027434	0	44	0.0	-34.34	361.50	11.97	-22.37
CC(C)(C)C1=NC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027435	0	45	0.0	-36.09	361.38	9.69	-26.40
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012027436	0	43	0.0	-34.74	339.62	9.11	-25.63
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(Br)=C1	REAL300012027437	0	37	0.0	-34.06	315.86	10.51	-23.55
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(Cl)=C1	REAL300012027438	0	37	0.0	-34.27	311.29	10.40	-23.87
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012027439	0	44	0.0	-43.28	353.36	11.11	-32.17
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012027440	0	47	0.0	-41.14	394.04	12.02	-29.12
CC(C)(C)N1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=N1	REAL300012027441	0	46	0.0	-42.56	358.18	9.75	-32.81
CC(=O)NC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027442	0	44	0.0	-39.44	349.41	8.72	-30.72
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1Cl	REAL300012027443	0	37	0.0	-35.88	299.92	10.22	-25.66
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012027444	0	39	0.0	-36.96	323.01	10.60	-26.36
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012027445	0	39	0.0	-45.49	323.01	10.59	-34.90
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012027446	0	43	0.0	-34.40	335.56	12.03	-22.37
CN(C)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027447	0	45	0.0	-36.90	345.72	10.33	-26.57
CCN(CC)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027448	0	51	0.0	-37.08	389.91	12.22	-24.86
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Br)C=C1	REAL300012027449	0	37	0.0	-38.51	316.09	10.54	-27.97
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)C=C1	REAL300012027450	0	37	0.0	-38.43	311.51	10.44	-27.99
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC(OC)=C1OC	REAL300012027451	0	49	0.0	-41.33	386.44	9.01	-32.32
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012027452	1	37	0.0	-33.23	314.52	10.39	-22.84
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012027453	0	41	0.0	-33.25	332.36	9.52	-23.73
COC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1OC	REAL300012027454	0	45	0.0	-30.21	353.97	9.21	-21.00
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012027455	0	37	0.0	-31.63	324.27	10.97	-20.66
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012027456	0	50	0.0	-32.20	379.19	8.80	-23.40
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC	REAL300012027457	0	45	0.0	-36.05	353.61	9.20	-26.85
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(OC)=C1	REAL300012027458	0	45	0.0	-31.32	352.51	8.56	-22.76
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012027459	0	40	0.0	-34.34	333.95	10.96	-23.38
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C=C1F	REAL300012027460	0	37	0.0	-33.24	306.81	10.10	-23.14
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012027461	0	37	0.0	-38.96	313.26	10.58	-28.38
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012027462	0	37	0.0	-34.25	327.03	10.92	-23.33
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012027463	0	41	0.0	-42.19	333.80	9.48	-32.71
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012027464	0	40	0.0	-25.42	323.18	11.16	-14.26
CCCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027465	0	50	0.0	-37.67	389.14	11.73	-25.94
CC(C)CCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027466	0	53	0.0	-37.61	406.71	12.25	-25.36
CCCCCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027467	0	56	0.0	-36.95	431.89	13.27	-23.68
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012027468	0	48	0.0	-35.07	383.03	12.73	-22.34
CCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(OCCC)=C1	REAL300012027469	0	57	0.0	-29.69	438.79	12.01	-17.68
CC(=CC1=CC=CC=C1)C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027470	0	44	0.0	-30.62	343.29	11.74	-18.88
CCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC	REAL300012027471	0	48	0.0	-35.31	375.73	10.07	-25.24
CC(C)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027472	0	46	0.0	-36.34	354.76	11.83	-24.51
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012027473	0	40	0.0	-33.79	333.64	11.01	-22.78
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(OC)=C1OC	REAL300012027474	0	49	0.0	-31.81	381.37	8.91	-22.90
CCOC1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027475	0	44	0.0	-30.00	344.47	10.19	-19.81
CCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027476	0	44	0.0	-37.97	346.15	10.14	-27.83
COC1=CC=C(Br)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027477	0	41	0.0	-33.38	343.78	9.87	-23.51
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC(Br)=C1O	REAL300012027478	0	42	0.0	-37.31	355.21	7.67	-29.64
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012027479	0	47	0.0	-39.50	368.98	13.33	-26.17
COC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012027480	0	47	0.0	-29.35	365.28	11.48	-17.87
CSC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027481	0	41	0.0	-37.00	334.75	10.92	-26.08
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012027482	1	37	0.0	-26.74	322.96	10.83	-15.91
COC1=CC(OC)=C(OC)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027483	0	49	0.0	-34.41	381.31	8.45	-25.96
CC1=CC(C)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=C1	REAL300012027484	0	46	0.0	-29.36	349.45	11.73	-17.63
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(F)C=CC=C1F	REAL300012027485	1	37	0.0	-28.43	305.48	10.06	-18.37
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012027486	0	37	0.0	-37.42	307.55	10.12	-27.30
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027487	0	47	0.0	-37.86	388.87	11.97	-25.89
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012027488	0	51	0.0	-35.74	406.09	13.20	-22.54
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1Br	REAL300012027489	0	37	0.0	-34.23	301.07	10.26	-23.97
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1O	REAL300012027490	0	42	0.0	-36.03	335.16	7.14	-28.89
CC1=NN(C)C(Cl)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027491	0	40	0.0	-32.19	333.04	8.65	-23.54
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012027492	0	40	0.0	-47.62	336.81	9.07	-38.55
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300012027493	0	49	0.0	-34.96	365.46	10.04	-24.92
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1I	REAL300012027494	0	37	0.0	-31.32	304.99	10.57	-20.75
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012027495	0	45	0.0	-37.74	371.55	9.10	-28.64
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012027496	0	54	0.0	-39.86	418.13	13.20	-26.66
CN(CCC#N)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027497	0	49	0.0	-42.05	388.43	11.75	-30.30
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012027498	0	47	0.0	-32.21	375.01	11.75	-20.46
CCOC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1OC	REAL300012027499	0	48	0.0	-30.22	375.11	10.08	-20.14
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OCC(N)=O	REAL300012027500	0	49	0.0	-46.78	392.46	7.11	-39.67
C#CCOC1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027501	0	43	0.0	-30.36	350.24	10.73	-19.63
CCNC(=O)COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC	REAL300012027502	0	55	0.0	-44.67	435.88	9.40	-35.27
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC2=C1OCO2	REAL300012027503	0	44	0.0	-39.46	350.71	7.90	-31.56
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012027504	1	43	0.0	-46.57	349.71	9.73	-36.84
COC1=CC2=C(C=C1C[NH2+][C@H]1C3=CC=CC=C3C[C@H]1C(=O)[O-])OC(C)C2	REAL300012027505	0	49	0.0	-31.03	380.09	9.97	-21.06
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1C	REAL300012027507	0	44	0.0	-32.70	344.43	10.05	-22.65
CC(C)(C)C1=NNC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027508	0	46	0.0	-35.10	342.26	8.70	-26.40
COC1=CC=CC(OC)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027509	0	45	0.0	-27.15	351.42	8.68	-18.47
COC1=CC=C(F)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027510	0	41	0.0	-38.78	328.37	9.20	-29.58
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(I)=C1	REAL300012027511	0	37	0.0	-33.61	322.34	10.99	-22.62
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(I)C=C1	REAL300012027512	0	37	0.0	-38.19	322.56	11.02	-27.17
CSC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027513	0	38	0.0	-37.87	328.65	10.27	-27.60
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027514	0	50	0.0	-28.05	383.81	13.73	-14.32
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=C1OCO2	REAL300012027515	0	40	0.0	-30.44	320.52	8.54	-21.90
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Cl)C=CS1	REAL300012027516	0	34	0.0	-29.73	300.16	9.44	-20.29
CS(=O)(=O)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027517	0	43	0.0	-46.79	355.22	7.42	-39.37
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012027518	0	47	0.0	-32.66	386.04	13.90	-18.76
COC1=CC=C(F)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027519	0	41	0.0	-34.68	328.89	9.32	-25.36
NC(=O)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027520	0	41	0.0	-40.29	329.07	6.68	-33.61
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1F	REAL300012027521	0	41	0.0	-37.11	330.59	9.37	-27.74
COC1=CC=C(Cl)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027522	0	41	0.0	-33.39	339.21	9.77	-23.62
COC(=O)C1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CN1C	REAL300012027523	0	44	0.0	-37.05	354.32	10.21	-26.84
CC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1Cl	REAL300012027524	0	40	0.0	-32.29	330.59	11.06	-21.23
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1C	REAL300012027525	0	44	0.0	-32.15	344.71	10.00	-22.15
N#CC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(F)=C1	REAL300012027526	0	38	0.0	-37.20	321.24	10.42	-26.78
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012027527	0	50	0.0	-38.36	398.85	11.51	-26.85
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Br)C=N1	REAL300012027528	0	36	0.0	-43.47	310.85	8.68	-34.79
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012027529	0	46	0.0	-38.38	368.80	7.26	-31.12
C#CCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027530	0	46	0.0	-39.32	373.43	11.47	-27.85
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012027531	0	40	0.0	-49.11	322.28	10.44	-38.67
CC1=NN(C)C2=NC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=C12	REAL300012027532	0	45	0.0	-47.22	359.02	9.54	-37.68
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC(C2CC2)=N1	REAL300012027533	1	40	0.0	-32.16	331.67	9.24	-22.92
CCC1=NC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CS1	REAL300012027534	1	39	0.0	-42.02	323.29	8.40	-33.62
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012027535	0	40	0.0	-46.73	339.00	10.94	-35.79
CCOCC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OC	REAL300012027536	0	51	0.0	-32.75	398.44	10.21	-22.54
NC(=O)C1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027537	0	41	0.0	-36.18	329.11	6.67	-29.51
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012027538	1	40	0.0	-44.24	329.43	9.45	-34.79
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012027539	1	46	0.0	-35.43	385.78	9.48	-25.95
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1CCCCCCC1	REAL300012027540	0	49	0.0	-29.22	337.90	11.15	-18.07
COC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1F	REAL300012027541	0	41	0.0	-29.79	329.37	9.23	-20.56
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(F)C=CC=C1Br	REAL300012027542	1	37	0.0	-32.59	318.57	10.47	-22.12
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C2CCCC2=C1	REAL300012027543	0	44	0.0	-30.46	340.68	11.87	-18.59
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC=C1Br	REAL300012027544	0	34	0.0	-28.58	303.53	9.48	-19.10
CC(C)COC1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027545	0	50	0.0	-29.73	386.06	11.67	-18.06
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012027546	0	43	0.0	-31.41	343.62	9.67	-21.74
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012027547	0	37	0.0	-38.16	322.26	10.58	-27.58
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012027548	0	42	0.0	-35.86	335.91	10.49	-25.37
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(F)=C1Br	REAL300012027549	0	37	0.0	-39.15	305.91	10.24	-28.91
COC1=CC(F)=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027550	0	41	0.0	-38.77	330.46	9.27	-29.50
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(Br)=C1F	REAL300012027551	0	37	0.0	-44.49	319.54	10.52	-33.97
CC(C)(C)C1=NC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=N1	REAL300012027552	0	47	0.0	-35.85	366.73	9.92	-25.93
CS(=O)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027553	0	42	0.0	-56.90	347.01	8.51	-48.39
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012027554	0	47	0.0	-30.48	357.59	12.51	-17.97
COC(=O)C1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CN1	REAL300012027555	0	41	0.0	-34.61	336.20	8.33	-26.28
COCC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])O1	REAL300012027556	0	41	0.0	-33.08	331.22	8.03	-25.05
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=C1OC	REAL300012027557	0	48	0.0	-37.16	371.22	9.80	-27.36
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012027558	0	34	0.0	-27.42	315.55	9.89	-17.53
CC1=NC(F)=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027559	0	39	0.0	-38.08	311.42	8.59	-29.49
COC1=CC(C)=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027560	0	44	0.0	-31.05	344.45	9.93	-21.12
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012027561	0	36	0.0	-40.03	320.62	8.31	-31.72
CS(=O)(=O)C1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027562	0	43	0.0	-41.58	355.22	7.41	-34.17
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=CS1	REAL300012027563	0	34	0.0	-35.53	301.64	9.51	-26.02
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012027564	0	50	0.0	-29.72	379.35	13.18	-16.54
CC1=CC(Cl)=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027565	0	40	0.0	-32.34	333.03	11.18	-21.16
COCC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027566	0	44	0.0	-39.08	349.86	9.65	-29.43
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012027567	1	44	0.0	-31.67	351.57	11.65	-20.02
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012027568	0	44	0.0	-30.40	344.42	12.07	-18.33
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NC=C(Cl)S1	REAL300012027569	1	33	0.0	-31.77	296.93	7.69	-24.08
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NN1C1CCCC1	REAL300012027570	0	47	0.0	-39.22	356.56	10.47	-28.75
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027571	0	47	0.0	-31.88	368.30	11.53	-20.35
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012027572	0	40	0.0	-37.43	328.96	10.85	-26.58
COC1=CC(C)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=N1	REAL300012027573	0	46	0.0	-34.66	356.08	7.76	-26.90
COC1=CC=CC(Cl)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027574	0	41	0.0	-26.67	337.38	9.72	-16.95
CCC1=CC(OC)=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027575	0	47	0.0	-31.88	357.84	10.57	-21.31
CC1=NC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])N1C1=CC=CC=C1	REAL300012027576	0	47	0.0	-28.51	364.40	12.04	-16.47
CCCN1N=C(C)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1C	REAL300012027577	0	49	0.0	-33.40	379.06	10.38	-23.02
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012027578	0	42	0.0	-37.00	336.87	9.67	-27.33
COCCN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=N1	REAL300012027579	0	44	0.0	-42.54	352.62	7.61	-34.93
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012027580	0	47	0.0	-29.90	360.99	12.55	-17.35
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC2=CC=CC=C21	REAL300012027581	0	47	0.0	-33.92	369.64	11.55	-22.37
CCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1F	REAL300012027582	0	44	0.0	-36.31	352.44	10.31	-26.00
COC1=CC=CC2=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=CC=C12	REAL300012027583	0	47	0.0	-36.13	363.91	11.39	-24.74
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1C#N	REAL300012027584	0	42	0.0	-40.52	344.84	9.67	-30.85
CC1=CC=CC=C1N1N=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027585	0	47	0.0	-35.16	370.50	11.80	-23.36
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012027586	1	36	0.0	-33.30	320.44	8.24	-25.06
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1C#N	REAL300012027587	0	41	0.0	-37.86	334.88	10.90	-26.96
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012027588	0	44	0.0	-38.98	358.39	8.19	-30.79
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(Br)=C1	REAL300012027589	0	41	0.0	-31.77	340.61	9.83	-21.94
CC(C)CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=N1	REAL300012027590	0	46	0.0	-41.98	355.83	10.14	-31.84
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1C1CC1	REAL300012027591	0	44	0.0	-33.10	337.55	11.89	-21.21
CC1=CC(Br)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027592	0	37	0.0	-29.36	326.52	10.37	-18.99
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027593	0	52	0.0	-33.96	404.26	12.60	-21.36
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027594	0	47	0.0	-26.03	384.43	12.65	-13.38
CCC1=CN=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027595	1	39	0.0	-30.20	323.37	8.74	-21.46
CN1C(=O)CCC2=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CC=C21	REAL300012027596	0	48	0.0	-38.26	370.76	10.90	-27.36
CC1=CC=C(OC(F)F)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027597	0	44	0.0	-32.27	354.45	10.32	-21.95
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012027598	0	43	0.0	-38.22	376.89	11.49	-26.73
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012027599	0	43	0.0	-41.47	363.22	10.92	-30.55
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027600	0	54	0.0	-33.93	418.63	13.35	-20.58
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012027601	0	48	0.0	-32.17	392.88	12.29	-19.88
CC1=NN(C(C)C)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027602	0	46	0.0	-34.83	357.33	9.67	-25.16
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012027603	0	42	0.0	-41.67	351.75	10.91	-30.76
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012027604	0	46	0.0	-36.19	366.63	10.58	-25.61
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012027605	0	43	0.0	-41.59	367.75	11.15	-30.44
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C2CC2)S1	REAL300012027606	0	40	0.0	-37.02	333.06	9.57	-27.45
CC(C)C1=NC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027607	0	42	0.0	-31.56	344.15	9.28	-22.28
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012027608	0	40	0.0	-41.86	342.93	9.04	-32.82
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012027609	0	37	0.0	-34.32	331.25	11.03	-23.29
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012027610	0	49	0.0	-33.03	404.79	12.48	-20.55
CN1C=C(C2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300012027611	0	47	0.0	-35.99	374.99	11.30	-24.69
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012027612	0	40	0.0	-37.19	331.88	8.85	-28.34
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012027613	0	48	0.0	-40.53	390.93	12.90	-27.63
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012027614	0	47	0.0	-33.17	380.89	11.15	-22.02
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012027615	0	48	0.0	-37.53	395.37	11.48	-26.05
CN(C)C(=O)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])N1	REAL300012027616	0	45	0.0	-48.70	351.84	8.08	-40.62
NC(=O)C1=CSC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027617	0	38	0.0	-36.99	320.85	5.76	-31.23
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=N1	REAL300012027618	0	51	0.0	-37.23	404.84	13.16	-24.07
CCC1=NN(C)C(CC)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027619	0	49	0.0	-33.86	372.18	10.32	-23.54
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012027620	0	43	0.0	-36.58	349.62	10.06	-26.52
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012027621	0	44	0.0	-38.39	358.15	8.11	-30.28
CC1=CC=CC=C1N1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])N=N1	REAL300012027622	1	46	0.0	-49.33	368.40	10.68	-38.65
CN1N=C(Br)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027623	0	37	0.0	-37.58	317.54	8.09	-29.49
CN1C=C(C2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])S2)C=N1	REAL300012027624	0	44	0.0	-40.85	369.09	10.63	-30.22
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012027625	0	49	0.0	-43.41	373.84	10.80	-32.61
CCOC1=C(Cl)C=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027626	0	44	0.0	-29.02	361.88	10.79	-18.23
CCC1=CC=CC(F)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027627	0	43	0.0	-28.19	335.66	11.23	-16.96
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012027628	0	37	0.0	-41.36	319.04	10.64	-30.72
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NN(C(F)F)C=C1	REAL300012027629	1	37	0.0	-42.15	310.97	7.80	-34.35
COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027630	0	48	0.0	-38.27	380.73	10.33	-27.94
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012027631	1	41	0.0	-28.08	345.13	9.83	-18.25
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012027632	0	44	0.0	-40.41	354.76	10.93	-29.48
CC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012027633	0	50	0.0	-33.12	391.17	11.75	-21.37
CC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012027634	0	50	0.0	-36.10	386.69	11.47	-24.63
CC(C)C1=CN=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027635	1	42	0.0	-30.07	343.32	9.32	-20.75
CC1=CC(Br)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1Cl	REAL300012027636	0	40	0.0	-31.42	335.66	11.30	-20.12
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012027637	0	47	0.0	-33.56	393.85	11.86	-21.70
CC(C)(C)C1=CN=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027638	1	45	0.0	-30.87	361.42	9.72	-21.15
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(C2CC2)N=CS1	REAL300012027639	0	40	0.0	-35.21	329.29	9.31	-25.90
N#CCCN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012027640	0	50	0.0	-37.60	407.92	10.88	-26.72
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012027641	0	43	0.0	-30.67	346.30	13.41	-17.26
COC(=O)C1=C(C)N(C)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027642	0	47	0.0	-37.60	371.79	10.51	-27.09
COCCCN1N=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027643	0	47	0.0	-32.63	358.36	8.00	-24.63
CC1=CC(F)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(Cl)=C1	REAL300012027644	1	40	0.0	-29.13	330.86	10.90	-18.23
COCCOCC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027645	0	51	0.0	-41.01	405.08	9.86	-31.15
CSCC1=CN=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027646	1	40	0.0	-31.15	346.60	9.18	-21.97
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012027647	0	37	0.0	-29.41	315.07	9.94	-19.47
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012027648	0	43	0.0	-42.77	365.16	12.44	-30.33
CCN1N=C(C)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=N1	REAL300012027649	1	42	0.0	-31.30	330.65	7.40	-23.90
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012027650	0	51	0.0	-35.07	417.97	12.30	-22.77
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012027651	0	44	0.0	-30.59	344.07	12.11	-18.48
N#CC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1F	REAL300012027652	0	38	0.0	-41.11	321.61	10.44	-30.67
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012027653	0	40	0.0	-46.62	334.14	9.00	-37.62
CC1=CC(F)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(F)=C1	REAL300012027654	1	40	0.0	-33.56	325.56	10.59	-22.97
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])O1	REAL300012027655	0	47	0.0	-29.61	378.62	10.32	-19.29
CC(C)CN1N=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027656	0	46	0.0	-38.65	353.57	10.00	-28.65
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012027657	0	36	0.0	-33.16	323.39	9.19	-23.97
COC(=O)C1=C(C)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CN1	REAL300012027658	0	44	0.0	-34.36	352.19	8.91	-25.45
CC1=CC=C(C2=NC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])S2)C=C1C	REAL300012027659	0	49	0.0	-38.63	397.93	12.13	-26.50
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027660	0	47	0.0	-39.86	377.97	11.92	-27.94
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027661	0	47	0.0	-37.48	385.70	12.46	-25.02
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027662	0	50	0.0	-38.60	394.90	12.40	-26.20
CC(C)(C#N)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027663	0	47	0.0	-43.98	371.16	11.85	-32.13
CC(C)C1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027664	0	46	0.0	-29.32	348.75	11.79	-17.53
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NN2CCCCC2=C1	REAL300012027665	1	44	0.0	-42.63	339.90	9.26	-33.37
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012027666	0	43	0.0	-40.08	346.14	9.56	-30.52
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012027667	0	39	0.0	-45.96	317.33	8.70	-37.26
COC1=CC(OC)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1F	REAL300012027668	0	45	0.0	-37.60	358.29	8.63	-28.97
COC1=CC(F)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC	REAL300012027669	0	45	0.0	-42.20	357.64	9.11	-33.09
CC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(Cl)=C1	REAL300012027670	0	40	0.0	-29.76	328.97	11.12	-18.64
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027671	0	50	0.0	-38.13	394.55	12.35	-25.78
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(F)=C1	REAL300012027672	0	41	0.0	-33.05	329.90	9.32	-23.73
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=C1CCC2	REAL300012027673	0	44	0.0	-34.91	337.39	11.76	-23.15
COC1=CC=CC(F)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027674	0	41	0.0	-27.33	328.64	9.33	-18.00
CCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=C1	REAL300012027675	0	50	0.0	-35.33	382.22	11.55	-23.78
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012027676	0	39	0.0	-35.20	327.03	9.76	-25.44
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012027677	0	40	0.0	-43.36	343.90	11.04	-32.32
CCC1=C2OC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CC2=CC=C1	REAL300012027678	0	46	0.0	-44.23	365.50	11.86	-32.37
C=CCCN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])N=N1	REAL300012027679	1	43	0.0	-51.48	347.27	8.55	-42.93
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NN1CC1CC1	REAL300012027680	0	44	0.0	-34.76	349.62	9.94	-24.82
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012027681	0	45	0.0	-29.65	360.46	10.95	-18.70
CCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=C1	REAL300012027682	0	47	0.0	-35.51	360.72	10.75	-24.76
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012027683	0	41	0.0	-31.66	338.89	9.62	-22.04
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012027684	0	41	0.0	-36.62	338.70	9.59	-27.03
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012027685	0	50	0.0	-30.16	379.13	13.22	-16.94
CN1C=C(C2=NN(C)C=C2C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=N1	REAL300012027686	0	47	0.0	-32.67	377.57	8.88	-23.79
COCC1=CSC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027687	0	41	0.0	-36.92	340.10	8.74	-28.18
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012027688	1	43	0.0	-51.06	337.49	8.42	-42.64
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012027689	0	43	0.0	-37.92	376.35	11.44	-26.48
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012027690	0	37	0.0	-34.43	325.51	10.16	-24.27
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012027691	0	37	0.0	-35.37	316.80	9.37	-26.00
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012027692	0	37	0.0	-27.09	317.67	10.01	-17.08
CN(C)C1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=CC(F)=C1F	REAL300012027693	0	45	0.0	-30.69	354.64	9.95	-20.74
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012027694	1	37	0.0	-33.03	314.25	10.25	-22.78
CC(C)OC1=CC(Cl)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1Cl	REAL300012027695	0	47	0.0	-33.97	384.95	11.63	-22.34
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012027696	0	49	0.0	-38.46	380.80	9.55	-28.91
CN(C)C1=CC(F)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1F	REAL300012027697	0	45	0.0	-33.90	360.96	9.45	-24.45
COC(=O)C1=C2CCCCN2C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027698	0	51	0.0	-34.11	393.11	11.53	-22.58
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012027699	0	37	0.0	-49.78	311.48	10.05	-39.73
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012027700	0	44	0.0	-34.52	363.12	10.31	-24.21
C=CCOC1=C(Cl)C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC	REAL300012027701	0	49	0.0	-37.73	408.01	11.26	-26.47
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC1CC1	REAL300012027702	0	49	0.0	-40.92	384.42	10.81	-30.11
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027703	0	40	0.0	-35.52	332.43	8.36	-27.16
COCC(C)OC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027704	0	51	0.0	-42.13	394.38	10.03	-32.10
CCCC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027705	0	43	0.0	-29.75	349.94	11.48	-18.27
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012027706	0	44	0.0	-37.39	361.93	12.52	-24.87
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012027707	0	50	0.0	-39.92	391.11	12.28	-27.64
CC(C)C1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027708	0	46	0.0	-36.06	355.00	11.84	-24.22
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(Cl)=N1	REAL300012027709	0	37	0.0	-42.76	313.27	8.09	-34.67
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012027710	0	44	0.0	-29.68	371.63	10.76	-18.92
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300012027711	0	53	0.0	-31.81	395.52	11.99	-19.82
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012027712	0	50	0.0	-35.81	385.67	13.41	-22.40
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027713	0	45	0.0	-33.90	367.86	9.18	-24.72
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=NC=C1Br	REAL300012027714	0	39	0.0	-43.57	330.02	9.30	-34.27
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C(Br)C=C1F	REAL300012027715	0	40	0.0	-35.61	326.94	10.90	-24.71
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(O)C=CC=C1Br	REAL300012027716	0	38	0.0	-27.48	322.66	7.71	-19.77
CN1C=C(C2=NC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CS2)C=N1	REAL300012027717	1	43	0.0	-36.53	364.64	8.54	-27.99
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1Cl	REAL300012027718	0	41	0.0	-35.51	340.38	9.85	-25.66
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NN1CC1CCC1	REAL300012027719	0	47	0.0	-32.34	359.51	10.29	-22.05
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012027720	1	43	0.0	-53.10	354.02	9.80	-43.30
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012027721	0	43	0.0	-28.10	343.83	11.56	-16.54
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(Br)=N1	REAL300012027722	1	37	0.0	-41.08	315.48	8.09	-32.99
CC(=O)NC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027723	0	44	0.0	-46.00	350.86	8.82	-37.18
CN1N=CC2=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CN=C21	REAL300012027724	0	42	0.0	-41.54	339.09	9.06	-32.48
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NC=C(Br)C=C1F	REAL300012027725	1	36	0.0	-35.21	316.32	8.69	-26.52
COC1=CC(Cl)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC	REAL300012027726	0	45	0.0	-37.18	356.71	9.33	-27.85
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012027727	0	43	0.0	-38.49	355.53	11.68	-26.81
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027728	0	57	0.0	-38.76	442.45	10.34	-28.42
CN1N=C2CCCCC2=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027729	0	47	0.0	-35.51	358.21	9.98	-25.53
CCOC(=O)C1=C(C)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C(C)N1	REAL300012027730	0	50	0.0	-31.36	391.18	10.19	-21.17
CC1=C(C)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CS1	REAL300012027731	0	40	0.0	-34.76	319.93	10.21	-24.55
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012027732	0	36	0.0	-38.61	312.71	8.64	-29.97
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012027733	0	47	0.0	-34.11	388.13	13.93	-20.18
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012027734	0	37	0.0	-47.97	325.77	10.59	-37.38
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Br)SC=C1	REAL300012027735	0	34	0.0	-33.33	294.62	9.33	-24.00
CCOC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C(F)C=C1OC	REAL300012027736	0	48	0.0	-42.05	379.48	10.04	-32.01
COC1=NC=C(Br)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027737	0	40	0.0	-31.16	341.60	7.26	-23.90
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012027738	0	43	0.0	-37.15	341.06	12.06	-25.09
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CN=C1Br	REAL300012027739	1	36	0.0	-39.19	295.44	8.32	-30.87
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C(F)C=C1Br	REAL300012027740	0	41	0.0	-42.54	348.83	9.86	-32.68
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012027741	0	37	0.0	-38.82	317.48	10.68	-28.14
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012027742	0	41	0.0	-27.23	345.57	9.84	-17.39
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027743	0	47	0.0	-33.40	368.73	10.91	-22.49
CCOC1=CC(F)=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027744	0	44	0.0	-38.79	352.32	10.19	-28.60
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012027745	0	51	0.0	-40.17	391.10	10.98	-29.19
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012027746	0	41	0.0	-33.84	339.66	9.60	-24.24
CC(C)(C)OC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027747	0	50	0.0	-34.05	375.39	11.07	-22.98
CC1=C(Cl)C=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027748	0	40	0.0	-33.16	323.43	10.95	-22.21
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C(F)C=C1C	REAL300012027749	0	44	0.0	-40.36	348.49	9.94	-30.42
CC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=C1Br	REAL300012027750	0	43	0.0	-31.01	346.27	11.67	-19.34
CC1=CC=NC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1Br	REAL300012027751	1	39	0.0	-28.15	326.85	9.27	-18.88
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027752	0	54	0.0	-44.58	416.65	10.17	-34.41
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012027753	0	47	0.0	-41.24	382.40	11.30	-29.94
CC(C)(C)C1=CSC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=N1	REAL300012027754	1	45	0.0	-30.31	360.08	9.61	-20.70
COCCC1=NC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027755	0	43	0.0	-33.42	357.04	7.75	-25.67
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012027758	1	38	0.0	-36.04	316.97	7.24	-28.80
CN1N=C2CCSCC2=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027759	0	45	0.0	-39.96	355.64	9.45	-30.51
CCN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012027760	0	50	0.0	-42.63	390.20	11.89	-30.74
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012027761	0	45	0.0	-32.32	341.93	9.92	-22.40
COCC1=C(C)C=C(C)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1C	REAL300012027762	0	53	0.0	-32.11	388.23	10.91	-21.20
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012027763	0	39	0.0	-42.48	322.64	10.55	-31.93
CC1=C(Br)C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027764	0	37	0.0	-30.92	326.45	10.47	-20.45
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012027765	0	47	0.0	-38.35	386.11	13.86	-24.49
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012027766	0	42	0.0	-38.96	330.89	10.17	-28.79
CCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1C	REAL300012027767	0	50	0.0	-31.89	388.07	11.73	-20.16
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012027768	0	41	0.0	-38.12	330.89	8.42	-29.70
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1CN1C=CC=N1	REAL300012027769	0	51	0.0	-33.93	407.07	10.98	-22.95
CCOC1=CC=CC(F)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027770	0	44	0.0	-27.09	350.55	10.26	-16.83
CC1=CC=C(Br)C(F)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027771	0	40	0.0	-26.00	329.39	10.88	-15.12
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012027772	0	42	0.0	-36.72	332.97	11.00	-25.72
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027773	0	45	0.0	-45.10	345.22	11.34	-33.76
COC1=CC=C(CN2C=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])N=N2)C=C1	REAL300012027774	1	50	0.0	-56.62	402.95	9.59	-47.03
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(F)=C1OC	REAL300012027775	0	45	0.0	-30.57	362.54	9.23	-21.34
COC(=O)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(F)=C1	REAL300012027776	0	43	0.0	-37.65	355.18	10.69	-26.96
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012027777	0	47	0.0	-35.75	381.99	10.32	-25.43
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012027778	0	51	0.0	-37.67	405.82	13.17	-24.50
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012027779	0	44	0.0	-31.92	357.46	10.50	-21.42
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)C=N1	REAL300012027780	0	36	0.0	-43.49	306.24	8.57	-34.92
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027781	0	53	0.0	-35.07	412.07	13.08	-21.99
CC1=CC(C#N)=CC(C)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027782	0	44	0.0	-35.23	349.16	11.46	-23.77
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(CCF)N=C1	REAL300012027783	0	40	0.0	-36.01	325.48	8.70	-27.31
CCCC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027785	0	46	0.0	-36.39	358.92	12.12	-24.27
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012027786	1	43	0.0	-43.69	376.89	11.25	-32.44
COC1=CC=C(C2=NC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CS2)C=C1	REAL300012027787	1	47	0.0	-44.29	389.60	10.05	-34.24
CC1=C2C=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=NC2=NN1	REAL300012027789	0	42	0.0	-54.95	336.41	8.37	-46.58
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027790	0	45	0.0	-38.57	371.48	6.53	-32.04
CN1N=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C2=CC=CC=C21	REAL300012027791	0	43	0.0	-33.80	344.84	9.92	-23.88
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012027792	0	40	0.0	-41.12	321.54	8.51	-32.61
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NNC2=CC=CC=C21	REAL300012027792	1	40	0.0	-32.64	320.59	8.54	-24.10
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027793	1	37	0.0	-42.19	326.30	9.15	-33.04
CCC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027794	0	40	0.0	-29.82	328.45	10.70	-19.12
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012027795	0	42	0.0	-29.97	326.02	10.03	-19.94
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])N2C=CC=CC2=N1	REAL300012027796	0	43	0.0	-40.89	337.60	10.76	-30.13
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027797	0	57	0.0	-35.88	416.09	12.14	-23.74
CCC1=NC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027798	0	39	0.0	-36.41	322.73	8.62	-27.79
COC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])SC=C1	REAL300012027799	0	38	0.0	-31.61	314.70	8.31	-23.30
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012027800	0	43	0.0	-38.07	350.80	8.13	-29.94
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC=C1Cl	REAL300012027801	0	34	0.0	-28.91	299.88	9.38	-19.53
CC1=NN2C(=NC(C)=C2C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027802	0	42	0.0	-33.34	345.36	8.97	-24.37
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027803	0	48	0.0	-32.14	385.90	10.23	-21.91
CCCC(C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012027804	0	49	0.0	-33.25	369.24	12.68	-20.57
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012027805	0	42	0.0	-29.45	342.25	10.67	-18.78
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012027806	0	37	0.0	-41.68	325.50	10.19	-31.49
CN(C)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C(F)(F)F)=C1	REAL300012027807	0	48	0.0	-35.40	376.22	11.39	-24.01
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027808	0	47	0.0	-33.20	377.08	12.53	-20.67
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027809	0	46	0.0	-36.15	385.09	11.60	-24.55
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012027810	0	56	0.0	-38.60	431.66	13.40	-25.20
CC(C)C1CCC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])CC1	REAL300012027811	0	52	0.0	-36.27	372.24	12.01	-24.26
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012027812	0	40	0.0	-43.80	352.74	11.17	-32.63
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012027813	0	40	0.0	-50.15	343.60	11.05	-39.10
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027814	0	48	0.0	-37.86	380.33	11.28	-26.58
COCC1=CC=CC=C1C=C(C)C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027815	0	51	0.0	-39.18	393.96	11.53	-27.65
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027816	0	47	0.0	-36.48	363.54	10.76	-25.72
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012027817	0	46	0.0	-37.18	367.20	11.55	-25.63
CN1N=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1Cl	REAL300012027818	0	37	0.0	-33.04	313.13	8.04	-25.00
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012027819	0	39	0.0	-51.77	317.33	7.37	-44.40
COC1=CC=C(N2C=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=N2)C=C1	REAL300012027820	0	48	0.0	-38.76	383.72	10.44	-28.32
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027821	0	52	0.0	-36.90	414.75	13.26	-23.64
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012027822	0	39	0.0	-50.55	334.73	7.92	-42.63
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012027823	0	44	0.0	-35.14	343.71	12.01	-23.13
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NC=C1Br	REAL300012027824	0	36	0.0	-32.92	305.70	8.82	-24.10
CS(=O)(=O)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027825	0	40	0.0	-48.35	347.62	6.58	-41.77
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012027826	0	43	0.0	-33.15	347.02	10.70	-22.45
NS(=O)(=O)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(F)=C1	REAL300012027827	0	42	0.0	-42.06	354.60	5.00	-37.06
CC1=C(Br)C=NC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027829	0	39	0.0	-37.02	323.14	9.29	-27.73
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027830	0	40	0.0	-34.63	332.84	8.55	-26.08
CN1N=CC(C2CC2)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027831	0	44	0.0	-34.38	345.91	9.60	-24.78
CN1N=CC(C2CCC2)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027832	0	47	0.0	-36.44	356.05	9.86	-26.58
CC1=C2C=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])NC2=CC=C1	REAL300012027833	0	44	0.0	-39.29	347.42	10.48	-28.81
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012027834	0	43	0.0	-40.92	341.70	9.13	-31.79
CC1=CC=C2C=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])NC2=C1	REAL300012027835	0	44	0.0	-39.41	347.85	10.49	-28.92
CCOC1=CN=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027836	0	43	0.0	-34.28	341.42	8.36	-25.92
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NC=C1Cl	REAL300012027837	0	36	0.0	-33.36	302.10	8.71	-24.65
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012027838	0	48	0.0	-34.07	365.10	8.38	-25.69
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=NNC=C21	REAL300012027839	0	40	0.0	-37.68	321.31	8.67	-29.01
CCC(F)(F)C(C)(C)C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027840	0	45	0.0	-36.50	334.04	10.27	-26.23
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012027841	0	41	0.0	-37.88	325.90	9.91	-27.97
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012027842	0	40	0.0	-45.58	327.25	7.38	-38.20
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012027843	0	39	0.0	-44.34	322.59	9.01	-35.33
CN(C)C1=CC=C(C#N)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027844	0	46	0.0	-37.34	366.38	10.32	-27.02
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012027845	1	47	0.0	-55.31	365.52	7.35	-47.96
COC1=CN=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1C	REAL300012027846	0	43	0.0	-34.30	333.72	8.18	-26.12
CC1=CC(C)=C(C=CC[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=C1	REAL300012027847	0	50	0.0	-32.66	384.92	13.14	-19.52
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012027848	0	57	0.0	-40.81	434.63	8.79	-32.02
CC(C)(C)OC(=O)NC(C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-])CC(F)F	REAL300012027849	0	53	0.0	-40.65	405.12	8.84	-31.81
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012027850	1	47	0.0	-56.56	368.65	7.67	-48.89
CCCN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])N=N1	REAL300012027851	1	42	0.0	-52.01	335.00	8.05	-43.96
CN(C)C1=CC=C(F)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027852	0	45	0.0	-33.49	352.57	9.99	-23.50
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012027853	0	42	0.0	-40.06	342.57	10.40	-29.66
CC1=CC(C)=C(C=CC[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1C	REAL300012027854	0	50	0.0	-36.98	381.66	12.91	-24.07
NS(=O)(=O)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027855	0	42	0.0	-46.64	349.03	4.87	-41.77
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012027856	0	46	0.0	-40.93	347.62	10.41	-30.52
CC1=NN(C)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1Cl	REAL300012027857	1	40	0.0	-34.34	334.28	8.67	-25.67
CN1C=CC(C2=NC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CS2)=N1	REAL300012027858	1	43	0.0	-39.39	364.51	8.48	-30.91
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300012027859	0	50	0.0	-35.28	382.81	10.80	-24.48
CC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1Br	REAL300012027860	0	40	0.0	-27.44	328.99	11.02	-16.42
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012027861	0	48	0.0	-36.19	390.40	12.88	-23.31
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012027862	0	45	0.0	-33.09	348.58	10.65	-22.44
CN(C)C(=O)C1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027863	0	47	0.0	-36.09	367.00	9.76	-26.33
CCC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(Cl)=NN1	REAL300012027864	0	40	0.0	-40.00	331.08	7.95	-32.05
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012027865	0	41	0.0	-32.91	342.47	8.99	-23.92
CCC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=NO1	REAL300012027866	0	42	0.0	-34.95	334.63	9.62	-25.33
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C2CCCCC2=N1	REAL300012027867	0	49	0.0	-37.92	367.14	11.08	-26.84
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012027868	0	52	0.0	-29.03	389.82	11.93	-17.10
CCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])O1	REAL300012027869	0	41	0.0	-33.07	330.74	9.47	-23.60
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012027870	1	36	0.0	-35.98	320.50	8.12	-27.86
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CN=C1F	REAL300012027871	0	39	0.0	-37.93	316.49	8.80	-29.13
CC1=CC(F)=NC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027872	0	39	0.0	-43.00	311.77	8.62	-34.38
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012027873	0	40	0.0	-38.13	334.55	10.93	-27.20
COC(=O)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1C	REAL300012027874	0	46	0.0	-36.58	365.06	11.27	-25.31
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=C1	REAL300012027875	0	44	0.0	-36.46	339.39	9.75	-26.71
CC1=C(Cl)C=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1Cl	REAL300012027876	0	40	0.0	-28.22	339.95	11.35	-16.87
N#CC1=CC=C(Br)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027877	0	38	0.0	-33.59	331.43	10.99	-22.60
CC1CC2=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CC=C2O1	REAL300012027878	0	45	0.0	-38.16	351.38	10.49	-27.67
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012027879	0	40	0.0	-38.06	326.91	7.45	-30.61
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=C1OCC2	REAL300012027880	0	42	0.0	-30.53	330.60	9.75	-20.78
CSCC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027881	0	44	0.0	-38.68	360.92	11.81	-26.87
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012027882	0	47	0.0	-34.99	367.64	10.68	-24.31
CN1N=C2CCOCC2=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027883	0	45	0.0	-38.16	350.52	7.61	-30.55
CN1N=C2CCCC2=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027884	0	44	0.0	-38.53	340.33	9.33	-29.20
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NN1C1CCC1	REAL300012027885	0	44	0.0	-35.23	341.61	9.89	-25.34
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012027886	0	44	0.0	-41.78	342.69	9.68	-32.10
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027887	0	50	0.0	-31.42	396.87	11.49	-19.93
COC(=O)COC1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027888	0	47	0.0	-31.93	378.95	10.85	-21.08
COC1=CC=C(C)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027889	0	44	0.0	-39.98	339.39	9.74	-30.24
CN1C=NC2=CC=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=C21	REAL300012027890	0	43	0.0	-41.70	330.46	11.16	-30.54
CN(C)C(=O)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027891	0	47	0.0	-38.52	360.38	9.47	-29.05
CC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=C1C	REAL300012027892	0	46	0.0	-34.90	344.08	11.63	-23.27
CCNC(=O)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027893	0	47	0.0	-40.15	372.67	9.04	-31.11
CC(C)(C)C1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027894	0	49	0.0	-31.42	353.34	11.87	-19.55
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C2CCCCCN12	REAL300012027895	0	47	0.0	-31.71	347.10	10.17	-21.54
COC1=CC=C2SC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CC2=C1	REAL300012027896	0	44	0.0	-33.52	361.83	10.83	-22.69
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027897	0	53	0.0	-47.89	405.31	11.54	-36.35
CCN1CCC2=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CC=C21	REAL300012027898	0	49	0.0	-37.41	373.87	10.52	-26.89
CCN(C)C(=O)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027899	0	50	0.0	-40.89	387.85	10.72	-30.17
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=NN1C(C)C	REAL300012027900	0	46	0.0	-41.60	357.50	9.68	-31.92
CSC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1Cl	REAL300012027901	0	41	0.0	-34.67	350.08	11.47	-23.20
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1C1CC1	REAL300012027902	0	47	0.0	-30.21	362.17	12.57	-17.64
CCOC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=N1	REAL300012027903	0	43	0.0	-35.28	343.83	7.65	-27.63
CC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1C1CC1	REAL300012027904	0	47	0.0	-30.52	361.31	12.64	-17.88
CC1=NN(C2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C(C)=C2)C=C1	REAL300012027905	0	50	0.0	-38.31	389.85	12.32	-25.99
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012027906	0	43	0.0	-39.19	365.74	11.77	-27.42
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027907	0	47	0.0	-36.65	384.91	12.21	-24.44
CCC1=CC(Br)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012027908	0	40	0.0	-29.19	348.18	11.16	-18.03
CC1=NN(C2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=C2)C=C1Cl	REAL300012027909	0	47	0.0	-38.73	391.48	12.18	-26.55
COC(=O)C1=CC2=C(C=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])O2)N1	REAL300012027910	0	44	0.0	-49.78	363.32	8.71	-41.07
COCCOC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])O1	REAL300012027911	0	45	0.0	-34.38	364.37	8.70	-25.68
CC(C)(C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012027912	0	46	0.0	-36.19	364.41	12.25	-23.94
CC1=NN(C(C)C)C(C)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027913	0	49	0.0	-33.29	378.67	10.33	-22.96
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NN(CCF)C=C1	REAL300012027914	1	40	0.0	-43.13	325.68	8.61	-34.52
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012027915	0	37	0.0	-37.35	332.57	11.01	-26.34
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=C1	REAL300012027916	0	53	0.0	-27.63	407.32	14.55	-13.08
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300012027917	0	44	0.0	-34.75	350.03	9.99	-24.76
COC1=CC=CC(C2=CSC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=N2)=C1	REAL300012027918	0	47	0.0	-33.97	387.82	10.09	-23.88
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027919	0	57	0.0	-41.54	442.70	10.38	-31.16
COC(=O)C1=C2COCCN2C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027920	0	49	0.0	-35.38	385.51	9.18	-26.20
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012027921	0	54	0.0	-37.54	409.91	11.90	-25.64
CN1N=C(C2CC2)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027922	0	44	0.0	-35.14	343.30	9.46	-25.68
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027923	0	47	0.0	-41.24	365.83	12.81	-28.43
CC(C)C1=NOC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027924	0	42	0.0	-35.58	333.37	9.24	-26.34
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012027925	0	41	0.0	-26.78	350.83	8.80	-17.98
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012027926	0	47	0.0	-35.65	367.47	6.48	-29.17
COC1=NC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1F	REAL300012027927	0	40	0.0	-30.70	327.02	6.63	-24.07
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012027928	1	37	0.0	-27.18	319.88	10.66	-16.52
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012027929	0	37	0.0	-46.94	325.18	10.57	-36.37
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN2C=CN=C2S1	REAL300012027930	0	37	0.0	-48.23	311.92	9.86	-38.37
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012027931	0	49	0.0	-37.60	377.35	11.44	-26.16
CC1=C(C)SC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=N1	REAL300012027932	0	39	0.0	-31.46	322.01	8.43	-23.03
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012027933	1	46	0.0	-54.09	373.44	10.29	-43.80
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])CC1	REAL300012027934	0	57	0.0	-44.67	418.36	10.94	-33.73
CC1=CC(Br)=CN=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027935	0	39	0.0	-42.43	328.04	9.20	-33.23
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012027936	0	43	0.0	-39.52	368.67	7.84	-31.68
CC1OC2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=C2C1C	REAL300012027937	0	48	0.0	-39.44	372.18	11.11	-28.33
CC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OC(F)F	REAL300012027938	0	44	0.0	-32.18	354.46	10.28	-21.90
CC1=NC(Cl)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1Br	REAL300012027939	0	39	0.0	-37.02	333.02	9.40	-27.62
CC(C)CC1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027940	0	49	0.0	-29.16	365.67	12.46	-16.70
CN1N=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1S(C)(=O)=O	REAL300012027941	1	43	0.0	-40.68	345.48	5.28	-35.40
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])NN=C1C(F)(F)F	REAL300012027942	0	40	0.0	-39.36	330.24	7.76	-31.60
CC(C)CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])N=N1	REAL300012027943	1	45	0.0	-51.88	354.80	8.80	-43.08
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NC(C2CC2)=CS1	REAL300012027944	1	40	0.0	-31.28	330.78	9.24	-22.04
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012027945	0	37	0.0	-39.20	315.55	7.24	-31.96
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C2CCOC2=C1	REAL300012027946	0	42	0.0	-33.26	330.97	9.80	-23.46
CS(=O)(=O)C1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=CS1	REAL300012027948	1	40	0.0	-40.48	338.47	6.98	-33.50
CSC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027949	0	41	0.0	-34.49	335.04	10.94	-23.55
CC(C)C1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])N(C)N=C1	REAL300012027950	0	46	0.0	-35.95	350.88	9.21	-26.74
CC1=C(Br)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C(C)S1	REAL300012027951	0	40	0.0	-24.94	337.88	10.68	-14.26
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012027952	0	47	0.0	-41.12	380.17	11.33	-29.79
CCCN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=N1	REAL300012027953	0	46	0.0	-34.79	360.13	9.92	-24.87
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012027954	0	39	0.0	-44.02	317.32	8.61	-35.41
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012027955	0	44	0.0	-37.53	360.47	12.18	-25.35
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012027956	0	45	0.0	-40.49	355.00	10.85	-29.64
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012027957	0	41	0.0	-32.78	346.40	9.82	-22.96
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012027958	0	43	0.0	-34.40	365.75	11.77	-22.63
CC1=NC=CN1C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=C1	REAL300012027959	0	50	0.0	-41.20	389.32	13.00	-28.20
CC1=C(C)N(C2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300012027960	0	50	0.0	-42.95	395.40	13.64	-29.31
CNC(=O)C1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027961	0	44	0.0	-36.17	351.30	8.20	-27.97
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012027962	0	51	0.0	-30.68	390.20	14.04	-16.64
CCNC(=O)C1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027964	0	47	0.0	-35.50	372.53	9.01	-26.49
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012027965	0	43	0.0	-43.32	349.40	11.10	-32.22
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012027966	0	44	0.0	-37.69	341.62	8.81	-28.88
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027967	0	47	0.0	-37.00	370.99	10.93	-26.07
CC(C)(C)C1=CN=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027968	0	48	0.0	-32.58	366.55	10.45	-22.13
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012027969	1	40	0.0	-47.84	337.00	8.97	-38.87
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012027970	0	47	0.0	-35.90	363.68	12.05	-23.85
CN1C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=NC2=C1CCCC2	REAL300012027971	1	47	0.0	-27.17	353.33	10.44	-16.73
COC1=NC(Cl)=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027972	0	40	0.0	-30.10	337.13	7.08	-23.02
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300012027973	0	40	0.0	-28.67	331.42	8.67	-20.00
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012027974	0	40	0.0	-29.95	330.32	10.77	-19.18
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=C1COCC2	REAL300012027975	0	45	0.0	-31.04	341.90	9.95	-21.09
CCOC1=CC=C(Cl)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027976	0	44	0.0	-32.55	361.14	10.70	-21.85
COC1=NN(C)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027977	0	41	0.0	-34.77	330.92	5.75	-29.02
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NC2=C(COCC2)S1	REAL300012027978	1	41	0.0	-32.17	334.51	7.26	-24.91
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012027979	0	44	0.0	-37.55	346.14	9.91	-27.64
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012027980	0	44	0.0	-40.01	338.92	10.73	-29.28
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012027981	0	39	0.0	-40.69	329.21	10.64	-30.05
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012027982	0	50	0.0	-42.18	380.05	10.99	-31.19
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012027983	0	44	0.0	-33.76	368.34	11.37	-22.39
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012027984	1	37	0.0	-33.37	325.45	10.54	-22.83
CN(CCO)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=N1	REAL300012027985	0	48	0.0	-40.60	374.15	7.46	-33.14
COC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012027986	0	53	0.0	-30.33	387.48	11.57	-18.76
CN1C=C(Br)N=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012027987	1	37	0.0	-27.40	312.39	8.66	-18.74
COC1=CC(C)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=N1	REAL300012027988	0	43	0.0	-40.14	337.52	7.15	-32.99
COC1=CC(C)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1O	REAL300012027989	0	45	0.0	-40.75	349.56	7.64	-33.11
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012027990	0	43	0.0	-55.80	350.68	9.03	-46.77
CN1C(=O)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC2=CC=CC=C21	REAL300012027991	0	46	0.0	-53.45	360.40	10.69	-42.76
COC1=NC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1C	REAL300012027992	0	43	0.0	-33.56	342.16	7.40	-26.16
CC1=CC(C)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=C1Br	REAL300012027993	0	46	0.0	-30.28	358.94	11.91	-18.37
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012027994	0	44	0.0	-40.39	352.42	9.90	-30.49
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012027995	0	50	0.0	-37.07	385.85	13.44	-23.63
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012027996	0	47	0.0	-41.16	390.99	10.69	-30.47
CCC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=NN1CC	REAL300012027997	0	46	0.0	-39.96	354.02	9.79	-30.17
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012027998	1	37	0.0	-36.77	321.42	10.48	-26.29
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012027999	0	54	0.0	-41.62	416.16	10.13	-31.49
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012028000	0	41	0.0	-36.76	334.12	9.33	-27.43
COC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=CS1	REAL300012028001	0	38	0.0	-30.93	316.13	8.32	-22.61
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012028002	0	40	0.0	-30.79	334.79	9.83	-20.96
CC(F)(F)C1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012028003	0	43	0.0	-35.01	347.74	11.42	-23.59
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012028004	0	43	0.0	-43.58	357.50	10.67	-32.91
CN1C=C(C2=NNC=C2C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=N1	REAL300012028005	0	44	0.0	-32.44	354.73	7.61	-24.83
CCCN1N=C(C)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1Cl	REAL300012028006	0	46	0.0	-31.36	377.46	10.31	-21.05
CC(C)(C#N)C1=NC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])S1	REAL300012028007	0	43	0.0	-38.86	361.30	9.37	-29.49
COC1=CC=C(Br)C(F)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028008	1	41	0.0	-37.81	347.60	9.87	-27.94
N#CC1=CC(F)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(Br)=C1	REAL300012028009	1	38	0.0	-31.27	330.72	10.60	-20.67
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012028010	0	37	0.0	-43.88	312.63	10.13	-33.75
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012028011	0	44	0.0	-32.04	360.67	12.39	-19.65
CC(C)(C)C1=NNC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012028012	0	46	0.0	-38.14	356.47	8.73	-29.41
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012028013	0	43	0.0	-34.94	352.24	12.52	-22.42
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012028014	0	37	0.0	-45.80	334.31	10.98	-34.82
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012028015	0	54	0.0	-27.65	404.67	12.79	-14.86
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012028016	0	48	0.0	-39.90	401.26	13.35	-26.55
C=CCC1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028017	0	44	0.0	-29.58	341.98	11.86	-17.72
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012028018	0	57	0.0	-31.71	425.15	13.51	-18.20
COC1=CC=CC(OC2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=C2)=C1	REAL300012028019	0	52	0.0	-41.65	412.35	12.02	-29.63
CCN1CCCC2=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=CC=C21	REAL300012028020	0	52	0.0	-30.90	384.11	11.15	-19.75
COCC1=CN=C(OC)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012028021	0	47	0.0	-37.79	372.64	6.53	-31.26
CN1N=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1Br	REAL300012028022	1	37	0.0	-32.69	317.23	8.11	-24.58
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012028023	0	52	0.0	-38.52	412.65	12.83	-25.69
COC1=C(Br)C=CC(F)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028024	1	41	0.0	-32.78	349.04	9.95	-22.83
COCC1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028025	0	44	0.0	-31.58	341.53	9.80	-21.78
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012028026	0	50	0.0	-32.23	403.22	14.82	-17.41
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012028027	0	41	0.0	-36.64	351.22	11.38	-25.26
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012028028	0	50	0.0	-40.09	387.77	10.57	-29.52
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012028029	0	45	0.0	-32.38	348.60	10.10	-22.28
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(CCO)N=C1	REAL300012028030	0	41	0.0	-37.12	330.35	5.21	-31.91
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012028031	0	43	0.0	-41.61	355.21	12.00	-29.61
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012028032	0	43	0.0	-42.59	349.27	8.07	-34.52
COC1=CC=C(F)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1OC	REAL300012028033	1	45	0.0	-33.47	357.49	9.30	-24.17
CN1C=CC(C2=NNC=C2C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=N1	REAL300012028034	0	44	0.0	-29.16	354.92	7.93	-21.23
CC1=CC=C(F)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1Br	REAL300012028035	1	40	0.0	-32.05	335.18	10.97	-21.08
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012028036	0	60	0.0	-30.49	446.44	14.16	-16.33
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012028037	0	51	0.0	-34.67	394.36	12.28	-22.39
CC(F)(F)C1=CC=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028038	0	43	0.0	-25.60	334.72	11.56	-14.04
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OCCO	REAL300012028039	0	49	0.0	-37.94	387.10	6.99	-30.95
CCN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300012028040	0	47	0.0	-34.47	371.02	10.74	-23.73
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1OCCO	REAL300012028041	0	49	0.0	-39.50	386.88	7.04	-32.46
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012028042	0	47	0.0	-41.50	375.79	8.89	-32.61
CC(C)(C)C1=NOC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028043	0	45	0.0	-33.61	339.87	9.62	-23.99
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012028044	0	42	0.0	-41.23	335.52	10.37	-30.86
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012028045	0	56	0.0	-37.86	432.81	10.58	-27.28
CC1=CC2=CC=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=C2O1	REAL300012028046	0	43	0.0	-31.64	344.38	11.10	-20.54
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012028047	0	40	0.0	-26.59	328.10	10.91	-15.68
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012028048	0	44	0.0	-30.24	370.13	10.72	-19.52
COC1=CSC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1OC	REAL300012028049	0	42	0.0	-31.73	347.24	7.94	-23.79
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CON=C1C1CCC1	REAL300012028050	0	43	0.0	-36.38	339.00	9.97	-26.41
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012028051	1	40	0.0	-27.93	330.76	8.86	-19.07
CS(=O)(=O)C1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])SC=C1	REAL300012028052	1	40	0.0	-34.79	328.54	6.64	-28.15
CS(=O)(=O)C1=COC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012028053	0	40	0.0	-39.34	338.67	5.60	-33.74
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012028054	0	40	0.0	-34.33	339.13	11.04	-23.29
CC(C)OC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1F	REAL300012028055	0	47	0.0	-35.62	370.63	10.88	-24.74
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012028057	0	37	0.0	-47.12	320.92	10.47	-36.65
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012028058	0	40	0.0	-35.62	326.73	10.76	-24.86
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012028059	0	43	0.0	-30.19	345.00	12.14	-18.05
CS(=O)(=O)C1=CSC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012028060	0	40	0.0	-44.45	346.80	6.51	-37.94
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CSC(Cl)=C1	REAL300012028061	0	34	0.0	-32.66	301.91	9.58	-23.08
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=NN1C1CCC1	REAL300012028062	0	47	0.0	-41.39	362.21	10.38	-31.01
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012028063	0	44	0.0	-36.06	370.42	11.75	-24.31
CC1=NN(C2CCCC2)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012028064	0	50	0.0	-39.50	378.48	11.06	-28.44
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NN1CC(F)F	REAL300012028065	0	40	0.0	-40.72	322.82	8.79	-31.93
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028066	0	47	0.0	-41.37	373.92	10.57	-30.80
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012028067	0	40	0.0	-26.31	336.26	11.34	-14.97
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012028068	1	37	0.0	-31.50	327.78	10.77	-20.73
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012028069	1	36	0.0	-30.35	309.77	8.63	-21.72
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012028070	0	44	0.0	-36.43	360.08	11.29	-25.14
CN(C)C1=CN=CC(F)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028071	0	44	0.0	-28.05	348.73	8.11	-19.94
COC1=NC(C)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=C1Cl	REAL300012028072	0	46	0.0	-35.73	369.17	8.23	-27.50
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028073	1	46	0.0	-35.45	370.09	10.29	-25.16
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012028074	1	44	0.0	-42.50	342.89	9.59	-32.91
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012028075	1	40	0.0	-47.58	330.93	8.80	-38.78
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012028076	1	41	0.0	-41.49	338.21	9.25	-32.24
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028077	0	53	0.0	-34.53	398.95	11.52	-23.01
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012028078	0	48	0.0	-36.36	369.96	8.54	-27.82
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028079	0	51	0.0	-36.15	389.76	9.13	-27.02
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012028080	0	42	0.0	-30.18	356.24	11.09	-19.09
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012028081	1	47	0.0	-42.29	360.81	10.22	-32.07
NS(=O)(=O)C1=CSC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012028082	0	39	0.0	-42.45	340.40	3.91	-38.54
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012028083	1	36	0.0	-34.10	321.13	9.03	-25.07
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012028084	0	52	0.0	-41.18	400.81	9.42	-31.76
CC1=NN(C2CCCC2)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028085	0	50	0.0	-34.72	379.89	10.91	-23.81
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1C(F)F	REAL300012028086	0	40	0.0	-26.91	319.11	10.94	-15.97
CC1=CC(Br)=C(F)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012028087	0	40	0.0	-43.79	341.88	11.27	-32.52
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012028088	0	37	0.0	-45.80	334.45	10.99	-34.81
COC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1Br	REAL300012028089	0	41	0.0	-27.78	339.43	9.78	-18.00
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012028090	0	40	0.0	-37.92	321.37	8.66	-29.26
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012028091	0	37	0.0	-48.21	321.35	10.48	-37.73
CN1C=C(C2=CC=CC(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])=C2)C=N1	REAL300012028092	0	47	0.0	-39.99	374.96	11.22	-28.77
COC1=CC(F)=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1Br	REAL300012028093	0	41	0.0	-38.68	348.81	9.87	-28.81
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012028094	0	47	0.0	-47.95	381.18	12.31	-35.64
CC1=CC=C(Br)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028095	0	40	0.0	-31.30	331.35	11.24	-20.06
COC1=C(C#N)C=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028096	0	42	0.0	-32.32	344.79	9.68	-22.64
COC1=NC2=CC=C(C[NH2+][C@H]3C4=CC=CC=C4C[C@H]3C(=O)[O-])C=C2S1	REAL300012028097	0	43	0.0	-40.60	357.18	7.63	-32.97
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=NC(Br)=C1	REAL300012028098	0	36	0.0	-36.80	311.46	8.68	-28.12
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012028099	0	37	0.0	-36.82	321.49	10.75	-26.07
CC1=NC(Cl)=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028100	0	39	0.0	-37.07	321.85	9.05	-28.02
CC(C)(C)COC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012028101	0	53	0.0	-34.59	406.61	12.26	-22.33
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012028102	0	37	0.0	-41.15	337.41	11.12	-30.03
COC1=CC(Cl)=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012028103	0	41	0.0	-38.42	340.79	9.71	-28.71
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012028104	0	40	0.0	-29.02	346.01	11.24	-17.78
COC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CC(F)=C1F	REAL300012028105	0	41	0.0	-39.58	336.56	9.33	-30.25
COC1=CC(C)=NC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028106	0	43	0.0	-34.18	339.75	8.09	-26.09
CN1N=CC=C1C1=NNC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028107	0	44	0.0	-37.75	345.11	7.28	-30.47
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2CC2)=NO1	REAL300012028108	0	43	0.0	-33.53	342.34	10.29	-23.24
COC(=O)C1=C(C)NC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1C	REAL300012028109	0	47	0.0	-38.50	378.57	9.69	-28.81
CC(C)OC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])O1	REAL300012028110	0	44	0.0	-32.96	351.04	10.18	-22.78
CC1=CC(Br)=CC(C)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028111	0	43	0.0	-31.34	349.70	11.69	-19.65
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012028112	0	38	0.0	-37.52	320.14	7.45	-30.07
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012028113	1	40	0.0	-29.52	328.69	8.80	-20.72
N#CC1=CC(F)=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012028114	0	38	0.0	-43.91	321.81	10.35	-33.56
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012028115	0	53	0.0	-29.66	397.03	13.77	-15.89
COC1=CC=CC=C1C=CC[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028116	0	45	0.0	-35.50	354.18	10.54	-24.96
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])SC(Br)=C1	REAL300012028117	0	37	0.0	-37.81	325.03	10.31	-27.50
CC1=NN(C2CCC2)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028118	0	47	0.0	-33.45	362.88	10.34	-23.11
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=NN1CC(F)F	REAL300012028119	0	43	0.0	-40.00	347.79	9.18	-30.82
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012028120	0	45	0.0	-41.59	363.77	10.25	-31.34
CCCN1N=C(C)C(Cl)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028121	1	46	0.0	-37.50	375.20	10.08	-27.42
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028122	0	49	0.0	-37.27	393.34	12.10	-25.17
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028123	0	44	0.0	-38.56	358.48	9.22	-29.34
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012028124	0	50	0.0	-31.05	398.01	14.42	-16.63
CCCCC(=O)NC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012028125	0	53	0.0	-38.81	412.72	11.07	-27.74
COC1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=N1	REAL300012028126	0	43	0.0	-37.77	337.20	7.12	-30.65
CCN(C)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C)=C1	REAL300012028127	0	51	0.0	-35.11	382.40	11.86	-23.25
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012028128	1	36	0.0	-32.56	322.41	9.14	-23.42
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012028129	0	34	0.0	-29.15	316.60	9.97	-19.18
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028130	0	58	0.0	-33.55	425.02	12.02	-21.53
COC1=CC(C)=CC(OC)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028131	0	48	0.0	-27.17	372.90	9.34	-17.83
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012028132	0	41	0.0	-35.57	356.88	10.35	-25.22
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012028133	0	47	0.0	-41.42	383.12	12.72	-28.70
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012028134	0	40	0.0	-38.47	331.43	11.26	-27.21
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012028135	0	46	0.0	-40.74	363.95	11.56	-29.18
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012028136	0	59	0.0	-35.97	453.69	14.83	-21.14
CC1=NSC(C)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028137	0	39	0.0	-33.31	311.99	8.63	-24.68
CC(C)(C)C1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=NO1	REAL300012028138	0	45	0.0	-32.99	336.00	9.96	-23.03
CC1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1C(F)(F)F	REAL300012028139	0	43	0.0	-25.60	336.97	11.39	-14.21
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012028140	0	40	0.0	-38.12	320.76	8.61	-29.51
CCC(C)C1=CC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=C1	REAL300012028141	0	49	0.0	-36.28	373.21	12.49	-23.79
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012028142	0	39	0.0	-43.37	338.64	9.21	-34.16
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012028143	0	42	0.0	-33.18	359.56	10.27	-22.91
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012028144	0	44	0.0	-37.86	351.31	8.65	-29.21
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028145	1	50	0.0	-48.00	395.35	12.48	-35.52
CC(F)(F)C1=CC=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=N1	REAL300012028146	0	42	0.0	-35.54	344.32	9.97	-25.57
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012028147	0	37	0.0	-42.91	327.52	10.68	-32.23
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012028148	0	37	0.0	-39.34	335.04	10.98	-28.36
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012028149	0	47	0.0	-34.96	349.92	12.25	-22.71
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012028150	0	39	0.0	-39.54	344.06	11.18	-28.36
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028151	0	44	0.0	-39.21	354.37	11.81	-27.40
COC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=CC(Br)=C1F	REAL300012028152	0	41	0.0	-30.82	350.80	9.96	-20.86
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012028153	0	40	0.0	-29.32	337.96	10.92	-18.40
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012028154	0	43	0.0	-41.81	346.94	9.81	-32.00
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C=CC2=CC=CC=C21	REAL300012028155	0	46	0.0	-36.85	351.53	12.64	-24.21
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028156	0	55	0.0	-33.21	420.39	11.67	-21.54
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012028157	0	43	0.0	-34.54	359.71	12.72	-21.82
COC1=C2C=CNC2=CC=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028158	0	45	0.0	-32.36	355.78	9.33	-23.03
CC1=NC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C(C)S1	REAL300012028159	1	39	0.0	-41.63	320.53	8.33	-33.30
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012028160	0	50	0.0	-40.54	384.50	7.12	-33.42
COC1=CC=C(OC)C(OC)=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028161	0	49	0.0	-30.91	378.55	8.71	-22.20
CCCN1N=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1C	REAL300012028162	0	46	0.0	-42.42	357.96	9.82	-32.60
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012028163	0	54	0.0	-25.57	403.87	12.08	-13.49
O=C([O-])[C@@H]1CC2=CC=CC=C2[C@@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012028164	0	51	0.0	-33.10	408.19	13.40	-19.70
CC1=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012028165	0	45	0.0	-26.83	347.26	10.84	-15.99
CC1=CC(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012028166	0	46	0.0	-43.44	366.68	11.23	-32.21
COC(=O)C1=CN(C)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1	REAL300012028167	0	44	0.0	-33.01	352.45	9.92	-23.09
COC1=CC=C(Br)C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])=C1O	REAL300012028168	0	42	0.0	-30.95	350.29	7.64	-23.31
CCCN1N=C(C)C=C1C[NH2+][C@H]1C2=CC=CC=C2C[C@H]1C(=O)[O-]	REAL300012028169	0	46	0.0	-31.58	346.58	9.49	-22.09
CN1C=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300012028170	0	47	0.0	-34.64	366.18	10.43	-24.21
CC(C)(C)C1=NC=C(C[NH2+][C@H]2C3=CC=CC=C3C[C@H]2C(=O)[O-])O1	REAL300012028171	0	45	0.0	-34.26	354.40	7.51	-26.75
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=C1	REAL300012028172	0	45	0.0	-65.94	358.40	12.22	-53.72
CC1=CC=C(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028173	0	45	0.0	-65.80	358.40	12.22	-53.58
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=CC=CN=C4C=C3)C=CC=C2C=C1	REAL300012028174	0	44	0.0	-77.27	363.27	11.30	-65.97
O=C([O-])C1=CC2=C(C[NH2+]CC3CC4C=CC3C4)C=CC=C2C=C1	REAL300012028175	0	44	0.0	-67.63	338.91	11.43	-56.20
CC(C)(C)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028176	0	51	0.0	-66.71	398.35	13.26	-53.45
O=C([O-])C1=CC2=C(C[NH2+]CC3=CNN=C3C3=CC=CC=C3)C=CC=C2C=C1	REAL300012028177	0	46	0.0	-65.31	378.62	10.79	-54.52
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(Br)O3)C=CC=C2C=C1	REAL300012028178	0	36	0.0	-73.56	324.60	9.80	-63.76
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028179	0	49	0.0	-71.22	401.39	12.68	-58.54
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1OC(F)F	REAL300012028180	0	47	0.0	-72.48	390.65	10.41	-62.07
CCOC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1OC	REAL300012028181	0	50	0.0	-72.78	402.75	11.05	-61.73
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC=C3OCC3=CC=CC=C3)C=CC=C2C=C1	REAL300012028182	0	53	0.0	-59.09	432.01	14.29	-44.80
CCCCCOC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028183	0	55	0.0	-68.46	438.01	13.52	-54.94
CC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1C	REAL300012028184	0	45	0.0	-66.12	353.99	12.09	-54.03
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1C	REAL300012028185	0	45	0.0	-66.69	360.57	12.14	-54.55
CC(C)OC1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028186	0	49	0.0	-59.64	390.02	11.86	-47.78
CCCCOC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1OC	REAL300012028187	0	56	0.0	-73.10	445.75	12.63	-60.47
CCCOC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1OC	REAL300012028188	0	53	0.0	-72.95	424.25	11.85	-61.10
C=CCOC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1OC	REAL300012028189	0	51	0.0	-73.50	415.65	11.63	-61.87
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)O3)C=CC=C2C=C1	REAL300012028190	0	46	0.0	-73.45	399.13	13.33	-60.12
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=CC=CC=C4Cl)O3)C=CC=C2C=C1	REAL300012028191	0	46	0.0	-73.46	399.28	13.38	-60.08
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(CC4=CC=CC=C4)N=C3)C=CC=C2C=C1	REAL300012028192	0	49	0.0	-67.12	406.39	12.60	-54.52
CCC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C2=CC=CC=C2O1	REAL300012028193	0	48	0.0	-66.96	387.26	12.89	-54.07
O=C([O-])C1=CC2=C(C[NH2+]CC3=CSC(C4=CC=C(F)C=C4)=N3)C=CC=C2C=C1	REAL300012028194	0	45	0.0	-73.29	393.41	11.78	-61.51
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC=C3OC(F)(F)F)C=CC=C2C=C1	REAL300012028195	0	43	0.0	-60.44	366.79	10.79	-49.65
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(SC(F)(F)F)C=C3)C=CC=C2C=C1	REAL300012028196	0	43	0.0	-73.56	378.55	12.40	-61.16
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C([N+](=O)[O-])C=C1O	REAL300012028197	0	46	0.0	-61.68	382.16	8.65	-53.03
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(Cl)=C1	REAL300012028198	0	43	0.0	-60.59	364.34	10.66	-49.93
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(OC(F)(F)F)C=C3)C=CC=C2C=C1	REAL300012028199	0	43	0.0	-72.89	368.15	10.73	-62.16
N#CC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028200	0	40	0.0	-71.90	343.01	11.32	-60.58
O=C([O-])C1=CC2=C(C[NH2+]CC3=CNN=C3C3=CC=C(F)C=C3)C=CC=C2C=C1	REAL300012028201	0	46	0.0	-76.99	383.41	11.04	-65.95
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028202	0	49	0.0	-65.18	400.02	11.47	-53.71
O=C([O-])C1=CC2=C(C[NH2+]CC3=CNN=C3C3=CC=CS3)C=CC=C2C=C1	REAL300012028203	0	43	0.0	-62.03	365.88	10.06	-51.97
COC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028204	0	50	0.0	-77.46	406.50	10.27	-67.19
O=C([O-])C1=CC2=C(C[NH2+]CC3=CSC4=CC=CC=C34)C=CC=C2C=C1	REAL300012028205	0	42	0.0	-69.72	359.04	12.31	-57.41
CCOC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=NN1CC(C)C	REAL300012028206	0	58	0.0	-62.98	448.03	11.02	-51.96
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=CC=CC=C4OC3)C=CC=C2C=C1	REAL300012028207	0	45	0.0	-72.14	368.21	11.42	-60.72
CC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)O2)C=C1	REAL300012028208	0	49	0.0	-73.11	403.80	13.51	-59.60
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)O1	REAL300012028209	0	46	0.0	-63.51	383.23	10.04	-53.47
O=C([O-])C1=CC2=C(C[NH2+]CC3=CNN=C3C3=CC=CN=C3)C=CC=C2C=C1	REAL300012028210	0	45	0.0	-68.85	373.08	9.05	-59.80
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(OCC4CCCO4)C=C3)C=CC=C2C=C1	REAL300012028211	0	54	0.0	-70.56	430.47	11.54	-59.02
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(Cl)S3)C=CC=C2C=C1	REAL300012028212	0	36	0.0	-71.64	329.41	10.66	-60.98
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=CC=C(F)C=C4)S3)C=CC=C2C=C1	REAL300012028213	0	46	0.0	-72.26	396.40	13.78	-58.48
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC4=CC=CN=C43)C=CC=C2C=C1	REAL300012028214	0	44	0.0	-58.94	361.94	11.47	-47.47
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC=C3OCC3=CC=CC=N3)C=CC=C2C=C1	REAL300012028215	0	52	0.0	-65.96	424.82	12.57	-53.39
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028216	0	48	0.0	-74.67	393.05	9.94	-64.73
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(N4C=CC=N4)C=C3)C=CC=C2C=C1	REAL300012028217	0	46	0.0	-72.33	380.51	12.14	-60.19
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(N4C=NC=N4)C=C3)C=CC=C2C=C1	REAL300012028218	0	45	0.0	-74.30	375.44	13.46	-60.84
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=CC=CC=C4F)S3)C=CC=C2C=C1	REAL300012028219	0	46	0.0	-70.29	399.36	13.89	-56.40
CCC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)O1	REAL300012028220	0	42	0.0	-69.20	346.30	10.68	-58.52
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(F)=CC=C3F)C=CC=C2C=C1	REAL300012028221	0	39	0.0	-64.97	334.12	11.03	-53.94
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(C(F)(F)F)=CC=C3Cl)C=CC=C2C=C1	REAL300012028222	0	42	0.0	-67.65	373.05	12.42	-55.23
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(F)C=C3Cl)C=CC=C2C=C1	REAL300012028223	0	39	0.0	-62.41	341.25	11.44	-50.97
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(F)C(Cl)=C3)C=CC=C2C=C1	REAL300012028224	0	39	0.0	-71.99	344.74	11.49	-60.50
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(F)C(C(F)(F)F)=C3)C=CC=C2C=C1	REAL300012028225	0	42	0.0	-73.59	366.47	11.98	-61.61
CCOC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028226	0	46	0.0	-66.21	373.51	11.16	-55.05
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1F	REAL300012028227	0	42	0.0	-73.80	348.87	11.64	-62.16
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(Cl)=CC=C3Cl)C=CC=C2C=C1	REAL300012028228	0	39	0.0	-62.47	351.57	11.89	-50.58
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(F)C=C3C(F)(F)F)C=CC=C2C=C1	REAL300012028229	0	42	0.0	-70.15	357.10	12.08	-58.07
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(F)=C(F)C(F)=C3)C=CC=C2C=C1	REAL300012028230	0	39	0.0	-80.10	341.15	11.12	-68.98
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(F)=CC(C(F)(F)F)=C3)C=CC=C2C=C1	REAL300012028231	0	42	0.0	-74.13	367.29	11.99	-62.14
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(C(F)(F)F)=CC=C3F)C=CC=C2C=C1	REAL300012028232	0	42	0.0	-70.59	365.72	12.00	-58.59
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(Cl)=C1OC	REAL300012028233	0	47	0.0	-62.58	396.75	10.72	-51.86
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=CC=CC=C4S3)C=CC=C2C=C1	REAL300012028234	0	42	0.0	-72.02	359.53	12.48	-59.54
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(Cl)C(F)=C3)C=CC=C2C=C1	REAL300012028235	0	39	0.0	-72.03	344.74	11.50	-60.53
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(Cl)=CC=C3OC(F)F)C=CC=C2C=C1	REAL300012028236	0	43	0.0	-68.90	376.77	11.08	-57.82
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CN=C3Cl)C=CC=C2C=C1	REAL300012028237	0	38	0.0	-74.98	329.09	9.56	-65.42
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(OCC4=CC=NC=C4)C=C3)C=CC=C2C=C1	REAL300012028238	0	52	0.0	-71.39	428.30	12.45	-58.94
CC(C)C1=NN(C)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028239	0	48	0.0	-68.15	387.37	10.57	-57.58
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028240	0	48	0.0	-68.14	402.25	10.88	-57.26
COCCOC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028241	0	50	0.0	-67.50	407.13	10.42	-57.08
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1Cl	REAL300012028242	0	43	0.0	-75.75	367.69	10.78	-64.97
O=C([O-])C1=CC2=C(C[NH2+]CC3=CSC(C4=CC=CC=N4)=N3)C=CC=C2C=C1	REAL300012028243	1	44	0.0	-78.67	382.41	9.86	-68.81
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028244	0	51	0.0	-79.33	403.54	12.50	-66.83
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(OCC(F)(F)F)=C3)C=CC=C2C=C1	REAL300012028245	0	46	0.0	-67.80	393.08	11.62	-56.18
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC4=C3OCCO4)C=CC=C2C=C1	REAL300012028246	0	45	0.0	-63.43	365.07	10.15	-53.28
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC4=C3OCCCO4)C=CC=C2C=C1	REAL300012028247	0	48	0.0	-63.40	383.75	10.91	-52.49
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028248	0	51	0.0	-79.43	412.72	12.96	-66.47
CCCOC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028249	0	49	0.0	-66.13	395.01	11.95	-54.18
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(C4=CC=CC=C4)=CS3)C=CC=C2C=C1	REAL300012028250	0	46	0.0	-70.29	388.19	13.51	-56.78
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(OC4CCCC4)=C3)C=CC=C2C=C1	REAL300012028251	0	53	0.0	-65.82	416.24	13.13	-52.69
CC(C)OC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028252	0	49	0.0	-69.43	391.43	11.77	-57.66
CC1=CC=C(C2=NC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CS2)C=C1	REAL300012028253	0	48	0.0	-72.57	408.41	12.40	-60.17
CC(C)C1=NC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CS1	REAL300012028254	1	44	0.0	-69.95	369.92	9.97	-59.98
CC(C)(C)C1=NC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CS1	REAL300012028255	1	47	0.0	-69.53	388.86	10.48	-59.05
O=C([O-])C1=CC2=C(C[NH2+]CC3=CSC(C4=CSC=C4)=N3)C=CC=C2C=C1	REAL300012028256	0	42	0.0	-72.15	378.04	10.65	-61.50
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=CC=CC(F)=C4)S3)C=CC=C2C=C1	REAL300012028257	0	46	0.0	-74.91	396.40	13.78	-61.13
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028258	0	53	0.0	-59.49	429.22	11.82	-47.67
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC=C3OC3CCCC3)C=CC=C2C=C1	REAL300012028259	0	53	0.0	-59.87	415.85	13.21	-46.66
CC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)S2)C=C1	REAL300012028260	0	49	0.0	-71.17	411.39	14.39	-56.78
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028261	0	43	0.0	-65.82	384.41	11.37	-54.45
CCOC1=C(OC)C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1OC	REAL300012028262	0	54	0.0	-75.74	435.91	10.99	-64.75
COCCCOC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028263	0	53	0.0	-67.31	428.68	11.03	-56.28
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CN=C1Cl	REAL300012028264	0	41	0.0	-72.42	352.66	10.16	-62.26
COC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028265	0	47	0.0	-68.36	389.52	9.85	-58.51
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(Cl)C=CC=C3OC(F)F)C=CC=C2C=C1	REAL300012028266	0	43	0.0	-58.47	374.11	10.98	-47.49
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1OC1=CC=CN=C1	REAL300012028267	0	52	0.0	-73.40	427.45	12.81	-60.59
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)S2)C=C1	REAL300012028268	0	48	0.0	-70.43	408.58	12.62	-57.81
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)C=CC=C2C=C1	REAL300012028269	0	44	0.0	-62.40	378.62	11.98	-50.42
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)C=CC=C2C=C1	REAL300012028270	0	44	0.0	-62.64	367.52	11.51	-51.13
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)C=CC=C2C=C1	REAL300012028271	0	44	0.0	-63.55	368.31	11.54	-52.01
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(Cl)C4=CC=CN=C34)C=CC=C2C=C1	REAL300012028272	0	44	0.0	-61.89	376.38	11.90	-49.99
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=C(F)C=CC=C4F)O3)C=CC=C2C=C1	REAL300012028273	0	46	0.0	-74.30	396.89	12.98	-61.32
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)O1	REAL300012028274	0	49	0.0	-73.64	409.35	13.57	-60.07
CCC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)O2)C=C1	REAL300012028275	0	52	0.0	-72.97	425.28	14.25	-58.72
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(OC(F)F)=C1	REAL300012028276	0	47	0.0	-67.78	389.52	9.87	-57.91
COC1=CC=C2OC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CC2=C1	REAL300012028277	0	46	0.0	-74.70	379.50	10.74	-63.96
O=C([O-])C1=CC2=C(C[NH2+]CC=CC3=CC=C(Cl)C=C3)C=CC=C2C=C1	REAL300012028278	0	43	0.0	-69.00	369.91	12.75	-56.25
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C2=CC=CC=C2O1	REAL300012028279	0	45	0.0	-71.62	370.43	12.07	-59.55
O=C([O-])C1=CC2=C(C[NH2+]CC3=COC4=CC=CC=C34)C=CC=C2C=C1	REAL300012028280	0	42	0.0	-69.30	350.07	11.31	-57.99
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(OC4=CC=CC=C4)O3)C=CC=C2C=C1	REAL300012028281	0	47	0.0	-73.56	388.91	12.69	-60.87
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1Br	REAL300012028282	0	42	0.0	-72.06	361.64	12.12	-59.94
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)N=C1	REAL300012028283	0	41	0.0	-70.85	338.57	9.76	-61.09
O=C([O-])C1=CC2=C(C[NH2+]CC=CC3=CC=C(F)C=C3F)C=CC=C2C=C1	REAL300012028284	0	43	0.0	-67.76	365.11	12.33	-55.43
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1Br	REAL300012028285	0	42	0.0	-70.69	361.65	12.12	-58.57
O=C([O-])C1=CC2=C(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)C=CC=C2C=C1	REAL300012028286	0	46	0.0	-74.54	381.05	12.05	-62.49
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(Cl)SC=C3)C=CC=C2C=C1	REAL300012028287	0	36	0.0	-67.71	326.31	10.49	-57.22
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(Cl)=CC4=C3OCC4)C=CC=C2C=C1	REAL300012028288	0	44	0.0	-63.97	374.64	11.29	-52.68
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)C=CC=C2C=C1	REAL300012028289	0	43	0.0	-77.78	360.54	10.95	-66.83
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)C=CC=C2C=C1	REAL300012028290	0	43	0.0	-74.33	360.44	10.94	-63.39
CCOC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300012028291	0	45	0.0	-72.65	371.18	8.53	-64.12
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC2=CC=CN=C12	REAL300012028292	0	47	0.0	-76.14	383.40	12.12	-64.02
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1Cl	REAL300012028293	0	42	0.0	-70.56	357.62	12.03	-58.53
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C4C=CSC4=C3)C=CC=C2C=C1	REAL300012028294	0	41	0.0	-73.59	354.02	10.41	-63.18
CCCC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028295	0	48	0.0	-66.76	386.54	13.14	-53.62
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1F	REAL300012028296	0	53	0.0	-69.29	422.62	12.10	-57.19
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C(SC)C=C1OC	REAL300012028297	0	51	0.0	-64.41	416.51	11.07	-53.34
COC1=CC=C2N=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)SC2=C1	REAL300012028298	0	45	0.0	-69.42	383.80	9.74	-59.68
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028299	0	45	0.0	-67.20	385.29	11.79	-55.41
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1C#N	REAL300012028300	0	44	0.0	-85.28	371.86	10.65	-74.63
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(SC(F)F)C=C3)C=CC=C2C=C1	REAL300012028301	0	43	0.0	-72.80	371.97	12.19	-60.61
CC1=CC(Cl)=CC(C)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028302	0	45	0.0	-68.73	372.05	12.50	-56.23
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(OC(F)F)C(F)=C3)C=CC=C2C=C1	REAL300012028303	0	43	0.0	-74.45	367.63	10.57	-63.88
CCOC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)N=C1	REAL300012028304	0	45	0.0	-72.29	368.56	9.31	-62.98
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028305	0	45	0.0	-71.58	375.73	12.55	-59.03
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC(Cl)=C1OC	REAL300012028306	0	47	0.0	-77.89	400.87	10.77	-67.12
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1OCC(C)C	REAL300012028307	0	56	0.0	-72.20	444.35	12.53	-59.67
CCCOC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1OC	REAL300012028308	0	53	0.0	-72.61	424.25	11.85	-60.76
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(Br)S3)C=CC=C2C=C1	REAL300012028309	0	36	0.0	-71.77	334.05	10.76	-61.01
CCOC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC(Cl)=C1OC	REAL300012028310	0	50	0.0	-77.91	422.72	11.69	-66.22
C=CCOC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028311	0	47	0.0	-66.27	386.41	11.75	-54.52
COC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1OC(C)C	REAL300012028312	0	53	0.0	-61.69	413.90	12.17	-49.52
CCOC1=C(Cl)C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1OC	REAL300012028313	0	50	0.0	-77.82	422.72	11.72	-66.10
CCCOC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=CC=C1OCC	REAL300012028314	0	56	0.0	-62.09	446.99	12.95	-49.14
CCCCOC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1OC	REAL300012028315	0	56	0.0	-72.55	445.75	12.63	-59.92
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1OC(F)F	REAL300012028316	0	47	0.0	-75.62	390.66	10.42	-65.20
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC(C)=C1OC(F)F	REAL300012028317	0	49	0.0	-71.45	399.46	11.92	-59.53
CCOC1=CC2=C(C=C1C[NH2+]CC1=CC=CC3=CC=C(C(=O)[O-])C=C31)OC(C)C2	REAL300012028318	0	54	0.0	-64.43	429.03	11.82	-52.61
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC2=C1OCCO2	REAL300012028319	0	49	0.0	-76.69	395.85	9.96	-66.73
CCCCN1N=C(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1Cl	REAL300012028320	0	51	0.0	-63.92	425.11	11.97	-51.95
CC1=CC(C)=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1C	REAL300012028321	0	48	0.0	-65.63	375.37	12.77	-52.86
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=CC=CC=C4)S3)C=CC=C2C=C1	REAL300012028322	0	46	0.0	-71.20	390.00	13.71	-57.49
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=CC=CC(F)=C4F)O3)C=CC=C2C=C1	REAL300012028323	0	46	0.0	-78.57	397.11	12.99	-65.58
CC(C)(C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21)C1=CC=CC=C1	REAL300012028324	0	48	0.0	-66.18	370.23	12.65	-53.53
CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C2CCCCC2)=N1	REAL300012028325	0	55	0.0	-69.21	428.99	12.47	-56.74
CC1CCC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300012028326	0	48	0.0	-65.97	356.97	11.66	-54.31
CC(CCC1=CC=CC=C1)C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028327	0	51	0.0	-66.87	401.18	13.81	-53.06
CCC1CCCC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C1	REAL300012028328	0	51	0.0	-64.65	382.23	12.53	-52.12
CC1(C)CCC2=C(C1)SC(C[NH2+]CC1=CC=CC3=CC=C(C(=O)[O-])C=C31)=N2	REAL300012028329	0	51	0.0	-62.96	406.38	11.59	-51.37
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CN1CCN(C2=CC=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)C=C2)CC1	REAL300012028399	1	56	0.0	-68.59	431.38	9.64	-58.95
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O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(OCC(F)(F)F)C=C3)C=CC=C2C=C1	REAL300012028404	0	46	0.0	-70.30	393.07	11.62	-58.68
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COC1=C2OC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CC2=CC=C1	REAL300012028406	0	46	0.0	-78.24	379.53	10.75	-67.49
CC(C)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1[N+](=O)[O-]	REAL300012028407	0	50	0.0	-87.07	407.19	13.43	-73.64
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O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(CSC(F)F)O3)C=CC=C2C=C1	REAL300012028417	0	43	0.0	-73.33	382.68	11.51	-61.82
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CCC(C)OC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1OC	REAL300012028425	0	56	0.0	-71.77	441.44	12.46	-59.31
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C=CCC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC(OC)=C1O	REAL300012028427	0	51	0.0	-72.66	417.02	10.08	-62.58
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(C4=CC=CC=C4)=NN3)C=CC=C2C=C1	REAL300012028428	0	46	0.0	-76.18	381.55	10.86	-65.32
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028429	0	48	0.0	-75.05	400.36	11.89	-63.16
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(C4=CC=CC=C4)N=N3)C=CC=C2C=C1	REAL300012028430	1	45	0.0	-82.06	375.05	10.76	-71.30
O=C([O-])C1=CC2=C(C[NH2+]CC3=NC(C4=CC=CC=C4)=CS3)C=CC=C2C=C1	REAL300012028431	0	45	0.0	-65.03	385.30	11.70	-53.33
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(N4CCOCC4)C(F)=C3)C=CC=C2C=C1	REAL300012028432	0	52	0.0	-71.59	416.20	10.06	-61.53
CN1C=NC2=CC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CC=C21	REAL300012028433	0	45	0.0	-69.38	370.54	12.27	-57.11
CCN1N=C(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1C	REAL300012028434	0	48	0.0	-72.13	384.83	10.54	-61.59
C=CCOC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1Cl	REAL300012028435	0	47	0.0	-69.28	402.44	12.29	-56.99
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C(C4=CC=CC=C4)S3)C=CC=C2C=C1	REAL300012028436	0	45	0.0	-70.60	387.18	11.96	-58.64
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C2OC(C)CC2=C1	REAL300012028437	0	51	0.0	-61.44	408.58	10.82	-50.62
CC1(C)CC2=CC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CC=C2O1	REAL300012028438	0	50	0.0	-69.70	399.57	12.18	-57.52
O=C([O-])C1=CC2=C(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)C=CC=C2C=C1	REAL300012028439	1	45	0.0	-75.12	378.81	9.37	-65.75
O=C([O-])C1=CC2=C(C[NH2+]CC3=CSC(C4=CC=CS4)=N3)C=CC=C2C=C1	REAL300012028440	1	42	0.0	-73.64	378.63	10.75	-62.89
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028441	0	49	0.0	-65.04	399.89	11.46	-53.58
CC1=CC=C(F)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028442	0	42	0.0	-70.47	348.08	11.65	-58.82
CC1=CC=C(F)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028443	0	42	0.0	-71.78	343.39	11.63	-60.15
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(Cl)=CC(C(F)(F)F)=C3)C=CC=C2C=C1	REAL300012028444	0	42	0.0	-73.06	377.62	12.43	-60.63
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(Br)=C1	REAL300012028445	0	42	0.0	-58.08	359.86	12.15	-45.93
CC1=NC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028446	0	41	0.0	-68.44	332.09	9.74	-58.70
CC(C)COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028447	0	52	0.0	-68.25	415.12	12.66	-55.59
COCCOC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028448	0	50	0.0	-70.18	407.14	10.43	-59.75
CC1(C)CCCC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C1	REAL300012028449	0	51	0.0	-64.90	377.14	12.15	-52.75
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(OC(F)F)C(Cl)=C3)C=CC=C2C=C1	REAL300012028450	0	43	0.0	-73.01	377.43	11.04	-61.97
CC1=CCCC(C)C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028451	0	49	0.0	-66.83	363.76	11.97	-54.86
COC1=CC2=C(C=C1C[NH2+]CC1=CC=CC3=CC=C(C(=O)[O-])C=C31)OCO2	REAL300012028452	0	46	0.0	-67.89	376.30	8.95	-58.94
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=CC4=CC=CC=C43)C=CC=C2C=C1	REAL300012028453	0	44	0.0	-72.14	358.58	11.30	-60.84
CC(C)COC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028454	0	52	0.0	-65.96	415.11	12.66	-53.30
CC1=CC(Cl)=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028455	0	42	0.0	-69.31	353.72	12.07	-57.24
O=C([O-])C1=CC2=C(C[NH2+]CC=CC3=CC=C(F)C=C3)C=CC=C2C=C1	REAL300012028456	0	43	0.0	-70.03	359.60	12.30	-57.73
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(Cl)N=C3)C=CC=C2C=C1	REAL300012028457	0	38	0.0	-77.65	333.86	9.57	-68.08
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=CC(Br)=C3)C=CC=C2C=C1	REAL300012028458	0	38	0.0	-72.88	338.31	9.75	-63.13
CN1N=NC2=CC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CC=C21	REAL300012028459	0	44	0.0	-73.61	366.14	9.37	-64.24
O=C([O-])C1=CC2=C(C[NH2+]CC3CCCCCC3)C=CC=C2C=C1	REAL300012028460	0	48	0.0	-66.18	354.26	11.73	-54.45
CC1(C)CC2=CC=CC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=C2O1	REAL300012028461	0	50	0.0	-59.61	399.45	12.15	-47.46
COC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300012028462	0	42	0.0	-72.91	349.32	7.60	-65.31
CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C2=CC=CC=C2)=N1	REAL300012028463	0	49	0.0	-75.24	400.05	12.27	-62.97
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)C=CC=C2C=C1	REAL300012028464	0	46	0.0	-78.35	380.56	12.13	-66.22
CC(C)N1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300012028465	0	45	0.0	-66.24	365.19	10.12	-56.12
CC1=C(Br)SC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028466	0	39	0.0	-72.11	353.65	11.37	-60.74
CC1=NC2=CC=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)C=C2C=C1	REAL300012028467	0	47	0.0	-77.53	384.86	11.91	-65.62
O=C([O-])C1=CC2=C(C[NH2+]CC3=NC=CC=C3C(F)(F)F)C=CC=C2C=C1	REAL300012028468	0	41	0.0	-64.90	344.45	9.97	-54.93
CC1=CC(C)=CC(C2=CC=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)C=C2)=C1	REAL300012028469	0	55	0.0	-70.33	439.18	15.67	-54.66
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1N1C=NC=N1	REAL300012028470	0	48	0.0	-79.10	396.46	14.47	-64.63
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)C=CC=C2C=C1	REAL300012028471	0	42	0.0	-75.02	356.44	11.53	-63.49
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(OCC(F)F)C=C3)C=CC=C2C=C1	REAL300012028472	0	46	0.0	-71.45	386.52	11.48	-59.97
COCC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028473	0	46	0.0	-67.90	377.21	10.65	-57.25
CCCCOC1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028474	0	52	0.0	-59.82	415.14	12.81	-47.01
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(SC4=CC=CC=C4)C=C3)C=CC=C2C=C1	REAL300012028475	0	50	0.0	-72.52	422.75	15.03	-57.49
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C(OC(F)F)C=C1C	REAL300012028476	0	49	0.0	-65.07	399.13	11.80	-53.27
COC1=CC(C)=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1OC	REAL300012028477	0	50	0.0	-72.17	395.65	10.76	-61.41
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028478	0	45	0.0	-82.87	386.21	11.81	-71.06
O=C([O-])C1=CC2=C(C[NH2+]CC3=CNN=C3C3=CSC=C3)C=CC=C2C=C1	REAL300012028479	0	43	0.0	-65.44	369.00	9.76	-55.68
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(CC4=CC=C(F)C=C4)N=C3)C=CC=C2C=C1	REAL300012028480	0	49	0.0	-77.25	412.81	12.67	-64.58
CC1CCC2=C(C1)SC(C[NH2+]CC1=CC=CC3=CC=C(C(=O)[O-])C=C31)=N2	REAL300012028481	0	48	0.0	-63.13	391.50	11.29	-51.84
CC(C)(C)C1CCC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300012028482	0	57	0.0	-64.09	404.94	13.03	-51.06
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028483	0	53	0.0	-62.88	424.43	13.72	-49.16
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028484	0	53	0.0	-63.60	424.40	13.71	-49.89
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C(C)O1	REAL300012028485	0	42	0.0	-68.23	343.98	10.55	-57.68
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028486	0	52	0.0	-66.61	419.61	11.96	-54.65
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(OCC4CC4)C=C3)C=CC=C2C=C1	REAL300012028487	0	50	0.0	-68.64	405.18	12.73	-55.91
COC1=CC(Cl)=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1Cl	REAL300012028488	0	43	0.0	-65.27	380.35	11.22	-54.05
CC(C)CC1=NC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028489	0	47	0.0	-67.81	388.55	10.90	-56.91
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C(C4=CC=CS4)S3)C=CC=C2C=C1	REAL300012028490	0	42	0.0	-71.52	379.05	11.02	-60.50
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C(C4=CSC=C4)S3)C=CC=C2C=C1	REAL300012028491	0	42	0.0	-70.26	378.32	10.89	-59.37
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)S2)O1	REAL300012028492	0	45	0.0	-74.03	391.87	10.86	-63.17
CC1=CC(Br)=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028493	0	42	0.0	-69.42	358.28	12.17	-57.25
O=C([O-])C1=CC2=C(C[NH2+]CC3=CNN=C3C3=CC=CC=C3F)C=CC=C2C=C1	REAL300012028494	0	46	0.0	-70.04	384.96	10.88	-59.16
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3F)C=CC=C2C=C1	REAL300012028495	0	48	0.0	-77.07	395.99	12.64	-64.43
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(Cl)OC4=CC=CC=C43)C=CC=C2C=C1	REAL300012028496	0	42	0.0	-70.64	366.27	11.89	-58.75
COCCOC1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028497	0	50	0.0	-60.31	405.77	10.49	-49.82
O=C([O-])C1=CC2=C(C[NH2+]CC3=NC4=C(CCC4)S3)C=CC=C2C=C1	REAL300012028498	0	42	0.0	-63.93	352.78	10.10	-53.83
CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C2=CC=CS2)=N1	REAL300012028499	0	46	0.0	-61.70	388.84	11.37	-50.33
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028500	0	43	0.0	-68.95	351.66	10.23	-58.72
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=CC=C(F)C=C4)O3)C=CC=C2C=C1	REAL300012028501	0	46	0.0	-73.98	388.81	12.88	-61.10
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028502	0	47	0.0	-67.67	389.00	10.71	-56.96
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C4OCCOC4=C3)C=CC=C2C=C1	REAL300012028503	0	45	0.0	-70.50	366.65	10.09	-60.41
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(Br)=C3)C=CC=C2C=C1	REAL300012028504	0	39	0.0	-66.84	343.44	11.55	-55.29
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(Cl)=C3)C=CC=C2C=C1	REAL300012028505	0	39	0.0	-66.92	338.88	11.44	-55.48
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(C4=CC=CC=C4)N=C3)C=CC=C2C=C1	REAL300012028506	0	46	0.0	-75.52	380.97	12.14	-63.38
CC(C)(C)N1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300012028507	0	48	0.0	-65.97	384.92	10.74	-55.23
CC1=CC(C)=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028508	0	45	0.0	-66.73	364.96	12.26	-54.47
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(CO)O3)C=CC=C2C=C1	REAL300012028509	0	40	0.0	-72.60	336.22	6.55	-66.05
CC(=O)NC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028510	0	46	0.0	-70.38	378.23	9.82	-60.56
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC=C3Cl)C=CC=C2C=C1	REAL300012028511	0	39	0.0	-67.83	333.98	11.41	-56.42
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC([N+](=O)[O-])=C3)C=CC=C2C=C1	REAL300012028512	0	41	0.0	-73.56	350.36	11.60	-61.96
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C([N+](=O)[O-])C=C3)C=CC=C2C=C1	REAL300012028513	0	41	0.0	-81.67	350.37	11.60	-70.07
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC4=CC=CC=C43)C=CC=C2C=C1	REAL300012028514	0	45	0.0	-67.52	363.13	13.08	-54.44
CN(C)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028515	0	47	0.0	-66.82	374.68	11.36	-55.46
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028516	0	53	0.0	-66.05	417.29	13.24	-52.81
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(Br)C=C3)C=CC=C2C=C1	REAL300012028517	0	39	0.0	-70.64	343.44	11.56	-59.08
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(Cl)C=C3)C=CC=C2C=C1	REAL300012028518	0	39	0.0	-70.55	338.87	11.45	-59.10
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC(OC)=C1OC	REAL300012028519	0	51	0.0	-75.82	414.05	10.05	-65.77
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(F)C=CC=C3Cl)C=CC=C2C=C1	REAL300012028520	0	39	0.0	-61.90	341.51	11.35	-50.55
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(F)C=C3)C=CC=C2C=C1	REAL300012028521	0	39	0.0	-71.68	328.55	11.00	-60.68
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC=C3OC(F)F)C=CC=C2C=C1	REAL300012028522	0	43	0.0	-65.30	360.04	10.58	-54.72
COC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1OC	REAL300012028523	0	47	0.0	-62.16	380.89	10.20	-51.96
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CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028553	0	42	0.0	-66.87	343.56	11.61	-55.26
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COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1C	REAL300012028583	0	46	0.0	-70.05	371.73	10.97	-59.08
CC(C)(C)C1=NNC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028584	0	48	0.0	-65.77	370.67	9.70	-56.07
COC1=CC=CC(OC)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028585	0	47	0.0	-58.63	378.47	9.65	-48.98
COC1=CC=C(F)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028586	0	43	0.0	-69.62	356.15	10.27	-59.35
CSC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028587	0	40	0.0	-69.18	355.66	11.26	-57.92
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028588	0	52	0.0	-57.48	411.39	14.76	-42.72
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COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1F	REAL300012028594	0	43	0.0	-74.69	357.88	10.29	-64.40
COC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028595	0	43	0.0	-64.29	367.02	10.81	-53.48
COC(=O)C1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CN1C	REAL300012028596	0	46	0.0	-67.41	381.58	11.12	-56.29
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1Cl	REAL300012028597	0	42	0.0	-72.02	357.61	12.04	-59.98
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1C	REAL300012028598	0	46	0.0	-68.88	371.73	10.98	-57.90
CC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1F	REAL300012028599	0	42	0.0	-60.11	348.03	11.60	-48.51
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CC1=NNC(C)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028601	0	42	0.0	-66.71	342.64	8.46	-58.25
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O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(F)=CC(Br)=C3)C=CC=C2C=C1	REAL300012028625	0	39	0.0	-72.76	349.85	11.62	-61.14
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=CC=NC=C4C=C3)C=CC=C2C=C1	REAL300012028626	0	44	0.0	-73.44	363.16	11.41	-62.03
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CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)SC=N1	REAL300012028628	0	38	0.0	-68.79	326.07	8.68	-60.11
COC1=CC(F)=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028629	0	43	0.0	-71.39	358.07	10.30	-61.09
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(Br)=C3F)C=CC=C2C=C1	REAL300012028630	0	39	0.0	-76.75	347.22	11.59	-65.16
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300012028631	0	49	0.0	-73.89	393.79	10.89	-63.00
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=CS1	REAL300012028632	0	39	0.0	-66.98	329.39	10.65	-56.33
CS(=O)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028633	0	44	0.0	-73.20	374.37	9.53	-63.67
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C4CCCCC4=C3)C=CC=C2C=C1	REAL300012028634	0	49	0.0	-67.14	384.84	13.42	-53.72
N#CC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300012028635	0	39	0.0	-85.60	338.09	9.41	-76.19
COC(=O)C1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CN1	REAL300012028636	0	43	0.0	-67.96	363.82	9.36	-58.60
COCC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)O1	REAL300012028637	0	43	0.0	-72.00	358.47	8.95	-63.05
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=C1OC	REAL300012028638	0	50	0.0	-69.92	398.31	10.91	-59.01
O=C([O-])C1=CC2=C(C[NH2+]CC3=CSC(Cl)=C3Cl)C=CC=C2C=C1	REAL300012028639	0	36	0.0	-61.30	343.13	10.94	-50.36
CC1=NC(F)=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028640	0	41	0.0	-73.82	338.49	9.68	-64.14
COC1=CC(C)=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028641	0	46	0.0	-60.34	371.75	10.95	-49.39
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CS1	REAL300012028642	0	39	0.0	-66.78	334.02	10.68	-56.10
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)N=N1	REAL300012028643	0	40	0.0	-79.80	333.66	8.64	-71.16
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C(C(F)(F)F)S3)C=CC=C2C=C1	REAL300012028644	0	38	0.0	-75.57	348.22	9.35	-66.22
CS(=O)(=O)C1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028645	0	45	0.0	-74.66	382.84	8.45	-66.21
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(Cl)=CS3)C=CC=C2C=C1	REAL300012028646	0	36	0.0	-68.06	329.25	10.55	-57.51
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4CCCC4)C=C3)C=CC=C2C=C1	REAL300012028647	0	52	0.0	-66.79	405.69	14.12	-52.67
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)N(C)N=C1	REAL300012028648	0	42	0.0	-72.67	343.06	9.11	-63.56
CC1=CC(Cl)=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028649	0	42	0.0	-71.95	360.30	12.10	-59.85
COCC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028650	0	46	0.0	-69.23	377.21	10.65	-58.58
O=C([O-])C1=CC2=C(C[NH2+]CC3=NC=CN3C3=CC=CC=C3)C=CC=C2C=C1	REAL300012028651	0	46	0.0	-67.54	379.61	12.59	-54.95
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4CC4)C=C3)C=CC=C2C=C1	REAL300012028652	0	46	0.0	-67.35	371.37	13.04	-54.31
O=C([O-])C1=CC2=C(C[NH2+]CC3=NC=C(Cl)S3)C=CC=C2C=C1	REAL300012028653	1	35	0.0	-65.78	324.00	8.69	-57.09
C=CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300012028654	0	40	0.0	-74.83	336.75	9.94	-64.89
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=NN3C3CCCC3)C=CC=C2C=C1	REAL300012028655	0	49	0.0	-69.52	388.29	11.44	-58.08
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028656	0	49	0.0	-63.04	395.97	12.57	-50.47
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C(F)F)C=C3)C=CC=C2C=C1	REAL300012028657	0	42	0.0	-71.19	354.33	11.80	-59.39
COC1=CC(C)=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=N1	REAL300012028658	0	48	0.0	-72.80	383.00	8.69	-64.11
COC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028659	0	43	0.0	-57.18	364.37	10.69	-46.49
CCC1=CC(OC)=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028660	0	49	0.0	-66.99	385.11	11.51	-55.48
CC1=NC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)N1C1=CC=CC=C1	REAL300012028661	0	49	0.0	-63.57	397.24	13.08	-50.49
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=NN1C	REAL300012028662	0	42	0.0	-72.85	341.75	9.20	-63.65
CCCN1N=C(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1C	REAL300012028663	0	51	0.0	-71.99	406.33	11.29	-60.70
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C(C4CC4)N=C3)C=CC=C2C=C1	REAL300012028664	0	44	0.0	-74.33	364.14	10.59	-63.74
COCCN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300012028665	0	46	0.0	-73.51	380.17	8.64	-64.87
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4CCC4)C=C3)C=CC=C2C=C1	REAL300012028666	0	49	0.0	-66.75	387.91	13.52	-53.23
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC2=CC=CC=C21	REAL300012028667	0	49	0.0	-71.76	396.63	12.53	-59.23
CCOC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1F	REAL300012028668	0	46	0.0	-70.68	379.73	11.23	-59.45
COC1=CC=CC2=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)C=CC=C12	REAL300012028669	0	49	0.0	-70.47	391.47	12.43	-58.04
N#CC1=CSC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028670	0	37	0.0	-72.84	333.41	10.46	-62.38
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1C#N	REAL300012028671	0	44	0.0	-79.67	371.86	10.65	-69.02
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028672	0	49	0.0	-69.75	394.47	12.71	-57.04
O=C([O-])C1=CC2=C(C[NH2+]CC3=NC=C(C(F)(F)F)S3)C=CC=C2C=C1	REAL300012028673	1	38	0.0	-68.55	347.50	9.25	-59.30
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1C#N	REAL300012028674	0	43	0.0	-76.97	362.16	11.83	-65.14
CC1=CN=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028675	0	38	0.0	-63.06	328.85	8.87	-54.19
CC(C)CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300012028676	0	48	0.0	-72.52	387.82	11.13	-61.39
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC=C3C3CC3)C=CC=C2C=C1	REAL300012028677	0	46	0.0	-65.04	365.16	12.94	-52.10
CC1=CC(Br)=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028678	0	39	0.0	-60.00	353.72	11.36	-48.64
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028679	0	54	0.0	-66.99	431.85	13.64	-53.35
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028680	0	49	0.0	-57.27	411.36	13.63	-43.64
CCC1=CN=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028681	0	41	0.0	-63.03	350.34	9.65	-53.38
CN1C(=O)CCC2=CC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CC=C21	REAL300012028682	0	50	0.0	-77.28	398.85	11.86	-65.42
CC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028683	0	46	0.0	-65.25	381.45	11.24	-54.01
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C(C4=CC=CC=C4F)S3)C=CC=C2C=C1	REAL300012028684	0	45	0.0	-71.18	391.69	12.18	-59.00
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(Cl)=CC=C3OCC3CC3)C=CC=C2C=C1	REAL300012028685	0	50	0.0	-63.69	420.55	13.31	-50.38
CC1=NN(C(C)C)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028686	0	48	0.0	-67.29	384.84	10.72	-56.57
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C(C4CCCC4)S3)C=CC=C2C=C1	REAL300012028687	0	48	0.0	-67.88	394.07	11.57	-56.31
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C(C4CC4)S3)C=CC=C2C=C1	REAL300012028688	0	42	0.0	-68.51	360.06	10.57	-57.94
CC(C)C1=NC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028689	0	44	0.0	-68.07	371.12	10.25	-57.82
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C(C4=CC=CO4)S3)C=CC=C2C=C1	REAL300012028690	0	42	0.0	-73.88	369.95	10.04	-63.84
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)C=C2)C=N1	REAL300012028691	0	49	0.0	-71.19	402.28	12.23	-58.96
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(CC(F)F)N=C3)C=CC=C2C=C1	REAL300012028692	0	42	0.0	-70.00	359.49	9.89	-60.11
CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C2=CC=C(F)C=C2)=N1	REAL300012028693	0	49	0.0	-77.17	406.45	12.34	-64.83
CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C2=CC=C(C#N)C=C2)=N1	REAL300012028694	0	50	0.0	-80.61	420.87	12.66	-67.95
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)N1	REAL300012028695	0	47	0.0	-83.51	379.27	9.09	-74.42
NC(=O)C1=CSC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028696	0	40	0.0	-69.13	348.49	6.80	-62.33
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300012028697	0	53	0.0	-73.10	430.52	13.36	-59.74
CCC1=NN(C)C(CC)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028698	0	51	0.0	-66.28	407.03	11.15	-55.13
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C(C4CCC4)S3)C=CC=C2C=C1	REAL300012028699	0	45	0.0	-67.94	376.71	11.04	-56.90
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C(C4CCCO4)S3)C=CC=C2C=C1	REAL300012028700	0	46	0.0	-70.32	385.89	9.17	-61.15
CC1=CC=CC=C1N1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)N=N1	REAL300012028701	1	48	0.0	-79.48	396.20	11.66	-67.82
CN1N=C(Br)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028702	0	39	0.0	-72.31	344.55	9.05	-63.26
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)S2)C=N1	REAL300012028703	0	46	0.0	-71.69	396.10	11.62	-60.07
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C4OCCCCOC4=C3)C=CC=C2C=C1	REAL300012028704	0	51	0.0	-71.43	401.23	11.81	-59.62
CCOC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028705	0	46	0.0	-70.93	387.59	12.16	-58.77
CCC1=CC=CC(F)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028706	0	45	0.0	-68.76	362.75	12.20	-56.56
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(F)C(Cl)=C3Cl)C=CC=C2C=C1	REAL300012028707	0	39	0.0	-77.69	355.02	11.91	-65.78
O=C([O-])C1=CC2=C(C[NH2+]CC3=NN(C(F)F)C=C3)C=CC=C2C=C1	REAL300012028708	0	39	0.0	-72.29	338.39	8.83	-63.46
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028709	0	50	0.0	-71.11	407.39	11.32	-59.79
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(F)C=CC=C3OC(F)(F)F)C=CC=C2C=C1	REAL300012028710	0	43	0.0	-63.68	372.12	10.81	-52.87
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=NN3C3=CC=C(F)C=C3)C=CC=C2C=C1	REAL300012028711	0	46	0.0	-75.83	380.44	11.77	-64.06
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C2=CN(C)N=C2)=C1	REAL300012028712	0	52	0.0	-67.47	419.15	13.11	-54.36
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C2=CC=NN2C)=C1	REAL300012028713	0	52	0.0	-59.26	417.77	12.49	-46.77
CC(C)C1=CN=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028714	0	44	0.0	-62.99	370.72	10.29	-52.70
CC(C)(C)C1=CN=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028715	0	47	0.0	-62.77	388.48	10.73	-52.04
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(C4CC4)N=CS3)C=CC=C2C=C1	REAL300012028716	0	42	0.0	-68.76	357.61	10.36	-58.40
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(Cl)C=C3N3C=NC=N3)C=CC=C2C=C1	REAL300012028717	0	45	0.0	-59.11	383.24	14.55	-44.56
COC(=O)C1=C(C)N(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028718	0	49	0.0	-71.24	400.20	11.43	-59.81
COCCCN1N=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028719	0	49	0.0	-63.74	392.58	9.03	-54.71
CC1=CC(F)=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(Cl)=C1	REAL300012028720	0	42	0.0	-60.50	362.92	12.02	-48.48
COCCOCC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028721	0	53	0.0	-71.79	432.70	10.89	-60.90
CSCC1=CN=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028722	1	42	0.0	-64.93	373.58	10.10	-54.83
O=C([O-])C1=CC2=C(C[NH2+]CC3=CSC=C3C(F)(F)F)C=CC=C2C=C1	REAL300012028723	0	39	0.0	-57.07	342.07	10.90	-46.17
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)SC2=C(Cl)C=CC=C12	REAL300012028724	0	45	0.0	-74.86	392.80	13.46	-61.40
CCN1N=C(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300012028725	1	44	0.0	-73.25	362.49	8.56	-64.69
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(C4CC4)=C3)C=CC=C2C=C1	REAL300012028726	0	46	0.0	-67.62	371.37	13.02	-54.60
CC1=NN(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028727	0	42	0.0	-71.18	344.71	9.08	-62.10
N#CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1F	REAL300012028728	0	40	0.0	-78.55	348.91	11.37	-67.18
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)C=CC=C2C=C1	REAL300012028729	0	42	0.0	-81.18	361.76	10.03	-71.15
CC1=CC(F)=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(F)=C1	REAL300012028730	0	42	0.0	-62.81	354.19	11.65	-51.16
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)O1	REAL300012028731	0	49	0.0	-63.07	406.18	11.36	-51.71
CC(C)CN1N=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028732	0	48	0.0	-68.35	383.32	10.96	-57.39
COC(=O)C1=C(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CN1	REAL300012028733	0	46	0.0	-68.75	379.76	9.94	-58.81
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028734	0	49	0.0	-73.08	405.02	12.89	-60.19
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028735	0	52	0.0	-71.02	422.02	13.41	-57.61
CC(C)(C#N)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028736	0	49	0.0	-75.77	398.77	12.89	-62.88
CC(C)C1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028737	0	48	0.0	-64.76	375.95	12.72	-52.04
O=C([O-])C1=CC2=C(C[NH2+]CC3=NN4CCCCC4=C3)C=CC=C2C=C1	REAL300012028738	0	46	0.0	-70.17	366.74	10.27	-59.90
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=NN3C3=CC=CC=C3)C=CC=C2C=C1	REAL300012028739	0	45	0.0	-72.42	368.61	10.43	-61.99
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=CN=CC=C4O3)C=CC=C2C=C1	REAL300012028740	0	41	0.0	-76.99	344.76	9.72	-67.27
COC1=CC(OC)=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1F	REAL300012028741	0	47	0.0	-69.40	386.02	9.66	-59.74
COC1=CC(F)=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1OC	REAL300012028742	0	47	0.0	-74.53	385.36	10.19	-64.34
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(Cl)=C1	REAL300012028743	0	42	0.0	-58.79	356.27	12.04	-46.75
CCC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028744	0	45	0.0	-66.76	365.04	12.36	-54.40
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028745	0	52	0.0	-71.20	422.11	13.41	-57.79
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(F)=C1	REAL300012028746	0	43	0.0	-62.13	357.21	10.25	-51.88
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC4=C3CCC4)C=CC=C2C=C1	REAL300012028747	0	46	0.0	-66.93	366.36	12.76	-54.17
COC1=CC=CC(F)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028748	0	43	0.0	-58.25	355.63	10.31	-47.94
CCCOC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=C1	REAL300012028749	0	52	0.0	-67.64	409.83	12.59	-55.05
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=CC=NC=C4S3)C=CC=C2C=C1	REAL300012028750	0	41	0.0	-75.63	354.27	10.69	-64.94
O=C([O-])C1=CC2=C(C[NH2+]CC3=C4CCCN4N=C3)C=CC=C2C=C1	REAL300012028751	0	43	0.0	-73.65	348.62	9.53	-64.12
CCC1=C2OC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CC2=CC=C1	REAL300012028752	0	48	0.0	-73.71	392.93	12.88	-60.83
C=CCCN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)N=N1	REAL300012028753	1	45	0.0	-79.52	374.67	9.60	-69.92
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=NN3CC3CC3)C=CC=C2C=C1	REAL300012028754	0	46	0.0	-73.57	375.93	10.96	-62.61
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(OC4CC4)=C3F)C=CC=C2C=C1	REAL300012028755	0	47	0.0	-61.61	388.07	11.94	-49.67
CCOC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=C1	REAL300012028756	0	49	0.0	-67.78	388.33	11.79	-55.99
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(F)=C3OC(F)F)C=CC=C2C=C1	REAL300012028757	0	43	0.0	-72.25	366.37	10.73	-61.52
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(F)=CC=C3OC(F)F)C=CC=C2C=C1	REAL300012028758	0	43	0.0	-70.00	366.44	10.64	-59.36
COC1=NC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028759	0	42	0.0	-61.57	347.89	7.71	-53.86
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(C4CCCC4)=C3)C=CC=C2C=C1	REAL300012028760	0	52	0.0	-66.89	406.37	14.14	-52.75
CN1C=C(C2=NN(C)C=C2C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300012028761	0	49	0.0	-64.51	405.49	9.95	-54.56
COCC1=CSC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028762	0	43	0.0	-68.71	367.68	9.76	-58.95
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(C4CCC4)N=N3)C=CC=C2C=C1	REAL300012028763	1	45	0.0	-79.58	364.33	9.41	-70.17
O=C([O-])C1=CC2=C(C[NH2+]CC3=CSC(C(F)(F)F)=C3)C=CC=C2C=C1	REAL300012028764	0	39	0.0	-75.30	352.77	11.08	-64.22
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C(F)(F)F)O3)C=CC=C2C=C1	REAL300012028765	0	39	0.0	-77.24	344.08	10.29	-66.95
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(C(F)(F)F)SC=C3)C=CC=C2C=C1	REAL300012028766	0	39	0.0	-72.62	343.90	11.03	-61.59
CN(C)C1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=CC(F)=C1F	REAL300012028767	0	47	0.0	-66.40	381.80	11.00	-55.40
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(F)C=CC(F)=C3Cl)C=CC=C2C=C1	REAL300012028768	1	39	0.0	-65.86	347.38	11.40	-54.46
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(OC4CCOC4)C=C3)C=CC=C2C=C1	REAL300012028769	0	51	0.0	-72.83	407.51	10.58	-62.25
CN(C)C1=CC(F)=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1F	REAL300012028770	0	47	0.0	-72.63	387.53	10.52	-62.11
COC(=O)C1=C2CCCCN2C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028771	0	53	0.0	-70.57	423.83	12.67	-57.90
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(F)C(F)=C3F)C=CC=C2C=C1	REAL300012028772	0	39	0.0	-83.85	339.24	11.10	-72.75
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC(C(F)(F)F)=C1	REAL300012028773	0	46	0.0	-71.68	390.39	11.22	-60.46
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1OC1CC1	REAL300012028774	0	51	0.0	-73.63	411.94	11.80	-61.83
CCCN1N=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028775	0	45	0.0	-68.81	360.31	10.06	-58.75
CN1N=C(C(F)(F)F)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028776	0	42	0.0	-74.57	364.14	9.48	-65.09
COCC(C)OC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028777	0	53	0.0	-73.15	423.73	11.13	-62.02
CCCC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028778	0	45	0.0	-67.54	377.24	12.40	-55.14
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)C=CC=C2C=C1	REAL300012028779	0	46	0.0	-69.46	389.51	13.55	-55.91
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=NN3CCC3=CC=CC=C3)C=CC=C2C=C1	REAL300012028780	0	52	0.0	-64.71	418.82	12.98	-51.73
CC(C)C1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028781	0	48	0.0	-66.84	382.37	12.85	-53.99
CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(Cl)=N1	REAL300012028782	0	39	0.0	-75.74	341.65	9.16	-66.58
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1C(C)(C)C	REAL300012028783	0	55	0.0	-68.69	422.82	12.91	-55.78
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(CC4CCC4)=C3)C=CC=C2C=C1	REAL300012028784	0	52	0.0	-66.61	413.20	14.43	-52.18
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=NC=C1Br	REAL300012028785	0	41	0.0	-73.82	356.97	10.29	-63.53
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(O)C=CC=C3Br)C=CC=C2C=C1	REAL300012028786	0	40	0.0	-58.24	349.92	8.63	-49.61
CN1C=C(C2=NC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CS2)C=N1	REAL300012028787	0	45	0.0	-76.98	391.66	9.52	-67.46
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1Cl	REAL300012028788	0	43	0.0	-72.63	367.68	10.78	-61.85
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=NN3CC3CCC3)C=CC=C2C=C1	REAL300012028789	0	49	0.0	-74.40	388.54	11.32	-63.08
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)C=CC=C2C=C1	REAL300012028790	1	45	0.0	-83.36	381.46	10.83	-72.53
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC=C3CC(F)(F)F)C=CC=C2C=C1	REAL300012028791	0	45	0.0	-65.27	371.28	12.50	-52.77
CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(Br)=N1	REAL300012028792	1	39	0.0	-74.03	345.69	9.22	-64.81
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(F)=C1	REAL300012028793	0	42	0.0	-60.21	349.14	11.64	-48.57
CC(=O)NC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028794	0	46	0.0	-78.41	377.98	9.84	-68.57
CN1N=CC2=CC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CN=C21	REAL300012028795	0	44	0.0	-76.33	366.46	10.05	-66.28
O=C([O-])C1=CC2=C(C[NH2+]CC3=NC=C(Br)C=C3F)C=CC=C2C=C1	REAL300012028796	1	38	0.0	-65.56	343.80	9.73	-55.83
COC1=CC(Cl)=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1OC	REAL300012028797	0	47	0.0	-71.43	392.68	10.60	-60.83
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(CC(F)(F)F)C=C3)C=CC=C2C=C1	REAL300012028798	0	45	0.0	-69.61	383.13	12.72	-56.89
CN1N=C2CCCCC2=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028799	0	49	0.0	-72.51	386.35	10.93	-61.58
CCOC(=O)C1=C(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C(C)N1	REAL300012028800	0	52	0.0	-66.64	422.49	11.31	-55.33
CC1=C(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CS1	REAL300012028801	0	42	0.0	-66.55	348.74	11.26	-55.29
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C(Cl)C(F)=C3)C=CC=C2C=C1	REAL300012028802	0	38	0.0	-78.65	339.74	9.62	-69.03
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(Br)SC=C3)C=CC=C2C=C1	REAL300012028803	0	36	0.0	-66.53	330.10	10.59	-55.94
CCOC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C(F)C=C1OC	REAL300012028804	0	50	0.0	-74.56	407.26	11.09	-63.47
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)C=CC=C2C=C1	REAL300012028805	0	45	0.0	-73.36	368.66	13.11	-60.25
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CN=C3Br)C=CC=C2C=C1	REAL300012028806	0	38	0.0	-73.33	332.68	9.61	-63.72
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(F)=C3OC(F)(F)F)C=CC=C2C=C1	REAL300012028807	0	43	0.0	-60.56	373.11	10.88	-49.68
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028808	0	49	0.0	-64.20	396.45	11.91	-52.29
CCOC1=CC(F)=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028809	0	46	0.0	-71.31	379.93	11.23	-60.08
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C(=O)N4CCCC4)C=C3)C=CC=C2C=C1	REAL300012028810	0	53	0.0	-74.11	418.16	11.95	-62.16
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(OC(F)F)C=C3F)C=CC=C2C=C1	REAL300012028811	0	43	0.0	-65.44	366.96	10.53	-54.91
CC(C)(C)OC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028812	0	52	0.0	-65.43	402.56	12.07	-53.36
CC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028813	0	42	0.0	-66.73	351.01	12.00	-54.73
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C(F)C=C1C	REAL300012028814	0	46	0.0	-72.01	376.26	11.01	-61.00
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=C1Br	REAL300012028815	0	45	0.0	-66.61	373.25	12.65	-53.96
CC1=CC=NC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1Br	REAL300012028816	1	41	0.0	-61.59	353.80	10.18	-51.41
CC(C)(C)C1=CSC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300012028817	0	47	0.0	-63.08	387.73	10.65	-52.43
COCCC1=NC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028818	0	45	0.0	-70.24	384.01	8.72	-61.52
CN1N=C2CCSCC2=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028820	0	47	0.0	-78.22	385.71	10.57	-67.65
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CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028851	1	59	0.0	-66.00	443.92	13.02	-52.98
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CC1=NN2C(=NC(C)=C2C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028856	0	44	0.0	-68.07	377.38	10.13	-57.94
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028857	0	50	0.0	-67.58	418.48	11.40	-56.18
CCCC(C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21)C1=CC=CC=C1	REAL300012028858	0	51	0.0	-61.80	399.18	13.55	-48.25
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CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028864	0	49	0.0	-65.18	403.89	13.56	-51.62
CC1=CN=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)N1C	REAL300012028865	0	42	0.0	-76.41	342.46	9.78	-66.63
CC(C)C1CCC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300012028866	0	54	0.0	-65.79	399.06	12.98	-52.81
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028867	0	50	0.0	-69.80	408.79	12.33	-57.47
COCC1=CC=CC=C1C=C(C)C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028868	0	53	0.0	-69.95	420.67	12.53	-57.42
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028869	0	49	0.0	-59.16	394.51	11.76	-47.40
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CCC1=NOC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028871	0	41	0.0	-70.44	335.91	9.74	-60.70
CN1N=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1Cl	REAL300012028872	0	39	0.0	-65.29	340.79	9.07	-56.22
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COC1=CC=C(N2C=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)C=N2)C=C1	REAL300012028874	0	50	0.0	-70.80	410.48	11.43	-59.37
CC1=CN=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028875	0	41	0.0	-70.87	332.31	9.77	-61.10
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)C=CC=C2C=C1	REAL300012028876	0	41	0.0	-81.05	361.56	8.91	-72.14
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CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012028879	0	42	0.0	-81.97	375.23	7.62	-74.35
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=NN3C3=CC=CC=N3)C=CC=C2C=C1	REAL300012028880	0	45	0.0	-62.25	367.76	11.31	-50.94
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(F)=C1	REAL300012028881	0	44	0.0	-72.34	381.96	5.92	-66.42
CC(C)N1C=CN=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028883	0	45	0.0	-74.91	363.01	10.75	-64.16
CC1=C(Br)C=NC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028884	0	41	0.0	-72.87	351.40	10.22	-62.65
CN1N=CC(C(F)(F)F)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028885	0	42	0.0	-78.67	358.92	9.51	-69.16
CN1N=CC(C2CC2)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028886	0	46	0.0	-73.76	372.86	10.57	-63.19
CN1N=CC(C2CCC2)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028887	0	49	0.0	-73.53	389.27	11.08	-62.45
CC1=NC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)N1C	REAL300012028888	0	42	0.0	-66.48	341.83	9.85	-56.63
CC1=C2C=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)NC2=CC=C1	REAL300012028889	0	46	0.0	-72.18	375.00	11.52	-60.66
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CC1=CC=C2C=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)NC2=C1	REAL300012028891	0	46	0.0	-72.39	375.41	11.53	-60.86
CC1=NC=CN=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028892	0	40	0.0	-65.74	329.12	7.74	-58.00
CCOC1=CN=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028893	0	45	0.0	-72.31	368.44	9.34	-62.97
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CCC(F)(F)C(C)(C)C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028897	0	47	0.0	-64.05	361.67	11.32	-52.73
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CCCN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)N=N1	REAL300012028907	1	44	0.0	-80.09	361.86	9.04	-71.05
CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028908	0	47	0.0	-64.38	381.03	11.02	-53.36
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CC1=NN(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1Cl	REAL300012028918	0	42	0.0	-75.19	361.24	9.58	-65.61
CN1C=CC(C2=NC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CS2)=N1	REAL300012028919	1	45	0.0	-80.97	391.77	9.40	-71.57
CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C2CCCC2)=N1	REAL300012028920	0	52	0.0	-69.40	410.48	11.84	-57.56
CC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1Br	REAL300012028921	0	42	0.0	-58.13	356.64	12.05	-46.08
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C4OCCCC4=C3)C=CC=C2C=C1	REAL300012028922	0	47	0.0	-68.75	375.85	11.56	-57.19
CN(C)C(=O)C1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028923	0	49	0.0	-68.02	394.72	10.75	-57.27
CCC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(Cl)=NN1	REAL300012028924	0	42	0.0	-60.26	355.30	9.12	-51.14
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(C4CC4)NN=C3Cl)C=CC=C2C=C1	REAL300012028925	0	43	0.0	-72.63	368.51	9.88	-62.75
CCC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=NO1	REAL300012028926	0	44	0.0	-73.73	360.91	10.51	-63.22
CCN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)N=N1	REAL300012028927	1	41	0.0	-80.34	340.38	8.28	-72.06
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C2CCCCC2=N1	REAL300012028928	0	51	0.0	-72.78	394.74	12.12	-60.66
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC=C3N3CCCCC3)C=CC=C2C=C1	REAL300012028929	0	54	0.0	-60.08	415.96	12.99	-47.09
CCOC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)O1	REAL300012028930	0	43	0.0	-71.19	357.76	10.43	-60.76
O=C([O-])C1=CC2=C(C[NH2+]CC3=CSC(C(F)(F)F)=N3)C=CC=C2C=C1	REAL300012028931	1	38	0.0	-79.29	347.80	9.03	-70.26
CCN1C=NC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028932	0	42	0.0	-70.79	346.03	11.11	-59.68
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CN=C1F	REAL300012028933	0	41	0.0	-73.89	343.79	9.71	-64.18
CC1=CC(F)=NC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028934	0	41	0.0	-77.33	338.67	9.72	-67.61
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C(F)F)C(F)=C3)C=CC=C2C=C1	REAL300012028935	0	42	0.0	-72.54	361.58	11.90	-60.64
COC(=O)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1C	REAL300012028936	0	48	0.0	-76.93	392.98	12.13	-64.80
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=C1	REAL300012028937	0	46	0.0	-68.02	366.47	10.86	-57.16
CC1=C(Cl)C=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1Cl	REAL300012028938	0	42	0.0	-61.68	367.65	12.39	-49.29
N#CC1=CC=C(Br)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028939	0	40	0.0	-69.91	358.37	11.91	-58.00
CC1CC2=CC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CC=C2O1	REAL300012028940	0	47	0.0	-71.99	379.02	11.53	-60.46
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC4=C3OC(=O)N4)C=CC=C2C=C1	REAL300012028941	0	42	0.0	-64.56	353.91	8.43	-56.13
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC4=C3OCC4)C=CC=C2C=C1	REAL300012028942	0	44	0.0	-60.59	357.90	10.77	-49.82
CSCC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028943	0	46	0.0	-68.83	388.27	12.81	-56.02
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(CC4CCC4)N=C3)C=CC=C2C=C1	REAL300012028944	0	49	0.0	-66.12	394.39	11.68	-54.44
CN1N=C2CCOCC2=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028945	0	47	0.0	-77.05	377.45	8.54	-68.51
CN1N=C2CCCC2=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028946	0	46	0.0	-73.01	368.89	10.41	-62.60
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=NN3C3CCC3)C=CC=C2C=C1	REAL300012028947	0	46	0.0	-69.38	370.92	10.73	-58.65
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(C4CCC4)N=C3)C=CC=C2C=C1	REAL300012028948	0	46	0.0	-72.66	370.32	10.72	-61.94
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028949	0	52	0.0	-58.84	424.46	12.49	-46.35
COC(=O)COC1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028950	0	49	0.0	-59.06	406.65	11.89	-47.17
COC1=CC=C(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028951	0	46	0.0	-69.72	366.48	10.85	-58.87
CN1C=NC2=CC=CC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=C21	REAL300012028952	0	45	0.0	-73.98	360.55	12.19	-61.79
CCC1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028953	0	45	0.0	-64.81	355.59	12.22	-52.59
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028954	0	49	0.0	-74.94	393.76	10.77	-64.17
CC1=CC(F)=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028955	0	42	0.0	-73.47	349.98	11.67	-61.80
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=C1C	REAL300012028956	0	48	0.0	-66.07	371.71	12.66	-53.41
CCNC(=O)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028957	0	49	0.0	-73.65	400.11	10.06	-63.59
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028958	0	51	0.0	-60.68	375.53	13.12	-47.56
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C4CCCCCN34)C=CC=C2C=C1	REAL300012028959	0	49	0.0	-65.78	378.23	11.33	-54.45
COC1=CC=C2SC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CC2=C1	REAL300012028960	0	46	0.0	-72.05	389.08	11.75	-60.30
O=C([O-])C1=CC2=C(C[NH2+]CC3=CON=C3C3CC3)C=CC=C2C=C1	REAL300012028961	0	42	0.0	-71.84	350.30	10.54	-61.30
CCN(CC)C(=O)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028962	0	55	0.0	-74.09	433.40	12.65	-61.44
CCN1CCC2=CC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CC=C21	REAL300012028963	0	51	0.0	-68.76	401.45	11.55	-57.21
CCN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012028964	0	52	0.0	-74.50	415.01	11.78	-62.72
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=NN1C(C)C	REAL300012028965	0	48	0.0	-72.57	385.10	10.70	-61.87
CSC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1Cl	REAL300012028966	0	43	0.0	-76.09	377.38	12.40	-63.69
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1C1CC1	REAL300012028967	0	49	0.0	-67.22	389.18	13.55	-53.67
CCOC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=N1	REAL300012028968	0	45	0.0	-75.59	371.09	8.57	-67.02
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1C1CC1	REAL300012028969	0	49	0.0	-67.09	388.59	13.56	-53.53
CC1=NN(C2=CC=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)C(C)=C2)C=C1	REAL300012028970	0	52	0.0	-72.04	417.27	13.35	-58.69
COC(=O)C1=CC2=C(C=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)O2)N1	REAL300012028971	0	46	0.0	-81.82	390.73	9.71	-72.11
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)O1	REAL300012028972	0	40	0.0	-71.42	335.92	9.50	-61.92
COCCOC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)O1	REAL300012028973	0	47	0.0	-72.29	391.39	9.67	-62.62
CC1=NN(C(C)C)C(C)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028974	0	51	0.0	-71.69	405.65	11.24	-60.45
O=C([O-])C1=CC2=C(C[NH2+]CC3=NN(CCF)C=C3)C=CC=C2C=C1	REAL300012028975	0	42	0.0	-71.90	353.15	9.64	-62.26
CCN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=N1	REAL300012028976	0	45	0.0	-67.86	366.16	10.19	-57.67
CC1=CC=C(C2=CC=CC=C2C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=C1	REAL300012028977	0	55	0.0	-57.27	432.75	15.43	-41.84
CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C2CC2)=N1	REAL300012028978	0	46	0.0	-68.57	376.96	10.92	-57.65
COC(=O)C1=C2COCCN2C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012028979	0	51	0.0	-72.40	415.55	10.31	-62.09
CN1N=C(C2CC2)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028980	0	46	0.0	-71.87	374.47	10.59	-61.28
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028981	0	49	0.0	-74.88	393.48	13.85	-61.03
CC(C)C1=NOC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028982	0	44	0.0	-71.64	360.35	10.22	-61.42
O=C([O-])C1=CC2=C(C[NH2+]CC3=CNN=C3C3=CC=C(Cl)O3)C=CC=C2C=C1	REAL300012028983	0	43	0.0	-59.49	378.36	9.85	-49.64
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=C(C4CCOCC4)O3)C=CC=C2C=C1	REAL300012028984	0	49	0.0	-72.59	394.43	7.39	-65.20
COC1=NC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1F	REAL300012028985	0	42	0.0	-65.47	354.82	7.69	-57.78
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN4C=CN=C4S3)C=CC=C2C=C1	REAL300012028986	0	39	0.0	-82.82	339.54	10.89	-71.93
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C(C(C)(C)C)O1	REAL300012028987	0	51	0.0	-67.78	406.10	12.50	-55.28
CC1=C(C)SC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300012028988	0	41	0.0	-63.19	347.63	9.38	-53.81
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(CC4=CC=CC=C4)N=N3)C=CC=C2C=C1	REAL300012028989	1	48	0.0	-82.47	400.31	11.27	-71.20
CC(C)(C)OC(=O)N1CCC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300012028990	0	59	0.0	-74.84	445.87	11.97	-62.87
CC1=CC(Br)=CN=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028991	0	41	0.0	-72.79	354.71	10.28	-62.51
CC1OC2=CC=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)C=C2C1C	REAL300012028992	0	50	0.0	-72.09	395.54	12.04	-60.05
CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1OC(F)F	REAL300012028993	0	46	0.0	-71.79	381.49	11.26	-60.53
CC(C)CC1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012028994	0	51	0.0	-65.32	394.63	13.47	-51.85
CN1N=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1S(C)(=O)=O	REAL300012028995	1	45	0.0	-72.17	374.59	6.28	-65.89
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)NN=C1C(F)(F)F	REAL300012028996	0	42	0.0	-77.25	359.86	8.88	-68.37
CC(C)CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)N=N1	REAL300012028997	1	47	0.0	-79.96	381.67	9.79	-70.17
O=C([O-])C1=CC2=C(C[NH2+]CC3=NC(C4CC4)=CS3)C=CC=C2C=C1	REAL300012028998	0	42	0.0	-63.37	357.79	10.14	-53.23
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(C(F)(F)F)=NN3)C=CC=C2C=C1	REAL300012028999	0	39	0.0	-78.87	343.41	8.30	-70.57
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C4CCOC4=C3)C=CC=C2C=C1	REAL300012029000	0	44	0.0	-67.40	358.01	10.77	-56.63
CS(=O)(=O)C1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=CS1	REAL300012029002	1	42	0.0	-63.72	365.46	7.93	-55.79
CSC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029003	0	43	0.0	-65.85	362.37	11.95	-53.90
CC(C)C1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)N(C)N=C1	REAL300012029004	0	48	0.0	-73.02	384.32	10.41	-62.61
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC(C)=N1	REAL300012029005	0	44	0.0	-71.93	360.26	10.37	-61.56
CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C2=CC=CC(F)=C2)=N1	REAL300012029006	0	49	0.0	-72.36	406.48	12.34	-60.02
CCCN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=N1	REAL300012029007	0	48	0.0	-67.64	387.66	10.95	-56.69
CCN1C=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300012029008	0	42	0.0	-70.26	346.56	9.51	-60.75
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=NC=CC=C4O3)C=CC=C2C=C1	REAL300012029009	0	41	0.0	-75.20	344.78	9.66	-65.54
CC1=C(C)OC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300012029010	1	41	0.0	-67.15	340.19	7.07	-60.08
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(CC4CC4)S3)C=CC=C2C=C1	REAL300012029011	0	46	0.0	-67.71	387.35	13.17	-54.54
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(OC4CC4)C=C3)C=CC=C2C=C1	REAL300012029012	0	47	0.0	-71.56	382.70	11.89	-59.67
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(OC(F)(F)F)C=C3F)C=CC=C2C=C1	REAL300012029013	0	43	0.0	-64.67	373.70	10.75	-53.92
CC1=NC=CN1C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=C1	REAL300012029014	0	52	0.0	-75.97	417.34	13.95	-62.02
CC1=C(C)N(C2=CC=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)C=C2)C=N1	REAL300012029015	0	52	0.0	-76.77	419.89	14.54	-62.23
CNC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029016	0	46	0.0	-67.52	378.63	9.20	-58.32
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4CC4)C(C4CC4)=C3)C=CC=C2C=C1	REAL300012029017	0	53	0.0	-67.62	416.57	14.96	-52.66
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029019	0	49	0.0	-67.09	400.12	10.05	-57.04
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)OC2=CC=C(F)C=C12	REAL300012029020	0	45	0.0	-74.37	375.97	12.13	-62.24
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(C4CCC4)=NN3)C=CC=C2C=C1	REAL300012029021	0	46	0.0	-71.72	369.26	9.85	-61.87
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029022	0	49	0.0	-74.45	402.23	12.05	-62.40
CCCN1C=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300012029023	0	45	0.0	-70.23	368.06	10.27	-59.96
CC(C)N1C=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300012029024	0	45	0.0	-69.94	365.25	10.04	-59.90
CC(C)(C)C1=CN=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029025	0	50	0.0	-73.01	393.55	11.43	-61.58
O=C([O-])C1=CC2=C(C[NH2+]CC3=NN(CC(F)(F)F)C=C3)C=CC=C2C=C1	REAL300012029026	0	42	0.0	-75.59	364.44	10.00	-65.59
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC4=C3C3=C(C=CC=C3)N4)C=CC=C2C=C1	REAL300012029027	0	49	0.0	-65.82	394.92	12.97	-52.85
CN1C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=NC2=C1CCCC2	REAL300012029028	0	49	0.0	-61.94	384.87	11.60	-50.34
COC1=NC(Cl)=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029029	0	42	0.0	-64.80	364.75	8.13	-56.67
CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C(F)(F)F)=N1	REAL300012029030	0	42	0.0	-62.25	358.93	9.72	-52.53
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(C(F)F)=C3F)C=CC=C2C=C1	REAL300012029031	0	42	0.0	-62.10	360.74	11.87	-50.23
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC4=C3COCC4)C=CC=C2C=C1	REAL300012029032	0	47	0.0	-67.76	368.88	10.93	-56.83
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029033	0	46	0.0	-63.48	388.87	11.73	-51.75
COC1=NN(C)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029034	0	43	0.0	-62.49	357.87	6.67	-55.82
O=C([O-])C1=CC2=C(C[NH2+]CC3=NC4=C(COCC4)S3)C=CC=C2C=C1	REAL300012029035	1	43	0.0	-65.15	361.56	8.26	-56.89
O=C([O-])C1=CC2=C(C[NH2+]CC3=CNN=C3C3=CC=CC(F)=C3)C=CC=C2C=C1	REAL300012029036	0	46	0.0	-69.92	385.05	10.85	-59.07
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=C(CCCC4)O3)C=CC=C2C=C1	REAL300012029037	0	46	0.0	-69.33	366.43	11.77	-57.56
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(F)=CC([N+](=O)[O-])=C3)C=CC=C2C=C1	REAL300012029038	0	41	0.0	-79.01	356.78	11.67	-67.34
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(C4CCCCC4)N=C3)C=CC=C2C=C1	REAL300012029039	0	52	0.0	-72.12	406.80	11.98	-60.14
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(Cl)N(C4=CC=CC=C4)N=C3)C=CC=C2C=C1	REAL300012029040	0	46	0.0	-67.27	396.02	12.41	-54.86
CN(CCO)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300012029041	0	50	0.0	-71.89	401.73	8.50	-63.39
COC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=CC=C1C(C)(C)C	REAL300012029042	0	55	0.0	-61.44	415.53	12.66	-48.78
CN1C=C(Br)N=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029043	1	39	0.0	-64.10	343.51	9.79	-54.31
COC1=CC(C)=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300012029044	0	45	0.0	-73.31	364.43	8.26	-65.05
COC1=CC(C)=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1O	REAL300012029045	0	47	0.0	-74.47	377.75	8.60	-65.87
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=CC=C(F)C=C4NC3=O)C=CC=C2C=C1	REAL300012029046	0	45	0.0	-85.89	378.90	10.04	-75.85
CN1C(=O)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC2=CC=CC=C21	REAL300012029047	0	48	0.0	-82.16	389.49	11.73	-70.43
COC1=NC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1C	REAL300012029048	0	45	0.0	-72.76	369.45	8.32	-64.44
CCCN1C=NC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029049	0	45	0.0	-64.58	358.31	11.69	-52.89
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CNC3=O)C=CC=C2C=C1	REAL300012029050	0	39	0.0	-79.28	325.77	7.85	-71.43
O=C([O-])C1=CC2=C(C[NH2+]CC=CC3=CC=C4OCOC4=C3)C=CC=C2C=C1	REAL300012029051	0	46	0.0	-71.80	379.25	10.89	-60.91
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(CC4CCC4)C=C3)C=CC=C2C=C1	REAL300012029052	0	52	0.0	-66.58	413.21	14.45	-52.13
CCC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=NN1CC	REAL300012029053	0	48	0.0	-70.29	381.52	10.85	-59.44
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(F)C=CC(Cl)=C3F)C=CC=C2C=C1	REAL300012029054	1	39	0.0	-67.40	348.96	11.48	-55.92
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(C4CC4)=NN3)C=CC=C2C=C1	REAL300012029055	0	43	0.0	-72.37	353.75	9.40	-62.97
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=NN3C3CC3(F)F)C=CC=C2C=C1	REAL300012029056	0	43	0.0	-74.55	365.88	10.48	-64.07
COC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=CS1	REAL300012029057	0	40	0.0	-60.65	343.70	9.35	-51.30
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C(F)(F)F)=CO1	REAL300012029058	0	42	0.0	-73.32	361.50	10.71	-62.61
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029059	0	45	0.0	-67.90	375.36	12.45	-55.45
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=CSC=C4)N=C3)C=CC=C2C=C1	REAL300012029060	0	45	0.0	-70.67	385.07	11.71	-58.96
CN1C=C(C2=NNC=C2C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300012029061	0	46	0.0	-74.29	379.21	8.77	-65.52
CCCN1N=C(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1Cl	REAL300012029062	0	48	0.0	-63.98	403.62	11.19	-52.79
CC(C)(C#N)C1=NC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)S1	REAL300012029063	0	45	0.0	-76.44	388.83	10.26	-66.18
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(F)=CC(F)=C3F)C=CC=C2C=C1	REAL300012029064	0	39	0.0	-66.31	340.42	11.09	-55.22
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=CSC=C4)C=C3)C=CC=C2C=C1	REAL300012029065	0	46	0.0	-69.40	387.72	13.36	-56.04
CC(C)(C)C1=NNC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029066	0	48	0.0	-71.33	384.12	9.76	-61.57
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC4=CC(Cl)=CC=C43)C=CC=C2C=C1	REAL300012029067	0	45	0.0	-69.74	379.79	13.58	-56.16
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC=C3OC3CCCCC3)C=CC=C2C=C1	REAL300012029068	0	56	0.0	-59.87	431.70	13.77	-46.10
C=CCC1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029069	0	46	0.0	-64.75	369.27	12.80	-51.95
CCN1CCCC2=CC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=CC=C21	REAL300012029070	0	54	0.0	-67.60	411.38	12.07	-55.53
COCC1=CN=C(OC)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029071	0	49	0.0	-70.24	402.07	7.47	-62.77
CN1N=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1Br	REAL300012029072	1	39	0.0	-64.89	344.92	9.15	-55.74
O=C([O-])C1=CC2=C(C[NH2+]CC=CC3=CC=CC=C3)C=CC=C2C=C1	REAL300012029073	0	43	0.0	-66.83	353.19	12.22	-54.61
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN=NN3C3CC3)C=CC=C2C=C1	REAL300012029074	0	42	0.0	-72.95	348.64	8.94	-64.01
COCC1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029075	0	46	0.0	-68.11	368.58	10.78	-57.33
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(SC(F)(F)F)=C3)C=CC=C2C=C1	REAL300012029076	0	43	0.0	-70.32	378.55	12.39	-57.93
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C4C(=C3)CCC43OCCO3)C=CC=C2C=C1	REAL300012029077	0	52	0.0	-71.53	415.35	11.60	-59.93
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C4CCOCC4=C3)C=CC=C2C=C1	REAL300012029078	0	47	0.0	-69.40	375.78	11.00	-58.40
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(CCO)N=C3)C=CC=C2C=C1	REAL300012029079	0	43	0.0	-69.31	357.92	6.25	-63.06
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)SC2=CC(F)=CC=C12	REAL300012029080	0	45	0.0	-74.13	382.69	13.06	-61.07
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(C4=CC=NC=C4)=NN3)C=CC=C2C=C1	REAL300012029081	0	45	0.0	-76.59	376.77	9.11	-67.48
COC1=CC=C(F)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1OC	REAL300012029082	0	47	0.0	-65.30	386.45	10.22	-55.08
O=C([O-])C1=CC2=C(C[NH2+]CC=CC3=CC=NC=C3)C=CC=C2C=C1	REAL300012029083	0	42	0.0	-71.19	348.21	10.47	-60.72
CN1C=CC(C2=NNC=C2C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300012029084	0	46	0.0	-61.27	382.45	8.99	-52.28
C=CC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012029085	0	43	0.0	-67.90	353.27	12.02	-55.88
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(OCC4CCC4)=C3)C=CC=C2C=C1	REAL300012029086	0	53	0.0	-66.00	421.74	13.29	-52.71
CC(F)(F)C1=CC=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029087	0	45	0.0	-62.35	362.62	12.46	-49.89
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC=C1OCCO	REAL300012029088	0	51	0.0	-76.35	414.12	7.97	-68.38
CCN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C2CC2)=N1	REAL300012029089	0	49	0.0	-67.97	398.50	11.78	-56.19
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1OCCO	REAL300012029090	0	51	0.0	-74.86	414.12	7.97	-66.89
CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C2=CC=NN2C)=N1	REAL300012029091	0	49	0.0	-64.85	407.66	9.85	-55.00
CC(C)(C)C1=NOC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029092	0	47	0.0	-75.29	369.74	10.69	-64.60
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=CN=CC=C4C=C3)C=CC=C2C=C1	REAL300012029093	0	44	0.0	-74.80	363.15	11.41	-63.39
CC1=CC2=CC=CC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=C2O1	REAL300012029094	0	45	0.0	-62.21	371.38	12.08	-50.13
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(F)=C3C(F)(F)F)C=CC=C2C=C1	REAL300012029095	0	42	0.0	-71.18	355.94	12.05	-59.13
COC1=CSC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1OC	REAL300012029096	0	44	0.0	-64.88	371.30	9.09	-55.79
O=C([O-])C1=CC2=C(C[NH2+]CC3=CON=C3C3CCC3)C=CC=C2C=C1	REAL300012029097	0	45	0.0	-72.39	366.85	11.01	-61.38
CS(=O)(=O)C1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)SC=C1	REAL300012029098	1	42	0.0	-68.54	363.82	7.57	-60.97
CS(=O)(=O)C1=COC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029099	0	42	0.0	-78.67	365.97	6.53	-72.14
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3F)C=CC=C2C=C1	REAL300012029100	0	42	0.0	-65.58	366.45	11.97	-53.61
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1F	REAL300012029101	0	49	0.0	-70.43	397.65	11.86	-58.57
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(F)C(Cl)=C3F)C=CC=C2C=C1	REAL300012029103	0	39	0.0	-81.32	348.69	11.54	-69.78
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(C(F)F)=C3)C=CC=C2C=C1	REAL300012029104	0	42	0.0	-67.90	354.33	11.79	-56.11
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(F)C4=CC=CC=C4C=C3)C=CC=C2C=C1	REAL300012029105	0	45	0.0	-62.12	372.67	13.19	-48.93
CS(=O)(=O)C1=CSC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029106	0	42	0.0	-74.98	374.39	7.53	-67.45
O=C([O-])C1=CC2=C(C[NH2+]CC3=CSC(Cl)=C3)C=CC=C2C=C1	REAL300012029107	0	36	0.0	-67.63	329.18	10.49	-57.14
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=NN1C1CCC1	REAL300012029108	0	49	0.0	-72.48	389.82	11.42	-61.06
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(C4=CC=CC(Cl)=C4)N=C3)C=CC=C2C=C1	REAL300012029109	0	46	0.0	-73.08	397.71	12.66	-60.42
CC1=NN(C2CCCC2)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029110	0	52	0.0	-69.62	410.24	12.02	-57.60
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=NN3CC(F)F)C=CC=C2C=C1	REAL300012029111	0	42	0.0	-69.84	356.03	9.63	-60.21
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029112	0	49	0.0	-73.94	402.84	11.60	-62.34
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(Cl)=C3C(F)(F)F)C=CC=C2C=C1	REAL300012029113	0	42	0.0	-70.10	363.61	12.40	-57.70
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(F)C=CN=C3Cl)C=CC=C2C=C1	REAL300012029114	1	38	0.0	-66.32	336.67	9.54	-56.78
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(C4=CC=CC(F)=C4)N=C3)C=CC=C2C=C1	REAL300012029115	0	46	0.0	-73.35	387.39	12.21	-61.14
CN(C)C1=CN=CC(F)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029116	0	46	0.0	-60.54	375.98	9.02	-51.52
COC1=NC(C)=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=C1Cl	REAL300012029117	0	48	0.0	-73.32	396.58	9.16	-64.16
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029118	1	48	0.0	-67.72	398.25	11.29	-56.43
O=C([O-])C1=CC2=C(C[NH2+]CC3=NN(C4CCC4)C=C3)C=CC=C2C=C1	REAL300012029119	0	46	0.0	-70.23	370.37	10.62	-59.61
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O=C([O-])C1=CC2=C(C[NH2+]CC3=NN(C4CC4(F)F)C=C3)C=CC=C2C=C1	REAL300012029121	0	43	0.0	-76.72	368.05	10.37	-66.35
CC1=NN(C2CCCCC2)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029122	0	55	0.0	-66.92	426.46	12.58	-54.34
O=C([O-])C1=CC2=C(C[NH2+]CC3=CN(C4CCOCC4)N=C3)C=CC=C2C=C1	REAL300012029123	0	50	0.0	-72.25	397.57	9.58	-62.67
CC1=NN(C2CCOCC2)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029124	0	53	0.0	-68.21	417.98	10.11	-58.10
CC1=CN(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300012029125	0	42	0.0	-62.27	343.72	9.90	-52.37
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NS(=O)(=O)C1=CSC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029127	0	41	0.0	-74.51	367.91	4.94	-69.57
O=C([O-])C1=CC2=C(C[NH2+]CC3=NC=C(Cl)C=C3Cl)C=CC=C2C=C1	REAL300012029128	1	38	0.0	-64.09	348.00	10.01	-54.08
CC1=NSC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029129	0	38	0.0	-71.50	323.03	9.15	-62.35
CC1=NN(C2CCCC2)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029130	0	52	0.0	-66.90	407.50	11.97	-54.93
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC=C3C(F)F)C=CC=C2C=C1	REAL300012029131	0	42	0.0	-62.60	345.81	11.91	-50.69
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=CNN=C4C=C3)C=CC=C2C=C1	REAL300012029132	0	42	0.0	-72.06	348.41	9.65	-62.41
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(Cl)C(F)=C3F)C=CC=C2C=C1	REAL300012029133	0	39	0.0	-82.11	349.13	11.55	-70.56
CC1=C(F)C=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029134	0	42	0.0	-68.18	342.91	11.52	-56.66
CN1C=C(C2=CC=CC(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)=C2)C=N1	REAL300012029135	0	49	0.0	-70.91	402.28	12.22	-58.69
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CC1=CC=C(Br)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029137	0	42	0.0	-70.55	358.29	12.17	-58.38
COC1=C(C#N)C=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029138	0	44	0.0	-67.63	371.79	10.79	-56.84
COC1=NC2=CC=C(C[NH2+]CC3=CC=CC4=CC=C(C(=O)[O-])C=C43)C=C2S1	REAL300012029139	0	45	0.0	-74.57	386.56	8.75	-65.82
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O=C([O-])C1=CC2=C(C[NH2+]CC3=CC(F)=CC(Cl)=C3Cl)C=CC=C2C=C1	REAL300012029141	0	39	0.0	-64.02	356.43	11.90	-52.12
CC1=NC(Cl)=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029142	0	41	0.0	-72.41	348.95	10.16	-62.25
CC(C)(C)COC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029143	0	55	0.0	-65.84	433.94	13.27	-52.57
COC1=CC(Cl)=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029144	0	43	0.0	-70.63	368.38	10.74	-59.89
COC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CC(F)=C1F	REAL300012029145	0	43	0.0	-82.49	364.18	10.36	-72.13
COC1=CC(C)=NC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029146	0	45	0.0	-65.26	367.40	9.14	-56.12
CC(C)N1C=NC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029147	0	45	0.0	-70.52	365.64	11.50	-59.02
CN1N=CC=C1C1=NNC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029148	0	46	0.0	-64.99	383.76	8.58	-56.41
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C2CC2)=NO1	REAL300012029149	0	45	0.0	-74.04	371.41	11.33	-62.71
COC(=O)C1=C(C)NC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1C	REAL300012029150	0	49	0.0	-73.67	405.84	10.61	-63.06
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)O1	REAL300012029151	0	46	0.0	-70.60	378.07	11.17	-59.43
CC1=CC(Br)=CC(C)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029152	0	45	0.0	-68.85	376.62	12.61	-56.24
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(Cl)C=CC4=C3OCO4)C=CC=C2C=C1	REAL300012029153	1	42	0.0	-61.76	362.22	10.00	-51.76
N#CC1=CC(F)=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029154	0	40	0.0	-80.57	349.42	11.38	-69.19
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4CCCCC4)C=C3)C=CC=C2C=C1	REAL300012029155	0	55	0.0	-66.68	424.00	14.74	-51.94
COC1=CC=CC=C1C=CC[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029156	0	47	0.0	-65.38	381.57	11.59	-53.79
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)SC(Br)=C1	REAL300012029157	0	39	0.0	-70.71	352.44	11.30	-59.41
CC1=NN(C2CCC2)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029158	0	49	0.0	-67.31	389.90	11.30	-56.01
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=NN1CC(F)F	REAL300012029159	0	45	0.0	-77.67	376.71	10.35	-67.32
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=CC=CC=N4)N=C3)C=CC=C2C=C1	REAL300012029160	0	47	0.0	-75.81	391.33	11.27	-64.54
CCCN1N=C(C)C(Cl)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029161	0	48	0.0	-74.37	404.55	11.20	-63.17
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029162	0	46	0.0	-73.55	385.46	10.17	-63.38
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(CC4=CC=CC=C4)C=C3)C=CC=C2C=C1	REAL300012029163	0	52	0.0	-68.43	424.94	15.39	-53.04
CCCCC(=O)NC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012029164	0	55	0.0	-69.76	441.81	12.19	-57.57
COC1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=N1	REAL300012029165	0	45	0.0	-71.50	364.26	8.23	-63.27
CCN(C)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C)=C1	REAL300012029166	0	53	0.0	-65.65	410.27	12.90	-52.75
O=C([O-])C1=CC2=C(C[NH2+]CC3=C(Cl)C(Cl)=CS3)C=CC=C2C=C1	REAL300012029167	0	36	0.0	-61.92	343.59	10.97	-50.95
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029168	0	60	0.0	-64.01	451.99	13.17	-50.84
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=NS1	REAL300012029169	0	38	0.0	-73.79	324.90	9.36	-64.43
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029170	0	50	0.0	-58.48	399.88	10.31	-48.17
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(CF)C=C3)C=CC=C2C=C1	REAL300012029171	0	42	0.0	-69.47	350.13	11.75	-57.72
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C4SC=CC4=C3)C=CC=C2C=C1	REAL300012029172	0	42	0.0	-71.67	359.08	12.31	-59.36
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3)C=CC=C2C=C1	REAL300012029173	0	48	0.0	-72.67	391.57	12.60	-60.07
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC=C3CO)C=CC=C2C=C1	REAL300012029174	0	43	0.0	-70.21	346.33	8.38	-61.83
CC1=NSC(C)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029175	0	41	0.0	-73.35	344.71	9.76	-63.59
CC(C)(C)C1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=NO1	REAL300012029176	0	47	0.0	-71.11	365.41	10.99	-60.12
CC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1C(F)(F)F	REAL300012029177	0	45	0.0	-56.76	364.62	12.43	-44.33
C=CCN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=N1	REAL300012029178	0	43	0.0	-67.04	359.30	10.15	-56.89
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=NNC=C4C=C3)C=CC=C2C=C1	REAL300012029179	0	42	0.0	-69.32	348.39	9.65	-59.67
CCC(C)C1=CC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=C1	REAL300012029180	0	51	0.0	-66.64	400.82	13.51	-53.13
O=C([O-])C1=CC2=C(C[NH2+]CC3=C4SC(C(F)F)=NC4=CC=C3)C=CC=C2C=C1	REAL300012029181	0	44	0.0	-65.39	387.90	11.28	-54.11
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC4=C(CCOC4)N=C3Cl)C=CC=C2C=C1	REAL300012029182	0	46	0.0	-77.07	383.08	9.59	-67.48
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029183	0	52	0.0	-78.45	421.62	13.46	-64.99
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300012029184	0	44	0.0	-75.83	371.26	10.88	-64.95
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC4=C3CCCC4)C=CC=C2C=C1	REAL300012029185	0	49	0.0	-67.19	377.53	13.29	-53.90
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029186	0	46	0.0	-72.53	382.64	12.83	-59.70
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=CC(C(F)(F)F)=C3F)C=CC=C2C=C1	REAL300012029187	0	42	0.0	-63.55	365.63	11.96	-51.59
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(N4C=CN=N4)C=C3)C=CC=C2C=C1	REAL300012029188	0	45	0.0	-76.32	374.52	10.84	-65.48
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C=CC2=CC=CC=C21	REAL300012029189	0	48	0.0	-69.34	379.13	13.69	-55.65
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029190	0	57	0.0	-66.68	447.35	12.58	-54.10
COC1=C2C=CNC2=CC=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029191	0	47	0.0	-62.76	383.04	10.35	-52.41
CC1=NC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C(C)S1	REAL300012029192	0	41	0.0	-59.97	347.63	9.34	-50.63
O=C([O-])C1=CC2=C(C[NH2+]CC3=CC=C(N4CCC(O)C4)C=C3)C=CC=C2C=C1	REAL300012029193	0	52	0.0	-70.87	409.75	7.94	-62.93
COC1=CC=C(OC)C(OC)=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029194	0	51	0.0	-65.93	409.28	9.53	-56.40
CCCN1N=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1C	REAL300012029195	0	48	0.0	-72.59	386.83	10.79	-61.80
CC1=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C2=NC=CC=C2C=C1	REAL300012029196	0	47	0.0	-67.78	377.90	12.01	-55.77
CC1=CC(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=CN=C1N1C=CC=N1	REAL300012029197	0	48	0.0	-78.16	394.72	12.24	-65.92
COC(=O)C1=CN(C)C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)=C1	REAL300012029198	0	46	0.0	-68.64	384.07	11.05	-57.59
CCCN1N=C(C)C=C1C[NH2+]CC1=CC=CC2=CC=C(C(=O)[O-])C=C21	REAL300012029199	0	48	0.0	-68.37	380.47	10.61	-57.76
CN1C=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)C(C2CCC2)=N1	REAL300012029200	0	49	0.0	-69.00	393.35	11.35	-57.65
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC3=CC=C(C(=O)[O-])C=C32)O1	REAL300012029201	0	47	0.0	-71.26	381.36	8.43	-62.83
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=C1	REAL300012029202	0	49	0.0	-91.99	391.69	13.50	-78.49
CC1=CC=C(C)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029203	0	49	0.0	-92.13	391.69	13.50	-78.63
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O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3CC4C=CC3C4)=C2)=C1	REAL300012029205	0	48	0.0	-92.93	372.66	12.76	-80.17
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CC(C)(C)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029207	0	55	0.0	-92.35	431.65	14.54	-77.81
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CNN=C3C3=CC=CC=C3)=C2)=C1	REAL300012029208	0	50	0.0	-96.64	411.91	12.07	-84.57
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(Br)O3)=C2)=C1	REAL300012029209	0	40	0.0	-96.32	357.89	11.08	-85.24
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029210	0	53	0.0	-100.73	433.92	14.02	-86.71
CCOC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC=C1OC	REAL300012029211	0	54	0.0	-100.78	436.05	12.33	-88.45
CC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1C	REAL300012029212	0	49	0.0	-92.11	387.95	13.41	-78.70
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1C	REAL300012029213	0	49	0.0	-92.55	393.86	13.42	-79.13
CC(C)OC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029214	0	53	0.0	-87.24	423.32	13.14	-74.10
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(CC4=CC=CC=C4)N=C3)=C2)=C1	REAL300012029215	0	53	0.0	-97.80	439.69	13.88	-83.92
CCC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C2=CC=CC=C2O1	REAL300012029216	0	52	0.0	-98.20	425.21	14.12	-84.08
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(Cl)=C1	REAL300012029217	0	47	0.0	-92.08	397.63	11.94	-80.14
N#CC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029218	0	44	0.0	-104.29	376.30	12.60	-91.69
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029219	0	53	0.0	-96.50	433.31	12.74	-83.76
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CNN=C3C3=CC=CS3)=C2)=C1	REAL300012029220	0	47	0.0	-93.57	399.19	11.34	-82.23
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CSC4=CC=CC=C34)=C2)=C1	REAL300012029221	0	46	0.0	-97.44	392.34	13.59	-83.85
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CC=CC=C4OC3)=C2)=C1	REAL300012029222	0	49	0.0	-98.11	401.51	12.70	-85.41
CC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)O2)C=C1	REAL300012029223	0	53	0.0	-95.31	437.10	14.78	-80.53
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300012029224	0	50	0.0	-94.30	416.51	11.33	-82.97
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CNN=C3C3=CC=CN=C3)=C2)=C1	REAL300012029225	0	49	0.0	-101.36	406.38	10.33	-91.03
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(Cl)S3)=C2)=C1	REAL300012029226	0	40	0.0	-95.98	362.71	11.94	-84.04
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC4=CC=CN=C43)=C2)=C1	REAL300012029227	0	48	0.0	-87.77	395.23	12.75	-75.02
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029228	0	52	0.0	-96.79	426.34	11.22	-85.57
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(N4C=CC=N4)C=C3)=C2)=C1	REAL300012029229	0	50	0.0	-102.74	413.80	13.42	-89.32
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(N4C=NC=N4)C=C3)=C2)=C1	REAL300012029230	0	49	0.0	-106.07	408.74	14.74	-91.33
CCC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300012029231	0	46	0.0	-92.21	379.59	11.96	-80.25
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(F)=CC=C3F)=C2)=C1	REAL300012029232	0	43	0.0	-93.39	367.42	12.31	-81.08
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(F)C=C3Cl)=C2)=C1	REAL300012029233	0	43	0.0	-94.64	374.55	12.72	-81.92
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(F)C(Cl)=C3)=C2)=C1	REAL300012029234	0	43	0.0	-103.33	378.04	12.77	-90.56
CCOC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029235	0	50	0.0	-94.09	406.80	12.44	-81.65
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1F	REAL300012029236	0	46	0.0	-97.71	382.17	12.92	-84.79
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(Cl)=CC=C3Cl)=C2)=C1	REAL300012029237	0	43	0.0	-90.87	384.87	13.16	-77.71
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(F)=C(F)C(F)=C3)=C2)=C1	REAL300012029238	0	43	0.0	-110.33	374.45	12.40	-97.93
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CC=CC=C4S3)=C2)=C1	REAL300012029239	0	46	0.0	-94.90	392.83	13.76	-81.14
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(Cl)C(F)=C3)=C2)=C1	REAL300012029240	0	43	0.0	-103.42	378.04	12.78	-90.64
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CN=C3Cl)=C2)=C1	REAL300012029241	0	42	0.0	-93.69	362.37	10.85	-82.84
CC(C)C1=NN(C)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029242	0	52	0.0	-97.54	420.66	11.85	-85.69
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029243	1	52	0.0	-93.34	435.55	12.16	-81.18
COCCOC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029244	0	54	0.0	-95.20	440.43	11.71	-83.49
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1Cl	REAL300012029245	0	47	0.0	-99.86	400.98	12.06	-87.80
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029246	0	55	0.0	-99.80	436.83	13.78	-86.02
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3OCCO4)=C2)=C1	REAL300012029247	0	49	0.0	-92.26	398.31	11.44	-80.82
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3OCCCO4)=C2)=C1	REAL300012029248	0	52	0.0	-93.85	417.06	12.19	-81.66
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029249	0	55	0.0	-99.91	446.01	14.24	-85.67
CCCOC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029250	0	53	0.0	-93.98	428.30	13.24	-80.74
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=CS3)=C2)=C1	REAL300012029251	0	50	0.0	-95.18	421.49	14.79	-80.39
CC(C)OC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029252	0	53	0.0	-93.73	424.73	13.06	-80.67
CC(C)C1=NC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CS1	REAL300012029253	1	48	0.0	-89.64	403.22	11.25	-78.39
CC(C)(C)C1=NC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CS1	REAL300012029254	1	51	0.0	-89.37	422.15	11.76	-77.61
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)OC=C1	REAL300012029255	0	43	0.0	-92.41	356.74	10.97	-81.44
CC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CN=C1Cl	REAL300012029256	0	45	0.0	-103.81	385.95	11.44	-92.37
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)=C2)=C1	REAL300012029257	0	48	0.0	-93.27	400.84	12.79	-80.48
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)=C2)=C1	REAL300012029258	0	48	0.0	-90.69	401.61	12.82	-77.87
COC1=CC=C2OC(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)=CC2=C1	REAL300012029259	0	50	0.0	-98.99	412.80	12.02	-86.97
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC=CC3=CC=C(Cl)C=C3)=C2)=C1	REAL300012029260	0	47	0.0	-97.05	403.21	14.03	-83.02
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C2=CC=CC=C2O1	REAL300012029261	0	49	0.0	-97.88	403.72	13.35	-84.53
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=COC4=CC=CC=C34)=C2)=C1	REAL300012029262	0	46	0.0	-97.77	383.36	12.59	-85.18
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(OC4=CC=CC=C4)O3)=C2)=C1	REAL300012029263	0	51	0.0	-99.81	422.21	13.97	-85.84
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N=C1	REAL300012029264	0	45	0.0	-90.50	371.86	11.04	-79.46
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC=CC3=CC=C(F)C=C3F)=C2)=C1	REAL300012029265	0	47	0.0	-98.48	398.40	13.61	-84.87
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)=C2)=C1	REAL300012029266	1	50	0.0	-93.85	414.34	13.34	-80.51
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(Cl)SC=C3)=C2)=C1	REAL300012029267	0	40	0.0	-88.91	359.68	11.76	-77.15
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(Cl)=CC4=C3OCC4)=C2)=C1	REAL300012029268	0	48	0.0	-91.12	407.93	12.57	-78.55
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)=C2)=C1	REAL300012029269	0	47	0.0	-101.97	393.84	12.23	-89.74
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)=C2)=C1	REAL300012029270	0	47	0.0	-102.84	393.74	12.22	-90.62
CCOC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029271	0	49	0.0	-94.55	404.47	9.81	-84.74
CC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC2=CC=CN=C12	REAL300012029272	0	51	0.0	-102.48	416.69	13.41	-89.07
CC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC=C1Cl	REAL300012029273	0	46	0.0	-98.20	390.91	13.31	-84.89
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=C4C=CSC4=C3)=C2)=C1	REAL300012029274	0	45	0.0	-102.15	387.32	11.69	-90.46
CCCC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029275	0	52	0.0	-92.85	419.83	14.42	-78.43
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1C#N	REAL300012029276	0	48	0.0	-108.87	405.16	11.92	-96.95
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(SC(F)F)C=C3)=C2)=C1	REAL300012029277	0	47	0.0	-98.11	405.26	13.48	-84.63
CC1=CC(Cl)=CC(C)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029278	0	49	0.0	-97.58	405.34	13.78	-83.80
CCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N=C1	REAL300012029279	0	49	0.0	-93.25	401.86	10.59	-82.66
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029280	0	49	0.0	-100.62	409.02	13.83	-86.79
C=CCOC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029281	0	51	0.0	-94.29	419.71	13.02	-81.27
CC1=CC(C)=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1C	REAL300012029282	0	52	0.0	-92.28	409.96	13.98	-78.30
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4)S3)=C2)=C1	REAL300012029283	0	50	0.0	-94.40	423.30	14.99	-79.41
CC(C)(C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)C1=CC=CC=C1	REAL300012029284	0	52	0.0	-92.93	403.51	13.93	-79.00
CC1CCC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300012029285	0	52	0.0	-91.24	390.26	12.95	-78.29
CC(CCC1=CC=CC=C1)C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029286	0	55	0.0	-91.28	434.47	15.10	-76.18
CCC1CCCC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300012029287	0	55	0.0	-90.77	408.50	13.54	-77.23
CCC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029288	0	49	0.0	-86.90	404.98	13.87	-73.03
CC1=C(C)C=C2OC(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)=CC2=C1	REAL300012029289	0	52	0.0	-96.61	421.62	13.94	-82.67
CCCC1CCC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300012029290	0	58	0.0	-90.65	437.03	14.57	-76.08
CC1CCCCC1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029291	0	52	0.0	-90.74	393.44	13.02	-77.72
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(N4C=CN=C4)C=C3)=C2)=C1	REAL300012029292	0	50	0.0	-104.39	411.40	14.60	-89.79
COC1=CC=C(C)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029293	0	50	0.0	-87.81	405.00	12.24	-75.57
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1F	REAL300012029294	0	47	0.0	-102.11	391.17	11.59	-90.52
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3CCC(C(F)(F)F)CC3)=C2)=C1	REAL300012029295	0	52	0.0	-94.25	406.81	13.24	-81.01
CC(C)C1CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CCO1	REAL300012029296	0	56	0.0	-94.08	426.57	12.27	-81.81
CC1(C)CCC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300012029297	0	55	0.0	-91.53	410.44	13.44	-78.09
CCSC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029298	0	50	0.0	-94.23	417.13	14.07	-80.16
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(O)C=CC(Cl)=C3F)=C2)=C1	REAL300012029299	1	44	0.0	-93.92	386.61	9.95	-83.97
COC1(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CCCCC1	REAL300012029300	0	53	0.0	-90.76	398.71	11.59	-79.17
CCN1N=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C2=CC=CC=C21	REAL300012029301	0	52	0.0	-95.20	427.21	13.00	-82.20
COCCC1(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CCCCC1	REAL300012029302	0	59	0.0	-91.64	433.42	12.47	-79.17
CCCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029303	0	53	0.0	-95.84	428.30	13.24	-82.60
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CC=CC=C4O3)=C2)=C1	REAL300012029304	0	46	0.0	-96.72	383.33	12.74	-83.98
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4)O3)=C2)=C1	REAL300012029305	0	50	0.0	-95.43	415.70	14.10	-81.33
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1[N+](=O)[O-]	REAL300012029306	0	48	0.0	-107.79	399.65	13.41	-94.38
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029307	0	53	0.0	-95.67	424.72	13.06	-82.61
CC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC=C1F	REAL300012029308	0	46	0.0	-99.80	382.17	12.91	-86.89
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C4NC=CC4=CC=C3)=C2)=C1	REAL300012029309	0	47	0.0	-96.56	386.81	12.22	-84.34
CC(C)CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029310	0	55	0.0	-92.24	436.59	14.90	-77.34
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1[N+](=O)[O-]	REAL300012029311	0	49	0.0	-112.88	410.97	12.95	-99.93
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)=C2)=C1	REAL300012029312	0	43	0.0	-99.87	388.91	13.22	-86.65
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(F)=CC(Cl)=C3)=C2)=C1	REAL300012029313	0	43	0.0	-101.02	378.59	12.79	-88.23
CC1=CC=CC(C)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029314	0	49	0.0	-92.39	388.61	13.28	-79.11
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(Br)=CO3)=C2)=C1	REAL300012029315	0	40	0.0	-95.93	357.91	10.99	-84.94
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(OC(F)F)=C3)=C2)=C1	REAL300012029316	0	47	0.0	-98.99	394.70	11.79	-87.20
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(Cl)C=C3F)=C2)=C1	REAL300012029317	0	43	0.0	-95.33	377.74	12.76	-82.57
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(Cl)=CC=C3F)=C2)=C1	REAL300012029318	0	43	0.0	-92.54	377.74	12.75	-79.79
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(F)=CC(F)=C3)=C2)=C1	REAL300012029319	0	43	0.0	-102.13	368.27	12.35	-89.78
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(Cl)=C3F)=C2)=C1	REAL300012029320	0	43	0.0	-94.43	376.19	12.76	-81.67
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C2=CC=CC=C12	REAL300012029321	0	53	0.0	-98.98	424.77	13.70	-85.28
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(C4=CC=CC=C4)C=NN3)=C2)=C1	REAL300012029322	0	50	0.0	-96.65	413.52	12.13	-84.52
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NNC=C3C3=CC=CC=C3)=C2)=C1	REAL300012029322	1	50	0.0	-88.35	413.84	12.17	-76.18
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(F)=C3F)=C2)=C1	REAL300012029323	0	43	0.0	-95.72	366.30	12.32	-83.40
CN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029324	0	49	0.0	-100.63	401.86	12.55	-88.08
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300012029325	0	46	0.0	-100.77	382.49	8.90	-91.87
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C4OCCC4=C3)=C2)=C1	REAL300012029326	0	48	0.0	-98.43	391.34	12.05	-86.38
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(C4=CC=CC=C4)=C3)=C2)=C1	REAL300012029327	0	53	0.0	-97.01	429.66	15.62	-81.39
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)=C2)=C1	REAL300012029328	0	54	0.0	-98.54	429.37	12.12	-86.42
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C4C=CNC4=CC=C3)=C2)=C1	REAL300012029329	0	47	0.0	-92.20	386.62	12.23	-79.97
CC1=CC(F)=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029330	0	46	0.0	-98.64	376.68	12.91	-85.73
CC1=NC(C)=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029331	0	45	0.0	-95.13	381.31	10.68	-84.45
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(C4=CC=CC=N4)=C3)=C2)=C1	REAL300012029332	0	52	0.0	-94.41	427.11	14.10	-80.31
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)=C2)=C1	REAL300012029333	0	52	0.0	-98.50	424.67	13.85	-84.65
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)=C2)=C1	REAL300012029334	0	52	0.0	-101.31	424.87	13.87	-87.44
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029335	0	58	0.0	-96.16	449.44	12.76	-83.40
CNC(=O)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029336	0	50	0.0	-106.26	411.92	10.49	-95.77
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CC=CC=C4C=C3)=C2)=C1	REAL300012029337	0	49	0.0	-96.79	401.56	14.47	-82.32
COC1=C2OC(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)=CC2=CC=C1	REAL300012029338	0	50	0.0	-98.48	412.83	12.03	-86.45
COC1=CC(OC)=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029339	0	51	0.0	-95.39	414.45	10.82	-84.57
COC1=CC2=CC=C(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)C=C2C=C1	REAL300012029340	0	53	0.0	-100.27	430.90	13.76	-86.51
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CC=CC=C4NC3=O)=C2)=C1	REAL300012029342	0	49	0.0	-93.22	405.80	11.26	-81.96
COC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC=C1SC	REAL300012029343	0	51	0.0	-100.87	424.36	12.56	-88.31
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NN3)=C2)=C1	REAL300012029344	0	50	0.0	-103.87	414.85	12.14	-91.73
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(C4=CC=CC=C4)N=N3)=C2)=C1	REAL300012029345	1	49	0.0	-99.92	408.35	12.04	-87.88
CN1C=NC2=CC(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)=CC=C21	REAL300012029346	0	49	0.0	-98.94	403.83	13.55	-85.39
CCN1N=C(C)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1C	REAL300012029347	0	52	0.0	-96.82	418.12	11.82	-85.00
CC1(C)CC2=CC(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)=CC=C2O1	REAL300012029348	0	54	0.0	-98.07	432.86	13.46	-84.61
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)=C2)=C1	REAL300012029349	1	49	0.0	-95.04	412.11	10.65	-84.39
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029350	0	53	0.0	-96.58	433.32	12.74	-83.84
CC1=CC=C(F)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029351	0	46	0.0	-89.49	381.37	12.93	-76.56
CC1=CC=C(F)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029352	0	46	0.0	-96.43	376.68	12.91	-83.52
CC1=NC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029353	0	45	0.0	-97.36	365.35	11.02	-86.34
CC(C)COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029354	0	56	0.0	-95.47	448.40	13.94	-81.53
COCCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029355	0	54	0.0	-97.70	440.43	11.71	-85.99
CC1(C)CCCC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300012029356	0	55	0.0	-91.39	410.43	13.44	-77.95
CC1=CCCC(C)C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029357	0	53	0.0	-89.11	399.35	13.59	-75.52
COC1=CC2=C(C=C1C[NH2+]CC1=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C1)OCO2	REAL300012029358	0	50	0.0	-94.91	409.60	10.23	-84.68
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=CC4=CC=CC=C43)=C2)=C1	REAL300012029359	0	48	0.0	-97.41	391.88	12.58	-84.83
CC(C)COC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029360	0	56	0.0	-93.75	448.41	13.93	-79.82
CC1=CC(Cl)=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029361	0	46	0.0	-97.30	387.00	13.34	-83.96
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC=CC3=CC=C(F)C=C3)=C2)=C1	REAL300012029362	0	47	0.0	-98.11	392.90	13.58	-84.53
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(Cl)N=C3)=C2)=C1	REAL300012029363	0	42	0.0	-103.91	367.15	10.85	-93.06
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=CC(Br)=C3)=C2)=C1	REAL300012029364	0	42	0.0	-100.68	371.61	11.03	-89.65
CN1N=NC2=CC(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)=CC=C21	REAL300012029365	0	48	0.0	-107.41	399.43	10.66	-96.75
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3CCCCCC3)=C2)=C1	REAL300012029366	0	52	0.0	-90.86	387.56	13.01	-77.85
CC1(C)CC2=CC=CC(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)=C2O1	REAL300012029367	0	54	0.0	-87.87	432.66	13.43	-74.44
COC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029368	0	46	0.0	-94.55	382.62	8.88	-85.67
CN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C2=CC=CC=C2)=N1	REAL300012029369	0	53	0.0	-96.14	434.88	13.38	-82.76
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)=C2)=C1	REAL300012029370	0	50	0.0	-96.67	413.80	13.41	-83.26
CC(C)N1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300012029371	0	49	0.0	-95.72	398.48	11.41	-84.31
CC1=NC2=CC=C(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)C=C2C=C1	REAL300012029372	0	51	0.0	-102.94	418.15	13.19	-89.75
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NC=CC=C3C(F)(F)F)=C2)=C1	REAL300012029373	0	45	0.0	-84.31	379.36	11.28	-73.03
CC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC=C1N1C=NC=N1	REAL300012029374	0	52	0.0	-106.06	429.74	15.75	-90.31
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)=C2)=C1	REAL300012029375	0	46	0.0	-100.09	389.74	12.81	-87.28
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(OCC(F)F)C=C3)=C2)=C1	REAL300012029376	0	50	0.0	-100.89	419.81	12.76	-88.13
COCC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029377	0	50	0.0	-94.88	410.51	11.93	-82.95
CCCCOC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029378	0	56	0.0	-87.56	448.40	14.09	-73.47
COC1=CC(C)=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1OC	REAL300012029379	0	54	0.0	-99.60	428.94	12.04	-87.56
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CNN=C3C3=CSC=C3)=C2)=C1	REAL300012029380	0	47	0.0	-96.38	402.36	11.09	-85.29
CC1CCC2=C(C1)SC(C[NH2+]CC1=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C1)=N2	REAL300012029381	1	52	0.0	-91.29	424.79	12.57	-78.72
CC(C)(C)C1CCC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300012029382	0	61	0.0	-91.68	438.23	14.31	-77.37
CC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C(C)O1	REAL300012029383	0	46	0.0	-92.95	377.28	11.83	-81.12
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(OCC4CC4)C=C3)=C2)=C1	REAL300012029384	0	54	0.0	-96.15	438.48	14.02	-82.13
CC(C)CC1=NC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029385	0	51	0.0	-94.20	423.29	12.40	-81.80
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(Cl)OC4=CC=CC=C43)=C2)=C1	REAL300012029386	0	46	0.0	-94.60	399.57	13.17	-81.43
COCCOC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029387	0	54	0.0	-87.47	439.03	11.78	-75.69
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NC4=C(CCC4)S3)=C2)=C1	REAL300012029388	0	46	0.0	-92.18	386.08	11.38	-80.80
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029389	0	47	0.0	-96.19	384.95	11.51	-84.68
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300012029390	0	43	0.0	-92.32	358.11	11.17	-81.15
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC=C3)=C2)=C1	REAL300012029391	0	43	0.0	-92.69	355.44	12.21	-80.48
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029392	0	51	0.0	-94.11	422.29	12.00	-82.11
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C4OCCOC4=C3)=C2)=C1	REAL300012029393	0	49	0.0	-98.51	399.95	11.37	-87.14
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(Br)=C3)=C2)=C1	REAL300012029394	0	43	0.0	-96.59	376.74	12.83	-83.76
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(Cl)=C3)=C2)=C1	REAL300012029395	0	43	0.0	-96.55	372.17	12.72	-83.83
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(C4=CC=CC=C4)N=C3)=C2)=C1	REAL300012029396	0	50	0.0	-100.27	414.28	13.42	-86.85
CC(C)(C)N1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300012029397	0	52	0.0	-95.20	418.21	12.03	-83.17
CC1=CC(C)=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029398	0	49	0.0	-92.93	398.26	13.53	-79.40
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(CO)O3)=C2)=C1	REAL300012029399	0	44	0.0	-95.49	369.52	7.83	-87.66
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CS3)=C2)=C1	REAL300012029400	0	40	0.0	-91.09	345.67	11.32	-79.77
CC(=O)NC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029401	0	50	0.0	-99.51	411.53	11.10	-88.41
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC=C3Cl)=C2)=C1	REAL300012029402	0	43	0.0	-87.64	367.33	12.69	-74.95
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC([N+](=O)[O-])=C3)=C2)=C1	REAL300012029403	0	45	0.0	-108.85	383.66	12.88	-95.97
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C([N+](=O)[O-])C=C3)=C2)=C1	REAL300012029404	0	45	0.0	-112.41	383.66	12.88	-99.53
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC4=CC=CC=C43)=C2)=C1	REAL300012029405	0	49	0.0	-96.00	396.43	14.35	-81.65
CN(C)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029406	0	51	0.0	-92.18	406.95	12.62	-79.56
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029407	0	57	0.0	-91.12	450.57	14.52	-76.60
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(Br)C=C3)=C2)=C1	REAL300012029408	0	43	0.0	-98.50	376.74	12.84	-85.66
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(Cl)C=C3)=C2)=C1	REAL300012029409	0	43	0.0	-98.26	372.17	12.73	-85.53
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(F)C=CC=C3Cl)=C2)=C1	REAL300012029410	1	43	0.0	-84.51	374.81	12.64	-71.87
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(F)C=C3)=C2)=C1	REAL300012029411	0	43	0.0	-99.58	361.85	12.28	-87.30
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC=C3OC(F)F)=C2)=C1	REAL300012029412	0	47	0.0	-94.15	393.31	11.86	-82.29
COC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1OC	REAL300012029413	0	51	0.0	-92.23	414.18	11.48	-80.75
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(Cl)C=C3Cl)=C2)=C1	REAL300012029414	0	43	0.0	-93.58	384.87	13.16	-80.42
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1OC	REAL300012029415	0	51	0.0	-100.66	414.19	11.41	-89.25
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(OC)=C1	REAL300012029416	0	51	0.0	-91.02	413.05	10.87	-80.15
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3)=C2)=C1	REAL300012029417	0	46	0.0	-101.74	394.17	13.21	-88.53
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(F)C=C3F)=C2)=C1	REAL300012029418	0	43	0.0	-96.37	367.42	12.31	-84.06
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(Cl)=C3Cl)=C2)=C1	REAL300012029419	0	43	0.0	-92.26	382.51	13.15	-79.11
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(Cl)C(Cl)=C3)=C2)=C1	REAL300012029420	0	43	0.0	-102.02	387.36	13.18	-88.84
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3CC=CCC3)=C2)=C1	REAL300012029421	0	47	0.0	-92.49	368.81	12.46	-80.03
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(OC(F)F)C=C3)=C2)=C1	REAL300012029422	0	47	0.0	-98.30	394.70	11.79	-86.51
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC=C3C(F)(F)F)=C2)=C1	REAL300012029423	0	46	0.0	-91.92	383.98	13.30	-78.62
CCCCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029424	0	56	0.0	-95.83	449.80	14.02	-81.81
COC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029425	0	47	0.0	-94.35	384.95	11.51	-82.84
CC(=CC1=CC=CC=C1)C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029426	0	50	0.0	-93.79	403.63	13.99	-79.80
CCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1OC	REAL300012029427	0	54	0.0	-100.54	436.05	12.33	-88.21
CC(C)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029428	0	52	0.0	-92.52	415.67	14.14	-78.38
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(C(F)(F)F)=C3)=C2)=C1	REAL300012029429	0	46	0.0	-99.47	394.16	13.20	-86.27
CCOC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029430	0	50	0.0	-87.32	405.45	12.51	-74.81
CCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029431	0	50	0.0	-96.00	406.80	12.44	-83.56
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC=C3F)=C2)=C1	REAL300012029432	0	43	0.0	-89.61	360.00	12.26	-77.35
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(F)=C3)=C2)=C1	REAL300012029433	0	43	0.0	-97.75	361.85	12.28	-85.47
COC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029434	0	47	0.0	-87.82	383.55	11.58	-76.24
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)SC=C1	REAL300012029435	0	43	0.0	-90.60	364.16	11.89	-78.71
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4)C=C3)=C2)=C1	REAL300012029436	0	53	0.0	-96.34	429.66	15.63	-80.71
CC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029437	0	46	0.0	-92.04	370.28	12.84	-79.20
COC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C2=CC=CC=C2C=C1	REAL300012029438	0	53	0.0	-88.58	425.82	13.69	-74.89
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029439	0	46	0.0	-92.64	376.85	12.89	-79.75
N#CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029440	0	44	0.0	-106.33	376.30	12.61	-93.72
CSC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029441	0	47	0.0	-96.83	395.66	13.24	-83.59
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(Cl)C=CC=C3Cl)=C2)=C1	REAL300012029442	1	43	0.0	-83.05	383.54	13.03	-70.02
CC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029443	0	46	0.0	-92.79	376.85	12.88	-79.91
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CSC=C3)=C2)=C1	REAL300012029444	0	40	0.0	-92.97	345.43	11.16	-81.81
CCC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029445	0	49	0.0	-92.60	398.33	13.65	-78.95
CC1=CC(C)=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=C1	REAL300012029446	0	52	0.0	-92.34	410.03	13.94	-78.40
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(F)C=CC=C3F)=C2)=C1	REAL300012029447	1	43	0.0	-85.77	366.07	12.25	-73.52
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(F)C(F)=C3)=C2)=C1	REAL300012029448	0	43	0.0	-105.19	368.15	12.33	-92.86
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029449	0	43	0.0	-90.82	367.55	12.12	-78.70
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC=C3Br)=C2)=C1	REAL300012029450	0	43	0.0	-86.88	370.88	12.80	-74.08
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1O	REAL300012029451	0	48	0.0	-99.48	395.71	9.35	-90.13
CC1=NN(C)C(C)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029452	0	49	0.0	-97.20	397.33	10.99	-86.21
CC1=NN(C)C(Cl)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029453	1	46	0.0	-93.68	393.59	10.85	-82.83
CCC1=NN(C)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029454	0	49	0.0	-97.60	399.39	11.35	-86.25
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(CC(F)(F)F)N=C3)=C2)=C1	REAL300012029455	0	46	0.0	-102.24	397.67	11.38	-90.86
CN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C(C)(C)C)=N1	REAL300012029456	0	55	0.0	-94.90	424.44	12.40	-82.50
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CN=C3)=C2)=C1	REAL300012029457	0	42	0.0	-97.47	350.27	10.43	-87.04
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CO3)=C2)=C1	REAL300012029458	0	40	0.0	-92.42	336.19	10.35	-82.07
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=NC=C3)=C2)=C1	REAL300012029459	0	42	0.0	-99.50	350.32	10.44	-89.06
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(Cl)O3)=C2)=C1	REAL300012029460	0	40	0.0	-96.43	353.26	10.97	-85.46
CN(CCC#N)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029461	0	55	0.0	-97.29	449.62	14.07	-83.22
CCOC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1OC	REAL300012029462	0	54	0.0	-91.95	436.08	12.39	-79.56
C#CCOC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029463	0	49	0.0	-87.70	411.19	13.05	-74.65
CC1=NOC(C)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029464	0	45	0.0	-101.07	372.72	11.00	-90.07
CC1=NC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CS1	REAL300012029465	1	42	0.0	-89.81	362.01	9.93	-79.88
COC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC2=C1OCO2	REAL300012029466	0	50	0.0	-106.51	411.04	10.15	-96.36
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NN(C4=CC=CC=C4)N=C3)=C2)=C1	REAL300012029467	1	49	0.0	-98.38	409.88	12.00	-86.38
CN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300012029468	0	43	0.0	-96.59	358.26	10.02	-86.57
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1C	REAL300012029469	0	50	0.0	-96.09	405.02	12.26	-83.83
CC(C)(C)C1=NNC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029470	0	52	0.0	-96.56	403.98	10.99	-85.57
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NC=CN3)=C2)=C1	REAL300012029471	1	40	0.0	-95.43	334.87	8.94	-86.49
COC1=CC=CC(OC)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029472	0	51	0.0	-82.31	411.76	10.93	-71.38
CN1C=CN=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029473	1	43	0.0	-95.70	355.96	10.60	-85.10
COC1=CC=C(F)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029474	0	47	0.0	-90.22	389.45	11.55	-78.67
CSC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029475	0	44	0.0	-94.22	388.96	12.54	-81.68
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3OCO4)=C2)=C1	REAL300012029476	0	46	0.0	-94.06	381.46	10.86	-83.20
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=CN=C3)=C2)=C1	REAL300012029477	0	41	0.0	-101.80	345.08	10.22	-91.58
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(Cl)C=CS3)=C2)=C1	REAL300012029478	0	40	0.0	-88.03	360.95	11.76	-76.27
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029479	0	49	0.0	-107.33	416.14	9.74	-97.59
COC1=CC=C(F)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029480	0	47	0.0	-91.50	389.99	11.65	-79.85
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NNC=C3)=C2)=C1	REAL300012029481	1	40	0.0	-90.93	335.35	8.62	-82.31
NC(=O)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029482	0	47	0.0	-105.98	389.99	9.00	-96.98
COC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC=C1F	REAL300012029483	0	47	0.0	-104.44	391.18	11.58	-92.86
COC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029484	0	47	0.0	-90.40	400.32	12.09	-78.31
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=CS3)=C2)=C1	REAL300012029485	0	39	0.0	-95.14	340.20	9.46	-85.68
CN1C=NC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029486	0	43	0.0	-98.86	355.59	11.35	-87.51
COC(=O)C1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CN1C	REAL300012029487	0	50	0.0	-99.78	414.87	12.41	-87.37
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1Cl	REAL300012029488	0	46	0.0	-96.33	390.91	13.32	-83.01
COC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC=C1C	REAL300012029489	0	50	0.0	-96.31	405.02	12.26	-84.05
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CSC=N3)=C2)=C1	REAL300012029490	1	39	0.0	-90.02	340.06	9.22	-80.80
CC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1F	REAL300012029491	0	46	0.0	-90.20	381.33	12.88	-77.32
N#CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(F)=C1	REAL300012029492	0	44	0.0	-103.14	381.83	12.63	-90.51
CC1=NNC(C)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029493	0	46	0.0	-97.14	375.93	9.75	-87.39
CC1=NNC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029494	0	43	0.0	-97.35	354.87	9.29	-88.06
CN1N=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029495	0	43	0.0	-101.03	356.07	9.78	-91.25
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(Br)C=N3)=C2)=C1	REAL300012029496	0	42	0.0	-95.27	371.74	10.99	-84.28
C#CCCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029497	0	52	0.0	-96.76	434.08	13.76	-83.00
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN4C=CC=CC4=N3)=C2)=C1	REAL300012029498	0	46	0.0	-92.91	382.42	12.73	-80.18
CC1=NN(C)C2=NC=C(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)C=C12	REAL300012029499	0	51	0.0	-108.22	421.72	11.94	-96.28
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CSC(C4CC4)=N3)=C2)=C1	REAL300012029500	1	46	0.0	-90.07	391.90	11.44	-78.63
CCC1=NC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CS1	REAL300012029501	1	45	0.0	-89.68	383.50	10.69	-78.99
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN4C=C(Cl)C=CC4=N3)=C2)=C1	REAL300012029502	0	46	0.0	-94.15	399.14	13.23	-80.92
CC1=NN(C)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029503	0	46	0.0	-97.18	377.91	10.61	-86.57
CCN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300012029504	0	46	0.0	-96.39	379.80	10.88	-85.51
CN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N=N1	REAL300012029505	1	42	0.0	-98.03	352.25	8.72	-89.31
NC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029506	0	47	0.0	-98.87	389.99	8.98	-89.89
CN1C=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029507	1	43	0.0	-90.61	358.32	9.93	-80.68
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NC=CN3CC(F)(F)F)=C2)=C1	REAL300012029508	1	46	0.0	-98.13	392.96	11.70	-86.43
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3CCCCCCC3)=C2)=C1	REAL300012029509	0	55	0.0	-91.68	398.12	13.41	-78.27
CC1=CSC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029510	1	42	0.0	-92.02	362.03	9.95	-82.07
COC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1F	REAL300012029511	0	47	0.0	-93.19	390.33	11.55	-81.64
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C4CCCC4=C3)=C2)=C1	REAL300012029512	0	50	0.0	-93.29	400.96	14.12	-79.17
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=COC=N3)=C2)=C1	REAL300012029513	1	39	0.0	-92.48	330.86	6.82	-85.66
CC(C)COC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029514	0	56	0.0	-87.81	447.01	14.00	-73.81
CCN1N=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029515	0	46	0.0	-99.74	373.16	10.73	-89.01
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NC4=C(CCCC4)S3)=C2)=C1	REAL300012029516	0	49	0.0	-91.30	403.97	11.96	-79.34
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CC=NC=C4C=C3)=C2)=C1	REAL300012029517	0	48	0.0	-102.50	396.45	12.69	-89.81
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)SC=N1	REAL300012029518	0	42	0.0	-95.49	359.36	9.97	-85.52
COC1=CC(F)=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029519	0	47	0.0	-98.64	391.36	11.58	-87.06
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300012029520	0	53	0.0	-101.21	427.08	12.17	-89.04
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=CS1	REAL300012029521	0	43	0.0	-92.91	362.66	11.93	-80.98
CS(=O)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029522	0	48	0.0	-106.73	407.66	10.81	-95.92
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C4CCCCC4=C3)=C2)=C1	REAL300012029523	0	53	0.0	-92.82	418.14	14.70	-78.12
N#CC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029524	0	43	0.0	-102.39	371.39	10.69	-91.70
COC(=O)C1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CN1	REAL300012029525	0	47	0.0	-100.55	397.10	10.64	-89.91
COCC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300012029526	0	47	0.0	-94.71	391.77	10.23	-84.48
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=C1OC	REAL300012029527	0	54	0.0	-99.31	429.20	12.13	-87.18
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CSC(Cl)=C3Cl)=C2)=C1	REAL300012029528	1	40	0.0	-93.81	376.42	12.22	-81.59
CC1=NC(F)=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029529	0	45	0.0	-105.23	371.79	10.96	-94.27
COC1=CC(C)=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029530	0	50	0.0	-87.74	405.00	12.24	-75.50
CC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CS1	REAL300012029531	0	43	0.0	-92.77	367.31	11.96	-80.81
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N=N1	REAL300012029532	0	44	0.0	-97.51	366.96	9.92	-87.59
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=C(C(F)(F)F)S3)=C2)=C1	REAL300012029533	0	42	0.0	-104.51	381.52	10.63	-93.88
CN1N=NC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029534	0	42	0.0	-109.06	350.18	8.58	-100.48
CS(=O)(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029535	0	49	0.0	-104.90	416.14	9.73	-95.17
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(Cl)=CS3)=C2)=C1	REAL300012029536	0	40	0.0	-95.01	362.55	11.83	-83.18
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C4CCCC4)C=C3)=C2)=C1	REAL300012029537	0	56	0.0	-92.57	439.61	15.43	-77.14
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N(C)N=C1	REAL300012029538	0	46	0.0	-100.90	376.37	10.39	-90.51
CC1=CC(Cl)=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029539	0	46	0.0	-96.67	393.58	13.38	-83.29
COCC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029540	0	50	0.0	-95.41	410.51	11.94	-83.47
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NC=CN3C3=CC=CC=C3)=C2)=C1	REAL300012029541	1	50	0.0	-89.30	412.92	13.88	-75.42
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C4CC4)C=C3)=C2)=C1	REAL300012029542	0	50	0.0	-93.33	404.67	14.32	-79.01
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NC=C(Cl)S3)=C2)=C1	REAL300012029543	1	39	0.0	-95.47	357.29	9.97	-85.50
C=CN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300012029544	0	44	0.0	-99.02	370.05	11.22	-87.80
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=NN3C3CCCC3)=C2)=C1	REAL300012029545	0	53	0.0	-102.30	421.59	12.71	-89.59
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029546	0	53	0.0	-92.42	429.28	13.85	-78.57
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C(F)F)C=C3)=C2)=C1	REAL300012029547	0	46	0.0	-98.47	387.63	13.08	-85.39
COC1=CC(C)=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=N1	REAL300012029548	0	52	0.0	-100.77	416.29	9.97	-90.80
COC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029549	1	47	0.0	-82.83	397.66	11.98	-70.85
CCC1=CC(OC)=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029550	0	53	0.0	-95.46	418.39	12.80	-82.66
CC1=NC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N1C1=CC=CC=C1	REAL300012029551	0	53	0.0	-91.92	434.47	14.48	-77.44
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=NN1C	REAL300012029552	0	46	0.0	-96.12	375.04	10.48	-85.64
CCCN1N=C(C)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1C	REAL300012029553	0	55	0.0	-96.69	440.65	12.60	-84.09
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=C(C4CC4)N=C3)=C2)=C1	REAL300012029554	0	48	0.0	-102.18	397.44	11.87	-90.31
COCCN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300012029555	0	50	0.0	-97.77	413.47	9.93	-87.84
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C4CCC4)C=C3)=C2)=C1	REAL300012029556	0	53	0.0	-92.73	421.20	14.80	-77.93
COC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC2=CC=CC=C21	REAL300012029557	0	53	0.0	-99.60	429.92	13.82	-85.78
CCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1F	REAL300012029558	0	50	0.0	-102.04	413.03	12.51	-89.53
COC1=CC=CC2=C(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)C=CC=C12	REAL300012029559	0	53	0.0	-99.18	424.84	13.70	-85.48
N#CC1=CSC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029560	0	41	0.0	-103.51	366.71	11.74	-91.77
COC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC=C1C#N	REAL300012029561	0	48	0.0	-111.59	405.16	11.93	-99.66
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029562	0	53	0.0	-95.45	430.76	14.04	-81.41
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NC=C(C(F)(F)F)S3)=C2)=C1	REAL300012029563	1	42	0.0	-98.90	380.80	10.53	-88.37
CC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC=C1C#N	REAL300012029564	0	47	0.0	-107.13	395.46	13.11	-94.02
CC1=CN=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029565	1	42	0.0	-91.39	362.15	10.15	-81.24
CC(C)CN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300012029566	0	52	0.0	-95.64	416.65	12.47	-83.17
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC=C3C3CC3)=C2)=C1	REAL300012029567	0	50	0.0	-92.61	398.46	14.22	-78.39
CCC1=CN=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029568	1	45	0.0	-91.32	383.63	10.93	-80.39
CC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029569	0	50	0.0	-94.17	414.75	12.52	-81.65
CC1=NN(C(C)C)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029570	0	52	0.0	-96.28	418.13	12.00	-84.28
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=C(C4CCCC4)S3)=C2)=C1	REAL300012029571	0	52	0.0	-94.31	427.36	12.85	-81.46
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=C(C4CC4)S3)=C2)=C1	REAL300012029572	0	46	0.0	-94.93	393.36	11.85	-83.08
CC(C)C1=NC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029573	0	48	0.0	-94.38	404.42	11.53	-82.85
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=C(C4=CC=CO4)S3)=C2)=C1	REAL300012029574	0	46	0.0	-99.05	403.25	11.31	-87.74
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)C=C2)C=N1	REAL300012029575	0	53	0.0	-99.13	435.57	13.52	-85.61
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(CC(F)F)N=C3)=C2)=C1	REAL300012029576	0	46	0.0	-98.73	392.78	11.17	-87.56
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N1	REAL300012029577	0	51	0.0	-110.55	412.76	10.41	-100.14
NC(=O)C1=CSC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029578	0	44	0.0	-99.27	381.79	8.08	-91.19
CCC1=NN(C)C(CC)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029579	0	55	0.0	-97.31	440.32	12.44	-84.87
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=C(C4CCC4)S3)=C2)=C1	REAL300012029580	0	49	0.0	-94.33	410.01	12.33	-82.00
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=C(C4CCCO4)S3)=C2)=C1	REAL300012029581	0	50	0.0	-97.32	419.19	10.46	-86.86
CC1=CC=CC=C1N1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N=N1	REAL300012029582	1	52	0.0	-97.74	429.49	12.94	-84.80
CCOC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029583	0	50	0.0	-94.24	422.90	13.10	-81.14
CCC1=CC=CC(F)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029584	0	49	0.0	-88.38	396.03	13.48	-74.90
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NN(C(F)F)C=C3)=C2)=C1	REAL300012029585	1	43	0.0	-95.16	370.92	10.06	-85.10
CC(C)C1=CN=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029586	1	48	0.0	-91.20	404.01	11.57	-79.63
CC(C)(C)C1=CN=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029587	1	51	0.0	-91.06	421.78	12.01	-79.05
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(C4CC4)N=CS3)=C2)=C1	REAL300012029588	0	46	0.0	-96.34	390.91	11.64	-84.70
COC(=O)C1=C(C)N(C)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029589	0	53	0.0	-105.38	433.50	12.72	-92.66
COCCCN1N=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029590	0	53	0.0	-101.71	428.33	10.56	-91.15
CC1=CC(F)=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(Cl)=C1	REAL300012029591	1	46	0.0	-84.22	396.21	13.31	-70.91
CSCC1=CN=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029592	1	46	0.0	-93.47	406.87	11.38	-82.09
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CSC=C3C(F)(F)F)=C2)=C1	REAL300012029593	0	43	0.0	-88.15	375.37	12.18	-75.97
CCN1N=C(C)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029594	1	48	0.0	-95.65	394.61	9.80	-85.85
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(C4CC4)=C3)=C2)=C1	REAL300012029595	0	50	0.0	-93.50	404.66	14.31	-79.19
CC1=NN(C)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029596	0	46	0.0	-101.42	378.00	10.36	-91.06
N#CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1F	REAL300012029597	0	44	0.0	-112.31	382.20	12.65	-99.66
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)=C2)=C1	REAL300012029598	0	46	0.0	-107.48	395.05	11.31	-96.17
CC1=CC(F)=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(F)=C1	REAL300012029599	1	46	0.0	-85.63	387.47	12.93	-72.70
CC(C)CN1N=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029600	0	52	0.0	-100.35	413.04	12.28	-88.07
COC(=O)C1=C(C)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CN1	REAL300012029601	0	50	0.0	-100.98	413.06	11.23	-89.75
CC(C)(C#N)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029602	0	53	0.0	-99.17	432.07	14.17	-85.00
CC(C)C1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029603	0	52	0.0	-92.24	409.27	14.00	-78.24
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NN4CCCCC4=C3)=C2)=C1	REAL300012029604	1	50	0.0	-89.99	400.05	11.55	-78.44
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=NN3C3=CC=CC=C3)=C2)=C1	REAL300012029605	0	49	0.0	-103.83	405.77	11.85	-91.98
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CN=CC=C4O3)=C2)=C1	REAL300012029606	0	45	0.0	-101.08	378.06	11.01	-90.07
COC1=CC(OC)=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1F	REAL300012029607	0	51	0.0	-95.39	419.32	10.94	-84.45
COC1=CC(F)=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1OC	REAL300012029608	0	51	0.0	-95.96	418.70	11.46	-84.50
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(Cl)=C1	REAL300012029609	0	46	0.0	-88.61	389.56	13.32	-75.29
CCC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029610	0	49	0.0	-92.88	398.33	13.64	-79.24
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(F)=C1	REAL300012029611	0	47	0.0	-93.85	390.50	11.53	-82.32
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3CCC4)=C2)=C1	REAL300012029612	0	50	0.0	-93.44	399.66	14.04	-79.40
COC1=CC=CC(F)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029613	1	47	0.0	-84.00	388.92	11.60	-72.40
CCCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=C1	REAL300012029614	0	56	0.0	-95.27	443.11	13.87	-81.40
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CC=NC=C4S3)=C2)=C1	REAL300012029615	0	45	0.0	-100.59	387.57	11.97	-88.62
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C4CCCN4N=C3)=C2)=C1	REAL300012029616	0	47	0.0	-96.89	381.92	10.81	-86.08
CCC1=C2OC(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)=CC2=CC=C1	REAL300012029617	0	52	0.0	-96.57	426.22	14.16	-82.41
C=CCCN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N=N1	REAL300012029618	1	49	0.0	-97.39	407.98	10.88	-86.51
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=NN3CC3CC3)=C2)=C1	REAL300012029619	0	50	0.0	-99.28	404.97	12.27	-87.01
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(OC4CC4)=C3F)=C2)=C1	REAL300012029620	0	51	0.0	-93.73	421.37	13.22	-80.51
CCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=C1	REAL300012029621	0	53	0.0	-95.48	421.61	13.07	-82.41
COC1=NC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029622	0	46	0.0	-92.03	381.17	8.99	-83.04
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(C4CCCC4)=C3)=C2)=C1	REAL300012029623	0	56	0.0	-92.88	439.67	15.42	-77.46
COCC1=CSC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029624	0	47	0.0	-92.93	400.97	11.04	-81.89
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(C4CCC4)N=N3)=C2)=C1	REAL300012029625	1	49	0.0	-97.19	397.63	10.69	-86.50
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CSC(C(F)(F)F)=C3)=C2)=C1	REAL300012029626	0	43	0.0	-100.70	386.07	12.35	-88.35
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C(F)(F)F)O3)=C2)=C1	REAL300012029627	0	43	0.0	-99.79	377.36	11.58	-88.21
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(C(F)(F)F)SC=C3)=C2)=C1	REAL300012029628	0	43	0.0	-89.33	376.85	12.35	-76.98
CN(C)C1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=CC(F)=C1F	REAL300012029629	0	51	0.0	-100.00	415.10	12.28	-87.72
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(F)C=CC(F)=C3Cl)=C2)=C1	REAL300012029630	1	43	0.0	-88.09	380.66	12.69	-75.40
CN(C)C1=CC(F)=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1F	REAL300012029631	0	51	0.0	-95.42	420.86	11.80	-83.62
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(F)C(F)=C3F)=C2)=C1	REAL300012029632	0	43	0.0	-102.61	372.58	12.38	-90.23
CCCN1N=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029633	0	49	0.0	-99.95	394.66	11.49	-88.46
CN1N=C(C(F)(F)F)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029634	0	46	0.0	-108.95	397.44	10.76	-98.19
CCCC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029635	0	49	0.0	-90.74	410.53	13.68	-77.06
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)=C2)=C1	REAL300012029636	0	50	0.0	-97.16	422.81	14.83	-82.33
CC(C)C1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029637	0	52	0.0	-92.86	415.67	14.13	-78.73
CN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(Cl)=N1	REAL300012029638	1	43	0.0	-95.18	374.93	10.44	-84.74
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(CC4CCC4)=C3)=C2)=C1	REAL300012029639	0	56	0.0	-93.12	446.50	15.72	-77.40
COC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC=C1Cl	REAL300012029640	0	47	0.0	-102.16	400.98	12.06	-90.10
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=NN3CC3CCC3)=C2)=C1	REAL300012029641	0	53	0.0	-101.74	425.94	12.76	-88.98
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC=C3CC(F)(F)F)=C2)=C1	REAL300012029642	0	49	0.0	-93.13	404.57	13.78	-79.35
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(F)=C1	REAL300012029643	0	46	0.0	-90.24	382.42	12.92	-77.32
CC(=O)NC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029644	0	50	0.0	-104.10	411.26	11.12	-92.98
CN1N=CC2=CC(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)=CN=C21	REAL300012029645	0	48	0.0	-107.27	399.75	11.34	-95.93
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(CC(F)(F)F)C=C3)=C2)=C1	REAL300012029646	0	49	0.0	-96.04	416.43	14.00	-82.04
CN1N=C2CCCCC2=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029647	0	53	0.0	-102.26	419.64	12.21	-90.05
CC1=C(C)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CS1	REAL300012029648	0	46	0.0	-92.67	382.03	12.54	-80.13
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=C(Cl)C(F)=C3)=C2)=C1	REAL300012029649	0	42	0.0	-108.54	373.04	10.90	-97.64
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)=C2)=C1	REAL300012029650	0	49	0.0	-103.27	401.97	14.38	-88.89
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CN=C3Br)=C2)=C1	REAL300012029651	1	42	0.0	-92.98	365.97	10.90	-82.08
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029652	0	53	0.0	-90.85	429.78	13.20	-77.65
CCOC1=CC(F)=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029653	0	50	0.0	-98.40	413.22	12.51	-85.89
CC(C)(C)OC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029654	0	56	0.0	-93.22	435.85	13.35	-79.87
CC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029655	0	46	0.0	-96.78	384.96	13.20	-83.58
COC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C(F)C=C1C	REAL300012029656	0	50	0.0	-92.35	409.56	12.29	-80.06
CC(C)(C)C1=CSC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029657	1	51	0.0	-91.72	421.03	11.93	-79.79
COCCC1=NC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029658	0	49	0.0	-97.28	417.31	10.00	-87.28
CN1N=C2CCSCC2=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029660	0	51	0.0	-105.23	419.85	11.88	-93.35
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3CCOC4)=C2)=C1	REAL300012029661	0	51	0.0	-96.32	402.21	12.18	-84.14
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C4OC(=O)OC4=C3)=C2)=C1	REAL300012029662	0	45	0.0	-113.31	383.21	12.76	-100.55
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC4=NC=CC=C34)=C2)=C1	REAL300012029663	0	48	0.0	-103.82	391.56	12.46	-91.36
CCCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1C	REAL300012029664	0	56	0.0	-95.75	448.38	13.98	-81.77
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=NC=CN=C4C=C3)=C2)=C1	REAL300012029665	0	47	0.0	-103.48	391.49	10.63	-92.85
CCOC1=CC=CC(F)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029666	1	50	0.0	-83.45	410.77	12.52	-70.93
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=CC=C1[N+](=O)[O-]	REAL300012029667	0	48	0.0	-108.64	395.75	13.47	-95.17
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029668	0	51	0.0	-108.12	414.67	13.86	-94.26
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(F)=C1OC	REAL300012029669	0	51	0.0	-97.93	423.49	11.55	-86.38
COC(=O)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(F)=C1	REAL300012029670	0	49	0.0	-102.10	415.78	12.90	-89.20
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC=C3OCC(F)F)=C2)=C1	REAL300012029671	0	50	0.0	-87.63	418.42	12.83	-74.80
CC1=COC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029672	0	43	0.0	-92.45	358.10	11.03	-81.42
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(Cl)C=N3)=C2)=C1	REAL300012029673	0	42	0.0	-95.13	367.17	10.88	-84.25
CC1=CC(C#N)=CC(C)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029674	0	50	0.0	-104.62	409.37	13.66	-90.96
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(CCF)N=C3)=C2)=C1	REAL300012029676	0	46	0.0	-98.48	386.38	11.02	-87.46
CCCC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029678	0	52	0.0	-92.42	419.83	14.43	-77.99
CC1=C2C=C(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)C=NC2=NN1	REAL300012029679	0	48	0.0	-111.07	398.51	10.74	-100.33
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NC=CS3)=C2)=C1	REAL300012029680	1	39	0.0	-91.82	340.23	9.36	-82.46
CN1N=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C2=CC=CC=C21	REAL300012029681	0	49	0.0	-95.77	405.39	12.13	-83.64
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C4C=CC=CC4=NN3)=C2)=C1	REAL300012029682	0	46	0.0	-107.84	382.33	10.83	-97.01
CN1C(Cl)=NC(Cl)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029683	1	43	0.0	-101.76	388.90	11.50	-90.26
CCC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029684	0	46	0.0	-90.81	389.04	12.90	-77.91
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NC=CC4=CC=CC=C43)=C2)=C1	REAL300012029685	0	48	0.0	-95.08	393.17	12.50	-82.58
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N2C=CC=CC2=N1	REAL300012029686	0	49	0.0	-103.45	401.92	13.18	-90.27
CCC1=NC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029687	0	45	0.0	-94.77	383.63	10.93	-83.84
COC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)SC=C1	REAL300012029688	0	44	0.0	-85.60	375.56	10.62	-74.98
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(C4=CC=CC=N4)=NN3)=C2)=C1	REAL300012029689	0	49	0.0	-102.63	411.63	10.46	-92.17
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CSC=C3Cl)=C2)=C1	REAL300012029690	0	40	0.0	-89.38	360.12	11.62	-77.76
CC1=NN2C(=NC(C)=C2C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029691	0	48	0.0	-97.35	409.79	11.39	-85.96
CCCC(C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1)C1=CC=CC=C1	REAL300012029692	0	55	0.0	-94.08	432.49	14.94	-79.14
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3CC4CCC3C4)=C2)=C1	REAL300012029693	0	50	0.0	-91.53	380.29	12.86	-78.67
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(F)N=C3)=C2)=C1	REAL300012029694	0	42	0.0	-105.43	356.71	10.37	-95.06
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C(F)(F)F)S3)=C2)=C1	REAL300012029695	0	43	0.0	-99.89	386.32	12.52	-87.37
CC1(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CCC1	REAL300012029696	0	46	0.0	-88.65	359.31	11.89	-76.76
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3(C(F)F)CC3)=C2)=C1	REAL300012029697	0	43	0.0	-96.37	355.12	11.78	-84.59
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)NN=C1	REAL300012029698	0	43	0.0	-99.32	354.50	9.25	-90.07
CC1=CNN=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029698	1	43	0.0	-90.61	355.21	9.21	-81.40
CC1=CN=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N1C	REAL300012029699	1	46	0.0	-95.67	375.76	11.06	-84.61
CC(C)C1CCC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300012029700	0	58	0.0	-90.90	425.34	14.02	-76.88
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029701	0	53	0.0	-90.77	430.04	13.12	-77.65
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CON=C3CC3=CC=CC=C3)=C2)=C1	REAL300012029702	0	52	0.0	-106.78	429.53	13.89	-92.89
CCC1=NOC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029703	0	45	0.0	-101.54	372.82	10.98	-90.56
CN1N=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1Cl	REAL300012029704	1	43	0.0	-92.81	374.07	10.35	-82.46
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CC=CN=C4O3)=C2)=C1	REAL300012029705	0	45	0.0	-101.37	378.10	9.69	-91.68
CC1=CN=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029706	0	45	0.0	-98.68	365.58	11.05	-87.63
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)=C2)=C1	REAL300012029707	0	45	0.0	-102.71	394.86	10.19	-92.52
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]C[C@@H]3C[C@H]3C3=CC=CC=C3)=C2)=C1	REAL300012029708	0	50	0.0	-93.49	404.62	14.34	-79.15
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=NC=C3Br)=C2)=C1	REAL300012029709	1	42	0.0	-94.22	367.13	10.98	-83.24
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=NN3C3=CC=CC=N3)=C2)=C1	REAL300012029710	0	49	0.0	-91.90	407.63	12.90	-79.00
CC(C)N1C=CN=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029712	1	49	0.0	-94.90	396.30	12.03	-82.87
CN1N=CC(C(F)(F)F)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029713	0	46	0.0	-98.89	393.10	10.81	-88.08
CN1N=CC(C2CC2)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029714	0	50	0.0	-101.66	406.16	11.85	-89.81
CN1N=CC(C2CCC2)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029715	0	53	0.0	-102.50	422.53	12.35	-90.15
CC1=NC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N1C	REAL300012029716	0	46	0.0	-99.19	376.39	11.20	-87.99
CC1=C2C=C(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)NC2=CC=C1	REAL300012029717	0	50	0.0	-99.50	408.28	12.80	-86.70
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=NN3C3=CC=NC=C3)=C2)=C1	REAL300012029718	0	49	0.0	-99.71	406.70	11.36	-88.35
CC1=CC=C2C=C(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)NC2=C1	REAL300012029719	0	50	0.0	-99.04	408.70	12.81	-86.23
CC1=NC=CN=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029720	0	44	0.0	-95.05	362.42	9.02	-86.03
CCOC1=CN=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029721	0	49	0.0	-98.68	401.73	10.62	-88.06
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=NC=C3Cl)=C2)=C1	REAL300012029722	0	42	0.0	-94.91	363.52	10.89	-84.02
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=NN3C3CCOCC3)=C2)=C1	REAL300012029723	0	54	0.0	-106.25	431.11	10.85	-95.40
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC4=NNC=C43)=C2)=C1	REAL300012029724	0	46	0.0	-106.49	381.57	10.91	-95.58
CCC(F)(F)C(C)(C)C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029725	0	51	0.0	-88.99	394.96	12.60	-76.39
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=NC(F)=C3)=C2)=C1	REAL300012029726	0	42	0.0	-105.90	356.75	10.39	-95.51
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C4C=CNC4=C3)=C2)=C1	REAL300012029727	0	47	0.0	-96.57	386.81	12.24	-84.33
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=C(C=CNC4=O)O3)=C2)=C1	REAL300012029728	0	46	0.0	-103.82	388.06	9.70	-94.12
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C(F)F)N=C3)=C2)=C1	REAL300012029729	0	45	0.0	-103.94	383.46	11.33	-92.61
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029730	0	52	0.0	-96.98	427.28	12.65	-84.33
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(CC4CCOC4)N=N3)=C2)=C1	REAL300012029731	1	53	0.0	-100.14	429.91	9.66	-90.48
COC1=CN=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1C	REAL300012029732	0	49	0.0	-98.47	393.95	10.38	-88.09
CC1=CC(C)=C(C=CC[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=C1	REAL300012029733	0	56	0.0	-95.51	445.47	15.34	-80.17
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(CC4CCCO4)N=N3)=C2)=C1	REAL300012029734	1	53	0.0	-97.51	430.45	9.80	-87.71
CCCN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N=N1	REAL300012029735	1	48	0.0	-97.63	395.17	10.32	-87.31
CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029736	0	51	0.0	-90.88	413.07	12.30	-78.58
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(C4CC4)C=N3)=C2)=C1	REAL300012029737	1	47	0.0	-89.06	386.82	12.87	-76.19
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)=C2)=C1	REAL300012029738	0	48	0.0	-108.43	402.86	12.65	-95.78
CC1=CC(C)=C(C=CC[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1C	REAL300012029739	0	56	0.0	-94.39	442.37	15.24	-79.15
CC1=NSC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029740	0	42	0.0	-98.90	362.00	10.63	-88.27
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029741	0	48	0.0	-108.77	409.61	7.17	-101.60
CCN1N=CN=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029742	1	45	0.0	-101.95	368.88	11.38	-90.57
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=C(C4CC4)O3)=C2)=C1	REAL300012029743	1	46	0.0	-96.61	384.16	9.52	-87.09
CCC1=CNC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029744	1	46	0.0	-95.41	378.22	10.28	-85.13
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NC=CC4=C3CCCC4)=C2)=C1	REAL300012029745	0	52	0.0	-91.29	408.40	12.71	-78.58
CC1=NN(C)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1Cl	REAL300012029746	1	46	0.0	-98.44	394.53	10.87	-87.57
CN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C2CCCC2)=N1	REAL300012029747	0	56	0.0	-98.58	443.77	13.12	-85.46
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C4OCCCC4=C3)=C2)=C1	REAL300012029748	0	51	0.0	-96.59	409.15	12.84	-83.75
CN(C)C(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029749	0	53	0.0	-99.61	427.27	12.06	-87.55
CCC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(Cl)=NN1	REAL300012029750	0	46	0.0	-93.68	388.71	10.42	-83.26
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(C4CC4)NN=C3Cl)=C2)=C1	REAL300012029751	1	47	0.0	-94.27	401.81	11.16	-83.11
CCC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=NO1	REAL300012029752	0	48	0.0	-101.18	394.20	11.78	-89.40
CCN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N=N1	REAL300012029753	1	45	0.0	-97.85	373.67	9.56	-88.29
CC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C2CCCCC2=N1	REAL300012029754	0	55	0.0	-101.28	428.02	13.40	-87.88
CCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300012029755	0	47	0.0	-95.75	391.06	11.72	-84.03
CCN1C=NC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029757	1	46	0.0	-88.74	379.32	12.39	-76.35
CC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CN=C1F	REAL300012029758	0	45	0.0	-105.62	377.08	10.99	-94.63
CC1=CC(F)=NC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029759	0	45	0.0	-104.00	371.96	11.00	-93.00
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C(F)F)C(F)=C3)=C2)=C1	REAL300012029760	0	46	0.0	-103.14	394.65	13.17	-89.97
COC(=O)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1C	REAL300012029761	0	52	0.0	-104.16	426.29	13.41	-90.75
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=C1	REAL300012029762	0	50	0.0	-95.58	399.76	12.14	-83.44
CC1CC2=CC(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)=CC=C2O1	REAL300012029763	0	51	0.0	-98.38	412.48	12.82	-85.56
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3OC(=O)N4)=C2)=C1	REAL300012029764	0	46	0.0	-99.83	387.20	9.71	-90.12
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3OCC4)=C2)=C1	REAL300012029765	0	48	0.0	-88.86	391.19	12.05	-76.81
CSCC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029766	0	50	0.0	-94.93	421.57	14.10	-80.83
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(CC4CCC4)N=C3)=C2)=C1	REAL300012029767	0	53	0.0	-96.20	427.69	12.96	-83.24
CN1N=C2CCOCC2=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029768	0	51	0.0	-104.60	410.76	9.81	-94.79
CN1N=C2CCCC2=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029769	0	50	0.0	-101.63	402.19	11.69	-89.94
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=NN3C3CCC3)=C2)=C1	REAL300012029770	0	50	0.0	-102.05	404.23	12.00	-90.05
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(C4CCC4)N=C3)=C2)=C1	REAL300012029771	0	50	0.0	-96.27	403.61	12.00	-84.27
COC1=CC=C(C)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029772	0	50	0.0	-93.40	399.77	12.13	-81.27
CN1C=NC2=CC=CC(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)=C21	REAL300012029773	0	49	0.0	-103.20	393.84	13.47	-89.73
CCC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029774	0	49	0.0	-91.84	388.87	13.49	-78.35
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029775	0	53	0.0	-107.22	426.50	12.06	-95.16
CC1=CC(F)=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029776	0	46	0.0	-97.90	383.26	12.95	-84.95
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=C1C	REAL300012029777	0	52	0.0	-91.82	405.00	13.95	-77.87
CCNC(=O)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029778	0	53	0.0	-105.84	433.41	11.34	-94.50
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029779	0	55	0.0	-87.10	409.77	14.56	-72.54
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=C4CCCCCN34)=C2)=C1	REAL300012029780	0	53	0.0	-99.22	411.52	12.61	-86.61
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CON=C3C3CC3)=C2)=C1	REAL300012029781	0	46	0.0	-101.99	383.58	11.82	-90.17
CCN1CCC2=CC(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)=CC=C21	REAL300012029782	0	55	0.0	-95.18	434.75	12.83	-82.35
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=NN1C(C)C	REAL300012029783	0	52	0.0	-95.32	417.46	12.05	-83.27
CSC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1Cl	REAL300012029784	0	47	0.0	-100.52	410.67	13.68	-86.84
CC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC=C1C1CC1	REAL300012029785	0	53	0.0	-93.22	422.48	14.83	-78.39
CCOC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC=N1	REAL300012029786	0	49	0.0	-100.24	404.39	9.85	-90.39
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1C1CC1	REAL300012029787	0	53	0.0	-93.51	421.88	14.84	-78.67
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300012029788	0	44	0.0	-95.91	369.21	10.78	-85.13
COCCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300012029789	0	51	0.0	-97.76	424.69	10.96	-86.80
CC1=NN(C(C)C)C(C)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029790	0	55	0.0	-96.20	438.89	12.52	-83.68
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NN(CCF)C=C3)=C2)=C1	REAL300012029791	1	46	0.0	-92.65	386.44	10.93	-81.72
CCN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=N1	REAL300012029792	0	49	0.0	-96.90	399.45	11.47	-85.43
CN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C2CC2)=N1	REAL300012029793	0	50	0.0	-98.03	410.26	12.20	-85.83
CN1N=C(C2CC2)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029794	0	50	0.0	-102.31	407.77	11.87	-90.44
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029795	0	53	0.0	-103.24	426.21	15.21	-88.03
CC(C)C1=NOC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029796	0	48	0.0	-101.74	393.69	11.50	-90.24
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=C(C4CCOCC4)O3)=C2)=C1	REAL300012029797	1	53	0.0	-98.68	427.72	8.67	-90.01
COC1=NC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1F	REAL300012029798	0	46	0.0	-99.15	388.12	8.97	-90.18
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN4C=CN=C4S3)=C2)=C1	REAL300012029799	0	43	0.0	-107.71	372.83	12.17	-95.54
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C(C(C)(C)C)O1	REAL300012029800	0	55	0.0	-92.77	438.13	13.76	-79.01
CC1=C(C)SC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029801	0	45	0.0	-91.40	380.92	10.66	-80.74
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(CC4=CC=CC=C4)N=N3)=C2)=C1	REAL300012029802	1	52	0.0	-99.73	433.60	12.56	-87.17
CC1OC2=CC=C(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)C=C2C1C	REAL300012029803	0	54	0.0	-98.28	428.84	13.32	-84.96
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1OC(F)F	REAL300012029804	0	50	0.0	-93.74	414.78	12.54	-81.20
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CSN=C3)=C2)=C1	REAL300012029805	0	39	0.0	-100.23	339.95	9.85	-90.38
CC(C)CC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029806	0	55	0.0	-92.71	427.89	14.75	-77.96
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)NN=C1C(F)(F)F	REAL300012029808	0	46	0.0	-107.67	393.16	10.16	-97.51
CC(C)CN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N=N1	REAL300012029809	1	51	0.0	-97.19	410.86	10.96	-86.23
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NC(C4CC4)=CS3)=C2)=C1	REAL300012029810	1	46	0.0	-92.55	391.08	11.43	-81.12
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(C(F)(F)F)=NN3)=C2)=C1	REAL300012029811	0	43	0.0	-107.63	376.51	9.55	-98.08
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C4CCOC4=C3)=C2)=C1	REAL300012029812	0	48	0.0	-96.05	391.30	12.05	-84.00
CSC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029814	0	47	0.0	-94.47	395.66	13.23	-81.24
CC(C)C1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)N(C)N=C1	REAL300012029815	0	52	0.0	-101.62	417.61	11.70	-89.92
CC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC(C)=N1	REAL300012029816	0	48	0.0	-99.96	393.55	11.66	-88.30
CCCN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=N1	REAL300012029817	0	52	0.0	-96.74	420.95	12.23	-84.51
CCN1C=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029818	1	46	0.0	-90.14	379.85	10.79	-79.35
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=NC=CC=C4O3)=C2)=C1	REAL300012029819	0	45	0.0	-100.79	378.08	10.93	-89.86
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(CC4CC4)S3)=C2)=C1	REAL300012029821	0	50	0.0	-91.04	420.65	14.46	-76.58
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(OC4CC4)C=C3)=C2)=C1	REAL300012029822	0	51	0.0	-97.04	415.99	13.18	-83.86
CNC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029823	0	50	0.0	-99.00	411.92	10.48	-88.52
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C4CC4)C(C4CC4)=C3)=C2)=C1	REAL300012029824	0	57	0.0	-94.33	450.41	16.24	-78.09
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029826	0	53	0.0	-98.54	433.41	11.33	-87.21
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)OC2=CC=C(F)C=C12	REAL300012029827	0	49	0.0	-99.67	410.14	13.43	-86.24
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(C4CCC4)=NN3)=C2)=C1	REAL300012029828	0	50	0.0	-100.83	402.56	11.12	-89.71
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029829	0	53	0.0	-105.12	435.52	13.33	-91.79
CCCN1C=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029830	1	49	0.0	-90.06	401.35	11.55	-78.51
CC(C)N1C=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029831	1	49	0.0	-89.75	398.54	11.32	-78.43
CC(C)(C)C1=CN=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029832	0	54	0.0	-98.00	426.85	12.71	-85.29
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NN(CC(F)(F)F)C=C3)=C2)=C1	REAL300012029833	1	46	0.0	-94.48	397.73	11.29	-83.19
CN1C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=NC2=C1CCCC2	REAL300012029834	1	53	0.0	-95.98	418.17	12.89	-83.09
COC1=NC(Cl)=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029835	0	46	0.0	-97.51	398.05	9.41	-88.10
CN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C(F)(F)F)=N1	REAL300012029836	0	46	0.0	-96.45	392.22	11.00	-85.45
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(C(F)F)=C3F)=C2)=C1	REAL300012029837	0	46	0.0	-94.98	394.04	13.15	-81.83
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3COCC4)=C2)=C1	REAL300012029838	0	51	0.0	-95.58	402.17	12.21	-83.37
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029839	0	50	0.0	-89.88	422.17	13.01	-76.87
COC1=NN(C)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029840	0	47	0.0	-93.95	391.16	7.95	-86.00
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NC4=C(COCC4)S3)=C2)=C1	REAL300012029841	1	47	0.0	-94.61	394.86	9.55	-85.06
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=C(CCCC4)O3)=C2)=C1	REAL300012029842	0	50	0.0	-92.26	399.73	13.04	-79.22
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(F)=CC([N+](=O)[O-])=C3)=C2)=C1	REAL300012029843	0	45	0.0	-112.48	390.07	12.95	-99.53
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(C4CCCCC4)N=C3)=C2)=C1	REAL300012029844	0	56	0.0	-95.74	440.11	13.26	-82.48
CN(CCO)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300012029846	0	54	0.0	-97.29	435.02	9.78	-87.51
COC1=CC(C)=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300012029847	0	49	0.0	-99.79	397.73	9.54	-90.25
COC1=CC(C)=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1O	REAL300012029848	0	51	0.0	-98.53	410.47	9.97	-88.56
CN1C(=O)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC2=CC=CC=C21	REAL300012029849	0	52	0.0	-92.93	422.79	13.01	-79.92
COC1=NC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC=C1C	REAL300012029850	0	49	0.0	-94.18	402.74	9.60	-84.58
CCCN1C=NC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029851	0	49	0.0	-96.58	393.71	13.10	-83.48
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CNC3=O)=C2)=C1	REAL300012029852	0	43	0.0	-89.63	359.06	9.13	-80.50
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC=CC3=CC=C4OCOC4=C3)=C2)=C1	REAL300012029853	0	50	0.0	-101.06	412.55	12.17	-88.89
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(CC4CCC4)C=C3)=C2)=C1	REAL300012029854	0	56	0.0	-92.19	446.56	15.73	-76.46
CCC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=NN1CC	REAL300012029855	0	52	0.0	-93.72	414.81	12.13	-81.59
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(F)C=CC(Cl)=C3F)=C2)=C1	REAL300012029856	1	43	0.0	-89.09	382.24	12.75	-76.34
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(C4CC4)=NN3)=C2)=C1	REAL300012029857	0	47	0.0	-101.14	387.04	10.68	-90.46
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=NN3C3CC3(F)F)=C2)=C1	REAL300012029858	0	47	0.0	-109.25	399.15	11.76	-97.49
COC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=CS1	REAL300012029859	0	44	0.0	-87.85	376.98	10.64	-77.21
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C(F)(F)F)=CO1	REAL300012029860	0	46	0.0	-90.63	394.79	12.00	-78.63
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029861	0	49	0.0	-97.52	408.65	13.73	-83.79
CN1C=C(C2=NNC=C2C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300012029862	0	50	0.0	-96.20	415.82	9.91	-86.29
CCCN1N=C(C)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1Cl	REAL300012029863	1	52	0.0	-92.98	436.90	12.48	-80.50
CC(C)(C#N)C1=NC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)S1	REAL300012029864	0	49	0.0	-98.03	422.12	11.56	-86.47
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(F)=CC(F)=C3F)=C2)=C1	REAL300012029865	0	43	0.0	-98.88	373.71	12.37	-86.51
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C4=CSC=C4)C=C3)=C2)=C1	REAL300012029866	0	50	0.0	-96.20	421.01	14.64	-81.56
CC(C)(C)C1=NNC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029867	0	52	0.0	-100.21	417.41	11.05	-89.16
C=CCC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029868	0	50	0.0	-92.70	402.57	14.08	-78.62
COCC1=CN=C(OC)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029869	0	53	0.0	-92.61	435.37	8.76	-83.85
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC=CC3=CC=CC=C3)=C2)=C1	REAL300012029870	0	47	0.0	-93.91	386.49	13.51	-80.40
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN=NN3C3CC3)=C2)=C1	REAL300012029871	0	46	0.0	-108.82	381.93	10.22	-98.60
COCC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029872	0	50	0.0	-96.10	401.88	12.06	-84.04
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C4CCOCC4=C3)=C2)=C1	REAL300012029873	0	51	0.0	-96.31	409.16	12.30	-84.01
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(CCO)N=C3)=C2)=C1	REAL300012029874	0	47	0.0	-98.35	391.21	7.53	-90.82
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC(C4=CC=NC=C4)=NN3)=C2)=C1	REAL300012029875	0	49	0.0	-107.74	410.07	10.39	-97.35
COC1=CC=C(F)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1OC	REAL300012029876	1	51	0.0	-86.83	420.85	11.54	-75.29
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC=CC3=CC=NC=C3)=C2)=C1	REAL300012029877	0	46	0.0	-99.54	381.51	11.74	-87.80
CN1C=CC(C2=NNC=C2C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029878	0	50	0.0	-91.05	415.75	10.27	-80.78
C=CC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029879	0	47	0.0	-94.08	386.57	13.30	-80.78
CC(F)(F)C1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029880	0	49	0.0	-87.41	395.96	13.74	-73.67
CCN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C2CC2)=N1	REAL300012029881	0	53	0.0	-97.77	431.80	13.06	-84.71
CC(C)(C)C1=NOC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029882	0	51	0.0	-99.46	398.94	11.99	-87.47
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CN=CC=C4C=C3)=C2)=C1	REAL300012029883	0	48	0.0	-102.91	396.45	12.69	-90.22
CC1=CC2=CC=CC(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)=C2O1	REAL300012029884	0	49	0.0	-91.96	404.68	13.36	-78.60
COC1=CSC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1OC	REAL300012029885	0	48	0.0	-92.65	404.59	10.36	-82.29
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CON=C3C3CCC3)=C2)=C1	REAL300012029886	0	49	0.0	-102.39	400.15	12.29	-90.10
CS(=O)(=O)C1=COC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029887	1	46	0.0	-104.47	399.27	7.81	-96.66
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1F	REAL300012029888	0	53	0.0	-101.88	430.95	13.14	-88.74
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(F)C(Cl)=C3F)=C2)=C1	REAL300012029890	0	43	0.0	-100.74	382.04	12.81	-87.93
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC(C(F)F)=C3)=C2)=C1	REAL300012029891	0	46	0.0	-96.93	387.63	13.07	-83.86
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(F)C4=CC=CC=C4C=C3)=C2)=C1	REAL300012029892	0	49	0.0	-92.99	405.98	14.47	-78.52
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CSC(Cl)=C3)=C2)=C1	REAL300012029893	0	40	0.0	-96.98	362.47	11.77	-85.21
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=NN1C1CCC1	REAL300012029894	0	53	0.0	-95.44	423.11	12.69	-82.75
CC1=NN(C2CCCC2)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029895	0	56	0.0	-102.72	443.54	13.30	-89.42
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=NN3CC(F)F)=C2)=C1	REAL300012029896	0	46	0.0	-108.50	390.90	10.96	-97.54
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(F)C=CN=C3Cl)=C2)=C1	REAL300012029897	1	42	0.0	-88.94	369.97	10.82	-78.12
CN(C)C1=CN=CC(F)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029898	1	50	0.0	-89.17	409.28	10.31	-78.86
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029899	1	52	0.0	-99.33	430.36	12.54	-86.79
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NN(C4CCC4)C=C3)=C2)=C1	REAL300012029900	1	50	0.0	-89.80	403.67	11.90	-77.90
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NN(CC(F)F)C=C3)=C2)=C1	REAL300012029901	1	46	0.0	-93.66	391.70	11.11	-82.55
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NN(C4CC4(F)F)C=C3)=C2)=C1	REAL300012029902	1	47	0.0	-95.29	401.36	11.66	-83.63
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CN(C4CCOCC4)N=C3)=C2)=C1	REAL300012029903	0	54	0.0	-96.54	430.89	10.87	-85.67
CC1=CN(C)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029904	1	46	0.0	-96.19	377.02	11.18	-85.01
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NN(C4CCCC4)C=C3)=C2)=C1	REAL300012029905	1	53	0.0	-89.61	421.23	12.57	-77.04
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=NC=C(Cl)C=C3Cl)=C2)=C1	REAL300012029906	1	42	0.0	-88.74	381.29	11.29	-77.45
CC1=NSC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029907	0	42	0.0	-100.59	356.32	10.43	-90.16
CC1=NN(C2CCCC2)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029908	0	56	0.0	-96.34	440.79	13.25	-83.09
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC=C3C(F)F)=C2)=C1	REAL300012029909	0	46	0.0	-94.15	378.46	13.19	-80.96
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=CNN=C4C=C3)=C2)=C1	REAL300012029910	0	46	0.0	-103.48	381.70	10.93	-92.55
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(Cl)C(F)=C3F)=C2)=C1	REAL300012029911	0	43	0.0	-100.95	382.47	12.82	-88.13
CC1=C(F)C=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029912	0	46	0.0	-98.20	376.22	12.80	-85.40
CN1C=C(C2=CC=CC(C[NH2+]CC3=CC=CC(C4=CC=CC(C(=O)[O-])=C4)=C3)=C2)C=N1	REAL300012029913	0	53	0.0	-98.31	435.57	13.50	-84.81
COC1=C(C#N)C=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029914	0	48	0.0	-102.58	405.15	12.02	-90.56
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=NC(Br)=C3)=C2)=C1	REAL300012029915	0	42	0.0	-104.02	371.79	10.94	-93.08
CC1=NC(Cl)=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029916	0	45	0.0	-103.50	382.25	11.44	-92.06
COC1=CC(Cl)=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029917	0	47	0.0	-97.51	401.68	12.02	-85.49
COC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CC(F)=C1F	REAL300012029918	0	47	0.0	-110.14	397.47	11.64	-98.50
COC1=CC(C)=NC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029919	0	49	0.0	-91.43	400.70	10.42	-81.01
CC(C)N1C=NC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029920	1	49	0.0	-88.49	398.94	12.78	-75.71
CN1N=CC=C1C1=NNC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029921	0	50	0.0	-98.27	417.10	9.86	-88.41
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C2CC2)=NO1	REAL300012029922	0	49	0.0	-101.44	404.71	12.61	-88.83
COC(=O)C1=C(C)NC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1C	REAL300012029923	0	53	0.0	-104.74	438.16	11.95	-92.79
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300012029924	0	50	0.0	-95.62	411.37	12.44	-83.18
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(Cl)C=CC4=C3OCO4)=C2)=C1	REAL300012029925	1	46	0.0	-86.80	395.52	11.28	-75.52
N#CC1=CC(F)=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029926	0	44	0.0	-108.65	382.72	12.66	-95.99
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C4CCCCC4)C=C3)=C2)=C1	REAL300012029927	0	59	0.0	-92.38	457.30	16.02	-76.36
COC1=CC=CC=C1C=CC[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029928	0	51	0.0	-93.20	414.86	12.87	-80.33
CC1=NN(C2CCC2)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029929	0	53	0.0	-96.78	423.19	12.59	-84.19
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=NN1CC(F)F	REAL300012029930	0	49	0.0	-97.08	409.58	11.62	-85.46
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C4=CC=CC=N4)N=C3)=C2)=C1	REAL300012029931	0	51	0.0	-102.64	424.63	12.55	-90.09
CCCN1N=C(C)C(Cl)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029932	1	52	0.0	-98.26	437.83	12.49	-85.77
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029933	0	50	0.0	-106.33	418.75	11.46	-94.87
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=N1	REAL300012029934	0	49	0.0	-100.44	397.56	9.50	-90.94
CCN(C)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C)=C1	REAL300012029935	0	57	0.0	-91.04	443.57	14.19	-76.85
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=C(Cl)C(Cl)=CS3)=C2)=C1	REAL300012029936	0	40	0.0	-92.66	376.90	12.25	-80.41
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=NS1	REAL300012029937	0	42	0.0	-99.91	358.19	10.64	-89.27
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029938	0	54	0.0	-82.20	433.16	11.58	-70.62
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=NO1	REAL300012029939	0	42	0.0	-100.01	350.66	10.47	-89.54
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(CF)C=C3)=C2)=C1	REAL300012029940	0	46	0.0	-95.95	383.43	13.03	-82.92
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C4SC=CC4=C3)=C2)=C1	REAL300012029941	0	46	0.0	-99.33	392.37	13.59	-85.74
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3)=C2)=C1	REAL300012029942	0	52	0.0	-100.03	424.86	13.88	-86.15
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC=C3CO)=C2)=C1	REAL300012029943	0	47	0.0	-97.68	379.63	9.66	-88.02
CC1=NSC(C)=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029944	0	45	0.0	-101.32	378.00	11.05	-90.27
CC(C)(C)C1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=NO1	REAL300012029945	0	51	0.0	-96.86	398.70	12.27	-84.59
CC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1C(F)(F)F	REAL300012029946	0	49	0.0	-91.89	400.29	13.84	-78.05
C=CCN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300012029947	0	47	0.0	-96.64	392.60	11.44	-85.20
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC4=NNC=C4C=C3)=C2)=C1	REAL300012029948	0	46	0.0	-98.46	381.70	10.93	-87.53
CCC(C)C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=C1	REAL300012029949	0	55	0.0	-92.42	434.12	14.80	-77.62
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=N1	REAL300012029950	0	48	0.0	-98.88	404.55	12.16	-86.72
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3CCCC4)=C2)=C1	REAL300012029951	0	53	0.0	-94.00	410.79	14.58	-79.42
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029952	0	50	0.0	-99.69	415.32	14.10	-85.59
O=C([O-])C1=CC=CC(C2=CC=CC(C[NH2+]CC3=CC=C(N4C=CN=N4)C=C3)=C2)=C1	REAL300012029953	0	49	0.0	-109.36	407.82	12.12	-97.24
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C=CC2=CC=CC=C21	REAL300012029954	0	52	0.0	-95.77	412.42	14.97	-80.80
COC1=C2C=CNC2=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029955	0	51	0.0	-91.67	416.32	11.63	-80.04
CC1=NC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C(C)S1	REAL300012029956	1	45	0.0	-90.48	380.92	10.62	-79.86
CCCN1N=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1C	REAL300012029957	0	52	0.0	-95.68	420.12	12.07	-83.61
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C2=NC=CC=C2C=C1	REAL300012029958	0	51	0.0	-86.68	411.19	13.29	-73.39
CC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=CN=C1N1C=CC=N1	REAL300012029959	0	52	0.0	-105.58	427.01	13.54	-92.04
COC(=O)C1=CN(C)C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)=C1	REAL300012029960	0	50	0.0	-104.40	417.37	12.33	-92.07
CCCN1N=C(C)C=C1C[NH2+]CC1=CC=CC(C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300012029961	0	52	0.0	-100.42	416.59	12.08	-88.34
CN1C=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)C(C2CCC2)=N1	REAL300012029962	0	53	0.0	-98.27	426.64	12.64	-85.63
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC(C3=CC=CC(C(=O)[O-])=C3)=C2)O1	REAL300012029963	1	51	0.0	-96.11	414.64	9.71	-86.40
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1	REAL300012029964	0	46	0.0	-78.26	351.17	11.75	-66.51
CC1=CC=C(C)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012029965	0	46	0.0	-78.52	351.05	11.75	-66.77
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012029966	0	45	0.0	-89.60	355.98	10.82	-78.78
CC(C)(C)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012029967	0	52	0.0	-79.76	391.04	12.78	-66.98
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012029968	0	47	0.0	-82.13	367.15	10.45	-71.68
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Br)O1	REAL300012029969	0	37	0.0	-83.83	317.32	9.32	-74.51
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012029970	0	50	0.0	-87.37	393.27	12.26	-75.11
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1OC(F)F	REAL300012029971	0	48	0.0	-89.02	383.36	9.93	-79.09
CCOC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1OC	REAL300012029972	0	51	0.0	-87.28	395.48	10.56	-76.72
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012029973	0	54	0.0	-74.79	424.89	13.79	-61.00
CCCCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012029974	0	56	0.0	-83.02	430.69	13.04	-69.98
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012029975	0	49	0.0	-89.67	403.32	13.01	-76.66
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012029976	0	49	0.0	-91.77	403.30	13.01	-78.76
CC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1C	REAL300012029977	0	46	0.0	-78.57	346.65	11.62	-66.95
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C	REAL300012029978	0	46	0.0	-79.69	353.27	11.66	-68.03
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1Br	REAL300012029979	0	44	0.0	-86.75	364.80	10.41	-76.34
CC(C)OC1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012029980	0	50	0.0	-74.18	382.76	11.39	-62.79
CCCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OC	REAL300012029981	0	57	0.0	-87.18	438.47	12.14	-75.04
CCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OC	REAL300012029982	0	54	0.0	-87.05	416.96	11.37	-75.68
C=CCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OC	REAL300012029983	0	52	0.0	-87.58	408.36	11.15	-76.43
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012029984	0	47	0.0	-84.24	391.84	12.86	-71.38
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012029985	0	47	0.0	-81.81	392.00	12.90	-68.91
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012029986	0	47	0.0	-82.70	399.43	13.75	-68.95
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012029987	0	50	0.0	-85.51	399.12	12.12	-73.39
CCC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C2=CC=CC=C2O1	REAL300012029988	0	49	0.0	-82.49	380.13	12.40	-70.09
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012029989	0	49	0.0	-85.44	399.27	13.63	-71.81
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012029990	0	46	0.0	-81.99	386.12	11.31	-70.68
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012029991	0	44	0.0	-79.45	359.62	10.31	-69.14
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012029992	0	44	0.0	-86.90	371.24	11.92	-74.98
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C([N+](=O)[O-])C=C1O	REAL300012029993	0	47	0.0	-86.47	372.65	8.06	-78.41
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(Cl)=C1	REAL300012029994	0	44	0.0	-76.85	356.27	10.22	-66.63
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012029995	0	44	0.0	-86.95	360.84	10.25	-76.70
N#CC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012029996	0	41	0.0	-91.75	335.73	10.83	-80.92
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012029997	0	47	0.0	-85.62	374.37	10.52	-75.10
CC1=CC=C(C2=NNC=C2C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012029998	0	50	0.0	-81.92	385.39	10.95	-70.97
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012029999	0	44	0.0	-79.56	356.62	9.50	-70.06
COC1=CC=C(C2=NNC=C2C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030000	0	51	0.0	-83.76	396.66	9.75	-74.01
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC2=CC=CC=C12	REAL300012030001	0	43	0.0	-83.16	351.76	11.83	-71.33
CCOC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=NN1CC(C)C	REAL300012030002	0	59	0.0	-78.28	452.78	11.10	-67.18
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012030003	0	46	0.0	-85.34	360.94	10.93	-74.41
CC1=CC=C(C2=CC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)O2)C=C1	REAL300012030004	0	50	0.0	-82.72	396.52	13.02	-69.70
CC1=CC=C(C2=NNC=C2C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)O1	REAL300012030005	0	47	0.0	-78.79	376.09	9.56	-69.23
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012030006	0	46	0.0	-82.94	358.90	8.49	-74.45
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012030007	0	55	0.0	-86.00	423.16	11.07	-74.93
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)S1	REAL300012030008	0	37	0.0	-82.81	322.12	10.18	-72.63
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012030009	0	47	0.0	-83.28	389.11	13.30	-69.98
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012030010	0	45	0.0	-75.17	354.81	10.96	-64.21
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012030011	0	53	0.0	-80.02	417.43	12.10	-67.92
COC1=NC2=CC=CC=C2C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030012	0	49	0.0	-83.80	385.89	9.44	-74.36
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012030013	0	47	0.0	-90.03	373.23	11.65	-78.38
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012030014	0	46	0.0	-93.20	368.16	12.97	-80.23
CC(C)N1N=CC2=CC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=C(Cl)N=C21	REAL300012030015	0	51	0.0	-86.78	413.79	11.56	-75.22
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012030016	0	47	0.0	-81.40	399.61	13.76	-67.64
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012030017	0	47	0.0	-82.35	392.06	13.41	-68.94
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(F)=CC=C1F	REAL300012030018	0	40	0.0	-80.50	325.94	10.57	-69.93
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012030019	0	43	0.0	-78.48	365.51	11.92	-66.56
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012030020	0	40	0.0	-79.86	333.19	11.00	-68.86
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012030021	0	40	0.0	-90.19	337.47	11.00	-79.19
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012030022	0	43	0.0	-93.58	359.18	11.51	-82.07
CCOC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030023	0	47	0.0	-81.45	366.23	10.67	-70.78
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1F	REAL300012030024	0	43	0.0	-84.93	341.58	11.16	-73.77
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012030025	0	40	0.0	-77.51	343.48	11.45	-66.06
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012030026	0	43	0.0	-78.99	348.43	11.43	-67.56
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012030027	0	40	0.0	-97.00	333.87	10.64	-86.36
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012030028	0	43	0.0	-90.66	360.35	11.53	-79.13
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012030029	0	43	0.0	-81.29	358.11	11.50	-69.79
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(Cl)=C1OC	REAL300012030030	0	48	0.0	-81.47	389.47	10.23	-71.24
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012030031	0	43	0.0	-82.01	352.26	11.99	-70.02
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012030032	0	40	0.0	-90.34	337.47	11.01	-79.33
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012030033	0	44	0.0	-82.30	369.39	10.60	-71.70
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012030034	0	47	0.0	-82.49	399.44	13.74	-68.75
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012030035	0	50	0.0	-88.44	390.05	8.94	-79.50
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CN=C1Cl	REAL300012030036	0	39	0.0	-80.24	321.83	9.08	-71.16
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012030037	0	53	0.0	-87.08	421.02	11.95	-75.13
CC(C)C1=NN(C)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030038	0	49	0.0	-84.39	380.05	10.10	-74.29
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030039	0	49	0.0	-79.31	394.95	10.41	-68.90
COCCOC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030040	0	51	0.0	-82.91	399.86	9.94	-72.97
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1Cl	REAL300012030041	0	44	0.0	-86.97	360.41	10.29	-76.68
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012030042	1	45	0.0	-82.22	375.13	9.38	-72.84
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030043	0	52	0.0	-85.12	396.26	12.03	-73.09
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300012030044	0	56	0.0	-91.38	433.04	10.35	-81.03
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012030045	0	47	0.0	-84.46	385.81	11.13	-73.33
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012030046	0	46	0.0	-79.21	357.86	9.65	-69.56
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012030047	0	49	0.0	-80.44	376.34	10.46	-69.98
CCCN1C2=CC=CC=C2N=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030048	0	52	0.0	-84.09	400.79	12.53	-71.56
CCCOC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030049	0	50	0.0	-81.35	387.73	11.47	-69.88
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012030050	0	47	0.0	-81.95	380.93	13.04	-68.91
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012030051	0	54	0.0	-81.08	409.39	12.68	-68.40
CC(C)OC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030052	0	50	0.0	-81.19	384.37	11.32	-69.87
CC1=CC=C(C2=NC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CS2)C=C1	REAL300012030053	0	49	0.0	-79.34	401.13	11.92	-67.42
CC(C)C1=NC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CS1	REAL300012030054	1	45	0.0	-77.50	362.65	9.48	-68.02
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012030055	1	50	0.0	-82.03	411.31	10.75	-71.28
CC(C)(C)C1=NC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CS1	REAL300012030056	1	48	0.0	-76.56	381.59	9.99	-66.57
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012030057	0	43	0.0	-79.90	370.76	10.18	-69.72
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012030058	0	47	0.0	-83.41	389.12	13.30	-70.11
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030059	0	54	0.0	-76.90	421.01	11.31	-65.59
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012030060	0	54	0.0	-73.76	407.51	12.73	-61.03
CC1=CC=C(C2=CC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)S2)C=C1	REAL300012030061	0	50	0.0	-81.24	404.11	13.91	-67.33
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012030062	0	46	0.0	-91.35	380.86	10.75	-80.60
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030063	0	44	0.0	-83.43	377.27	10.90	-72.53
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012030064	0	40	0.0	-77.46	348.05	11.55	-65.91
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012030065	0	40	0.0	-76.58	347.03	11.56	-65.02
CCOC1=C(OC)C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OC	REAL300012030066	0	55	0.0	-91.75	428.63	10.51	-81.24
COCCCOC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030067	0	54	0.0	-82.98	421.41	10.54	-72.44
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CN=C1Cl	REAL300012030068	0	42	0.0	-90.75	345.35	9.68	-81.07
COC1=CC=C(OC(F)F)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030069	0	48	0.0	-81.49	382.29	9.37	-72.12
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012030070	0	44	0.0	-74.04	366.86	10.50	-63.54
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1OC1=CC=CN=C1	REAL300012030071	0	53	0.0	-85.88	418.35	12.21	-73.67
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)S2)C=C1	REAL300012030072	0	49	0.0	-83.41	401.29	12.16	-71.25
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012030073	0	45	0.0	-76.39	371.48	11.47	-64.92
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012030074	0	45	0.0	-80.12	360.42	11.00	-69.12
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012030075	0	45	0.0	-77.65	361.18	11.04	-66.61
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012030076	0	45	0.0	-79.28	369.26	11.39	-67.89
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012030077	0	47	0.0	-83.57	389.61	12.51	-71.06
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)O1	REAL300012030078	0	50	0.0	-84.24	402.03	13.09	-71.15
CCC1=CC=C(C2=CC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)O2)C=C1	REAL300012030079	0	53	0.0	-82.57	418.00	13.79	-68.78
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(OC(F)F)=C1	REAL300012030080	0	48	0.0	-84.80	382.29	9.38	-75.42
COC1=CC=C2OC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CC2=C1	REAL300012030081	0	47	0.0	-85.90	372.23	10.26	-75.64
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012030082	0	44	0.0	-84.94	362.64	12.27	-72.67
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C2=CC=CC=C2O1	REAL300012030083	0	46	0.0	-83.83	362.27	11.57	-72.26
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=COC2=CC=CC=C12	REAL300012030084	0	43	0.0	-84.72	342.78	10.82	-73.90
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012030085	0	48	0.0	-86.62	381.42	12.15	-74.47
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1Br	REAL300012030086	0	43	0.0	-83.56	354.35	11.64	-71.92
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012030087	0	44	0.0	-86.67	357.84	11.85	-74.82
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1Br	REAL300012030088	0	43	0.0	-85.30	354.35	11.64	-73.66
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012030089	1	47	0.0	-81.55	373.76	11.57	-69.98
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(Cl)SC=C1	REAL300012030090	0	37	0.0	-75.47	319.02	10.00	-65.47
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012030091	0	45	0.0	-78.29	367.38	10.80	-67.49
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012030092	0	44	0.0	-88.52	353.28	10.47	-78.05
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012030093	0	44	0.0	-89.43	353.18	10.47	-78.96
CCOC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=N1	REAL300012030094	0	46	0.0	-81.83	363.89	8.04	-73.79
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC2=CC=CN=C12	REAL300012030095	0	48	0.0	-89.05	376.09	11.64	-77.41
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1Cl	REAL300012030096	0	43	0.0	-85.20	350.32	11.55	-73.65
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012030097	0	42	0.0	-89.04	346.75	9.92	-79.12
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030098	0	60	0.0	-76.91	447.23	13.10	-63.81
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030099	0	60	0.0	-77.07	457.12	13.57	-63.50
CCCC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030100	0	49	0.0	-80.08	379.26	12.66	-67.42
CCN(CC)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1F	REAL300012030101	0	54	0.0	-86.56	414.13	11.51	-75.05
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C(SC)C=C1OC	REAL300012030102	0	52	0.0	-79.83	409.22	10.59	-69.24
COC1=CC=C2N=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)SC2=C1	REAL300012030103	0	46	0.0	-82.50	376.51	9.27	-73.23
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030104	0	46	0.0	-87.76	378.00	11.32	-76.44
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C#N	REAL300012030105	0	45	0.0	-96.00	364.59	10.16	-85.84
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012030106	0	44	0.0	-85.44	364.66	11.72	-73.72
CC1=CC(Cl)=CC(C)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030107	0	46	0.0	-82.88	364.90	12.01	-70.87
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012030108	0	44	0.0	-90.29	360.34	10.10	-80.19
CCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)N=C1	REAL300012030109	0	46	0.0	-80.93	361.28	8.82	-72.11
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030110	0	46	0.0	-86.52	368.82	12.10	-74.42
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC(Cl)=C1OC	REAL300012030111	0	48	0.0	-91.00	393.59	10.29	-80.71
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OCC(C)C	REAL300012030112	0	57	0.0	-86.69	437.08	12.04	-74.65
CCCOC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1OC	REAL300012030113	0	54	0.0	-87.07	416.97	11.36	-75.71
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Br)S1	REAL300012030114	0	37	0.0	-82.88	326.76	10.28	-72.60
CCOC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC(Cl)=C1OC	REAL300012030115	0	51	0.0	-91.04	415.44	11.21	-79.83
C=CCOC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030116	0	48	0.0	-81.65	379.14	11.26	-70.39
COC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1OC(C)C	REAL300012030117	0	54	0.0	-78.00	409.22	11.26	-66.74
CCOC1=C(Cl)C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OC	REAL300012030118	0	51	0.0	-90.84	415.44	11.25	-79.59
CCCOC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=CC=C1OCC	REAL300012030119	0	57	0.0	-75.38	434.13	12.46	-62.92
CCCCOC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1OC	REAL300012030120	0	57	0.0	-87.22	438.47	12.14	-75.08
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OC(F)F	REAL300012030121	0	48	0.0	-84.33	383.38	9.93	-74.40
CCOC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1OC(F)F	REAL300012030122	0	51	0.0	-88.98	405.22	10.85	-78.13
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC(C)=C1OC(F)F	REAL300012030123	0	50	0.0	-85.65	393.41	11.51	-74.14
CCOC1=CC2=C(C=C1C[NH2+]C1CCCC3=CC(C(=O)[O-])=CC=C31)OC(C)C2	REAL300012030124	0	55	0.0	-76.47	421.92	11.34	-65.13
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC2=C1OCCO2	REAL300012030125	0	50	0.0	-89.35	388.57	9.48	-79.87
CCCCN1N=C(C)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1Cl	REAL300012030126	0	52	0.0	-78.91	417.82	11.50	-67.41
CCOC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1OC(F)F	REAL300012030127	0	51	0.0	-72.38	395.61	11.01	-61.37
CC1=CC(C)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C	REAL300012030128	0	49	0.0	-78.31	368.07	12.28	-66.03
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012030129	0	47	0.0	-81.68	382.72	13.23	-68.45
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012030130	0	47	0.0	-85.31	389.82	12.53	-72.78
CC(C)(C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21)C1=CC=CC=C1	REAL300012030131	0	49	0.0	-79.55	362.97	12.17	-67.38
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2CCCCC2)=N1	REAL300012030132	0	56	0.0	-84.61	421.71	11.99	-72.62
CC1CCC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)CC1	REAL300012030133	0	49	0.0	-78.43	356.57	11.40	-67.03
CC(CCC1=CC=CC=C1)C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030134	0	52	0.0	-79.65	394.09	13.34	-66.31
CCC1CCCC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C1	REAL300012030135	0	52	0.0	-78.44	368.12	11.78	-66.66
CC1(C)CCC2=C(C1)SC(C[NH2+]C1CCCC3=CC(C(=O)[O-])=CC=C31)=N2	REAL300012030136	0	52	0.0	-77.40	399.09	11.12	-66.28
CCC1=CC=CC(Cl)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030137	0	46	0.0	-72.86	363.98	12.10	-60.76
CC1=C(C)C=C2OC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CC2=C1	REAL300012030138	0	49	0.0	-83.48	381.07	12.18	-71.30
CCCC1CCC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)CC1	REAL300012030139	0	55	0.0	-77.68	389.27	12.55	-65.13
CC1CCCCC1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030140	0	49	0.0	-78.30	353.07	11.25	-67.05
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012030141	0	47	0.0	-84.76	384.68	10.97	-73.79
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012030142	0	47	0.0	-91.56	370.80	12.84	-78.72
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012030143	0	47	0.0	-82.72	383.54	12.46	-70.26
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012030144	0	46	0.0	-88.27	375.35	10.15	-78.12
CCCCC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C2=CC=CC=C2O1	REAL300012030145	0	55	0.0	-83.24	423.12	13.95	-69.29
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012030146	0	53	0.0	-94.09	421.75	15.12	-78.97
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030147	0	53	0.0	-87.34	419.24	12.66	-74.68
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012030148	0	49	0.0	-89.84	393.76	10.93	-78.91
COC1=CC=C(C)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030149	0	47	0.0	-75.04	364.48	10.48	-64.56
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1F	REAL300012030150	0	44	0.0	-89.12	350.60	9.82	-79.30
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012030151	0	49	0.0	-81.76	366.08	11.47	-70.29
CC(C)C1CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)CCO1	REAL300012030152	0	53	0.0	-81.10	377.86	10.34	-70.76
CC1(C)CCC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)CC1	REAL300012030153	0	52	0.0	-79.51	370.06	11.68	-67.83
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012030154	0	47	0.0	-93.53	392.01	11.22	-82.31
CCSC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030155	0	47	0.0	-81.54	376.56	12.30	-69.24
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012030156	1	41	0.0	-79.00	346.04	8.19	-70.81
COC1(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)CCCCC1	REAL300012030157	0	50	0.0	-77.44	357.97	9.85	-67.59
CCN1N=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C2=CC=CC=C21	REAL300012030158	0	49	0.0	-81.59	386.64	11.24	-70.35
COCCC1(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)CCCCC1	REAL300012030159	0	56	0.0	-78.19	393.25	10.66	-67.53
CCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030160	0	50	0.0	-83.19	387.70	11.48	-71.71
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012030161	0	43	0.0	-83.64	342.76	10.98	-72.66
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012030162	0	47	0.0	-82.85	375.13	12.34	-70.51
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1OC(C)C	REAL300012030163	0	54	0.0	-86.91	413.42	11.18	-75.73
CCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OCC	REAL300012030164	0	57	0.0	-87.09	438.81	12.29	-74.80
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1[N+](=O)[O-]	REAL300012030165	0	45	0.0	-94.61	358.91	11.66	-82.95
CC(C)OC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030166	0	50	0.0	-83.12	384.32	11.33	-71.79
CCCCCCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030167	0	62	0.0	-82.87	473.69	14.61	-68.26
CC(C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21)CC1=CC=C(C(C)(C)C)C=C1	REAL300012030168	0	61	0.0	-80.81	447.99	14.83	-65.98
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1F	REAL300012030169	0	43	0.0	-86.65	341.58	11.15	-75.50
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012030170	0	44	0.0	-82.83	346.23	10.46	-72.37
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(Br)C=CS1	REAL300012030171	0	37	0.0	-74.62	324.53	10.10	-64.52
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012030172	0	53	0.0	-80.96	390.15	9.61	-71.35
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(F)=CC=C1Br	REAL300012030173	0	40	0.0	-77.33	336.67	11.11	-66.22
CC(C)CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030174	0	52	0.0	-79.66	395.99	13.13	-66.53
CC1=CC=C(C2=CC=CC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=C2)C=C1	REAL300012030175	0	53	0.0	-83.72	410.49	14.53	-69.19
COC1=CC=C(Br)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030176	0	44	0.0	-75.07	359.83	10.34	-64.73
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1[N+](=O)[O-]	REAL300012030177	0	46	0.0	-99.50	370.40	11.18	-88.32
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012030178	0	40	0.0	-86.81	348.33	11.47	-75.34
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012030179	0	40	0.0	-87.93	338.02	11.03	-76.90
CC1=CC=CC(C)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030180	0	46	0.0	-78.14	347.91	11.53	-66.61
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Br)=CO1	REAL300012030181	0	37	0.0	-83.39	317.32	9.22	-74.17
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030182	0	53	0.0	-82.40	412.39	14.58	-67.82
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012030183	0	44	0.0	-86.10	354.13	10.03	-76.07
CCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OCC	REAL300012030184	0	54	0.0	-87.20	417.31	11.49	-75.71
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012030185	0	40	0.0	-81.69	336.10	11.03	-70.66
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012030186	0	43	0.0	-92.26	366.75	11.87	-80.39
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)C=C1Br	REAL300012030187	0	40	0.0	-78.75	336.79	11.11	-67.64
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012030188	0	44	0.0	-86.49	360.87	10.24	-76.25
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012030189	0	40	0.0	-79.69	336.30	11.00	-68.69
COC1=CC=CC=C1C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030190	0	54	0.0	-83.67	423.05	13.52	-70.15
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012030191	0	40	0.0	-89.03	327.69	10.59	-78.44
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012030192	0	40	0.0	-82.53	335.72	11.00	-71.53
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C2=CC=CC=C12	REAL300012030193	0	50	0.0	-84.43	384.19	11.92	-72.51
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012030194	0	47	0.0	-81.70	369.31	10.57	-71.13
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012030194	1	47	0.0	-75.47	371.95	10.52	-64.95
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(F)=C1F	REAL300012030195	0	40	0.0	-83.84	325.82	10.56	-73.28
CN1C2=CC=CC=C2N=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030196	0	46	0.0	-86.28	362.12	10.81	-75.47
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300012030197	0	43	0.0	-87.97	341.92	7.14	-80.83
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C2OCCC2=C1	REAL300012030198	0	45	0.0	-85.28	350.77	10.30	-74.98
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC(Br)=C1	REAL300012030199	0	37	0.0	-84.17	326.51	10.13	-74.04
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012030200	0	50	0.0	-83.95	389.09	13.85	-70.10
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012030201	0	53	0.0	-76.54	419.69	12.02	-64.52
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012030202	0	51	0.0	-85.56	388.81	10.36	-75.20
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012030203	0	44	0.0	-78.96	346.04	10.47	-68.49
CC1=CC(F)=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030204	0	43	0.0	-84.51	336.17	11.15	-73.36
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012030205	0	40	0.0	-90.40	341.88	11.11	-79.29
CC1=NC(C)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030206	0	42	0.0	-81.40	340.58	8.93	-72.47
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012030207	0	49	0.0	-81.49	386.58	12.33	-69.16
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012030208	0	49	0.0	-85.81	384.10	12.09	-73.72
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012030209	0	49	0.0	-87.78	384.30	12.10	-75.68
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030210	0	55	0.0	-82.64	408.63	11.00	-71.64
CN1CCN(C2=CC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)C=C2)CC1	REAL300012030211	1	57	0.0	-81.82	424.09	9.16	-72.66
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012030212	0	49	0.0	-88.87	396.22	8.97	-79.90
CNC(=O)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030213	0	47	0.0	-93.22	371.31	8.74	-84.48
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012030214	0	47	0.0	-89.81	380.12	11.74	-78.07
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012030215	0	47	0.0	-89.21	390.44	12.19	-77.02
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012030216	0	47	0.0	-87.09	385.77	11.15	-75.94
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012030217	0	46	0.0	-83.78	360.97	12.71	-71.07
COC1=C2OC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CC2=CC=C1	REAL300012030218	0	47	0.0	-86.05	372.25	10.27	-75.78
CC(C)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1[N+](=O)[O-]	REAL300012030219	0	51	0.0	-94.77	397.06	12.58	-82.19
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030220	0	56	0.0	-84.34	437.06	13.05	-71.29
CCOC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1OCC(C)C	REAL300012030221	0	60	0.0	-86.71	458.91	12.97	-73.74
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Br)=CC=C1F	REAL300012030222	0	40	0.0	-79.68	340.89	11.11	-68.57
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Br)C=C1F	REAL300012030223	0	40	0.0	-81.78	340.67	11.13	-70.65
COC1=CC(OC)=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030224	0	48	0.0	-82.61	373.86	9.06	-73.55
COC1=CC2=CC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)C=C2C=C1	REAL300012030225	0	50	0.0	-87.11	390.32	12.01	-75.10
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Br)=CS1	REAL300012030227	0	37	0.0	-81.62	326.58	10.18	-71.44
CCCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OCC	REAL300012030228	0	60	0.0	-87.13	460.33	13.06	-74.07
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030229	0	53	0.0	-86.02	412.89	12.60	-73.42
COC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1OC(F)F	REAL300012030230	0	48	0.0	-72.58	373.83	10.09	-62.49
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012030231	0	44	0.0	-83.31	375.40	11.03	-72.28
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012030232	0	46	0.0	-80.76	365.20	9.50	-71.26
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012030234	0	40	0.0	-90.10	341.88	11.10	-79.00
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012030235	0	55	0.0	-80.70	407.81	11.74	-68.96
CCCCCCOC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030236	0	59	0.0	-81.08	452.23	13.81	-67.27
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1SC	REAL300012030237	0	48	0.0	-87.48	383.79	10.79	-76.69
N#CCCCOC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030238	0	51	0.0	-88.29	408.59	11.99	-76.30
CCCCCOC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1OC	REAL300012030239	0	60	0.0	-87.13	459.97	12.92	-74.21
CCC(C)OC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1OC	REAL300012030240	0	57	0.0	-87.06	433.91	11.99	-75.07
CCCCCCCOC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030241	0	62	0.0	-81.03	473.73	14.59	-66.44
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OCCCC#N	REAL300012030242	0	55	0.0	-98.49	437.83	11.88	-86.61
C=C(C)COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1OC	REAL300012030243	0	55	0.0	-88.10	427.76	11.92	-76.18
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OCCC(C)C	REAL300012030244	0	60	0.0	-87.19	456.04	12.67	-74.52
C=CCC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC(OC)=C1O	REAL300012030245	0	52	0.0	-87.79	409.75	9.59	-78.20
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012030246	0	47	0.0	-90.56	374.27	10.37	-80.19
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030247	0	49	0.0	-85.55	392.95	11.41	-74.14
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030248	0	50	0.0	-84.29	413.49	9.01	-75.28
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012030249	1	46	0.0	-87.53	367.78	10.28	-77.25
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012030250	0	46	0.0	-81.16	378.01	11.22	-69.94
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012030251	0	53	0.0	-88.54	408.91	9.59	-78.95
CN1C=NC2=CC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CC=C21	REAL300012030252	0	46	0.0	-86.27	363.25	11.79	-74.48
CCN1N=C(C)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1C	REAL300012030253	0	49	0.0	-83.24	378.58	10.11	-73.13
C=CCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1Cl	REAL300012030254	0	48	0.0	-87.21	395.15	11.81	-75.40
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012030255	0	46	0.0	-83.80	379.89	11.48	-72.32
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C2OC(C)CC2=C1	REAL300012030256	0	52	0.0	-78.33	401.08	10.31	-68.02
CC1(C)CC2=CC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CC=C2O1	REAL300012030257	0	51	0.0	-85.19	392.26	11.69	-73.50
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012030258	1	46	0.0	-82.95	371.52	8.88	-74.07
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012030259	1	43	0.0	-80.28	371.35	10.28	-70.00
CC1=CC=CC(C2=NNC=C2C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030260	0	50	0.0	-82.14	385.35	10.94	-71.20
CC1=CC=C(F)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030261	0	43	0.0	-76.56	340.78	11.18	-65.38
CC1=CC=C(F)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030262	0	43	0.0	-82.42	336.17	11.15	-71.27
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012030263	0	43	0.0	-89.65	370.67	11.98	-77.67
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012030264	0	40	0.0	-79.10	348.08	11.54	-67.56
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(Br)=C1	REAL300012030265	0	43	0.0	-73.30	351.80	11.71	-61.59
CC(C)COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030266	0	53	0.0	-82.98	407.80	12.18	-70.80
COCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030267	0	51	0.0	-85.16	399.82	9.95	-75.21
CC1(C)CCCC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C1	REAL300012030268	0	52	0.0	-79.30	370.06	11.67	-67.63
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012030269	0	44	0.0	-88.43	370.14	10.58	-77.85
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1Cl	REAL300012030270	0	50	0.0	-76.12	405.73	12.01	-64.11
CC1=CCCC(C)C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030271	0	50	0.0	-77.96	355.25	11.47	-66.49
COC1=CC2=C(C=C1C[NH2+]C1CCCC3=CC(C(=O)[O-])=CC=C31)OCO2	REAL300012030272	0	47	0.0	-81.33	368.91	8.47	-72.86
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012030273	0	45	0.0	-83.39	351.23	10.82	-72.57
CC(C)COC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030274	0	53	0.0	-81.07	407.84	12.17	-68.90
CC1=CC(Cl)=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030275	0	43	0.0	-83.28	346.50	11.59	-71.69
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012030276	0	44	0.0	-85.96	352.32	11.82	-74.14
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)N=C1	REAL300012030277	0	39	0.0	-90.94	326.59	9.08	-81.86
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=CC(Br)=C1	REAL300012030278	0	39	0.0	-87.71	331.04	9.26	-78.45
CN1N=NC2=CC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CC=C21	REAL300012030279	0	45	0.0	-94.42	358.86	8.90	-85.52
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1CCCCCC1	REAL300012030280	0	49	0.0	-78.91	347.17	11.24	-67.67
CC1(C)CC2=CC=CC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=C2O1	REAL300012030281	0	51	0.0	-75.05	392.14	11.67	-63.38
COC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=N1	REAL300012030282	0	43	0.0	-81.94	342.04	7.11	-74.83
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2=CC=CC=C2)=N1	REAL300012030283	0	50	0.0	-81.93	390.92	11.76	-70.17
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012030284	0	47	0.0	-83.91	373.27	11.65	-72.26
CC(C)N1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300012030285	0	46	0.0	-83.28	357.90	9.65	-73.63
CC1=C(Br)SC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030286	0	40	0.0	-82.82	346.36	10.89	-71.93
CC1=NC2=CC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)C=C2C=C1	REAL300012030287	0	48	0.0	-89.72	377.56	11.43	-78.29
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012030288	0	42	0.0	-70.70	338.87	9.53	-61.17
CC1=CC(C2=CC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)C=C2)=CC(C)=C1	REAL300012030289	0	56	0.0	-83.87	431.86	15.20	-68.67
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1N1C=NC=N1	REAL300012030290	0	49	0.0	-92.39	383.74	13.89	-78.50
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012030291	0	43	0.0	-86.83	349.17	11.05	-75.78
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012030292	0	47	0.0	-88.30	379.21	11.00	-77.30
COCC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030293	0	47	0.0	-82.00	369.94	10.17	-71.83
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030294	0	50	0.0	-88.95	410.00	12.78	-76.17
CCCCOC1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030295	0	53	0.0	-74.76	407.98	12.32	-62.44
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012030296	0	51	0.0	-87.51	415.47	14.56	-72.95
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C(OC(F)F)C=C1C	REAL300012030297	0	50	0.0	-79.86	391.05	11.29	-68.57
COC1=CC(C)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OC	REAL300012030298	0	51	0.0	-85.51	388.36	10.27	-75.24
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030299	0	46	0.0	-89.03	378.94	11.33	-77.70
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012030301	0	44	0.0	-82.58	355.78	9.40	-73.18
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012030302	0	50	0.0	-87.89	405.54	12.18	-75.71
CC1CCC2=C(C1)SC(C[NH2+]C1CCCC3=CC(C(=O)[O-])=CC=C31)=N2	REAL300012030303	0	49	0.0	-77.58	384.18	10.81	-66.77
CC(C)(C)C1CCC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)CC1	REAL300012030304	0	58	0.0	-78.44	404.53	12.78	-65.66
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030305	0	54	0.0	-78.33	417.20	13.22	-65.11
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030306	0	54	0.0	-77.91	416.95	13.23	-64.68
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030307	0	53	0.0	-81.83	412.21	11.48	-70.35
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012030308	0	51	0.0	-83.43	397.90	12.25	-71.18
COC1=CC(Cl)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1Cl	REAL300012030309	0	44	0.0	-80.04	372.26	10.78	-69.26
CC(C)CC1=NC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030310	0	48	0.0	-81.54	382.71	10.63	-70.91
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012030311	0	43	0.0	-83.45	371.78	10.55	-72.90
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012030312	0	43	0.0	-83.75	371.02	10.42	-73.33
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)S2)O1	REAL300012030313	0	46	0.0	-85.57	384.60	10.38	-75.19
CC1=CC(Br)=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030314	0	43	0.0	-83.47	351.06	11.69	-71.78
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012030315	0	40	0.0	-88.79	351.00	11.52	-77.27
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012030316	0	47	0.0	-89.06	377.78	10.38	-78.68
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012030317	0	49	0.0	-83.96	388.74	12.16	-71.80
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012030318	0	43	0.0	-80.32	359.00	11.40	-68.92
COCCOC1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030319	0	51	0.0	-74.29	398.61	10.00	-64.29
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012030320	0	40	0.0	-77.84	347.12	11.56	-66.28
COC1=C(Br)C=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030321	0	44	0.0	-81.91	364.93	10.51	-71.40
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NC2=C(CCC2)S1	REAL300012030322	0	43	0.0	-78.72	345.49	9.61	-69.11
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2=CC=CS2)=N1	REAL300012030323	0	47	0.0	-76.42	379.90	10.85	-65.57
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012030324	0	54	0.0	-76.91	424.34	13.22	-63.69
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030325	0	44	0.0	-83.50	344.34	9.76	-73.74
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012030326	0	47	0.0	-84.83	381.52	12.41	-72.42
CC(C)(C)C1=NC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030327	0	48	0.0	-81.43	381.70	10.24	-71.19
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012030328	0	46	0.0	-85.75	359.35	9.61	-76.14
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(Br)=C1	REAL300012030329	0	40	0.0	-83.85	336.17	11.06	-72.79
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(Cl)=C1	REAL300012030330	0	40	0.0	-83.80	331.60	10.96	-72.84
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012030331	0	47	0.0	-87.68	373.70	11.66	-76.02
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012030332	0	50	0.0	-86.62	411.74	12.60	-74.02
CC(C)(C)N1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300012030333	0	49	0.0	-82.88	377.66	10.27	-72.61
CC1=CC(C)=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030334	0	46	0.0	-79.97	357.69	11.77	-68.20
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(CO)O1	REAL300012030335	0	41	0.0	-82.54	328.93	6.07	-76.47
CC(=O)NC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030336	0	47	0.0	-86.82	370.66	9.37	-77.45
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1Cl	REAL300012030337	0	40	0.0	-75.84	327.61	10.91	-64.93
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012030338	0	42	0.0	-95.81	343.09	11.12	-84.69
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012030339	0	42	0.0	-98.95	343.06	11.13	-87.82
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012030340	0	46	0.0	-81.48	355.86	12.57	-68.91
CN(C)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030341	0	48	0.0	-79.75	367.35	10.88	-68.87
CCN(CC)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030342	0	54	0.0	-78.74	409.97	12.76	-65.98
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Br)C=C1	REAL300012030343	0	40	0.0	-85.57	336.13	11.08	-74.49
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)C=C1	REAL300012030344	0	40	0.0	-85.34	331.57	10.98	-74.36
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC(OC)=C1OC	REAL300012030345	0	52	0.0	-92.08	406.77	9.57	-82.51
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012030346	0	40	0.0	-71.22	334.24	10.89	-60.33
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012030347	0	44	0.0	-80.96	352.88	10.09	-70.87
COC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1OC	REAL300012030348	0	48	0.0	-79.95	373.73	9.72	-70.23
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012030349	0	40	0.0	-78.93	343.51	11.44	-67.49
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012030350	0	53	0.0	-82.93	398.87	9.29	-73.64
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OC	REAL300012030351	0	48	0.0	-87.34	373.62	9.64	-77.70
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(OC)=C1	REAL300012030352	0	48	0.0	-78.30	372.54	9.10	-69.20
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012030353	0	43	0.0	-88.75	353.61	11.45	-77.30
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)C=C1F	REAL300012030354	0	40	0.0	-82.61	325.76	10.58	-72.03
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012030355	0	40	0.0	-80.40	342.75	11.37	-69.03
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012030356	0	40	0.0	-88.90	346.79	11.41	-77.49
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012030357	0	44	0.0	-85.74	354.09	10.04	-75.70
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012030358	0	43	0.0	-75.21	341.54	11.36	-63.85
CCCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030359	0	53	0.0	-83.15	409.19	12.26	-70.89
CC(C)CCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030360	0	56	0.0	-83.09	426.79	12.77	-70.32
CCCCCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030361	0	59	0.0	-82.94	452.19	13.83	-69.11
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012030362	0	51	0.0	-83.87	404.53	13.34	-70.53
CCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(OCCC)=C1	REAL300012030363	0	60	0.0	-77.54	459.24	12.56	-64.98
COC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030364	0	44	0.0	-81.68	344.38	9.74	-71.94
CC(=CC1=CC=CC=C1)C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030365	0	47	0.0	-81.28	362.78	12.22	-69.06
CCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OC	REAL300012030366	0	51	0.0	-87.23	395.46	10.57	-76.66
CC(C)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030367	0	49	0.0	-79.89	375.06	12.39	-67.50
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012030368	0	43	0.0	-86.52	353.93	11.46	-75.06
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(OC)=C1OC	REAL300012030369	0	52	0.0	-85.09	401.84	9.46	-75.63
CCOC1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030370	0	47	0.0	-74.63	364.98	10.74	-63.89
CCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030371	0	47	0.0	-83.24	366.20	10.68	-72.56
COC1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030372	0	44	0.0	-75.16	343.13	9.81	-65.35
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)SC=C1	REAL300012030373	0	40	0.0	-77.13	323.55	10.14	-66.99
COC1=CC=C(Br)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030374	0	44	0.0	-76.80	364.21	10.43	-66.37
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012030375	0	50	0.0	-83.54	389.09	13.86	-69.68
COC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C2=CC=CC=C2C=C1	REAL300012030376	0	50	0.0	-74.77	385.24	11.94	-62.83
N#CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030377	0	41	0.0	-93.40	335.69	10.85	-82.55
CSC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030378	0	44	0.0	-84.09	355.05	11.48	-72.61
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012030379	0	40	0.0	-69.59	342.98	11.27	-58.32
COC1=CC(OC)=C(OC)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030380	0	52	0.0	-81.31	401.74	9.01	-72.30
CCC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030381	0	46	0.0	-79.92	357.73	11.90	-68.02
CC1=CC(C)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1	REAL300012030382	0	49	0.0	-78.13	369.59	12.17	-65.96
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(F)C=CC=C1F	REAL300012030383	0	40	0.0	-72.99	325.50	10.50	-62.49
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012030384	0	40	0.0	-92.01	327.58	10.57	-81.44
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030385	0	50	0.0	-82.53	409.23	12.47	-70.06
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012030386	0	54	0.0	-82.56	426.14	13.73	-68.83
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030387	0	40	0.0	-77.86	326.97	10.36	-67.50
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1Br	REAL300012030388	0	40	0.0	-75.17	331.17	11.01	-64.16
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1O	REAL300012030389	0	45	0.0	-86.68	355.14	7.58	-79.10
CC1=NN(C)C(C)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030390	0	46	0.0	-83.51	355.72	9.19	-74.32
CC1=NN(C)C(Cl)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030391	0	43	0.0	-80.01	354.08	9.13	-70.88
CCC1=NN(C)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030392	0	46	0.0	-84.50	358.74	9.59	-74.91
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012030393	0	43	0.0	-90.28	357.11	9.63	-80.65
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C(C)(C)C)=N1	REAL300012030394	0	52	0.0	-81.55	382.28	10.48	-71.07
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)O1	REAL300012030395	0	37	0.0	-83.97	312.68	9.21	-74.76
CN(CCC#N)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030396	0	52	0.0	-84.65	409.02	12.31	-72.34
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012030397	0	50	0.0	-80.36	394.97	12.23	-68.13
CCOC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1OC	REAL300012030398	0	51	0.0	-76.37	390.76	10.72	-65.65
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OCC(N)=O	REAL300012030399	0	52	0.0	-101.71	412.21	7.60	-94.11
C#CCOC1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030400	0	46	0.0	-75.34	370.77	11.29	-64.05
CC1=NOC(C)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030401	0	42	0.0	-87.30	332.29	9.26	-78.04
CC1=NC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CS1	REAL300012030402	1	39	0.0	-77.71	321.42	8.16	-69.55
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC2=C1OCO2	REAL300012030403	0	47	0.0	-92.89	370.44	8.40	-84.49
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012030404	1	46	0.0	-85.93	369.29	10.24	-75.69
COC1=CC2=C(C=C1C[NH2+]C1CCCC3=CC(C(=O)[O-])=CC=C31)OC(C)C2	REAL300012030405	0	52	0.0	-77.04	400.02	10.40	-66.64
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C	REAL300012030407	0	47	0.0	-83.21	364.44	10.50	-72.71
CC(C)(C)C1=NNC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030408	0	49	0.0	-81.29	358.41	9.15	-72.14
COC1=CC=CC(OC)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030409	0	48	0.0	-69.23	371.20	9.17	-60.06
COC1=CC=C(F)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030410	0	44	0.0	-78.10	349.13	9.77	-68.33
CSC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030411	0	41	0.0	-81.48	348.39	10.78	-70.70
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030412	0	53	0.0	-72.69	404.20	14.29	-58.40
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=C1OCO2	REAL300012030413	0	43	0.0	-80.47	340.78	9.11	-71.36
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(Cl)C=CS1	REAL300012030414	0	37	0.0	-74.92	320.37	10.01	-64.91
CS(=O)(=O)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030415	0	46	0.0	-94.49	375.54	7.98	-86.51
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012030416	0	50	0.0	-84.83	405.78	14.39	-70.44
COC1=CC=C(F)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030417	0	44	0.0	-77.92	349.32	9.89	-68.03
NC(=O)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030418	0	44	0.0	-93.13	349.38	7.24	-85.89
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1F	REAL300012030419	0	44	0.0	-90.87	350.60	9.81	-81.06
COC1=CC=C(Cl)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030420	0	44	0.0	-76.86	359.63	10.33	-66.53
COC(=O)C1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CN1C	REAL300012030421	0	47	0.0	-87.44	374.28	10.64	-76.80
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1Cl	REAL300012030422	0	43	0.0	-83.61	350.32	11.55	-72.06
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1C	REAL300012030423	0	47	0.0	-83.23	364.43	10.50	-72.73
CC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1F	REAL300012030424	0	43	0.0	-77.75	340.77	11.12	-66.63
N#CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(F)=C1	REAL300012030425	0	41	0.0	-89.34	340.16	10.89	-78.45
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012030426	0	53	0.0	-85.12	418.91	12.03	-73.09
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Br)C=N1	REAL300012030427	0	39	0.0	-82.78	331.17	9.22	-73.56
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012030428	0	49	0.0	-84.21	388.53	7.77	-76.44
C#CCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030429	0	49	0.0	-84.12	393.48	12.01	-72.11
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012030430	0	43	0.0	-80.26	341.86	10.96	-69.30
CC1=NN(C)C2=NC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)C=C12	REAL300012030431	0	48	0.0	-95.08	381.13	10.18	-84.90
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC(C2CC2)=N1	REAL300012030432	1	43	0.0	-77.88	351.32	9.67	-68.21
CCC1=NC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CS1	REAL300012030433	1	42	0.0	-77.64	342.92	8.92	-68.72
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012030434	0	43	0.0	-81.29	358.58	11.46	-69.83
CCOCC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1OC	REAL300012030435	0	54	0.0	-81.15	418.46	10.66	-70.49
NC(=O)C1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030436	0	44	0.0	-86.78	349.42	7.22	-79.56
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012030437	1	43	0.0	-83.02	352.07	9.94	-73.08
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1CCCCCCC1	REAL300012030438	0	52	0.0	-78.90	357.44	11.64	-67.26
CC1=CSC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=N1	REAL300012030439	0	39	0.0	-78.38	321.44	8.19	-70.19
COC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1F	REAL300012030440	0	44	0.0	-80.91	349.74	9.78	-71.13
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(F)C=CC=C1Br	REAL300012030441	1	40	0.0	-70.37	338.28	10.97	-59.40
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C2CCCC2=C1	REAL300012030442	0	47	0.0	-80.45	360.37	12.36	-68.09
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC=C1Br	REAL300012030443	0	37	0.0	-75.83	323.23	9.96	-65.87
CC(C)COC1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030444	0	53	0.0	-74.76	406.58	12.23	-62.53
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012030445	0	46	0.0	-77.91	363.38	10.20	-67.71
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012030446	0	40	0.0	-87.88	342.59	11.14	-76.74
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012030447	0	45	0.0	-89.21	355.86	10.94	-78.27
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(F)=C1Br	REAL300012030448	0	40	0.0	-80.26	335.99	11.09	-69.17
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)SC=N1	REAL300012030449	0	39	0.0	-81.89	318.62	8.22	-73.67
COC1=CC(F)=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030450	0	44	0.0	-85.72	350.80	9.82	-75.90
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(Br)=C1F	REAL300012030451	0	40	0.0	-82.70	340.14	11.11	-71.59
CC(C)(C)C1=NC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300012030452	0	50	0.0	-88.33	386.50	10.40	-77.93
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=CS1	REAL300012030453	0	40	0.0	-79.47	322.01	10.16	-69.31
CS(=O)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030454	0	45	0.0	-93.76	367.05	9.05	-84.71
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012030455	0	50	0.0	-79.98	377.55	12.94	-67.04
N#CC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=N1	REAL300012030456	0	40	0.0	-90.47	330.83	8.92	-81.55
COC(=O)C1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CN1	REAL300012030457	0	44	0.0	-88.25	356.52	8.89	-79.36
COCC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)O1	REAL300012030458	0	44	0.0	-81.75	351.19	8.47	-73.28
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1OC	REAL300012030459	0	51	0.0	-85.80	390.97	10.43	-75.37
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012030460	0	37	0.0	-81.17	335.82	10.45	-70.72
CC1=NC(F)=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030461	0	42	0.0	-91.42	331.12	9.21	-82.21
COC1=CC(C)=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030462	0	47	0.0	-75.06	364.49	10.48	-64.58
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CS1	REAL300012030463	0	40	0.0	-80.14	326.72	10.20	-69.94
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012030464	0	39	0.0	-90.89	340.93	8.86	-82.03
CS(=O)(=O)C1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030465	0	46	0.0	-92.69	375.58	7.96	-84.73
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=CS1	REAL300012030466	0	37	0.0	-81.88	321.99	10.07	-71.81
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012030467	0	53	0.0	-79.84	399.04	13.67	-66.17
CC1=CC(Cl)=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030468	0	43	0.0	-83.75	353.02	11.62	-72.13
COCC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030469	0	47	0.0	-82.61	369.90	10.19	-72.42
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012030470	0	47	0.0	-76.54	371.23	12.07	-64.47
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012030471	0	47	0.0	-80.68	364.08	12.56	-68.12
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NC=C(Cl)S1	REAL300012030472	1	36	0.0	-81.56	316.70	8.22	-73.34
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NN1C1CCCC1	REAL300012030473	0	50	0.0	-86.99	381.00	10.93	-76.06
COC1=CC2=CC=CC=C2C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030474	0	50	0.0	-78.65	388.55	12.09	-66.56
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012030475	0	43	0.0	-86.60	349.04	11.38	-75.22
COC1=CC(C)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=N1	REAL300012030476	0	49	0.0	-85.94	375.71	8.19	-77.75
COC1=CC=CC(Cl)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030477	0	44	0.0	-69.49	357.08	10.22	-59.27
CCC1=CC(OC)=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030478	0	50	0.0	-81.62	377.74	11.03	-70.59
CC1=NC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)N1C1=CC=CC=C1	REAL300012030479	0	50	0.0	-79.48	395.51	12.80	-66.68
CCCN1N=C(C)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1C	REAL300012030480	0	52	0.0	-83.15	400.07	10.86	-72.29
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012030481	0	45	0.0	-89.23	356.87	10.10	-79.13
COCCN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300012030482	0	47	0.0	-85.55	372.90	8.17	-77.38
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012030483	0	50	0.0	-80.02	380.63	13.04	-66.98
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC2=CC=CC=C21	REAL300012030484	0	50	0.0	-85.99	389.35	12.05	-73.94
CCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1F	REAL300012030485	0	47	0.0	-89.05	372.44	10.76	-78.29
COC1=CC=CC2=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)C=CC=C12	REAL300012030486	0	50	0.0	-84.47	384.26	11.92	-72.55
N#CC1=CSC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030487	0	38	0.0	-90.56	326.15	9.97	-80.59
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1C#N	REAL300012030488	0	45	0.0	-97.96	364.57	10.17	-87.79
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030489	0	50	0.0	-81.14	390.40	12.30	-68.84
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012030490	1	39	0.0	-84.82	340.21	8.77	-76.05
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1C#N	REAL300012030491	0	44	0.0	-93.88	354.88	11.34	-82.54
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012030492	0	47	0.0	-87.39	378.67	8.76	-78.63
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(Br)=C1	REAL300012030493	0	44	0.0	-75.77	359.87	10.33	-65.44
CC1=CN=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030494	0	39	0.0	-77.85	321.56	8.39	-69.46
CC(C)CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300012030495	0	49	0.0	-83.41	376.08	10.71	-72.70
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1C1CC1	REAL300012030496	0	47	0.0	-78.20	357.96	12.44	-65.76
CC1=CC(Br)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030497	0	40	0.0	-73.65	346.41	10.90	-62.75
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030498	0	55	0.0	-86.02	424.57	13.15	-72.87
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030499	0	50	0.0	-67.58	403.56	13.15	-54.43
CCC1=CN=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030500	0	42	0.0	-77.74	343.06	9.18	-68.56
CN1C(=O)CCC2=CC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CC=C21	REAL300012030501	0	51	0.0	-92.28	391.58	11.38	-80.90
CC1=CC=C(OC(F)F)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030502	0	47	0.0	-80.74	374.23	10.76	-69.98
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012030503	0	46	0.0	-84.67	396.61	12.00	-72.67
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012030504	0	46	0.0	-86.44	384.41	11.72	-74.72
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012030505	0	51	0.0	-76.38	413.14	12.85	-63.53
CC1=NN(C(C)C)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030506	0	49	0.0	-83.36	377.47	10.24	-73.12
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012030507	0	49	0.0	-81.30	386.78	11.08	-70.22
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C2CC2)S1	REAL300012030508	0	43	0.0	-81.83	352.78	10.09	-71.74
CC(C)C1=NC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030509	0	45	0.0	-81.71	363.83	9.77	-71.94
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012030510	0	43	0.0	-85.73	362.68	9.56	-76.17
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012030511	0	40	0.0	-88.99	351.00	11.52	-77.47
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012030512	0	52	0.0	-83.85	424.45	12.97	-70.88
CN1C=C(C2=CC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)C=C2)C=N1	REAL300012030513	0	50	0.0	-86.63	394.96	11.75	-74.88
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012030514	0	43	0.0	-86.43	352.21	9.41	-77.02
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012030515	0	51	0.0	-87.04	410.43	13.39	-73.65
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2=CC=C(F)C=C2)=N1	REAL300012030516	0	50	0.0	-84.20	393.41	11.64	-72.56
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2=CC=C(C#N)C=C2)=N1	REAL300012030517	0	51	0.0	-89.16	407.83	11.97	-77.19
CN(C)C(=O)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)N1	REAL300012030518	0	48	0.0	-96.42	372.25	8.64	-87.78
NC(=O)C1=CSC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030519	0	41	0.0	-86.73	341.22	6.33	-80.40
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300012030520	0	54	0.0	-84.64	425.46	13.76	-70.88
CCC1=NN(C)C(CC)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030521	0	52	0.0	-80.61	391.42	10.76	-69.85
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012030522	0	46	0.0	-81.54	369.42	10.57	-70.97
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012030523	0	47	0.0	-85.31	378.93	8.66	-76.65
CC1=CC=CC=C1N1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)N=N1	REAL300012030524	1	49	0.0	-85.37	388.95	11.18	-74.19
CN1N=C(Br)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030525	0	40	0.0	-91.53	337.19	8.52	-83.01
CN1C=C(C2=CC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)S2)C=N1	REAL300012030526	0	47	0.0	-84.77	388.83	11.14	-73.63
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012030527	0	52	0.0	-87.66	393.93	11.33	-76.33
CCOC1=C(Cl)C=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030528	0	47	0.0	-81.70	382.37	11.35	-70.35
CCC1=CC=CC(F)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030529	0	46	0.0	-74.73	355.24	11.71	-63.02
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012030530	0	40	0.0	-86.17	348.61	11.41	-74.76
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NN(C(F)F)C=C1	REAL300012030531	1	40	0.0	-83.43	331.11	8.35	-75.08
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030532	0	51	0.0	-83.24	400.15	10.83	-72.41
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012030533	0	44	0.0	-73.81	364.84	10.33	-63.48
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012030534	0	47	0.0	-86.29	377.23	11.43	-74.86
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2=CN(C)N=C2)=C1	REAL300012030535	0	53	0.0	-73.74	412.52	12.29	-61.45
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2=CC=NN2C)=C1	REAL300012030536	0	53	0.0	-79.41	408.43	11.95	-67.46
CC(C)C1=CN=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030537	0	45	0.0	-77.61	363.01	9.76	-67.85
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012030538	0	50	0.0	-80.42	414.22	12.43	-67.99
CC(C)(C)C1=CN=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030539	0	48	0.0	-77.44	381.21	10.25	-67.19
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(C2CC2)N=CS1	REAL300012030540	0	43	0.0	-82.13	350.35	9.89	-72.24
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012030541	0	46	0.0	-76.74	372.02	14.07	-62.67
COC(=O)C1=C(C)N(C)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030542	0	50	0.0	-91.25	392.09	10.92	-80.33
COCCCN1N=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030543	0	50	0.0	-86.43	386.70	8.75	-77.68
CC1=CC(F)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(Cl)=C1	REAL300012030544	0	43	0.0	-70.99	355.64	11.56	-59.43
COCCOCC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030545	0	54	0.0	-83.88	425.42	10.41	-73.47
CSCC1=CN=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030546	1	43	0.0	-79.74	366.27	9.62	-70.12
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012030547	0	40	0.0	-75.68	334.76	10.44	-65.24
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)SC2=C(Cl)C=CC=C12	REAL300012030548	0	46	0.0	-82.32	385.25	13.02	-69.30
CCN1N=C(C)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=N1	REAL300012030549	1	45	0.0	-82.80	355.20	8.07	-74.73
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012030550	0	47	0.0	-80.57	364.09	12.54	-68.03
N#CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1F	REAL300012030551	0	41	0.0	-99.17	341.63	10.88	-88.29
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012030552	0	43	0.0	-94.53	354.47	9.56	-84.97
CC1=CC(F)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(F)=C1	REAL300012030553	0	43	0.0	-72.79	346.90	11.17	-61.62
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)O1	REAL300012030554	0	50	0.0	-79.84	398.72	10.88	-68.96
CC(C)CN1N=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030555	0	49	0.0	-84.07	371.52	10.48	-73.59
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012030556	0	39	0.0	-82.22	343.17	9.68	-72.54
COC(=O)C1=C(C)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CN1	REAL300012030557	0	47	0.0	-88.58	372.40	9.46	-79.12
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)S2)C=C1C	REAL300012030558	0	52	0.0	-83.85	418.98	12.70	-71.15
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030559	0	50	0.0	-91.61	397.67	12.41	-79.20
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030560	0	50	0.0	-88.94	405.39	12.95	-75.99
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030561	0	53	0.0	-87.29	414.67	12.93	-74.36
CC(C)(C#N)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030562	0	50	0.0	-86.45	391.46	12.41	-74.04
CC(C)C1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030563	0	49	0.0	-78.32	368.92	12.24	-66.08
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NN2CCCCC2=C1	REAL300012030564	0	47	0.0	-77.75	359.48	9.78	-67.97
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012030565	0	46	0.0	-90.52	365.20	10.09	-80.43
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012030566	0	42	0.0	-87.81	337.49	9.25	-78.56
COC1=CC(OC)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1F	REAL300012030567	0	48	0.0	-82.21	378.73	9.19	-73.02
COC1=CC(F)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OC	REAL300012030568	0	48	0.0	-83.37	378.28	9.69	-73.68
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(Cl)=C1	REAL300012030569	0	43	0.0	-74.33	348.19	11.60	-62.73
CCC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030570	0	46	0.0	-80.09	357.76	11.88	-68.21
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030571	0	53	0.0	-87.38	414.93	12.92	-74.46
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(F)=C1	REAL300012030572	0	44	0.0	-79.53	348.85	9.80	-69.73
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=C1CCC2	REAL300012030573	0	47	0.0	-79.65	358.95	12.28	-67.37
COC1=CC=CC(F)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030574	0	44	0.0	-71.25	348.34	9.84	-61.41
CCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1	REAL300012030575	0	53	0.0	-81.54	402.60	12.11	-69.43
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012030576	0	42	0.0	-87.05	346.99	10.20	-76.85
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C2CCCN2N=C1	REAL300012030577	0	44	0.0	-83.87	341.35	9.06	-74.81
CCC1=C2OC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CC2=CC=C1	REAL300012030578	0	49	0.0	-83.83	385.66	12.41	-71.42
C=CCCN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)N=N1	REAL300012030579	1	46	0.0	-85.47	367.40	9.11	-76.36
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NN1CC1CC1	REAL300012030580	0	47	0.0	-86.54	369.00	10.47	-76.07
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012030581	0	48	0.0	-81.38	380.44	11.45	-69.93
CCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1	REAL300012030582	0	50	0.0	-82.39	381.57	11.24	-71.15
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012030583	0	44	0.0	-82.67	359.19	10.16	-72.51
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012030584	0	44	0.0	-83.32	359.05	10.16	-73.16
COC1=NC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030585	0	43	0.0	-79.29	340.67	7.22	-72.07
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012030586	0	53	0.0	-79.93	399.10	13.65	-66.28
CN1C=C(C2=NN(C)C=C2C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300012030587	0	50	0.0	-83.49	392.24	9.53	-73.96
COCC1=CSC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030588	0	44	0.0	-79.89	360.41	9.29	-70.60
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012030589	1	46	0.0	-84.86	357.05	8.93	-75.93
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012030590	0	46	0.0	-84.26	396.62	12.00	-72.26
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012030591	0	40	0.0	-87.97	345.48	10.60	-77.37
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012030592	0	40	0.0	-87.25	336.79	9.81	-77.44
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012030593	0	40	0.0	-77.61	334.07	10.51	-67.10
CN(C)C1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=CC(F)=C1F	REAL300012030594	0	48	0.0	-85.14	374.69	10.51	-74.63
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012030595	1	40	0.0	-74.54	340.09	10.93	-63.61
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012030596	0	52	0.0	-85.39	400.44	10.11	-75.28
CN(C)C1=CC(F)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1F	REAL300012030597	0	48	0.0	-83.22	381.32	10.01	-73.21
COC(=O)C1=C2CCCCN2C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030598	0	54	0.0	-91.78	416.53	12.19	-79.59
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012030599	0	40	0.0	-90.63	333.02	10.60	-80.03
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC(C(F)(F)F)=C1	REAL300012030600	0	47	0.0	-87.27	383.44	10.76	-76.51
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OC1CC1	REAL300012030601	0	52	0.0	-89.05	404.40	11.32	-77.73
CCCN1N=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030602	0	46	0.0	-84.07	353.03	9.68	-74.39
CN1N=C(C(F)(F)F)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030603	0	43	0.0	-94.66	356.66	8.99	-85.67
COCC(C)OC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030604	0	54	0.0	-85.43	417.00	10.69	-74.74
CCCC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030605	0	46	0.0	-78.20	369.96	11.92	-66.28
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012030606	0	47	0.0	-84.27	382.23	13.07	-71.20
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012030607	0	53	0.0	-87.04	412.96	12.71	-74.33
CC(C)C1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030608	0	49	0.0	-80.07	375.10	12.37	-67.70
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(Cl)=N1	REAL300012030609	0	40	0.0	-82.21	334.32	8.68	-73.53
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012030610	0	47	0.0	-86.90	391.54	11.29	-75.61
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C(C)(C)C	REAL300012030611	0	56	0.0	-82.47	415.52	12.44	-70.03
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012030612	0	53	0.0	-79.95	405.91	13.96	-65.99
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030613	0	48	0.0	-71.97	387.69	9.68	-62.29
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=NC=C1Br	REAL300012030614	0	42	0.0	-82.28	349.68	9.81	-72.47
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C(Br)C=C1F	REAL300012030615	0	43	0.0	-78.63	357.05	11.74	-66.89
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(O)C=CC=C1Br	REAL300012030616	0	41	0.0	-72.68	342.63	8.16	-64.52
CN1C=C(C2=NC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CS2)C=N1	REAL300012030617	1	46	0.0	-83.08	384.39	9.04	-74.04
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1Cl	REAL300012030618	0	44	0.0	-88.70	360.41	10.29	-78.41
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NN1CC1CCC1	REAL300012030619	0	50	0.0	-86.84	385.61	10.97	-75.87
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012030620	1	46	0.0	-89.79	374.17	10.34	-79.45
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012030621	0	46	0.0	-78.36	363.96	12.02	-66.34
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(Br)=N1	REAL300012030622	1	40	0.0	-81.22	338.40	8.74	-72.48
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(F)=C1	REAL300012030623	0	43	0.0	-76.92	340.78	11.19	-65.73
CC(=O)NC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030624	0	47	0.0	-79.85	370.72	9.36	-70.49
CN1N=CC2=CC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CN=C21	REAL300012030625	0	45	0.0	-94.25	359.19	9.59	-84.66
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NC=C(Br)C=C1F	REAL300012030626	1	39	0.0	-77.12	336.51	9.26	-67.86
COC1=CC(Cl)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OC	REAL300012030627	0	48	0.0	-81.24	385.46	10.13	-71.11
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012030628	0	46	0.0	-83.36	375.82	12.24	-71.12
CN1N=C2CCCCC2=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030629	0	50	0.0	-87.15	379.07	10.44	-76.71
CCOC(=O)C1=C(C)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C(C)N1	REAL300012030630	0	53	0.0	-86.42	414.94	10.84	-75.58
CC1=C(C)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CS1	REAL300012030631	0	43	0.0	-79.31	339.98	10.74	-68.57
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012030632	0	39	0.0	-95.34	332.44	9.14	-86.20
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012030633	0	50	0.0	-86.78	407.90	14.42	-72.36
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012030634	0	40	0.0	-89.04	347.32	11.15	-77.89
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(Br)SC=C1	REAL300012030635	0	37	0.0	-74.78	322.84	10.11	-64.67
CCOC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C(F)C=C1OC	REAL300012030636	0	51	0.0	-83.37	400.13	10.61	-72.76
COC1=NC=C(Br)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030637	0	43	0.0	-79.79	361.88	7.83	-71.96
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012030638	0	46	0.0	-88.23	361.40	12.60	-75.63
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CN=C1Br	REAL300012030639	0	39	0.0	-79.24	325.46	9.15	-70.09
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012030640	0	40	0.0	-80.28	346.13	11.50	-68.78
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012030641	0	44	0.0	-82.60	366.02	10.37	-72.23
CC(C)OC1=CC=C(F)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030642	0	50	0.0	-76.68	389.64	11.48	-65.20
CCOC1=CC(F)=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030643	0	47	0.0	-85.39	372.65	10.75	-74.64
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012030644	0	54	0.0	-94.45	410.48	11.47	-82.98
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012030645	0	44	0.0	-83.00	358.61	10.08	-72.92
CC(C)(C)OC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030646	0	53	0.0	-80.79	395.16	11.58	-69.21
CC1=C(Cl)C=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030647	0	43	0.0	-82.77	343.69	11.51	-71.26
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C(F)C=C1C	REAL300012030648	0	47	0.0	-79.80	369.14	10.53	-69.27
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1Br	REAL300012030649	0	46	0.0	-82.48	365.93	12.17	-70.31
CC1=CC=NC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1Br	REAL300012030650	1	42	0.0	-71.44	346.51	9.71	-61.73
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030651	0	57	0.0	-85.77	436.65	10.71	-75.06
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2=CC(F)=CC=C2F)=N1	REAL300012030652	0	50	0.0	-84.42	407.01	11.76	-72.66
CC(C)(C)C1=CSC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=N1	REAL300012030653	0	48	0.0	-78.05	380.45	10.18	-67.87
COCCC1=NC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030654	0	46	0.0	-84.50	376.72	8.23	-76.27
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012030656	1	41	0.0	-87.56	337.21	7.79	-79.77
CN1N=C2CCSCC2=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030657	0	48	0.0	-90.62	378.43	10.10	-80.52
CCN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2=CC=CC=C2)=N1	REAL300012030658	0	53	0.0	-81.16	408.48	12.45	-68.71
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012030659	0	48	0.0	-82.44	361.67	10.41	-72.03
COCC1=C(C)C=C(C)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1C	REAL300012030660	0	56	0.0	-79.74	415.84	11.65	-68.09
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012030661	0	42	0.0	-99.91	342.62	11.00	-88.91
CC1=C(Br)C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030662	0	40	0.0	-81.00	346.42	10.91	-70.09
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012030663	0	50	0.0	-85.77	405.82	14.37	-71.40
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012030664	0	45	0.0	-88.79	351.04	10.70	-78.09
CCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C	REAL300012030665	0	53	0.0	-82.92	407.80	12.22	-70.70
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012030666	0	44	0.0	-90.57	350.90	8.86	-81.71
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1CN1C=CC=N1	REAL300012030667	0	54	0.0	-84.07	427.07	11.44	-72.63
CCOC1=CC=CC(F)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030668	0	47	0.0	-70.60	370.19	10.76	-59.84
CC1=CC=C(Br)C(F)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030669	0	43	0.0	-80.02	357.77	11.60	-68.42
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=CC=C1[N+](=O)[O-]	REAL300012030670	0	45	0.0	-94.83	354.55	11.70	-83.13
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030671	0	48	0.0	-92.43	373.87	12.15	-80.28
COC1=CC=C(CN2C=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)N=N2)C=C1	REAL300012030672	1	53	0.0	-90.15	422.54	10.09	-80.06
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(F)=C1OC	REAL300012030673	0	48	0.0	-84.59	382.81	9.79	-74.80
COC(=O)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(F)=C1	REAL300012030674	0	46	0.0	-86.35	374.12	11.17	-75.18
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012030675	0	50	0.0	-84.84	402.04	10.75	-74.09
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012030676	0	54	0.0	-83.55	426.15	13.72	-69.83
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012030677	0	47	0.0	-75.88	377.99	11.06	-64.82
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)C=N1	REAL300012030678	0	39	0.0	-82.67	326.60	9.12	-73.55
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030679	0	56	0.0	-84.89	429.76	13.45	-71.44
CC1=CC(C#N)=CC(C)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030680	0	47	0.0	-89.75	368.93	11.88	-77.87
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(CCF)N=C1	REAL300012030681	0	43	0.0	-86.12	345.81	9.26	-76.86
CC(C)(C)C1=COC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=N1	REAL300012030682	1	48	0.0	-81.02	372.41	7.83	-73.19
CCCC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030683	0	49	0.0	-79.81	379.26	12.67	-67.14
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012030684	0	46	0.0	-81.56	396.44	11.76	-69.80
COC1=CC=C(C2=NC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CS2)C=C1	REAL300012030685	0	50	0.0	-80.86	409.17	10.56	-70.30
CC1=C2C=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)C=NC2=NN1	REAL300012030687	0	45	0.0	-97.78	357.92	8.98	-88.80
CS(=O)(=O)NC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030688	0	48	0.0	-95.14	388.26	7.18	-87.96
CN1N=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C2=CC=CC=C21	REAL300012030689	0	46	0.0	-81.97	364.83	10.37	-71.60
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012030690	0	43	0.0	-93.21	341.75	9.06	-84.15
CN1C(Cl)=NC(Cl)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030691	0	40	0.0	-87.01	348.37	9.74	-77.27
CCC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030692	0	43	0.0	-78.19	348.45	11.14	-67.05
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012030693	0	45	0.0	-80.37	352.62	10.73	-69.64
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)N2C=CC=CC2=N1	REAL300012030694	0	46	0.0	-88.36	361.35	11.43	-76.93
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030695	1	60	0.0	-78.91	436.36	12.57	-66.34
CCC1=NC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030696	0	42	0.0	-82.00	343.05	9.16	-72.84
COC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)SC=C1	REAL300012030697	0	41	0.0	-72.72	334.98	8.86	-63.86
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012030698	0	46	0.0	-89.57	371.04	8.68	-80.89
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC=C1Cl	REAL300012030699	0	37	0.0	-76.82	319.61	9.85	-66.97
CC1=NN2C(=NC(C)=C2C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030700	0	45	0.0	-83.12	369.23	9.62	-73.50
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030701	0	51	0.0	-81.86	411.20	10.93	-70.93
CCCC(C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21)C1=CC=CC=C1	REAL300012030702	0	52	0.0	-78.11	391.95	13.08	-65.03
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012030703	0	45	0.0	-68.49	368.59	11.39	-57.10
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)N=C1	REAL300012030704	0	39	0.0	-92.50	316.14	8.60	-83.90
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012030705	0	40	0.0	-86.51	345.72	10.76	-75.75
CN(C)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C(F)(F)F)=C1	REAL300012030706	0	51	0.0	-73.25	394.50	11.77	-61.48
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030707	0	50	0.0	-81.82	397.07	13.08	-68.74
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030708	0	49	0.0	-83.47	406.11	12.07	-71.40
CC(C)C1CCC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)CC1	REAL300012030709	0	55	0.0	-77.90	384.61	12.26	-65.64
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012030710	0	43	0.0	-89.32	374.78	11.80	-77.52
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030711	0	51	0.0	-84.31	401.48	11.84	-72.47
COCC1=CC=CC=C1C=C(C)C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030712	0	54	0.0	-84.59	413.92	12.06	-72.53
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030713	0	50	0.0	-79.44	386.96	11.28	-68.16
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012030714	0	49	0.0	-92.85	388.91	12.13	-80.72
CCC1=NOC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030715	0	42	0.0	-88.20	332.17	9.21	-78.99
CN1N=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1Cl	REAL300012030716	0	40	0.0	-80.13	333.51	8.59	-71.54
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012030717	0	42	0.0	-88.84	337.52	7.93	-80.91
COC1=CC=C(N2C=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)C=N2)C=C1	REAL300012030718	0	51	0.0	-89.47	403.19	10.96	-78.51
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012030719	0	42	0.0	-90.05	354.29	8.43	-81.62
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012030720	0	47	0.0	-81.63	363.96	12.56	-69.07
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NC=C1Br	REAL300012030721	0	39	0.0	-80.89	326.53	9.23	-71.66
CS(=O)(=O)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030722	0	43	0.0	-92.52	367.95	7.14	-85.38
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012030723	0	46	0.0	-78.49	367.06	11.14	-67.35
NS(=O)(=O)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(F)=C1	REAL300012030724	0	45	0.0	-91.85	373.55	5.47	-86.38
CC(C)N1C=CN=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030726	1	46	0.0	-80.84	355.73	10.27	-70.57
CC1=C(Br)C=NC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030727	0	42	0.0	-85.98	343.38	9.80	-76.18
CN1N=CC(C(F)(F)F)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030728	0	43	0.0	-83.98	352.65	9.03	-74.95
CN1N=CC(C2CC2)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030729	0	47	0.0	-86.83	365.59	10.10	-76.73
CN1N=CC(C2CCC2)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030730	0	50	0.0	-87.20	382.00	10.58	-76.62
CC1=C2C=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)NC2=CC=C1	REAL300012030731	0	47	0.0	-86.01	367.72	11.04	-74.97
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012030732	0	46	0.0	-86.38	365.88	9.60	-76.78
CC1=CC=C2C=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)NC2=C1	REAL300012030733	0	47	0.0	-85.87	368.14	11.06	-74.81
CCOC1=CN=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030734	0	46	0.0	-85.72	361.17	8.85	-76.87
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NC=C1Cl	REAL300012030735	0	39	0.0	-81.68	322.96	9.14	-72.54
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012030736	0	51	0.0	-90.30	390.51	9.06	-81.24
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=NNC=C21	REAL300012030737	0	43	0.0	-92.27	340.98	9.15	-83.12
CCC(F)(F)C(C)(C)C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030738	0	48	0.0	-75.38	354.40	10.83	-64.55
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NC(F)=C1	REAL300012030739	0	39	0.0	-92.76	316.16	8.63	-84.13
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012030740	0	44	0.0	-83.64	346.24	10.48	-73.16
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012030741	0	43	0.0	-91.15	347.49	7.94	-83.21
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012030742	0	42	0.0	-90.50	344.29	9.52	-80.98
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030743	0	49	0.0	-83.55	387.04	10.86	-72.69
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012030744	1	50	0.0	-88.75	389.00	7.85	-80.90
COC1=CN=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1C	REAL300012030745	0	46	0.0	-85.16	354.07	8.55	-76.61
CC1=CC(C)=C(C=CC[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1	REAL300012030746	0	53	0.0	-83.52	404.89	13.58	-69.94
CC(C)(C)OC(=O)NC(C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21)CC(F)F	REAL300012030747	0	56	0.0	-92.43	425.26	9.25	-83.18
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012030748	1	50	0.0	-85.41	389.87	8.04	-77.37
CCCN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)N=N1	REAL300012030749	1	45	0.0	-85.63	354.58	8.56	-77.07
CN(C)C1=CC=C(F)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030750	0	48	0.0	-77.36	372.78	10.52	-66.84
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(C2CC2)C=N1	REAL300012030751	0	44	0.0	-77.23	346.23	11.10	-66.13
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012030752	0	45	0.0	-95.33	362.29	10.89	-84.44
CC1=CC(C)=C(C=CC[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C	REAL300012030753	0	53	0.0	-82.34	401.80	13.47	-68.87
CC1=NSC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030754	0	39	0.0	-85.72	321.42	8.87	-76.85
NS(=O)(=O)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030755	0	45	0.0	-95.79	369.02	5.42	-90.37
CCN1N=CN=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030756	1	42	0.0	-86.37	328.04	9.62	-76.75
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C2CC2)O1	REAL300012030757	0	43	0.0	-84.05	343.60	7.75	-76.30
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012030758	0	49	0.0	-76.94	367.00	11.01	-65.93
CC1=NN(C)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1Cl	REAL300012030759	0	43	0.0	-83.91	353.92	9.09	-74.82
CN1C=CC(C2=NC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CS2)=N1	REAL300012030760	1	46	0.0	-84.10	384.50	8.92	-75.18
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2CCCC2)=N1	REAL300012030761	0	53	0.0	-84.98	403.06	11.36	-73.62
CC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1Br	REAL300012030762	0	43	0.0	-74.99	349.31	11.59	-63.40
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012030763	0	51	0.0	-86.27	410.92	13.40	-72.87
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012030764	0	48	0.0	-83.60	368.58	11.07	-72.53
CN(C)C(=O)C1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030765	0	50	0.0	-87.30	387.02	10.28	-77.02
CCC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(Cl)=NN1	REAL300012030766	0	43	0.0	-81.49	352.98	8.58	-72.91
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012030767	0	44	0.0	-80.42	362.12	9.42	-71.00
CCC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=NO1	REAL300012030768	0	45	0.0	-85.78	350.56	10.06	-75.72
CCN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)N=N1	REAL300012030769	1	42	0.0	-85.91	333.08	7.79	-78.12
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C2CCCCC2=N1	REAL300012030770	0	52	0.0	-86.49	387.44	11.63	-74.86
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012030771	0	55	0.0	-73.69	408.47	12.50	-61.19
CCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)O1	REAL300012030772	0	44	0.0	-83.21	350.49	9.97	-73.24
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012030773	1	39	0.0	-85.62	340.53	8.56	-77.06
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CN=C1F	REAL300012030774	0	42	0.0	-92.63	336.48	9.24	-83.39
CC1=CC(F)=NC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030775	0	42	0.0	-89.81	331.46	9.23	-80.58
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012030776	0	43	0.0	-90.10	354.06	11.41	-78.69
COC(=O)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C	REAL300012030777	0	49	0.0	-90.79	385.67	11.65	-79.14
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1	REAL300012030778	0	47	0.0	-81.80	359.24	10.38	-71.42
CC1=C(Cl)C=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1Cl	REAL300012030779	0	43	0.0	-78.99	360.32	11.91	-67.08
N#CC1=CC=C(Br)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030780	0	41	0.0	-83.58	351.14	11.43	-72.15
CC1CC2=CC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CC=C2O1	REAL300012030781	0	48	0.0	-84.98	371.80	11.06	-73.92
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012030782	0	43	0.0	-88.11	346.62	7.95	-80.16
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=C1OCC2	REAL300012030783	0	45	0.0	-76.18	350.65	10.28	-65.90
CSCC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030784	0	47	0.0	-82.24	380.96	12.35	-69.89
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012030785	0	50	0.0	-84.00	387.12	11.20	-72.80
CN1N=C2CCOCC2=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030786	0	48	0.0	-89.94	370.17	8.06	-81.88
CN1N=C2CCCC2=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030787	0	47	0.0	-87.06	361.62	9.92	-77.14
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NN1C1CCC1	REAL300012030788	0	47	0.0	-87.26	363.65	10.23	-77.03
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012030789	0	47	0.0	-83.73	363.04	10.23	-73.50
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030790	0	53	0.0	-75.14	417.11	12.02	-63.12
COC(=O)COC1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030791	0	50	0.0	-76.30	399.49	11.40	-64.90
COC1=CC=C(C)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030792	0	47	0.0	-79.60	359.25	10.37	-69.23
CN1C=NC2=CC=CC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=C21	REAL300012030793	0	46	0.0	-88.31	350.35	11.53	-76.78
CCC1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030794	0	46	0.0	-78.13	348.31	11.74	-66.39
CN(C)C(=O)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030795	0	50	0.0	-93.94	385.01	10.26	-83.68
CC1=CC(F)=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030796	0	43	0.0	-84.95	342.70	11.19	-73.76
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1C	REAL300012030797	0	49	0.0	-77.99	364.49	12.18	-65.81
CCNC(=O)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030798	0	50	0.0	-92.84	392.80	9.58	-83.26
CC(C)(C)C1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030799	0	52	0.0	-72.52	367.34	12.74	-59.78
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C2CCCCCN12	REAL300012030800	0	50	0.0	-85.38	370.96	10.86	-74.52
COC1=CC=C2SC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CC2=C1	REAL300012030801	0	47	0.0	-83.40	381.80	11.28	-72.12
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CON=C1C1CC1	REAL300012030802	0	43	0.0	-87.95	343.05	10.06	-77.89
CCN(CC)C(=O)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030803	0	56	0.0	-93.76	424.62	12.10	-81.66
CCN1CCC2=CC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CC=C21	REAL300012030804	0	52	0.0	-82.24	394.18	11.08	-71.16
CCN(C)C(=O)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030805	0	53	0.0	-94.16	407.66	11.30	-82.86
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=NN1C(C)C	REAL300012030806	0	49	0.0	-82.15	376.82	10.29	-71.86
CSC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1Cl	REAL300012030807	0	44	0.0	-87.42	370.10	11.91	-75.51
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1C1CC1	REAL300012030808	0	50	0.0	-80.40	381.28	13.08	-67.32
CCOC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=N1	REAL300012030809	0	46	0.0	-87.29	363.80	8.09	-79.20
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1C1CC1	REAL300012030810	0	50	0.0	-80.44	381.88	13.07	-67.37
CC1=NN(C2=CC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)C(C)=C2)C=C1	REAL300012030811	0	53	0.0	-89.35	409.93	12.85	-76.50
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012030812	0	46	0.0	-88.73	386.04	12.33	-76.40
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030813	0	50	0.0	-89.25	405.71	12.70	-76.55
CCC1=CC(Br)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030814	0	43	0.0	-73.64	367.90	11.68	-61.96
CC1=NN(C2=CC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)C=C2)C=C1Cl	REAL300012030815	0	50	0.0	-90.38	411.78	12.73	-77.65
COC(=O)C1=CC2=C(C=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)O2)N1	REAL300012030816	0	47	0.0	-91.95	383.46	9.25	-82.70
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)O1	REAL300012030817	0	41	0.0	-83.36	328.63	9.03	-74.33
COCCOC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)O1	REAL300012030818	0	48	0.0	-85.07	384.12	9.20	-75.87
CC1=NN(C(C)C)C(C)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030819	0	52	0.0	-82.69	398.15	10.77	-71.92
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NN(CCF)C=C1	REAL300012030820	0	43	0.0	-80.55	345.87	9.16	-71.39
CCN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=N1	REAL300012030821	0	46	0.0	-84.01	358.79	9.71	-74.30
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012030822	0	40	0.0	-86.81	352.91	11.57	-75.24
CC1=CC=C(C2=CC=CC=C2C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1	REAL300012030823	0	56	0.0	-73.65	425.42	14.95	-58.70
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2CC2)=N1	REAL300012030824	0	47	0.0	-84.43	369.90	10.43	-74.00
COC1=CC=CC(C2=CSC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=N2)=C1	REAL300012030825	0	50	0.0	-83.09	407.43	10.51	-72.58
COC(=O)C1=C2COCCN2C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030826	0	52	0.0	-93.61	408.28	9.81	-83.80
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012030827	0	57	0.0	-93.88	428.03	12.35	-81.53
CN1N=C(C2CC2)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030828	0	47	0.0	-88.09	367.19	10.10	-77.99
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030829	0	50	0.0	-89.51	385.58	13.45	-76.06
CC(C)C1=NOC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030830	0	45	0.0	-88.25	353.08	9.73	-78.52
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012030831	0	44	0.0	-80.31	370.89	9.37	-70.94
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012030832	0	50	0.0	-86.15	387.13	6.91	-79.24
COC1=NC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1F	REAL300012030833	0	43	0.0	-85.46	347.48	7.21	-78.25
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012030834	1	40	0.0	-68.82	347.01	11.36	-57.46
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012030835	0	40	0.0	-88.84	346.74	11.13	-77.71
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN2C=CN=C2S1	REAL300012030836	0	40	0.0	-94.77	332.25	10.42	-84.35
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C(C(C)(C)C)O1	REAL300012030837	0	52	0.0	-79.56	397.65	11.99	-67.57
CC1=C(C)SC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=N1	REAL300012030838	0	42	0.0	-77.94	341.78	8.96	-68.98
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012030839	1	49	0.0	-87.74	393.01	10.79	-76.95
CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)CC1	REAL300012030840	0	60	0.0	-88.39	438.76	11.48	-76.91
CC1=CC(Br)=CN=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030841	0	42	0.0	-80.61	348.24	9.76	-70.85
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012030842	0	46	0.0	-90.61	388.77	8.36	-82.25
CC1OC2=CC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)C=C2C1C	REAL300012030843	0	51	0.0	-85.00	392.53	11.66	-73.34
CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OC(F)F	REAL300012030844	0	47	0.0	-81.09	374.21	10.77	-70.32
CC(C)CC1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030845	0	52	0.0	-77.68	383.89	12.85	-64.83
CN1N=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1S(C)(=O)=O	REAL300012030846	1	46	0.0	-83.60	366.40	5.86	-77.74
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)NN=C1C(F)(F)F	REAL300012030847	0	43	0.0	-93.40	350.53	8.32	-85.08
CC(C)CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)N=N1	REAL300012030848	1	48	0.0	-85.32	374.37	9.30	-76.02
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NC(C2CC2)=CS1	REAL300012030849	0	43	0.0	-78.77	350.71	9.69	-69.08
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012030850	0	40	0.0	-94.32	336.12	7.81	-86.51
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C2CCOC2=C1	REAL300012030851	0	45	0.0	-83.16	350.73	10.30	-72.86
CS(=O)(=O)C1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=CS1	REAL300012030853	1	43	0.0	-84.91	356.22	7.48	-77.43
CSC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030854	0	44	0.0	-81.80	355.09	11.46	-70.34
CC(C)C1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)N(C)N=C1	REAL300012030855	0	49	0.0	-86.55	377.02	9.94	-76.61
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC(C)=N1	REAL300012030856	0	45	0.0	-86.58	352.97	9.91	-76.67
CC1=C(Br)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C(C)S1	REAL300012030857	0	43	0.0	-74.28	362.50	11.36	-62.92
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2=CC=CC(F)=C2)=N1	REAL300012030858	0	50	0.0	-80.97	396.55	11.82	-69.15
CCCN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=N1	REAL300012030859	0	49	0.0	-83.94	381.12	10.41	-73.53
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012030860	0	42	0.0	-87.99	337.50	9.18	-78.81
CC1=C(C)OC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=N1	REAL300012030861	1	42	0.0	-80.70	332.02	6.56	-74.14
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012030862	0	47	0.0	-78.42	380.06	12.70	-65.72
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012030863	0	48	0.0	-84.11	375.65	11.43	-72.68
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012030864	0	44	0.0	-83.82	365.35	10.29	-73.53
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012030865	0	46	0.0	-86.70	386.07	12.32	-74.38
CC1=NC=CN1C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1	REAL300012030866	0	53	0.0	-90.84	409.40	13.54	-77.30
CC1=C(C)N(C2=CC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)C=C2)C=N1	REAL300012030867	0	53	0.0	-92.90	415.71	14.19	-78.71
CNC(=O)C1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030868	0	47	0.0	-86.88	371.35	8.72	-78.16
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012030869	0	54	0.0	-81.16	409.80	14.48	-66.68
CCNC(=O)C1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030871	0	50	0.0	-86.52	392.84	9.56	-76.96
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)OC2=CC=C(F)C=C12	REAL300012030872	0	46	0.0	-85.78	369.59	11.69	-74.09
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012030873	0	47	0.0	-87.55	361.98	9.36	-78.19
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030874	0	50	0.0	-90.97	394.93	11.58	-79.39
CCCN1C=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=N1	REAL300012030875	0	46	0.0	-78.07	360.78	9.78	-68.29
CC(C)N1C=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=N1	REAL300012030876	0	46	0.0	-77.73	357.95	9.54	-68.19
CC(C)(C)C1=CN=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030877	0	51	0.0	-84.77	386.27	10.94	-73.83
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012030878	0	43	0.0	-82.55	357.14	9.53	-73.02
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012030879	0	50	0.0	-80.89	383.89	12.39	-68.50
CN1C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=NC2=C1CCCC2	REAL300012030880	0	50	0.0	-81.81	378.44	11.14	-70.67
COC1=NC(Cl)=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030881	0	43	0.0	-84.51	357.59	7.63	-76.88
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C(F)(F)F)=N1	REAL300012030882	0	43	0.0	-84.13	351.55	9.24	-74.89
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012030883	0	43	0.0	-82.06	353.36	11.39	-70.67
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=C1COCC2	REAL300012030884	0	48	0.0	-81.58	361.61	10.46	-71.12
CCOC1=CC=C(Cl)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030885	0	47	0.0	-76.23	381.49	11.26	-64.97
COC1=NN(C)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030886	0	44	0.0	-81.69	350.60	6.19	-75.50
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NC2=C(COCC2)S1	REAL300012030887	1	44	0.0	-80.79	354.30	7.79	-73.00
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012030888	0	47	0.0	-81.91	370.40	10.34	-71.57
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012030889	0	47	0.0	-79.38	359.16	11.28	-68.10
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012030890	0	42	0.0	-98.78	349.51	11.19	-87.59
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012030891	0	53	0.0	-83.34	399.53	11.51	-71.83
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012030892	0	47	0.0	-82.71	388.71	11.93	-70.78
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012030893	1	40	0.0	-76.68	346.79	11.12	-65.56
CN(CCO)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300012030894	0	51	0.0	-84.82	394.45	8.01	-76.81
COC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=CC=C1C(C)(C)C	REAL300012030895	0	56	0.0	-76.50	408.26	12.19	-64.31
CN1C=C(Br)N=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030896	1	40	0.0	-86.64	337.08	9.33	-77.31
COC1=CC(C)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300012030897	0	46	0.0	-86.08	357.11	7.78	-78.30
COC1=CC(C)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1O	REAL300012030898	0	48	0.0	-84.71	369.86	8.20	-76.51
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012030899	0	46	0.0	-86.13	371.63	9.58	-76.55
CN1C(=O)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC2=CC=CC=C21	REAL300012030900	0	49	0.0	-80.40	381.34	11.23	-69.17
COC1=NC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1C	REAL300012030901	0	46	0.0	-81.58	362.17	7.84	-73.74
CCCN1C=NC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030902	0	46	0.0	-81.72	353.04	11.32	-70.40
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012030903	0	47	0.0	-88.98	371.98	10.40	-78.58
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012030904	0	53	0.0	-79.69	405.96	13.98	-65.71
CCC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=NN1CC	REAL300012030905	0	49	0.0	-80.49	369.32	10.22	-70.27
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012030906	1	40	0.0	-76.11	341.68	11.00	-65.11
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030907	0	57	0.0	-79.30	436.72	10.69	-68.61
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(C2CC2)=NN1	REAL300012030908	0	44	0.0	-87.75	346.48	8.91	-78.84
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012030909	0	44	0.0	-93.96	358.60	9.98	-83.98
COC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=CS1	REAL300012030910	0	41	0.0	-75.22	336.41	8.87	-66.35
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C(F)(F)F)=CO1	REAL300012030911	0	43	0.0	-77.15	353.30	10.23	-66.92
CC(F)(F)C1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030912	0	46	0.0	-85.03	368.10	11.97	-73.06
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012030913	0	46	0.0	-87.72	377.80	11.22	-76.50
CN1C=C(C2=NNC=C2C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300012030914	0	47	0.0	-83.19	370.73	8.24	-74.95
CCCN1N=C(C)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1Cl	REAL300012030915	0	49	0.0	-79.51	397.40	10.75	-68.76
CC(C)(C#N)C1=NC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)S1	REAL300012030916	0	46	0.0	-85.50	381.54	9.78	-75.72
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012030917	0	40	0.0	-84.83	332.08	10.64	-74.19
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012030918	0	47	0.0	-83.39	380.41	12.88	-70.51
CC(C)(C)C1=NNC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030919	0	49	0.0	-87.00	376.86	9.28	-77.72
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012030920	0	46	0.0	-86.10	372.51	13.10	-73.00
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012030921	0	57	0.0	-74.42	424.53	13.27	-61.15
C=CCC1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030922	0	47	0.0	-79.00	361.91	12.32	-66.68
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012030923	0	60	0.0	-82.35	445.06	13.97	-68.38
CCN1CCCC2=CC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=CC=C21	REAL300012030924	0	55	0.0	-81.22	403.78	11.58	-69.64
COCC1=CN=C(OC)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030925	0	50	0.0	-79.70	394.92	6.99	-72.71
CN1N=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1Br	REAL300012030926	1	40	0.0	-79.47	337.61	8.66	-70.81
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC=CC1=CC=CC=C1	REAL300012030927	0	44	0.0	-81.78	345.92	11.75	-70.03
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN=NN1C1CC1	REAL300012030928	0	43	0.0	-94.07	341.35	8.48	-85.59
COCC1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030929	0	47	0.0	-82.27	361.29	10.31	-71.96
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012030930	0	44	0.0	-87.18	371.28	11.90	-75.28
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012030931	0	53	0.0	-85.91	408.08	11.12	-74.79
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012030932	0	48	0.0	-83.27	368.60	10.54	-72.73
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(CCO)N=C1	REAL300012030933	0	44	0.0	-86.13	350.64	5.76	-80.37
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)SC2=CC(F)=CC=C12	REAL300012030934	0	46	0.0	-83.87	375.59	12.58	-71.29
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012030935	0	46	0.0	-94.02	369.48	8.61	-85.41
COC1=CC=C(F)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1OC	REAL300012030936	0	48	0.0	-74.68	379.21	9.74	-64.94
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC=CC1=CC=NC=C1	REAL300012030937	0	43	0.0	-87.61	340.93	9.97	-77.64
CN1C=CC(C2=NNC=C2C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=N1	REAL300012030938	0	47	0.0	-75.81	375.32	8.49	-67.32
CC1=CC=C(F)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1Br	REAL300012030939	1	43	0.0	-70.50	356.45	11.54	-58.96
C=CC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012030940	0	44	0.0	-81.27	345.99	11.53	-69.74
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012030941	0	54	0.0	-81.23	414.47	12.80	-68.43
CC(F)(F)C1=CC=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030942	0	46	0.0	-70.50	353.51	11.80	-58.70
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC=C1OCCO	REAL300012030943	0	52	0.0	-90.24	406.83	7.49	-82.75
CCN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2CC2)=N1	REAL300012030944	0	50	0.0	-84.52	391.22	11.30	-73.22
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1OCCO	REAL300012030945	0	52	0.0	-90.16	406.85	7.48	-82.68
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2=CC=NN2C)=N1	REAL300012030946	0	50	0.0	-84.55	400.05	9.40	-75.15
CC(C)(C)C1=NOC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030947	0	48	0.0	-84.00	358.96	10.27	-73.73
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012030948	0	45	0.0	-89.63	355.87	10.93	-78.70
CC1=CC2=CC=CC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=C2O1	REAL300012030949	0	46	0.0	-79.12	364.09	11.60	-67.52
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012030950	0	43	0.0	-82.16	344.11	11.33	-70.83
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012030951	0	47	0.0	-73.88	389.77	11.23	-62.65
COC1=CSC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1OC	REAL300012030952	0	45	0.0	-79.08	367.61	8.50	-70.58
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CON=C1C1CCC1	REAL300012030953	0	46	0.0	-88.15	359.32	10.52	-77.63
CS(=O)(=O)C1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)SC=C1	REAL300012030954	1	43	0.0	-84.86	352.56	7.07	-77.79
CS(=O)(=O)C1=COC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030955	0	43	0.0	-92.23	358.68	6.04	-86.19
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012030956	0	43	0.0	-84.96	358.10	11.51	-73.45
CC(C)OC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1F	REAL300012030957	0	50	0.0	-88.91	390.41	11.40	-77.51
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012030959	0	40	0.0	-88.73	342.48	11.03	-77.70
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012030960	0	43	0.0	-82.20	349.04	11.38	-70.82
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012030961	0	46	0.0	-80.42	365.51	12.70	-67.72
CS(=O)(=O)C1=CSC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030962	0	43	0.0	-88.92	367.13	7.06	-81.86
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CSC(Cl)=C1	REAL300012030963	0	37	0.0	-84.02	321.88	10.02	-74.00
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=NN1C1CCC1	REAL300012030964	0	50	0.0	-82.21	382.56	10.94	-71.27
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012030965	0	47	0.0	-87.03	390.42	12.19	-74.84
CC1=NN(C2CCCC2)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030966	0	53	0.0	-87.27	402.96	11.51	-75.76
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NN1CC(F)F	REAL300012030967	0	43	0.0	-80.26	341.23	9.21	-71.05
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030968	0	50	0.0	-85.04	394.59	11.11	-73.93
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012030969	0	43	0.0	-81.20	352.79	11.72	-69.48
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012030970	1	39	0.0	-75.68	329.41	9.06	-66.62
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012030971	0	47	0.0	-87.60	380.10	11.73	-75.87
CN(C)C1=CN=CC(F)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030972	0	47	0.0	-75.16	368.70	8.55	-66.61
COC1=NC(C)=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1Cl	REAL300012030973	0	49	0.0	-88.93	389.27	8.68	-80.25
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030974	1	49	0.0	-85.58	390.97	10.81	-74.77
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012030975	0	47	0.0	-77.74	363.11	10.13	-67.61
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012030976	0	43	0.0	-81.77	352.26	9.30	-72.47
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012030977	0	44	0.0	-83.52	360.79	9.89	-73.63
CC1=NN(C2CCCCC2)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030978	0	56	0.0	-83.16	419.28	12.09	-71.07
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012030979	0	51	0.0	-84.11	390.32	9.11	-75.00
CC1=NN(C2CCOCC2)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030980	0	54	0.0	-83.99	410.06	9.68	-74.31
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012030981	0	50	0.0	-77.42	379.11	10.73	-66.69
NS(=O)(=O)C1=CSC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030982	0	42	0.0	-89.41	360.68	4.46	-84.95
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012030983	1	39	0.0	-75.08	340.70	9.54	-65.54
CC1=NSC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030984	0	39	0.0	-86.88	315.67	8.68	-78.20
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012030985	0	55	0.0	-94.34	421.20	9.96	-84.38
CC1=NN(C2CCCC2)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030986	0	53	0.0	-83.25	400.12	11.49	-71.76
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1C(F)F	REAL300012030987	0	43	0.0	-78.24	333.48	11.21	-67.03
CC1=CC(Br)=C(F)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012030988	0	43	0.0	-81.29	361.39	11.78	-69.51
COC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1Br	REAL300012030989	0	44	0.0	-76.03	359.77	10.36	-65.67
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012030990	0	43	0.0	-90.63	341.14	9.16	-81.47
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012030991	0	40	0.0	-89.00	342.91	11.04	-77.96
CC1=C(F)C=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030992	0	43	0.0	-84.11	334.95	11.12	-72.99
CN1C=C(C2=CC=CC(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)=C2)C=N1	REAL300012030993	0	50	0.0	-85.76	395.00	11.73	-74.03
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012030994	0	50	0.0	-105.72	401.18	12.86	-92.86
CC1=CC=C(Br)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030995	0	43	0.0	-81.36	351.06	11.69	-69.67
COC1=C(C#N)C=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012030996	0	45	0.0	-90.41	364.67	10.26	-80.15
COC1=NC2=CC=C(C[NH2+]C3CCCC4=CC(C(=O)[O-])=CC=C43)C=C2S1	REAL300012030997	0	46	0.0	-90.95	379.29	8.27	-82.68
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=NC(Br)=C1	REAL300012030998	0	39	0.0	-90.86	331.20	9.18	-81.68
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012030999	0	40	0.0	-80.72	348.38	11.46	-69.26
CC1=NC(Cl)=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031000	0	42	0.0	-89.67	341.58	9.69	-79.98
CC(C)(C)COC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012031001	0	56	0.0	-80.85	426.67	12.78	-68.07
COC1=CC(Cl)=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012031002	0	44	0.0	-84.56	361.12	10.26	-74.30
COC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CC(F)=C1F	REAL300012031003	0	44	0.0	-96.46	356.90	9.88	-86.58
COC1=CC(C)=NC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031004	0	46	0.0	-78.58	360.16	8.64	-69.94
CC(C)N1C=NC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012031005	0	46	0.0	-76.72	358.35	11.01	-65.71
CN1N=CC=C1C1=NNC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031006	0	47	0.0	-85.77	377.19	8.06	-77.71
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2CC2)=NO1	REAL300012031007	0	46	0.0	-87.79	363.46	10.82	-76.97
COC(=O)C1=C(C)NC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1C	REAL300012031008	0	50	0.0	-91.52	397.52	10.20	-81.32
CC(C)OC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)O1	REAL300012031009	0	47	0.0	-83.08	370.79	10.68	-72.40
CC1=CC(Br)=CC(C)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031010	0	46	0.0	-83.04	369.47	12.12	-70.92
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012031011	0	41	0.0	-76.73	348.33	8.19	-68.54
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012031012	1	43	0.0	-73.52	354.95	9.52	-64.00
N#CC1=CC(F)=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012031013	0	41	0.0	-95.70	342.15	10.91	-84.79
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012031014	0	56	0.0	-79.79	416.71	14.26	-65.53
COC1=CC=CC=C1C=CC[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031015	0	48	0.0	-81.35	374.29	11.10	-70.25
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)SC(Br)=C1	REAL300012031016	0	40	0.0	-81.79	345.17	10.84	-70.95
CC1=NN(C2CCC2)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031017	0	50	0.0	-83.73	382.65	10.83	-72.90
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=NN1CC(F)F	REAL300012031018	0	46	0.0	-88.18	370.22	9.90	-78.28
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012031019	0	48	0.0	-89.75	384.07	10.80	-78.95
CCCN1N=C(C)C(Cl)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031020	0	49	0.0	-83.63	397.25	10.71	-72.92
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031021	0	52	0.0	-87.40	413.00	12.55	-74.85
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031022	0	47	0.0	-92.00	378.19	9.71	-82.29
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012031023	0	53	0.0	-81.13	417.67	14.91	-66.22
CCCCC(=O)NC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012031024	0	56	0.0	-86.26	434.51	11.70	-74.56
COC1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=N1	REAL300012031025	0	46	0.0	-87.15	357.51	7.69	-79.46
CCN(C)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C)=C1	REAL300012031026	0	54	0.0	-77.59	403.04	12.43	-65.16
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012031027	1	39	0.0	-81.36	342.17	9.66	-71.70
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012031028	0	37	0.0	-78.65	336.31	10.48	-68.17
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031029	0	61	0.0	-80.05	442.20	12.48	-67.57
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=NS1	REAL300012031030	0	39	0.0	-86.26	317.61	8.87	-77.39
COC1=CC(C)=CC(OC)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031031	0	51	0.0	-69.07	392.61	9.83	-59.24
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(CF)C=C1	REAL300012031032	0	43	0.0	-83.20	342.82	11.28	-71.92
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012031033	0	44	0.0	-90.33	376.90	10.79	-79.54
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012031034	0	43	0.0	-86.20	351.80	11.82	-74.38
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012031035	0	49	0.0	-87.23	384.25	12.12	-75.11
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1CO	REAL300012031036	0	44	0.0	-83.80	339.04	7.90	-75.90
CC1=NSC(C)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031037	0	42	0.0	-86.78	336.21	9.30	-77.48
CC(C)(C)C1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=NO1	REAL300012031038	0	48	0.0	-81.56	354.85	10.42	-71.14
CC1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1C(F)(F)F	REAL300012031039	0	46	0.0	-74.64	357.16	11.91	-62.73
C=CCN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300012031040	0	44	0.0	-84.44	352.03	9.68	-74.76
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012031041	0	43	0.0	-85.71	341.12	9.15	-76.56
CCC(C)C1=CC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=C1	REAL300012031042	0	52	0.0	-79.73	393.54	13.04	-66.69
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012031043	0	45	0.0	-88.86	379.96	10.82	-78.04
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012031044	0	47	0.0	-83.95	375.83	9.11	-74.84
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031045	0	53	0.0	-83.44	416.40	13.05	-70.39
CC(F)(F)C1=CC=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=N1	REAL300012031046	0	45	0.0	-85.97	363.98	10.40	-75.57
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012031047	0	40	0.0	-83.73	346.96	11.19	-72.54
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012031048	0	50	0.0	-79.79	370.23	12.82	-66.97
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031049	0	47	0.0	-87.04	374.54	12.35	-74.69
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012031050	0	43	0.0	-86.13	358.36	11.47	-74.66
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012031051	0	46	0.0	-96.48	367.24	10.36	-86.12
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C=CC2=CC=CC=C21	REAL300012031052	0	49	0.0	-82.00	371.80	13.20	-68.80
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031053	0	58	0.0	-82.87	440.04	12.10	-70.77
COC1=C2C=CNC2=CC=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031054	0	48	0.0	-79.47	375.90	9.86	-69.61
CC1=NC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C(C)S1	REAL300012031055	0	42	0.0	-76.95	340.95	8.89	-68.06
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012031056	0	53	0.0	-82.88	400.00	7.45	-75.43
COC1=CC=C(OC)C(OC)=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031057	0	52	0.0	-73.17	402.05	9.06	-64.11
CCCN1N=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1C	REAL300012031058	0	49	0.0	-82.48	378.71	10.37	-72.11
O=C([O-])C1=CC=C2C(=C1)CCCC2[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012031059	0	57	0.0	-71.44	425.52	12.31	-59.13
CC1=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C2=NC=CC=C2C=C1	REAL300012031060	0	48	0.0	-73.46	371.53	11.51	-61.95
CC1=CC(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=CN=C1N1C=CC=N1	REAL300012031061	0	49	0.0	-92.71	386.98	11.79	-80.92
COC(=O)C1=CN(C)C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)=C1	REAL300012031062	0	47	0.0	-90.78	376.80	10.57	-80.21
CCCN1N=C(C)C=C1C[NH2+]C1CCCC2=CC(C(=O)[O-])=CC=C21	REAL300012031063	0	49	0.0	-85.66	376.21	10.30	-75.36
CN1C=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)C(C2CCC2)=N1	REAL300012031064	0	50	0.0	-84.91	386.00	10.88	-74.03
CC(C)(C)C1=NC=C(C[NH2+]C2CCCC3=CC(C(=O)[O-])=CC=C32)O1	REAL300012031065	0	48	0.0	-83.47	374.05	7.94	-75.53
CC1=CC=C(N2C=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C(C(C)(C)C)=N2)C=C1	REAL300012031066	0	62	0.0	-49.61	445.46	13.60	-36.01
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CN=C3C=C2)CC2CCC1C2	REAL300012031067	0	45	0.0	-50.43	339.64	9.67	-40.76
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OCC1=CC=CC=C1	REAL300012031068	0	58	0.0	-51.99	439.02	12.47	-39.52
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031069	0	50	0.0	-44.94	398.25	11.36	-33.58
CC(C)(C)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031070	0	52	0.0	-44.16	374.71	11.63	-32.53
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=CC=C2)CC2CCC1C2	REAL300012031071	0	47	0.0	-47.40	354.83	9.15	-38.25
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)O2)CC2CCC1C2	REAL300012031072	0	37	0.0	-44.86	300.96	8.17	-36.69
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031073	0	50	0.0	-52.01	376.87	11.10	-40.91
N#CCCN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2=CC=CC=C2)=N1	REAL300012031074	0	54	0.0	-57.98	420.08	11.82	-46.16
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OC(F)F	REAL300012031075	0	48	0.0	-50.87	367.02	8.78	-42.09
CCCOC1=CC=C(Br)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031076	0	50	0.0	-43.89	391.17	11.01	-32.88
CCOC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OC	REAL300012031077	0	51	0.0	-50.68	379.11	9.42	-41.26
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)CC2CCC1C2	REAL300012031078	0	54	0.0	-45.41	408.37	12.65	-32.76
CCCCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031079	0	56	0.0	-47.11	414.36	11.89	-35.22
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)CC2CCC1C2	REAL300012031080	0	49	0.0	-49.85	386.96	11.86	-37.99
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)CC2CCC1C2	REAL300012031081	0	49	0.0	-50.98	386.94	11.86	-39.12
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1Br	REAL300012031082	0	44	0.0	-51.33	348.43	9.26	-42.07
CC(C)OC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031083	0	50	0.0	-44.24	366.48	10.22	-34.02
CCCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC	REAL300012031084	0	57	0.0	-50.50	422.11	11.00	-39.50
CCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC	REAL300012031085	0	54	0.0	-50.50	400.61	10.22	-40.28
C=CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC	REAL300012031086	0	52	0.0	-50.95	392.02	10.00	-40.95
CCCCCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC	REAL300012031087	0	63	0.0	-50.44	465.11	12.56	-37.88
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)CC2CCC1C2	REAL300012031088	0	47	0.0	-45.73	375.49	11.71	-34.02
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)CC2CCC1C2	REAL300012031089	0	47	0.0	-44.26	375.64	11.75	-32.51
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)CC2CCC1C2	REAL300012031090	0	47	0.0	-44.91	382.96	12.59	-32.32
O=C([O-])C1(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)CC2CCC1C2	REAL300012031091	0	50	0.0	-52.10	382.75	10.97	-41.13
CCC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C2=CC=CC=C2O1	REAL300012031092	0	49	0.0	-47.62	363.63	11.26	-36.36
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)CC2CCC1C2	REAL300012031093	0	49	0.0	-47.78	382.86	12.48	-35.30
O=C([O-])C1(C[NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)CC2CCC1C2	REAL300012031094	0	46	0.0	-43.35	369.77	10.16	-33.19
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OC(F)(F)F)CC2CCC1C2	REAL300012031095	0	44	0.0	-48.72	343.11	9.16	-39.56
O=C([O-])C1(C[NH2+]CC2=CC=C(SC(F)(F)F)C=C2)CC2CCC1C2	REAL300012031096	0	44	0.0	-47.32	354.91	10.77	-36.55
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C([N+](=O)[O-])C=C1O	REAL300012031097	0	47	0.0	-59.30	358.39	7.00	-52.30
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(Cl)=C1	REAL300012031098	0	44	0.0	-49.30	340.69	9.03	-40.27
O=C([O-])C1(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2)CC2CCC1C2	REAL300012031099	0	44	0.0	-47.85	344.51	9.10	-38.75
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S2)CC2CCC1C2	REAL300012031100	0	49	0.0	-50.18	394.42	12.74	-37.44
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)CC2CCC1C2	REAL300012031101	0	49	0.0	-49.50	391.31	12.65	-36.85
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)CC2CCC1C2	REAL300012031102	0	47	0.0	-56.28	361.13	9.21	-47.07
CC1=CC=C(C2=NNC=C2C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031103	0	50	0.0	-47.26	376.26	9.84	-37.42
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=CS2)CC2CCC1C2	REAL300012031104	0	44	0.0	-48.66	342.13	8.44	-40.22
COC1=CC=C(C2=NNC=C2C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031105	0	51	0.0	-55.45	384.19	8.44	-47.01
O=C([O-])C1(C[NH2+]CC2=CSC3=CC=CC=C23)CC2CCC1C2	REAL300012031106	0	43	0.0	-46.85	335.41	10.68	-36.17
CCOC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=NN1CC(C)C	REAL300012031107	0	59	0.0	-42.93	435.35	9.86	-33.07
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CC=C3OC2)CC2CCC1C2	REAL300012031108	0	46	0.0	-48.72	344.44	9.78	-38.94
CC1=CC=C(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)O2)C=C1	REAL300012031109	0	50	0.0	-45.30	380.16	11.87	-33.43
CC1=CC=C(C2=NNC=C2C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)O1	REAL300012031110	0	47	0.0	-50.43	359.51	8.41	-42.02
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=CN=C2)CC2CCC1C2	REAL300012031111	0	46	0.0	-44.43	349.47	7.37	-37.06
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)CC2CCC1C2	REAL300012031112	0	53	0.0	-51.28	399.18	8.32	-42.96
O=C([O-])C1(C[NH2+]CC2=CC=C(OCC3CCCO3)C=C2)CC2CCC1C2	REAL300012031113	0	55	0.0	-50.79	406.71	9.90	-40.89
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)CC2CCC1C2	REAL300012031114	0	47	0.0	-45.37	372.64	12.14	-33.23
O=C([O-])C1(C[NH2+]CC2=CC=CC3=CC=CN=C32)CC2CCC1C2	REAL300012031115	0	45	0.0	-47.73	338.17	9.83	-37.90
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)CC2CCC1C2	REAL300012031116	0	53	0.0	-45.93	401.19	10.94	-34.99
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031117	0	49	0.0	-45.14	369.38	8.31	-36.83
O=C([O-])C1(C[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)CC2CCC1C2	REAL300012031118	0	47	0.0	-54.20	356.87	10.51	-43.69
O=C([O-])C1(C[NH2+]CC2=CC=C(N3C=NC=N3)C=C2)CC2CCC1C2	REAL300012031119	0	46	0.0	-56.46	351.80	11.83	-44.63
CC(C)N1N=CC2=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=C(Cl)N=C21	REAL300012031120	0	51	0.0	-47.43	397.22	10.40	-37.03
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)CC2CCC1C2	REAL300012031121	0	47	0.0	-45.65	383.15	12.60	-33.05
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OCC1=CC=NC=C1	REAL300012031122	0	57	0.0	-53.97	433.90	10.70	-43.27
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)CC2CCC1C2	REAL300012031123	0	47	0.0	-46.79	375.60	12.25	-34.54
O=C([O-])C1(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)CC2CCC1C2	REAL300012031124	0	43	0.0	-42.44	348.97	10.77	-31.67
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C=C2Cl)CC2CCC1C2	REAL300012031125	0	40	0.0	-49.71	317.63	9.81	-39.90
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C(Cl)=C2)CC2CCC1C2	REAL300012031126	0	40	0.0	-52.48	321.11	9.86	-42.62
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)CC2CCC1C2	REAL300012031127	0	43	0.0	-55.55	342.84	10.35	-45.20
CCOC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031128	0	47	0.0	-47.58	349.87	9.53	-38.05
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC=C2Cl)CC2CCC1C2	REAL300012031129	0	40	0.0	-45.56	327.80	10.25	-35.31
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C=C2C(F)(F)F)CC2CCC1C2	REAL300012031130	0	43	0.0	-42.32	333.46	10.43	-31.89
O=C([O-])C1(C[NH2+]CC2=CC(F)=C(F)C(F)=C2)CC2CCC1C2	REAL300012031131	0	40	0.0	-55.36	317.52	9.49	-45.87
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)CC2CCC1C2	REAL300012031132	0	43	0.0	-51.35	343.65	10.36	-40.99
O=C([O-])C1(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2F)CC2CCC1C2	REAL300012031133	0	43	0.0	-44.23	341.64	10.34	-33.89
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(Cl)=C1OC	REAL300012031134	0	48	0.0	-52.70	373.03	9.07	-43.63
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CC=C3S2)CC2CCC1C2	REAL300012031135	0	43	0.0	-44.28	335.90	10.85	-33.43
O=C([O-])C1(C[NH2+]CC2=CC=C(Cl)C(F)=C2)CC2CCC1C2	REAL300012031136	0	40	0.0	-52.73	321.11	9.87	-42.86
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC=C2OC(F)F)CC2CCC1C2	REAL300012031137	0	44	0.0	-46.90	352.99	9.45	-37.45
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)CC2CCC1C2	REAL300012031138	0	47	0.0	-44.49	382.95	12.58	-31.91
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=C2)=C1	REAL300012031139	0	55	0.0	-50.55	430.65	12.97	-37.58
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)CC2CCC1C2	REAL300012031140	0	50	0.0	-51.67	380.74	7.82	-43.85
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OCC(F)(F)F	REAL300012031141	0	51	0.0	-53.98	398.69	9.88	-44.10
O=C([O-])C1(C[NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)CC2CCC1C2	REAL300012031142	0	53	0.0	-50.75	404.66	10.81	-39.94
CC(C)C1=NN(C)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031143	0	49	0.0	-49.54	363.60	8.94	-40.60
O=C([O-])C1(C[NH2+]CC2=CC(Br)=C3OCCOC3=C2)CC2CCC1C2	REAL300012031144	0	46	0.0	-50.12	363.36	9.12	-41.00
O=C([O-])C1(C[NH2+]CC2=CC=C(N3C=CC(C(F)(F)F)=N3)C=C2)CC2CCC1C2	REAL300012031145	0	50	0.0	-56.84	398.04	11.46	-45.38
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031146	0	49	0.0	-42.85	378.61	9.25	-33.60
COCCOC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031147	0	51	0.0	-49.11	383.50	8.80	-40.31
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1Cl	REAL300012031148	0	44	0.0	-51.38	344.05	9.15	-42.23
O=C([O-])C1(C[NH2+]CC2=CSC(C3=CC=CC=N3)=N2)CC2CCC1C2	REAL300012031149	0	45	0.0	-44.38	358.78	8.23	-36.15
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031150	0	52	0.0	-54.19	379.90	10.87	-43.32
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=N1	REAL300012031151	0	56	0.0	-51.70	416.70	9.21	-42.49
O=C([O-])C1(C[NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)CC2CCC1C2	REAL300012031152	0	47	0.0	-50.08	369.44	9.99	-40.09
O=C([O-])C1(C[NH2+]CC2=CC=CC3=C2OCCO3)CC2CCC1C2	REAL300012031153	0	46	0.0	-47.61	341.31	8.50	-39.11
O=C([O-])C1(C[NH2+]CC2=CC=CC3=C2OCCCO3)CC2CCC1C2	REAL300012031154	0	49	0.0	-46.25	358.19	9.31	-36.94
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031155	0	52	0.0	-45.32	384.28	11.37	-33.95
CCCOC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031156	0	50	0.0	-47.35	371.37	10.33	-37.02
O=C([O-])C1(C[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)CC2CCC1C2	REAL300012031157	0	47	0.0	-45.14	364.42	11.88	-33.26
O=C([O-])C1(C[NH2+]CC2=CC=CC(OC3CCCC3)=C2)CC2CCC1C2	REAL300012031158	0	54	0.0	-47.02	392.70	11.52	-35.50
CC(C)OC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031159	0	50	0.0	-47.18	368.32	10.19	-36.99
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012031160	0	53	0.0	-53.85	407.28	11.32	-42.53
CC1=CC=C(C2=NC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CS2)C=C1	REAL300012031161	0	49	0.0	-42.54	384.76	10.77	-31.77
CC(C)C1=NC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CS1	REAL300012031162	0	45	0.0	-40.73	346.28	8.34	-32.39
O=C([O-])C1(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)CC2CCC1C2	REAL300012031163	0	54	0.0	-48.43	413.50	12.75	-35.68
O=C([O-])C1(C[NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)CC2CCC1C2	REAL300012031164	0	50	0.0	-44.43	394.95	9.62	-34.81
CC1=CC=C(OCC2=NC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CS2)C=C1	REAL300012031165	0	53	0.0	-44.37	416.35	10.29	-34.08
CC(C)(C)C1=NC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CS1	REAL300012031166	0	48	0.0	-40.56	365.22	8.85	-31.71
O=C([O-])C1(C[NH2+]CC2=CSC(C3=CSC=C3)=N2)CC2CCC1C2	REAL300012031167	0	43	0.0	-42.24	354.39	9.03	-33.21
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)CC2CCC1C2	REAL300012031168	0	47	0.0	-45.16	372.65	12.14	-33.02
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031169	0	54	0.0	-54.93	405.60	10.18	-44.75
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OC2CCCC2)CC2CCC1C2	REAL300012031170	0	54	0.0	-43.63	392.25	11.57	-32.06
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031171	0	57	0.0	-45.72	430.52	10.22	-35.50
CC1=CC=C(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)S2)C=C1	REAL300012031172	0	50	0.0	-44.48	387.63	12.75	-31.73
O=C([O-])C1(C[NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)CC2CCC1C2	REAL300012031173	0	46	0.0	-51.46	364.47	9.60	-41.86
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031174	0	44	0.0	-49.43	360.76	9.74	-39.69
O=C([O-])C1(C[NH2+]CC2=CC(Br)=CC=C2Cl)CC2CCC1C2	REAL300012031175	0	40	0.0	-45.38	332.37	10.35	-35.03
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC=C2Br)CC2CCC1C2	REAL300012031176	0	40	0.0	-45.07	331.39	10.36	-34.71
O=C([O-])C1(C[NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)CC2CCC1C2	REAL300012031177	0	51	0.0	-46.91	399.92	12.28	-34.63
CCOC1=C(OC)C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC	REAL300012031178	0	55	0.0	-53.45	412.27	9.36	-44.09
COCCCOC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031179	0	54	0.0	-49.29	405.04	9.40	-39.89
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CN=C1Cl	REAL300012031180	0	42	0.0	-53.63	328.89	8.52	-45.11
COC1=CC=C(OC(F)F)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031181	0	48	0.0	-46.80	365.74	8.21	-38.59
O=C([O-])C1(C[NH2+]CC2=C(Cl)C=CC=C2OC(F)F)CC2CCC1C2	REAL300012031182	0	44	0.0	-43.80	350.36	9.34	-34.46
O=C([O-])C1(C[NH2+]CC2=CC=CC(OCCCC3=CC=CC=C3)=C2)CC2CCC1C2	REAL300012031183	0	60	0.0	-48.99	452.77	14.13	-34.86
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OC1=CC=CN=C1	REAL300012031184	0	53	0.0	-49.26	402.70	11.12	-38.14
O=C(COC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2)NCC1CC1	REAL300012031185	0	58	0.0	-53.89	440.21	10.58	-43.31
CC1=CC=C(C2=NC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)S2)C=C1	REAL300012031186	0	49	0.0	-47.52	384.94	11.00	-36.52
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)CC2CCC1C2	REAL300012031187	0	45	0.0	-45.78	354.99	10.34	-35.44
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)CC2CCC1C2	REAL300012031188	0	45	0.0	-49.75	343.76	9.87	-39.88
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)CC2CCC1C2	REAL300012031189	0	45	0.0	-46.55	344.69	9.90	-36.65
O=C([O-])C1(C[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)CC2CCC1C2	REAL300012031190	0	45	0.0	-49.15	352.60	10.26	-38.89
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)CC2CCC1C2	REAL300012031191	0	47	0.0	-47.18	373.25	11.36	-35.82
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)O1	REAL300012031192	0	50	0.0	-45.84	385.71	11.94	-33.90
CCC1=CC=C(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)O2)C=C1	REAL300012031193	0	53	0.0	-45.13	401.64	12.63	-32.50
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(OC(F)F)=C1	REAL300012031194	0	48	0.0	-51.10	365.87	8.23	-42.87
COC1=CC=C2OC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CC2=C1	REAL300012031195	0	47	0.0	-48.71	355.74	9.11	-39.60
O=C([O-])C1(C[NH2+]CC=CC2=CC=C(Cl)C=C2)CC2CCC1C2	REAL300012031196	0	44	0.0	-47.01	346.28	11.12	-35.89
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C2=CC=CC=C2O1	REAL300012031197	0	46	0.0	-46.24	347.46	10.48	-35.76
O=C([O-])C1(C[NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)CC2CCC1C2	REAL300012031198	0	48	0.0	-47.61	365.03	11.02	-36.59
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1Br	REAL300012031199	0	43	0.0	-44.83	338.01	10.49	-34.34
O=C([O-])C1(C[NH2+]CC=CC2=CC=C(F)C=C2F)CC2CCC1C2	REAL300012031200	0	44	0.0	-49.30	341.36	10.70	-38.60
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1Br	REAL300012031201	0	43	0.0	-47.42	338.01	10.49	-36.93
O=C([O-])C1(C[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)CC2CCC1C2	REAL300012031202	0	47	0.0	-44.75	357.28	10.42	-34.33
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC3=C2OCC3)CC2CCC1C2	REAL300012031203	0	45	0.0	-45.96	350.87	9.65	-36.31
O=C([O-])C1(C[NH2+]CC2=CC3=C(F)C=CC=C3N2)CC2CCC1C2	REAL300012031204	0	44	0.0	-49.14	336.78	9.31	-39.83
O=C([O-])C1(C[NH2+]CC2=CC3=CC=C(F)C=C3N2)CC2CCC1C2	REAL300012031205	0	44	0.0	-50.75	336.68	9.31	-41.44
CCOC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=N1	REAL300012031206	0	46	0.0	-43.23	347.54	6.90	-36.33
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC2=CC=CN=C12	REAL300012031207	0	48	0.0	-50.04	359.76	10.50	-39.54
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1Cl	REAL300012031208	0	43	0.0	-47.39	333.97	10.41	-36.98
O=C([O-])C1(C[NH2+]CC2=CN=C3C=CSC3=C2)CC2CCC1C2	REAL300012031209	0	42	0.0	-51.70	330.38	8.78	-42.92
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)O2)C=C1	REAL300012031210	0	59	0.0	-44.88	434.87	13.51	-31.37
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031211	0	60	0.0	-38.06	418.23	12.37	-25.69
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031212	0	60	0.0	-42.28	440.83	12.42	-29.86
CCCC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031213	0	49	0.0	-44.13	362.90	11.51	-32.62
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031214	0	58	0.0	-47.35	433.55	14.08	-33.27
CCN(CC)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1F	REAL300012031215	0	54	0.0	-50.85	397.79	10.36	-40.49
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C(SC)C=C1OC	REAL300012031216	0	52	0.0	-48.18	392.74	9.43	-38.75
COC1=CC=C2N=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)SC2=C1	REAL300012031217	0	46	0.0	-48.56	359.92	8.04	-40.52
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031218	0	46	0.0	-47.13	361.66	10.16	-36.97
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1C#N	REAL300012031219	0	45	0.0	-58.62	348.23	9.01	-49.61
O=C([O-])C1(C[NH2+]CC2=CC=C(SC(F)F)C=C2)CC2CCC1C2	REAL300012031220	0	44	0.0	-47.56	348.33	10.57	-36.99
CC1=CC(Cl)=CC(C)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031221	0	46	0.0	-45.69	348.41	10.86	-34.83
O=C([O-])C1(C[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)CC2CCC1C2	REAL300012031222	0	44	0.0	-52.96	344.00	8.95	-44.01
CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)N=C1	REAL300012031223	0	46	0.0	-43.24	344.79	7.67	-35.57
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031224	0	46	0.0	-48.59	352.37	10.94	-37.65
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC(Cl)=C1OC	REAL300012031225	0	48	0.0	-53.07	377.22	9.14	-43.93
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OCC(C)C	REAL300012031226	0	57	0.0	-50.02	420.72	10.90	-39.12
CCCOC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OC	REAL300012031227	0	54	0.0	-50.43	400.61	10.22	-40.21
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)S2)CC2CCC1C2	REAL300012031228	0	37	0.0	-44.65	310.29	9.12	-35.53
CCOC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC(Cl)=C1OC	REAL300012031229	0	51	0.0	-52.90	399.08	10.06	-42.84
C=CCOC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031230	0	48	0.0	-47.72	362.77	10.11	-37.61
COC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1OC(C)C	REAL300012031231	0	54	0.0	-41.43	394.30	10.48	-30.95
CCOC1=C(Cl)C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC	REAL300012031232	0	51	0.0	-53.41	399.08	10.09	-43.32
CCCOC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=CC=C1OCC	REAL300012031233	0	57	0.0	-42.63	423.02	11.28	-31.35
CCCCOC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OC	REAL300012031234	0	57	0.0	-49.44	422.11	11.00	-38.44
CCCOC1=C(Cl)C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OCC	REAL300012031235	0	57	0.0	-53.29	442.43	11.81	-41.48
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC(F)F	REAL300012031236	0	48	0.0	-46.64	367.02	8.79	-37.85
CCOC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OC(F)F	REAL300012031237	0	51	0.0	-50.71	388.87	9.70	-41.01
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC(C)=C1OC(F)F	REAL300012031238	0	50	0.0	-48.70	375.84	10.29	-38.41
CCOC1=CC2=C(C=C1C[NH2+]CC1(C(=O)[O-])CC3CCC1C3)OC(C)C2	REAL300012031239	0	55	0.0	-44.10	405.52	10.19	-33.91
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC2=C1OCCO2	REAL300012031240	0	50	0.0	-53.24	372.21	8.33	-44.91
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)CC2CCC1C2	REAL300012031241	0	49	0.0	-49.19	393.00	10.73	-38.46
CCCCN1N=C(C)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1Cl	REAL300012031242	0	52	0.0	-46.27	401.46	10.35	-35.92
CCOC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1OC(F)F	REAL300012031243	0	51	0.0	-42.62	386.82	9.84	-32.78
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OCC(=O)N2CCCC2)CC2CCC1C2	REAL300012031244	0	58	0.0	-55.42	432.74	11.46	-43.96
CC1=CC(C)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1C	REAL300012031245	0	49	0.0	-43.53	351.64	11.11	-32.42
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC=C3)S2)CC2CCC1C2	REAL300012031246	0	47	0.0	-44.42	366.25	12.07	-32.35
CCCOC1=C(Cl)C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC	REAL300012031247	0	54	0.0	-53.37	420.57	10.89	-42.48
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031248	0	62	0.0	-49.88	449.47	13.39	-36.49
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)CC2CCC1C2	REAL300012031249	0	47	0.0	-46.59	373.46	11.37	-35.22
CC(C)(C[NH2+]CC1(C(=O)[O-])CC2CCC1C2)C1=CC=CC=C1	REAL300012031250	0	49	0.0	-42.83	346.45	11.00	-31.83
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2CCCCC2)=N1	REAL300012031251	0	56	0.0	-49.26	405.22	10.84	-38.42
CC(CCC1=CC=CC=C1)C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031252	0	52	0.0	-43.25	377.42	12.17	-31.08
CC1(C)CCC2=C(C1)SC(C[NH2+]CC1(C(=O)[O-])CC3CCC1C3)=N2	REAL300012031253	0	52	0.0	-46.26	382.80	9.96	-36.30
CCC1=CC=CC(Cl)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031254	0	46	0.0	-43.08	348.13	10.95	-32.13
CC1=C(C)C=C2OC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CC2=C1	REAL300012031255	0	49	0.0	-46.32	364.57	11.02	-35.30
CCCC1CCC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)CC1	REAL300012031256	0	55	0.0	-42.31	379.96	11.64	-30.67
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)CC2CCC1C2	REAL300012031257	0	47	0.0	-54.99	371.46	9.66	-45.33
O=C([O-])C1(C[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)CC2CCC1C2	REAL300012031258	0	47	0.0	-53.00	354.33	11.68	-41.32
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)CC2CCC1C2	REAL300012031259	0	47	0.0	-45.19	367.18	11.31	-33.88
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=C3OCCOC3=C2)CC2CCC1C2	REAL300012031260	0	46	0.0	-50.43	358.98	8.99	-41.44
CCCCC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C2=CC=CC=C2O1	REAL300012031261	0	55	0.0	-47.56	406.63	12.81	-34.75
O=C([O-])C1(C[NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)CC2CCC1C2	REAL300012031262	0	53	0.0	-54.51	405.28	13.96	-40.55
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031263	0	53	0.0	-48.20	400.27	11.44	-36.76
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)CC2CCC1C2	REAL300012031264	0	49	0.0	-50.48	377.40	9.79	-40.69
O=C([O-])C1(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3Cl)=C2)CC2CCC1C2	REAL300012031265	0	54	0.0	-47.95	422.94	13.16	-34.79
COC1=CC=C(C)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031266	0	47	0.0	-44.23	347.95	9.33	-34.90
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1F	REAL300012031267	0	44	0.0	-53.46	334.24	8.67	-44.79
O=C([O-])C1(C[NH2+]CC2CCC(C(F)(F)F)CC2)CC2CCC1C2	REAL300012031268	0	49	0.0	-42.36	349.87	10.33	-32.03
CC(C)C1CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)CCO1	REAL300012031269	0	53	0.0	-43.91	369.51	9.35	-34.56
O=C([O-])C1(C[NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)CC2CCC1C2	REAL300012031270	0	47	0.0	-57.16	375.67	10.07	-47.09
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)CC2CCC1C2	REAL300012031271	0	46	0.0	-47.12	374.95	9.90	-37.22
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)CC2CCC1C2	REAL300012031272	0	46	0.0	-47.67	374.00	9.70	-37.97
CCSC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031273	0	47	0.0	-47.66	360.19	11.16	-36.50
O=C([O-])C1(C[NH2+]CC2=C(O)C=CC(Cl)=C2F)CC2CCC1C2	REAL300012031274	1	41	0.0	-39.87	329.69	7.04	-32.83
CCN1N=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C2=CC=CC=C21	REAL300012031275	0	49	0.0	-44.43	370.27	10.09	-34.34
COCCC1(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)CCCCC1	REAL300012031276	0	56	0.0	-42.56	377.35	9.53	-33.03
O=C([O-])C1(C[NH2+]CC2=CC(Br)=C(Cl)S2)CC2CCC1C2	REAL300012031277	0	37	0.0	-47.37	326.24	9.61	-37.76
CCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031278	0	50	0.0	-47.10	371.37	10.33	-36.77
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)O2)CC2CCC1C2	REAL300012031279	0	47	0.0	-46.15	390.64	12.16	-33.99
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031280	0	53	0.0	-46.89	417.34	11.78	-35.11
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC=C3)O2)CC2CCC1C2	REAL300012031281	0	47	0.0	-45.37	358.76	11.19	-34.18
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OC(C)C	REAL300012031282	0	54	0.0	-50.39	397.53	10.08	-40.31
CCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OCC	REAL300012031283	0	57	0.0	-50.33	422.47	11.14	-39.19
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1[N+](=O)[O-]	REAL300012031284	0	45	0.0	-59.19	345.38	10.61	-48.58
CC(C)OC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031285	0	50	0.0	-47.28	367.83	10.15	-37.13
CCCCCCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031286	0	62	0.0	-46.97	457.36	13.45	-33.52
CC(C[NH2+]CC1(C(=O)[O-])CC2CCC1C2)CC1=CC=C(C(C)(C)C)C=C1	REAL300012031287	0	61	0.0	-45.18	431.44	13.67	-31.51
O=C([O-])C1(C[NH2+]CC2=C(Br)C=CS2)CC2CCC1C2	REAL300012031288	0	37	0.0	-42.09	308.83	8.97	-33.12
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2N2CCOCC2)CC2CCC1C2	REAL300012031289	0	53	0.0	-43.50	384.29	8.88	-34.62
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC=C2Br)CC2CCC1C2	REAL300012031290	0	40	0.0	-45.58	321.06	9.91	-35.67
CC(C)CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031291	0	52	0.0	-44.01	379.71	11.98	-32.03
CC1=CC=C(C2=CC=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=C2)C=C1	REAL300012031292	0	53	0.0	-46.59	394.13	13.38	-33.21
COC1=CC=C(Br)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031293	0	44	0.0	-39.74	343.28	9.18	-30.56
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1[N+](=O)[O-]	REAL300012031294	0	46	0.0	-55.14	354.04	10.04	-45.10
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)CC2CCC1C2	REAL300012031295	0	40	0.0	-48.18	331.97	10.31	-37.87
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC(Cl)=C2)CC2CCC1C2	REAL300012031296	0	40	0.0	-49.09	321.66	9.88	-39.21
O=C([O-])C1(C[NH2+]CC2=CC(Br)=CO2)CC2CCC1C2	REAL300012031297	0	37	0.0	-46.48	300.97	8.08	-38.40
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031298	0	53	0.0	-44.92	394.57	13.38	-31.54
O=C([O-])C1(C[NH2+]CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)CC2CCC1C2	REAL300012031299	0	46	0.0	-51.93	376.31	11.31	-40.62
O=C([O-])C1(C[NH2+]CC2=CC=CC(OC(F)F)=C2)CC2CCC1C2	REAL300012031300	0	44	0.0	-50.06	337.77	8.88	-41.18
CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OCC	REAL300012031301	0	54	0.0	-50.48	400.97	10.34	-40.14
O=C([O-])C1(C[NH2+]CC2=CC=C(Cl)C=C2F)CC2CCC1C2	REAL300012031302	0	40	0.0	-50.52	320.82	9.85	-40.67
O=C([O-])C1(C[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)CC2CCC1C2	REAL300012031303	0	43	0.0	-54.46	350.41	10.71	-43.75
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C=C2Br)CC2CCC1C2	REAL300012031304	0	40	0.0	-49.20	321.21	9.91	-39.29
O=C([O-])C1(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)CC2CCC1C2	REAL300012031305	0	44	0.0	-49.86	344.51	9.10	-40.76
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC=C2F)CC2CCC1C2	REAL300012031306	0	40	0.0	-47.02	320.67	9.84	-37.18
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031307	0	54	0.0	-47.22	406.58	12.36	-34.86
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)CC2CCC1C2	REAL300012031308	0	50	0.0	-46.00	397.80	12.20	-33.80
O=C([O-])C1(C[NH2+]CC2=CC=CC(Cl)=C2F)CC2CCC1C2	REAL300012031309	0	40	0.0	-52.68	320.16	9.83	-42.85
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C2=CC=CC=C12	REAL300012031310	0	50	0.0	-48.65	367.84	10.79	-37.86
O=C([O-])C1(C[NH2+]CC2=NNC=C2C2=CC=CC=C2)CC2CCC1C2	REAL300012031311	0	47	0.0	-43.23	355.65	9.15	-34.08
O=C([O-])C1(C[NH2+]CC2=C(C3=CC=CC=C3)C=NN2)CC2CCC1C2	REAL300012031311	1	47	0.0	-50.68	356.62	9.22	-41.46
CN1C2=CC=CC=C2N=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031312	0	46	0.0	-46.76	344.93	9.65	-37.11
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(Br)=C1O	REAL300012031313	0	45	0.0	-51.54	354.02	7.01	-44.53
O=C([O-])C1(C[NH2+]CC2=CC=C3OCCC3=C2)CC2CCC1C2	REAL300012031314	0	45	0.0	-47.88	334.40	9.15	-38.73
O=C([O-])C1(C[NH2+]CC2=CSC(Br)=C2)CC2CCC1C2	REAL300012031315	0	37	0.0	-48.12	310.17	8.98	-39.14
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OCC1=CC=CN=C1	REAL300012031316	0	57	0.0	-54.35	433.86	10.69	-43.66
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C(C2=CC=CC=C2)C=C1OC	REAL300012031317	0	58	0.0	-44.63	429.69	11.90	-32.73
O=C([O-])C1(C[NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)CC2CCC1C2	REAL300012031318	0	50	0.0	-47.34	372.73	12.71	-34.63
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)CC2CCC1C2	REAL300012031319	0	53	0.0	-44.92	403.21	10.86	-34.06
O=C([O-])C1(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)CC2CCC1C2	REAL300012031320	0	51	0.0	-48.21	372.44	9.21	-39.00
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)C(F)=C2)CC2CCC1C2	REAL300012031321	0	40	0.0	-52.72	325.52	9.97	-42.75
O=C([O-])C1(C[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)CC2CCC1C2	REAL300012031322	0	49	0.0	-44.51	370.24	11.18	-33.33
O=C([O-])C1(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)CC2CCC1C2	REAL300012031323	0	49	0.0	-50.12	367.74	10.94	-39.18
O=C([O-])C1(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)CC2CCC1C2	REAL300012031324	0	49	0.0	-49.96	367.93	10.96	-39.00
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031325	0	55	0.0	-45.42	392.52	9.85	-35.57
CN1CCN(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=C2)CC1	REAL300012031326	1	57	0.0	-45.86	407.61	8.00	-37.86
O=C([O-])C1(C[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)CC2CCC1C2	REAL300012031327	0	49	0.0	-51.75	379.62	7.79	-43.96
CNC(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031328	0	47	0.0	-57.01	354.98	7.58	-49.43
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)CC2CCC1C2	REAL300012031329	0	47	0.0	-53.57	363.76	10.58	-42.99
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031330	0	53	0.0	-47.97	410.59	11.89	-36.08
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)CC2CCC1C2	REAL300012031331	0	47	0.0	-52.96	374.08	11.03	-41.93
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031332	0	53	0.0	-53.93	409.46	11.66	-42.27
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC(C)=C1OCC1=CC=CC=N1	REAL300012031333	0	59	0.0	-49.23	444.35	12.39	-36.84
O=C([O-])C1(C[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)CC2CCC1C2	REAL300012031334	0	47	0.0	-50.41	369.44	9.99	-40.42
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CC=C3C=C2)CC2CCC1C2	REAL300012031335	0	46	0.0	-46.99	344.63	11.56	-35.43
COC1=C2OC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CC2=CC=C1	REAL300012031336	0	47	0.0	-47.71	355.75	9.11	-38.60
CC(C)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1[N+](=O)[O-]	REAL300012031337	0	51	0.0	-59.44	383.75	11.80	-47.64
O=C([O-])C1(C[NH2+]CC2=CC(Br)=C3OCOC3=C2)CC2CCC1C2	REAL300012031338	0	43	0.0	-51.69	345.87	8.58	-43.11
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031339	0	56	0.0	-50.55	417.33	11.77	-38.78
CCOC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OCC(C)C	REAL300012031340	0	60	0.0	-50.01	442.57	11.82	-38.19
O=C([O-])C1(C[NH2+]CC2=CC(Br)=CC=C2F)CC2CCC1C2	REAL300012031341	0	40	0.0	-46.87	325.24	9.94	-36.93
COC1=CC(Br)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC	REAL300012031342	0	48	0.0	-42.61	372.50	9.08	-33.53
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)C=C2F)CC2CCC1C2	REAL300012031343	0	40	0.0	-50.61	325.38	9.96	-40.65
COC1=CC(OC)=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031344	0	48	0.0	-47.27	357.51	7.91	-39.36
COC1=CC2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=C2C=C1	REAL300012031345	0	50	0.0	-48.53	373.97	10.85	-37.68
O=C([O-])C1(C[NH2+]CC2=CC(Br)=CS2)CC2CCC1C2	REAL300012031347	0	37	0.0	-45.61	310.07	9.02	-36.59
CCCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OCC	REAL300012031348	0	60	0.0	-50.32	443.97	11.92	-38.40
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031349	0	53	0.0	-51.84	394.83	11.39	-40.45
COC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1OC(F)F	REAL300012031350	0	48	0.0	-47.61	366.14	8.90	-38.71
O=C([O-])C1(C[NH2+]CC2=CC=C(CSC(F)F)O2)CC2CCC1C2	REAL300012031351	0	44	0.0	-45.70	359.04	9.88	-35.82
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CC=C3N=C2N2CCCCC2)CC2CCC1C2	REAL300012031352	0	60	0.0	-49.15	435.69	12.63	-36.52
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CC=C3NC2=O)CC2CCC1C2	REAL300012031353	0	46	0.0	-41.51	348.74	8.35	-33.16
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C(Br)=C2)CC2CCC1C2	REAL300012031355	0	40	0.0	-52.52	325.52	9.96	-42.56
CC1=CC=C(COC2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=C2)C=C1	REAL300012031356	0	57	0.0	-48.74	431.19	13.26	-35.48
O=C([O-])C1(C[NH2+]CC2=CC=C(N3CCCCC3)C=C2)CC2CCC1C2	REAL300012031357	0	55	0.0	-45.10	391.33	10.58	-34.52
CCCCCCOC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031358	0	59	0.0	-47.29	435.86	12.67	-34.62
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1SC	REAL300012031359	0	48	0.0	-50.60	367.43	9.65	-40.95
N#CCCCOC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031360	0	51	0.0	-54.00	392.22	10.85	-43.15
CCCCCOC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OC	REAL300012031361	0	60	0.0	-49.44	443.61	11.78	-37.66
CCC(C)OC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OC	REAL300012031362	0	57	0.0	-49.35	417.83	10.83	-38.52
CCCCCCCOC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031363	0	62	0.0	-47.23	457.36	13.45	-33.78
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OCCCC#N	REAL300012031364	0	55	0.0	-60.20	421.47	10.74	-49.46
C=C(C)COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OC	REAL300012031365	0	55	0.0	-50.73	411.43	10.78	-39.95
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OCCC(C)C	REAL300012031366	0	60	0.0	-50.04	439.68	11.52	-38.52
C=CCC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC(OC)=C1O	REAL300012031367	0	52	0.0	-49.81	393.38	8.45	-41.36
O=C([O-])C1(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)CC2CCC1C2	REAL300012031368	0	47	0.0	-52.25	357.80	9.23	-43.02
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031369	0	49	0.0	-48.88	376.58	10.26	-38.62
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031370	0	50	0.0	-52.13	395.90	7.82	-44.31
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=CC=C3)N=N2)CC2CCC1C2	REAL300012031371	0	46	0.0	-47.49	351.42	9.13	-38.36
O=C([O-])C1(C[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)CC2CCC1C2	REAL300012031372	0	46	0.0	-50.24	361.54	10.07	-40.17
O=C([O-])C1(C[NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)CC2CCC1C2	REAL300012031373	0	53	0.0	-51.75	392.56	8.44	-43.31
CN1C=NC2=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CC=C21	REAL300012031374	0	46	0.0	-54.27	346.79	10.64	-43.63
CCN1N=C(C)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1C	REAL300012031375	0	49	0.0	-49.46	362.21	8.95	-40.51
C=CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1Cl	REAL300012031376	0	48	0.0	-51.62	378.80	10.66	-40.96
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)CC2CCC1C2	REAL300012031377	0	46	0.0	-47.59	363.54	10.32	-37.27
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C2OC(C)CC2=C1	REAL300012031378	0	52	0.0	-47.87	384.80	9.17	-38.70
CC1(C)CC2=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CC=C2O1	REAL300012031379	0	51	0.0	-48.57	375.92	10.54	-38.03
O=C([O-])C1(C[NH2+]CC2=COC(C3=CC=CC=C3)=N2)CC2CCC1C2	REAL300012031380	0	46	0.0	-44.94	355.05	7.73	-37.21
O=C([O-])C1(C[NH2+]CC2=CSC(C3=CC=CS3)=N2)CC2CCC1C2	REAL300012031381	0	43	0.0	-42.41	354.99	9.13	-33.28
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031382	0	50	0.0	-47.11	376.08	9.83	-37.28
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)CC2CCC1C2	REAL300012031383	0	43	0.0	-50.61	353.97	10.80	-39.81
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)C=C2Cl)CC2CCC1C2	REAL300012031384	0	40	0.0	-48.91	332.52	10.36	-38.55
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(Br)=C1	REAL300012031385	0	43	0.0	-45.87	336.21	10.51	-35.36
CC(C)COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031386	0	53	0.0	-46.93	391.47	11.02	-35.91
COCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031387	0	51	0.0	-49.40	383.49	8.80	-40.60
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031388	0	55	0.0	-49.77	427.26	13.00	-36.77
O=C([O-])C1(C[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)CC2CCC1C2	REAL300012031389	0	44	0.0	-51.33	353.80	9.42	-41.91
O=C([O-])C1(C[NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)CC2CCC1C2	REAL300012031390	0	48	0.0	-49.60	391.56	10.76	-38.84
CN1N=C(C2=CC=CC=C2)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1Cl	REAL300012031391	0	50	0.0	-43.53	392.92	10.79	-32.74
COC1=CC2=C(C=C1C[NH2+]CC1(C(=O)[O-])CC3CCC1C3)OCO2	REAL300012031392	0	47	0.0	-47.57	352.67	7.31	-40.26
O=C([O-])C1(C[NH2+]CC2=CN=CC3=CC=CC=C32)CC2CCC1C2	REAL300012031393	0	45	0.0	-46.49	334.81	9.66	-36.83
CC(C)COC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031394	0	53	0.0	-47.03	391.47	11.02	-36.01
CC1=CC(Cl)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031395	0	43	0.0	-46.41	330.03	10.43	-35.98
O=C([O-])C1(C[NH2+]CC=CC2=CC=C(F)C=C2)CC2CCC1C2	REAL300012031396	0	44	0.0	-47.78	335.96	10.67	-37.11
O=C([O-])C1(C[NH2+]CC2=CN=CC(Br)=C2)CC2CCC1C2	REAL300012031397	0	39	0.0	-49.96	314.57	8.11	-41.85
CN1N=NC2=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CC=C21	REAL300012031398	0	45	0.0	-59.55	342.38	7.75	-51.80
CC1(C)CC2=CC=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=C2O1	REAL300012031399	0	51	0.0	-45.51	375.64	10.52	-34.99
O=C([O-])C1(C[NH2+]CC2=CC(Br)=CC3=C2OCC3)CC2CCC1C2	REAL300012031400	0	45	0.0	-45.69	355.45	9.76	-35.93
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2=CC=CC=C2)=N1	REAL300012031401	0	50	0.0	-53.68	377.69	10.44	-43.24
O=C([O-])C1(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)CC2CCC1C2	REAL300012031402	0	47	0.0	-45.61	356.93	10.50	-35.11
CC1=C(Br)SC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031403	0	40	0.0	-44.35	330.01	9.74	-34.61
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)C3=CC=CN=C23)CC2CCC1C2	REAL300012031404	0	45	0.0	-49.31	356.66	10.35	-38.96
CC1=NC2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=C2C=C1	REAL300012031405	0	48	0.0	-50.53	361.22	10.28	-40.25
COC1=CC=C(OC2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=C2)C=C1	REAL300012031406	0	55	0.0	-51.03	416.43	11.44	-39.59
O=C([O-])C1(C[NH2+]CC2=NC=CC=C2C(F)(F)F)CC2CCC1C2	REAL300012031407	0	42	0.0	-39.24	322.37	8.37	-30.87
CC1=CC(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=C2)=CC(C)=C1	REAL300012031408	0	56	0.0	-47.58	415.39	14.03	-33.55
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1N1C=NC=N1	REAL300012031409	0	49	0.0	-51.82	367.45	12.75	-39.07
O=C([O-])C1(C[NH2+]CC2=CC3=CC(F)=CC=C3O2)CC2CCC1C2	REAL300012031410	0	43	0.0	-48.31	332.69	9.89	-38.42
O=C([O-])C1(C[NH2+]CC2=CC=C(OCC(F)F)C=C2)CC2CCC1C2	REAL300012031411	0	47	0.0	-52.75	362.88	9.85	-42.90
COCC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031412	0	47	0.0	-46.23	353.58	9.02	-37.21
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031413	0	50	0.0	-52.39	393.60	11.62	-40.77
O=C([O-])C1(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)CC2CCC1C2	REAL300012031414	0	54	0.0	-49.21	416.20	12.65	-36.56
CCCCOC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031415	0	53	0.0	-44.10	391.51	11.17	-32.93
O=C([O-])C1(C[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)CC2CCC1C2	REAL300012031416	0	51	0.0	-49.31	399.05	13.40	-35.91
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C(OC(F)F)C=C1C	REAL300012031417	0	50	0.0	-47.32	374.69	10.14	-37.18
COC1=CC(C)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC	REAL300012031418	0	51	0.0	-48.65	371.88	9.11	-39.54
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031419	0	46	0.0	-47.27	361.73	10.16	-37.11
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031420	0	46	0.0	-45.96	359.90	7.38	-38.58
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031421	0	49	0.0	-45.31	381.78	8.79	-36.52
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CSC=C2)CC2CCC1C2	REAL300012031422	0	44	0.0	-52.81	344.78	8.14	-44.67
CSC1=CC(Br)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031423	0	44	0.0	-46.38	355.52	10.84	-35.54
O=C([O-])C1(C[NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)CC2CCC1C2	REAL300012031424	0	50	0.0	-48.37	389.18	11.04	-37.33
CC1CCC2=C(C1)SC(C[NH2+]CC1(C(=O)[O-])CC3CCC1C3)=N2	REAL300012031425	0	49	0.0	-46.50	367.83	9.66	-36.84
CC(C)(C)C1CCC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)CC1	REAL300012031426	0	58	0.0	-41.95	388.32	11.63	-30.32
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031427	0	54	0.0	-46.78	400.78	12.08	-34.70
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031428	0	54	0.0	-46.08	400.66	12.07	-34.01
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031429	0	53	0.0	-48.93	395.85	10.32	-38.61
O=C([O-])C1(C[NH2+]CC2=CC=C(OCC3CC3)C=C2)CC2CCC1C2	REAL300012031430	0	51	0.0	-46.78	381.42	11.10	-35.68
COC1=CC(Cl)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1Cl	REAL300012031431	0	44	0.0	-47.38	356.59	9.59	-37.79
CC(C)CC1=NC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031432	0	48	0.0	-46.06	364.95	9.27	-36.79
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CC=CS3)S2)CC2CCC1C2	REAL300012031433	0	43	0.0	-46.96	355.41	9.40	-37.56
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CSC=C3)S2)CC2CCC1C2	REAL300012031434	0	43	0.0	-47.19	354.67	9.27	-37.92
CC1=CC=C(C2=NC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)S2)O1	REAL300012031435	0	46	0.0	-48.50	368.22	9.23	-39.27
CC1=CC(Br)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031436	0	43	0.0	-46.50	334.60	10.54	-35.96
O=C([O-])C1(C[NH2+]CC2=CC=C(Cl)C(Br)=C2)CC2CCC1C2	REAL300012031437	0	40	0.0	-51.41	334.64	10.37	-41.04
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=CC=C2F)CC2CCC1C2	REAL300012031438	0	47	0.0	-55.78	361.11	9.23	-46.55
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)CC2CCC1C2	REAL300012031439	0	49	0.0	-53.23	373.46	10.99	-42.24
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CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2=CC=CS2)=N1	REAL300012031445	0	47	0.0	-48.67	365.09	9.76	-38.91
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CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031450	0	59	0.0	-50.58	424.96	12.88	-37.70
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CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031476	0	61	0.0	-45.07	448.57	14.43	-30.64
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CCCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031479	0	53	0.0	-47.15	392.86	11.11	-36.04
CC(C)CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031480	0	56	0.0	-47.06	410.43	11.63	-35.43
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CCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(OCCC)=C1	REAL300012031483	0	60	0.0	-46.48	442.83	11.41	-35.07
CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC	REAL300012031484	0	51	0.0	-50.71	379.11	9.42	-41.29
CC(C)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031485	0	49	0.0	-44.26	358.73	11.23	-33.03
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COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(OC)=C1OC	REAL300012031487	0	52	0.0	-54.88	385.28	8.34	-46.54
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OCC1=CC=CC=C1	REAL300012031488	0	58	0.0	-51.97	439.02	12.47	-39.50
CCOC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031489	0	47	0.0	-44.04	348.51	9.59	-34.45
CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031490	0	47	0.0	-47.31	349.87	9.53	-37.78
COC1=CC=C(Br)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031491	0	44	0.0	-43.91	347.83	9.27	-34.64
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC(Br)=C1O	REAL300012031492	0	45	0.0	-53.22	359.18	7.07	-46.15
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)CC2CCC1C2	REAL300012031493	0	50	0.0	-47.35	372.60	12.71	-34.64
COC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C2=CC=CC=C2C=C1	REAL300012031494	0	50	0.0	-43.34	368.77	10.77	-32.57
CSC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031495	0	44	0.0	-47.64	338.72	10.33	-37.31
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COC1=CC(OC)=C(OC)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031497	0	52	0.0	-48.68	385.13	7.86	-40.82
CC1=CC(C)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=C1	REAL300012031498	0	49	0.0	-43.01	353.09	11.02	-31.99
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031499	0	50	0.0	-49.43	391.92	11.29	-38.14
O=C([O-])C1(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)CC2CCC1C2	REAL300012031500	0	54	0.0	-48.78	409.78	12.58	-36.20
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2Br)CC2CCC1C2	REAL300012031501	0	40	0.0	-38.10	313.97	9.89	-28.21
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1O	REAL300012031502	0	45	0.0	-51.76	338.77	6.44	-45.32
CC1=NN(C)C(Cl)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031503	0	43	0.0	-46.96	336.66	7.94	-39.02
O=C([O-])C1(C[NH2+]CC2=CN(CC(F)(F)F)N=C2)CC2CCC1C2	REAL300012031504	0	43	0.0	-55.90	340.74	8.47	-47.43
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C(C)(C)C)=N1	REAL300012031505	0	52	0.0	-48.85	369.11	9.45	-39.40
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2I)CC2CCC1C2	REAL300012031506	0	40	0.0	-36.62	319.27	10.34	-26.28
O=C([O-])C1(C[NH2+]CC2=CC=C(OC(F)F)C=C2OC(F)F)CC2CCC1C2	REAL300012031507	0	48	0.0	-50.65	375.63	8.51	-42.14
O=C([O-])C1(C[NH2+]CC2=CC=C(N3CCCCC3)C([N+](=O)[O-])=C2)CC2CCC1C2	REAL300012031508	0	57	0.0	-52.23	421.52	12.55	-39.68
CN(CCC#N)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031509	0	52	0.0	-48.09	392.69	11.16	-36.93
O=C([O-])C1(C[NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)CC2CCC1C2	REAL300012031510	0	50	0.0	-46.54	378.51	11.04	-35.50
CCOC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1OC	REAL300012031511	0	51	0.0	-50.09	380.02	9.58	-40.51
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OCC(N)=O	REAL300012031512	0	52	0.0	-60.20	395.84	6.46	-53.74
C#CCOC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031513	0	46	0.0	-46.17	354.30	10.13	-36.04
CCNC(=O)COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC	REAL300012031514	0	58	0.0	-62.06	439.26	8.74	-53.32
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC2=C1OCO2	REAL300012031515	0	47	0.0	-55.28	354.09	7.25	-48.03
O=C([O-])C1(C[NH2+]CC2=NN(C3=CC=CC=C3)N=C2)CC2CCC1C2	REAL300012031516	0	46	0.0	-48.09	352.94	9.09	-39.00
COC1=CC2=C(C=C1C[NH2+]CC1(C(=O)[O-])CC3CCC1C3)OC(C)C2	REAL300012031517	0	52	0.0	-44.27	383.66	9.25	-35.02
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC(OC)=C1OCC(N)=O	REAL300012031518	0	56	0.0	-62.51	429.00	6.26	-56.25
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC(Cl)=C1OCC(N)=O	REAL300012031519	0	52	0.0	-62.69	415.80	7.12	-55.57
CCN(C(C)=O)C1=NC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CS1	REAL300012031520	0	49	0.0	-44.99	378.20	9.18	-35.81
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1C	REAL300012031521	0	47	0.0	-47.19	348.09	9.35	-37.84
CC(C)(C)C1=NNC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031522	0	49	0.0	-48.83	345.99	8.16	-40.67
COC1=CC=CC(OC)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031523	0	48	0.0	-39.06	354.82	8.02	-31.04
COC1=CC=C(F)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031524	0	44	0.0	-42.11	332.37	8.63	-33.48
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CSC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031527	0	41	0.0	-44.53	331.91	9.62	-34.91
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=C(C(F)(F)F)C=C2)CC2CCC1C2	REAL300012031528	0	50	0.0	-49.28	393.55	10.16	-39.12
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031529	0	53	0.0	-44.71	388.12	13.12	-31.59
O=C([O-])C1(C[NH2+]CC2=CC=CC3=C2OCO3)CC2CCC1C2	REAL300012031530	0	43	0.0	-51.33	324.40	7.94	-43.39
CS(=O)(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031531	0	46	0.0	-57.00	359.20	6.83	-50.17
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)CC2CCC1C2	REAL300012031532	0	50	0.0	-47.81	389.31	13.23	-34.58
COC1=CC=C(F)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031533	0	44	0.0	-44.80	332.93	8.73	-36.07
NC(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031534	0	44	0.0	-56.79	333.05	6.09	-50.70
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1F	REAL300012031535	0	44	0.0	-52.03	334.24	8.67	-43.36
COC1=CC=C(Cl)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031536	0	44	0.0	-44.15	343.27	9.17	-34.98
COC(=O)C1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CN1C	REAL300012031537	0	47	0.0	-55.30	357.94	9.49	-45.81
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1Cl	REAL300012031538	0	43	0.0	-44.98	333.97	10.41	-34.57
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1C	REAL300012031539	0	47	0.0	-46.45	348.09	9.35	-37.10
N#CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(F)=C1	REAL300012031540	0	41	0.0	-55.89	324.90	9.72	-46.17
O=C([O-])C1(C[NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)CC2CCC1C2	REAL300012031541	0	53	0.0	-49.62	402.55	10.89	-38.73
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)C=N2)CC2CCC1C2	REAL300012031542	0	39	0.0	-43.37	314.68	8.07	-35.30
O=C([O-])C1(C[NH2+]CC2=CN=C(N3CCOCC3)S2)CC2CCC1C2	REAL300012031543	0	49	0.0	-48.50	372.07	6.61	-41.89
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CC1=NN(C)C2=NC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=C12	REAL300012031545	0	48	0.0	-54.66	364.78	9.03	-45.63
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CC(C)COC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031555	0	53	0.0	-43.86	390.12	11.08	-32.78
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COC(=O)C1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CN1	REAL300012031565	0	44	0.0	-55.60	340.17	7.74	-47.86
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=C1OC	REAL300012031566	0	51	0.0	-50.03	372.14	9.19	-40.84
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COC1=CC(C)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031568	0	47	0.0	-44.31	348.06	9.32	-34.99
O=C([O-])C1(C[NH2+]CC2=CN=C(C(F)(F)F)S2)CC2CCC1C2	REAL300012031569	0	39	0.0	-51.45	324.58	7.72	-43.73
CS(=O)(=O)C1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031570	0	46	0.0	-58.96	359.20	6.82	-52.14
O=C([O-])C1(C[NH2+]CC2=CC=C(C3CCCC3)C=C2)CC2CCC1C2	REAL300012031571	0	53	0.0	-44.46	381.92	12.49	-31.97
CC1=CC(Cl)=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031572	0	43	0.0	-44.96	336.65	10.47	-34.49
COCC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031573	0	47	0.0	-46.26	353.57	9.03	-37.23
O=C([O-])C1(C[NH2+]CC2=NC=CN2C2=CC=CC=C2)CC2CCC1C2	REAL300012031574	0	47	0.0	-46.01	356.03	10.97	-35.04
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O=C([O-])C1(C[NH2+]CC2=CC=NN2C2CCCC2)CC2CCC1C2	REAL300012031576	0	50	0.0	-50.78	364.54	9.80	-40.98
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031577	0	50	0.0	-47.77	372.21	10.94	-36.83
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)F)C=C2)CC2CCC1C2	REAL300012031578	0	43	0.0	-50.56	332.68	10.23	-40.33
COC1=CC(C)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=N1	REAL300012031579	0	49	0.0	-48.32	359.36	7.05	-41.27
COC1=CC=CC(Cl)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031580	0	44	0.0	-37.98	340.61	9.07	-28.91
CCC1=CC(OC)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031581	0	50	0.0	-46.64	361.40	9.87	-36.77
CC1=NC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)N1C1=CC=CC=C1	REAL300012031582	0	50	0.0	-45.18	377.54	11.57	-33.61
CCCN1N=C(C)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1C	REAL300012031583	0	52	0.0	-45.68	382.68	9.66	-36.02
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COCCN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=N1	REAL300012031585	0	47	0.0	-47.91	356.53	7.02	-40.89
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COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC2=CC=CC=C21	REAL300012031587	0	50	0.0	-48.40	372.99	10.91	-37.49
CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1F	REAL300012031588	0	47	0.0	-53.38	356.10	9.60	-43.78
COC1=CC=CC2=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=CC=C12	REAL300012031589	0	50	0.0	-48.81	367.86	10.79	-38.02
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1C#N	REAL300012031590	0	45	0.0	-56.56	348.22	9.02	-47.54
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031591	0	50	0.0	-45.77	373.44	11.15	-34.62
O=C([O-])C1(C[NH2+]CC2=NC=C(C(F)(F)F)S2)CC2CCC1C2	REAL300012031592	0	39	0.0	-50.26	323.74	7.61	-42.65
O=C([O-])C1(C[NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)CC2CCC1C2	REAL300012031593	0	47	0.0	-51.53	362.37	7.60	-43.93
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(Br)=C1	REAL300012031594	0	44	0.0	-48.82	344.27	9.13	-39.69
CC(C)CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=N1	REAL300012031595	0	49	0.0	-45.98	364.17	9.51	-36.47
CC1=CC(Br)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031596	0	40	0.0	-43.04	330.07	9.74	-33.30
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031597	0	55	0.0	-53.05	408.21	12.01	-41.04
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031598	0	50	0.0	-38.14	387.38	11.97	-26.17
CN1C(=O)CCC2=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CC=C21	REAL300012031599	0	51	0.0	-54.06	375.10	10.22	-43.84
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031600	0	55	0.0	-49.78	423.89	12.60	-37.18
CC1=CC=C(OC(F)F)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031601	0	47	0.0	-47.33	357.68	9.61	-37.72
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)CC2CCC1C2	REAL300012031602	0	46	0.0	-47.64	380.27	10.85	-36.79
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)CC2CCC1C2	REAL300012031603	0	46	0.0	-51.33	368.05	10.56	-40.77
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031604	0	57	0.0	-44.27	422.50	12.74	-31.53
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)CC2CCC1C2	REAL300012031605	0	51	0.0	-44.43	396.79	11.69	-32.74
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC(OC)=C1OCC(F)F	REAL300012031606	0	55	0.0	-57.34	425.29	9.67	-47.67
CC1=NN(C(C)C)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031607	0	49	0.0	-49.52	361.85	9.02	-40.50
O=C([O-])C1(C[NH2+]CC2=CC=NC3=C(Br)C=CC=C23)CC2CCC1C2	REAL300012031608	0	45	0.0	-53.87	355.40	10.29	-43.58
O=C([O-])C1(C[NH2+]CC2=CN=C(C3CCCC3)S2)CC2CCC1C2	REAL300012031609	0	49	0.0	-45.88	370.42	9.94	-35.94
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)CC2CCC1C2	REAL300012031610	0	46	0.0	-49.64	371.70	10.55	-39.09
O=C([O-])C1(C[NH2+]CC2=CN=C(C3CC3)S2)CC2CCC1C2	REAL300012031611	0	43	0.0	-46.08	336.18	8.87	-37.21
CC(C)C1=NC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031612	0	45	0.0	-45.95	347.48	8.62	-37.33
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CC=CO3)S2)CC2CCC1C2	REAL300012031613	0	43	0.0	-48.76	346.31	8.40	-40.36
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)C(Cl)=C2)CC2CCC1C2	REAL300012031614	0	40	0.0	-51.41	334.64	10.37	-41.04
O=C([O-])C1(C[NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)CC2CCC1C2	REAL300012031615	0	52	0.0	-47.84	408.10	11.82	-36.02
CN1C=C(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=C2)C=N1	REAL300012031616	0	50	0.0	-51.25	378.50	10.59	-40.66
O=C([O-])C1(C[NH2+]CC2=CN(CC(F)F)N=C2)CC2CCC1C2	REAL300012031617	0	43	0.0	-50.27	334.71	8.30	-41.97
O=C([O-])C1(C[NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)CC2CCC1C2	REAL300012031618	0	51	0.0	-49.56	393.51	12.21	-37.35
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2=CC=C(F)C=C2)=N1	REAL300012031619	0	50	0.0	-48.51	383.91	10.53	-37.98
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2=CC=C(C#N)C=C2)=N1	REAL300012031620	0	51	0.0	-58.03	398.53	10.85	-47.18
CN(C)C(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)N1	REAL300012031621	0	48	0.0	-53.94	355.44	7.48	-46.46
NC(=O)C1=CSC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031622	0	41	0.0	-54.45	324.72	5.16	-49.29
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=N1	REAL300012031623	0	54	0.0	-52.57	406.77	11.73	-40.84
CCC1=NN(C)C(CC)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031624	0	52	0.0	-48.44	383.38	9.53	-38.91
O=C([O-])C1(C[NH2+]CC2=CN=C(C3CCC3)S2)CC2CCC1C2	REAL300012031625	0	46	0.0	-45.91	353.07	9.42	-36.49
O=C([O-])C1(C[NH2+]CC2=CN=C(C3CCCO3)S2)CC2CCC1C2	REAL300012031626	0	47	0.0	-49.64	362.45	7.51	-42.13
CC1=CC=CC=C1N1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)N=N1	REAL300012031627	0	49	0.0	-46.96	367.34	9.88	-37.08
CN1N=C(Br)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031628	0	40	0.0	-53.98	320.91	7.42	-46.56
CN1C=C(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)S2)C=N1	REAL300012031629	0	47	0.0	-48.20	372.36	9.98	-38.22
O=C([O-])C1(C[NH2+]CC2=CC=C3OCCCCOC3=C2)CC2CCC1C2	REAL300012031630	0	52	0.0	-48.52	377.44	10.17	-38.35
CCOC1=C(Cl)C=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031631	0	47	0.0	-49.27	366.55	10.22	-39.05
CCC1=CC=CC(F)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031632	0	46	0.0	-44.37	339.24	10.55	-33.82
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C(Cl)=C2Cl)CC2CCC1C2	REAL300012031633	0	40	0.0	-44.21	331.26	10.28	-33.93
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031634	0	51	0.0	-48.97	384.06	9.68	-39.29
O=C([O-])C1(C[NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)CC2CCC1C2	REAL300012031635	0	44	0.0	-41.62	348.37	9.17	-32.45
O=C([O-])C1(C[NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)CC2CCC1C2	REAL300012031636	0	47	0.0	-47.86	360.84	10.27	-37.59
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2=CN(C)N=C2)=C1	REAL300012031637	0	53	0.0	-37.87	396.66	11.13	-26.74
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2=CC=NN2C)=C1	REAL300012031638	0	53	0.0	-51.95	393.40	10.81	-41.14
CC(C)C1=CN=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031639	0	45	0.0	-46.44	346.54	8.60	-37.84
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)CC2CCC1C2	REAL300012031640	0	50	0.0	-54.16	396.06	11.52	-42.64
CC1=CC(Br)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1Cl	REAL300012031641	0	43	0.0	-39.69	349.27	10.98	-28.71
O=C([O-])C1(C[NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)CC2CCC1C2	REAL300012031642	0	50	0.0	-47.54	397.61	11.27	-36.27
CC(C)(C)C1=CN=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031643	0	48	0.0	-46.38	364.72	9.09	-37.29
O=C([O-])C1(C[NH2+]CC2=C(C3CC3)N=CS2)CC2CCC1C2	REAL300012031644	0	43	0.0	-45.94	333.31	8.72	-37.22
N#CCCN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2=CC=NC=C2)=N1	REAL300012031645	0	53	0.0	-54.03	415.13	10.07	-43.96
O=C([O-])C1(C[NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)CC2CCC1C2	REAL300012031646	0	46	0.0	-47.50	359.50	12.90	-34.60
COC(=O)C1=C(C)N(C)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031647	0	50	0.0	-55.39	376.56	9.81	-45.58
COCCCN1N=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031648	0	50	0.0	-51.43	371.27	7.65	-43.78
CC1=CC(F)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(Cl)=C1	REAL300012031649	0	43	0.0	-39.72	339.17	10.39	-29.33
COCCOCC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031650	0	54	0.0	-47.46	409.05	9.26	-38.20
CSCC1=CN=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031651	0	43	0.0	-47.91	349.81	8.46	-39.45
O=C([O-])C1(C[NH2+]CC2=CSC=C2C(F)(F)F)CC2CCC1C2	REAL300012031652	0	40	0.0	-48.42	318.40	9.27	-39.15
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)SC2=C(Cl)C=CC=C12	REAL300012031653	0	46	0.0	-43.71	368.89	11.85	-31.86
O=C([O-])C1(C[NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)CC2CCC1C2	REAL300012031654	0	54	0.0	-55.59	421.94	11.71	-43.88
N#CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1F	REAL300012031655	0	41	0.0	-58.73	325.27	9.74	-48.99
O=C([O-])C1(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)CC2CCC1C2	REAL300012031656	0	43	0.0	-52.16	338.00	8.40	-43.76
CC1=CC(F)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(F)=C1	REAL300012031657	0	43	0.0	-40.97	330.42	10.01	-30.96
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)O1	REAL300012031658	0	50	0.0	-50.31	382.41	9.72	-40.59
CC(C)CN1N=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031659	0	49	0.0	-49.39	360.59	9.33	-40.06
O=C([O-])C1(C[NH2+]CC2=CC(Br)=CN=C2Cl)CC2CCC1C2	REAL300012031660	0	39	0.0	-43.08	326.76	8.54	-34.54
COC(=O)C1=C(C)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CN1	REAL300012031661	0	47	0.0	-55.47	355.96	8.32	-47.15
CC1=CC=C(C2=NC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)S2)C=C1C	REAL300012031662	0	52	0.0	-47.68	401.91	11.53	-36.15
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031663	0	50	0.0	-57.31	382.02	11.20	-46.11
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031664	0	50	0.0	-54.47	389.74	11.73	-42.74
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031665	0	53	0.0	-52.17	399.02	11.72	-40.45
CC(C)(C#N)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031666	0	50	0.0	-50.28	375.13	11.26	-39.02
CC(C)C1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031667	0	49	0.0	-43.22	352.42	11.09	-32.13
O=C([O-])C1(C[NH2+]CC2=NN3CCCCC3=C2)CC2CCC1C2	REAL300012031668	0	47	0.0	-42.52	343.11	8.64	-33.88
O=C([O-])C1(C[NH2+]CC2=CN=NN2C2=CC=CC=C2)CC2CCC1C2	REAL300012031669	0	46	0.0	-52.67	348.73	8.94	-43.73
O=C([O-])C1(C[NH2+]CC2=CC3=CN=CC=C3O2)CC2CCC1C2	REAL300012031670	0	42	0.0	-48.97	321.00	8.09	-40.88
COC1=CC(OC)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1F	REAL300012031671	0	48	0.0	-47.63	362.13	8.03	-39.60
COC1=CC(F)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC	REAL300012031672	0	48	0.0	-45.00	361.59	8.55	-36.45
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(Cl)=C1	REAL300012031673	0	43	0.0	-46.30	332.62	10.41	-35.89
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031674	0	53	0.0	-52.15	398.27	11.77	-40.38
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(F)=C1	REAL300012031675	0	44	0.0	-51.07	333.57	8.62	-42.45
COC1=CC=CC(F)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031676	0	44	0.0	-39.06	331.87	8.68	-30.38
CCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=C1	REAL300012031677	0	53	0.0	-46.31	386.13	10.94	-35.37
O=C([O-])C1(C[NH2+]CC2=CC3=CC=NC=C3S2)CC2CCC1C2	REAL300012031678	0	42	0.0	-47.76	330.64	9.06	-38.70
O=C([O-])C1(C[NH2+]CC2=CC3=CC(Br)=CC=C3O2)CC2CCC1C2	REAL300012031679	0	43	0.0	-47.33	347.56	10.43	-36.90
CCC1=C2OC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CC2=CC=C1	REAL300012031680	0	49	0.0	-46.19	369.17	11.25	-34.94
C=CCCN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)N=N1	REAL300012031681	0	46	0.0	-45.79	351.04	7.97	-37.82
O=C([O-])C1(C[NH2+]CC2=CC=NN2CC2CC2)CC2CCC1C2	REAL300012031682	0	47	0.0	-48.48	341.26	9.09	-39.39
O=C([O-])C1(C[NH2+]CC2=CC=CC(OC3CC3)=C2F)CC2CCC1C2	REAL300012031683	0	48	0.0	-53.71	364.15	10.31	-43.40
CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=C1	REAL300012031684	0	50	0.0	-46.50	364.69	10.15	-36.35
O=C([O-])C1(C[NH2+]CC2=CC=CC(F)=C2OC(F)F)CC2CCC1C2	REAL300012031685	0	44	0.0	-49.78	343.48	9.04	-40.74
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC=C2OC(F)F)CC2CCC1C2	REAL300012031686	0	44	0.0	-47.60	342.67	9.01	-38.59
O=C([O-])C1(C[NH2+]CC2=CC=CC(C3CCCC3)=C2)CC2CCC1C2	REAL300012031687	0	53	0.0	-44.03	382.74	12.51	-31.52
CN1C=C(C2=NN(C)C=C2C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=N1	REAL300012031688	0	50	0.0	-54.98	381.66	8.30	-46.68
COCC1=CSC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031689	0	44	0.0	-43.93	343.90	8.13	-35.80
O=C([O-])C1(C[NH2+]CC2=CN(C3CCC3)N=N2)CC2CCC1C2	REAL300012031690	0	46	0.0	-45.45	340.70	7.78	-37.67
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)CC2CCC1C2	REAL300012031691	0	46	0.0	-46.72	380.27	10.85	-35.87
O=C([O-])C1(C[NH2+]CC2=CSC(C(F)(F)F)=C2)CC2CCC1C2	REAL300012031692	0	40	0.0	-50.97	329.14	9.45	-41.52
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)(F)F)O2)CC2CCC1C2	REAL300012031693	0	40	0.0	-46.57	320.43	8.67	-37.90
O=C([O-])C1(C[NH2+]CC2=C(C(F)(F)F)SC=C2)CC2CCC1C2	REAL300012031694	0	40	0.0	-38.82	319.23	9.41	-29.41
CN(C)C1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=CC(F)=C1F	REAL300012031695	0	48	0.0	-51.81	358.04	9.36	-42.45
O=C([O-])C1(C[NH2+]CC2=C(F)C=CC(F)=C2Cl)CC2CCC1C2	REAL300012031696	0	40	0.0	-40.30	323.75	9.78	-30.52
CC(C)OC1=CC(Cl)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1Cl	REAL300012031697	0	50	0.0	-46.59	396.81	11.17	-35.42
O=C([O-])C1(C[NH2+]CC2=CC=C(OC3CCOC3)C=C2)CC2CCC1C2	REAL300012031698	0	52	0.0	-47.77	383.91	8.95	-38.82
CN(C)C1=CC(F)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1F	REAL300012031699	0	48	0.0	-44.65	363.76	8.88	-35.77
COC(=O)C1=C2CCCCN2C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031700	0	54	0.0	-55.47	400.08	11.03	-44.44
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C(F)=C2F)CC2CCC1C2	REAL300012031701	0	40	0.0	-47.42	315.48	9.47	-37.95
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC(C(F)(F)F)=C1	REAL300012031702	0	47	0.0	-49.83	366.74	9.59	-40.24
C=CCOC1=C(Cl)C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC	REAL300012031703	0	52	0.0	-53.69	411.98	10.67	-43.02
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC1CC1	REAL300012031704	0	52	0.0	-51.03	388.19	10.17	-40.86
CN1N=C(C(F)(F)F)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031705	0	43	0.0	-56.25	340.60	7.90	-48.35
COCC(C)OC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031706	0	54	0.0	-48.13	400.13	9.51	-38.62
CCCC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031707	0	46	0.0	-41.94	353.48	10.76	-31.18
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)CC2CCC1C2	REAL300012031708	0	47	0.0	-48.25	365.75	11.91	-36.34
O=C([O-])C1(C[NH2+]CC2=CC=NN2CCC2=CC=CC=C2)CC2CCC1C2	REAL300012031709	0	53	0.0	-50.75	396.31	11.56	-39.19
CC(C)C1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031710	0	49	0.0	-44.22	358.73	11.22	-33.00
O=C([O-])C1(C[NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)CC2CCC1C2	REAL300012031711	0	47	0.0	-55.76	376.33	10.20	-45.56
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1C(C)(C)C	REAL300012031712	0	56	0.0	-46.12	399.18	11.28	-34.84
O=C([O-])C1(C[NH2+]CC2=CC=CC(CC3CCC3)=C2)CC2CCC1C2	REAL300012031713	0	53	0.0	-44.13	389.57	12.81	-31.32
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031714	0	48	0.0	-41.67	371.33	8.51	-33.16
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=NC=C1Br	REAL300012031715	0	42	0.0	-42.88	333.32	8.66	-34.22
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C(Br)C=C1F	REAL300012031716	0	43	0.0	-40.91	340.51	10.59	-30.32
O=C([O-])C1(C[NH2+]CC2=C(O)C=CC=C2Br)CC2CCC1C2	REAL300012031717	0	41	0.0	-43.77	326.16	6.99	-36.78
CN1C=C(C2=NC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CS2)C=N1	REAL300012031718	0	46	0.0	-45.38	368.02	7.89	-37.49
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1Cl	REAL300012031719	0	44	0.0	-50.25	344.05	9.15	-41.10
O=C([O-])C1(C[NH2+]CC2=CC=NN2CC2CCC2)CC2CCC1C2	REAL300012031720	0	50	0.0	-47.59	365.32	9.70	-37.89
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)CC2CCC1C2	REAL300012031721	0	46	0.0	-47.97	357.83	9.20	-38.77
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2CC(F)(F)F)CC2CCC1C2	REAL300012031722	0	46	0.0	-43.26	347.71	10.87	-32.39
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(Br)=N1	REAL300012031723	0	40	0.0	-44.38	321.91	7.58	-36.80
CC(=O)NC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031724	0	47	0.0	-51.03	354.49	8.20	-42.83
CN1N=CC2=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CN=C21	REAL300012031725	0	45	0.0	-56.52	342.82	8.43	-48.09
O=C([O-])C1(C[NH2+]CC2=NC=C(Br)C=C2F)CC2CCC1C2	REAL300012031726	0	39	0.0	-42.84	320.17	8.10	-34.74
COC1=CC(Cl)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC	REAL300012031727	0	48	0.0	-43.39	368.92	8.97	-34.42
O=C([O-])C1(C[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)CC2CCC1C2	REAL300012031728	0	46	0.0	-46.47	359.49	11.09	-35.38
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031729	0	60	0.0	-50.65	446.41	9.75	-40.90
CN1N=C2CCCCC2=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031730	0	50	0.0	-49.63	362.71	9.30	-40.33
CCOC(=O)C1=C(C)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C(C)N1	REAL300012031731	0	53	0.0	-52.92	398.84	9.70	-43.22
O=C([O-])C1(C[NH2+]CC2=CN=C(Cl)C(F)=C2)CC2CCC1C2	REAL300012031732	0	39	0.0	-54.93	315.98	7.98	-46.95
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)CC2CCC1C2	REAL300012031733	0	50	0.0	-47.09	391.54	13.27	-33.82
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)C(F)=C2F)CC2CCC1C2	REAL300012031734	0	40	0.0	-46.30	329.78	10.02	-36.28
O=C([O-])C1(C[NH2+]CC2=C(Br)SC=C2)CC2CCC1C2	REAL300012031735	0	37	0.0	-39.07	306.51	8.95	-30.12
CCOC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C(F)C=C1OC	REAL300012031736	0	51	0.0	-44.90	383.45	9.47	-35.43
COC1=NC=C(Br)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031737	0	43	0.0	-47.35	345.63	6.67	-40.68
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)CC2CCC1C2	REAL300012031738	0	46	0.0	-47.98	343.19	11.46	-36.52
O=C([O-])C1(C[NH2+]CC2=CC=CN=C2Br)CC2CCC1C2	REAL300012031739	0	39	0.0	-42.20	308.94	7.99	-34.21
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C(F)C=C1Br	REAL300012031740	0	44	0.0	-44.81	352.79	9.31	-35.50
O=C([O-])C1(C[NH2+]CC2=CC=CC(Br)=C2Cl)CC2CCC1C2	REAL300012031741	0	40	0.0	-50.82	330.49	10.30	-40.52
O=C([O-])C1(C[NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)CC2CCC1C2	REAL300012031742	0	44	0.0	-41.45	348.53	9.26	-32.19
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031743	0	50	0.0	-44.07	372.72	10.28	-33.79
CCOC1=CC(F)=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031744	0	47	0.0	-48.06	356.28	9.60	-38.46
O=C([O-])C1(C[NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)CC2CCC1C2	REAL300012031745	0	54	0.0	-58.51	394.40	10.31	-48.20
O=C([O-])C1(C[NH2+]CC2=CC=C(OC(F)F)C=C2F)CC2CCC1C2	REAL300012031746	0	44	0.0	-50.45	343.32	8.90	-41.55
CC(C)(C)OC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031747	0	53	0.0	-47.19	378.83	10.44	-36.75
CC1=C(Cl)C=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031748	0	43	0.0	-47.95	327.84	10.29	-37.66
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C(F)C=C1C	REAL300012031749	0	47	0.0	-41.86	352.44	9.38	-32.48
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=C1Br	REAL300012031750	0	46	0.0	-47.53	349.48	11.01	-36.52
CC1=CC=NC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1Br	REAL300012031751	0	42	0.0	-40.75	330.03	8.55	-32.20
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031752	0	57	0.0	-51.10	420.78	9.55	-41.55
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2=CC(F)=CC=C2F)=N1	REAL300012031753	0	50	0.0	-54.36	390.52	10.61	-43.75
CC(C)(C)C1=CSC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=N1	REAL300012031754	0	48	0.0	-47.05	363.98	9.02	-38.03
COCCC1=NC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031755	0	46	0.0	-47.92	360.37	7.09	-40.83
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC(F)=C2O)CC2CCC1C2	REAL300012031758	1	41	0.0	-52.51	320.76	6.65	-45.86
CN1N=C2CCSCC2=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031759	0	48	0.0	-51.50	361.94	8.94	-42.56
CCN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2=CC=CC=C2)=N1	REAL300012031760	0	53	0.0	-53.68	399.23	11.32	-42.36
O=C([O-])C1(C[NH2+]CC2=CC=CC3=C2CCOC3)CC2CCC1C2	REAL300012031761	0	48	0.0	-47.33	345.24	9.26	-38.07
COCC1=C(C)C=C(C)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1C	REAL300012031762	0	56	0.0	-43.89	400.03	10.51	-33.38
O=C([O-])C1(C[NH2+]CC2=CC=C3OC(=O)OC3=C2)CC2CCC1C2	REAL300012031763	0	42	0.0	-56.09	326.16	9.84	-46.25
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031764	0	54	0.0	-44.62	422.25	13.34	-31.28
CC1=C(Br)C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031765	0	40	0.0	-44.96	331.10	9.80	-35.16
O=C([O-])C1(C[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)CC2CCC1C2	REAL300012031766	0	50	0.0	-47.71	389.45	13.23	-34.48
O=C([O-])C1(C[NH2+]CC2=CC=CC3=NC=CC=C23)CC2CCC1C2	REAL300012031767	0	45	0.0	-51.01	334.62	9.54	-41.47
CCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1C	REAL300012031768	0	53	0.0	-46.75	391.44	11.07	-35.68
O=C([O-])C1(C[NH2+]CC2=CC3=NC=CN=C3C=C2)CC2CCC1C2	REAL300012031769	0	44	0.0	-54.41	334.55	7.72	-46.69
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1COC1=CC=CC=C1	REAL300012031770	0	58	0.0	-45.53	436.46	12.03	-33.50
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1CN1C=CC=N1	REAL300012031771	0	54	0.0	-49.20	410.73	10.28	-38.92
CCOC1=CC=CC(F)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031772	0	47	0.0	-38.94	353.71	9.60	-29.34
CC1=CC=C(Br)C(F)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031773	0	43	0.0	-40.35	341.43	10.45	-29.90
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=CC=C1[N+](=O)[O-]	REAL300012031774	0	45	0.0	-59.43	336.87	10.36	-49.07
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031775	0	48	0.0	-50.07	357.90	10.96	-39.11
COC1=CC=C(CN2C=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)N=N2)C=C1	REAL300012031776	0	53	0.0	-49.23	406.18	8.95	-40.28
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(F)=C1OC	REAL300012031777	0	48	0.0	-55.19	366.43	8.63	-46.56
COC(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(F)=C1	REAL300012031778	0	46	0.0	-57.10	358.86	9.99	-47.11
O=C([O-])C1(C[NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)CC2CCC1C2	REAL300012031779	0	50	0.0	-51.21	385.12	9.68	-41.53
O=C([O-])C1(C[NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)CC2CCC1C2	REAL300012031780	0	54	0.0	-47.69	409.78	12.57	-35.12
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OCC(F)F)CC2CCC1C2	REAL300012031781	0	47	0.0	-48.86	361.52	9.91	-38.95
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031782	0	58	0.0	-50.90	435.42	12.63	-38.27
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031783	0	56	0.0	-49.84	413.84	12.31	-37.53
CC1=CC(C#N)=CC(C)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031784	0	47	0.0	-50.22	352.44	10.74	-39.48
CC(C)(C)C1=COC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=N1	REAL300012031785	0	48	0.0	-48.64	356.08	6.67	-41.97
CCCC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031786	0	49	0.0	-44.15	362.89	11.52	-32.63
O=C([O-])C1(C[NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)CC2CCC1C2	REAL300012031787	0	46	0.0	-42.97	380.09	10.61	-32.36
COC1=CC=C(C2=NC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CS2)C=C1	REAL300012031788	0	50	0.0	-43.86	392.80	9.41	-34.45
CC1=C2C=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=NC2=NN1	REAL300012031790	0	45	0.0	-56.53	341.58	7.83	-48.70
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031791	0	48	0.0	-55.92	372.12	6.01	-49.91
CN1N=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C2=CC=CC=C21	REAL300012031792	0	46	0.0	-44.79	348.46	9.22	-35.57
CN1C(Cl)=NC(Cl)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031793	0	40	0.0	-46.06	331.84	8.58	-37.48
O=C([O-])C1(C[NH2+]CC2=NC=CC3=CC=CC=C32)CC2CCC1C2	REAL300012031794	0	45	0.0	-42.35	336.25	9.59	-32.76
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)N2C=CC=CC2=N1	REAL300012031795	0	46	0.0	-50.22	345.89	10.29	-39.93
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031796	1	60	0.0	-44.27	420.16	11.38	-32.89
O=C([O-])C1(C[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)CC2CCC1C2	REAL300012031797	0	46	0.0	-54.28	354.57	7.54	-46.74
CC1=NN2C(=NC(C)=C2C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031798	0	45	0.0	-52.14	353.63	8.49	-43.65
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031799	0	51	0.0	-51.44	394.69	9.76	-41.68
CCCC(C[NH2+]CC1(C(=O)[O-])CC2CCC1C2)C1=CC=CC=C1	REAL300012031800	0	52	0.0	-46.38	375.72	11.94	-34.44
O=C([O-])C1(C[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)CC2CCC1C2	REAL300012031801	0	45	0.0	-39.40	352.27	10.23	-29.17
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)(F)F)S2)CC2CCC1C2	REAL300012031802	0	40	0.0	-46.78	329.26	9.60	-37.18
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(OCC2=CC=CN=C2)=C1	REAL300012031803	0	57	0.0	-47.46	432.72	10.15	-37.31
O=C([O-])C1(C[NH2+]CC2=NC3=CC=C(Br)C=C3S2)CC2CCC1C2	REAL300012031804	0	42	0.0	-48.53	351.23	9.29	-39.24
CN(C)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C(F)(F)F)=C1	REAL300012031805	0	51	0.0	-39.73	378.52	10.75	-28.98
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031806	0	50	0.0	-49.91	380.66	11.92	-37.99
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031807	0	49	0.0	-45.56	388.74	10.89	-34.67
O=C([O-])C1(C[NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)CC2CCC1C2	REAL300012031808	0	59	0.0	-47.08	434.36	12.65	-34.43
CC(C)C1CCC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)CC1	REAL300012031809	0	55	0.0	-42.34	375.30	11.35	-30.99
O=C([O-])C1(C[NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)CC2CCC1C2	REAL300012031810	0	43	0.0	-55.17	356.56	10.64	-44.53
O=C([O-])C1(C[NH2+]CC2=CN3C=CC(Br)=CC3=N2)CC2CCC1C2	REAL300012031811	0	43	0.0	-44.53	346.81	10.43	-34.10
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031812	0	51	0.0	-48.61	385.03	10.69	-37.92
COCC1=CC=CC=C1C=C(C)C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031813	0	54	0.0	-46.75	397.50	10.92	-35.83
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031814	0	50	0.0	-51.90	370.75	10.12	-41.78
O=C([O-])C1(C[NH2+]CC2=CON=C2CC2=CC=CC=C2)CC2CCC1C2	REAL300012031815	0	49	0.0	-51.94	374.68	11.06	-40.88
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CN=C3O2)CC2CCC1C2	REAL300012031816	0	42	0.0	-49.19	321.03	6.77	-42.42
COC1=CC=C(N2C=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=N2)C=C1	REAL300012031817	0	51	0.0	-54.08	386.83	9.81	-44.27
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031818	0	55	0.0	-45.43	418.77	12.66	-32.77
O=C([O-])C1(C[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)CC2CCC1C2	REAL300012031819	0	42	0.0	-48.80	337.80	7.27	-41.53
O=C([O-])C1(C[NH2+]CC2=CC=NC=C2Br)CC2CCC1C2	REAL300012031820	0	39	0.0	-41.88	309.32	8.12	-33.76
CS(=O)(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031821	0	43	0.0	-54.34	351.48	5.98	-48.36
O=C([O-])C1(C[NH2+]CC2=C(C3=CC=CC=C3)N(C3CCCC3)N=C2)CC2CCC1C2	REAL300012031822	0	60	0.0	-45.36	441.23	13.27	-32.09
O=C([O-])C1(C[NH2+]CC2=CC=NN2C2=CC=CC=N2)CC2CCC1C2	REAL300012031823	0	46	0.0	-43.58	350.70	9.99	-33.59
NS(=O)(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(F)=C1	REAL300012031824	0	45	0.0	-49.79	357.27	4.31	-45.48
CC(C)(C)N1N=NC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=N1	REAL300012031825	1	47	0.0	-48.50	351.87	7.11	-41.39
CC1=C(Br)C=NC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031826	0	42	0.0	-48.56	327.72	8.59	-39.97
CN1N=CC(C(F)(F)F)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031827	0	43	0.0	-43.72	336.17	7.90	-35.82
CN1N=CC(C2CC2)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031828	0	47	0.0	-48.37	349.25	8.94	-39.43
CN1N=CC(C2CCC2)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031829	0	50	0.0	-48.78	365.48	9.44	-39.34
CC1=C2C=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)NC2=CC=C1	REAL300012031830	0	47	0.0	-49.11	351.21	9.88	-39.23
O=C([O-])C1(C[NH2+]CC2=CC=NN2C2=CC=NC=C2)CC2CCC1C2	REAL300012031831	0	46	0.0	-48.37	349.59	8.44	-39.93
CC1=CC=C2C=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)NC2=C1	REAL300012031832	0	47	0.0	-48.87	351.65	9.90	-38.97
CCOC1=CN=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031833	0	46	0.0	-49.60	344.68	7.70	-41.90
O=C([O-])C1(C[NH2+]CC2=CC=NN2C2CCOCC2)CC2CCC1C2	REAL300012031834	0	51	0.0	-53.10	374.04	7.92	-45.18
CCC(F)(F)C(C)(C)C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031835	0	48	0.0	-40.52	337.89	9.67	-30.85
O=C([O-])C1(C[NH2+]CC2=CC3=C(C=CNC3=O)O2)CC2CCC1C2	REAL300012031836	0	43	0.0	-57.58	331.00	6.78	-50.80
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)F)N=C2)CC2CCC1C2	REAL300012031837	0	42	0.0	-51.34	327.93	8.38	-42.96
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031838	0	49	0.0	-46.69	371.52	9.72	-36.97
O=C([O-])C1(C[NH2+]CC2=CN(CC3CCOC3)N=N2)CC2CCC1C2	REAL300012031839	0	50	0.0	-47.77	372.98	6.75	-41.02
COC1=CN=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1C	REAL300012031840	0	46	0.0	-48.68	337.76	7.41	-41.27
CC1=CC(C)=C(C=CC[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=C1	REAL300012031841	0	53	0.0	-46.25	388.42	12.43	-33.82
O=C([O-])C1(C[NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)CC2CCC1C2	REAL300012031842	0	60	0.0	-48.98	438.56	8.15	-40.83
CC(C)(C)OC(=O)NC(C[NH2+]CC1(C(=O)[O-])CC2CCC1C2)CC(F)F	REAL300012031843	0	56	0.0	-54.75	404.98	8.10	-46.65
O=C([O-])C1(C[NH2+]CC2=CN(CC3CCCO3)N=N2)CC2CCC1C2	REAL300012031844	0	50	0.0	-46.56	373.52	6.89	-39.67
CN(C)C1=CC=C(F)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031845	0	48	0.0	-42.80	357.78	9.38	-33.42
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)CC2CCC1C2	REAL300012031846	0	45	0.0	-59.41	345.81	9.73	-49.68
CC1=CC(C)=C(C=CC[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1C	REAL300012031847	0	53	0.0	-45.60	385.43	12.33	-33.27
NS(=O)(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031848	0	45	0.0	-56.56	352.74	4.26	-52.30
O=C([O-])C1(C[NH2+]CC2=NC=CC3=C2CCCC3)CC2CCC1C2	REAL300012031849	0	49	0.0	-45.08	349.61	9.80	-35.28
CC1=NN(C)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1Cl	REAL300012031850	0	43	0.0	-44.89	337.47	7.95	-36.94
CN1C=CC(C2=NC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CS2)=N1	REAL300012031851	0	46	0.0	-46.27	368.13	7.77	-38.50
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2CCCC2)=N1	REAL300012031852	0	53	0.0	-49.40	386.71	10.20	-39.20
CC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1Br	REAL300012031853	0	43	0.0	-45.90	332.88	10.42	-35.48
O=C([O-])C1(C[NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)CC2CCC1C2	REAL300012031854	0	51	0.0	-46.30	393.53	12.21	-34.09
O=C([O-])C1(C[NH2+]CC2=CC=C3OCCCC3=C2)CC2CCC1C2	REAL300012031855	0	48	0.0	-48.17	352.09	9.92	-38.25
CN(C)C(=O)C1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031856	0	50	0.0	-57.28	370.69	9.15	-48.13
CCC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(Cl)=NN1	REAL300012031857	0	43	0.0	-49.29	331.78	7.51	-41.78
O=C([O-])C1(C[NH2+]CC2=C(C3CC3)NN=C2Cl)CC2CCC1C2	REAL300012031858	0	44	0.0	-49.34	344.87	8.25	-41.09
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C2CCCCC2=N1	REAL300012031859	0	52	0.0	-48.39	370.96	10.48	-37.91
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2N2CCCCC2)CC2CCC1C2	REAL300012031860	0	55	0.0	-41.75	392.47	11.34	-30.41
O=C([O-])C1(C[NH2+]CC2=CSC(C(F)(F)F)=N2)CC2CCC1C2	REAL300012031861	0	39	0.0	-44.19	324.16	7.41	-36.78
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)F)C(F)=C2)CC2CCC1C2	REAL300012031862	0	43	0.0	-57.21	337.94	10.28	-46.93
COC(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1C	REAL300012031863	0	49	0.0	-52.65	369.36	10.50	-42.15
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=C1	REAL300012031864	0	47	0.0	-46.71	342.83	9.21	-37.50
CC1=C(Cl)C=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1Cl	REAL300012031865	0	43	0.0	-48.75	343.89	10.75	-38.00
N#CC1=CC=C(Br)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031866	0	41	0.0	-45.00	334.59	10.27	-34.73
CC1CC2=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CC=C2O1	REAL300012031867	0	48	0.0	-47.89	355.40	9.88	-38.01
O=C([O-])C1(C[NH2+]CC2=CC=CC3=C2OC(=O)N3)CC2CCC1C2	REAL300012031868	0	43	0.0	-60.04	330.28	6.80	-53.24
O=C([O-])C1(C[NH2+]CC2=CC=CC3=C2OCC3)CC2CCC1C2	REAL300012031869	0	45	0.0	-45.70	334.26	9.14	-36.56
CSCC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031870	0	47	0.0	-45.81	364.63	11.19	-34.62
O=C([O-])C1(C[NH2+]CC2=CN(CC3CCC3)N=C2)CC2CCC1C2	REAL300012031871	0	50	0.0	-50.51	370.75	10.05	-40.46
CN1N=C2CCOCC2=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031872	0	48	0.0	-52.23	352.82	6.88	-45.35
CN1N=C2CCCC2=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031873	0	47	0.0	-49.96	345.11	8.77	-41.19
O=C([O-])C1(C[NH2+]CC2=CC=NN2C2CCC2)CC2CCC1C2	REAL300012031874	0	47	0.0	-50.57	347.29	9.10	-41.47
O=C([O-])C1(C[NH2+]CC2=CN(C3CCC3)N=C2)CC2CCC1C2	REAL300012031875	0	47	0.0	-46.30	346.68	9.09	-37.21
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031876	0	53	0.0	-51.80	400.94	10.85	-40.95
COC(=O)COC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031877	0	50	0.0	-51.27	383.02	10.25	-41.02
COC1=CC=C(C)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031878	0	47	0.0	-43.98	343.29	9.14	-34.84
CN1C=NC2=CC=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=C21	REAL300012031879	0	46	0.0	-50.30	336.77	10.55	-39.75
CN(C)C(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031880	0	50	0.0	-56.92	369.92	9.17	-47.75
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=C1C	REAL300012031881	0	49	0.0	-43.53	347.95	11.02	-32.51
CCNC(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031882	0	50	0.0	-56.51	376.47	8.43	-48.08
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031883	0	52	0.0	-40.15	351.85	11.55	-28.60
O=C([O-])C1(C[NH2+]CC2=CN=C3CCCCCN23)CC2CCC1C2	REAL300012031884	0	50	0.0	-51.54	354.47	9.69	-41.85
COC1=CC=C2SC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CC2=C1	REAL300012031885	0	47	0.0	-46.57	365.45	10.13	-36.44
CCN(CC)C(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031886	0	56	0.0	-57.13	410.51	11.05	-46.08
CCN1CCC2=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CC=C21	REAL300012031887	0	52	0.0	-46.28	377.81	9.92	-36.36
CCN(C)C(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031888	0	53	0.0	-57.56	392.81	10.19	-47.37
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=NN1C(C)C	REAL300012031889	0	49	0.0	-44.99	361.33	9.07	-35.92
CSC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1Cl	REAL300012031890	0	44	0.0	-51.46	353.74	10.77	-40.69
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1C1CC1	REAL300012031891	0	50	0.0	-44.59	365.54	11.92	-32.67
CCOC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=N1	REAL300012031892	0	46	0.0	-48.20	347.46	6.94	-41.26
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1C1CC1	REAL300012031893	0	50	0.0	-44.46	364.82	11.92	-32.54
CC1=NN(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C(C)=C2)C=C1	REAL300012031894	0	53	0.0	-54.44	394.17	11.63	-42.81
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)CC2CCC1C2	REAL300012031895	0	46	0.0	-49.64	369.71	11.18	-38.46
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031896	0	50	0.0	-52.40	388.88	11.61	-40.79
CCC1=CC(Br)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031897	0	43	0.0	-42.78	351.55	10.52	-32.26
CC1=NN(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=C2)C=C1Cl	REAL300012031898	0	50	0.0	-53.52	395.42	11.59	-41.93
COC(=O)C1=CC2=C(C=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)O2)N1	REAL300012031899	0	47	0.0	-50.79	366.98	8.09	-42.70
COCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)O1	REAL300012031900	0	48	0.0	-47.50	367.75	8.05	-39.45
CC(C)(C[NH2+]CC1(C(=O)[O-])CC2CCC1C2)C1=CC=C(Br)C=C1	REAL300012031901	0	49	0.0	-44.88	367.75	11.63	-33.25
CC1=NN(C(C)C)C(C)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031902	0	52	0.0	-49.13	381.96	9.61	-39.52
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC(Br)=C2)CC2CCC1C2	REAL300012031903	0	40	0.0	-48.25	336.54	10.42	-37.83
CC1=CC=C(C2=CC=CC=C2C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=C1	REAL300012031904	0	56	0.0	-43.87	413.03	13.98	-29.89
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2CC2)=N1	REAL300012031905	0	47	0.0	-50.04	353.26	9.27	-40.77
COC1=CC=CC(C2=CSC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=N2)=C1	REAL300012031906	0	50	0.0	-51.08	390.98	9.36	-41.72
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031907	0	60	0.0	-49.95	446.41	9.76	-40.19
COC(=O)C1=C2COCCN2C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031908	0	52	0.0	-55.97	391.93	8.68	-47.29
O=C([O-])C1(C[NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)CC2CCC1C2	REAL300012031909	0	57	0.0	-56.21	413.34	11.24	-44.97
CN1N=C(C2CC2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031910	0	47	0.0	-51.70	350.71	8.95	-42.75
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031911	0	50	0.0	-51.83	369.90	12.22	-39.61
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)(F)F)C(Cl)=C2Cl)CC2CCC1C2	REAL300012031912	0	43	0.0	-45.78	361.38	11.18	-34.60
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)CC2CCC1C2	REAL300012031913	0	44	0.0	-51.09	354.59	8.21	-42.88
O=C([O-])C1(C[NH2+]CC2=CN=C(C3CCOCC3)O2)CC2CCC1C2	REAL300012031914	0	50	0.0	-49.29	370.68	5.76	-43.53
COC1=NC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1F	REAL300012031915	0	43	0.0	-56.26	331.07	6.05	-50.21
O=C([O-])C1(C[NH2+]CC2=C(Cl)C=CC=C2Br)CC2CCC1C2	REAL300012031916	0	40	0.0	-38.27	330.51	10.20	-28.07
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C(Br)=C2F)CC2CCC1C2	REAL300012031917	0	40	0.0	-46.17	329.20	10.00	-36.17
O=C([O-])C1(C[NH2+]CC2=CN3C=CN=C3S2)CC2CCC1C2	REAL300012031918	0	40	0.0	-54.31	315.77	9.26	-45.05
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C(C(C)(C)C)O1	REAL300012031919	0	52	0.0	-43.36	382.46	10.87	-32.49
O=C([O-])C1(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)CC2CCC1C2	REAL300012031920	0	49	0.0	-47.29	376.67	9.65	-37.64
CC(C)(C)OC(=O)N1CCC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)CC1	REAL300012031921	0	60	0.0	-48.53	422.11	10.33	-38.20
CC1=CC(Br)=CN=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031922	0	42	0.0	-41.52	331.07	8.64	-32.88
O=C([O-])C1(C[NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)CC2CCC1C2	REAL300012031923	0	46	0.0	-55.86	372.39	7.22	-48.64
CC1OC2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=C2C1C	REAL300012031924	0	51	0.0	-48.46	371.91	10.41	-38.05
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OC(F)F	REAL300012031925	0	47	0.0	-43.98	357.85	9.63	-34.35
CC1=NC(Cl)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1Br	REAL300012031926	0	42	0.0	-42.90	345.20	9.06	-33.84
CC(C)CC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031927	0	52	0.0	-42.83	368.27	11.70	-31.13
CN1N=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1S(C)(=O)=O	REAL300012031928	0	46	0.0	-47.75	350.88	4.65	-43.10
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)NN=C1C(F)(F)F	REAL300012031929	0	43	0.0	-53.82	336.26	7.17	-46.65
CC(C)CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)N=N1	REAL300012031930	0	48	0.0	-45.62	358.03	8.16	-37.46
O=C([O-])C1(C[NH2+]CC2=NC(C3CC3)=CS2)CC2CCC1C2	REAL300012031931	0	43	0.0	-47.82	334.15	8.52	-39.30
O=C([O-])C1(C[NH2+]CC2=CC(C(F)(F)F)=NN2)CC2CCC1C2	REAL300012031932	0	40	0.0	-55.11	319.67	6.66	-48.45
O=C([O-])C1(C[NH2+]CC2=CC=C3CCOC3=C2)CC2CCC1C2	REAL300012031933	0	45	0.0	-49.43	334.25	9.14	-40.29
CS(=O)(=O)C1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=CS1	REAL300012031934	0	43	0.0	-40.75	336.70	6.15	-34.60
CSC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031935	0	44	0.0	-47.81	338.73	10.32	-37.49
CC(C)C1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)N(C)N=C1	REAL300012031936	0	49	0.0	-48.07	360.68	8.79	-39.28
CC1=C(Br)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C(C)S1	REAL300012031937	0	43	0.0	-37.49	346.31	10.23	-27.26
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2=CC=CC(F)=C2)=N1	REAL300012031938	0	50	0.0	-43.44	384.07	10.53	-32.91
CCCN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=N1	REAL300012031939	0	49	0.0	-44.89	360.76	9.19	-35.70
O=C([O-])C1(C[NH2+]CC2=CC3=NC=CC=C3O2)CC2CCC1C2	REAL300012031940	0	42	0.0	-51.36	321.02	8.02	-43.34
O=C([O-])C1(C[NH2+]CC2=CC=C(CC3CC3)S2)CC2CCC1C2	REAL300012031941	0	47	0.0	-42.10	363.59	11.54	-30.56
O=C([O-])C1(C[NH2+]CC2=CC=C(OC3CC3)C=C2)CC2CCC1C2	REAL300012031942	0	48	0.0	-46.96	358.77	10.27	-36.69
O=C([O-])C1(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)CC2CCC1C2	REAL300012031943	0	44	0.0	-50.19	350.06	9.12	-41.07
O=C([O-])C1(C[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)CC2CCC1C2	REAL300012031944	0	46	0.0	-50.69	369.71	11.18	-39.51
CC1=NC=CN1C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=C1	REAL300012031945	0	53	0.0	-52.60	393.70	12.31	-40.29
CC1=C(C)N(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=C2)C=N1	REAL300012031946	0	53	0.0	-54.00	396.12	12.90	-41.10
CNC(=O)C1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031947	0	47	0.0	-56.12	354.99	7.57	-48.55
O=C([O-])C1(C[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)CC2CCC1C2	REAL300012031948	0	54	0.0	-44.79	393.35	13.32	-31.47
CCNC(=O)C1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031950	0	50	0.0	-55.57	376.48	8.42	-47.15
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)OC2=CC=C(F)C=C12	REAL300012031951	0	46	0.0	-47.14	352.35	10.50	-36.64
O=C([O-])C1(C[NH2+]CC2=CC(C3CCC3)=NN2)CC2CCC1C2	REAL300012031952	0	47	0.0	-51.01	345.50	8.21	-42.80
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031953	0	50	0.0	-53.38	378.61	10.46	-42.92
CC(C)(C)C1=CN=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031954	0	51	0.0	-49.22	369.78	9.79	-39.43
O=C([O-])C1(C[NH2+]CC2=CC3=C(Br)C=CC=C3S2)CC2CCC1C2	REAL300012031955	0	43	0.0	-45.90	356.34	11.42	-34.48
O=C([O-])C1(C[NH2+]CC2=NN(CC(F)(F)F)C=C2)CC2CCC1C2	REAL300012031956	0	43	0.0	-45.41	340.69	8.37	-37.04
O=C([O-])C1(C[NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)CC2CCC1C2	REAL300012031957	0	50	0.0	-47.44	371.26	11.34	-36.10
CN1C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=NC2=C1CCCC2	REAL300012031958	0	50	0.0	-52.34	360.99	9.90	-42.44
COC1=NC(Cl)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031959	0	43	0.0	-52.39	341.03	6.48	-45.91
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C(F)(F)F)=N1	REAL300012031960	0	43	0.0	-56.75	336.84	8.14	-48.61
O=C([O-])C1(C[NH2+]CC2=CC=CC(C(F)F)=C2F)CC2CCC1C2	REAL300012031961	0	43	0.0	-52.02	334.98	10.21	-41.81
O=C([O-])C1(C[NH2+]CC2=CC=CC3=C2COCC3)CC2CCC1C2	REAL300012031962	0	48	0.0	-46.99	345.10	9.29	-37.70
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031963	0	47	0.0	-44.06	365.09	10.10	-33.96
O=C([O-])C1(C[NH2+]CC2=NC3=C(COCC3)S2)CC2CCC1C2	REAL300012031964	0	44	0.0	-49.44	337.93	6.64	-42.80
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)CC2CCC1C2	REAL300012031965	0	47	0.0	-44.11	361.13	9.23	-34.88
O=C([O-])C1(C[NH2+]CC2=CC3=C(CCCC3)O2)CC2CCC1C2	REAL300012031966	0	47	0.0	-43.94	342.67	10.13	-33.81
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)CC2CCC1C2	REAL300012031967	0	42	0.0	-58.43	333.13	10.04	-48.39
O=C([O-])C1(C[NH2+]CC2=CN(C3CCCCC3)N=C2)CC2CCC1C2	REAL300012031968	0	53	0.0	-45.85	383.16	10.35	-35.50
O=C([O-])C1(C[NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)CC2CCC1C2	REAL300012031969	0	47	0.0	-49.83	372.25	10.77	-39.06
O=C([O-])C1(C[NH2+]CC2=C(F)C=C(Br)C=C2F)CC2CCC1C2	REAL300012031970	0	40	0.0	-42.37	330.31	9.96	-32.41
CN(CCO)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=N1	REAL300012031971	0	51	0.0	-49.36	378.09	6.87	-42.49
COC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=CC=C1C(C)(C)C	REAL300012031972	0	56	0.0	-46.14	393.12	11.13	-35.01
CN1C=C(Br)N=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031973	0	40	0.0	-56.23	319.74	8.15	-48.08
COC1=CC(C)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=N1	REAL300012031974	0	46	0.0	-48.39	340.70	6.61	-41.78
COC1=CC(C)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1O	REAL300012031975	0	48	0.0	-47.80	353.99	6.98	-40.82
O=C([O-])C1(C[NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)CC2CCC1C2	REAL300012031976	0	46	0.0	-43.30	355.15	8.41	-34.89
CN1C(=O)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC2=CC=CC=C21	REAL300012031977	0	49	0.0	-41.57	364.87	10.07	-31.50
COC1=NC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1C	REAL300012031978	0	46	0.0	-43.13	345.82	6.69	-36.44
CC1=CC(C)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=C1Br	REAL300012031979	0	49	0.0	-43.90	368.82	11.41	-32.49
O=C([O-])C1(C[NH2+]CC=CC2=CC=C3OCOC3=C2)CC2CCC1C2	REAL300012031980	0	47	0.0	-51.31	355.51	9.25	-42.06
O=C([O-])C1(C[NH2+]CC2=CC=C(CC3CCC3)C=C2)CC2CCC1C2	REAL300012031981	0	53	0.0	-44.18	389.49	12.82	-31.36
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012031982	0	50	0.0	-50.65	394.70	10.07	-40.58
CCC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=NN1CC	REAL300012031983	0	49	0.0	-44.16	357.75	9.21	-34.95
O=C([O-])C1(C[NH2+]CC2=C(F)C=CC(Cl)=C2F)CC2CCC1C2	REAL300012031984	0	40	0.0	-41.41	325.33	9.85	-31.56
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031985	0	57	0.0	-49.52	420.20	9.54	-39.98
O=C([O-])C1(C[NH2+]CC2=CC=NN2C2CC2(F)F)CC2CCC1C2	REAL300012031986	0	44	0.0	-55.99	342.08	8.84	-47.15
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C(F)(F)F)=CO1	REAL300012031987	0	43	0.0	-39.01	337.86	9.09	-29.92
CC(F)(F)C1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031988	0	46	0.0	-50.22	351.72	10.82	-39.40
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)CC2CCC1C2	REAL300012031989	0	46	0.0	-48.96	361.44	10.08	-38.88
CN1C=C(C2=NNC=C2C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=N1	REAL300012031990	0	47	0.0	-46.11	358.69	7.01	-39.10
CCCN1N=C(C)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1Cl	REAL300012031991	0	49	0.0	-46.42	379.97	9.57	-36.85
CC(C)(C#N)C1=NC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)S1	REAL300012031992	0	46	0.0	-46.27	365.19	8.64	-37.63
COC1=CC=C(Br)C(F)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012031993	0	44	0.0	-39.70	352.58	9.30	-30.40
N#CC1=CC(F)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(Br)=C1	REAL300012031994	0	41	0.0	-44.07	343.33	10.22	-33.85
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC(F)=C2F)CC2CCC1C2	REAL300012031995	0	40	0.0	-44.61	315.76	9.48	-35.13
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)CC2CCC1C2	REAL300012031996	0	47	0.0	-47.08	363.94	11.72	-35.36
CC(C)(C)C1=NNC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012031997	0	49	0.0	-50.57	360.39	8.13	-42.44
O=C([O-])C1(C[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)CC2CCC1C2	REAL300012031998	0	46	0.0	-49.06	356.18	11.94	-37.12
O=C([O-])C1(C[NH2+]CC2=CC=C(Cl)C(Br)=C2F)CC2CCC1C2	REAL300012031999	0	40	0.0	-45.30	338.32	10.41	-34.89
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OC2CCCCC2)CC2CCC1C2	REAL300012032000	0	57	0.0	-43.55	408.10	12.13	-31.42
O=C([O-])C1(C[NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CC2CCC1C2	REAL300012032001	0	51	0.0	-48.72	403.82	12.65	-36.07
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)CC2CCC1C2	REAL300012032002	0	60	0.0	-45.97	428.65	12.81	-33.16
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OCC2=CC=C(Cl)C=C2)CC2CCC1C2	REAL300012032003	0	54	0.0	-45.39	425.11	13.17	-32.22
COC1=CC=CC(OC2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=C2)=C1	REAL300012032004	0	55	0.0	-50.70	416.61	11.44	-39.26
CCN1CCCC2=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=CC=C21	REAL300012032005	0	55	0.0	-44.88	387.43	10.31	-34.57
COCC1=CN=C(OC)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012032006	0	50	0.0	-47.29	376.55	5.84	-41.45
CN1N=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1Br	REAL300012032007	0	40	0.0	-46.59	321.11	7.51	-39.08
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012032008	0	55	0.0	-51.93	416.25	12.04	-39.89
COC1=C(Br)C=CC(F)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032009	0	44	0.0	-42.29	354.01	9.37	-32.92
COCC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032010	0	47	0.0	-46.55	344.95	9.15	-37.40
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)CC2CCC1C2	REAL300012032011	0	53	0.0	-46.41	407.91	14.00	-32.41
O=C([O-])C1(C[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)CC2CCC1C2	REAL300012032012	0	44	0.0	-49.49	354.92	10.76	-38.73
O=C([O-])C1(C[NH2+]CC2=CC=CC(OCC3=CC=C(Cl)C=C3)=C2)CC2CCC1C2	REAL300012032013	0	54	0.0	-48.63	426.52	13.10	-35.53
O=C([O-])C1(C[NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)CC2CCC1C2	REAL300012032014	0	53	0.0	-49.79	391.71	9.97	-39.82
O=C([O-])C1(C[NH2+]CC2=CC=C3CCOCC3=C2)CC2CCC1C2	REAL300012032015	0	48	0.0	-47.25	352.10	9.38	-37.87
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)SC2=CC(F)=CC=C12	REAL300012032016	0	46	0.0	-44.66	359.11	11.39	-33.27
O=C([O-])C1(C[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)CC2CCC1C2	REAL300012032017	0	46	0.0	-54.41	353.01	7.47	-46.94
COC1=CC=C(F)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1OC	REAL300012032018	0	48	0.0	-42.56	362.82	8.59	-33.97
CN1C=CC(C2=NNC=C2C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=N1	REAL300012032019	0	47	0.0	-50.73	358.68	7.35	-43.38
CC1=CC=C(F)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1Br	REAL300012032020	0	43	0.0	-39.30	340.12	10.39	-28.91
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OCCC2CCCCC2)CC2CCC1C2	REAL300012032021	0	63	0.0	-43.99	450.70	13.59	-30.40
O=C([O-])C1(C[NH2+]CC2=CC=CC(OCC3CCC3)=C2)CC2CCC1C2	REAL300012032022	0	54	0.0	-47.33	398.11	11.66	-35.67
CC(F)(F)C1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032023	0	46	0.0	-38.78	339.04	10.82	-27.96
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OCCO	REAL300012032024	0	52	0.0	-53.59	390.49	6.34	-47.25
CCN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2CC2)=N1	REAL300012032025	0	50	0.0	-49.96	374.80	10.14	-39.82
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1OCCO	REAL300012032026	0	52	0.0	-54.33	390.49	6.34	-47.99
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2=CC=NN2C)=N1	REAL300012032027	0	50	0.0	-57.65	383.50	8.21	-49.44
CC(C)(C)C1=NOC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032028	0	48	0.0	-47.66	346.04	9.05	-38.61
O=C([O-])C1(C[NH2+]CC2=CC3=CN=CC=C3C=C2)CC2CCC1C2	REAL300012032029	0	45	0.0	-51.14	339.51	9.78	-41.36
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC=C1OCC1CCCO1	REAL300012032030	0	59	0.0	-52.41	436.20	9.93	-42.48
CC1=CC2=CC=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=C2O1	REAL300012032031	0	46	0.0	-48.93	347.74	10.45	-38.48
O=C([O-])C1(C[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)CC2CCC1C2	REAL300012032032	0	43	0.0	-43.06	332.02	10.41	-32.65
O=C([O-])C1(C[NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)CC2CCC1C2	REAL300012032033	0	47	0.0	-43.31	373.28	10.07	-33.24
COC1=CSC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1OC	REAL300012032034	0	45	0.0	-48.21	351.28	7.34	-40.87
O=C([O-])C1(C[NH2+]CC2=CON=C2C2CCC2)CC2CCC1C2	REAL300012032035	0	46	0.0	-51.46	343.08	9.37	-42.09
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CN=C(C(F)F)S3)C=C2)CC2CCC1C2	REAL300012032036	0	49	0.0	-50.92	395.84	11.04	-39.88
O=C([O-])C1(C[NH2+]CC2=C(Br)C=CC3=C2OCO3)CC2CCC1C2	REAL300012032037	0	43	0.0	-40.03	342.62	8.44	-31.59
CS(=O)(=O)C1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)SC=C1	REAL300012032038	0	43	0.0	-48.19	340.31	5.92	-42.27
CS(=O)(=O)C1=COC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012032039	0	43	0.0	-53.35	342.33	4.90	-48.45
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)CC2CCC1C2	REAL300012032040	0	43	0.0	-52.70	342.81	10.34	-42.36
CC(C)OC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1F	REAL300012032041	0	50	0.0	-53.35	374.05	10.23	-43.12
CCN1C=C(Cl)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=N1	REAL300012032042	0	43	0.0	-42.74	339.49	8.37	-34.37
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C(Cl)=C2F)CC2CCC1C2	REAL300012032043	0	40	0.0	-46.13	324.94	9.90	-36.23
O=C([O-])C1(C[NH2+]CC2=CC=CC(C(F)F)=C2)CC2CCC1C2	REAL300012032044	0	43	0.0	-49.47	330.70	10.16	-39.31
O=C([O-])C1(C[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)CC2CCC1C2	REAL300012032045	0	46	0.0	-50.54	348.89	11.55	-38.99
CS(=O)(=O)C1=CSC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012032046	0	43	0.0	-55.57	350.61	5.90	-49.67
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=NN1C1CCC1	REAL300012032047	0	50	0.0	-44.74	366.09	9.78	-34.96
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)CC2CCC1C2	REAL300012032048	0	47	0.0	-49.47	374.07	11.03	-38.44
CC1=NN(C2CCCC2)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012032049	0	53	0.0	-50.77	386.65	10.39	-40.38
O=C([O-])C1(C[NH2+]CC2=CC=NN2CC(F)F)CC2CCC1C2	REAL300012032050	0	43	0.0	-55.00	333.87	8.04	-46.96
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)C=C2OC2CC2)CC2CCC1C2	REAL300012032051	0	48	0.0	-47.12	379.08	10.96	-36.16
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032052	0	50	0.0	-46.68	379.06	9.97	-36.71
O=C([O-])C1(C[NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)CC2CCC1C2	REAL300012032053	0	43	0.0	-42.21	339.75	10.75	-31.46
O=C([O-])C1(C[NH2+]CC2=C(F)C=CC(Br)=C2Cl)CC2CCC1C2	REAL300012032054	0	40	0.0	-39.97	337.28	10.29	-29.68
O=C([O-])C1(C[NH2+]CC2=C(F)C=CN=C2Cl)CC2CCC1C2	REAL300012032055	0	39	0.0	-41.57	313.05	7.90	-33.67
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)CC2CCC1C2	REAL300012032056	0	47	0.0	-50.13	363.75	10.58	-39.55
CN(C)C1=CN=CC(F)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032057	0	47	0.0	-39.86	352.22	7.39	-32.47
COC1=NC(C)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=C1Cl	REAL300012032058	0	49	0.0	-51.05	372.67	7.53	-43.52
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032059	0	49	0.0	-47.43	373.33	9.62	-37.81
O=C([O-])C1(C[NH2+]CC2=NN(C3CCC3)C=C2)CC2CCC1C2	REAL300012032060	0	47	0.0	-42.34	346.61	8.98	-33.36
O=C([O-])C1(C[NH2+]CC2=NN(CC(F)F)C=C2)CC2CCC1C2	REAL300012032061	0	43	0.0	-45.13	334.64	8.20	-36.93
O=C([O-])C1(C[NH2+]CC2=NN(C3CC3(F)F)C=C2)CC2CCC1C2	REAL300012032062	0	44	0.0	-47.47	344.31	8.74	-38.73
CC1=NN(C2CCCCC2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032063	0	56	0.0	-48.94	402.70	10.94	-38.00
O=C([O-])C1(C[NH2+]CC2=CN(C3CCOCC3)N=C2)CC2CCC1C2	REAL300012032064	0	51	0.0	-49.33	373.94	7.95	-41.38
CC1=NN(C2CCOCC2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032065	0	54	0.0	-49.02	393.43	8.53	-40.49
O=C([O-])C1(C[NH2+]CC2=CC(Br)=CC3=CC=CN=C32)CC2CCC1C2	REAL300012032066	0	45	0.0	-45.43	359.56	10.43	-35.00
O=C([O-])C1(C[NH2+]CC2=NN(C3CCCC3)C=C2)CC2CCC1C2	REAL300012032067	0	50	0.0	-42.11	364.16	9.65	-32.46
NS(=O)(=O)C1=CSC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012032068	0	42	0.0	-55.26	344.19	3.30	-51.96
O=C([O-])C1(C[NH2+]CC2=NC=C(Cl)C=C2Cl)CC2CCC1C2	REAL300012032069	0	39	0.0	-41.46	324.37	8.38	-33.08
O=C([O-])C1(C[NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)CC2CCC1C2	REAL300012032070	0	55	0.0	-57.25	403.30	8.77	-48.48
CC1=NN(C2CCCC2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032071	0	53	0.0	-48.85	383.70	10.33	-38.52
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2C(F)F)CC2CCC1C2	REAL300012032072	0	43	0.0	-44.00	321.53	10.25	-33.75
CC1=CC(Br)=C(F)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012032073	0	43	0.0	-42.10	345.03	10.62	-31.48
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)C(Cl)=C2F)CC2CCC1C2	REAL300012032074	0	40	0.0	-45.31	338.47	10.42	-34.89
COC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1Br	REAL300012032075	0	44	0.0	-49.72	343.31	9.19	-40.53
O=C([O-])C1(C[NH2+]CC2=CC=C(Cl)C(F)=C2F)CC2CCC1C2	REAL300012032076	0	40	0.0	-46.30	325.36	9.91	-36.39
CN1C=C(C2=CC=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)=C2)C=N1	REAL300012032077	0	50	0.0	-50.63	378.64	10.59	-40.04
COC1=CC(F)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1Br	REAL300012032078	0	44	0.0	-48.59	353.86	9.29	-39.30
O=C([O-])C1(C[NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)CC2CCC1C2	REAL300012032079	0	50	0.0	-62.12	384.97	11.70	-50.42
CC1=CC=C(Br)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032080	0	43	0.0	-43.74	334.52	10.53	-33.21
COC1=C(C#N)C=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032081	0	45	0.0	-48.47	347.85	9.11	-39.36
COC1=NC2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3C4)C=C2S1	REAL300012032082	0	46	0.0	-51.46	362.81	7.11	-44.35
O=C([O-])C1(C[NH2+]CC2=CC=NC(Br)=C2)CC2CCC1C2	REAL300012032083	0	39	0.0	-50.16	314.86	8.03	-42.13
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC(Cl)=C2Cl)CC2CCC1C2	REAL300012032084	0	40	0.0	-42.25	331.97	10.31	-31.94
CC1=NC(Cl)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032085	0	42	0.0	-52.82	325.18	8.52	-44.30
CC(C)(C)COC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012032086	0	56	0.0	-46.69	410.31	11.64	-35.05
O=C([O-])C1(C[NH2+]CC2=CC(Br)=CC(Cl)=C2F)CC2CCC1C2	REAL300012032087	0	40	0.0	-43.43	340.55	10.45	-32.98
COC1=CC(Cl)=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012032088	0	44	0.0	-47.53	344.75	9.11	-38.42
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)CC2CCC1C2	REAL300012032089	0	43	0.0	-58.19	349.96	10.64	-47.55
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CC(F)=C1F	REAL300012032090	0	44	0.0	-57.26	340.53	8.73	-48.53
COC1=CC(C)=NC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032091	0	46	0.0	-46.17	343.59	7.50	-38.67
CN1N=CC=C1C1=NNC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032092	0	47	0.0	-57.42	360.53	6.95	-50.47
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2CC2)=NO1	REAL300012032093	0	46	0.0	-48.41	347.66	9.70	-38.71
COC(=O)C1=C(C)NC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1C	REAL300012032094	0	50	0.0	-54.50	381.22	9.04	-45.46
CC(C)OC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)O1	REAL300012032095	0	47	0.0	-45.56	354.42	9.53	-36.03
CC1=CC(Br)=CC(C)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032096	0	46	0.0	-45.75	352.97	10.97	-34.78
O=C([O-])C1(C[NH2+]CC2=C(O)C=CC(F)=C2Br)CC2CCC1C2	REAL300012032097	0	41	0.0	-38.34	331.99	7.03	-31.31
O=C([O-])C1(C[NH2+]CC2=C(Cl)C=CC3=C2OCO3)CC2CCC1C2	REAL300012032098	0	43	0.0	-40.73	338.59	8.37	-32.36
N#CC1=CC(F)=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012032099	0	41	0.0	-54.89	325.78	9.75	-45.14
O=C([O-])C1(C[NH2+]CC2=CC=C(C3CCCCC3)C=C2)CC2CCC1C2	REAL300012032100	0	56	0.0	-44.38	400.26	13.10	-31.28
COC1=CC=CC=C1C=CC[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032101	0	48	0.0	-46.53	357.80	9.95	-36.58
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)SC(Br)=C1	REAL300012032102	0	40	0.0	-43.15	328.91	9.72	-33.43
CC1=NN(C2CCC2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032103	0	50	0.0	-49.47	366.20	9.67	-39.80
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=NN1CC(F)F	REAL300012032104	0	46	0.0	-47.72	353.70	8.74	-38.98
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)CC2CCC1C2	REAL300012032105	0	48	0.0	-52.20	367.70	9.64	-42.56
CCCN1N=C(C)C(Cl)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032106	0	49	0.0	-42.92	380.65	9.50	-33.42
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032107	0	52	0.0	-45.58	396.65	11.39	-34.19
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032108	0	47	0.0	-56.19	361.81	8.55	-47.64
O=C([O-])C1(C[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)CC2CCC1C2	REAL300012032109	0	53	0.0	-45.47	401.31	13.76	-31.71
CCCCC(=O)NC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012032110	0	56	0.0	-52.69	418.38	10.56	-42.13
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=N1	REAL300012032111	0	46	0.0	-50.50	340.49	6.58	-43.92
CCN(C)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C)=C1	REAL300012032112	0	54	0.0	-43.54	386.59	11.27	-32.27
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CN=C2Br)CC2CCC1C2	REAL300012032113	0	39	0.0	-42.42	325.78	8.50	-33.92
O=C([O-])C1(C[NH2+]CC2=C(Cl)C(Cl)=CS2)CC2CCC1C2	REAL300012032114	0	37	0.0	-47.09	319.96	9.34	-37.75
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032115	0	61	0.0	-46.82	428.01	11.52	-35.30
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032116	0	51	0.0	-37.52	374.20	8.65	-28.87
O=C([O-])C1(C[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)CC2CCC1C2	REAL300012032117	0	44	0.0	-51.59	360.54	9.65	-41.94
O=C([O-])C1(C[NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)CC2CCC1C2	REAL300012032118	0	50	0.0	-50.67	386.97	12.12	-38.55
O=C([O-])C1(C[NH2+]CC2=CC=C3SC=CC3=C2)CC2CCC1C2	REAL300012032119	0	43	0.0	-48.57	335.32	10.67	-37.90
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)CC2CCC1C2	REAL300012032120	0	49	0.0	-49.92	367.80	10.96	-38.96
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012032121	0	62	0.0	-48.37	457.40	14.21	-34.16
CC(C)(C)C1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=NO1	REAL300012032122	0	48	0.0	-44.05	341.60	9.35	-34.70
CC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1C(F)(F)F	REAL300012032123	0	46	0.0	-40.29	343.26	10.90	-29.39
CCC(C)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300012032124	0	52	0.0	-44.14	377.18	11.89	-32.25
O=C([O-])C1(C[NH2+]CC2=CC3=NC=C(Br)C=C3O2)CC2CCC1C2	REAL300012032125	0	42	0.0	-50.41	342.32	8.61	-41.80
O=C([O-])C1(C[NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)CC2CCC1C2	REAL300012032126	0	45	0.0	-55.02	364.14	9.65	-45.37
O=C([O-])C1(C[NH2+]CC2=CC3=C(CCOC3)N=C2Cl)CC2CCC1C2	REAL300012032127	0	47	0.0	-44.04	359.33	7.96	-36.08
O=C([O-])C1(C[NH2+]CC2=CC3=CC(Br)=CC=C3S2)CC2CCC1C2	REAL300012032128	0	43	0.0	-45.40	357.16	11.46	-33.94
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032129	0	53	0.0	-53.72	399.95	11.90	-41.82
CC(F)(F)C1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=N1	REAL300012032130	0	45	0.0	-45.08	346.27	9.20	-35.88
O=C([O-])C1(C[NH2+]CC2=CC(Br)=CC(F)=C2F)CC2CCC1C2	REAL300012032131	0	40	0.0	-44.01	330.66	10.02	-33.99
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=C(Br)C=C2F)CC2CCC1C2	REAL300012032132	0	40	0.0	-49.90	340.08	10.40	-39.50
O=C([O-])C1(C[NH2+]CC2=CC=CC3=C2CCCC3)CC2CCC1C2	REAL300012032133	0	50	0.0	-43.73	353.86	11.66	-32.07
O=C([O-])C1(C[NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)CC2CCC1C2	REAL300012032134	0	42	0.0	-57.22	348.02	10.59	-46.63
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032135	0	47	0.0	-47.57	358.89	11.20	-36.37
COC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=CC(Br)=C1F	REAL300012032136	0	44	0.0	-55.73	354.76	9.36	-46.37
O=C([O-])C1(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2F)CC2CCC1C2	REAL300012032137	0	43	0.0	-55.98	341.88	10.32	-45.66
O=C([O-])C1(C[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)CC2CCC1C2	REAL300012032138	0	46	0.0	-59.23	350.89	9.21	-50.02
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C=CC2=CC=CC=C21	REAL300012032139	0	49	0.0	-46.30	355.88	11.98	-34.32
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032140	0	58	0.0	-48.35	423.58	10.95	-37.40
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)CC2CCC1C2	REAL300012032141	0	46	0.0	-47.17	363.06	12.08	-35.09
COC1=C2C=CNC2=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032142	0	48	0.0	-50.12	359.40	8.72	-41.40
O=C([O-])C1(C[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)CC2CCC1C2	REAL300012032143	0	53	0.0	-46.69	385.99	6.30	-40.39
COC1=CC=C(OC)C(OC)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032144	0	52	0.0	-40.97	385.65	7.90	-33.07
CCCN1N=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1C	REAL300012032145	0	49	0.0	-45.14	363.07	9.15	-35.99
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)CC2CCC1C2	REAL300012032146	0	57	0.0	-50.67	403.94	11.40	-39.27
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)CC2CCC1C2	REAL300012032147	0	54	0.0	-44.33	412.10	12.81	-31.52
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C2=NC=CC=C2C=C1	REAL300012032148	0	48	0.0	-38.36	354.23	10.38	-27.98
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=CN=C1N1C=CC=N1	REAL300012032149	0	49	0.0	-54.17	369.98	10.62	-43.55
COC(=O)C1=CN(C)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1	REAL300012032150	0	47	0.0	-57.85	360.30	9.42	-48.43
COC1=CC=C(Br)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)=C1O	REAL300012032151	0	45	0.0	-43.08	355.51	6.97	-36.11
CCCN1N=C(C)C=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1C2	REAL300012032152	0	49	0.0	-50.17	364.47	9.13	-41.04
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)C(C2CCC2)=N1	REAL300012032153	0	50	0.0	-49.37	369.68	9.71	-39.66
CC(C)(C)C1=NC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2C3)O1	REAL300012032154	0	48	0.0	-46.42	357.47	6.72	-39.70
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)C=C2C)C(=O)[O-])C=C1	REAL300012032155	0	55	0.0	-61.02	429.87	12.39	-48.63
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C)=CC=C2C)C(=O)[O-])C=C1	REAL300012032156	0	55	0.0	-60.96	429.91	12.38	-48.58
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC=CN=C3C=C2)C(=O)[O-])C=C1	REAL300012032157	0	54	0.0	-82.78	433.25	11.39	-71.39
COC1=CC=C(CC(CCC[NH2+]CC2CC3C=CC2C3)C(=O)[O-])C=C1	REAL300012032158	0	54	0.0	-75.42	409.57	11.58	-63.84
COC1=CC=C(CC(CCC[NH2+]CC2CCCCC2)C(=O)[O-])C=C1	REAL300012032159	0	55	0.0	-60.56	414.68	11.42	-49.14
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300012032160	0	61	0.0	-61.71	469.87	13.42	-48.29
COC1=CC=C(CC(CCC[NH2+]CC2=CNN=C2C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012032161	0	56	0.0	-69.37	450.05	10.93	-58.44
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(Br)O2)C(=O)[O-])C=C1	REAL300012032162	0	46	0.0	-58.08	388.02	9.70	-48.38
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C)=C2C)C(=O)[O-])C=C1	REAL300012032163	0	55	0.0	-60.97	426.18	12.27	-48.70
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)C(C)=C2)C(=O)[O-])C=C1	REAL300012032164	0	55	0.0	-61.77	432.08	12.30	-49.47
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC=C2OC(C)C)C(=O)[O-])C=C1	REAL300012032165	0	59	0.0	-59.07	461.56	12.02	-47.05
CCC1=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012032166	0	58	0.0	-65.02	458.79	13.05	-51.97
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC)C=C2Cl)C(=O)[O-])C=C1	REAL300012032167	0	53	0.0	-58.79	427.76	10.56	-48.23
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C#N)=C2)C(=O)[O-])C=C1	REAL300012032168	0	50	0.0	-66.13	406.44	11.21	-54.92
COC1=CC=C(CC(CCC[NH2+]CC2=CNN=C2C2=CC=CS2)C(=O)[O-])C=C1	REAL300012032169	0	53	0.0	-75.06	435.83	10.15	-64.91
COC1=CC=C(CC(CCC[NH2+]CC2=CSC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300012032170	0	52	0.0	-66.45	430.53	12.46	-53.99
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC=CC=C3OC2)C(=O)[O-])C=C1	REAL300012032171	0	55	0.0	-78.62	438.17	11.53	-67.09
COC1=CC=C(CC(CCC[NH2+]CC2=CNN=C2C2=CC=C(C)O2)C(=O)[O-])C=C1	REAL300012032172	0	56	0.0	-65.24	454.74	10.21	-55.03
COC1=CC=C(CC(CCC[NH2+]CC2=CNN=C2C2=CC=CN=C2)C(=O)[O-])C=C1	REAL300012032173	0	55	0.0	-72.89	444.61	9.20	-63.69
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(Cl)S2)C(=O)[O-])C=C1	REAL300012032174	0	46	0.0	-63.58	400.94	10.82	-52.76
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300012032175	0	54	0.0	-59.34	433.46	11.60	-47.74
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C(=O)[O-])C=C1	REAL300012032176	0	56	0.0	-65.57	443.93	12.03	-53.54
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C(=O)[O-])C=C1	REAL300012032177	0	55	0.0	-74.06	446.96	13.62	-60.44
CCC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])O1	REAL300012032178	0	52	0.0	-55.90	409.72	10.57	-45.33
COC1=CC=C(CC(CCC[NH2+]CC2=CC(F)=CC=C2F)C(=O)[O-])C=C1	REAL300012032179	0	49	0.0	-57.92	397.55	10.92	-47.00
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(F)C=C2Cl)C(=O)[O-])C=C1	REAL300012032180	0	49	0.0	-59.72	404.69	11.33	-48.39
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(F)C(Cl)=C2)C(=O)[O-])C=C1	REAL300012032181	0	49	0.0	-64.49	408.17	11.38	-53.11
CCOC1=CC=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1	REAL300012032182	0	56	0.0	-74.00	443.63	11.26	-62.74
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)C(F)=C2)C(=O)[O-])C=C1	REAL300012032183	0	52	0.0	-64.85	420.39	11.80	-53.05
COC1=CC=C(CC(CCC[NH2+]CC2=CC(Cl)=CC=C2Cl)C(=O)[O-])C=C1	REAL300012032184	0	49	0.0	-56.15	414.99	11.78	-44.37
COC1=CC=C(CC(CCC[NH2+]CC2=CC(F)=C(F)C(F)=C2)C(=O)[O-])C=C1	REAL300012032185	0	49	0.0	-74.99	412.67	11.28	-63.71
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300012032186	0	52	0.0	-63.09	431.06	12.64	-50.45
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(Cl)C(F)=C2)C(=O)[O-])C=C1	REAL300012032187	0	49	0.0	-70.66	416.26	11.66	-59.00
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CN=C2Cl)C(=O)[O-])C=C1	REAL300012032188	0	48	0.0	-75.89	399.04	9.66	-66.23
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C)N=C2C(C)C)C(=O)[O-])C=C1	REAL300012032189	0	58	0.0	-66.96	458.84	10.73	-56.23
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC)C(Cl)=C2)C(=O)[O-])C=C1	REAL300012032190	0	53	0.0	-62.68	431.10	10.67	-52.01
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1	REAL300012032191	0	55	0.0	-62.71	436.49	10.31	-52.40
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1	REAL300012032192	0	58	0.0	-77.36	451.94	11.05	-66.31
CCCOC1=CC=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1	REAL300012032193	0	59	0.0	-56.85	458.43	11.85	-45.00
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(OC(C)C)=C2)C(=O)[O-])C=C1	REAL300012032194	0	59	0.0	-58.70	454.85	11.67	-47.03
COC1=CC=C(CC(CCC[NH2+]CC2=CSC(C(C)C)=N2)C(=O)[O-])C=C1	REAL300012032195	0	54	0.0	-59.48	441.44	10.13	-49.35
COC1=CC=C(CC(CCC[NH2+]CC2=CSC(C(C)(C)C)=N2)C(=O)[O-])C=C1	REAL300012032196	0	57	0.0	-59.23	460.37	10.64	-48.59
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)C=CO2)C(=O)[O-])C=C1	REAL300012032197	0	49	0.0	-55.59	386.87	9.58	-46.01
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C(Cl)C(C)=C2)C(=O)[O-])C=C1	REAL300012032198	0	51	0.0	-83.24	422.63	10.25	-72.99
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(F)C3=CC=CN=C23)C(=O)[O-])C=C1	REAL300012032199	0	54	0.0	-62.90	439.11	11.64	-51.26
COC1=CC=C(CC(CCC[NH2+]CC2=CC(F)=CC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300012032200	0	54	0.0	-71.07	438.44	11.64	-59.43
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC(OC)=CC=C3O2)C(=O)[O-])C=C1	REAL300012032201	0	56	0.0	-80.08	449.48	10.84	-69.24
COC1=CC=C(CC(CCC[NH2+]CC=CC2=CC=C(Cl)C=C2)C(=O)[O-])C=C1	REAL300012032202	0	53	0.0	-62.50	439.96	12.82	-49.68
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)OC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300012032203	0	55	0.0	-58.81	434.52	12.00	-46.81
COC1=CC=C(CC(CCC[NH2+]CC2=COC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300012032204	0	52	0.0	-66.98	421.54	11.46	-55.52
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)C=N2)C(=O)[O-])C=C1	REAL300012032205	0	51	0.0	-64.63	410.04	9.91	-54.72
COC1=CC=C(CC(CCC[NH2+]CC=CC2=CC=C(F)C=C2F)C(=O)[O-])C=C1	REAL300012032206	0	53	0.0	-67.40	436.59	12.49	-54.91
COC1=CC=C(CC(CCC[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C(=O)[O-])C=C1	REAL300012032207	0	56	0.0	-76.13	451.02	12.15	-63.98
COC1=CC=C(CC(CCC[NH2+]CC2=C(Cl)SC=C2)C(=O)[O-])C=C1	REAL300012032208	0	46	0.0	-58.49	397.83	10.65	-47.84
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=C(F)C=CC=C3N2)C(=O)[O-])C=C1	REAL300012032209	0	53	0.0	-81.97	430.52	11.04	-70.93
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC=C(F)C=C3N2)C(=O)[O-])C=C1	REAL300012032210	0	53	0.0	-82.45	430.42	11.04	-71.41
CCOC1=CC=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=N1	REAL300012032211	0	55	0.0	-76.19	441.15	8.62	-67.57
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC=CN=C3C(C)=C2)C(=O)[O-])C=C1	REAL300012032212	0	57	0.0	-71.65	454.87	12.28	-59.37
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(Cl)C(C)=C2)C(=O)[O-])C=C1	REAL300012032213	0	52	0.0	-59.70	421.04	11.92	-47.78
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C3C=CSC3=C2)C(=O)[O-])C=C1	REAL300012032214	0	51	0.0	-63.57	417.45	10.30	-53.27
CCCC1=CC=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1	REAL300012032215	0	58	0.0	-61.89	458.05	13.30	-48.59
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC)C(C#N)=C2)C(=O)[O-])C=C1	REAL300012032216	0	54	0.0	-70.31	435.28	10.54	-59.77
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)C=C(Cl)C=C2C)C(=O)[O-])C=C1	REAL300012032217	0	55	0.0	-77.05	442.02	12.60	-64.45
CCOC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])N=C1	REAL300012032218	0	55	0.0	-66.58	440.03	9.46	-57.12
C=CCOC1=CC=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1	REAL300012032219	0	57	0.0	-64.43	457.94	11.90	-52.53
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C)=C(C)C=C2C)C(=O)[O-])C=C1	REAL300012032220	0	58	0.0	-62.47	446.88	12.90	-49.57
COC1=CC=C(CC(CCC[NH2+]CC(C)(C)C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012032221	0	58	0.0	-63.24	441.87	12.79	-50.45
COC1=CC=C(CC(CCC[NH2+]CC2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012032222	0	58	0.0	-60.69	428.48	11.81	-48.88
COC1=CC=C(CC(CCC[NH2+]CC(C)CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012032223	0	61	0.0	-62.96	472.82	13.96	-49.00
CCC1CCCC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C1	REAL300012032224	0	61	0.0	-74.44	452.20	12.61	-61.83
CCC1=CC=CC(Cl)=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032225	0	55	0.0	-57.85	443.62	12.71	-45.14
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC(C)=C(C)C=C3O2)C(=O)[O-])C=C1	REAL300012032226	0	58	0.0	-68.57	459.81	12.81	-55.76
CCCC1CCC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])CC1	REAL300012032227	0	64	0.0	-60.40	475.25	13.43	-46.97
COC1=CC=C(CC(CCC[NH2+]CC2CCCCC2C)C(=O)[O-])C=C1	REAL300012032228	0	58	0.0	-54.94	417.00	11.38	-43.56
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C(=O)[O-])C=C1	REAL300012032229	0	56	0.0	-71.49	449.63	13.48	-58.01
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C)=CC=C2OC)C(=O)[O-])C=C1	REAL300012032230	0	56	0.0	-53.85	435.13	10.85	-43.00
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC)C(F)=C2)C(=O)[O-])C=C1	REAL300012032231	0	53	0.0	-70.72	429.40	10.47	-60.25
COC1=CC=C(CC(CCC[NH2+]CC2CCOC(C(C)C)C2)C(=O)[O-])C=C1	REAL300012032232	0	62	0.0	-62.96	464.78	11.14	-51.82
COC1=CC=C(CC(CCC[NH2+]CC2CCC(C)(C)CC2)C(=O)[O-])C=C1	REAL300012032233	0	61	0.0	-74.84	447.11	12.24	-62.60
CCSC1=CC=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1	REAL300012032234	0	56	0.0	-74.10	453.96	12.89	-61.21
COC1=CC=C(CC(CCC[NH2+]CC2=C(O)C=CC(Cl)=C2F)C(=O)[O-])C=C1	REAL300012032235	1	50	0.0	-61.41	424.84	8.83	-52.58
COC1=CC=C(CC(CCC[NH2+]CC2(OC)CCCCC2)C(=O)[O-])C=C1	REAL300012032236	0	59	0.0	-55.42	428.82	10.19	-45.23
CCN1N=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012032237	0	58	0.0	-57.27	457.33	11.61	-45.66
COCCC1(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])CCCCC1	REAL300012032238	0	65	0.0	-61.37	472.38	11.31	-50.06
CCCOC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1	REAL300012032239	0	59	0.0	-58.60	458.43	11.85	-46.75
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC=CC=C3O2)C(=O)[O-])C=C1	REAL300012032240	0	52	0.0	-78.04	420.01	11.55	-66.49
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C(=O)[O-])C=C1	REAL300012032241	0	56	0.0	-58.21	445.83	12.71	-45.50
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)C([N+](=O)[O-])=C2)C(=O)[O-])C=C1	REAL300012032242	0	54	0.0	-75.99	437.88	12.29	-63.70
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC(C)C)C=C2)C(=O)[O-])C=C1	REAL300012032243	0	59	0.0	-66.17	462.79	11.94	-54.23
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(F)C(C)=C2)C(=O)[O-])C=C1	REAL300012032244	0	52	0.0	-60.95	412.30	11.52	-49.43
COC1=CC=C(CC(CCC[NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])C=C1	REAL300012032245	0	53	0.0	-76.87	423.49	11.03	-65.84
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(CC(C)C)C=C2)C(=O)[O-])C=C1	REAL300012032246	0	61	0.0	-61.63	474.87	13.78	-47.85
COC1=CC=C(CC(CCC[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012032247	0	49	0.0	-68.40	427.09	12.09	-56.31
COC1=CC=C(CC(CCC[NH2+]CC2=CC(F)=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012032248	0	49	0.0	-80.83	415.27	11.60	-69.23
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)C=CC=C2C)C(=O)[O-])C=C1	REAL300012032249	0	55	0.0	-73.34	425.28	12.10	-61.24
COC1=CC=C(CC(CCC[NH2+]CC2=CC(Br)=CO2)C(=O)[O-])C=C1	REAL300012032250	0	46	0.0	-64.65	396.13	9.87	-54.78
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])C=C1	REAL300012032251	0	53	0.0	-61.55	424.83	10.40	-51.15
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(Cl)C=C2F)C(=O)[O-])C=C1	REAL300012032252	0	49	0.0	-60.16	407.88	11.37	-48.79
COC1=CC=C(CC(CCC[NH2+]CC2=CC(Cl)=CC=C2F)C(=O)[O-])C=C1	REAL300012032253	0	49	0.0	-57.24	407.87	11.36	-45.88
COC1=CC=C(CC(CCC[NH2+]CC2=CC(F)=CC(F)=C2)C(=O)[O-])C=C1	REAL300012032254	0	49	0.0	-70.09	406.45	11.22	-58.87
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(Cl)=C2F)C(=O)[O-])C=C1	REAL300012032255	0	49	0.0	-67.07	415.42	11.62	-55.45
COC1=CC=C(CC(CCC[NH2+]CC2=NNC=C2C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012032256	0	56	0.0	-72.43	449.51	10.95	-61.48
COC1=CC=C(CC(CCC[NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C(=O)[O-])C=C1	REAL300012032256	1	56	0.0	-66.40	451.99	11.00	-55.40
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(F)=C2F)C(=O)[O-])C=C1	REAL300012032257	0	49	0.0	-68.39	405.53	11.19	-57.20
COC1=CC=C(CC(CCC[NH2+]CC2=NC3=CC=CC=C3N2C)C(=O)[O-])C=C1	REAL300012032258	0	55	0.0	-80.26	438.54	11.37	-68.89
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC)N=C2)C(=O)[O-])C=C1	REAL300012032259	0	52	0.0	-62.08	412.61	7.52	-54.56
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])C=C1	REAL300012032260	0	54	0.0	-60.66	421.47	10.66	-50.00
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])C=C1	REAL300012032261	0	60	0.0	-60.57	459.49	10.73	-49.84
COC1=CC=C(CC(CCC[NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])C=C1	REAL300012032262	0	53	0.0	-73.54	423.30	11.04	-62.50
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(F)C=C2C)C(=O)[O-])C=C1	REAL300012032263	0	52	0.0	-59.71	406.76	11.52	-48.19
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)N=C(C)S2)C(=O)[O-])C=C1	REAL300012032264	0	51	0.0	-65.74	419.49	9.56	-56.18
CNC(=O)C1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1	REAL300012032265	0	56	0.0	-73.77	450.10	9.37	-64.40
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C=C1	REAL300012032266	0	55	0.0	-66.52	439.74	13.34	-53.18
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC=CC(OC)=C3O2)C(=O)[O-])C=C1	REAL300012032267	0	56	0.0	-66.61	451.05	10.91	-55.70
COC1=CC=C(CC(CCC[NH2+]CC2=CC(OC)=CC(OC)=C2)C(=O)[O-])C=C1	REAL300012032268	0	57	0.0	-61.57	451.19	9.60	-51.97
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC=CC=C3NC2=O)C(=O)[O-])C=C1	REAL300012032270	0	55	0.0	-71.02	443.98	10.13	-60.89
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C(=O)[O-])C=C1	REAL300012032271	0	56	0.0	-72.93	453.03	11.02	-61.91
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C(=O)[O-])C=C1	REAL300012032272	0	55	0.0	-67.16	446.58	10.92	-56.24
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3C(=C2)N=CN3C)C(=O)[O-])C=C1	REAL300012032273	0	55	0.0	-68.65	442.02	12.43	-56.22
CCN1N=C(C)C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1C	REAL300012032274	0	58	0.0	-60.13	449.28	10.47	-49.66
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C(=O)[O-])C=C1	REAL300012032275	0	60	0.0	-66.62	471.09	12.34	-54.28
COC1=CC=C(CC(CCC[NH2+]CC2=COC(C3=CC=CC=C3)=N2)C(=O)[O-])C=C1	REAL300012032276	0	55	0.0	-68.74	450.29	9.52	-59.22
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C)=CC=C2F)C(=O)[O-])C=C1	REAL300012032277	0	52	0.0	-58.86	419.59	11.81	-47.05
COC1=CC=C(CC(CCC[NH2+]CC2=CC(F)=CC=C2C)C(=O)[O-])C=C1	REAL300012032278	0	52	0.0	-57.40	406.81	11.51	-45.89
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CN=C2C)C(=O)[O-])C=C1	REAL300012032279	0	51	0.0	-66.61	403.53	9.89	-56.72
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OCC(C)C)C=C2)C(=O)[O-])C=C1	REAL300012032280	0	62	0.0	-58.26	478.54	12.55	-45.71
COC1=CC=C(CC(CCC[NH2+]CC2CCCC(C)(C)C2)C(=O)[O-])C=C1	REAL300012032281	0	61	0.0	-55.25	440.56	12.03	-43.22
COC1=CC=C(CC(CCC[NH2+]CC2C(C)=CCCC2C)C(=O)[O-])C=C1	REAL300012032282	0	59	0.0	-75.43	433.82	12.04	-63.39
COC1=CC=C(CC(CCC[NH2+]CC2=CN=CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300012032283	0	54	0.0	-67.31	430.04	11.45	-55.86
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COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3OCCOC3=C2)C(=O)[O-])C=C1	REAL300012032309	0	55	0.0	-66.54	438.18	10.25	-56.29
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COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC)C(OC)=C2)C(=O)[O-])C=C1	REAL300012032329	0	57	0.0	-62.84	444.32	10.02	-52.82
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COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012032331	0	52	0.0	-62.36	424.30	11.83	-50.53
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(F)C=C2F)C(=O)[O-])C=C1	REAL300012032332	0	49	0.0	-60.94	397.56	10.92	-50.02
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COC1=CC=C(CC(CCC[NH2+]CC2CC=CCC2)C(=O)[O-])C=C1	REAL300012032335	0	53	0.0	-61.71	407.16	11.33	-50.38
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C=C1	REAL300012032336	0	53	0.0	-66.49	432.92	10.67	-55.82
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CCCCOC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1	REAL300012032338	0	62	0.0	-58.56	479.93	12.63	-45.93
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(OC)=C2)C(=O)[O-])C=C1	REAL300012032339	0	53	0.0	-58.38	415.08	10.12	-48.26
COC1=CC=C(CC(CCC[NH2+]CC(C)=CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012032340	0	56	0.0	-74.73	438.57	12.76	-61.97
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C(C)C)C=C2)C(=O)[O-])C=C1	REAL300012032341	0	58	0.0	-55.99	445.79	12.75	-43.24
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012032342	0	52	0.0	-62.03	424.63	11.84	-50.19
CCOC1=CC=CC=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032343	0	56	0.0	-53.72	435.57	11.12	-42.60
CCOC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1	REAL300012032344	0	56	0.0	-59.17	436.93	11.05	-48.12
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC=C2F)C(=O)[O-])C=C1	REAL300012032345	0	49	0.0	-59.07	398.23	11.14	-47.93
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300012032346	0	49	0.0	-76.67	398.68	11.11	-65.56
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COC1=CC=C(CC(CCC[NH2+]CC2=C(C)C=CS2)C(=O)[O-])C=C1	REAL300012032348	0	49	0.0	-62.49	402.34	10.76	-51.73
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC=C2C)C(=O)[O-])C=C1	REAL300012032349	0	52	0.0	-55.16	400.38	11.44	-43.72
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)C=C2)C(=O)[O-])C=C1	REAL300012032350	0	52	0.0	-61.96	415.07	11.77	-50.19
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C#N)C=C2)C(=O)[O-])C=C1	REAL300012032351	0	50	0.0	-72.01	414.52	11.49	-60.52
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(SC)C=C2)C(=O)[O-])C=C1	REAL300012032352	0	53	0.0	-66.39	434.02	12.11	-54.28
COC1=CC=C(CC(CCC[NH2+]CC2=C(Cl)C=CC=C2Cl)C(=O)[O-])C=C1	REAL300012032353	0	49	0.0	-57.45	421.74	11.90	-45.55
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C)=C2)C(=O)[O-])C=C1	REAL300012032354	0	52	0.0	-61.87	415.07	11.76	-50.11
COC1=CC=C(CC(CCC[NH2+]CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012032355	0	46	0.0	-63.66	383.61	10.03	-53.63
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COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)S2)C(=O)[O-])C=C1	REAL300012032360	0	49	0.0	-60.29	405.78	11.00	-49.29
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC)C(O)=C2)C(=O)[O-])C=C1	REAL300012032361	0	54	0.0	-62.73	425.83	7.96	-54.77
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)N(C)N=C2C)C(=O)[O-])C=C1	REAL300012032362	0	55	0.0	-64.74	434.53	9.83	-54.91
COC1=CC=C(CC(CCC[NH2+]CC2=C(Cl)N(C)N=C2C)C(=O)[O-])C=C1	REAL300012032363	0	52	0.0	-63.58	431.83	9.73	-53.85
CCC1=NN(C)C=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032364	0	55	0.0	-77.18	431.81	10.19	-66.99
COC1=CC=C(CC(CCC[NH2+]CC2=CN(CC(F)(F)F)N=C2)C(=O)[O-])C=C1	REAL300012032365	0	52	0.0	-65.83	427.79	9.99	-55.84
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C)N=C2C(C)(C)C)C(=O)[O-])C=C1	REAL300012032366	0	61	0.0	-65.02	463.78	11.30	-53.72
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COC1=CC=C(CC(CCC[NH2+]CC2=CC=CO2)C(=O)[O-])C=C1	REAL300012032368	0	46	0.0	-64.62	374.37	9.22	-55.40
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300012032369	0	48	0.0	-67.27	388.54	9.32	-57.95
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C#CCOC1=CC=CC=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032371	0	55	0.0	-55.38	441.30	11.66	-43.72
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)ON=C2C)C(=O)[O-])C=C1	REAL300012032372	0	51	0.0	-69.03	410.75	9.87	-59.16
COC1=CC=C(CC(CCC[NH2+]CC2=CSC(C)=N2)C(=O)[O-])C=C1	REAL300012032373	0	48	0.0	-59.68	400.23	8.81	-50.87
COC1=CC=C(CC(CCC[NH2+]CC2=NN(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1	REAL300012032374	0	55	0.0	-60.88	440.00	10.61	-50.27
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COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC)C(C)=C2)C(=O)[O-])C=C1	REAL300012032376	0	56	0.0	-58.97	435.15	10.87	-48.10
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COC1=CC=C(CC(CCC[NH2+]CC2=CC(OC)=CC=C2F)C(=O)[O-])C=C1	REAL300012032382	0	53	0.0	-60.21	427.66	10.43	-49.78
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(SC)S2)C(=O)[O-])C=C1	REAL300012032383	0	50	0.0	-62.92	427.19	11.42	-51.50
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC3=C2OCO3)C(=O)[O-])C=C1	REAL300012032384	0	52	0.0	-75.38	418.14	9.68	-65.70
COC1=CC=C(CC(CCC[NH2+]CC2=CN=CN=C2)C(=O)[O-])C=C1	REAL300012032385	0	47	0.0	-70.83	383.26	9.09	-61.74
COC1=CC=C(CC(CCC[NH2+]CC2=C(Cl)C=CS2)C(=O)[O-])C=C1	REAL300012032386	0	46	0.0	-59.39	399.14	10.63	-48.76
COC1=CC=C(CC(CCC[NH2+]CC2=CC(F)=CC=C2OC)C(=O)[O-])C=C1	REAL300012032387	0	53	0.0	-55.78	420.12	10.26	-45.52
COC1=CC=C(CC(CCC[NH2+]CC2=NNC=C2)C(=O)[O-])C=C1	REAL300012032388	0	46	0.0	-74.14	372.03	7.43	-66.71
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C(N)=O)C=C2)C(=O)[O-])C=C1	REAL300012032389	0	53	0.0	-74.28	428.21	7.88	-66.40
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(F)C(OC)=C2)C(=O)[O-])C=C1	REAL300012032390	0	53	0.0	-64.70	421.30	10.19	-54.51
COC1=CC=C(CC(CCC[NH2+]CC2=CC(Cl)=CC=C2OC)C(=O)[O-])C=C1	REAL300012032391	0	53	0.0	-54.98	430.44	10.70	-44.28
COC1=CC=C(CC(CCC[NH2+]CC2=CN=CS2)C(=O)[O-])C=C1	REAL300012032392	0	45	0.0	-76.87	376.88	8.28	-68.59
COC1=CC=C(CC(CCC[NH2+]CC2=CN=CN2C)C(=O)[O-])C=C1	REAL300012032393	0	49	0.0	-79.49	392.27	10.16	-69.33
COC(=O)C1=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=CN1C	REAL300012032394	0	56	0.0	-72.46	453.04	11.28	-61.18
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)C(Cl)=C2)C(=O)[O-])C=C1	REAL300012032395	0	52	0.0	-63.82	429.13	12.19	-51.63
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)C(OC)=C2)C(=O)[O-])C=C1	REAL300012032396	0	56	0.0	-58.64	435.15	10.87	-47.77
COC1=CC=C(CC(CCC[NH2+]CC2=CSC=N2)C(=O)[O-])C=C1	REAL300012032397	0	45	0.0	-59.84	378.28	8.10	-51.74
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C)=C2F)C(=O)[O-])C=C1	REAL300012032398	0	52	0.0	-56.86	411.46	11.50	-45.36
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C#N)C=C2F)C(=O)[O-])C=C1	REAL300012032399	0	50	0.0	-72.13	420.06	11.51	-60.62
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)NN=C2C)C(=O)[O-])C=C1	REAL300012032400	0	52	0.0	-60.01	406.05	8.36	-51.65
COC1=CC=C(CC(CCC[NH2+]CC2=CNN=C2C)C(=O)[O-])C=C1	REAL300012032401	0	49	0.0	-78.38	391.63	8.11	-70.27
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)NN=C2)C(=O)[O-])C=C1	REAL300012032401	1	49	0.0	-77.57	391.14	8.09	-69.48
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NN2C)C(=O)[O-])C=C1	REAL300012032402	0	49	0.0	-69.51	394.25	8.65	-60.86
C#CCCOC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1	REAL300012032403	0	58	0.0	-59.63	464.22	12.37	-47.26
COC1=CC=C(CC(CCC[NH2+]CC2=CN3C=CC=CC3=N2)C(=O)[O-])C=C1	REAL300012032404	0	52	0.0	-56.73	412.55	11.34	-45.39
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C3C(=C2)C(C)=NN3C)C(=O)[O-])C=C1	REAL300012032405	0	57	0.0	-75.03	459.94	10.82	-64.21
COC1=CC=C(CC(CCC[NH2+]CC2=CSC(C3CC3)=N2)C(=O)[O-])C=C1	REAL300012032406	0	52	0.0	-64.41	430.08	10.31	-54.10
CCC1=NC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=CS1	REAL300012032407	0	51	0.0	-63.67	422.17	9.58	-54.09
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C)N=C2C)C(=O)[O-])C=C1	REAL300012032408	0	52	0.0	-67.12	416.85	9.42	-57.70
CCN1C=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=N1	REAL300012032409	0	52	0.0	-60.72	409.92	9.49	-51.23
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C)N=N2)C(=O)[O-])C=C1	REAL300012032410	0	48	0.0	-66.08	390.48	7.60	-58.48
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C(N)=O)=C2)C(=O)[O-])C=C1	REAL300012032411	0	53	0.0	-64.93	420.12	7.60	-57.33
COC1=CC=C(CC(CCC[NH2+]CC2=NN(C)C=C2)C(=O)[O-])C=C1	REAL300012032412	0	49	0.0	-64.96	396.50	8.80	-56.16
COC1=CC=C(CC(CCC[NH2+]CC2=NC=CN2CC(F)(F)F)C(=O)[O-])C=C1	REAL300012032413	0	52	0.0	-58.27	422.77	10.31	-47.96
COC1=CC=C(CC(CCC[NH2+]CC2CCCCCCC2)C(=O)[O-])C=C1	REAL300012032414	0	61	0.0	-55.26	428.24	11.99	-43.27
COC1=CC=C(CC(CCC[NH2+]CC2=NC(C)=CS2)C(=O)[O-])C=C1	REAL300012032415	0	48	0.0	-74.15	398.71	8.76	-65.39
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(OC)=C2F)C(=O)[O-])C=C1	REAL300012032416	0	53	0.0	-60.44	420.45	10.16	-50.28
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3CCCC3=C2)C(=O)[O-])C=C1	REAL300012032417	0	56	0.0	-62.37	439.21	13.00	-49.37
COC1=CC=C(CC(CCC[NH2+]CC2=COC=N2)C(=O)[O-])C=C1	REAL300012032418	0	45	0.0	-62.17	369.08	5.70	-56.47
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC=C2OCC(C)C)C(=O)[O-])C=C1	REAL300012032419	0	62	0.0	-53.61	477.12	12.61	-41.00
CCN1N=CC=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032420	0	52	0.0	-68.23	411.33	9.60	-58.63
COC1=CC=C(CC(CCC[NH2+]CC2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1	REAL300012032421	0	55	0.0	-73.60	440.65	10.77	-62.83
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC=NC=C3C=C2)C(=O)[O-])C=C1	REAL300012032422	0	54	0.0	-82.38	433.13	11.51	-70.87
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)N=CS2)C(=O)[O-])C=C1	REAL300012032423	0	48	0.0	-58.26	389.09	8.56	-49.70
COC1=CC=C(CC(CCC[NH2+]CC2=CC(F)=CC(OC)=C2)C(=O)[O-])C=C1	REAL300012032424	0	53	0.0	-67.84	429.54	10.45	-57.39
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])C=C1	REAL300012032425	0	59	0.0	-81.35	463.75	10.98	-70.37
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)SC=C2)C(=O)[O-])C=C1	REAL300012032426	0	49	0.0	-55.42	392.81	10.55	-44.87
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(S(C)=O)C=C2)C(=O)[O-])C=C1	REAL300012032427	0	54	0.0	-71.19	437.78	9.42	-61.77
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3CCCCC3=C2)C(=O)[O-])C=C1	REAL300012032428	0	59	0.0	-61.91	456.37	13.58	-48.33
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C#N)=N2)C(=O)[O-])C=C1	REAL300012032429	0	49	0.0	-75.51	409.58	9.56	-65.95
COC(=O)C1=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=CN1	REAL300012032430	0	53	0.0	-71.25	435.33	9.53	-61.72
COCC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])O1	REAL300012032431	0	53	0.0	-57.98	421.90	8.85	-49.13
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(F)N=C2C)C(=O)[O-])C=C1	REAL300012032432	0	51	0.0	-72.28	409.97	9.83	-62.45
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)C=C2OC)C(=O)[O-])C=C1	REAL300012032433	0	56	0.0	-54.00	435.13	10.85	-43.15
COC1=CC=C(CC(CCC[NH2+]CC2=CSC(C)=C2)C(=O)[O-])C=C1	REAL300012032434	0	49	0.0	-74.62	403.99	10.78	-63.84
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)N=N2)C(=O)[O-])C=C1	REAL300012032435	0	50	0.0	-79.37	403.64	8.74	-70.63
COC1=CC=C(CC(CCC[NH2+]CC2=CN=NN2C)C(=O)[O-])C=C1	REAL300012032436	0	48	0.0	-70.80	386.93	7.37	-63.43
COC1=CC=C(CC(CCC[NH2+]CC2=CC(Cl)=CS2)C(=O)[O-])C=C1	REAL300012032437	0	46	0.0	-76.34	399.23	10.64	-65.70
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C3CCCC3)C=C2)C(=O)[O-])C=C1	REAL300012032438	0	62	0.0	-56.15	469.12	14.01	-42.14
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)C=NN2C)C(=O)[O-])C=C1	REAL300012032439	0	52	0.0	-67.56	414.58	9.27	-58.29
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C)=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300012032440	0	52	0.0	-66.90	431.77	12.25	-54.65
COCC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1	REAL300012032441	0	56	0.0	-64.33	448.74	10.83	-53.50
COC1=CC=C(CC(CCC[NH2+]CC2=NC=CN2C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012032442	0	56	0.0	-61.12	451.15	12.75	-48.37
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C3CC3)C=C2)C(=O)[O-])C=C1	REAL300012032443	0	56	0.0	-73.05	441.36	13.13	-59.92
COC1=CC=C(CC(CCC[NH2+]CC2=NC=C(Cl)S2)C(=O)[O-])C=C1	REAL300012032444	0	45	0.0	-64.48	395.47	8.85	-55.63
C=CN1C=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=N1	REAL300012032445	0	50	0.0	-60.99	400.17	9.83	-51.16
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NN2C2CCCC2)C(=O)[O-])C=C1	REAL300012032446	0	59	0.0	-80.65	458.28	11.53	-69.12
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C(F)F)C=C2)C(=O)[O-])C=C1	REAL300012032447	0	52	0.0	-66.48	425.84	11.96	-54.52
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)C=C(OC)N=C2C)C(=O)[O-])C=C1	REAL300012032448	0	58	0.0	-67.15	454.52	8.85	-58.30
COC1=CC=C(CC(CCC[NH2+]CC2=C(Cl)C=CC=C2OC)C(=O)[O-])C=C1	REAL300012032449	0	53	0.0	-67.74	434.35	10.80	-56.94
CCC1=CC(OC)=CC=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032450	0	59	0.0	-64.15	456.63	11.68	-52.47
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)N(C)N=C2)C(=O)[O-])C=C1	REAL300012032451	0	52	0.0	-77.61	412.65	9.23	-68.38
CCCN1N=C(C)C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1C	REAL300012032452	0	61	0.0	-60.07	470.78	11.22	-48.85
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C(C3CC3)N=C2)C(=O)[O-])C=C1	REAL300012032453	0	54	0.0	-66.59	434.18	10.65	-55.94
COCCN1C=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=N1	REAL300012032454	0	56	0.0	-60.29	443.59	8.54	-51.75
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C3CCC3)C=C2)C(=O)[O-])C=C1	REAL300012032455	0	59	0.0	-56.22	451.33	13.41	-42.81
CCOC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1F	REAL300012032456	0	56	0.0	-70.71	451.25	11.39	-59.32
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C#N)=CS2)C(=O)[O-])C=C1	REAL300012032457	0	47	0.0	-71.17	404.90	10.61	-60.56
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C#N)C(OC)=C2)C(=O)[O-])C=C1	REAL300012032458	0	54	0.0	-69.96	435.28	10.53	-59.43
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C#N)C(C)=C2)C(=O)[O-])C=C1	REAL300012032459	0	53	0.0	-66.28	425.58	11.72	-54.56
COC1=CC=C(CC(CCC[NH2+]CC2=NC=C(C)S2)C(=O)[O-])C=C1	REAL300012032460	0	48	0.0	-73.72	398.83	8.97	-64.75
COC1=CC=C(CC(CCC[NH2+]CC2=CN(CC(C)C)N=C2)C(=O)[O-])C=C1	REAL300012032461	0	58	0.0	-60.25	451.23	11.03	-49.22
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC=C2C2CC2)C(=O)[O-])C=C1	REAL300012032462	0	56	0.0	-62.30	436.61	13.09	-49.21
CCC1=CN=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])S1	REAL300012032463	0	51	0.0	-61.90	421.81	9.81	-52.09
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C(C)C)N=C2C)C(=O)[O-])C=C1	REAL300012032464	0	58	0.0	-66.35	457.04	10.80	-55.55
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C(C3CC3)S2)C(=O)[O-])C=C1	REAL300012032465	0	52	0.0	-64.35	431.58	10.73	-53.62
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C(C(C)C)S2)C(=O)[O-])C=C1	REAL300012032466	0	54	0.0	-76.15	441.10	10.35	-65.80
COC1=CC=C(CC(CCC[NH2+]CC2=CN(CC(F)F)N=C2)C(=O)[O-])C=C1	REAL300012032467	0	52	0.0	-62.25	422.91	9.78	-52.47
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C(=O)N(C)C)N2)C(=O)[O-])C=C1	REAL300012032468	0	57	0.0	-75.05	451.30	9.25	-65.80
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C(N)=O)=CS2)C(=O)[O-])C=C1	REAL300012032469	0	50	0.0	-68.92	419.97	6.95	-61.97
CCC1=NN(C)C(CC)=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032470	0	61	0.0	-59.76	470.45	11.05	-48.71
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C(C3CCC3)S2)C(=O)[O-])C=C1	REAL300012032471	0	55	0.0	-57.97	440.13	10.94	-47.03
CCC1=CC=CC(F)=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032472	0	55	0.0	-58.85	434.56	12.34	-46.51
COC1=CC=C(CC(CCC[NH2+]CC2=NN(C(F)F)C=C2)C(=O)[O-])C=C1	REAL300012032473	0	49	0.0	-77.35	408.36	8.93	-68.42
COC1=CC=C(CC(CCC[NH2+]CC2=NC=C(C(C)C)S2)C(=O)[O-])C=C1	REAL300012032474	0	54	0.0	-73.38	440.69	10.38	-63.00
COC1=CC=C(CC(CCC[NH2+]CC2=NC=C(C(C)(C)C)S2)C(=O)[O-])C=C1	REAL300012032475	0	57	0.0	-73.25	458.46	10.82	-62.43
COC1=CC=C(CC(CCC[NH2+]CC2=C(C3CC3)N=CS2)C(=O)[O-])C=C1	REAL300012032476	0	52	0.0	-64.07	428.46	10.51	-53.56
COCCCN1N=CC=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032477	0	59	0.0	-71.21	466.51	9.43	-61.78
COC1=CC=C(CC(CCC[NH2+]CC2=C(F)C=C(C)C=C2Cl)C(=O)[O-])C=C1	REAL300012032478	0	52	0.0	-68.86	432.89	12.12	-56.74
COC1=CC=C(CC(CCC[NH2+]CC2=NC=C(CSC)S2)C(=O)[O-])C=C1	REAL300012032479	0	52	0.0	-75.85	443.55	10.19	-65.66
CCN1N=C(C)C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=N1	REAL300012032480	0	54	0.0	-60.56	424.72	8.41	-52.15
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C3CC3)=C2)C(=O)[O-])C=C1	REAL300012032481	0	56	0.0	-56.44	434.79	12.92	-43.52
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C)=NN2C)C(=O)[O-])C=C1	REAL300012032482	0	52	0.0	-80.86	414.68	9.18	-71.68
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C#N)C(F)=C2)C(=O)[O-])C=C1	REAL300012032483	0	50	0.0	-71.33	412.33	11.26	-60.07
COC1=CC=C(CC(CCC[NH2+]CC2=C(F)C=C(C)C=C2F)C(=O)[O-])C=C1	REAL300012032484	0	52	0.0	-59.19	425.83	11.81	-47.38
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NN2CC(C)C)C(=O)[O-])C=C1	REAL300012032485	0	58	0.0	-80.29	454.59	11.01	-69.28
COC(=O)C1=C(C)C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=CN1	REAL300012032486	0	56	0.0	-69.35	451.20	10.10	-59.25
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C(C)(C)C#N)C=C2)C(=O)[O-])C=C1	REAL300012032487	0	59	0.0	-68.32	470.29	13.05	-55.27
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC=C2C(C)C)C(=O)[O-])C=C1	REAL300012032488	0	58	0.0	-55.04	439.48	12.62	-42.42
COC1=CC=C(CC(CCC[NH2+]CC2=NN3CCCCC3=C2)C(=O)[O-])C=C1	REAL300012032489	0	56	0.0	-54.57	430.17	10.16	-44.41
COC1=CC=C(CC(CCC[NH2+]CC2=CN=NN2C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012032490	0	55	0.0	-71.07	443.99	10.73	-60.34
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CN=CC=C3O2)C(=O)[O-])C=C1	REAL300012032491	0	51	0.0	-68.19	416.28	9.89	-58.30
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)C=C2Cl)C(=O)[O-])C=C1	REAL300012032492	0	52	0.0	-51.82	418.79	11.97	-39.85
CCC1=CC=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1	REAL300012032493	0	55	0.0	-61.91	436.56	12.53	-49.38
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC)C=C2F)C(=O)[O-])C=C1	REAL300012032494	0	53	0.0	-60.13	420.63	10.14	-49.99
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC3=C2CCC3)C(=O)[O-])C=C1	REAL300012032495	0	56	0.0	-63.48	437.94	12.92	-50.56
COC1=CC=C(CC(CCC[NH2+]CC2=C(F)C=CC=C2OC)C(=O)[O-])C=C1	REAL300012032496	0	53	0.0	-58.81	427.11	10.47	-48.34
CCCOC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C(C)=C1	REAL300012032497	0	62	0.0	-64.02	481.29	12.75	-51.27
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC=NC=C3S2)C(=O)[O-])C=C1	REAL300012032498	0	51	0.0	-67.31	425.79	10.85	-56.46
COC1=CC=C(CC(CCC[NH2+]CC2=C3CCCN3N=C2)C(=O)[O-])C=C1	REAL300012032499	0	53	0.0	-64.56	420.14	9.69	-54.87
CCC1=C2OC(C[NH2+]CCCC(CC3=CC=C(OC)C=C3)C(=O)[O-])=CC2=CC=C1	REAL300012032500	0	58	0.0	-64.70	464.45	13.05	-51.65
C=CCCN1C=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])N=N1	REAL300012032501	0	55	0.0	-65.42	446.20	9.76	-55.66
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NN2CC2CC2)C(=O)[O-])C=C1	REAL300012032502	0	56	0.0	-60.48	435.02	10.88	-49.60
CCOC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C(C)=C1	REAL300012032503	0	59	0.0	-58.37	451.75	11.67	-46.70
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CN=C2OC)C(=O)[O-])C=C1	REAL300012032504	0	52	0.0	-73.92	417.90	7.80	-66.12
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C3CCCC3)=C2)C(=O)[O-])C=C1	REAL300012032505	0	62	0.0	-63.37	477.85	14.29	-49.08
COCC1=CSC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1	REAL300012032506	0	53	0.0	-62.23	439.19	9.93	-52.30
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C3CCC3)N=N2)C(=O)[O-])C=C1	REAL300012032507	0	55	0.0	-79.02	434.31	9.50	-69.52
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C(F)(F)F)O2)C(=O)[O-])C=C1	REAL300012032508	0	49	0.0	-66.35	415.59	10.46	-55.89
COC1=CC=C(CC(CCC[NH2+]CC2=C(F)C=CC(F)=C2Cl)C(=O)[O-])C=C1	REAL300012032509	0	49	0.0	-58.78	418.88	11.57	-47.21
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(F)C(F)=C2F)C(=O)[O-])C=C1	REAL300012032510	0	49	0.0	-62.11	402.69	10.99	-51.12
CCCN1N=CC=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032511	0	55	0.0	-68.19	432.83	10.35	-57.84
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C(F)(F)F)=NN2C)C(=O)[O-])C=C1	REAL300012032512	0	52	0.0	-74.45	435.62	9.64	-64.81
CCCC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])S1	REAL300012032513	0	55	0.0	-60.20	448.76	12.56	-47.64
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C(C)C)=C2)C(=O)[O-])C=C1	REAL300012032514	0	58	0.0	-61.83	453.89	13.01	-48.82
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C)N=C2Cl)C(=O)[O-])C=C1	REAL300012032515	0	49	0.0	-77.11	411.54	9.25	-67.86
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(CC3CCC3)=C2)C(=O)[O-])C=C1	REAL300012032516	0	62	0.0	-55.76	476.63	14.33	-41.43
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(Cl)C(OC)=C2)C(=O)[O-])C=C1	REAL300012032517	0	53	0.0	-68.90	439.20	10.94	-57.96
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NN2CC2CCC2)C(=O)[O-])C=C1	REAL300012032518	0	59	0.0	-80.58	462.82	11.58	-69.00
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)C=C2F)C(=O)[O-])C=C1	REAL300012032519	0	52	0.0	-59.04	419.55	11.82	-47.22
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(NC(C)=O)=C2)C(=O)[O-])C=C1	REAL300012032520	0	56	0.0	-70.81	449.49	10.00	-60.81
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C3C(=C2)C=NN3C)C(=O)[O-])C=C1	REAL300012032521	0	54	0.0	-68.24	429.88	9.95	-58.29
COC1=CC=C(CC(CCC[NH2+]CC2=C3CCCCC3=NN2C)C(=O)[O-])C=C1	REAL300012032522	0	59	0.0	-62.38	449.77	10.82	-51.56
COC1=CC=C(CC(CCC[NH2+]CC2=CSC(C)=C2C)C(=O)[O-])C=C1	REAL300012032523	0	52	0.0	-61.38	420.25	11.43	-49.95
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C(Cl)C(F)=C2)C(=O)[O-])C=C1	REAL300012032524	0	48	0.0	-67.74	403.17	9.51	-58.23
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(F)C3=CC=CC=C23)C(=O)[O-])C=C1	REAL300012032525	0	55	0.0	-81.23	438.65	13.20	-68.03
CCOC1=CC(F)=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1	REAL300012032526	0	56	0.0	-67.93	451.40	11.38	-56.55
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C(=O)[O-])C=C1	REAL300012032527	0	62	0.0	-73.37	472.29	12.17	-61.20
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(Cl)=C2C)C(=O)[O-])C=C1	REAL300012032528	0	52	0.0	-59.06	415.03	11.82	-47.24
COC1=CC=C(CC(CCC[NH2+]CC2=CC(OC)=C(C)C=C2F)C(=O)[O-])C=C1	REAL300012032529	0	56	0.0	-55.04	439.66	10.91	-44.13
COC1=CC=C(CC(CCC[NH2+]CC2=NC(C(C)(C)C)=CS2)C(=O)[O-])C=C1	REAL300012032530	0	57	0.0	-73.83	457.70	10.75	-63.08
COCCC1=NC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])S1	REAL300012032531	0	55	0.0	-78.48	453.98	8.81	-69.67
COC1=CC=C(CC(CCC[NH2+]CC2=CC(F)=CC(F)=C2O)C(=O)[O-])C=C1	REAL300012032532	1	50	0.0	-62.95	407.85	8.17	-54.78
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC3=C2CCOC3)C(=O)[O-])C=C1	REAL300012032533	0	57	0.0	-58.48	432.41	10.79	-47.69
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3OC(=O)OC3=C2)C(=O)[O-])C=C1	REAL300012032534	0	51	0.0	-80.23	421.39	11.63	-68.60
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])C=C1	REAL300012032535	0	54	0.0	-63.47	421.68	11.08	-52.39
CCCOC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1C	REAL300012032536	0	62	0.0	-64.24	486.60	12.86	-51.38
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=NC=CN=C3C=C2)C(=O)[O-])C=C1	REAL300012032537	0	53	0.0	-64.32	421.62	9.24	-55.08
CCOC1=CC=CC(F)=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032538	0	56	0.0	-68.34	447.46	11.34	-57.00
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)C(=O)[O-])C=C1	REAL300012032539	0	54	0.0	-70.20	424.06	11.88	-58.32
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C)=CO2)C(=O)[O-])C=C1	REAL300012032540	0	49	0.0	-72.69	394.79	9.85	-62.84
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012032541	0	48	0.0	-67.58	405.35	9.76	-57.82
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)C=C(C#N)C=C2C)C(=O)[O-])C=C1	REAL300012032542	0	56	0.0	-71.03	447.55	12.53	-58.50
COC1=CC=C(CC(CCC[NH2+]CC2=NC=C(C)O2)C(=O)[O-])C=C1	REAL300012032543	0	48	0.0	-64.97	391.04	6.64	-58.33
COC1=CC=C(CC(CCC[NH2+]CC2=CN(CCF)N=C2)C(=O)[O-])C=C1	REAL300012032544	0	52	0.0	-61.88	416.51	9.63	-52.25
COC1=CC=C(CC(CCC[NH2+]CC2=NC(C(C)(C)C)=CO2)C(=O)[O-])C=C1	REAL300012032545	0	57	0.0	-64.82	451.18	8.46	-56.36
CCCC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1	REAL300012032546	0	58	0.0	-63.37	458.02	13.31	-50.06
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=C(C)NN=C3N=C2)C(=O)[O-])C=C1	REAL300012032547	0	54	0.0	-76.11	436.73	9.62	-66.49
COC1=CC=C(CC(CCC[NH2+]CC2=NC=CS2)C(=O)[O-])C=C1	REAL300012032548	0	45	0.0	-62.32	378.41	8.23	-54.09
COC1=CC=C(CC(CCC[NH2+]CC2=NN(C)C3=CC=CC=C23)C(=O)[O-])C=C1	REAL300012032549	0	55	0.0	-60.17	435.52	10.74	-49.43
COC1=CC=C(CC(CCC[NH2+]CC2=C3C=CC=CC3=NN2)C(=O)[O-])C=C1	REAL300012032550	0	52	0.0	-85.66	419.01	9.64	-76.02
COC1=CC=C(CC(CCC[NH2+]CC2=NNC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300012032550	1	52	0.0	-57.55	412.66	9.45	-48.10
CCC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])S1	REAL300012032551	0	52	0.0	-73.31	425.72	11.71	-61.60
COC1=CC=C(CC(CCC[NH2+]CC2=NC=CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300012032552	0	54	0.0	-66.52	431.36	11.37	-55.15
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)N=C3C=CC=CN32)C(=O)[O-])C=C1	REAL300012032553	0	55	0.0	-63.09	432.96	11.81	-51.28
CCC1=NC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])S1	REAL300012032554	0	51	0.0	-65.59	421.82	9.80	-55.79
COC1=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])SC=C1	REAL300012032555	0	50	0.0	-69.49	412.26	9.45	-60.04
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C(=O)[O-])C=C1	REAL300012032556	0	55	0.0	-71.76	449.81	9.33	-62.43
COC1=CC=C(CC(CCC[NH2+]CC2=CSC=C2Cl)C(=O)[O-])C=C1	REAL300012032557	0	46	0.0	-59.83	398.27	10.49	-49.34
CCCC(C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012032558	0	61	0.0	-64.57	470.67	13.81	-50.76
COC1=CC=C(CC(CCC[NH2+]CC2CC3CCC2C3)C(=O)[O-])C=C1	REAL300012032559	0	56	0.0	-55.39	410.22	11.46	-43.93
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(F)N=C2)C(=O)[O-])C=C1	REAL300012032560	0	48	0.0	-65.12	386.83	8.98	-56.14
COC1=CC=C(CC(CCC[NH2+]CC2(C)CCC2)C(=O)[O-])C=C1	REAL300012032561	0	52	0.0	-60.48	397.49	10.75	-49.73
COC1=CC=C(CC(CCC[NH2+]CC2(C)CC2)C(=O)[O-])C=C1	REAL300012032562	0	49	0.0	-53.01	374.01	10.17	-42.84
COC1=CC=C(CC(CCC[NH2+]CC2(C(F)F)CC2)C(=O)[O-])C=C1	REAL300012032563	0	49	0.0	-51.88	386.80	10.21	-41.67
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)C=NN2)C(=O)[O-])C=C1	REAL300012032564	0	49	0.0	-79.64	391.18	8.06	-71.58
COC1=CC=C(CC(CCC[NH2+]CC2=NNC=C2C)C(=O)[O-])C=C1	REAL300012032564	1	49	0.0	-62.82	393.44	8.09	-54.73
COC1=CC=C(CC(CCC[NH2+]CC2=NC=C(C)N2C)C(=O)[O-])C=C1	REAL300012032565	0	52	0.0	-64.44	414.03	9.95	-54.49
COC1=CC=C(CC(CCC[NH2+]CC2CCC(C(C)C)CC2)C(=O)[O-])C=C1	REAL300012032566	0	64	0.0	-54.17	455.46	12.62	-41.55
CCC1=NOC=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032567	0	51	0.0	-68.45	407.44	9.90	-58.55
COC1=CC=C(CC(CCC[NH2+]CC2=C(Cl)N(C)N=C2)C(=O)[O-])C=C1	REAL300012032568	0	49	0.0	-63.58	412.26	9.22	-54.36
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC=CN=C3O2)C(=O)[O-])C=C1	REAL300012032569	0	51	0.0	-62.53	408.22	8.30	-54.23
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NC=C2C)C(=O)[O-])C=C1	REAL300012032570	0	51	0.0	-60.17	395.73	9.66	-50.51
COC1=CC=C(CC(CCC[NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012032571	0	56	0.0	-59.80	441.43	13.12	-46.68
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NN2C2=CC=CC=N2)C(=O)[O-])C=C1	REAL300012032572	0	55	0.0	-55.88	437.76	11.52	-44.36
COC1=CC=C(CC(CCC[NH2+]CC2=NN(C(C)(C)C)N=N2)C(=O)[O-])C=C1	REAL300012032573	1	56	0.0	-64.79	446.99	8.89	-55.90
COC1=CC=C(CC(CCC[NH2+]CC2=NC=CN2C(C)C)C(=O)[O-])C=C1	REAL300012032574	0	55	0.0	-55.82	426.43	10.64	-45.18
COC1=CC=C(CC(CCC[NH2+]CC2=C(C(F)(F)F)C=NN2C)C(=O)[O-])C=C1	REAL300012032575	0	52	0.0	-59.02	423.20	9.42	-49.60
COC1=CC=C(CC(CCC[NH2+]CC2=C(C3CC3)C=NN2C)C(=O)[O-])C=C1	REAL300012032576	0	56	0.0	-69.79	444.35	10.73	-59.06
COC1=CC=C(CC(CCC[NH2+]CC2=C(C3CCC3)C=NN2C)C(=O)[O-])C=C1	REAL300012032577	0	59	0.0	-80.84	459.22	11.17	-69.67
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C(C)N2C)C(=O)[O-])C=C1	REAL300012032578	0	52	0.0	-79.63	412.66	9.98	-69.65
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=C(C)C=CC=C3N2)C(=O)[O-])C=C1	REAL300012032579	0	56	0.0	-79.63	444.97	11.61	-68.02
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NN2C2=CC=NC=C2)C(=O)[O-])C=C1	REAL300012032580	0	55	0.0	-72.66	444.85	10.23	-62.43
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC=C(C)C=C3N2)C(=O)[O-])C=C1	REAL300012032581	0	56	0.0	-68.72	446.89	11.68	-57.04
COC1=CC=C(CC(CCC[NH2+]CC2=NC=CN=C2C)C(=O)[O-])C=C1	REAL300012032582	0	50	0.0	-65.80	400.64	7.90	-57.90
CCOC1=CN=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1	REAL300012032583	0	55	0.0	-79.40	438.41	9.43	-69.97
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NC=C2Cl)C(=O)[O-])C=C1	REAL300012032584	0	48	0.0	-56.49	392.78	9.54	-46.95
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC3=NNC=C32)C(=O)[O-])C=C1	REAL300012032585	0	52	0.0	-84.73	418.25	9.72	-75.01
CCC(F)(F)C(C)(C)C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032586	0	57	0.0	-61.15	433.31	11.46	-49.69
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NC(F)=C2)C(=O)[O-])C=C1	REAL300012032587	0	48	0.0	-66.95	386.88	9.00	-57.95
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])C=C1	REAL300012032588	0	53	0.0	-67.16	425.00	11.11	-56.05
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=C(C=CNC3=O)O2)C(=O)[O-])C=C1	REAL300012032589	0	52	0.0	-68.21	418.18	8.31	-59.90
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C(F)F)N=C2)C(=O)[O-])C=C1	REAL300012032590	0	51	0.0	-70.10	423.09	10.18	-59.92
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C#N)=CC=C2N(C)C)C(=O)[O-])C=C1	REAL300012032591	0	58	0.0	-64.95	466.80	11.51	-53.44
COC1=CC=C(CC(CCC[NH2+]CC2=CN=CC(OC)=C2C)C(=O)[O-])C=C1	REAL300012032592	0	55	0.0	-60.56	424.82	8.94	-51.62
COC1=CC=C(CC(CCC[NH2+]CC=CC2=C(C)C=C(C)C=C2C)C(=O)[O-])C=C1	REAL300012032593	0	62	0.0	-65.87	483.69	14.22	-51.65
CCCN1C=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])N=N1	REAL300012032594	0	54	0.0	-59.68	425.30	8.93	-50.75
COC1=CC=C(CC(CCC[NH2+]CC2=CC(F)=CC=C2N(C)C)C(=O)[O-])C=C1	REAL300012032595	0	57	0.0	-54.52	443.19	10.92	-43.60
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C3CC3)C=N2)C(=O)[O-])C=C1	REAL300012032596	0	53	0.0	-72.83	423.49	11.68	-61.15
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C(=O)[O-])C=C1	REAL300012032597	0	54	0.0	-76.29	441.09	11.53	-64.76
COC1=CC=C(CC(CCC[NH2+]CC=CC2=CC(C)=C(C)C=C2C)C(=O)[O-])C=C1	REAL300012032598	0	62	0.0	-65.05	480.54	14.11	-50.94
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C)=NS2)C(=O)[O-])C=C1	REAL300012032599	0	48	0.0	-60.02	392.13	9.24	-50.78
CCN1N=CN=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032600	0	51	0.0	-61.04	398.96	9.99	-51.05
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C(C3CC3)O2)C(=O)[O-])C=C1	REAL300012032601	0	52	0.0	-59.64	414.29	8.13	-51.51
CCC1=CNC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=N1	REAL300012032602	0	52	0.0	-63.82	416.44	9.16	-54.66
COC1=CC=C(CC(CCC[NH2+]CC2=NC=CC3=C2CCCC3)C(=O)[O-])C=C1	REAL300012032603	0	58	0.0	-73.22	445.08	11.53	-61.69
COC1=CC=C(CC(CCC[NH2+]CC2=C(Cl)C(C)=NN2C)C(=O)[O-])C=C1	REAL300012032604	0	52	0.0	-76.97	431.36	9.69	-67.28
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C)N=C2C2CCCC2)C(=O)[O-])C=C1	REAL300012032605	0	62	0.0	-78.90	480.45	11.93	-66.97
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3OCCCC3=C2)C(=O)[O-])C=C1	REAL300012032606	0	57	0.0	-66.91	447.33	11.71	-55.20
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C(=O)N(C)C)=C2)C(=O)[O-])C=C1	REAL300012032607	0	59	0.0	-71.96	465.84	10.94	-61.02
CCC1=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C(Cl)=NN1	REAL300012032608	0	52	0.0	-55.86	423.65	8.95	-46.91
COC1=CC=C(CC(CCC[NH2+]CC2=C(C3CC3)NN=C2Cl)C(=O)[O-])C=C1	REAL300012032609	0	53	0.0	-62.46	439.99	10.03	-52.43
CCC1=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C(C)=NO1	REAL300012032610	0	54	0.0	-79.79	426.82	10.61	-69.18
CCN1C=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])N=N1	REAL300012032611	0	51	0.0	-59.84	403.80	8.17	-51.67
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C)=NC3=C2CCCC3)C(=O)[O-])C=C1	REAL300012032612	0	61	0.0	-67.17	466.27	12.28	-54.89
CCOC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])O1	REAL300012032613	0	53	0.0	-64.32	429.28	10.60	-53.72
CCN1C=NC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1	REAL300012032614	0	52	0.0	-59.38	417.55	11.27	-48.11
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C(F)C(C)=C2)C(=O)[O-])C=C1	REAL300012032615	0	51	0.0	-84.84	413.76	9.81	-75.03
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C(F)C=C2C)C(=O)[O-])C=C1	REAL300012032616	0	51	0.0	-83.70	409.41	9.75	-73.95
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C(F)F)C(F)=C2)C(=O)[O-])C=C1	REAL300012032617	0	52	0.0	-63.85	424.78	11.78	-52.07
COC(=O)C1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1C	REAL300012032618	0	58	0.0	-71.18	464.51	12.29	-58.89
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC)C=C2C)C(=O)[O-])C=C1	REAL300012032619	0	56	0.0	-64.31	437.93	11.01	-53.30
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3OC(C)CC3=C2)C(=O)[O-])C=C1	REAL300012032620	0	57	0.0	-66.03	450.55	11.67	-54.36
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC3=C2OC(=O)N3)C(=O)[O-])C=C1	REAL300012032621	0	52	0.0	-67.60	417.33	8.32	-59.28
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC3=C2OCC3)C(=O)[O-])C=C1	REAL300012032622	0	54	0.0	-60.99	429.42	10.93	-50.06
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(CSC)C=C2)C(=O)[O-])C=C1	REAL300012032623	0	56	0.0	-58.08	451.69	12.71	-45.37
COC1=CC=C(CC(CCC[NH2+]CC2=CN(CC3CCC3)N=C2)C(=O)[O-])C=C1	REAL300012032624	0	59	0.0	-66.61	465.92	11.84	-54.77
COC1=CC=C(CC(CCC[NH2+]CC2=C3COCCC3=NN2C)C(=O)[O-])C=C1	REAL300012032625	0	57	0.0	-72.85	448.93	8.68	-64.17
COC1=CC=C(CC(CCC[NH2+]CC2=C3CCCC3=NN2C)C(=O)[O-])C=C1	REAL300012032626	0	56	0.0	-62.46	431.44	10.28	-52.18
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NN2C2CCC2)C(=O)[O-])C=C1	REAL300012032627	0	56	0.0	-68.73	442.82	10.90	-57.83
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C3CCC3)N=C2)C(=O)[O-])C=C1	REAL300012032628	0	56	0.0	-67.76	441.79	10.87	-56.89
COC1=CC=C(CC(CCC[NH2+]CC2=CC(OC)=CC=C2C)C(=O)[O-])C=C1	REAL300012032629	0	56	0.0	-55.91	429.90	10.74	-45.17
COC1=CC=C(CC(CCC[NH2+]CC2=C3C(=CC=C2)N=CN3C)C(=O)[O-])C=C1	REAL300012032630	0	55	0.0	-71.53	432.03	12.34	-59.19
CCC1=CC=CC=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032631	0	55	0.0	-60.88	427.23	12.38	-48.50
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C(=O)N(C)C)C=C2)C(=O)[O-])C=C1	REAL300012032632	0	59	0.0	-73.08	463.57	10.89	-62.19
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C)=CC(F)=C2)C(=O)[O-])C=C1	REAL300012032633	0	52	0.0	-68.05	421.45	11.82	-56.23
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)C(C)=C2C)C(=O)[O-])C=C1	REAL300012032634	0	58	0.0	-54.94	435.13	12.55	-42.39
CCNC(=O)C1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1	REAL300012032635	0	59	0.0	-73.37	471.59	10.21	-63.16
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC=C2C(C)(C)C)C(=O)[O-])C=C1	REAL300012032636	0	61	0.0	-52.24	438.78	13.00	-39.24
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C3CCCCCN23)C(=O)[O-])C=C1	REAL300012032637	0	59	0.0	-67.12	449.64	11.47	-55.65
COC1=CC=C(CC(CCC[NH2+]CC2=CON=C2C2CC2)C(=O)[O-])C=C1	REAL300012032638	0	52	0.0	-69.32	421.82	10.70	-58.62
CCN1CCC2=CC(C[NH2+]CCCC(CC3=CC=C(OC)C=C3)C(=O)[O-])=CC=C21	REAL300012032639	0	61	0.0	-64.07	472.96	11.72	-52.35
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)N(C(C)C)N=C2)C(=O)[O-])C=C1	REAL300012032640	0	58	0.0	-76.93	455.07	10.80	-66.13
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C3CC3)C(C)=C2)C(=O)[O-])C=C1	REAL300012032641	0	59	0.0	-56.31	452.60	13.44	-42.87
CCOC1=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=CC=N1	REAL300012032642	0	55	0.0	-61.34	434.52	8.46	-52.88
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)C(C3CC3)=C2)C(=O)[O-])C=C1	REAL300012032643	0	59	0.0	-62.21	460.10	13.72	-48.49
COC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])O1	REAL300012032644	0	50	0.0	-64.42	407.42	9.66	-54.76
COCCOC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])O1	REAL300012032645	0	57	0.0	-66.36	462.91	9.84	-56.52
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)N(C(C)C)N=C2C)C(=O)[O-])C=C1	REAL300012032646	0	61	0.0	-63.96	476.96	11.40	-52.56
COC1=CC=C(CC(CCC[NH2+]CC2=NN(CCF)C=C2)C(=O)[O-])C=C1	REAL300012032647	0	52	0.0	-75.29	423.12	9.74	-65.55
CCN1C=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C(C)=N1	REAL300012032648	0	55	0.0	-77.96	436.13	10.29	-67.67
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C)N=C2C2CC2)C(=O)[O-])C=C1	REAL300012032649	0	56	0.0	-66.80	448.54	11.07	-55.73
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C3CC3)=NN2C)C(=O)[O-])C=C1	REAL300012032650	0	56	0.0	-69.44	445.99	10.75	-58.69
COC1=CC=C(CC(CCC[NH2+]CC2=CON=C2C(C)C)C(=O)[O-])C=C1	REAL300012032651	0	54	0.0	-62.96	423.80	10.11	-52.85
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NC(OC)=C2F)C(=O)[O-])C=C1	REAL300012032652	0	52	0.0	-64.63	418.25	7.58	-57.05
COC1=CC=C(CC(CCC[NH2+]CC2=CN3C=CN=C3S2)C(=O)[O-])C=C1	REAL300012032653	0	49	0.0	-67.38	402.95	10.79	-56.59
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)OC(C(C)(C)C)=C2)C(=O)[O-])C=C1	REAL300012032654	0	61	0.0	-61.58	477.62	12.66	-48.92
COC1=CC=C(CC(CCC[NH2+]CC2=NC(C)=C(C)S2)C(=O)[O-])C=C1	REAL300012032655	0	51	0.0	-62.15	419.10	9.53	-52.62
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3OC(C)C(C)C3=C2)C(=O)[O-])C=C1	REAL300012032656	0	60	0.0	-60.65	458.97	11.93	-48.72
COC1=CC=C(CC(CCC[NH2+]CC2=CSN=C2)C(=O)[O-])C=C1	REAL300012032657	0	45	0.0	-67.61	378.18	8.74	-58.87
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC=C2CC(C)C)C(=O)[O-])C=C1	REAL300012032658	0	61	0.0	-54.70	455.33	13.23	-41.47
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)C(C(F)(F)F)=NN2)C(=O)[O-])C=C1	REAL300012032659	0	52	0.0	-85.86	429.84	8.98	-76.88
COC1=CC=C(CC(CCC[NH2+]CC2=CN(CC(C)C)N=N2)C(=O)[O-])C=C1	REAL300012032660	0	57	0.0	-59.40	445.09	9.68	-49.72
COC1=CC=C(CC(CCC[NH2+]CC2=NC(C3CC3)=CS2)C(=O)[O-])C=C1	REAL300012032661	0	52	0.0	-63.80	429.31	10.31	-53.49
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C(F)(F)F)=NN2)C(=O)[O-])C=C1	REAL300012032662	0	49	0.0	-74.58	414.69	8.43	-66.15
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3CCOC3=C2)C(=O)[O-])C=C1	REAL300012032663	0	54	0.0	-77.45	427.98	10.88	-66.57
COC1=CC=C(CC(CCC[NH2+]CC2=NN(C)C=C2Cl)C(=O)[O-])C=C1	REAL300012032664	0	49	0.0	-71.93	411.57	9.24	-62.69
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(SC)=C2)C(=O)[O-])C=C1	REAL300012032665	0	53	0.0	-58.55	425.79	11.84	-46.71
COC1=CC=C(CC(CCC[NH2+]CC2=C(C(C)C)C=NN2C)C(=O)[O-])C=C1	REAL300012032666	0	58	0.0	-61.29	447.71	10.31	-50.98
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C)=NC(C)=C2)C(=O)[O-])C=C1	REAL300012032667	0	54	0.0	-80.26	430.23	10.48	-69.78
CCCN1C=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C(C)=N1	REAL300012032668	0	58	0.0	-77.84	457.63	11.05	-66.79
CCN1C=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=N1	REAL300012032669	0	52	0.0	-73.49	416.54	9.61	-63.88
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=NC=CC=C3O2)C(=O)[O-])C=C1	REAL300012032670	0	51	0.0	-69.27	416.30	9.81	-59.46
COC1=CC=C(CC(CCC[NH2+]CC2=NC(C)=C(C)O2)C(=O)[O-])C=C1	REAL300012032671	0	51	0.0	-75.82	410.70	7.18	-68.64
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(CC3CC3)S2)C(=O)[O-])C=C1	REAL300012032672	0	56	0.0	-63.19	458.82	13.33	-49.86
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC3CC3)C=C2)C(=O)[O-])C=C1	REAL300012032673	0	57	0.0	-59.30	446.11	11.79	-47.51
CNC(=O)C1=CC=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1	REAL300012032674	0	56	0.0	-79.74	448.75	9.31	-70.43
CCNC(=O)C1=CC=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1	REAL300012032676	0	59	0.0	-70.72	471.63	10.21	-60.51
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)C3=CC(F)=CC=C3O2)C(=O)[O-])C=C1	REAL300012032677	0	55	0.0	-60.28	440.28	12.05	-48.23
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C3CCC3)=NN2)C(=O)[O-])C=C1	REAL300012032678	0	56	0.0	-80.73	439.24	9.94	-70.79
CCCN1C=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=N1	REAL300012032679	0	55	0.0	-73.37	438.03	10.36	-63.01
COC1=CC=C(CC(CCC[NH2+]CC2=NN(C(C)C)C=C2)C(=O)[O-])C=C1	REAL300012032680	0	55	0.0	-72.97	435.20	10.11	-62.86
COC1=CC=C(CC(CCC[NH2+]CC2=CN=CC(C(C)(C)C)=C2)C(=O)[O-])C=C1	REAL300012032681	0	60	0.0	-68.07	465.03	11.58	-56.49
COC1=CC=C(CC(CCC[NH2+]CC2=NN(CC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012032682	0	52	0.0	-68.81	435.91	10.16	-58.65
COC1=CC=C(CC(CCC[NH2+]CC2=NC3=C(CCCC3)N2C)C(=O)[O-])C=C1	REAL300012032683	0	59	0.0	-64.56	456.35	11.76	-52.80
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(Cl)N=C2OC)C(=O)[O-])C=C1	REAL300012032684	0	52	0.0	-65.84	436.27	8.27	-57.57
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C)N=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012032685	0	52	0.0	-65.49	432.08	9.93	-55.56
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C(F)F)=C2F)C(=O)[O-])C=C1	REAL300012032686	0	52	0.0	-68.75	432.26	12.03	-56.72
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC3=C2COCC3)C(=O)[O-])C=C1	REAL300012032687	0	57	0.0	-58.33	432.31	10.82	-47.51
COC1=NN(C)C=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032688	0	53	0.0	-76.05	427.84	6.76	-69.29
COC1=CC=C(CC(CCC[NH2+]CC2=NC3=C(COCC3)S2)C(=O)[O-])C=C1	REAL300012032689	0	53	0.0	-59.60	425.00	8.16	-51.44
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=C(CCCC3)O2)C(=O)[O-])C=C1	REAL300012032690	0	56	0.0	-61.83	437.95	11.93	-49.90
COC1=CC=C(CC(CCC[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C(=O)[O-])C=C1	REAL300012032691	0	51	0.0	-90.19	426.75	11.77	-78.42
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C3CCCCC3)N=C2)C(=O)[O-])C=C1	REAL300012032692	0	62	0.0	-63.98	478.32	12.14	-51.84
COC1=CC=C(CC(CCC[NH2+]CC2=NC(C)=CO2)C(=O)[O-])C=C1	REAL300012032693	0	48	0.0	-65.35	391.03	6.43	-58.92
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C(OC)C=C2C)C(=O)[O-])C=C1	REAL300012032694	0	55	0.0	-69.67	436.67	8.34	-61.33
COC1=CC=C(CC(CCC[NH2+]CC2=CC(O)=C(OC)C=C2C)C(=O)[O-])C=C1	REAL300012032695	0	57	0.0	-60.01	440.62	8.56	-51.45
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(C)C(OC)=N2)C(=O)[O-])C=C1	REAL300012032696	0	55	0.0	-62.51	440.97	8.49	-54.02
CCCN1C=NC=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032697	0	55	0.0	-76.96	430.40	11.91	-65.05
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012032698	0	49	0.0	-55.12	389.19	7.74	-47.38
COC1=CC=C(CC(CCC[NH2+]CC=CC2=CC=C3OCOC3=C2)C(=O)[O-])C=C1	REAL300012032699	0	56	0.0	-70.42	450.73	11.04	-59.38
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(CC3CCC3)C=C2)C(=O)[O-])C=C1	REAL300012032700	0	62	0.0	-61.53	484.79	14.61	-46.92
CCC1=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=NN1CC	REAL300012032701	0	58	0.0	-75.38	451.49	10.94	-64.44
COC1=CC=C(CC(CCC[NH2+]CC2=C(F)C=CC(Cl)=C2F)C(=O)[O-])C=C1	REAL300012032702	0	49	0.0	-53.84	412.37	11.37	-42.47
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C3CC3)=NN2)C(=O)[O-])C=C1	REAL300012032703	0	53	0.0	-62.94	417.19	9.29	-53.65
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NN2C2CC2(F)F)C(=O)[O-])C=C1	REAL300012032704	0	53	0.0	-87.28	435.84	10.57	-76.71
COC1=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=CS1	REAL300012032705	0	50	0.0	-53.85	407.11	9.25	-44.60
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)OC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012032706	0	52	0.0	-59.23	433.01	10.88	-48.35
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C(C)(F)F)=C2)C(=O)[O-])C=C1	REAL300012032707	0	55	0.0	-76.20	445.48	12.56	-63.64
COC1=CC=C(CC(CCC[NH2+]CC2=CNN=C2C2=CN(C)N=C2)C(=O)[O-])C=C1	REAL300012032708	0	56	0.0	-64.11	445.91	8.53	-55.58
COC1=CC=C(CC(CCC[NH2+]CC2=CC(F)=CC(F)=C2F)C(=O)[O-])C=C1	REAL300012032709	0	49	0.0	-64.89	410.88	11.28	-53.61
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C(C)(C)C)=NN2)C(=O)[O-])C=C1	REAL300012032710	0	58	0.0	-67.70	455.65	9.93	-57.77
C=CCC1=CC=CC=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032711	0	56	0.0	-61.81	440.80	12.96	-48.85
COC1=CC=C(CC(CCC[NH2+]CC=CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012032712	0	53	0.0	-64.74	424.67	12.38	-52.36
COC1=CC=C(CC(CCC[NH2+]CC2=CN=NN2C2CC2)C(=O)[O-])C=C1	REAL300012032713	0	52	0.0	-74.88	420.17	9.11	-65.77
COCC1=CC=CC=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032714	0	56	0.0	-64.03	440.10	10.94	-53.09
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3CCOCC3=C2)C(=O)[O-])C=C1	REAL300012032715	0	57	0.0	-58.90	439.28	10.91	-47.99
COC1=CC=C(CC(CCC[NH2+]CC2=CN(CCO)N=C2)C(=O)[O-])C=C1	REAL300012032716	0	53	0.0	-66.72	429.43	6.40	-60.32
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C(=O)[O-])C=C1	REAL300012032717	0	55	0.0	-73.37	448.29	9.27	-64.10
COC1=CC=C(CC(CCC[NH2+]CC=CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300012032718	0	52	0.0	-69.16	419.69	10.63	-58.53
COC1=CC=C(CC(CCC[NH2+]CC2=CNN=C2C2=NN(C)C=C2)C(=O)[O-])C=C1	REAL300012032719	0	56	0.0	-64.36	453.98	9.15	-55.21
C=CC1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1	REAL300012032720	0	53	0.0	-63.02	424.79	12.18	-50.84
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC=C2C(C)(F)F)C(=O)[O-])C=C1	REAL300012032721	0	55	0.0	-58.72	434.16	12.63	-46.09
CCN1C=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012032722	0	59	0.0	-60.32	462.26	11.63	-48.69
COC1=CC=C(CC(CCC[NH2+]CC2=CON=C2C(C)(C)C)C(=O)[O-])C=C1	REAL300012032723	0	57	0.0	-63.35	433.18	10.58	-52.77
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CN=CC=C3C=C2)C(=O)[O-])C=C1	REAL300012032724	0	54	0.0	-82.59	433.13	11.51	-71.08
COC1=CC=C(CC(CCC[NH2+]CC2=C3OC(C)=CC3=CC=C2)C(=O)[O-])C=C1	REAL300012032725	0	55	0.0	-63.82	442.90	12.24	-51.58
COC1=CSC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1OC	REAL300012032726	0	54	0.0	-63.19	446.38	9.13	-54.06
COC1=CC=C(CC(CCC[NH2+]CC2=CON=C2C2CCC2)C(=O)[O-])C=C1	REAL300012032727	0	55	0.0	-70.27	438.33	11.16	-59.11
COC1=CC=C(CC(CCC[NH2+]CC2=CC(S(C)(=O)=O)=CO2)C(=O)[O-])C=C1	REAL300012032728	0	52	0.0	-67.78	429.39	6.42	-61.36
CCN1C=C(Cl)C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=N1	REAL300012032729	0	52	0.0	-71.52	433.11	10.09	-61.43
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(F)C(Cl)=C2F)C(=O)[O-])C=C1	REAL300012032730	0	49	0.0	-66.70	420.25	11.69	-55.01
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C(F)F)=C2)C(=O)[O-])C=C1	REAL300012032731	0	52	0.0	-59.74	419.74	11.76	-47.98
COC1=CC=C(CC(CCC[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C(=O)[O-])C=C1	REAL300012032732	0	55	0.0	-59.09	436.10	13.08	-46.01
COC1=CC=C(CC(CCC[NH2+]CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012032733	0	46	0.0	-65.85	400.65	10.64	-55.21
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)N(C3CCC3)N=C2)C(=O)[O-])C=C1	REAL300012032734	0	59	0.0	-67.19	462.57	11.50	-55.69
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C)=NN2C2CCCC2)C(=O)[O-])C=C1	REAL300012032735	0	62	0.0	-63.03	473.67	11.91	-51.12
COC1=CC=C(CC(CCC[NH2+]CC2=CC=NN2CC(F)F)C(=O)[O-])C=C1	REAL300012032736	0	52	0.0	-75.21	424.52	9.88	-65.33
COC1=CC=C(CC(CCC[NH2+]CC2=C(F)C=CN=C2Cl)C(=O)[O-])C=C1	REAL300012032737	0	48	0.0	-59.70	408.19	9.70	-50.00
COC1=CC=C(CC(CCC[NH2+]CC2=C(F)C=NC=C2N(C)C)C(=O)[O-])C=C1	REAL300012032738	0	56	0.0	-61.38	447.47	9.18	-52.20
COC1=CC=C(CC(CCC[NH2+]CC2=NN(C3CCC3)C=C2)C(=O)[O-])C=C1	REAL300012032739	0	56	0.0	-60.40	439.78	10.67	-49.73
COC1=CC=C(CC(CCC[NH2+]CC2=NN(CC(F)F)C=C2)C(=O)[O-])C=C1	REAL300012032740	0	52	0.0	-67.04	431.02	9.95	-57.09
COC1=CC=C(CC(CCC[NH2+]CC2=NN(C3CC3(F)F)C=C2)C(=O)[O-])C=C1	REAL300012032741	0	53	0.0	-59.10	431.49	10.27	-48.83
COC1=CC=C(CC(CCC[NH2+]CC2=NC(C)=CN2C)C(=O)[O-])C=C1	REAL300012032742	0	52	0.0	-77.34	413.70	9.99	-67.35
COC1=CC=C(CC(CCC[NH2+]CC2=NN(C3CCCC3)C=C2)C(=O)[O-])C=C1	REAL300012032743	0	59	0.0	-72.77	457.90	11.38	-61.39
COC1=CC=C(CC(CCC[NH2+]CC2=NC=C(Cl)C=C2Cl)C(=O)[O-])C=C1	REAL300012032744	0	48	0.0	-53.62	411.43	9.90	-43.72
COC1=CC=C(CC(CCC[NH2+]CC2=CSN=C2C)C(=O)[O-])C=C1	REAL300012032745	0	48	0.0	-80.26	393.00	9.25	-71.01
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C3CCCC3)N=C2C)C(=O)[O-])C=C1	REAL300012032746	0	62	0.0	-65.94	478.97	12.12	-53.82
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC=C2C(F)F)C(=O)[O-])C=C1	REAL300012032747	0	52	0.0	-57.60	408.60	11.79	-45.81
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=CNN=C3C=C2)C(=O)[O-])C=C1	REAL300012032748	0	52	0.0	-71.71	419.88	9.80	-61.91
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(Cl)C(F)=C2F)C(=O)[O-])C=C1	REAL300012032749	0	49	0.0	-66.93	420.68	11.70	-55.23
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(F)=C2C)C(=O)[O-])C=C1	REAL300012032750	0	52	0.0	-60.36	406.29	11.41	-48.95
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C#N)=C2OC)C(=O)[O-])C=C1	REAL300012032751	0	54	0.0	-67.06	435.35	10.63	-56.43
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(Cl)N=C2C)C(=O)[O-])C=C1	REAL300012032752	0	51	0.0	-70.97	420.43	10.31	-60.66
COC1=CC=C(CC(CCC[NH2+]CC2=CC(Cl)=CC(OC)=C2)C(=O)[O-])C=C1	REAL300012032753	0	53	0.0	-78.22	438.36	10.84	-67.38
COC1=CC=C(CC(CCC[NH2+]CC2=CC(F)=C(F)C(OC)=C2)C(=O)[O-])C=C1	REAL300012032754	0	53	0.0	-88.42	434.15	10.45	-77.97
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C(C)C=C2OC)C(=O)[O-])C=C1	REAL300012032755	0	55	0.0	-73.77	437.37	9.23	-64.54
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C(C)C)C=N2)C(=O)[O-])C=C1	REAL300012032756	0	55	0.0	-64.10	437.12	11.65	-52.45
COC1=CC=C(CC(CCC[NH2+]CC2=CNN=C2C2=CC=NN2C)C(=O)[O-])C=C1	REAL300012032757	0	56	0.0	-66.44	448.14	8.42	-58.02
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)ON=C2C2CC2)C(=O)[O-])C=C1	REAL300012032758	0	55	0.0	-80.57	441.40	11.43	-69.14
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC(C)C)O2)C(=O)[O-])C=C1	REAL300012032759	0	56	0.0	-64.19	449.59	11.32	-52.87
COC1=CC=C(CC(CCC[NH2+]CC2=CC(F)=CC(C#N)=C2)C(=O)[O-])C=C1	REAL300012032760	0	50	0.0	-87.38	419.39	11.48	-75.90
COC1=CC=C(CC(CCC[NH2+]CC=CC2=CC=CC=C2OC)C(=O)[O-])C=C1	REAL300012032761	0	57	0.0	-64.10	453.04	11.74	-52.36
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C3CCC3)N=C2C)C(=O)[O-])C=C1	REAL300012032762	0	59	0.0	-66.42	461.44	11.46	-54.96
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)N(CC(F)F)N=C2)C(=O)[O-])C=C1	REAL300012032763	0	55	0.0	-82.34	446.67	10.44	-71.90
COC1=CC=C(CC(CCC[NH2+]CC2=CC(C3=CC=CO3)=NN2C)C(=O)[O-])C=C1	REAL300012032764	0	56	0.0	-73.65	456.97	10.34	-63.31
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(OC)N=C2C)C(=O)[O-])C=C1	REAL300012032765	0	55	0.0	-80.09	434.24	8.31	-71.78
CCN(C)C1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C(C)=C1	REAL300012032766	0	63	0.0	-54.85	473.65	12.80	-42.05
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)SN=C2)C(=O)[O-])C=C1	REAL300012032767	0	48	0.0	-79.99	394.87	9.45	-70.54
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)ON=C2)C(=O)[O-])C=C1	REAL300012032768	0	48	0.0	-66.56	389.92	9.34	-57.22
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(CF)C=C2)C(=O)[O-])C=C1	REAL300012032769	0	52	0.0	-58.58	413.55	11.64	-46.94
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3SC=CC3=C2)C(=O)[O-])C=C1	REAL300012032770	0	52	0.0	-79.45	429.05	12.40	-67.05
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC=C2CO)C(=O)[O-])C=C1	REAL300012032771	0	53	0.0	-65.26	417.85	8.54	-56.72
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)SN=C2C)C(=O)[O-])C=C1	REAL300012032772	0	51	0.0	-61.17	408.13	9.66	-51.51
COC1=CC=C(CC(CCC[NH2+]CC2=C(C(C)(C)C)ON=C2)C(=O)[O-])C=C1	REAL300012032773	0	57	0.0	-63.75	436.87	11.14	-52.61
C=CCN1C=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=N1	REAL300012032774	0	53	0.0	-66.81	430.81	10.31	-56.50
COC1=CC=C(CC(CCC[NH2+]CC2=CC3=NNC=C3C=C2)C(=O)[O-])C=C1	REAL300012032775	0	52	0.0	-79.98	418.38	9.74	-70.24
CCC(C)C1=CC=C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])C=C1	REAL300012032776	0	61	0.0	-55.97	464.25	13.42	-42.55
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC(C(C)(F)F)=N2)C(=O)[O-])C=C1	REAL300012032777	0	54	0.0	-70.07	442.73	11.04	-59.03
COC1=CC=C(CC(CCC[NH2+]CC2=CC=CC3=C2CCCC3)C(=O)[O-])C=C1	REAL300012032778	0	59	0.0	-63.62	449.02	13.44	-50.18
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C(=O)[O-])C=C1	REAL300012032779	0	55	0.0	-71.00	437.94	10.74	-60.26
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)C3=CC=CC=C3C=C2)C(=O)[O-])C=C1	REAL300012032780	0	58	0.0	-65.59	450.60	13.83	-51.76
COC1=CC=C(CC(CCC[NH2+]CC2=CC=C3NC=CC3=C2OC)C(=O)[O-])C=C1	REAL300012032781	0	57	0.0	-64.32	454.61	10.51	-53.81
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)SC(C)=N2)C(=O)[O-])C=C1	REAL300012032782	0	51	0.0	-60.53	419.09	9.50	-51.03
CCCN1N=CC(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1C	REAL300012032783	0	58	0.0	-77.33	456.81	10.88	-66.45
COC1=CC=C(CC(CCC[NH2+]CC2=C(C)C=CC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300012032784	0	57	0.0	-58.31	449.51	12.17	-46.14
COC(=O)C1=CN(C)C(C[NH2+]CCCC(CC2=CC=C(OC)C=C2)C(=O)[O-])=C1	REAL300012032785	0	56	0.0	-73.87	455.59	11.21	-62.66
CCCN1N=C(C)C=C1C[NH2+]CCCC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012032786	0	58	0.0	-68.54	454.78	10.94	-57.60
COC1=CC=C(CC(CCC[NH2+]CC2=CN(C)N=C2C2CCC2)C(=O)[O-])C=C1	REAL300012032787	0	59	0.0	-60.42	456.74	11.23	-49.19
COC1=CC=C(CC(CCC[NH2+]CC2=CN=C(C(C)(C)C)O2)C(=O)[O-])C=C1	REAL300012032788	0	57	0.0	-67.49	452.82	8.58	-58.91
CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C)=C1	REAL300012032789	0	49	0.0	-72.05	391.62	13.51	-58.54
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CCOC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012032822	0	50	0.0	-74.04	406.77	12.43	-61.61
CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1F	REAL300012032823	0	46	0.0	-77.86	382.13	12.92	-64.94
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2Cl)C=C1	REAL300012032824	0	43	0.0	-70.63	384.83	13.17	-57.46
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CC(C)C1=NN(C)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032829	0	52	0.0	-74.66	420.61	11.86	-62.80
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032830	1	52	0.0	-76.87	440.33	12.34	-64.53
COCCOC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012032831	0	54	0.0	-80.63	445.21	11.89	-68.74
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1Cl	REAL300012032832	0	47	0.0	-78.60	400.94	12.06	-66.54
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032833	1	55	0.0	-77.22	436.80	13.79	-63.43
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC3=C2OCCO3)C=C1	REAL300012032834	0	49	0.0	-77.45	403.13	11.60	-65.85
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC3=C2OCCCO3)C=C1	REAL300012032835	0	52	0.0	-79.18	420.07	12.40	-66.78
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032836	1	55	0.0	-76.30	441.26	14.29	-62.01
CCCOC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012032837	0	53	0.0	-79.05	433.08	13.42	-65.63
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C=C1	REAL300012032838	0	50	0.0	-71.25	421.45	14.80	-56.45
CC(C)OC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012032839	0	53	0.0	-73.69	424.76	13.08	-60.61
CC(C)C1=NC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CS1	REAL300012032840	1	48	0.0	-74.26	408.01	11.43	-62.83
CC(C)(C)C1=NC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CS1	REAL300012032841	1	51	0.0	-71.74	422.14	11.76	-59.98
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)OC=C1	REAL300012032842	0	43	0.0	-73.38	356.73	10.98	-62.40
CC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CN=C1Cl	REAL300012032843	0	45	0.0	-81.96	385.92	11.43	-70.53
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O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)C=C1	REAL300012032845	0	48	0.0	-70.85	401.56	12.82	-58.03
COC1=CC=C2OC(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)=CC2=C1	REAL300012032846	0	50	0.0	-82.73	417.58	12.20	-70.53
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CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C2=CC=CC=C2O1	REAL300012032848	0	49	0.0	-80.56	408.50	13.53	-67.03
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CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N=C1	REAL300012032851	0	45	0.0	-72.90	371.83	11.04	-61.86
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CCOC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012032858	0	49	0.0	-77.96	409.27	9.99	-67.97
CC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC2=CC=CN=C12	REAL300012032859	0	51	0.0	-81.60	416.66	13.40	-68.20
CC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC=C1Cl	REAL300012032860	0	46	0.0	-77.45	390.87	13.30	-64.15
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CCCC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012032862	0	52	0.0	-73.08	419.80	14.42	-58.66
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CCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N=C1	REAL300012032866	0	49	0.0	-77.30	406.66	10.76	-66.54
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032867	0	49	0.0	-79.01	409.27	13.87	-65.14
C=CCOC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012032868	0	51	0.0	-74.15	419.67	13.02	-61.13
CC1=CC(C)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1C	REAL300012032869	0	52	0.0	-76.28	414.77	14.16	-62.12
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CC(C)(C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300012032871	0	52	0.0	-73.19	403.48	13.92	-59.27
CC1CCC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300012032872	0	52	0.0	-72.17	390.22	12.94	-59.23
CC(CCC1=CC=CC=C1)C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032873	0	55	0.0	-72.94	434.43	15.10	-57.84
CCC1CCCC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C1	REAL300012032874	0	55	0.0	-71.41	408.47	13.54	-57.87
CCC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032875	0	49	0.0	-67.14	404.18	13.88	-53.26
CC1=C(C)C=C2OC(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)=CC2=C1	REAL300012032876	0	52	0.0	-80.25	426.40	14.12	-66.13
CCCC1CCC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300012032877	0	58	0.0	-71.86	436.98	14.56	-57.30
CC1CCCCC1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032878	0	52	0.0	-75.80	391.64	12.97	-62.83
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COC1=CC=C(C)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032880	0	50	0.0	-73.61	409.78	12.42	-61.19
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1F	REAL300012032881	0	47	0.0	-80.64	391.14	11.58	-69.06
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CC(C)C1CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)CCO1	REAL300012032883	0	56	0.0	-75.22	426.54	12.27	-62.95
CC1(C)CCC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300012032884	0	55	0.0	-72.51	410.40	13.44	-59.07
CCSC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012032885	0	50	0.0	-74.00	417.10	14.06	-59.94
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(O)C=CC(Cl)=C2F)C=C1	REAL300012032886	1	44	0.0	-73.43	386.58	9.95	-63.48
COC1(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)CCCCC1	REAL300012032887	0	53	0.0	-74.52	402.98	11.75	-62.77
CCN1N=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300012032888	0	52	0.0	-76.11	427.19	13.00	-63.11
COCCC1(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)CCCCC1	REAL300012032889	0	59	0.0	-76.33	438.16	12.59	-63.74
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012032890	0	53	0.0	-75.74	428.27	13.23	-62.51
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3O2)C=C1	REAL300012032891	0	46	0.0	-80.39	388.12	12.92	-67.47
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C=C1	REAL300012032892	0	50	0.0	-76.42	415.67	14.10	-62.32
CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300012032893	0	48	0.0	-84.84	402.07	13.52	-71.32
CC(C)OC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012032894	0	53	0.0	-75.63	424.77	13.08	-62.55
CC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC=C1F	REAL300012032895	0	46	0.0	-78.88	382.13	12.91	-65.97
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C3NC=CC3=CC=C2)C=C1	REAL300012032896	0	47	0.0	-75.86	386.77	12.22	-63.64
CC(C)CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012032897	0	55	0.0	-72.77	436.56	14.89	-57.88
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300012032898	0	49	0.0	-92.45	410.94	12.94	-79.51
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C=C1	REAL300012032899	0	43	0.0	-78.75	388.87	13.23	-65.52
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(F)=CC(Cl)=C2)C=C1	REAL300012032900	0	43	0.0	-83.98	383.38	12.97	-71.01
CC1=CC=CC(C)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032901	0	49	0.0	-71.75	388.58	13.28	-58.47
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(Br)=CO2)C=C1	REAL300012032902	0	40	0.0	-76.28	357.88	10.99	-65.29
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(OC(F)F)=C2)C=C1	REAL300012032903	0	47	0.0	-78.39	394.67	11.79	-66.60
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(Cl)C=C2F)C=C1	REAL300012032904	0	43	0.0	-74.03	377.71	12.77	-61.26
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2F)C=C1	REAL300012032905	0	43	0.0	-72.31	377.70	12.76	-59.55
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(F)=CC(F)=C2)C=C1	REAL300012032906	0	43	0.0	-80.74	368.23	12.35	-68.39
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(Cl)=C2F)C=C1	REAL300012032907	0	43	0.0	-81.31	381.96	12.92	-68.39
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300012032908	0	53	0.0	-81.97	429.57	13.88	-68.09
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C=C1	REAL300012032909	0	50	0.0	-73.99	413.90	12.16	-61.83
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NNC=C2C2=CC=CC=C2)C=C1	REAL300012032909	1	50	0.0	-70.75	412.82	12.14	-58.61
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(F)=C2F)C=C1	REAL300012032910	0	43	0.0	-82.74	372.08	12.48	-70.26
CN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032911	1	49	0.0	-78.20	401.85	12.56	-65.64
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012032912	0	46	0.0	-80.41	382.46	8.90	-71.51
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C3OCCC3=C2)C=C1	REAL300012032913	0	48	0.0	-78.03	391.30	12.07	-65.96
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C=C1	REAL300012032914	0	53	0.0	-76.40	429.62	15.62	-60.78
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)C=C1	REAL300012032915	0	54	0.0	-81.95	434.15	12.30	-69.65
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C3C=CNC3=CC=C2)C=C1	REAL300012032916	0	47	0.0	-76.42	391.44	12.41	-64.01
CC1=CC(F)=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032917	0	46	0.0	-77.41	376.61	12.92	-64.49
CC1=NC(C)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012032918	0	45	0.0	-71.92	381.27	10.69	-61.23
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C=C1	REAL300012032919	0	52	0.0	-75.96	427.13	14.09	-61.87
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C=C1	REAL300012032920	0	52	0.0	-83.04	429.46	14.03	-69.01
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C=C1	REAL300012032921	0	52	0.0	-79.91	424.83	13.87	-66.04
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032922	0	58	0.0	-78.61	452.63	12.87	-65.74
CNC(=O)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012032923	0	50	0.0	-84.58	411.89	10.49	-74.09
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3C=C2)C=C1	REAL300012032924	0	49	0.0	-80.45	406.35	14.65	-65.80
COC1=C2OC(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)=CC2=CC=C1	REAL300012032925	0	50	0.0	-81.95	417.63	12.21	-69.74
COC1=CC(OC)=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012032926	0	51	0.0	-75.69	414.42	10.82	-64.87
COC1=CC2=CC=C(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)C=C2C=C1	REAL300012032927	0	53	0.0	-79.78	430.87	13.76	-66.02
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3NC2=O)C=C1	REAL300012032929	0	49	0.0	-77.02	410.58	11.44	-65.58
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC=C1SC	REAL300012032930	0	51	0.0	-79.87	424.33	12.55	-67.32
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C=C1	REAL300012032931	0	50	0.0	-79.61	414.81	12.15	-67.46
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C=C1	REAL300012032932	1	49	0.0	-81.96	408.34	12.05	-69.91
CN1C=NC2=CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)=CC=C21	REAL300012032933	0	49	0.0	-78.53	403.80	13.55	-64.98
CCN1N=C(C)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1C	REAL300012032934	0	52	0.0	-81.11	423.95	12.04	-69.07
CC1(C)CC2=CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)=CC=C2O1	REAL300012032935	0	54	0.0	-82.19	437.64	13.64	-68.55
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=COC(C3=CC=CC=C3)=N2)C=C1	REAL300012032936	1	49	0.0	-77.12	412.09	10.65	-66.47
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012032937	0	53	0.0	-75.12	432.98	12.75	-62.37
CC1=CC=C(F)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012032938	0	46	0.0	-71.89	381.34	12.93	-58.96
CC1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032939	0	46	0.0	-79.28	381.48	13.09	-66.19
CC1=NC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032940	0	45	0.0	-81.27	370.16	11.20	-70.07
CC(C)COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012032941	0	56	0.0	-75.48	448.37	13.93	-61.55
COCCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012032942	0	54	0.0	-77.73	440.40	11.70	-66.03
CC1(C)CCCC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C1	REAL300012032943	0	55	0.0	-72.22	410.40	13.44	-58.78
CC1=CCCC(C)C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032944	0	53	0.0	-73.40	404.39	13.74	-59.66
COC1=CC2=C(C=C1C[NH2+]CC1=CC=C(C3=CC=CC=C3C(=O)[O-])C=C1)OCO2	REAL300012032945	0	50	0.0	-79.34	414.38	10.41	-68.93
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=CC3=CC=CC=C32)C=C1	REAL300012032946	0	48	0.0	-76.81	391.83	12.59	-64.22
CC(C)COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012032947	0	56	0.0	-73.66	448.37	13.93	-59.73
CC1=CC(Cl)=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032948	0	46	0.0	-76.28	386.94	13.36	-62.92
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC=CC2=CC=C(F)C=C2)C=C1	REAL300012032949	0	47	0.0	-78.28	392.86	13.59	-64.69
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(Cl)N=C2)C=C1	REAL300012032950	0	42	0.0	-83.04	367.12	10.86	-72.18
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=CC(Br)=C2)C=C1	REAL300012032951	0	42	0.0	-79.64	371.58	11.04	-68.60
CN1N=NC2=CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)=CC=C21	REAL300012032952	0	48	0.0	-85.15	399.40	10.66	-74.49
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2CCCCCC2)C=C1	REAL300012032953	0	52	0.0	-67.12	387.59	13.00	-54.12
CC1(C)CC2=CC=CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)=C2O1	REAL300012032954	0	54	0.0	-68.49	432.72	13.42	-55.07
COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012032955	0	46	0.0	-78.05	387.41	9.06	-68.99
CN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C2=CC=CC=C2)=N1	REAL300012032956	0	53	0.0	-74.17	434.85	13.39	-60.78
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C=C1	REAL300012032957	0	50	0.0	-78.63	413.83	13.41	-65.22
CC(C)N1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012032958	0	49	0.0	-75.59	398.45	11.40	-64.19
CC1=NC2=CC=C(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)C=C2C=C1	REAL300012032959	0	51	0.0	-82.51	418.12	13.18	-69.33
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NC=CC=C2C(F)(F)F)C=C1	REAL300012032960	0	45	0.0	-67.95	379.32	11.29	-56.66
CC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC=C1N1C=NC=N1	REAL300012032961	0	52	0.0	-84.95	424.29	15.66	-69.29
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=CC(F)=CC=C3O2)C=C1	REAL300012032962	0	46	0.0	-83.17	394.54	12.99	-70.18
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(OCC(F)F)C=C2)C=C1	REAL300012032963	0	50	0.0	-80.30	419.77	12.76	-67.54
COCC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012032964	0	50	0.0	-75.06	410.48	11.93	-63.13
CCCCOC1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032965	0	56	0.0	-73.36	453.25	14.27	-59.09
COC1=CC(C)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1OC	REAL300012032966	0	54	0.0	-82.56	433.78	12.21	-70.35
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CNN=C2C2=CSC=C2)C=C1	REAL300012032967	0	47	0.0	-73.97	402.34	11.08	-62.89
CC1CCC2=C(C1)SC(C[NH2+]CC1=CC=C(C3=CC=CC=C3C(=O)[O-])C=C1)=N2	REAL300012032968	1	52	0.0	-71.28	424.75	12.57	-58.71
CC(C)(C)C1CCC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300012032969	0	61	0.0	-72.28	438.19	14.30	-57.98
CC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C(C)O1	REAL300012032970	0	46	0.0	-73.72	377.26	11.83	-61.89
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(OCC3CC3)C=C2)C=C1	REAL300012032971	0	54	0.0	-80.51	443.29	14.20	-66.31
CC(C)CC1=NC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012032972	0	51	0.0	-71.72	421.80	12.18	-59.54
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(Cl)OC3=CC=CC=C32)C=C1	REAL300012032973	0	46	0.0	-79.08	404.36	13.35	-65.73
COCCOC1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012032974	0	54	0.0	-73.53	443.88	11.95	-61.58
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NC3=C(CCC3)S2)C=C1	REAL300012032975	1	46	0.0	-72.05	386.06	11.39	-60.66
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012032976	0	47	0.0	-76.05	384.91	11.51	-64.54
CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)O1	REAL300012032977	0	43	0.0	-73.65	358.09	11.18	-62.47
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC=C2)C=C1	REAL300012032978	0	43	0.0	-73.02	355.40	12.22	-60.80
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CCCCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033011	0	56	0.0	-75.67	449.77	14.01	-61.66
COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033012	0	47	0.0	-74.23	384.92	11.51	-62.72
CC(=CC1=CC=CC=C1)C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033013	0	50	0.0	-74.18	402.39	13.97	-60.21
CCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1OC	REAL300012033014	0	54	0.0	-79.73	436.01	12.32	-67.41
CC(C)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033015	0	52	0.0	-72.85	415.64	14.14	-58.71
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300012033016	0	46	0.0	-78.04	394.14	13.21	-64.83
CCOC1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033017	0	50	0.0	-73.26	410.25	12.69	-60.57
CCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033018	0	50	0.0	-75.89	406.77	12.43	-63.46
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC=C2F)C=C1	REAL300012033019	0	43	0.0	-72.13	359.98	12.26	-59.87
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(F)=C2)C=C1	REAL300012033020	0	43	0.0	-76.69	361.81	12.28	-64.41
COC1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033021	0	47	0.0	-73.74	388.37	11.75	-61.99
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)SC=C1	REAL300012033022	0	43	0.0	-71.50	364.13	11.90	-59.60
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300012033023	0	53	0.0	-76.27	429.62	15.63	-60.64
CC1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033024	0	46	0.0	-76.13	375.05	13.01	-63.12
COC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C2=CC=CC=C2C=C1	REAL300012033025	0	53	0.0	-68.87	425.79	13.69	-55.18
CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033026	0	46	0.0	-73.05	376.82	12.88	-60.17
N#CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033027	0	44	0.0	-84.58	376.27	12.60	-71.98
CSC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033028	0	47	0.0	-76.41	395.63	13.23	-63.18
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(Cl)C=CC=C2Cl)C=C1	REAL300012033029	1	43	0.0	-65.53	383.51	13.03	-52.50
CC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033030	0	46	0.0	-73.06	376.82	12.87	-60.19
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CSC=C2)C=C1	REAL300012033031	0	40	0.0	-73.31	345.39	11.16	-62.15
CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033032	0	49	0.0	-72.99	398.30	13.65	-59.34
CC1=CC(C)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C)=C1	REAL300012033033	0	52	0.0	-71.77	409.99	13.94	-57.83
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(F)C=CC=C2F)C=C1	REAL300012033034	1	43	0.0	-67.95	366.03	12.26	-55.69
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CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012033036	0	43	0.0	-67.63	367.51	12.12	-55.51
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC=C2Br)C=C1	REAL300012033037	0	43	0.0	-70.13	370.86	12.80	-57.33
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1O	REAL300012033038	0	48	0.0	-78.61	395.67	9.35	-69.26
CC1=NN(C)C(C)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033039	0	49	0.0	-81.34	402.11	11.17	-70.17
CC1=NN(C)C(Cl)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033040	1	46	0.0	-78.28	398.37	11.03	-67.25
CCC1=NN(C)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033041	0	49	0.0	-74.85	399.35	11.35	-63.50
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN(CC(F)(F)F)N=C2)C=C1	REAL300012033042	0	46	0.0	-81.30	397.63	11.39	-69.91
CN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C(C)(C)C)=N1	REAL300012033043	0	55	0.0	-73.29	424.27	12.32	-60.97
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CN=C2)C=C1	REAL300012033044	0	42	0.0	-76.85	350.24	10.43	-66.42
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CO2)C=C1	REAL300012033045	0	40	0.0	-73.73	336.18	10.36	-63.37
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=NC=C2)C=C1	REAL300012033046	0	42	0.0	-78.75	350.28	10.45	-68.30
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(Cl)O2)C=C1	REAL300012033047	0	40	0.0	-77.32	353.25	10.98	-66.34
CN(CCC#N)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033048	0	55	0.0	-78.00	449.59	14.06	-63.94
CCOC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1OC	REAL300012033049	0	54	0.0	-74.92	440.37	12.67	-62.25
C#CCOC1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033050	0	49	0.0	-74.52	416.04	13.23	-61.29
CC1=NOC(C)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033051	0	45	0.0	-79.34	372.54	10.99	-68.35
CC1=NC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CS1	REAL300012033052	1	42	0.0	-74.51	366.81	10.11	-64.40
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC2=C1OCO2	REAL300012033053	0	50	0.0	-89.65	415.85	10.33	-79.32
CN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012033055	0	43	0.0	-76.52	358.23	10.01	-66.51
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1C	REAL300012033056	0	50	0.0	-75.93	404.99	12.25	-63.68
CC(C)(C)C1=NNC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033057	0	52	0.0	-73.40	402.92	11.09	-62.31
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COC1=CC=CC(OC)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033059	1	51	0.0	-64.87	411.72	10.92	-53.95
CN1C=CN=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033060	1	43	0.0	-77.39	355.95	10.60	-66.79
COC1=CC=C(F)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033061	0	47	0.0	-72.39	389.41	11.54	-60.85
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COC1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033067	0	47	0.0	-71.88	389.95	11.64	-60.24
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NC(=O)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033069	0	47	0.0	-84.31	389.95	8.99	-75.32
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC=C1F	REAL300012033070	0	47	0.0	-82.83	391.14	11.57	-71.26
COC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033071	0	47	0.0	-70.88	400.28	12.08	-58.80
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CN1C=NC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033073	0	43	0.0	-76.35	355.55	11.35	-65.00
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COC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC=C1C	REAL300012033076	0	50	0.0	-76.04	404.99	12.25	-63.79
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CSC=N2)C=C1	REAL300012033077	1	39	0.0	-72.63	340.05	9.22	-63.41
CC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1F	REAL300012033078	0	46	0.0	-76.59	386.11	13.06	-63.53
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CN1N=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033082	0	43	0.0	-79.56	356.05	9.78	-69.78
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(Br)C=N2)C=C1	REAL300012033083	0	42	0.0	-76.65	371.70	10.99	-65.66
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CC1=NN(C)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033090	0	46	0.0	-74.66	377.87	10.61	-64.05
CCN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012033091	0	46	0.0	-76.19	379.76	10.88	-65.31
CN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N=N1	REAL300012033092	1	42	0.0	-80.73	352.24	8.73	-72.00
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CN1C=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012033094	1	43	0.0	-73.21	358.30	9.93	-63.28
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NC=CN2CC(F)(F)F)C=C1	REAL300012033095	1	46	0.0	-79.05	392.63	11.71	-67.34
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2CCCCCCC2)C=C1	REAL300012033096	0	55	0.0	-76.56	402.89	13.58	-62.98
CC1=CSC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012033097	1	42	0.0	-71.86	362.02	9.95	-61.91
COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1F	REAL300012033098	0	47	0.0	-80.06	395.11	11.72	-68.34
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C3CCCC3=C2)C=C1	REAL300012033099	0	50	0.0	-73.42	400.92	14.13	-59.29
CC(C)COC1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033101	0	56	0.0	-73.31	451.85	14.18	-59.13
CCN1N=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033102	0	46	0.0	-76.23	373.11	10.75	-65.48
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NC3=C(CCCC3)S2)C=C1	REAL300012033103	1	49	0.0	-71.36	403.96	11.96	-59.40
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=CC=NC=C3C=C2)C=C1	REAL300012033104	0	48	0.0	-81.12	396.41	12.70	-68.42
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)SC=N1	REAL300012033105	0	42	0.0	-75.40	359.34	9.97	-65.43
COC1=CC(F)=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033106	0	47	0.0	-82.40	396.16	11.76	-70.64
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012033107	0	53	0.0	-80.46	427.04	12.16	-68.30
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=CS1	REAL300012033108	0	43	0.0	-69.27	362.64	11.94	-57.33
CS(=O)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033109	0	48	0.0	-85.17	407.62	10.80	-74.37
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C3CCCCC3=C2)C=C1	REAL300012033110	0	53	0.0	-73.07	418.10	14.71	-58.36
N#CC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012033111	0	43	0.0	-84.39	376.19	10.86	-73.53
COC(=O)C1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CN1	REAL300012033112	0	47	0.0	-79.64	397.07	10.64	-69.00
COCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)O1	REAL300012033113	0	47	0.0	-79.14	396.57	10.41	-68.73
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C)=C1OC	REAL300012033114	0	54	0.0	-83.04	434.02	12.30	-70.74
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CSC(Cl)=C2Cl)C=C1	REAL300012033115	1	40	0.0	-72.65	376.38	12.22	-60.43
CC1=NC(F)=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033116	0	45	0.0	-82.90	371.76	10.95	-71.95
COC1=CC(C)=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033117	0	50	0.0	-68.40	404.97	12.24	-56.16
CC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CS1	REAL300012033118	0	43	0.0	-73.20	367.28	11.96	-61.24
CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N=N1	REAL300012033119	0	44	0.0	-80.61	371.74	10.10	-70.51
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=C(C(F)(F)F)S2)C=C1	REAL300012033120	0	42	0.0	-83.00	381.49	10.63	-72.37
CN1N=NC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033121	0	42	0.0	-84.92	350.13	8.59	-76.33
CS(=O)(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033122	0	49	0.0	-83.61	416.11	9.72	-73.89
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(Cl)=CS2)C=C1	REAL300012033123	0	40	0.0	-71.48	362.51	11.83	-59.65
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C3CCCC3)C=C2)C=C1	REAL300012033124	0	56	0.0	-72.87	439.57	15.43	-57.44
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N(C)N=C1	REAL300012033125	0	46	0.0	-79.38	376.35	10.40	-68.98
CC1=CC(Cl)=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033126	0	46	0.0	-76.62	393.55	13.37	-63.25
COCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033127	0	50	0.0	-75.64	410.48	11.94	-63.70
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NC=CN2C2=CC=CC=C2)C=C1	REAL300012033128	1	50	0.0	-69.56	413.04	13.89	-55.67
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C3CC3)C=C2)C=C1	REAL300012033129	0	50	0.0	-73.57	404.63	14.32	-59.25
C=CN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012033131	0	44	0.0	-78.49	370.02	11.22	-67.27
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=NN2C2CCCC2)C=C1	REAL300012033132	0	53	0.0	-77.99	421.56	12.73	-65.26
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033133	0	53	0.0	-77.68	434.12	14.03	-63.65
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C(F)F)C=C2)C=C1	REAL300012033134	0	46	0.0	-82.00	392.43	13.26	-68.74
COC1=CC(C)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C)=N1	REAL300012033135	0	52	0.0	-78.97	416.26	9.96	-69.01
COC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033136	1	47	0.0	-65.75	397.63	11.98	-53.77
CCC1=CC(OC)=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033137	0	53	0.0	-74.58	418.30	12.79	-61.79
CC1=NC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N1C1=CC=CC=C1	REAL300012033138	0	53	0.0	-70.36	434.44	14.49	-55.87
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=NN1C	REAL300012033139	0	46	0.0	-71.78	375.00	10.48	-61.30
CCCN1N=C(C)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1C	REAL300012033140	0	55	0.0	-79.76	444.42	12.75	-67.01
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=C(C3CC3)N=C2)C=C1	REAL300012033141	0	48	0.0	-81.27	397.40	11.87	-69.40
COCCN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012033142	0	50	0.0	-77.58	413.43	9.92	-67.66
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C3CCC3)C=C2)C=C1	REAL300012033143	0	53	0.0	-77.32	425.98	14.98	-62.34
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300012033144	0	53	0.0	-78.71	429.89	13.81	-64.90
CCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1F	REAL300012033145	0	50	0.0	-80.54	413.00	12.51	-68.03
COC1=CC=CC2=C(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)C=CC=C12	REAL300012033146	0	53	0.0	-82.02	429.62	13.88	-68.14
N#CC1=CSC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033147	0	41	0.0	-79.19	366.66	11.74	-67.45
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC=C1C#N	REAL300012033148	0	48	0.0	-89.02	405.12	11.91	-77.11
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033149	0	53	0.0	-75.94	430.23	14.07	-61.87
CC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC=C1C#N	REAL300012033151	0	47	0.0	-85.10	395.42	13.10	-72.00
CC1=CN=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012033152	1	42	0.0	-71.41	362.13	10.16	-61.25
CC(C)CN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012033153	0	52	0.0	-75.57	421.08	12.41	-63.16
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC=C2C2CC2)C=C1	REAL300012033154	0	50	0.0	-76.37	403.20	14.40	-61.97
CCC1=CN=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012033155	1	45	0.0	-71.28	383.62	10.94	-60.34
CC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033156	0	50	0.0	-78.48	419.53	12.70	-65.78
CC1=NN(C(C)C)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033157	0	52	0.0	-73.97	418.08	12.00	-61.97
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=C(C3CCCC3)S2)C=C1	REAL300012033158	0	52	0.0	-71.54	427.32	12.86	-58.68
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=C(C3CC3)S2)C=C1	REAL300012033159	0	46	0.0	-72.12	393.32	11.86	-60.26
CC(C)C1=NC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012033160	0	48	0.0	-74.72	404.40	11.54	-63.18
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CO3)S2)C=C1	REAL300012033161	0	46	0.0	-75.65	403.20	11.32	-64.33
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)C=C2)C=N1	REAL300012033162	0	53	0.0	-78.94	435.53	13.51	-65.43
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN(CC(F)F)N=C2)C=C1	REAL300012033163	0	46	0.0	-79.48	392.74	11.17	-68.31
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N1	REAL300012033164	0	51	0.0	-85.77	413.32	10.43	-75.34
NC(=O)C1=CSC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033165	0	44	0.0	-77.46	381.74	8.09	-69.37
CCC1=NN(C)C(CC)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033166	0	55	0.0	-81.08	445.11	12.62	-68.46
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=C(C3CCC3)S2)C=C1	REAL300012033167	0	49	0.0	-71.56	409.96	12.34	-59.22
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=C(C3CCCO3)S2)C=C1	REAL300012033168	0	50	0.0	-77.26	419.16	10.45	-66.81
CC1=CC=CC=C1N1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N=N1	REAL300012033169	1	52	0.0	-80.13	428.99	12.97	-67.16
CCOC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033170	0	50	0.0	-72.83	422.82	13.11	-59.72
CCC1=CC=CC(F)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033171	0	49	0.0	-68.39	395.31	13.51	-54.88
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NN(C(F)F)C=C2)C=C1	REAL300012033172	1	43	0.0	-76.87	371.67	10.12	-66.75
CC(C)C1=CN=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012033173	1	48	0.0	-71.10	403.99	11.57	-59.53
CC(C)(C)C1=CN=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012033174	1	51	0.0	-70.94	421.77	12.01	-58.93
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(C3CC3)N=CS2)C=C1	REAL300012033175	0	46	0.0	-75.63	390.92	11.65	-63.98
COC(=O)C1=C(C)N(C)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033176	0	53	0.0	-81.55	433.45	12.73	-68.82
COCCCN1N=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033177	0	53	0.0	-78.92	428.29	10.58	-68.34
CC1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(Cl)=C1	REAL300012033178	1	46	0.0	-66.53	396.18	13.30	-53.23
CSCC1=CN=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012033179	1	46	0.0	-73.39	406.85	11.38	-62.01
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CSC=C2C(F)(F)F)C=C1	REAL300012033180	0	43	0.0	-68.03	375.30	12.19	-55.84
CCN1N=C(C)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012033181	1	48	0.0	-76.87	394.59	9.81	-67.06
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(C3CC3)=C2)C=C1	REAL300012033182	0	50	0.0	-73.60	404.62	14.31	-59.29
CC1=NN(C)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033183	0	46	0.0	-77.77	377.96	10.37	-67.40
N#CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1F	REAL300012033184	0	44	0.0	-89.13	382.17	12.64	-76.49
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C=C1	REAL300012033185	0	46	0.0	-90.51	399.82	11.49	-79.02
CC1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(F)=C1	REAL300012033186	1	46	0.0	-67.78	387.44	12.92	-54.86
CC(C)CN1N=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033187	0	52	0.0	-76.37	413.00	12.30	-64.07
COC(=O)C1=C(C)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CN1	REAL300012033188	0	50	0.0	-79.73	412.99	11.24	-68.49
CC(C)(C#N)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033189	0	53	0.0	-79.08	432.03	14.16	-64.92
CC(C)C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033190	0	52	0.0	-76.02	414.13	14.18	-61.84
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NN3CCCCC3=C2)C=C1	REAL300012033191	1	50	0.0	-74.90	404.84	11.73	-63.17
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=NN2C2=CC=CC=C2)C=C1	REAL300012033192	0	49	0.0	-82.00	405.83	11.85	-70.15
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=CN=CC=C3O2)C=C1	REAL300012033193	0	45	0.0	-84.07	382.86	11.18	-72.89
COC1=CC(OC)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1F	REAL300012033194	0	51	0.0	-79.53	424.00	11.13	-68.40
COC1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1OC	REAL300012033195	0	51	0.0	-79.54	423.44	11.64	-67.90
CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(Cl)=C1	REAL300012033196	0	46	0.0	-75.18	394.36	13.50	-61.68
CCC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033197	0	49	0.0	-73.04	398.30	13.64	-59.40
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(F)=C1	REAL300012033198	0	47	0.0	-73.10	390.47	11.53	-61.57
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC3=C2CCC3)C=C1	REAL300012033199	0	50	0.0	-77.01	404.55	14.22	-62.79
COC1=CC=CC(F)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033200	1	47	0.0	-69.91	393.73	11.78	-58.13
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C)=C1	REAL300012033201	0	56	0.0	-74.73	443.04	13.87	-60.86
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=CC=NC=C3S2)C=C1	REAL300012033202	0	45	0.0	-80.25	387.54	11.97	-68.28
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C3CCCN3N=C2)C=C1	REAL300012033203	0	47	0.0	-77.83	381.90	10.81	-67.02
CCC1=C2OC(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)=CC2=CC=C1	REAL300012033204	0	52	0.0	-80.22	431.02	14.34	-65.88
C=CCCN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N=N1	REAL300012033205	1	49	0.0	-79.96	407.97	10.88	-69.08
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=NN2CC2CC2)C=C1	REAL300012033206	0	50	0.0	-76.46	404.94	12.28	-64.18
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(OC3CC3)=C2F)C=C1	REAL300012033207	0	51	0.0	-80.70	425.90	13.39	-67.31
CCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C)=C1	REAL300012033208	0	53	0.0	-79.32	426.40	13.24	-66.08
COC1=NC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033209	0	46	0.0	-77.90	386.00	9.16	-68.74
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(C3CCCC3)=C2)C=C1	REAL300012033210	0	56	0.0	-73.09	439.64	15.42	-57.67
COCC1=CSC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033211	0	47	0.0	-69.31	400.93	11.05	-58.26
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN(C3CCC3)N=N2)C=C1	REAL300012033212	1	49	0.0	-79.64	397.62	10.69	-68.95
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CSC(C(F)(F)F)=C2)C=C1	REAL300012033213	0	43	0.0	-84.63	390.84	12.53	-72.10
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)O2)C=C1	REAL300012033214	0	43	0.0	-80.36	377.34	11.58	-68.78
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(C(F)(F)F)SC=C2)C=C1	REAL300012033215	0	43	0.0	-66.53	377.12	12.28	-54.25
CN(C)C1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=CC(F)=C1F	REAL300012033216	0	51	0.0	-83.92	420.13	12.46	-71.46
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(F)C=CC(F)=C2Cl)C=C1	REAL300012033217	1	43	0.0	-70.28	380.62	12.69	-57.59
CN(C)C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1F	REAL300012033218	0	51	0.0	-79.28	425.62	11.98	-67.30
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(F)C(F)=C2F)C=C1	REAL300012033219	1	43	0.0	-84.40	377.37	12.56	-71.84
CCCN1N=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033220	0	49	0.0	-76.12	394.61	11.51	-64.61
CN1N=C(C(F)(F)F)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033221	0	46	0.0	-84.28	397.39	10.77	-73.51
CCCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012033222	0	49	0.0	-71.98	410.51	13.68	-58.30
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C=C1	REAL300012033223	0	50	0.0	-81.20	427.60	15.01	-66.19
CC(C)C1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033224	0	52	0.0	-73.00	415.63	14.13	-58.87
CN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(Cl)=N1	REAL300012033225	1	43	0.0	-71.91	374.81	10.44	-61.47
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(CC3CCC3)=C2)C=C1	REAL300012033226	0	56	0.0	-72.90	446.46	15.73	-57.17
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC=C1Cl	REAL300012033227	0	47	0.0	-80.84	400.95	12.06	-68.78
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=NN2CC2CCC2)C=C1	REAL300012033228	0	53	0.0	-79.17	426.34	12.76	-66.41
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC=C2CC(F)(F)F)C=C1	REAL300012033229	0	49	0.0	-73.15	404.59	13.79	-59.36
CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(F)=C1	REAL300012033230	0	46	0.0	-76.72	387.21	13.10	-63.62
CC(=O)NC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033231	0	50	0.0	-83.95	411.75	11.10	-72.85
CN1N=CC2=CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)=CN=C21	REAL300012033232	0	48	0.0	-90.44	404.53	11.52	-78.92
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C=C1	REAL300012033233	0	49	0.0	-80.44	421.24	14.19	-66.25
CN1N=C2CCCCC2=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033234	0	53	0.0	-79.96	419.63	12.21	-67.75
CC1=C(C)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CS1	REAL300012033235	0	46	0.0	-69.11	381.98	12.55	-56.56
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=C(Cl)C(F)=C2)C=C1	REAL300012033236	0	42	0.0	-86.46	373.00	10.90	-75.56
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)C=C1	REAL300012033237	0	49	0.0	-84.93	406.77	14.56	-70.37
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CN=C2Br)C=C1	REAL300012033238	1	42	0.0	-76.45	370.76	11.09	-65.36
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033239	0	53	0.0	-75.42	434.55	13.37	-62.05
CCOC1=CC(F)=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033240	0	50	0.0	-78.00	413.18	12.50	-65.50
CC(C)(C)OC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033241	0	56	0.0	-72.96	436.86	13.36	-59.60
CC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033242	0	46	0.0	-80.55	389.73	13.38	-67.17
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C(F)C=C1C	REAL300012033243	0	50	0.0	-76.03	414.29	12.48	-63.55
CC(C)(C)C1=CSC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012033244	1	51	0.0	-71.55	421.01	11.94	-59.61
COCCC1=NC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012033245	0	49	0.0	-74.16	417.26	10.01	-64.15
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(F)=CC(F)=C2O)C=C1	REAL300012033246	1	44	0.0	-83.98	382.49	9.75	-74.23
CN1N=C2CCSCC2=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033247	0	51	0.0	-83.07	418.99	11.86	-71.21
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC3=C2CCOC3)C=C1	REAL300012033248	0	51	0.0	-79.73	407.07	12.36	-67.37
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C3OC(=O)OC3=C2)C=C1	REAL300012033249	0	45	0.0	-91.35	383.17	12.76	-78.59
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC3=NC=CC=C23)C=C1	REAL300012033250	0	48	0.0	-85.70	396.34	12.64	-73.06
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1C	REAL300012033251	0	56	0.0	-75.59	448.34	13.98	-61.61
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=NC=CN=C3C=C2)C=C1	REAL300012033252	0	47	0.0	-82.12	391.45	10.63	-71.49
CCOC1=CC=CC(F)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033253	1	50	0.0	-65.45	410.74	12.52	-52.93
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=CC=C1[N+](=O)[O-]	REAL300012033254	0	48	0.0	-92.19	398.79	13.44	-78.75
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033255	0	51	0.0	-90.42	416.97	13.93	-76.49
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(F)=C1OC	REAL300012033256	0	51	0.0	-84.04	428.29	11.73	-72.31
COC(=O)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(F)=C1	REAL300012033257	0	49	0.0	-79.86	415.75	12.89	-66.97
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC(F)F)C=C1	REAL300012033258	0	50	0.0	-75.93	423.26	13.01	-62.92
CC1=COC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033259	0	43	0.0	-73.72	358.08	11.04	-62.68
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(Cl)C=N2)C=C1	REAL300012033260	0	42	0.0	-76.54	367.13	10.89	-65.65
CC1=CC(C#N)=CC(C)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033261	0	50	0.0	-86.25	414.17	13.83	-72.42
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN(CCF)N=C2)C=C1	REAL300012033263	0	46	0.0	-78.96	386.34	11.02	-67.94
CCCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033265	0	52	0.0	-76.97	424.61	14.61	-62.36
CC1=C2C=C(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)C=NC2=NN1	REAL300012033266	0	48	0.0	-90.46	398.48	10.73	-79.73
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NC=CS2)C=C1	REAL300012033267	1	39	0.0	-71.75	340.22	9.36	-62.39
CN1N=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300012033268	0	49	0.0	-74.72	405.37	12.14	-62.58
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C3C=CC=CC3=NN2)C=C1	REAL300012033269	0	46	0.0	-85.69	382.31	10.82	-74.87
CN1C(Cl)=NC(Cl)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033270	1	43	0.0	-81.89	388.88	11.50	-70.39
CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012033271	0	46	0.0	-67.52	388.99	12.90	-54.62
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NC=CC3=CC=CC=C32)C=C1	REAL300012033272	0	48	0.0	-77.14	397.97	12.68	-64.46
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N2C=CC=CC2=N1	REAL300012033273	0	49	0.0	-82.03	402.80	13.20	-68.83
CCC1=NC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012033274	0	45	0.0	-71.92	383.59	10.93	-60.99
COC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)SC=C1	REAL300012033275	0	44	0.0	-63.99	375.53	10.63	-53.36
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C=C1	REAL300012033276	0	49	0.0	-82.38	411.60	10.46	-71.92
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CSC=C2Cl)C=C1	REAL300012033277	0	40	0.0	-69.26	360.07	11.62	-57.64
CC1=NN2C(=NC(C)=C2C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012033278	0	48	0.0	-75.18	409.75	11.39	-63.79
CCCC(C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300012033279	0	55	0.0	-71.43	433.81	14.86	-56.57
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2CC3CCC2C3)C=C1	REAL300012033280	0	50	0.0	-76.38	385.53	13.04	-63.34
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(F)N=C2)C=C1	REAL300012033281	0	42	0.0	-84.46	356.67	10.38	-74.08
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)S2)C=C1	REAL300012033282	0	43	0.0	-74.77	386.28	12.52	-62.25
CC1(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)CCC1	REAL300012033283	0	46	0.0	-73.93	364.11	12.07	-61.86
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2(C(F)F)CC2)C=C1	REAL300012033284	0	43	0.0	-81.05	359.93	11.96	-69.09
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)NN=C1	REAL300012033285	0	43	0.0	-78.87	354.48	9.25	-69.62
CC1=CNN=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033285	1	43	0.0	-72.99	356.24	9.24	-63.75
CC1=CN=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N1C	REAL300012033286	1	46	0.0	-77.27	375.75	11.07	-66.20
CC(C)C1CCC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300012033287	0	58	0.0	-71.87	425.30	14.02	-57.85
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033288	0	53	0.0	-78.78	431.51	13.17	-65.61
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CON=C2CC2=CC=CC=C2)C=C1	REAL300012033289	0	52	0.0	-84.44	431.20	13.95	-70.49
CCC1=NOC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033290	0	45	0.0	-77.84	372.77	10.99	-66.85
CN1N=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1Cl	REAL300012033291	1	43	0.0	-70.61	374.02	10.35	-60.26
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=CC=CN=C3O2)C=C1	REAL300012033292	0	45	0.0	-82.70	378.08	9.69	-73.01
CC1=CN=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033293	0	45	0.0	-81.75	370.41	11.23	-70.52
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C=C1	REAL300012033294	0	45	0.0	-83.32	394.85	10.19	-73.13
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C=C1	REAL300012033295	0	50	0.0	-70.37	404.60	14.34	-56.03
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=NC=C2Br)C=C1	REAL300012033296	1	42	0.0	-79.81	371.91	11.16	-68.65
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=NN2C2=CC=CC=N2)C=C1	REAL300012033297	0	49	0.0	-72.67	407.62	12.91	-59.76
CC(C)N1C=CN=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033299	1	49	0.0	-76.08	396.29	12.03	-64.05
CN1N=CC(C(F)(F)F)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033300	0	46	0.0	-79.99	393.10	10.81	-69.18
CN1N=CC(C2CC2)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033301	0	50	0.0	-79.55	406.15	11.86	-67.69
CN1N=CC(C2CCC2)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033302	0	53	0.0	-79.95	422.52	12.36	-67.59
CC1=NC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N1C	REAL300012033303	0	46	0.0	-76.66	375.94	11.17	-65.49
CC1=C2C=C(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)NC2=CC=C1	REAL300012033304	0	50	0.0	-75.47	408.24	12.80	-62.67
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=NN2C2=CC=NC=C2)C=C1	REAL300012033305	0	49	0.0	-76.43	406.42	11.36	-65.07
CC1=CC=C2C=C(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)NC2=C1	REAL300012033306	0	50	0.0	-75.38	408.66	12.82	-62.56
CC1=NC=CN=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033307	0	44	0.0	-78.57	367.22	9.20	-69.37
CCOC1=CN=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033308	0	49	0.0	-78.37	401.70	10.61	-67.76
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=NC=C2Cl)C=C1	REAL300012033309	0	42	0.0	-80.32	368.34	11.07	-69.25
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=NN2C2CCOCC2)C=C1	REAL300012033310	0	54	0.0	-80.96	431.06	10.85	-70.11
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC3=NNC=C32)C=C1	REAL300012033311	0	46	0.0	-84.67	381.53	10.92	-73.75
CCC(F)(F)C(C)(C)C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033312	0	51	0.0	-71.04	394.92	12.59	-58.45
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=NC(F)=C2)C=C1	REAL300012033313	0	42	0.0	-84.84	356.71	10.39	-74.45
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C3C=CNC3=C2)C=C1	REAL300012033314	0	47	0.0	-76.61	386.77	12.24	-64.37
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=C(C=CNC3=O)O2)C=C1	REAL300012033315	1	46	0.0	-83.92	388.04	9.70	-74.22
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C(F)F)N=C2)C=C1	REAL300012033316	0	45	0.0	-83.16	383.42	11.33	-71.83
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033317	0	52	0.0	-80.46	433.36	12.81	-67.65
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN(CC3CCOC3)N=N2)C=C1	REAL300012033318	1	53	0.0	-82.98	429.88	9.68	-73.30
COC1=CN=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1C	REAL300012033319	0	49	0.0	-81.77	398.76	10.55	-71.22
CC1=CC(C)=C(C=CC[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C)=C1	REAL300012033320	0	56	0.0	-75.86	445.44	15.34	-60.52
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN(CC3CCCO3)N=N2)C=C1	REAL300012033321	1	53	0.0	-80.66	430.44	9.81	-70.85
CCCN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N=N1	REAL300012033322	1	48	0.0	-80.29	395.15	10.33	-69.96
CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033323	0	51	0.0	-75.25	419.13	12.47	-62.78
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN(C3CC3)C=N2)C=C1	REAL300012033324	1	47	0.0	-74.02	391.60	13.05	-60.97
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C=C1	REAL300012033325	0	48	0.0	-85.83	402.82	12.66	-73.17
CC1=CC(C)=C(C=CC[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1C	REAL300012033326	0	56	0.0	-75.02	442.34	15.23	-59.79
CC1=NSC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033327	0	42	0.0	-74.36	361.96	10.63	-63.73
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033328	0	48	0.0	-87.28	409.59	7.17	-80.11
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=C(C3CC3)O2)C=C1	REAL300012033330	1	46	0.0	-77.37	384.15	9.52	-67.85
CCC1=CNC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012033331	1	46	0.0	-77.19	378.20	10.28	-66.91
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NC=CC3=C2CCCC3)C=C1	REAL300012033332	0	52	0.0	-74.52	413.19	12.89	-61.63
CC1=NN(C)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1Cl	REAL300012033333	1	46	0.0	-73.75	394.49	10.87	-62.88
CN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C2CCCC2)=N1	REAL300012033334	0	56	0.0	-77.56	443.75	13.12	-64.44
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C3OCCCC3=C2)C=C1	REAL300012033335	0	51	0.0	-76.10	409.11	12.85	-63.25
CN(C)C(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033336	0	53	0.0	-78.86	427.60	12.07	-66.79
CCC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(Cl)=NN1	REAL300012033337	1	46	0.0	-76.32	393.51	10.33	-65.99
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(C3CC3)NN=C2Cl)C=C1	REAL300012033338	1	47	0.0	-72.53	401.77	11.17	-61.36
CCC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C)=NO1	REAL300012033339	0	48	0.0	-83.44	394.95	11.98	-71.46
CCN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N=N1	REAL300012033340	1	45	0.0	-80.49	373.66	9.56	-70.93
CC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C2CCCCC2=N1	REAL300012033341	0	55	0.0	-79.56	428.00	13.39	-66.17
CCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)O1	REAL300012033342	0	47	0.0	-76.45	391.05	11.73	-64.72
CCN1C=NC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033344	1	46	0.0	-72.29	379.31	12.39	-59.90
CC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CN=C1F	REAL300012033345	0	45	0.0	-83.62	377.05	10.99	-72.63
CC1=CC(F)=NC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033346	0	45	0.0	-82.68	371.93	11.00	-71.68
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C(F)F)C(F)=C2)C=C1	REAL300012033347	0	46	0.0	-83.68	394.84	13.19	-70.49
COC(=O)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1C	REAL300012033348	0	52	0.0	-82.62	426.21	13.42	-69.20
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C)=C1	REAL300012033349	0	50	0.0	-79.52	404.54	12.31	-67.21
CC1CC2=CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)=CC=C2O1	REAL300012033350	0	51	0.0	-78.11	412.45	12.82	-65.29
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC3=C2OC(=O)N3)C=C1	REAL300012033351	0	46	0.0	-78.31	387.16	9.71	-68.60
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC3=C2OCC3)C=C1	REAL300012033352	0	48	0.0	-69.26	391.15	12.05	-57.21
CSCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033353	0	50	0.0	-75.26	421.54	14.10	-61.16
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN(CC3CCC3)N=C2)C=C1	REAL300012033354	0	53	0.0	-75.94	427.65	12.96	-62.98
CN1N=C2CCOCC2=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033355	0	51	0.0	-82.67	410.74	9.82	-72.85
CN1N=C2CCCC2=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033356	0	50	0.0	-84.22	406.97	11.86	-72.36
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=NN2C2CCC2)C=C1	REAL300012033357	0	50	0.0	-79.20	404.23	12.01	-67.19
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN(C3CCC3)N=C2)C=C1	REAL300012033358	0	50	0.0	-77.12	403.57	12.00	-65.12
COC1=CC=C(C)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033359	0	50	0.0	-77.12	404.56	12.31	-64.81
CN1C=NC2=CC=CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)=C21	REAL300012033360	0	49	0.0	-84.91	398.63	13.64	-71.27
CCC1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033361	0	49	0.0	-71.55	388.89	13.49	-58.06
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033362	0	53	0.0	-84.70	428.35	12.11	-72.59
CC1=CC(F)=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033363	0	46	0.0	-77.89	383.23	12.94	-64.95
CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C)=C1C	REAL300012033364	0	52	0.0	-75.88	409.81	14.12	-61.76
CCNC(=O)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033365	0	53	0.0	-84.12	433.37	11.33	-72.79
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033366	0	55	0.0	-70.72	412.15	14.54	-56.18
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=C3CCCCCN23)C=C1	REAL300012033367	0	53	0.0	-83.37	416.26	12.78	-70.59
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CON=C2C2CC2)C=C1	REAL300012033368	0	46	0.0	-80.42	383.52	11.83	-68.59
CCN1CCC2=CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)=CC=C21	REAL300012033369	0	55	0.0	-75.02	427.86	12.34	-62.68
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=NN1C(C)C	REAL300012033370	0	52	0.0	-70.98	417.41	12.05	-58.93
CSC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1Cl	REAL300012033371	0	47	0.0	-79.05	410.64	13.67	-65.38
CC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC=C1C1CC1	REAL300012033372	0	53	0.0	-73.46	422.44	14.82	-58.64
CCOC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC=N1	REAL300012033373	0	49	0.0	-80.09	404.36	9.85	-70.24
CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1C1CC1	REAL300012033374	0	53	0.0	-73.44	422.45	14.82	-58.62
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)O1	REAL300012033375	0	44	0.0	-76.67	369.18	10.79	-65.88
COCCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)O1	REAL300012033376	0	51	0.0	-78.33	424.66	10.97	-67.36
CC1=NN(C(C)C)C(C)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033377	0	55	0.0	-80.65	443.67	12.70	-67.95
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NN(CCF)C=C2)C=C1	REAL300012033378	1	46	0.0	-74.69	386.43	10.93	-63.76
CCN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C)=N1	REAL300012033379	0	49	0.0	-74.56	399.40	11.48	-63.08
CN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C2CC2)=N1	REAL300012033380	0	50	0.0	-82.06	415.12	12.37	-69.69
CN1N=C(C2CC2)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033381	0	50	0.0	-78.30	407.73	11.87	-66.43
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033382	0	53	0.0	-86.04	431.02	15.39	-70.65
CC(C)C1=NOC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033383	0	48	0.0	-77.71	393.64	11.51	-66.20
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=C(C3CCOCC3)O2)C=C1	REAL300012033384	1	53	0.0	-79.00	427.71	8.68	-70.32
COC1=NC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1F	REAL300012033385	1	46	0.0	-84.92	392.92	9.15	-75.77
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN3C=CN=C3S2)C=C1	REAL300012033386	0	43	0.0	-86.84	372.81	12.18	-74.66
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C(C(C)(C)C)O1	REAL300012033387	0	55	0.0	-69.43	438.14	13.77	-55.66
CC1=C(C)SC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012033388	1	45	0.0	-71.43	380.91	10.66	-60.77
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)C=C1	REAL300012033389	1	52	0.0	-82.38	433.58	12.55	-69.83
CC1OC2=CC=C(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)C=C2C1C	REAL300012033390	0	54	0.0	-77.90	428.81	13.31	-64.59
CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1OC(F)F	REAL300012033391	0	50	0.0	-75.10	414.75	12.53	-62.57
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CSN=C2)C=C1	REAL300012033392	0	39	0.0	-79.36	339.91	9.86	-69.50
CC(C)CC1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033393	0	55	0.0	-76.26	432.70	14.92	-61.34
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)NN=C1C(F)(F)F	REAL300012033395	0	46	0.0	-82.53	393.12	10.17	-72.36
CC(C)CN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N=N1	REAL300012033396	1	51	0.0	-80.04	414.94	11.07	-68.97
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NC(C3CC3)=CS2)C=C1	REAL300012033397	1	46	0.0	-72.19	391.06	11.43	-60.76
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(C(F)(F)F)=NN2)C=C1	REAL300012033398	0	43	0.0	-82.81	376.47	9.56	-73.25
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C3CCOC3=C2)C=C1	REAL300012033399	0	48	0.0	-75.54	391.26	12.06	-63.48
CSC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033401	0	47	0.0	-74.17	395.63	13.22	-60.95
CC(C)C1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)N(C)N=C1	REAL300012033402	0	52	0.0	-76.69	417.56	11.70	-64.99
CC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC(C)=N1	REAL300012033403	0	48	0.0	-79.16	393.52	11.66	-67.50
CCCN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C)=N1	REAL300012033404	0	52	0.0	-74.48	420.90	12.24	-62.24
CCN1C=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012033405	1	46	0.0	-72.83	379.84	10.80	-62.03
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=NC=CC=C3O2)C=C1	REAL300012033406	0	45	0.0	-80.85	378.05	10.93	-69.92
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(CC3CC3)S2)C=C1	REAL300012033408	0	50	0.0	-67.69	420.60	14.47	-53.22
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(OC3CC3)C=C2)C=C1	REAL300012033409	0	51	0.0	-77.02	416.12	13.18	-63.84
CNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033410	0	50	0.0	-78.52	411.89	10.48	-68.04
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C=C1	REAL300012033411	0	57	0.0	-74.06	450.37	16.24	-57.82
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033413	0	53	0.0	-78.05	433.38	11.32	-66.73
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)OC2=CC=C(F)C=C12	REAL300012033414	0	49	0.0	-79.26	410.13	13.44	-65.82
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(C3CCC3)=NN2)C=C1	REAL300012033415	0	50	0.0	-77.35	402.52	11.13	-66.22
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033416	0	53	0.0	-80.88	435.48	13.34	-67.54
CCCN1C=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012033417	1	49	0.0	-72.64	401.34	11.56	-61.08
CC(C)N1C=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012033418	1	49	0.0	-72.41	398.52	11.32	-61.09
CC(C)(C)C1=CN=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033419	0	54	0.0	-76.84	426.81	12.70	-64.14
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NN(CC(F)(F)F)C=C2)C=C1	REAL300012033420	1	46	0.0	-77.44	397.72	11.29	-66.15
CN1C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=NC2=C1CCCC2	REAL300012033421	1	53	0.0	-74.43	418.15	12.89	-61.54
COC1=NC(Cl)=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033422	0	46	0.0	-75.98	398.05	9.40	-66.58
CN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300012033423	0	46	0.0	-76.80	392.17	11.00	-65.80
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(C(F)F)=C2F)C=C1	REAL300012033424	0	46	0.0	-74.20	391.23	13.09	-61.11
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC3=C2COCC3)C=C1	REAL300012033425	0	51	0.0	-75.08	402.11	12.21	-62.87
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033426	0	50	0.0	-70.31	422.14	13.01	-57.30
COC1=NN(C)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033427	1	47	0.0	-73.54	391.12	7.95	-65.59
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NC3=C(COCC3)S2)C=C1	REAL300012033428	1	47	0.0	-73.91	394.85	9.55	-64.36
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=C(CCCC3)O2)C=C1	REAL300012033429	0	50	0.0	-73.60	399.72	13.05	-60.55
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C=C1	REAL300012033430	0	45	0.0	-89.07	390.03	12.96	-76.11
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN(C3CCCCC3)N=C2)C=C1	REAL300012033431	0	56	0.0	-75.43	440.07	13.27	-62.16
CN(CCO)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012033433	0	54	0.0	-77.56	434.99	9.77	-67.79
COC1=CC(C)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012033434	0	49	0.0	-79.04	397.69	9.53	-69.51
COC1=CC(C)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1O	REAL300012033435	0	51	0.0	-81.73	415.83	10.07	-71.66
CN1C(=O)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300012033436	0	52	0.0	-76.74	427.59	13.20	-63.54
COC1=NC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC=C1C	REAL300012033437	0	49	0.0	-77.81	407.53	9.78	-68.03
CCCN1C=NC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033438	0	49	0.0	-74.07	393.67	13.11	-60.96
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CNC2=O)C=C1	REAL300012033439	0	43	0.0	-75.08	363.86	9.31	-65.77
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC=CC2=CC=C3OCOC3=C2)C=C1	REAL300012033440	0	50	0.0	-80.96	412.51	12.17	-68.79
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(CC3CCC3)C=C2)C=C1	REAL300012033441	0	56	0.0	-72.75	446.52	15.74	-57.01
CCC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=NN1CC	REAL300012033442	0	52	0.0	-70.00	414.77	12.13	-57.87
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(F)C=CC(Cl)=C2F)C=C1	REAL300012033443	1	43	0.0	-71.05	382.20	12.76	-58.29
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(C3CC3)=NN2)C=C1	REAL300012033444	0	47	0.0	-77.62	387.00	10.68	-66.94
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=NN2C2CC2(F)F)C=C1	REAL300012033445	0	47	0.0	-83.65	399.10	11.77	-71.88
COC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=CS1	REAL300012033446	0	44	0.0	-68.54	377.00	10.64	-57.90
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C(F)(F)F)=CO1	REAL300012033447	0	46	0.0	-73.86	394.76	11.99	-61.87
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033448	0	49	0.0	-76.41	408.62	13.73	-62.68
CN1C=C(C2=NNC=C2C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012033449	0	50	0.0	-72.87	415.77	9.93	-62.94
CCCN1N=C(C)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1Cl	REAL300012033450	1	52	0.0	-77.76	441.68	12.66	-65.10
CC(C)(C#N)C1=NC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)S1	REAL300012033451	0	49	0.0	-79.21	422.10	11.55	-67.66
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(F)=CC(F)=C2F)C=C1	REAL300012033452	1	43	0.0	-80.81	377.44	12.58	-68.23
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C=C1	REAL300012033453	0	50	0.0	-75.97	420.97	14.64	-61.33
CC(C)(C)C1=NNC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033454	0	52	0.0	-76.08	417.38	11.05	-65.03
C=CCC1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033455	0	50	0.0	-76.91	407.30	14.26	-62.65
COCC1=CN=C(OC)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033456	0	53	0.0	-76.65	440.13	8.93	-67.72
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC=CC2=CC=CC=C2)C=C1	REAL300012033457	0	47	0.0	-74.61	386.45	13.52	-61.09
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN=NN2C2CC2)C=C1	REAL300012033458	0	46	0.0	-85.05	381.91	10.22	-74.83
COCC1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033459	0	50	0.0	-79.32	406.68	12.24	-67.08
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C3CCOCC3=C2)C=C1	REAL300012033460	0	51	0.0	-76.06	409.12	12.30	-63.76
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN(CCO)N=C2)C=C1	REAL300012033461	0	47	0.0	-79.06	391.17	7.52	-71.54
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C=C1	REAL300012033462	0	49	0.0	-85.52	410.04	10.38	-75.14
COC1=CC=C(F)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1OC	REAL300012033463	1	51	0.0	-68.84	420.68	11.54	-57.30
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC=CC2=CC=NC=C2)C=C1	REAL300012033464	0	46	0.0	-79.56	381.47	11.76	-67.80
CN1C=CC(C2=NNC=C2C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012033465	0	50	0.0	-71.09	415.66	10.28	-60.81
C=CC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033466	0	47	0.0	-74.19	386.53	13.30	-60.89
CC(F)(F)C1=CC=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033467	0	49	0.0	-73.42	399.82	13.89	-59.53
CCN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C2CC2)=N1	REAL300012033468	0	53	0.0	-81.67	436.66	13.24	-68.43
CC(C)(C)C1=NOC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033469	0	51	0.0	-77.40	398.91	12.03	-65.37
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=CN=CC=C3C=C2)C=C1	REAL300012033470	0	48	0.0	-81.57	396.41	12.70	-68.87
CC1=CC2=CC=CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)=C2O1	REAL300012033471	0	49	0.0	-71.71	404.64	13.35	-58.36
COC1=CSC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1OC	REAL300012033472	0	48	0.0	-71.35	408.17	10.26	-61.09
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CON=C2C2CCC2)C=C1	REAL300012033473	0	49	0.0	-78.20	400.10	12.29	-65.91
CS(=O)(=O)C1=COC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033474	1	46	0.0	-85.33	399.26	7.81	-77.52
CC(C)OC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1F	REAL300012033475	0	53	0.0	-80.31	431.00	13.16	-67.15
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(F)C(Cl)=C2F)C=C1	REAL300012033477	0	43	0.0	-82.77	386.83	12.99	-69.78
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(C(F)F)=C2)C=C1	REAL300012033478	0	46	0.0	-76.14	387.59	13.08	-63.06
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C=C1	REAL300012033479	0	49	0.0	-72.28	405.93	14.47	-57.81
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CSC(Cl)=C2)C=C1	REAL300012033480	0	40	0.0	-76.18	362.43	11.78	-64.40
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=NN1C1CCC1	REAL300012033481	0	53	0.0	-76.32	423.14	12.70	-63.62
CC1=NN(C2CCCC2)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033482	0	56	0.0	-78.36	443.50	13.30	-65.06
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=NN2CC(F)F)C=C1	REAL300012033483	0	46	0.0	-82.35	386.30	11.02	-71.33
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(F)C=CN=C2Cl)C=C1	REAL300012033484	1	42	0.0	-70.93	369.93	10.83	-60.10
CN(C)C1=CN=CC(F)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033485	1	50	0.0	-70.31	409.24	10.30	-60.01
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NN(C3CCC3)C=C2)C=C1	REAL300012033487	1	50	0.0	-74.69	408.47	12.08	-62.61
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NN(CC(F)F)C=C2)C=C1	REAL300012033488	1	46	0.0	-76.61	391.69	11.12	-65.49
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NN(C3CC3(F)F)C=C2)C=C1	REAL300012033489	1	47	0.0	-77.71	401.35	11.66	-66.05
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CN(C3CCOCC3)N=C2)C=C1	REAL300012033490	0	54	0.0	-77.19	430.83	10.86	-66.33
CC1=CN(C)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012033491	1	46	0.0	-74.63	377.01	11.18	-63.45
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NN(C3CCCC3)C=C2)C=C1	REAL300012033492	1	53	0.0	-72.23	421.19	12.57	-59.66
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=NC=C(Cl)C=C2Cl)C=C1	REAL300012033493	1	42	0.0	-73.83	386.09	11.47	-62.36
CC1=NSC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033494	0	42	0.0	-76.67	356.28	10.44	-66.23
CC1=NN(C2CCCC2)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033495	0	56	0.0	-73.73	440.74	13.25	-60.48
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC=C2C(F)F)C=C1	REAL300012033496	0	46	0.0	-73.78	382.94	13.35	-60.43
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=CNN=C3C=C2)C=C1	REAL300012033497	0	46	0.0	-82.13	381.66	10.93	-71.20
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(Cl)C(F)=C2F)C=C1	REAL300012033498	0	43	0.0	-82.91	387.26	13.00	-69.91
CC1=C(F)C=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033499	0	46	0.0	-81.87	380.99	12.98	-68.89
CN1C=C(C2=CC=CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])C=C3)=C2)C=N1	REAL300012033500	0	53	0.0	-78.25	435.54	13.49	-64.76
COC1=C(C#N)C=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033501	0	48	0.0	-79.95	405.18	12.02	-67.93
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=NC(Br)=C2)C=C1	REAL300012033502	0	42	0.0	-83.13	371.75	10.95	-72.18
CC1=NC(Cl)=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033503	0	45	0.0	-81.39	382.22	11.44	-69.95
COC1=CC(Cl)=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033504	0	47	0.0	-81.31	406.47	12.20	-69.11
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CC(F)=C1F	REAL300012033505	0	47	0.0	-87.13	397.43	11.64	-75.49
COC1=CC(C)=NC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033506	0	49	0.0	-71.94	400.62	10.41	-61.53
CC(C)N1C=NC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033507	1	49	0.0	-71.88	398.93	12.78	-59.10
CN1N=CC=C1C1=NNC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033508	0	50	0.0	-78.68	417.10	9.85	-68.83
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C2CC2)=NO1	REAL300012033509	0	49	0.0	-80.19	404.68	12.61	-67.58
COC(=O)C1=C(C)NC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1C	REAL300012033510	0	53	0.0	-83.25	438.14	11.96	-71.29
CC(C)OC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)O1	REAL300012033511	0	50	0.0	-76.28	411.34	12.44	-63.84
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(Cl)C=CC3=C2OCO3)C=C1	REAL300012033512	1	46	0.0	-68.42	395.49	11.28	-57.14
N#CC1=CC(F)=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033513	0	44	0.0	-86.23	382.68	12.66	-73.57
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C3CCCCC3)C=C2)C=C1	REAL300012033514	0	59	0.0	-72.73	457.26	16.03	-56.70
COC1=CC=CC=C1C=CC[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033515	0	51	0.0	-79.36	419.66	13.05	-66.31
CC1=NN(C2CCC2)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033516	0	53	0.0	-74.25	423.16	12.59	-61.66
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=NN1CC(F)F	REAL300012033517	0	49	0.0	-72.56	409.54	11.62	-60.94
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C=C1	REAL300012033518	0	51	0.0	-81.93	424.59	12.56	-69.37
CCCN1N=C(C)C(Cl)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033519	1	52	0.0	-73.14	437.79	12.49	-60.65
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033520	0	50	0.0	-83.83	418.73	11.47	-72.36
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C)=N1	REAL300012033521	0	49	0.0	-79.13	397.52	9.50	-69.63
CCN(C)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C)=C1	REAL300012033522	0	57	0.0	-71.46	443.50	14.20	-57.26
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(Cl)C(Cl)=CS2)C=C1	REAL300012033523	0	40	0.0	-70.60	376.87	12.25	-58.35
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=NS1	REAL300012033524	0	42	0.0	-75.09	358.15	10.64	-64.45
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033525	1	54	0.0	-64.81	433.13	11.58	-53.23
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=NO1	REAL300012033526	0	42	0.0	-80.06	350.67	10.47	-69.59
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(CF)C=C2)C=C1	REAL300012033527	0	46	0.0	-76.04	383.39	13.04	-63.00
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C3SC=CC3=C2)C=C1	REAL300012033528	0	46	0.0	-78.40	392.33	13.58	-64.82
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C=C1	REAL300012033529	0	52	0.0	-79.56	424.82	13.88	-65.68
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC=C2CO)C=C1	REAL300012033530	0	47	0.0	-80.81	384.42	9.84	-70.97
CC1=NSC(C)=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033531	0	45	0.0	-79.59	377.97	11.05	-68.54
CC(C)(C)C1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=NO1	REAL300012033532	0	51	0.0	-76.00	398.29	12.34	-63.66
CC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1C(F)(F)F	REAL300012033533	0	49	0.0	-74.45	401.59	13.83	-60.62
C=CCN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012033534	0	47	0.0	-77.70	392.56	11.43	-66.27
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC3=NNC=C3C=C2)C=C1	REAL300012033535	0	46	0.0	-78.03	381.66	10.93	-67.10
CCC(C)C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=C1	REAL300012033536	0	55	0.0	-76.95	438.90	14.98	-61.97
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=N1	REAL300012033537	0	48	0.0	-79.29	404.52	12.16	-67.13
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C=C1	REAL300012033538	0	53	0.0	-73.39	410.75	14.58	-58.81
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033539	0	50	0.0	-79.15	415.22	14.10	-65.05
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C=C1	REAL300012033540	0	49	0.0	-87.17	407.78	12.13	-75.04
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C=CC2=CC=CC=C21	REAL300012033541	0	52	0.0	-79.50	417.67	15.09	-64.41
COC1=C2C=CNC2=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033542	0	51	0.0	-77.71	421.16	11.81	-65.90
CC1=NC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C(C)S1	REAL300012033543	1	45	0.0	-69.97	380.90	10.63	-59.34
CCCN1N=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1C	REAL300012033544	0	52	0.0	-71.18	418.31	12.11	-59.07
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C2=NC=CC=C2C=C1	REAL300012033545	0	51	0.0	-71.16	415.99	13.47	-57.69
CC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=CN=C1N1C=CC=N1	REAL300012033546	0	52	0.0	-84.42	426.81	13.52	-70.90
COC(=O)C1=CN(C)C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012033547	0	50	0.0	-82.08	417.35	12.34	-69.74
CCCN1N=C(C)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])C=C1	REAL300012033548	0	52	0.0	-76.52	416.54	12.08	-64.44
CN1C=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)C(C2CCC2)=N1	REAL300012033549	0	53	0.0	-75.14	426.60	12.64	-62.50
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])C=C2)O1	REAL300012033550	1	51	0.0	-76.72	414.63	9.71	-67.01
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C)=C1	REAL300012033551	0	52	0.0	-71.21	388.57	8.37	-62.84
CC1=CC=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033552	0	52	0.0	-71.11	388.73	8.34	-62.77
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CN=C4C=C3)(C1)OC21CCOCC1	REAL300012033553	0	51	0.0	-79.37	391.89	7.31	-72.06
O=C([O-])C12CC(C[NH2+]CC3CC4C=CC3C4)(C1)OC21CCOCC1	REAL300012033554	0	51	0.0	-69.41	369.34	7.48	-61.93
O=C([O-])C12CC(C[NH2+]CC3CCCCC3)(C1)OC21CCOCC1	REAL300012033555	0	52	0.0	-70.15	372.46	7.34	-62.81
CC(C)(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033556	0	58	0.0	-71.71	428.77	9.37	-62.34
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=CC=C3)(C1)OC21CCOCC1	REAL300012033557	0	53	0.0	-75.13	407.10	6.79	-68.34
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)O3)(C1)OC21CCOCC1	REAL300012033558	0	43	0.0	-73.96	353.21	5.82	-68.14
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033559	0	56	0.0	-77.88	429.25	8.75	-69.13
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=C1OC	REAL300012033560	0	57	0.0	-79.29	433.13	7.17	-72.12
CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1C	REAL300012033561	0	52	0.0	-69.45	382.60	8.11	-61.34
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1C	REAL300012033562	0	52	0.0	-72.07	390.94	8.26	-63.81
CC(C)OC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033563	0	56	0.0	-67.37	420.20	8.00	-59.37
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4=CC=CC=C4)N=C3)(C1)OC21CCOCC1	REAL300012033564	0	56	0.0	-78.05	436.56	8.75	-69.30
CCC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C2=CC=CC=C2O1	REAL300012033565	0	55	0.0	-73.40	415.87	8.91	-64.49
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(Cl)=C1	REAL300012033566	0	50	0.0	-71.53	394.50	6.81	-64.72
N#CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033567	0	47	0.0	-81.75	371.62	7.33	-74.42
CC1=CC=C(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033568	0	56	0.0	-74.81	428.18	7.48	-67.33
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=CS3)(C1)OC21CCOCC1	REAL300012033569	0	50	0.0	-72.54	396.06	6.22	-66.32
O=C([O-])C12CC(C[NH2+]CC3=CSC4=CC=CC=C34)(C1)OC21CCOCC1	REAL300012033570	0	49	0.0	-75.59	389.42	8.43	-67.16
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4OC3)(C1)OC21CCOCC1	REAL300012033571	0	52	0.0	-76.43	397.49	7.51	-68.92
CC1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)O2)C=C1	REAL300012033572	0	56	0.0	-75.01	434.21	9.61	-65.40
CC1=CC=C(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)O1	REAL300012033573	0	53	0.0	-73.27	413.59	6.17	-67.10
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=CN=C3)(C1)OC21CCOCC1	REAL300012033574	0	52	0.0	-80.02	403.71	5.18	-74.84
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)S3)(C1)OC21CCOCC1	REAL300012033575	0	43	0.0	-75.48	359.59	6.81	-68.67
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=CC=CN=C43)(C1)OC21CCOCC1	REAL300012033576	0	51	0.0	-67.98	392.15	7.60	-60.38
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033577	0	55	0.0	-76.18	423.42	6.06	-70.12
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4C=CC=N4)C=C3)(C1)OC21CCOCC1	REAL300012033578	0	53	0.0	-81.27	410.93	8.25	-73.02
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4C=NC=N4)C=C3)(C1)OC21CCOCC1	REAL300012033579	0	52	0.0	-84.13	405.87	9.57	-74.56
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)O1	REAL300012033580	0	49	0.0	-72.53	376.67	6.80	-65.73
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC=C3F)(C1)OC21CCOCC1	REAL300012033581	0	46	0.0	-72.87	364.50	7.15	-65.72
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C=C3Cl)(C1)OC21CCOCC1	REAL300012033582	0	46	0.0	-73.59	371.43	7.59	-66.00
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(Cl)=C3)(C1)OC21CCOCC1	REAL300012033583	0	46	0.0	-81.88	375.12	7.61	-74.27
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033584	0	53	0.0	-72.21	402.12	7.17	-65.04
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1F	REAL300012033585	0	49	0.0	-76.52	379.25	7.77	-68.75
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC=C3Cl)(C1)OC21CCOCC1	REAL300012033586	0	46	0.0	-70.37	381.95	8.01	-62.36
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=C(F)C(F)=C3)(C1)OC21CCOCC1	REAL300012033587	0	46	0.0	-87.81	371.34	7.27	-80.54
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4S3)(C1)OC21CCOCC1	REAL300012033588	0	49	0.0	-74.56	389.71	8.63	-65.93
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C(F)=C3)(C1)OC21CCOCC1	REAL300012033589	0	46	0.0	-82.00	375.12	7.62	-74.38
O=C([O-])C12CC(C[NH2+]CC3=CC=CN=C3Cl)(C1)OC21CCOCC1	REAL300012033590	0	45	0.0	-74.50	359.28	5.71	-68.79
CC(C)C1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033591	0	55	0.0	-76.34	417.55	6.72	-69.62
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033592	0	55	0.0	-72.41	432.43	7.03	-65.38
COCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033593	0	57	0.0	-73.72	435.75	6.45	-67.27
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1Cl	REAL300012033594	0	50	0.0	-79.07	398.06	6.91	-72.16
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033595	0	58	0.0	-75.66	432.16	8.52	-67.14
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCCO4)(C1)OC21CCOCC1	REAL300012033596	0	52	0.0	-71.72	395.42	6.27	-65.45
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCCCO4)(C1)OC21CCOCC1	REAL300012033597	0	55	0.0	-71.77	410.62	6.97	-64.80
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033598	0	58	0.0	-76.40	438.36	9.13	-67.27
CCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033599	0	56	0.0	-72.29	423.62	7.97	-64.32
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=CS3)(C1)OC21CCOCC1	REAL300012033600	0	53	0.0	-72.66	416.81	9.53	-63.13
CC(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033601	0	56	0.0	-71.95	420.04	7.80	-64.15
CC(C)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CS1	REAL300012033602	0	51	0.0	-70.60	400.09	6.12	-64.48
CC(C)(C)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CS1	REAL300012033603	0	54	0.0	-70.29	419.03	6.63	-63.66
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)OC=C1	REAL300012033604	0	46	0.0	-72.36	353.82	5.81	-66.55
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CN=C1Cl	REAL300012033605	0	48	0.0	-80.69	381.27	6.18	-74.51
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)(C1)OC21CCOCC1	REAL300012033606	0	51	0.0	-72.28	397.95	7.62	-64.66
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)(C1)OC21CCOCC1	REAL300012033607	0	51	0.0	-70.49	398.49	7.69	-62.80
COC1=CC=C2OC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=CC2=C1	REAL300012033608	0	53	0.0	-76.79	408.12	6.76	-70.03
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=C(Cl)C=C3)(C1)OC21CCOCC1	REAL300012033609	0	50	0.0	-76.71	400.33	8.87	-67.84
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C2=CC=CC=C2O1	REAL300012033610	0	52	0.0	-76.28	400.82	8.19	-68.09
O=C([O-])C12CC(C[NH2+]CC3=COC4=CC=CC=C34)(C1)OC21CCOCC1	REAL300012033611	0	49	0.0	-76.46	380.44	7.43	-69.03
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4=CC=CC=C4)O3)(C1)OC21CCOCC1	REAL300012033612	0	54	0.0	-78.44	419.09	8.84	-69.60
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N=C1	REAL300012033613	0	48	0.0	-68.95	367.18	5.78	-63.17
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=C(F)C=C3F)(C1)OC21CCOCC1	REAL300012033614	0	50	0.0	-77.10	393.73	8.35	-68.75
O=C([O-])C12CC(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)(C1)OC21CCOCC1	REAL300012033615	0	53	0.0	-72.12	409.65	8.07	-64.05
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)SC=C3)(C1)OC21CCOCC1	REAL300012033616	0	43	0.0	-69.68	356.48	6.64	-63.04
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC4=C3OCC4)(C1)OC21CCOCC1	REAL300012033617	0	51	0.0	-70.80	405.01	7.41	-63.39
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)(C1)OC21CCOCC1	REAL300012033618	0	50	0.0	-80.84	390.71	7.10	-73.74
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)(C1)OC21CCOCC1	REAL300012033619	0	50	0.0	-81.37	390.62	7.09	-74.28
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012033620	0	52	0.0	-74.45	401.35	4.68	-69.77
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC2=CC=CN=C12	REAL300012033621	0	54	0.0	-80.62	413.56	8.28	-72.34
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=C1Cl	REAL300012033622	0	49	0.0	-75.29	386.22	8.05	-67.24
O=C([O-])C12CC(C[NH2+]CC3=CN=C4C=CSC4=C3)(C1)OC21CCOCC1	REAL300012033623	0	48	0.0	-79.02	382.63	6.43	-72.59
CCCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033624	0	55	0.0	-72.36	416.91	9.27	-63.09
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1C#N	REAL300012033625	0	51	0.0	-87.58	402.24	6.77	-80.81
O=C([O-])C12CC(C[NH2+]CC3=CC=C(SC(F)F)C=C3)(C1)OC21CCOCC1	REAL300012033626	0	50	0.0	-77.06	402.40	8.31	-68.75
CC1=CC(Cl)=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033627	0	52	0.0	-74.43	401.34	8.58	-65.85
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N=C1	REAL300012033628	0	52	0.0	-71.47	397.17	5.32	-66.15
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033629	0	52	0.0	-78.68	405.89	8.70	-69.98
C=CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033630	0	54	0.0	-72.55	415.02	7.76	-64.79
CC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1C	REAL300012033631	0	55	0.0	-70.88	405.78	8.87	-62.01
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4)S3)(C1)OC21CCOCC1	REAL300012033632	0	53	0.0	-74.34	420.17	9.86	-64.48
CC(C)(C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)C1=CC=CC=C1	REAL300012033633	0	55	0.0	-72.09	400.63	8.75	-63.34
CC1CCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300012033634	0	55	0.0	-70.65	386.26	7.73	-62.92
CC(CCC1=CC=CC=C1)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033635	0	58	0.0	-71.94	431.58	9.91	-62.03
CCC1CCCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300012033636	0	58	0.0	-70.70	411.89	8.57	-62.13
CCC1=CC=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033637	0	52	0.0	-65.58	400.86	8.58	-57.00
CC1=C(C)C=C2OC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=CC2=C1	REAL300012033638	0	55	0.0	-74.32	417.66	8.70	-65.62
CCCC1CCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300012033639	0	61	0.0	-70.25	433.02	9.36	-60.89
CC1CCCCC1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033640	0	55	0.0	-70.56	383.23	7.55	-63.01
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4C=CN=C4)C=C3)(C1)OC21CCOCC1	REAL300012033641	0	53	0.0	-82.77	408.54	9.43	-73.34
COC1=CC=C(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033642	0	53	0.0	-66.33	400.32	6.98	-59.35
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1F	REAL300012033643	0	50	0.0	-81.18	388.25	6.43	-74.75
O=C([O-])C12CC(C[NH2+]CC3CCC(C(F)(F)F)CC3)(C1)OC21CCOCC1	REAL300012033644	0	55	0.0	-76.09	409.84	8.26	-67.83
CC(C)C1CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CCO1	REAL300012033645	0	59	0.0	-73.21	415.79	6.83	-66.38
CC1(C)CCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300012033646	0	58	0.0	-70.01	405.75	8.16	-61.85
CCSC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033647	0	53	0.0	-72.35	412.44	8.80	-63.55
O=C([O-])C12CC(C[NH2+]CC3=C(O)C=CC(Cl)=C3F)(C1)OC21CCOCC1	REAL300012033648	1	47	0.0	-72.16	383.71	4.79	-67.37
COC1(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CCCCC1	REAL300012033649	0	56	0.0	-70.18	394.85	6.35	-63.83
CCN1N=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C2=CC=CC=C21	REAL300012033650	0	55	0.0	-72.41	422.52	7.73	-64.68
COCCC1(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CCCCC1	REAL300012033651	0	62	0.0	-70.81	430.15	7.19	-63.62
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033652	0	56	0.0	-74.91	425.43	8.07	-66.84
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4O3)(C1)OC21CCOCC1	REAL300012033653	0	49	0.0	-74.43	378.65	7.47	-66.96
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4)O3)(C1)OC21CCOCC1	REAL300012033654	0	53	0.0	-73.31	411.02	8.83	-64.48
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1[N+](=O)[O-]	REAL300012033655	0	51	0.0	-83.68	394.95	8.14	-75.54
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033656	0	56	0.0	-74.78	421.85	7.90	-66.88
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=C1F	REAL300012033657	0	49	0.0	-76.73	377.48	7.65	-69.08
O=C([O-])C12CC(C[NH2+]CC3=C4NC=CC4=CC=C3)(C1)OC21CCOCC1	REAL300012033658	0	50	0.0	-75.03	383.68	7.08	-67.95
CC(C)CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033659	0	58	0.0	-71.74	433.77	9.73	-62.01
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1[N+](=O)[O-]	REAL300012033660	0	52	0.0	-89.70	406.29	7.68	-82.02
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)(C1)OC21CCOCC1	REAL300012033661	0	46	0.0	-78.52	385.78	8.09	-70.43
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(Cl)=C3)(C1)OC21CCOCC1	REAL300012033662	0	46	0.0	-79.54	375.46	7.66	-71.88
CC1=CC=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033663	0	52	0.0	-70.16	384.62	8.09	-62.07
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CO3)(C1)OC21CCOCC1	REAL300012033664	0	43	0.0	-75.77	354.78	5.86	-69.91
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC(F)F)=C3)(C1)OC21CCOCC1	REAL300012033665	0	50	0.0	-76.36	390.02	6.53	-69.83
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C=C3F)(C1)OC21CCOCC1	REAL300012033666	0	46	0.0	-74.42	374.62	7.63	-66.79
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC=C3F)(C1)OC21CCOCC1	REAL300012033667	0	46	0.0	-72.07	374.82	7.60	-64.47
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(F)=C3)(C1)OC21CCOCC1	REAL300012033668	0	46	0.0	-80.55	365.14	7.22	-73.33
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Cl)=C3F)(C1)OC21CCOCC1	REAL300012033669	0	46	0.0	-74.20	374.27	7.59	-66.61
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C2=CC=CC=C12	REAL300012033670	0	56	0.0	-76.65	421.85	8.54	-68.11
O=C([O-])C12CC(C[NH2+]CC3=NNC=C3C3=CC=CC=C3)(C1)OC21CCOCC1	REAL300012033671	0	53	0.0	-69.72	409.90	6.98	-62.74
O=C([O-])C12CC(C[NH2+]CC3=C(C4=CC=CC=C4)C=NN3)(C1)OC21CCOCC1	REAL300012033671	1	53	0.0	-75.98	410.40	7.00	-68.98
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(F)=C3F)(C1)OC21CCOCC1	REAL300012033672	0	46	0.0	-75.44	364.38	7.15	-68.29
CN1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033673	0	52	0.0	-79.52	399.78	7.42	-72.10
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300012033674	0	49	0.0	-79.79	379.36	3.77	-76.02
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OCCC4=C3)(C1)OC21CCOCC1	REAL300012033675	0	51	0.0	-75.72	386.65	6.79	-68.93
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=CC=C4)=C3)(C1)OC21CCOCC1	REAL300012033676	0	56	0.0	-75.77	426.74	10.46	-65.31
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)(C1)OC21CCOCC1	REAL300012033677	0	57	0.0	-77.90	426.25	6.99	-70.91
O=C([O-])C12CC(C[NH2+]CC3=C4C=CNC4=CC=C3)(C1)OC21CCOCC1	REAL300012033678	0	50	0.0	-71.50	383.50	7.10	-64.40
CC1=CC(F)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033679	0	49	0.0	-76.87	373.52	7.77	-69.10
CC1=NC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012033680	0	48	0.0	-74.21	378.18	5.55	-68.66
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=CC=N4)=C3)(C1)OC21CCOCC1	REAL300012033681	0	55	0.0	-74.06	423.98	8.97	-65.09
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)(C1)OC21CCOCC1	REAL300012033682	0	55	0.0	-76.27	419.99	8.59	-67.68
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)(C1)OC21CCOCC1	REAL300012033683	0	55	0.0	-77.81	420.19	8.60	-69.21
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033684	0	61	0.0	-75.17	446.33	7.63	-67.54
CNC(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033685	0	53	0.0	-84.33	409.05	5.33	-79.00
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4C=C3)(C1)OC21CCOCC1	REAL300012033686	0	52	0.0	-75.64	398.64	9.31	-66.33
COC1=C2OC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=CC2=CC=C1	REAL300012033687	0	53	0.0	-76.17	408.14	6.77	-69.40
COC1=CC(OC)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033688	0	54	0.0	-75.03	411.32	5.69	-69.34
COC1=CC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)C=C2C=C1	REAL300012033689	0	56	0.0	-77.23	426.23	8.50	-68.73
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4NC3=O)(C1)OC21CCOCC1	REAL300012033691	0	52	0.0	-75.27	402.67	6.14	-69.13
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=C1SC	REAL300012033692	0	54	0.0	-79.46	421.44	7.40	-72.06
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NN3)(C1)OC21CCOCC1	REAL300012033693	0	53	0.0	-82.54	411.93	6.99	-75.55
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=CC=C4)N=N3)(C1)OC21CCOCC1	REAL300012033694	0	52	0.0	-80.26	405.43	6.89	-73.37
CN1C=NC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=CC=C21	REAL300012033695	0	52	0.0	-78.33	400.71	8.43	-69.90
CCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1C	REAL300012033696	0	55	0.0	-75.40	416.04	6.73	-68.67
CC1(C)CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=CC=C2O1	REAL300012033697	0	57	0.0	-77.29	429.73	8.32	-68.97
O=C([O-])C12CC(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)(C1)OC21CCOCC1	REAL300012033698	0	52	0.0	-75.59	408.98	5.52	-70.07
CC1=CC=CC(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033699	0	56	0.0	-75.66	430.21	7.60	-68.06
CC1=CC=C(F)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033700	0	49	0.0	-70.24	378.45	7.78	-62.46
CC1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033701	0	49	0.0	-75.22	373.72	7.75	-67.47
CC1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033702	0	48	0.0	-74.56	360.70	5.75	-68.81
CC(C)COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033703	0	59	0.0	-74.52	445.53	8.77	-65.75
COCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033704	0	57	0.0	-76.87	437.56	6.54	-70.33
CC1(C)CCCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300012033705	0	58	0.0	-70.68	406.43	8.23	-62.45
CC1=CCCC(C)C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033706	0	56	0.0	-70.98	393.45	8.01	-62.97
COC1=CC2=C(C=C1C[NH2+]CC13CC(C(=O)[O-])(C1)C1(CCOCC1)O3)OCO2	REAL300012033707	0	53	0.0	-74.46	406.43	5.10	-69.36
O=C([O-])C12CC(C[NH2+]CC3=CN=CC4=CC=CC=C43)(C1)OC21CCOCC1	REAL300012033708	0	51	0.0	-75.73	388.95	7.42	-68.31
CC(C)COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033709	0	59	0.0	-72.03	443.73	8.67	-63.36
CC1=CC(Cl)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033710	0	49	0.0	-75.73	383.84	8.21	-67.52
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=C(F)C=C3)(C1)OC21CCOCC1	REAL300012033711	0	50	0.0	-77.65	390.01	8.41	-69.24
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)N=C3)(C1)OC21CCOCC1	REAL300012033712	0	45	0.0	-82.55	364.03	5.72	-76.83
O=C([O-])C12CC(C[NH2+]CC3=CN=CC(Br)=C3)(C1)OC21CCOCC1	REAL300012033713	0	45	0.0	-79.34	368.69	5.87	-73.47
CN1N=NC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=CC=C21	REAL300012033714	0	51	0.0	-86.35	396.31	5.53	-80.82
O=C([O-])C12CC(C[NH2+]CC3CCCCCC3)(C1)OC21CCOCC1	REAL300012033715	0	55	0.0	-69.44	382.95	7.73	-61.71
CC1(C)CC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=C2O1	REAL300012033716	0	57	0.0	-67.97	429.53	8.30	-59.67
COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012033717	0	49	0.0	-74.55	379.49	3.75	-70.80
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C2=CC=CC=C2)=N1	REAL300012033718	0	56	0.0	-75.40	431.76	8.24	-67.16
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)(C1)OC21CCOCC1	REAL300012033719	0	53	0.0	-77.03	410.74	8.28	-68.75
CC(C)N1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300012033720	0	52	0.0	-73.54	393.78	6.14	-67.40
CC1=NC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)C=C2C=C1	REAL300012033721	0	54	0.0	-81.28	415.23	8.03	-73.25
O=C([O-])C12CC(C[NH2+]CC3=NC=CC=C3C(F)(F)F)(C1)OC21CCOCC1	REAL300012033722	0	48	0.0	-65.62	376.38	6.13	-59.49
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=C1N1C=NC=N1	REAL300012033723	0	55	0.0	-83.05	425.05	10.48	-72.57
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)(C1)OC21CCOCC1	REAL300012033724	0	49	0.0	-77.27	385.06	7.54	-69.73
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC(F)F)C=C3)(C1)OC21CCOCC1	REAL300012033725	0	53	0.0	-79.80	416.95	7.59	-72.21
COCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033726	0	53	0.0	-74.36	407.59	6.78	-67.58
CCCCOC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033727	0	59	0.0	-67.57	445.26	8.96	-58.61
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1OC	REAL300012033728	0	57	0.0	-77.89	426.05	6.86	-71.03
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CSC=C3)(C1)OC21CCOCC1	REAL300012033729	0	50	0.0	-75.80	399.24	5.94	-69.86
CC1CCC2=C(C1)SC(C[NH2+]CC13CC(C(=O)[O-])(C1)C1(CCOCC1)O3)=N2	REAL300012033730	0	55	0.0	-70.85	421.85	7.41	-63.44
CC(C)(C)C1CCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300012033731	0	64	0.0	-70.34	441.25	9.33	-61.01
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C(C)O1	REAL300012033732	0	49	0.0	-70.61	372.60	6.56	-64.05
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC4CC4)C=C3)(C1)OC21CCOCC1	REAL300012033733	0	57	0.0	-75.25	435.61	8.85	-66.40
CC(C)CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012033734	0	54	0.0	-74.10	418.93	7.02	-67.08
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)OC4=CC=CC=C43)(C1)OC21CCOCC1	REAL300012033735	0	49	0.0	-73.47	396.65	8.01	-65.46
COCCOC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033736	0	57	0.0	-67.87	435.88	6.65	-61.22
O=C([O-])C12CC(C[NH2+]CC3=NC4=C(CCC4)S3)(C1)OC21CCOCC1	REAL300012033737	0	49	0.0	-71.63	383.15	6.22	-65.41
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033738	0	50	0.0	-75.14	382.08	6.34	-68.80
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)O1	REAL300012033739	0	46	0.0	-72.66	354.99	6.04	-66.62
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3)(C1)OC21CCOCC1	REAL300012033740	0	46	0.0	-72.02	352.57	7.04	-64.98
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012033741	0	54	0.0	-73.79	419.37	6.85	-66.94
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OCCOC4=C3)(C1)OC21CCOCC1	REAL300012033742	0	52	0.0	-77.53	397.03	6.21	-71.32
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Br)=C3)(C1)OC21CCOCC1	REAL300012033743	0	46	0.0	-74.30	372.06	7.56	-66.74
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Cl)=C3)(C1)OC21CCOCC1	REAL300012033744	0	46	0.0	-74.25	367.49	7.46	-66.79
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=CC=C4)N=C3)(C1)OC21CCOCC1	REAL300012033745	0	53	0.0	-77.42	409.59	8.16	-69.26
CC(C)(C)N1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300012033746	0	55	0.0	-73.74	413.54	6.77	-66.97
CC1=CC(C)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033747	0	52	0.0	-72.41	395.14	8.40	-64.01
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CO)O3)(C1)OC21CCOCC1	REAL300012033748	0	47	0.0	-75.78	366.59	2.68	-73.10
O=C([O-])C12CC(C[NH2+]CC3=CC=CS3)(C1)OC21CCOCC1	REAL300012033749	0	43	0.0	-71.29	342.55	6.19	-65.10
CC(=O)NC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033750	0	53	0.0	-78.94	408.94	5.93	-73.01
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3Cl)(C1)OC21CCOCC1	REAL300012033751	0	46	0.0	-68.79	364.19	7.56	-61.23
O=C([O-])C12CC(C[NH2+]CC3=CC=CC([N+](=O)[O-])=C3)(C1)OC21CCOCC1	REAL300012033752	0	48	0.0	-85.74	378.98	7.62	-78.12
O=C([O-])C12CC(C[NH2+]CC3=CC=C([N+](=O)[O-])C=C3)(C1)OC21CCOCC1	REAL300012033753	0	48	0.0	-89.34	380.80	7.72	-81.62
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=CC=CC=C43)(C1)OC21CCOCC1	REAL300012033754	0	52	0.0	-74.03	393.53	9.20	-64.83
CN(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033755	0	54	0.0	-71.74	405.10	7.47	-64.27
CCN(CC)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033756	0	60	0.0	-70.82	447.71	9.35	-61.47
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C=C3)(C1)OC21CCOCC1	REAL300012033757	0	46	0.0	-76.98	373.87	7.67	-69.31
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C=C3)(C1)OC21CCOCC1	REAL300012033758	0	46	0.0	-76.80	369.31	7.57	-69.23
O=C([O-])C12CC(C[NH2+]CC3=C(F)C=CC=C3Cl)(C1)OC21CCOCC1	REAL300012033759	0	46	0.0	-65.57	371.68	7.51	-58.06
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C=C3)(C1)OC21CCOCC1	REAL300012033760	0	46	0.0	-77.94	358.99	7.11	-70.83
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3OC(F)F)(C1)OC21CCOCC1	REAL300012033761	0	50	0.0	-73.35	390.16	6.73	-66.62
COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1OC	REAL300012033762	0	54	0.0	-71.72	411.31	6.32	-65.40
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C=C3Cl)(C1)OC21CCOCC1	REAL300012033763	0	46	0.0	-72.71	381.76	8.03	-64.68
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1OC	REAL300012033764	0	54	0.0	-79.40	411.27	6.25	-73.15
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(OC)=C1	REAL300012033765	0	54	0.0	-70.83	409.93	5.72	-65.11
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3)(C1)OC21CCOCC1	REAL300012033766	0	49	0.0	-79.86	391.31	8.05	-71.81
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C=C3F)(C1)OC21CCOCC1	REAL300012033767	0	46	0.0	-75.34	364.30	7.18	-68.16
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Cl)=C3Cl)(C1)OC21CCOCC1	REAL300012033768	0	46	0.0	-72.33	380.41	7.96	-64.37
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C(Cl)=C3)(C1)OC21CCOCC1	REAL300012033769	0	46	0.0	-80.64	384.44	8.02	-72.62
O=C([O-])C12CC(C[NH2+]CC3CC=CCC3)(C1)OC21CCOCC1	REAL300012033770	0	50	0.0	-71.83	364.77	7.25	-64.58
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)F)C=C3)(C1)OC21CCOCC1	REAL300012033771	0	50	0.0	-77.44	391.83	6.63	-70.81
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3C(F)(F)F)(C1)OC21CCOCC1	REAL300012033772	0	49	0.0	-72.09	380.87	8.15	-63.94
CCCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033773	0	59	0.0	-74.87	446.93	8.85	-66.02
COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033774	0	50	0.0	-72.48	380.27	6.25	-66.23
CC(=CC1=CC=CC=C1)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033775	0	53	0.0	-73.27	399.60	8.80	-64.47
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1OC	REAL300012033776	0	57	0.0	-79.28	433.13	7.17	-72.11
CC(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033777	0	55	0.0	-71.89	412.80	8.98	-62.91
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C(F)(F)F)=C3)(C1)OC21CCOCC1	REAL300012033778	0	49	0.0	-77.03	389.49	7.94	-69.09
CCOC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033779	0	53	0.0	-65.95	400.77	7.25	-58.70
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033780	0	53	0.0	-75.02	403.93	7.27	-67.75
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3F)(C1)OC21CCOCC1	REAL300012033781	0	46	0.0	-70.59	356.89	7.12	-63.47
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(F)=C3)(C1)OC21CCOCC1	REAL300012033782	0	46	0.0	-75.40	357.17	7.02	-68.38
COC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033783	0	50	0.0	-67.73	380.66	6.42	-61.31
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)SC=C1	REAL300012033784	0	46	0.0	-70.38	361.08	6.76	-63.62
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4)C=C3)(C1)OC21CCOCC1	REAL300012033785	0	56	0.0	-75.42	426.79	10.46	-64.96
CC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033786	0	49	0.0	-71.21	367.12	7.70	-63.51
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C2=CC=CC=C2C=C1	REAL300012033787	0	56	0.0	-66.36	421.16	8.43	-57.93
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033788	0	49	0.0	-72.01	373.98	7.72	-64.29
N#CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033789	0	47	0.0	-84.13	373.43	7.44	-76.69
CSC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033790	0	50	0.0	-75.62	392.79	8.07	-67.55
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=CC=C3Cl)(C1)OC21CCOCC1	REAL300012033791	0	46	0.0	-63.88	380.66	7.86	-56.02
CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033792	0	49	0.0	-70.72	372.17	7.61	-63.11
O=C([O-])C12CC(C[NH2+]CC3=CSC=C3)(C1)OC21CCOCC1	REAL300012033793	0	43	0.0	-72.73	342.30	6.03	-66.70
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033794	0	52	0.0	-71.98	395.46	8.49	-63.49
CC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C)=C1	REAL300012033795	0	55	0.0	-70.09	406.03	8.74	-61.35
O=C([O-])C12CC(C[NH2+]CC3=C(F)C=CC=C3F)(C1)OC21CCOCC1	REAL300012033796	0	46	0.0	-66.62	363.18	7.09	-59.53
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(F)=C3)(C1)OC21CCOCC1	REAL300012033797	0	46	0.0	-83.63	365.23	7.18	-76.45
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012033798	0	46	0.0	-70.99	364.43	6.99	-64.00
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3Br)(C1)OC21CCOCC1	REAL300012033799	0	46	0.0	-68.11	367.77	7.67	-60.44
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1O	REAL300012033800	0	51	0.0	-78.76	392.79	4.19	-74.57
CC1=NN(C)C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033801	0	52	0.0	-76.11	393.20	5.82	-70.29
CC1=NN(C)C(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033802	0	49	0.0	-72.62	390.49	5.72	-66.90
CCC1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033803	0	52	0.0	-76.46	396.27	6.22	-70.24
O=C([O-])C12CC(C[NH2+]CC3=CN(CC(F)(F)F)N=C3)(C1)OC21CCOCC1	REAL300012033804	0	49	0.0	-81.40	394.54	6.25	-75.15
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C(C)(C)C)=N1	REAL300012033805	0	58	0.0	-74.41	423.82	7.17	-67.24
O=C([O-])C12CC(C[NH2+]CC3=CC=CN=C3)(C1)OC21CCOCC1	REAL300012033806	0	45	0.0	-75.36	345.60	5.16	-70.20
O=C([O-])C12CC(C[NH2+]CC3=CC=CO3)(C1)OC21CCOCC1	REAL300012033807	0	43	0.0	-71.02	331.51	5.09	-65.93
O=C([O-])C12CC(C[NH2+]CC3=CC=NC=C3)(C1)OC21CCOCC1	REAL300012033808	0	45	0.0	-77.70	346.32	5.25	-72.45
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)O3)(C1)OC21CCOCC1	REAL300012033809	0	43	0.0	-74.04	348.58	5.71	-68.33
CN(CCC#N)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033810	0	58	0.0	-76.91	446.75	8.90	-68.01
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1OC	REAL300012033811	0	57	0.0	-71.49	433.16	7.24	-64.25
C#CCOC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033812	0	52	0.0	-68.20	408.04	7.92	-60.28
CC1=NOC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033813	0	48	0.0	-79.16	369.47	5.87	-73.29
CC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CS1	REAL300012033814	0	45	0.0	-70.79	358.89	4.80	-65.99
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC2=C1OCO2	REAL300012033815	0	53	0.0	-82.56	406.34	4.89	-77.67
O=C([O-])C12CC(C[NH2+]CC3=NN(C4=CC=CC=C4)N=C3)(C1)OC21CCOCC1	REAL300012033816	0	52	0.0	-78.15	406.96	6.84	-71.31
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300012033817	0	46	0.0	-76.28	355.13	4.89	-71.39
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1C	REAL300012033818	0	53	0.0	-73.68	400.34	6.99	-66.69
CC(C)(C)C1=NNC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033819	0	55	0.0	-71.95	396.07	5.83	-66.12
O=C([O-])C12CC(C[NH2+]CC3=NC=CN3)(C1)OC21CCOCC1	REAL300012033820	0	43	0.0	-75.96	331.75	3.81	-72.15
COC1=CC=CC(OC)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033821	0	54	0.0	-63.14	408.87	5.76	-57.38
CN1C=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033822	0	46	0.0	-74.63	352.18	5.42	-69.21
COC1=CC=C(F)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033823	0	50	0.0	-71.01	386.52	6.40	-64.61
CSC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012033824	0	47	0.0	-73.89	385.84	7.41	-66.48
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCO4)(C1)OC21CCOCC1	REAL300012033825	0	49	0.0	-73.35	378.33	5.73	-67.62
O=C([O-])C12CC(C[NH2+]CC3=CN=CN=C3)(C1)OC21CCOCC1	REAL300012033826	0	44	0.0	-78.95	340.39	4.96	-73.99
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=CS3)(C1)OC21CCOCC1	REAL300012033827	0	43	0.0	-68.28	357.83	6.63	-61.65
CS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033828	0	52	0.0	-85.44	413.26	4.57	-80.87
COC1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033829	0	50	0.0	-71.29	387.06	6.49	-64.80
O=C([O-])C12CC(C[NH2+]CC3=NNC=C3)(C1)OC21CCOCC1	REAL300012033830	0	43	0.0	-72.11	332.23	3.48	-68.63
NC(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033831	0	50	0.0	-84.11	387.12	3.83	-80.28
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=C1F	REAL300012033832	0	50	0.0	-82.49	388.25	6.42	-76.07
COC1=CC=C(Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033833	0	50	0.0	-70.32	397.39	6.93	-63.39
O=C([O-])C12CC(C[NH2+]CC3=CN=CS3)(C1)OC21CCOCC1	REAL300012033834	0	42	0.0	-74.91	337.07	4.33	-70.58
CN1C=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033835	0	46	0.0	-77.57	352.47	6.22	-71.35
COC(=O)C1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CN1C	REAL300012033836	0	53	0.0	-79.09	411.95	7.25	-71.84
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1Cl	REAL300012033837	0	49	0.0	-75.30	387.99	8.16	-67.14
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=C1C	REAL300012033838	0	53	0.0	-75.30	402.10	7.10	-68.20
O=C([O-])C12CC(C[NH2+]CC3=CSC=N3)(C1)OC21CCOCC1	REAL300012033839	0	42	0.0	-71.15	336.94	4.09	-67.06
CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1F	REAL300012033840	0	49	0.0	-69.17	376.65	7.62	-61.55
N#CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(F)=C1	REAL300012033841	0	47	0.0	-81.47	378.71	7.50	-73.97
CC1=NNC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033842	0	49	0.0	-75.68	372.83	4.61	-71.07
CC1=NNC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033843	0	46	0.0	-76.59	351.82	4.16	-72.43
CN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033844	0	46	0.0	-79.40	352.94	4.65	-74.75
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C=N3)(C1)OC21CCOCC1	REAL300012033845	0	45	0.0	-72.93	367.06	5.73	-67.20
C#CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033846	0	55	0.0	-75.96	431.21	8.59	-67.37
O=C([O-])C12CC(C[NH2+]CC3=CN4C=CC=CC4=N3)(C1)OC21CCOCC1	REAL300012033847	0	49	0.0	-74.09	379.30	7.60	-66.49
CC1=NN(C)C2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)C=C12	REAL300012033848	0	54	0.0	-84.69	417.03	6.68	-78.01
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4CC4)=N3)(C1)OC21CCOCC1	REAL300012033849	0	49	0.0	-71.05	388.77	6.31	-64.74
CCC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CS1	REAL300012033850	0	48	0.0	-68.50	378.81	5.42	-63.08
O=C([O-])C12CC(C[NH2+]CC3=CN4C=C(Cl)C=CC4=N3)(C1)OC21CCOCC1	REAL300012033851	0	49	0.0	-74.74	396.02	8.10	-66.64
CC1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033852	0	49	0.0	-76.38	374.79	5.48	-70.90
CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300012033853	0	49	0.0	-75.97	376.67	5.75	-70.22
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N=N1	REAL300012033854	0	45	0.0	-78.90	349.33	3.57	-75.33
NC(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033855	0	50	0.0	-78.07	385.31	3.72	-74.35
CN1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012033856	0	46	0.0	-69.58	353.64	4.66	-64.92
O=C([O-])C12CC(C[NH2+]CC3=NC=CN3CC(F)(F)F)(C1)OC21CCOCC1	REAL300012033857	0	49	0.0	-76.92	389.73	6.54	-70.38
O=C([O-])C12CC(C[NH2+]CC3CCCCCCC3)(C1)OC21CCOCC1	REAL300012033858	0	58	0.0	-71.07	395.33	8.10	-62.97
CC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012033859	0	45	0.0	-71.60	358.91	4.82	-66.78
COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1F	REAL300012033860	0	50	0.0	-72.87	387.40	6.39	-66.48
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCCC4=C3)(C1)OC21CCOCC1	REAL300012033861	0	53	0.0	-72.86	397.83	8.99	-63.87
O=C([O-])C12CC(C[NH2+]CC3=COC=N3)(C1)OC21CCOCC1	REAL300012033862	1	42	0.0	-73.70	327.94	1.66	-72.04
CC(C)COC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033863	0	59	0.0	-67.56	443.86	8.87	-58.69
CCN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033864	0	49	0.0	-76.07	368.48	5.47	-70.60
O=C([O-])C12CC(C[NH2+]CC3=NC4=C(CCCC4)S3)(C1)OC21CCOCC1	REAL300012033865	0	52	0.0	-70.90	401.05	6.80	-64.10
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=NC=C4C=C3)(C1)OC21CCOCC1	REAL300012033866	0	51	0.0	-79.02	391.77	7.43	-71.59
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)SC=N1	REAL300012033867	0	45	0.0	-74.66	356.23	4.84	-69.82
COC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033868	0	50	0.0	-75.85	386.68	6.32	-69.53
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300012033869	0	56	0.0	-79.80	424.18	7.00	-72.80
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=CS1	REAL300012033870	0	46	0.0	-72.16	359.56	6.80	-65.36
CS(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033871	0	51	0.0	-85.05	404.79	5.64	-79.41
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCCCC4=C3)(C1)OC21CCOCC1	REAL300012033872	0	56	0.0	-70.57	413.46	9.44	-61.13
N#CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012033873	0	46	0.0	-82.77	368.27	5.56	-77.21
COC(=O)C1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CN1	REAL300012033874	0	50	0.0	-79.11	392.42	5.38	-73.73
COCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)O1	REAL300012033875	0	50	0.0	-74.98	388.85	5.08	-69.90
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C)=C1OC	REAL300012033876	0	57	0.0	-77.58	426.28	6.95	-70.63
O=C([O-])C12CC(C[NH2+]CC3=CSC(Cl)=C3Cl)(C1)OC21CCOCC1	REAL300012033877	0	43	0.0	-72.86	373.44	7.06	-65.80
CC1=NC(F)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033878	0	48	0.0	-82.72	368.66	5.83	-76.89
COC1=CC(C)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033879	0	53	0.0	-67.94	401.87	7.10	-60.84
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CS1	REAL300012033880	0	46	0.0	-70.89	362.63	6.70	-64.19
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N=N1	REAL300012033881	0	47	0.0	-77.99	364.04	4.77	-73.22
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C(F)(F)F)S3)(C1)OC21CCOCC1	REAL300012033882	0	45	0.0	-82.64	378.59	5.47	-77.17
CN1N=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033883	0	45	0.0	-86.37	347.05	3.45	-82.92
CS(=O)(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033884	0	52	0.0	-82.78	411.46	4.46	-78.32
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CS3)(C1)OC21CCOCC1	REAL300012033885	0	43	0.0	-74.30	359.63	6.67	-67.63
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4CCCC4)C=C3)(C1)OC21CCOCC1	REAL300012033886	0	59	0.0	-72.02	436.13	10.24	-61.78
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N(C)N=C1	REAL300012033887	0	49	0.0	-77.12	371.66	5.13	-71.99
CC1=CC(Cl)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033888	0	49	0.0	-75.49	390.46	8.25	-67.24
COCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033889	0	53	0.0	-74.70	407.64	6.78	-67.92
O=C([O-])C12CC(C[NH2+]CC3=NC=CN3C3=CC=CC=C3)(C1)OC21CCOCC1	REAL300012033890	0	53	0.0	-68.99	410.09	8.73	-60.26
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4CC4)C=C3)(C1)OC21CCOCC1	REAL300012033891	0	53	0.0	-72.08	400.66	9.13	-62.95
O=C([O-])C12CC(C[NH2+]CC3=NC=C(Cl)S3)(C1)OC21CCOCC1	REAL300012033892	0	42	0.0	-74.39	354.17	4.84	-69.55
C=CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300012033893	0	47	0.0	-78.75	366.92	6.09	-72.66
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3C3CCCC3)(C1)OC21CCOCC1	REAL300012033894	0	56	0.0	-79.26	418.47	7.58	-71.68
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033895	0	56	0.0	-71.75	426.15	8.72	-63.03
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)F)C=C3)(C1)OC21CCOCC1	REAL300012033896	0	49	0.0	-77.40	385.61	7.95	-69.45
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C)=N1	REAL300012033897	0	55	0.0	-78.24	413.18	4.83	-73.41
COC1=CC=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033898	0	50	0.0	-64.15	394.55	6.85	-57.30
CCC1=CC(OC)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033899	0	56	0.0	-74.01	415.27	7.66	-66.35
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N1C1=CC=CC=C1	REAL300012033900	0	56	0.0	-71.83	431.56	9.33	-62.50
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=NN1C	REAL300012033901	0	49	0.0	-75.76	371.92	5.35	-70.41
CCCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1C	REAL300012033902	0	58	0.0	-75.33	437.54	7.47	-67.86
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CC4)N=C3)(C1)OC21CCOCC1	REAL300012033903	0	51	0.0	-80.60	394.55	6.70	-73.90
COCCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300012033904	0	53	0.0	-77.30	410.34	4.80	-72.50
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4CCC4)C=C3)(C1)OC21CCOCC1	REAL300012033905	0	56	0.0	-71.51	417.20	9.61	-61.90
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC2=CC=CC=C21	REAL300012033906	0	56	0.0	-76.27	425.24	8.55	-67.72
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1F	REAL300012033907	0	53	0.0	-81.15	410.11	7.36	-73.79
COC1=CC=CC2=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)C=CC=C12	REAL300012033908	0	56	0.0	-76.78	421.88	8.55	-68.23
N#CC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033909	0	44	0.0	-81.96	363.79	6.58	-75.38
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=C1C#N	REAL300012033910	0	51	0.0	-88.84	402.24	6.77	-82.07
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033911	0	56	0.0	-74.90	427.63	8.91	-65.99
O=C([O-])C12CC(C[NH2+]CC3=NC=C(C(F)(F)F)S3)(C1)OC21CCOCC1	REAL300012033912	0	45	0.0	-76.05	376.11	5.26	-70.79
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=C1C#N	REAL300012033913	0	50	0.0	-83.16	390.77	7.84	-75.32
CC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012033914	0	45	0.0	-69.93	357.46	4.89	-65.04
CC(C)CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300012033915	0	55	0.0	-75.78	413.52	7.34	-68.44
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3C3CC3)(C1)OC21CCOCC1	REAL300012033916	0	53	0.0	-69.55	393.79	8.95	-60.60
CCC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012033917	0	48	0.0	-71.01	380.51	5.80	-65.21
CC1=CC=C(OC(F)F)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033918	0	53	0.0	-73.15	411.83	7.37	-65.78
CC1=NN(C(C)C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033919	0	55	0.0	-75.44	415.01	6.87	-68.57
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CCCC4)S3)(C1)OC21CCOCC1	REAL300012033920	0	55	0.0	-73.98	424.42	7.69	-66.29
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CC4)S3)(C1)OC21CCOCC1	REAL300012033921	0	49	0.0	-74.48	390.44	6.70	-67.78
CC(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012033922	0	51	0.0	-73.99	401.49	6.38	-67.61
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CC=CO4)S3)(C1)OC21CCOCC1	REAL300012033923	0	49	0.0	-78.48	400.32	6.16	-72.32
CN1C=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)C=C2)C=N1	REAL300012033924	0	56	0.0	-78.51	432.70	8.35	-70.16
O=C([O-])C12CC(C[NH2+]CC3=CN(CC(F)F)N=C3)(C1)OC21CCOCC1	REAL300012033925	0	49	0.0	-81.77	388.51	6.08	-75.69
CN(C)C(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N1	REAL300012033926	0	54	0.0	-87.66	409.84	5.23	-82.43
NC(=O)C1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033927	0	47	0.0	-78.80	378.86	2.93	-75.87
CCC1=NN(C)C(CC)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033928	0	58	0.0	-73.87	429.29	7.39	-66.48
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CCC4)S3)(C1)OC21CCOCC1	REAL300012033929	0	52	0.0	-72.52	405.31	7.07	-65.45
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CCCO4)S3)(C1)OC21CCOCC1	REAL300012033930	0	53	0.0	-76.73	416.26	5.29	-71.44
CC1=CC=CC=C1N1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N=N1	REAL300012033931	0	55	0.0	-78.37	426.59	7.79	-70.58
CCOC1=C(Cl)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033932	0	53	0.0	-73.01	419.99	7.95	-65.06
CCC1=CC=CC(F)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033933	0	52	0.0	-67.13	391.92	8.20	-58.93
O=C([O-])C12CC(C[NH2+]CC3=NN(C(F)F)C=C3)(C1)OC21CCOCC1	REAL300012033934	0	46	0.0	-73.33	366.24	4.80	-68.53
CC(C)C1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012033935	0	51	0.0	-70.85	400.46	6.38	-64.47
CC(C)(C)C1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012033936	0	54	0.0	-70.67	418.66	6.88	-63.79
O=C([O-])C12CC(C[NH2+]CC3=C(C4CC4)N=CS3)(C1)OC21CCOCC1	REAL300012033937	0	49	0.0	-74.75	388.01	6.49	-68.26
COC(=O)C1=C(C)N(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033938	0	56	0.0	-82.94	430.37	7.59	-75.35
COCCCN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033939	0	56	0.0	-79.66	425.20	5.42	-74.24
CC1=CC(F)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(Cl)=C1	REAL300012033940	0	49	0.0	-65.35	393.09	8.18	-57.17
CSCC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012033941	0	49	0.0	-73.19	403.74	6.24	-66.95
O=C([O-])C12CC(C[NH2+]CC3=CSC=C3C(F)(F)F)(C1)OC21CCOCC1	REAL300012033942	0	46	0.0	-68.26	372.22	7.05	-61.21
CCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012033943	0	51	0.0	-73.91	389.91	4.54	-69.37
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4CC4)=C3)(C1)OC21CCOCC1	REAL300012033944	0	53	0.0	-72.90	401.74	9.15	-63.75
CC1=NN(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033945	0	49	0.0	-79.55	375.08	5.21	-74.34
N#CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1F	REAL300012033946	0	47	0.0	-88.28	377.52	7.39	-80.89
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)(C1)OC21CCOCC1	REAL300012033947	0	49	0.0	-85.71	391.92	6.18	-79.53
CC1=CC(F)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(F)=C1	REAL300012033948	0	49	0.0	-65.96	383.47	7.74	-58.22
CC(C)CN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033949	0	55	0.0	-78.75	415.39	7.09	-71.66
COC(=O)C1=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CN1	REAL300012033950	0	53	0.0	-78.97	409.06	5.91	-73.06
CC(C)(C#N)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012033951	0	56	0.0	-78.35	429.19	9.00	-69.35
CC(C)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033952	0	55	0.0	-70.64	406.38	8.84	-61.80
O=C([O-])C12CC(C[NH2+]CC3=NN4CCCCC4=C3)(C1)OC21CCOCC1	REAL300012033953	0	53	0.0	-70.72	397.16	6.38	-64.34
O=C([O-])C12CC(C[NH2+]CC3=CN=NN3C3=CC=CC=C3)(C1)OC21CCOCC1	REAL300012033954	0	52	0.0	-81.65	402.65	6.72	-74.93
O=C([O-])C12CC(C[NH2+]CC3=CC4=CN=CC=C4O3)(C1)OC21CCOCC1	REAL300012033955	0	48	0.0	-78.25	373.37	5.74	-72.51
COC1=CC(OC)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1F	REAL300012033956	0	54	0.0	-74.93	416.34	5.80	-69.13
COC1=CC(F)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1OC	REAL300012033957	0	54	0.0	-75.89	415.78	6.30	-69.59
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(Cl)=C1	REAL300012033958	0	49	0.0	-68.54	386.43	8.19	-60.35
CCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033959	0	52	0.0	-72.32	395.41	8.49	-63.83
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(F)=C1	REAL300012033960	0	50	0.0	-73.33	387.38	6.40	-66.93
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3CCC4)(C1)OC21CCOCC1	REAL300012033961	0	53	0.0	-72.24	396.74	8.88	-63.36
COC1=CC=CC(F)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033962	0	50	0.0	-65.53	385.81	6.47	-59.06
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C)=C1	REAL300012033963	0	59	0.0	-74.13	439.95	8.72	-65.41
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=NC=C4S3)(C1)OC21CCOCC1	REAL300012033964	0	48	0.0	-79.51	384.45	6.84	-72.67
O=C([O-])C12CC(C[NH2+]CC3=C4CCCN4N=C3)(C1)OC21CCOCC1	REAL300012033965	0	50	0.0	-74.13	377.24	5.55	-68.58
CCC1=C2OC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=CC2=CC=C1	REAL300012033966	0	55	0.0	-76.26	423.30	9.01	-67.25
C=CCCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N=N1	REAL300012033967	0	52	0.0	-75.62	403.30	5.61	-70.01
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3CC3CC3)(C1)OC21CCOCC1	REAL300012033968	0	53	0.0	-76.26	400.99	7.11	-69.15
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC4CC4)=C3F)(C1)OC21CCOCC1	REAL300012033969	0	54	0.0	-73.35	418.44	8.06	-65.29
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C)=C1	REAL300012033970	0	56	0.0	-72.69	416.94	7.80	-64.89
COC1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033971	0	49	0.0	-71.69	378.04	3.86	-67.83
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4CCCC4)=C3)(C1)OC21CCOCC1	REAL300012033972	0	59	0.0	-72.42	436.55	10.29	-62.13
COCC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033973	0	50	0.0	-72.91	398.05	5.89	-67.02
O=C([O-])C12CC(C[NH2+]CC3=CN(C4CCC4)N=N3)(C1)OC21CCOCC1	REAL300012033974	0	52	0.0	-77.85	394.71	5.53	-72.32
O=C([O-])C12CC(C[NH2+]CC3=CSC(C(F)(F)F)=C3)(C1)OC21CCOCC1	REAL300012033975	0	46	0.0	-78.09	381.38	7.09	-71.00
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)F)O3)(C1)OC21CCOCC1	REAL300012033976	0	46	0.0	-79.44	374.24	6.45	-72.99
O=C([O-])C12CC(C[NH2+]CC3=C(C(F)(F)F)SC=C3)(C1)OC21CCOCC1	REAL300012033977	0	46	0.0	-70.29	373.72	7.22	-63.07
CN(C)C1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=CC(F)=C1F	REAL300012033978	0	54	0.0	-77.95	412.18	7.13	-70.82
O=C([O-])C12CC(C[NH2+]CC3=C(F)C=CC(F)=C3Cl)(C1)OC21CCOCC1	REAL300012033979	0	46	0.0	-68.53	377.76	7.53	-61.00
CN(C)C1=CC(F)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1F	REAL300012033980	0	54	0.0	-73.40	416.14	6.54	-66.86
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(F)=C3F)(C1)OC21CCOCC1	REAL300012033981	0	46	0.0	-82.37	369.66	7.22	-75.15
CCCN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033982	0	52	0.0	-75.90	389.97	6.23	-69.67
CN1N=C(C(F)(F)F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033983	0	49	0.0	-85.86	394.51	5.61	-80.25
CCCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012033984	0	52	0.0	-69.17	405.85	8.41	-60.76
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)(C1)OC21CCOCC1	REAL300012033985	0	53	0.0	-75.95	419.94	9.66	-66.29
CC(C)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033986	0	55	0.0	-70.56	410.98	8.87	-61.69
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(Cl)=N1	REAL300012033987	0	46	0.0	-75.77	371.74	5.30	-70.47
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(CC4CCC4)=C3)(C1)OC21CCOCC1	REAL300012033988	0	59	0.0	-72.29	443.58	10.56	-61.73
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=C1Cl	REAL300012033989	0	50	0.0	-80.39	398.06	6.91	-73.48
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3CC3CCC3)(C1)OC21CCOCC1	REAL300012033990	0	56	0.0	-79.00	422.91	7.62	-71.38
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3CC(F)(F)F)(C1)OC21CCOCC1	REAL300012033991	0	52	0.0	-72.23	401.45	8.65	-63.58
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(F)=C1	REAL300012033992	0	49	0.0	-70.13	379.30	7.79	-62.34
CC(=O)NC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012033993	0	53	0.0	-80.79	406.87	5.85	-74.94
CN1N=CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=CN=C21	REAL300012033994	0	51	0.0	-83.91	395.07	6.08	-77.83
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CC(F)(F)F)C=C3)(C1)OC21CCOCC1	REAL300012033995	0	52	0.0	-75.37	413.56	8.83	-66.54
CN1N=C2CCCCC2=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012033996	0	56	0.0	-78.97	416.77	7.04	-71.93
CC1=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CS1	REAL300012033997	0	49	0.0	-71.84	377.72	7.34	-64.50
O=C([O-])C12CC(C[NH2+]CC3=CN=C(Cl)C(F)=C3)(C1)OC21CCOCC1	REAL300012033998	0	45	0.0	-84.66	368.36	5.64	-79.02
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)(C1)OC21CCOCC1	REAL300012033999	0	52	0.0	-80.12	399.06	9.22	-70.90
O=C([O-])C12CC(C[NH2+]CC3=CC=CN=C3Br)(C1)OC21CCOCC1	REAL300012034000	0	45	0.0	-73.70	362.87	5.77	-67.93
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034001	0	56	0.0	-70.42	426.83	8.04	-62.38
CCOC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034002	0	53	0.0	-75.56	408.54	7.24	-68.32
CC(C)(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034003	0	59	0.0	-71.60	431.17	8.09	-63.51
CC1=C(Cl)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034004	0	49	0.0	-74.65	381.41	8.11	-66.54
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C(F)C=C1C	REAL300012034005	0	53	0.0	-72.49	406.63	7.14	-65.35
CC(C)(C)C1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012034006	0	54	0.0	-71.29	417.90	6.81	-64.48
COCCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012034007	0	52	0.0	-75.38	412.62	4.74	-70.64
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(F)=C3O)(C1)OC21CCOCC1	REAL300012034008	1	47	0.0	-78.64	374.54	4.44	-74.20
CN1N=C2CCSCC2=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034009	0	54	0.0	-80.34	415.20	6.61	-73.73
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3CCOC4)(C1)OC21CCOCC1	REAL300012034010	0	54	0.0	-74.68	399.11	7.05	-67.63
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OC(=O)OC4=C3)(C1)OC21CCOCC1	REAL300012034011	0	48	0.0	-90.43	380.08	7.63	-82.80
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=NC=CC=C34)(C1)OC21CCOCC1	REAL300012034012	0	51	0.0	-80.77	388.62	7.31	-73.46
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1C	REAL300012034013	0	59	0.0	-73.54	443.69	8.72	-64.82
O=C([O-])C12CC(C[NH2+]CC3=CC4=NC=CN=C4C=C3)(C1)OC21CCOCC1	REAL300012034014	0	50	0.0	-80.23	386.81	5.37	-74.86
CCOC1=CC=CC(F)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034015	0	53	0.0	-62.78	406.10	7.26	-55.52
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=CC=C1[N+](=O)[O-]	REAL300012034016	0	51	0.0	-85.81	390.16	8.17	-77.64
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034017	0	54	0.0	-82.48	410.01	8.60	-73.88
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(F)=C1OC	REAL300012034018	0	54	0.0	-76.91	420.57	6.40	-70.51
COC(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(F)=C1	REAL300012034019	0	52	0.0	-80.67	412.66	7.77	-72.90
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3OCC(F)F)(C1)OC21CCOCC1	REAL300012034020	0	53	0.0	-68.92	415.27	7.70	-61.22
CC1=COC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034021	0	46	0.0	-72.78	354.97	5.90	-66.88
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C=N3)(C1)OC21CCOCC1	REAL300012034022	0	45	0.0	-72.74	362.49	5.62	-67.12
CC1=CC(C#N)=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034023	0	53	0.0	-80.71	405.37	8.45	-72.26
CC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)O1	REAL300012034024	1	45	0.0	-73.71	349.93	2.62	-71.09
O=C([O-])C12CC(C[NH2+]CC3=CN(CCF)N=C3)(C1)OC21CCOCC1	REAL300012034025	0	49	0.0	-77.92	383.26	5.89	-72.03
CC(C)(C)C1=COC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012034026	1	54	0.0	-73.83	410.08	4.43	-69.40
CCCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012034027	0	55	0.0	-71.53	415.83	9.24	-62.29
CC1=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)C=NC2=NN1	REAL300012034028	0	51	0.0	-89.58	395.39	5.60	-83.98
O=C([O-])C12CC(C[NH2+]CC3=NC=CS3)(C1)OC21CCOCC1	REAL300012034029	0	42	0.0	-71.51	337.31	4.20	-67.31
CN1N=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C2=CC=CC=C21	REAL300012034030	0	52	0.0	-72.92	400.71	6.87	-66.05
O=C([O-])C12CC(C[NH2+]CC3=C4C=CC=CC4=NN3)(C1)OC21CCOCC1	REAL300012034031	0	49	0.0	-85.04	379.41	5.67	-79.37
O=C([O-])C12CC(C[NH2+]CC3=NNC4=CC=CC=C43)(C1)OC21CCOCC1	REAL300012034031	1	49	0.0	-75.35	379.41	5.71	-69.64
CN1C(Cl)=NC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034032	0	46	0.0	-80.26	385.78	6.37	-73.89
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012034033	0	49	0.0	-70.99	385.91	7.77	-63.22
O=C([O-])C12CC(C[NH2+]CC3=NC=CC4=CC=CC=C43)(C1)OC21CCOCC1	REAL300012034034	0	51	0.0	-73.00	390.06	7.37	-65.63
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N2C=CC=CC2=N1	REAL300012034035	0	52	0.0	-80.93	399.01	8.03	-72.90
CCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012034036	0	48	0.0	-74.35	380.71	5.77	-68.58
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)SC=C1	REAL300012034037	0	47	0.0	-66.39	372.45	5.49	-60.90
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=N4)=NN3)(C1)OC21CCOCC1	REAL300012034038	0	52	0.0	-81.64	408.71	5.30	-76.34
O=C([O-])C12CC(C[NH2+]CC3=CSC=C3Cl)(C1)OC21CCOCC1	REAL300012034039	0	43	0.0	-69.30	356.98	6.49	-62.81
CC1=NN2C(=NC(C)=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012034040	0	51	0.0	-75.91	406.87	6.23	-69.68
CCCC(C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)C1=CC=CC=C1	REAL300012034041	0	58	0.0	-70.14	427.79	9.56	-60.58
O=C([O-])C12CC(C[NH2+]CC3CC4CCC3C4)(C1)OC21CCOCC1	REAL300012034042	0	53	0.0	-70.97	374.56	7.50	-63.47
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)N=C3)(C1)OC21CCOCC1	REAL300012034043	0	45	0.0	-84.01	353.58	5.24	-78.77
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)F)S3)(C1)OC21CCOCC1	REAL300012034044	0	46	0.0	-79.01	383.18	7.39	-71.62
CC1(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CCC1	REAL300012034045	0	49	0.0	-68.33	355.30	6.68	-61.65
O=C([O-])C12CC(C[NH2+]CC3(C(F)F)CC3)(C1)OC21CCOCC1	REAL300012034046	0	46	0.0	-75.18	351.48	6.55	-68.63
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)NN=C1	REAL300012034047	0	46	0.0	-78.21	351.33	4.12	-74.09
CC1=CNN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034047	1	46	0.0	-69.28	351.62	3.98	-65.30
CC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N1C	REAL300012034048	0	49	0.0	-75.49	372.64	5.93	-69.56
CC(C)C1CCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300012034049	0	61	0.0	-70.09	421.33	8.81	-61.28
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034050	0	56	0.0	-70.86	424.67	7.90	-62.96
O=C([O-])C12CC(C[NH2+]CC3=CON=C3CC3=CC=CC=C3)(C1)OC21CCOCC1	REAL300012034051	0	55	0.0	-83.87	426.41	8.74	-75.13
CCC1=NOC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034052	0	48	0.0	-79.92	369.69	5.84	-74.08
CN1N=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1Cl	REAL300012034053	0	46	0.0	-72.67	370.94	5.22	-67.45
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CN=C4O3)(C1)OC21CCOCC1	REAL300012034054	0	48	0.0	-78.72	373.41	4.43	-74.29
CC1=CN=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034055	0	48	0.0	-77.15	362.45	5.92	-71.23
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)(C1)OC21CCOCC1	REAL300012034056	0	48	0.0	-82.21	391.74	5.06	-77.15
O=C([O-])C12CC(C[NH2+]C[C@@H]3C[C@H]3C3=CC=CC=C3)(C1)OC21CCOCC1	REAL300012034057	0	53	0.0	-73.04	400.57	9.15	-63.89
O=C([O-])C12CC(C[NH2+]CC3=CC=NC=C3Br)(C1)OC21CCOCC1	REAL300012034058	0	45	0.0	-73.38	363.17	5.89	-67.49
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3C3=CC=CC=N3)(C1)OC21CCOCC1	REAL300012034059	0	52	0.0	-71.09	404.49	7.77	-63.32
CC(C)N1C=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034061	0	52	0.0	-71.75	391.62	6.76	-64.99
CN1N=CC(C(F)(F)F)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034062	0	49	0.0	-78.10	390.01	5.68	-72.42
CN1N=CC(C2CC2)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034063	0	53	0.0	-78.92	403.24	6.70	-72.22
CN1N=CC(C2CCC2)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034064	0	56	0.0	-77.74	418.27	7.09	-70.65
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N1C	REAL300012034065	0	49	0.0	-77.56	373.06	6.01	-71.55
CC1=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)NC2=CC=C1	REAL300012034066	0	53	0.0	-78.23	405.16	7.67	-70.56
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3C3=CC=NC=C3)(C1)OC21CCOCC1	REAL300012034067	0	52	0.0	-79.88	403.57	6.22	-73.66
CC1=CC=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)NC2=C1	REAL300012034068	0	53	0.0	-77.81	405.58	7.68	-70.13
CC1=NC=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034069	0	47	0.0	-74.34	359.29	3.89	-70.45
CCOC1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034070	0	52	0.0	-77.80	398.81	5.46	-72.34
O=C([O-])C12CC(C[NH2+]CC3=CC=NC=C3Cl)(C1)OC21CCOCC1	REAL300012034071	0	45	0.0	-74.15	359.57	5.79	-68.36
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3C3CCOCC3)(C1)OC21CCOCC1	REAL300012034072	0	57	0.0	-82.52	427.98	5.70	-76.82
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=NNC=C43)(C1)OC21CCOCC1	REAL300012034073	0	49	0.0	-83.72	378.44	5.78	-77.94
CCC(F)(F)C(C)(C)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034074	0	54	0.0	-67.97	390.27	7.32	-60.65
O=C([O-])C12CC(C[NH2+]CC3=CC=NC(F)=C3)(C1)OC21CCOCC1	REAL300012034075	0	45	0.0	-83.76	353.83	5.23	-78.53
O=C([O-])C12CC(C[NH2+]CC3=CC=C4C=CNC4=C3)(C1)OC21CCOCC1	REAL300012034076	0	50	0.0	-75.84	383.69	7.11	-68.73
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(C=CNC4=O)O3)(C1)OC21CCOCC1	REAL300012034077	0	49	0.0	-83.51	385.13	4.54	-78.97
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)F)N=C3)(C1)OC21CCOCC1	REAL300012034078	0	48	0.0	-82.64	380.33	6.20	-76.44
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034079	0	55	0.0	-76.24	424.37	7.49	-68.75
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4CCOC4)N=N3)(C1)OC21CCOCC1	REAL300012034080	0	56	0.0	-81.78	426.65	4.45	-77.33
COC1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1C	REAL300012034081	0	52	0.0	-75.19	389.30	5.11	-70.08
CC1=CC(C)=C(C=CC[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C)=C1	REAL300012034082	0	59	0.0	-75.01	442.58	10.18	-64.83
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4CCCO4)N=N3)(C1)OC21CCOCC1	REAL300012034083	0	56	0.0	-78.74	427.53	4.64	-74.10
CCCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N=N1	REAL300012034084	0	51	0.0	-78.48	392.24	5.17	-73.31
CN(C)C1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034085	0	54	0.0	-70.47	410.15	7.16	-63.31
O=C([O-])C12CC(C[NH2+]CC3=CN(C4CC4)C=N3)(C1)OC21CCOCC1	REAL300012034086	0	50	0.0	-70.57	383.89	7.71	-62.86
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)(C1)OC21CCOCC1	REAL300012034087	0	51	0.0	-86.05	399.94	7.49	-78.56
CC1=CC(C)=C(C=CC[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1C	REAL300012034088	0	59	0.0	-73.09	437.69	9.97	-63.12
CC1=NSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034089	0	45	0.0	-78.19	359.08	5.47	-72.72
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012034090	0	51	0.0	-86.23	406.81	2.00	-84.23
CCN1N=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034091	0	48	0.0	-77.46	364.20	6.12	-71.34
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CC4)O3)(C1)OC21CCOCC1	REAL300012034092	0	49	0.0	-74.72	379.48	4.25	-70.47
CCC1=CNC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012034093	0	49	0.0	-73.32	373.54	5.01	-68.31
O=C([O-])C12CC(C[NH2+]CC3=NC=CC4=C3CCCC4)(C1)OC21CCOCC1	REAL300012034094	0	55	0.0	-69.92	404.72	7.60	-62.32
CC1=NN(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1Cl	REAL300012034095	0	49	0.0	-77.22	391.61	5.71	-71.51
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C2CCCC2)=N1	REAL300012034096	0	59	0.0	-76.87	440.63	7.99	-68.88
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OCCCC4=C3)(C1)OC21CCOCC1	REAL300012034097	0	54	0.0	-74.15	404.47	7.58	-66.57
CN(C)C(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034098	0	56	0.0	-78.87	423.33	6.76	-72.11
CCC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(Cl)=NN1	REAL300012034099	0	49	0.0	-74.56	390.44	5.20	-69.36
O=C([O-])C12CC(C[NH2+]CC3=C(C4CC4)NN=C3Cl)(C1)OC21CCOCC1	REAL300012034100	0	50	0.0	-72.07	397.12	5.90	-66.17
CCC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C)=NO1	REAL300012034101	0	51	0.0	-77.31	390.50	6.56	-70.75
CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N=N1	REAL300012034102	0	48	0.0	-78.76	370.75	4.40	-74.36
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C2CCCCC2=N1	REAL300012034103	0	58	0.0	-78.77	424.90	8.27	-70.50
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)O1	REAL300012034104	0	50	0.0	-75.61	387.94	6.59	-69.02
O=C([O-])C12CC(C[NH2+]CC3=CSC(C(F)(F)F)=N3)(C1)OC21CCOCC1	REAL300012034105	1	45	0.0	-78.14	377.97	5.19	-72.95
CCN1C=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034106	0	49	0.0	-70.48	376.20	7.26	-63.22
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CN=C1F	REAL300012034107	0	48	0.0	-82.41	372.40	5.73	-76.68
CC1=CC(F)=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034108	0	48	0.0	-82.01	368.84	5.87	-76.14
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)F)C(F)=C3)(C1)OC21CCOCC1	REAL300012034109	0	49	0.0	-83.13	390.19	7.92	-75.21
COC(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1C	REAL300012034110	0	55	0.0	-82.59	423.37	8.25	-74.34
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C)=C1	REAL300012034111	0	53	0.0	-74.46	396.59	6.99	-67.47
CC1CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=CC=C2O1	REAL300012034112	0	54	0.0	-75.57	407.65	7.53	-68.04
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OC(=O)N4)(C1)OC21CCOCC1	REAL300012034113	0	49	0.0	-79.18	384.07	4.58	-74.60
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCC4)(C1)OC21CCOCC1	REAL300012034114	0	51	0.0	-68.99	388.07	6.91	-62.08
CSCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012034115	0	53	0.0	-74.31	418.70	8.93	-65.38
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4CCC4)N=C3)(C1)OC21CCOCC1	REAL300012034116	0	56	0.0	-74.59	423.02	7.69	-66.90
CN1N=C2CCOCC2=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034117	0	54	0.0	-80.04	406.06	4.55	-75.49
CN1N=C2CCCC2=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034118	0	53	0.0	-79.30	399.05	6.55	-72.75
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3C3CCC3)(C1)OC21CCOCC1	REAL300012034119	0	53	0.0	-79.14	401.10	6.88	-72.26
O=C([O-])C12CC(C[NH2+]CC3=CN(C4CCC4)N=C3)(C1)OC21CCOCC1	REAL300012034120	0	53	0.0	-73.84	398.93	6.73	-67.11
COC1=CC=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034121	0	53	0.0	-72.67	396.80	6.98	-65.69
CN1C=NC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=C21	REAL300012034122	0	52	0.0	-80.24	390.72	8.34	-71.90
CCC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034123	0	52	0.0	-70.84	385.75	8.36	-62.48
CN(C)C(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012034124	0	56	0.0	-85.28	423.71	6.87	-78.41
CC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034125	0	49	0.0	-76.65	380.14	7.82	-68.83
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C)=C1C	REAL300012034126	0	55	0.0	-69.16	400.32	8.67	-60.49
CCNC(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012034127	0	56	0.0	-83.91	430.54	6.17	-77.74
CC(C)(C)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034128	0	58	0.0	-66.29	406.66	9.42	-56.87
O=C([O-])C12CC(C[NH2+]CC3=CN=C4CCCCCN34)(C1)OC21CCOCC1	REAL300012034129	0	56	0.0	-77.27	408.34	7.47	-69.80
O=C([O-])C12CC(C[NH2+]CC3=CON=C3C3CC3)(C1)OC21CCOCC1	REAL300012034130	0	49	0.0	-80.05	380.61	6.66	-73.39
CCN1CCC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=CC=C21	REAL300012034131	0	58	0.0	-72.82	430.07	7.57	-65.25
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=NN1C(C)C	REAL300012034132	0	55	0.0	-72.71	413.70	6.72	-65.99
CSC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1Cl	REAL300012034133	0	50	0.0	-79.48	407.75	8.52	-70.96
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=C1C1CC1	REAL300012034134	0	56	0.0	-72.67	418.95	9.68	-62.99
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=N1	REAL300012034135	0	52	0.0	-78.89	401.47	4.70	-74.19
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1C1CC1	REAL300012034136	0	56	0.0	-71.02	417.20	9.57	-61.45
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)O1	REAL300012034137	0	47	0.0	-75.78	366.08	5.65	-70.13
COCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)O1	REAL300012034138	0	54	0.0	-77.56	421.56	5.83	-71.73
CC1=NN(C(C)C)C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034139	0	58	0.0	-75.33	435.63	7.39	-67.94
O=C([O-])C12CC(C[NH2+]CC3=NN(CCF)C=C3)(C1)OC21CCOCC1	REAL300012034140	0	49	0.0	-71.12	381.76	5.66	-65.46
CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C)=N1	REAL300012034141	0	52	0.0	-76.02	396.32	6.34	-69.68
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C2CC2)=N1	REAL300012034142	0	53	0.0	-76.71	407.19	7.06	-69.65
CN1N=C(C2CC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034143	0	53	0.0	-80.28	404.64	6.74	-73.54
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034144	0	56	0.0	-81.45	423.04	10.07	-71.38
CC(C)C1=NOC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034145	0	51	0.0	-79.90	390.54	6.37	-73.53
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CCOCC4)O3)(C1)OC21CCOCC1	REAL300012034146	0	56	0.0	-78.44	424.60	3.54	-74.90
COC1=NC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1F	REAL300012034147	0	49	0.0	-77.89	385.20	3.81	-74.08
O=C([O-])C12CC(C[NH2+]CC3=CN4C=CN=C4S3)(C1)OC21CCOCC1	REAL300012034148	0	46	0.0	-86.31	369.91	7.02	-79.29
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C(C(C)(C)C)O1	REAL300012034149	0	58	0.0	-72.31	435.21	8.60	-63.71
CC1=C(C)SC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012034150	0	48	0.0	-70.97	378.00	5.50	-65.47
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4=CC=CC=C4)N=N3)(C1)OC21CCOCC1	REAL300012034151	0	55	0.0	-80.57	430.68	7.40	-73.17
CC1OC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)C=C2C1C	REAL300012034152	0	57	0.0	-77.21	425.72	8.18	-69.03
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1OC(F)F	REAL300012034153	0	53	0.0	-72.16	410.10	7.27	-64.89
O=C([O-])C12CC(C[NH2+]CC3=CSN=C3)(C1)OC21CCOCC1	REAL300012034154	0	42	0.0	-77.77	335.27	4.59	-73.18
CC(C)CC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034155	0	58	0.0	-70.57	422.06	9.50	-61.07
CN1N=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1S(C)(=O)=O	REAL300012034156	1	52	0.0	-78.72	404.75	2.43	-76.29
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)NN=C1C(F)(F)F	REAL300012034157	0	49	0.0	-85.19	390.24	5.01	-80.18
CC(C)CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N=N1	REAL300012034158	0	54	0.0	-78.15	407.94	5.81	-72.34
O=C([O-])C12CC(C[NH2+]CC3=NC(C4CC4)=CS3)(C1)OC21CCOCC1	REAL300012034159	0	49	0.0	-72.01	387.96	6.29	-65.72
O=C([O-])C12CC(C[NH2+]CC3=CC(C(F)(F)F)=NN3)(C1)OC21CCOCC1	REAL300012034160	0	46	0.0	-85.54	373.59	4.40	-81.14
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCOC4=C3)(C1)OC21CCOCC1	REAL300012034161	0	51	0.0	-75.36	388.18	6.92	-68.44
CN1C=C(Cl)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012034162	1	46	0.0	-68.96	371.97	5.27	-63.69
CSC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034163	0	50	0.0	-72.65	390.98	7.96	-64.69
CC(C)C1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N(C)N=C1	REAL300012034164	0	55	0.0	-78.87	414.48	6.57	-72.30
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC(C)=N1	REAL300012034165	0	51	0.0	-78.60	390.44	6.53	-72.07
CCCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C)=N1	REAL300012034166	0	55	0.0	-75.95	417.82	7.10	-68.85
CCN1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012034167	0	49	0.0	-71.33	376.93	5.64	-65.69
O=C([O-])C12CC(C[NH2+]CC3=CC4=NC=CC=C4O3)(C1)OC21CCOCC1	REAL300012034168	0	48	0.0	-80.21	374.95	5.80	-74.41
CC1=C(C)OC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012034169	1	48	0.0	-73.85	369.45	3.18	-70.67
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CC4CC4)S3)(C1)OC21CCOCC1	REAL300012034170	0	53	0.0	-69.47	415.97	9.20	-60.27
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4CC4)C=C3)(C1)OC21CCOCC1	REAL300012034171	0	54	0.0	-75.63	411.99	7.99	-67.64
CNC(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034172	0	53	0.0	-78.11	407.24	5.22	-72.89
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4CC4)C(C4CC4)=C3)(C1)OC21CCOCC1	REAL300012034173	0	60	0.0	-71.61	445.19	10.98	-60.63
CCNC(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034175	0	56	0.0	-77.90	428.73	6.06	-71.84
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)OC2=CC=C(F)C=C12	REAL300012034176	0	52	0.0	-78.33	407.24	8.28	-70.05
O=C([O-])C12CC(C[NH2+]CC3=CC(C4CCC4)=NN3)(C1)OC21CCOCC1	REAL300012034177	0	53	0.0	-79.71	399.43	5.99	-73.72
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034178	0	56	0.0	-82.75	432.60	8.18	-74.57
CCCN1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012034179	0	52	0.0	-69.01	396.67	6.29	-62.72
CC(C)N1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012034180	0	52	0.0	-68.66	393.84	6.04	-62.62
CC(C)(C)C1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034181	0	57	0.0	-77.00	423.92	7.55	-69.45
O=C([O-])C12CC(C[NH2+]CC3=NN(CC(F)(F)F)C=C3)(C1)OC21CCOCC1	REAL300012034182	0	49	0.0	-75.76	394.81	6.13	-69.63
CN1C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=NC2=C1CCCC2	REAL300012034183	0	56	0.0	-75.52	416.11	7.74	-67.78
COC1=NC(Cl)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034184	0	49	0.0	-76.30	394.96	4.27	-72.03
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C(F)(F)F)=N1	REAL300012034185	0	49	0.0	-75.84	389.10	5.86	-69.98
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C(F)F)=C3F)(C1)OC21CCOCC1	REAL300012034186	0	49	0.0	-74.58	388.36	7.93	-66.65
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3COCC4)(C1)OC21CCOCC1	REAL300012034187	0	54	0.0	-72.90	397.49	6.94	-65.96
CCOC1=CC=C(Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034188	0	53	0.0	-69.79	419.25	7.86	-61.93
COC1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034189	0	50	0.0	-73.86	388.04	2.82	-71.04
O=C([O-])C12CC(C[NH2+]CC3=NC4=C(COCC4)S3)(C1)OC21CCOCC1	REAL300012034190	0	50	0.0	-73.66	391.94	4.39	-69.27
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(CCCC4)O3)(C1)OC21CCOCC1	REAL300012034191	0	53	0.0	-72.52	396.81	7.89	-64.63
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC([N+](=O)[O-])=C3)(C1)OC21CCOCC1	REAL300012034192	0	48	0.0	-89.93	386.94	7.82	-82.11
O=C([O-])C12CC(C[NH2+]CC3=CN(C4CCCCC4)N=C3)(C1)OC21CCOCC1	REAL300012034193	0	59	0.0	-73.32	435.42	8.00	-65.32
CC1=COC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012034194	1	45	0.0	-74.37	349.93	2.40	-71.97
CN(CCO)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300012034195	0	57	0.0	-75.13	430.34	4.52	-70.61
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300012034196	0	52	0.0	-78.27	394.60	4.41	-73.86
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1O	REAL300012034197	0	54	0.0	-77.17	407.57	4.80	-72.37
CN1C(=O)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC2=CC=CC=C21	REAL300012034198	0	55	0.0	-75.02	419.00	7.84	-67.18
COC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=C1C	REAL300012034199	0	52	0.0	-71.92	398.06	4.34	-67.58
CCCN1C=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034200	0	52	0.0	-74.92	390.59	7.97	-66.95
O=C([O-])C12CC(C[NH2+]CC3=CC=CNC3=O)(C1)OC21CCOCC1	REAL300012034201	0	46	0.0	-69.95	354.39	3.87	-66.08
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=C4OCOC4=C3)(C1)OC21CCOCC1	REAL300012034202	0	53	0.0	-80.51	409.69	7.00	-73.51
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CC4CCC4)C=C3)(C1)OC21CCOCC1	REAL300012034203	0	59	0.0	-71.74	443.69	10.57	-61.17
CCC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=NN1CC	REAL300012034204	0	55	0.0	-73.45	411.68	7.00	-66.45
O=C([O-])C12CC(C[NH2+]CC3=C(F)C=CC(Cl)=C3F)(C1)OC21CCOCC1	REAL300012034205	0	46	0.0	-69.48	379.34	7.60	-61.88
O=C([O-])C12CC(C[NH2+]CC3=CC(C4CC4)=NN3)(C1)OC21CCOCC1	REAL300012034206	0	50	0.0	-79.98	384.14	5.52	-74.46
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3C3CC3(F)F)(C1)OC21CCOCC1	REAL300012034207	0	50	0.0	-84.07	395.32	6.53	-77.54
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=CS1	REAL300012034208	0	47	0.0	-68.17	373.87	5.51	-62.66
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C(F)(F)F)=CO1	REAL300012034209	0	49	0.0	-71.64	391.68	6.87	-64.77
CC(F)(F)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034210	0	52	0.0	-75.17	403.97	8.47	-66.70
CN1C=C(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300012034211	0	53	0.0	-75.61	411.04	4.65	-70.96
CCCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1Cl	REAL300012034212	0	55	0.0	-70.56	432.24	7.22	-63.34
CC(C)(C#N)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300012034213	0	52	0.0	-75.73	417.44	6.28	-69.45
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(F)=C3F)(C1)OC21CCOCC1	REAL300012034214	0	46	0.0	-77.87	369.57	7.26	-70.61
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CSC=C4)C=C3)(C1)OC21CCOCC1	REAL300012034215	0	53	0.0	-75.15	418.15	9.47	-65.68
CC(C)(C)C1=NNC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034216	0	55	0.0	-79.08	414.51	5.89	-73.19
C=CCC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034217	0	53	0.0	-71.58	399.40	8.95	-62.63
COCC1=CN=C(OC)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034218	0	56	0.0	-72.28	432.42	3.60	-68.68
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=CC=C3)(C1)OC21CCOCC1	REAL300012034219	0	50	0.0	-73.89	383.61	8.35	-65.54
O=C([O-])C12CC(C[NH2+]CC3=CN=NN3C3CC3)(C1)OC21CCOCC1	REAL300012034220	0	49	0.0	-85.17	379.01	5.07	-80.10
COCC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034221	0	53	0.0	-74.42	398.71	6.94	-67.48
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCOCC4=C3)(C1)OC21CCOCC1	REAL300012034222	0	54	0.0	-73.69	404.48	7.03	-66.66
O=C([O-])C12CC(C[NH2+]CC3=CN(CCO)N=C3)(C1)OC21CCOCC1	REAL300012034223	0	50	0.0	-77.88	388.09	2.39	-75.49
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=NC=C4)=NN3)(C1)OC21CCOCC1	REAL300012034224	0	52	0.0	-85.64	407.14	5.23	-80.41
COC1=CC=C(F)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1OC	REAL300012034225	0	54	0.0	-66.50	415.12	6.23	-60.27
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=NC=C3)(C1)OC21CCOCC1	REAL300012034226	0	49	0.0	-77.72	376.82	6.49	-71.23
CN1C=CC(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012034227	0	53	0.0	-70.92	412.78	5.12	-65.80
C=CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012034228	0	50	0.0	-73.18	383.70	8.13	-65.05
CC(F)(F)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034229	0	52	0.0	-66.63	391.25	8.49	-58.14
CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C2CC2)=N1	REAL300012034230	0	56	0.0	-74.98	427.13	7.79	-67.19
CC(C)(C)C1=NOC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034231	0	54	0.0	-77.30	395.85	6.86	-70.44
O=C([O-])C12CC(C[NH2+]CC3=CC4=CN=CC=C4C=C3)(C1)OC21CCOCC1	REAL300012034232	0	51	0.0	-81.14	393.52	7.54	-73.60
CC1=CC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=C2O1	REAL300012034233	0	52	0.0	-71.53	401.55	8.23	-63.30
COC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1OC	REAL300012034234	0	51	0.0	-71.98	405.29	5.10	-66.88
O=C([O-])C12CC(C[NH2+]CC3=CON=C3C3CCC3)(C1)OC21CCOCC1	REAL300012034235	0	52	0.0	-78.73	395.46	7.03	-71.70
CS(=O)(=O)C1=COC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034236	0	49	0.0	-83.65	396.38	2.64	-81.01
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1F	REAL300012034237	0	56	0.0	-80.95	428.05	7.98	-72.97
CCN1C=C(Cl)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012034238	1	49	0.0	-66.98	391.74	6.02	-60.96
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(Cl)=C3F)(C1)OC21CCOCC1	REAL300012034239	0	46	0.0	-80.52	379.12	7.65	-72.87
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C(F)F)=C3)(C1)OC21CCOCC1	REAL300012034240	0	49	0.0	-74.79	382.94	7.81	-66.98
O=C([O-])C12CC(C[NH2+]CC3=C(F)C4=CC=CC=C4C=C3)(C1)OC21CCOCC1	REAL300012034241	0	52	0.0	-72.49	402.85	9.34	-63.15
O=C([O-])C12CC(C[NH2+]CC3=CSC(Cl)=C3)(C1)OC21CCOCC1	REAL300012034242	0	43	0.0	-76.31	359.55	6.62	-69.69
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=NN1C1CCC1	REAL300012034243	0	56	0.0	-75.05	420.03	7.57	-67.48
CC1=NN(C2CCCC2)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034244	0	59	0.0	-79.47	440.61	8.14	-71.33
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3CC(F)F)(C1)OC21CCOCC1	REAL300012034245	0	49	0.0	-84.85	383.22	5.88	-78.97
O=C([O-])C12CC(C[NH2+]CC3=C(F)C=CN=C3Cl)(C1)OC21CCOCC1	REAL300012034246	0	45	0.0	-69.56	366.86	5.69	-63.87
CN(C)C1=CN=CC(F)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034247	0	53	0.0	-66.86	404.59	5.04	-61.82
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034248	0	55	0.0	-78.02	428.62	7.42	-70.60
O=C([O-])C12CC(C[NH2+]CC3=NN(C4CCC4)C=C3)(C1)OC21CCOCC1	REAL300012034249	0	53	0.0	-68.71	398.98	6.63	-62.08
O=C([O-])C12CC(C[NH2+]CC3=NN(CC(F)F)C=C3)(C1)OC21CCOCC1	REAL300012034250	0	49	0.0	-72.51	387.02	5.85	-66.66
O=C([O-])C12CC(C[NH2+]CC3=NN(C4CC4(F)F)C=C3)(C1)OC21CCOCC1	REAL300012034251	0	50	0.0	-73.68	396.68	6.39	-67.29
O=C([O-])C12CC(C[NH2+]CC3=CN(C4CCOCC4)N=C3)(C1)OC21CCOCC1	REAL300012034252	0	57	0.0	-74.34	426.18	5.59	-68.75
CC1=CN(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012034253	0	49	0.0	-74.19	373.19	5.94	-68.25
O=C([O-])C12CC(C[NH2+]CC3=NN(C4CCCC4)C=C3)(C1)OC21CCOCC1	REAL300012034254	0	56	0.0	-70.67	418.11	7.44	-63.23
O=C([O-])C12CC(C[NH2+]CC3=NC=C(Cl)C=C3Cl)(C1)OC21CCOCC1	REAL300012034255	0	45	0.0	-68.78	378.37	6.13	-62.65
CC1=NSC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034256	0	45	0.0	-77.21	351.63	5.17	-72.04
CC1=NN(C2CCCC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034257	0	59	0.0	-75.22	437.66	8.12	-67.10
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3C(F)F)(C1)OC21CCOCC1	REAL300012034258	0	49	0.0	-68.81	375.97	8.07	-60.74
O=C([O-])C12CC(C[NH2+]CC3=CC4=CNN=C4C=C3)(C1)OC21CCOCC1	REAL300012034259	0	49	0.0	-80.85	377.02	5.66	-75.19
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C(F)=C3F)(C1)OC21CCOCC1	REAL300012034260	0	46	0.0	-80.76	379.55	7.66	-73.10
CC1=C(F)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034261	0	49	0.0	-75.21	371.48	7.53	-67.68
CN1C=C(C2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=C2)C=N1	REAL300012034262	0	56	0.0	-76.44	430.89	8.23	-68.21
COC1=C(C#N)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034263	0	51	0.0	-80.71	402.23	6.87	-73.84
O=C([O-])C12CC(C[NH2+]CC3=CC=NC(Br)=C3)(C1)OC21CCOCC1	REAL300012034264	0	45	0.0	-82.09	368.87	5.78	-76.31
CC1=NC(Cl)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034265	0	48	0.0	-81.28	379.12	6.31	-74.97
COC1=CC(Cl)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034266	0	50	0.0	-74.86	397.00	6.76	-68.10
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC(F)=C1F	REAL300012034267	0	50	0.0	-87.86	394.34	6.51	-81.35
COC1=CC(C)=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034268	0	52	0.0	-71.48	397.57	5.28	-66.20
CC(C)N1C=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034269	0	52	0.0	-70.05	395.82	7.65	-62.40
CN1N=CC=C1C1=NNC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034270	0	53	0.0	-78.17	413.81	4.73	-73.44
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C2CC2)=NO1	REAL300012034271	0	52	0.0	-79.32	401.79	7.46	-71.86
COC(=O)C1=C(C)NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1C	REAL300012034272	0	56	0.0	-82.93	435.04	6.82	-76.11
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)O1	REAL300012034273	0	53	0.0	-75.38	408.24	7.31	-68.07
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=CC4=C3OCO4)(C1)OC21CCOCC1	REAL300012034274	0	49	0.0	-67.37	392.40	6.15	-61.22
N#CC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034275	0	47	0.0	-86.39	379.59	7.53	-78.86
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4CCCCC4)C=C3)(C1)OC21CCOCC1	REAL300012034276	0	62	0.0	-71.88	454.43	10.85	-61.03
COC1=CC=CC=C1C=CC[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034277	0	54	0.0	-72.31	410.18	7.60	-64.71
CC1=NN(C2CCC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034278	0	56	0.0	-75.67	420.14	7.46	-68.21
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=NN1CC(F)F	REAL300012034279	0	52	0.0	-77.97	405.26	6.36	-71.61
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=N4)N=C3)(C1)OC21CCOCC1	REAL300012034280	0	54	0.0	-79.95	419.95	7.29	-72.66
CCCN1N=C(C)C(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034281	0	55	0.0	-76.49	434.92	7.33	-69.16
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034282	0	53	0.0	-83.78	415.83	6.31	-77.47
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C)=N1	REAL300012034283	0	52	0.0	-78.65	394.43	4.37	-74.28
CCN(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C)=C1	REAL300012034284	0	60	0.0	-70.55	440.45	9.05	-61.50
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C(Cl)=CS3)(C1)OC21CCOCC1	REAL300012034285	0	43	0.0	-71.82	373.99	7.09	-64.73
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=NS1	REAL300012034286	0	45	0.0	-78.57	355.10	5.51	-73.06
COC1=CC(C)=CC(OC)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034287	0	57	0.0	-62.58	429.16	6.39	-56.19
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=NO1	REAL300012034288	0	45	0.0	-79.14	347.53	5.34	-73.80
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CF)C=C3)(C1)OC21CCOCC1	REAL300012034289	0	49	0.0	-75.08	380.56	7.86	-67.22
O=C([O-])C12CC(C[NH2+]CC3=CC=C4SC=CC4=C3)(C1)OC21CCOCC1	REAL300012034290	0	49	0.0	-76.16	387.69	8.32	-67.84
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3)(C1)OC21CCOCC1	REAL300012034291	0	55	0.0	-78.81	421.99	8.71	-70.10
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3CO)(C1)OC21CCOCC1	REAL300012034292	0	50	0.0	-76.03	376.46	4.53	-71.50
CC1=NSC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034293	0	48	0.0	-77.03	373.32	5.79	-71.24
CC(C)(C)C1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=NO1	REAL300012034294	0	54	0.0	-75.25	395.52	7.14	-68.11
CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1C(F)(F)F	REAL300012034295	0	52	0.0	-66.58	393.24	8.44	-58.14
C=CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300012034296	0	50	0.0	-76.70	389.47	6.31	-70.39
O=C([O-])C12CC(C[NH2+]CC3=CC4=NNC=C4C=C3)(C1)OC21CCOCC1	REAL300012034297	0	49	0.0	-77.83	378.57	5.80	-72.03
CCC(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300012034298	0	58	0.0	-71.82	431.25	9.64	-62.18
CC(F)(F)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300012034299	0	51	0.0	-78.10	401.43	7.03	-71.07
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3CCCC4)(C1)OC21CCOCC1	REAL300012034300	0	56	0.0	-72.45	407.69	9.44	-63.01
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034301	0	53	0.0	-77.90	411.31	8.91	-68.99
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4C=CN=N4)C=C3)(C1)OC21CCOCC1	REAL300012034302	0	52	0.0	-87.14	404.95	6.96	-80.18
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=CC2=CC=CC=C21	REAL300012034303	0	55	0.0	-74.40	409.29	9.83	-64.57
COC1=C2C=CNC2=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034304	0	54	0.0	-71.51	413.25	6.50	-65.01
CC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C(C)S1	REAL300012034305	0	48	0.0	-68.03	376.67	5.39	-62.64
CCCN1N=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1C	REAL300012034306	0	55	0.0	-72.93	413.61	6.84	-66.09
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C2=NC=CC=C2C=C1	REAL300012034307	0	54	0.0	-67.22	408.06	8.16	-59.06
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CN=C1N1C=CC=N1	REAL300012034308	0	55	0.0	-82.50	422.90	8.28	-74.22
COC(=O)C1=CN(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300012034309	0	53	0.0	-82.33	414.44	7.18	-75.15
CCCN1N=C(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300012034310	0	55	0.0	-77.67	413.67	6.91	-70.76
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C2CCC2)=N1	REAL300012034311	0	56	0.0	-76.71	423.52	7.51	-69.20
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)O1	REAL300012034312	0	54	0.0	-76.06	411.52	4.58	-71.48
CC1=CC=C(N2C=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C(C(C)(C)C)=N2)C=C1	REAL300012034313	0	55	0.0	-61.99	415.30	11.86	-50.13
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OCC1=CC=CC=C1	REAL300012034314	0	51	0.0	-67.06	408.63	10.74	-56.32
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034315	0	43	0.0	-63.81	367.86	9.62	-54.19
COC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034316	0	54	0.0	-68.68	432.89	11.43	-57.25
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CC=C2)C1	REAL300012034317	0	50	0.0	-66.47	403.41	12.13	-54.34
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012034318	0	51	0.0	-67.61	425.37	11.26	-56.35
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OCC1=CC=C(F)C=C1	REAL300012034319	0	51	0.0	-68.33	415.05	10.81	-57.52
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=C2)C=C1	REAL300012034320	0	51	0.0	-72.16	409.61	8.88	-63.28
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(NC(=O)C3=CC=CC=C3Cl)=C2)C1	REAL300012034321	0	47	0.0	-72.45	392.44	10.09	-62.36
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OCC(=O)N1CCOCC1	REAL300012034322	0	56	0.0	-76.00	437.76	7.79	-68.21
CC1(C(=O)[O-])CC([NH2+]CC2=CN(CCC#N)N=C2C2=CC=CC=C2)C1	REAL300012034323	0	47	0.0	-66.36	389.70	10.09	-56.27
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300012034324	0	41	0.0	-66.77	336.63	7.05	-59.72
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CC(Cl)=C2)C1	REAL300012034325	0	50	0.0	-66.30	420.06	12.63	-53.67
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CN=C2)C1	REAL300012034326	0	49	0.0	-68.45	398.11	10.35	-58.10
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=C(Cl)C=C2)C1	REAL300012034327	0	50	0.0	-69.01	420.15	12.66	-56.35
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=C(Br)C=C3)O2)C1	REAL300012034328	0	40	0.0	-64.62	349.61	10.07	-54.55
CCOC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(Br)=C1OC	REAL300012034329	0	44	0.0	-61.72	370.81	8.38	-53.34
CCOC1=C(Br)C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300012034330	0	44	0.0	-60.52	370.73	8.42	-52.10
C=CCOC1=C(Br)C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300012034331	0	45	0.0	-60.76	383.72	8.99	-51.77
C=CCOC1=C(Br)C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OCC	REAL300012034332	0	48	0.0	-61.34	405.57	9.91	-51.43
CCCOC1=C(Br)C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300012034333	0	47	0.0	-60.36	392.31	9.22	-51.14
CCCOC1=CC=C(Br)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034334	0	43	0.0	-56.50	360.86	9.27	-47.23
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)C1	REAL300012034335	0	47	0.0	-54.21	377.91	10.91	-43.30
CCCCCOC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034336	0	49	0.0	-61.83	383.97	10.16	-51.67
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)C1	REAL300012034337	0	42	0.0	-66.45	354.84	10.09	-56.36
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)C1	REAL300012034338	0	42	0.0	-71.05	356.50	10.12	-60.93
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300012034339	0	37	0.0	-63.91	318.04	7.53	-56.38
CCCCOC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300012034340	0	50	0.0	-65.29	391.72	9.27	-56.02
CCCOC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300012034341	0	47	0.0	-65.92	370.23	8.49	-57.43
C=CCOC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300012034342	0	45	0.0	-66.45	361.63	8.27	-58.18
CCCCCCOC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300012034343	0	56	0.0	-65.03	434.71	10.83	-54.20
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)C1	REAL300012034344	0	40	0.0	-64.55	345.04	9.97	-54.58
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)C1	REAL300012034345	0	40	0.0	-63.81	345.16	10.01	-53.80
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC(Br)=C3)O2)C1	REAL300012034346	0	40	0.0	-61.92	347.94	10.03	-51.89
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)C1	REAL300012034347	0	40	0.0	-63.27	352.64	10.86	-52.41
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(OC)=C1OCC1=CC=CC=C1	REAL300012034348	0	55	0.0	-70.24	441.79	10.68	-59.56
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)C1	REAL300012034349	0	42	0.0	-69.33	352.41	10.74	-58.59
CN1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012034350	0	52	0.0	-72.36	410.12	8.66	-63.70
CC1(C(=O)[O-])CC([NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300012034351	0	39	0.0	-63.43	339.32	8.42	-55.01
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OC(F)(F)F)C1	REAL300012034352	0	37	0.0	-61.08	306.75	7.66	-53.42
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(SC(F)(F)F)C=C2)C1	REAL300012034353	0	37	0.0	-65.38	324.52	9.04	-56.34
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C([N+](=O)[O-])C=C1O	REAL300012034354	0	40	0.0	-70.52	324.23	5.15	-65.37
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300012034355	0	37	0.0	-65.17	314.12	7.37	-57.80
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S2)C1	REAL300012034356	0	42	0.0	-69.62	364.10	11.01	-58.61
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)C1	REAL300012034357	0	42	0.0	-68.43	364.67	11.06	-57.37
CC1(C(=O)[O-])CC([NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C1	REAL300012034358	0	40	0.0	-68.89	330.68	7.49	-61.40
COC1=CC=C(C2=NNC=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034359	0	44	0.0	-62.37	353.53	6.72	-55.65
CCOC1=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C)=NN1CC(C)C	REAL300012034360	0	52	0.0	-56.58	394.29	7.65	-48.93
CC1(C(=O)[O-])CC([NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)C1	REAL300012034361	0	46	0.0	-70.71	368.74	6.58	-64.13
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OCC3CCCO3)C=C2)C1	REAL300012034362	0	48	0.0	-64.33	376.44	8.18	-56.15
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)C1	REAL300012034363	0	40	0.0	-63.71	342.32	10.41	-53.30
CC1=CC=CC(C2=NN(C3=CC=C(F)C=C3)C=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034364	0	53	0.0	-68.20	431.21	12.87	-55.33
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)C1	REAL300012034365	0	46	0.0	-59.22	370.74	9.20	-50.02
COC1=NC2=CC=CC=C2C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034366	0	42	0.0	-65.42	338.93	6.57	-58.85
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=C(Br)C=C3)S2)C1	REAL300012034367	0	40	0.0	-63.28	357.20	10.97	-52.31
CC(C)N1N=CC2=CC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=C(Cl)N=C21	REAL300012034368	0	44	0.0	-70.00	366.92	8.67	-61.33
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)C1	REAL300012034369	0	40	0.0	-62.38	352.74	10.86	-51.52
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OCC1=CC=NC=C1	REAL300012034370	0	50	0.0	-69.70	403.52	8.97	-60.73
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)C1	REAL300012034371	0	40	0.0	-63.46	345.13	10.52	-52.94
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC=C3Br)S2)C1	REAL300012034372	0	40	0.0	-62.28	356.30	10.93	-51.35
CC1(C(=O)[O-])CC([NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)C1	REAL300012034373	0	36	0.0	-60.79	318.65	9.03	-51.76
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)C1	REAL300012034374	0	36	0.0	-68.80	312.45	8.62	-60.18
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(F)C=C2C(F)(F)F)C1	REAL300012034375	0	36	0.0	-63.19	303.08	8.70	-54.49
CC1(C(=O)[O-])CC([NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300012034376	0	36	0.0	-60.88	311.00	8.58	-52.30
CC1(C(=O)[O-])CC([NH2+]CC2=CC(C(F)(F)F)=CC=C2F)C1	REAL300012034377	0	36	0.0	-62.38	311.32	8.60	-53.78
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(Cl)=C1OC	REAL300012034378	0	41	0.0	-59.33	342.72	7.34	-51.99
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034379	0	49	0.0	-62.71	403.44	10.85	-51.86
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC(Br)=C3)S2)C1	REAL300012034380	0	40	0.0	-63.77	357.21	10.95	-52.82
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=CC=C2OC(F)F)C1	REAL300012034381	0	37	0.0	-61.60	322.70	7.71	-53.89
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C1	REAL300012034382	0	40	0.0	-63.83	352.65	10.85	-52.98
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OCC3=CC=CC(C#N)=C3)=C2)C1	REAL300012034383	0	48	0.0	-64.70	400.26	11.25	-53.45
CC1(C(=O)[O-])CC([NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)C1	REAL300012034384	0	43	0.0	-72.45	350.50	6.07	-66.38
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OCC(F)(F)F	REAL300012034385	0	44	0.0	-69.80	368.30	8.15	-61.65
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C1	REAL300012034386	0	46	0.0	-65.46	374.27	9.09	-56.37
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=C3OCCOC3=C2)C1	REAL300012034387	0	39	0.0	-66.60	332.97	7.39	-59.21
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=C3OCCCOC3=C2)C1	REAL300012034388	0	42	0.0	-61.48	349.14	8.11	-53.37
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(N3C=CC(C(F)(F)F)=N3)C=C2)C1	REAL300012034389	0	43	0.0	-72.40	367.65	9.73	-62.67
CC1(C(=O)[O-])CC([NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C1	REAL300012034390	0	38	0.0	-66.36	328.33	6.48	-59.88
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034391	0	45	0.0	-66.58	347.76	9.10	-57.48
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=N1	REAL300012034392	0	49	0.0	-63.06	383.98	7.44	-55.62
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C1	REAL300012034393	0	40	0.0	-62.50	339.06	8.26	-54.24
CCCN1C2=CC=CC=C2N=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034394	0	45	0.0	-67.10	358.62	9.57	-57.53
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(Br)=C1OC(F)F	REAL300012034395	0	41	0.0	-62.65	356.28	7.73	-54.92
CC1(C(=O)[O-])CC([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C1	REAL300012034396	0	40	0.0	-62.11	334.12	10.14	-51.97
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C1	REAL300012034397	0	47	0.0	-59.76	362.85	9.79	-49.97
CN1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012034398	0	46	0.0	-58.54	376.94	9.57	-48.97
CC1=CC=C(C2=NC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=CS2)C=C1	REAL300012034399	0	42	0.0	-62.20	354.32	9.03	-53.17
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C1	REAL300012034400	0	47	0.0	-62.74	383.11	11.02	-51.72
CC1(C(=O)[O-])CC([NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)C1	REAL300012034401	0	43	0.0	-59.35	362.82	7.83	-51.52
CC1(C(=O)[O-])CC([NH2+]CC2=CSC(C3=CC=C(C(F)(F)F)C=C3)=N2)C1	REAL300012034402	0	42	0.0	-64.39	371.61	9.35	-55.04
CC1(C(=O)[O-])CC([NH2+]CC2=CSC(COC3=CC=C(Cl)C=C3)=N2)C1	REAL300012034403	0	43	0.0	-59.73	379.56	8.35	-51.38
CC1=CC=C(OCC2=NC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=CS2)C=C1	REAL300012034404	0	46	0.0	-64.64	385.91	8.54	-56.10
COC1=CC=C(OCC2=NC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=CS2)C=C1	REAL300012034405	0	47	0.0	-66.06	394.00	7.16	-58.90
CC1(C(=O)[O-])CC([NH2+]CC2=CSC(C3=CSC=C3)=N2)C1	REAL300012034406	0	36	0.0	-62.02	323.95	7.29	-54.73
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C1	REAL300012034407	0	40	0.0	-64.78	342.33	10.41	-54.37
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034408	0	47	0.0	-57.17	375.15	8.44	-48.73
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C([N+](=O)[O-])C=C1OCC(F)(F)F	REAL300012034409	0	46	0.0	-63.16	387.99	8.70	-54.46
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OC2CCCC2)C1	REAL300012034410	0	47	0.0	-53.91	361.79	9.82	-44.09
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034411	0	50	0.0	-60.96	400.15	8.50	-52.46
CC1=CC=C(C2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)S2)C=C1	REAL300012034412	0	43	0.0	-62.33	357.32	11.02	-51.31
COC1=CC(OC)=CC(OC2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C=C2)=C1	REAL300012034413	0	52	0.0	-66.35	417.52	9.11	-57.24
CC1(C(=O)[O-])CC([NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C1	REAL300012034414	0	39	0.0	-69.93	334.18	7.86	-62.07
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034415	0	37	0.0	-60.25	330.31	8.00	-52.25
CCOCCOC1=CC=C(Br)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034416	0	47	0.0	-56.67	394.84	8.69	-47.98
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=CC=C2Cl)C1	REAL300012034417	0	33	0.0	-56.39	302.07	8.62	-47.77
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=CC=C2Br)C1	REAL300012034418	0	33	0.0	-55.54	301.08	8.61	-46.93
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)C1	REAL300012034419	0	44	0.0	-64.01	369.64	10.56	-53.45
CCOC1=C(OC)C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300012034420	0	48	0.0	-69.24	381.88	7.63	-61.61
COCCCOC1=CC=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034421	0	47	0.0	-61.51	374.65	7.67	-53.84
COC1=CC=C(OC(F)F)C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034422	0	41	0.0	-60.78	335.44	6.47	-54.31
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(Br)=C2OC(F)F)C1	REAL300012034423	0	37	0.0	-58.92	323.69	7.79	-51.13
CC1(C(=O)[O-])CC([NH2+]CC2=C(Cl)C=CC=C2OC(F)F)C1	REAL300012034424	0	37	0.0	-57.04	320.10	7.61	-49.43
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OCCCC3=CC=CC=C3)=C2)C1	REAL300012034425	0	53	0.0	-61.38	422.39	12.40	-48.98
CC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OC1=CC=CN=C1	REAL300012034426	0	46	0.0	-66.67	371.28	9.28	-57.39
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OCC(=O)NCC2CC2)C1	REAL300012034427	0	51	0.0	-56.90	409.76	8.84	-48.06
CC1=CC=C(C2=NC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)S2)C=C1	REAL300012034428	0	42	0.0	-63.32	354.50	9.26	-54.06
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C1	REAL300012034429	0	38	0.0	-55.86	324.54	8.61	-47.25
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C1	REAL300012034430	0	38	0.0	-57.16	322.40	8.51	-48.65
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)C1	REAL300012034431	0	40	0.0	-65.12	342.81	9.62	-55.50
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)O1	REAL300012034432	0	43	0.0	-64.81	355.19	10.20	-54.61
CCC1=CC=C(C2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)O2)C=C1	REAL300012034433	0	46	0.0	-63.48	371.20	10.89	-52.59
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(OC(F)F)=C1	REAL300012034434	0	41	0.0	-62.51	335.43	6.49	-56.02
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C1	REAL300012034435	0	41	0.0	-65.62	334.84	9.32	-56.30
CC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300012034436	0	36	0.0	-63.20	307.62	8.76	-54.44
CC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300012034437	0	36	0.0	-63.44	307.61	8.76	-54.68
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)O2)C=C1	REAL300012034438	0	52	0.0	-63.27	404.42	11.77	-51.50
CC1=CC=C(C)C(OC2=CC=CC(Cl)=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1C	REAL300012034439	0	53	0.0	-52.74	427.87	12.83	-39.91
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034440	0	53	0.0	-54.75	390.36	11.22	-43.53
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034441	0	53	0.0	-56.96	410.50	10.67	-46.29
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C=C2C)=C1	REAL300012034442	0	56	0.0	-63.88	444.89	13.14	-50.74
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1C	REAL300012034443	0	56	0.0	-63.75	437.32	13.06	-50.69
CC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300012034444	0	53	0.0	-63.29	434.31	12.96	-50.33
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034445	0	51	0.0	-64.19	394.77	12.58	-51.61
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034446	0	49	0.0	-62.79	403.66	10.56	-52.23
CCN(CC)C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1F	REAL300012034447	0	47	0.0	-63.83	368.59	8.74	-55.09
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C(SC)C=C1OC	REAL300012034448	0	45	0.0	-58.52	362.43	7.69	-50.83
COC1=CC=C2N=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)SC2=C1	REAL300012034449	0	39	0.0	-63.01	328.04	6.34	-56.67
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034450	0	39	0.0	-63.23	330.38	8.40	-54.83
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(SC(F)F)C=C2)C1	REAL300012034451	0	37	0.0	-64.50	317.94	8.84	-55.66
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C1	REAL300012034452	0	37	0.0	-67.78	313.61	7.22	-60.56
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034453	0	39	0.0	-64.25	321.64	9.18	-55.07
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300012034454	0	41	0.0	-60.90	344.57	7.35	-53.55
CCOC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OC(C)C(=O)N(C)C	REAL300012034455	0	57	0.0	-75.93	441.58	9.48	-66.45
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=CC=C2OC(F)F)C1	REAL300012034456	0	37	0.0	-61.57	327.27	7.81	-53.76
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034457	0	49	0.0	-58.98	408.39	10.73	-48.25
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OCC(C)C	REAL300012034458	0	50	0.0	-65.35	390.32	9.17	-56.18
CCCOC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OC	REAL300012034459	0	47	0.0	-65.70	370.22	8.49	-57.21
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Br)S2)C1	REAL300012034460	0	30	0.0	-63.08	273.17	7.70	-55.38
CCOC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300012034461	0	44	0.0	-61.93	366.42	8.27	-53.66
COC1=CC=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1OC(C)C	REAL300012034462	0	47	0.0	-57.37	366.55	8.55	-48.82
CCOC1=C(Cl)C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300012034463	0	44	0.0	-60.73	366.43	8.31	-52.42
CCCOC1=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=CC=C1OCC	REAL300012034464	0	50	0.0	-60.91	392.95	9.56	-51.35
CCCCOC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OC	REAL300012034465	0	50	0.0	-65.59	391.72	9.27	-56.32
CCCOC1=C(Cl)C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OCC	REAL300012034466	0	50	0.0	-61.11	409.78	10.03	-51.08
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034467	0	49	0.0	-62.80	404.16	11.20	-51.60
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC(F)F	REAL300012034468	0	41	0.0	-66.14	336.63	7.06	-59.08
CCOC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300012034469	0	44	0.0	-66.55	358.48	7.97	-58.58
CC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(C)=C1OC(F)F	REAL300012034470	0	43	0.0	-64.19	345.44	8.56	-55.63
CC1(C(=O)[O-])CC([NH2+]CC2=CSC(C3=CC=CC(Br)=C3)=N2)C1	REAL300012034471	0	39	0.0	-63.88	354.21	8.96	-54.92
CC1=CC=C(C2=NN(C3=CC=C(F)C=C3)C=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034472	0	53	0.0	-68.18	431.03	12.87	-55.31
CCOC1=CC2=C(C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1)OC(C)C2	REAL300012034473	0	48	0.0	-56.76	375.07	8.44	-48.32
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC2=C1OCCO2	REAL300012034474	0	43	0.0	-68.30	341.82	6.60	-61.70
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1	REAL300012034475	0	42	0.0	-70.78	362.55	8.99	-61.79
CCCCN1N=C(C)C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1Cl	REAL300012034476	0	45	0.0	-58.12	371.08	8.62	-49.50
CCOC1=CC=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1OC(F)F	REAL300012034477	0	44	0.0	-57.83	356.91	8.04	-49.79
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OCC(=O)N2CCCC2)C1	REAL300012034478	0	51	0.0	-56.87	402.30	9.72	-47.15
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1C	REAL300012034479	0	56	0.0	-66.17	441.70	13.33	-52.84
CC1=CC=CC(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034480	0	56	0.0	-66.46	450.11	13.24	-53.22
CC1(C(=O)[O-])CC([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2C2=CC=CC=C2)C1	REAL300012034481	0	53	0.0	-62.05	428.73	12.59	-49.46
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C1	REAL300012034482	0	40	0.0	-62.28	335.92	10.34	-51.94
CCCOC1=C(Cl)C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300012034483	0	47	0.0	-60.61	387.92	9.11	-51.50
CC1=CC=C(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034484	0	56	0.0	-66.29	450.23	13.27	-53.02
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034485	0	55	0.0	-60.50	419.56	11.63	-48.87
CC(C)(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034486	0	52	0.0	-59.43	411.40	11.29	-48.14
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034487	0	52	0.0	-60.15	428.93	11.35	-48.80
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)C1	REAL300012034488	0	40	0.0	-67.90	343.02	9.63	-58.27
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034489	0	56	0.0	-65.92	436.80	10.02	-55.90
CN1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C2CCCCC2)=N1	REAL300012034490	0	49	0.0	-62.90	374.91	9.09	-53.81
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034491	0	52	0.0	-63.54	406.04	11.87	-51.67
CC1(C(=O)[O-])CC([NH2+]CC2=NC3=C(CC(C)(C)CC3)S2)C1	REAL300012034492	0	45	0.0	-59.41	350.62	8.19	-51.22
CC1(C(=O)[O-])CC([NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)C1	REAL300012034493	0	40	0.0	-67.79	341.00	7.94	-59.85
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OCC1=C(C)ON=C1C	REAL300012034494	0	53	0.0	-70.45	425.92	9.52	-60.93
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C1	REAL300012034495	0	40	0.0	-65.01	336.71	9.57	-55.44
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=C3OCCOC3=C2)C1	REAL300012034496	0	39	0.0	-66.77	328.59	7.26	-59.51
CCCCC1=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300012034497	0	48	0.0	-60.57	376.23	11.07	-49.50
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C1	REAL300012034498	0	46	0.0	-71.72	375.02	12.24	-59.48
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OCC1=CC=CS1	REAL300012034499	0	48	0.0	-66.85	398.87	9.82	-57.03
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034500	0	46	0.0	-66.09	371.92	9.74	-56.35
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300012034501	0	42	0.0	-61.75	344.75	7.99	-53.76
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OCC3=CC=CC=C3Cl)=C2)C1	REAL300012034502	0	47	0.0	-62.09	392.56	11.43	-50.66
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)C1	REAL300012034503	0	40	0.0	-72.82	345.28	8.34	-64.48
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)C1	REAL300012034504	0	39	0.0	-64.94	342.81	8.12	-56.82
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C1	REAL300012034505	0	39	0.0	-70.34	343.56	7.95	-62.39
CC1=CC(Br)=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1OC(F)F	REAL300012034506	0	40	0.0	-58.28	343.32	8.41	-49.87
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=C(Cl)S2)C1	REAL300012034507	0	30	0.0	-64.30	295.80	7.87	-56.43
CC1=CC=C(SC2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C=C2[N+](=O)[O-])C=C1	REAL300012034508	0	49	0.0	-75.10	411.97	12.76	-62.34
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300012034509	0	50	0.0	-78.71	403.63	12.52	-66.19
COC1=CC=C(C2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)O2)C([N+](=O)[O-])=C1	REAL300012034510	0	46	0.0	-70.49	381.85	10.03	-60.46
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)O2)C1	REAL300012034511	0	40	0.0	-62.53	358.52	10.38	-52.15
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC3=CC=C(F)C=C3)C([N+](=O)[O-])=C2)C1	REAL300012034512	0	46	0.0	-77.00	389.24	11.79	-65.21
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC3=CC=CC=C3Cl)C([N+](=O)[O-])=C2)C1	REAL300012034513	0	46	0.0	-74.90	399.77	12.28	-62.62
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034514	0	46	0.0	-59.05	387.02	10.05	-49.00
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034515	0	46	0.0	-61.48	402.20	10.55	-50.93
CC1(C(=O)[O-])CC([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2C2=CC=CS2)C1	REAL300012034516	0	50	0.0	-58.25	416.12	11.87	-46.38
CC1(C(=O)[O-])CC([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2C2=CC=CN=C2)C1	REAL300012034517	0	52	0.0	-66.40	423.27	10.85	-55.55
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034518	0	43	0.0	-63.83	379.21	10.09	-53.74
CC1=NN(CC2=CC=C(Cl)C=C2)C(Cl)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034519	0	46	0.0	-59.75	403.72	10.57	-49.18
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300012034520	0	47	0.0	-65.90	366.66	8.31	-57.59
CCCOC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OCC	REAL300012034521	0	50	0.0	-65.75	392.08	9.41	-56.34
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034522	0	46	0.0	-60.45	393.39	10.12	-50.33
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Br)C(Br)=C2)C1	REAL300012034523	0	33	0.0	-65.43	308.38	8.73	-56.70
CCCCCCCOC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034524	0	55	0.0	-61.63	426.97	11.72	-49.91
CC(C[NH2+]C1CC(C)(C(=O)[O-])C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012034525	0	54	0.0	-60.07	401.03	11.93	-48.14
CC1(C(=O)[O-])CC([NH2+]CC2=C(Br)C=CS2)C1	REAL300012034526	0	30	0.0	-56.85	276.07	7.17	-49.68
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2N2CCOCC2)C1	REAL300012034527	0	46	0.0	-58.28	350.96	7.10	-51.18
CC1(C(=O)[O-])CC([NH2+]CC2=CC(F)=CC=C2Br)C1	REAL300012034528	0	33	0.0	-56.31	290.75	8.18	-48.13
CC1=CC=C(C2=CC=CC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=C2)C=C1	REAL300012034529	0	46	0.0	-62.38	363.74	11.65	-50.73
COC1=CC=C(Br)C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034530	0	37	0.0	-58.06	312.97	7.44	-50.62
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034531	0	46	0.0	-61.23	364.18	11.65	-49.58
CC1(C(=O)[O-])CC([NH2+]CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C1	REAL300012034532	0	39	0.0	-62.08	343.66	9.52	-52.56
CCOC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OCC	REAL300012034533	0	47	0.0	-65.87	370.58	8.61	-57.26
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300012034534	0	36	0.0	-67.85	320.02	8.98	-58.87
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(F)C=C2Br)C1	REAL300012034535	0	33	0.0	-57.47	290.75	8.17	-49.30
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300012034536	0	37	0.0	-63.55	314.12	7.37	-56.18
COC1=CC=CC=C1C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034537	0	47	0.0	-63.27	376.33	10.64	-52.63
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)C1	REAL300012034538	0	43	0.0	-61.99	365.68	10.43	-51.56
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(Br)=C1O	REAL300012034539	0	38	0.0	-58.51	323.70	5.28	-53.23
CC1(C(=O)[O-])CC([NH2+]CC2=CSC(Br)=C2)C1	REAL300012034540	0	30	0.0	-62.84	272.93	7.55	-55.29
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OCC1=CC=CN=C1	REAL300012034541	0	50	0.0	-70.01	403.47	8.96	-61.05
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)S2)C1	REAL300012034542	0	40	0.0	-65.20	367.80	11.31	-53.89
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=CC=C2OCC2=CC=CN=C2)C1	REAL300012034543	0	46	0.0	-59.86	389.54	9.63	-50.23
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C(C2=CC=CC=C2)C=C1OC	REAL300012034544	0	51	0.0	-62.59	399.19	10.16	-52.43
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C1	REAL300012034545	0	46	0.0	-59.86	366.87	9.36	-50.50
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OCC3=CC=C(Cl)C(Cl)=C3)C=C2)C1	REAL300012034546	0	47	0.0	-64.08	411.31	11.82	-52.26
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Br)C(F)=C2)C1	REAL300012034547	0	33	0.0	-66.69	295.13	8.24	-58.45
CN1CCN(C2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300012034548	1	50	0.0	-61.74	370.48	6.57	-55.17
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C1	REAL300012034549	0	42	0.0	-67.13	349.45	6.06	-61.07
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C1	REAL300012034550	0	40	0.0	-66.65	333.37	8.85	-57.80
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034551	0	46	0.0	-65.64	382.24	10.19	-55.45
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C1	REAL300012034552	0	40	0.0	-66.17	343.68	9.30	-56.87
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034553	0	46	0.0	-66.38	379.10	9.92	-56.46
CC1=NN(C2=CC=C(Br)C=C2)C(C)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034554	0	46	0.0	-65.62	386.80	10.29	-55.33
CC1(C(=O)[O-])CC([NH2+]CC2=C(Cl)N=C(SC3=CC=CC=C3)S2)C1	REAL300012034555	0	40	0.0	-59.02	371.92	9.49	-49.53
CC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(C)=C1OCC1=CC=CC=N1	REAL300012034556	0	52	0.0	-64.95	413.96	10.66	-54.29
COC1=CC=CC(COC2=CC=CC(Cl)=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034557	0	51	0.0	-55.88	421.61	10.61	-45.27
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300012034558	0	40	0.0	-64.82	339.05	8.26	-56.56
CCOC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OCC1=CC=CC=C1	REAL300012034559	0	54	0.0	-67.28	430.49	11.66	-55.62
CC(C)C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300012034560	0	44	0.0	-69.40	353.21	10.07	-59.33
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=C3OCOC3=C2)C1	REAL300012034561	0	36	0.0	-68.81	315.48	6.85	-61.96
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034562	0	49	0.0	-62.08	386.93	10.04	-52.04
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034563	0	49	0.0	-62.14	402.22	10.56	-51.58
CCOC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OCC(C)C	REAL300012034564	0	53	0.0	-65.47	412.18	10.09	-55.38
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=CC=C2F)C1	REAL300012034565	0	33	0.0	-58.14	294.93	8.20	-49.94
COC1=CC(Br)=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300012034566	0	41	0.0	-62.68	342.18	7.34	-55.34
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Br)C=C2F)C1	REAL300012034567	0	33	0.0	-59.43	294.94	8.21	-51.22
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=CS2)C1	REAL300012034568	0	30	0.0	-61.12	272.97	7.60	-53.52
CCCCOC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OCC	REAL300012034569	0	53	0.0	-65.75	413.57	10.19	-55.56
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC3=CC=C(Cl)C=C3[N+](=O)[O-])C=C2)C1	REAL300012034570	0	46	0.0	-68.28	399.60	12.26	-56.02
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034571	0	46	0.0	-66.05	363.46	9.63	-56.42
COC1=CC=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1OC(F)F	REAL300012034572	0	41	0.0	-58.02	335.05	7.12	-50.90
CCC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034573	0	56	0.0	-62.72	446.19	13.57	-49.15
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(CSC(F)F)O2)C1	REAL300012034574	0	37	0.0	-61.42	326.92	8.10	-53.32
CC1(C(=O)[O-])CC([NH2+]CC2=CC3=CC=CC=C3N=C2N2CCCCC2)C1	REAL300012034575	0	53	0.0	-60.03	406.07	10.83	-49.20
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(F)C(Br)=C2)C1	REAL300012034577	0	33	0.0	-66.31	295.13	8.23	-58.08
CC1=CC=C(COC2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C=C2)C=C1	REAL300012034578	0	50	0.0	-63.30	400.79	11.53	-51.77
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(N3CCCCC3)C=C2)C1	REAL300012034579	0	48	0.0	-60.81	354.20	9.15	-51.66
CCCCCCOC1=CC=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034580	0	52	0.0	-59.77	405.47	10.94	-48.83
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OCCCC#N)=C2)C1	REAL300012034581	0	44	0.0	-66.93	361.85	9.11	-57.82
CCCCCOC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OC	REAL300012034582	0	53	0.0	-65.52	413.22	10.05	-55.47
CCC(C)OC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OC	REAL300012034583	0	50	0.0	-65.25	387.40	9.10	-56.15
CCCCCCCOC1=CC=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034584	0	55	0.0	-59.76	426.97	11.72	-48.04
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OCCCC#N	REAL300012034585	0	48	0.0	-73.61	391.07	9.01	-64.60
C=C(C)COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OC	REAL300012034586	0	48	0.0	-66.23	381.04	9.05	-57.18
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OCCC(C)C	REAL300012034587	0	53	0.0	-65.41	409.29	9.79	-55.62
C=CCC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(OC)=C1O	REAL300012034588	0	45	0.0	-58.95	360.73	6.67	-52.28
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034589	0	42	0.0	-65.41	346.28	8.51	-56.90
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034590	0	43	0.0	-60.99	365.54	6.09	-54.90
CCOC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OCC(F)(F)F	REAL300012034591	0	47	0.0	-69.72	390.15	9.07	-60.65
CC1(C(=O)[O-])CC([NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C1	REAL300012034592	0	39	0.0	-59.97	331.22	8.33	-51.64
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)C1	REAL300012034593	0	46	0.0	-65.73	362.18	6.71	-59.02
C=CCOC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300012034594	0	41	0.0	-64.37	348.41	8.93	-55.44
CC1(C(=O)[O-])CC([NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C1	REAL300012034595	0	39	0.0	-63.41	333.10	8.58	-54.83
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C2OC(C)CC2=C1	REAL300012034596	0	45	0.0	-56.83	354.28	7.42	-49.41
CC1(C(=O)[O-])CC([NH2+]CC2=CSC(C3=CC=CS3)=N2)C1	REAL300012034597	0	36	0.0	-57.69	322.87	7.35	-50.34
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300012034598	0	36	0.0	-60.09	321.32	9.01	-51.08
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=CC(C(F)(F)F)=C2)C1	REAL300012034599	0	36	0.0	-60.01	325.89	9.11	-50.90
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Br)C=C2Cl)C1	REAL300012034600	0	33	0.0	-57.60	302.07	8.62	-48.98
CC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(Br)=C1	REAL300012034601	0	36	0.0	-53.55	305.77	8.77	-44.78
CC(C)(C)N1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C2=CC=CC=C2Cl)=N1	REAL300012034602	0	52	0.0	-61.46	422.28	11.27	-50.19
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OCC3=CC=CC=C3C#N)=C2)C1	REAL300012034603	0	48	0.0	-65.62	396.84	11.27	-54.35
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300012034604	0	37	0.0	-66.28	323.41	7.69	-58.59
CC1(C(=O)[O-])CC([NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)C1	REAL300012034605	0	41	0.0	-67.56	361.11	9.02	-58.54
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1Cl	REAL300012034606	0	43	0.0	-58.57	362.89	9.06	-49.51
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=CC3=C2OCC3)C1	REAL300012034607	0	38	0.0	-57.35	325.13	8.01	-49.34
CC1=C(Br)SC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034608	0	33	0.0	-63.19	299.57	8.00	-55.19
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Br)C3=CC=CN=C23)C1	REAL300012034609	0	38	0.0	-57.30	326.46	8.59	-48.71
COC1=CC=C(OC2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C=C2)C=C1	REAL300012034610	0	48	0.0	-66.93	386.34	9.71	-57.22
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C=C2)=C1	REAL300012034611	0	49	0.0	-62.80	385.14	12.31	-50.49
CC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1N1C=NC=N1	REAL300012034612	0	42	0.0	-71.22	337.06	11.02	-60.20
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034613	0	43	0.0	-66.08	364.03	9.82	-56.26
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C1	REAL300012034614	0	47	0.0	-62.18	385.81	10.92	-51.26
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C1	REAL300012034615	0	44	0.0	-65.38	368.72	11.67	-53.71
CC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C(OC(F)F)C=C1C	REAL300012034616	0	43	0.0	-59.00	344.36	8.40	-50.60
CC1(C(=O)[O-])CC([NH2+]CC2=NC(C3=CC(Cl)=CC=C3Cl)=CS2)C1	REAL300012034617	0	39	0.0	-62.70	358.42	9.74	-52.96
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034618	0	39	0.0	-70.01	329.60	8.39	-61.62
CC1(C(=O)[O-])CC([NH2+]CC2=C(Cl)C=CC=C2S(C)(=O)=O)C1	REAL300012034619	0	39	0.0	-62.60	327.89	5.68	-56.92
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034620	0	42	0.0	-67.86	351.70	7.03	-60.83
CC(C)SC1=CC(Br)=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034621	0	43	0.0	-55.71	362.80	10.48	-45.23
CSC1=CC(Br)=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034622	0	37	0.0	-56.41	325.10	9.10	-47.31
CC1(C(=O)[O-])CC([NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)C1	REAL300012034623	0	43	0.0	-65.19	358.78	9.31	-55.88
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC(F)F)C(Br)=C2)C1	REAL300012034624	0	37	0.0	-66.06	327.80	7.82	-58.24
CC1(C(=O)[O-])CC([NH2+]CC2=CN(CC3=CC=C(C(F)(F)F)C=C3)N=C2)C1	REAL300012034625	0	46	0.0	-65.58	391.10	10.24	-55.34
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034626	0	47	0.0	-57.22	370.35	10.34	-46.88
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034627	0	47	0.0	-57.26	370.32	10.33	-46.93
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034628	0	46	0.0	-60.63	365.52	8.58	-52.05
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OC2=CC=C(F)C=C2Cl)C1	REAL300012034629	0	44	0.0	-55.05	377.23	10.97	-44.08
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Br)C=C2N2CCOCC2)C1	REAL300012034630	0	46	0.0	-61.99	372.13	7.73	-54.26
COC1=CC(Cl)=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300012034631	0	37	0.0	-58.82	326.28	7.85	-50.97
CC1(C(=O)[O-])CC([NH2+]CC2=CN=C(C3=CC=CS3)S2)C1	REAL300012034632	0	36	0.0	-63.79	324.97	7.66	-56.13
CC1(C(=O)[O-])CC([NH2+]CC2=CN=C(C3=CSC=C3)S2)C1	REAL300012034633	0	36	0.0	-63.13	317.44	7.83	-55.30
CC1=CC=C(C2=NC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)S2)O1	REAL300012034634	0	39	0.0	-65.87	337.78	7.49	-58.38
CC1=CC(Br)=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034635	0	36	0.0	-61.87	304.20	8.80	-53.07
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Cl)C(Br)=C2)C1	REAL300012034636	0	33	0.0	-65.31	304.25	8.64	-56.67
CC1(C(=O)[O-])CC([NH2+]CC2=CNN=C2C2=CC=CC=C2F)C1	REAL300012034637	0	40	0.0	-65.14	330.88	7.50	-57.64
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)C1	REAL300012034638	0	42	0.0	-66.63	341.94	9.26	-57.37
CC1(C(=O)[O-])CC([NH2+]CC2=NC=C(Br)C=C2Br)C1	REAL300012034639	0	32	0.0	-55.31	300.85	6.79	-48.52
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Cl)C=C2Br)C1	REAL300012034640	0	33	0.0	-56.78	301.09	8.61	-48.17
COC1=C(Br)C=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034641	0	37	0.0	-58.61	318.07	7.60	-51.01
CN1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C2=CC=CS2)=N1	REAL300012034642	0	40	0.0	-57.34	334.71	8.00	-49.34
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=CC=C2OC2CCCC2)C1	REAL300012034643	0	47	0.0	-56.33	378.02	10.33	-46.00
COC1=CC(Br)=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(OC)=C1	REAL300012034644	0	41	0.0	-53.96	343.84	6.72	-47.24
CC1(C(=O)[O-])CC([NH2+]CC2=C(Cl)C=CC=C2OC2=CC=CC=C2)C1	REAL300012034645	0	44	0.0	-51.64	368.94	10.77	-40.87
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC3=CC=CC(Br)=C3)C=C2)C1	REAL300012034646	0	44	0.0	-66.07	372.11	11.38	-54.69
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=CC=C2OCC2CCCO2)C1	REAL300012034647	0	48	0.0	-56.37	391.88	8.81	-47.56
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034648	0	43	0.0	-66.18	368.59	9.92	-56.26
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034649	0	52	0.0	-61.90	394.13	11.16	-50.74
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)C1	REAL300012034650	0	40	0.0	-65.03	334.72	9.52	-55.51
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=C(F)C=C2)C1	REAL300012034651	0	50	0.0	-70.08	409.84	12.20	-57.88
CC1(C(=O)[O-])CC([NH2+]CC2=CN(CC3=CC=CC=C3Cl)N=C2)C1	REAL300012034652	0	43	0.0	-63.65	364.98	9.71	-53.94
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300012034653	0	45	0.0	-69.30	360.03	6.69	-62.61
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(N3CCOCC3)C=C2)C1	REAL300012034654	0	46	0.0	-62.22	352.13	6.41	-55.81
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034655	0	54	0.0	-59.66	418.18	12.70	-46.96
CC(C)CCOC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034656	0	49	0.0	-61.91	380.04	9.90	-52.01
CCCCCCOC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034657	0	52	0.0	-61.77	405.47	10.94	-50.83
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300012034658	0	44	0.0	-65.64	358.54	10.48	-55.16
CCCOC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(OCCC)=C1	REAL300012034659	0	53	0.0	-56.05	412.39	9.67	-46.38
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(OC)=C1OC	REAL300012034660	0	45	0.0	-61.01	360.02	6.74	-54.27
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OCC1=CC=CC=C1	REAL300012034661	0	51	0.0	-67.47	408.63	10.74	-56.73
COC1=CC=C(Br)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034662	0	37	0.0	-57.16	317.51	7.53	-49.63
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(Br)=C1O	REAL300012034663	0	38	0.0	-60.33	326.53	5.29	-55.04
COC1=CC(OC)=C(OC)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034664	0	45	0.0	-60.14	354.90	6.12	-54.02
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(N(C3=CC=CC=C3)C3=CC=CC=C3)C=C2)C1	REAL300012034665	0	55	0.0	-65.13	433.63	15.11	-50.02
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034666	0	43	0.0	-60.50	361.49	9.55	-50.95
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)C1	REAL300012034667	0	47	0.0	-61.14	379.39	10.85	-50.29
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=C(Br)C=C3)N=C2)C1	REAL300012034668	0	40	0.0	-66.20	348.24	9.41	-56.79
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2I)C1	REAL300012034669	0	33	0.0	-52.80	282.92	8.82	-43.98
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC(F)F)C=C2OC(F)F)C1	REAL300012034670	0	41	0.0	-64.14	345.19	6.77	-57.37
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(N3CCCCC3)C([N+](=O)[O-])=C2)C1	REAL300012034671	0	50	0.0	-76.52	391.13	10.82	-65.70
CN(CCC#N)C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034672	0	45	0.0	-64.61	362.29	9.43	-55.18
CC1(C(=O)[O-])CC([NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)C1	REAL300012034673	0	43	0.0	-58.91	348.23	9.32	-49.59
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OCC(N)=O	REAL300012034674	0	45	0.0	-77.10	365.45	4.73	-72.37
CCNC(=O)COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300012034675	0	51	0.0	-77.25	408.87	7.01	-70.24
COC1=CC2=C(C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1)OC(C)C2	REAL300012034676	0	45	0.0	-57.49	353.22	7.52	-49.97
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(OC)=C1OCC(N)=O	REAL300012034677	0	49	0.0	-78.20	398.61	4.53	-73.67
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(Cl)=C1OCC(N)=O	REAL300012034678	0	45	0.0	-69.00	383.15	5.32	-63.68
CCN(C(C)=O)C1=NC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CS1	REAL300012034679	0	42	0.0	-68.00	346.67	7.40	-60.60
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(I)=C2)C1	REAL300012034680	0	33	0.0	-62.70	294.18	8.62	-54.08
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(I)C=C2)C1	REAL300012034681	0	33	0.0	-63.42	295.90	8.67	-54.75
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=CC(Br)=C2)C1	REAL300012034682	0	33	0.0	-57.80	308.45	8.74	-49.06
CC1(C(=O)[O-])CC([NH2+]CC2=CNN=C2C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012034683	0	43	0.0	-69.98	363.15	8.42	-61.56
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034684	0	46	0.0	-52.27	356.42	11.41	-40.86
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C1	REAL300012034685	0	43	0.0	-63.51	359.06	11.51	-52.00
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C1	REAL300012034686	0	46	0.0	-63.65	372.16	9.16	-54.49
CC1(C(=O)[O-])CC([NH2+]CC2=CN=C(N3CCOCC3)S2)C1	REAL300012034687	0	42	0.0	-63.86	341.76	4.88	-58.98
CC(=O)N(C1=NC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CS1)C1=CC=C(F)C=C1	REAL300012034688	0	46	0.0	-59.75	393.17	9.89	-49.86
CC1=CC=CN2C=C(COC3=CC=C(C[NH2+]C4CC(C)(C(=O)[O-])C4)C=C3)N=C12	REAL300012034689	0	53	0.0	-68.86	426.72	11.98	-56.88
CCOCC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OC	REAL300012034690	0	47	0.0	-62.31	371.71	7.78	-54.53
CC1(C(=O)[O-])CC([NH2+]CC2=CSC(C3=CC=C4OCOC4=C3)=N2)C1	REAL300012034691	0	42	0.0	-65.66	358.97	7.02	-58.64
CC1(C(=O)[O-])CC([NH2+]CC2=CC(C(F)(F)F)=CC=C2Br)C1	REAL300012034692	0	36	0.0	-60.15	322.23	9.14	-51.01
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Br)C=C2C(F)(F)F)C1	REAL300012034693	0	36	0.0	-62.56	317.97	9.24	-53.32
CC1(C(=O)[O-])CC([NH2+]CC2=C(F)C=CC=C2Br)C1	REAL300012034694	0	33	0.0	-53.77	291.46	8.07	-45.70
CC1(C(=O)[O-])CC([NH2+]CC2=CSC=C2Br)C1	REAL300012034695	0	30	0.0	-54.33	276.37	7.07	-47.26
CC1(C(=O)[O-])CC([NH2+]CC2=CC(F)=CC(Br)=C2)C1	REAL300012034696	0	33	0.0	-58.74	293.57	8.20	-50.54
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(F)=C2Br)C1	REAL300012034697	0	33	0.0	-57.13	290.06	8.15	-48.98
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(Br)=C2F)C1	REAL300012034698	0	33	0.0	-59.17	294.24	8.19	-50.98
CC1(C(=O)[O-])CC([NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C1	REAL300012034699	0	40	0.0	-65.82	331.99	5.86	-59.96
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(Br)=C1	REAL300012034700	0	37	0.0	-55.87	313.83	7.40	-48.47
CC1=C(Br)C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300012034701	0	36	0.0	-63.93	325.70	9.27	-54.66
CC1=CC(Br)=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)S1	REAL300012034702	0	33	0.0	-54.09	292.84	8.31	-45.78
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034703	0	48	0.0	-66.72	376.10	10.24	-56.48
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034704	0	43	0.0	-50.85	357.20	10.26	-40.59
CN1C(=O)CCC2=CC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300012034705	0	44	0.0	-64.10	342.58	8.44	-55.66
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034706	0	48	0.0	-56.67	393.68	10.87	-45.80
CC1(C(=O)[O-])CC([NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C1	REAL300012034707	0	39	0.0	-64.03	349.82	9.10	-54.93
CC1(C(=O)[O-])CC([NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)C1	REAL300012034708	0	39	0.0	-65.38	337.61	8.82	-56.56
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034709	0	50	0.0	-56.54	393.67	11.06	-45.48
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300012034710	0	44	0.0	-56.61	366.47	9.93	-46.68
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(OC)=C1OCC(F)F	REAL300012034711	0	48	0.0	-73.10	394.89	7.94	-65.16
CC1(C(=O)[O-])CC([NH2+]CC2=CC=NC3=C(Br)C=CC=C23)C1	REAL300012034712	0	38	0.0	-70.88	324.97	8.54	-62.34
CC1(C(=O)[O-])CC([NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)C1	REAL300012034713	0	39	0.0	-65.21	341.26	8.81	-56.40
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Br)C(Cl)=C2)C1	REAL300012034714	0	33	0.0	-65.52	304.25	8.64	-56.88
CC1(C(=O)[O-])CC([NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)C1	REAL300012034715	0	45	0.0	-63.15	377.66	10.07	-53.08
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC(F)(F)F)C(Br)=C2)C1	REAL300012034716	0	37	0.0	-66.65	334.53	8.03	-58.62
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C1	REAL300012034717	0	44	0.0	-66.71	357.23	10.82	-55.89
CN1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C2=CC=C(F)C=C2)=N1	REAL300012034718	0	43	0.0	-68.17	353.82	8.79	-59.38
CNC(=O)C(C)OC1=CC=C(Br)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034719	0	47	0.0	-60.70	387.13	7.96	-52.74
CN1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C2=CC=C(C#N)C=C2)=N1	REAL300012034720	0	44	0.0	-72.52	368.25	9.12	-63.40
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=N1	REAL300012034721	0	47	0.0	-61.24	374.23	9.95	-51.29
CC1=CC=CC=C1N1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)N=N1	REAL300012034722	0	42	0.0	-61.79	340.43	8.25	-53.54
CN1N=C(Br)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034723	0	33	0.0	-69.13	288.73	5.60	-63.53
CN1C=C(C2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)S2)C=N1	REAL300012034724	0	40	0.0	-64.51	342.02	8.25	-56.26
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C3OCCCCOC3=C2)C1	REAL300012034725	0	45	0.0	-64.87	347.20	8.46	-56.41
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(F)C(Cl)=C2Cl)C1	REAL300012034726	0	33	0.0	-65.85	294.19	8.84	-57.01
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034727	0	44	0.0	-64.62	353.66	7.95	-56.67
CC1(C(=O)[O-])CC([NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300012034728	0	37	0.0	-55.20	318.10	7.44	-47.76
CC1(C(=O)[O-])CC([NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)C1	REAL300012034729	0	40	0.0	-67.26	330.69	8.52	-58.74
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC=C3Br)C=C2)C1	REAL300012034730	0	43	0.0	-62.89	364.75	11.62	-51.27
CC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C2=CN(C)N=C2)=C1	REAL300012034731	0	46	0.0	-60.25	366.26	9.39	-50.86
CC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C2=CC=NN2C)=C1	REAL300012034732	0	46	0.0	-56.64	364.28	9.12	-47.52
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)C1	REAL300012034733	0	43	0.0	-67.57	365.66	9.79	-57.78
CC1=CC(Br)=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300012034734	0	36	0.0	-58.45	318.94	9.23	-49.22
CC1(C(=O)[O-])CC([NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)C1	REAL300012034735	0	43	0.0	-59.50	360.51	9.85	-49.65
CC1(C(=O)[O-])CC([NH2+]CC2=CN(CCC#N)N=C2C2=CC=NC=C2)C1	REAL300012034736	0	46	0.0	-75.79	384.74	8.33	-67.46
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)C1	REAL300012034737	0	39	0.0	-55.20	329.15	11.17	-44.03
COCCOCC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034738	0	47	0.0	-63.75	378.66	7.53	-56.22
CC1=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)SC2=C(Cl)C=CC=C12	REAL300012034739	0	39	0.0	-63.92	338.72	10.08	-53.84
CC1(C(=O)[O-])CC([NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)C1	REAL300012034740	0	47	0.0	-65.38	391.55	9.98	-55.40
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(F)C=C2I)C1	REAL300012034741	0	33	0.0	-55.95	296.08	8.61	-47.34
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)O1	REAL300012034742	0	43	0.0	-58.40	352.09	7.99	-50.41
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=CN=C2Cl)C1	REAL300012034743	0	32	0.0	-63.88	296.32	6.78	-57.10
CC1(C(=O)[O-])CC([NH2+]CC2=CC(OC(F)F)=CC=C2Br)C1	REAL300012034744	0	37	0.0	-61.81	322.72	7.71	-54.10
CC1=CC=C(C2=NC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)S2)C=C1C	REAL300012034745	0	45	0.0	-63.55	371.47	9.79	-53.76
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034746	0	43	0.0	-68.68	350.94	9.52	-59.16
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034747	0	43	0.0	-65.93	362.29	10.20	-55.73
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034748	0	43	0.0	-66.32	358.66	10.06	-56.26
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034749	0	46	0.0	-65.31	368.71	9.98	-55.33
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034750	0	43	0.0	-64.72	367.84	9.99	-54.73
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3F)=C2)C1	REAL300012034751	0	47	0.0	-62.84	389.52	11.09	-51.75
CC(C)(C)SC1=C(Br)C=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034752	0	46	0.0	-55.83	370.30	10.69	-45.14
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034753	0	46	0.0	-65.40	368.01	10.03	-55.37
CC1(C(=O)[O-])CC([NH2+]CC2=CC3=CC(Br)=CC=C3O2)C1	REAL300012034754	0	36	0.0	-63.12	315.56	8.67	-54.45
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(F)=C2OC(F)F)C1	REAL300012034755	0	37	0.0	-60.14	312.29	7.28	-52.86
CC1(C(=O)[O-])CC([NH2+]CC2=CC(F)=CC=C2OC(F)F)C1	REAL300012034756	0	37	0.0	-62.44	312.36	7.27	-55.17
CN1C=C(C2=NN(C)C=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)C=N1	REAL300012034757	0	43	0.0	-61.83	351.35	6.55	-55.28
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C=C2C1	REAL300012034758	0	57	0.0	-60.96	431.77	10.69	-50.27
CC1(C(=O)[O-])CC([NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)C1	REAL300012034759	0	39	0.0	-64.08	349.83	9.10	-54.98
CC1(C(=O)[O-])CC([NH2+]CC2=CNN=C2C2=CC=C(Br)S2)C1	REAL300012034760	0	37	0.0	-57.92	333.43	7.41	-50.51
CC(C)OC1=CC(Cl)=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300012034761	0	43	0.0	-58.50	366.05	9.40	-49.10
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC3CCOC3)C=C2)C1	REAL300012034762	0	45	0.0	-65.68	345.89	7.48	-58.20
COC(=O)C1=C2CCCCN2C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034763	0	47	0.0	-69.99	368.15	9.26	-60.73
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(C(F)(F)F)=C1	REAL300012034764	0	40	0.0	-58.77	334.09	7.81	-50.96
C=CCOC1=C(Cl)C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300012034765	0	45	0.0	-61.03	379.33	8.88	-52.15
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC1CC1	REAL300012034766	0	45	0.0	-66.91	357.91	8.44	-58.47
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=CC=C2I)C1	REAL300012034767	0	33	0.0	-53.90	306.42	9.05	-44.85
COCC(C)OC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034768	0	47	0.0	-64.87	369.71	7.78	-57.09
CN1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300012034769	0	50	0.0	-62.29	410.46	8.51	-53.78
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OCC2=CC=C(F)C=C2F)C1	REAL300012034770	0	47	0.0	-60.99	388.12	11.14	-49.85
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C1	REAL300012034771	0	40	0.0	-63.43	335.49	10.19	-53.24
CC1(C(=O)[O-])CC([NH2+]CC2=CC=NN2CCC2=CC=CC=C2)C1	REAL300012034772	0	46	0.0	-66.02	365.50	9.84	-56.18
CC1(C(=O)[O-])CC([NH2+]CC2=CC(C(F)(F)F)=C(Br)C=C2F)C1	REAL300012034773	0	36	0.0	-66.01	328.06	9.09	-56.92
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)C1	REAL300012034774	0	40	0.0	-61.84	345.24	8.43	-53.41
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C2)C1	REAL300012034775	0	42	0.0	-66.25	360.60	9.96	-56.29
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1C(C)(C)C	REAL300012034776	0	49	0.0	-61.22	368.79	9.55	-51.67
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034777	0	41	0.0	-55.24	340.88	6.77	-48.47
CC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=NC=C1Br	REAL300012034778	0	35	0.0	-63.82	302.88	6.91	-56.91
CC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C(Br)C=C1F	REAL300012034779	0	36	0.0	-62.39	310.18	8.84	-53.55
CC1(C(=O)[O-])CC([NH2+]CC2=C(O)C=CC=C2Br)C1	REAL300012034780	0	34	0.0	-53.94	295.88	5.27	-48.67
CN1C=C(C2=NC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=CS2)C=N1	REAL300012034781	0	39	0.0	-65.90	337.58	6.15	-59.75
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)C1	REAL300012034782	0	39	0.0	-64.55	325.71	7.42	-57.13
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2CC(F)(F)F)C1	REAL300012034783	0	39	0.0	-58.36	317.26	9.13	-49.23
CN1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(Br)=N1	REAL300012034784	0	33	0.0	-65.24	291.53	5.85	-59.39
CC1(C(=O)[O-])CC([NH2+]CC2=NC=C(Br)C=C2F)C1	REAL300012034785	0	32	0.0	-57.34	288.05	6.33	-51.01
COC1=CC(Cl)=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300012034786	0	41	0.0	-63.24	338.61	7.24	-56.00
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C1	REAL300012034787	0	39	0.0	-62.54	329.10	9.36	-53.18
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034788	0	53	0.0	-64.84	416.02	8.02	-56.82
CCOC(=O)C1=C(C)C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C(C)N1	REAL300012034789	0	46	0.0	-63.00	368.45	7.96	-55.04
CC1(C(=O)[O-])CC([NH2+]CC2=C(F)C=CC(C(F)(F)F)=C2Br)C1	REAL300012034790	0	36	0.0	-55.99	325.71	8.96	-47.03
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C1	REAL300012034791	0	43	0.0	-65.94	361.16	11.54	-54.40
CC1=CC(Br)=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300012034792	0	36	0.0	-58.30	322.98	9.32	-48.98
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Br)C(F)=C2F)C1	REAL300012034793	0	33	0.0	-68.89	292.72	8.58	-60.31
CC1(C(=O)[O-])CC([NH2+]CC2=C(Br)SC=C2)C1	REAL300012034794	0	30	0.0	-58.88	276.01	7.22	-51.66
CCOC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C(F)C=C1OC	REAL300012034795	0	44	0.0	-64.76	353.13	7.72	-57.04
COC1=NC=C(Br)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034796	0	36	0.0	-59.05	308.33	5.25	-53.80
CC1(C(=O)[O-])CC([NH2+]CC2=CNN=C2CN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300012034797	0	47	0.0	-62.53	387.42	7.20	-55.33
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C(F)C=C1Br	REAL300012034798	0	37	0.0	-65.99	322.47	7.56	-58.43
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(Br)=C2Cl)C1	REAL300012034799	0	33	0.0	-57.23	300.16	8.56	-48.67
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)C1	REAL300012034800	0	37	0.0	-66.53	318.95	7.55	-58.98
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)C1	REAL300012034801	0	47	0.0	-70.43	364.12	8.58	-61.85
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC(F)F)C=C2F)C1	REAL300012034802	0	37	0.0	-60.89	312.89	7.15	-53.74
CC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C)=C1Br	REAL300012034803	0	39	0.0	-60.59	312.37	9.58	-51.01
CC1=CC=NC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1Br	REAL300012034804	0	35	0.0	-53.91	298.03	6.77	-47.14
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034805	0	50	0.0	-63.99	390.20	7.81	-56.18
CN1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C2=CC(F)=CC=C2F)=N1	REAL300012034806	0	43	0.0	-62.59	360.38	8.87	-53.72
CC1(C(=O)[O-])CC([NH2+]CC2=CC(F)=CC=C2OC2=CN=CC(Cl)=C2)C1	REAL300012034809	0	43	0.0	-61.28	373.47	9.23	-52.05
CCN1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300012034810	0	46	0.0	-60.69	368.84	9.59	-51.10
COCC1=C(C)C=C(C)C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1C	REAL300012034811	0	49	0.0	-59.26	368.98	8.77	-50.49
CC1=CC(OC2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C(Cl)=C2)=CC=C1F	REAL300012034812	0	47	0.0	-60.21	397.88	11.62	-48.59
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(Cl)=C1	REAL300012034813	0	50	0.0	-63.98	412.00	12.42	-51.56
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OC2=CC=C(F)C(Cl)=C2)C1	REAL300012034814	0	44	0.0	-58.03	378.07	10.98	-47.05
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034815	0	47	0.0	-57.70	397.72	11.66	-46.04
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1F	REAL300012034816	0	47	0.0	-60.76	399.83	11.69	-49.07
CC1(C(=O)[O-])CC([NH2+]CC2=CC(F)=CC=C2OC2=CC=C(Cl)C(Cl)=C2)C1	REAL300012034817	0	44	0.0	-61.61	395.43	11.54	-50.07
CC1(C(=O)[O-])CC([NH2+]CC2=CC(F)=CC=C2OC2=CC=C(Cl)C(F)=C2)C1	REAL300012034818	0	44	0.0	-62.45	386.13	11.14	-51.31
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034819	0	47	0.0	-54.57	391.47	11.59	-42.98
CC1(C(=O)[O-])CC([NH2+]CC2=CC(F)=CC=C2OC2=CC=CC(Cl)=C2)C1	REAL300012034820	0	44	0.0	-57.45	378.54	11.01	-46.44
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034821	0	50	0.0	-54.69	413.32	12.41	-42.28
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Cl)C=C2OC2=CC=C(Cl)C(F)=C2)C1	REAL300012034822	0	44	0.0	-62.87	395.72	11.56	-51.31
CC1=C(Br)C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)S1	REAL300012034823	0	33	0.0	-60.45	300.66	8.06	-52.39
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C1	REAL300012034824	0	43	0.0	-63.92	359.07	11.50	-52.42
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(F)=C2I)C1	REAL300012034825	0	33	0.0	-55.62	295.22	8.58	-47.04
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1COC1=CC=CC=C1	REAL300012034826	0	51	0.0	-64.02	406.06	10.30	-53.72
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1CN1C=CC=N1	REAL300012034827	0	47	0.0	-63.79	380.34	8.56	-55.23
CC1=CC=C(Br)C(F)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034828	0	36	0.0	-63.19	311.04	8.72	-54.47
CCC1=CC(OC2=CC=C(F)C=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1Cl	REAL300012034829	0	50	0.0	-59.77	419.02	12.37	-47.40
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OC2=CC=C(Cl)C(Cl)=C2)C1	REAL300012034830	0	44	0.0	-57.19	387.39	11.38	-45.81
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C)=C1	REAL300012034831	0	50	0.0	-58.00	413.72	12.29	-45.71
COC1=CC=C(CN2C=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)N=N2)C=C1	REAL300012034832	0	46	0.0	-73.33	375.74	7.20	-66.13
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)C1	REAL300012034833	0	43	0.0	-62.32	354.76	7.95	-54.37
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)C1	REAL300012034834	0	47	0.0	-62.43	379.39	10.85	-51.58
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=C(Br)S2)C1	REAL300012034835	0	30	0.0	-64.32	300.14	7.97	-56.35
CC1(C(=O)[O-])CC([NH2+]CC2=CC(F)=CC=C2OC2=CC=C(F)C(Cl)=C2)C1	REAL300012034836	0	44	0.0	-62.48	386.12	11.14	-51.34
CC1(C(=O)[O-])CC([NH2+]CC2=CC(F)=CC=C2OC2=CC(F)=CC(F)=C2)C1	REAL300012034837	0	44	0.0	-62.45	368.47	11.04	-51.41
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=CC=C2OC2=CC=C(Cl)C=C2)C1	REAL300012034838	0	44	0.0	-57.24	388.14	11.38	-45.86
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034839	0	51	0.0	-53.19	405.46	10.90	-42.29
CC1(C(=O)[O-])CC([NH2+]CC2=CC(F)=CC=C2OC2=CC=C(Cl)C=C2)C1	REAL300012034840	0	44	0.0	-58.01	377.84	10.94	-47.07
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OC2=CC(Cl)=CC(Cl)=C2)C1	REAL300012034841	0	44	0.0	-55.01	387.86	11.38	-43.63
CC1(C(=O)[O-])CC([NH2+]CC2=CC(F)=CC=C2OC2=CC=C(F)C=C2Cl)C1	REAL300012034842	0	44	0.0	-58.34	385.80	11.17	-47.17
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034843	0	48	0.0	-57.67	401.26	11.44	-46.23
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Cl)C=C2OC2=CC=C(F)C(Cl)=C2)C1	REAL300012034844	0	44	0.0	-62.85	395.70	11.55	-51.30
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034845	0	49	0.0	-63.01	383.43	10.57	-52.44
CC1(C(=O)[O-])CC([NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300012034846	0	39	0.0	-63.10	349.64	8.87	-54.23
COC1=CC=C(C2=NC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=CS2)C=C1	REAL300012034847	0	43	0.0	-63.11	362.36	7.67	-55.44
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C1	REAL300012034849	0	41	0.0	-74.80	345.43	4.18	-70.62
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034850	1	53	0.0	-59.08	389.89	9.66	-49.42
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OCCN3C=CN=C3)C(Cl)=C2)C1	REAL300012034851	0	47	0.0	-69.09	397.40	10.96	-58.13
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)S1	REAL300012034852	0	44	0.0	-61.11	364.40	8.03	-53.08
CC1(C(=O)[O-])CC([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C1	REAL300012034853	0	38	0.0	-52.61	321.87	8.49	-44.12
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(OCC2=CC=CN=C2)=C1	REAL300012034854	0	50	0.0	-58.63	402.27	8.41	-50.22
CC1(C(=O)[O-])CC([NH2+]CC2=NC3=CC=C(Br)C=C3S2)C1	REAL300012034855	0	35	0.0	-63.06	319.35	7.58	-55.48
CN(C)C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300012034856	0	44	0.0	-59.17	348.14	9.01	-50.16
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034857	0	43	0.0	-55.69	348.11	10.14	-45.55
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034858	0	42	0.0	-65.61	358.35	9.16	-56.45
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C1	REAL300012034859	0	52	0.0	-56.82	401.70	10.87	-45.95
CC1(C(=O)[O-])CC([NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300012034860	0	36	0.0	-68.92	321.18	9.22	-59.70
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=CC=C3Br)N=N2)C1	REAL300012034861	0	39	0.0	-64.82	335.42	8.01	-56.81
CC1(C(=O)[O-])CC([NH2+]CC2=CN3C=CC(Br)=CC3=N2)C1	REAL300012034862	0	36	0.0	-66.83	316.36	8.68	-58.15
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034863	0	44	0.0	-58.15	352.50	8.92	-49.23
CC1(C(=O)[O-])CC([NH2+]CC2=CC(I)=CC([N+](=O)[O-])=C2)C1	REAL300012034864	0	35	0.0	-65.48	321.86	9.28	-56.20
COCC1=CC=CC=C1C=C(C)C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034865	0	47	0.0	-57.77	364.97	9.14	-48.63
CC1(C(=O)[O-])CC([NH2+]CC2=CON=C2CC2=CC=CC=C2)C1	REAL300012034866	0	42	0.0	-69.42	343.55	9.29	-60.13
COC1=CC=C(N2C=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C=N2)C=C1	REAL300012034867	0	44	0.0	-66.58	356.44	8.08	-58.50
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034868	0	48	0.0	-60.05	388.37	10.93	-49.12
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(N3CCCCC3)C(Br)=C2)C1	REAL300012034869	0	48	0.0	-64.52	385.66	10.03	-54.49
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(S(C)(=O)=O)S2)C1	REAL300012034870	0	36	0.0	-72.53	321.17	4.25	-68.28
CC1(C(=O)[O-])CC([NH2+]CC2=C(C3=CC=CC=C3)N(C3CCCC3)N=C2)C1	REAL300012034871	0	53	0.0	-59.00	411.49	11.52	-47.48
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2F)C1	REAL300012034872	0	38	0.0	-68.20	327.87	2.54	-65.66
CC1=C(Br)C=NC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034873	0	35	0.0	-64.95	297.27	6.85	-58.10
COC1=CC=C(C2=CC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=CC3=C2OCO3)C=N1	REAL300012034874	0	49	0.0	-71.83	402.04	6.60	-65.23
CC1(C(=O)[O-])CC([NH2+]CC2=C(OC3=CC=C(F)C=C3)N=C3C=CC=CN32)C1	REAL300012034875	0	47	0.0	-68.93	387.09	10.69	-58.24
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)C1	REAL300012034876	0	53	0.0	-63.29	408.15	6.44	-56.85
CC(C)(C)OC(=O)NC(C[NH2+]C1CC(C)(C(=O)[O-])C1)CC(F)F	REAL300012034877	0	49	0.0	-70.74	376.63	6.37	-64.37
CN1C=CC(C2=NC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=CS2)=N1	REAL300012034878	0	39	0.0	-68.39	337.69	6.03	-62.36
CC1=CC=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1Br	REAL300012034879	0	36	0.0	-53.49	302.56	8.67	-44.82
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C1	REAL300012034880	0	44	0.0	-64.18	363.25	10.49	-53.69
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2N2CCCCC2)C1	REAL300012034881	0	48	0.0	-53.72	362.03	9.60	-44.12
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=CC=C2Br)C1	REAL300012034882	0	33	0.0	-55.53	305.64	8.73	-46.80
CC1=C(Cl)C=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1Cl	REAL300012034883	0	36	0.0	-57.29	313.57	9.02	-48.27
CC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C(C)C=C1I	REAL300012034884	0	39	0.0	-61.53	328.25	9.80	-51.73
CC1(C(=O)[O-])CC([NH2+]CC2=CC(C#N)=CC=C2Br)C1	REAL300012034885	0	34	0.0	-64.36	304.29	8.53	-55.83
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034886	0	46	0.0	-54.54	370.49	9.11	-45.43
COC(=O)COC1=CC=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034887	0	43	0.0	-55.97	352.57	8.51	-47.46
COC1=CC=C2SC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=CC2=C1	REAL300012034888	0	40	0.0	-63.80	335.00	8.38	-55.42
CCN(CC)C(=O)C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034889	0	49	0.0	-69.91	379.13	9.31	-60.60
CCN(C)C(=O)C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034890	0	46	0.0	-70.22	360.98	8.43	-61.79
CC1=NN(C2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C(C)=C2)C=C1	REAL300012034891	0	46	0.0	-66.49	363.17	9.95	-56.54
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300012034892	0	39	0.0	-66.05	339.32	9.45	-56.60
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034893	0	43	0.0	-65.60	358.37	9.87	-55.73
CCC1=CC(Br)=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)S1	REAL300012034894	0	36	0.0	-54.02	321.10	8.78	-45.24
CC1=NN(C2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C=C2)C=C1Cl	REAL300012034895	0	43	0.0	-67.22	365.03	9.85	-57.37
COC(=O)C1=CC2=C(C=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)O2)N1	REAL300012034896	0	40	0.0	-71.86	336.66	6.35	-65.51
CC(C)(C[NH2+]C1CC(C)(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300012034897	0	42	0.0	-61.91	337.48	9.88	-52.03
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=CC(Br)=C2)C1	REAL300012034898	0	33	0.0	-57.87	303.89	8.63	-49.24
CC1=CC=C(C2=CC=CC=C2C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C)=C1	REAL300012034899	0	49	0.0	-51.81	382.54	12.25	-39.56
CC(C)(C)OC(=O)N1CCN(C2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)O2)CC1	REAL300012034900	0	59	0.0	-63.20	448.15	7.51	-55.69
COC1=CC=CC(C2=CSC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=N2)=C1	REAL300012034901	0	43	0.0	-64.24	358.97	7.60	-56.64
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034902	0	53	0.0	-65.79	416.02	8.03	-57.76
COC(=O)C1=C2COCCN2C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034903	0	45	0.0	-71.39	359.80	6.88	-64.51
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)C1	REAL300012034904	0	50	0.0	-72.58	383.66	9.52	-63.06
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C(F)(F)F)C(Cl)=C2Cl)C1	REAL300012034905	0	36	0.0	-67.68	323.50	9.70	-57.98
CC1(C(=O)[O-])CC([NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)C1	REAL300012034906	0	37	0.0	-57.53	324.32	6.47	-51.06
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2Br)C1	REAL300012034907	0	38	0.0	-65.63	338.60	3.06	-62.57
CC1(C(=O)[O-])CC([NH2+]CC2=C(Cl)C=CC=C2Br)C1	REAL300012034908	0	33	0.0	-52.07	300.20	8.46	-43.61
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(F)C(Br)=C2F)C1	REAL300012034909	0	33	0.0	-68.66	292.13	8.56	-60.10
CC1(C(=O)[O-])CC([NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)C1	REAL300012034910	0	42	0.0	-63.59	344.55	7.87	-55.72
CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CC(C)(C(=O)[O-])C2)CC1	REAL300012034911	0	53	0.0	-66.13	390.11	8.55	-57.58
CC1=CC(Br)=CN=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034912	0	35	0.0	-62.27	300.62	6.90	-55.37
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)C1	REAL300012034913	0	39	0.0	-67.48	342.01	5.49	-61.99
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C3CCN(C(=O)OCC4=CC=CC=C4)C3=C2)C1	REAL300012034914	0	55	0.0	-67.13	441.79	12.35	-54.78
CC1=NC(Cl)=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300012034915	0	35	0.0	-63.59	314.72	7.31	-56.28
CN1N=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1S(C)(=O)=O	REAL300012034916	0	39	0.0	-64.53	320.50	2.91	-61.62
CCOC1=CC(Br)=CC(F)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034917	0	40	0.0	-55.89	344.75	8.50	-47.39
CC1(C(=O)[O-])CC([NH2+]CC2=C(S(C)(=O)=O)SC=C2)C1	REAL300012034918	0	36	0.0	-61.35	311.46	4.54	-56.81
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C=C2)O1	REAL300012034919	0	50	0.0	-68.19	417.01	9.77	-58.42
CC1=C(Br)C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C(C)S1	REAL300012034920	0	36	0.0	-57.89	315.92	8.48	-49.41
CN1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C2=CC=CC(F)=C2)=N1	REAL300012034921	0	43	0.0	-65.94	353.75	8.79	-57.15
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300012034922	0	37	0.0	-60.22	319.62	7.37	-52.85
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300012034923	0	39	0.0	-65.51	337.60	9.41	-56.10
CC1=NC=CN1C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C)=C1	REAL300012034924	0	46	0.0	-68.28	362.64	10.64	-57.64
CC1=C(C)N(C2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C=C2)C=N1	REAL300012034925	0	46	0.0	-70.21	365.85	11.18	-59.03
CC1(C(=O)[O-])CC([NH2+]CC2=CC3=C(Br)C=CC=C3S2)C1	REAL300012034926	0	36	0.0	-61.08	325.90	9.67	-51.41
CN1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C2=CC=CC=C2Br)=N1	REAL300012034927	0	43	0.0	-62.54	366.15	9.37	-53.17
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)C1	REAL300012034928	0	43	0.0	-58.94	340.83	9.60	-49.34
CC1(C(=O)[O-])CC([NH2+]CC2=CNN=C2C2=CC=CC(Br)=C2)C1	REAL300012034929	0	40	0.0	-64.76	345.32	8.04	-56.72
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034930	0	46	0.0	-68.12	382.60	10.36	-57.76
CC1(C(=O)[O-])CC([NH2+]CC2=CNN=C2C2=CC=C(Br)C=C2)C1	REAL300012034931	0	40	0.0	-67.80	345.56	8.04	-59.76
CC1(C(=O)[O-])CC([NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C1	REAL300012034932	0	40	0.0	-65.94	330.43	7.49	-58.45
CC1(C(=O)[O-])CC([NH2+]CC2=C(Br)C=CC=C2Br)C1	REAL300012034933	0	33	0.0	-46.85	302.04	8.50	-38.35
CC1(C(=O)[O-])CC([NH2+]CC2=C(Br)C=CC=C2OC(F)F)C1	REAL300012034934	0	37	0.0	-56.57	324.13	7.69	-48.88
CC1(C(=O)[O-])CC([NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)C1	REAL300012034935	0	40	0.0	-61.24	341.94	9.04	-52.20
CC1(C(=O)[O-])CC([NH2+]CC2=C(F)C=C(Br)C=C2F)C1	REAL300012034936	0	33	0.0	-57.46	300.04	8.24	-49.22
COC1=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=CC=C1C(C)(C)C	REAL300012034937	0	49	0.0	-55.71	361.43	9.28	-46.43
CN1C=C(Br)N=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034938	0	33	0.0	-68.29	287.75	6.38	-61.91
CC(C)(OCC1=CC=CC=C1)C1=CC=C(F)C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034939	0	56	0.0	-58.66	438.30	12.38	-46.28
CC1(C(=O)[O-])CC([NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C1	REAL300012034940	0	39	0.0	-71.41	324.83	6.68	-64.73
CN1C(=O)C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300012034941	0	42	0.0	-67.61	335.41	8.36	-59.25
CC1=CC(C)=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C)=C1Br	REAL300012034942	0	42	0.0	-59.20	337.57	9.71	-49.49
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034943	0	43	0.0	-67.01	364.31	8.34	-58.67
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034944	0	50	0.0	-65.91	388.21	7.77	-58.14
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300012034945	0	39	0.0	-60.07	328.79	8.29	-51.78
COC1=CC=C(Br)C(F)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034946	0	37	0.0	-57.88	322.20	7.56	-50.32
CC1(C(=O)[O-])CC([NH2+]CC2=C(F)C=C(C(F)(F)F)C=C2Br)C1	REAL300012034947	0	36	0.0	-56.51	328.51	9.03	-47.48
CC1(C(=O)[O-])CC([NH2+]CC2=C(F)C=C(C#N)C=C2Br)C1	REAL300012034948	0	34	0.0	-60.54	310.57	8.42	-52.12
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C1	REAL300012034949	0	40	0.0	-62.21	333.69	10.00	-52.21
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C1	REAL300012034950	0	39	0.0	-63.02	325.75	10.20	-52.82
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Cl)C(Br)=C2F)C1	REAL300012034951	0	33	0.0	-67.44	301.25	8.97	-58.47
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OC2CCCCC2)C1	REAL300012034952	0	50	0.0	-53.88	377.59	10.40	-43.48
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300012034953	0	44	0.0	-66.02	367.54	11.27	-54.75
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2COC2CCCCC2)C1	REAL300012034954	0	53	0.0	-59.09	389.90	11.17	-47.92
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OCC2=CC=C(Cl)C=C2)C1	REAL300012034955	0	47	0.0	-60.28	388.77	11.67	-48.61
COC1=CC=CC(OC2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C=C2)=C1	REAL300012034956	0	48	0.0	-69.40	380.29	10.05	-59.35
CCN1CCCC2=CC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300012034957	0	48	0.0	-59.93	357.06	8.59	-51.34
CN1N=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1Br	REAL300012034958	0	33	0.0	-58.74	284.04	6.08	-52.66
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012034959	0	48	0.0	-65.15	387.42	10.35	-54.80
COC1=C(Br)C=CC(F)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034960	0	37	0.0	-57.05	323.63	7.63	-49.42
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)C1	REAL300012034961	0	46	0.0	-64.73	377.20	12.27	-52.46
CC1(C(=O)[O-])CC([NH2+]CC2=C(Br)C=CC=C2OC(F)(F)F)C1	REAL300012034962	0	37	0.0	-53.56	330.87	7.92	-45.64
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C1	REAL300012034963	0	37	0.0	-64.26	324.52	9.03	-55.23
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OCC3=CC=C(Cl)C=C3)=C2)C1	REAL300012034964	0	47	0.0	-61.49	396.13	11.37	-50.12
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)C1	REAL300012034965	0	46	0.0	-58.52	359.06	8.19	-50.33
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Br)C=C2OC(F)F)C1	REAL300012034966	0	37	0.0	-63.14	327.26	7.82	-55.32
CC1=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)SC2=CC(F)=CC=C12	REAL300012034967	0	39	0.0	-64.09	328.62	9.69	-54.40
COC1=CC(OC)=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C2=NC(Cl)=CC=C12	REAL300012034968	0	46	0.0	-51.25	381.25	7.27	-43.98
CC1=CC=C(F)C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1Br	REAL300012034969	0	36	0.0	-52.95	309.72	8.65	-44.30
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OCCC2CCCCC2)C1	REAL300012034970	0	56	0.0	-56.48	414.31	12.09	-44.39
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(OCC3CCC3)=C2)C1	REAL300012034971	0	47	0.0	-59.89	367.72	9.92	-49.97
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OCCO	REAL300012034972	0	45	0.0	-69.08	360.10	4.61	-64.47
COC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1OCCO	REAL300012034973	0	45	0.0	-68.66	360.10	4.61	-64.05
CN1C=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C2=CC=NN2C)=N1	REAL300012034974	0	43	0.0	-62.87	353.66	6.46	-56.41
COC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1OCC1CCCO1	REAL300012034975	0	52	0.0	-69.32	405.80	8.20	-61.12
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C1	REAL300012034976	0	36	0.0	-64.05	301.80	8.66	-55.39
CC1(C(=O)[O-])CC([NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)C1	REAL300012034977	0	40	0.0	-56.81	343.02	8.34	-48.47
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CN=C(C(F)F)S3)C=C2)C1	REAL300012034978	0	42	0.0	-66.34	365.45	9.31	-57.03
CC1(C(=O)[O-])CC([NH2+]CC2=C(Br)C=CC3=C2OCO3)C1	REAL300012034979	0	36	0.0	-55.22	312.18	6.70	-48.52
CC1(C(=O)[O-])CC([NH2+]CC2=C(S(C)(=O)=O)C=CS2)C1	REAL300012034980	0	36	0.0	-63.59	309.87	4.22	-59.37
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C1	REAL300012034981	0	36	0.0	-61.79	312.37	8.58	-53.21
CC1(C(=O)[O-])CC([NH2+]CC2=CC(S(C)(=O)=O)=CS2)C1	REAL300012034982	0	36	0.0	-68.71	320.30	4.16	-64.55
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)C1	REAL300012034983	0	40	0.0	-65.88	343.68	9.30	-56.58
CC1(C(=O)[O-])CC([NH2+]CC2=C(Br)C=C(C(F)(F)F)S2)C1	REAL300012034984	0	33	0.0	-59.42	311.59	8.70	-50.72
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Br)C=C2OC2CC2)C1	REAL300012034985	0	41	0.0	-57.12	348.55	9.20	-47.92
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034986	0	43	0.0	-64.10	347.48	8.24	-55.86
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)C1	REAL300012034987	0	36	0.0	-63.19	309.55	9.01	-54.18
CC1(C(=O)[O-])CC([NH2+]CC2=C(F)C=CC(Br)=C2Cl)C1	REAL300012034988	0	33	0.0	-56.83	306.89	8.56	-48.27
CC1(C(=O)[O-])CC([NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C1	REAL300012034989	0	40	0.0	-66.35	333.36	8.85	-57.50
COC1=NC(C)=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(C)=C1Cl	REAL300012034990	0	42	0.0	-65.84	342.40	5.79	-60.05
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034991	0	42	0.0	-66.01	341.30	7.86	-58.15
CC1=NN(C2CCCCC2)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034992	0	49	0.0	-61.44	372.38	9.19	-52.25
CC1=NN(C2CCOCC2)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012034993	0	47	0.0	-62.47	363.17	6.80	-55.67
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=CC3=CC=CN=C32)C1	REAL300012034994	0	38	0.0	-55.74	329.10	8.70	-47.04
CC1(C(=O)[O-])CC([NH2+]CC2=CC(S(N)(=O)=O)=CS2)C1	REAL300012034995	0	35	0.0	-68.76	313.83	1.57	-67.19
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300012034996	0	48	0.0	-70.70	374.26	7.08	-63.62
CC1=CC(Br)=C(F)C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012034997	0	36	0.0	-64.37	314.59	8.87	-55.50
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Br)C(Cl)=C2F)C1	REAL300012034998	0	33	0.0	-67.43	301.40	8.98	-58.45
COC1=CC=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1Br	REAL300012034999	0	37	0.0	-55.30	312.96	7.46	-47.84
COC1=CC(F)=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300012035000	0	37	0.0	-60.51	323.54	7.54	-52.97
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)C1	REAL300012035001	0	43	0.0	-79.51	354.69	9.98	-69.53
CC1=CC=C(Br)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012035002	0	36	0.0	-61.39	304.20	8.80	-52.59
COC1=NC2=CC=C(C[NH2+]C3CC(C)(C(=O)[O-])C3)C=C2S1	REAL300012035003	0	39	0.0	-67.91	332.53	5.39	-62.52
CC1(C(=O)[O-])CC([NH2+]CC2=CC(F)=CC(Cl)=C2Cl)C1	REAL300012035004	0	33	0.0	-63.47	301.53	8.56	-54.91
CC(C)(C)COC1=CC=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1	REAL300012035005	0	49	0.0	-59.58	379.91	9.91	-49.67
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=CC(Cl)=C2F)C1	REAL300012035006	0	33	0.0	-64.38	310.10	8.71	-55.67
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)C1	REAL300012035007	0	36	0.0	-64.13	319.64	8.91	-55.22
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+]C3CC(C)(C(=O)[O-])C3)=CC=C2C1	REAL300012035008	0	57	0.0	-59.92	431.75	10.70	-49.22
CC1=CC(Br)=CC(C)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012035009	0	39	0.0	-61.08	322.58	9.24	-51.84
CC1(C(=O)[O-])CC([NH2+]CC2=C(O)C=CC(F)=C2Br)C1	REAL300012035010	0	34	0.0	-61.79	301.60	5.30	-56.49
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300012035011	0	49	0.0	-59.24	369.98	11.38	-47.86
CC1=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)SC(Br)=C1	REAL300012035012	0	33	0.0	-61.60	298.49	7.97	-53.63
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012035013	0	45	0.0	-68.42	364.53	9.62	-58.80
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C1	REAL300012035014	0	46	0.0	-60.87	370.91	12.03	-48.84
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=CC(Cl)=C2Br)C1	REAL300012035015	0	33	0.0	-61.98	315.08	9.09	-52.89
CCCCC(=O)NC1=CC=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=C1	REAL300012035016	0	49	0.0	-64.75	387.78	8.82	-55.93
CC1(C(=O)[O-])CC([NH2+]CC2=CSC(Br)=C2Br)C1	REAL300012035017	0	30	0.0	-56.97	296.80	7.76	-49.21
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(Br)=C2Br)C1	REAL300012035018	0	33	0.0	-56.51	303.32	8.65	-47.86
CC1=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)SC(Br)=C1Br	REAL300012035019	0	33	0.0	-63.26	309.53	8.77	-54.49
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=CN=C2Br)C1	REAL300012035020	0	32	0.0	-63.44	295.35	6.75	-56.69
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012035021	0	54	0.0	-58.23	389.95	10.08	-48.15
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C1	REAL300012035022	0	37	0.0	-66.89	330.15	7.92	-58.97
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C1	REAL300012035023	0	43	0.0	-59.07	354.43	10.34	-48.73
CC(C)(C)[Si](C)(C)OC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CC=C1	REAL300012035024	0	55	0.0	-62.35	427.05	12.48	-49.87
CC1=CC=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1C(F)(F)F	REAL300012035025	0	39	0.0	-59.27	312.93	9.15	-50.12
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C(F)(F)F)C=C2Br)C1	REAL300012035026	0	36	0.0	-59.20	323.09	9.10	-50.10
CC1(C(=O)[O-])CC([NH2+]CC2=CC3=NC=C(Br)C=C3O2)C1	REAL300012035027	0	35	0.0	-66.27	310.34	6.84	-59.43
CC1(C(=O)[O-])CC([NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)C1	REAL300012035028	0	38	0.0	-64.45	333.12	7.92	-56.53
CC1(C(=O)[O-])CC([NH2+]CC2=CC3=C(CCOC3)N=C2Cl)C1	REAL300012035029	0	40	0.0	-66.74	329.00	6.21	-60.53
CC1(C(=O)[O-])CC([NH2+]CC2=CC3=CC(Br)=CC=C3S2)C1	REAL300012035030	0	36	0.0	-63.68	326.72	9.71	-53.97
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012035031	0	46	0.0	-59.96	365.86	10.04	-49.92
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(Br)C=C2Br)C1	REAL300012035032	0	33	0.0	-56.86	305.65	8.72	-48.14
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=CC(F)=C2F)C1	REAL300012035033	0	33	0.0	-65.50	300.21	8.28	-57.22
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Cl)=C(Br)C=C2F)C1	REAL300012035034	0	33	0.0	-61.44	309.76	8.65	-52.79
CC1(C(=O)[O-])CC([NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)C1	REAL300012035035	0	35	0.0	-65.85	315.37	8.80	-57.05
COC1=C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C=CC(Br)=C1F	REAL300012035036	0	37	0.0	-63.35	324.46	7.62	-55.73
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC(C(F)(F)F)=C2F)C1	REAL300012035037	0	36	0.0	-61.43	311.56	8.58	-52.85
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012035038	0	51	0.0	-61.04	393.25	9.20	-51.84
CC1(C(=O)[O-])CC([NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)C1	REAL300012035039	0	39	0.0	-66.51	332.67	10.34	-56.17
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C1	REAL300012035040	0	46	0.0	-62.69	355.72	4.58	-58.11
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(CN3C=C(Br)C=N3)C=C2)C1	REAL300012035041	0	43	0.0	-63.40	373.60	9.84	-53.56
CC1(C(=O)[O-])CC([NH2+]CC2=C(F)C=C(I)C=C2F)C1	REAL300012035042	0	33	0.0	-57.44	306.53	8.72	-48.72
COC1=CC=C(OC)C(OC)=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300012035043	0	45	0.0	-56.21	355.26	6.17	-50.04
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)C1	REAL300012035044	0	50	0.0	-53.18	379.44	9.45	-43.73
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)C1	REAL300012035045	0	47	0.0	-58.78	381.64	11.08	-47.70
CC1=CC(C[NH2+]C2CC(C)(C(=O)[O-])C2)=CN=C1N1C=CC=N1	REAL300012035046	0	42	0.0	-62.93	337.99	8.85	-54.08
COC1=CC=C(Br)C(C[NH2+]C2CC(C)(C(=O)[O-])C2)=C1O	REAL300012035047	0	38	0.0	-55.75	325.12	5.24	-50.51
CC1=CC=C(N2C=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C(C(C)(C)C)=N2)C=C1	REAL300012035048	1	54	0.0	-77.17	421.64	11.24	-65.93
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OCC1=CC=CC=C1	REAL300012035049	0	50	0.0	-81.16	416.92	10.16	-71.00
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CC=C2)N=C1	REAL300012035051	0	49	0.0	-80.97	411.73	11.55	-69.42
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=CC=C2)N=C1	REAL300012035052	0	39	0.0	-76.08	332.89	6.85	-69.23
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OCC1=CC=C(F)C=C1	REAL300012035054	0	50	0.0	-81.32	423.34	10.22	-71.10
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=C2)C=C1	REAL300012035055	1	50	0.0	-84.50	417.89	8.29	-76.21
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(NC(=O)C3=CC=CC=C3Cl)=C2)N=C1	REAL300012035056	1	46	0.0	-85.70	401.01	9.50	-76.20
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035057	1	42	0.0	-80.39	355.65	8.73	-71.66
N#CCCN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CC=CC=C2)=N1	REAL300012035058	0	46	0.0	-84.14	398.23	9.51	-74.63
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OC(F)F	REAL300012035059	0	40	0.0	-81.67	344.92	6.46	-75.21
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CN=C2)N=C1	REAL300012035060	0	48	0.0	-85.96	406.28	9.79	-76.17
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(Br)C=C3)O2)N=C1	REAL300012035061	1	39	0.0	-76.08	357.95	9.50	-66.58
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(Br)=C1OC	REAL300012035062	1	43	0.0	-82.28	381.35	7.85	-74.43
CCOC1=C(Br)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035063	1	43	0.0	-82.20	381.35	7.88	-74.32
CCCOC1=CC=C(Br)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035064	1	42	0.0	-70.24	369.20	8.70	-61.54
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OC	REAL300012035065	0	43	0.0	-79.64	357.01	7.10	-72.54
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)N=C1	REAL300012035066	1	46	0.0	-69.15	386.32	10.34	-58.81
CCCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035067	0	48	0.0	-75.50	392.26	9.57	-65.93
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)N=C1	REAL300012035068	1	41	0.0	-81.04	364.85	9.55	-71.49
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)N=C1	REAL300012035069	1	41	0.0	-82.85	364.84	9.54	-73.31
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1Br	REAL300012035070	0	36	0.0	-78.29	326.33	6.95	-71.34
CC(C)OC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035071	1	42	0.0	-68.25	344.30	7.91	-60.34
CCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035072	0	49	0.0	-79.63	400.01	8.68	-70.95
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035073	0	46	0.0	-79.33	378.51	7.90	-71.43
C=CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035074	0	44	0.0	-79.76	369.92	7.69	-72.07
CCCCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035075	0	55	0.0	-79.25	443.01	10.25	-69.00
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)N=C1	REAL300012035076	1	39	0.0	-76.03	353.38	9.39	-66.64
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)N=C1	REAL300012035077	1	39	0.0	-73.73	353.54	9.43	-64.30
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC(Br)=C3)O2)N=C1	REAL300012035078	1	39	0.0	-76.24	357.95	9.48	-66.76
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)N=C1	REAL300012035079	0	39	0.0	-74.81	360.98	10.28	-64.53
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)N=C1	REAL300012035080	1	42	0.0	-78.56	360.65	8.65	-69.91
CCC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C2=CC=CC=C2O1	REAL300012035081	0	41	0.0	-76.03	341.52	8.94	-67.09
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)N=C1	REAL300012035082	1	41	0.0	-77.66	360.80	10.16	-67.50
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012035083	0	51	0.0	-83.46	418.22	8.09	-75.37
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OC(F)(F)F)N=C1	REAL300012035085	1	36	0.0	-73.55	321.00	6.85	-66.70
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(SC(F)(F)F)C=C2)N=C1	REAL300012035086	0	36	0.0	-78.32	332.80	8.45	-69.87
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(Cl)=C1	REAL300012035088	1	36	0.0	-72.87	318.60	6.72	-66.15
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2)N=C1	REAL300012035089	0	36	0.0	-78.47	322.40	6.78	-71.69
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S2)N=C1	REAL300012035090	0	41	0.0	-81.49	372.44	10.43	-71.06
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)N=C1	REAL300012035091	0	41	0.0	-76.99	372.91	10.50	-66.49
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)N=C1	REAL300012035092	0	39	0.0	-79.15	339.21	6.91	-72.24
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035093	0	42	0.0	-78.30	354.28	7.51	-70.79
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=CS2)N=C1	REAL300012035094	0	36	0.0	-74.63	320.10	6.11	-68.52
COC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035095	0	43	0.0	-78.83	362.32	6.14	-72.69
CC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)O2)C=C1	REAL300012035097	1	42	0.0	-74.70	358.06	9.55	-65.15
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)O1	REAL300012035098	0	39	0.0	-74.99	337.49	6.10	-68.89
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=CN=C2)N=C1	REAL300012035099	0	38	0.0	-83.44	327.34	5.09	-78.35
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)N=C1	REAL300012035100	0	45	0.0	-83.55	376.93	6.00	-77.55
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC3CCCO3)C=C2)N=C1	REAL300012035101	0	47	0.0	-78.66	384.73	7.59	-71.07
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)N=C1	REAL300012035102	0	39	0.0	-75.33	350.66	9.83	-65.50
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)N=C1	REAL300012035103	1	45	0.0	-74.04	379.08	8.64	-65.40
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035104	1	41	0.0	-75.17	347.27	5.99	-69.18
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)N=C1	REAL300012035105	0	39	0.0	-82.77	334.76	8.19	-74.58
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3C=NC=N3)C=C2)N=C1	REAL300012035106	0	38	0.0	-85.54	329.70	9.51	-76.03
CC(C)N1N=CC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=C(Cl)N=C21	REAL300012035107	1	43	0.0	-78.79	375.24	8.09	-70.70
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)N=C1	REAL300012035108	0	39	0.0	-74.09	361.16	10.29	-63.80
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OCC1=CC=NC=C1	REAL300012035109	0	49	0.0	-82.78	411.80	8.39	-74.39
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)N=C1	REAL300012035110	0	39	0.0	-75.03	353.61	9.94	-65.09
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)N=C1	REAL300012035111	1	35	0.0	-71.57	327.31	8.49	-63.08
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)N=C1	REAL300012035112	1	35	0.0	-84.38	320.73	8.04	-76.34
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2Cl)N=C1	REAL300012035113	1	32	0.0	-71.78	305.83	7.94	-63.84
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C=C2C(F)(F)F)N=C1	REAL300012035114	1	35	0.0	-75.39	311.33	8.14	-67.25
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)N=C1	REAL300012035115	1	35	0.0	-82.51	321.55	8.05	-74.46
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2F)N=C1	REAL300012035116	1	35	0.0	-73.69	319.98	8.05	-65.64
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(Cl)=C1OC	REAL300012035117	1	40	0.0	-77.10	351.06	6.76	-70.34
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OC(F)F)N=C1	REAL300012035119	1	36	0.0	-75.85	331.03	7.14	-68.71
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)N=C1	REAL300012035120	0	39	0.0	-74.52	360.99	10.27	-64.25
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=C2)=C1	REAL300012035121	0	47	0.0	-78.29	408.55	10.65	-67.64
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)N=C1	REAL300012035122	0	42	0.0	-82.96	358.91	5.50	-77.46
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OCC(F)(F)F	REAL300012035123	0	43	0.0	-82.98	376.59	7.56	-75.42
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)N=C1	REAL300012035124	0	45	0.0	-79.45	382.56	8.50	-70.95
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=C3OCCOC3=C2)N=C1	REAL300012035125	1	38	0.0	-80.37	341.26	6.80	-73.57
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=C3OCCCOC3=C2)N=C1	REAL300012035126	1	41	0.0	-81.34	359.70	7.58	-73.76
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3C=CC(C(F)(F)F)=N3)C=C2)N=C1	REAL300012035127	0	42	0.0	-85.71	375.93	9.15	-76.56
COCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035129	0	43	0.0	-75.85	361.39	6.48	-69.37
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1Cl	REAL300012035130	0	36	0.0	-78.52	321.94	6.83	-71.69
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=N1	REAL300012035133	1	48	0.0	-82.61	394.53	6.91	-75.70
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)N=C1	REAL300012035134	0	39	0.0	-77.28	347.34	7.67	-69.61
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=C2OCCO3)N=C1	REAL300012035135	1	38	0.0	-73.05	319.33	6.20	-66.85
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=C2OCCCO3)N=C1	REAL300012035136	1	41	0.0	-73.88	336.22	7.00	-66.88
CCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035138	0	42	0.0	-74.42	349.27	8.01	-66.41
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)N=C1	REAL300012035139	0	39	0.0	-74.14	342.46	9.57	-64.57
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC3CCCC3)=C2)N=C1	REAL300012035140	0	46	0.0	-74.10	370.50	9.18	-64.92
CC(C)OC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035141	0	42	0.0	-75.94	345.68	7.83	-68.11
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012035142	0	45	0.0	-75.54	385.29	9.01	-66.53
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)N=C1	REAL300012035144	0	46	0.0	-76.69	391.40	10.43	-66.26
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)N=C1	REAL300012035152	0	39	0.0	-75.23	350.67	9.83	-65.40
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035153	1	46	0.0	-73.26	383.24	7.86	-65.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OC2CCCC2)N=C1	REAL300012035154	1	46	0.0	-68.43	370.12	9.26	-59.17
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035155	1	49	0.0	-74.75	408.55	7.91	-66.84
CC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)S2)C=C1	REAL300012035156	0	42	0.0	-73.58	365.65	10.44	-63.14
COC1=CC(OC)=CC(OC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2)=C1	REAL300012035157	0	51	0.0	-79.43	425.81	8.52	-70.91
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035159	1	36	0.0	-76.63	338.75	7.43	-69.20
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC=C2Cl)N=C1	REAL300012035160	1	32	0.0	-71.69	310.41	8.04	-63.65
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)N=C1	REAL300012035162	0	43	0.0	-77.05	377.93	9.98	-67.07
CCOC1=C(OC)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035163	1	47	0.0	-84.10	390.17	7.04	-77.06
COCCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035164	0	46	0.0	-76.12	382.94	7.08	-69.04
COC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035165	1	40	0.0	-74.74	343.77	5.90	-68.84
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(Br)=C2OC(F)F)N=C1	REAL300012035166	1	36	0.0	-75.87	331.91	7.24	-68.63
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCCCC3=CC=CC=C3)=C2)N=C1	REAL300012035168	0	52	0.0	-75.76	430.67	11.82	-63.94
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OC1=CC=CN=C1	REAL300012035169	0	45	0.0	-78.44	381.72	8.86	-69.58
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC(=O)NCC2CC2)N=C1	REAL300012035170	1	50	0.0	-72.63	418.05	8.27	-64.36
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)S2)C=C1	REAL300012035171	1	41	0.0	-76.27	362.84	8.68	-67.59
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)N=C1	REAL300012035172	0	37	0.0	-70.57	332.93	8.02	-62.55
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)N=C1	REAL300012035173	0	37	0.0	-74.31	321.81	7.56	-66.75
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)N=C1	REAL300012035174	0	37	0.0	-71.64	322.64	7.58	-64.06
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)N=C1	REAL300012035175	0	37	0.0	-73.48	330.64	7.95	-65.53
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)N=C1	REAL300012035176	1	39	0.0	-75.81	351.14	9.04	-66.77
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)O1	REAL300012035177	1	42	0.0	-76.28	363.61	9.62	-66.66
CCC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)O2)C=C1	REAL300012035178	1	45	0.0	-74.55	379.54	10.32	-64.23
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(OC(F)F)=C1	REAL300012035179	1	40	0.0	-78.31	343.77	5.92	-72.39
COC1=CC=C2OC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=CC2=C1	REAL300012035180	1	39	0.0	-78.39	333.77	6.79	-71.60
O=C([O-])C1=CC=C(C[NH2+]CC=CC2=CC=C(Cl)C=C2)N=C1	REAL300012035181	0	36	0.0	-76.79	324.18	8.81	-67.98
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1Br	REAL300012035183	0	35	0.0	-75.19	315.91	8.17	-67.02
O=C([O-])C1=CC=C(C[NH2+]CC=CC2=CC=C(F)C=C2F)N=C1	REAL300012035184	0	36	0.0	-78.38	319.37	8.39	-69.99
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1Br	REAL300012035185	0	35	0.0	-77.39	315.91	8.17	-69.22
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC3=C2OCC3)N=C1	REAL300012035187	1	37	0.0	-71.75	328.91	7.34	-64.41
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC2=CC=CN=C12	REAL300012035188	0	40	0.0	-81.57	337.64	8.18	-73.39
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)O2)C=C1	REAL300012035189	1	51	0.0	-74.31	412.77	11.19	-63.12
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035190	1	52	0.0	-68.30	402.44	10.61	-57.69
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035191	1	52	0.0	-71.00	418.84	10.11	-60.89
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2C)=C1	REAL300012035192	0	55	0.0	-77.50	453.18	12.55	-64.95
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1C	REAL300012035193	0	55	0.0	-77.66	445.66	12.47	-65.19
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035194	0	50	0.0	-76.88	411.25	11.76	-65.12
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035195	1	48	0.0	-78.86	415.38	10.11	-68.75
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1F	REAL300012035196	0	46	0.0	-79.36	376.88	8.15	-71.21
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C(SC)C=C1OC	REAL300012035197	1	44	0.0	-74.10	370.77	7.12	-66.98
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(SC(F)F)C=C2)N=C1	REAL300012035200	0	36	0.0	-77.33	326.23	8.25	-69.08
CC1=CC(Cl)=CC(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035201	0	38	0.0	-75.83	326.30	8.56	-67.27
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)N=C1	REAL300012035202	1	36	0.0	-82.11	321.90	6.63	-75.48
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035203	0	38	0.0	-79.09	330.31	8.63	-70.46
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(Cl)=C1OC	REAL300012035204	1	40	0.0	-82.55	355.11	6.82	-75.73
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC=C2OC(F)F)N=C1	REAL300012035205	1	36	0.0	-75.74	335.60	7.25	-68.49
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OCC(C)C	REAL300012035207	0	49	0.0	-79.13	398.62	8.58	-70.55
CCCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OC	REAL300012035208	0	46	0.0	-79.35	378.51	7.90	-71.45
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)S2)N=C1	REAL300012035209	0	29	0.0	-74.75	288.31	6.82	-67.93
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(Cl)=C1OC	REAL300012035210	1	43	0.0	-82.54	376.97	7.74	-74.80
COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1OC(C)C	REAL300012035211	1	46	0.0	-71.97	374.58	7.95	-64.02
CCOC1=C(Cl)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035212	1	43	0.0	-82.45	376.97	7.77	-74.68
CCCOC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=CC=C1OCC	REAL300012035213	1	49	0.0	-73.40	401.26	8.99	-64.41
CCCCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OC	REAL300012035214	0	49	0.0	-79.53	400.01	8.68	-70.85
CCCOC1=C(Cl)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OCC	REAL300012035215	1	49	0.0	-82.34	420.32	9.50	-72.84
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC(F)F	REAL300012035217	0	40	0.0	-76.46	344.92	6.47	-69.99
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OC(F)F	REAL300012035218	0	43	0.0	-81.67	366.77	7.38	-74.29
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(C)=C1OC(F)F	REAL300012035219	0	42	0.0	-77.93	353.72	7.98	-69.95
CCOC1=CC2=C(C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1)OC(C)C2	REAL300012035220	1	47	0.0	-69.89	383.29	7.87	-62.02
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC2=C1OCCO2	REAL300012035221	1	42	0.0	-81.41	350.10	6.01	-75.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)N=C1	REAL300012035222	1	41	0.0	-80.09	370.89	8.41	-71.68
CCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1OC(F)F	REAL300012035224	1	43	0.0	-74.25	365.34	7.57	-66.68
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC(=O)N2CCCC2)N=C1	REAL300012035225	1	50	0.0	-72.95	410.61	9.15	-63.80
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2C2=CC=CC=C2)N=C1	REAL300012035226	0	52	0.0	-76.89	437.02	12.03	-64.86
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)S2)N=C1	REAL300012035227	0	39	0.0	-73.68	344.26	9.76	-63.92
CCCOC1=C(Cl)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035228	1	46	0.0	-82.34	398.47	8.57	-73.77
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035229	1	54	0.0	-77.14	427.96	11.07	-66.07
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)N=C1	REAL300012035232	1	39	0.0	-76.90	351.36	9.05	-67.85
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035233	0	55	0.0	-80.32	445.25	9.44	-70.88
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2CCCCC2)=N1	REAL300012035234	1	48	0.0	-77.56	383.25	8.53	-69.03
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035235	1	51	0.0	-80.66	416.02	11.16	-69.50
CCC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035237	1	38	0.0	-65.57	325.93	8.63	-56.94
CC1=C(C)C=C2OC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=CC2=C1	REAL300012035238	1	41	0.0	-75.86	342.59	8.71	-67.15
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)N=C1	REAL300012035239	0	39	0.0	-78.27	349.52	7.36	-70.91
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OCC1=C(C)ON=C1C	REAL300012035240	0	52	0.0	-85.36	434.20	8.93	-76.43
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)N=C1	REAL300012035241	0	39	0.0	-83.23	332.37	9.37	-73.86
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)N=C1	REAL300012035242	1	39	0.0	-74.65	345.08	8.99	-65.66
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=C3OCCOC3=C2)N=C1	REAL300012035243	1	38	0.0	-80.62	336.88	6.68	-73.94
CCCCC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C2=CC=CC=C2O1	REAL300012035244	0	47	0.0	-76.68	384.52	10.49	-66.19
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)N=C1	REAL300012035245	0	45	0.0	-85.54	383.29	11.65	-73.89
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OCC1=CC=CS1	REAL300012035246	0	47	0.0	-80.81	407.15	9.23	-71.58
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035247	1	45	0.0	-79.61	378.16	9.13	-70.48
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)N=C1	REAL300012035248	1	41	0.0	-81.73	355.31	7.47	-74.26
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3Cl)=C2)N=C1	REAL300012035249	0	46	0.0	-76.10	400.85	10.85	-65.25
O=C([O-])C1=CC=C(C[NH2+]CC2CCC(C(F)(F)F)CC2)N=C1	REAL300012035250	0	41	0.0	-73.03	327.77	8.01	-65.02
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)N=C1	REAL300012035251	0	39	0.0	-84.39	353.57	7.75	-76.64
CCSC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035254	0	39	0.0	-74.67	338.09	8.84	-65.83
COCCC1(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)CCCCC1	REAL300012035257	0	48	0.0	-71.97	354.40	7.27	-64.70
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=C(Cl)S2)N=C1	REAL300012035258	1	29	0.0	-77.90	304.14	7.29	-70.61
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1[N+](=O)[O-]	REAL300012035259	1	49	0.0	-92.43	411.96	11.93	-80.50
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035260	0	42	0.0	-75.64	349.26	8.01	-67.63
COC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)O2)C([N+](=O)[O-])=C1	REAL300012035261	1	45	0.0	-78.67	390.25	9.45	-69.22
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)O2)N=C1	REAL300012035262	1	39	0.0	-77.79	368.54	9.84	-67.95
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3=CC=C(F)C=C3)C([N+](=O)[O-])=C2)N=C1	REAL300012035263	1	45	0.0	-95.93	397.46	11.20	-84.73
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2C2=CC=CN=C2)N=C1	REAL300012035265	0	51	0.0	-85.24	432.17	10.26	-74.98
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)O2)N=C1	REAL300012035267	1	39	0.0	-74.82	336.66	8.87	-65.95
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OC(C)C	REAL300012035268	0	46	0.0	-79.22	374.94	7.72	-71.50
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OCC	REAL300012035269	0	49	0.0	-79.35	400.37	8.82	-70.53
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1[N+](=O)[O-]	REAL300012035270	1	37	0.0	-85.12	320.62	8.18	-76.94
CC(C)OC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035272	0	42	0.0	-75.37	345.69	7.83	-67.54
CCCCCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035273	0	54	0.0	-75.37	435.26	11.13	-64.24
CC(C[NH2+]CC1=CC=C(C(=O)[O-])C=N1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012035274	0	53	0.0	-72.48	409.37	11.36	-61.12
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Br)C=CS2)N=C1	REAL300012035275	1	29	0.0	-69.06	286.09	6.62	-62.44
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2N2CCOCC2)N=C1	REAL300012035276	0	45	0.0	-71.33	360.84	6.57	-64.76
CC1=CC=C(C2=CC=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=C2)C=C1	REAL300012035278	0	45	0.0	-76.16	372.03	11.07	-65.09
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1[N+](=O)[O-]	REAL300012035280	1	38	0.0	-92.50	331.93	7.72	-84.78
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)N=C1	REAL300012035281	0	32	0.0	-78.78	309.87	8.00	-70.78
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035283	0	45	0.0	-75.15	372.48	11.07	-64.08
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)N=C1	REAL300012035284	0	38	0.0	-84.09	354.20	9.00	-75.09
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC(F)F)=C2)N=C1	REAL300012035285	0	36	0.0	-78.61	315.67	6.57	-72.04
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OCC	REAL300012035286	0	46	0.0	-79.47	378.87	8.02	-71.45
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)N=C1	REAL300012035287	0	35	0.0	-83.22	328.31	8.40	-74.82
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)N=C1	REAL300012035289	0	36	0.0	-78.80	322.41	6.78	-72.02
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035290	0	46	0.0	-75.99	384.62	10.05	-65.94
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)N=C1	REAL300012035291	1	42	0.0	-76.35	375.70	9.88	-66.47
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C2=CC=CC=C12	REAL300012035292	0	42	0.0	-77.72	345.73	8.47	-69.25
O=C([O-])C1=CC=C(C[NH2+]CC2=NNC=C2C2=CC=CC=C2)N=C1	REAL300012035293	1	39	0.0	-69.78	334.93	6.95	-62.83
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(Br)=C2)N=C1	REAL300012035295	1	29	0.0	-76.70	288.06	6.67	-70.03
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OCC1=CC=CN=C1	REAL300012035296	0	49	0.0	-84.31	411.76	8.37	-75.94
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)S2)N=C1	REAL300012035297	0	39	0.0	-76.06	376.14	10.73	-65.33
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OCC2=CC=CN=C2)N=C1	REAL300012035298	1	45	0.0	-72.83	397.82	9.06	-63.77
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C(C2=CC=CC=C2)C=C1OC	REAL300012035299	0	50	0.0	-72.86	407.62	9.58	-63.28
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)N=C1	REAL300012035300	0	42	0.0	-76.13	350.63	10.39	-65.74
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)N=C1	REAL300012035301	1	45	0.0	-70.70	381.21	8.54	-62.16
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)N=C1	REAL300012035302	0	43	0.0	-77.91	350.33	6.89	-71.02
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C(F)=C2)N=C1	REAL300012035303	1	32	0.0	-81.71	303.42	7.65	-74.06
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)N=C1	REAL300012035304	0	41	0.0	-73.68	348.14	8.86	-64.82
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)N=C1	REAL300012035305	0	41	0.0	-78.21	345.64	8.63	-69.58
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)N=C1	REAL300012035306	0	41	0.0	-79.76	345.83	8.64	-71.12
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035307	1	47	0.0	-74.88	369.27	7.50	-67.38
C[NH+]1CCN(C2=CC=C(CNCC3=CC=C(C(=O)[O-])C=N3)C=C2)CC1	REAL300012035308	1	49	0.0	-71.59	385.38	6.70	-64.89
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)N=C1	REAL300012035309	0	41	0.0	-81.16	357.74	5.48	-75.68
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)N=C1	REAL300012035310	1	39	0.0	-82.27	341.65	8.26	-74.01
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035311	1	45	0.0	-79.08	388.49	9.58	-69.50
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)N=C1	REAL300012035312	1	39	0.0	-81.60	351.97	8.72	-72.88
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035313	1	45	0.0	-83.44	387.12	9.33	-74.11
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(C)=C1OCC1=CC=CC=N1	REAL300012035315	0	51	0.0	-78.48	422.25	10.08	-68.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)N=C1	REAL300012035316	0	39	0.0	-79.33	347.34	7.67	-71.66
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OCC1=CC=CC=C1	REAL300012035317	0	53	0.0	-80.80	438.78	11.08	-69.72
COC1=C2OC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=CC2=CC=C1	REAL300012035318	1	39	0.0	-77.59	333.79	6.80	-70.79
CC(C)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1[N+](=O)[O-]	REAL300012035319	1	43	0.0	-87.85	361.50	9.49	-78.36
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=C3OCOC3=C2)N=C1	REAL300012035320	1	35	0.0	-83.12	323.77	6.26	-76.86
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035321	1	48	0.0	-76.48	398.60	9.59	-66.89
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035322	1	48	0.0	-79.08	410.50	9.99	-69.09
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OCC(C)C	REAL300012035323	0	52	0.0	-78.93	420.47	9.50	-69.43
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC=C2F)N=C1	REAL300012035324	1	32	0.0	-73.18	303.27	7.63	-65.55
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C=C2F)N=C1	REAL300012035326	1	32	0.0	-76.52	303.28	7.64	-68.88
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(OC)=C1	REAL300012035327	0	40	0.0	-75.37	335.41	5.59	-69.78
COC1=CC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2C=C1	REAL300012035328	0	42	0.0	-79.04	351.87	8.54	-70.50
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CS2)N=C1	REAL300012035330	0	29	0.0	-74.15	288.10	6.71	-67.44
CCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OCC	REAL300012035331	0	52	0.0	-79.58	421.86	9.60	-69.98
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035332	1	45	0.0	-79.75	372.72	9.08	-70.67
COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1OC(F)F	REAL300012035333	1	40	0.0	-74.46	343.63	6.65	-67.81
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(CSC(F)F)O2)N=C1	REAL300012035334	1	36	0.0	-75.57	336.94	7.57	-68.00
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3N=C2N2CCCCC2)N=C1	REAL300012035335	1	52	0.0	-77.40	414.48	10.25	-67.15
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3NC2=O)N=C1	REAL300012035336	1	38	0.0	-71.88	326.76	6.04	-65.84
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C(Br)=C2)N=C1	REAL300012035338	0	32	0.0	-81.35	303.42	7.64	-73.71
CC1=CC=C(COC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2)C=C1	REAL300012035339	0	49	0.0	-77.09	409.08	10.94	-66.15
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCCCC3)C=C2)N=C1	REAL300012035340	0	47	0.0	-73.22	369.34	8.27	-64.95
CCCCCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035341	0	51	0.0	-74.17	413.76	10.35	-63.82
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1SC	REAL300012035342	0	40	0.0	-79.67	345.33	7.33	-72.34
N#CCCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035343	0	43	0.0	-81.15	370.12	8.53	-72.62
CCCCCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OC	REAL300012035344	0	52	0.0	-79.50	421.51	9.46	-70.04
CCC(C)OC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OC	REAL300012035345	0	49	0.0	-79.43	395.70	8.52	-70.91
CCCCCCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035346	0	54	0.0	-74.09	435.26	11.13	-62.96
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OCCCC#N	REAL300012035347	0	47	0.0	-90.72	399.37	8.42	-82.30
C=C(C)COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OC	REAL300012035348	0	47	0.0	-80.53	389.33	8.46	-72.07
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OCCC(C)C	REAL300012035349	0	52	0.0	-79.55	417.58	9.21	-70.34
C=CCC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(OC)=C1O	REAL300012035350	0	44	0.0	-79.98	371.28	6.13	-73.85
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)N=C1	REAL300012035351	1	39	0.0	-82.71	335.81	6.92	-75.79
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OCC(F)(F)F	REAL300012035354	0	46	0.0	-83.11	398.44	8.49	-74.62
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)N=C1	REAL300012035357	0	45	0.0	-79.17	363.61	5.80	-73.37
C=CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1Cl	REAL300012035358	0	40	0.0	-78.75	356.70	8.34	-70.41
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)N=C1	REAL300012035359	1	38	0.0	-76.36	341.44	8.01	-68.35
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C2OC(C)CC2=C1	REAL300012035360	1	44	0.0	-72.54	362.83	6.86	-65.68
CC1(C)CC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=CC=C2O1	REAL300012035361	0	43	0.0	-77.57	353.82	8.23	-69.34
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035364	0	42	0.0	-78.46	354.15	7.50	-70.96
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)N=C1	REAL300012035365	0	35	0.0	-81.56	331.87	8.48	-73.08
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC(C(F)(F)F)=C2)N=C1	REAL300012035366	0	35	0.0	-81.49	336.44	8.58	-72.91
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C=C2Cl)N=C1	REAL300012035367	1	32	0.0	-74.88	310.40	8.04	-66.84
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(Br)=C1	REAL300012035368	1	35	0.0	-66.34	313.24	8.25	-58.09
CC(C)COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035369	0	45	0.0	-75.36	369.37	8.71	-66.65
COCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035370	0	43	0.0	-77.74	361.39	6.48	-71.26
CC(C)(C)N1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CC=CC=C2Cl)=N1	REAL300012035371	0	51	0.0	-78.38	430.65	10.71	-67.67
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035372	0	47	0.0	-78.99	405.16	10.68	-68.31
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)N=C1	REAL300012035373	0	36	0.0	-80.39	331.70	7.11	-73.28
CN1N=C(C2=CC=CC=C2)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1Cl	REAL300012035375	1	42	0.0	-71.12	370.78	8.47	-62.65
COC1=CC2=C(C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1)OCO2	REAL300012035376	1	39	0.0	-75.25	330.56	5.01	-70.24
CC(C)COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035377	0	45	0.0	-74.11	369.37	8.71	-65.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=CC(Br)=C2)N=C1	REAL300012035378	1	31	0.0	-79.67	292.58	5.80	-73.87
CC1(C)CC2=CC=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=C2O1	REAL300012035379	1	43	0.0	-69.63	353.62	8.20	-61.43
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC3=C2OCC3)N=C1	REAL300012035380	1	37	0.0	-71.67	333.47	7.44	-64.23
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CC=CC=C2)=N1	REAL300012035381	0	42	0.0	-75.68	355.62	8.16	-67.52
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)N=C1	REAL300012035382	0	39	0.0	-75.66	334.83	8.18	-67.48
CC1=C(Br)SC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035383	0	32	0.0	-74.87	307.92	7.42	-67.45
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C3=CC=CN=C23)N=C1	REAL300012035384	0	37	0.0	-73.76	334.70	8.04	-65.72
CC1=NC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2C=C1	REAL300012035385	0	40	0.0	-82.47	339.11	7.96	-74.51
COC1=CC=C(OC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2)C=C1	REAL300012035386	0	47	0.0	-80.96	394.60	9.12	-71.84
CC1=CC(C)=CC(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2)=C1	REAL300012035388	0	48	0.0	-76.22	393.43	11.72	-64.50
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1N1C=NC=N1	REAL300012035389	0	41	0.0	-84.50	350.70	10.52	-73.98
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC(F)=CC=C3O2)N=C1	REAL300012035390	1	35	0.0	-78.86	310.71	7.58	-71.28
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC(F)F)C=C2)N=C1	REAL300012035391	0	39	0.0	-80.95	340.77	7.53	-73.42
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035392	1	42	0.0	-81.41	371.62	9.31	-72.10
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)N=C1	REAL300012035393	0	46	0.0	-76.61	394.10	10.33	-66.28
CCCCOC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035394	1	45	0.0	-68.60	369.40	8.87	-59.73
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)N=C1	REAL300012035395	0	43	0.0	-79.57	377.01	11.09	-68.48
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C(OC(F)F)C=C1C	REAL300012035396	1	42	0.0	-74.18	353.39	7.85	-66.33
COC1=CC(C)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035397	0	43	0.0	-78.14	349.94	6.80	-71.34
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CSC=C2)N=C1	REAL300012035402	0	36	0.0	-75.85	323.29	5.84	-70.01
CC(C)SC1=CC(Br)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035403	1	42	0.0	-72.11	371.28	9.93	-62.18
CSC1=CC(Br)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035404	1	36	0.0	-72.58	333.42	8.53	-64.05
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)N=C1	REAL300012035405	1	42	0.0	-79.02	367.07	8.72	-70.30
CC(C)(C)C1CCC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)CC1	REAL300012035407	0	50	0.0	-70.96	359.20	9.08	-61.88
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C(Br)=C2)N=C1	REAL300012035408	0	36	0.0	-80.16	336.09	7.23	-72.93
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=C(C(F)(F)F)C=C3)N=C2)N=C1	REAL300012035409	1	45	0.0	-79.33	399.39	9.66	-69.67
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035410	1	46	0.0	-72.11	378.68	9.77	-62.34
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035411	1	46	0.0	-72.21	378.66	9.76	-62.45
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035412	1	45	0.0	-75.84	373.92	8.00	-67.84
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC3CC3)C=C2)N=C1	REAL300012035413	0	43	0.0	-76.03	359.44	8.79	-67.24
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OC2=CC=C(F)C=C2Cl)N=C1	REAL300012035414	1	43	0.0	-72.52	385.62	10.40	-62.12
COC1=CC(Cl)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1Cl	REAL300012035415	1	36	0.0	-74.19	334.61	7.28	-66.91
CC(C)CC1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)S1	REAL300012035416	1	40	0.0	-74.44	342.85	6.95	-67.49
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CS3)S2)N=C1	REAL300012035417	1	35	0.0	-76.22	333.31	7.08	-69.14
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CSC=C3)S2)N=C1	REAL300012035418	1	35	0.0	-76.22	332.57	6.95	-69.27
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)S2)O1	REAL300012035419	1	38	0.0	-78.28	346.12	6.91	-71.37
CC1=CC(Br)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035420	0	35	0.0	-76.75	313.15	8.16	-68.59
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C(Br)=C2)N=C1	REAL300012035421	0	32	0.0	-80.15	312.54	8.06	-72.09
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=CC=C2F)N=C1	REAL300012035422	0	39	0.0	-82.03	339.26	6.93	-75.10
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)N=C1	REAL300012035423	1	41	0.0	-75.75	350.25	8.69	-67.06
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)OC3=CC=CC=C32)N=C1	REAL300012035424	1	35	0.0	-72.76	320.53	7.94	-64.82
COCCOC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035425	1	43	0.0	-68.60	360.03	6.54	-62.06
COC1=C(Br)C=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035427	1	36	0.0	-75.48	325.83	7.08	-68.40
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CC=CS2)=N1	REAL300012035428	0	39	0.0	-74.27	343.10	7.43	-66.84
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OC2CCCC2)N=C1	REAL300012035429	1	46	0.0	-70.19	386.34	9.76	-60.43
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CCCO2)N=C1	REAL300012035432	1	47	0.0	-69.99	400.23	8.25	-61.74
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035433	1	51	0.0	-78.41	402.54	10.60	-67.81
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)N=C1	REAL300012035434	1	39	0.0	-76.52	343.06	8.94	-67.58
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)S1	REAL300012035435	1	40	0.0	-74.08	343.25	6.78	-67.30
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3OCCOC3=C2)N=C1	REAL300012035436	0	38	0.0	-78.42	320.91	6.14	-72.28
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(Br)=C2)N=C1	REAL300012035437	0	32	0.0	-76.56	297.70	7.60	-68.96
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2)N=C1	REAL300012035438	1	39	0.0	-79.33	335.24	8.20	-71.13
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=CC=C3Cl)N=C2)N=C1	REAL300012035439	1	42	0.0	-79.09	373.27	9.13	-69.96
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035440	0	46	0.0	-71.32	371.54	9.29	-62.03
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C=C2)N=C1	REAL300012035441	0	32	0.0	-77.55	297.70	7.61	-69.94
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(OC)=C1OC	REAL300012035442	1	44	0.0	-84.21	368.32	6.10	-78.11
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OC(F)F)N=C1	REAL300012035443	1	36	0.0	-74.41	314.31	6.63	-67.78
COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1OC	REAL300012035444	1	40	0.0	-73.73	336.18	6.33	-67.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C=C2Cl)N=C1	REAL300012035445	1	32	0.0	-74.76	305.85	7.94	-66.82
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCOCC3)C=C2)N=C1	REAL300012035446	0	45	0.0	-75.29	360.41	5.82	-69.47
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035447	0	40	0.0	-79.62	335.16	6.18	-73.44
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(OC)=C1	REAL300012035448	1	40	0.0	-72.28	334.02	5.65	-66.63
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012035449	0	35	0.0	-80.44	315.13	7.99	-72.45
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(Cl)=C2Cl)N=C1	REAL300012035450	1	32	0.0	-70.89	303.40	7.92	-62.97
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C(Cl)=C2)N=C1	REAL300012035451	0	32	0.0	-80.28	308.33	7.95	-72.33
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035452	0	53	0.0	-72.55	420.81	11.88	-60.67
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C=C2)N=C1	REAL300012035453	0	36	0.0	-77.64	315.66	6.57	-71.07
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2C(F)(F)F)N=C1	REAL300012035454	0	35	0.0	-70.83	304.97	8.06	-62.77
CCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035455	0	45	0.0	-75.65	370.76	8.79	-66.86
CC(C)CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035456	0	48	0.0	-75.53	388.33	9.31	-66.22
CCCCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035457	0	51	0.0	-75.37	413.76	10.35	-65.02
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)N=C1	REAL300012035458	0	43	0.0	-78.37	365.10	9.82	-68.55
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(OCCC)=C1	REAL300012035459	1	52	0.0	-71.54	420.73	9.10	-62.44
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035460	0	43	0.0	-79.46	357.01	7.10	-72.36
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2)N=C1	REAL300012035461	0	35	0.0	-79.29	315.47	8.00	-71.29
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(OC)=C1OC	REAL300012035462	1	44	0.0	-78.01	368.36	6.18	-71.83
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OCC1=CC=CC=C1	REAL300012035463	0	50	0.0	-80.75	416.92	10.16	-70.59
COC1=CC=C(Br)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035464	1	36	0.0	-70.76	325.85	6.96	-63.80
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(Br)=C1O	REAL300012035465	0	37	0.0	-81.85	337.07	4.76	-77.09
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)N=C1	REAL300012035466	0	42	0.0	-75.91	350.62	10.40	-65.51
COC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C2=CC=CC=C2C=C1	REAL300012035467	0	42	0.0	-67.81	346.78	8.46	-59.35
COC1=CC(OC)=C(OC)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035469	1	44	0.0	-74.97	363.17	5.55	-69.42
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)N=C1	REAL300012035471	0	46	0.0	-75.66	387.68	10.26	-65.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2Br)N=C1	REAL300012035472	1	32	0.0	-66.25	291.83	7.58	-58.67
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=C(Br)C=C3)N=C2)N=C1	REAL300012035473	1	39	0.0	-81.65	356.54	8.82	-72.83
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC(F)(F)F)N=C2)N=C1	REAL300012035474	1	35	0.0	-80.96	318.63	6.16	-74.80
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C(C)(C)C)=N1	REAL300012035475	1	44	0.0	-74.56	344.23	7.16	-67.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C=C2OC(F)F)N=C1	REAL300012035477	1	40	0.0	-78.81	353.53	6.20	-72.61
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCCCC3)C([N+](=O)[O-])=C2)N=C1	REAL300012035478	1	49	0.0	-86.88	399.42	10.23	-76.65
CN(CCC#N)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035479	0	44	0.0	-76.74	370.58	8.84	-67.90
O=C([O-])C1=CC=C(C[NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)N=C1	REAL300012035480	0	42	0.0	-74.47	356.52	8.73	-65.74
CCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1OC	REAL300012035481	1	43	0.0	-71.13	358.00	7.23	-63.90
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OCC(N)=O	REAL300012035482	0	44	0.0	-94.06	373.74	4.14	-89.92
CCNC(=O)COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035483	0	50	0.0	-89.44	417.16	6.42	-83.02
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC2=C1OCO2	REAL300012035484	1	39	0.0	-84.78	331.99	4.93	-79.85
COC1=CC2=C(C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1)OC(C)C2	REAL300012035486	1	44	0.0	-70.71	361.63	6.93	-63.78
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(OC)=C1OCC(N)=O	REAL300012035487	1	48	0.0	-93.41	406.90	3.94	-89.47
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(Cl)=C1OCC(N)=O	REAL300012035488	1	44	0.0	-91.93	393.70	4.80	-87.13
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(I)=C2)N=C1	REAL300012035491	0	32	0.0	-76.28	304.19	8.08	-68.20
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(I)C=C2)N=C1	REAL300012035492	0	32	0.0	-77.37	304.18	8.09	-69.28
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012035493	0	42	0.0	-82.97	371.57	7.85	-75.12
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035494	0	45	0.0	-68.80	365.65	10.82	-57.98
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035495	1	38	0.0	-86.44	337.09	4.51	-81.93
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)N=C1	REAL300012035496	0	42	0.0	-76.88	367.34	10.92	-65.96
COC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035497	1	36	0.0	-70.81	321.27	6.86	-63.95
COC(=O)C1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CN1C	REAL300012035498	1	39	0.0	-80.98	335.84	7.18	-73.80
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)N=C1	REAL300012035499	0	45	0.0	-77.74	380.45	8.57	-69.17
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C=N2)N=C1	REAL300012035500	1	31	0.0	-73.95	292.70	5.76	-68.19
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(N3CCOCC3)S2)N=C1	REAL300012035501	1	41	0.0	-76.99	350.10	4.30	-72.69
C#CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035502	0	41	0.0	-76.48	355.05	8.53	-67.95
CC1=NN(C)C2=NC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C12	REAL300012035503	0	40	0.0	-87.15	342.68	6.71	-80.44
CCOCC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OC	REAL300012035505	0	46	0.0	-73.37	380.00	7.20	-66.17
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C=C2C(F)(F)F)N=C1	REAL300012035509	0	35	0.0	-74.76	326.23	8.69	-66.07
CC(C)COC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035512	1	45	0.0	-68.61	368.01	8.77	-59.84
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC(Br)=C2)N=C1	REAL300012035514	1	32	0.0	-79.74	304.12	7.67	-72.07
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(Br)=C2F)N=C1	REAL300012035516	1	32	0.0	-73.33	301.48	7.65	-65.68
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=N1	REAL300012035517	1	42	0.0	-80.51	348.03	6.94	-73.57
CS(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035518	0	37	0.0	-87.55	328.62	5.58	-81.97
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C)=C1OC	REAL300012035519	0	43	0.0	-78.85	352.57	6.96	-71.89
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C(F)(F)F)S2)N=C1	REAL300012035521	1	31	0.0	-82.94	302.48	5.40	-77.54
CS(=O)(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035522	1	38	0.0	-85.54	337.10	4.50	-81.04
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3CCCC3)C=C2)N=C1	REAL300012035523	0	45	0.0	-72.57	359.95	10.18	-62.39
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2CCCC2)N=C1	REAL300012035525	1	42	0.0	-80.79	342.57	7.49	-73.30
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035526	1	42	0.0	-73.35	350.30	8.62	-64.73
COC1=CC(C)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C)=N1	REAL300012035527	0	41	0.0	-78.79	337.26	4.74	-74.05
CCC1=CC(OC)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035529	0	42	0.0	-74.83	339.38	7.57	-67.26
CC1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)N1C1=CC=CC=C1	REAL300012035530	1	42	0.0	-72.05	355.44	9.25	-62.80
CCCN1N=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1C	REAL300012035531	1	44	0.0	-75.41	360.58	7.35	-68.06
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC2=CC=CC=C21	REAL300012035532	0	42	0.0	-78.62	350.89	8.59	-70.03
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1F	REAL300012035533	0	39	0.0	-80.46	333.99	7.29	-73.17
COC1=CC=CC2=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=CC=C12	REAL300012035534	0	42	0.0	-77.83	345.75	8.47	-69.36
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035535	1	42	0.0	-74.34	350.65	8.83	-65.51
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)N=C1	REAL300012035537	1	39	0.0	-80.94	340.33	5.29	-75.65
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(Br)=C1	REAL300012035538	1	36	0.0	-72.30	322.18	6.82	-65.48
CC1=CC(Br)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)S1	REAL300012035539	1	32	0.0	-68.66	307.97	7.43	-61.23
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035540	0	47	0.0	-79.29	386.11	9.69	-69.60
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035541	1	42	0.0	-62.37	365.51	9.68	-52.69
CN1C(=O)CCC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=CC=C21	REAL300012035542	0	43	0.0	-83.65	353.11	7.91	-75.74
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035543	0	47	0.0	-71.22	399.28	10.18	-61.04
CC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035544	1	39	0.0	-74.33	335.71	7.30	-67.03
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)N=C1	REAL300012035545	1	38	0.0	-77.20	358.16	8.53	-68.67
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)N=C1	REAL300012035546	1	38	0.0	-79.41	345.95	8.25	-71.16
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035547	1	49	0.0	-70.54	400.46	10.43	-60.11
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)N=C1	REAL300012035548	1	43	0.0	-70.56	374.81	9.37	-61.19
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(OC)=C1OCC(F)F	REAL300012035549	1	47	0.0	-88.10	403.18	7.35	-80.75
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NC3=C(Br)C=CC=C23)N=C1	REAL300012035550	0	37	0.0	-86.36	333.29	7.98	-78.38
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3CCCC3)S2)N=C1	REAL300012035551	1	41	0.0	-74.21	348.32	7.62	-66.59
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)N=C1	REAL300012035552	1	38	0.0	-77.69	349.60	8.23	-69.46
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CO3)S2)N=C1	REAL300012035553	1	35	0.0	-78.39	324.21	6.09	-72.30
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C(Cl)=C2)N=C1	REAL300012035554	0	32	0.0	-80.39	312.54	8.06	-72.33
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)N=C1	REAL300012035555	1	44	0.0	-76.37	386.00	9.51	-66.86
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2)C=N1	REAL300012035556	0	42	0.0	-79.11	356.53	8.28	-70.83
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)N=C1	REAL300012035557	0	43	0.0	-79.14	371.52	9.90	-69.24
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CC=C(F)C=C2)=N1	REAL300012035558	0	42	0.0	-78.72	361.99	8.22	-70.50
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CC=C(C#N)C=C2)=N1	REAL300012035559	0	43	0.0	-84.25	376.41	8.55	-75.70
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)N1	REAL300012035560	1	40	0.0	-88.19	334.15	5.15	-83.04
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=N1	REAL300012035561	1	46	0.0	-82.10	384.78	9.41	-72.69
CCC1=NN(C)C(CC)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035562	1	44	0.0	-74.00	353.32	7.29	-66.71
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3CCC3)S2)N=C1	REAL300012035563	1	38	0.0	-74.15	330.97	7.10	-67.05
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3CCCO3)S2)N=C1	REAL300012035564	1	39	0.0	-78.16	340.45	5.22	-72.94
CN1N=C(Br)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035566	1	32	0.0	-84.41	298.81	5.10	-79.31
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)S2)C=N1	REAL300012035567	0	39	0.0	-76.91	350.36	7.67	-69.24
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3OCCCCOC3=C2)N=C1	REAL300012035568	0	44	0.0	-79.26	355.48	7.89	-71.37
CCOC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035569	1	39	0.0	-75.18	343.88	7.93	-67.25
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035571	1	43	0.0	-76.85	361.98	7.37	-69.48
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)N=C1	REAL300012035573	1	39	0.0	-78.73	339.03	7.96	-70.77
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3Br)C=C2)N=C1	REAL300012035574	0	42	0.0	-75.27	373.04	11.04	-64.23
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CN(C)N=C2)=C1	REAL300012035575	0	45	0.0	-66.81	374.50	8.82	-57.99
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CC=NN2C)=C1	REAL300012035576	0	45	0.0	-74.53	372.03	8.54	-65.99
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)N=C1	REAL300012035577	1	42	0.0	-83.21	373.95	9.20	-74.01
N#CCCN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CC=NC=C2)=N1	REAL300012035581	0	45	0.0	-85.55	393.17	7.77	-77.78
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)N=C1	REAL300012035582	0	38	0.0	-71.63	337.50	10.60	-61.03
COC(=O)C1=C(C)N(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035583	1	42	0.0	-84.46	354.46	7.49	-76.97
COCCCN1N=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035584	1	42	0.0	-80.74	349.29	5.34	-75.40
COCCOCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035586	0	46	0.0	-76.33	386.95	6.95	-69.38
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC=C2C(F)(F)F)N=C1	REAL300012035588	1	32	0.0	-70.74	296.34	6.96	-63.78
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)SC2=C(Cl)C=CC=C12	REAL300012035589	0	38	0.0	-74.50	347.06	9.51	-64.99
O=C([O-])C1=CC=C(C[NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)N=C1	REAL300012035590	0	46	0.0	-79.38	399.84	9.39	-69.99
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)N=C1	REAL300012035592	0	35	0.0	-86.33	316.02	6.09	-80.24
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)O1	REAL300012035593	0	42	0.0	-74.63	360.43	7.41	-67.22
COC(=O)C1=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CN1	REAL300012035596	0	39	0.0	-81.61	334.03	6.01	-75.60
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)S2)C=C1C	REAL300012035597	1	44	0.0	-76.43	380.51	9.23	-67.20
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035598	1	42	0.0	-84.72	359.29	8.94	-75.78
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035599	1	42	0.0	-81.99	367.00	9.48	-72.51
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035600	1	45	0.0	-80.27	377.05	9.41	-70.86
CC(C)(C#N)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035601	0	42	0.0	-78.98	353.03	8.94	-70.04
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=NN2C2=CC=CC=C2)N=C1	REAL300012035602	1	38	0.0	-82.50	326.73	6.62	-75.88
COC1=CC(OC)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1F	REAL300012035603	1	40	0.0	-75.27	340.17	5.72	-69.55
COC1=CC(F)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035604	1	40	0.0	-74.89	339.62	6.24	-68.65
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3F)=C2)N=C1	REAL300012035605	0	46	0.0	-76.58	397.80	10.50	-66.08
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035606	1	45	0.0	-80.25	376.36	9.46	-70.79
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012035607	0	45	0.0	-74.70	364.08	8.64	-66.06
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC(Br)=CC=C3O2)N=C1	REAL300012035608	1	35	0.0	-77.91	325.58	8.12	-69.79
CCC1=C2OC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=CC2=CC=C1	REAL300012035609	1	41	0.0	-75.82	347.19	8.94	-66.88
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC3CC3)=C2F)N=C1	REAL300012035610	1	40	0.0	-76.14	342.33	7.99	-68.15
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012035611	0	42	0.0	-74.92	342.59	7.84	-67.08
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(F)=C2OC(F)F)N=C1	REAL300012035612	1	36	0.0	-77.90	320.98	6.75	-71.15
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC=C2OC(F)F)N=C1	REAL300012035613	1	36	0.0	-76.81	320.70	6.69	-70.12
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3CCCC3)=C2)N=C1	REAL300012035614	0	45	0.0	-72.48	360.64	10.19	-62.29
CN1C=C(C2=NN(C)C=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=N1	REAL300012035615	0	42	0.0	-78.36	359.67	6.00	-72.36
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2C1	REAL300012035616	0	56	0.0	-79.76	442.32	10.16	-69.60
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)N=C1	REAL300012035617	1	38	0.0	-76.43	358.17	8.53	-67.90
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(C(F)(F)F)=C2)N=C1	REAL300012035618	1	32	0.0	-79.18	307.02	7.13	-72.05
O=C([O-])C1=CC=C(C[NH2+]CC2=C(C(F)(F)F)SC=C2)N=C1	REAL300012035620	1	32	0.0	-68.10	297.48	7.12	-60.98
CN(C)C1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=CC(F)=C1F	REAL300012035621	1	40	0.0	-79.78	336.06	7.06	-72.72
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C(Br)S2)N=C1	REAL300012035622	0	36	0.0	-76.09	341.77	6.84	-69.25
CC(C)OC1=CC(Cl)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1Cl	REAL300012035624	1	42	0.0	-73.80	374.38	8.83	-64.97
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3CCOC3)C=C2)N=C1	REAL300012035625	0	44	0.0	-77.48	361.76	6.63	-70.85
CN(C)C1=CC(F)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1F	REAL300012035626	1	40	0.0	-74.51	341.79	6.57	-67.94
COC(=O)C1=C2CCCCN2C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035627	1	46	0.0	-85.03	378.10	8.72	-76.31
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(C(F)(F)F)=C1	REAL300012035628	0	39	0.0	-79.61	344.64	7.28	-72.33
C=CCOC1=C(Cl)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035629	1	44	0.0	-82.82	389.87	8.35	-74.47
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC1CC1	REAL300012035630	0	44	0.0	-81.29	366.20	7.85	-73.44
CN1N=C(C(F)(F)F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035631	1	35	0.0	-87.35	318.50	5.58	-81.77
COCC(C)OC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035632	0	46	0.0	-77.45	377.99	7.19	-70.26
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=C(F)C=C2F)N=C1	REAL300012035633	1	46	0.0	-75.53	396.46	10.57	-64.96
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)N=C1	REAL300012035634	0	39	0.0	-76.77	343.77	9.60	-67.17
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2CCC2=CC=CC=C2)N=C1	REAL300012035635	1	45	0.0	-82.54	375.52	9.30	-73.24
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)N=C1	REAL300012035636	1	39	0.0	-80.17	354.60	7.94	-72.23
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1C(C)(C)C	REAL300012035637	0	48	0.0	-74.78	377.09	8.97	-65.81
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(CC3CCC3)=C2)N=C1	REAL300012035638	0	45	0.0	-72.90	367.46	10.49	-62.41
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=NC=C1Br	REAL300012035640	1	34	0.0	-73.62	311.22	6.35	-67.27
O=C([O-])C1=CC=C(C[NH2+]CC2=C(O)C=CC=C2Br)N=C1	REAL300012035642	0	33	0.0	-67.39	304.19	4.68	-62.71
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1Cl	REAL300012035644	0	36	0.0	-80.82	321.95	6.83	-73.99
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2CC2CCC2)N=C1	REAL300012035645	1	42	0.0	-80.20	347.10	7.54	-72.66
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2CC(F)(F)F)N=C1	REAL300012035647	0	38	0.0	-72.14	325.58	8.56	-63.58
COC1=CC(Cl)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300012035650	1	40	0.0	-72.79	346.94	6.66	-66.13
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)N=C1	REAL300012035651	0	38	0.0	-75.55	337.39	8.77	-66.78
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035652	0	52	0.0	-78.18	424.31	7.43	-70.75
CN1N=C2CCCCC2=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035653	1	42	0.0	-80.28	340.60	6.98	-73.30
CCOC(=O)C1=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C(C)N1	REAL300012035654	0	45	0.0	-77.78	376.48	7.36	-70.42
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)N=C1	REAL300012035655	0	42	0.0	-79.30	369.43	10.95	-68.35
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C(F)C=C1OC	REAL300012035658	1	43	0.0	-74.84	361.52	7.15	-67.69
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)N=C1	REAL300012035660	0	38	0.0	-81.00	322.94	9.15	-71.85
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2CN2C(=O)C3=CC=CC=C3C2=O)N=C1	REAL300012035662	1	46	0.0	-78.60	395.84	6.62	-71.98
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C(F)C=C1Br	REAL300012035663	1	36	0.0	-76.16	330.81	6.99	-69.17
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(Br)=C2Cl)N=C1	REAL300012035664	1	32	0.0	-70.99	307.61	8.03	-62.96
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)N=C1	REAL300012035665	1	36	0.0	-78.07	327.71	6.95	-71.12
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035666	1	42	0.0	-70.94	350.74	7.97	-62.97
CCOC1=CC(F)=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035667	1	39	0.0	-77.77	334.18	7.28	-70.49
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)N=C1	REAL300012035668	0	46	0.0	-87.44	372.41	8.00	-79.44
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C=C2F)N=C1	REAL300012035669	1	36	0.0	-78.38	321.23	6.59	-71.79
CC(C)(C)OC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035670	0	45	0.0	-73.87	356.81	8.12	-65.75
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C(F)C=C1C	REAL300012035671	1	39	0.0	-71.35	330.52	7.06	-64.29
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C)=C1Br	REAL300012035672	0	38	0.0	-75.59	327.50	8.71	-66.88
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035674	0	49	0.0	-78.82	398.48	7.23	-71.59
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CC(F)=CC=C2F)=N1	REAL300012035675	0	42	0.0	-79.64	368.65	8.31	-71.33
COCCC1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)S1	REAL300012035677	1	38	0.0	-76.96	338.27	4.77	-72.19
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC=C2OC2=CN=CC(Cl)=C2)N=C1	REAL300012035680	1	42	0.0	-76.75	381.81	8.66	-68.09
CN1N=C2CCSCC2=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035681	1	40	0.0	-83.12	339.97	6.63	-76.49
CCN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CC=CC=C2)=N1	REAL300012035682	0	45	0.0	-78.10	377.23	9.01	-69.09
COCC1=C(C)C=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1C	REAL300012035683	0	48	0.0	-73.00	377.94	8.21	-64.79
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3OC(=O)OC3=C2)N=C1	REAL300012035684	1	34	0.0	-90.31	304.17	7.53	-82.78
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(Cl)=C1	REAL300012035685	1	49	0.0	-73.02	420.34	11.84	-61.18
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OC2=CC=C(F)C(Cl)=C2)N=C1	REAL300012035686	1	43	0.0	-72.33	385.47	10.36	-61.97
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035687	1	46	0.0	-69.45	399.89	11.02	-58.43
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC=C2OC2=CC=CC(Cl)=C2)N=C1	REAL300012035688	1	43	0.0	-73.62	386.96	10.44	-63.18
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035689	1	49	0.0	-71.34	421.11	11.77	-59.57
CC1=C(Br)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)S1	REAL300012035690	0	32	0.0	-73.70	309.00	7.49	-66.21
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)N=C1	REAL300012035691	0	42	0.0	-77.63	367.35	10.91	-66.72
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1C	REAL300012035693	0	45	0.0	-75.28	369.34	8.75	-66.53
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1COC1=CC=CC=C1	REAL300012035694	0	50	0.0	-76.64	414.35	9.71	-66.93
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1CN1C=CC=N1	REAL300012035695	0	46	0.0	-81.69	388.50	7.97	-73.72
CC1=CC=C(Br)C(F)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035697	1	35	0.0	-71.67	319.33	8.13	-63.54
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012035698	1	49	0.0	-73.26	421.43	11.69	-61.57
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=CC=C1[N+](=O)[O-]	REAL300012035699	1	37	0.0	-87.93	316.72	8.24	-79.69
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035700	0	40	0.0	-84.44	335.66	8.64	-75.80
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(F)=C1OC	REAL300012035702	1	40	0.0	-79.42	344.46	6.32	-73.10
COC(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(F)=C1	REAL300012035703	1	38	0.0	-80.78	336.75	7.67	-73.11
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)N=C1	REAL300012035704	0	42	0.0	-77.79	363.06	7.36	-70.43
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)N=C1	REAL300012035705	0	46	0.0	-75.84	387.68	10.25	-65.59
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC(F)F)N=C1	REAL300012035706	1	39	0.0	-70.85	339.43	7.60	-63.25
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC=C2OC2=CC(F)=CC(F)=C2)N=C1	REAL300012035707	1	43	0.0	-76.29	384.69	10.13	-66.16
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035708	1	50	0.0	-70.17	414.48	10.39	-59.78
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC=C2OC2=CC=C(Cl)C=C2)N=C1	REAL300012035709	1	43	0.0	-72.97	385.85	10.37	-62.60
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035710	1	47	0.0	-73.20	409.34	10.87	-62.33
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035711	1	48	0.0	-77.32	391.19	9.97	-67.35
O=C([O-])C1=CC=C(CNCC2=CC=C(OCC[NH+]3CCCC3)C=C2)N=C1	REAL300012035714	1	51	0.0	-69.42	406.77	8.40	-61.02
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035715	1	40	0.0	-81.22	353.67	3.60	-77.62
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CNCC1=CC=C(C(=O)[O-])C=N1	REAL300012035717	0	52	0.0	-72.10	391.60	9.69	-62.41
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNCC1=CC=C(C(=O)[O-])C=N1	REAL300012035717	1	52	0.0	-72.19	394.77	9.75	-62.44
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCCN3C=CN=C3)C(Cl)=C2)N=C1	REAL300012035718	0	46	0.0	-83.07	405.69	10.38	-72.69
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)N=C1	REAL300012035719	1	38	0.0	-81.77	332.59	5.23	-76.54
CC1=NN2C(=NC(C)=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)S1	REAL300012035720	1	37	0.0	-77.84	331.65	6.18	-71.66
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)S1	REAL300012035721	1	43	0.0	-77.64	372.74	7.45	-70.19
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)N=C1	REAL300012035722	1	37	0.0	-63.30	330.15	7.92	-55.38
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)S2)N=C1	REAL300012035723	1	32	0.0	-78.16	307.27	7.29	-70.87
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(OCC2=CC=CN=C2)=C1	REAL300012035724	1	49	0.0	-75.81	410.63	7.84	-67.97
CN(C)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C(F)(F)F)=C1	REAL300012035726	0	43	0.0	-70.59	357.42	8.47	-62.12
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035727	0	42	0.0	-74.77	358.14	9.61	-65.16
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)N=C1	REAL300012035729	0	51	0.0	-76.11	413.49	10.50	-65.61
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035733	0	43	0.0	-76.66	363.05	8.38	-68.28
COCC1=CC=CC=C1C=C(C)C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035734	0	46	0.0	-76.70	374.92	8.58	-68.12
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035735	0	42	0.0	-74.54	351.01	7.89	-66.65
COC1=CC=C(N2C=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=N2)C=C1	REAL300012035737	1	43	0.0	-82.16	364.73	7.49	-74.67
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035738	0	47	0.0	-72.65	398.20	10.39	-62.26
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)N=C1	REAL300012035739	1	34	0.0	-80.87	315.82	4.96	-75.91
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)S1	REAL300012035741	1	35	0.0	-84.41	329.51	3.67	-80.74
O=C([O-])C1=CC=C(C[NH2+]CC2=C(C3=CC=CC=C3)N(C3CCCC3)N=C2)N=C1	REAL300012035742	0	52	0.0	-71.65	419.81	10.95	-60.70
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2=CC=CC=N2)N=C1	REAL300012035743	1	38	0.0	-70.83	328.59	7.68	-63.15
CC1=C(Br)C=NC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035745	1	34	0.0	-79.27	305.66	6.28	-72.99
CN1N=CC(C(F)(F)F)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035746	1	35	0.0	-76.37	313.19	5.56	-70.81
CN1N=CC(C2CCC2)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035747	1	42	0.0	-80.14	343.53	7.13	-73.01
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2=CC=NC=C2)N=C1	REAL300012035748	1	38	0.0	-78.79	327.68	6.13	-72.66
COC1=CC=C(C2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=CC3=C2OCO3)C=N1	REAL300012035749	0	48	0.0	-86.34	410.34	6.01	-80.33
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2CCOCC2)N=C1	REAL300012035750	1	43	0.0	-84.03	352.07	5.62	-78.41
O=C([O-])C1=CC=C(C[NH2+]CC2=C(OC3=CC=C(F)C=C3)N=C3C=CC=CN32)N=C1	REAL300012035751	1	46	0.0	-79.62	395.41	10.11	-69.51
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035752	1	41	0.0	-76.11	349.54	7.41	-68.70
CC1=CC(C)=C(C=CC[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012035754	0	45	0.0	-75.26	366.43	10.12	-65.14
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)N=C1	REAL300012035755	0	52	0.0	-76.98	416.43	5.85	-71.13
CC(C)(C)OC(=O)NC(C[NH2+]CC1=CC=C(C(=O)[O-])C=N1)CC(F)F	REAL300012035756	0	48	0.0	-84.50	382.99	5.80	-78.70
CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035758	1	40	0.0	-70.72	335.29	7.07	-63.65
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)N=C1	REAL300012035759	0	37	0.0	-88.03	323.83	7.42	-80.61
CC1=CC(C)=C(C=CC[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1C	REAL300012035760	0	45	0.0	-74.46	364.03	10.03	-64.43
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035761	1	37	0.0	-87.04	330.63	1.94	-85.10
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2CCCC2)=N1	REAL300012035763	1	45	0.0	-77.50	364.74	7.89	-69.61
CC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1Br	REAL300012035764	1	35	0.0	-69.83	310.90	8.11	-61.72
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)N=C1	REAL300012035765	0	43	0.0	-76.62	371.54	9.90	-66.72
CN(C)C(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035766	1	42	0.0	-81.60	348.58	6.83	-74.77
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C2CCCCC2=N1	REAL300012035768	0	44	0.0	-79.00	348.99	8.17	-70.83
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2N2CCCCC2)N=C1	REAL300012035769	0	47	0.0	-68.47	370.36	9.02	-59.45
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)F)C(F)=C2)N=C1	REAL300012035771	0	35	0.0	-85.62	315.84	7.96	-77.66
COC(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1C	REAL300012035772	0	41	0.0	-82.54	347.24	8.18	-74.36
CC1=C(Cl)C=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1Cl	REAL300012035773	1	35	0.0	-74.42	321.91	8.44	-65.98
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C(C)C=C1I	REAL300012035774	0	38	0.0	-75.94	336.55	9.25	-66.69
CSCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035776	0	39	0.0	-74.58	342.53	8.87	-65.71
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3CCC3)N=C2)N=C1	REAL300012035777	1	42	0.0	-76.91	348.65	7.73	-69.18
CN1N=C2CCOCC2=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035778	1	40	0.0	-82.65	331.72	4.58	-78.07
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035779	1	45	0.0	-70.58	378.64	8.54	-62.04
COC(=O)COC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035780	1	42	0.0	-71.63	360.91	7.94	-63.69
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035781	0	42	0.0	-86.98	347.47	6.83	-80.15
CCNC(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035782	0	42	0.0	-85.57	354.37	6.11	-79.46
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C3CCCCCN23)N=C1	REAL300012035783	1	42	0.0	-79.04	332.48	7.38	-71.66
COC1=CC=C2SC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=CC2=C1	REAL300012035784	0	39	0.0	-75.95	343.34	7.82	-68.13
CCN(CC)C(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035785	0	48	0.0	-86.70	387.41	8.72	-77.98
CCN1CCC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=CC=C21	REAL300012035786	0	44	0.0	-74.79	355.71	7.61	-67.18
CCN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035787	0	45	0.0	-86.77	369.27	7.84	-78.93
CSC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1Cl	REAL300012035788	0	36	0.0	-78.88	331.64	8.45	-70.43
CC1=NN(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C(C)=C2)C=C1	REAL300012035789	0	45	0.0	-82.91	372.18	9.31	-73.60
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)N=C1	REAL300012035790	0	38	0.0	-80.36	347.60	8.86	-71.50
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035791	0	42	0.0	-81.46	366.77	9.30	-72.16
CCC1=CC(Br)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)S1	REAL300012035792	1	35	0.0	-68.64	329.44	8.21	-60.43
CC1=NN(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2)C=C1Cl	REAL300012035793	0	42	0.0	-81.75	373.32	9.27	-72.48
COC(=O)C1=CC2=C(C=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)O2)N1	REAL300012035794	1	39	0.0	-82.86	345.00	5.78	-77.08
CC(C)(C[NH2+]CC1=CC=C(C(=O)[O-])C=N1)C1=CC=C(Br)C=C1	REAL300012035796	0	41	0.0	-75.04	345.77	9.33	-65.71
CC1=NN(C(C)C)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035797	1	44	0.0	-75.15	359.91	7.29	-67.86
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC(Br)=C2)N=C1	REAL300012035798	0	32	0.0	-78.71	314.44	8.10	-70.61
CC1=CC=C(C2=CC=CC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012035799	0	48	0.0	-68.61	386.96	11.49	-57.12
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035801	0	52	0.0	-79.26	424.30	7.44	-71.82
COC(=O)C1=C2COCCN2C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035802	1	44	0.0	-86.76	369.83	6.36	-80.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)N=C1	REAL300012035803	0	49	0.0	-85.11	391.95	8.93	-76.18
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035804	0	42	0.0	-82.21	347.74	9.90	-72.31
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(Cl)=C2Cl)N=C1	REAL300012035805	1	35	0.0	-78.40	338.56	8.82	-69.58
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)N=C1	REAL300012035806	0	36	0.0	-75.36	332.63	5.90	-69.46
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C(C(C)(C)C)O1	REAL300012035810	1	44	0.0	-72.13	360.36	8.55	-63.58
CC(C)(C)OC(=O)N1CCC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)CC1	REAL300012035812	0	52	0.0	-79.34	400.12	8.02	-71.32
CC1=CC(Br)=CN=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035813	1	34	0.0	-72.66	309.80	6.29	-66.37
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)N=C1	REAL300012035814	1	38	0.0	-83.38	350.29	4.90	-78.48
CC1OC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2C1C	REAL300012035815	0	43	0.0	-77.59	349.80	8.09	-69.50
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC(F)F	REAL300012035816	0	39	0.0	-74.75	335.74	7.31	-67.44
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)NN=C1C(F)(F)F	REAL300012035820	1	35	0.0	-85.91	316.14	4.90	-81.01
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C(F)(F)F)=NN2)N=C1	REAL300012035821	1	32	0.0	-86.24	297.67	4.35	-81.89
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2)O1	REAL300012035823	0	49	0.0	-82.62	425.30	9.17	-73.45
CC1=C(Br)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C(C)S1	REAL300012035824	1	35	0.0	-66.69	325.26	7.95	-58.74
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CC=CC(F)=C2)=N1	REAL300012035825	0	42	0.0	-83.59	362.11	8.20	-75.39
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(CC3CC3)S2)N=C1	REAL300012035826	0	39	0.0	-70.67	341.61	9.23	-61.44
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)N=C1	REAL300012035827	1	36	0.0	-78.62	327.97	6.80	-71.82
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)N=C1	REAL300012035828	0	38	0.0	-79.18	347.61	8.86	-70.32
CC1=NC=CN1C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012035829	0	45	0.0	-83.56	371.60	10.01	-73.55
CC1=C(C)N(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2)C=N1	REAL300012035830	0	45	0.0	-84.60	374.14	10.59	-74.01
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)N=C1	REAL300012035831	0	46	0.0	-73.60	371.36	11.01	-62.59
C[NH+](C)CCC1=CC=C(CNCC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035832	1	46	0.0	-72.35	374.09	8.37	-63.98
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035833	1	42	0.0	-80.36	354.37	6.10	-74.26
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)OC2=CC=C(F)C=C12	REAL300012035834	1	38	0.0	-78.02	331.12	8.21	-69.81
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035835	1	42	0.0	-83.76	356.51	8.15	-75.61
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=C(Br)C=CC=C3S2)N=C1	REAL300012035836	0	35	0.0	-74.25	334.24	9.10	-65.15
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)N=C1	REAL300012035838	0	42	0.0	-74.73	349.19	9.02	-65.71
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=CC(Br)=C2)N=C1	REAL300012035840	0	39	0.0	-82.46	353.73	7.46	-75.00
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C(F)(F)F)=N1	REAL300012035842	1	35	0.0	-78.97	314.88	5.83	-73.14
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C(F)F)=C2F)N=C1	REAL300012035843	1	35	0.0	-77.69	315.00	7.92	-69.77
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035844	0	45	0.0	-85.47	391.61	9.71	-75.76
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035845	1	39	0.0	-70.31	343.13	7.79	-62.52
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C(Br)C=C2)N=C1	REAL300012035846	0	39	0.0	-78.20	354.11	7.47	-70.73
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)N=C1	REAL300012035848	0	39	0.0	-83.86	338.84	6.91	-76.95
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)N=C1	REAL300012035850	1	34	0.0	-90.61	311.03	7.72	-82.89
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3CCCCC3)N=C2)N=C1	REAL300012035851	1	45	0.0	-75.06	361.06	8.04	-67.02
CN(CCO)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=N1	REAL300012035854	0	43	0.0	-76.93	355.98	4.55	-72.38
COC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=CC=C1C(C)(C)C	REAL300012035855	1	48	0.0	-70.91	370.09	8.72	-62.19
COC1=CC(C)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1O	REAL300012035857	1	40	0.0	-77.05	331.42	4.74	-72.31
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)N=C1	REAL300012035858	1	38	0.0	-75.47	333.16	6.10	-69.37
CN1C(=O)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC2=CC=CC=C21	REAL300012035859	1	41	0.0	-71.61	343.75	7.78	-63.83
CC1=CC(C)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C)=C1Br	REAL300012035860	0	41	0.0	-74.32	346.72	9.10	-65.22
O=C([O-])C1=CC=C(C[NH2+]CC=CC2=CC=C3OCOC3=C2)N=C1	REAL300012035861	0	39	0.0	-80.79	333.51	6.94	-73.85
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(CC3CCC3)C=C2)N=C1	REAL300012035862	0	45	0.0	-72.13	367.52	10.50	-61.63
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035863	0	42	0.0	-81.15	372.59	7.76	-73.39
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035865	0	49	0.0	-80.47	398.22	7.23	-73.24
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2CC2(F)F)N=C1	REAL300012035866	1	36	0.0	-87.10	320.14	6.53	-80.57
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C(F)(F)F)=CO1	REAL300012035867	1	35	0.0	-73.09	316.27	6.81	-66.28
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035868	0	38	0.0	-77.68	329.61	8.51	-69.17
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)N=C1	REAL300012035869	1	38	0.0	-80.46	339.34	7.76	-72.70
CN1C=C(C2=NNC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=N1	REAL300012035870	0	39	0.0	-78.65	336.71	4.69	-73.96
CC(C)(C#N)C1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)S1	REAL300012035872	1	38	0.0	-82.19	342.52	6.40	-75.79
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)N=C1	REAL300012035875	0	39	0.0	-75.71	341.98	9.41	-66.30
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)N=C1	REAL300012035876	0	38	0.0	-78.64	334.09	9.62	-69.02
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C(Br)=C2F)N=C1	REAL300012035877	1	32	0.0	-77.57	316.30	8.10	-69.47
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OC2CCCCC2)N=C1	REAL300012035878	1	49	0.0	-68.28	385.97	9.82	-58.46
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)N=C1	REAL300012035879	0	43	0.0	-78.86	381.83	10.34	-68.52
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)N=C1	REAL300012035880	0	52	0.0	-74.74	406.60	10.50	-64.24
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=C(Cl)C=C2)N=C1	REAL300012035881	1	46	0.0	-70.82	403.06	10.86	-59.96
COC1=CC=CC(OC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2)=C1	REAL300012035882	0	47	0.0	-81.65	394.61	9.14	-72.51
CCN1CCCC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=CC=C21	REAL300012035883	0	47	0.0	-73.68	365.63	8.12	-65.56
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035886	0	47	0.0	-82.08	395.31	9.76	-72.32
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)N=C1	REAL300012035888	0	45	0.0	-78.64	385.53	11.67	-66.97
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)N=C1	REAL300012035889	0	36	0.0	-79.26	332.81	8.44	-70.82
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=C(Cl)C=C3)=C2)N=C1	REAL300012035890	0	46	0.0	-75.93	404.42	10.79	-65.14
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)N=C1	REAL300012035891	0	45	0.0	-78.19	369.62	7.66	-70.53
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C=C2OC(F)F)N=C1	REAL300012035892	1	36	0.0	-79.20	335.60	7.25	-71.95
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)SC2=CC(F)=CC=C12	REAL300012035893	0	38	0.0	-75.58	336.95	9.11	-66.47
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)N=C1	REAL300012035894	1	38	0.0	-86.33	331.03	5.16	-81.17
COC1=CC(OC)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C2=NC(Cl)=CC=C12	REAL300012035896	1	45	0.0	-65.10	389.53	6.68	-58.42
CN1C=CC(C2=NNC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=N1	REAL300012035897	0	39	0.0	-73.11	336.71	5.04	-68.07
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCCC2CCCCC2)N=C1	REAL300012035899	1	55	0.0	-68.74	428.61	11.29	-57.45
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3CCC3)=C2)N=C1	REAL300012035900	0	46	0.0	-74.29	376.01	9.34	-64.95
CC(F)(F)C1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035901	0	38	0.0	-67.13	316.90	8.52	-58.61
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OCCO	REAL300012035902	0	44	0.0	-82.51	368.39	4.02	-78.49
CCN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2CC2)=N1	REAL300012035903	1	42	0.0	-77.15	353.10	7.79	-69.36
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OCCO	REAL300012035904	0	44	0.0	-82.59	368.38	4.02	-78.57
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2=CC=NN2C)=N1	REAL300012035905	0	42	0.0	-80.91	361.94	5.90	-75.01
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC=C1OCC1CCCO1	REAL300012035906	0	51	0.0	-82.43	414.09	7.61	-74.82
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)N=C1	REAL300012035907	1	35	0.0	-75.53	310.20	8.09	-67.44
COC1=CSC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1OC	REAL300012035909	1	37	0.0	-73.57	329.18	5.03	-68.54
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CN=C(C(F)F)S3)C=C2)N=C1	REAL300012035910	0	41	0.0	-80.71	373.73	8.72	-71.99
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)N=C1	REAL300012035914	1	35	0.0	-76.40	319.66	8.04	-68.36
CC(C)OC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1F	REAL300012035915	0	42	0.0	-80.30	351.92	7.91	-72.39
O=C([O-])C1=CC=C(C[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)N=C1	REAL300012035917	1	38	0.0	-74.51	326.95	9.24	-65.27
CS(=O)(=O)C1=CSC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035918	1	35	0.0	-82.45	328.64	3.59	-78.86
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=NN1C1CCC1	REAL300012035919	1	42	0.0	-74.20	344.12	7.47	-66.73
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)N=C1	REAL300012035920	1	39	0.0	-81.81	351.97	8.71	-73.10
CC1=NN(C2CCCC2)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035921	1	45	0.0	-81.13	364.50	8.07	-73.06
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C=C2OC2CC2)N=C1	REAL300012035923	1	40	0.0	-72.98	356.84	8.64	-64.34
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035924	1	42	0.0	-77.39	355.83	7.68	-69.71
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)N=C1	REAL300012035925	1	35	0.0	-74.54	317.87	8.44	-66.10
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)N=C1	REAL300012035927	1	39	0.0	-82.95	341.65	8.26	-74.69
COC1=NC(C)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C)=C1Cl	REAL300012035929	1	41	0.0	-81.91	350.84	5.22	-76.69
CC1=NN(C2CCCCC2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035932	1	48	0.0	-76.24	380.72	8.63	-67.61
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3CCOCC3)N=C2)N=C1	REAL300012035933	1	43	0.0	-75.91	351.83	5.63	-70.28
CC1=NN(C2CCOCC2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035934	1	46	0.0	-76.88	372.24	6.16	-70.72
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC3=CC=CN=C32)N=C1	REAL300012035935	0	37	0.0	-70.16	337.50	8.11	-62.05
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)N=C1	REAL300012035939	0	47	0.0	-86.66	382.56	6.49	-80.17
CC1=NN(C2CCCC2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035940	1	45	0.0	-76.39	362.47	7.96	-68.43
CC1=CC(Br)=C(F)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035941	1	35	0.0	-72.96	322.95	8.30	-64.66
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C(Cl)=C2F)N=C1	REAL300012035942	1	32	0.0	-77.55	316.45	8.11	-69.44
CN1C=C(C2=CC=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=C2)C=N1	REAL300012035945	0	42	0.0	-78.33	356.53	8.28	-70.05
COC1=CC(F)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1Br	REAL300012035946	1	36	0.0	-75.50	331.88	6.98	-68.52
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)N=C1	REAL300012035947	1	42	0.0	-96.34	362.98	9.39	-86.95
CC1=CC=C(Br)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035948	0	35	0.0	-73.86	312.53	8.22	-65.64
COC1=NC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)C=C2S1	REAL300012035949	0	38	0.0	-83.02	340.82	4.80	-78.22
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NC(Br)=C2)N=C1	REAL300012035950	1	31	0.0	-82.13	292.75	5.71	-76.42
CC(C)(C)COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035952	0	48	0.0	-73.77	388.20	9.32	-64.45
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC(Cl)=C2F)N=C1	REAL300012035953	1	32	0.0	-77.26	319.45	8.12	-69.14
COC1=CC(Cl)=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035954	0	36	0.0	-76.85	322.65	6.79	-70.06
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(F)=C1F	REAL300012035956	1	36	0.0	-87.57	318.43	6.41	-81.16
CN1N=CC=C1C1=NNC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035957	0	39	0.0	-81.55	338.98	4.58	-76.97
COC(=O)C1=C(C)NC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1C	REAL300012035958	0	42	0.0	-84.58	360.09	6.67	-77.91
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=N3)=CC=C2C1	REAL300012035959	0	56	0.0	-79.78	442.30	10.18	-69.60
CC1=CC(Br)=CC(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035960	0	38	0.0	-75.96	330.87	8.66	-67.30
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3CCCCC3)C=C2)N=C1	REAL300012035963	0	48	0.0	-72.38	378.26	10.79	-61.59
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)SC(Br)=C1	REAL300012035964	0	32	0.0	-73.69	306.84	7.40	-66.29
CC1=NN(C2CCC2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035965	1	42	0.0	-76.80	344.16	7.36	-69.44
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=NN1CC(F)F	REAL300012035966	1	38	0.0	-75.98	330.54	6.39	-69.59
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)N=C1	REAL300012035967	1	40	0.0	-82.00	345.60	7.33	-74.67
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035970	1	39	0.0	-85.40	339.72	6.24	-79.16
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)N=C1	REAL300012035971	0	45	0.0	-73.79	379.20	11.45	-62.34
CCCCC(=O)NC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300012035973	0	48	0.0	-79.51	396.07	8.24	-71.27
CCN(C)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012035974	0	46	0.0	-70.91	364.53	8.96	-61.95
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)C(Cl)=CS2)N=C1	REAL300012035976	1	29	0.0	-73.43	297.85	7.02	-66.41
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035977	1	53	0.0	-74.48	406.51	9.20	-65.28
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)N=C1	REAL300012035979	0	36	0.0	-81.67	338.44	7.33	-74.34
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)N=C1	REAL300012035980	0	42	0.0	-78.83	364.99	9.81	-69.02
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)N=C1	REAL300012035981	0	41	0.0	-79.30	345.82	8.65	-70.65
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012035982	0	54	0.0	-76.80	435.28	11.89	-64.91
CC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1C(F)(F)F	REAL300012035983	0	38	0.0	-70.23	318.88	8.47	-61.76
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=NC=C(Br)C=C3O2)N=C1	REAL300012035985	1	34	0.0	-81.23	320.36	6.29	-74.94
O=C([O-])C1=CC=C(C[NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)N=C1	REAL300012035986	0	37	0.0	-80.32	342.16	7.34	-72.98
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC(Br)=CC=C3S2)N=C1	REAL300012035988	0	35	0.0	-75.86	335.16	9.14	-66.72
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=N1	REAL300012035990	1	37	0.0	-77.08	325.52	6.94	-70.14
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=C(Br)C=C2F)N=C1	REAL300012035992	1	32	0.0	-77.72	318.10	8.09	-69.63
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)N=C1	REAL300012035993	1	34	0.0	-89.09	325.92	8.27	-80.82
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035994	0	39	0.0	-78.15	336.91	8.90	-69.25
COC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=CC(Br)=C1F	REAL300012035995	1	36	0.0	-81.34	333.78	7.14	-74.20
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2F)N=C1	REAL300012035996	1	35	0.0	-80.25	319.89	8.01	-72.24
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)N=C1	REAL300012035997	0	38	0.0	-88.71	328.78	6.90	-81.81
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=CC2=CC=CC=C21	REAL300012035998	0	41	0.0	-75.18	333.85	9.68	-65.50
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012035999	1	50	0.0	-75.92	401.60	8.63	-67.29
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)N=C1	REAL300012036000	0	38	0.0	-78.75	340.96	9.76	-68.99
COC1=C2C=CNC2=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300012036001	1	40	0.0	-73.60	337.36	6.40	-67.20
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)N=C1	REAL300012036002	0	45	0.0	-75.19	364.01	3.99	-71.20
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)N=C1	REAL300012036004	1	49	0.0	-66.96	384.73	8.82	-58.14
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)N=C1	REAL300012036005	1	46	0.0	-73.39	390.04	10.50	-62.89
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C2=NC=CC=C2C=C1	REAL300012036006	0	40	0.0	-65.77	332.15	8.06	-57.71
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CN=C1N1C=CC=N1	REAL300012036007	1	41	0.0	-84.81	348.54	8.32	-76.49
COC(=O)C1=CN(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300012036008	1	39	0.0	-84.53	338.33	7.11	-77.42
COC1=CC=C(Br)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1O	REAL300012036009	1	37	0.0	-69.67	333.39	4.65	-65.02
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(C2CCC2)=N1	REAL300012036010	1	42	0.0	-77.54	347.61	7.41	-70.13
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CC=CN=C3C=C2)C=C1	REAL300012036011	0	42	0.0	-90.37	351.50	8.86	-81.51
CC(C)(C)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036012	0	49	0.0	-80.48	386.58	10.82	-69.66
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CNN=C2C2=CC=CC=C2)C=C1	REAL300012036013	0	44	0.0	-85.53	366.63	8.36	-77.17
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Br)O2)C=C1	REAL300012036014	0	34	0.0	-84.75	312.83	7.37	-77.38
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036015	0	47	0.0	-88.12	388.86	10.30	-77.82
N#CCCN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2=CC=CC=C2)=N1	REAL300012036016	0	51	0.0	-89.81	432.06	11.02	-78.79
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1OC(F)F	REAL300012036017	0	45	0.0	-89.87	378.88	7.97	-81.90
CCOC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1OC	REAL300012036018	0	48	0.0	-88.06	390.98	8.61	-79.45
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)C=C1	REAL300012036019	0	51	0.0	-75.58	420.24	11.85	-63.73
CCCCCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036020	0	53	0.0	-83.41	426.23	11.08	-72.33
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)C=C1	REAL300012036021	0	46	0.0	-91.36	398.82	11.05	-80.31
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)C=C1	REAL300012036022	0	46	0.0	-92.37	398.81	11.05	-81.32
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1Br	REAL300012036023	0	41	0.0	-86.56	360.30	8.46	-78.10
CC(C)OC1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036024	0	47	0.0	-75.50	378.26	9.42	-66.08
CCCCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300012036025	0	54	0.0	-87.64	433.98	10.19	-77.45
CCCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300012036026	0	51	0.0	-87.74	412.48	9.41	-78.33
C=CCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300012036027	0	49	0.0	-88.23	403.88	9.19	-79.04
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)C=C1	REAL300012036028	0	44	0.0	-85.37	387.35	10.90	-74.47
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)C=C1	REAL300012036029	0	44	0.0	-83.46	387.46	10.94	-72.52
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)C=C1	REAL300012036030	0	44	0.0	-84.26	394.95	11.79	-72.47
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)C=C1	REAL300012036031	0	47	0.0	-84.95	394.62	10.16	-74.79
CCC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2O1	REAL300012036032	0	46	0.0	-84.59	375.49	10.45	-74.14
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)C=C1	REAL300012036033	0	46	0.0	-87.98	394.71	11.67	-76.31
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)C=C1	REAL300012036034	0	43	0.0	-83.55	381.63	9.35	-74.20
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2OC(F)(F)F)C=C1	REAL300012036035	0	41	0.0	-79.31	354.98	8.36	-70.95
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(SC(F)(F)F)C=C2)C=C1	REAL300012036036	0	41	0.0	-87.14	366.78	9.96	-77.18
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C([N+](=O)[O-])C=C1O	REAL300012036037	0	44	0.0	-86.51	370.38	6.19	-80.32
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(Cl)=C1	REAL300012036038	0	41	0.0	-79.67	352.56	8.23	-71.44
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C=C1	REAL300012036039	0	41	0.0	-87.02	356.37	8.29	-78.73
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S2)C=C1	REAL300012036040	0	46	0.0	-91.18	406.40	11.94	-79.24
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)C=C1	REAL300012036041	0	46	0.0	-88.85	403.24	11.85	-77.00
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C=C1	REAL300012036042	0	44	0.0	-88.85	373.04	8.43	-80.42
CC1=CC=C(C2=NNC=C2C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036043	0	47	0.0	-83.93	388.13	9.02	-74.91
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CNN=C2C2=CC=CS2)C=C1	REAL300012036044	0	41	0.0	-81.54	354.12	7.62	-73.92
COC1=CC=C(C2=NNC=C2C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036045	0	48	0.0	-88.27	396.09	7.66	-80.61
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CSC3=CC=CC=C23)C=C1	REAL300012036046	0	40	0.0	-84.88	347.28	9.87	-75.01
CCOC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=NN1CC(C)C	REAL300012036047	0	56	0.0	-80.92	446.69	9.04	-71.88
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CC=CC=C3OC2)C=C1	REAL300012036048	0	43	0.0	-85.87	356.44	8.98	-76.89
CC1=CC=C(C2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)O2)C=C1	REAL300012036049	0	47	0.0	-84.09	392.03	11.06	-73.03
CC1=CC=C(C2=NNC=C2C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)O1	REAL300012036050	0	44	0.0	-81.94	371.45	7.61	-74.33
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CNN=C2C2=CC=CN=C2)C=C1	REAL300012036051	0	43	0.0	-88.55	361.31	6.60	-81.95
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)C=C1	REAL300012036052	0	50	0.0	-89.96	411.05	7.52	-82.44
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OCC3CCCO3)C=C2)C=C1	REAL300012036053	0	52	0.0	-86.51	418.70	9.10	-77.41
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Cl)S2)C=C1	REAL300012036054	0	34	0.0	-84.15	317.64	8.22	-75.93
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)C=C1	REAL300012036055	0	44	0.0	-84.81	384.63	11.34	-73.47
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC3=CC=CN=C32)C=C1	REAL300012036056	0	42	0.0	-75.86	350.15	9.03	-66.83
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)C=C1	REAL300012036057	0	50	0.0	-82.47	413.06	10.15	-72.32
COC1=NC2=CC=CC=C2C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036058	0	46	0.0	-86.05	381.24	7.50	-78.55
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C=C1	REAL300012036059	0	44	0.0	-89.82	368.73	9.70	-80.12
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C=C1	REAL300012036060	0	43	0.0	-92.60	363.67	11.02	-81.58
CC(C)N1N=CC2=CC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=C(Cl)N=C21	REAL300012036061	0	48	0.0	-90.43	409.21	9.60	-80.83
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)C=C1	REAL300012036062	0	44	0.0	-82.93	395.13	11.80	-71.13
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)C=C1	REAL300012036063	0	44	0.0	-83.86	387.58	11.45	-72.41
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(F)=CC=C2F)C=C1	REAL300012036064	0	37	0.0	-80.91	322.35	8.59	-72.32
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)C=C1	REAL300012036065	0	40	0.0	-81.76	360.96	9.97	-71.79
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(F)C=C2Cl)C=C1	REAL300012036066	0	37	0.0	-81.70	329.48	9.00	-72.70
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(F)C(Cl)=C2)C=C1	REAL300012036067	0	37	0.0	-89.69	332.97	9.05	-80.64
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)C=C1	REAL300012036068	0	40	0.0	-92.62	354.70	9.55	-83.07
CCOC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036069	0	44	0.0	-81.89	361.74	8.72	-73.17
CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300012036070	0	40	0.0	-85.53	337.10	9.20	-76.33
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Cl)=CC=C2Cl)C=C1	REAL300012036071	0	37	0.0	-78.80	339.81	9.45	-69.35
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(F)C=C2C(F)(F)F)C=C1	REAL300012036072	0	40	0.0	-85.91	345.31	9.62	-76.29
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(F)=C(F)C(F)=C2)C=C1	REAL300012036073	0	37	0.0	-96.24	329.38	8.68	-87.56
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)C=C1	REAL300012036074	0	40	0.0	-90.32	355.51	9.55	-80.77
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(C(F)(F)F)=CC=C2F)C=C1	REAL300012036075	0	40	0.0	-83.06	353.63	9.53	-73.53
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(Cl)=C1OC	REAL300012036076	0	45	0.0	-82.84	384.99	8.28	-74.56
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CC=CC=C3S2)C=C1	REAL300012036077	0	40	0.0	-83.47	347.76	10.04	-73.43
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Cl)C(F)=C2)C=C1	REAL300012036078	0	37	0.0	-89.82	332.97	9.06	-80.76
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Cl)=CC=C2OC(F)F)C=C1	REAL300012036079	0	41	0.0	-84.10	365.01	8.65	-75.45
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C=C1	REAL300012036080	0	44	0.0	-84.30	394.95	11.78	-72.52
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)C=C1	REAL300012036081	0	47	0.0	-92.24	392.87	7.01	-85.23
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CN=C2Cl)C=C1	REAL300012036082	0	36	0.0	-84.01	317.33	7.12	-76.89
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1OCC(F)(F)F	REAL300012036083	0	48	0.0	-91.41	410.55	9.07	-82.34
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C=C1	REAL300012036084	0	50	0.0	-87.18	416.53	10.01	-77.17
CC(C)C1=NN(C)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036085	0	46	0.0	-85.04	375.59	8.14	-76.90
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036086	0	46	0.0	-82.32	390.48	8.44	-73.88
COCCOC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036087	0	48	0.0	-83.06	395.36	7.99	-75.07
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300012036088	0	41	0.0	-86.72	355.91	8.34	-78.38
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C=C1	REAL300012036089	0	42	0.0	-84.25	370.64	7.42	-76.83
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036090	0	49	0.0	-88.76	391.76	10.06	-78.70
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300012036091	0	53	0.0	-92.16	428.49	8.42	-83.74
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C=C1	REAL300012036092	0	44	0.0	-84.28	381.31	9.18	-75.10
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC3=C2OCCO3)C=C1	REAL300012036093	0	43	0.0	-80.07	353.30	7.70	-72.37
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC3=C2OCCCO3)C=C1	REAL300012036094	0	46	0.0	-82.27	370.20	8.51	-73.76
CCCN1C2=CC=CC=C2N=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036095	0	49	0.0	-87.89	396.22	10.57	-77.32
CCCOC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036096	0	47	0.0	-82.44	383.23	9.52	-72.92
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C=C1	REAL300012036097	0	44	0.0	-83.52	376.42	11.08	-72.44
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(OC3CCCC3)=C2)C=C1	REAL300012036098	0	51	0.0	-81.38	404.47	10.69	-70.69
CC(C)OC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036099	0	47	0.0	-81.54	379.66	9.34	-72.20
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012036100	0	50	0.0	-81.82	419.26	10.51	-71.31
CC1=CC=C(C2=NC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CS2)C=C1	REAL300012036101	0	46	0.0	-81.77	396.63	9.96	-71.81
CC(C)C1=NC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300012036102	0	42	0.0	-79.27	358.14	7.53	-71.74
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C=C1	REAL300012036103	0	51	0.0	-84.62	425.37	11.94	-72.68
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)C=C1	REAL300012036104	1	47	0.0	-83.50	406.81	8.81	-74.69
CC1=CC=C(OCC2=NC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CS2)C=C1	REAL300012036105	1	50	0.0	-83.54	428.22	9.49	-74.05
CC(C)(C)C1=NC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300012036106	0	45	0.0	-78.97	377.08	8.04	-70.93
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CSC(C3=CSC=C3)=N2)C=C1	REAL300012036107	0	40	0.0	-81.62	366.26	8.22	-73.40
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C=C1	REAL300012036108	0	44	0.0	-85.23	384.64	11.34	-73.89
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036109	0	51	0.0	-76.85	416.76	9.37	-67.48
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2OC2CCCC2)C=C1	REAL300012036110	0	51	0.0	-75.85	404.09	10.76	-65.09
CC1=CC=C(C2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)S2)C=C1	REAL300012036111	0	47	0.0	-83.00	399.62	11.95	-71.05
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C=C1	REAL300012036112	0	43	0.0	-93.08	376.48	8.80	-84.28
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036113	0	41	0.0	-83.33	372.62	8.93	-74.40
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Br)=CC=C2Cl)C=C1	REAL300012036114	0	37	0.0	-78.78	344.38	9.55	-69.23
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Cl)=CC=C2Br)C=C1	REAL300012036115	0	37	0.0	-78.17	343.39	9.56	-68.61
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)C=C1	REAL300012036116	0	48	0.0	-85.62	411.90	11.49	-74.13
CCOC1=C(OC)C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300012036117	0	52	0.0	-92.59	424.14	8.55	-84.04
COCCCOC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036118	0	51	0.0	-84.13	416.90	8.59	-75.54
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CN=C1Cl	REAL300012036119	0	39	0.0	-90.25	340.88	7.72	-82.53
COC1=CC=C(OC(F)F)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036120	0	45	0.0	-82.85	377.74	7.41	-75.44
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(Cl)C=CC=C2OC(F)F)C=C1	REAL300012036121	0	41	0.0	-76.96	362.34	8.54	-68.42
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1OC1=CC=CN=C1	REAL300012036122	0	50	0.0	-88.62	413.53	10.20	-78.42
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2OCC(=O)NCC2CC2)C=C1	REAL300012036123	0	55	0.0	-76.71	452.03	9.78	-66.93
CC1=CC=C(C2=NC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)S2)C=C1	REAL300012036124	0	46	0.0	-84.80	396.80	10.19	-74.61
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C=C1	REAL300012036125	0	42	0.0	-77.55	366.85	9.54	-68.01
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(F)C3=CC=CN=C23)C=C1	REAL300012036126	0	42	0.0	-80.55	355.76	9.07	-71.48
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(F)=CC3=CC=CN=C32)C=C1	REAL300012036127	0	42	0.0	-78.69	356.54	9.10	-69.59
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C=C1	REAL300012036128	0	42	0.0	-79.79	364.60	9.46	-70.33
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)C=C1	REAL300012036129	0	44	0.0	-85.15	385.11	10.55	-74.60
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)O1	REAL300012036130	0	47	0.0	-85.67	397.57	11.13	-74.54
CCC1=CC=C(C2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)O2)C=C1	REAL300012036131	0	50	0.0	-83.92	413.51	11.82	-72.10
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(OC(F)F)=C1	REAL300012036132	0	45	0.0	-85.45	377.74	7.43	-78.02
COC1=CC=C2OC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CC2=C1	REAL300012036133	0	44	0.0	-87.33	367.73	8.30	-79.03
O=C([O-])C1=CC=C(OCC[NH2+]CC=CC2=CC=C(Cl)C=C2)C=C1	REAL300012036134	0	41	0.0	-84.69	358.15	10.32	-74.37
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2O1	REAL300012036135	0	43	0.0	-85.51	359.32	9.67	-75.84
O=C([O-])C1=CC=C(OCC[NH2+]CC2=COC3=CC=CC=C23)C=C1	REAL300012036136	0	40	0.0	-85.11	338.29	8.87	-76.24
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C=C1	REAL300012036137	0	45	0.0	-87.45	377.14	10.25	-77.20
CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1Br	REAL300012036138	0	40	0.0	-84.30	349.87	9.68	-74.62
O=C([O-])C1=CC=C(OCC[NH2+]CC=CC2=CC=C(F)C=C2F)C=C1	REAL300012036139	0	41	0.0	-85.70	353.34	9.90	-75.80
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1Br	REAL300012036140	0	40	0.0	-85.62	349.88	9.68	-75.94
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C=C1	REAL300012036141	0	44	0.0	-83.34	369.27	9.62	-73.72
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(Cl)SC=C2)C=C1	REAL300012036142	0	34	0.0	-78.85	314.61	8.04	-70.81
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Cl)=CC3=C2OCC3)C=C1	REAL300012036143	0	42	0.0	-79.09	362.88	8.85	-70.24
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=C(F)C=CC=C3N2)C=C1	REAL300012036144	0	41	0.0	-89.68	348.77	8.51	-81.17
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CC=C(F)C=C3N2)C=C1	REAL300012036145	0	41	0.0	-89.90	348.67	8.51	-81.39
CCOC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300012036146	0	43	0.0	-83.52	359.40	6.09	-77.43
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC2=CC=CN=C12	REAL300012036147	0	45	0.0	-89.81	371.62	9.69	-80.12
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300012036148	0	40	0.0	-85.53	345.85	9.59	-75.94
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C3C=CSC3=C2)C=C1	REAL300012036149	0	39	0.0	-89.01	342.25	7.97	-81.04
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)O2)C=C1	REAL300012036150	0	56	0.0	-83.64	446.74	12.70	-70.94
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036151	0	57	0.0	-77.09	436.16	11.77	-65.32
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036152	0	57	0.0	-80.06	452.81	11.61	-68.45
CCCC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036153	0	46	0.0	-80.93	374.76	10.71	-70.22
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036154	0	55	0.0	-85.19	445.19	13.26	-71.93
CCN(CC)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300012036155	0	51	0.0	-86.56	410.84	9.66	-76.90
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C(SC)C=C1OC	REAL300012036156	0	49	0.0	-81.58	404.73	8.63	-72.95
COC1=CC=C2N=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)SC2=C1	REAL300012036157	0	43	0.0	-84.58	372.03	7.31	-77.27
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036158	0	43	0.0	-88.81	373.52	9.35	-79.46
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1C#N	REAL300012036159	0	42	0.0	-94.58	360.09	8.21	-86.37
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(SC(F)F)C=C2)C=C1	REAL300012036160	0	41	0.0	-85.92	360.20	9.76	-76.16
CC1=CC(Cl)=CC(C)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036161	0	43	0.0	-84.77	360.27	10.07	-74.70
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C=C1	REAL300012036162	0	41	0.0	-90.21	355.86	8.14	-82.07
CCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)N=C1	REAL300012036163	0	43	0.0	-82.58	356.79	6.87	-75.71
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036164	0	43	0.0	-87.74	364.24	10.15	-77.59
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1OC	REAL300012036165	0	45	0.0	-91.04	389.08	8.33	-82.71
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OCC(C)C	REAL300012036166	0	54	0.0	-87.74	432.58	10.09	-77.65
CCCOC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1OC	REAL300012036167	0	51	0.0	-88.01	412.48	9.41	-78.60
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Br)S2)C=C1	REAL300012036168	0	34	0.0	-84.29	322.28	8.32	-75.97
CCOC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC(Cl)=C1OC	REAL300012036169	0	48	0.0	-91.01	410.94	9.25	-81.76
C=CCOC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036170	0	45	0.0	-82.04	374.64	9.31	-72.73
COC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1OC(C)C	REAL300012036171	0	51	0.0	-80.17	408.40	9.53	-70.64
CCOC1=C(Cl)C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300012036172	0	48	0.0	-90.94	410.94	9.28	-81.66
CCCOC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=CC=C1OCC	REAL300012036173	0	54	0.0	-81.25	435.30	10.49	-70.76
CCCCOC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1OC	REAL300012036174	0	54	0.0	-88.19	433.98	10.19	-78.00
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OC(F)F	REAL300012036175	0	45	0.0	-86.23	378.88	7.98	-78.25
CCOC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1OC(F)F	REAL300012036176	0	48	0.0	-89.42	400.74	8.89	-80.53
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC(C)=C1OC(F)F	REAL300012036177	0	47	0.0	-86.19	387.69	9.48	-76.71
CCOC1=CC2=C(C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1)OC(C)C2	REAL300012036178	0	52	0.0	-77.98	417.45	9.38	-68.60
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC2=C1OCCO2	REAL300012036179	0	47	0.0	-90.25	384.07	7.52	-82.73
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C=C1	REAL300012036180	0	46	0.0	-90.30	404.86	9.92	-80.38
CCCCN1N=C(C)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1Cl	REAL300012036181	0	49	0.0	-80.74	413.33	9.54	-71.20
CCOC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1OC(F)F	REAL300012036182	0	48	0.0	-81.35	399.30	9.07	-72.28
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2OCC(=O)N2CCCC2)C=C1	REAL300012036183	0	55	0.0	-76.58	444.66	10.65	-65.93
CC1=CC(C)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300012036184	0	46	0.0	-80.03	363.63	10.31	-69.72
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C=C1	REAL300012036185	0	44	0.0	-83.06	378.23	11.27	-71.79
CCCOC1=C(Cl)C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300012036186	0	51	0.0	-90.74	432.44	10.08	-80.66
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)C=C1	REAL300012036187	0	44	0.0	-87.07	385.33	10.56	-76.51
CC(C)(C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300012036188	0	46	0.0	-81.19	358.45	10.20	-70.99
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2CCCCC2)=N1	REAL300012036189	0	53	0.0	-86.20	417.21	10.04	-76.16
CC(CCC1=CC=CC=C1)C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036190	0	49	0.0	-79.69	389.39	11.37	-68.32
CCC1CCCC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300012036191	0	49	0.0	-79.13	370.45	10.08	-69.05
CC1(C)CCC2=C(C1)SC(C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1)=N2	REAL300012036192	0	49	0.0	-79.40	394.67	9.15	-70.25
CCC1=CC=CC(Cl)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036193	0	43	0.0	-77.20	359.89	10.14	-67.06
CC1=C(C)C=C2OC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CC2=C1	REAL300012036194	0	46	0.0	-85.30	376.56	10.22	-75.08
CCCC1CCC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300012036195	0	52	0.0	-79.03	391.95	10.83	-68.20
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)C=C1	REAL300012036196	0	44	0.0	-87.99	383.36	8.88	-79.11
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C=C1	REAL300012036197	0	44	0.0	-91.44	366.33	10.88	-80.56
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C=C1	REAL300012036198	0	44	0.0	-84.55	379.02	10.50	-74.05
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Cl)=C3OCCOC3=C2)C=C1	REAL300012036199	0	43	0.0	-88.72	370.85	8.18	-80.54
CCCCC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2O1	REAL300012036200	0	52	0.0	-85.33	418.49	12.00	-73.33
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C=C1	REAL300012036201	0	50	0.0	-94.01	417.28	13.16	-80.85
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036202	0	50	0.0	-88.71	414.18	10.67	-78.04
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)C=C1	REAL300012036203	0	46	0.0	-90.55	389.28	8.98	-81.57
COC1=CC=C(C)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036204	0	44	0.0	-75.96	359.93	8.52	-67.44
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300012036205	0	41	0.0	-88.84	346.11	7.87	-80.97
O=C([O-])C1=CC=C(OCC[NH2+]CC2CCC(C(F)(F)F)CC2)C=C1	REAL300012036206	0	46	0.0	-82.89	361.74	9.50	-73.39
CC(C)C1CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300012036207	0	50	0.0	-82.57	381.49	8.54	-74.03
CC1(C)CCC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300012036208	0	49	0.0	-79.69	365.36	9.70	-69.99
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)C=C1	REAL300012036209	0	44	0.0	-92.73	387.53	9.26	-83.47
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)C=C1	REAL300012036210	1	43	0.0	-91.12	386.79	9.09	-82.03
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C=C1	REAL300012036211	1	43	0.0	-89.99	385.87	8.89	-81.10
CCSC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036212	0	44	0.0	-81.88	372.06	10.35	-71.53
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(O)C=CC(Cl)=C2F)C=C1	REAL300012036213	1	38	0.0	-80.93	341.55	6.23	-74.70
COC1(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)CCCCC1	REAL300012036214	0	47	0.0	-79.57	353.64	7.86	-71.71
CCN1N=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300012036215	0	46	0.0	-84.17	382.13	9.28	-74.89
COCCC1(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)CCCCC1	REAL300012036216	0	53	0.0	-80.11	389.09	8.71	-71.40
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Br)=C(Cl)S2)C=C1	REAL300012036217	0	34	0.0	-86.63	338.10	8.80	-77.83
CCCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036218	0	47	0.0	-83.59	383.23	9.52	-74.07
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036219	0	50	0.0	-81.62	429.23	10.97	-70.65
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CC=CC=C3O2)C=C1	REAL300012036220	0	40	0.0	-85.27	338.26	9.02	-76.25
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C=C1	REAL300012036221	0	44	0.0	-84.12	370.63	10.38	-73.74
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1OC(C)C	REAL300012036222	0	51	0.0	-87.66	408.90	9.23	-78.43
CCCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OCC	REAL300012036223	0	54	0.0	-87.97	434.33	10.33	-77.64
CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300012036224	0	42	0.0	-93.50	354.59	9.69	-83.81
CC(C)OC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036225	0	47	0.0	-83.87	379.66	9.34	-74.53
CCCCCCCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036226	0	59	0.0	-83.23	469.23	12.64	-70.59
CC(C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012036227	0	58	0.0	-80.69	443.30	12.86	-67.83
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1F	REAL300012036228	0	40	0.0	-86.89	337.10	9.19	-77.70
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C3NC=CC3=CC=C2)C=C1	REAL300012036229	0	41	0.0	-84.22	341.74	8.50	-75.72
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(Br)C=CS2)C=C1	REAL300012036230	0	34	0.0	-76.46	320.06	8.13	-68.33
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2N2CCOCC2)C=C1	REAL300012036231	0	50	0.0	-79.74	394.94	8.06	-71.68
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(F)=CC=C2Br)C=C1	REAL300012036232	0	37	0.0	-78.89	333.07	9.11	-69.78
CC(C)CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036233	0	49	0.0	-80.37	391.57	11.18	-69.19
CC1=CC=C(C2=CC=CC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=C2)C=C1	REAL300012036234	0	50	0.0	-84.52	406.00	12.58	-71.94
COC1=CC=C(Br)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036235	0	41	0.0	-78.02	355.28	8.38	-69.64
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300012036236	0	43	0.0	-100.26	365.90	9.23	-91.03
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C=C1	REAL300012036237	0	37	0.0	-86.86	343.84	9.50	-77.36
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(F)=CC(Cl)=C2)C=C1	REAL300012036238	0	37	0.0	-87.87	333.52	9.07	-78.80
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Br)=CO2)C=C1	REAL300012036239	0	34	0.0	-83.97	312.84	7.27	-76.70
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036240	0	50	0.0	-83.24	406.44	12.57	-70.67
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(OC(F)F)=C2)C=C1	REAL300012036241	0	41	0.0	-86.43	349.64	8.07	-78.36
CCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OCC	REAL300012036242	0	51	0.0	-88.18	412.84	9.53	-78.65
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Cl)C=C2F)C=C1	REAL300012036243	0	37	0.0	-82.25	332.67	9.04	-73.21
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C=C1	REAL300012036244	0	40	0.0	-91.47	362.28	9.91	-81.56
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(F)C=C2Br)C=C1	REAL300012036245	0	37	0.0	-81.15	333.07	9.11	-72.04
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300012036246	0	41	0.0	-86.24	356.38	8.29	-77.95
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Cl)=CC=C2F)C=C1	REAL300012036247	0	37	0.0	-80.14	332.68	9.03	-71.11
COC1=CC=CC=C1C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036248	0	51	0.0	-84.53	418.59	11.56	-72.97
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(F)=CC(F)=C2)C=C1	REAL300012036249	0	37	0.0	-88.84	323.20	8.63	-80.21
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(Cl)=C2F)C=C1	REAL300012036250	0	37	0.0	-82.05	332.13	9.02	-73.03
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300012036251	0	47	0.0	-86.36	379.70	9.98	-76.38
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C=C1	REAL300012036252	0	44	0.0	-85.75	368.52	8.42	-77.33
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NNC=C2C2=CC=CC=C2)C=C1	REAL300012036252	1	44	0.0	-78.48	367.76	8.42	-70.06
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(F)=C2F)C=C1	REAL300012036253	0	37	0.0	-83.10	322.24	8.59	-74.51
CN1C2=CC=CC=C2N=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036254	0	43	0.0	-87.12	356.79	8.84	-78.28
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300012036255	0	40	0.0	-88.17	337.42	5.19	-82.98
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(Br)=C1O	REAL300012036256	0	42	0.0	-81.99	365.97	6.21	-75.78
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C3OCCC3=C2)C=C1	REAL300012036257	0	42	0.0	-85.97	346.27	8.34	-77.63
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CSC(Br)=C2)C=C1	REAL300012036258	0	34	0.0	-84.15	322.03	8.17	-75.98
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C=C1	REAL300012036259	0	47	0.0	-84.60	384.59	11.90	-72.70
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C=C1	REAL300012036260	0	50	0.0	-77.95	415.08	10.06	-67.89
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(N3CCCC3)N=C2)C=C1	REAL300012036261	0	48	0.0	-86.45	384.30	8.40	-78.05
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C3C=CNC3=CC=C2)C=C1	REAL300012036262	0	41	0.0	-80.23	341.55	8.51	-71.72
CC1=CC(F)=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036263	0	40	0.0	-85.93	331.57	9.19	-76.74
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Br)C(F)=C2)C=C1	REAL300012036264	0	37	0.0	-90.01	337.39	9.16	-80.85
CC1=NC(C)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036265	0	39	0.0	-83.33	336.23	6.96	-76.37
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C=C1	REAL300012036266	0	46	0.0	-83.26	382.10	10.37	-72.89
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C=C1	REAL300012036267	0	46	0.0	-85.93	379.61	10.14	-75.79
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C=C1	REAL300012036268	0	46	0.0	-88.23	379.80	10.15	-78.08
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036269	0	52	0.0	-84.46	404.37	9.04	-75.42
CN1CCN(C2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=C2)CC1	REAL300012036270	1	54	0.0	-82.49	419.60	7.20	-75.29
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C=C1	REAL300012036271	0	46	0.0	-89.22	391.71	6.99	-82.23
CNC(=O)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036272	0	44	0.0	-92.90	366.85	6.78	-86.12
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C=C1	REAL300012036273	0	44	0.0	-89.16	375.62	9.77	-79.39
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036274	0	50	0.0	-88.16	424.50	11.12	-77.04
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C=C1	REAL300012036275	0	44	0.0	-88.60	385.94	10.23	-78.37
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C=C1	REAL300012036276	0	44	0.0	-86.93	381.30	9.18	-77.75
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CC=CC=C3C=C2)C=C1	REAL300012036277	0	43	0.0	-84.25	356.49	10.75	-73.50
COC1=C2OC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CC2=CC=C1	REAL300012036278	0	44	0.0	-87.50	367.75	8.31	-79.19
CC(C)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300012036279	0	48	0.0	-93.77	395.46	11.00	-82.77
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Br)=C3OCOC3=C2)C=C1	REAL300012036280	0	40	0.0	-91.33	357.74	7.77	-83.56
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036281	0	53	0.0	-85.12	432.61	11.10	-74.02
CCOC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1OCC(C)C	REAL300012036282	0	57	0.0	-87.61	454.44	11.01	-76.60
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Br)=CC=C2F)C=C1	REAL300012036283	0	37	0.0	-80.22	337.24	9.14	-71.08
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Br)C=C2F)C=C1	REAL300012036284	0	37	0.0	-82.49	337.24	9.15	-73.34
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC(OC)=C1	REAL300012036285	0	45	0.0	-83.36	369.38	7.10	-76.26
COC1=CC2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=C2C=C1	REAL300012036286	0	47	0.0	-87.91	385.84	10.05	-77.86
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Br)=CS2)C=C1	REAL300012036288	0	34	0.0	-82.53	322.07	8.22	-74.31
CCCCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OCC	REAL300012036289	0	57	0.0	-87.77	455.83	11.11	-76.66
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036290	0	50	0.0	-88.15	405.71	10.57	-77.58
COC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1OC(F)F	REAL300012036291	0	45	0.0	-80.52	377.36	8.07	-72.45
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(CSC(F)F)O2)C=C1	REAL300012036292	0	41	0.0	-84.94	370.91	9.08	-75.86
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CC=CC=C3NC2=O)C=C1	REAL300012036293	0	43	0.0	-84.52	360.73	7.54	-76.98
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(F)C(Br)=C2)C=C1	REAL300012036295	0	37	0.0	-89.58	337.39	9.15	-80.43
CC1=CC=C(COC2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=C2)C=C1	REAL300012036296	0	54	0.0	-84.98	443.05	12.46	-72.52
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(N3CCCCC3)C=C2)C=C1	REAL300012036297	0	52	0.0	-81.47	403.31	9.78	-71.69
CCCCCCOC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036298	0	56	0.0	-82.14	447.73	11.86	-70.28
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1SC	REAL300012036299	0	45	0.0	-88.17	379.29	8.84	-79.33
N#CCCCOC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036300	0	48	0.0	-89.20	404.09	10.04	-79.16
CCCCCOC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1OC	REAL300012036301	0	57	0.0	-88.11	455.48	10.97	-77.14
CCC(C)OC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1OC	REAL300012036302	0	54	0.0	-88.03	429.66	10.03	-78.00
CCCCCCCOC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036303	0	59	0.0	-82.05	469.23	12.64	-69.41
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OCCCC#N	REAL300012036304	0	52	0.0	-98.48	433.33	9.93	-88.55
C=C(C)COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1OC	REAL300012036305	0	52	0.0	-89.09	423.26	9.97	-79.12
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OCCC(C)C	REAL300012036306	0	57	0.0	-88.22	451.54	10.72	-77.50
C=CCC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC(OC)=C1O	REAL300012036307	0	49	0.0	-88.51	405.25	7.64	-80.87
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C=C1	REAL300012036308	0	44	0.0	-91.27	369.78	8.43	-82.84
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036309	0	46	0.0	-87.38	388.58	9.45	-77.93
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036310	0	47	0.0	-83.68	407.79	7.01	-76.67
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C=C1	REAL300012036311	1	43	0.0	-89.42	363.28	8.32	-81.10
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C=C1	REAL300012036312	0	43	0.0	-82.63	373.53	9.27	-73.36
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)C=C1	REAL300012036313	0	50	0.0	-88.43	404.43	7.63	-80.80
CN1C=NC2=CC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300012036314	0	43	0.0	-86.37	358.77	9.84	-76.53
CCN1N=C(C)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300012036315	0	46	0.0	-84.15	374.08	8.14	-76.01
C=CCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300012036316	0	45	0.0	-87.01	390.67	9.85	-77.16
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C=C1	REAL300012036317	0	43	0.0	-84.97	375.41	9.52	-75.45
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C2OC(C)CC2=C1	REAL300012036318	0	49	0.0	-79.19	396.80	8.37	-70.82
CC1(C)CC2=CC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CC=C2O1	REAL300012036319	0	48	0.0	-85.56	387.80	9.74	-75.82
O=C([O-])C1=CC=C(OCC[NH2+]CC2=COC(C3=CC=CC=C3)=N2)C=C1	REAL300012036320	0	43	0.0	-84.39	367.04	6.93	-77.46
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CSC(C3=CC=CS3)=N2)C=C1	REAL300012036321	0	40	0.0	-82.08	366.85	8.32	-73.76
CC1=CC=CC(C2=NNC=C2C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036322	0	47	0.0	-83.91	387.80	9.02	-74.89
CC1=CC=C(F)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036323	0	40	0.0	-79.28	336.30	9.20	-70.08
CC1=CC=C(F)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036324	0	40	0.0	-84.37	331.61	9.18	-75.19
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)C=C1	REAL300012036325	0	40	0.0	-89.36	365.84	9.99	-79.37
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Br)C=C2Cl)C=C1	REAL300012036326	0	37	0.0	-81.04	344.37	9.55	-71.49
CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(Br)=C1	REAL300012036327	0	40	0.0	-76.12	348.07	9.71	-66.41
CC(C)COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036328	0	50	0.0	-83.32	403.34	10.22	-73.10
COCCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036329	0	48	0.0	-85.49	395.36	7.99	-77.50
CC1(C)CCCC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300012036330	0	49	0.0	-79.53	365.36	9.71	-69.82
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C=C1	REAL300012036331	0	41	0.0	-88.47	365.66	8.62	-79.85
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)C=C1	REAL300012036332	0	45	0.0	-89.42	403.42	9.95	-79.47
CN1N=C(C2=CC=CC=C2)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1Cl	REAL300012036333	0	47	0.0	-80.30	404.75	9.98	-70.32
CC1=CCCC(C)C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036334	0	47	0.0	-77.57	354.12	9.80	-67.77
COC1=CC2=C(C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1)OCO2	REAL300012036335	0	44	0.0	-82.70	364.54	6.52	-76.18
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=CC3=CC=CC=C32)C=C1	REAL300012036336	0	42	0.0	-85.24	346.79	8.86	-76.38
CC(C)COC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036337	0	50	0.0	-81.54	403.34	10.22	-71.32
CC1=CC(Cl)=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036338	0	40	0.0	-84.74	341.90	9.64	-75.10
O=C([O-])C1=CC=C(OCC[NH2+]CC=CC2=CC=C(F)C=C2)C=C1	REAL300012036339	0	41	0.0	-85.63	347.83	9.86	-75.77
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Cl)N=C2)C=C1	REAL300012036340	0	36	0.0	-91.00	322.09	7.13	-83.87
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=CC(Br)=C2)C=C1	REAL300012036341	0	36	0.0	-87.66	326.54	7.31	-80.35
CN1N=NC2=CC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300012036342	0	42	0.0	-93.48	354.36	6.94	-86.54
CC1(C)CC2=CC=CC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=C2O1	REAL300012036343	0	48	0.0	-76.13	387.68	9.71	-66.42
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Br)=CC3=C2OCC3)C=C1	REAL300012036344	0	42	0.0	-79.06	367.44	8.95	-70.11
COC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300012036345	0	40	0.0	-83.57	337.55	5.16	-78.41
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2=CC=CC=C2)=N1	REAL300012036346	0	47	0.0	-85.36	389.70	9.67	-75.69
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C=C1	REAL300012036347	0	44	0.0	-84.10	368.74	9.69	-74.41
CC(C)N1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300012036348	0	43	0.0	-84.05	353.40	7.69	-76.36
CC1=C(Br)SC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036349	0	37	0.0	-84.43	341.87	8.93	-75.50
CC1=NC2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=C2C=C1	REAL300012036350	0	45	0.0	-90.65	373.08	9.47	-81.18
COC1=CC=C(OC2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=C2)C=C1	REAL300012036351	0	52	0.0	-89.06	428.59	10.63	-78.43
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NC=CC=C2C(F)(F)F)C=C1	REAL300012036352	0	39	0.0	-75.24	334.29	7.57	-67.67
CC1=CC(C)=CC(C2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=C2)=C1	REAL300012036353	0	53	0.0	-84.42	427.40	13.23	-71.19
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1N1C=NC=N1	REAL300012036354	0	46	0.0	-93.23	384.76	12.03	-81.20
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CC(F)=CC=C3O2)C=C1	REAL300012036355	0	40	0.0	-87.94	344.67	9.09	-78.85
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OCC(F)F)C=C2)C=C1	REAL300012036356	0	44	0.0	-88.26	374.75	9.04	-79.22
COCC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036357	0	44	0.0	-82.76	365.44	8.22	-74.54
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036358	0	47	0.0	-89.13	405.52	10.82	-78.31
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C=C1	REAL300012036359	0	51	0.0	-83.76	428.06	11.84	-71.92
CCCCOC1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036360	0	50	0.0	-75.76	403.33	10.37	-65.39
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C=C1	REAL300012036361	0	48	0.0	-87.56	410.97	12.59	-74.97
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C(OC(F)F)C=C1C	REAL300012036362	0	47	0.0	-81.60	387.35	9.36	-72.24
COC1=CC(C)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300012036363	0	48	0.0	-87.37	383.91	8.30	-79.07
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036364	0	43	0.0	-91.87	374.44	9.38	-82.49
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036365	1	43	0.0	-81.58	372.00	6.57	-75.01
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036366	0	46	0.0	-82.32	393.26	8.19	-74.13
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CNN=C2C2=CSC=C2)C=C1	REAL300012036367	0	41	0.0	-85.43	357.23	7.36	-78.07
CSC1=CC(Br)=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036368	0	41	0.0	-79.52	367.38	10.04	-69.48
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)C=C1	REAL300012036369	0	47	0.0	-88.33	401.04	10.23	-78.10
CC1CCC2=C(C1)SC(C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1)=N2	REAL300012036370	0	46	0.0	-79.54	379.69	8.85	-70.69
CC(C)(C)C1CCC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300012036371	0	55	0.0	-79.78	393.17	10.57	-69.21
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036372	0	51	0.0	-79.14	412.70	11.26	-67.88
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036373	0	51	0.0	-79.53	412.63	11.27	-68.26
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036374	0	50	0.0	-83.25	407.84	9.52	-73.73
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OCC3CC3)C=C2)C=C1	REAL300012036375	0	48	0.0	-83.88	393.41	10.30	-73.58
COC1=CC(Cl)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300012036376	0	41	0.0	-81.50	368.58	8.79	-72.71
CC(C)CC1=NC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036377	0	45	0.0	-82.48	378.22	8.68	-73.80
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3=CC=CS3)S2)C=C1	REAL300012036378	0	40	0.0	-85.13	367.28	8.59	-76.54
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3=CSC=C3)S2)C=C1	REAL300012036379	0	40	0.0	-84.85	366.54	8.46	-76.39
CC1=CC=C(C2=NC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)S2)O1	REAL300012036380	0	43	0.0	-87.26	380.09	8.42	-78.84
CC1=CC(Br)=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036381	0	40	0.0	-84.92	346.47	9.74	-75.18
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Cl)C(Br)=C2)C=C1	REAL300012036382	0	37	0.0	-88.42	346.51	9.57	-78.85
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CNN=C2C2=CC=CC=C2F)C=C1	REAL300012036383	0	44	0.0	-88.05	373.19	8.44	-79.61
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)C=C1	REAL300012036384	0	46	0.0	-86.36	384.25	10.20	-76.16
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(Cl)OC3=CC=CC=C32)C=C1	REAL300012036385	0	40	0.0	-83.31	354.50	9.45	-73.86
COCCOC1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036386	0	48	0.0	-75.90	393.96	8.05	-67.85
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Cl)C=C2Br)C=C1	REAL300012036387	0	37	0.0	-80.33	343.40	9.56	-70.77
COC1=C(Br)C=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036388	0	41	0.0	-81.56	360.36	8.55	-73.01
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NC3=C(CCC3)S2)C=C1	REAL300012036389	0	40	0.0	-80.31	341.01	7.66	-72.65
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2=CC=CS2)=N1	REAL300012036390	0	44	0.0	-81.22	377.08	8.94	-72.28
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COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036394	0	41	0.0	-83.82	339.88	7.79	-76.03
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CC(C)(C)C1=NC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036396	0	45	0.0	-82.41	377.22	8.29	-74.12
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CN(C)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036408	0	45	0.0	-80.40	362.89	8.92	-71.48
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COC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1OC	REAL300012036415	0	45	0.0	-79.95	369.16	7.76	-72.19
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COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(OC)=C1	REAL300012036419	0	45	0.0	-78.92	367.98	7.16	-71.76
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CCCCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036426	0	50	0.0	-83.57	404.73	10.30	-73.27
CC(C)CCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036427	0	53	0.0	-83.46	422.30	10.82	-72.64
CCCCCCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036428	0	56	0.0	-83.29	447.73	11.86	-71.43
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)C=C1	REAL300012036429	0	48	0.0	-85.13	399.07	11.33	-73.80
CCCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(OCCC)=C1	REAL300012036430	0	57	0.0	-78.40	454.70	10.61	-67.79
COC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036431	0	41	0.0	-82.05	339.88	7.79	-74.26
CC(=CC1=CC=CC=C1)C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036432	0	44	0.0	-81.92	358.04	10.27	-71.65
CCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300012036433	0	48	0.0	-87.92	390.98	8.61	-79.31
CC(C)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036434	0	46	0.0	-80.53	370.60	10.42	-70.11
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300012036435	0	40	0.0	-86.07	349.11	9.49	-76.58
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(OC)=C1OC	REAL300012036436	0	49	0.0	-84.64	397.15	7.53	-77.11
CCOC1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036437	0	44	0.0	-75.49	360.33	8.79	-66.70
CCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036438	0	44	0.0	-83.75	361.73	8.72	-75.03
COC1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036439	0	41	0.0	-75.98	338.48	7.87	-68.11
COC1=CC=C(Br)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036440	0	41	0.0	-78.62	359.82	8.47	-70.15
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC(Br)=C1O	REAL300012036441	0	42	0.0	-90.27	371.04	6.27	-84.00
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300012036442	0	47	0.0	-84.17	384.59	11.91	-72.26
COC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2C=C1	REAL300012036443	0	47	0.0	-77.02	380.75	9.97	-67.05
CSC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036444	0	41	0.0	-84.32	350.59	9.52	-74.80
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(Cl)C=CC=C2Cl)C=C1	REAL300012036445	0	37	0.0	-73.33	338.49	9.31	-64.02
COC1=CC(OC)=C(OC)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036446	0	49	0.0	-82.50	397.19	7.06	-75.44
CC1=CC(C)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300012036447	0	46	0.0	-80.28	364.96	10.22	-70.06
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(F)C=CC=C2F)C=C1	REAL300012036448	0	37	0.0	-75.17	321.01	8.53	-66.64
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(F)C(F)=C2)C=C1	REAL300012036449	0	37	0.0	-91.36	323.08	8.62	-82.74
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036450	0	47	0.0	-83.92	403.75	10.48	-73.44
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)C=C1	REAL300012036451	0	51	0.0	-82.85	421.64	11.77	-71.08
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COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1O	REAL300012036453	0	42	0.0	-86.69	350.64	5.63	-81.06
CC1=NN(C)C(C)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036454	0	43	0.0	-85.24	351.24	7.23	-78.01
CC1=NN(C)C(Cl)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036455	0	40	0.0	-81.24	348.53	7.13	-74.11
CCC1=NN(C)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036456	0	43	0.0	-85.04	354.32	7.63	-77.41
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(CC(F)(F)F)N=C2)C=C1	REAL300012036457	0	40	0.0	-89.10	352.60	7.66	-81.44
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C(C)(C)C)=N1	REAL300012036458	0	49	0.0	-83.09	379.37	8.67	-74.42
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2I)C=C1	REAL300012036459	0	37	0.0	-77.09	331.13	9.53	-67.56
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(N3CCCCC3)C([N+](=O)[O-])=C2)C=C1	REAL300012036460	0	54	0.0	-97.47	433.39	11.74	-85.73
CN(CCC#N)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036461	0	49	0.0	-85.26	404.55	10.35	-74.91
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)C=C1	REAL300012036462	0	47	0.0	-82.53	390.48	10.23	-72.30
CCOC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1OC	REAL300012036463	0	48	0.0	-79.70	391.87	8.76	-70.94
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OCC(N)=O	REAL300012036464	0	49	0.0	-101.75	407.71	5.65	-96.10
C#CCOC1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036465	0	43	0.0	-75.96	366.12	9.33	-66.63
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC2=C1OCO2	REAL300012036466	0	44	0.0	-93.63	365.96	6.44	-87.19
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NN(C3=CC=CC=C3)N=C2)C=C1	REAL300012036467	1	43	0.0	-87.13	364.81	8.28	-78.85
COC1=CC2=C(C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1)OC(C)C2	REAL300012036468	0	49	0.0	-78.53	395.54	8.46	-70.07
CCN(C(C)=O)C1=NC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300012036469	1	46	0.0	-84.18	389.47	8.37	-75.81
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300012036470	0	44	0.0	-83.77	359.95	8.54	-75.23
CC(C)(C)C1=NNC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036471	0	46	0.0	-83.45	357.15	7.39	-76.06
COC1=CC=CC(OC)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036472	0	45	0.0	-72.20	366.69	7.21	-64.99
COC1=CC=C(F)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036473	0	41	0.0	-79.83	344.38	7.83	-72.00
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(I)=C2)C=C1	REAL300012036474	0	37	0.0	-83.47	338.15	9.59	-73.88
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(I)C=C2)C=C1	REAL300012036475	0	37	0.0	-85.61	338.15	9.60	-76.01
CSC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036476	0	38	0.0	-82.63	343.89	8.82	-73.81
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036477	0	50	0.0	-74.63	398.73	12.34	-62.29
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CS(=O)(=O)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036480	0	43	0.0	-94.56	371.07	6.02	-88.54
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C=C1	REAL300012036481	0	47	0.0	-85.16	401.31	12.43	-72.73
COC1=CC=C(F)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036482	0	41	0.0	-79.60	344.91	7.93	-71.67
NC(=O)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036483	0	41	0.0	-92.59	344.92	5.28	-87.31
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1F	REAL300012036484	0	41	0.0	-91.24	346.11	7.86	-83.38
COC1=CC=C(Cl)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036485	0	41	0.0	-78.57	355.25	8.37	-70.20
COC(=O)C1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CN1C	REAL300012036486	0	44	0.0	-88.60	369.79	8.69	-79.91
CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300012036487	0	40	0.0	-84.23	345.84	9.59	-74.64
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1C	REAL300012036488	0	44	0.0	-83.95	359.96	8.54	-75.41
CC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1F	REAL300012036489	0	40	0.0	-77.92	336.27	9.17	-68.75
N#CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300012036490	0	38	0.0	-89.24	336.77	8.91	-80.33
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CC(C)COC1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036509	0	50	0.0	-75.87	401.93	10.28	-65.59
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COC(=O)C1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CN1	REAL300012036519	0	41	0.0	-87.33	352.04	6.93	-80.40
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COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=C1OC	REAL300012036521	0	48	0.0	-86.77	384.20	8.38	-78.39
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COC1=CC(C)=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036524	0	44	0.0	-75.96	359.93	8.52	-67.44
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C(F)(F)F)S2)C=C1	REAL300012036525	0	36	0.0	-91.37	336.45	6.91	-84.46
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CC1=CC(Cl)=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036529	0	40	0.0	-84.46	348.52	9.66	-74.80
COCC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036530	0	44	0.0	-83.37	365.44	8.23	-75.14
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NC=CN2C2=CC=CC=C2)C=C1	REAL300012036531	0	44	0.0	-78.21	367.90	10.16	-68.05
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3CC3)C=C2)C=C1	REAL300012036532	0	44	0.0	-81.35	359.60	10.60	-70.75
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NC=C(Cl)S2)C=C1	REAL300012036533	1	33	0.0	-82.83	312.22	6.26	-76.57
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=NN2C2CCCC2)C=C1	REAL300012036534	0	47	0.0	-88.47	376.55	8.98	-79.49
COC1=CC2=CC=CC=C2C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036535	0	47	0.0	-80.11	384.21	10.13	-69.98
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C(F)F)C=C2)C=C1	REAL300012036536	0	40	0.0	-85.84	342.56	9.36	-76.48
COC1=CC(C)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=N1	REAL300012036537	0	46	0.0	-87.91	371.22	6.25	-81.66
COC1=CC=CC(Cl)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036538	0	41	0.0	-73.09	352.59	8.27	-64.82
CCC1=CC(OC)=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036539	0	47	0.0	-83.17	373.34	9.08	-74.09
CC1=NC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)N1C1=CC=CC=C1	REAL300012036540	0	47	0.0	-81.26	389.40	10.77	-70.49
CCCN1N=C(C)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300012036541	0	49	0.0	-84.09	395.58	8.89	-75.20
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3CC3)N=C2)C=C1	REAL300012036542	0	42	0.0	-89.29	352.37	8.15	-81.14
COCCN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300012036543	0	44	0.0	-85.06	368.40	6.21	-78.85
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3CCC3)C=C2)C=C1	REAL300012036544	0	47	0.0	-80.73	376.14	11.08	-69.65
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300012036545	0	47	0.0	-87.06	384.85	10.10	-76.96
CCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300012036546	0	44	0.0	-88.81	367.96	8.80	-80.01
COC1=CC=CC2=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=CC=C12	REAL300012036547	0	47	0.0	-86.51	379.72	9.98	-76.53
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COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1C#N	REAL300012036549	0	42	0.0	-97.64	360.09	8.20	-89.44
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036550	0	47	0.0	-84.60	385.69	10.32	-74.28
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NC=C(C(F)(F)F)S2)C=C1	REAL300012036551	1	36	0.0	-85.86	335.73	6.81	-79.05
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1C#N	REAL300012036552	0	41	0.0	-93.38	350.39	9.39	-83.99
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C=C1	REAL300012036553	0	44	0.0	-89.02	374.23	6.80	-82.22
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(Br)=C1	REAL300012036554	0	41	0.0	-79.14	356.15	8.33	-70.81
CC(C)CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300012036555	0	46	0.0	-83.17	376.04	8.70	-74.47
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2C2CC2)C=C1	REAL300012036556	0	44	0.0	-80.53	353.41	10.50	-70.03
CC1=CC(Br)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036557	0	37	0.0	-76.15	341.94	8.94	-67.21
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036558	0	52	0.0	-85.40	420.08	11.20	-74.20
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036559	0	47	0.0	-71.67	399.46	11.19	-60.48
CCC1=CN=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036560	0	39	0.0	-79.39	338.56	7.22	-72.17
CN1C(=O)CCC2=CC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300012036561	0	48	0.0	-92.15	387.09	9.42	-82.73
CC1=CC=C(OC(F)F)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036562	0	44	0.0	-81.80	369.68	8.81	-72.99
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C=C1	REAL300012036563	0	43	0.0	-85.83	392.13	10.04	-75.79
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)C=C1	REAL300012036564	0	43	0.0	-87.36	379.92	9.75	-77.61
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036565	0	54	0.0	-79.01	435.98	12.00	-67.01
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)C=C1	REAL300012036566	0	48	0.0	-78.43	408.78	10.88	-67.55
CC1=NN(C(C)C)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036567	0	46	0.0	-84.01	373.06	8.28	-75.73
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3CCCC3)S2)C=C1	REAL300012036568	0	46	0.0	-82.57	382.29	9.13	-73.44
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)C=C1	REAL300012036569	0	43	0.0	-86.23	383.57	9.74	-76.49
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3CC3)S2)C=C1	REAL300012036570	0	40	0.0	-83.18	348.29	8.13	-75.05
CC(C)C1=NC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036571	0	42	0.0	-82.67	359.35	7.81	-74.86
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3=CC=CO3)S2)C=C1	REAL300012036572	0	40	0.0	-87.29	358.18	7.60	-79.69
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Br)C(Cl)=C2)C=C1	REAL300012036573	0	37	0.0	-88.68	346.50	9.56	-79.12
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)C=C1	REAL300012036574	0	49	0.0	-84.60	419.97	11.02	-73.58
CN1C=C(C2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=C2)C=N1	REAL300012036575	0	47	0.0	-86.83	390.50	9.79	-77.04
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(CC(F)F)N=C2)C=C1	REAL300012036576	0	40	0.0	-89.87	346.57	7.49	-82.38
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C=C1	REAL300012036577	0	48	0.0	-87.04	405.48	11.41	-75.63
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2=CC=C(F)C=C2)=N1	REAL300012036578	0	47	0.0	-88.49	396.11	9.74	-78.75
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2=CC=C(C#N)C=C2)=N1	REAL300012036579	0	48	0.0	-94.04	410.52	10.07	-83.97
CN(C)C(=O)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)N1	REAL300012036580	0	45	0.0	-97.37	367.29	6.68	-90.69
NC(=O)C1=CSC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036581	0	38	0.0	-86.87	336.72	4.36	-82.51
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300012036582	0	51	0.0	-89.48	418.75	10.92	-78.56
CCC1=NN(C)C(CC)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036583	0	49	0.0	-84.48	395.25	8.72	-75.76
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3CCC3)S2)C=C1	REAL300012036584	0	43	0.0	-82.63	364.94	8.61	-74.02
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3CCCO3)S2)C=C1	REAL300012036585	0	44	0.0	-86.23	374.44	6.71	-79.52
CC1=CC=CC=C1N1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)N=N1	REAL300012036586	1	46	0.0	-87.32	384.42	9.22	-78.10
CN1N=C(Br)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036587	0	37	0.0	-91.82	332.71	6.56	-85.26
CN1C=C(C2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)S2)C=N1	REAL300012036588	0	44	0.0	-85.86	384.33	9.18	-76.68
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C3OCCCCOC3=C2)C=C1	REAL300012036589	0	49	0.0	-87.30	389.45	9.38	-77.92
CCOC1=C(Cl)C=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036590	0	44	0.0	-81.47	377.84	9.39	-72.08
CCC1=CC=CC(F)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036591	0	43	0.0	-78.15	350.97	9.76	-68.39
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(F)C(Cl)=C2Cl)C=C1	REAL300012036592	0	37	0.0	-87.92	343.29	9.47	-78.45
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NN(C(F)F)C=C2)C=C1	REAL300012036593	0	37	0.0	-84.41	326.61	6.40	-78.01
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036594	0	48	0.0	-86.29	395.95	8.88	-77.41
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)C=C1	REAL300012036595	0	41	0.0	-75.85	360.36	8.37	-67.48
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)C=C1	REAL300012036596	0	44	0.0	-88.71	373.00	9.46	-79.25
CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2=CN(C)N=C2)=C1	REAL300012036597	0	50	0.0	-78.11	408.45	10.34	-67.77
CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2=CC=NN2C)=C1	REAL300012036598	0	50	0.0	-78.77	406.56	10.06	-68.71
CC(C)C1=CN=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036599	0	42	0.0	-79.26	358.94	7.85	-71.41
CC1=CC(Br)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300012036600	0	40	0.0	-79.02	361.25	10.17	-68.85
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)C=C1	REAL300012036601	0	47	0.0	-81.12	409.61	10.47	-70.65
CC(C)(C)C1=CN=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036602	0	45	0.0	-79.18	376.72	8.29	-70.89
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(C3CC3)N=CS2)C=C1	REAL300012036603	0	40	0.0	-84.25	345.87	7.93	-76.32
N#CCCN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2=CC=NC=C2)=N1	REAL300012036604	0	50	0.0	-95.45	427.14	9.28	-86.17
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)C=C1	REAL300012036605	0	43	0.0	-77.58	371.46	12.10	-65.48
COC(=O)C1=C(C)N(C)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036606	0	47	0.0	-91.69	388.42	9.00	-82.69
COCCCN1N=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036607	0	47	0.0	-88.83	383.25	6.84	-81.99
CC1=CC(F)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(Cl)=C1	REAL300012036608	0	40	0.0	-74.24	351.14	9.59	-64.65
COCCOCC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036609	0	51	0.0	-84.76	420.92	8.46	-76.30
CSCC1=CN=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036610	0	40	0.0	-81.52	361.80	7.66	-73.86
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CSC=C2C(F)(F)F)C=C1	REAL300012036611	0	37	0.0	-75.96	330.26	8.47	-67.49
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)SC2=C(Cl)C=CC=C12	REAL300012036612	0	43	0.0	-85.11	380.88	11.05	-74.06
CCN1N=C(C)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300012036613	1	42	0.0	-84.52	349.52	6.09	-78.43
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)C=C1	REAL300012036614	0	51	0.0	-87.41	433.81	10.90	-76.51
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(C3CC3)=C2)C=C1	REAL300012036615	0	44	0.0	-81.43	359.59	10.59	-70.84
N#CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300012036616	0	38	0.0	-97.68	337.13	8.93	-88.75
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C=C1	REAL300012036617	0	40	0.0	-94.20	349.98	7.60	-86.60
CC1=CC(F)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300012036618	0	40	0.0	-75.11	342.40	9.21	-65.90
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)O1	REAL300012036619	0	47	0.0	-81.60	394.41	8.92	-72.68
CC(C)CN1N=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036620	0	46	0.0	-87.95	373.45	8.48	-79.47
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Br)=CN=C2Cl)C=C1	REAL300012036621	0	36	0.0	-84.60	338.63	7.72	-76.88
COC(=O)C1=C(C)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CN1	REAL300012036622	0	44	0.0	-87.93	367.95	7.51	-80.42
CC1=CC=C(C2=NC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)S2)C=C1C	REAL300012036623	0	49	0.0	-84.94	414.48	10.74	-74.20
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036624	0	47	0.0	-91.95	393.25	10.45	-81.50
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036625	0	47	0.0	-89.27	400.97	10.99	-78.28
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036626	0	50	0.0	-87.90	410.19	10.97	-76.93
CC(C)(C#N)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036627	0	47	0.0	-86.55	387.00	10.45	-76.10
CC(C)C1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036628	0	46	0.0	-80.18	364.19	10.28	-69.90
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NN3CCCCC3=C2)C=C1	REAL300012036629	0	44	0.0	-79.74	354.98	7.83	-71.91
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=NN2C2=CC=CC=C2)C=C1	REAL300012036630	0	43	0.0	-91.55	360.70	8.13	-83.42
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CN=CC=C3O2)C=C1	REAL300012036631	0	39	0.0	-89.11	332.99	7.29	-81.82
COC1=CC(OC)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300012036632	0	45	0.0	-83.31	374.19	7.23	-76.08
COC1=CC(F)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300012036633	0	45	0.0	-85.20	373.59	7.75	-77.45
CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(Cl)=C1	REAL300012036634	0	40	0.0	-76.57	344.49	9.60	-66.97
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036635	0	50	0.0	-88.13	410.32	10.97	-77.16
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300012036636	0	41	0.0	-81.13	345.44	7.81	-73.32
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC3=C2CCC3)C=C1	REAL300012036637	0	44	0.0	-81.34	354.69	10.33	-71.01
COC1=CC=CC(F)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036638	0	41	0.0	-74.00	343.85	7.88	-66.12
CCCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300012036639	0	50	0.0	-83.17	398.00	10.15	-73.02
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CC=NC=C3S2)C=C1	REAL300012036640	0	39	0.0	-88.49	342.50	8.25	-80.24
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C3CCCN3N=C2)C=C1	REAL300012036641	0	41	0.0	-85.26	336.85	7.10	-78.16
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CC(Br)=CC=C3O2)C=C1	REAL300012036642	0	40	0.0	-87.16	359.55	9.63	-77.53
CCC1=C2OC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CC2=CC=C1	REAL300012036643	0	46	0.0	-85.17	381.16	10.45	-74.72
C=CCCN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)N=N1	REAL300012036644	1	43	0.0	-87.04	362.91	7.16	-79.88
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=NN2CC2CC2)C=C1	REAL300012036645	0	44	0.0	-86.61	359.66	8.56	-78.05
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(OC3CC3)=C2F)C=C1	REAL300012036646	0	45	0.0	-81.17	376.30	9.50	-71.67
CCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300012036647	0	47	0.0	-83.33	376.56	9.34	-73.99
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(F)=C2OC(F)F)C=C1	REAL300012036648	0	41	0.0	-83.50	354.72	8.21	-75.29
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(F)=CC=C2OC(F)F)C=C1	REAL300012036649	0	41	0.0	-85.02	354.67	8.21	-76.81
COC1=NC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036650	0	40	0.0	-79.58	336.15	5.27	-74.31
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(C3CCCC3)=C2)C=C1	REAL300012036651	0	50	0.0	-81.02	394.61	11.70	-69.32
CN1C=C(C2=NN(C)C=C2C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300012036652	0	47	0.0	-83.42	393.63	7.49	-75.93
COCC1=CSC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036653	0	41	0.0	-81.62	355.90	7.33	-74.29
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(C3CCC3)N=N2)C=C1	REAL300012036654	1	43	0.0	-86.79	352.56	6.97	-79.82
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)C=C1	REAL300012036655	0	43	0.0	-85.41	392.14	10.04	-75.37
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CSC(C(F)(F)F)=C2)C=C1	REAL300012036656	0	37	0.0	-87.33	341.00	8.64	-78.69
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C(F)(F)F)O2)C=C1	REAL300012036657	0	37	0.0	-87.99	332.30	7.86	-80.13
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(C(F)(F)F)SC=C2)C=C1	REAL300012036658	0	37	0.0	-79.92	331.78	8.62	-71.30
CN(C)C1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=CC(F)=C1F	REAL300012036659	0	45	0.0	-86.60	370.16	8.55	-78.05
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(F)C=CC(F)=C2Cl)C=C1	REAL300012036660	0	37	0.0	-77.94	335.59	8.97	-68.97
CC(C)OC1=CC(Cl)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300012036661	0	47	0.0	-81.26	408.36	10.34	-70.92
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OC3CCOC3)C=C2)C=C1	REAL300012036662	0	49	0.0	-86.10	395.71	8.14	-77.96
CN(C)C1=CC(F)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300012036663	0	45	0.0	-84.24	375.79	8.07	-76.17
COC(=O)C1=C2CCCCN2C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036664	0	51	0.0	-92.36	412.07	10.23	-82.13
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(F)C(F)=C2F)C=C1	REAL300012036665	0	37	0.0	-91.46	327.51	8.66	-82.80
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC(C(F)(F)F)=C1	REAL300012036666	0	44	0.0	-87.19	378.60	8.79	-78.40
C=CCOC1=C(Cl)C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300012036667	0	49	0.0	-91.21	423.84	9.86	-81.35
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OC1CC1	REAL300012036668	0	49	0.0	-89.82	400.16	9.36	-80.46
CCCN1N=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036669	0	43	0.0	-87.02	349.58	7.76	-79.26
CN1N=C(C(F)(F)F)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036670	0	40	0.0	-94.65	352.37	7.05	-87.60
COCC(C)OC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036671	0	51	0.0	-86.08	411.96	8.70	-77.38
CCCC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036672	0	43	0.0	-79.61	365.47	9.96	-69.65
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C=C1	REAL300012036673	0	44	0.0	-84.99	377.74	11.11	-73.88
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=NN2CCC2=CC=CC=C2)C=C1	REAL300012036674	0	50	0.0	-90.77	409.49	10.79	-79.98
CC(C)C1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036675	0	46	0.0	-80.85	370.60	10.41	-70.44
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(Cl)=N1	REAL300012036676	0	37	0.0	-84.93	329.86	6.72	-78.21
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)C=C1	REAL300012036677	0	44	0.0	-85.23	387.59	9.35	-75.88
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1C(C)(C)C	REAL300012036678	0	53	0.0	-83.13	411.05	10.48	-72.65
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(CC3CCC3)=C2)C=C1	REAL300012036679	0	50	0.0	-81.00	401.43	12.00	-69.00
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036680	0	45	0.0	-74.93	383.19	7.71	-67.22
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=NC=C1Br	REAL300012036681	0	39	0.0	-83.99	345.19	7.85	-76.14
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C(Br)C=C1F	REAL300012036682	0	40	0.0	-82.99	352.54	9.78	-73.21
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(O)C=CC=C2Br)C=C1	REAL300012036683	0	38	0.0	-76.44	338.14	6.19	-70.25
CN1C=C(C2=NC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CS2)C=N1	REAL300012036684	0	43	0.0	-84.91	379.89	7.09	-77.82
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300012036685	0	41	0.0	-89.14	355.91	8.34	-80.80
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=NN2CC2CCC2)C=C1	REAL300012036686	0	47	0.0	-88.16	380.96	9.02	-79.14
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)C=C1	REAL300012036687	1	43	0.0	-91.25	369.70	8.39	-82.86
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2CC(F)(F)F)C=C1	REAL300012036688	0	43	0.0	-81.32	359.65	10.07	-71.25
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(Br)=N1	REAL300012036689	0	37	0.0	-84.38	333.91	6.78	-77.60
CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300012036690	0	40	0.0	-78.00	337.35	9.20	-68.80
CC(=O)NC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036691	0	44	0.0	-91.85	366.19	7.41	-84.44
CN1N=CC2=CC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CN=C21	REAL300012036692	0	42	0.0	-93.71	354.68	7.63	-86.08
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NC=C(Br)C=C2F)C=C1	REAL300012036693	0	36	0.0	-79.22	332.03	7.29	-71.93
COC1=CC(Cl)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300012036694	0	45	0.0	-83.89	380.91	8.17	-75.72
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C=C1	REAL300012036695	0	43	0.0	-83.80	371.36	10.28	-73.52
CN1N=C2CCCCC2=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036696	0	47	0.0	-89.10	374.57	8.49	-80.61
CCOC(=O)C1=C(C)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C(C)N1	REAL300012036697	0	50	0.0	-86.66	410.71	8.89	-77.77
CC1=C(C)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CS1	REAL300012036698	0	40	0.0	-80.74	336.96	8.83	-71.91
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(Cl)C(F)=C2)C=C1	REAL300012036699	0	36	0.0	-94.70	327.97	7.18	-87.52
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C=C1	REAL300012036700	0	47	0.0	-87.38	403.41	12.46	-74.92
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Br)C(F)=C2F)C=C1	REAL300012036701	0	37	0.0	-90.09	341.82	9.21	-80.88
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(Br)SC=C2)C=C1	REAL300012036702	0	34	0.0	-78.69	318.38	8.15	-70.54
CCOC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C(F)C=C1OC	REAL300012036703	0	48	0.0	-85.28	395.44	8.66	-76.62
COC1=NC=C(Br)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036704	0	40	0.0	-81.19	357.43	5.88	-75.31
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(F)C3=CC=CC=C23)C=C1	REAL300012036705	0	43	0.0	-89.91	356.91	10.66	-79.25
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CN=C2Br)C=C1	REAL300012036706	0	36	0.0	-83.58	320.93	7.19	-76.39
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C(F)C=C1Br	REAL300012036707	0	41	0.0	-86.82	364.77	8.50	-78.32
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(Br)=C2Cl)C=C1	REAL300012036708	0	37	0.0	-80.51	342.50	9.50	-71.01
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)C=C1	REAL300012036709	0	41	0.0	-82.32	361.46	8.44	-73.88
CC(C)OC1=CC=C(F)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036710	0	47	0.0	-78.91	384.70	9.48	-69.43
CCOC1=CC(F)=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036711	0	44	0.0	-85.95	368.15	8.79	-77.16
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)C=C1	REAL300012036712	0	51	0.0	-94.04	406.38	9.50	-84.54
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OC(F)F)C=C2F)C=C1	REAL300012036713	0	41	0.0	-82.45	355.19	8.10	-74.35
CC(C)(C)OC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036714	0	50	0.0	-81.22	390.78	9.62	-71.60
CC1=C(Cl)C=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036715	0	40	0.0	-83.98	339.83	9.49	-74.49
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C(F)C=C1C	REAL300012036716	0	44	0.0	-81.84	364.49	8.57	-73.27
CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=C1Br	REAL300012036717	0	43	0.0	-83.37	361.47	10.21	-73.16
CC1=CC=NC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1Br	REAL300012036718	1	39	0.0	-74.56	342.02	7.75	-66.81
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036719	0	54	0.0	-85.92	432.45	8.74	-77.18
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2=CC(F)=CC=C2F)=N1	REAL300012036720	0	47	0.0	-85.36	402.65	9.82	-75.54
CC(C)(C)C1=CSC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300012036721	0	45	0.0	-79.76	375.95	8.21	-71.55
COCCC1=NC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036722	0	43	0.0	-85.31	372.24	6.28	-79.03
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(F)=CC(F)=C2O)C=C1	REAL300012036724	1	38	0.0	-86.79	332.62	5.85	-80.94
CN1N=C2CCSCC2=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036725	0	45	0.0	-92.17	373.94	8.14	-84.03
CCN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2=CC=CC=C2)=N1	REAL300012036726	0	50	0.0	-83.51	411.21	10.52	-72.99
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC3=C2CCOC3)C=C1	REAL300012036727	0	45	0.0	-83.97	357.14	8.46	-75.51
COCC1=C(C)C=C(C)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300012036728	0	53	0.0	-82.07	412.74	9.67	-72.40
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C3OC(=O)OC3=C2)C=C1	REAL300012036729	0	39	0.0	-98.55	338.14	9.04	-89.51
CC1=C(Br)C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036730	0	37	0.0	-82.10	342.96	9.00	-73.10
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C=C1	REAL300012036731	0	47	0.0	-86.13	401.32	12.42	-73.71
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC3=NC=CC=C23)C=C1	REAL300012036732	0	42	0.0	-90.60	346.48	8.75	-81.85
CCCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300012036733	0	50	0.0	-83.59	403.31	10.26	-73.33
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=NC=CN=C3C=C2)C=C1	REAL300012036734	0	41	0.0	-90.94	346.42	6.91	-84.03
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1CN1C=CC=N1	REAL300012036735	0	51	0.0	-89.72	422.47	9.48	-80.24
CCOC1=CC=CC(F)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036736	0	44	0.0	-72.99	365.70	8.80	-64.19
CC1=CC=C(Br)C(F)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036737	0	40	0.0	-83.17	353.29	9.64	-73.53
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=CC=C1[N+](=O)[O-]	REAL300012036738	0	42	0.0	-95.41	348.86	9.55	-85.86
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036739	0	45	0.0	-93.99	367.05	10.04	-83.95
COC1=CC=C(CN2C=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)N=N2)C=C1	REAL300012036740	1	50	0.0	-91.77	418.04	8.14	-83.63
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(F)=C1OC	REAL300012036741	0	45	0.0	-84.81	378.42	7.83	-76.98
COC(=O)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300012036742	0	43	0.0	-88.47	370.71	9.18	-79.29
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)C=C1	REAL300012036743	0	47	0.0	-84.70	397.02	8.87	-75.83
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)C=C1	REAL300012036744	0	51	0.0	-84.09	421.65	11.76	-72.33
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2OCC(F)F)C=C1	REAL300012036745	0	44	0.0	-76.12	373.35	9.11	-67.01
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Cl)C=N2)C=C1	REAL300012036746	0	36	0.0	-83.97	322.10	7.17	-76.80
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036747	0	53	0.0	-85.99	425.70	11.50	-74.49
CC1=CC(C#N)=CC(C)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036748	0	44	0.0	-91.10	364.30	9.94	-81.16
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(CCF)N=C2)C=C1	REAL300012036749	0	40	0.0	-86.28	341.31	7.30	-78.98
CC(C)(C)C1=COC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300012036750	1	45	0.0	-82.13	367.93	5.86	-76.27
CCCC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036751	0	46	0.0	-80.61	374.76	10.72	-69.89
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)C=C1	REAL300012036752	0	43	0.0	-83.09	391.95	9.80	-73.29
COC1=CC=C(C2=NC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CS2)C=C1	REAL300012036753	0	47	0.0	-83.18	404.66	8.60	-74.58
CC1=C2C=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=NC2=NN1	REAL300012036755	0	42	0.0	-98.41	353.44	7.02	-91.39
CS(=O)(=O)NC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036756	0	45	0.0	-95.19	383.96	5.21	-89.98
CN1N=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300012036757	0	43	0.0	-83.31	360.32	8.41	-74.90
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C3C=CC=CC3=NN2)C=C1	REAL300012036758	0	40	0.0	-94.61	337.27	7.11	-87.50
CN1C(Cl)=NC(Cl)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036759	0	37	0.0	-90.52	343.83	7.78	-82.74
CCC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036760	0	40	0.0	-79.67	343.97	9.18	-70.49
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NC=CC3=CC=CC=C32)C=C1	REAL300012036761	0	42	0.0	-83.50	348.11	8.78	-74.72
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)N2C=CC=CC2=N1	REAL300012036762	0	43	0.0	-91.02	357.76	9.48	-81.54
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036763	0	57	0.0	-80.00	432.16	10.58	-69.42
CCC1=NC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036764	0	39	0.0	-82.94	338.56	7.21	-75.73
COC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)SC=C1	REAL300012036765	0	38	0.0	-74.54	330.50	6.90	-67.64
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C=C1	REAL300012036766	0	43	0.0	-89.87	366.56	6.74	-83.13
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CSC=C2Cl)C=C1	REAL300012036767	0	34	0.0	-77.15	315.04	7.90	-69.25
CC1=NN2C(=NC(C)=C2C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036768	0	42	0.0	-85.11	365.62	7.69	-77.42
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036769	0	48	0.0	-85.25	406.70	8.96	-76.29
CCCC(C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300012036770	0	49	0.0	-79.29	387.60	11.12	-68.17
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C=C1	REAL300012036771	0	42	0.0	-72.32	364.13	9.43	-62.89
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C(F)(F)F)S2)C=C1	REAL300012036772	0	37	0.0	-87.67	341.25	8.80	-78.87
CN(C)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)=C1	REAL300012036773	0	48	0.0	-80.67	390.38	9.94	-70.73
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036774	0	47	0.0	-82.35	392.11	11.12	-71.23
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036775	0	46	0.0	-86.12	400.60	10.08	-76.04
CC(C)C1CCC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300012036776	0	52	0.0	-79.26	380.27	10.29	-68.97
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)C=C1	REAL300012036777	0	40	0.0	-92.78	370.28	9.84	-82.94
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN3C=CC(Br)=CC3=N2)C=C1	REAL300012036778	0	40	0.0	-85.61	358.67	9.62	-75.99
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036779	0	48	0.0	-84.84	397.02	9.89	-74.95
COCC1=CC=CC=C1C=C(C)C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036780	0	51	0.0	-85.31	408.90	10.09	-75.22
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036781	0	47	0.0	-78.61	382.71	9.32	-69.29
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CON=C2CC2=CC=CC=C2)C=C1	REAL300012036782	0	46	0.0	-93.55	385.78	10.23	-83.32
CN1N=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1Cl	REAL300012036783	0	37	0.0	-80.70	329.00	6.63	-74.07
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CC=CN=C3O2)C=C1	REAL300012036784	0	39	0.0	-90.19	333.02	5.97	-84.22
COC1=CC=C(N2C=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=N2)C=C1	REAL300012036785	0	48	0.0	-89.00	398.70	9.00	-80.00
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036786	0	52	0.0	-80.93	432.29	11.91	-69.02
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C=C1	REAL300012036787	0	39	0.0	-91.01	349.79	6.47	-84.54
O=C([O-])C1=CC=C(OCC[NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C=C1	REAL300012036788	0	44	0.0	-81.57	359.55	10.61	-70.96
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=NC=C2Br)C=C1	REAL300012036789	0	36	0.0	-83.22	321.23	7.30	-75.92
CS(=O)(=O)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036790	0	40	0.0	-93.87	363.46	5.18	-88.69
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=NN2C2=CC=CC=N2)C=C1	REAL300012036791	0	43	0.0	-81.30	362.56	9.19	-72.11
NS(=O)(=O)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300012036792	0	42	0.0	-91.78	370.18	3.48	-88.30
CC(C)N1C=CN=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036794	0	43	0.0	-84.24	351.23	8.31	-75.93
CC1=C(Br)C=NC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036795	0	39	0.0	-87.37	338.83	7.85	-79.52
CN1N=CC(C(F)(F)F)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036796	0	40	0.0	-88.33	348.00	7.09	-81.24
CN1N=CC(C2CC2)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036797	0	44	0.0	-88.85	361.10	8.13	-80.72
CN1N=CC(C2CCC2)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036798	0	47	0.0	-89.29	377.46	8.64	-80.65
CC1=C2C=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)NC2=CC=C1	REAL300012036799	0	44	0.0	-86.87	363.22	9.08	-77.79
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=NN2C2=CC=NC=C2)C=C1	REAL300012036800	0	43	0.0	-89.04	361.63	7.64	-81.40
CC1=CC=C2C=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)NC2=C1	REAL300012036801	0	44	0.0	-86.60	363.63	9.09	-77.51
CCOC1=CN=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036802	0	43	0.0	-86.29	356.66	6.90	-79.39
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=NC=C2Cl)C=C1	REAL300012036803	0	36	0.0	-83.74	317.63	7.20	-76.54
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=NN2C2CCOCC2)C=C1	REAL300012036804	0	48	0.0	-91.97	386.04	7.12	-84.85
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC3=NNC=C32)C=C1	REAL300012036805	0	40	0.0	-93.46	336.50	7.19	-86.27
CCC(F)(F)C(C)(C)C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036806	0	45	0.0	-78.10	349.89	8.87	-69.23
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C3C=CNC3=C2)C=C1	REAL300012036807	0	41	0.0	-84.47	341.74	8.52	-75.95
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=C(C=CNC3=O)O2)C=C1	REAL300012036808	0	40	0.0	-91.79	342.99	5.98	-85.81
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C(F)F)N=C2)C=C1	REAL300012036809	0	39	0.0	-90.39	339.79	7.57	-82.82
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036810	0	46	0.0	-84.53	383.51	8.91	-75.62
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(CC3CCOC3)N=N2)C=C1	REAL300012036811	1	47	0.0	-89.73	384.84	5.94	-83.79
COC1=CN=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300012036812	0	43	0.0	-86.57	349.62	6.61	-79.96
CC1=CC(C)=C(C=CC[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300012036813	0	50	0.0	-83.42	400.40	11.63	-71.79
CC(C)(C)OC(=O)NC(C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1)CC(F)F	REAL300012036814	0	53	0.0	-92.11	416.96	7.30	-84.81
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(CC3CCCO3)N=N2)C=C1	REAL300012036815	1	47	0.0	-87.47	385.38	6.08	-81.39
CCCN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)N=N1	REAL300012036816	1	42	0.0	-87.32	350.10	6.60	-80.72
CN(C)C1=CC=C(F)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036817	0	45	0.0	-79.03	367.99	8.59	-70.44
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(C3CC3)C=N2)C=C1	REAL300012036818	0	41	0.0	-79.14	341.75	9.15	-69.99
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C=C1	REAL300012036819	0	42	0.0	-94.38	357.80	8.93	-85.45
CC1=CC(C)=C(C=CC[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300012036820	0	50	0.0	-82.44	397.29	11.52	-70.92
NS(=O)(=O)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036821	0	42	0.0	-95.33	364.61	3.45	-91.88
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3CC3)O2)C=C1	REAL300012036822	0	40	0.0	-85.06	339.10	5.80	-79.26
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NC=CC3=C2CCCC3)C=C1	REAL300012036823	0	46	0.0	-80.76	363.34	8.99	-71.77
CC1=NN(C)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1Cl	REAL300012036824	0	40	0.0	-87.40	349.46	7.15	-80.25
CN1C=CC(C2=NC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CS2)=N1	REAL300012036825	0	43	0.0	-86.17	379.99	6.96	-79.21
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2CCCC2)=N1	REAL300012036826	0	50	0.0	-86.00	398.69	9.41	-76.59
CC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1Br	REAL300012036827	0	40	0.0	-76.00	344.87	9.62	-66.38
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C=C1	REAL300012036828	0	48	0.0	-85.34	405.50	11.41	-73.93
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C3OCCCC3=C2)C=C1	REAL300012036829	0	45	0.0	-84.08	364.08	9.12	-74.96
CN(C)C(=O)C1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036830	0	47	0.0	-86.91	382.55	8.34	-78.57
CCC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(Cl)=NN1	REAL300012036831	0	40	0.0	-80.88	343.64	6.70	-74.18
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(C3CC3)NN=C2Cl)C=C1	REAL300012036832	0	41	0.0	-81.18	356.74	7.44	-73.74
CCC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=NO1	REAL300012036833	0	42	0.0	-88.49	349.14	8.07	-80.42
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C2CCCCC2=N1	REAL300012036834	0	49	0.0	-88.60	382.97	9.68	-78.92
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2N2CCCCC2)C=C1	REAL300012036835	0	52	0.0	-76.67	404.20	10.55	-66.12
CCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)O1	REAL300012036836	0	41	0.0	-84.17	345.99	8.01	-76.16
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CSC(C(F)(F)F)=N2)C=C1	REAL300012036837	1	36	0.0	-86.83	336.03	6.61	-80.22
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CN=C1F	REAL300012036838	0	39	0.0	-91.88	332.01	7.28	-84.60
CC1=CC(F)=NC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036839	0	39	0.0	-91.69	327.65	7.22	-84.47
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C(F)F)C(F)=C2)C=C1	REAL300012036840	0	40	0.0	-89.89	349.58	9.45	-80.44
COC(=O)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300012036841	0	46	0.0	-90.93	381.22	9.69	-81.24
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300012036842	0	44	0.0	-83.43	354.65	8.42	-75.01
CC1=C(Cl)C=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1Cl	REAL300012036843	0	40	0.0	-80.67	355.88	9.95	-70.72
N#CC1=CC=C(Br)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036844	0	38	0.0	-85.42	346.59	9.47	-75.95
CC1CC2=CC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CC=C2O1	REAL300012036845	0	45	0.0	-85.83	367.26	9.07	-76.76
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC3=C2OC(=O)N3)C=C1	REAL300012036846	0	40	0.0	-86.33	342.13	5.99	-80.34
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC3=C2OCC3)C=C1	REAL300012036847	0	42	0.0	-76.92	346.12	8.33	-68.59
CSCC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036848	0	44	0.0	-82.85	376.50	10.38	-72.47
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(CC3CCC3)N=C2)C=C1	REAL300012036849	0	47	0.0	-83.50	382.61	9.24	-74.26
CN1N=C2CCOCC2=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036850	0	45	0.0	-91.78	365.69	6.09	-85.69
CN1N=C2CCCC2=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036851	0	44	0.0	-89.07	357.10	7.97	-81.10
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=NN2C2CCC2)C=C1	REAL300012036852	0	44	0.0	-88.32	359.16	8.28	-80.04
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(C3CCC3)N=C2)C=C1	REAL300012036853	0	44	0.0	-84.47	358.54	8.28	-76.19
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036854	0	50	0.0	-74.77	412.74	10.05	-64.72
COC(=O)COC1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036855	0	47	0.0	-76.33	394.84	9.45	-66.88
COC1=CC=C(C)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036856	0	44	0.0	-81.86	354.69	8.41	-73.45
CN1C=NC2=CC=CC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=C21	REAL300012036857	0	43	0.0	-90.53	348.78	9.74	-80.79
CN(C)C(=O)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036858	0	47	0.0	-93.59	381.08	8.35	-85.24
CC1=CC(F)=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036859	0	40	0.0	-85.68	338.19	9.23	-76.45
CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=C1C	REAL300012036860	0	46	0.0	-80.10	359.93	10.22	-69.88
CCNC(=O)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036861	0	47	0.0	-92.45	388.34	7.62	-84.83
CC(C)(C)C1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036862	0	49	0.0	-76.36	364.70	10.83	-65.53
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C3CCCCCN23)C=C1	REAL300012036863	0	47	0.0	-85.97	366.39	8.89	-77.08
COC1=CC=C2SC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CC2=C1	REAL300012036864	0	44	0.0	-85.10	377.31	9.32	-75.78
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CON=C2C2CC2)C=C1	REAL300012036865	0	40	0.0	-88.96	338.53	8.10	-80.86
CCN(CC)C(=O)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036866	0	53	0.0	-92.91	422.63	10.27	-82.64
CCN1CCC2=CC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300012036867	0	49	0.0	-83.18	389.68	9.12	-74.06
CCN(C)C(=O)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036868	0	50	0.0	-93.49	403.25	9.35	-84.14
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=NN1C(C)C	REAL300012036869	0	46	0.0	-83.83	372.39	8.33	-75.50
CSC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300012036870	0	41	0.0	-87.22	365.60	9.96	-77.26
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1C1CC1	REAL300012036871	0	47	0.0	-81.22	377.41	11.11	-70.11
CCOC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=N1	REAL300012036872	0	43	0.0	-87.99	359.32	6.13	-81.86
CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1C1CC1	REAL300012036873	0	47	0.0	-81.30	377.41	11.11	-70.19
CC1=NN(C2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C(C)=C2)C=C1	REAL300012036874	0	50	0.0	-89.99	405.48	10.89	-79.10
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C=C1	REAL300012036875	0	43	0.0	-88.48	381.58	10.37	-78.11
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036876	0	47	0.0	-89.19	400.67	10.80	-78.39
CCC1=CC(Br)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036877	0	40	0.0	-76.24	363.41	9.72	-66.52
CC1=NN(C2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=C2)C=C1Cl	REAL300012036878	0	47	0.0	-89.97	407.29	10.78	-79.19
COC(=O)C1=CC2=C(C=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)O2)N1	REAL300012036879	0	44	0.0	-92.75	378.97	7.29	-85.46
COCCOC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)O1	REAL300012036880	0	45	0.0	-86.14	379.62	7.25	-78.89
CC(C)(C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(Br)C=C1	REAL300012036881	0	46	0.0	-84.13	379.74	10.82	-73.31
CC1=NN(C(C)C)C(C)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036882	0	49	0.0	-83.64	393.83	8.80	-74.84
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NN(CCF)C=C2)C=C1	REAL300012036883	0	40	0.0	-81.78	341.37	7.21	-74.57
CCN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=N1	REAL300012036884	0	43	0.0	-84.47	354.38	7.75	-76.72
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Cl)=CC(Br)=C2)C=C1	REAL300012036885	0	37	0.0	-86.91	348.40	9.61	-77.30
CC1=CC=C(C2=CC=CC=C2C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300012036886	0	53	0.0	-74.73	420.96	12.99	-61.74
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2CC2)=N1	REAL300012036887	0	44	0.0	-85.46	365.25	8.47	-76.99
COC1=CC=CC(C2=CSC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=N2)=C1	REAL300012036888	0	47	0.0	-84.55	402.95	8.56	-75.99
COC(=O)C1=C2COCCN2C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036889	0	49	0.0	-94.38	403.77	7.86	-86.52
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)C=C1	REAL300012036890	0	54	0.0	-93.05	425.19	10.43	-82.62
CN1N=C(C2CC2)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036891	0	44	0.0	-89.33	362.70	8.15	-81.18
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036892	0	47	0.0	-90.88	381.75	11.41	-79.47
CC(C)C1=NOC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036893	0	42	0.0	-88.68	348.60	7.78	-80.90
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)C=C1	REAL300012036894	0	41	0.0	-79.99	366.59	7.41	-72.58
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=C(C3CCOCC3)O2)C=C1	REAL300012036895	0	47	0.0	-86.96	382.65	4.95	-82.01
COC1=NC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1F	REAL300012036896	0	40	0.0	-85.85	343.05	5.25	-80.60
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(Cl)C=CC=C2Br)C=C1	REAL300012036897	0	37	0.0	-72.89	342.51	9.40	-63.49
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(F)C(Br)=C2F)C=C1	REAL300012036898	0	37	0.0	-89.68	341.24	9.19	-80.49
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN3C=CN=C3S2)C=C1	REAL300012036899	0	37	0.0	-95.33	327.76	8.46	-86.87
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C(C(C)(C)C)O1	REAL300012036900	0	49	0.0	-81.18	394.33	10.06	-71.12
CC1=C(C)SC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300012036901	0	39	0.0	-79.56	335.85	6.94	-72.62
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)C=C1	REAL300012036902	1	46	0.0	-89.35	388.53	8.84	-80.51
CC(C)(C)OC(=O)N1CCC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300012036903	0	57	0.0	-88.54	434.09	9.53	-79.01
CC1=CC(Br)=CN=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036904	0	39	0.0	-83.29	342.93	7.84	-75.45
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)C=C1	REAL300012036905	0	43	0.0	-90.08	384.26	6.41	-83.67
CC1OC2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=C2C1C	REAL300012036906	0	48	0.0	-85.96	383.77	9.60	-76.36
CC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OC(F)F	REAL300012036907	0	44	0.0	-82.50	369.71	8.82	-73.68
CC1=NC(Cl)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1Br	REAL300012036908	0	39	0.0	-84.22	357.03	8.26	-75.96
CC(C)CC1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036909	0	49	0.0	-80.01	380.13	10.90	-69.11
CN1N=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1S(C)(=O)=O	REAL300012036910	1	43	0.0	-88.03	362.80	3.84	-84.19
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)NN=C1C(F)(F)F	REAL300012036911	0	40	0.0	-94.24	348.10	6.44	-87.80
CC(C)CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)N=N1	REAL300012036912	1	45	0.0	-86.95	365.79	7.24	-79.71
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NC(C3CC3)=CS2)C=C1	REAL300012036913	0	40	0.0	-80.45	346.01	7.71	-72.74
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(C(F)(F)F)=NN2)C=C1	REAL300012036914	0	37	0.0	-93.87	331.44	5.84	-88.03
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C3CCOC3=C2)C=C1	REAL300012036915	0	42	0.0	-83.44	346.23	8.34	-75.10
CN1C=C(Cl)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300012036916	1	37	0.0	-77.42	329.82	6.71	-70.71
CS(=O)(=O)C1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=CS1	REAL300012036917	1	40	0.0	-85.40	350.00	5.41	-79.99
CSC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036918	0	41	0.0	-81.99	350.59	9.51	-72.48
CC(C)C1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)N(C)N=C1	REAL300012036919	0	46	0.0	-88.76	372.52	7.98	-80.78
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC(C)=N1	REAL300012036920	0	42	0.0	-87.30	348.48	7.95	-79.35
CC1=C(Br)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C(C)S1	REAL300012036921	0	40	0.0	-78.20	359.23	9.46	-68.74
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2=CC=CC(F)=C2)=N1	REAL300012036922	0	47	0.0	-84.44	395.97	9.72	-74.72
CCCN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=N1	REAL300012036923	0	46	0.0	-84.40	375.87	8.51	-75.89
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=NC=CC=C3O2)C=C1	REAL300012036924	0	39	0.0	-88.70	333.01	7.21	-81.49
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(CC3CC3)S2)C=C1	REAL300012036925	0	44	0.0	-79.92	375.58	10.74	-69.18
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OC3CC3)C=C2)C=C1	REAL300012036926	0	45	0.0	-84.96	370.92	9.46	-75.50
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C=C1	REAL300012036927	0	41	0.0	-83.21	361.94	8.31	-74.90
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C=C1	REAL300012036928	0	43	0.0	-86.20	381.57	10.37	-75.83
CC1=NC=CN1C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300012036929	0	50	0.0	-91.73	404.95	11.58	-80.15
CC1=C(C)N(C2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=C2)C=N1	REAL300012036930	0	50	0.0	-92.69	408.11	12.10	-80.59
CNC(=O)C1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036931	0	44	0.0	-86.29	366.86	6.76	-79.53
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C=C1	REAL300012036932	0	51	0.0	-82.09	405.35	12.52	-69.57
CCNC(=O)C1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036934	0	47	0.0	-85.87	388.34	7.61	-78.26
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)OC2=CC=C(F)C=C12	REAL300012036935	0	43	0.0	-87.68	365.07	9.72	-77.96
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(C3CCC3)=NN2)C=C1	REAL300012036936	0	44	0.0	-88.00	357.49	7.41	-80.59
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036937	0	47	0.0	-92.01	390.45	9.61	-82.40
CCCN1C=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300012036938	0	43	0.0	-79.73	356.28	7.83	-71.90
CC(C)N1C=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300012036939	0	43	0.0	-79.40	353.44	7.58	-71.82
CC(C)(C)C1=CN=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036940	0	48	0.0	-85.82	381.77	8.99	-76.83
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NN(CC(F)(F)F)C=C2)C=C1	REAL300012036941	0	40	0.0	-84.08	352.66	7.57	-76.51
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)C=C1	REAL300012036942	0	47	0.0	-82.92	383.18	10.53	-72.39
CN1C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=NC2=C1CCCC2	REAL300012036943	0	47	0.0	-83.03	373.10	9.17	-73.86
COC1=NC(Cl)=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036944	0	40	0.0	-84.32	353.01	5.68	-78.64
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300012036945	0	40	0.0	-83.39	348.82	7.34	-76.05
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(C(F)F)=C2F)C=C1	REAL300012036946	0	40	0.0	-82.19	348.97	9.43	-72.76
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC3=C2COCC3)C=C1	REAL300012036947	0	45	0.0	-83.35	357.11	8.49	-74.86
CCOC1=CC=C(Cl)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036948	0	44	0.0	-78.02	377.10	9.29	-68.73
COC1=NN(C)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036949	0	41	0.0	-81.40	346.09	4.23	-77.17
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NC3=C(COCC3)S2)C=C1	REAL300012036950	0	41	0.0	-82.35	349.80	5.83	-76.52
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C=C1	REAL300012036951	0	44	0.0	-89.32	372.81	8.42	-80.90
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=C(CCCC3)O2)C=C1	REAL300012036952	0	44	0.0	-81.11	354.66	9.33	-71.78
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C=C1	REAL300012036953	0	39	0.0	-97.82	345.00	9.23	-88.59
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(C3CCCCC3)N=C2)C=C1	REAL300012036954	0	50	0.0	-83.14	395.04	9.55	-73.59
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)C=C1	REAL300012036955	0	44	0.0	-83.61	384.25	9.97	-73.64
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(F)C=C(Br)C=C2F)C=C1	REAL300012036956	0	37	0.0	-78.65	342.29	9.16	-69.49
CN(CCO)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300012036957	0	48	0.0	-85.10	389.95	6.06	-79.04
COC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=CC=C1C(C)(C)C	REAL300012036958	0	53	0.0	-77.82	403.83	10.24	-67.58
CN1C=C(Br)N=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036959	0	37	0.0	-86.79	331.74	7.35	-79.44
COC1=CC(C)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300012036960	0	43	0.0	-87.95	353.42	5.75	-82.20
COC1=CC(C)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1O	REAL300012036961	0	45	0.0	-86.52	365.43	6.23	-80.29
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C=C1	REAL300012036962	0	43	0.0	-88.60	367.13	7.60	-81.00
CN1C(=O)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300012036963	0	46	0.0	-84.32	376.86	9.27	-75.05
COC1=NC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1C	REAL300012036964	0	43	0.0	-83.40	357.68	5.89	-77.51
CCCN1C=NC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036965	0	43	0.0	-84.08	348.64	9.38	-74.70
CC1=CC(C)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=C1Br	REAL300012036966	0	46	0.0	-83.15	379.84	10.65	-72.50
O=C([O-])C1=CC=C(OCC[NH2+]CC=CC2=CC=C3OCOC3=C2)C=C1	REAL300012036967	0	44	0.0	-88.37	367.48	8.45	-79.92
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(CC3CCC3)C=C2)C=C1	REAL300012036968	0	50	0.0	-80.36	401.49	12.01	-68.35
CCC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=NN1CC	REAL300012036969	0	46	0.0	-82.54	369.74	8.41	-74.13
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(F)C=CC(Cl)=C2F)C=C1	REAL300012036970	0	37	0.0	-78.48	337.17	9.04	-69.44
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036971	0	54	0.0	-89.11	432.19	8.74	-80.37
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(C3CC3)=NN2)C=C1	REAL300012036972	0	41	0.0	-88.32	341.99	6.96	-81.36
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=NN2C2CC2(F)F)C=C1	REAL300012036973	0	41	0.0	-94.94	354.09	8.04	-86.90
COC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=CS1	REAL300012036974	0	38	0.0	-76.07	331.92	6.92	-69.15
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)=CO1	REAL300012036975	0	40	0.0	-81.02	349.72	8.28	-72.74
CC(F)(F)C1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036976	0	43	0.0	-84.69	363.59	10.02	-74.67
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C=C1	REAL300012036977	0	43	0.0	-87.67	373.31	9.27	-78.40
CN1C=C(C2=NNC=C2C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300012036978	0	44	0.0	-83.71	370.67	6.19	-77.52
CCCN1N=C(C)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1Cl	REAL300012036979	0	46	0.0	-80.87	391.83	8.76	-72.11
CC(C)(C#N)C1=NC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)S1	REAL300012036980	0	43	0.0	-86.68	377.05	7.83	-78.85
COC1=CC=C(Br)C(F)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036981	0	41	0.0	-77.53	364.43	8.49	-69.04
N#CC1=CC(F)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(Br)=C1	REAL300012036982	0	38	0.0	-83.37	354.56	9.39	-73.98
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(F)=CC(F)=C2F)C=C1	REAL300012036983	0	37	0.0	-86.89	327.59	8.68	-78.21
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C=C1	REAL300012036984	0	44	0.0	-83.90	375.95	10.92	-72.98
CC(C)(C)C1=NNC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036985	0	46	0.0	-87.38	372.35	7.33	-80.05
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C=C1	REAL300012036986	0	43	0.0	-86.94	368.05	11.13	-75.81
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2OC2CCCCC2)C=C1	REAL300012036987	0	54	0.0	-75.80	419.88	11.33	-64.47
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C=C1	REAL300012036988	0	48	0.0	-87.20	415.80	11.86	-75.34
C=CCC1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036989	0	44	0.0	-80.65	357.51	10.36	-70.29
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2COC2CCCCC2)C=C1	REAL300012036990	0	57	0.0	-84.42	440.52	12.01	-72.41
COC1=CC=CC(OC2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=C2)=C1	REAL300012036991	0	52	0.0	-89.80	428.58	10.64	-79.16
CCN1CCCC2=CC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300012036992	0	52	0.0	-81.27	399.32	9.51	-71.76
COCC1=CN=C(OC)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012036993	0	47	0.0	-81.84	390.27	5.04	-76.80
CN1N=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1Br	REAL300012036994	0	37	0.0	-80.40	333.11	6.71	-73.69
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012036995	0	52	0.0	-86.63	429.67	11.27	-75.36
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN=NN2C2CC2)C=C1	REAL300012036996	0	40	0.0	-94.36	336.88	6.51	-87.85
COC1=C(Br)C=CC(F)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036997	0	41	0.0	-77.51	365.53	8.56	-68.95
COCC1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012036998	0	44	0.0	-83.75	356.81	8.34	-75.41
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)C=C1	REAL300012036999	0	50	0.0	-88.58	419.46	13.21	-75.37
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C=C1	REAL300012037000	0	41	0.0	-87.01	366.78	9.95	-77.06
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)C=C1	REAL300012037001	0	50	0.0	-86.52	403.58	9.17	-77.35
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C3CCOCC3=C2)C=C1	REAL300012037002	0	45	0.0	-84.03	364.09	8.58	-75.45
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(CCO)N=C2)C=C1	REAL300012037003	0	41	0.0	-85.57	346.14	3.81	-81.76
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)SC2=CC(F)=CC=C12	REAL300012037004	0	43	0.0	-86.07	370.92	10.62	-75.45
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C=C1	REAL300012037005	0	43	0.0	-94.33	365.00	6.67	-87.66
COC1=CC=C(F)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1OC	REAL300012037006	0	45	0.0	-76.63	375.78	7.82	-68.81
CN1C=CC(C2=NNC=C2C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300012037007	0	44	0.0	-79.25	370.68	6.55	-72.70
CC1=CC=C(F)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1Br	REAL300012037008	0	40	0.0	-73.61	351.98	9.58	-64.03
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2OCCC2CCCCC2)C=C1	REAL300012037009	0	60	0.0	-76.19	462.53	12.79	-63.40
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(OCC3CCC3)=C2)C=C1	REAL300012037010	0	51	0.0	-81.59	409.98	10.85	-70.74
CC(F)(F)C1=CC=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037011	0	43	0.0	-77.04	350.85	10.02	-67.02
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC=C1OCCO	REAL300012037012	0	49	0.0	-90.70	402.35	5.53	-85.17
CCN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2CC2)=N1	REAL300012037013	0	47	0.0	-85.14	386.79	9.34	-75.80
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1OCCO	REAL300012037014	0	49	0.0	-91.17	402.35	5.53	-85.64
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2=CC=NN2C)=N1	REAL300012037015	0	47	0.0	-84.40	395.04	7.44	-76.96
CC(C)(C)C1=NOC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037016	0	45	0.0	-90.68	357.97	8.25	-82.43
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CN=CC=C3C=C2)C=C1	REAL300012037017	0	42	0.0	-89.81	351.38	8.97	-80.84
CC1=CC2=CC=CC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=C2O1	REAL300012037018	0	43	0.0	-79.69	359.61	9.64	-70.05
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C=C1	REAL300012037019	0	40	0.0	-86.46	344.17	9.60	-76.86
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)C=C1	REAL300012037020	0	44	0.0	-76.02	385.28	9.27	-66.75
COC1=CSC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1OC	REAL300012037021	0	42	0.0	-80.68	363.13	6.54	-74.14
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CON=C2C2CCC2)C=C1	REAL300012037022	0	43	0.0	-89.30	355.08	8.57	-80.73
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(Br)C=CC3=C2OCO3)C=C1	REAL300012037023	0	40	0.0	-76.38	354.49	7.64	-68.74
CS(=O)(=O)C1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)SC=C1	REAL300012037024	1	40	0.0	-89.32	352.43	5.13	-84.19
CS(=O)(=O)C1=COC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012037025	0	40	0.0	-92.50	354.20	4.09	-88.41
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C=C1	REAL300012037026	0	40	0.0	-85.28	354.67	9.53	-75.75
CC(C)OC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300012037027	0	47	0.0	-88.63	385.88	9.42	-79.21
CCN1C=C(Cl)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300012037028	1	40	0.0	-77.10	351.35	7.56	-69.54
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(F)C(Cl)=C2F)C=C1	REAL300012037029	0	37	0.0	-89.60	336.97	9.09	-80.51
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(C(F)F)=C2)C=C1	REAL300012037030	0	40	0.0	-82.34	344.54	9.43	-72.91
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C=C1	REAL300012037031	0	43	0.0	-80.47	360.90	10.75	-69.72
CS(=O)(=O)C1=CSC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012037032	0	40	0.0	-90.23	362.61	5.10	-85.13
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CSC(Cl)=C2)C=C1	REAL300012037033	0	34	0.0	-84.08	317.40	8.05	-76.03
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=NN1C1CCC1	REAL300012037034	0	47	0.0	-83.93	378.08	8.98	-74.95
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)C=C1	REAL300012037035	0	44	0.0	-87.04	385.94	10.23	-76.81
CC1=NN(C2CCCC2)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012037036	0	50	0.0	-88.91	398.47	9.58	-79.33
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=NN2CC(F)F)C=C1	REAL300012037037	0	40	0.0	-86.34	344.26	7.18	-79.16
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037038	0	47	0.0	-86.82	391.06	9.16	-77.66
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)C=C1	REAL300012037039	0	40	0.0	-85.37	351.88	9.96	-75.41
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(F)C=CN=C2Cl)C=C1	REAL300012037040	1	36	0.0	-78.65	324.90	7.10	-71.55
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C=C1	REAL300012037041	0	44	0.0	-87.58	375.61	9.77	-77.81
CN(C)C1=CN=CC(F)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037042	0	44	0.0	-78.15	364.20	6.58	-71.57
COC1=NC(C)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=C1Cl	REAL300012037043	0	46	0.0	-90.54	384.80	6.72	-83.82
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037044	1	46	0.0	-86.38	385.29	8.82	-77.56
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NN(C3CCC3)C=C2)C=C1	REAL300012037045	0	44	0.0	-79.53	358.61	8.18	-71.35
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NN(CC(F)F)C=C2)C=C1	REAL300012037046	0	40	0.0	-83.43	346.63	7.39	-76.04
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NN(C3CC3(F)F)C=C2)C=C1	REAL300012037047	0	41	0.0	-84.94	356.30	7.94	-77.00
CC1=NN(C2CCCCC2)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037048	0	53	0.0	-83.91	414.70	10.14	-73.77
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CN(C3CCOCC3)N=C2)C=C1	REAL300012037049	0	48	0.0	-84.77	385.80	7.14	-77.63
CC1=NN(C2CCOCC2)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037050	0	51	0.0	-84.66	405.40	7.73	-76.93
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NN(C3CCCC3)C=C2)C=C1	REAL300012037051	0	47	0.0	-79.29	376.16	8.85	-70.44
NS(=O)(=O)C1=CSC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012037052	0	39	0.0	-90.75	356.14	2.50	-88.25
O=C([O-])C1=CC=C(OCC[NH2+]CC2=NC=C(Cl)C=C2Cl)C=C1	REAL300012037053	0	36	0.0	-77.81	336.23	7.57	-70.24
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)C=C1	REAL300012037054	0	52	0.0	-94.53	415.09	7.94	-86.59
CC1=NN(C2CCCC2)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037055	0	50	0.0	-83.94	395.72	9.53	-74.41
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2C(F)F)C=C1	REAL300012037056	0	40	0.0	-77.27	334.04	9.47	-67.80
CC1=CC(Br)=C(F)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012037057	0	40	0.0	-83.96	356.90	9.80	-74.16
COC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1Br	REAL300012037058	0	41	0.0	-78.08	355.30	8.39	-69.69
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=CNN=C3C=C2)C=C1	REAL300012037059	0	40	0.0	-90.21	336.63	7.21	-83.00
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(Cl)C(F)=C2F)C=C1	REAL300012037060	0	37	0.0	-89.96	337.40	9.10	-80.86
CC1=C(F)C=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037061	0	40	0.0	-85.26	331.10	9.08	-76.18
CN1C=C(C2=CC=CC(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)=C2)C=N1	REAL300012037062	0	47	0.0	-86.14	390.50	9.78	-76.36
COC1=CC(F)=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1Br	REAL300012037063	0	41	0.0	-82.76	365.85	8.49	-74.27
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)C=C1	REAL300012037064	0	47	0.0	-105.12	396.94	10.90	-94.22
CC1=CC=C(Br)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037065	0	40	0.0	-83.43	346.51	9.73	-73.70
COC1=C(C#N)C=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037066	0	42	0.0	-88.69	360.15	8.31	-80.38
COC1=NC2=CC=C(C[NH2+]CCOC3=CC=C(C(=O)[O-])C=C3)C=C2S1	REAL300012037067	0	43	0.0	-91.12	374.79	6.31	-84.81
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=NC(Br)=C2)C=C1	REAL300012037068	0	36	0.0	-90.36	326.72	7.22	-83.14
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(F)=CC(Cl)=C2Cl)C=C1	REAL300012037069	0	37	0.0	-84.26	343.80	9.50	-74.76
CC1=NC(Cl)=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037070	0	39	0.0	-90.24	337.18	7.72	-82.52
CC(C)(C)COC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012037071	0	53	0.0	-81.24	422.17	10.83	-70.41
COC1=CC(Cl)=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012037072	0	41	0.0	-84.89	356.61	8.30	-76.59
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)C=C1	REAL300012037073	0	40	0.0	-89.07	361.95	9.84	-79.23
COC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CC(F)=C1F	REAL300012037074	0	41	0.0	-95.89	352.40	7.92	-87.97
COC1=CC(C)=NC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037075	0	43	0.0	-79.62	355.63	6.69	-72.93
CC(C)N1C=NC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012037076	0	43	0.0	-78.66	353.88	9.06	-69.60
CN1N=CC=C1C1=NNC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037077	0	44	0.0	-85.75	372.95	6.09	-79.66
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2CC2)=NO1	REAL300012037078	0	43	0.0	-88.81	359.64	8.89	-79.92
COC(=O)C1=C(C)NC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300012037079	0	47	0.0	-92.01	394.06	8.18	-83.83
CC(C)OC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)O1	REAL300012037080	0	44	0.0	-84.06	366.29	8.72	-75.34
CC1=CC(Br)=CC(C)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037081	0	43	0.0	-84.94	364.84	10.17	-74.77
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(O)C=CC(F)=C2Br)C=C1	REAL300012037082	0	38	0.0	-80.11	343.84	6.22	-73.89
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(Cl)C=CC3=C2OCO3)C=C1	REAL300012037083	0	40	0.0	-76.84	350.46	7.56	-69.28
N#CC1=CC(F)=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012037084	0	38	0.0	-94.51	337.65	8.95	-85.56
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3CCCCC3)C=C2)C=C1	REAL300012037085	0	53	0.0	-80.54	412.23	12.30	-68.24
COC1=CC=CC=C1C=CC[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037086	0	45	0.0	-81.33	369.79	9.15	-72.18
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)SC(Br)=C1	REAL300012037087	0	37	0.0	-83.54	340.80	8.91	-74.63
CC1=NN(C2CCC2)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037088	0	47	0.0	-84.38	378.12	8.87	-75.51
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=NN1CC(F)F	REAL300012037089	0	43	0.0	-85.03	364.51	7.90	-77.13
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C=C1	REAL300012037090	0	45	0.0	-90.01	379.57	8.83	-81.18
CCCN1N=C(C)C(Cl)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037091	0	46	0.0	-87.15	392.77	8.77	-78.38
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037092	0	49	0.0	-91.05	408.51	10.58	-80.47
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037093	0	44	0.0	-92.80	373.68	7.74	-85.06
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C=C1	REAL300012037094	0	50	0.0	-81.85	413.17	12.96	-68.89
CCCCC(=O)NC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012037095	0	53	0.0	-86.41	430.04	9.75	-76.66
COC1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=N1	REAL300012037096	0	43	0.0	-87.65	352.49	5.78	-81.87
CCN(C)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300012037097	0	51	0.0	-79.49	398.46	10.47	-69.02
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Cl)=CN=C2Br)C=C1	REAL300012037098	0	36	0.0	-84.12	337.66	7.68	-76.44
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C(Cl)C(Cl)=CS2)C=C1	REAL300012037099	0	34	0.0	-80.33	331.83	8.53	-71.80
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037100	0	58	0.0	-81.88	439.32	10.67	-71.21
COC1=CC(C)=CC(OC)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037101	0	48	0.0	-72.14	388.09	7.87	-64.27
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(CF)C=C2)C=C1	REAL300012037102	0	40	0.0	-83.70	338.36	9.31	-74.39
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C=C1	REAL300012037103	0	41	0.0	-89.89	372.40	8.84	-81.05
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C=C1	REAL300012037104	0	47	0.0	-87.93	398.95	11.32	-76.61
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C3SC=CC3=C2)C=C1	REAL300012037105	0	40	0.0	-86.60	347.30	9.87	-76.73
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C=C1	REAL300012037106	0	46	0.0	-87.55	379.79	10.16	-77.39
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2CO)C=C1	REAL300012037107	0	41	0.0	-85.42	334.56	5.94	-79.48
CC1=NSC(C)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037108	0	39	0.0	-88.36	332.93	7.33	-81.03
CC(C)(C)C1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=NO1	REAL300012037109	0	45	0.0	-85.19	353.58	8.54	-76.65
CC1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1C(F)(F)F	REAL300012037110	0	43	0.0	-80.92	355.26	10.10	-70.82
C=CCN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300012037111	0	41	0.0	-83.97	347.52	7.72	-76.25
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=NNC=C3C=C2)C=C1	REAL300012037112	0	40	0.0	-85.89	336.63	7.21	-78.68
CCC(C)C1=CC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300012037113	0	49	0.0	-80.51	389.05	11.09	-69.42
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=NC=C(Br)C=C3O2)C=C1	REAL300012037114	0	39	0.0	-90.02	354.33	7.80	-82.22
O=C([O-])C1=CC=C(OCC[NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)C=C1	REAL300012037115	0	42	0.0	-86.12	376.13	8.84	-77.28
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC3=C(CCOC3)N=C2Cl)C=C1	REAL300012037116	0	44	0.0	-86.72	371.31	7.14	-79.58
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037117	0	50	0.0	-86.89	409.85	11.02	-75.87
CC(F)(F)C1=CC=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300012037118	0	42	0.0	-87.24	359.48	8.45	-78.79
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Br)=CC(F)=C2F)C=C1	REAL300012037119	0	37	0.0	-85.95	342.48	9.22	-76.73
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC3=C2CCCC3)C=C1	REAL300012037120	0	47	0.0	-81.87	365.72	10.86	-71.01
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)C=C1	REAL300012037121	0	39	0.0	-96.41	359.89	9.78	-86.63
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037122	0	44	0.0	-87.01	370.87	10.40	-76.61
COC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=CC(Br)=C1F	REAL300012037123	0	41	0.0	-87.41	366.75	8.56	-78.85
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC(C(F)(F)F)=C2F)C=C1	REAL300012037124	0	40	0.0	-84.97	353.86	9.52	-75.45
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C=C1	REAL300012037125	0	43	0.0	-95.65	362.75	8.41	-87.24
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C=CC2=CC=CC=C21	REAL300012037126	0	46	0.0	-83.66	367.35	11.24	-72.42
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037127	0	55	0.0	-83.80	435.57	10.14	-73.66
COC1=C2C=CNC2=CC=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037128	0	45	0.0	-79.66	371.32	7.91	-71.75
CC1=NC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C(C)S1	REAL300012037129	0	39	0.0	-78.07	335.84	6.91	-71.16
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C=C1	REAL300012037130	0	50	0.0	-83.75	397.98	5.50	-78.25
COC1=CC=C(OC)C(OC)=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037131	0	49	0.0	-75.18	398.62	7.12	-68.06
CCCN1N=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300012037132	0	46	0.0	-84.15	375.05	8.35	-75.80
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)C=C1	REAL300012037133	0	54	0.0	-72.58	418.71	10.34	-62.24
O=C([O-])C1=CC=C(OCC[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)C=C1	REAL300012037134	0	51	0.0	-82.28	423.96	12.01	-70.27
CC1=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C2=NC=CC=C2C=C1	REAL300012037135	0	45	0.0	-75.31	366.26	9.58	-65.73
CC1=CC(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=CN=C1N1C=CC=N1	REAL300012037136	0	46	0.0	-92.66	381.94	9.82	-82.84
COC(=O)C1=CN(C)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300012037137	0	44	0.0	-90.74	372.30	8.62	-82.12
COC1=CC=C(Br)C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)=C1O	REAL300012037138	0	42	0.0	-77.87	367.36	6.16	-71.71
CCCN1N=C(C)C=C1C[NH2+]CCOC1=CC=C(C(=O)[O-])C=C1	REAL300012037139	0	46	0.0	-87.48	371.52	8.35	-79.13
CN1C=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)C(C2CCC2)=N1	REAL300012037140	0	47	0.0	-85.68	381.54	8.90	-76.78
CC(C)(C)C1=NC=C(C[NH2+]CCOC2=CC=C(C(=O)[O-])C=C2)O1	REAL300012037141	0	45	0.0	-84.55	369.57	5.99	-78.56
CC1=CC=C(N2C=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)C(C(C)(C)C)=N2)C=C1	REAL300012037142	0	58	0.0	-65.96	428.16	12.32	-53.64
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OCC1=CC=CC=C1	REAL300012037143	0	54	0.0	-69.69	419.65	11.34	-58.35
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037144	0	46	0.0	-64.82	379.63	10.23	-54.59
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CC=C2)C1	REAL300012037145	0	53	0.0	-67.39	414.68	12.73	-54.66
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Br)O2)C1	REAL300012037146	0	33	0.0	-64.48	282.37	7.04	-57.44
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OCC1=CC=C(F)C=C1	REAL300012037147	0	54	0.0	-70.19	426.85	11.42	-58.77
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=C2)C=C1	REAL300012037148	0	54	0.0	-73.22	420.63	9.48	-63.74
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(NC(=O)C3=CC=CC=C3Cl)=CC=C2)C1	REAL300012037149	0	50	0.0	-73.84	404.52	10.69	-63.15
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037150	0	46	0.0	-68.46	358.36	9.90	-58.56
N#CCCN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300012037151	0	50	0.0	-71.87	401.00	10.68	-61.19
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OC(F)F	REAL300012037152	0	44	0.0	-69.55	348.43	7.66	-61.89
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CN=C2)C1	REAL300012037153	0	52	0.0	-67.11	409.53	10.94	-56.17
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=C(Br)C=C3)O2)C1	REAL300012037154	0	43	0.0	-65.17	360.67	10.67	-54.50
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC(Br)=C1OC	REAL300012037155	0	47	0.0	-70.79	384.09	9.03	-61.76
CCOC1=C(Br)C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300012037156	0	47	0.0	-70.69	384.08	9.07	-61.62
C=CCOC1=C(Br)C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300012037157	0	48	0.0	-71.03	396.99	9.64	-61.39
CCCOC1=CC=C(Br)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037158	0	46	0.0	-58.99	371.94	9.87	-49.12
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OC	REAL300012037159	0	47	0.0	-68.10	360.53	8.30	-59.80
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)C1	REAL300012037160	0	50	0.0	-58.22	389.04	11.51	-46.71
CCCCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037161	0	52	0.0	-64.19	395.78	10.77	-53.42
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)C1	REAL300012037162	0	45	0.0	-70.99	368.37	10.74	-60.25
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)C1	REAL300012037163	0	45	0.0	-71.77	367.56	10.71	-61.06
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1Br	REAL300012037164	0	40	0.0	-67.21	329.06	8.12	-59.09
CCCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300012037165	0	53	0.0	-67.89	403.52	9.88	-58.01
CCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300012037166	0	50	0.0	-67.90	382.03	9.10	-58.80
C=CCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300012037167	0	48	0.0	-68.45	373.43	8.88	-59.57
CCCCCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300012037168	0	59	0.0	-67.61	446.52	11.44	-56.17
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)C1	REAL300012037169	0	43	0.0	-65.04	356.10	10.56	-54.48
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)C1	REAL300012037170	0	43	0.0	-63.44	356.26	10.60	-52.84
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC(Br)=C3)O2)C1	REAL300012037171	0	43	0.0	-64.91	361.47	10.67	-54.24
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)C1	REAL300012037172	0	43	0.0	-63.97	364.50	11.47	-52.50
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300012037173	0	46	0.0	-66.84	364.17	9.85	-56.99
CCC1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300012037174	0	45	0.0	-63.74	345.01	10.13	-53.61
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC(OC)=C1OCC1=CC=CC=C1	REAL300012037175	0	58	0.0	-72.77	453.60	11.29	-61.48
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)C1	REAL300012037176	0	45	0.0	-67.99	363.52	11.33	-56.66
CN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012037177	0	55	0.0	-71.66	422.28	9.28	-62.38
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300012037178	0	42	0.0	-63.21	350.38	9.02	-54.19
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2OC(F)(F)F)C1	REAL300012037179	0	40	0.0	-61.59	324.62	8.03	-53.56
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(SC(F)(F)F)C=C2)C1	REAL300012037180	0	40	0.0	-66.98	336.33	9.65	-57.33
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C([N+](=O)[O-])C=C1O	REAL300012037181	0	43	0.0	-68.55	339.14	5.85	-62.70
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300012037182	0	40	0.0	-67.11	325.93	7.98	-59.13
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S2)C1	REAL300012037183	0	45	0.0	-70.48	375.95	11.63	-58.85
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)C1	REAL300012037184	0	45	0.0	-67.33	376.42	11.69	-55.64
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C1	REAL300012037185	0	43	0.0	-69.52	342.01	8.09	-61.43
CC1=CC=C(C2=NNC=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037186	0	46	0.0	-66.12	356.99	8.69	-57.43
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CNN=C2C2=CC=CS2)C1	REAL300012037187	0	40	0.0	-62.39	322.83	7.29	-55.10
COC1=CC=C(C2=NNC=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037188	0	47	0.0	-67.72	365.06	7.31	-60.41
CCOC1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)=NN1CC(C)C	REAL300012037189	0	55	0.0	-59.62	406.09	8.26	-51.36
CC1=CC=C(C2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)O2)C=C1	REAL300012037190	0	46	0.0	-63.89	360.79	10.72	-53.17
CC1=CC=C(C2=NNC=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)O1	REAL300012037191	0	43	0.0	-63.15	340.97	7.29	-55.86
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CNN=C2C2=CC=CN=C2)C1	REAL300012037192	0	42	0.0	-70.71	330.28	6.26	-64.45
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)C1	REAL300012037193	0	49	0.0	-71.23	380.19	7.16	-64.07
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OCC3CCCO3)C=C2)C1	REAL300012037194	0	51	0.0	-67.00	388.36	8.87	-58.13
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)C1	REAL300012037195	0	43	0.0	-64.52	354.17	11.02	-53.50
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)C1	REAL300012037196	0	49	0.0	-62.05	381.81	9.80	-52.25
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037197	0	45	0.0	-64.77	350.04	7.16	-57.61
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C1	REAL300012037198	0	42	0.0	-73.49	333.22	10.71	-62.78
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=C(Br)C=C3)S2)C1	REAL300012037199	0	43	0.0	-64.03	369.06	11.58	-52.45
CC(C)N1N=CC2=CC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=C(Cl)N=C21	REAL300012037200	0	47	0.0	-68.71	377.97	9.27	-59.44
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)C1	REAL300012037201	0	43	0.0	-63.12	364.69	11.47	-51.65
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OCC1=CC=NC=C1	REAL300012037202	0	53	0.0	-71.62	415.32	9.58	-62.04
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)C1	REAL300012037203	0	43	0.0	-63.95	357.14	11.13	-52.82
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3Br)S2)C1	REAL300012037204	0	43	0.0	-63.10	368.27	11.55	-51.55
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)C1	REAL300012037205	0	39	0.0	-61.30	329.70	9.64	-51.66
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)C1	REAL300012037206	0	39	0.0	-72.70	323.45	9.21	-63.49
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O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CSC(C3=CSC=C3)=N2)C1	REAL300012037241	0	39	0.0	-61.52	335.80	7.90	-53.62
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CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037243	0	50	0.0	-62.75	386.22	9.05	-53.70
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CCOC1=C(OC)C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300012037253	0	51	0.0	-71.89	392.90	8.23	-63.66
COCCCOC1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037254	0	50	0.0	-64.63	385.66	8.26	-56.37
COC1=CC=C(OC(F)F)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037255	0	44	0.0	-62.98	346.50	7.07	-55.91
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(Br)=C2OC(F)F)C1	REAL300012037256	0	40	0.0	-63.14	334.14	8.43	-54.71
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CC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OC1=CC=CN=C1	REAL300012037259	0	49	0.0	-66.99	384.43	10.04	-56.95
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CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)S2)C=C1	REAL300012037261	0	45	0.0	-64.94	366.36	9.88	-55.06
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C1	REAL300012037262	0	41	0.0	-59.10	336.41	9.22	-49.88
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(F)C3=CC=CN=C23)C1	REAL300012037263	0	41	0.0	-62.19	324.58	8.73	-53.46
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(F)=CC3=CC=CN=C32)C1	REAL300012037264	0	41	0.0	-60.14	326.11	8.78	-51.36
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C1	REAL300012037265	0	41	0.0	-61.52	333.42	9.10	-52.42
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)C1	REAL300012037266	0	43	0.0	-65.15	353.87	10.21	-54.94
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)O1	REAL300012037267	0	46	0.0	-65.45	364.97	10.81	-54.64
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)O2)C=C1	REAL300012037268	0	49	0.0	-63.78	382.27	11.49	-52.29
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(OC(F)F)=C1	REAL300012037269	0	44	0.0	-66.20	346.52	7.09	-59.11
COC1=CC=C2OC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=CC2=C1	REAL300012037270	0	43	0.0	-67.03	336.49	7.98	-59.05
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C1	REAL300012037271	0	44	0.0	-67.00	346.70	9.95	-57.05
CC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1Br	REAL300012037272	0	39	0.0	-64.16	318.63	9.35	-54.81
CC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300012037273	0	39	0.0	-65.75	318.63	9.34	-56.41
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Cl)=CC3=C2OCC3)C1	REAL300012037274	0	41	0.0	-60.18	331.63	8.49	-51.69
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)O2)C=C1	REAL300012037275	0	55	0.0	-63.47	415.49	12.38	-51.09
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037276	0	56	0.0	-56.57	402.58	11.32	-45.25
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037277	0	56	0.0	-59.50	421.57	11.27	-48.23
CC1=CC=CC(COC2=C(C)C=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)C=C2C)=C1	REAL300012037278	0	59	0.0	-66.03	455.90	13.73	-52.30
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300012037279	0	59	0.0	-66.09	449.18	13.67	-52.42
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037280	0	54	0.0	-62.21	414.72	12.95	-49.26
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037281	0	52	0.0	-66.75	418.95	11.31	-55.44
CCN(CC)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300012037282	0	50	0.0	-67.39	379.60	9.34	-58.05
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C(SC)C=C1OC	REAL300012037283	0	48	0.0	-62.15	373.50	8.29	-53.86
COC1=CC=C2N=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)SC2=C1	REAL300012037284	0	42	0.0	-64.52	340.78	6.97	-57.55
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037285	0	42	0.0	-68.97	343.91	9.05	-59.92
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(SC(F)F)C=C2)C1	REAL300012037286	0	40	0.0	-66.16	329.75	9.45	-56.71
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C1	REAL300012037287	0	40	0.0	-70.55	324.61	7.82	-62.73
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037288	0	42	0.0	-66.96	332.70	9.76	-57.20
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300012037289	0	44	0.0	-71.02	357.85	8.00	-63.02
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OC(C)C(=O)N(C)C	REAL300012037290	0	60	0.0	-79.78	451.47	10.02	-69.76
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Br)=CC=C2OC(F)F)C1	REAL300012037291	0	40	0.0	-63.82	338.32	8.42	-55.40
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037292	0	52	0.0	-62.18	420.20	11.34	-50.84
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OCC(C)C	REAL300012037293	0	53	0.0	-67.58	402.13	9.78	-57.80
CCCOC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OC	REAL300012037294	0	50	0.0	-67.87	382.03	9.10	-58.77
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Br)S2)C1	REAL300012037295	0	33	0.0	-63.93	291.83	8.02	-55.91
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300012037296	0	47	0.0	-70.92	379.70	8.92	-62.00
COC1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1OC(C)C	REAL300012037297	0	50	0.0	-61.13	375.22	9.09	-52.04
CCOC1=C(Cl)C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300012037298	0	47	0.0	-70.87	379.70	8.96	-61.91
CCCOC1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=CC=C1OCC	REAL300012037299	0	53	0.0	-61.41	403.84	10.19	-51.22
CCCCOC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OC	REAL300012037300	0	53	0.0	-67.88	403.53	9.88	-58.00
CCCOC1=C(Cl)C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OCC	REAL300012037301	0	53	0.0	-70.75	423.06	10.68	-60.07
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037302	0	52	0.0	-63.39	414.98	11.78	-51.61
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC(F)F	REAL300012037303	0	44	0.0	-66.58	348.43	7.67	-58.91
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OC(F)F	REAL300012037304	0	47	0.0	-69.40	370.29	8.58	-60.82
CC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC(C)=C1OC(F)F	REAL300012037305	0	46	0.0	-66.42	357.69	9.21	-57.21
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CSC(C3=CC=CC(Br)=C3)=N2)C1	REAL300012037306	0	42	0.0	-62.94	366.07	9.58	-53.36
CCOC1=CC2=C(C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1)OC(C)C2	REAL300012037307	0	51	0.0	-58.75	385.94	9.04	-49.71
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC2=C1OCCO2	REAL300012037308	0	46	0.0	-69.99	353.63	7.21	-62.78
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1	REAL300012037309	0	45	0.0	-70.13	373.90	9.59	-60.54
CCCCN1N=C(C)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1Cl	REAL300012037310	0	48	0.0	-61.48	382.88	9.23	-52.25
CCOC1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1OC(F)F	REAL300012037311	0	47	0.0	-61.56	367.96	8.64	-52.92
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2OCC(=O)N2CCCC2)C1	REAL300012037312	0	54	0.0	-62.65	413.39	10.33	-52.32
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2C2=CC=CC=C2)C1	REAL300012037313	0	56	0.0	-67.52	439.97	13.20	-54.32
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C1	REAL300012037314	0	43	0.0	-62.92	347.78	10.96	-51.96
CCCOC1=C(Cl)C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300012037315	0	50	0.0	-70.82	401.20	9.76	-61.06
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037316	0	58	0.0	-64.04	429.18	12.20	-51.84
CC(C)(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037317	0	55	0.0	-60.44	422.39	11.86	-48.58
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037318	0	55	0.0	-61.48	440.76	11.96	-49.52
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)C1	REAL300012037319	0	43	0.0	-67.04	354.88	10.25	-56.79
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037320	0	59	0.0	-67.62	448.83	10.63	-56.99
CN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2CCCCC2)=N1	REAL300012037321	0	52	0.0	-65.63	385.98	9.69	-55.94
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037322	0	55	0.0	-65.96	423.11	12.45	-53.51
CC1(C)CCC2=C(C1)SC(C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1)=N2	REAL300012037323	0	48	0.0	-60.19	363.35	8.81	-51.38
CC1=C(C)C=C2OC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=CC2=C1	REAL300012037324	0	45	0.0	-64.96	346.79	9.92	-55.04
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)C1	REAL300012037325	0	43	0.0	-68.67	352.30	8.53	-60.14
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OCC1=C(C)ON=C1C	REAL300012037326	0	56	0.0	-73.54	437.72	10.13	-63.41
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C1	REAL300012037327	0	43	0.0	-64.42	347.80	10.17	-54.25
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Cl)=C3OCCOC3=C2)C1	REAL300012037328	0	42	0.0	-68.71	340.40	7.88	-60.83
CCCCC1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300012037329	0	51	0.0	-64.02	388.05	11.68	-52.34
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C1	REAL300012037330	0	49	0.0	-73.90	386.77	12.85	-61.05
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OCC1=CC=CS1	REAL300012037331	0	51	0.0	-69.54	410.67	10.43	-59.11
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037332	0	49	0.0	-68.16	384.04	10.37	-57.79
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300012037333	0	45	0.0	-70.59	358.84	8.67	-61.92
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(OCC3=CC=CC=C3Cl)=C2)C1	REAL300012037334	0	50	0.0	-64.43	403.56	12.02	-52.41
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1	REAL300012037335	0	45	0.0	-63.97	330.49	9.17	-54.80
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)C1	REAL300012037336	0	43	0.0	-73.33	356.29	8.92	-64.41
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)C1	REAL300012037337	0	42	0.0	-70.36	356.35	8.77	-61.59
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C1	REAL300012037338	0	42	0.0	-73.49	355.42	8.55	-64.94
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(O)C=CC(Cl)=C2F)C1	REAL300012037339	1	37	0.0	-61.26	311.11	5.91	-55.35
CC1=CC(Br)=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1OC(F)F	REAL300012037340	0	43	0.0	-60.42	354.38	9.01	-51.41
CCN1N=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C21	REAL300012037341	0	45	0.0	-63.37	350.89	8.94	-54.43
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Br)=C(Cl)S2)C1	REAL300012037342	0	33	0.0	-66.36	307.65	8.49	-57.87
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300012037343	0	53	0.0	-78.61	415.45	13.13	-65.48
COC1=CC=C(C2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)O2)C([N+](=O)[O-])=C1	REAL300012037344	0	49	0.0	-69.04	392.93	10.62	-58.42
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)O2)C1	REAL300012037345	0	43	0.0	-66.43	372.05	11.03	-55.40
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OC3=CC=C(F)C=C3)C([N+](=O)[O-])=C2)C1	REAL300012037346	0	49	0.0	-82.50	400.98	12.39	-70.11
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037347	0	49	0.0	-62.26	398.78	10.66	-51.60
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037348	0	49	0.0	-62.62	413.08	11.13	-51.49
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2C2=CC=CS2)C1	REAL300012037349	0	53	0.0	-63.83	428.00	12.49	-51.34
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2C2=CC=CN=C2)C1	REAL300012037350	0	55	0.0	-66.83	434.96	11.39	-55.44
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037351	0	46	0.0	-65.39	390.03	10.68	-54.71
CC1=NN(CC2=CC=C(Cl)C=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037352	0	49	0.0	-62.90	415.51	11.18	-51.72
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OC(C)C	REAL300012037353	0	50	0.0	-67.77	378.46	8.92	-58.85
CCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OCC	REAL300012037354	0	53	0.0	-67.86	403.88	10.02	-57.84
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037355	0	49	0.0	-63.58	405.19	10.73	-52.85
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Br)C(Br)=C2)C1	REAL300012037356	0	36	0.0	-69.06	319.39	9.33	-59.73
CCCCCCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037357	0	58	0.0	-64.10	438.78	12.33	-51.77
CC(C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012037358	0	57	0.0	-62.34	412.11	12.51	-49.83
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Br)C=CS2)C1	REAL300012037359	0	33	0.0	-57.55	288.80	7.80	-49.75
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2N2CCOCC2)C1	REAL300012037360	0	49	0.0	-59.83	363.71	7.72	-52.11
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(F)=CC=C2Br)C1	REAL300012037361	0	36	0.0	-59.94	301.82	8.77	-51.17
CC1=CC=C(C2=CC=CC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=C2)C=C1	REAL300012037362	0	49	0.0	-64.70	374.75	12.24	-52.46
COC1=CC=C(Br)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037363	0	40	0.0	-57.65	324.07	8.03	-49.62
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300012037364	0	42	0.0	-79.39	335.45	8.92	-70.47
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300012037365	0	36	0.0	-66.91	313.40	9.19	-57.72
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Br)=CO2)C1	REAL300012037366	0	33	0.0	-64.43	282.39	6.95	-57.48
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037367	0	49	0.0	-63.86	375.94	12.26	-51.60
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C1	REAL300012037368	0	42	0.0	-71.87	357.73	10.18	-61.69
CCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OCC	REAL300012037369	0	50	0.0	-68.07	382.39	9.22	-58.85
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300012037370	0	39	0.0	-71.63	331.02	9.57	-62.06
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(F)C=C2Br)C1	REAL300012037371	0	36	0.0	-62.60	301.82	8.77	-53.83
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300012037372	0	40	0.0	-66.82	325.14	7.96	-58.86
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037373	0	50	0.0	-64.83	387.36	11.22	-53.61
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)C1	REAL300012037374	0	46	0.0	-66.00	379.21	11.08	-54.92
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300012037375	0	46	0.0	-65.44	348.47	9.65	-55.79
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(Br)=C1O	REAL300012037376	0	41	0.0	-63.87	334.82	5.88	-57.99
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CSC(Br)=C2)C1	REAL300012037377	0	33	0.0	-64.90	291.59	7.86	-57.04
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OCC1=CC=CN=C1	REAL300012037378	0	53	0.0	-72.09	415.27	9.57	-62.52
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)S2)C1	REAL300012037379	0	43	0.0	-65.25	379.66	11.93	-53.32
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Cl)=CC=C2OCC2=CC=CN=C2)C1	REAL300012037380	0	49	0.0	-63.95	400.54	10.23	-53.72
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)C=C1OC	REAL300012037381	0	54	0.0	-62.93	411.14	10.75	-52.18
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300012037382	0	46	0.0	-64.65	354.15	11.59	-53.06
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C1	REAL300012037383	0	49	0.0	-61.87	383.88	9.73	-52.14
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(N3CCCC3)N=C2)C1	REAL300012037384	0	47	0.0	-66.69	353.85	8.09	-58.60
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Br)C(F)=C2)C1	REAL300012037385	0	36	0.0	-70.36	306.14	8.84	-61.52
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C1	REAL300012037386	0	45	0.0	-63.85	350.79	10.04	-53.81
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C1	REAL300012037387	0	45	0.0	-66.68	348.37	9.81	-56.87
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C1	REAL300012037388	0	45	0.0	-68.21	349.35	9.84	-58.37
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037389	0	51	0.0	-63.88	373.92	8.72	-55.16
CN1CCN(C2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300012037390	1	53	0.0	-63.17	389.14	6.89	-56.28
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C1	REAL300012037391	0	45	0.0	-69.48	361.15	6.69	-62.79
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C1	REAL300012037392	0	43	0.0	-70.03	344.37	9.44	-60.59
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037393	0	49	0.0	-67.67	394.34	10.82	-56.85
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C1	REAL300012037394	0	43	0.0	-69.49	354.70	9.90	-59.59
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037395	0	49	0.0	-70.78	390.65	10.52	-60.26
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Cl)N=C(SC3=CC=CC=C3)S2)C1	REAL300012037396	0	43	0.0	-62.69	382.99	10.07	-52.62
CC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC(C)=C1OCC1=CC=CC=N1	REAL300012037397	0	55	0.0	-67.03	425.76	11.27	-55.76
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300012037398	0	43	0.0	-67.86	350.86	8.87	-58.99
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OCC1=CC=CC=C1	REAL300012037399	0	57	0.0	-69.36	442.30	12.27	-57.09
COC1=C2OC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=CC2=CC=C1	REAL300012037400	0	43	0.0	-66.99	337.31	7.99	-59.00
CC(C)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300012037401	0	47	0.0	-74.36	364.99	10.68	-63.68
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Br)=C3OCOC3=C2)C1	REAL300012037402	0	39	0.0	-71.11	327.30	7.46	-63.65
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CC(C)COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037448	0	49	0.0	-64.04	372.89	9.91	-54.13
COCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037449	0	47	0.0	-66.43	364.91	7.68	-58.75
CC(C)(C)N1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2=CC=CC=C2Cl)=N1	REAL300012037450	0	55	0.0	-65.68	433.37	11.88	-53.80
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CC(C)COC1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037456	0	49	0.0	-62.65	372.09	9.88	-52.77
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CC1(C)CC2=CC=CC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=C2O1	REAL300012037458	0	47	0.0	-58.23	356.38	9.39	-48.84
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CC1=C(Br)SC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037461	0	36	0.0	-63.83	310.63	8.60	-55.23
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CCCCOC1=CC=CC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037470	0	49	0.0	-57.50	372.13	10.03	-47.47
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CC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C(OC(F)F)C=C1C	REAL300012037472	0	46	0.0	-62.18	355.37	9.00	-53.18
COC1=CC(C)=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300012037473	0	47	0.0	-66.39	352.62	7.97	-58.42
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CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037475	0	42	0.0	-69.11	343.98	9.04	-60.07
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O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CNN=C2C2=CSC=C2)C1	REAL300012037478	0	40	0.0	-65.36	326.19	7.01	-58.35
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COC1=CC=CC(SC2=CC=CC=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037602	0	51	0.0	-60.59	405.54	11.49	-49.10
CC1=CC=C(OC(F)F)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037603	0	43	0.0	-62.42	339.24	8.48	-53.94
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COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037606	0	53	0.0	-59.21	404.72	11.66	-47.55
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300012037607	0	47	0.0	-59.24	377.54	10.55	-48.69
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC(OC)=C1OCC(F)F	REAL300012037608	0	51	0.0	-75.78	405.92	8.53	-67.25
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=NC3=C(Br)C=CC=C23)C1	REAL300012037609	0	41	0.0	-73.48	336.03	9.14	-64.34
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN=C(C3CCCC3)S2)C1	REAL300012037610	0	45	0.0	-63.09	351.05	8.79	-54.30
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O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN=C(C3=CC=CO3)S2)C1	REAL300012037612	0	39	0.0	-67.00	326.93	7.25	-59.75
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Br)C(Cl)=C2)C1	REAL300012037613	0	36	0.0	-69.06	315.26	9.24	-59.82
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)C1	REAL300012037614	0	48	0.0	-65.13	388.73	10.68	-54.45
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OC(F)(F)F)C(Br)=C2)C1	REAL300012037615	0	40	0.0	-69.75	345.56	8.62	-61.13
CN1C=C(C2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)C=C2)C=N1	REAL300012037616	0	46	0.0	-67.80	359.26	9.48	-58.32
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C1	REAL300012037617	0	47	0.0	-66.88	376.75	11.18	-55.70
CN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2=CC=C(F)C=C2)=N1	REAL300012037618	0	46	0.0	-68.96	365.05	9.38	-59.58
CN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2=CC=C(C#N)C=C2)=N1	REAL300012037619	0	47	0.0	-73.12	379.52	9.71	-63.41
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300012037620	0	50	0.0	-66.58	390.01	11.41	-55.17
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN=C(C3CCCO3)S2)C1	REAL300012037621	0	43	0.0	-65.92	342.87	6.41	-59.51
CC1=CC=CC=C1N1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)N=N1	REAL300012037622	0	45	0.0	-66.68	353.98	8.89	-57.79
CN1N=C(Br)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037623	0	36	0.0	-71.30	301.46	6.23	-65.07
CN1C=C(C2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)S2)C=N1	REAL300012037624	0	43	0.0	-65.91	353.09	8.85	-57.06
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C3OCCCCOC3=C2)C1	REAL300012037625	0	48	0.0	-67.71	359.00	9.07	-58.64
CCOC1=C(Cl)C=CC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037626	0	43	0.0	-62.25	346.57	9.10	-53.15
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(F)C(Cl)=C2Cl)C1	REAL300012037627	0	36	0.0	-66.25	312.05	9.15	-57.10
COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037628	0	47	0.0	-66.03	365.52	8.55	-57.48
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300012037629	0	40	0.0	-56.99	329.10	8.04	-48.95
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)C1	REAL300012037630	0	43	0.0	-67.60	341.75	9.12	-58.48
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3Br)C=C2)C1	REAL300012037631	0	46	0.0	-64.64	376.56	12.23	-52.41
CC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2=CN(C)N=C2)=C1	REAL300012037632	0	49	0.0	-58.78	377.98	10.00	-48.78
CC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2=CC=NN2C)=C1	REAL300012037633	0	49	0.0	-62.47	372.86	9.67	-52.80
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)C1	REAL300012037634	0	46	0.0	-71.04	377.47	10.40	-60.64
CC1=CC(Br)=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300012037635	0	39	0.0	-58.36	330.05	9.84	-48.52
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)C1	REAL300012037636	0	46	0.0	-62.29	378.48	10.13	-52.16
N#CCCN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2=CC=NC=C2)=N1	REAL300012037637	0	49	0.0	-75.47	396.08	8.95	-66.52
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)C1	REAL300012037638	0	42	0.0	-60.10	340.21	11.75	-48.35
COC(=O)C1=C(C)N(C)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037639	0	46	0.0	-71.62	357.18	8.66	-62.96
COCCOCC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037640	0	50	0.0	-65.29	389.68	8.13	-57.16
CSCC1=CN=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)S1	REAL300012037641	0	39	0.0	-62.28	330.55	7.32	-54.96
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CSC=C2C(F)(F)F)C1	REAL300012037642	0	36	0.0	-59.10	299.02	8.13	-50.97
CC1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)SC2=C(Cl)C=CC=C12	REAL300012037643	0	42	0.0	-63.64	350.57	10.69	-52.95
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)C1	REAL300012037644	0	50	0.0	-69.92	403.35	10.58	-59.34
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(F)C=C2I)C1	REAL300012037645	0	36	0.0	-61.43	307.14	9.20	-52.23
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C1	REAL300012037646	0	39	0.0	-73.35	318.75	7.26	-66.09
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)O1	REAL300012037647	0	46	0.0	-62.56	363.14	8.57	-53.99
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Br)=CN=C2Cl)C1	REAL300012037648	0	35	0.0	-63.33	307.38	7.38	-55.95
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(OC(F)F)=CC=C2Br)C1	REAL300012037649	0	40	0.0	-61.15	333.82	8.30	-52.85
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)S2)C=C1C	REAL300012037650	0	48	0.0	-65.12	384.01	10.43	-54.69
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037651	0	46	0.0	-64.86	360.99	9.95	-54.91
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037652	0	46	0.0	-67.96	378.60	10.84	-57.12
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037653	0	46	0.0	-68.29	374.73	10.70	-57.59
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037654	0	49	0.0	-68.26	379.02	10.64	-57.62
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037655	0	46	0.0	-67.18	378.84	10.60	-56.58
CC(C)(C#N)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037656	0	46	0.0	-67.73	356.54	10.14	-57.59
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN=NN2C2=CC=CC=C2)C1	REAL300012037657	0	42	0.0	-70.27	329.44	7.79	-62.48
COC1=CC(OC)=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300012037658	0	44	0.0	-63.83	342.96	6.90	-56.93
COC1=CC(F)=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300012037659	0	44	0.0	-64.45	342.34	7.41	-57.04
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3F)=C2)C1	REAL300012037660	0	50	0.0	-65.12	400.53	11.67	-53.45
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037661	0	49	0.0	-68.41	379.00	10.64	-57.77
CCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)=C1	REAL300012037662	0	49	0.0	-63.59	368.20	9.75	-53.84
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC3=CC(Br)=CC=C3O2)C1	REAL300012037663	0	39	0.0	-66.66	328.30	9.29	-57.37
CCC1=C2OC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=CC2=CC=C1	REAL300012037664	0	45	0.0	-64.65	349.91	10.11	-54.54
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(OC3CC3)=C2F)C1	REAL300012037665	0	44	0.0	-64.01	345.05	9.16	-54.85
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(F)=C2OC(F)F)C1	REAL300012037666	0	40	0.0	-64.46	322.94	7.90	-56.56
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(F)=CC=C2OC(F)F)C1	REAL300012037667	0	40	0.0	-64.78	323.43	7.87	-56.91
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(C3CCCC3)=C2)C1	REAL300012037668	0	49	0.0	-61.30	363.36	11.37	-49.93
CN1C=C(C2=NN(C)C=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300012037669	0	46	0.0	-67.06	363.42	7.18	-59.88
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)C=C2C1	REAL300012037670	0	60	0.0	-68.56	445.82	11.37	-57.19
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)C1	REAL300012037671	0	42	0.0	-65.25	361.68	9.72	-55.53
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CSC(C(F)(F)F)=C2)C1	REAL300012037672	0	36	0.0	-67.90	310.54	8.32	-59.58
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(C(F)(F)F)SC=C2)C1	REAL300012037673	0	36	0.0	-59.10	300.34	8.27	-50.83
CN(C)C1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=CC(F)=C1F	REAL300012037674	0	44	0.0	-66.99	339.36	8.21	-58.78
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CNN=C2C2=CC=C(Br)S2)C1	REAL300012037675	0	40	0.0	-63.84	345.30	8.04	-55.80
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(F)C=CC(F)=C2Cl)C1	REAL300012037676	0	36	0.0	-57.82	304.34	8.65	-49.17
CC(C)OC1=CC(Cl)=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300012037677	0	46	0.0	-61.35	376.29	10.04	-51.31
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OC3CCOC3)C=C2)C1	REAL300012037678	0	48	0.0	-65.73	365.21	7.80	-57.93
CN(C)C1=CC(F)=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300012037679	0	44	0.0	-63.97	344.55	7.75	-56.22
COC(=O)C1=C2CCCCN2C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037680	0	50	0.0	-71.71	380.83	9.90	-61.81
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC(C(F)(F)F)=C1	REAL300012037681	0	43	0.0	-67.48	347.36	8.46	-59.02
C=CCOC1=C(Cl)C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300012037682	0	48	0.0	-71.27	392.61	9.53	-61.74
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC1CC1	REAL300012037683	0	48	0.0	-69.45	369.72	9.05	-60.40
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Cl)=CC=C2I)C1	REAL300012037684	0	36	0.0	-58.04	317.47	9.65	-48.39
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037685	0	39	0.0	-73.97	321.12	6.71	-67.26
COCC(C)OC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037686	0	50	0.0	-66.35	381.50	8.39	-57.96
CN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300012037687	0	53	0.0	-66.64	421.46	9.10	-57.54
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2OCC2=CC=C(F)C=C2F)C1	REAL300012037688	0	50	0.0	-63.55	399.18	11.75	-51.80
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C1	REAL300012037689	0	43	0.0	-65.24	347.29	10.80	-54.44
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=NN2CCC2=CC=CC=C2)C1	REAL300012037690	0	49	0.0	-69.97	383.05	10.42	-59.55
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(C(F)(F)F)=C(Br)C=C2F)C1	REAL300012037691	0	39	0.0	-67.02	339.13	9.70	-57.32
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)C1	REAL300012037692	0	43	0.0	-67.55	356.88	9.14	-58.41
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1C(C)(C)C	REAL300012037693	0	52	0.0	-63.41	379.80	10.14	-53.27
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(CC3CCC3)=C2)C1	REAL300012037694	0	49	0.0	-61.37	370.25	11.67	-49.70
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037695	0	44	0.0	-55.38	351.93	7.38	-48.00
CC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=NC=C1Br	REAL300012037696	0	38	0.0	-63.23	314.74	7.53	-55.70
CC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C(Br)C=C1F	REAL300012037697	0	39	0.0	-61.48	321.27	9.44	-52.04
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(O)C=CC=C2Br)C1	REAL300012037698	0	37	0.0	-56.39	307.69	5.88	-50.51
CN1C=C(C2=NC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=CS2)C=N1	REAL300012037699	0	42	0.0	-64.91	349.44	6.76	-58.15
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)C1	REAL300012037700	0	42	0.0	-70.04	338.45	8.05	-61.99
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2CC(F)(F)F)C1	REAL300012037701	0	42	0.0	-61.01	328.33	9.73	-51.28
CN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(Br)=N1	REAL300012037702	0	36	0.0	-64.12	303.40	6.47	-57.65
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=NC=C(Br)C=C2F)C1	REAL300012037703	0	35	0.0	-59.46	300.79	6.94	-52.52
COC1=CC(Cl)=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300012037704	0	44	0.0	-62.83	349.66	7.84	-54.99
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C1	REAL300012037705	0	42	0.0	-64.55	340.91	9.97	-54.58
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037706	0	56	0.0	-67.50	427.82	8.63	-58.87
CCOC(=O)C1=C(C)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C(C)N1	REAL300012037707	0	49	0.0	-66.99	380.00	8.56	-58.43
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(F)C=CC(C(F)(F)F)=C2Br)C1	REAL300012037708	0	39	0.0	-58.66	336.71	9.55	-49.11
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C1	REAL300012037709	0	46	0.0	-67.11	372.15	12.14	-54.97
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Br)C(F)=C2F)C1	REAL300012037710	0	36	0.0	-68.67	310.58	8.88	-59.79
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Br)SC=C2)C1	REAL300012037711	0	33	0.0	-58.23	287.86	7.84	-50.39
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C(F)C=C1OC	REAL300012037712	0	47	0.0	-64.46	364.19	8.33	-56.13
COC1=NC=C(Br)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037713	0	39	0.0	-62.18	327.04	5.55	-56.63
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C1	REAL300012037714	0	42	0.0	-68.26	325.65	10.33	-57.93
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CN=C2Br)C1	REAL300012037715	0	35	0.0	-62.54	289.68	6.85	-55.69
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CNN=C2CN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300012037716	0	50	0.0	-67.97	400.84	7.79	-60.18
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C(F)C=C1Br	REAL300012037717	0	40	0.0	-65.52	333.58	8.17	-57.35
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(Br)=C2Cl)C1	REAL300012037718	0	36	0.0	-62.82	312.03	9.19	-53.63
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)C1	REAL300012037719	0	40	0.0	-65.16	329.71	8.18	-56.98
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037720	0	46	0.0	-59.54	353.47	9.13	-50.41
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)C1	REAL300012037721	0	50	0.0	-74.65	376.62	9.25	-65.40
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OC(F)F)C=C2F)C1	REAL300012037722	0	40	0.0	-66.08	324.75	7.77	-58.31
CC(C)(C)OC1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037723	0	49	0.0	-62.43	360.32	9.31	-53.12
CC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)=C1Br	REAL300012037724	0	42	0.0	-63.47	330.25	9.86	-53.61
CC1=CC=NC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1Br	REAL300012037725	0	38	0.0	-55.15	310.78	7.41	-47.74
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037726	0	53	0.0	-67.24	401.21	8.40	-58.84
CN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2=CC(F)=CC=C2F)=N1	REAL300012037727	0	46	0.0	-67.26	371.37	9.47	-57.79
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(F)=CC=C2OC2=CN=CC(Cl)=C2)C1	REAL300012037730	0	46	0.0	-64.75	386.25	9.89	-54.86
CN1N=C2CCSCC2=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037731	0	44	0.0	-70.24	342.70	7.80	-62.44
CCN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300012037732	0	49	0.0	-65.57	380.07	10.20	-55.37
COCC1=C(C)C=C(C)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1C	REAL300012037733	0	52	0.0	-61.21	380.62	9.40	-51.81
CC1=CC(OC2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)C(Cl)=C2)=CC=C1F	REAL300012037734	0	50	0.0	-65.15	409.73	12.24	-52.91
CCC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(Cl)=C1	REAL300012037735	0	53	0.0	-63.22	423.87	13.04	-50.18
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2OC2=CC=C(F)C(Cl)=C2)C1	REAL300012037736	0	47	0.0	-60.98	388.99	11.54	-49.44
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037737	0	50	0.0	-60.85	408.76	12.26	-48.59
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1F	REAL300012037738	0	50	0.0	-63.71	409.70	12.19	-51.52
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(F)=CC=C2OC2=CC=C(Cl)C(F)=C2)C1	REAL300012037739	0	47	0.0	-65.17	397.12	11.74	-53.43
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037740	0	50	0.0	-57.99	402.71	12.20	-45.79
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(F)=CC=C2OC2=CC=CC(Cl)=C2)C1	REAL300012037741	0	47	0.0	-60.15	388.59	11.54	-48.61
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037742	0	53	0.0	-58.43	424.08	13.00	-45.43
CC1=C(Br)C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)S1	REAL300012037743	0	36	0.0	-62.36	311.72	8.66	-53.70
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C1	REAL300012037744	0	46	0.0	-66.17	370.08	12.08	-54.09
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(F)=C2I)C1	REAL300012037745	0	36	0.0	-61.90	307.09	9.20	-52.70
CCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300012037746	0	49	0.0	-64.07	372.06	9.93	-54.14
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1COC1=CC=CC=C1	REAL300012037747	0	54	0.0	-64.69	417.87	10.91	-53.78
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1CN1C=CC=N1	REAL300012037748	0	50	0.0	-65.90	391.34	9.15	-56.75
CC1=CC=C(Br)C(F)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037749	0	39	0.0	-61.44	322.01	9.37	-52.07
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2OC2=CC=C(Cl)C(Cl)=C2)C1	REAL300012037750	0	47	0.0	-60.19	398.30	11.96	-48.23
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)=C1	REAL300012037751	0	53	0.0	-62.72	424.24	12.87	-49.85
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037752	0	44	0.0	-72.52	335.75	9.77	-62.75
COC1=CC=C(CN2C=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)N=N2)C=C1	REAL300012037753	0	49	0.0	-71.11	386.80	7.79	-63.32
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(F)=C1OC	REAL300012037754	0	44	0.0	-67.02	347.18	7.50	-59.52
COC(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(F)=C1	REAL300012037755	0	42	0.0	-70.19	339.47	8.83	-61.36
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)C1	REAL300012037756	0	46	0.0	-65.78	366.47	8.54	-57.24
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)C1	REAL300012037757	0	50	0.0	-65.01	390.41	11.44	-53.57
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2OCC(F)F)C1	REAL300012037758	0	43	0.0	-60.02	342.14	8.78	-51.24
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Br)=C(Br)S2)C1	REAL300012037759	0	33	0.0	-66.26	312.00	8.59	-57.67
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(F)=CC=C2OC2=CC=C(F)C(Cl)=C2)C1	REAL300012037760	0	47	0.0	-65.17	397.12	11.74	-53.43
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(F)=CC=C2OC2=CC(F)=CC(F)=C2)C1	REAL300012037761	0	47	0.0	-62.41	384.69	11.16	-51.25
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Cl)=CC=C2OC2=CC=C(Cl)C=C2)C1	REAL300012037762	0	47	0.0	-62.29	401.69	12.12	-50.17
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037763	0	54	0.0	-58.45	416.44	11.50	-46.95
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(F)=CC=C2OC2=CC=C(Cl)C=C2)C1	REAL300012037764	0	47	0.0	-63.14	391.36	11.68	-51.46
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2OC2=CC(Cl)=CC(Cl)=C2)C1	REAL300012037765	0	47	0.0	-60.79	402.43	12.16	-48.63
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(F)=CC=C2OC2=CC=C(F)C=C2Cl)C1	REAL300012037766	0	47	0.0	-62.12	396.72	11.76	-50.36
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037767	0	51	0.0	-62.98	414.83	12.17	-50.81
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037768	0	52	0.0	-66.04	395.75	11.21	-54.83
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300012037769	0	42	0.0	-62.77	360.71	9.48	-53.29
COC1=CC=C(C2=NC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=CS2)C=C1	REAL300012037770	0	46	0.0	-62.97	373.42	8.26	-54.71
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037772	0	44	0.0	-69.80	356.40	4.79	-65.01
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037773	0	36	0.0	-67.64	312.62	7.44	-60.20
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037774	1	56	0.0	-61.20	398.66	10.26	-50.94
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OCCN3C=CN=C3)C(Cl)=C2)C1	REAL300012037775	0	50	0.0	-71.91	408.41	11.56	-60.35
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C1	REAL300012037776	0	42	0.0	-70.18	335.32	6.39	-63.79
CC1=NN2C(=NC(C)=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)S1	REAL300012037777	0	41	0.0	-65.41	335.17	7.38	-58.03
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)S1	REAL300012037778	0	47	0.0	-64.74	375.47	8.63	-56.11
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C1	REAL300012037779	0	41	0.0	-53.50	333.68	9.10	-44.40
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)S2)C1	REAL300012037780	0	36	0.0	-66.92	310.00	8.47	-58.45
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(OCC2=CC=CN=C2)=C1	REAL300012037781	0	53	0.0	-64.26	413.41	9.02	-55.24
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=NC3=CC=C(Br)C=C3S2)C1	REAL300012037782	0	38	0.0	-64.24	332.09	8.21	-56.03
CN(C)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300012037783	0	47	0.0	-59.94	359.21	9.63	-50.31
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037784	0	46	0.0	-63.63	362.17	10.81	-52.82
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037785	0	45	0.0	-65.60	370.12	9.77	-55.83
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C1	REAL300012037786	0	55	0.0	-64.89	417.02	11.68	-53.21
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300012037787	0	39	0.0	-69.17	339.03	9.50	-59.67
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(C3=CC=CC=C3Br)N=N2)C1	REAL300012037788	0	42	0.0	-70.45	348.95	8.65	-61.80
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN3C=CC(Br)=CC3=N2)C1	REAL300012037789	0	39	0.0	-65.10	327.43	9.27	-55.83
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037790	0	47	0.0	-66.24	366.22	9.58	-56.66
COCC1=CC=CC=C1C=C(C)C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037791	0	50	0.0	-65.66	378.65	9.79	-55.87
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037792	0	46	0.0	-62.62	351.49	8.99	-53.63
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CON=C2CC2=CC=CC=C2)C1	REAL300012037793	0	45	0.0	-71.87	355.48	9.92	-61.95
COC1=CC=C(N2C=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)C=N2)C=C1	REAL300012037794	0	47	0.0	-69.66	367.45	8.67	-60.99
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037795	0	51	0.0	-61.98	401.73	11.59	-50.39
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C1	REAL300012037796	0	38	0.0	-69.89	318.55	6.15	-63.74
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(N3CCCCC3)C(Br)=C2)C1	REAL300012037797	0	51	0.0	-65.47	396.68	10.63	-54.84
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=NC=C2Br)C1	REAL300012037798	0	35	0.0	-62.13	289.97	6.96	-55.17
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)S1	REAL300012037799	0	39	0.0	-73.29	333.00	4.87	-68.42
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(C3=CC=CC=C3)N(C3CCCC3)N=C2)C1	REAL300012037800	0	56	0.0	-60.58	422.47	12.11	-48.47
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=NN2C2=CC=CC=N2)C1	REAL300012037801	0	42	0.0	-60.48	332.11	8.85	-51.63
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(F)=C1	REAL300012037802	0	41	0.0	-71.98	338.69	3.18	-68.80
CC1=C(Br)C=NC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037803	0	38	0.0	-67.15	308.34	7.45	-59.70
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037804	0	39	0.0	-65.64	317.58	6.78	-58.86
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=NN2C2=CC=NC=C2)C1	REAL300012037805	0	42	0.0	-68.21	330.40	7.29	-60.92
COC1=CC=C(C2=CC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=CC3=C2OCO3)C=N1	REAL300012037806	0	52	0.0	-74.74	413.80	7.21	-67.53
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=NN2C2CCOCC2)C1	REAL300012037807	0	47	0.0	-70.41	354.80	6.79	-63.62
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(OC3=CC=C(F)C=C3)N=C3C=CC=CN32)C1	REAL300012037808	0	50	0.0	-68.44	398.04	11.27	-57.17
CN(C)C1=CC=C(C#N)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037809	0	45	0.0	-64.55	351.76	8.60	-55.95
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(CC3CCOC3)N=N2)C1	REAL300012037810	0	46	0.0	-70.26	351.01	5.60	-64.66
CC1=CC(C)=C(C=CC[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)=C1	REAL300012037811	0	49	0.0	-64.31	368.35	11.27	-53.04
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)C1	REAL300012037812	0	56	0.0	-65.88	419.95	7.05	-58.83
CC(C)(C)OC(=O)NC(C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1)CC(F)F	REAL300012037813	0	52	0.0	-72.91	390.16	7.01	-65.90
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(CC3CCCO3)N=N2)C1	REAL300012037814	0	46	0.0	-67.16	354.93	5.75	-61.41
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C1	REAL300012037815	0	41	0.0	-75.17	327.34	8.62	-66.55
CC1=CC(C)=C(C=CC[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300012037816	0	49	0.0	-63.70	367.56	11.22	-52.48
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037817	0	41	0.0	-75.59	334.11	3.14	-72.45
CN1C=CC(C2=NC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=CS2)=N1	REAL300012037818	0	42	0.0	-66.24	349.55	6.65	-59.59
CN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300012037819	0	49	0.0	-65.82	367.45	9.07	-56.75
CC1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1Br	REAL300012037820	0	39	0.0	-58.03	313.63	9.28	-48.75
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C1	REAL300012037821	0	47	0.0	-65.58	375.97	11.15	-54.43
CN(C)C(=O)C1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037822	0	46	0.0	-69.35	350.97	8.00	-61.35
CC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C2CCCCC2=N1	REAL300012037823	0	48	0.0	-66.78	352.50	9.36	-57.42
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2N2CCCCC2)C1	REAL300012037824	0	51	0.0	-56.99	373.61	10.27	-46.72
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CSC(C(F)(F)F)=N2)C1	REAL300012037825	0	35	0.0	-66.11	305.58	6.27	-59.84
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Br)=CC=C2Br)C1	REAL300012037826	0	36	0.0	-59.12	316.71	9.32	-49.80
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C(F)F)C(F)=C2)C1	REAL300012037827	0	39	0.0	-73.11	318.56	9.14	-63.97
COC(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300012037828	0	45	0.0	-70.77	349.98	9.36	-61.41
CC1=C(Cl)C=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1Cl	REAL300012037829	0	39	0.0	-62.07	324.61	9.63	-52.44
CC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C(C)C=C1I	REAL300012037830	0	42	0.0	-64.03	339.28	10.39	-53.64
N#CC1=CC=C(Br)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037831	0	37	0.0	-64.77	315.35	9.12	-55.65
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037832	0	49	0.0	-60.15	381.57	9.71	-50.44
COC(=O)COC1=CC=CC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037833	0	46	0.0	-61.10	363.63	9.12	-51.98
CN(C)C(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037834	0	46	0.0	-73.23	350.95	8.03	-65.20
CCNC(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037835	0	46	0.0	-73.28	357.09	7.29	-65.99
COC1=CC=C2SC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=CC2=C1	REAL300012037836	0	43	0.0	-64.78	346.86	9.00	-55.78
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037837	0	52	0.0	-73.91	388.72	9.83	-64.08
CCN1CCC2=CC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=CC=C21	REAL300012037838	0	48	0.0	-63.49	359.23	8.80	-54.69
CCN(C)C(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037839	0	49	0.0	-73.28	373.11	9.03	-64.25
CSC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300012037840	0	40	0.0	-67.67	334.36	9.62	-58.05
CC1=NN(C2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)C(C)=C2)C=C1	REAL300012037841	0	49	0.0	-70.56	375.59	10.51	-60.05
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300012037842	0	42	0.0	-68.59	351.13	10.06	-58.53
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037843	0	46	0.0	-69.13	369.44	10.46	-58.67
CCC1=CC(Br)=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)S1	REAL300012037844	0	39	0.0	-57.13	332.17	9.39	-47.74
CC1=NN(C2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)C=C2)C=C1Cl	REAL300012037845	0	46	0.0	-70.48	376.05	10.44	-60.04
COC(=O)C1=CC2=C(C=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)O2)N1	REAL300012037846	0	43	0.0	-71.66	347.73	6.96	-64.70
CC(C)(C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300012037847	0	45	0.0	-64.08	348.50	10.49	-53.59
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Cl)=CC(Br)=C2)C1	REAL300012037848	0	36	0.0	-66.90	317.16	9.28	-57.62
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)=C1	REAL300012037849	0	52	0.0	-57.00	389.70	12.69	-44.31
COC1=CC=CC(C2=CSC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=N2)=C1	REAL300012037850	0	46	0.0	-65.10	371.76	8.23	-56.87
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037851	0	56	0.0	-67.96	427.03	8.62	-59.34
COC(=O)C1=C2COCCN2C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037852	0	48	0.0	-73.33	372.55	7.51	-65.82
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)C1	REAL300012037853	0	53	0.0	-73.58	395.48	10.13	-63.45
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037854	0	46	0.0	-69.88	349.86	11.13	-58.75
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)C(Cl)=C2Cl)C1	REAL300012037855	0	39	0.0	-68.31	341.36	10.00	-58.31
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)C1	REAL300012037856	0	40	0.0	-63.60	336.12	7.09	-56.51
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(Br)=C1	REAL300012037857	0	41	0.0	-70.01	349.53	3.73	-66.28
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN=C(C3CCOCC3)O2)C1	REAL300012037858	0	46	0.0	-67.08	351.42	4.61	-62.47
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Cl)C=CC=C2Br)C1	REAL300012037859	0	36	0.0	-53.39	311.27	9.06	-44.33
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(F)C(Br)=C2F)C1	REAL300012037860	0	36	0.0	-68.47	309.99	8.86	-59.61
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)C1	REAL300012037861	0	45	0.0	-68.79	357.29	8.49	-60.30
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)CC1	REAL300012037862	0	56	0.0	-69.15	402.84	9.18	-59.97
CC1=CC(Br)=CN=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037863	0	38	0.0	-61.68	311.68	7.49	-54.19
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)C1	REAL300012037864	0	42	0.0	-71.29	353.02	6.09	-65.20
CC1OC2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)C=C2C1C	REAL300012037865	0	47	0.0	-65.72	357.58	9.40	-56.32
CC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OC(F)F	REAL300012037866	0	43	0.0	-63.17	339.25	8.51	-54.66
CC1=NC(Cl)=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1Br	REAL300012037867	0	38	0.0	-63.01	325.83	7.91	-55.10
CN1N=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1S(C)(=O)=O	REAL300012037868	0	42	0.0	-66.68	330.42	3.57	-63.11
CCOC1=CC(Br)=CC(F)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037869	0	43	0.0	-56.73	356.55	9.11	-47.62
CC1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)NN=C1C(F)(F)F	REAL300012037870	0	39	0.0	-72.95	317.64	6.13	-66.82
CS(=O)(=O)C1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=CS1	REAL300012037871	0	39	0.0	-67.68	322.61	5.14	-62.54
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)C=C2)O1	REAL300012037872	0	53	0.0	-71.15	428.02	10.35	-60.80
CC1=C(Br)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C(C)S1	REAL300012037873	0	39	0.0	-57.72	326.77	9.06	-48.66
CN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2=CC=CC(F)=C2)=N1	REAL300012037874	0	46	0.0	-70.53	365.59	9.41	-61.12
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300012037875	0	40	0.0	-64.59	330.68	7.96	-56.63
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300012037876	0	42	0.0	-67.11	350.33	10.05	-57.06
CC1=NC=CN1C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)=C1	REAL300012037877	0	49	0.0	-71.00	373.76	11.23	-59.77
CC1=C(C)N(C2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)C=C2)C=N1	REAL300012037878	0	49	0.0	-72.73	379.77	11.87	-60.86
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C1	REAL300012037879	0	50	0.0	-62.27	374.89	12.21	-50.06
CCNC(=O)C1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037881	0	46	0.0	-68.55	357.10	7.28	-61.27
CC1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300012037882	0	42	0.0	-66.31	333.82	9.39	-56.92
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037883	0	46	0.0	-71.11	359.21	9.28	-61.83
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC3=C(Br)C=CC=C3S2)C1	REAL300012037884	0	39	0.0	-62.88	336.96	10.27	-52.61
CN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2=CC=CC=C2Br)=N1	REAL300012037885	0	46	0.0	-66.66	377.44	9.99	-56.67
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=NN(CC(F)(F)F)C=C2)C1	REAL300012037886	0	39	0.0	-64.46	321.41	7.21	-57.25
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)C1	REAL300012037887	0	46	0.0	-62.31	352.77	10.21	-52.10
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CNN=C2C2=CC=CC(Br)=C2)C1	REAL300012037888	0	43	0.0	-69.32	357.00	8.62	-60.70
CN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300012037889	0	39	0.0	-66.60	318.38	7.03	-59.57
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(C(F)F)=C2F)C1	REAL300012037890	0	39	0.0	-65.05	314.97	9.03	-56.02
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037891	0	49	0.0	-72.86	395.02	10.91	-61.95
CCOC1=CC=C(Cl)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037892	0	43	0.0	-58.99	345.90	8.96	-50.03
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CNN=C2C2=CC=C(Br)C=C2)C1	REAL300012037893	0	43	0.0	-68.64	356.89	8.65	-59.99
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C1	REAL300012037894	0	43	0.0	-70.47	342.13	8.08	-62.39
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Br)C=CC=C2Br)C1	REAL300012037895	0	36	0.0	-52.78	315.29	9.15	-43.63
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Br)C=CC=C2OC(F)F)C1	REAL300012037896	0	40	0.0	-57.21	335.94	8.30	-48.91
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(C3CCCCC3)N=C2)C1	REAL300012037897	0	49	0.0	-64.49	364.58	9.22	-55.27
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)C1	REAL300012037898	0	43	0.0	-64.53	353.00	9.64	-54.89
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(F)C=C(Br)C=C2F)C1	REAL300012037899	0	36	0.0	-59.00	311.05	8.83	-50.17
CN(CCO)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300012037900	0	47	0.0	-65.47	357.51	5.82	-59.65
COC1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=CC=C1C(C)(C)C	REAL300012037901	0	52	0.0	-59.17	371.04	10.00	-49.17
CN1C=C(Br)N=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037902	0	36	0.0	-67.17	301.30	7.03	-60.14
CC(C)(OCC1=CC=CC=C1)C1=CC=C(F)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037903	0	59	0.0	-58.52	449.37	12.97	-45.55
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C1	REAL300012037904	0	42	0.0	-67.10	335.89	7.28	-59.82
CN1C(=O)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300012037905	0	45	0.0	-63.40	345.61	8.94	-54.46
CC1=CC(C)=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)=C1Br	REAL300012037906	0	45	0.0	-62.35	349.39	10.31	-52.04
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC=CC2=CC=C3OCOC3=C2)C1	REAL300012037907	0	43	0.0	-69.78	336.24	8.11	-61.67
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(CC3CCC3)C=C2)C1	REAL300012037908	0	49	0.0	-61.16	371.04	11.70	-49.46
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037909	0	46	0.0	-69.69	376.12	8.95	-60.74
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(F)C=CC(Cl)=C2F)C1	REAL300012037910	0	36	0.0	-58.79	305.93	8.71	-50.08
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037911	0	53	0.0	-68.99	400.94	8.40	-60.59
CC1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300012037912	0	39	0.0	-61.03	318.30	7.94	-53.09
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300012037913	0	42	0.0	-68.55	342.86	8.96	-59.59
CN1C=C(C2=NNC=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300012037914	0	43	0.0	-67.41	339.37	5.86	-61.55
CCCN1N=C(C)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1Cl	REAL300012037915	0	45	0.0	-61.52	361.38	8.45	-53.07
CC(C)(C#N)C1=NC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)S1	REAL300012037916	0	42	0.0	-71.22	346.05	7.58	-63.64
COC1=CC=C(Br)C(F)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037917	0	40	0.0	-58.00	333.19	8.15	-49.85
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(F)C=C(C(F)(F)F)C=C2Br)C1	REAL300012037918	0	39	0.0	-58.84	341.28	9.67	-49.17
N#CC1=CC(F)=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(Br)=C1	REAL300012037919	0	37	0.0	-62.65	323.32	9.06	-53.59
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C1	REAL300012037920	0	43	0.0	-64.43	345.50	10.61	-53.82
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C1	REAL300012037921	0	42	0.0	-66.10	336.80	10.80	-55.30
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Cl)C(Br)=C2F)C1	REAL300012037922	0	36	0.0	-67.30	319.11	9.28	-58.02
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2OC2CCCCC2)C1	REAL300012037923	0	53	0.0	-57.03	388.70	11.00	-46.03
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300012037924	0	47	0.0	-66.22	387.07	11.62	-54.60
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2COC2CCCCC2)C1	REAL300012037925	0	56	0.0	-62.67	409.32	11.66	-51.01
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2OCC2=CC=C(Cl)C=C2)C1	REAL300012037926	0	50	0.0	-60.10	405.71	12.03	-48.07
COC1=CC=CC(OC2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)C=C2)=C1	REAL300012037927	0	51	0.0	-70.44	399.04	10.38	-60.06
CCN1CCCC2=CC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=CC=C21	REAL300012037928	0	51	0.0	-62.04	368.88	9.20	-52.84
COCC1=CN=C(OC)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037929	0	46	0.0	-61.58	359.03	4.69	-56.89
CN1N=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1Br	REAL300012037930	0	36	0.0	-61.62	302.66	6.38	-55.24
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012037931	0	51	0.0	-70.91	397.92	10.92	-59.99
COC1=C(Br)C=CC(F)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037932	0	40	0.0	-58.34	334.32	8.22	-50.12
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)C1	REAL300012037933	0	49	0.0	-66.71	388.32	12.87	-53.84
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Br)C=CC=C2OC(F)(F)F)C1	REAL300012037934	0	40	0.0	-54.89	341.87	8.51	-46.38
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C1	REAL300012037935	0	40	0.0	-67.30	335.54	9.62	-57.68
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(OCC3=CC=C(Cl)C=C3)=C2)C1	REAL300012037936	0	50	0.0	-64.28	407.93	11.98	-52.30
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)C1	REAL300012037937	0	49	0.0	-66.76	373.16	8.85	-57.91
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Br)C=C2OC(F)F)C1	REAL300012037938	0	40	0.0	-66.80	338.34	8.43	-58.37
CC1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)SC2=CC(F)=CC=C12	REAL300012037939	0	42	0.0	-64.43	340.46	10.31	-54.12
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C1	REAL300012037940	0	42	0.0	-73.83	334.55	6.35	-67.48
COC1=CC=C(F)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1OC	REAL300012037941	0	44	0.0	-57.77	345.63	7.51	-50.26
COC1=CC(OC)=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C2=NC(Cl)=CC=C12	REAL300012037942	0	49	0.0	-54.91	393.05	7.88	-47.03
CN1C=CC(C2=NNC=C2C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=N1	REAL300012037943	0	43	0.0	-61.77	339.40	6.22	-55.55
CC1=CC=C(F)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1Br	REAL300012037944	0	39	0.0	-54.26	320.73	9.25	-45.01
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2OCCC2CCCCC2)C1	REAL300012037945	0	59	0.0	-57.46	431.27	12.46	-45.00
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(OCC3CCC3)=C2)C1	REAL300012037946	0	50	0.0	-62.55	378.71	10.50	-52.05
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OCCO	REAL300012037947	0	48	0.0	-70.97	371.90	5.22	-65.75
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1OCCO	REAL300012037948	0	48	0.0	-71.19	371.91	5.22	-65.97
CN1C=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C2=CC=NN2C)=N1	REAL300012037949	0	46	0.0	-69.07	363.57	7.10	-61.97
COC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OCC1CCCO1	REAL300012037950	0	55	0.0	-70.97	417.61	8.81	-62.16
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C1	REAL300012037951	0	39	0.0	-64.99	313.07	9.24	-55.75
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)C1	REAL300012037952	0	43	0.0	-58.07	354.84	8.95	-49.12
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CN=C(C(F)F)S3)C=C2)C1	REAL300012037953	0	45	0.0	-69.07	377.26	9.92	-59.15
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Br)C=CC3=C2OCO3)C1	REAL300012037954	0	39	0.0	-56.27	323.25	7.30	-48.97
CS(=O)(=O)C1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)SC=C1	REAL300012037955	0	39	0.0	-68.67	320.86	4.80	-63.87
CS(=O)(=O)C1=COC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037956	0	39	0.0	-73.09	322.96	3.74	-69.35
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C1	REAL300012037957	0	39	0.0	-66.05	323.14	9.24	-56.81
CC(C)OC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300012037958	0	46	0.0	-69.55	354.63	9.09	-60.46
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(F)C(Cl)=C2F)C1	REAL300012037959	0	36	0.0	-68.40	305.73	8.76	-59.64
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C1	REAL300012037960	0	42	0.0	-62.37	329.65	10.42	-51.95
CS(=O)(=O)C1=CSC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037961	0	39	0.0	-70.98	331.35	4.76	-66.22
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)C1	REAL300012037962	0	43	0.0	-67.77	355.49	9.90	-57.87
CC1=NN(C2CCCC2)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037963	0	49	0.0	-67.69	367.25	9.22	-58.47
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Br)C=C(C(F)(F)F)S2)C1	REAL300012037964	0	36	0.0	-62.52	329.46	8.99	-53.53
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Br)C=C2OC2CC2)C1	REAL300012037965	0	44	0.0	-61.07	359.60	9.80	-51.27
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037966	0	46	0.0	-65.83	359.34	8.88	-56.95
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)C1	REAL300012037967	0	39	0.0	-64.08	320.55	9.62	-54.46
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(F)C=CC(Br)=C2Cl)C1	REAL300012037968	0	36	0.0	-57.24	317.88	9.16	-48.08
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C1	REAL300012037969	0	43	0.0	-68.31	345.17	9.45	-58.86
COC1=NC(C)=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)=C1Cl	REAL300012037970	0	45	0.0	-69.00	354.36	6.38	-62.62
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037971	0	45	0.0	-66.34	355.23	8.52	-57.82
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037972	0	52	0.0	-64.60	383.37	9.80	-54.80
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CN(C3CCOCC3)N=C2)C1	REAL300012037973	0	47	0.0	-65.58	354.56	6.81	-58.77
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037974	0	50	0.0	-65.25	374.22	7.40	-57.85
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Br)=CC3=CC=CN=C32)C1	REAL300012037975	0	41	0.0	-58.83	340.98	9.31	-49.52
NS(=O)(=O)C1=CSC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037976	0	38	0.0	-71.23	324.94	2.15	-69.08
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=NC=C(Cl)C=C2Cl)C1	REAL300012037977	0	35	0.0	-57.78	304.99	7.25	-50.53
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300012037978	0	51	0.0	-74.83	384.87	7.65	-67.18
CC1=NN(C2CCCC2)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037979	0	49	0.0	-64.61	364.38	9.19	-55.42
CC1=CC(Br)=C(F)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037980	0	39	0.0	-63.07	325.65	9.46	-53.61
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Br)C(Cl)=C2F)C1	REAL300012037981	0	36	0.0	-67.31	319.26	9.28	-58.03
COC1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1Br	REAL300012037982	0	40	0.0	-60.55	324.82	8.07	-52.48
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Cl)C(F)=C2F)C1	REAL300012037983	0	36	0.0	-68.65	306.16	8.78	-59.87
CN1C=C(C2=CC=CC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=C2)C=N1	REAL300012037984	0	46	0.0	-67.11	359.26	9.45	-57.66
COC1=CC(F)=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1Br	REAL300012037985	0	40	0.0	-63.27	333.58	8.17	-55.10
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)C1	REAL300012037986	0	46	0.0	-83.51	366.49	10.59	-72.92
CC1=CC=C(Br)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037987	0	39	0.0	-62.95	316.64	9.35	-53.60
COC1=NC2=CC=C(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)C=C2S1	REAL300012037988	0	42	0.0	-70.75	344.34	6.00	-64.75
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=NC(Br)=C2)C1	REAL300012037989	0	35	0.0	-70.47	295.48	6.90	-63.57
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(F)=CC(Cl)=C2Cl)C1	REAL300012037990	0	36	0.0	-63.76	313.41	9.14	-54.62
CC(C)(C)COC1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012037991	0	52	0.0	-62.12	390.93	10.50	-51.62
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Br)=CC(Cl)=C2F)C1	REAL300012037992	0	36	0.0	-64.69	322.18	9.29	-55.40
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)C1	REAL300012037993	0	39	0.0	-70.67	330.71	9.51	-61.16
CN1N=CC=C1C1=NNC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037994	0	43	0.0	-69.50	340.96	5.82	-63.68
COC(=O)C1=C(C)NC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1C	REAL300012037995	0	46	0.0	-71.81	361.79	7.91	-63.90
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+][C@@H]3CCC[C@H](C(=O)[O-])C3)=CC=C2C1	REAL300012037996	0	60	0.0	-68.05	445.81	11.38	-56.67
CC1=CC(Br)=CC(C)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012037997	0	42	0.0	-63.56	333.57	9.83	-53.73
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(O)C=CC(F)=C2Br)C1	REAL300012037998	0	37	0.0	-59.64	313.39	5.91	-53.73
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Cl)C=CC3=C2OCO3)C1	REAL300012037999	0	39	0.0	-56.92	319.22	7.21	-49.71
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300012038000	0	52	0.0	-61.28	381.77	11.99	-49.29
CC1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)SC(Br)=C1	REAL300012038001	0	36	0.0	-62.49	310.36	8.58	-53.91
CC1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=NN1CC(F)F	REAL300012038002	0	42	0.0	-68.99	334.61	7.51	-61.48
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C1	REAL300012038003	0	44	0.0	-70.28	349.11	8.52	-61.76
CCCN1N=C(C)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012038004	0	45	0.0	-63.33	357.64	8.50	-54.83
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012038005	0	48	0.0	-68.38	378.06	10.27	-58.11
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012038006	0	43	0.0	-72.30	342.45	7.42	-64.88
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C1	REAL300012038007	0	49	0.0	-62.74	382.72	12.64	-50.10
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Cl)=CC(Cl)=C2Br)C1	REAL300012038008	0	36	0.0	-62.13	326.97	9.66	-52.47
CCCCC(=O)NC1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300012038009	0	52	0.0	-68.17	398.80	9.42	-58.75
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CSC(Br)=C2Br)C1	REAL300012038010	0	33	0.0	-62.21	308.62	8.36	-53.85
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(Br)=C2Br)C1	REAL300012038011	0	36	0.0	-62.23	315.18	9.27	-52.96
CCN(C)C1=CC=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)=C1	REAL300012038012	0	50	0.0	-60.21	368.65	10.08	-50.13
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Cl)=CN=C2Br)C1	REAL300012038013	0	35	0.0	-62.72	306.41	7.35	-55.37
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(Cl)C(Cl)=CS2)C1	REAL300012038014	0	33	0.0	-61.38	300.59	8.18	-53.20
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012038015	0	57	0.0	-61.45	407.85	10.32	-51.13
COC1=CC(C)=CC(OC)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012038016	0	47	0.0	-53.38	356.84	7.54	-45.84
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C1	REAL300012038017	0	40	0.0	-69.90	341.17	8.50	-61.40
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C1	REAL300012038018	0	46	0.0	-68.46	368.44	11.01	-57.45
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C1	REAL300012038019	0	45	0.0	-67.91	349.34	9.85	-58.06
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1	REAL300012038020	0	58	0.0	-64.96	438.01	13.07	-51.89
CC1=CC=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1C(F)(F)F	REAL300012038021	0	42	0.0	-58.33	321.52	9.66	-48.67
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)C=C2Br)C1	REAL300012038022	0	39	0.0	-63.64	334.04	9.77	-53.87
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC3=NC=C(Br)C=C3O2)C1	REAL300012038023	0	38	0.0	-69.41	323.87	7.49	-61.92
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)C1	REAL300012038024	0	41	0.0	-67.51	344.89	8.50	-59.01
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC3=C(CCOC3)N=C2Cl)C1	REAL300012038025	0	43	0.0	-65.12	340.06	6.80	-58.32
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC3=CC(Br)=CC=C3S2)C1	REAL300012038026	0	39	0.0	-64.69	338.58	10.33	-54.36
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012038027	0	49	0.0	-65.00	379.82	10.73	-54.27
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(Br)C=C2Br)C1	REAL300012038028	0	36	0.0	-61.90	316.71	9.32	-52.58
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Br)=CC(F)=C2F)C1	REAL300012038029	0	36	0.0	-65.64	312.29	8.87	-56.77
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Cl)=C(Br)C=C2F)C1	REAL300012038030	0	36	0.0	-64.78	319.81	9.28	-55.50
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)C1	REAL300012038031	0	38	0.0	-76.06	328.64	9.46	-66.60
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012038032	0	43	0.0	-67.08	340.15	10.08	-57.00
COC1=C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)C=CC(Br)=C1F	REAL300012038033	0	40	0.0	-68.55	335.50	8.22	-60.33
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC(C(F)(F)F)=C2F)C1	REAL300012038034	0	39	0.0	-67.51	322.61	9.18	-58.33
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C1	REAL300012038035	0	42	0.0	-76.44	331.50	8.07	-68.37
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012038036	0	54	0.0	-64.14	404.33	9.80	-54.34
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)C1	REAL300012038037	0	42	0.0	-67.80	343.68	10.94	-56.86
COC1=C2C=CNC2=CC=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012038038	0	44	0.0	-61.08	341.43	7.65	-53.43
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C1	REAL300012038039	0	49	0.0	-64.22	365.30	5.17	-59.05
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=C(CN3C=C(Br)C=N3)C=C2)C1	REAL300012038040	0	46	0.0	-65.75	384.61	10.44	-55.31
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=C(F)C=C(I)C=C2F)C1	REAL300012038041	0	36	0.0	-58.95	317.53	9.31	-49.64
COC1=CC=C(OC)C(OC)=C1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300012038042	0	48	0.0	-56.88	367.12	6.78	-50.10
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)C1	REAL300012038043	0	53	0.0	-57.38	391.08	10.08	-47.30
O=C([O-])[C@H]1CCC[C@@H]([NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)C1	REAL300012038044	0	50	0.0	-61.37	392.77	11.68	-49.69
CC1=CC(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=CN=C1N1C=CC=N1	REAL300012038045	0	45	0.0	-72.79	352.08	9.52	-63.27
COC1=CC=C(Br)C(C[NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)=C1O	REAL300012038046	0	41	0.0	-58.08	336.92	5.85	-52.23
CC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C(C)=C1	REAL300012038047	0	53	0.0	-30.33	405.76	13.31	-17.02
CC1=CC=C(C)C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038048	0	53	0.0	-30.02	405.76	13.30	-16.72
CC([NH2+]CC1=CC2=CC=CN=C2C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038049	0	52	0.0	-35.57	414.35	12.47	-23.10
CC([NH2+]CC1CC2C=CC1C2)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038050	0	52	0.0	-32.79	390.27	12.62	-20.17
CC([NH2+]CC1CCCCC1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038051	0	53	0.0	-33.61	394.83	12.50	-21.11
CC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1C	REAL300012038052	0	53	0.0	-30.29	402.05	13.20	-17.09
CC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1C	REAL300012038053	0	53	0.0	-31.60	411.18	13.33	-18.27
CC([NH2+]CC1=CC=CC(C#N)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038054	0	48	0.0	-42.66	392.95	12.44	-30.22
CC([NH2+]CC1=CC=C(Cl)S1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038055	0	44	0.0	-31.03	380.12	11.87	-19.16
CC([NH2+]CC1=CC=CC2=CC=CN=C21)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038056	0	52	0.0	-35.81	412.65	12.66	-23.15
CC([NH2+]CC1=CC(F)=CC=C1F)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038058	0	47	0.0	-34.75	384.81	12.23	-22.52
CC([NH2+]CC1=CC=C(F)C=C1Cl)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038059	0	47	0.0	-34.48	390.81	12.60	-21.88
CC([NH2+]CC1=CC=C(F)C(Cl)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038060	0	47	0.0	-33.59	394.10	12.63	-20.96
CCOC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038061	0	54	0.0	-36.43	423.45	12.28	-24.15
CC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1F	REAL300012038062	0	50	0.0	-34.95	398.23	12.78	-22.17
CC([NH2+]CC1=CC=C(Cl)C(F)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038063	0	47	0.0	-33.58	394.10	12.64	-20.94
CC([NH2+]CC1=CC=CN=C1Cl)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038064	0	46	0.0	-28.04	379.84	10.77	-17.27
CC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=CN=C1Cl	REAL300012038067	0	49	0.0	-38.93	402.60	11.29	-27.64
CC([NH2+]CC1=COC2=CC=CC=C12)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038068	0	50	0.0	-35.96	400.76	12.51	-23.45
CC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)N=C1	REAL300012038069	0	49	0.0	-36.02	389.62	10.95	-25.07
CC([NH2+]CC1=C(Cl)SC=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038070	0	44	0.0	-27.18	377.41	11.64	-15.54
CCOC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=N1	REAL300012038071	0	53	0.0	-29.32	421.88	9.72	-19.60
CC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=CC=C1Cl	REAL300012038072	0	50	0.0	-33.54	408.69	13.21	-20.33
CCCC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038073	0	56	0.0	-31.26	437.15	14.34	-16.92
CCOC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)N=C1	REAL300012038074	0	53	0.0	-36.74	419.62	10.48	-26.26
CC1=CC(C)=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1C	REAL300012038075	0	56	0.0	-30.04	422.77	13.84	-16.20
CC1CCC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)CC1	REAL300012038076	0	56	0.0	-34.70	407.64	12.84	-21.86
CCC1CCCC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300012038077	0	59	0.0	-34.98	424.06	13.41	-21.57
CCCC1CCC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)CC1	REAL300012038078	0	62	0.0	-33.78	455.39	14.51	-19.27
CC1CCCCC1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038079	0	56	0.0	-33.69	404.73	12.72	-20.97
COC1=CC=C(C)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038080	0	54	0.0	-32.78	422.40	12.17	-20.61
COC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1F	REAL300012038081	0	51	0.0	-34.09	407.24	11.44	-22.65
CC(C)C1CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)CCO1	REAL300012038082	0	60	0.0	-36.69	443.95	12.17	-24.52
CC([NH2+]CC1CCC(C)(C)CC1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038083	0	59	0.0	-32.90	428.30	13.36	-19.54
CC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=CC=C1F	REAL300012038085	0	50	0.0	-33.94	399.48	12.83	-21.11
CC([NH2+]CC1=C2NC=CC2=CC=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038086	0	51	0.0	-31.45	404.18	12.14	-19.31
CC([NH2+]CC1=CC(F)=CC(Cl)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038087	0	47	0.0	-34.69	395.99	12.70	-21.99
CC([NH2+]CC1=CC=C(Cl)C=C1F)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038088	0	47	0.0	-37.15	395.13	12.69	-24.46
CC([NH2+]CC1=CC(Cl)=CC=C1F)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038089	0	47	0.0	-34.25	395.13	12.69	-21.56
CC([NH2+]CC1=CC(F)=CC(F)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038090	0	47	0.0	-35.41	385.68	12.27	-23.14
CC([NH2+]CC1=CC=CC(Cl)=C1F)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038091	0	47	0.0	-28.04	394.96	12.65	-15.39
CC([NH2+]CC1=CC=CC(F)=C1F)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038092	0	47	0.0	-28.62	385.07	12.22	-16.40
COC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=N1	REAL300012038093	0	50	0.0	-36.59	400.27	8.83	-27.76
CC([NH2+]CC1=CC=C2OCCC2=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038094	0	52	0.0	-34.84	409.12	11.97	-22.87
CC([NH2+]CC1=C2C=CNC2=CC=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038095	0	51	0.0	-32.86	403.47	12.13	-20.73
CC1=NC(C)=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)S1	REAL300012038096	1	49	0.0	-31.27	397.43	10.56	-20.71
CC([NH2+]CC1=CC2=CC=CC=C2C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038097	0	53	0.0	-33.72	419.34	14.37	-19.35
CC1=CC=C(F)C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038098	0	50	0.0	-28.07	398.76	12.85	-15.22
CC1=CC=C(F)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038099	0	50	0.0	-30.54	390.81	12.72	-17.82
CC1=NC=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038100	0	49	0.0	-33.64	379.47	10.83	-22.81
CC([NH2+]CC1CCCC(C)(C)C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038101	0	59	0.0	-34.41	427.83	13.33	-21.08
CC1=CC(Cl)=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038102	0	50	0.0	-31.84	401.08	13.14	-18.70
CC([NH2+]CC=CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038103	0	51	0.0	-36.19	410.21	13.50	-22.69
CC([NH2+]CC1=CC=C(Cl)N=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038104	0	46	0.0	-38.22	384.94	10.77	-27.45
CC([NH2+]CC1CCCCCC1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038105	0	56	0.0	-33.56	406.00	12.94	-20.62
COC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=N1	REAL300012038106	0	50	0.0	-29.49	400.02	8.79	-20.70
CC(C)N1C=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=N1	REAL300012038107	0	53	0.0	-33.38	415.87	11.33	-22.05
COCC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038108	0	54	0.0	-32.77	427.83	11.85	-20.92
COC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1	REAL300012038111	0	51	0.0	-33.63	402.73	11.41	-22.22
CC([NH2+]CC1=CC=CC=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038113	0	47	0.0	-32.31	371.50	12.07	-20.24
CC([NH2+]CC1=CC=CC(Cl)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038114	0	47	0.0	-36.34	388.82	12.56	-23.78
CC(C)(C)N1C=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=N1	REAL300012038115	0	56	0.0	-37.50	434.86	11.88	-25.62
CC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=CC(C)=C1	REAL300012038116	0	53	0.0	-32.73	414.91	13.38	-19.35
CC([NH2+]CC1=CC=CS1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038118	1	44	0.0	-30.35	363.08	11.24	-19.11
CC([NH2+]CC1=CC=CC=C1Cl)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038119	0	47	0.0	-26.69	384.76	12.62	-14.07
CC([NH2+]CC1=CC=CC([N+](=O)[O-])=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038120	0	49	0.0	-46.61	400.31	12.73	-33.88
CC([NH2+]CC1=CC=C([N+](=O)[O-])C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038121	0	49	0.0	-40.68	401.44	12.80	-27.88
CN(C)C1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1	REAL300012038122	0	55	0.0	-32.83	425.74	12.55	-20.28
CC([NH2+]CC1=CC=C(Cl)C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038123	0	47	0.0	-33.81	389.95	12.63	-21.18
CC([NH2+]CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038124	0	47	0.0	-34.61	379.63	12.18	-22.43
CC([NH2+]CC1=CC=C(F)C=C1F)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038125	0	47	0.0	-37.79	384.81	12.23	-25.56
CC([NH2+]CC1CC=CCC1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038126	0	51	0.0	-33.91	386.58	12.36	-21.55
COC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038127	0	51	0.0	-36.50	401.60	11.35	-25.15
CC(=CC1=CC=CC=C1)C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038128	0	54	0.0	-33.53	421.15	13.93	-19.60
CC(C)C1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1	REAL300012038129	0	56	0.0	-32.02	433.45	14.04	-17.98
CCOC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1	REAL300012038130	0	54	0.0	-33.43	424.58	12.34	-21.09
CC([NH2+]CC1=CC=CC=C1F)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038131	0	47	0.0	-28.31	377.39	12.18	-16.13
CC([NH2+]CC1=CC=CC(F)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038132	0	47	0.0	-37.50	378.50	12.12	-25.38
COC1=CC=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038133	0	51	0.0	-33.28	400.94	11.50	-21.78
CC1=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)SC=C1	REAL300012038134	1	47	0.0	-28.80	379.90	11.76	-17.04
CC1=CC=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038135	0	50	0.0	-30.40	384.34	12.64	-17.76
CC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1	REAL300012038136	0	50	0.0	-32.66	394.97	12.80	-19.86
CC([NH2+]CC1=CC=C(C#N)C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038137	0	48	0.0	-38.82	394.08	12.51	-26.31
CSC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1	REAL300012038138	0	51	0.0	-33.21	413.44	13.13	-20.08
CC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038139	0	50	0.0	-33.16	393.50	12.72	-20.44
CC([NH2+]CC1=CSC=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038140	0	44	0.0	-31.93	363.20	11.08	-20.85
CCC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1	REAL300012038141	0	53	0.0	-32.18	416.11	13.55	-18.63
CC([NH2+]CC1=CC=C(F)C(F)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038142	0	47	0.0	-34.63	384.21	12.19	-22.44
CC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)S1	REAL300012038143	1	47	0.0	-32.80	385.32	12.02	-20.78
COC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1O	REAL300012038144	0	52	0.0	-33.59	411.77	9.21	-24.38
CCC1=NN(C)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038145	0	53	0.0	-35.81	416.21	11.25	-24.56
CC([NH2+]CC1=CC=CN=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038146	0	46	0.0	-33.12	368.06	10.34	-22.78
CC([NH2+]CC1=CC=NC=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038148	0	46	0.0	-34.86	368.10	10.36	-24.50
CN1C=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=N1	REAL300012038151	0	47	0.0	-38.85	374.92	9.87	-28.98
COC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1C	REAL300012038152	0	54	0.0	-33.02	422.34	12.17	-20.85
CC(C)(C)C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038155	0	49	0.0	-32.35	367.99	11.16	-21.19
COC1=CC=C(F)C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038156	0	51	0.0	-30.25	406.84	11.47	-18.78
CSC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)S1	REAL300012038157	1	48	0.0	-31.33	406.37	12.47	-18.86
CC([NH2+]CC1=CC=CC2=C1OCO2)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038158	0	50	0.0	-37.46	398.86	10.79	-26.67
CC([NH2+]CC1=CN=CN=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038159	0	45	0.0	-35.83	362.86	10.14	-25.69
COC1=CC=C(F)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038161	0	51	0.0	-32.97	407.39	11.56	-21.41
CC([NH2+]CC1=CC=C(C(N)=O)C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038163	0	51	0.0	-38.14	407.77	8.90	-29.24
COC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=CC=C1F	REAL300012038164	0	51	0.0	-35.69	407.24	11.43	-24.26
CN1C=NC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038166	0	47	0.0	-37.41	373.01	11.27	-26.14
CC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1Cl	REAL300012038167	0	50	0.0	-33.78	406.97	13.17	-20.61
COC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=CC=C1C	REAL300012038168	0	54	0.0	-32.68	421.08	12.11	-20.57
CC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1F	REAL300012038170	0	50	0.0	-27.54	399.10	12.80	-14.74
CC([NH2+]CC1=CC=C(C#N)C=C1F)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038171	0	48	0.0	-42.20	399.22	12.54	-29.66
CC1=NNC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038172	0	47	0.0	-36.31	371.76	9.19	-27.12
CN1N=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038173	0	47	0.0	-35.03	373.47	9.71	-25.32
CC([NH2+]CC1=CN2C=CC=CC2=N1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038174	0	50	0.0	-30.69	399.83	12.63	-18.06
CC1=NN(C)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038177	0	50	0.0	-36.28	394.73	10.50	-25.78
CCN1C=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=N1	REAL300012038178	0	50	0.0	-33.12	397.11	10.80	-22.32
CC([NH2+]CC1=CC=CC(C(N)=O)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038180	0	51	0.0	-45.97	406.64	8.83	-37.14
COC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1F	REAL300012038183	0	51	0.0	-28.64	408.09	11.46	-17.18
CC([NH2+]CC1=CC=C2CCCC2=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038184	0	54	0.0	-32.27	418.39	14.04	-18.23
CCN1N=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038186	0	50	0.0	-32.74	390.57	10.65	-22.09
CC([NH2+]CC1=CC2=CC=NC=C2C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038187	0	52	0.0	-36.14	414.23	12.59	-23.55
COC1=CC(F)=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038189	0	51	0.0	-34.83	408.77	11.49	-23.34
CC1=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=CS1	REAL300012038190	0	47	0.0	-30.80	380.03	11.84	-18.96
CC([NH2+]CC1=CC=CC(C#N)=N1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038191	0	47	0.0	-33.14	388.80	10.60	-22.54
COC(=O)C1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=CN1	REAL300012038192	0	51	0.0	-45.22	414.65	10.54	-34.68
CC1=NC(F)=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038194	0	49	0.0	-36.66	385.89	10.76	-25.90
COC1=CC(C)=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038195	0	54	0.0	-33.13	422.40	12.15	-20.98
CC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=CS1	REAL300012038196	0	47	0.0	-31.66	385.09	11.87	-19.79
CN1N=NC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038198	0	46	0.0	-39.91	367.59	8.51	-31.40
CC([NH2+]CC1=CC(Cl)=CS1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038199	0	44	0.0	-32.58	379.96	11.76	-20.82
CC1=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)N(C)N=C1	REAL300012038200	0	50	0.0	-32.36	393.22	10.29	-22.07
CC1=CC(Cl)=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038201	0	50	0.0	-31.95	410.99	13.29	-18.66
COCC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1	REAL300012038202	0	54	0.0	-34.07	428.29	11.85	-22.22
CC([NH2+]CC1=CC=C(C2CC2)C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038203	0	54	0.0	-32.95	422.01	14.24	-18.71
C=CN1C=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=N1	REAL300012038205	0	48	0.0	-39.50	386.70	11.06	-28.44
CC([NH2+]CC1=CC=C(C(F)F)C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038206	0	50	0.0	-34.47	405.41	12.99	-21.48
CC1=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=NN1C	REAL300012038207	0	50	0.0	-32.56	391.85	10.38	-22.18
CC([NH2+]CC1=CN=C(C2CC2)N=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038208	0	52	0.0	-36.96	414.09	11.72	-25.24
COCCN1C=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=N1	REAL300012038209	0	54	0.0	-34.12	430.79	9.84	-24.28
CC([NH2+]CC1=CC(C#N)=CS1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038210	0	45	0.0	-39.40	384.11	11.65	-27.75
CC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=CC=C1C#N	REAL300012038211	0	51	0.0	-38.24	412.77	13.03	-25.21
CC(C)CN1C=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=N1	REAL300012038213	0	56	0.0	-32.48	438.43	12.33	-20.15
CC1=NN(C(C)C)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038215	0	56	0.0	-35.08	434.95	11.89	-23.19
CC([NH2+]CC1=NN(C(F)F)C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038219	1	47	0.0	-38.10	388.68	9.98	-28.12
CC([NH2+]CC1=CC=CC(C2CC2)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038222	0	54	0.0	-31.78	422.44	14.20	-17.58
CC1=NN(C)C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038223	0	50	0.0	-35.11	395.41	10.29	-24.82
CC([NH2+]CC1=CC=C(C#N)C(F)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038224	0	48	0.0	-38.98	398.26	12.50	-26.48
CC(C)CN1N=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038225	0	56	0.0	-33.79	435.39	12.08	-21.71
CC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C(Cl)=C1	REAL300012038228	0	50	0.0	-32.47	405.83	13.20	-19.27
CCC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038229	0	53	0.0	-31.29	415.65	13.56	-17.73
COC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C(F)=C1	REAL300012038230	0	51	0.0	-38.01	407.89	11.45	-26.56
CC([NH2+]CC1=CC=CC2=C1CCC2)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038231	0	54	0.0	-31.04	417.43	13.96	-17.08
CC([NH2+]CC1=C2CCCN2N=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038232	0	51	0.0	-33.88	399.47	10.70	-23.18
CC([NH2+]CC1=CC=NN1CC1CC1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038234	0	54	0.0	-30.62	420.90	12.11	-18.51
COCC1=CSC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038235	1	51	0.0	-32.51	418.38	10.98	-21.53
CCCN1N=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038237	0	53	0.0	-32.01	412.08	11.41	-20.60
CCCC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)S1	REAL300012038238	1	53	0.0	-32.66	428.30	13.59	-19.07
CC(C)C1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038239	0	56	0.0	-33.11	432.32	13.97	-19.14
CN1C=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C(Cl)=N1	REAL300012038240	1	47	0.0	-29.89	392.25	10.37	-19.52
CC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C(F)=C1	REAL300012038241	0	50	0.0	-35.78	399.81	12.84	-22.94
CC1=C(C)C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=CS1	REAL300012038242	0	50	0.0	-30.70	397.31	12.40	-18.30
CC1=C(Cl)C=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038243	0	50	0.0	-32.85	398.39	13.07	-19.78
CC([NH2+]CC1=CC(F)=CC(F)=C1O)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038244	1	48	0.0	-34.50	395.07	9.48	-25.02
CC([NH2+]CC1=CC=CC2=NC=CC=C12)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038245	0	52	0.0	-34.62	405.42	12.29	-22.33
CC([NH2+]CC1=CC2=NC=CN=C2C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038246	0	51	0.0	-35.72	408.81	10.54	-25.18
CC([NH2+]CC1=CC=C(Cl)C=N1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038248	0	46	0.0	-37.23	384.94	10.79	-26.44
CC([NH2+]CC1=CN(CCF)N=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038250	0	50	0.0	-37.57	403.71	10.93	-26.64
CCCC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1	REAL300012038252	0	56	0.0	-32.10	437.61	14.34	-17.76
CC([NH2+]CC1=C2C=CC=CC2=NN1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038254	0	50	0.0	-35.32	399.72	10.76	-24.56
CCC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)S1	REAL300012038255	1	50	0.0	-32.80	406.80	12.81	-19.99
CC([NH2+]CC1=CSC=C1Cl)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038258	0	44	0.0	-32.95	377.01	11.52	-21.43
CC([NH2+]CC1CC2CCC1C2)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038259	0	54	0.0	-34.79	397.01	12.76	-22.03
CC([NH2+]CC1=CC=C(F)N=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038260	0	46	0.0	-39.43	374.49	10.29	-29.14
CC1=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)NN=C1	REAL300012038261	0	47	0.0	-32.77	371.32	9.15	-23.62
CC(C)C1CCC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)CC1	REAL300012038263	0	62	0.0	-33.75	450.73	14.23	-19.52
CN1N=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1Cl	REAL300012038264	1	47	0.0	-33.13	391.45	10.27	-22.86
CC1=CN=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038266	0	49	0.0	-32.93	379.90	10.88	-22.05
CC([NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038267	0	54	0.0	-37.07	422.10	14.24	-22.83
CC1=NC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)N1C	REAL300012038270	0	50	0.0	-37.28	393.84	11.12	-26.16
CCOC1=CN=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038272	0	53	0.0	-34.10	419.51	10.53	-23.57
CC([NH2+]CC1=CC=NC=C1Cl)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038273	0	46	0.0	-28.09	380.12	10.84	-17.25
CCC(F)(F)C(C)(C)C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038274	0	55	0.0	-37.21	412.54	12.48	-24.73
CC([NH2+]CC1=CC=NC(F)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038275	0	46	0.0	-38.43	372.81	10.26	-28.17
CC([NH2+]CC1=CC=C2C=CNC2=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038276	0	51	0.0	-34.78	403.46	12.09	-22.69
CC([NH2+]CC1=CC=C(C(F)F)N=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038277	0	49	0.0	-36.46	402.25	11.21	-25.25
COC1=CN=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1C	REAL300012038278	0	53	0.0	-32.93	409.71	10.16	-22.77
CCC1=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C(Cl)=NN1	REAL300012038285	0	50	0.0	-27.79	407.98	10.12	-17.67
CC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=CN=C1F	REAL300012038289	0	49	0.0	-40.16	393.73	10.85	-29.31
CC1=CC(F)=NC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038290	0	49	0.0	-33.87	386.21	10.81	-23.06
COC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C(C)=C1	REAL300012038291	0	54	0.0	-32.47	413.82	11.94	-20.53
CC([NH2+]CC1=CC=CC2=C1OCC2)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038292	0	52	0.0	-35.41	408.58	11.98	-23.43
CN1N=C2CCCC2=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038293	0	54	0.0	-33.70	419.56	11.61	-22.09
CC([NH2+]CC1=CC=NN1C1CCC1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038294	0	54	0.0	-34.00	421.64	11.91	-22.09
CC([NH2+]CC1=CN(C2CCC2)N=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038295	0	54	0.0	-35.93	420.93	11.91	-24.02
COC1=CC=C(C)C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038296	0	54	0.0	-30.16	413.90	11.95	-18.21
CCC1=CC=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038297	0	53	0.0	-30.00	403.35	13.31	-16.69
CC1=CC(F)=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038298	0	50	0.0	-32.48	400.67	12.86	-19.62
CC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C(C)=C1C	REAL300012038299	0	56	0.0	-30.21	419.06	13.75	-16.46
CC1=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=NN1C(C)C	REAL300012038300	0	56	0.0	-31.85	434.27	11.95	-19.90
CCOC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=CC=N1	REAL300012038301	0	53	0.0	-35.92	420.45	9.73	-26.19
CC([NH2+]CC1=NN(CCF)C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038303	1	50	0.0	-37.00	404.20	10.84	-26.16
CCN1C=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C(C)=N1	REAL300012038304	0	53	0.0	-36.52	414.79	11.30	-25.22
CN1N=C(C2CC2)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038305	0	54	0.0	-32.19	424.16	11.73	-20.46
COC1=NC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1F	REAL300012038306	0	50	0.0	-41.28	405.50	8.89	-32.39
CC([NH2+]CC1=CN2C=CN=C2S1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038307	1	47	0.0	-35.95	390.24	12.11	-23.84
CC([NH2+]CC1=CSN=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038309	0	43	0.0	-37.09	356.60	9.71	-27.38
CC([NH2+]CC1=CC=C2CCOC2=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038312	0	52	0.0	-37.85	407.95	11.90	-25.95
CSC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038314	0	51	0.0	-36.59	412.31	13.07	-23.52
CC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=CC(C)=N1	REAL300012038315	0	52	0.0	-35.16	410.96	11.59	-23.57
CCCN1C=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C(C)=N1	REAL300012038316	0	56	0.0	-35.64	437.76	12.12	-23.52
CC([NH2+]CC1=CC(C2CCC2)=NN1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038320	0	54	0.0	-35.00	419.98	11.04	-23.96
COC1=NN(C)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038323	0	51	0.0	-40.23	408.56	7.87	-32.36
COC1=CC(C)=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=N1	REAL300012038326	0	53	0.0	-32.70	411.96	9.34	-23.36
COC1=NC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=CC=C1C	REAL300012038327	0	53	0.0	-29.27	420.16	9.51	-19.76
CCCN1C=NC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038328	0	53	0.0	-33.74	411.13	13.03	-20.71
CC([NH2+]CC1=CC=CNC1=O)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038329	0	47	0.0	-32.41	376.47	9.05	-23.36
CC([NH2+]CC1=CC(C2CC2)=NN1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038330	0	51	0.0	-35.11	404.45	10.59	-24.52
CC(C)(C)C1=NNC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1	REAL300012038332	0	56	0.0	-34.11	435.19	10.96	-23.15
CC([NH2+]CC=CC1=CC=CC=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038333	0	51	0.0	-36.83	404.03	13.40	-23.43
CC([NH2+]CC1=CN=NN1C1CC1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038334	0	50	0.0	-39.26	399.47	10.12	-29.14
CC([NH2+]CC1=CN(CCO)N=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038335	0	51	0.0	-34.90	408.53	7.44	-27.46
CC([NH2+]CC=CC1=CC=NC=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038336	0	50	0.0	-37.20	398.82	11.67	-25.53
C=CC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1	REAL300012038337	0	51	0.0	-32.75	404.35	13.21	-19.54
CC([NH2+]CC1=CC2=CN=CC=C2C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038338	0	52	0.0	-36.59	414.23	12.61	-23.98
CC([NH2+]CC1=CC=CC(C(F)F)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038340	0	50	0.0	-39.15	406.26	12.99	-26.16
CC([NH2+]CC1=CSC(Cl)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038341	0	44	0.0	-31.47	379.79	11.69	-19.78
CC([NH2+]CC1=CC=CC=C1C(F)F)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038345	0	50	0.0	-35.53	396.03	13.09	-22.44
CC([NH2+]CC1=CC2=CNN=C2C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038346	0	50	0.0	-42.70	398.35	10.78	-31.92
CC1=C(F)C=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038347	0	50	0.0	-33.93	389.65	12.67	-21.26
CC1=NC(Cl)=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038348	0	49	0.0	-35.56	396.36	11.25	-24.31
COC1=CC(C)=NC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038349	0	53	0.0	-30.65	418.50	10.33	-20.32
CC([NH2+]CC1=CC(F)=CC(C#N)=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038352	0	48	0.0	-40.33	400.12	12.58	-27.75
COC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C(C)=N1	REAL300012038353	0	53	0.0	-34.03	411.65	9.30	-24.73
CC1=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=NS1	REAL300012038354	0	46	0.0	-32.57	374.40	10.52	-22.05
CC([NH2+]CC1=CC=C(CF)C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038356	0	50	0.0	-34.61	401.21	12.94	-21.67
CC1=NSC(C)=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038357	0	49	0.0	-33.70	394.60	10.94	-22.76
C=CCN1C=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)C=N1	REAL300012038358	0	51	0.0	-37.08	409.92	11.35	-25.73
CC([NH2+]CC1=CC2=NNC=C2C=C1)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038359	0	50	0.0	-34.99	399.01	10.83	-24.16
CCCN1N=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=C(OC3=CC=CC=C3)C=C2)=C1C	REAL300012038361	0	56	0.0	-32.19	436.98	11.97	-20.22
CCCN1N=C(C)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300012038362	0	56	0.0	-32.00	434.01	12.00	-20.00
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012038364	0	47	0.0	-39.98	330.69	9.67	-30.31
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012038365	0	60	0.0	-40.55	434.44	12.35	-28.20
CC(C)(C)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038366	0	54	0.0	-42.46	372.58	11.83	-30.63
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Br)O1	REAL300012038367	0	39	0.0	-34.38	296.38	8.04	-26.34
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038368	0	52	0.0	-42.39	377.12	11.12	-31.27
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OC(F)F	REAL300012038369	0	50	0.0	-50.06	364.95	8.98	-41.08
CCOC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300012038370	0	53	0.0	-39.44	374.53	9.29	-30.15
CCCCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038371	0	58	0.0	-39.78	414.26	11.83	-27.95
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012038372	0	51	0.0	-48.16	384.44	12.10	-36.06
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012038373	0	51	0.0	-40.43	382.36	11.73	-28.70
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1Br	REAL300012038374	0	46	0.0	-40.94	343.85	9.14	-31.80
CCCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300012038375	0	59	0.0	-40.29	417.53	10.88	-29.41
CCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300012038376	0	56	0.0	-47.22	398.54	10.42	-36.80
C=CCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300012038377	0	54	0.0	-47.68	389.95	10.21	-37.47
CCCCCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300012038378	0	65	0.0	-40.15	460.52	12.44	-27.71
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012038379	0	49	0.0	-32.88	368.75	11.81	-21.07
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012038380	0	49	0.0	-35.27	375.76	11.77	-23.50
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012038381	0	49	0.0	-34.55	376.93	12.72	-21.83
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012038382	0	52	0.0	-39.32	380.08	10.90	-28.42
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012038383	0	51	0.0	-37.87	378.30	12.35	-25.52
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012038384	0	48	0.0	-38.44	366.77	10.22	-28.22
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012038385	0	46	0.0	-45.59	352.48	11.00	-34.59
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(Cl)=C1	REAL300012038386	0	46	0.0	-31.46	335.25	8.95	-22.51
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012038387	0	46	0.0	-46.05	342.08	9.33	-36.72
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012038388	0	51	0.0	-39.85	388.39	12.87	-26.98
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012038389	0	51	0.0	-39.56	388.83	12.57	-26.99
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC2=CC=CC=C12	REAL300012038390	0	45	0.0	-35.72	332.85	10.62	-25.10
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012038391	0	48	0.0	-45.72	342.13	10.03	-35.69
CC1=CC=C(C2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])O2)C=C1	REAL300012038392	0	52	0.0	-32.47	373.43	11.96	-20.51
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012038393	0	57	0.0	-41.02	406.74	9.85	-31.17
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Cl)S1	REAL300012038394	0	39	0.0	-33.73	299.63	9.15	-24.58
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012038395	0	49	0.0	-35.03	366.61	12.27	-22.76
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012038396	0	47	0.0	-38.74	330.98	9.75	-28.99
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012038397	0	49	0.0	-42.99	356.77	10.44	-32.55
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012038398	0	48	0.0	-43.99	349.17	11.80	-32.19
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012038399	0	49	0.0	-33.41	380.59	12.52	-20.89
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012038400	0	59	0.0	-50.69	431.83	10.91	-39.78
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012038401	0	49	0.0	-33.98	372.99	12.17	-21.81
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012038402	0	45	0.0	-33.71	349.46	10.82	-22.89
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012038403	0	42	0.0	-32.04	312.17	9.73	-22.31
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012038404	0	42	0.0	-50.62	319.03	10.07	-40.55
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012038405	0	45	0.0	-40.08	338.25	10.23	-29.85
CCOC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038406	0	49	0.0	-34.44	345.29	9.40	-25.04
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012038407	0	42	0.0	-35.57	324.12	10.35	-25.22
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012038408	0	42	0.0	-53.21	315.35	9.66	-43.55
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012038409	0	45	0.0	-41.35	341.31	10.32	-31.03
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012038410	0	45	0.0	-34.96	342.13	10.39	-24.57
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(Cl)=C1OC	REAL300012038411	0	50	0.0	-48.15	370.13	9.13	-39.02
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012038412	0	45	0.0	-35.03	336.03	10.86	-24.17
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012038413	0	42	0.0	-50.76	319.04	10.08	-40.68
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012038414	0	49	0.0	-34.28	378.51	12.48	-21.80
N#CC1=CC=CC(COC2=CC=CC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=C2)=C1	REAL300012038415	0	57	0.0	-39.55	426.06	12.84	-26.71
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012038416	0	53	0.0	-50.27	396.62	10.09	-40.18
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012038417	0	55	0.0	-49.24	402.22	11.04	-38.20
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012038418	0	48	0.0	-42.12	360.69	9.06	-33.06
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012038419	0	52	0.0	-39.72	395.40	11.43	-28.29
COCCOC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038420	0	53	0.0	-36.08	378.91	8.67	-27.41
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300012038421	0	46	0.0	-41.04	339.47	9.03	-32.01
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012038422	0	47	0.0	-32.26	352.04	8.32	-23.94
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=N1	REAL300012038423	0	58	0.0	-48.73	413.72	9.20	-39.53
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012038424	0	49	0.0	-36.26	364.86	9.87	-26.39
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012038425	0	48	0.0	-39.52	338.76	8.45	-31.07
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012038426	0	51	0.0	-40.57	357.56	9.24	-31.33
CCCOC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038427	0	52	0.0	-37.53	366.79	10.20	-27.33
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012038428	0	49	0.0	-34.87	359.98	11.76	-23.11
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012038429	0	56	0.0	-32.26	387.06	11.67	-20.59
CC(C)OC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038430	0	52	0.0	-34.32	363.22	10.03	-24.29
CC1=CC=C(C2=NC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CS2)C=C1	REAL300012038431	0	51	0.0	-37.28	381.77	10.81	-26.47
CC(C)C1=NC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CS1	REAL300012038432	0	47	0.0	-35.85	343.28	8.38	-27.47
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012038433	0	56	0.0	-36.85	408.92	12.62	-24.23
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012038434	0	52	0.0	-38.81	391.95	9.66	-29.15
CC1=CC=C(OCC2=NC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CS2)C=C1	REAL300012038435	0	55	0.0	-38.78	413.36	10.32	-28.46
CC(C)(C)C1=NC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CS1	REAL300012038436	0	50	0.0	-38.29	362.70	9.08	-29.21
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012038437	0	45	0.0	-40.02	351.29	9.26	-30.76
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012038438	0	49	0.0	-34.89	368.19	12.02	-22.87
CC1=CC=C(C2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])S2)C=C1	REAL300012038439	0	52	0.0	-33.98	381.61	12.88	-21.10
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038440	0	46	0.0	-41.09	358.17	9.68	-31.41
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012038441	0	42	0.0	-35.61	328.69	10.46	-25.15
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012038442	0	42	0.0	-34.60	327.70	10.47	-24.13
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012038443	0	53	0.0	-39.92	399.93	12.23	-27.69
CCOC1=C(OC)C=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300012038444	0	57	0.0	-45.44	412.17	9.30	-36.14
CC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CN=C1Cl	REAL300012038445	0	44	0.0	-36.30	320.24	8.55	-27.75
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012038446	0	62	0.0	-35.78	448.19	14.01	-21.77
CC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012038447	0	55	0.0	-38.33	398.50	11.02	-27.31
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])S2)C=C1	REAL300012038448	0	51	0.0	-37.20	382.38	10.93	-26.27
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012038449	0	47	0.0	-37.87	352.35	10.28	-27.59
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012038450	0	49	0.0	-37.17	368.67	11.23	-25.94
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])O1	REAL300012038451	0	52	0.0	-35.56	381.08	11.81	-23.75
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])O2)C=C1	REAL300012038452	0	55	0.0	-32.31	394.91	12.73	-19.58
COC1=CC=C2OC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CC2=C1	REAL300012038453	0	49	0.0	-37.99	353.32	9.02	-28.97
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012038454	0	46	0.0	-35.37	339.55	11.21	-24.16
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=COC2=CC=CC=C12	REAL300012038455	0	45	0.0	-39.52	321.85	9.56	-29.96
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012038456	0	50	0.0	-44.91	362.77	11.31	-33.60
CC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1Br	REAL300012038457	0	45	0.0	-34.68	333.42	10.36	-24.32
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012038458	0	46	0.0	-37.74	334.74	10.79	-26.95
CC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300012038459	0	45	0.0	-37.15	333.42	10.36	-26.79
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012038460	0	49	0.0	-41.28	355.32	10.63	-30.65
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C(Cl)SC=C1	REAL300012038461	0	39	0.0	-30.30	298.16	8.71	-21.59
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012038462	0	47	0.0	-35.34	351.04	9.69	-25.65
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012038463	0	46	0.0	-40.73	330.39	9.33	-31.40
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012038464	0	46	0.0	-39.72	332.22	9.19	-30.53
CCOC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=N1	REAL300012038465	0	48	0.0	-30.89	340.80	6.98	-23.91
CC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC2=CC=CN=C12	REAL300012038466	0	50	0.0	-43.54	357.08	10.43	-33.11
CC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300012038467	0	45	0.0	-37.12	329.39	10.27	-26.85
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012038468	0	44	0.0	-42.14	327.71	8.72	-33.42
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])O2)C=C1	REAL300012038469	0	61	0.0	-32.07	428.14	13.61	-18.46
CCCC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038470	0	51	0.0	-32.36	354.06	11.53	-20.83
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038471	0	60	0.0	-36.40	431.15	14.00	-22.40
CCN(CC)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1F	REAL300012038472	0	56	0.0	-48.92	396.90	10.68	-38.24
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C(SC)C=C1OC	REAL300012038473	0	54	0.0	-38.56	392.90	9.47	-29.09
COC1=CC=C2N=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])SC2=C1	REAL300012038474	0	48	0.0	-40.41	357.49	8.05	-32.36
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038475	0	48	0.0	-42.82	359.45	10.39	-32.43
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1C#N	REAL300012038476	0	47	0.0	-42.34	343.65	8.89	-33.45
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012038477	0	46	0.0	-45.32	345.90	10.80	-34.52
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012038478	0	46	0.0	-42.40	339.42	8.82	-33.58
CCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])N=C1	REAL300012038479	0	48	0.0	-33.20	340.34	7.55	-25.65
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038480	0	48	0.0	-40.03	349.70	10.88	-29.15
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC(Cl)=C1OC	REAL300012038481	0	50	0.0	-44.62	374.55	9.07	-35.55
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OCC(C)C	REAL300012038482	0	59	0.0	-39.02	416.13	10.77	-28.25
CCCOC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300012038483	0	56	0.0	-39.15	396.03	10.09	-29.06
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Br)S1	REAL300012038484	0	39	0.0	-33.68	304.26	9.26	-24.42
CCOC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC(Cl)=C1OC	REAL300012038485	0	53	0.0	-42.64	394.49	9.93	-32.71
C=CCOC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038486	0	50	0.0	-34.53	358.19	9.99	-24.54
CCOC1=C(Cl)C=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300012038487	0	53	0.0	-44.49	396.40	10.03	-34.46
CCCCOC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300012038488	0	59	0.0	-39.15	417.53	10.88	-28.27
CCCOC1=C(Cl)C=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OCC	REAL300012038489	0	59	0.0	-42.53	437.85	11.69	-30.84
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC(F)F	REAL300012038490	0	50	0.0	-36.74	362.43	8.66	-28.08
CCOC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OC(F)F	REAL300012038491	0	53	0.0	-41.98	384.29	9.57	-32.41
CC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012038492	0	52	0.0	-44.23	374.07	10.41	-33.82
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC2=C1OCCO2	REAL300012038493	0	52	0.0	-44.54	369.54	8.26	-36.28
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012038494	0	51	0.0	-40.92	393.41	10.77	-30.15
CC1=CC(C)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1C	REAL300012038495	0	51	0.0	-33.59	349.83	10.96	-22.63
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012038496	0	49	0.0	-34.04	360.21	12.20	-21.84
CCCOC1=C(Cl)C=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300012038497	0	56	0.0	-44.48	417.90	10.83	-33.65
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012038498	0	49	0.0	-36.60	368.88	11.25	-25.35
CC(CCC1=CC=CC=C1)C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038499	0	54	0.0	-41.26	371.50	12.45	-28.81
CC1(C)CCC2=C(C1)SC(C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-])=N2	REAL300012038500	0	54	0.0	-37.67	380.05	9.90	-27.77
CC1=C(C)C=C2OC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CC2=C1	REAL300012038501	0	51	0.0	-40.58	361.70	11.09	-29.49
CCCC1CCC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])CC1	REAL300012038502	0	57	0.0	-38.97	377.10	11.67	-27.30
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012038503	0	49	0.0	-45.53	354.37	11.62	-33.91
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012038504	0	49	0.0	-36.18	367.31	11.33	-24.85
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012038505	0	48	0.0	-42.27	356.31	8.93	-33.34
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012038506	0	55	0.0	-46.92	405.31	13.91	-33.01
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012038507	0	51	0.0	-42.41	374.74	9.72	-32.69
COC1=CC=C(C)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038508	0	49	0.0	-32.98	345.20	9.31	-23.67
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1F	REAL300012038509	0	46	0.0	-43.06	329.66	8.55	-34.51
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012038510	0	51	0.0	-39.59	346.89	10.34	-29.25
CC(C)C1CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])CCO1	REAL300012038511	0	55	0.0	-35.54	363.79	9.29	-26.25
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012038512	0	49	0.0	-46.59	371.09	9.94	-36.65
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012038513	0	48	0.0	-36.93	372.41	9.80	-27.13
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012038514	0	48	0.0	-39.54	371.45	9.61	-29.93
CCSC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038515	0	49	0.0	-34.05	355.61	11.03	-23.02
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012038516	1	43	0.0	-38.96	329.72	7.07	-31.89
CCN1N=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C2=CC=CC=C21	REAL300012038517	0	51	0.0	-36.62	358.50	9.99	-26.63
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012038518	0	39	0.0	-36.67	321.66	9.48	-27.19
CCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038519	0	52	0.0	-45.07	368.93	10.56	-34.51
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012038520	0	49	0.0	-35.93	386.06	12.03	-23.90
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012038521	0	45	0.0	-40.67	323.40	9.88	-30.79
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012038522	0	49	0.0	-35.11	354.18	11.06	-24.05
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300012038523	0	56	0.0	-40.28	392.46	9.91	-30.37
CCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OCC	REAL300012038524	0	59	0.0	-39.06	417.88	11.02	-28.04
CC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012038525	0	47	0.0	-40.13	338.14	10.37	-29.76
CC(C)OC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038526	0	52	0.0	-44.36	365.37	10.38	-33.98
CCCCCCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038527	0	64	0.0	-39.79	457.26	13.39	-26.40
CC(C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012038528	0	63	0.0	-41.75	426.77	13.98	-27.77
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012038529	0	46	0.0	-36.17	325.29	9.18	-26.99
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C(Br)C=CS1	REAL300012038530	0	39	0.0	-33.78	308.13	8.97	-24.81
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(F)=CC=C1Br	REAL300012038531	0	42	0.0	-35.22	317.37	10.02	-25.20
CC(C)CC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038532	0	54	0.0	-37.05	379.60	11.92	-25.13
CC1=CC=C(C2=CC=CC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=C2)C=C1	REAL300012038533	0	55	0.0	-35.32	385.27	13.40	-21.92
COC1=CC=C(Br)C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038534	0	46	0.0	-34.57	340.45	9.24	-25.33
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012038535	0	48	0.0	-44.10	349.46	9.91	-34.19
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012038536	0	42	0.0	-43.63	328.98	10.36	-33.27
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012038537	0	42	0.0	-40.00	318.98	9.81	-30.19
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Br)=CO1	REAL300012038538	0	39	0.0	-44.03	298.08	8.23	-35.80
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038539	0	55	0.0	-35.19	385.75	13.40	-21.79
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012038540	0	48	0.0	-47.29	373.31	11.35	-35.94
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012038541	0	46	0.0	-38.27	333.19	8.76	-29.51
CCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OCC	REAL300012038542	0	56	0.0	-40.33	396.39	10.21	-30.12
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012038543	0	42	0.0	-32.76	315.12	9.75	-23.01
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012038544	0	45	0.0	-39.19	345.83	10.59	-28.60
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(F)C=C1Br	REAL300012038545	0	42	0.0	-31.50	315.74	9.84	-21.66
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012038546	0	46	0.0	-36.44	339.93	8.97	-27.47
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012038547	0	42	0.0	-37.43	316.80	9.91	-27.52
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038548	0	56	0.0	-45.17	404.61	12.57	-32.60
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012038549	0	52	0.0	-35.92	393.21	12.08	-23.84
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012038550	0	42	0.0	-42.33	313.07	9.74	-32.59
CN1C2=CC=CC=C2N=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038551	0	48	0.0	-38.03	343.11	9.60	-28.43
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(Br)=C1O	REAL300012038552	0	47	0.0	-46.77	351.11	7.06	-39.71
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C2OCCC2=C1	REAL300012038553	0	47	0.0	-39.82	331.73	9.08	-30.74
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC(Br)=C1	REAL300012038554	0	39	0.0	-35.28	305.58	8.86	-26.42
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012038555	0	59	0.0	-42.86	429.28	10.56	-32.30
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012038556	0	52	0.0	-34.18	363.88	12.72	-21.46
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012038557	0	53	0.0	-41.27	369.76	9.15	-32.12
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012038558	0	46	0.0	-36.15	329.73	9.36	-26.79
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012038559	0	42	0.0	-50.62	323.45	10.17	-40.45
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012038560	0	51	0.0	-34.83	365.65	11.05	-23.78
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012038561	0	51	0.0	-38.44	358.89	10.95	-27.49
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012038562	0	51	0.0	-37.75	359.07	10.97	-26.78
CN1CCN(C2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012038563	1	59	0.0	-44.38	405.53	8.19	-36.19
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012038564	0	51	0.0	-44.10	379.82	7.74	-36.36
CNC(=O)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038565	0	49	0.0	-54.96	352.55	7.80	-47.16
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012038566	0	49	0.0	-41.67	361.08	10.52	-31.15
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012038567	0	49	0.0	-41.24	371.40	10.97	-30.27
CC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012038568	0	61	0.0	-44.90	443.64	12.55	-32.35
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012038569	0	49	0.0	-43.40	369.33	9.93	-33.47
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012038570	0	48	0.0	-36.99	340.05	11.43	-25.56
COC1=C2OC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CC2=CC=C1	REAL300012038571	0	49	0.0	-41.63	352.90	9.18	-32.45
CC(C)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012038572	0	53	0.0	-49.24	381.51	12.00	-37.24
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012038573	0	45	0.0	-40.89	341.29	8.45	-32.44
CCOC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OCC(C)C	REAL300012038574	0	62	0.0	-38.78	437.99	11.70	-27.08
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Br)=CC=C1F	REAL300012038575	0	42	0.0	-37.50	321.37	10.02	-27.48
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Br)C=C1F	REAL300012038576	0	42	0.0	-32.78	319.69	9.86	-22.92
COC1=CC(OC)=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038577	0	50	0.0	-37.29	352.93	7.79	-29.50
COC1=CC2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=C2C=C1	REAL300012038578	0	52	0.0	-37.95	365.01	10.86	-27.09
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Br)=CS1	REAL300012038580	0	39	0.0	-33.68	307.66	8.98	-24.70
CCCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OCC	REAL300012038581	0	62	0.0	-38.99	439.38	11.80	-27.19
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012038582	0	46	0.0	-33.03	352.31	9.97	-23.06
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012038583	0	48	0.0	-31.45	339.29	8.30	-23.15
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012038585	0	42	0.0	-50.69	323.45	10.16	-40.53
CC1=CC=C(COC2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300012038586	0	59	0.0	-46.71	428.75	13.49	-33.22
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012038587	0	57	0.0	-37.81	391.35	10.52	-27.29
CCCCCCOC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038588	0	61	0.0	-34.25	431.28	12.55	-21.70
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1SC	REAL300012038589	0	50	0.0	-47.39	365.36	9.85	-37.54
N#CCCCOC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038590	0	53	0.0	-41.11	387.64	10.72	-30.39
CCCCCOC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300012038591	0	62	0.0	-39.12	439.03	11.66	-27.46
CCC(C)OC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300012038592	0	59	0.0	-39.69	413.23	10.71	-28.98
CCCCCCCOC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038593	0	64	0.0	-34.11	452.78	13.33	-20.78
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OCCCC#N	REAL300012038594	0	57	0.0	-49.62	416.88	10.61	-39.01
C=C(C)COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300012038595	0	57	0.0	-40.11	406.85	10.65	-29.46
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OCCC(C)C	REAL300012038596	0	62	0.0	-39.15	435.10	11.40	-27.75
C=CCC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC(OC)=C1O	REAL300012038597	0	54	0.0	-41.31	390.71	8.39	-32.92
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012038598	0	49	0.0	-41.05	351.50	9.22	-31.83
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012038599	0	48	0.0	-41.30	348.42	9.19	-32.11
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012038600	0	48	0.0	-39.92	357.09	9.95	-29.97
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012038601	0	55	0.0	-49.95	390.49	8.64	-41.31
CN1C=NC2=CC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300012038602	0	48	0.0	-41.92	337.97	10.65	-31.27
C=CCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300012038603	0	50	0.0	-41.25	374.22	10.54	-30.71
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012038604	0	48	0.0	-36.85	357.26	10.46	-26.39
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C2OC(C)CC2=C1	REAL300012038605	0	54	0.0	-36.16	381.86	9.15	-27.01
CC1(C)CC2=CC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300012038606	0	53	0.0	-38.36	371.33	10.41	-27.95
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012038607	0	48	0.0	-34.86	350.59	7.61	-27.25
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012038608	0	45	0.0	-30.29	348.25	9.22	-21.07
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012038609	0	45	0.0	-40.57	351.63	10.76	-29.81
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012038610	0	42	0.0	-31.48	327.04	10.27	-21.21
CC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300012038611	0	45	0.0	-29.17	330.75	10.44	-18.73
CC(C)COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038612	0	55	0.0	-44.82	389.04	11.25	-33.57
COCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038613	0	53	0.0	-47.58	381.06	9.03	-38.55
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038614	0	57	0.0	-39.84	422.68	12.87	-26.97
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012038615	0	46	0.0	-40.92	349.22	9.30	-31.62
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012038616	0	50	0.0	-37.21	384.82	10.86	-26.35
COC1=CC2=C(C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-])OCO2	REAL300012038617	0	49	0.0	-37.64	348.04	7.19	-30.45
CC(C)COC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038618	0	55	0.0	-34.12	386.89	10.90	-23.22
CC1=CC(Cl)=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038619	0	45	0.0	-38.13	327.35	10.38	-27.75
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012038620	0	46	0.0	-36.15	329.23	10.76	-25.39
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=CC(Br)=C1	REAL300012038621	0	41	0.0	-38.70	310.10	8.00	-30.70
CN1N=NC2=CC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300012038622	0	47	0.0	-41.87	337.91	7.63	-34.24
CC1(C)CC2=CC=CC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=C2O1	REAL300012038623	0	53	0.0	-38.54	373.06	10.45	-28.09
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012038624	0	47	0.0	-35.18	355.60	9.79	-25.39
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012038625	0	49	0.0	-35.88	352.34	10.37	-25.51
CC1=C(Br)SC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038626	0	42	0.0	-34.02	325.43	9.61	-24.41
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012038627	0	47	0.0	-39.17	352.21	10.22	-28.95
CC1=NC2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=C2C=C1	REAL300012038628	0	50	0.0	-40.30	352.28	10.28	-30.02
COC1=CC=C(OC2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300012038629	0	57	0.0	-42.52	415.70	11.44	-31.08
CC1=CC(C2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=C2)=CC(C)=C1	REAL300012038630	0	58	0.0	-40.13	415.42	13.98	-26.15
CC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012038631	0	51	0.0	-44.84	362.83	12.63	-32.21
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012038632	0	45	0.0	-45.02	330.29	10.14	-34.88
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012038633	0	49	0.0	-50.92	360.45	10.08	-40.84
COCC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038634	0	49	0.0	-34.35	344.74	9.04	-25.31
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038635	0	52	0.0	-42.10	389.90	11.45	-30.65
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012038636	0	56	0.0	-36.24	411.61	12.53	-23.71
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012038637	0	53	0.0	-40.80	396.46	13.33	-27.47
COC1=CC(C)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300012038638	0	53	0.0	-38.04	369.01	9.00	-29.04
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038639	0	48	0.0	-43.16	359.52	10.39	-32.77
CSC1=CC(Br)=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038640	0	46	0.0	-36.02	350.95	10.71	-25.31
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012038641	0	52	0.0	-46.02	386.50	10.97	-35.05
CC1CCC2=C(C1)SC(C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-])=N2	REAL300012038642	0	51	0.0	-36.50	363.32	9.54	-26.96
CC(C)(C)C1CCC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])CC1	REAL300012038643	0	60	0.0	-37.80	378.31	11.41	-26.39
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038644	0	56	0.0	-37.30	396.20	11.96	-25.34
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038645	0	55	0.0	-39.24	395.94	10.36	-28.88
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012038646	0	53	0.0	-40.16	381.44	11.04	-29.12
COC1=CC(Cl)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300012038647	0	46	0.0	-37.79	352.91	9.67	-28.12
CC(C)CC1=NC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1	REAL300012038648	0	50	0.0	-35.63	358.63	9.40	-26.23
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012038649	0	45	0.0	-38.56	352.74	9.33	-29.23
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012038650	0	45	0.0	-44.17	352.61	9.46	-34.71
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])S2)O1	REAL300012038651	0	48	0.0	-40.06	365.55	9.17	-30.89
CC1=CC(Br)=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038652	0	45	0.0	-38.09	331.91	10.48	-27.61
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012038653	0	42	0.0	-49.57	332.57	10.58	-38.99
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012038654	0	51	0.0	-43.30	368.88	10.86	-32.44
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012038655	0	45	0.0	-37.76	339.64	10.30	-27.46
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012038656	0	42	0.0	-30.90	326.07	10.28	-20.62
COC1=C(Br)C=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038657	0	46	0.0	-40.19	341.25	9.28	-30.91
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NC2=C(CCC2)S1	REAL300012038658	0	45	0.0	-37.72	324.56	8.35	-29.37
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012038659	0	49	0.0	-33.40	358.43	11.36	-22.04
CC(C)(C)C1=NC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1	REAL300012038660	0	50	0.0	-37.56	362.68	9.03	-28.53
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012038661	0	48	0.0	-45.67	340.95	8.66	-37.01
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(Br)=C1	REAL300012038662	0	42	0.0	-34.77	315.22	9.79	-24.98
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012038663	0	49	0.0	-41.30	354.67	10.45	-30.85
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012038664	0	52	0.0	-40.28	392.71	11.38	-28.90
CC(C)(C)N1C=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=N1	REAL300012038665	0	51	0.0	-41.12	358.60	9.06	-32.06
CC(=O)NC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038666	0	49	0.0	-51.66	352.58	8.41	-43.25
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012038667	0	44	0.0	-40.86	322.15	9.85	-31.01
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012038668	0	44	0.0	-54.88	324.29	10.20	-44.68
CN(C)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038669	0	50	0.0	-42.97	348.60	9.96	-33.01
CCN(CC)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038670	0	56	0.0	-42.16	391.21	11.84	-30.32
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Br)C=C1	REAL300012038671	0	42	0.0	-45.67	317.37	10.15	-35.52
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC(OC)=C1OC	REAL300012038672	0	54	0.0	-45.42	390.31	8.35	-37.07
COC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1OC	REAL300012038673	0	50	0.0	-40.42	350.04	8.49	-31.93
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012038674	0	42	0.0	-31.47	322.50	10.17	-21.30
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012038675	0	55	0.0	-45.25	380.32	8.32	-36.93
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300012038676	0	50	0.0	-47.74	355.19	8.70	-39.04
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(OC)=C1	REAL300012038677	0	50	0.0	-37.65	351.53	7.83	-29.82
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012038678	0	45	0.0	-48.03	335.12	10.51	-37.52
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012038679	0	42	0.0	-40.38	319.52	10.15	-30.23
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012038680	0	42	0.0	-49.55	328.36	10.47	-39.08
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038681	0	63	0.0	-43.62	446.13	14.65	-28.97
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012038682	0	46	0.0	-45.97	335.33	9.11	-36.86
CCCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038683	0	55	0.0	-39.87	392.76	11.04	-28.83
CC(C)CCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038684	0	58	0.0	-45.00	408.00	11.86	-33.14
CCCCCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038685	0	61	0.0	-39.79	435.76	12.61	-27.18
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012038686	0	53	0.0	-34.98	382.65	12.01	-22.97
CC(=CC1=CC=CC=C1)C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038687	0	49	0.0	-35.91	339.56	11.22	-24.69
CCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300012038688	0	53	0.0	-47.46	377.04	9.62	-37.84
CC(C)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038689	0	51	0.0	-42.50	356.30	11.46	-31.04
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012038690	0	45	0.0	-36.12	332.99	10.20	-25.92
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(OC)=C1OC	REAL300012038691	0	54	0.0	-42.21	390.37	8.50	-33.71
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012038692	0	60	0.0	-48.80	436.95	12.68	-36.12
CCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038693	0	49	0.0	-45.35	347.43	9.76	-35.59
COC1=CC=C(Br)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038694	0	46	0.0	-42.05	345.07	9.43	-32.62
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC(Br)=C1O	REAL300012038695	0	47	0.0	-44.33	356.51	7.01	-37.32
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012038696	0	52	0.0	-45.40	370.60	12.92	-32.48
CSC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038697	0	46	0.0	-45.52	336.29	10.56	-34.96
COC1=CC(OC)=C(OC)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038698	0	54	0.0	-39.00	385.36	7.89	-31.11
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012038699	0	56	0.0	-35.30	405.20	12.46	-22.84
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC=C1Br	REAL300012038700	0	42	0.0	-35.49	310.22	9.72	-25.77
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1O	REAL300012038701	0	47	0.0	-38.66	334.19	6.32	-32.34
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012038702	0	45	0.0	-41.78	338.06	8.41	-33.37
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC=C1I	REAL300012038703	0	42	0.0	-34.30	315.25	10.15	-24.15
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012038704	0	59	0.0	-50.40	419.45	12.75	-37.65
CN(CCC#N)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038705	0	54	0.0	-41.75	392.29	11.09	-30.66
CCOC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1OC	REAL300012038706	0	53	0.0	-40.37	371.89	9.41	-30.96
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OCC(N)=O	REAL300012038707	0	54	0.0	-52.70	391.26	6.34	-46.36
CCNC(=O)COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300012038708	0	60	0.0	-51.81	434.68	8.62	-43.19
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC2=C1OCO2	REAL300012038709	0	49	0.0	-41.88	349.51	7.12	-34.76
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012038710	0	48	0.0	-37.65	350.39	9.00	-28.65
COC1=CC2=C(C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-])OC(C)C2	REAL300012038711	0	54	0.0	-34.81	378.93	9.13	-25.68
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012038712	0	58	0.0	-59.35	426.84	6.43	-52.92
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012038713	0	54	0.0	-53.75	413.13	7.05	-46.70
CCN(C(C)=O)C1=NC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CS1	REAL300012038714	0	51	0.0	-36.06	372.27	9.00	-27.06
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1C	REAL300012038715	0	49	0.0	-36.51	343.51	9.22	-27.29
COC1=CC=C(F)C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038716	0	46	0.0	-37.32	329.56	8.68	-28.64
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(I)=C1	REAL300012038717	0	42	0.0	-34.39	321.71	10.27	-24.12
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(I)C=C1	REAL300012038718	0	42	0.0	-45.53	323.85	10.62	-34.91
CSC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1	REAL300012038719	0	43	0.0	-33.95	325.88	9.75	-24.20
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC2=C1OCO2	REAL300012038720	0	45	0.0	-40.40	316.79	7.91	-32.49
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C(Cl)C=CS1	REAL300012038721	0	39	0.0	-33.98	303.97	8.88	-25.10
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038722	0	48	0.0	-53.90	356.77	7.06	-46.84
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012038723	0	52	0.0	-40.42	389.34	13.17	-27.25
COC1=CC=C(F)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038724	0	46	0.0	-42.90	330.17	8.88	-34.02
NC(=O)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038725	0	46	0.0	-54.79	330.62	6.31	-48.48
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300012038726	0	46	0.0	-49.68	332.17	8.87	-40.81
COC1=CC=C(Cl)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038727	0	46	0.0	-42.23	340.50	9.33	-32.90
COC(=O)C1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CN1C	REAL300012038728	0	49	0.0	-35.00	351.20	9.59	-25.41
CC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300012038729	0	45	0.0	-34.80	329.39	10.28	-24.52
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1C	REAL300012038730	0	49	0.0	-36.35	343.51	9.22	-27.13
N#CC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300012038731	0	43	0.0	-37.41	319.20	9.61	-27.80
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012038732	0	55	0.0	-37.71	397.97	10.76	-26.95
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Br)C=N1	REAL300012038733	0	41	0.0	-40.49	312.74	8.27	-32.22
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012038734	0	51	0.0	-41.19	373.39	6.66	-34.53
C#CCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038735	0	51	0.0	-40.44	377.05	10.79	-29.65
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012038736	0	45	0.0	-34.75	320.90	9.68	-25.07
CC1=NN(C)C2=NC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=C12	REAL300012038737	0	50	0.0	-45.73	362.11	8.97	-36.76
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC(C2CC2)=N1	REAL300012038738	0	45	0.0	-31.43	332.41	8.44	-22.99
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012038739	0	45	0.0	-34.06	337.62	10.19	-23.87
CCOCC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300012038740	0	56	0.0	-38.49	397.52	9.39	-29.10
NC(=O)C1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038741	0	46	0.0	-37.61	328.48	5.95	-31.66
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012038742	0	45	0.0	-34.20	333.04	8.73	-25.47
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012038743	0	51	0.0	-44.16	386.30	8.98	-35.18
COC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1F	REAL300012038744	0	46	0.0	-42.87	326.18	8.53	-34.34
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C2CCCC2=C1	REAL300012038745	0	49	0.0	-36.41	341.35	11.15	-25.26
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC=C1Br	REAL300012038746	0	39	0.0	-35.39	302.24	8.70	-26.69
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012038747	0	48	0.0	-36.78	342.45	8.92	-27.86
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012038748	0	42	0.0	-40.06	323.55	9.92	-30.14
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012038749	0	47	0.0	-39.93	334.93	9.66	-30.27
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(F)=C1Br	REAL300012038750	0	42	0.0	-40.89	313.38	9.82	-31.07
COC1=CC(F)=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038751	0	46	0.0	-39.93	331.76	8.60	-31.33
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(Br)=C1F	REAL300012038752	0	42	0.0	-42.35	317.48	9.85	-32.50
CC(C)(C)C1=NC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=N1	REAL300012038753	0	52	0.0	-38.67	367.50	9.23	-29.44
CS(=O)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038754	0	47	0.0	-51.53	348.29	8.12	-43.41
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012038755	0	52	0.0	-34.88	361.22	11.83	-23.05
COC(=O)C1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CN1	REAL300012038756	0	46	0.0	-45.64	335.59	7.60	-38.04
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(C)=C1OC	REAL300012038757	0	53	0.0	-41.37	369.60	9.13	-32.24
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012038758	0	39	0.0	-38.09	316.81	9.26	-28.83
COC1=CC(C)=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038759	0	49	0.0	-34.95	343.48	9.20	-25.75
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012038760	0	41	0.0	-42.60	323.50	7.65	-34.95
CS(=O)(=O)C1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038761	0	48	0.0	-43.98	354.63	6.69	-37.29
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Cl)=CS1	REAL300012038762	0	39	0.0	-33.76	303.06	8.87	-24.89
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012038763	0	55	0.0	-37.13	382.58	12.45	-24.68
CC1=CC(Cl)=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038764	0	45	0.0	-39.30	333.98	10.40	-28.90
COCC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038765	0	49	0.0	-39.11	353.47	8.97	-30.14
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012038766	0	49	0.0	-43.24	345.54	11.59	-31.65
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NC=C(Cl)S1	REAL300012038767	0	38	0.0	-37.61	295.78	6.94	-30.67
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012038768	0	45	0.0	-40.54	330.60	10.11	-30.43
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012038769	0	47	0.0	-43.08	337.84	8.90	-34.18
COCCN1C=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=N1	REAL300012038770	0	49	0.0	-39.70	353.86	6.95	-32.75
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012038771	0	52	0.0	-40.47	361.28	11.94	-28.53
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC2=CC=CC=C21	REAL300012038772	0	52	0.0	-40.85	370.31	10.84	-30.01
CCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1F	REAL300012038773	0	49	0.0	-42.95	351.52	9.48	-33.47
COC1=CC=CC2=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=CC=C12	REAL300012038774	0	52	0.0	-37.93	360.46	10.71	-27.22
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1C#N	REAL300012038775	0	47	0.0	-54.91	346.15	9.22	-45.69
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012038776	0	41	0.0	-39.07	319.28	7.49	-31.58
CC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1C#N	REAL300012038777	0	46	0.0	-42.30	333.94	10.07	-32.23
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300012038778	0	46	0.0	-30.97	338.82	9.06	-21.91
CC(C)CN1C=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=N1	REAL300012038779	0	51	0.0	-41.78	361.50	9.44	-32.34
CC1=CC(Br)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1	REAL300012038780	0	42	0.0	-32.91	325.48	9.62	-23.29
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038781	0	57	0.0	-35.82	403.62	11.88	-23.94
CN1C(=O)CCC2=CC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300012038782	0	53	0.0	-42.56	369.78	10.07	-32.49
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012038783	0	48	0.0	-44.84	378.20	11.04	-33.80
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012038784	0	48	0.0	-40.97	365.50	10.49	-30.48
CC1=NN(C(C)C)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038785	0	51	0.0	-39.20	356.55	8.96	-30.24
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012038786	0	47	0.0	-41.61	352.75	10.23	-31.38
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012038787	0	51	0.0	-35.89	367.86	9.85	-26.04
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012038788	0	48	0.0	-38.69	365.42	10.68	-28.01
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C2CC2)S1	REAL300012038789	0	45	0.0	-33.97	329.69	9.03	-24.94
CC(C)C1=NC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1	REAL300012038790	0	47	0.0	-35.46	341.33	8.74	-26.72
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012038791	0	45	0.0	-45.39	344.25	8.60	-36.79
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012038792	0	42	0.0	-49.46	332.57	10.58	-38.88
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012038793	0	54	0.0	-37.29	401.82	11.95	-25.34
CN1C=C(C2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=C2)C=N1	REAL300012038794	0	52	0.0	-49.45	376.51	10.81	-38.64
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012038795	0	45	0.0	-42.06	332.03	8.23	-33.83
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012038796	0	53	0.0	-41.35	393.52	12.16	-29.19
CN(C)C(=O)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])N1	REAL300012038797	0	50	0.0	-55.61	352.68	7.70	-47.91
NC(=O)C1=CSC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038798	0	43	0.0	-44.18	320.27	5.05	-39.13
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=N1	REAL300012038799	0	56	0.0	-42.71	404.87	12.57	-30.14
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012038800	0	48	0.0	-37.55	350.40	9.36	-28.19
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012038801	0	49	0.0	-39.11	359.71	7.46	-31.65
CC1=CC=CC=C1N1C=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])N=N1	REAL300012038802	0	51	0.0	-35.88	370.03	9.94	-25.94
CN1N=C(Br)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038803	0	42	0.0	-45.01	318.16	7.30	-37.71
CN1C=C(C2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])S2)C=N1	REAL300012038804	0	49	0.0	-45.90	369.87	10.23	-35.67
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012038805	0	54	0.0	-35.89	368.77	10.21	-25.68
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012038806	0	42	0.0	-38.26	328.44	10.33	-27.93
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NN(C(F)F)C=C1	REAL300012038807	0	42	0.0	-33.03	308.01	7.30	-25.73
CC(C)C1=CN=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1	REAL300012038808	0	47	0.0	-36.15	342.07	8.48	-27.67
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012038809	0	52	0.0	-42.24	393.38	11.45	-30.79
CC1=CC(Br)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300012038810	0	45	0.0	-34.50	346.44	11.03	-23.47
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012038811	0	52	0.0	-36.20	391.23	11.28	-24.92
CC(C)(C)C1=CN=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1	REAL300012038812	0	50	0.0	-39.55	366.13	9.18	-30.37
COC(=O)C1=C(C)N(C)C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038813	0	52	0.0	-45.31	372.47	9.67	-35.64
COCCOCC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038814	0	56	0.0	-40.35	408.95	9.20	-31.15
CSCC1=CN=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1	REAL300012038815	0	45	0.0	-37.38	345.35	8.34	-29.04
CC1=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012038816	0	48	0.0	-32.88	362.70	11.99	-20.89
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012038817	0	56	0.0	-45.67	417.36	11.59	-34.08
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012038818	0	49	0.0	-42.85	345.43	11.59	-31.26
N#CC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1F	REAL300012038819	0	43	0.0	-47.61	320.69	9.61	-38.00
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012038820	0	45	0.0	-40.86	333.54	8.28	-32.58
CC(C)CN1N=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038821	0	51	0.0	-39.00	356.27	9.22	-29.78
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012038822	0	41	0.0	-33.33	313.51	8.23	-25.10
COC(=O)C1=C(C)C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CN1	REAL300012038823	0	49	0.0	-51.26	353.09	8.36	-42.90
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])S2)C=C1C	REAL300012038824	0	54	0.0	-37.31	400.04	11.47	-25.84
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038825	0	52	0.0	-48.58	378.64	11.19	-37.39
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038826	0	52	0.0	-45.79	386.37	11.73	-34.06
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038827	0	55	0.0	-41.71	394.57	11.60	-30.11
CC(C)(C#N)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038828	0	52	0.0	-45.26	375.02	11.20	-34.06
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NN2CCCCC2=C1	REAL300012038829	0	49	0.0	-33.07	338.53	8.51	-24.56
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012038830	0	44	0.0	-43.09	318.13	8.15	-34.94
COC1=CC(OC)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1F	REAL300012038831	0	50	0.0	-37.88	362.36	8.06	-29.82
COC1=CC(F)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300012038832	0	50	0.0	-39.77	358.74	8.58	-31.19
CC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(Cl)=C1	REAL300012038833	0	45	0.0	-29.65	327.18	10.32	-19.33
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038834	0	55	0.0	-41.00	392.43	11.74	-29.26
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300012038835	0	46	0.0	-32.67	327.93	8.52	-24.15
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC2=C1CCC2	REAL300012038836	0	49	0.0	-41.71	340.21	11.39	-30.32
CCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300012038837	0	55	0.0	-38.22	383.47	10.88	-27.34
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012038838	0	44	0.0	-38.11	330.77	9.07	-29.04
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012038839	0	45	0.0	-44.16	345.17	10.68	-33.48
CCC1=C2OC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CC2=CC=C1	REAL300012038840	0	51	0.0	-40.43	366.30	11.31	-29.12
C=CCCN1C=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])N=N1	REAL300012038841	0	48	0.0	-40.07	348.05	8.02	-32.05
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=NN1CC1CC1	REAL300012038842	0	49	0.0	-40.15	338.67	9.04	-31.11
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012038843	0	50	0.0	-49.88	361.45	10.35	-39.53
CCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300012038844	0	52	0.0	-38.38	361.97	10.08	-28.30
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012038845	0	55	0.0	-34.29	378.10	12.38	-21.91
COCC1=CSC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038846	0	46	0.0	-32.70	337.30	8.23	-24.47
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012038847	0	48	0.0	-35.17	336.13	7.58	-27.59
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012038848	0	48	0.0	-38.26	377.60	10.79	-27.47
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012038849	0	42	0.0	-45.87	327.05	9.65	-36.22
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012038850	0	42	0.0	-41.04	317.44	8.72	-32.32
CC(C)OC1=CC(Cl)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300012038851	0	52	0.0	-37.38	392.70	11.22	-26.16
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012038852	0	54	0.0	-40.69	383.74	8.88	-31.81
CN(C)C1=CC(F)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1F	REAL300012038853	0	50	0.0	-39.69	360.94	8.92	-30.77
COC(=O)C1=C2CCCCN2C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038854	0	56	0.0	-44.44	395.63	10.92	-33.52
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012038855	0	42	0.0	-41.48	312.67	9.51	-31.97
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012038856	0	49	0.0	-41.00	364.07	9.53	-31.47
C=CCOC1=C(Cl)C=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300012038857	0	54	0.0	-44.78	409.30	10.60	-34.18
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC1CC1	REAL300012038858	0	54	0.0	-40.48	383.72	10.04	-30.44
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038859	0	45	0.0	-45.14	337.75	7.78	-37.36
COCC(C)OC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038860	0	56	0.0	-45.94	397.67	9.74	-36.20
CCCC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1	REAL300012038861	0	48	0.0	-32.71	353.74	10.79	-21.92
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012038862	0	49	0.0	-40.77	365.77	11.87	-28.90
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012038863	0	55	0.0	-39.40	391.54	11.42	-27.98
CC(C)C1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038864	0	51	0.0	-34.20	354.16	11.10	-23.10
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300012038865	0	58	0.0	-36.18	394.60	11.16	-25.02
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012038866	0	55	0.0	-32.16	380.73	12.82	-19.34
CC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=NC=C1Br	REAL300012038867	0	44	0.0	-32.76	328.74	8.54	-24.22
CC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C(Br)C=C1F	REAL300012038868	0	45	0.0	-35.15	337.69	10.63	-24.52
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C(O)C=CC=C1Br	REAL300012038869	0	43	0.0	-31.85	323.57	6.97	-24.88
CN1C=C(C2=NC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CS2)C=N1	REAL300012038870	0	48	0.0	-33.42	361.29	7.98	-25.44
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300012038871	0	46	0.0	-48.20	341.98	9.36	-38.84
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=NN1CC1CCC1	REAL300012038872	0	52	0.0	-39.64	364.49	9.69	-29.95
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012038873	0	48	0.0	-41.94	354.84	9.26	-32.68
CN1C=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(Br)=N1	REAL300012038874	0	42	0.0	-34.95	317.39	7.46	-27.49
CC(=O)NC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038875	0	49	0.0	-44.65	350.04	8.08	-36.57
CN1N=CC2=CC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CN=C21	REAL300012038876	0	47	0.0	-45.39	340.15	8.37	-37.02
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NC=C(Br)C=C1F	REAL300012038877	0	41	0.0	-32.89	315.59	7.97	-24.92
COC1=CC(Cl)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300012038878	0	50	0.0	-37.94	366.07	9.02	-28.92
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012038879	0	48	0.0	-39.61	359.38	11.02	-28.59
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038880	0	62	0.0	-38.68	437.58	9.76	-28.92
CN1N=C2CCCCC2=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038881	0	52	0.0	-43.73	359.71	9.34	-34.39
CCOC(=O)C1=C(C)C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C(C)N1	REAL300012038882	0	55	0.0	-44.50	396.17	9.63	-34.87
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012038883	0	41	0.0	-40.05	307.53	8.02	-32.03
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012038884	0	52	0.0	-36.78	386.98	13.15	-23.63
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012038885	0	42	0.0	-40.41	326.97	10.06	-30.35
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C(Br)SC=C1	REAL300012038886	0	39	0.0	-29.99	301.94	8.83	-21.16
CCOC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C(F)C=C1OC	REAL300012038887	0	53	0.0	-39.59	380.60	9.50	-30.09
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CN=C1Br	REAL300012038888	0	41	0.0	-32.85	304.45	7.87	-24.98
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C(F)C=C1Br	REAL300012038889	0	46	0.0	-39.24	349.94	9.34	-29.90
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012038890	0	42	0.0	-40.41	323.74	10.25	-30.16
CCOC1=CC(F)=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038891	0	49	0.0	-37.68	351.70	9.47	-28.21
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012038892	0	56	0.0	-54.53	391.52	10.36	-44.17
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012038893	0	46	0.0	-34.66	337.65	8.80	-25.86
CC(C)(C)OC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038894	0	55	0.0	-33.95	374.33	10.31	-23.64
CC1=C(Cl)C=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038895	0	45	0.0	-36.97	320.13	10.28	-26.69
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C(F)C=C1C	REAL300012038896	0	49	0.0	-36.73	349.64	9.42	-27.31
CC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(C)=C1Br	REAL300012038897	0	48	0.0	-37.05	346.71	10.91	-26.14
CC1=CC=NC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1Br	REAL300012038898	0	44	0.0	-37.44	326.02	8.66	-28.78
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038899	0	59	0.0	-40.29	420.50	9.48	-30.81
CC(C)(C)C1=CSC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=N1	REAL300012038900	0	50	0.0	-36.81	359.51	8.90	-27.91
COCCC1=NC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1	REAL300012038901	0	48	0.0	-37.14	354.09	7.22	-29.92
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012038904	1	43	0.0	-37.96	315.58	6.58	-31.38
CN1N=C2CCSCC2=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038905	0	50	0.0	-38.02	352.08	8.78	-29.24
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012038906	0	50	0.0	-37.89	341.19	9.12	-28.77
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012038907	0	44	0.0	-41.31	317.41	9.86	-31.45
CC1=C(Br)C=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1	REAL300012038908	0	42	0.0	-34.90	325.48	9.63	-25.27
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012038909	0	52	0.0	-35.61	380.59	13.24	-22.37
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012038910	0	47	0.0	-40.48	330.03	9.42	-31.06
CCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1C	REAL300012038911	0	55	0.0	-36.69	386.85	10.95	-25.74
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012038912	0	46	0.0	-40.82	329.97	7.59	-33.23
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012038913	0	60	0.0	-35.63	431.88	11.90	-23.73
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1CN1C=CC=N1	REAL300012038914	0	56	0.0	-38.78	406.14	10.16	-28.62
CC1=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012038915	0	47	0.0	-45.81	330.40	10.50	-35.31
COC1=CC=C(CN2C=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])N=N2)C=C1	REAL300012038916	0	55	0.0	-43.58	403.19	9.01	-34.57
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(F)=C1OC	REAL300012038917	0	50	0.0	-44.53	366.57	8.67	-35.86
COC(=O)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300012038918	0	48	0.0	-36.70	353.19	9.89	-26.81
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012038919	0	52	0.0	-48.65	382.92	9.87	-38.78
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012038920	0	56	0.0	-35.82	400.95	12.58	-23.24
CC(C)(C)C1=COC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=N1	REAL300012038921	0	50	0.0	-40.07	356.22	6.66	-33.41
CCCC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038922	0	51	0.0	-37.11	362.79	11.46	-25.65
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012038923	0	48	0.0	-38.00	377.09	10.67	-27.33
COC1=CC=C(C2=NC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CS2)C=C1	REAL300012038924	0	52	0.0	-38.70	389.81	9.45	-29.25
CC1=C2C=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=NC2=NN1	REAL300012038926	0	47	0.0	-47.97	338.90	7.76	-40.21
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038927	0	50	0.0	-44.72	367.52	5.89	-38.83
CN1N=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C2=CC=CC=C21	REAL300012038928	0	48	0.0	-32.16	341.73	9.32	-22.84
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012038929	0	45	0.0	-43.04	325.42	7.94	-35.10
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NNC2=CC=CC=C21	REAL300012038929	1	45	0.0	-39.72	321.02	7.81	-31.91
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012038930	0	48	0.0	-40.73	350.12	7.42	-33.31
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC=C1Cl	REAL300012038931	0	39	0.0	-36.32	298.57	8.57	-27.75
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012038932	0	47	0.0	-32.29	349.60	10.17	-22.12
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012038933	0	42	0.0	-35.42	323.23	9.73	-25.69
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012038934	0	44	0.0	-39.95	348.80	9.30	-30.65
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038935	0	52	0.0	-37.28	372.78	11.88	-25.40
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012038936	0	61	0.0	-39.29	432.94	12.74	-26.55
CC(C)C1CCC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])CC1	REAL300012038937	0	57	0.0	-38.87	372.43	11.38	-27.49
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012038938	0	45	0.0	-34.73	342.22	10.30	-24.43
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038939	0	53	0.0	-38.19	377.08	10.65	-27.54
COCC1=CC=CC=C1C=C(C)C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038940	0	56	0.0	-36.34	389.41	10.88	-25.46
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012038941	0	44	0.0	-35.49	314.43	6.88	-28.61
COC1=CC=C(N2C=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=N2)C=C1	REAL300012038942	0	53	0.0	-42.18	384.16	9.75	-32.43
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038943	0	57	0.0	-43.27	418.16	12.91	-30.36
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012038944	0	44	0.0	-45.54	335.41	7.52	-38.02
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012038945	0	49	0.0	-42.45	344.70	11.46	-30.99
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=NC=C1Br	REAL300012038946	0	41	0.0	-38.65	305.62	7.94	-30.71
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1	REAL300012038947	0	45	0.0	-42.82	345.31	6.12	-36.70
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300012038948	0	47	0.0	-39.86	352.58	4.19	-35.67
CC(C)(C)N1N=NC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=N1	REAL300012038949	1	49	0.0	-38.37	347.29	6.98	-31.39
CC1=C(Br)C=NC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038950	0	44	0.0	-36.71	319.68	8.59	-28.12
CC1=C2C=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])NC2=CC=C1	REAL300012038951	0	49	0.0	-37.09	344.83	9.89	-27.20
CC1=CC=C2C=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])NC2=C1	REAL300012038952	0	49	0.0	-38.70	347.19	9.78	-28.92
CCOC1=CN=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038953	0	48	0.0	-38.97	340.21	7.58	-31.39
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012038954	0	53	0.0	-41.75	369.59	7.80	-33.95
CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038955	0	50	0.0	-37.99	337.25	9.81	-28.18
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012038956	0	46	0.0	-34.72	320.95	9.33	-25.39
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012038957	0	45	0.0	-52.22	328.13	6.84	-45.38
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012038958	0	44	0.0	-42.46	325.26	8.32	-34.14
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012038959	0	52	0.0	-42.68	369.74	6.79	-35.89
COC1=CN=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1C	REAL300012038960	0	48	0.0	-37.01	329.79	7.41	-29.60
CC1=CC(C)=C(C=CC[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300012038961	0	55	0.0	-34.34	381.81	12.52	-21.82
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012038962	0	62	0.0	-41.81	438.43	8.10	-33.71
CC(C)(C)OC(=O)NC(C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-])CC(F)F	REAL300012038963	0	58	0.0	-45.83	404.16	8.02	-37.81
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012038964	0	52	0.0	-41.01	369.78	7.01	-34.00
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012038965	0	47	0.0	-56.28	343.83	9.94	-46.34
CC1=CC(C)=C(C=CC[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1C	REAL300012038966	0	55	0.0	-36.59	382.85	12.24	-24.35
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038967	0	47	0.0	-54.40	350.26	4.49	-49.91
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012038968	0	51	0.0	-28.58	344.72	9.90	-18.68
CN1C=CC(C2=NC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CS2)=N1	REAL300012038969	0	48	0.0	-34.13	361.40	7.87	-26.26
CC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1Br	REAL300012038970	0	45	0.0	-35.78	325.78	10.35	-25.43
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012038971	0	53	0.0	-35.80	389.06	12.08	-23.72
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012038972	0	50	0.0	-45.80	350.08	10.14	-35.66
CN(C)C(=O)C1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038973	0	52	0.0	-37.38	366.10	9.02	-28.36
CCC1=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(Cl)=NN1	REAL300012038974	0	45	0.0	-39.60	327.15	7.38	-32.22
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012038975	0	46	0.0	-30.86	335.21	8.10	-22.76
CC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C2CCCCC2=N1	REAL300012038976	0	54	0.0	-37.66	366.47	10.35	-27.31
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012038977	0	41	0.0	-42.24	321.01	7.64	-34.60
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012038978	0	45	0.0	-55.22	335.87	10.48	-44.74
COC(=O)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1C	REAL300012038979	0	51	0.0	-40.40	364.78	10.37	-30.03
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300012038980	0	49	0.0	-38.56	340.11	9.16	-29.40
CC1=C(Cl)C=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1Cl	REAL300012038981	0	45	0.0	-36.51	341.36	10.71	-25.80
N#CC1=CC=C(Br)C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038982	0	43	0.0	-39.97	331.77	10.34	-29.63
CC1CC2=CC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300012038983	0	50	0.0	-39.18	352.68	9.83	-29.35
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012038984	0	45	0.0	-51.35	327.59	6.73	-44.62
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC2=C1OCC2	REAL300012038985	0	47	0.0	-35.94	331.59	9.10	-26.84
CSCC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038986	0	49	0.0	-38.80	364.53	11.13	-27.67
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012038987	0	52	0.0	-38.15	368.17	9.98	-28.17
CN1N=C2CCOCC2=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038988	0	50	0.0	-45.16	350.81	6.96	-38.20
CN1N=C2CCCC2=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012038989	0	49	0.0	-41.11	342.58	8.71	-32.40
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=NN1C1CCC1	REAL300012038990	0	49	0.0	-39.72	342.71	8.97	-30.75
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012038991	0	49	0.0	-41.47	344.01	9.02	-32.45
COC1=CC=C(C)C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012038992	0	49	0.0	-36.80	343.03	9.32	-27.48
CN1C=NC2=CC=CC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=C21	REAL300012038993	0	48	0.0	-40.01	328.17	10.14	-29.87
CN(C)C(=O)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038994	0	52	0.0	-55.69	367.49	9.38	-46.31
CC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300012038995	0	51	0.0	-33.53	346.07	10.89	-22.64
CCNC(=O)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038996	0	52	0.0	-49.22	376.37	8.36	-40.86
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C2CCCCCN12	REAL300012038997	0	52	0.0	-41.01	350.01	9.57	-31.44
COC1=CC=C2SC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CC2=C1	REAL300012038998	0	49	0.0	-36.44	360.87	10.01	-26.43
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012038999	0	58	0.0	-50.53	408.38	11.27	-39.26
CCN1CCC2=CC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300012039000	0	54	0.0	-38.11	375.14	9.86	-28.25
CCN(C)C(=O)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012039001	0	55	0.0	-50.83	393.22	10.17	-40.66
CC1=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=NN1C(C)C	REAL300012039002	0	51	0.0	-34.30	354.57	9.10	-25.20
CSC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300012039003	0	46	0.0	-41.00	349.16	10.64	-30.36
CC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1C1CC1	REAL300012039004	0	52	0.0	-34.71	360.96	11.80	-22.91
CCOC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=N1	REAL300012039005	0	48	0.0	-37.72	342.87	6.82	-30.90
CC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1C1CC1	REAL300012039006	0	52	0.0	-34.77	360.96	11.79	-22.98
CC1=NN(C2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C(C)=C2)C=C1	REAL300012039007	0	55	0.0	-45.79	390.94	11.63	-34.16
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012039008	0	48	0.0	-47.87	367.28	11.41	-36.46
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039009	0	52	0.0	-44.08	386.13	11.54	-32.54
CCC1=CC(Br)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1	REAL300012039010	0	45	0.0	-33.20	351.69	10.54	-22.66
CC1=NN(C2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=C2)C=C1Cl	REAL300012039011	0	52	0.0	-44.86	392.76	11.52	-33.34
COC(=O)C1=CC2=C(C=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])O2)N1	REAL300012039012	0	49	0.0	-39.70	362.52	7.97	-31.73
COCCOC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])O1	REAL300012039013	0	50	0.0	-37.12	363.17	7.93	-29.19
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012039014	0	42	0.0	-39.19	333.87	10.35	-28.84
COC1=CC=CC(C2=CSC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=N2)=C1	REAL300012039015	0	52	0.0	-40.56	386.56	9.25	-31.31
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012039016	0	62	0.0	-43.40	447.12	9.75	-33.65
COC(=O)C1=C2COCCN2C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039017	0	54	0.0	-46.65	389.25	8.59	-38.06
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012039018	0	59	0.0	-52.35	411.07	11.30	-41.05
CN1N=C(C2CC2)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039019	0	49	0.0	-45.96	347.85	9.01	-36.95
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039020	0	52	0.0	-43.17	366.56	12.23	-30.94
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012039021	0	45	0.0	-39.52	357.75	11.18	-28.34
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012039022	0	52	0.0	-39.44	370.93	5.77	-33.67
COC1=NC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1F	REAL300012039023	0	45	0.0	-44.33	328.52	6.00	-38.33
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012039024	0	42	0.0	-40.35	326.38	10.03	-30.32
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN2C=CN=C2S1	REAL300012039025	0	42	0.0	-45.39	313.22	9.20	-36.19
CC1=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012039026	0	54	0.0	-35.33	378.58	10.78	-24.55
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012039027	0	51	0.0	-37.24	374.12	9.56	-27.68
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])CC1	REAL300012039028	0	62	0.0	-36.58	419.55	10.28	-26.30
CC1=CC(Br)=CN=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039029	0	44	0.0	-39.05	328.02	8.86	-30.19
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012039030	0	48	0.0	-40.80	367.81	7.09	-33.71
CC1OC2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=C2C1C	REAL300012039031	0	53	0.0	-39.10	369.18	10.34	-28.76
CC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OC(F)F	REAL300012039032	0	49	0.0	-34.28	353.26	9.50	-24.78
CC1=NC(Cl)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1Br	REAL300012039033	0	44	0.0	-33.00	340.59	8.94	-24.06
CC1=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])NN=C1C(F)(F)F	REAL300012039034	0	45	0.0	-40.58	328.11	7.14	-33.44
CC(C)CN1C=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])N=N1	REAL300012039035	0	50	0.0	-39.97	355.03	8.22	-31.75
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NC(C2CC2)=CS1	REAL300012039036	0	45	0.0	-39.17	331.67	8.47	-30.70
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012039037	0	42	0.0	-41.91	316.71	6.61	-35.30
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C2CCOC2=C1	REAL300012039038	0	47	0.0	-37.25	325.50	9.14	-28.11
CSC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039039	0	46	0.0	-34.28	334.15	10.19	-24.09
CC1=C(Br)C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C(C)S1	REAL300012039040	0	45	0.0	-40.83	343.15	10.25	-30.58
CCCN1C=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(C)=N1	REAL300012039041	0	51	0.0	-38.43	361.39	9.26	-29.17
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012039042	0	44	0.0	-40.52	316.56	7.90	-32.62
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012039043	0	49	0.0	-32.02	359.13	11.43	-20.59
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012039044	0	50	0.0	-41.83	359.76	10.26	-31.57
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012039045	0	46	0.0	-33.81	344.42	9.02	-24.79
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012039046	0	48	0.0	-35.92	365.13	11.05	-24.87
CC1=NC=CN1C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300012039047	0	55	0.0	-43.72	390.43	12.33	-31.39
CC1=C(C)N(C2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=C2)C=N1	REAL300012039048	0	55	0.0	-49.48	395.35	13.04	-36.44
CNC(=O)C1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039049	0	49	0.0	-37.61	350.41	7.45	-30.16
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012039050	0	56	0.0	-32.97	384.63	13.34	-19.63
CCNC(=O)C1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039052	0	52	0.0	-37.16	371.90	8.29	-28.87
CC1=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012039053	0	48	0.0	-43.66	350.18	10.74	-32.92
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012039054	0	49	0.0	-39.98	341.01	8.09	-31.89
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039055	0	52	0.0	-43.14	376.36	10.38	-32.76
CC(C)(C)C1=CN=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039056	0	53	0.0	-38.66	365.33	9.67	-28.99
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012039057	0	45	0.0	-36.31	356.48	11.43	-24.88
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012039058	0	45	0.0	-33.67	334.05	8.48	-25.19
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012039059	0	52	0.0	-44.63	368.31	11.54	-33.09
CN1C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=NC2=C1CCCC2	REAL300012039060	0	52	0.0	-39.84	359.06	10.20	-29.64
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012039061	0	45	0.0	-45.87	329.74	10.17	-35.70
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC2=C1COCC2	REAL300012039062	0	50	0.0	-37.43	341.16	9.15	-28.28
CCOC1=CC=C(Cl)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039063	0	49	0.0	-33.15	362.69	10.06	-23.09
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NC2=C(COCC2)S1	REAL300012039064	0	46	0.0	-40.65	335.26	6.57	-34.08
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012039065	0	49	0.0	-33.73	340.24	10.05	-23.68
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012039066	0	44	0.0	-45.52	330.46	9.98	-35.54
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012039067	0	55	0.0	-36.00	378.58	10.22	-25.78
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012039068	0	49	0.0	-39.33	367.76	10.65	-28.68
CN(CCO)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=N1	REAL300012039069	0	53	0.0	-43.17	375.42	6.80	-36.37
COC1=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012039070	0	58	0.0	-35.86	387.74	11.06	-24.80
CN1C=C(Br)N=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039071	0	42	0.0	-36.16	321.82	8.18	-27.98
COC1=CC(C)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=N1	REAL300012039072	0	48	0.0	-45.43	338.60	6.81	-38.62
COC1=CC(C)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1O	REAL300012039073	0	50	0.0	-39.34	350.88	6.98	-32.36
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012039074	0	48	0.0	-32.77	345.72	8.36	-24.41
CN1C(=O)C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC2=CC=CC=C21	REAL300012039075	0	51	0.0	-36.06	362.87	10.14	-25.92
COC1=NC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1C	REAL300012039076	0	48	0.0	-33.25	341.24	6.57	-26.68
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012039077	0	49	0.0	-39.10	348.88	9.35	-29.75
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012039078	0	55	0.0	-37.85	390.27	12.82	-25.03
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012039079	0	52	0.0	-44.11	395.41	10.06	-34.05
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039080	0	59	0.0	-32.98	416.03	9.42	-23.56
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012039081	0	46	0.0	-41.01	331.60	8.54	-32.47
CC(F)(F)C1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039082	0	48	0.0	-36.33	347.14	10.70	-25.63
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012039083	0	48	0.0	-40.39	358.83	10.02	-30.37
CC(C)(C#N)C1=NC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1	REAL300012039084	0	48	0.0	-43.95	363.12	8.82	-35.13
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012039085	0	42	0.0	-36.49	313.09	9.41	-27.08
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012039086	0	49	0.0	-40.62	364.78	11.72	-28.90
CC(C)(C)C1=NNC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039087	0	51	0.0	-37.18	357.63	8.10	-29.08
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012039088	0	42	0.0	-39.52	335.51	10.45	-29.07
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012039089	0	53	0.0	-41.79	404.64	12.67	-29.12
COC1=CC=CC(OC2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=C2)=C1	REAL300012039090	0	57	0.0	-45.50	419.12	11.52	-33.98
CCN1CCCC2=CC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300012039091	0	57	0.0	-35.11	383.20	10.32	-24.79
CN1N=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1Br	REAL300012039092	0	42	0.0	-36.08	316.66	7.39	-28.69
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012039093	0	57	0.0	-46.22	418.87	12.11	-34.11
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012039094	0	46	0.0	-37.00	350.33	10.63	-26.37
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012039095	0	55	0.0	-40.74	389.04	9.91	-30.83
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012039096	0	50	0.0	-34.61	343.38	9.40	-25.21
CC1=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012039097	0	48	0.0	-33.53	352.73	11.56	-21.97
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012039098	0	48	0.0	-52.98	350.01	7.69	-45.29
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012039099	0	56	0.0	-34.20	393.47	11.53	-22.67
CC(F)(F)C1=CC=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039100	0	48	0.0	-30.92	336.21	10.80	-20.12
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OCCO	REAL300012039101	0	54	0.0	-50.60	388.01	6.54	-44.06
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1OCCO	REAL300012039102	0	54	0.0	-42.33	385.90	6.21	-36.12
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012039103	0	47	0.0	-40.68	334.93	9.66	-31.02
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012039104	0	61	0.0	-42.20	431.61	9.80	-32.40
CC1=CC2=CC=CC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=C2O1	REAL300012039105	0	48	0.0	-40.91	345.07	10.38	-30.53
COC1=CSC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1OC	REAL300012039106	0	47	0.0	-34.02	340.56	7.23	-26.79
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012039107	0	51	0.0	-44.71	396.54	11.03	-33.68
CS(=O)(=O)C1=COC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039108	0	45	0.0	-42.91	337.75	4.76	-38.15
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012039109	0	45	0.0	-34.51	337.14	10.23	-24.28
CC(C)OC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1F	REAL300012039110	0	52	0.0	-42.93	369.44	10.10	-32.83
CCN1C=C(Cl)C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=N1	REAL300012039111	0	45	0.0	-32.97	336.86	8.33	-24.64
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012039112	0	42	0.0	-40.35	322.12	9.93	-30.42
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012039113	0	45	0.0	-34.67	328.09	10.11	-24.56
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012039114	0	48	0.0	-40.54	344.45	11.43	-29.11
CS(=O)(=O)C1=CSC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039115	0	45	0.0	-39.93	344.02	6.00	-33.93
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CSC(Cl)=C1	REAL300012039116	0	39	0.0	-35.30	300.96	8.74	-26.56
CC1=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=NN1C1CCC1	REAL300012039117	0	52	0.0	-42.89	363.92	9.98	-32.91
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012039118	0	49	0.0	-41.17	371.40	10.97	-30.20
CC1=NN(C2CCCC2)C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039119	0	55	0.0	-39.81	384.07	10.30	-29.51
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=NN1CC(F)F	REAL300012039120	0	45	0.0	-35.33	326.53	7.84	-27.49
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012039121	0	49	0.0	-41.72	361.08	10.52	-31.20
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039122	0	51	0.0	-43.20	368.84	9.50	-33.70
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012039123	0	49	0.0	-32.96	340.15	8.76	-24.20
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012039124	0	45	0.0	-33.06	329.16	8.25	-24.81
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012039125	0	46	0.0	-34.67	338.85	8.53	-26.14
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039126	0	58	0.0	-38.38	396.87	10.91	-27.47
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012039127	0	53	0.0	-39.32	371.26	7.88	-31.44
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039128	0	56	0.0	-38.53	387.64	8.51	-30.02
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012039129	0	47	0.0	-37.52	356.91	10.38	-27.14
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012039130	0	52	0.0	-30.14	357.51	9.75	-20.39
NS(=O)(=O)C1=CSC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039131	0	44	0.0	-40.37	337.60	3.40	-36.97
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012039132	0	41	0.0	-31.39	319.78	8.26	-23.13
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012039133	0	57	0.0	-51.27	405.22	8.77	-42.50
CC1=NN(C2CCCC2)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039134	0	55	0.0	-38.20	377.90	10.30	-27.90
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC=C1C(F)F	REAL300012039135	0	45	0.0	-34.39	317.03	10.11	-24.28
CC1=CC(Br)=C(F)C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039136	0	45	0.0	-34.46	342.37	10.55	-23.91
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012039137	0	42	0.0	-39.58	335.66	10.46	-29.12
COC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1Br	REAL300012039138	0	46	0.0	-39.45	336.26	9.13	-30.32
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012039139	0	45	0.0	-42.53	315.68	8.01	-34.52
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012039140	0	42	0.0	-40.38	322.56	9.95	-30.43
CN1C=C(C2=CC=CC(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])=C2)C=N1	REAL300012039141	0	52	0.0	-40.79	374.05	10.46	-30.33
COC1=CC(F)=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1Br	REAL300012039142	0	46	0.0	-39.59	349.97	9.35	-30.24
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012039143	0	52	0.0	-50.65	380.50	11.58	-39.07
CC1=CC=C(Br)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039144	0	45	0.0	-41.51	331.57	10.74	-30.77
COC1=C(C#N)C=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039145	0	47	0.0	-47.41	341.00	9.03	-38.38
COC1=NC2=CC=C(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])C=C2S1	REAL300012039146	0	48	0.0	-39.01	354.07	7.13	-31.88
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=NC(Br)=C1	REAL300012039147	0	41	0.0	-39.35	310.28	7.91	-31.44
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012039148	0	42	0.0	-34.37	329.30	10.23	-24.14
CC1=NC(Cl)=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039149	0	44	0.0	-43.86	322.61	8.46	-35.40
CC(C)(C)COC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039150	0	58	0.0	-33.92	405.72	11.51	-22.41
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012039151	0	42	0.0	-35.23	337.87	10.39	-24.84
COC1=CC(Cl)=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039152	0	46	0.0	-38.96	342.08	9.05	-29.91
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012039153	0	45	0.0	-45.08	347.50	10.60	-34.48
COC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CC(F)=C1F	REAL300012039154	0	46	0.0	-47.88	337.86	8.66	-39.22
COC1=CC(C)=NC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039155	0	48	0.0	-37.74	341.04	7.44	-30.30
COC(=O)C1=C(C)NC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1C	REAL300012039156	0	52	0.0	-45.91	377.09	8.90	-37.01
CC(C)OC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])O1	REAL300012039157	0	49	0.0	-42.54	351.91	9.77	-32.77
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012039158	0	43	0.0	-38.13	332.02	7.06	-31.07
N#CC1=CC(F)=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039159	0	43	0.0	-44.48	323.11	9.69	-34.79
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012039160	0	58	0.0	-40.13	397.37	13.16	-26.97
COC1=CC=CC=C1C=CC[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039161	0	50	0.0	-35.24	351.19	10.05	-25.19
CC1=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])SC(Br)=C1	REAL300012039162	0	42	0.0	-33.10	324.22	9.56	-23.54
CC1=NN(C2CCC2)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039163	0	52	0.0	-37.52	363.63	9.63	-27.89
CC1=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=NN1CC(F)F	REAL300012039164	0	48	0.0	-38.36	350.92	8.66	-29.70
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012039165	0	50	0.0	-43.57	365.03	9.58	-33.99
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039166	0	54	0.0	-34.81	394.10	11.30	-23.51
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039167	0	49	0.0	-44.73	359.29	8.52	-36.21
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012039168	0	55	0.0	-37.31	398.64	13.70	-23.61
CCCCC(=O)NC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012039169	0	58	0.0	-51.16	415.88	10.78	-40.38
COC1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(C)=N1	REAL300012039170	0	48	0.0	-40.04	336.60	6.40	-33.64
CCN(C)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300012039171	0	56	0.0	-35.73	383.93	11.22	-24.51
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012039172	0	41	0.0	-32.93	311.77	8.14	-24.79
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012039173	0	39	0.0	-41.72	319.90	9.46	-32.26
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012039174	0	46	0.0	-40.88	355.96	9.52	-31.36
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012039175	0	52	0.0	-36.45	378.25	12.14	-24.31
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012039176	0	45	0.0	-35.48	326.53	10.67	-24.81
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012039177	0	51	0.0	-43.48	368.63	10.95	-32.53
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039178	0	64	0.0	-35.58	452.82	14.08	-21.50
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012039179	0	45	0.0	-35.91	315.66	8.01	-27.90
CCC(C)C1=CC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=C1	REAL300012039180	0	54	0.0	-42.47	374.75	12.12	-30.35
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012039181	0	44	0.0	-36.23	335.73	8.71	-27.52
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012039182	0	47	0.0	-45.23	358.98	9.55	-35.68
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012039183	0	49	0.0	-34.25	354.85	7.83	-26.42
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012039184	0	45	0.0	-35.16	352.59	11.33	-23.83
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039185	0	55	0.0	-35.13	394.62	11.76	-23.37
CC(F)(F)C1=CC=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=N1	REAL300012039186	0	47	0.0	-32.69	340.90	9.34	-23.35
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012039187	0	42	0.0	-35.88	327.98	9.96	-25.92
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012039188	0	42	0.0	-39.46	336.20	10.45	-29.01
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012039189	0	52	0.0	-33.95	348.91	11.53	-22.42
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012039190	0	44	0.0	-44.58	345.35	10.52	-34.06
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039191	0	49	0.0	-37.75	353.09	11.36	-26.39
COC1=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=CC(Br)=C1F	REAL300012039192	0	46	0.0	-46.85	352.20	9.30	-37.55
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012039193	0	45	0.0	-44.77	334.26	10.28	-34.49
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012039194	0	48	0.0	-52.89	351.59	9.20	-43.69
CC1=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])C=CC2=CC=CC=C21	REAL300012039195	0	51	0.0	-41.10	352.49	12.09	-29.01
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039196	0	60	0.0	-37.96	417.76	10.91	-27.05
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012039197	0	48	0.0	-37.67	363.09	12.10	-25.57
COC1=C2C=CNC2=CC=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039198	0	50	0.0	-40.78	354.82	8.59	-32.19
O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012039199	0	55	0.0	-46.20	385.35	6.63	-39.57
CCCN1N=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1C	REAL300012039200	0	51	0.0	-35.30	357.74	9.01	-26.29
CC1=CC(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012039201	0	51	0.0	-43.56	366.08	10.51	-33.05
COC(=O)C1=CN(C)C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1	REAL300012039202	0	49	0.0	-46.79	350.45	9.27	-37.52
COC1=CC=C(Br)C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])=C1O	REAL300012039203	0	47	0.0	-39.64	352.51	7.01	-32.63
CCCN1N=C(C)C=C1C[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)[O-]	REAL300012039204	0	51	0.0	-39.23	361.92	9.05	-30.18
CC(C)(C)C1=NC=C(C[NH2+][C@@H]2CCCCCC[C@@H]2C(=O)[O-])O1	REAL300012039205	0	50	0.0	-41.49	354.72	6.83	-34.66
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OCC1=CC=CC=C1	REAL300012039206	0	55	0.0	-36.50	420.25	11.74	-24.76
CC(C)(C)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039207	0	49	0.0	-30.99	351.32	11.06	-19.93
O=C([O-])C1([NH2+]CC2=CC=C(Br)O2)CCCC2CC21	REAL300012039208	0	34	0.0	-28.73	281.20	7.45	-21.28
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OCC1=CC=C(F)C=C1	REAL300012039209	0	55	0.0	-38.18	422.05	11.97	-26.21
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=C2)C=C1	REAL300012039210	0	55	0.0	-40.40	421.05	9.88	-30.52
O=C([O-])C1([NH2+]CC2=CC(NC(=O)C3=CC=CC=C3Cl)=CC=C2)CCCC2CC21	REAL300012039211	0	51	0.0	-40.84	404.17	11.08	-29.76
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039212	0	47	0.0	-34.89	353.57	10.54	-24.35
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OC(F)F	REAL300012039213	0	45	0.0	-37.78	348.24	8.04	-29.74
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=C(Br)C=C3)O2)CCCC2CC21	REAL300012039214	0	44	0.0	-29.27	356.65	11.25	-18.02
CCOC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC(Br)=C1OC	REAL300012039215	0	48	0.0	-32.69	380.02	9.62	-23.07
CCOC1=C(Br)C=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039216	0	48	0.0	-32.10	382.95	9.54	-22.56
CCOC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OC	REAL300012039217	0	48	0.0	-35.26	360.34	8.68	-26.58
CCCCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039218	0	53	0.0	-32.88	390.97	11.32	-21.56
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)CCCC2CC21	REAL300012039219	0	46	0.0	-46.12	366.97	11.21	-34.91
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)CCCC2CC21	REAL300012039220	0	46	0.0	-34.45	363.54	11.31	-23.14
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1Br	REAL300012039221	0	41	0.0	-32.64	329.60	8.53	-24.11
CCCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039222	0	54	0.0	-35.27	398.72	10.43	-24.84
CCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039223	0	51	0.0	-34.94	381.84	9.48	-25.46
C=CCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039224	0	49	0.0	-35.22	373.24	9.27	-25.95
CCCCCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039225	0	60	0.0	-35.24	441.72	11.99	-23.25
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)CCCC2CC21	REAL300012039226	0	44	0.0	-29.25	352.09	11.15	-18.10
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)CCCC2CC21	REAL300012039227	0	44	0.0	-29.32	352.25	11.19	-18.13
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC(Br)=C3)O2)CCCC2CC21	REAL300012039228	0	44	0.0	-34.77	360.08	11.15	-23.62
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)CCCC2CC21	REAL300012039229	0	44	0.0	-30.04	359.69	12.04	-18.00
O=C([O-])C1([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)CCCC2CC21	REAL300012039230	0	47	0.0	-39.64	359.15	10.40	-29.24
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)CCCC2CC21	REAL300012039231	0	46	0.0	-46.24	362.87	11.82	-34.42
O=C([O-])C1([NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)CCCC2CC21	REAL300012039232	0	43	0.0	-28.14	346.37	9.60	-18.54
O=C([O-])C1([NH2+]CC2=CC=C(SC(F)(F)F)C=C2)CCCC2CC21	REAL300012039233	0	41	0.0	-31.70	331.52	10.20	-21.50
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(Cl)=C1	REAL300012039234	0	41	0.0	-33.36	316.87	8.46	-24.90
O=C([O-])C1([NH2+]CC2=CC=C(OC(F)(F)F)C=C2)CCCC2CC21	REAL300012039235	0	41	0.0	-32.27	321.12	8.53	-23.74
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S2)CCCC2CC21	REAL300012039236	0	46	0.0	-35.31	371.14	12.19	-23.12
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)CCCC2CC21	REAL300012039237	0	46	0.0	-34.61	371.55	12.26	-22.35
O=C([O-])C1([NH2+]CC2=CSC3=CC=CC=C23)CCCC2CC21	REAL300012039238	0	40	0.0	-31.20	312.02	10.12	-21.08
CC1=CC=C(C2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)O2)C=C1	REAL300012039239	0	47	0.0	-28.63	356.77	11.32	-17.31
O=C([O-])C1([NH2+]CC2=CC=C(OCC3CCCO3)C=C2)CCCC2CC21	REAL300012039240	0	52	0.0	-34.35	383.45	9.34	-25.01
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)CCCC2CC21	REAL300012039241	0	44	0.0	-30.58	349.37	11.59	-18.99
O=C([O-])C1([NH2+]CC2=CC=C(N3C=CC=N3)C=C2)CCCC2CC21	REAL300012039242	0	44	0.0	-38.88	333.48	9.94	-28.94
O=C([O-])C1([NH2+]CC2=CC=C(N3C=NC=N3)C=C2)CCCC2CC21	REAL300012039243	0	43	0.0	-41.24	328.41	11.26	-29.98
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)CCCC2CC21	REAL300012039244	0	44	0.0	-29.61	359.74	12.05	-17.56
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OCC1=CC=NC=C1	REAL300012039245	0	54	0.0	-38.14	415.13	9.97	-28.17
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)CCCC2CC21	REAL300012039246	0	44	0.0	-30.19	352.15	11.70	-18.49
O=C([O-])C1([NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)CCCC2CC21	REAL300012039247	0	40	0.0	-30.64	321.55	10.22	-20.42
O=C([O-])C1([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)CCCC2CC21	REAL300012039248	0	40	0.0	-38.56	319.44	9.78	-28.78
O=C([O-])C1([NH2+]CC2=CC(Cl)=CC=C2Cl)CCCC2CC21	REAL300012039249	0	37	0.0	-29.67	304.14	9.69	-19.98
O=C([O-])C1([NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)CCCC2CC21	REAL300012039250	0	40	0.0	-32.83	323.14	9.70	-23.13
O=C([O-])C1([NH2+]CC2=CC(C(F)(F)F)=CC=C2F)CCCC2CC21	REAL300012039251	0	40	0.0	-29.59	315.28	9.68	-19.91
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(Cl)=C1OC	REAL300012039252	0	45	0.0	-36.70	349.32	8.52	-28.18
O=C([O-])C1([NH2+]CC2=CC3=CC=CC=C3S2)CCCC2CC21	REAL300012039253	0	40	0.0	-34.06	315.52	10.13	-23.93
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)CCCC2CC21	REAL300012039254	0	44	0.0	-29.66	359.70	12.03	-17.63
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=C2)=C1	REAL300012039255	0	52	0.0	-36.89	411.87	12.23	-24.66
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OCC(F)(F)F	REAL300012039256	0	48	0.0	-37.30	379.91	9.15	-28.15
O=C([O-])C1([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)CCCC2CC21	REAL300012039257	0	50	0.0	-37.07	381.27	10.24	-26.83
O=C([O-])C1([NH2+]CC2=CC(Br)=C3OCCOC3=C2)CCCC2CC21	REAL300012039258	0	43	0.0	-34.93	343.49	8.45	-26.48
O=C([O-])C1([NH2+]CC2=CC(Br)=C3OCCCOC3=C2)CCCC2CC21	REAL300012039259	0	46	0.0	-34.84	358.39	9.33	-25.51
O=C([O-])C1([NH2+]CC2=CC=C(N3C=CC(C(F)(F)F)=N3)C=C2)CCCC2CC21	REAL300012039260	0	47	0.0	-41.59	374.65	10.89	-30.70
COCCOC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039261	0	48	0.0	-36.69	360.11	8.23	-28.46
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1Cl	REAL300012039262	0	41	0.0	-32.82	325.21	8.41	-24.41
O=C([O-])C1([NH2+]CC2=CSC(C3=CC=CC=N3)=N2)CCCC2CC21	REAL300012039263	0	42	0.0	-28.98	335.38	7.66	-21.32
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=N1	REAL300012039264	0	53	0.0	-35.22	396.83	8.56	-26.66
O=C([O-])C1([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)CCCC2CC21	REAL300012039265	0	44	0.0	-33.14	350.67	9.26	-23.88
O=C([O-])C1([NH2+]CC2=CC=CC3=C2OCCO3)CCCC2CC21	REAL300012039266	0	43	0.0	-34.18	318.11	7.94	-26.24
O=C([O-])C1([NH2+]CC2=CC=CC3=C2OCCCO3)CCCC2CC21	REAL300012039267	0	46	0.0	-37.27	335.34	8.75	-28.52
CCCOC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039268	0	47	0.0	-33.94	347.98	9.76	-24.18
O=C([O-])C1([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)CCCC2CC21	REAL300012039269	0	44	0.0	-30.41	341.17	11.31	-19.10
O=C([O-])C1([NH2+]CC2=CC=CC(OC3CCCC3)=C2)CCCC2CC21	REAL300012039270	0	51	0.0	-30.64	374.70	10.80	-19.84
CC(C)OC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039271	0	47	0.0	-30.79	349.63	9.47	-21.32
CC1=CC=C(C2=NC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CS2)C=C1	REAL300012039272	0	46	0.0	-36.51	364.78	10.11	-26.40
O=C([O-])C1([NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)CCCC2CC21	REAL300012039273	0	51	0.0	-33.09	394.72	12.01	-21.08
O=C([O-])C1([NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)CCCC2CC21	REAL300012039274	0	47	0.0	-27.85	371.55	9.04	-18.81
O=C([O-])C1([NH2+]CC2=CSC(C3=CC=C(C(F)(F)F)C=C3)=N2)CCCC2CC21	REAL300012039275	0	46	0.0	-37.20	382.07	10.44	-26.76
O=C([O-])C1([NH2+]CC2=CSC(COC3=CC=C(Cl)C=C3)=N2)CCCC2CC21	REAL300012039276	0	47	0.0	-28.44	388.28	9.56	-18.88
CC1=CC=C(OCC2=NC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CS2)C=C1	REAL300012039277	0	50	0.0	-27.75	392.96	9.72	-18.03
COC1=CC=C(OCC2=NC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CS2)C=C1	REAL300012039278	0	51	0.0	-29.22	401.05	8.34	-20.88
CC(C)(C)C1=NC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CS1	REAL300012039279	0	45	0.0	-26.43	341.82	8.28	-18.15
O=C([O-])C1([NH2+]CC2=CSC(C3=CSC=C3)=N2)CCCC2CC21	REAL300012039280	0	40	0.0	-26.95	331.00	8.47	-18.48
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)CCCC2CC21	REAL300012039281	0	44	0.0	-30.30	349.38	11.59	-18.71
CC1=CC=C(C2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)S2)C=C1	REAL300012039282	0	47	0.0	-29.41	364.37	12.20	-17.21
COC1=CC(OC2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2)=CC(OC)=C1	REAL300012039283	0	56	0.0	-35.85	422.97	10.21	-25.64
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039284	0	41	0.0	-29.75	337.55	9.16	-20.59
O=C([O-])C1([NH2+]CC2=CC(Br)=CC=C2Cl)CCCC2CC21	REAL300012039285	0	37	0.0	-29.51	308.71	9.79	-19.72
O=C([O-])C1([NH2+]CC2=CC(Cl)=CC=C2Br)CCCC2CC21	REAL300012039286	0	37	0.0	-28.75	306.14	9.74	-19.01
O=C([O-])C1([NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)CCCC2CC21	REAL300012039287	0	48	0.0	-33.46	376.67	11.73	-21.73
CCOC1=C(OC)C=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039288	0	52	0.0	-36.27	388.88	8.79	-27.48
O=C([O-])C1([NH2+]CC2=CC=CC(OCCCC3=CC=CC=C3)=C2)CCCC2CC21	REAL300012039289	0	57	0.0	-32.48	434.00	13.40	-19.08
CC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OC1=CC=CN=C1	REAL300012039290	0	50	0.0	-33.31	378.92	10.48	-22.83
CC1=CC=C(C2=NC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)S2)C=C1	REAL300012039291	0	46	0.0	-30.93	361.55	10.44	-20.49
O=C([O-])C1([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)CCCC2CC21	REAL300012039292	0	42	0.0	-32.51	331.74	9.77	-22.74
O=C([O-])C1([NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)CCCC2CC21	REAL300012039293	0	44	0.0	-30.21	349.85	10.80	-19.41
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)O1	REAL300012039294	0	47	0.0	-29.25	362.31	11.38	-17.87
CCC1=CC=C(C2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)O2)C=C1	REAL300012039295	0	50	0.0	-28.39	378.25	12.07	-16.32
COC1=CC=C2OC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CC2=C1	REAL300012039296	0	44	0.0	-30.51	332.48	8.55	-21.96
O=C([O-])C1([NH2+]CC=CC2=CC=C(Cl)C=C2)CCCC2CC21	REAL300012039297	0	41	0.0	-33.81	326.25	10.44	-23.37
O=C([O-])C1([NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)CCCC2CC21	REAL300012039298	0	45	0.0	-30.29	341.72	10.47	-19.82
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1Br	REAL300012039299	0	40	0.0	-34.89	319.18	9.75	-25.14
O=C([O-])C1([NH2+]CC=CC2=CC=C(F)C=C2F)CCCC2CC21	REAL300012039300	0	41	0.0	-39.73	321.61	10.02	-29.71
CC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1Br	REAL300012039301	0	40	0.0	-32.14	314.61	9.92	-22.22
O=C([O-])C1([NH2+]CC2=NN(C3=CC=CC=C3)C=C2)CCCC2CC21	REAL300012039302	0	44	0.0	-28.65	334.01	9.86	-18.79
O=C([O-])C1([NH2+]CC2=CC(Cl)=CC3=C2OCC3)CCCC2CC21	REAL300012039303	0	42	0.0	-32.64	327.63	9.06	-23.58
O=C([O-])C1([NH2+]CC2=CC3=C(F)C=CC=C3N2)CCCC2CC21	REAL300012039304	0	41	0.0	-31.54	313.51	8.76	-22.78
O=C([O-])C1([NH2+]CC2=CC3=CC=C(F)C=C3N2)CCCC2CC21	REAL300012039305	0	41	0.0	-32.74	313.42	8.75	-23.99
CC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC2=CC=CN=C12	REAL300012039306	0	45	0.0	-36.33	336.36	9.93	-26.40
O=C([O-])C1([NH2+]CC2=CN=C3C=CSC3=C2)CCCC2CC21	REAL300012039307	0	39	0.0	-34.09	306.99	8.22	-25.87
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)O2)C=C1	REAL300012039308	0	56	0.0	-28.25	411.47	12.96	-15.29
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2C)=C1	REAL300012039309	0	60	0.0	-33.08	449.60	14.19	-18.89
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1C	REAL300012039310	0	60	0.0	-32.88	444.37	14.22	-18.66
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039311	0	55	0.0	-34.75	408.39	13.45	-21.30
CCN(CC)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1F	REAL300012039312	0	51	0.0	-35.82	375.86	9.92	-25.90
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C(SC)C=C1OC	REAL300012039313	0	49	0.0	-32.91	368.51	8.85	-24.06
COC1=CC=C2N=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)SC2=C1	REAL300012039314	0	43	0.0	-32.30	336.77	7.55	-24.75
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039315	0	43	0.0	-26.55	338.27	9.59	-16.96
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1C#N	REAL300012039316	0	42	0.0	-37.30	329.45	8.28	-29.02
O=C([O-])C1([NH2+]CC2=CC=C(SC(F)F)C=C2)CCCC2CC21	REAL300012039317	0	41	0.0	-32.32	324.94	10.00	-22.32
O=C([O-])C1([NH2+]CC2=CC=C(OC(F)F)C(F)=C2)CCCC2CC21	REAL300012039318	0	41	0.0	-35.76	325.17	8.21	-27.55
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039319	0	43	0.0	-31.54	326.35	10.30	-21.24
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC(Cl)=C1OC	REAL300012039320	0	45	0.0	-32.54	356.71	8.47	-24.07
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OCC(C)C	REAL300012039321	0	54	0.0	-33.69	397.33	10.33	-23.36
CCCOC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OC	REAL300012039322	0	51	0.0	-34.91	381.84	9.48	-25.43
O=C([O-])C1([NH2+]CC2=CC=C(Br)S2)CCCC2CC21	REAL300012039323	0	34	0.0	-28.62	287.02	8.58	-20.04
CCOC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC(Cl)=C1OC	REAL300012039324	0	48	0.0	-32.99	375.63	9.50	-23.49
C=CCOC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039325	0	45	0.0	-31.01	344.00	9.37	-21.64
CCOC1=C(Cl)C=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039326	0	48	0.0	-32.37	378.56	9.43	-22.94
CCCCOC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OC	REAL300012039327	0	54	0.0	-33.92	398.73	10.43	-23.49
CCCOC1=C(Cl)C=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OCC	REAL300012039328	0	54	0.0	-32.75	418.99	11.26	-21.49
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC(F)F	REAL300012039329	0	45	0.0	-31.62	343.63	8.22	-23.40
CCOC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OC(F)F	REAL300012039330	0	48	0.0	-36.16	365.48	9.13	-27.03
CC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC(C)=C1OC(F)F	REAL300012039331	0	47	0.0	-34.11	352.45	9.72	-24.39
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC2=C1OCCO2	REAL300012039332	0	47	0.0	-37.01	351.70	7.66	-29.35
O=C([O-])C1([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)CCCC2CC21	REAL300012039333	0	46	0.0	-31.31	369.60	10.17	-21.14
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC=C3)S2)CCCC2CC21	REAL300012039334	0	44	0.0	-29.44	342.97	11.52	-17.92
CCCOC1=C(Cl)C=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039335	0	51	0.0	-32.22	400.06	10.23	-21.99
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)CCCC2CC21	REAL300012039336	0	44	0.0	-43.09	353.48	10.72	-32.37
CC(CCC1=CC=CC=C1)C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039337	0	49	0.0	-36.09	354.25	11.61	-24.48
CC1(C)CCC2=C(C1)SC(C[NH2+]C1(C(=O)[O-])CCCC3CC31)=N2	REAL300012039338	0	49	0.0	-31.72	359.35	9.39	-22.33
CC1=C(C)C=C2OC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CC2=C1	REAL300012039339	0	46	0.0	-28.58	341.30	10.47	-18.11
O=C([O-])C1([NH2+]CC2=CC=C(N3C=CN=C3)C=C2)CCCC2CC21	REAL300012039340	0	44	0.0	-37.88	331.08	11.12	-26.76
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)CCCC2CC21	REAL300012039341	0	44	0.0	-30.22	343.79	10.75	-19.47
O=C([O-])C1([NH2+]CC2=CC(Cl)=C3OCCOC3=C2)CCCC2CC21	REAL300012039342	0	43	0.0	-35.02	339.11	8.33	-26.69
O=C([O-])C1([NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)CCCC2CC21	REAL300012039343	0	50	0.0	-38.75	382.02	13.40	-25.35
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OCC1=CC=CS1	REAL300012039344	0	52	0.0	-35.41	405.87	10.98	-24.43
O=C([O-])C1([NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)CCCC2CC21	REAL300012039345	0	46	0.0	-35.13	354.00	9.22	-25.91
O=C([O-])C1([NH2+]CC2=CC=CC(OCC3=CC=CC=C3Cl)=C2)CCCC2CC21	REAL300012039346	0	51	0.0	-32.53	404.17	12.43	-20.10
O=C([O-])C1([NH2+]CC2CCC(C(F)(F)F)CC2)CCCC2CC21	REAL300012039347	0	46	0.0	-34.69	322.18	9.61	-25.08
O=C([O-])C1([NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)CCCC2CC21	REAL300012039348	0	44	0.0	-36.32	356.84	9.33	-26.99
O=C([O-])C1([NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)CCCC2CC21	REAL300012039349	0	43	0.0	-29.44	351.52	9.32	-20.12
O=C([O-])C1([NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)CCCC2CC21	REAL300012039350	0	43	0.0	-29.56	350.61	9.13	-20.43
CCSC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039351	0	44	0.0	-30.61	341.42	10.42	-20.19
O=C([O-])C1([NH2+]CC2=C(O)C=CC(Cl)=C2F)CCCC2CC21	REAL300012039352	1	38	0.0	-29.21	305.17	6.43	-22.78
CCN1N=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C2=CC=CC=C21	REAL300012039353	0	46	0.0	-27.73	346.88	9.52	-18.21
O=C([O-])C1([NH2+]CC2=CC(Br)=C(Cl)S2)CCCC2CC21	REAL300012039354	0	34	0.0	-30.20	302.85	9.05	-21.15
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1[N+](=O)[O-]	REAL300012039355	0	54	0.0	-44.82	410.66	13.68	-31.14
CCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039356	0	47	0.0	-32.84	347.97	9.76	-23.08
COC1=CC=C(C2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)O2)C([N+](=O)[O-])=C1	REAL300012039357	0	50	0.0	-35.68	388.96	11.21	-24.47
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)O2)CCCC2CC21	REAL300012039358	0	44	0.0	-38.34	370.66	11.50	-26.84
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC=C3)O2)CCCC2CC21	REAL300012039359	0	44	0.0	-28.74	335.37	10.64	-18.10
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OC(C)C	REAL300012039360	0	51	0.0	-34.99	378.83	9.34	-25.65
CCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OCC	REAL300012039361	0	54	0.0	-33.75	399.08	10.57	-23.18
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1[N+](=O)[O-]	REAL300012039362	0	42	0.0	-44.87	319.03	9.93	-34.94
CC(C)OC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039363	0	47	0.0	-33.54	344.24	9.58	-23.96
CCCCCCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039364	0	59	0.0	-32.73	433.97	12.88	-19.85
CC(C[NH2+]C1(C(=O)[O-])CCCC2CC21)CC1=CC=C(C(C)(C)C)C=C1	REAL300012039365	0	58	0.0	-32.35	411.59	12.99	-19.36
O=C([O-])C1([NH2+]CC2=C(Br)C=CS2)CCCC2CC21	REAL300012039366	0	34	0.0	-29.13	284.80	8.38	-20.75
O=C([O-])C1([NH2+]CC2=CC(F)=CC=C2Br)CCCC2CC21	REAL300012039367	0	37	0.0	-29.17	295.81	9.29	-19.88
CC(C)CC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039368	0	49	0.0	-31.10	356.31	11.42	-19.68
CC1=CC=C(C2=CC=CC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=C2)C=C1	REAL300012039369	0	50	0.0	-31.84	370.74	12.81	-19.03
COC1=CC=C(Br)C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039370	0	41	0.0	-29.47	316.27	8.64	-20.83
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1[N+](=O)[O-]	REAL300012039371	0	43	0.0	-36.56	330.65	9.47	-27.09
O=C([O-])C1([NH2+]CC2=CC(Cl)=CC(Cl)=C2)CCCC2CC21	REAL300012039372	0	37	0.0	-32.10	312.11	9.64	-22.46
O=C([O-])C1([NH2+]CC2=CC(Br)=CO2)CCCC2CC21	REAL300012039373	0	34	0.0	-29.87	277.58	7.51	-22.36
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039374	0	50	0.0	-33.87	371.18	12.81	-21.06
O=C([O-])C1([NH2+]CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)CCCC2CC21	REAL300012039375	0	43	0.0	-34.59	356.44	10.64	-23.95
O=C([O-])C1([NH2+]CC2=CC=CC(OC(F)F)=C2)CCCC2CC21	REAL300012039376	0	41	0.0	-34.04	318.99	8.15	-25.89
CCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OCC	REAL300012039377	0	51	0.0	-35.04	382.19	9.60	-25.44
O=C([O-])C1([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)CCCC2CC21	REAL300012039378	0	40	0.0	-37.73	327.02	10.14	-27.59
O=C([O-])C1([NH2+]CC2=CC=C(F)C=C2Br)CCCC2CC21	REAL300012039379	0	37	0.0	-32.07	295.80	9.29	-22.78
O=C([O-])C1([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)CCCC2CC21	REAL300012039380	0	41	0.0	-31.87	325.74	8.36	-23.51
COC1=CC=CC=C1C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039381	0	51	0.0	-33.02	383.33	11.80	-21.22
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)CCCC2CC21	REAL300012039382	0	47	0.0	-39.56	377.82	11.54	-28.02
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(Br)=C1O	REAL300012039383	0	42	0.0	-35.70	328.73	6.40	-29.30
O=C([O-])C1([NH2+]CC2=CSC(Br)=C2)CCCC2CC21	REAL300012039384	0	34	0.0	-33.67	290.30	8.29	-25.38
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OCC1=CC=CN=C1	REAL300012039385	0	54	0.0	-37.77	410.47	10.12	-27.65
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)S2)CCCC2CC21	REAL300012039386	0	44	0.0	-30.66	374.85	12.49	-18.17
O=C([O-])C1([NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)CCCC2CC21	REAL300012039387	0	47	0.0	-32.93	353.95	11.97	-20.96
O=C([O-])C1([NH2+]CC2=CC=C(N3CCCC3)N=C2)CCCC2CC21	REAL300012039388	0	48	0.0	-31.96	352.57	8.54	-23.42
O=C([O-])C1([NH2+]CC2=CC=C(Br)C(F)=C2)CCCC2CC21	REAL300012039389	0	37	0.0	-33.25	306.69	9.23	-24.02
O=C([O-])C1([NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)CCCC2CC21	REAL300012039390	0	46	0.0	-30.28	349.57	10.51	-19.77
O=C([O-])C1([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)CCCC2CC21	REAL300012039391	0	46	0.0	-36.82	344.35	10.37	-26.45
O=C([O-])C1([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)CCCC2CC21	REAL300012039392	0	46	0.0	-34.34	347.40	10.28	-24.06
CN1CCN(C2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2)CC1	REAL300012039393	1	54	0.0	-33.11	384.28	7.46	-25.65
O=C([O-])C1([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)CCCC2CC21	REAL300012039394	0	46	0.0	-36.99	356.38	7.27	-29.72
CNC(=O)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039395	0	44	0.0	-41.60	331.59	7.01	-34.59
O=C([O-])C1([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)CCCC2CC21	REAL300012039396	0	44	0.0	-39.15	340.15	10.02	-29.13
O=C([O-])C1([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)CCCC2CC21	REAL300012039397	0	44	0.0	-38.45	350.47	10.47	-27.98
O=C([O-])C1([NH2+]CC2=C(Cl)N=C(SC3=CC=CC=C3)S2)CCCC2CC21	REAL300012039398	0	44	0.0	-32.38	378.52	10.65	-21.73
CC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC(C)=C1OCC1=CC=CC=N1	REAL300012039399	0	56	0.0	-34.43	420.96	11.82	-22.61
O=C([O-])C1([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)CCCC2CC21	REAL300012039400	0	44	0.0	-36.53	346.05	9.42	-27.11
CCOC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OCC1=CC=CC=C1	REAL300012039401	0	58	0.0	-35.24	437.49	12.82	-22.42
COC1=C2OC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CC2=CC=C1	REAL300012039402	0	44	0.0	-29.72	332.50	8.56	-21.16
CC(C)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1[N+](=O)[O-]	REAL300012039403	0	48	0.0	-43.95	357.57	10.88	-33.07
O=C([O-])C1([NH2+]CC2=CC(Br)=C3OCOC3=C2)CCCC2CC21	REAL300012039404	0	40	0.0	-34.32	322.48	8.01	-26.31
CCOC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OCC(C)C	REAL300012039405	0	57	0.0	-34.63	423.80	11.08	-23.55
O=C([O-])C1([NH2+]CC2=CC(Br)=CC=C2F)CCCC2CC21	REAL300012039406	0	37	0.0	-32.23	301.99	9.38	-22.85
COC1=CC(Br)=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039407	0	45	0.0	-32.48	345.74	8.56	-23.92
O=C([O-])C1([NH2+]CC2=CC=C(Br)C=C2F)CCCC2CC21	REAL300012039408	0	37	0.0	-35.31	301.99	9.39	-25.92
COC1=CC(OC)=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039409	0	45	0.0	-33.10	337.64	7.24	-25.86
COC1=CC2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2C=C1	REAL300012039410	0	47	0.0	-33.62	350.58	10.28	-23.34
O=C([O-])C1([NH2+]CC2=CC(Br)=CS2)CCCC2CC21	REAL300012039412	0	34	0.0	-30.22	286.82	8.47	-21.75
CCCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OCC	REAL300012039413	0	57	0.0	-35.09	420.58	11.35	-23.74
O=C([O-])C1([NH2+]CC2=CC=C(CSC(F)F)O2)CCCC2CC21	REAL300012039414	0	41	0.0	-29.86	335.66	9.31	-20.55
O=C([O-])C1([NH2+]CC2=CC3=CC=CC=C3NC2=O)CCCC2CC21	REAL300012039415	0	43	0.0	-26.92	325.00	7.80	-19.12
O=C([O-])C1([NH2+]CC2=CC=C(F)C(Br)=C2)CCCC2CC21	REAL300012039417	0	37	0.0	-33.03	306.69	9.22	-23.81
CC1=CC=C(COC2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2)C=C1	REAL300012039418	0	54	0.0	-34.54	407.80	12.69	-21.85
O=C([O-])C1([NH2+]CC2=CC=C(N3CCCCC3)C=C2)CCCC2CC21	REAL300012039419	0	52	0.0	-32.67	372.62	9.85	-22.82
CCCCCCOC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039420	0	56	0.0	-30.81	417.09	11.94	-18.87
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1SC	REAL300012039421	0	45	0.0	-34.89	348.65	8.91	-25.98
N#CCCCOC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039422	0	48	0.0	-38.64	373.45	10.11	-28.53
CCCCCOC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OC	REAL300012039423	0	57	0.0	-33.86	420.22	11.21	-22.65
CCC(C)OC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OC	REAL300012039424	0	54	0.0	-34.67	394.07	10.27	-24.40
CCCCCCCOC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039425	0	59	0.0	-30.72	438.59	12.72	-18.00
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OCCCC#N	REAL300012039426	0	52	0.0	-44.77	398.08	10.17	-34.60
C=C(C)COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OC	REAL300012039427	0	52	0.0	-35.77	392.65	10.04	-25.73
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OCCC(C)C	REAL300012039428	0	57	0.0	-34.92	420.90	10.79	-24.13
C=CCC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC(OC)=C1O	REAL300012039429	0	49	0.0	-33.44	369.99	7.88	-25.56
O=C([O-])C1([NH2+]CC2=CC(C3=CC=CC=C3)=NN2)CCCC2CC21	REAL300012039430	0	44	0.0	-33.24	334.52	8.66	-24.58
CCOC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OCC(F)(F)F	REAL300012039431	0	51	0.0	-37.27	401.77	10.07	-27.20
O=C([O-])C1([NH2+]CC2=CN(C3=CC=CC=C3)N=N2)CCCC2CC21	REAL300012039432	0	43	0.0	-29.13	328.03	8.56	-20.57
O=C([O-])C1([NH2+]CC2=NC(C3=CC=CC=C3)=CS2)CCCC2CC21	REAL300012039433	0	43	0.0	-35.19	338.27	9.49	-25.70
O=C([O-])C1([NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)CCCC2CC21	REAL300012039434	0	50	0.0	-33.82	373.73	7.70	-26.12
C=CCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1Cl	REAL300012039435	0	45	0.0	-32.64	359.97	9.92	-22.72
O=C([O-])C1([NH2+]CC2=CN=C(C3=CC=CC=C3)S2)CCCC2CC21	REAL300012039436	0	43	0.0	-31.12	340.15	9.77	-21.35
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C2OC(C)CC2=C1	REAL300012039437	0	49	0.0	-32.56	361.58	8.61	-23.95
CC1(C)CC2=CC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CC=C2O1	REAL300012039438	0	48	0.0	-33.79	352.53	9.99	-23.80
O=C([O-])C1([NH2+]CC2=COC(C3=CC=CC=C3)=N2)CCCC2CC21	REAL300012039439	0	43	0.0	-28.11	331.79	7.17	-20.94
O=C([O-])C1([NH2+]CC2=CSC(C3=CC=CS3)=N2)CCCC2CC21	REAL300012039440	0	40	0.0	-26.99	331.59	8.57	-18.42
O=C([O-])C1([NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)CCCC2CC21	REAL300012039441	0	40	0.0	-32.11	333.46	10.13	-21.98
O=C([O-])C1([NH2+]CC2=CC(Br)=CC(C(F)(F)F)=C2)CCCC2CC21	REAL300012039442	0	40	0.0	-32.14	338.03	10.24	-21.90
O=C([O-])C1([NH2+]CC2=CC=C(Br)C=C2Cl)CCCC2CC21	REAL300012039443	0	37	0.0	-32.27	308.70	9.79	-22.48
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(Br)=C1	REAL300012039444	0	40	0.0	-30.63	310.83	9.89	-20.74
CC(C)COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039445	0	50	0.0	-32.72	368.08	10.45	-22.27
COCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039446	0	48	0.0	-35.59	360.10	8.23	-27.36
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039447	0	52	0.0	-35.99	408.48	12.26	-23.73
O=C([O-])C1([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)CCCC2CC21	REAL300012039448	0	41	0.0	-34.96	334.97	8.69	-26.27
O=C([O-])C1([NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)CCCC2CC21	REAL300012039449	0	45	0.0	-33.65	368.17	10.20	-23.45
COC1=CC2=C(C=C1C[NH2+]C1(C(=O)[O-])CCCC3CC31)OCO2	REAL300012039450	0	44	0.0	-33.49	329.35	6.76	-26.73
CC(C)COC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039451	0	50	0.0	-30.59	372.70	10.29	-20.30
O=C([O-])C1([NH2+]CC2=CN=CC(Br)=C2)CCCC2CC21	REAL300012039452	0	36	0.0	-32.10	294.18	7.47	-24.63
CN1N=NC2=CC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CC=C21	REAL300012039453	0	42	0.0	-34.72	321.97	7.08	-27.64
CC1(C)CC2=CC=CC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=C2O1	REAL300012039454	0	48	0.0	-34.17	352.35	9.95	-24.22
O=C([O-])C1([NH2+]CC2=CC(Br)=CC3=C2OCC3)CCCC2CC21	REAL300012039455	0	42	0.0	-32.40	332.20	9.16	-23.24
O=C([O-])C1([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)CCCC2CC21	REAL300012039456	0	44	0.0	-30.83	336.26	9.81	-21.02
CC1=C(Br)SC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039457	0	37	0.0	-28.39	306.63	9.18	-19.21
O=C([O-])C1([NH2+]CC2=CC=C(Br)C3=CC=CN=C23)CCCC2CC21	REAL300012039458	0	42	0.0	-34.53	333.50	9.78	-24.75
CC1=NC2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2C=C1	REAL300012039459	0	45	0.0	-34.46	341.34	9.60	-24.86
COC1=CC=C(OC2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2)C=C1	REAL300012039460	0	52	0.0	-34.73	393.52	10.89	-23.84
CC1=CC(C2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2)=CC(C)=C1	REAL300012039461	0	53	0.0	-33.07	392.14	13.47	-19.60
CC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1N1C=NC=N1	REAL300012039462	0	46	0.0	-37.74	349.42	12.28	-25.46
O=C([O-])C1([NH2+]CC2=CC3=CC(F)=CC=C3O2)CCCC2CC21	REAL300012039463	0	40	0.0	-29.82	309.42	9.34	-20.48
O=C([O-])C1([NH2+]CC2=CC=C(OCC(F)F)C=C2)CCCC2CC21	REAL300012039464	0	44	0.0	-38.73	339.49	9.28	-29.45
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039465	0	47	0.0	-35.28	370.25	11.05	-24.23
O=C([O-])C1([NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)CCCC2CC21	REAL300012039466	0	51	0.0	-36.39	392.81	12.08	-24.31
O=C([O-])C1([NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)CCCC2CC21	REAL300012039467	0	48	0.0	-34.98	375.67	12.85	-22.13
COC1=CC(C)=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039468	0	48	0.0	-32.11	346.07	8.47	-23.64
O=C([O-])C1([NH2+]CC2=NC(C3=CC(Cl)=CC=C3Cl)=CS2)CCCC2CC21	REAL300012039469	0	43	0.0	-34.79	367.15	10.93	-23.86
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039470	0	43	0.0	-26.77	338.34	9.60	-17.17
CSC1=CC(Br)=CC=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039471	0	41	0.0	-31.09	331.17	10.26	-20.83
O=C([O-])C1([NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)CCCC2CC21	REAL300012039472	0	47	0.0	-33.05	368.56	10.36	-22.69
CC1CCC2=C(C1)SC(C[NH2+]C1(C(=O)[O-])CCCC3CC31)=N2	REAL300012039473	0	46	0.0	-31.94	344.47	9.09	-22.85
CC(C)(C)C1CCC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)CC1	REAL300012039474	0	55	0.0	-32.82	356.07	10.75	-22.07
O=C([O-])C1([NH2+]CC2=CC=C(OC(F)F)C(Br)=C2)CCCC2CC21	REAL300012039475	0	41	0.0	-34.75	339.36	8.81	-25.94
O=C([O-])C1([NH2+]CC2=CN(CC3=CC=C(C(F)(F)F)C=C3)N=C2)CCCC2CC21	REAL300012039476	0	50	0.0	-33.26	400.88	11.29	-21.97
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039477	0	51	0.0	-33.89	377.49	11.52	-22.37
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039478	0	50	0.0	-35.58	372.61	9.77	-25.81
O=C([O-])C1([NH2+]CC2=CC=C(OCC3CC3)C=C2)CCCC2CC21	REAL300012039479	0	48	0.0	-33.14	358.15	10.54	-22.60
COC1=CC(Cl)=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1Cl	REAL300012039480	0	41	0.0	-31.53	328.28	9.04	-22.49
CC(C)CC1=NC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)S1	REAL300012039481	0	45	0.0	-30.67	341.52	8.70	-21.97
O=C([O-])C1([NH2+]CC2=CN=C(C3=CC=CS3)S2)CCCC2CC21	REAL300012039482	0	40	0.0	-30.19	332.02	8.84	-21.35
O=C([O-])C1([NH2+]CC2=CN=C(C3=CSC=C3)S2)CCCC2CC21	REAL300012039483	0	40	0.0	-30.82	331.29	8.71	-22.11
CC1=CC=C(C2=NC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)S2)O1	REAL300012039484	0	43	0.0	-31.11	344.83	8.67	-22.44
CC1=CC(Br)=CC=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039485	0	40	0.0	-30.13	308.58	9.90	-20.23
O=C([O-])C1([NH2+]CC2=CC=C(Cl)C(Br)=C2)CCCC2CC21	REAL300012039486	0	37	0.0	-32.41	315.81	9.64	-22.77
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)CCCC2CC21	REAL300012039487	0	46	0.0	-38.83	350.08	10.42	-28.41
O=C([O-])C1([NH2+]CC2=C(Cl)OC3=CC=CC=C32)CCCC2CC21	REAL300012039488	0	40	0.0	-27.23	316.57	9.60	-17.63
O=C([O-])C1([NH2+]CC2=CC=C(Cl)C=C2Br)CCCC2CC21	REAL300012039489	0	37	0.0	-31.48	306.14	9.74	-21.74
COC1=C(Br)C=CC=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039490	0	41	0.0	-34.93	319.84	8.91	-26.02
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)CCCC2CC21	REAL300012039491	0	44	0.0	-29.85	341.77	10.70	-19.15
CC(C)(C)C1=NC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)S1	REAL300012039492	0	45	0.0	-30.47	341.96	8.52	-21.95
O=C([O-])C1([NH2+]CC2=CC=C3OCCOC3=C2)CCCC2CC21	REAL300012039493	0	43	0.0	-32.42	319.63	7.89	-24.53
O=C([O-])C1([NH2+]CC2=CC=CC(Br)=C2)CCCC2CC21	REAL300012039494	0	37	0.0	-30.93	301.03	9.18	-21.75
O=C([O-])C1([NH2+]CC2=CN(C3=CC=CC=C3)N=C2)CCCC2CC21	REAL300012039495	0	44	0.0	-34.26	333.74	9.94	-24.32
O=C([O-])C1([NH2+]CC2=CN(CC3=CC=CC=C3Cl)N=C2)CCCC2CC21	REAL300012039496	0	47	0.0	-41.43	371.77	10.88	-30.55
CC(=O)NC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039497	0	44	0.0	-40.83	331.68	7.63	-33.20
CCN(CC)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039498	0	51	0.0	-31.26	370.25	11.04	-20.22
O=C([O-])C1([NH2+]CC2=CC=C(Br)C=C2)CCCC2CC21	REAL300012039499	0	37	0.0	-32.39	296.41	9.36	-23.03
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC(OC)=C1OC	REAL300012039500	0	49	0.0	-36.39	367.02	7.85	-28.54
COC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1OC	REAL300012039501	0	45	0.0	-35.57	330.86	8.18	-27.39
O=C([O-])C1([NH2+]CC2=CC=C(Cl)C=C2Cl)CCCC2CC21	REAL300012039502	0	37	0.0	-32.35	304.15	9.69	-22.66
O=C([O-])C1([NH2+]CC2=CC=C(N3CCOCC3)C=C2)CCCC2CC21	REAL300012039503	0	50	0.0	-33.04	359.13	7.57	-25.47
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039504	0	45	0.0	-35.48	338.48	7.76	-27.72
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(OC)=C1	REAL300012039505	0	45	0.0	-34.06	332.82	7.39	-26.67
O=C([O-])C1([NH2+]CC2=CC=C(C(F)(F)F)C=C2)CCCC2CC21	REAL300012039506	0	40	0.0	-34.89	318.43	9.57	-25.32
O=C([O-])C1([NH2+]CC2=CC=CC(Cl)=C2Cl)CCCC2CC21	REAL300012039507	0	37	0.0	-35.11	297.68	9.69	-25.42
O=C([O-])C1([NH2+]CC2=CC=C(Cl)C(Cl)=C2)CCCC2CC21	REAL300012039508	0	37	0.0	-32.61	311.60	9.53	-23.08
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039509	0	58	0.0	-32.82	425.18	13.86	-18.96
O=C([O-])C1([NH2+]CC2=CC=C(OC(F)F)C=C2)CCCC2CC21	REAL300012039510	0	41	0.0	-33.14	314.38	8.31	-24.83
CCCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039511	0	50	0.0	-32.90	369.47	10.54	-22.36
CC(C)CCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039512	0	53	0.0	-32.85	387.04	11.06	-21.79
CCCCCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039513	0	56	0.0	-32.83	412.47	12.10	-20.73
O=C([O-])C1([NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)CCCC2CC21	REAL300012039514	0	48	0.0	-30.07	367.29	11.47	-18.60
CCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039515	0	48	0.0	-35.14	360.34	8.68	-26.46
O=C([O-])C1([NH2+]CC2=CC=CC(C(F)(F)F)=C2)CCCC2CC21	REAL300012039516	0	40	0.0	-31.78	318.47	9.56	-22.22
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(OC)=C1OC	REAL300012039517	0	49	0.0	-35.48	360.50	7.74	-27.74
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OCC1=CC=CC=C1	REAL300012039518	0	55	0.0	-36.36	420.25	11.74	-24.62
COC1=CC=C(Br)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039519	0	41	0.0	-30.95	324.64	8.71	-22.24
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC(Br)=C1O	REAL300012039520	0	42	0.0	-32.35	338.67	6.41	-25.94
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)CCCC2CC21	REAL300012039521	0	47	0.0	-33.13	349.34	12.15	-20.98
COC1=CC(OC)=C(OC)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039522	0	49	0.0	-34.82	362.04	7.29	-27.53
O=C([O-])C1([NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)CCCC2CC21	REAL300012039523	0	51	0.0	-35.58	386.39	12.01	-23.57
O=C([O-])C1([NH2+]CC2=CC=CC=C2Br)CCCC2CC21	REAL300012039524	0	37	0.0	-31.01	286.89	9.35	-21.66
O=C([O-])C1([NH2+]CC2=CN(C3=CC=C(Br)C=C3)N=C2)CCCC2CC21	REAL300012039525	0	44	0.0	-38.40	355.03	10.57	-27.83
O=C([O-])C1([NH2+]CC2=CN(CC(F)(F)F)N=C2)CCCC2CC21	REAL300012039526	0	40	0.0	-36.22	317.13	7.89	-28.33
O=C([O-])C1([NH2+]CC2=CC=CC=C2I)CCCC2CC21	REAL300012039527	0	37	0.0	-29.32	291.19	9.78	-19.54
O=C([O-])C1([NH2+]CC2=CC=C(N3CCCCC3)C([N+](=O)[O-])=C2)CCCC2CC21	REAL300012039528	0	54	0.0	-33.97	398.13	11.98	-21.99
CN(CCC#N)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039529	0	49	0.0	-37.06	369.30	10.59	-26.47
CCOC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1OC	REAL300012039530	0	48	0.0	-35.52	352.72	9.10	-26.42
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OCC(N)=O	REAL300012039531	0	49	0.0	-46.62	372.46	5.89	-40.73
CCNC(=O)COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039532	0	55	0.0	-43.35	420.49	8.01	-35.34
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC2=C1OCO2	REAL300012039533	0	44	0.0	-34.55	330.71	6.68	-27.87
O=C([O-])C1([NH2+]CC2=NN(C3=CC=CC=C3)N=C2)CCCC2CC21	REAL300012039534	0	43	0.0	-29.38	329.55	8.52	-20.86
COC1=CC2=C(C=C1C[NH2+]C1(C(=O)[O-])CCCC3CC31)OC(C)C2	REAL300012039535	0	49	0.0	-31.66	360.16	8.69	-22.97
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC(OC)=C1OCC(N)=O	REAL300012039536	0	53	0.0	-45.39	405.61	5.69	-39.70
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC(Cl)=C1OCC(N)=O	REAL300012039537	0	49	0.0	-39.98	395.29	6.45	-33.53
CCN(C(C)=O)C1=NC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CS1	REAL300012039538	0	46	0.0	-30.99	352.93	8.57	-22.42
O=C([O-])C1([NH2+]CC2=CC=CC(I)=C2)CCCC2CC21	REAL300012039539	0	37	0.0	-30.67	307.51	9.66	-21.01
O=C([O-])C1([NH2+]CC2=CC=C(I)C=C2)CCCC2CC21	REAL300012039540	0	37	0.0	-32.27	302.90	9.83	-22.44
CS(=O)(=O)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039541	0	43	0.0	-39.63	335.81	6.26	-33.37
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)CCCC2CC21	REAL300012039542	0	47	0.0	-33.80	366.06	12.67	-21.13
COC1=CC=C(Cl)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039543	0	41	0.0	-31.06	320.08	8.61	-22.45
COC(=O)C1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CN1C	REAL300012039544	0	44	0.0	-42.07	334.55	8.94	-33.13
O=C([O-])C1([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)CCCC2CC21	REAL300012039545	0	50	0.0	-35.66	379.16	10.32	-25.34
O=C([O-])C1([NH2+]CC2=CC=C(Br)C=N2)CCCC2CC21	REAL300012039546	0	36	0.0	-27.05	291.42	7.51	-19.54
O=C([O-])C1([NH2+]CC2=CN=C(N3CCOCC3)S2)CCCC2CC21	REAL300012039547	0	46	0.0	-31.89	348.80	6.06	-25.83
C#CCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039548	0	46	0.0	-33.41	353.76	10.28	-23.13
CC1=NN(C)C2=NC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C12	REAL300012039549	0	45	0.0	-36.29	344.17	8.36	-27.93
O=C([O-])C1([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)CCCC2CC21	REAL300012039550	0	40	0.0	-28.02	318.82	9.75	-18.27
CCOCC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OC	REAL300012039551	0	51	0.0	-29.85	378.71	8.94	-20.91
O=C([O-])C1([NH2+]CC2=NC=CN2CC(F)(F)F)CCCC2CC21	REAL300012039552	0	40	0.0	-26.08	309.32	8.62	-17.46
O=C([O-])C1([NH2+]CC2=CSC(C3=CC=C4OCOC4=C3)=N2)CCCC2CC21	REAL300012039553	0	46	0.0	-30.21	366.01	8.20	-22.01
O=C([O-])C1([NH2+]CC2=CC(C(F)(F)F)=CC=C2Br)CCCC2CC21	REAL300012039554	0	40	0.0	-29.49	325.51	10.35	-19.14
O=C([O-])C1([NH2+]CC2=CSC=C2Br)CCCC2CC21	REAL300012039555	0	34	0.0	-31.58	285.35	8.05	-23.53
O=C([O-])C1([NH2+]CC2=NC3=C(CCCC3)S2)CCCC2CC21	REAL300012039556	0	43	0.0	-32.23	323.64	8.48	-23.75
O=C([O-])C1([NH2+]CC2=CC(F)=CC(Br)=C2)CCCC2CC21	REAL300012039557	0	37	0.0	-32.15	305.71	9.33	-22.82
O=C([O-])C1([NH2+]CC2=CC=CC(F)=C2Br)CCCC2CC21	REAL300012039558	0	37	0.0	-34.82	292.64	9.40	-25.42
O=C([O-])C1([NH2+]CC2=CC=CC(Br)=C2F)CCCC2CC21	REAL300012039559	0	37	0.0	-26.25	298.85	9.36	-16.89
CC(C)(C)C1=NC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=N1	REAL300012039560	0	47	0.0	-35.46	350.34	8.53	-26.93
CS(=O)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039561	0	42	0.0	-46.69	327.33	7.33	-39.36
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(C)=C1OC	REAL300012039562	0	48	0.0	-33.31	347.65	8.51	-24.80
O=C([O-])C1([NH2+]CC2=CSC(Cl)=C2Cl)CCCC2CC21	REAL300012039563	0	34	0.0	-33.85	296.14	8.74	-25.11
O=C([O-])C1([NH2+]CC2=CN=C(C(F)(F)F)S2)CCCC2CC21	REAL300012039564	0	36	0.0	-32.42	301.19	7.15	-25.27
CS(=O)(=O)C1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039565	0	43	0.0	-37.36	340.43	6.08	-31.28
O=C([O-])C1([NH2+]CC2=CC=C(C3CCCC3)C=C2)CCCC2CC21	REAL300012039566	0	50	0.0	-31.04	358.67	11.92	-19.12
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC2=CC=CC=C21	REAL300012039567	0	47	0.0	-33.69	352.37	10.23	-23.46
CCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1F	REAL300012039568	0	44	0.0	-33.73	337.26	8.87	-24.86
COC1=CC=CC2=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=CC=C12	REAL300012039569	0	47	0.0	-32.20	341.66	10.17	-22.03
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1C#N	REAL300012039570	0	42	0.0	-40.12	329.45	8.28	-31.84
O=C([O-])C1([NH2+]CC2=NC=C(C(F)(F)F)S2)CCCC2CC21	REAL300012039571	0	36	0.0	-32.50	300.48	7.05	-25.45
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(Br)=C1	REAL300012039572	0	41	0.0	-32.53	318.87	8.51	-24.02
CC1=CC(Br)=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)S1	REAL300012039573	0	37	0.0	-28.43	306.69	9.18	-19.25
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039574	0	52	0.0	-31.54	389.43	11.27	-20.27
CN1C(=O)CCC2=CC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CC=C21	REAL300012039575	0	48	0.0	-39.28	354.51	9.53	-29.75
O=C([O-])C1([NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)CCCC2CC21	REAL300012039576	0	43	0.0	-31.19	356.87	10.29	-20.90
O=C([O-])C1([NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)CCCC2CC21	REAL300012039577	0	43	0.0	-34.60	344.66	10.00	-24.60
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC(OC)=C1OCC(F)F	REAL300012039578	0	52	0.0	-40.24	401.89	9.10	-31.14
O=C([O-])C1([NH2+]CC2=CC=NC3=C(Br)C=CC=C23)CCCC2CC21	REAL300012039579	0	42	0.0	-34.08	329.41	9.67	-24.41
O=C([O-])C1([NH2+]CC2=CN=C(C3CCCC3)S2)CCCC2CC21	REAL300012039580	0	46	0.0	-30.51	347.03	9.37	-21.14
O=C([O-])C1([NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)CCCC2CC21	REAL300012039581	0	43	0.0	-32.91	348.31	9.99	-22.92
O=C([O-])C1([NH2+]CC2=CN=C(C3=CC=CO3)S2)CCCC2CC21	REAL300012039582	0	40	0.0	-31.54	322.92	7.85	-23.69
O=C([O-])C1([NH2+]CC2=CC=C(Br)C(Cl)=C2)CCCC2CC21	REAL300012039583	0	37	0.0	-32.56	315.81	9.64	-22.92
O=C([O-])C1([NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)CCCC2CC21	REAL300012039584	0	49	0.0	-32.02	384.71	11.25	-20.77
CN1C=C(C2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2)C=N1	REAL300012039585	0	47	0.0	-37.57	355.24	10.03	-27.54
O=C([O-])C1([NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)CCCC2CC21	REAL300012039586	0	48	0.0	-35.97	371.32	11.72	-24.25
CN(C)C(=O)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)N1	REAL300012039587	0	45	0.0	-36.48	332.38	6.92	-29.56
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=N1	REAL300012039588	0	51	0.0	-37.91	383.47	11.18	-26.73
O=C([O-])C1([NH2+]CC2=CN=C(C3CCC3)S2)CCCC2CC21	REAL300012039589	0	43	0.0	-30.38	329.68	8.85	-21.53
O=C([O-])C1([NH2+]CC2=CN=C(C3CCCO3)S2)CCCC2CC21	REAL300012039590	0	44	0.0	-34.00	339.19	6.95	-27.05
CC1=CC=CC=C1N1C=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)N=N1	REAL300012039591	0	46	0.0	-28.98	348.69	9.46	-19.52
CN1N=C(Br)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039592	0	37	0.0	-34.53	293.68	6.73	-27.80
CN1C=C(C2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)S2)C=N1	REAL300012039593	0	44	0.0	-33.52	349.08	9.43	-24.09
O=C([O-])C1([NH2+]CC2=CC=C3OCCCCOC3=C2)CCCC2CC21	REAL300012039594	0	49	0.0	-31.85	354.19	9.62	-22.23
O=C([O-])C1([NH2+]CC2=CC=C(F)C(Cl)=C2Cl)CCCC2CC21	REAL300012039595	0	37	0.0	-37.28	303.83	9.71	-27.57
O=C([O-])C1([NH2+]CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)CCCC2CC21	REAL300012039596	0	47	0.0	-39.60	372.45	10.95	-28.65
CC1=CC(Br)=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1Cl	REAL300012039597	0	40	0.0	-28.78	322.43	10.45	-18.33
O=C([O-])C1([NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)CCCC2CC21	REAL300012039598	0	47	0.0	-31.13	374.46	10.72	-20.41
CC(C)(C)C1=CN=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)S1	REAL300012039599	1	45	0.0	-26.21	344.35	8.39	-17.82
COC(=O)C1=C(C)N(C)C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039600	0	47	0.0	-40.67	356.75	9.09	-31.58
COCCOCC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039601	0	51	0.0	-34.32	385.66	8.69	-25.63
CSCC1=CN=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)S1	REAL300012039602	1	40	0.0	-33.66	326.54	7.90	-25.76
CC1=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)SC2=C(Cl)C=CC=C12	REAL300012039603	0	43	0.0	-27.48	345.77	11.26	-16.22
O=C([O-])C1([NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)CCCC2CC21	REAL300012039604	0	51	0.0	-42.99	402.07	11.03	-31.96
O=C([O-])C1([NH2+]CC2=CC=C(F)C=C2I)CCCC2CC21	REAL300012039605	0	37	0.0	-30.64	299.45	9.69	-20.95
O=C([O-])C1([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)CCCC2CC21	REAL300012039606	0	40	0.0	-39.06	317.59	7.73	-31.33
O=C([O-])C1([NH2+]CC2=CC(Br)=CN=C2Cl)CCCC2CC21	REAL300012039607	0	36	0.0	-32.86	299.16	7.97	-24.89
O=C([O-])C1([NH2+]CC2=CC(OC(F)F)=CC=C2Br)CCCC2CC21	REAL300012039608	0	41	0.0	-31.75	326.03	8.92	-22.83
COC(=O)C1=C(C)C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CN1	REAL300012039609	0	44	0.0	-39.87	332.68	7.76	-32.11
CC1=CC=C(C2=NC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)S2)C=C1C	REAL300012039610	0	49	0.0	-31.10	378.52	10.97	-20.13
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039611	0	47	0.0	-39.32	357.96	10.69	-28.63
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039612	0	47	0.0	-37.04	365.68	11.23	-25.81
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039613	0	50	0.0	-34.69	374.92	11.21	-23.48
CC(C)(C#N)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039614	0	47	0.0	-39.28	351.74	10.69	-28.59
COC1=CC(OC)=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1F	REAL300012039615	0	45	0.0	-33.43	339.04	7.47	-25.96
COC1=CC(F)=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039616	0	45	0.0	-29.15	336.99	7.94	-21.21
O=C([O-])C1([NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3F)=C2)CCCC2CC21	REAL300012039617	0	51	0.0	-33.40	401.13	12.08	-21.32
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039618	0	50	0.0	-35.03	375.04	11.20	-23.83
CCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(C)=C1	REAL300012039619	0	50	0.0	-30.66	360.12	10.30	-20.36
O=C([O-])C1([NH2+]CC2=CC3=CC=NC=C3S2)CCCC2CC21	REAL300012039620	0	39	0.0	-31.04	307.24	8.49	-22.55
O=C([O-])C1([NH2+]CC2=CC3=CC(Br)=CC=C3O2)CCCC2CC21	REAL300012039621	0	40	0.0	-29.08	324.29	9.88	-19.20
CCC1=C2OC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CC2=CC=C1	REAL300012039622	0	46	0.0	-28.49	345.90	10.69	-17.80
O=C([O-])C1([NH2+]CC2=CC=CC(OC3CC3)=C2F)CCCC2CC21	REAL300012039623	0	45	0.0	-41.47	340.91	9.75	-31.72
CCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(C)=C1	REAL300012039624	0	47	0.0	-30.89	338.64	9.50	-21.39
O=C([O-])C1([NH2+]CC2=CC=CC(C3CCCC3)=C2)CCCC2CC21	REAL300012039625	0	50	0.0	-31.26	359.35	11.94	-19.32
O=C([O-])C1([NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)CCCC2CC21	REAL300012039626	0	43	0.0	-30.24	356.88	10.29	-19.95
O=C([O-])C1([NH2+]CC2=CSC(C(F)(F)F)=C2)CCCC2CC21	REAL300012039627	0	37	0.0	-35.48	305.74	8.89	-26.59
O=C([O-])C1([NH2+]CC2=CC=C(C(F)(F)F)O2)CCCC2CC21	REAL300012039628	0	37	0.0	-28.38	297.03	8.10	-20.28
CC(C)OC1=CC(Cl)=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1Cl	REAL300012039629	0	47	0.0	-30.30	372.38	10.58	-19.72
O=C([O-])C1([NH2+]CC2=CC=C(OC3CCOC3)C=C2)CCCC2CC21	REAL300012039630	0	49	0.0	-36.06	364.49	8.29	-27.77
CN(C)C1=CC(F)=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1F	REAL300012039631	0	45	0.0	-29.28	339.35	8.28	-21.00
COC(=O)C1=C2CCCCN2C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039632	0	51	0.0	-38.14	373.52	10.39	-27.75
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC(C(F)(F)F)=C1	REAL300012039633	0	44	0.0	-32.22	346.23	8.93	-23.29
C=CCOC1=C(Cl)C=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039634	0	49	0.0	-32.58	391.47	10.00	-22.58
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC1CC1	REAL300012039635	0	49	0.0	-35.36	367.62	9.50	-25.86
CN1N=C(C(F)(F)F)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039636	0	40	0.0	-35.97	313.36	7.21	-28.76
COCC(C)OC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039637	0	51	0.0	-33.38	376.73	8.95	-24.43
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)CCCC2CC21	REAL300012039638	0	44	0.0	-33.65	342.49	11.35	-22.30
O=C([O-])C1([NH2+]CC2=CC=NN2CCC2=CC=CC=C2)CCCC2CC21	REAL300012039639	0	50	0.0	-30.09	370.68	11.09	-19.00
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1C(C)(C)C	REAL300012039640	0	53	0.0	-32.36	375.79	10.71	-21.65
O=C([O-])C1([NH2+]CC2=CC=CC(CC3CCC3)=C2)CCCC2CC21	REAL300012039641	0	50	0.0	-31.15	366.18	12.24	-18.91
CC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=NC=C1Br	REAL300012039642	0	39	0.0	-26.77	309.93	8.09	-18.68
CC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C(Br)C=C1F	REAL300012039643	0	40	0.0	-31.66	313.66	10.06	-21.60
O=C([O-])C1([NH2+]CC2=C(O)C=CC=C2Br)CCCC2CC21	REAL300012039644	0	38	0.0	-32.72	296.03	6.56	-26.16
CN1C=C(C2=NC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CS2)C=N1	REAL300012039645	0	43	0.0	-30.55	344.63	7.33	-23.22
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1Cl	REAL300012039646	0	41	0.0	-34.93	325.27	8.42	-26.51
O=C([O-])C1([NH2+]CC2=CC=NN2CC2CCC2)CCCC2CC21	REAL300012039647	0	47	0.0	-32.43	342.02	9.15	-23.28
O=C([O-])C1([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)CCCC2CC21	REAL300012039648	0	43	0.0	-29.53	334.44	8.63	-20.90
CN1C=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(Br)=N1	REAL300012039649	0	37	0.0	-26.94	296.00	6.95	-19.99
CC(=O)NC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039650	0	44	0.0	-40.68	335.88	7.47	-33.21
CN1N=CC2=CC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CN=C21	REAL300012039651	0	42	0.0	-39.52	322.95	7.76	-31.76
O=C([O-])C1([NH2+]CC2=NC=C(Br)C=C2F)CCCC2CC21	REAL300012039652	0	36	0.0	-28.86	296.78	7.53	-21.33
COC1=CC(Cl)=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC	REAL300012039653	0	45	0.0	-33.91	341.22	8.41	-25.50
O=C([O-])C1([NH2+]CC2=CC=C(CC(F)(F)F)C=C2)CCCC2CC21	REAL300012039654	0	43	0.0	-34.34	336.10	10.52	-23.82
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039655	0	57	0.0	-35.26	427.64	9.01	-26.25
CN1N=C2CCCCC2=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039656	0	47	0.0	-31.79	341.20	8.58	-23.21
CCOC(=O)C1=C(C)C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C(C)N1	REAL300012039657	0	50	0.0	-30.09	371.41	9.01	-21.08
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)CCCC2CC21	REAL300012039658	0	47	0.0	-36.55	372.70	12.53	-24.02
O=C([O-])C1([NH2+]CC2=CC=C(Br)C(F)=C2F)CCCC2CC21	REAL300012039659	0	37	0.0	-26.92	305.42	9.41	-17.51
O=C([O-])C1([NH2+]CC2=C(Br)SC=C2)CCCC2CC21	REAL300012039660	0	34	0.0	-24.86	278.41	8.22	-16.64
CCOC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C(F)C=C1OC	REAL300012039661	0	48	0.0	-28.99	358.92	8.85	-20.14
O=C([O-])C1([NH2+]CC2=CC=CN=C2Br)CCCC2CC21	REAL300012039662	0	36	0.0	-34.81	281.82	7.47	-27.34
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C(F)C=C1Br	REAL300012039663	0	41	0.0	-27.35	328.27	8.69	-18.66
O=C([O-])C1([NH2+]CC2=CC=CC(Br)=C2Cl)CCCC2CC21	REAL300012039664	0	37	0.0	-35.06	301.89	9.79	-25.27
CCOC1=CC(F)=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039665	0	44	0.0	-32.12	335.77	8.93	-23.19
O=C([O-])C1([NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)CCCC2CC21	REAL300012039666	0	51	0.0	-42.75	371.02	9.74	-33.01
O=C([O-])C1([NH2+]CC2=CC=C(OC(F)F)C=C2F)CCCC2CC21	REAL300012039667	0	41	0.0	-35.56	319.94	8.33	-27.23
CC(C)(C)OC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039668	0	50	0.0	-30.49	360.15	9.72	-20.77
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C(F)C=C1C	REAL300012039669	0	44	0.0	-26.91	327.85	8.78	-18.13
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(C)=C1Br	REAL300012039670	0	43	0.0	-31.16	323.66	10.37	-20.79
CC1=CC=NC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1Br	REAL300012039671	0	39	0.0	-27.01	305.19	7.94	-19.07
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039672	0	54	0.0	-37.94	397.37	9.00	-28.94
CC(C)(C)C1=CSC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=N1	REAL300012039673	1	45	0.0	-32.38	340.56	8.28	-24.10
COCCC1=NC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)S1	REAL300012039674	0	43	0.0	-31.64	336.98	6.52	-25.12
O=C([O-])C1([NH2+]CC2=CC(Br)=CC(F)=C2O)CCCC2CC21	REAL300012039676	1	38	0.0	-31.43	312.37	6.63	-24.80
CN1N=C2CCSCC2=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039677	0	45	0.0	-29.52	334.45	8.23	-21.29
O=C([O-])C1([NH2+]CC2=CC=CC3=C2CCOC3)CCCC2CC21	REAL300012039678	0	45	0.0	-30.01	320.71	8.67	-21.34
O=C([O-])C1([NH2+]CC2=CC=C3OC(=O)OC3=C2)CCCC2CC21	REAL300012039679	0	39	0.0	-36.84	305.74	9.17	-27.67
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(Cl)=C1	REAL300012039680	0	54	0.0	-34.28	413.66	13.54	-20.74
CC1=C(Br)C=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)S1	REAL300012039681	0	37	0.0	-29.85	307.71	9.24	-20.61
O=C([O-])C1([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)CCCC2CC21	REAL300012039682	0	47	0.0	-33.18	366.06	12.66	-20.52
O=C([O-])C1([NH2+]CC2=CC=CC(F)=C2I)CCCC2CC21	REAL300012039683	0	37	0.0	-32.79	296.74	9.81	-22.98
CCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1C	REAL300012039684	0	50	0.0	-32.61	368.05	10.50	-22.11
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1COC1=CC=CC=C1	REAL300012039685	0	55	0.0	-31.08	413.07	11.46	-19.62
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1CN1C=CC=N1	REAL300012039686	0	51	0.0	-36.30	391.96	9.55	-26.75
CC1=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=CC=C1[N+](=O)[O-]	REAL300012039687	0	42	0.0	-39.34	313.82	9.85	-29.49
COC1=CC=C(CN2C=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)N=N2)C=C1	REAL300012039688	0	50	0.0	-32.41	382.78	8.38	-24.03
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(F)=C1OC	REAL300012039689	0	45	0.0	-40.56	343.19	8.07	-32.49
COC(=O)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(F)=C1	REAL300012039690	0	43	0.0	-40.50	335.48	9.42	-31.08
O=C([O-])C1([NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)CCCC2CC21	REAL300012039691	0	47	0.0	-39.35	361.61	9.13	-30.22
O=C([O-])C1([NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)CCCC2CC21	REAL300012039692	0	51	0.0	-34.30	391.01	11.84	-22.46
O=C([O-])C1([NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)CCCC2CC21	REAL300012039693	0	43	0.0	-27.66	356.70	10.05	-17.61
COC1=CC=C(C2=NC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CS2)C=C1	REAL300012039694	0	47	0.0	-36.81	372.82	8.75	-28.06
CC1=C2C=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=NC2=NN1	REAL300012039696	0	42	0.0	-38.31	318.18	7.25	-31.06
CS(=O)(=O)NC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039697	0	45	0.0	-40.99	353.25	5.28	-35.71
O=C([O-])C1([NH2+]CC2=CC=C(OCCN3C=CN=C3)C(Cl)=C2)CCCC2CC21	REAL300012039698	0	51	0.0	-39.88	404.39	12.12	-27.76
O=C([O-])C1([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)CCCC2CC21	REAL300012039699	0	43	0.0	-32.84	331.31	6.97	-25.87
O=C([O-])C1([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)CCCC2CC21	REAL300012039700	0	42	0.0	-31.37	333.44	9.49	-21.88
O=C([O-])C1([NH2+]CC2=CC=C(C(F)(F)F)S2)CCCC2CC21	REAL300012039701	0	37	0.0	-29.82	305.98	9.05	-20.77
O=C([O-])C1([NH2+]CC2=NC3=CC=C(Br)C=C3S2)CCCC2CC21	REAL300012039702	0	39	0.0	-32.19	328.08	8.79	-23.40
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039703	0	47	0.0	-40.05	360.27	11.14	-28.91
O=C([O-])C1([NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)CCCC2CC21	REAL300012039704	0	56	0.0	-32.75	412.20	12.23	-20.52
O=C([O-])C1([NH2+]CC2=CN(C3=CC=CC=C3Br)N=N2)CCCC2CC21	REAL300012039705	0	43	0.0	-30.60	344.14	9.22	-21.38
O=C([O-])C1([NH2+]CC2=CN3C=CC(Br)=CC3=N2)CCCC2CC21	REAL300012039706	0	40	0.0	-28.60	327.05	9.71	-18.89
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039707	0	48	0.0	-35.31	361.16	10.12	-25.19
COCC1=CC=CC=C1C=C(C)C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039708	0	51	0.0	-35.70	377.07	10.13	-25.57
COC1=CC=C(N2C=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=N2)C=C1	REAL300012039709	0	48	0.0	-39.64	363.23	9.24	-30.40
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039710	0	52	0.0	-33.07	395.32	12.09	-20.98
O=C([O-])C1([NH2+]CC2=CC3=CC(Cl)=CN=C3O2)CCCC2CC21	REAL300012039711	0	39	0.0	-29.38	314.54	6.72	-22.66
O=C([O-])C1([NH2+]CC2=CC=NC=C2Br)CCCC2CC21	REAL300012039712	0	36	0.0	-32.56	281.79	7.57	-24.99
CS(=O)(=O)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)S1	REAL300012039713	0	40	0.0	-35.71	328.21	5.43	-30.28
NS(=O)(=O)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(F)=C1	REAL300012039714	0	42	0.0	-34.88	330.73	3.65	-31.23
CC1=C(Br)C=NC=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039715	0	39	0.0	-30.44	302.57	7.99	-22.45
COC1=CC=C(C2=CC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CC3=C2OCO3)C=N1	REAL300012039716	0	53	0.0	-38.27	409.04	7.76	-30.51
O=C([O-])C1([NH2+]CC2=CC=NN2C2CCOCC2)CCCC2CC21	REAL300012039717	0	48	0.0	-33.91	346.46	7.21	-26.70
O=C([O-])C1([NH2+]CC2=CC3=C(C=CNC3=O)O2)CCCC2CC21	REAL300012039718	0	40	0.0	-40.23	307.74	6.23	-34.00
O=C([O-])C1([NH2+]CC2=CN(CC3CCOC3)N=N2)CCCC2CC21	REAL300012039719	0	47	0.0	-32.08	349.59	6.18	-25.90
CC1=CC(C)=C(C=CC[NH2+]C2(C(=O)[O-])CCCC3CC32)C(C)=C1	REAL300012039720	0	50	0.0	-32.51	368.51	11.75	-20.76
O=C([O-])C1([NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)CCCC2CC21	REAL300012039721	0	57	0.0	-35.56	415.13	7.59	-27.97
CC(C)(C)OC(=O)NC(C[NH2+]C1(C(=O)[O-])CCCC2CC21)CC(F)F	REAL300012039722	0	53	0.0	-33.97	388.85	7.47	-26.50
O=C([O-])C1([NH2+]CC2=CN(CC3CCCO3)N=N2)CCCC2CC21	REAL300012039723	0	47	0.0	-31.17	350.13	6.32	-24.85
O=C([O-])C1([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)CCCC2CC21	REAL300012039724	0	42	0.0	-34.84	325.32	9.06	-25.78
CC1=CC(C)=C(C=CC[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1C	REAL300012039725	0	50	0.0	-34.49	362.74	11.78	-22.71
NS(=O)(=O)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039726	0	42	0.0	-39.63	329.30	3.69	-35.94
O=C([O-])C1([NH2+]CC2=NC=CC3=C2CCCC3)CCCC2CC21	REAL300012039727	0	46	0.0	-25.67	323.61	9.30	-16.37
CN1C=CC(C2=NC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CS2)=N1	REAL300012039728	0	43	0.0	-30.62	344.74	7.21	-23.41
CC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1Br	REAL300012039729	0	40	0.0	-30.76	307.73	9.81	-20.95
O=C([O-])C1([NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)CCCC2CC21	REAL300012039730	0	48	0.0	-30.96	373.70	11.55	-19.41
O=C([O-])C1([NH2+]CC2=CC=C3OCCCC3=C2)CCCC2CC21	REAL300012039731	0	45	0.0	-33.54	332.35	9.26	-24.28
CN(C)C(=O)C1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039732	0	47	0.0	-35.12	351.99	8.43	-26.69
O=C([O-])C1([NH2+]CC2=C(C3CC3)NN=C2Cl)CCCC2CC21	REAL300012039733	0	41	0.0	-34.19	325.01	7.58	-26.61
CC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C2CCCCC2=N1	REAL300012039734	0	49	0.0	-30.64	346.53	9.89	-20.75
O=C([O-])C1([NH2+]CC2=CSC(C(F)(F)F)=N2)CCCC2CC21	REAL300012039735	0	36	0.0	-40.63	304.18	6.75	-33.88
O=C([O-])C1([NH2+]CC2=CC=C(C(F)F)C(F)=C2)CCCC2CC21	REAL300012039736	0	40	0.0	-35.34	319.11	9.54	-25.80
COC(=O)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1C	REAL300012039737	0	46	0.0	-36.50	345.99	9.93	-26.57
CC1=C(Cl)C=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1Cl	REAL300012039738	0	40	0.0	-31.98	320.22	10.19	-21.79
CC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C(C)C=C1I	REAL300012039739	0	43	0.0	-29.79	332.71	10.91	-18.88
N#CC1=CC=C(Br)C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039740	0	38	0.0	-33.15	307.63	9.74	-23.41
CC1CC2=CC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CC=C2O1	REAL300012039741	0	45	0.0	-33.86	332.00	9.32	-24.54
O=C([O-])C1([NH2+]CC2=CC=CC3=C2OC(=O)N3)CCCC2CC21	REAL300012039742	0	40	0.0	-46.03	306.88	6.24	-39.79
CSCC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039743	0	44	0.0	-33.08	341.24	10.62	-22.46
O=C([O-])C1([NH2+]CC2=CN(CC3CCC3)N=C2)CCCC2CC21	REAL300012039744	0	47	0.0	-37.76	347.14	9.48	-28.28
CN1N=C2CCOCC2=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039745	0	45	0.0	-31.05	326.45	6.23	-24.82
CN(C)C(=O)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039746	0	47	0.0	-40.17	347.42	8.63	-31.54
CCNC(=O)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039747	0	47	0.0	-41.10	353.08	7.86	-33.24
O=C([O-])C1([NH2+]CC2=CN=C3CCCCCN23)CCCC2CC21	REAL300012039748	0	47	0.0	-35.55	330.48	9.13	-26.42
COC1=CC=C2SC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CC2=C1	REAL300012039749	0	44	0.0	-30.74	342.06	9.56	-21.18
CCN(CC)C(=O)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039750	0	53	0.0	-39.84	387.09	10.47	-29.37
CCN1CCC2=CC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CC=C21	REAL300012039751	0	49	0.0	-31.93	354.42	9.36	-22.57
CCN(C)C(=O)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039752	0	50	0.0	-40.44	369.57	9.62	-30.82
CSC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1Cl	REAL300012039753	0	41	0.0	-32.45	334.91	10.03	-22.42
CC1=NN(C2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C(C)=C2)C=C1	REAL300012039754	0	50	0.0	-36.81	368.99	11.02	-25.79
O=C([O-])C1([NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)CCCC2CC21	REAL300012039755	0	43	0.0	-33.69	346.32	10.61	-23.08
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039756	0	47	0.0	-35.43	362.82	10.96	-24.47
CCC1=CC(Br)=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)S1	REAL300012039757	0	40	0.0	-28.22	328.16	9.96	-18.26
CC1=NN(C2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2)C=C1Cl	REAL300012039758	0	47	0.0	-38.07	372.04	11.02	-27.05
COC(=O)C1=CC2=C(C=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)O2)N1	REAL300012039759	0	44	0.0	-31.50	343.72	7.54	-23.96
COCCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)O1	REAL300012039760	0	45	0.0	-31.00	344.36	7.49	-23.51
O=C([O-])C1([NH2+]CC2=CC(Cl)=CC(Br)=C2)CCCC2CC21	REAL300012039761	0	37	0.0	-31.56	316.03	9.76	-21.80
COC1=CC=CC(C2=CSC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=N2)=C1	REAL300012039762	0	47	0.0	-35.07	367.69	8.79	-26.28
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039763	0	57	0.0	-35.79	423.02	9.19	-26.60
COC(=O)C1=C2COCCN2C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039764	0	49	0.0	-38.87	365.52	8.03	-30.84
O=C([O-])C1([NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)CCCC2CC21	REAL300012039765	0	54	0.0	-42.20	389.92	10.67	-31.53
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039766	0	47	0.0	-35.49	343.23	11.64	-23.85
O=C([O-])C1([NH2+]CC2=CC=C(C(F)(F)F)C(Cl)=C2Cl)CCCC2CC21	REAL300012039767	0	40	0.0	-37.94	333.15	10.57	-27.37
O=C([O-])C1([NH2+]CC2=CN=C(C3CCOCC3)O2)CCCC2CC21	REAL300012039768	0	47	0.0	-31.32	347.40	5.19	-26.13
O=C([O-])C1([NH2+]CC2=CC=C(F)C(Br)=C2F)CCCC2CC21	REAL300012039769	0	37	0.0	-27.01	304.83	9.39	-17.62
CC1=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C(C(C)(C)C)O1	REAL300012039770	0	49	0.0	-29.11	359.16	10.30	-18.81
O=C([O-])C1([NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)CCCC2CC21	REAL300012039771	0	46	0.0	-30.53	353.27	9.08	-21.45
CC(C)(C)OC(=O)N1CCC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)CC1	REAL300012039772	0	57	0.0	-39.09	398.89	9.78	-29.31
CC1=CC(Br)=CN=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039773	0	39	0.0	-25.30	304.86	8.01	-17.29
O=C([O-])C1([NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)CCCC2CC21	REAL300012039774	0	43	0.0	-35.92	353.62	6.48	-29.44
CC1OC2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2C1C	REAL300012039775	0	48	0.0	-33.66	348.51	9.85	-23.81
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OC(F)F	REAL300012039776	0	44	0.0	-37.33	339.07	8.89	-28.44
CC1=NC(Cl)=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1Br	REAL300012039777	0	39	0.0	-32.48	317.62	8.51	-23.97
CC1=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)NN=C1C(F)(F)F	REAL300012039778	0	40	0.0	-32.56	312.81	6.69	-25.87
O=C([O-])C1([NH2+]CC2=CC(C(F)(F)F)=NN2)CCCC2CC21	REAL300012039779	0	37	0.0	-33.74	296.39	6.10	-27.64
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2)O1	REAL300012039780	0	54	0.0	-38.35	424.01	10.92	-27.43
CC1=C(Br)C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C(C)S1	REAL300012039781	0	40	0.0	-23.56	315.27	9.42	-14.14
O=C([O-])C1([NH2+]CC2=CC=C(CC3CC3)S2)CCCC2CC21	REAL300012039782	0	44	0.0	-28.31	340.32	10.99	-17.32
O=C([O-])C1([NH2+]CC2=CC=C(OC3CC3)C=C2)CCCC2CC21	REAL300012039783	0	45	0.0	-32.59	335.67	9.70	-22.89
O=C([O-])C1([NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)CCCC2CC21	REAL300012039784	0	41	0.0	-34.66	326.68	8.55	-26.11
O=C([O-])C1([NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)CCCC2CC21	REAL300012039785	0	43	0.0	-31.74	350.94	10.44	-21.30
CC1=NC=CN1C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(C)=C1	REAL300012039786	0	50	0.0	-35.60	368.38	11.69	-23.91
CC1=C(C)N(C2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2)C=N1	REAL300012039787	0	50	0.0	-37.95	372.85	12.34	-25.61
CNC(=O)C1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039788	0	44	0.0	-34.26	336.22	6.84	-27.42
O=C([O-])C1([NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)CCCC2CC21	REAL300012039789	0	51	0.0	-30.70	373.61	12.66	-18.04
CCNC(=O)C1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039791	0	47	0.0	-33.70	357.70	7.68	-26.02
CC1=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)OC2=CC=C(F)C=C12	REAL300012039792	0	43	0.0	-28.43	329.83	9.96	-18.47
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039793	0	47	0.0	-35.20	353.74	9.82	-25.38
CC(C)(C)C1=CN=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039794	0	48	0.0	-33.24	346.52	9.24	-24.00
O=C([O-])C1([NH2+]CC2=CC3=C(Br)C=CC=C3S2)CCCC2CC21	REAL300012039795	0	40	0.0	-30.55	332.95	10.85	-19.70
O=C([O-])C1([NH2+]CC2=NN(CC(F)(F)F)C=C2)CCCC2CC21	REAL300012039796	0	40	0.0	-32.38	317.41	7.81	-24.57
O=C([O-])C1([NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)CCCC2CC21	REAL300012039797	0	47	0.0	-28.05	341.99	10.65	-17.40
CN1C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=NC2=C1CCCC2	REAL300012039798	0	47	0.0	-37.39	334.45	9.28	-28.11
O=C([O-])C1([NH2+]CC2=CC=CC(C(F)F)=C2F)CCCC2CC21	REAL300012039799	0	40	0.0	-41.79	313.71	9.67	-32.12
O=C([O-])C1([NH2+]CC2=CC=CC3=C2COCC3)CCCC2CC21	REAL300012039800	0	45	0.0	-32.52	320.70	8.71	-23.81
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039801	0	50	0.0	-39.04	388.43	11.42	-27.62
CCOC1=CC=C(Cl)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039802	0	44	0.0	-31.07	341.93	9.53	-21.54
O=C([O-])C1([NH2+]CC2=NC3=C(COCC3)S2)CCCC2CC21	REAL300012039803	1	41	0.0	-33.47	314.54	6.07	-27.40
O=C([O-])C1([NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)CCCC2CC21	REAL300012039804	0	39	0.0	-39.11	309.74	9.47	-29.64
O=C([O-])C1([NH2+]CC2=CN(C3CCCCC3)N=C2)CCCC2CC21	REAL300012039805	0	50	0.0	-30.70	362.56	9.67	-21.03
O=C([O-])C1([NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)CCCC2CC21	REAL300012039806	0	44	0.0	-33.10	348.99	10.22	-22.88
CN(CCO)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=N1	REAL300012039807	0	48	0.0	-33.33	354.69	6.31	-27.02
COC1=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=CC=C1C(C)(C)C	REAL300012039808	0	53	0.0	-29.39	368.68	10.48	-18.91
CN1C=C(Br)N=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039809	0	37	0.0	-26.67	297.34	7.61	-19.06
COC1=CC(C)=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1O	REAL300012039810	0	45	0.0	-32.11	327.56	6.40	-25.71
O=C([O-])C1([NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)CCCC2CC21	REAL300012039811	0	43	0.0	-27.39	331.38	7.87	-19.52
CN1C(=O)C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC2=CC=CC=C21	REAL300012039812	0	46	0.0	-27.52	338.88	9.51	-18.01
O=C([O-])C1([NH2+]CC=CC2=CC=C3OCOC3=C2)CCCC2CC21	REAL300012039813	0	44	0.0	-40.27	332.23	8.69	-31.58
O=C([O-])C1([NH2+]CC2=CC=C(CC3CCC3)C=C2)CCCC2CC21	REAL300012039814	0	50	0.0	-31.17	366.19	12.25	-18.92
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039815	0	47	0.0	-34.70	371.31	9.50	-25.20
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039816	0	54	0.0	-37.00	401.59	8.83	-28.17
O=C([O-])C1([NH2+]CC2=CC=NN2C2CC2(F)F)CCCC2CC21	REAL300012039817	0	41	0.0	-37.38	316.87	8.22	-29.16
CC(F)(F)C1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039818	0	43	0.0	-31.34	332.95	10.09	-21.25
O=C([O-])C1([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)CCCC2CC21	REAL300012039819	0	43	0.0	-36.19	338.05	9.52	-26.67
CC(C)(C#N)C1=NC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)S1	REAL300012039820	0	43	0.0	-30.41	341.79	8.08	-22.33
O=C([O-])C1([NH2+]CC2=CC=C(C3=CSC=C3)C=C2)CCCC2CC21	REAL300012039821	0	44	0.0	-32.92	340.69	11.16	-21.76
O=C([O-])C1([NH2+]CC2=CC=C(Cl)C(Br)=C2F)CCCC2CC21	REAL300012039822	0	37	0.0	-26.54	313.96	9.81	-16.73
O=C([O-])C1([NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CCCC2CC21	REAL300012039823	0	48	0.0	-35.33	381.64	12.17	-23.16
COC1=CC=CC(OC2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2)=C1	REAL300012039824	0	52	0.0	-36.78	397.44	10.79	-25.99
CCN1CCCC2=CC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=CC=C21	REAL300012039825	0	52	0.0	-31.49	367.86	9.77	-21.72
CN1N=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1Br	REAL300012039826	0	37	0.0	-30.67	297.88	6.95	-23.72
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039827	0	52	0.0	-35.87	394.36	11.53	-24.34
O=C([O-])C1([NH2+]CC2=CC=CC(SC(F)(F)F)=C2)CCCC2CC21	REAL300012039828	0	41	0.0	-32.52	336.14	10.02	-22.50
O=C([O-])C1([NH2+]CC2=CC=CC(OCC3=CC=C(Cl)C=C3)=C2)CCCC2CC21	REAL300012039829	0	51	0.0	-35.77	403.13	12.53	-23.24
O=C([O-])C1([NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)CCCC2CC21	REAL300012039830	0	50	0.0	-35.05	371.84	9.30	-25.75
O=C([O-])C1([NH2+]CC2=CC=C(Br)C=C2OC(F)F)CCCC2CC21	REAL300012039831	0	41	0.0	-34.15	334.40	9.00	-25.15
O=C([O-])C1([NH2+]CC2=CC=C3CCOCC3=C2)CCCC2CC21	REAL300012039832	0	45	0.0	-32.41	328.83	8.82	-23.59
CC1=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)SC2=CC(F)=CC=C12	REAL300012039833	0	43	0.0	-27.84	334.30	10.84	-17.00
O=C([O-])C1([NH2+]CC2=CC(C3=CC=NC=C3)=NN2)CCCC2CC21	REAL300012039834	0	43	0.0	-36.70	329.74	6.90	-29.80
O=C([O-])C1([NH2+]CC2=CC=CC(OCC3CCC3)=C2)CCCC2CC21	REAL300012039835	0	51	0.0	-30.74	379.34	10.92	-19.82
CC(F)(F)C1=CC=CC=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039836	0	43	0.0	-34.07	311.73	10.03	-24.04
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OCCO	REAL300012039837	0	49	0.0	-38.16	371.71	5.60	-32.56
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1OCCO	REAL300012039838	0	49	0.0	-37.65	371.71	5.60	-32.05
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC=C1OCC1CCCO1	REAL300012039839	0	56	0.0	-36.14	412.80	9.36	-26.78
COC1=CSC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1OC	REAL300012039840	0	42	0.0	-32.67	324.32	6.89	-25.78
O=C([O-])C1([NH2+]CC2=CC=C(C3=CN=C(C(F)F)S3)C=C2)CCCC2CC21	REAL300012039841	0	46	0.0	-36.36	372.45	10.47	-25.89
CS(=O)(=O)C1=COC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039842	0	40	0.0	-42.96	322.35	4.23	-38.73
O=C([O-])C1([NH2+]CC2=CC=C(C(F)(F)F)C=C2F)CCCC2CC21	REAL300012039843	0	40	0.0	-36.71	319.42	9.76	-26.95
CC(C)OC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1F	REAL300012039844	0	47	0.0	-33.41	355.13	9.49	-23.92
O=C([O-])C1([NH2+]CC2=CC=C(F)C(Cl)=C2F)CCCC2CC21	REAL300012039845	0	37	0.0	-27.07	300.57	9.30	-17.77
O=C([O-])C1([NH2+]CC2=C(F)C3=CC=CC=C3C=C2)CCCC2CC21	REAL300012039846	0	43	0.0	-35.80	325.79	11.00	-24.80
CS(=O)(=O)C1=CSC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039847	0	40	0.0	-37.64	327.36	5.35	-32.29
CC1=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=NN1C1CCC1	REAL300012039848	0	47	0.0	-30.54	342.80	9.21	-21.33
O=C([O-])C1([NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)CCCC2CC21	REAL300012039849	0	44	0.0	-34.03	350.68	10.47	-23.56
CC1=NN(C2CCCC2)C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039850	0	50	0.0	-32.13	358.96	9.68	-22.45
O=C([O-])C1([NH2+]CC2=C(Br)C=C(C(F)(F)F)S2)CCCC2CC21	REAL300012039851	0	37	0.0	-28.92	325.44	9.58	-19.34
O=C([O-])C1([NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)CCCC2CC21	REAL300012039852	0	44	0.0	-34.62	340.36	10.02	-24.60
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039853	0	46	0.0	-28.22	350.03	9.06	-19.16
O=C([O-])C1([NH2+]CC2=NN(C3CC3(F)F)C=C2)CCCC2CC21	REAL300012039854	0	41	0.0	-30.69	321.04	8.18	-22.51
CC1=NN(C2CCCCC2)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039855	0	53	0.0	-33.17	379.40	10.37	-22.80
O=C([O-])C1([NH2+]CC2=CN(C3CCOCC3)N=C2)CCCC2CC21	REAL300012039856	0	48	0.0	-33.14	350.54	7.39	-25.75
CC1=NN(C2CCOCC2)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039857	0	51	0.0	-34.22	370.96	7.91	-26.31
O=C([O-])C1([NH2+]CC2=CC(Br)=CC3=CC=CN=C32)CCCC2CC21	REAL300012039858	0	42	0.0	-32.28	336.30	9.85	-22.43
O=C([O-])C1([NH2+]CC2=NN(C3CCCC3)C=C2)CCCC2CC21	REAL300012039859	0	47	0.0	-27.40	340.91	9.09	-18.31
NS(=O)(=O)C1=CSC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039860	0	39	0.0	-37.69	320.94	2.74	-34.95
O=C([O-])C1([NH2+]CC2=NC=C(Cl)C=C2Cl)CCCC2CC21	REAL300012039861	0	36	0.0	-26.47	300.82	7.81	-18.66
O=C([O-])C1([NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)CCCC2CC21	REAL300012039862	0	52	0.0	-42.90	379.98	8.21	-34.69
CC1=NN(C2CCCC2)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039863	0	50	0.0	-33.46	360.38	9.77	-23.69
CC1=CC(Br)=C(F)C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039864	0	40	0.0	-25.67	320.38	10.01	-15.66
O=C([O-])C1([NH2+]CC2=CC=C(Br)C(Cl)=C2F)CCCC2CC21	REAL300012039865	0	37	0.0	-26.49	314.11	9.82	-16.67
COC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1Br	REAL300012039866	0	41	0.0	-33.65	318.17	8.59	-25.06
O=C([O-])C1([NH2+]CC2=CC=C(Cl)C(F)=C2F)CCCC2CC21	REAL300012039867	0	37	0.0	-26.99	301.00	9.31	-17.68
CN1C=C(C2=CC=CC(C[NH2+]C3(C(=O)[O-])CCCC4CC43)=C2)C=N1	REAL300012039868	0	47	0.0	-35.95	359.86	9.85	-26.10
COC1=CC(F)=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1Br	REAL300012039869	0	41	0.0	-29.52	328.40	8.70	-20.82
O=C([O-])C1([NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)CCCC2CC21	REAL300012039870	0	47	0.0	-41.72	364.40	11.04	-30.68
CC1=CC=C(Br)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039871	0	40	0.0	-28.20	308.60	9.89	-18.31
COC1=C(C#N)C=CC=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039872	0	42	0.0	-41.47	319.44	8.62	-32.85
COC1=NC2=CC=C(C[NH2+]C3(C(=O)[O-])CCCC4CC43)C=C2S1	REAL300012039873	0	43	0.0	-34.80	339.38	6.55	-28.25
O=C([O-])C1([NH2+]CC2=CC=NC(Br)=C2)CCCC2CC21	REAL300012039874	0	36	0.0	-37.79	296.03	7.29	-30.50
O=C([O-])C1([NH2+]CC2=CC(F)=CC(Cl)=C2Cl)CCCC2CC21	REAL300012039875	0	37	0.0	-31.38	308.98	9.71	-21.67
CC(C)(C)COC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039876	0	53	0.0	-30.52	391.53	10.90	-19.62
O=C([O-])C1([NH2+]CC2=CC(Br)=CC(Cl)=C2F)CCCC2CC21	REAL300012039877	0	37	0.0	-33.73	318.18	9.87	-23.86
COC1=CC(Cl)=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039878	0	41	0.0	-31.80	321.35	8.54	-23.26
O=C([O-])C1([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)CCCC2CC21	REAL300012039879	0	40	0.0	-38.49	326.24	10.09	-28.40
COC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CC(F)=C1F	REAL300012039880	0	41	0.0	-34.60	320.02	8.07	-26.53
COC(=O)C1=C(C)NC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1C	REAL300012039881	0	47	0.0	-37.50	357.77	8.49	-29.01
O=C([O-])C1([NH2+]CC2=C(O)C=CC(F)=C2Br)CCCC2CC21	REAL300012039882	0	38	0.0	-36.10	304.47	6.48	-29.62
O=C([O-])C1([NH2+]CC2=CC=C(C3CCCCC3)C=C2)CCCC2CC21	REAL300012039883	0	53	0.0	-30.97	376.98	12.54	-18.43
COC1=CC=CC=C1C=CC[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039884	0	45	0.0	-37.56	334.54	9.39	-28.17
CC1=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)SC(Br)=C1	REAL300012039885	0	37	0.0	-27.04	304.62	9.14	-17.90
CC1=NN(C2CCC2)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039886	0	47	0.0	-33.93	342.84	9.10	-24.83
CC1=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=NN1CC(F)F	REAL300012039887	0	43	0.0	-33.65	329.64	8.14	-25.51
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)CCCC2CC21	REAL300012039888	0	45	0.0	-35.10	344.31	9.08	-26.02
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039889	0	49	0.0	-25.56	372.60	10.81	-14.75
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039890	0	44	0.0	-37.96	336.96	7.95	-30.01
O=C([O-])C1([NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)CCCC2CC21	REAL300012039891	0	50	0.0	-33.08	377.92	13.19	-19.89
O=C([O-])C1([NH2+]CC2=CC(Cl)=CC(Cl)=C2Br)CCCC2CC21	REAL300012039892	0	37	0.0	-30.03	320.98	10.18	-19.85
CCCCC(=O)NC1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039893	0	53	0.0	-40.44	394.97	10.01	-30.43
CCN(C)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C(C)=C1	REAL300012039894	0	51	0.0	-29.37	360.57	10.63	-18.74
O=C([O-])C1([NH2+]CC2=CC(Cl)=CN=C2Br)CCCC2CC21	REAL300012039895	0	36	0.0	-31.45	298.70	7.96	-23.49
O=C([O-])C1([NH2+]CC2=C(Cl)C(Cl)=CS2)CCCC2CC21	REAL300012039896	0	34	0.0	-31.77	296.59	8.77	-23.00
O=C([O-])C1([NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)CCCC2CC21	REAL300012039897	0	41	0.0	-33.65	341.71	8.91	-24.74
O=C([O-])C1([NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)CCCC2CC21	REAL300012039898	0	47	0.0	-36.12	367.22	11.45	-24.67
O=C([O-])C1([NH2+]CC2=CC=C3SC=CC3=C2)CCCC2CC21	REAL300012039899	0	40	0.0	-33.91	311.89	10.11	-23.80
O=C([O-])C1([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)CCCC2CC21	REAL300012039900	0	46	0.0	-35.55	344.54	10.40	-25.15
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039901	0	59	0.0	-31.65	438.62	13.47	-18.18
O=C([O-])C1([NH2+]CC2=CC=C(C(F)(F)F)C=C2Br)CCCC2CC21	REAL300012039902	0	40	0.0	-32.85	328.16	10.22	-22.63
CCC(C)C1=CC=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012039903	0	49	0.0	-31.05	353.79	11.32	-19.73
O=C([O-])C1([NH2+]CC2=CC3=NC=C(Br)C=C3O2)CCCC2CC21	REAL300012039904	0	39	0.0	-30.55	319.07	8.05	-22.50
O=C([O-])C1([NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)CCCC2CC21	REAL300012039905	0	42	0.0	-36.89	340.18	9.10	-27.79
O=C([O-])C1([NH2+]CC2=CC3=C(CCOC3)N=C2Cl)CCCC2CC21	REAL300012039906	0	44	0.0	-25.98	330.94	7.21	-18.77
O=C([O-])C1([NH2+]CC2=CC3=CC(Br)=CC=C3S2)CCCC2CC21	REAL300012039907	0	40	0.0	-29.68	333.77	10.89	-18.79
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039908	0	50	0.0	-40.22	372.71	11.23	-28.99
CC(F)(F)C1=CC=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=N1	REAL300012039909	0	42	0.0	-29.28	327.86	8.54	-20.74
O=C([O-])C1([NH2+]CC2=CC(Br)=CC(F)=C2F)CCCC2CC21	REAL300012039910	0	37	0.0	-34.80	308.29	9.44	-25.36
O=C([O-])C1([NH2+]CC2=CC(Cl)=C(Br)C=C2F)CCCC2CC21	REAL300012039911	0	37	0.0	-33.10	316.82	9.83	-23.27
O=C([O-])C1([NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)CCCC2CC21	REAL300012039912	0	39	0.0	-38.01	324.63	10.02	-27.99
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039913	0	44	0.0	-34.95	334.92	10.63	-24.32
COC1=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=CC(Br)=C1F	REAL300012039914	0	41	0.0	-34.67	331.59	8.80	-25.87
O=C([O-])C1([NH2+]CC2=CC=CC(C(F)(F)F)=C2F)CCCC2CC21	REAL300012039915	0	40	0.0	-40.19	318.61	9.76	-30.43
O=C([O-])C1([NH2+]CC2=CC=C(N3C=CN=N3)C=C2)CCCC2CC21	REAL300012039916	0	43	0.0	-43.50	327.49	8.64	-34.86
CC1=C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)C=CC2=CC=CC=C21	REAL300012039917	0	46	0.0	-30.20	329.40	11.40	-18.80
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039918	0	55	0.0	-33.15	399.79	10.38	-22.77
O=C([O-])C1([NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)CCCC2CC21	REAL300012039919	0	43	0.0	-35.64	342.45	11.40	-24.24
COC1=C2C=CNC2=CC=C1C[NH2+]C1(C(=O)[O-])CCCC2CC21	REAL300012039920	0	45	0.0	-35.73	333.20	8.33	-27.40
O=C([O-])C1([NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)CCCC2CC21	REAL300012039921	0	50	0.0	-32.88	362.72	5.74	-27.14
CC1=CC(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=CN=C1N1C=CC=N1	REAL300012039922	0	46	0.0	-35.62	349.98	9.93	-25.69
COC(=O)C1=CN(C)C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1	REAL300012039923	0	44	0.0	-43.73	335.11	8.82	-34.91
COC1=CC=C(Br)C(C[NH2+]C2(C(=O)[O-])CCCC3CC32)=C1O	REAL300012039924	0	42	0.0	-28.15	326.74	6.40	-21.75
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(C)=C1	REAL300012039925	0	52	0.0	-33.33	402.45	14.22	-19.11
CC1=CC=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012039926	0	52	0.0	-33.06	402.48	14.22	-18.84
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=CN=C2C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039927	0	51	0.0	-39.05	408.47	13.36	-25.69
O=C([O-])C[C@H]([NH2+]CC1CC2C=CC1C2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039928	0	51	0.0	-34.58	384.39	13.48	-21.10
O=C([O-])C[C@H]([NH2+]CC1CCCCC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039929	0	52	0.0	-33.46	388.36	13.30	-20.16
CC(C)(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300012039930	0	58	0.0	-48.60	440.05	15.02	-33.58
CC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1C	REAL300012039931	0	52	0.0	-32.70	399.14	14.15	-18.55
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1C	REAL300012039932	0	52	0.0	-48.56	402.26	13.90	-34.66
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(Cl)=C1	REAL300012039933	0	50	0.0	-37.85	409.25	12.69	-25.16
N#CC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012039934	0	47	0.0	-43.84	388.01	13.33	-30.51
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O=C([O-])C[C@H]([NH2+]CC1=CC=C(N2C=CC=N2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039939	0	53	0.0	-42.64	425.70	14.20	-28.44
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CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012039945	0	53	0.0	-37.55	418.52	13.17	-24.38
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O=C([O-])C[C@H]([NH2+]CC1=CC(F)=C(F)C(F)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039947	0	46	0.0	-60.21	382.85	12.88	-47.33
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CCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012039953	0	56	0.0	-36.58	440.20	14.02	-22.56
CC(C)OC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012039954	0	56	0.0	-37.45	436.45	13.81	-23.64
CC(C)C1=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CS1	REAL300012039955	1	51	0.0	-47.89	411.62	11.73	-36.16
CC(C)(C)C1=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CS1	REAL300012039956	1	54	0.0	-47.55	430.56	12.24	-35.31
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)OC=C1	REAL300012039957	0	46	0.0	-48.31	365.15	11.47	-36.84
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CN=C1Cl	REAL300012039958	0	48	0.0	-41.00	397.85	12.22	-28.78
O=C([O-])C[C@H]([NH2+]CC=CC1=CC=C(Cl)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039959	0	50	0.0	-54.33	411.62	14.53	-39.80
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CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)N=C1	REAL300012039961	0	48	0.0	-32.01	383.76	11.82	-20.19
O=C([O-])C[C@H]([NH2+]CC=CC1=CC=C(F)C=C1F)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039962	0	50	0.0	-56.74	406.81	14.11	-42.63
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O=C([O-])C[C@H]([NH2+]CC1=C(Cl)SC=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039964	0	43	0.0	-30.73	371.10	12.47	-18.26
O=C([O-])C[C@H]([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039965	0	50	0.0	-54.60	401.89	12.71	-41.89
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039966	0	50	0.0	-39.78	405.41	12.96	-26.82
CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300012039967	0	52	0.0	-50.36	412.88	10.29	-40.07
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC2=CC=CN=C12	REAL300012039968	0	54	0.0	-40.54	428.58	14.19	-26.35
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O=C([O-])C[C@H]([NH2+]CC1=CN=C2C=CSC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039970	0	48	0.0	-54.79	395.72	12.18	-42.61
CCCC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012039971	0	55	0.0	-33.82	431.73	15.20	-18.62
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1C#N	REAL300012039972	0	51	0.0	-61.84	413.56	12.41	-49.43
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)N=C1	REAL300012039973	0	52	0.0	-33.45	413.75	11.36	-22.09
C=CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012039974	0	54	0.0	-37.80	431.42	13.76	-24.04
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CC1CCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300012039976	0	55	0.0	-49.89	405.52	13.65	-36.24
CC(CCC1=CC=CC=C1)C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039977	0	58	0.0	-35.88	446.06	15.83	-20.05
CCC1CCCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300012039978	0	58	0.0	-32.25	419.42	14.26	-17.99
CC1=C(C)C=C2OC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)=CC2=C1	REAL300012039979	0	55	0.0	-51.54	430.04	14.43	-37.11
CCCC1CCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300012039980	0	61	0.0	-33.88	449.10	15.34	-18.54
CC1CCCCC1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039981	0	55	0.0	-33.66	398.95	13.55	-20.11
O=C([O-])C[C@H]([NH2+]CC1=CC=C(N2C=CN=C2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039982	0	53	0.0	-41.80	423.30	15.37	-26.43
COC1=CC=C(C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039983	0	53	0.0	-34.20	416.55	12.98	-21.22
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1F	REAL300012039984	0	50	0.0	-38.13	403.08	12.37	-25.76
CC(C)C1CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CCO1	REAL300012039985	0	59	0.0	-36.18	431.38	12.79	-23.39
CC1(C)CCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300012039986	0	58	0.0	-50.22	418.66	13.93	-36.29
CCSC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012039987	0	53	0.0	-37.58	428.84	14.80	-22.78
O=C([O-])C[C@H]([NH2+]CC1=C(O)C=CC(Cl)=C1F)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039988	1	47	0.0	-48.58	395.02	10.43	-38.15
CCN1N=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C2=CC=CC=C21	REAL300012039989	0	55	0.0	-49.12	435.25	13.48	-35.64
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300012039990	0	56	0.0	-35.65	440.20	14.02	-21.63
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=CC=C2O1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039991	0	49	0.0	-51.69	391.74	13.23	-38.46
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)O1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039992	0	53	0.0	-50.77	423.75	14.59	-36.18
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1[N+](=O)[O-]	REAL300012039993	0	51	0.0	-39.47	411.14	14.21	-25.26
CC(C)OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300012039994	0	56	0.0	-35.67	436.66	13.83	-21.84
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1F	REAL300012039995	0	49	0.0	-37.29	394.06	13.69	-23.60
O=C([O-])C[C@H]([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039996	0	50	0.0	-49.50	395.22	12.70	-36.80
CC(C)CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300012039997	0	58	0.0	-33.95	448.54	15.67	-18.28
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=CC(Cl)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039998	0	46	0.0	-37.18	390.49	13.57	-23.61
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012039999	0	50	0.0	-38.80	406.60	12.57	-26.23
O=C([O-])C[C@H]([NH2+]CC1=CC=C(Cl)C=C1F)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040000	0	46	0.0	-39.36	389.32	13.51	-25.85
O=C([O-])C[C@H]([NH2+]CC1=CC(Cl)=CC=C1F)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040001	0	46	0.0	-36.28	389.31	13.50	-22.78
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O=C([O-])C[C@H]([NH2+]CC1=CC=CC(Cl)=C1F)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040003	0	46	0.0	-49.89	385.25	13.24	-36.65
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(F)=C1F)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040004	0	46	0.0	-50.93	375.36	12.80	-38.13
CN1C2=CC=CC=C2N=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040005	0	52	0.0	-52.48	410.75	13.07	-39.41
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=N1	REAL300012040006	0	49	0.0	-54.59	390.89	9.39	-45.20
O=C([O-])C[C@H]([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040007	0	51	0.0	-37.61	403.23	12.82	-24.79
O=C([O-])C[C@H]([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040008	0	50	0.0	-47.71	395.04	12.72	-34.99
CC1=NC(C)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300012040009	0	48	0.0	-35.40	393.16	11.41	-23.99
CNC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300012040010	0	53	0.0	-41.74	423.82	11.27	-30.47
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=CC=C2C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040011	0	52	0.0	-36.88	413.27	15.20	-21.68
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC(OC)=C1	REAL300012040012	0	54	0.0	-50.90	422.86	11.31	-39.59
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=CC=C2NC1=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040014	0	52	0.0	-53.73	414.19	11.75	-41.98
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CN1C=NC2=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)=CC=C21	REAL300012040017	0	52	0.0	-42.68	415.73	14.34	-28.34
O=C([O-])C[C@H]([NH2+]CC1=COC(C2=CC=CC=C2)=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040018	1	52	0.0	-51.90	420.52	11.13	-40.77
CC1=CC=C(F)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040019	0	49	0.0	-31.33	393.25	13.66	-17.67
CC1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040020	0	49	0.0	-33.82	387.47	13.62	-20.20
CC1=NC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040021	0	48	0.0	-37.05	377.94	11.74	-25.31
CC1(C)CCCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300012040022	0	58	0.0	-33.87	422.51	14.20	-19.67
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CC(C)CN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=N1	REAL300012040162	0	55	0.0	-36.31	432.85	13.15	-23.16
CCC1=CN=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300012040163	1	48	0.0	-47.03	392.04	11.42	-35.61
CC1=NN(C(C)C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040164	0	55	0.0	-37.60	430.00	12.76	-24.84
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CC(C)(C)C1=CN=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300012040173	1	54	0.0	-46.58	430.19	12.50	-34.08
CSCC1=CN=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300012040174	1	49	0.0	-49.16	415.27	11.86	-37.30
CCN1N=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300012040175	1	51	0.0	-49.78	402.64	10.30	-39.48
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(C2CC2)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040176	0	53	0.0	-33.96	416.56	15.09	-18.87
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CC(C)CN1N=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040179	0	55	0.0	-37.66	429.06	12.93	-24.73
COC(=O)C1=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CN1	REAL300012040180	0	53	0.0	-43.38	425.64	11.95	-31.43
CC(C)(C#N)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300012040181	0	56	0.0	-40.69	443.96	14.94	-25.75
O=C([O-])C[C@H]([NH2+]CC1=NN2CCCCC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040182	1	53	0.0	-48.36	408.45	12.04	-36.32
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CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(Cl)=C1	REAL300012040184	0	49	0.0	-35.41	401.18	14.07	-21.34
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COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(F)=C1	REAL300012040186	0	50	0.0	-40.18	402.07	12.28	-27.90
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O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040188	0	48	0.0	-54.00	395.98	12.45	-41.55
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CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(C)=C1	REAL300012040193	0	56	0.0	-35.11	433.47	13.83	-21.28
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COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1Cl	REAL300012040204	0	50	0.0	-38.70	412.88	12.84	-25.86
O=C([O-])C[C@H]([NH2+]CC1=CC=NN1CC1CCC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040205	0	56	0.0	-37.65	436.96	13.50	-24.15
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(F)=C1	REAL300012040206	0	49	0.0	-37.48	394.00	13.66	-23.82
CC(=O)NC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040207	0	53	0.0	-40.96	423.27	11.88	-29.08
CN1N=CC2=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)=CN=C21	REAL300012040208	0	51	0.0	-44.02	411.65	12.12	-31.90
CN1N=C2CCCCC2=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040209	0	56	0.0	-51.65	427.70	12.70	-38.95
CC1=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CS1	REAL300012040210	0	49	0.0	-32.93	392.48	13.26	-19.67
O=C([O-])C[C@H]([NH2+]CC1=CN=C(Cl)C(F)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040211	0	45	0.0	-41.94	384.94	11.68	-30.26
CCOC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040212	0	53	0.0	-36.62	425.11	13.28	-23.34
CC1=C(Cl)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040213	0	49	0.0	-35.91	396.91	13.98	-21.93
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C(F)C=C1C	REAL300012040214	0	53	0.0	-32.62	421.44	13.02	-19.60
CC(C)(C)C1=CSC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300012040215	1	54	0.0	-47.01	429.08	12.42	-34.59
COCCC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300012040216	0	52	0.0	-36.93	429.20	10.78	-26.15
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=CC(F)=C1O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040217	1	47	0.0	-40.47	389.27	10.30	-30.17
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040218	0	54	0.0	-48.81	410.72	12.67	-36.14
O=C([O-])C[C@H]([NH2+]CC1=CC=C2OC(=O)OC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040219	0	48	0.0	-63.14	391.61	13.25	-49.89
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040220	0	51	0.0	-39.24	403.27	13.20	-26.04
O=C([O-])C[C@H]([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040221	0	50	0.0	-56.28	399.89	11.12	-45.16
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=CC=C1[N+](=O)[O-]	REAL300012040222	0	51	0.0	-44.78	404.71	14.13	-30.65
CC1=COC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040223	0	46	0.0	-48.91	366.14	11.52	-37.39
O=C([O-])C[C@H]([NH2+]CC1=CC=C(Cl)C=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040224	0	45	0.0	-33.22	379.07	11.66	-21.56
O=C([O-])C[C@H]([NH2+]CC1=CN(CCF)N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040226	0	49	0.0	-40.87	398.13	11.75	-29.12
CCCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300012040228	0	55	0.0	-48.72	428.33	14.94	-33.78
CC1=C2C=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)C=NC2=NN1	REAL300012040229	0	51	0.0	-45.12	410.22	11.47	-33.65
O=C([O-])C[C@H]([NH2+]CC1=NC=CS1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040230	1	42	0.0	-47.44	348.28	9.84	-37.60
CN1N=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C2=CC=CC=C21	REAL300012040231	0	52	0.0	-49.43	413.44	12.62	-36.81
O=C([O-])C[C@H]([NH2+]CC1=C2C=CC=CC2=NN1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040232	0	49	0.0	-39.71	394.23	11.61	-28.10
CCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300012040233	0	49	0.0	-47.81	397.44	13.39	-34.42
CCC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300012040234	0	48	0.0	-36.18	395.30	11.66	-24.52
COC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)SC=C1	REAL300012040235	0	47	0.0	-33.05	387.24	11.36	-21.69
O=C([O-])C[C@H]([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040236	0	52	0.0	-55.68	420.04	10.92	-44.76
O=C([O-])C[C@H]([NH2+]CC1=CSC=C1Cl)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040237	0	43	0.0	-45.91	368.55	12.12	-33.79
O=C([O-])C[C@H]([NH2+]CC1CC2CCC1C2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040238	0	53	0.0	-50.10	389.02	13.34	-36.76
O=C([O-])C[C@H]([NH2+]CC1=CC=C(F)N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040239	0	45	0.0	-57.79	365.11	10.86	-46.93
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)NN=C1	REAL300012040240	0	46	0.0	-36.23	367.33	9.97	-26.26
CC1=CNN=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040240	1	46	0.0	-48.61	364.66	9.74	-38.87
CC1=CN=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)N1C	REAL300012040241	1	49	0.0	-50.47	384.17	11.56	-38.91
CC(C)C1CCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300012040242	0	61	0.0	-33.88	444.43	15.05	-18.83
CN1N=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1Cl	REAL300012040243	1	46	0.0	-48.36	382.12	10.83	-37.53
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=CN=C2O1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040244	0	48	0.0	-55.88	386.14	10.18	-45.70
CC1=CN=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040245	0	48	0.0	-36.00	377.44	11.83	-24.17
O=C([O-])C[C@H]([NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040246	0	53	0.0	-36.22	416.53	15.10	-21.12
CC(C)N1C=CN=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040248	1	52	0.0	-31.80	408.20	12.80	-19.00
CC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)N1C	REAL300012040249	0	49	0.0	-41.00	386.79	11.88	-29.12
CC1=C2C=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)NC2=CC=C1	REAL300012040250	0	53	0.0	-37.64	419.95	13.53	-24.11
CC1=CC=C2C=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)NC2=C1	REAL300012040251	0	53	0.0	-37.36	420.37	13.55	-23.81
CC1=NC=CN=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040252	0	47	0.0	-49.18	370.82	9.51	-39.67
CCOC1=CN=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040253	0	52	0.0	-37.66	413.63	11.39	-26.27
O=C([O-])C[C@H]([NH2+]CC1=CC=NC=C1Cl)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040254	0	45	0.0	-49.55	371.12	11.43	-38.12
CCC(F)(F)C(C)(C)C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040255	0	54	0.0	-33.80	406.69	13.34	-20.46
O=C([O-])C[C@H]([NH2+]CC1=CC=NC(F)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040256	0	45	0.0	-57.48	365.16	10.87	-46.61
O=C([O-])C[C@H]([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040257	0	50	0.0	-36.41	398.71	13.02	-23.39
O=C([O-])C[C@H]([NH2+]CC1=CC2=C(C=CNC2=O)O1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040258	0	49	0.0	-58.93	396.46	10.18	-48.75
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040259	0	48	0.0	-39.59	395.35	12.11	-27.48
COC1=CN=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1C	REAL300012040260	0	52	0.0	-36.92	404.95	11.10	-25.82
CC1=CC(C)=C(C=CC[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(C)=C1	REAL300012040261	0	59	0.0	-36.61	457.18	16.08	-20.53
CCCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)N=N1	REAL300012040262	1	51	0.0	-36.23	407.06	11.10	-25.13
O=C([O-])C[C@H]([NH2+]CC1=CN(C2CC2)C=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040263	1	50	0.0	-49.00	395.22	13.35	-35.65
CC1=CC(C)=C(C=CC[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1C	REAL300012040264	0	59	0.0	-52.10	450.77	15.74	-36.36
CC1=NSC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040265	0	45	0.0	-36.20	373.67	11.37	-24.83
CCN1N=CN=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040266	1	48	0.0	-51.24	377.27	11.87	-39.37
O=C([O-])C[C@H]([NH2+]CC1=CN=C(C2CC2)O1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040267	0	49	0.0	-51.52	392.21	10.01	-41.51
CCC1=CNC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300012040268	1	49	0.0	-34.38	390.12	11.06	-23.32
O=C([O-])C[C@H]([NH2+]CC1=NC=CC2=C1CCCC2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040269	0	55	0.0	-45.63	415.85	13.23	-32.40
O=C([O-])C[C@H]([NH2+]CC1=CC=C2OCCCC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040270	0	54	0.0	-51.61	417.55	13.33	-38.28
CCC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(Cl)=NN1	REAL300012040271	0	49	0.0	-32.32	405.42	11.10	-21.22
O=C([O-])C[C@H]([NH2+]CC1=C(C2CC2)NN=C1Cl)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040272	0	50	0.0	-37.71	413.72	11.94	-25.77
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)N=N1	REAL300012040273	1	48	0.0	-55.00	382.07	10.05	-44.95
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)O1	REAL300012040274	0	50	0.0	-50.83	399.11	12.22	-38.61
CCN1C=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040275	1	49	0.0	-49.23	387.73	12.87	-36.36
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CN=C1F	REAL300012040276	0	48	0.0	-42.30	388.98	11.77	-30.53
CC1=CC(F)=NC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040277	0	48	0.0	-54.96	380.30	11.50	-43.46
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C(F)F)C(F)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040278	0	49	0.0	-45.14	406.77	13.96	-31.18
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(C)=C1	REAL300012040279	0	53	0.0	-35.92	410.50	12.85	-23.07
CC1CC2=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)=CC=C2O1	REAL300012040280	0	54	0.0	-37.59	424.22	13.59	-24.00
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=C1OC(=O)N2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040281	0	49	0.0	-55.33	395.26	10.19	-45.14
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=C1OCC2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040282	0	51	0.0	-36.08	402.77	12.79	-23.29
CSCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300012040283	0	53	0.0	-35.70	433.46	14.88	-20.82
O=C([O-])C[C@H]([NH2+]CC1=CN(CC2CCC2)N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040284	0	56	0.0	-40.31	439.43	13.70	-26.61
CN1N=C2CCOCC2=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040285	0	54	0.0	-53.71	419.15	10.32	-43.39
CN1N=C2CCCC2=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040286	0	53	0.0	-37.58	414.07	12.46	-25.12
O=C([O-])C[C@H]([NH2+]CC1=CC=NN1C1CCC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040287	0	53	0.0	-51.81	412.63	12.47	-39.34
O=C([O-])C[C@H]([NH2+]CC1=CN(C2CCC2)N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040288	0	53	0.0	-35.82	415.50	12.77	-23.05
COC1=CC=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040289	0	53	0.0	-33.28	410.54	12.84	-20.44
CN1C=NC2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)=C21	REAL300012040290	0	52	0.0	-37.21	402.71	14.08	-23.13
CCC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040291	0	52	0.0	-33.25	399.61	14.21	-19.04
CC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040292	0	49	0.0	-37.77	395.16	13.72	-24.05
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(C)=C1C	REAL300012040293	0	55	0.0	-32.58	416.85	14.71	-17.87
O=C([O-])C[C@H]([NH2+]CC1=CN=C2CCCCCN12)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040294	0	56	0.0	-51.59	419.93	13.10	-38.49
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=NN1C(C)C	REAL300012040295	0	55	0.0	-34.56	429.30	12.78	-21.78
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1C1CC1	REAL300012040296	0	56	0.0	-34.20	434.37	15.61	-18.59
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC=N1	REAL300012040297	0	52	0.0	-39.75	416.29	10.64	-29.11
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1C1CC1	REAL300012040298	0	56	0.0	-33.86	433.78	15.62	-18.24
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)O1	REAL300012040299	0	47	0.0	-51.01	377.25	11.28	-39.73
COCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)O1	REAL300012040300	0	54	0.0	-52.86	432.73	11.46	-41.40
O=C([O-])C[C@H]([NH2+]CC1=NN(CCF)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040301	1	49	0.0	-34.23	398.34	11.71	-22.52
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(C)=N1	REAL300012040302	0	52	0.0	-39.14	411.29	12.20	-26.94
CN1N=C(C2CC2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040303	0	53	0.0	-53.16	415.82	12.34	-40.82
COC1=NC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1F	REAL300012040304	0	49	0.0	-52.71	396.53	9.46	-43.25
O=C([O-])C[C@H]([NH2+]CC1=CN2C=CN=C2S1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040305	0	46	0.0	-42.44	384.50	12.91	-29.53
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C(C(C)(C)C)O1	REAL300012040306	0	58	0.0	-48.33	446.15	14.25	-34.08
CC1=C(C)SC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300012040307	0	48	0.0	-46.88	388.98	11.15	-35.73
O=C([O-])C[C@H]([NH2+]CC1=CSN=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040308	0	42	0.0	-54.08	348.36	10.34	-43.74
CC(C)CN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)N=N1	REAL300012040309	1	54	0.0	-54.45	419.27	11.45	-43.00
O=C([O-])C[C@H]([NH2+]CC1=NC(C2CC2)=CS1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040310	1	49	0.0	-47.56	399.33	11.93	-35.63
O=C([O-])C[C@H]([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040311	0	46	0.0	-58.19	384.92	10.03	-48.16
O=C([O-])C[C@H]([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040312	0	51	0.0	-39.04	403.01	12.79	-26.25
CSC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040314	0	50	0.0	-37.04	407.56	14.00	-23.04
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC(C)=N1	REAL300012040315	0	51	0.0	-53.21	401.96	12.15	-41.06
CCCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(C)=N1	REAL300012040316	0	55	0.0	-38.94	432.79	12.96	-25.98
CCN1C=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300012040317	1	49	0.0	-48.79	387.90	11.28	-37.51
O=C([O-])C[C@H]([NH2+]CC1=CC2=NC=CC=C2O1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040318	0	48	0.0	-54.34	386.12	11.43	-42.91
O=C([O-])C[C@H]([NH2+]CC1=CC=C(CC2CC2)S1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040320	0	53	0.0	-32.27	432.55	15.24	-17.03
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040321	0	54	0.0	-51.91	424.61	13.68	-38.23
CNC(=O)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040322	0	53	0.0	-46.10	423.64	11.22	-34.88
O=C([O-])C[C@H]([NH2+]CC1=CC(C2CCC2)=NN1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040323	0	53	0.0	-53.60	410.97	11.60	-42.00
CCCN1C=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300012040324	1	52	0.0	-33.11	413.24	12.33	-20.78
CC(C)N1C=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300012040325	1	52	0.0	-32.80	410.41	12.07	-20.73
CC(C)(C)C1=CN=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040326	0	57	0.0	-38.32	438.55	13.44	-24.88
CN1C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=NC2=C1CCCC2	REAL300012040327	1	56	0.0	-50.27	427.08	13.40	-36.87
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040328	0	49	0.0	-51.51	402.08	13.64	-37.87
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040329	0	54	0.0	-49.58	410.28	12.69	-36.89
COC1=NN(C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040330	0	50	0.0	-41.97	402.83	8.69	-33.28
O=C([O-])C[C@H]([NH2+]CC1=NC2=C(COCC2)S1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040331	1	50	0.0	-48.84	403.27	10.04	-38.80
O=C([O-])C[C@H]([NH2+]CC1=CC2=C(CCCC2)O1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040332	0	53	0.0	-48.79	408.14	13.52	-35.27
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040333	0	48	0.0	-42.29	401.97	13.73	-28.56
COC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=N1	REAL300012040335	0	52	0.0	-52.14	406.07	10.03	-42.11
COC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1O	REAL300012040336	0	54	0.0	-36.43	421.34	10.67	-25.76
COC1=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1C	REAL300012040337	0	52	0.0	-50.27	411.16	10.07	-40.20
CCCN1C=NC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040338	0	52	0.0	-49.45	402.10	13.59	-35.86
O=C([O-])C[C@H]([NH2+]CC1=CC=CNC1=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040339	0	46	0.0	-34.78	370.73	9.87	-24.91
O=C([O-])C[C@H]([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040340	0	59	0.0	-48.72	455.06	16.24	-32.48
O=C([O-])C[C@H]([NH2+]CC1=CC(C2CC2)=NN1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040341	0	50	0.0	-38.71	398.73	11.41	-27.30
O=C([O-])C[C@H]([NH2+]CC1=CC=NN1C1CC1(F)F)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040342	0	50	0.0	-42.22	410.84	12.52	-29.70
COC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=CS1	REAL300012040343	0	47	0.0	-33.67	388.88	11.41	-22.26
CC(F)(F)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040344	0	52	0.0	-39.51	420.37	14.47	-25.04
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=CC(F)=C1F)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040345	0	46	0.0	-40.67	385.28	13.12	-27.55
CC(C)(C)C1=NNC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040346	0	55	0.0	-52.98	425.48	11.55	-41.43
O=C([O-])C[C@H]([NH2+]CC=CC1=CC=CC=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040347	0	50	0.0	-36.66	398.20	14.25	-22.41
O=C([O-])C[C@H]([NH2+]CC1=CN=NN1C1CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040348	0	49	0.0	-56.40	389.98	10.71	-45.69
O=C([O-])C[C@H]([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040349	0	54	0.0	-36.17	421.06	13.08	-23.09
O=C([O-])C[C@H]([NH2+]CC1=CN(CCO)N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040350	0	50	0.0	-40.98	402.96	8.25	-32.73
O=C([O-])C[C@H]([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040351	0	52	0.0	-58.45	418.12	10.86	-47.59
O=C([O-])C[C@H]([NH2+]CC=CC1=CC=NC=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040352	0	49	0.0	-39.93	393.40	12.51	-27.42
C=CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300012040353	0	50	0.0	-34.80	398.47	14.08	-20.72
CC(F)(F)C1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040354	0	52	0.0	-35.16	403.62	14.28	-20.88
O=C([O-])C[C@H]([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040355	0	51	0.0	-39.48	408.34	13.47	-26.01
CC1=CC2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)=C2O1	REAL300012040356	0	52	0.0	-47.49	412.74	13.85	-33.64
COC1=CSC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1OC	REAL300012040357	0	51	0.0	-47.04	416.26	10.75	-36.29
CS(=O)(=O)C1=COC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040358	1	49	0.0	-58.17	407.31	8.30	-49.87
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(C(F)F)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040360	0	49	0.0	-39.80	401.32	13.88	-25.92
O=C([O-])C[C@H]([NH2+]CC1=C(F)C2=CC=CC=C2C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040361	0	52	0.0	-39.43	417.56	15.20	-24.23
O=C([O-])C[C@H]([NH2+]CC1=CSC(Cl)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040362	0	43	0.0	-51.78	370.88	12.26	-39.52
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=NN1C1CCC1	REAL300012040363	0	56	0.0	-51.18	431.17	13.18	-38.00
O=C([O-])C[C@H]([NH2+]CC1=CC=NN1CC(F)F)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040364	0	49	0.0	-34.44	396.24	11.79	-22.65
O=C([O-])C[C@H]([NH2+]CC1=NN(C2CCC2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040365	1	53	0.0	-48.26	412.08	12.39	-35.87
O=C([O-])C[C@H]([NH2+]CC1=NN(CC(F)F)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040366	1	49	0.0	-35.53	404.73	11.85	-23.68
O=C([O-])C[C@H]([NH2+]CC1=NN(C2CC2(F)F)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040367	1	50	0.0	-52.39	409.41	12.14	-40.25
CC1=CN(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300012040368	1	49	0.0	-49.63	385.07	11.66	-37.97
O=C([O-])C[C@H]([NH2+]CC1=NN(C2CCCC2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040369	1	56	0.0	-47.72	429.29	13.06	-34.66
CC1=NSC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040370	0	45	0.0	-37.69	369.40	11.13	-26.56
O=C([O-])C[C@H]([NH2+]CC1=CC=CC=C1C(F)F)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040371	0	49	0.0	-37.38	386.46	13.75	-23.63
O=C([O-])C[C@H]([NH2+]CC1=CC2=CNN=C2C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040372	0	49	0.0	-44.57	393.41	11.66	-32.91
CC1=C(F)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040373	0	49	0.0	-37.01	388.17	13.57	-23.44
COC1=C(C#N)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040374	0	51	0.0	-54.05	413.31	12.50	-41.55
CC1=NC(Cl)=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040375	0	48	0.0	-40.40	393.17	12.16	-28.24
COC1=CC(Cl)=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040376	0	50	0.0	-36.24	413.58	12.80	-23.44
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC(F)=C1F	REAL300012040377	0	50	0.0	-41.56	409.37	12.42	-29.14
COC1=CC(C)=NC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040378	0	52	0.0	-35.55	412.44	11.16	-24.39
CC(C)N1C=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040379	1	52	0.0	-48.61	407.35	13.26	-35.35
CC(C)OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)O1	REAL300012040380	0	53	0.0	-50.50	419.40	12.93	-37.57
N#CC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040381	0	47	0.0	-42.80	394.62	13.44	-29.36
COC1=CC=CC=C1C=CC[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040382	0	54	0.0	-52.52	423.27	13.37	-39.15
CC1=NN(C2CCC2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040383	0	56	0.0	-38.34	435.04	13.32	-25.02
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=NN1CC(F)F	REAL300012040384	0	52	0.0	-37.96	421.77	12.35	-25.61
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(C)=N1	REAL300012040385	0	52	0.0	-38.45	408.46	10.22	-28.23
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=NS1	REAL300012040386	0	45	0.0	-35.54	370.07	11.41	-24.13
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=NO1	REAL300012040387	0	45	0.0	-53.89	359.06	10.96	-42.93
O=C([O-])C[C@H]([NH2+]CC1=CC=C(CF)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040388	0	49	0.0	-51.78	391.93	13.54	-38.24
O=C([O-])C[C@H]([NH2+]CC1=CC=C2SC=CC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040389	0	49	0.0	-37.06	404.27	14.36	-22.70
CC1=NSC(C)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040390	0	48	0.0	-51.86	386.30	11.57	-40.29
C=CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=N1	REAL300012040391	0	50	0.0	-40.29	404.34	12.17	-28.12
O=C([O-])C[C@H]([NH2+]CC1=CC2=NNC=C2C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040392	0	49	0.0	-54.13	390.10	11.41	-42.72
CCC(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300012040393	0	58	0.0	-33.96	446.02	15.58	-18.38
CC(F)(F)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300012040394	0	51	0.0	-52.90	412.96	12.64	-40.26
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=C1CCCC2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040395	0	56	0.0	-47.36	419.25	15.07	-32.29
O=C([O-])C[C@H]([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040396	0	52	0.0	-47.42	419.72	12.90	-34.52
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=CC2=CC=CC=C21	REAL300012040397	0	55	0.0	-48.96	420.88	15.47	-33.49
CC1=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C(C)S1	REAL300012040398	1	48	0.0	-46.16	388.96	11.12	-35.04
CCCN1N=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1C	REAL300012040399	0	55	0.0	-34.68	430.12	12.83	-21.85
COC(=O)C1=CN(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012040400	0	53	0.0	-56.69	425.41	12.82	-43.87
CCCN1N=C(C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012040401	0	55	0.0	-36.82	427.15	12.77	-24.05
CC(C)(C)C1=NC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)O1	REAL300012040402	0	54	0.0	-51.02	422.69	10.19	-40.83
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(C)=C1	REAL300012040403	0	42	0.0	-26.90	352.34	11.53	-15.37
CC1=CC=C(C)C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040404	0	42	0.0	-26.92	352.30	11.53	-15.39
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012040405	0	41	0.0	-31.92	357.22	10.60	-21.32
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1CC2C=CC1C2	REAL300012040406	0	41	0.0	-32.77	334.94	10.79	-21.98
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1CCCCC1	REAL300012040407	0	42	0.0	-30.10	337.11	10.57	-19.53
CC(C)(C)C1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040408	0	48	0.0	-28.04	392.29	12.56	-15.48
CC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1C	REAL300012040409	0	42	0.0	-26.85	347.68	11.30	-15.55
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1C	REAL300012040410	0	42	0.0	-28.07	354.51	11.44	-16.63
COC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(Cl)=C1	REAL300012040411	0	40	0.0	-25.15	358.27	9.97	-15.18
N#CC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040412	0	37	0.0	-32.87	336.95	10.62	-22.25
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012040413	0	39	0.0	-27.98	354.32	11.66	-16.32
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012040414	0	42	0.0	-30.42	362.14	10.73	-19.69
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012040415	0	33	0.0	-30.97	324.68	10.00	-20.97
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012040416	0	41	0.0	-26.05	357.24	10.80	-15.25
CCC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])O1	REAL300012040417	0	39	0.0	-30.08	339.40	9.94	-20.14
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012040418	0	36	0.0	-27.89	329.39	10.37	-17.52
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012040419	0	36	0.0	-25.75	336.52	10.79	-14.96
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012040420	0	36	0.0	-33.88	340.01	10.84	-23.04
CCOC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040421	0	43	0.0	-28.65	368.78	10.51	-18.14
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1F	REAL300012040422	0	39	0.0	-29.26	344.13	10.99	-18.27
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012040423	0	36	0.0	-34.00	334.26	10.39	-23.61
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012040424	0	39	0.0	-30.38	352.64	11.74	-18.64
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012040425	0	36	0.0	-34.01	340.01	10.85	-23.16
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012040426	0	35	0.0	-32.53	323.24	8.88	-23.65
COC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1Cl	REAL300012040427	0	40	0.0	-33.19	361.62	10.09	-23.10
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012040428	0	42	0.0	-27.25	360.33	9.50	-17.75
CCCOC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040429	0	46	0.0	-28.00	388.95	11.26	-16.74
CC(C)OC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040430	0	46	0.0	-28.79	385.37	11.09	-17.70
CC(C)C1=NC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CS1	REAL300012040431	0	41	0.0	-31.79	365.18	9.31	-22.48
CC(C)(C)C1=NC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CS1	REAL300012040432	0	44	0.0	-31.51	384.12	9.82	-21.69
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])OC=C1	REAL300012040433	0	36	0.0	-30.12	318.73	9.03	-21.09
CC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CN=C1Cl	REAL300012040434	0	38	0.0	-31.60	347.92	9.51	-22.09
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012040435	0	40	0.0	-31.94	363.86	12.06	-19.88
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012040436	0	39	0.0	-28.06	343.18	10.57	-17.49
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])N=C1	REAL300012040437	0	38	0.0	-31.29	331.67	9.02	-22.27
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012040438	0	40	0.0	-33.48	360.37	11.67	-21.81
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012040439	0	33	0.0	-28.29	321.59	9.83	-18.46
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012040440	0	40	0.0	-34.19	355.81	10.30	-23.89
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012040441	0	40	0.0	-32.18	355.71	10.29	-21.89
CCOC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040442	0	42	0.0	-32.38	364.29	7.79	-24.59
CC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012040443	0	44	0.0	-32.13	378.65	11.47	-20.66
CC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CC=C1Cl	REAL300012040444	0	39	0.0	-29.57	351.56	11.34	-18.23
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012040445	0	38	0.0	-31.61	347.97	9.72	-21.89
CCCC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040446	0	45	0.0	-28.41	381.80	12.49	-15.92
COC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1C#N	REAL300012040447	0	41	0.0	-39.32	365.81	9.95	-29.37
CCOC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])N=C1	REAL300012040448	0	42	0.0	-32.91	363.82	8.64	-24.27
C=CCOC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040449	0	44	0.0	-28.26	380.36	11.05	-17.21
CC1=CC(C)=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1C	REAL300012040450	0	45	0.0	-27.71	371.26	12.03	-15.68
CC1CCC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300012040451	0	45	0.0	-30.71	359.25	11.21	-19.50
CC(CCC1=CC=CC=C1)C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040452	0	48	0.0	-31.94	396.43	13.14	-18.80
CCC1CCCC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300012040453	0	48	0.0	-28.67	375.34	11.78	-16.89
CCCC1CCC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300012040454	0	51	0.0	-30.62	398.98	12.62	-18.00
CC1CCCCC1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040455	0	45	0.0	-29.33	348.83	10.84	-18.49
COC1=CC=C(C)C=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040456	0	43	0.0	-26.10	366.97	10.30	-15.80
COC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1F	REAL300012040457	0	40	0.0	-34.83	351.82	9.61	-25.22
CC(C)C1CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])CCO1	REAL300012040458	0	49	0.0	-30.54	385.93	10.35	-20.19
CC1(C)CCC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300012040459	0	48	0.0	-29.66	372.40	11.48	-18.18
CCSC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040460	0	43	0.0	-27.79	377.78	12.09	-15.70
CCCOC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040461	0	46	0.0	-29.30	388.95	11.26	-18.04
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012040462	0	39	0.0	-33.20	345.30	10.80	-22.40
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012040463	0	41	0.0	-40.06	361.61	11.47	-28.59
CC(C)OC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040464	0	46	0.0	-30.06	385.38	11.09	-18.97
CC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CC=C1F	REAL300012040465	0	39	0.0	-30.40	342.82	10.94	-19.46
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012040466	0	40	0.0	-28.89	348.77	10.28	-18.61
CC(C)CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040467	0	48	0.0	-28.57	398.55	12.97	-15.60
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012040468	0	36	0.0	-30.39	339.24	10.82	-19.57
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012040469	0	36	0.0	-26.00	338.39	10.79	-15.21
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012040470	0	36	0.0	-26.70	338.39	10.78	-15.92
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012040471	0	36	0.0	-31.45	330.24	10.42	-21.03
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012040472	0	36	0.0	-34.20	338.16	10.82	-23.38
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012040473	0	36	0.0	-34.99	326.94	10.34	-24.65
CN1C2=CC=CC=C2N=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040474	0	42	0.0	-34.75	362.52	10.56	-24.19
COC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=N1	REAL300012040475	0	39	0.0	-32.25	343.13	6.93	-25.32
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012040476	0	41	0.0	-31.26	353.31	10.12	-21.14
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012040477	0	40	0.0	-28.24	348.59	10.30	-17.94
CC1=NC(C)=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300012040478	0	38	0.0	-29.42	342.89	8.72	-20.70
CNC(=O)C1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040479	0	43	0.0	-35.49	373.88	8.56	-26.93
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012040480	0	42	0.0	-30.29	363.53	12.53	-17.76
COC1=CC(OC)=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040481	0	44	0.0	-30.91	376.41	8.89	-22.02
CN1C=NC2=CC(C[NH2+][C@@H](CC3=CC=C(Br)C=C3)C(=O)[O-])=CC=C21	REAL300012040483	0	42	0.0	-31.92	364.48	11.59	-20.33
CC1=CC=C(F)C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040484	0	39	0.0	-30.87	343.36	11.00	-19.87
CC1=CC=C(F)C=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040485	0	39	0.0	-29.94	337.29	10.93	-19.01
CC1=NC=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040486	0	38	0.0	-28.28	325.78	8.95	-19.33
CC1(C)CCCC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300012040487	0	48	0.0	-29.75	372.40	11.48	-18.27
CC1=CC(Cl)=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040488	0	39	0.0	-27.91	347.66	11.37	-16.54
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012040489	0	40	0.0	-33.26	354.86	11.64	-21.62
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012040490	0	35	0.0	-33.59	327.80	8.88	-24.71
CN1N=NC2=CC(C[NH2+][C@@H](CC3=CC=C(Br)C=C3)C(=O)[O-])=CC=C21	REAL300012040491	0	41	0.0	-40.09	361.40	8.72	-31.37
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1CCCCCC1	REAL300012040492	0	45	0.0	-30.03	348.20	11.03	-19.00
COC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040493	0	39	0.0	-33.52	344.61	6.93	-26.59
CC(C)N1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=N1	REAL300012040494	0	42	0.0	-31.77	358.28	9.40	-22.37
CC1=NC2=CC=C(C[NH2+][C@@H](CC3=CC=C(Br)C=C3)C(=O)[O-])C=C2C=C1	REAL300012040495	0	44	0.0	-32.65	380.11	11.25	-21.40
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012040496	0	39	0.0	-33.35	351.71	10.87	-22.48
COCC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040497	0	43	0.0	-29.41	371.16	9.96	-19.45
CC(C)(C)C1CCC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300012040498	0	54	0.0	-28.47	394.94	12.17	-16.30
CC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C(C)O1	REAL300012040499	0	39	0.0	-29.79	339.20	9.89	-19.90
CC(C)CC1=NC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300012040500	0	44	0.0	-29.06	383.94	10.41	-18.65
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012040501	0	39	0.0	-26.40	346.72	9.41	-16.99
COC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040502	0	40	0.0	-30.32	346.91	9.58	-20.74
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])O1	REAL300012040503	0	36	0.0	-30.97	320.07	9.23	-21.74
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC=C1	REAL300012040504	0	36	0.0	-28.45	316.08	10.24	-18.21
CC(C)(C)C1=NC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300012040505	0	44	0.0	-28.98	382.94	10.02	-18.96
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012040506	0	42	0.0	-30.97	361.92	9.44	-21.53
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012040507	0	36	0.0	-28.81	334.15	10.79	-18.02
CC(C)(C)N1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=N1	REAL300012040508	0	45	0.0	-29.00	378.01	10.02	-18.98
CC1=CC(C)=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040509	0	42	0.0	-28.02	358.91	11.56	-16.46
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(CO)O1	REAL300012040510	0	37	0.0	-34.38	331.48	5.89	-28.49
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CS1	REAL300012040511	0	33	0.0	-29.48	307.64	9.39	-20.09
CC(=O)NC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040512	0	43	0.0	-33.70	372.18	9.13	-24.57
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012040513	0	36	0.0	-28.74	328.13	10.74	-18.00
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012040514	0	38	0.0	-33.79	345.63	10.95	-22.84
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012040515	0	38	0.0	-35.90	343.47	10.87	-25.03
CN(C)C1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040516	0	44	0.0	-29.28	368.92	10.69	-18.59
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012040517	0	36	0.0	-29.79	332.82	10.76	-19.03
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012040518	0	36	0.0	-30.48	322.50	10.31	-20.17
COC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1OC	REAL300012040519	0	44	0.0	-26.51	376.20	9.53	-16.98
COC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1OC	REAL300012040520	0	44	0.0	-33.23	376.16	9.48	-23.75
COC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(OC)=C1	REAL300012040521	0	44	0.0	-26.39	373.70	8.89	-17.50
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012040522	0	36	0.0	-27.04	329.39	10.37	-16.67
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1CC=CCC1	REAL300012040523	0	40	0.0	-29.51	329.42	10.48	-19.03
COC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040524	0	40	0.0	-28.94	346.92	9.58	-19.36
CC(=CC1=CC=CC=C1)C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040525	0	43	0.0	-29.90	364.28	12.02	-17.88
CC(C)C1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040526	0	45	0.0	-27.72	375.48	12.13	-15.59
CCOC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040527	0	43	0.0	-29.53	367.45	10.46	-19.07
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC=C1F	REAL300012040528	0	36	0.0	-31.62	321.98	10.32	-21.30
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012040529	0	36	0.0	-29.38	323.83	10.35	-19.03
COC1=CC=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040530	0	40	0.0	-25.33	343.40	9.56	-15.77
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])SC=C1	REAL300012040531	0	36	0.0	-28.37	326.17	9.95	-18.42
CC1=CC=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040532	0	39	0.0	-26.98	330.71	10.77	-16.21
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040533	0	39	0.0	-28.86	338.81	10.96	-17.90
N#CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040534	0	37	0.0	-35.09	338.26	10.67	-24.42
CSC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040535	0	40	0.0	-29.42	356.31	11.26	-18.16
CC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040536	0	39	0.0	-27.67	336.66	10.87	-16.80
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CSC=C1	REAL300012040537	0	33	0.0	-28.23	306.07	9.18	-19.05
CCC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040538	0	42	0.0	-28.72	360.30	11.72	-17.00
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012040539	0	36	0.0	-35.17	330.12	10.40	-24.77
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300012040540	0	36	0.0	-29.45	329.52	10.18	-19.27
COC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1O	REAL300012040541	0	41	0.0	-33.64	357.67	7.42	-26.22
CCC1=NN(C)C=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040542	0	42	0.0	-29.77	361.36	9.39	-20.38
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CN=C1	REAL300012040543	0	35	0.0	-30.24	312.24	8.50	-21.74
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CO1	REAL300012040544	0	33	0.0	-30.98	298.19	8.40	-22.58
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=NC=C1	REAL300012040545	0	35	0.0	-30.97	310.97	8.47	-22.50
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(Cl)O1	REAL300012040546	0	33	0.0	-32.64	315.22	9.03	-23.61
CC1=NC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CS1	REAL300012040547	0	35	0.0	-32.06	323.98	7.99	-24.07
CN1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=N1	REAL300012040548	0	36	0.0	-32.98	318.06	8.01	-24.97
COC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1C	REAL300012040549	0	43	0.0	-30.12	365.67	10.28	-19.84
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NC=CN1	REAL300012040550	0	33	0.0	-34.79	296.84	7.00	-27.79
CN1C=CN=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040551	0	36	0.0	-25.74	314.93	8.56	-17.18
CC(C)(C)C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040552	0	38	0.0	-28.60	313.27	9.37	-19.23
COC1=CC=C(F)C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040553	0	40	0.0	-30.15	350.10	9.57	-20.58
CSC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300012040554	0	37	0.0	-29.15	348.78	10.53	-18.62
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012040555	0	39	0.0	-26.56	342.10	8.89	-17.67
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN=CN=C1	REAL300012040556	0	34	0.0	-31.50	304.89	8.21	-23.29
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012040557	0	33	0.0	-25.36	321.61	9.78	-15.58
COC1=CC=C(F)C=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040558	0	40	0.0	-28.41	351.96	9.70	-18.71
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NNC=C1	REAL300012040559	0	33	0.0	-32.36	296.00	6.64	-25.72
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=NN1	REAL300012040559	1	33	0.0	-30.99	295.99	6.61	-24.38
NC(=O)C1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040560	0	40	0.0	-34.87	350.63	7.02	-27.85
COC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CC=C1F	REAL300012040561	0	40	0.0	-32.93	351.82	9.60	-23.33
COC1=CC=C(Cl)C=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040562	0	40	0.0	-27.10	360.96	10.10	-17.00
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN=CS1	REAL300012040563	0	32	0.0	-30.29	302.17	7.52	-22.77
CN1C=NC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040564	0	36	0.0	-29.07	316.24	9.37	-19.70
COC(=O)C1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CN1C	REAL300012040565	0	43	0.0	-32.16	376.84	10.47	-21.69
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1Cl	REAL300012040566	0	39	0.0	-28.65	352.87	11.38	-17.27
COC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CC=C1C	REAL300012040567	0	43	0.0	-29.67	366.99	10.32	-19.35
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CSC=N1	REAL300012040568	0	32	0.0	-32.25	302.03	7.28	-24.97
CC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1F	REAL300012040569	0	39	0.0	-26.03	343.30	10.94	-15.09
N#CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(F)=C1	REAL300012040570	0	37	0.0	-30.41	342.48	10.64	-19.77
CC1=NNC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040571	0	36	0.0	-29.12	314.76	7.28	-21.84
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=NN1	REAL300012040571	1	36	0.0	-31.44	315.25	7.20	-24.24
CN1N=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040572	0	36	0.0	-29.35	316.71	7.82	-21.53
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012040573	0	39	0.0	-35.44	342.23	10.71	-24.73
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012040574	0	39	0.0	-32.30	353.86	9.50	-22.80
CCC1=NC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CS1	REAL300012040575	0	38	0.0	-30.82	343.30	8.67	-22.15
CC1=NN(C)C=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040576	0	39	0.0	-30.18	339.88	8.66	-21.52
CCN1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=N1	REAL300012040577	0	39	0.0	-33.24	340.44	8.91	-24.33
CN1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])N=N1	REAL300012040578	0	35	0.0	-38.12	312.08	6.70	-31.42
NC(=O)C1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040579	0	40	0.0	-32.68	350.64	7.01	-25.67
CN1C=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040580	0	36	0.0	-33.05	320.29	7.99	-25.06
CC1=CSC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040581	0	35	0.0	-25.85	321.86	7.94	-17.91
COC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1F	REAL300012040582	0	40	0.0	-27.52	352.29	9.61	-17.91
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012040583	0	43	0.0	-29.21	362.93	12.19	-17.02
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=COC=N1	REAL300012040584	0	32	0.0	-34.92	292.83	4.88	-30.04
CCN1N=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040585	0	39	0.0	-28.39	335.13	8.82	-19.57
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012040586	1	42	0.0	-25.52	363.77	9.95	-15.57
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012040587	0	41	0.0	-32.87	357.10	10.72	-22.15
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])SC=N1	REAL300012040588	0	35	0.0	-28.99	320.00	8.00	-20.99
COC1=CC(F)=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040589	0	40	0.0	-29.97	351.18	9.57	-20.40
CC(C)(C)C1=NC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=N1	REAL300012040590	0	46	0.0	-31.44	387.72	10.19	-21.25
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=CS1	REAL300012040591	0	36	0.0	-27.93	324.65	9.98	-17.95
CS(=O)C1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040592	0	41	0.0	-36.51	367.47	8.80	-27.71
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012040593	0	46	0.0	-27.99	378.79	12.73	-15.26
N#CC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040594	0	36	0.0	-40.95	333.36	8.74	-32.21
COC(=O)C1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CN1	REAL300012040595	0	40	0.0	-31.56	356.91	8.64	-22.92
COCC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])O1	REAL300012040596	0	40	0.0	-33.39	353.74	8.29	-25.10
CC1=NC(F)=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040597	0	38	0.0	-30.85	333.76	9.02	-21.83
COC1=CC(C)=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040598	0	43	0.0	-25.09	364.81	10.22	-14.87
CC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CS1	REAL300012040599	0	36	0.0	-27.91	327.96	9.99	-17.92
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])N=N1	REAL300012040600	0	37	0.0	-37.54	328.93	7.98	-29.56
CN1N=NC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040601	0	35	0.0	-32.56	312.16	6.65	-25.91
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012040602	0	33	0.0	-29.10	324.52	9.90	-19.20
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])N(C)N=C1	REAL300012040603	0	39	0.0	-29.52	336.99	8.42	-21.10
CC1=CC(Cl)=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040604	0	39	0.0	-27.97	354.23	11.40	-16.57
COCC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040605	0	43	0.0	-29.90	370.32	9.93	-19.97
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012040606	0	43	0.0	-28.98	366.64	12.39	-16.59
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012040607	0	32	0.0	-26.00	317.12	7.97	-18.03
C=CN1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=N1	REAL300012040608	0	37	0.0	-34.47	332.01	9.29	-25.18
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012040609	0	39	0.0	-31.24	351.58	11.21	-20.03
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=NN1C	REAL300012040610	0	39	0.0	-32.23	335.69	8.49	-23.74
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012040611	0	41	0.0	-31.73	358.09	9.89	-21.84
COCCN1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=N1	REAL300012040612	0	43	0.0	-31.44	375.43	8.00	-23.44
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012040613	0	46	0.0	-28.68	383.17	12.87	-15.81
CCOC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1F	REAL300012040614	0	43	0.0	-35.28	375.00	10.58	-24.70
N#CC1=CSC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040615	0	34	0.0	-33.75	328.67	9.80	-23.95
COC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CC=C1C#N	REAL300012040616	0	41	0.0	-37.32	367.12	9.99	-27.33
CC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CC=C1C#N	REAL300012040617	0	40	0.0	-34.92	357.43	11.17	-23.75
CC1=CN=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300012040618	0	35	0.0	-25.85	321.97	8.14	-17.71
CC(C)CN1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=N1	REAL300012040619	0	45	0.0	-33.05	378.62	10.54	-22.51
CCC1=CN=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300012040620	1	38	0.0	-25.65	343.46	8.93	-16.72
CC1=NN(C(C)C)C=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040621	0	45	0.0	-29.41	380.86	10.00	-19.41
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012040622	0	39	0.0	-29.94	355.32	9.91	-20.03
CC(C)C1=NC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300012040623	0	41	0.0	-29.15	365.06	9.55	-19.60
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012040624	0	39	0.0	-34.57	353.43	9.20	-25.37
CN(C)C(=O)C1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])N1	REAL300012040625	0	44	0.0	-38.30	374.73	8.46	-29.84
NC(=O)C1=CSC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040626	0	37	0.0	-33.67	343.76	6.14	-27.53
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012040627	0	42	0.0	-29.06	370.66	10.35	-18.71
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012040628	0	36	0.0	-34.34	332.89	8.12	-26.22
CC(C)C1=CN=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300012040629	1	41	0.0	-25.32	363.41	9.50	-15.82
CC(C)(C)C1=CN=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300012040630	1	44	0.0	-26.03	383.75	10.06	-15.97
CCN1N=C(C)C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040631	0	41	0.0	-31.83	355.58	7.82	-24.01
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012040632	0	43	0.0	-28.49	366.63	12.38	-16.11
CC1=NN(C)C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040633	0	39	0.0	-29.39	338.65	8.39	-21.00
N#CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1F	REAL300012040634	0	37	0.0	-38.57	342.85	10.67	-27.90
CC(C)CN1N=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040635	0	45	0.0	-28.49	379.66	10.31	-18.18
COC(=O)C1=C(C)C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CN1	REAL300012040636	0	43	0.0	-30.55	373.71	9.25	-21.30
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012040637	0	43	0.0	-32.11	362.02	9.61	-22.50
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012040638	0	38	0.0	-35.00	340.02	9.07	-25.93
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(Cl)=C1	REAL300012040639	0	39	0.0	-28.43	349.46	11.40	-17.03
CCC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040640	0	42	0.0	-27.94	358.98	11.67	-16.27
COC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(F)=C1	REAL300012040641	0	40	0.0	-26.45	351.15	9.55	-16.90
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012040642	0	43	0.0	-27.68	361.63	12.10	-15.58
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012040643	0	38	0.0	-32.48	347.38	9.95	-22.53
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012040644	0	40	0.0	-32.76	341.73	8.80	-23.96
C=CCCN1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])N=N1	REAL300012040645	0	42	0.0	-37.19	367.80	8.86	-28.33
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012040646	0	43	0.0	-29.62	370.44	10.24	-19.38
CCOC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(C)=C1	REAL300012040647	0	46	0.0	-28.43	383.59	11.12	-17.31
COCC1=CSC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040648	0	40	0.0	-29.48	360.78	9.03	-20.45
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012040649	0	42	0.0	-36.38	357.44	8.67	-27.71
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012040650	0	36	0.0	-33.59	337.18	9.56	-24.03
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012040651	0	36	0.0	-37.16	333.23	10.41	-26.75
CCCN1N=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040652	0	42	0.0	-28.07	358.35	9.40	-18.67
CCCC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300012040653	0	42	0.0	-29.26	372.51	11.74	-17.52
CC(C)C1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040654	0	45	0.0	-27.79	376.32	12.16	-15.63
CN1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(Cl)=N1	REAL300012040655	0	36	0.0	-34.42	336.90	8.49	-25.93
COC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CC=C1Cl	REAL300012040656	0	40	0.0	-32.08	362.95	10.13	-21.95
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012040657	0	46	0.0	-28.34	387.20	10.80	-17.54
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(F)=C1	REAL300012040658	0	39	0.0	-31.35	343.33	11.01	-20.34
CC(=O)NC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040659	0	43	0.0	-36.71	373.22	9.19	-27.52
CN1N=CC2=CC(C[NH2+][C@@H](CC3=CC=C(Br)C=C3)C(=O)[O-])=CN=C21	REAL300012040660	0	41	0.0	-34.27	360.40	9.37	-24.90
CN1N=C2CCCCC2=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040661	0	46	0.0	-29.04	379.46	10.19	-18.85
CC1=C(C)C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CS1	REAL300012040662	0	39	0.0	-26.56	340.45	10.47	-16.09
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012040663	0	35	0.0	-34.22	335.01	8.97	-25.25
CCOC1=CC(F)=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040664	0	43	0.0	-30.70	375.18	10.57	-20.13
CC1=C(Cl)C=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040665	0	39	0.0	-26.76	344.98	11.29	-15.47
COC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C(F)C=C1C	REAL300012040666	0	43	0.0	-31.23	371.52	10.37	-20.86
CC(C)(C)C1=CSC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040667	1	44	0.0	-26.19	383.01	9.98	-16.21
COCCC1=NC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300012040668	0	42	0.0	-30.02	377.12	7.98	-22.04
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012040669	1	37	0.0	-29.36	339.68	7.63	-21.73
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012040670	0	44	0.0	-27.28	362.09	10.16	-17.12
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012040671	0	38	0.0	-36.35	345.18	10.84	-25.51
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012040672	0	41	0.0	-30.22	353.52	10.52	-19.70
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012040673	0	40	0.0	-35.34	352.14	8.66	-26.68
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012040674	0	41	0.0	-31.22	353.71	11.35	-19.87
CC1=COC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040675	0	36	0.0	-30.68	320.06	9.09	-21.59
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012040676	0	35	0.0	-32.57	327.82	8.90	-23.67
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012040678	0	39	0.0	-31.06	347.03	9.04	-22.02
CCCC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040680	0	45	0.0	-27.79	379.64	12.42	-15.37
CC1=C2C=C(C[NH2+][C@@H](CC3=CC=C(Br)C=C3)C(=O)[O-])C=NC2=NN1	REAL300012040681	0	41	0.0	-41.24	359.16	8.76	-32.48
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NC=CS1	REAL300012040682	0	32	0.0	-26.42	300.88	7.38	-19.04
CN1N=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012040683	0	42	0.0	-31.09	365.21	10.12	-20.97
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012040684	0	39	0.0	-31.71	342.98	8.86	-22.85
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012040684	1	39	0.0	-31.44	344.50	8.91	-22.53
CCC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300012040685	0	39	0.0	-28.83	349.69	10.92	-17.91
CCC1=NC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])S1	REAL300012040686	0	38	0.0	-29.91	345.60	8.99	-20.92
COC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])SC=C1	REAL300012040687	0	37	0.0	-27.00	337.53	8.68	-18.32
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CSC=C1Cl	REAL300012040688	0	33	0.0	-25.03	322.07	9.68	-15.35
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1CC2CCC1C2	REAL300012040689	0	43	0.0	-30.92	342.53	10.91	-20.01
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(F)N=C1	REAL300012040690	0	35	0.0	-32.88	318.67	8.44	-24.44
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])NN=C1	REAL300012040691	0	36	0.0	-29.62	315.24	7.17	-22.45
CC1=CNN=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040691	1	36	0.0	-31.97	318.24	7.30	-24.67
CC1=CN=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])N1C	REAL300012040692	0	39	0.0	-34.13	337.81	9.13	-25.00
CC(C)C1CCC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300012040693	0	51	0.0	-30.17	392.99	12.30	-17.87
CN1N=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1Cl	REAL300012040694	0	36	0.0	-27.90	336.04	8.41	-19.49
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012040695	0	38	0.0	-37.47	337.91	7.68	-29.79
CC1=CN=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040696	0	38	0.0	-29.78	327.58	9.12	-20.66
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012040697	0	43	0.0	-31.06	366.59	12.39	-18.67
CC(C)N1C=CN=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040699	0	42	0.0	-31.81	356.13	10.02	-21.79
CC1=NC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])N1C	REAL300012040700	0	39	0.0	-28.98	335.77	9.16	-19.82
CC1=C2C=C(C[NH2+][C@@H](CC3=CC=C(Br)C=C3)C(=O)[O-])NC2=CC=C1	REAL300012040701	0	43	0.0	-30.86	370.25	10.87	-19.99
CC1=CC=C2C=C(C[NH2+][C@@H](CC3=CC=C(Br)C=C3)C(=O)[O-])NC2=C1	REAL300012040702	0	43	0.0	-30.30	369.35	10.84	-19.46
CC1=NC=CN=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040703	0	37	0.0	-26.32	321.26	6.98	-19.34
CCOC1=CN=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040704	0	42	0.0	-30.42	362.38	8.64	-21.78
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012040705	0	35	0.0	-25.52	323.34	8.88	-16.64
CCC(F)(F)C(C)(C)C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040706	0	44	0.0	-33.33	355.60	10.61	-22.72
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=NC(F)=C1	REAL300012040707	0	35	0.0	-32.17	317.40	8.41	-23.76
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012040708	0	40	0.0	-30.97	347.46	10.26	-20.71
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012040709	0	39	0.0	-37.70	347.87	7.69	-30.01
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012040710	0	38	0.0	-34.10	344.11	9.36	-24.74
COC1=CN=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1C	REAL300012040711	0	42	0.0	-30.27	356.66	8.37	-21.90
CCCN1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])N=N1	REAL300012040712	0	41	0.0	-37.54	354.99	8.30	-29.24
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012040713	0	40	0.0	-33.34	347.46	10.88	-22.46
CC1=NSC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040714	0	35	0.0	-32.39	322.65	8.66	-23.73
CCN1N=CN=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040715	0	38	0.0	-33.76	334.07	9.36	-24.40
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012040716	1	39	0.0	-32.41	346.13	7.58	-24.83
CCC1=CNC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040717	0	39	0.0	-34.77	340.19	8.35	-26.42
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012040718	0	45	0.0	-24.98	366.61	10.75	-14.23
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012040719	0	44	0.0	-29.16	368.97	10.83	-18.33
CCC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(Cl)=NN1	REAL300012040720	0	39	0.0	-31.26	353.32	8.32	-22.94
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012040721	0	40	0.0	-25.27	362.46	9.19	-16.08
CCN1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])N=N1	REAL300012040722	0	38	0.0	-37.91	333.49	7.54	-30.37
CCOC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])O1	REAL300012040723	0	40	0.0	-31.79	353.02	9.79	-22.00
CCN1C=NC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040724	0	39	0.0	-33.36	339.15	10.37	-22.99
CC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CN=C1F	REAL300012040725	0	38	0.0	-32.63	339.05	9.06	-23.57
CC1=CC(F)=NC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040726	0	38	0.0	-32.80	333.93	9.06	-23.74
COC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(C)=C1	REAL300012040727	0	43	0.0	-27.78	359.57	10.11	-17.67
CC1CC2=CC(C[NH2+][C@@H](CC3=CC=C(Br)C=C3)C(=O)[O-])=CC=C2O1	REAL300012040728	0	44	0.0	-30.58	373.10	10.84	-19.74
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012040729	0	39	0.0	-30.91	347.02	7.70	-23.21
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012040730	0	41	0.0	-26.10	353.16	10.10	-16.00
CSCC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040731	0	43	0.0	-30.74	383.54	12.17	-18.57
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012040732	0	46	0.0	-30.11	389.65	11.03	-19.08
CN1N=C2CCOCC2=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040733	0	44	0.0	-30.54	370.55	7.80	-22.74
CN1N=C2CCCC2=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040734	0	43	0.0	-30.17	361.98	9.68	-20.49
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012040735	0	43	0.0	-27.94	363.44	9.98	-17.96
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012040736	0	43	0.0	-32.21	364.26	10.02	-22.19
COC1=CC=C(C)C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040737	0	43	0.0	-30.09	361.70	10.18	-19.91
CN1C=NC2=CC=CC(C[NH2+][C@@H](CC3=CC=C(Br)C=C3)C(=O)[O-])=C21	REAL300012040738	0	42	0.0	-29.81	353.66	11.46	-18.35
CCC1=CC=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040739	0	42	0.0	-26.86	350.89	11.55	-15.31
CC1=CC(F)=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040740	0	39	0.0	-29.06	345.23	11.01	-18.05
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(C)=C1C	REAL300012040741	0	45	0.0	-27.42	366.97	12.00	-15.42
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012040742	0	46	0.0	-28.49	373.50	10.69	-17.80
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=NN1C(C)C	REAL300012040743	0	45	0.0	-31.55	378.20	9.97	-21.58
CC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012040744	0	46	0.0	-28.19	382.51	12.86	-15.33
CCOC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CC=N1	REAL300012040745	0	42	0.0	-30.41	366.36	7.92	-22.49
CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1C1CC1	REAL300012040746	0	46	0.0	-28.92	383.85	12.91	-16.01
COC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])O1	REAL300012040747	0	37	0.0	-31.95	331.17	8.85	-23.10
COCCOC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])O1	REAL300012040748	0	44	0.0	-32.83	384.50	8.95	-23.88
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012040749	0	39	0.0	-32.52	346.25	8.91	-23.61
CCN1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(C)=N1	REAL300012040750	0	42	0.0	-28.80	359.22	9.45	-19.35
CN1N=C(C2CC2)C=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040751	0	43	0.0	-29.29	368.43	9.89	-19.40
COC1=NC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1F	REAL300012040752	0	39	0.0	-27.83	348.77	6.99	-20.84
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012040753	0	36	0.0	-36.42	332.64	10.17	-26.25
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012040754	0	48	0.0	-28.59	399.21	11.76	-16.83
CC1=C(C)SC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040755	0	38	0.0	-26.14	341.57	8.68	-17.46
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CSN=C1	REAL300012040756	0	32	0.0	-31.15	301.92	7.92	-23.23
CC(C)CN1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])N=N1	REAL300012040757	0	44	0.0	-37.47	374.78	9.05	-28.42
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012040758	1	39	0.0	-26.57	353.26	9.51	-17.06
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012040759	0	36	0.0	-33.20	338.48	7.61	-25.59
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012040760	0	41	0.0	-29.39	353.27	10.13	-19.26
CN1C=C(Cl)C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040761	0	36	0.0	-29.18	334.71	8.41	-20.77
CSC1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040762	0	40	0.0	-28.53	357.63	11.29	-17.24
CC1=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CC(C)=N1	REAL300012040763	0	41	0.0	-31.26	355.52	9.73	-21.53
CCCN1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(C)=N1	REAL300012040764	0	45	0.0	-28.59	380.72	10.21	-18.38
CCN1C=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040765	0	39	0.0	-32.02	339.67	8.77	-23.25
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012040766	0	38	0.0	-34.27	340.04	9.00	-25.27
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012040768	0	43	0.0	-28.91	381.30	12.49	-16.42
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012040769	0	44	0.0	-31.34	377.96	11.25	-20.09
CNC(=O)C1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040770	0	43	0.0	-33.24	373.90	8.55	-24.69
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012040771	0	43	0.0	-31.27	364.52	9.18	-22.09
CCCN1C=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040772	0	42	0.0	-31.83	361.16	9.53	-22.30
CC(C)N1C=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040773	0	42	0.0	-32.06	360.49	9.36	-22.70
CC(C)(C)C1=CN=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040774	0	47	0.0	-29.42	388.81	10.78	-18.64
CN1C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=NC2=C1CCCC2	REAL300012040775	0	46	0.0	-34.53	381.02	10.95	-23.58
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012040776	0	44	0.0	-28.76	364.14	10.26	-18.50
COC1=NN(C)C=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040777	0	40	0.0	-28.43	353.13	6.02	-22.41
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012040778	1	40	0.0	-27.35	356.83	7.61	-19.74
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012040779	0	43	0.0	-30.14	360.38	11.06	-19.08
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012040780	0	38	0.0	-37.14	350.72	10.98	-26.16
COC1=CC(C)=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=N1	REAL300012040782	0	42	0.0	-30.83	359.73	7.59	-23.24
COC1=CC(C)=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1O	REAL300012040783	0	44	0.0	-31.52	370.86	7.87	-23.65
COC1=NC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=CC=C1C	REAL300012040784	0	42	0.0	-33.29	364.71	7.66	-25.63
CCCN1C=NC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040785	0	42	0.0	-27.28	354.37	11.13	-16.15
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CNC1=O	REAL300012040786	0	36	0.0	-42.52	321.02	7.19	-35.33
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012040787	0	40	0.0	-30.97	347.71	8.69	-22.28
COC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=CS1	REAL300012040788	0	37	0.0	-25.74	337.63	8.66	-17.08
CC(F)(F)C1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040789	0	42	0.0	-28.67	369.31	11.76	-16.91
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012040790	0	36	0.0	-27.14	334.36	10.39	-16.75
CC(C)(C)C1=NNC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040791	0	45	0.0	-30.06	378.05	9.07	-20.99
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012040792	0	40	0.0	-31.02	348.46	11.57	-19.45
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012040793	0	39	0.0	-30.30	341.55	8.21	-22.09
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012040794	0	44	0.0	-30.50	371.12	10.37	-20.13
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012040795	0	40	0.0	-31.58	351.86	5.55	-26.03
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012040796	0	39	0.0	-34.32	343.48	9.80	-24.52
C=CC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040797	0	40	0.0	-29.32	348.53	11.37	-17.95
CC(F)(F)C1=CC=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040798	0	42	0.0	-33.90	356.68	11.75	-22.15
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012040799	0	41	0.0	-33.20	358.41	10.75	-22.45
CC1=CC2=CC=CC(C[NH2+][C@@H](CC3=CC=C(Br)C=C3)C(=O)[O-])=C2O1	REAL300012040800	0	42	0.0	-25.65	364.49	11.35	-14.30
CCN1C=C(Cl)C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040801	0	39	0.0	-29.01	356.24	9.26	-19.75
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012040802	0	39	0.0	-29.80	351.58	11.21	-18.59
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012040803	0	33	0.0	-30.63	323.12	9.80	-20.83
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012040804	0	46	0.0	-32.17	385.07	10.75	-21.42
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012040805	0	39	0.0	-31.94	350.65	8.93	-23.01
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012040806	0	43	0.0	-32.37	363.53	9.85	-22.52
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012040807	0	39	0.0	-36.36	352.35	9.14	-27.22
CC1=CN(C)C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040808	0	39	0.0	-25.66	336.85	9.16	-16.50
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012040809	0	46	0.0	-31.61	383.21	10.63	-20.98
CC1=NSC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040810	0	35	0.0	-29.10	316.94	8.45	-20.65
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012040811	0	39	0.0	-33.42	339.81	11.21	-22.21
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012040812	0	39	0.0	-34.08	343.67	8.99	-25.09
CC1=C(F)C=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040813	0	39	0.0	-27.81	337.56	10.93	-16.88
COC1=C(C#N)C=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040814	0	41	0.0	-30.38	367.12	10.08	-20.30
CC1=NC(Cl)=CC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040815	0	38	0.0	-29.95	344.21	9.50	-20.45
COC1=CC(Cl)=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040816	0	40	0.0	-29.50	361.50	10.01	-19.49
COC1=CC(C)=NC=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040817	0	42	0.0	-28.26	362.66	8.47	-19.79
CC(C)N1C=NC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040818	0	42	0.0	-32.68	358.75	10.76	-21.92
CC(C)OC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])O1	REAL300012040819	0	43	0.0	-31.50	373.32	10.50	-21.00
N#CC1=CC(F)=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040820	0	37	0.0	-35.86	344.69	10.73	-25.13
COC1=CC=CC=C1C=CC[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040821	0	44	0.0	-31.01	375.51	10.89	-20.12
CC1=NN(C2CCC2)C=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040822	0	46	0.0	-28.61	383.91	10.60	-18.01
COC1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C(C)=N1	REAL300012040823	0	42	0.0	-28.77	357.36	7.49	-21.28
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=NS1	REAL300012040824	0	35	0.0	-30.14	318.04	8.62	-21.52
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=NO1	REAL300012040825	0	35	0.0	-32.76	312.63	8.53	-24.23
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012040826	0	39	0.0	-31.18	345.39	11.10	-20.08
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012040827	0	39	0.0	-29.65	352.18	11.57	-18.08
CC1=NSC(C)=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040828	0	38	0.0	-29.69	339.97	9.12	-20.57
C=CCN1C=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=N1	REAL300012040829	0	40	0.0	-30.00	353.24	9.46	-20.54
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012040830	0	39	0.0	-32.24	342.34	8.94	-23.30
CCC(C)C1=CC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=C1	REAL300012040831	0	48	0.0	-27.67	393.93	12.79	-14.88
CC(F)(F)C1=CC=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=N1	REAL300012040832	0	41	0.0	-34.24	366.54	10.21	-24.03
O=C([O-])[C@H](CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012040833	0	46	0.0	-27.16	372.76	12.64	-14.52
CC1=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])C=CC2=CC=CC=C12	REAL300012040834	0	45	0.0	-28.37	372.71	12.89	-15.48
CC1=NC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C(C)S1	REAL300012040835	0	38	0.0	-25.05	342.89	8.69	-16.36
CCCN1N=CC(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1C	REAL300012040836	0	45	0.0	-31.40	378.14	10.08	-21.32
COC(=O)C1=CN(C)C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012040837	0	43	0.0	-31.53	377.77	10.35	-21.18
CCCN1N=C(C)C=C1C[NH2+][C@@H](CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012040838	0	45	0.0	-27.42	377.24	10.10	-17.32
CC(C)(C)C1=NC=C(C[NH2+][C@@H](CC2=CC=C(Br)C=C2)C(=O)[O-])O1	REAL300012040839	1	44	0.0	-31.90	376.63	7.76	-24.14
CC1=CC=C(N2C=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012040840	0	59	0.0	-42.35	420.40	13.10	-29.25
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012040841	0	55	0.0	-50.59	413.39	12.19	-38.40
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040842	0	47	0.0	-46.83	373.93	11.02	-35.81
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012040843	0	54	0.0	-42.51	408.22	13.44	-29.07
CC(C)(C)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012040844	0	49	0.0	-45.21	349.84	11.28	-33.93
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012040845	0	44	0.0	-40.13	329.24	8.72	-31.41
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Br)O1	REAL300012040846	0	34	0.0	-51.41	275.24	7.73	-43.68
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OCC1=CC=C(F)C=C1	REAL300012040847	0	55	0.0	-47.12	419.81	12.26	-34.86
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=C2)C=C1	REAL300012040848	0	55	0.0	-50.29	414.01	10.19	-40.10
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(NC(=O)C2=CC=CC=C2Cl)=CC=C1	REAL300012040849	0	51	0.0	-57.01	397.47	11.38	-45.63
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040850	0	47	0.0	-47.11	352.02	10.62	-36.49
N#CCCN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012040851	0	51	0.0	-42.91	394.59	11.39	-31.52
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OC(F)F	REAL300012040852	0	45	0.0	-50.87	341.39	8.49	-42.38
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012040853	0	53	0.0	-50.77	401.44	11.82	-38.95
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1	REAL300012040854	0	44	0.0	-51.92	354.33	11.38	-40.54
CCOC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(Br)=C1OC	REAL300012040855	0	48	0.0	-52.71	378.10	9.80	-42.91
CCOC1=C(Br)C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012040856	0	48	0.0	-52.80	378.04	9.84	-42.96
CCCOC1=CC=C(Br)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040857	0	47	0.0	-40.55	365.87	10.64	-29.91
CCOC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OC	REAL300012040858	0	48	0.0	-49.78	353.40	8.99	-40.79
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012040859	0	51	0.0	-37.05	382.70	12.22	-24.83
CCCCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012040860	0	53	0.0	-44.05	388.77	11.61	-32.44
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012040861	0	46	0.0	-64.45	361.23	11.43	-53.02
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012040862	0	46	0.0	-55.95	361.22	11.44	-44.51
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1Br	REAL300012040863	0	41	0.0	-43.75	322.72	8.83	-34.92
CC(C)OC1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040864	0	47	0.0	-37.25	340.79	9.80	-27.45
CCCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012040865	0	54	0.0	-46.21	396.48	10.72	-35.49
CCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012040866	0	51	0.0	-46.41	374.98	9.94	-36.47
C=CCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012040867	0	49	0.0	-46.71	366.39	9.72	-36.99
CCCCCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012040868	0	60	0.0	-46.10	439.48	12.28	-33.82
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012040869	0	44	0.0	-51.85	349.76	11.28	-40.57
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012040870	0	44	0.0	-52.73	349.88	11.32	-41.41
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1	REAL300012040871	0	44	0.0	-50.04	354.34	11.37	-38.67
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012040872	0	44	0.0	-49.04	357.71	12.18	-36.86
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012040873	0	47	0.0	-53.08	357.41	10.60	-42.48
CCC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C2=CC=CC=C2O1	REAL300012040874	0	46	0.0	-48.16	342.86	10.85	-37.31
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012040875	0	46	0.0	-60.34	357.12	12.05	-48.29
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012040876	0	56	0.0	-38.09	414.98	9.97	-28.12
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012040877	0	43	0.0	-52.31	344.05	9.73	-42.58
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012040878	0	41	0.0	-36.15	317.44	8.74	-27.41
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012040879	0	41	0.0	-50.17	330.03	10.42	-39.75
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012040880	0	44	0.0	-34.41	332.92	6.73	-27.68
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(Cl)=C1	REAL300012040881	0	41	0.0	-35.56	314.86	8.70	-26.86
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012040882	0	41	0.0	-49.37	319.63	8.75	-40.62
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012040883	0	46	0.0	-53.56	369.17	12.33	-41.23
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012040884	0	46	0.0	-56.08	369.46	12.54	-43.54
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012040885	0	44	0.0	-41.01	335.67	8.79	-32.22
CC1=CC=C(C2=NNC=C2C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012040886	0	47	0.0	-39.84	350.60	9.40	-30.44
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012040887	0	41	0.0	-36.71	316.70	8.14	-28.57
COC1=CC=C(C2=NNC=C2C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012040888	0	48	0.0	-40.21	358.72	8.02	-32.19
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC2=CC=CC=C12	REAL300012040889	0	40	0.0	-45.44	310.03	10.31	-35.13
CCOC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C)=NN1CC(C)C	REAL300012040890	0	56	0.0	-39.03	396.61	8.89	-30.14
CC1=CC=C(C2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])O2)C=C1	REAL300012040891	0	47	0.0	-52.77	354.44	11.43	-41.34
CC1=CC=C(C2=NNC=C2C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])O1	REAL300012040892	0	44	0.0	-37.46	333.89	8.13	-29.33
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012040893	0	43	0.0	-43.29	323.84	6.96	-36.33
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012040894	0	50	0.0	-43.04	373.70	7.88	-35.16
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012040895	0	52	0.0	-45.57	381.05	9.58	-35.99
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012040896	0	44	0.0	-49.63	347.39	11.73	-37.90
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012040897	0	50	0.0	-41.84	375.48	10.51	-31.33
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040898	0	46	0.0	-45.43	343.53	7.74	-37.69
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012040899	0	44	0.0	-48.16	331.99	10.16	-38.00
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012040900	0	43	0.0	-49.15	326.92	11.48	-37.67
CC(C)N1N=CC2=CC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=C(Cl)N=C21	REAL300012040901	0	48	0.0	-48.84	372.96	9.90	-38.94
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012040902	0	44	0.0	-47.91	357.60	12.32	-35.59
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012040903	0	54	0.0	-51.69	408.27	10.42	-41.27
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012040904	0	44	0.0	-49.79	350.00	11.97	-37.82
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012040905	0	40	0.0	-42.48	323.14	10.21	-32.27
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012040906	0	40	0.0	-54.12	317.22	10.07	-44.05
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012040907	0	37	0.0	-37.86	302.44	9.98	-27.88
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012040908	0	40	0.0	-42.29	307.78	10.00	-32.29
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012040909	0	40	0.0	-50.19	318.63	10.02	-40.17
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012040910	0	40	0.0	-45.70	312.11	9.95	-35.75
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(Cl)=C1OC	REAL300012040911	0	45	0.0	-36.75	347.61	8.80	-27.95
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012040912	0	40	0.0	-47.86	310.06	10.52	-37.34
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040913	0	53	0.0	-45.38	406.74	12.27	-33.11
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012040914	0	41	0.0	-44.68	327.70	9.08	-35.60
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012040915	0	44	0.0	-45.60	357.59	12.32	-33.28
N#CC1=CC=CC(COC2=CC=CC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=C2)=C1	REAL300012040916	0	52	0.0	-47.53	404.92	12.54	-34.99
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012040917	0	47	0.0	-38.79	354.94	7.39	-31.40
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012040918	0	48	0.0	-51.72	373.06	9.60	-42.12
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012040919	0	50	0.0	-48.16	379.78	10.47	-37.69
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012040920	0	43	0.0	-47.55	337.76	8.84	-38.71
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=C2OCCCOC2=C1	REAL300012040921	0	46	0.0	-48.95	356.45	9.53	-39.42
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012040922	0	47	0.0	-47.37	372.94	11.13	-36.24
CC(C)C1=NN(C)C(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040923	0	46	0.0	-41.96	351.44	8.95	-33.01
COCCOC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012040924	0	48	0.0	-53.51	357.77	8.37	-45.14
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1Cl	REAL300012040925	0	41	0.0	-44.13	318.32	8.72	-35.41
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012040926	0	42	0.0	-60.58	333.06	7.79	-52.79
CC(C)N1C2=CC=CC=C2N=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040927	0	49	0.0	-53.57	354.11	10.41	-43.16
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300012040928	0	53	0.0	-47.31	391.26	8.85	-38.46
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012040929	0	44	0.0	-52.98	343.72	9.56	-43.42
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012040930	0	43	0.0	-38.96	315.83	8.22	-30.74
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012040931	0	46	0.0	-40.00	334.74	8.93	-31.07
CCCN1C2=CC=CC=C2N=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040932	0	49	0.0	-56.32	363.59	11.04	-45.28
CCCOC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012040933	0	47	0.0	-50.32	345.65	9.90	-40.42
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012040934	0	44	0.0	-46.89	338.89	11.45	-35.44
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012040935	0	51	0.0	-42.52	367.35	11.06	-31.46
CC(C)OC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012040936	0	47	0.0	-50.26	342.10	9.72	-40.54
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012040937	0	50	0.0	-36.96	381.77	11.04	-25.92
CC1=CC=C(C2=NC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CS2)C=C1	REAL300012040938	0	46	0.0	-53.11	359.05	10.33	-42.78
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012040939	0	51	0.0	-45.82	387.77	12.32	-33.50
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012040940	0	47	0.0	-55.72	369.22	9.19	-46.53
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012040941	0	46	0.0	-52.63	376.33	10.66	-41.97
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1	REAL300012040942	0	47	0.0	-54.12	385.95	9.70	-44.42
CC1=CC=C(OCC2=NC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CS2)C=C1	REAL300012040943	0	50	0.0	-55.65	390.63	9.86	-45.79
COC1=CC=C(OCC2=NC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CS2)C=C1	REAL300012040944	0	51	0.0	-56.25	398.73	8.46	-47.79
CC(C)(C)C1=NC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CS1	REAL300012040945	0	45	0.0	-49.89	339.49	8.42	-41.47
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012040946	0	40	0.0	-52.15	328.67	8.60	-43.55
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012040947	0	44	0.0	-45.93	347.27	11.86	-34.07
CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040948	0	51	0.0	-39.31	379.25	9.74	-29.57
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012040949	0	51	0.0	-37.35	365.50	11.14	-26.21
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012040950	0	54	0.0	-46.20	405.28	9.85	-36.35
CC1=CC=C(C2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])S2)C=C1	REAL300012040951	0	47	0.0	-49.41	362.39	12.33	-37.08
COC1=CC(OC2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)=CC(OC)=C1	REAL300012040952	0	56	0.0	-51.52	422.36	10.46	-41.06
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012040953	0	43	0.0	-54.09	339.23	9.23	-44.86
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040954	0	41	0.0	-39.32	334.98	9.40	-29.92
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012040955	0	37	0.0	-37.82	307.01	10.08	-27.74
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012040956	0	37	0.0	-37.14	306.02	10.07	-27.07
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012040957	0	48	0.0	-47.88	376.21	11.99	-35.89
CCOC1=C(OC)C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012040958	0	52	0.0	-51.12	386.85	9.00	-42.12
COCCCOC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012040959	0	51	0.0	-52.43	379.31	8.97	-43.46
COC1=CC=C(OC(F)F)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012040960	0	45	0.0	-44.56	340.38	7.93	-36.63
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(Br)=C1OC(F)F	REAL300012040961	0	41	0.0	-39.44	328.78	9.17	-30.27
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012040962	0	41	0.0	-36.27	325.15	8.97	-27.30
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012040963	0	57	0.0	-51.86	427.05	13.70	-38.16
CC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012040964	0	50	0.0	-49.93	376.43	10.61	-39.32
O=C(COC1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])NCC1CC1	REAL300012040965	0	55	0.0	-39.11	414.49	10.15	-28.96
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])S2)C=C1	REAL300012040966	0	46	0.0	-45.98	359.44	10.73	-35.25
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012040967	0	42	0.0	-39.95	329.71	9.97	-29.98
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012040968	0	42	0.0	-37.69	318.44	9.58	-28.11
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012040969	0	42	0.0	-41.10	319.41	9.53	-31.57
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012040970	0	42	0.0	-37.10	327.30	9.97	-27.13
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012040971	0	44	0.0	-54.39	347.53	10.92	-43.47
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])O1	REAL300012040972	0	47	0.0	-51.01	359.96	11.51	-39.50
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])O2)C=C1	REAL300012040973	0	50	0.0	-52.43	375.93	12.20	-40.23
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(OC(F)F)=C1	REAL300012040974	0	45	0.0	-43.15	340.16	7.80	-35.35
COC1=CC=C2OC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC2=C1	REAL300012040975	0	44	0.0	-51.57	330.34	8.83	-42.74
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012040976	0	41	0.0	-45.34	320.92	10.76	-34.58
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012040977	0	45	0.0	-51.31	339.68	10.69	-40.62
CC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1Br	REAL300012040978	0	40	0.0	-49.19	312.29	10.06	-39.13
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012040979	0	41	0.0	-42.22	315.80	10.27	-31.95
CC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1Br	REAL300012040980	0	40	0.0	-46.38	312.28	10.06	-36.32
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012040981	0	44	0.0	-53.72	331.88	10.14	-43.58
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012040982	0	42	0.0	-39.99	325.50	9.37	-30.62
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012040983	0	41	0.0	-54.53	311.18	8.89	-45.64
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012040984	0	41	0.0	-48.04	311.09	8.88	-39.16
CC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC2=CC=CN=C12	REAL300012040985	0	45	0.0	-47.66	334.04	10.07	-37.59
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012040986	0	39	0.0	-49.33	305.05	8.41	-40.92
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])O2)C=C1	REAL300012040987	0	56	0.0	-52.24	409.15	13.08	-39.16
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040988	0	57	0.0	-41.53	408.80	12.09	-29.44
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040989	0	57	0.0	-41.50	413.69	12.10	-29.40
CC1=CC=CC(COC2=C(C)C=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2C)=C1	REAL300012040990	0	60	0.0	-48.16	449.85	14.51	-33.65
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1C	REAL300012040991	0	60	0.0	-47.81	442.34	14.42	-33.39
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012040992	0	55	0.0	-48.08	406.68	13.64	-34.44
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040993	0	53	0.0	-51.04	406.56	11.88	-39.16
CCN(CC)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1F	REAL300012040994	0	51	0.0	-44.35	372.07	9.93	-34.42
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C(SC)C=C1OC	REAL300012040995	0	49	0.0	-41.72	367.48	9.07	-32.65
COC1=CC=C2N=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])SC2=C1	REAL300012040996	0	43	0.0	-44.27	334.66	7.83	-36.44
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012040997	0	43	0.0	-38.42	332.83	9.79	-28.63
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1C#N	REAL300012040998	0	42	0.0	-47.57	322.51	8.58	-38.99
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012040999	0	41	0.0	-48.55	322.74	10.28	-38.27
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041000	0	43	0.0	-43.72	322.99	10.50	-33.22
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012041001	0	41	0.0	-49.35	318.28	8.52	-40.83
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041002	0	43	0.0	-46.14	326.69	10.51	-35.63
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(Cl)=C1OC	REAL300012041003	0	45	0.0	-53.08	351.86	8.77	-44.31
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=CC=C1OC(F)F	REAL300012041004	0	41	0.0	-44.70	332.27	9.19	-35.51
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041005	0	53	0.0	-40.13	410.80	11.97	-28.16
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OCC(C)C	REAL300012041006	0	54	0.0	-48.06	395.09	10.62	-37.44
CCCOC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OC	REAL300012041007	0	51	0.0	-48.38	374.98	9.94	-38.44
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Br)S1	REAL300012041008	0	34	0.0	-48.55	285.04	8.71	-39.84
CCOC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(Cl)=C1OC	REAL300012041009	0	48	0.0	-52.96	373.72	9.69	-43.27
C=CCOC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041010	0	45	0.0	-50.67	337.05	9.69	-40.98
COC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1OC(C)C	REAL300012041011	0	51	0.0	-37.71	371.04	10.04	-27.67
CCOC1=C(Cl)C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012041012	0	48	0.0	-53.03	373.72	9.73	-43.30
CCCOC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=CC=C1OCC	REAL300012041013	0	54	0.0	-44.07	395.41	11.28	-32.79
CCCCOC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OC	REAL300012041014	0	54	0.0	-48.34	396.48	10.72	-37.62
CCCOC1=C(Cl)C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OCC	REAL300012041015	0	54	0.0	-52.79	417.07	11.45	-41.34
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041016	0	53	0.0	-46.67	408.17	12.53	-34.14
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC(F)F	REAL300012041017	0	45	0.0	-52.54	341.39	8.51	-44.03
CCOC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OC(F)F	REAL300012041018	0	48	0.0	-48.17	363.16	9.27	-38.90
CC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012041019	0	47	0.0	-48.22	350.41	9.93	-38.29
CCOC1=CC2=C(C=C1C[NH2+][C@@H]1C[C@H]3C[C@@H]1C[C@H]3C(=O)[O-])OC(C)C2	REAL300012041020	0	52	0.0	-43.53	380.15	9.83	-33.70
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC2=C1OCCO2	REAL300012041021	0	47	0.0	-48.77	346.87	7.95	-40.82
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012041022	0	46	0.0	-57.44	367.55	10.32	-47.12
CCCCN1N=C(C)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1Cl	REAL300012041023	0	49	0.0	-39.67	374.94	9.96	-29.71
CCOC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1OC(F)F	REAL300012041024	0	48	0.0	-39.43	361.79	9.59	-29.84
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012041025	0	55	0.0	-38.69	407.04	11.04	-27.65
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012041026	0	44	0.0	-49.44	340.99	11.66	-37.78
CCCOC1=C(Cl)C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012041027	0	51	0.0	-52.95	395.22	10.53	-42.42
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041028	0	59	0.0	-40.53	424.23	12.95	-27.58
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012041029	0	44	0.0	-58.07	347.74	10.94	-47.13
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041030	0	60	0.0	-37.17	441.60	11.33	-25.84
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2CCCCC2)=N1	REAL300012041031	0	53	0.0	-43.66	379.70	10.41	-33.25
CC(CCC1=CC=CC=C1)C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041032	0	49	0.0	-44.33	350.41	11.72	-32.61
CC1(C)CCC2=C(C1)SC(C[NH2+][C@@H]1C[C@H]3C[C@@H]1C[C@H]3C(=O)[O-])=N2	REAL300012041033	0	49	0.0	-38.24	357.22	9.68	-28.56
CCC1=CC=CC(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041034	0	43	0.0	-41.75	314.85	10.41	-31.34
CC1=C(C)C=C2OC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC2=C1	REAL300012041035	0	46	0.0	-52.00	339.18	10.74	-41.26
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012041036	0	44	0.0	-40.35	345.99	9.24	-31.11
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012041037	0	44	0.0	-51.50	329.19	11.32	-40.18
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012041038	0	44	0.0	-55.17	341.44	10.88	-44.29
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012041039	0	43	0.0	-47.91	333.38	8.72	-39.19
CCCCC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C2=CC=CC=C2O1	REAL300012041040	0	52	0.0	-48.11	385.85	12.41	-35.70
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012041041	0	50	0.0	-54.50	380.47	13.62	-40.88
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012041042	0	52	0.0	-47.53	403.63	11.26	-36.27
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041043	0	50	0.0	-49.68	374.15	11.04	-38.64
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012041044	0	46	0.0	-49.42	352.06	9.43	-39.99
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300012041045	0	51	0.0	-45.04	397.22	12.73	-32.31
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012041046	0	46	0.0	-45.10	330.67	10.16	-34.94
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012041047	0	44	0.0	-46.36	349.95	9.64	-36.72
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012041048	0	43	0.0	-60.86	349.41	9.61	-51.25
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012041049	0	43	0.0	-64.47	348.49	9.41	-55.06
CCSC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041050	0	44	0.0	-50.51	334.47	10.72	-39.79
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012041051	1	38	0.0	-48.60	304.06	6.75	-41.85
CCN1N=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C2=CC=CC=C21	REAL300012041052	0	46	0.0	-51.63	344.54	9.65	-41.98
COCCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CCCCC1	REAL300012041053	0	53	0.0	-42.28	351.51	9.13	-33.15
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012041054	0	34	0.0	-46.13	300.51	9.17	-36.96
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012041055	0	54	0.0	-46.77	408.39	13.97	-32.80
CCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041056	0	47	0.0	-44.31	345.77	10.04	-34.27
COC1=CC=C(C2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012041057	0	50	0.0	-60.89	386.58	11.34	-49.55
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012041058	0	44	0.0	-50.05	364.92	11.72	-38.33
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041059	0	50	0.0	-39.91	389.23	11.29	-28.62
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041060	0	47	0.0	-38.89	380.37	11.30	-27.59
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012041061	0	44	0.0	-52.70	333.04	10.76	-41.94
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OC(C)C	REAL300012041062	0	51	0.0	-46.15	371.88	9.79	-36.36
CCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OCC	REAL300012041063	0	54	0.0	-47.65	396.75	10.71	-36.94
CC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012041064	0	42	0.0	-63.48	319.72	10.18	-53.30
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041065	0	50	0.0	-43.21	399.04	11.45	-31.76
CC(C)OC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041066	0	47	0.0	-48.15	342.95	9.80	-38.35
CCCCCCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041067	0	59	0.0	-44.10	431.77	13.17	-30.93
CC(C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012041068	0	58	0.0	-44.17	405.71	13.24	-30.93
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Br)C=CS1	REAL300012041069	0	34	0.0	-37.10	282.51	8.50	-28.60
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012041070	0	50	0.0	-37.91	357.47	8.60	-29.31
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(F)=CC=C1Br	REAL300012041071	0	37	0.0	-38.22	295.70	9.63	-28.59
CC(C)CC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041072	0	49	0.0	-44.67	354.39	11.62	-33.05
CC1=CC=C(C2=CC=CC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=C2)C=C1	REAL300012041073	0	50	0.0	-48.99	368.41	12.95	-36.04
COC1=CC=C(Br)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041074	0	41	0.0	-40.63	318.20	8.57	-32.06
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012041075	0	43	0.0	-46.64	328.41	9.75	-36.89
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012041076	0	37	0.0	-46.67	306.55	9.95	-36.72
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=CO1	REAL300012041077	0	34	0.0	-47.11	275.25	7.64	-39.47
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041078	0	50	0.0	-42.61	368.90	13.10	-29.51
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012041079	0	43	0.0	-49.92	351.21	10.98	-38.94
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012041080	0	41	0.0	-50.41	312.04	8.45	-41.96
CCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OCC	REAL300012041081	0	51	0.0	-49.76	375.25	9.91	-39.85
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012041082	0	40	0.0	-53.12	324.79	10.43	-42.69
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(F)C=C1Br	REAL300012041083	0	37	0.0	-35.36	295.37	9.59	-25.77
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012041084	0	41	0.0	-50.62	318.78	8.66	-41.96
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041085	0	51	0.0	-49.28	381.87	11.99	-37.29
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012041086	0	47	0.0	-56.57	372.08	11.77	-44.80
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C2=CC=CC=C12	REAL300012041087	0	47	0.0	-44.41	342.22	10.50	-33.91
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012041088	0	44	0.0	-37.79	328.56	8.88	-28.91
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012041088	1	44	0.0	-41.41	331.36	8.80	-32.61
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(Br)=C1O	REAL300012041089	0	42	0.0	-36.85	328.63	6.72	-30.13
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC(Br)=C1	REAL300012041090	0	34	0.0	-46.59	284.55	8.70	-37.89
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012041091	0	54	0.0	-50.27	408.23	10.40	-39.87
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300012041092	0	44	0.0	-49.69	372.74	12.76	-36.93
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300012041093	0	50	0.0	-43.18	394.55	11.01	-32.17
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012041094	0	55	0.0	-40.93	404.16	11.47	-29.46
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012041095	0	47	0.0	-45.63	347.00	12.27	-33.36
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012041096	0	50	0.0	-39.86	377.53	10.44	-29.42
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012041097	0	48	0.0	-45.60	346.99	8.85	-36.75
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012041098	0	37	0.0	-45.40	299.80	9.54	-35.86
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012041099	0	46	0.0	-53.15	344.60	10.90	-42.25
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012041100	0	46	0.0	-44.68	342.11	10.66	-34.02
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012041101	0	46	0.0	-49.90	342.20	10.52	-39.38
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041102	0	52	0.0	-40.40	364.91	9.41	-30.99
CN1CCN(C2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)CC1	REAL300012041103	1	54	0.0	-46.27	382.26	7.60	-38.67
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012041104	0	46	0.0	-50.95	355.28	7.42	-43.53
CNC(=O)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041105	0	44	0.0	-48.74	329.71	7.22	-41.52
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012041106	0	44	0.0	-44.40	338.16	10.30	-34.10
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041107	0	50	0.0	-49.30	384.46	11.49	-37.81
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012041108	0	44	0.0	-44.16	348.48	10.75	-33.41
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041109	0	50	0.0	-53.06	381.27	11.17	-41.89
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1	REAL300012041110	0	44	0.0	-39.49	376.65	10.79	-28.70
CC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012041111	0	56	0.0	-48.74	418.92	12.03	-36.71
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012041112	0	44	0.0	-49.36	343.85	9.71	-39.65
CCOC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012041113	0	58	0.0	-50.89	435.16	12.96	-37.93
COC1=C2OC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC2=CC=C1	REAL300012041114	0	44	0.0	-56.69	330.37	8.83	-47.86
CC(C)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012041115	0	48	0.0	-43.74	355.54	11.35	-32.39
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012041116	0	40	0.0	-49.39	320.24	8.30	-41.09
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041117	0	53	0.0	-49.74	390.23	11.35	-38.39
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041118	0	53	0.0	-40.65	405.68	11.90	-28.75
CCOC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OCC(C)C	REAL300012041119	0	57	0.0	-49.32	416.85	11.39	-37.93
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=CC=C1F	REAL300012041120	0	37	0.0	-38.96	299.87	9.66	-29.30
COC1=CC(Br)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012041121	0	45	0.0	-43.67	346.65	8.54	-35.13
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Br)C=C1F	REAL300012041122	0	37	0.0	-36.54	299.54	9.63	-26.91
COC1=CC(OC)=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041123	0	45	0.0	-48.17	332.09	7.55	-40.62
COC1=CC2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2C=C1	REAL300012041124	0	47	0.0	-45.91	348.36	10.57	-35.34
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=CS1	REAL300012041126	0	34	0.0	-42.21	284.71	8.75	-33.46
CCCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OCC	REAL300012041127	0	57	0.0	-47.37	418.25	11.49	-35.88
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041128	0	50	0.0	-45.42	369.23	11.01	-34.41
COC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1OC(F)F	REAL300012041129	0	45	0.0	-39.20	339.99	8.58	-30.62
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012041130	0	41	0.0	-50.30	333.54	9.60	-40.70
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012041131	0	57	0.0	-39.64	411.00	12.11	-27.53
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012041132	0	43	0.0	-63.69	323.49	8.00	-55.69
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012041134	0	37	0.0	-45.04	299.80	9.53	-35.51
CC1=CC=C(COC2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)C=C1	REAL300012041135	0	54	0.0	-47.24	406.31	12.91	-34.33
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012041136	0	52	0.0	-45.91	366.05	10.15	-35.76
CCCCCCOC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041137	0	56	0.0	-50.04	410.14	12.24	-37.80
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1SC	REAL300012041138	0	45	0.0	-46.15	341.80	9.36	-36.79
N#CCCCOC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041139	0	48	0.0	-56.76	366.50	10.41	-46.35
CCCCCOC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OC	REAL300012041140	0	57	0.0	-48.31	417.98	11.50	-36.81
CCC(C)OC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OC	REAL300012041141	0	54	0.0	-47.09	392.19	10.55	-36.54
CCCCCCCOC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041142	0	59	0.0	-50.11	431.64	13.02	-37.09
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OCCCC#N	REAL300012041143	0	52	0.0	-49.08	395.83	10.45	-38.63
C=C(C)COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OC	REAL300012041144	0	52	0.0	-48.29	385.80	10.49	-37.80
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OCCC(C)C	REAL300012041145	0	57	0.0	-48.07	414.05	11.24	-36.83
C=CCC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(OC)=C1O	REAL300012041146	0	49	0.0	-47.14	367.78	8.17	-38.97
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012041147	0	44	0.0	-48.26	332.30	8.95	-39.31
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041148	0	46	0.0	-49.64	351.16	9.97	-39.67
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041149	0	47	0.0	-41.41	369.94	7.44	-33.97
CCOC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012041150	0	51	0.0	-52.99	394.83	10.37	-42.62
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012041151	0	43	0.0	-60.36	325.90	8.85	-51.51
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012041152	0	43	0.0	-40.06	335.94	9.64	-30.42
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012041153	0	50	0.0	-46.31	366.85	8.00	-38.31
C=CCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1Cl	REAL300012041154	0	45	0.0	-44.20	353.08	10.23	-33.97
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012041155	0	43	0.0	-47.53	337.86	9.89	-37.64
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C2OC(C)CC2=C1	REAL300012041156	0	49	0.0	-39.10	359.53	8.81	-30.29
CC1(C)CC2=CC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC=C2O1	REAL300012041157	0	48	0.0	-45.45	350.28	10.26	-35.19
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012041158	0	43	0.0	-55.77	329.45	7.31	-48.46
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012041159	0	40	0.0	-53.72	329.27	8.69	-45.03
CC1=CC=CC(C2=NNC=C2C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041160	0	47	0.0	-48.53	348.89	9.63	-38.90
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012041161	0	40	0.0	-49.61	328.95	10.47	-39.14
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300012041162	0	40	0.0	-49.32	333.51	10.56	-38.76
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012041163	0	37	0.0	-35.47	306.67	10.03	-25.44
CC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(Br)=C1	REAL300012041164	0	40	0.0	-34.24	310.38	10.19	-24.05
CC(C)COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041165	0	50	0.0	-44.13	365.88	10.74	-33.39
COCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041166	0	48	0.0	-45.60	357.90	8.51	-37.09
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041167	0	52	0.0	-49.49	401.53	12.57	-36.92
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012041168	0	41	0.0	-48.41	328.08	8.99	-39.42
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012041169	0	45	0.0	-50.78	365.84	10.33	-40.45
CN1N=C(C2=CC=CC=C2)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1Cl	REAL300012041170	0	47	0.0	-37.77	365.34	10.46	-27.31
COC1=CC2=C(C=C1C[NH2+][C@@H]1C[C@H]3C[C@@H]1C[C@H]3C(=O)[O-])OCO2	REAL300012041171	0	44	0.0	-44.78	326.96	6.89	-37.89
CC(C)COC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041172	0	50	0.0	-50.24	365.75	10.59	-39.65
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=CC(Br)=C1	REAL300012041173	0	36	0.0	-46.19	289.06	7.84	-38.35
CN1N=NC2=CC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC=C21	REAL300012041174	0	42	0.0	-62.03	317.15	7.39	-54.64
CC1(C)CC2=CC=CC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=C2O1	REAL300012041175	0	48	0.0	-37.17	350.49	10.17	-27.00
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012041176	0	42	0.0	-39.92	330.07	9.48	-30.44
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012041177	0	47	0.0	-40.40	352.20	10.02	-30.38
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012041178	0	44	0.0	-56.77	331.29	10.21	-46.56
CC1=C(Br)SC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041179	0	37	0.0	-48.88	304.64	9.31	-39.57
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012041180	0	42	0.0	-37.20	331.36	10.06	-27.14
CC1=NC2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2C=C1	REAL300012041181	0	45	0.0	-46.86	335.58	9.99	-36.87
COC1=CC=C(OC2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)C=C1	REAL300012041182	0	52	0.0	-50.42	391.82	11.03	-39.39
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012041183	0	39	0.0	-39.92	296.69	7.94	-31.98
CC1=CC(C2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)=CC(C)=C1	REAL300012041184	0	53	0.0	-47.88	390.69	13.66	-34.22
CC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012041185	0	46	0.0	-54.42	347.10	12.40	-42.02
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012041186	0	40	0.0	-50.93	307.29	9.61	-41.32
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012041187	0	44	0.0	-46.52	337.29	9.56	-36.96
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041188	0	47	0.0	-45.73	367.94	11.19	-34.54
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012041189	0	51	0.0	-51.65	390.47	12.22	-39.43
CCCCOC1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041190	0	50	0.0	-37.33	365.79	10.75	-26.58
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012041191	0	48	0.0	-48.53	373.82	13.03	-35.50
CC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012041192	0	47	0.0	-40.79	349.30	9.86	-30.93
COC1=CC(C)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012041193	0	48	0.0	-48.99	346.66	8.75	-40.24
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1	REAL300012041194	0	43	0.0	-38.52	369.74	10.78	-27.74
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041195	0	43	0.0	-59.31	337.06	9.90	-49.41
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041196	0	43	0.0	-46.35	329.98	6.66	-39.69
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041197	0	46	0.0	-41.51	355.93	8.45	-33.06
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012041198	0	41	0.0	-47.80	318.61	8.06	-39.74
CC(C)SC1=CC(Br)=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041199	0	47	0.0	-36.72	367.55	11.80	-24.92
CSC1=CC(Br)=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041200	0	41	0.0	-37.59	329.80	10.42	-27.17
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012041201	0	47	0.0	-55.02	363.83	10.67	-44.35
CC1CCC2=C(C1)SC(C[NH2+][C@@H]1C[C@H]3C[C@@H]1C[C@H]3C(=O)[O-])=N2	REAL300012041202	0	46	0.0	-39.88	342.45	9.29	-30.59
CC(C)(C)C1CCC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300012041203	0	55	0.0	-41.91	363.09	11.26	-30.65
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC(F)F)C(Br)=C1	REAL300012041204	0	41	0.0	-48.08	332.47	9.11	-38.97
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012041205	0	50	0.0	-55.25	396.14	11.61	-43.64
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041206	0	51	0.0	-40.28	375.07	11.66	-28.62
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041207	0	51	0.0	-40.51	375.26	11.78	-28.73
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041208	0	50	0.0	-42.15	370.40	10.03	-32.12
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012041209	0	48	0.0	-46.18	356.18	10.69	-35.49
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012041210	0	48	0.0	-36.58	383.73	12.37	-24.21
COC1=CC(Cl)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1Cl	REAL300012041211	0	41	0.0	-43.31	329.91	9.07	-34.24
CC(C)CC1=NC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])S1	REAL300012041212	0	45	0.0	-43.15	340.86	9.20	-33.95
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012041213	0	40	0.0	-47.10	329.91	9.12	-37.98
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012041214	0	40	0.0	-45.46	329.18	9.00	-36.46
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])S2)O1	REAL300012041215	0	43	0.0	-49.55	342.72	8.95	-40.60
CC1=CC(Br)=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041216	0	40	0.0	-44.85	308.92	10.11	-34.74
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012041217	0	37	0.0	-44.28	308.92	9.94	-34.34
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012041218	0	44	0.0	-45.62	336.12	8.88	-36.74
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012041219	0	46	0.0	-40.39	347.75	10.55	-29.84
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012041220	0	40	0.0	-44.70	315.43	9.94	-34.76
COCCOC1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041221	0	48	0.0	-38.42	356.43	8.42	-30.00
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012041222	0	37	0.0	-34.86	305.69	10.03	-24.83
COC1=C(Br)C=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041223	0	41	0.0	-37.29	323.01	9.06	-28.23
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012041224	0	44	0.0	-37.09	339.70	9.46	-27.63
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012041225	0	51	0.0	-40.39	382.57	11.71	-28.68
COC1=CC(Br)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(OC)=C1	REAL300012041226	0	45	0.0	-37.43	348.85	8.10	-29.33
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012041227	0	48	0.0	-35.95	373.21	12.15	-23.80
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012041228	0	52	0.0	-38.47	396.63	10.19	-28.28
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041229	0	56	0.0	-43.24	396.72	12.45	-30.79
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012041230	0	44	0.0	-52.25	339.44	10.82	-41.43
CC(C)(C)C1=NC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])S1	REAL300012041231	0	45	0.0	-43.18	339.86	8.81	-34.37
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012041232	0	43	0.0	-50.25	317.38	8.18	-42.07
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(Br)=C1	REAL300012041233	0	37	0.0	-42.37	294.08	9.48	-32.89
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012041234	0	44	0.0	-52.30	331.62	10.08	-42.22
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012041235	0	47	0.0	-46.97	371.55	11.10	-35.87
CC(=O)NC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041236	0	44	0.0	-46.88	329.60	7.83	-39.05
CCN(CC)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041237	0	51	0.0	-45.04	368.76	11.26	-33.78
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Br)C=C1	REAL300012041238	0	37	0.0	-46.95	294.88	9.58	-37.37
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(OC)=C1OC	REAL300012041239	0	49	0.0	-51.14	364.99	8.06	-43.08
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012041240	0	41	0.0	-41.62	310.70	8.51	-33.11
COC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1OC	REAL300012041241	0	45	0.0	-38.11	331.74	8.28	-29.83
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012041242	0	37	0.0	-35.41	302.11	9.93	-25.48
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012041243	0	50	0.0	-47.30	357.05	7.72	-39.58
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012041244	0	45	0.0	-46.59	331.63	8.21	-38.38
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(OC)=C1	REAL300012041245	0	45	0.0	-38.84	330.40	7.53	-31.31
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012041246	0	40	0.0	-48.66	312.36	9.96	-38.70
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012041247	0	37	0.0	-48.95	297.95	9.73	-39.22
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012041248	0	37	0.0	-44.55	304.71	9.84	-34.71
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041249	0	58	0.0	-45.46	423.29	14.06	-31.40
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012041250	0	41	0.0	-49.62	312.17	8.60	-41.02
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012041251	0	40	0.0	-40.85	301.40	9.94	-30.91
CCCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041252	0	50	0.0	-46.07	367.27	10.82	-35.25
CC(C)CCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041253	0	53	0.0	-45.94	384.84	11.35	-34.59
CCCCCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041254	0	56	0.0	-44.08	410.27	12.39	-31.69
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012041255	0	48	0.0	-51.41	362.01	11.73	-39.68
CCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(OCCC)=C1	REAL300012041256	0	57	0.0	-37.65	417.11	10.99	-26.66
CCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012041257	0	48	0.0	-48.49	353.48	9.14	-39.35
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012041258	0	40	0.0	-52.44	311.53	9.86	-42.58
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(OC)=C1OC	REAL300012041259	0	49	0.0	-41.50	360.11	7.97	-33.53
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012041260	0	55	0.0	-49.63	413.39	12.19	-37.44
COC1=CC=C(Br)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041261	0	41	0.0	-41.55	322.57	8.91	-32.64
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(Br)=C1O	REAL300012041262	0	42	0.0	-52.60	333.82	6.71	-45.89
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012041263	0	47	0.0	-46.02	347.13	12.43	-33.59
COC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012041264	0	47	0.0	-41.43	343.18	10.36	-31.07
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012041265	0	37	0.0	-37.82	298.34	9.51	-28.31
COC1=CC(OC)=C(OC)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041266	0	49	0.0	-41.85	359.66	7.57	-34.28
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041267	0	47	0.0	-47.67	367.60	10.95	-36.72
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012041268	0	51	0.0	-51.91	384.05	12.15	-39.76
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1Br	REAL300012041269	0	37	0.0	-35.35	289.08	9.42	-25.93
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300012041270	0	44	0.0	-44.12	353.04	10.86	-33.26
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012041271	0	40	0.0	-45.91	315.32	8.11	-37.80
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C(C)(C)C)=N1	REAL300012041272	0	49	0.0	-40.86	342.78	9.08	-31.78
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1I	REAL300012041273	0	37	0.0	-33.85	294.42	9.86	-23.99
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012041274	0	45	0.0	-46.73	349.92	8.09	-38.64
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012041275	0	54	0.0	-65.77	395.80	12.12	-53.65
CN(CCC#N)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041276	0	49	0.0	-50.33	367.76	10.81	-39.52
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012041277	0	47	0.0	-42.14	352.84	10.61	-31.53
CCOC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1OC	REAL300012041278	0	48	0.0	-37.85	353.65	9.19	-28.66
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OCC(N)=O	REAL300012041279	0	49	0.0	-52.96	370.21	6.18	-46.78
CCNC(=O)COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012041280	0	55	0.0	-52.79	413.63	8.46	-44.33
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC2=C1OCO2	REAL300012041281	0	44	0.0	-55.11	328.38	6.81	-48.30
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012041282	0	43	0.0	-53.67	327.42	8.80	-44.87
COC1=CC2=C(C=C1C[NH2+][C@@H]1C[C@H]3C[C@@H]1C[C@H]3C(=O)[O-])OC(C)C2	REAL300012041283	0	49	0.0	-44.17	358.18	8.89	-35.28
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012041284	0	53	0.0	-59.53	403.58	5.90	-53.63
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012041285	0	49	0.0	-61.57	390.45	6.75	-54.82
CCN(C(C)=O)C1=NC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CS1	REAL300012041286	0	46	0.0	-65.20	351.27	8.70	-56.50
COC1=CC=CC(OC)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041287	0	45	0.0	-38.25	329.44	7.59	-30.66
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(I)=C1	REAL300012041288	0	37	0.0	-41.83	300.57	9.96	-31.87
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(I)C=C1	REAL300012041289	0	37	0.0	-46.69	301.37	10.05	-36.64
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012041290	0	47	0.0	-41.45	367.88	9.72	-31.73
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041291	0	50	0.0	-34.78	362.37	12.86	-21.92
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041292	0	43	0.0	-54.37	333.62	6.54	-47.83
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012041293	0	47	0.0	-45.30	363.67	12.91	-32.39
COC1=CC=C(Cl)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041294	0	41	0.0	-41.51	318.01	8.80	-32.71
COC(=O)C1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CN1C	REAL300012041295	0	44	0.0	-41.10	332.30	9.21	-31.89
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012041296	0	50	0.0	-51.25	376.82	10.46	-40.79
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Br)C=N1	REAL300012041297	0	36	0.0	-52.91	289.55	7.64	-45.27
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012041298	0	46	0.0	-45.53	346.68	6.34	-39.19
C#CCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041299	0	46	0.0	-45.82	351.55	10.57	-35.25
CC1=NN(C)C2=NC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C12	REAL300012041300	0	45	0.0	-50.76	339.44	8.66	-42.10
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012041301	0	40	0.0	-54.86	316.49	9.88	-44.98
CCOCC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OC	REAL300012041302	0	51	0.0	-51.14	376.38	9.08	-42.06
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012041303	0	40	0.0	-54.05	310.22	8.51	-45.54
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012041304	0	46	0.0	-52.81	363.69	8.33	-44.48
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(C(F)(F)F)=CC=C1Br	REAL300012041305	0	40	0.0	-41.87	326.95	10.30	-31.57
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Br)C=C1C(F)(F)F	REAL300012041306	0	40	0.0	-41.83	322.68	10.56	-31.27
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(F)C=CC=C1Br	REAL300012041307	0	37	0.0	-38.04	297.08	9.40	-28.64
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC=C1Br	REAL300012041308	0	34	0.0	-35.61	281.53	8.45	-27.16
CC(C)COC1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041309	0	50	0.0	-37.35	364.40	10.66	-26.69
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012041310	0	43	0.0	-38.47	321.53	8.76	-29.71
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012041311	0	37	0.0	-47.34	300.87	9.62	-37.72
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(F)=C1Br	REAL300012041312	0	37	0.0	-41.43	294.40	9.33	-32.10
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(Br)=C1F	REAL300012041313	0	37	0.0	-54.54	296.82	9.58	-44.96
CC(C)(C)C1=NC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300012041314	0	47	0.0	-49.42	344.66	8.84	-40.58
CS(=O)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041315	0	42	0.0	-65.80	325.79	7.55	-58.25
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C)=C1OC	REAL300012041316	0	48	0.0	-44.24	349.06	9.00	-35.24
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012041317	0	34	0.0	-34.86	293.86	9.02	-25.84
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012041318	0	36	0.0	-47.82	299.08	7.43	-40.39
CS(=O)(=O)C1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041319	0	43	0.0	-61.36	333.50	6.38	-54.98
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012041320	0	50	0.0	-44.84	357.38	12.15	-32.69
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012041321	0	44	0.0	-46.34	330.49	10.68	-35.66
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=NN1C1CCCC1	REAL300012041322	0	47	0.0	-50.57	338.81	9.23	-41.34
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041323	0	47	0.0	-38.96	346.76	10.66	-28.30
COC1=CC(C)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C)=N1	REAL300012041324	0	46	0.0	-47.80	334.02	6.66	-41.14
COC1=CC=CC(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041325	0	41	0.0	-36.44	315.39	8.70	-27.74
CCC1=CC(OC)=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041326	0	47	0.0	-43.29	335.79	9.45	-33.84
CC1=NC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])N1C1=CC=CC=C1	REAL300012041327	0	47	0.0	-45.43	351.70	11.10	-34.33
CCCN1N=C(C)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1C	REAL300012041328	0	49	0.0	-48.77	356.32	9.28	-39.49
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC2=CC=CC=C21	REAL300012041329	0	47	0.0	-47.02	347.39	10.63	-36.39
CCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1F	REAL300012041330	0	44	0.0	-45.25	330.38	9.17	-36.08
COC1=CC=CC2=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=CC=C12	REAL300012041331	0	47	0.0	-44.64	342.25	10.51	-34.13
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1C#N	REAL300012041332	0	42	0.0	-51.54	322.59	8.73	-42.81
CC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041333	0	47	0.0	-44.26	337.78	10.87	-33.39
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012041334	0	36	0.0	-41.85	298.14	7.19	-34.66
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012041335	0	44	0.0	-47.91	336.69	7.17	-40.74
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(Br)=C1	REAL300012041336	0	41	0.0	-35.06	318.44	8.81	-26.25
CC1=CC(Br)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])S1	REAL300012041337	0	37	0.0	-37.59	304.68	9.32	-28.27
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041338	0	52	0.0	-58.67	382.49	11.57	-47.10
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041339	0	47	0.0	-37.23	357.66	11.30	-25.93
CN1C(=O)CCC2=CC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC=C21	REAL300012041340	0	48	0.0	-51.21	348.75	9.91	-41.30
COC1=CC=CC(SC2=CC=CC=C2C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041341	0	52	0.0	-38.60	398.79	12.25	-26.35
CC1=CC=C(OC(F)F)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041342	0	44	0.0	-40.75	332.26	9.32	-31.43
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012041343	0	43	0.0	-45.19	354.76	10.57	-34.62
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012041344	0	43	0.0	-46.64	342.55	10.29	-36.35
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041345	0	54	0.0	-40.57	397.11	12.45	-28.12
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012041346	0	48	0.0	-39.11	371.35	11.40	-27.71
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012041347	0	52	0.0	-54.56	399.86	9.30	-45.26
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012041348	0	42	0.0	-50.36	329.90	10.01	-40.35
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012041349	0	46	0.0	-43.35	344.91	9.66	-33.69
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012041350	0	43	0.0	-50.82	346.02	10.12	-40.70
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012041351	0	40	0.0	-50.80	320.64	7.97	-42.83
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012041352	0	37	0.0	-44.68	308.92	9.94	-34.74
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012041353	0	49	0.0	-44.45	382.60	11.54	-32.91
CN1C=C(C2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)C=N1	REAL300012041354	0	47	0.0	-48.53	353.36	10.24	-38.29
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012041355	0	48	0.0	-48.40	368.84	11.88	-36.52
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012041356	0	47	0.0	-41.02	358.55	10.09	-30.93
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012041357	0	48	0.0	-45.29	372.97	10.43	-34.86
CN(C)C(=O)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])N1	REAL300012041358	0	45	0.0	-56.35	330.81	7.20	-49.15
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300012041359	0	51	0.0	-45.76	383.36	12.17	-33.59
CCC1=NN(C)C(CC)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041360	0	49	0.0	-44.33	345.15	8.76	-35.57
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012041361	0	43	0.0	-43.48	327.50	9.15	-34.33
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012041362	0	44	0.0	-47.35	336.79	7.08	-40.27
CC1=CC=CC=C1N1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])N=N1	REAL300012041363	0	46	0.0	-57.71	347.05	9.74	-47.97
CN1N=C(Br)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041364	0	37	0.0	-43.29	290.76	6.97	-36.32
CN1C=C(C2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])S2)C=N1	REAL300012041365	0	44	0.0	-49.36	347.10	9.56	-39.80
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012041366	0	49	0.0	-51.46	351.97	9.91	-41.55
CCOC1=C(Cl)C=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041367	0	44	0.0	-38.08	340.55	9.83	-28.25
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012041368	0	37	0.0	-44.68	305.44	9.73	-34.95
COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041369	0	48	0.0	-51.35	358.98	9.18	-42.17
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012041370	0	41	0.0	-41.08	323.15	8.81	-32.27
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012041371	0	44	0.0	-53.04	334.09	9.95	-43.09
CC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012041372	0	50	0.0	-44.15	369.84	11.03	-33.12
CC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012041373	0	50	0.0	-36.78	365.88	10.34	-26.44
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012041374	0	47	0.0	-44.72	370.46	11.23	-33.49
CC1=CC(Br)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1Cl	REAL300012041375	0	40	0.0	-40.16	323.68	10.40	-29.76
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012041376	0	47	0.0	-42.03	372.15	10.85	-31.18
CC(C)(C)C1=CN=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])S1	REAL300012041377	0	45	0.0	-39.10	338.66	8.63	-30.47
N#CCCN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012041378	0	50	0.0	-44.72	389.57	9.65	-35.07
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012041379	0	43	0.0	-34.84	333.70	12.58	-22.26
COC(=O)C1=C(C)N(C)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041380	0	47	0.0	-42.76	346.96	9.30	-33.46
COCCCN1N=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041381	0	47	0.0	-53.72	347.88	7.10	-46.62
CC1=CC(F)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(Cl)=C1	REAL300012041382	0	40	0.0	-39.66	312.05	10.03	-29.63
COCCOCC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041383	0	51	0.0	-49.82	384.18	8.91	-40.91
CSCC1=CN=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])S1	REAL300012041384	0	40	0.0	-40.54	324.21	8.03	-32.51
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012041385	0	37	0.0	-32.56	292.88	9.02	-23.54
CC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012041386	0	43	0.0	-52.35	343.28	11.42	-40.93
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012041387	0	51	0.0	-42.63	396.21	11.28	-31.35
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(F)C=C1I	REAL300012041388	0	37	0.0	-33.79	300.70	10.03	-23.76
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012041389	0	40	0.0	-56.29	312.76	8.04	-48.25
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])O1	REAL300012041390	0	47	0.0	-37.92	357.04	9.45	-28.47
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012041391	0	36	0.0	-43.61	300.86	7.97	-35.64
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(OC(F)F)=CC=C1Br	REAL300012041392	0	41	0.0	-42.98	327.94	8.85	-34.13
COC(=O)C1=C(C)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CN1	REAL300012041393	0	44	0.0	-43.25	330.75	7.96	-35.29
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])S2)C=C1C	REAL300012041394	0	49	0.0	-47.61	376.92	11.11	-36.50
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041395	0	47	0.0	-48.34	355.60	10.83	-37.51
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041396	0	47	0.0	-46.54	363.31	11.36	-35.18
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041397	0	50	0.0	-46.89	372.68	11.35	-35.54
CC(C)(C#N)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041398	0	47	0.0	-46.42	350.26	10.91	-35.51
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012041399	0	43	0.0	-54.15	322.98	8.37	-45.78
COC1=CC(OC)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1F	REAL300012041400	0	45	0.0	-44.93	336.72	7.75	-37.18
COC1=CC(F)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012041401	0	45	0.0	-50.43	331.94	8.16	-42.27
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300012041402	0	51	0.0	-45.83	394.18	12.38	-33.45
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041403	0	50	0.0	-47.21	373.49	11.29	-35.92
CCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C)=C1	REAL300012041404	0	50	0.0	-44.43	360.46	10.52	-33.91
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012041405	0	39	0.0	-49.84	304.80	8.73	-41.11
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012041406	0	40	0.0	-50.61	322.16	10.16	-40.45
CCC1=C2OC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC2=CC=C1	REAL300012041407	0	46	0.0	-51.33	343.77	10.96	-40.37
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012041408	0	45	0.0	-36.61	338.84	10.02	-26.59
CCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C)=C1	REAL300012041409	0	47	0.0	-44.58	338.97	9.72	-34.86
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012041410	0	41	0.0	-40.15	317.34	8.66	-31.49
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012041411	0	41	0.0	-45.93	317.38	8.64	-37.29
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012041412	0	50	0.0	-44.22	357.01	12.08	-32.14
CN1C=C(C2=NN(C)C=C2C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300012041413	0	47	0.0	-49.23	355.60	8.24	-40.99
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012041414	0	43	0.0	-47.13	354.77	10.57	-36.56
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012041415	0	37	0.0	-42.47	303.52	9.16	-33.31
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012041416	0	37	0.0	-54.55	294.71	8.23	-46.32
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012041417	0	37	0.0	-33.28	295.26	9.20	-24.08
CN(C)C1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=CC(F)=C1F	REAL300012041418	0	45	0.0	-39.85	333.26	8.99	-30.86
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CC=C(Br)S1	REAL300012041419	0	41	0.0	-35.02	338.27	8.86	-26.16
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012041420	0	37	0.0	-40.87	294.48	9.41	-31.46
CC(C)OC1=CC(Cl)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1Cl	REAL300012041421	0	47	0.0	-42.90	369.82	10.62	-32.28
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012041422	0	49	0.0	-46.99	358.53	8.58	-38.41
CN(C)C1=CC(F)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1F	REAL300012041423	0	45	0.0	-47.73	334.19	8.50	-39.23
COC(=O)C1=C2CCCCN2C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041424	0	51	0.0	-54.05	374.42	10.56	-43.49
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012041425	0	44	0.0	-49.84	341.72	9.26	-40.58
C=CCOC1=C(Cl)C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012041426	0	49	0.0	-53.40	386.62	10.30	-43.10
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC1CC1	REAL300012041427	0	49	0.0	-48.29	362.88	9.90	-38.39
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041428	0	40	0.0	-46.00	312.48	7.43	-38.57
COCC(C)OC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041429	0	51	0.0	-44.97	374.51	9.22	-35.75
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300012041430	0	51	0.0	-43.15	392.83	12.46	-30.69
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012041431	0	44	0.0	-46.53	341.00	11.57	-34.96
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012041432	0	50	0.0	-51.33	374.10	11.05	-40.28
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012041433	0	44	0.0	-38.54	350.31	9.80	-28.74
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1C(C)(C)C	REAL300012041434	0	53	0.0	-44.82	373.46	10.85	-33.97
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012041435	0	50	0.0	-42.82	363.97	12.53	-30.29
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041436	0	45	0.0	-41.98	345.96	8.10	-33.88
CC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=NC=C1Br	REAL300012041437	0	39	0.0	-50.63	307.50	8.33	-42.30
CC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C(Br)C=C1F	REAL300012041438	0	40	0.0	-41.62	314.66	10.03	-31.59
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(O)C=CC=C1Br	REAL300012041439	0	38	0.0	-33.77	298.84	6.75	-27.02
CN1C=C(C2=NC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CS2)C=N1	REAL300012041440	0	43	0.0	-57.06	342.30	7.45	-49.61
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1Cl	REAL300012041441	0	41	0.0	-46.55	318.41	8.87	-37.68
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=NN1CC1CCC1	REAL300012041442	0	47	0.0	-49.74	335.63	9.45	-40.29
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012041443	0	43	0.0	-60.85	332.33	8.92	-51.93
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012041444	0	43	0.0	-42.30	321.91	10.44	-31.86
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(Br)=N1	REAL300012041445	0	37	0.0	-45.44	297.17	7.09	-38.35
CC(=O)NC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041446	0	44	0.0	-56.06	328.92	7.78	-48.28
CN1N=CC2=CC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CN=C21	REAL300012041447	0	42	0.0	-55.71	317.46	8.07	-47.64
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NC=C(Br)C=C1F	REAL300012041448	0	36	0.0	-43.74	294.81	7.67	-36.07
COC1=CC(Cl)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC	REAL300012041449	0	45	0.0	-44.25	342.94	8.43	-35.82
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012041450	0	43	0.0	-47.13	334.62	10.74	-36.39
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041451	0	57	0.0	-47.02	420.68	9.32	-37.70
CN1N=C2CCCCC2=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041452	0	47	0.0	-46.97	334.75	8.84	-38.13
CCOC(=O)C1=C(C)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C(C)N1	REAL300012041453	0	50	0.0	-53.05	369.95	9.32	-43.73
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012041454	0	47	0.0	-51.22	365.86	12.84	-38.38
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012041455	0	37	0.0	-57.13	300.24	9.63	-47.50
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Br)SC=C1	REAL300012041456	0	34	0.0	-40.06	282.21	8.43	-31.63
CCOC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C(F)C=C1OC	REAL300012041457	0	48	0.0	-50.35	353.80	9.07	-41.28
COC1=NC=C(Br)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041458	0	40	0.0	-39.96	320.24	6.31	-33.65
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012041459	0	43	0.0	-45.96	319.42	11.18	-34.78
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CN=C1Br	REAL300012041460	0	36	0.0	-43.40	284.63	7.48	-35.92
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O	REAL300012041461	0	51	0.0	-42.11	392.14	8.50	-33.61
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C(F)C=C1Br	REAL300012041462	0	41	0.0	-51.22	323.14	8.91	-42.31
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012041463	0	37	0.0	-48.81	302.17	9.84	-38.97
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012041464	0	41	0.0	-34.20	324.10	8.95	-25.25
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041465	0	47	0.0	-41.70	347.51	9.95	-31.75
CCOC1=CC(F)=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041466	0	44	0.0	-47.94	330.93	9.23	-38.71
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012041467	0	51	0.0	-49.32	369.64	9.97	-39.35
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012041468	0	41	0.0	-40.26	317.49	8.57	-31.69
CC(C)(C)OC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041469	0	50	0.0	-42.44	353.21	10.01	-32.43
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C(F)C=C1C	REAL300012041470	0	44	0.0	-50.29	325.87	9.00	-41.29
CC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C)=C1Br	REAL300012041471	0	43	0.0	-42.31	324.26	10.64	-31.67
CC1=CC=NC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1Br	REAL300012041472	0	39	0.0	-41.51	304.43	8.11	-33.40
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041473	0	54	0.0	-45.69	395.65	9.19	-36.50
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012041474	0	47	0.0	-42.56	365.45	10.27	-32.29
CC(C)(C)C1=CSC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=N1	REAL300012041475	0	45	0.0	-38.78	338.20	8.43	-30.35
COCCC1=NC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])S1	REAL300012041476	0	43	0.0	-44.99	334.87	6.81	-38.18
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1	REAL300012041479	0	47	0.0	-39.80	378.39	10.63	-29.17
CN1N=C2CCSCC2=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041480	0	45	0.0	-51.33	334.80	8.46	-42.87
CCN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012041481	0	50	0.0	-39.96	373.74	10.90	-29.06
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012041482	0	45	0.0	-44.97	319.66	8.84	-36.13
COCC1=C(C)C=C(C)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1C	REAL300012041483	0	53	0.0	-40.64	368.45	10.06	-30.58
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012041484	0	39	0.0	-50.57	300.94	9.47	-41.10
CCC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(Cl)=C1	REAL300012041485	0	54	0.0	-43.51	417.22	13.60	-29.91
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012041486	0	48	0.0	-39.80	382.12	12.28	-27.52
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041487	0	51	0.0	-36.96	396.07	12.88	-24.08
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1	REAL300012041488	0	48	0.0	-40.49	383.48	12.46	-28.03
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041489	0	54	0.0	-37.41	418.42	13.77	-23.64
CC1=C(Br)C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])S1	REAL300012041490	0	37	0.0	-43.90	304.70	9.33	-34.57
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012041491	0	47	0.0	-46.53	363.73	12.80	-33.73
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(F)=C1I	REAL300012041492	0	37	0.0	-40.32	299.62	9.77	-30.55
CCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1C	REAL300012041493	0	50	0.0	-46.95	365.73	10.64	-36.31
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012041494	0	55	0.0	-41.84	410.82	11.74	-30.10
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1CN1C=CC=N1	REAL300012041495	0	51	0.0	-46.94	385.01	9.86	-37.08
CCOC1=CC=CC(F)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041496	0	44	0.0	-36.21	326.48	9.19	-27.02
CC1=CC=C(Br)C(F)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041497	0	40	0.0	-53.19	315.15	10.12	-43.07
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C)=C1	REAL300012041498	0	54	0.0	-36.87	418.59	13.68	-23.19
CC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012041499	0	42	0.0	-44.34	313.22	10.27	-34.07
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041500	0	45	0.0	-41.53	326.02	10.58	-30.95
COC1=CC=C(CN2C=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])N=N2)C=C1	REAL300012041501	0	50	0.0	-63.42	380.65	8.66	-54.76
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(F)=C1OC	REAL300012041502	0	45	0.0	-38.05	341.05	8.36	-29.69
COC(=O)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(F)=C1	REAL300012041503	0	43	0.0	-39.37	333.02	9.66	-29.71
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012041504	0	47	0.0	-54.75	359.43	9.25	-45.50
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012041505	0	51	0.0	-49.34	384.15	12.29	-37.05
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012041506	0	44	0.0	-38.55	335.81	9.49	-29.06
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1	REAL300012041507	0	48	0.0	-41.13	380.31	12.12	-29.01
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041508	0	55	0.0	-34.81	410.07	12.21	-22.60
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012041509	0	48	0.0	-40.27	382.37	12.29	-27.98
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041510	0	53	0.0	-48.08	385.61	11.81	-36.27
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012041511	0	43	0.0	-52.03	354.37	10.18	-41.85
COC1=CC=C(C2=NC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CS2)C=C1	REAL300012041512	0	47	0.0	-52.62	367.08	8.97	-43.65
CC1=C2C=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=NC2=NN1	REAL300012041514	0	42	0.0	-49.95	315.86	7.39	-42.56
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041515	0	45	0.0	-54.59	346.37	5.60	-48.99
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041516	0	37	0.0	-53.57	305.66	8.20	-45.37
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041517	1	57	0.0	-43.01	389.67	11.22	-31.79
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1	REAL300012041518	0	51	0.0	-49.48	402.07	12.26	-37.22
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012041519	0	43	0.0	-53.21	329.09	7.26	-45.95
CC1=NN2C(=NC(C)=C2C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])S1	REAL300012041520	0	42	0.0	-42.62	324.03	8.12	-34.50
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])S1	REAL300012041521	0	48	0.0	-49.56	369.07	9.31	-40.25
CCCC(C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1=CC=CC=C1	REAL300012041522	0	49	0.0	-39.28	350.00	11.57	-27.71
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012041523	0	42	0.0	-38.98	326.78	9.78	-29.20
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012041524	0	37	0.0	-49.15	303.88	9.32	-39.83
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012041525	0	54	0.0	-39.13	406.85	9.82	-29.31
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012041526	0	39	0.0	-40.69	325.97	9.08	-31.61
CN(C)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C(F)(F)F)=C1	REAL300012041527	0	48	0.0	-41.79	352.78	10.33	-31.46
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041528	0	47	0.0	-40.93	355.49	11.49	-29.44
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041529	0	46	0.0	-51.13	362.74	10.45	-40.68
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012041530	0	56	0.0	-46.95	408.97	12.27	-34.68
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012041531	0	40	0.0	-54.77	331.67	10.32	-44.45
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1	REAL300012041532	0	43	0.0	-63.20	342.02	9.51	-53.69
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012041533	0	40	0.0	-58.60	321.09	9.99	-48.61
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041534	0	48	0.0	-45.48	359.63	10.26	-35.22
COCC1=CC=CC=C1C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041535	0	51	0.0	-45.84	371.02	10.45	-35.39
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041536	0	47	0.0	-36.86	344.52	9.68	-27.18
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012041537	0	46	0.0	-48.92	348.52	10.64	-38.28
COC1=CC=C(N2C=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=N2)C=C1	REAL300012041538	0	48	0.0	-45.10	361.24	9.52	-35.58
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041539	0	52	0.0	-46.96	395.03	12.35	-34.61
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012041540	0	39	0.0	-57.47	312.41	6.99	-50.48
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=NC=C1Br	REAL300012041541	0	36	0.0	-43.15	284.49	7.58	-35.57
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])S1	REAL300012041542	0	40	0.0	-57.14	326.10	5.70	-51.44
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012041543	0	57	0.0	-42.57	416.36	12.83	-29.74
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012041544	0	43	0.0	-44.54	325.66	9.49	-35.05
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(F)=C1	REAL300012041545	0	42	0.0	-45.19	332.43	3.96	-41.23
CC1=C(Br)C=NC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041546	0	39	0.0	-45.93	301.49	8.36	-37.57
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041547	0	40	0.0	-44.52	307.36	7.22	-37.30
CN1N=CC(C2CCC2)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041548	0	47	0.0	-48.77	336.98	8.80	-39.97
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012041549	0	43	0.0	-54.53	322.85	8.13	-46.40
COC1=CC=C(C2=CC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300012041550	0	53	0.0	-56.60	406.68	7.90	-48.70
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012041551	0	48	0.0	-52.98	349.21	7.41	-45.57
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21	REAL300012041552	0	51	0.0	-55.93	392.08	12.19	-43.74
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012041553	0	40	0.0	-52.56	305.60	6.51	-46.05
CN(C)C1=CC=C(C#N)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041554	0	46	0.0	-44.16	344.72	9.46	-34.70
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012041555	0	47	0.0	-62.66	343.79	6.47	-56.19
CC1=CC(C)=C(C=CC[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C)=C1	REAL300012041556	0	50	0.0	-45.09	363.34	12.05	-33.04
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012041557	0	57	0.0	-47.02	413.68	7.81	-39.21
CC(C)(C)OC(=O)NC(C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])CC(F)F	REAL300012041558	0	53	0.0	-55.79	383.39	7.72	-48.07
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012041559	0	47	0.0	-63.41	346.93	6.79	-56.62
CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041560	0	45	0.0	-40.41	330.63	9.10	-31.31
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012041561	0	42	0.0	-59.10	320.31	9.46	-49.64
CC1=CC(C)=C(C=CC[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1C	REAL300012041562	0	50	0.0	-44.15	360.45	11.91	-32.24
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041563	0	42	0.0	-55.87	327.81	3.91	-51.96
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012041564	0	46	0.0	-36.72	323.42	9.33	-27.39
CN1C=CC(C2=NC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CS2)=N1	REAL300012041565	0	43	0.0	-62.99	342.40	7.34	-55.65
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2CCCC2)=N1	REAL300012041566	0	50	0.0	-44.19	361.19	9.78	-34.41
CC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1Br	REAL300012041567	0	40	0.0	-34.54	307.46	10.13	-24.41
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012041568	0	48	0.0	-52.33	368.38	11.80	-40.53
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012041569	0	45	0.0	-48.35	326.49	9.50	-38.85
CN(C)C(=O)C1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041570	0	47	0.0	-64.90	343.14	8.69	-56.21
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012041571	0	41	0.0	-48.66	319.48	7.89	-40.77
CC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C2CCCCC2=N1	REAL300012041572	0	49	0.0	-46.56	345.54	10.20	-36.36
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012041573	0	52	0.0	-35.98	366.77	11.07	-24.91
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012041574	0	36	0.0	-57.97	298.44	6.98	-50.99
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012041575	0	40	0.0	-45.62	312.23	9.84	-35.78
COC(=O)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1C	REAL300012041576	0	46	0.0	-50.60	343.72	10.21	-40.39
CC1=C(Cl)C=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1Cl	REAL300012041577	0	40	0.0	-36.97	318.57	10.41	-26.56
CC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C(C)C=C1I	REAL300012041578	0	43	0.0	-43.08	333.08	11.27	-31.81
N#CC1=CC=C(Br)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041579	0	38	0.0	-44.95	309.03	9.69	-35.26
CC1CC2=CC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC=C2O1	REAL300012041580	0	45	0.0	-48.75	330.08	9.54	-39.21
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012041581	0	40	0.0	-38.96	304.74	6.37	-32.59
CSCC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041582	0	44	0.0	-46.62	339.76	10.84	-35.78
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012041583	0	47	0.0	-49.73	345.25	9.77	-39.96
CN1N=C2CCOCC2=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041584	0	45	0.0	-51.21	323.81	6.34	-44.87
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041585	0	50	0.0	-37.55	375.14	10.44	-27.11
COC(=O)COC1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041586	0	47	0.0	-38.06	357.31	9.82	-28.24
CN(C)C(=O)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041587	0	47	0.0	-48.17	345.20	8.91	-39.26
CCNC(=O)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041588	0	47	0.0	-48.79	351.54	8.08	-40.71
CC(C)(C)C1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041589	0	49	0.0	-40.69	327.00	11.30	-29.39
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C2CCCCCN12	REAL300012041590	0	47	0.0	-39.78	325.36	9.17	-30.61
COC1=CC=C2SC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC2=C1	REAL300012041591	0	44	0.0	-47.36	339.61	9.80	-37.56
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041592	0	53	0.0	-57.96	385.94	10.69	-47.27
CCN1CCC2=CC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC=C21	REAL300012041593	0	49	0.0	-46.43	351.21	9.40	-37.03
CCN(C)C(=O)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041594	0	50	0.0	-49.21	365.98	9.79	-39.42
CSC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1Cl	REAL300012041595	0	41	0.0	-43.86	328.02	10.34	-33.52
CC1=NN(C2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C(C)=C2)C=C1	REAL300012041596	0	50	0.0	-46.86	367.96	11.27	-35.59
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012041597	0	43	0.0	-46.48	344.12	10.89	-35.59
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041598	0	47	0.0	-46.33	363.67	11.11	-35.22
CCC1=CC(Br)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])S1	REAL300012041599	0	40	0.0	-37.44	326.18	10.10	-27.34
CC1=NN(C2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)C=C1Cl	REAL300012041600	0	47	0.0	-47.82	370.55	11.24	-36.58
COC(=O)C1=CC2=C(C=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])O2)N1	REAL300012041601	0	44	0.0	-57.48	341.58	7.82	-49.66
COCCOC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])O1	REAL300012041602	0	45	0.0	-50.46	342.03	7.62	-42.84
CC(C)(C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012041603	0	46	0.0	-43.87	342.29	11.25	-32.62
CC1=NN(C(C)C)C(C)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041604	0	49	0.0	-48.74	354.38	9.20	-39.54
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012041605	0	37	0.0	-46.48	311.19	10.05	-36.43
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C)=C1	REAL300012041606	0	53	0.0	-34.55	383.52	13.51	-21.04
COC1=CC=CC(C2=CSC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=N2)=C1	REAL300012041607	0	47	0.0	-41.84	365.42	8.94	-32.90
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041608	0	57	0.0	-49.84	421.53	9.41	-40.43
COC(=O)C1=C2COCCN2C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041609	0	49	0.0	-55.11	366.20	8.12	-46.99
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012041610	0	54	0.0	-48.98	386.44	10.84	-38.14
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041611	0	47	0.0	-49.36	343.56	11.86	-37.50
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012041612	0	40	0.0	-45.94	334.75	10.58	-35.36
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012041613	0	41	0.0	-34.23	329.10	7.92	-26.31
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012041614	0	47	0.0	-50.07	345.07	5.33	-44.74
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012041615	0	37	0.0	-34.84	299.57	9.72	-25.12
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012041616	0	37	0.0	-55.76	299.65	9.61	-46.15
CC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012041617	0	49	0.0	-44.80	355.67	10.56	-34.24
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012041618	0	46	0.0	-60.94	351.15	9.36	-51.58
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])CC1	REAL300012041619	0	57	0.0	-44.89	396.64	10.05	-34.84
CC1=CC(Br)=CN=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041620	0	39	0.0	-35.34	301.59	8.04	-27.30
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012041621	0	43	0.0	-58.11	346.68	6.79	-51.32
CC1OC2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2C1C	REAL300012041622	0	48	0.0	-46.77	350.79	10.15	-36.62
CC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OC(F)F	REAL300012041623	0	44	0.0	-49.24	332.22	9.34	-39.90
CC1=NC(Cl)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1Br	REAL300012041624	0	39	0.0	-43.51	319.22	8.50	-35.01
CC(C)CC1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041625	0	49	0.0	-42.06	345.22	11.40	-30.66
CN1N=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1S(C)(=O)=O	REAL300012041626	0	43	0.0	-48.21	325.22	4.22	-43.99
CCOC1=CC(Br)=CC(F)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041627	0	44	0.0	-42.97	349.80	9.86	-33.11
CC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])NN=C1C(F)(F)F	REAL300012041628	0	40	0.0	-48.35	308.52	6.89	-41.46
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012041629	0	37	0.0	-49.13	294.20	6.28	-42.85
CS(=O)(=O)C1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=CS1	REAL300012041630	0	40	0.0	-41.16	316.83	5.91	-35.25
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)O1	REAL300012041631	0	54	0.0	-50.57	422.53	11.15	-39.42
CC1=C(Br)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C(C)S1	REAL300012041632	0	40	0.0	-38.00	318.00	9.60	-28.40
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012041633	0	47	0.0	-43.74	358.56	10.09	-33.65
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012041634	0	44	0.0	-44.13	338.22	11.27	-32.86
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012041635	0	45	0.0	-49.05	334.37	9.92	-39.13
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012041636	0	41	0.0	-37.86	324.23	8.79	-29.07
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012041637	0	43	0.0	-51.56	344.00	10.75	-40.81
CC1=NC=CN1C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C)=C1	REAL300012041638	0	50	0.0	-50.32	365.94	11.80	-38.52
CC1=C(C)N(C2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)C=N1	REAL300012041639	0	50	0.0	-52.37	373.47	12.65	-39.72
CNC(=O)C1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041640	0	44	0.0	-63.11	329.27	7.14	-55.97
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012041641	0	51	0.0	-44.45	367.76	12.90	-31.55
CCNC(=O)C1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041643	0	47	0.0	-62.99	350.76	7.98	-55.01
CC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012041644	0	43	0.0	-51.84	327.53	10.09	-41.75
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041645	0	47	0.0	-46.21	348.45	10.03	-36.18
CC(C)(C)C1=CN=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041646	0	48	0.0	-48.05	344.29	9.51	-38.54
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012041647	0	40	0.0	-45.19	330.61	10.98	-34.21
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012041648	0	40	0.0	-55.84	315.54	7.94	-47.90
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012041649	0	47	0.0	-41.86	345.83	10.97	-30.89
CN1C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=NC2=C1CCCC2	REAL300012041650	0	47	0.0	-35.38	332.61	9.62	-25.76
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1	REAL300012041651	0	44	0.0	-51.06	348.79	9.58	-41.48
COC1=NC(Cl)=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041652	0	40	0.0	-38.56	315.46	6.06	-32.50
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C(F)(F)F)=N1	REAL300012041653	0	40	0.0	-36.28	311.23	7.71	-28.57
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012041654	0	40	0.0	-38.37	311.73	9.87	-28.50
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC2=C1COCC2	REAL300012041655	0	45	0.0	-44.12	319.52	8.86	-35.26
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041656	0	50	0.0	-46.07	387.40	11.67	-34.40
CCOC1=CC=C(Cl)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041657	0	44	0.0	-40.68	339.86	9.73	-30.95
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1	REAL300012041658	0	44	0.0	-40.22	350.54	9.34	-30.88
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NC2=C(COCC2)S1	REAL300012041659	0	41	0.0	-39.53	312.43	6.35	-33.18
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012041660	0	44	0.0	-52.34	333.91	9.03	-43.31
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Br)C=CC=C1OC(F)F	REAL300012041661	0	41	0.0	-35.67	329.18	9.06	-26.61
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012041662	0	39	0.0	-58.76	307.78	9.68	-49.08
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012041663	0	50	0.0	-50.01	357.83	9.98	-40.03
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012041664	0	44	0.0	-41.82	346.57	10.44	-31.38
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012041665	0	37	0.0	-42.32	305.22	9.60	-32.72
CN(CCO)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300012041666	0	48	0.0	-45.88	352.75	6.49	-39.39
COC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012041667	0	53	0.0	-38.29	364.89	10.85	-27.44
CN1C=C(Br)N=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041668	0	37	0.0	-35.73	291.72	7.66	-28.07
COC1=CC(C)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1O	REAL300012041669	0	45	0.0	-51.85	328.74	6.61	-45.24
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012041670	0	43	0.0	-63.66	328.02	8.42	-55.24
CN1C(=O)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC2=CC=CC=C21	REAL300012041671	0	46	0.0	-61.19	338.59	10.09	-51.10
CC1=CC(C)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C)=C1Br	REAL300012041672	0	46	0.0	-43.60	339.41	10.84	-32.76
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012041673	0	44	0.0	-47.22	330.26	8.89	-38.33
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012041674	0	50	0.0	-42.81	363.78	12.49	-30.32
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041675	0	47	0.0	-50.04	369.82	9.72	-40.32
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012041676	0	37	0.0	-43.93	299.68	9.56	-34.37
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041677	0	54	0.0	-54.06	394.91	9.11	-44.95
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012041678	0	41	0.0	-54.87	319.39	8.29	-46.58
CC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012041679	0	40	0.0	-33.12	309.01	8.59	-24.53
CC(F)(F)C1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041680	0	43	0.0	-51.63	326.01	10.39	-41.24
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012041681	0	43	0.0	-53.21	336.17	9.71	-43.50
CN1C=C(C2=NNC=C2C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=N1	REAL300012041682	0	44	0.0	-48.83	332.57	6.94	-41.89
CCCN1N=C(C)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1Cl	REAL300012041683	0	46	0.0	-38.53	352.11	9.08	-29.45
CC(C)(C#N)C1=NC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])S1	REAL300012041684	0	43	0.0	-51.38	339.69	8.36	-43.02
COC1=CC=C(Br)C(F)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041685	0	41	0.0	-45.21	326.90	9.01	-36.20
N#CC1=CC(F)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(Br)=C1	REAL300012041686	0	38	0.0	-42.13	315.36	9.83	-32.30
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012041687	0	44	0.0	-47.07	339.16	11.38	-35.69
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012041688	0	43	0.0	-42.99	330.58	11.65	-31.34
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012041689	0	37	0.0	-54.45	308.77	10.02	-44.43
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012041690	0	54	0.0	-37.09	382.27	11.70	-25.39
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012041691	0	48	0.0	-49.34	380.11	12.36	-36.98
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012041692	0	57	0.0	-44.17	402.93	12.38	-31.79
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012041693	0	51	0.0	-38.65	399.45	12.73	-25.92
COC1=CC=CC(OC2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2)=C1	REAL300012041694	0	52	0.0	-50.49	392.89	11.15	-39.34
CCN1CCCC2=CC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=CC=C21	REAL300012041695	0	52	0.0	-45.74	362.06	10.01	-35.73
COCC1=CN=C(OC)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041696	0	47	0.0	-41.56	352.66	5.38	-36.18
CN1N=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1Br	REAL300012041697	0	37	0.0	-40.44	295.47	7.18	-33.26
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041698	0	52	0.0	-52.38	391.65	11.69	-40.69
COC1=C(Br)C=CC(F)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041699	0	41	0.0	-40.04	328.24	9.09	-30.95
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012041700	0	50	0.0	-47.36	381.92	13.56	-33.80
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012041701	0	41	0.0	-49.22	329.19	10.32	-38.90
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300012041702	0	51	0.0	-51.07	400.79	12.67	-38.40
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012041703	0	50	0.0	-49.38	366.38	9.60	-39.78
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Br)C=C1OC(F)F	REAL300012041704	0	41	0.0	-42.89	331.99	9.13	-33.76
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012041705	0	45	0.0	-45.81	326.60	9.10	-36.71
CC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012041706	0	43	0.0	-50.94	333.33	11.00	-39.94
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012041707	0	43	0.0	-49.23	327.52	7.19	-42.04
COC1=CC=C(F)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1OC	REAL300012041708	0	45	0.0	-42.57	336.55	8.36	-34.21
COC1=CC(OC)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C2=NC(Cl)=CC=C12	REAL300012041709	0	50	0.0	-33.44	385.91	8.57	-24.87
CN1C=CC(C2=NNC=C2C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=N1	REAL300012041710	0	44	0.0	-37.08	333.23	7.07	-30.01
CC1=CC=C(F)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1Br	REAL300012041711	0	40	0.0	-35.11	309.67	10.01	-25.10
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012041712	0	60	0.0	-37.63	425.00	13.16	-24.47
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012041713	0	51	0.0	-50.46	372.38	11.22	-39.24
CC(F)(F)C1=CC=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041714	0	43	0.0	-40.47	313.30	10.38	-30.09
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OCCO	REAL300012041715	0	49	0.0	-49.16	364.86	6.05	-43.11
CCN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2CC2)=N1	REAL300012041716	0	47	0.0	-43.71	349.55	9.78	-33.93
COC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1OCCO	REAL300012041717	0	49	0.0	-50.32	364.85	6.05	-44.27
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012041718	0	47	0.0	-39.83	357.48	7.88	-31.95
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012041719	0	56	0.0	-52.45	410.56	9.64	-42.81
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012041720	0	40	0.0	-44.21	306.71	10.10	-34.11
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012041721	0	44	0.0	-41.95	346.90	9.49	-32.46
COC1=CSC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1OC	REAL300012041722	0	42	0.0	-39.38	325.77	7.06	-32.32
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012041723	0	46	0.0	-48.39	370.96	10.69	-37.70
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012041724	0	40	0.0	-36.57	315.43	8.05	-28.52
CS(=O)(=O)C1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])SC=C1	REAL300012041725	0	40	0.0	-44.03	314.61	5.53	-38.50
CS(=O)(=O)C1=COC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041726	0	40	0.0	-55.46	316.61	4.46	-51.00
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012041727	0	40	0.0	-37.76	316.98	10.01	-27.75
CC(C)OC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1F	REAL300012041728	0	47	0.0	-45.00	348.23	9.79	-35.21
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012041729	0	37	0.0	-55.95	295.39	9.52	-46.43
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012041730	0	43	0.0	-37.38	323.54	11.26	-26.12
CS(=O)(=O)C1=CSC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041731	0	40	0.0	-51.91	325.08	5.47	-46.44
CC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=NN1C1CCC1	REAL300012041732	0	47	0.0	-50.65	341.73	9.29	-41.36
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012041733	0	44	0.0	-45.81	348.72	10.66	-35.15
CC1=NN(C2CCCC2)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041734	0	50	0.0	-50.55	360.86	9.83	-40.72
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Br)C=C(C(F)(F)F)S1	REAL300012041735	0	37	0.0	-40.38	323.44	9.71	-30.67
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012041736	0	45	0.0	-38.07	353.73	10.58	-27.49
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041737	0	47	0.0	-48.59	352.31	9.71	-38.88
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012041738	0	40	0.0	-43.00	314.44	10.47	-32.53
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012041739	0	37	0.0	-39.16	308.01	9.92	-29.24
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012041740	0	44	0.0	-46.34	338.39	10.22	-36.12
CN(C)C1=CN=CC(F)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041741	0	44	0.0	-42.11	326.57	6.87	-35.24
COC1=NC(C)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C)=C1Cl	REAL300012041742	0	46	0.0	-49.97	343.74	6.92	-43.05
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041743	0	46	0.0	-41.84	346.20	9.14	-32.70
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012041744	0	41	0.0	-47.61	315.90	8.33	-39.28
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041745	0	53	0.0	-43.17	377.84	10.46	-32.71
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012041746	0	48	0.0	-44.07	348.51	7.58	-36.49
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041747	0	51	0.0	-44.22	367.79	8.10	-36.12
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012041748	0	42	0.0	-40.04	334.27	10.07	-29.97
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012041749	0	47	0.0	-49.06	338.78	9.37	-39.69
NS(=O)(=O)C1=CSC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041750	0	39	0.0	-50.34	318.59	2.88	-47.46
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012041751	0	36	0.0	-42.56	299.00	7.96	-34.60
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012041752	0	52	0.0	-49.96	377.87	8.41	-41.55
CC1=NN(C2CCCC2)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041753	0	50	0.0	-43.11	358.85	9.85	-33.26
CC1=CC(Br)=C(F)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041754	0	40	0.0	-53.13	316.60	10.11	-43.02
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012041755	0	37	0.0	-54.54	308.92	10.04	-44.50
COC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1Br	REAL300012041756	0	41	0.0	-34.87	317.85	8.91	-25.96
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012041757	0	37	0.0	-57.37	295.83	9.52	-47.85
CN1C=C(C2=CC=CC(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])=C2)C=N1	REAL300012041758	0	47	0.0	-51.23	353.02	10.30	-40.93
COC1=CC(F)=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1Br	REAL300012041759	0	41	0.0	-46.40	323.24	8.93	-37.47
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012041760	0	47	0.0	-54.40	359.66	11.43	-42.97
CC1=CC=C(Br)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041761	0	40	0.0	-45.75	309.00	10.26	-35.49
COC1=C(C#N)C=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041762	0	42	0.0	-41.29	322.91	8.73	-32.56
COC1=NC2=CC=C(C[NH2+][C@@H]3C[C@H]4C[C@@H]3C[C@H]4C(=O)[O-])C=C2S1	REAL300012041763	0	43	0.0	-52.10	337.59	6.75	-45.35
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=NC(Br)=C1	REAL300012041764	0	36	0.0	-52.97	289.14	7.60	-45.37
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012041765	0	37	0.0	-43.17	307.53	9.79	-33.38
CC(C)(C)COC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041766	0	53	0.0	-49.92	384.58	11.21	-38.71
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012041767	0	37	0.0	-50.20	311.97	9.95	-40.25
COC1=CC(Cl)=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041768	0	41	0.0	-47.38	319.39	8.75	-38.63
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012041769	0	40	0.0	-38.52	324.64	10.29	-28.23
COC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CC(F)=C1F	REAL300012041770	0	41	0.0	-56.55	315.20	8.36	-48.19
CN1N=CC=C1C1=NNC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041771	0	44	0.0	-39.95	334.75	6.56	-33.39
COC(=O)C1=C(C)NC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1C	REAL300012041772	0	47	0.0	-46.94	355.46	8.61	-38.33
CC1=CC(Br)=CC(C)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041773	0	43	0.0	-43.71	327.56	10.60	-33.11
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012041774	0	38	0.0	-43.82	301.50	6.65	-37.17
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012041775	0	40	0.0	-38.09	312.90	8.00	-30.09
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012041776	0	53	0.0	-45.13	375.44	12.76	-32.37
COC1=CC=CC=C1C=CC[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041777	0	45	0.0	-42.19	332.26	9.52	-32.67
CC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])SC(Br)=C1	REAL300012041778	0	37	0.0	-47.36	303.65	9.27	-38.09
CC1=NN(C2CCC2)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041779	0	47	0.0	-43.33	340.61	9.24	-34.09
CC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=NN1CC(F)F	REAL300012041780	0	43	0.0	-54.67	327.30	8.28	-46.39
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012041781	0	45	0.0	-51.25	342.36	9.27	-41.98
CCCN1N=C(C)C(Cl)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041782	0	46	0.0	-47.42	354.05	9.25	-38.17
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041783	0	49	0.0	-54.71	370.87	10.93	-43.78
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041784	0	44	0.0	-44.84	331.76	8.16	-36.68
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012041785	0	50	0.0	-46.89	375.96	13.34	-33.55
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=CC(Cl)=C1Br	REAL300012041786	0	37	0.0	-41.87	321.12	10.31	-31.56
CCCCC(=O)NC1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041787	0	53	0.0	-46.36	392.91	10.19	-36.17
CCN(C)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C)=C1	REAL300012041788	0	51	0.0	-43.85	360.67	10.83	-33.02
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012041789	0	36	0.0	-43.06	300.20	7.91	-35.15
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012041790	0	34	0.0	-37.03	294.29	8.90	-28.13
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041791	0	58	0.0	-39.53	403.13	11.04	-28.49
COC1=CC(C)=CC(OC)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041792	0	48	0.0	-38.18	350.84	8.25	-29.93
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012041793	0	41	0.0	-46.45	334.83	9.21	-37.24
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012041794	0	47	0.0	-49.01	361.36	11.69	-37.32
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012041795	0	40	0.0	-46.12	309.84	10.39	-35.73
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012041796	0	46	0.0	-47.20	342.14	10.64	-36.56
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041797	0	59	0.0	-44.34	431.73	13.78	-30.56
CC1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1C(F)(F)F	REAL300012041798	0	43	0.0	-41.01	317.83	10.61	-30.40
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(C(F)(F)F)C=C1Br	REAL300012041799	0	40	0.0	-35.92	327.70	10.52	-25.40
CCC(C)C1=CC=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=C1	REAL300012041800	0	49	0.0	-44.69	351.91	11.53	-33.16
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012041801	0	39	0.0	-51.01	316.94	8.33	-42.68
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012041802	0	42	0.0	-42.23	337.84	9.24	-32.99
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012041803	0	44	0.0	-44.64	333.45	7.39	-37.25
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012041804	0	40	0.0	-46.39	331.33	11.13	-35.26
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041805	0	50	0.0	-57.96	372.26	11.39	-46.57
CC(F)(F)C1=CC=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=N1	REAL300012041806	0	42	0.0	-52.90	321.90	8.82	-44.08
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012041807	0	37	0.0	-52.50	302.06	9.51	-42.99
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012041808	0	37	0.0	-47.59	309.47	10.04	-37.55
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012041809	0	39	0.0	-57.52	322.67	10.22	-47.30
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041810	0	44	0.0	-47.63	332.75	10.76	-36.87
COC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=CC(Br)=C1F	REAL300012041811	0	41	0.0	-39.39	329.32	9.07	-30.32
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012041812	0	40	0.0	-36.47	316.50	10.04	-26.43
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012041813	0	43	0.0	-50.74	326.00	8.86	-41.88
CC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C=CC2=CC=CC=C21	REAL300012041814	0	46	0.0	-47.01	330.58	11.63	-35.38
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041815	0	55	0.0	-42.50	398.01	10.52	-31.98
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012041816	0	43	0.0	-50.42	337.46	11.80	-38.62
COC1=C2C=CNC2=CC=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041817	0	45	0.0	-41.01	334.81	8.47	-32.54
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012041818	0	50	0.0	-47.07	358.39	5.89	-41.18
COC1=CC=C(OC)C(OC)=C1C[NH2+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL300012041819	0	49	0.0	-42.87	359.74	7.80	-35.07
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012041820	0	54	0.0	-34.46	383.88	10.75	-23.71
O=C([O-])[C@@H]1C[C@H]2C[C@@H]1C[C@H]2[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012041821	0	51	0.0	-41.51	386.43	12.39	-29.12
CC1=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012041822	0	45	0.0	-44.22	329.09	9.90	-34.32
CC1=CC(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012041823	0	46	0.0	-53.28	344.93	10.21	-43.07
COC(=O)C1=CN(C)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1	REAL300012041824	0	44	0.0	-41.50	332.20	8.98	-32.52
COC1=CC=C(Br)C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])=C1O	REAL300012041825	0	42	0.0	-40.97	329.26	6.73	-34.24
CN1C=C(C[NH2+][C@@H]2C[C@H]3C[C@@H]2C[C@H]3C(=O)[O-])C(C2CCC2)=N1	REAL300012041826	0	47	0.0	-44.01	344.08	9.30	-34.71
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=C(C)C=C2)N=C1C(C)(C)C)C(=O)[O-]	REAL300012041827	0	52	0.0	-31.92	393.58	11.21	-20.71
C=CC[C@@H]([NH2+]CC1=C(Cl)N(C2=CC=CC(C(F)(F)F)=C2)N=C1C)C(=O)[O-]	REAL300012041828	0	43	0.0	-34.04	381.20	10.14	-23.90
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012041829	0	48	0.0	-36.33	390.63	10.36	-25.97
C=CC[C@@H]([NH2+]CC1=C(Cl)N(C2=CC=C(F)C=C2)N=C1C)C(=O)[O-]	REAL300012041830	0	40	0.0	-32.84	348.51	9.20	-23.64
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012041831	0	51	0.0	-30.01	413.29	11.02	-18.99
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012041832	0	47	0.0	-29.51	384.30	11.74	-17.77
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2=CC=C(Cl)C=C2)C(OC)=C1)C(=O)[O-]	REAL300012041833	0	48	0.0	-37.49	406.05	10.84	-26.65
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2=CC=C(F)C=C2)C(OC)=C1)C(=O)[O-]	REAL300012041834	0	48	0.0	-38.16	395.72	10.38	-27.78
C=CC[C@@H]([NH2+]CC1=CC=CC(NC(=O)C2=CC=C(OC)C=C2)=C1)C(=O)[O-]	REAL300012041835	0	48	0.0	-41.47	390.28	8.45	-33.02
C=CC[C@@H]([NH2+]CC1=CC=CC(NC(=O)C2=CC=CC=C2Cl)=C1)C(=O)[O-]	REAL300012041836	0	44	0.0	-37.42	373.40	9.66	-27.76
C=CC[C@@H]([NH2+]CC1=CC=C(OCC(=O)N2CCOCC2)C(OC)=C1)C(=O)[O-]	REAL300012041837	0	53	0.0	-43.75	418.43	7.37	-36.38
C=CC[C@@H]([NH2+]CC1=CN(CCC#N)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012041838	0	44	0.0	-40.14	371.10	9.69	-30.45
C=CC[C@@H]([NH2+]CC1=CC=C(OC(F)F)C(OC)=C1)C(=O)[O-]	REAL300012041839	0	38	0.0	-37.44	318.63	6.66	-30.78
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300012041840	0	47	0.0	-29.72	401.89	12.28	-17.44
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1)C(=O)[O-]	REAL300012041841	0	46	0.0	-30.61	380.04	9.97	-20.64
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012041842	0	47	0.0	-29.55	400.56	12.24	-17.31
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1)C(=O)[O-]	REAL300012041843	0	37	0.0	-30.33	330.34	9.65	-20.68
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC=C1OCC1=CC=CC=C1)C(=O)[O-]	REAL300012041844	0	44	0.0	-32.71	379.97	11.11	-21.60
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2=CC=CC=C2)C(Br)=C1)C(=O)[O-]	REAL300012041845	0	44	0.0	-33.34	380.49	11.09	-22.25
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(OC)C(OCC)=C1)C(=O)[O-]	REAL300012041846	0	41	0.0	-36.76	355.08	8.05	-28.71
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC(Br)=C1OC)C(=O)[O-]	REAL300012041847	0	34	0.0	-30.98	321.40	7.85	-23.13
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(OCC)C(OC)=C1)C(=O)[O-]	REAL300012041848	0	41	0.0	-36.87	355.07	8.09	-28.78
C=CCOC1=C(Br)C=C(C[NH2+][C@H](CC=C)C(=O)[O-])C=C1OC	REAL300012041849	0	42	0.0	-37.08	367.98	8.66	-28.42
C=CCOC1=C(Br)C=C(C[NH2+][C@H](CC=C)C(=O)[O-])C=C1OCC	REAL300012041850	0	45	0.0	-36.32	388.52	9.54	-26.78
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(OCCC)C(OC)=C1)C(=O)[O-]	REAL300012041851	0	44	0.0	-36.77	376.58	8.89	-27.88
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(OCCC)C(OCC)=C1)C(=O)[O-]	REAL300012041852	0	47	0.0	-35.95	397.11	9.77	-26.18
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC=C1OCCC)C(=O)[O-]	REAL300012041853	0	40	0.0	-31.26	342.91	8.90	-22.36
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1)C(=O)[O-]	REAL300012041854	0	44	0.0	-33.56	358.72	10.50	-23.06
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C(=O)[O-]	REAL300012041855	0	39	0.0	-35.31	337.25	9.70	-25.61
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1)C(=O)[O-]	REAL300012041856	0	39	0.0	-35.94	338.55	9.75	-26.19
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300012041857	0	34	0.0	-32.19	298.72	7.11	-25.08
C=CC[C@@H]([NH2+]CC1=CC=C(OCCCC)C(OC)=C1)C(=O)[O-]	REAL300012041858	0	47	0.0	-36.11	373.72	8.89	-27.22
C=CC[C@@H]([NH2+]CC1=CC=C(OCCCCCC)C(OC)=C1)C(=O)[O-]	REAL300012041859	0	53	0.0	-36.00	416.72	10.45	-25.55
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1)C(=O)[O-]	REAL300012041860	0	37	0.0	-30.30	325.78	9.55	-20.75
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1)C(=O)[O-]	REAL300012041861	0	37	0.0	-30.31	325.93	9.59	-20.72
C=CC[C@@H]([NH2+]CC1=C(OC2=CC=C(F)C=C2)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300012041862	0	51	0.0	-35.18	427.32	11.33	-23.85
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1)C(=O)[O-]	REAL300012041863	0	37	0.0	-30.46	330.35	9.64	-20.82
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C(=O)[O-]	REAL300012041864	0	37	0.0	-30.55	333.37	10.44	-20.11
C=CC[C@@H]([NH2+]CC1=CC(OC)=C(OCC2=CC=CC=C2)C(OC)=C1)C(=O)[O-]	REAL300012041865	0	52	0.0	-38.04	423.79	10.29	-27.75
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1)C(=O)[O-]	REAL300012041866	0	39	0.0	-36.14	333.16	10.32	-25.82
C=CC[C@@H]([NH2+]CC1=CN(C)N=C1C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300012041867	0	49	0.0	-33.76	392.40	8.30	-25.46
C=CC[C@@H]([NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300012041868	0	36	0.0	-28.51	320.06	8.00	-20.51
C=CC[C@@H]([NH2+]CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012041869	0	34	0.0	-32.72	306.52	8.65	-24.07
C=CC[C@@H]([NH2+]CC1=CC(OC)=C(OCC2=CC=CC=C2)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300012041870	0	50	0.0	-27.99	409.27	10.94	-17.05
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1)C(=O)[O-]	REAL300012041871	0	39	0.0	-36.34	346.15	10.64	-25.70
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C(=O)[O-]	REAL300012041872	0	39	0.0	-35.12	345.36	10.65	-24.47
C=CC[C@@H]([NH2+]CC1=CNN=C1C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012041873	0	41	0.0	-37.24	335.36	6.33	-30.91
C=CC[C@@H]([NH2+]CC1=C(OCC)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300012041874	0	49	0.0	-32.18	384.79	7.70	-24.48
C=CC[C@@H]([NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300012041875	0	43	0.0	-37.67	347.72	6.08	-31.59
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2CCCO2)C=C1)C(=O)[O-]	REAL300012041876	0	45	0.0	-35.83	357.12	7.75	-28.08
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300012041877	0	37	0.0	-31.03	323.05	9.99	-21.04
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300012041878	0	50	0.0	-29.20	411.58	12.44	-16.76
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC=C1OCC1=CC=CC=N1)C(=O)[O-]	REAL300012041879	0	43	0.0	-30.40	369.21	9.29	-21.11
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1)C(=O)[O-]	REAL300012041880	0	43	0.0	-30.98	346.76	8.65	-22.33
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)S1)C(=O)[O-]	REAL300012041881	0	37	0.0	-30.62	337.94	10.55	-20.07
C=CC[C@@H]([NH2+]CC1=C(Cl)N=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300012041882	0	41	0.0	-29.67	348.99	8.30	-21.37
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300012041883	0	37	0.0	-30.71	334.88	10.49	-20.22
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C(OC)=C1)C(=O)[O-]	REAL300012041884	0	47	0.0	-37.43	384.20	8.55	-28.88
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2F)S1)C(=O)[O-]	REAL300012041885	0	37	0.0	-31.45	327.33	10.14	-21.31
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2Br)S1)C(=O)[O-]	REAL300012041886	0	37	0.0	-30.65	338.47	10.55	-20.10
C=CC[C@@H]([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300012041887	0	33	0.0	-28.28	299.39	8.62	-19.66
C=CC[C@@H]([NH2+]CC1=CC(I)=C(OC)C(OC)=C1)C(=O)[O-]	REAL300012041888	0	38	0.0	-36.03	337.54	7.55	-28.48
C=CC[C@@H]([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1C(C)C)C(=O)[O-]	REAL300012041889	0	46	0.0	-27.78	382.64	10.40	-17.38
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)S1)C(=O)[O-]	REAL300012041890	0	37	0.0	-30.73	339.27	10.58	-20.15
C=CC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300012041891	0	34	0.0	-31.88	304.75	7.34	-24.54
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300012041892	0	37	0.0	-30.73	334.70	10.47	-20.26
C=CC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=CC(C#N)=C2)=C1)C(=O)[O-]	REAL300012041893	0	45	0.0	-39.10	380.95	10.81	-28.29
C=CC[C@@H]([NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300012041894	0	40	0.0	-37.78	331.55	5.67	-32.11
C=CC[C@@H]([NH2+]CC1=CC=C(OCC(F)(F)F)C(OC)=C1)C(=O)[O-]	REAL300012041895	0	41	0.0	-36.64	348.98	7.72	-28.92
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300012041896	0	43	0.0	-37.59	356.27	8.70	-28.89
C=CC[C@@H]([NH2+]CC1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300012041897	0	36	0.0	-35.66	314.97	7.01	-28.65
C=CC[C@@H]([NH2+]CC1=CC(Br)=C2OCCCOC2=C1)C(=O)[O-]	REAL300012041898	0	39	0.0	-35.71	332.08	7.74	-27.97
C=CC[C@@H]([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C(=O)[O-]	REAL300012041899	0	40	0.0	-41.81	348.33	9.31	-32.50
C=CC[C@@H]([NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)N=C1)C(=O)[O-]	REAL300012041900	0	46	0.0	-36.26	366.92	7.07	-29.19
C=CC[C@@H]([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C(=O)[O-]	REAL300012041901	0	37	0.0	-37.13	319.73	7.83	-29.30
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(OC(F)F)C(OCC)=C1)C(=O)[O-]	REAL300012041902	0	41	0.0	-38.79	362.50	8.32	-30.47
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(OC(F)F)C(OC)=C1)C(=O)[O-]	REAL300012041903	0	38	0.0	-39.02	340.64	7.40	-31.62
C=CC[C@@H]([NH2+]CC1=CN(C)N=C1C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012041904	0	43	0.0	-38.64	354.88	9.63	-29.01
C=CC[C@@H]([NH2+]CC1=CSC(C2=CC=C(C)C=C2)=N1)C(=O)[O-]	REAL300012041905	1	39	0.0	-27.62	335.05	8.61	-19.01
C=CC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C(=O)[O-]	REAL300012041906	0	44	0.0	-34.61	363.79	10.59	-24.02
C=CC[C@@H]([NH2+]CC1=CSC(COC2=CC=CC=C2)=N1)C(=O)[O-]	REAL300012041907	0	40	0.0	-28.66	345.23	7.46	-21.20
C=CC[C@@H]([NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)C(=O)[O-]	REAL300012041908	1	39	0.0	-29.14	352.34	8.94	-20.20
C=CC[C@@H]([NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300012041909	0	40	0.0	-29.08	361.97	7.97	-21.11
C=CC[C@@H]([NH2+]CC1=CSC(COC2=CC=C(C)C=C2)=N1)C(=O)[O-]	REAL300012041910	0	43	0.0	-29.21	367.96	8.16	-21.05
C=CC[C@@H]([NH2+]CC1=CSC(COC2=CC=C(OC)C=C2)=N1)C(=O)[O-]	REAL300012041911	0	44	0.0	-30.04	374.73	6.75	-23.29
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300012041912	0	37	0.0	-31.28	324.38	10.03	-21.25
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OCC(=O)N(C)C)C(=O)[O-]	REAL300012041913	0	44	0.0	-45.29	356.52	8.06	-37.23
C=CC[C@@H]([NH2+]CC1=CC(OC)=C(OCC(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300012041914	0	43	0.0	-29.35	368.91	8.35	-21.00
C=CC[C@@H]([NH2+]CC1=CC(OC)=CC=C1OCC1=CC=CC=N1)C(=O)[O-]	REAL300012041915	0	47	0.0	-30.80	377.37	7.95	-22.85
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300012041916	0	40	0.0	-30.50	339.37	10.64	-19.86
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC(OC)=CC(OC)=C2)C=C1)C(=O)[O-]	REAL300012041917	0	49	0.0	-35.96	399.52	8.72	-27.24
C=CC[C@@H]([NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F)C(=O)[O-]	REAL300012041918	0	36	0.0	-34.94	316.22	7.49	-27.45
C=CC[C@@H]([NH2+]CC1=CC(Cl)=CC(Cl)=C1OC)C(=O)[O-]	REAL300012041919	0	34	0.0	-31.28	312.44	7.64	-23.64
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC=C1OCCOCC)C(=O)[O-]	REAL300012041920	0	44	0.0	-33.19	375.57	8.28	-24.91
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300012041921	0	30	0.0	-29.79	280.58	8.14	-21.65
C=CC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300012041922	0	30	0.0	-29.11	278.00	8.10	-21.01
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)C(=O)[O-]	REAL300012041923	0	41	0.0	-33.26	353.37	10.25	-23.01
C=CC[C@@H]([NH2+]CC1=CC(OC)=C(OCC)C(OC)=C1)C(=O)[O-]	REAL300012041924	0	45	0.0	-36.40	362.56	7.20	-29.20
C=CC[C@@H]([NH2+]CC1=CC(OC)=CC=C1OC(F)F)C(=O)[O-]	REAL300012041925	0	38	0.0	-31.68	316.17	6.06	-25.62
C=CC[C@@H]([NH2+]CC1=CC=CC(Br)=C1OC(F)F)C(=O)[O-]	REAL300012041926	0	34	0.0	-32.76	304.59	7.36	-25.40
C=CC[C@@H]([NH2+]CC1=C(Cl)C=CC=C1OC(F)F)C(=O)[O-]	REAL300012041927	0	34	0.0	-27.46	300.77	7.19	-20.27
C=CC[C@@H]([NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012041928	0	50	0.0	-36.42	404.39	12.02	-24.40
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC=CN=C2)C(C)=C1)C(=O)[O-]	REAL300012041929	0	43	0.0	-36.05	351.95	8.85	-27.20
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1)C(=O)[O-]	REAL300012041930	0	48	0.0	-43.18	390.17	8.43	-34.75
C=CC[C@@H]([NH2+]CC1=CN=C(C2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300012041931	0	39	0.0	-32.44	336.55	8.89	-23.55
C=CC[C@@H]([NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)C(=O)[O-]	REAL300012041932	0	37	0.0	-31.52	323.54	9.20	-22.32
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(F)C=C2C)O1)C(=O)[O-]	REAL300012041933	0	40	0.0	-30.83	337.32	9.82	-21.01
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C=C1OC(F)F)C(=O)[O-]	REAL300012041934	0	38	0.0	-36.01	317.49	6.12	-29.89
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C(=O)[O-]	REAL300012041935	0	49	0.0	-29.86	386.48	11.39	-18.47
C=CC[C@@H]([NH2+]CC1=C(Cl)C=CC=C1OC1=C(C)C=CC(C)=C1C)C(=O)[O-]	REAL300012041936	0	50	0.0	-27.85	409.86	12.46	-15.39
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1N(C)CC(C)CC)C(=O)[O-]	REAL300012041937	0	50	0.0	-28.38	380.46	9.88	-18.50
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1N(C)CCCCC)C(=O)[O-]	REAL300012041938	0	50	0.0	-29.03	389.47	10.29	-18.74
C=CC[C@@H]([NH2+]CC1=CC(C)=C(OCC2=CC=CC(C)=C2)C(C)=C1)C(=O)[O-]	REAL300012041939	0	53	0.0	-33.44	425.57	12.71	-20.73
C=CC[C@@H]([NH2+]CC1=CC(C)=C(OCC2=CC=CC=C2C)C(C)=C1)C(=O)[O-]	REAL300012041940	0	53	0.0	-33.71	419.37	12.67	-21.04
C=CC[C@@H]([NH2+]CC1=CC(C)=C(OCC2=CC=CC=C2Cl)C(C)=C1)C(=O)[O-]	REAL300012041941	0	50	0.0	-33.56	418.64	12.68	-20.88
C=CC[C@@H]([NH2+]CC1=CC=C(N(CC)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012041942	0	48	0.0	-33.40	384.95	11.96	-21.44
C=CC[C@@H]([NH2+]CC1=C(C)N(CC2=CC=C(Cl)C=C2)N=C1C)C(=O)[O-]	REAL300012041943	0	46	0.0	-31.84	386.71	10.24	-21.60
C=CC[C@@H]([NH2+]CC1=CC(OC)=C(OC)C=C1SC)C(=O)[O-]	REAL300012041944	0	42	0.0	-33.39	342.94	7.29	-26.10
C=CC[C@@H]([NH2+]CC1=CC=C(OC(C)C(=O)N(C)C)C(OCC)=C1)C(=O)[O-]	REAL300012041945	0	54	0.0	-43.54	422.26	9.05	-34.49
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC=C1OC(F)F)C(=O)[O-]	REAL300012041946	0	34	0.0	-31.63	309.31	7.45	-24.18
C=CC[C@@H]([NH2+]CC1=C(Cl)N(CC2=CC=C(C)C=C2)N=C1C)C(=O)[O-]	REAL300012041947	0	46	0.0	-32.61	390.40	10.34	-22.27
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(OCC(C)C)=C1)C(=O)[O-]	REAL300012041948	0	47	0.0	-34.52	372.33	8.78	-25.74
C=CC[C@@H]([NH2+]CC1=CC(Cl)=C(OC)C(OCC)=C1)C(=O)[O-]	REAL300012041949	0	41	0.0	-36.93	350.69	7.94	-28.99
C=CC[C@@H]([NH2+]CC1=CC(Cl)=C(OCC)C(OC)=C1)C(=O)[O-]	REAL300012041950	0	41	0.0	-37.05	350.69	7.98	-29.07
C=CC[C@@H]([NH2+]CC1=CC=CC(OCC)=C1OCCC)C(=O)[O-]	REAL300012041951	0	47	0.0	-26.85	374.80	9.21	-17.64
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(OCCCC)=C1)C(=O)[O-]	REAL300012041952	0	47	0.0	-34.20	372.40	8.84	-25.36
C=CC[C@@H]([NH2+]CC1=CC(Cl)=C(OCCC)C(OCC)=C1)C(=O)[O-]	REAL300012041953	0	47	0.0	-36.16	392.72	9.66	-26.50
C=CC[C@@H]([NH2+]CC1=C(Cl)N(C2=CC(C)=CC=C2C)N=C1C)C(=O)[O-]	REAL300012041954	0	46	0.0	-27.92	384.02	10.76	-17.16
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(OC(F)F)=C1)C(=O)[O-]	REAL300012041955	0	38	0.0	-32.77	318.63	6.67	-26.10
C=CC[C@@H]([NH2+]CC1=CC=C(OC(F)F)C(OCC)=C1)C(=O)[O-]	REAL300012041956	0	41	0.0	-36.71	339.16	7.54	-29.17
C=CC[C@@H]([NH2+]CC1=CSC(C2=CC=CC(Br)=C2)=N1)C(=O)[O-]	REAL300012041957	1	36	0.0	-28.62	336.27	8.59	-20.03
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300012041958	0	50	0.0	-29.68	413.11	12.49	-17.19
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2=CC=C([N+](=O)[O-])C=C2)C(OC)=C1)C(=O)[O-]	REAL300012041959	0	50	0.0	-42.47	417.54	10.99	-31.48
C=CC[C@@H]([NH2+]CC1=CC2=C(C=C1OCC)CC(C)O2)C(=O)[O-]	REAL300012041960	0	45	0.0	-31.52	355.68	8.03	-23.49
C=CC[C@@H]([NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1)C(=O)[O-]	REAL300012041961	0	39	0.0	-32.91	343.28	8.57	-24.34
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2C)N=C1C1=CC=C(CC)C=C1)C(=O)[O-]	REAL300012041962	0	56	0.0	-28.68	447.82	14.15	-14.53
C=CC[C@@H]([NH2+]CC1=CC=CC(OCC)=C1OC(F)F)C(=O)[O-]	REAL300012041963	0	41	0.0	-33.05	337.13	7.75	-25.30
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1)C(=O)[O-]	REAL300012041964	0	48	0.0	-44.47	382.70	9.31	-35.16
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300012041965	0	53	0.0	-29.39	423.52	12.96	-16.43
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300012041966	0	53	0.0	-29.68	432.39	12.88	-16.80
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012041967	0	50	0.0	-34.71	406.99	12.07	-22.64
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=C(CC)C=C1)C(=O)[O-]	REAL300012041968	0	56	0.0	-35.22	453.02	13.64	-21.58
C=CC[C@@H]([NH2+]CC1=CC(Cl)=C(OCCC)C(OC)=C1)C(=O)[O-]	REAL300012041969	0	44	0.0	-36.93	372.19	8.78	-28.15
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300012041970	0	53	0.0	-34.74	428.29	12.74	-22.00
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C(C)(C)C)C(=O)[O-]	REAL300012041971	0	52	0.0	-33.04	396.61	10.98	-22.06
C=CC[C@@H]([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1C(C)(C)C)C(=O)[O-]	REAL300012041972	0	49	0.0	-29.65	393.10	10.92	-18.73
C=CC[C@@H]([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1C(C)C)C(=O)[O-]	REAL300012041973	0	49	0.0	-31.56	410.92	10.96	-20.60
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1)C(=O)[O-]	REAL300012041974	0	37	0.0	-33.75	323.76	9.21	-24.54
C=CC[C@@H]([NH2+]CC1=CN(C(C)(C)C)N=C1C1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012041975	0	53	0.0	-29.78	418.98	9.65	-20.13
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2Cl)N=C1C(C)(C)C)C(=O)[O-]	REAL300012041976	0	49	0.0	-33.82	382.96	11.20	-22.62
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300012041977	0	56	0.0	-34.46	445.01	13.27	-21.19
C=CC[C@@H]([NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012041978	0	37	0.0	-29.86	323.33	7.57	-22.29
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2=C(C)ON=C2C)C(OC)=C1)C(=O)[O-]	REAL300012041979	0	50	0.0	-39.09	406.60	9.09	-30.00
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012041980	0	50	0.0	-35.89	419.25	12.53	-23.36
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012041981	0	50	0.0	-35.25	423.62	12.58	-22.67
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=C(C)C=C2)N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300012041982	0	56	0.0	-34.68	449.70	13.42	-21.26
C=CC[C@@H]([NH2+]CC1=C(CCCC)OC2=CC=CC=C21)C(=O)[O-]	REAL300012041983	0	45	0.0	-29.35	362.88	10.65	-18.70
C=CC[C@@H]([NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300012041984	0	43	0.0	-39.68	357.00	11.85	-27.83
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2=CC=CS2)C(OC)=C1)C(=O)[O-]	REAL300012041985	0	45	0.0	-35.72	379.55	9.39	-26.33
C=CC[C@@H]([NH2+]CC1=C(C)N(C2=CC=C(F)C=C2)N=C1C)C(=O)[O-]	REAL300012041986	0	43	0.0	-32.21	353.84	9.36	-22.85
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012041987	0	54	0.0	-37.84	439.59	11.50	-26.34
C=CC[C@@H]([NH2+]CC1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300012041988	0	39	0.0	-36.08	327.69	7.62	-28.46
C=CC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C(=O)[O-]	REAL300012041989	0	44	0.0	-34.75	374.55	11.05	-23.70
C=CC[C@@H]([NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300012041990	0	37	0.0	-36.15	325.96	7.91	-28.24
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1)C(=O)[O-]	REAL300012041991	0	36	0.0	-32.42	326.57	7.77	-24.65
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1)C(=O)[O-]	REAL300012041992	0	36	0.0	-30.68	324.29	7.54	-23.14
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC(C)=C1OC(F)F)C(=O)[O-]	REAL300012041993	0	37	0.0	-29.35	326.84	8.10	-21.25
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(Cl)S1)C(=O)[O-]	REAL300012041994	0	27	0.0	-31.93	277.85	7.49	-24.44
C=CC[C@@H]([NH2+]CC1=CC=C(SC2=CC=C(C)C=C2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012041995	0	46	0.0	-46.67	392.73	12.33	-34.34
C=CC[C@@H]([NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012041996	0	47	0.0	-46.62	385.66	12.14	-34.48
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(OC)C=C2[N+](=O)[O-])O1)C(=O)[O-]	REAL300012041997	0	43	0.0	-36.48	362.64	9.61	-26.87
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1)C(=O)[O-]	REAL300012041998	0	37	0.0	-31.05	340.93	10.00	-21.05
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2Br)O1)C(=O)[O-]	REAL300012041999	0	39	0.0	-33.87	357.53	10.25	-23.62
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012042000	0	43	0.0	-47.52	369.85	11.36	-36.16
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC=CC=C2Cl)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012042001	0	43	0.0	-39.23	380.36	11.85	-27.38
C=CC[C@@H]([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300012042002	0	43	0.0	-32.64	368.98	9.67	-22.97
C=CC[C@@H]([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2Cl)N=C1C)C(=O)[O-]	REAL300012042003	0	43	0.0	-30.49	384.21	10.16	-20.33
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CS1)C(=O)[O-]	REAL300012042004	0	47	0.0	-35.12	388.36	11.16	-23.96
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1)C(=O)[O-]	REAL300012042005	0	49	0.0	-39.63	405.16	10.40	-29.23
C=CC[C@@H]([NH2+]CC1=C(Cl)N(C2=CC=CC(Cl)=C2)N=C1C)C(=O)[O-]	REAL300012042006	0	40	0.0	-34.19	360.24	9.68	-24.51
C=CC[C@@H]([NH2+]CC1=C(Cl)N(CC2=CC=C(Cl)C=C2)N=C1C)C(=O)[O-]	REAL300012042007	0	43	0.0	-32.25	384.40	10.15	-22.10
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC(C)=CC=C2C(C)C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012042008	0	55	0.0	-47.44	444.44	13.86	-33.58
C=CC[C@@H]([NH2+]CC1=CC=C(OCCC)C(OCC)=C1)C(=O)[O-]	REAL300012042009	0	47	0.0	-34.06	372.76	8.98	-25.08
C=CC[C@@H]([NH2+]CC1=CC=C(OCCOC2=CC=C(C)C=C2)C(OCC)=C1)C(=O)[O-]	REAL300012042010	0	58	0.0	-37.81	463.82	11.75	-26.06
C=CC[C@@H]([NH2+]CC1=C(Cl)N(CC2=CC=C(F)C=C2)N=C1C)C(=O)[O-]	REAL300012042011	0	43	0.0	-33.51	375.40	9.74	-23.77
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C(Br)=C1)C(=O)[O-]	REAL300012042012	0	30	0.0	-32.11	289.06	8.31	-23.80
C=CC[C@@H]([NH2+]CC1=CC=C(OCCCCCCC)C=C1)C(=O)[O-]	REAL300012042013	0	52	0.0	-33.42	408.97	11.34	-22.08
C=CC[C@@H]([NH2+]CC(C)CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012042014	0	51	0.0	-32.28	381.77	11.51	-20.77
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300012042015	0	30	0.0	-29.49	267.66	7.65	-21.84
C=CC[C@@H]([NH2+]CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300012042016	0	34	0.0	-26.64	293.71	7.02	-19.62
C=CC[C@@H]([NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012042017	0	36	0.0	-35.85	327.92	9.19	-26.66
C=CC[C@@H]([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300012042018	0	33	0.0	-33.41	300.70	8.56	-24.85
C=CC[C@@H]([NH2+]CC1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300012042019	0	30	0.0	-32.95	270.14	7.75	-25.20
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2OC)C=C1)C(=O)[O-]	REAL300012042020	0	44	0.0	-33.16	357.01	10.21	-22.95
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)C(=O)[O-]	REAL300012042021	0	40	0.0	-31.15	348.09	10.04	-21.11
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(O)=C1Br)C(=O)[O-]	REAL300012042022	0	35	0.0	-36.30	303.09	4.85	-31.45
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(OCC2=CC=CN=C2)=C1)C(=O)[O-]	REAL300012042023	0	47	0.0	-38.78	384.15	8.53	-30.25
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1)C(=O)[O-]	REAL300012042024	0	37	0.0	-31.75	349.85	10.93	-20.82
C=CC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1)C(=O)[O-]	REAL300012042025	0	43	0.0	-36.09	370.27	9.22	-26.87
C=CC[C@@H]([NH2+]CC1=CC(OC)=C(OC)C=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012042026	0	48	0.0	-31.02	375.37	9.54	-21.48
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1)C(=O)[O-]	REAL300012042027	0	43	0.0	-37.19	354.87	8.76	-28.43
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2=CC=C(Cl)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300012042028	0	44	0.0	-36.36	391.99	11.39	-24.97
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300012042029	0	30	0.0	-33.61	277.13	7.85	-25.76
C=CC[C@@H]([NH2+]CC1=CC=C(N2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012042030	1	47	0.0	-32.22	358.02	5.85	-26.37
C=CC[C@@H]([NH2+]CC1=C(C)N(C2=CC=C(Cl)C=C2)N=C1C)C(=O)[O-]	REAL300012042031	0	43	0.0	-31.85	364.17	9.81	-22.04
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300012042032	0	37	0.0	-38.09	325.68	8.92	-29.17
C=CC[C@@H]([NH2+]CC1=C(C)N(C2=CC=C(F)C=C2F)N=C1C)C(=O)[O-]	REAL300012042033	0	43	0.0	-39.72	361.10	9.53	-30.19
C=CC[C@@H]([NH2+]CC1=C(C)N(C2=CC=C(Br)C=C2)N=C1C)C(=O)[O-]	REAL300012042034	0	43	0.0	-31.86	368.72	9.92	-21.94
C=CC[C@@H]([NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1)C(=O)[O-]	REAL300012042035	0	37	0.0	-33.29	353.97	9.12	-24.17
C=CC[C@@H]([NH2+]CC1=CC(C)=C(OCC2=CC=CC=N2)C(C)=C1)C(=O)[O-]	REAL300012042036	0	49	0.0	-35.23	395.96	10.28	-24.95
C=CC[C@@H]([NH2+]CC1=C(Cl)C=CC=C1OCC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012042037	0	48	0.0	-29.63	400.64	10.14	-19.49
C=CC[C@@H]([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300012042038	0	37	0.0	-36.40	319.73	7.83	-28.57
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2=CC=CC=C2)C(OCC)=C1)C(=O)[O-]	REAL300012042039	0	51	0.0	-35.54	411.17	11.24	-24.30
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300012042040	0	49	0.0	-34.43	412.06	12.38	-22.05
C=CC[C@@H]([NH2+]CC1=CC=C(OCCOC2=CC=CC(C)=C2)C(OCC)=C1)C(=O)[O-]	REAL300012042041	0	58	0.0	-40.68	463.82	11.74	-28.94
C=CC[C@@H]([NH2+]CC1=CC(Br)=C2OCOC2=C1)C(=O)[O-]	REAL300012042042	0	33	0.0	-35.86	297.49	6.46	-29.40
C=CC[C@@H]([NH2+]CC1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300012042043	0	46	0.0	-31.31	369.97	9.72	-21.59
C=CC[C@@H]([NH2+]CC1=C(C)N(CC2=CC=CC=C2Cl)N=C1C)C(=O)[O-]	REAL300012042044	0	46	0.0	-31.57	384.01	10.15	-21.42
C=CC[C@@H]([NH2+]CC1=CC=C(OCC(C)C)C(OCC)=C1)C(=O)[O-]	REAL300012042045	0	50	0.0	-33.87	392.86	9.66	-24.21
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300012042046	0	30	0.0	-32.69	275.67	7.79	-24.90
C=CC[C@@H]([NH2+]CC1=CC(OC)=C(OC)C=C1Br)C(=O)[O-]	REAL300012042047	0	38	0.0	-27.24	322.91	6.93	-20.31
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300012042048	0	30	0.0	-36.22	276.99	7.83	-28.39
C=CC[C@@H]([NH2+]CC1=CC=C(OCCCC)C(OCC)=C1)C(=O)[O-]	REAL300012042049	0	50	0.0	-35.37	394.25	9.76	-25.61
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300012042050	0	43	0.0	-37.16	381.61	11.87	-25.29
C=CC[C@@H]([NH2+]CC1=CC=CC(OC)=C1OC(F)F)C(=O)[O-]	REAL300012042051	0	38	0.0	-33.25	315.79	6.70	-26.55
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(CC)C=C1)C(=O)[O-]	REAL300012042052	0	53	0.0	-33.83	427.35	13.15	-20.68
C=CC[C@@H]([NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1)C(=O)[O-]	REAL300012042053	0	50	0.0	-28.23	387.53	10.55	-17.68
C=CC[C@@H]([NH2+]CC1=CC=C(OCC(=O)N2CCCCC2)C(OCC)=C1)C(=O)[O-]	REAL300012042054	0	58	0.0	-43.40	450.45	10.74	-32.66
C=CC[C@@H]([NH2+]CC1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300012042055	0	30	0.0	-32.82	275.81	7.80	-25.02
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300012042056	0	47	0.0	-34.63	381.48	11.10	-23.53
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(OCC2=CC=C([N+](=O)[O-])C=C2)=C1)C(=O)[O-]	REAL300012042057	0	50	0.0	-42.73	417.54	10.99	-31.74
C=CC[C@@H]([NH2+]CC1=CC=CC(OCCCCCC)=C1)C(=O)[O-]	REAL300012042058	0	49	0.0	-34.57	387.48	10.56	-24.01
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(OCCCCC)=C1)C(=O)[O-]	REAL300012042059	0	50	0.0	-34.63	395.22	9.67	-24.96
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(OC(C)CC)=C1)C(=O)[O-]	REAL300012042060	0	47	0.0	-34.00	368.09	8.68	-25.32
C=CC[C@@H]([NH2+]CC1=CC=CC(OCCCCCCC)=C1)C(=O)[O-]	REAL300012042061	0	52	0.0	-33.89	407.65	11.29	-22.60
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(OCCCC#N)=C1)C(=O)[O-]	REAL300012042062	0	45	0.0	-44.91	373.07	8.62	-36.29
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(OCC(=C)C)=C1)C(=O)[O-]	REAL300012042063	0	45	0.0	-34.92	361.72	8.62	-26.30
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(OCCC(C)C)=C1)C(=O)[O-]	REAL300012042064	0	50	0.0	-34.08	389.97	9.37	-24.71
C=CC[C@@H]([NH2+]CC1=C(OCC(F)(F)F)N(C)N=C1C)C(=O)[O-]	REAL300012042065	0	40	0.0	-34.51	346.21	5.66	-28.85
C=CC[C@@H]([NH2+]CC1=CC=C(OCC(F)(F)F)C(OCC)=C1)C(=O)[O-]	REAL300012042066	0	44	0.0	-37.16	372.15	8.69	-28.47
C=CC[C@@H]([NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1)C(=O)[O-]	REAL300012042067	0	43	0.0	-34.13	344.17	6.32	-27.81
C=CC[C@@H]([NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012042068	0	33	0.0	-33.80	305.92	8.72	-25.08
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012042069	0	33	0.0	-33.29	309.16	8.77	-24.52
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300012042070	0	30	0.0	-33.10	283.18	8.24	-24.86
C=CC[C@@H]([NH2+]CC1=CN(C(C)(C)C)N=C1C1=CC=CC=C1Cl)C(=O)[O-]	REAL300012042071	0	49	0.0	-37.46	395.49	11.09	-26.37
C=CC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1)C(=O)[O-]	REAL300012042072	0	45	0.0	-36.20	378.90	10.88	-25.32
C=CC[C@@H]([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300012042073	0	34	0.0	-35.11	305.41	7.31	-27.80
C=CC[C@@H]([NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)C(=O)[O-]	REAL300012042074	0	38	0.0	-34.40	343.17	8.65	-25.75
C=CC[C@@H]([NH2+]CC1=C(Cl)N(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012042075	0	40	0.0	-29.11	344.87	8.68	-20.43
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300012042076	0	35	0.0	-32.50	305.88	7.57	-24.93
C=CC[C@@H]([NH2+]CC1=CC(C)=C(Br)S1)C(=O)[O-]	REAL300012042077	0	30	0.0	-29.26	280.30	7.58	-21.68
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C2=CC=CN=C12)C(=O)[O-]	REAL300012042078	0	35	0.0	-35.16	308.43	8.24	-26.92
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300012042079	0	45	0.0	-35.37	366.99	9.28	-26.09
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC(C)=CC(C)=C2)C=C1)C(=O)[O-]	REAL300012042080	0	46	0.0	-33.73	367.15	11.93	-21.80
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1C)C(=O)[O-]	REAL300012042081	0	40	0.0	-36.03	345.22	9.50	-26.53
C=CC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300012042082	0	44	0.0	-36.39	366.49	10.49	-25.90
C=CC[C@@H]([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012042083	0	41	0.0	-34.59	350.72	11.29	-23.30
C=CC[C@@H]([NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1)C(=O)[O-]	REAL300012042084	0	36	0.0	-36.34	342.15	9.38	-26.96
C=CC[C@@H]([NH2+]CC1=C(Cl)C=CC=C1S(C)(=O)=O)C(=O)[O-]	REAL300012042085	0	36	0.0	-28.58	308.18	5.16	-23.42
C=CC[C@@H]([NH2+]CC1=CC=CC(Cl)=C1S(=O)(=O)CC)C(=O)[O-]	REAL300012042086	0	39	0.0	-46.39	332.96	6.64	-39.75
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C=C1SC(C)C)C(=O)[O-]	REAL300012042087	0	40	0.0	-30.64	340.84	9.99	-20.65
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C=C1SC)C(=O)[O-]	REAL300012042088	0	34	0.0	-31.02	302.99	8.60	-22.42
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300012042089	0	40	0.0	-34.66	339.47	8.88	-25.78
C=CC[C@@H]([NH2+]CC1=CC=C(OC(F)F)C(Br)=C1)C(=O)[O-]	REAL300012042090	0	34	0.0	-34.88	309.80	7.43	-27.45
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1)C(=O)[O-]	REAL300012042091	0	43	0.0	-34.93	371.78	9.82	-25.11
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1OC)C(=O)[O-]	REAL300012042092	0	44	0.0	-34.14	352.37	9.97	-24.17
C=CC[C@@H]([NH2+]CC1=CC(C2=CC=CC=C2)=CC=C1OC)C(=O)[O-]	REAL300012042093	0	44	0.0	-32.51	351.07	9.92	-22.59
C=CC[C@@H]([NH2+]CC1=CC(C2=CC=NC=C2)=CC=C1OC)C(=O)[O-]	REAL300012042094	0	43	0.0	-35.91	347.58	8.21	-27.70
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300012042095	0	41	0.0	-33.30	357.10	10.52	-22.78
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C=C1N1CCOCC1)C(=O)[O-]	REAL300012042096	0	43	0.0	-32.29	354.59	7.33	-24.96
C=CC[C@@H]([NH2+]CC1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300012042097	0	34	0.0	-31.20	304.74	7.37	-23.83
C=CC[C@@H]([NH2+]CC1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300012042098	0	30	0.0	-32.16	284.93	8.22	-23.94
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)C(=O)[O-]	REAL300012042099	0	39	0.0	-38.78	323.76	8.82	-29.96
C=CC[C@@H]([NH2+]CC1=NC=C(Br)C=C1Br)C(=O)[O-]	REAL300012042100	0	29	0.0	-26.62	283.02	6.42	-20.20
C=CC[C@@H]([NH2+]CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300012042101	0	30	0.0	-32.29	280.45	8.19	-24.10
C=CC[C@@H]([NH2+]CC1=CC=CC(Br)=C1OC)C(=O)[O-]	REAL300012042102	0	34	0.0	-32.43	298.80	7.20	-25.23
C=CC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1)C(=O)[O-]	REAL300012042103	0	44	0.0	-31.67	360.06	9.95	-21.72
C=CC[C@@H]([NH2+]CC1=C(Br)C=C(OC)C=C1OC)C(=O)[O-]	REAL300012042104	0	38	0.0	-27.58	324.51	6.29	-21.29
C=CC[C@@H]([NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1)C(=O)[O-]	REAL300012042105	0	41	0.0	-30.00	353.24	10.54	-19.46
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC=CC(Br)=C2)C=C1)C(=O)[O-]	REAL300012042106	0	41	0.0	-34.68	358.79	10.61	-24.07
C=CC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1)C(=O)[O-]	REAL300012042107	0	45	0.0	-36.06	373.93	8.45	-27.61
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1C)C(=O)[O-]	REAL300012042108	0	40	0.0	-36.03	349.80	9.60	-26.43
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1C(C)C)C(=O)[O-]	REAL300012042109	0	46	0.0	-34.82	389.35	10.76	-24.06
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C(C)(C)C)C(=O)[O-]	REAL300012042110	0	49	0.0	-32.00	372.16	10.55	-21.45
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300012042111	0	47	0.0	-30.12	390.24	11.78	-18.34
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1)C(=O)[O-]	REAL300012042112	0	40	0.0	-40.33	346.98	9.33	-31.00
C=CC[C@@H]([NH2+]CC1=CC=C(N(CC)CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012042113	0	51	0.0	-33.07	400.19	12.31	-20.76
C=CC[C@@H]([NH2+]CC1=CC=C(OCCCCCC)C=C1)C(=O)[O-]	REAL300012042114	0	49	0.0	-33.52	387.47	10.56	-22.96
C=CC[C@@H]([NH2+]CC1=CC=C(OCCC)C=C1OCCC)C(=O)[O-]	REAL300012042115	0	50	0.0	-32.90	393.09	9.26	-23.64
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2=CC=CC=C2)C(OC)=C1)C(=O)[O-]	REAL300012042116	0	48	0.0	-36.23	390.63	10.36	-25.87
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300012042117	0	34	0.0	-31.45	299.56	7.17	-24.28
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(O)C(OC)=C1)C(=O)[O-]	REAL300012042118	0	35	0.0	-36.92	310.80	4.96	-31.96
C=CC[C@@H]([NH2+]CC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012042119	0	52	0.0	-34.75	422.80	14.35	-20.40
C=CC[C@@H]([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300012042120	0	40	0.0	-33.96	343.50	9.17	-24.79
C=CC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012042121	0	44	0.0	-36.21	361.39	10.47	-25.74
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1)C(=O)[O-]	REAL300012042122	0	37	0.0	-38.13	330.25	9.02	-29.11
C=CC[C@@H]([NH2+]CC1=CC=CC=C1I)C(=O)[O-]	REAL300012042123	0	30	0.0	-23.96	270.83	8.21	-15.75
C=CC[C@@H]([NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F)C(=O)[O-]	REAL300012042124	0	38	0.0	-34.94	325.89	6.36	-28.58
C=CC[C@@H]([NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012042125	0	47	0.0	-35.84	373.13	10.43	-25.41
C=CC[C@@H]([NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300012042126	0	40	0.0	-29.63	325.55	8.81	-20.82
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(OCC(N)=O)=C1)C(=O)[O-]	REAL300012042127	0	42	0.0	-47.33	347.46	4.35	-42.98
C=CC[C@@H]([NH2+]CC1=CC=C(OCC(=O)NCC)C(OC)=C1)C(=O)[O-]	REAL300012042128	0	48	0.0	-43.39	390.87	6.63	-36.76
C=CC[C@@H]([NH2+]CC1=CC(OC)=C(OCC(N)=O)C(OC)=C1)C(=O)[O-]	REAL300012042129	0	46	0.0	-43.98	379.29	4.10	-39.88
C=CC[C@@H]([NH2+]CC1=CC(Cl)=C(OCC(N)=O)C(OC)=C1)C(=O)[O-]	REAL300012042130	0	42	0.0	-44.28	366.10	4.96	-39.32
C=CC[C@@H]([NH2+]CC1=CC=CC(I)=C1)C(=O)[O-]	REAL300012042131	0	30	0.0	-34.52	277.90	8.28	-26.24
C=CC[C@@H]([NH2+]CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012042132	0	30	0.0	-32.48	276.58	8.25	-24.23
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC(Br)=C1)C(=O)[O-]	REAL300012042133	0	30	0.0	-32.86	292.72	8.41	-24.45
C=CC[C@@H]([NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300012042134	0	40	0.0	-30.53	344.04	8.02	-22.51
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300012042135	0	40	0.0	-33.74	339.74	11.08	-22.66
C=CC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012042136	0	43	0.0	-35.80	352.84	8.73	-27.07
C=CC[C@@H]([NH2+]CC1=CSC(N(C(C)=O)C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300012042137	0	43	0.0	-31.19	375.41	9.52	-21.67
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2=CN3C=CC=C(C)C3=N2)C=C1)C(=O)[O-]	REAL300012042138	0	50	0.0	-39.13	408.72	11.59	-27.54
C=CC[C@@H]([NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1)C(=O)[O-]	REAL300012042139	0	39	0.0	-31.28	341.02	6.65	-24.63
C=CC[C@@H]([NH2+]CC1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300012042140	0	33	0.0	-27.41	302.96	8.73	-18.68
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C=C1C(F)(F)F)C(=O)[O-]	REAL300012042141	0	33	0.0	-36.81	298.67	8.83	-27.98
C=CC[C@@H]([NH2+]CC1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300012042142	0	30	0.0	-27.89	272.03	7.67	-20.22
C=CC[C@@H]([NH2+]CC1=CC(F)=CC(Br)=C1)C(=O)[O-]	REAL300012042143	0	30	0.0	-33.60	277.83	7.87	-25.73
C=CC[C@@H]([NH2+]CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300012042144	0	30	0.0	-35.30	269.50	7.71	-27.59
C=CC[C@@H]([NH2+]CC1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300012042145	0	30	0.0	-37.61	274.97	7.78	-29.83
C=CC[C@@H]([NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C(=O)[O-]	REAL300012042146	0	37	0.0	-35.00	314.03	5.49	-29.51
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300012042147	0	34	0.0	-33.10	293.18	6.97	-26.13
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(C)C(Br)=C1)C(=O)[O-]	REAL300012042148	0	33	0.0	-32.59	307.69	8.88	-23.71
C=CC[C@@H]([NH2+]CC1=C(Br)C=C(C)S1)C(=O)[O-]	REAL300012042149	0	30	0.0	-28.83	280.18	7.59	-21.24
C=CC[C@@H]([NH2+]CC1=CC=CC(C(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012042150	0	45	0.0	-39.65	358.50	9.85	-29.80
C=CC[C@@H]([NH2+]CC1=C(Cl)C=CC=C1SC(C)C)C(=O)[O-]	REAL300012042151	0	40	0.0	-26.11	335.69	9.77	-16.34
C=CC[C@@H]([NH2+]CC1=CC=CC=C1SC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012042152	0	45	0.0	-32.71	371.61	10.38	-22.33
C=CC[C@@H]([NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1)C(=O)[O-]	REAL300012042153	0	36	0.0	-32.67	331.87	8.73	-23.94
C=CC[C@@H]([NH2+]CC1=CN=C(C2=CC=CC=C2F)S1)C(=O)[O-]	REAL300012042154	0	36	0.0	-35.67	318.34	8.40	-27.27
C=CC[C@@H]([NH2+]CC1=CC(C2=CC=CC=C2C)=CC=C1OC)C(=O)[O-]	REAL300012042155	0	47	0.0	-31.82	374.41	10.65	-21.17
C=CC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300012042156	0	41	0.0	-31.94	348.53	9.57	-22.37
C=CC[C@@H]([NH2+]CC1=CC(OC)=C(OCC(F)F)C(OC)=C1)C(=O)[O-]	REAL300012042157	0	45	0.0	-40.05	376.90	7.55	-32.50
C=CC[C@@H]([NH2+]CC1=CC=NC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300012042158	0	35	0.0	-34.76	301.80	8.01	-26.75
C=CC[C@@H]([NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300012042159	0	36	0.0	-34.10	321.99	8.39	-25.71
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300012042160	0	30	0.0	-32.30	284.93	8.22	-24.08
C=CC[C@@H]([NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300012042161	0	42	0.0	-33.29	359.72	9.70	-23.59
C=CC[C@@H]([NH2+]CC1=CC=C(OC(F)(F)F)C(Br)=C1)C(=O)[O-]	REAL300012042162	0	34	0.0	-33.74	316.54	7.64	-26.10
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300012042163	0	41	0.0	-36.03	345.22	10.11	-25.92
C=CC[C@@H]([NH2+]CC1=CN(C)N=C1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300012042164	0	40	0.0	-29.68	334.28	8.37	-21.31
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC=C1OC(C)C(=O)NC)C(=O)[O-]	REAL300012042165	0	44	0.0	-43.43	375.43	7.26	-36.17
C=CC[C@@H]([NH2+]CC1=CN(C)N=C1C1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012042166	0	41	0.0	-33.84	349.06	8.71	-25.13
C=CC[C@@H]([NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012042167	0	44	0.0	-35.11	357.17	9.57	-25.54
C=CC[C@@H]([NH2+]CC1=CC=NN1C1=CC=CC=C1OC)C(=O)[O-]	REAL300012042168	0	41	0.0	-30.37	334.37	7.52	-22.85
C=CC[C@@H]([NH2+]CC1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300012042169	0	34	0.0	-30.14	300.09	7.06	-23.08
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2Br)C=C1)C(=O)[O-]	REAL300012042170	0	40	0.0	-32.39	345.40	11.20	-21.19
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)C(=O)[O-]	REAL300012042171	0	40	0.0	-39.22	347.67	9.40	-29.82
C=CC[C@@H]([NH2+]CC1=CC(Cl)=C(C)C=C1Br)C(=O)[O-]	REAL300012042172	0	33	0.0	-29.46	299.25	8.77	-20.69
C=CC[C@@H]([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012042173	0	40	0.0	-31.95	349.46	9.16	-22.79
C=CC[C@@H]([NH2+]CC1=CN(CCC#N)N=C1C1=CC=NC=C1)C(=O)[O-]	REAL300012042174	0	43	0.0	-43.00	365.93	7.94	-35.06
C=CC[C@@H]([NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1)C(=O)[O-]	REAL300012042175	0	36	0.0	-27.30	307.08	10.70	-16.60
C=CC[C@@H]([NH2+]CC1=C(C)C2=CC=CC(Cl)=C2S1)C(=O)[O-]	REAL300012042176	0	36	0.0	-27.93	316.58	9.62	-18.31
C=CC[C@@H]([NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012042177	0	44	0.0	-33.98	372.23	9.55	-24.43
C=CC[C@@H]([NH2+]CC1=CC=C(F)C=C1I)C(=O)[O-]	REAL300012042178	0	30	0.0	-31.39	273.22	8.11	-23.28
C=CC[C@@H]([NH2+]CC1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300012042179	0	29	0.0	-26.38	277.06	6.37	-20.01
C=CC[C@@H]([NH2+]CC1=CC(OC(F)F)=CC=C1Br)C(=O)[O-]	REAL300012042180	0	34	0.0	-27.27	303.47	7.29	-19.98
C=CC[C@@H]([NH2+]CC1=CN=C(C2=CC=C(C)C(C)=C2)S1)C(=O)[O-]	REAL300012042181	0	42	0.0	-32.12	352.19	9.37	-22.75
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2F)N=C1C)C(=O)[O-]	REAL300012042182	0	40	0.0	-40.13	332.89	9.13	-31.00
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2Br)N=C1C)C(=O)[O-]	REAL300012042183	0	40	0.0	-37.58	345.11	9.77	-27.81
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2Cl)N=C1C)C(=O)[O-]	REAL300012042184	0	40	0.0	-37.93	341.48	9.63	-28.30
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC(Br)=C2)N=C1C)C(=O)[O-]	REAL300012042185	0	40	0.0	-33.81	349.79	9.60	-24.21
C=CC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1)C(=O)[O-]	REAL300012042186	0	44	0.0	-34.54	371.52	10.70	-23.84
C=CC[C@@H]([NH2+]CC1=CC=CC(Br)=C1SC(C)(C)C)C(=O)[O-]	REAL300012042187	0	43	0.0	-29.93	349.71	10.21	-19.72
C=CC[C@@H]([NH2+]CC1=CC2=CC(Br)=CC=C2O1)C(=O)[O-]	REAL300012042188	0	33	0.0	-30.46	297.97	8.28	-22.18
C=CC[C@@H]([NH2+]CC1=CC=C2CCN(C(=O)OC(C)(C)C)CC2=C1)C(=O)[O-]	REAL300012042189	0	54	0.0	-37.02	416.02	10.37	-26.65
C=CC[C@@H]([NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300012042190	0	36	0.0	-31.79	331.89	8.73	-23.06
C=CC[C@@H]([NH2+]CC1=CNN=C1C1=CC=C(Br)S1)C(=O)[O-]	REAL300012042191	0	34	0.0	-34.29	305.69	6.71	-27.58
C=CC[C@@H]([NH2+]CC1=CC(Cl)=C(OC(C)C)C=C1Cl)C(=O)[O-]	REAL300012042192	0	40	0.0	-30.83	344.52	8.92	-21.91
C=CC[C@@H]([NH2+]CC1=CC(C(=O)OC)=C2CCCCN12)C(=O)[O-]	REAL300012042193	0	44	0.0	-38.65	351.89	8.92	-29.73
C=CC[C@@H]([NH2+]CC1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012042194	0	37	0.0	-33.70	318.69	7.51	-26.19
C=CCOC1=C(Cl)C=C(C[NH2+][C@H](CC=C)C(=O)[O-])C=C1OC	REAL300012042195	0	42	0.0	-37.22	363.59	8.55	-28.67
C=CC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1I)C(=O)[O-]	REAL300012042196	0	30	0.0	-27.65	281.46	8.47	-19.18
C=CC[C@@H]([NH2+]CC1=CN(C)N=C1CN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300012042197	0	47	0.0	-41.35	384.44	8.81	-32.54
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012042198	0	44	0.0	-29.47	365.13	10.62	-18.85
C=CC[C@@H]([NH2+]CC1=CC(C(F)(F)F)=C(Br)C=C1F)C(=O)[O-]	REAL300012042199	0	33	0.0	-30.58	308.79	8.69	-21.89
C=CC[C@@H]([NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F)C(=O)[O-]	REAL300012042200	0	37	0.0	-37.10	318.74	7.84	-29.26
C=CC[C@@H]([NH2+]CC1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300012042201	0	39	0.0	-34.40	342.60	9.57	-24.83
C=CC[C@@H]([NH2+]CC1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300012042202	0	38	0.0	-31.58	322.95	6.41	-25.17
C=CC[C@@H]([NH2+]CC1=CC(C)=C(F)C=C1Br)C(=O)[O-]	REAL300012042203	0	33	0.0	-25.58	292.25	8.48	-17.10
C=CC[C@@H]([NH2+]CC1=C(O)C=CC=C1Br)C(=O)[O-]	REAL300012042204	0	31	0.0	-27.20	277.89	4.89	-22.31
C=CC[C@@H]([NH2+]CC1=NC=C(Br)C=C1F)C(=O)[O-]	REAL300012042205	0	29	0.0	-29.45	270.46	5.94	-23.51
C=CC[C@@H]([NH2+]CC1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012042206	0	50	0.0	-34.63	396.70	7.59	-27.04
C=CC[C@@H]([NH2+]CC1=C(F)C=CC(C(F)(F)F)=C1Br)C(=O)[O-]	REAL300012042207	0	33	0.0	-28.95	307.72	8.57	-20.38
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1)C(=O)[O-]	REAL300012042208	0	40	0.0	-35.44	341.82	11.11	-24.33
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(C)C=C1Br)C(=O)[O-]	REAL300012042209	0	33	0.0	-29.24	303.27	8.86	-20.38
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C(F)=C1F)C(=O)[O-]	REAL300012042210	0	30	0.0	-29.17	281.57	7.90	-21.27
C=CC[C@@H]([NH2+]CC1=CC(Br)=CN=C1OC)C(=O)[O-]	REAL300012042211	0	33	0.0	-32.47	295.91	4.51	-27.96
C=CC[C@@H]([NH2+]CC1=CC=CC(C2=CC=C(NC(=O)OC(C)(C)C)C=C2)=N1)C(=O)[O-]	REAL300012042212	0	56	0.0	-32.08	442.66	9.19	-22.89
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(C(C)OCOC)C=C1F)C(=O)[O-]	REAL300012042213	0	44	0.0	-34.20	375.77	8.35	-25.85
C=CC[C@@H]([NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300012042214	0	44	0.0	-41.21	361.58	7.50	-33.71
C=CC[C@@H]([NH2+]CC1=CC(OC)=C(Br)C=C1F)C(=O)[O-]	REAL300012042215	0	34	0.0	-28.18	303.21	7.15	-21.03
C=CC[C@@H]([NH2+]CC1=CC=CC(Br)=C1Cl)C(=O)[O-]	REAL300012042216	0	30	0.0	-34.13	278.68	8.08	-26.05
C=CC[C@@H]([NH2+]CC1=CC=CC(F)=C1OC(F)(F)F)C(=O)[O-]	REAL300012042217	0	34	0.0	-38.22	299.89	7.07	-31.15
C=CC[C@@H]([NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1)C(=O)[O-]	REAL300012042218	0	44	0.0	-43.41	346.13	8.20	-35.21
C=CC[C@@H]([NH2+]CC1=CC=C(C)C(Br)=C1C)C(=O)[O-]	REAL300012042219	0	36	0.0	-31.96	297.89	8.79	-23.17
C=CC[C@@H]([NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)C=C1)C(=O)[O-]	REAL300012042220	0	47	0.0	-38.10	370.88	7.39	-30.71
C=CC[C@@H]([NH2+]CC1=CN(C)N=C1C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300012042221	0	40	0.0	-35.97	339.82	8.42	-27.55
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC(F)=C1O)C(=O)[O-]	REAL300012042223	1	31	0.0	-36.09	286.71	5.14	-30.95
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012042224	0	40	0.0	-34.14	356.44	8.90	-25.24
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC=C(F)C(C)=C2)C=C1Cl)C(=O)[O-]	REAL300012042225	0	44	0.0	-33.42	378.97	11.22	-22.20
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC=CC=C2CC)C=C1Cl)C(=O)[O-]	REAL300012042226	0	47	0.0	-32.65	389.57	11.81	-20.84
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300012042227	0	41	0.0	-32.38	359.68	10.62	-21.76
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300012042228	0	44	0.0	-31.22	377.56	11.22	-20.00
C=CC[C@@H]([NH2+]CC1=CC=C(Cl)C=C1OC1=CC=C(F)C(C)=C1)C(=O)[O-]	REAL300012042229	0	44	0.0	-35.57	379.64	11.23	-24.34
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300012042230	0	41	0.0	-31.01	373.56	10.99	-20.02
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012042231	0	41	0.0	-31.46	364.26	10.59	-20.87
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300012042232	0	44	0.0	-35.06	373.05	11.23	-23.83
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300012042233	0	41	0.0	-32.99	358.40	10.54	-22.45
C=CC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1OC1=CC=CC=C1CC)C(=O)[O-]	REAL300012042234	0	47	0.0	-32.31	393.52	11.94	-20.37
C=CC[C@@H]([NH2+]CC1=CC=C(Cl)C=C1OC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012042235	0	41	0.0	-37.06	376.43	11.16	-25.90
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(C)S1)C(=O)[O-]	REAL300012042236	0	30	0.0	-31.19	281.68	7.64	-23.55
C=CC[C@@H]([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300012042237	0	40	0.0	-33.78	341.07	11.11	-22.67
C=CC[C@@H]([NH2+]CC1=CC=CC(F)=C1I)C(=O)[O-]	REAL300012042238	0	30	0.0	-33.48	272.41	8.08	-25.40
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(COC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012042239	0	48	0.0	-31.91	388.07	9.91	-22.00
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C(CN2C=CC=N2)=C1)C(=O)[O-]	REAL300012042240	0	44	0.0	-38.58	362.34	8.17	-30.41
C=CC[C@@H]([NH2+]CC1=C(C)C=CC(Br)=C1F)C(=O)[O-]	REAL300012042241	0	33	0.0	-25.98	289.87	8.22	-17.76
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(CC)=C1)C(=O)[O-]	REAL300012042242	0	47	0.0	-32.95	399.00	11.93	-21.02
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300012042243	0	41	0.0	-31.92	369.00	11.03	-20.89
C=CC[C@@H]([NH2+]CC1=CC=C(Cl)C=C1OC1=CC=C(C)C=C1C)C(=O)[O-]	REAL300012042244	0	47	0.0	-34.23	393.15	11.86	-22.37
C=CC[C@@H]([NH2+]CC1=CN(CC2=CC=C(OC)C=C2)N=N1)C(=O)[O-]	REAL300012042245	0	43	0.0	-33.87	357.79	6.82	-27.05
C=CC[C@@H]([NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012042246	0	44	0.0	-32.45	361.40	10.46	-21.99
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(Br)S1)C(=O)[O-]	REAL300012042247	0	27	0.0	-31.83	282.20	7.60	-24.23
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300012042248	0	41	0.0	-36.48	364.22	10.70	-25.78
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300012042249	0	41	0.0	-31.70	366.26	10.68	-21.02
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300012042250	0	41	0.0	-33.61	358.41	10.34	-23.27
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C=C1OC1=CC=C(C)C=C1)C(=O)[O-]	REAL300012042251	0	44	0.0	-34.37	379.76	11.35	-23.02
C=CC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012042252	0	41	0.0	-30.71	368.59	11.00	-19.71
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OC1=CC=C(C)C=C1OC)C(=O)[O-]	REAL300012042253	0	48	0.0	-36.13	387.18	10.53	-25.60
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012042254	0	41	0.0	-31.57	363.33	10.65	-20.92
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012042255	0	41	0.0	-31.58	358.77	10.53	-21.05
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012042256	0	41	0.0	-32.61	370.77	11.08	-21.53
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300012042257	0	41	0.0	-31.79	367.85	10.80	-20.99
C=CC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(SC)C=C1)C(=O)[O-]	REAL300012042258	0	45	0.0	-33.06	381.73	11.04	-22.02
C=CC[C@@H]([NH2+]CC1=CC=C(Cl)C=C1OC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300012042259	0	41	0.0	-35.03	376.43	11.14	-23.89
C=CC[C@@H]([NH2+]CC1=C(C)N(C2=CC=CC=C2C)N=C1C)C(=O)[O-]	REAL300012042260	0	46	0.0	-33.75	365.44	10.19	-23.56
C=CC[C@@H]([NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300012042261	1	36	0.0	-28.11	330.38	8.45	-19.66
C=CC[C@@H]([NH2+]CC1=CSC(C2=CC=C(OC)C=C2)=N1)C(=O)[O-]	REAL300012042262	1	40	0.0	-28.91	343.09	7.25	-21.66
C=CC[C@@H]([NH2+]CC(C)(C)CN(C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012042264	0	50	0.0	-31.84	370.94	9.44	-22.40
C=CC[C@@H]([NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1)C(=O)[O-]	REAL300012042265	0	44	0.0	-40.22	378.08	10.54	-29.68
C=CC[C@@H]([NH2+]CC1=C(C(C)C)N=C2SC(C)=NN21)C(=O)[O-]	REAL300012042266	0	41	0.0	-36.44	346.45	7.66	-28.78
C=CC[C@@H]([NH2+]CC1=CC=C(OC)C=C1OCC1=CC=CN=C1)C(=O)[O-]	REAL300012042267	0	47	0.0	-36.78	383.02	8.00	-28.78
C=CC[C@@H]([NH2+]CC1=NC2=CC=C(Br)C=C2S1)C(=O)[O-]	REAL300012042268	0	32	0.0	-33.85	301.76	7.20	-26.65
C=CC[C@@H]([NH2+]CC1=CC=C(N(C)C)C=C1C(F)(F)F)C(=O)[O-]	REAL300012042269	0	41	0.0	-35.23	328.04	8.59	-26.64
C=CC[C@@H]([NH2+]CC(C)=CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300012042270	0	40	0.0	-38.45	330.53	9.77	-28.68
C=CC[C@@H]([NH2+]CC1=C(Cl)N(C2=CC=CC=N2)N=C1C)C(=O)[O-]	REAL300012042271	0	39	0.0	-29.55	339.19	8.74	-20.81
C=CC[C@@H]([NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1)C(=O)[O-]	REAL300012042272	0	49	0.0	-32.92	385.90	10.65	-22.27
C=CC[C@@H]([NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300012042273	0	33	0.0	-28.21	310.04	8.53	-19.68
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1)C(=O)[O-]	REAL300012042274	0	36	0.0	-31.79	317.83	7.64	-24.15
C=CC[C@@H]([NH2+]CC1=CN2C=CC(Br)=CC2=N1)C(=O)[O-]	REAL300012042275	0	33	0.0	-29.17	297.10	8.26	-20.91
C=CC[C@@H]([NH2+]CC(C)=CC1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300012042276	0	41	0.0	-37.58	334.94	8.53	-29.05
C=CC[C@@H]([NH2+]CC1=CC(I)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012042277	0	32	0.0	-35.61	304.80	8.91	-26.70
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=C(OC)C=C2)N=C1)C(=O)[O-]	REAL300012042278	0	41	0.0	-39.23	338.44	7.70	-31.53
C=CC[C@@H]([NH2+]CC1=CC=C(N(C)CC2=CC=CS2)C=C1)C(=O)[O-]	REAL300012042279	0	45	0.0	-32.93	368.78	10.51	-22.42
C=CC[C@@H]([NH2+]CC1=CC=C(N2CCCCC2)C(Br)=C1)C(=O)[O-]	REAL300012042280	0	45	0.0	-34.40	366.34	9.60	-24.80
C=CC[C@@H]([NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1)C(=O)[O-]	REAL300012042281	0	50	0.0	-28.95	391.98	11.10	-17.85
C=CC[C@@H]([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1F)C(=O)[O-]	REAL300012042282	0	35	0.0	-43.68	309.88	2.17	-41.51
C=CC[C@@H]([NH2+]CC1=CC2=C(OCO2)C(C2=CC=C(OC)N=C2)=C1)C(=O)[O-]	REAL300012042283	0	46	0.0	-38.23	382.72	6.17	-32.06
C=CC[C@@H]([NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21)C(=O)[O-]	REAL300012042284	0	44	0.0	-30.25	369.13	10.32	-19.93
C=CC[C@@H]([NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C(=O)[O-]	REAL300012042285	0	50	0.0	-35.88	390.15	6.04	-29.84
C=CC[C@@H]([NH2+]CC(CC(F)F)NC(=O)OC(C)(C)C)C(=O)[O-]	REAL300012042286	0	46	0.0	-33.96	359.04	5.98	-27.98
C=CC[C@@H]([NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300012042287	0	41	0.0	-32.68	343.93	10.05	-22.63
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC=C1Br)C(=O)[O-]	REAL300012042288	0	30	0.0	-28.86	282.56	8.20	-20.66
C=CC[C@@H]([NH2+]CC1=CC(C)=C(I)C=C1C)C(=O)[O-]	REAL300012042289	0	36	0.0	-29.99	305.29	9.26	-20.73
C=CC[C@@H]([NH2+]CC1=CC(C#N)=CC=C1Br)C(=O)[O-]	REAL300012042290	0	31	0.0	-31.30	286.36	8.15	-23.15
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OC(C)C(=O)OC)C(=O)[O-]	REAL300012042291	0	43	0.0	-41.71	352.43	8.74	-32.97
C=CC[C@@H]([NH2+]CC1=CC=C(C(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300012042292	0	46	0.0	-40.40	361.06	8.92	-31.48
C=CC[C@@H]([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300012042293	0	36	0.0	-34.12	320.00	9.02	-25.10
C=CC[C@@H]([NH2+]CC1=CC=C(N2C=C(Cl)C=N2)C=C1C)C(=O)[O-]	REAL300012042294	0	40	0.0	-35.67	335.45	9.32	-26.35
C=CC[C@@H]([NH2+]CC1=C(Br)C=C(CC)S1)C(=O)[O-]	REAL300012042295	0	33	0.0	-29.33	303.16	8.42	-20.91
C=CC[C@@H]([NH2+]CC1=CC=C(N2C=C(Cl)C(C)=N2)C=C1)C(=O)[O-]	REAL300012042296	0	40	0.0	-38.44	345.71	9.43	-29.01
C=CC[C@@H]([NH2+]CC(C)(C)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012042297	0	39	0.0	-33.75	318.16	9.47	-24.28
C=CC[C@@H]([NH2+]CC1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300012042298	0	30	0.0	-32.85	288.15	8.30	-24.55
C=CC[C@@H]([NH2+]CC1=CC=CC=C1C1=CC=C(C)C=C1C)C(=O)[O-]	REAL300012042299	0	46	0.0	-29.10	354.68	11.41	-17.69
C=CC[C@@H]([NH2+]CC1=CC=C(N2CCN(C(=O)OC(C)(C)C)CC2)O1)C(=O)[O-]	REAL300012042300	0	56	0.0	-33.45	431.89	7.17	-26.28
C=CC[C@@H]([NH2+]CC1=NC(C2=CC=CC(OC)=C2)=CS1)C(=O)[O-]	REAL300012042301	1	40	0.0	-36.46	341.39	7.21	-29.25
C=CC[C@@H]([NH2+]CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C(=O)[O-]	REAL300012042302	0	50	0.0	-36.39	398.02	7.64	-28.75
C=CC[C@@H]([NH2+]CC1=CC(C(=O)OC)=C2COCCN12)C(=O)[O-]	REAL300012042303	0	42	0.0	-39.63	343.53	6.54	-33.09
C=CC[C@@H]([NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300012042304	0	47	0.0	-42.33	363.60	9.08	-33.25
C=CC[C@@H]([NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C(=O)[O-]	REAL300012042305	0	33	0.0	-28.06	312.28	9.03	-19.03
C=CC[C@@H]([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1Br)C(=O)[O-]	REAL300012042306	0	35	0.0	-39.65	317.93	2.64	-37.01
C=CC[C@@H]([NH2+]CC1=C(Cl)C=CC=C1Br)C(=O)[O-]	REAL300012042307	0	30	0.0	-27.03	282.26	8.09	-18.94
C=CC[C@@H]([NH2+]CC1=CC=C(F)C(Br)=C1F)C(=O)[O-]	REAL300012042308	0	30	0.0	-28.56	279.67	7.84	-20.72
C=CC[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300012042309	0	50	0.0	-39.16	373.83	8.21	-30.95
C=CC[C@@H]([NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C(=O)[O-]	REAL300012042310	0	36	0.0	-40.61	322.68	5.06	-35.55
C=CC[C@@H]([NH2+]CC1=CC=C2CCN(C(=O)OCC3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300012042311	0	52	0.0	-43.76	423.80	11.96	-31.80
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(C)N=C1Cl)C(=O)[O-]	REAL300012042312	0	32	0.0	-26.12	295.45	6.90	-19.22
C=CC[C@@H]([NH2+]CC1=C(F)C=C(Br)C=C1OCC)C(=O)[O-]	REAL300012042313	0	37	0.0	-30.53	326.74	8.12	-22.41
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2=CC=C(C(=O)OC)O2)C=C1)C(=O)[O-]	REAL300012042314	0	47	0.0	-39.83	397.69	9.33	-30.50
C=CC[C@@H]([NH2+]CC1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300012042315	0	33	0.0	-24.75	297.38	8.12	-16.63
C=CC[C@@H]([NH2+]CC1=CN(C)N=C1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300012042316	0	40	0.0	-33.89	335.12	8.40	-25.49
C=CC[C@@H]([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300012042317	0	34	0.0	-35.78	301.68	6.99	-28.79
C=CC[C@@H]([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300012042318	0	36	0.0	-36.83	321.33	9.06	-27.77
C=CC[C@@H]([NH2+]CC1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300012042319	0	33	0.0	-31.92	307.95	9.29	-22.63
C=CC[C@@H]([NH2+]CC1=CN(C)N=C1C1=CC=CC=C1Br)C(=O)[O-]	REAL300012042320	0	40	0.0	-32.56	346.67	8.96	-23.60
C=CC[C@@H]([NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012042321	0	37	0.0	-33.55	327.06	7.64	-25.91
C=CC[C@@H]([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1C)C(=O)[O-]	REAL300012042322	0	43	0.0	-39.15	359.64	9.81	-29.34
C=CC[C@@H]([NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012042323	0	37	0.0	-29.81	327.89	7.68	-22.13
C=CC[C@@H]([NH2+]CC1=C(Br)C=CC=C1Br)C(=O)[O-]	REAL300012042324	0	30	0.0	-26.32	284.77	8.14	-18.18
C=CC[C@@H]([NH2+]CC1=C(Br)C=CC=C1OC(F)F)C(=O)[O-]	REAL300012042325	0	34	0.0	-27.47	306.12	7.32	-20.15
C=CC[C@@H]([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012042326	0	37	0.0	-33.49	322.63	8.62	-24.87
C=CC[C@@H]([NH2+]CC1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300012042327	0	30	0.0	-29.68	280.72	7.81	-21.87
C=CC[C@@H]([NH2+]CC1=CC(C(C)(C)OCC2=CC=CC=C2)=CC=C1F)C(=O)[O-]	REAL300012042328	0	53	0.0	-30.43	419.03	11.97	-18.46
C=CC[C@@H]([NH2+]CC1=C(C)C=C(C)C(Br)=C1C)C(=O)[O-]	REAL300012042329	0	39	0.0	-28.59	320.18	9.29	-19.30
C=CC[C@@H]([NH2+]CC1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300012042330	0	40	0.0	-35.13	345.00	7.92	-27.21
C=CC[C@@H]([NH2+]CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012042331	0	47	0.0	-36.25	371.93	7.44	-28.81
C=CC[C@@H]([NH2+]CC1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300012042332	0	34	0.0	-29.12	304.19	7.18	-21.94
C=CC[C@@H]([NH2+]CC1=C(F)C=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300012042333	0	33	0.0	-28.75	310.92	8.64	-20.11
C=CC[C@@H]([NH2+]CC1=C(F)C=C(C#N)C=C1Br)C(=O)[O-]	REAL300012042334	0	31	0.0	-30.58	289.78	7.95	-22.63
C=CC[C@@H]([NH2+]CC1=CC=C(Cl)C(Br)=C1F)C(=O)[O-]	REAL300012042335	0	30	0.0	-27.96	288.79	8.25	-19.71
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OC1CCCCC1)C(=O)[O-]	REAL300012042336	0	47	0.0	-31.88	358.33	9.98	-21.90
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300012042337	0	41	0.0	-34.74	354.22	10.51	-24.23
C=CC[C@@H]([NH2+]CC1=CC=CC=C1COC1CCCCC1)C(=O)[O-]	REAL300012042338	0	50	0.0	-29.80	377.53	10.62	-19.18
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012042339	0	44	0.0	-34.61	376.76	11.06	-23.55
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC=CC(OC)=C2)C=C1)C(=O)[O-]	REAL300012042340	0	45	0.0	-37.29	367.00	9.30	-27.99
C=CC[C@@H]([NH2+]CC1=CC=C(OC2=CC=CC=C2OC)C=C1)C(=O)[O-]	REAL300012042341	0	45	0.0	-37.30	369.03	9.96	-27.34
C=CC[C@@H]([NH2+]CC1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300012042342	0	34	0.0	-29.15	305.65	7.26	-21.89
C=CC[C@@H]([NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012042343	0	43	0.0	-31.13	358.71	11.89	-19.24
C=CC[C@@H]([NH2+]CC1=C(Br)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300012042344	0	34	0.0	-26.06	308.39	7.40	-18.66
C=CC[C@@H]([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C(=O)[O-]	REAL300012042345	0	34	0.0	-34.43	305.20	8.60	-25.83
C=CC[C@@H]([NH2+]CC1=CC=C(S(=O)(=O)N(C)C)C=C1Br)C(=O)[O-]	REAL300012042346	0	41	0.0	-37.65	358.49	5.72	-31.93
C=CC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300012042347	0	44	0.0	-35.76	376.81	10.94	-24.82
C=CC[C@@H]([NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C(=O)[O-]	REAL300012042348	0	43	0.0	-34.75	343.33	7.86	-26.89
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C=C1OC(F)F)C(=O)[O-]	REAL300012042349	0	34	0.0	-34.88	309.31	7.46	-27.42
C=CC[C@@H]([NH2+]CC1=C(OC)C=C(OC)C2=CC=C(Cl)N=C21)C(=O)[O-]	REAL300012042350	0	43	0.0	-34.32	361.92	6.84	-27.48
C=CC[C@@H]([NH2+]CC1=C(F)C=CC(C)=C1Br)C(=O)[O-]	REAL300012042351	0	33	0.0	-29.06	291.72	8.27	-20.79
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OCCC1CCCCC1)C(=O)[O-]	REAL300012042352	0	53	0.0	-31.58	401.00	11.45	-20.13
C=CC[C@@H]([NH2+]CC1=CC=C(OCC2CCCO2)C(OC)=C1)C(=O)[O-]	REAL300012042353	0	49	0.0	-39.18	386.48	7.77	-31.41
C=CC[C@@H]([NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F)C(=O)[O-]	REAL300012042354	0	37	0.0	-33.82	323.70	7.91	-25.91
C=CC[C@@H]([NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1)C(=O)[O-]	REAL300012042355	0	39	0.0	-37.00	345.51	8.91	-28.09
C=CC[C@@H]([NH2+]CC1=C(Br)C=CC2=C1OCO2)C(=O)[O-]	REAL300012042356	0	33	0.0	-29.97	294.24	6.33	-23.64
C=CC[C@@H]([NH2+]CC1=CC(NC(=O)OC(C)(C)C)=CC=C1Br)C(=O)[O-]	REAL300012042357	0	47	0.0	-26.91	386.28	7.97	-18.94
C=CC[C@@H]([NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1)C(=O)[O-]	REAL300012042358	0	37	0.0	-34.81	325.69	8.92	-25.89
C=CC[C@@H]([NH2+]CC1=C(Br)C=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012042359	0	30	0.0	-30.15	298.94	7.98	-22.17
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C=C1OC1CC1)C(=O)[O-]	REAL300012042360	0	38	0.0	-34.00	330.54	8.85	-25.15
C=CC[C@@H]([NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F)C(=O)[O-]	REAL300012042361	0	33	0.0	-37.68	290.91	8.64	-29.04
C=CC[C@@H]([NH2+]CC1=C(F)C=CC(Br)=C1Cl)C(=O)[O-]	REAL300012042362	0	30	0.0	-29.03	285.88	8.08	-20.95
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012042363	0	35	0.0	-32.13	309.89	8.27	-23.86
C=CC[C@@H]([NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300012042364	0	45	0.0	-43.29	356.27	6.70	-36.59
C=CC[C@@H]([NH2+]CC1=CC(C)=CC(Br)=C1F)C(=O)[O-]	REAL300012042365	0	33	0.0	-27.18	296.65	8.50	-18.68
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C(Cl)=C1F)C(=O)[O-]	REAL300012042366	0	30	0.0	-27.91	288.94	8.26	-19.65
C=CC[C@@H]([NH2+]CC1=CC=CC(OC)=C1Br)C(=O)[O-]	REAL300012042367	0	34	0.0	-34.19	292.30	7.03	-27.16
C=CC[C@@H]([NH2+]CC1=CC(Br)=C(OC)C=C1F)C(=O)[O-]	REAL300012042368	0	34	0.0	-34.37	305.60	7.17	-27.20
C=CC[C@@H]([NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)C(=O)[O-]	REAL300012042369	0	40	0.0	-43.48	336.69	9.59	-33.89
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC(Cl)=C1F)C(=O)[O-]	REAL300012042370	0	30	0.0	-34.61	291.85	8.28	-26.33
C=CC[C@@H]([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C(=O)[O-]	REAL300012042371	0	33	0.0	-39.91	300.79	8.52	-31.39
C=CC[C@@H]([NH2+]CC1=CC=C2CN(C(=O)OC(C)(C)C)CCC2=C1)C(=O)[O-]	REAL300012042372	0	54	0.0	-36.33	414.70	10.33	-26.00
C=CC[C@@H]([NH2+]CC1=C(C)C=C(Br)C=C1C)C(=O)[O-]	REAL300012042373	0	36	0.0	-30.11	301.26	8.77	-21.34
C=CC[C@@H]([NH2+]CC1=C(O)C=CC(F)=C1Br)C(=O)[O-]	REAL300012042374	0	31	0.0	-35.01	279.12	4.78	-30.23
C=CC[C@@H]([NH2+]CC1=C(C)C=C(Br)S1)C(=O)[O-]	REAL300012042375	0	30	0.0	-28.41	280.41	7.58	-20.83
C=CC[C@@H]([NH2+]CC1=NC2=CC(Cl)=CC=C2N1C(C)C)C(=O)[O-]	REAL300012042376	0	42	0.0	-38.09	346.93	9.23	-28.86
C=CC[C@@H]([NH2+]CC1=CC(Cl)=CC(Cl)=C1Br)C(=O)[O-]	REAL300012042377	0	30	0.0	-30.70	292.80	8.53	-22.17
C=CC[C@@H]([NH2+]CC1=CC=C(NC(=O)CCCC)C=C1)C(=O)[O-]	REAL300012042378	0	46	0.0	-41.06	369.79	8.44	-32.62
C=CC[C@@H]([NH2+]CC1=CSC(Br)=C1Br)C(=O)[O-]	REAL300012042379	0	27	0.0	-32.70	275.81	7.29	-25.41
C=CC[C@@H]([NH2+]CC1=CC=CC(Br)=C1Br)C(=O)[O-]	REAL300012042380	0	30	0.0	-33.23	280.24	8.13	-25.10
C=CC[C@@H]([NH2+]CC1=C(C)C(Br)=C(Br)S1)C(=O)[O-]	REAL300012042381	0	30	0.0	-29.26	294.72	7.99	-21.27
C=CC[C@@H]([NH2+]CC1=CC(Cl)=CN=C1Br)C(=O)[O-]	REAL300012042382	0	29	0.0	-25.73	276.08	6.33	-19.40
C=CC[C@@H]([NH2+]CC1=CN(C(C)(C)C)N=C1C(C)(C)C)C(=O)[O-]	REAL300012042383	0	51	0.0	-30.63	376.07	9.17	-21.46
C=CC[C@@H]([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300012042384	0	34	0.0	-33.44	310.83	7.49	-25.95
C=CC[C@@H]([NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C(=O)[O-]	REAL300012042385	0	40	0.0	-34.81	337.38	9.97	-24.84
C=CC[C@@H]([NH2+]CC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	REAL300012042386	0	52	0.0	-34.16	407.68	12.05	-22.11
C=CC[C@@H]([NH2+]CC1=CC=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300012042387	0	33	0.0	-33.17	299.96	8.58	-24.59
C=CC[C@@H]([NH2+]CC1=CC2=NC=C(Br)C=C2O1)C(=O)[O-]	REAL300012042388	0	32	0.0	-32.96	294.07	6.50	-26.46
C=CC[C@@H]([NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1)C(=O)[O-]	REAL300012042389	0	35	0.0	-37.92	315.18	7.55	-30.37
C=CC[C@@H]([NH2+]CC1=CC2=CC(Br)=CC=C2S1)C(=O)[O-]	REAL300012042390	0	33	0.0	-30.95	308.77	9.33	-21.62
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C=C1Br)C(=O)[O-]	REAL300012042391	0	30	0.0	-32.28	285.03	8.30	-23.98
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC(F)=C1F)C(=O)[O-]	REAL300012042392	0	30	0.0	-36.34	283.28	7.88	-28.46
C=CC[C@@H]([NH2+]CC1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300012042393	0	30	0.0	-28.71	289.42	8.27	-20.44
C=CC[C@@H]([NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012042394	0	32	0.0	-36.35	299.63	8.47	-27.88
C=CC[C@@H]([NH2+]CC1=CC=C(Br)C(F)=C1OC)C(=O)[O-]	REAL300012042395	0	34	0.0	-36.18	306.46	7.26	-28.92
C=CC[C@@H]([NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C(=O)[O-]	REAL300012042396	0	36	0.0	-36.35	314.67	9.95	-26.40
C=CC[C@@H]([NH2+]CC1=CC=C(CN2C=C(Br)C=N2)C=C1)C(=O)[O-]	REAL300012042397	0	40	0.0	-37.64	355.60	9.45	-28.19
C=CC[C@@H]([NH2+]CC1=C(F)C=C(I)C=C1F)C(=O)[O-]	REAL300012042398	0	30	0.0	-30.12	288.53	8.34	-21.78
C=CC[C@@H]([NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1)C(=O)[O-]	REAL300012042399	0	47	0.0	-41.34	359.85	9.36	-31.98
C=CC[C@@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F)C(=O)[O-]	REAL300012042400	0	44	0.0	-29.37	357.70	10.53	-18.84
C=CC[C@@H]([NH2+]CC1=C(Br)C=CC(OC)=C1O)C(=O)[O-]	REAL300012042401	0	35	0.0	-28.13	305.79	4.81	-23.32
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012042402	0	44	0.0	-42.45	345.42	10.31	-32.14
CC(C)(C)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042403	0	51	0.0	-45.01	388.83	12.46	-32.55
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012042404	0	46	0.0	-39.37	354.74	9.87	-29.50
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012042405	0	36	0.0	-32.58	310.10	8.95	-23.63
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042406	0	49	0.0	-40.59	385.80	11.86	-28.73
N#CCCN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC=CC=C2)=N1	REAL300012042407	0	53	0.0	-44.92	420.15	12.54	-32.38
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC(F)F	REAL300012042408	0	47	0.0	-41.60	372.89	9.44	-32.16
CCOC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC	REAL300012042409	0	50	0.0	-38.41	384.99	10.08	-28.33
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012042410	0	53	0.0	-36.50	415.31	13.34	-23.16
CCCCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042411	0	55	0.0	-37.03	419.96	12.53	-24.50
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012042412	0	48	0.0	-38.38	395.52	12.61	-25.77
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012042413	0	48	0.0	-39.51	395.51	12.61	-26.90
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Br	REAL300012042414	0	43	0.0	-49.98	362.55	10.10	-39.88
CC(C)OC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042415	0	49	0.0	-35.39	372.25	10.89	-24.50
CCCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012042416	0	56	0.0	-38.17	427.98	11.66	-26.51
CCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012042417	0	53	0.0	-38.20	406.48	10.88	-27.32
C=CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012042418	0	51	0.0	-38.56	397.89	10.67	-27.89
CCCCCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012042419	0	62	0.0	-38.08	470.98	13.23	-24.85
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012042420	0	46	0.0	-34.15	384.05	12.46	-21.69
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012042421	0	46	0.0	-33.10	384.78	12.54	-20.56
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012042422	0	46	0.0	-33.68	390.90	13.32	-20.36
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012042423	0	49	0.0	-36.48	390.76	11.70	-24.78
CCC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C2=CC=CC=C2O1	REAL300012042424	0	48	0.0	-44.41	377.73	12.09	-32.32
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012042425	0	48	0.0	-37.46	391.44	13.23	-24.23
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012042426	0	45	0.0	-32.02	378.88	10.94	-21.08
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012042427	0	43	0.0	-40.06	349.83	9.83	-30.23
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012042428	0	43	0.0	-49.26	369.03	11.60	-37.66
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C([N+](=O)[O-])C=C1O	REAL300012042429	0	46	0.0	-49.46	357.70	7.61	-41.85
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(Cl)=C1	REAL300012042430	0	43	0.0	-45.62	354.95	9.86	-35.76
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012042431	0	43	0.0	-49.33	358.63	9.93	-39.40
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012042432	0	48	0.0	-38.87	402.36	13.47	-25.40
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012042433	0	48	0.0	-49.86	405.48	13.48	-36.38
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012042434	0	46	0.0	-41.68	361.18	9.94	-31.74
CC1=CC=C(C2=NNC=C2C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042435	0	49	0.0	-39.54	376.42	10.56	-28.98
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012042436	0	43	0.0	-45.10	352.76	9.14	-35.96
COC1=CC=C(C2=NNC=C2C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042437	0	50	0.0	-39.45	384.58	9.18	-30.27
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012042438	0	42	0.0	-45.43	349.53	11.51	-33.92
CCOC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=NN1CC(C)C	REAL300012042439	0	58	0.0	-31.22	431.33	10.33	-20.89
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012042440	0	45	0.0	-37.40	349.22	10.40	-27.00
CC1=CC=C(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)O2)C=C1	REAL300012042441	0	49	0.0	-33.55	389.30	12.65	-20.90
CC1=CC=C(C2=NNC=C2C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300012042442	0	46	0.0	-45.56	366.39	8.96	-36.60
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012042443	0	45	0.0	-44.87	347.37	7.93	-36.94
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012042444	0	52	0.0	-44.19	398.88	9.01	-35.18
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012042445	0	54	0.0	-40.38	412.43	10.55	-29.83
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012042446	0	36	0.0	-32.78	313.60	9.75	-23.03
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012042447	0	46	0.0	-34.22	380.58	12.87	-21.35
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012042448	0	44	0.0	-43.25	352.52	10.66	-32.59
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012042449	0	52	0.0	-43.70	415.37	11.77	-31.93
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042450	0	48	0.0	-33.35	369.15	8.97	-24.38
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012042451	0	46	0.0	-52.38	370.99	11.34	-41.04
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012042452	0	45	0.0	-46.47	357.40	12.46	-34.01
CC(C)N1N=CC2=CC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=C(Cl)N=C21	REAL300012042453	0	50	0.0	-35.68	396.11	10.66	-25.02
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012042454	0	46	0.0	-45.45	397.39	13.44	-32.01
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012042455	0	46	0.0	-46.00	389.83	13.09	-32.91
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012042456	0	39	0.0	-38.03	317.53	10.09	-27.94
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012042457	0	42	0.0	-44.13	363.55	11.62	-32.51
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012042458	0	39	0.0	-46.34	331.87	10.63	-35.71
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012042459	0	39	0.0	-51.43	335.22	10.70	-40.73
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012042460	0	42	0.0	-53.56	357.13	11.17	-42.39
CCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042461	0	46	0.0	-38.91	355.75	10.18	-28.73
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1F	REAL300012042462	0	42	0.0	-47.92	339.35	10.85	-37.07
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012042463	0	39	0.0	-34.72	334.90	10.96	-23.76
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012042464	0	42	0.0	-41.47	333.16	10.80	-30.67
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012042465	0	39	0.0	-42.25	323.12	10.12	-32.13
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012042466	0	42	0.0	-38.06	349.59	11.02	-27.04
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012042467	0	42	0.0	-46.18	356.15	11.19	-34.99
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(Cl)=C1OC	REAL300012042468	0	47	0.0	-42.47	379.61	9.75	-32.72
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012042469	0	42	0.0	-45.78	350.20	11.67	-34.11
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012042470	0	39	0.0	-51.45	335.22	10.71	-40.74
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012042471	0	43	0.0	-46.28	367.31	10.27	-36.01
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012042472	0	46	0.0	-47.57	397.20	13.43	-34.14
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012042473	0	49	0.0	-43.49	380.93	8.53	-34.96
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012042474	0	38	0.0	-45.81	319.56	8.76	-37.05
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OCC(F)(F)F	REAL300012042475	0	50	0.0	-40.43	404.56	10.55	-29.88
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012042476	0	52	0.0	-51.13	418.78	11.65	-39.48
CC(C)C1=NN(C)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042477	0	48	0.0	-39.29	372.52	9.71	-29.58
CC(C)C1=NN(C)C(Cl)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042478	0	48	0.0	-43.69	392.73	10.07	-33.62
COCCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042479	0	50	0.0	-41.10	389.37	9.45	-31.65
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Cl	REAL300012042480	0	43	0.0	-50.08	358.16	9.99	-40.09
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012042481	0	44	0.0	-32.34	367.90	9.01	-23.33
CC(C)N1C2=CC=CC=C2N=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042482	0	51	0.0	-46.70	394.02	11.71	-34.99
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012042483	0	55	0.0	-39.07	422.38	9.86	-29.21
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012042484	0	46	0.0	-41.95	375.31	10.65	-31.30
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012042485	0	45	0.0	-45.51	355.58	9.32	-36.19
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012042486	0	48	0.0	-39.63	365.58	9.99	-29.64
CCCN1C2=CC=CC=C2N=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042487	0	51	0.0	-34.06	394.82	12.09	-21.97
CCCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042488	0	49	0.0	-38.73	377.24	10.98	-27.75
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012042489	0	46	0.0	-46.11	378.67	12.72	-33.39
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012042490	0	53	0.0	-45.74	406.65	12.35	-33.39
CC(C)OC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042491	0	49	0.0	-38.75	372.65	10.80	-27.95
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012042492	0	52	0.0	-46.37	415.91	11.92	-34.45
CC1=CC=C(C2=NC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CS2)C=C1	REAL300012042493	0	48	0.0	-31.04	393.39	11.52	-19.52
CC(C)C1=NC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CS1	REAL300012042494	0	44	0.0	-29.84	355.40	9.12	-20.72
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012042495	0	53	0.0	-39.10	419.37	13.40	-25.70
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012042496	0	49	0.0	-32.30	404.06	10.39	-21.91
CC1=CC=C(OCC2=NC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CS2)C=C1	REAL300012042497	0	52	0.0	-32.32	425.47	11.06	-21.26
CC(C)(C)C1=NC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CS1	REAL300012042498	0	47	0.0	-29.77	373.82	9.59	-20.18
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012042499	0	42	0.0	-30.78	363.51	9.82	-20.96
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012042500	0	46	0.0	-48.48	386.88	12.98	-35.50
CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042501	0	53	0.0	-49.26	412.39	10.86	-38.40
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012042502	0	53	0.0	-43.00	406.05	12.38	-30.62
CC1=CC=C(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)S2)C=C1	REAL300012042503	0	49	0.0	-33.23	395.58	13.48	-19.75
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012042504	0	45	0.0	-52.65	378.79	10.43	-42.22
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042505	0	43	0.0	-36.73	367.48	10.41	-26.32
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012042506	0	39	0.0	-34.50	339.46	11.07	-23.43
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012042507	0	39	0.0	-33.63	338.29	11.04	-22.59
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012042508	0	50	0.0	-48.63	414.09	13.09	-35.54
CCOC1=C(OC)C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012042509	0	54	0.0	-40.85	417.89	10.01	-30.84
COCCCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042510	0	53	0.0	-40.83	410.92	10.05	-30.78
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CN=C1Cl	REAL300012042511	0	41	0.0	-41.99	334.15	9.16	-32.83
COC1=CC=C(OC(F)F)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042512	0	47	0.0	-45.91	380.05	9.05	-36.86
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012042513	0	43	0.0	-27.92	354.25	9.89	-18.03
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC1=CC=CN=C1	REAL300012042514	0	52	0.0	-50.78	416.26	11.86	-38.92
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012042515	0	57	0.0	-48.24	446.94	11.25	-36.99
CC1=CC=C(C2=NC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)S2)C=C1	REAL300012042516	0	48	0.0	-35.78	393.01	11.73	-24.05
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012042517	0	44	0.0	-43.94	369.22	11.15	-32.79
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012042518	0	44	0.0	-45.23	358.13	10.70	-34.53
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012042519	0	44	0.0	-44.61	358.92	10.71	-33.90
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012042520	0	44	0.0	-44.65	366.97	11.08	-33.57
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012042521	0	46	0.0	-35.10	382.39	12.15	-22.95
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300012042522	0	49	0.0	-34.23	394.85	12.73	-21.50
CCC1=CC=C(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)O2)C=C1	REAL300012042523	0	52	0.0	-33.38	410.78	13.42	-19.96
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(OC(F)F)=C1	REAL300012042524	0	47	0.0	-39.79	372.95	8.91	-30.88
COC1=CC=C2OC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CC2=C1	REAL300012042525	0	46	0.0	-48.68	369.98	9.95	-38.73
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012042526	0	43	0.0	-38.15	355.45	11.90	-26.25
CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C2=CC=CC=C2O1	REAL300012042527	0	45	0.0	-33.33	348.86	10.89	-22.44
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012042528	0	42	0.0	-47.40	340.55	10.51	-36.89
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012042529	0	47	0.0	-35.04	371.94	11.72	-23.32
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Br	REAL300012042530	0	42	0.0	-46.94	352.12	11.32	-35.62
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012042531	0	43	0.0	-41.87	349.98	11.44	-30.43
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1Br	REAL300012042532	0	42	0.0	-36.78	343.89	11.14	-25.64
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012042533	0	46	0.0	-32.88	366.54	11.20	-21.68
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012042534	0	36	0.0	-30.18	300.73	9.16	-21.02
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012042535	0	44	0.0	-44.15	365.13	10.48	-33.67
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012042536	0	43	0.0	-36.40	345.04	10.06	-26.34
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012042537	0	43	0.0	-38.12	344.27	10.11	-28.01
CCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012042538	0	45	0.0	-31.30	356.55	7.66	-23.64
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC2=CC=CN=C12	REAL300012042539	0	47	0.0	-41.67	365.53	11.14	-30.53
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1Cl	REAL300012042540	0	42	0.0	-36.84	339.85	11.05	-25.79
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012042541	0	41	0.0	-40.09	336.42	9.44	-30.65
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)O2)C=C1	REAL300012042542	0	58	0.0	-33.18	444.01	14.30	-18.88
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042543	0	59	0.0	-29.13	428.56	12.32	-16.81
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042544	0	59	0.0	-32.57	446.48	13.12	-19.45
CCCC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042545	0	48	0.0	-45.11	377.20	12.33	-32.78
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042546	0	57	0.0	-36.55	435.92	14.63	-21.92
CCN(CC)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1F	REAL300012042547	0	53	0.0	-35.64	403.64	11.01	-24.63
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C(SC)C=C1OC	REAL300012042548	0	51	0.0	-45.68	406.97	10.28	-35.40
COC1=CC=C2N=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)SC2=C1	REAL300012042549	0	45	0.0	-46.24	374.28	8.94	-37.30
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042550	0	45	0.0	-48.48	376.62	11.00	-37.48
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C#N	REAL300012042551	0	44	0.0	-40.56	354.08	9.67	-30.89
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012042552	0	43	0.0	-36.45	353.93	11.20	-25.25
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042553	0	45	0.0	-44.78	362.64	11.69	-33.09
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012042554	0	43	0.0	-52.09	358.11	9.78	-42.31
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)N=C1	REAL300012042555	0	45	0.0	-31.79	354.02	8.45	-23.34
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042556	0	45	0.0	-37.02	357.52	11.58	-25.44
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC(Cl)=C1OC	REAL300012042557	0	47	0.0	-41.68	382.84	9.78	-31.90
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCC(C)C	REAL300012042558	0	56	0.0	-38.00	426.59	11.56	-26.44
CCCOC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC	REAL300012042559	0	53	0.0	-38.15	406.49	10.88	-27.27
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)S1	REAL300012042560	0	36	0.0	-32.72	318.23	9.86	-22.86
CCOC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC(Cl)=C1OC	REAL300012042561	0	50	0.0	-41.78	404.95	10.72	-31.06
C=CCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042562	0	47	0.0	-39.14	368.65	10.76	-28.38
COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1OC(C)C	REAL300012042563	0	53	0.0	-37.32	392.62	10.65	-26.67
CCOC1=C(Cl)C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012042564	0	50	0.0	-41.95	404.95	10.76	-31.19
CCCOC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=CC=C1OCC	REAL300012042565	0	56	0.0	-38.29	424.46	11.73	-26.56
CCCCOC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC	REAL300012042566	0	56	0.0	-38.37	428.13	11.67	-26.70
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC(F)F	REAL300012042567	0	47	0.0	-35.27	371.80	9.40	-25.87
CCOC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC(F)F	REAL300012042568	0	50	0.0	-41.41	394.74	10.36	-31.05
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC(C)=C1OC(F)F	REAL300012042569	0	49	0.0	-48.35	389.87	11.13	-37.22
CCOC1=CC2=C(C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1)OC(C)C2	REAL300012042570	0	54	0.0	-44.08	419.57	11.01	-33.07
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC2=C1OCCO2	REAL300012042571	0	49	0.0	-39.02	378.09	8.98	-30.04
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012042572	0	48	0.0	-36.21	402.13	11.52	-24.69
CCCCN1N=C(C)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Cl	REAL300012042573	0	51	0.0	-34.54	403.85	10.91	-23.63
CCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1OC(F)F	REAL300012042574	0	50	0.0	-37.78	393.89	10.43	-27.35
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012042575	0	57	0.0	-51.60	446.85	12.29	-39.31
CC1=CC(C)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C	REAL300012042576	0	48	0.0	-43.24	366.12	11.94	-31.30
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012042577	0	46	0.0	-33.32	374.18	12.80	-20.52
CCCOC1=C(Cl)C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012042578	0	53	0.0	-41.80	426.46	11.56	-30.24
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012042579	0	46	0.0	-35.74	382.61	12.16	-23.58
CC(C)(C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012042580	0	48	0.0	-34.03	351.12	11.61	-22.42
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2CCCCC2)=N1	REAL300012042581	0	55	0.0	-47.49	419.66	11.64	-35.85
CC(CCC1=CC=CC=C1)C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042582	0	51	0.0	-37.22	387.01	12.97	-24.25
CCC1CCCC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012042583	0	51	0.0	-46.82	366.08	11.43	-35.39
CC1(C)CCC2=C(C1)SC(C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1)=N2	REAL300012042584	0	51	0.0	-43.20	396.86	10.78	-32.42
CCC1=CC=CC(Cl)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042585	0	45	0.0	-31.39	356.87	11.77	-19.62
CC1=C(C)C=C2OC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CC2=C1	REAL300012042586	0	48	0.0	-34.03	373.83	11.81	-22.22
CCCC1CCC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012042587	0	54	0.0	-46.76	394.11	12.46	-34.30
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012042588	0	46	0.0	-40.22	371.48	10.39	-29.83
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012042589	0	46	0.0	-53.90	368.59	12.52	-41.38
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012042590	0	46	0.0	-33.88	376.32	12.10	-21.78
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012042591	0	45	0.0	-39.58	364.58	9.63	-29.95
CCCCC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C2=CC=CC=C2O1	REAL300012042592	0	54	0.0	-45.54	425.41	13.60	-31.94
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012042593	0	52	0.0	-55.94	419.50	14.80	-41.14
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042594	0	52	0.0	-50.17	414.38	12.27	-37.90
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012042595	0	48	0.0	-39.55	383.25	10.44	-29.11
COC1=CC=C(C)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042596	0	46	0.0	-42.70	362.24	10.16	-32.54
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1F	REAL300012042597	0	43	0.0	-51.71	348.36	9.51	-42.20
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012042598	0	48	0.0	-38.62	361.27	11.15	-27.47
CC(C)C1CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)CCO1	REAL300012042599	0	52	0.0	-38.64	372.29	9.91	-28.73
CC1(C)CCC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012042600	0	51	0.0	-35.39	362.97	11.32	-24.07
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012042601	0	46	0.0	-55.75	389.78	10.90	-44.85
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012042602	0	45	0.0	-53.41	388.76	10.67	-42.74
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012042603	0	45	0.0	-51.38	388.13	10.53	-40.85
CCSC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042604	0	46	0.0	-39.08	366.06	11.81	-27.27
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012042605	1	40	0.0	-48.39	343.80	7.86	-40.53
COC1(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)CCCCC1	REAL300012042606	0	49	0.0	-43.64	355.54	9.50	-34.14
CCN1N=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C2=CC=CC=C21	REAL300012042607	0	48	0.0	-32.59	378.83	10.83	-21.76
COCCC1(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)CCCCC1	REAL300012042608	0	55	0.0	-31.99	374.75	10.42	-21.57
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012042609	0	36	0.0	-35.04	334.15	10.34	-24.70
CCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042610	0	49	0.0	-37.06	376.96	10.96	-26.10
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042611	0	52	0.0	-35.30	419.75	12.34	-22.96
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012042612	0	42	0.0	-34.08	335.53	10.60	-23.48
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012042613	0	46	0.0	-33.63	367.33	11.94	-21.69
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC(C)C	REAL300012042614	0	53	0.0	-38.14	402.23	10.70	-27.44
CCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCC	REAL300012042615	0	56	0.0	-38.11	428.34	11.80	-26.31
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012042616	0	44	0.0	-36.93	348.46	11.19	-25.74
CC(C)OC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042617	0	49	0.0	-47.19	383.51	11.03	-36.16
CCCCCCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042618	0	61	0.0	-37.02	462.95	14.09	-22.93
CC(C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012042619	0	60	0.0	-36.07	436.29	14.28	-21.79
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1F	REAL300012042620	0	42	0.0	-37.74	331.12	10.66	-27.08
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012042621	0	43	0.0	-34.26	336.52	9.98	-24.28
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(Br)C=CS1	REAL300012042622	0	36	0.0	-33.25	315.44	9.62	-23.63
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012042623	0	52	0.0	-43.94	394.46	9.56	-34.38
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012042624	0	39	0.0	-34.17	327.97	10.60	-23.57
CC(C)CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042625	0	51	0.0	-44.96	393.78	12.82	-32.14
CC1=CC=C(C2=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=C2)C=C1	REAL300012042626	0	52	0.0	-36.08	399.99	14.05	-22.03
COC1=CC=C(Br)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042627	0	43	0.0	-31.67	353.89	9.89	-21.78
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012042628	0	45	0.0	-41.11	359.88	10.69	-30.42
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012042629	0	39	0.0	-48.60	346.27	11.13	-37.47
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012042630	0	39	0.0	-37.23	327.26	10.52	-26.71
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012042631	0	36	0.0	-46.86	315.09	8.91	-37.95
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042632	0	52	0.0	-34.40	400.48	14.04	-20.36
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012042633	0	43	0.0	-39.95	343.63	9.54	-30.41
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCC	REAL300012042634	0	53	0.0	-38.31	406.84	11.00	-27.31
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012042635	0	39	0.0	-47.42	335.00	10.67	-36.75
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012042636	0	42	0.0	-52.59	364.71	11.53	-41.06
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012042637	0	39	0.0	-45.74	335.49	10.74	-35.00
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012042638	0	43	0.0	-48.75	358.63	9.93	-38.82
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012042639	0	39	0.0	-37.54	327.84	10.53	-27.01
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042640	0	53	0.0	-48.28	420.83	13.20	-35.08
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012042641	0	39	0.0	-50.07	325.63	10.26	-39.81
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012042642	0	39	0.0	-46.68	333.31	10.68	-36.00
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C2=CC=CC=C12	REAL300012042643	0	49	0.0	-46.11	382.19	11.60	-34.51
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012042644	0	46	0.0	-43.61	369.32	10.20	-33.41
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012042644	1	46	0.0	-34.91	357.09	10.06	-24.85
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012042645	0	39	0.0	-47.69	323.42	10.24	-37.45
CN1C2=CC=CC=C2N=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042646	0	45	0.0	-48.15	359.89	10.49	-37.66
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012042647	0	42	0.0	-37.71	331.50	6.65	-31.06
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(Br)=C1O	REAL300012042648	0	44	0.0	-46.90	368.21	7.84	-39.06
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012042649	0	44	0.0	-38.34	340.31	9.79	-28.55
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(Br)=C1	REAL300012042650	0	36	0.0	-34.41	316.79	9.66	-24.75
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012042651	0	49	0.0	-47.29	387.03	13.53	-33.76
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012042652	0	52	0.0	-38.24	410.30	11.55	-26.69
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012042653	0	50	0.0	-36.49	378.38	9.87	-26.62
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012042654	0	43	0.0	-36.15	336.37	10.01	-26.14
CC1=CC(F)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042655	0	42	0.0	-36.16	325.07	10.64	-25.52
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012042656	0	39	0.0	-51.46	339.64	10.80	-40.66
CC1=NC(C)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012042657	0	41	0.0	-34.17	332.18	8.49	-25.68
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012042658	0	48	0.0	-47.75	384.36	12.01	-35.74
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012042659	0	48	0.0	-41.72	373.59	11.60	-30.12
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012042660	0	48	0.0	-40.32	373.77	11.61	-28.71
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042661	0	54	0.0	-32.52	393.14	10.41	-22.11
CN1CCN(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2)CC1	REAL300012042662	1	56	0.0	-35.90	413.32	8.64	-27.26
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012042663	0	48	0.0	-51.34	393.81	8.62	-42.72
CNC(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042664	0	46	0.0	-55.22	369.11	8.41	-46.81
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012042665	0	46	0.0	-43.26	370.82	11.27	-31.99
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042666	0	52	0.0	-49.70	424.70	12.71	-36.99
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012042667	0	46	0.0	-42.58	381.14	11.73	-30.85
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042668	0	52	0.0	-43.21	410.01	12.22	-30.99
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012042669	0	46	0.0	-40.85	375.04	10.63	-30.22
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012042670	0	45	0.0	-37.09	350.39	12.20	-24.89
COC1=C2OC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CC2=CC=C1	REAL300012042671	0	46	0.0	-34.79	365.03	9.90	-24.89
CC(C)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012042672	0	50	0.0	-56.07	398.95	12.67	-43.40
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012042673	0	42	0.0	-52.31	360.17	9.40	-42.91
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042674	0	55	0.0	-48.69	430.46	12.57	-36.12
CCOC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OCC(C)C	REAL300012042675	0	59	0.0	-37.85	448.44	12.48	-25.37
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012042676	0	39	0.0	-37.26	332.41	10.64	-26.62
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012042677	0	39	0.0	-47.37	339.57	10.77	-36.60
COC1=CC(OC)=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042678	0	47	0.0	-47.20	371.81	8.73	-38.47
COC1=CC2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2C=C1	REAL300012042679	0	49	0.0	-37.88	379.72	11.49	-26.39
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Br)=CS1	REAL300012042681	0	36	0.0	-45.67	324.32	9.87	-35.80
CCCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCC	REAL300012042682	0	59	0.0	-37.98	449.84	12.58	-25.40
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042683	0	52	0.0	-39.45	397.30	11.99	-27.46
COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1OC(F)F	REAL300012042684	0	47	0.0	-37.76	371.80	9.53	-28.23
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012042685	0	43	0.0	-48.08	373.16	10.71	-37.37
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012042686	0	45	0.0	-49.43	362.97	9.18	-40.25
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012042688	0	39	0.0	-51.30	339.64	10.79	-40.51
CC1=CC=C(COC2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2)C=C1	REAL300012042689	0	56	0.0	-48.69	445.31	14.09	-34.60
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012042690	0	54	0.0	-35.35	397.04	11.22	-24.13
CCCCCCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042691	0	58	0.0	-38.63	441.74	13.32	-25.31
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1SC	REAL300012042692	0	47	0.0	-38.22	373.30	10.31	-27.91
N#CCCCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042693	0	50	0.0	-46.16	398.10	11.50	-34.66
CCCCCOC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC	REAL300012042694	0	59	0.0	-38.31	449.62	12.45	-25.86
CCC(C)OC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC	REAL300012042695	0	56	0.0	-38.16	422.01	11.45	-26.71
CCCCCCCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042696	0	61	0.0	-38.65	463.24	14.11	-24.54
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCCCC#N	REAL300012042697	0	54	0.0	-49.97	427.34	11.40	-38.57
C=C(C)COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC	REAL300012042698	0	54	0.0	-39.16	417.30	11.44	-27.72
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCCC(C)C	REAL300012042699	0	59	0.0	-38.49	442.15	12.08	-26.41
C=CCC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC(OC)=C1O	REAL300012042700	0	51	0.0	-39.00	399.23	9.10	-29.90
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012042701	0	46	0.0	-39.04	365.67	10.01	-29.03
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042702	0	48	0.0	-50.87	390.89	11.08	-39.79
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042703	0	49	0.0	-40.03	393.23	8.25	-31.78
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012042704	0	45	0.0	-50.79	365.54	9.96	-40.83
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012042705	0	45	0.0	-45.95	375.78	10.89	-35.06
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012042706	0	52	0.0	-51.13	406.68	9.27	-41.86
CN1C=NC2=CC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CC=C21	REAL300012042707	0	45	0.0	-45.42	352.71	11.29	-34.13
CCN1N=C(C)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1C	REAL300012042708	0	48	0.0	-47.40	376.36	9.77	-37.63
C=CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Cl	REAL300012042709	0	47	0.0	-50.32	392.92	11.50	-38.82
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012042710	0	45	0.0	-35.96	371.63	11.06	-24.90
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C2OC(C)CC2=C1	REAL300012042711	0	51	0.0	-38.66	391.94	9.86	-28.80
CC1(C)CC2=CC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CC=C2O1	REAL300012042712	0	50	0.0	-48.37	390.22	11.37	-37.00
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012042713	0	45	0.0	-32.36	364.31	8.52	-23.84
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012042714	0	42	0.0	-30.64	364.10	9.91	-20.73
CC1=CC=CC(C2=NNC=C2C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042715	0	49	0.0	-38.85	371.89	10.33	-28.52
CC1=CC=C(F)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042716	0	42	0.0	-43.26	338.50	10.85	-32.41
CC1=CC=C(F)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042717	0	42	0.0	-32.62	324.29	10.60	-22.02
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012042718	0	42	0.0	-37.22	359.91	11.46	-25.76
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012042719	0	39	0.0	-45.70	346.77	11.18	-34.52
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(Br)=C1	REAL300012042720	0	42	0.0	-35.76	343.02	11.20	-24.56
CC(C)COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042721	0	52	0.0	-36.89	397.07	11.66	-25.23
COCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042722	0	50	0.0	-39.61	389.09	9.43	-30.18
CC1(C)CCCC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012042723	0	51	0.0	-35.17	362.06	11.25	-23.92
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012042724	0	43	0.0	-50.76	367.92	10.26	-40.50
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012042725	0	47	0.0	-38.32	400.67	11.55	-26.77
CN1N=C(C2=CC=CC=C2)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Cl	REAL300012042726	0	49	0.0	-29.92	378.33	10.82	-19.10
CC1=CCCC(C)C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042727	0	49	0.0	-46.59	353.14	11.11	-35.48
COC1=CC2=C(C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1)OCO2	REAL300012042728	0	46	0.0	-47.25	366.86	8.15	-39.10
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012042729	0	44	0.0	-45.69	349.03	10.49	-35.20
CC(C)COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042730	0	52	0.0	-38.55	397.35	11.68	-26.87
CC1=CC(Cl)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042731	0	42	0.0	-35.33	335.40	11.08	-24.25
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012042732	0	43	0.0	-38.93	345.13	11.45	-27.48
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012042733	0	38	0.0	-38.00	316.18	8.60	-29.40
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012042734	0	38	0.0	-49.43	328.80	8.96	-40.47
CN1N=NC2=CC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CC=C21	REAL300012042735	0	44	0.0	-55.51	356.80	8.57	-46.94
CC1(C)CC2=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=C2O1	REAL300012042736	0	50	0.0	-42.81	389.84	11.34	-31.47
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012042737	0	44	0.0	-44.10	369.69	10.59	-33.51
COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012042738	0	42	0.0	-31.48	333.93	6.71	-24.77
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC=CC=C2)=N1	REAL300012042739	0	49	0.0	-39.04	377.77	11.17	-27.87
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012042740	0	46	0.0	-50.04	371.05	11.33	-38.71
CC(C)N1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012042741	0	45	0.0	-35.21	348.66	9.19	-26.02
CC1=C(Br)SC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042742	0	39	0.0	-32.41	337.92	10.47	-21.94
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012042743	0	44	0.0	-44.71	371.03	11.17	-33.54
CC1=NC2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2C=C1	REAL300012042744	0	47	0.0	-51.31	375.33	11.10	-40.21
COC1=CC=C(OC2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2)C=C1	REAL300012042745	0	54	0.0	-40.15	422.52	12.10	-28.05
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012042746	0	41	0.0	-42.17	336.44	9.20	-32.97
CC1=CC(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2)=CC(C)=C1	REAL300012042747	0	55	0.0	-47.74	429.65	14.87	-32.87
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1N1C=NC=N1	REAL300012042748	0	48	0.0	-55.27	386.47	13.66	-41.61
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012042749	0	42	0.0	-48.92	346.92	10.73	-38.19
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012042750	0	46	0.0	-43.18	368.48	10.48	-32.70
COCC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042751	0	46	0.0	-47.42	367.87	9.84	-37.58
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042752	0	49	0.0	-50.19	408.59	12.39	-37.80
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012042753	0	53	0.0	-40.89	422.07	13.31	-27.58
CCCCOC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042754	0	52	0.0	-36.24	398.54	11.85	-24.39
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012042755	0	50	0.0	-49.59	413.37	14.25	-35.34
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C(OC(F)F)C=C1C	REAL300012042756	0	49	0.0	-44.93	389.68	11.00	-33.93
COC1=CC(C)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012042757	0	50	0.0	-48.28	386.13	9.92	-38.36
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042758	0	45	0.0	-49.64	376.69	11.01	-38.63
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042759	0	45	0.0	-43.04	374.09	8.21	-34.83
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042760	0	48	0.0	-49.31	395.99	9.81	-39.50
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012042761	0	43	0.0	-37.98	343.73	8.83	-29.15
CSC1=CC(Br)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042762	0	43	0.0	-44.36	369.79	11.67	-32.69
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012042763	0	49	0.0	-37.56	397.19	11.77	-25.79
CC1CCC2=C(C1)SC(C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1)=N2	REAL300012042764	0	48	0.0	-36.86	376.69	10.41	-26.45
CC(C)(C)C1CCC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012042765	0	57	0.0	-46.79	395.32	12.19	-34.60
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042766	0	53	0.0	-45.40	414.97	12.92	-32.48
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042767	0	53	0.0	-36.51	407.84	12.76	-23.75
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042768	0	52	0.0	-48.05	410.10	11.15	-36.90
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012042769	0	50	0.0	-37.39	387.14	11.74	-25.65
COC1=CC(Cl)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Cl	REAL300012042770	0	43	0.0	-33.95	353.99	9.90	-24.05
CC(C)CC1=NC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012042771	0	47	0.0	-45.88	379.02	10.09	-35.79
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012042772	0	42	0.0	-35.13	364.24	10.17	-24.96
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012042773	0	42	0.0	-46.93	368.79	10.11	-36.82
CC1=CC=C(C2=NC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)S2)O1	REAL300012042774	0	45	0.0	-48.65	382.34	10.06	-38.59
CC1=CC(Br)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042775	0	42	0.0	-35.35	339.96	11.18	-24.17
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012042776	0	39	0.0	-50.38	348.76	11.21	-39.17
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012042777	0	46	0.0	-47.50	375.49	10.06	-37.44
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012042778	0	48	0.0	-44.99	380.47	11.67	-33.32
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012042779	0	42	0.0	-31.41	344.16	10.71	-20.70
COCCOC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042780	0	50	0.0	-36.65	389.19	9.55	-27.10
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012042781	0	39	0.0	-45.14	345.82	11.18	-33.96
COC1=C(Br)C=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042782	0	43	0.0	-39.42	355.09	10.02	-29.40
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012042783	0	42	0.0	-44.15	343.26	9.29	-34.86
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC=CS2)=N1	REAL300012042784	0	46	0.0	-44.62	375.73	10.45	-34.17
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012042785	0	53	0.0	-43.89	422.18	12.90	-30.99
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012042786	0	50	0.0	-32.34	404.67	13.10	-19.24
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042787	0	58	0.0	-37.34	424.70	13.33	-24.01
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012042788	0	46	0.0	-34.72	373.73	12.01	-22.71
CC(C)(C)C1=NC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012042789	0	47	0.0	-34.87	373.46	9.82	-25.05
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012042790	0	45	0.0	-40.59	348.89	9.11	-31.48
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012042791	0	39	0.0	-47.20	333.92	10.75	-36.45
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012042792	0	39	0.0	-47.23	329.36	10.65	-36.58
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012042793	0	46	0.0	-41.95	364.40	11.21	-30.74
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012042794	0	49	0.0	-44.23	402.43	12.13	-32.10
CC(C)(C)N1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012042795	0	48	0.0	-39.71	368.34	9.81	-29.90
CC(=O)NC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042796	0	46	0.0	-53.06	368.96	9.02	-44.04
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012042797	0	39	0.0	-30.04	309.15	10.03	-20.01
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012042798	0	41	0.0	-55.66	340.85	10.81	-44.85
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012042799	0	41	0.0	-57.22	340.84	10.81	-46.41
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012042800	0	45	0.0	-37.17	345.79	12.12	-25.05
CN(C)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042801	0	47	0.0	-35.15	356.62	10.36	-24.79
CCN(CC)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042802	0	53	0.0	-44.73	407.76	12.44	-32.29
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012042803	0	39	0.0	-48.27	333.92	10.76	-37.51
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012042804	0	39	0.0	-48.19	329.36	10.65	-37.54
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC(OC)=C1OC	REAL300012042805	0	51	0.0	-40.90	396.04	9.07	-31.83
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012042806	0	39	0.0	-31.09	321.84	10.27	-20.82
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012042807	0	43	0.0	-36.66	343.49	9.63	-27.03
COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1OC	REAL300012042808	0	47	0.0	-39.87	363.88	9.23	-30.64
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012042809	0	39	0.0	-45.72	342.20	11.07	-34.65
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012042810	0	52	0.0	-47.71	396.63	8.97	-38.74
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012042811	0	47	0.0	-38.60	363.13	9.16	-29.44
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(OC)=C1	REAL300012042812	0	47	0.0	-45.32	370.30	8.78	-36.54
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012042813	0	42	0.0	-38.54	342.85	10.94	-27.60
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012042814	0	39	0.0	-47.97	324.68	10.22	-37.75
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012042815	0	39	0.0	-44.58	339.71	11.07	-33.51
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012042816	0	39	0.0	-50.44	344.55	11.11	-39.33
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012042817	0	43	0.0	-37.16	343.36	9.52	-27.64
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012042818	0	42	0.0	-40.26	327.17	10.71	-29.55
CCCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042819	0	52	0.0	-37.17	398.46	11.74	-25.43
CC(C)CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042820	0	55	0.0	-36.98	416.03	12.27	-24.71
CCCCCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042821	0	58	0.0	-37.05	441.46	13.31	-23.74
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012042822	0	50	0.0	-49.98	402.21	13.01	-36.97
CCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(OCCC)=C1	REAL300012042823	0	59	0.0	-37.74	449.89	12.09	-25.65
CC(=CC1=CC=CC=C1)C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042824	0	46	0.0	-35.60	352.69	11.77	-23.83
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012042825	0	50	0.0	-38.40	384.98	10.08	-28.32
CC(C)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042826	0	48	0.0	-44.97	372.85	12.07	-32.90
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012042827	0	42	0.0	-41.53	343.11	10.95	-30.58
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(OC)=C1OC	REAL300012042828	0	51	0.0	-47.13	404.58	9.33	-37.80
CCOC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042829	0	46	0.0	-35.93	355.58	10.27	-25.66
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042830	0	46	0.0	-37.32	355.46	10.16	-27.16
COC1=CC=C(Br)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042831	0	43	0.0	-44.32	362.12	10.11	-34.21
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC(Br)=C1O	REAL300012042832	0	44	0.0	-41.79	365.06	7.74	-34.05
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012042833	0	49	0.0	-47.70	386.84	13.54	-34.16
COC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C2=CC=CC=C2C=C1	REAL300012042834	0	49	0.0	-41.64	383.01	11.60	-30.04
CSC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042835	0	43	0.0	-47.51	352.85	11.16	-36.35
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CCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1OC	REAL300012042854	0	50	0.0	-39.79	385.74	10.15	-29.64
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCC(N)=O	REAL300012042855	0	51	0.0	-51.81	401.71	7.12	-44.69
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COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC2=C1OCO2	REAL300012042857	0	46	0.0	-53.29	368.21	8.08	-45.21
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COC1=CC2=C(C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1)OC(C)C2	REAL300012042859	0	51	0.0	-44.65	397.72	10.08	-34.57
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COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C	REAL300012042861	0	46	0.0	-37.32	353.93	10.00	-27.32
CC(C)(C)C1=NNC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042862	0	48	0.0	-37.28	344.88	8.55	-28.73
COC1=CC=CC(OC)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042863	0	47	0.0	-41.16	369.12	8.85	-32.31
COC1=CC=C(F)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042864	0	43	0.0	-32.82	336.42	9.14	-23.68
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CSC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012042867	0	40	0.0	-33.24	340.85	10.39	-22.85
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042868	0	52	0.0	-31.96	390.58	13.66	-18.30
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012042869	0	42	0.0	-41.67	331.18	8.63	-33.04
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012042870	0	36	0.0	-33.95	311.99	9.58	-24.37
CS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042871	0	45	0.0	-55.39	373.31	7.66	-47.73
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012042872	0	49	0.0	-37.76	395.03	13.87	-23.89
COC1=CC=C(F)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042873	0	43	0.0	-45.05	347.23	9.56	-35.49
NC(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042874	0	43	0.0	-55.08	347.17	6.91	-48.17
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1F	REAL300012042875	0	43	0.0	-52.08	348.54	9.49	-42.59
COC1=CC=C(Cl)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042876	0	43	0.0	-44.31	357.56	10.00	-34.31
COC(=O)C1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CN1C	REAL300012042877	0	46	0.0	-52.06	372.05	10.33	-41.73
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Cl	REAL300012042878	0	42	0.0	-47.02	348.09	11.24	-35.78
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1C	REAL300012042879	0	46	0.0	-47.11	362.39	10.16	-36.95
CC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1F	REAL300012042880	0	42	0.0	-40.08	331.43	10.66	-29.42
N#CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(F)=C1	REAL300012042881	0	40	0.0	-53.35	339.09	10.53	-42.82
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012042882	0	52	0.0	-40.39	408.42	11.54	-28.85
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012042883	0	38	0.0	-31.11	323.92	8.86	-22.25
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012042884	0	48	0.0	-47.90	386.47	7.43	-40.47
C#CCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042885	0	48	0.0	-37.47	382.74	11.49	-25.98
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012042886	0	42	0.0	-32.47	334.63	10.59	-21.88
CC1=NN(C)C2=NC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)C=C12	REAL300012042887	0	47	0.0	-45.24	370.75	9.69	-35.55
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012042888	0	42	0.0	-30.01	344.09	9.31	-20.70
CCC1=NC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CS1	REAL300012042889	0	41	0.0	-30.06	335.69	8.55	-21.51
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012042890	0	42	0.0	-31.96	351.35	11.10	-20.86
CCOCC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC	REAL300012042891	0	53	0.0	-46.30	416.22	10.35	-35.95
NC(=O)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042892	0	43	0.0	-52.20	347.17	6.91	-45.29
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012042893	0	42	0.0	-29.68	345.31	9.58	-20.10
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012042894	0	48	0.0	-34.61	398.52	9.55	-25.06
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1CCCCCCC1	REAL300012042895	0	51	0.0	-33.90	346.80	11.12	-22.78
COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1F	REAL300012042896	0	43	0.0	-46.55	347.51	9.46	-37.09
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012042897	0	39	0.0	-30.12	325.49	10.34	-19.78
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012042898	0	46	0.0	-34.81	349.92	11.86	-22.95
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC=C1Br	REAL300012042899	0	36	0.0	-43.33	321.16	9.62	-33.71
CC(C)COC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042900	0	52	0.0	-35.33	397.17	11.78	-23.55
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012042901	0	45	0.0	-43.52	361.15	9.86	-33.66
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012042902	0	39	0.0	-37.25	331.82	10.62	-26.63
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012042903	0	44	0.0	-51.16	353.63	10.61	-40.55
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012042904	0	39	0.0	-44.72	333.84	10.74	-33.98
COC1=CC(F)=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042905	0	43	0.0	-37.85	340.30	9.32	-28.53
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012042906	0	39	0.0	-46.66	337.73	10.79	-35.87
CC(C)(C)C1=NC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012042907	0	49	0.0	-38.59	375.92	9.91	-28.68
CS(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042908	0	44	0.0	-56.97	364.84	8.73	-48.24
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012042909	0	49	0.0	-44.96	375.33	12.63	-32.33
COC(=O)C1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CN1	REAL300012042910	0	43	0.0	-47.78	348.05	8.47	-39.31
COCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300012042911	0	43	0.0	-47.38	348.95	8.15	-39.23
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1OC	REAL300012042912	0	50	0.0	-48.32	386.37	10.00	-38.32
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012042913	0	36	0.0	-40.10	326.18	10.00	-30.10
CC1=NC(F)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042914	0	41	0.0	-50.38	328.93	8.87	-41.51
COC1=CC(C)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042915	0	46	0.0	-43.25	362.24	10.15	-33.10
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012042916	0	38	0.0	-38.11	332.69	8.44	-29.67
CS(=O)(=O)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042917	0	45	0.0	-53.84	373.32	7.65	-46.19
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012042918	0	36	0.0	-45.85	319.73	9.76	-36.09
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012042919	0	52	0.0	-45.15	396.18	13.33	-31.82
CC1=CC(Cl)=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012042920	0	42	0.0	-37.95	342.26	11.10	-26.85
COCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012042921	0	46	0.0	-47.52	367.69	9.87	-37.65
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012042922	0	46	0.0	-27.78	361.38	11.78	-16.00
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012042923	0	46	0.0	-35.06	353.34	12.04	-23.02
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O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012042925	0	49	0.0	-34.75	374.47	10.51	-24.24
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042926	0	49	0.0	-38.08	379.35	11.62	-26.46
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012042927	0	42	0.0	-48.41	344.81	11.01	-37.40
COC1=CC(C)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=N1	REAL300012042928	0	48	0.0	-46.90	373.39	7.86	-39.04
COC1=CC=CC(Cl)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042929	0	43	0.0	-32.10	343.51	9.84	-22.26
CCC1=CC(OC)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012042930	0	49	0.0	-45.26	375.83	10.71	-34.55
CC1=NC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)N1C1=CC=CC=C1	REAL300012042931	0	49	0.0	-35.14	387.91	12.31	-22.83
CCCN1N=C(C)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1C	REAL300012042932	0	51	0.0	-47.09	396.80	10.50	-36.59
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COCCN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012042934	0	46	0.0	-36.80	363.66	7.71	-29.09
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012042935	0	49	0.0	-34.88	369.87	12.53	-22.35
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC2=CC=CC=C21	REAL300012042936	0	49	0.0	-38.44	378.77	11.55	-26.89
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CCN1N=C(C)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012043005	0	44	0.0	-46.24	352.95	7.75	-38.49
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COC1=CC(OC)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1F	REAL300012043024	0	47	0.0	-47.93	376.46	8.87	-39.06
COC1=CC(F)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012043025	0	47	0.0	-47.13	375.79	9.38	-37.75
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(Cl)=C1	REAL300012043026	0	42	0.0	-36.86	339.60	11.12	-25.74
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COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(F)=C1	REAL300012043028	0	43	0.0	-47.22	347.76	9.44	-37.78
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CCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1	REAL300012043031	0	52	0.0	-35.52	391.25	11.57	-23.95
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CCC1=C2OC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CC2=CC=C1	REAL300012043034	0	48	0.0	-47.04	383.41	12.10	-34.94
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O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012043037	0	47	0.0	-47.14	378.77	11.12	-36.02
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1	REAL300012043038	0	49	0.0	-35.94	369.98	10.79	-25.15
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012043039	0	43	0.0	-39.29	349.18	9.66	-29.63
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012043040	0	43	0.0	-46.96	356.98	9.83	-37.13
COC1=NC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043041	0	42	0.0	-45.09	338.47	6.90	-38.19
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012043042	0	52	0.0	-35.11	388.64	13.16	-21.95
CN1C=C(C2=NN(C)C=C2C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012043043	0	49	0.0	-45.60	380.38	8.95	-36.65
COCC1=CSC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043044	0	43	0.0	-45.97	358.15	8.97	-37.00
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012043045	0	45	0.0	-49.29	354.81	8.60	-40.69
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012043046	0	45	0.0	-47.42	394.38	11.68	-35.74
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012043047	0	39	0.0	-40.81	335.90	10.12	-30.69
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012043048	0	39	0.0	-33.75	329.58	9.45	-24.30
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012043049	0	39	0.0	-45.72	335.28	10.24	-35.48
CN(C)C1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=CC(F)=C1F	REAL300012043050	0	47	0.0	-41.28	365.26	10.04	-31.24
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012043051	0	39	0.0	-43.23	337.84	10.61	-32.62
CC(C)OC1=CC(Cl)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Cl	REAL300012043052	0	49	0.0	-33.65	393.78	11.45	-22.20
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012043053	0	51	0.0	-49.92	398.63	9.75	-40.17
CN(C)C1=CC(F)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1F	REAL300012043054	0	47	0.0	-34.59	367.37	9.39	-25.20
COC(=O)C1=C2CCCCN2C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043055	0	53	0.0	-51.43	414.39	11.87	-39.56
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012043056	0	39	0.0	-34.84	319.13	9.98	-24.86
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC(C(F)(F)F)=C1	REAL300012043057	0	46	0.0	-36.99	372.67	10.25	-26.74
C=CCOC1=C(Cl)C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012043058	0	51	0.0	-42.10	417.85	11.33	-30.77
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC1CC1	REAL300012043059	0	51	0.0	-39.30	393.16	10.83	-28.47
CCCN1N=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043060	0	45	0.0	-33.72	348.28	9.30	-24.42
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043061	0	42	0.0	-43.32	344.68	8.40	-34.92
COCC(C)OC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043062	0	53	0.0	-37.33	405.26	10.15	-27.18
CCCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012043063	0	45	0.0	-43.96	367.72	11.60	-32.36
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012043064	0	46	0.0	-47.80	380.00	12.75	-35.05
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012043065	0	52	0.0	-36.63	402.02	11.91	-24.72
CC(C)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043066	0	48	0.0	-44.91	372.85	12.06	-32.85
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(Cl)=N1	REAL300012043067	0	39	0.0	-33.00	319.13	7.94	-25.06
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012043068	0	46	0.0	-44.68	373.47	10.53	-34.15
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C(C)(C)C	REAL300012043069	0	55	0.0	-35.37	405.05	11.95	-23.42
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012043070	0	52	0.0	-45.09	403.86	13.63	-31.46
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043071	0	47	0.0	-29.64	375.47	9.29	-20.35
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=NC=C1Br	REAL300012043072	0	41	0.0	-30.82	342.43	9.44	-21.38
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C(Br)C=C1F	REAL300012043073	0	42	0.0	-31.02	350.52	11.30	-19.72
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012043074	0	40	0.0	-29.52	328.45	7.47	-22.05
CN1C=C(C2=NC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CS2)C=N1	REAL300012043075	0	45	0.0	-34.03	377.14	8.67	-25.36
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1Cl	REAL300012043076	0	43	0.0	-50.45	358.34	9.97	-40.48
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012043077	0	49	0.0	-32.38	370.12	10.58	-21.80
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012043078	0	45	0.0	-52.19	371.94	10.03	-42.16
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012043079	0	45	0.0	-46.99	361.79	11.70	-35.29
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(Br)=N1	REAL300012043080	0	39	0.0	-33.04	320.63	7.88	-25.16
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(F)=C1	REAL300012043081	0	42	0.0	-39.94	332.52	10.70	-29.24
CC(=O)NC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043082	0	46	0.0	-54.12	368.58	9.03	-45.09
CN1N=CC2=CC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CN=C21	REAL300012043083	0	44	0.0	-44.95	348.82	9.09	-35.86
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012043084	0	38	0.0	-43.57	334.28	8.92	-34.65
COC1=CC(Cl)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012043085	0	47	0.0	-45.19	383.18	9.81	-35.38
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012043086	0	45	0.0	-48.88	373.62	11.92	-36.96
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043087	0	59	0.0	-50.97	460.71	10.57	-40.40
CN1N=C2CCCCC2=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043088	0	49	0.0	-36.22	361.35	9.62	-26.60
CCOC(=O)C1=C(C)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C(C)N1	REAL300012043089	0	52	0.0	-49.82	412.98	10.51	-39.31
CC1=C(C)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CS1	REAL300012043090	0	42	0.0	-33.53	330.11	10.27	-23.26
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012043091	0	38	0.0	-41.61	321.10	8.62	-32.99
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012043092	0	49	0.0	-40.52	397.40	13.92	-26.60
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012043093	0	39	0.0	-33.91	333.44	10.53	-23.38
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(Br)SC=C1	REAL300012043094	0	36	0.0	-30.27	302.27	9.12	-21.15
CCOC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C(F)C=C1OC	REAL300012043095	0	50	0.0	-34.02	387.06	9.97	-24.05
COC1=NC=C(Br)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043096	0	42	0.0	-45.39	359.82	7.50	-37.89
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012043097	0	45	0.0	-47.62	359.39	12.28	-35.34
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CN=C1Br	REAL300012043098	0	38	0.0	-45.12	323.18	8.83	-36.29
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C(F)C=C1Br	REAL300012043099	0	43	0.0	-33.21	356.42	9.81	-23.40
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012043100	0	39	0.0	-44.65	343.92	11.17	-33.48
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012043101	0	43	0.0	-45.07	356.67	9.91	-35.16
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043102	0	49	0.0	-44.13	386.93	11.10	-33.03
CCOC1=CC(F)=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043103	0	46	0.0	-37.01	361.88	10.23	-26.78
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012043104	0	53	0.0	-49.38	400.50	10.96	-38.42
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012043105	0	43	0.0	-47.91	357.51	9.72	-38.19
CC(C)(C)OC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043106	0	52	0.0	-46.09	393.21	11.27	-34.82
CC1=C(Cl)C=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043107	0	42	0.0	-36.86	332.08	10.99	-25.87
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C(F)C=C1C	REAL300012043108	0	46	0.0	-31.52	356.09	9.89	-21.63
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1Br	REAL300012043109	0	45	0.0	-44.98	363.70	11.83	-33.15
CC1=CC=NC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Br	REAL300012043110	0	41	0.0	-30.66	339.18	9.31	-21.35
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043111	0	56	0.0	-50.96	434.85	10.36	-40.60
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC(F)=CC=C2F)=N1	REAL300012043112	0	49	0.0	-41.32	398.08	11.29	-30.03
CC(C)(C)C1=CSC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012043113	0	47	0.0	-43.82	378.21	9.85	-33.97
COCCC1=NC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012043114	0	45	0.0	-47.59	374.48	7.92	-39.67
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012043117	1	40	0.0	-39.67	327.49	7.31	-32.36
CN1N=C2CCSCC2=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043118	0	47	0.0	-36.37	362.25	9.37	-27.00
CCN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC=CC=C2)=N1	REAL300012043119	0	52	0.0	-39.04	399.29	12.05	-26.99
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012043120	0	47	0.0	-44.56	359.50	10.10	-34.46
COCC1=C(C)C=C(C)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1C	REAL300012043121	0	55	0.0	-34.49	396.78	10.90	-23.59
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012043122	0	41	0.0	-42.51	332.15	10.50	-32.01
CC1=C(Br)C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012043123	0	39	0.0	-45.18	344.18	10.59	-34.59
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012043124	0	49	0.0	-48.70	403.75	14.05	-34.65
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012043125	0	44	0.0	-48.36	348.70	10.39	-37.97
CCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C	REAL300012043126	0	52	0.0	-35.97	397.29	11.73	-24.24
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012043127	0	43	0.0	-39.26	340.34	8.36	-30.90
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1CN1C=CC=N1	REAL300012043128	0	53	0.0	-37.12	416.58	10.94	-26.18
CCOC1=CC=CC(F)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043129	0	46	0.0	-41.86	367.97	10.43	-31.43
CC1=CC=C(Br)C(F)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043130	0	42	0.0	-45.82	355.55	11.28	-34.54
CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=CC=C1[N+](=O)[O-]	REAL300012043131	0	44	0.0	-53.63	350.25	11.23	-42.40
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043132	0	47	0.0	-52.43	371.71	11.76	-40.67
COC1=CC=C(CN2C=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)N=N2)C=C1	REAL300012043133	0	52	0.0	-54.81	420.30	9.77	-45.04
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(F)=C1OC	REAL300012043134	0	47	0.0	-46.58	372.40	9.30	-37.28
COC(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(F)=C1	REAL300012043135	0	45	0.0	-52.35	373.04	10.81	-41.54
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012043136	0	49	0.0	-42.75	390.44	10.32	-32.43
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012043137	0	53	0.0	-49.05	423.90	13.41	-35.64
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012043138	0	46	0.0	-41.99	368.59	10.60	-31.39
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012043139	0	38	0.0	-31.13	319.35	8.75	-22.38
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043140	0	55	0.0	-37.52	414.68	12.87	-24.65
CC1=CC(C#N)=CC(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043141	0	46	0.0	-50.09	366.67	11.56	-38.53
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012043142	0	42	0.0	-36.86	336.58	8.80	-28.06
CC(C)(C)C1=COC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012043143	0	47	0.0	-38.16	364.63	7.41	-30.75
CCCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043144	0	48	0.0	-45.09	377.02	12.36	-32.73
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COC1=CC=C(C2=NC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CS2)C=C1	REAL300012043146	0	49	0.0	-32.50	401.43	10.16	-22.34
CC1=C2C=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)C=NC2=NN1	REAL300012043148	0	44	0.0	-58.16	355.87	8.64	-49.52
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043149	0	47	0.0	-54.50	389.63	6.74	-47.76
CN1N=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C2=CC=CC=C21	REAL300012043150	0	45	0.0	-32.87	357.02	9.96	-22.91
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012043151	0	42	0.0	-39.21	333.56	8.66	-30.55
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012043151	1	42	0.0	-32.68	334.16	8.67	-24.01
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043152	0	39	0.0	-48.26	346.09	9.42	-38.84
CCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012043153	0	42	0.0	-44.03	346.22	10.82	-33.21
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012043154	0	44	0.0	-31.02	345.38	10.37	-20.65
CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)N2C=CC=CC2=N1	REAL300012043155	0	45	0.0	-48.99	360.01	11.11	-37.88
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043156	1	59	0.0	-35.19	424.50	12.15	-23.04
CCC1=NC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012043157	0	41	0.0	-46.13	340.81	8.85	-37.28
COC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)SC=C1	REAL300012043158	0	40	0.0	-33.25	326.57	8.44	-24.81
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012043159	0	45	0.0	-38.56	362.16	8.23	-30.33
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC=C1Cl	REAL300012043160	0	36	0.0	-44.04	317.50	9.52	-34.52
CC1=NN2C(=NC(C)=C2C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012043161	0	44	0.0	-39.93	354.92	9.04	-30.89
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012043162	0	50	0.0	-46.40	408.96	10.60	-35.80
CCCC(C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012043163	0	51	0.0	-45.24	389.20	12.72	-32.52
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012043164	0	44	0.0	-31.60	351.47	11.22	-20.38
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012043165	0	39	0.0	-34.24	337.19	10.33	-23.91
CN(C)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C(F)(F)F)=C1	REAL300012043166	0	50	0.0	-39.81	378.08	11.09	-28.72
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043167	0	49	0.0	-41.24	385.67	12.56	-28.68
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043168	0	48	0.0	-47.39	403.84	11.75	-35.64
CC(C)C1CCC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012043169	0	54	0.0	-46.95	382.43	11.91	-35.04
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012043170	0	42	0.0	-49.01	372.55	11.47	-37.54
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012043171	0	42	0.0	-32.12	355.94	11.21	-20.91
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043172	0	50	0.0	-39.25	390.06	11.33	-27.92
COCC1=CC=CC=C1C=C(C)C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043173	0	53	0.0	-36.85	402.51	11.56	-25.29
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043174	0	49	0.0	-45.91	386.51	10.97	-34.94
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012043175	0	48	0.0	-40.88	382.21	11.92	-28.96
CN1N=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Cl	REAL300012043176	0	39	0.0	-36.69	325.95	8.20	-28.49
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012043177	0	41	0.0	-51.58	335.28	7.61	-43.97
COC1=CC=C(N2C=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)C=N2)C=C1	REAL300012043178	0	50	0.0	-44.03	394.77	10.54	-33.49
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043179	0	54	0.0	-46.56	432.61	13.50	-33.06
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012043180	0	41	0.0	-51.42	352.05	8.11	-43.31
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012043181	0	46	0.0	-37.41	356.82	12.20	-25.21
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NC=C1Br	REAL300012043182	0	38	0.0	-32.37	308.33	8.39	-23.98
CS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012043183	0	42	0.0	-41.41	359.42	6.71	-34.70
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012043184	0	45	0.0	-42.82	364.98	10.81	-32.01
NS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(F)=C1	REAL300012043185	0	44	0.0	-54.75	372.51	5.10	-49.65
CC(C)(C)N1N=NC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012043186	1	46	0.0	-37.72	361.01	7.87	-29.85
CC(C)N1C=CN=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043187	0	45	0.0	-44.99	353.48	9.95	-35.04
CC1=C(Br)C=NC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043188	0	41	0.0	-47.31	341.06	9.48	-37.83
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043189	0	42	0.0	-30.49	331.88	8.13	-22.36
CN1N=CC(C2CC2)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043190	0	46	0.0	-46.55	363.34	9.76	-36.79
CN1N=CC(C2CCC2)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043191	0	49	0.0	-35.02	376.39	10.16	-24.86
CC1=C2C=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)NC2=CC=C1	REAL300012043192	0	46	0.0	-37.19	359.49	10.63	-26.56
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012043193	0	45	0.0	-33.42	359.65	9.15	-24.27
CC1=CC=C2C=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)NC2=C1	REAL300012043194	0	46	0.0	-37.56	359.24	10.70	-26.86
CCOC1=CN=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043195	0	45	0.0	-48.67	358.92	8.54	-40.13
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012043196	0	38	0.0	-32.54	303.25	8.24	-24.30
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012043197	0	50	0.0	-36.35	384.53	8.64	-27.71
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012043198	0	42	0.0	-50.86	338.87	8.83	-42.03
CCC(F)(F)C(C)(C)C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043199	0	47	0.0	-33.82	342.56	10.27	-23.55
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012043200	0	43	0.0	-36.79	335.68	9.97	-26.82
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012043201	0	42	0.0	-46.68	340.26	7.56	-39.12
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012043202	0	41	0.0	-39.04	332.49	9.08	-29.96
CN(C)C1=CC=C(C#N)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043203	0	48	0.0	-49.17	384.48	10.53	-38.64
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012043204	0	49	0.0	-35.32	381.78	7.48	-27.84
COC1=CN=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1C	REAL300012043205	0	45	0.0	-36.55	342.77	8.13	-28.42
CC1=CC(C)=C(C=CC[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1	REAL300012043206	0	52	0.0	-48.60	402.84	13.25	-35.35
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012043207	0	59	0.0	-49.38	452.76	8.97	-40.41
CC(C)(C)OC(=O)NC(C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1)CC(F)F	REAL300012043208	0	55	0.0	-39.54	417.33	8.81	-30.73
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012043209	0	49	0.0	-51.56	387.63	7.72	-43.84
CCCN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)N=N1	REAL300012043210	0	44	0.0	-50.42	352.35	8.24	-42.18
CN(C)C1=CC=C(F)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043211	0	47	0.0	-43.79	370.30	10.18	-33.61
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012043212	0	44	0.0	-55.06	360.04	10.58	-44.48
CC1=CC(C)=C(C=CC[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C	REAL300012043213	0	52	0.0	-36.90	394.59	13.10	-23.80
NS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043214	0	44	0.0	-55.86	366.87	5.09	-50.77
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012043215	0	42	0.0	-35.24	336.38	7.39	-27.85
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012043216	0	48	0.0	-43.36	364.90	10.66	-32.70
CC1=NN(C)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Cl	REAL300012043217	0	42	0.0	-30.63	342.04	8.53	-22.10
CN1C=CC(C2=NC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CS2)=N1	REAL300012043218	0	45	0.0	-34.06	377.25	8.56	-25.50
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2CCCC2)=N1	REAL300012043219	0	52	0.0	-47.76	400.51	11.00	-36.76
CC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Br	REAL300012043220	0	42	0.0	-35.84	339.80	11.10	-24.74
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012043221	0	50	0.0	-50.65	408.98	13.07	-37.58
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012043222	0	47	0.0	-37.94	358.08	10.59	-27.35
CN(C)C(=O)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043223	0	49	0.0	-51.61	384.08	9.98	-41.63
CCC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(Cl)=NN1	REAL300012043224	0	42	0.0	-44.31	345.88	8.33	-35.98
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012043225	0	43	0.0	-39.18	346.13	8.68	-30.50
CCC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=NO1	REAL300012043226	0	44	0.0	-48.15	352.37	9.75	-38.40
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C2CCCCC2=N1	REAL300012043227	0	51	0.0	-47.15	385.24	11.31	-35.84
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012043228	0	54	0.0	-41.61	403.14	11.96	-29.65
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300012043229	0	43	0.0	-33.70	343.27	9.60	-24.10
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012043230	0	38	0.0	-31.57	332.76	8.15	-23.42
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CN=C1F	REAL300012043231	0	41	0.0	-43.31	325.15	8.71	-34.60
CC1=CC(F)=NC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043232	0	41	0.0	-50.31	329.37	8.90	-41.41
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012043233	0	42	0.0	-38.49	343.58	10.91	-27.58
COC(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C	REAL300012043234	0	48	0.0	-39.32	374.93	11.18	-28.14
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1	REAL300012043235	0	46	0.0	-36.02	348.12	9.87	-26.15
CC1=C(Cl)C=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Cl	REAL300012043236	0	42	0.0	-44.42	358.12	11.60	-32.82
N#CC1=CC=C(Br)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043237	0	40	0.0	-34.65	345.15	10.98	-23.67
CC1CC2=CC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CC=C2O1	REAL300012043238	0	47	0.0	-38.32	361.29	10.56	-27.76
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012043239	0	42	0.0	-53.97	344.46	7.62	-46.35
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012043240	0	44	0.0	-38.02	340.87	9.81	-28.21
CSCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043241	0	46	0.0	-47.48	378.75	12.03	-35.45
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012043242	0	49	0.0	-41.38	378.71	10.78	-30.60
CN1N=C2CCOCC2=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043243	0	47	0.0	-36.24	354.47	7.36	-28.88
CN1N=C2CCCC2=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043244	0	46	0.0	-36.30	347.90	9.33	-26.97
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012043245	0	46	0.0	-37.50	349.51	9.49	-28.01
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012043246	0	46	0.0	-35.13	353.80	9.78	-25.35
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043247	0	52	0.0	-43.39	405.04	11.60	-31.79
COC(=O)COC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043248	0	49	0.0	-44.75	389.81	10.93	-33.82
COC1=CC=C(C)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043249	0	46	0.0	-32.39	347.35	9.83	-22.56
CN1C=NC2=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=C21	REAL300012043250	0	45	0.0	-47.64	351.06	11.37	-36.27
CN(C)C(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043251	0	49	0.0	-56.10	384.86	10.03	-46.07
CC1=CC(F)=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043252	0	42	0.0	-39.20	331.93	10.67	-28.53
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1C	REAL300012043253	0	48	0.0	-33.24	353.38	11.67	-21.57
CCNC(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043254	0	49	0.0	-54.72	390.59	9.25	-45.47
CC(C)(C)C1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043255	0	51	0.0	-39.21	356.90	12.11	-27.10
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012043256	0	49	0.0	-40.49	358.48	10.26	-30.23
COC1=CC=C2SC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CC2=C1	REAL300012043257	0	46	0.0	-47.25	379.57	10.96	-36.29
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012043258	0	42	0.0	-49.69	340.72	9.75	-39.94
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043259	0	55	0.0	-53.43	423.66	11.80	-41.63
CCN1CCC2=CC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CC=C21	REAL300012043260	0	51	0.0	-35.89	383.43	10.56	-25.33
CCN(C)C(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043261	0	52	0.0	-54.56	404.92	10.98	-43.58
CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=NN1C(C)C	REAL300012043262	0	48	0.0	-47.75	375.57	9.91	-37.84
CSC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Cl	REAL300012043263	0	43	0.0	-50.04	367.85	11.60	-38.44
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1C1CC1	REAL300012043264	0	49	0.0	-45.37	379.23	12.75	-32.62
CCOC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=N1	REAL300012043265	0	45	0.0	-41.22	353.22	7.59	-33.63
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C1CC1	REAL300012043266	0	49	0.0	-44.96	379.06	12.76	-32.20
CC1=NN(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)C(C)=C2)C=C1	REAL300012043267	0	52	0.0	-43.00	398.77	12.33	-30.67
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012043268	0	45	0.0	-50.35	383.83	12.01	-38.34
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043269	0	49	0.0	-49.80	402.97	12.42	-37.38
CCC1=CC(Br)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012043270	0	42	0.0	-41.42	365.66	11.35	-30.07
CC1=NN(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2)C=C1Cl	REAL300012043271	0	49	0.0	-52.36	409.54	12.42	-39.94
COC(=O)C1=CC2=C(C=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)O2)N1	REAL300012043272	0	46	0.0	-37.17	376.25	8.88	-28.29
COCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300012043273	0	47	0.0	-35.86	376.89	8.84	-27.02
CC(C)(C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1)C1=CC=C(Br)C=C1	REAL300012043274	0	48	0.0	-35.80	372.14	12.24	-23.56
CC1=NN(C(C)C)C(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043275	0	51	0.0	-46.95	396.13	10.44	-36.51
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012043276	0	42	0.0	-46.57	343.63	8.84	-37.73
CCN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=N1	REAL300012043277	0	45	0.0	-39.91	351.34	9.33	-30.58
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012043278	0	39	0.0	-36.41	342.14	11.05	-25.36
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1	REAL300012043279	0	55	0.0	-31.67	411.90	14.30	-17.37
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2CC2)=N1	REAL300012043280	0	46	0.0	-47.69	367.39	10.11	-37.58
COC1=CC=CC(C2=CSC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=N2)=C1	REAL300012043281	0	49	0.0	-40.63	399.95	10.11	-30.52
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043282	0	59	0.0	-50.89	460.53	10.59	-40.30
COC(=O)C1=C2COCCN2C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043283	0	51	0.0	-53.32	406.08	9.49	-43.83
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012043284	0	56	0.0	-56.33	427.41	12.04	-44.29
CN1N=C(C2CC2)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043285	0	46	0.0	-38.95	355.18	9.52	-29.43
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043286	0	49	0.0	-40.78	376.88	12.92	-27.86
CC(C)C1=NOC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043287	0	44	0.0	-40.37	345.88	9.37	-31.00
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012043288	0	43	0.0	-39.09	355.53	9.03	-30.06
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012043289	0	49	0.0	-37.14	379.93	6.54	-30.60
COC1=NC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1F	REAL300012043290	0	42	0.0	-49.19	345.30	6.89	-42.30
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012043291	0	39	0.0	-29.74	330.18	10.54	-19.20
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012043292	0	39	0.0	-33.88	332.85	10.51	-23.37
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012043293	0	39	0.0	-53.74	330.02	10.08	-43.66
CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C(C(C)(C)C)O1	REAL300012043294	0	51	0.0	-44.30	395.65	11.66	-32.64
CC1=C(C)SC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012043295	0	41	0.0	-43.72	338.11	8.56	-35.16
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012043296	0	48	0.0	-52.45	390.78	10.47	-41.98
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012043297	0	59	0.0	-43.54	431.71	11.12	-32.42
CC1=CC(Br)=CN=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043298	0	41	0.0	-44.68	346.01	9.42	-35.26
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012043299	0	45	0.0	-53.02	386.51	8.05	-44.97
CC1OC2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2C1C	REAL300012043300	0	50	0.0	-37.16	377.83	11.06	-26.10
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC(F)F	REAL300012043301	0	46	0.0	-40.31	363.44	10.26	-30.05
CC1=NC(Cl)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Br	REAL300012043302	0	41	0.0	-44.37	359.31	9.89	-34.48
CC(C)CC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043303	0	51	0.0	-31.73	370.48	12.30	-19.43
CN1N=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1S(C)(=O)=O	REAL300012043304	0	45	0.0	-42.06	358.60	5.44	-36.62
CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)NN=C1C(F)(F)F	REAL300012043305	0	42	0.0	-39.71	344.55	8.00	-31.71
CC(C)CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)N=N1	REAL300012043306	0	47	0.0	-50.28	372.14	8.98	-41.30
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012043307	0	42	0.0	-37.74	342.18	9.27	-28.47
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012043308	0	39	0.0	-41.59	326.63	7.37	-34.22
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012043309	0	44	0.0	-40.48	340.24	9.80	-30.68
CN1C=C(Cl)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012043310	0	39	0.0	-43.61	332.07	8.34	-35.27
CS(=O)(=O)C1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=CS1	REAL300012043311	0	42	0.0	-46.13	340.84	7.27	-38.86
CSC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043312	0	43	0.0	-46.31	352.85	11.15	-35.16
CC(C)C1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)N(C)N=C1	REAL300012043313	0	48	0.0	-32.79	364.40	9.40	-23.39
CC1=C(Br)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C(C)S1	REAL300012043314	0	42	0.0	-40.98	361.87	11.08	-29.90
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC=CC(F)=C2)=N1	REAL300012043315	0	49	0.0	-42.79	384.40	11.29	-31.50
CCCN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=N1	REAL300012043316	0	48	0.0	-39.56	372.13	10.04	-29.52
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012043317	0	41	0.0	-49.92	335.26	8.86	-41.06
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012043318	0	46	0.0	-44.21	377.83	12.38	-31.83
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012043319	0	47	0.0	-36.78	364.77	10.93	-25.85
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012043320	0	43	0.0	-47.71	364.26	9.93	-37.78
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012043321	0	45	0.0	-49.33	383.83	12.01	-37.32
CC1=NC=CN1C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1	REAL300012043322	0	52	0.0	-52.65	407.88	13.15	-39.50
CC1=C(C)N(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2)C=N1	REAL300012043323	0	52	0.0	-54.41	410.37	13.75	-40.66
CNC(=O)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043324	0	46	0.0	-52.28	369.10	8.41	-43.87
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012043325	0	53	0.0	-45.47	407.58	14.16	-31.31
CCNC(=O)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043327	0	49	0.0	-51.90	390.59	9.25	-42.65
CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)OC2=CC=C(F)C=C12	REAL300012043328	0	45	0.0	-34.11	361.49	11.28	-22.83
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012043329	0	46	0.0	-36.79	352.62	8.97	-27.82
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043330	0	49	0.0	-50.60	392.71	11.25	-39.35
CCCN1C=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012043331	0	45	0.0	-31.83	353.55	9.42	-22.41
CC(C)N1C=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012043332	0	45	0.0	-31.54	350.71	9.16	-22.38
CC(C)(C)C1=CN=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043333	0	50	0.0	-47.87	384.03	10.63	-37.24
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012043334	0	42	0.0	-50.21	354.91	9.20	-41.01
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012043335	0	49	0.0	-42.86	385.12	12.18	-30.68
CN1C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=NC2=C1CCCC2	REAL300012043336	0	49	0.0	-46.36	376.21	10.81	-35.55
COC1=NC(Cl)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043337	0	42	0.0	-48.26	355.36	7.31	-40.95
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C(F)(F)F)=N1	REAL300012043338	0	42	0.0	-47.14	339.47	8.70	-38.44
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012043339	0	42	0.0	-44.81	340.23	10.83	-33.98
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012043340	0	47	0.0	-37.66	352.28	9.99	-27.67
CCOC1=CC=C(Cl)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043341	0	46	0.0	-43.81	379.41	10.93	-32.88
COC1=NN(C)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043342	0	43	0.0	-44.31	343.14	5.81	-38.50
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012043343	0	43	0.0	-45.26	352.05	7.45	-37.81
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012043344	0	46	0.0	-42.82	353.76	9.71	-33.11
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012043345	0	46	0.0	-44.78	356.91	10.96	-33.82
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012043346	0	41	0.0	-40.87	338.74	10.68	-30.19
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012043347	0	52	0.0	-34.93	391.17	11.09	-23.84
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012043348	0	46	0.0	-38.92	381.15	11.54	-27.38
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012043349	0	39	0.0	-43.58	344.55	10.80	-32.78
CN(CCO)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012043350	0	50	0.0	-37.38	384.03	7.53	-29.85
COC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=CC=C1C(C)(C)C	REAL300012043351	0	55	0.0	-34.62	397.32	11.71	-22.91
CN1C=C(Br)N=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043352	0	39	0.0	-46.19	323.30	8.69	-37.50
COC1=CC(C)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012043353	0	45	0.0	-47.92	355.14	7.44	-40.48
COC1=CC(C)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1O	REAL300012043354	0	47	0.0	-47.77	367.65	7.85	-39.92
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012043355	0	45	0.0	-50.70	369.56	9.25	-41.45
CN1C(=O)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC2=CC=CC=C21	REAL300012043356	0	48	0.0	-29.73	370.64	10.80	-18.93
COC1=NC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1C	REAL300012043357	0	45	0.0	-31.34	354.82	7.46	-23.88
CCCN1C=NC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043358	0	45	0.0	-34.07	346.72	10.90	-23.17
CC1=CC(C)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1Br	REAL300012043359	0	48	0.0	-44.55	382.94	12.23	-32.32
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012043360	0	46	0.0	-42.63	364.13	9.99	-32.64
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012043361	0	52	0.0	-45.04	403.70	13.66	-31.38
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043362	0	49	0.0	-51.20	408.83	10.91	-40.29
CCC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=NN1CC	REAL300012043363	0	48	0.0	-32.98	367.11	9.99	-22.99
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012043364	0	39	0.0	-44.11	339.43	10.68	-33.43
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043365	0	56	0.0	-51.74	434.56	10.37	-41.37
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012043366	0	43	0.0	-40.59	345.85	9.33	-31.26
COC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=CS1	REAL300012043367	0	40	0.0	-35.40	327.17	8.41	-26.99
CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C(F)(F)F)=CO1	REAL300012043368	0	42	0.0	-28.65	332.83	9.33	-19.32
CC(F)(F)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043369	0	45	0.0	-47.44	365.84	11.66	-35.78
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012043370	0	45	0.0	-41.94	367.44	10.74	-31.20
CN1C=C(C2=NNC=C2C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012043371	0	46	0.0	-50.66	369.53	7.95	-42.71
CCCN1N=C(C)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Cl	REAL300012043372	0	48	0.0	-34.64	382.35	10.13	-24.51
CC(C)(C#N)C1=NC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012043373	0	45	0.0	-49.56	379.30	9.47	-40.09
COC1=CC=C(Br)C(F)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043374	0	43	0.0	-43.97	366.69	10.12	-33.85
N#CC1=CC(F)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(Br)=C1	REAL300012043375	0	40	0.0	-35.70	342.26	10.53	-25.17
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012043376	0	39	0.0	-48.93	330.97	10.28	-38.65
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012043377	0	46	0.0	-47.48	378.20	12.55	-34.93
CC(C)(C)C1=NNC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043378	0	48	0.0	-38.55	367.76	8.84	-29.71
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012043379	0	45	0.0	-46.20	370.27	12.77	-33.43
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012043380	0	56	0.0	-42.89	421.99	12.95	-29.94
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012043381	0	50	0.0	-49.70	418.50	13.51	-36.19
C=CCC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043382	0	46	0.0	-43.70	359.67	11.99	-31.71
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012043383	0	59	0.0	-35.08	435.67	13.51	-21.57
COC1=CC=CC(OC2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2)=C1	REAL300012043384	0	54	0.0	-53.14	431.25	12.30	-40.84
CCN1CCCC2=CC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=CC=C21	REAL300012043385	0	54	0.0	-45.57	401.56	11.27	-34.30
COCC1=CN=C(OC)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043386	0	49	0.0	-32.20	380.34	6.65	-25.55
CN1N=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Br	REAL300012043387	0	39	0.0	-35.65	330.18	8.29	-27.36
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043388	0	54	0.0	-49.72	431.77	12.88	-36.84
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012043389	0	42	0.0	-51.58	339.12	8.13	-43.45
COC1=C(Br)C=CC(F)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043390	0	43	0.0	-42.13	368.16	10.20	-31.93
COCC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043391	0	46	0.0	-44.56	359.07	9.98	-34.58
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012043392	0	52	0.0	-47.67	421.36	14.82	-32.85
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012043393	0	43	0.0	-49.09	369.03	11.59	-37.50
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012043394	0	52	0.0	-38.50	397.61	10.63	-27.87
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012043395	0	47	0.0	-47.75	366.35	10.22	-37.53
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012043396	0	43	0.0	-37.53	341.41	5.30	-32.23
CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)SC2=CC(F)=CC=C12	REAL300012043397	0	45	0.0	-46.24	373.53	12.25	-33.99
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012043398	0	45	0.0	-43.44	361.29	8.22	-35.22
COC1=CC=C(F)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1OC	REAL300012043399	0	47	0.0	-42.23	376.94	9.40	-32.83
CN1C=CC(C2=NNC=C2C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012043400	0	46	0.0	-37.24	356.08	8.00	-29.24
CC1=CC=C(F)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Br	REAL300012043401	0	42	0.0	-40.79	354.21	11.21	-29.58
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012043402	0	62	0.0	-36.05	457.50	14.27	-21.78
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012043403	0	53	0.0	-38.77	403.98	12.31	-26.46
CC(F)(F)C1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043404	0	45	0.0	-37.54	340.43	11.19	-26.35
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OCCO	REAL300012043405	0	51	0.0	-41.27	396.36	7.00	-34.27
CCN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2CC2)=N1	REAL300012043406	0	49	0.0	-47.37	388.92	10.98	-36.39
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCCO	REAL300012043407	0	51	0.0	-41.59	396.36	7.00	-34.59
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC=NN2C)=N1	REAL300012043408	0	49	0.0	-47.03	393.29	8.95	-38.08
CC(C)(C)C1=NOC=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043409	0	47	0.0	-47.25	357.58	9.96	-37.29
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012043410	0	44	0.0	-39.96	345.29	10.42	-29.54
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OCC1CCCO1	REAL300012043411	0	58	0.0	-53.45	450.49	10.75	-42.70
CC1=CC2=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC3=CC=CC=C3)=C2O1	REAL300012043412	0	45	0.0	-40.59	354.77	11.14	-29.45
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012043413	0	42	0.0	-49.92	346.38	11.16	-38.76
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012043414	0	46	0.0	-34.50	375.34	10.57	-23.93
COC1=CSC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1OC	REAL300012043415	0	44	0.0	-35.15	355.58	8.19	-26.96
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012043416	0	45	0.0	-40.20	352.36	10.17	-30.03
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012043417	0	42	0.0	-31.25	344.88	9.04	-22.21
CS(=O)(=O)C1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)SC=C1	REAL300012043418	0	42	0.0	-36.63	341.22	6.48	-30.15
CS(=O)(=O)C1=COC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043419	0	42	0.0	-44.91	350.89	5.64	-39.27
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012043420	0	42	0.0	-43.45	349.85	11.02	-32.43
CC(C)OC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1F	REAL300012043421	0	49	0.0	-51.46	388.15	11.06	-40.40
CCN1C=C(Cl)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012043422	0	42	0.0	-43.08	353.60	9.19	-33.89
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012043423	0	39	0.0	-33.92	328.60	10.40	-23.52
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012043424	0	42	0.0	-47.73	346.79	11.07	-36.66
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012043425	0	45	0.0	-45.25	363.27	12.39	-32.86
CS(=O)(=O)C1=CSC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043426	0	42	0.0	-52.12	364.86	6.74	-45.38
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012043427	0	36	0.0	-34.39	312.15	9.54	-24.85
CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=NN1C1CCC1	REAL300012043428	0	49	0.0	-33.62	375.09	10.55	-23.07
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012043429	0	46	0.0	-38.48	381.20	11.73	-26.75
CC1=NN(C2CCCC2)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043430	0	52	0.0	-35.19	397.14	11.05	-24.14
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012043431	0	42	0.0	-33.49	334.48	8.48	-25.01
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043432	0	49	0.0	-49.63	392.10	10.78	-38.85
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012043433	0	42	0.0	-48.66	354.44	11.56	-37.10
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012043434	0	38	0.0	-32.87	317.03	8.39	-24.48
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012043435	0	46	0.0	-39.21	370.88	11.28	-27.93
CN(C)C1=CN=CC(F)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043436	0	46	0.0	-34.54	349.08	8.94	-25.60
COC1=NC(C)=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1Cl	REAL300012043437	0	48	0.0	-36.02	370.53	7.97	-28.05
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043438	0	48	0.0	-47.38	388.72	10.49	-36.89
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012043439	0	46	0.0	-31.54	353.75	9.66	-21.88
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012043440	0	42	0.0	-48.95	348.88	9.03	-39.92
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012043441	0	43	0.0	-48.42	358.55	9.57	-38.85
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043442	0	55	0.0	-38.36	410.95	11.68	-26.68
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012043443	0	50	0.0	-36.53	381.93	8.68	-27.85
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043444	0	53	0.0	-38.63	401.70	9.27	-29.36
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012043445	0	44	0.0	-43.74	373.79	11.25	-32.49
O=C([O-])C[C@H](CC1=CC=CC=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012043446	0	49	0.0	-44.07	378.42	10.48	-33.59
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CC1=NSC(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043503	0	41	0.0	-34.42	321.45	8.72	-25.70
CC(C)(C)C1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=NO1	REAL300012043504	0	47	0.0	-44.47	351.42	10.03	-34.44
CC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1C(F)(F)F	REAL300012043505	0	45	0.0	-41.39	351.84	11.52	-29.87
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CCC(C)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043507	0	51	0.0	-44.95	391.30	12.73	-32.22
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CC(F)(F)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012043512	0	44	0.0	-32.97	355.59	9.99	-22.98
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CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043516	0	46	0.0	-37.55	365.79	11.92	-25.63
COC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=CC(Br)=C1F	REAL300012043517	0	43	0.0	-47.99	369.01	10.19	-37.80
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CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)C=CC2=CC=CC=C21	REAL300012043520	0	48	0.0	-34.96	359.87	12.65	-22.31
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043521	0	57	0.0	-37.89	432.49	11.72	-26.17
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COC1=CC=C(OC)C(OC)=C1C[NH2+][C@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043526	0	51	0.0	-41.61	399.81	8.74	-32.87
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COC(=O)C1=CN(C)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043532	0	46	0.0	-52.84	374.55	10.24	-42.60
COC1=CC=C(Br)C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)=C1O	REAL300012043533	0	44	0.0	-41.99	369.63	7.80	-34.19
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CC(C)(C)C1=NC=C(C[NH2+][C@H](CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300012043536	0	47	0.0	-34.98	366.85	7.58	-27.40
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CC(C)(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043538	0	51	0.0	-44.72	388.65	12.44	-32.28
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COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC(F)F	REAL300012043543	0	47	0.0	-50.94	380.95	9.59	-41.35
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC	REAL300012043544	0	50	0.0	-49.90	393.05	10.23	-39.67
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CC1=CC=C(C2=NNC=C2C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300012043577	0	46	0.0	-44.92	373.41	9.23	-35.69
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CC(C)N1N=CC2=CC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=C(Cl)N=C21	REAL300012043588	0	50	0.0	-49.91	411.31	11.22	-38.69
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CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043596	0	46	0.0	-46.25	364.20	10.34	-35.91
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1F	REAL300012043597	0	42	0.0	-34.82	330.38	10.63	-24.19
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COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(Cl)=C1OC	REAL300012043603	0	47	0.0	-46.39	387.07	9.90	-36.49
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COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OCC(F)(F)F	REAL300012043610	0	50	0.0	-53.49	412.62	10.69	-42.80
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CC(C)C1=NN(C)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043612	0	48	0.0	-47.44	377.66	9.76	-37.68
CC(C)C1=NN(C)C(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043613	0	48	0.0	-30.71	382.90	9.85	-20.86
COCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043614	0	50	0.0	-35.37	388.64	9.41	-25.96
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Cl	REAL300012043615	0	43	0.0	-41.87	349.18	9.77	-32.10
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012043616	0	44	0.0	-48.94	372.71	9.03	-39.91
CC(C)N1C2=CC=CC=C2N=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043617	0	51	0.0	-35.57	391.06	11.63	-23.94
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012043618	0	55	0.0	-47.93	421.36	9.87	-38.06
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CCCN1C2=CC=CC=C2N=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043622	0	51	0.0	-43.69	393.11	11.91	-31.78
CCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043623	0	49	0.0	-33.95	376.52	10.94	-23.01
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CC(C)OC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043626	0	49	0.0	-46.90	382.14	10.96	-35.94
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012043627	0	52	0.0	-45.54	421.22	12.13	-33.41
CC1=CC=C(C2=NC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CS2)C=C1	REAL300012043628	0	48	0.0	-40.77	390.91	11.44	-29.33
CC(C)C1=NC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CS1	REAL300012043629	0	44	0.0	-44.39	360.22	9.15	-35.24
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CC1=CC=C(OCC2=NC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CS2)C=C1	REAL300012043632	0	52	0.0	-43.62	422.86	10.96	-32.66
CC(C)(C)C1=NC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CS1	REAL300012043633	0	47	0.0	-38.58	371.52	9.52	-29.06
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CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043636	0	53	0.0	-49.61	418.97	10.97	-38.64
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CC1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)S2)C=C1	REAL300012043638	0	49	0.0	-46.35	401.70	13.57	-32.78
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CCOC1=C(OC)C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012043644	0	54	0.0	-51.93	426.21	10.17	-41.76
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COC1=CC=C(OC(F)F)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043647	0	47	0.0	-36.20	368.40	9.02	-27.18
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012043648	0	43	0.0	-42.90	364.81	10.16	-32.74
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC1=CC=CN=C1	REAL300012043649	0	52	0.0	-38.01	408.34	11.77	-26.24
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012043650	0	57	0.0	-49.06	454.24	11.38	-37.68
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)S2)C=C1	REAL300012043651	0	48	0.0	-47.28	398.88	11.81	-35.47
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012043652	0	44	0.0	-42.87	369.43	11.14	-31.73
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012043653	0	44	0.0	-31.67	347.15	10.91	-20.76
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012043654	0	44	0.0	-43.54	359.16	10.70	-32.84
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012043655	0	44	0.0	-31.15	356.55	11.42	-19.73
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012043656	0	46	0.0	-42.15	380.02	12.04	-30.11
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300012043657	0	49	0.0	-40.31	392.42	12.62	-27.69
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)O2)C=C1	REAL300012043658	0	52	0.0	-46.76	415.58	13.45	-33.31
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(OC(F)F)=C1	REAL300012043659	0	47	0.0	-35.35	368.84	9.05	-26.30
COC1=CC=C2OC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CC2=C1	REAL300012043660	0	46	0.0	-41.16	362.51	9.80	-31.36
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012043661	0	43	0.0	-50.93	360.64	11.94	-38.99
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C2=CC=CC=C2O1	REAL300012043662	0	45	0.0	-45.67	359.87	11.23	-34.44
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012043663	0	42	0.0	-46.96	340.37	10.49	-36.47
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CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Br	REAL300012043665	0	42	0.0	-34.10	343.16	11.10	-23.00
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012043666	0	43	0.0	-53.39	355.83	11.52	-41.87
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1Br	REAL300012043667	0	42	0.0	-37.03	343.16	11.10	-25.93
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O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012043670	0	44	0.0	-43.94	364.96	10.44	-33.50
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012043671	0	43	0.0	-41.97	343.62	10.05	-31.92
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012043672	0	43	0.0	-40.23	344.22	10.02	-30.21
CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012043673	0	45	0.0	-40.93	352.87	7.54	-33.39
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC2=CC=CN=C12	REAL300012043674	0	47	0.0	-38.69	364.74	11.11	-27.58
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1Cl	REAL300012043675	0	42	0.0	-37.06	339.13	11.01	-26.05
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012043676	0	41	0.0	-39.22	335.56	9.41	-29.81
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)O2)C=C1	REAL300012043677	0	58	0.0	-39.93	441.63	14.19	-25.74
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043678	0	59	0.0	-29.96	432.55	13.13	-16.83
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043679	0	59	0.0	-32.93	450.89	13.10	-19.83
CCCC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043680	0	48	0.0	-44.74	376.84	12.32	-32.42
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043681	0	57	0.0	-36.99	438.20	14.74	-22.25
CCN(CC)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1F	REAL300012043682	0	53	0.0	-49.61	413.30	11.25	-38.36
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C(SC)C=C1OC	REAL300012043683	0	51	0.0	-44.47	406.81	10.25	-34.22
COC1=CC=C2N=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)SC2=C1	REAL300012043684	0	45	0.0	-35.66	367.78	8.82	-26.84
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043685	0	45	0.0	-32.02	369.65	10.89	-21.13
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C#N	REAL300012043686	0	44	0.0	-57.06	362.16	9.82	-47.24
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012043687	0	43	0.0	-39.67	353.46	11.18	-28.49
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043688	0	45	0.0	-33.20	359.44	11.64	-21.56
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012043689	0	43	0.0	-42.33	349.13	9.56	-32.77
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)N=C1	REAL300012043690	0	45	0.0	-40.17	350.25	8.31	-31.86
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043691	0	45	0.0	-48.14	366.36	11.73	-36.41
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC(Cl)=C1OC	REAL300012043692	0	47	0.0	-42.36	382.38	9.76	-32.60
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCC(C)C	REAL300012043693	0	56	0.0	-49.29	434.65	11.71	-37.58
CCCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC	REAL300012043694	0	53	0.0	-40.03	405.75	10.83	-29.20
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)S1	REAL300012043695	0	36	0.0	-46.79	324.35	9.95	-36.84
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC(Cl)=C1OC	REAL300012043696	0	50	0.0	-42.18	404.23	10.68	-31.50
C=CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043697	0	47	0.0	-46.43	377.10	10.93	-35.50
COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1OC(C)C	REAL300012043698	0	53	0.0	-41.93	409.46	11.13	-30.80
CCOC1=C(Cl)C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012043699	0	50	0.0	-42.30	404.23	10.72	-31.58
CCCOC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=CC=C1OCC	REAL300012043700	0	56	0.0	-39.63	434.47	12.28	-27.35
CCCCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC	REAL300012043701	0	56	0.0	-39.86	427.24	11.62	-28.24
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC(F)F	REAL300012043702	0	47	0.0	-43.62	372.15	9.40	-34.22
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC(F)F	REAL300012043703	0	50	0.0	-50.69	402.81	10.51	-40.18
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC(C)=C1OC(F)F	REAL300012043704	0	49	0.0	-48.82	389.77	11.10	-37.72
CCOC1=CC2=C(C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1)OC(C)C2	REAL300012043705	0	54	0.0	-34.98	415.20	10.88	-24.10
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC2=C1OCCO2	REAL300012043706	0	49	0.0	-42.58	377.35	8.95	-33.63
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012043707	0	48	0.0	-52.52	406.93	11.54	-40.98
CCCCN1N=C(C)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Cl	REAL300012043708	0	51	0.0	-43.33	416.52	11.21	-32.12
CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1OC(F)F	REAL300012043709	0	50	0.0	-40.20	397.74	10.85	-29.35
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012043710	0	57	0.0	-44.44	443.94	12.22	-32.22
CC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C	REAL300012043711	0	48	0.0	-42.82	365.62	11.93	-30.89
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012043712	0	46	0.0	-46.34	380.30	12.89	-33.45
CCCOC1=C(Cl)C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012043713	0	53	0.0	-42.14	425.73	11.52	-30.62
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012043714	0	46	0.0	-45.92	380.22	12.05	-33.87
CC(C)(C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012043715	0	48	0.0	-34.02	351.46	11.62	-22.40
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2CCCCC2)=N1	REAL300012043716	0	55	0.0	-47.64	419.64	11.65	-35.99
CC(CCC1=CC=CC=C1)C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043717	0	51	0.0	-37.04	385.34	12.88	-24.16
CCC1CCCC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012043718	0	51	0.0	-33.88	363.66	11.50	-22.38
CC1(C)CCC2=C(C1)SC(C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1)=N2	REAL300012043719	0	51	0.0	-30.93	390.36	10.67	-20.26
CCC1=CC=CC(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043720	0	45	0.0	-26.71	341.79	11.39	-15.32
CC1=C(C)C=C2OC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CC2=C1	REAL300012043721	0	48	0.0	-47.41	378.64	11.84	-35.57
CCCC1CCC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012043722	0	54	0.0	-46.48	393.86	12.46	-34.02
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012043723	0	46	0.0	-37.81	365.40	10.09	-27.72
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012043724	0	46	0.0	-53.54	368.41	12.50	-41.04
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012043725	0	46	0.0	-49.29	381.11	12.12	-37.17
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012043726	0	45	0.0	-39.34	364.12	9.62	-29.72
CCCCC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C2=CC=CC=C2O1	REAL300012043727	0	54	0.0	-30.59	409.28	13.39	-17.20
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012043728	0	52	0.0	-44.26	409.74	14.58	-29.68
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043729	0	52	0.0	-49.77	414.20	12.26	-37.51
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012043730	0	48	0.0	-40.72	382.53	10.40	-30.32
COC1=CC=C(C)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043731	0	46	0.0	-41.69	362.06	10.14	-31.55
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1F	REAL300012043732	0	43	0.0	-43.88	339.38	9.29	-34.59
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012043733	0	48	0.0	-38.03	365.28	11.30	-26.73
CC(C)C1CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)CCO1	REAL300012043734	0	52	0.0	-49.47	382.89	10.24	-39.23
CC1(C)CCC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012043735	0	51	0.0	-34.10	358.57	11.14	-22.96
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012043736	0	46	0.0	-48.04	380.81	10.68	-37.36
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012043737	0	45	0.0	-49.01	382.84	10.63	-38.38
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012043738	0	45	0.0	-47.65	381.63	10.41	-37.24
CCSC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043739	0	46	0.0	-46.18	374.52	11.97	-34.21
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012043740	1	40	0.0	-41.07	335.24	7.92	-33.15
COC1(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)CCCCC1	REAL300012043741	0	49	0.0	-31.72	351.39	9.32	-22.40
CCN1N=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C2=CC=CC=C21	REAL300012043742	0	48	0.0	-44.12	384.20	10.90	-33.22
COCCC1(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)CCCCC1	REAL300012043743	0	55	0.0	-45.19	391.22	10.32	-34.87
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012043744	0	36	0.0	-48.25	340.58	10.42	-37.83
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043745	0	49	0.0	-36.39	376.50	10.94	-25.45
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043746	0	52	0.0	-44.48	431.32	12.60	-31.88
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012043747	0	42	0.0	-40.89	333.04	10.51	-30.38
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COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC(C)C	REAL300012043749	0	53	0.0	-49.67	410.98	10.85	-38.82
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCC	REAL300012043750	0	56	0.0	-49.54	436.40	11.95	-37.59
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012043751	0	44	0.0	-48.83	348.05	11.17	-37.66
CC(C)OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043752	0	49	0.0	-37.40	372.88	10.79	-26.61
CCCCCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043753	0	61	0.0	-36.26	462.50	14.07	-22.19
CC(C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012043754	0	60	0.0	-35.91	436.50	14.29	-21.62
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1F	REAL300012043755	0	42	0.0	-38.01	330.38	10.62	-27.39
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012043756	0	43	0.0	-45.83	344.20	10.12	-35.71
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O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012043759	0	39	0.0	-42.16	335.11	10.73	-31.43
CC(C)CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043760	0	51	0.0	-45.13	393.99	12.80	-32.33
CC1=CC=C(C2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=C2)C=C1	REAL300012043761	0	52	0.0	-38.29	399.26	14.00	-24.29
COC1=CC=C(Br)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043762	0	43	0.0	-42.21	357.43	9.99	-32.22
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012043763	0	45	0.0	-41.43	359.18	10.65	-30.78
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012043764	0	39	0.0	-37.10	337.13	10.93	-26.17
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012043765	0	39	0.0	-38.09	326.80	10.50	-27.59
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CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043767	0	52	0.0	-47.14	408.90	14.19	-32.95
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012043768	0	43	0.0	-49.32	352.10	9.69	-39.63
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCC	REAL300012043769	0	53	0.0	-49.80	414.91	11.15	-38.65
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012043770	0	39	0.0	-30.41	323.56	10.44	-19.97
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012043771	0	42	0.0	-44.28	355.56	11.33	-32.95
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012043772	0	39	0.0	-32.19	332.31	10.67	-21.52
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012043773	0	43	0.0	-48.82	358.87	9.91	-38.91
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012043774	0	39	0.0	-44.24	334.76	10.66	-33.58
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043775	0	53	0.0	-48.00	420.69	13.18	-34.82
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012043776	0	39	0.0	-38.65	316.49	10.05	-28.60
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012043777	0	39	0.0	-30.52	325.04	10.49	-20.03
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C2=CC=CC=C12	REAL300012043778	0	49	0.0	-45.90	381.75	11.61	-34.29
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012043779	0	46	0.0	-33.24	363.90	9.95	-23.29
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012043779	1	46	0.0	-40.49	350.10	9.81	-30.68
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012043780	0	39	0.0	-30.98	315.13	10.04	-20.94
CN1C2=CC=CC=C2N=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043781	0	45	0.0	-45.64	349.80	10.25	-35.39
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012043782	0	42	0.0	-40.68	330.84	6.62	-34.06
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(Br)=C1O	REAL300012043783	0	44	0.0	-35.61	363.95	7.73	-27.88
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012043784	0	44	0.0	-37.76	339.57	9.75	-28.01
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(Br)=C1	REAL300012043785	0	36	0.0	-37.87	316.63	9.65	-28.22
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012043786	0	49	0.0	-47.00	386.67	13.52	-33.48
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012043787	0	52	0.0	-47.08	417.28	11.67	-35.41
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012043788	0	50	0.0	-48.66	386.77	10.02	-38.64
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012043789	0	43	0.0	-43.90	343.63	10.13	-33.77
CC1=CC(F)=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043790	0	42	0.0	-46.93	334.02	10.81	-36.12
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012043791	0	39	0.0	-51.80	339.85	10.78	-41.02
CC1=NC(C)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012043792	0	41	0.0	-45.40	338.22	8.59	-36.81
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012043793	0	48	0.0	-48.03	384.56	11.99	-36.04
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012043794	0	48	0.0	-37.24	372.90	11.57	-25.67
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012043795	0	48	0.0	-40.52	373.06	11.57	-28.95
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043796	0	54	0.0	-37.50	395.44	10.41	-27.09
CN1CCN(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2)CC1	REAL300012043797	1	56	0.0	-36.19	412.18	8.61	-27.58
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012043798	0	48	0.0	-51.17	394.03	8.59	-42.58
CNC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043799	0	46	0.0	-41.14	360.10	8.20	-32.94
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012043800	0	46	0.0	-38.73	370.91	11.27	-27.46
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043801	0	52	0.0	-49.29	424.52	12.71	-36.58
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012043802	0	46	0.0	-38.34	381.22	11.73	-26.61
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043803	0	52	0.0	-52.33	423.79	12.47	-39.86
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012043804	0	46	0.0	-38.21	374.57	10.61	-27.60
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012043805	0	45	0.0	-47.34	358.95	12.37	-34.97
COC1=C2OC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CC2=CC=C1	REAL300012043806	0	46	0.0	-50.13	370.23	9.93	-40.20
CC(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012043807	0	50	0.0	-50.25	387.59	12.37	-37.88
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012043808	0	42	0.0	-51.32	359.81	9.39	-41.93
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043809	0	55	0.0	-48.16	431.40	12.59	-35.57
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OCC(C)C	REAL300012043810	0	59	0.0	-49.35	456.51	12.63	-36.72
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012043811	0	39	0.0	-44.20	339.32	10.77	-33.43
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012043812	0	39	0.0	-30.45	328.12	10.54	-19.91
COC1=CC(OC)=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043813	0	47	0.0	-37.28	361.96	8.52	-28.76
COC1=CC2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2C=C1	REAL300012043814	0	49	0.0	-40.45	378.93	11.46	-28.99
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Br)=CS1	REAL300012043816	0	36	0.0	-34.83	316.45	9.70	-25.13
CCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCC	REAL300012043817	0	59	0.0	-38.33	449.12	12.55	-25.78
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043818	0	52	0.0	-47.75	408.76	12.21	-35.54
COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1OC(F)F	REAL300012043819	0	47	0.0	-45.06	379.41	9.69	-35.37
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012043820	0	43	0.0	-40.87	366.08	10.57	-30.30
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012043821	0	45	0.0	-50.83	363.22	9.16	-41.67
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012043823	0	39	0.0	-51.64	339.85	10.77	-40.87
CC1=CC=C(COC2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2)C=C1	REAL300012043824	0	56	0.0	-48.92	445.52	14.07	-34.85
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012043825	0	54	0.0	-35.61	396.58	11.20	-24.41
CCCCCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043826	0	58	0.0	-33.89	441.02	13.29	-20.60
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1SC	REAL300012043827	0	47	0.0	-49.72	381.36	10.46	-39.26
N#CCCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043828	0	50	0.0	-41.25	397.37	11.46	-29.79
CCCCCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC	REAL300012043829	0	59	0.0	-39.84	448.74	12.40	-27.44
CCC(C)OC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC	REAL300012043830	0	56	0.0	-49.45	431.83	11.64	-37.81
CCCCCCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043831	0	61	0.0	-45.98	471.69	14.26	-31.72
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCCCC#N	REAL300012043832	0	54	0.0	-43.85	426.60	11.35	-32.50
C=C(C)COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC	REAL300012043833	0	54	0.0	-50.14	425.37	11.59	-38.55
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCCC(C)C	REAL300012043834	0	59	0.0	-39.62	444.81	12.14	-27.48
C=CCC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC(OC)=C1O	REAL300012043835	0	51	0.0	-38.58	398.55	9.08	-29.50
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012043836	0	46	0.0	-50.97	371.85	10.03	-40.94
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043837	0	48	0.0	-38.35	386.66	10.96	-27.39
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043838	0	49	0.0	-33.84	406.96	8.55	-25.29
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012043839	0	45	0.0	-48.59	359.01	9.84	-38.75
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012043840	0	45	0.0	-32.31	369.66	10.81	-21.50
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012043841	0	52	0.0	-51.44	406.89	9.25	-42.19
CN1C=NC2=CC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CC=C21	REAL300012043842	0	45	0.0	-37.54	351.97	11.26	-26.28
CCN1N=C(C)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1C	REAL300012043843	0	48	0.0	-46.93	376.19	9.77	-37.16
C=CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Cl	REAL300012043844	0	47	0.0	-42.12	383.94	11.28	-30.84
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COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C2OC(C)CC2=C1	REAL300012043846	0	51	0.0	-31.05	389.00	9.95	-21.10
CC1(C)CC2=CC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CC=C2O1	REAL300012043847	0	50	0.0	-38.21	381.12	11.18	-27.03
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012043848	0	45	0.0	-43.54	362.53	8.44	-35.10
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012043849	0	42	0.0	-41.89	361.12	9.79	-32.10
CC1=CC=CC(C2=NNC=C2C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043850	0	49	0.0	-49.77	383.15	10.62	-39.15
CC1=CC=C(F)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043851	0	42	0.0	-38.96	331.08	10.70	-28.26
CC1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043852	0	42	0.0	-45.94	333.61	10.81	-35.13
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012043853	0	42	0.0	-39.52	359.46	11.44	-28.08
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012043854	0	39	0.0	-27.94	335.66	10.94	-17.00
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(Br)=C1	REAL300012043855	0	42	0.0	-41.87	349.33	11.38	-30.49
CC(C)COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043856	0	52	0.0	-36.09	396.61	11.64	-24.45
COCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043857	0	50	0.0	-37.97	388.63	9.41	-28.56
CC1(C)CCCC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012043858	0	51	0.0	-46.82	367.64	11.34	-35.48
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012043859	0	43	0.0	-40.82	358.93	10.04	-30.78
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012043860	0	47	0.0	-41.95	397.67	11.43	-30.52
CN1N=C(C2=CC=CC=C2)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Cl	REAL300012043861	0	49	0.0	-30.55	397.36	11.39	-19.16
CC1=CCCC(C)C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043862	0	49	0.0	-41.53	356.16	11.47	-30.06
COC1=CC2=C(C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1)OCO2	REAL300012043863	0	46	0.0	-46.35	366.71	8.13	-38.22
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012043864	0	44	0.0	-34.41	344.76	10.38	-24.03
CC(C)COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043865	0	52	0.0	-33.80	396.62	11.64	-22.16
CC1=CC(Cl)=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043866	0	42	0.0	-46.13	344.35	11.25	-34.88
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012043867	0	43	0.0	-51.82	350.32	11.49	-40.33
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012043868	0	38	0.0	-42.74	315.51	8.57	-34.17
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012043869	0	38	0.0	-37.50	319.72	8.75	-28.75
CN1N=NC2=CC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CC=C21	REAL300012043870	0	44	0.0	-56.28	356.82	8.56	-47.72
CC1(C)CC2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=C2O1	REAL300012043871	0	50	0.0	-29.69	375.05	11.26	-18.43
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012043872	0	44	0.0	-43.89	369.53	10.54	-33.35
COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012043873	0	42	0.0	-41.53	331.09	6.59	-34.94
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC=CC=C2)=N1	REAL300012043874	0	49	0.0	-38.35	372.74	11.11	-27.24
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012043875	0	46	0.0	-50.33	371.26	11.31	-39.02
CC(C)N1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012043876	0	45	0.0	-40.17	348.37	9.18	-30.99
CC1=C(Br)SC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043877	0	39	0.0	-47.08	344.33	10.55	-36.53
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012043878	0	44	0.0	-31.18	360.61	11.50	-19.68
CC1=NC2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2C=C1	REAL300012043879	0	47	0.0	-51.53	375.55	11.09	-40.44
COC1=CC=C(OC2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2)C=C1	REAL300012043880	0	54	0.0	-39.37	422.45	12.11	-27.26
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012043881	0	41	0.0	-34.69	333.43	9.12	-25.57
CC1=CC(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2)=CC(C)=C1	REAL300012043882	0	55	0.0	-47.87	429.87	14.85	-33.02
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1N1C=NC=N1	REAL300012043883	0	48	0.0	-40.91	377.66	13.47	-27.44
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012043884	0	42	0.0	-49.25	346.75	10.71	-38.54
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012043885	0	46	0.0	-39.60	368.01	10.46	-29.14
COCC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043886	0	46	0.0	-46.83	367.51	9.83	-37.00
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043887	0	49	0.0	-36.43	396.61	12.22	-24.21
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012043888	0	53	0.0	-36.13	421.34	13.27	-22.86
CCCCOC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043889	0	52	0.0	-41.61	405.53	11.97	-29.64
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012043890	0	50	0.0	-37.87	403.76	14.03	-23.84
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C(OC(F)F)C=C1C	REAL300012043891	0	49	0.0	-44.54	388.84	10.95	-33.59
COC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012043892	0	50	0.0	-36.40	381.85	9.83	-26.57
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043893	0	45	0.0	-31.83	369.73	10.90	-20.93
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043894	0	45	0.0	-39.25	354.69	8.68	-30.57
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043895	0	48	0.0	-31.38	387.27	9.78	-21.60
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012043896	0	43	0.0	-47.04	355.19	9.12	-37.92
CSC1=CC(Br)=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043897	0	43	0.0	-29.22	358.62	11.27	-17.95
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012043898	0	49	0.0	-45.59	396.23	11.73	-33.86
CC1CCC2=C(C1)SC(C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1)=N2	REAL300012043899	0	48	0.0	-30.84	375.83	10.40	-20.44
CC(C)(C)C1CCC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012043900	0	57	0.0	-35.73	389.80	12.12	-23.61
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043901	0	53	0.0	-32.42	403.48	12.92	-19.50
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043902	0	53	0.0	-33.25	403.56	12.90	-20.35
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043903	0	52	0.0	-46.79	409.99	11.14	-35.65
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012043904	0	50	0.0	-47.25	395.48	11.92	-35.33
COC1=CC(Cl)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Cl	REAL300012043905	0	43	0.0	-45.10	369.85	10.45	-34.65
CC(C)CC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012043906	0	47	0.0	-46.02	380.30	10.30	-35.72
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012043907	0	42	0.0	-47.31	369.35	10.21	-37.10
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012043908	0	42	0.0	-37.19	360.99	9.95	-27.24
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)S2)O1	REAL300012043909	0	45	0.0	-40.17	374.52	9.90	-30.27
CC1=CC(Br)=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043910	0	42	0.0	-46.16	348.92	11.36	-34.80
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012043911	0	39	0.0	-50.69	348.97	11.18	-39.51
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012043912	0	46	0.0	-34.24	372.86	9.95	-24.29
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012043913	0	48	0.0	-49.35	386.22	11.83	-37.52
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012043914	0	42	0.0	-44.26	356.56	11.07	-33.19
COCCOC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043915	0	50	0.0	-43.23	396.16	9.66	-33.57
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012043916	0	39	0.0	-31.84	342.64	11.11	-20.73
COC1=C(Br)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043917	0	43	0.0	-43.67	362.41	10.17	-33.50
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012043918	0	42	0.0	-31.55	337.08	9.21	-22.34
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC=CS2)=N1	REAL300012043919	0	46	0.0	-34.32	372.16	10.33	-23.99
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012043920	0	53	0.0	-35.19	419.40	12.80	-22.39
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012043921	0	50	0.0	-29.78	404.85	13.38	-16.40
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043922	0	58	0.0	-45.54	436.34	13.56	-31.98
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012043923	0	46	0.0	-41.02	371.93	11.94	-29.08
CC(C)(C)C1=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012043924	0	47	0.0	-45.85	379.30	9.90	-35.95
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012043925	0	45	0.0	-49.04	357.34	9.27	-39.77
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012043926	0	39	0.0	-47.27	334.13	10.73	-36.54
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012043927	0	39	0.0	-47.26	329.57	10.62	-36.64
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012043928	0	46	0.0	-42.65	364.41	11.20	-31.45
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012043929	0	49	0.0	-36.61	402.52	12.13	-24.48
CC(C)(C)N1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012043930	0	48	0.0	-35.37	368.42	9.81	-25.56
CC(=O)NC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043931	0	46	0.0	-38.47	360.91	8.93	-29.54
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012043932	0	39	0.0	-43.11	324.74	10.60	-32.51
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012043933	0	41	0.0	-55.61	341.06	10.78	-44.83
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012043934	0	41	0.0	-44.98	331.88	10.59	-34.39
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012043935	0	45	0.0	-44.06	353.40	12.26	-31.80
CN(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043936	0	47	0.0	-45.54	364.36	10.52	-35.02
CCN(CC)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012043937	0	53	0.0	-44.79	407.97	12.42	-32.37
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012043938	0	39	0.0	-37.28	324.95	10.54	-26.74
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012043939	0	39	0.0	-37.26	320.39	10.44	-26.82
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC(OC)=C1OC	REAL300012043940	0	51	0.0	-52.07	404.36	9.23	-42.84
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012043941	0	39	0.0	-31.83	320.35	10.29	-21.54
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012043942	0	43	0.0	-45.02	350.44	9.75	-35.27
COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1OC	REAL300012043943	0	47	0.0	-43.27	371.28	9.37	-33.90
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012043944	0	39	0.0	-27.94	331.09	10.83	-17.11
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012043945	0	52	0.0	-47.30	396.46	8.95	-38.35
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012043946	0	47	0.0	-50.10	371.20	9.31	-40.79
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(OC)=C1	REAL300012043947	0	47	0.0	-31.60	358.86	8.79	-22.81
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CC(C)(C)C1=NNC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012043997	0	48	0.0	-38.54	356.57	8.85	-29.69
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COC1=CC=C(F)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012043999	0	43	0.0	-44.56	346.40	9.45	-35.11
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NC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044009	0	43	0.0	-41.04	338.17	6.70	-34.34
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1F	REAL300012044010	0	43	0.0	-51.60	348.18	9.48	-42.12
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COC(=O)C1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CN1C	REAL300012044012	0	46	0.0	-36.04	365.20	10.19	-25.85
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Cl	REAL300012044013	0	42	0.0	-34.21	339.13	11.01	-23.20
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1C	REAL300012044014	0	46	0.0	-46.60	362.03	10.16	-36.44
CC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1F	REAL300012044015	0	42	0.0	-29.74	329.17	10.63	-19.11
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C#CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044020	0	48	0.0	-37.71	382.28	11.47	-26.24
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CC1=NN(C)C2=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)C=C12	REAL300012044022	0	47	0.0	-55.13	379.11	9.84	-45.29
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CCOCC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OC	REAL300012044026	0	53	0.0	-39.93	407.24	10.13	-29.80
NC(=O)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044027	0	43	0.0	-52.28	347.42	6.89	-45.39
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CC(C)COC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044035	0	52	0.0	-41.50	404.14	11.89	-29.61
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CC(C)(C)C1=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012044042	0	49	0.0	-39.02	375.20	9.89	-29.13
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CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044152	0	49	0.0	-50.64	403.80	12.56	-38.08
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044153	0	52	0.0	-36.82	401.30	12.37	-24.45
CC(C)(C#N)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044154	0	49	0.0	-49.87	389.07	12.07	-37.80
CC(C)C1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044155	0	48	0.0	-42.43	366.51	11.90	-30.53
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012044156	0	46	0.0	-44.61	357.05	9.45	-35.16
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012044157	0	45	0.0	-48.69	363.14	9.76	-38.93
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012044158	0	41	0.0	-42.69	328.10	8.78	-33.91
COC1=CC(OC)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1F	REAL300012044159	0	47	0.0	-37.21	365.00	8.87	-28.34
COC1=CC(F)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012044160	0	47	0.0	-47.60	375.60	9.36	-38.24
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(Cl)=C1	REAL300012044161	0	42	0.0	-42.47	345.73	11.26	-31.21
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044162	0	52	0.0	-36.93	401.33	12.37	-24.56
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(F)=C1	REAL300012044163	0	43	0.0	-30.45	336.22	9.20	-21.25
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012044164	0	46	0.0	-33.76	344.24	11.61	-22.15
COC1=CC=CC(F)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044165	0	43	0.0	-42.28	346.32	9.51	-32.77
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1	REAL300012044166	0	52	0.0	-45.46	400.46	11.77	-33.69
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012044167	0	41	0.0	-50.13	344.97	9.86	-40.27
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012044168	0	42	0.0	-48.59	361.62	11.25	-37.34
CCC1=C2OC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CC2=CC=C1	REAL300012044169	0	48	0.0	-40.34	376.24	11.94	-28.40
C=CCCN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)N=N1	REAL300012044170	0	45	0.0	-47.28	358.63	8.68	-38.60
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012044171	0	46	0.0	-32.82	346.13	9.61	-23.21
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012044172	0	47	0.0	-46.69	379.00	11.13	-35.56
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1	REAL300012044173	0	49	0.0	-45.17	378.57	10.97	-34.20
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012044174	0	43	0.0	-46.59	356.79	9.82	-36.77
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012044175	0	43	0.0	-36.42	345.29	9.81	-26.61
COC1=NC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044176	0	42	0.0	-44.31	338.32	6.88	-37.43
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012044177	0	52	0.0	-34.68	387.89	13.12	-21.56
CN1C=C(C2=NN(C)C=C2C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012044178	0	49	0.0	-50.14	391.88	9.28	-40.86
COCC1=CSC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044179	0	43	0.0	-36.18	350.71	8.81	-27.37
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012044180	0	45	0.0	-46.72	348.22	8.49	-38.23
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012044181	0	45	0.0	-38.44	386.57	11.52	-26.92
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012044182	0	39	0.0	-36.14	335.03	10.09	-26.05
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012044183	0	39	0.0	-42.75	327.25	9.34	-33.41
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012044184	0	39	0.0	-43.32	334.72	10.23	-33.09
CN(C)C1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=CC(F)=C1F	REAL300012044185	0	47	0.0	-47.81	373.11	10.15	-37.66
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012044186	0	39	0.0	-43.44	337.68	10.60	-32.84
CC(C)OC1=CC(Cl)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Cl	REAL300012044187	0	49	0.0	-44.71	409.63	12.00	-32.71
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012044188	0	51	0.0	-39.53	389.05	9.59	-29.94
CN(C)C1=CC(F)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1F	REAL300012044189	0	47	0.0	-47.06	377.76	9.70	-37.36
COC(=O)C1=C2CCCCN2C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044190	0	53	0.0	-36.23	407.44	11.74	-24.49
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012044191	0	39	0.0	-51.83	329.52	10.29	-41.54
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC(C(F)(F)F)=C1	REAL300012044192	0	46	0.0	-39.33	371.88	10.21	-29.12
C=CCOC1=C(Cl)C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012044193	0	51	0.0	-42.62	417.13	11.29	-31.33
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC1CC1	REAL300012044194	0	51	0.0	-50.79	402.44	10.98	-39.81
CCCN1N=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044195	0	45	0.0	-45.25	349.17	9.27	-35.98
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044196	0	42	0.0	-51.80	354.67	8.69	-43.11
COCC(C)OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044197	0	53	0.0	-39.92	405.19	10.14	-29.78
CCCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012044198	0	45	0.0	-36.16	360.04	11.43	-24.73
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012044199	0	46	0.0	-47.51	379.82	12.73	-34.78
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012044200	0	52	0.0	-45.97	407.08	12.18	-33.79
CC(C)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044201	0	48	0.0	-45.04	373.06	12.03	-33.01
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(Cl)=N1	REAL300012044202	0	39	0.0	-44.13	325.96	8.26	-35.87
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012044203	0	46	0.0	-47.74	389.72	10.97	-36.77
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C(C)(C)C	REAL300012044204	0	55	0.0	-35.54	404.35	11.91	-23.63
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012044205	0	52	0.0	-44.74	403.50	13.62	-31.12
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044206	0	47	0.0	-29.44	375.71	9.29	-20.15
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=NC=C1Br	REAL300012044207	0	41	0.0	-40.49	338.58	9.30	-31.19
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C(Br)C=C1F	REAL300012044208	0	42	0.0	-44.23	354.67	11.40	-32.83
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012044209	0	40	0.0	-41.91	340.61	7.82	-34.09
CN1C=C(C2=NC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CS2)C=N1	REAL300012044210	0	45	0.0	-49.16	381.96	8.71	-40.45
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1Cl	REAL300012044211	0	43	0.0	-50.06	357.98	9.96	-40.10
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012044212	0	49	0.0	-33.19	363.48	10.31	-22.88
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012044213	0	45	0.0	-49.70	365.45	9.91	-39.79
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012044214	0	45	0.0	-47.09	361.92	11.68	-35.41
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(Br)=N1	REAL300012044215	0	39	0.0	-42.69	330.09	8.33	-34.36
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(F)=C1	REAL300012044216	0	42	0.0	-44.10	338.30	10.84	-33.26
CC(=O)NC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044217	0	46	0.0	-54.40	369.01	9.02	-45.38
CN1N=CC2=CC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CN=C21	REAL300012044218	0	44	0.0	-41.66	347.95	9.05	-32.61
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012044219	0	38	0.0	-33.78	325.74	8.76	-25.02
COC1=CC(Cl)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC	REAL300012044220	0	47	0.0	-45.93	383.01	9.79	-36.14
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012044221	0	45	0.0	-49.03	373.83	11.90	-37.13
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044222	0	59	0.0	-50.24	460.35	10.56	-39.68
CN1N=C2CCCCC2=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044223	0	49	0.0	-36.48	364.18	9.85	-26.63
CCOC(=O)C1=C(C)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C(C)N1	REAL300012044224	0	52	0.0	-49.59	412.52	10.50	-39.09
CC1=C(C)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CS1	REAL300012044225	0	42	0.0	-43.55	337.58	10.39	-33.16
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012044226	0	38	0.0	-53.96	330.04	8.80	-45.16
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012044227	0	49	0.0	-49.22	405.89	14.08	-35.14
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012044228	0	39	0.0	-50.54	343.82	10.84	-39.70
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(Br)SC=C1	REAL300012044229	0	36	0.0	-42.26	320.38	9.77	-32.49
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C(F)C=C1OC	REAL300012044230	0	50	0.0	-47.49	397.45	10.29	-37.20
COC1=NC=C(Br)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044231	0	42	0.0	-32.82	348.76	7.45	-25.37
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012044232	0	45	0.0	-47.44	358.95	12.29	-35.15
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CN=C1Br	REAL300012044233	0	38	0.0	-45.67	323.02	8.80	-36.87
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C(F)C=C1Br	REAL300012044234	0	43	0.0	-47.68	366.79	10.12	-37.56
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012044235	0	39	0.0	-28.19	335.25	10.87	-17.32
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012044236	0	43	0.0	-46.71	363.53	10.05	-36.66
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044237	0	49	0.0	-30.91	381.15	11.35	-19.56
CCOC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044238	0	46	0.0	-37.63	361.42	10.21	-27.42
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012044239	0	53	0.0	-40.89	397.39	10.89	-30.00
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012044240	0	43	0.0	-33.09	345.98	9.48	-23.61
CC(C)(C)OC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044241	0	52	0.0	-33.24	385.15	11.12	-22.12
CC1=C(Cl)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044242	0	42	0.0	-45.00	341.28	11.17	-33.83
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C(F)C=C1C	REAL300012044243	0	46	0.0	-44.82	366.48	10.20	-34.62
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1Br	REAL300012044244	0	45	0.0	-33.61	360.72	11.77	-21.84
CC1=CC=NC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Br	REAL300012044245	0	41	0.0	-31.59	331.89	9.11	-22.48
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044246	0	56	0.0	-36.84	426.90	10.27	-26.57
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC(F)=CC=C2F)=N1	REAL300012044247	0	49	0.0	-37.10	401.05	11.32	-25.78
CC(C)(C)C1=CSC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012044248	0	47	0.0	-30.66	372.08	9.75	-20.91
COCCC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012044249	0	45	0.0	-47.82	374.31	7.90	-39.92
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012044252	1	40	0.0	-47.80	335.16	7.46	-40.34
CN1N=C2CCSCC2=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044253	0	47	0.0	-38.71	360.74	9.47	-29.24
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC=CC=C2)=N1	REAL300012044254	0	52	0.0	-35.78	401.74	12.34	-23.44
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012044255	0	47	0.0	-34.59	346.71	9.69	-24.90
COCC1=C(C)C=C(C)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1C	REAL300012044256	0	55	0.0	-44.44	414.81	11.29	-33.15
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012044257	0	41	0.0	-49.40	331.40	10.46	-38.94
CC1=C(Br)C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012044258	0	39	0.0	-45.66	344.38	10.57	-35.09
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012044259	0	49	0.0	-38.43	394.59	13.84	-24.59
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012044260	0	44	0.0	-35.19	344.28	10.26	-24.93
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C	REAL300012044261	0	52	0.0	-37.17	396.58	11.69	-25.48
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012044262	0	43	0.0	-52.07	348.88	8.53	-43.54
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1CN1C=CC=N1	REAL300012044263	0	53	0.0	-42.22	415.88	10.90	-31.32
CCOC1=CC=CC(F)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044264	0	46	0.0	-41.86	368.17	10.43	-31.43
CC1=CC=C(Br)C(F)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044265	0	42	0.0	-46.20	355.37	11.26	-34.94
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=CC=C1[N+](=O)[O-]	REAL300012044266	0	44	0.0	-38.39	346.29	11.14	-27.25
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044267	0	47	0.0	-52.26	371.81	11.76	-40.50
COC1=CC=C(CN2C=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)N=N2)C=C1	REAL300012044268	0	52	0.0	-52.58	413.77	9.66	-42.92
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(F)=C1OC	REAL300012044269	0	47	0.0	-48.73	380.52	9.46	-39.27
COC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(F)=C1	REAL300012044270	0	45	0.0	-33.77	361.37	10.57	-23.20
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012044271	0	49	0.0	-34.61	389.72	10.31	-24.30
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O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012044273	0	46	0.0	-45.37	375.55	10.71	-34.66
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012044274	0	38	0.0	-40.97	315.55	8.61	-32.36
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044275	0	55	0.0	-47.39	428.03	13.13	-34.26
CC1=CC(C#N)=CC(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044276	0	46	0.0	-36.63	363.47	11.51	-25.12
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CC(C)(C)C1=COC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012044278	0	47	0.0	-45.24	370.00	7.49	-37.75
CCCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044279	0	48	0.0	-45.24	377.23	12.33	-32.91
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012044280	0	45	0.0	-40.72	386.23	11.28	-29.44
COC1=CC=C(C2=NC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CS2)C=C1	REAL300012044281	0	49	0.0	-40.94	398.94	10.08	-30.86
CC1=C2C=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)C=NC2=NN1	REAL300012044283	0	44	0.0	-58.70	355.90	8.64	-50.06
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044284	0	47	0.0	-38.17	380.34	6.53	-31.64
CN1N=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C2=CC=CC=C21	REAL300012044285	0	45	0.0	-40.28	353.46	9.84	-30.44
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012044286	0	42	0.0	-51.07	339.34	8.73	-42.34
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CN1C(Cl)=NC(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044287	0	39	0.0	-42.12	335.84	9.15	-32.97
CCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012044288	0	42	0.0	-44.54	346.46	10.80	-33.74
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012044289	0	44	0.0	-31.02	344.26	10.33	-20.69
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)N2C=CC=CC2=N1	REAL300012044290	0	45	0.0	-39.55	346.59	10.80	-28.75
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044291	1	59	0.0	-34.63	424.74	12.23	-22.40
CCC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012044292	0	41	0.0	-35.88	333.13	8.69	-27.19
COC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)SC=C1	REAL300012044293	0	40	0.0	-41.70	332.57	8.53	-33.17
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012044294	0	45	0.0	-51.10	368.64	8.35	-42.75
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CSC=C1Cl	REAL300012044295	0	36	0.0	-29.11	305.95	9.24	-19.87
CC1=NN2C(=NC(C)=C2C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012044296	0	44	0.0	-46.16	366.80	9.29	-36.87
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012044297	0	50	0.0	-33.90	400.07	10.53	-23.37
CCCC(C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012044298	0	51	0.0	-35.61	385.14	12.81	-22.80
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012044299	0	44	0.0	-40.70	366.19	11.05	-29.65
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012044300	0	39	0.0	-49.24	343.31	10.42	-38.82
CN(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C(F)(F)F)=C1	REAL300012044301	0	50	0.0	-42.62	391.94	11.45	-31.17
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044302	0	49	0.0	-50.48	394.69	12.74	-37.74
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044303	0	48	0.0	-48.17	402.68	11.71	-36.46
CC(C)C1CCC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012044304	0	54	0.0	-46.46	389.18	12.17	-34.29
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012044305	0	42	0.0	-43.15	362.27	11.23	-31.92
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012044306	0	42	0.0	-46.43	354.26	11.13	-35.30
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044307	0	50	0.0	-51.44	399.09	11.51	-39.93
COCC1=CC=CC=C1C=C(C)C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044308	0	53	0.0	-50.02	411.49	11.72	-38.30
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044309	0	49	0.0	-32.20	382.27	10.85	-21.35
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012044310	0	48	0.0	-46.08	381.62	11.88	-34.20
CN1N=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Cl	REAL300012044311	0	39	0.0	-32.71	321.00	8.03	-24.68
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012044312	0	41	0.0	-46.89	328.11	7.47	-39.42
COC1=CC=C(N2C=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)C=N2)C=C1	REAL300012044313	0	50	0.0	-39.12	393.98	10.51	-28.61
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044314	0	54	0.0	-46.12	432.70	13.47	-32.65
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012044315	0	41	0.0	-45.72	344.91	7.96	-37.76
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012044316	0	46	0.0	-48.39	361.62	12.22	-36.17
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NC=C1Br	REAL300012044317	0	38	0.0	-43.95	324.12	8.88	-35.07
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012044318	0	42	0.0	-48.32	358.04	6.65	-41.67
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012044319	0	45	0.0	-44.19	364.64	10.80	-33.39
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(F)=C1	REAL300012044320	0	44	0.0	-38.90	361.08	4.87	-34.03
CC(C)(C)N1N=NC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012044321	1	46	0.0	-34.48	359.88	7.84	-26.64
CC(C)N1C=CN=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044322	0	45	0.0	-40.29	340.14	9.67	-30.62
CC1=C(Br)C=NC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044323	0	41	0.0	-34.02	338.08	9.41	-24.61
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044324	0	42	0.0	-41.45	332.01	8.33	-33.12
CN1N=CC(C2CC2)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044325	0	46	0.0	-36.73	353.43	9.53	-27.20
CN1N=CC(C2CCC2)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044326	0	49	0.0	-46.90	379.08	10.24	-36.66
CC1=C2C=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)NC2=CC=C1	REAL300012044327	0	46	0.0	-47.96	365.28	10.70	-37.26
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012044328	0	45	0.0	-40.55	356.69	9.15	-31.40
CC1=CC=C2C=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)NC2=C1	REAL300012044329	0	46	0.0	-37.68	358.47	10.64	-27.04
CCOC1=CN=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044330	0	45	0.0	-37.61	349.87	8.33	-29.28
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012044331	0	38	0.0	-44.65	320.54	8.79	-35.86
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012044332	0	50	0.0	-49.08	388.11	8.73	-40.35
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012044333	0	42	0.0	-39.96	326.28	8.59	-31.37
CCC(F)(F)C(C)(C)C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044334	0	47	0.0	-33.57	342.10	10.29	-23.28
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012044335	0	43	0.0	-38.65	334.97	9.94	-28.71
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012044336	0	42	0.0	-43.66	338.10	7.47	-36.19
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012044337	0	41	0.0	-43.61	331.82	9.05	-34.56
CN(C)C1=CC=C(C#N)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044338	0	48	0.0	-37.20	373.74	11.04	-26.16
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012044339	0	49	0.0	-52.11	378.35	7.47	-44.64
COC1=CN=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1C	REAL300012044340	0	45	0.0	-35.12	348.13	8.22	-26.90
CC1=CC(C)=C(C=CC[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1	REAL300012044341	0	52	0.0	-48.61	402.85	13.26	-35.35
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012044342	0	59	0.0	-48.91	452.51	8.95	-39.96
CC(C)(C)OC(=O)NC(C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1)CC(F)F	REAL300012044343	0	55	0.0	-41.15	408.91	8.84	-32.31
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012044344	0	49	0.0	-48.11	381.31	7.61	-40.50
CCCN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)N=N1	REAL300012044345	0	44	0.0	-47.80	345.82	8.12	-39.68
CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044346	0	47	0.0	-32.89	359.53	10.73	-22.16
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012044347	0	44	0.0	-39.86	350.40	10.35	-29.51
CC1=CC(C)=C(C=CC[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C	REAL300012044348	0	52	0.0	-36.33	393.07	13.04	-23.29
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044349	0	44	0.0	-56.29	367.02	5.07	-51.22
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012044350	0	42	0.0	-39.19	334.15	7.30	-31.89
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012044351	0	48	0.0	-41.85	364.80	10.64	-31.21
CC1=NN(C)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Cl	REAL300012044352	0	42	0.0	-46.88	351.54	8.77	-38.11
CN1C=CC(C2=NC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CS2)=N1	REAL300012044353	0	45	0.0	-49.16	374.27	8.44	-40.72
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2CCCC2)=N1	REAL300012044354	0	52	0.0	-47.94	401.04	11.02	-36.92
CC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Br	REAL300012044355	0	42	0.0	-31.55	342.84	11.14	-20.41
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012044356	0	50	0.0	-38.93	399.54	12.88	-26.05
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012044357	0	47	0.0	-47.82	366.57	10.74	-37.08
CN(C)C(=O)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044358	0	49	0.0	-51.67	384.38	9.96	-41.71
CCC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(Cl)=NN1	REAL300012044359	0	42	0.0	-46.83	350.57	8.25	-38.58
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012044360	0	43	0.0	-44.60	359.20	9.07	-35.53
CCC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=NO1	REAL300012044361	0	44	0.0	-36.55	340.24	9.48	-27.07
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C2CCCCC2=N1	REAL300012044362	0	51	0.0	-37.32	376.32	11.04	-26.28
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012044363	0	54	0.0	-33.56	403.99	12.08	-21.48
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300012044364	0	43	0.0	-38.68	340.91	9.49	-29.19
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012044365	0	38	0.0	-45.56	330.47	8.09	-37.47
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CN=C1F	REAL300012044366	0	41	0.0	-52.38	334.09	8.89	-43.49
CC1=CC(F)=NC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044367	0	41	0.0	-35.75	324.69	8.79	-26.96
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012044368	0	42	0.0	-38.89	343.09	10.89	-28.00
COC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C	REAL300012044369	0	48	0.0	-42.21	374.70	11.13	-31.08
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1	REAL300012044370	0	46	0.0	-45.37	356.72	10.03	-35.34
CC1=C(Cl)C=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Cl	REAL300012044371	0	42	0.0	-43.32	357.96	11.57	-31.75
N#CC1=CC=C(Br)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044372	0	40	0.0	-48.35	348.74	11.09	-37.26
CC1CC2=CC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CC=C2O1	REAL300012044373	0	47	0.0	-37.58	360.67	10.52	-27.06
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012044374	0	42	0.0	-52.16	344.60	7.61	-44.55
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012044375	0	44	0.0	-42.31	348.20	9.95	-32.36
CSCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044376	0	46	0.0	-47.61	378.97	12.00	-35.61
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012044377	0	49	0.0	-35.56	377.89	10.74	-24.82
CN1N=C2CCOCC2=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044378	0	47	0.0	-38.48	353.26	7.46	-31.02
CN1N=C2CCCC2=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044379	0	46	0.0	-37.61	348.90	9.34	-28.27
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012044380	0	46	0.0	-47.14	361.61	9.89	-37.25
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012044381	0	46	0.0	-40.27	353.52	9.77	-30.50
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044382	0	52	0.0	-48.44	415.74	11.73	-36.71
COC(=O)COC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044383	0	49	0.0	-47.12	397.05	11.05	-36.07
COC1=CC=C(C)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044384	0	46	0.0	-44.59	356.69	10.03	-34.56
CN1C=NC2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=C21	REAL300012044385	0	45	0.0	-35.53	342.80	11.08	-24.45
CN(C)C(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044386	0	49	0.0	-56.68	382.78	9.92	-46.76
CC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044387	0	42	0.0	-34.76	331.48	10.65	-24.11
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1C	REAL300012044388	0	48	0.0	-32.57	357.74	11.73	-20.84
CCNC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044389	0	49	0.0	-40.73	381.59	9.04	-31.69
CC(C)(C)C1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044390	0	51	0.0	-32.06	367.51	12.03	-20.03
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012044391	0	49	0.0	-33.53	361.89	10.40	-23.13
COC1=CC=C2SC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CC2=C1	REAL300012044392	0	46	0.0	-47.93	379.77	10.93	-37.00
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012044393	0	42	0.0	-36.48	326.78	9.36	-27.12
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044394	0	55	0.0	-40.74	414.23	11.66	-29.08
CCN1CCC2=CC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CC=C21	REAL300012044395	0	51	0.0	-46.32	385.29	10.25	-36.07
CCN(C)C(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044396	0	52	0.0	-41.28	396.47	10.82	-30.46
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=NN1C(C)C	REAL300012044397	0	48	0.0	-47.52	375.39	9.89	-37.63
CSC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Cl	REAL300012044398	0	43	0.0	-41.84	358.87	11.38	-30.46
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1C1CC1	REAL300012044399	0	49	0.0	-35.32	370.69	12.54	-22.78
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=N1	REAL300012044400	0	45	0.0	-36.48	352.81	7.58	-28.90
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1C1CC1	REAL300012044401	0	49	0.0	-34.08	371.24	12.57	-21.51
CC1=NN(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)C(C)=C2)C=C1	REAL300012044402	0	52	0.0	-50.80	407.92	12.51	-38.29
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012044403	0	45	0.0	-50.40	384.05	11.99	-38.41
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044404	0	49	0.0	-49.68	402.76	12.43	-37.25
CCC1=CC(Br)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012044405	0	42	0.0	-28.39	350.99	11.04	-17.35
CC1=NN(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2)C=C1Cl	REAL300012044406	0	49	0.0	-52.08	409.36	12.41	-39.67
COC(=O)C1=CC2=C(C=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)O2)N1	REAL300012044407	0	46	0.0	-53.17	381.04	8.91	-44.26
COCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300012044408	0	47	0.0	-39.98	374.53	8.73	-31.25
CC(C)(C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1)C1=CC=C(Br)C=C1	REAL300012044409	0	48	0.0	-35.49	371.96	12.23	-23.26
CC1=NN(C(C)C)C(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044410	0	51	0.0	-38.56	386.64	10.22	-28.34
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012044411	0	42	0.0	-46.73	343.44	8.83	-37.90
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=N1	REAL300012044412	0	45	0.0	-35.50	345.20	9.12	-26.38
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012044413	0	39	0.0	-36.91	341.69	11.03	-25.88
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1	REAL300012044414	0	55	0.0	-33.42	421.04	14.67	-18.75
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2CC2)=N1	REAL300012044415	0	46	0.0	-35.19	354.08	9.72	-25.47
COC1=CC=CC(C2=CSC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=N2)=C1	REAL300012044416	0	49	0.0	-33.84	399.02	10.11	-23.73
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044417	0	59	0.0	-50.96	460.75	10.57	-40.39
COC(=O)C1=C2COCCN2C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044418	0	51	0.0	-37.43	399.17	9.37	-28.06
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012044419	0	56	0.0	-55.26	425.84	12.01	-43.25
CN1N=C(C2CC2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044420	0	46	0.0	-48.26	364.78	9.76	-38.50
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044421	0	49	0.0	-51.69	383.87	13.03	-38.66
CC(C)C1=NOC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044422	0	44	0.0	-49.30	350.67	9.41	-39.89
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012044423	0	43	0.0	-44.84	368.57	9.03	-35.81
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012044424	0	49	0.0	-39.80	377.82	6.45	-33.35
COC1=NC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1F	REAL300012044425	0	42	0.0	-32.73	336.80	6.71	-26.02
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012044426	0	39	0.0	-27.86	325.62	10.64	-17.22
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012044427	0	39	0.0	-50.34	343.24	10.82	-39.52
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012044428	0	39	0.0	-53.78	329.83	10.08	-43.70
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C(C(C)(C)C)O1	REAL300012044429	0	51	0.0	-44.95	396.48	11.66	-33.29
CC1=C(C)SC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012044430	0	41	0.0	-31.19	331.93	8.49	-22.70
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012044431	0	48	0.0	-50.29	384.29	10.36	-39.93
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012044432	0	59	0.0	-43.34	430.10	11.03	-32.31
CC1=CC(Br)=CN=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044433	0	41	0.0	-44.16	346.22	9.41	-34.75
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012044434	0	45	0.0	-53.10	386.72	8.03	-45.07
CC1OC2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2C1C	REAL300012044435	0	50	0.0	-48.28	386.24	11.22	-37.06
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OC(F)F	REAL300012044436	0	46	0.0	-33.52	363.33	10.26	-23.26
CC1=NC(Cl)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Br	REAL300012044437	0	41	0.0	-38.01	352.51	9.76	-28.25
CC(C)CC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044438	0	51	0.0	-33.22	375.36	12.63	-20.59
CN1N=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1S(C)(=O)=O	REAL300012044439	0	45	0.0	-50.46	360.91	5.35	-45.11
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)NN=C1C(F)(F)F	REAL300012044440	0	42	0.0	-51.61	347.98	7.97	-43.64
CC(C)CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)N=N1	REAL300012044441	0	47	0.0	-47.82	361.55	8.76	-39.06
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012044442	0	42	0.0	-30.90	342.29	9.27	-21.63
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012044443	0	39	0.0	-52.93	333.51	7.46	-45.47
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012044444	0	44	0.0	-35.00	339.47	9.76	-25.24
CN1C=C(Cl)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012044445	0	39	0.0	-34.60	320.52	8.08	-26.52
CS(=O)(=O)C1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=CS1	REAL300012044446	0	42	0.0	-46.12	355.62	7.16	-38.96
CSC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044447	0	43	0.0	-46.38	353.09	11.13	-35.25
CC(C)C1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)N(C)N=C1	REAL300012044448	0	48	0.0	-46.78	374.60	9.60	-37.18
CC1=C(Br)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C(C)S1	REAL300012044449	0	42	0.0	-42.07	361.18	11.09	-30.98
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC=CC(F)=C2)=N1	REAL300012044450	0	49	0.0	-36.85	381.18	11.29	-25.56
CCCN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=N1	REAL300012044451	0	48	0.0	-47.46	377.89	10.12	-37.34
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012044452	0	41	0.0	-41.06	328.10	8.71	-32.35
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012044453	0	46	0.0	-35.90	369.99	12.22	-23.68
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012044454	0	47	0.0	-47.98	373.26	11.09	-36.89
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012044455	0	43	0.0	-31.41	352.72	9.69	-21.72
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012044456	0	45	0.0	-49.43	384.04	11.99	-37.44
CC1=NC=CN1C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1	REAL300012044457	0	52	0.0	-52.43	407.74	13.13	-39.30
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CCNC(=O)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044462	0	49	0.0	-51.88	390.80	9.23	-42.65
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)OC2=CC=C(F)C=C12	REAL300012044463	0	45	0.0	-48.20	367.56	11.34	-36.86
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CCCN1C=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012044466	0	45	0.0	-39.70	351.77	9.34	-30.36
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CC(C)(C)C1=CN=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044468	0	50	0.0	-35.03	374.98	10.42	-24.61
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CN1C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=NC2=C1CCCC2	REAL300012044471	0	49	0.0	-43.89	366.04	10.56	-33.33
COC1=NC(Cl)=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044472	0	42	0.0	-46.92	355.52	7.30	-39.62
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C(F)(F)F)=N1	REAL300012044473	0	42	0.0	-37.12	344.93	8.79	-28.33
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CCOC1=CC=C(Cl)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044476	0	46	0.0	-33.81	375.19	10.81	-23.00
COC1=NN(C)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044477	0	43	0.0	-32.85	337.82	5.80	-27.05
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O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012044484	0	39	0.0	-33.16	336.16	10.63	-22.53
CN(CCO)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012044485	0	50	0.0	-39.55	383.36	7.50	-32.05
COC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=CC=C1C(C)(C)C	REAL300012044486	0	55	0.0	-29.52	395.47	12.05	-17.47
CN1C=C(Br)N=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044487	0	39	0.0	-30.84	327.88	8.90	-21.94
COC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012044488	0	45	0.0	-34.68	350.45	7.33	-27.35
COC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1O	REAL300012044489	0	47	0.0	-35.50	363.36	7.76	-27.74
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012044490	0	45	0.0	-53.25	369.20	9.24	-44.01
CN1C(=O)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC2=CC=CC=C21	REAL300012044491	0	48	0.0	-50.18	378.93	10.89	-39.29
COC1=NC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1C	REAL300012044492	0	45	0.0	-46.37	359.75	7.49	-38.88
CCCN1C=NC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044493	0	45	0.0	-32.41	343.99	10.89	-21.52
CC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1Br	REAL300012044494	0	48	0.0	-33.41	378.98	12.22	-21.19
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012044495	0	46	0.0	-40.59	363.24	9.97	-30.62
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012044496	0	52	0.0	-44.78	403.57	13.63	-31.15
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044497	0	49	0.0	-51.28	409.04	10.88	-40.40
CCC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=NN1CC	REAL300012044498	0	48	0.0	-45.05	366.93	9.86	-35.19
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012044499	0	39	0.0	-44.18	339.27	10.66	-33.52
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044500	0	56	0.0	-51.82	434.74	10.36	-41.46
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012044501	0	43	0.0	-40.40	350.41	9.57	-30.83
COC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=CS1	REAL300012044502	0	40	0.0	-42.14	333.99	8.54	-33.60
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C(F)(F)F)=CO1	REAL300012044503	0	42	0.0	-43.71	350.84	9.88	-33.83
CC(F)(F)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044504	0	45	0.0	-47.53	366.05	11.63	-35.90
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012044505	0	45	0.0	-37.39	366.62	10.71	-26.68
CN1C=C(C2=NNC=C2C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300012044506	0	46	0.0	-40.24	364.68	7.84	-32.40
CCCN1N=C(C)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Cl	REAL300012044507	0	48	0.0	-43.35	395.03	10.43	-32.92
CC(C)(C#N)C1=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012044508	0	45	0.0	-42.25	371.62	9.32	-32.93
COC1=CC=C(Br)C(F)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044509	0	43	0.0	-43.58	366.52	10.12	-33.46
N#CC1=CC(F)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(Br)=C1	REAL300012044510	0	40	0.0	-33.56	346.10	10.79	-22.77
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012044511	0	39	0.0	-42.55	322.39	10.16	-32.39
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012044512	0	46	0.0	-47.54	378.42	12.54	-35.00
CC(C)(C)C1=NNC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044513	0	48	0.0	-48.49	374.43	8.95	-39.54
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012044514	0	45	0.0	-34.12	367.28	12.70	-21.42
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012044515	0	56	0.0	-42.32	423.00	13.01	-29.31
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012044516	0	50	0.0	-38.32	409.67	13.36	-24.96
C=CCC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044517	0	46	0.0	-43.41	359.47	11.98	-31.43
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012044518	0	59	0.0	-43.97	442.66	13.63	-30.34
COC1=CC=CC(OC2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)C=C2)=C1	REAL300012044519	0	54	0.0	-40.10	422.42	12.13	-27.97
CCN1CCCC2=CC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=CC=C21	REAL300012044520	0	54	0.0	-45.61	401.79	11.24	-34.37
COCC1=CN=C(OC)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044521	0	49	0.0	-44.88	392.68	6.66	-38.22
CN1N=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Br	REAL300012044522	0	39	0.0	-32.13	324.20	8.10	-24.03
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044523	0	54	0.0	-50.06	431.92	12.90	-37.16
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012044524	0	42	0.0	-37.55	332.62	8.03	-29.52
COC1=C(Br)C=CC(F)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044525	0	43	0.0	-41.83	367.99	10.19	-31.64
COCC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044526	0	46	0.0	-44.93	359.25	9.97	-34.96
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012044527	0	52	0.0	-37.72	412.98	14.93	-22.79
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012044528	0	43	0.0	-49.16	369.27	11.57	-37.59
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012044529	0	52	0.0	-49.17	406.04	10.78	-38.39
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012044530	0	47	0.0	-37.13	357.93	10.03	-27.10
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012044531	0	43	0.0	-37.53	341.22	5.29	-32.24
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)SC2=CC(F)=CC=C12	REAL300012044532	0	45	0.0	-46.92	373.15	12.22	-34.70
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012044533	0	45	0.0	-53.52	367.07	8.28	-45.24
COC1=CC=C(F)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1OC	REAL300012044534	0	47	0.0	-42.17	376.75	9.42	-32.75
CN1C=CC(C2=NNC=C2C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012044535	0	46	0.0	-37.18	368.41	8.07	-29.11
CC1=CC=C(F)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Br	REAL300012044536	0	42	0.0	-40.75	354.05	11.21	-29.54
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012044537	0	62	0.0	-41.66	464.74	14.40	-27.26
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012044538	0	53	0.0	-33.78	403.26	12.27	-21.51
CC(F)(F)C1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044539	0	45	0.0	-41.19	352.60	11.50	-29.69
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OCCO	REAL300012044540	0	51	0.0	-52.52	404.42	7.15	-45.37
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2CC2)=N1	REAL300012044541	0	49	0.0	-34.55	378.04	10.67	-23.88
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1OCCO	REAL300012044542	0	51	0.0	-42.64	395.62	6.95	-35.69
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2=CC=NN2C)=N1	REAL300012044543	0	49	0.0	-36.56	394.20	8.92	-27.64
CC(C)(C)C1=NOC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044544	0	47	0.0	-35.48	352.40	9.74	-25.74
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012044545	0	44	0.0	-51.36	353.84	10.59	-40.77
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC=C1OCC1CCCO1	REAL300012044546	0	58	0.0	-52.89	450.13	10.74	-42.15
CC1=CC2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=C2O1	REAL300012044547	0	45	0.0	-44.18	362.08	11.26	-32.92
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012044548	0	42	0.0	-37.62	338.79	10.92	-26.70
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012044549	0	46	0.0	-46.49	387.74	10.90	-35.59
COC1=CSC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1OC	REAL300012044550	0	44	0.0	-32.47	353.33	8.08	-24.39
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012044551	0	45	0.0	-34.47	347.21	10.00	-24.47
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012044552	0	42	0.0	-41.73	356.95	9.25	-32.48
CS(=O)(=O)C1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)SC=C1	REAL300012044553	0	42	0.0	-53.94	353.44	6.81	-47.13
CS(=O)(=O)C1=COC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044554	0	42	0.0	-45.68	349.23	5.58	-40.10
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012044555	0	42	0.0	-48.58	355.64	11.17	-37.41
CC(C)OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1F	REAL300012044556	0	49	0.0	-43.49	380.34	10.96	-32.53
CCN1C=C(Cl)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012044557	0	42	0.0	-34.47	342.06	8.93	-25.54
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CC1=NN(C2CCCC2)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044565	0	52	0.0	-46.62	400.55	11.19	-35.43
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COC1=NC(C)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1Cl	REAL300012044572	0	48	0.0	-47.97	386.62	8.36	-39.61
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CC1=NN(C2CCOCC2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044579	0	53	0.0	-35.66	396.28	9.10	-26.56
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CC1=NN(C2CCCC2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044585	0	52	0.0	-46.61	397.76	11.14	-35.47
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CC1=CC(Br)=C(F)C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044587	0	42	0.0	-42.71	351.71	11.30	-31.41
COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1Br	REAL300012044588	0	43	0.0	-42.78	357.30	10.01	-32.77
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CC1=C(F)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044591	0	42	0.0	-45.79	332.54	10.77	-35.02
CN1C=C(C2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC3=CC=CC=C3)=C2)C=N1	REAL300012044592	0	49	0.0	-50.54	392.97	11.41	-39.13
COC1=CC(F)=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1Br	REAL300012044593	0	43	0.0	-46.63	366.83	10.13	-36.50
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CC1=CC=C(Br)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044595	0	42	0.0	-45.12	348.50	11.35	-33.77
COC1=C(C#N)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044596	0	44	0.0	-49.95	362.28	9.92	-40.03
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CC1=NC(Cl)=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044600	0	41	0.0	-49.91	339.94	9.28	-40.63
CC(C)(C)COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044601	0	55	0.0	-45.65	424.63	12.45	-33.20
COC1=CC(Cl)=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044602	0	43	0.0	-37.21	349.89	9.73	-27.48
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COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=CC(F)=C1F	REAL300012044604	0	43	0.0	-45.50	345.69	9.35	-36.15
COC1=CC(C)=NC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044605	0	45	0.0	-44.58	358.13	8.31	-36.27
CC(C)N1C=NC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044606	0	45	0.0	-40.46	349.60	10.57	-29.89
CN1N=CC=C1C1=NNC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044607	0	46	0.0	-37.28	370.27	7.63	-29.65
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C2CC2)=NO1	REAL300012044608	0	45	0.0	-37.22	350.80	10.30	-26.92
COC(=O)C1=C(C)NC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1C	REAL300012044609	0	49	0.0	-37.19	384.51	9.66	-27.53
CC(C)OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)O1	REAL300012044610	0	46	0.0	-46.73	368.36	10.34	-36.39
CC1=CC(Br)=CC(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044611	0	45	0.0	-33.06	364.01	11.74	-21.32
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012044612	0	40	0.0	-37.73	335.03	7.89	-29.84
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012044613	0	42	0.0	-42.34	352.92	9.17	-33.17
N#CC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044614	0	40	0.0	-43.72	330.90	10.37	-33.35
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012044615	0	55	0.0	-44.76	414.30	13.92	-30.84
COC1=CC=CC=C1C=CC[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044616	0	47	0.0	-49.33	372.29	10.78	-38.55
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)SC(Br)=C1	REAL300012044617	0	39	0.0	-44.97	342.72	10.53	-34.44
CC1=NN(C2CCC2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044618	0	49	0.0	-34.07	369.43	10.27	-23.80
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=NN1CC(F)F	REAL300012044619	0	45	0.0	-44.19	355.80	9.27	-34.92
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012044620	0	47	0.0	-41.64	372.98	10.27	-31.37
CCCN1N=C(C)C(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044621	0	48	0.0	-45.72	394.85	10.39	-35.33
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044622	0	51	0.0	-30.67	404.26	12.10	-18.57
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044623	0	46	0.0	-37.87	369.44	9.26	-28.61
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012044624	0	52	0.0	-46.66	415.24	14.57	-32.09
CCCCC(=O)NC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044625	0	55	0.0	-37.88	424.48	11.28	-26.60
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=N1	REAL300012044626	0	45	0.0	-47.68	354.50	7.40	-40.28
CCN(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C(C)=C1	REAL300012044627	0	53	0.0	-43.40	400.92	12.09	-31.31
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012044628	0	38	0.0	-37.39	333.40	9.23	-28.16
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012044629	0	36	0.0	-43.98	333.90	10.16	-33.82
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044630	0	60	0.0	-42.62	439.01	12.16	-30.46
COC1=CC(C)=CC(OC)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044631	0	50	0.0	-40.54	390.17	9.50	-31.04
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012044632	0	42	0.0	-48.24	340.83	10.93	-37.31
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012044633	0	43	0.0	-40.89	365.68	10.26	-30.63
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012044634	0	49	0.0	-52.01	401.03	12.93	-39.08
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CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012044637	0	61	0.0	-47.13	471.72	15.02	-32.11
CC1=NSC(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044638	0	41	0.0	-34.48	332.08	8.91	-25.57
CC(C)(C)C1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=NO1	REAL300012044639	0	47	0.0	-44.70	340.89	9.54	-35.16
CC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=C1C(F)(F)F	REAL300012044640	0	45	0.0	-31.91	348.20	11.40	-20.51
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CCC(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012044642	0	51	0.0	-44.76	391.12	12.70	-32.06
O=C([O-])C[C@@H](CC1=CC=CC=C1)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012044643	0	41	0.0	-40.81	349.42	9.30	-31.51
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CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044646	0	52	0.0	-44.67	401.98	12.39	-32.28
CC(F)(F)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300012044647	0	44	0.0	-42.68	353.02	9.88	-32.80
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CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044651	0	46	0.0	-38.68	362.02	11.79	-26.89
COC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=CC(Br)=C1F	REAL300012044652	0	43	0.0	-32.95	357.12	10.18	-22.77
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CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2=CC=CC=C2)C=CC2=CC=CC=C21	REAL300012044655	0	48	0.0	-45.50	370.00	12.80	-32.70
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044656	0	57	0.0	-35.94	434.77	11.71	-24.23
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COC1=C2C=CNC2=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1=CC=CC=C1	REAL300012044658	0	47	0.0	-32.56	362.67	9.50	-23.06
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CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012044762	0	52	0.0	-79.08	433.68	12.43	-66.65
CC1=CC=C(C2=NC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CS2)C=C1	REAL300012044763	1	48	0.0	-77.66	411.06	11.86	-65.80
CC(C)C1=NC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CS1	REAL300012044764	1	44	0.0	-75.27	372.57	9.44	-65.83
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C=C1	REAL300012044765	0	53	0.0	-81.62	439.80	13.85	-67.77
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)C=C1	REAL300012044766	1	49	0.0	-79.35	421.24	10.72	-68.63
CC1=CC=C(OCC2=NC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CS2)C=C1	REAL300012044767	1	52	0.0	-79.32	442.64	11.38	-67.94
CC(C)(C)C1=NC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CS1	REAL300012044768	1	47	0.0	-75.02	391.51	9.95	-65.07
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CSC(C3=CSC=C3)=N2)C=C1	REAL300012044769	1	42	0.0	-77.59	380.69	10.13	-67.46
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C=C1	REAL300012044770	0	46	0.0	-81.30	399.07	13.25	-68.05
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044771	0	53	0.0	-74.62	430.80	11.28	-63.34
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CC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)S2)C=C1	REAL300012044773	0	49	0.0	-79.31	414.05	13.85	-65.46
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C=C1	REAL300012044774	0	45	0.0	-89.96	390.91	10.71	-79.25
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044775	0	43	0.0	-80.66	387.05	10.84	-69.82
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(Br)=CC=C2Cl)C=C1	REAL300012044776	0	39	0.0	-75.80	358.81	11.46	-64.34
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2Br)C=C1	REAL300012044777	0	39	0.0	-75.23	357.82	11.46	-63.77
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CCOC1=C(OC)C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OC	REAL300012044779	0	54	0.0	-89.52	438.57	10.46	-79.06
COCCCOC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012044780	0	53	0.0	-80.58	431.34	10.50	-70.08
CC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CN=C1Cl	REAL300012044781	0	41	0.0	-87.87	355.31	9.63	-78.24
COC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012044782	0	47	0.0	-79.59	392.17	9.32	-70.27
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(Cl)C=CC=C2OC(F)F)C=C1	REAL300012044783	1	43	0.0	-73.37	376.77	10.44	-62.93
CC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1OC1=CC=CN=C1	REAL300012044784	0	52	0.0	-83.57	430.11	12.27	-71.30
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC=C2OCC(=O)NCC2CC2)C=C1	REAL300012044785	0	57	0.0	-74.31	466.43	11.69	-62.62
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)S2)C=C1	REAL300012044786	0	48	0.0	-81.58	411.23	12.10	-69.48
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C=C1	REAL300012044787	0	44	0.0	-74.41	381.28	11.44	-62.97
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)C=C1	REAL300012044788	0	44	0.0	-77.98	370.20	10.98	-67.00
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)C=C1	REAL300012044789	0	44	0.0	-75.57	370.98	11.00	-64.57
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C=C1	REAL300012044790	0	44	0.0	-77.10	379.04	11.36	-65.74
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)C=C1	REAL300012044791	0	46	0.0	-81.35	399.54	12.45	-68.90
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)O1	REAL300012044792	0	49	0.0	-82.13	412.00	13.04	-69.09
CCC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)O2)C=C1	REAL300012044793	0	52	0.0	-80.19	427.94	13.73	-66.46
COC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(OC(F)F)=C1	REAL300012044794	0	47	0.0	-82.68	392.17	9.33	-73.35
COC1=CC=C2OC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CC2=C1	REAL300012044795	0	46	0.0	-83.88	382.16	10.21	-73.67
O=C([O-])CCC1=CC=C(C[NH2+]CC=CC2=CC=C(Cl)C=C2)C=C1	REAL300012044796	0	43	0.0	-81.89	372.58	12.22	-69.67
CC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C2=CC=CC=C2O1	REAL300012044797	0	45	0.0	-82.34	373.08	11.53	-70.81
O=C([O-])CCC1=CC=C(C[NH2+]CC2=COC3=CC=CC=C23)C=C1	REAL300012044798	0	42	0.0	-82.20	352.72	10.78	-71.42
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C=C1	REAL300012044799	0	47	0.0	-84.20	391.57	12.16	-72.04
CC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1Br	REAL300012044800	0	42	0.0	-80.87	364.30	11.58	-69.29
O=C([O-])CCC1=CC=C(C[NH2+]CC=CC2=CC=C(F)C=C2F)C=C1	REAL300012044801	0	43	0.0	-83.37	367.77	11.80	-71.57
CC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1Br	REAL300012044802	0	42	0.0	-82.61	364.31	11.59	-71.02
O=C([O-])CCC1=CC=C(C[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C=C1	REAL300012044803	1	46	0.0	-79.21	383.70	11.52	-67.69
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(Cl)SC=C2)C=C1	REAL300012044804	0	36	0.0	-74.55	328.97	9.95	-64.60
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(Cl)=CC3=C2OCC3)C=C1	REAL300012044805	0	44	0.0	-76.07	377.30	10.75	-65.32
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=C(F)C=CC=C3N2)C=C1	REAL300012044806	0	43	0.0	-86.17	363.20	10.42	-75.75
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=CC=C(F)C=C3N2)C=C1	REAL300012044807	0	43	0.0	-87.03	363.10	10.41	-76.62
CCOC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300012044808	0	45	0.0	-79.61	373.83	8.00	-71.61
CC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC2=CC=CN=C12	REAL300012044809	0	47	0.0	-86.50	386.05	11.60	-74.90
CC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300012044810	0	42	0.0	-82.55	360.28	11.50	-71.05
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN=C3C=CSC3=C2)C=C1	REAL300012044811	0	41	0.0	-86.30	356.68	9.88	-76.42
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)O2)C=C1	REAL300012044812	0	58	0.0	-80.04	461.16	14.61	-65.43
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044813	0	59	0.0	-76.84	460.48	13.56	-63.28
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044814	0	59	0.0	-76.71	467.24	13.53	-63.18
CCCC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012044815	0	48	0.0	-77.68	389.19	12.61	-65.07
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012044816	0	57	0.0	-82.01	459.62	15.17	-66.84
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300012044817	0	53	0.0	-83.93	425.28	11.57	-72.36
COC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C(SC)C=C1OC	REAL300012044818	0	51	0.0	-78.46	419.17	10.54	-67.92
COC1=CC=C2N=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)SC2=C1	REAL300012044819	0	45	0.0	-81.31	386.46	9.21	-72.10
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044820	0	45	0.0	-86.69	388.80	11.28	-75.41
COC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1C#N	REAL300012044821	0	44	0.0	-92.72	374.52	10.11	-82.61
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(SC(F)F)C=C2)C=C1	REAL300012044822	0	43	0.0	-82.68	374.63	11.67	-71.01
CC1=CC(Cl)=CC(C)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044823	0	45	0.0	-81.49	374.70	11.97	-69.52
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C=C1	REAL300012044824	0	43	0.0	-87.44	370.29	10.05	-77.39
CCOC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)N=C1	REAL300012044825	0	45	0.0	-78.60	371.22	8.77	-69.83
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044826	0	45	0.0	-84.70	378.67	12.06	-72.64
COC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC(Cl)=C1OC	REAL300012044827	0	47	0.0	-88.40	403.51	10.23	-78.17
COC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OCC(C)C	REAL300012044828	0	56	0.0	-84.67	447.02	12.00	-72.67
CCCOC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1OC	REAL300012044829	0	53	0.0	-84.95	426.91	11.32	-73.63
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(Br)S2)C=C1	REAL300012044830	0	36	0.0	-80.75	336.71	10.23	-70.52
CCOC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC(Cl)=C1OC	REAL300012044831	0	50	0.0	-88.44	425.37	11.15	-77.29
C=CCOC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012044832	0	47	0.0	-79.21	389.07	11.21	-68.00
COC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1OC(C)C	REAL300012044833	0	53	0.0	-76.12	416.56	11.63	-64.49
CCOC1=C(Cl)C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OC	REAL300012044834	0	50	0.0	-88.29	425.37	11.19	-77.10
CCCOC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=CC=C1OCC	REAL300012044835	0	56	0.0	-76.99	449.66	12.42	-64.57
CCCCOC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1OC	REAL300012044836	0	56	0.0	-85.06	448.41	12.10	-72.96
COC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OC(F)F	REAL300012044837	0	47	0.0	-82.45	393.32	9.89	-72.56
CCOC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1OC(F)F	REAL300012044838	0	50	0.0	-86.66	415.17	10.80	-75.86
CC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC(C)=C1OC(F)F	REAL300012044839	0	49	0.0	-83.23	403.34	11.45	-71.78
CCOC1=CC2=C(C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1)OC(C)C2	REAL300012044840	0	54	0.0	-74.58	431.79	11.29	-63.29
COC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC2=C1OCCO2	REAL300012044841	0	49	0.0	-87.04	398.50	9.42	-77.62
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C=C1	REAL300012044842	0	48	0.0	-86.26	419.29	11.83	-74.43
CCCCN1N=C(C)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1Cl	REAL300012044843	1	51	0.0	-77.74	427.77	11.45	-66.29
CCOC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1OC(F)F	REAL300012044844	0	50	0.0	-78.43	413.76	10.99	-67.44
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC=C2OCC(=O)N2CCCC2)C=C1	REAL300012044845	0	57	0.0	-74.23	459.04	12.57	-61.66
CC1=CC(C)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1C	REAL300012044846	0	48	0.0	-76.64	378.06	12.22	-64.42
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C=C1	REAL300012044847	0	46	0.0	-79.35	392.66	13.18	-66.17
CCCOC1=C(Cl)C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OC	REAL300012044848	0	53	0.0	-88.21	446.87	11.99	-76.22
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)C=C1	REAL300012044849	0	46	0.0	-83.18	399.76	12.47	-70.71
CC(C)(C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300012044850	0	48	0.0	-77.80	372.88	12.11	-65.69
CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2CCCCC2)=N1	REAL300012044851	0	55	0.0	-83.21	431.64	11.94	-71.27
CC(CCC1=CC=CC=C1)C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044852	0	51	0.0	-76.81	403.83	13.29	-63.52
CCC1CCCC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300012044853	0	51	0.0	-75.97	384.89	12.00	-63.97
CC1(C)CCC2=C(C1)SC(C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1)=N2	REAL300012044854	1	51	0.0	-76.22	409.09	11.06	-65.16
CCC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044855	0	45	0.0	-72.60	374.74	12.06	-60.54
CC1=C(C)C=C2OC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CC2=C1	REAL300012044856	0	48	0.0	-81.58	390.99	12.13	-69.45
CCCC1CCC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300012044857	0	54	0.0	-75.78	406.38	12.76	-63.02
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)C=C1	REAL300012044858	0	46	0.0	-83.96	397.79	10.80	-73.16
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C=C1	REAL300012044859	0	46	0.0	-88.56	380.77	12.78	-75.78
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C=C1	REAL300012044860	0	46	0.0	-80.57	393.48	12.41	-68.16
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(Cl)=C3OCCOC3=C2)C=C1	REAL300012044861	0	45	0.0	-85.64	385.28	10.10	-75.54
CCCCC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C2=CC=CC=C2O1	REAL300012044862	0	54	0.0	-82.11	432.92	13.91	-68.20
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CC(C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012044889	0	60	0.0	-77.65	457.73	14.78	-62.87
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CC1=CC=C(C2=CC=CC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=C2)C=C1	REAL300012044896	0	52	0.0	-81.39	420.42	14.48	-66.91
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O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C=C1	REAL300012044930	0	48	0.0	-85.26	394.23	12.05	-73.21
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044931	0	54	0.0	-80.59	418.80	10.95	-69.64
CN1CCN(C2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)C=C2)CC1	REAL300012044932	1	56	0.0	-79.22	434.03	9.11	-70.11
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C=C1	REAL300012044933	0	48	0.0	-86.21	406.14	8.89	-77.32
CNC(=O)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012044934	0	46	0.0	-90.54	381.28	8.68	-81.86
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CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044936	0	52	0.0	-85.22	436.88	12.99	-72.23
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CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044938	0	52	0.0	-88.12	435.79	12.74	-75.38
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C=C1	REAL300012044939	0	46	0.0	-84.21	395.74	11.09	-73.12
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3C=C2)C=C1	REAL300012044940	0	45	0.0	-81.27	370.92	12.66	-68.61
COC1=C2OC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CC2=CC=C1	REAL300012044941	0	46	0.0	-83.57	382.19	10.22	-73.35
CC(C)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300012044942	0	50	0.0	-92.10	409.89	12.90	-79.20
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CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044944	0	55	0.0	-82.61	443.62	12.87	-69.74
CCOC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1OCC(C)C	REAL300012044945	0	59	0.0	-84.35	468.87	12.92	-71.43
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COC1=CC2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)C=C2C=C1	REAL300012044949	0	49	0.0	-84.58	400.27	11.95	-72.63
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CCCCOC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OCC	REAL300012044952	0	59	0.0	-84.85	470.26	13.02	-71.83
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044953	0	52	0.0	-84.60	420.15	12.47	-72.13
COC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1OC(F)F	REAL300012044954	0	47	0.0	-77.68	391.79	9.97	-67.71
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(CSC(F)F)O2)C=C1	REAL300012044955	0	43	0.0	-81.26	385.34	10.98	-70.28
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3NC2=O)C=C1	REAL300012044956	0	45	0.0	-79.32	375.17	9.45	-69.87
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CC1=CC=C(COC2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)C=C2)C=C1	REAL300012044959	0	56	0.0	-82.08	457.48	14.36	-67.72
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(N3CCCCC3)C=C2)C=C1	REAL300012044960	0	54	0.0	-78.36	417.75	11.68	-66.68
CCCCCCOC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012044961	0	58	0.0	-78.78	462.16	13.77	-65.01
COC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1SC	REAL300012044962	0	47	0.0	-85.23	393.72	10.75	-74.48
N#CCCCOC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012044963	0	50	0.0	-85.66	418.52	11.94	-73.72
CCCCCOC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1OC	REAL300012044964	0	59	0.0	-85.01	469.91	12.88	-72.13
CCC(C)OC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1OC	REAL300012044965	0	56	0.0	-84.93	444.08	11.93	-73.00
CCCCCCCOC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012044966	0	61	0.0	-78.76	483.66	14.55	-64.21
COC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OCCCC#N	REAL300012044967	0	54	0.0	-96.00	447.76	11.84	-84.16
C=C(C)COC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1OC	REAL300012044968	0	54	0.0	-86.04	437.73	11.87	-74.17
COC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OCCC(C)C	REAL300012044969	0	59	0.0	-85.04	465.98	12.62	-72.42
C=CCC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC(OC)=C1O	REAL300012044970	0	51	0.0	-85.40	419.68	9.55	-75.85
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C=C1	REAL300012044971	0	46	0.0	-88.16	384.21	10.33	-77.83
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044972	0	48	0.0	-84.13	403.01	11.36	-72.77
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044973	0	49	0.0	-81.03	422.22	8.92	-72.11
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C=C1	REAL300012044974	1	45	0.0	-84.94	377.71	10.23	-74.71
O=C([O-])CCC1=CC=C(C[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C=C1	REAL300012044975	1	45	0.0	-79.84	387.96	11.17	-68.67
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)C=C1	REAL300012044976	0	52	0.0	-85.07	412.00	9.22	-75.85
CN1C=NC2=CC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300012044977	0	45	0.0	-83.86	373.20	11.75	-72.11
CCN1N=C(C)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300012044978	0	48	0.0	-81.36	388.51	10.04	-71.32
C=CCOC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300012044979	0	47	0.0	-84.51	405.10	11.76	-72.75
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C=C1	REAL300012044980	0	45	0.0	-81.63	389.84	11.42	-70.21
COC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C2OC(C)CC2=C1	REAL300012044981	0	51	0.0	-76.44	411.24	10.28	-66.16
CC1(C)CC2=CC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CC=C2O1	REAL300012044982	0	50	0.0	-82.64	402.22	11.65	-70.99
O=C([O-])CCC1=CC=C(C[NH2+]CC2=COC(C3=CC=CC=C3)=N2)C=C1	REAL300012044983	1	45	0.0	-80.39	381.47	8.84	-71.55
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CSC(C3=CC=CS3)=N2)C=C1	REAL300012044984	1	42	0.0	-77.91	381.28	10.22	-67.69
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012044985	0	49	0.0	-81.32	402.23	10.93	-70.39
CC1=CC=C(F)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012044986	0	42	0.0	-75.02	350.73	11.12	-63.90
CC1=CC=C(F)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044987	0	42	0.0	-80.88	346.04	11.10	-69.78
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)C=C1	REAL300012044988	0	42	0.0	-86.75	380.26	11.89	-74.86
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(Br)C=C2Cl)C=C1	REAL300012044989	0	39	0.0	-78.53	358.81	11.46	-67.07
CC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(Br)=C1	REAL300012044990	0	42	0.0	-73.40	362.51	11.62	-61.78
CC(C)COC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012044991	0	52	0.0	-80.27	417.76	12.12	-68.15
COCCOC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012044992	0	50	0.0	-82.64	409.79	9.90	-72.74
CC1(C)CCCC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300012044993	0	51	0.0	-76.41	379.79	11.63	-64.78
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C=C1	REAL300012044994	0	43	0.0	-85.65	380.09	10.52	-75.13
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)C=C1	REAL300012044995	1	47	0.0	-86.07	417.85	11.86	-74.21
CN1N=C(C2=CC=CC=C2)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1Cl	REAL300012044996	0	49	0.0	-76.05	419.58	11.89	-64.16
CC1=CCCC(C)C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012044997	0	49	0.0	-74.20	368.55	11.70	-62.50
COC1=CC2=C(C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1)OCO2	REAL300012044998	0	46	0.0	-79.69	378.97	8.42	-71.27
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN=CC3=CC=CC=C32)C=C1	REAL300012044999	0	44	0.0	-81.80	361.23	10.77	-71.03
CC(C)COC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045000	0	52	0.0	-78.66	417.77	12.12	-66.54
CC1=CC(Cl)=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045001	0	42	0.0	-81.63	356.33	11.55	-70.08
O=C([O-])CCC1=CC=C(C[NH2+]CC=CC2=CC=C(F)C=C2)C=C1	REAL300012045002	0	43	0.0	-82.86	362.26	11.77	-71.09
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(Cl)N=C2)C=C1	REAL300012045003	0	38	0.0	-87.93	336.52	9.04	-78.89
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN=CC(Br)=C2)C=C1	REAL300012045004	0	38	0.0	-84.92	340.98	9.22	-75.70
CN1N=NC2=CC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300012045005	0	44	0.0	-91.53	368.80	8.85	-82.68
CC1(C)CC2=CC=CC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=C2O1	REAL300012045006	0	50	0.0	-73.24	402.02	11.62	-61.62
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(Br)=CC3=C2OCC3)C=C1	REAL300012045007	0	44	0.0	-75.98	381.86	10.86	-65.12
COC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300012045008	0	42	0.0	-79.67	351.98	7.06	-72.61
CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2=CC=CC=C2)=N1	REAL300012045009	0	49	0.0	-81.13	404.10	11.56	-69.57
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C=C1	REAL300012045010	0	46	0.0	-81.72	383.16	11.59	-70.13
CC(C)N1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300012045011	0	45	0.0	-80.59	367.83	9.59	-71.00
CC1=C(Br)SC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045012	0	39	0.0	-80.84	356.31	10.84	-70.00
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(Br)C3=CC=CN=C23)C=C1	REAL300012045013	0	44	0.0	-77.38	383.09	11.45	-65.93
CC1=NC2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)C=C2C=C1	REAL300012045014	0	47	0.0	-87.32	387.51	11.37	-75.95
COC1=CC=C(OC2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)C=C2)C=C1	REAL300012045015	0	54	0.0	-86.17	443.02	12.54	-73.63
O=C([O-])CCC1=CC=C(C[NH2+]CC2=NC=CC=C2C(F)(F)F)C=C1	REAL300012045016	0	41	0.0	-70.70	348.67	9.47	-61.23
CC1=CC(C2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)C=C2)=CC(C)=C1	REAL300012045017	0	55	0.0	-81.28	441.83	15.14	-66.14
CC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1N1C=NC=N1	REAL300012045018	0	48	0.0	-89.59	393.76	13.85	-75.74
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=CC(F)=CC=C3O2)C=C1	REAL300012045019	0	42	0.0	-84.66	359.10	10.99	-73.67
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(OCC(F)F)C=C2)C=C1	REAL300012045020	0	46	0.0	-85.58	389.18	10.94	-74.64
COCC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045021	0	46	0.0	-79.66	379.87	10.12	-69.54
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045022	0	49	0.0	-86.46	420.76	12.67	-73.79
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C=C1	REAL300012045023	0	53	0.0	-81.15	442.49	13.75	-67.40
CCCCOC1=CC=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045024	0	52	0.0	-72.80	417.74	12.28	-60.52
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C=C1	REAL300012045025	0	50	0.0	-84.85	425.41	14.50	-70.35
CC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C(OC(F)F)C=C1C	REAL300012045026	0	49	0.0	-78.67	401.09	11.25	-67.42
COC1=CC(C)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OC	REAL300012045027	0	50	0.0	-83.94	398.30	10.23	-73.71
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045028	0	45	0.0	-87.44	388.02	11.26	-76.18
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045030	1	48	0.0	-85.10	408.53	9.89	-75.21
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CNN=C2C2=CSC=C2)C=C1	REAL300012045031	0	43	0.0	-81.29	371.72	9.27	-72.02
CSC1=CC(Br)=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045032	0	43	0.0	-76.59	381.82	11.94	-64.65
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)C=C1	REAL300012045033	0	49	0.0	-84.92	415.47	12.14	-72.78
CC1CCC2=C(C1)SC(C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1)=N2	REAL300012045034	1	48	0.0	-76.39	394.12	10.76	-65.63
CC(C)(C)C1CCC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300012045035	0	57	0.0	-76.50	407.60	12.49	-64.01
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045036	0	53	0.0	-76.12	427.08	13.19	-62.93
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045037	0	53	0.0	-76.50	427.06	13.17	-63.33
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045038	0	52	0.0	-80.33	422.25	11.42	-68.91
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(OCC3CC3)C=C2)C=C1	REAL300012045039	0	50	0.0	-80.88	407.84	12.21	-68.67
COC1=CC(Cl)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300012045040	0	43	0.0	-78.11	382.19	10.73	-67.38
CC(C)CC1=NC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)S1	REAL300012045041	0	47	0.0	-79.25	392.65	10.58	-68.67
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CS3)S2)C=C1	REAL300012045042	0	42	0.0	-81.66	381.71	10.49	-71.17
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN=C(C3=CSC=C3)S2)C=C1	REAL300012045043	0	42	0.0	-81.51	380.97	10.37	-71.14
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)S2)O1	REAL300012045044	0	45	0.0	-83.78	394.52	10.32	-73.46
CC1=CC(Br)=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045045	0	42	0.0	-81.82	360.89	11.66	-70.16
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(Cl)C(Br)=C2)C=C1	REAL300012045046	0	39	0.0	-86.00	360.94	11.47	-74.53
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=CC=C2F)C=C1	REAL300012045047	0	46	0.0	-85.28	387.63	10.35	-74.93
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)C=C1	REAL300012045048	0	48	0.0	-82.36	399.77	12.08	-70.28
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(Cl)OC3=CC=CC=C32)C=C1	REAL300012045049	0	42	0.0	-79.17	368.93	11.36	-67.81
COCCOC1=CC=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045050	0	50	0.0	-72.83	408.37	9.97	-62.86
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(Cl)C=C2Br)C=C1	REAL300012045051	0	39	0.0	-77.78	357.83	11.46	-66.32
COC1=C(Br)C=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045052	0	43	0.0	-79.17	374.79	10.45	-68.72
O=C([O-])CCC1=CC=C(C[NH2+]CC2=NC3=C(CCC3)S2)C=C1	REAL300012045053	1	42	0.0	-77.33	355.44	9.57	-67.76
CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2=CC=CS2)=N1	REAL300012045054	0	46	0.0	-78.15	391.51	10.84	-67.31
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OC2CCCC2)C=C1	REAL300012045055	0	53	0.0	-75.25	434.74	13.18	-62.07
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(Cl)C=CC=C2OC2=CC=CC=C2)C=C1	REAL300012045056	0	50	0.0	-68.30	425.75	13.61	-54.69
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045057	0	58	0.0	-83.33	450.94	14.02	-69.31
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)C=C1	REAL300012045058	0	46	0.0	-82.34	391.46	12.35	-69.99
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)S1	REAL300012045059	0	47	0.0	-79.19	391.65	10.19	-69.00
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C3OCCOC3=C2)C=C1	REAL300012045060	0	45	0.0	-83.03	369.32	9.56	-73.47
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(Br)=C2)C=C1	REAL300012045061	0	39	0.0	-81.09	346.10	11.01	-70.08
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(Cl)=C2)C=C1	REAL300012045062	0	39	0.0	-81.08	341.54	10.91	-70.17
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2)C=C1	REAL300012045063	0	46	0.0	-84.79	383.63	11.61	-73.18
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN(CC3=CC=CC=C3Cl)N=C2)C=C1	REAL300012045064	0	49	0.0	-79.58	423.47	12.48	-67.10
CC(C)(C)N1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300012045065	0	48	0.0	-80.15	387.57	10.22	-69.93
CC(=O)NC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045066	0	46	0.0	-84.63	381.16	9.29	-75.34
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC=C2Cl)C=C1	REAL300012045067	0	39	0.0	-73.58	336.68	10.88	-62.70
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300012045068	0	41	0.0	-92.78	353.02	11.07	-81.71
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300012045069	0	41	0.0	-95.74	353.02	11.07	-84.67
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC3=CC=CC=C32)C=C1	REAL300012045070	0	45	0.0	-80.38	365.80	12.54	-67.84
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CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2=CC=C(F)C=C2)=N1	REAL300012045240	0	49	0.0	-84.31	410.53	11.64	-72.67
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CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)N1	REAL300012045242	0	47	0.0	-94.25	382.12	8.58	-85.67
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CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300012045244	0	53	0.0	-86.95	433.18	12.83	-74.12
CCC1=NN(C)C(CC)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045245	0	51	0.0	-81.73	409.68	10.62	-71.11
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CN1C=C(C2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)S2)C=N1	REAL300012045250	0	46	0.0	-82.39	398.76	11.08	-71.31
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COC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045256	0	50	0.0	-82.46	410.38	10.78	-71.68
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)C=C1	REAL300012045257	1	43	0.0	-72.14	374.78	10.28	-61.86
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CC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2=CC=NN2C)=C1	REAL300012045260	0	52	0.0	-76.43	420.42	11.96	-64.47
CC(C)C1=CN=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)S1	REAL300012045261	1	44	0.0	-76.26	373.37	9.75	-66.51
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CC(C)(C)C1=CN=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)S1	REAL300012045264	1	47	0.0	-76.10	391.14	10.19	-65.91
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COC(=O)C1=C(C)N(C)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045268	0	49	0.0	-89.38	402.86	10.91	-78.47
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CCN1N=C(C)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300012045275	1	44	0.0	-80.85	363.97	7.99	-72.86
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CC(C)CN1N=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045282	0	48	0.0	-84.09	382.45	10.48	-73.61
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(Br)=CN=C2Cl)C=C1	REAL300012045283	1	38	0.0	-80.20	353.06	9.64	-70.56
COC(=O)C1=C(C)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CN1	REAL300012045284	0	46	0.0	-85.61	382.38	9.42	-76.19
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)S2)C=C1C	REAL300012045285	0	51	0.0	-81.66	428.20	12.63	-69.03
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045286	0	49	0.0	-89.34	407.68	12.36	-76.98
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045287	0	49	0.0	-86.65	415.40	12.90	-73.75
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045288	0	52	0.0	-85.08	425.45	12.82	-72.26
CC(C)(C#N)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045289	0	49	0.0	-83.90	401.43	12.35	-71.55
CC(C)C1=CC=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045290	0	48	0.0	-76.85	378.63	12.19	-64.66
O=C([O-])CCC1=CC=C(C[NH2+]CC2=NN3CCCCC3=C2)C=C1	REAL300012045291	1	46	0.0	-75.76	369.40	9.73	-66.03
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN=NN2C2=CC=CC=C2)C=C1	REAL300012045292	0	45	0.0	-87.97	375.13	10.04	-77.93
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=CN=CC=C3O2)C=C1	REAL300012045293	0	41	0.0	-85.76	347.42	9.19	-76.57
COC1=CC(OC)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300012045294	0	47	0.0	-80.04	388.57	9.14	-70.90
COC1=CC(F)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OC	REAL300012045295	0	47	0.0	-81.18	388.06	9.65	-71.53
CC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(Cl)=C1	REAL300012045296	0	42	0.0	-73.94	358.93	11.51	-62.43
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045297	0	52	0.0	-85.21	424.75	12.87	-72.34
COC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(F)=C1	REAL300012045298	0	43	0.0	-78.80	359.86	9.72	-69.08
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC3=C2CCC3)C=C1	REAL300012045299	0	46	0.0	-78.04	369.12	12.23	-65.81
COC1=CC=CC(F)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045300	1	43	0.0	-69.99	358.29	9.78	-60.21
CCCOC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1	REAL300012045301	0	52	0.0	-79.95	412.43	12.07	-67.88
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=CC=NC=C3S2)C=C1	REAL300012045302	0	41	0.0	-84.92	356.93	10.15	-74.77
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=CC(Br)=CC=C3O2)C=C1	REAL300012045303	0	42	0.0	-83.80	373.98	11.54	-72.26
CCC1=C2OC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CC2=CC=C1	REAL300012045304	0	48	0.0	-81.55	395.59	12.36	-69.19
C=CCCN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)N=N1	REAL300012045305	1	45	0.0	-82.75	377.34	9.06	-73.69
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=NN2CC2CC2)C=C1	REAL300012045306	0	46	0.0	-83.14	374.25	10.46	-72.68
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(OC3CC3)=C2F)C=C1	REAL300012045307	0	47	0.0	-78.95	390.73	11.41	-67.54
CCOC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1	REAL300012045308	0	49	0.0	-80.13	390.98	11.26	-68.87
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(F)=C2OC(F)F)C=C1	REAL300012045309	0	43	0.0	-80.91	369.15	10.12	-70.79
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(F)=CC=C2OC(F)F)C=C1	REAL300012045310	0	43	0.0	-81.95	369.10	10.10	-71.85
COC1=NC=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045311	0	42	0.0	-77.08	350.59	7.17	-69.91
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(C3CCCC3)=C2)C=C1	REAL300012045312	0	52	0.0	-77.69	409.03	13.61	-64.08
CN1C=C(C2=NN(C)C=C2C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300012045313	0	49	0.0	-80.90	408.06	9.41	-71.49
COCC1=CSC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045314	0	43	0.0	-78.02	370.33	9.23	-68.79
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN(C3CCC3)N=N2)C=C1	REAL300012045315	1	45	0.0	-82.43	366.99	8.87	-73.56
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)C=C1	REAL300012045316	0	45	0.0	-81.97	406.56	11.94	-70.03
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CSC(C(F)(F)F)=C2)C=C1	REAL300012045317	0	39	0.0	-84.93	355.43	10.54	-74.39
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)O2)C=C1	REAL300012045318	0	39	0.0	-84.41	346.73	9.77	-74.64
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(C(F)(F)F)SC=C2)C=C1	REAL300012045319	0	39	0.0	-75.13	346.21	10.54	-64.59
CN(C)C1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=CC(F)=C1F	REAL300012045320	0	47	0.0	-84.11	384.46	10.47	-73.64
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(F)C=CC(F)=C2Cl)C=C1	REAL300012045321	1	39	0.0	-73.57	350.02	10.88	-62.69
CC(C)OC1=CC(Cl)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300012045322	0	49	0.0	-77.78	421.96	12.28	-65.50
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(OC3CCOC3)C=C2)C=C1	REAL300012045323	0	51	0.0	-82.91	410.14	10.05	-72.86
CN(C)C1=CC(F)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300012045324	0	47	0.0	-80.52	390.22	9.99	-70.53
COC(=O)C1=C2CCCCN2C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045325	0	53	0.0	-90.09	426.50	12.14	-77.95
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(F)C(F)=C2F)C=C1	REAL300012045326	0	39	0.0	-87.31	341.94	10.57	-76.74
COC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC(C(F)(F)F)=C1	REAL300012045327	0	46	0.0	-84.54	393.03	10.69	-73.85
C=CCOC1=C(Cl)C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OC	REAL300012045328	0	51	0.0	-88.64	438.27	11.76	-76.88
COC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OC1CC1	REAL300012045329	0	51	0.0	-86.75	414.59	11.27	-75.48
CCCN1N=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045330	0	45	0.0	-83.94	364.01	9.69	-74.25
CN1N=C(C(F)(F)F)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045331	0	42	0.0	-92.34	366.80	8.95	-83.39
COCC(C)OC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045332	0	53	0.0	-82.70	426.39	10.60	-72.10
CCCC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)S1	REAL300012045333	0	45	0.0	-75.93	379.90	11.86	-64.07
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C=C1	REAL300012045334	0	46	0.0	-81.72	392.17	13.02	-68.70
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=NN2CCC2=CC=CC=C2)C=C1	REAL300012045335	0	52	0.0	-88.35	423.93	12.71	-75.64
CC(C)C1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045336	0	48	0.0	-77.67	385.03	12.32	-65.35
CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(Cl)=N1	REAL300012045337	1	39	0.0	-80.56	344.22	8.62	-71.94
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)C=C1	REAL300012045338	0	46	0.0	-83.49	401.98	11.27	-72.22
COC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1C(C)(C)C	REAL300012045339	0	55	0.0	-80.05	425.48	12.38	-67.67
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(CC3CCC3)=C2)C=C1	REAL300012045340	0	52	0.0	-77.58	415.86	13.91	-63.67
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045341	1	47	0.0	-70.87	397.61	9.61	-61.26
CC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=NC=C1Br	REAL300012045342	0	41	0.0	-79.96	359.62	9.76	-70.20
CC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C(Br)C=C1F	REAL300012045343	0	42	0.0	-78.35	366.97	11.68	-66.67
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(O)C=CC=C2Br)C=C1	REAL300012045344	0	40	0.0	-73.24	352.58	8.10	-65.14
CN1C=C(C2=NC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CS2)C=N1	REAL300012045345	1	45	0.0	-80.67	394.32	8.98	-71.69
COC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1Cl	REAL300012045346	0	43	0.0	-86.26	370.34	10.25	-76.01
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=NN2CC2CCC2)C=C1	REAL300012045347	0	49	0.0	-85.54	395.32	10.94	-74.60
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)C=C1	REAL300012045348	1	45	0.0	-86.96	384.13	10.30	-76.66
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC=C2CC(F)(F)F)C=C1	REAL300012045349	0	45	0.0	-77.94	374.00	11.97	-65.97
CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(Br)=N1	REAL300012045350	1	39	0.0	-79.82	348.26	8.69	-71.13
CC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(F)=C1	REAL300012045351	0	42	0.0	-75.42	351.79	11.11	-64.31
CC(=O)NC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045352	0	46	0.0	-88.51	380.92	9.30	-79.21
CN1N=CC2=CC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CN=C21	REAL300012045353	0	44	0.0	-91.18	369.12	9.53	-81.65
O=C([O-])CCC1=CC=C(C[NH2+]CC2=NC=C(Br)C=C2F)C=C1	REAL300012045354	1	38	0.0	-75.70	346.46	9.19	-66.51
COC1=CC(Cl)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OC	REAL300012045355	0	47	0.0	-79.51	395.34	10.08	-69.43
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C=C1	REAL300012045356	0	45	0.0	-80.71	385.82	12.19	-68.52
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045357	0	59	0.0	-84.06	472.71	10.85	-73.21
CN1N=C2CCCCC2=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045358	0	49	0.0	-86.07	389.00	10.39	-75.68
CCOC(=O)C1=C(C)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C(C)N1	REAL300012045359	0	52	0.0	-84.24	425.14	10.80	-73.44
CC1=C(C)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CS1	REAL300012045360	0	42	0.0	-77.43	351.39	10.73	-66.70
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN=C(Cl)C(F)=C2)C=C1	REAL300012045361	0	38	0.0	-92.16	342.40	9.09	-83.07
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C=C1	REAL300012045362	0	49	0.0	-83.99	417.84	14.37	-69.62
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(Br)C(F)=C2F)C=C1	REAL300012045363	0	39	0.0	-85.80	356.25	11.11	-74.69
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(Br)SC=C2)C=C1	REAL300012045364	1	36	0.0	-74.19	332.76	10.06	-64.13
CCOC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C(F)C=C1OC	REAL300012045365	0	50	0.0	-81.16	409.92	10.56	-70.60
COC1=NC=C(Br)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045366	0	42	0.0	-78.41	371.88	7.78	-70.63
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)C=C1	REAL300012045367	0	45	0.0	-87.16	371.34	12.57	-74.59
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CN=C2Br)C=C1	REAL300012045368	1	38	0.0	-78.64	335.32	9.09	-69.55
COC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C(F)C=C1Br	REAL300012045369	0	43	0.0	-82.68	379.22	10.41	-72.27
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(Br)=C2Cl)C=C1	REAL300012045370	0	39	0.0	-78.35	356.93	11.40	-66.95
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)C=C1	REAL300012045371	0	43	0.0	-80.46	375.89	10.34	-70.12
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045372	0	49	0.0	-75.68	399.14	11.38	-64.30
CCOC1=CC(F)=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045373	0	46	0.0	-82.82	382.58	10.69	-72.13
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)C=C1	REAL300012045374	0	53	0.0	-91.86	420.81	11.41	-80.45
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C=C2F)C=C1	REAL300012045375	0	43	0.0	-79.73	369.62	10.00	-69.73
CC(C)(C)OC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045376	0	52	0.0	-78.22	405.21	11.53	-66.69
CC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045377	0	42	0.0	-81.16	354.31	11.39	-69.77
COC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C(F)C=C1C	REAL300012045378	0	46	0.0	-77.62	378.92	10.48	-67.14
CC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1Br	REAL300012045379	0	45	0.0	-80.52	375.90	12.12	-68.40
CC1=CC=NC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1Br	REAL300012045380	1	41	0.0	-70.66	356.45	9.65	-61.01
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045381	0	56	0.0	-83.35	446.89	10.64	-72.71
CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2=CC(F)=CC=C2F)=N1	REAL300012045382	0	49	0.0	-82.80	417.12	11.72	-71.08
CC(C)(C)C1=CSC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300012045383	1	47	0.0	-76.82	390.38	10.12	-66.70
COCCC1=NC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)S1	REAL300012045384	0	45	0.0	-82.09	386.67	8.19	-73.90
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(F)=CC(F)=C2O)C=C1	REAL300012045387	1	40	0.0	-84.35	347.08	7.75	-76.60
CN1N=C2CCSCC2=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045388	0	47	0.0	-88.89	388.37	10.04	-78.85
CCN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2=CC=CC=C2)=N1	REAL300012045389	0	52	0.0	-80.99	425.64	12.43	-68.56
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CC1=C2C=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)C=NC2=NN1	REAL300012045418	0	44	0.0	-94.91	367.87	8.92	-85.99
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CCCC(C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300012045433	0	51	0.0	-78.96	401.85	13.12	-65.84
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CN(C)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C(F)(F)F)=C1	REAL300012045436	0	50	0.0	-76.92	405.81	11.87	-65.05
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CC(C)C1CCC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300012045439	0	54	0.0	-75.87	394.70	12.21	-63.66
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CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045442	0	50	0.0	-81.75	411.45	11.80	-69.95
COCC1=CC=CC=C1C=C(C)C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045443	0	53	0.0	-82.21	423.33	12.00	-70.21
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045444	0	49	0.0	-76.61	399.40	11.30	-65.31
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CN1N=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1Cl	REAL300012045446	1	39	0.0	-77.79	343.44	8.53	-69.26
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COC1=CC=C(N2C=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)C=N2)C=C1	REAL300012045448	0	50	0.0	-86.60	413.13	10.91	-75.69
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045449	0	54	0.0	-77.95	445.05	13.76	-64.19
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CC(C)N1C=CN=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045457	1	45	0.0	-79.80	365.66	10.21	-69.59
CC1=C(Br)C=NC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045458	0	41	0.0	-84.88	354.06	9.70	-75.18
CN1N=CC(C(F)(F)F)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045459	0	42	0.0	-83.85	362.44	8.99	-74.86
CN1N=CC(C2CC2)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045460	0	46	0.0	-85.51	375.52	10.04	-75.47
CN1N=CC(C2CCC2)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045461	0	49	0.0	-86.17	391.90	10.55	-75.62
CC1=C2C=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)NC2=CC=C1	REAL300012045462	0	46	0.0	-83.81	377.65	10.98	-72.83
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CC1=CC=C2C=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)NC2=C1	REAL300012045464	0	46	0.0	-83.47	378.06	11.00	-72.47
CCOC1=CN=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045465	0	45	0.0	-83.30	371.10	8.80	-74.50
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CCC(F)(F)C(C)(C)C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045469	0	47	0.0	-74.42	364.31	10.78	-63.64
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O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C(F)F)N=C2)C=C1	REAL300012045472	0	41	0.0	-88.04	352.82	9.52	-78.52
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045473	0	48	0.0	-81.33	397.94	10.82	-70.51
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COC1=CN=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300012045475	0	45	0.0	-82.92	363.35	8.56	-74.36
CC1=CC(C)=C(C=CC[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1	REAL300012045476	0	52	0.0	-80.37	414.87	13.53	-66.84
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CC(C)(C)OC(=O)NC(C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1)CC(F)F	REAL300012045478	0	55	0.0	-89.51	431.39	9.21	-80.30
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CCCN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)N=N1	REAL300012045480	1	44	0.0	-82.95	364.53	8.51	-74.44
CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045481	0	47	0.0	-75.71	383.69	10.48	-65.23
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CC1=CC(C)=C(C=CC[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1C	REAL300012045483	0	52	0.0	-79.41	411.73	13.42	-65.99
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CC1=NN(C)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1Cl	REAL300012045487	1	42	0.0	-83.28	363.89	9.06	-74.22
CN1C=CC(C2=NC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CS2)=N1	REAL300012045488	1	45	0.0	-81.70	394.42	8.87	-72.83
CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2CCCC2)=N1	REAL300012045489	0	52	0.0	-83.01	413.13	11.32	-71.69
CC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1Br	REAL300012045490	0	42	0.0	-73.31	359.30	11.52	-61.79
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O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C3OCCCC3=C2)C=C1	REAL300012045492	0	47	0.0	-81.12	378.51	11.03	-70.09
CN(C)C(=O)C1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045493	0	49	0.0	-84.12	394.12	10.08	-74.04
CCC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(Cl)=NN1	REAL300012045494	1	42	0.0	-79.67	362.87	8.52	-71.15
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(C3CC3)NN=C2Cl)C=C1	REAL300012045495	1	43	0.0	-78.75	371.17	9.35	-69.40
CCC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=NO1	REAL300012045496	0	44	0.0	-84.59	360.52	10.01	-74.58
CC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C2CCCCC2=N1	REAL300012045497	0	51	0.0	-85.26	397.38	11.58	-73.68
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC=C2N2CCCCC2)C=C1	REAL300012045498	0	54	0.0	-73.48	418.76	12.44	-61.04
CCOC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)O1	REAL300012045499	0	43	0.0	-80.78	360.42	9.91	-70.87
CC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CN=C1F	REAL300012045501	0	41	0.0	-89.62	346.44	9.18	-80.44
CC1=CC(F)=NC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045502	0	41	0.0	-87.90	341.32	9.19	-78.71
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C(F)F)C(F)=C2)C=C1	REAL300012045503	0	42	0.0	-90.00	364.24	11.37	-78.63
COC(=O)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1C	REAL300012045504	0	48	0.0	-88.16	395.65	11.60	-76.56
COC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1	REAL300012045505	0	46	0.0	-80.27	369.13	10.33	-69.94
CC1=C(Cl)C=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1Cl	REAL300012045506	0	42	0.0	-78.10	370.31	11.86	-66.24
N#CC1=CC=C(Br)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045507	1	40	0.0	-81.34	361.02	11.37	-69.97
CC1CC2=CC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CC=C2O1	REAL300012045508	0	47	0.0	-82.56	381.69	10.98	-71.58
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC3=C2OC(=O)N3)C=C1	REAL300012045509	0	42	0.0	-84.79	356.56	7.89	-76.90
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC3=C2OCC3)C=C1	REAL300012045510	0	44	0.0	-74.05	360.55	10.23	-63.82
CSCC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045511	0	46	0.0	-79.67	390.93	12.29	-67.38
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN(CC3CCC3)N=C2)C=C1	REAL300012045512	0	49	0.0	-81.10	397.06	11.15	-69.95
CN1N=C2CCOCC2=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045513	0	47	0.0	-88.51	380.12	8.00	-80.51
CN1N=C2CCCC2=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045514	0	46	0.0	-85.64	370.70	9.85	-75.79
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=NN2C2CCC2)C=C1	REAL300012045515	0	46	0.0	-85.78	373.59	10.19	-75.59
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN(C3CCC3)N=C2)C=C1	REAL300012045516	0	46	0.0	-81.02	372.97	10.18	-70.84
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045517	0	52	0.0	-72.37	427.17	11.96	-60.41
COC(=O)COC1=CC=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045518	0	49	0.0	-73.86	409.25	11.36	-62.50
COC1=CC=C(C)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045519	0	46	0.0	-78.19	369.12	10.32	-67.87
CN1C=NC2=CC=CC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=C21	REAL300012045520	0	45	0.0	-87.21	363.21	11.66	-75.55
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045521	0	49	0.0	-91.19	395.63	10.24	-80.95
CC1=CC(F)=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045522	0	42	0.0	-82.37	352.63	11.13	-71.24
CC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1C	REAL300012045523	0	48	0.0	-76.64	374.36	12.13	-64.51
CCNC(=O)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045524	0	49	0.0	-90.14	402.77	9.52	-80.62
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045525	0	51	0.0	-72.40	379.13	12.75	-59.65
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN=C3CCCCCN23)C=C1	REAL300012045526	0	49	0.0	-83.56	380.87	10.80	-72.76
COC1=CC=C2SC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CC2=C1	REAL300012045527	0	46	0.0	-81.54	391.75	11.23	-70.31
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CON=C2C2CC2)C=C1	REAL300012045528	0	42	0.0	-86.12	352.88	10.01	-76.11
CCN(CC)C(=O)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045529	0	55	0.0	-90.54	437.07	12.17	-78.37
CCN1CCC2=CC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300012045530	0	51	0.0	-79.65	397.25	10.53	-69.12
CCN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045531	0	52	0.0	-91.20	417.67	11.26	-79.94
CC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=NN1C(C)C	REAL300012045532	0	48	0.0	-80.11	387.75	10.17	-69.94
CSC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1Cl	REAL300012045533	0	43	0.0	-84.81	380.03	11.86	-72.95
CC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C1CC1	REAL300012045534	0	49	0.0	-78.01	391.84	13.02	-64.99
CCOC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=N1	REAL300012045535	0	45	0.0	-84.70	373.75	8.04	-76.66
CC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1C1CC1	REAL300012045536	0	49	0.0	-78.23	391.24	13.03	-65.20
CC1=NN(C2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)C(C)=C2)C=C1	REAL300012045537	0	52	0.0	-87.71	420.50	12.72	-74.99
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C=C1	REAL300012045538	0	45	0.0	-85.70	396.01	12.28	-73.42
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045539	0	49	0.0	-86.42	415.17	12.72	-73.70
CCC1=CC(Br)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)S1	REAL300012045540	0	42	0.0	-72.98	377.84	11.62	-61.36
CC1=NN(C2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)C=C2)C=C1Cl	REAL300012045541	0	49	0.0	-87.54	421.72	12.68	-74.86
COC(=O)C1=CC2=C(C=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)O2)N1	REAL300012045542	0	46	0.0	-89.02	393.40	9.19	-79.83
COCCOC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)O1	REAL300012045543	0	47	0.0	-82.68	394.05	9.15	-73.53
CC(C)(C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1)C1=CC=C(Br)C=C1	REAL300012045544	0	48	0.0	-81.01	394.17	12.74	-68.27
CC1=NN(C(C)C)C(C)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045545	0	51	0.0	-80.76	408.26	10.71	-70.05
O=C([O-])CCC1=CC=C(C[NH2+]CC2=NN(CCF)C=C2)C=C1	REAL300012045546	1	42	0.0	-78.00	355.80	9.11	-68.89
CCN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=N1	REAL300012045547	0	45	0.0	-81.70	368.81	9.66	-72.04
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(Cl)=CC(Br)=C2)C=C1	REAL300012045548	0	39	0.0	-84.01	362.84	11.51	-72.50
CC1=CC=C(C2=CC=CC=C2C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1	REAL300012045549	0	55	0.0	-71.73	435.36	14.91	-56.82
CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2CC2)=N1	REAL300012045550	0	46	0.0	-82.63	379.69	10.38	-72.25
COC1=CC=CC(C2=CSC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=N2)=C1	REAL300012045551	1	49	0.0	-81.67	417.38	10.47	-71.20
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045552	0	59	0.0	-84.51	472.71	10.86	-73.65
COC(=O)C1=C2COCCN2C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045553	0	51	0.0	-92.01	418.22	9.76	-82.25
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)C=C1	REAL300012045554	0	56	0.0	-90.60	440.95	12.37	-78.23
CN1N=C(C2CC2)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045555	0	46	0.0	-86.37	377.14	10.05	-76.32
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045556	0	49	0.0	-87.34	395.57	13.39	-73.95
CC(C)C1=NOC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045557	0	44	0.0	-85.85	363.03	9.69	-76.16
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)C=C1	REAL300012045558	0	43	0.0	-77.79	381.03	9.31	-68.48
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN=C(C3CCOCC3)O2)C=C1	REAL300012045559	1	49	0.0	-83.64	397.09	6.86	-76.78
COC1=NC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1F	REAL300012045560	1	42	0.0	-83.79	357.49	7.15	-76.64
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(Cl)C=CC=C2Br)C=C1	REAL300012045561	1	39	0.0	-68.67	356.94	11.30	-57.37
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(F)C(Br)=C2F)C=C1	REAL300012045562	0	39	0.0	-85.55	355.66	11.09	-74.46
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN3C=CN=C3S2)C=C1	REAL300012045563	0	39	0.0	-91.79	342.19	10.36	-81.43
CC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C(C(C)(C)C)O1	REAL300012045564	0	51	0.0	-77.72	407.49	11.94	-65.78
CC1=C(C)SC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300012045565	1	41	0.0	-76.55	350.28	8.85	-67.70
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)C=C1	REAL300012045566	1	48	0.0	-85.02	402.96	10.74	-74.28
CC(C)(C)OC(=O)N1CCC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300012045567	0	59	0.0	-85.49	448.55	11.42	-74.07
CC1=CC(Br)=CN=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045568	0	41	0.0	-79.17	357.36	9.74	-69.43
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)C=C1	REAL300012045569	0	45	0.0	-87.63	398.69	8.32	-79.31
CC1OC2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)C=C2C1C	REAL300012045570	0	50	0.0	-82.70	398.22	11.50	-71.20
CC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OC(F)F	REAL300012045571	0	46	0.0	-78.77	384.14	10.72	-68.05
CC1=NC(Cl)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1Br	REAL300012045572	1	41	0.0	-79.85	371.46	10.17	-69.68
CC(C)CC1=CC=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045573	0	51	0.0	-77.32	397.25	12.93	-64.39
CC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)NN=C1C(F)(F)F	REAL300012045575	0	42	0.0	-91.54	362.54	8.26	-83.28
CC(C)CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)N=N1	REAL300012045576	1	47	0.0	-82.54	380.22	9.15	-73.39
O=C([O-])CCC1=CC=C(C[NH2+]CC2=NC(C3CC3)=CS2)C=C1	REAL300012045577	1	42	0.0	-77.52	360.45	9.61	-67.91
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(C(F)(F)F)=NN2)C=C1	REAL300012045578	0	39	0.0	-91.46	345.87	7.74	-83.72
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C3CCOC3=C2)C=C1	REAL300012045579	0	44	0.0	-80.81	360.66	10.24	-70.57
CSC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045582	0	43	0.0	-79.24	365.02	11.41	-67.83
CC(C)C1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)N(C)N=C1	REAL300012045583	0	48	0.0	-85.47	386.97	9.89	-75.58
CC1=C(Br)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C(C)S1	REAL300012045584	0	42	0.0	-73.74	372.61	11.32	-62.42
CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2=CC=CC(F)=C2)=N1	REAL300012045585	0	49	0.0	-79.84	410.40	11.64	-68.20
CCCN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=N1	REAL300012045586	0	48	0.0	-81.54	390.31	10.42	-71.12
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=NC=CC=C3O2)C=C1	REAL300012045587	0	41	0.0	-85.69	347.44	9.12	-76.57
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(CC3CC3)S2)C=C1	REAL300012045588	0	46	0.0	-76.19	390.00	12.65	-63.54
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(OC3CC3)C=C2)C=C1	REAL300012045589	0	47	0.0	-81.59	385.35	11.37	-70.22
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C=C1	REAL300012045590	0	43	0.0	-80.76	376.36	10.21	-70.55
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C=C1	REAL300012045591	0	45	0.0	-83.73	396.01	12.28	-71.45
CC1=NC=CN1C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1	REAL300012045592	0	52	0.0	-89.21	420.00	13.42	-75.79
CC1=C(C)N(C2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)C=C2)C=N1	REAL300012045593	0	52	0.0	-89.92	422.54	14.01	-75.91
CNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045594	0	46	0.0	-84.09	381.28	8.67	-75.42
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C=C1	REAL300012045595	0	53	0.0	-78.85	419.23	14.43	-64.42
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045597	0	49	0.0	-83.75	402.77	9.51	-74.24
CC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)OC2=CC=C(F)C=C12	REAL300012045598	0	45	0.0	-84.14	379.50	11.62	-72.52
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(C3CCC3)=NN2)C=C1	REAL300012045599	0	46	0.0	-85.16	371.92	9.31	-75.85
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045600	0	49	0.0	-89.07	404.91	11.56	-77.51
CCCN1C=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300012045601	1	45	0.0	-75.73	370.71	9.74	-65.99
CC(C)N1C=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300012045602	1	45	0.0	-75.48	367.90	9.50	-65.98
CC(C)(C)C1=CN=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045603	0	50	0.0	-82.42	396.21	10.90	-71.52
O=C([O-])CCC1=CC=C(C[NH2+]CC2=NN(CC(F)(F)F)C=C2)C=C1	REAL300012045604	1	42	0.0	-80.15	367.09	9.47	-70.68
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CN1C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=NC2=C1CCCC2	REAL300012045606	1	49	0.0	-80.70	387.53	11.07	-69.63
COC1=NC(Cl)=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045607	0	42	0.0	-82.06	367.45	7.59	-74.47
CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300012045608	0	42	0.0	-81.57	361.58	9.18	-72.39
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(C(F)F)=C2F)C=C1	REAL300012045609	0	42	0.0	-80.34	360.64	11.27	-69.07
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CCOC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045611	0	46	0.0	-74.89	391.54	11.20	-63.69
COC1=NN(C)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045612	1	43	0.0	-79.12	360.52	6.14	-72.98
O=C([O-])CCC1=CC=C(C[NH2+]CC2=NC3=C(COCC3)S2)C=C1	REAL300012045613	1	43	0.0	-79.52	364.23	7.73	-71.79
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C=C1	REAL300012045614	0	46	0.0	-80.45	387.69	10.33	-70.12
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=C(CCCC3)O2)C=C1	REAL300012045615	0	46	0.0	-77.57	369.09	11.23	-66.34
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C=C1	REAL300012045616	0	41	0.0	-95.82	359.43	11.14	-84.68
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN(C3CCCCC3)N=C2)C=C1	REAL300012045617	0	52	0.0	-80.51	409.46	11.45	-69.06
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)C=C1	REAL300012045618	1	46	0.0	-80.58	398.68	11.88	-68.70
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(F)C=C(Br)C=C2F)C=C1	REAL300012045619	1	39	0.0	-75.11	356.72	11.07	-64.04
CN(CCO)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300012045620	0	50	0.0	-82.16	404.38	7.97	-74.19
COC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=CC=C1C(C)(C)C	REAL300012045621	0	55	0.0	-75.26	417.96	12.13	-63.13
CN1C=C(Br)N=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045622	1	39	0.0	-84.80	346.16	9.25	-75.55
COC1=CC(C)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300012045623	0	45	0.0	-84.16	367.08	7.72	-76.44
COC1=CC(C)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1O	REAL300012045624	0	47	0.0	-82.97	379.82	8.16	-74.81
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C=C1	REAL300012045625	0	45	0.0	-83.40	381.56	9.52	-73.88
CN1C(=O)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300012045626	0	48	0.0	-79.09	392.15	11.20	-67.89
COC1=NC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1C	REAL300012045627	0	45	0.0	-79.35	372.10	7.79	-71.56
CCCN1C=NC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045628	0	45	0.0	-81.13	363.08	11.29	-69.84
CC1=CC(C)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1Br	REAL300012045629	0	48	0.0	-80.20	395.11	12.51	-67.69
O=C([O-])CCC1=CC=C(C[NH2+]CC=CC2=CC=C3OCOC3=C2)C=C1	REAL300012045630	0	46	0.0	-85.79	381.91	10.35	-75.44
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(CC3CCC3)C=C2)C=C1	REAL300012045631	0	52	0.0	-77.16	415.93	13.92	-63.24
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045632	0	49	0.0	-86.52	421.00	11.17	-75.35
CCC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=NN1CC	REAL300012045633	0	48	0.0	-78.63	384.17	10.32	-68.31
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(F)C=CC(Cl)=C2F)C=C1	REAL300012045634	1	39	0.0	-74.43	351.61	10.94	-63.49
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045635	0	56	0.0	-86.01	446.62	10.65	-75.36
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=NN2C2CC2(F)F)C=C1	REAL300012045636	0	43	0.0	-92.48	368.52	9.94	-82.54
COC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=CS1	REAL300012045637	0	40	0.0	-73.15	346.34	8.82	-64.33
CC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C(F)(F)F)=CO1	REAL300012045638	0	42	0.0	-76.33	364.66	10.23	-66.10
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045639	0	45	0.0	-82.08	378.02	11.92	-70.16
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C=C1	REAL300012045640	0	45	0.0	-85.14	387.74	11.18	-73.96
CN1C=C(C2=NNC=C2C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300012045641	0	46	0.0	-81.32	385.10	8.11	-73.21
CCCN1N=C(C)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1Cl	REAL300012045642	1	48	0.0	-77.68	406.27	10.67	-67.01
CC(C)(C#N)C1=NC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)S1	REAL300012045643	0	45	0.0	-82.95	391.48	9.74	-73.21
COC1=CC=C(Br)C(F)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045644	1	43	0.0	-73.30	378.88	10.39	-62.91
N#CC1=CC(F)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(Br)=C1	REAL300012045645	1	40	0.0	-79.46	368.99	11.30	-68.16
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(F)=CC(F)=C2F)C=C1	REAL300012045646	1	39	0.0	-82.99	342.06	10.57	-72.42
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C=C1	REAL300012045647	0	46	0.0	-80.78	390.38	12.82	-67.96
CC(C)(C)C1=NNC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045648	0	48	0.0	-84.61	386.79	9.24	-75.37
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C=C1	REAL300012045649	0	45	0.0	-84.08	382.49	13.04	-71.04
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC=C2OC2CCCCC2)C=C1	REAL300012045650	0	56	0.0	-72.66	434.34	13.24	-59.42
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C=C1	REAL300012045651	0	50	0.0	-84.02	430.23	13.76	-70.26
C=CCC1=CC=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045652	0	46	0.0	-77.51	371.93	12.27	-65.24
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C=C1	REAL300012045653	0	59	0.0	-80.96	455.04	13.91	-67.05
COC1=CC=CC(OC2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)C=C2)=C1	REAL300012045654	0	54	0.0	-87.14	443.00	12.54	-74.60
CCN1CCCC2=CC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=CC=C21	REAL300012045655	0	54	0.0	-78.02	413.74	11.41	-66.61
COCC1=CN=C(OC)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045656	0	49	0.0	-77.90	404.69	6.94	-70.96
CN1N=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1Br	REAL300012045657	1	39	0.0	-77.30	347.57	8.62	-68.68
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045658	0	54	0.0	-83.62	444.10	13.18	-70.44
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN=NN2C2CC2)C=C1	REAL300012045659	0	42	0.0	-92.13	351.29	8.41	-83.72
COC1=C(Br)C=CC(F)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045660	1	43	0.0	-73.95	379.96	10.48	-63.47
COCC1=CC=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045661	0	46	0.0	-80.55	371.24	10.24	-70.31
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)C=C1	REAL300012045662	0	52	0.0	-85.32	433.92	15.11	-70.21
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C=C1	REAL300012045663	0	43	0.0	-84.33	381.21	11.85	-72.48
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)C=C1	REAL300012045664	0	52	0.0	-83.47	418.01	11.07	-72.40
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C3CCOCC3=C2)C=C1	REAL300012045665	0	47	0.0	-80.90	378.52	10.48	-70.42
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN(CCO)N=C2)C=C1	REAL300012045666	0	43	0.0	-83.06	360.57	5.71	-77.35
CC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)SC2=CC(F)=CC=C12	REAL300012045667	0	45	0.0	-82.15	385.35	12.53	-69.62
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C=C1	REAL300012045668	0	45	0.0	-91.50	379.43	8.57	-82.93
COC1=CC=C(F)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1OC	REAL300012045669	1	47	0.0	-72.76	390.17	9.73	-63.03
CN1C=CC(C2=NNC=C2C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300012045670	0	46	0.0	-76.28	385.06	8.46	-67.82
CC1=CC=C(F)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1Br	REAL300012045671	1	42	0.0	-69.79	366.40	11.49	-58.30
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC=C2OCCC2CCCCC2)C=C1	REAL300012045672	0	62	0.0	-73.10	476.94	14.70	-58.40
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(OCC3CCC3)=C2)C=C1	REAL300012045673	0	53	0.0	-78.75	424.40	12.75	-66.00
CC(F)(F)C1=CC=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045674	0	45	0.0	-73.20	365.32	11.93	-61.27
COC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1OCCO	REAL300012045675	0	51	0.0	-87.87	416.78	7.43	-80.44
CCN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2CC2)=N1	REAL300012045676	0	49	0.0	-82.36	401.21	11.24	-71.12
COC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1OCCO	REAL300012045677	0	51	0.0	-88.07	416.79	7.43	-80.64
CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2=CC=NN2C)=N1	REAL300012045678	0	49	0.0	-83.23	410.33	9.32	-73.91
CC(C)(C)C1=NOC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045679	0	47	0.0	-83.65	368.33	10.17	-73.48
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=CN=CC=C3C=C2)C=C1	REAL300012045680	0	44	0.0	-86.91	365.81	10.88	-76.03
COC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC=C1OCC1CCCO1	REAL300012045681	0	58	0.0	-87.91	462.49	11.03	-76.88
CC1=CC2=CC=CC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=C2O1	REAL300012045682	0	45	0.0	-76.98	374.04	11.55	-65.43
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C=C1	REAL300012045683	0	42	0.0	-82.74	358.57	11.52	-71.22
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)C=C1	REAL300012045684	1	46	0.0	-72.36	399.71	11.17	-61.19
COC1=CSC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1OC	REAL300012045685	0	44	0.0	-77.72	373.97	8.55	-69.17
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CON=C2C2CCC2)C=C1	REAL300012045686	0	45	0.0	-86.37	369.51	10.48	-75.89
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(Br)C=CC3=C2OCO3)C=C1	REAL300012045687	1	42	0.0	-71.91	368.91	9.54	-62.37
CS(=O)(=O)C1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)SC=C1	REAL300012045688	1	42	0.0	-83.93	366.53	7.06	-76.87
CS(=O)(=O)C1=COC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045689	1	42	0.0	-89.30	368.62	5.99	-83.31
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C=C1	REAL300012045690	0	42	0.0	-83.07	369.12	11.43	-71.64
CC(C)OC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1F	REAL300012045691	0	49	0.0	-86.17	400.32	11.32	-74.85
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(F)C(Cl)=C2F)C=C1	REAL300012045693	0	39	0.0	-85.45	351.40	10.99	-74.46
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(C(F)F)=C2)C=C1	REAL300012045694	0	42	0.0	-81.58	356.99	11.26	-70.32
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C=C1	REAL300012045695	0	45	0.0	-77.95	375.33	12.66	-65.29
CS(=O)(=O)C1=CSC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045696	0	42	0.0	-87.12	377.04	7.00	-80.12
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CSC(Cl)=C2)C=C1	REAL300012045697	0	36	0.0	-81.38	331.83	9.96	-71.42
CC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=NN1C1CCC1	REAL300012045698	0	49	0.0	-80.14	392.52	10.88	-69.26
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)C=C1	REAL300012045699	0	46	0.0	-84.01	400.37	12.13	-71.88
CC1=NN(C2CCCC2)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045700	0	52	0.0	-86.37	412.90	11.48	-74.89
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=NN2CC(F)F)C=C1	REAL300012045701	0	42	0.0	-91.07	355.71	9.20	-81.87
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045702	0	49	0.0	-83.41	405.50	11.07	-72.34
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)C=C1	REAL300012045703	0	42	0.0	-81.68	366.29	11.88	-69.80
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(F)C=CN=C2Cl)C=C1	REAL300012045704	1	38	0.0	-74.40	339.33	9.01	-65.39
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C=C1	REAL300012045705	0	46	0.0	-84.57	390.05	11.68	-72.89
CN(C)C1=CN=CC(F)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045706	1	46	0.0	-74.27	378.64	8.49	-65.78
COC1=NC(C)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1Cl	REAL300012045707	0	48	0.0	-87.80	399.24	8.63	-79.17
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CC1=NN(C2CCOCC2)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045714	0	53	0.0	-81.75	419.88	9.64	-72.11
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CC1=NN(C2CCCC2)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045720	0	52	0.0	-80.95	410.14	11.44	-69.51
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CC1=CC(Br)=C(F)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045722	0	42	0.0	-79.55	371.33	11.72	-67.83
COC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1Br	REAL300012045723	0	43	0.0	-75.53	369.71	10.30	-65.23
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CN1C=C(C2=CC=CC(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)=C2)C=N1	REAL300012045727	0	49	0.0	-83.19	404.93	11.69	-71.50
COC1=CC(F)=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1Br	REAL300012045728	0	43	0.0	-79.63	379.25	10.40	-69.23
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COC1=C(C#N)C=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045731	0	44	0.0	-86.90	374.58	10.20	-76.70
COC1=NC2=CC=C(C[NH2+]CC3=CC=C(CCC(=O)[O-])C=C3)C=C2S1	REAL300012045732	0	45	0.0	-88.12	389.22	8.22	-79.90
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O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(F)=CC(Cl)=C2Cl)C=C1	REAL300012045734	1	39	0.0	-79.99	358.27	11.41	-68.58
CC1=NC(Cl)=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045735	0	41	0.0	-87.61	351.61	9.63	-77.98
CC(C)(C)COC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045736	0	55	0.0	-78.40	436.60	12.74	-65.66
COC1=CC(Cl)=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045737	0	43	0.0	-82.06	371.05	10.21	-71.85
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)C=C1	REAL300012045738	0	42	0.0	-87.35	376.32	11.75	-75.60
COC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CC(F)=C1F	REAL300012045739	0	43	0.0	-93.68	366.83	9.83	-83.85
COC1=CC(C)=NC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045740	0	45	0.0	-76.49	370.01	8.61	-67.88
CC(C)N1C=NC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045741	1	45	0.0	-74.34	368.30	10.97	-63.37
CN1N=CC=C1C1=NNC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045742	0	46	0.0	-83.78	387.38	8.01	-75.77
CC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2CC2)=NO1	REAL300012045743	0	45	0.0	-85.43	374.07	10.80	-74.63
COC(=O)C1=C(C)NC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300012045744	0	49	0.0	-89.12	407.52	10.14	-78.98
CC(C)OC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)O1	REAL300012045745	0	46	0.0	-80.59	380.72	10.62	-69.97
CC1=CC(Br)=CC(C)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045746	0	45	0.0	-81.71	379.26	12.08	-69.63
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(O)C=CC(F)=C2Br)C=C1	REAL300012045747	0	40	0.0	-75.50	358.27	8.13	-67.37
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(Cl)C=CC3=C2OCO3)C=C1	REAL300012045748	1	42	0.0	-72.54	364.88	9.47	-63.07
N#CC1=CC(F)=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045749	0	40	0.0	-92.27	352.08	10.85	-81.42
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3CCCCC3)C=C2)C=C1	REAL300012045750	0	55	0.0	-77.24	426.66	14.21	-63.03
COC1=CC=CC=C1C=CC[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045751	0	47	0.0	-78.50	384.22	11.05	-67.45
CC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)SC(Br)=C1	REAL300012045752	0	39	0.0	-79.85	355.23	10.82	-69.03
CC1=NN(C2CCC2)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045753	0	49	0.0	-81.49	392.62	10.77	-70.72
CC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=NN1CC(F)F	REAL300012045754	0	45	0.0	-85.69	379.36	9.81	-75.88
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C=C1	REAL300012045755	0	47	0.0	-87.11	394.00	10.74	-76.37
CCCN1N=C(C)C(Cl)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045756	1	48	0.0	-82.85	407.20	10.67	-72.18
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045757	0	51	0.0	-86.59	422.95	12.48	-74.11
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045758	0	46	0.0	-90.12	388.12	9.65	-80.47
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C=C1	REAL300012045759	0	52	0.0	-78.77	427.60	14.86	-63.91
CCCCC(=O)NC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045760	0	55	0.0	-83.94	444.47	11.65	-72.29
COC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=N1	REAL300012045761	0	45	0.0	-84.69	366.91	7.69	-77.00
CCN(C)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C)=C1	REAL300012045762	0	53	0.0	-76.02	412.89	12.39	-63.63
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(Cl)=CN=C2Br)C=C1	REAL300012045763	1	38	0.0	-79.57	352.09	9.60	-69.97
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C(Cl)C(Cl)=CS2)C=C1	REAL300012045764	0	36	0.0	-77.61	346.26	10.43	-67.18
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045765	0	60	0.0	-78.37	453.79	12.58	-65.79
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045766	0	50	0.0	-68.22	402.52	9.77	-58.45
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(CF)C=C2)C=C1	REAL300012045767	0	42	0.0	-80.69	352.79	11.22	-69.47
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C=C1	REAL300012045768	0	43	0.0	-87.35	386.84	10.74	-76.61
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C=C1	REAL300012045769	0	49	0.0	-84.89	413.38	13.22	-71.67
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C3SC=CC3=C2)C=C1	REAL300012045770	0	42	0.0	-83.52	361.73	11.77	-71.75
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C=C1	REAL300012045771	0	48	0.0	-84.52	394.22	12.06	-72.46
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045772	0	61	0.0	-81.79	483.74	15.31	-66.48
CC1=NSC(C)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045773	0	41	0.0	-85.16	347.36	9.24	-75.92
CC(C)(C)C1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=NO1	REAL300012045774	0	47	0.0	-81.29	368.01	10.46	-70.83
CC1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1C(F)(F)F	REAL300012045775	0	45	0.0	-77.15	369.69	12.02	-65.13
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=NNC=C3C=C2)C=C1	REAL300012045776	0	42	0.0	-83.31	351.06	9.12	-74.19
CCC(C)C1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300012045777	0	51	0.0	-77.27	403.48	12.99	-64.28
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=NC=C(Br)C=C3O2)C=C1	REAL300012045778	0	41	0.0	-86.89	368.76	9.71	-77.18
O=C([O-])CCC1=CC=C(C[NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)C=C1	REAL300012045779	0	44	0.0	-86.55	389.86	10.77	-75.78
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=C(CCOC3)N=C2Cl)C=C1	REAL300012045780	1	46	0.0	-81.92	385.69	9.06	-72.86
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045781	1	52	0.0	-82.46	424.28	12.92	-69.54
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=N1	REAL300012045782	0	44	0.0	-83.48	373.91	10.35	-73.13
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(Br)=CC(F)=C2F)C=C1	REAL300012045783	0	39	0.0	-82.01	356.95	11.12	-70.89
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C=C1	REAL300012045784	0	49	0.0	-78.45	380.21	12.76	-65.69
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)C=C1	REAL300012045785	0	41	0.0	-94.38	374.32	11.69	-82.69
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045786	0	46	0.0	-83.85	385.30	12.30	-71.55
COC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=CC(Br)=C1F	REAL300012045787	0	43	0.0	-85.18	381.13	10.46	-74.72
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2F)C=C1	REAL300012045788	0	42	0.0	-83.22	368.29	11.42	-71.80
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C=C1	REAL300012045789	0	45	0.0	-93.42	377.18	10.31	-83.11
CC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C=CC2=CC=CC=C21	REAL300012045790	0	48	0.0	-80.74	382.26	13.09	-67.65
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045791	0	57	0.0	-80.83	450.00	12.05	-68.78
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)C=C1	REAL300012045792	0	45	0.0	-84.77	389.36	13.18	-71.59
COC1=C2C=CNC2=CC=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045793	0	47	0.0	-76.93	385.74	9.82	-67.11
CC1=NC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C(C)S1	REAL300012045794	1	41	0.0	-75.43	350.28	8.81	-66.62
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C=C1	REAL300012045795	0	52	0.0	-80.38	412.41	7.40	-72.98
COC1=CC=C(OC)C(OC)=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045796	1	51	0.0	-71.53	413.01	9.04	-62.49
CCCN1N=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1C	REAL300012045797	0	48	0.0	-80.55	389.49	10.25	-70.30
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)C=C1	REAL300012045798	0	56	0.0	-72.44	436.18	12.30	-60.14
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)C=C1	REAL300012045799	0	53	0.0	-79.15	438.49	13.90	-65.25
CC1=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C2=NC=CC=C2C=C1	REAL300012045800	0	47	0.0	-72.38	380.55	11.48	-60.90
CC1=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=CN=C1N1C=CC=N1	REAL300012045801	0	48	0.0	-90.00	396.94	11.74	-78.26
COC(=O)C1=CN(C)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300012045802	0	46	0.0	-88.60	386.73	10.52	-78.08
COC1=CC=C(Br)C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)=C1O	REAL300012045803	0	44	0.0	-72.74	381.80	8.06	-64.68
CCCN1N=C(C)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])C=C1	REAL300012045804	0	48	0.0	-84.32	385.95	10.26	-74.06
CN1C=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)C(C2CCC2)=N1	REAL300012045805	0	49	0.0	-82.72	396.08	10.83	-71.89
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])C=C2)O1	REAL300012045806	1	47	0.0	-81.24	384.00	7.89	-73.35
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC=CN=C3C=C2)=C1	REAL300012045807	0	42	0.0	-82.12	353.45	9.46	-72.66
CC(C)(C)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012045808	0	49	0.0	-73.54	388.53	11.42	-62.12
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CNN=C2C2=CC=CC=C2)=C1	REAL300012045809	0	44	0.0	-76.01	368.80	8.96	-67.05
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Br)O2)=C1	REAL300012045810	1	34	0.0	-78.59	314.78	7.97	-70.62
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045811	0	47	0.0	-80.68	391.57	10.84	-69.84
N#CCCN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300012045812	0	51	0.0	-81.46	434.15	11.62	-69.84
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1OC(F)F	REAL300012045813	0	45	0.0	-82.01	380.84	8.57	-73.44
CCOC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1OC	REAL300012045814	0	48	0.0	-81.23	392.93	9.21	-72.02
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)=C1	REAL300012045815	0	51	0.0	-67.68	422.19	12.45	-55.23
CCCCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012045816	0	53	0.0	-76.32	428.18	11.68	-64.64
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)=C1	REAL300012045817	0	46	0.0	-86.13	400.78	11.65	-74.48
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)=C1	REAL300012045818	0	46	0.0	-85.95	400.76	11.65	-74.30
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1Br	REAL300012045819	0	41	0.0	-81.30	362.25	9.06	-72.24
CC(C)OC1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045820	0	47	0.0	-67.80	380.19	10.02	-57.78
CCCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC	REAL300012045821	0	54	0.0	-81.00	435.93	10.79	-70.21
CCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC	REAL300012045822	0	51	0.0	-81.05	414.43	10.01	-71.04
C=CCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC	REAL300012045823	0	49	0.0	-81.44	405.84	9.79	-71.65
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)=C1	REAL300012045824	0	44	0.0	-78.91	389.30	11.50	-67.41
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)=C1	REAL300012045825	0	44	0.0	-77.35	389.42	11.54	-65.81
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)=C1	REAL300012045826	0	44	0.0	-77.58	396.90	12.39	-65.19
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)=C1	REAL300012045827	0	47	0.0	-77.43	396.57	10.76	-66.67
CCC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300012045828	0	46	0.0	-76.92	377.44	11.05	-65.87
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)=C1	REAL300012045829	0	46	0.0	-82.33	396.67	12.27	-70.06
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)=C1	REAL300012045830	1	43	0.0	-77.42	383.59	9.95	-67.47
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2OC(F)(F)F)=C1	REAL300012045831	0	41	0.0	-71.19	356.91	8.96	-62.23
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(SC(F)(F)F)C=C2)=C1	REAL300012045832	0	41	0.0	-80.52	368.73	10.56	-69.96
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C([N+](=O)[O-])C=C1O	REAL300012045833	1	44	0.0	-77.07	372.33	6.81	-70.26
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(Cl)=C1	REAL300012045834	0	41	0.0	-71.30	354.51	8.83	-62.47
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300012045835	0	41	0.0	-80.31	358.33	8.89	-71.42
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S2)=C1	REAL300012045836	0	46	0.0	-84.46	408.36	12.54	-71.92
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)=C1	REAL300012045837	0	46	0.0	-81.91	408.93	12.59	-69.32
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)=C1	REAL300012045838	0	44	0.0	-84.20	375.13	9.03	-75.17
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012045839	0	47	0.0	-75.89	390.20	9.63	-66.26
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CNN=C2C2=CC=CS2)=C1	REAL300012045840	0	41	0.0	-72.81	356.08	8.23	-64.58
COC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012045841	0	48	0.0	-76.67	398.26	8.25	-68.42
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC3=CC=CC=C23)=C1	REAL300012045842	0	40	0.0	-77.84	349.23	10.47	-67.37
CCOC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=NN1CC(C)C	REAL300012045843	1	56	0.0	-70.73	438.50	9.17	-61.56
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC=CC=C3OC2)=C1	REAL300012045844	0	43	0.0	-79.14	358.40	9.58	-69.56
CC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)O2)C=C1	REAL300012045845	0	47	0.0	-77.75	393.98	11.66	-66.09
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300012045846	0	44	0.0	-74.03	373.40	8.21	-65.82
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CNN=C2C2=CC=CN=C2)=C1	REAL300012045847	0	43	0.0	-80.19	363.27	7.21	-72.98
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)=C1	REAL300012045848	0	50	0.0	-80.31	413.32	8.11	-72.20
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OCC3CCCO3)C=C2)=C1	REAL300012045849	0	52	0.0	-79.98	420.65	9.70	-70.28
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)S2)=C1	REAL300012045850	0	34	0.0	-77.58	319.60	8.82	-68.76
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)=C1	REAL300012045851	0	44	0.0	-78.15	386.58	11.94	-66.21
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=CN=C32)=C1	REAL300012045852	0	42	0.0	-68.09	352.11	9.63	-58.46
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)=C1	REAL300012045853	0	50	0.0	-74.85	415.00	10.75	-64.10
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045854	0	46	0.0	-79.67	383.23	8.10	-71.57
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300012045855	0	44	0.0	-82.25	370.69	10.30	-71.95
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(N3C=NC=N3)C=C2)=C1	REAL300012045856	0	43	0.0	-84.99	365.62	11.62	-73.37
CC(C)N1N=CC2=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=C(Cl)N=C21	REAL300012045857	0	48	0.0	-84.62	411.17	10.20	-74.42
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)=C1	REAL300012045858	0	44	0.0	-76.10	397.09	12.40	-63.70
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)=C1	REAL300012045859	0	44	0.0	-76.89	389.54	12.05	-64.84
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(F)=CC=C2F)=C1	REAL300012045860	0	37	0.0	-73.45	324.31	9.19	-64.26
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)=C1	REAL300012045861	0	40	0.0	-74.82	363.24	10.60	-64.22
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C=C2Cl)=C1	REAL300012045862	0	37	0.0	-73.42	331.43	9.60	-63.82
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C(Cl)=C2)=C1	REAL300012045863	0	37	0.0	-84.05	334.93	9.65	-74.40
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)=C1	REAL300012045864	0	40	0.0	-87.49	356.65	10.15	-77.34
CCOC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012045865	0	44	0.0	-74.55	363.69	9.32	-65.23
CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1F	REAL300012045866	0	40	0.0	-77.23	339.05	9.80	-67.43
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CC=C2Cl)=C1	REAL300012045867	0	37	0.0	-70.98	341.76	10.05	-60.93
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C=C2C(F)(F)F)=C1	REAL300012045868	0	40	0.0	-78.15	347.27	10.24	-67.91
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(F)=C(F)C(F)=C2)=C1	REAL300012045869	0	37	0.0	-89.28	331.34	9.28	-80.00
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)=C1	REAL300012045870	0	40	0.0	-83.20	357.47	10.16	-73.04
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2F)=C1	REAL300012045871	0	40	0.0	-76.36	355.91	10.16	-66.20
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(Cl)=C1OC	REAL300012045872	0	45	0.0	-74.18	386.93	8.88	-65.30
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC=CC=C3S2)=C1	REAL300012045873	0	40	0.0	-77.04	349.72	10.64	-66.40
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)C(F)=C2)=C1	REAL300012045874	0	37	0.0	-84.09	334.93	9.66	-74.43
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CC=C2OC(F)F)=C1	REAL300012045875	0	41	0.0	-77.00	366.96	9.25	-67.75
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)=C1	REAL300012045876	0	44	0.0	-78.02	396.91	12.38	-65.64
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)=C1	REAL300012045877	0	47	0.0	-87.90	394.83	7.62	-80.28
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CN=C2Cl)=C1	REAL300012045878	1	36	0.0	-78.43	319.25	7.73	-70.70
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1OCC(F)(F)F	REAL300012045879	0	48	0.0	-85.05	412.50	9.67	-75.38
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)=C1	REAL300012045880	0	50	0.0	-80.04	418.48	10.60	-69.44
CC(C)C1=NN(C)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045881	0	46	0.0	-77.63	377.54	8.74	-68.89
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045882	1	46	0.0	-75.32	392.43	9.04	-66.28
COCCOC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012045883	0	48	0.0	-75.68	397.32	8.59	-67.09
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1Cl	REAL300012045884	0	41	0.0	-81.39	357.86	8.94	-72.45
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC(C3=CC=CC=N3)=N2)=C1	REAL300012045885	1	42	0.0	-79.06	372.59	8.02	-71.04
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045886	1	49	0.0	-82.66	393.72	10.67	-71.99
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300012045887	0	53	0.0	-86.33	430.45	9.02	-77.31
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)=C1	REAL300012045888	0	44	0.0	-76.82	383.26	9.78	-67.04
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=C2OCCO3)=C1	REAL300012045889	0	43	0.0	-72.53	355.25	8.31	-64.22
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=C2OCCCO3)=C1	REAL300012045890	0	46	0.0	-73.53	373.95	9.08	-64.45
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045891	1	49	0.0	-82.82	402.89	11.12	-71.70
CCCOC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012045892	0	47	0.0	-74.45	385.19	10.12	-64.33
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)=C1	REAL300012045893	0	44	0.0	-76.71	378.38	11.68	-65.03
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OC3CCCC3)=C2)=C1	REAL300012045894	0	51	0.0	-74.12	406.42	11.29	-62.83
CC(C)OC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012045895	0	47	0.0	-77.50	381.61	9.94	-67.56
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012045896	0	50	0.0	-73.62	421.21	11.11	-62.51
CC1=CC=C(C2=NC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CS2)C=C1	REAL300012045897	1	46	0.0	-75.68	398.58	10.56	-65.12
CC(C)C1=NC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CS1	REAL300012045898	1	42	0.0	-73.25	360.10	8.13	-65.12
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)=C1	REAL300012045899	0	51	0.0	-77.52	427.32	12.54	-64.98
CC(C)(C)C1=NC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CS1	REAL300012045902	1	45	0.0	-72.83	379.04	8.64	-64.19
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC(C3=CSC=C3)=N2)=C1	REAL300012045903	1	40	0.0	-75.54	368.22	8.82	-66.72
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)=C1	REAL300012045904	0	44	0.0	-79.06	386.59	11.94	-67.12
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045905	0	51	0.0	-68.67	419.11	9.96	-58.71
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2OC2CCCC2)=C1	REAL300012045906	0	51	0.0	-68.33	406.04	11.37	-56.96
CC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)S2)C=C1	REAL300012045907	0	47	0.0	-76.41	401.58	12.55	-63.86
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)=C1	REAL300012045908	1	43	0.0	-86.43	378.43	9.40	-77.03
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045909	0	41	0.0	-75.63	374.64	9.53	-66.10
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Br)=CC=C2Cl)=C1	REAL300012045910	0	37	0.0	-71.05	346.33	10.15	-60.90
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CC=C2Br)=C1	REAL300012045911	1	37	0.0	-70.20	345.34	10.16	-60.04
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)=C1	REAL300012045912	0	48	0.0	-78.61	415.57	12.16	-66.45
CCOC1=C(OC)C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC	REAL300012045913	0	52	0.0	-85.25	426.09	9.15	-76.10
COCCCOC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012045914	0	51	0.0	-75.87	418.86	9.19	-66.68
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CN=C1Cl	REAL300012045915	0	39	0.0	-82.76	342.84	8.32	-74.44
COC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012045916	0	45	0.0	-75.68	379.69	8.01	-67.67
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Cl)C=CC=C2OC(F)F)=C1	REAL300012045917	1	41	0.0	-68.80	364.30	9.14	-59.66
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1OC1=CC=CN=C1	REAL300012045918	0	50	0.0	-79.37	417.63	10.97	-68.40
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2OCC(=O)NCC2CC2)=C1	REAL300012045919	0	55	0.0	-68.37	453.97	10.38	-57.99
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)S2)C=C1	REAL300012045920	0	46	0.0	-77.79	398.76	10.79	-67.00
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)=C1	REAL300012045921	0	42	0.0	-70.22	368.80	10.14	-60.08
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)=C1	REAL300012045922	0	42	0.0	-72.74	357.72	9.67	-63.07
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)=C1	REAL300012045923	0	42	0.0	-71.34	358.49	9.70	-61.64
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)=C1	REAL300012045924	0	42	0.0	-71.95	366.57	10.06	-61.89
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)=C1	REAL300012045925	0	44	0.0	-78.85	387.07	11.15	-67.70
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300012045926	0	47	0.0	-79.35	399.53	11.73	-67.62
CCC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)O2)C=C1	REAL300012045927	0	50	0.0	-77.49	415.46	12.42	-65.07
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(OC(F)F)=C1	REAL300012045928	0	45	0.0	-77.84	379.69	8.03	-69.81
COC1=CC=C2OC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CC2=C1	REAL300012045929	0	44	0.0	-80.73	369.69	8.90	-71.83
O=C([O-])COC1=CC=CC(C[NH2+]CC=CC2=CC=C(Cl)C=C2)=C1	REAL300012045930	0	41	0.0	-77.58	360.10	10.92	-66.66
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300012045931	0	43	0.0	-78.78	360.61	10.23	-68.55
O=C([O-])COC1=CC=CC(C[NH2+]CC2=COC3=CC=CC=C23)=C1	REAL300012045932	0	40	0.0	-78.01	340.25	9.47	-68.54
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)=C1	REAL300012045933	1	45	0.0	-80.53	379.10	10.85	-69.68
CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1Br	REAL300012045934	0	40	0.0	-76.06	351.83	10.28	-65.78
O=C([O-])COC1=CC=CC(C[NH2+]CC=CC2=CC=C(F)C=C2F)=C1	REAL300012045935	0	41	0.0	-78.10	355.29	10.50	-67.60
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1Br	REAL300012045936	0	40	0.0	-78.64	351.83	10.28	-68.36
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300012045937	1	44	0.0	-77.38	371.22	10.22	-67.16
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Cl)SC=C2)=C1	REAL300012045938	1	34	0.0	-72.65	316.56	8.64	-64.01
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CC3=C2OCC3)=C1	REAL300012045939	0	42	0.0	-71.84	364.83	9.45	-62.39
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=C(F)C=CC=C3N2)=C1	REAL300012045940	0	41	0.0	-83.32	350.72	9.11	-74.21
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC=C(F)C=C3N2)=C1	REAL300012045941	0	41	0.0	-82.99	350.62	9.11	-73.88
CCOC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300012045942	0	43	0.0	-77.28	361.36	6.69	-70.59
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC2=CC=CN=C12	REAL300012045943	0	45	0.0	-83.17	373.57	10.29	-72.88
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1Cl	REAL300012045944	0	40	0.0	-78.52	347.80	10.19	-68.33
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C3C=CSC3=C2)=C1	REAL300012045945	0	39	0.0	-82.68	344.20	8.57	-74.11
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)O2)C=C1	REAL300012045946	0	56	0.0	-77.31	448.69	13.30	-64.01
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045947	0	57	0.0	-68.42	437.23	12.29	-56.13
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045948	0	57	0.0	-72.63	454.76	12.22	-60.41
CCCC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012045949	0	46	0.0	-73.91	376.72	11.31	-62.60
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012045950	0	55	0.0	-78.24	447.14	13.86	-64.38
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1F	REAL300012045951	0	51	0.0	-81.06	412.80	10.26	-70.80
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C(SC)C=C1OC	REAL300012045952	0	49	0.0	-73.70	406.69	9.23	-64.47
COC1=CC=C2N=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)SC2=C1	REAL300012045953	1	43	0.0	-77.15	373.98	7.91	-69.24
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045954	1	43	0.0	-80.35	375.47	9.95	-70.40
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1C#N	REAL300012045955	0	42	0.0	-90.29	362.05	8.81	-81.48
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(SC(F)F)C=C2)=C1	REAL300012045956	0	41	0.0	-79.30	362.15	10.36	-68.94
CC1=CC(Cl)=CC(C)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045957	0	43	0.0	-77.29	362.23	10.67	-66.62
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300012045958	0	41	0.0	-83.92	357.81	8.74	-75.18
CCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)N=C1	REAL300012045959	0	43	0.0	-76.41	358.74	7.47	-68.94
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045960	0	43	0.0	-80.42	365.90	10.71	-69.71
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300012045961	0	45	0.0	-85.09	391.04	8.93	-76.16
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OCC(C)C	REAL300012045962	0	54	0.0	-80.54	434.54	10.69	-69.85
CCCOC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1OC	REAL300012045963	0	51	0.0	-80.92	414.43	10.01	-70.91
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Br)S2)=C1	REAL300012045964	0	34	0.0	-77.73	324.23	8.92	-68.81
CCOC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC(Cl)=C1OC	REAL300012045965	0	48	0.0	-85.01	412.89	9.85	-75.16
C=CCOC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012045966	0	45	0.0	-74.71	376.59	9.90	-64.81
COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1OC(C)C	REAL300012045967	0	51	0.0	-72.03	410.34	10.13	-61.90
CCOC1=C(Cl)C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC	REAL300012045968	0	48	0.0	-84.95	412.89	9.88	-75.07
CCCOC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=CC=C1OCC	REAL300012045969	0	54	0.0	-71.89	436.26	11.02	-60.87
CCCCOC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1OC	REAL300012045970	0	54	0.0	-80.98	435.93	10.79	-70.19
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC(F)F	REAL300012045971	0	45	0.0	-80.10	380.84	8.58	-71.52
CCOC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1OC(F)F	REAL300012045972	0	48	0.0	-81.95	402.69	9.49	-72.46
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC(C)=C1OC(F)F	REAL300012045973	0	47	0.0	-79.32	390.88	10.15	-69.17
CCOC1=CC2=C(C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1)OC(C)C2	REAL300012045974	0	52	0.0	-70.68	419.21	9.98	-60.70
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC2=C1OCCO2	REAL300012045975	0	47	0.0	-83.52	386.03	8.12	-75.40
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)=C1	REAL300012045976	0	46	0.0	-84.79	406.81	10.52	-74.27
CCCCN1N=C(C)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1Cl	REAL300012045977	1	49	0.0	-73.02	415.29	10.14	-62.88
CCOC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1OC(F)F	REAL300012045978	0	48	0.0	-72.49	401.04	9.59	-62.90
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2OCC(=O)N2CCCC2)=C1	REAL300012045979	0	55	0.0	-68.14	446.53	11.26	-56.88
CC1=CC(C)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1C	REAL300012045980	0	46	0.0	-73.30	366.85	10.86	-62.44
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3)S2)=C1	REAL300012045981	0	44	0.0	-76.48	380.18	11.87	-64.61
CCCOC1=C(Cl)C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC	REAL300012045982	0	51	0.0	-84.83	434.39	10.69	-74.14
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)=C1	REAL300012045983	0	44	0.0	-81.34	387.28	11.16	-70.18
CC(C)(C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1)C1=CC=CC=C1	REAL300012045984	0	46	0.0	-73.77	360.40	10.81	-62.96
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2CCCCC2)=N1	REAL300012045985	0	53	0.0	-78.72	419.17	10.64	-68.08
CC(CCC1=CC=CC=C1)C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045986	0	49	0.0	-73.20	391.35	11.98	-61.22
CCC1CCCC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300012045987	0	49	0.0	-71.47	365.39	10.42	-61.05
CC1(C)CCC2=C(C1)SC(C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1)=N2	REAL300012045988	1	49	0.0	-71.55	396.56	9.75	-61.80
CCC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045989	0	43	0.0	-70.66	361.86	10.75	-59.91
CC1=C(C)C=C2OC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CC2=C1	REAL300012045990	0	46	0.0	-79.03	378.51	10.82	-68.21
CCCC1CCC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300012045991	0	52	0.0	-72.12	393.90	11.45	-60.67
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)=C1	REAL300012045992	0	44	0.0	-83.12	385.44	9.48	-73.64
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)=C1	REAL300012045993	0	44	0.0	-84.39	368.29	11.48	-72.91
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)=C1	REAL300012045994	0	44	0.0	-78.50	380.98	11.10	-67.40
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=C3OCCOC3=C2)=C1	REAL300012045995	0	43	0.0	-81.35	372.80	8.79	-72.56
CCCCC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C2=CC=CC=C2O1	REAL300012045996	0	52	0.0	-77.82	420.44	12.60	-65.22
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)=C1	REAL300012045997	0	50	0.0	-87.01	419.20	13.76	-73.25
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012045998	0	50	0.0	-81.80	416.14	11.27	-70.53
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)=C1	REAL300012045999	0	46	0.0	-83.72	391.21	9.57	-74.15
COC1=CC=C(C)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046000	0	44	0.0	-68.52	361.88	9.12	-59.40
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1F	REAL300012046001	0	41	0.0	-83.64	348.06	8.47	-75.17
O=C([O-])COC1=CC=CC(C[NH2+]CC2CCC(C(F)(F)F)CC2)=C1	REAL300012046002	0	46	0.0	-76.45	363.70	10.12	-66.33
CC(C)C1CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)CCO1	REAL300012046003	0	50	0.0	-75.66	383.46	9.16	-66.50
CC1(C)CCC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300012046004	0	49	0.0	-72.83	367.32	10.32	-62.51
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)=C1	REAL300012046005	0	44	0.0	-87.95	389.49	9.86	-78.09
CCSC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046008	0	44	0.0	-74.46	374.01	10.95	-63.51
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(O)C=CC(Cl)=C2F)=C1	REAL300012046009	1	38	0.0	-72.53	343.50	6.83	-65.70
COC1(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)CCCCC1	REAL300012046010	0	47	0.0	-72.85	355.59	8.47	-64.38
CCN1N=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C2=CC=CC=C21	REAL300012046011	1	46	0.0	-77.76	384.09	9.88	-67.88
COCCC1(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)CCCCC1	REAL300012046012	0	53	0.0	-72.95	390.31	9.36	-63.59
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Br)=C(Cl)S2)=C1	REAL300012046013	0	34	0.0	-79.54	340.06	9.40	-70.14
CCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046014	0	47	0.0	-76.47	385.19	10.12	-66.35
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046015	1	50	0.0	-73.96	431.18	11.57	-62.39
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC=CC=C3O2)=C1	REAL300012046016	0	40	0.0	-79.03	340.21	9.62	-69.41
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3)O2)=C1	REAL300012046017	0	44	0.0	-77.75	372.58	10.98	-66.77
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1OC(C)C	REAL300012046018	0	51	0.0	-81.06	410.86	9.83	-71.23
CCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OCC	REAL300012046019	0	54	0.0	-80.93	436.28	10.93	-70.00
CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300012046020	0	42	0.0	-89.78	356.54	10.29	-79.49
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046021	0	47	0.0	-76.35	381.61	9.94	-66.41
CCCCCCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046022	0	59	0.0	-76.28	471.18	13.24	-63.04
CC(C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012046023	0	58	0.0	-73.61	445.25	13.47	-60.14
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1F	REAL300012046024	0	40	0.0	-79.96	339.06	9.79	-70.17
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C3NC=CC3=CC=C2)=C1	REAL300012046025	0	41	0.0	-77.18	343.69	9.10	-68.08
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Br)C=CS2)=C1	REAL300012046026	0	34	0.0	-68.48	322.01	8.73	-59.75
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2N2CCOCC2)=C1	REAL300012046027	0	50	0.0	-71.79	396.90	8.67	-63.12
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(F)=CC=C2Br)=C1	REAL300012046028	1	37	0.0	-71.04	335.02	9.71	-61.33
CC(C)CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046029	0	49	0.0	-73.60	393.48	11.78	-61.82
CC1=CC=C(C2=CC=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=C2)C=C1	REAL300012046030	0	50	0.0	-77.51	407.95	13.18	-64.33
COC1=CC=C(Br)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046031	1	41	0.0	-71.40	357.23	8.98	-62.42
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300012046032	0	43	0.0	-90.03	367.85	9.83	-80.20
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)=C1	REAL300012046033	0	37	0.0	-79.95	345.80	10.11	-69.84
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(F)=CC(Cl)=C2)=C1	REAL300012046034	0	37	0.0	-80.94	335.47	9.67	-71.27
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Br)=CO2)=C1	REAL300012046035	1	34	0.0	-77.15	314.79	7.87	-69.28
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046036	0	50	0.0	-76.00	408.40	13.18	-62.82
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OC(F)F)=C2)=C1	REAL300012046037	0	41	0.0	-79.29	351.59	8.68	-70.61
CCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OCC	REAL300012046038	0	51	0.0	-81.11	414.79	10.13	-70.98
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)C=C2F)=C1	REAL300012046039	0	37	0.0	-74.27	334.63	9.64	-64.63
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)=C1	REAL300012046040	0	40	0.0	-86.28	364.23	10.51	-75.77
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C=C2Br)=C1	REAL300012046041	1	37	0.0	-72.70	335.02	9.71	-62.99
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300012046042	0	41	0.0	-78.79	358.33	8.89	-69.90
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CC=C2F)=C1	REAL300012046043	0	37	0.0	-72.65	334.63	9.63	-63.02
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046044	0	51	0.0	-77.14	420.55	12.16	-64.98
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(F)=CC(F)=C2)=C1	REAL300012046045	0	37	0.0	-81.96	325.15	9.23	-72.73
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(Cl)=C2F)=C1	REAL300012046046	0	37	0.0	-78.63	333.07	9.64	-68.99
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C2=CC=CC=C12	REAL300012046047	0	47	0.0	-78.98	381.66	10.58	-68.40
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(C3=CC=CC=C3)C=NN2)=C1	REAL300012046048	0	44	0.0	-76.52	370.40	9.02	-67.50
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NNC=C2C2=CC=CC=C2)=C1	REAL300012046048	1	44	0.0	-70.55	370.73	9.05	-61.50
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(F)=C2F)=C1	REAL300012046049	0	37	0.0	-80.14	323.17	9.20	-70.94
CN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046050	1	43	0.0	-78.73	358.74	9.44	-69.29
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300012046051	0	40	0.0	-81.60	339.37	5.79	-75.81
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(Br)=C1O	REAL300012046052	1	42	0.0	-73.33	367.90	6.81	-66.52
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3OCCC3=C2)=C1	REAL300012046053	0	42	0.0	-79.19	348.22	8.94	-70.25
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC(Br)=C2)=C1	REAL300012046054	0	34	0.0	-76.93	323.99	8.78	-68.15
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)=C1	REAL300012046055	0	47	0.0	-77.49	386.55	12.50	-64.99
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)=C1	REAL300012046056	0	50	0.0	-70.41	417.08	10.66	-59.75
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)=C1	REAL300012046057	0	48	0.0	-79.89	386.25	9.00	-70.89
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C3C=CNC3=CC=C2)=C1	REAL300012046058	0	41	0.0	-73.27	343.51	9.11	-64.16
CC1=CC(F)=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046059	0	40	0.0	-78.75	333.57	9.79	-68.96
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Br)C(F)=C2)=C1	REAL300012046060	0	37	0.0	-84.21	339.34	9.76	-74.45
CC1=NC(C)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046061	0	39	0.0	-76.14	338.20	7.57	-68.57
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)=C1	REAL300012046062	0	46	0.0	-74.56	383.99	10.98	-63.58
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300012046063	0	46	0.0	-78.60	381.56	10.74	-67.86
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)=C1	REAL300012046064	0	46	0.0	-81.29	381.75	10.75	-70.54
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046065	0	52	0.0	-77.92	406.32	9.64	-68.28
CN1CCN(C2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=C2)CC1	REAL300012046066	1	54	0.0	-75.55	421.55	7.80	-67.75
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)=C1	REAL300012046067	0	46	0.0	-82.20	393.66	7.59	-74.61
CNC(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046068	0	44	0.0	-85.04	368.80	7.38	-77.66
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)=C1	REAL300012046069	0	44	0.0	-81.68	377.58	10.37	-71.31
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046070	0	50	0.0	-81.30	426.45	11.72	-69.58
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)=C1	REAL300012046071	0	44	0.0	-81.08	387.89	10.83	-70.25
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)=C1	REAL300012046072	0	44	0.0	-79.62	383.26	9.78	-69.84
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC=CC=C3C=C2)=C1	REAL300012046073	0	43	0.0	-77.26	358.44	11.35	-65.91
COC1=C2OC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CC2=CC=C1	REAL300012046074	0	44	0.0	-81.62	369.71	8.91	-72.71
CC(C)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300012046075	0	48	0.0	-90.25	397.37	11.59	-78.66
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Br)=C3OCOC3=C2)=C1	REAL300012046076	0	40	0.0	-84.12	359.69	8.37	-75.75
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046077	0	53	0.0	-77.33	431.16	11.56	-65.77
CCOC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1OCC(C)C	REAL300012046078	0	57	0.0	-80.52	456.39	11.61	-68.91
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Br)=CC=C2F)=C1	REAL300012046079	0	37	0.0	-72.64	339.19	9.74	-62.90
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Br)C=C2F)=C1	REAL300012046080	0	37	0.0	-74.43	339.19	9.75	-64.68
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC(OC)=C1	REAL300012046081	0	45	0.0	-76.64	371.33	7.70	-68.94
COC1=CC2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=C2C=C1	REAL300012046082	0	47	0.0	-81.26	387.79	10.65	-70.61
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Br)=CS2)=C1	REAL300012046084	0	34	0.0	-75.44	324.03	8.82	-66.62
CCCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OCC	REAL300012046085	0	57	0.0	-80.93	457.78	11.71	-69.22
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046086	0	50	0.0	-80.85	409.72	11.20	-69.65
COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1OC(F)F	REAL300012046087	0	45	0.0	-72.65	379.18	8.68	-63.97
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(CSC(F)F)O2)=C1	REAL300012046088	0	41	0.0	-78.52	372.86	9.68	-68.84
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC=CC=C3NC2=O)=C1	REAL300012046089	0	43	0.0	-80.10	362.68	8.15	-71.95
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C(Br)=C2)=C1	REAL300012046091	0	37	0.0	-83.99	339.34	9.75	-74.24
CC1=CC=C(COC2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=C2)C=C1	REAL300012046092	0	54	0.0	-77.89	445.01	13.06	-64.83
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(N3CCCCC3)C=C2)=C1	REAL300012046093	0	52	0.0	-74.52	405.27	10.38	-64.14
CCCCCCOC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046094	0	56	0.0	-74.27	449.68	12.46	-61.81
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1SC	REAL300012046095	0	45	0.0	-81.30	381.25	9.44	-71.86
N#CCCCOC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046096	0	48	0.0	-80.91	406.04	10.64	-70.27
CCCCCOC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1OC	REAL300012046097	0	57	0.0	-80.91	457.43	11.57	-69.34
CCC(C)OC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1OC	REAL300012046098	0	54	0.0	-80.75	431.61	10.63	-70.12
CCCCCCCOC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046099	0	59	0.0	-74.29	471.18	13.24	-61.05
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OCCCC#N	REAL300012046100	0	52	0.0	-90.35	435.29	10.53	-79.82
C=C(C)COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1OC	REAL300012046101	0	52	0.0	-81.70	424.92	10.56	-71.14
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OCCC(C)C	REAL300012046102	0	57	0.0	-81.00	453.50	11.32	-69.68
C=CCC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC(OC)=C1O	REAL300012046103	0	49	0.0	-81.39	407.20	8.24	-73.15
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)=C1	REAL300012046104	0	44	0.0	-84.41	371.73	9.03	-75.38
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046105	1	46	0.0	-80.82	390.53	10.06	-70.76
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046106	1	47	0.0	-75.73	409.75	7.61	-68.12
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)=C1	REAL300012046108	1	43	0.0	-74.61	375.49	9.87	-64.74
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)=C1	REAL300012046109	0	50	0.0	-82.59	406.38	8.23	-74.36
CN1C=NC2=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CC=C21	REAL300012046110	0	43	0.0	-78.75	360.72	10.44	-68.31
CCN1N=C(C)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1C	REAL300012046111	0	46	0.0	-78.38	375.00	8.70	-69.68
C=CCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1Cl	REAL300012046112	0	45	0.0	-81.71	392.62	10.45	-71.26
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)=C1	REAL300012046113	0	43	0.0	-77.87	377.36	10.12	-67.75
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C2OC(C)CC2=C1	REAL300012046114	0	49	0.0	-71.35	398.76	8.97	-62.38
CC1(C)CC2=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CC=C2O1	REAL300012046115	0	48	0.0	-78.21	389.75	10.34	-67.87
O=C([O-])COC1=CC=CC(C[NH2+]CC2=COC(C3=CC=CC=C3)=N2)=C1	REAL300012046116	1	43	0.0	-78.51	368.99	7.53	-70.98
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC(C3=CC=CS3)=N2)=C1	REAL300012046117	1	40	0.0	-76.22	368.80	8.92	-67.30
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046118	0	47	0.0	-79.72	390.19	9.62	-70.10
CC1=CC=C(F)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046119	0	40	0.0	-73.29	338.26	9.82	-63.47
CC1=CC=C(F)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046120	0	40	0.0	-77.74	333.57	9.79	-67.95
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)=C1	REAL300012046121	0	40	0.0	-82.19	367.79	10.59	-71.60
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Br)C=C2Cl)=C1	REAL300012046122	0	37	0.0	-72.76	346.32	10.15	-62.61
CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(Br)=C1	REAL300012046123	0	40	0.0	-67.82	350.03	10.31	-57.51
CC(C)COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046124	0	50	0.0	-76.20	405.29	10.82	-65.38
COCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046125	0	48	0.0	-78.30	397.31	8.59	-69.71
CC1(C)CCCC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300012046126	0	49	0.0	-72.39	367.32	10.33	-62.06
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)=C1	REAL300012046127	0	41	0.0	-82.04	367.62	9.22	-72.82
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)=C1	REAL300012046128	1	45	0.0	-82.16	405.37	10.55	-71.61
CN1N=C(C2=CC=CC=C2)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1Cl	REAL300012046129	0	47	0.0	-71.95	407.01	10.60	-61.35
CC1=CCCC(C)C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046130	0	47	0.0	-70.90	356.23	10.47	-60.43
COC1=CC2=C(C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1)OCO2	REAL300012046131	0	44	0.0	-75.57	366.50	7.12	-68.45
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=CC3=CC=CC=C32)=C1	REAL300012046132	0	42	0.0	-78.53	348.76	9.46	-69.07
CC(C)COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046133	0	50	0.0	-74.15	405.29	10.82	-63.33
CC1=CC(Cl)=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046134	0	40	0.0	-77.59	343.89	10.23	-67.36
O=C([O-])COC1=CC=CC(C[NH2+]CC=CC2=CC=C(F)C=C2)=C1	REAL300012046135	0	41	0.0	-78.60	349.79	10.46	-68.14
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)N=C2)=C1	REAL300012046136	0	36	0.0	-84.53	324.04	7.73	-76.80
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=CC(Br)=C2)=C1	REAL300012046137	0	36	0.0	-80.70	328.50	7.91	-72.79
CN1N=NC2=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CC=C21	REAL300012046138	0	42	0.0	-85.53	356.32	7.55	-77.98
CC1(C)CC2=CC=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=C2O1	REAL300012046139	0	48	0.0	-68.35	389.54	10.31	-58.04
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Br)=CC3=C2OCC3)=C1	REAL300012046140	0	42	0.0	-71.81	369.39	9.55	-62.26
COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300012046141	0	40	0.0	-77.46	339.50	5.76	-71.70
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300012046142	0	47	0.0	-75.68	391.75	10.25	-65.43
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300012046143	0	44	0.0	-76.25	370.69	10.29	-65.96
CC(C)N1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300012046144	0	43	0.0	-75.76	355.37	8.29	-67.47
CC1=C(Br)SC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046145	0	37	0.0	-77.92	343.83	9.53	-68.39
CC1=NC2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=C2C=C1	REAL300012046146	0	45	0.0	-82.40	375.03	10.07	-72.33
COC1=CC=C(OC2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=C2)C=C1	REAL300012046147	0	52	0.0	-82.16	430.52	11.23	-70.93
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NC=CC=C2C(F)(F)F)=C1	REAL300012046148	1	39	0.0	-68.54	336.24	8.17	-60.37
CC1=CC(C)=CC(C2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=C2)=C1	REAL300012046149	0	53	0.0	-77.49	429.35	13.83	-63.66
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1N1C=NC=N1	REAL300012046150	0	46	0.0	-85.22	386.63	12.63	-72.59
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC(F)=CC=C3O2)=C1	REAL300012046151	0	40	0.0	-81.34	346.63	9.69	-71.65
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OCC(F)F)C=C2)=C1	REAL300012046152	0	44	0.0	-80.79	376.70	9.64	-71.15
COCC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046153	0	44	0.0	-75.70	367.39	8.82	-66.88
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046154	0	47	0.0	-81.68	407.47	11.42	-70.26
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)=C1	REAL300012046155	0	51	0.0	-76.44	430.02	12.44	-64.00
CCCCOC1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046156	0	50	0.0	-68.26	405.26	10.97	-57.29
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)=C1	REAL300012046157	0	48	0.0	-80.71	412.93	13.20	-67.51
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C(OC(F)F)C=C1C	REAL300012046158	0	47	0.0	-74.09	388.56	9.94	-64.15
COC1=CC(C)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC	REAL300012046159	0	48	0.0	-80.17	385.82	8.92	-71.25
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046160	1	43	0.0	-86.09	376.39	9.98	-76.11
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046162	1	46	0.0	-79.57	396.05	8.58	-70.99
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CNN=C2C2=CSC=C2)=C1	REAL300012046163	0	41	0.0	-79.60	359.24	7.97	-71.63
CSC1=CC(Br)=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046164	0	41	0.0	-71.52	369.33	10.64	-60.88
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)=C1	REAL300012046165	0	47	0.0	-79.52	402.99	10.83	-68.69
CC1CCC2=C(C1)SC(C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1)=N2	REAL300012046166	1	46	0.0	-71.72	381.67	9.45	-62.27
CC(C)(C)C1CCC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300012046167	0	55	0.0	-72.17	395.12	11.19	-60.98
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046168	0	51	0.0	-71.50	414.60	11.88	-59.62
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046169	0	51	0.0	-71.99	414.58	11.87	-60.12
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046170	0	50	0.0	-75.71	409.84	10.11	-65.60
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OCC3CC3)C=C2)=C1	REAL300012046171	0	48	0.0	-76.74	395.36	10.90	-65.84
COC1=CC(Cl)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1Cl	REAL300012046172	0	41	0.0	-75.36	369.71	9.43	-65.93
CC(C)CC1=NC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046173	0	45	0.0	-75.36	380.18	9.28	-66.08
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3=CC=CS3)S2)=C1	REAL300012046174	0	40	0.0	-78.22	369.23	9.19	-69.03
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3=CSC=C3)S2)=C1	REAL300012046175	0	40	0.0	-77.76	368.49	9.06	-68.70
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)S2)O1	REAL300012046176	0	43	0.0	-80.48	382.05	9.02	-71.46
CC1=CC(Br)=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046177	0	40	0.0	-77.73	348.46	10.33	-67.40
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)C(Br)=C2)=C1	REAL300012046178	0	37	0.0	-82.71	348.46	10.17	-72.54
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CNN=C2C2=CC=CC=C2F)=C1	REAL300012046179	0	44	0.0	-80.31	375.14	9.04	-71.27
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)=C1	REAL300012046180	0	46	0.0	-76.64	387.28	10.78	-65.86
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Cl)OC3=CC=CC=C32)=C1	REAL300012046181	0	40	0.0	-73.80	356.46	10.05	-63.75
COCCOC1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046182	0	48	0.0	-68.38	395.89	8.66	-59.72
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)C=C2Br)=C1	REAL300012046183	1	37	0.0	-71.88	345.34	10.16	-61.72
COC1=C(Br)C=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046184	0	41	0.0	-73.44	362.21	9.15	-64.29
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NC3=C(CCC3)S2)=C1	REAL300012046185	1	40	0.0	-72.48	342.96	8.26	-64.22
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC=CS2)=N1	REAL300012046186	0	44	0.0	-72.41	379.02	9.54	-62.87
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CC=C2OC2CCCC2)=C1	REAL300012046187	0	51	0.0	-71.31	422.27	11.87	-59.44
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Cl)C=CC=C2OC2=CC=CC=C2)=C1	REAL300012046188	1	48	0.0	-65.73	415.45	12.45	-53.28
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046189	0	56	0.0	-78.03	437.34	12.68	-65.35
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046190	0	41	0.0	-76.77	341.83	8.39	-68.38
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)=C1	REAL300012046191	0	44	0.0	-79.46	378.98	11.05	-68.41
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046192	0	45	0.0	-75.28	379.17	8.89	-66.39
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3OCCOC3=C2)=C1	REAL300012046193	0	43	0.0	-78.79	356.83	8.25	-70.54
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(Br)=C2)=C1	REAL300012046194	0	37	0.0	-76.29	333.62	9.71	-66.58
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(Cl)=C2)=C1	REAL300012046195	0	37	0.0	-76.28	329.06	9.60	-66.68
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2)=C1	REAL300012046196	0	44	0.0	-81.78	371.16	10.31	-71.47
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(CC3=CC=CC=C3Cl)N=C2)=C1	REAL300012046197	0	47	0.0	-77.53	409.19	11.24	-66.29
CC(C)(C)N1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300012046198	0	46	0.0	-75.25	375.09	8.91	-66.34
CC(=O)NC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046199	0	44	0.0	-79.64	368.69	7.98	-71.66
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2Cl)=C1	REAL300012046200	0	37	0.0	-72.06	324.21	9.58	-62.48
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300012046201	0	39	0.0	-86.33	340.55	9.77	-76.56
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300012046202	0	39	0.0	-91.17	340.55	9.77	-81.40
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=CC=CC=C32)=C1	REAL300012046203	0	43	0.0	-76.14	353.29	11.23	-64.91
CN(C)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046204	0	45	0.0	-73.59	363.84	9.50	-64.09
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046205	0	51	0.0	-72.62	407.46	11.40	-61.22
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Br)C=C2)=C1	REAL300012046206	0	37	0.0	-78.67	333.62	9.72	-68.95
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)C=C2)=C1	REAL300012046207	0	37	0.0	-78.53	329.06	9.61	-68.92
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC(OC)=C1OC	REAL300012046208	0	49	0.0	-85.48	404.24	8.21	-77.27
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(F)C=CC=C2Cl)=C1	REAL300012046209	1	37	0.0	-67.02	331.69	9.52	-57.50
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2OC(F)F)=C1	REAL300012046210	0	41	0.0	-74.38	350.16	8.74	-65.64
COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1OC	REAL300012046211	0	45	0.0	-72.04	371.06	8.36	-63.68
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)C=C2Cl)=C1	REAL300012046212	0	37	0.0	-72.56	341.76	10.05	-62.51
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(N3CCOCC3)C=C2)=C1	REAL300012046213	0	50	0.0	-76.58	396.33	7.93	-68.65
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC	REAL300012046214	0	45	0.0	-81.19	371.08	8.29	-72.90
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(OC)=C1	REAL300012046215	0	45	0.0	-71.30	369.94	7.75	-63.55
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300012046216	0	40	0.0	-81.56	351.06	10.10	-71.46
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C=C2F)=C1	REAL300012046217	0	37	0.0	-75.08	324.31	9.19	-65.89
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(Cl)=C2Cl)=C1	REAL300012046218	0	37	0.0	-76.88	339.39	10.03	-66.85
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)C(Cl)=C2)=C1	REAL300012046219	0	37	0.0	-82.69	344.25	10.06	-72.63
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC(F)F)C=C2)=C1	REAL300012046220	0	41	0.0	-79.70	351.59	8.68	-71.02
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(F)(F)F)=C1	REAL300012046221	0	40	0.0	-73.07	340.86	10.18	-62.89
CCCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046222	0	50	0.0	-76.43	406.69	10.90	-65.53
CC(C)CCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046223	0	53	0.0	-76.33	424.25	11.42	-64.91
CCCCCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046224	0	56	0.0	-76.27	449.68	12.46	-63.81
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)=C1	REAL300012046225	0	48	0.0	-79.46	401.07	11.93	-67.53
CCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(OCCC)=C1	REAL300012046226	0	57	0.0	-70.60	456.64	11.21	-59.39
COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046227	0	41	0.0	-74.75	341.83	8.39	-66.36
CC(=CC1=CC=CC=C1)C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046228	0	44	0.0	-74.75	360.52	10.87	-63.88
CCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC	REAL300012046229	0	48	0.0	-81.20	392.93	9.21	-71.99
CC(C)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046230	0	46	0.0	-73.59	372.55	11.02	-62.57
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2)=C1	REAL300012046231	0	40	0.0	-78.52	351.05	10.09	-68.43
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(OC)=C1OC	REAL300012046232	0	49	0.0	-76.01	404.21	8.30	-67.71
CCOC1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046233	0	44	0.0	-68.02	362.27	9.39	-58.63
CCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046234	0	44	0.0	-76.61	363.69	9.32	-67.29
COC1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046235	0	41	0.0	-68.55	340.42	8.47	-60.08
COC1=CC=C(Br)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046236	0	41	0.0	-71.53	361.77	9.07	-62.46
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC(Br)=C1O	REAL300012046237	0	42	0.0	-84.34	373.00	6.87	-77.47
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300012046238	0	47	0.0	-77.20	386.54	12.51	-64.69
COC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300012046239	0	47	0.0	-70.68	382.71	10.57	-60.11
CSC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046240	0	41	0.0	-77.17	352.54	10.12	-67.05
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Cl)C=CC=C2Cl)=C1	REAL300012046241	1	37	0.0	-65.83	340.43	9.91	-55.92
COC1=CC(OC)=C(OC)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046242	0	49	0.0	-74.97	399.14	7.66	-67.31
CC1=CC(C)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1	REAL300012046243	0	46	0.0	-72.96	366.91	10.82	-62.14
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(F)C=CC=C2F)=C1	REAL300012046244	1	37	0.0	-68.26	322.95	9.14	-59.12
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C(F)=C2)=C1	REAL300012046245	0	37	0.0	-85.79	325.04	9.22	-76.57
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046246	1	47	0.0	-75.94	405.70	11.08	-64.86
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)=C1	REAL300012046247	0	51	0.0	-75.47	423.60	12.37	-63.10
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2Br)=C1	REAL300012046248	0	37	0.0	-71.67	327.78	9.68	-61.99
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1O	REAL300012046249	0	42	0.0	-81.01	352.59	6.23	-74.78
CC1=NN(C)C(C)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046250	0	43	0.0	-76.82	354.22	7.87	-68.95
CC1=NN(C)C(Cl)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046251	1	40	0.0	-73.51	350.48	7.73	-65.78
CCC1=NN(C)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046252	0	43	0.0	-77.63	356.27	8.23	-69.40
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(CC(F)(F)F)N=C2)=C1	REAL300012046253	0	40	0.0	-84.09	354.55	8.26	-75.83
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300012046254	0	49	0.0	-75.19	381.33	9.28	-65.91
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2I)=C1	REAL300012046255	1	37	0.0	-71.01	333.08	10.13	-60.88
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(N3CCCCC3)C([N+](=O)[O-])=C2)=C1	REAL300012046256	0	54	0.0	-92.08	435.34	12.34	-79.74
CN(CCC#N)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046257	0	49	0.0	-78.68	406.50	10.95	-67.73
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)=C1	REAL300012046258	0	47	0.0	-74.97	392.44	10.84	-64.13
CCOC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1OC	REAL300012046259	0	48	0.0	-71.87	392.97	9.28	-62.59
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OCC(N)=O	REAL300012046260	0	49	0.0	-93.82	409.66	6.25	-87.57
C#CCOC1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046261	0	43	0.0	-68.12	368.05	9.93	-58.19
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC2=C1OCO2	REAL300012046262	0	44	0.0	-87.03	367.92	7.04	-79.99
COC1=CC2=C(C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1)OC(C)C2	REAL300012046264	0	49	0.0	-71.54	397.48	9.06	-62.48
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1C	REAL300012046266	0	44	0.0	-77.07	361.91	9.14	-67.93
CC(C)(C)C1=NNC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046267	0	46	0.0	-75.98	360.86	7.87	-68.11
COC1=CC=CC(OC)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046268	1	45	0.0	-64.91	368.64	7.81	-57.10
COC1=CC=C(F)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046269	0	41	0.0	-73.53	346.33	8.44	-65.09
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(I)=C2)=C1	REAL300012046270	0	37	0.0	-75.99	340.11	10.19	-65.80
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(I)C=C2)=C1	REAL300012046271	0	37	0.0	-78.55	340.11	10.20	-68.35
CSC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046272	0	38	0.0	-75.75	345.85	9.42	-66.33
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046273	0	50	0.0	-66.51	401.45	12.92	-53.59
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=C2OCO3)=C1	REAL300012046274	0	40	0.0	-73.41	338.34	7.75	-65.66
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Cl)C=CS2)=C1	REAL300012046275	0	34	0.0	-68.69	317.84	8.65	-60.04
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046276	0	43	0.0	-87.53	373.01	6.62	-80.91
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)=C1	REAL300012046277	0	47	0.0	-78.10	403.27	13.03	-65.07
COC1=CC=C(F)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046278	0	41	0.0	-72.50	346.87	8.53	-63.97
NC(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046279	0	41	0.0	-84.80	346.87	5.88	-78.92
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1F	REAL300012046280	0	41	0.0	-84.03	348.06	8.46	-75.57
COC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046281	0	41	0.0	-71.48	357.20	8.97	-62.51
COC(=O)C1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CN1C	REAL300012046282	0	44	0.0	-78.83	371.76	9.29	-69.54
CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1Cl	REAL300012046283	0	40	0.0	-76.11	347.79	10.20	-65.91
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1C	REAL300012046284	0	44	0.0	-76.94	361.91	9.14	-67.80
CC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1F	REAL300012046285	0	40	0.0	-69.99	338.22	9.77	-60.22
N#CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(F)=C1	REAL300012046286	0	38	0.0	-81.03	338.71	9.51	-71.52
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)=C1	REAL300012046287	0	50	0.0	-78.37	416.37	10.68	-67.69
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Br)C=N2)=C1	REAL300012046288	0	36	0.0	-78.18	328.63	7.87	-70.31
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(N3CCOCC3)S2)=C1	REAL300012046289	0	46	0.0	-78.23	386.02	6.41	-71.82
C#CCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046290	0	46	0.0	-77.61	390.97	10.64	-66.97
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN3C=CC=CC3=N2)=C1	REAL300012046291	1	40	0.0	-77.35	339.31	9.61	-67.74
CC1=NN(C)C2=NC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=C12	REAL300012046292	0	45	0.0	-87.12	378.60	8.82	-78.30
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC(C3CC3)=N2)=C1	REAL300012046293	1	40	0.0	-73.79	348.78	8.32	-65.47
CCC1=NC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CS1	REAL300012046294	1	39	0.0	-73.30	340.38	7.57	-65.73
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN3C=C(Cl)C=CC3=N2)=C1	REAL300012046295	1	40	0.0	-77.76	356.03	10.11	-67.65
CCOCC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1OC	REAL300012046296	0	51	0.0	-76.37	415.92	9.31	-67.06
NC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046297	0	41	0.0	-78.18	346.88	5.87	-72.31
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NC=CN2CC(F)(F)F)=C1	REAL300012046298	1	40	0.0	-76.15	349.85	8.58	-67.57
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC(C3=CC=C4OCOC4=C3)=N2)=C1	REAL300012046299	1	46	0.0	-79.82	403.22	8.55	-71.27
O=C([O-])COC1=CC=CC(C[NH2+]CC2CCCCCCC2)=C1	REAL300012046300	0	49	0.0	-72.42	355.01	10.29	-62.13
COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1F	REAL300012046301	0	41	0.0	-72.47	347.21	8.43	-64.04
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(F)C=CC=C2Br)=C1	REAL300012046302	1	37	0.0	-66.37	335.72	9.61	-56.76
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3CCCC3=C2)=C1	REAL300012046303	0	44	0.0	-74.33	357.84	11.00	-63.33
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC=C2Br)=C1	REAL300012046304	1	34	0.0	-68.42	320.63	8.62	-59.80
CC(C)COC1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046305	0	50	0.0	-68.35	403.87	10.88	-57.47
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NC3=C(CCCC3)S2)=C1	REAL300012046306	1	43	0.0	-71.72	360.86	8.84	-62.88
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(F)=CC(Br)=C2)=C1	REAL300012046307	0	37	0.0	-80.99	340.04	9.78	-71.21
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC=NC=C3C=C2)=C1	REAL300012046308	0	42	0.0	-82.59	353.33	9.58	-73.01
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(F)=C2Br)=C1	REAL300012046309	1	37	0.0	-77.42	333.49	9.72	-67.70
COC1=CC(F)=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046310	0	41	0.0	-78.89	348.25	8.46	-70.43
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(Br)=C2F)=C1	REAL300012046311	0	37	0.0	-78.83	337.48	9.75	-69.08
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300012046312	0	47	0.0	-81.61	383.96	9.05	-72.56
CS(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046313	0	42	0.0	-85.26	364.54	7.69	-77.57
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3CCCCC3=C2)=C1	REAL300012046314	0	47	0.0	-74.04	375.03	11.59	-62.45
COC(=O)C1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CN1	REAL300012046315	0	41	0.0	-79.39	353.99	7.53	-71.86
COCC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300012046316	0	41	0.0	-77.08	348.66	7.12	-69.96
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1OC	REAL300012046317	0	48	0.0	-79.15	386.08	9.00	-70.15
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC(Cl)=C2Cl)=C1	REAL300012046318	1	34	0.0	-72.64	333.30	9.10	-63.54
CC1=NC(F)=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046319	0	39	0.0	-84.19	328.68	7.84	-76.35
COC1=CC(C)=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046320	0	44	0.0	-68.56	361.88	9.12	-59.44
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C(F)(F)F)S2)=C1	REAL300012046321	1	36	0.0	-84.28	338.40	7.51	-76.77
CS(=O)(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046322	0	43	0.0	-84.39	373.03	6.61	-77.78
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CS2)=C1	REAL300012046323	0	34	0.0	-75.75	319.44	8.71	-67.04
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3CCCC3)C=C2)=C1	REAL300012046324	0	50	0.0	-73.63	396.50	12.31	-61.32
CC1=CC(Cl)=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046325	0	40	0.0	-78.03	350.47	10.26	-67.77
COCC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046326	0	44	0.0	-76.35	367.39	8.83	-67.52
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NC=CN2C2=CC=CC=C2)=C1	REAL300012046327	1	44	0.0	-72.01	369.79	10.77	-61.24
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3CC3)C=C2)=C1	REAL300012046328	0	44	0.0	-74.40	361.55	11.20	-63.20
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NN2C2CCCC2)=C1	REAL300012046330	0	47	0.0	-80.65	378.47	9.59	-71.06
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046331	0	47	0.0	-72.42	386.24	10.73	-61.69
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C(F)F)C=C2)=C1	REAL300012046332	0	40	0.0	-78.91	344.51	9.96	-68.95
COC1=CC(C)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=N1	REAL300012046333	0	46	0.0	-80.74	373.18	6.85	-73.89
COC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046334	1	41	0.0	-64.57	354.54	8.87	-55.70
CCC1=CC(OC)=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046335	0	47	0.0	-75.64	375.29	9.68	-65.96
CC1=NC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)N1C1=CC=CC=C1	REAL300012046336	0	47	0.0	-73.94	391.36	11.37	-62.57
CCCN1N=C(C)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1C	REAL300012046337	0	49	0.0	-76.31	397.53	9.49	-66.82
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3CC3)N=C2)=C1	REAL300012046338	0	42	0.0	-82.44	354.33	8.75	-73.69
COCCN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300012046339	0	44	0.0	-77.85	370.35	6.81	-71.04
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3CCC3)C=C2)=C1	REAL300012046340	0	47	0.0	-73.82	378.09	11.68	-62.14
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300012046341	0	47	0.0	-80.00	386.81	10.70	-69.30
CCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1F	REAL300012046342	0	44	0.0	-83.63	369.91	9.40	-74.23
COC1=CC=CC2=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=CC=C12	REAL300012046343	0	47	0.0	-79.23	381.72	10.58	-68.65
N#CC1=CSC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046344	0	35	0.0	-82.70	323.59	8.62	-74.08
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1C#N	REAL300012046345	0	42	0.0	-90.26	362.04	8.81	-81.45
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046346	0	47	0.0	-78.16	387.65	10.93	-67.23
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1C#N	REAL300012046348	0	41	0.0	-86.26	352.34	9.99	-76.27
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)=C1	REAL300012046349	0	44	0.0	-81.69	376.24	7.40	-74.29
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(Br)=C1	REAL300012046350	1	41	0.0	-70.69	358.09	8.93	-61.76
CC(C)CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300012046351	0	46	0.0	-77.92	378.01	9.30	-68.62
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2C2CC2)=C1	REAL300012046352	0	44	0.0	-73.07	355.35	11.10	-61.97
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CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046354	0	52	0.0	-77.52	422.03	11.80	-65.72
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046355	0	47	0.0	-63.79	401.54	11.79	-52.00
CCC1=CN=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046356	1	39	0.0	-71.63	340.52	7.82	-63.81
CN1C(=O)CCC2=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CC=C21	REAL300012046357	0	48	0.0	-85.05	388.20	9.99	-75.06
CC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046358	0	44	0.0	-74.30	371.63	9.41	-64.89
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)=C1	REAL300012046359	0	43	0.0	-78.72	394.08	10.64	-68.08
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)=C1	REAL300012046360	0	43	0.0	-79.87	381.87	10.36	-69.51
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046361	0	54	0.0	-71.30	437.94	12.59	-58.71
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)=C1	REAL300012046362	0	48	0.0	-71.23	410.73	11.48	-59.75
CC1=NN(C(C)C)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046363	0	46	0.0	-76.60	375.02	8.88	-67.72
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3CCCC3)S2)=C1	REAL300012046364	0	46	0.0	-75.45	384.24	9.73	-65.72
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)=C1	REAL300012046365	0	43	0.0	-79.32	385.52	10.34	-68.98
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3CC3)S2)=C1	REAL300012046366	0	40	0.0	-76.03	350.25	8.74	-67.29
CC(C)C1=NC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046367	0	42	0.0	-75.51	361.30	8.42	-67.09
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3=CC=CO3)S2)=C1	REAL300012046368	0	40	0.0	-80.56	360.13	8.20	-72.36
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Br)C(Cl)=C2)=C1	REAL300012046369	0	37	0.0	-82.81	348.46	10.17	-72.64
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)=C1	REAL300012046370	0	49	0.0	-77.45	421.92	11.62	-65.83
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=C2)C=N1	REAL300012046371	0	47	0.0	-79.55	392.45	10.40	-69.15
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(CC(F)F)N=C2)=C1	REAL300012046372	0	40	0.0	-80.22	349.67	8.05	-72.17
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)=C1	REAL300012046373	0	48	0.0	-80.01	407.44	12.01	-68.00
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC=C(F)C=C2)=N1	REAL300012046374	0	47	0.0	-78.07	398.18	10.33	-67.74
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC=C(C#N)C=C2)=N1	REAL300012046375	0	48	0.0	-83.50	412.61	10.65	-72.85
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)N1	REAL300012046376	0	45	0.0	-91.19	369.96	7.25	-83.94
NC(=O)C1=CSC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046377	0	38	0.0	-78.95	338.67	4.96	-73.99
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300012046378	0	51	0.0	-82.22	420.70	11.52	-70.70
CCC1=NN(C)C(CC)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046379	0	49	0.0	-76.69	397.20	9.32	-67.37
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3CCC3)S2)=C1	REAL300012046380	0	43	0.0	-75.51	366.89	9.21	-66.30
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3CCCO3)S2)=C1	REAL300012046381	0	44	0.0	-78.26	376.07	7.33	-70.93
CN1N=C(Br)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046383	0	37	0.0	-84.20	334.67	7.16	-77.04
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)S2)C=N1	REAL300012046384	0	44	0.0	-78.78	386.29	9.78	-69.00
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3OCCCCOC3=C2)=C1	REAL300012046385	0	49	0.0	-80.82	391.39	9.97	-70.85
CCOC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046386	0	44	0.0	-73.34	379.79	9.99	-63.35
CCC1=CC=CC(F)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046387	0	43	0.0	-71.89	352.92	10.37	-61.52
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C(Cl)=C2Cl)=C1	REAL300012046388	1	37	0.0	-82.18	345.24	10.08	-72.10
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NN(C(F)F)C=C2)=C1	REAL300012046389	1	37	0.0	-78.62	327.80	6.95	-71.67
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046390	0	48	0.0	-79.64	397.91	9.48	-70.16
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)=C1	REAL300012046391	1	41	0.0	-69.25	362.30	8.97	-60.28
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)=C1	REAL300012046392	0	44	0.0	-83.13	374.95	10.07	-73.06
CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CN(C)N=C2)=C1	REAL300012046393	0	50	0.0	-71.62	410.37	10.95	-60.67
CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC=NN2C)=C1	REAL300012046394	0	50	0.0	-69.88	407.95	10.65	-59.23
CC(C)C1=CN=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046395	1	42	0.0	-71.48	360.89	8.45	-63.03
CC1=CC(Br)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1Cl	REAL300012046396	1	40	0.0	-72.31	363.24	10.77	-61.54
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)=C1	REAL300012046397	1	47	0.0	-73.93	411.56	11.07	-62.86
CC(C)(C)C1=CN=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046398	1	45	0.0	-71.32	378.67	8.89	-62.43
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(C3CC3)N=CS2)=C1	REAL300012046399	0	40	0.0	-76.95	347.80	8.53	-68.42
N#CCCN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC=NC=C2)=N1	REAL300012046400	0	50	0.0	-84.71	429.11	9.88	-74.83
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)=C1	REAL300012046401	0	43	0.0	-69.43	373.42	12.71	-56.72
COC(=O)C1=C(C)N(C)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046402	0	47	0.0	-83.67	390.38	9.60	-74.07
COCCCN1N=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046403	0	47	0.0	-82.21	385.21	7.46	-74.75
CC1=CC(F)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(Cl)=C1	REAL300012046404	1	40	0.0	-66.95	353.10	10.19	-56.76
COCCOCC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046405	0	51	0.0	-78.13	422.87	9.06	-69.07
CSCC1=CN=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046406	1	40	0.0	-73.70	363.75	8.26	-65.44
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC=C2C(F)(F)F)=C1	REAL300012046407	0	37	0.0	-67.56	332.25	9.07	-58.49
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)SC2=C(Cl)C=CC=C12	REAL300012046408	0	43	0.0	-78.81	382.80	11.66	-67.15
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)=C1	REAL300012046410	0	51	0.0	-79.67	435.76	11.50	-68.17
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C3CC3)=C2)=C1	REAL300012046411	0	44	0.0	-74.46	361.54	11.19	-63.27
N#CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1F	REAL300012046412	0	38	0.0	-91.94	339.09	9.53	-82.41
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)=C1	REAL300012046413	0	40	0.0	-87.88	351.93	8.20	-79.68
CC1=CC(F)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(F)=C1	REAL300012046414	1	40	0.0	-68.07	344.36	9.81	-58.26
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300012046415	0	47	0.0	-73.63	396.35	9.52	-64.11
CC(C)CN1N=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046416	0	46	0.0	-79.44	369.92	9.16	-70.28
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Br)=CN=C2Cl)=C1	REAL300012046417	1	36	0.0	-78.27	340.59	8.33	-69.94
COC(=O)C1=C(C)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CN1	REAL300012046418	0	44	0.0	-80.01	369.95	8.12	-71.89
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)S2)C=C1C	REAL300012046419	0	49	0.0	-77.93	415.73	11.32	-66.61
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046420	0	47	0.0	-84.20	395.21	11.05	-73.15
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046421	0	47	0.0	-81.64	402.93	11.59	-70.05
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046422	0	50	0.0	-80.53	412.20	11.58	-68.95
CC(C)(C#N)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046423	0	47	0.0	-79.03	388.94	11.05	-67.98
CC(C)C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046424	0	46	0.0	-72.68	366.15	10.88	-61.80
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NN3CCCCC3=C2)=C1	REAL300012046425	1	44	0.0	-73.63	356.93	8.43	-65.20
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=NN2C2=CC=CC=C2)=C1	REAL300012046426	0	43	0.0	-84.29	362.65	8.73	-75.56
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CN=CC=C3O2)=C1	REAL300012046427	0	39	0.0	-82.76	334.94	7.89	-74.87
COC1=CC(OC)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1F	REAL300012046428	0	45	0.0	-76.39	376.15	7.83	-68.56
COC1=CC(F)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC	REAL300012046429	0	45	0.0	-78.97	375.58	8.35	-70.62
CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(Cl)=C1	REAL300012046430	0	40	0.0	-68.40	346.44	10.20	-58.20
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046431	0	50	0.0	-80.68	412.28	11.57	-69.11
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(F)=C1	REAL300012046432	0	41	0.0	-73.04	347.38	8.41	-64.63
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=C2CCC3)=C1	REAL300012046433	0	44	0.0	-74.34	356.54	10.92	-63.42
COC1=CC=CC(F)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046434	1	41	0.0	-65.81	345.80	8.48	-57.33
CCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1	REAL300012046435	0	50	0.0	-75.86	400.00	10.74	-65.12
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC=NC=C3S2)=C1	REAL300012046436	0	39	0.0	-81.84	344.46	8.85	-72.99
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C3CCCN3N=C2)=C1	REAL300012046437	0	41	0.0	-79.05	338.80	7.70	-71.35
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC(Br)=CC=C3O2)=C1	REAL300012046438	0	40	0.0	-80.62	361.50	10.23	-70.39
CCC1=C2OC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CC2=CC=C1	REAL300012046439	0	46	0.0	-78.73	383.11	11.05	-67.68
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NN2CC2CC2)=C1	REAL300012046441	0	44	0.0	-78.78	361.85	9.15	-69.63
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OC3CC3)=C2F)=C1	REAL300012046442	0	45	0.0	-72.85	378.25	10.10	-62.75
CCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1	REAL300012046443	0	47	0.0	-76.00	378.51	9.95	-66.05
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(F)=C2OC(F)F)=C1	REAL300012046444	0	41	0.0	-75.35	356.56	8.81	-66.54
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(F)=CC=C2OC(F)F)=C1	REAL300012046445	0	41	0.0	-77.98	356.62	8.80	-69.18
COC1=NC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046446	0	40	0.0	-71.74	338.05	5.88	-65.86
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C3CCCC3)=C2)=C1	REAL300012046447	0	50	0.0	-74.00	396.56	12.30	-61.70
CN1C=C(C2=NN(C)C=C2C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300012046448	0	47	0.0	-75.29	395.59	8.11	-67.18
COCC1=CSC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046449	0	41	0.0	-74.76	357.86	7.93	-66.83
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)=C1	REAL300012046451	0	43	0.0	-78.69	394.09	10.64	-68.05
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC(C(F)(F)F)=C2)=C1	REAL300012046452	0	37	0.0	-81.67	342.96	9.24	-72.43
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C(F)(F)F)O2)=C1	REAL300012046453	1	37	0.0	-81.93	334.25	8.46	-73.47
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(C(F)(F)F)SC=C2)=C1	REAL300012046454	0	37	0.0	-74.08	333.43	9.24	-64.84
CN(C)C1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=CC(F)=C1F	REAL300012046455	0	45	0.0	-78.25	371.99	9.17	-69.08
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(F)C=CC(F)=C2Cl)=C1	REAL300012046456	1	37	0.0	-71.14	337.54	9.57	-61.57
CC(C)OC1=CC(Cl)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1Cl	REAL300012046457	0	47	0.0	-74.97	409.48	10.97	-64.00
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC3CCOC3)C=C2)=C1	REAL300012046458	0	49	0.0	-79.50	397.67	8.74	-70.76
CN(C)C1=CC(F)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1F	REAL300012046459	0	45	0.0	-77.78	377.70	8.68	-69.10
COC(=O)C1=C2CCCCN2C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046460	0	51	0.0	-84.08	414.04	10.83	-73.25
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C(F)=C2F)=C1	REAL300012046461	1	37	0.0	-86.13	329.46	9.26	-76.87
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300012046462	0	44	0.0	-80.06	380.56	9.39	-70.67
C=CCOC1=C(Cl)C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC	REAL300012046463	0	49	0.0	-85.35	425.80	10.46	-74.89
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC1CC1	REAL300012046464	0	49	0.0	-82.56	402.12	9.96	-72.60
CCCN1N=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046465	0	43	0.0	-79.58	351.54	8.39	-71.19
CN1N=C(C(F)(F)F)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046466	0	40	0.0	-86.91	354.32	7.65	-79.26
COCC(C)OC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046467	0	51	0.0	-79.49	413.92	9.30	-70.19
CCCC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046468	0	43	0.0	-73.04	367.42	10.56	-62.48
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)=C1	REAL300012046469	0	44	0.0	-77.60	379.69	11.71	-65.89
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NN2CCC2=CC=CC=C2)=C1	REAL300012046470	0	50	0.0	-83.14	411.45	11.41	-71.73
CC(C)C1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046471	0	46	0.0	-73.84	372.55	11.01	-62.83
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(Cl)=N1	REAL300012046472	1	37	0.0	-79.32	331.82	7.32	-72.00
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)=C1	REAL300012046473	0	44	0.0	-82.53	390.52	10.05	-72.48
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1C(C)(C)C	REAL300012046474	0	53	0.0	-76.05	413.00	11.08	-64.97
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(CC3CCC3)=C2)=C1	REAL300012046475	0	50	0.0	-74.26	403.38	12.60	-61.66
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046476	1	45	0.0	-68.41	385.15	8.31	-60.10
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=NC=C1Br	REAL300012046477	0	39	0.0	-77.93	347.14	8.46	-69.47
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C(Br)C=C1F	REAL300012046478	1	40	0.0	-76.68	354.49	10.38	-66.30
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(O)C=CC=C2Br)=C1	REAL300012046479	0	38	0.0	-67.95	340.10	6.79	-61.16
CN1C=C(C2=NC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CS2)C=N1	REAL300012046480	1	43	0.0	-79.21	381.84	7.69	-71.52
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1Cl	REAL300012046481	0	41	0.0	-81.90	357.86	8.94	-72.96
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NN2CC2CCC2)=C1	REAL300012046482	0	47	0.0	-80.44	382.82	9.64	-70.80
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2CC(F)(F)F)=C1	REAL300012046484	0	43	0.0	-73.45	361.46	10.67	-62.78
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(Br)=N1	REAL300012046485	1	37	0.0	-78.58	335.86	7.38	-71.20
CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(F)=C1	REAL300012046486	0	40	0.0	-70.03	339.30	9.80	-60.23
CC(=O)NC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046487	0	44	0.0	-85.30	368.43	8.00	-77.30
CN1N=CC2=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CN=C21	REAL300012046488	0	42	0.0	-86.42	356.64	8.23	-78.19
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NC=C(Br)C=C2F)=C1	REAL300012046489	1	36	0.0	-72.03	333.99	7.89	-64.14
COC1=CC(Cl)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC	REAL300012046490	0	45	0.0	-77.37	382.90	8.77	-68.60
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300012046491	0	43	0.0	-76.89	373.31	10.88	-66.01
CN1N=C2CCCCC2=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046492	0	47	0.0	-81.65	376.53	9.09	-72.56
CCOC(=O)C1=C(C)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C(C)N1	REAL300012046493	0	50	0.0	-78.42	412.67	9.49	-68.93
CC1=C(C)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CS1	REAL300012046494	0	40	0.0	-73.73	338.91	9.43	-64.30
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(Cl)C(F)=C2)=C1	REAL300012046495	0	36	0.0	-87.80	329.93	7.78	-80.02
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)=C1	REAL300012046496	0	47	0.0	-79.21	405.38	13.06	-66.15
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Br)C(F)=C2F)=C1	REAL300012046497	1	37	0.0	-84.60	343.77	9.81	-74.79
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Br)SC=C2)=C1	REAL300012046498	1	34	0.0	-72.38	320.34	8.75	-63.63
CCOC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C(F)C=C1OC	REAL300012046499	0	48	0.0	-79.02	397.39	9.27	-69.75
COC1=NC=C(Br)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046500	1	40	0.0	-73.64	359.42	6.48	-67.16
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)=C1	REAL300012046501	0	43	0.0	-82.61	358.86	11.26	-71.35
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CN=C2Br)=C1	REAL300012046502	1	36	0.0	-77.85	322.86	7.79	-70.06
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C(F)C=C1Br	REAL300012046503	0	41	0.0	-80.68	366.73	9.10	-71.58
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(Br)=C2Cl)=C1	REAL300012046504	0	37	0.0	-77.06	343.60	10.14	-66.92
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)=C1	REAL300012046505	0	41	0.0	-73.55	363.30	9.04	-64.51
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046506	0	47	0.0	-71.54	386.64	10.08	-61.46
CCOC1=CC(F)=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046507	0	44	0.0	-78.73	370.10	9.39	-69.34
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)=C1	REAL300012046508	0	51	0.0	-85.99	408.33	10.11	-75.88
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC(F)F)C=C2F)=C1	REAL300012046509	0	41	0.0	-74.80	357.14	8.70	-66.10
CC(C)(C)OC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046510	0	50	0.0	-73.77	392.73	10.22	-63.55
CC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046511	0	40	0.0	-76.56	341.84	10.09	-66.47
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C(F)C=C1C	REAL300012046512	0	44	0.0	-75.71	366.44	9.17	-66.54
CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1Br	REAL300012046513	0	43	0.0	-75.80	363.43	10.81	-64.99
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046515	0	54	0.0	-78.56	434.41	9.34	-69.22
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC(F)=CC=C2F)=N1	REAL300012046516	0	47	0.0	-77.23	404.60	10.42	-66.81
CC(C)(C)C1=CSC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300012046517	1	45	0.0	-71.92	377.91	8.81	-63.11
COCCC1=NC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046518	0	43	0.0	-78.12	374.19	6.88	-71.24
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(F)=CC(F)=C2O)=C1	REAL300012046520	1	38	0.0	-79.46	334.60	6.45	-73.01
CN1N=C2CCSCC2=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046521	0	45	0.0	-85.62	376.74	8.76	-76.86
CCN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300012046522	0	50	0.0	-75.21	413.17	11.13	-64.08
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=C2CCOC3)=C1	REAL300012046523	0	45	0.0	-76.75	359.16	9.06	-67.69
COCC1=C(C)C=C(C)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1C	REAL300012046524	0	53	0.0	-74.72	413.18	10.30	-64.42
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3OC(=O)OC3=C2)=C1	REAL300012046525	0	39	0.0	-90.86	340.09	9.64	-81.22
CC1=C(Br)C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046526	0	37	0.0	-74.92	344.92	9.60	-65.32
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)=C1	REAL300012046527	0	47	0.0	-79.09	403.27	13.02	-66.07
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=NC=CC=C23)=C1	REAL300012046528	0	42	0.0	-83.29	348.42	9.35	-73.94
CCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1C	REAL300012046529	0	50	0.0	-76.83	405.26	10.87	-65.96
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=NC=CN=C3C=C2)=C1	REAL300012046530	0	41	0.0	-84.58	348.37	7.51	-77.07
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1CN1C=CC=N1	REAL300012046531	0	51	0.0	-83.05	424.42	10.09	-72.96
CCOC1=CC=CC(F)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046532	1	44	0.0	-65.35	367.66	9.40	-55.95
CC1=CC=C(Br)C(F)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046533	0	40	0.0	-77.46	355.25	10.24	-67.22
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=CC=C1[N+](=O)[O-]	REAL300012046534	0	42	0.0	-86.32	352.63	10.35	-75.97
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046535	0	45	0.0	-85.24	371.55	10.75	-74.49
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(F)=C1OC	REAL300012046537	0	45	0.0	-76.46	380.37	8.43	-68.03
COC(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(F)=C1	REAL300012046538	0	43	0.0	-80.03	372.66	9.78	-70.25
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)=C1	REAL300012046539	0	47	0.0	-76.92	398.97	9.47	-67.45
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)=C1	REAL300012046540	0	51	0.0	-77.02	423.60	12.37	-64.65
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2OCC(F)F)=C1	REAL300012046541	0	44	0.0	-68.25	375.29	9.71	-58.54
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)C=N2)=C1	REAL300012046542	0	36	0.0	-78.01	324.06	7.77	-70.24
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046543	0	53	0.0	-78.57	427.65	12.10	-66.47
CC1=CC(C#N)=CC(C)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046544	0	44	0.0	-83.47	366.26	10.54	-72.93
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(CCF)N=C2)=C1	REAL300012046545	0	40	0.0	-78.25	343.27	7.90	-70.35
CCCC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046547	0	46	0.0	-73.70	376.72	11.32	-62.38
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300012046548	1	43	0.0	-76.94	393.91	10.40	-66.54
COC1=CC=C(C2=NC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CS2)C=C1	REAL300012046549	1	47	0.0	-76.88	406.62	9.20	-67.68
CC1=C2C=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=NC2=NN1	REAL300012046551	0	42	0.0	-92.58	355.40	7.62	-84.96
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046552	0	45	0.0	-88.11	385.92	5.81	-82.30
CN1N=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C2=CC=CC=C21	REAL300012046553	1	43	0.0	-75.44	362.28	9.01	-66.43
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C3C=CC=CC3=NN2)=C1	REAL300012046554	0	40	0.0	-87.74	339.22	7.71	-80.03
CN1C(Cl)=NC(Cl)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046555	1	37	0.0	-84.22	345.78	8.38	-75.84
CCC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046556	0	40	0.0	-73.07	345.92	9.78	-63.29
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NC=CC3=CC=CC=C32)=C1	REAL300012046557	0	42	0.0	-73.70	350.05	9.38	-64.32
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)N2C=CC=CC2=N1	REAL300012046558	0	43	0.0	-84.24	358.81	10.06	-74.18
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046559	1	57	0.0	-72.86	434.12	11.20	-61.66
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CNCC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046559	1	57	0.0	-71.27	427.40	11.72	-59.55
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNCC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046559	1	57	0.0	-73.09	430.69	11.87	-61.22
CCC1=NC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046560	0	39	0.0	-75.82	340.52	7.81	-68.01
COC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)SC=C1	REAL300012046561	0	38	0.0	-67.26	332.45	7.50	-59.76
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)=C1	REAL300012046562	0	43	0.0	-83.88	368.52	7.34	-76.54
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC=C2Cl)=C1	REAL300012046563	0	34	0.0	-69.19	316.99	8.50	-60.69
CC1=NN2C(=NC(C)=C2C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046564	0	42	0.0	-77.36	366.68	8.27	-69.09
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046565	0	48	0.0	-77.25	408.67	9.56	-67.69
CCCC(C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1)C1=CC=CC=C1	REAL300012046566	0	49	0.0	-75.24	389.38	11.82	-63.42
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)=C1	REAL300012046567	0	42	0.0	-65.16	366.07	10.03	-55.13
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C(F)(F)F)S2)=C1	REAL300012046568	0	37	0.0	-81.15	343.20	9.40	-71.75
CN(C)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C(F)(F)F)=C1	REAL300012046569	0	48	0.0	-72.81	392.32	10.58	-62.23
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046570	0	47	0.0	-74.54	394.06	11.72	-62.82
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046571	1	46	0.0	-79.81	402.56	10.68	-69.13
CC(C)C1CCC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300012046572	0	52	0.0	-72.37	382.21	10.91	-61.46
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)=C1	REAL300012046573	1	40	0.0	-86.71	372.23	10.44	-76.27
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN3C=CC(Br)=CC3=N2)=C1	REAL300012046574	1	40	0.0	-80.20	360.63	10.23	-69.97
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046575	0	48	0.0	-77.90	398.97	10.49	-67.41
COCC1=CC=CC=C1C=C(C)C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046576	0	51	0.0	-77.99	410.84	10.69	-67.30
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046577	0	47	0.0	-69.94	386.93	10.00	-59.94
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CON=C2CC2=CC=CC=C2)=C1	REAL300012046578	1	46	0.0	-86.22	387.73	10.84	-75.38
CN1N=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1Cl	REAL300012046579	1	37	0.0	-73.42	330.95	7.23	-66.19
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC=CN=C3O2)=C1	REAL300012046580	0	39	0.0	-84.52	334.98	6.57	-77.95
COC1=CC=C(N2C=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=N2)C=C1	REAL300012046581	0	48	0.0	-81.37	400.65	9.61	-71.76
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046582	0	52	0.0	-74.00	432.53	12.45	-61.55
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)=C1	REAL300012046583	0	39	0.0	-85.11	351.75	7.07	-78.04
O=C([O-])COC1=CC=CC(C[NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)=C1	REAL300012046584	0	44	0.0	-74.39	361.50	11.22	-63.17
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NC=C2Br)=C1	REAL300012046585	1	36	0.0	-73.24	324.02	7.87	-65.37
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046586	0	40	0.0	-87.37	365.41	5.78	-81.59
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NN2C2=CC=CC=N2)=C1	REAL300012046587	0	43	0.0	-74.05	364.51	9.79	-64.26
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(F)=C1	REAL300012046588	1	42	0.0	-84.18	372.07	4.09	-80.09
CC(C)N1C=CN=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046590	1	43	0.0	-78.21	353.19	8.91	-69.30
CC1=C(Br)C=NC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046591	0	39	0.0	-80.29	340.79	8.45	-71.84
CN1N=CC(C(F)(F)F)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046592	0	40	0.0	-82.35	349.98	7.69	-74.66
CN1N=CC(C2CC2)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046593	0	44	0.0	-81.63	363.05	8.73	-72.90
CN1N=CC(C2CCC2)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046594	0	47	0.0	-81.92	379.42	9.23	-72.69
CC1=C2C=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)NC2=CC=C1	REAL300012046595	0	44	0.0	-79.87	365.17	9.68	-70.19
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NN2C2=CC=NC=C2)=C1	REAL300012046596	0	43	0.0	-83.68	363.59	8.24	-75.44
CC1=CC=C2C=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)NC2=C1	REAL300012046597	0	44	0.0	-79.68	365.59	9.69	-69.99
CCOC1=CN=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046598	0	43	0.0	-79.36	358.62	7.50	-71.86
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NC=C2Cl)=C1	REAL300012046599	1	36	0.0	-74.00	320.40	7.77	-66.23
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NN2C2CCOCC2)=C1	REAL300012046600	0	48	0.0	-83.91	387.99	7.73	-76.18
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=NNC=C32)=C1	REAL300012046601	0	40	0.0	-86.71	338.45	7.79	-78.92
CCC(F)(F)C(C)(C)C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046602	0	45	0.0	-70.58	351.84	9.48	-61.10
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3C=CNC3=C2)=C1	REAL300012046603	0	41	0.0	-77.82	343.70	9.12	-68.70
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=C(C=CNC3=O)O2)=C1	REAL300012046604	1	40	0.0	-84.41	344.94	6.58	-77.83
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C(F)F)N=C2)=C1	REAL300012046605	0	39	0.0	-84.77	340.35	8.21	-76.56
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046606	0	46	0.0	-77.56	385.46	9.52	-68.04
COC1=CN=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1C	REAL300012046608	0	43	0.0	-79.17	350.87	7.25	-71.92
CC1=CC(C)=C(C=CC[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1	REAL300012046609	0	50	0.0	-76.39	402.35	12.23	-64.16
CC(C)(C)OC(=O)NC(C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1)CC(F)F	REAL300012046610	0	53	0.0	-86.37	422.57	7.94	-78.43
CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046613	0	45	0.0	-71.72	371.38	9.18	-62.54
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(C3CC3)C=N2)=C1	REAL300012046614	1	41	0.0	-73.43	343.70	9.75	-63.68
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)=C1	REAL300012046615	0	42	0.0	-86.48	359.75	9.53	-76.95
CC1=CC(C)=C(C=CC[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1C	REAL300012046616	0	50	0.0	-75.17	399.95	12.14	-63.03
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046617	0	42	0.0	-88.27	366.55	4.05	-84.22
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3CC3)O2)=C1	REAL300012046618	1	40	0.0	-78.45	341.05	6.40	-72.05
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NC=CC3=C2CCCC3)=C1	REAL300012046619	0	46	0.0	-74.42	365.28	9.59	-64.83
CC1=NN(C)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1Cl	REAL300012046620	1	40	0.0	-80.81	351.42	7.75	-73.06
CN1C=CC(C2=NC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CS2)=N1	REAL300012046621	1	43	0.0	-81.03	381.95	7.56	-73.47
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300012046622	0	50	0.0	-78.66	400.66	10.00	-68.66
CC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1Br	REAL300012046623	0	40	0.0	-67.75	346.81	10.22	-57.53
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)=C1	REAL300012046624	0	48	0.0	-78.72	407.46	12.01	-66.71
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3OCCCC3=C2)=C1	REAL300012046625	0	45	0.0	-77.79	366.03	9.72	-68.07
CN(C)C(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046626	0	47	0.0	-78.81	384.51	8.94	-69.87
CCC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(Cl)=NN1	REAL300012046627	1	40	0.0	-72.30	345.60	7.30	-65.00
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(C3CC3)NN=C2Cl)=C1	REAL300012046628	1	41	0.0	-72.68	358.69	8.04	-64.64
CCC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=NO1	REAL300012046629	0	42	0.0	-79.63	347.03	8.68	-70.95
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C2CCCCC2=N1	REAL300012046630	0	49	0.0	-81.34	384.91	10.28	-71.06
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2N2CCCCC2)=C1	REAL300012046631	0	52	0.0	-68.96	406.14	11.15	-57.81
CCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300012046632	1	41	0.0	-77.54	347.95	8.60	-68.94
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CN=C1F	REAL300012046634	0	39	0.0	-84.41	333.97	7.88	-76.53
CC1=CC(F)=NC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046635	0	39	0.0	-84.48	328.85	7.89	-76.59
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C(F)F)C(F)=C2)=C1	REAL300012046636	0	40	0.0	-83.27	351.53	10.05	-73.22
COC(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1C	REAL300012046637	0	46	0.0	-84.50	383.17	10.29	-74.21
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1	REAL300012046638	0	44	0.0	-76.15	356.64	9.02	-67.13
CC1=C(Cl)C=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1Cl	REAL300012046639	0	40	0.0	-72.43	357.83	10.55	-61.88
N#CC1=CC=C(Br)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046640	1	38	0.0	-78.41	348.55	10.07	-68.34
CC1CC2=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CC=C2O1	REAL300012046641	0	45	0.0	-79.21	369.34	9.70	-69.51
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=C2OC(=O)N3)=C1	REAL300012046642	0	40	0.0	-77.60	344.08	6.59	-71.01
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=C2OCC3)=C1	REAL300012046643	0	42	0.0	-69.33	348.08	8.93	-60.40
CSCC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046644	0	44	0.0	-75.96	378.45	10.98	-64.98
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(CC3CCC3)N=C2)=C1	REAL300012046645	0	47	0.0	-76.03	384.57	9.84	-66.19
CN1N=C2CCOCC2=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046646	0	45	0.0	-84.68	367.64	6.69	-77.99
CN1N=C2CCCC2=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046647	0	44	0.0	-81.59	359.08	8.57	-73.02
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NN2C2CCC2)=C1	REAL300012046648	0	44	0.0	-80.54	361.11	8.88	-71.66
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(C3CCC3)N=C2)=C1	REAL300012046649	0	44	0.0	-78.20	360.50	8.88	-69.32
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046650	0	50	0.0	-67.77	414.55	10.65	-57.12
COC(=O)COC1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046651	0	47	0.0	-68.13	396.77	10.05	-58.08
COC1=CC=C(C)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046652	0	44	0.0	-75.08	356.65	9.01	-66.07
CN1C=NC2=CC=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=C21	REAL300012046653	0	43	0.0	-83.04	350.73	10.36	-72.68
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046654	0	47	0.0	-85.49	383.17	8.94	-76.55
CC1=CC(F)=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046655	0	40	0.0	-79.28	340.15	9.83	-69.45
CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1C	REAL300012046656	0	46	0.0	-73.00	361.89	10.83	-62.17
CCNC(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046657	0	47	0.0	-84.67	390.29	8.22	-76.45
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046658	0	49	0.0	-68.68	366.66	11.44	-57.24
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C3CCCCCN23)=C1	REAL300012046659	0	47	0.0	-77.87	368.41	9.49	-68.38
COC1=CC=C2SC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CC2=C1	REAL300012046660	0	44	0.0	-78.28	379.27	9.93	-68.35
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CON=C2C2CC2)=C1	REAL300012046661	1	40	0.0	-81.61	340.47	8.70	-72.91
CCN(CC)C(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046662	0	53	0.0	-85.50	423.59	10.82	-74.68
CCN1CCC2=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CC=C21	REAL300012046663	0	49	0.0	-75.63	384.78	9.23	-66.40
CCN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046664	0	50	0.0	-85.70	405.20	9.95	-75.75
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=NN1C(C)C	REAL300012046665	0	46	0.0	-77.62	375.27	8.87	-68.75
CSC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1Cl	REAL300012046666	0	41	0.0	-81.92	367.56	10.56	-71.36
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1C1CC1	REAL300012046667	0	47	0.0	-74.22	379.36	11.71	-62.51
CCOC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=N1	REAL300012046668	0	43	0.0	-79.90	361.27	6.73	-73.17
CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1C1CC1	REAL300012046669	0	47	0.0	-74.31	378.77	11.72	-62.59
CC1=NN(C2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C(C)=C2)C=C1	REAL300012046670	0	50	0.0	-82.15	407.45	11.51	-70.64
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)=C1	REAL300012046671	0	43	0.0	-81.55	383.52	10.97	-70.58
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046672	0	47	0.0	-82.03	403.25	11.34	-70.69
CCC1=CC(Br)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046673	0	40	0.0	-68.22	365.37	10.32	-57.90
CC1=NN(C2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=C2)C=C1Cl	REAL300012046674	0	47	0.0	-82.47	409.25	11.38	-71.09
COC(=O)C1=CC2=C(C=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)O2)N1	REAL300012046675	0	44	0.0	-86.64	380.92	7.89	-78.75
COCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300012046676	1	45	0.0	-79.27	381.57	7.84	-71.43
CC(C)(C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1)C1=CC=C(Br)C=C1	REAL300012046677	0	46	0.0	-76.74	381.69	11.44	-65.30
CC1=NN(C(C)C)C(C)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046678	0	49	0.0	-75.82	395.78	9.40	-66.42
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NN(CCF)C=C2)=C1	REAL300012046679	1	40	0.0	-75.82	343.33	7.81	-68.01
CCN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=N1	REAL300012046680	0	43	0.0	-77.10	356.33	8.36	-68.74
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CC(Br)=C2)=C1	REAL300012046681	0	37	0.0	-79.99	350.36	10.21	-69.78
CC1=CC=C(C2=CC=CC=C2C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1	REAL300012046682	0	53	0.0	-66.26	422.88	13.60	-52.66
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2CC2)=N1	REAL300012046683	0	44	0.0	-78.09	367.15	9.08	-69.01
COC1=CC=CC(C2=CSC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=N2)=C1	REAL300012046684	1	47	0.0	-76.65	404.91	9.16	-67.49
COC(=O)C1=C2COCCN2C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046685	0	49	0.0	-86.14	405.75	8.47	-77.67
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)=C1	REAL300012046686	0	54	0.0	-85.10	427.13	11.03	-74.07
CN1N=C(C2CC2)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046687	0	44	0.0	-81.99	364.65	8.75	-73.24
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046688	0	47	0.0	-83.04	383.10	12.08	-70.96
CC(C)C1=NOC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046689	1	42	0.0	-81.39	350.57	8.38	-73.01
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)=C1	REAL300012046690	0	41	0.0	-71.27	368.57	8.01	-63.26
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=C(C3CCOCC3)O2)=C1	REAL300012046691	1	47	0.0	-79.96	384.61	5.56	-74.40
COC1=NC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1F	REAL300012046692	1	40	0.0	-77.56	345.00	5.85	-71.71
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Cl)C=CC=C2Br)=C1	REAL300012046693	1	37	0.0	-65.24	344.46	10.00	-55.24
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C(Br)=C2F)=C1	REAL300012046694	1	37	0.0	-84.23	343.18	9.79	-74.44
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN3C=CN=C3S2)=C1	REAL300012046695	0	37	0.0	-88.85	329.72	9.06	-79.79
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C(C(C)(C)C)O1	REAL300012046696	0	49	0.0	-74.27	396.28	10.66	-63.61
CC1=C(C)SC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300012046697	1	39	0.0	-71.77	337.81	7.54	-64.23
CC(C)(C)OC(=O)N1CCC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300012046699	0	57	0.0	-81.63	436.05	10.13	-71.50
CC1=CC(Br)=CN=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046700	0	39	0.0	-77.02	344.89	8.44	-68.58
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)=C1	REAL300012046701	0	43	0.0	-82.49	386.21	7.01	-75.48
CC1OC2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=C2C1C	REAL300012046702	0	48	0.0	-79.18	385.73	10.20	-68.98
CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC(F)F	REAL300012046703	0	44	0.0	-73.95	371.66	9.42	-64.53
CC1=NC(Cl)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1Br	REAL300012046704	1	39	0.0	-77.97	359.02	8.85	-69.12
CC(C)CC1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046705	0	49	0.0	-72.43	382.11	11.51	-60.92
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)NN=C1C(F)(F)F	REAL300012046707	0	40	0.0	-87.02	350.05	7.04	-79.98
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NC(C3CC3)=CS2)=C1	REAL300012046709	1	40	0.0	-72.51	347.97	8.31	-64.20
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(C(F)(F)F)=NN2)=C1	REAL300012046710	0	37	0.0	-86.79	333.40	6.44	-80.35
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3CCOC3=C2)=C1	REAL300012046711	0	42	0.0	-76.10	348.19	8.94	-67.16
CSC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046714	0	41	0.0	-74.66	352.55	10.11	-64.55
CC(C)C1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)N(C)N=C1	REAL300012046715	0	46	0.0	-81.43	374.49	8.58	-72.85
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC(C)=N1	REAL300012046716	0	42	0.0	-80.22	350.44	8.55	-71.67
CC1=C(Br)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C(C)S1	REAL300012046717	0	40	0.0	-71.80	361.18	10.06	-61.74
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC=CC(F)=C2)=N1	REAL300012046718	0	47	0.0	-80.87	398.18	10.32	-70.55
CCCN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=N1	REAL300012046719	0	46	0.0	-76.98	377.83	9.11	-67.87
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=NC=CC=C3O2)=C1	REAL300012046720	0	39	0.0	-81.95	334.96	7.81	-74.14
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(CC3CC3)S2)=C1	REAL300012046721	0	44	0.0	-73.18	377.53	11.34	-61.84
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC3CC3)C=C2)=C1	REAL300012046722	0	45	0.0	-78.25	372.87	10.06	-68.19
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)=C1	REAL300012046723	0	41	0.0	-75.34	363.88	8.91	-66.43
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)=C1	REAL300012046724	0	43	0.0	-78.49	383.54	10.97	-67.52
CC1=NC=CN1C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1	REAL300012046725	0	50	0.0	-85.02	407.52	12.12	-72.90
CC1=C(C)N(C2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=C2)C=N1	REAL300012046726	0	50	0.0	-85.63	410.06	12.70	-72.93
CNC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046727	0	44	0.0	-78.24	368.81	7.37	-70.87
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)=C1	REAL300012046728	0	51	0.0	-75.02	407.29	13.12	-61.90
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046730	0	47	0.0	-77.71	390.30	8.21	-69.50
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300012046731	0	43	0.0	-80.89	367.02	10.32	-70.57
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(C3CCC3)=NN2)=C1	REAL300012046732	0	44	0.0	-80.69	359.45	8.01	-72.68
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046733	0	47	0.0	-84.63	392.41	10.21	-74.42
CCCN1C=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300012046734	1	43	0.0	-73.68	358.23	8.43	-65.25
CC(C)N1C=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300012046735	1	43	0.0	-73.35	355.42	8.20	-65.15
CC(C)(C)C1=CN=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046736	0	48	0.0	-79.31	383.73	9.59	-69.72
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NN(CC(F)(F)F)C=C2)=C1	REAL300012046737	1	40	0.0	-78.31	354.61	8.17	-70.14
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)=C1	REAL300012046738	0	47	0.0	-75.10	385.11	11.13	-63.97
CN1C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=NC2=C1CCCC2	REAL300012046739	1	47	0.0	-74.53	375.05	9.77	-64.76
COC1=NC(Cl)=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046740	1	40	0.0	-76.32	354.92	6.29	-70.03
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300012046741	0	40	0.0	-74.89	349.10	7.88	-67.01
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C(F)F)=C2F)=C1	REAL300012046742	0	40	0.0	-73.77	350.92	10.03	-63.74
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=C2COCC3)=C1	REAL300012046743	0	45	0.0	-76.02	359.06	9.09	-66.93
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046744	0	44	0.0	-70.90	379.05	9.89	-61.01
COC1=NN(C)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046745	1	41	0.0	-73.51	348.05	4.83	-68.68
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NC3=C(COCC3)S2)=C1	REAL300012046746	1	41	0.0	-74.51	351.75	6.43	-68.08
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)=C1	REAL300012046747	0	44	0.0	-81.03	374.69	9.03	-72.00
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=C(CCCC3)O2)=C1	REAL300012046748	0	44	0.0	-74.60	356.61	9.93	-64.67
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)=C1	REAL300012046749	0	39	0.0	-90.37	346.96	9.83	-80.54
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(C3CCCCC3)N=C2)=C1	REAL300012046750	0	50	0.0	-75.60	397.00	10.15	-65.45
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)=C1	REAL300012046751	1	44	0.0	-76.04	386.20	10.57	-65.47
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(F)C=C(Br)C=C2F)=C1	REAL300012046752	1	37	0.0	-71.43	344.25	9.76	-61.67
CN(CCO)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300012046753	0	48	0.0	-78.60	391.91	6.66	-71.94
COC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=CC=C1C(C)(C)C	REAL300012046754	0	53	0.0	-70.64	405.42	10.83	-59.81
CN1C=C(Br)N=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046755	1	37	0.0	-78.11	333.69	7.95	-70.16
COC1=CC(C)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300012046756	0	43	0.0	-80.49	354.61	6.42	-74.07
COC1=CC(C)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1O	REAL300012046757	0	45	0.0	-79.47	367.33	6.85	-72.62
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)=C1	REAL300012046758	0	43	0.0	-84.19	369.09	8.20	-75.99
CN1C(=O)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300012046759	0	46	0.0	-79.88	379.67	9.89	-69.99
COC1=NC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1C	REAL300012046760	0	43	0.0	-77.17	359.63	6.49	-70.68
CCCN1C=NC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046761	0	43	0.0	-76.31	350.60	9.99	-66.32
CC1=CC(C)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1Br	REAL300012046762	0	46	0.0	-75.33	381.79	11.25	-64.08
O=C([O-])COC1=CC=CC(C[NH2+]CC=CC2=CC=C3OCOC3=C2)=C1	REAL300012046763	0	44	0.0	-81.10	369.44	9.05	-72.05
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(CC3CCC3)C=C2)=C1	REAL300012046764	0	50	0.0	-73.47	403.45	12.61	-60.86
CCC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=NN1CC	REAL300012046765	0	46	0.0	-75.92	371.70	9.01	-66.91
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(F)C=CC(Cl)=C2F)=C1	REAL300012046766	1	37	0.0	-70.37	339.13	9.64	-60.73
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046767	0	54	0.0	-82.28	434.14	9.34	-72.94
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(C3CC3)=NN2)=C1	REAL300012046768	0	41	0.0	-81.10	343.93	7.56	-73.54
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NN2C2CC2(F)F)=C1	REAL300012046769	0	41	0.0	-86.99	356.03	8.64	-78.35
COC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=CS1	REAL300012046770	0	38	0.0	-68.73	333.87	7.52	-61.21
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C(F)(F)F)=CO1	REAL300012046771	0	40	0.0	-75.47	351.67	8.88	-66.59
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046772	0	43	0.0	-77.23	365.54	10.62	-66.61
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)=C1	REAL300012046773	0	43	0.0	-80.32	375.26	9.87	-70.45
CN1C=C(C2=NNC=C2C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300012046774	0	44	0.0	-75.66	372.70	6.79	-68.87
CCCN1N=C(C)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1Cl	REAL300012046775	1	46	0.0	-73.07	393.79	9.36	-63.71
CC(C)(C#N)C1=NC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300012046776	0	43	0.0	-80.62	379.01	8.44	-72.18
COC1=CC=C(Br)C(F)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046777	1	41	0.0	-71.21	366.40	9.09	-62.12
N#CC1=CC(F)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(Br)=C1	REAL300012046778	1	38	0.0	-75.73	356.51	9.99	-65.74
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(F)=CC(F)=C2F)=C1	REAL300012046779	1	37	0.0	-77.36	330.60	9.26	-68.10
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)=C1	REAL300012046780	0	44	0.0	-76.90	377.90	11.52	-65.38
CC(C)(C)C1=NNC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046781	0	46	0.0	-80.07	374.29	7.93	-72.14
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)=C1	REAL300012046782	0	43	0.0	-79.41	370.01	11.73	-67.68
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2OC2CCCCC2)=C1	REAL300012046783	0	54	0.0	-68.22	421.85	11.93	-56.29
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)=C1	REAL300012046784	0	48	0.0	-80.36	417.75	12.45	-67.91
C=CCC1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046785	0	44	0.0	-73.07	359.46	10.96	-62.11
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)=C1	REAL300012046786	0	57	0.0	-77.04	442.56	12.61	-64.43
COC1=CC=CC(OC2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=C2)=C1	REAL300012046787	0	52	0.0	-82.74	430.54	11.24	-71.50
CCN1CCCC2=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CC=C21	REAL300012046788	0	52	0.0	-74.95	401.26	10.22	-64.73
COCC1=CN=C(OC)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046789	1	47	0.0	-75.60	392.22	5.64	-69.96
CN1N=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1Br	REAL300012046790	1	37	0.0	-72.97	335.06	7.31	-65.66
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046791	0	52	0.0	-83.36	431.23	11.87	-71.49
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN=NN2C2CC2)=C1	REAL300012046792	0	40	0.0	-86.31	338.81	7.11	-79.20
COC1=C(Br)C=CC(F)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046793	1	41	0.0	-70.23	367.49	9.16	-61.07
COCC1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046794	0	44	0.0	-76.41	358.76	8.94	-67.47
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)=C1	REAL300012046795	0	50	0.0	-81.22	421.41	13.81	-67.41
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)=C1	REAL300012046796	0	41	0.0	-79.69	368.73	10.55	-69.14
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)=C1	REAL300012046797	0	50	0.0	-79.41	405.53	9.77	-69.64
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3CCOCC3=C2)=C1	REAL300012046798	0	45	0.0	-77.08	366.04	9.18	-67.90
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(CCO)N=C2)=C1	REAL300012046799	0	41	0.0	-80.03	348.10	4.40	-75.63
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)SC2=CC(F)=CC=C12	REAL300012046800	0	43	0.0	-79.49	372.88	11.22	-68.27
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)=C1	REAL300012046801	0	43	0.0	-86.71	366.95	7.27	-79.44
COC1=CC=C(F)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1OC	REAL300012046802	1	45	0.0	-69.46	377.70	8.43	-61.03
CN1C=CC(C2=NNC=C2C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300012046803	0	44	0.0	-71.31	372.63	7.15	-64.16
CC1=CC=C(F)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1Br	REAL300012046804	1	40	0.0	-66.55	353.92	10.18	-56.37
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2OCCC2CCCCC2)=C1	REAL300012046805	0	60	0.0	-68.62	464.53	13.40	-55.22
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC3CCC3)=C2)=C1	REAL300012046806	0	51	0.0	-74.25	411.93	11.45	-62.80
CC(F)(F)C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046807	0	43	0.0	-69.77	352.84	10.62	-59.15
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1OCCO	REAL300012046808	0	49	0.0	-84.23	404.31	6.13	-78.10
CCN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2CC2)=N1	REAL300012046809	0	47	0.0	-77.76	388.68	9.95	-67.81
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OCCO	REAL300012046810	0	49	0.0	-83.86	404.31	6.13	-77.73
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC=NN2C)=N1	REAL300012046811	0	47	0.0	-76.30	396.88	8.04	-68.26
CC(C)(C)C1=NOC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046812	1	45	0.0	-79.12	355.84	8.87	-70.25
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CN=CC=C3C=C2)=C1	REAL300012046813	0	42	0.0	-82.90	353.33	9.58	-73.32
CC1=CC2=CC=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=C2O1	REAL300012046814	0	43	0.0	-71.92	361.56	10.24	-61.68
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)=C1	REAL300012046815	0	40	0.0	-78.69	346.13	10.21	-68.48
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)=C1	REAL300012046816	1	44	0.0	-68.93	387.23	9.87	-59.06
COC1=CSC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1OC	REAL300012046817	0	42	0.0	-73.27	361.47	7.25	-66.02
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CON=C2C2CCC2)=C1	REAL300012046818	1	43	0.0	-82.03	357.03	9.17	-72.86
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Br)C=CC3=C2OCO3)=C1	REAL300012046819	1	40	0.0	-68.46	356.44	8.24	-60.22
CS(=O)(=O)C1=COC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046821	1	40	0.0	-85.76	356.15	4.69	-81.07
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)=C1	REAL300012046822	0	40	0.0	-77.15	356.63	10.13	-67.02
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1F	REAL300012046823	0	47	0.0	-83.61	387.84	10.02	-73.59
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C(Cl)=C2F)=C1	REAL300012046825	1	37	0.0	-84.17	338.92	9.69	-74.48
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C(F)F)=C2)=C1	REAL300012046826	0	40	0.0	-76.84	344.51	9.95	-66.89
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)=C1	REAL300012046827	0	43	0.0	-72.46	362.85	11.35	-61.11
CS(=O)(=O)C1=CSC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046828	0	40	0.0	-82.92	364.56	5.70	-77.22
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC(Cl)=C2)=C1	REAL300012046829	0	34	0.0	-76.80	319.35	8.65	-68.15
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=NN1C1CCC1	REAL300012046830	0	47	0.0	-77.65	380.00	9.58	-68.07
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)=C1	REAL300012046831	0	44	0.0	-80.35	387.89	10.83	-69.52
CC1=NN(C2CCCC2)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046832	0	50	0.0	-80.98	400.43	10.18	-70.80
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NN2CC(F)F)=C1	REAL300012046833	0	40	0.0	-87.63	347.78	7.84	-79.79
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046834	0	47	0.0	-79.97	393.02	9.76	-70.21
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)=C1	REAL300012046835	0	40	0.0	-77.69	353.80	10.56	-67.13
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)=C1	REAL300012046837	0	44	0.0	-80.82	377.57	10.37	-70.45
CN(C)C1=CN=CC(F)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046838	1	44	0.0	-69.56	366.16	7.19	-62.37
COC1=NC(C)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1Cl	REAL300012046839	0	46	0.0	-82.95	386.76	7.33	-75.62
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NN(C3CCC3)C=C2)=C1	REAL300012046841	1	44	0.0	-73.51	360.55	8.78	-64.73
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NN(CC(F)F)C=C2)=C1	REAL300012046842	1	40	0.0	-77.86	348.58	8.00	-69.86
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NN(C3CC3(F)F)C=C2)=C1	REAL300012046843	1	41	0.0	-79.26	358.24	8.54	-70.72
CC1=NN(C2CCCCC2)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046844	0	53	0.0	-76.32	416.65	10.74	-65.58
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(C3CCOCC3)N=C2)=C1	REAL300012046845	0	48	0.0	-76.73	387.77	7.75	-68.98
CC1=NN(C2CCOCC2)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046846	0	51	0.0	-77.26	407.40	8.33	-68.93
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NN(C3CCCC3)C=C2)=C1	REAL300012046847	1	47	0.0	-73.23	378.12	9.45	-63.78
NS(=O)(=O)C1=CSC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046848	1	39	0.0	-83.24	358.09	3.10	-80.14
O=C([O-])COC1=CC=CC(C[NH2+]CC2=NC=C(Cl)C=C2Cl)=C1	REAL300012046849	1	36	0.0	-70.39	338.18	8.17	-62.22
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)=C1	REAL300012046850	0	52	0.0	-86.19	418.48	8.60	-77.59
CC1=NN(C2CCCC2)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046851	0	50	0.0	-76.45	397.67	10.13	-66.32
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(F)F)=C1	REAL300012046852	0	40	0.0	-74.37	335.35	10.07	-64.30
CC1=CC(Br)=C(F)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046853	0	40	0.0	-78.40	358.85	10.41	-67.99
COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1Br	REAL300012046854	1	41	0.0	-69.52	357.17	8.99	-60.53
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CNN=C3C=C2)=C1	REAL300012046855	0	40	0.0	-82.68	338.59	7.81	-74.87
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)C(F)=C2F)=C1	REAL300012046856	1	37	0.0	-84.57	339.35	9.70	-74.87
CC1=C(F)C=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046857	0	40	0.0	-77.72	333.11	9.68	-68.04
CN1C=C(C2=CC=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=C2)C=N1	REAL300012046858	0	47	0.0	-78.84	392.46	10.38	-68.46
COC1=CC(F)=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1Br	REAL300012046859	0	41	0.0	-76.66	366.78	9.10	-67.56
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)=C1	REAL300012046860	0	47	0.0	-97.54	398.90	11.50	-86.04
CC1=CC=C(Br)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046861	0	40	0.0	-76.70	348.46	10.33	-66.37
COC1=C(C#N)C=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046862	0	42	0.0	-80.19	362.04	8.91	-71.28
COC1=NC2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=C2S1	REAL300012046863	0	43	0.0	-83.71	376.74	6.91	-76.80
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NC(Br)=C2)=C1	REAL300012046864	0	36	0.0	-82.92	328.68	7.82	-75.10
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(F)=CC(Cl)=C2Cl)=C1	REAL300012046865	1	37	0.0	-74.55	346.61	10.06	-64.49
CC1=NC(Cl)=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046866	0	39	0.0	-82.69	339.13	8.32	-74.37
CC(C)(C)COC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046867	0	53	0.0	-73.99	424.12	11.43	-62.56
COC1=CC(Cl)=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046868	0	41	0.0	-77.97	358.57	8.90	-69.07
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)=C1	REAL300012046869	1	40	0.0	-80.22	363.84	10.45	-69.77
COC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC(F)=C1F	REAL300012046870	0	41	0.0	-90.13	354.35	8.52	-81.61
COC1=CC(C)=NC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046871	0	43	0.0	-72.58	357.58	7.30	-65.28
CC(C)N1C=NC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046872	1	43	0.0	-72.93	355.83	9.66	-63.27
CN1N=CC=C1C1=NNC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046873	0	44	0.0	-76.88	373.98	6.74	-70.14
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2CC2)=NO1	REAL300012046874	0	43	0.0	-81.88	361.59	9.49	-72.39
COC(=O)C1=C(C)NC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1C	REAL300012046875	0	47	0.0	-84.05	395.04	8.84	-75.21
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300012046876	1	44	0.0	-77.26	368.25	9.33	-67.93
CC1=CC(Br)=CC(C)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046877	0	43	0.0	-77.39	366.79	10.77	-66.62
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(O)C=CC(F)=C2Br)=C1	REAL300012046878	0	38	0.0	-71.00	345.80	6.82	-64.18
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Cl)C=CC3=C2OCO3)=C1	REAL300012046879	1	40	0.0	-69.01	352.41	8.16	-60.85
N#CC1=CC(F)=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046880	0	38	0.0	-88.30	339.60	9.55	-78.75
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3CCCCC3)C=C2)=C1	REAL300012046881	0	53	0.0	-73.50	414.18	12.90	-60.60
COC1=CC=CC=C1C=CC[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046882	0	45	0.0	-73.96	371.75	9.75	-64.21
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)SC(Br)=C1	REAL300012046883	0	37	0.0	-76.73	342.76	9.51	-67.22
CC1=NN(C2CCC2)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046884	0	47	0.0	-76.85	380.09	9.47	-67.38
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=NN1CC(F)F	REAL300012046885	0	43	0.0	-83.18	366.88	8.51	-74.67
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)=C1	REAL300012046886	0	45	0.0	-83.28	381.52	9.44	-73.84
CCCN1N=C(C)C(Cl)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046887	1	46	0.0	-80.40	394.72	9.37	-71.03
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046888	1	49	0.0	-84.99	410.48	11.18	-73.81
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046889	0	44	0.0	-85.08	375.64	8.35	-76.73
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)=C1	REAL300012046890	0	50	0.0	-74.94	415.13	13.56	-61.38
CCCCC(=O)NC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046891	0	53	0.0	-78.93	431.99	10.35	-68.58
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=N1	REAL300012046892	0	43	0.0	-80.40	354.44	6.38	-74.02
CCN(C)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1	REAL300012046893	0	51	0.0	-72.39	400.45	11.07	-61.32
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CN=C2Br)=C1	REAL300012046894	1	36	0.0	-77.81	339.62	8.28	-69.53
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C(Cl)C(Cl)=CS2)=C1	REAL300012046895	0	34	0.0	-72.08	333.79	9.13	-62.95
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046896	0	58	0.0	-73.21	440.13	11.27	-61.94
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046897	1	48	0.0	-64.87	390.05	8.47	-56.40
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(CF)C=C2)=C1	REAL300012046898	0	40	0.0	-76.75	340.31	9.91	-66.84
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)=C1	REAL300012046899	0	41	0.0	-83.65	374.36	9.44	-74.21
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)=C1	REAL300012046900	0	47	0.0	-80.85	400.91	11.92	-68.93
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3SC=CC3=C2)=C1	REAL300012046901	0	40	0.0	-79.60	349.25	10.47	-69.13
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)=C1	REAL300012046902	0	46	0.0	-80.52	381.74	10.76	-69.76
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2CO)=C1	REAL300012046903	0	41	0.0	-78.18	336.51	6.54	-71.64
CC1=NSC(C)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046904	0	39	0.0	-81.39	334.89	7.93	-73.46
CC(C)(C)C1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=NO1	REAL300012046905	0	45	0.0	-77.97	355.59	9.15	-68.82
CC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1C(F)(F)F	REAL300012046906	0	43	0.0	-73.40	357.17	10.72	-62.68
C=CCN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300012046907	0	41	0.0	-76.68	349.48	8.32	-68.36
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=NNC=C3C=C2)=C1	REAL300012046908	0	40	0.0	-78.44	338.58	7.81	-70.63
CCC(C)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300012046909	0	49	0.0	-73.54	391.00	11.69	-61.85
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=NC=C(Br)C=C3O2)=C1	REAL300012046910	0	39	0.0	-83.30	356.28	8.41	-74.89
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)=C1	REAL300012046911	0	42	0.0	-80.51	377.38	9.47	-71.04
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=C(CCOC3)N=C2Cl)=C1	REAL300012046912	1	44	0.0	-81.02	373.27	7.75	-73.27
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046913	1	50	0.0	-81.22	411.80	11.62	-69.60
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=N1	REAL300012046914	0	42	0.0	-81.01	361.44	9.05	-71.96
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Br)=CC(F)=C2F)=C1	REAL300012046915	1	37	0.0	-76.46	345.48	9.80	-66.66
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=C2CCCC3)=C1	REAL300012046916	0	47	0.0	-74.80	367.68	11.46	-63.34
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)=C1	REAL300012046917	0	39	0.0	-88.93	361.84	10.38	-78.55
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046918	0	44	0.0	-80.05	372.20	10.98	-69.07
COC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=CC(Br)=C1F	REAL300012046919	0	41	0.0	-79.21	368.72	9.16	-70.05
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2F)=C1	REAL300012046920	0	40	0.0	-76.42	355.81	10.12	-66.30
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)=C1	REAL300012046921	0	43	0.0	-87.78	364.70	9.01	-78.77
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=CC2=CC=CC=C21	REAL300012046922	0	46	0.0	-77.18	369.77	11.79	-65.39
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046923	0	55	0.0	-76.21	437.52	10.74	-65.47
COC1=C2C=CNC2=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046924	0	45	0.0	-71.92	373.21	8.51	-63.41
CC1=NC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C(C)S1	REAL300012046925	1	39	0.0	-70.11	337.80	7.51	-62.60
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)=C1	REAL300012046926	0	50	0.0	-77.04	399.93	6.10	-70.94
COC1=CC=C(OC)C(OC)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046927	1	49	0.0	-67.53	399.51	7.70	-59.83
CCCN1N=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1C	REAL300012046928	0	46	0.0	-77.92	377.01	8.95	-68.97
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)=C1	REAL300012046929	0	54	0.0	-66.92	423.70	11.00	-55.92
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)=C1	REAL300012046930	0	51	0.0	-74.78	425.96	12.61	-62.17
CC1=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300012046931	0	45	0.0	-70.70	368.08	10.17	-60.53
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CN=C1N1C=CC=N1	REAL300012046932	0	46	0.0	-85.87	383.90	10.41	-75.46
COC(=O)C1=CN(C)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300012046933	0	44	0.0	-82.29	374.26	9.22	-73.07
COC1=CC=C(Br)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1O	REAL300012046934	0	42	0.0	-69.66	369.31	6.76	-62.90
CCCN1N=C(C)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300012046935	0	46	0.0	-79.95	373.48	8.96	-70.99
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2CCC2)=N1	REAL300012046936	0	47	0.0	-78.36	383.53	9.52	-68.84
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)O1	REAL300012046937	1	45	0.0	-77.70	371.53	6.59	-71.11
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012046938	0	47	0.0	-63.40	378.63	11.24	-52.16
CC1=CC=C(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012046939	0	47	0.0	-63.76	379.12	11.25	-52.51
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=CN=C2C=C1)CC(F)(F)F	REAL300012046940	0	46	0.0	-72.38	383.99	10.32	-62.06
O=C([O-])C(CCCC[NH2+]CC1CC2C=CC1C2)CC(F)(F)F	REAL300012046941	0	46	0.0	-65.25	359.65	10.48	-54.77
O=C([O-])C(CCCC[NH2+]CC1CCCCC1)CC(F)(F)F	REAL300012046942	0	47	0.0	-64.56	363.88	10.28	-54.28
CC(C)(C)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012046943	0	53	0.0	-64.56	419.07	12.28	-52.28
O=C([O-])C(CCCC[NH2+]CC1=CNN=C1C1=CC=CC=C1)CC(F)(F)F	REAL300012046944	0	48	0.0	-66.05	399.09	9.82	-56.23
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Br)O1)CC(F)(F)F	REAL300012046945	0	38	0.0	-66.52	344.88	8.82	-57.70
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012046946	0	51	0.0	-71.18	421.36	11.76	-59.42
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1OC(F)F	REAL300012046947	0	49	0.0	-72.34	411.37	9.44	-62.90
CCOC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1OC	REAL300012046948	0	52	0.0	-70.96	423.02	10.06	-60.90
CCCCCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012046949	0	57	0.0	-67.05	458.72	12.55	-54.50
CC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1C	REAL300012046950	0	47	0.0	-63.46	374.93	11.13	-52.33
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1C	REAL300012046951	0	47	0.0	-64.59	381.29	11.16	-53.43
CC(C)OC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012046952	0	51	0.0	-60.89	411.10	10.93	-49.96
CCCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OC	REAL300012046953	0	55	0.0	-71.00	444.97	10.88	-60.12
C=CCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OC	REAL300012046954	0	53	0.0	-71.16	435.93	10.64	-60.52
O=C([O-])C(CCCC[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1)CC(F)(F)F	REAL300012046955	0	51	0.0	-69.24	427.12	11.63	-57.61
CCC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2=CC=CC=C2O1	REAL300012046956	0	50	0.0	-67.65	412.63	11.87	-55.78
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1OC(F)(F)F)CC(F)(F)F	REAL300012046957	0	45	0.0	-65.38	387.01	9.81	-55.57
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012046958	0	48	0.0	-72.99	402.43	7.64	-65.35
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(Cl)=C1	REAL300012046959	0	45	0.0	-65.73	384.61	9.68	-56.05
O=C([O-])C(CCCC[NH2+]CC1=CC=C(OC(F)(F)F)C=C1)CC(F)(F)F	REAL300012046960	0	45	0.0	-69.30	388.42	9.74	-59.56
N#CC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012046961	0	42	0.0	-74.79	363.73	10.34	-64.45
O=C([O-])C(CCCC[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1)CC(F)(F)F	REAL300012046962	0	48	0.0	-68.61	405.52	9.89	-58.72
CC1=CC=C(C2=NNC=C2C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012046963	0	51	0.0	-68.06	420.18	10.47	-57.59
O=C([O-])C(CCCC[NH2+]CC1=CNN=C1C1=CC=CS1)CC(F)(F)F	REAL300012046964	0	45	0.0	-66.92	386.61	9.09	-57.83
COC1=CC=C(C2=NNC=C2C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012046965	0	52	0.0	-70.45	428.24	9.09	-61.36
O=C([O-])C(CCCC[NH2+]CC1=CSC2=CC=CC=C12)CC(F)(F)F	REAL300012046966	0	44	0.0	-66.92	379.33	11.32	-55.60
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=CC=C2OC1)CC(F)(F)F	REAL300012046967	0	47	0.0	-68.69	388.92	10.46	-58.23
CC1=CC=C(C2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O2)C=C1	REAL300012046968	0	51	0.0	-66.62	424.51	12.52	-54.10
CC1=CC=C(C2=NNC=C2C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300012046969	0	48	0.0	-66.94	403.95	9.08	-57.86
O=C([O-])C(CCCC[NH2+]CC1=CNN=C1C1=CC=CN=C1)CC(F)(F)F	REAL300012046970	0	47	0.0	-71.36	393.80	8.05	-63.31
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Cl)S1)CC(F)(F)F	REAL300012046971	0	38	0.0	-66.71	350.14	9.68	-57.03
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=CC=CN=C21)CC(F)(F)F	REAL300012046972	0	46	0.0	-62.70	382.26	10.46	-52.24
COC1=NC2=CC=CC=C2C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012046973	0	50	0.0	-66.44	413.29	8.95	-57.49
O=C([O-])C(CCCC[NH2+]CC1=CC=C(N2C=CC=N2)C=C1)CC(F)(F)F	REAL300012046974	0	48	0.0	-73.73	401.22	11.17	-62.56
O=C([O-])C(CCCC[NH2+]CC1=CC=C(N2C=NC=N2)C=C1)CC(F)(F)F	REAL300012046975	0	47	0.0	-76.17	395.72	12.47	-63.70
CCC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300012046976	0	44	0.0	-64.50	367.02	9.70	-54.80
O=C([O-])C(CCCC[NH2+]CC1=CC(F)=CC=C1F)CC(F)(F)F	REAL300012046977	0	41	0.0	-65.72	354.40	10.04	-55.68
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C=C1Cl)CC(F)(F)F	REAL300012046978	0	41	0.0	-67.20	361.97	10.47	-56.73
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C(Cl)=C1)CC(F)(F)F	REAL300012046979	0	41	0.0	-72.77	365.02	10.50	-62.27
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)CC(F)(F)F	REAL300012046980	0	44	0.0	-75.96	387.19	11.01	-64.95
CCOC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012046981	0	48	0.0	-66.50	394.22	10.18	-56.32
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1F	REAL300012046982	0	44	0.0	-67.99	369.59	10.67	-57.32
O=C([O-])C(CCCC[NH2+]CC1=CC(Cl)=CC=C1Cl)CC(F)(F)F	REAL300012046983	0	41	0.0	-64.03	372.30	10.91	-53.12
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C=C1C(F)(F)F)CC(F)(F)F	REAL300012046984	0	44	0.0	-71.68	377.37	11.07	-60.61
O=C([O-])C(CCCC[NH2+]CC1=CC(F)=C(F)C(F)=C1)CC(F)(F)F	REAL300012046985	0	41	0.0	-77.78	361.88	10.14	-67.64
O=C([O-])C(CCCC[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)CC(F)(F)F	REAL300012046986	0	44	0.0	-72.58	387.56	11.00	-61.58
O=C([O-])C(CCCC[NH2+]CC1=CC(C(F)(F)F)=CC=C1F)CC(F)(F)F	REAL300012046987	0	44	0.0	-65.66	385.68	10.99	-54.67
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(Cl)=C1OC	REAL300012046988	0	49	0.0	-69.29	417.48	9.75	-59.54
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=CC=C2S1)CC(F)(F)F	REAL300012046989	0	44	0.0	-65.62	379.82	11.49	-54.13
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Cl)C(F)=C1)CC(F)(F)F	REAL300012046990	0	41	0.0	-73.08	365.46	10.53	-62.55
O=C([O-])C(CCCC[NH2+]CC1=CC=CN=C1Cl)CC(F)(F)F	REAL300012046991	0	40	0.0	-65.01	349.79	8.60	-56.41
CC(C)C1=NN(C)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012046992	0	50	0.0	-68.50	407.64	9.59	-58.91
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012046993	0	50	0.0	-64.69	422.97	9.90	-54.79
COCCOC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012046994	0	52	0.0	-67.91	427.41	9.44	-58.47
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1Cl	REAL300012046995	0	45	0.0	-70.68	387.95	9.79	-60.89
O=C([O-])C(CCCC[NH2+]CC1=CSC(C2=CC=CC=N2)=N1)CC(F)(F)F	REAL300012046996	0	46	0.0	-66.02	402.69	8.87	-57.15
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012046997	0	53	0.0	-67.87	423.82	11.51	-56.36
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1OCCO2)CC(F)(F)F	REAL300012046998	0	47	0.0	-65.04	385.36	9.15	-55.89
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1OCCCO2)CC(F)(F)F	REAL300012046999	0	50	0.0	-68.27	402.68	9.98	-58.29
CCCN1C2=CC=CC=C2N=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047000	0	53	0.0	-67.10	428.27	12.02	-55.08
CCCOC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047001	0	51	0.0	-65.51	415.73	10.99	-54.52
O=C([O-])C(CCCC[NH2+]CC1=CC(C2=CC=CC=C2)=CS1)CC(F)(F)F	REAL300012047002	0	48	0.0	-66.35	408.92	12.54	-53.81
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(OC2CCCC2)=C1)CC(F)(F)F	REAL300012047003	0	55	0.0	-65.70	437.23	12.17	-53.53
CC(C)OC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047004	0	51	0.0	-66.06	411.71	10.79	-55.27
CC(C)C1=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300012047005	0	46	0.0	-62.00	390.20	8.98	-53.02
CC(C)(C)C1=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300012047006	0	49	0.0	-61.83	409.13	9.49	-52.34
O=C([O-])C(CCCC[NH2+]CC1=CSC(C2=CSC=C2)=N1)CC(F)(F)F	REAL300012047007	0	44	0.0	-64.11	398.75	9.69	-54.42
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1OC1CCCC1)CC(F)(F)F	REAL300012047008	0	55	0.0	-61.48	436.14	12.21	-49.27
CC1=CC=C(C2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S2)C=C1	REAL300012047009	0	51	0.0	-65.54	431.67	13.40	-52.14
COCCCOC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047010	0	55	0.0	-67.21	449.40	10.06	-57.15
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])OC=C1	REAL300012047011	0	41	0.0	-64.33	344.17	8.72	-55.61
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CN=C1Cl	REAL300012047012	0	43	0.0	-73.54	373.37	9.19	-64.35
COC1=CC=C(OC(F)F)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047013	0	49	0.0	-66.12	409.79	8.86	-57.26
O=C([O-])C(CCCC[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)CC(F)(F)F	REAL300012047014	0	46	0.0	-63.17	399.39	11.00	-52.17
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C2=CC=CN=C12)CC(F)(F)F	REAL300012047015	0	46	0.0	-65.97	387.82	10.52	-55.45
O=C([O-])C(CCCC[NH2+]CC1=CC(F)=CC2=CC=CN=C21)CC(F)(F)F	REAL300012047016	0	46	0.0	-63.86	388.64	10.55	-53.31
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12)CC(F)(F)F	REAL300012047017	0	46	0.0	-65.21	396.65	10.91	-54.30
CCC1=CC=C(C2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O2)C=C1	REAL300012047018	0	54	0.0	-66.38	446.00	13.30	-53.08
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(OC(F)F)=C1	REAL300012047019	0	49	0.0	-69.57	410.23	8.89	-60.68
COC1=CC=C2OC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC2=C1	REAL300012047020	0	48	0.0	-69.65	400.23	9.77	-59.88
O=C([O-])C(CCCC[NH2+]CC=CC1=CC=C(Cl)C=C1)CC(F)(F)F	REAL300012047021	0	45	0.0	-69.58	390.64	11.78	-57.80
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2=CC=CC=C2O1	REAL300012047022	0	47	0.0	-67.64	391.14	11.10	-56.54
O=C([O-])C(CCCC[NH2+]CC1=COC2=CC=CC=C12)CC(F)(F)F	REAL300012047023	0	44	0.0	-68.51	370.78	10.34	-58.17
O=C([O-])C(CCCC[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1)CC(F)(F)F	REAL300012047024	0	49	0.0	-69.47	409.20	11.70	-57.77
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1Br	REAL300012047025	0	44	0.0	-66.90	382.36	11.15	-55.75
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N=C1	REAL300012047026	0	43	0.0	-62.51	358.84	8.77	-53.74
O=C([O-])C(CCCC[NH2+]CC=CC1=CC=C(F)C=C1F)CC(F)(F)F	REAL300012047027	0	45	0.0	-71.99	385.39	11.34	-60.65
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1Br	REAL300012047028	0	44	0.0	-68.33	381.93	11.13	-57.20
O=C([O-])C(CCCC[NH2+]CC1=NN(C2=CC=CC=C2)C=C1)CC(F)(F)F	REAL300012047029	0	48	0.0	-65.66	401.76	11.08	-54.58
O=C([O-])C(CCCC[NH2+]CC1=C(Cl)SC=C1)CC(F)(F)F	REAL300012047030	0	38	0.0	-61.38	347.02	9.52	-51.86
O=C([O-])C(CCCC[NH2+]CC1=CC(Cl)=CC2=C1OCC2)CC(F)(F)F	REAL300012047031	0	46	0.0	-63.73	394.93	10.30	-53.43
O=C([O-])C(CCCC[NH2+]CC1=CC2=C(F)C=CC=C2N1)CC(F)(F)F	REAL300012047032	0	45	0.0	-71.38	381.26	9.98	-61.40
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=C(F)C=C2N1)CC(F)(F)F	REAL300012047033	0	45	0.0	-71.67	380.72	9.96	-61.71
CCOC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047034	0	47	0.0	-65.18	391.45	7.54	-57.64
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC2=CC=CN=C12	REAL300012047035	0	49	0.0	-71.94	404.11	11.16	-60.78
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1Cl	REAL300012047036	0	44	0.0	-68.52	378.34	11.06	-57.46
O=C([O-])C(CCCC[NH2+]CC1=CN=C2C=CSC2=C1)CC(F)(F)F	REAL300012047037	0	43	0.0	-71.59	374.30	9.42	-62.17
CCCC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047038	0	50	0.0	-64.37	406.81	12.15	-52.22
CCN(CC)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1F	REAL300012047039	0	55	0.0	-70.36	441.70	11.00	-59.36
COC1=CC=C2N=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])SC2=C1	REAL300012047040	0	47	0.0	-68.16	404.52	8.77	-59.39
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047041	0	47	0.0	-72.66	406.00	10.81	-61.85
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1C#N	REAL300012047042	0	46	0.0	-78.50	392.14	9.66	-68.84
O=C([O-])C(CCCC[NH2+]CC1=CC=C(SC(F)F)C=C1)CC(F)(F)F	REAL300012047043	0	45	0.0	-68.51	392.24	11.21	-57.30
CC1=CC(Cl)=CC(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047044	0	47	0.0	-67.14	392.76	11.53	-55.61
O=C([O-])C(CCCC[NH2+]CC1=CC=C(OC(F)F)C(F)=C1)CC(F)(F)F	REAL300012047045	0	45	0.0	-73.05	387.91	9.59	-63.46
CCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N=C1	REAL300012047046	0	47	0.0	-64.65	388.83	8.32	-56.33
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047047	0	47	0.0	-69.94	396.73	11.61	-58.33
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC(Cl)=C1OC	REAL300012047048	0	49	0.0	-74.28	421.58	9.79	-64.49
CCCOC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1OC	REAL300012047049	0	55	0.0	-70.76	444.52	10.86	-59.90
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Br)S1)CC(F)(F)F	REAL300012047050	0	38	0.0	-66.70	354.77	9.80	-56.90
C=CCOC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047051	0	49	0.0	-66.46	406.69	10.75	-55.71
COC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1OC(C)C	REAL300012047052	0	55	0.0	-64.44	440.44	10.98	-53.46
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OC(F)F	REAL300012047053	0	49	0.0	-68.83	411.38	9.45	-59.38
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012047054	0	51	0.0	-69.71	420.19	10.95	-58.76
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC2=C1OCCO2	REAL300012047055	0	51	0.0	-73.19	416.56	8.98	-64.21
CCCCN1N=C(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1Cl	REAL300012047056	0	53	0.0	-65.06	445.38	10.99	-54.07
CC1=CC(C)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1C	REAL300012047057	0	50	0.0	-63.62	396.13	11.78	-51.84
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CC=CC=C2)S1)CC(F)(F)F	REAL300012047058	0	48	0.0	-65.96	410.72	12.74	-53.22
CC(C)(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012047059	0	50	0.0	-65.74	390.49	11.65	-54.09
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012047060	0	57	0.0	-68.75	449.27	11.49	-57.26
CC1CCC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012047061	0	50	0.0	-64.73	377.69	10.67	-54.06
CC(CCC1=CC=CC=C1)C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047062	0	53	0.0	-66.26	421.89	12.83	-53.43
CCC1CCCC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300012047063	0	53	0.0	-64.85	402.95	11.54	-53.31
CC1(C)CCC2=C(C1)SC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N2	REAL300012047064	0	53	0.0	-64.24	426.66	10.60	-53.64
CCC1=CC=CC(Cl)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047065	0	47	0.0	-61.13	392.38	11.58	-49.55
CC1=C(C)C=C2OC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC2=C1	REAL300012047066	0	50	0.0	-67.14	408.60	11.67	-55.47
CCCC1CCC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012047067	0	56	0.0	-64.48	424.45	12.30	-52.18
CC1CCCCC1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047068	0	50	0.0	-55.12	368.11	10.30	-44.82
O=C([O-])C(CCCC[NH2+]CC1=CC=C(N2C=CN=C2)C=C1)CC(F)(F)F	REAL300012047069	0	48	0.0	-74.38	398.83	12.34	-62.04
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1)CC(F)(F)F	REAL300012047070	0	48	0.0	-67.24	411.10	11.95	-55.29
O=C([O-])C(CCCC[NH2+]CC1=CC(Cl)=C2OCCOC2=C1)CC(F)(F)F	REAL300012047071	0	47	0.0	-71.41	403.34	9.66	-61.75
CCCCC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2=CC=CC=C2O1	REAL300012047072	0	56	0.0	-67.89	455.62	13.43	-54.46
COC1=CC=C(C)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047073	0	48	0.0	-61.59	391.99	9.97	-51.62
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1F	REAL300012047074	0	45	0.0	-72.67	378.15	9.32	-63.35
O=C([O-])C(CCCC[NH2+]CC1CCC(C(F)(F)F)CC1)CC(F)(F)F	REAL300012047075	0	50	0.0	-68.59	394.24	10.97	-57.62
CC(C)C1CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CCO1	REAL300012047076	0	54	0.0	-67.47	413.98	10.01	-57.46
CC1(C)CCC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012047077	0	53	0.0	-64.98	397.85	11.17	-53.81
CCSC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047078	0	48	0.0	-66.64	404.55	11.82	-54.82
O=C([O-])C(CCCC[NH2+]CC1=C(O)C=CC(Cl)=C1F)CC(F)(F)F	REAL300012047079	1	42	0.0	-63.49	373.59	7.68	-55.81
COC1(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CCCCC1	REAL300012047080	0	51	0.0	-62.44	385.68	9.31	-53.13
CCN1N=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2=CC=CC=C21	REAL300012047081	0	50	0.0	-65.83	414.63	10.75	-55.08
COCCC1(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CCCCC1	REAL300012047082	0	57	0.0	-64.23	421.13	10.16	-54.07
CCCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047083	0	51	0.0	-66.85	415.28	10.97	-55.88
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=CC=C2O1)CC(F)(F)F	REAL300012047084	0	44	0.0	-67.13	370.31	10.47	-56.66
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CC=CC=C2)O1)CC(F)(F)F	REAL300012047085	0	48	0.0	-66.73	403.12	11.86	-54.87
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1OC(C)C	REAL300012047086	0	55	0.0	-71.09	441.27	10.70	-60.39
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012047087	0	46	0.0	-75.27	386.62	11.14	-64.13
CC(C)OC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047088	0	51	0.0	-66.81	412.50	10.85	-55.96
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1F	REAL300012047089	0	44	0.0	-69.51	369.15	10.64	-58.87
O=C([O-])C(CCCC[NH2+]CC1=C2NC=CC2=CC=C1)CC(F)(F)F	REAL300012047090	0	45	0.0	-66.73	373.79	9.95	-56.78
O=C([O-])C(CCCC[NH2+]CC1=C(Br)C=CS1)CC(F)(F)F	REAL300012047091	0	38	0.0	-62.16	352.10	9.58	-52.58
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1N1CCOCC1)CC(F)(F)F	REAL300012047092	0	54	0.0	-64.52	426.99	9.51	-55.01
CC(C)CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047093	0	53	0.0	-64.53	424.06	12.63	-51.90
CC1=CC=C(C2=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C2)C=C1	REAL300012047094	0	54	0.0	-67.44	438.04	14.03	-53.41
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012047095	0	47	0.0	-82.45	397.95	10.68	-71.77
O=C([O-])C(CCCC[NH2+]CC1=CC(Cl)=CC(Cl)=C1)CC(F)(F)F	REAL300012047096	0	41	0.0	-69.34	375.89	10.95	-58.39
O=C([O-])C(CCCC[NH2+]CC1=CC(F)=CC(Cl)=C1)CC(F)(F)F	REAL300012047097	0	41	0.0	-70.58	366.01	10.54	-60.04
CC1=CC=CC(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047098	0	47	0.0	-63.60	376.01	11.03	-52.57
O=C([O-])C(CCCC[NH2+]CC1=CC(Br)=CO1)CC(F)(F)F	REAL300012047099	0	38	0.0	-66.91	344.89	8.72	-58.19
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047100	0	54	0.0	-67.48	438.93	14.04	-53.44
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(OC(F)F)=C1)CC(F)(F)F	REAL300012047101	0	45	0.0	-69.94	382.13	9.54	-60.40
CCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OCC	REAL300012047102	0	55	0.0	-70.97	445.33	11.00	-59.97
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Cl)C=C1F)CC(F)(F)F	REAL300012047103	0	41	0.0	-67.72	365.18	10.51	-57.21
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(OC(F)(F)F)=C1)CC(F)(F)F	REAL300012047104	0	45	0.0	-69.60	388.43	9.74	-59.86
O=C([O-])C(CCCC[NH2+]CC1=CC(Cl)=CC=C1F)CC(F)(F)F	REAL300012047105	0	41	0.0	-65.27	365.17	10.50	-54.77
O=C([O-])C(CCCC[NH2+]CC1=CC(F)=CC(F)=C1)CC(F)(F)F	REAL300012047106	0	41	0.0	-71.10	355.25	10.08	-61.02
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(Cl)=C1F)CC(F)(F)F	REAL300012047107	0	41	0.0	-68.32	364.62	10.49	-57.83
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2=CC=CC=C12	REAL300012047108	0	51	0.0	-68.57	412.19	11.45	-57.12
O=C([O-])C(CCCC[NH2+]CC1=NNC=C1C1=CC=CC=C1)CC(F)(F)F	REAL300012047109	0	48	0.0	-62.91	400.26	9.89	-53.02
O=C([O-])C(CCCC[NH2+]CC1=C(C2=CC=CC=C2)C=NN1)CC(F)(F)F	REAL300012047109	1	48	0.0	-68.32	400.79	9.86	-58.46
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(F)=C1F)CC(F)(F)F	REAL300012047110	0	41	0.0	-69.54	354.73	10.05	-59.49
CN1C2=CC=CC=C2N=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047111	0	47	0.0	-71.79	389.28	10.30	-61.49
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300012047112	0	44	0.0	-70.49	369.47	6.64	-63.85
O=C([O-])C(CCCC[NH2+]CC1=CC=C2OCCC2=C1)CC(F)(F)F	REAL300012047113	0	46	0.0	-69.10	378.76	9.80	-59.30
O=C([O-])C(CCCC[NH2+]CC1=CSC(Br)=C1)CC(F)(F)F	REAL300012047114	0	38	0.0	-67.90	354.08	9.62	-58.28
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1)CC(F)(F)F	REAL300012047115	0	51	0.0	-67.49	416.65	13.35	-54.14
O=C([O-])C(CCCC[NH2+]CC1=CC=C(N2CCCC2)N=C1)CC(F)(F)F	REAL300012047116	0	52	0.0	-68.56	416.34	9.85	-58.71
O=C([O-])C(CCCC[NH2+]CC1=C2C=CNC2=CC=C1)CC(F)(F)F	REAL300012047117	0	45	0.0	-63.78	373.60	9.96	-53.82
CC1=CC(F)=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047118	0	44	0.0	-68.16	363.61	10.64	-57.52
CC1=NC(C)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047119	0	43	0.0	-66.21	368.28	8.41	-57.80
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)CC(F)(F)F	REAL300012047120	0	50	0.0	-65.79	414.15	11.82	-53.97
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)CC(F)(F)F	REAL300012047121	0	50	0.0	-69.75	411.65	11.59	-58.16
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)CC(F)(F)F	REAL300012047122	0	50	0.0	-71.30	412.29	11.61	-59.69
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047123	0	56	0.0	-66.19	435.28	10.46	-55.73
O=C([O-])C(CCCC[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)CC(F)(F)F	REAL300012047124	0	50	0.0	-71.93	423.76	8.44	-63.49
CNC(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047125	0	48	0.0	-75.72	399.34	8.24	-67.48
O=C([O-])C(CCCC[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)CC(F)(F)F	REAL300012047126	0	48	0.0	-73.12	408.11	11.24	-61.88
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=CC=C2C=C1)CC(F)(F)F	REAL300012047127	0	47	0.0	-67.62	388.98	12.22	-55.40
COC1=C2OC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC2=CC=C1	REAL300012047128	0	48	0.0	-68.89	399.80	9.76	-59.13
CC(C)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012047129	0	52	0.0	-75.59	427.47	12.44	-63.15
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC(OC)=C1	REAL300012047130	0	49	0.0	-67.21	401.87	8.57	-58.64
COC1=CC2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C2C=C1	REAL300012047131	0	51	0.0	-69.96	417.89	11.50	-58.46
O=C([O-])C(CCCC[NH2+]CC1=CC(Br)=CS1)CC(F)(F)F	REAL300012047133	0	38	0.0	-66.19	354.56	9.69	-56.50
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047134	0	54	0.0	-70.13	438.20	12.03	-58.10
COC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1OC(F)F	REAL300012047135	0	49	0.0	-66.20	409.85	9.54	-56.66
O=C([O-])C(CCCC[NH2+]CC1=CC=C(CSC(F)F)O1)CC(F)(F)F	REAL300012047136	0	45	0.0	-67.26	402.96	10.52	-56.74
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=CC=C2NC1=O)CC(F)(F)F	REAL300012047137	0	47	0.0	-65.20	392.78	8.99	-56.21
O=C([O-])C(CCCC[NH2+]CC1=CC=C(N2CCCCC2)C=C1)CC(F)(F)F	REAL300012047139	0	56	0.0	-65.57	435.81	11.24	-54.33
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1SC	REAL300012047140	0	49	0.0	-70.96	411.34	10.29	-60.67
N#CCCCOC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047141	0	52	0.0	-72.45	436.58	11.50	-60.95
C=CCC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC(OC)=C1O	REAL300012047142	0	53	0.0	-70.67	437.30	9.09	-61.58
O=C([O-])C(CCCC[NH2+]CC1=CC(C2=CC=CC=C2)=NN1)CC(F)(F)F	REAL300012047143	0	48	0.0	-73.10	402.27	9.89	-63.21
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047144	0	50	0.0	-70.58	421.08	10.92	-59.66
O=C([O-])C(CCCC[NH2+]CC1=CN(C2=CC=CC=C2)N=N1)CC(F)(F)F	REAL300012047145	0	47	0.0	-69.42	395.33	9.77	-59.65
O=C([O-])C(CCCC[NH2+]CC1=NC(C2=CC=CC=C2)=CS1)CC(F)(F)F	REAL300012047146	0	47	0.0	-67.42	405.57	10.71	-56.71
CN1C=NC2=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C21	REAL300012047147	0	47	0.0	-71.52	391.26	11.31	-60.21
CCN1N=C(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1C	REAL300012047148	0	50	0.0	-67.97	406.13	9.59	-58.38
C=CCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1Cl	REAL300012047149	0	49	0.0	-70.87	422.71	11.30	-59.57
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2=CC=CC=C2)S1)CC(F)(F)F	REAL300012047150	0	47	0.0	-67.85	407.46	10.97	-56.88
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012047151	0	53	0.0	-64.60	429.30	9.84	-54.76
CC1(C)CC2=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C2O1	REAL300012047152	0	52	0.0	-69.34	420.29	11.21	-58.13
O=C([O-])C(CCCC[NH2+]CC1=COC(C2=CC=CC=C2)=N1)CC(F)(F)F	REAL300012047153	0	47	0.0	-66.17	399.08	8.38	-57.79
O=C([O-])C(CCCC[NH2+]CC1=CSC(C2=CC=CS2)=N1)CC(F)(F)F	REAL300012047154	0	44	0.0	-63.99	398.90	9.77	-54.22
CC1=CC=CC(C2=NNC=C2C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047155	0	51	0.0	-65.85	420.01	10.48	-55.37
CC1=CC=C(F)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047156	0	44	0.0	-61.84	368.79	10.68	-51.16
CC1=CC=C(F)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047157	0	44	0.0	-66.31	363.66	10.63	-55.68
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(Br)=C1	REAL300012047158	0	44	0.0	-62.49	380.13	11.16	-51.33
CC1=NC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047159	0	43	0.0	-68.21	352.77	8.76	-59.45
CC(C)COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047160	0	54	0.0	-66.56	435.39	11.67	-54.89
COCCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047161	0	52	0.0	-69.43	427.41	9.44	-59.99
CC1(C)CCCC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300012047162	0	53	0.0	-65.26	397.85	11.17	-54.09
CC1=CCCC(C)C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047163	0	51	0.0	-61.25	386.33	11.31	-49.94
COC1=CC2=C(C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])OCO2	REAL300012047164	0	48	0.0	-66.63	396.58	7.96	-58.67
O=C([O-])C(CCCC[NH2+]CC1=CN=CC2=CC=CC=C21)CC(F)(F)F	REAL300012047165	0	46	0.0	-66.71	378.84	10.31	-56.40
CC(C)COC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047166	0	54	0.0	-66.11	435.83	11.68	-54.43
CC1=CC(Cl)=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047167	0	44	0.0	-67.10	373.95	11.09	-56.01
O=C([O-])C(CCCC[NH2+]CC=CC1=CC=C(F)C=C1)CC(F)(F)F	REAL300012047168	0	45	0.0	-70.55	380.32	11.33	-59.22
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Cl)N=C1)CC(F)(F)F	REAL300012047169	0	40	0.0	-72.88	354.58	8.60	-64.28
O=C([O-])C(CCCC[NH2+]CC1=CN=CC(Br)=C1)CC(F)(F)F	REAL300012047170	0	40	0.0	-70.26	358.59	8.76	-61.50
CN1N=NC2=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C21	REAL300012047171	0	46	0.0	-77.69	386.42	8.39	-69.30
O=C([O-])C(CCCC[NH2+]CC1CCCCCC1)CC(F)(F)F	REAL300012047172	0	50	0.0	-64.36	375.35	10.66	-53.70
CC1(C)CC2=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C2O1	REAL300012047173	0	52	0.0	-62.56	419.73	11.16	-51.40
COC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047174	0	44	0.0	-65.73	370.04	6.62	-59.11
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012047175	0	51	0.0	-65.58	421.75	11.12	-54.46
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(N2C=CC=N2)=C1)CC(F)(F)F	REAL300012047176	0	48	0.0	-69.99	400.79	11.14	-58.85
CC(C)N1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300012047177	0	47	0.0	-67.97	385.46	9.14	-58.83
CC1=NC2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C2C=C1	REAL300012047178	0	49	0.0	-73.09	405.13	10.92	-62.17
O=C([O-])C(CCCC[NH2+]CC1=NC=CC=C1C(F)(F)F)CC(F)(F)F	REAL300012047179	0	43	0.0	-59.65	366.34	9.01	-50.64
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012047180	0	50	0.0	-74.91	417.01	13.49	-61.42
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC(F)=CC=C2O1)CC(F)(F)F	REAL300012047181	0	44	0.0	-69.58	376.72	10.54	-59.04
O=C([O-])C(CCCC[NH2+]CC1=CC=C(OCC(F)F)C=C1)CC(F)(F)F	REAL300012047182	0	48	0.0	-71.41	406.80	10.49	-60.92
COCC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047183	0	48	0.0	-65.93	397.49	9.67	-56.26
CCCCOC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047184	0	54	0.0	-61.65	435.80	11.84	-49.81
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012047185	0	51	0.0	-65.91	419.85	10.83	-55.08
COC1=CC(C)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OC	REAL300012047186	0	52	0.0	-69.47	415.96	9.75	-59.72
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047187	0	47	0.0	-70.70	406.49	10.83	-59.87
O=C([O-])C(CCCC[NH2+]CC1=CNN=C1C1=CSC=C1)CC(F)(F)F	REAL300012047188	0	45	0.0	-65.57	389.42	8.82	-56.75
CC1CCC2=C(C1)SC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N2	REAL300012047189	0	50	0.0	-64.40	411.74	10.30	-54.10
CC(C)(C)C1CCC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012047190	0	59	0.0	-64.62	432.67	12.27	-52.35
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C(C)O1	REAL300012047191	0	44	0.0	-64.83	364.65	9.57	-55.26
O=C([O-])C(CCCC[NH2+]CC1=CC=C(OCC2CC2)C=C1)CC(F)(F)F	REAL300012047192	0	52	0.0	-67.68	425.90	11.77	-55.91
CC(C)CC1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047193	0	49	0.0	-65.99	410.27	10.13	-55.86
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2=CC=CS2)S1)CC(F)(F)F	REAL300012047194	0	44	0.0	-67.60	399.32	10.04	-57.56
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2=CSC=C2)S1)CC(F)(F)F	REAL300012047195	0	44	0.0	-67.97	399.03	9.93	-58.04
CC1=CC=C(C2=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S2)O1	REAL300012047196	0	47	0.0	-69.76	412.59	9.89	-59.87
CC1=CC(Br)=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047197	0	44	0.0	-67.57	378.96	11.21	-56.36
O=C([O-])C(CCCC[NH2+]CC1=CNN=C1C1=CC=CC=C1F)CC(F)(F)F	REAL300012047198	0	48	0.0	-69.83	405.37	9.89	-59.94
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)CC(F)(F)F	REAL300012047199	0	50	0.0	-67.58	416.30	11.65	-55.93
O=C([O-])C(CCCC[NH2+]CC1=C(Cl)OC2=CC=CC=C21)CC(F)(F)F	REAL300012047200	0	44	0.0	-64.50	386.56	10.90	-53.60
COCCOC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047201	0	52	0.0	-62.72	426.43	9.52	-53.20
O=C([O-])C(CCCC[NH2+]CC1=NC2=C(CCC2)S1)CC(F)(F)F	REAL300012047202	0	44	0.0	-65.48	373.50	9.13	-56.35
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012047203	0	48	0.0	-66.69	409.55	10.40	-56.29
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047204	0	45	0.0	-67.46	371.92	9.24	-58.22
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1)CC(F)(F)F	REAL300012047205	0	48	0.0	-68.28	409.52	11.91	-56.37
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300012047206	0	41	0.0	-64.19	345.09	8.90	-55.29
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1)CC(F)(F)F	REAL300012047207	0	41	0.0	-64.70	342.86	9.96	-54.74
CC(C)(C)C1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047208	0	49	0.0	-66.27	409.71	9.75	-56.52
O=C([O-])C(CCCC[NH2+]CC1=CC=C2OCCOC2=C1)CC(F)(F)F	REAL300012047209	0	47	0.0	-69.56	386.93	9.10	-60.46
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(Br)=C1)CC(F)(F)F	REAL300012047210	0	41	0.0	-67.80	363.72	10.56	-57.24
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(Cl)=C1)CC(F)(F)F	REAL300012047211	0	41	0.0	-67.73	359.15	10.45	-57.28
O=C([O-])C(CCCC[NH2+]CC1=CN(C2=CC=CC=C2)N=C1)CC(F)(F)F	REAL300012047212	0	48	0.0	-70.26	401.26	11.16	-59.10
CC(C)(C)N1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300012047213	0	50	0.0	-67.57	405.19	9.76	-57.81
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC(C)=C1	REAL300012047214	0	47	0.0	-64.51	385.24	11.27	-53.24
O=C([O-])C(CCCC[NH2+]CC1=CC=C(CO)O1)CC(F)(F)F	REAL300012047215	0	42	0.0	-67.84	356.94	5.58	-62.26
O=C([O-])C(CCCC[NH2+]CC1=CC=CS1)CC(F)(F)F	REAL300012047216	0	38	0.0	-63.05	332.65	9.05	-54.00
CC(=O)NC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047217	0	48	0.0	-71.58	398.53	8.84	-62.74
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1Cl)CC(F)(F)F	REAL300012047218	0	41	0.0	-60.17	354.30	10.43	-49.74
O=C([O-])C(CCCC[NH2+]CC1=CC=CC([N+](=O)[O-])=C1)CC(F)(F)F	REAL300012047219	0	43	0.0	-78.48	370.64	10.62	-67.86
O=C([O-])C(CCCC[NH2+]CC1=CC=C([N+](=O)[O-])C=C1)CC(F)(F)F	REAL300012047220	0	43	0.0	-79.83	371.09	10.63	-69.20
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=CC=CC=C21)CC(F)(F)F	REAL300012047221	0	47	0.0	-66.15	383.86	12.10	-54.05
CN(C)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047222	0	49	0.0	-64.63	394.38	10.37	-54.26
CCN(CC)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047223	0	55	0.0	-63.89	438.01	12.27	-51.62
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Br)C=C1)CC(F)(F)F	REAL300012047224	0	41	0.0	-68.45	363.72	10.57	-57.88
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Cl)C=C1)CC(F)(F)F	REAL300012047225	0	41	0.0	-68.65	359.60	10.48	-58.17
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC(OC)=C1OC	REAL300012047226	0	53	0.0	-74.42	434.33	9.06	-65.36
O=C([O-])C(CCCC[NH2+]CC1=C(F)C=CC=C1Cl)CC(F)(F)F	REAL300012047227	0	41	0.0	-59.82	361.78	10.37	-49.45
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C=C1)CC(F)(F)F	REAL300012047228	0	41	0.0	-69.73	349.28	10.03	-59.70
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1OC(F)F)CC(F)(F)F	REAL300012047229	0	45	0.0	-66.12	380.71	9.60	-56.52
COC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1OC	REAL300012047230	0	49	0.0	-65.12	401.21	9.21	-55.91
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Cl)C=C1Cl)CC(F)(F)F	REAL300012047231	0	41	0.0	-66.40	372.30	10.91	-55.49
O=C([O-])C(CCCC[NH2+]CC1=CC=C(N2CCOCC2)C=C1)CC(F)(F)F	REAL300012047232	0	54	0.0	-67.34	426.88	8.79	-58.55
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OC	REAL300012047233	0	49	0.0	-71.05	401.17	9.14	-61.91
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(OC)=C1	REAL300012047234	0	49	0.0	-64.67	400.48	8.61	-56.06
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C(F)(F)F)C=C1)CC(F)(F)F	REAL300012047235	0	44	0.0	-71.36	381.60	10.96	-60.40
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C=C1F)CC(F)(F)F	REAL300012047236	0	41	0.0	-68.53	354.85	10.06	-58.47
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(Cl)=C1Cl)CC(F)(F)F	REAL300012047237	0	41	0.0	-66.64	370.31	10.84	-55.80
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Cl)C(Cl)=C1)CC(F)(F)F	REAL300012047238	0	41	0.0	-71.61	374.34	10.91	-60.70
O=C([O-])C(CCCC[NH2+]CC1CC=CCC1)CC(F)(F)F	REAL300012047239	0	45	0.0	-65.30	355.92	10.18	-55.12
O=C([O-])C(CCCC[NH2+]CC1=CC=C(OC(F)F)C=C1)CC(F)(F)F	REAL300012047240	0	45	0.0	-69.33	382.12	9.54	-59.79
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1C(F)(F)F)CC(F)(F)F	REAL300012047241	0	44	0.0	-68.00	370.99	11.01	-56.99
CCCCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047242	0	54	0.0	-66.81	436.78	11.75	-55.06
CC(C)CCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047243	0	57	0.0	-67.08	454.79	12.29	-54.79
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1)CC(F)(F)F	REAL300012047244	0	52	0.0	-67.67	431.44	12.80	-54.87
COC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047245	0	45	0.0	-66.34	371.93	9.24	-57.10
CC(=CC1=CC=CC=C1)C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047246	0	48	0.0	-65.88	390.48	11.72	-54.16
CCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OC	REAL300012047247	0	52	0.0	-70.91	423.02	10.06	-60.85
CC(C)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047248	0	50	0.0	-64.27	402.65	11.87	-52.40
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(C(F)(F)F)=C1)CC(F)(F)F	REAL300012047249	0	44	0.0	-70.26	381.48	10.96	-59.30
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(OC)=C1OC	REAL300012047250	0	53	0.0	-68.72	429.55	9.00	-59.72
CCOC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047251	0	48	0.0	-61.38	392.36	10.24	-51.14
CCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047252	0	48	0.0	-67.31	393.79	10.17	-57.14
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1F)CC(F)(F)F	REAL300012047253	0	41	0.0	-61.61	346.99	9.99	-51.62
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(F)=C1)CC(F)(F)F	REAL300012047254	0	41	0.0	-68.99	349.27	10.03	-58.96
COC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047255	0	45	0.0	-61.99	370.95	9.33	-52.66
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])SC=C1	REAL300012047256	0	41	0.0	-62.68	351.58	9.64	-53.04
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1)CC(F)(F)F	REAL300012047257	0	51	0.0	-67.72	417.08	13.38	-54.34
CC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047258	0	44	0.0	-63.43	357.24	10.57	-52.86
COC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012047259	0	51	0.0	-61.68	412.81	11.42	-50.26
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047260	0	44	0.0	-64.39	363.83	10.62	-53.77
N#CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047261	0	42	0.0	-75.20	363.72	10.35	-64.85
CSC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047262	0	45	0.0	-67.82	382.64	10.97	-56.85
O=C([O-])C(CCCC[NH2+]CC1=C(Cl)C=CC=C1Cl)CC(F)(F)F	REAL300012047263	0	41	0.0	-59.03	370.98	10.78	-48.25
COC1=CC(OC)=C(OC)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047264	0	53	0.0	-67.34	429.68	8.53	-58.81
CC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047265	0	44	0.0	-64.45	363.83	10.61	-53.84
O=C([O-])C(CCCC[NH2+]CC1=CSC=C1)CC(F)(F)F	REAL300012047266	0	38	0.0	-64.94	332.85	8.90	-56.04
CCC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047267	0	47	0.0	-64.32	385.32	11.39	-52.93
CC1=CC(C)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012047268	0	50	0.0	-63.68	397.45	11.69	-51.99
O=C([O-])C(CCCC[NH2+]CC1=C(F)C=CC=C1F)CC(F)(F)F	REAL300012047269	0	41	0.0	-60.77	353.06	9.99	-50.78
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C(F)=C1)CC(F)(F)F	REAL300012047270	0	41	0.0	-74.31	355.13	10.07	-64.24
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047271	0	41	0.0	-62.87	354.54	9.85	-53.02
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1Br)CC(F)(F)F	REAL300012047272	0	41	0.0	-60.09	358.32	10.55	-49.54
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1O	REAL300012047273	0	46	0.0	-70.65	383.13	7.10	-63.55
CC1=NN(C)C(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047274	0	47	0.0	-67.29	383.29	8.68	-58.61
CC1=NN(C)C(Cl)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047275	0	44	0.0	-65.64	380.59	8.58	-57.06
CCC1=NN(C)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047276	0	47	0.0	-67.94	382.55	9.12	-58.82
O=C([O-])C(CCCC[NH2+]CC1=CN(CC(F)(F)F)N=C1)CC(F)(F)F	REAL300012047277	0	44	0.0	-73.41	385.09	9.13	-64.28
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012047278	0	53	0.0	-66.22	411.42	10.12	-56.10
O=C([O-])C(CCCC[NH2+]CC1=CC=CN=C1)CC(F)(F)F	REAL300012047279	0	40	0.0	-68.98	337.70	8.18	-60.80
O=C([O-])C(CCCC[NH2+]CC1=CC=NC=C1)CC(F)(F)F	REAL300012047280	0	40	0.0	-69.98	337.74	8.19	-61.79
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Cl)O1)CC(F)(F)F	REAL300012047281	0	38	0.0	-67.07	340.68	8.72	-58.35
CN(CCC#N)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047282	0	53	0.0	-69.47	436.78	11.82	-57.65
CCOC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1OC	REAL300012047283	0	52	0.0	-65.15	423.50	10.14	-55.01
C#CCOC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047284	0	47	0.0	-62.83	398.15	10.78	-52.05
CC1=NOC(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047285	0	43	0.0	-71.01	360.00	8.75	-62.26
CC1=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300012047286	0	40	0.0	-62.69	349.43	7.68	-55.01
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC2=C1OCO2	REAL300012047287	0	48	0.0	-74.62	398.01	7.89	-66.73
O=C([O-])C(CCCC[NH2+]CC1=NN(C2=CC=CC=C2)N=C1)CC(F)(F)F	REAL300012047288	0	47	0.0	-68.69	396.86	9.73	-58.96
COC1=CC2=C(C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])OC(C)C2	REAL300012047289	0	53	0.0	-63.65	428.03	9.93	-53.72
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300012047290	0	41	0.0	-69.05	345.68	7.76	-61.29
CCN(C(C)=O)C1=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300012047291	0	50	0.0	-66.50	421.51	9.82	-56.68
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1C	REAL300012047292	0	48	0.0	-67.62	392.44	10.00	-57.62
CC(C)(C)C1=NNC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047293	0	50	0.0	-67.21	389.20	8.84	-58.37
COC1=CC=CC(OC)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047294	0	49	0.0	-58.37	399.19	8.68	-49.69
CN1C=CN=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047295	0	41	0.0	-68.47	342.08	8.31	-60.16
COC1=CC=C(F)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047296	0	45	0.0	-62.64	376.41	9.28	-53.36
CSC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047297	0	42	0.0	-65.86	376.39	10.28	-55.58
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047298	0	54	0.0	-61.64	430.78	13.79	-47.85
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1OCO2)CC(F)(F)F	REAL300012047299	0	44	0.0	-66.86	368.44	8.59	-58.27
O=C([O-])C(CCCC[NH2+]CC1=CN=CN=C1)CC(F)(F)F	REAL300012047300	0	39	0.0	-71.46	332.06	7.95	-63.51
O=C([O-])C(CCCC[NH2+]CC1=C(Cl)C=CS1)CC(F)(F)F	REAL300012047301	0	38	0.0	-62.51	348.38	9.51	-53.00
CS(=O)(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047302	0	47	0.0	-76.66	403.55	7.48	-69.18
COC1=CC=C(F)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047303	0	45	0.0	-64.01	376.97	9.38	-54.63
NC(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047304	0	45	0.0	-76.68	377.41	6.74	-69.94
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1F	REAL300012047305	0	45	0.0	-73.31	378.15	9.30	-64.01
COC1=CC=C(Cl)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047306	0	45	0.0	-63.14	387.29	9.82	-53.32
O=C([O-])C(CCCC[NH2+]CC1=CN=CS1)CC(F)(F)F	REAL300012047307	0	37	0.0	-67.05	327.62	7.21	-59.84
CN1C=NC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047308	0	41	0.0	-70.28	343.02	9.10	-61.18
COC(=O)C1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CN1C	REAL300012047309	0	48	0.0	-70.68	402.28	10.15	-60.53
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1Cl	REAL300012047310	0	44	0.0	-66.98	378.33	11.06	-55.92
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1C	REAL300012047311	0	48	0.0	-67.45	392.45	10.00	-57.45
O=C([O-])C(CCCC[NH2+]CC1=CSC=N1)CC(F)(F)F	REAL300012047312	0	37	0.0	-62.49	327.04	6.95	-55.54
CC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1F	REAL300012047313	0	44	0.0	-64.28	368.75	10.63	-53.65
N#CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012047314	0	42	0.0	-73.80	368.82	10.36	-63.44
CC1=NNC(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047315	0	44	0.0	-67.97	362.90	7.48	-60.49
CC1=NNC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047316	0	41	0.0	-68.63	341.93	7.03	-61.60
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=NN1	REAL300012047316	1	41	0.0	-66.72	341.44	7.01	-59.71
CN1N=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047317	0	41	0.0	-70.50	343.05	7.51	-62.99
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Br)C=N1)CC(F)(F)F	REAL300012047318	0	40	0.0	-65.52	358.72	8.72	-56.80
O=C([O-])C(CCCC[NH2+]CC1=CN=C(N2CCOCC2)S1)CC(F)(F)F	REAL300012047319	0	50	0.0	-68.44	416.11	7.26	-61.18
C#CCCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047320	0	50	0.0	-67.81	421.06	11.49	-56.32
O=C([O-])C(CCCC[NH2+]CC1=CN2C=CC=CC2=N1)CC(F)(F)F	REAL300012047321	0	44	0.0	-64.92	369.40	10.46	-54.46
CC1=NN(C)C2=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C12	REAL300012047322	0	49	0.0	-76.91	408.69	9.67	-67.24
O=C([O-])C(CCCC[NH2+]CC1=CSC(C2CC2)=N1)CC(F)(F)F	REAL300012047323	0	44	0.0	-62.82	379.32	9.19	-53.63
CCC1=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300012047324	0	43	0.0	-62.52	370.92	8.43	-54.09
O=C([O-])C(CCCC[NH2+]CC1=CN2C=C(Cl)C=CC2=N1)CC(F)(F)F	REAL300012047325	0	44	0.0	-65.73	386.57	10.98	-54.75
CC1=NN(C)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047326	0	44	0.0	-68.58	365.65	8.28	-60.30
CCOCC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1OC	REAL300012047327	0	55	0.0	-65.76	446.46	10.17	-55.59
CCN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300012047328	0	44	0.0	-68.49	366.77	8.61	-59.88
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N=N1	REAL300012047329	0	40	0.0	-68.67	339.24	6.45	-62.22
NC(=O)C1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047330	0	45	0.0	-72.68	377.42	6.73	-65.95
CN1C=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047331	0	41	0.0	-63.75	345.74	7.67	-56.08
O=C([O-])C(CCCC[NH2+]CC1=NC=CN1CC(F)(F)F)CC(F)(F)F	REAL300012047332	0	44	0.0	-68.91	379.63	9.43	-59.48
O=C([O-])C(CCCC[NH2+]CC1CCCCCCC1)CC(F)(F)F	REAL300012047333	0	53	0.0	-64.76	385.10	11.13	-53.63
CC1=CSC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047334	0	40	0.0	-65.20	349.45	7.69	-57.51
COC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1F	REAL300012047335	0	45	0.0	-67.28	377.30	9.28	-58.00
O=C([O-])C(CCCC[NH2+]CC1=CC=C2CCCC2=C1)CC(F)(F)F	REAL300012047336	0	48	0.0	-65.11	388.41	11.87	-53.24
O=C([O-])C(CCCC[NH2+]CC1=CSC=C1Br)CC(F)(F)F	REAL300012047337	0	38	0.0	-62.88	351.17	9.48	-53.40
CC(C)COC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047338	0	54	0.0	-61.65	434.41	11.75	-49.90
CCN1N=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047339	0	44	0.0	-69.46	360.58	8.48	-60.98
O=C([O-])C(CCCC[NH2+]CC1=NC2=C(CCCC2)S1)CC(F)(F)F	REAL300012047340	0	47	0.0	-64.50	390.95	9.69	-54.81
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=NC=C2C=C1)CC(F)(F)F	REAL300012047341	0	46	0.0	-72.02	383.43	10.42	-61.60
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])SC=N1	REAL300012047342	0	40	0.0	-66.44	345.95	7.68	-58.76
COC1=CC(F)=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047343	0	45	0.0	-68.87	378.34	9.31	-59.56
CC(C)(C)C1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300012047344	0	51	0.0	-71.37	414.50	9.91	-61.46
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=CS1	REAL300012047345	0	41	0.0	-64.02	349.66	9.67	-54.35
CS(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047346	0	46	0.0	-76.67	394.64	8.54	-68.13
O=C([O-])C(CCCC[NH2+]CC1=CC=C2CCCCC2=C1)CC(F)(F)F	REAL300012047347	0	51	0.0	-64.37	405.13	12.43	-51.94
N#CC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047348	0	41	0.0	-71.23	358.37	8.42	-62.81
COC(=O)C1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CN1	REAL300012047349	0	45	0.0	-73.01	384.08	8.38	-64.63
COCC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300012047350	0	45	0.0	-66.90	379.19	7.98	-58.92
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1OC	REAL300012047351	0	52	0.0	-69.66	416.85	9.77	-59.89
O=C([O-])C(CCCC[NH2+]CC1=CSC(Cl)=C1Cl)CC(F)(F)F	REAL300012047352	0	38	0.0	-66.76	363.40	9.94	-56.82
CC1=NC(F)=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047353	0	43	0.0	-74.01	359.21	8.71	-65.30
COC1=CC(C)=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047354	0	48	0.0	-61.95	392.42	9.99	-51.96
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300012047355	0	41	0.0	-64.52	354.29	9.69	-54.83
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N=N1	REAL300012047356	0	42	0.0	-67.69	353.94	7.65	-60.04
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C(F)(F)F)S1)CC(F)(F)F	REAL300012047357	0	40	0.0	-72.99	368.50	8.36	-64.63
CN1N=NC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047358	0	40	0.0	-77.10	337.43	6.36	-70.74
CS(=O)(=O)C1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047359	0	47	0.0	-75.44	403.11	7.46	-67.98
O=C([O-])C(CCCC[NH2+]CC1=CC(Cl)=CS1)CC(F)(F)F	REAL300012047360	0	38	0.0	-66.47	349.97	9.58	-56.89
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2CCCC2)C=C1)CC(F)(F)F	REAL300012047361	0	54	0.0	-64.76	426.41	13.15	-51.61
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N(C)N=C1	REAL300012047362	0	44	0.0	-69.74	363.34	8.12	-61.62
CC1=CC(Cl)=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047363	0	44	0.0	-67.07	381.01	11.13	-55.94
COCC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047364	0	48	0.0	-67.29	397.93	9.69	-57.60
O=C([O-])C(CCCC[NH2+]CC1=NC=CN1C1=CC=CC=C1)CC(F)(F)F	REAL300012047365	0	48	0.0	-63.10	400.36	11.62	-51.48
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2CC2)C=C1)CC(F)(F)F	REAL300012047366	0	48	0.0	-64.94	391.65	12.05	-52.89
O=C([O-])C(CCCC[NH2+]CC1=NC=C(Cl)S1)CC(F)(F)F	REAL300012047367	0	37	0.0	-66.90	344.27	7.71	-59.19
C=CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300012047368	0	42	0.0	-69.38	357.03	8.95	-60.43
O=C([O-])C(CCCC[NH2+]CC1=CC=NN1C1CCCC1)CC(F)(F)F	REAL300012047369	0	51	0.0	-70.84	408.58	10.44	-60.40
COC1=CC2=CC=CC=C2C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047370	0	51	0.0	-65.05	416.26	11.58	-53.47
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C(F)F)C=C1)CC(F)(F)F	REAL300012047371	0	44	0.0	-68.83	375.04	10.83	-58.00
COC1=CC(C)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012047372	0	50	0.0	-69.68	403.72	7.71	-61.97
COC1=CC=CC(Cl)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047373	0	45	0.0	-58.30	385.09	9.73	-48.57
CCC1=CC(OC)=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047374	0	51	0.0	-66.31	405.39	10.53	-55.78
CC1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N1C1=CC=CC=C1	REAL300012047375	0	51	0.0	-64.95	421.90	12.24	-52.71
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=NN1C	REAL300012047376	0	44	0.0	-67.29	363.39	8.17	-59.12
CCCN1N=C(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1C	REAL300012047377	0	53	0.0	-67.88	427.63	10.34	-57.54
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2CC2)N=C1)CC(F)(F)F	REAL300012047378	0	46	0.0	-71.81	384.42	9.60	-62.21
COCCN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300012047379	0	48	0.0	-69.89	400.89	7.68	-62.21
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2CCC2)C=C1)CC(F)(F)F	REAL300012047380	0	51	0.0	-64.54	408.19	12.53	-52.01
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC2=CC=CC=C21	REAL300012047381	0	51	0.0	-69.72	417.34	11.57	-58.15
CCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1F	REAL300012047382	0	48	0.0	-72.81	400.45	10.26	-62.55
COC1=CC=CC2=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=CC=C12	REAL300012047383	0	51	0.0	-68.68	412.21	11.45	-57.23
N#CC1=CSC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047384	0	39	0.0	-73.42	353.69	9.47	-63.95
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1C#N	REAL300012047385	0	46	0.0	-78.93	392.13	9.66	-69.27
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047386	0	51	0.0	-65.83	416.65	11.81	-54.02
O=C([O-])C(CCCC[NH2+]CC1=NC=C(C(F)(F)F)S1)CC(F)(F)F	REAL300012047387	0	40	0.0	-69.54	368.22	8.28	-61.26
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1C#N	REAL300012047388	0	45	0.0	-75.21	382.43	10.84	-64.37
CC1=CN=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047389	0	40	0.0	-64.73	349.57	7.90	-56.83
CC(C)CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300012047390	0	50	0.0	-67.89	403.63	10.20	-57.69
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1C1CC1)CC(F)(F)F	REAL300012047391	0	48	0.0	-63.99	385.90	11.97	-52.02
CCC1=CN=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047392	0	43	0.0	-64.39	370.61	8.67	-55.72
CN1C(=O)CCC2=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C21	REAL300012047393	0	52	0.0	-75.41	419.58	10.89	-64.52
CC1=CC=C(OC(F)F)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047394	0	48	0.0	-65.99	402.18	10.27	-55.72
CC1=NN(C(C)C)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047395	0	50	0.0	-67.68	405.85	9.66	-58.02
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2CCCC2)S1)CC(F)(F)F	REAL300012047396	0	50	0.0	-66.01	414.34	10.58	-55.43
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2CC2)S1)CC(F)(F)F	REAL300012047397	0	44	0.0	-66.50	380.34	9.58	-56.92
CC(C)C1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047398	0	46	0.0	-66.41	391.84	9.28	-57.13
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2=CC=CO2)S1)CC(F)(F)F	REAL300012047399	0	44	0.0	-69.57	390.22	9.05	-60.52
CN1C=C(C2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C2)C=N1	REAL300012047400	0	51	0.0	-71.07	422.99	11.27	-59.80
O=C([O-])C(CCCC[NH2+]CC1=CN(CC(F)F)N=C1)CC(F)(F)F	REAL300012047401	0	44	0.0	-73.92	379.06	8.96	-64.96
CN(C)C(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N1	REAL300012047402	0	49	0.0	-77.78	399.34	8.12	-69.66
NC(=O)C1=CSC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047403	0	42	0.0	-72.43	369.21	5.83	-66.60
CCC1=NN(C)C(CC)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047404	0	53	0.0	-68.40	427.74	10.18	-58.22
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2CCC2)S1)CC(F)(F)F	REAL300012047405	0	47	0.0	-66.04	396.98	10.06	-55.98
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2CCCO2)S1)CC(F)(F)F	REAL300012047406	0	48	0.0	-70.29	406.93	8.18	-62.11
CC1=CC=CC=C1N1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N=N1	REAL300012047407	0	50	0.0	-68.29	411.37	10.51	-57.78
CN1N=C(Br)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047408	0	41	0.0	-73.83	364.76	8.01	-65.82
CN1C=C(C2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S2)C=N1	REAL300012047409	0	48	0.0	-68.76	416.38	10.63	-58.13
O=C([O-])C(CCCC[NH2+]CC1=CC=C2OCCCCOC2=C1)CC(F)(F)F	REAL300012047410	0	53	0.0	-71.28	421.51	10.83	-60.45
CCOC1=C(Cl)C=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047411	0	48	0.0	-65.93	409.88	10.83	-55.10
CCC1=CC=CC(F)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047412	0	47	0.0	-62.84	383.36	11.20	-51.64
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C(Cl)=C1Cl)CC(F)(F)F	REAL300012047413	0	41	0.0	-67.86	375.76	10.95	-56.91
O=C([O-])C(CCCC[NH2+]CC1=NN(C(F)F)C=C1)CC(F)(F)F	REAL300012047414	0	41	0.0	-66.96	359.10	7.87	-59.09
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047415	0	52	0.0	-67.29	428.01	10.33	-56.96
O=C([O-])C(CCCC[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1)CC(F)(F)F	REAL300012047416	0	48	0.0	-67.91	405.22	10.93	-56.98
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012047417	0	54	0.0	-61.92	440.28	11.78	-50.14
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012047418	0	54	0.0	-66.19	436.31	11.45	-54.74
CC(C)C1=CN=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047419	0	46	0.0	-64.26	390.99	9.30	-54.96
CC(C)(C)C1=CN=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047420	0	49	0.0	-64.13	408.76	9.74	-54.39
O=C([O-])C(CCCC[NH2+]CC1=C(C2CC2)N=CS1)CC(F)(F)F	REAL300012047421	0	44	0.0	-67.17	378.36	9.39	-57.78
COC(=O)C1=C(C)N(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047422	0	51	0.0	-75.03	420.91	10.47	-64.56
COCCCN1N=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047423	0	51	0.0	-69.94	415.31	8.29	-61.65
CC1=CC(F)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(Cl)=C1	REAL300012047424	0	44	0.0	-59.65	383.65	11.06	-48.59
COCCOCC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047425	0	55	0.0	-68.33	452.97	9.90	-58.43
CSCC1=CN=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047426	0	44	0.0	-66.73	394.29	9.12	-57.61
O=C([O-])C(CCCC[NH2+]CC1=CSC=C1C(F)(F)F)CC(F)(F)F	REAL300012047427	0	41	0.0	-63.40	362.77	9.93	-53.47
CCN1N=C(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047428	0	46	0.0	-66.36	381.57	7.53	-58.83
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(C2CC2)=C1)CC(F)(F)F	REAL300012047429	0	48	0.0	-64.89	391.64	12.04	-52.85
CC1=NN(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047430	0	44	0.0	-70.84	364.98	8.09	-62.75
N#CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1F	REAL300012047431	0	42	0.0	-79.93	369.18	10.38	-69.55
O=C([O-])C(CCCC[NH2+]CC1=CC=C2OC(F)(F)OC2=C1)CC(F)(F)F	REAL300012047432	0	44	0.0	-75.25	382.48	9.06	-66.19
CC1=CC(F)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012047433	0	44	0.0	-60.70	374.90	10.68	-50.02
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300012047434	0	51	0.0	-66.47	426.46	10.37	-56.10
CC(C)CN1N=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047435	0	50	0.0	-69.13	400.46	10.04	-59.09
COC(=O)C1=C(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CN1	REAL300012047436	0	48	0.0	-72.77	400.44	8.98	-63.79
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047437	0	54	0.0	-70.70	442.24	12.42	-58.28
CC(C)(C#N)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047438	0	51	0.0	-71.64	419.04	11.90	-59.74
CC(C)C1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047439	0	50	0.0	-63.75	396.78	11.75	-52.00
O=C([O-])C(CCCC[NH2+]CC1=NN2CCCCC2=C1)CC(F)(F)F	REAL300012047440	0	48	0.0	-62.71	387.03	9.28	-53.43
O=C([O-])C(CCCC[NH2+]CC1=CN=NN1C1=CC=CC=C1)CC(F)(F)F	REAL300012047441	0	47	0.0	-71.13	392.92	9.60	-61.53
O=C([O-])C(CCCC[NH2+]CC1=CC2=CN=CC=C2O1)CC(F)(F)F	REAL300012047442	0	43	0.0	-70.47	365.04	8.74	-61.73
COC1=CC(OC)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1F	REAL300012047443	0	49	0.0	-67.50	406.69	8.70	-58.80
COC1=CC(F)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OC	REAL300012047444	0	49	0.0	-67.13	406.08	9.21	-57.92
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(Cl)=C1	REAL300012047445	0	44	0.0	-62.85	376.54	11.05	-51.80
CCC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047446	0	47	0.0	-64.41	385.31	11.38	-53.03
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047447	0	54	0.0	-71.22	442.82	12.43	-58.79
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012047448	0	45	0.0	-67.30	377.93	9.28	-58.02
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1CCC2)CC(F)(F)F	REAL300012047449	0	48	0.0	-64.26	386.64	11.77	-52.49
COC1=CC=CC(F)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047450	0	45	0.0	-59.03	375.91	9.33	-49.70
CCCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012047451	0	54	0.0	-66.07	430.05	11.60	-54.47
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=NC=C2S1)CC(F)(F)F	REAL300012047452	0	43	0.0	-69.97	374.55	9.70	-60.27
O=C([O-])C(CCCC[NH2+]CC1=C2CCCN2N=C1)CC(F)(F)F	REAL300012047453	0	45	0.0	-67.65	368.90	8.55	-59.10
CCC1=C2OC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC2=CC=C1	REAL300012047454	0	50	0.0	-67.39	413.65	11.92	-55.47
C=CCCN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N=N1	REAL300012047455	0	47	0.0	-68.55	395.40	8.62	-59.93
O=C([O-])C(CCCC[NH2+]CC1=CC=NN1CC1CC1)CC(F)(F)F	REAL300012047456	0	48	0.0	-67.77	391.87	10.00	-57.77
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(OC2CC2)=C1F)CC(F)(F)F	REAL300012047457	0	49	0.0	-67.98	408.35	10.95	-57.03
CCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012047458	0	51	0.0	-66.32	408.61	10.79	-55.53
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(F)=C1OC(F)F)CC(F)(F)F	REAL300012047459	0	45	0.0	-68.71	387.20	9.68	-59.03
O=C([O-])C(CCCC[NH2+]CC1=CC(F)=CC=C1OC(F)F)CC(F)(F)F	REAL300012047460	0	45	0.0	-67.72	386.72	9.66	-58.06
COC1=NC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047461	0	44	0.0	-65.43	368.20	6.72	-58.71
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(C2CCCC2)=C1)CC(F)(F)F	REAL300012047462	0	54	0.0	-64.77	427.10	13.17	-51.60
CN1C=C(C2=NN(C)C=C2C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300012047463	0	51	0.0	-69.95	425.69	8.94	-61.01
COCC1=CSC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047464	0	45	0.0	-65.39	388.39	8.79	-56.60
O=C([O-])C(CCCC[NH2+]CC1=CN(C2CCC2)N=N1)CC(F)(F)F	REAL300012047465	0	47	0.0	-67.83	385.05	8.44	-59.39
O=C([O-])C(CCCC[NH2+]CC1=CSC(C(F)(F)F)=C1)CC(F)(F)F	REAL300012047466	0	41	0.0	-70.84	373.04	10.09	-60.75
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C(F)(F)F)O1)CC(F)(F)F	REAL300012047467	0	41	0.0	-68.99	364.35	9.31	-59.68
O=C([O-])C(CCCC[NH2+]CC1=C(C(F)(F)F)SC=C1)CC(F)(F)F	REAL300012047468	0	41	0.0	-60.54	363.66	10.09	-50.45
CN(C)C1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=CC(F)=C1F	REAL300012047469	0	49	0.0	-70.90	402.08	10.01	-60.89
O=C([O-])C(CCCC[NH2+]CC1=C(F)C=CC(F)=C1Cl)CC(F)(F)F	REAL300012047470	0	41	0.0	-62.15	368.08	10.44	-51.71
O=C([O-])C(CCCC[NH2+]CC1=CC=C(OC2CCOC2)C=C1)CC(F)(F)F	REAL300012047471	0	53	0.0	-69.60	428.29	9.61	-59.99
CN(C)C1=CC(F)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1F	REAL300012047472	0	49	0.0	-66.83	408.28	9.54	-57.29
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C(F)=C1F)CC(F)(F)F	REAL300012047473	0	41	0.0	-71.23	359.99	10.13	-61.10
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OC1CC1	REAL300012047474	0	53	0.0	-71.69	432.33	10.83	-60.86
CCCN1N=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047475	0	47	0.0	-69.22	382.07	9.24	-59.98
CN1N=C(C(F)(F)F)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047476	0	44	0.0	-76.71	384.86	8.51	-68.20
COCC(C)OC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047477	0	55	0.0	-69.08	444.81	10.20	-58.88
CCCC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047478	0	47	0.0	-63.20	397.96	11.42	-51.78
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CC=CS2)C=C1)CC(F)(F)F	REAL300012047479	0	48	0.0	-68.06	410.23	12.58	-55.48
O=C([O-])C(CCCC[NH2+]CC1=CC=NN1CCC1=CC=CC=C1)CC(F)(F)F	REAL300012047480	0	54	0.0	-72.31	441.54	12.24	-60.07
CC(C)C1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047481	0	50	0.0	-64.64	403.09	11.88	-52.76
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(Cl)=N1	REAL300012047482	0	41	0.0	-65.92	361.83	8.16	-57.76
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1C(C)(C)C	REAL300012047483	0	57	0.0	-66.45	443.09	11.93	-54.52
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(CC2CCC2)=C1)CC(F)(F)F	REAL300012047484	0	54	0.0	-64.75	433.92	13.47	-51.28
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=NC=C1Br	REAL300012047485	0	43	0.0	-65.17	377.24	9.30	-55.87
O=C([O-])C(CCCC[NH2+]CC1=C(O)C=CC=C1Br)CC(F)(F)F	REAL300012047486	0	42	0.0	-63.81	370.64	7.66	-56.15
CN1C=C(C2=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CS2)C=N1	REAL300012047487	0	47	0.0	-66.83	411.94	8.53	-58.30
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1Cl	REAL300012047488	0	45	0.0	-71.40	387.95	9.79	-61.61
O=C([O-])C(CCCC[NH2+]CC1=CC=NN1CC1CCC1)CC(F)(F)F	REAL300012047489	0	51	0.0	-70.87	413.56	10.51	-60.36
O=C([O-])C(CCCC[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)CC(F)(F)F	REAL300012047490	0	47	0.0	-71.44	402.19	9.86	-61.58
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1CC(F)(F)F)CC(F)(F)F	REAL300012047491	0	47	0.0	-66.69	391.62	11.52	-55.17
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(Br)=N1	REAL300012047492	0	41	0.0	-65.30	365.89	8.23	-57.07
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012047493	0	44	0.0	-64.07	369.40	10.65	-53.42
CC(=O)NC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047494	0	48	0.0	-74.36	398.96	8.87	-65.49
CN1N=CC2=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CN=C21	REAL300012047495	0	46	0.0	-76.31	386.73	9.08	-67.23
COC1=CC(Cl)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OC	REAL300012047496	0	49	0.0	-65.64	413.40	9.64	-56.00
O=C([O-])C(CCCC[NH2+]CC1=CC=C(CC(F)(F)F)C=C1)CC(F)(F)F	REAL300012047497	0	47	0.0	-68.10	403.88	11.75	-56.35
CN1N=C2CCCCC2=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047498	0	51	0.0	-71.02	407.06	9.95	-61.07
CCOC(=O)C1=C(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C(C)N1	REAL300012047499	0	54	0.0	-68.90	442.49	10.32	-58.58
CC1=C(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300012047500	0	44	0.0	-64.27	369.45	10.29	-53.98
O=C([O-])C(CCCC[NH2+]CC1=CN=C(Cl)C(F)=C1)CC(F)(F)F	REAL300012047501	0	40	0.0	-76.49	360.46	8.65	-67.84
O=C([O-])C(CCCC[NH2+]CC1=C(Br)SC=C1)CC(F)(F)F	REAL300012047502	0	38	0.0	-61.00	350.82	9.62	-51.38
CCOC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C(F)C=C1OC	REAL300012047503	0	52	0.0	-67.07	427.93	10.13	-56.94
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C2=CC=CC=C12)CC(F)(F)F	REAL300012047504	0	47	0.0	-70.98	389.39	12.13	-58.85
O=C([O-])C(CCCC[NH2+]CC1=CC=CN=C1Br)CC(F)(F)F	REAL300012047505	0	40	0.0	-63.98	352.94	8.63	-55.35
CC(C)OC1=CC=C(F)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047506	0	51	0.0	-63.25	416.74	10.93	-52.32
CCOC1=CC(F)=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047507	0	48	0.0	-68.85	400.64	10.25	-58.60
O=C([O-])C(CCCC[NH2+]CC1=CC=C(OC(F)F)C=C1F)CC(F)(F)F	REAL300012047508	0	45	0.0	-67.89	387.69	9.56	-58.33
CC(C)(C)OC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047509	0	54	0.0	-65.74	422.83	11.07	-54.67
CC1=C(Cl)C=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047510	0	44	0.0	-67.09	371.73	11.02	-56.07
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C(F)C=C1C	REAL300012047511	0	48	0.0	-63.87	396.96	10.05	-53.82
CC1=CC=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1Br	REAL300012047512	0	43	0.0	-59.86	374.07	9.20	-50.66
CC(C)(C)C1=CSC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047513	0	49	0.0	-64.91	408.45	9.69	-55.22
COCCC1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047514	0	47	0.0	-68.56	404.73	7.75	-60.81
O=C([O-])C(CCCC[NH2+]CC1=CC(F)=CC(F)=C1O)CC(F)(F)F	REAL300012047515	1	42	0.0	-70.04	365.14	7.31	-62.73
CN1N=C2CCSCC2=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047516	0	49	0.0	-72.21	405.99	9.59	-62.62
CCN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012047517	0	54	0.0	-67.82	443.76	12.00	-55.82
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1CCOC2)CC(F)(F)F	REAL300012047518	0	49	0.0	-66.61	389.70	9.93	-56.68
COCC1=C(C)C=C(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1C	REAL300012047519	0	57	0.0	-65.71	444.39	11.18	-54.53
O=C([O-])C(CCCC[NH2+]CC1=CC=C2OC(=O)OC2=C1)CC(F)(F)F	REAL300012047520	0	43	0.0	-79.58	370.19	10.49	-69.09
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=NC=CC=C12)CC(F)(F)F	REAL300012047521	0	46	0.0	-71.94	378.99	10.21	-61.73
CCCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1C	REAL300012047522	0	54	0.0	-67.13	435.80	11.73	-55.40
O=C([O-])C(CCCC[NH2+]CC1=CC2=NC=CN=C2C=C1)CC(F)(F)F	REAL300012047523	0	45	0.0	-73.58	378.47	8.36	-65.22
CCOC1=CC=CC(F)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047524	0	48	0.0	-58.97	398.20	10.27	-48.70
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012047525	0	46	0.0	-77.40	380.06	11.06	-66.34
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047526	0	49	0.0	-76.43	399.10	11.49	-64.94
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(F)=C1OC	REAL300012047527	0	49	0.0	-71.30	410.91	9.30	-62.00
COC(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012047528	0	47	0.0	-73.63	402.77	10.63	-63.00
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)CC(F)(F)F	REAL300012047529	0	51	0.0	-69.37	429.07	10.32	-59.05
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1OCC(F)F)CC(F)(F)F	REAL300012047530	0	48	0.0	-64.72	405.38	10.56	-54.16
CC1=COC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047531	0	41	0.0	-64.72	345.52	8.78	-55.94
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Cl)C=N1)CC(F)(F)F	REAL300012047532	0	40	0.0	-65.38	354.14	8.62	-56.76
CC1=CC(C#N)=CC(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047533	0	48	0.0	-72.34	396.35	11.39	-60.95
CC1=CN=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300012047534	0	40	0.0	-66.52	340.28	5.52	-61.00
O=C([O-])C(CCCC[NH2+]CC1=CN(CCF)N=C1)CC(F)(F)F	REAL300012047535	0	44	0.0	-68.88	373.37	8.75	-60.13
CC(C)(C)C1=COC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047536	0	49	0.0	-66.47	399.97	7.31	-59.16
CCCC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047537	0	50	0.0	-64.32	406.81	12.16	-52.16
CC1=C2C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=NC2=NN1	REAL300012047538	0	46	0.0	-78.65	385.49	8.47	-70.18
O=C([O-])C(CCCC[NH2+]CC1=NC=CS1)CC(F)(F)F	REAL300012047539	0	37	0.0	-65.12	327.66	7.10	-58.02
CS(=O)(=O)NC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047540	0	49	0.0	-77.34	416.48	6.67	-70.67
CN1N=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2=CC=CC=C21	REAL300012047541	0	47	0.0	-67.41	392.37	9.86	-57.55
O=C([O-])C(CCCC[NH2+]CC1=C2C=CC=CC2=NN1)CC(F)(F)F	REAL300012047542	0	44	0.0	-74.74	369.32	8.56	-66.18
O=C([O-])C(CCCC[NH2+]CC1=NNC2=CC=CC=C21)CC(F)(F)F	REAL300012047542	1	44	0.0	-66.17	369.96	8.59	-57.58
CN1C(Cl)=NC(Cl)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047543	0	41	0.0	-69.74	375.88	9.23	-60.51
CCC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047544	0	44	0.0	-62.81	376.02	10.63	-52.18
O=C([O-])C(CCCC[NH2+]CC1=NC=CC2=CC=CC=C21)CC(F)(F)F	REAL300012047545	0	46	0.0	-64.51	380.60	10.25	-54.26
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N2C=CC=CC2=N1	REAL300012047546	0	47	0.0	-71.75	390.25	10.95	-60.80
CCC1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047547	0	43	0.0	-66.36	370.61	8.66	-57.70
COC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])SC=C1	REAL300012047548	0	42	0.0	-60.33	362.55	8.35	-51.98
O=C([O-])C(CCCC[NH2+]CC1=CC(C2=CC=CC=N2)=NN1)CC(F)(F)F	REAL300012047549	0	47	0.0	-72.93	398.61	8.19	-64.74
O=C([O-])C(CCCC[NH2+]CC1=CSC=C1Cl)CC(F)(F)F	REAL300012047550	0	38	0.0	-63.43	347.52	9.37	-54.06
CC1=NN2C(=NC(C)=C2C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047551	0	46	0.0	-69.29	397.67	9.14	-60.15
CCCC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012047552	0	53	0.0	-67.98	419.91	12.68	-55.30
O=C([O-])C(CCCC[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)CC(F)(F)F	REAL300012047553	0	46	0.0	-58.24	396.18	10.88	-47.36
O=C([O-])C(CCCC[NH2+]CC1CC2CCC1C2)CC(F)(F)F	REAL300012047554	0	48	0.0	-55.23	359.40	10.24	-44.99
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)N=C1)CC(F)(F)F	REAL300012047555	0	40	0.0	-73.74	343.68	8.10	-65.64
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C(F)(F)F)S1)CC(F)(F)F	REAL300012047556	0	41	0.0	-69.53	373.73	10.27	-59.26
O=C([O-])C(CCCC[NH2+]CC1(C(F)F)CC1)CC(F)(F)F	REAL300012047557	0	41	0.0	-56.10	339.55	9.18	-46.92
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])NN=C1	REAL300012047558	0	41	0.0	-69.34	341.90	7.00	-62.34
CC1=CNN=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047558	1	41	0.0	-63.06	343.24	6.97	-56.09
CC1=CN=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N1C	REAL300012047559	0	44	0.0	-68.50	363.28	8.82	-59.68
CC(C)C1CCC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012047560	0	56	0.0	-64.51	412.76	11.75	-52.76
COCC1=CC=CC=C1C=C(C)C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047561	0	55	0.0	-68.86	442.04	11.58	-57.28
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047562	0	51	0.0	-66.32	414.97	10.78	-55.54
O=C([O-])C(CCCC[NH2+]CC1=CON=C1CC1=CC=CC=C1)CC(F)(F)F	REAL300012047563	0	50	0.0	-74.12	417.83	11.68	-62.44
CCC1=NOC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047564	0	43	0.0	-70.35	356.20	8.75	-61.60
CN1N=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1Cl	REAL300012047565	0	41	0.0	-65.37	361.06	8.08	-57.29
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=CN=C2O1)CC(F)(F)F	REAL300012047566	0	43	0.0	-70.96	365.08	7.42	-63.54
COC1=CC=C(N2C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N2)C=C1	REAL300012047567	0	52	0.0	-73.11	431.19	10.46	-62.65
CC1=CN=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047568	0	43	0.0	-68.80	353.03	8.80	-60.00
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC(Cl)=CN=C2O1)CC(F)(F)F	REAL300012047569	0	43	0.0	-71.35	381.85	7.92	-63.43
O=C([O-])C(CCCC[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1)CC(F)(F)F	REAL300012047570	0	48	0.0	-66.58	392.05	12.08	-54.50
O=C([O-])C(CCCC[NH2+]CC1=CC=NC=C1Br)CC(F)(F)F	REAL300012047571	0	40	0.0	-64.20	353.24	8.75	-55.45
CS(=O)(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047572	0	44	0.0	-75.01	395.96	6.65	-68.36
O=C([O-])C(CCCC[NH2+]CC1=CC=NN1C1=CC=CC=N1)CC(F)(F)F	REAL300012047573	0	47	0.0	-63.56	394.61	10.64	-52.92
CC(C)(C)N1N=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047574	1	48	0.0	-65.18	395.79	7.75	-57.43
CC(C)N1C=CN=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047575	0	47	0.0	-64.67	383.28	9.76	-54.91
CC1=C(Br)C=NC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047576	0	43	0.0	-69.21	370.87	9.30	-59.91
CN1N=CC(C(F)(F)F)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047577	0	44	0.0	-68.39	380.50	8.55	-59.84
CN1N=CC(C2CC2)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047578	0	48	0.0	-69.65	393.15	9.58	-60.07
CN1N=CC(C2CCC2)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047579	0	51	0.0	-70.64	409.96	10.11	-60.53
CC1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N1C	REAL300012047580	0	44	0.0	-70.65	363.81	8.95	-61.70
CC1=C2C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])NC2=CC=C1	REAL300012047581	0	48	0.0	-69.24	395.27	10.53	-58.71
O=C([O-])C(CCCC[NH2+]CC1=CC=NN1C1=CC=NC=C1)CC(F)(F)F	REAL300012047582	0	47	0.0	-68.94	393.65	9.09	-59.85
CC1=CC=C2C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])NC2=C1	REAL300012047583	0	48	0.0	-69.03	395.68	10.54	-58.49
CC1=NC=CN=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047584	0	42	0.0	-67.56	349.84	6.77	-60.79
CCOC1=CN=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047585	0	47	0.0	-69.19	388.71	8.35	-60.84
O=C([O-])C(CCCC[NH2+]CC1=CC=NC=C1Cl)CC(F)(F)F	REAL300012047586	0	40	0.0	-65.19	350.07	8.67	-56.52
O=C([O-])C(CCCC[NH2+]CC1=CC=NN1C1CCOCC1)CC(F)(F)F	REAL300012047587	0	52	0.0	-73.99	418.09	8.57	-65.42
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=NNC=C21)CC(F)(F)F	REAL300012047588	0	44	0.0	-74.17	368.99	8.66	-65.51
CCC(F)(F)C(C)(C)C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047589	0	49	0.0	-65.50	381.93	10.32	-55.18
O=C([O-])C(CCCC[NH2+]CC1=CC=NC(F)=C1)CC(F)(F)F	REAL300012047590	0	40	0.0	-75.28	344.18	8.13	-67.15
O=C([O-])C(CCCC[NH2+]CC1=CC=C2C=CNC2=C1)CC(F)(F)F	REAL300012047591	0	45	0.0	-67.32	373.79	9.97	-57.35
O=C([O-])C(CCCC[NH2+]CC1=CC2=C(C=CNC2=O)O1)CC(F)(F)F	REAL300012047592	0	44	0.0	-75.76	375.04	7.43	-68.33
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C(F)F)N=C1)CC(F)(F)F	REAL300012047593	0	43	0.0	-72.77	372.29	9.04	-63.73
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047594	0	50	0.0	-68.22	415.56	10.36	-57.86
O=C([O-])C(CCCC[NH2+]CC1=CN(CC2CCOC2)N=N1)CC(F)(F)F	REAL300012047595	0	51	0.0	-71.43	417.33	7.41	-64.02
COC1=CN=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1C	REAL300012047596	0	47	0.0	-68.70	381.68	8.06	-60.64
CC1=CC(C)=C(C=CC[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012047597	0	54	0.0	-67.67	432.93	13.09	-54.58
O=C([O-])C(CCCC[NH2+]CC1=CN(CC2CCCO2)N=N1)CC(F)(F)F	REAL300012047598	0	51	0.0	-69.42	417.88	7.55	-61.87
CCCN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N=N1	REAL300012047599	0	46	0.0	-68.18	382.15	8.05	-60.13
CN(C)C1=CC=C(F)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047600	0	49	0.0	-63.38	400.04	10.04	-53.34
O=C([O-])C(CCCC[NH2+]CC1=CN(C2CC2)C=N1)CC(F)(F)F	REAL300012047601	0	45	0.0	-62.08	373.79	10.60	-51.48
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=CC(F)=C2N=C1)CC(F)(F)F	REAL300012047602	0	46	0.0	-78.16	390.29	10.40	-67.76
CC1=CC(C)=C(C=CC[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1C	REAL300012047603	0	54	0.0	-67.56	429.78	12.98	-54.58
CC1=NSC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047604	0	40	0.0	-69.03	349.42	8.38	-60.65
NS(=O)(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047605	0	46	0.0	-77.39	396.61	4.91	-72.48
CCN1N=CN=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047606	0	43	0.0	-69.68	356.26	9.13	-60.55
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2CC2)O1)CC(F)(F)F	REAL300012047607	0	44	0.0	-67.66	371.14	7.25	-60.41
CCC1=CNC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047608	0	44	0.0	-66.18	365.20	8.01	-58.17
O=C([O-])C(CCCC[NH2+]CC1=NC=CC2=C1CCCC2)CC(F)(F)F	REAL300012047609	0	50	0.0	-62.64	395.82	10.46	-52.18
CC1=NN(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1Cl	REAL300012047610	0	44	0.0	-67.70	381.51	8.60	-59.10
CN1C=CC(C2=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CS2)=N1	REAL300012047611	0	47	0.0	-68.35	412.49	8.43	-59.92
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2CCCC2)=N1	REAL300012047612	0	54	0.0	-68.82	430.75	10.85	-57.97
CC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1Br	REAL300012047613	0	44	0.0	-62.61	377.36	11.08	-51.53
O=C([O-])C(CCCC[NH2+]CC1=CC=C2OCCCC2=C1)CC(F)(F)F	REAL300012047614	0	49	0.0	-67.73	396.57	10.59	-57.14
CN(C)C(=O)C1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047615	0	51	0.0	-72.77	414.35	9.81	-62.96
CCC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(Cl)=NN1	REAL300012047616	0	44	0.0	-65.43	380.94	8.08	-57.35
O=C([O-])C(CCCC[NH2+]CC1=C(C2CC2)NN=C1Cl)CC(F)(F)F	REAL300012047617	0	45	0.0	-63.88	388.79	8.89	-54.99
CCC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=NO1	REAL300012047618	0	46	0.0	-69.76	377.12	9.53	-60.23
CCN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N=N1	REAL300012047619	0	43	0.0	-68.43	360.65	7.29	-61.14
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C2CCCCC2=N1	REAL300012047620	0	53	0.0	-69.76	415.01	11.13	-58.63
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1N1CCCCC1)CC(F)(F)F	REAL300012047621	0	56	0.0	-61.81	436.68	12.02	-49.79
CCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300012047622	0	45	0.0	-67.00	378.48	9.47	-57.53
O=C([O-])C(CCCC[NH2+]CC1=CSC(C(F)(F)F)=N1)CC(F)(F)F	REAL300012047623	0	40	0.0	-67.44	368.07	8.06	-59.38
CCN1C=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047624	0	44	0.0	-62.02	366.30	10.12	-51.90
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CN=C1F	REAL300012047625	0	43	0.0	-75.04	364.51	8.74	-66.30
CC1=CC(F)=NC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047626	0	43	0.0	-72.41	359.70	8.67	-63.74
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C(F)F)C(F)=C1)CC(F)(F)F	REAL300012047627	0	44	0.0	-72.59	382.07	10.92	-61.67
COC(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1C	REAL300012047628	0	50	0.0	-73.16	413.43	11.15	-62.01
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012047629	0	48	0.0	-66.76	387.19	9.87	-56.89
CC1=C(Cl)C=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1Cl	REAL300012047630	0	44	0.0	-65.96	387.92	11.40	-54.56
CC1CC2=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C2O1	REAL300012047631	0	49	0.0	-68.32	399.31	10.52	-57.80
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1OC(=O)N2)CC(F)(F)F	REAL300012047632	0	44	0.0	-74.09	374.62	7.45	-66.64
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1OCC2)CC(F)(F)F	REAL300012047633	0	46	0.0	-63.36	378.62	9.79	-53.57
CSCC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047634	0	48	0.0	-67.02	408.99	11.85	-55.17
O=C([O-])C(CCCC[NH2+]CC1=CN(CC2CCC2)N=C1)CC(F)(F)F	REAL300012047635	0	51	0.0	-68.74	415.12	10.71	-58.03
CN1N=C2CCOCC2=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047636	0	49	0.0	-72.85	398.18	7.56	-65.29
CN1N=C2CCCC2=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047637	0	48	0.0	-70.63	389.15	9.42	-61.21
O=C([O-])C(CCCC[NH2+]CC1=CC=NN1C1CCC1)CC(F)(F)F	REAL300012047638	0	48	0.0	-71.13	392.03	9.78	-61.35
O=C([O-])C(CCCC[NH2+]CC1=CN(C2CCC2)N=C1)CC(F)(F)F	REAL300012047639	0	48	0.0	-67.41	391.03	9.74	-57.67
COC(=O)COC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047640	0	51	0.0	-66.35	427.31	10.92	-55.43
COC1=CC=C(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047641	0	48	0.0	-64.47	386.75	9.86	-54.61
CN1C=NC2=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C21	REAL300012047642	0	47	0.0	-71.60	381.28	11.21	-60.39
CCC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047643	0	47	0.0	-63.68	376.35	11.24	-52.44
CN(C)C(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047644	0	51	0.0	-77.07	413.11	9.78	-67.29
CC1=CC(F)=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047645	0	44	0.0	-67.65	370.25	10.68	-56.97
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1C	REAL300012047646	0	50	0.0	-63.54	392.42	11.69	-51.85
CCNC(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047647	0	51	0.0	-75.24	420.83	9.09	-66.15
CC(C)(C)C1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047648	0	53	0.0	-59.65	394.62	12.08	-47.57
O=C([O-])C(CCCC[NH2+]CC1=CN=C2CCCCCN12)CC(F)(F)F	REAL300012047649	0	51	0.0	-70.23	398.89	10.35	-59.88
COC1=CC=C2SC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC2=C1	REAL300012047650	0	48	0.0	-67.87	409.80	10.79	-57.08
O=C([O-])C(CCCC[NH2+]CC1=CON=C1C1CC1)CC(F)(F)F	REAL300012047651	0	44	0.0	-71.78	371.02	9.57	-62.21
CCN1CCC2=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C21	REAL300012047652	0	53	0.0	-66.68	422.17	10.58	-56.10
CCN(C)C(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047653	0	54	0.0	-76.61	435.59	10.82	-65.79
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=NN1C(C)C	REAL300012047654	0	50	0.0	-66.58	405.81	9.73	-56.85
CSC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1Cl	REAL300012047655	0	45	0.0	-71.03	397.65	11.41	-59.62
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1C1CC1	REAL300012047656	0	51	0.0	-64.79	409.45	12.56	-52.23
CCOC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=N1	REAL300012047657	0	47	0.0	-69.81	391.37	7.58	-62.23
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1C1CC1	REAL300012047658	0	51	0.0	-64.76	409.46	12.56	-52.20
CC1=NN(C2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C2)C=C1	REAL300012047659	0	54	0.0	-73.48	438.56	12.28	-61.20
COC(=O)C1=CC2=C(C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O2)N1	REAL300012047660	0	48	0.0	-73.52	411.46	8.75	-64.77
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300012047661	0	42	0.0	-67.13	356.63	8.53	-58.60
COCCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300012047662	0	49	0.0	-69.13	412.11	8.71	-60.42
CC1=NN(C(C)C)C(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047663	0	53	0.0	-66.40	425.72	10.25	-56.15
O=C([O-])C(CCCC[NH2+]CC1=NN(CCF)C=C1)CC(F)(F)F	REAL300012047664	0	44	0.0	-64.94	373.87	8.68	-56.26
CCN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012047665	0	47	0.0	-68.58	386.87	9.22	-59.36
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2CC2)=N1	REAL300012047666	0	48	0.0	-69.20	397.74	9.94	-59.26
CN1N=C(C2CC2)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047667	0	48	0.0	-71.40	394.75	9.60	-61.80
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047668	0	51	0.0	-73.29	414.24	12.88	-60.41
CC(C)C1=NOC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047669	0	46	0.0	-71.49	381.10	9.25	-62.24
O=C([O-])C(CCCC[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1)CC(F)(F)F	REAL300012047670	0	45	0.0	-67.32	399.11	8.88	-58.44
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2CCOCC2)O1)CC(F)(F)F	REAL300012047671	0	51	0.0	-70.04	415.15	6.42	-63.62
COC1=NC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1F	REAL300012047672	0	44	0.0	-71.56	375.54	6.71	-64.85
O=C([O-])C(CCCC[NH2+]CC1=CN2C=CN=C2S1)CC(F)(F)F	REAL300012047673	0	41	0.0	-75.69	360.25	9.92	-65.77
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012047674	0	53	0.0	-64.59	426.82	11.52	-53.07
CC1=C(C)SC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047675	0	43	0.0	-64.81	368.34	8.41	-56.40
O=C([O-])C(CCCC[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1)CC(F)(F)F	REAL300012047676	0	50	0.0	-70.49	421.03	10.31	-60.18
CC1=CC(Br)=CN=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047677	0	43	0.0	-64.75	375.42	9.30	-55.45
CC1OC2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C2C1C	REAL300012047678	0	52	0.0	-69.35	416.27	11.06	-58.29
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OC(F)F	REAL300012047679	0	48	0.0	-65.37	401.75	10.27	-55.10
O=C([O-])C(CCCC[NH2+]CC1=CSN=C1)CC(F)(F)F	REAL300012047680	0	37	0.0	-70.03	326.94	7.59	-62.44
CC(C)CC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047681	0	53	0.0	-63.91	415.31	12.49	-51.42
CN1N=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1S(C)(=O)=O	REAL300012047682	0	47	0.0	-75.15	395.33	5.32	-69.83
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])NN=C1C(F)(F)F	REAL300012047683	0	44	0.0	-75.04	380.14	7.89	-67.15
CC(C)CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N=N1	REAL300012047684	0	49	0.0	-67.87	397.84	8.69	-59.18
O=C([O-])C(CCCC[NH2+]CC1=NC(C2CC2)=CS1)CC(F)(F)F	REAL300012047685	0	44	0.0	-65.59	378.51	9.17	-56.42
O=C([O-])C(CCCC[NH2+]CC1=CC(C(F)(F)F)=NN1)CC(F)(F)F	REAL300012047686	0	41	0.0	-75.93	363.93	7.30	-68.63
O=C([O-])C(CCCC[NH2+]CC1=CC=C2CCOC2=C1)CC(F)(F)F	REAL300012047687	0	46	0.0	-67.91	378.28	9.78	-58.13
CN1C=C(Cl)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047688	0	41	0.0	-62.40	361.87	8.16	-54.24
CS(=O)(=O)C1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=CS1	REAL300012047689	0	44	0.0	-70.04	382.06	6.84	-63.20
CSC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047690	0	45	0.0	-66.50	382.65	10.96	-55.54
CC(C)C1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N(C)N=C1	REAL300012047691	0	50	0.0	-69.85	404.57	9.43	-60.42
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC(C)=N1	REAL300012047692	0	46	0.0	-70.01	380.53	9.40	-60.61
CCCN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012047693	0	50	0.0	-68.10	407.93	9.96	-58.14
CCN1C=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047694	0	44	0.0	-63.41	367.28	8.54	-54.87
O=C([O-])C(CCCC[NH2+]CC1=CC2=NC=CC=C2O1)CC(F)(F)F	REAL300012047695	0	43	0.0	-71.03	365.05	8.66	-62.37
CC1=C(C)OC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047696	0	43	0.0	-66.66	361.44	6.12	-60.54
O=C([O-])C(CCCC[NH2+]CC1=CC=C(CC2CC2)S1)CC(F)(F)F	REAL300012047697	0	48	0.0	-63.44	408.07	12.21	-51.23
O=C([O-])C(CCCC[NH2+]CC1=CC=C(OC2CC2)C=C1)CC(F)(F)F	REAL300012047698	0	49	0.0	-67.97	403.58	10.93	-57.04
CC1=NC=CN1C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012047699	0	54	0.0	-74.05	437.62	12.96	-61.09
CC1=C(C)N(C2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C2)C=N1	REAL300012047700	0	54	0.0	-75.10	440.16	13.55	-61.55
CNC(=O)C1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047701	0	48	0.0	-72.90	399.35	8.23	-64.67
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)CC(F)(F)F	REAL300012047702	0	55	0.0	-65.67	437.84	13.99	-51.68
CCNC(=O)C1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047704	0	51	0.0	-72.29	420.39	9.06	-63.23
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012047705	0	47	0.0	-69.19	397.58	11.18	-58.01
O=C([O-])C(CCCC[NH2+]CC1=CC(C2CCC2)=NN1)CC(F)(F)F	REAL300012047706	0	48	0.0	-70.55	389.54	8.86	-61.69
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047707	0	51	0.0	-73.75	422.94	11.08	-62.67
CCCN1C=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047708	0	47	0.0	-62.84	388.33	9.28	-53.56
CC(C)N1C=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047709	0	47	0.0	-62.82	385.94	9.04	-53.78
CC(C)(C)C1=CN=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047710	0	52	0.0	-67.73	413.83	10.44	-57.29
O=C([O-])C(CCCC[NH2+]CC1=NN(CC(F)(F)F)C=C1)CC(F)(F)F	REAL300012047711	0	44	0.0	-67.11	384.71	9.02	-58.09
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)CC(F)(F)F	REAL300012047712	0	51	0.0	-65.39	415.20	11.98	-53.41
CN1C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=NC2=C1CCCC2	REAL300012047713	0	51	0.0	-68.54	405.15	10.62	-57.92
COC1=NC(Cl)=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047714	0	44	0.0	-69.14	385.07	7.13	-62.01
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012047715	0	44	0.0	-70.25	380.87	8.79	-61.46
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(C(F)F)=C1F)CC(F)(F)F	REAL300012047716	0	44	0.0	-69.57	381.46	10.90	-58.67
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1COCC2)CC(F)(F)F	REAL300012047717	0	49	0.0	-66.93	389.16	9.94	-56.99
CCOC1=CC=C(Cl)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047718	0	48	0.0	-63.00	409.59	10.77	-52.23
COC1=NN(C)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047719	0	45	0.0	-67.97	378.58	5.70	-62.27
O=C([O-])C(CCCC[NH2+]CC1=NC2=C(COCC2)S1)CC(F)(F)F	REAL300012047720	0	45	0.0	-67.09	382.29	7.30	-59.79
O=C([O-])C(CCCC[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)CC(F)(F)F	REAL300012047721	0	48	0.0	-71.39	405.26	9.89	-61.50
O=C([O-])C(CCCC[NH2+]CC1=CC2=C(CCCC2)O1)CC(F)(F)F	REAL300012047722	0	48	0.0	-64.52	387.15	10.79	-53.73
O=C([O-])C(CCCC[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1)CC(F)(F)F	REAL300012047723	0	43	0.0	-79.69	377.05	10.68	-69.01
O=C([O-])C(CCCC[NH2+]CC1=CN(C2CCCCC2)N=C1)CC(F)(F)F	REAL300012047724	0	54	0.0	-66.55	427.08	10.99	-55.56
CC1=COC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047725	0	40	0.0	-67.01	339.83	5.29	-61.72
CN(CCO)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300012047726	0	52	0.0	-68.88	422.44	7.53	-61.35
COC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012047727	0	57	0.0	-62.10	435.78	11.68	-50.42
CN1C=C(Br)N=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047728	0	41	0.0	-72.09	364.24	8.82	-63.27
COC1=CC(C)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300012047729	0	47	0.0	-69.56	385.47	7.20	-62.36
COC1=CC(C)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1O	REAL300012047730	0	49	0.0	-69.37	397.91	7.70	-61.67
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)CC(F)(F)F	REAL300012047731	0	47	0.0	-68.28	399.18	9.06	-59.22
CN1C(=O)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC2=CC=CC=C21	REAL300012047732	0	50	0.0	-65.66	409.35	10.73	-54.93
COC1=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1C	REAL300012047733	0	47	0.0	-65.05	389.73	7.34	-57.71
CCCN1C=NC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047734	0	47	0.0	-67.56	380.70	10.84	-56.72
O=C([O-])C(CCCC[NH2+]CC1=CC=CNC1=O)CC(F)(F)F	REAL300012047735	0	41	0.0	-64.73	346.49	6.88	-57.85
O=C([O-])C(CCCC[NH2+]CC=CC1=CC=C2OCOC2=C1)CC(F)(F)F	REAL300012047736	0	48	0.0	-73.77	399.98	9.91	-63.86
O=C([O-])C(CCCC[NH2+]CC1=CC=C(CC2CCC2)C=C1)CC(F)(F)F	REAL300012047737	0	54	0.0	-64.46	433.99	13.48	-50.98
CCC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=NN1CC	REAL300012047738	0	50	0.0	-64.88	401.79	9.86	-55.02
O=C([O-])C(CCCC[NH2+]CC1=C(F)C=CC(Cl)=C1F)CC(F)(F)F	REAL300012047739	0	41	0.0	-62.50	369.22	10.49	-52.01
O=C([O-])C(CCCC[NH2+]CC1=CC(C2CC2)=NN1)CC(F)(F)F	REAL300012047740	0	45	0.0	-71.18	374.48	8.43	-62.75
O=C([O-])C(CCCC[NH2+]CC1=CC=NN1C1CC1(F)F)CC(F)(F)F	REAL300012047741	0	45	0.0	-77.05	386.14	9.49	-67.56
COC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=CS1	REAL300012047742	0	42	0.0	-61.93	364.41	8.38	-53.55
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012047743	0	44	0.0	-62.99	382.21	9.75	-53.24
CC(F)(F)C1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047744	0	47	0.0	-68.53	396.08	11.48	-57.05
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CSC=C2)N=C1)CC(F)(F)F	REAL300012047745	0	47	0.0	-70.27	405.36	10.72	-59.55
CN1C=C(C2=NNC=C2C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300012047746	0	48	0.0	-70.72	402.99	7.66	-63.06
CCCN1N=C(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1Cl	REAL300012047747	0	50	0.0	-65.37	424.32	10.23	-55.14
CC(C)(C#N)C1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300012047748	0	47	0.0	-69.04	409.54	9.30	-59.74
O=C([O-])C(CCCC[NH2+]CC1=CC(F)=CC(F)=C1F)CC(F)(F)F	REAL300012047749	0	41	0.0	-67.45	359.64	10.13	-57.32
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CSC=C2)C=C1)CC(F)(F)F	REAL300012047750	0	48	0.0	-67.52	408.44	12.38	-55.14
CC(C)(C)C1=NNC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047751	0	50	0.0	-69.71	404.41	8.78	-60.93
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)CC(F)(F)F	REAL300012047752	0	47	0.0	-68.90	400.10	12.58	-56.32
C=CCC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047753	0	48	0.0	-64.69	390.00	11.83	-52.86
CCN1CCCC2=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C21	REAL300012047754	0	56	0.0	-64.36	431.44	10.96	-53.40
COCC1=CN=C(OC)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047755	0	51	0.0	-63.59	422.32	6.49	-57.10
CN1N=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1Br	REAL300012047756	0	41	0.0	-65.15	365.63	8.18	-56.97
O=C([O-])C(CCCC[NH2+]CC=CC1=CC=CC=C1)CC(F)(F)F	REAL300012047757	0	45	0.0	-67.38	373.91	11.26	-56.12
O=C([O-])C(CCCC[NH2+]CC1=CN=NN1C1CC1)CC(F)(F)F	REAL300012047758	0	44	0.0	-76.49	369.37	7.97	-68.52
COCC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047759	0	48	0.0	-66.26	388.86	9.79	-56.47
O=C([O-])C(CCCC[NH2+]CC1=CC=C2CCOCC2=C1)CC(F)(F)F	REAL300012047760	0	49	0.0	-67.44	396.58	10.05	-57.39
O=C([O-])C(CCCC[NH2+]CC1=CN(CCO)N=C1)CC(F)(F)F	REAL300012047761	0	45	0.0	-69.09	378.20	5.26	-63.83
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012047762	0	47	0.0	-67.46	403.42	12.09	-55.37
O=C([O-])C(CCCC[NH2+]CC1=CC(C2=CC=NC=C2)=NN1)CC(F)(F)F	REAL300012047763	0	47	0.0	-75.94	397.49	8.13	-67.81
COC1=CC=C(F)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1OC	REAL300012047764	0	49	0.0	-60.73	407.88	9.28	-51.45
O=C([O-])C(CCCC[NH2+]CC=CC1=CC=NC=C1)CC(F)(F)F	REAL300012047765	0	44	0.0	-71.87	368.93	9.49	-62.38
CN1C=CC(C2=NNC=C2C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047766	0	48	0.0	-65.35	403.18	8.02	-57.33
C=CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047767	0	45	0.0	-65.74	373.99	11.05	-54.69
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(OCC2CCC2)=C1)CC(F)(F)F	REAL300012047768	0	55	0.0	-66.18	442.46	12.31	-53.87
CC(F)(F)C1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047769	0	47	0.0	-64.80	383.39	11.49	-53.31
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1OCCO	REAL300012047770	0	53	0.0	-74.03	434.40	6.98	-67.05
CCN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2CC2)=N1	REAL300012047771	0	51	0.0	-68.32	419.56	10.77	-57.55
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OCCO	REAL300012047772	0	53	0.0	-73.67	434.40	6.98	-66.69
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012047773	0	51	0.0	-71.93	427.15	8.87	-63.06
CC(C)(C)C1=NOC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047774	0	49	0.0	-73.30	390.18	9.72	-63.58
O=C([O-])C(CCCC[NH2+]CC1=CC2=CN=CC=C2C=C1)CC(F)(F)F	REAL300012047775	0	46	0.0	-72.12	383.43	10.42	-61.70
CC1=CC2=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C2O1	REAL300012047776	0	47	0.0	-65.23	391.67	11.09	-54.14
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(F)=C1C(F)(F)F)CC(F)(F)F	REAL300012047777	0	44	0.0	-73.33	376.67	11.06	-62.27
COC1=CSC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1OC	REAL300012047778	0	46	0.0	-65.15	395.18	7.99	-57.16
O=C([O-])C(CCCC[NH2+]CC1=CON=C1C1CCC1)CC(F)(F)F	REAL300012047779	0	47	0.0	-71.38	387.13	10.02	-61.36
CS(=O)(=O)C1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])SC=C1	REAL300012047780	0	44	0.0	-68.37	384.48	6.58	-61.79
CS(=O)(=O)C1=COC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047781	0	44	0.0	-75.02	386.69	5.56	-69.46
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C(F)(F)F)C=C1F)CC(F)(F)F	REAL300012047782	0	44	0.0	-70.26	387.17	10.99	-59.27
CC(C)OC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1F	REAL300012047783	0	51	0.0	-72.80	418.39	10.88	-61.92
CCN1C=C(Cl)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047784	0	44	0.0	-62.30	383.85	9.03	-53.27
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C(Cl)=C1F)CC(F)(F)F	REAL300012047785	0	41	0.0	-69.66	369.44	10.55	-59.11
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(C(F)F)=C1)CC(F)(F)F	REAL300012047786	0	44	0.0	-67.66	376.59	10.88	-56.78
CS(=O)(=O)C1=CSC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047788	0	44	0.0	-73.29	395.10	6.56	-66.73
O=C([O-])C(CCCC[NH2+]CC1=CSC(Cl)=C1)CC(F)(F)F	REAL300012047789	0	38	0.0	-67.82	349.45	9.50	-58.32
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=NN1C1CCC1	REAL300012047790	0	51	0.0	-66.23	410.14	10.43	-55.80
CC1=NN(C2CCCC2)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047791	0	54	0.0	-71.16	430.52	11.03	-60.13
O=C([O-])C(CCCC[NH2+]CC1=CC=NN1CC(F)F)CC(F)(F)F	REAL300012047792	0	44	0.0	-76.40	377.86	8.69	-67.71
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047793	0	51	0.0	-69.77	423.54	10.64	-59.13
O=C([O-])C(CCCC[NH2+]CC1=C(F)C=CN=C1Cl)CC(F)(F)F	REAL300012047794	0	40	0.0	-62.88	357.39	8.57	-54.31
O=C([O-])C(CCCC[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)CC(F)(F)F	REAL300012047795	0	48	0.0	-70.40	407.67	11.22	-59.18
CN(C)C1=CN=CC(F)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047796	0	48	0.0	-62.31	396.70	8.05	-54.26
COC1=NC(C)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1Cl	REAL300012047797	0	50	0.0	-72.13	417.29	8.19	-63.94
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047798	0	50	0.0	-70.20	417.34	10.27	-59.93
O=C([O-])C(CCCC[NH2+]CC1=NN(C2CCC2)C=C1)CC(F)(F)F	REAL300012047799	0	48	0.0	-62.74	388.53	9.52	-53.22
O=C([O-])C(CCCC[NH2+]CC1=NN(CC(F)F)C=C1)CC(F)(F)F	REAL300012047800	0	44	0.0	-66.55	380.27	8.83	-57.72
O=C([O-])C(CCCC[NH2+]CC1=NN(C2CC2(F)F)C=C1)CC(F)(F)F	REAL300012047801	0	45	0.0	-66.52	388.34	9.39	-57.13
CC1=NN(C2CCCCC2)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047802	0	57	0.0	-67.82	447.18	11.60	-56.22
O=C([O-])C(CCCC[NH2+]CC1=CN(C2CCOCC2)N=C1)CC(F)(F)F	REAL300012047803	0	52	0.0	-67.98	418.30	8.61	-59.37
CC1=NN(C2CCOCC2)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047804	0	55	0.0	-68.42	437.45	9.18	-59.24
CC1=CN(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047805	0	44	0.0	-68.77	364.00	8.91	-59.86
O=C([O-])C(CCCC[NH2+]CC1=NN(C2CCCC2)C=C1)CC(F)(F)F	REAL300012047806	0	51	0.0	-62.61	408.64	10.32	-52.29
NS(=O)(=O)C1=CSC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047807	0	43	0.0	-73.89	388.68	3.96	-69.93
O=C([O-])C(CCCC[NH2+]CC1=NC=C(Cl)C=C1Cl)CC(F)(F)F	REAL300012047808	0	40	0.0	-62.15	368.73	9.04	-53.11
CC1=NSC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047809	0	40	0.0	-70.25	343.74	8.18	-62.07
CC1=NN(C2CCCC2)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047810	0	54	0.0	-67.95	428.21	11.00	-56.95
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1C(F)F)CC(F)(F)F	REAL300012047811	0	44	0.0	-68.73	365.87	10.92	-57.81
O=C([O-])C(CCCC[NH2+]CC1=CC2=CNN=C2C=C1)CC(F)(F)F	REAL300012047812	0	44	0.0	-74.10	368.68	8.66	-65.44
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Cl)C(F)=C1F)CC(F)(F)F	REAL300012047813	0	41	0.0	-69.48	369.44	10.55	-58.93
CC1=C(F)C=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047814	0	44	0.0	-68.25	362.98	10.61	-57.64
CN1C=C(C2=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C2)C=N1	REAL300012047815	0	51	0.0	-70.34	422.99	11.25	-59.09
CC1=CC=C(Br)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047816	0	44	0.0	-65.86	379.00	11.20	-54.66
COC1=C(C#N)C=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047817	0	46	0.0	-73.34	392.18	9.76	-63.58
COC1=NC2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C2S1	REAL300012047818	0	47	0.0	-73.27	407.28	7.78	-65.49
O=C([O-])C(CCCC[NH2+]CC1=CC=NC(Br)=C1)CC(F)(F)F	REAL300012047819	0	40	0.0	-73.74	359.22	8.69	-65.05
CC1=NC(Cl)=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047821	0	43	0.0	-72.26	369.23	9.17	-63.09
CC(C)(C)COC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047822	0	57	0.0	-65.88	454.66	12.30	-53.58
COC1=CC(Cl)=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047823	0	45	0.0	-68.35	389.11	9.77	-58.58
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC(F)=C1F	REAL300012047824	0	45	0.0	-78.07	384.44	9.37	-68.70
COC1=CC(C)=NC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047825	0	47	0.0	-64.64	388.12	8.16	-56.48
CC(C)N1C=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047826	0	47	0.0	-62.04	386.37	10.53	-51.51
CN1N=CC=C1C1=NNC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047827	0	48	0.0	-71.77	404.99	7.54	-64.23
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2CC2)=NO1	REAL300012047828	0	47	0.0	-70.08	392.15	10.36	-59.72
COC(=O)C1=C(C)NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1C	REAL300012047829	0	51	0.0	-74.01	426.11	9.63	-64.38
CC(C)OC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300012047830	0	48	0.0	-66.44	398.34	10.17	-56.27
O=C([O-])C(CCCC[NH2+]CC1=C(Cl)C=CC2=C1OCO2)CC(F)(F)F	REAL300012047831	0	44	0.0	-61.80	382.51	9.01	-52.79
N#CC1=CC(F)=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047832	0	42	0.0	-77.07	370.14	10.41	-66.66
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2CCCCC2)C=C1)CC(F)(F)F	REAL300012047833	0	57	0.0	-64.25	444.28	13.75	-50.50
COC1=CC=CC=C1C=CC[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047834	0	49	0.0	-67.93	402.28	10.61	-57.32
CC1=NN(C2CCC2)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047835	0	51	0.0	-67.99	410.17	10.32	-57.67
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=NN1CC(F)F	REAL300012047836	0	47	0.0	-71.02	396.98	9.36	-61.66
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)CC(F)(F)F	REAL300012047837	0	49	0.0	-72.46	411.61	10.28	-62.18
CCCN1N=C(C)C(Cl)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047838	0	50	0.0	-66.06	420.15	10.26	-55.80
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047839	0	48	0.0	-74.99	405.73	9.19	-65.80
O=C([O-])C(CCCC[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)CC(F)(F)F	REAL300012047840	0	54	0.0	-65.89	445.22	14.40	-51.49
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012047841	0	47	0.0	-70.28	384.98	7.24	-63.04
CCN(C)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012047842	0	55	0.0	-63.34	430.95	11.94	-51.40
O=C([O-])C(CCCC[NH2+]CC1=C(Cl)C(Cl)=CS1)CC(F)(F)F	REAL300012047843	0	38	0.0	-66.07	364.32	9.99	-56.08
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=NS1	REAL300012047844	0	40	0.0	-69.12	345.17	8.37	-60.75
COC1=CC(C)=CC(OC)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047845	0	52	0.0	-57.89	420.14	9.32	-48.57
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=NO1	REAL300012047846	0	40	0.0	-69.86	339.12	8.21	-61.65
O=C([O-])C(CCCC[NH2+]CC1=CC=C(CF)C=C1)CC(F)(F)F	REAL300012047847	0	44	0.0	-67.32	370.40	10.76	-56.56
O=C([O-])C(CCCC[NH2+]CC1=CC=C2SC=CC2=C1)CC(F)(F)F	REAL300012047848	0	44	0.0	-69.04	379.35	11.32	-57.72
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)CC(F)(F)F	REAL300012047849	0	50	0.0	-70.57	411.84	11.61	-58.96
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1CO)CC(F)(F)F	REAL300012047850	0	45	0.0	-67.91	367.05	7.40	-60.51
CC1=NSC(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047851	0	43	0.0	-69.92	365.43	8.80	-61.12
CC(C)(C)C1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=NO1	REAL300012047852	0	49	0.0	-66.07	384.64	10.08	-55.99
CC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1C(F)(F)F	REAL300012047853	0	47	0.0	-67.48	387.27	11.56	-55.92
C=CCN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300012047854	0	45	0.0	-69.00	380.01	9.19	-59.81
O=C([O-])C(CCCC[NH2+]CC1=CC2=NNC=C2C=C1)CC(F)(F)F	REAL300012047855	0	44	0.0	-70.67	368.67	8.66	-62.01
CCC(C)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012047856	0	53	0.0	-64.61	421.54	12.55	-52.06
O=C([O-])C(CCCC[NH2+]CC1=CC2=C(CCOC2)N=C1Cl)CC(F)(F)F	REAL300012047857	0	48	0.0	-66.66	403.35	8.60	-58.06
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047858	0	54	0.0	-66.73	441.92	12.47	-54.26
CC(F)(F)C1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300012047859	0	46	0.0	-68.15	391.53	9.90	-58.25
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1CCCC2)CC(F)(F)F	REAL300012047860	0	51	0.0	-64.32	397.82	12.30	-52.02
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047861	0	48	0.0	-69.70	402.92	11.84	-57.86
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(C(F)(F)F)=C1F)CC(F)(F)F	REAL300012047862	0	44	0.0	-71.14	385.90	10.97	-60.17
O=C([O-])C(CCCC[NH2+]CC1=CC=C(N2C=CN=N2)C=C1)CC(F)(F)F	REAL300012047863	0	47	0.0	-79.38	395.24	9.87	-69.51
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=CC2=CC=CC=C12	REAL300012047864	0	50	0.0	-66.08	399.40	12.69	-53.39
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047865	0	59	0.0	-67.52	468.05	11.61	-55.91
COC1=C2C=CNC2=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047866	0	49	0.0	-64.85	403.81	9.38	-55.47
CC1=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C(C)S1	REAL300012047867	0	43	0.0	-64.19	368.34	8.37	-55.82
O=C([O-])C(CCCC[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)CC(F)(F)F	REAL300012047868	0	54	0.0	-67.39	430.47	6.97	-60.42
COC1=CC=C(OC)C(OC)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047869	0	53	0.0	-60.61	430.66	8.58	-52.03
CCCN1N=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1C	REAL300012047870	0	50	0.0	-66.47	407.10	9.80	-56.67
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012047871	0	49	0.0	-62.16	398.31	11.03	-51.13
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012047872	0	50	0.0	-74.89	415.00	11.30	-63.59
COC(=O)C1=CN(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012047873	0	48	0.0	-75.53	404.35	10.07	-65.46
CCCN1N=C(C)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300012047874	0	50	0.0	-71.02	408.83	9.77	-61.25
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2CCC2)=N1	REAL300012047875	0	51	0.0	-68.82	414.03	10.36	-58.46
CC(C)(C)C1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300012047876	0	49	0.0	-67.27	401.62	7.44	-59.83
CC1=CC=C(N2C=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C(C(C)(C)C)=N2)C=C1	REAL300012047877	0	56	0.0	-64.29	426.55	12.75	-51.54
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OCC1=CC=CC=C1	REAL300012047878	0	52	0.0	-72.73	419.20	11.66	-61.07
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012047879	0	44	0.0	-64.80	378.85	10.54	-54.26
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3=CC=CC=C3)N=C1C1=CC=CC=C1)C2	REAL300012047880	0	51	0.0	-64.01	414.24	13.05	-50.96
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)O1)C2	REAL300012047881	0	31	0.0	-65.48	281.53	7.34	-58.14
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OCC1=CC=C(F)C=C1	REAL300012047882	0	52	0.0	-73.24	425.61	11.73	-61.51
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=C2)C=C1	REAL300012047883	0	52	0.0	-74.83	420.60	9.80	-65.03
O=C([O-])C1CC12CC([NH2+]CC1=CC(NC(=O)C3=CC=CC=C3Cl)=CC=C1)C2	REAL300012047884	0	48	0.0	-77.27	403.29	10.99	-66.28
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012047885	0	44	0.0	-67.27	358.32	10.21	-57.06
N#CCCN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300012047886	0	48	0.0	-68.80	400.69	10.99	-57.81
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OC(F)F	REAL300012047887	0	42	0.0	-69.16	347.63	7.96	-61.20
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3=CC=CC=C3)N=C1C1=CC=CN=C1)C2	REAL300012047888	0	50	0.0	-67.16	409.13	11.26	-55.90
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=C(Br)C=C3)O1)C2	REAL300012047889	0	41	0.0	-66.07	360.62	11.00	-55.07
CCOC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC(Br)=C1OC	REAL300012047890	0	45	0.0	-73.87	383.64	9.36	-64.51
CCOC1=C(Br)C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012047891	0	45	0.0	-73.71	383.63	9.39	-64.32
C=CCOC1=C(Br)C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012047892	0	46	0.0	-74.04	396.54	9.97	-64.07
CCCOC1=C(Br)C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012047893	0	48	0.0	-73.65	405.14	10.19	-63.46
CCCOC1=CC=C(Br)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012047894	0	44	0.0	-58.61	369.85	10.14	-48.47
CCOC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OC	REAL300012047895	0	45	0.0	-71.22	359.29	8.61	-62.61
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1)C2	REAL300012047896	0	48	0.0	-59.07	389.00	11.83	-47.24
CCCCCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012047897	0	50	0.0	-66.57	395.33	11.08	-55.49
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O1)C2	REAL300012047898	0	43	0.0	-68.58	365.51	11.00	-57.58
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O1)C2	REAL300012047899	0	43	0.0	-69.30	365.50	10.99	-58.31
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1Br	REAL300012047900	0	38	0.0	-70.51	328.61	8.45	-62.06
CCCCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012047901	0	51	0.0	-67.92	402.72	10.19	-57.73
CCCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012047902	0	48	0.0	-67.99	381.23	9.40	-58.59
C=CCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012047903	0	46	0.0	-68.57	372.63	9.19	-59.38
CCCCCCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012047904	0	57	0.0	-67.67	445.72	11.75	-55.92
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=C(Cl)C=C3)O1)C2	REAL300012047905	0	41	0.0	-65.96	356.06	10.88	-55.08
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC=C3Cl)O1)C2	REAL300012047906	0	41	0.0	-65.99	356.22	10.93	-55.06
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC(Br)=C3)O1)C2	REAL300012047907	0	41	0.0	-62.74	358.61	10.94	-51.80
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=C(Cl)C=C3)S1)C2	REAL300012047908	0	41	0.0	-65.11	363.65	11.79	-53.32
O=C([O-])C1CC12CC([NH2+]CC1=CN(CC3=CC=CC=C3)N=C1)C2	REAL300012047909	0	44	0.0	-69.90	362.93	10.16	-59.74
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC(OC)=C1OCC1=CC=CC=C1	REAL300012047910	0	56	0.0	-71.75	452.79	11.59	-60.16
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC=C3[N+](=O)[O-])O1)C2	REAL300012047911	0	43	0.0	-68.29	361.40	11.61	-56.68
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012047912	0	53	0.0	-68.57	421.23	9.58	-58.99
O=C([O-])C1CC12CC([NH2+]CC1=CSC(C3=CC=C(F)C=C3)=N1)C2	REAL300012047913	0	40	0.0	-64.74	350.34	9.33	-55.41
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OC(F)(F)F)C2	REAL300012047914	0	38	0.0	-60.24	323.72	8.33	-51.91
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(SC(F)(F)F)C=C1)C2	REAL300012047915	0	38	0.0	-69.31	335.87	9.95	-59.36
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C([N+](=O)[O-])C=C1O	REAL300012047916	0	41	0.0	-64.95	339.06	6.18	-58.77
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC(F)(F)F)C=C1)C2	REAL300012047917	0	38	0.0	-69.43	325.47	8.28	-61.15
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S1)C2	REAL300012047918	0	43	0.0	-71.61	375.11	11.93	-59.68
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC=C3[N+](=O)[O-])S1)C2	REAL300012047919	0	43	0.0	-67.72	371.95	11.84	-55.88
O=C([O-])C1CC12CC([NH2+]CC1=CNN=C1C1=CC=C(F)C=C1)C2	REAL300012047920	0	41	0.0	-66.05	341.85	8.41	-57.64
CC1=CC=C(C2=NNC=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012047921	0	44	0.0	-63.08	356.87	9.01	-54.07
O=C([O-])C1CC12CC([NH2+]CC1=CNN=C1C1=CC=CS1)C2	REAL300012047922	0	38	0.0	-60.87	322.83	7.62	-53.25
COC1=CC=C(C2=NNC=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012047923	0	45	0.0	-64.30	364.94	7.63	-56.67
CCOC1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C)=NN1CC(C)C	REAL300012047924	0	53	0.0	-62.61	415.43	9.04	-53.57
CC1=CC=C(C2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)O2)C=C1	REAL300012047925	0	44	0.0	-61.69	358.72	11.00	-50.69
CC1=CC=C(C2=NNC=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)O1	REAL300012047926	0	41	0.0	-62.15	340.16	7.59	-54.56
O=C([O-])C1CC12CC([NH2+]CC1=CNN=C1C1=CC=C3OCCOC3=C1)C2	REAL300012047927	0	47	0.0	-67.12	379.95	7.48	-59.64
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OCC3CCCO3)C=C1)C2	REAL300012047928	0	49	0.0	-69.46	387.80	9.10	-60.36
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=C(F)C=C3)S1)C2	REAL300012047929	0	41	0.0	-65.67	353.33	11.33	-54.34
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1)C2	REAL300012047930	0	47	0.0	-61.49	381.76	10.12	-51.37
COC1=NC2=CC=CC=C2C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012047931	0	43	0.0	-65.46	349.95	7.48	-57.98
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=C(Br)C=C3)S1)C2	REAL300012047932	0	41	0.0	-65.24	368.22	11.89	-53.35
CC(C)N1N=CC2=CC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=C(Cl)N=C21	REAL300012047933	0	45	0.0	-68.56	377.91	9.58	-58.98
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC=C3Cl)S1)C2	REAL300012047934	0	41	0.0	-63.22	363.84	11.79	-51.43
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OCC1=CC=NC=C1	REAL300012047935	0	51	0.0	-74.62	414.08	9.89	-64.73
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC=C3F)S1)C2	REAL300012047936	0	41	0.0	-63.86	356.29	11.44	-52.42
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC=C3Br)S1)C2	REAL300012047937	0	41	0.0	-63.30	367.43	11.84	-51.46
O=C([O-])C1CC12CC([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C2	REAL300012047938	0	37	0.0	-61.89	329.67	9.94	-51.95
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C2	REAL300012047939	0	37	0.0	-76.21	323.01	9.54	-66.67
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC=C1Cl)C2	REAL300012047940	0	34	0.0	-58.91	306.49	9.39	-49.52
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(F)C=C1C(F)(F)F)C2	REAL300012047941	0	37	0.0	-69.98	311.94	9.55	-60.43
O=C([O-])C1CC12CC([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C2	REAL300012047942	0	37	0.0	-73.40	323.83	9.55	-63.85
O=C([O-])C1CC12CC([NH2+]CC1=CC(C(F)(F)F)=CC=C1F)C2	REAL300012047943	0	37	0.0	-63.92	322.34	9.52	-54.40
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(Cl)=C1OC	REAL300012047944	0	42	0.0	-63.31	353.78	8.26	-55.05
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012047945	0	50	0.0	-63.72	414.44	11.77	-51.95
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC(Br)=C3)S1)C2	REAL300012047946	0	41	0.0	-65.43	368.23	11.87	-53.56
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC=C1OC(F)F)C2	REAL300012047947	0	38	0.0	-62.20	331.69	8.58	-53.62
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC(Cl)=C3)S1)C2	REAL300012047948	0	41	0.0	-65.47	363.66	11.77	-53.70
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=C2)=C1	REAL300012047949	0	49	0.0	-68.59	411.25	12.15	-56.44
O=C([O-])C1CC12CC([NH2+]CC1=CNN=C1C1=CC=C3OCOC3=C1)C2	REAL300012047950	0	44	0.0	-67.94	361.51	6.99	-60.95
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OCC(F)(F)F	REAL300012047951	0	45	0.0	-71.89	379.30	9.07	-62.82
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OCC3=CC=NC=C3)C=C1)C2	REAL300012047952	0	47	0.0	-68.20	383.93	9.98	-58.22
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=C3OCCOC3=C1)C2	REAL300012047953	0	40	0.0	-71.49	343.54	8.31	-63.18
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=C3OCCCOC3=C1)C2	REAL300012047954	0	43	0.0	-68.84	362.44	9.08	-59.76
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(N3C=CC(C(F)(F)F)=N3)C=C1)C2	REAL300012047955	0	44	0.0	-76.03	378.52	10.66	-65.37
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012047956	0	43	0.0	-62.20	359.22	8.42	-53.78
COCCOC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012047957	0	45	0.0	-64.87	364.10	7.98	-56.89
O=C([O-])C1CC12CC([NH2+]CC1=CSC(C3=CC=CC=N3)=N1)C2	REAL300012047958	0	39	0.0	-66.72	339.34	7.41	-59.31
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012047959	0	46	0.0	-67.03	360.47	10.06	-56.97
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=N1	REAL300012047960	0	50	0.0	-75.30	396.80	8.42	-66.88
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C2	REAL300012047961	0	41	0.0	-68.55	349.62	9.18	-59.37
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC3=C1OCCCO3)C2	REAL300012047962	0	43	0.0	-64.30	338.90	8.50	-55.80
CCCN1C2=CC=CC=C2N=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012047963	0	46	0.0	-65.45	364.92	10.54	-54.91
O=C([O-])C1CC12CC([NH2+]CC1=CC(C3=CC=CC=C3)=CS1)C2	REAL300012047964	0	41	0.0	-64.08	345.13	11.06	-53.02
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OC3CCCC3)=C1)C2	REAL300012047965	0	48	0.0	-65.35	372.78	10.69	-54.66
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012047966	0	47	0.0	-62.31	387.93	10.50	-51.81
CC1=CC=C(C2=NC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CS2)C=C1	REAL300012047967	0	43	0.0	-59.35	363.32	9.90	-49.45
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OCC3=CC=CC=C3F)=C1)C2	REAL300012047968	0	48	0.0	-65.15	394.11	11.93	-53.22
O=C([O-])C1CC12CC([NH2+]CC1=CSC(COC3=CC=CC=C3)=N1)C2	REAL300012047969	0	44	0.0	-64.64	375.52	8.79	-55.85
O=C([O-])C1CC12CC([NH2+]CC1=CSC(C3=CC=C(C(F)(F)F)C=C3)=N1)C2	REAL300012047970	0	43	0.0	-61.82	380.61	10.23	-51.59
O=C([O-])C1CC12CC([NH2+]CC1=CSC(COC3=CC=C(Cl)C=C3)=N1)C2	REAL300012047971	0	44	0.0	-65.13	392.25	9.31	-55.82
CC1=CC=C(OCC2=NC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CS2)C=C1	REAL300012047972	0	47	0.0	-64.55	396.92	9.45	-55.10
COC1=CC=C(OCC2=NC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CS2)C=C1	REAL300012047973	0	48	0.0	-65.96	405.01	8.08	-57.88
O=C([O-])C1CC12CC([NH2+]CC1=CSC(C3=CSC=C3)=N1)C2	REAL300012047974	0	37	0.0	-63.20	334.96	8.20	-55.00
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC(F)=C3)S1)C2	REAL300012047975	0	41	0.0	-66.38	353.34	11.32	-55.06
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012047976	0	48	0.0	-63.17	385.92	9.34	-53.83
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OC1CCCC1)C2	REAL300012047977	0	48	0.0	-58.07	372.79	10.75	-47.32
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012047978	0	51	0.0	-62.94	411.22	9.39	-53.55
CC1=CC=C(C2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)S2)C=C1	REAL300012047979	0	44	0.0	-64.07	368.33	11.93	-52.14
COC1=CC(OC2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2)=CC(OC)=C1	REAL300012047980	0	53	0.0	-72.99	426.66	9.97	-63.02
O=C([O-])C1CC12CC([NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F)C2	REAL300012047981	0	40	0.0	-68.78	343.17	8.73	-60.05
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012047982	0	38	0.0	-61.63	341.33	8.93	-52.70
CCOCCOC1=CC=C(Br)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012047983	0	48	0.0	-60.19	403.83	9.56	-50.63
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=CC=C1Cl)C2	REAL300012047984	0	34	0.0	-58.86	311.06	9.49	-49.37
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC=C1Br)C2	REAL300012047985	0	34	0.0	-58.22	310.08	9.49	-48.73
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC3=CC(F)=CC(F)=C3)C=C1)C2	REAL300012047986	0	45	0.0	-70.54	380.51	11.49	-59.05
CCOC1=C(OC)C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012047987	0	49	0.0	-70.83	392.88	8.55	-62.28
COCCCOC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012047988	0	48	0.0	-67.35	385.22	8.59	-58.76
COC1=CC=C(OC(F)F)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012047989	0	42	0.0	-61.57	344.43	7.34	-54.23
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(Br)=C1OC(F)F)C2	REAL300012047990	0	38	0.0	-64.08	334.26	8.75	-55.33
O=C([O-])C1CC12CC([NH2+]CC1=C(Cl)C=CC=C1OC(F)F)C2	REAL300012047991	0	38	0.0	-58.39	331.09	8.52	-49.87
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OCCCC3=CC=CC=C3)=C1)C2	REAL300012047992	0	54	0.0	-64.41	433.38	13.32	-51.09
CC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OC1=CC=CN=C1	REAL300012047993	0	47	0.0	-70.34	383.99	10.36	-59.98
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1)C2	REAL300012047994	0	52	0.0	-62.82	420.77	9.75	-53.07
CC1=CC=C(C2=NC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)S2)C=C1	REAL300012047995	0	43	0.0	-63.03	363.49	10.13	-52.90
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC3=CC=CN=C31)C2	REAL300012047996	0	39	0.0	-59.14	335.60	9.50	-49.64
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(F)C3=CC=CN=C13)C2	REAL300012047997	0	39	0.0	-61.09	324.52	9.05	-52.04
O=C([O-])C1CC12CC([NH2+]CC1=CC(F)=CC3=CC=CN=C31)C2	REAL300012047998	0	39	0.0	-59.98	325.31	9.07	-50.91
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Cl)C3=CC=CN=C13)C2	REAL300012047999	0	39	0.0	-60.50	333.37	9.42	-51.08
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=C(F)C=CC=C3F)O1)C2	REAL300012048000	0	41	0.0	-66.43	353.81	10.54	-55.89
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)O1	REAL300012048001	0	44	0.0	-66.21	366.28	11.12	-55.09
CCC1=CC=C(C2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)O2)C=C1	REAL300012048002	0	47	0.0	-64.76	382.21	11.80	-52.96
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(OC(F)F)=C1	REAL300012048003	0	42	0.0	-65.28	346.45	7.40	-57.88
COC1=CC=C2OC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CC2=C1	REAL300012048004	0	41	0.0	-67.44	336.44	8.28	-59.16
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC3=CC=CC=C3)O1)C2	REAL300012048005	0	42	0.0	-67.36	345.85	10.24	-57.12
CC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1Br	REAL300012048006	0	37	0.0	-65.10	318.62	9.67	-55.43
CC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1Br	REAL300012048007	0	37	0.0	-68.91	318.18	9.68	-59.23
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC3=C1OCC3)C2	REAL300012048008	0	39	0.0	-60.24	331.58	8.82	-51.42
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)O2)C=C1	REAL300012048009	0	53	0.0	-64.55	415.44	12.68	-51.87
CC1=CC=C(C)C(OC2=CC=CC(Cl)=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1C	REAL300012048010	0	54	0.0	-57.41	438.87	13.75	-43.66
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048011	0	54	0.0	-55.93	405.61	11.77	-44.16
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048012	0	54	0.0	-60.42	421.52	11.59	-48.83
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2C)=C1	REAL300012048013	0	57	0.0	-65.78	455.89	14.06	-51.72
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1C	REAL300012048014	0	57	0.0	-65.57	448.32	13.97	-51.60
CC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300012048015	0	54	0.0	-65.52	445.30	13.87	-51.65
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048016	0	52	0.0	-68.30	413.81	13.27	-55.03
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048017	0	50	0.0	-68.01	413.68	11.44	-56.57
CCN(CC)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1F	REAL300012048018	0	48	0.0	-70.16	379.16	9.65	-60.51
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C(SC)C=C1OC	REAL300012048019	0	46	0.0	-61.77	373.44	8.61	-53.16
COC1=CC=C2N=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)SC2=C1	REAL300012048020	0	40	0.0	-54.20	338.25	7.25	-46.95
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048021	0	40	0.0	-66.10	342.22	9.34	-56.76
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(SC(F)F)C=C1)C2	REAL300012048022	0	38	0.0	-65.41	327.60	9.72	-55.69
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C2	REAL300012048023	0	38	0.0	-73.65	324.17	8.14	-65.51
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048024	0	40	0.0	-66.43	332.67	10.09	-56.34
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300012048025	0	42	0.0	-74.03	357.40	8.33	-65.70
CCOC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OC(C)C(=O)N(C)C	REAL300012048026	0	58	0.0	-83.03	452.70	10.41	-72.62
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=CC=C1OC(F)F)C2	REAL300012048027	0	38	0.0	-62.09	336.25	8.68	-53.41
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048028	0	50	0.0	-62.43	419.40	11.64	-50.79
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OCC(C)C	REAL300012048029	0	51	0.0	-70.68	400.89	10.09	-60.59
CCCOC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OC	REAL300012048030	0	48	0.0	-70.95	380.79	9.41	-61.54
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)S1)C2	REAL300012048031	0	31	0.0	-64.87	290.98	8.31	-56.56
CCOC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300012048032	0	45	0.0	-74.11	379.25	9.25	-64.86
COC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1OC(C)C	REAL300012048033	0	48	0.0	-59.18	377.55	9.46	-49.72
CCOC1=C(Cl)C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012048034	0	45	0.0	-73.91	379.25	9.28	-64.63
CCCOC1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=CC=C1OCC	REAL300012048035	0	51	0.0	-58.80	403.98	10.49	-48.31
CCCCOC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OC	REAL300012048036	0	51	0.0	-67.87	402.72	10.19	-57.68
CCCOC1=C(Cl)C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OCC	REAL300012048037	0	51	0.0	-73.89	422.61	11.00	-62.89
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048038	0	50	0.0	-62.43	414.15	12.09	-50.34
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC(F)F	REAL300012048039	0	42	0.0	-67.62	347.63	7.97	-59.65
CCOC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OC(F)F	REAL300012048040	0	45	0.0	-72.69	369.05	8.89	-63.80
CC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC(C)=C1OC(F)F	REAL300012048041	0	44	0.0	-66.94	357.66	9.54	-57.40
O=C([O-])C1CC12CC([NH2+]CC1=CSC(C3=CC=CC(Br)=C3)=N1)C2	REAL300012048042	0	40	0.0	-64.72	365.23	9.89	-54.83
CCOC1=CC2=C(C=C1C[NH2+]C1CC3(CC3C(=O)[O-])C1)OC(C)C2	REAL300012048043	0	49	0.0	-60.30	386.11	9.37	-50.93
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC2=C1OCCO2	REAL300012048044	0	44	0.0	-69.30	352.81	7.51	-61.79
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=NC4=CC=CC=C4S3)O1)C2	REAL300012048045	0	43	0.0	-71.17	373.57	9.90	-61.27
CCCCN1N=C(C)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1Cl	REAL300012048046	0	46	0.0	-64.44	381.64	9.54	-54.90
CCOC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1OC(F)F	REAL300012048047	0	45	0.0	-62.19	368.05	9.05	-53.14
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1)C2	REAL300012048048	0	52	0.0	-62.84	413.32	10.65	-52.19
O=C([O-])C1CC12CC([NH2+]CC1=CN(CC3=CC=CC=C3)N=C1C1=CC=CC=C1)C2	REAL300012048049	0	54	0.0	-64.54	439.68	13.51	-51.03
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC=C3)S1)C2	REAL300012048050	0	41	0.0	-64.05	346.93	11.26	-52.79
CCCOC1=C(Cl)C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012048051	0	48	0.0	-73.83	400.75	10.08	-63.75
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048052	0	56	0.0	-63.81	430.57	12.54	-51.27
CC(C)(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048053	0	53	0.0	-60.41	422.49	12.18	-48.23
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048054	0	53	0.0	-61.69	439.94	12.26	-49.43
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC(F)=C3F)O1)C2	REAL300012048055	0	41	0.0	-66.45	352.02	10.50	-55.95
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048056	0	57	0.0	-63.03	447.80	10.95	-52.08
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2CCCCC2)=N1	REAL300012048057	0	50	0.0	-65.45	385.92	10.02	-55.43
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048058	0	53	0.0	-66.01	417.03	12.79	-53.22
CC1(C)CCC2=C(C1)SC(C[NH2+]C1CC3(CC3C(=O)[O-])C1)=N2	REAL300012048059	0	46	0.0	-60.11	363.32	9.15	-50.96
O=C([O-])C1CC12CC([NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1)C2	REAL300012048060	0	41	0.0	-65.29	352.16	8.86	-56.43
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OCC1=C(C)ON=C1C	REAL300012048061	0	54	0.0	-76.52	436.48	10.44	-66.08
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC=C3F)O1)C2	REAL300012048062	0	41	0.0	-67.18	347.75	10.49	-56.69
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=C3OCCOC3=C1)C2	REAL300012048063	0	40	0.0	-71.75	339.16	8.19	-63.56
CCCCC1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300012048064	0	49	0.0	-62.44	387.23	11.99	-50.45
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(N3C=NC4=CC=CC=C43)C=C1)C2	REAL300012048065	0	47	0.0	-76.86	385.87	13.17	-63.69
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OCC1=CC=CS1	REAL300012048066	0	49	0.0	-72.59	409.43	10.74	-61.85
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048067	0	47	0.0	-66.67	381.85	10.65	-56.02
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=C3OCCCOC3=C1)C2	REAL300012048068	0	43	0.0	-69.04	358.04	8.97	-60.07
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OCC3=CC=CC=C3Cl)=C1)C2	REAL300012048069	0	48	0.0	-64.55	403.55	12.35	-52.20
O=C([O-])C1CC12CC([NH2+]CC1CCC(C(F)(F)F)CC1)C2	REAL300012048070	0	43	0.0	-67.48	338.87	9.77	-57.71
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C2	REAL300012048071	0	41	0.0	-76.67	355.84	9.26	-67.41
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3=CC=C(F)C=C3Cl)N=N1)C2	REAL300012048072	0	40	0.0	-73.06	355.53	9.06	-64.00
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3=CC=C(F)C(Cl)=C3)N=N1)C2	REAL300012048073	0	40	0.0	-70.36	354.57	8.88	-61.48
CC1=CC(Br)=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1OC(F)F	REAL300012048074	0	41	0.0	-61.92	355.37	9.44	-52.48
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=C(Cl)S1)C2	REAL300012048075	0	31	0.0	-66.09	306.81	8.79	-57.30
CC1=CC=C(SC2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2[N+](=O)[O-])C=C1	REAL300012048076	0	50	0.0	-80.56	422.99	13.67	-66.89
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300012048077	0	51	0.0	-79.24	414.63	13.44	-65.80
COC1=CC=C(C2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)O2)C([N+](=O)[O-])=C1	REAL300012048078	0	47	0.0	-73.97	392.92	10.95	-63.02
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=C(Cl)C(Cl)=C3)O1)C2	REAL300012048079	0	41	0.0	-64.06	369.20	11.29	-52.77
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC3=CC=C(F)C=C3)C([N+](=O)[O-])=C1)C2	REAL300012048080	0	47	0.0	-85.78	399.80	12.71	-73.07
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048081	0	47	0.0	-62.47	397.94	10.97	-51.50
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048082	0	47	0.0	-62.69	413.21	11.46	-51.23
O=C([O-])C1CC12CC([NH2+]CC1=CN(CC3=CC=CC=C3)N=C1C1=CC=CS1)C2	REAL300012048083	0	51	0.0	-61.68	427.20	12.80	-48.88
O=C([O-])C1CC12CC([NH2+]CC1=CN(CC3=CC=CC=C3)N=C1C1=CC=CN=C1)C2	REAL300012048084	0	53	0.0	-67.98	434.57	11.72	-56.26
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048085	0	44	0.0	-63.09	389.25	10.98	-52.11
CC1=NN(CC2=CC=C(Cl)C=C2)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048086	0	47	0.0	-63.49	414.72	11.49	-52.00
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OC(C)C	REAL300012048087	0	48	0.0	-70.93	377.21	9.23	-61.70
CCCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OCC	REAL300012048088	0	51	0.0	-70.94	402.64	10.33	-60.61
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048089	0	47	0.0	-64.13	404.40	11.04	-53.09
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C(Br)=C1)C2	REAL300012048090	0	34	0.0	-72.08	318.95	9.65	-62.43
CCCCCCCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048091	0	56	0.0	-66.47	438.32	12.64	-53.83
CC(C[NH2+]C1CC2(CC2C(=O)[O-])C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012048092	0	55	0.0	-51.32	412.92	12.90	-38.42
O=C([O-])C1CC12CC([NH2+]CC1=C(Br)C=CS1)C2	REAL300012048093	0	31	0.0	-57.69	286.75	8.07	-49.62
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1N1CCOCC1)C2	REAL300012048094	0	47	0.0	-59.90	361.50	8.02	-51.88
O=C([O-])C1CC12CC([NH2+]CC1=CC(F)=CC=C1Br)C2	REAL300012048095	0	34	0.0	-58.85	299.75	9.04	-49.81
CC1=CC=C(C2=CC=CC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=C2)C=C1	REAL300012048096	0	47	0.0	-64.83	374.74	12.57	-52.26
COC1=CC=C(Br)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048097	0	38	0.0	-55.88	321.97	8.31	-47.57
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300012048098	0	40	0.0	-82.36	334.21	9.23	-73.13
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C2	REAL300012048099	0	34	0.0	-69.99	312.15	9.50	-60.49
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=CO1)C2	REAL300012048100	0	31	0.0	-55.01	279.06	7.20	-47.81
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048101	0	47	0.0	-66.70	374.76	12.57	-54.13
O=C([O-])C1CC12CC([NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C2	REAL300012048102	0	40	0.0	-75.01	356.49	10.49	-64.52
CCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OCC	REAL300012048103	0	48	0.0	-71.09	381.14	9.53	-61.56
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C2	REAL300012048104	0	37	0.0	-75.07	330.59	9.90	-65.17
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(F)C=C1Br)C2	REAL300012048105	0	34	0.0	-60.75	301.77	9.10	-51.65
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C2	REAL300012048106	0	38	0.0	-66.21	325.12	8.28	-57.93
COC1=CC=CC=C1C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048107	0	48	0.0	-66.10	388.69	11.60	-54.50
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC(C(F)(F)F)=C3)O1)C2	REAL300012048108	0	44	0.0	-63.70	376.36	11.34	-52.36
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C2=CC=CC=C12	REAL300012048109	0	44	0.0	-64.47	348.40	9.98	-54.49
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(Br)=C1O	REAL300012048110	0	39	0.0	-62.66	334.76	6.19	-56.47
O=C([O-])C1CC12CC([NH2+]CC1=CSC(Br)=C1)C2	REAL300012048111	0	31	0.0	-68.05	290.35	8.17	-59.88
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OCC1=CC=CN=C1	REAL300012048112	0	51	0.0	-75.56	414.04	9.88	-65.68
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=C(Cl)C(Cl)=C3)S1)C2	REAL300012048113	0	41	0.0	-66.93	378.81	12.23	-54.70
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1)C2	REAL300012048114	0	47	0.0	-63.30	400.57	10.56	-52.74
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C(C2=CC=CC=C2)C=C1OC	REAL300012048115	0	52	0.0	-62.07	410.21	11.07	-51.00
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(C3=CC=CC=C3)=C1)C2	REAL300012048116	0	44	0.0	-64.80	353.34	11.89	-52.91
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1)C2	REAL300012048117	0	47	0.0	-62.85	383.83	10.04	-52.81
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(N3CCCC3)N=C1)C2	REAL300012048118	0	45	0.0	-69.86	352.61	8.40	-61.46
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C(F)=C1)C2	REAL300012048119	0	34	0.0	-73.40	305.70	9.16	-64.24
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(C3=CC=CC=N3)=C1)C2	REAL300012048120	0	43	0.0	-63.78	350.78	10.37	-53.41
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(C3=CC=CN=C3)=C1)C2	REAL300012048121	0	43	0.0	-66.70	348.35	10.13	-56.57
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(C3=CC=NC=C3)=C1)C2	REAL300012048122	0	43	0.0	-68.15	348.54	10.14	-58.01
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048123	0	49	0.0	-64.81	373.12	9.03	-55.78
CN1CCN(C2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2)CC1	REAL300012048124	1	51	0.0	-64.20	389.69	7.24	-56.96
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC3=CN=CC=N3)C=C1)C2	REAL300012048125	0	43	0.0	-72.28	360.32	6.99	-65.29
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3=CC=C(F)C=C3)N=C1)C2	REAL300012048126	0	41	0.0	-69.44	344.36	9.77	-59.67
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048127	0	47	0.0	-66.21	392.17	11.10	-55.11
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3=CC=C(Cl)C=C3)N=C1)C2	REAL300012048128	0	41	0.0	-68.84	354.68	10.22	-58.62
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048129	0	47	0.0	-73.71	389.68	10.83	-62.88
O=C([O-])C1CC12CC([NH2+]CC1=C(Cl)N=C(SC3=CC=CC=C3)S1)C2	REAL300012048130	0	41	0.0	-62.30	382.93	10.41	-51.89
CC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC(C)=C1OCC1=CC=CC=N1	REAL300012048131	0	53	0.0	-67.26	424.96	11.58	-55.68
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C2	REAL300012048132	0	41	0.0	-70.09	350.40	9.18	-60.91
CCOC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OCC1=CC=CC=C1	REAL300012048133	0	55	0.0	-72.50	441.05	12.58	-59.92
COC1=C2OC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CC2=CC=C1	REAL300012048134	0	41	0.0	-64.25	334.45	8.25	-56.00
CC(C)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300012048135	0	45	0.0	-72.81	364.23	10.99	-61.82
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=C3OCOC3=C1)C2	REAL300012048136	0	37	0.0	-74.23	326.05	7.77	-66.46
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048137	0	50	0.0	-66.79	396.94	10.92	-55.87
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048138	0	50	0.0	-65.91	413.22	11.48	-54.43
CCOC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OCC(C)C	REAL300012048139	0	54	0.0	-70.55	422.75	11.01	-59.54
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=CC=C1F)C2	REAL300012048140	0	34	0.0	-60.59	303.93	9.07	-51.52
COC1=CC(Br)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012048141	0	42	0.0	-62.73	353.19	8.27	-54.46
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C=C1F)C2	REAL300012048142	0	34	0.0	-62.69	305.95	9.13	-53.56
COC1=CC2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2C=C1	REAL300012048143	0	44	0.0	-67.84	354.58	10.03	-57.81
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=CS1)C2	REAL300012048144	0	31	0.0	-63.23	290.78	8.21	-55.02
CCCCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OCC	REAL300012048145	0	54	0.0	-67.63	424.57	11.11	-56.52
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048146	0	47	0.0	-66.49	376.51	10.58	-55.91
COC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1OC(F)F	REAL300012048147	0	42	0.0	-63.48	345.92	8.15	-55.33
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(CSC(F)F)O1)C2	REAL300012048148	0	38	0.0	-66.29	339.61	9.06	-57.23
O=C([O-])C1CC12CC([NH2+]CC1=CC3=CC=CC=C3N=C1N1CCCCC1)C2	REAL300012048149	0	54	0.0	-62.80	417.39	11.73	-51.07
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(F)C(Br)=C1)C2	REAL300012048151	0	34	0.0	-73.19	305.70	9.15	-64.04
CC1=CC=C(COC2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2)C=C1	REAL300012048152	0	51	0.0	-65.75	410.45	12.41	-53.34
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(N3CCCCC3)C=C1)C2	REAL300012048153	0	49	0.0	-51.78	372.94	9.83	-41.95
CCCCCCOC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048154	0	53	0.0	-65.57	416.04	11.86	-53.71
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1SC	REAL300012048155	0	42	0.0	-68.19	348.04	8.83	-59.36
N#CCCCOC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048156	0	45	0.0	-72.57	372.40	10.04	-62.53
CCCCCOC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OC	REAL300012048157	0	54	0.0	-67.77	424.22	10.97	-56.80
CCC(C)OC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OC	REAL300012048158	0	51	0.0	-70.80	397.97	10.02	-60.78
CCCCCCCOC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048159	0	56	0.0	-65.51	437.54	12.64	-52.87
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OCCCC#N	REAL300012048160	0	49	0.0	-81.24	401.64	9.93	-71.31
C=C(C)COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OC	REAL300012048161	0	49	0.0	-71.85	391.61	9.97	-61.88
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OCCC(C)C	REAL300012048162	0	54	0.0	-70.99	419.85	10.71	-60.28
C=CCC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC(OC)=C1O	REAL300012048163	0	46	0.0	-67.61	373.99	7.64	-59.97
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048164	0	43	0.0	-65.82	355.27	9.38	-56.44
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048165	0	44	0.0	-63.27	376.54	7.00	-56.27
CCOC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OCC(F)(F)F	REAL300012048166	0	48	0.0	-74.83	400.72	9.99	-64.84
O=C([O-])C1CC12CC([NH2+]CC1=NC(C3=CC=CC=C3)=CS1)C2	REAL300012048167	0	40	0.0	-62.89	342.23	9.25	-53.64
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(N3CCOCC3)C(F)=C1)C2	REAL300012048168	0	47	0.0	-71.99	372.74	7.62	-64.37
C=CCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1Cl	REAL300012048169	0	42	0.0	-70.86	358.98	9.85	-61.01
O=C([O-])C1CC12CC([NH2+]CC1=CN=C(C3=CC=CC=C3)S1)C2	REAL300012048170	0	40	0.0	-65.16	344.11	9.51	-55.65
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C2OC(C)CC2=C1	REAL300012048171	0	46	0.0	-59.81	363.28	8.29	-51.52
CC1(C)CC2=CC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CC=C2O1	REAL300012048172	0	45	0.0	-66.14	356.54	9.74	-56.40
O=C([O-])C1CC12CC([NH2+]CC1=CSC(C3=CC=CS3)=N1)C2	REAL300012048173	0	37	0.0	-63.87	335.56	8.30	-55.57
CC1=CC=CC(C2=NNC=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048174	0	44	0.0	-62.49	356.76	8.99	-53.50
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)C2	REAL300012048175	0	37	0.0	-72.47	334.15	9.98	-62.49
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1)C2	REAL300012048176	0	37	0.0	-72.54	338.72	10.09	-62.45
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C=C1Cl)C2	REAL300012048177	0	34	0.0	-60.94	313.08	9.53	-51.41
CC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(Br)=C1	REAL300012048178	0	37	0.0	-57.33	316.78	9.70	-47.63
CC(C)COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048179	0	47	0.0	-66.37	372.43	10.21	-56.16
COCCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048180	0	45	0.0	-68.79	364.46	7.99	-60.80
CC(C)(C)N1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC=CC=C2Cl)=N1	REAL300012048181	0	53	0.0	-61.03	433.30	12.18	-48.85
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048182	0	49	0.0	-67.71	407.87	12.18	-55.53
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C2	REAL300012048183	0	38	0.0	-71.96	333.98	8.61	-63.35
O=C([O-])C1CC12CC([NH2+]CC1=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N1)C2	REAL300012048184	0	42	0.0	-69.45	372.13	9.94	-59.51
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1Cl	REAL300012048185	0	44	0.0	-58.80	373.38	9.95	-48.85
COC1=CC2=C(C=C1C[NH2+]C1CC3(CC3C(=O)[O-])C1)OCO2	REAL300012048186	0	41	0.0	-63.29	333.28	6.49	-56.80
CC(C)COC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048187	0	47	0.0	-62.72	372.08	10.21	-52.51
O=C([O-])C1CC12CC([NH2+]CC1=CN=CC(Br)=C1)C2	REAL300012048188	0	33	0.0	-71.07	294.86	7.31	-63.76
CC1(C)CC2=CC=CC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=C2O1	REAL300012048189	0	45	0.0	-57.97	356.31	9.69	-48.28
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=CC3=C1OCC3)C2	REAL300012048190	0	39	0.0	-60.20	336.14	8.94	-51.26
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300012048191	0	44	0.0	-62.17	358.31	9.62	-52.55
CC1=C(Br)SC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048192	0	34	0.0	-64.88	310.59	8.91	-55.97
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C3=CC=CN=C13)C2	REAL300012048193	0	39	0.0	-60.63	337.43	9.52	-51.11
COC1=CC=C(OC2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2)C=C1	REAL300012048194	0	49	0.0	-68.62	395.97	10.59	-58.03
O=C([O-])C1CC12CC([NH2+]CC1=NC=CC=C1C(F)(F)F)C2	REAL300012048195	0	36	0.0	-57.43	302.96	7.55	-49.88
CC1=CC(C2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2)=CC(C)=C1	REAL300012048196	0	50	0.0	-67.19	396.50	13.23	-53.96
CC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1N1C=NC=N1	REAL300012048197	0	43	0.0	-75.76	347.62	11.94	-63.82
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OCC(F)F)C=C1)C2	REAL300012048198	0	41	0.0	-71.69	343.84	9.03	-62.66
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048199	0	44	0.0	-68.06	374.22	10.81	-57.25
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OCC3=CC=C(F)C=C3)=C1)C2	REAL300012048200	0	48	0.0	-65.42	396.80	11.85	-53.57
CCCCOC1=CC=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048201	0	47	0.0	-57.87	372.07	10.35	-47.52
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(SC3=CC=CC=C3)C=C1)C2	REAL300012048202	0	45	0.0	-70.74	379.59	12.60	-58.14
CC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C(OC(F)F)C=C1C	REAL300012048203	0	44	0.0	-61.98	356.06	9.34	-52.64
COC1=CC(C)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012048204	0	45	0.0	-67.00	353.16	8.22	-58.78
O=C([O-])C1CC12CC([NH2+]CC1=NC(C3=CC(Cl)=CC=C3Cl)=CS1)C2	REAL300012048205	0	40	0.0	-62.48	371.11	10.68	-51.80
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048206	0	40	0.0	-70.01	342.30	9.33	-60.68
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048207	0	40	0.0	-58.97	338.89	6.60	-52.37
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048208	0	43	0.0	-77.76	362.73	7.95	-69.81
O=C([O-])C1CC12CC([NH2+]CC1=CNN=C1C1=CSC=C1)C2	REAL300012048209	0	38	0.0	-62.44	325.94	7.33	-55.11
CC(C)SC1=CC(Br)=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048210	0	44	0.0	-59.27	373.82	11.41	-47.86
CSC1=CC(Br)=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048211	0	38	0.0	-59.74	336.09	10.01	-49.73
O=C([O-])C1CC12CC([NH2+]CC1=CN(CC3=CC=C(F)C=C3)N=C1)C2	REAL300012048212	0	44	0.0	-70.73	369.78	10.22	-60.51
CC1CCC2=C(C1)SC(C[NH2+]C1CC3(CC3C(=O)[O-])C1)=N2	REAL300012048213	0	43	0.0	-60.30	348.43	8.84	-51.46
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC(F)F)C(Br)=C1)C2	REAL300012048214	0	38	0.0	-71.76	338.36	8.74	-63.02
O=C([O-])C1CC12CC([NH2+]CC1=CN(CC3=CC=C(C(F)(F)F)C=C3)N=C1)C2	REAL300012048215	0	47	0.0	-71.13	402.11	11.16	-59.97
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048216	0	48	0.0	-60.66	381.36	11.27	-49.39
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048217	0	48	0.0	-60.64	381.33	11.24	-49.40
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048218	0	47	0.0	-64.06	376.55	9.50	-54.56
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OCC3CC3)C=C1)C2	REAL300012048219	0	45	0.0	-64.53	360.81	10.27	-54.26
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl)C2	REAL300012048220	0	45	0.0	-57.55	390.41	12.01	-45.54
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C=C1N1CCOCC1)C2	REAL300012048221	0	47	0.0	-63.93	384.97	8.66	-55.27
COC1=CC(Cl)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1Cl	REAL300012048222	0	38	0.0	-61.78	337.28	8.78	-53.00
O=C([O-])C1CC12CC([NH2+]CC1=CN=C(C3=CC=CS3)S1)C2	REAL300012048223	0	37	0.0	-65.35	335.98	8.58	-56.77
O=C([O-])C1CC12CC([NH2+]CC1=CN=C(C3=CSC=C3)S1)C2	REAL300012048224	0	37	0.0	-62.94	333.23	8.40	-54.54
CC1=CC=C(C2=NC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)S2)O1	REAL300012048225	0	40	0.0	-67.16	348.80	8.41	-58.75
CC1=CC(Br)=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048226	0	37	0.0	-62.19	313.16	9.67	-52.52
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Cl)C(Br)=C1)C2	REAL300012048227	0	34	0.0	-72.00	314.82	9.56	-62.44
O=C([O-])C1CC12CC([NH2+]CC1=CNN=C1C1=CC=CC=C1F)C2	REAL300012048228	0	41	0.0	-64.18	341.92	8.42	-55.76
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=NC=C3)C=C1F)C2	REAL300012048229	0	43	0.0	-65.32	354.04	10.15	-55.17
O=C([O-])C1CC12CC([NH2+]CC1=NC=C(Br)C=C1Br)C2	REAL300012048230	0	33	0.0	-56.69	311.52	7.70	-48.99
O=C([O-])C1CC12CC([NH2+]CC1=C(Cl)OC3=CC=CC=C31)C2	REAL300012048231	0	37	0.0	-62.68	323.24	9.44	-53.24
COCCOC1=CC=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048232	0	45	0.0	-59.45	362.70	8.02	-51.43
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Cl)C=C1Br)C2	REAL300012048233	0	34	0.0	-60.12	312.10	9.54	-50.58
COC1=C(Br)C=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048234	0	38	0.0	-60.37	326.91	8.50	-51.87
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC=CS2)=N1	REAL300012048235	0	41	0.0	-60.55	345.77	8.93	-51.62
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1)C2	REAL300012048236	0	48	0.0	-60.01	389.02	11.25	-48.76
COC1=CC(Br)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(OC)=C1	REAL300012048237	0	42	0.0	-57.17	354.84	7.63	-49.54
O=C([O-])C1CC12CC([NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1)C2	REAL300012048238	0	45	0.0	-57.10	382.26	11.83	-45.27
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1)C2	REAL300012048239	0	49	0.0	-61.31	402.88	9.73	-51.58
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048240	0	44	0.0	-68.11	378.78	10.91	-57.20
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048241	0	53	0.0	-64.38	405.15	12.08	-52.30
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=C(F)C=C3)O1)C2	REAL300012048242	0	41	0.0	-63.32	343.72	10.39	-52.93
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(Br)=C1)C2	REAL300012048243	0	34	0.0	-67.63	299.98	9.11	-58.52
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3=CC=CC=C3)N=C1C1=CC=C(F)C=C1)C2	REAL300012048244	0	51	0.0	-66.89	420.85	13.12	-53.77
O=C([O-])C1CC12CC([NH2+]CC1=CN(CC3=CC=CC=C3Cl)N=C1)C2	REAL300012048245	0	44	0.0	-70.35	375.55	10.63	-59.72
CCN(CC)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048246	0	48	0.0	-62.80	374.60	10.80	-52.00
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C=C1)C2	REAL300012048247	0	34	0.0	-68.38	300.77	9.11	-59.27
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC(OC)=C1OC	REAL300012048248	0	46	0.0	-71.01	371.02	7.60	-63.41
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Cl)C=C1Cl)C2	REAL300012048249	0	34	0.0	-60.86	308.51	9.43	-51.43
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(N3CCOCC3)C=C1)C2	REAL300012048250	0	47	0.0	-64.02	361.78	7.29	-56.73
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(Cl)=C1Cl)C2	REAL300012048251	0	34	0.0	-58.18	304.13	9.36	-48.82
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Cl)C(Cl)=C1)C2	REAL300012048252	0	34	0.0	-72.11	310.61	9.46	-62.65
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048253	0	55	0.0	-64.11	429.53	13.61	-50.50
CCCCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048254	0	47	0.0	-66.69	373.83	10.30	-56.39
CC(C)CCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048255	0	50	0.0	-66.61	391.39	10.82	-55.79
CCCCCCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048256	0	53	0.0	-66.55	416.83	11.86	-54.69
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OC3=CC=CC=C3)=C1)C2	REAL300012048257	0	45	0.0	-69.14	367.38	11.33	-57.81
CCCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(OCCC)=C1	REAL300012048258	0	54	0.0	-59.52	423.40	10.59	-48.93
CCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012048259	0	45	0.0	-68.27	359.73	8.60	-59.67
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(OC)=C1OC	REAL300012048260	0	46	0.0	-62.96	365.86	7.51	-55.45
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OCC1=CC=CC=C1	REAL300012048261	0	52	0.0	-69.43	419.63	11.66	-57.77
COC1=CC=C(Br)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048262	0	38	0.0	-60.33	328.53	8.45	-51.88
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC(Br)=C1O	REAL300012048263	0	39	0.0	-73.47	339.36	6.26	-67.21
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC=C3)C=C1)C2	REAL300012048264	0	44	0.0	-64.40	351.99	11.88	-52.52
COC1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300012048265	0	44	0.0	-58.04	349.50	9.96	-48.08
O=C([O-])C1CC12CC([NH2+]CC1=C(Cl)C=CC=C1Cl)C2	REAL300012048266	0	34	0.0	-44.66	308.09	9.36	-35.30
COC1=CC(OC)=C(OC)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048267	0	46	0.0	-63.30	365.90	7.03	-56.27
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(N(C3=CC=CC=C3)C3=CC=CC=C3)C=C1)C2	REAL300012048268	0	56	0.0	-55.97	452.68	15.70	-40.27
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048269	0	44	0.0	-63.50	372.49	10.47	-53.03
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OCC3=CC=CC=C3)=C1)C2	REAL300012048270	0	48	0.0	-64.20	390.38	11.77	-52.43
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1Br)C2	REAL300012048271	0	34	0.0	-58.65	294.50	9.07	-49.58
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3=CC=C(Br)C=C3)N=C1)C2	REAL300012048272	0	41	0.0	-68.85	359.24	10.32	-58.53
O=C([O-])C1CC12CC([NH2+]CC1=CN(CC(F)(F)F)N=C1)C2	REAL300012048273	0	37	0.0	-72.42	321.34	7.66	-64.76
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1I)C2	REAL300012048274	0	34	0.0	-57.63	299.80	9.51	-48.12
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F)C2	REAL300012048275	0	42	0.0	-66.48	356.21	7.69	-58.79
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(N3CCCCC3)C([N+](=O)[O-])=C1)C2	REAL300012048276	0	51	0.0	-76.72	402.13	11.73	-64.99
CN(CCC#N)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048277	0	46	0.0	-68.35	373.65	10.34	-58.01
O=C([O-])C1CC12CC([NH2+]CC1=C(OC(F)F)C=CC3=CC=CC=C31)C2	REAL300012048278	0	44	0.0	-61.18	359.24	10.22	-50.96
CCOC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1OC	REAL300012048279	0	45	0.0	-59.30	360.62	8.74	-50.56
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OCC(N)=O	REAL300012048280	0	46	0.0	-84.62	376.02	5.65	-78.97
CCNC(=O)COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012048281	0	52	0.0	-78.79	419.88	7.93	-70.86
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC2=C1OCO2	REAL300012048282	0	41	0.0	-76.11	334.27	6.43	-69.68
COC1=CC2=C(C=C1C[NH2+]C1CC3(CC3C(=O)[O-])C1)OC(C)C2	REAL300012048283	0	46	0.0	-60.73	364.06	8.42	-52.31
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC(OC)=C1OCC(N)=O	REAL300012048284	0	50	0.0	-78.79	409.61	5.45	-73.34
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC(Cl)=C1OCC(N)=O	REAL300012048285	0	46	0.0	-83.19	395.98	6.31	-76.88
CCN(C(C)=O)C1=NC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CS1	REAL300012048286	1	43	0.0	-68.80	358.37	8.34	-60.46
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(I)=C1)C2	REAL300012048287	0	34	0.0	-67.41	306.47	9.58	-57.83
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(I)C=C1)C2	REAL300012048288	0	34	0.0	-68.19	307.25	9.59	-58.60
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=CC(Br)=C1)C2	REAL300012048289	0	34	0.0	-69.97	321.28	9.71	-60.26
O=C([O-])C1CC12CC([NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1)C2	REAL300012048290	0	44	0.0	-67.32	374.16	9.34	-57.98
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048291	0	47	0.0	-57.26	366.27	12.25	-45.01
CS(=O)(=O)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048292	0	40	0.0	-77.04	340.17	6.01	-71.03
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=C(Cl)C=C3)C=C1)C2	REAL300012048293	0	44	0.0	-65.49	368.72	12.39	-53.10
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OCC3=CC=CC=N3)=C1)C2	REAL300012048294	0	47	0.0	-66.18	383.15	10.07	-56.11
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C=N1)C2	REAL300012048295	0	33	0.0	-61.03	293.36	7.20	-53.83
O=C([O-])C1CC12CC([NH2+]CC1=CN=C(N3CCOCC3)S1)C2	REAL300012048296	0	43	0.0	-65.70	352.77	5.79	-59.91
CC1=NN(C)C2=NC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C12	REAL300012048297	0	42	0.0	-77.99	344.96	8.22	-69.77
CC(=O)N(C1=NC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CS1)C1=CC=C(F)C=C1	REAL300012048298	1	47	0.0	-67.55	404.36	10.81	-56.74
O=C([O-])C1CC12CC([NH2+]CC1=CN3C=C(Cl)C=CC3=N1)C2	REAL300012048299	0	37	0.0	-60.99	320.77	9.44	-51.55
CC1=CC=CN2C=C(COC3=CC=C(C[NH2+]C4CC5(CC5C(=O)[O-])C4)C=C3)N=C12	REAL300012048300	0	54	0.0	-70.42	436.38	12.86	-57.56
CCOCC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OC	REAL300012048301	0	48	0.0	-65.83	382.28	8.70	-57.13
O=C([O-])C1CC12CC([NH2+]CC1=NC=CN1CC(F)(F)F)C2	REAL300012048302	0	37	0.0	-69.17	316.52	8.01	-61.16
O=C([O-])C1CC12CC([NH2+]CC1=CSC(C3=CC=C4OCOC4=C3)=N1)C2	REAL300012048303	0	43	0.0	-66.77	369.98	7.95	-58.82
O=C([O-])C1CC12CC([NH2+]CC1=CC(C(F)(F)F)=CC=C1Br)C2	REAL300012048304	0	37	0.0	-61.07	333.25	10.05	-51.02
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C=C1C(F)(F)F)C2	REAL300012048305	0	37	0.0	-69.20	326.84	10.11	-59.09
O=C([O-])C1CC12CC([NH2+]CC1=C(F)C=CC=C1Br)C2	REAL300012048306	0	34	0.0	-57.09	302.50	8.99	-48.10
O=C([O-])C1CC12CC([NH2+]CC1=CSC=C1Br)C2	REAL300012048307	0	31	0.0	-57.92	285.35	7.95	-49.97
CC(C)COC1=CC=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048308	0	47	0.0	-57.88	370.68	10.25	-47.63
O=C([O-])C1CC12CC([NH2+]CC1=CC(F)=CC(Br)=C1)C2	REAL300012048309	0	34	0.0	-71.01	306.40	9.17	-61.84
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(F)=C1Br)C2	REAL300012048310	0	34	0.0	-58.11	298.23	9.06	-49.05
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(Br)=C1F)C2	REAL300012048311	0	34	0.0	-60.21	302.23	9.09	-51.12
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C)=C1OC	REAL300012048312	0	45	0.0	-65.78	353.51	8.31	-57.47
O=C([O-])C1CC12CC([NH2+]CC1=CSC(Cl)=C1Cl)C2	REAL300012048313	0	31	0.0	-61.03	300.05	8.47	-52.56
O=C([O-])C1CC12CC([NH2+]CC1=CN=C(C(F)(F)F)S1)C2	REAL300012048314	0	33	0.0	-67.92	303.14	6.84	-61.08
CS(=O)(=O)C1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048315	0	40	0.0	-76.20	339.38	6.00	-70.20
COC1=CC2=CC=CC=C2C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048316	0	44	0.0	-60.80	352.99	10.10	-50.70
CC1=NC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)N1C1=CC=CC=C1	REAL300012048317	0	44	0.0	-59.71	356.10	10.70	-49.01
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300012048318	0	44	0.0	-69.84	353.16	10.09	-59.75
COC1=CC=CC2=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=CC=C12	REAL300012048319	0	44	0.0	-64.56	348.43	9.98	-54.58
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048320	0	44	0.0	-62.35	354.40	10.31	-52.04
O=C([O-])C1CC12CC([NH2+]CC1=NC=C(C(F)(F)F)S1)C2	REAL300012048321	0	33	0.0	-64.94	304.43	6.80	-58.14
O=C([O-])C1CC12CC([NH2+]CC1=CC3=C(C=C1OC(F)F)OCO3)C2	REAL300012048322	0	41	0.0	-67.65	343.04	6.78	-60.87
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(Br)=C1	REAL300012048323	0	38	0.0	-59.27	324.85	8.33	-50.94
CC1=CC(Br)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)S1	REAL300012048324	0	34	0.0	-57.26	308.63	8.88	-48.38
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048325	0	49	0.0	-69.94	388.39	11.20	-58.74
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048326	0	44	0.0	-54.86	368.21	11.17	-43.69
CN1C(=O)CCC2=CC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CC=C21	REAL300012048327	0	45	0.0	-72.19	355.82	9.41	-62.78
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048328	0	49	0.0	-59.63	404.69	11.78	-47.85
CC1=CC=C(OC(F)F)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048329	0	41	0.0	-61.06	336.37	8.74	-52.32
O=C([O-])C1CC12CC([NH2+]CC1=CN=C(C3=CC=C(Cl)C=C3)S1)C2	REAL300012048330	0	40	0.0	-65.90	360.83	10.02	-55.88
O=C([O-])C1CC12CC([NH2+]CC1=CN=C(C3=CC=CC=C3F)S1)C2	REAL300012048331	0	40	0.0	-67.44	348.62	9.75	-57.69
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048332	0	51	0.0	-60.45	404.70	11.98	-48.47
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC=C1OCC1CC1)C2	REAL300012048333	0	45	0.0	-60.10	377.48	10.86	-49.24
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC(OC)=C1OCC(F)F	REAL300012048334	0	49	0.0	-74.20	405.89	8.85	-65.35
O=C([O-])C1CC12CC([NH2+]CC1=CC=NC3=C(Br)C=CC=C13)C2	REAL300012048335	0	39	0.0	-71.71	335.98	9.46	-62.25
O=C([O-])C1CC12CC([NH2+]CC1=CN=C(C3CCCC3)S1)C2	REAL300012048336	0	43	0.0	-61.56	348.98	9.06	-52.50
O=C([O-])C1CC12CC([NH2+]CC1=CN=C(C3=C(F)C=CC=C3F)S1)C2	REAL300012048337	0	40	0.0	-66.83	352.27	9.73	-57.10
O=C([O-])C1CC12CC([NH2+]CC1=CN=C(C3=CC=CO3)S1)C2	REAL300012048338	0	37	0.0	-67.34	326.88	7.58	-59.76
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C(Cl)=C1)C2	REAL300012048339	0	34	0.0	-72.19	314.82	9.56	-62.63
O=C([O-])C1CC12CC([NH2+]CC1=CN=C(CCC3=CC=CC=C3)S1)C2	REAL300012048340	0	46	0.0	-65.19	388.67	11.00	-54.19
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC(F)(F)F)C(Br)=C1)C2	REAL300012048341	0	38	0.0	-73.01	345.11	8.95	-64.06
CN1C=C(C2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2)C=N1	REAL300012048342	0	44	0.0	-70.07	359.60	9.80	-60.27
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC3=CC=CC(F)=C3)C=C1)C2	REAL300012048343	0	45	0.0	-70.46	374.11	11.42	-59.04
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC=C(F)C=C2)=N1	REAL300012048344	0	44	0.0	-65.55	364.65	9.71	-55.84
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC=C(C#N)C=C2)=N1	REAL300012048345	0	45	0.0	-70.24	379.08	10.03	-60.21
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=N1	REAL300012048346	0	48	0.0	-73.33	387.06	10.92	-62.41
O=C([O-])C1CC12CC([NH2+]CC1=CN=C(C3CCCO3)S1)C2	REAL300012048347	0	41	0.0	-65.88	343.13	6.70	-59.18
CC1=CC=CC=C1N1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)N=N1	REAL300012048348	0	43	0.0	-65.93	350.64	9.15	-56.78
CN1N=C(Br)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048349	0	34	0.0	-69.41	301.48	6.59	-62.82
CN1C=C(C2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)S2)C=N1	REAL300012048350	0	41	0.0	-66.81	353.04	9.16	-57.65
O=C([O-])C1CC12CC([NH2+]CC1=CC=C3OCCCCOC3=C1)C2	REAL300012048351	0	46	0.0	-67.28	358.19	9.38	-57.90
CCOC1=C(Cl)C=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048352	0	41	0.0	-59.88	344.48	9.34	-50.54
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C2	REAL300012048353	0	34	0.0	-66.44	311.92	9.47	-56.97
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048354	0	45	0.0	-63.09	364.67	8.85	-54.24
O=C([O-])C1CC12CC([NH2+]CC1=C(F)C=CC=C1OC(F)(F)F)C2	REAL300012048355	0	38	0.0	-59.20	329.10	8.36	-50.84
O=C([O-])C1CC12CC([NH2+]CC1=CC=NN1C1=CC=C(F)C=C1)C2	REAL300012048356	0	41	0.0	-65.37	341.70	9.44	-55.93
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC=C3Br)C=C1)C2	REAL300012048357	0	44	0.0	-64.14	374.41	12.50	-51.64
CC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CN(C)N=C2)=C1	REAL300012048358	0	47	0.0	-62.36	376.77	10.31	-52.05
CC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC=NN2C)=C1	REAL300012048359	0	47	0.0	-59.11	374.71	10.04	-49.07
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3=CC=C(C(F)(F)F)C=C3)N=C1)C2	REAL300012048360	0	44	0.0	-74.26	376.23	10.71	-63.55
CC1=CC(Br)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1Cl	REAL300012048361	0	37	0.0	-59.20	329.96	10.17	-49.03
O=C([O-])C1CC12CC([NH2+]CC1=C(Cl)N(CC3=CC=CC=C3)N=C1)C2	REAL300012048362	0	44	0.0	-61.59	378.42	10.45	-51.14
N#CCCN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC=NC=C2)=N1	REAL300012048363	0	47	0.0	-72.44	395.77	9.26	-63.18
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1)C2	REAL300012048364	0	40	0.0	-59.38	340.18	12.07	-47.31
COC(=O)C1=C(C)N(C)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048365	0	44	0.0	-70.03	357.13	8.99	-61.04
COCCOCC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048366	0	48	0.0	-67.66	390.02	8.45	-59.21
O=C([O-])C1CC12CC([NH2+]CC1=CSC=C1C(F)(F)F)C2	REAL300012048367	0	34	0.0	-57.54	299.00	8.46	-49.08
CC1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)SC2=C(Cl)C=CC=C12	REAL300012048368	0	40	0.0	-65.14	349.72	10.99	-54.15
O=C([O-])C1CC12CC([NH2+]CC1=CNC(C(=O)OCC3=CC=CC=C3)=C1)C2	REAL300012048369	0	48	0.0	-68.95	402.54	10.89	-58.06
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(F)C=C1I)C2	REAL300012048370	0	34	0.0	-59.36	307.10	9.53	-49.83
O=C([O-])C1CC12CC([NH2+]CC1=CC=C3OC(F)(F)OC3=C1)C2	REAL300012048371	0	37	0.0	-76.79	318.30	7.59	-69.20
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)O1	REAL300012048372	0	44	0.0	-61.70	363.08	8.92	-52.78
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=CN=C1Cl)C2	REAL300012048373	0	33	0.0	-63.44	307.37	7.71	-55.73
O=C([O-])C1CC12CC([NH2+]CC1=CC(OC(F)F)=CC=C1Br)C2	REAL300012048374	0	38	0.0	-58.39	331.72	8.58	-49.81
CC1=CC=C(C2=NC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)S2)C=C1C	REAL300012048375	0	46	0.0	-65.24	382.48	10.70	-54.54
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048376	0	44	0.0	-70.70	361.95	10.45	-60.25
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048377	0	44	0.0	-68.00	373.31	11.11	-56.89
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048378	0	44	0.0	-68.36	369.67	10.98	-57.38
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048379	0	47	0.0	-67.12	378.96	10.97	-56.15
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048380	0	44	0.0	-66.73	378.85	10.92	-55.81
COC1=CC(OC)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1F	REAL300012048381	0	42	0.0	-64.49	342.90	7.22	-57.27
COC1=CC(F)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012048382	0	42	0.0	-65.45	342.30	7.73	-57.72
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OCC3=CC=C(F)C=C3F)=C1)C2	REAL300012048383	0	48	0.0	-68.14	400.09	12.01	-56.13
CC(C)(C)SC1=C(Br)C=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048384	0	47	0.0	-57.96	381.30	11.61	-46.35
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048385	0	47	0.0	-67.36	379.02	10.96	-56.40
CCCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C)=C1	REAL300012048386	0	47	0.0	-61.15	364.69	10.07	-51.08
O=C([O-])C1CC12CC([NH2+]CC1=CC3=CC(Br)=CC=C3O1)C2	REAL300012048387	0	37	0.0	-67.02	328.25	9.62	-57.40
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OC3CC3)=C1F)C2	REAL300012048388	0	42	0.0	-62.34	345.01	9.47	-52.87
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(F)=C1OC(F)F)C2	REAL300012048389	0	38	0.0	-63.70	321.40	8.13	-55.57
O=C([O-])C1CC12CC([NH2+]CC1=CC(F)=CC=C1OC(F)F)C2	REAL300012048390	0	38	0.0	-62.90	321.36	8.14	-54.76
CN1C=C(C2=NN(C)C=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=N1	REAL300012048391	0	44	0.0	-64.16	362.36	7.47	-56.69
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2C1	REAL300012048392	0	58	0.0	-69.56	445.03	11.66	-57.90
O=C([O-])C1CC12CC([NH2+]CC1=CN=C(C3=CC=CC(Cl)=C3)S1)C2	REAL300012048393	0	40	0.0	-63.08	358.83	9.98	-53.10
O=C([O-])C1CC12CC([NH2+]CC1=CSC(C(F)(F)F)=C1)C2	REAL300012048394	0	34	0.0	-68.22	309.74	8.63	-59.59
O=C([O-])C1CC12CC([NH2+]CC1=C(C(F)(F)F)SC=C1)C2	REAL300012048395	0	34	0.0	-60.88	300.71	8.59	-52.29
CN(C)C1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=CC(F)=C1F	REAL300012048396	0	42	0.0	-65.58	338.87	8.51	-57.07
O=C([O-])C1CC12CC([NH2+]CC1=CNN=C1C1=CC=C(Br)S1)C2	REAL300012048397	0	38	0.0	-61.27	344.45	8.34	-52.93
O=C([O-])C1CC12CC([NH2+]CC1=C(F)C=CC(F)=C1Cl)C2	REAL300012048398	0	34	0.0	-60.58	304.38	8.96	-51.62
CC(C)OC1=CC(Cl)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1Cl	REAL300012048399	0	44	0.0	-61.48	377.07	10.32	-51.16
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC3CCOC3)C=C1)C2	REAL300012048400	0	46	0.0	-69.43	364.33	8.15	-61.28
CN(C)C1=CC(F)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1F	REAL300012048401	0	42	0.0	-63.86	345.53	8.03	-55.83
COC(=O)C1=C2CCCCN2C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048402	0	48	0.0	-70.12	380.79	10.21	-59.91
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC(C(F)(F)F)=C1	REAL300012048403	0	41	0.0	-70.65	346.92	8.78	-61.87
C=CCOC1=C(Cl)C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012048404	0	46	0.0	-74.24	392.15	9.86	-64.38
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC1CC1	REAL300012048405	0	46	0.0	-72.56	368.48	9.36	-63.20
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC=C1I)C2	REAL300012048406	0	34	0.0	-56.99	315.41	9.92	-47.07
CN1N=C(C(F)(F)F)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048407	0	37	0.0	-71.66	321.18	7.08	-64.58
COCC(C)OC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048408	0	48	0.0	-68.60	381.06	8.69	-59.91
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300012048409	0	51	0.0	-67.67	421.44	9.41	-58.26
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F)C2	REAL300012048410	0	48	0.0	-63.08	399.12	12.07	-51.01
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CS3)C=C1)C2	REAL300012048411	0	41	0.0	-65.14	345.14	11.07	-54.07
O=C([O-])C1CC12CC([NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C2	REAL300012048412	0	47	0.0	-65.92	374.44	10.65	-55.27
O=C([O-])C1CC12CC([NH2+]CC1=CC(C(F)(F)F)=C(Br)C=C1F)C2	REAL300012048413	0	37	0.0	-67.04	339.08	10.01	-57.03
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F)C2	REAL300012048414	0	41	0.0	-65.40	353.28	9.27	-56.13
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1)C2	REAL300012048415	0	43	0.0	-71.07	371.95	10.88	-60.19
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1C(C)(C)C	REAL300012048416	0	50	0.0	-66.52	379.36	10.47	-56.05
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048417	0	42	0.0	-57.43	351.90	7.70	-49.73
CC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=NC=C1Br	REAL300012048418	0	36	0.0	-64.64	313.89	7.83	-56.81
CC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C(Br)C=C1F	REAL300012048419	0	37	0.0	-61.96	321.21	9.77	-52.19
O=C([O-])C1CC12CC([NH2+]CC1=C(O)C=CC=C1Br)C2	REAL300012048420	0	35	0.0	-60.68	306.90	6.18	-54.50
CN1C=C(C2=NC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CS2)C=N1	REAL300012048421	0	40	0.0	-66.85	348.59	7.07	-59.78
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3=CC=C(F)C=C3)N=N1)C2	REAL300012048422	0	40	0.0	-69.26	335.92	8.32	-60.94
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1CC(F)(F)F)C2	REAL300012048423	0	40	0.0	-64.43	328.36	10.05	-54.38
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(Br)=N1	REAL300012048424	0	34	0.0	-64.72	302.55	6.77	-57.95
O=C([O-])C1CC12CC([NH2+]CC1=NC=C(Br)C=C1F)C2	REAL300012048425	0	33	0.0	-58.85	298.72	7.23	-51.62
COC1=CC(Cl)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC	REAL300012048426	0	42	0.0	-63.51	349.62	8.16	-55.35
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C2	REAL300012048427	0	40	0.0	-66.84	340.46	10.27	-56.57
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048428	0	54	0.0	-70.60	426.59	8.94	-61.66
CCOC(=O)C1=C(C)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C(C)N1	REAL300012048429	0	47	0.0	-68.18	379.18	8.87	-59.31
O=C([O-])C1CC12CC([NH2+]CC1=C(F)C=CC(C(F)(F)F)=C1Br)C2	REAL300012048430	0	37	0.0	-60.16	336.71	9.87	-50.29
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC=C3)C(Cl)=C1)C2	REAL300012048431	0	44	0.0	-70.33	371.70	12.46	-57.87
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C(F)=C1F)C2	REAL300012048432	0	34	0.0	-69.12	310.44	9.19	-59.93
O=C([O-])C1CC12CC([NH2+]CC1=C(Br)SC=C1)C2	REAL300012048433	0	31	0.0	-59.22	287.09	8.13	-51.09
CCOC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C(F)C=C1OC	REAL300012048434	0	45	0.0	-65.38	364.15	8.65	-56.73
COC1=NC=C(Br)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048435	0	37	0.0	-61.48	326.15	5.86	-55.62
O=C([O-])C1CC12CC([NH2+]CC1=CC=CN=C1Br)C2	REAL300012048436	0	33	0.0	-63.23	289.61	7.18	-56.05
O=C([O-])C1CC12CC([NH2+]CC1=CNN=C1CN1C(=O)C3=CC=CC=C3C1=O)C2	REAL300012048437	0	48	0.0	-68.03	398.48	8.11	-59.92
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C(F)C=C1Br	REAL300012048438	0	38	0.0	-62.04	331.51	8.44	-53.60
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(Br)=C1Cl)C2	REAL300012048439	0	34	0.0	-58.25	308.34	9.47	-48.78
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(F)=C1OC(F)(F)F)C2	REAL300012048440	0	38	0.0	-65.02	328.03	8.37	-56.65
CC(C)OC1=CC=C(F)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048441	0	44	0.0	-60.08	353.40	9.46	-50.62
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C(=O)N3CCCC3)C=C1)C2	REAL300012048442	0	48	0.0	-75.12	373.78	9.47	-65.65
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC(F)F)C=C1F)C2	REAL300012048443	0	38	0.0	-64.19	323.90	8.08	-56.11
CC(C)(C)OC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048444	0	47	0.0	-65.18	359.09	9.63	-55.55
CC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C)=C1Br	REAL300012048445	0	40	0.0	-62.80	330.21	10.18	-52.62
CC1=CC=NC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1Br	REAL300012048446	0	36	0.0	-57.29	310.73	7.73	-49.56
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048447	0	51	0.0	-69.57	401.55	8.73	-60.84
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC(F)=CC=C2F)=N1	REAL300012048448	0	44	0.0	-64.14	371.35	9.78	-54.36
O=C([O-])C1CC12CC([NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1)C2	REAL300012048451	0	44	0.0	-63.74	384.54	10.11	-53.63
CN1N=C2CCSCC2=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048452	0	42	0.0	-68.56	342.64	8.12	-60.44
CCN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300012048453	0	47	0.0	-61.99	379.84	10.50	-51.49
COCC1=C(C)C=C(C)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1C	REAL300012048454	0	50	0.0	-60.79	379.97	9.69	-51.10
CC1=CC(OC2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C(Cl)=C2)=CC=C1F	REAL300012048455	0	48	0.0	-63.30	408.89	12.54	-50.76
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(Cl)=C1	REAL300012048456	0	51	0.0	-63.44	423.01	13.33	-50.11
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1)C2	REAL300012048457	0	45	0.0	-64.00	390.74	11.98	-52.02
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048458	0	48	0.0	-62.72	408.78	12.57	-50.15
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1F	REAL300012048459	0	48	0.0	-64.34	409.92	12.56	-51.78
O=C([O-])C1CC12CC([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(F)=C1)C2	REAL300012048460	0	45	0.0	-65.83	395.48	11.97	-53.86
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048461	0	48	0.0	-61.61	402.89	12.53	-49.08
O=C([O-])C1CC12CC([NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1)C2	REAL300012048462	0	45	0.0	-61.83	389.55	11.94	-49.89
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048463	0	51	0.0	-59.32	423.81	13.34	-45.98
CC1=C(Br)C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)S1	REAL300012048464	0	34	0.0	-62.80	311.67	8.98	-53.82
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(C3=CC=C(Cl)C=C3)=C1)C2	REAL300012048465	0	44	0.0	-66.31	370.06	12.41	-53.90
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(F)=C1I)C2	REAL300012048466	0	34	0.0	-56.80	303.35	9.49	-47.31
CCCOC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1C	REAL300012048467	0	47	0.0	-64.24	372.05	10.26	-53.98
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1COC1=CC=CC=C1	REAL300012048468	0	52	0.0	-67.77	416.63	11.22	-56.55
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1CN1C=CC=N1	REAL300012048469	0	48	0.0	-69.14	390.91	9.47	-59.67
CC1=CC=C(Br)C(F)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048470	0	37	0.0	-64.14	321.19	9.66	-54.48
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OC1=CC=C(Cl)C(Cl)=C1)C2	REAL300012048471	0	45	0.0	-63.17	400.05	12.40	-50.77
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C)=C1	REAL300012048472	0	51	0.0	-61.38	424.71	13.22	-48.16
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048473	0	42	0.0	-72.33	338.37	10.14	-62.19
COC1=CC=C(CN2C=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)N=N2)C=C1	REAL300012048474	0	47	0.0	-73.40	386.75	8.11	-65.29
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(F)=C1OC	REAL300012048475	0	42	0.0	-65.54	347.13	7.82	-57.72
COC(=O)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(F)=C1	REAL300012048476	0	40	0.0	-66.87	339.42	9.16	-57.71
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OC3=CC=CC=N3)=C1)C2	REAL300012048477	0	44	0.0	-65.43	365.76	8.86	-56.57
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(COC3=CC=CC=C3)=C1)C2	REAL300012048478	0	48	0.0	-67.89	389.96	11.76	-56.13
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OCC(F)F)C2	REAL300012048479	0	41	0.0	-60.32	342.10	9.09	-51.23
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=C(Br)S1)C2	REAL300012048480	0	31	0.0	-66.08	311.15	8.90	-57.18
O=C([O-])C1CC12CC([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C(Cl)=C1)C2	REAL300012048481	0	45	0.0	-65.87	395.48	11.95	-53.92
O=C([O-])C1CC12CC([NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1)C2	REAL300012048482	0	45	0.0	-64.46	387.37	11.63	-52.83
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1)C2	REAL300012048483	0	45	0.0	-61.97	398.86	12.31	-49.66
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048484	0	52	0.0	-57.81	418.82	11.95	-45.86
O=C([O-])C1CC12CC([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1)C2	REAL300012048485	0	45	0.0	-62.61	388.52	11.87	-50.74
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC(Cl)=C1)C2	REAL300012048486	0	45	0.0	-60.35	398.87	12.31	-48.04
O=C([O-])C1CC12CC([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C=C1Cl)C2	REAL300012048487	0	45	0.0	-59.90	396.81	12.08	-47.82
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048488	0	49	0.0	-62.42	412.01	12.37	-50.05
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048489	0	50	0.0	-65.10	395.96	11.53	-53.57
O=C([O-])C1CC12CC([NH2+]CC1=CSC(C3=CC=C(Cl)C=C3)=N1)C2	REAL300012048490	0	40	0.0	-64.19	360.66	9.78	-54.41
COC1=CC=C(C2=NC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CS2)C=C1	REAL300012048491	0	44	0.0	-60.88	371.36	8.54	-52.34
CS(=O)(=O)NC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048493	0	42	0.0	-78.23	352.27	5.20	-73.03
CN1C(Cl)=NC(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048494	0	34	0.0	-68.64	312.54	7.76	-60.88
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048495	1	54	0.0	-51.03	401.77	10.63	-40.40
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OCCN3C=CN=C3)C(Cl)=C1)C2	REAL300012048496	0	48	0.0	-74.94	407.96	11.88	-63.06
CC1=NN2C(=NC(C)=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)S1	REAL300012048497	0	39	0.0	-64.47	333.43	7.64	-56.83
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)S1	REAL300012048498	0	45	0.0	-63.83	375.41	8.96	-54.87
O=C([O-])C1CC12CC([NH2+]CC1=C(Cl)C=CC3=CC=CN=C31)C2	REAL300012048499	0	39	0.0	-47.28	332.26	9.41	-37.87
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C(F)(F)F)S1)C2	REAL300012048500	0	34	0.0	-67.65	309.95	8.79	-58.86
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(OCC2=CC=CN=C2)=C1	REAL300012048501	0	51	0.0	-62.68	413.29	9.33	-53.35
O=C([O-])C1CC12CC([NH2+]CC1=NC3=CC=C(Br)C=C3S1)C2	REAL300012048502	0	36	0.0	-51.06	329.56	8.48	-42.58
CN(C)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300012048503	0	45	0.0	-68.32	360.05	9.95	-58.37
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048504	0	44	0.0	-50.10	361.73	11.16	-38.94
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048505	0	43	0.0	-66.47	369.35	10.07	-56.40
O=C([O-])C1CC12CC([NH2+]CC1=CC=C3C(=C1)CCN3CC1=CC=CC=C1)C2	REAL300012048506	0	53	0.0	-67.91	415.79	11.99	-55.92
O=C([O-])C1CC12CC([NH2+]CC1=C(Cl)N=C3C=C(Cl)C=CN31)C2	REAL300012048507	0	37	0.0	-69.80	338.98	9.83	-59.97
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3=CC=CC=C3Br)N=N1)C2	REAL300012048508	0	40	0.0	-71.40	345.62	8.92	-62.48
O=C([O-])C1CC12CC([NH2+]CC1=CN3C=CC(Br)=CC3=N1)C2	REAL300012048509	0	37	0.0	-62.33	325.37	9.56	-52.77
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048510	0	45	0.0	-65.65	364.41	9.86	-55.79
COCC1=CC=CC=C1C=C(C)C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048511	0	48	0.0	-53.99	378.51	10.14	-43.85
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048512	0	44	0.0	-59.20	353.54	9.37	-49.83
O=C([O-])C1CC12CC([NH2+]CC1=CON=C1CC1=CC=CC=C1)C2	REAL300012048513	0	43	0.0	-70.78	354.54	10.21	-60.57
COC1=CC=C(N2C=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=N2)C=C1	REAL300012048514	0	45	0.0	-73.14	367.01	8.99	-64.15
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048515	0	49	0.0	-62.43	397.98	11.81	-50.62
O=C([O-])C1CC12CC([NH2+]CC1=CC3=CC(Cl)=CN=C3O1)C2	REAL300012048516	0	36	0.0	-54.86	318.02	6.47	-48.39
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(N3CCCCC3)C(Br)=C1)C2	REAL300012048517	0	49	0.0	-68.69	396.22	10.95	-57.74
O=C([O-])C1CC12CC([NH2+]CC1=CC=NC=C1Br)C2	REAL300012048518	0	33	0.0	-62.60	289.94	7.28	-55.32
CS(=O)(=O)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)S1	REAL300012048519	0	37	0.0	-72.52	332.16	5.17	-67.35
O=C([O-])C1CC12CC([NH2+]CC1=C(C3=CC=CC=C3)N(C3CCCC3)N=C1)C2	REAL300012048520	0	54	0.0	-59.87	422.18	12.43	-47.44
NS(=O)(=O)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(F)=C1	REAL300012048521	0	39	0.0	-70.82	338.84	3.47	-67.35
CC1=C(Br)C=NC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048522	0	36	0.0	-66.52	308.29	7.77	-58.75
CN1N=CC(C(F)(F)F)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048523	0	37	0.0	-67.11	316.71	7.08	-60.03
COC1=CC=C(C2=CC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CC3=C2OCO3)C=N1	REAL300012048524	0	50	0.0	-77.98	412.59	7.52	-70.46
O=C([O-])C1CC12CC([NH2+]CC1=CC=NN1C1CCOCC1)C2	REAL300012048525	0	45	0.0	-68.74	354.74	7.10	-61.64
O=C([O-])C1CC12CC([NH2+]CC1=C(OC3=CC=C(F)C=C3)N=C3C=CC=CN31)C2	REAL300012048526	0	48	0.0	-69.11	398.10	11.61	-57.50
O=C([O-])C1CC12CC([NH2+]CC1=CN(CC3CCOC3)N=N1)C2	REAL300012048527	0	44	0.0	-72.14	353.54	5.93	-66.21
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OCCN3CCOCC3)C=C1)C2	REAL300012048528	0	54	0.0	-66.60	420.51	7.39	-59.21
CC(C)(C)OC(=O)NC(C[NH2+]C1CC2(CC2C(=O)[O-])C1)CC(F)F	REAL300012048529	0	50	0.0	-63.26	386.59	7.33	-55.93
O=C([O-])C1CC12CC([NH2+]CC1=CN(CC3CCCO3)N=N1)C2	REAL300012048530	0	44	0.0	-67.50	351.61	6.01	-61.49
O=C([O-])C1CC12CC([NH2+]CC1=CC3=CC=CC(F)=C3N=C1)C2	REAL300012048531	0	39	0.0	-78.12	326.11	8.93	-69.19
NS(=O)(=O)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048532	0	39	0.0	-78.04	333.65	3.45	-74.59
CN1C=CC(C2=NC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CS2)=N1	REAL300012048533	0	40	0.0	-63.80	346.69	6.90	-56.90
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300012048534	0	47	0.0	-65.67	367.41	9.38	-56.29
CC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1Br	REAL300012048535	0	37	0.0	-57.19	313.57	9.59	-47.60
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OC3=CC=C(F)C=C3)=C1)C2	REAL300012048536	0	45	0.0	-66.24	374.24	11.40	-54.84
CN(C)C(=O)C1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048537	0	44	0.0	-72.00	350.86	8.34	-63.66
CC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C2CCCCC2=N1	REAL300012048538	0	46	0.0	-66.47	351.67	9.65	-56.82
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1N1CCCCC1)C2	REAL300012048539	0	49	0.0	-57.90	373.00	10.50	-47.40
O=C([O-])C1CC12CC([NH2+]CC1=CSC(C(F)(F)F)=N1)C2	REAL300012048540	0	33	0.0	-62.97	302.72	6.54	-56.43
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=CC=C1Br)C2	REAL300012048541	0	34	0.0	-58.14	314.65	9.59	-48.55
COC(=O)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1C	REAL300012048542	0	43	0.0	-74.02	349.53	9.69	-64.33
CC1=C(Cl)C=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1Cl	REAL300012048543	0	37	0.0	-60.60	324.57	9.95	-50.65
CC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C(C)C=C1I	REAL300012048544	0	40	0.0	-63.76	339.24	10.72	-53.04
N#CC1=CC=C(Br)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048545	0	35	0.0	-62.58	313.28	9.41	-53.17
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048546	0	47	0.0	-59.14	381.51	10.04	-49.10
COC(=O)COC1=CC=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048547	0	44	0.0	-61.37	363.58	9.43	-51.94
CN(C)C(=O)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048548	0	44	0.0	-76.91	350.53	8.34	-68.57
CCNC(=O)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048549	0	44	0.0	-75.61	357.44	7.61	-68.00
COC1=CC=C2SC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CC2=C1	REAL300012048550	0	41	0.0	-65.49	346.02	9.31	-56.18
CCN(CC)C(=O)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048551	0	50	0.0	-76.59	390.73	10.21	-66.38
CCN1CCC2=CC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CC=C21	REAL300012048552	0	46	0.0	-66.39	351.13	8.63	-57.76
CCN(C)C(=O)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048553	0	47	0.0	-76.76	372.35	9.35	-67.41
CSC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1Cl	REAL300012048554	0	38	0.0	-70.95	333.91	9.96	-60.99
CC1=NN(C2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C(C)=C2)C=C1	REAL300012048555	0	47	0.0	-69.12	374.75	10.81	-58.31
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C2	REAL300012048556	0	40	0.0	-70.96	350.68	10.37	-60.59
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048557	0	44	0.0	-67.91	369.45	10.79	-57.12
CCC1=CC(Br)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)S1	REAL300012048558	0	37	0.0	-57.83	332.13	9.71	-48.12
CC1=NN(C2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2)C=C1Cl	REAL300012048559	0	44	0.0	-73.39	375.91	10.79	-62.60
COC(=O)C1=CC2=C(C=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)O2)N1	REAL300012048560	0	41	0.0	-72.18	347.67	7.27	-64.91
CC(C)(C[NH2+]C1CC2(CC2C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300012048561	0	43	0.0	-64.77	347.14	10.76	-54.01
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC(Br)=C1)C2	REAL300012048562	0	34	0.0	-70.02	316.72	9.61	-60.41
CC1=CC=C(C2=CC=CC=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C)=C1	REAL300012048563	0	50	0.0	-56.69	389.75	12.98	-43.71
COC1=CC=CC(C2=CSC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=N2)=C1	REAL300012048564	0	44	0.0	-64.40	371.66	8.55	-55.85
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048565	0	54	0.0	-70.34	427.37	8.95	-61.39
COC(=O)C1=C2COCCN2C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048566	0	46	0.0	-72.40	372.50	7.84	-64.56
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C(=O)N3CCCCC3)C=C1)C2	REAL300012048567	0	51	0.0	-74.60	392.58	10.39	-64.21
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048568	0	44	0.0	-70.05	350.41	11.39	-58.66
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C2	REAL300012048569	0	37	0.0	-63.48	339.29	10.27	-53.21
O=C([O-])C1CC12CC([NH2+]CC1=CNN=C1C1=CC=C(Cl)O1)C2	REAL300012048570	0	38	0.0	-60.93	335.30	7.39	-53.54
NS(=O)(=O)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(Br)=C1	REAL300012048571	0	39	0.0	-68.23	349.56	3.99	-64.24
O=C([O-])C1CC12CC([NH2+]CC1=CN=C(C3CCOCC3)O1)C2	REAL300012048572	0	44	0.0	-67.42	351.36	4.94	-62.48
O=C([O-])C1CC12CC([NH2+]CC1=C(Cl)C=CC=C1Br)C2	REAL300012048573	0	34	0.0	-55.81	311.23	9.37	-46.44
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(F)C(Br)=C1F)C2	REAL300012048574	0	34	0.0	-68.82	309.85	9.17	-59.65
O=C([O-])C1CC12CC([NH2+]CC1=CN(CC3=CC=CC=C3)N=N1)C2	REAL300012048575	0	43	0.0	-71.07	357.24	8.81	-62.26
CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)CC1	REAL300012048576	0	54	0.0	-55.10	403.70	9.56	-45.54
CC1=CC(Br)=CN=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048577	0	36	0.0	-63.58	311.64	7.81	-55.77
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C2	REAL300012048578	0	40	0.0	-74.12	352.57	6.41	-67.71
CC1OC2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2C1C	REAL300012048579	0	45	0.0	-69.09	352.09	9.59	-59.50
CC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OC(F)F	REAL300012048580	0	41	0.0	-64.47	338.45	8.81	-55.66
CC1=NC(Cl)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1Br	REAL300012048581	0	36	0.0	-63.11	325.73	8.22	-54.89
CN1N=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1S(C)(=O)=O	REAL300012048582	0	40	0.0	-72.95	329.49	3.78	-69.17
CCOC1=CC(Br)=CC(F)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048583	0	41	0.0	-59.12	355.75	9.41	-49.71
CC1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)NN=C1C(F)(F)F	REAL300012048584	0	37	0.0	-71.34	318.82	6.40	-64.94
CS(=O)(=O)C1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=CS1	REAL300012048585	0	37	0.0	-71.95	318.61	5.35	-66.60
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2)O1	REAL300012048586	0	51	0.0	-70.56	426.67	10.65	-59.91
CC1=C(Br)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C(C)S1	REAL300012048587	0	37	0.0	-44.15	327.37	9.44	-34.71
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC=CC(F)=C2)=N1	REAL300012048588	0	44	0.0	-64.96	364.72	9.69	-55.27
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C2	REAL300012048589	0	38	0.0	-64.02	330.64	8.29	-55.73
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C2	REAL300012048590	0	40	0.0	-70.07	349.89	10.37	-59.70
CC1=NC=CN1C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C)=C1	REAL300012048591	0	47	0.0	-71.04	374.27	11.49	-59.55
CC1=C(C)N(C2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2)C=N1	REAL300012048592	0	47	0.0	-72.29	375.51	12.07	-60.22
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3CC3)C(C3CC3)=C1)C2	REAL300012048593	0	48	0.0	-62.83	374.10	12.51	-50.32
CCNC(=O)C1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048595	0	44	0.0	-70.91	356.65	7.61	-63.30
CC1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300012048596	0	40	0.0	-66.69	333.79	9.70	-56.99
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048597	0	44	0.0	-69.62	359.19	9.64	-59.98
O=C([O-])C1CC12CC([NH2+]CC1=CC3=C(Br)C=CC=C3S1)C2	REAL300012048598	0	37	0.0	-63.31	336.91	10.59	-52.72
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC=CC=C2Br)=N1	REAL300012048599	0	44	0.0	-62.03	377.35	10.29	-51.74
O=C([O-])C1CC12CC([NH2+]CC1=NN(CC(F)(F)F)C=C1)C2	REAL300012048600	0	37	0.0	-63.93	319.35	7.50	-56.43
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC3=C1C1=C(C=CC=C1)N3)C2	REAL300012048601	0	44	0.0	-59.19	346.50	10.34	-48.85
O=C([O-])C1CC12CC([NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1)C2	REAL300012048602	0	41	0.0	-64.24	356.34	8.95	-55.29
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300012048603	0	37	0.0	-63.70	315.87	7.26	-56.44
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048604	0	47	0.0	-70.93	394.18	11.21	-59.72
CCOC1=CC=C(Cl)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048605	0	41	0.0	-58.68	343.79	9.22	-49.46
O=C([O-])C1CC12CC([NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1)C2	REAL300012048606	0	41	0.0	-65.38	356.72	8.95	-56.43
O=C([O-])C1CC12CC([NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)C2	REAL300012048607	0	41	0.0	-65.10	341.45	8.40	-56.70
O=C([O-])C1CC12CC([NH2+]CC1=C(Br)C=CC=C1Br)C2	REAL300012048608	0	34	0.0	-43.83	316.15	9.52	-34.31
O=C([O-])C1CC12CC([NH2+]CC1=C(Br)C=CC=C1OC(F)F)C2	REAL300012048609	0	38	0.0	-57.85	335.12	8.61	-49.24
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3CCCCC3)N=C1)C2	REAL300012048610	0	47	0.0	-65.57	363.77	9.54	-56.03
O=C([O-])C1CC12CC([NH2+]CC1=C(Cl)N(C3=CC=CC=C3)N=C1)C2	REAL300012048611	0	41	0.0	-62.95	350.94	9.91	-53.04
O=C([O-])C1CC12CC([NH2+]CC1=C(F)C=C(Br)C=C1F)C2	REAL300012048612	0	34	0.0	-61.95	313.93	9.24	-52.71
CN(CCO)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=N1	REAL300012048613	0	45	0.0	-69.09	358.27	6.06	-63.03
COC1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=CC=C1C(C)(C)C	REAL300012048614	0	50	0.0	-58.19	372.17	10.21	-47.98
CN1C=C(Br)N=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048615	0	34	0.0	-68.65	300.44	7.33	-61.32
CC(C)(OCC1=CC=CC=C1)C1=CC=C(F)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048616	0	57	0.0	-58.62	447.30	13.25	-45.37
O=C([O-])C1CC12CC([NH2+]CC1=CC3=CC=C(F)C=C3NC1=O)C2	REAL300012048617	0	40	0.0	-71.20	335.84	7.60	-63.60
CN1C(=O)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300012048618	0	43	0.0	-67.77	345.57	9.26	-58.51
CC1=CC(C)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C)=C1Br	REAL300012048619	0	43	0.0	-62.09	348.57	10.63	-51.46
O=C([O-])C1CC12CC([NH2+]CC=CC1=CC=C3OCOC3=C1)C2	REAL300012048620	0	41	0.0	-70.81	334.88	8.40	-62.41
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048621	0	44	0.0	-71.88	375.67	9.26	-62.62
O=C([O-])C1CC12CC([NH2+]CC1=C(F)C=CC(Cl)=C1F)C2	REAL300012048622	0	34	0.0	-61.56	305.97	9.02	-52.54
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048623	0	51	0.0	-72.10	400.50	8.74	-63.36
CC1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300012048624	0	37	0.0	-62.96	318.03	8.27	-54.69
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CSC=C3)N=C1)C2	REAL300012048625	0	40	0.0	-71.47	341.62	9.27	-62.20
CN1C=C(C2=NNC=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=N1	REAL300012048626	0	41	0.0	-64.62	339.40	6.17	-58.45
CCCN1N=C(C)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1Cl	REAL300012048627	0	43	0.0	-64.47	360.14	8.76	-55.71
CC(C)(C#N)C1=NC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)S1	REAL300012048628	0	40	0.0	-67.86	345.76	7.82	-60.04
COC1=CC=C(Br)C(F)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048629	0	38	0.0	-60.36	333.23	8.46	-51.90
O=C([O-])C1CC12CC([NH2+]CC1=C(F)C=C(C(F)(F)F)C=C1Br)C2	REAL300012048630	0	37	0.0	-60.38	341.22	9.98	-50.40
N#CC1=CC(F)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(Br)=C1	REAL300012048631	0	35	0.0	-63.97	323.27	9.38	-54.59
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CSC=C3)C=C1)C2	REAL300012048632	0	41	0.0	-66.80	345.05	10.91	-55.89
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC3=CC(Cl)=CC=C31)C2	REAL300012048633	0	40	0.0	-64.81	336.78	11.12	-53.69
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Cl)C(Br)=C1F)C2	REAL300012048634	0	34	0.0	-67.83	318.97	9.59	-58.24
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OC1CCCCC1)C2	REAL300012048635	0	51	0.0	-58.03	388.64	11.30	-46.73
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC3=CC=CC(Cl)=C3)C=C1)C2	REAL300012048636	0	45	0.0	-70.24	384.41	11.87	-58.37
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1COC1CCCCC1)C2	REAL300012048637	0	54	0.0	-62.75	409.31	11.99	-50.76
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1)C2	REAL300012048638	0	48	0.0	-61.18	405.72	12.34	-48.84
COC1=CC=CC(OC2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2)=C1	REAL300012048639	0	49	0.0	-72.86	397.20	10.66	-62.20
CCN1CCCC2=CC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CC=C21	REAL300012048640	0	49	0.0	-62.95	368.06	9.50	-53.45
COCC1=CN=C(OC)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048641	0	44	0.0	-63.45	359.00	5.02	-58.43
CN1N=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1Br	REAL300012048642	0	34	0.0	-60.21	299.80	6.64	-53.57
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048643	0	49	0.0	-73.42	397.90	11.28	-62.14
COC1=C(Br)C=CC(F)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048644	0	38	0.0	-60.99	334.28	8.53	-52.46
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1)C2	REAL300012048645	0	47	0.0	-67.36	388.20	13.18	-54.18
O=C([O-])C1CC12CC([NH2+]CC1=C(Br)C=CC=C1OC(F)(F)F)C2	REAL300012048646	0	38	0.0	-57.26	341.88	8.83	-48.43
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C2	REAL300012048647	0	38	0.0	-66.76	335.52	9.94	-56.82
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OCC3=CC=C(Cl)C=C3)=C1)C2	REAL300012048648	0	48	0.0	-64.69	407.12	12.30	-52.39
O=C([O-])C1CC12CC([NH2+]CC1=CC=C3C(=C1)CCC31OCCO1)C2	REAL300012048649	0	47	0.0	-69.90	371.89	9.16	-60.74
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C=C1OC(F)F)C2	REAL300012048650	0	38	0.0	-65.66	338.27	8.75	-56.91
CC1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)SC2=CC(F)=CC=C12	REAL300012048651	0	40	0.0	-65.55	339.62	10.61	-54.94
COC1=CC=C(F)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1OC	REAL300012048652	0	42	0.0	-60.31	344.63	7.79	-52.52
COC1=CC(OC)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C2=NC(Cl)=CC=C12	REAL300012048653	0	47	0.0	-58.85	392.25	8.18	-50.67
CN1C=CC(C2=NNC=C2C[NH2+]C2CC3(CC3C(=O)[O-])C2)=N1	REAL300012048654	0	41	0.0	-60.63	339.39	6.53	-54.10
CC1=CC=C(F)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1Br	REAL300012048655	0	37	0.0	-56.81	320.72	9.56	-47.25
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OCCC1CCCCC1)C2	REAL300012048656	0	57	0.0	-58.24	431.28	12.78	-45.46
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(OCC3CCC3)=C1)C2	REAL300012048657	0	48	0.0	-62.80	378.72	10.84	-51.96
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OCCO	REAL300012048658	0	46	0.0	-70.77	371.10	5.52	-65.25
COC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1OCCO	REAL300012048659	0	46	0.0	-74.25	370.66	5.53	-68.72
CN1C=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C2=CC=NN2C)=N1	REAL300012048660	0	44	0.0	-64.25	364.64	7.38	-56.87
COC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CC=C1OCC1CCCO1	REAL300012048661	0	53	0.0	-74.18	416.37	9.12	-65.06
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(F)=C1C(F)(F)F)C2	REAL300012048662	0	37	0.0	-74.31	312.95	9.57	-64.74
O=C([O-])C1CC12CC([NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F)C2	REAL300012048663	0	41	0.0	-61.32	354.03	9.25	-52.07
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CN=C(C(F)F)S3)C=C1)C2	REAL300012048664	0	43	0.0	-69.02	375.11	10.20	-58.82
O=C([O-])C1CC12CC([NH2+]CC1=C(Br)C=CC3=C1OCO3)C2	REAL300012048665	0	37	0.0	-58.98	323.20	7.63	-51.35
CS(=O)(=O)C1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)SC=C1	REAL300012048666	0	37	0.0	-64.58	320.70	5.12	-59.46
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C2	REAL300012048667	0	37	0.0	-64.96	323.40	9.50	-55.46
CC(C)OC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1F	REAL300012048668	0	44	0.0	-72.44	354.21	9.42	-63.02
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(F)C(Cl)=C1F)C2	REAL300012048669	0	34	0.0	-68.79	305.59	9.08	-59.71
CS(=O)(=O)C1=CSC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048670	0	37	0.0	-69.60	331.31	5.08	-64.52
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3=CC=CC(Cl)=C3)N=C1)C2	REAL300012048671	0	41	0.0	-70.95	354.25	10.22	-60.73
CC1=NN(C2CCCC2)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048672	0	47	0.0	-66.13	367.18	9.56	-56.57
O=C([O-])C1CC12CC([NH2+]CC1=C(Br)C=C(C(F)(F)F)S1)C2	REAL300012048673	0	34	0.0	-61.47	327.38	9.27	-52.20
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C=C1OC1CC1)C2	REAL300012048674	0	42	0.0	-60.54	359.49	10.14	-50.40
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048675	0	44	0.0	-67.14	358.48	9.16	-57.98
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F)C2	REAL300012048676	0	37	0.0	-73.26	320.62	9.94	-63.32
O=C([O-])C1CC12CC([NH2+]CC1=C(F)C=CC(Br)=C1Cl)C2	REAL300012048677	0	34	0.0	-60.07	317.92	9.47	-50.60
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3=CC=CC(F)=C3)N=C1)C2	REAL300012048678	0	41	0.0	-71.46	343.93	9.77	-61.69
COC1=NC(C)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C)=C1Cl	REAL300012048679	0	43	0.0	-67.43	353.54	6.70	-60.73
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048680	0	43	0.0	-65.00	354.01	8.80	-56.20
CC1=NN(C2CCCCC2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048681	0	50	0.0	-64.07	383.39	10.12	-53.95
O=C([O-])C1CC12CC([NH2+]CC1=CN(C3CCOCC3)N=C1)C2	REAL300012048682	0	45	0.0	-66.70	354.54	7.13	-59.57
CC1=NN(C2CCOCC2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048683	0	48	0.0	-65.51	374.92	7.66	-57.85
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=CC3=CC=CN=C31)C2	REAL300012048684	0	39	0.0	-58.99	340.17	9.60	-49.39
NS(=O)(=O)C1=CSC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048685	0	36	0.0	-70.07	324.89	2.48	-67.59
O=C([O-])C1CC12CC([NH2+]CC1=NC=C(Cl)C=C1Cl)C2	REAL300012048686	0	33	0.0	-57.38	302.92	7.51	-49.87
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C(=O)N3CCOCC3)C=C1)C2	REAL300012048687	0	49	0.0	-77.25	385.14	8.01	-69.24
CC1=NN(C2CCCC2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048688	0	47	0.0	-64.24	365.15	9.45	-54.79
CC1=CC(Br)=C(F)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048689	0	37	0.0	-64.16	325.62	9.79	-54.37
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C(Cl)=C1F)C2	REAL300012048690	0	34	0.0	-67.79	319.13	9.60	-58.19
COC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1Br	REAL300012048691	0	38	0.0	-59.85	321.91	8.33	-51.52
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Cl)C(F)=C1F)C2	REAL300012048692	0	34	0.0	-69.14	306.02	9.10	-60.04
CN1C=C(C2=CC=CC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=C2)C=N1	REAL300012048693	0	44	0.0	-69.94	358.81	9.79	-60.15
COC1=CC(F)=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1Br	REAL300012048694	0	38	0.0	-63.38	334.55	8.46	-54.92
O=C([O-])C1CC12CC([NH2+]CC1=CC=C([N+](=O)[O-])C(OC3CC3)=C1)C2	REAL300012048695	0	44	0.0	-86.91	365.26	10.90	-76.01
CC1=CC=C(Br)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048696	0	37	0.0	-63.47	315.22	9.71	-53.76
COC1=NC2=CC=C(C[NH2+]C3CC4(CC4C(=O)[O-])C3)C=C2S1	REAL300012048697	0	40	0.0	-73.94	343.10	6.31	-67.63
O=C([O-])C1CC12CC([NH2+]CC1=CC=NC(Br)=C1)C2	REAL300012048698	0	33	0.0	-73.91	295.03	7.22	-66.69
O=C([O-])C1CC12CC([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C2	REAL300012048699	0	34	0.0	-61.90	313.34	9.45	-52.45
CC(C)(C)COC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048700	0	50	0.0	-65.13	390.48	10.83	-54.30
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=CC(Cl)=C1F)C2	REAL300012048701	0	34	0.0	-63.14	322.13	9.60	-53.54
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C2	REAL300012048702	0	37	0.0	-67.14	330.66	9.83	-57.31
CN1N=CC=C1C1=NNC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048703	0	41	0.0	-64.86	341.42	6.12	-58.74
COC(=O)C1=C(C)NC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1C	REAL300012048704	0	44	0.0	-70.84	361.76	8.23	-62.61
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+]C3CC4(CC4C(=O)[O-])C3)=CC=C2C1	REAL300012048705	0	58	0.0	-71.17	444.59	11.68	-59.49
CC1=CC(Br)=CC(C)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048706	0	40	0.0	-65.39	335.99	10.25	-55.14
O=C([O-])C1CC12CC([NH2+]CC1=C(O)C=CC(F)=C1Br)C2	REAL300012048707	0	35	0.0	-63.59	312.64	6.21	-57.38
O=C([O-])C1CC12CC([NH2+]CC1=C(Cl)C=CC3=C1OCO3)C2	REAL300012048708	0	37	0.0	-59.63	319.17	7.53	-52.10
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3CCCCC3)C=C1)C2	REAL300012048709	0	50	0.0	-64.04	380.84	12.31	-51.73
CC1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)SC(Br)=C1	REAL300012048710	0	34	0.0	-63.44	309.50	8.89	-54.55
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=CC=N3)N=C1)C2	REAL300012048711	0	42	0.0	-73.40	347.88	8.83	-64.57
CCCN1N=C(C)C(Cl)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048712	0	43	0.0	-65.41	361.46	8.75	-56.66
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048713	0	46	0.0	-68.63	377.23	10.57	-58.06
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048714	0	41	0.0	-69.39	340.37	7.68	-61.71
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(CC3=CC=CC=C3)C=C1)C2	REAL300012048715	0	47	0.0	-65.48	381.78	12.96	-52.52
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1Br)C2	REAL300012048716	0	34	0.0	-60.41	326.90	9.97	-50.44
CCCCC(=O)NC1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=C1	REAL300012048717	0	50	0.0	-70.50	399.14	9.74	-60.76
O=C([O-])C1CC12CC([NH2+]CC1=CSC(Br)=C1Br)C2	REAL300012048718	0	31	0.0	-60.29	307.82	8.67	-51.62
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(Br)=C1Br)C2	REAL300012048719	0	34	0.0	-57.49	311.49	9.57	-47.92
CCN(C)C1=CC=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C(C)=C1	REAL300012048720	0	48	0.0	-58.52	365.15	10.40	-48.12
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=CN=C1Br)C2	REAL300012048721	0	33	0.0	-62.78	306.41	7.67	-55.11
O=C([O-])C1CC12CC([NH2+]CC1=C(Cl)C(Cl)=CS1)C2	REAL300012048722	0	31	0.0	-61.15	300.54	8.51	-52.64
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048723	0	55	0.0	-61.56	408.87	10.69	-50.87
COC1=CC(C)=CC(OC)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048724	0	45	0.0	-56.67	359.73	7.94	-48.73
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C2	REAL300012048725	0	38	0.0	-73.16	340.72	8.84	-64.32
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(C3CC(F)(F)C3(F)F)=C1)C2	REAL300012048726	0	44	0.0	-71.00	367.27	11.31	-59.69
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C3=CC=NC=C3)C=C1)C2	REAL300012048727	0	43	0.0	-70.18	348.89	10.15	-60.03
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1	REAL300012048728	0	56	0.0	-68.06	437.58	13.40	-54.66
CC1=CC=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1C(F)(F)F	REAL300012048729	0	40	0.0	-68.44	323.98	10.08	-58.36
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(C(F)(F)F)C=C1Br)C2	REAL300012048730	0	37	0.0	-62.41	334.11	10.02	-52.39
O=C([O-])C1CC12CC([NH2+]CC1=CC3=NC=C(Br)C=C3O1)C2	REAL300012048731	0	36	0.0	-59.38	322.56	7.81	-51.57
O=C([O-])C1CC12CC([NH2+]CC1=C3SC(C(F)F)=NC3=CC=C1)C2	REAL300012048732	0	39	0.0	-64.90	344.83	8.83	-56.07
O=C([O-])C1CC12CC([NH2+]CC1=CC3=C(CCOC3)N=C1Cl)C2	REAL300012048733	0	41	0.0	-65.91	340.01	7.12	-58.79
O=C([O-])C1CC12CC([NH2+]CC1=CC3=CC(Br)=CC=C3S1)C2	REAL300012048734	0	37	0.0	-65.38	337.74	10.63	-54.75
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048735	0	47	0.0	-64.58	377.68	10.98	-53.60
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(Br)C=C1Br)C2	REAL300012048736	0	34	0.0	-60.27	316.66	9.63	-50.64
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=CC(F)=C1F)C2	REAL300012048737	0	34	0.0	-63.81	312.25	9.18	-54.63
O=C([O-])C1CC12CC([NH2+]CC1=CC(Cl)=C(Br)C=C1F)C2	REAL300012048738	0	34	0.0	-61.93	317.74	9.55	-52.38
O=C([O-])C1CC12CC([NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C2	REAL300012048739	0	36	0.0	-79.25	328.20	9.78	-69.47
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048740	0	41	0.0	-66.84	338.27	10.36	-56.48
COC1=C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)C=CC(Br)=C1F	REAL300012048741	0	38	0.0	-64.39	336.50	8.63	-55.76
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C2	REAL300012048742	0	37	0.0	-64.95	322.57	9.49	-55.46
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048743	0	52	0.0	-63.75	404.26	10.12	-53.63
O=C([O-])C1CC12CC([NH2+]CC1=CC3=CC=CC=C3C(Br)=C1)C2	REAL300012048744	0	40	0.0	-70.86	343.24	11.26	-59.60
COC1=C2C=CNC2=CC=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048745	0	42	0.0	-59.57	340.59	7.95	-51.62
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(N3CCC(O)C3)C=C1)C2	REAL300012048746	0	47	0.0	-63.93	365.38	5.47	-58.46
O=C([O-])C1CC12CC([NH2+]CC1=CC=C(CN3C=C(Br)C=N3)C=C1)C2	REAL300012048747	0	44	0.0	-66.46	383.26	10.72	-55.74
O=C([O-])C1CC12CC([NH2+]CC1=C(F)C=C(I)C=C1F)C2	REAL300012048748	0	34	0.0	-61.91	320.41	9.71	-52.20
COC1=CC=C(OC)C(OC)=C1C[NH2+]C1CC2(CC2C(=O)[O-])C1	REAL300012048749	0	46	0.0	-59.17	367.46	7.13	-52.04
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1)C2	REAL300012048750	0	51	0.0	-62.16	390.45	10.38	-51.78
O=C([O-])C1CC12CC([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F)C2	REAL300012048751	0	48	0.0	-60.84	392.71	12.00	-48.84
CC1=CC(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=CN=C1N1C=CC=N1	REAL300012048752	0	43	0.0	-71.75	350.68	9.81	-61.94
COC1=CC=C(Br)C(C[NH2+]C2CC3(CC3C(=O)[O-])C2)=C1O	REAL300012048753	0	39	0.0	-61.02	336.15	6.14	-54.88
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012048754	0	38	0.0	-33.72	327.44	8.93	-24.79
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012048755	0	51	0.0	-32.66	426.83	11.74	-20.92
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012048756	0	45	0.0	-27.99	362.52	10.90	-17.09
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012048757	0	30	0.0	-31.50	288.77	7.47	-24.03
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012048758	0	43	0.0	-29.72	363.47	10.36	-19.36
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012048759	0	41	0.0	-32.97	353.50	8.01	-24.96
CCOC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OC	REAL300012048760	0	44	0.0	-31.28	366.92	8.69	-22.59
CCCCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012048761	0	49	0.0	-29.06	402.17	11.16	-17.90
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012048762	0	42	0.0	-32.91	373.46	11.09	-21.82
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012048763	0	42	0.0	-37.16	374.75	11.17	-25.99
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1Br	REAL300012048764	0	37	0.0	-29.44	336.24	8.53	-20.91
CCCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC	REAL300012048765	0	50	0.0	-31.08	409.92	10.27	-20.81
CCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC	REAL300012048766	0	47	0.0	-31.05	388.42	9.49	-21.56
C=CCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC	REAL300012048767	0	45	0.0	-30.87	378.50	9.23	-21.64
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC	REAL300012048768	0	56	0.0	-30.98	452.91	11.83	-19.15
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012048769	0	40	0.0	-31.72	361.97	10.97	-20.75
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012048770	0	40	0.0	-28.35	363.42	11.02	-17.33
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012048771	0	40	0.0	-27.59	369.59	11.83	-15.76
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012048772	0	43	0.0	-34.36	370.56	10.28	-24.08
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012048773	0	42	0.0	-34.44	370.68	11.75	-22.69
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012048774	0	39	0.0	-26.57	357.59	9.43	-17.14
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012048775	0	37	0.0	-31.20	342.71	10.04	-21.16
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(Cl)=C1	REAL300012048776	0	37	0.0	-29.57	324.94	8.19	-21.38
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012048777	0	37	0.0	-30.89	332.31	8.37	-22.52
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012048778	0	42	0.0	-32.68	381.04	11.98	-20.70
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012048779	0	42	0.0	-29.68	377.87	11.88	-17.80
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012048780	0	36	0.0	-27.69	320.37	9.86	-17.83
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012048781	0	39	0.0	-29.67	332.38	9.10	-20.57
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])O2)C=C1	REAL300012048782	0	43	0.0	-26.87	366.67	11.09	-15.78
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012048783	0	48	0.0	-32.11	392.49	9.10	-23.01
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012048784	0	30	0.0	-26.97	293.58	8.30	-18.67
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012048785	0	40	0.0	-28.56	360.59	11.42	-17.14
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012048786	0	38	0.0	-25.19	324.79	9.09	-16.10
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012048787	0	40	0.0	-35.40	344.67	9.81	-25.59
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012048788	0	39	0.0	-36.87	338.29	11.09	-25.78
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012048789	0	40	0.0	-27.63	371.08	11.87	-15.76
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012048790	0	50	0.0	-33.83	420.39	9.93	-23.90
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012048791	0	40	0.0	-28.36	363.52	11.53	-16.83
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012048792	0	36	0.0	-26.62	336.93	10.04	-16.58
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012048793	0	33	0.0	-29.86	304.53	9.07	-20.79
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012048794	0	33	0.0	-29.48	307.59	9.09	-20.39
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012048795	0	36	0.0	-30.32	328.48	9.55	-20.77
CCOC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012048796	0	40	0.0	-27.90	337.68	8.80	-19.10
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012048797	0	33	0.0	-25.09	315.74	9.56	-15.53
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012048798	0	33	0.0	-33.00	304.00	8.75	-24.25
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012048799	0	36	0.0	-31.30	331.46	9.67	-21.63
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012048800	0	36	0.0	-27.38	328.28	9.57	-17.81
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(Cl)=C1OC	REAL300012048801	0	41	0.0	-26.03	359.59	8.34	-17.69
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012048802	0	36	0.0	-27.21	323.73	10.11	-17.10
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012048803	0	33	0.0	-30.03	308.91	9.14	-20.89
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012048804	0	40	0.0	-27.93	370.91	11.86	-16.07
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=C2)=C1	REAL300012048805	0	48	0.0	-33.59	418.45	12.23	-21.36
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012048806	0	44	0.0	-33.00	385.17	9.11	-23.89
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012048807	0	46	0.0	-32.50	392.46	10.08	-22.42
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012048808	0	39	0.0	-30.45	349.01	8.31	-22.14
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012048809	0	43	0.0	-37.19	384.52	10.73	-26.46
COCCOC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012048810	0	44	0.0	-29.20	369.98	8.03	-21.17
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1Cl	REAL300012048811	0	37	0.0	-29.63	331.85	8.42	-21.21
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012048812	0	38	0.0	-37.88	346.58	7.53	-30.35
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=N1	REAL300012048813	0	49	0.0	-38.85	404.43	8.50	-30.35
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012048814	0	40	0.0	-30.19	357.25	9.26	-20.93
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012048815	0	39	0.0	-30.04	327.95	7.74	-22.30
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012048816	0	42	0.0	-32.95	344.84	8.55	-24.40
CCCOC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012048817	0	43	0.0	-27.64	359.18	9.60	-18.04
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012048818	0	40	0.0	-27.75	351.06	11.11	-16.64
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012048819	0	47	0.0	-27.10	379.08	10.73	-16.37
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012048820	0	43	0.0	-27.88	353.44	9.34	-18.54
CC1=CC=C(C2=NC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CS2)C=C1	REAL300012048821	1	42	0.0	-25.15	371.26	9.99	-15.16
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012048823	0	47	0.0	-28.99	399.99	11.98	-17.01
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012048824	0	43	0.0	-26.86	382.77	8.87	-17.99
CC1=CC=C(OCC2=NC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CS2)C=C1	REAL300012048825	0	46	0.0	-26.82	404.18	9.55	-17.27
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012048827	0	36	0.0	-31.36	340.88	8.29	-23.07
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012048828	0	40	0.0	-28.54	360.59	11.42	-17.12
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])S2)C=C1	REAL300012048829	0	43	0.0	-27.04	374.26	11.99	-15.05
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012048830	0	37	0.0	-26.69	347.27	8.97	-17.72
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012048831	0	33	0.0	-24.52	318.99	9.62	-14.90
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012048832	0	33	0.0	-24.50	319.33	9.66	-14.84
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012048833	0	44	0.0	-30.67	387.84	11.56	-19.11
CCOC1=C(OC)C=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC	REAL300012048834	0	48	0.0	-32.09	397.92	8.55	-23.54
CC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CN=C1Cl	REAL300012048835	0	35	0.0	-32.28	315.50	7.79	-24.49
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012048836	0	53	0.0	-29.40	440.58	13.40	-16.00
CC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012048837	0	46	0.0	-31.61	387.32	10.20	-21.41
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])S2)C=C1	REAL300012048838	0	42	0.0	-29.16	372.76	10.27	-18.89
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012048839	0	38	0.0	-28.98	341.49	9.57	-19.41
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012048840	0	40	0.0	-34.20	361.05	10.66	-23.54
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])O1	REAL300012048841	0	43	0.0	-28.05	373.53	11.21	-16.84
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])O2)C=C1	REAL300012048842	0	46	0.0	-27.21	389.47	11.90	-15.31
COC1=CC=C2OC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CC2=C1	REAL300012048843	0	40	0.0	-29.41	343.69	8.38	-21.03
O=C([O-])C(CC1=CSC=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012048844	0	37	0.0	-30.93	332.77	10.35	-20.58
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012048845	0	36	0.0	-31.30	314.24	8.94	-22.36
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012048846	1	41	0.0	-28.61	353.10	10.33	-18.28
CC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1Br	REAL300012048847	0	36	0.0	-30.59	325.82	9.76	-20.83
O=C([O-])C(CC1=CSC=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012048848	0	37	0.0	-36.11	329.30	10.00	-26.11
CC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1Br	REAL300012048849	0	36	0.0	-29.22	325.82	9.76	-19.46
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012048851	0	30	0.0	-24.30	290.57	8.11	-16.19
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012048852	0	38	0.0	-26.51	338.81	8.95	-17.56
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012048853	0	37	0.0	-29.22	323.41	8.55	-20.67
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012048854	0	37	0.0	-30.65	324.63	8.58	-22.07
CCOC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=N1	REAL300012048855	0	39	0.0	-32.07	334.02	6.15	-25.92
CC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012048856	0	41	0.0	-30.53	346.26	9.76	-20.77
CC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1Cl	REAL300012048857	0	36	0.0	-28.29	319.63	9.59	-18.70
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012048858	0	35	0.0	-31.17	318.19	8.05	-23.12
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])O2)C=C1	REAL300012048859	0	52	0.0	-27.03	422.70	12.78	-14.25
CCCC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012048860	0	42	0.0	-27.24	349.39	10.74	-16.50
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012048861	0	51	0.0	-29.53	421.13	13.38	-16.15
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1F	REAL300012048862	0	47	0.0	-29.19	385.59	9.63	-19.56
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C(SC)C=C1OC	REAL300012048863	0	45	0.0	-29.34	376.46	8.58	-20.76
COC1=CC=C2N=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])SC2=C1	REAL300012048864	1	39	0.0	-27.80	346.65	7.38	-20.42
CN1C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=NC2=CC=C(Cl)C=C21	REAL300012048865	0	39	0.0	-25.95	349.45	9.47	-16.48
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1C#N	REAL300012048866	0	38	0.0	-33.86	334.71	8.24	-25.62
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012048867	0	37	0.0	-30.52	333.98	9.76	-20.76
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012048868	0	37	0.0	-32.27	331.80	8.22	-24.05
CCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])N=C1	REAL300012048869	0	39	0.0	-31.63	331.41	6.93	-24.70
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012048870	0	39	0.0	-28.14	338.86	10.21	-17.93
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012048871	0	41	0.0	-32.28	363.70	8.40	-23.88
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OCC(C)C	REAL300012048872	0	50	0.0	-30.86	408.52	10.17	-20.69
CCCOC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OC	REAL300012048873	0	47	0.0	-30.45	387.10	9.45	-21.00
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Br)S1	REAL300012048874	0	30	0.0	-26.40	296.90	8.35	-18.05
CCOC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012048875	0	44	0.0	-32.54	386.88	9.36	-23.18
C=CCOC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012048876	0	41	0.0	-27.94	350.58	9.38	-18.56
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC	REAL300012048877	0	44	0.0	-32.67	386.88	9.40	-23.27
CCCCOC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OC	REAL300012048878	0	50	0.0	-32.02	409.92	10.27	-21.75
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OCC	REAL300012048879	0	50	0.0	-32.31	430.23	11.12	-21.19
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC(F)F	REAL300012048880	0	41	0.0	-35.21	354.82	8.06	-27.15
CCOC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012048881	0	44	0.0	-32.71	375.36	8.93	-23.78
CC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012048882	0	43	0.0	-31.03	363.63	9.56	-21.47
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012048883	0	43	0.0	-33.19	357.86	7.52	-25.67
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012048884	1	42	0.0	-30.36	379.50	9.96	-20.40
CC1=CC(C)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1C	REAL300012048885	0	42	0.0	-26.07	336.22	10.29	-15.78
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012048886	0	40	0.0	-27.62	354.19	11.35	-16.27
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC	REAL300012048887	0	47	0.0	-32.00	407.06	10.16	-21.84
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012048888	0	40	0.0	-31.36	359.97	10.60	-20.76
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012048889	0	45	0.0	-31.30	364.01	11.45	-19.85
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=CSC=C1)C(=O)[O-])=N2	REAL300012048890	1	45	0.0	-24.45	369.23	9.23	-15.22
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CC2=C1	REAL300012048891	0	42	0.0	-27.60	352.52	10.30	-17.30
CCCC1CCC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012048892	0	48	0.0	-28.87	365.73	10.83	-18.04
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012048893	0	40	0.0	-33.71	340.12	10.88	-22.83
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012048894	0	40	0.0	-28.82	353.66	10.54	-18.28
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012048895	0	39	0.0	-30.69	344.63	8.19	-22.50
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012048896	0	46	0.0	-35.61	391.07	13.16	-22.45
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012048897	0	42	0.0	-32.36	363.04	8.97	-23.39
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012048898	0	40	0.0	-28.72	335.87	8.60	-20.12
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1F	REAL300012048899	0	37	0.0	-30.22	320.73	7.90	-22.32
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012048900	0	42	0.0	-32.03	337.69	9.61	-22.42
CC(C)C1CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])CCO1	REAL300012048901	0	46	0.0	-29.92	357.45	8.65	-21.27
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012048902	0	40	0.0	-33.39	363.47	9.34	-24.05
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012048903	0	39	0.0	-28.37	361.44	9.13	-19.24
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012048904	0	39	0.0	-36.63	360.49	8.97	-27.66
CCSC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012048905	0	40	0.0	-27.47	348.00	10.43	-17.04
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012048906	1	34	0.0	-25.34	316.17	6.29	-19.05
CCN1N=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012048907	1	42	0.0	-31.01	358.08	9.39	-21.62
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012048908	0	30	0.0	-28.50	314.07	8.87	-19.63
CCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012048909	0	43	0.0	-28.15	357.01	9.52	-18.63
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012048910	0	40	0.0	-28.86	378.47	11.42	-17.44
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012048911	0	36	0.0	-27.79	314.22	9.10	-18.69
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012048912	0	40	0.0	-32.19	346.57	10.49	-21.70
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012048913	0	47	0.0	-31.05	384.84	9.31	-21.74
CCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OCC	REAL300012048914	0	50	0.0	-30.85	410.27	10.41	-20.44
CC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012048915	0	38	0.0	-31.23	331.87	9.83	-21.40
CC(C)OC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012048916	0	43	0.0	-28.95	355.60	9.46	-19.49
CCCCCCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012048917	0	55	0.0	-28.07	443.01	12.64	-15.43
CC(C[NH2+]C(CC1=CSC=C1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012048918	0	54	0.0	-30.09	419.29	12.94	-17.15
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012048919	0	37	0.0	-27.47	315.53	8.53	-18.94
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C(Br)C=CS1	REAL300012048920	0	30	0.0	-26.92	296.01	8.22	-18.70
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012048921	0	33	0.0	-24.53	307.68	9.17	-15.36
CC(C)CC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012048922	0	45	0.0	-27.01	365.31	11.18	-15.83
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=C2)C=C1	REAL300012048923	0	46	0.0	-29.41	379.78	12.58	-16.83
COC1=CC=C(Br)C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012048924	0	37	0.0	-25.88	325.94	8.34	-17.54
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012048925	0	39	0.0	-42.00	339.69	9.23	-32.77
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012048926	0	33	0.0	-28.71	318.46	9.54	-19.17
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012048927	0	33	0.0	-29.54	309.46	9.19	-20.35
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012048928	0	30	0.0	-29.82	288.78	7.38	-22.44
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012048929	0	46	0.0	-30.79	382.37	12.65	-18.14
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012048930	0	39	0.0	-31.78	364.11	10.57	-21.21
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012048931	0	37	0.0	-30.55	325.58	8.15	-22.40
CCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OCC	REAL300012048932	0	47	0.0	-31.14	388.77	9.61	-21.53
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012048933	0	33	0.0	-31.50	307.31	9.08	-22.42
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012048934	0	36	0.0	-30.47	338.21	9.98	-20.49
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012048935	0	33	0.0	-29.07	306.40	9.14	-19.93
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012048936	0	37	0.0	-28.67	332.32	8.37	-20.30
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012048937	0	33	0.0	-25.72	307.29	9.11	-16.61
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012048938	0	47	0.0	-31.25	394.52	11.64	-19.61
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012048939	0	43	0.0	-29.06	385.62	11.47	-17.59
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012048940	0	33	0.0	-33.52	306.79	9.05	-24.47
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012048941	1	39	0.0	-26.25	332.73	8.96	-17.29
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(Br)=C1O	REAL300012048942	0	38	0.0	-26.52	341.90	6.31	-20.21
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012048943	0	38	0.0	-30.35	320.89	8.37	-21.98
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC(Br)=C1	REAL300012048944	0	30	0.0	-30.06	297.99	8.28	-21.78
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012048945	0	50	0.0	-34.26	420.35	9.92	-24.34
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012048946	0	43	0.0	-30.23	360.54	12.01	-18.22
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012048947	0	44	0.0	-31.34	360.24	8.48	-22.86
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012048948	0	37	0.0	-28.97	317.37	8.59	-20.38
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012048949	0	33	0.0	-30.02	313.33	9.24	-20.78
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012048950	0	42	0.0	-28.82	357.98	10.46	-18.36
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012048951	0	42	0.0	-30.74	355.55	10.21	-20.53
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012048952	0	42	0.0	-31.87	354.42	10.22	-21.65
CN1CCN(C2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=C2)CC1	REAL300012048953	1	50	0.0	-28.99	395.53	7.31	-21.68
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012048954	0	42	0.0	-31.90	365.50	6.99	-24.91
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012048955	0	40	0.0	-38.05	342.79	6.89	-31.16
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012048956	0	40	0.0	-31.49	351.56	9.85	-21.64
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012048957	0	40	0.0	-30.14	359.72	10.23	-19.91
CC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012048958	0	52	0.0	-31.54	432.15	11.66	-19.88
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012048959	0	40	0.0	-31.37	357.24	9.26	-22.11
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012048960	0	39	0.0	-29.56	332.43	10.82	-18.74
COC1=C2OC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CC2=CC=C1	REAL300012048961	0	40	0.0	-28.58	342.39	8.35	-20.23
CC(C)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012048962	0	44	0.0	-39.19	371.36	11.07	-28.12
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012048963	0	36	0.0	-32.64	333.68	7.85	-24.79
CCOC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OCC(C)C	REAL300012048964	0	53	0.0	-30.23	429.06	11.05	-19.18
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012048965	0	33	0.0	-25.66	311.86	9.21	-16.45
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012048966	0	33	0.0	-31.40	311.88	9.18	-22.22
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC(OC)=C1	REAL300012048967	0	41	0.0	-30.19	345.32	7.18	-23.01
COC1=CC2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=C2C=C1	REAL300012048968	0	43	0.0	-29.96	360.48	10.12	-19.84
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Br)=CS1	REAL300012048970	0	30	0.0	-27.62	296.71	8.26	-19.36
CCCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OCC	REAL300012048971	0	53	0.0	-30.89	431.77	11.19	-19.70
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012048972	1	37	0.0	-32.80	346.85	9.18	-23.62
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012048973	0	39	0.0	-26.91	335.37	7.58	-19.33
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012048975	0	33	0.0	-29.32	312.01	9.19	-20.13
CC1=CC=C(COC2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=C2)C=C1	REAL300012048976	0	50	0.0	-30.49	418.99	12.53	-17.96
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012048977	0	48	0.0	-27.94	377.93	9.85	-18.09
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012048978	0	52	0.0	-27.60	423.67	11.94	-15.66
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1SC	REAL300012048979	0	41	0.0	-30.45	353.91	8.88	-21.57
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012048980	0	44	0.0	-34.93	378.71	10.07	-24.86
CCCCCOC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OC	REAL300012048981	0	53	0.0	-31.89	431.41	11.05	-20.84
CCC(C)OC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OC	REAL300012048982	0	50	0.0	-31.60	405.60	10.10	-21.50
CCCCCCCOC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012048983	0	55	0.0	-26.98	443.85	12.68	-14.30
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OCCCC#N	REAL300012048984	0	48	0.0	-36.50	407.11	9.93	-26.57
C=C(C)COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OC	REAL300012048985	0	48	0.0	-31.65	399.24	10.05	-21.60
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OCCC(C)C	REAL300012048986	0	53	0.0	-30.94	427.48	10.79	-20.15
C=CCC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC(OC)=C1O	REAL300012048987	0	45	0.0	-31.02	381.19	7.72	-23.30
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012048988	0	40	0.0	-30.93	344.40	8.45	-22.48
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012048990	1	39	0.0	-26.65	349.47	9.37	-17.28
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012048991	0	46	0.0	-30.63	380.37	7.71	-22.92
CN1C=NC2=CC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CC=C21	REAL300012048992	0	39	0.0	-31.04	333.39	9.88	-21.16
C=CCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1Cl	REAL300012048993	0	41	0.0	-29.53	366.61	9.93	-19.60
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012048994	0	39	0.0	-28.83	350.04	9.55	-19.28
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012048995	0	45	0.0	-30.13	371.42	8.40	-21.73
CC1(C)CC2=CC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CC=C2O1	REAL300012048996	0	44	0.0	-30.57	363.74	9.86	-20.71
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012048998	0	36	0.0	-33.24	342.79	8.43	-24.81
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012048999	0	36	0.0	-30.83	341.78	10.10	-20.73
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012049000	0	33	0.0	-29.24	319.43	9.62	-19.62
CC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(Br)=C1	REAL300012049001	0	36	0.0	-26.89	318.90	9.64	-17.25
CC(C)COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049002	0	46	0.0	-28.00	377.12	10.22	-17.78
COCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049003	0	44	0.0	-30.37	369.14	7.99	-22.38
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049004	0	48	0.0	-32.10	415.07	12.27	-19.83
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012049005	0	37	0.0	-30.91	340.28	8.65	-22.26
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012049006	0	41	0.0	-31.38	379.39	10.03	-21.35
COC1=CC2=C(C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-])OCO2	REAL300012049007	0	40	0.0	-30.28	339.18	6.55	-23.73
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049008	0	46	0.0	-26.93	377.96	10.25	-16.68
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049009	0	36	0.0	-27.01	316.51	9.70	-17.31
O=C([O-])C(CC1=CSC=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012049010	0	37	0.0	-32.28	323.77	9.93	-22.35
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012049011	0	32	0.0	-29.59	301.19	7.38	-22.21
CN1N=NC2=CC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CC=C21	REAL300012049012	0	38	0.0	-32.86	328.99	6.98	-25.88
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=C2O1	REAL300012049013	0	44	0.0	-24.55	361.47	9.74	-14.81
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012049014	0	38	0.0	-26.51	343.37	9.06	-17.45
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012049015	0	40	0.0	-36.99	344.74	9.77	-27.22
CC1=C(Br)SC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049016	0	33	0.0	-26.20	316.52	8.97	-17.23
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012049017	0	38	0.0	-30.49	343.30	9.58	-20.91
CC1=NC2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=C2C=C1	REAL300012049018	0	41	0.0	-31.59	349.04	9.57	-22.02
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=C2)C=C1	REAL300012049019	0	48	0.0	-31.03	402.38	10.64	-20.39
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=C2)=C1	REAL300012049020	0	49	0.0	-29.14	401.18	13.23	-15.91
CC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012049021	0	42	0.0	-36.87	355.24	12.02	-24.85
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012049022	0	36	0.0	-28.15	319.31	9.12	-19.03
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012049023	0	40	0.0	-32.15	348.53	9.04	-23.11
COCC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049024	0	40	0.0	-28.74	340.06	8.25	-20.49
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049025	0	43	0.0	-31.49	379.45	10.83	-20.66
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012049026	0	47	0.0	-30.26	404.00	11.92	-18.34
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012049027	0	44	0.0	-31.29	386.91	12.67	-18.62
COC1=CC(C)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC	REAL300012049028	0	44	0.0	-28.94	354.86	8.21	-20.73
CN1C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300012049029	0	39	0.0	-35.24	349.06	9.44	-25.80
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049030	0	37	0.0	-28.15	341.88	10.09	-18.06
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012049031	0	43	0.0	-31.55	376.97	10.31	-21.24
CC1CCC2=C(C1)SC(C[NH2+]C(CC1=CSC=C1)C(=O)[O-])=N2	REAL300012049032	1	42	0.0	-24.60	354.32	8.92	-15.68
CC(C)(C)C1CCC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012049033	0	51	0.0	-28.20	369.11	10.68	-17.52
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049034	0	47	0.0	-30.55	388.59	11.36	-19.19
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049035	0	46	0.0	-32.32	383.78	9.60	-22.72
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012049036	0	44	0.0	-30.05	369.35	10.38	-19.67
COC1=CC(Cl)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1Cl	REAL300012049037	0	37	0.0	-28.32	343.57	8.85	-19.47
CC(C)CC1=NC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])S1	REAL300012049038	0	41	0.0	-28.12	351.42	8.49	-19.63
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012049039	0	36	0.0	-28.62	343.23	8.67	-19.95
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012049040	0	36	0.0	-29.02	342.48	8.54	-20.48
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])S2)O1	REAL300012049041	0	39	0.0	-29.65	356.06	8.50	-21.15
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049042	0	36	0.0	-26.99	321.07	9.80	-17.19
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012049043	0	33	0.0	-28.63	321.13	9.60	-19.03
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012049044	0	42	0.0	-35.37	361.29	10.25	-25.12
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012049045	0	36	0.0	-28.12	330.44	9.52	-18.60
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012049046	0	33	0.0	-28.46	316.73	9.58	-18.88
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049047	0	37	0.0	-29.65	336.31	8.63	-21.02
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012049048	1	36	0.0	-25.40	315.63	7.73	-17.67
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012049049	0	40	0.0	-32.14	351.65	10.52	-21.62
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])S1	REAL300012049050	0	41	0.0	-28.47	353.16	8.39	-20.08
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012049051	0	39	0.0	-32.51	330.82	7.73	-24.78
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012049052	0	33	0.0	-27.23	306.29	9.14	-18.09
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012049053	0	40	0.0	-33.56	345.15	9.78	-23.78
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012049054	0	43	0.0	-35.35	381.86	10.71	-24.64
CC(C)(C)N1C=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=N1	REAL300012049055	0	42	0.0	-31.81	349.08	8.43	-23.38
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049056	0	40	0.0	-36.71	341.35	7.46	-29.25
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012049057	0	35	0.0	-32.49	314.53	9.24	-23.25
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012049058	0	35	0.0	-35.80	314.53	9.24	-26.56
CN(C)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049059	0	41	0.0	-28.68	337.82	8.98	-19.70
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049060	0	47	0.0	-27.22	379.29	10.80	-16.42
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012049061	0	33	0.0	-28.71	306.29	9.19	-19.52
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC(OC)=C1OC	REAL300012049062	0	45	0.0	-33.03	378.22	7.69	-25.34
COC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1OC	REAL300012049063	0	41	0.0	-29.40	343.78	7.79	-21.61
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012049064	0	33	0.0	-29.25	314.86	9.52	-19.73
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012049065	0	46	0.0	-29.11	368.17	7.33	-21.78
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC	REAL300012049066	0	41	0.0	-30.97	343.75	7.73	-23.24
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(OC)=C1	REAL300012049067	0	41	0.0	-30.73	343.95	7.23	-23.50
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012049068	0	36	0.0	-30.15	323.73	9.57	-20.58
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012049069	0	33	0.0	-31.09	313.34	9.45	-21.64
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012049070	0	33	0.0	-28.75	316.92	9.50	-19.25
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049071	0	54	0.0	-28.31	434.22	13.62	-14.69
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012049072	0	37	0.0	-31.46	323.42	8.08	-23.38
CCCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049073	0	46	0.0	-28.25	378.51	10.30	-17.95
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049074	0	49	0.0	-28.12	396.08	10.82	-17.30
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049075	0	52	0.0	-29.05	423.66	11.94	-17.11
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012049076	0	44	0.0	-28.50	375.01	11.42	-17.08
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049077	0	40	0.0	-29.84	334.50	10.39	-19.45
CCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC	REAL300012049078	0	44	0.0	-30.82	365.60	8.65	-22.17
CC(C)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049079	0	42	0.0	-27.01	344.38	10.42	-16.59
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012049080	0	36	0.0	-28.84	325.05	9.56	-19.28
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(OC)=C1OC	REAL300012049081	0	45	0.0	-32.17	378.21	7.78	-24.39
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012049082	0	51	0.0	-32.57	426.83	11.74	-20.83
CCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049083	0	40	0.0	-29.29	337.67	8.80	-20.49
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049084	0	37	0.0	-28.20	335.76	8.55	-19.65
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC(Br)=C1O	REAL300012049085	0	38	0.0	-32.09	345.66	6.34	-25.75
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012049086	0	43	0.0	-29.09	358.37	11.91	-17.18
CSC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049087	0	37	0.0	-29.15	326.53	9.60	-19.55
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049088	0	45	0.0	-31.70	373.13	7.14	-24.56
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012049089	0	47	0.0	-29.00	397.58	11.85	-17.15
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC=C1Br	REAL300012049090	0	33	0.0	-26.65	296.52	9.04	-17.61
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1O	REAL300012049091	0	38	0.0	-30.47	326.58	5.71	-24.76
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012049092	0	36	0.0	-32.41	328.53	7.74	-24.67
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC=C1I	REAL300012049093	0	33	0.0	-25.32	299.94	9.42	-15.90
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012049094	0	50	0.0	-39.67	407.17	11.74	-27.93
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049095	0	45	0.0	-33.52	378.34	10.35	-23.17
CCOC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1OC	REAL300012049096	0	44	0.0	-28.93	366.52	8.76	-20.17
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OCC(N)=O	REAL300012049097	0	45	0.0	-42.22	382.33	5.69	-36.53
CCNC(=O)COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC	REAL300012049098	0	51	0.0	-39.93	427.07	8.01	-31.92
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012049099	0	40	0.0	-34.91	341.90	6.51	-28.40
COC1=CC2=C(C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-])OC(C)C2	REAL300012049101	0	45	0.0	-28.86	371.45	8.54	-20.32
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012049102	0	49	0.0	-40.48	416.81	5.53	-34.95
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012049103	0	45	0.0	-39.78	402.29	6.37	-33.41
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CS1	REAL300012049104	0	42	0.0	-30.21	363.85	8.37	-21.84
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1C	REAL300012049105	0	40	0.0	-28.42	333.73	8.54	-19.88
COC1=CC=C(F)C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049106	0	37	0.0	-29.34	319.00	7.90	-21.44
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(I)=C1	REAL300012049107	0	33	0.0	-27.53	314.10	9.66	-17.87
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(I)C=C1	REAL300012049108	0	33	0.0	-28.57	312.77	9.67	-18.90
CSC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])S1	REAL300012049109	0	34	0.0	-27.30	319.84	8.90	-18.40
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012049110	0	36	0.0	-32.27	311.03	7.18	-25.09
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012049111	0	30	0.0	-27.66	291.85	8.12	-19.54
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049112	0	39	0.0	-36.25	345.69	6.09	-30.16
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012049113	0	43	0.0	-29.70	375.10	12.43	-17.27
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049114	0	37	0.0	-28.29	319.54	7.96	-20.33
NC(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049115	0	37	0.0	-37.93	320.86	5.39	-32.54
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1F	REAL300012049116	0	37	0.0	-31.58	320.73	7.89	-23.69
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049117	0	37	0.0	-28.38	331.19	8.45	-19.93
COC(=O)C1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CN1C	REAL300012049118	0	40	0.0	-31.03	345.75	8.76	-22.27
CC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1Cl	REAL300012049119	0	36	0.0	-30.57	321.78	9.68	-20.89
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1C	REAL300012049120	0	40	0.0	-29.61	335.90	8.62	-20.99
N#CC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(F)=C1	REAL300012049121	0	34	0.0	-36.70	312.72	8.98	-27.72
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012049122	0	46	0.0	-30.61	390.35	10.16	-20.45
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012049123	0	32	0.0	-25.70	302.63	7.34	-18.36
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012049124	0	42	0.0	-30.25	360.01	5.92	-24.33
C#CCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049125	0	42	0.0	-30.33	364.95	10.12	-20.21
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012049126	0	36	0.0	-27.55	311.99	9.03	-18.52
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=C12	REAL300012049127	0	41	0.0	-33.96	352.59	8.30	-25.66
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012049129	0	36	0.0	-26.92	330.03	9.58	-17.34
CCOCC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OC	REAL300012049130	0	47	0.0	-31.22	388.59	8.74	-22.48
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049131	0	37	0.0	-31.67	319.55	5.30	-26.37
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012049132	0	36	0.0	-35.66	322.19	8.05	-27.61
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012049133	0	42	0.0	-27.97	375.91	7.99	-19.98
COC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1F	REAL300012049134	0	37	0.0	-34.42	319.90	7.86	-26.56
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012049135	0	40	0.0	-27.20	330.51	10.48	-16.72
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC=C1Br	REAL300012049136	0	30	0.0	-27.88	294.11	8.08	-19.80
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012049137	1	39	0.0	-29.74	333.54	8.28	-21.46
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012049138	0	33	0.0	-29.56	314.03	9.29	-20.27
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012049139	0	38	0.0	-31.29	326.00	9.01	-22.28
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012049140	0	33	0.0	-31.35	305.72	9.10	-22.25
COC1=CC(F)=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049141	0	37	0.0	-29.39	320.92	7.90	-21.49
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012049142	0	33	0.0	-33.45	311.20	9.16	-24.29
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=N1	REAL300012049143	0	43	0.0	-30.81	357.94	8.56	-22.25
CS(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049144	0	38	0.0	-35.43	336.37	7.09	-28.34
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012049145	0	43	0.0	-27.34	347.70	11.02	-16.32
COC(=O)C1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CN1	REAL300012049146	0	37	0.0	-37.64	326.65	7.00	-30.64
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(C)=C1OC	REAL300012049147	0	44	0.0	-30.77	355.05	8.29	-22.48
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012049148	0	30	0.0	-30.74	307.31	8.58	-22.16
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049149	0	40	0.0	-29.00	335.90	8.60	-20.40
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012049150	0	32	0.0	-30.34	311.09	6.94	-23.40
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049151	0	39	0.0	-34.00	345.69	6.04	-27.96
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012049152	0	30	0.0	-27.73	292.12	8.15	-19.58
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012049153	0	46	0.0	-27.96	369.86	11.76	-16.20
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049154	0	36	0.0	-26.89	323.13	9.73	-17.16
COCC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049155	0	40	0.0	-30.06	341.38	8.30	-21.76
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012049156	0	40	0.0	-27.53	334.22	10.67	-16.86
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012049157	0	29	0.0	-29.65	286.87	6.29	-23.36
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012049158	0	36	0.0	-30.24	318.50	9.44	-20.80
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012049159	0	38	0.0	-31.50	328.31	8.26	-23.24
COCCN1C=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=N1	REAL300012049160	0	40	0.0	-30.24	344.34	6.33	-23.91
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012049161	0	43	0.0	-27.04	349.92	11.08	-15.96
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012049162	0	43	0.0	-30.22	359.48	10.14	-20.08
CCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1F	REAL300012049163	0	40	0.0	-30.09	342.58	8.83	-21.26
COC1=CC=CC2=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=CC=C12	REAL300012049164	0	43	0.0	-29.38	352.28	9.98	-19.40
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1C#N	REAL300012049165	0	38	0.0	-35.44	334.71	8.24	-27.20
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012049166	0	32	0.0	-26.26	310.35	6.88	-19.38
CC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1C#N	REAL300012049167	0	37	0.0	-32.87	324.17	9.39	-23.48
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(Br)=C1	REAL300012049168	0	37	0.0	-28.80	326.93	8.26	-20.54
CC(C)CN1C=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=N1	REAL300012049169	0	42	0.0	-29.07	347.52	8.83	-20.24
CC1=CC(Br)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])S1	REAL300012049170	0	33	0.0	-26.39	317.88	9.02	-17.37
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049171	0	48	0.0	-28.74	394.70	11.23	-17.51
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CC=C21	REAL300012049172	0	44	0.0	-35.04	360.89	9.46	-25.58
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012049173	0	39	0.0	-28.79	366.77	10.07	-18.72
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012049174	0	39	0.0	-32.63	355.87	9.83	-22.80
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049175	0	42	0.0	-27.78	347.68	8.34	-19.44
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012049176	0	38	0.0	-30.84	338.04	9.40	-21.44
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012049177	0	42	0.0	-28.54	358.23	9.24	-19.30
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012049178	0	39	0.0	-30.96	358.20	9.78	-21.18
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012049179	0	36	0.0	-28.18	322.94	8.16	-20.02
CC(C)C1=NC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])S1	REAL300012049180	0	38	0.0	-27.92	333.99	7.84	-20.08
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012049181	0	36	0.0	-30.07	334.12	7.67	-22.40
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012049182	0	33	0.0	-28.80	321.13	9.60	-19.20
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012049183	0	45	0.0	-29.45	394.60	11.04	-18.41
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=C2)C=N1	REAL300012049184	0	43	0.0	-34.05	366.44	9.90	-24.15
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012049185	0	36	0.0	-31.81	323.65	7.57	-24.24
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012049186	0	44	0.0	-32.01	381.43	11.53	-20.48
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])N1	REAL300012049187	0	41	0.0	-33.09	342.11	6.70	-26.39
NC(=O)C1=CSC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049188	0	34	0.0	-37.75	312.67	4.43	-33.32
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=N1	REAL300012049189	0	47	0.0	-33.99	394.68	11.00	-22.99
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012049190	0	39	0.0	-27.89	339.57	8.64	-19.25
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012049191	0	40	0.0	-32.02	350.41	6.78	-25.24
CN1N=C(Br)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049193	0	33	0.0	-28.86	308.65	6.68	-22.18
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])S2)C=N1	REAL300012049194	0	40	0.0	-31.23	360.29	9.26	-21.97
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012049195	0	45	0.0	-33.42	365.38	9.45	-23.97
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012049196	0	33	0.0	-31.50	315.61	9.49	-22.01
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012049197	0	33	0.0	-31.23	301.23	6.47	-24.76
CC(C)C1=CN=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])S1	REAL300012049198	1	38	0.0	-24.60	333.13	7.87	-16.73
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012049199	0	43	0.0	-34.19	382.54	10.78	-23.41
CC1=CC(Br)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1Cl	REAL300012049200	0	36	0.0	-25.07	331.97	10.12	-14.95
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012049201	0	43	0.0	-28.44	385.58	10.54	-17.90
CC(C)(C)C1=CN=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])S1	REAL300012049202	1	41	0.0	-25.03	352.66	8.39	-16.64
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049203	0	43	0.0	-34.90	364.36	9.07	-25.83
COCCOCC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049204	0	47	0.0	-31.34	394.70	8.46	-22.88
CC1=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012049206	0	39	0.0	-25.87	355.27	11.10	-14.77
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012049207	0	47	0.0	-38.03	409.75	11.02	-27.01
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012049208	0	40	0.0	-28.36	335.55	10.70	-17.66
N#CC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1F	REAL300012049209	0	34	0.0	-34.35	311.75	8.97	-25.38
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012049210	0	36	0.0	-34.81	324.60	7.63	-27.18
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049211	0	42	0.0	-27.11	340.25	8.49	-18.62
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012049212	0	32	0.0	-24.18	313.27	7.75	-16.43
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CN1	REAL300012049213	0	40	0.0	-35.63	342.05	7.53	-28.10
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])S2)C=C1C	REAL300012049214	0	45	0.0	-28.80	388.41	10.76	-18.04
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049215	0	43	0.0	-36.02	369.16	10.52	-25.50
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049216	0	43	0.0	-33.87	376.88	11.06	-22.81
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049217	0	46	0.0	-31.68	386.08	11.04	-20.64
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049218	0	43	0.0	-32.16	360.78	10.45	-21.71
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012049220	0	35	0.0	-28.75	307.62	7.32	-21.43
COC1=CC(OC)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1F	REAL300012049221	0	41	0.0	-29.74	348.81	7.30	-22.44
COC1=CC(F)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC	REAL300012049222	0	41	0.0	-27.72	349.55	7.81	-19.91
CC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(Cl)=C1	REAL300012049223	0	36	0.0	-27.60	316.91	9.57	-18.03
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049224	0	46	0.0	-31.41	384.26	10.98	-20.43
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(F)=C1	REAL300012049225	0	37	0.0	-33.21	321.39	7.88	-25.33
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012049226	0	40	0.0	-26.95	330.53	10.43	-16.52
CCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(C)=C1	REAL300012049227	0	46	0.0	-27.41	373.94	10.24	-17.17
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012049228	0	35	0.0	-29.38	318.47	8.32	-21.06
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012049229	0	36	0.0	-27.97	335.51	9.71	-18.26
CCC1=C2OC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CC2=CC=C1	REAL300012049230	0	42	0.0	-26.97	355.79	10.49	-16.48
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012049232	0	40	0.0	-26.97	337.98	8.51	-18.46
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012049233	0	41	0.0	-35.36	350.92	9.53	-25.83
CCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(C)=C1	REAL300012049234	0	43	0.0	-27.45	347.48	9.25	-18.20
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012049235	0	46	0.0	-27.37	369.22	11.77	-15.60
COCC1=CSC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049236	0	37	0.0	-28.06	330.52	7.36	-20.70
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012049238	0	39	0.0	-28.05	366.77	10.07	-17.98
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012049239	0	33	0.0	-28.58	315.62	8.67	-19.91
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012049240	0	33	0.0	-27.04	306.93	7.89	-19.15
CC(C)OC1=CC(Cl)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1Cl	REAL300012049241	0	43	0.0	-27.16	380.73	10.30	-16.86
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012049242	0	45	0.0	-31.10	371.65	8.25	-22.85
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1F	REAL300012049243	0	41	0.0	-30.66	351.73	8.20	-22.46
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049244	0	47	0.0	-29.81	388.07	10.35	-19.46
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012049245	0	33	0.0	-37.00	303.46	8.78	-28.22
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012049246	0	40	0.0	-30.85	354.54	8.90	-21.95
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC	REAL300012049247	0	45	0.0	-32.86	399.78	9.97	-22.89
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC1CC1	REAL300012049248	0	45	0.0	-31.08	373.94	9.36	-21.72
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049249	0	36	0.0	-29.34	326.99	7.12	-22.22
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049250	0	47	0.0	-31.03	385.75	8.70	-22.33
CCCC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])S1	REAL300012049251	0	39	0.0	-25.58	340.11	9.99	-15.59
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012049252	0	40	0.0	-28.48	351.52	11.11	-17.37
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012049253	0	46	0.0	-27.39	372.36	10.37	-17.02
CC(C)C1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049254	0	42	0.0	-27.61	346.54	10.49	-17.12
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012049255	0	49	0.0	-28.07	385.67	10.51	-17.56
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012049256	0	46	0.0	-26.76	375.22	12.00	-14.76
CC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=NC=C1Br	REAL300012049257	0	35	0.0	-31.79	321.13	7.96	-23.83
CC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C(Br)C=C1F	REAL300012049258	0	36	0.0	-23.76	328.46	9.85	-13.91
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012049259	0	34	0.0	-28.20	309.65	6.17	-22.03
CN1C=C(C2=NC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CS2)C=N1	REAL300012049260	0	39	0.0	-29.27	355.85	7.15	-22.12
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1Cl	REAL300012049261	0	37	0.0	-31.02	331.85	8.42	-22.60
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012049262	0	43	0.0	-28.93	355.71	9.08	-19.85
CN1C=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(Br)=N1	REAL300012049264	0	33	0.0	-26.17	308.55	6.81	-19.36
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049265	0	40	0.0	-35.69	341.10	7.43	-28.26
CN1N=CC2=CC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CN=C21	REAL300012049266	0	38	0.0	-33.27	329.31	7.66	-25.61
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012049267	0	32	0.0	-27.57	307.97	7.39	-20.18
COC1=CC(Cl)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC	REAL300012049268	0	41	0.0	-26.51	356.88	8.24	-18.27
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012049269	0	39	0.0	-30.34	345.98	10.35	-19.99
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049270	0	53	0.0	-31.82	434.22	9.02	-22.80
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049271	0	43	0.0	-28.90	350.51	8.59	-20.31
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C(C)N1	REAL300012049272	0	46	0.0	-33.49	384.68	8.94	-24.55
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012049273	0	32	0.0	-32.79	303.91	7.30	-25.49
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012049274	0	43	0.0	-31.71	378.02	12.50	-19.21
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012049275	0	33	0.0	-35.02	316.44	9.28	-25.74
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C(Br)SC=C1	REAL300012049276	0	30	0.0	-23.85	294.35	8.21	-15.64
CCOC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C(F)C=C1OC	REAL300012049277	0	44	0.0	-26.94	370.09	8.68	-18.26
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CN=C1Br	REAL300012049278	0	32	0.0	-29.86	291.08	7.13	-22.73
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C(F)C=C1Br	REAL300012049279	0	37	0.0	-25.74	339.42	8.53	-17.21
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012049280	0	33	0.0	-31.03	317.55	9.57	-21.46
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049281	0	40	0.0	-29.81	344.09	8.86	-20.95
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012049282	0	47	0.0	-38.82	382.32	9.62	-29.20
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012049283	0	37	0.0	-32.11	329.82	8.12	-23.99
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049284	0	46	0.0	-27.58	366.71	9.70	-17.88
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049285	0	36	0.0	-28.50	313.94	9.53	-18.97
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C(F)C=C1C	REAL300012049286	0	40	0.0	-30.55	340.43	8.69	-21.86
CC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(C)=C1Br	REAL300012049287	0	39	0.0	-28.23	334.08	10.17	-18.06
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049289	0	50	0.0	-33.87	407.07	8.81	-25.06
CC(C)(C)C1=CSC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=N1	REAL300012049290	1	41	0.0	-25.23	351.90	8.32	-16.91
COCCC1=NC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])S1	REAL300012049291	0	39	0.0	-29.19	346.87	6.31	-22.88
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012049293	1	34	0.0	-28.49	322.16	6.43	-22.06
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012049294	1	34	0.0	-29.11	307.27	5.89	-23.22
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049295	0	41	0.0	-27.43	348.47	8.16	-19.27
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012049296	0	41	0.0	-26.83	331.76	8.52	-18.31
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012049297	0	35	0.0	-34.05	311.92	9.04	-25.01
CC1=C(Br)C=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])S1	REAL300012049298	0	33	0.0	-27.81	318.93	9.07	-18.74
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012049299	0	43	0.0	-29.95	377.26	12.53	-17.42
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012049300	0	38	0.0	-29.58	317.02	8.66	-20.92
CCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1C	REAL300012049301	0	46	0.0	-28.88	379.24	10.34	-18.54
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012049302	0	37	0.0	-32.23	322.36	6.98	-25.25
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012049303	0	51	0.0	-32.76	422.94	11.25	-21.51
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012049304	0	47	0.0	-32.23	397.22	9.52	-22.71
CC1=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012049305	0	38	0.0	-36.31	322.30	9.57	-26.74
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(F)=C1OC	REAL300012049307	0	41	0.0	-27.59	353.04	7.90	-19.69
COC(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(F)=C1	REAL300012049308	0	39	0.0	-36.57	345.35	9.21	-27.36
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012049309	0	43	0.0	-29.63	372.96	8.95	-20.68
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012049310	0	47	0.0	-30.71	397.59	11.84	-18.87
CCCC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049312	0	42	0.0	-28.02	350.70	10.79	-17.23
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012049313	0	39	0.0	-25.56	366.59	9.84	-15.72
CC1=C2C=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=NC2=NN1	REAL300012049316	0	38	0.0	-40.37	327.23	7.02	-33.35
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049317	0	41	0.0	-37.01	359.90	5.28	-31.73
CN1N=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012049318	0	39	0.0	-31.25	336.27	8.53	-22.72
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012049319	0	36	0.0	-30.49	311.90	7.15	-23.34
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012049319	1	36	0.0	-26.64	313.42	7.20	-19.44
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012049320	0	39	0.0	-30.74	341.21	6.76	-23.98
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC=C1Cl	REAL300012049321	0	30	0.0	-28.82	290.98	7.98	-20.84
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012049322	0	38	0.0	-25.73	336.86	9.43	-16.30
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012049323	0	33	0.0	-27.71	315.89	8.84	-18.87
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012049324	0	35	0.0	-26.35	339.28	8.66	-17.69
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049325	0	43	0.0	-30.27	366.72	11.15	-19.12
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012049326	0	52	0.0	-29.97	423.42	12.07	-17.90
CC(C)C1CCC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012049327	0	48	0.0	-28.64	350.97	10.20	-18.44
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012049328	0	36	0.0	-26.91	333.31	9.65	-17.26
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049329	0	44	0.0	-32.08	371.13	9.92	-22.16
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049330	0	47	0.0	-30.79	383.52	10.13	-20.66
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012049331	0	35	0.0	-29.63	307.67	6.01	-23.62
COC1=CC=C(N2C=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=N2)C=C1	REAL300012049332	0	44	0.0	-34.85	374.64	9.12	-25.73
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049333	0	48	0.0	-29.34	408.23	11.99	-17.35
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012049334	0	35	0.0	-35.62	324.41	6.54	-29.08
O=C([O-])C(CC1=CSC=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012049335	0	40	0.0	-29.20	333.34	10.60	-18.60
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=NC=C1Br	REAL300012049336	0	32	0.0	-24.30	295.83	7.33	-16.97
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])S1	REAL300012049337	0	36	0.0	-33.77	338.12	5.22	-28.55
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(F)=C1	REAL300012049338	0	38	0.0	-34.05	345.04	3.58	-30.47
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049340	0	35	0.0	-28.18	313.96	7.83	-20.35
CC1=C2C=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])NC2=CC=C1	REAL300012049341	0	40	0.0	-28.91	337.86	9.12	-19.79
CC1=CC=C2C=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])NC2=C1	REAL300012049342	0	40	0.0	-28.79	338.27	9.13	-19.66
CCOC1=CN=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049343	0	39	0.0	-30.66	332.62	7.01	-23.65
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012049344	0	44	0.0	-31.15	362.00	7.18	-23.97
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049345	0	41	0.0	-32.19	324.51	8.94	-23.25
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012049346	0	37	0.0	-29.95	315.52	8.52	-21.43
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012049347	1	36	0.0	-37.29	318.93	6.09	-31.20
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012049348	0	35	0.0	-32.22	315.73	7.65	-24.57
COC1=CN=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1C	REAL300012049350	0	39	0.0	-28.21	321.47	6.55	-21.66
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(C)=C1	REAL300012049351	0	46	0.0	-29.93	376.34	11.69	-18.24
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012049352	0	53	0.0	-30.92	426.34	7.44	-23.48
CC(C)(C)OC(=O)NC(C[NH2+]C(CC1=CSC=C1)C(=O)[O-])CC(F)F	REAL300012049353	0	49	0.0	-31.07	396.55	7.45	-23.62
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012049354	0	43	0.0	-38.88	360.00	6.15	-32.73
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012049355	0	38	0.0	-32.34	331.58	8.93	-23.41
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1C	REAL300012049356	0	46	0.0	-29.65	371.93	11.55	-18.10
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049357	0	38	0.0	-36.00	338.34	3.46	-32.54
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012049358	1	42	0.0	-24.33	339.27	9.07	-15.26
CN1C=CC(C2=NC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CS2)=N1	REAL300012049359	0	39	0.0	-39.38	354.62	7.03	-32.35
CC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1Br	REAL300012049360	0	36	0.0	-26.96	315.69	9.54	-17.42
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012049361	0	44	0.0	-29.29	381.41	11.48	-17.81
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012049362	0	41	0.0	-29.98	340.02	9.24	-20.74
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049363	0	43	0.0	-33.00	358.48	8.43	-24.57
CCC1=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(Cl)=NN1	REAL300012049364	0	36	0.0	-30.54	319.17	6.79	-23.75
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012049365	0	37	0.0	-24.43	331.36	7.48	-16.95
CC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012049366	0	45	0.0	-28.26	357.58	9.74	-18.52
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012049367	0	32	0.0	-26.68	311.98	6.67	-20.01
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012049368	0	36	0.0	-29.92	323.36	9.45	-20.47
COC(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1C	REAL300012049369	0	42	0.0	-31.23	355.00	9.69	-21.54
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(C)=C1	REAL300012049370	0	40	0.0	-27.29	329.27	8.49	-18.80
CC1=C(Cl)C=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1Cl	REAL300012049371	0	36	0.0	-29.00	330.93	10.01	-18.99
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049372	0	34	0.0	-29.23	322.53	9.53	-19.70
CC1CC2=CC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CC=C2O1	REAL300012049373	0	41	0.0	-30.26	342.04	9.14	-21.12
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012049374	0	36	0.0	-41.43	316.77	6.02	-35.41
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012049375	0	38	0.0	-26.07	322.06	8.43	-17.64
CSCC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049376	0	40	0.0	-29.94	352.44	10.46	-19.48
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012049377	0	43	0.0	-32.77	358.56	9.36	-23.41
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049378	0	41	0.0	-28.96	341.63	6.17	-22.79
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049379	0	40	0.0	-29.46	331.72	8.04	-21.42
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012049380	0	40	0.0	-28.85	333.80	8.32	-20.53
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012049381	0	40	0.0	-31.61	333.16	8.31	-23.30
COC1=CC=C(C)C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049382	0	40	0.0	-29.40	330.63	8.51	-20.89
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=C21	REAL300012049383	0	39	0.0	-30.18	321.62	9.66	-20.52
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049384	0	43	0.0	-34.26	354.99	8.34	-25.92
CC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(C)=C1C	REAL300012049385	0	42	0.0	-25.52	330.88	10.13	-15.39
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049386	0	43	0.0	-36.90	362.96	7.69	-29.21
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012049387	0	43	0.0	-31.44	342.36	8.96	-22.48
COC1=CC=C2SC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CC2=C1	REAL300012049388	0	40	0.0	-28.96	353.25	9.39	-19.57
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049389	0	49	0.0	-33.21	398.57	10.34	-22.87
CCN1CCC2=CC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CC=C21	REAL300012049390	0	45	0.0	-28.28	357.45	8.66	-19.62
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049391	0	46	0.0	-37.10	377.86	9.42	-27.68
CC1=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=NN1C(C)C	REAL300012049392	0	42	0.0	-27.41	347.60	8.29	-19.12
CSC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1Cl	REAL300012049393	0	37	0.0	-29.33	341.54	10.04	-19.29
CC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012049394	0	43	0.0	-28.13	353.35	11.19	-16.94
CCOC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=N1	REAL300012049395	0	39	0.0	-32.83	335.26	6.21	-26.62
CC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1C1CC1	REAL300012049396	0	43	0.0	-27.61	353.35	11.19	-16.42
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C(C)=C2)C=C1	REAL300012049397	0	46	0.0	-33.64	380.14	10.87	-22.77
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012049398	0	39	0.0	-29.82	355.36	10.37	-19.45
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049399	0	43	0.0	-31.68	371.66	10.71	-20.97
CCC1=CC(Br)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])S1	REAL300012049400	0	36	0.0	-25.48	337.90	9.76	-15.72
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=C2)C=C1Cl	REAL300012049401	0	43	0.0	-31.09	381.07	10.78	-20.31
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])O2)N1	REAL300012049402	0	40	0.0	-30.75	354.93	7.36	-23.39
COCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])O1	REAL300012049403	1	41	0.0	-32.63	355.56	7.36	-25.27
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012049404	0	33	0.0	-28.95	324.35	9.72	-19.23
COC1=CC=CC(C2=CSC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=N2)=C1	REAL300012049405	1	43	0.0	-27.27	377.57	8.63	-18.64
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049406	0	53	0.0	-32.75	434.22	9.03	-23.72
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049407	0	45	0.0	-35.11	379.76	7.93	-27.18
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012049408	0	50	0.0	-33.83	398.98	10.43	-23.40
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049409	0	40	0.0	-30.48	338.64	8.23	-22.25
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049410	0	43	0.0	-31.84	353.47	11.36	-20.48
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012049411	0	36	0.0	-32.90	347.38	10.42	-22.48
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012049412	1	43	0.0	-31.73	357.28	5.02	-26.71
COC1=NC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1F	REAL300012049413	0	36	0.0	-36.26	319.02	5.33	-30.93
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012049414	0	33	0.0	-34.58	315.84	9.27	-25.31
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012049415	0	33	0.0	-36.38	303.70	8.56	-27.82
CC1=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012049416	0	45	0.0	-25.80	368.97	10.09	-15.71
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012049418	0	53	0.0	-37.55	407.88	9.52	-28.03
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049419	0	35	0.0	-30.14	317.55	7.90	-22.24
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012049420	0	39	0.0	-33.01	360.20	6.49	-26.52
CC1OC2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=C2C1C	REAL300012049421	0	44	0.0	-29.76	358.39	9.63	-20.13
CC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OC(F)F	REAL300012049422	0	40	0.0	-32.84	345.65	8.90	-23.94
CC1=NC(Cl)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1Br	REAL300012049423	0	35	0.0	-23.91	331.67	8.28	-15.63
CC1=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012049424	0	36	0.0	-30.44	321.82	6.45	-23.99
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012049426	1	36	0.0	-25.45	322.15	7.83	-17.62
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012049427	0	33	0.0	-32.34	306.06	5.86	-26.48
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012049428	0	38	0.0	-32.06	322.20	8.45	-23.61
CSC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049429	0	37	0.0	-27.68	326.54	9.58	-18.10
CC1=C(Br)C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C(C)S1	REAL300012049430	0	36	0.0	-22.60	333.57	9.54	-13.06
CCCN1C=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(C)=N1	REAL300012049431	0	42	0.0	-28.58	351.82	8.61	-19.97
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012049432	0	35	0.0	-31.45	308.97	7.29	-24.16
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012049433	0	40	0.0	-28.56	351.51	10.86	-17.70
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012049434	0	41	0.0	-29.51	346.86	9.58	-19.93
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012049435	0	37	0.0	-31.66	337.89	8.38	-23.28
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012049436	0	39	0.0	-28.74	357.52	10.45	-18.29
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(C)=C1	REAL300012049437	0	46	0.0	-32.79	379.66	11.55	-21.24
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=C2)C=N1	REAL300012049438	0	46	0.0	-33.85	381.89	12.10	-21.75
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049439	0	40	0.0	-31.56	341.48	6.80	-24.76
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012049440	0	47	0.0	-28.27	381.28	12.60	-15.67
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049442	0	43	0.0	-31.62	364.28	7.69	-23.93
CC1=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012049443	0	39	0.0	-30.72	339.69	9.79	-20.93
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012049444	0	40	0.0	-29.89	332.12	7.43	-22.46
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049445	0	43	0.0	-31.45	365.10	9.65	-21.80
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049446	0	44	0.0	-30.11	357.74	9.10	-21.01
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012049447	0	36	0.0	-28.65	344.17	10.68	-17.97
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012049448	0	36	0.0	-36.67	327.28	7.64	-29.03
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012049449	0	43	0.0	-25.45	357.47	10.60	-14.85
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012049451	0	36	0.0	-38.10	324.93	9.50	-28.60
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012049452	0	41	0.0	-27.80	333.03	8.61	-19.19
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049453	0	40	0.0	-28.26	353.04	9.38	-18.88
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012049455	1	40	0.0	-29.31	329.28	9.39	-19.92
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012049456	0	35	0.0	-35.80	319.62	9.31	-26.49
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012049457	0	46	0.0	-30.70	368.81	9.55	-21.15
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012049458	0	40	0.0	-30.47	360.21	10.05	-20.42
CN(CCO)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=N1	REAL300012049459	0	44	0.0	-31.05	364.58	6.10	-24.95
COC1=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012049460	0	49	0.0	-26.67	379.81	10.31	-16.36
CN1C=C(Br)N=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049461	0	33	0.0	-26.16	307.68	7.46	-18.70
COC1=CC(C)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=N1	REAL300012049462	0	39	0.0	-29.98	328.60	5.92	-24.06
COC1=CC(C)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1O	REAL300012049463	0	41	0.0	-28.98	336.36	6.14	-22.84
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012049464	0	39	0.0	-27.65	341.78	7.64	-20.01
CN1C(=O)C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012049465	0	42	0.0	-27.55	352.82	9.34	-18.21
COC1=NC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1C	REAL300012049466	0	39	0.0	-26.13	333.64	5.95	-20.18
O=C([O-])C(CC1=CSC=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012049467	0	40	0.0	-35.76	342.10	8.52	-27.24
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012049468	0	46	0.0	-27.10	375.24	12.01	-15.09
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049469	0	43	0.0	-31.86	382.51	9.34	-22.52
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049470	0	50	0.0	-32.43	406.81	8.78	-23.65
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012049471	0	37	0.0	-34.21	330.05	8.12	-26.09
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049472	0	39	0.0	-28.25	339.53	10.09	-18.16
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012049473	0	39	0.0	-30.33	349.25	9.35	-20.98
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])S1	REAL300012049474	0	39	0.0	-29.23	353.01	7.89	-21.34
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012049475	0	33	0.0	-26.43	303.59	8.75	-17.68
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012049476	0	40	0.0	-29.60	351.88	11.00	-18.60
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049477	0	42	0.0	-30.25	348.29	7.40	-22.85
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012049478	0	33	0.0	-34.41	326.30	9.72	-24.69
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012049479	0	44	0.0	-29.72	390.41	11.93	-17.79
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=C2)=C1	REAL300012049480	0	48	0.0	-33.27	403.19	10.71	-22.56
CCN1CCCC2=CC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=CC=C21	REAL300012049481	0	48	0.0	-27.61	374.22	9.71	-17.90
CN1N=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1Br	REAL300012049482	0	33	0.0	-28.05	309.07	6.78	-21.27
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049483	0	48	0.0	-31.53	403.46	11.27	-20.26
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012049484	0	37	0.0	-29.04	342.72	10.03	-19.01
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012049485	0	46	0.0	-31.18	379.52	9.24	-21.94
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012049486	0	41	0.0	-29.81	340.03	8.66	-21.15
CC1=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012049487	0	39	0.0	-26.33	347.02	10.67	-15.66
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012049488	0	39	0.0	-33.23	340.95	6.74	-26.49
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012049489	0	47	0.0	-27.09	384.59	10.88	-16.21
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049490	0	39	0.0	-32.68	325.57	10.08	-22.60
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OCCO	REAL300012049491	0	45	0.0	-33.84	376.97	5.56	-28.28
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1OCCO	REAL300012049492	0	45	0.0	-33.25	376.97	5.56	-27.69
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012049493	0	38	0.0	-31.43	326.02	9.05	-22.38
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012049494	0	52	0.0	-35.37	424.00	9.21	-26.16
CC1=CC2=CC=CC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=C2O1	REAL300012049495	0	39	0.0	-31.61	334.25	9.68	-21.93
COC1=CSC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1OC	REAL300012049496	0	38	0.0	-29.69	339.10	6.61	-23.08
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012049497	0	42	0.0	-31.10	381.48	10.23	-20.87
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049498	0	36	0.0	-40.09	330.14	4.19	-35.90
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012049499	0	36	0.0	-32.83	329.31	9.56	-23.27
CC(C)OC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1F	REAL300012049500	0	43	0.0	-30.42	361.82	9.50	-20.92
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012049502	0	33	0.0	-34.62	311.59	9.16	-25.46
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012049503	0	36	0.0	-28.31	319.16	9.46	-18.85
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012049504	0	39	0.0	-32.51	336.86	10.83	-21.68
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049505	0	36	0.0	-35.75	338.55	5.17	-30.58
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012049506	0	30	0.0	-30.17	293.36	8.17	-22.00
CC1=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012049507	0	43	0.0	-27.31	351.81	8.98	-18.33
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012049508	0	40	0.0	-32.06	361.88	10.30	-21.76
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049509	0	46	0.0	-28.81	373.09	9.61	-19.20
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012049510	0	36	0.0	-29.98	314.37	7.24	-22.74
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012049511	0	40	0.0	-31.51	349.40	9.77	-21.74
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012049514	0	36	0.0	-36.21	322.57	7.50	-28.71
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012049515	0	37	0.0	-35.35	330.91	8.01	-27.34
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049516	0	49	0.0	-27.84	390.64	10.23	-17.61
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012049517	0	44	0.0	-30.99	359.58	7.14	-23.85
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049518	0	47	0.0	-29.26	381.39	7.82	-21.44
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012049519	0	38	0.0	-28.79	346.06	9.67	-19.12
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049521	0	35	0.0	-35.82	332.13	2.57	-33.25
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012049522	0	32	0.0	-26.10	310.84	7.64	-18.46
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012049523	0	48	0.0	-34.79	390.30	8.00	-26.79
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049524	0	46	0.0	-27.34	370.34	9.59	-17.75
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012049525	0	36	0.0	-32.84	310.01	9.60	-23.24
CC1=CC(Br)=C(F)C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049526	0	36	0.0	-24.43	331.55	9.84	-14.59
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012049527	0	33	0.0	-34.30	326.45	9.72	-24.58
COC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1Br	REAL300012049528	0	37	0.0	-29.78	326.12	8.32	-21.46
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012049529	0	36	0.0	-35.90	311.28	7.27	-28.63
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012049530	0	33	0.0	-35.15	312.02	9.17	-25.98
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])=C2)C=N1	REAL300012049531	0	43	0.0	-31.76	365.12	9.82	-21.94
COC1=CC(F)=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1Br	REAL300012049532	0	37	0.0	-30.68	341.81	8.55	-22.13
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012049533	0	43	0.0	-38.41	372.88	10.98	-27.43
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049534	0	36	0.0	-28.29	321.13	9.80	-18.49
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049535	0	38	0.0	-35.56	336.07	8.38	-27.18
COC1=NC2=CC=C(C[NH2+]C(CC3=CSC=C3)C(=O)[O-])C=C2S1	REAL300012049536	0	39	0.0	-31.49	350.75	6.42	-25.07
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012049537	0	32	0.0	-32.95	301.34	7.26	-25.69
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012049538	0	33	0.0	-24.61	319.80	9.57	-15.04
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049539	0	35	0.0	-30.24	308.17	7.63	-22.61
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049540	0	49	0.0	-26.78	396.79	10.87	-15.91
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012049541	0	33	0.0	-24.92	327.05	9.68	-15.24
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049542	0	37	0.0	-28.76	331.23	8.38	-20.38
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012049543	0	36	0.0	-35.34	337.00	9.91	-25.43
COC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CC(F)=C1F	REAL300012049544	0	37	0.0	-32.78	328.34	8.00	-24.78
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049545	0	39	0.0	-26.86	329.41	6.72	-20.14
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1C	REAL300012049546	0	43	0.0	-33.25	368.26	8.20	-25.05
CC(C)OC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])O1	REAL300012049547	1	40	0.0	-30.10	340.91	8.79	-21.31
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012049548	0	34	0.0	-25.21	319.78	6.35	-18.86
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049549	0	34	0.0	-33.52	312.27	8.98	-24.54
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012049550	0	49	0.0	-27.77	388.17	12.42	-15.35
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049551	0	41	0.0	-33.61	345.75	9.25	-24.36
CC1=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])SC(Br)=C1	REAL300012049552	0	33	0.0	-24.72	313.13	8.89	-15.83
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049553	0	43	0.0	-27.68	352.75	8.94	-18.74
CC1=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012049554	0	39	0.0	-30.83	339.14	7.96	-22.87
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012049555	0	41	0.0	-32.13	354.19	8.87	-23.26
CC(C)N1C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300012049556	1	45	0.0	-24.98	384.23	10.70	-14.28
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049557	0	40	0.0	-34.22	349.62	7.82	-26.40
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012049558	0	46	0.0	-28.97	386.95	12.96	-16.01
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049559	0	49	0.0	-36.87	405.98	9.86	-27.01
COC1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(C)=N1	REAL300012049560	0	39	0.0	-28.93	323.46	5.69	-23.24
CCN(C)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C(C)=C1	REAL300012049561	0	47	0.0	-27.10	374.40	10.57	-16.53
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012049562	0	32	0.0	-24.31	313.63	7.76	-16.55
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012049563	0	30	0.0	-28.73	306.48	8.55	-20.18
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012049564	0	37	0.0	-30.23	348.35	8.92	-21.31
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012049565	0	43	0.0	-31.69	374.89	11.39	-20.30
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012049566	0	36	0.0	-29.32	321.95	9.94	-19.38
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012049567	0	42	0.0	-31.38	353.57	10.16	-21.22
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049568	0	55	0.0	-28.32	445.20	13.48	-14.84
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012049569	0	36	0.0	-31.91	312.57	7.28	-24.63
CCC(C)C1=CC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012049570	0	45	0.0	-26.97	362.83	11.09	-15.88
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012049571	0	35	0.0	-31.86	328.95	7.87	-23.99
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012049572	0	38	0.0	-34.16	352.10	8.91	-25.25
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012049573	0	40	0.0	-25.97	347.27	7.22	-18.75
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012049574	0	36	0.0	-27.26	343.67	10.68	-16.58
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=N1	REAL300012049576	0	38	0.0	-32.83	334.10	8.51	-24.32
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012049577	0	33	0.0	-25.31	317.17	9.25	-16.06
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012049578	0	33	0.0	-30.00	326.72	9.62	-20.38
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012049579	0	43	0.0	-26.55	341.66	10.96	-15.59
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012049580	0	35	0.0	-34.91	334.51	9.85	-25.06
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049581	0	40	0.0	-30.57	344.86	10.45	-20.12
COC1=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=CC(Br)=C1F	REAL300012049582	0	37	0.0	-30.92	341.33	8.59	-22.33
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012049583	0	36	0.0	-35.90	328.50	9.55	-26.35
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012049584	0	39	0.0	-35.99	338.69	8.48	-27.51
CC1=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012049585	0	42	0.0	-27.58	341.97	11.30	-16.28
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049586	0	51	0.0	-29.30	408.21	10.12	-19.18
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012049587	0	39	0.0	-31.54	349.54	11.31	-20.23
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049588	0	41	0.0	-25.98	346.41	8.01	-17.97
O=C([O-])C(CC1=CSC=C1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012049589	0	46	0.0	-30.93	373.92	5.58	-25.35
CCCN1N=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1C	REAL300012049590	0	42	0.0	-28.23	351.02	8.44	-19.79
CC1=CC(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012049591	0	42	0.0	-32.62	356.56	9.89	-22.73
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012049592	0	40	0.0	-38.49	348.26	8.68	-29.81
COC1=CC=C(Br)C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])=C1O	REAL300012049593	0	38	0.0	-27.86	338.81	6.15	-21.71
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CSC=C1)C(=O)[O-]	REAL300012049594	0	42	0.0	-27.48	344.46	8.31	-19.17
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CSC=C2)C(=O)[O-])O1	REAL300012049595	1	41	0.0	-30.79	345.52	6.09	-24.70
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OCC1=CC=CC=C1	REAL300012049596	0	52	0.0	-83.88	420.74	11.68	-72.20
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)O3)(C1)C2	REAL300012049597	0	31	0.0	-78.88	282.88	7.37	-71.51
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OCC1=CC=C(F)C=C1	REAL300012049598	0	52	0.0	-84.18	427.16	11.75	-72.43
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=C2)C=C1	REAL300012049599	0	52	0.0	-88.50	421.42	9.83	-78.67
O=C([O-])C12CC(C[NH2+]CC3=CC(NC(=O)C4=CC=CC=C4Cl)=CC=C3)(C1)C2	REAL300012049600	0	48	0.0	-88.58	404.55	11.03	-77.55
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049601	0	44	0.0	-82.41	358.91	10.30	-72.11
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OC(F)F	REAL300012049602	0	42	0.0	-83.80	348.74	7.98	-75.82
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C(Br)C=C4)O3)(C1)C2	REAL300012049603	0	41	0.0	-79.49	361.97	11.01	-68.48
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC(Br)=C1OC	REAL300012049604	0	45	0.0	-85.05	385.38	9.37	-75.68
CCOC1=C(Br)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049605	0	45	0.0	-85.22	385.18	9.41	-75.81
C=CCOC1=C(Br)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049606	0	46	0.0	-85.62	398.08	9.98	-75.64
CCCOC1=C(Br)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049607	0	48	0.0	-84.78	406.88	10.20	-74.58
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OC	REAL300012049608	0	45	0.0	-82.20	360.83	8.62	-73.58
CCCCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049609	0	50	0.0	-77.97	396.29	11.09	-66.88
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC([N+](=O)[O-])=C4)O3)(C1)C2	REAL300012049610	0	43	0.0	-84.94	368.68	11.06	-73.88
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C([N+](=O)[O-])C=C4)O3)(C1)C2	REAL300012049611	0	43	0.0	-86.35	368.86	11.06	-75.29
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1Br	REAL300012049612	0	38	0.0	-81.35	330.15	8.47	-72.88
CCCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049613	0	51	0.0	-82.10	404.04	10.20	-71.90
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049614	0	48	0.0	-81.97	382.33	9.42	-72.55
C=CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049615	0	46	0.0	-82.45	373.74	9.21	-73.24
CCCCCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049616	0	57	0.0	-81.81	447.03	11.76	-70.05
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)O3)(C1)C2	REAL300012049617	0	41	0.0	-79.34	357.41	10.91	-68.43
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4Cl)O3)(C1)C2	REAL300012049618	0	41	0.0	-77.27	357.54	10.95	-66.32
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC(Br)=C4)O3)(C1)C2	REAL300012049619	0	41	0.0	-79.33	361.78	11.01	-68.32
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)S3)(C1)C2	REAL300012049620	0	41	0.0	-78.01	364.80	11.81	-66.20
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4=CC=CC=C4)N=C3)(C1)C2	REAL300012049621	0	44	0.0	-80.34	364.47	10.17	-70.17
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC(OC)=C1OCC1=CC=CC=C1	REAL300012049622	0	56	0.0	-87.58	454.10	11.60	-75.98
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4[N+](=O)[O-])O3)(C1)C2	REAL300012049623	0	43	0.0	-81.64	364.61	11.68	-69.96
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CC=C(F)C=C4)=N3)(C1)C2	REAL300012049624	0	40	0.0	-77.04	351.69	9.36	-67.68
O=C([O-])C12CC(C[NH2+]CC3=CC=C(SC(F)(F)F)C=C3)(C1)C2	REAL300012049625	0	38	0.0	-81.23	336.84	9.97	-71.26
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)(F)F)C=C3)(C1)C2	REAL300012049626	0	38	0.0	-81.23	326.43	8.29	-72.94
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C([N+](=O)[O-])C=C4)S3)(C1)C2	REAL300012049627	0	43	0.0	-84.93	376.46	11.95	-72.98
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4[N+](=O)[O-])S3)(C1)C2	REAL300012049628	0	43	0.0	-82.32	373.25	11.85	-70.47
CC1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)O2)C=C1	REAL300012049629	0	44	0.0	-78.10	362.08	11.06	-67.04
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC4CCCO4)C=C3)(C1)C2	REAL300012049630	0	49	0.0	-80.93	388.76	9.11	-71.82
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C(F)C=C4)S3)(C1)C2	REAL300012049631	0	41	0.0	-78.48	354.48	11.35	-67.13
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C(Br)C=C4)S3)(C1)C2	REAL300012049632	0	41	0.0	-78.11	369.37	11.91	-66.20
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4Cl)S3)(C1)C2	REAL300012049633	0	41	0.0	-76.90	364.98	11.81	-65.09
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OCC1=CC=NC=C1	REAL300012049634	0	51	0.0	-85.69	415.83	9.90	-75.79
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4F)S3)(C1)C2	REAL300012049635	0	41	0.0	-77.91	357.43	11.46	-66.45
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4Br)S3)(C1)C2	REAL300012049636	0	41	0.0	-77.01	368.58	11.87	-65.14
O=C([O-])C12CC(C[NH2+]CC3=CC(C(F)(F)F)=CC=C3Cl)(C1)C2	REAL300012049637	0	37	0.0	-74.92	330.84	9.98	-64.94
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(C(F)(F)F)=C3)(C1)C2	REAL300012049638	0	37	0.0	-87.58	324.55	9.56	-78.02
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC=C3Cl)(C1)C2	REAL300012049639	0	34	0.0	-72.80	308.84	9.50	-63.30
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(C(F)(F)F)=C3)(C1)C2	REAL300012049640	0	37	0.0	-84.92	325.70	9.58	-75.34
O=C([O-])C12CC(C[NH2+]CC3=CC(C(F)(F)F)=CC=C3F)(C1)C2	REAL300012049641	0	37	0.0	-76.89	323.51	9.54	-67.35
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(Cl)=C1OC	REAL300012049642	0	42	0.0	-77.92	355.09	8.28	-69.64
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC(Br)=C4)S3)(C1)C2	REAL300012049643	0	41	0.0	-77.86	369.58	11.89	-65.97
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC(Cl)=C4)S3)(C1)C2	REAL300012049644	0	41	0.0	-77.93	365.01	11.79	-66.14
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=C2)=C1	REAL300012049645	0	49	0.0	-81.88	412.37	12.17	-69.71
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OCC(F)(F)F	REAL300012049646	0	45	0.0	-85.80	380.40	9.09	-76.71
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC4=CC=NC=C4)C=C3)(C1)C2	REAL300012049647	0	47	0.0	-81.87	386.59	10.02	-71.85
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=C4OCCOC4=C3)(C1)C2	REAL300012049648	0	40	0.0	-82.71	345.29	8.32	-74.39
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=C4OCCCOC4=C3)(C1)C2	REAL300012049649	0	43	0.0	-84.21	363.71	9.10	-75.11
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4C=CC(C(F)(F)F)=N4)C=C3)(C1)C2	REAL300012049650	0	44	0.0	-87.57	379.96	10.66	-76.91
COCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012049651	0	45	0.0	-77.87	365.22	8.00	-69.87
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CC=CC=N4)=N3)(C1)C2	REAL300012049652	0	39	0.0	-77.70	340.70	7.42	-70.28
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300012049653	0	50	0.0	-86.25	398.35	8.43	-77.82
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC(F)(F)F)=C3)(C1)C2	REAL300012049654	0	41	0.0	-79.21	351.16	9.20	-70.01
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCCCO4)(C1)C2	REAL300012049655	0	43	0.0	-75.57	340.24	8.51	-67.06
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=CS3)(C1)C2	REAL300012049656	0	41	0.0	-77.24	346.48	11.08	-66.16
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC4CCCC4)=C3)(C1)C2	REAL300012049657	0	48	0.0	-78.45	375.17	10.71	-67.74
CC1=CC=C(C2=NC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CS2)C=C1	REAL300012049658	0	43	0.0	-75.35	366.48	9.97	-65.38
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC4=CC=CC=C4F)=C3)(C1)C2	REAL300012049659	0	48	0.0	-79.13	395.42	11.95	-67.18
O=C([O-])C12CC(C[NH2+]CC3=CSC(COC4=CC=CC=C4)=N3)(C1)C2	REAL300012049660	0	44	0.0	-77.30	376.87	8.81	-68.49
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CC=C(C(F)(F)F)C=C4)=N3)(C1)C2	REAL300012049661	0	43	0.0	-78.20	383.77	10.30	-67.90
O=C([O-])C12CC(C[NH2+]CC3=CSC(COC4=CC=C(Cl)C=C4)=N3)(C1)C2	REAL300012049662	0	44	0.0	-77.75	393.60	9.33	-68.42
CC1=CC=C(OCC2=NC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CS2)C=C1	REAL300012049663	0	47	0.0	-77.35	398.27	9.49	-67.86
COC1=CC=C(OCC2=NC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CS2)C=C1	REAL300012049664	0	48	0.0	-78.83	406.37	8.10	-70.73
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CSC=C4)=N3)(C1)C2	REAL300012049665	0	37	0.0	-75.17	336.12	8.23	-66.94
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC(F)=C4)S3)(C1)C2	REAL300012049666	0	41	0.0	-78.77	354.69	11.35	-67.42
CC1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)S2)C=C1	REAL300012049667	0	44	0.0	-76.85	369.48	11.96	-64.89
COC1=CC(OC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2)=CC(OC)=C1	REAL300012049668	0	53	0.0	-83.69	428.10	9.96	-73.73
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049669	0	38	0.0	-77.98	342.77	8.94	-69.04
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CC=C3Cl)(C1)C2	REAL300012049670	0	34	0.0	-72.72	313.41	9.60	-63.12
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC=C3Br)(C1)C2	REAL300012049671	0	34	0.0	-71.98	312.42	9.60	-62.38
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4=CC(F)=CC(F)=C4)C=C3)(C1)C2	REAL300012049672	0	45	0.0	-82.17	381.95	11.49	-70.68
CCOC1=C(OC)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049673	0	49	0.0	-86.59	394.20	8.56	-78.03
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCCCC4=CC=CC=C4)=C3)(C1)C2	REAL300012049674	0	54	0.0	-77.94	434.70	13.33	-64.61
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OC1=CC=CN=C1	REAL300012049675	0	47	0.0	-80.83	385.53	10.38	-70.45
CC1=CC=C(C2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)S2)C=C1	REAL300012049676	0	43	0.0	-79.07	366.66	10.21	-68.86
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)(C1)C2	REAL300012049677	0	39	0.0	-71.83	336.96	9.54	-62.29
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=C(F)C=CC=C4F)O3)(C1)C2	REAL300012049678	0	41	0.0	-79.14	355.17	10.56	-68.58
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)O1	REAL300012049679	0	44	0.0	-79.65	367.39	11.14	-68.51
CCC1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)O2)C=C1	REAL300012049680	0	47	0.0	-77.94	383.57	11.83	-66.11
COC1=CC=C2OC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CC2=C1	REAL300012049681	0	41	0.0	-81.54	337.59	8.31	-73.23
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4=CC=CC=C4)O3)(C1)C2	REAL300012049682	0	42	0.0	-81.28	347.20	10.26	-71.02
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1Br	REAL300012049683	0	37	0.0	-78.29	319.73	9.69	-68.60
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1Br	REAL300012049684	0	37	0.0	-79.87	319.73	9.69	-70.18
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC4=C3OCC4)(C1)C2	REAL300012049685	0	39	0.0	-73.42	332.73	8.86	-64.56
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)O2)C=C1	REAL300012049686	0	53	0.0	-77.67	416.79	12.71	-64.96
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2C)=C1	REAL300012049687	0	57	0.0	-80.15	457.21	14.07	-66.08
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1C	REAL300012049688	0	57	0.0	-80.21	451.98	14.10	-66.11
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300012049689	0	54	0.0	-79.26	448.96	13.99	-65.27
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049690	0	52	0.0	-79.40	415.27	13.27	-66.13
CCN(CC)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1F	REAL300012049691	0	48	0.0	-81.32	380.70	9.68	-71.64
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C(SC)C=C1OC	REAL300012049692	0	46	0.0	-75.29	374.58	8.65	-66.64
COC1=CC=C2N=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)SC2=C1	REAL300012049693	0	40	0.0	-78.77	341.88	7.32	-71.45
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049694	0	40	0.0	-83.54	343.58	9.35	-74.19
O=C([O-])C12CC(C[NH2+]CC3=CC=C(SC(F)F)C=C3)(C1)C2	REAL300012049695	0	38	0.0	-80.12	330.25	9.77	-70.35
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)F)C(F)=C3)(C1)C2	REAL300012049696	0	38	0.0	-84.88	325.92	8.15	-76.73
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049697	0	40	0.0	-81.48	334.02	10.12	-71.36
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC(Cl)=C1OC	REAL300012049698	0	42	0.0	-85.55	358.94	8.34	-77.21
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OC(C)C(=O)N(C)C	REAL300012049699	0	58	0.0	-94.16	454.25	10.42	-83.74
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OCC(C)C	REAL300012049700	0	51	0.0	-81.63	402.64	10.10	-71.53
CCCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OC	REAL300012049701	0	48	0.0	-81.92	382.33	9.42	-72.50
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)S3)(C1)C2	REAL300012049702	0	31	0.0	-78.05	292.13	8.33	-69.72
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC(Cl)=C1OC	REAL300012049703	0	45	0.0	-85.30	381.00	9.26	-76.04
CCOC1=C(Cl)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049704	0	45	0.0	-85.47	380.79	9.30	-76.17
CCCCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OC	REAL300012049705	0	51	0.0	-81.96	403.83	10.21	-71.75
CCCOC1=C(Cl)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OCC	REAL300012049706	0	51	0.0	-84.98	424.35	11.01	-73.97
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC(F)F	REAL300012049707	0	42	0.0	-79.82	348.74	7.99	-71.83
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OC(F)F	REAL300012049708	0	45	0.0	-83.70	370.59	8.90	-74.80
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC(C)=C1OC(F)F	REAL300012049709	0	44	0.0	-80.45	358.98	9.56	-70.89
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CC=CC(Br)=C4)=N3)(C1)C2	REAL300012049710	0	40	0.0	-76.27	366.38	9.91	-66.36
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC2=C1OCCO2	REAL300012049711	0	44	0.0	-84.20	354.14	7.52	-76.68
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=NC5=CC=CC=C5S4)O3)(C1)C2	REAL300012049712	0	43	0.0	-84.16	374.92	9.93	-74.23
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4)S3)(C1)C2	REAL300012049713	0	41	0.0	-76.83	348.08	11.28	-65.55
CCCOC1=C(Cl)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049714	0	48	0.0	-85.04	402.50	10.09	-74.95
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC(F)=C4F)O3)(C1)C2	REAL300012049715	0	41	0.0	-80.82	355.17	10.58	-70.24
CC1(C)CCC2=C(C1)SC(C[NH2+]CC13CC(C(=O)[O-])(C1)C3)=N2	REAL300012049716	0	46	0.0	-73.76	364.67	9.16	-64.60
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OCC1=C(C)ON=C1C	REAL300012049717	0	54	0.0	-87.33	438.23	10.45	-76.88
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4F)O3)(C1)C2	REAL300012049718	0	41	0.0	-78.18	349.10	10.51	-67.67
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=C4OCCOC4=C3)(C1)C2	REAL300012049719	0	40	0.0	-82.97	340.91	8.19	-74.78
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4C=NC5=CC=CC=C54)C=C3)(C1)C2	REAL300012049720	0	47	0.0	-88.36	387.32	13.17	-75.19
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OCC1=CC=CS1	REAL300012049721	0	49	0.0	-83.49	410.97	10.75	-72.74
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=C4OCCCOC4=C3)(C1)C2	REAL300012049722	0	43	0.0	-84.48	359.32	8.98	-75.50
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC4=CC=CC=C4Cl)=C3)(C1)C2	REAL300012049723	0	48	0.0	-78.46	404.87	12.36	-66.10
O=C([O-])C12CC(C[NH2+]CC3CCC(C(F)(F)F)CC3)(C1)C2	REAL300012049724	0	43	0.0	-76.77	331.80	9.51	-67.26
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC(F)(F)F)C(F)=C3)(C1)C2	REAL300012049725	0	41	0.0	-87.85	357.59	9.27	-78.58
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=C(F)C=C4Cl)N=N3)(C1)C2	REAL300012049726	0	40	0.0	-84.66	356.85	9.09	-75.57
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=C(F)C(Cl)=C4)N=N3)(C1)C2	REAL300012049727	0	40	0.0	-83.61	355.73	8.91	-74.70
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=C(Cl)S3)(C1)C2	REAL300012049728	0	31	0.0	-80.78	308.16	8.80	-71.98
CC1=CC=C(SC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2[N+](=O)[O-])C=C1	REAL300012049729	0	50	0.0	-95.22	424.30	13.69	-81.53
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1[N+](=O)[O-]	REAL300012049730	0	51	0.0	-93.92	415.98	13.45	-80.47
COC1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)O2)C([N+](=O)[O-])=C1	REAL300012049731	0	47	0.0	-82.88	394.25	10.98	-71.90
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C(Cl)C(Cl)=C4)O3)(C1)C2	REAL300012049732	0	41	0.0	-80.70	372.36	11.36	-69.34
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4=CC=C(F)C=C4)C([N+](=O)[O-])=C3)(C1)C2	REAL300012049733	0	47	0.0	-97.60	401.55	12.71	-84.89
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OC(C)C	REAL300012049734	0	48	0.0	-81.90	378.77	9.24	-72.66
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OCC	REAL300012049735	0	51	0.0	-81.97	404.19	10.34	-71.63
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C(Br)=C3)(C1)C2	REAL300012049736	0	34	0.0	-83.30	320.49	9.67	-73.63
CCCCCCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049737	0	56	0.0	-77.82	439.29	12.65	-65.17
CC(C[NH2+]CC12CC(C(=O)[O-])(C1)C2)CC1=CC=C(C(C)(C)C)C=C1	REAL300012049738	0	55	0.0	-75.49	413.36	12.86	-62.63
O=C([O-])C12CC(C[NH2+]CC3=C(Br)C=CS3)(C1)C2	REAL300012049739	0	31	0.0	-70.66	290.10	8.14	-62.52
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC=C3Br)(C1)C2	REAL300012049740	0	34	0.0	-72.72	302.09	9.16	-63.56
CC1=CC=C(C2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=C2)C=C1	REAL300012049741	0	47	0.0	-78.71	376.05	12.58	-66.13
COC1=CC=C(Br)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012049742	0	38	0.0	-70.64	325.30	8.38	-62.26
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1[N+](=O)[O-]	REAL300012049743	0	40	0.0	-93.74	335.96	9.24	-84.50
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)(C1)C2	REAL300012049744	0	34	0.0	-81.28	313.70	9.52	-71.76
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CO3)(C1)C2	REAL300012049745	0	31	0.0	-78.50	282.89	7.28	-71.22
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012049746	0	47	0.0	-77.49	376.49	12.58	-64.91
O=C([O-])C12CC(C[NH2+]CC3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)(C1)C2	REAL300012049747	0	40	0.0	-86.64	358.03	10.51	-76.13
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OCC	REAL300012049748	0	48	0.0	-82.12	382.69	9.54	-72.58
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C(C(F)(F)F)=C3)(C1)C2	REAL300012049749	0	37	0.0	-86.49	332.13	9.92	-76.57
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C=C3Br)(C1)C2	REAL300012049750	0	34	0.0	-75.80	303.12	9.12	-66.68
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC(F)(F)F)=C3)(C1)C2	REAL300012049751	0	38	0.0	-80.87	326.23	8.30	-72.57
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049752	0	48	0.0	-78.70	388.64	11.56	-67.14
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC(C(F)(F)F)=C4)O3)(C1)C2	REAL300012049753	0	44	0.0	-80.01	379.52	11.40	-68.61
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(Br)=C1O	REAL300012049754	0	39	0.0	-76.79	336.07	6.22	-70.57
O=C([O-])C12CC(C[NH2+]CC3=CSC(Br)=C3)(C1)C2	REAL300012049755	0	31	0.0	-79.01	292.09	8.18	-70.83
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OCC1=CC=CN=C1	REAL300012049756	0	51	0.0	-86.29	415.58	9.89	-76.40
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C(Cl)C(Cl)=C4)S3)(C1)C2	REAL300012049757	0	41	0.0	-79.54	380.17	12.25	-67.29
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=CC=C4)=C3)(C1)C2	REAL300012049758	0	44	0.0	-78.61	354.45	11.91	-66.70
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)(C1)C2	REAL300012049759	0	45	0.0	-80.43	354.36	8.41	-72.02
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C(F)=C3)(C1)C2	REAL300012049760	0	34	0.0	-84.73	307.24	9.17	-75.56
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=CC=N4)=C3)(C1)C2	REAL300012049761	0	43	0.0	-77.09	351.89	10.39	-66.70
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)(C1)C2	REAL300012049762	0	43	0.0	-80.51	349.67	10.14	-70.37
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)(C1)C2	REAL300012049763	0	43	0.0	-82.26	349.65	10.16	-72.10
CN1CCN(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2)CC1	REAL300012049764	1	51	0.0	-76.82	389.65	7.21	-69.61
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4=CN=CC=N4)C=C3)(C1)C2	REAL300012049765	0	43	0.0	-83.74	361.79	6.99	-76.75
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=C3)(C1)C2	REAL300012049766	0	41	0.0	-84.21	345.68	9.78	-74.43
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=C(Cl)C=C4)N=C3)(C1)C2	REAL300012049767	0	41	0.0	-83.65	356.00	10.23	-73.42
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)N=C(SC4=CC=CC=C4)S3)(C1)C2	REAL300012049768	0	41	0.0	-76.39	384.28	10.42	-65.97
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC(C)=C1OCC1=CC=CC=N1	REAL300012049769	0	53	0.0	-81.09	426.27	11.59	-69.50
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC(F)(F)F)C=C3)(C1)C2	REAL300012049770	0	41	0.0	-81.65	351.36	9.19	-72.46
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OCC1=CC=CC=C1	REAL300012049771	0	55	0.0	-83.52	442.60	12.60	-70.92
COC1=C2OC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CC2=CC=C1	REAL300012049772	0	41	0.0	-81.16	337.61	8.32	-72.84
CC(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1[N+](=O)[O-]	REAL300012049773	0	45	0.0	-89.21	365.50	11.00	-78.21
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=C4OCOC4=C3)(C1)C2	REAL300012049774	0	37	0.0	-85.72	327.59	7.78	-77.94
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OCC(C)C	REAL300012049775	0	54	0.0	-81.56	424.29	11.02	-70.54
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CC=C3F)(C1)C2	REAL300012049776	0	34	0.0	-74.73	306.09	9.17	-65.56
COC1=CC(Br)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049777	0	42	0.0	-75.65	354.35	8.30	-67.35
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C=C3F)(C1)C2	REAL300012049778	0	34	0.0	-77.61	307.31	9.16	-68.45
COC1=CC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2C=C1	REAL300012049779	0	44	0.0	-81.86	355.69	10.06	-71.80
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CS3)(C1)C2	REAL300012049780	0	31	0.0	-76.81	292.13	8.23	-68.58
CCCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OCC	REAL300012049781	0	54	0.0	-82.02	425.89	11.12	-70.90
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CSC(F)F)O3)(C1)C2	REAL300012049782	0	38	0.0	-78.90	340.77	9.09	-69.81
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(Br)=C3)(C1)C2	REAL300012049784	0	34	0.0	-84.44	307.24	9.16	-75.28
CC1=CC=C(COC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2)C=C1	REAL300012049785	0	51	0.0	-79.54	413.11	12.47	-67.07
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCCCC4)C=C3)(C1)C2	REAL300012049786	0	49	0.0	-75.85	373.38	9.78	-66.07
CCCCCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012049787	0	53	0.0	-76.25	417.58	11.88	-64.37
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1SC	REAL300012049788	0	42	0.0	-82.27	349.15	8.85	-73.42
N#CCCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012049789	0	45	0.0	-83.23	373.94	10.05	-73.18
CCCCCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OC	REAL300012049790	0	54	0.0	-81.99	425.33	10.99	-71.00
CCC(C)OC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OC	REAL300012049791	0	51	0.0	-81.83	399.52	10.04	-71.79
CCCCCCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012049792	0	56	0.0	-76.19	439.08	12.66	-63.53
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OCCCC#N	REAL300012049793	0	49	0.0	-92.60	403.19	9.94	-82.66
C=C(C)COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OC	REAL300012049794	0	49	0.0	-82.90	393.15	9.98	-72.92
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OCCC(C)C	REAL300012049795	0	54	0.0	-81.99	421.40	10.73	-71.26
C=CCC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC(OC)=C1O	REAL300012049796	0	46	0.0	-82.53	375.31	7.65	-74.88
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OCC(F)(F)F	REAL300012049797	0	48	0.0	-85.91	402.26	10.01	-75.90
O=C([O-])C12CC(C[NH2+]CC3=NC(C4=CC=CC=C4)=CS3)(C1)C2	REAL300012049798	0	40	0.0	-77.28	343.39	9.28	-68.00
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCOCC4)C(F)=C3)(C1)C2	REAL300012049799	0	47	0.0	-83.15	374.28	7.64	-75.51
C=CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300012049800	0	42	0.0	-82.05	360.73	9.86	-72.19
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CC=CC=C4)S3)(C1)C2	REAL300012049801	0	40	0.0	-79.18	345.26	9.53	-69.65
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C2OC(C)CC2=C1	REAL300012049802	0	46	0.0	-73.69	366.64	8.36	-65.33
CC1(C)CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CC=C2O1	REAL300012049803	0	45	0.0	-80.03	357.84	9.75	-70.28
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CC=CS4)=N3)(C1)C2	REAL300012049804	0	37	0.0	-75.55	336.71	8.33	-67.22
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC(C(F)(F)F)=C3)(C1)C2	REAL300012049805	0	37	0.0	-83.84	336.02	10.03	-73.81
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CC(C(F)(F)F)=C3)(C1)C2	REAL300012049806	0	37	0.0	-83.90	340.59	10.12	-73.78
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C=C3Cl)(C1)C2	REAL300012049807	0	34	0.0	-75.72	314.44	9.56	-66.16
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(Br)=C1	REAL300012049808	0	37	0.0	-70.29	317.27	9.76	-60.53
CC(C)COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049809	0	47	0.0	-77.84	373.40	10.22	-67.62
COCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049810	0	45	0.0	-80.12	365.42	8.00	-72.12
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012049811	0	49	0.0	-81.68	408.98	12.20	-69.48
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)F)C(Cl)=C3)(C1)C2	REAL300012049812	0	38	0.0	-83.05	335.52	8.63	-74.42
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CC=CC([N+](=O)[O-])=C4)=N3)(C1)C2	REAL300012049813	0	42	0.0	-83.30	373.28	9.97	-73.33
COC1=CC2=C(C=C1C[NH2+]CC13CC(C(=O)[O-])(C1)C3)OCO2	REAL300012049814	0	41	0.0	-76.91	334.60	6.52	-70.39
CC(C)COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012049815	0	47	0.0	-76.16	373.19	10.23	-65.93
O=C([O-])C12CC(C[NH2+]CC3=CN=CC(Br)=C3)(C1)C2	REAL300012049816	0	33	0.0	-82.30	296.61	7.32	-74.98
CC1(C)CC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=C2O1	REAL300012049817	0	45	0.0	-70.60	357.71	9.73	-60.87
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CC4=C3OCC4)(C1)C2	REAL300012049818	0	39	0.0	-73.40	337.29	8.97	-64.43
CC1=C(Br)SC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012049819	0	34	0.0	-78.19	311.93	8.94	-69.25
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C4=CC=CN=C34)(C1)C2	REAL300012049820	0	39	0.0	-74.70	338.58	9.54	-65.16
COC1=CC=C(OC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2)C=C1	REAL300012049821	0	49	0.0	-80.58	400.35	10.71	-69.87
CC1=CC(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2)=CC(C)=C1	REAL300012049822	0	50	0.0	-78.83	397.46	13.24	-65.59
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1N1C=NC=N1	REAL300012049823	0	43	0.0	-87.24	354.52	12.04	-75.20
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC(F)F)C=C3)(C1)C2	REAL300012049824	0	41	0.0	-83.11	344.80	9.05	-74.06
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049825	0	44	0.0	-83.52	375.64	10.83	-72.69
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC4=CC=C(F)C=C4)=C3)(C1)C2	REAL300012049826	0	48	0.0	-78.74	398.13	11.85	-66.89
O=C([O-])C12CC(C[NH2+]CC3=CC=C(SC4=CC=CC=C4)C=C3)(C1)C2	REAL300012049827	0	45	0.0	-82.23	381.03	12.60	-69.63
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049828	0	45	0.0	-81.12	354.52	8.25	-72.87
O=C([O-])C12CC(C[NH2+]CC3=NC(C4=CC(Cl)=CC=C4Cl)=CS3)(C1)C2	REAL300012049829	0	40	0.0	-76.67	372.46	10.70	-65.97
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049830	0	40	0.0	-84.40	344.49	9.38	-75.02
CSC1=CC(Br)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049831	0	38	0.0	-73.62	337.45	10.05	-63.57
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4=CC=C(F)C=C4)N=C3)(C1)C2	REAL300012049832	0	44	0.0	-82.78	371.09	10.24	-72.54
CC1CCC2=C(C1)SC(C[NH2+]CC13CC(C(=O)[O-])(C1)C3)=N2	REAL300012049833	0	43	0.0	-73.93	349.55	8.86	-65.07
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)F)C(Br)=C3)(C1)C2	REAL300012049834	0	38	0.0	-82.88	339.91	8.75	-74.13
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4=CC=C(C(F)(F)F)C=C4)N=C3)(C1)C2	REAL300012049835	0	47	0.0	-83.34	403.42	11.17	-72.17
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049836	0	48	0.0	-73.58	382.71	11.29	-62.29
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049837	0	47	0.0	-77.35	377.88	9.52	-67.83
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC4CC4)C=C3)(C1)C2	REAL300012049838	0	45	0.0	-78.37	363.47	10.31	-68.06
COC1=CC(Cl)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300012049839	0	38	0.0	-75.59	338.64	8.79	-66.80
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CC=CS4)S3)(C1)C2	REAL300012049840	0	37	0.0	-79.15	337.13	8.60	-70.55
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CSC=C4)S3)(C1)C2	REAL300012049841	0	37	0.0	-78.99	336.60	8.47	-70.52
CC1=CC=C(C2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)S2)O1	REAL300012049842	0	40	0.0	-81.31	349.95	8.43	-72.88
CC1=CC(Br)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049843	0	37	0.0	-78.60	316.56	9.74	-68.86
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C(Br)=C3)(C1)C2	REAL300012049844	0	34	0.0	-83.19	316.36	9.58	-73.61
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3F)(C1)C2	REAL300012049845	0	43	0.0	-79.72	354.31	10.21	-69.51
O=C([O-])C12CC(C[NH2+]CC3=NC=C(Br)C=C3Br)(C1)C2	REAL300012049846	0	33	0.0	-70.65	314.68	7.78	-62.87
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)OC4=CC=CC=C43)(C1)C2	REAL300012049847	0	37	0.0	-76.08	324.54	9.46	-66.62
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C=C3Br)(C1)C2	REAL300012049848	0	34	0.0	-74.90	313.46	9.56	-65.34
COC1=C(Br)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049849	0	38	0.0	-76.68	330.30	8.57	-68.11
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049850	0	44	0.0	-83.61	380.20	10.93	-72.68
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C(F)C=C4)O3)(C1)C2	REAL300012049851	0	41	0.0	-79.84	347.09	10.45	-69.39
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Br)=C3)(C1)C2	REAL300012049852	0	34	0.0	-78.48	301.52	9.12	-69.36
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4=CC=CC=C4Cl)N=C3)(C1)C2	REAL300012049853	0	44	0.0	-81.27	377.29	10.64	-70.63
CCN(CC)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049854	0	48	0.0	-73.81	375.57	10.81	-63.00
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C=C3)(C1)C2	REAL300012049855	0	34	0.0	-80.05	301.73	9.13	-70.92
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC(OC)=C1OC	REAL300012049856	0	46	0.0	-86.62	372.34	7.62	-79.00
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C=C3Cl)(C1)C2	REAL300012049857	0	34	0.0	-75.62	309.87	9.45	-66.17
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCOCC4)C=C3)(C1)C2	REAL300012049858	0	47	0.0	-77.97	364.44	7.33	-70.64
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Cl)=C3Cl)(C1)C2	REAL300012049859	0	34	0.0	-75.21	307.49	9.44	-65.77
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C(Cl)=C3)(C1)C2	REAL300012049860	0	34	0.0	-83.25	312.15	9.48	-73.77
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049861	0	55	0.0	-75.12	430.50	13.63	-61.49
CCCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049862	0	47	0.0	-78.11	374.79	10.31	-67.80
CC(C)CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049863	0	50	0.0	-78.06	392.36	10.83	-67.23
CCCCCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049864	0	53	0.0	-77.88	417.79	11.87	-66.01
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC4=CC=CC=C4)=C3)(C1)C2	REAL300012049865	0	45	0.0	-79.05	369.16	11.35	-67.70
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049866	0	45	0.0	-82.09	360.83	8.62	-73.47
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(OC)=C1OC	REAL300012049867	0	46	0.0	-79.73	366.75	7.54	-72.19
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OCC1=CC=CC=C1	REAL300012049868	0	52	0.0	-83.46	420.74	11.68	-71.78
COC1=CC=C(Br)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049869	0	38	0.0	-72.71	329.88	8.48	-64.23
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC(Br)=C1O	REAL300012049870	0	39	0.0	-84.66	341.11	6.27	-78.39
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4)C=C3)(C1)C2	REAL300012049871	0	44	0.0	-78.52	354.65	11.92	-66.60
COC1=CC(OC)=C(OC)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049872	0	46	0.0	-76.58	367.05	7.07	-69.51
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N(C4=CC=CC=C4)C4=CC=CC=C4)C=C3)(C1)C2	REAL300012049873	0	56	0.0	-80.52	453.11	15.66	-64.86
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC4=CC=CC=C4)=C3)(C1)C2	REAL300012049874	0	48	0.0	-77.65	391.50	11.79	-65.86
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3Br)(C1)C2	REAL300012049875	0	34	0.0	-70.31	295.82	9.09	-61.22
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=C(Br)C=C4)N=C3)(C1)C2	REAL300012049876	0	41	0.0	-83.78	360.56	10.34	-73.44
O=C([O-])C12CC(C[NH2+]CC3=CN(CC(F)(F)F)N=C3)(C1)C2	REAL300012049877	0	37	0.0	-84.24	322.45	7.68	-76.56
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3I)(C1)C2	REAL300012049878	0	34	0.0	-68.99	301.12	9.54	-59.45
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCCCC4)C([N+](=O)[O-])=C3)(C1)C2	REAL300012049879	0	51	0.0	-90.96	403.45	11.75	-79.21
CN(CCC#N)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049880	0	46	0.0	-79.37	374.35	10.36	-69.01
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1OC	REAL300012049881	0	45	0.0	-74.56	361.90	8.76	-65.80
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OCC(N)=O	REAL300012049882	0	46	0.0	-95.92	377.77	5.66	-90.26
CCNC(=O)COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049883	0	52	0.0	-92.54	420.98	7.95	-84.59
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC2=C1OCO2	REAL300012049884	0	41	0.0	-87.50	335.82	6.45	-81.05
COC1=CC2=C(C=C1C[NH2+]CC13CC(C(=O)[O-])(C1)C3)OC(C)C2	REAL300012049885	0	46	0.0	-72.65	365.48	8.46	-64.19
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC(OC)=C1OCC(N)=O	REAL300012049886	0	50	0.0	-95.85	410.93	5.46	-90.39
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC(Cl)=C1OCC(N)=O	REAL300012049887	0	46	0.0	-94.92	397.52	6.31	-88.61
CCN(C(C)=O)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CS1	REAL300012049888	0	43	0.0	-77.59	358.36	8.33	-69.26
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(I)=C3)(C1)C2	REAL300012049889	0	34	0.0	-78.21	308.01	9.60	-68.61
O=C([O-])C12CC(C[NH2+]CC3=CC=C(I)C=C3)(C1)C2	REAL300012049890	0	34	0.0	-79.89	308.22	9.60	-70.29
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CC(Br)=C3)(C1)C2	REAL300012049891	0	34	0.0	-81.26	322.82	9.73	-71.53
CS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049892	0	40	0.0	-88.25	341.13	6.02	-82.23
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)C=C3)(C1)C2	REAL300012049893	0	44	0.0	-79.57	371.37	12.44	-67.13
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC4=CC=CC=N4)=C3)(C1)C2	REAL300012049894	0	47	0.0	-80.13	384.47	10.09	-70.04
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C=N3)(C1)C2	REAL300012049895	0	33	0.0	-77.71	296.73	7.28	-70.43
O=C([O-])C12CC(C[NH2+]CC3=CN=C(N4CCOCC4)S3)(C1)C2	REAL300012049896	0	43	0.0	-79.73	353.90	5.82	-73.91
CC1=NN(C)C2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C12	REAL300012049897	0	42	0.0	-89.26	346.50	8.23	-81.03
CC(=O)N(C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CS1)C1=CC=C(F)C=C1	REAL300012049898	0	47	0.0	-77.50	407.16	10.88	-66.62
O=C([O-])C12CC(C[NH2+]CC3=CN4C=C(Cl)C=CC4=N3)(C1)C2	REAL300012049899	0	37	0.0	-77.13	324.13	9.52	-67.61
CC1=CC=CN2C=C(COC3=CC=C(C[NH2+]CC45CC(C(=O)[O-])(C4)C5)C=C3)N=C12	REAL300012049900	0	54	0.0	-84.32	439.04	12.91	-71.41
CCOCC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OC	REAL300012049901	0	48	0.0	-76.49	384.02	8.71	-67.78
O=C([O-])C12CC(C[NH2+]CC3=NC=CN3CC(F)(F)F)(C1)C2	REAL300012049902	0	37	0.0	-79.20	317.51	8.05	-71.15
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CC=C5OCOC5=C4)=N3)(C1)C2	REAL300012049903	0	43	0.0	-79.74	371.33	7.96	-71.78
O=C([O-])C12CC(C[NH2+]CC3=CC(C(F)(F)F)=CC=C3Br)(C1)C2	REAL300012049904	0	37	0.0	-73.98	334.41	10.08	-63.90
O=C([O-])C12CC(C[NH2+]CC3=CSC=C3Br)(C1)C2	REAL300012049905	0	31	0.0	-71.29	288.79	8.01	-63.28
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(Br)=C3)(C1)C2	REAL300012049906	0	34	0.0	-82.38	308.14	9.18	-73.20
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(F)=C3Br)(C1)C2	REAL300012049907	0	34	0.0	-75.43	301.60	9.13	-66.30
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Br)=C3F)(C1)C2	REAL300012049908	0	34	0.0	-77.52	305.59	9.15	-68.37
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(C)=C1OC	REAL300012049909	0	45	0.0	-80.82	356.39	8.47	-72.35
O=C([O-])C12CC(C[NH2+]CC3=CSC(Cl)=C3Cl)(C1)C2	REAL300012049910	0	31	0.0	-76.07	301.41	8.50	-67.57
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C(F)(F)F)S3)(C1)C2	REAL300012049911	0	33	0.0	-85.64	306.30	6.92	-78.72
CS(=O)(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012049912	0	40	0.0	-87.10	340.94	6.02	-81.08
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC2=CC=CC=C21	REAL300012049913	0	44	0.0	-80.92	354.91	10.11	-70.81
COC1=CC=CC2=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=CC=C12	REAL300012049914	0	44	0.0	-80.01	349.58	10.00	-70.01
O=C([O-])C12CC(C[NH2+]CC3=NC=C(C(F)(F)F)S3)(C1)C2	REAL300012049915	0	33	0.0	-80.36	305.58	6.82	-73.54
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(Br)=C1	REAL300012049916	0	38	0.0	-73.06	326.20	8.34	-64.72
CC1=CC(Br)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)S1	REAL300012049917	0	34	0.0	-70.23	311.78	8.95	-61.28
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012049918	0	49	0.0	-80.73	389.93	11.21	-69.52
CN1C(=O)CCC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CC=C21	REAL300012049919	0	45	0.0	-86.39	356.93	9.43	-76.96
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CC=C(Cl)C=C4)S3)(C1)C2	REAL300012049920	0	40	0.0	-80.13	361.98	10.05	-70.08
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CC=CC=C4F)S3)(C1)C2	REAL300012049921	0	40	0.0	-81.85	349.77	9.77	-72.08
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC(OC)=C1OCC(F)F	REAL300012049922	0	49	0.0	-90.60	407.21	8.87	-81.73
O=C([O-])C12CC(C[NH2+]CC3=CC=NC4=C(Br)C=CC=C34)(C1)C2	REAL300012049923	0	39	0.0	-88.97	337.34	9.49	-79.48
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CCCC4)S3)(C1)C2	REAL300012049924	0	43	0.0	-76.83	352.13	9.15	-67.68
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=C(F)C=CC=C4F)S3)(C1)C2	REAL300012049925	0	40	0.0	-80.50	353.42	9.75	-70.75
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CC=CO4)S3)(C1)C2	REAL300012049926	0	37	0.0	-81.34	328.03	7.61	-73.73
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C(Cl)=C3)(C1)C2	REAL300012049927	0	34	0.0	-83.37	316.36	9.58	-73.79
O=C([O-])C12CC(C[NH2+]CC3=CN=C(CCC4=CC=CC=C4)S3)(C1)C2	REAL300012049928	0	46	0.0	-79.11	389.82	11.03	-68.08
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)(F)F)C(Br)=C3)(C1)C2	REAL300012049929	0	38	0.0	-84.39	346.86	8.96	-75.43
CN1C=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2)C=N1	REAL300012049930	0	44	0.0	-81.49	360.56	9.80	-71.69
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4=CC=CC(F)=C4)C=C3)(C1)C2	REAL300012049931	0	45	0.0	-81.69	375.54	11.42	-70.27
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300012049932	0	48	0.0	-84.37	388.81	10.93	-73.44
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CCCO4)S3)(C1)C2	REAL300012049933	0	41	0.0	-80.59	344.50	6.72	-73.87
CC1=CC=CC=C1N1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)N=N1	REAL300012049934	0	43	0.0	-80.61	354.50	9.24	-71.37
CN1N=C(Br)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049935	0	34	0.0	-86.27	302.76	6.56	-79.71
CN1C=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)S2)C=N1	REAL300012049936	0	41	0.0	-79.76	354.19	9.19	-70.57
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OCCCCOC4=C3)(C1)C2	REAL300012049937	0	46	0.0	-81.58	359.51	9.39	-72.19
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(Cl)=C3Cl)(C1)C2	REAL300012049938	0	34	0.0	-80.83	314.15	9.45	-71.38
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4Br)C=C3)(C1)C2	REAL300012049939	0	44	0.0	-78.09	377.03	12.55	-65.54
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=C(C(F)(F)F)C=C4)N=C3)(C1)C2	REAL300012049940	0	44	0.0	-85.16	377.78	10.72	-74.44
CC1=CC(Br)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300012049941	0	37	0.0	-72.13	331.97	10.15	-61.98
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)N(CC4=CC=CC=C4)N=C3)(C1)C2	REAL300012049942	0	44	0.0	-75.62	379.72	10.47	-65.15
COC(=O)C1=C(C)N(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012049943	0	44	0.0	-86.09	357.66	8.97	-77.12
COCCOCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049944	0	48	0.0	-78.99	390.98	8.46	-70.53
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)SC2=C(Cl)C=CC=C12	REAL300012049945	0	40	0.0	-77.94	351.08	11.02	-66.92
O=C([O-])C12CC(C[NH2+]CC3=CNC(C(=O)OCC4=CC=CC=C4)=C3)(C1)C2	REAL300012049946	0	48	0.0	-83.22	403.87	10.91	-72.31
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C=C3I)(C1)C2	REAL300012049947	0	34	0.0	-74.29	308.46	9.57	-64.72
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)(C1)C2	REAL300012049948	0	37	0.0	-88.31	320.04	7.60	-80.71
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CN=C3Cl)(C1)C2	REAL300012049949	0	33	0.0	-77.31	308.48	7.75	-69.56
O=C([O-])C12CC(C[NH2+]CC3=CC(OC(F)F)=CC=C3Br)(C1)C2	REAL300012049950	0	38	0.0	-74.68	335.09	8.66	-66.02
CC1=CC=C(C2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)S2)C=C1C	REAL300012049951	0	46	0.0	-79.21	383.63	10.73	-68.48
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049952	0	44	0.0	-86.49	363.27	10.46	-76.03
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049953	0	44	0.0	-83.33	374.63	11.14	-72.19
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049954	0	44	0.0	-83.79	370.99	11.00	-72.79
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049955	0	47	0.0	-82.32	380.31	10.98	-71.34
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049956	0	44	0.0	-81.19	380.14	10.93	-70.26
COC1=CC(OC)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1F	REAL300012049957	0	42	0.0	-77.32	344.26	7.24	-70.08
COC1=CC(F)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049958	0	42	0.0	-78.40	343.45	7.76	-70.64
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC4=CC=C(F)C=C4F)=C3)(C1)C2	REAL300012049959	0	48	0.0	-79.09	401.63	12.02	-67.07
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049960	0	47	0.0	-82.47	380.31	10.97	-71.50
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(C)=C1	REAL300012049961	0	47	0.0	-77.04	368.10	10.15	-66.89
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC(Br)=CC=C4O3)(C1)C2	REAL300012049962	0	37	0.0	-81.24	329.40	9.65	-71.59
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC4CC4)=C3F)(C1)C2	REAL300012049963	0	42	0.0	-76.71	346.35	9.51	-67.20
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2C1	REAL300012049964	0	58	0.0	-82.47	446.35	11.69	-70.78
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CC=CC(Cl)=C4)S3)(C1)C2	REAL300012049965	0	40	0.0	-79.48	362.20	10.04	-69.44
O=C([O-])C12CC(C[NH2+]CC3=CSC(C(F)(F)F)=C3)(C1)C2	REAL300012049966	0	34	0.0	-82.27	311.04	8.64	-73.63
CC(C)OC1=CC(Cl)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300012049967	0	44	0.0	-75.20	378.20	10.35	-64.85
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4CCOC4)C=C3)(C1)C2	REAL300012049968	0	46	0.0	-80.30	365.77	8.15	-72.15
CN(C)C1=CC(F)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1F	REAL300012049969	0	42	0.0	-78.13	346.68	8.07	-70.06
COC(=O)C1=C2CCCCN2C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012049970	0	48	0.0	-86.57	381.93	10.25	-76.32
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC(C(F)(F)F)=C1	REAL300012049971	0	41	0.0	-81.85	348.79	8.82	-73.03
C=CCOC1=C(Cl)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049972	0	46	0.0	-85.80	393.70	9.87	-75.93
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC1CC1	REAL300012049973	0	46	0.0	-83.71	370.22	9.37	-74.34
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC=C3I)(C1)C2	REAL300012049974	0	34	0.0	-70.35	317.71	10.06	-60.29
CN1N=C(C(F)(F)F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012049975	0	37	0.0	-89.19	322.21	7.04	-82.15
COCC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012049976	0	48	0.0	-80.37	382.01	8.71	-71.66
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)(C1)C2	REAL300012049977	0	41	0.0	-79.16	347.80	11.12	-68.04
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3CCC3=CC=CC=C3)(C1)C2	REAL300012049978	0	47	0.0	-83.62	379.39	10.81	-72.81
O=C([O-])C12CC(C[NH2+]CC3=CC(C(F)(F)F)=C(Br)C=C3F)(C1)C2	REAL300012049979	0	37	0.0	-81.44	340.23	10.05	-71.39
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C3)(C1)C2	REAL300012049980	0	43	0.0	-83.07	373.12	10.88	-72.19
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1C(C)(C)C	REAL300012049981	0	50	0.0	-77.20	380.91	10.49	-66.71
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=NC=C1Br	REAL300012049982	0	36	0.0	-77.33	315.25	7.86	-69.47
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C(Br)C=C1F	REAL300012049983	0	37	0.0	-75.24	322.56	9.79	-65.45
O=C([O-])C12CC(C[NH2+]CC3=C(O)C=CC=C3Br)(C1)C2	REAL300012049984	0	35	0.0	-69.05	308.22	6.20	-62.85
CN1C=C(C2=NC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CS2)C=N1	REAL300012049985	0	40	0.0	-78.46	349.94	7.09	-71.37
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)(C1)C2	REAL300012049986	0	40	0.0	-84.51	339.55	8.41	-76.10
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(Br)=N1	REAL300012049987	0	34	0.0	-77.39	303.91	6.79	-70.60
O=C([O-])C12CC(C[NH2+]CC3=NC=C(Br)C=C3F)(C1)C2	REAL300012049988	0	33	0.0	-73.10	301.88	7.30	-65.80
COC1=CC(Cl)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300012049989	0	42	0.0	-76.50	350.77	8.18	-68.32
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CC(F)(F)F)C=C3)(C1)C2	REAL300012049990	0	40	0.0	-78.47	341.42	10.28	-68.19
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012049991	0	54	0.0	-81.53	428.13	8.95	-72.58
CCOC(=O)C1=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C(C)N1	REAL300012049992	0	47	0.0	-81.14	380.30	8.89	-72.25
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=C4)C(Cl)=C3)(C1)C2	REAL300012049993	0	44	0.0	-81.45	373.28	12.48	-68.97
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C(F)=C3F)(C1)C2	REAL300012049994	0	34	0.0	-83.40	312.90	9.20	-74.20
O=C([O-])C12CC(C[NH2+]CC3=C(Br)SC=C3)(C1)C2	REAL300012049995	0	31	0.0	-71.60	288.44	8.15	-63.45
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C(F)C=C1OC	REAL300012049996	0	45	0.0	-78.38	365.30	8.68	-69.70
O=C([O-])C12CC(C[NH2+]CC3=CC=CN=C3Br)(C1)C2	REAL300012049997	0	33	0.0	-76.08	290.94	7.20	-68.88
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C(F)C=C1Br	REAL300012049998	0	38	0.0	-79.94	334.84	8.51	-71.43
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Br)=C3Cl)(C1)C2	REAL300012049999	0	34	0.0	-75.36	311.71	9.54	-65.82
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(=O)N4CCCC4)C=C3)(C1)C2	REAL300012050000	0	48	0.0	-89.11	376.44	9.51	-79.60
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)F)C=C3F)(C1)C2	REAL300012050001	0	38	0.0	-79.12	325.26	8.10	-71.02
CC(C)(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012050002	0	47	0.0	-75.72	360.63	9.65	-66.07
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(C)=C1Br	REAL300012050003	0	40	0.0	-77.43	331.36	10.21	-67.22
CC1=CC=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1Br	REAL300012050004	0	36	0.0	-68.01	311.87	7.76	-60.25
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012050005	0	51	0.0	-80.97	402.51	8.74	-72.23
CN1N=C2CCSCC2=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050008	0	42	0.0	-85.68	344.86	8.17	-77.51
CC1=CC(OC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C(Cl)=C2)=CC=C1F	REAL300012050009	0	48	0.0	-78.02	407.69	12.53	-65.49
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(Cl)=C1	REAL300012050010	0	51	0.0	-77.49	425.22	13.32	-64.17
CC1=C(Br)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)S1	REAL300012050011	0	34	0.0	-76.29	313.02	9.00	-67.29
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=C(Cl)C=C4)=C3)(C1)C2	REAL300012050012	0	44	0.0	-80.31	371.38	12.43	-67.88
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(F)=C3I)(C1)C2	REAL300012050013	0	34	0.0	-73.87	306.72	9.58	-64.29
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1C	REAL300012050014	0	47	0.0	-77.87	373.16	10.28	-67.59
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1COC1=CC=CC=C1	REAL300012050015	0	52	0.0	-78.48	418.17	11.23	-67.25
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1CN1C=CC=N1	REAL300012050016	0	48	0.0	-79.40	392.44	9.49	-69.91
COC1=CC=C(CN2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)N=N2)C=C1	REAL300012050017	0	47	0.0	-85.08	387.90	8.15	-76.93
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(F)=C1OC	REAL300012050018	0	42	0.0	-80.40	348.48	7.84	-72.56
COC(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(F)=C1	REAL300012050019	0	40	0.0	-82.12	340.78	9.19	-72.93
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC4=CC=CC=N4)=C3)(C1)C2	REAL300012050020	0	44	0.0	-80.56	367.08	8.88	-71.68
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(COC4=CC=CC=C4)=C3)(C1)C2	REAL300012050021	0	48	0.0	-78.56	391.51	11.78	-66.78
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=C(Br)S3)(C1)C2	REAL300012050022	0	31	0.0	-80.70	312.51	8.91	-71.79
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CC=C(Cl)C=C4)=N3)(C1)C2	REAL300012050023	0	40	0.0	-76.69	362.01	9.81	-66.88
COC1=CC=C(C2=NC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CS2)C=C1	REAL300012050024	0	44	0.0	-76.82	374.52	8.61	-68.21
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012050026	0	42	0.0	-89.26	353.62	5.24	-84.02
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCCN4C=CN=C4)C(Cl)=C3)(C1)C2	REAL300012050027	0	48	0.0	-86.00	409.71	11.89	-74.11
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=CC4=CC=CN=C43)(C1)C2	REAL300012050028	0	39	0.0	-65.47	333.98	9.44	-56.03
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)F)S3)(C1)C2	REAL300012050029	0	34	0.0	-81.48	311.29	8.81	-72.67
O=C([O-])C12CC(C[NH2+]CC3=NC4=CC=C(Br)C=C4S3)(C1)C2	REAL300012050030	0	36	0.0	-78.54	333.20	8.57	-69.97
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050031	0	44	0.0	-76.69	362.68	11.13	-65.56
O=C([O-])C12CC(C[NH2+]CC3=CC=C4C(=C3)CCN4CC3=CC=CC=C3)(C1)C2	REAL300012050032	0	53	0.0	-78.78	417.49	12.01	-66.77
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=CC=C4Br)N=N3)(C1)C2	REAL300012050033	0	40	0.0	-84.66	349.46	8.99	-75.67
O=C([O-])C12CC(C[NH2+]CC3=CN4C=CC(Br)=CC4=N3)(C1)C2	REAL300012050034	0	37	0.0	-79.03	328.73	9.63	-69.40
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050035	0	45	0.0	-79.06	367.08	9.90	-69.16
COCC1=CC=CC=C1C=C(C)C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050036	0	48	0.0	-79.25	379.52	10.12	-69.13
COC1=CC=C(N2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=N2)C=C1	REAL300012050037	0	45	0.0	-84.10	368.76	9.01	-75.09
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012050038	0	49	0.0	-75.22	402.26	11.91	-63.31
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)(C1)C2	REAL300012050039	0	36	0.0	-84.73	319.85	6.47	-78.26
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCCCC4)C(Br)=C3)(C1)C2	REAL300012050040	0	49	0.0	-79.62	397.98	10.96	-68.66
O=C([O-])C12CC(C[NH2+]CC3=CC=NC=C3Br)(C1)C2	REAL300012050041	0	33	0.0	-75.86	291.21	7.31	-68.55
CS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)S1	REAL300012050042	0	37	0.0	-87.58	333.32	5.19	-82.39
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(F)=C1	REAL300012050043	0	39	0.0	-86.78	340.19	3.49	-83.29
CC1=C(Br)C=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050044	0	36	0.0	-81.25	308.71	7.86	-73.39
COC1=CC=C(C2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CC3=C2OCO3)C=N1	REAL300012050045	0	50	0.0	-89.58	414.16	7.54	-82.04
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3C3CCOCC3)(C1)C2	REAL300012050046	0	45	0.0	-85.63	356.10	7.13	-78.50
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4CCOC4)N=N3)(C1)C2	REAL300012050047	0	44	0.0	-83.90	354.57	5.90	-78.00
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCCN4CCOCC4)C=C3)(C1)C2	REAL300012050048	0	54	0.0	-79.52	420.46	7.37	-72.15
CC(C)(C)OC(=O)NC(C[NH2+]CC12CC(C(=O)[O-])(C1)C2)CC(F)F	REAL300012050049	0	50	0.0	-86.90	390.66	7.34	-79.56
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4CCCO4)N=N3)(C1)C2	REAL300012050050	0	44	0.0	-80.98	355.24	6.10	-74.88
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)(C1)C2	REAL300012050051	0	39	0.0	-89.45	327.65	8.95	-80.50
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012050052	0	39	0.0	-89.51	334.62	3.46	-86.05
CN1C=CC(C2=NC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CS2)=N1	REAL300012050053	0	40	0.0	-79.51	349.85	6.98	-72.53
CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1Br	REAL300012050054	0	37	0.0	-70.59	314.92	9.62	-60.97
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC4=CC=C(F)C=C4)=C3)(C1)C2	REAL300012050055	0	45	0.0	-81.38	375.37	11.41	-69.97
CN(C)C(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012050056	0	44	0.0	-82.08	352.05	8.35	-73.73
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C2CCCCC2=N1	REAL300012050057	0	46	0.0	-81.58	352.81	9.69	-71.89
O=C([O-])C12CC(C[NH2+]CC3=CSC(C(F)(F)F)=N3)(C1)C2	REAL300012050058	0	33	0.0	-80.29	305.88	6.62	-73.67
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CC=C3Br)(C1)C2	REAL300012050059	0	34	0.0	-71.85	316.99	9.71	-62.14
COC(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1C	REAL300012050060	0	43	0.0	-85.28	351.08	9.70	-75.58
CC1=C(Cl)C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1Cl	REAL300012050061	0	37	0.0	-75.31	325.93	9.96	-65.35
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C(C)C=C1I	REAL300012050062	0	40	0.0	-78.26	340.41	10.75	-67.51
N#CC1=CC=C(Br)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012050063	0	35	0.0	-78.34	316.65	9.48	-68.86
CN(C)C(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012050064	0	44	0.0	-88.63	351.27	8.34	-80.29
CCNC(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012050065	0	44	0.0	-87.43	358.40	7.63	-79.80
COC1=CC=C2SC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CC2=C1	REAL300012050066	0	41	0.0	-78.97	347.17	9.34	-69.63
CCN(CC)C(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012050067	0	50	0.0	-88.52	391.68	10.22	-78.30
CCN1CCC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CC=C21	REAL300012050068	0	46	0.0	-77.06	359.00	9.10	-67.96
CCN(C)C(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012050069	0	47	0.0	-88.14	373.30	9.36	-78.78
CSC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300012050070	0	38	0.0	-82.01	335.46	9.97	-72.04
CC1=NN(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C(C)=C2)C=C1	REAL300012050071	0	47	0.0	-84.29	375.35	10.91	-73.38
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)C(F)(F)F)C=C3)(C1)C2	REAL300012050072	0	40	0.0	-82.88	351.64	10.38	-72.50
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050073	0	44	0.0	-84.03	371.30	10.74	-73.29
CCC1=CC(Br)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)S1	REAL300012050074	0	37	0.0	-70.22	333.27	9.73	-60.49
CC1=NN(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2)C=C1Cl	REAL300012050075	0	44	0.0	-84.88	377.35	10.78	-74.10
COC(=O)C1=CC2=C(C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)O2)N1	REAL300012050076	0	41	0.0	-86.54	349.03	7.29	-79.25
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC(Br)=C3)(C1)C2	REAL300012050077	0	34	0.0	-81.34	318.46	9.62	-71.72
COC1=CC=CC(C2=CSC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=N2)=C1	REAL300012050078	0	44	0.0	-79.17	373.01	8.57	-70.60
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012050079	0	54	0.0	-81.83	428.34	8.96	-72.87
COC(=O)C1=C2COCCN2C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012050080	0	46	0.0	-88.41	373.65	7.87	-80.54
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(=O)N4CCCCC4)C=C3)(C1)C2	REAL300012050081	0	51	0.0	-87.66	395.99	10.45	-77.21
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050082	0	44	0.0	-84.15	351.21	11.49	-72.66
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)F)C(Cl)=C3Cl)(C1)C2	REAL300012050083	0	37	0.0	-83.21	343.28	10.31	-72.90
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(Br)=C1	REAL300012050084	0	39	0.0	-84.18	350.91	4.01	-80.17
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CCOCC4)O3)(C1)C2	REAL300012050085	0	44	0.0	-81.30	352.72	4.96	-76.34
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(Br)=C3F)(C1)C2	REAL300012050086	0	34	0.0	-83.15	312.32	9.18	-73.97
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4=CC=CC=C4)N=N3)(C1)C2	REAL300012050087	0	43	0.0	-82.71	358.39	8.85	-73.86
CC(C)(C)OC(=O)N1CCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)CC1	REAL300012050088	0	54	0.0	-82.71	404.14	9.54	-73.17
CC1=CC(Br)=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050089	0	36	0.0	-76.35	313.61	7.81	-68.54
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(S(=O)(=O)C(F)F)=C3)(C1)C2	REAL300012050090	0	40	0.0	-85.03	354.13	6.42	-78.61
CC1OC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2C1C	REAL300012050091	0	45	0.0	-79.65	357.89	9.73	-69.92
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OC(F)F	REAL300012050092	0	41	0.0	-76.31	339.77	8.83	-67.48
CC1=NC(Cl)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1Br	REAL300012050093	0	36	0.0	-76.95	326.88	8.27	-68.68
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)NN=C1C(F)(F)F	REAL300012050094	0	37	0.0	-88.09	315.80	6.37	-81.72
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2)O1	REAL300012050095	0	51	0.0	-85.07	429.32	10.69	-74.38
CC1=C(Br)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C(C)S1	REAL300012050096	0	37	0.0	-70.66	327.87	9.40	-61.26
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)(F)F)C=C3F)(C1)C2	REAL300012050097	0	38	0.0	-79.52	332.00	8.32	-71.20
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C(F)(F)C(F)(F)F)=C3)(C1)C2	REAL300012050098	0	40	0.0	-80.98	351.42	10.38	-70.60
CC1=NC=CN1C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(C)=C1	REAL300012050099	0	47	0.0	-85.42	375.02	11.58	-73.84
CC1=C(C)N(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2)C=N1	REAL300012050100	0	47	0.0	-87.16	381.28	12.24	-74.92
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4CC4)C(C4CC4)=C3)(C1)C2	REAL300012050101	0	48	0.0	-76.07	375.41	12.53	-63.54
CCNC(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012050103	0	44	0.0	-81.46	358.20	7.62	-73.84
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)OC2=CC=C(F)C=C12	REAL300012050104	0	40	0.0	-81.19	334.94	9.73	-71.46
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050105	0	44	0.0	-85.96	360.50	9.62	-76.34
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(Br)C=CC=C4S3)(C1)C2	REAL300012050106	0	37	0.0	-76.85	338.26	10.62	-66.23
O=C([O-])C12CC(C[NH2+]CC3=NN(CC(F)(F)F)C=C3)(C1)C2	REAL300012050107	0	37	0.0	-77.88	322.50	7.59	-70.29
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3C3=C(C=CC=C3)N4)(C1)C2	REAL300012050108	0	44	0.0	-76.40	352.93	10.54	-65.86
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050109	0	47	0.0	-86.68	394.78	11.31	-75.37
CCOC1=CC=C(Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050110	0	41	0.0	-72.13	346.90	9.32	-62.81
O=C([O-])C12CC(C[NH2+]CC3=CN(C4CCCCC4)N=C3)(C1)C2	REAL300012050111	0	47	0.0	-78.02	365.08	9.55	-68.47
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)N(C4=CC=CC=C4)N=C3)(C1)C2	REAL300012050112	0	41	0.0	-77.82	354.33	9.98	-67.84
CN(CCO)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300012050113	0	45	0.0	-79.83	359.81	6.07	-73.76
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=CC=C1C(C)(C)C	REAL300012050114	0	50	0.0	-72.65	373.51	10.23	-62.42
CN1C=C(Br)N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050115	0	34	0.0	-81.90	302.45	7.40	-74.50
CC(C)(OCC1=CC=CC=C1)C1=CC=C(F)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012050116	0	57	0.0	-71.63	450.50	13.32	-58.31
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=C(F)C=C4NC3=O)(C1)C2	REAL300012050117	0	40	0.0	-80.93	337.19	7.62	-73.31
CN1C(=O)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC2=CC=CC=C21	REAL300012050118	0	43	0.0	-76.86	346.92	9.28	-67.58
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=C4OCOC4=C3)(C1)C2	REAL300012050119	0	41	0.0	-83.49	337.54	8.46	-75.03
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012050120	0	44	0.0	-84.15	376.63	9.27	-74.88
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012050121	0	51	0.0	-74.63	402.33	8.75	-65.88
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CSC=C4)N=C3)(C1)C2	REAL300012050122	0	40	0.0	-82.51	343.16	9.28	-73.23
CC(C)(C#N)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)S1	REAL300012050123	0	40	0.0	-80.34	346.91	7.85	-72.49
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CSC=C4)C=C3)(C1)C2	REAL300012050124	0	41	0.0	-78.24	346.00	10.93	-67.31
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C(Br)=C3F)(C1)C2	REAL300012050125	0	34	0.0	-81.97	321.44	9.60	-72.37
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4=CC=CC(Cl)=C4)C=C3)(C1)C2	REAL300012050126	0	45	0.0	-81.41	385.86	11.86	-69.55
COC1=CC=CC(OC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2)=C1	REAL300012050127	0	49	0.0	-84.25	398.64	10.65	-73.60
CCN1CCCC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CC=C21	REAL300012050128	0	49	0.0	-75.88	371.99	9.69	-66.19
CN1N=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1Br	REAL300012050129	0	34	0.0	-74.69	303.16	6.72	-67.97
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012050130	0	49	0.0	-85.36	399.34	11.28	-74.08
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(SC(F)(F)F)=C3)(C1)C2	REAL300012050131	0	38	0.0	-81.48	336.63	9.96	-71.52
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC4=CC=C(Cl)C=C4)=C3)(C1)C2	REAL300012050132	0	48	0.0	-78.05	408.45	12.30	-65.75
O=C([O-])C12CC(C[NH2+]CC3=CC=C4C(=C3)CCC43OCCO3)(C1)C2	REAL300012050133	0	47	0.0	-80.76	373.64	9.17	-71.59
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C=C3OC(F)F)(C1)C2	REAL300012050134	0	38	0.0	-80.74	339.64	8.77	-71.97
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)SC2=CC(F)=CC=C12	REAL300012050135	0	40	0.0	-79.06	341.15	10.60	-68.46
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC4CCC4)=C3)(C1)C2	REAL300012050136	0	48	0.0	-76.35	380.00	10.85	-65.50
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OCCO	REAL300012050137	0	46	0.0	-85.19	372.21	5.54	-79.65
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1OCCO	REAL300012050138	0	46	0.0	-85.03	372.41	5.54	-79.49
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CC=C1OCC1CCCO1	REAL300012050139	0	53	0.0	-85.05	417.91	9.13	-75.92
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CN=C(C(F)F)S4)C=C3)(C1)C2	REAL300012050140	0	43	0.0	-84.58	377.15	10.26	-74.32
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3F)(C1)C2	REAL300012050141	0	37	0.0	-80.34	323.69	9.56	-70.78
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1F	REAL300012050142	0	44	0.0	-83.53	355.75	9.43	-74.10
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(Cl)=C3F)(C1)C2	REAL300012050143	0	34	0.0	-83.08	308.05	9.08	-74.00
CS(=O)(=O)C1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012050144	0	37	0.0	-84.81	332.67	5.10	-79.71
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=CC(Cl)=C4)N=C3)(C1)C2	REAL300012050145	0	41	0.0	-81.58	356.00	10.23	-71.35
CC1=NN(C2CCCC2)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012050146	0	47	0.0	-82.74	368.33	9.58	-73.16
O=C([O-])C12CC(C[NH2+]CC3=C(Br)C=C(C(F)(F)F)S3)(C1)C2	REAL300012050147	0	34	0.0	-76.56	330.54	9.34	-67.22
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=CC(F)=C4)N=C3)(C1)C2	REAL300012050148	0	41	0.0	-82.09	345.68	9.78	-72.31
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050149	0	43	0.0	-80.96	356.33	8.87	-72.09
CC1=NN(C2CCCCC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050150	0	50	0.0	-78.25	384.73	10.14	-68.11
O=C([O-])C12CC(C[NH2+]CC3=CN(C4CCOCC4)N=C3)(C1)C2	REAL300012050151	0	45	0.0	-78.99	355.86	7.15	-71.84
CC1=NN(C2CCOCC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050152	0	48	0.0	-78.94	375.50	7.74	-71.20
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CC4=CC=CN=C43)(C1)C2	REAL300012050153	0	39	0.0	-71.57	341.51	9.63	-61.94
NS(=O)(=O)C1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012050154	0	36	0.0	-85.38	326.19	2.51	-82.87
O=C([O-])C12CC(C[NH2+]CC3=NC=C(Cl)C=C3Cl)(C1)C2	REAL300012050155	0	33	0.0	-71.32	306.07	7.58	-63.74
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(=O)N4CCOCC4)C=C3)(C1)C2	REAL300012050156	0	49	0.0	-88.79	386.59	8.01	-80.78
CC1=NN(C2CCCC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050157	0	47	0.0	-78.19	365.76	9.54	-68.65
CC1=CC(Br)=C(F)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012050158	0	37	0.0	-76.99	326.80	9.82	-67.17
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C(Cl)=C3F)(C1)C2	REAL300012050159	0	34	0.0	-81.97	321.59	9.60	-72.37
COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1Br	REAL300012050160	0	38	0.0	-72.94	325.28	8.40	-64.54
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C(F)=C3F)(C1)C2	REAL300012050161	0	34	0.0	-83.41	308.49	9.09	-74.32
CN1C=C(C2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=C2)C=N1	REAL300012050162	0	44	0.0	-80.67	360.36	9.79	-70.88
COC1=CC(F)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1Br	REAL300012050163	0	38	0.0	-77.24	335.91	8.49	-68.75
O=C([O-])C12CC(C[NH2+]CC3=CC=C([N+](=O)[O-])C(OC4CC4)=C3)(C1)C2	REAL300012050164	0	44	0.0	-99.16	367.01	10.90	-88.26
CC1=CC=C(Br)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050165	0	37	0.0	-76.65	316.32	9.75	-66.90
COC1=NC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)C=C2S1	REAL300012050166	0	40	0.0	-85.36	344.85	6.32	-79.04
O=C([O-])C12CC(C[NH2+]CC3=CC=NC(Br)=C3)(C1)C2	REAL300012050167	0	33	0.0	-85.32	296.58	7.23	-78.09
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(Cl)=C3Cl)(C1)C2	REAL300012050168	0	34	0.0	-77.42	314.52	9.48	-67.94
CC(C)(C)COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012050169	0	50	0.0	-75.92	392.02	10.84	-65.08
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CC(Cl)=C3F)(C1)C2	REAL300012050170	0	34	0.0	-78.65	323.28	9.64	-69.01
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(C(F)(F)F)=C3Cl)(C1)C2	REAL300012050171	0	37	0.0	-84.40	331.98	9.85	-74.55
COC(=O)C1=C(C)NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1C	REAL300012050172	0	44	0.0	-86.51	364.12	8.19	-78.32
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C4)=CC=C2C1	REAL300012050173	0	58	0.0	-81.96	446.12	11.70	-70.26
O=C([O-])C12CC(C[NH2+]CC3=C(O)C=CC(F)=C3Br)(C1)C2	REAL300012050174	0	35	0.0	-74.13	313.92	6.23	-67.90
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4CCCCC4)C=C3)(C1)C2	REAL300012050175	0	50	0.0	-74.85	382.28	12.31	-62.54
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)SC(Br)=C1	REAL300012050176	0	34	0.0	-76.89	310.72	8.88	-68.01
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=N4)N=C3)(C1)C2	REAL300012050177	0	42	0.0	-84.57	349.63	8.84	-75.73
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050178	0	46	0.0	-83.20	378.38	10.59	-72.61
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050179	0	41	0.0	-87.12	343.55	7.76	-79.36
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CC4=CC=CC=C4)C=C3)(C1)C2	REAL300012050180	0	47	0.0	-76.16	383.23	12.96	-63.20
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3Br)(C1)C2	REAL300012050181	0	34	0.0	-75.66	328.07	10.00	-65.66
CCCCC(=O)NC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300012050182	0	50	0.0	-81.53	400.10	9.75	-71.78
O=C([O-])C12CC(C[NH2+]CC3=CSC(Br)=C3Br)(C1)C2	REAL300012050183	0	31	0.0	-75.15	309.18	8.69	-66.46
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(Br)=C3Br)(C1)C2	REAL300012050184	0	34	0.0	-74.61	314.85	9.63	-64.98
CCN(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C(C)=C1	REAL300012050185	0	48	0.0	-73.17	368.55	10.47	-62.70
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CN=C3Br)(C1)C2	REAL300012050186	0	33	0.0	-76.60	307.52	7.69	-68.91
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C(Cl)=CS3)(C1)C2	REAL300012050187	0	31	0.0	-74.83	301.68	8.54	-66.29
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)(F)F)C(Cl)=C3)(C1)C2	REAL300012050188	0	38	0.0	-84.53	342.47	8.85	-75.68
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4CC(F)(F)C4(F)F)=C3)(C1)C2	REAL300012050189	0	44	0.0	-81.77	369.01	11.32	-70.45
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3)(C1)C2	REAL300012050190	0	43	0.0	-81.87	349.85	10.17	-71.70
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1	REAL300012050191	0	56	0.0	-79.15	439.37	13.41	-65.74
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3Br)(C1)C2	REAL300012050192	0	37	0.0	-77.43	334.60	10.09	-67.34
O=C([O-])C12CC(C[NH2+]CC3=CC4=NC=C(Br)C=C4O3)(C1)C2	REAL300012050193	0	36	0.0	-84.35	324.39	7.81	-76.54
O=C([O-])C12CC(C[NH2+]CC3=C4SC(C(F)F)=NC4=CC=C3)(C1)C2	REAL300012050194	0	39	0.0	-83.56	345.49	8.87	-74.69
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(CCOC4)N=C3Cl)(C1)C2	REAL300012050195	0	41	0.0	-79.02	341.34	7.16	-71.86
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC(Br)=CC=C4S3)(C1)C2	REAL300012050196	0	37	0.0	-79.03	339.09	10.66	-68.37
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050197	0	47	0.0	-79.69	378.80	11.02	-68.67
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C=C3Br)(C1)C2	REAL300012050198	0	34	0.0	-75.02	318.03	9.67	-65.35
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CC(F)=C3F)(C1)C2	REAL300012050199	0	34	0.0	-79.59	313.39	9.21	-70.38
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=C(Br)C=C3F)(C1)C2	REAL300012050200	0	34	0.0	-79.29	321.92	9.61	-69.68
O=C([O-])C12CC(C[NH2+]CC3=CC(Br)=CC([N+](=O)[O-])=C3)(C1)C2	REAL300012050201	0	36	0.0	-91.18	329.74	9.79	-81.39
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050202	0	41	0.0	-81.11	340.93	10.40	-70.71
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)C=CC(Br)=C1F	REAL300012050203	0	38	0.0	-82.70	336.62	8.57	-74.13
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C(F)(F)F)=C3F)(C1)C2	REAL300012050204	0	37	0.0	-80.77	323.92	9.52	-71.25
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050205	0	52	0.0	-77.84	405.39	10.15	-67.69
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4C(Br)=C3)(C1)C2	REAL300012050206	0	40	0.0	-81.99	344.98	11.28	-70.71
COC1=C2C=CNC2=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C2	REAL300012050207	0	42	0.0	-74.65	341.38	7.92	-66.73
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCC(O)C4)C=C3)(C1)C2	REAL300012050208	0	47	0.0	-77.95	365.77	5.50	-72.45
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CN4C=C(Br)C=N4)C=C3)(C1)C2	REAL300012050209	0	44	0.0	-79.29	385.91	10.77	-68.52
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=CN=C1N1C=CC=N1	REAL300012050210	0	43	0.0	-87.30	352.59	9.84	-77.46
COC1=CC=C(Br)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C3)=C1O	REAL300012050211	0	39	0.0	-70.17	337.42	6.16	-64.01
O=C([O-])C(CCC[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C(=O)O	REAL300012050231	1	42	0.0	-59.00	381.63	9.36	-49.64
O=C([O-])C(CCC[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1)C(=O)O	REAL300012050238	1	44	0.0	-61.85	388.93	9.60	-52.25
O=C([O-])C(CCC[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C(=O)O	REAL300012050239	1	44	0.0	-62.26	393.71	9.55	-52.71
O=C([O-])C(CCC[NH2+]CC1=CSC2=CC=CC=C12)C(=O)O	REAL300012050240	0	38	0.0	-56.44	329.80	7.52	-48.92
O=C([O-])C(CCC[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1)C(=O)O	REAL300012050244	1	42	0.0	-59.53	371.32	8.91	-50.62
O=C([O-])C(CCC[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1)C(=O)O	REAL300012050248	1	42	0.0	-57.62	381.74	9.36	-48.26
O=C([O-])C(CCC[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1)C(=O)O	REAL300012050250	1	42	0.0	-55.35	369.96	9.10	-46.25
O=C([O-])C(CCC[NH2+]CC1=CC2=CC=CC=C2S1)C(=O)O	REAL300012050260	0	38	0.0	-61.07	329.38	7.84	-53.23
O=C([O-])C(CCC[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C(=O)O	REAL300012050262	1	42	0.0	-58.83	381.64	9.35	-49.48
O=C([O-])C(CCC[NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C(=O)O	REAL300012050276	1	42	0.0	-55.33	358.95	8.73	-46.60
O=C([O-])C(CCC[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C(=O)O	REAL300012050288	1	42	0.0	-59.59	371.32	8.91	-50.68
CC1=CC=C(C2=CC=C(C[NH2+]CCCC(C(=O)[O-])C(=O)O)S2)C=C1	REAL300012050289	1	45	0.0	-58.17	386.31	9.52	-48.65
COC1=CC=C2OC(C[NH2+]CCCC(C(=O)[O-])C(=O)O)=CC2=C1	REAL300012050303	1	42	0.0	-62.24	354.42	5.87	-56.37
O=C([O-])C(CCC[NH2+]CC1=CC=C(C2=CC=CC=C2)S1)C(=O)O	REAL300012050341	1	42	0.0	-55.01	360.75	8.93	-46.08
CC1=C(C)C=C2OC(C[NH2+]CCCC(C(=O)[O-])C(=O)O)=CC2=C1	REAL300012050346	1	44	0.0	-56.84	359.08	7.87	-48.97
C[NH+]1CCN(C2=CC=C(C[NH2+]CCCC(C(=O)[O-])C(=O)[O-])C=C2)CC1	REAL300012050404	0	52	0.0	-142.39	403.82	9.12	-133.27
COC1=C2OC(C[NH2+]CCCC(C(=O)[O-])C(=O)O)=CC2=CC=C1	REAL300012050412	1	42	0.0	-61.87	354.45	5.88	-55.99
O=C([O-])C(CCC[NH2+]CC1=CC2=CC(F)=CC=C2O1)C(=O)O	REAL300012050474	1	38	0.0	-59.06	327.20	6.74	-52.32
CN1C=C(C2=CC=C(C[NH2+]CCCC(C(=O)[O-])C(=O)O)S2)C=N1	REAL300012050611	1	42	0.0	-61.49	371.02	6.75	-54.74
CC1=C(C[NH2+]CCCC(C(=O)[O-])C(=O)O)SC2=C(Cl)C=CC=C12	REAL300012050622	1	41	0.0	-61.64	362.45	8.86	-52.78
O=C([O-])C(CCC[NH2+]CC1=CC2=CC=NC=C2S1)C(=O)O	REAL300012050639	0	37	0.0	-63.98	329.19	5.81	-58.17
O=C([O-])C(CCC[NH2+]CC1=CC2=CC(Br)=CC=C2O1)C(=O)O	REAL300012050640	1	38	0.0	-58.20	342.07	7.29	-50.91
CCC1=C2OC(C[NH2+]CCCC(C(=O)[O-])C(=O)O)=CC2=CC=C1	REAL300012050641	1	44	0.0	-59.97	367.85	8.02	-51.95
O=C([O-])C(CCC[NH2+]CC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012050719	0	54	0.0	-140.55	424.11	11.02	-129.53
O=C([O-])C(CCC[NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C(=O)O	REAL300012050736	1	37	0.0	-64.05	336.48	4.03	-60.02
COC1=CC=C2SC(C[NH2+]CCCC(C(=O)[O-])C(=O)O)=CC2=C1	REAL300012050777	0	42	0.0	-62.75	358.93	7.12	-55.63
O=C([O-])C(CCC[NH2+]CC1=CC=C(CC2CC2)S1)C(=O)O	REAL300012050812	1	42	0.0	-56.62	362.26	8.31	-48.31
C[NH+](C)CCC1=CC=C(C[NH2+]CCCC(C(=O)[O-])C(=O)[O-])C=C1	REAL300012050820	0	49	0.0	-141.94	393.16	10.80	-131.14
O=C([O-])C(CCC[NH2+]CC1=CC2=C(Br)C=CC=C2S1)C(=O)O	REAL300012050825	0	38	0.0	-58.83	354.89	8.17	-50.66
CC1=C(C[NH2+]CCCC(C(=O)[O-])C(=O)O)SC2=CC(F)=CC=C12	REAL300012050864	0	41	0.0	-61.59	357.61	8.19	-53.40
CC1=CC2=CC=CC(C[NH2+]CCCC(C(=O)[O-])C(=O)O)=C2O1	REAL300012050872	1	41	0.0	-56.12	346.31	7.21	-48.91
O=C([O-])C(CCC[NH2+]CC1=CC2=NC=C(Br)C=C2O1)C(=O)O	REAL300012050942	1	37	0.0	-61.08	336.86	5.46	-55.62
O=C([O-])C(CCC[NH2+]CC1=CC2=CC(Br)=CC=C2S1)C(=O)O	REAL300012050945	0	38	0.0	-62.57	350.64	8.45	-54.12
C[NH+](C)CCC1=CC=C(C[NH2+]C2CCC3=CC(C(=O)[O-])=C(C(=O)[O-])C=C32)C=C1	REAL300012051536	0	54	0.0	-180.42	428.97	13.47	-166.95
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C)=C1	REAL300012051668	0	56	0.0	-65.17	391.79	11.87	-53.30
CC1=CC=C(C)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051669	0	56	0.0	-64.56	391.24	11.85	-52.71
CC12CC3(C)CC([NH2+]CC4=CC5=CC=CN=C5C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051670	0	55	0.0	-72.40	396.12	10.92	-61.48
CC12CC3(C)CC([NH2+]CC4CC5C=CC4C5)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051671	0	55	0.0	-68.39	372.23	11.09	-57.30
CC12CC3(C)CC([NH2+]CC4CCCCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051672	0	56	0.0	-68.57	376.59	10.89	-57.68
CC(C)(C)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051673	0	62	0.0	-66.91	431.78	12.91	-54.00
CC12CC3(C)CC([NH2+]CC4=CNN=C4C4=CC=CC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051674	0	57	0.0	-70.56	412.00	10.43	-60.13
CC12CC3(C)CC([NH2+]CC4=CC=C(Br)O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051675	0	47	0.0	-71.60	357.44	9.42	-62.18
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051676	0	60	0.0	-73.02	434.81	12.32	-60.70
CCOC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1OC	REAL300012051677	0	61	0.0	-72.58	435.60	10.69	-61.89
CCCCCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051678	0	66	0.0	-69.69	471.43	13.18	-56.51
CC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1C	REAL300012051679	0	56	0.0	-64.89	387.50	11.74	-53.15
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1C	REAL300012051680	0	56	0.0	-66.70	394.67	11.82	-54.88
CC(C)OC1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051681	0	60	0.0	-65.02	423.51	11.50	-53.52
C=CCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1OC	REAL300012051682	0	62	0.0	-73.03	448.50	11.27	-61.76
CC12CC3(C)CC([NH2+]CC4=CN(CC5=CC=CC=C5)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051683	0	60	0.0	-74.86	439.81	12.25	-62.61
CCC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C2=CC=CC=C2O1	REAL300012051684	0	59	0.0	-68.16	420.69	12.54	-55.62
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4OC(F)(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051685	0	54	0.0	-70.13	400.18	10.45	-59.68
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(Cl)=C1	REAL300012051686	0	54	0.0	-68.79	397.74	10.31	-58.48
CC12CC3(C)CC([NH2+]CC4=CC=C(OC(F)(F)F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051687	0	54	0.0	-71.14	401.57	10.38	-60.76
CC12CC3(C)CC([NH2+]CC4=CC=CC(C#N)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051688	0	51	0.0	-79.25	376.45	10.96	-68.29
CC12CC3(C)CC([NH2+]CC4=CNN=C4C4=CC=C(F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051689	0	57	0.0	-74.09	418.25	10.49	-63.60
CC1=CC=C(C2=NNC=C2C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051690	0	60	0.0	-69.93	432.70	11.08	-58.85
CC12CC3(C)CC([NH2+]CC4=CNN=C4C4=CC=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051691	0	54	0.0	-59.71	396.01	9.59	-50.12
CC12CC3(C)CC([NH2+]CC4=CSC5=CC=CC=C45)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051692	0	53	0.0	-67.67	391.89	11.94	-55.73
CC12CC3(C)CC([NH2+]CC4=CC5=CC=CC=C5OC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051693	0	56	0.0	-70.04	401.65	11.07	-58.97
CC1=CC=C(C2=CC=C(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)O2)C=C1	REAL300012051694	0	60	0.0	-65.89	437.22	13.15	-52.74
CC1=CC=C(C2=NNC=C2C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300012051695	0	57	0.0	-62.81	416.05	9.68	-53.13
CC12CC3(C)CC([NH2+]CC4=CNN=C4C4=CC=CN=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051696	0	56	0.0	-63.17	407.01	8.64	-54.53
CC12CC3(C)CC([NH2+]CC4=CC=C(Cl)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051697	0	47	0.0	-70.41	362.26	10.30	-60.11
CC12CC3(C)CC([NH2+]CC4=CC=CC5=CC=CN=C54)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051698	0	55	0.0	-67.33	394.78	11.09	-56.24
COC1=NC2=CC=CC=C2C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051699	0	59	0.0	-72.13	425.86	9.57	-62.56
CC12CC3(C)CC([NH2+]CC4=CC=C(N5C=CC=N5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051700	0	57	0.0	-72.63	413.94	11.78	-60.85
CC12CC3(C)CC([NH2+]CC4=CC=C(N5C=NC=N5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051701	0	56	0.0	-75.99	408.87	13.10	-62.89
CCC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300012051702	0	53	0.0	-64.60	379.73	10.32	-54.28
CC12CC3(C)CC([NH2+]CC4=CC(F)=CC=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051703	0	50	0.0	-64.31	366.97	10.66	-53.65
CC12CC3(C)CC([NH2+]CC4=CC=C(F)C=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051704	0	50	0.0	-71.08	374.67	11.09	-59.99
CC12CC3(C)CC([NH2+]CC4=CC=C(F)C(Cl)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051705	0	50	0.0	-75.74	377.59	11.12	-64.62
CC12CC3(C)CC([NH2+]CC4=CC=C(F)C(C(F)(F)F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051706	0	53	0.0	-74.74	399.90	11.64	-63.10
CCOC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051707	0	57	0.0	-69.83	406.94	10.80	-59.03
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1F	REAL300012051708	0	53	0.0	-68.50	382.30	11.30	-57.20
CC12CC3(C)CC([NH2+]CC4=CC(Cl)=CC=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051709	0	50	0.0	-61.10	384.42	11.53	-49.57
CC12CC3(C)CC([NH2+]CC4=CC=C(F)C=C4C(F)(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051710	0	53	0.0	-77.41	390.53	11.69	-65.72
CC12CC3(C)CC([NH2+]CC4=CC(F)=C(F)C(F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051711	0	50	0.0	-79.02	374.59	10.76	-68.26
CC12CC3(C)CC([NH2+]CC4=CC(F)=CC(C(F)(F)F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051712	0	53	0.0	-74.92	400.71	11.65	-63.27
CC12CC3(C)CC([NH2+]CC4=CC(C(F)(F)F)=CC=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051713	0	53	0.0	-69.13	398.57	11.63	-57.50
CC12CC3(C)CC([NH2+]CC4=CC5=CC=CC=C5S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051714	0	53	0.0	-65.74	392.97	12.11	-53.63
CC12CC3(C)CC([NH2+]CC4=CC=C(Cl)C(F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051715	0	50	0.0	-75.80	377.59	11.13	-64.67
CC12CC3(C)CC([NH2+]CC4=CC=CN=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051716	0	49	0.0	-60.90	362.50	9.19	-51.71
CC(C)C1=NN(C)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051717	0	59	0.0	-71.20	420.79	10.21	-60.99
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051718	0	59	0.0	-63.75	435.68	10.52	-53.23
COCCOC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051719	0	61	0.0	-72.06	440.57	10.07	-61.99
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1Cl	REAL300012051720	0	54	0.0	-74.50	401.11	10.44	-64.06
CC12CC3(C)CC([NH2+]CC4=CSC(C5=CC=CC=N5)=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051721	0	55	0.0	-74.79	415.26	9.48	-65.31
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051722	0	62	0.0	-63.93	436.97	12.16	-51.77
CC12CC3(C)CC([NH2+]CC4=CC=CC5=C4OCCO5)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051723	0	56	0.0	-63.01	397.87	9.79	-53.22
CC12CC3(C)CC([NH2+]CC4=CC=CC5=C4OCCCO5)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051724	0	59	0.0	-73.13	415.39	10.60	-62.53
CCCN1C2=CC=CC=C2N=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051725	0	62	0.0	-62.78	441.36	12.66	-50.12
CCCOC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051726	0	60	0.0	-69.69	428.44	11.60	-58.09
CC12CC3(C)CC([NH2+]CC4=CC(C5=CC=CC=C5)=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051727	0	57	0.0	-66.50	421.04	13.15	-53.35
CC12CC3(C)CC([NH2+]CC4=CC=CC(OC5CCCC5)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051728	0	64	0.0	-69.32	449.09	12.76	-56.56
CC(C)OC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051729	0	60	0.0	-69.09	424.86	11.43	-57.66
CC(C)C1=NC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CS1	REAL300012051730	0	55	0.0	-60.86	402.76	9.60	-51.26
CC(C)(C)C1=NC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CS1	REAL300012051731	0	58	0.0	-61.38	422.28	10.12	-51.26
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4OC4CCCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051732	0	64	0.0	-66.10	449.28	12.85	-53.25
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)OC=C1	REAL300012051733	0	50	0.0	-67.51	356.29	9.33	-58.18
CC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CN=C1Cl	REAL300012051734	0	52	0.0	-75.70	385.50	9.80	-65.90
CC12CC3(C)CC([NH2+]CC4=CC(Cl)=CC5=CC=CN=C54)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051735	0	55	0.0	-66.21	412.09	11.61	-54.60
CC12CC3(C)CC([NH2+]CC4=CC=C(F)C5=CC=CN=C45)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051736	0	55	0.0	-61.96	400.38	11.14	-50.82
CC12CC3(C)CC([NH2+]CC4=CC(F)=CC5=CC=CN=C54)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051737	0	55	0.0	-67.04	401.80	11.17	-55.87
CC12CC3(C)CC([NH2+]CC4=CC=C(Cl)C5=CC=CN=C45)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051738	0	55	0.0	-61.35	409.22	11.53	-49.82
COC1=CC=C2OC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=CC2=C1	REAL300012051739	0	57	0.0	-69.03	412.93	10.40	-58.63
CC12CC3(C)CC([NH2+]CC=CC4=CC=C(Cl)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051740	0	54	0.0	-71.20	403.35	12.39	-58.81
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C2=CC=CC=C2O1	REAL300012051741	0	56	0.0	-70.29	403.27	11.70	-58.59
CC12CC3(C)CC([NH2+]CC4=COC5=CC=CC=C45)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051742	0	53	0.0	-70.68	383.50	10.95	-59.73
CC12CC3(C)CC([NH2+]CC4=CC=C(OC5=CC=CC=C5)O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051743	0	58	0.0	-71.91	421.76	12.31	-59.60
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N=C1	REAL300012051744	0	52	0.0	-61.78	371.99	9.40	-52.38
CC12CC3(C)CC([NH2+]CC=CC4=CC=C(F)C=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051745	0	54	0.0	-72.28	398.54	11.97	-60.31
CC12CC3(C)CC([NH2+]CC4=NN(C5=CC=CC=C5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051746	0	57	0.0	-71.27	413.89	11.67	-59.60
CC12CC3(C)CC([NH2+]CC4=C(Cl)SC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051747	0	47	0.0	-66.02	359.22	10.11	-55.91
CC12CC3(C)CC([NH2+]CC4=CC(Cl)=CC5=C4OCC5)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051748	0	55	0.0	-67.48	408.09	10.89	-56.59
CC12CC3(C)CC([NH2+]CC4=CC5=C(F)C=CC=C5N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051749	0	54	0.0	-70.90	393.96	10.60	-60.30
CC12CC3(C)CC([NH2+]CC4=CC5=CC=C(F)C=C5N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051750	0	54	0.0	-72.86	393.88	10.59	-62.27
CCOC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012051751	0	56	0.0	-63.93	404.60	8.17	-55.76
CC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC2=CC=CN=C12	REAL300012051752	0	58	0.0	-72.57	416.82	11.77	-60.80
CC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1Cl	REAL300012051753	0	53	0.0	-70.61	391.04	11.68	-58.93
CC12CC3(C)CC([NH2+]CC4=CN=C5C=CSC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051754	0	52	0.0	-73.59	387.45	10.06	-63.53
CCCC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051755	0	59	0.0	-66.94	419.96	12.80	-54.14
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1C#N	REAL300012051756	0	55	0.0	-82.88	404.71	10.29	-72.59
CC12CC3(C)CC([NH2+]CC4=CC=C(SC(F)F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051757	0	54	0.0	-70.15	405.39	11.85	-58.30
CC1=CC(Cl)=CC(C)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051758	0	56	0.0	-67.03	405.47	12.14	-54.89
CC12CC3(C)CC([NH2+]CC4=CC=C(OC(F)F)C(F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051759	0	54	0.0	-75.71	401.07	10.22	-65.49
CCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N=C1	REAL300012051760	0	56	0.0	-70.56	401.40	8.93	-61.63
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051761	0	56	0.0	-71.09	409.44	12.22	-58.87
CC12CC3(C)CC([NH2+]CC4=CC=C(Br)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051762	0	47	0.0	-70.49	366.89	10.41	-60.08
C=CCOC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051763	0	58	0.0	-70.05	419.85	11.39	-58.66
CC1=CC(C)=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1C	REAL300012051764	0	59	0.0	-64.68	408.20	12.38	-52.30
CC12CC3(C)CC([NH2+]CC4=CC=C(C5=CC=CC=C5)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051765	0	57	0.0	-66.03	423.43	13.37	-52.66
CC(C)(C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)C1=CC=CC=C1	REAL300012051766	0	59	0.0	-68.54	403.65	12.29	-56.25
CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C2CCCCC2)=N1	REAL300012051767	0	66	0.0	-69.02	461.84	12.11	-56.91
CC1CCC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300012051768	0	59	0.0	-68.82	397.42	11.51	-57.31
CC(CCC1=CC=CC=C1)C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051769	0	62	0.0	-70.98	434.60	13.45	-57.53
CCC1CCCC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300012051770	0	62	0.0	-68.07	415.66	12.16	-55.91
CCC1=CC=CC(Cl)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051771	0	56	0.0	-65.30	404.64	12.19	-53.11
CC1=C(C)C=C2OC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=CC2=C1	REAL300012051772	0	59	0.0	-66.30	421.76	12.31	-53.99
CCCC1CCC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300012051773	0	65	0.0	-69.26	430.13	12.67	-56.59
CC1CCCCC1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051774	0	59	0.0	-68.45	392.99	11.32	-57.13
CC12CC3(C)CC([NH2+]CC4=CC=C(N5C=CN=C5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051775	0	57	0.0	-76.02	411.54	12.96	-63.06
CC12CC3(C)CC([NH2+]CC4=CC=C(C5=CC=CC=C5F)O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051776	0	57	0.0	-66.85	424.24	12.58	-54.27
COC1=CC=C(C)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051777	0	57	0.0	-60.42	404.54	10.59	-49.83
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1F	REAL300012051778	0	54	0.0	-76.55	391.31	9.95	-66.60
CC12CC3(C)CC([NH2+]CC4CCC(C(F)(F)F)CC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051779	0	59	0.0	-72.59	413.97	11.81	-60.78
CC(C)C1CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CCO1	REAL300012051780	0	63	0.0	-72.74	425.41	10.68	-62.06
CC1(C)CCC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300012051781	0	62	0.0	-69.46	410.56	11.79	-57.67
CCSC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051782	0	57	0.0	-70.13	417.26	12.43	-57.70
CC12CC3(C)CC([NH2+]CC4=C(O)C=CC(Cl)=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051783	1	51	0.0	-65.72	386.16	8.30	-57.42
COC1(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CCCCC1	REAL300012051784	0	60	0.0	-62.77	397.79	9.90	-52.87
CCN1N=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C2=CC=CC=C21	REAL300012051785	0	59	0.0	-69.95	426.75	11.35	-58.60
COCCC1(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CCCCC1	REAL300012051786	0	66	0.0	-67.01	433.93	10.78	-56.23
CCCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051787	0	60	0.0	-69.76	428.43	11.61	-58.15
CC12CC3(C)CC([NH2+]CC4=CC5=CC=CC=C5O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051788	0	53	0.0	-66.64	383.46	11.11	-55.53
CC12CC3(C)CC([NH2+]CC4=CC=C(C5=CC=CC=C5)O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051789	0	57	0.0	-70.77	415.25	12.45	-58.32
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1[N+](=O)[O-]	REAL300012051790	0	55	0.0	-74.34	399.76	11.77	-62.57
CC(C)OC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051791	0	60	0.0	-68.89	424.86	11.44	-57.45
CC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1F	REAL300012051792	0	53	0.0	-71.77	382.29	11.29	-60.48
CC12CC3(C)CC([NH2+]CC4=C5NC=CC5=CC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051793	0	54	0.0	-67.72	386.35	10.58	-57.14
CC12CC3(C)CC([NH2+]CC4=C(Br)C=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051794	0	47	0.0	-65.26	365.26	10.22	-55.04
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4N4CCOCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051795	0	63	0.0	-68.20	440.18	10.12	-58.08
CC(C)CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051796	0	62	0.0	-66.92	436.77	13.27	-53.65
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1[N+](=O)[O-]	REAL300012051797	0	56	0.0	-87.84	411.10	11.32	-76.52
CC12CC3(C)CC([NH2+]CC4=CC(Cl)=CC(Cl)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051798	0	50	0.0	-70.86	388.45	11.58	-59.28
CC12CC3(C)CC([NH2+]CC4=CC(F)=CC(Cl)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051799	0	50	0.0	-71.96	378.73	11.17	-60.79
CC1=CC=CC(C)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051800	0	56	0.0	-63.96	388.75	11.64	-52.32
CC12CC3(C)CC([NH2+]CC4=CC(Br)=CO4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051801	0	47	0.0	-67.86	358.03	9.36	-58.50
CC12CC3(C)CC([NH2+]CC4=CC=CC(OC(F)F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051802	0	54	0.0	-72.30	394.84	10.16	-62.14
CC12CC3(C)CC([NH2+]CC4=CC=C(Cl)C=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051803	0	50	0.0	-72.29	377.88	11.12	-61.17
CC12CC3(C)CC([NH2+]CC4=CC=CC(OC(F)(F)F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051804	0	54	0.0	-73.02	401.58	10.37	-62.65
CC12CC3(C)CC([NH2+]CC4=CC(Cl)=CC=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051805	0	50	0.0	-63.51	377.29	11.10	-52.41
CC12CC3(C)CC([NH2+]CC4=CC(F)=CC(F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051806	0	50	0.0	-72.57	367.81	10.71	-61.86
CC12CC3(C)CC([NH2+]CC4=CC=CC(Cl)=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051807	0	50	0.0	-72.56	375.73	11.12	-61.44
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C2=CC=CC=C12	REAL300012051808	0	60	0.0	-67.97	424.31	12.06	-55.91
CC12CC3(C)CC([NH2+]CC4=NNC=C4C4=CC=CC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051809	0	57	0.0	-63.49	412.93	10.49	-53.00
CC12CC3(C)CC([NH2+]CC4=C(C5=CC=CC=C5)C=NN4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051809	1	57	0.0	-64.37	413.90	10.49	-53.88
CC12CC3(C)CC([NH2+]CC4=CC=CC(F)=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051810	0	50	0.0	-73.98	365.85	10.68	-63.30
CN1C2=CC=CC=C2N=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051811	0	56	0.0	-65.24	402.00	10.93	-54.31
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300012051812	0	53	0.0	-72.06	382.62	7.28	-64.78
CC12CC3(C)CC([NH2+]CC4=CC=C5OCCC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051813	0	55	0.0	-70.86	391.46	10.44	-60.42
CC12CC3(C)CC([NH2+]CC4=CSC(Br)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051814	0	47	0.0	-71.12	367.23	10.26	-60.86
CC12CC3(C)CC([NH2+]CC4=CC=CC(C5=CC=CC=C5)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051815	0	60	0.0	-69.44	429.21	13.97	-55.47
CC12CC3(C)CC([NH2+]CC4=CC=C(N5CCCC5)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051816	0	61	0.0	-69.75	429.51	10.49	-59.26
CC12CC3(C)CC([NH2+]CC4=C5C=CNC5=CC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051817	0	54	0.0	-65.97	386.75	10.60	-55.37
CC1=CC(F)=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051818	0	53	0.0	-69.42	376.78	11.27	-58.15
CC1=NC(C)=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012051819	0	52	0.0	-66.92	381.41	9.06	-57.86
CC12CC3(C)CC([NH2+]CC4=CC=CC(C5=CC=CC=N5)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051820	0	59	0.0	-72.20	427.24	12.46	-59.74
CC12CC3(C)CC([NH2+]CC4=CC=CC(C5=CC=CN=C5)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051821	0	59	0.0	-70.29	424.22	12.22	-58.07
CC12CC3(C)CC([NH2+]CC4=CC=CC(C5=CC=NC=C5)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051822	0	59	0.0	-72.87	424.41	12.22	-60.65
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051823	0	65	0.0	-66.70	449.57	11.13	-55.57
CNC(=O)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051824	0	57	0.0	-75.19	412.05	8.87	-66.32
CC12CC3(C)CC([NH2+]CC4=CN(C5=CC=C(F)C=C5)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051825	0	57	0.0	-76.63	420.82	11.86	-64.77
CC12CC3(C)CC([NH2+]CC4=CC5=CC=CC=C5C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051826	0	56	0.0	-69.30	401.11	12.81	-56.49
COC1=C2OC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=CC2=CC=C1	REAL300012051827	0	57	0.0	-74.85	412.37	10.39	-64.46
COC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC(OC)=C1	REAL300012051828	0	58	0.0	-69.03	414.58	9.19	-59.84
COC1=CC2=CC=C(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)C=C2C=C1	REAL300012051829	0	60	0.0	-73.38	431.03	12.13	-61.25
CC12CC3(C)CC([NH2+]CC4=CC(Br)=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051831	0	47	0.0	-67.75	367.27	10.32	-57.43
CC12CC3(C)CC([NH2+]CC4=CC=C(CSC(F)F)O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051832	0	54	0.0	-67.43	416.11	11.16	-56.27
CC12CC3(C)CC([NH2+]CC4=CC5=CC=CC=C5NC4=O)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051833	0	56	0.0	-78.66	405.34	9.62	-69.04
CC12CC3(C)CC([NH2+]CC4=CC=C(N5CCCCC5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051835	0	65	0.0	-68.03	448.51	11.86	-56.17
COC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1SC	REAL300012051836	0	58	0.0	-72.55	423.91	10.92	-61.63
CC12CC3(C)CC([NH2+]CC4=CC=CC(OCCCC#N)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051837	0	61	0.0	-77.52	449.26	12.14	-65.38
C=CCC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC(OC)=C1O	REAL300012051838	0	62	0.0	-72.80	450.44	9.73	-63.07
CC12CC3(C)CC([NH2+]CC4=CC(C5=CC=CC=C5)=NN4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051839	0	57	0.0	-73.15	414.98	10.51	-62.64
CC12CC3(C)CC([NH2+]CC4=CN(C5=CC=CC=C5)N=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051840	0	56	0.0	-77.94	407.90	10.39	-67.55
CC12CC3(C)CC([NH2+]CC4=NC(C5=CC=CC=C5)=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051841	0	56	0.0	-64.07	418.15	11.33	-52.74
CN1C=NC2=CC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=CC=C21	REAL300012051842	0	56	0.0	-75.51	403.38	11.91	-63.60
CCN1N=C(C)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1C	REAL300012051843	0	59	0.0	-67.34	418.41	10.19	-57.15
CC12CC3(C)CC([NH2+]CC4=CN=C(C5=CC=CC=C5)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051844	0	56	0.0	-68.75	420.61	11.60	-57.15
COC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C2OC(C)CC2=C1	REAL300012051845	0	62	0.0	-61.50	441.43	10.44	-51.06
CC1(C)CC2=CC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=CC=C2O1	REAL300012051846	0	61	0.0	-71.59	432.99	11.84	-59.75
CC12CC3(C)CC([NH2+]CC4=COC(C5=CC=CC=C5)=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051847	0	56	0.0	-72.84	411.65	9.00	-63.84
CC1=CC=CC(C2=NNC=C2C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051848	0	60	0.0	-70.93	433.45	11.10	-59.83
CC1=CC=C(F)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051849	0	53	0.0	-67.46	380.92	11.28	-56.18
CC1=CC=C(F)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051850	0	53	0.0	-66.13	376.23	11.25	-54.88
CC1=NC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051851	0	52	0.0	-67.30	364.89	9.38	-57.92
CC(C)COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051852	0	63	0.0	-69.63	448.53	12.31	-57.32
COCCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051853	0	61	0.0	-72.60	440.56	10.09	-62.51
CC1(C)CCCC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C1	REAL300012051854	0	62	0.0	-69.20	410.56	11.79	-57.41
CC1=CCCC(C)C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051855	0	60	0.0	-62.74	398.66	11.85	-50.89
COC1=CC2=C(C=C1C[NH2+]C13CC4(C)CC(C)(C1)CC(C(=O)[O-])(C4)C3)OCO2	REAL300012051856	0	57	0.0	-66.85	409.14	8.59	-58.26
CC12CC3(C)CC([NH2+]CC4=CN=CC5=CC=CC=C54)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051857	0	55	0.0	-66.55	391.42	10.91	-55.64
CC(C)COC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051858	0	63	0.0	-69.44	448.55	12.30	-57.14
CC1=CC(Cl)=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051859	0	53	0.0	-68.60	387.10	11.71	-56.89
CC12CC3(C)CC([NH2+]CC=CC4=CC=C(F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051860	0	54	0.0	-72.18	393.03	11.94	-60.24
CC12CC3(C)CC([NH2+]CC4=CC=C(Cl)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051861	0	49	0.0	-73.44	367.29	9.22	-64.22
CC12CC3(C)CC([NH2+]CC4=CN=CC(Br)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051862	0	49	0.0	-72.03	371.16	9.38	-62.65
CN1N=NC2=CC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=CC=C21	REAL300012051863	0	55	0.0	-82.48	399.56	9.03	-73.45
CC12CC3(C)CC([NH2+]CC4CCCCCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051864	0	59	0.0	-68.61	387.77	11.35	-57.26
CC1(C)CC2=C(O1)C(C[NH2+]C13CC4(C)CC(C)(C1)CC(C(=O)[O-])(C4)C3)=CC=C2	REAL300012051865	0	61	0.0	-67.55	432.85	11.80	-55.75
COC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012051866	0	53	0.0	-63.91	382.74	7.24	-56.67
CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C2=CC=CC=C2)=N1	REAL300012051867	0	60	0.0	-70.04	434.96	11.73	-58.31
CC12CC3(C)CC([NH2+]CC4=CC=CC(N5C=CC=N5)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051868	0	57	0.0	-67.38	413.99	11.77	-55.61
CC(C)N1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300012051869	0	56	0.0	-68.20	398.60	9.77	-58.43
CC1=NC2=CC=C(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)C=C2C=C1	REAL300012051870	0	58	0.0	-72.91	418.28	11.55	-61.36
CC12CC3(C)CC([NH2+]CC4=NC=CC=C4C(F)(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051871	0	52	0.0	-63.97	379.44	9.64	-54.33
CC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1N1C=NC=N1	REAL300012051872	0	59	0.0	-79.51	429.92	14.11	-65.40
CC12CC3(C)CC([NH2+]CC4=CC5=CC(F)=CC=C5O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051873	0	53	0.0	-69.36	389.87	11.18	-58.18
CC12CC3(C)CC([NH2+]CC4=CC=C(OCC(F)F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051874	0	57	0.0	-75.85	419.95	11.13	-64.72
COCC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051875	0	57	0.0	-69.59	410.06	10.30	-59.29
CCCCOC1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051876	0	63	0.0	-65.84	448.59	12.46	-53.38
COC1=CC(C)=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1OC	REAL300012051877	0	61	0.0	-69.69	428.49	10.37	-59.32
CC12CC3(C)CC([NH2+]CC4=CNN=C4C4=CSC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051878	0	54	0.0	-63.28	401.99	9.41	-53.87
CC1CCC2=C(C1)SC(C[NH2+]C13CC4(C)CC(C)(C1)CC(C(=O)[O-])(C4)C3)=N2	REAL300012051879	0	59	0.0	-67.41	424.90	10.93	-56.48
CC(C)(C)C1CCC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300012051880	0	68	0.0	-69.19	445.37	12.89	-56.30
CC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C(C)O1	REAL300012051881	0	53	0.0	-65.52	378.61	10.20	-55.32
CC12CC3(C)CC([NH2+]CC4=CC=C(OCC5CC5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051882	0	61	0.0	-68.59	438.61	12.38	-56.21
CC(C)CC1=NC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012051883	0	58	0.0	-67.45	421.39	10.53	-56.92
CC12CC3(C)CC([NH2+]CC4=CNN=C4C4=CC=CC=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051884	0	57	0.0	-69.54	418.53	10.51	-59.03
CC12CC3(C)CC([NH2+]CC4=C(Cl)OC5=CC=CC=C54)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051885	0	53	0.0	-63.27	399.70	11.53	-51.74
COCCOC1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051886	0	61	0.0	-67.69	439.22	10.13	-57.56
CC12CC3(C)CC([NH2+]CC4=NC5=C(CCC5)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051887	0	53	0.0	-68.37	386.20	9.75	-58.62
CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C2=CC=CS2)=N1	REAL300012051888	0	57	0.0	-69.25	419.47	10.92	-58.33
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051889	0	54	0.0	-70.18	385.08	9.89	-60.29
CC12CC3(C)CC([NH2+]CC4=CC=C(C5=CC=C(F)C=C5)O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051890	0	57	0.0	-67.77	422.23	12.54	-55.23
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300012051891	0	50	0.0	-64.20	357.66	9.53	-54.67
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051892	0	50	0.0	-66.46	355.57	10.58	-55.88
CC(C)(C)C1=NC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012051893	0	58	0.0	-67.58	422.42	10.37	-57.21
CC12CC3(C)CC([NH2+]CC4=CC=C5OCCOC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051894	0	56	0.0	-72.68	400.08	9.73	-62.95
CC12CC3(C)CC([NH2+]CC4=CC=CC(Br)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051895	0	50	0.0	-71.36	376.87	11.20	-60.16
CC12CC3(C)CC([NH2+]CC4=CC=CC(Cl)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051896	0	50	0.0	-71.23	372.30	11.10	-60.13
CC12CC3(C)CC([NH2+]CC4=CN(C5=CC=CC=C5)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051897	0	57	0.0	-74.65	414.41	11.79	-62.86
CC(C)(C)N1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300012051898	0	59	0.0	-71.68	418.33	10.40	-61.28
CC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC(C)=C1	REAL300012051899	0	56	0.0	-66.71	398.39	11.90	-54.81
CC12CC3(C)CC([NH2+]CC4=CC=C(CO)O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051900	0	51	0.0	-67.97	369.65	6.20	-61.77
CC12CC3(C)CC([NH2+]CC4=CC=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051901	0	47	0.0	-64.09	345.80	9.69	-54.40
CC(=O)NC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051902	0	57	0.0	-71.89	411.95	9.46	-62.43
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051903	0	50	0.0	-58.11	367.46	11.05	-47.06
CC12CC3(C)CC([NH2+]CC4=CC=CC([N+](=O)[O-])=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051904	0	52	0.0	-83.51	383.79	11.26	-72.25
CC12CC3(C)CC([NH2+]CC4=CC=C([N+](=O)[O-])C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051905	0	52	0.0	-81.36	383.79	11.26	-70.10
CC12CC3(C)CC([NH2+]CC4=CC=CC5=CC=CC=C54)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051906	0	56	0.0	-67.38	396.56	12.72	-54.66
CN(C)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051907	0	58	0.0	-67.33	406.68	10.97	-56.36
CCN(CC)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051908	0	64	0.0	-66.27	450.71	12.89	-53.38
CC12CC3(C)CC([NH2+]CC4=CC=C(Br)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051909	0	50	0.0	-70.25	376.88	11.20	-59.05
CC12CC3(C)CC([NH2+]CC4=CC=C(Cl)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051910	0	50	0.0	-70.17	372.31	11.10	-59.07
CC12CC3(C)CC([NH2+]CC4=C(F)C=CC=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051911	0	50	0.0	-61.77	374.93	11.01	-50.76
CC12CC3(C)CC([NH2+]CC4=CC=C(F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051912	0	50	0.0	-71.17	361.99	10.65	-60.52
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4OC(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051913	0	54	0.0	-68.27	393.49	10.22	-58.05
COC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1OC	REAL300012051914	0	58	0.0	-61.00	413.72	9.84	-51.16
CC12CC3(C)CC([NH2+]CC4=CC=C(Cl)C=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051915	0	50	0.0	-70.30	384.99	11.54	-58.76
CC12CC3(C)CC([NH2+]CC4=CC=C(N5CCOCC5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051916	0	63	0.0	-69.56	439.58	9.42	-60.14
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1OC	REAL300012051917	0	58	0.0	-72.82	413.74	9.77	-63.05
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(OC)=C1	REAL300012051918	0	58	0.0	-68.33	413.15	9.24	-59.09
CC12CC3(C)CC([NH2+]CC4=CC=C(C(F)(F)F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051919	0	53	0.0	-73.39	394.30	11.59	-61.80
CC12CC3(C)CC([NH2+]CC4=CC=C(F)C=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051920	0	50	0.0	-73.10	367.56	10.68	-62.42
CC12CC3(C)CC([NH2+]CC4=CC=CC(Cl)=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051921	0	50	0.0	-70.26	382.06	11.50	-58.76
CC12CC3(C)CC([NH2+]CC4=CC=C(Cl)C(Cl)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051922	0	50	0.0	-74.54	386.91	11.53	-63.01
CC12CC3(C)CC([NH2+]CC4CC=CCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051923	0	54	0.0	-68.66	368.34	10.76	-57.90
CC12CC3(C)CC([NH2+]CC4=CC=C(OC(F)F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051924	0	54	0.0	-70.54	394.84	10.17	-60.37
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4C(F)(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051925	0	53	0.0	-73.27	384.11	11.63	-61.64
CCCCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051926	0	63	0.0	-69.93	449.93	12.39	-57.54
CC(C)CCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051927	0	66	0.0	-69.81	467.50	12.92	-56.89
COC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051928	0	54	0.0	-70.01	385.09	9.88	-60.13
CC(=CC1=CC=CC=C1)C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051929	0	57	0.0	-68.32	403.76	12.37	-55.95
CCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1OC	REAL300012051930	0	61	0.0	-72.73	435.60	10.69	-62.04
CC(C)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051931	0	59	0.0	-67.05	415.81	12.52	-54.53
CC12CC3(C)CC([NH2+]CC4=CC=CC(C(F)(F)F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051932	0	53	0.0	-74.33	394.30	11.58	-62.75
CCOC1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051933	0	57	0.0	-65.55	405.59	10.88	-54.67
CCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051934	0	57	0.0	-70.03	406.94	10.81	-59.22
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051935	0	50	0.0	-60.59	360.15	10.62	-49.97
CC12CC3(C)CC([NH2+]CC4=CC=CC(F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051936	0	50	0.0	-72.36	361.98	10.66	-61.70
COC1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051937	0	54	0.0	-65.60	383.68	9.94	-55.66
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)SC=C1	REAL300012051938	0	50	0.0	-65.82	363.75	10.25	-55.57
CC12CC3(C)CC([NH2+]CC4=CC=C(C5=CC=CC=C5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051939	0	60	0.0	-69.92	429.79	14.00	-55.92
CC1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051940	0	53	0.0	-65.44	371.02	11.14	-54.30
COC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C2=CC=CC=C2C=C1	REAL300012051941	0	60	0.0	-63.74	425.37	12.05	-51.69
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051942	0	53	0.0	-66.94	376.98	11.26	-55.68
CC12CC3(C)CC([NH2+]CC4=CC=C(C#N)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051943	0	51	0.0	-77.60	376.44	10.97	-66.63
CSC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051944	0	54	0.0	-70.51	395.79	11.61	-58.90
CC12CC3(C)CC([NH2+]CC4=C(Cl)C=CC=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051945	0	50	0.0	-59.56	383.68	11.39	-48.17
CC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051946	0	53	0.0	-66.92	376.98	11.25	-55.67
CC12CC3(C)CC([NH2+]CC4=CSC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051947	0	47	0.0	-67.21	345.56	9.53	-57.68
CCC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051948	0	56	0.0	-67.05	398.47	12.03	-55.02
CC1=CC(C)=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C)=C1	REAL300012051949	0	59	0.0	-63.92	410.16	12.30	-51.62
CC12CC3(C)CC([NH2+]CC4=C(F)C=CC=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051950	0	50	0.0	-63.18	366.20	10.62	-52.56
CC12CC3(C)CC([NH2+]CC4=CC=C(F)C(F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051951	0	50	0.0	-77.40	367.70	10.68	-66.72
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012051952	0	50	0.0	-66.69	367.10	10.48	-56.21
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4Br)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051953	0	50	0.0	-56.99	371.03	11.16	-45.83
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1O	REAL300012051954	0	55	0.0	-72.80	395.25	7.71	-65.09
CC1=NN(C)C(C)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051955	0	56	0.0	-67.82	396.45	9.32	-58.50
CC1=NN(C)C(Cl)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051956	0	53	0.0	-68.60	394.79	9.24	-59.36
CCC1=NN(C)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051957	0	56	0.0	-71.19	399.53	9.70	-61.49
CC12CC3(C)CC([NH2+]CC4=CN(CC(F)(F)F)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051958	0	53	0.0	-74.55	397.79	9.76	-64.79
CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C(C)(C)C)=N1	REAL300012051959	0	62	0.0	-66.89	421.28	10.59	-56.30
CC12CC3(C)CC([NH2+]CC4=CC=CN=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051960	0	49	0.0	-71.88	350.40	8.79	-63.09
CC12CC3(C)CC([NH2+]CC4=CC=CO4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051961	0	47	0.0	-67.94	335.74	8.70	-59.24
CC12CC3(C)CC([NH2+]CC4=CC=NC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051962	0	49	0.0	-71.09	350.46	8.81	-62.28
CC12CC3(C)CC([NH2+]CC4=CC=C(Cl)O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051963	0	47	0.0	-71.75	352.81	9.30	-62.45
CN(CCC#N)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012051964	0	62	0.0	-72.25	449.49	12.44	-59.81
CCOC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1OC	REAL300012051965	0	61	0.0	-60.81	435.63	10.75	-50.06
C#CCOC1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051966	0	56	0.0	-67.58	411.37	11.42	-56.16
CC1=NOC(C)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051967	0	52	0.0	-72.86	372.27	9.36	-63.50
CC1=NC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CS1	REAL300012051968	0	49	0.0	-61.62	362.14	8.30	-53.32
COC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC2=C1OCO2	REAL300012051969	0	57	0.0	-74.81	411.16	8.53	-66.28
CC12CC3(C)CC([NH2+]CC4=NN(C5=CC=CC=C5)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051970	0	56	0.0	-73.10	409.42	10.36	-62.74
COC1=CC2=C(C=C1C[NH2+]C13CC4(C)CC(C)(C1)CC(C(=O)[O-])(C4)C3)OC(C)C2	REAL300012051971	0	62	0.0	-65.50	440.57	10.50	-55.00
CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300012051972	0	50	0.0	-69.26	358.38	8.38	-60.88
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1C	REAL300012051973	0	57	0.0	-69.42	404.57	10.62	-58.80
CC(C)(C)C1=NNC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051974	0	59	0.0	-70.02	398.24	9.22	-60.80
CC12CC3(C)CC([NH2+]CC4=NC=CN4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051975	0	47	0.0	-72.35	334.42	7.30	-65.05
COC1=CC=CC(OC)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051976	0	58	0.0	-60.19	411.89	9.30	-50.89
CN1C=CN=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051977	0	50	0.0	-73.19	356.11	8.95	-64.24
COC1=CC=C(F)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012051978	0	54	0.0	-67.19	388.99	9.90	-57.29
CSC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012051979	0	51	0.0	-68.48	388.51	10.90	-57.58
CC12CC3(C)CC([NH2+]CC4=CC=CC5=C4OCO5)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051980	0	53	0.0	-63.85	381.01	9.22	-54.63
CC12CC3(C)CC([NH2+]CC4=CN=CN=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051981	0	48	0.0	-72.91	345.21	8.59	-64.32
CC12CC3(C)CC([NH2+]CC4=C(Cl)C=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051982	0	47	0.0	-65.57	361.09	10.13	-55.44
CC12CC3(C)CC([NH2+]CC4=CC=C(S(C)(=O)=O)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051983	0	56	0.0	-77.74	416.27	8.11	-69.63
COC1=CC=C(F)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051984	0	54	0.0	-64.59	389.53	10.00	-54.59
CC12CC3(C)CC([NH2+]CC4=NNC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051985	0	47	0.0	-69.08	334.90	6.97	-62.11
CC12CC3(C)CC([NH2+]CC4=CC=NN4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051985	1	47	0.0	-70.79	335.48	6.96	-63.83
CC12CC3(C)CC([NH2+]CC4=CC=C(C(N)=O)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051986	0	54	0.0	-80.39	390.12	7.36	-73.03
COC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1F	REAL300012051987	0	54	0.0	-74.57	390.72	9.94	-64.63
COC1=CC=C(Cl)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051988	0	54	0.0	-63.68	399.85	10.44	-53.24
CC12CC3(C)CC([NH2+]CC4=CN=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051989	0	46	0.0	-68.49	340.33	7.83	-60.66
CN1C=NC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051990	0	50	0.0	-67.94	355.14	9.71	-58.23
COC(=O)C1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CN1C	REAL300012051991	0	57	0.0	-69.66	414.42	10.77	-58.89
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1Cl	REAL300012051992	0	53	0.0	-67.68	391.04	11.69	-55.99
COC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1C	REAL300012051993	0	57	0.0	-68.53	404.57	10.62	-57.91
CC12CC3(C)CC([NH2+]CC4=CSC=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051994	0	46	0.0	-62.17	340.20	7.58	-54.59
CC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1F	REAL300012051995	0	53	0.0	-68.94	381.46	11.23	-57.71
CC12CC3(C)CC([NH2+]CC4=CC=C(C#N)C=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012051996	0	51	0.0	-78.96	381.98	10.98	-67.98
CC1=NNC(C)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051997	0	53	0.0	-67.93	375.93	8.11	-59.82
CC1=NNC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051998	0	50	0.0	-68.94	354.42	7.66	-61.28
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=NN1	REAL300012051998	1	50	0.0	-67.88	355.57	7.58	-60.30
CN1N=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012051999	0	50	0.0	-71.46	355.62	8.14	-63.32
CC12CC3(C)CC([NH2+]CC4=CC=C(Br)C=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052000	0	49	0.0	-71.98	371.29	9.32	-62.66
C#CCCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012052001	0	59	0.0	-70.37	434.21	12.14	-58.23
CC12CC3(C)CC([NH2+]CC4=CN5C=CC=CC5=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052002	0	53	0.0	-63.48	382.55	11.08	-52.40
CC1=NN(C)C2=NC=C(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)C=C12	REAL300012052003	0	58	0.0	-77.06	421.85	10.31	-66.75
CC12CC3(C)CC([NH2+]CC4=CSC(C5CC5)=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052004	0	53	0.0	-61.57	392.02	9.81	-51.76
CCC1=NC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CS1	REAL300012052005	0	52	0.0	-60.99	383.04	9.04	-51.95
CC12CC3(C)CC([NH2+]CC4=CN5C=C(Cl)C=CC5=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052006	0	53	0.0	-63.88	399.27	11.60	-52.28
CC1=NN(C)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052007	0	53	0.0	-71.46	378.03	8.97	-62.49
CCN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300012052008	0	53	0.0	-69.11	379.93	9.25	-59.86
CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N=N1	REAL300012052009	0	49	0.0	-77.28	351.80	7.07	-70.21
CC12CC3(C)CC([NH2+]CC4=CC=CC(C(N)=O)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052010	0	54	0.0	-78.86	390.12	7.36	-71.50
CN1C=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052011	0	50	0.0	-68.77	357.86	8.27	-60.50
CC12CC3(C)CC([NH2+]CC4=NC=CN4CC(F)(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052012	0	53	0.0	-69.03	392.78	10.07	-58.96
CC12CC3(C)CC([NH2+]CC4CCCCCCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052013	0	62	0.0	-67.80	398.25	11.76	-56.04
CC1=CSC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052014	0	49	0.0	-68.22	362.16	8.32	-59.90
COC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1F	REAL300012052015	0	54	0.0	-61.79	389.87	9.90	-51.89
CC12CC3(C)CC([NH2+]CC4=CC=C5CCCC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052016	0	57	0.0	-67.07	401.08	12.50	-54.57
CC12CC3(C)CC([NH2+]CC4=CSC=C4Br)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052017	0	47	0.0	-66.68	363.96	10.08	-56.60
CC12CC3(C)CC([NH2+]CC4=COC=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052018	0	46	0.0	-64.23	330.99	5.18	-59.05
CC(C)COC1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052019	0	63	0.0	-65.63	447.19	12.36	-53.27
CCN1N=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052020	0	53	0.0	-69.37	373.29	9.11	-60.26
CC12CC3(C)CC([NH2+]CC4=NC5=C(CCCC5)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052021	0	56	0.0	-61.83	403.51	10.32	-51.51
CC12CC3(C)CC([NH2+]CC4=CC5=CC=NC=C5C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052022	0	55	0.0	-74.45	396.59	11.06	-63.39
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)SC=N1	REAL300012052023	0	49	0.0	-67.81	359.49	8.35	-59.46
COC1=CC(F)=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052024	0	54	0.0	-71.20	391.49	9.95	-61.25
CC(C)(C)C1=NC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300012052025	0	60	0.0	-72.87	427.21	10.53	-62.34
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=CS1	REAL300012052026	0	50	0.0	-65.44	363.70	10.30	-55.14
CS(=O)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012052027	0	55	0.0	-74.83	407.79	9.18	-65.65
CC12CC3(C)CC([NH2+]CC4=CC=C5CCCCC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052028	0	60	0.0	-67.04	418.28	13.08	-53.96
CC12CC3(C)CC([NH2+]CC4=CC=CC(C#N)=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052029	0	50	0.0	-68.64	371.55	9.04	-59.60
COC(=O)C1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CN1	REAL300012052030	0	54	0.0	-78.62	396.65	9.01	-69.61
COCC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300012052031	0	54	0.0	-71.46	391.90	8.60	-62.86
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C)=C1OC	REAL300012052032	0	61	0.0	-71.97	428.76	10.45	-61.52
CC12CC3(C)CC([NH2+]CC4=CSC(Cl)=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052033	0	47	0.0	-60.93	375.96	10.57	-50.36
CC1=NC(F)=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052034	0	52	0.0	-75.25	371.91	9.33	-65.92
COC1=CC(C)=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052035	0	57	0.0	-65.52	405.13	10.61	-54.91
CC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CS1	REAL300012052036	0	50	0.0	-66.96	367.44	10.34	-56.62
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N=N1	REAL300012052037	0	51	0.0	-76.14	366.51	8.27	-67.87
CC12CC3(C)CC([NH2+]CC4=CN=C(C(F)(F)F)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052038	0	49	0.0	-73.84	381.65	8.99	-64.85
CN1N=NC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052039	0	49	0.0	-79.03	350.58	6.99	-72.04
CC12CC3(C)CC([NH2+]CC4=CC=CC(S(C)(=O)=O)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052040	0	56	0.0	-77.98	416.27	8.10	-69.88
CC12CC3(C)CC([NH2+]CC4=CC(Cl)=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052041	0	47	0.0	-67.88	362.68	10.21	-57.67
CC12CC3(C)CC([NH2+]CC4=CC=C(C5CCCC5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052042	0	63	0.0	-67.04	439.19	13.77	-53.27
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N(C)N=C1	REAL300012052043	0	53	0.0	-69.59	376.52	8.76	-60.83
CC1=CC(Cl)=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052044	0	53	0.0	-67.61	393.72	11.75	-55.86
COCC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012052045	0	57	0.0	-69.60	410.64	10.32	-59.28
CC12CC3(C)CC([NH2+]CC4=NC=CN4C4=CC=CC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052046	0	57	0.0	-60.31	412.58	12.23	-48.08
CC12CC3(C)CC([NH2+]CC4=CC=C(C5CC5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052047	0	57	0.0	-66.92	404.80	12.68	-54.24
CC12CC3(C)CC([NH2+]CC4=NC=C(Cl)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052048	0	46	0.0	-64.36	356.84	8.34	-56.02
C=CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300012052049	0	51	0.0	-74.43	370.19	9.60	-64.83
CC12CC3(C)CC([NH2+]CC4=CC=NN4C4CCCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052050	0	60	0.0	-72.07	422.31	11.06	-61.01
COC1=CC2=CC=CC=C2C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052051	0	60	0.0	-62.50	428.81	12.20	-50.30
CC12CC3(C)CC([NH2+]CC4=CC=C(C(F)F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052052	0	53	0.0	-70.70	387.76	11.46	-59.24
COC1=CC(C)=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C)=N1	REAL300012052053	0	59	0.0	-69.35	416.26	8.32	-61.03
COC1=CC=CC(Cl)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052054	0	54	0.0	-61.85	397.79	10.35	-51.50
CCC1=CC(OC)=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052055	0	60	0.0	-66.18	417.93	11.14	-55.04
CC1=NC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N1C1=CC=CC=C1	REAL300012052056	0	60	0.0	-66.35	432.33	13.06	-53.29
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=NN1C	REAL300012052057	0	53	0.0	-67.73	375.16	8.83	-58.90
CCCN1N=C(C)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1C	REAL300012052058	0	62	0.0	-71.20	439.78	10.94	-60.26
CC12CC3(C)CC([NH2+]CC4=CN=C(C5CC5)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052059	0	55	0.0	-73.83	397.58	10.24	-63.59
COCCN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300012052060	0	57	0.0	-73.66	413.59	8.30	-65.36
CC12CC3(C)CC([NH2+]CC4=CC=C(C5CCC5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052061	0	60	0.0	-66.34	421.34	13.17	-53.17
COC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC2=CC=CC=C21	REAL300012052062	0	60	0.0	-70.61	430.05	12.18	-58.43
CCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1F	REAL300012052063	0	57	0.0	-76.46	413.16	10.88	-65.58
COC1=CC=CC2=C(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)C=CC=C12	REAL300012052064	0	60	0.0	-68.11	424.33	12.06	-56.05
CC12CC3(C)CC([NH2+]CC4=CC(C#N)=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052065	0	48	0.0	-73.90	366.31	10.09	-63.81
COC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1C#N	REAL300012052066	0	55	0.0	-80.42	404.71	10.29	-70.13
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052067	0	60	0.0	-63.28	430.94	12.41	-50.87
CC12CC3(C)CC([NH2+]CC4=NC=C(C(F)(F)F)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052068	0	49	0.0	-71.77	380.92	8.89	-62.88
CC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1C#N	REAL300012052069	0	54	0.0	-77.16	395.00	11.47	-65.69
CC1=CN=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012052070	0	49	0.0	-67.73	362.28	8.53	-59.20
CC(C)CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300012052071	0	59	0.0	-72.40	421.23	10.78	-61.62
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4C4CC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052072	0	57	0.0	-64.03	397.99	12.55	-51.48
CCC1=CN=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012052073	0	52	0.0	-67.62	383.76	9.31	-58.31
CN1C(=O)CCC2=CC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=CC=C21	REAL300012052074	0	61	0.0	-78.33	432.29	11.50	-66.83
CC1=CC=C(OC(F)F)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052075	0	57	0.0	-64.81	414.30	10.88	-53.93
CC1=NN(C(C)C)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052076	0	59	0.0	-70.54	418.26	10.35	-60.19
CC12CC3(C)CC([NH2+]CC4=CN=C(C5CCCC5)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052077	0	59	0.0	-67.18	426.90	11.19	-55.99
CC12CC3(C)CC([NH2+]CC4=CN=C(C5CC5)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052078	0	53	0.0	-68.12	392.91	10.20	-57.92
CC(C)C1=NC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012052079	0	55	0.0	-67.19	403.96	9.88	-57.31
CC12CC3(C)CC([NH2+]CC4=CN=C(C5=CC=CO5)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052080	0	53	0.0	-69.87	403.38	9.68	-60.19
CN1C=C(C2=CC=C(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)C=C2)C=N1	REAL300012052081	0	60	0.0	-71.70	435.70	11.88	-59.82
CC12CC3(C)CC([NH2+]CC4=CN(CC(F)F)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052082	0	53	0.0	-72.49	392.91	9.53	-62.96
CN(C)C(=O)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N1	REAL300012052083	0	58	0.0	-80.36	412.30	8.76	-71.60
CC12CC3(C)CC([NH2+]CC4=CC(C(N)=O)=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052084	0	51	0.0	-70.34	381.33	6.44	-63.90
CCC1=NN(C)C(CC)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052085	0	62	0.0	-66.26	435.97	10.83	-55.43
CC12CC3(C)CC([NH2+]CC4=CN=C(C5CCC5)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052086	0	56	0.0	-67.15	409.56	10.67	-56.48
CC12CC3(C)CC([NH2+]CC4=CN=C(C5CCCO5)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052087	0	57	0.0	-69.61	419.32	8.82	-60.79
CC1=CC=CC=C1N1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N=N1	REAL300012052088	0	59	0.0	-76.47	429.04	11.27	-65.20
CN1N=C(Br)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052089	0	50	0.0	-75.62	377.91	8.65	-66.97
CN1C=C(C2=CC=C(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)S2)C=N1	REAL300012052090	0	57	0.0	-71.56	428.95	11.26	-60.30
CC12CC3(C)CC([NH2+]CC4=CC=C5OCCCCOC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052091	0	62	0.0	-72.41	434.05	11.44	-60.97
CCOC1=C(Cl)C=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052092	0	57	0.0	-61.19	422.45	11.45	-49.74
CCC1=CC=CC(F)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052093	0	56	0.0	-67.08	395.73	11.80	-55.28
CC12CC3(C)CC([NH2+]CC4=NN(C(F)F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052094	0	50	0.0	-64.78	371.05	8.43	-56.35
CC12CC3(C)CC([NH2+]CC4=CC=NN4C4=CC=C(F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052095	0	57	0.0	-65.64	418.21	11.54	-54.10
CC(C)C1=CN=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012052096	0	55	0.0	-67.47	403.71	9.89	-57.58
CC(C)(C)C1=CN=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012052097	0	58	0.0	-61.78	420.87	10.34	-51.44
CC12CC3(C)CC([NH2+]CC4=C(C5CC5)N=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052098	0	53	0.0	-67.46	391.06	10.01	-57.45
COC(=O)C1=C(C)N(C)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052099	0	60	0.0	-77.47	432.50	11.08	-66.39
COCCCN1N=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052100	0	60	0.0	-74.90	433.24	8.90	-66.00
CC1=CC(F)=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(Cl)=C1	REAL300012052101	0	53	0.0	-60.70	395.76	11.67	-49.03
CSCC1=CN=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012052102	0	53	0.0	-69.97	406.99	9.75	-60.22
CC12CC3(C)CC([NH2+]CC4=CSC=C4C(F)(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052103	0	50	0.0	-56.68	374.92	10.55	-46.13
CCN1N=C(C)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052104	0	55	0.0	-64.98	395.91	8.20	-56.78
CC12CC3(C)CC([NH2+]CC4=CC=CC(C5CC5)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052105	0	57	0.0	-67.19	404.21	12.66	-54.53
CC1=NN(C)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052106	0	53	0.0	-71.95	378.14	8.74	-63.21
CC12CC3(C)CC([NH2+]CC4=CC=C(C#N)C(F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052107	0	51	0.0	-83.91	382.35	11.02	-72.89
CC12CC3(C)CC([NH2+]CC4=CC=C5OC(F)(F)OC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052108	0	53	0.0	-74.84	394.60	9.67	-65.17
CC1=CC(F)=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(F)=C1	REAL300012052109	0	53	0.0	-62.31	387.61	11.30	-51.01
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300012052110	0	60	0.0	-62.37	439.01	10.99	-51.38
CC(C)CN1N=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052111	0	59	0.0	-71.88	417.92	10.61	-61.27
COC(=O)C1=C(C)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CN1	REAL300012052112	0	57	0.0	-69.65	412.61	9.58	-60.07
CC(C)(C#N)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012052113	0	60	0.0	-73.77	432.20	12.53	-61.24
CC(C)C1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052114	0	59	0.0	-65.38	409.46	12.36	-53.02
CC12CC3(C)CC([NH2+]CC4=NN5CCCCC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052115	0	57	0.0	-62.00	399.59	9.90	-52.10
CC12CC3(C)CC([NH2+]CC4=CN=NN4C4=CC=CC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052116	0	56	0.0	-69.56	405.93	10.20	-59.36
CC12CC3(C)CC([NH2+]CC4=CC5=CN=CC=C5O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052117	0	52	0.0	-75.04	377.60	9.37	-65.67
COC1=CC(OC)=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1F	REAL300012052118	0	58	0.0	-68.11	418.81	9.30	-58.81
COC1=CC(F)=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1OC	REAL300012052119	0	58	0.0	-64.65	418.25	9.82	-54.83
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(Cl)=C1	REAL300012052120	0	53	0.0	-67.14	389.67	11.69	-55.45
CCC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052121	0	56	0.0	-66.54	397.88	12.01	-54.53
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(F)=C1	REAL300012052122	0	54	0.0	-70.63	390.64	9.89	-60.74
CC12CC3(C)CC([NH2+]CC4=CC=CC5=C4CCC5)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052123	0	57	0.0	-65.90	397.81	12.43	-53.47
COC1=CC=CC(F)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052124	0	54	0.0	-63.21	389.04	9.96	-53.25
CCCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C)=C1	REAL300012052125	0	63	0.0	-67.74	443.21	12.22	-55.52
CC12CC3(C)CC([NH2+]CC4=CC5=CC=NC=C5S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052126	0	52	0.0	-73.74	387.71	10.32	-63.42
CC12CC3(C)CC([NH2+]CC4=C5CCCN5N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052127	0	54	0.0	-68.60	382.05	9.19	-59.41
CCC1=C2OC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=CC2=CC=C1	REAL300012052128	0	59	0.0	-71.38	425.77	12.52	-58.86
C=CCCN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N=N1	REAL300012052129	0	56	0.0	-76.80	407.52	9.23	-67.57
CC12CC3(C)CC([NH2+]CC4=CC=NN4CC4CC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052130	0	57	0.0	-66.23	401.31	10.52	-55.71
CC12CC3(C)CC([NH2+]CC4=CC=CC(OC5CC5)=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052131	0	58	0.0	-61.99	420.92	11.54	-50.45
CCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C)=C1	REAL300012052132	0	60	0.0	-68.33	422.31	11.36	-56.97
CC12CC3(C)CC([NH2+]CC4=CC=CC(F)=C4OC(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052133	0	54	0.0	-65.34	399.33	10.26	-55.08
CC12CC3(C)CC([NH2+]CC4=CC(F)=CC=C4OC(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052134	0	54	0.0	-68.53	399.28	10.28	-58.25
COC1=NC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052135	0	53	0.0	-61.76	380.76	7.35	-54.41
CC12CC3(C)CC([NH2+]CC4=CC=CC(C5CCCC5)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052136	0	63	0.0	-66.90	439.80	13.78	-53.12
CN1C=C(C2=NN(C)C=C2C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300012052137	0	60	0.0	-75.32	438.40	9.55	-65.77
COCC1=CSC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052138	0	54	0.0	-68.41	400.52	9.41	-59.00
CC12CC3(C)CC([NH2+]CC4=CN(C5CCC5)N=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052139	0	56	0.0	-76.13	397.18	9.04	-67.09
CC12CC3(C)CC([NH2+]CC4=CSC(C(F)(F)F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052140	0	50	0.0	-74.45	386.20	10.73	-63.72
CC12CC3(C)CC([NH2+]CC4=CC=C(C(F)(F)F)O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052141	0	50	0.0	-67.46	376.91	9.93	-57.53
CC12CC3(C)CC([NH2+]CC4=C(C(F)(F)F)SC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052142	0	50	0.0	-57.94	377.33	10.70	-47.24
CN(C)C1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=CC(F)=C1F	REAL300012052143	0	58	0.0	-74.84	415.34	10.62	-64.22
CC12CC3(C)CC([NH2+]CC4=C(F)C=CC(F)=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052144	0	50	0.0	-65.44	380.80	11.07	-54.37
CC12CC3(C)CC([NH2+]CC4=CC=C(OC5CCOC5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052145	0	62	0.0	-72.38	440.93	10.22	-62.16
CN(C)C1=CC(F)=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1F	REAL300012052146	0	58	0.0	-65.60	420.41	10.15	-55.45
CC12CC3(C)CC([NH2+]CC4=CC=C(F)C(F)=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052147	0	50	0.0	-66.68	372.13	10.73	-55.95
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1OC1CC1	REAL300012052148	0	62	0.0	-73.43	444.79	11.43	-62.00
CCCN1N=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052149	0	56	0.0	-71.55	399.59	9.83	-61.72
CN1N=C(C(F)(F)F)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052150	0	53	0.0	-78.28	397.37	9.13	-69.15
CCCC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012052151	0	56	0.0	-66.71	410.08	12.04	-54.67
CC12CC3(C)CC([NH2+]CC4=CC=C(C5=CC=CS5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052152	0	57	0.0	-70.82	422.95	13.20	-57.62
CC(C)C1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052153	0	59	0.0	-66.98	415.80	12.50	-54.48
CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(Cl)=N1	REAL300012052154	0	50	0.0	-63.55	375.00	8.79	-54.76
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1C(C)(C)C	REAL300012052155	0	66	0.0	-68.54	455.66	12.56	-55.98
CC12CC3(C)CC([NH2+]CC4=CC=CC(CC5CCC5)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052156	0	63	0.0	-66.83	446.63	14.09	-52.74
COC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1Cl	REAL300012052157	0	54	0.0	-72.69	400.53	10.42	-62.27
CC12CC3(C)CC([NH2+]CC4=CC=NN4CC4CCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052158	0	60	0.0	-72.28	426.10	11.10	-61.18
CC12CC3(C)CC([NH2+]CC4=CN(C5=CC=C(F)C=C5)N=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052159	0	56	0.0	-79.88	414.31	10.46	-69.42
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4CC(F)(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052160	0	56	0.0	-71.66	404.71	12.14	-59.52
CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(Br)=N1	REAL300012052161	0	50	0.0	-62.64	379.04	8.86	-53.78
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(F)=C1	REAL300012052162	0	53	0.0	-68.95	382.56	11.27	-57.68
CC(=O)NC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052163	0	57	0.0	-75.33	411.67	9.48	-65.85
CN1N=CC2=CC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=CN=C21	REAL300012052164	0	55	0.0	-79.13	399.88	9.72	-69.41
CC12CC3(C)CC([NH2+]CC4=CC=C(CC(F)(F)F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052165	0	56	0.0	-71.06	416.56	12.37	-58.69
CN1N=C2CCCCC2=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052166	0	60	0.0	-70.76	419.77	10.57	-60.19
CC1=C(C)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CS1	REAL300012052167	0	53	0.0	-65.57	381.57	10.91	-54.66
CC12CC3(C)CC([NH2+]CC4=CN=C(Cl)C(F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052168	0	49	0.0	-77.92	373.17	9.27	-68.65
CC12CC3(C)CC([NH2+]CC4=C(Br)SC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052169	0	47	0.0	-65.53	363.00	10.21	-55.32
CC12CC3(C)CC([NH2+]CC4=CC=C(F)C5=CC=CC=C45)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052170	0	56	0.0	-70.60	401.51	12.74	-57.86
CC12CC3(C)CC([NH2+]CC4=CC=CN=C4Br)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052171	0	49	0.0	-59.75	366.10	9.28	-50.47
CC(C)OC1=CC=C(F)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052172	0	60	0.0	-65.83	429.91	11.55	-54.28
CCOC1=CC(F)=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052173	0	57	0.0	-70.44	413.35	10.87	-59.57
CC12CC3(C)CC([NH2+]CC4=CC=C(OC(F)F)C=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052174	0	54	0.0	-71.66	400.38	10.17	-61.49
CC(C)(C)OC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1	REAL300012052175	0	63	0.0	-69.57	435.98	11.72	-57.85
CC1=C(Cl)C=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052176	0	53	0.0	-65.81	383.85	11.62	-54.19
COC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C(F)C=C1C	REAL300012052177	0	57	0.0	-61.41	409.10	10.65	-50.76
CC(C)(C)C1=CSC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052178	0	58	0.0	-68.02	421.00	10.12	-57.90
COCCC1=NC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012052179	0	56	0.0	-69.15	416.85	8.35	-60.80
CC12CC3(C)CC([NH2+]CC4=CC(F)=CC(F)=C4O)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052180	1	51	0.0	-70.43	377.21	7.91	-62.52
CN1N=C2CCSCC2=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052181	0	58	0.0	-73.30	419.39	10.23	-63.07
CC12CC3(C)CC([NH2+]CC4=CC=CC5=C4CCOC5)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052182	0	58	0.0	-66.96	401.78	10.51	-56.45
COCC1=C(C)C=C(C)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1C	REAL300012052183	0	66	0.0	-66.69	456.52	11.77	-54.92
CC12CC3(C)CC([NH2+]CC4=CC=C5OC(=O)OC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052184	0	52	0.0	-80.19	383.34	11.13	-69.06
CC12CC3(C)CC([NH2+]CC4=CC=CC5=NC=CC=C45)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052185	0	55	0.0	-71.36	391.10	10.81	-60.55
CCCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1C	REAL300012052186	0	63	0.0	-69.09	447.92	12.34	-56.75
CC12CC3(C)CC([NH2+]CC4=CC5=NC=CN=C5C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052187	0	54	0.0	-72.89	391.04	8.97	-63.92
CCOC1=CC=CC(F)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052188	0	57	0.0	-62.58	410.90	10.89	-51.69
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=CC=C1[N+](=O)[O-]	REAL300012052189	0	55	0.0	-72.93	392.64	11.66	-61.27
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052190	0	58	0.0	-72.76	412.27	12.11	-60.65
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(F)=C1OC	REAL300012052191	0	58	0.0	-76.48	423.04	9.90	-66.58
COC(=O)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(F)=C1	REAL300012052192	0	56	0.0	-75.50	415.92	11.25	-64.25
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4OCC(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052193	0	57	0.0	-71.30	418.60	11.20	-60.10
CC1=COC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052194	0	50	0.0	-65.05	358.22	9.39	-55.66
CC12CC3(C)CC([NH2+]CC4=CC=C(Cl)C=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052195	0	49	0.0	-71.93	366.72	9.22	-62.71
CC1=CC(C#N)=CC(C)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052196	0	57	0.0	-72.83	409.50	12.01	-60.82
CC1=CN=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300012052197	0	49	0.0	-67.64	352.40	6.13	-61.51
CC12CC3(C)CC([NH2+]CC4=CN(CCF)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052198	0	53	0.0	-74.46	386.51	9.39	-65.07
CC(C)(C)C1=COC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052199	0	58	0.0	-68.66	412.97	7.75	-60.91
CCCC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012052200	0	59	0.0	-66.91	419.97	12.81	-54.10
CC1=C2C=C(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)C=NC2=NN1	REAL300012052201	0	55	0.0	-78.43	398.64	9.09	-69.34
CC12CC3(C)CC([NH2+]CC4=NC=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052202	0	46	0.0	-68.30	340.36	7.72	-60.58
CN1N=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C2=CC=CC=C21	REAL300012052203	0	56	0.0	-70.28	404.94	10.48	-59.80
CC12CC3(C)CC([NH2+]CC4=C5C=CC=CC5=NN4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052204	0	53	0.0	-73.69	382.47	9.20	-64.49
CC12CC3(C)CC([NH2+]CC4=NNC5=CC=CC=C54)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052204	1	53	0.0	-70.32	382.08	9.20	-61.12
CN1C(Cl)=NC(Cl)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052205	0	50	0.0	-75.41	388.45	9.86	-65.55
CCC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012052206	0	53	0.0	-66.81	388.58	11.26	-55.55
CC12CC3(C)CC([NH2+]CC4=NC=CC5=CC=CC=C54)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052207	0	55	0.0	-69.36	393.30	10.85	-58.51
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N2C=CC=CC2=N1	REAL300012052208	0	56	0.0	-69.76	402.06	11.55	-58.21
CCC1=NC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012052209	0	52	0.0	-67.55	383.18	9.28	-58.27
COC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)SC=C1	REAL300012052210	0	51	0.0	-63.53	375.70	8.99	-54.54
CC12CC3(C)CC([NH2+]CC4=CC(C5=CC=CC=N5)=NN4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052211	0	56	0.0	-74.61	411.18	8.81	-65.80
CC12CC3(C)CC([NH2+]CC4=CSC=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052212	0	47	0.0	-67.52	360.32	9.98	-57.54
CC1=NN2C(=NC(C)=C2C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012052213	0	55	0.0	-71.20	409.34	9.74	-61.46
CCCC(C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2)C1=CC=CC=C1	REAL300012052214	0	62	0.0	-62.67	433.84	13.21	-49.46
CC12CC3(C)CC([NH2+]CC4=C(Cl)C=CC5=CC=CN=C54)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052215	0	55	0.0	-60.01	409.32	11.50	-48.51
CC12CC3(C)CC([NH2+]CC4CC5CCC4C5)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052216	0	57	0.0	-69.40	380.27	11.18	-58.22
CC12CC3(C)CC([NH2+]CC4=CC=C(F)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052217	0	49	0.0	-77.77	356.84	8.74	-69.03
CC12CC3(C)CC([NH2+]CC4=CC=C(C(F)(F)F)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052218	0	50	0.0	-73.61	385.86	10.88	-62.73
CC1(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CCC1	REAL300012052219	0	53	0.0	-65.79	359.25	10.20	-55.59
CC12CC3(C)CC([NH2+]CC4(C(F)F)CC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052220	0	50	0.0	-65.69	352.72	10.22	-55.47
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)NN=C1	REAL300012052221	0	50	0.0	-69.41	355.57	7.55	-61.86
CC1=CNN=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052221	1	50	0.0	-62.94	356.44	7.62	-55.32
CC1=CN=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N1C	REAL300012052222	0	53	0.0	-62.68	375.96	9.43	-53.25
CC(C)C1CCC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)CC1	REAL300012052223	0	65	0.0	-68.83	432.48	12.63	-56.20
COCC1=CC=CC=C1C=C(C)C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052224	0	64	0.0	-71.19	454.29	12.19	-59.00
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052225	0	60	0.0	-69.19	428.36	11.39	-57.80
CC12CC3(C)CC([NH2+]CC4=CON=C4CC4=CC=CC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052226	0	59	0.0	-75.10	429.61	12.24	-62.86
CCC1=NOC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052227	0	52	0.0	-70.75	372.94	9.35	-61.40
CN1N=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1Cl	REAL300012052228	0	50	0.0	-68.15	374.20	8.72	-59.43
CC12CC3(C)CC([NH2+]CC4=CC5=CC=CN=C5O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052229	0	52	0.0	-69.18	378.23	8.07	-61.11
CC1=CN=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052230	0	52	0.0	-69.84	366.48	9.34	-60.50
CC12CC3(C)CC([NH2+]CC4=CC5=CC(Cl)=CN=C5O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052231	0	52	0.0	-77.78	394.41	8.53	-69.25
CC12CC3(C)CC([NH2+]C[C@@H]4C[C@H]4C4=CC=CC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052232	0	57	0.0	-70.91	404.17	12.67	-58.24
CC12CC3(C)CC([NH2+]CC4=CC=NC=C4Br)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052233	0	49	0.0	-60.69	366.38	9.39	-51.30
CC12CC3(C)CC([NH2+]CC4=CC=C(S(C)(=O)=O)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052234	0	53	0.0	-77.96	408.08	7.26	-70.70
CC12CC3(C)CC([NH2+]CC4=CC=NN4C4=CC=CC=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052235	0	56	0.0	-62.24	407.77	11.26	-50.98
CC(C)(C)N1N=NC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052236	0	57	0.0	-67.87	408.93	8.38	-59.49
CC(C)N1C=CN=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052237	0	56	0.0	-61.77	396.44	10.39	-51.38
CN1N=CC(C(F)(F)F)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052238	0	53	0.0	-63.22	392.36	9.15	-54.07
CN1N=CC(C2CC2)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052239	0	57	0.0	-70.44	405.71	10.21	-60.23
CN1N=CC(C2CCC2)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052240	0	60	0.0	-69.54	421.85	10.69	-58.85
CC1=NC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N1C	REAL300012052241	0	53	0.0	-73.26	375.24	9.50	-63.76
CC1=C2C=C(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)NC2=CC=C1	REAL300012052242	0	57	0.0	-70.58	408.41	11.15	-59.43
CC12CC3(C)CC([NH2+]CC4=CC=NN4C4=CC=NC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052243	0	56	0.0	-65.66	406.80	9.70	-55.96
CC1=CC=C2C=C(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)NC2=C1	REAL300012052244	0	57	0.0	-70.70	408.83	11.17	-59.53
CC1=NC=CN=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052245	0	51	0.0	-63.98	361.96	7.37	-56.61
CCOC1=CN=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052246	0	56	0.0	-70.86	401.28	8.98	-61.88
CC12CC3(C)CC([NH2+]CC4=CC=NC=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052247	0	49	0.0	-61.87	362.79	9.28	-52.59
CC12CC3(C)CC([NH2+]CC4=CC=NN4C4CCOCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052248	0	61	0.0	-75.09	431.23	9.21	-65.88
CC12CC3(C)CC([NH2+]CC4=CC=CC5=NNC=C54)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052249	0	53	0.0	-73.19	381.70	9.29	-63.90
CCC(F)(F)C(C)(C)C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052250	0	58	0.0	-71.27	395.09	10.96	-60.31
CC12CC3(C)CC([NH2+]CC4=CC=NC(F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052251	0	49	0.0	-73.81	356.30	8.74	-65.07
CC12CC3(C)CC([NH2+]CC4=CC=C5C=CNC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052252	0	54	0.0	-69.17	386.94	10.60	-58.57
CC12CC3(C)CC([NH2+]CC4=CC5=C(C=CNC5=O)O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052253	0	53	0.0	-75.48	387.60	8.06	-67.42
CC12CC3(C)CC([NH2+]CC4=CC=C(C(F)F)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052254	0	52	0.0	-73.34	383.59	9.69	-63.65
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052255	0	59	0.0	-69.88	426.83	10.99	-58.89
CC12CC3(C)CC([NH2+]CC4=CN(CC5CCOC5)N=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052256	0	60	0.0	-69.06	430.02	8.02	-61.04
COC1=CN=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1C	REAL300012052257	0	56	0.0	-69.41	394.12	8.74	-60.67
CC1=CC(C)=C(C=CC[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C)=C1	REAL300012052258	0	63	0.0	-69.24	445.60	13.71	-55.53
CC12CC3(C)CC([NH2+]CC4=CN(CC5CCCO5)N=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052259	0	60	0.0	-78.11	430.00	8.15	-69.96
CCCN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N=N1	REAL300012052260	0	55	0.0	-77.09	394.71	8.67	-68.42
CN(C)C1=CC=C(F)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052261	0	58	0.0	-63.78	412.61	10.66	-53.12
CC12CC3(C)CC([NH2+]CC4=CN(C5CC5)C=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052262	0	54	0.0	-61.08	386.36	11.22	-49.86
CC12CC3(C)CC([NH2+]CC4=CC5=CC=CC(F)=C5N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052263	0	55	0.0	-81.36	402.41	11.00	-70.36
CC1=CC(C)=C(C=CC[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1C	REAL300012052264	0	63	0.0	-68.90	442.51	13.60	-55.30
CC1=NSC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052265	0	49	0.0	-68.32	362.13	8.99	-59.33
CC12CC3(C)CC([NH2+]CC4=CC=C(S(N)(=O)=O)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052266	0	55	0.0	-78.38	409.81	5.54	-72.84
CCN1N=CN=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052267	0	52	0.0	-64.94	368.42	9.72	-55.22
CC12CC3(C)CC([NH2+]CC4=CN=C(C5CC5)O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052268	0	53	0.0	-70.67	383.71	7.85	-62.82
CCC1=CNC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052269	0	53	0.0	-64.38	378.36	8.64	-55.74
CC12CC3(C)CC([NH2+]CC4=NC=CC5=C4CCCC5)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052270	0	59	0.0	-68.34	407.96	11.06	-57.28
CC1=NN(C)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1Cl	REAL300012052271	0	53	0.0	-72.38	394.07	9.22	-63.16
CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C2CCCC2)=N1	REAL300012052272	0	63	0.0	-69.26	443.31	11.48	-57.78
CC12CC3(C)CC([NH2+]CC4=CC=C5OCCCC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052273	0	58	0.0	-69.85	408.70	11.19	-58.66
CN(C)C(=O)C1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052274	0	60	0.0	-80.62	426.42	10.42	-70.20
CCC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(Cl)=NN1	REAL300012052275	0	53	0.0	-63.25	393.70	8.71	-54.54
CC12CC3(C)CC([NH2+]CC4=C(C5CC5)NN=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052276	0	54	0.0	-70.95	401.93	9.53	-61.42
CCC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C)=NO1	REAL300012052277	0	55	0.0	-72.34	393.75	10.15	-62.19
CCN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N=N1	REAL300012052278	0	52	0.0	-77.35	373.21	7.91	-69.44
CC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C2CCCCC2=N1	REAL300012052279	0	62	0.0	-69.90	428.17	11.76	-58.14
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4N4CCCCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052280	0	65	0.0	-60.38	448.82	12.63	-47.75
CCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300012052281	0	54	0.0	-70.08	390.60	10.07	-60.01
CC12CC3(C)CC([NH2+]CC4=CSC(C(F)(F)F)=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052282	0	49	0.0	-64.96	381.22	8.68	-56.28
CCN1C=NC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052283	0	53	0.0	-69.82	378.87	10.74	-59.08
CC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CN=C1F	REAL300012052284	0	52	0.0	-77.17	376.63	9.36	-67.81
CC1=CC(F)=NC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052285	0	52	0.0	-72.60	372.85	9.28	-63.32
CC12CC3(C)CC([NH2+]CC4=CC=C(C(F)F)C(F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052286	0	53	0.0	-80.33	394.42	11.54	-68.79
COC(=O)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1C	REAL300012052287	0	59	0.0	-74.51	426.43	11.77	-62.74
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C)=C1	REAL300012052288	0	57	0.0	-68.52	400.45	10.43	-58.09
CC1=C(Cl)C=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1Cl	REAL300012052289	0	53	0.0	-69.42	400.44	12.03	-57.39
CC1CC2=CC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=CC=C2O1	REAL300012052290	0	58	0.0	-70.69	412.61	11.20	-59.49
CC12CC3(C)CC([NH2+]CC4=CC=CC5=C4OC(=O)N5)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052291	0	53	0.0	-81.48	387.33	8.08	-73.40
CC12CC3(C)CC([NH2+]CC4=CC=CC5=C4OCC5)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052292	0	55	0.0	-66.72	391.33	10.40	-56.32
CSCC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012052293	0	57	0.0	-69.61	421.70	12.48	-57.13
CC12CC3(C)CC([NH2+]CC4=CN(CC5CCC5)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052294	0	60	0.0	-68.68	427.85	11.33	-57.35
CN1N=C2CCOCC2=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052295	0	58	0.0	-71.53	410.88	8.19	-63.34
CN1N=C2CCCC2=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052296	0	57	0.0	-71.26	401.74	10.05	-61.21
CC12CC3(C)CC([NH2+]CC4=CC=NN4C4CCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052297	0	57	0.0	-72.06	402.61	10.45	-61.61
CC12CC3(C)CC([NH2+]CC4=CN(C5CCC5)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052298	0	57	0.0	-68.32	403.74	10.36	-57.96
COC1=CC=C(C)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052299	0	57	0.0	-64.68	399.31	10.48	-54.20
CN1C=NC2=CC=CC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=C21	REAL300012052300	0	56	0.0	-69.71	389.98	11.61	-58.10
CCC1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052301	0	56	0.0	-65.24	389.01	11.86	-53.38
CN(C)C(=O)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012052302	0	60	0.0	-77.21	427.40	10.44	-66.77
CC1=CC(F)=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052303	0	53	0.0	-68.41	383.40	11.31	-57.10
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C)=C1C	REAL300012052304	0	59	0.0	-65.06	405.69	12.25	-52.81
CCNC(=O)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012052305	0	60	0.0	-74.72	433.54	9.71	-65.01
CC(C)(C)C1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052306	0	62	0.0	-59.42	407.70	12.97	-46.45
CC12CC3(C)CC([NH2+]CC4=CN=C5CCCCCN45)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052307	0	60	0.0	-72.24	411.07	10.97	-61.27
COC1=CC=C2SC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=CC2=C1	REAL300012052308	0	57	0.0	-68.14	422.51	11.41	-56.73
CC12CC3(C)CC([NH2+]CC4=CON=C4C4CC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052309	0	53	0.0	-71.30	383.11	10.17	-61.13
CCN1CCC2=CC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=CC=C21	REAL300012052310	0	62	0.0	-68.80	433.60	11.06	-57.74
CCN(C)C(=O)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012052311	0	63	0.0	-81.25	449.55	11.44	-69.81
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=NN1C(C)C	REAL300012052312	0	59	0.0	-67.03	417.59	10.41	-56.62
CSC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1Cl	REAL300012052313	0	54	0.0	-74.67	410.81	12.04	-62.63
CC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1C1CC1	REAL300012052314	0	60	0.0	-67.29	422.61	13.21	-54.08
CCOC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=N1	REAL300012052315	0	56	0.0	-69.90	403.94	8.21	-61.69
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1C1CC1	REAL300012052316	0	60	0.0	-66.55	421.43	13.20	-53.35
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300012052317	0	51	0.0	-66.22	368.75	9.15	-57.07
COCCOC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300012052318	0	58	0.0	-72.15	424.23	9.31	-62.84
CC1=NN(C(C)C)C(C)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052319	0	62	0.0	-70.89	438.91	10.90	-59.99
CC12CC3(C)CC([NH2+]CC4=NN(CCF)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052320	0	53	0.0	-64.51	386.57	9.29	-55.22
CCN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C)=N1	REAL300012052321	0	56	0.0	-71.22	399.57	9.83	-61.39
CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C2CC2)=N1	REAL300012052322	0	57	0.0	-68.70	409.81	10.55	-58.15
CN1N=C(C2CC2)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052323	0	57	0.0	-70.49	407.32	10.23	-60.26
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052324	0	60	0.0	-74.33	426.35	13.56	-60.77
CC(C)C1=NOC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052325	0	55	0.0	-73.40	393.79	9.87	-63.53
CC12CC3(C)CC([NH2+]CC4=CN=C(C5CCOCC5)O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052326	0	60	0.0	-70.04	427.85	7.03	-63.01
COC1=NC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1F	REAL300012052327	0	53	0.0	-65.08	387.66	7.33	-57.75
CC12CC3(C)CC([NH2+]CC4=CN5C=CN=C5S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052328	0	50	0.0	-78.21	372.38	10.53	-67.68
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C(C(C)(C)C)O1	REAL300012052329	0	62	0.0	-67.66	437.68	12.12	-55.54
CC1=C(C)SC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052330	0	52	0.0	-61.95	380.47	9.02	-52.93
CC12CC3(C)CC([NH2+]CC4=CN(CC5=CC=CC=C5)N=N4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052331	0	59	0.0	-79.54	433.15	10.91	-68.63
CC1OC2=CC=C(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)C=C2C1C	REAL300012052332	0	61	0.0	-70.43	433.23	11.81	-58.62
CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1OC(F)F	REAL300012052333	0	57	0.0	-65.60	414.92	10.90	-54.70
CC12CC3(C)CC([NH2+]CC4=CSN=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052334	0	46	0.0	-71.00	340.09	8.22	-62.78
CC(C)CC1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052335	0	62	0.0	-65.08	423.99	12.94	-52.14
CN1N=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1S(C)(=O)=O	REAL300012052336	0	56	0.0	-81.88	408.02	5.92	-75.96
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)NN=C1C(F)(F)F	REAL300012052337	0	53	0.0	-74.75	392.71	8.52	-66.23
CC(C)CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N=N1	REAL300012052338	0	58	0.0	-76.83	410.41	9.31	-67.52
CC12CC3(C)CC([NH2+]CC4=NC(C5CC5)=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052339	0	53	0.0	-62.36	390.83	9.78	-52.58
CC12CC3(C)CC([NH2+]CC4=CC(C(F)(F)F)=NN4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052340	0	50	0.0	-76.95	376.64	7.92	-69.03
CC12CC3(C)CC([NH2+]CC4=CC=C5CCOC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052341	0	55	0.0	-67.95	391.44	10.44	-57.51
CN1C=C(Cl)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052342	0	50	0.0	-63.79	374.44	8.78	-55.01
CC12CC3(C)CC([NH2+]CC4=C(S(C)(=O)=O)SC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052343	0	53	0.0	-68.98	395.64	7.44	-61.54
CSC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052344	0	54	0.0	-70.37	395.79	11.60	-58.77
CC(C)C1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)N(C)N=C1	REAL300012052345	0	59	0.0	-69.02	416.88	10.04	-58.98
CC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC(C)=N1	REAL300012052346	0	55	0.0	-71.03	393.68	10.04	-60.99
CCCN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C)=N1	REAL300012052347	0	59	0.0	-71.10	421.07	10.59	-60.51
CCN1C=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052348	0	53	0.0	-63.06	379.98	9.16	-53.90
CC12CC3(C)CC([NH2+]CC4=CC5=NC=CC=C5O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052349	0	52	0.0	-73.10	377.62	9.27	-63.83
CC1=C(C)OC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052350	0	52	0.0	-64.95	372.12	6.68	-58.27
CC12CC3(C)CC([NH2+]CC4=CC=C(CC5CC5)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052351	0	57	0.0	-66.99	420.19	12.82	-54.17
CC12CC3(C)CC([NH2+]CC4=CC=C(OC5CC5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052352	0	58	0.0	-70.45	416.11	11.55	-58.90
CNC(=O)C1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052353	0	57	0.0	-79.10	412.05	8.86	-70.24
CC12CC3(C)CC([NH2+]CC4=CC=C(C5CC5)C(C5CC5)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052354	0	64	0.0	-67.05	449.96	14.59	-52.46
CCNC(=O)C1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052356	0	60	0.0	-78.77	433.54	9.70	-69.07
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)OC2=CC=C(F)C=C12	REAL300012052357	0	56	0.0	-67.32	409.69	11.80	-55.52
CC12CC3(C)CC([NH2+]CC4=CC(C5CCC5)=NN4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052358	0	57	0.0	-70.41	402.11	9.48	-60.93
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052359	0	60	0.0	-74.25	435.65	11.70	-62.55
CCCN1C=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052360	0	56	0.0	-62.87	401.48	9.92	-52.95
CC(C)N1C=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052361	0	56	0.0	-62.28	398.66	9.67	-52.61
CC(C)(C)C1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CN=C1	REAL300012052362	0	61	0.0	-71.21	426.39	11.07	-60.14
CC12CC3(C)CC([NH2+]CC4=NN(CC(F)(F)F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052363	0	53	0.0	-67.29	397.86	9.65	-57.64
CN1C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=NC2=C1CCCC2	REAL300012052364	0	60	0.0	-62.11	417.71	11.24	-50.87
COC1=NC(Cl)=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052365	0	53	0.0	-64.68	397.57	7.76	-56.92
CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C(F)(F)F)=N1	REAL300012052366	0	53	0.0	-76.11	392.35	9.36	-66.75
CC12CC3(C)CC([NH2+]CC4=CC=CC(C(F)F)=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052367	0	53	0.0	-63.00	393.58	11.50	-51.50
CC12CC3(C)CC([NH2+]CC4=CC=CC5=C4COCC5)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052368	0	58	0.0	-69.58	402.26	10.56	-59.02
CCOC1=CC=C(Cl)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052369	0	57	0.0	-62.96	421.71	11.36	-51.60
COC1=NN(C)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052370	0	54	0.0	-73.00	391.29	6.32	-66.68
CC12CC3(C)CC([NH2+]CC4=NC5=C(COCC5)S4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052371	0	54	0.0	-63.48	394.41	7.91	-55.57
CC12CC3(C)CC([NH2+]CC4=CNN=C4C4=CC=CC(F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052372	0	57	0.0	-71.52	418.40	10.50	-61.02
CC12CC3(C)CC([NH2+]CC4=CC5=C(CCCC5)O4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052373	0	57	0.0	-67.83	399.28	11.40	-56.43
CC12CC3(C)CC([NH2+]CC4=CC(F)=CC([N+](=O)[O-])=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052374	0	52	0.0	-82.54	390.21	11.32	-71.22
CC12CC3(C)CC([NH2+]CC4=CN(C5CCCCC5)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052375	0	63	0.0	-71.90	440.22	11.63	-60.27
CC1=COC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052376	0	49	0.0	-68.75	352.40	5.92	-62.83
CN(CCO)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300012052377	0	61	0.0	-70.58	435.15	8.15	-62.43
COC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=CC=C1C(C)(C)C	REAL300012052378	0	66	0.0	-63.10	447.33	12.36	-50.74
CN1C=C(Br)N=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052379	0	50	0.0	-65.27	377.80	9.46	-55.81
COC1=CC(C)=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300012052380	0	56	0.0	-70.33	398.61	7.82	-62.51
COC1=CC(C)=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1O	REAL300012052381	0	58	0.0	-69.51	410.00	8.30	-61.21
CC12CC3(C)CC([NH2+]CC4=CC5=CC=C(F)C=C5NC4=O)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052382	0	56	0.0	-82.41	411.75	9.69	-72.72
CN1C(=O)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC2=CC=CC=C21	REAL300012052383	0	59	0.0	-61.01	422.92	11.38	-49.63
COC1=NC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1C	REAL300012052384	0	56	0.0	-63.64	402.87	7.96	-55.68
CCCN1C=NC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052385	0	56	0.0	-72.44	398.94	11.41	-61.03
CC12CC3(C)CC([NH2+]CC4=CC=CNC4=O)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052386	0	50	0.0	-61.77	359.20	7.50	-54.27
CC12CC3(C)CC([NH2+]CC=CC4=CC=C5OCOC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052387	0	57	0.0	-78.41	412.68	10.53	-67.88
CC12CC3(C)CC([NH2+]CC4=CC=C(CC5CCC5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052388	0	63	0.0	-66.92	446.65	14.11	-52.81
CCC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=NN1CC	REAL300012052389	0	59	0.0	-65.36	415.00	10.49	-54.87
CC12CC3(C)CC([NH2+]CC4=C(F)C=CC(Cl)=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052390	0	50	0.0	-66.31	382.38	11.12	-55.19
CC12CC3(C)CC([NH2+]CC4=CC(C5CC5)=NN4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052391	0	54	0.0	-71.34	387.19	9.04	-62.30
CC12CC3(C)CC([NH2+]CC4=CC=NN4C4CC4(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052392	0	54	0.0	-76.42	400.12	10.15	-66.27
COC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=CS1	REAL300012052393	0	51	0.0	-60.88	376.53	8.99	-51.89
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C(F)(F)F)=CO1	REAL300012052394	0	53	0.0	-72.02	394.35	10.35	-61.67
CC(F)(F)C1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1	REAL300012052395	0	56	0.0	-71.34	408.79	12.11	-59.23
CC12CC3(C)CC([NH2+]CC4=CC=C(C5=CSC=C5)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052396	0	56	0.0	-74.50	418.50	11.36	-63.14
CN1C=C(C2=NNC=C2C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300012052397	0	57	0.0	-75.35	415.43	8.23	-67.12
CCCN1N=C(C)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1Cl	REAL300012052398	0	59	0.0	-63.06	437.04	10.85	-52.21
CC(C)(C#N)C1=NC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300012052399	0	56	0.0	-77.87	421.70	9.98	-67.89
CC12CC3(C)CC([NH2+]CC4=CC(F)=CC(F)=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052400	0	50	0.0	-74.02	373.84	10.74	-63.28
CC12CC3(C)CC([NH2+]CC4=CC=C(C5=CSC=C5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052401	0	57	0.0	-69.02	421.15	13.00	-56.02
CC(C)(C)C1=NNC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052402	0	59	0.0	-72.00	417.58	9.40	-62.60
CC12CC3(C)CC([NH2+]CC4=CC=CC5=CC(Cl)=CC=C54)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052403	0	56	0.0	-68.09	412.62	13.21	-54.88
C=CCC1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052404	0	57	0.0	-66.64	402.71	12.44	-54.20
CCN1CCCC2=CC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=CC=C21	REAL300012052405	0	65	0.0	-67.20	444.22	11.71	-55.49
COCC1=CN=C(OC)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052406	0	60	0.0	-69.57	434.92	7.11	-62.46
CN1N=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1Br	REAL300012052407	0	50	0.0	-67.38	378.30	8.79	-58.59
CC12CC3(C)CC([NH2+]CC=CC4=CC=CC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052408	0	54	0.0	-71.41	386.62	11.87	-59.54
CC12CC3(C)CC([NH2+]CC4=CN=NN4C4CC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052409	0	53	0.0	-72.44	381.47	8.59	-63.85
COCC1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052410	0	57	0.0	-67.42	402.04	10.42	-57.00
CC12CC3(C)CC([NH2+]CC4=CC=C5CCOCC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052411	0	58	0.0	-68.83	408.70	10.65	-58.18
CC12CC3(C)CC([NH2+]CC4=CN(CCO)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052412	0	54	0.0	-74.23	391.34	5.89	-68.34
CC12CC3(C)CC([NH2+]CC4=CC(C5=CC=NC=C5)=NN4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052413	0	56	0.0	-77.78	410.20	8.75	-69.03
COC1=CC=C(F)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1OC	REAL300012052414	0	58	0.0	-62.39	419.93	9.86	-52.53
CC12CC3(C)CC([NH2+]CC=CC4=CC=NC=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052415	0	53	0.0	-73.32	381.64	10.11	-63.21
CN1C=CC(C2=NNC=C2C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052416	0	57	0.0	-60.36	415.29	8.62	-51.74
C=CC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012052417	0	54	0.0	-67.39	386.70	11.68	-55.71
CC12CC3(C)CC([NH2+]CC4=CC=CC(OCC5CCC5)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052418	0	64	0.0	-69.71	455.14	12.93	-56.78
CC(F)(F)C1=CC=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052419	0	56	0.0	-69.38	396.17	12.06	-57.32
CCN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C2CC2)=N1	REAL300012052420	0	60	0.0	-68.32	431.35	11.42	-56.90
CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C2=CC=NN2C)=N1	REAL300012052421	0	60	0.0	-75.29	440.24	9.53	-65.76
CC(C)(C)C1=NOC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052422	0	58	0.0	-66.53	396.41	10.21	-56.32
CC12CC3(C)CC([NH2+]CC4=CC5=CN=CC=C5C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052423	0	55	0.0	-74.38	396.57	11.06	-63.32
CC1=CC2=CC=CC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=C2O1	REAL300012052424	0	56	0.0	-69.26	404.81	11.74	-57.52
CC12CC3(C)CC([NH2+]CC4=CC=CC(F)=C4C(F)(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052425	0	53	0.0	-80.02	388.88	11.61	-68.41
COC1=CSC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1OC	REAL300012052426	0	55	0.0	-67.13	408.33	8.62	-58.51
CC12CC3(C)CC([NH2+]CC4=CON=C4C4CCC4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052427	0	56	0.0	-72.94	399.70	10.64	-62.30
CC12CC3(C)CC([NH2+]CC4=C(S(C)(=O)=O)C=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052428	0	53	0.0	-62.44	396.86	7.19	-55.25
CC12CC3(C)CC([NH2+]CC4=CC(S(C)(=O)=O)=CO4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052429	0	53	0.0	-75.92	398.81	6.14	-69.78
CC12CC3(C)CC([NH2+]CC4=CC=C(C(F)(F)F)C=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052430	0	53	0.0	-74.81	399.89	11.60	-63.21
CC(C)OC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1F	REAL300012052431	0	60	0.0	-76.48	431.11	11.51	-64.97
CCN1C=C(Cl)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052432	0	53	0.0	-63.62	395.96	9.63	-53.99
CC12CC3(C)CC([NH2+]CC4=CC=C(F)C(Cl)=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052433	0	50	0.0	-65.51	381.59	11.16	-54.35
CC12CC3(C)CC([NH2+]CC4=CC=CC(C(F)F)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052434	0	53	0.0	-72.40	389.74	11.52	-60.88
CC12CC3(C)CC([NH2+]CC4=C(F)C5=CC=CC=C5C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052435	0	56	0.0	-62.02	405.52	12.83	-49.19
CC12CC3(C)CC([NH2+]CC4=CC(S(C)(=O)=O)=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052436	0	53	0.0	-73.16	407.23	7.18	-65.98
CC12CC3(C)CC([NH2+]CC4=CSC(Cl)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052437	0	47	0.0	-71.09	362.61	10.15	-60.94
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=NN1C1CCC1	REAL300012052438	0	60	0.0	-67.34	422.53	11.10	-56.24
CC1=NN(C2CCCC2)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052439	0	63	0.0	-68.64	443.08	11.65	-56.99
CC12CC3(C)CC([NH2+]CC4=CC=NN4CC(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052440	0	53	0.0	-76.94	391.21	9.35	-67.59
CC12CC3(C)CC([NH2+]CC4=C(F)C=CN=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052441	0	49	0.0	-62.76	370.10	9.19	-53.57
CC12CC3(C)CC([NH2+]CC4=CN(C5=CC=CC(F)=C5)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052442	0	57	0.0	-72.54	420.82	11.86	-60.68
CN(C)C1=CN=CC(F)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052443	0	57	0.0	-62.08	408.82	8.67	-53.41
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052444	0	59	0.0	-66.31	431.67	10.94	-55.37
CC12CC3(C)CC([NH2+]CC4=NN(C5CCC5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052445	0	57	0.0	-68.21	403.22	10.25	-57.96
CC12CC3(C)CC([NH2+]CC4=NN(CC(F)F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052446	0	53	0.0	-65.50	391.83	9.48	-56.02
CC12CC3(C)CC([NH2+]CC4=NN(C5CC5(F)F)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052447	0	54	0.0	-67.84	401.50	10.01	-57.83
CC1=NN(C2CCCCC2)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052448	0	66	0.0	-70.45	460.62	12.14	-58.31
CC12CC3(C)CC([NH2+]CC4=CN(C5CCOCC5)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052449	0	61	0.0	-69.26	431.00	9.23	-60.03
CC1=CN(C)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300012052450	0	53	0.0	-62.48	376.57	9.52	-52.96
CC12CC3(C)CC([NH2+]CC4=NN(C5CCCC5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052451	0	60	0.0	-67.84	420.78	10.92	-56.92
CC12CC3(C)CC([NH2+]CC4=CC(S(N)(=O)=O)=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052452	0	52	0.0	-73.40	400.80	4.57	-68.83
CC12CC3(C)CC([NH2+]CC4=NC=C(Cl)C=C4Cl)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052453	0	49	0.0	-62.48	380.84	9.63	-52.85
CC1=NSC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052454	0	49	0.0	-71.11	356.46	8.79	-62.32
CC1=NN(C2CCCC2)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052455	0	63	0.0	-70.45	440.91	11.60	-58.85
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4C(F)F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052456	0	53	0.0	-69.66	379.22	11.55	-58.11
CC12CC3(C)CC([NH2+]CC4=CC5=CNN=C5C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052457	0	53	0.0	-77.95	381.83	9.29	-68.66
CC12CC3(C)CC([NH2+]CC4=CC=C(Cl)C(F)=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052458	0	50	0.0	-65.54	382.03	11.17	-54.37
CC1=C(F)C=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052459	0	53	0.0	-66.49	375.10	11.21	-55.28
CN1C=C(C2=CC=CC(C[NH2+]C34CC5(C)CC(C)(C3)CC(C(=O)[O-])(C5)C4)=C2)C=N1	REAL300012052460	0	60	0.0	-71.15	435.12	11.86	-59.29
COC1=C(C#N)C=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052461	0	55	0.0	-67.25	404.77	10.37	-56.88
CC12CC3(C)CC([NH2+]CC4=CC=NC(Br)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052462	0	49	0.0	-72.37	371.34	9.29	-63.08
CC1=NC(Cl)=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052463	0	52	0.0	-73.93	382.36	9.82	-64.11
CC(C)(C)COC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052464	0	66	0.0	-69.12	467.37	12.91	-56.21
COC1=CC(Cl)=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052465	0	54	0.0	-70.11	401.81	10.40	-59.71
COC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC(F)=C1F	REAL300012052466	0	54	0.0	-76.99	397.60	10.01	-66.98
COC1=CC(C)=NC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052467	0	56	0.0	-67.26	400.84	8.78	-58.48
CC(C)N1C=NC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052468	0	56	0.0	-69.25	398.49	11.13	-58.12
CN1N=CC=C1C1=NNC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052469	0	57	0.0	-87.46	404.75	7.81	-79.65
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C2CC2)=NO1	REAL300012052470	0	56	0.0	-73.41	405.44	11.00	-62.41
COC(=O)C1=C(C)NC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1C	REAL300012052471	0	60	0.0	-75.11	439.26	10.26	-64.85
CC(C)OC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300012052472	0	57	0.0	-69.66	410.90	10.79	-58.87
CC12CC3(C)CC([NH2+]CC4=C(Cl)C=CC5=C4OCO5)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052473	0	53	0.0	-61.52	395.66	9.63	-51.89
CC12CC3(C)CC([NH2+]CC4=CC(F)=CC(C#N)=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052474	0	51	0.0	-78.13	382.85	11.03	-67.10
CC12CC3(C)CC([NH2+]CC4=CC=C(C5CCCCC5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052475	0	66	0.0	-67.02	457.42	14.40	-52.62
COC1=CC=CC=C1C=CC[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052476	0	58	0.0	-68.21	415.00	11.23	-56.98
CC1=NN(C2CCC2)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052477	0	60	0.0	-70.81	424.15	10.90	-59.91
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=NN1CC(F)F	REAL300012052478	0	56	0.0	-70.34	409.72	9.98	-60.36
CC12CC3(C)CC([NH2+]CC4=CC=C(C5=CC=CC=N5)N=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052479	0	58	0.0	-74.54	424.76	10.93	-63.61
CCCN1N=C(C)C(Cl)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052480	0	59	0.0	-63.84	437.97	10.85	-52.99
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052481	0	57	0.0	-76.42	418.30	9.82	-66.60
COC1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C)=N1	REAL300012052482	0	56	0.0	-71.34	397.67	7.86	-63.48
CCN(C)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C)=C1	REAL300012052483	0	64	0.0	-64.88	443.67	12.55	-52.33
CC12CC3(C)CC([NH2+]CC4=C(Cl)C(Cl)=CS4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052484	0	47	0.0	-69.67	377.03	10.59	-59.08
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=NS1	REAL300012052485	0	49	0.0	-69.15	357.74	8.99	-60.16
COC1=CC(C)=CC(OC)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052486	0	61	0.0	-60.02	433.30	9.96	-50.06
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=NO1	REAL300012052487	0	49	0.0	-69.78	350.76	8.83	-60.95
CC12CC3(C)CC([NH2+]CC4=CC=C(CF)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052488	0	53	0.0	-70.34	383.56	11.41	-58.93
CC12CC3(C)CC([NH2+]CC4=CC=C5SC=CC5=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052489	0	53	0.0	-71.13	392.50	11.94	-59.19
CC12CC3(C)CC([NH2+]CC4=CC=C(C5=CC=NC=C5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052490	0	59	0.0	-73.15	424.99	12.24	-60.91
CC12CC3(C)CC([NH2+]CC4=CC=CC=C4CO)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052491	0	54	0.0	-68.28	379.79	8.02	-60.26
CC1=NSC(C)=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052492	0	52	0.0	-69.60	378.50	9.49	-60.11
CC(C)(C)C1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=NO1	REAL300012052493	0	58	0.0	-65.29	395.61	10.53	-54.76
CC1=CC=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1C(F)(F)F	REAL300012052494	0	56	0.0	-73.62	399.93	12.15	-61.47
C=CCN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=N1	REAL300012052495	0	54	0.0	-69.33	392.73	9.80	-59.53
CC12CC3(C)CC([NH2+]CC4=CC5=NNC=C5C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052496	0	53	0.0	-74.75	381.24	9.27	-65.48
CCC(C)C1=CC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300012052497	0	62	0.0	-66.99	434.25	13.18	-53.81
CC(F)(F)C1=NC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CC=C1	REAL300012052498	0	55	0.0	-66.80	404.69	10.52	-56.28
CC12CC3(C)CC([NH2+]CC4=CC=CC5=C4CCCC5)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052499	0	60	0.0	-65.68	410.96	12.94	-52.74
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052500	0	57	0.0	-73.12	416.59	12.50	-60.62
CC12CC3(C)CC([NH2+]CC4=CC=CC(C(F)(F)F)=C4F)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052501	0	53	0.0	-77.12	399.06	11.59	-65.53
CC12CC3(C)CC([NH2+]CC4=CC=C(N5C=CN=N5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052502	0	56	0.0	-83.20	407.95	10.49	-72.71
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C=CC2=CC=CC=C21	REAL300012052503	0	59	0.0	-66.78	411.97	13.30	-53.48
COC1=C2C=CNC2=CC=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052504	0	58	0.0	-66.47	417.08	10.08	-56.39
CC1=NC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C(C)S1	REAL300012052505	0	52	0.0	-68.50	380.46	8.98	-59.52
CC12CC3(C)CC([NH2+]CC4=CC=C(N5CCC(O)C5)C=C4)(C1)CC(C(=O)[O-])(C2)C3	REAL300012052506	0	63	0.0	-69.98	440.98	7.55	-62.43
CCCN1N=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1C	REAL300012052507	0	59	0.0	-67.42	418.44	10.48	-56.94
CC1=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C2=NC=CC=C2C=C1	REAL300012052508	0	58	0.0	-67.01	410.74	11.64	-55.37
CC1=CC(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=CN=C1N1C=CC=N1	REAL300012052509	0	59	0.0	-75.23	426.56	11.88	-63.35
COC(=O)C1=CN(C)C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300012052510	0	57	0.0	-79.98	416.92	10.69	-69.29
CCCN1N=C(C)C=C1C[NH2+]C12CC3(C)CC(C)(C1)CC(C(=O)[O-])(C3)C2	REAL300012052511	0	59	0.0	-67.55	416.14	10.43	-57.12
CN1C=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)C(C2CCC2)=N1	REAL300012052512	0	60	0.0	-70.84	426.73	10.97	-59.87
CC(C)(C)C1=NC=C(C[NH2+]C23CC4(C)CC(C)(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300012052513	0	58	0.0	-67.47	414.77	8.07	-59.40
CC1=CC=C(N2C=C(C[NH2+]CCC(F)C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012052514	0	51	0.0	-61.51	395.69	11.10	-50.41
CC1=NN(C2=CC=CC(C(F)(F)F)=C2)C(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052515	0	42	0.0	-63.93	382.46	9.82	-54.11
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012052516	0	47	0.0	-66.62	390.57	10.00	-56.62
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052517	0	39	0.0	-61.59	349.76	8.88	-52.71
COC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052518	0	50	0.0	-66.37	415.24	10.73	-55.64
O=C([O-])C(F)CC[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012052519	0	46	0.0	-63.86	385.48	11.41	-52.45
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012052520	0	47	0.0	-66.19	407.71	10.53	-55.66
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCC1=CC=C(F)C=C1	REAL300012052521	0	47	0.0	-66.80	397.39	10.08	-56.72
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C2)C=C1	REAL300012052522	0	47	0.0	-70.37	391.54	8.14	-62.23
O=C([O-])C(F)CC[NH2+]CC1=CC(NC(=O)C2=CC=CC=C2Cl)=CC=C1	REAL300012052523	0	43	0.0	-70.31	374.79	9.37	-60.94
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCC(=O)N1CCOCC1	REAL300012052524	0	52	0.0	-76.63	419.69	7.05	-69.58
N#CCCN1C=C(C[NH2+]CCC(F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012052525	0	43	0.0	-67.87	372.17	9.39	-58.48
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OC(F)F	REAL300012052526	0	37	0.0	-66.69	318.56	6.31	-60.38
O=C([O-])C(F)CC[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC(Cl)=C1	REAL300012052527	0	46	0.0	-63.32	402.36	11.94	-51.38
O=C([O-])C(F)CC[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012052528	0	45	0.0	-64.03	380.11	9.63	-54.40
O=C([O-])C(F)CC[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(Cl)C=C1	REAL300012052529	0	46	0.0	-66.22	402.50	11.95	-54.27
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1	REAL300012052530	0	36	0.0	-62.34	331.60	9.34	-53.00
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=CC=C1OCC1=CC=CC=C1	REAL300012052531	0	43	0.0	-57.72	381.66	10.81	-46.91
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OCC2=CC=CC=C2)C(Br)=C1	REAL300012052532	0	43	0.0	-65.59	381.74	10.77	-54.82
CCOC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(Br)=C1OC	REAL300012052533	0	40	0.0	-67.32	355.41	7.70	-59.62
COC1=C(Br)C=C(Br)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052534	0	33	0.0	-61.10	321.35	7.49	-53.61
CCOC1=C(Br)C=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OC	REAL300012052535	0	40	0.0	-67.30	355.41	7.74	-59.56
C=CCOC1=C(Br)C=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OC	REAL300012052536	0	41	0.0	-67.82	367.90	8.31	-59.51
C=CCOC1=C(Br)C=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OCC	REAL300012052537	0	44	0.0	-67.55	390.17	9.23	-58.32
CCCOC1=C(Br)C=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OC	REAL300012052538	0	43	0.0	-67.14	376.91	8.54	-58.60
CCCOC1=C(Br)C=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OCC	REAL300012052539	0	46	0.0	-67.06	398.76	9.46	-57.60
CCCOC1=CC=C(Br)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052540	0	39	0.0	-56.58	342.84	8.55	-48.03
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012052541	0	43	0.0	-55.24	359.91	10.19	-45.05
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012052542	0	38	0.0	-67.84	338.91	9.39	-58.45
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012052543	0	38	0.0	-68.71	338.48	9.39	-59.32
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1Br	REAL300012052544	0	33	0.0	-64.22	299.97	6.79	-57.43
CCCCOC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OC	REAL300012052545	0	46	0.0	-64.64	374.06	8.54	-56.10
CCCCCCOC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OC	REAL300012052546	0	52	0.0	-64.65	416.65	10.09	-54.56
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012052547	0	36	0.0	-62.24	327.03	9.24	-53.00
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012052548	0	36	0.0	-61.00	327.19	9.28	-51.72
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1	REAL300012052549	0	36	0.0	-62.22	331.60	9.34	-52.88
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012052550	0	36	0.0	-61.15	334.63	10.13	-51.02
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(OC)=C1OCC1=CC=CC=C1	REAL300012052551	0	51	0.0	-69.85	423.72	9.94	-59.91
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012052552	0	38	0.0	-65.60	334.80	10.01	-55.59
CN1C=C(C[NH2+]CCC(F)C(=O)[O-])C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012052553	0	48	0.0	-67.66	392.59	7.94	-59.72
O=C([O-])C(F)CC[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012052554	0	35	0.0	-60.19	321.72	7.69	-52.50
O=C([O-])C(F)CC[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012052555	0	33	0.0	-63.75	306.46	8.30	-55.45
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=C([N+](=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012052556	0	49	0.0	-64.61	410.31	10.57	-54.04
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012052557	0	36	0.0	-64.56	310.06	4.53	-60.03
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012052558	0	38	0.0	-67.55	346.08	10.28	-57.27
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012052559	0	38	0.0	-64.73	347.11	10.33	-54.40
COC1=CC=C(C2=NNC=C2C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052560	0	40	0.0	-63.39	336.28	5.98	-57.41
CCOC1=C(C[NH2+]CCC(F)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012052561	0	48	0.0	-57.02	376.21	6.92	-50.10
O=C([O-])C(F)CC[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012052562	0	42	0.0	-67.30	350.74	5.86	-61.44
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012052563	0	44	0.0	-63.70	358.79	7.45	-56.25
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012052564	0	36	0.0	-61.46	324.71	9.68	-51.78
CC1=CC=CC(C2=NN(C3=CC=C(F)C=C3)C=C2C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052565	0	49	0.0	-65.84	413.25	12.13	-53.71
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=CC=C1OCC1=CC=CC=N1	REAL300012052566	0	42	0.0	-61.01	374.44	9.10	-51.91
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012052567	0	42	0.0	-59.23	352.74	8.48	-50.75
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)S1	REAL300012052568	0	36	0.0	-61.25	339.19	10.23	-51.02
CC(C)N1N=CC2=CC(C[NH2+]CCC(F)C(=O)[O-])=C(Cl)N=C21	REAL300012052569	0	40	0.0	-66.58	348.89	7.94	-58.64
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012052570	0	36	0.0	-59.69	335.14	10.14	-49.55
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012052571	0	46	0.0	-68.39	385.45	8.23	-60.16
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012052572	0	36	0.0	-60.80	327.11	9.79	-51.01
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2Br)S1	REAL300012052573	0	36	0.0	-59.90	338.28	10.20	-49.70
O=C([O-])C(F)CC[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012052574	0	32	0.0	-58.65	300.64	8.31	-50.34
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(I)=C1OC	REAL300012052575	0	37	0.0	-66.96	338.77	7.24	-59.72
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(Cl)=C1OC	REAL300012052576	0	37	0.0	-62.18	325.08	6.62	-55.56
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052577	0	45	0.0	-60.62	385.38	10.12	-50.50
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)S1	REAL300012052578	0	36	0.0	-60.87	339.60	10.23	-50.64
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012052579	0	33	0.0	-61.34	304.69	6.99	-54.35
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012052580	0	36	0.0	-60.91	335.04	10.13	-50.78
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C2)=C1	REAL300012052581	0	44	0.0	-64.59	382.19	10.50	-54.09
O=C([O-])C(F)CC[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012052582	0	39	0.0	-68.83	332.55	5.35	-63.48
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012052583	0	40	0.0	-68.16	350.64	7.42	-60.74
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012052584	0	42	0.0	-64.99	356.21	8.35	-56.64
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012052585	0	35	0.0	-65.50	314.91	6.65	-58.85
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=C2OCCCOC2=C1	REAL300012052586	0	38	0.0	-66.73	333.76	7.44	-59.29
O=C([O-])C(F)CC[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012052587	0	39	0.0	-69.77	349.58	8.99	-60.78
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=N1	REAL300012052588	0	45	0.0	-69.32	368.17	6.76	-62.56
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012052589	0	36	0.0	-62.78	320.99	7.52	-55.26
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(Br)=C1OC(F)F	REAL300012052590	0	37	0.0	-69.11	340.97	7.06	-62.05
CN1C=C(C[NH2+]CCC(F)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012052591	0	42	0.0	-61.17	358.93	8.85	-52.32
CC1=CC=C(C2=NC(C[NH2+]CCC(F)C(=O)[O-])=CS2)C=C1	REAL300012052592	0	38	0.0	-59.02	336.31	8.30	-50.72
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012052593	0	43	0.0	-62.28	365.04	10.28	-52.00
O=C([O-])C(F)CC[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012052594	0	39	0.0	-61.43	346.90	7.16	-54.27
O=C([O-])C(F)CC[NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012052595	0	38	0.0	-61.09	354.00	8.63	-52.46
O=C([O-])C(F)CC[NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1	REAL300012052596	0	39	0.0	-61.65	363.63	7.67	-53.98
CC1=CC=C(OCC2=NC(C[NH2+]CCC(F)C(=O)[O-])=CS2)C=C1	REAL300012052597	0	42	0.0	-61.31	368.30	7.82	-53.49
COC1=CC=C(OCC2=NC(C[NH2+]CCC(F)C(=O)[O-])=CS2)C=C1	REAL300012052598	0	43	0.0	-62.72	376.39	6.44	-56.28
O=C([O-])C(F)CC[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012052599	0	32	0.0	-59.29	306.34	6.57	-52.72
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012052600	0	36	0.0	-61.96	324.31	9.68	-52.28
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052601	0	43	0.0	-58.96	356.43	7.71	-51.25
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=C([N+](=O)[O-])C=C1OCC(F)(F)F	REAL300012052602	0	42	0.0	-65.99	370.38	7.99	-58.00
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052603	0	46	0.0	-60.28	382.20	7.76	-52.52
CC1=CC=C(C2=CC=C(C[NH2+]CCC(F)C(=O)[O-])S2)C=C1	REAL300012052604	0	39	0.0	-59.89	339.71	10.29	-49.60
COC1=CC(OC)=CC(OC2=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C2)=C1	REAL300012052605	0	48	0.0	-65.01	399.87	8.37	-56.64
O=C([O-])C(F)CC[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012052606	0	35	0.0	-68.79	316.16	7.14	-61.65
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052607	0	33	0.0	-61.14	312.39	7.27	-53.87
CCOCCOC1=CC=C(Br)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052608	0	43	0.0	-56.99	376.83	7.97	-49.02
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012052609	0	29	0.0	-57.28	284.46	7.90	-49.38
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012052610	0	29	0.0	-56.84	283.47	7.90	-48.94
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012052611	0	40	0.0	-62.81	351.58	9.82	-52.99
CCOC1=C(OC)C=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OC	REAL300012052612	0	44	0.0	-68.58	364.22	6.90	-61.68
COC1=CC=C(OC(F)F)C(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052613	0	37	0.0	-60.28	317.83	5.76	-54.52
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(Br)=C1OC(F)F	REAL300012052614	0	33	0.0	-60.18	305.83	7.08	-53.10
O=C([O-])C(F)CC[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012052615	0	33	0.0	-55.44	302.44	6.88	-48.56
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012052616	0	49	0.0	-61.09	404.73	11.67	-49.42
CC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012052617	0	42	0.0	-64.13	355.76	8.71	-55.42
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012052618	0	47	0.0	-59.03	391.75	8.12	-50.91
CC1=CC=C(C2=NC=C(C[NH2+]CCC(F)C(=O)[O-])S2)C=C1	REAL300012052619	0	38	0.0	-62.17	336.89	8.54	-53.63
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012052620	0	36	0.0	-62.94	325.20	8.89	-54.05
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])O1	REAL300012052621	0	39	0.0	-62.55	337.25	9.47	-53.08
CCC1=CC=C(C2=CC=C(C[NH2+]CCC(F)C(=O)[O-])O2)C=C1	REAL300012052622	0	42	0.0	-61.04	353.19	10.16	-50.88
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(OC(F)F)=C1	REAL300012052623	0	37	0.0	-62.75	317.83	5.77	-56.98
CC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1Br	REAL300012052624	0	32	0.0	-61.35	289.96	8.02	-53.33
CC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1Br	REAL300012052625	0	32	0.0	-62.72	289.56	8.02	-54.70
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CCC(F)C(=O)[O-])O2)C=C1	REAL300012052626	0	48	0.0	-60.61	386.82	11.04	-49.57
CC1=CC=C(C)C(OC2=CC=CC(Cl)=C2C[NH2+]CCC(F)C(=O)[O-])=C1C	REAL300012052627	0	49	0.0	-52.15	410.22	12.11	-40.04
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052628	0	49	0.0	-57.22	385.73	9.99	-47.23
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052629	0	49	0.0	-56.94	391.16	9.98	-46.96
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]CCC(F)C(=O)[O-])C=C2C)=C1	REAL300012052630	0	52	0.0	-62.81	424.95	12.30	-50.51
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]CCC(F)C(=O)[O-])C=C1C	REAL300012052631	0	52	0.0	-62.82	419.72	12.33	-50.49
CC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300012052632	0	49	0.0	-62.13	418.98	12.33	-49.80
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052633	0	47	0.0	-62.28	385.28	11.61	-50.67
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052634	0	45	0.0	-63.96	389.02	9.96	-54.00
CCN(CC)C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1F	REAL300012052635	0	43	0.0	-63.85	349.73	7.89	-55.96
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=C(SC)C=C1OC	REAL300012052636	0	41	0.0	-59.94	344.41	6.97	-52.97
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(Cl)=C1OC	REAL300012052637	0	37	0.0	-67.84	328.76	6.67	-61.17
CCOC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OC(C)C(=O)N(C)C	REAL300012052638	0	53	0.0	-76.33	422.24	8.68	-67.65
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=CC=C1OC(F)F	REAL300012052639	0	33	0.0	-61.04	309.66	7.10	-53.94
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052640	0	45	0.0	-59.54	390.74	10.00	-49.54
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OCC(C)C	REAL300012052641	0	46	0.0	-64.36	372.67	8.44	-55.92
CCOC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(Cl)=C1OC	REAL300012052642	0	40	0.0	-67.54	351.02	7.59	-59.95
CCOC1=C(Cl)C=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OC	REAL300012052643	0	40	0.0	-67.43	351.03	7.63	-59.80
CCCOC1=C(C[NH2+]CCC(F)C(=O)[O-])C=CC=C1OCC	REAL300012052644	0	46	0.0	-57.96	374.45	8.77	-49.19
CCCCOC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OC	REAL300012052645	0	46	0.0	-64.96	373.66	8.53	-56.43
CCCOC1=C(Cl)C=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OCC	REAL300012052646	0	46	0.0	-67.29	394.38	9.35	-57.94
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052647	0	45	0.0	-60.84	385.09	10.44	-50.40
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OC(F)F	REAL300012052648	0	37	0.0	-63.82	318.56	6.32	-57.50
CCOC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OC(F)F	REAL300012052649	0	40	0.0	-66.28	340.82	7.24	-59.04
CC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012052650	0	39	0.0	-63.54	327.37	7.82	-55.72
O=C([O-])C(F)CC[NH2+]CC1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300012052651	0	35	0.0	-59.70	336.61	8.24	-51.46
CC1=CC=C(C2=NN(C3=CC=C(F)C=C3)C=C2C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052652	0	49	0.0	-65.08	413.18	12.14	-52.94
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCC1=CC=C([N+](=O)[O-])C=C1	REAL300012052653	0	49	0.0	-71.07	418.79	10.68	-60.39
CCOC1=CC2=C(C=C1C[NH2+]CCC(F)C(=O)[O-])OC(C)C2	REAL300012052654	0	44	0.0	-56.43	357.13	7.72	-48.71
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012052655	0	38	0.0	-67.52	344.94	8.26	-59.26
CCC1=CC=C(C2=NN(C3=CC=CC=C3C)C=C2C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052656	0	55	0.0	-62.10	449.24	13.82	-48.28
CCCCN1N=C(C)C(C[NH2+]CCC(F)C(=O)[O-])=C1Cl	REAL300012052657	0	41	0.0	-58.92	353.01	7.88	-51.04
CCOC1=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C1OC(F)F	REAL300012052658	0	40	0.0	-58.57	339.30	7.33	-51.24
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012052659	0	47	0.0	-60.70	384.34	8.99	-51.71
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]CCC(F)C(=O)[O-])C=C1C	REAL300012052660	0	52	0.0	-64.09	423.60	12.62	-51.47
CC1=CC=CC(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052661	0	52	0.0	-64.09	432.17	12.52	-51.57
O=C([O-])C(F)CC[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012052662	0	49	0.0	-63.16	411.17	11.86	-51.30
CCC1=CC=C(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052663	0	55	0.0	-63.67	453.74	13.30	-50.37
CCCOC1=C(Cl)C=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OC	REAL300012052664	0	43	0.0	-67.33	372.52	8.43	-58.90
CC1=CC=C(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052665	0	52	0.0	-63.01	432.20	12.55	-50.46
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052666	0	51	0.0	-61.36	400.47	10.87	-50.49
CC(C)(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052667	0	48	0.0	-58.23	393.33	10.55	-47.68
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052668	0	48	0.0	-58.97	410.82	10.62	-48.35
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012052669	0	36	0.0	-65.19	325.01	8.90	-56.29
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052670	0	52	0.0	-63.60	419.25	9.31	-54.29
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052671	0	48	0.0	-63.95	388.33	11.15	-52.80
CC1(C)CCC2=C(C1)SC(C[NH2+]CCC(F)C(=O)[O-])=N2	REAL300012052672	0	41	0.0	-57.33	334.69	7.50	-49.83
CC1=CC=C(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+]CCC(F)C(=O)[O-])C=C1C	REAL300012052673	0	55	0.0	-62.54	450.35	13.09	-49.45
O=C([O-])C(F)CC[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012052674	0	36	0.0	-64.53	323.57	7.22	-57.31
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCC1=C(C)ON=C1C	REAL300012052675	0	49	0.0	-70.02	408.26	8.79	-61.23
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012052676	0	35	0.0	-65.51	310.93	6.53	-58.98
CC1=CC=C(CN2C=C(C[NH2+]CCC(F)C(=O)[O-])C(C3=CC=C(C)C=C3)=N2)C=C1	REAL300012052677	0	55	0.0	-63.03	453.50	13.24	-49.79
CCCCC1=C(C[NH2+]CCC(F)C(=O)[O-])C2=CC=CC=C2O1	REAL300012052678	0	44	0.0	-62.21	362.82	10.30	-51.91
O=C([O-])C(F)CC[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012052679	0	42	0.0	-70.39	357.37	11.51	-58.88
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012052680	0	44	0.0	-66.21	381.21	9.08	-57.13
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052681	0	42	0.0	-65.35	351.81	8.97	-56.38
COC1=CC=C(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052682	0	53	0.0	-65.45	440.25	11.18	-54.27
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012052683	0	38	0.0	-67.02	329.37	7.32	-59.70
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300012052684	0	43	0.0	-61.61	374.49	10.69	-50.92
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012052685	0	36	0.0	-69.78	327.62	7.60	-62.18
O=C([O-])C(F)CC[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012052686	0	35	0.0	-68.29	326.50	7.43	-60.86
O=C([O-])C(F)CC[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012052687	0	35	0.0	-66.81	325.96	7.24	-59.57
CC1=CC(Br)=CC(C[NH2+]CCC(F)C(=O)[O-])=C1OC(F)F	REAL300012052688	0	36	0.0	-58.20	326.76	7.76	-50.44
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012052689	0	26	0.0	-63.27	277.78	7.13	-56.14
CC1=CC=C(SC2=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012052690	0	45	0.0	-76.54	393.90	12.02	-64.52
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012052691	0	46	0.0	-75.80	385.57	11.78	-64.02
COC1=CC=C(C2=CC=C(C[NH2+]CCC(F)C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012052692	0	42	0.0	-66.90	363.89	9.30	-57.60
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012052693	0	36	0.0	-63.34	342.59	9.69	-53.65
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1	REAL300012052694	0	42	0.0	-78.25	371.17	11.05	-67.20
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OC2=CC=CC=C2Cl)C([N+](=O)[O-])=C1	REAL300012052695	0	42	0.0	-80.09	381.19	11.50	-68.59
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052696	0	42	0.0	-59.55	369.28	9.32	-50.23
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052697	0	42	0.0	-60.32	384.54	9.82	-50.50
O=C([O-])C(F)CC[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CS1	REAL300012052698	0	46	0.0	-61.24	398.52	11.15	-50.09
O=C([O-])C(F)CC[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012052699	0	48	0.0	-64.85	405.56	10.09	-54.76
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052700	0	39	0.0	-61.68	360.17	9.33	-52.35
CC1=NN(CC2=CC=C(Cl)C=C2)C(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052701	0	42	0.0	-60.40	385.65	9.83	-50.57
CCCOC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OCC	REAL300012052702	0	46	0.0	-64.70	374.42	8.68	-56.02
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052703	0	42	0.0	-61.04	375.33	9.38	-51.66
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Br)C(Br)=C1	REAL300012052704	0	29	0.0	-65.24	290.72	8.00	-57.24
CCCCCCCOC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052705	0	51	0.0	-61.02	409.32	10.99	-50.03
CC(C[NH2+]CCC(F)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012052706	0	50	0.0	-59.41	382.97	11.19	-48.22
O=C([O-])C(F)CC[NH2+]CC1=CC(F)=CC=C1Br	REAL300012052707	0	29	0.0	-57.63	272.73	7.45	-50.18
CC1=CC=C(C2=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C2)C=C1	REAL300012052708	0	42	0.0	-61.50	346.08	10.92	-50.58
COC1=CC=C(Br)C(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052709	0	33	0.0	-55.22	294.94	6.71	-48.51
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052710	0	42	0.0	-60.94	346.12	10.91	-50.03
O=C([O-])C(F)CC[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012052711	0	35	0.0	-68.50	327.85	8.83	-59.67
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012052712	0	32	0.0	-68.35	301.95	8.24	-60.11
O=C([O-])C(F)CC[NH2+]CC1=CC=C(F)C=C1Br	REAL300012052713	0	29	0.0	-59.19	272.75	7.45	-51.74
COC1=CC=CC=C1C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052714	0	43	0.0	-62.04	358.27	9.90	-52.14
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012052715	0	39	0.0	-62.95	349.75	9.73	-53.22
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(Br)=C1O	REAL300012052716	0	34	0.0	-61.50	305.65	4.55	-56.95
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012052717	0	46	0.0	-69.35	385.41	8.22	-61.13
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300012052718	0	36	0.0	-62.59	349.78	10.58	-52.01
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300012052719	0	42	0.0	-61.46	371.53	8.91	-52.55
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012052720	0	47	0.0	-59.97	381.27	9.43	-50.54
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012052721	0	42	0.0	-57.41	354.75	8.40	-49.01
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OCC2=CC=C(Cl)C(Cl)=C2)C=C1	REAL300012052722	0	43	0.0	-63.72	393.25	11.09	-52.63
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012052723	0	29	0.0	-66.53	277.47	7.51	-59.02
CN1CCN(C2=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C2)CC1	REAL300012052724	1	46	0.0	-60.25	359.28	5.54	-54.71
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012052725	0	38	0.0	-66.28	331.79	5.33	-60.95
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052726	0	42	0.0	-64.95	362.13	9.42	-55.53
O=C([O-])C(F)CC[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012052727	0	36	0.0	-66.05	326.02	8.57	-57.48
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052728	0	42	0.0	-67.22	361.44	9.18	-58.04
CC1=NN(C2=CC=C(Br)C=C2)C(C)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052729	0	42	0.0	-64.97	366.69	9.53	-55.44
O=C([O-])C(F)CC[NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1	REAL300012052730	0	36	0.0	-60.02	353.91	8.76	-51.26
CC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012052731	0	48	0.0	-64.07	395.90	9.92	-54.15
COC1=CC=CC(COC2=CC=CC(Cl)=C2C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052732	0	47	0.0	-54.15	403.56	9.88	-44.27
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012052733	0	36	0.0	-64.51	320.98	7.52	-56.99
CCOC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012052734	0	50	0.0	-66.33	412.42	10.92	-55.41
O=C([O-])C(F)CC[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C([N+](=O)[O-])C=C1	REAL300012052735	0	48	0.0	-74.16	413.96	12.10	-62.06
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012052736	0	32	0.0	-67.89	297.42	6.11	-61.78
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052737	0	45	0.0	-63.14	372.29	9.44	-53.70
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052738	0	45	0.0	-64.05	382.71	9.75	-54.30
CCOC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCC(C)C	REAL300012052739	0	49	0.0	-64.56	394.12	9.35	-55.21
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=CC=C1F	REAL300012052740	0	29	0.0	-58.69	277.32	7.48	-51.21
COC1=CC(Br)=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OC	REAL300012052741	0	37	0.0	-59.30	324.57	6.63	-52.67
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Br)C=C1F	REAL300012052742	0	29	0.0	-60.28	277.33	7.49	-52.79
CCCCOC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OCC	REAL300012052743	0	49	0.0	-64.79	395.51	9.45	-55.34
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OC2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1	REAL300012052744	0	42	0.0	-67.01	381.94	11.52	-55.49
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052745	0	42	0.0	-64.41	345.80	8.91	-55.50
COC1=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C1OC(F)F	REAL300012052746	0	37	0.0	-59.00	317.05	6.41	-52.59
CCC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052747	0	52	0.0	-64.07	428.25	12.87	-51.20
O=C([O-])C(F)CC[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012052748	0	49	0.0	-61.17	388.05	10.13	-51.04
CCOC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCC(=O)N1CCCCC1	REAL300012052749	0	57	0.0	-75.51	450.79	10.39	-65.12
O=C([O-])C(F)CC[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012052750	0	29	0.0	-66.32	277.47	7.50	-58.82
CC1=CC=C(COC2=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C2)C=C1	REAL300012052751	0	46	0.0	-62.74	382.74	10.80	-51.94
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OCC1=CC=C([N+](=O)[O-])C=C1	REAL300012052752	0	49	0.0	-72.96	419.20	10.68	-62.28
CCCCCCOC1=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052753	0	48	0.0	-59.46	387.82	10.21	-49.25
CCCCCOC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OC	REAL300012052754	0	49	0.0	-64.74	395.56	9.32	-55.42
CCC(C)OC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OC	REAL300012052755	0	46	0.0	-64.48	369.75	8.37	-56.11
CCCCCCCOC1=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052756	0	51	0.0	-59.43	409.31	10.99	-48.44
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OCCCC#N	REAL300012052757	0	44	0.0	-74.41	373.01	8.27	-66.14
C=C(C)COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OC	REAL300012052758	0	44	0.0	-65.55	363.38	8.31	-57.24
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OCCC(C)C	REAL300012052759	0	49	0.0	-64.66	391.63	9.06	-55.60
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052760	0	38	0.0	-64.51	328.26	7.79	-56.72
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052761	0	39	0.0	-62.31	347.88	5.36	-56.95
CCOC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012052762	0	43	0.0	-68.36	372.49	8.34	-60.02
O=C([O-])C(F)CC[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012052763	0	42	0.0	-65.74	344.11	5.97	-59.77
C=CCOC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1Cl	REAL300012052764	0	37	0.0	-64.35	330.75	8.20	-56.15
O=C([O-])C(F)CC[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012052765	0	32	0.0	-59.07	306.94	6.66	-52.41
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012052766	0	32	0.0	-65.90	305.92	8.33	-57.57
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300012052767	0	32	0.0	-65.94	310.49	8.44	-57.50
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012052768	0	29	0.0	-58.98	284.07	7.89	-51.09
CC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(Br)=C1	REAL300012052769	0	32	0.0	-54.80	288.16	8.06	-46.74
CC(C)(C)N1C=C(C[NH2+]CCC(F)C(=O)[O-])C(C2=CC=CC=C2Cl)=N1	REAL300012052770	0	48	0.0	-61.87	404.28	10.56	-51.31
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052771	0	44	0.0	-64.51	378.80	10.53	-53.98
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012052772	0	33	0.0	-65.62	305.75	6.96	-58.66
O=C([O-])C(F)CC[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012052773	0	37	0.0	-66.04	343.10	8.29	-57.75
CN1N=C(C2=CC=CC=C2)C(C[NH2+]CCC(F)C(=O)[O-])=C1Cl	REAL300012052774	0	39	0.0	-57.12	344.78	8.33	-48.79
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012052775	0	34	0.0	-57.66	307.12	7.29	-50.37
CC1=C(Br)SC(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052776	0	29	0.0	-60.82	281.96	7.27	-53.55
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012052777	0	34	0.0	-58.12	308.76	7.89	-50.23
COC1=CC=C(OC2=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C2)C=C1	REAL300012052778	0	44	0.0	-66.05	368.27	8.97	-57.08
CC1=CC(C)=CC(C2=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C2)=C1	REAL300012052779	0	45	0.0	-61.74	367.48	11.58	-50.16
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052780	0	39	0.0	-65.96	345.20	9.16	-56.80
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012052781	0	43	0.0	-62.12	368.15	10.19	-51.93
O=C([O-])C(F)CC[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012052782	0	40	0.0	-64.44	351.06	10.94	-53.50
CC1=CC(C[NH2+]CCC(F)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012052783	0	39	0.0	-59.75	327.04	7.70	-52.05
O=C([O-])C(F)CC[NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1	REAL300012052784	0	35	0.0	-60.64	342.49	9.04	-51.60
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052785	0	35	0.0	-59.46	312.02	4.92	-54.54
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052786	0	38	0.0	-66.73	333.78	6.30	-60.43
CC(C)SC1=CC(Br)=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052787	0	39	0.0	-56.86	344.85	9.77	-47.09
CSC1=CC(Br)=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052788	0	33	0.0	-57.32	307.07	8.38	-48.94
O=C([O-])C(F)CC[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012052789	0	39	0.0	-65.73	340.72	8.57	-57.16
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OC(F)F)C(Br)=C1	REAL300012052790	0	33	0.0	-65.43	310.14	7.08	-58.35
O=C([O-])C(F)CC[NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012052791	0	42	0.0	-65.85	373.45	9.51	-56.34
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052792	0	43	0.0	-57.37	352.79	9.61	-47.76
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052793	0	43	0.0	-57.37	352.72	9.61	-47.76
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052794	0	42	0.0	-60.96	347.52	7.86	-53.10
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012052795	0	40	0.0	-57.19	361.33	10.38	-46.81
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Br)C=C1N1CCOCC1	REAL300012052796	0	42	0.0	-60.89	355.81	7.04	-53.85
COC1=CC(Cl)=C(C[NH2+]CCC(F)C(=O)[O-])C=C1Cl	REAL300012052797	0	33	0.0	-59.08	307.43	7.16	-51.92
O=C([O-])C(F)CC[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012052798	0	32	0.0	-62.31	307.36	6.93	-55.38
O=C([O-])C(F)CC[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012052799	0	32	0.0	-61.96	306.63	6.81	-55.15
CC1=CC(Br)=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052800	0	32	0.0	-61.43	286.14	8.08	-53.35
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012052801	0	29	0.0	-65.19	286.59	7.91	-57.28
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012052802	0	38	0.0	-63.45	324.33	8.55	-54.90
O=C([O-])C(F)CC[NH2+]CC1=NC=C(Br)C=C1Br	REAL300012052803	0	28	0.0	-55.29	284.52	6.10	-49.19
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012052804	0	29	0.0	-58.37	283.08	7.89	-50.48
COC1=C(Br)C=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052805	0	33	0.0	-59.44	300.44	6.89	-52.55
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012052806	0	43	0.0	-56.23	359.99	9.61	-46.62
COC1=CC(Br)=C(C[NH2+]CCC(F)C(=O)[O-])C(OC)=C1	REAL300012052807	0	37	0.0	-52.80	325.77	5.98	-46.82
O=C([O-])C(F)CC[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012052808	0	40	0.0	-51.63	350.87	10.04	-41.59
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OC2=CC=CC(Br)=C2)C=C1	REAL300012052809	0	40	0.0	-64.14	360.05	10.29	-53.85
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012052810	0	44	0.0	-56.96	374.27	8.10	-48.86
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052811	0	39	0.0	-66.01	349.76	9.26	-56.75
CC(C)C1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052812	0	45	0.0	-65.98	392.57	10.51	-55.47
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052813	0	48	0.0	-61.85	375.47	10.41	-51.44
O=C([O-])C(F)CC[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1	REAL300012052814	0	46	0.0	-67.09	391.78	11.49	-55.60
O=C([O-])C(F)CC[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012052815	0	39	0.0	-61.09	348.72	8.92	-52.17
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(OC)=C1OC	REAL300012052816	0	41	0.0	-68.74	342.37	5.95	-62.79
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052817	0	50	0.0	-58.64	400.52	11.96	-46.68
CCCCCCOC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052818	0	48	0.0	-60.98	387.82	10.21	-50.77
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012052819	0	40	0.0	-62.81	340.88	9.74	-53.07
CCCOC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(OCCC)=C1	REAL300012052820	0	49	0.0	-56.51	394.78	8.95	-47.56
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(OC)=C1OC	REAL300012052821	0	41	0.0	-63.23	337.24	5.87	-57.36
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012052822	0	47	0.0	-66.14	390.97	10.01	-56.13
COC1=CC=C(Br)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052823	0	33	0.0	-57.09	299.49	6.81	-50.28
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(Br)=C1O	REAL300012052824	0	34	0.0	-67.10	311.13	4.61	-62.49
COC1=CC(OC)=C(OC)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052825	0	41	0.0	-60.23	337.28	5.40	-54.83
O=C([O-])C(F)CC[NH2+]CC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1	REAL300012052826	0	51	0.0	-63.46	422.73	13.99	-49.47
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052827	0	39	0.0	-60.95	343.84	8.82	-52.13
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012052828	0	43	0.0	-61.38	361.32	10.11	-51.27
O=C([O-])C(F)CC[NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300012052829	0	36	0.0	-66.05	330.59	8.67	-57.38
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1I	REAL300012052830	0	29	0.0	-54.68	271.21	7.88	-46.80
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012052831	0	37	0.0	-64.03	327.17	6.05	-57.98
O=C([O-])C(F)CC[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012052832	0	46	0.0	-73.08	373.47	10.08	-63.00
O=C([O-])C(F)CC[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012052833	0	39	0.0	-59.54	330.18	8.57	-50.97
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OCC(N)=O	REAL300012052834	0	41	0.0	-78.10	347.39	3.98	-74.12
CCNC(=O)COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OC	REAL300012052835	0	47	0.0	-75.26	390.81	6.27	-68.99
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012052836	0	45	0.0	-77.38	380.95	3.80	-73.58
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012052837	0	41	0.0	-76.40	367.35	4.65	-71.75
CCN(C(C)=O)C1=NC(C[NH2+]CCC(F)C(=O)[O-])=CS1	REAL300012052838	1	38	0.0	-63.41	327.82	6.66	-56.75
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(I)=C1	REAL300012052839	0	29	0.0	-61.30	278.24	7.93	-53.37
O=C([O-])C(F)CC[NH2+]CC1=CC=C(I)C=C1	REAL300012052840	0	29	0.0	-62.65	277.84	7.93	-54.72
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=CC(Br)=C1	REAL300012052841	0	29	0.0	-63.77	292.65	8.05	-55.72
O=C([O-])C(F)CC[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012052842	0	39	0.0	-66.40	345.11	7.68	-58.72
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052843	0	42	0.0	-53.41	338.82	10.68	-42.73
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012052844	0	39	0.0	-62.57	340.99	10.77	-51.80
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012052845	0	42	0.0	-63.25	354.09	8.42	-54.83
O=C([O-])C(F)CC[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012052846	0	38	0.0	-62.80	324.15	4.15	-58.65
CC(=O)N(C1=NC(C[NH2+]CCC(F)C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300012052847	1	42	0.0	-62.89	377.13	9.21	-53.68
CC1=CC=CN2C=C(COC3=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C3)N=C12	REAL300012052848	0	49	0.0	-67.33	409.06	11.24	-56.09
O=C([O-])C(F)CC[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012052849	0	38	0.0	-63.30	341.36	6.30	-57.00
O=C([O-])C(F)CC[NH2+]CC1=CC(C(F)(F)F)=CC=C1Br	REAL300012052850	0	32	0.0	-57.92	304.21	8.42	-49.50
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Br)C=C1C(F)(F)F	REAL300012052851	0	32	0.0	-62.57	300.30	8.52	-54.05
O=C([O-])C(F)CC[NH2+]CC1=C(F)C=CC=C1Br	REAL300012052852	0	29	0.0	-52.85	273.85	7.35	-45.50
O=C([O-])C(F)CC[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012052853	0	29	0.0	-64.46	278.17	7.52	-56.94
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(F)=C1Br	REAL300012052854	0	29	0.0	-59.10	272.45	7.43	-51.67
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(Br)=C1F	REAL300012052855	0	29	0.0	-60.86	276.22	7.47	-53.39
O=C([O-])C(F)CC[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012052856	0	36	0.0	-65.94	313.98	5.14	-60.80
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(Br)=C1	REAL300012052857	0	33	0.0	-57.52	296.23	6.68	-50.84
CC1=C(Br)C=C(C[NH2+]CCC(F)C(=O)[O-])C=C1Br	REAL300012052858	0	32	0.0	-63.26	307.64	8.53	-54.73
CC1=CC(Br)=C(C[NH2+]CCC(F)C(=O)[O-])S1	REAL300012052859	0	29	0.0	-54.99	282.03	7.28	-47.71
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052860	0	44	0.0	-64.29	360.16	9.54	-54.75
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052861	0	39	0.0	-50.65	339.21	9.53	-41.12
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052862	0	44	0.0	-58.47	376.07	10.15	-48.32
O=C([O-])C(F)CC[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012052863	0	35	0.0	-62.88	332.21	8.38	-54.50
O=C([O-])C(F)CC[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012052864	0	35	0.0	-65.06	319.60	8.09	-56.97
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052865	0	46	0.0	-57.28	376.07	10.34	-46.94
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012052866	0	40	0.0	-56.32	348.87	9.22	-47.10
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012052867	0	44	0.0	-72.34	377.24	7.20	-65.14
O=C([O-])C(F)CC[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012052868	0	34	0.0	-70.32	306.96	7.82	-62.50
O=C([O-])C(F)CC[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012052869	0	35	0.0	-63.66	323.65	8.08	-55.58
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012052870	0	29	0.0	-65.31	286.59	7.91	-57.40
O=C([O-])C(F)CC[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012052871	0	41	0.0	-62.11	360.05	9.36	-52.75
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OC(F)(F)F)C(Br)=C1	REAL300012052872	0	33	0.0	-66.31	316.88	7.30	-59.01
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012052873	0	40	0.0	-64.64	345.16	9.75	-54.89
CN1C=C(C[NH2+]CCC(F)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012052874	0	39	0.0	-64.60	335.79	8.08	-56.52
CNC(=O)C(C)OC1=CC=C(Br)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052875	0	43	0.0	-61.30	377.86	6.92	-54.38
CN1C=C(C[NH2+]CCC(F)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012052876	0	40	0.0	-69.06	350.61	8.41	-60.65
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=N1	REAL300012052877	0	43	0.0	-66.81	358.84	9.27	-57.54
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052878	0	40	0.0	-62.87	335.63	7.21	-55.66
O=C([O-])C(F)CC[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012052879	0	33	0.0	-54.70	300.44	6.72	-47.98
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2Br)C=C1	REAL300012052880	0	39	0.0	-61.51	346.69	10.88	-50.63
CC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012052881	0	42	0.0	-57.34	348.52	8.69	-48.65
CC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012052882	0	42	0.0	-58.29	344.25	8.33	-49.96
O=C([O-])C(F)CC[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012052883	0	39	0.0	-67.59	347.60	9.05	-58.54
CC1=CC(Br)=C(C[NH2+]CCC(F)C(=O)[O-])C=C1Cl	REAL300012052884	0	32	0.0	-55.87	300.93	8.51	-47.36
O=C([O-])C(F)CC[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012052885	0	39	0.0	-59.58	349.39	8.81	-50.77
N#CCCN1C=C(C[NH2+]CCC(F)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012052886	0	42	0.0	-71.94	367.22	7.62	-64.32
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012052887	0	35	0.0	-57.78	311.14	10.44	-47.34
CC1=C(C[NH2+]CCC(F)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012052888	0	35	0.0	-61.53	320.56	9.39	-52.14
O=C([O-])C(F)CC[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012052889	0	43	0.0	-66.62	373.89	9.25	-57.37
O=C([O-])C(F)CC[NH2+]CC1=CC=C(F)C=C1I	REAL300012052890	0	29	0.0	-58.09	278.08	7.90	-50.19
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012052891	0	28	0.0	-60.49	278.31	6.07	-54.42
O=C([O-])C(F)CC[NH2+]CC1=CC(OC(F)F)=CC=C1Br	REAL300012052892	0	33	0.0	-58.62	304.71	6.99	-51.63
CC1=CC=C(C2=NC=C(C[NH2+]CCC(F)C(=O)[O-])S2)C=C1C	REAL300012052893	0	41	0.0	-62.55	353.45	9.06	-53.49
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052894	0	39	0.0	-68.86	333.34	8.80	-60.06
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052895	0	39	0.0	-65.88	344.69	9.47	-56.41
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052896	0	39	0.0	-66.33	341.06	9.33	-57.00
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052897	0	42	0.0	-64.86	350.28	9.32	-55.54
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052898	0	39	0.0	-63.90	350.24	9.27	-54.63
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300012052899	0	43	0.0	-61.99	371.86	10.35	-51.64
CC(C)(C)SC1=C(Br)C=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052900	0	42	0.0	-57.52	353.28	9.97	-47.55
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052901	0	42	0.0	-65.04	350.41	9.31	-55.73
O=C([O-])C(F)CC[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012052902	0	32	0.0	-63.54	299.63	7.98	-55.56
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C2C1	REAL300012052903	0	53	0.0	-65.62	415.96	10.02	-55.60
O=C([O-])C(F)CC[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012052904	0	35	0.0	-62.71	331.82	8.37	-54.34
O=C([O-])C(F)CC[NH2+]CC1=CNN=C1C1=CC=C(Br)S1	REAL300012052905	0	33	0.0	-61.35	315.47	6.69	-54.66
CC(C)OC1=CC(Cl)=C(C[NH2+]CCC(F)C(=O)[O-])C=C1Cl	REAL300012052906	0	39	0.0	-59.29	348.45	8.68	-50.61
COC(=O)C1=C2CCCCN2C(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052907	0	43	0.0	-68.84	351.75	8.57	-60.27
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012052908	0	36	0.0	-64.41	318.69	7.13	-57.28
C=CCOC1=C(Cl)C=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OC	REAL300012052909	0	41	0.0	-67.85	363.93	8.20	-59.65
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=CC=C1I	REAL300012052910	0	29	0.0	-55.98	288.40	8.34	-47.64
CN1C=C(C[NH2+]CCC(F)C(=O)[O-])C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300012052911	0	46	0.0	-63.93	392.40	7.78	-56.15
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300012052912	0	43	0.0	-60.30	370.50	10.43	-49.87
O=C([O-])C(F)CC[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012052913	0	42	0.0	-65.00	349.58	9.13	-55.87
O=C([O-])C(F)CC[NH2+]CC1=CC(C(F)(F)F)=C(Br)C=C1F	REAL300012052914	0	32	0.0	-63.79	310.46	8.38	-55.41
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012052915	0	36	0.0	-64.20	327.26	7.69	-56.51
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300012052916	0	38	0.0	-65.17	342.94	9.22	-55.95
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052917	0	37	0.0	-53.49	322.87	6.04	-47.45
CC1=CC(C[NH2+]CCC(F)C(=O)[O-])=NC=C1Br	REAL300012052918	0	31	0.0	-61.10	284.87	6.19	-54.91
CC1=CC(C[NH2+]CCC(F)C(=O)[O-])=C(Br)C=C1F	REAL300012052919	0	32	0.0	-58.41	292.58	8.13	-50.28
O=C([O-])C(F)CC[NH2+]CC1=C(O)C=CC=C1Br	REAL300012052920	0	30	0.0	-55.67	278.23	4.53	-51.14
O=C([O-])C(F)CC[NH2+]CC1=NC=C(Br)C=C1F	REAL300012052921	0	28	0.0	-57.18	271.72	5.63	-51.55
COC1=CC(Cl)=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OC	REAL300012052922	0	37	0.0	-59.98	321.00	6.52	-53.46
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052923	0	49	0.0	-64.46	397.96	7.28	-57.18
CCOC(=O)C1=C(C)C(C[NH2+]CCC(F)C(=O)[O-])=C(C)N1	REAL300012052924	0	42	0.0	-63.76	350.53	7.22	-56.54
O=C([O-])C(F)CC[NH2+]CC1=C(F)C=CC(C(F)(F)F)=C1Br	REAL300012052925	0	32	0.0	-56.78	307.65	8.23	-48.55
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012052926	0	39	0.0	-64.09	343.50	10.81	-53.28
CC1=CC(Br)=C(C[NH2+]CCC(F)C(=O)[O-])C=C1Br	REAL300012052927	0	32	0.0	-55.52	305.38	8.61	-46.91
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012052928	0	29	0.0	-65.43	281.48	7.55	-57.88
CCOC1=CC(C[NH2+]CCC(F)C(=O)[O-])=C(F)C=C1OC	REAL300012052929	0	40	0.0	-61.71	335.12	6.99	-54.72
COC1=NC=C(Br)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052930	0	32	0.0	-58.87	297.50	4.22	-54.65
COCOC(C)C1=CC(F)=C(C[NH2+]CCC(F)C(=O)[O-])C=C1Br	REAL300012052931	0	43	0.0	-60.09	376.41	8.07	-52.02
O=C([O-])C(F)CC[NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O	REAL300012052932	0	43	0.0	-64.94	369.48	6.47	-58.47
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=C(F)C=C1Br	REAL300012052933	0	33	0.0	-62.37	304.86	6.85	-55.52
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012052934	0	29	0.0	-58.93	282.55	7.84	-51.09
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012052935	0	33	0.0	-61.32	301.13	6.77	-54.55
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012052936	0	43	0.0	-71.68	346.11	7.83	-63.85
CC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(C)=C1Br	REAL300012052937	0	35	0.0	-60.70	301.15	8.54	-52.16
CC1=CC=NC(C[NH2+]CCC(F)C(=O)[O-])=C1Br	REAL300012052938	0	31	0.0	-53.35	282.10	6.09	-47.26
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052939	0	46	0.0	-63.80	371.86	7.08	-56.72
CN1C=C(C[NH2+]CCC(F)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012052940	0	39	0.0	-64.14	342.73	8.15	-55.99
O=C([O-])C(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1	REAL300012052943	0	39	0.0	-61.65	355.45	8.51	-53.14
CCN1C=C(C[NH2+]CCC(F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012052944	0	42	0.0	-61.48	351.30	8.86	-52.62
CC1=CC(OC2=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300012052945	0	43	0.0	-61.64	379.86	10.89	-50.75
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(Cl)=C1	REAL300012052946	0	46	0.0	-60.92	394.39	11.70	-49.22
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012052947	0	40	0.0	-58.39	360.46	10.26	-48.13
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052948	0	43	0.0	-58.10	380.18	10.94	-47.16
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+]CCC(F)C(=O)[O-])=CC=C1F	REAL300012052949	0	43	0.0	-62.51	380.90	10.91	-51.60
O=C([O-])C(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(Cl)=C1	REAL300012052950	0	40	0.0	-60.37	375.67	10.73	-49.64
O=C([O-])C(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(F)=C1	REAL300012052951	0	40	0.0	-60.94	366.76	10.34	-50.60
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052952	0	43	0.0	-55.76	373.71	10.87	-44.89
O=C([O-])C(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1	REAL300012052953	0	40	0.0	-59.65	360.52	10.29	-49.36
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052954	0	46	0.0	-55.72	393.73	11.66	-44.06
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Cl)C=C1OC1=CC=C(Cl)C(F)=C1	REAL300012052955	0	40	0.0	-63.98	376.77	10.79	-53.19
CC1=C(Br)C=C(C[NH2+]CCC(F)C(=O)[O-])S1	REAL300012052956	0	29	0.0	-59.45	283.05	7.34	-52.11
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012052957	0	39	0.0	-62.91	341.41	10.76	-52.15
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(F)=C1I	REAL300012052958	0	29	0.0	-58.28	277.20	7.87	-50.41
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012052959	0	47	0.0	-62.07	388.00	9.56	-52.51
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012052960	0	43	0.0	-66.34	362.56	7.82	-58.52
CC1=CC=C(Br)C(F)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052961	0	32	0.0	-60.07	292.97	7.98	-52.09
CCC1=CC(OC2=CC=C(F)C=C2C[NH2+]CCC(F)C(=O)[O-])=CC=C1Cl	REAL300012052962	0	46	0.0	-60.20	401.41	11.65	-48.55
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1OC1=CC=C(Cl)C(Cl)=C1	REAL300012052963	0	40	0.0	-57.51	369.78	10.67	-46.84
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+]CCC(F)C(=O)[O-])C(C)=C1	REAL300012052964	0	46	0.0	-60.13	396.12	11.57	-48.56
COC1=CC=C(CN2C=C(C[NH2+]CCC(F)C(=O)[O-])N=N2)C=C1	REAL300012052965	0	42	0.0	-68.26	357.72	6.48	-61.78
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012052966	0	39	0.0	-62.68	336.70	7.21	-55.47
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012052967	0	43	0.0	-62.06	361.33	10.11	-51.95
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=C(Br)S1	REAL300012052968	0	26	0.0	-63.26	282.13	7.24	-56.02
O=C([O-])C(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012052969	0	40	0.0	-61.24	366.38	10.32	-50.92
O=C([O-])C(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1	REAL300012052970	0	40	0.0	-61.67	358.34	9.98	-51.69
CC1=CC=C(OC2=CC(Br)=CC=C2C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052971	0	43	0.0	-60.14	382.23	11.08	-49.06
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012052972	0	40	0.0	-57.98	370.13	10.65	-47.33
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052973	0	47	0.0	-55.87	390.13	10.32	-45.55
O=C([O-])C(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012052974	0	40	0.0	-58.50	360.23	10.22	-48.28
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC(Cl)=C1	REAL300012052975	0	40	0.0	-57.30	370.00	10.67	-46.63
O=C([O-])C(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012052976	0	40	0.0	-59.30	365.51	10.31	-48.99
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052977	0	44	0.0	-58.72	383.25	10.71	-48.01
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Cl)C=C1OC1=CC=C(F)C(Cl)=C1	REAL300012052978	0	40	0.0	-64.24	377.18	10.79	-53.45
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052979	0	45	0.0	-63.01	366.88	9.88	-53.13
O=C([O-])C(F)CC[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012052980	0	35	0.0	-59.75	332.04	8.15	-51.60
COC1=CC=C(C2=NC(C[NH2+]CCC(F)C(=O)[O-])=CS2)C=C1	REAL300012052981	0	39	0.0	-60.05	344.75	6.94	-53.11
CS(=O)(=O)NC1=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012052983	0	37	0.0	-73.56	327.36	3.44	-70.12
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CCC(F)C(=O)[O-]	REAL300012052984	1	49	0.0	-58.08	372.23	8.94	-49.14
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1	REAL300012052985	0	43	0.0	-68.52	379.74	10.23	-58.29
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CCC(F)C(=O)[O-])S1	REAL300012052986	0	40	0.0	-62.60	346.78	7.31	-55.29
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012052987	0	46	0.0	-60.69	384.27	7.69	-53.00
O=C([O-])C(F)CC[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012052988	0	31	0.0	-61.43	303.02	6.89	-54.54
CN(C)C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012052989	0	40	0.0	-58.99	330.46	8.28	-50.71
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CCC(F)C(=O)[O-]	REAL300012052990	0	39	0.0	-60.61	332.31	9.46	-51.15
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012052991	0	38	0.0	-62.10	340.69	8.42	-53.68
O=C([O-])C(F)CC[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012052992	0	48	0.0	-61.99	387.15	10.33	-51.66
O=C([O-])C(F)CC[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012052993	0	32	0.0	-67.38	310.37	8.18	-59.20
O=C([O-])C(F)CC[NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1	REAL300012052994	0	35	0.0	-68.46	319.08	7.32	-61.14
O=C([O-])C(F)CC[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012052995	0	32	0.0	-63.22	298.35	7.96	-55.26
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CCC(F)C(=O)[O-]	REAL300012052996	0	40	0.0	-62.81	336.70	8.23	-54.58
O=C([O-])C(F)CC[NH2+]CC1=CC(I)=CC([N+](=O)[O-])=C1	REAL300012052997	0	31	0.0	-72.14	306.46	8.60	-63.54
COC1=CC=C(N2C=C(C[NH2+]CCC(F)C(=O)[O-])C=N2)C=C1	REAL300012052998	0	40	0.0	-66.85	338.38	7.34	-59.51
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012052999	0	44	0.0	-58.94	372.37	10.25	-48.69
O=C([O-])C(F)CC[NH2+]CC1=CC=C(N2CCCCC2)C(Br)=C1	REAL300012053000	0	44	0.0	-62.53	368.00	9.30	-53.23
O=C([O-])C(F)CC[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012053001	0	49	0.0	-57.19	393.48	10.80	-46.39
NS(=O)(=O)C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(F)=C1	REAL300012053002	0	34	0.0	-69.74	309.22	1.85	-67.89
CC1=C(Br)C=NC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012053003	0	31	0.0	-64.20	279.26	6.13	-58.07
COC1=CC=C(C2=CC(C[NH2+]CCC(F)C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300012053004	0	45	0.0	-71.39	383.96	5.86	-65.53
O=C([O-])C(F)CC[NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21	REAL300012053005	0	43	0.0	-65.66	369.08	9.96	-55.70
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012053006	0	49	0.0	-62.61	390.49	5.69	-56.92
CC(C)(C)OC(=O)NC(C[NH2+]CCC(F)C(=O)[O-])CC(F)F	REAL300012053007	0	45	0.0	-69.08	356.24	5.62	-63.46
CC1=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C1Br	REAL300012053008	0	32	0.0	-54.65	284.95	7.96	-46.69
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012053009	0	40	0.0	-62.51	345.18	9.75	-52.76
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=CC=C1Br	REAL300012053010	0	29	0.0	-56.71	288.03	8.00	-48.71
CC1=CC(C[NH2+]CCC(F)C(=O)[O-])=C(C)C=C1I	REAL300012053011	0	35	0.0	-60.99	310.60	9.09	-51.90
N#CC1=CC=C(Br)C(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012053012	0	30	0.0	-62.00	286.27	7.81	-54.19
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012053013	0	42	0.0	-56.89	352.32	8.39	-48.50
CCN(CC)C(=O)C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012053014	0	45	0.0	-69.72	362.72	8.61	-61.11
CC1=NN(C2=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(C)=C2)C=C1	REAL300012053015	0	42	0.0	-67.30	345.75	9.16	-58.14
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012053016	0	35	0.0	-65.03	321.68	8.71	-56.32
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012053017	0	39	0.0	-65.83	340.42	9.14	-56.69
CCC1=CC(Br)=C(C[NH2+]CCC(F)C(=O)[O-])S1	REAL300012053018	0	32	0.0	-54.69	303.09	8.05	-46.64
CC1=NN(C2=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C2)C=C1Cl	REAL300012053019	0	39	0.0	-67.33	347.38	9.12	-58.21
CC(C)(C[NH2+]CCC(F)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012053020	0	38	0.0	-61.45	319.42	9.16	-52.29
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012053021	0	29	0.0	-63.80	288.08	7.95	-55.85
CC1=CC=C(C2=CC=CC=C2C[NH2+]CCC(F)C(=O)[O-])C(C)=C1	REAL300012053022	0	45	0.0	-53.91	360.64	11.33	-42.58
CC(C)(C)OC(=O)N1CCN(C2=CC=C(C[NH2+]CCC(F)C(=O)[O-])O2)CC1	REAL300012053023	0	55	0.0	-64.10	431.86	6.81	-57.29
COC1=CC=CC(C2=CSC(C[NH2+]CCC(F)C(=O)[O-])=N2)=C1	REAL300012053024	0	39	0.0	-62.24	342.63	6.90	-55.34
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012053025	0	49	0.0	-64.87	397.95	7.29	-57.58
COC(=O)C1=C2COCCN2C(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012053026	0	41	0.0	-70.57	343.45	6.21	-64.36
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012053027	0	46	0.0	-70.54	365.28	8.77	-61.77
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012053028	0	32	0.0	-64.86	312.69	8.68	-56.18
O=C([O-])C(F)CC[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012053029	0	33	0.0	-59.28	306.71	5.75	-53.53
NS(=O)(=O)C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(Br)=C1	REAL300012053030	0	34	0.0	-67.59	320.13	2.39	-65.20
O=C([O-])C(F)CC[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012053031	0	29	0.0	-51.62	282.59	7.74	-43.88
O=C([O-])C(F)CC[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012053032	0	29	0.0	-64.93	281.30	7.53	-57.40
CC(C)(C)OC(=O)N1CCC(C[NH2+]CCC(F)C(=O)[O-])CC1	REAL300012053033	0	49	0.0	-66.74	374.20	7.85	-58.89
CC1=CC(Br)=CN=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012053034	0	31	0.0	-59.25	282.61	6.18	-53.07
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012053035	0	35	0.0	-68.16	323.93	4.75	-63.41
O=C([O-])C(F)CC[NH2+]CC1=CC=C2CCN(C(=O)OCC3=CC=CC=C3)C2=C1	REAL300012053036	0	51	0.0	-63.13	424.14	11.61	-51.52
CC1=NC(Cl)=C(C[NH2+]CCC(F)C(=O)[O-])C=C1Br	REAL300012053037	0	31	0.0	-60.21	296.71	6.60	-53.61
CCOC1=CC(Br)=CC(F)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012053038	0	36	0.0	-54.67	326.69	7.77	-46.90
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C2)O1	REAL300012053039	0	46	0.0	-67.56	399.36	9.04	-58.52
CC1=C(Br)C(C[NH2+]CCC(F)C(=O)[O-])=C(C)S1	REAL300012053040	0	32	0.0	-55.56	300.15	7.83	-47.73
CN1C=C(C[NH2+]CCC(F)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012053041	0	39	0.0	-61.40	335.65	8.07	-53.33
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012053042	0	33	0.0	-60.85	302.02	6.65	-54.20
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012053043	0	35	0.0	-63.90	321.66	8.71	-55.19
CC1=NC=CN1C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(C)=C1	REAL300012053044	0	42	0.0	-68.29	345.25	9.84	-58.45
CC1=C(C)N(C2=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C2)C=N1	REAL300012053045	0	42	0.0	-69.45	347.79	10.44	-59.01
O=C([O-])C(F)CC[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012053046	0	32	0.0	-60.29	307.88	8.95	-51.34
CN1C=C(C[NH2+]CCC(F)C(=O)[O-])C(C2=CC=CC=C2Br)=N1	REAL300012053047	0	39	0.0	-62.72	348.13	8.65	-54.07
O=C([O-])C(F)CC[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012053048	0	39	0.0	-59.55	322.82	8.87	-50.68
O=C([O-])C(F)CC[NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1	REAL300012053049	0	36	0.0	-65.48	327.37	7.30	-58.18
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012053050	0	42	0.0	-69.01	365.60	9.56	-59.45
O=C([O-])C(F)CC[NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1	REAL300012053051	0	36	0.0	-64.52	328.16	7.32	-57.20
O=C([O-])C(F)CC[NH2+]CC1=C(Br)C=CC=C1Br	REAL300012053052	0	29	0.0	-51.07	286.64	7.82	-43.25
O=C([O-])C(F)CC[NH2+]CC1=C(Br)C=CC=C1OC(F)F	REAL300012053053	0	33	0.0	-54.94	306.47	6.96	-47.98
O=C([O-])C(F)CC[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012053054	0	36	0.0	-61.19	324.33	8.32	-52.87
O=C([O-])C(F)CC[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012053055	0	29	0.0	-56.51	282.39	7.50	-49.01
CC(C)(OCC1=CC=CC=C1)C1=CC=C(F)C(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012053056	0	52	0.0	-56.15	420.28	11.66	-44.49
CC1=CC(C)=C(C[NH2+]CCC(F)C(=O)[O-])C(C)=C1Br	REAL300012053057	0	38	0.0	-59.52	319.92	8.99	-50.53
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012053058	0	39	0.0	-66.28	346.25	7.60	-58.68
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012053059	0	46	0.0	-65.77	372.27	7.09	-58.68
COC1=CC=C(Br)C(F)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012053060	0	33	0.0	-55.67	304.52	6.83	-48.84
O=C([O-])C(F)CC[NH2+]CC1=C(F)C=C(C(F)(F)F)C=C1Br	REAL300012053061	0	32	0.0	-56.91	312.19	8.34	-48.57
N#CC1=CC(F)=C(C[NH2+]CCC(F)C(=O)[O-])C(Br)=C1	REAL300012053062	0	30	0.0	-60.48	294.24	7.73	-52.75
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012053063	0	29	0.0	-64.14	290.02	7.94	-56.20
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012053064	0	46	0.0	-54.56	360.02	9.67	-44.89
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012053065	0	40	0.0	-64.12	355.48	10.20	-53.92
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012053066	0	49	0.0	-60.01	380.20	10.35	-49.66
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012053067	0	43	0.0	-56.84	377.05	10.71	-46.13
COC1=CC=CC(OC2=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C2)=C1	REAL300012053068	0	44	0.0	-67.16	368.25	8.98	-58.18
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012053069	0	44	0.0	-64.43	369.35	9.61	-54.82
COC1=C(Br)C=CC(F)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012053070	0	33	0.0	-55.95	305.21	6.89	-49.06
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012053071	0	42	0.0	-63.57	359.60	11.55	-52.02
O=C([O-])C(F)CC[NH2+]CC1=C(Br)C=CC=C1OC(F)(F)F	REAL300012053072	0	33	0.0	-53.14	312.81	7.18	-45.96
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012053073	0	33	0.0	-64.13	306.46	8.29	-55.84
CN(C)S(=O)(=O)C1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C(Br)=C1	REAL300012053074	0	40	0.0	-66.09	361.46	5.43	-60.66
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300012053075	0	43	0.0	-61.48	378.47	10.64	-50.84
O=C([O-])C(F)CC[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012053076	0	42	0.0	-63.86	343.26	7.50	-56.36
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Br)C=C1OC(F)F	REAL300012053077	0	33	0.0	-63.56	309.25	7.10	-56.46
COC1=CC(OC)=C(C[NH2+]CCC(F)C(=O)[O-])C2=NC(Cl)=CC=C12	REAL300012053078	0	42	0.0	-52.40	363.19	6.53	-45.87
CC1=CC=C(F)C(C[NH2+]CCC(F)C(=O)[O-])=C1Br	REAL300012053079	0	32	0.0	-52.57	291.66	7.92	-44.65
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012053080	0	52	0.0	-54.65	402.20	11.13	-43.52
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCCO	REAL300012053081	0	41	0.0	-67.99	342.03	3.87	-64.12
COC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1OCCO	REAL300012053082	0	41	0.0	-68.12	342.03	3.87	-64.25
COC1=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012053083	0	48	0.0	-68.10	387.74	7.46	-60.64
O=C([O-])C(F)CC[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012053084	0	36	0.0	-56.35	324.96	7.61	-48.74
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012053085	0	38	0.0	-65.89	347.38	8.57	-57.32
O=C([O-])C(F)CC[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012053086	0	32	0.0	-54.54	294.16	5.97	-48.57
O=C([O-])C(F)CC[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012053087	0	36	0.0	-64.40	326.02	8.57	-55.83
O=C([O-])C(F)CC[NH2+]CC1=C(Br)C=C(C(F)(F)F)S1	REAL300012053088	0	29	0.0	-60.01	300.78	7.67	-52.34
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012053089	0	37	0.0	-57.87	330.48	8.49	-49.38
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012053090	0	32	0.0	-63.20	291.94	8.31	-54.89
O=C([O-])C(F)CC[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012053091	0	29	0.0	-55.38	289.21	7.83	-47.55
COC1=NC(C)=C(C[NH2+]CCC(F)C(=O)[O-])C(C)=C1Cl	REAL300012053092	0	38	0.0	-65.77	324.89	5.07	-60.70
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012053093	0	34	0.0	-56.35	311.55	7.96	-48.39
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012053094	0	44	0.0	-71.78	354.77	6.28	-65.50
CC1=CC(Br)=C(F)C(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012053095	0	32	0.0	-59.95	296.99	8.16	-51.79
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012053096	0	29	0.0	-63.81	290.58	7.95	-55.86
COC1=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C1Br	REAL300012053097	0	33	0.0	-56.90	295.36	6.74	-50.16
COC1=CC(F)=C(C[NH2+]CCC(F)C(=O)[O-])C=C1Br	REAL300012053098	0	33	0.0	-60.52	304.50	6.84	-53.68
O=C([O-])C(F)CC[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012053099	0	39	0.0	-79.83	336.62	9.24	-70.59
CC1=CC=C(Br)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012053100	0	32	0.0	-59.84	286.19	8.07	-51.77
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012053101	0	29	0.0	-60.86	292.45	8.00	-52.86
O=C([O-])C(F)CC[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012053102	0	32	0.0	-67.75	301.63	8.18	-59.57
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+]CCC(F)C(=O)[O-])=CC=C2C1	REAL300012053103	0	53	0.0	-65.14	415.95	10.03	-55.11
CC1=CC(Br)=CC(C)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012053104	0	35	0.0	-60.92	304.51	8.51	-52.41
O=C([O-])C(F)CC[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012053105	0	30	0.0	-57.76	283.92	4.57	-53.19
CC1=C(C[NH2+]CCC(F)C(=O)[O-])SC(Br)=C1	REAL300012053106	0	29	0.0	-59.89	280.89	7.26	-52.63
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012053107	0	41	0.0	-64.76	348.60	8.92	-55.84
O=C([O-])C(F)CC[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012053108	0	42	0.0	-59.95	352.85	11.29	-48.66
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=CC(Cl)=C1Br	REAL300012053109	0	29	0.0	-58.64	297.03	8.37	-50.27
CCCCC(=O)NC1=CC=C(C[NH2+]CCC(F)C(=O)[O-])C=C1	REAL300012053110	0	45	0.0	-64.95	369.45	8.09	-56.86
O=C([O-])C(F)CC[NH2+]CC1=CSC(Br)=C1Br	REAL300012053111	0	26	0.0	-59.40	279.20	7.03	-52.37
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(Br)=C1Br	REAL300012053112	0	29	0.0	-58.29	285.71	7.94	-50.35
CC1=C(C[NH2+]CCC(F)C(=O)[O-])SC(Br)=C1Br	REAL300012053113	0	29	0.0	-62.60	298.32	7.74	-54.86
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012053114	0	28	0.0	-60.03	277.34	6.02	-54.01
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012053115	0	50	0.0	-58.38	377.85	9.00	-49.38
O=C([O-])C(F)CC[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012053116	0	33	0.0	-66.44	312.49	7.18	-59.26
O=C([O-])C(F)CC[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012053117	0	39	0.0	-64.93	338.63	9.65	-55.28
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]CCC(F)C(=O)[O-])=C1	REAL300012053118	0	51	0.0	-61.95	408.99	11.74	-50.21
O=C([O-])C(F)CC[NH2+]CC1=CC=C(C(F)(F)F)C=C1Br	REAL300012053119	0	32	0.0	-60.95	305.08	8.38	-52.57
O=C([O-])C(F)CC[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012053120	0	31	0.0	-66.46	294.41	6.15	-60.31
O=C([O-])C(F)CC[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012053121	0	34	0.0	-63.56	316.21	7.19	-56.37
O=C([O-])C(F)CC[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012053122	0	36	0.0	-63.21	311.39	5.50	-57.71
O=C([O-])C(F)CC[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012053123	0	32	0.0	-61.97	309.12	8.99	-52.98
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012053124	0	42	0.0	-62.28	349.95	9.36	-52.92
O=C([O-])C(F)CC[NH2+]CC1=CC=C(Br)C=C1Br	REAL300012053125	0	29	0.0	-58.43	287.64	8.00	-50.43
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012053126	0	29	0.0	-62.04	282.16	7.56	-54.48
O=C([O-])C(F)CC[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012053127	0	29	0.0	-61.53	291.14	7.95	-53.58
O=C([O-])C(F)CC[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012053128	0	31	0.0	-72.54	299.97	8.12	-64.42
COC1=C(C[NH2+]CCC(F)C(=O)[O-])C=CC(Br)=C1F	REAL300012053129	0	33	0.0	-65.31	306.84	6.90	-58.41
O=C([O-])C(F)CC[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012053130	0	35	0.0	-64.37	314.60	9.61	-54.76
O=C([O-])C(F)CC[NH2+]CC1=CC=C(CN2C=C(Br)C=N2)C=C1	REAL300012053131	0	39	0.0	-63.02	355.53	9.10	-53.92
O=C([O-])C(F)CC[NH2+]CC1=C(F)C=C(I)C=C1F	REAL300012053132	0	29	0.0	-56.51	288.87	7.98	-48.53
COC1=CC=C(OC)C(OC)=C1C[NH2+]CCC(F)C(=O)[O-]	REAL300012053133	0	41	0.0	-54.05	338.71	5.48	-48.57
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012053134	0	46	0.0	-56.81	361.42	8.73	-48.08
O=C([O-])C(F)CC[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012053135	0	43	0.0	-58.29	364.13	10.35	-47.94
COC1=CC=C(Br)C(C[NH2+]CCC(F)C(=O)[O-])=C1O	REAL300012053136	0	34	0.0	-56.16	307.44	4.50	-51.66
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C)=C1	REAL300012053137	0	41	0.0	-26.47	347.22	9.72	-16.75
CC1=CC=C(C)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053138	0	41	0.0	-26.65	345.27	9.60	-17.05
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012053139	0	40	0.0	-32.49	353.48	8.75	-23.74
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1CC2C=CC1C2	REAL300012053140	0	40	0.0	-29.28	329.56	9.00	-20.28
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1CCCCC1	REAL300012053141	0	41	0.0	-28.54	332.05	8.70	-19.84
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053142	0	47	0.0	-27.76	387.22	10.75	-17.01
CC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1C	REAL300012053143	0	41	0.0	-26.26	339.85	9.41	-16.85
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1C	REAL300012053144	0	41	0.0	-27.96	349.45	9.56	-18.40
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053145	0	45	0.0	-25.42	380.13	9.37	-16.05
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(Cl)=C1	REAL300012053146	0	39	0.0	-30.45	353.61	8.11	-22.34
N#CC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053147	0	36	0.0	-33.14	333.19	8.85	-24.29
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012053148	0	38	0.0	-28.93	348.74	9.76	-19.17
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012053149	0	41	0.0	-29.88	356.25	8.88	-21.00
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012053150	0	32	0.0	-30.64	319.60	8.19	-22.45
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012053151	0	40	0.0	-25.11	349.96	8.92	-16.19
CCC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])O1	REAL300012053152	0	38	0.0	-27.25	335.19	8.09	-19.16
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012053153	0	35	0.0	-26.72	322.17	8.48	-18.24
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012053154	0	35	0.0	-29.71	327.92	8.80	-20.91
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012053155	0	35	0.0	-33.69	334.95	8.96	-24.73
CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053156	0	42	0.0	-28.54	363.69	8.69	-19.85
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1F	REAL300012053157	0	38	0.0	-28.84	337.76	9.07	-19.77
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012053158	0	35	0.0	-34.94	331.36	8.58	-26.36
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012053159	0	38	0.0	-30.05	347.56	9.92	-20.13
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012053160	0	35	0.0	-33.78	334.95	8.97	-24.81
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012053161	0	34	0.0	-32.25	318.23	7.06	-25.19
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053162	0	44	0.0	-28.19	375.39	8.02	-20.17
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1Cl	REAL300012053163	0	39	0.0	-33.48	357.89	8.25	-25.23
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012053164	0	41	0.0	-31.05	355.28	7.61	-23.44
CCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053165	0	45	0.0	-31.10	385.22	9.43	-21.67
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053166	0	45	0.0	-31.35	381.64	9.25	-22.10
CC(C)C1=NC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CS1	REAL300012053167	0	40	0.0	-25.51	358.80	7.40	-18.11
CC(C)(C)C1=NC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CS1	REAL300012053168	0	43	0.0	-30.14	376.88	7.92	-22.22
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])OC=C1	REAL300012053169	0	35	0.0	-29.14	310.58	7.12	-22.02
CC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CN=C1Cl	REAL300012053170	0	37	0.0	-33.16	341.54	7.58	-25.58
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012053171	0	39	0.0	-32.43	358.80	10.18	-22.25
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012053172	0	41	0.0	-30.81	361.28	9.63	-21.18
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012053173	0	38	0.0	-31.88	340.27	8.77	-23.11
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])N=C1	REAL300012053174	0	37	0.0	-26.08	327.41	7.19	-18.89
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012053175	0	39	0.0	-36.77	355.32	9.79	-26.98
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012053176	0	32	0.0	-28.06	316.50	8.01	-20.05
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012053177	0	39	0.0	-30.56	349.43	8.37	-22.19
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012053178	0	39	0.0	-31.68	350.65	8.41	-23.27
CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=N1	REAL300012053179	0	41	0.0	-32.45	360.04	6.01	-26.44
CC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CC=C1Cl	REAL300012053180	0	38	0.0	-29.56	346.51	9.45	-20.11
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012053181	0	37	0.0	-31.98	342.91	7.84	-24.14
CCCC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053182	0	44	0.0	-28.71	376.74	10.61	-18.10
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1C#N	REAL300012053183	0	40	0.0	-39.01	360.75	8.07	-30.94
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053184	0	41	0.0	-27.09	358.94	9.88	-17.21
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])N=C1	REAL300012053185	0	41	0.0	-26.84	357.45	6.72	-20.12
C=CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053186	0	43	0.0	-28.59	376.59	9.27	-19.32
CC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1C	REAL300012053187	0	44	0.0	-27.06	365.61	10.26	-16.80
CC(C)(C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012053188	0	44	0.0	-30.02	360.40	10.17	-19.85
CC1CCC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])CC1	REAL300012053189	0	44	0.0	-29.22	347.16	9.12	-20.10
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053190	0	47	0.0	-31.40	391.35	11.33	-20.07
CCC1CCCC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C1	REAL300012053191	0	47	0.0	-29.75	361.14	9.59	-20.16
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053192	0	41	0.0	-24.15	360.83	9.99	-14.16
CCCC1CCC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])CC1	REAL300012053193	0	50	0.0	-28.67	392.61	10.71	-17.96
CC1CCCCC1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053194	0	44	0.0	-28.98	343.74	8.98	-20.00
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053195	0	42	0.0	-28.37	360.59	8.39	-19.98
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1F	REAL300012053196	0	39	0.0	-35.09	348.09	7.76	-27.33
CC(C)C1CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])CCO1	REAL300012053197	0	48	0.0	-32.34	382.13	8.48	-23.86
CC1(C)CCC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])CC1	REAL300012053198	0	47	0.0	-28.76	366.02	9.59	-19.17
CCSC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053199	0	42	0.0	-28.16	374.01	10.32	-17.84
COC1(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])CCCCC1	REAL300012053200	0	45	0.0	-25.26	354.05	7.77	-17.49
COCCC1(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])CCCCC1	REAL300012053201	0	51	0.0	-28.97	390.71	8.62	-20.35
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053202	0	45	0.0	-29.69	385.19	9.49	-20.20
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012053203	0	38	0.0	-32.03	338.06	8.91	-23.12
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012053204	0	40	0.0	-38.98	355.25	9.55	-29.43
CC(C)OC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053205	0	45	0.0	-29.40	379.46	9.24	-20.16
CC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CC=C1F	REAL300012053206	0	38	0.0	-30.35	337.76	9.06	-21.29
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012053207	0	39	0.0	-28.70	343.70	8.47	-20.23
CC(C)CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053208	0	47	0.0	-28.33	393.48	11.15	-17.18
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012053209	0	35	0.0	-30.49	335.48	9.04	-21.45
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053210	0	41	0.0	-26.05	345.27	9.47	-16.58
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012053211	0	35	0.0	-32.54	334.66	8.94	-23.60
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012053212	0	35	0.0	-26.08	332.49	8.92	-17.16
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012053213	0	35	0.0	-31.34	325.18	8.54	-22.80
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012053214	0	35	0.0	-26.99	334.11	8.98	-18.01
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012053215	0	35	0.0	-26.68	322.05	8.47	-18.21
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053216	0	41	0.0	-35.28	358.76	8.81	-26.47
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=N1	REAL300012053217	0	38	0.0	-31.53	339.40	5.09	-26.44
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012053218	0	40	0.0	-30.45	346.93	8.20	-22.25
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012053219	0	39	0.0	-27.13	341.35	8.41	-18.72
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053220	0	38	0.0	-28.15	332.22	9.12	-19.03
CC1=NC(C)=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])S1	REAL300012053221	0	37	0.0	-28.20	337.36	6.86	-21.34
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053222	0	42	0.0	-35.37	368.81	6.75	-28.62
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012053223	0	41	0.0	-29.56	357.15	10.61	-18.95
COC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CC(OC)=C1	REAL300012053224	0	43	0.0	-30.39	370.04	6.97	-23.42
CN1C=NC2=CC(C[NH2+]C(CC3=CN=CC(Br)=C3)C(=O)[O-])=CC=C21	REAL300012053226	0	41	0.0	-36.82	360.74	9.74	-27.08
CCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1C	REAL300012053227	0	44	0.0	-28.54	376.04	8.12	-20.42
CC1=CC=C(F)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053228	0	38	0.0	-25.85	338.28	9.12	-16.73
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053229	0	38	0.0	-29.98	333.59	9.15	-20.83
CC1=NC=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053230	0	37	0.0	-28.38	322.24	7.27	-21.11
CC1(C)CCCC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C1	REAL300012053231	0	47	0.0	-29.83	366.02	9.59	-20.24
CC1=CCCC(C)C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053232	0	45	0.0	-24.47	351.04	9.60	-14.87
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012053233	0	40	0.0	-28.64	346.60	8.74	-19.90
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053234	0	38	0.0	-27.60	342.54	9.56	-18.04
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012053235	0	39	0.0	-33.73	349.81	9.76	-23.97
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012053236	0	34	0.0	-32.08	324.07	7.04	-25.04
CN1N=NC2=CC(C[NH2+]C(CC3=CN=CC(Br)=C3)C(=O)[O-])=CC=C21	REAL300012053237	0	40	0.0	-39.18	355.02	6.81	-32.37
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1CCCCCC1	REAL300012053238	0	44	0.0	-29.01	342.37	9.17	-19.84
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=N1	REAL300012053239	0	38	0.0	-33.16	339.51	5.12	-28.04
CC(C)N1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=N1	REAL300012053240	0	41	0.0	-29.60	354.06	7.55	-22.05
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012053241	0	38	0.0	-29.30	345.33	8.95	-20.35
COCC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053242	0	42	0.0	-30.60	366.10	8.08	-22.52
CC(C)(C)C1CCC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])CC1	REAL300012053243	0	53	0.0	-28.27	393.81	10.44	-17.83
CC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C(C)O1	REAL300012053244	0	38	0.0	-29.43	334.12	8.07	-21.36
CC(C)CC1=NC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])S1	REAL300012053245	0	43	0.0	-29.38	380.18	8.64	-20.74
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012053246	0	38	0.0	-31.33	342.95	7.57	-23.76
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053247	0	39	0.0	-30.26	340.54	7.66	-22.60
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])O1	REAL300012053248	0	35	0.0	-27.44	313.70	7.31	-20.13
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC=C1	REAL300012053249	0	35	0.0	-28.28	311.03	8.36	-19.92
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])S1	REAL300012053250	0	43	0.0	-28.52	377.87	8.14	-20.38
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012053251	0	41	0.0	-30.54	355.55	7.51	-23.03
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012053252	0	35	0.0	-28.59	329.06	8.98	-19.61
CC(C)(C)N1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=N1	REAL300012053253	0	44	0.0	-29.08	373.77	8.24	-20.84
CC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CC(C)=C1	REAL300012053254	0	41	0.0	-27.93	353.85	9.68	-18.25
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(CO)O1	REAL300012053255	0	36	0.0	-30.25	325.11	3.97	-26.28
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CS1	REAL300012053256	0	32	0.0	-26.74	301.24	7.46	-19.28
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053257	0	42	0.0	-33.24	366.54	7.28	-25.96
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012053258	0	35	0.0	-24.74	324.22	8.88	-15.86
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012053259	0	37	0.0	-33.71	340.55	9.14	-24.57
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012053260	0	37	0.0	-36.61	340.55	9.14	-27.47
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012053261	0	41	0.0	-28.11	347.95	10.38	-17.73
CN(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053262	0	43	0.0	-28.52	362.53	8.83	-19.69
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012053263	0	35	0.0	-29.13	326.91	8.91	-20.22
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012053264	0	35	0.0	-26.58	331.72	8.84	-17.74
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012053265	0	35	0.0	-30.73	318.74	8.53	-22.20
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1OC	REAL300012053266	0	43	0.0	-26.53	371.14	7.71	-18.82
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1OC	REAL300012053267	0	43	0.0	-32.60	369.78	7.55	-25.05
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(OC)=C1	REAL300012053268	0	43	0.0	-30.39	368.65	7.02	-23.37
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012053269	0	35	0.0	-32.57	323.02	8.45	-24.12
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1CC=CCC1	REAL300012053270	0	39	0.0	-29.25	323.68	8.63	-20.62
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053271	0	39	0.0	-28.27	340.52	7.72	-20.55
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053272	0	42	0.0	-29.62	360.02	10.17	-19.45
CC(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053273	0	44	0.0	-28.43	372.56	10.40	-18.03
CCOC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053274	0	42	0.0	-25.57	362.31	8.75	-16.82
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053275	0	42	0.0	-28.89	361.53	8.61	-20.28
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC=C1F	REAL300012053276	0	35	0.0	-25.55	315.58	8.41	-17.14
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012053277	0	35	0.0	-29.16	318.74	8.53	-20.63
COC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053278	0	39	0.0	-28.81	339.12	7.73	-21.08
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])SC=C1	REAL300012053279	0	35	0.0	-25.93	319.86	8.04	-17.89
CC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053280	0	38	0.0	-26.37	323.60	8.83	-17.54
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053281	0	38	0.0	-28.50	333.74	9.14	-19.36
N#CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053282	0	36	0.0	-34.78	333.19	8.86	-25.92
CSC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053283	0	39	0.0	-30.05	351.25	9.38	-20.67
CC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053284	0	38	0.0	-27.79	332.42	9.09	-18.70
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CSC=C1	REAL300012053285	0	32	0.0	-28.57	302.34	7.34	-21.23
CCC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053286	0	41	0.0	-28.46	355.22	9.91	-18.55
CC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C)=C1	REAL300012053287	0	44	0.0	-25.53	361.70	9.96	-15.57
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012053288	0	35	0.0	-28.37	321.67	8.40	-19.97
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012053289	0	35	0.0	-34.96	325.06	8.52	-26.44
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])S1	REAL300012053290	0	35	0.0	-28.18	322.28	8.29	-19.89
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1O	REAL300012053291	0	40	0.0	-33.44	352.62	5.54	-27.90
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053292	0	41	0.0	-30.34	351.04	7.12	-23.22
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053293	0	38	0.0	-28.51	349.19	6.99	-21.52
CCC1=NN(C)C=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053294	0	41	0.0	-28.67	354.14	7.51	-21.16
CN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012053295	0	47	0.0	-29.00	378.77	8.36	-20.64
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CN=C1	REAL300012053296	0	34	0.0	-30.32	307.19	6.61	-23.71
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CO1	REAL300012053297	0	32	0.0	-27.94	291.74	6.49	-21.45
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=NC=C1	REAL300012053298	0	34	0.0	-30.92	305.91	6.59	-24.33
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(Cl)O1	REAL300012053299	0	32	0.0	-27.93	310.13	7.16	-20.77
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053300	0	41	0.0	-25.69	365.93	9.22	-16.47
CC1=NOC(C)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053301	0	37	0.0	-31.58	329.49	7.18	-24.40
CC1=NC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CS1	REAL300012053302	0	34	0.0	-31.66	318.90	6.18	-25.48
CN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=N1	REAL300012053303	0	35	0.0	-33.76	315.17	6.20	-27.56
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1C	REAL300012053304	0	42	0.0	-29.99	360.61	8.40	-21.59
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053305	0	44	0.0	-29.05	354.49	7.02	-22.03
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NC=CN1	REAL300012053306	0	32	0.0	-28.37	291.74	5.13	-23.24
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053307	0	43	0.0	-26.97	367.35	7.07	-19.90
CN1C=CN=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053308	0	35	0.0	-27.00	312.83	6.78	-20.22
CC(C)(C)C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053309	0	37	0.0	-28.03	308.19	7.55	-20.48
COC1=CC=C(F)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053310	0	39	0.0	-29.46	344.19	7.71	-21.75
CSC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])S1	REAL300012053311	0	36	0.0	-29.79	345.85	8.79	-21.00
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012053312	0	38	0.0	-32.54	337.05	7.01	-25.53
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN=CN=C1	REAL300012053313	0	33	0.0	-32.15	301.96	6.47	-25.68
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012053314	0	32	0.0	-27.20	316.53	7.90	-19.30
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053315	0	39	0.0	-29.59	346.90	7.83	-21.76
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NNC=C1	REAL300012053316	0	32	0.0	-32.52	292.24	4.86	-27.66
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=NN1	REAL300012053316	1	32	0.0	-30.48	290.08	4.77	-25.71
NC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053317	0	39	0.0	-34.33	344.72	5.17	-29.16
COC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CC=C1F	REAL300012053318	0	39	0.0	-33.36	348.09	7.76	-25.60
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053319	0	39	0.0	-29.04	357.23	8.27	-20.77
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN=CS1	REAL300012053320	0	31	0.0	-30.12	297.09	5.71	-24.41
CN1C=NC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053321	0	35	0.0	-29.60	312.48	7.61	-21.99
COC(=O)C1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CN1C	REAL300012053322	0	42	0.0	-31.81	370.45	8.55	-23.26
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1Cl	REAL300012053323	0	38	0.0	-28.73	347.82	9.51	-19.22
COC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CC=C1C	REAL300012053324	0	42	0.0	-29.69	361.94	8.44	-21.25
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CSC=N1	REAL300012053325	0	31	0.0	-26.92	296.97	5.40	-21.52
CC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1F	REAL300012053326	0	38	0.0	-31.01	336.93	9.03	-21.98
N#CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(F)=C1	REAL300012053327	0	36	0.0	-37.15	338.75	8.80	-28.35
CC1=NNC(C)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053328	0	38	0.0	-29.70	329.94	5.90	-23.80
CC1=NNC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053329	0	35	0.0	-31.69	309.77	5.41	-26.28
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=NN1	REAL300012053329	1	35	0.0	-29.24	311.17	5.46	-23.78
CN1N=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053330	0	35	0.0	-28.87	310.61	5.96	-22.91
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012053331	0	38	0.0	-29.13	339.34	8.90	-20.23
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012053332	0	38	0.0	-26.27	348.81	7.62	-18.65
CCC1=NC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CS1	REAL300012053333	0	37	0.0	-26.16	340.37	6.87	-19.29
CC1=NN(C)C=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053334	0	38	0.0	-29.94	334.80	6.84	-23.10
CCN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=N1	REAL300012053335	0	38	0.0	-32.88	335.38	7.03	-25.85
CN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])N=N1	REAL300012053336	0	34	0.0	-38.64	309.14	4.97	-33.67
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053337	0	39	0.0	-32.57	345.56	5.20	-27.37
CN1C=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=N1	REAL300012053338	0	35	0.0	-32.61	315.21	6.17	-26.44
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1CCCCCCC1	REAL300012053339	0	47	0.0	-28.54	354.98	9.65	-18.89
CC1=CSC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=N1	REAL300012053340	0	34	0.0	-30.66	317.62	6.09	-24.57
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1F	REAL300012053341	0	39	0.0	-34.52	345.91	7.68	-26.84
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012053342	0	42	0.0	-28.49	357.90	10.31	-18.18
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=COC=N1	REAL300012053343	0	31	0.0	-28.02	286.45	2.95	-25.07
CCN1N=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053344	0	38	0.0	-28.48	327.06	6.78	-21.70
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012053345	0	41	0.0	-30.14	359.56	8.10	-22.04
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012053346	0	40	0.0	-33.28	353.36	8.87	-24.41
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])SC=N1	REAL300012053347	0	34	0.0	-28.10	313.02	6.06	-22.04
COC1=CC(F)=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053348	0	39	0.0	-31.01	348.27	7.77	-23.24
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=N1	REAL300012053349	0	45	0.0	-31.17	382.64	8.38	-22.79
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=CS1	REAL300012053350	0	35	0.0	-26.76	317.41	8.09	-18.67
CS(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053351	0	40	0.0	-37.27	364.55	7.06	-30.21
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012053352	0	45	0.0	-28.42	375.05	10.89	-17.53
N#CC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=N1	REAL300012053353	0	35	0.0	-31.62	328.30	6.86	-24.76
COC(=O)C1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CN1	REAL300012053354	0	39	0.0	-38.08	352.69	6.79	-31.29
COCC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])O1	REAL300012053355	0	39	0.0	-29.00	347.36	6.37	-22.63
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053356	0	37	0.0	-29.65	326.52	7.14	-22.51
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053357	0	42	0.0	-29.29	361.92	8.43	-20.86
CC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CS1	REAL300012053358	0	35	0.0	-28.77	324.22	8.15	-20.62
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])N=N1	REAL300012053359	0	36	0.0	-29.17	323.87	6.10	-23.07
CN1N=NC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053360	0	34	0.0	-35.57	307.09	4.76	-30.81
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012053361	0	32	0.0	-28.89	319.46	8.07	-20.82
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])N(C)N=C1	REAL300012053362	0	38	0.0	-29.82	333.25	6.65	-23.17
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053363	0	38	0.0	-28.58	350.50	9.57	-19.01
COCC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053364	0	42	0.0	-30.41	367.39	8.20	-22.21
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012053365	0	42	0.0	-28.78	361.58	10.51	-18.27
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012053366	0	31	0.0	-30.28	312.88	6.12	-24.16
C=CN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=N1	REAL300012053367	0	36	0.0	-33.77	325.64	7.37	-26.40
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012053368	0	45	0.0	-27.47	374.34	8.84	-18.63
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012053369	0	38	0.0	-30.77	344.52	9.34	-21.43
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C)=N1	REAL300012053370	0	44	0.0	-28.87	373.01	6.20	-22.67
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053371	0	39	0.0	-26.66	354.55	8.24	-18.42
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053372	0	45	0.0	-28.48	372.29	8.90	-19.58
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=NN1C	REAL300012053373	0	38	0.0	-32.21	331.93	6.72	-25.49
CCCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1C	REAL300012053374	0	47	0.0	-27.36	395.38	8.78	-18.58
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012053375	0	40	0.0	-32.04	353.03	8.01	-24.03
COCCN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=N1	REAL300012053376	0	42	0.0	-30.88	369.05	6.07	-24.81
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012053377	0	45	0.0	-28.39	378.09	11.05	-17.34
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1F	REAL300012053378	0	42	0.0	-35.03	369.94	8.70	-26.33
N#CC1=CSC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053379	0	33	0.0	-32.53	321.45	7.91	-24.62
COC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CC=C1C#N	REAL300012053380	0	40	0.0	-36.64	360.75	8.07	-28.57
CC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CC=C1C#N	REAL300012053381	0	39	0.0	-34.81	352.37	9.29	-25.52
CC1=CN=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])S1	REAL300012053382	0	34	0.0	-30.24	317.74	6.30	-23.94
CC(C)CN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=N1	REAL300012053383	0	44	0.0	-32.16	372.24	8.61	-23.55
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012053384	0	42	0.0	-25.35	353.21	10.38	-14.97
CCC1=CN=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])S1	REAL300012053385	0	37	0.0	-29.95	339.22	7.08	-22.87
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053386	0	44	0.0	-28.08	372.86	8.16	-19.92
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012053387	0	38	0.0	-29.68	350.25	8.10	-21.58
CC(C)C1=NC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])S1	REAL300012053388	0	40	0.0	-28.56	359.99	7.67	-20.89
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012053389	0	38	0.0	-33.75	348.55	7.40	-26.35
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])N1	REAL300012053390	0	43	0.0	-35.62	369.27	6.58	-29.04
NC(=O)C1=CSC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053391	0	36	0.0	-37.87	338.70	4.26	-33.61
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053392	0	47	0.0	-27.96	397.21	8.69	-19.27
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012053393	0	41	0.0	-29.46	366.92	8.57	-20.89
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053394	0	41	0.0	-24.49	350.10	9.52	-14.97
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012053395	0	35	0.0	-28.92	326.51	6.21	-22.71
CC(C)C1=CN=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])S1	REAL300012053396	0	40	0.0	-26.14	360.47	7.76	-18.38
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012053398	0	38	0.0	-28.36	347.13	7.87	-20.49
COCCCN1N=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053399	0	45	0.0	-28.87	373.19	6.84	-22.03
CCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=N1	REAL300012053400	0	40	0.0	-27.91	351.50	5.99	-21.92
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012053401	0	42	0.0	-28.55	360.25	10.45	-18.10
CC1=NN(C)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053402	0	38	0.0	-30.91	333.58	6.51	-24.40
N#CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1F	REAL300012053403	0	36	0.0	-38.89	339.11	8.84	-30.05
CC1=CC(F)=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(F)=C1	REAL300012053404	0	38	0.0	-28.24	344.39	9.13	-19.11
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053405	0	44	0.0	-28.32	368.43	7.94	-20.38
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CN1	REAL300012053406	0	42	0.0	-31.08	369.91	7.48	-23.60
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053407	0	44	0.0	-26.77	362.28	10.09	-16.68
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012053408	0	42	0.0	-31.81	356.93	7.79	-24.02
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012053409	0	37	0.0	-34.71	334.95	7.26	-27.45
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(Cl)=C1	REAL300012053410	0	38	0.0	-23.65	344.30	9.50	-14.15
CCC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053411	0	41	0.0	-28.71	355.24	9.83	-18.88
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(F)=C1	REAL300012053412	0	39	0.0	-32.76	346.10	7.67	-25.09
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012053413	0	42	0.0	-27.02	353.29	10.23	-16.79
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053414	0	39	0.0	-29.18	345.81	7.85	-21.33
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012053415	0	37	0.0	-32.21	342.30	8.13	-24.08
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012053416	0	39	0.0	-30.96	338.83	7.00	-23.96
C=CCCN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])N=N1	REAL300012053417	0	41	0.0	-36.74	362.71	7.04	-29.70
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012053418	0	42	0.0	-29.40	365.59	8.46	-20.94
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C)=C1	REAL300012053419	0	45	0.0	-28.59	375.16	9.16	-19.43
COC1=NC=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053420	0	38	0.0	-26.65	338.11	5.24	-21.41
COCC1=CSC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053421	0	39	0.0	-29.16	355.72	7.22	-21.94
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012053422	0	41	0.0	-28.35	353.22	6.83	-21.52
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012053423	0	35	0.0	-29.14	334.27	7.76	-21.38
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012053424	0	35	0.0	-28.70	328.16	8.54	-20.16
CCCN1N=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053425	0	41	0.0	-28.34	349.89	7.57	-20.77
CCCC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])S1	REAL300012053426	0	41	0.0	-26.34	366.12	9.82	-16.52
CC(C)C1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053427	0	44	0.0	-27.51	371.23	10.34	-17.17
CN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(Cl)=N1	REAL300012053428	0	35	0.0	-33.05	329.67	6.61	-26.44
COC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CC=C1Cl	REAL300012053429	0	39	0.0	-31.99	357.89	8.25	-23.74
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012053430	0	45	0.0	-29.56	381.72	8.92	-20.64
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(F)=C1	REAL300012053431	0	38	0.0	-25.82	339.33	9.15	-16.67
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053432	0	42	0.0	-35.85	367.13	7.32	-28.53
CN1N=CC2=CC(C[NH2+]C(CC3=CN=CC(Br)=C3)C(=O)[O-])=CN=C21	REAL300012053433	0	40	0.0	-35.93	355.34	7.49	-28.44
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053434	0	45	0.0	-29.67	376.53	8.45	-21.22
CC1=C(C)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CS1	REAL300012053435	0	38	0.0	-26.67	334.76	8.60	-18.07
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012053436	0	34	0.0	-34.12	329.95	7.09	-27.03
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053437	0	42	0.0	-29.90	368.79	8.72	-21.18
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053438	0	38	0.0	-26.22	339.05	9.44	-16.78
COC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C(F)C=C1C	REAL300012053439	0	42	0.0	-26.30	366.44	8.49	-17.81
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012053441	1	36	0.0	-30.69	334.61	5.76	-24.93
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012053442	0	43	0.0	-27.86	358.56	8.37	-19.49
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012053443	0	37	0.0	-39.10	338.80	8.90	-30.20
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012053444	0	40	0.0	-29.23	346.29	8.63	-20.60
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012053445	0	39	0.0	-32.77	347.08	6.77	-26.00
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053446	0	42	0.0	-28.12	366.36	8.66	-19.46
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012053447	0	40	0.0	-31.70	349.98	9.58	-22.12
CC1=COC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053448	0	35	0.0	-28.25	314.97	7.22	-21.03
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012053449	0	34	0.0	-26.94	324.08	7.06	-19.88
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053450	0	42	0.0	-30.73	365.98	9.89	-20.84
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012053452	0	38	0.0	-33.65	341.97	7.16	-26.49
CCCC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053454	0	44	0.0	-28.55	376.74	10.62	-17.93
CC1=C2C=C(C[NH2+]C(CC3=CN=CC(Br)=C3)C(=O)[O-])C=NC2=NN1	REAL300012053455	0	40	0.0	-37.24	354.10	6.88	-30.36
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NC=CS1	REAL300012053456	0	31	0.0	-30.69	295.78	5.51	-25.18
CN1N=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012053457	0	41	0.0	-26.91	360.12	8.31	-18.60
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012053458	0	38	0.0	-32.10	339.22	7.07	-25.03
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012053458	1	38	0.0	-27.14	338.13	6.99	-20.15
CCC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])S1	REAL300012053459	0	38	0.0	-26.93	345.95	9.08	-17.85
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012053460	0	40	0.0	-25.14	345.46	8.62	-16.52
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012053461	0	41	0.0	-31.13	356.56	9.34	-21.79
CCC1=NC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])S1	REAL300012053462	0	37	0.0	-28.97	339.21	7.06	-21.91
COC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])SC=C1	REAL300012053463	0	36	0.0	-25.95	330.32	6.79	-19.16
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CSC=C1Cl	REAL300012053464	0	32	0.0	-24.98	317.01	7.85	-17.13
CCCC(C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012053465	0	47	0.0	-30.00	388.28	10.98	-19.02
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1CC2CCC1C2	REAL300012053466	0	42	0.0	-28.67	336.31	9.00	-19.67
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(F)N=C1	REAL300012053467	0	34	0.0	-32.45	312.30	6.52	-25.93
CC1(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])CCC1	REAL300012053468	0	38	0.0	-28.32	316.20	8.12	-20.20
CC1(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])CC1	REAL300012053469	0	35	0.0	-28.66	300.79	7.75	-20.91
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1(C(F)F)CC1	REAL300012053470	0	35	0.0	-28.64	310.69	7.98	-20.66
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])NN=C1	REAL300012053471	0	35	0.0	-29.28	309.19	5.37	-23.91
CC1=CNN=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053471	1	35	0.0	-26.59	309.95	5.39	-21.20
CC1=CN=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])N1C	REAL300012053472	0	38	0.0	-33.33	331.33	7.27	-26.06
CC(C)C1CCC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])CC1	REAL300012053473	0	50	0.0	-28.30	380.92	10.16	-18.14
CCC1=NOC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053474	0	37	0.0	-29.20	327.55	7.15	-22.05
CN1N=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1Cl	REAL300012053475	0	35	0.0	-27.72	330.96	6.60	-21.12
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012053476	0	37	0.0	-37.18	332.83	5.87	-31.31
CC1=CN=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053477	0	37	0.0	-29.41	322.50	7.31	-22.10
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012053478	0	42	0.0	-30.99	361.51	10.53	-20.46
CC(C)N1C=CN=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053480	0	41	0.0	-32.20	353.19	8.28	-23.92
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053481	0	42	0.0	-27.36	360.75	7.98	-19.38
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053482	0	45	0.0	-28.37	376.00	8.50	-19.87
CC1=NC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])N1C	REAL300012053483	0	38	0.0	-32.46	331.56	7.31	-25.15
CC1=C2C=C(C[NH2+]C(CC3=CN=CC(Br)=C3)C(=O)[O-])NC2=CC=C1	REAL300012053484	0	42	0.0	-29.93	363.88	8.94	-20.99
CC1=CC=C2C=C(C[NH2+]C(CC3=CN=CC(Br)=C3)C(=O)[O-])NC2=C1	REAL300012053485	0	42	0.0	-30.40	365.62	9.00	-21.40
CC1=NC=CN=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053486	0	36	0.0	-31.67	317.97	5.17	-26.50
CCOC1=CN=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053487	0	41	0.0	-31.18	357.32	6.76	-24.42
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012053488	0	34	0.0	-29.23	315.70	7.06	-22.17
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012053489	0	38	0.0	-33.42	338.45	7.16	-26.26
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053490	0	43	0.0	-32.74	350.54	8.74	-24.00
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=NC(F)=C1	REAL300012053491	0	34	0.0	-35.06	312.34	6.53	-28.53
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012053492	0	39	0.0	-31.22	343.70	8.48	-22.74
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012053493	0	38	0.0	-37.57	342.80	5.87	-31.70
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012053494	0	37	0.0	-32.03	340.45	7.43	-24.60
COC1=CN=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1C	REAL300012053495	0	41	0.0	-29.99	351.58	6.56	-23.43
CCCN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])N=N1	REAL300012053496	0	40	0.0	-38.08	352.05	6.57	-31.51
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053497	0	43	0.0	-27.12	368.65	8.45	-18.67
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012053498	0	39	0.0	-27.51	343.73	9.04	-18.47
CC1=NSC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053499	0	34	0.0	-29.57	318.89	6.81	-22.76
CCN1N=CN=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053500	0	37	0.0	-26.13	324.42	7.53	-18.60
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012053501	0	38	0.0	-29.51	341.04	5.71	-23.80
CCC1=CNC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=N1	REAL300012053502	0	38	0.0	-33.54	332.96	6.45	-27.09
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012053503	0	44	0.0	-24.40	362.35	8.80	-15.60
CC1=NN(C)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1Cl	REAL300012053504	0	38	0.0	-25.83	349.16	6.97	-18.86
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012053505	0	43	0.0	-29.33	364.72	9.05	-20.28
CCC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(Cl)=NN1	REAL300012053506	0	38	0.0	-30.74	348.24	6.51	-24.23
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012053507	0	39	0.0	-26.01	358.73	7.36	-18.65
CCC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C)=NO1	REAL300012053508	0	40	0.0	-27.99	347.03	8.05	-19.94
CCN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])N=N1	REAL300012053509	0	37	0.0	-30.33	330.54	5.74	-24.59
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])O1	REAL300012053510	0	39	0.0	-30.71	345.80	7.90	-22.81
CCN1C=NC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053511	0	38	0.0	-27.40	334.92	8.52	-18.88
CC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CN=C1F	REAL300012053512	0	37	0.0	-34.26	332.67	7.14	-27.12
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053513	0	37	0.0	-31.42	326.73	7.17	-24.25
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C)=C1	REAL300012053514	0	42	0.0	-28.78	353.33	8.23	-20.55
CC1CC2=CC(C[NH2+]C(CC3=CN=CC(Br)=C3)C(=O)[O-])=CC=C2O1	REAL300012053515	0	43	0.0	-30.26	367.92	8.94	-21.32
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012053516	0	38	0.0	-30.75	341.94	5.88	-24.87
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012053517	0	40	0.0	-31.40	348.08	8.22	-23.18
CSCC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053518	0	42	0.0	-30.35	378.45	10.35	-20.00
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012053519	0	45	0.0	-29.41	383.25	9.17	-20.24
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053520	0	43	0.0	-29.56	365.39	5.93	-23.63
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053521	0	42	0.0	-29.59	358.25	7.85	-21.74
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012053522	0	42	0.0	-28.39	361.11	8.26	-20.13
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012053523	0	42	0.0	-29.53	359.20	8.14	-21.39
COC1=CC=C(C)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053524	0	42	0.0	-29.68	356.67	8.37	-21.31
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CN=CC(Br)=C3)C(=O)[O-])=C21	REAL300012053525	0	41	0.0	-29.62	348.59	9.62	-20.00
CCC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053526	0	41	0.0	-25.94	341.01	9.52	-16.42
CC1=CC(F)=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053527	0	38	0.0	-28.65	338.86	9.09	-19.56
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C)=C1C	REAL300012053528	0	44	0.0	-26.76	358.56	10.03	-16.73
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053529	0	47	0.0	-25.08	353.88	10.26	-14.82
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012053530	0	45	0.0	-31.65	368.38	8.79	-22.86
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012053531	0	38	0.0	-30.01	340.48	8.07	-21.94
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=NN1C(C)C	REAL300012053532	0	44	0.0	-28.48	373.62	8.12	-20.36
CC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012053533	0	45	0.0	-28.09	378.06	10.97	-17.12
CCOC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CC=N1	REAL300012053534	0	41	0.0	-30.02	359.98	6.00	-24.02
CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1C1CC1	REAL300012053535	0	45	0.0	-27.65	377.47	10.98	-16.67
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])O1	REAL300012053536	0	36	0.0	-28.11	324.76	6.94	-21.17
COCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])O1	REAL300012053537	0	43	0.0	-30.50	381.56	7.16	-23.34
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053538	0	47	0.0	-28.17	395.78	8.78	-19.39
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012053539	0	38	0.0	-29.12	343.35	7.10	-22.02
CCN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C)=N1	REAL300012053540	0	41	0.0	-28.57	354.18	7.64	-20.93
CN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012053541	0	42	0.0	-31.44	365.03	8.31	-23.13
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053542	0	42	0.0	-28.87	362.28	8.04	-20.83
CC(C)C1=NOC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053543	0	40	0.0	-28.85	348.41	7.68	-21.17
COC1=NC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1F	REAL300012053544	0	38	0.0	-27.55	342.85	5.14	-22.41
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012053545	0	35	0.0	-37.31	329.74	8.41	-28.90
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012053546	0	47	0.0	-28.17	394.13	9.93	-18.24
CC1=C(C)SC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=N1	REAL300012053547	0	37	0.0	-30.83	337.82	6.83	-24.00
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CSN=C1	REAL300012053548	0	31	0.0	-30.41	295.52	6.07	-24.34
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053549	0	47	0.0	-25.87	378.25	10.73	-15.14
CC(C)CN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])N=N1	REAL300012053550	0	43	0.0	-37.03	369.69	7.25	-29.78
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012053551	0	38	0.0	-30.93	346.87	7.59	-23.34
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012053552	0	35	0.0	-32.16	331.25	5.72	-26.44
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012053553	0	40	0.0	-29.42	348.19	8.32	-21.10
CN1C=C(Cl)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=N1	REAL300012053554	0	35	0.0	-28.12	330.48	6.56	-21.56
CSC1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053555	0	39	0.0	-27.87	351.23	9.44	-18.43
CC(C)C1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])N(C)N=C1	REAL300012053556	0	44	0.0	-28.41	370.51	7.83	-20.58
CC1=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CC(C)=N1	REAL300012053557	0	40	0.0	-30.70	349.14	7.81	-22.89
CCCN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C)=N1	REAL300012053558	0	44	0.0	-31.10	375.82	8.35	-22.75
CCN1C=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=N1	REAL300012053559	0	38	0.0	-27.96	335.44	6.94	-21.02
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012053560	0	37	0.0	-34.24	334.96	7.18	-27.06
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012053562	0	42	0.0	-27.03	377.55	10.65	-16.38
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012053563	0	43	0.0	-30.48	371.56	9.39	-21.09
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053564	0	42	0.0	-33.08	368.81	6.74	-26.34
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012053565	0	42	0.0	-29.72	357.29	7.29	-22.43
CCCN1C=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=N1	REAL300012053566	0	41	0.0	-28.10	358.26	7.73	-20.37
CC(C)N1C=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=N1	REAL300012053567	0	41	0.0	-27.73	355.45	7.49	-20.24
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053568	0	46	0.0	-30.72	383.76	8.90	-21.82
CN1C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=NC2=C1CCCC2	REAL300012053569	0	45	0.0	-33.83	373.72	9.03	-24.80
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012053570	0	43	0.0	-28.28	359.04	8.45	-19.83
COC1=NN(C)C=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053571	0	39	0.0	-28.46	348.05	4.20	-24.26
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012053572	0	39	0.0	-31.98	351.78	5.72	-26.26
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012053573	0	42	0.0	-30.36	356.62	9.29	-21.07
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012053574	0	37	0.0	-33.77	345.64	9.16	-24.61
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=N1	REAL300012053576	0	41	0.0	-29.55	352.49	5.70	-23.85
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1O	REAL300012053577	0	43	0.0	-30.32	364.03	6.05	-24.27
COC1=NC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=CC=C1C	REAL300012053578	0	41	0.0	-27.19	359.66	5.78	-21.41
CCCN1C=NC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053579	0	41	0.0	-29.43	347.08	9.09	-20.34
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CNC1=O	REAL300012053580	0	35	0.0	-31.40	315.95	5.31	-26.09
CCC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=NN1CC	REAL300012053581	0	44	0.0	-29.78	368.63	8.24	-21.54
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012053582	0	39	0.0	-31.53	343.93	6.85	-24.68
COC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=CS1	REAL300012053583	0	36	0.0	-25.23	331.72	6.80	-18.43
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053584	0	41	0.0	-28.58	364.22	9.95	-18.63
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012053585	0	35	0.0	-27.67	329.59	8.58	-19.09
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053586	0	44	0.0	-31.13	374.32	7.23	-23.90
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053587	0	42	0.0	-26.66	354.65	10.10	-16.56
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012053588	0	39	0.0	-31.49	342.08	9.66	-21.83
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012053589	0	38	0.0	-31.10	338.83	6.49	-24.61
COCC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053590	0	42	0.0	-27.49	356.00	8.17	-19.32
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012053591	0	43	0.0	-29.67	364.75	8.44	-21.23
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012053592	0	39	0.0	-33.85	346.80	3.66	-30.19
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012053593	0	38	0.0	-34.44	337.10	7.90	-26.54
C=CC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053594	0	39	0.0	-28.09	341.30	9.48	-18.61
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053595	0	41	0.0	-33.67	352.87	9.91	-23.76
CCN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012053596	0	45	0.0	-31.54	389.04	9.21	-22.33
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053597	0	43	0.0	-34.60	360.00	8.17	-26.43
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012053598	0	40	0.0	-32.48	352.03	8.84	-23.64
CC1=CC2=CC=CC(C[NH2+]C(CC3=CN=CC(Br)=C3)C(=O)[O-])=C2O1	REAL300012053599	0	41	0.0	-31.88	360.27	9.50	-22.38
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012053600	0	41	0.0	-29.88	357.06	8.53	-21.35
CCN1C=C(Cl)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=N1	REAL300012053601	0	38	0.0	-27.81	352.02	7.42	-20.39
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012053602	0	38	0.0	-29.39	344.51	9.33	-20.06
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012053603	0	32	0.0	-28.01	318.04	7.98	-20.03
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012053604	0	45	0.0	-31.63	380.07	8.93	-22.70
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012053605	0	38	0.0	-31.84	344.91	7.05	-24.79
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012053606	0	34	0.0	-28.52	326.85	7.08	-21.44
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053607	0	42	0.0	-26.28	366.19	6.50	-19.78
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012053608	0	42	0.0	-27.02	359.26	8.04	-18.98
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012053609	0	38	0.0	-29.96	348.43	7.23	-22.73
CC1=CN(C)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=N1	REAL300012053610	0	38	0.0	-26.31	332.61	7.31	-19.00
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012053611	0	45	0.0	-27.12	378.13	8.75	-18.37
CC1=NSC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053612	0	34	0.0	-29.36	313.21	6.68	-22.68
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012053613	0	38	0.0	-33.73	335.36	9.36	-24.37
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012053614	0	38	0.0	-36.42	337.29	7.06	-29.36
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053615	0	38	0.0	-26.70	330.30	9.03	-17.67
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053616	0	40	0.0	-30.40	362.13	8.26	-22.14
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053617	0	37	0.0	-28.80	336.98	7.62	-21.18
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053618	0	39	0.0	-30.29	358.60	8.21	-22.08
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053619	0	41	0.0	-27.16	355.43	6.58	-20.58
CC(C)N1C=NC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053620	0	41	0.0	-26.63	354.53	8.91	-17.72
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012053621	0	41	0.0	-28.41	361.62	8.80	-19.61
CC(C)OC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])O1	REAL300012053622	0	42	0.0	-31.30	368.25	8.69	-22.61
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053623	0	36	0.0	-34.37	338.29	8.87	-25.50
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053624	0	43	0.0	-33.80	370.45	9.01	-24.79
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053625	0	45	0.0	-28.06	377.95	8.75	-19.31
COC1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C)=N1	REAL300012053626	0	41	0.0	-29.39	354.44	5.74	-23.65
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=NS1	REAL300012053627	0	34	0.0	-29.22	313.75	6.78	-22.44
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=NO1	REAL300012053628	0	34	0.0	-29.31	306.25	6.61	-22.70
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012053629	0	38	0.0	-30.41	339.02	9.18	-21.23
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012053630	0	38	0.0	-29.80	347.94	9.80	-20.00
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC=C1CO	REAL300012053631	0	39	0.0	-28.59	335.97	5.84	-22.75
CC1=NSC(C)=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053632	0	37	0.0	-27.99	331.51	7.13	-20.86
CC(C)(C)C1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=NO1	REAL300012053633	0	43	0.0	-26.72	354.64	8.34	-18.38
C=CCN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=N1	REAL300012053634	0	39	0.0	-33.34	349.50	7.63	-25.71
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012053635	0	38	0.0	-35.82	337.29	7.06	-28.76
CCC(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=C1	REAL300012053636	0	47	0.0	-28.29	391.01	11.06	-17.23
O=C([O-])C(CC1=CN=CC(Br)=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012053637	0	45	0.0	-26.83	367.68	10.82	-16.01
CC1=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012053638	0	44	0.0	-28.01	365.84	11.04	-16.97
CC1=NC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C(C)S1	REAL300012053639	0	37	0.0	-23.99	334.66	6.77	-17.22
CCCN1N=CC(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1C	REAL300012053640	0	44	0.0	-28.70	375.37	8.20	-20.50
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012053641	0	42	0.0	-31.21	371.47	8.50	-22.71
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012053642	0	44	0.0	-27.83	373.50	8.33	-19.50
CN1C=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012053643	0	45	0.0	-28.19	381.37	8.81	-19.38
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CN=CC(Br)=C2)C(=O)[O-])O1	REAL300012053644	1	43	0.0	-28.57	370.23	5.84	-22.73
CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C)=C1	REAL300012053645	0	41	0.0	-27.60	348.74	9.66	-17.94
CC1=CC=C(C)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053646	0	41	0.0	-27.13	347.46	9.62	-17.51
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012053647	0	40	0.0	-32.47	352.38	8.70	-23.77
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1CC2C=CC1C2	REAL300012053648	0	40	0.0	-33.09	329.77	8.93	-24.16
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1CCCCC1	REAL300012053649	0	41	0.0	-29.82	332.23	8.68	-21.14
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053650	0	47	0.0	-28.34	387.42	10.66	-17.68
CC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1C	REAL300012053651	0	41	0.0	-30.48	344.95	9.48	-21.00
CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1C	REAL300012053652	0	41	0.0	-31.03	349.60	9.54	-21.49
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053653	0	45	0.0	-27.17	378.30	9.22	-17.95
COC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(Cl)=C1	REAL300012053654	0	39	0.0	-27.69	352.56	8.04	-19.65
N#CC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053655	0	36	0.0	-36.89	333.43	8.76	-28.13
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012053656	0	38	0.0	-28.49	349.44	9.75	-18.74
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012053657	0	41	0.0	-31.56	358.60	8.87	-22.69
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012053658	0	32	0.0	-28.48	319.84	8.10	-20.38
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012053659	0	40	0.0	-27.67	350.18	8.84	-18.83
CCC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])O1	REAL300012053660	0	38	0.0	-33.78	336.71	8.10	-25.68
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012053661	0	35	0.0	-30.14	322.36	8.40	-21.74
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012053662	0	35	0.0	-28.74	331.65	8.89	-19.85
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012053663	0	35	0.0	-36.97	335.10	8.94	-28.03
CCOC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053664	0	42	0.0	-31.78	363.93	8.60	-23.18
CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1F	REAL300012053665	0	38	0.0	-31.88	337.90	9.04	-22.84
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012053666	0	35	0.0	-35.47	331.55	8.56	-26.91
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012053667	0	38	0.0	-34.12	349.93	9.91	-24.21
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012053668	0	35	0.0	-36.48	333.78	8.90	-27.58
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012053669	0	34	0.0	-33.93	315.20	6.86	-27.07
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053670	0	44	0.0	-31.37	375.59	7.93	-23.44
COC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1Cl	REAL300012053671	0	39	0.0	-36.66	358.03	8.23	-28.43
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012053672	0	41	0.0	-29.09	353.31	7.50	-21.59
CCCOC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053673	0	45	0.0	-31.51	385.43	9.40	-22.11
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053674	0	45	0.0	-30.30	381.85	9.23	-21.07
CC(C)C1=NC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CS1	REAL300012053675	0	40	0.0	-28.90	360.27	7.41	-21.49
CC(C)(C)C1=NC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CS1	REAL300012053676	0	43	0.0	-28.77	379.21	7.91	-20.86
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])OC=C1	REAL300012053677	0	35	0.0	-29.80	311.42	7.06	-22.74
CC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CN=C1Cl	REAL300012053678	0	37	0.0	-31.78	341.72	7.56	-24.22
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012053679	0	39	0.0	-36.31	358.99	10.16	-26.15
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012053680	0	41	0.0	-28.21	361.52	9.54	-18.67
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012053681	0	38	0.0	-29.47	340.46	8.75	-20.72
CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])N=C1	REAL300012053682	0	37	0.0	-29.00	327.59	7.15	-21.85
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012053683	0	39	0.0	-40.43	354.18	9.74	-30.69
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012053684	0	32	0.0	-24.86	315.48	7.87	-16.99
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012053685	0	39	0.0	-31.20	349.64	8.35	-22.85
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012053686	0	39	0.0	-34.34	348.68	8.31	-26.03
CCOC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=N1	REAL300012053687	0	41	0.0	-27.05	360.27	5.92	-21.13
CC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CC=C1Cl	REAL300012053688	0	38	0.0	-30.51	348.05	9.47	-21.04
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012053689	0	37	0.0	-33.06	344.45	7.86	-25.20
CCCC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053690	0	44	0.0	-31.25	375.57	10.54	-20.71
COC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1C#N	REAL300012053691	0	40	0.0	-42.40	360.90	8.05	-34.35
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053692	0	41	0.0	-26.73	359.29	9.84	-16.89
CCOC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])N=C1	REAL300012053693	0	41	0.0	-35.58	358.95	6.74	-28.84
C=CCOC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053694	0	43	0.0	-31.96	376.83	9.19	-22.77
CC1=CC(C)=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1C	REAL300012053695	0	44	0.0	-27.05	364.48	10.15	-16.90
CC(C)(C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012053696	0	44	0.0	-33.76	359.29	10.03	-23.73
CC1CCC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])CC1	REAL300012053697	0	44	0.0	-34.00	347.35	9.10	-24.90
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053698	0	47	0.0	-31.03	390.24	11.22	-19.81
CCC1CCCC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C1	REAL300012053699	0	47	0.0	-30.47	372.65	9.97	-20.50
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053700	0	41	0.0	-23.84	358.72	9.90	-13.94
CCCC1CCC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])CC1	REAL300012053701	0	50	0.0	-28.74	392.84	10.68	-18.06
CC1CCCCC1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053702	0	44	0.0	-30.25	344.00	8.97	-21.28
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053703	0	42	0.0	-25.63	360.77	8.36	-17.27
COC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1F	REAL300012053704	0	39	0.0	-37.75	346.91	7.71	-30.04
CC(C)C1CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])CCO1	REAL300012053705	0	48	0.0	-30.20	382.37	8.40	-21.80
CC1(C)CCC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])CC1	REAL300012053706	0	47	0.0	-33.06	367.53	9.60	-23.46
CCSC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053707	0	42	0.0	-31.73	374.25	10.23	-21.50
COC1(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])CCCCC1	REAL300012053708	0	45	0.0	-28.91	355.57	7.73	-21.18
COCCC1(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])CCCCC1	REAL300012053709	0	51	0.0	-30.94	386.05	8.45	-22.49
CCCOC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053710	0	45	0.0	-30.25	385.39	9.40	-20.85
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012053711	0	38	0.0	-31.76	340.39	8.90	-22.86
CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012053712	0	40	0.0	-39.28	355.47	9.53	-29.75
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053713	0	45	0.0	-30.24	380.53	9.18	-21.06
CC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CC=C1F	REAL300012053714	0	38	0.0	-30.71	337.98	9.03	-21.68
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012053715	0	39	0.0	-27.79	342.03	8.35	-19.44
CC(C)CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053716	0	47	0.0	-28.92	393.77	11.06	-17.86
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012053717	0	35	0.0	-34.02	335.68	8.95	-25.07
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053718	0	41	0.0	-26.58	345.49	9.44	-17.14
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012053719	0	35	0.0	-29.77	334.84	8.92	-20.85
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012053720	0	35	0.0	-30.37	334.83	8.91	-21.46
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012053721	0	35	0.0	-31.33	324.04	8.47	-22.86
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012053722	0	35	0.0	-29.19	332.13	8.82	-20.37
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012053723	0	35	0.0	-30.82	324.40	8.46	-22.36
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053724	0	41	0.0	-37.54	357.59	8.68	-28.86
COC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=N1	REAL300012053725	0	38	0.0	-32.06	339.62	5.07	-26.99
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012053726	0	40	0.0	-34.28	348.39	8.22	-26.06
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012053727	0	39	0.0	-29.13	341.36	8.32	-20.81
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053728	0	38	0.0	-29.34	333.74	9.07	-20.27
CC1=NC(C)=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])S1	REAL300012053729	0	37	0.0	-29.98	338.41	6.85	-23.13
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053730	0	42	0.0	-38.29	367.73	6.62	-31.67
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012053731	0	41	0.0	-30.56	358.69	10.62	-19.94
COC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CC(OC)=C1	REAL300012053732	0	43	0.0	-31.41	371.54	6.99	-24.42
CN1C=NC2=CC(C[NH2+]C(CC3=CC=NC(Br)=C3)C(=O)[O-])=CC=C21	REAL300012053734	0	41	0.0	-36.66	359.64	9.68	-26.98
CCN1N=C(C)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1C	REAL300012053735	0	44	0.0	-31.57	376.28	8.02	-23.55
CC1=CC=C(F)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053736	0	38	0.0	-33.51	338.46	9.10	-24.41
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053737	0	38	0.0	-29.90	332.45	9.02	-20.88
CC1=NC=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053738	0	37	0.0	-30.53	319.20	7.08	-23.45
CC1(C)CCCC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C1	REAL300012053739	0	47	0.0	-33.20	367.52	9.60	-23.60
CC1=CCCC(C)C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053740	0	45	0.0	-28.62	352.82	9.65	-18.97
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012053741	0	40	0.0	-28.79	343.83	8.58	-20.21
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053742	0	38	0.0	-28.12	342.74	9.48	-18.64
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012053743	0	39	0.0	-37.62	350.00	9.74	-27.88
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012053744	0	34	0.0	-32.63	324.29	7.02	-25.61
CN1N=NC2=CC(C[NH2+]C(CC3=CC=NC(Br)=C3)C(=O)[O-])=CC=C21	REAL300012053745	0	40	0.0	-42.45	355.17	6.78	-35.67
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1CCCCCC1	REAL300012053746	0	44	0.0	-33.17	342.59	9.08	-24.09
COC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=N1	REAL300012053747	0	38	0.0	-27.28	338.42	4.99	-22.29
CC(C)N1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=N1	REAL300012053748	0	41	0.0	-30.52	355.60	7.57	-22.95
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012053749	0	38	0.0	-36.32	346.84	8.97	-27.35
COCC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053750	0	42	0.0	-34.33	367.56	8.10	-26.23
CC(C)(C)C1CCC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])CC1	REAL300012053751	0	53	0.0	-29.99	393.54	10.41	-19.58
CC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C(C)O1	REAL300012053752	0	38	0.0	-31.77	332.22	7.91	-23.86
CC(C)CC1=NC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])S1	REAL300012053753	0	43	0.0	-31.75	376.82	8.26	-23.49
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012053754	0	38	0.0	-34.28	343.13	7.53	-26.75
COC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053755	0	39	0.0	-30.69	342.03	7.68	-23.01
CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])O1	REAL300012053756	0	35	0.0	-33.84	315.20	7.33	-26.51
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC=C1	REAL300012053757	0	35	0.0	-31.92	312.53	8.38	-23.54
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])S1	REAL300012053758	0	43	0.0	-30.10	379.38	8.16	-21.94
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012053759	0	41	0.0	-31.54	357.08	7.54	-24.00
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012053760	0	35	0.0	-31.52	329.30	8.89	-22.63
CC(C)(C)N1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=N1	REAL300012053761	0	44	0.0	-29.89	373.98	8.15	-21.74
CC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CC(C)=C1	REAL300012053762	0	41	0.0	-28.28	354.07	9.66	-18.62
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(CO)O1	REAL300012053763	0	36	0.0	-37.31	326.63	3.98	-33.33
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CS1	REAL300012053764	0	32	0.0	-29.21	301.44	7.44	-21.77
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053765	0	42	0.0	-37.90	368.94	7.26	-30.64
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012053766	0	35	0.0	-29.10	323.24	8.83	-20.27
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012053767	0	37	0.0	-39.61	339.47	9.01	-30.60
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012053768	0	37	0.0	-36.61	339.47	9.01	-27.60
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012053769	0	41	0.0	-28.91	351.37	10.44	-18.47
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053770	0	43	0.0	-29.03	362.32	8.73	-20.30
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012053771	0	35	0.0	-30.11	327.98	8.85	-21.26
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012053772	0	35	0.0	-27.00	331.93	8.82	-18.18
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012053773	0	35	0.0	-31.35	318.98	8.44	-22.91
COC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1OC	REAL300012053774	0	43	0.0	-29.16	371.32	7.64	-21.52
COC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1OC	REAL300012053775	0	43	0.0	-36.17	371.25	7.57	-28.60
COC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(OC)=C1	REAL300012053776	0	43	0.0	-29.67	370.15	7.04	-22.63
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012053777	0	35	0.0	-29.34	322.36	8.39	-20.95
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1CC=CCC1	REAL300012053778	0	39	0.0	-29.81	326.07	8.61	-21.20
COC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053779	0	39	0.0	-31.27	340.75	7.63	-23.64
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053780	0	42	0.0	-30.67	360.72	10.17	-20.50
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053781	0	44	0.0	-28.39	371.44	10.26	-18.13
CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053782	0	42	0.0	-27.61	360.38	8.60	-19.01
CCOC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053783	0	42	0.0	-29.93	362.57	8.56	-21.37
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC=C1F	REAL300012053784	0	35	0.0	-31.23	315.78	8.38	-22.85
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012053785	0	35	0.0	-32.52	318.98	8.44	-24.08
COC1=CC=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053786	0	39	0.0	-32.34	340.60	7.75	-24.59
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])SC=C1	REAL300012053787	0	35	0.0	-28.64	321.24	8.06	-20.58
CC1=CC=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053788	0	38	0.0	-29.43	325.22	8.91	-20.52
CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053789	0	38	0.0	-29.06	333.94	9.05	-20.01
N#CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053790	0	36	0.0	-34.67	332.07	8.73	-25.94
CSC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053791	0	39	0.0	-29.83	351.43	9.36	-20.47
CC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053792	0	38	0.0	-29.11	333.98	9.04	-20.07
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CSC=C1	REAL300012053793	0	32	0.0	-28.45	301.24	7.28	-21.17
CCC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053794	0	41	0.0	-29.05	355.46	9.82	-19.23
CC1=CC(C)=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C)=C1	REAL300012053795	0	44	0.0	-26.41	366.91	10.10	-16.31
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012053796	0	35	0.0	-31.51	321.84	8.38	-23.13
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012053797	0	35	0.0	-37.68	323.89	8.45	-29.23
CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])S1	REAL300012053798	0	35	0.0	-32.30	324.65	8.28	-24.02
COC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1O	REAL300012053799	0	40	0.0	-35.93	351.44	5.47	-30.46
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053800	0	41	0.0	-31.20	352.08	7.07	-24.13
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053801	0	38	0.0	-27.49	350.69	7.02	-20.47
CCC1=NN(C)C=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053802	0	41	0.0	-32.61	356.48	7.50	-25.11
CN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012053803	0	47	0.0	-27.32	378.24	8.36	-18.96
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CN=C1	REAL300012053804	0	34	0.0	-34.68	306.01	6.55	-28.13
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CO1	REAL300012053805	0	32	0.0	-31.41	293.25	6.50	-24.91
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=NC=C1	REAL300012053806	0	34	0.0	-31.37	306.09	6.57	-24.80
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(Cl)O1	REAL300012053807	0	32	0.0	-30.39	309.00	7.08	-23.31
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053808	0	41	0.0	-28.65	366.16	9.14	-19.51
CC1=NOC(C)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053809	0	37	0.0	-31.47	328.38	7.12	-24.35
CC1=NC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CS1	REAL300012053810	0	34	0.0	-33.84	316.95	6.01	-27.83
CN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=N1	REAL300012053811	0	35	0.0	-31.03	314.03	6.14	-24.89
COC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1C	REAL300012053812	0	42	0.0	-33.57	362.08	8.42	-25.15
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053813	0	44	0.0	-30.01	359.92	7.24	-22.77
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NC=CN1	REAL300012053814	0	32	0.0	-30.60	290.61	5.06	-25.54
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053815	0	43	0.0	-30.48	368.85	7.10	-23.38
CN1C=CN=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053816	0	35	0.0	-29.18	310.63	6.69	-22.49
CC(C)(C)C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053817	0	37	0.0	-27.85	307.07	7.43	-20.42
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053818	0	39	0.0	-33.53	346.54	7.71	-25.82
CSC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])S1	REAL300012053819	0	36	0.0	-27.96	344.77	8.66	-19.30
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012053820	0	38	0.0	-33.74	338.59	7.03	-26.71
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN=CN=C1	REAL300012053821	0	33	0.0	-32.37	300.85	6.34	-26.03
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012053822	0	32	0.0	-26.38	318.05	7.92	-18.46
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053823	0	39	0.0	-30.41	344.92	7.73	-22.68
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NNC=C1	REAL300012053824	0	32	0.0	-34.72	290.28	4.69	-30.03
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=NN1	REAL300012053824	1	32	0.0	-31.76	292.47	4.76	-27.00
NC(=O)C1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053825	0	39	0.0	-38.80	347.11	5.16	-33.64
COC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CC=C1F	REAL300012053826	0	39	0.0	-36.03	346.91	7.70	-28.33
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053827	0	39	0.0	-29.63	355.26	8.17	-21.46
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN=CS1	REAL300012053828	0	31	0.0	-33.28	297.29	5.62	-27.66
CN1C=NC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053829	0	35	0.0	-31.84	310.53	7.44	-24.40
COC(=O)C1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CN1C	REAL300012053830	0	42	0.0	-32.27	370.67	8.53	-23.74
CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1Cl	REAL300012053831	0	38	0.0	-31.76	347.96	9.47	-22.29
COC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CC=C1C	REAL300012053832	0	42	0.0	-32.04	360.76	8.38	-23.66
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CSC=N1	REAL300012053833	0	31	0.0	-34.13	295.00	5.30	-28.83
CC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1F	REAL300012053834	0	38	0.0	-28.19	336.27	8.96	-19.23
N#CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(F)=C1	REAL300012053835	0	36	0.0	-34.44	338.93	8.79	-25.65
CC1=NNC(C)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053836	0	38	0.0	-28.61	331.70	5.87	-22.74
CC1=NNC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053837	0	35	0.0	-32.06	309.89	5.38	-26.68
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=NN1	REAL300012053837	1	35	0.0	-31.53	310.28	5.40	-26.13
CN1N=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053838	0	35	0.0	-32.92	313.16	5.95	-26.97
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012053839	0	38	0.0	-37.93	337.35	8.80	-29.13
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012053840	0	38	0.0	-28.62	347.64	7.56	-21.06
CCC1=NC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CS1	REAL300012053841	0	37	0.0	-28.49	339.23	6.81	-21.68
CC1=NN(C)C=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053842	0	38	0.0	-32.13	332.85	6.69	-25.44
CCN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=N1	REAL300012053843	0	38	0.0	-33.17	335.60	7.00	-26.17
CN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])N=N1	REAL300012053844	0	34	0.0	-33.26	309.31	4.88	-28.38
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053845	0	39	0.0	-39.50	345.80	5.11	-34.39
CN1C=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=N1	REAL300012053846	0	35	0.0	-31.48	315.37	6.08	-25.40
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1CCCCCCC1	REAL300012053847	0	47	0.0	-28.86	355.21	9.56	-19.30
CC1=CSC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=N1	REAL300012053848	0	34	0.0	-29.76	319.12	6.10	-23.66
COC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1F	REAL300012053849	0	39	0.0	-29.80	345.26	7.64	-22.16
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012053850	0	42	0.0	-28.39	356.77	10.24	-18.15
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=COC=N1	REAL300012053851	0	31	0.0	-36.70	285.80	2.90	-33.80
CCN1N=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053852	0	38	0.0	-30.96	327.14	6.77	-24.19
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012053853	0	41	0.0	-28.59	358.91	8.05	-20.54
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012053854	0	40	0.0	-35.93	352.19	8.81	-27.12
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])SC=N1	REAL300012053855	0	34	0.0	-28.47	313.23	6.04	-22.43
COC1=CC(F)=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053856	0	39	0.0	-33.88	348.46	7.74	-26.14
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=N1	REAL300012053857	0	45	0.0	-32.55	384.16	8.33	-24.22
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=CS1	REAL300012053858	0	35	0.0	-27.64	318.45	8.05	-19.59
CS(=O)C1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053859	0	40	0.0	-38.18	364.74	6.97	-31.21
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012053860	0	45	0.0	-28.46	373.95	10.83	-17.63
N#CC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=N1	REAL300012053861	0	35	0.0	-42.71	326.33	6.76	-35.95
COC(=O)C1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CN1	REAL300012053862	0	39	0.0	-33.17	354.20	6.81	-26.36
COCC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])O1	REAL300012053863	0	39	0.0	-36.34	348.88	6.38	-29.96
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053864	0	37	0.0	-33.29	325.63	7.02	-26.27
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053865	0	42	0.0	-27.91	359.95	8.33	-19.58
CC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CS1	REAL300012053866	0	35	0.0	-29.23	324.44	8.13	-21.10
CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])N=N1	REAL300012053867	0	36	0.0	-31.23	322.70	6.04	-25.19
CN1N=NC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053868	0	34	0.0	-36.14	307.31	4.74	-31.40
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012053869	0	32	0.0	-32.16	319.64	7.99	-24.17
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])N(C)N=C1	REAL300012053870	0	38	0.0	-32.71	333.45	6.57	-26.14
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053871	0	38	0.0	-32.86	348.52	9.47	-23.39
COCC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053872	0	42	0.0	-30.39	366.28	8.07	-22.32
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012053873	0	42	0.0	-29.29	361.75	10.48	-18.81
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012053874	0	31	0.0	-30.02	314.39	6.13	-23.89
C=CN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=N1	REAL300012053875	0	36	0.0	-34.07	325.86	7.34	-26.73
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012053876	0	45	0.0	-30.59	374.56	8.73	-21.86
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012053877	0	38	0.0	-31.49	344.72	9.25	-22.24
COC1=CC(C)=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C)=N1	REAL300012053878	0	44	0.0	-28.46	368.32	5.97	-22.49
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053879	0	39	0.0	-29.61	354.75	8.15	-21.46
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053880	0	45	0.0	-29.88	373.34	8.87	-21.01
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=NN1C	REAL300012053881	0	38	0.0	-35.64	333.06	6.58	-29.06
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1C	REAL300012053882	0	47	0.0	-28.51	396.42	8.73	-19.78
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012053883	0	40	0.0	-32.35	353.21	7.99	-24.36
COCCN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=N1	REAL300012053884	0	42	0.0	-33.44	369.24	6.05	-27.39
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012053885	0	45	0.0	-28.45	377.02	10.92	-17.53
CCOC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1F	REAL300012053886	0	42	0.0	-37.66	368.76	8.63	-29.03
N#CC1=CSC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053887	0	33	0.0	-37.02	323.80	7.89	-29.13
COC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CC=C1C#N	REAL300012053888	0	40	0.0	-40.04	360.89	8.05	-31.99
CC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CC=C1C#N	REAL300012053889	0	39	0.0	-38.17	352.51	9.27	-28.90
CC1=CN=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])S1	REAL300012053890	0	34	0.0	-28.88	317.08	6.24	-22.64
CC(C)CN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=N1	REAL300012053891	0	44	0.0	-33.00	373.78	8.63	-24.37
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012053892	0	42	0.0	-28.45	353.42	10.31	-18.14
CCC1=CN=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])S1	REAL300012053893	0	37	0.0	-28.71	338.57	7.02	-21.69
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053894	0	44	0.0	-31.61	375.22	8.15	-23.46
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012053895	0	38	0.0	-32.84	350.45	8.01	-24.83
CC(C)C1=NC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])S1	REAL300012053896	0	40	0.0	-29.72	360.19	7.64	-22.08
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012053897	0	38	0.0	-33.26	349.91	7.33	-25.93
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])N1	REAL300012053898	0	43	0.0	-41.28	369.85	6.56	-34.72
NC(=O)C1=CSC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053899	0	36	0.0	-36.88	338.88	4.24	-32.64
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053900	0	47	0.0	-28.15	395.07	8.53	-19.62
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012053901	0	41	0.0	-29.64	365.78	8.44	-21.20
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053902	0	41	0.0	-24.85	350.60	9.50	-15.35
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012053903	0	35	0.0	-31.90	327.98	6.22	-25.68
CC(C)C1=CN=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])S1	REAL300012053904	0	40	0.0	-29.19	360.67	7.67	-21.52
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012053906	0	38	0.0	-31.48	347.06	7.79	-23.69
COCCCN1N=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053907	0	45	0.0	-29.14	374.71	7.06	-22.08
CCN1N=C(C)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=N1	REAL300012053908	0	40	0.0	-34.52	349.53	5.89	-28.63
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012053909	0	42	0.0	-31.63	360.40	10.43	-21.20
CC1=NN(C)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053910	0	38	0.0	-30.04	333.78	6.49	-23.55
N#CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1F	REAL300012053911	0	36	0.0	-39.20	339.33	8.81	-30.39
CC1=CC(F)=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(F)=C1	REAL300012053912	0	38	0.0	-28.53	344.56	9.10	-19.43
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053913	0	44	0.0	-29.42	367.79	8.37	-21.05
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CN1	REAL300012053914	0	42	0.0	-31.39	368.79	7.35	-24.04
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053915	0	44	0.0	-28.33	364.29	10.08	-18.25
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012053916	0	42	0.0	-34.68	357.13	7.70	-26.98
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012053917	0	37	0.0	-37.88	335.15	7.17	-30.71
CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(Cl)=C1	REAL300012053918	0	38	0.0	-25.21	346.65	9.49	-15.72
CCC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053919	0	41	0.0	-31.33	354.07	9.77	-21.56
COC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(F)=C1	REAL300012053920	0	39	0.0	-30.12	347.60	7.70	-22.42
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012053921	0	42	0.0	-29.62	354.59	10.13	-19.49
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053922	0	39	0.0	-32.11	346.01	7.76	-24.35
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012053923	0	37	0.0	-33.83	344.66	8.12	-25.71
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012053924	0	39	0.0	-33.30	337.66	6.94	-26.36
C=CCCN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])N=N1	REAL300012053925	0	41	0.0	-39.85	362.92	6.95	-32.90
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012053926	0	42	0.0	-29.33	366.80	8.38	-20.95
CCOC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C)=C1	REAL300012053927	0	45	0.0	-31.17	378.71	9.22	-21.95
COC1=NC=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053928	0	38	0.0	-32.53	338.35	5.16	-27.37
COCC1=CSC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053929	0	39	0.0	-33.41	358.06	7.21	-26.20
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012053930	0	41	0.0	-39.79	354.72	6.84	-32.95
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012053931	0	35	0.0	-36.55	332.30	7.66	-28.89
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012053932	0	35	0.0	-38.14	329.68	8.56	-29.58
CCCN1N=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053933	0	41	0.0	-30.06	348.45	7.52	-22.54
CCCC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])S1	REAL300012053934	0	41	0.0	-31.26	365.48	9.76	-21.50
CC(C)C1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053935	0	44	0.0	-28.46	371.47	10.25	-18.21
CN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(Cl)=N1	REAL300012053936	0	35	0.0	-36.89	332.02	6.59	-30.30
COC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CC=C1Cl	REAL300012053937	0	39	0.0	-34.60	356.72	8.18	-26.42
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012053938	0	45	0.0	-30.77	380.14	8.82	-21.95
CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(F)=C1	REAL300012053939	0	38	0.0	-25.90	338.19	9.04	-16.86
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053940	0	42	0.0	-34.97	367.07	7.25	-27.72
CN1N=CC2=CC(C[NH2+]C(CC3=CC=NC(Br)=C3)C(=O)[O-])=CN=C21	REAL300012053941	0	40	0.0	-34.94	355.53	7.47	-27.47
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053942	0	45	0.0	-32.58	376.74	8.36	-24.22
CC1=C(C)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CS1	REAL300012053943	0	38	0.0	-27.08	334.98	8.58	-18.50
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012053944	0	34	0.0	-34.26	328.81	7.02	-27.24
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053945	0	42	0.0	-33.62	370.31	8.67	-24.95
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053946	0	38	0.0	-29.80	339.84	9.30	-20.50
COC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C(F)C=C1C	REAL300012053947	0	42	0.0	-31.69	366.64	8.47	-23.22
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012053949	1	36	0.0	-31.30	332.63	5.66	-25.64
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012053950	0	43	0.0	-30.76	359.37	8.34	-22.42
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012053951	0	37	0.0	-39.80	340.30	8.92	-30.88
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012053952	0	40	0.0	-30.33	347.32	8.59	-21.74
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012053953	0	39	0.0	-33.83	348.62	6.78	-27.05
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053954	0	42	0.0	-28.31	366.58	8.63	-19.68
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012053955	0	40	0.0	-32.18	348.84	9.45	-22.73
CC1=COC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053956	0	35	0.0	-31.26	315.15	7.19	-24.07
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012053957	0	34	0.0	-35.01	322.11	6.96	-28.05
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053958	0	42	0.0	-30.62	363.28	9.71	-20.91
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012053960	0	38	0.0	-32.14	343.48	7.18	-24.96
CCCC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012053962	0	44	0.0	-28.38	375.60	10.56	-17.82
CC1=C2C=C(C[NH2+]C(CC3=CC=NC(Br)=C3)C(=O)[O-])C=NC2=NN1	REAL300012053963	0	40	0.0	-37.73	354.32	6.86	-30.87
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NC=CS1	REAL300012053964	0	31	0.0	-33.74	295.97	5.48	-28.26
CN1N=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012053965	0	41	0.0	-29.82	360.33	8.22	-21.60
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012053966	0	38	0.0	-34.06	337.27	6.91	-27.15
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012053966	1	38	0.0	-30.47	339.59	7.00	-23.47
CCC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])S1	REAL300012053967	0	38	0.0	-29.47	344.77	9.02	-20.45
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012053968	0	40	0.0	-27.78	344.80	8.49	-19.29
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012053969	0	41	0.0	-30.53	357.73	9.30	-21.23
CCC1=NC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])S1	REAL300012053970	0	37	0.0	-32.00	338.57	7.01	-24.99
COC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])SC=C1	REAL300012053971	0	36	0.0	-29.07	330.50	6.71	-22.36
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CSC=C1Cl	REAL300012053972	0	32	0.0	-27.09	315.02	7.71	-19.38
CCCC(C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012053973	0	47	0.0	-27.61	391.14	11.05	-16.56
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1CC2CCC1C2	REAL300012053974	0	42	0.0	-28.70	336.53	8.97	-19.73
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(F)N=C1	REAL300012053975	0	34	0.0	-32.90	312.52	6.49	-26.41
CC1(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])CCC1	REAL300012053976	0	38	0.0	-28.28	315.11	8.00	-20.28
CC1(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])CC1	REAL300012053977	0	35	0.0	-32.23	300.97	7.72	-24.51
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1(C(F)F)CC1	REAL300012053978	0	35	0.0	-35.67	310.89	7.91	-27.76
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])NN=C1	REAL300012053979	0	35	0.0	-33.28	311.57	5.41	-27.87
CC1=CNN=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053979	1	35	0.0	-29.80	310.15	5.30	-24.50
CC1=CN=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])N1C	REAL300012053980	0	38	0.0	-36.59	332.85	7.22	-29.37
CC(C)C1CCC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])CC1	REAL300012053981	0	50	0.0	-28.84	382.47	10.17	-18.67
CCC1=NOC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053982	0	37	0.0	-32.41	328.62	7.11	-25.30
CN1N=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1Cl	REAL300012053983	0	35	0.0	-30.73	331.16	6.51	-24.22
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012053984	0	37	0.0	-41.07	335.18	5.85	-35.22
CC1=CN=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053985	0	37	0.0	-32.56	322.70	7.22	-25.34
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012053986	0	42	0.0	-33.71	359.56	10.42	-23.29
CC(C)N1C=CN=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053988	0	41	0.0	-27.96	350.37	8.10	-19.86
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053989	0	42	0.0	-30.13	360.92	7.94	-22.19
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053990	0	45	0.0	-31.47	376.16	8.41	-23.06
CC1=NC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])N1C	REAL300012053991	0	38	0.0	-30.42	333.08	7.34	-23.08
CC1=C2C=C(C[NH2+]C(CC3=CC=NC(Br)=C3)C(=O)[O-])NC2=CC=C1	REAL300012053992	0	42	0.0	-33.76	365.38	8.96	-24.80
CC1=CC=C2C=C(C[NH2+]C(CC3=CC=NC(Br)=C3)C(=O)[O-])NC2=C1	REAL300012053993	0	42	0.0	-33.73	365.79	8.98	-24.75
CC1=NC=CN=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053994	0	36	0.0	-34.42	318.15	5.14	-29.28
CCOC1=CN=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012053995	0	41	0.0	-31.53	358.83	6.78	-24.75
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012053996	0	34	0.0	-32.18	315.90	6.97	-25.21
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012053997	0	38	0.0	-32.05	338.70	7.08	-24.97
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012053998	0	43	0.0	-32.94	352.04	8.76	-24.18
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=NC(F)=C1	REAL300012053999	0	34	0.0	-35.42	312.56	6.51	-28.91
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012054000	0	39	0.0	-30.62	342.62	8.36	-22.26
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012054001	0	38	0.0	-42.16	345.11	5.86	-36.30
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012054002	0	37	0.0	-32.51	340.67	7.41	-25.10
COC1=CN=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1C	REAL300012054003	0	41	0.0	-32.31	349.63	6.40	-25.91
CCCN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])N=N1	REAL300012054004	0	40	0.0	-32.64	352.22	6.48	-26.16
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054005	0	43	0.0	-29.91	369.51	8.43	-21.48
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012054006	0	39	0.0	-29.77	342.55	8.98	-20.79
CC1=NSC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012054007	0	34	0.0	-32.05	317.74	6.75	-25.30
CCN1N=CN=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054008	0	37	0.0	-35.06	325.71	7.53	-27.53
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012054009	0	38	0.0	-32.39	341.22	5.67	-26.72
CCC1=CNC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=N1	REAL300012054010	0	38	0.0	-30.36	333.96	6.40	-23.96
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012054011	0	44	0.0	-32.23	363.33	8.81	-23.42
CC1=NN(C)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1Cl	REAL300012054012	0	38	0.0	-27.03	351.66	7.02	-20.01
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012054013	0	43	0.0	-30.56	366.24	9.01	-21.55
CCC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(Cl)=NN1	REAL300012054014	0	38	0.0	-26.11	345.81	6.59	-19.52
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012054015	0	39	0.0	-32.86	357.54	7.28	-25.58
CCC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C)=NO1	REAL300012054016	0	40	0.0	-30.32	347.28	7.96	-22.36
CCN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])N=N1	REAL300012054017	0	37	0.0	-32.97	330.72	5.71	-27.26
CCOC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])O1	REAL300012054018	0	39	0.0	-30.66	346.80	7.84	-22.82
CCN1C=NC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012054019	0	38	0.0	-30.30	335.06	8.50	-21.80
CC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CN=C1F	REAL300012054020	0	37	0.0	-32.74	332.85	7.12	-25.62
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054021	0	37	0.0	-34.75	326.93	7.09	-27.66
COC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C)=C1	REAL300012054022	0	42	0.0	-31.38	356.86	8.29	-23.09
CC1CC2=CC(C[NH2+]C(CC3=CC=NC(Br)=C3)C(=O)[O-])=CC=C2O1	REAL300012054023	0	43	0.0	-30.69	368.14	8.91	-21.78
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012054024	0	38	0.0	-34.35	342.13	5.80	-28.55
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012054025	0	40	0.0	-34.34	348.25	8.20	-26.14
CSCC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012054026	0	42	0.0	-30.23	377.33	10.22	-20.01
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012054027	0	45	0.0	-30.72	384.78	9.12	-21.60
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054028	0	43	0.0	-33.20	365.68	5.90	-27.30
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054029	0	42	0.0	-31.81	356.91	7.78	-24.03
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012054030	0	42	0.0	-29.13	361.32	8.16	-20.97
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012054031	0	42	0.0	-32.89	360.67	8.16	-24.73
COC1=CC=C(C)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012054032	0	42	0.0	-30.21	356.85	8.28	-21.93
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CC=NC(Br)=C3)C(=O)[O-])=C21	REAL300012054033	0	41	0.0	-32.56	350.94	9.61	-22.95
CCC1=CC=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054034	0	41	0.0	-29.67	345.95	9.66	-20.01
CC1=CC(F)=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012054035	0	38	0.0	-34.62	340.36	9.11	-25.51
CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C)=C1C	REAL300012054036	0	44	0.0	-29.30	359.94	10.02	-19.28
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054037	0	47	0.0	-27.87	357.14	10.15	-17.72
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012054038	0	45	0.0	-34.09	367.20	8.73	-25.36
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012054039	0	38	0.0	-32.21	338.53	7.91	-24.30
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=NN1C(C)C	REAL300012054040	0	44	0.0	-35.19	375.48	8.15	-27.04
CC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012054041	0	45	0.0	-31.12	378.21	10.95	-20.17
CCOC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CC=N1	REAL300012054042	0	41	0.0	-33.45	361.44	6.02	-27.43
CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1C1CC1	REAL300012054043	0	45	0.0	-29.16	379.61	10.99	-18.17
COC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])O1	REAL300012054044	0	36	0.0	-31.06	324.94	6.90	-24.16
COCCOC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])O1	REAL300012054045	0	43	0.0	-32.97	380.42	7.08	-25.89
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054046	0	47	0.0	-31.18	396.02	8.69	-22.49
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012054047	0	38	0.0	-31.46	342.18	7.05	-24.41
CCN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C)=N1	REAL300012054048	0	41	0.0	-31.73	354.38	7.56	-24.17
CN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012054049	0	42	0.0	-34.88	367.16	8.35	-26.53
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054050	0	42	0.0	-31.94	362.48	7.95	-23.99
CC(C)C1=NOC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054051	0	40	0.0	-32.23	348.61	7.59	-24.64
COC1=NC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1F	REAL300012054052	0	38	0.0	-36.45	343.93	5.09	-31.36
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012054053	0	35	0.0	-39.19	327.77	8.26	-30.93
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012054054	0	47	0.0	-31.21	393.12	9.86	-21.35
CC1=C(C)SC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=N1	REAL300012054055	0	37	0.0	-33.69	337.98	6.81	-26.88
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CSN=C1	REAL300012054056	0	31	0.0	-31.19	295.72	5.98	-25.21
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054057	0	47	0.0	-28.61	382.86	10.83	-17.78
CC(C)CN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])N=N1	REAL300012054058	0	43	0.0	-39.95	365.79	7.04	-32.91
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012054059	0	38	0.0	-29.60	348.37	7.60	-22.00
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012054060	0	35	0.0	-34.71	333.64	5.71	-29.00
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012054061	0	40	0.0	-33.02	348.43	8.22	-24.80
CN1C=C(Cl)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=N1	REAL300012054062	0	35	0.0	-31.96	329.83	6.50	-25.46
CSC1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012054063	0	39	0.0	-31.87	352.79	9.39	-22.48
CC(C)C1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])N(C)N=C1	REAL300012054064	0	44	0.0	-31.41	370.74	7.74	-23.67
CC1=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CC(C)=N1	REAL300012054065	0	40	0.0	-33.68	349.32	7.79	-25.89
CCCN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C)=N1	REAL300012054066	0	44	0.0	-32.14	378.03	8.39	-23.75
CCN1C=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=N1	REAL300012054067	0	38	0.0	-30.77	335.59	6.91	-23.86
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012054068	0	37	0.0	-37.23	335.17	7.09	-30.14
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012054070	0	42	0.0	-32.38	377.73	10.62	-21.76
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012054071	0	43	0.0	-31.56	373.08	9.35	-22.21
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012054072	0	42	0.0	-40.36	369.05	6.65	-33.71
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012054073	0	42	0.0	-30.95	358.34	7.24	-23.71
CCCN1C=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=N1	REAL300012054074	0	41	0.0	-30.44	357.09	7.67	-22.77
CC(C)N1C=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=N1	REAL300012054075	0	41	0.0	-34.05	353.47	7.39	-26.66
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012054076	0	46	0.0	-31.14	383.98	8.87	-22.27
CN1C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=NC2=C1CCCC2	REAL300012054077	0	45	0.0	-36.86	375.22	9.04	-27.82
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012054078	0	43	0.0	-30.96	357.09	8.29	-22.67
COC1=NN(C)C=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054079	0	39	0.0	-36.09	348.29	4.11	-31.98
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012054080	0	39	0.0	-34.81	351.92	5.70	-29.11
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012054081	0	42	0.0	-30.11	355.47	9.16	-20.95
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012054082	0	37	0.0	-37.97	347.16	9.12	-28.85
COC1=CC(C)=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=N1	REAL300012054084	0	41	0.0	-32.63	352.70	5.62	-27.01
COC1=CC(C)=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1O	REAL300012054085	0	43	0.0	-34.57	365.44	6.04	-28.53
COC1=NC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=CC=C1C	REAL300012054086	0	41	0.0	-34.95	357.69	5.68	-29.27
CCCN1C=NC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054087	0	41	0.0	-30.67	350.81	9.28	-21.39
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CNC1=O	REAL300012054088	0	35	0.0	-41.33	314.84	5.25	-36.08
CCC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=NN1CC	REAL300012054089	0	44	0.0	-31.65	366.67	8.06	-23.59
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012054090	0	39	0.0	-33.27	342.00	6.75	-26.52
COC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=CS1	REAL300012054091	0	36	0.0	-29.05	332.80	6.76	-22.29
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012054092	0	41	0.0	-32.28	365.78	9.90	-22.38
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012054093	0	35	0.0	-36.15	329.74	8.56	-27.59
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012054094	0	44	0.0	-31.68	374.54	7.20	-24.48
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054095	0	42	0.0	-30.01	359.67	10.24	-19.77
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012054096	0	39	0.0	-30.84	342.26	9.63	-21.21
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012054097	0	38	0.0	-34.11	339.04	6.40	-27.71
COCC1=CC=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054098	0	42	0.0	-30.00	358.98	8.22	-21.78
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012054099	0	43	0.0	-30.64	366.29	8.46	-22.18
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012054100	0	39	0.0	-32.04	346.99	3.64	-28.40
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012054101	0	38	0.0	-38.32	337.28	7.87	-30.45
C=CC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012054102	0	39	0.0	-28.96	342.38	9.42	-19.54
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054103	0	41	0.0	-36.61	350.93	9.82	-26.79
CCN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012054104	0	45	0.0	-34.55	388.69	9.22	-25.33
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054105	0	43	0.0	-34.54	360.22	8.14	-26.40
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012054106	0	40	0.0	-32.82	352.25	8.82	-24.00
CC1=CC2=CC=CC(C[NH2+]C(CC3=CC=NC(Br)=C3)C(=O)[O-])=C2O1	REAL300012054107	0	41	0.0	-33.02	361.80	9.53	-23.49
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012054108	0	41	0.0	-33.05	357.24	8.45	-24.60
CCN1C=C(Cl)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=N1	REAL300012054109	0	38	0.0	-32.54	353.51	7.44	-25.10
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012054110	0	38	0.0	-31.46	343.43	9.19	-22.27
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012054111	0	32	0.0	-34.16	319.53	7.94	-26.22
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012054112	0	45	0.0	-34.00	378.09	8.78	-25.22
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012054113	0	38	0.0	-34.95	345.06	7.01	-27.94
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012054114	0	34	0.0	-28.95	327.09	6.98	-21.97
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054115	0	42	0.0	-31.29	366.37	6.47	-24.82
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012054116	0	42	0.0	-30.28	360.73	8.05	-22.23
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012054117	0	38	0.0	-36.49	347.78	7.16	-29.33
CC1=CN(C)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=N1	REAL300012054118	0	38	0.0	-37.18	334.11	7.33	-29.85
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012054119	0	45	0.0	-33.44	376.16	8.65	-24.79
CC1=NSC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054120	0	34	0.0	-32.46	313.41	6.60	-25.86
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012054121	0	38	0.0	-36.33	333.98	9.28	-27.05
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012054122	0	38	0.0	-36.69	337.51	7.04	-29.65
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054123	0	38	0.0	-30.36	331.10	8.89	-21.47
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054124	0	40	0.0	-33.34	362.28	8.19	-25.15
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054125	0	37	0.0	-31.61	334.41	7.43	-24.18
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012054126	0	39	0.0	-33.41	358.77	8.19	-25.22
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054127	0	41	0.0	-30.20	355.63	6.50	-23.70
CC(C)N1C=NC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012054128	0	41	0.0	-29.48	354.68	8.89	-20.59
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012054129	0	41	0.0	-31.68	361.80	8.78	-22.90
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])O1	REAL300012054130	0	42	0.0	-34.46	368.45	8.60	-25.86
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012054131	0	36	0.0	-37.71	337.65	8.75	-28.96
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054132	0	43	0.0	-37.57	370.64	8.99	-28.58
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054133	0	45	0.0	-31.95	380.36	8.74	-23.21
COC1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C)=N1	REAL300012054134	0	41	0.0	-30.98	351.38	5.56	-25.42
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=NS1	REAL300012054135	0	34	0.0	-29.30	312.04	6.70	-22.60
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=NO1	REAL300012054136	0	34	0.0	-29.83	306.47	6.59	-23.24
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012054137	0	38	0.0	-31.31	340.52	9.20	-22.11
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012054138	0	38	0.0	-30.62	348.18	9.71	-20.91
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC=C1CO	REAL300012054139	0	39	0.0	-30.87	334.61	5.73	-25.14
CC1=NSC(C)=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054140	0	37	0.0	-31.77	332.65	7.16	-24.61
CC(C)(C)C1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=NO1	REAL300012054141	0	43	0.0	-26.72	352.41	8.24	-18.48
C=CCN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=N1	REAL300012054142	0	39	0.0	-33.76	349.72	7.60	-26.16
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012054143	0	38	0.0	-36.68	338.82	7.08	-29.60
CCC(C)C1=CC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=C1	REAL300012054144	0	47	0.0	-28.86	391.25	10.97	-17.89
O=C([O-])C(CC1=CC=NC(Br)=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012054145	0	45	0.0	-29.94	367.89	10.74	-19.20
CC1=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012054146	0	44	0.0	-28.47	368.19	11.08	-17.39
CC1=NC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C(C)S1	REAL300012054147	0	37	0.0	-33.61	336.69	6.74	-26.87
CCCN1N=CC(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1C	REAL300012054148	0	44	0.0	-35.29	377.21	8.23	-27.06
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012054149	0	42	0.0	-35.39	374.46	8.50	-26.89
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012054150	0	44	0.0	-28.06	372.37	8.20	-19.86
CN1C=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012054151	0	45	0.0	-32.14	383.74	8.80	-23.34
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=NC(Br)=C2)C(=O)[O-])O1	REAL300012054152	1	43	0.0	-34.74	371.74	5.86	-28.88
CC(C)(C)C[NH2+]C(CC1=CC(Br)=NC(Br)=C1)C(=O)[O-]	REAL300012054153	0	37	0.0	-28.26	327.71	7.89	-20.37
CC1(C[NH2+]C(CC2=CC(Br)=NC(Br)=C2)C(=O)[O-])CC1	REAL300012054154	0	35	0.0	-29.17	321.16	8.18	-20.99
CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C)=C1	REAL300012054155	0	42	0.0	-27.16	363.18	11.04	-16.12
CC1=CC=C(C)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054156	0	42	0.0	-26.63	361.89	11.02	-15.61
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012054157	0	41	0.0	-34.13	366.79	10.13	-24.00
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1CC2C=CC1C2	REAL300012054158	0	41	0.0	-28.81	342.86	10.27	-18.54
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1CCCCC1	REAL300012054159	0	42	0.0	-31.46	346.68	10.10	-21.36
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054160	0	48	0.0	-30.77	403.18	12.13	-18.64
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012054161	0	43	0.0	-28.92	382.08	9.62	-19.30
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012054162	0	33	0.0	-29.14	328.09	8.63	-20.51
CC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1C	REAL300012054163	0	42	0.0	-26.22	357.30	10.86	-15.36
CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1C	REAL300012054164	0	42	0.0	-30.72	365.37	11.01	-19.71
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054165	0	46	0.0	-30.97	393.51	10.69	-20.28
CCC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012054166	0	45	0.0	-30.28	396.72	11.67	-18.61
COC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(Cl)=C1	REAL300012054167	0	40	0.0	-32.09	365.59	9.43	-22.66
N#CC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054168	0	37	0.0	-33.18	347.82	10.15	-23.03
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012054169	0	39	0.0	-31.13	363.37	11.17	-19.96
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012054170	0	42	0.0	-31.13	373.02	10.26	-20.87
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])O1	REAL300012054171	0	43	0.0	-34.47	381.31	9.24	-25.23
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012054172	0	42	0.0	-30.85	376.95	7.83	-23.02
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012054173	0	33	0.0	-29.51	332.91	9.49	-20.02
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012054174	0	41	0.0	-25.79	366.75	10.30	-15.49
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012054175	0	43	0.0	-38.55	385.34	11.01	-27.54
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012054176	0	42	0.0	-40.85	380.27	12.33	-28.52
CCC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])O1	REAL300012054177	0	39	0.0	-29.58	351.10	9.54	-20.04
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012054178	0	36	0.0	-27.39	338.93	9.86	-17.53
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012054179	0	36	0.0	-24.56	343.91	10.20	-14.36
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012054180	0	36	0.0	-35.72	348.23	10.32	-25.40
CCOC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054181	0	43	0.0	-27.89	377.00	9.95	-17.94
CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1F	REAL300012054182	0	39	0.0	-31.40	353.68	10.52	-20.88
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012054183	0	36	0.0	-25.50	356.39	10.72	-14.78
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012054184	0	36	0.0	-34.24	344.64	9.91	-24.33
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012054185	0	39	0.0	-31.21	364.35	11.30	-19.91
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012054186	0	36	0.0	-36.38	349.55	10.38	-26.00
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012054187	0	35	0.0	-32.55	332.84	8.38	-24.17
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054188	0	45	0.0	-33.98	391.37	9.43	-24.55
COC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1Cl	REAL300012054189	0	40	0.0	-35.47	371.17	9.61	-25.86
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012054190	0	42	0.0	-27.01	369.83	8.97	-18.04
CCCOC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054191	0	46	0.0	-27.77	398.50	10.75	-17.02
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054192	0	46	0.0	-28.24	396.24	10.62	-17.62
CC(C)C1=NC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CS1	REAL300012054193	0	41	0.0	-27.79	374.73	8.84	-18.95
CC(C)(C)C1=NC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CS1	REAL300012054194	0	44	0.0	-27.15	392.34	9.31	-17.84
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])OC=C1	REAL300012054195	0	36	0.0	-28.72	325.87	8.49	-20.23
CC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CN=C1Cl	REAL300012054196	0	38	0.0	-31.65	357.46	9.00	-22.65
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012054197	0	41	0.0	-25.63	371.02	10.30	-15.33
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012054198	0	41	0.0	-26.26	371.81	10.32	-15.94
COC1=CC=C2OC(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])=CC2=C1	REAL300012054199	0	43	0.0	-31.83	382.99	9.57	-22.26
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012054200	0	40	0.0	-35.34	373.41	11.59	-23.75
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012054201	0	42	0.0	-30.53	373.92	10.86	-19.67
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012054202	0	39	0.0	-28.41	353.56	10.10	-18.31
CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])N=C1	REAL300012054203	0	38	0.0	-28.39	343.39	8.63	-19.76
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012054204	0	40	0.0	-39.60	368.57	11.17	-28.43
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012054205	0	43	0.0	-29.84	384.53	10.89	-18.95
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012054206	0	33	0.0	-27.52	329.87	9.26	-18.26
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012054207	0	40	0.0	-34.02	365.35	9.79	-24.23
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012054208	0	40	0.0	-31.14	363.10	9.70	-21.44
CCOC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054209	0	42	0.0	-28.31	374.66	7.35	-20.96
CC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012054210	0	44	0.0	-34.30	388.22	10.99	-23.31
CC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC=C1Cl	REAL300012054211	0	39	0.0	-31.91	361.13	10.86	-21.05
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012054212	0	38	0.0	-34.23	357.53	9.24	-24.99
CCCC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054213	0	45	0.0	-30.47	390.02	11.97	-18.50
COC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1C#N	REAL300012054214	0	41	0.0	-42.43	376.67	9.52	-32.91
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054215	0	42	0.0	-29.46	373.57	11.29	-18.17
CCOC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])N=C1	REAL300012054216	0	42	0.0	-29.21	373.39	8.17	-21.04
C=CCOC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054217	0	44	0.0	-28.07	389.90	10.54	-17.53
CC1=CC(C)=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1C	REAL300012054218	0	45	0.0	-26.64	378.90	11.54	-15.10
CC(C)(C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012054219	0	45	0.0	-29.01	373.71	11.42	-17.59
CC1CCC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])CC1	REAL300012054220	0	45	0.0	-31.54	360.47	10.49	-21.05
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054221	0	48	0.0	-35.51	405.98	12.69	-22.82
CCC1CCCC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C1	REAL300012054222	0	48	0.0	-32.74	385.73	11.37	-21.37
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054223	0	42	0.0	-29.26	377.00	11.43	-17.83
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])=CC2=C1	REAL300012054224	0	45	0.0	-30.45	393.14	11.53	-18.92
CCCC1CCC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])CC1	REAL300012054225	0	51	0.0	-29.07	407.20	12.09	-16.98
CC1CCCCC1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054226	0	45	0.0	-32.38	357.03	10.34	-22.04
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012054227	0	43	0.0	-37.85	382.94	12.19	-25.66
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054228	0	43	0.0	-24.99	375.19	9.75	-15.24
COC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1F	REAL300012054229	0	40	0.0	-37.70	362.69	9.18	-28.52
CC(C)C1CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])CCO1	REAL300012054230	0	49	0.0	-33.18	396.77	9.81	-23.37
CC1(C)CCC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])CC1	REAL300012054231	0	48	0.0	-31.67	380.64	10.98	-20.69
CCSC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054232	0	43	0.0	-28.15	388.64	11.63	-16.52
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012054233	1	37	0.0	-32.34	358.13	7.50	-24.84
COC1(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])CCCCC1	REAL300012054234	0	46	0.0	-25.87	369.99	9.11	-16.76
CCN1N=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012054235	0	45	0.0	-29.48	398.71	10.59	-18.89
COCCC1(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])CCCCC1	REAL300012054236	0	52	0.0	-28.68	405.32	9.98	-18.70
CCCOC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054237	0	46	0.0	-32.77	399.83	10.83	-21.94
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012054238	0	39	0.0	-30.14	353.52	10.29	-19.85
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012054239	0	43	0.0	-29.90	385.89	11.65	-18.25
CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012054240	0	41	0.0	-34.68	369.84	10.96	-23.72
CC(C)OC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054241	0	46	0.0	-32.11	396.26	10.65	-21.46
CC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC=C1F	REAL300012054242	0	39	0.0	-32.73	352.39	10.46	-22.27
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012054243	0	40	0.0	-28.56	357.00	9.73	-18.83
CC(C)CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054244	0	48	0.0	-30.35	406.86	12.45	-17.90
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012054245	0	36	0.0	-30.07	360.42	10.78	-19.29
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012054246	0	36	0.0	-30.60	350.10	10.35	-20.25
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054247	0	42	0.0	-27.59	356.98	10.76	-16.83
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012054248	0	33	0.0	-30.80	329.41	8.54	-22.26
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012054249	0	40	0.0	-31.20	366.22	9.35	-21.85
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012054250	0	36	0.0	-34.94	349.28	10.35	-24.59
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012054251	0	36	0.0	-26.76	349.26	10.30	-16.46
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012054252	0	36	0.0	-31.23	339.78	9.91	-21.32
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012054253	0	36	0.0	-26.77	348.71	10.29	-16.48
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012054254	0	43	0.0	-28.92	384.03	9.68	-19.24
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012054254	1	43	0.0	-32.05	384.34	9.73	-22.32
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012054255	0	36	0.0	-27.40	338.82	9.85	-17.55
CN1C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=NC2=CC=CC=C21	REAL300012054256	0	42	0.0	-37.69	373.37	10.15	-27.54
COC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=N1	REAL300012054257	0	39	0.0	-33.12	352.68	6.46	-26.66
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012054258	0	41	0.0	-32.96	361.53	9.62	-23.34
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012054259	0	47	0.0	-31.77	399.56	9.67	-22.10
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012054260	0	40	0.0	-28.12	358.14	9.79	-18.33
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054261	0	39	0.0	-28.00	346.00	10.37	-17.63
CC1=NC(C)=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054262	0	38	0.0	-29.74	349.55	8.18	-21.56
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054263	0	43	0.0	-41.28	383.45	8.09	-33.19
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012054264	0	42	0.0	-32.35	373.07	12.05	-20.30
COC1=C2OC(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])=CC2=CC=C1	REAL300012054265	0	43	0.0	-31.96	384.34	9.62	-22.34
COC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC(OC)=C1	REAL300012054266	0	44	0.0	-30.79	385.96	8.38	-22.41
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012054268	0	42	0.0	-40.66	377.31	8.82	-31.84
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012054269	0	43	0.0	-32.65	385.04	9.65	-23.00
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012054270	0	42	0.0	-37.85	377.71	9.51	-28.34
CN1C=NC2=CC(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])=CC=C21	REAL300012054271	0	42	0.0	-39.30	375.37	11.14	-28.16
CCN1N=C(C)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1C	REAL300012054272	0	45	0.0	-28.21	389.34	9.37	-18.84
CC1(C)CC2=CC(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])=CC=C2O1	REAL300012054273	0	47	0.0	-33.28	403.07	11.01	-22.27
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012054274	0	42	0.0	-29.14	382.30	8.19	-20.95
CC1=CC=C(F)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054275	0	39	0.0	-30.03	351.56	10.45	-19.58
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054276	0	39	0.0	-29.55	346.88	10.42	-19.13
CC1=NC=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054277	0	38	0.0	-31.58	331.89	8.44	-23.14
CC1(C)CCCC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C1	REAL300012054278	0	48	0.0	-28.76	381.94	10.98	-17.78
CC1=CCCC(C)C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054279	0	46	0.0	-26.99	365.48	10.96	-16.03
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012054280	0	41	0.0	-29.01	361.22	10.04	-18.97
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054281	0	39	0.0	-28.28	358.51	10.88	-17.40
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012054282	0	40	0.0	-36.75	364.41	11.17	-25.58
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012054283	0	35	0.0	-34.15	338.67	8.45	-25.70
CN1N=NC2=CC(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])=CC=C21	REAL300012054284	0	41	0.0	-41.91	369.62	8.21	-33.70
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1CCCCCC1	REAL300012054285	0	45	0.0	-29.06	357.82	10.51	-18.55
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])=C2O1	REAL300012054286	0	47	0.0	-24.63	393.95	10.69	-13.94
COC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054287	0	39	0.0	-28.58	352.80	6.42	-22.16
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012054288	0	43	0.0	-39.09	384.02	10.96	-28.13
CC(C)N1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=N1	REAL300012054289	0	42	0.0	-31.57	368.68	8.96	-22.61
CC1=NC2=CC=C(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])C=C2C=C1	REAL300012054290	0	44	0.0	-34.25	388.34	10.74	-23.51
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012054291	0	38	0.0	-29.73	350.87	8.87	-20.86
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012054292	0	39	0.0	-31.78	361.25	10.40	-21.38
COCC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054293	0	43	0.0	-33.59	382.02	9.53	-24.06
CC(C)(C)C1CCC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])CC1	REAL300012054294	0	54	0.0	-31.31	408.45	11.84	-19.47
CC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C(C)O1	REAL300012054295	0	39	0.0	-29.61	348.74	9.38	-20.23
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012054296	0	47	0.0	-31.74	408.69	11.57	-20.17
CC(C)CC1=NC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054297	0	44	0.0	-30.96	392.04	9.72	-21.24
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012054298	0	39	0.0	-33.54	357.59	8.96	-24.58
COC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054299	0	40	0.0	-33.15	356.48	9.10	-24.05
CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])O1	REAL300012054300	0	36	0.0	-30.79	329.62	8.72	-22.07
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC=C1	REAL300012054301	0	36	0.0	-31.13	326.92	9.81	-21.32
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054302	0	44	0.0	-30.72	392.48	9.55	-21.17
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012054303	0	42	0.0	-35.00	370.14	8.92	-26.08
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012054304	0	36	0.0	-28.06	342.37	10.24	-17.82
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012054305	0	43	0.0	-34.16	385.79	10.98	-23.18
CC(C)(C)N1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=N1	REAL300012054306	0	45	0.0	-34.81	389.72	9.63	-25.18
CC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC(C)=C1	REAL300012054307	0	42	0.0	-30.24	368.47	11.09	-19.15
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(CO)O1	REAL300012054308	0	37	0.0	-32.27	339.71	5.37	-26.90
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CS1	REAL300012054309	0	33	0.0	-29.32	317.18	8.91	-20.41
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054310	0	43	0.0	-40.35	383.34	8.69	-31.66
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012054311	0	36	0.0	-26.55	338.83	10.28	-16.27
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012054312	0	38	0.0	-33.77	355.17	10.44	-23.33
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012054313	0	38	0.0	-38.83	353.88	10.43	-28.40
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012054314	0	42	0.0	-30.96	364.56	11.86	-19.10
CN(C)C1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054315	0	44	0.0	-31.46	378.49	10.21	-21.25
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012054316	0	36	0.0	-32.12	342.39	10.28	-21.84
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012054317	0	36	0.0	-27.67	346.32	10.21	-17.46
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012054318	0	36	0.0	-33.31	333.39	9.87	-23.44
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012054319	0	40	0.0	-27.93	364.85	9.41	-18.52
COC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1OC	REAL300012054320	0	44	0.0	-26.70	385.75	9.02	-17.68
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012054321	0	36	0.0	-24.11	354.23	10.65	-13.46
COC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1OC	REAL300012054322	0	44	0.0	-35.50	385.70	9.00	-26.50
COC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(OC)=C1	REAL300012054323	0	44	0.0	-33.23	384.58	8.47	-24.76
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012054324	0	39	0.0	-34.17	365.71	10.81	-23.36
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012054325	0	36	0.0	-34.98	337.63	9.85	-25.13
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012054326	0	36	0.0	-25.42	354.84	10.67	-14.75
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012054327	0	36	0.0	-35.33	358.87	10.78	-24.55
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1CC=CCC1	REAL300012054328	0	40	0.0	-32.08	339.16	10.01	-22.07
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012054329	0	40	0.0	-33.60	366.24	9.39	-24.21
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012054330	0	39	0.0	-32.20	355.52	10.84	-21.36
COC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054331	0	40	0.0	-28.25	355.14	9.03	-19.22
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054332	0	43	0.0	-31.47	373.33	11.54	-19.93
CC(C)C1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054333	0	45	0.0	-30.88	387.20	11.74	-19.14
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012054334	0	39	0.0	-29.09	364.37	10.72	-18.37
CCOC1=CC=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054335	0	43	0.0	-25.22	376.96	10.06	-15.16
CCOC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054336	0	43	0.0	-32.44	377.01	9.99	-22.45
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC=C1F	REAL300012054337	0	36	0.0	-27.97	331.52	9.85	-18.12
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012054338	0	36	0.0	-28.61	332.05	9.80	-18.81
COC1=CC=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054339	0	40	0.0	-25.68	355.04	9.13	-16.55
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])SC=C1	REAL300012054340	0	36	0.0	-27.65	334.35	9.41	-18.24
CC1=CC=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054341	0	39	0.0	-26.70	340.43	10.35	-16.35
CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054342	0	39	0.0	-30.51	347.06	10.44	-20.07
N#CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054343	0	37	0.0	-36.98	346.51	10.16	-26.82
CSC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054344	0	40	0.0	-32.47	365.87	10.79	-21.68
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012054345	0	36	0.0	-27.71	355.10	10.63	-17.08
CC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054346	0	39	0.0	-27.73	347.04	10.39	-17.34
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CSC=C1	REAL300012054347	0	33	0.0	-30.90	316.96	8.75	-22.15
CCC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054348	0	42	0.0	-30.47	368.55	11.20	-19.27
CC1=CC(C)=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C)=C1	REAL300012054349	0	45	0.0	-27.80	376.31	11.37	-16.43
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012054350	0	36	0.0	-30.62	336.29	9.80	-20.82
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012054351	0	36	0.0	-37.05	338.34	9.89	-27.16
CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054352	0	36	0.0	-29.10	339.06	9.71	-19.39
COC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1O	REAL300012054353	0	41	0.0	-35.27	365.90	6.90	-28.37
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054354	0	42	0.0	-31.10	367.84	8.54	-22.56
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054355	0	39	0.0	-26.78	365.11	8.42	-18.36
CCC1=NN(C)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054356	0	42	0.0	-29.86	370.90	8.88	-20.98
CN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012054357	0	48	0.0	-26.23	387.98	9.60	-16.63
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CN=C1	REAL300012054358	0	35	0.0	-33.99	320.47	7.98	-26.01
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CO1	REAL300012054359	0	33	0.0	-30.42	307.70	7.94	-22.48
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=NC=C1	REAL300012054360	0	35	0.0	-30.80	320.51	7.96	-22.84
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(Cl)O1	REAL300012054361	0	33	0.0	-29.23	323.45	8.51	-20.72
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054362	0	42	0.0	-25.76	381.36	10.56	-15.20
CC1=NOC(C)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054363	0	38	0.0	-29.38	344.09	8.56	-20.82
CC1=NC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CS1	REAL300012054364	0	35	0.0	-28.35	333.52	7.52	-20.83
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012054365	0	42	0.0	-34.05	379.23	9.48	-24.57
CN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=N1	REAL300012054366	0	36	0.0	-35.66	328.45	7.57	-28.09
COC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1C	REAL300012054367	0	43	0.0	-32.85	376.53	9.85	-23.00
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054368	0	45	0.0	-26.74	371.59	8.55	-18.19
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NC=CN1	REAL300012054369	0	33	0.0	-29.89	306.38	6.53	-23.36
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054370	0	44	0.0	-29.84	383.27	8.53	-21.31
CN1C=CN=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054371	0	36	0.0	-36.67	326.61	8.16	-28.51
CC(C)(C)C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054372	0	38	0.0	-27.70	322.81	8.86	-18.84
COC1=CC=C(F)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054373	0	40	0.0	-30.64	360.96	9.10	-21.54
CSC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054374	0	37	0.0	-30.15	360.47	10.13	-20.02
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012054375	0	39	0.0	-27.11	352.97	8.42	-18.69
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN=CN=C1	REAL300012054376	0	34	0.0	-34.09	315.29	7.77	-26.32
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012054377	0	33	0.0	-29.54	331.15	9.30	-20.24
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054378	0	40	0.0	-27.32	360.18	9.15	-18.17
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NNC=C1	REAL300012054379	0	33	0.0	-30.44	306.86	6.20	-24.24
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=NN1	REAL300012054379	1	33	0.0	-31.46	306.86	6.14	-25.32
NC(=O)C1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054380	0	40	0.0	-40.65	360.20	6.55	-34.10
COC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC=C1F	REAL300012054381	0	40	0.0	-35.76	362.69	9.17	-26.59
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054382	0	40	0.0	-27.10	371.83	9.63	-17.47
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN=CS1	REAL300012054383	0	32	0.0	-31.82	310.39	7.01	-24.81
CN1C=NC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054384	0	36	0.0	-35.53	327.10	8.94	-26.59
COC(=O)C1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CN1C	REAL300012054385	0	43	0.0	-40.38	385.06	9.96	-30.42
CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1Cl	REAL300012054386	0	39	0.0	-30.79	362.42	10.91	-19.88
COC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC=C1C	REAL300012054387	0	43	0.0	-31.85	376.54	9.85	-22.00
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CSC=N1	REAL300012054388	0	32	0.0	-28.78	311.57	6.80	-21.98
CC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1F	REAL300012054389	0	39	0.0	-25.65	352.84	10.43	-15.22
N#CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(F)=C1	REAL300012054390	0	37	0.0	-39.83	353.36	10.21	-29.62
CC1=NNC(C)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054391	0	39	0.0	-32.74	345.33	7.27	-25.47
CC1=NNC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054392	0	36	0.0	-29.37	325.07	6.81	-22.56
CN1N=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054393	0	36	0.0	-29.00	325.22	7.26	-21.74
C#CCCOC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054394	0	45	0.0	-32.89	404.29	11.31	-21.58
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012054395	0	39	0.0	-36.39	353.93	10.27	-26.12
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])C=C12	REAL300012054396	0	44	0.0	-38.41	391.91	9.49	-28.92
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012054397	0	39	0.0	-27.49	362.09	8.99	-18.50
CCC1=NC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CS1	REAL300012054398	0	38	0.0	-27.95	355.01	8.27	-19.68
CC1=NN(C)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054399	0	39	0.0	-34.47	349.39	8.19	-26.28
CCN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=N1	REAL300012054400	0	39	0.0	-35.92	351.33	8.47	-27.45
CN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])N=N1	REAL300012054401	0	35	0.0	-32.01	323.76	6.31	-25.70
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054402	0	40	0.0	-32.95	361.51	6.54	-26.41
CN1C=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054403	0	36	0.0	-29.88	328.51	7.48	-22.40
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1CCCCCCC1	REAL300012054404	0	48	0.0	-31.51	369.62	10.98	-20.53
CC1=CSC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054405	0	35	0.0	-25.65	331.38	7.43	-18.22
COC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1F	REAL300012054406	0	40	0.0	-26.76	360.52	9.05	-17.71
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012054407	0	43	0.0	-28.28	371.15	11.64	-16.64
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=COC=N1	REAL300012054408	0	32	0.0	-34.65	302.37	4.37	-30.28
CCN1N=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054409	0	39	0.0	-27.90	343.35	8.25	-19.65
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012054410	0	42	0.0	-32.83	375.48	9.54	-23.29
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012054411	0	41	0.0	-35.75	367.96	10.28	-25.47
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])SC=N1	REAL300012054412	0	35	0.0	-29.59	330.87	7.53	-22.06
COC1=CC(F)=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054413	0	40	0.0	-32.74	361.58	9.13	-23.61
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=N1	REAL300012054414	0	46	0.0	-34.03	398.58	9.76	-24.27
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=CS1	REAL300012054415	0	36	0.0	-28.38	330.29	9.40	-18.98
CS(=O)C1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054416	0	41	0.0	-45.11	377.87	8.36	-36.75
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012054417	0	46	0.0	-27.68	388.33	12.22	-15.46
N#CC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054418	0	36	0.0	-40.68	342.90	8.23	-32.45
COC(=O)C1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CN1	REAL300012054419	0	40	0.0	-32.24	368.62	8.20	-24.04
COCC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])O1	REAL300012054420	0	40	0.0	-31.49	363.28	7.82	-23.67
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054421	0	38	0.0	-30.48	341.98	8.47	-22.01
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054422	0	43	0.0	-30.83	375.21	9.79	-21.04
CC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CS1	REAL300012054423	0	36	0.0	-31.13	338.82	9.56	-21.57
CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])N=N1	REAL300012054424	0	37	0.0	-29.99	337.15	7.47	-22.52
CN1N=NC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054425	0	35	0.0	-32.80	321.71	6.14	-26.66
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012054426	0	33	0.0	-28.91	334.06	9.39	-19.52
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012054427	0	49	0.0	-30.28	409.83	12.98	-17.30
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])N(C)N=C1	REAL300012054428	0	39	0.0	-30.26	347.87	7.96	-22.30
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054429	0	39	0.0	-30.65	365.12	10.97	-19.68
COCC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054430	0	43	0.0	-32.48	380.72	9.49	-22.99
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012054431	0	43	0.0	-25.53	384.51	11.42	-14.11
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012054432	0	43	0.0	-28.73	376.18	11.88	-16.85
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012054433	0	32	0.0	-25.85	326.65	7.45	-18.40
C=CN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=N1	REAL300012054434	0	37	0.0	-36.23	340.24	8.77	-27.46
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012054435	0	46	0.0	-27.89	389.92	10.18	-17.71
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012054436	0	39	0.0	-32.65	357.84	10.63	-22.02
COC1=CC(C)=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C)=N1	REAL300012054437	0	45	0.0	-28.49	384.71	7.41	-21.08
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054438	0	40	0.0	-26.37	369.17	9.54	-16.83
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054439	0	46	0.0	-26.90	387.75	10.27	-16.63
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=NN1C	REAL300012054440	0	39	0.0	-32.31	346.56	8.02	-24.29
CCCN1N=C(C)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1C	REAL300012054441	0	48	0.0	-28.55	412.16	10.17	-18.38
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012054442	0	41	0.0	-34.15	367.65	9.42	-24.73
COCCN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=N1	REAL300012054443	0	43	0.0	-33.44	385.00	7.52	-25.92
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012054444	0	46	0.0	-30.46	391.42	12.35	-18.11
CCOC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1F	REAL300012054445	0	43	0.0	-37.60	384.54	10.11	-27.49
N#CC1=CSC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054446	0	34	0.0	-33.54	338.22	9.29	-24.25
COC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC=C1C#N	REAL300012054447	0	41	0.0	-39.21	375.35	9.48	-29.73
CC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC=C1C#N	REAL300012054448	0	40	0.0	-36.77	365.64	10.66	-26.11
CC1=CN=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054449	0	35	0.0	-26.53	333.66	7.70	-18.83
CC(C)CN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=N1	REAL300012054450	0	45	0.0	-35.43	392.64	10.01	-25.42
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012054451	0	43	0.0	-28.85	364.43	11.63	-17.22
CCC1=CN=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054452	0	38	0.0	-32.12	353.82	8.49	-23.63
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054453	0	45	0.0	-33.43	389.61	9.58	-23.85
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012054454	0	39	0.0	-29.88	364.87	9.40	-20.48
CC(C)C1=NC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054455	0	41	0.0	-31.28	375.93	9.12	-22.16
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012054456	0	39	0.0	-36.16	364.32	8.76	-27.40
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])N1	REAL300012054457	0	44	0.0	-37.37	382.43	7.85	-29.52
NC(=O)C1=CSC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054458	0	37	0.0	-32.93	351.98	5.60	-27.33
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054459	0	48	0.0	-28.28	411.83	9.99	-18.29
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012054460	0	42	0.0	-31.25	381.54	9.92	-21.33
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054461	0	42	0.0	-31.22	367.50	10.99	-20.23
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012054462	0	36	0.0	-30.87	342.43	7.65	-23.22
CC(C)C1=CN=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054463	0	41	0.0	-26.04	375.09	9.06	-16.98
CC(C)(C)C1=CN=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054464	0	44	0.0	-32.21	393.29	9.59	-22.62
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012054465	0	39	0.0	-30.66	361.50	9.22	-21.44
COCCCN1N=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054466	0	46	0.0	-29.44	382.00	8.16	-21.28
CC1=CC(F)=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(Cl)=C1	REAL300012054467	0	39	0.0	-28.76	366.40	10.86	-17.90
CSCC1=CN=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054468	0	39	0.0	-34.38	378.38	8.96	-25.42
CCN1N=C(C)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054469	0	41	0.0	-32.00	363.95	7.28	-24.72
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012054470	0	43	0.0	-30.89	374.85	11.86	-19.03
CC1=NN(C)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054471	0	39	0.0	-30.05	349.54	7.92	-22.13
N#CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1F	REAL300012054472	0	37	0.0	-41.73	353.71	10.24	-31.49
CC1=CC(F)=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(F)=C1	REAL300012054473	0	39	0.0	-27.21	357.67	10.45	-16.76
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054474	0	45	0.0	-28.08	388.79	9.74	-18.34
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CN1	REAL300012054475	0	43	0.0	-38.38	382.66	8.76	-29.62
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054476	0	46	0.0	-38.22	402.28	11.72	-26.50
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054477	0	45	0.0	-28.36	375.29	11.43	-16.93
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012054478	0	43	0.0	-29.53	371.55	9.13	-20.40
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012054479	0	42	0.0	-31.76	377.29	9.44	-22.32
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012054480	0	38	0.0	-32.40	349.57	8.60	-23.80
CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(Cl)=C1	REAL300012054481	0	39	0.0	-30.18	357.55	10.81	-19.37
CCC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054482	0	42	0.0	-30.57	368.52	11.20	-19.37
COC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(F)=C1	REAL300012054483	0	40	0.0	-35.14	360.72	9.07	-26.07
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012054484	0	43	0.0	-29.93	371.17	11.63	-18.30
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054485	0	40	0.0	-28.95	360.43	9.15	-19.80
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012054486	0	38	0.0	-33.42	359.08	9.51	-23.91
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012054487	0	40	0.0	-32.79	353.43	8.41	-24.38
CCC1=C2OC(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])=CC2=CC=C1	REAL300012054488	0	45	0.0	-30.34	397.74	11.76	-18.58
C=CCCN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])N=N1	REAL300012054489	0	42	0.0	-31.21	379.49	8.46	-22.75
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012054490	0	43	0.0	-30.19	379.88	9.76	-20.43
CCOC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C)=C1	REAL300012054491	0	46	0.0	-27.47	390.98	10.53	-16.94
COC1=NC=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054492	0	39	0.0	-25.86	351.42	6.50	-19.36
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012054493	0	49	0.0	-27.44	409.86	12.93	-14.51
COCC1=CSC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054494	0	40	0.0	-29.47	371.16	8.56	-20.91
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012054495	0	42	0.0	-29.72	367.82	8.24	-21.48
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012054496	0	36	0.0	-34.26	348.87	9.13	-25.13
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012054497	0	36	0.0	-27.99	352.17	10.26	-17.73
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012054498	0	36	0.0	-30.88	344.09	9.98	-20.90
CCCN1N=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054499	0	42	0.0	-29.82	361.46	8.94	-20.88
CCCC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054500	0	42	0.0	-29.01	382.05	11.23	-17.78
CC(C)C1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054501	0	45	0.0	-28.07	387.18	11.69	-16.38
CN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(Cl)=N1	REAL300012054502	0	36	0.0	-33.37	344.29	7.92	-25.45
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012054503	0	49	0.0	-30.23	416.69	13.27	-16.96
COC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC=C1Cl	REAL300012054504	0	40	0.0	-34.37	372.49	9.66	-24.71
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012054505	0	46	0.0	-30.04	392.67	10.14	-19.90
CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(F)=C1	REAL300012054506	0	39	0.0	-33.15	352.64	10.47	-22.68
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054507	0	43	0.0	-36.00	381.73	8.63	-27.37
CN1N=CC2=CC(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])=CN=C21	REAL300012054508	0	41	0.0	-38.93	371.29	8.94	-29.99
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054509	0	46	0.0	-30.66	388.89	9.73	-20.93
CC1=C(C)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CS1	REAL300012054510	0	39	0.0	-26.59	352.22	10.06	-16.53
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012054511	0	35	0.0	-34.29	344.55	8.46	-25.83
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012054512	0	42	0.0	-31.34	368.08	11.82	-19.52
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054513	0	43	0.0	-30.49	384.73	10.06	-20.43
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054514	0	39	0.0	-27.29	355.82	10.81	-16.48
COC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C(F)C=C1C	REAL300012054515	0	43	0.0	-27.68	379.74	9.84	-17.84
CC(C)(C)C1=CSC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054516	0	44	0.0	-26.08	392.53	9.48	-16.60
COCCC1=NC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054517	0	42	0.0	-32.13	387.49	7.54	-24.59
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012054518	1	37	0.0	-32.77	349.17	7.16	-25.61
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012054519	0	44	0.0	-29.96	373.05	9.78	-20.18
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012054520	0	38	0.0	-41.90	353.40	10.32	-31.58
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012054521	0	41	0.0	-30.79	363.07	10.01	-20.78
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012054522	0	40	0.0	-38.09	363.00	8.21	-29.88
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054523	0	43	0.0	-27.17	382.29	10.08	-17.09
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012054524	0	41	0.0	-31.51	363.27	10.85	-20.66
CC1=COC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054525	0	36	0.0	-29.75	328.29	8.58	-21.17
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012054526	0	35	0.0	-28.22	337.38	8.42	-19.80
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054527	0	43	0.0	-30.90	380.63	11.20	-19.70
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012054529	0	39	0.0	-36.83	357.92	8.61	-28.22
CCCC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054531	0	45	0.0	-30.37	390.04	11.98	-18.39
CC1=C2C=C(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])C=NC2=NN1	REAL300012054532	0	41	0.0	-38.99	368.70	8.29	-30.70
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NC=CS1	REAL300012054533	0	32	0.0	-32.88	310.42	6.91	-25.97
CN1N=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012054534	0	42	0.0	-26.81	374.75	9.61	-17.20
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012054535	0	39	0.0	-33.59	352.55	8.38	-25.21
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012054535	1	39	0.0	-28.86	352.73	8.39	-20.47
CCC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054536	0	39	0.0	-29.00	360.55	10.49	-18.51
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012054537	0	41	0.0	-32.57	363.37	10.05	-22.52
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012054538	0	42	0.0	-32.14	372.12	10.70	-21.44
CCC1=NC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])S1	REAL300012054539	0	38	0.0	-28.96	352.98	8.40	-20.56
COC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])SC=C1	REAL300012054540	0	37	0.0	-26.00	345.76	8.15	-17.85
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012054541	0	42	0.0	-34.43	381.82	7.96	-26.47
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CSC=C1Cl	REAL300012054542	0	33	0.0	-24.74	331.60	9.17	-15.57
CCCC(C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012054543	0	48	0.0	-34.06	404.25	12.43	-21.63
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1CC2CCC1C2	REAL300012054544	0	43	0.0	-28.03	350.93	10.35	-17.68
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(F)N=C1	REAL300012054545	0	35	0.0	-35.09	328.22	7.96	-27.13
CC1(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])CCC1	REAL300012054546	0	39	0.0	-31.32	330.80	9.47	-21.85
CC1(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])CC1	REAL300012054547	0	36	0.0	-27.63	314.07	9.08	-18.55
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1(C(F)F)CC1	REAL300012054548	0	36	0.0	-27.03	328.15	9.14	-17.89
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])NN=C1	REAL300012054549	0	36	0.0	-30.31	326.02	6.80	-23.51
CC1=CNN=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054549	1	36	0.0	-29.02	325.61	6.76	-22.26
CC1=CN=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])N1C	REAL300012054550	0	39	0.0	-27.53	344.88	8.58	-18.95
CC(C)C1CCC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])CC1	REAL300012054551	0	51	0.0	-28.86	392.55	11.44	-17.42
CCC1=NOC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054552	0	38	0.0	-34.75	344.32	8.58	-26.17
CN1N=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1Cl	REAL300012054553	0	36	0.0	-31.61	345.61	7.94	-23.67
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012054554	0	38	0.0	-32.61	348.29	7.24	-25.37
CC1=CN=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054555	0	38	0.0	-31.52	334.04	8.56	-22.96
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012054556	0	43	0.0	-32.54	373.97	11.84	-20.70
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012054557	0	42	0.0	-28.11	377.82	10.45	-17.66
CC(C)N1C=CN=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054559	0	42	0.0	-27.32	367.76	9.63	-17.69
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054560	0	43	0.0	-29.50	375.37	9.37	-20.13
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054561	0	46	0.0	-29.69	394.05	9.92	-19.77
CC1=NC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])N1C	REAL300012054562	0	39	0.0	-28.97	346.18	8.69	-20.28
CC1=C2C=C(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])NC2=CC=C1	REAL300012054563	0	43	0.0	-31.94	378.50	10.35	-21.59
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012054564	0	42	0.0	-30.81	378.23	8.94	-21.87
CC1=CC=C2C=C(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])NC2=C1	REAL300012054565	0	43	0.0	-32.37	380.23	10.41	-21.96
CC1=NC=CN=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054566	0	37	0.0	-33.87	332.61	6.57	-27.30
CCOC1=CN=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054567	0	42	0.0	-33.29	371.92	8.17	-25.12
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012054568	0	35	0.0	-29.90	331.13	8.39	-21.51
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012054569	0	39	0.0	-33.64	353.08	8.51	-25.13
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054570	0	44	0.0	-36.08	365.15	10.14	-25.94
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=NC(F)=C1	REAL300012054571	0	35	0.0	-34.41	326.94	7.94	-26.47
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012054572	0	40	0.0	-32.81	358.32	9.82	-22.99
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012054573	0	39	0.0	-40.88	358.25	7.25	-33.63
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012054574	0	38	0.0	-34.80	356.37	8.88	-25.92
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054575	0	45	0.0	-29.64	394.28	10.05	-19.59
COC1=CN=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1C	REAL300012054576	0	42	0.0	-29.86	365.46	7.93	-21.93
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C)=C1	REAL300012054577	0	49	0.0	-33.15	415.66	12.90	-20.25
CCCN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])N=N1	REAL300012054578	0	41	0.0	-30.73	365.36	7.88	-22.85
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054579	0	44	0.0	-25.37	379.35	9.67	-15.70
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012054580	0	40	0.0	-29.15	358.33	10.45	-18.70
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012054581	0	41	0.0	-41.16	374.40	10.24	-30.92
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1C	REAL300012054582	0	49	0.0	-34.60	413.90	12.82	-21.78
CC1=NSC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054583	0	35	0.0	-31.42	333.51	8.21	-23.21
CCN1N=CN=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054584	0	38	0.0	-28.63	342.72	8.86	-19.77
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012054585	0	39	0.0	-30.83	354.36	7.05	-23.78
CCC1=CNC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054586	0	39	0.0	-29.73	349.73	7.87	-21.86
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012054587	0	45	0.0	-29.98	378.59	10.23	-19.75
CC1=NN(C)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1Cl	REAL300012054588	0	39	0.0	-30.80	364.72	8.38	-22.42
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012054589	0	44	0.0	-29.99	380.66	10.40	-19.59
CCC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(Cl)=NN1	REAL300012054590	0	39	0.0	-32.32	358.50	7.95	-24.37
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012054591	0	40	0.0	-25.08	372.00	8.68	-16.40
CCC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C)=NO1	REAL300012054592	0	41	0.0	-32.01	361.68	9.38	-22.63
CCN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])N=N1	REAL300012054593	0	38	0.0	-31.67	345.18	7.14	-24.53
CC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012054594	0	48	0.0	-30.35	395.81	10.88	-19.47
CCOC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])O1	REAL300012054595	0	40	0.0	-30.20	362.57	9.32	-20.88
CCN1C=NC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054596	0	39	0.0	-29.66	350.84	9.97	-19.69
CC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CN=C1F	REAL300012054597	0	38	0.0	-32.12	347.28	8.51	-23.61
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054598	0	38	0.0	-32.01	342.15	8.51	-23.50
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012054599	0	39	0.0	-41.07	366.39	10.78	-30.29
COC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C)=C1	REAL300012054600	0	43	0.0	-27.66	369.09	9.59	-18.07
CC1CC2=CC(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])=CC=C2O1	REAL300012054601	0	44	0.0	-33.06	383.87	10.38	-22.68
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012054602	0	39	0.0	-44.69	358.71	7.30	-37.39
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012054603	0	41	0.0	-33.69	362.70	9.63	-24.06
CSCC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054604	0	43	0.0	-32.46	391.78	11.65	-20.81
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012054605	0	46	0.0	-35.17	397.88	10.51	-24.66
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054606	0	44	0.0	-31.94	382.25	7.41	-24.53
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054607	0	43	0.0	-31.19	371.37	9.21	-21.98
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012054608	0	43	0.0	-28.57	375.74	9.57	-19.00
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012054609	0	43	0.0	-31.48	373.80	9.55	-21.93
COC1=CC=C(C)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054610	0	43	0.0	-29.76	371.28	9.67	-20.09
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])=C21	REAL300012054611	0	42	0.0	-31.43	365.36	11.01	-20.42
CCC1=CC=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054612	0	42	0.0	-28.10	355.61	10.92	-17.18
CC1=CC(F)=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054613	0	39	0.0	-31.26	354.80	10.54	-20.72
CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C)=C1C	REAL300012054614	0	45	0.0	-27.13	376.48	11.49	-15.64
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054615	0	48	0.0	-25.12	364.37	11.46	-13.66
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012054616	0	46	0.0	-27.67	380.82	10.08	-17.59
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012054617	0	39	0.0	-30.39	355.10	9.37	-21.02
CCN1CCC2=CC(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])=CC=C21	REAL300012054618	0	48	0.0	-31.80	406.28	10.43	-21.37
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=NN1C(C)C	REAL300012054619	0	45	0.0	-30.81	388.74	9.64	-21.17
CC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012054620	0	46	0.0	-30.87	393.99	12.42	-18.45
CCOC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC=N1	REAL300012054621	0	42	0.0	-32.50	375.90	7.45	-25.05
CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1C1CC1	REAL300012054622	0	46	0.0	-28.01	393.99	12.39	-15.62
COC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])O1	REAL300012054623	0	37	0.0	-30.04	339.40	8.34	-21.70
COCCOC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])O1	REAL300012054624	0	44	0.0	-31.97	394.87	8.51	-23.46
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054625	0	48	0.0	-33.29	410.43	10.11	-23.18
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012054626	0	39	0.0	-30.35	356.63	8.48	-21.87
CCN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C)=N1	REAL300012054627	0	42	0.0	-33.63	368.96	9.00	-24.63
CN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012054628	0	43	0.0	-33.69	379.61	9.71	-23.98
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054629	0	43	0.0	-29.93	379.28	9.43	-20.50
CC(C)C1=NOC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054630	0	41	0.0	-34.16	362.96	9.03	-25.13
COC1=NC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1F	REAL300012054631	0	39	0.0	-28.39	359.62	6.52	-21.87
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012054632	0	36	0.0	-37.19	343.02	9.69	-27.50
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012054633	0	48	0.0	-28.60	408.38	11.26	-17.34
CC1=C(C)SC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054634	0	38	0.0	-32.53	351.11	8.21	-24.32
CC1OC2=CC=C(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])C=C2C1C	REAL300012054635	0	47	0.0	-33.03	399.02	10.87	-22.16
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CSN=C1	REAL300012054636	0	32	0.0	-31.10	311.47	7.41	-23.69
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054637	0	48	0.0	-28.48	393.17	12.10	-16.38
CC(C)CN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])N=N1	REAL300012054638	0	44	0.0	-30.61	385.15	8.62	-21.99
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012054639	0	39	0.0	-33.71	362.79	9.03	-24.68
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012054640	0	36	0.0	-32.36	345.87	7.03	-25.33
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012054641	0	41	0.0	-28.88	361.49	9.57	-19.31
CN1C=C(Cl)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054642	0	36	0.0	-29.61	346.40	7.97	-21.64
CSC1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054643	0	40	0.0	-28.36	367.18	10.78	-17.58
CC(C)C1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])N(C)N=C1	REAL300012054644	0	45	0.0	-29.72	389.12	9.26	-20.46
CC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC(C)=N1	REAL300012054645	0	41	0.0	-33.46	365.08	9.26	-24.20
CCCN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C)=N1	REAL300012054646	0	45	0.0	-33.29	390.46	9.76	-23.53
CCN1C=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054647	0	39	0.0	-30.13	351.36	8.38	-21.75
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012054648	0	38	0.0	-34.25	349.59	8.52	-25.73
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012054650	0	43	0.0	-29.18	392.16	12.02	-17.16
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012054651	0	44	0.0	-32.11	386.20	10.73	-21.38
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054652	0	43	0.0	-32.95	383.44	8.04	-24.91
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012054653	0	43	0.0	-30.78	374.08	8.67	-22.11
CCCN1C=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054654	0	42	0.0	-29.85	372.86	9.14	-20.71
CC(C)N1C=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054655	0	42	0.0	-32.07	370.05	8.86	-23.21
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054656	0	47	0.0	-33.25	398.36	10.30	-22.95
CN1C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=NC2=C1CCCC2	REAL300012054657	0	46	0.0	-36.19	388.35	10.43	-25.76
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054658	0	39	0.0	-35.54	369.60	7.00	-28.54
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012054659	0	39	0.0	-26.98	361.46	10.59	-16.39
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012054660	0	44	0.0	-31.72	369.84	9.71	-22.01
COC1=NN(C)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054661	0	40	0.0	-37.36	361.37	5.50	-31.86
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012054662	0	40	0.0	-33.62	365.06	7.10	-26.52
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012054663	0	43	0.0	-29.10	369.92	10.59	-18.51
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012054664	0	38	0.0	-34.00	360.26	10.47	-23.53
COC1=CC(C)=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=N1	REAL300012054666	0	42	0.0	-30.14	367.92	7.04	-23.10
COC1=CC(C)=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1O	REAL300012054667	0	44	0.0	-31.64	380.65	7.47	-24.17
COC1=NC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC=C1C	REAL300012054668	0	42	0.0	-33.23	374.26	7.15	-26.08
CCCN1C=NC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054669	0	42	0.0	-27.18	363.91	10.62	-16.56
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CNC1=O	REAL300012054670	0	36	0.0	-32.29	329.26	6.68	-25.61
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012054671	0	43	0.0	-40.35	384.09	9.75	-30.60
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012054672	0	49	0.0	-30.95	418.10	13.33	-17.62
CCC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=NN1CC	REAL300012054673	0	45	0.0	-29.34	384.68	9.67	-19.67
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012054674	0	36	0.0	-29.14	352.44	10.27	-18.87
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012054675	0	40	0.0	-30.33	356.42	8.15	-22.18
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012054676	0	40	0.0	-32.92	370.66	9.33	-23.59
COC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=CS1	REAL300012054677	0	37	0.0	-25.18	347.18	8.15	-17.03
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054678	0	42	0.0	-28.76	378.85	11.25	-17.51
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=N1	REAL300012054679	0	43	0.0	-32.64	383.22	7.31	-25.33
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012054680	0	36	0.0	-33.27	344.16	9.96	-23.31
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054681	0	45	0.0	-32.75	387.60	8.59	-24.16
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054682	0	43	0.0	-26.58	374.09	11.63	-14.95
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012054683	0	40	0.0	-34.82	358.00	11.10	-23.72
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012054684	0	39	0.0	-30.45	351.09	7.70	-22.75
COCC1=CC=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054685	0	43	0.0	-30.24	372.84	9.65	-20.59
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012054686	0	44	0.0	-32.35	380.67	9.89	-22.46
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012054687	0	40	0.0	-36.36	361.43	5.07	-31.29
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012054688	0	42	0.0	-34.68	380.26	7.89	-26.79
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012054689	0	39	0.0	-37.39	351.70	9.30	-28.09
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054690	0	43	0.0	-34.66	381.92	8.01	-26.65
C=CC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054691	0	40	0.0	-31.57	358.10	10.90	-20.67
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054692	0	42	0.0	-35.50	366.17	11.28	-24.22
CCN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012054693	0	46	0.0	-33.92	403.15	10.65	-23.27
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054694	0	44	0.0	-34.03	373.30	9.48	-24.55
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012054695	0	41	0.0	-34.70	366.64	10.24	-24.46
CC1=CC2=CC=CC(C[NH2+]C(CC3=CSC(C(F)(F)F)=C3)C(=O)[O-])=C2O1	REAL300012054696	0	42	0.0	-34.66	376.19	10.95	-23.71
COC1=CSC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1OC	REAL300012054697	0	41	0.0	-31.46	378.43	7.80	-23.66
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012054698	0	42	0.0	-33.90	369.69	9.82	-24.08
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054699	0	39	0.0	-42.35	370.78	5.39	-36.96
CCN1C=C(Cl)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054700	0	39	0.0	-30.38	367.93	8.87	-21.51
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012054701	0	36	0.0	-29.36	352.23	10.36	-19.00
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012054702	0	39	0.0	-28.95	357.82	10.59	-18.36
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012054703	0	42	0.0	-25.92	376.16	11.98	-13.94
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012054704	0	33	0.0	-32.94	332.66	9.32	-23.62
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012054705	0	46	0.0	-30.81	392.51	10.17	-20.64
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012054706	0	39	0.0	-33.23	356.42	8.58	-24.65
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012054707	0	35	0.0	-28.30	341.48	8.38	-19.92
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054708	0	43	0.0	-28.11	380.79	7.86	-20.25
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012054709	0	43	0.0	-29.18	375.18	9.48	-19.70
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012054710	0	39	0.0	-32.51	364.36	8.67	-23.84
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012054711	0	40	0.0	-36.48	372.88	9.20	-27.28
CC1=CN(C)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054712	0	39	0.0	-34.76	348.53	8.73	-26.03
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012054713	0	46	0.0	-30.57	390.57	10.04	-20.53
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012054714	0	35	0.0	-27.01	349.75	8.79	-18.22
CC1=NSC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054715	0	35	0.0	-29.79	327.86	7.97	-21.82
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012054716	0	39	0.0	-36.68	349.98	10.76	-25.92
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012054717	0	39	0.0	-39.53	353.21	8.51	-31.02
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012054718	0	36	0.0	-29.43	352.66	10.37	-19.06
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054719	0	39	0.0	-27.73	347.07	10.40	-17.33
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054720	0	41	0.0	-30.07	375.41	9.53	-20.54
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054721	0	38	0.0	-30.17	353.76	8.99	-21.18
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054722	0	40	0.0	-32.50	373.22	9.62	-22.88
COC1=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC(F)=C1F	REAL300012054723	0	40	0.0	-34.06	368.98	9.20	-24.86
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054724	0	42	0.0	-27.29	370.89	7.92	-19.37
CC(C)N1C=NC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054725	0	42	0.0	-28.80	370.45	10.36	-18.44
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054726	0	43	0.0	-28.41	383.68	7.16	-21.25
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012054727	0	42	0.0	-29.92	374.82	10.16	-19.76
CC(C)OC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])O1	REAL300012054728	0	43	0.0	-30.12	382.87	10.03	-20.09
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054729	0	37	0.0	-35.06	354.23	10.22	-24.84
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054730	0	44	0.0	-36.77	385.08	10.42	-26.35
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054731	0	46	0.0	-29.21	394.77	10.13	-19.08
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012054732	0	42	0.0	-32.41	378.89	9.14	-23.27
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054733	0	43	0.0	-31.67	390.27	9.03	-22.64
COC1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C)=N1	REAL300012054734	0	42	0.0	-29.78	369.07	7.05	-22.73
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=NS1	REAL300012054735	0	35	0.0	-30.00	327.56	8.11	-21.89
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=NO1	REAL300012054736	0	35	0.0	-32.61	322.18	8.02	-24.59
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012054737	0	39	0.0	-33.44	354.96	10.63	-22.81
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012054738	0	39	0.0	-29.90	362.56	11.10	-18.80
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC=C1CO	REAL300012054739	0	40	0.0	-30.19	348.34	7.18	-23.01
CC1=NSC(C)=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054740	0	38	0.0	-29.68	349.52	8.61	-21.07
CC(C)(C)C1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=NO1	REAL300012054741	0	44	0.0	-28.37	364.65	9.58	-18.79
C=CCN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=N1	REAL300012054742	0	40	0.0	-32.90	364.13	9.02	-23.88
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012054743	0	39	0.0	-38.78	353.23	8.51	-30.27
CCC(C)C1=CC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300012054744	0	48	0.0	-30.33	404.33	12.35	-17.98
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=N1	REAL300012054745	0	41	0.0	-29.65	374.74	9.71	-19.94
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012054746	0	46	0.0	-27.02	382.31	12.13	-14.89
O=C([O-])C(CC1=CSC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012054747	0	42	0.0	-43.07	379.35	9.72	-33.35
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012054748	0	45	0.0	-27.80	381.77	12.42	-15.38
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054749	0	44	0.0	-26.85	386.52	9.14	-17.71
CC1=NC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C(C)S1	REAL300012054750	0	38	0.0	-24.75	352.43	8.18	-16.57
CCCN1N=CC(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1C	REAL300012054751	0	45	0.0	-30.56	387.66	9.63	-20.93
CC1=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012054752	0	44	0.0	-31.35	382.70	10.85	-20.50
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012054753	0	43	0.0	-40.92	387.57	9.88	-31.04
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012054754	0	45	0.0	-27.45	386.79	9.59	-17.86
CN1C=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012054755	0	46	0.0	-33.06	395.02	10.13	-22.93
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])O1	REAL300012054756	0	44	0.0	-31.05	386.16	7.29	-23.76
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300012054757	0	46	0.0	-36.40	367.59	10.29	-26.11
CC1=CC=C(C)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012054758	0	46	0.0	-35.95	367.04	10.25	-25.70
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012054759	0	45	0.0	-43.56	371.92	9.33	-34.23
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1CC2C=CC1C2	REAL300012054760	0	45	0.0	-37.76	348.01	9.51	-28.25
CC(C)(C)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012054761	0	52	0.0	-37.92	408.81	11.39	-26.53
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012054762	0	47	0.0	-39.88	387.80	8.89	-30.99
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054764	0	50	0.0	-39.32	409.28	10.77	-28.55
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012054765	0	48	0.0	-41.05	399.30	8.45	-32.60
CCOC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1OC	REAL300012054766	0	51	0.0	-42.65	413.21	9.19	-33.46
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012054767	0	54	0.0	-33.60	441.24	12.36	-21.24
CCCCCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012054768	0	56	0.0	-38.46	447.24	11.59	-26.87
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012054769	1	49	0.0	-53.10	421.05	11.63	-41.47
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012054770	1	49	0.0	-47.13	419.22	11.54	-35.59
CC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012054771	0	46	0.0	-36.84	364.44	10.22	-26.62
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012054772	0	46	0.0	-36.93	369.21	10.17	-26.76
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1Br	REAL300012054773	0	44	0.0	-37.79	380.72	8.93	-28.86
CC(C)OC1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054774	0	50	0.0	-32.98	399.28	9.93	-23.05
CCCCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300012054775	0	57	0.0	-39.97	454.40	10.67	-29.30
CCCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300012054776	0	54	0.0	-41.41	432.90	9.89	-31.52
C=CCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300012054777	0	52	0.0	-41.93	424.30	9.67	-32.26
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012054778	1	47	0.0	-43.16	409.58	11.48	-31.68
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012054779	1	47	0.0	-44.05	407.90	11.42	-32.63
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012054780	0	50	0.0	-44.33	415.04	10.64	-33.69
CCC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012054781	1	49	0.0	-33.82	395.91	10.92	-22.90
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012054784	0	44	0.0	-32.18	375.97	8.87	-23.31
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012054785	0	44	0.0	-41.73	389.00	10.53	-31.20
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012054786	0	47	0.0	-32.96	392.61	6.76	-26.20
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(Cl)=C1	REAL300012054787	0	44	0.0	-32.64	374.78	8.80	-23.84
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012054788	0	44	0.0	-40.39	376.80	8.77	-31.62
N#CC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012054789	0	41	0.0	-41.32	353.46	9.45	-31.87
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012054790	0	47	0.0	-41.02	390.05	8.80	-32.22
CC1=CC=C(C2=NNC=C2C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012054791	0	50	0.0	-40.00	409.21	9.56	-30.44
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012054792	1	44	0.0	-32.72	376.34	8.19	-24.53
COC1=CC=C(C2=NNC=C2C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012054793	0	51	0.0	-40.64	417.27	8.19	-32.45
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012054794	0	43	0.0	-37.06	368.29	10.38	-26.68
CCOC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012054795	0	59	0.0	-34.82	458.77	9.16	-25.66
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012054796	0	46	0.0	-39.42	376.84	9.46	-29.96
CC1=CC=C(C2=CC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])O2)C=C1	REAL300012054797	1	50	0.0	-43.17	414.25	11.63	-31.54
CC1=CC=C(C2=NNC=C2C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])O1	REAL300012054798	0	47	0.0	-34.27	393.67	8.19	-26.08
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012054799	0	46	0.0	-36.62	383.55	7.16	-29.46
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012054800	0	55	0.0	-40.35	439.71	9.61	-30.74
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012054801	1	37	0.0	-40.30	338.66	8.72	-31.58
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012054802	0	47	0.0	-41.96	406.86	11.92	-30.04
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012054803	0	45	0.0	-32.91	371.22	9.52	-23.39
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012054804	0	53	0.0	-36.00	435.22	10.72	-25.28
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054805	0	49	0.0	-43.32	402.26	8.01	-35.31
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012054806	0	47	0.0	-41.35	389.74	10.21	-31.14
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012054807	0	46	0.0	-42.98	384.68	11.53	-31.45
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012054808	0	47	0.0	-40.10	409.81	12.02	-28.08
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012054810	0	40	0.0	-35.83	344.58	9.16	-26.67
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012054811	0	43	0.0	-36.85	380.02	10.43	-26.42
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012054812	0	40	0.0	-32.12	350.49	9.51	-22.61
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012054813	0	40	0.0	-43.94	355.20	9.63	-34.31
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012054814	0	43	0.0	-45.54	375.11	10.02	-35.52
CCOC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012054815	0	47	0.0	-36.24	382.15	9.20	-27.04
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300012054816	0	43	0.0	-37.08	358.11	9.71	-27.37
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012054817	0	40	0.0	-33.52	362.03	10.02	-23.50
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012054818	0	43	0.0	-44.13	367.58	10.20	-33.93
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012054819	0	40	0.0	-43.34	349.81	9.16	-34.18
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012054820	0	43	0.0	-41.94	378.07	10.15	-31.79
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012054821	0	43	0.0	-40.04	374.96	10.07	-29.97
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(Cl)=C1OC	REAL300012054822	0	48	0.0	-33.55	405.99	8.78	-24.77
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012054823	0	43	0.0	-40.94	368.77	10.54	-30.40
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012054824	0	40	0.0	-44.23	355.20	9.64	-34.59
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012054825	0	44	0.0	-37.98	387.22	9.22	-28.76
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012054826	0	50	0.0	-38.28	414.68	7.59	-30.69
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012054827	0	39	0.0	-42.82	338.49	7.67	-35.15
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012054828	0	53	0.0	-42.07	438.75	10.58	-31.49
CC(C)C1=NN(C)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054829	0	49	0.0	-37.49	396.61	8.64	-28.85
COCCOC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012054831	0	51	0.0	-38.03	415.78	8.47	-29.56
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300012054832	0	44	0.0	-38.09	376.33	8.82	-29.27
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012054835	0	47	0.0	-39.25	403.53	9.76	-29.49
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012054836	0	46	0.0	-34.33	373.72	8.19	-26.14
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012054837	0	49	0.0	-36.90	392.40	9.09	-27.81
CCCOC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012054839	0	50	0.0	-36.88	405.46	10.09	-26.79
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012054840	0	47	0.0	-39.74	398.65	11.65	-28.09
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012054841	0	54	0.0	-35.93	424.89	11.17	-24.76
CC(C)OC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012054842	0	50	0.0	-36.89	401.88	9.92	-26.97
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012054848	0	47	0.0	-43.58	405.65	11.85	-31.73
CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054849	0	54	0.0	-38.14	438.17	9.87	-28.27
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012054850	0	54	0.0	-32.88	424.08	11.25	-21.63
CC1=CC=C(C2=CC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])S2)C=C1	REAL300012054851	0	50	0.0	-41.14	421.85	12.53	-28.61
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012054852	0	46	0.0	-44.44	397.49	9.30	-35.14
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054853	0	44	0.0	-33.45	393.64	9.44	-24.01
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012054854	0	40	0.0	-33.55	366.60	10.13	-23.42
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012054855	0	40	0.0	-32.74	365.62	10.12	-22.62
CCOC1=C(OC)C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300012054856	0	55	0.0	-43.08	446.37	9.13	-33.95
COCCCOC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012054857	0	54	0.0	-38.62	439.13	9.17	-29.45
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CN=C1Cl	REAL300012054858	0	42	0.0	-40.23	363.11	8.30	-31.93
COC1=CC=C(OC(F)F)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012054859	0	48	0.0	-38.75	399.97	7.98	-30.77
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012054860	0	44	0.0	-35.61	380.89	8.95	-26.66
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012054861	0	53	0.0	-42.23	435.77	10.76	-31.47
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])S2)C=C1	REAL300012054862	1	49	0.0	-39.79	417.82	10.70	-29.09
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012054863	0	45	0.0	-34.22	387.90	10.04	-24.18
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012054864	0	45	0.0	-33.35	376.83	9.56	-23.79
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012054865	0	45	0.0	-34.79	377.60	9.60	-25.19
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012054866	0	45	0.0	-32.94	385.67	9.95	-22.99
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])O1	REAL300012054868	1	50	0.0	-43.00	419.76	11.71	-31.29
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])O2)C=C1	REAL300012054869	1	53	0.0	-42.04	433.92	12.30	-29.74
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(OC(F)F)=C1	REAL300012054870	0	48	0.0	-37.49	398.75	7.93	-29.56
COC1=CC=C2OC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=CC2=C1	REAL300012054871	1	47	0.0	-43.81	389.96	8.88	-34.93
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012054872	0	44	0.0	-39.59	378.57	10.78	-28.81
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012054873	1	46	0.0	-40.86	379.66	10.14	-30.72
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012054874	1	43	0.0	-36.89	358.71	9.34	-27.55
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1Br	REAL300012054876	0	43	0.0	-36.87	372.10	10.25	-26.62
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012054878	0	44	0.0	-39.68	373.76	10.36	-29.32
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1Br	REAL300012054879	0	43	0.0	-38.38	370.29	10.16	-28.22
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012054882	0	45	0.0	-34.78	383.88	9.36	-25.42
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012054883	0	44	0.0	-43.98	369.78	9.02	-34.96
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012054884	0	44	0.0	-40.84	369.68	9.02	-31.82
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012054886	0	48	0.0	-41.07	393.84	10.25	-30.82
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1Cl	REAL300012054887	0	43	0.0	-38.52	366.26	10.07	-28.45
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012054888	1	42	0.0	-41.44	364.48	8.55	-32.89
CCCC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012054889	0	49	0.0	-38.09	396.99	11.28	-26.81
CCN(CC)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300012054890	0	54	0.0	-43.48	433.08	10.24	-33.24
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C(SC)C=C1OC	REAL300012054891	0	52	0.0	-35.81	426.91	9.21	-26.60
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1C#N	REAL300012054894	0	45	0.0	-43.47	382.32	8.78	-34.69
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012054895	0	44	0.0	-41.56	381.21	10.27	-31.29
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054896	0	46	0.0	-34.85	378.64	10.46	-24.39
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012054897	0	44	0.0	-44.31	378.09	8.72	-35.59
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054899	0	46	0.0	-38.64	385.25	10.65	-27.99
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012054900	0	48	0.0	-43.74	411.31	8.90	-34.84
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OCC(C)C	REAL300012054901	0	57	0.0	-42.15	454.81	10.67	-31.48
CCCOC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1OC	REAL300012054902	0	54	0.0	-41.48	432.89	9.89	-31.59
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)S1	REAL300012054903	1	37	0.0	-40.32	343.29	8.83	-31.49
CCOC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012054904	0	51	0.0	-43.50	433.17	9.83	-33.67
C=CCOC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012054905	0	48	0.0	-36.24	395.05	9.78	-26.46
COC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1OC(C)C	REAL300012054906	0	54	0.0	-32.38	429.41	10.04	-22.34
CCOC1=C(Cl)C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300012054907	0	51	0.0	-43.10	431.95	9.79	-33.31
CCCOC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=CC=C1OCC	REAL300012054908	0	57	0.0	-32.28	455.38	10.92	-21.36
CCCCOC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1OC	REAL300012054909	0	57	0.0	-42.25	456.20	10.77	-31.48
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OC(F)F	REAL300012054910	0	48	0.0	-45.32	399.30	8.46	-36.86
CCOC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012054911	0	51	0.0	-41.77	422.96	9.47	-32.30
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012054912	0	50	0.0	-41.08	409.93	10.06	-31.02
CCOC1=CC2=C(C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-])OC(C)C2	REAL300012054913	0	55	0.0	-37.15	439.48	9.94	-27.21
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012054914	0	50	0.0	-44.72	406.30	8.09	-36.63
CCCCN1N=C(C)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1Cl	REAL300012054915	0	52	0.0	-33.67	434.34	10.05	-23.62
CCOC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1OC(F)F	REAL300012054916	0	51	0.0	-36.00	421.44	9.55	-26.45
CC1=CC(C)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012054917	0	49	0.0	-35.91	384.04	10.78	-25.13
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012054918	0	47	0.0	-41.20	400.45	11.85	-29.35
CC(C)(C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012054920	0	49	0.0	-38.98	380.67	10.77	-28.21
CN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012054921	0	56	0.0	-36.95	437.65	10.50	-26.45
CC1CCC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012054922	0	49	0.0	-38.51	372.65	9.90	-28.61
CC(CCC1=CC=CC=C1)C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054923	0	52	0.0	-41.12	410.41	11.89	-29.23
CCC1CCCC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012054924	0	52	0.0	-39.96	383.88	10.33	-29.63
CCC1=CC=CC(Cl)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054926	0	46	0.0	-31.18	380.09	10.66	-20.52
CC1=C(C)C=C2OC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=CC2=C1	REAL300012054927	1	49	0.0	-43.50	399.47	10.82	-32.68
CCCC1CCC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012054928	0	55	0.0	-39.43	414.18	11.41	-28.02
CC1CCCCC1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054929	0	49	0.0	-36.77	368.79	9.76	-27.01
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012054930	0	47	0.0	-39.90	400.39	9.25	-30.65
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012054931	0	47	0.0	-44.73	388.56	11.45	-33.28
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012054932	1	47	0.0	-46.07	399.45	10.98	-35.09
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012054933	0	46	0.0	-40.86	391.26	8.67	-32.19
CCCCC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012054934	1	55	0.0	-40.34	445.36	12.53	-27.81
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054935	0	53	0.0	-41.20	436.41	11.25	-29.95
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012054936	0	49	0.0	-43.64	411.49	9.54	-34.10
COC1=CC=C(C)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054937	0	47	0.0	-33.56	380.94	9.02	-24.54
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300012054938	0	44	0.0	-39.14	366.52	8.35	-30.79
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012054939	0	49	0.0	-41.40	391.01	10.31	-31.09
CC(C)C1CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])CCO1	REAL300012054940	0	53	0.0	-38.67	401.22	9.12	-29.55
CC1(C)CCC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012054941	0	52	0.0	-38.34	385.78	10.18	-28.16
CCSC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012054942	0	47	0.0	-35.68	392.47	10.83	-24.85
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012054943	1	41	0.0	-35.35	363.78	6.80	-28.55
COC1(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])CCCCC1	REAL300012054944	0	50	0.0	-36.40	374.30	8.38	-28.02
COCCC1(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])CCCCC1	REAL300012054946	0	56	0.0	-37.17	406.46	9.14	-28.03
CCCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012054947	0	50	0.0	-39.00	405.46	10.10	-28.90
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012054948	1	43	0.0	-43.60	360.49	9.59	-34.01
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012054949	1	47	0.0	-42.41	391.04	10.86	-31.55
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012054950	0	54	0.0	-39.92	429.34	9.71	-30.21
CCCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OCC	REAL300012054951	0	57	0.0	-41.71	455.34	10.84	-30.87
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012054952	0	45	0.0	-51.49	376.80	10.26	-41.23
CC(C)OC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012054953	0	50	0.0	-40.06	401.89	9.92	-30.14
CCCCCCCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012054954	0	62	0.0	-38.42	490.24	13.15	-25.27
CC(C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012054955	0	61	0.0	-38.88	465.53	13.42	-25.46
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300012054956	0	43	0.0	-40.25	359.32	9.77	-30.48
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012054957	0	44	0.0	-38.41	363.97	9.07	-29.34
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012054959	0	53	0.0	-34.53	417.06	8.64	-25.89
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012054960	0	40	0.0	-33.43	355.29	9.68	-23.75
CC(C)CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012054961	0	52	0.0	-36.92	411.94	11.66	-25.26
CC1=CC=C(C2=CC=CC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=C2)C=C1	REAL300012054962	0	53	0.0	-40.71	428.22	13.15	-27.56
COC1=CC=C(Br)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012054963	0	44	0.0	-35.69	372.32	8.77	-26.92
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012054964	0	46	0.0	-43.73	388.13	9.80	-33.93
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012054965	0	40	0.0	-39.39	366.07	10.08	-29.31
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012054966	0	40	0.0	-40.24	355.75	9.65	-30.59
CC1=CC=CC(C)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054967	0	46	0.0	-33.90	361.91	9.96	-23.94
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012054969	0	53	0.0	-40.73	427.44	13.08	-27.65
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012054970	0	44	0.0	-39.45	370.04	8.55	-30.90
CCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OCC	REAL300012054971	0	54	0.0	-42.43	435.06	10.11	-32.32
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012054972	0	40	0.0	-33.21	353.69	9.55	-23.66
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012054973	0	43	0.0	-44.77	382.68	10.38	-34.39
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012054974	0	40	0.0	-31.43	354.08	9.61	-21.82
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012054975	0	44	0.0	-37.21	376.79	8.77	-28.44
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012054976	0	40	0.0	-35.12	354.90	9.60	-25.52
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012054977	0	54	0.0	-41.54	440.82	12.13	-29.41
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012054978	0	40	0.0	-40.73	345.43	9.21	-31.52
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012054979	0	40	0.0	-33.49	354.35	9.59	-23.90
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C2=CC=CC=C12	REAL300012054980	0	50	0.0	-37.93	401.93	10.56	-27.37
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012054982	0	40	0.0	-33.46	343.25	9.10	-24.36
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300012054984	0	43	0.0	-42.06	358.43	5.70	-36.36
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012054985	0	45	0.0	-40.44	368.49	8.91	-31.53
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CSC(Br)=C1	REAL300012054986	0	37	0.0	-40.22	343.04	8.69	-31.53
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012054987	0	50	0.0	-38.41	405.61	12.41	-26.00
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012054988	0	53	0.0	-37.60	437.29	10.64	-26.96
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012054989	0	51	0.0	-41.34	405.32	8.91	-32.43
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012054990	0	44	0.0	-37.40	363.79	9.09	-28.31
CC1=CC(F)=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054991	0	43	0.0	-37.98	352.57	9.69	-28.29
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012054992	0	40	0.0	-44.04	359.61	9.74	-34.30
CC1=NC(C)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])S1	REAL300012054993	1	42	0.0	-38.60	358.47	7.54	-31.06
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012054994	0	49	0.0	-44.91	403.11	10.88	-34.03
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012054995	0	49	0.0	-40.24	401.83	10.71	-29.53
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012054996	0	49	0.0	-41.50	402.02	10.72	-30.78
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012054997	1	55	0.0	-40.90	426.59	9.62	-31.28
CN1CCN(C2=CC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])C=C2)CC1	REAL300012054998	1	57	0.0	-38.45	440.02	7.68	-30.77
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012054999	0	49	0.0	-42.42	412.72	7.49	-34.93
CNC(=O)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055000	0	47	0.0	-43.16	387.86	7.29	-35.87
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012055001	0	47	0.0	-39.73	396.03	10.25	-29.48
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012055002	0	47	0.0	-39.36	406.35	10.70	-28.66
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012055003	0	47	0.0	-40.94	403.53	9.76	-31.18
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012055004	0	46	0.0	-39.21	377.50	11.26	-27.95
COC1=C2OC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=CC2=CC=C1	REAL300012055005	1	47	0.0	-46.60	388.18	8.79	-37.81
CC(C)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012055006	0	51	0.0	-51.72	417.68	11.57	-40.15
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055007	0	56	0.0	-41.87	452.99	11.58	-30.29
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012055008	0	40	0.0	-35.12	359.46	9.70	-25.42
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012055009	0	40	0.0	-33.17	358.25	9.66	-23.51
COC1=CC(OC)=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055010	0	48	0.0	-39.46	389.79	7.58	-31.88
COC1=CC2=CC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])C=C2C=C1	REAL300012055011	0	50	0.0	-41.77	406.25	10.51	-31.26
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Br)=CS1	REAL300012055013	1	37	0.0	-37.68	344.30	8.80	-28.88
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055014	0	53	0.0	-38.65	430.32	11.20	-27.45
COC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1OC(F)F	REAL300012055015	0	48	0.0	-35.86	398.37	8.56	-27.30
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012055017	0	46	0.0	-53.19	382.95	8.12	-45.07
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012055019	0	40	0.0	-43.92	359.61	9.73	-34.19
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012055020	0	55	0.0	-37.69	423.74	10.26	-27.43
CCCCCCOC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055021	0	59	0.0	-36.03	468.14	12.34	-23.69
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1SC	REAL300012055022	0	48	0.0	-40.87	401.52	9.42	-31.45
N#CCCCOC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055023	0	51	0.0	-44.54	426.31	10.61	-33.93
CCC(C)OC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1OC	REAL300012055024	0	57	0.0	-40.85	451.89	10.60	-30.25
CCCCCCCOC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055025	0	62	0.0	-35.94	489.64	13.12	-22.82
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OCCCC#N	REAL300012055026	0	55	0.0	-45.50	453.75	10.41	-35.09
C=C(C)COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1OC	REAL300012055027	0	55	0.0	-41.57	443.72	10.45	-31.12
C=CCC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC(OC)=C1O	REAL300012055028	0	52	0.0	-41.30	427.48	8.22	-33.08
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012055029	1	47	0.0	-41.47	392.01	8.99	-32.48
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055030	0	49	0.0	-42.83	409.59	9.95	-32.88
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012055033	0	53	0.0	-43.73	425.44	8.14	-35.59
CN1C=NC2=CC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=CC=C21	REAL300012055034	0	46	0.0	-39.73	379.18	10.32	-29.41
CCN1N=C(C)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012055035	0	49	0.0	-36.38	395.09	8.65	-27.73
C=CCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300012055036	0	48	0.0	-44.08	412.89	10.43	-33.65
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012055037	1	46	0.0	-40.40	397.63	10.09	-30.31
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012055038	0	52	0.0	-33.85	419.03	8.93	-24.92
CC1(C)CC2=CC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=CC=C2O1	REAL300012055039	0	51	0.0	-40.68	410.02	10.32	-30.36
CC1=CC=CC(C2=NNC=C2C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055042	0	50	0.0	-34.46	410.01	9.59	-24.87
CC1=CC=C(F)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055043	0	43	0.0	-40.62	357.31	9.72	-30.90
CC1=CC=C(F)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055044	0	43	0.0	-40.57	353.82	9.75	-30.82
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012055045	0	43	0.0	-40.89	387.18	10.52	-30.37
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012055046	0	40	0.0	-32.27	366.60	10.13	-22.14
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(Br)=C1	REAL300012055047	0	43	0.0	-30.65	369.09	10.21	-20.44
CC1=NC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055048	0	42	0.0	-38.14	343.12	7.82	-30.32
CC(C)COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055049	0	53	0.0	-38.36	424.35	10.73	-27.63
COCCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055050	0	51	0.0	-41.04	417.59	8.57	-32.47
CC1(C)CCCC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012055051	0	52	0.0	-37.25	385.79	10.18	-27.07
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012055052	0	44	0.0	-42.46	386.67	9.13	-33.33
CN1N=C(C2=CC=CC=C2)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1Cl	REAL300012055053	0	50	0.0	-34.04	427.00	10.55	-23.49
CC1=CCCC(C)C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055054	0	50	0.0	-33.75	376.39	10.37	-23.38
COC1=CC2=C(C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-])OCO2	REAL300012055055	0	47	0.0	-37.62	385.50	7.02	-30.60
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012055056	0	45	0.0	-39.32	367.82	9.36	-29.96
CC(C)COC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055057	0	53	0.0	-36.75	425.56	10.79	-25.96
CC1=CC(Cl)=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055058	0	43	0.0	-37.84	364.13	10.19	-27.65
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012055059	0	44	0.0	-41.31	370.05	10.43	-30.88
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012055060	0	39	0.0	-43.32	342.50	7.61	-35.71
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012055061	0	39	0.0	-39.92	348.77	7.89	-32.03
CN1N=NC2=CC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=CC=C21	REAL300012055062	0	45	0.0	-51.17	376.59	7.51	-43.66
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1CCCCCC1	REAL300012055063	0	49	0.0	-39.47	364.72	9.85	-29.62
CC1(C)CC2=CC=CC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=C2O1	REAL300012055064	0	51	0.0	-32.97	409.82	10.28	-22.69
CN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012055066	0	50	0.0	-39.97	410.85	10.19	-29.78
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012055067	0	47	0.0	-37.29	389.15	10.17	-27.12
CC(C)N1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300012055068	0	46	0.0	-42.58	375.63	8.26	-34.32
CC1=C(Br)SC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055069	1	40	0.0	-40.24	362.89	9.44	-30.80
CC1=NC2=CC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])C=C2C=C1	REAL300012055070	0	48	0.0	-40.97	394.09	9.98	-30.99
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012055071	0	42	0.0	-35.41	356.47	8.14	-27.27
CC1=CC(C2=CC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])C=C2)=CC(C)=C1	REAL300012055072	0	56	0.0	-39.16	447.81	13.71	-25.45
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012055073	0	49	0.0	-44.10	406.89	12.60	-31.50
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012055074	1	43	0.0	-42.66	365.09	9.56	-33.10
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012055075	0	47	0.0	-42.02	395.76	9.55	-32.47
COCC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055076	0	47	0.0	-38.98	385.86	8.69	-30.29
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055077	0	50	0.0	-39.24	426.53	11.33	-27.91
CCCCOC1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055078	0	53	0.0	-33.18	425.60	10.94	-22.24
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012055079	0	51	0.0	-40.68	433.20	13.17	-27.51
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012055080	0	50	0.0	-35.74	407.63	9.85	-25.89
COC1=CC(C)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300012055081	0	51	0.0	-41.22	406.14	8.87	-32.35
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055083	1	46	0.0	-38.45	387.07	7.68	-30.77
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012055084	1	44	0.0	-34.69	379.41	7.92	-26.77
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012055085	0	50	0.0	-47.60	423.26	10.81	-36.79
CC(C)(C)C1CCC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012055087	0	58	0.0	-38.74	413.58	11.09	-27.65
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055088	0	54	0.0	-35.38	434.88	11.85	-23.53
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055089	0	54	0.0	-35.79	433.64	11.77	-24.02
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C(C)O1	REAL300012055090	1	43	0.0	-39.66	354.44	8.68	-30.98
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055091	0	53	0.0	-38.42	430.05	10.08	-28.34
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012055092	0	51	0.0	-38.64	414.42	10.81	-27.83
COC1=CC(Cl)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300012055093	0	44	0.0	-37.88	388.78	9.36	-28.52
CC(C)CC1=NC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])S1	REAL300012055094	1	48	0.0	-38.51	400.45	9.24	-29.27
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012055095	1	43	0.0	-40.45	388.29	9.10	-31.35
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012055096	1	43	0.0	-39.94	388.77	9.04	-30.90
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])S2)O1	REAL300012055097	1	46	0.0	-42.35	401.10	8.93	-33.42
CC1=CC(Br)=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055098	0	43	0.0	-37.85	368.68	10.30	-27.55
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012055099	0	40	0.0	-43.01	368.73	10.14	-32.87
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012055100	0	47	0.0	-36.68	394.23	8.92	-27.76
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012055101	0	49	0.0	-36.76	407.55	10.74	-26.02
COCCOC1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055103	0	51	0.0	-35.21	416.17	8.63	-26.58
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012055104	0	40	0.0	-31.57	365.62	10.12	-21.45
COC1=C(Br)C=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055105	0	44	0.0	-32.52	381.37	9.05	-23.47
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COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055108	0	44	0.0	-39.47	362.11	8.37	-31.10
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012055109	1	47	0.0	-42.68	397.45	10.93	-31.75
CC(C)(C)C1=NC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])S1	REAL300012055110	1	48	0.0	-38.49	399.45	8.85	-29.64
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012055111	0	46	0.0	-38.79	375.29	8.13	-30.66
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012055112	0	40	0.0	-36.14	352.08	9.59	-26.55
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012055113	0	40	0.0	-36.23	347.52	9.48	-26.75
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012055114	0	47	0.0	-43.16	389.63	10.18	-32.98
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012055115	0	50	0.0	-39.59	429.46	11.21	-28.38
CC(C)(C)N1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300012055116	1	49	0.0	-37.15	393.57	8.79	-28.36
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O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012055120	0	40	0.0	-38.37	343.32	9.52	-28.85
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012055121	0	42	0.0	-41.08	360.82	9.74	-31.34
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012055122	0	42	0.0	-45.34	359.01	9.64	-35.70
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012055123	0	46	0.0	-35.55	371.78	11.11	-24.44
CN(C)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055124	0	48	0.0	-37.73	382.30	9.38	-28.35
CCN(CC)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055125	0	54	0.0	-37.08	425.93	11.28	-25.80
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012055126	0	40	0.0	-39.61	353.90	9.69	-29.92
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012055127	0	40	0.0	-39.61	349.33	9.59	-30.02
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O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012055129	0	40	0.0	-33.90	349.12	9.38	-24.52
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012055130	0	40	0.0	-40.37	339.01	9.14	-31.23
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012055131	0	44	0.0	-36.36	370.44	8.71	-27.65
COC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1OC	REAL300012055132	0	48	0.0	-33.26	390.17	8.26	-25.00
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012055133	0	40	0.0	-32.28	362.03	10.02	-22.26
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012055134	0	53	0.0	-39.31	414.81	7.81	-31.50
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300012055135	0	48	0.0	-41.26	391.35	8.27	-32.99
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(OC)=C1	REAL300012055136	0	48	0.0	-34.15	388.99	7.66	-26.49
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012055137	0	43	0.0	-40.66	370.12	10.01	-30.65
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012055138	0	40	0.0	-33.55	343.36	9.09	-24.46
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012055139	0	40	0.0	-31.44	359.27	9.90	-21.54
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012055140	0	40	0.0	-43.03	364.52	10.04	-32.99
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012055141	0	44	0.0	-42.99	371.86	8.65	-34.34
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012055142	0	43	0.0	-42.53	360.00	10.06	-32.47
CCCCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055143	0	53	0.0	-38.95	426.96	10.88	-28.07
CC(C)CCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055144	0	56	0.0	-38.42	443.31	11.33	-27.09
CCCCCCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055145	0	59	0.0	-38.89	469.95	12.44	-26.45
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012055146	0	51	0.0	-42.06	421.21	11.90	-30.16
COC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055147	0	44	0.0	-36.60	360.30	8.27	-28.33
CC(=CC1=CC=CC=C1)C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055148	0	47	0.0	-38.20	377.83	10.72	-27.48
CCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300012055149	0	51	0.0	-41.71	411.40	9.09	-32.62
CC(C)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055150	0	49	0.0	-37.09	391.02	10.90	-26.19
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012055151	0	43	0.0	-37.87	371.33	10.06	-27.81
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(OC)=C1OC	REAL300012055152	0	52	0.0	-34.92	423.27	8.21	-26.71
CCOC1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055153	0	47	0.0	-33.00	381.33	9.30	-23.70
CCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055154	0	47	0.0	-38.73	382.75	9.23	-29.50
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1F	REAL300012055155	0	40	0.0	-41.40	335.95	9.06	-32.34
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012055156	0	40	0.0	-37.65	339.01	9.14	-28.51
COC1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055157	0	44	0.0	-33.98	360.69	8.44	-25.54
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])SC=C1	REAL300012055158	0	40	0.0	-37.50	340.15	8.69	-28.81
COC1=CC=C(Br)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055159	0	44	0.0	-36.07	382.00	9.04	-27.03
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012055160	0	50	0.0	-40.09	406.82	12.49	-27.60
COC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012055161	0	50	0.0	-37.39	402.99	10.56	-26.83
N#CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055162	0	41	0.0	-43.33	351.65	9.37	-33.96
CSC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055163	0	44	0.0	-39.08	372.82	10.09	-28.99
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012055164	0	40	0.0	-32.82	357.84	9.76	-23.06
COC1=CC(OC)=C(OC)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055165	0	52	0.0	-36.72	417.65	7.53	-29.19
CCC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055166	0	46	0.0	-37.63	374.28	10.45	-27.18
CC1=CC(C)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300012055167	0	49	0.0	-33.85	383.33	10.63	-23.22
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012055168	0	40	0.0	-37.10	342.01	9.04	-28.06
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012055169	0	40	0.0	-45.49	345.31	9.19	-36.30
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012055171	0	54	0.0	-37.21	442.05	12.25	-24.96
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])S1	REAL300012055172	0	40	0.0	-39.02	344.71	8.97	-30.05
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1Br	REAL300012055173	0	40	0.0	-37.30	345.15	9.58	-27.72
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1O	REAL300012055174	0	45	0.0	-40.23	371.06	6.11	-34.12
CC1=NN(C)C(C)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055175	0	46	0.0	-41.51	373.47	7.81	-33.70
CC1=NN(C)C(Cl)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055176	0	43	0.0	-34.32	369.54	7.64	-26.68
CCC1=NN(C)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055177	0	46	0.0	-38.44	376.56	8.18	-30.26
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012055178	0	43	0.0	-40.19	373.01	8.14	-32.05
CN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012055179	1	52	0.0	-35.21	402.87	9.11	-26.10
CN(CCC#N)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055181	0	52	0.0	-43.80	425.56	10.86	-32.94
CCOC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1OC	REAL300012055182	0	51	0.0	-33.42	413.24	9.24	-24.18
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OCC(N)=O	REAL300012055183	0	52	0.0	-48.59	428.13	6.13	-42.46
C#CCOC1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055184	0	46	0.0	-34.29	388.33	9.91	-24.38
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012055187	0	47	0.0	-42.65	388.19	7.01	-35.64
COC1=CC2=C(C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-])OC(C)C2	REAL300012055189	0	52	0.0	-37.11	416.02	8.92	-28.19
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012055191	0	47	0.0	-40.11	382.18	9.11	-31.00
CC(C)(C)C1=NNC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055192	0	49	0.0	-35.50	381.13	7.84	-27.66
COC1=CC=CC(OC)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055193	0	48	0.0	-36.06	388.91	7.80	-28.26
COC1=CC=C(F)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055194	0	44	0.0	-40.01	365.39	8.34	-31.67
CSC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])S1	REAL300012055195	1	41	0.0	-39.53	366.12	9.39	-30.14
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055196	0	53	0.0	-31.72	421.74	12.88	-18.84
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012055197	0	43	0.0	-34.42	358.61	7.72	-26.70
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012055198	1	37	0.0	-32.51	336.30	8.51	-24.00
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055199	0	46	0.0	-47.06	393.30	6.59	-40.47
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012055200	0	50	0.0	-40.63	423.54	13.01	-27.62
COC1=CC=C(F)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055201	0	44	0.0	-36.94	367.14	8.49	-28.45
NC(=O)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055202	0	44	0.0	-43.11	365.93	5.79	-37.32
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300012055203	0	44	0.0	-42.90	368.33	8.42	-34.48
COC1=CC=C(Cl)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055204	0	44	0.0	-35.13	375.64	8.84	-26.29
COC(=O)C1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CN1C	REAL300012055205	0	47	0.0	-39.16	392.03	9.26	-29.90
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300012055206	0	43	0.0	-37.07	368.07	10.18	-26.89
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1C	REAL300012055207	0	47	0.0	-38.88	382.18	9.11	-29.77
CC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1F	REAL300012055208	0	43	0.0	-33.16	358.48	9.73	-23.43
N#CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300012055209	0	41	0.0	-37.40	357.78	9.41	-27.99
CC1=NNC(C)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055210	0	43	0.0	-40.66	353.15	6.60	-34.06
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012055211	0	53	0.0	-39.31	434.83	10.56	-28.75
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012055212	0	39	0.0	-42.82	347.09	7.74	-35.08
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012055213	1	49	0.0	-39.80	405.06	6.32	-33.48
C#CCCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055214	0	49	0.0	-39.93	410.02	10.55	-29.38
CC1=NN(C)C2=NC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])C=C12	REAL300012055216	0	48	0.0	-43.84	398.87	8.80	-35.04
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012055219	0	43	0.0	-45.17	375.08	10.01	-35.16
CC1=NN(C)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055220	0	43	0.0	-38.77	355.07	7.44	-31.33
CCOCC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1OC	REAL300012055221	0	54	0.0	-42.52	436.19	9.28	-33.24
CCN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300012055222	0	43	0.0	-37.73	355.14	7.64	-30.09
NC(=O)C1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055223	0	44	0.0	-40.40	367.15	5.84	-34.56
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1CCCCCCC1	REAL300012055225	0	52	0.0	-38.58	375.28	10.25	-28.33
COC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1F	REAL300012055227	0	44	0.0	-33.72	366.26	8.33	-25.39
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012055228	0	40	0.0	-33.02	351.67	9.42	-23.60
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012055229	0	47	0.0	-38.63	378.15	10.98	-27.65
CC(C)COC1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055231	0	53	0.0	-33.00	424.15	10.86	-22.14
CCN1N=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055232	1	43	0.0	-36.41	349.10	7.54	-28.87
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012055234	0	40	0.0	-39.99	360.31	9.75	-30.24
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012055235	0	45	0.0	-42.65	372.39	9.49	-33.16
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012055236	0	40	0.0	-31.21	353.38	9.59	-21.62
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])SC=N1	REAL300012055237	1	39	0.0	-38.66	336.52	6.83	-31.83
COC1=CC(F)=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055238	0	44	0.0	-39.63	366.71	8.34	-31.29
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012055239	0	40	0.0	-33.48	358.77	9.70	-23.78
CC(C)(C)C1=NC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300012055240	0	50	0.0	-41.38	404.23	9.02	-32.36
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=CS1	REAL300012055241	0	40	0.0	-37.44	339.84	8.78	-28.66
CS(=O)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055242	0	45	0.0	-44.83	384.82	7.66	-37.17
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012055243	0	50	0.0	-37.39	394.08	11.49	-25.90
COC(=O)C1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CN1	REAL300012055245	0	44	0.0	-49.89	374.26	7.50	-42.39
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=C1OC	REAL300012055247	0	51	0.0	-39.04	406.36	8.94	-30.10
CC1=NC(F)=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055249	0	42	0.0	-40.50	349.55	7.76	-32.74
COC1=CC(C)=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055250	0	47	0.0	-33.92	382.15	9.09	-24.83
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CS1	REAL300012055251	1	40	0.0	-37.52	344.47	8.82	-28.70
CS(=O)(=O)C1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055254	0	46	0.0	-42.82	391.49	6.48	-36.34
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012055255	1	37	0.0	-37.92	339.71	8.69	-29.23
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012055256	0	53	0.0	-37.85	416.15	12.26	-25.59
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])N(C)N=C1	REAL300012055257	1	43	0.0	-38.96	352.29	7.18	-31.78
CC1=CC(Cl)=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055258	0	43	0.0	-37.04	370.75	10.24	-26.80
COCC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055259	0	47	0.0	-39.13	385.85	8.70	-30.43
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012055261	0	47	0.0	-37.39	380.02	11.08	-26.31
C=CN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300012055263	0	41	0.0	-44.50	347.20	8.08	-36.42
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012055264	1	50	0.0	-37.02	398.33	9.54	-27.48
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055265	0	50	0.0	-34.04	404.70	10.59	-23.45
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012055266	0	43	0.0	-39.81	363.57	9.87	-29.94
COC1=CC(C)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=N1	REAL300012055267	0	49	0.0	-38.42	393.25	6.81	-31.61
COC1=CC=CC(Cl)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055268	0	44	0.0	-33.27	373.01	8.73	-24.54
CCC1=CC(OC)=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055269	0	50	0.0	-37.00	395.55	9.64	-27.36
CC1=NC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012055270	1	50	0.0	-35.84	410.42	11.28	-24.56
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=NN1C	REAL300012055271	0	43	0.0	-42.59	350.99	7.27	-35.32
CCCN1N=C(C)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012055272	0	52	0.0	-36.75	417.80	9.47	-27.28
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012055273	0	45	0.0	-41.72	374.60	8.73	-32.99
COCCN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300012055274	0	47	0.0	-39.67	390.62	6.79	-32.88
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012055275	0	50	0.0	-37.93	398.36	11.66	-26.27
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012055276	0	50	0.0	-39.92	407.08	10.67	-29.25
CCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300012055277	0	47	0.0	-45.70	390.19	9.37	-36.33
COC1=CC=CC2=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])C=CC=C12	REAL300012055278	0	50	0.0	-37.91	402.00	10.56	-27.35
N#CC1=CSC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055279	1	38	0.0	-41.98	343.87	8.59	-33.39
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1C#N	REAL300012055280	0	45	0.0	-46.11	381.10	8.72	-37.39
CC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055281	1	50	0.0	-37.58	406.65	10.88	-26.70
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1C#N	REAL300012055283	0	44	0.0	-44.15	372.61	9.96	-34.19
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012055284	0	47	0.0	-40.30	395.25	7.31	-32.99
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(Br)=C1	REAL300012055285	0	44	0.0	-31.44	377.15	8.83	-22.61
CC(C)CN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300012055287	0	49	0.0	-38.01	398.26	9.27	-28.74
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012055288	0	47	0.0	-35.61	375.64	11.06	-24.55
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055290	0	55	0.0	-36.83	440.49	11.67	-25.16
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055291	0	50	0.0	-33.14	421.68	11.75	-21.39
CN1C(=O)CCC2=CC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=CC=C21	REAL300012055293	0	51	0.0	-43.66	406.65	9.87	-33.79
CC1=CC=C(OC(F)F)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055294	0	47	0.0	-35.83	390.70	9.31	-26.52
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012055295	1	46	0.0	-41.10	400.93	10.26	-30.84
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012055296	0	51	0.0	-35.21	431.01	11.44	-23.77
CC1=NN(C(C)C)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055297	0	49	0.0	-38.05	396.05	8.79	-29.26
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012055298	1	49	0.0	-37.98	403.29	9.63	-28.35
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012055299	1	43	0.0	-38.97	370.52	8.70	-30.27
CC(C)C1=NC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])S1	REAL300012055300	1	45	0.0	-38.26	380.36	8.31	-29.95
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012055301	1	43	0.0	-42.39	379.19	8.11	-34.28
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012055302	0	40	0.0	-41.88	366.93	10.04	-31.84
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012055303	1	52	0.0	-39.79	442.19	11.58	-28.21
CN1C=C(C2=CC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])C=C2)C=N1	REAL300012055304	0	50	0.0	-42.51	412.72	10.37	-32.14
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012055305	0	43	0.0	-43.80	368.13	7.93	-35.87
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012055306	0	51	0.0	-40.40	425.90	11.89	-28.51
CN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012055307	0	50	0.0	-41.41	417.18	10.26	-31.15
CN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012055308	0	51	0.0	-43.20	431.60	10.57	-32.63
CN(C)C(=O)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])N1	REAL300012055309	0	48	0.0	-48.18	388.70	7.19	-40.99
NC(=O)C1=CSC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055310	1	41	0.0	-41.15	358.94	4.93	-36.22
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300012055311	0	54	0.0	-40.75	439.17	11.40	-29.35
CCC1=NN(C)C(CC)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055312	0	52	0.0	-38.25	409.53	9.37	-28.88
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012055313	1	46	0.0	-38.61	387.17	9.18	-29.43
CN1N=C(Br)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055316	0	40	0.0	-38.38	354.94	7.18	-31.20
CN1C=C(C2=CC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])S2)C=N1	REAL300012055317	0	47	0.0	-42.70	406.56	9.75	-32.95
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012055318	0	52	0.0	-39.95	409.88	9.86	-30.09
CCOC1=C(Cl)C=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055319	0	47	0.0	-32.55	400.01	9.97	-22.58
CCC1=CC=CC(F)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055320	0	46	0.0	-39.96	372.93	10.31	-29.65
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012055321	0	40	0.0	-43.40	364.33	10.02	-33.38
COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055323	1	51	0.0	-38.20	417.42	9.40	-28.80
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012055324	0	44	0.0	-36.00	380.76	8.84	-27.16
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012055325	1	47	0.0	-39.28	394.04	10.00	-29.28
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012055326	0	53	0.0	-39.53	425.27	10.74	-28.79
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012055327	0	53	0.0	-32.50	426.37	10.56	-21.94
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012055329	0	50	0.0	-36.42	431.94	11.05	-25.37
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012055331	1	43	0.0	-38.12	368.07	8.50	-29.62
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012055332	0	46	0.0	-33.26	393.64	12.67	-20.59
COC(=O)C1=C(C)N(C)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055333	0	50	0.0	-38.58	409.24	9.51	-29.07
COCCCN1N=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055334	1	50	0.0	-37.06	405.49	7.43	-29.63
CC1=CC(F)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(Cl)=C1	REAL300012055335	0	43	0.0	-33.91	373.37	10.17	-23.74
COCCOCC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055336	0	54	0.0	-42.40	443.14	9.03	-33.37
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012055338	0	40	0.0	-30.07	351.31	8.98	-21.09
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012055339	0	46	0.0	-42.48	401.88	11.56	-30.92
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012055341	0	47	0.0	-37.20	380.60	11.10	-26.10
CC1=NN(C)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055342	1	43	0.0	-37.63	352.57	7.14	-30.49
N#CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300012055343	0	41	0.0	-43.43	357.55	9.41	-34.02
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012055344	0	43	0.0	-45.74	370.43	8.07	-37.67
CC1=CC(F)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300012055345	0	43	0.0	-35.96	362.83	9.69	-26.27
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])O1	REAL300012055346	0	50	0.0	-33.83	415.32	9.43	-24.40
CC(C)CN1N=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055347	1	49	0.0	-35.80	390.20	9.15	-26.65
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012055348	0	39	0.0	-39.58	359.76	8.27	-31.31
COC(=O)C1=C(C)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CN1	REAL300012055349	0	47	0.0	-38.69	390.21	8.08	-30.61
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])S2)C=C1C	REAL300012055350	1	52	0.0	-39.96	434.79	11.23	-28.73
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055351	0	50	0.0	-41.80	414.21	10.96	-30.84
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055352	0	50	0.0	-40.06	421.92	11.50	-28.56
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055353	0	53	0.0	-40.06	432.42	11.54	-28.52
CC(C)(C#N)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055354	0	50	0.0	-42.37	409.22	11.02	-31.35
CC(C)C1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055355	0	49	0.0	-34.90	385.19	10.78	-24.12
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012055358	1	42	0.0	-44.55	353.41	7.76	-36.79
COC1=CC(OC)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300012055359	0	48	0.0	-39.56	396.36	7.81	-31.75
COC1=CC(F)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300012055360	0	48	0.0	-43.00	394.64	8.26	-34.74
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(Cl)=C1	REAL300012055361	0	43	0.0	-31.27	365.50	10.11	-21.16
CCC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055362	0	46	0.0	-37.12	373.69	10.40	-26.72
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055363	0	53	0.0	-39.79	431.27	11.47	-28.32
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300012055364	0	44	0.0	-34.04	367.66	8.38	-25.66
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012055365	0	47	0.0	-37.10	376.91	10.90	-26.20
COC1=CC=CC(F)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055366	0	44	0.0	-34.26	364.26	8.34	-25.92
CCCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300012055367	0	53	0.0	-37.50	420.23	10.71	-26.79
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012055368	0	42	0.0	-43.02	363.51	8.75	-34.27
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012055369	0	44	0.0	-42.90	357.31	7.58	-35.32
CCC1=C2OC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=CC2=CC=C1	REAL300012055370	1	49	0.0	-42.50	401.57	10.92	-31.58
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012055372	1	47	0.0	-39.53	385.88	9.05	-30.48
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012055373	0	48	0.0	-34.28	398.53	10.07	-24.21
CCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300012055374	0	50	0.0	-37.25	397.52	9.85	-27.40
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012055375	0	44	0.0	-36.32	376.94	8.77	-27.55
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012055376	0	44	0.0	-38.24	375.68	8.71	-29.53
COC1=NC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055377	0	43	0.0	-34.02	358.38	5.84	-28.18
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012055378	0	53	0.0	-37.40	416.83	12.28	-25.12
CN1C=C(C2=NN(C)C=C2C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300012055379	0	50	0.0	-36.51	414.78	8.00	-28.51
COCC1=CSC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055380	0	44	0.0	-39.27	376.91	7.84	-31.43
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012055382	0	40	0.0	-37.54	361.40	9.11	-28.43
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012055384	0	40	0.0	-31.00	353.96	9.10	-21.90
CN(C)C1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=CC(F)=C1F	REAL300012055385	0	48	0.0	-34.55	391.04	9.07	-25.48
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012055386	1	40	0.0	-35.49	357.83	9.56	-25.93
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012055387	0	52	0.0	-42.74	417.96	8.71	-34.03
CN(C)C1=CC(F)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300012055388	0	48	0.0	-41.48	398.02	8.65	-32.83
COC(=O)C1=C2CCCCN2C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055389	0	54	0.0	-37.78	432.51	10.71	-27.07
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012055390	0	40	0.0	-48.74	348.53	9.18	-39.56
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012055391	0	47	0.0	-41.48	400.84	9.36	-32.12
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OC1CC1	REAL300012055392	0	52	0.0	-41.46	421.18	9.87	-31.59
CCCN1N=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055393	1	46	0.0	-35.75	369.77	8.25	-27.50
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055394	0	43	0.0	-39.31	374.59	7.66	-31.65
COCC(C)OC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055395	0	54	0.0	-42.22	434.19	9.27	-32.95
CCCC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])S1	REAL300012055396	0	46	0.0	-37.95	385.88	10.43	-27.52
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012055397	0	47	0.0	-39.24	399.97	11.69	-27.55
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012055398	1	53	0.0	-35.75	425.70	11.17	-24.58
CC(C)C1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055399	0	49	0.0	-36.61	391.01	10.89	-25.72
CN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(Cl)=N1	REAL300012055400	0	40	0.0	-44.83	352.09	7.27	-37.56
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012055401	0	56	0.0	-39.21	433.28	11.05	-28.16
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012055402	0	53	0.0	-38.06	423.66	12.58	-25.48
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055403	0	48	0.0	-33.86	404.19	8.21	-25.65
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C(Br)C=C1F	REAL300012055405	0	43	0.0	-38.52	371.84	10.28	-28.24
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012055406	0	41	0.0	-35.31	358.91	6.73	-28.58
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1Cl	REAL300012055408	0	44	0.0	-41.36	378.14	8.92	-32.44
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012055409	1	50	0.0	-39.09	398.61	9.42	-29.67
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012055411	0	46	0.0	-39.09	381.80	10.64	-28.45
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300012055413	0	43	0.0	-33.16	359.58	9.77	-23.39
CC(=O)NC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055414	0	47	0.0	-45.85	386.61	7.88	-37.97
CN1N=CC2=CC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=CN=C21	REAL300012055415	0	45	0.0	-43.77	376.91	8.20	-35.57
COC1=CC(Cl)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300012055417	0	48	0.0	-40.22	401.95	8.71	-31.51
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012055418	0	46	0.0	-40.48	392.37	10.79	-29.69
CN1N=C2CCCCC2=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055419	1	50	0.0	-38.87	395.60	9.00	-29.87
CCOC(=O)C1=C(C)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C(C)N1	REAL300012055420	0	53	0.0	-44.26	430.86	9.35	-34.91
CC1=C(C)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CS1	REAL300012055421	0	43	0.0	-36.73	357.80	9.35	-27.38
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012055422	0	39	0.0	-43.17	348.98	7.69	-35.48
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012055423	0	50	0.0	-38.62	425.65	13.04	-25.58
CCOC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C(F)C=C1OC	REAL300012055425	0	51	0.0	-42.86	416.50	9.17	-33.69
COC1=NC=C(Br)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055426	0	43	0.0	-34.48	379.71	6.43	-28.05
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012055427	0	46	0.0	-38.68	379.14	11.24	-27.44
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CN=C1Br	REAL300012055428	0	39	0.0	-41.60	340.33	7.68	-33.92
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012055429	0	40	0.0	-31.34	363.49	10.01	-21.33
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012055430	0	44	0.0	-33.13	383.68	8.99	-24.14
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055431	0	50	0.0	-36.06	406.93	10.04	-26.02
CCOC1=CC(F)=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055432	0	47	0.0	-39.59	389.16	9.30	-30.29
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012055433	0	54	0.0	-43.15	427.39	10.01	-33.14
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012055434	0	44	0.0	-36.43	377.41	8.66	-27.77
CC(C)(C)OC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055435	0	53	0.0	-35.84	411.20	10.11	-25.73
CC1=C(Cl)C=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055436	0	43	0.0	-36.58	362.07	10.06	-26.52
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C(F)C=C1C	REAL300012055437	0	47	0.0	-41.52	386.71	9.15	-32.37
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=C1Br	REAL300012055438	0	46	0.0	-35.44	382.48	10.71	-24.73
COCCC1=NC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])S1	REAL300012055441	1	46	0.0	-39.43	393.25	6.78	-32.65
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012055442	1	41	0.0	-36.27	368.55	6.90	-29.37
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012055443	1	41	0.0	-37.42	354.87	6.42	-31.00
CN1N=C2CCSCC2=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055444	1	48	0.0	-41.44	397.01	8.73	-32.71
CCN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012055445	0	53	0.0	-33.83	432.02	11.04	-22.79
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012055446	0	48	0.0	-37.60	379.44	9.03	-28.57
COCC1=C(C)C=C(C)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012055447	0	56	0.0	-36.13	433.27	10.26	-25.87
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012055448	0	42	0.0	-50.47	360.37	9.61	-40.86
CC1=C(Br)C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])S1	REAL300012055449	0	40	0.0	-37.03	362.94	9.46	-27.57
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012055450	0	50	0.0	-40.81	423.55	12.99	-27.82
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012055451	0	45	0.0	-40.14	368.72	9.32	-30.82
CCCOC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012055452	0	53	0.0	-38.63	423.72	10.74	-27.89
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012055453	0	44	0.0	-46.24	368.65	7.48	-38.76
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012055454	0	54	0.0	-43.07	444.82	10.05	-33.02
CCOC1=CC=CC(F)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055455	0	47	0.0	-37.89	387.95	9.38	-28.51
CC1=CC=C(Br)C(F)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055456	0	43	0.0	-43.42	373.71	10.12	-33.30
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012055457	0	45	0.0	-39.15	369.03	10.12	-29.03
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055458	0	48	0.0	-44.34	387.28	10.60	-33.74
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(F)=C1OC	REAL300012055460	0	48	0.0	-35.28	399.44	8.33	-26.95
COC(=O)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300012055461	0	46	0.0	-36.80	392.94	9.75	-27.05
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012055462	0	50	0.0	-38.46	419.25	9.45	-29.01
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012055463	0	54	0.0	-40.56	442.06	12.24	-28.32
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012055464	0	47	0.0	-35.58	394.34	9.62	-25.96
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055466	0	56	0.0	-37.68	446.73	12.01	-25.67
CC1=CC(C#N)=CC(C)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055467	0	47	0.0	-40.29	383.17	10.41	-29.88
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012055468	0	43	0.0	-38.87	361.73	7.78	-31.09
CCCC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055470	0	49	0.0	-37.07	395.18	11.19	-25.88
CC1=C2C=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])C=NC2=NN1	REAL300012055473	0	45	0.0	-52.74	375.67	7.58	-45.16
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055474	0	48	0.0	-43.03	409.86	5.69	-37.34
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012055476	1	43	0.0	-42.23	359.49	7.68	-34.55
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055477	0	40	0.0	-43.90	366.06	8.35	-35.55
CCC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])S1	REAL300012055478	0	43	0.0	-39.06	366.20	9.75	-29.31
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012055479	1	45	0.0	-40.95	368.53	9.25	-31.70
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012055480	1	46	0.0	-42.34	379.10	10.04	-32.30
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055481	0	60	0.0	-38.28	454.38	11.16	-27.12
CCC1=NC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])S1	REAL300012055482	1	42	0.0	-38.94	360.79	7.78	-31.16
COC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])SC=C1	REAL300012055483	1	41	0.0	-35.06	352.73	7.47	-27.59
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012055484	1	46	0.0	-39.65	386.99	7.20	-32.45
CC1=NN2C(=NC(C)=C2C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])S1	REAL300012055486	1	45	0.0	-36.43	385.74	8.18	-28.25
CCCC(C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012055488	0	52	0.0	-34.15	410.99	11.69	-22.46
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012055489	0	45	0.0	-36.31	385.14	9.93	-26.38
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1CC2CCC1C2	REAL300012055490	0	47	0.0	-39.88	357.73	9.69	-30.19
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)N=C1	REAL300012055491	0	39	0.0	-45.49	333.87	7.23	-38.26
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012055492	0	40	0.0	-42.87	363.47	9.38	-33.49
CN(C)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012055493	0	51	0.0	-43.14	411.86	10.52	-32.62
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055494	0	50	0.0	-39.04	414.34	11.69	-27.35
CC(C)C1CCC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012055496	0	55	0.0	-39.54	409.52	11.12	-28.42
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012055497	0	43	0.0	-45.32	392.52	10.41	-34.91
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055498	0	51	0.0	-41.48	418.74	10.46	-31.02
COCC1=CC=CC=C1C=C(C)C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055499	0	54	0.0	-39.76	429.31	10.57	-29.19
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055500	0	50	0.0	-31.86	405.22	9.86	-22.00
CN1N=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1Cl	REAL300012055503	0	40	0.0	-35.89	351.24	7.20	-28.69
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012055504	1	42	0.0	-48.79	353.45	6.45	-42.34
COC1=CC=C(N2C=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])C=N2)C=C1	REAL300012055505	0	51	0.0	-40.25	419.11	9.48	-30.77
CC1=CN=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055506	0	42	0.0	-38.34	340.95	7.81	-30.53
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012055507	1	42	0.0	-48.08	372.02	7.04	-41.04
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012055508	0	47	0.0	-39.09	381.78	11.17	-27.92
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NC=C1Br	REAL300012055509	0	39	0.0	-39.31	341.12	7.80	-31.51
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012055511	1	46	0.0	-36.26	376.37	9.74	-26.52
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300012055512	0	45	0.0	-41.02	392.41	4.04	-36.98
CC1=C(Br)C=NC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055515	0	42	0.0	-38.35	359.86	8.36	-29.99
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055516	0	43	0.0	-43.72	367.99	7.58	-36.14
CN1N=CC(C2CC2)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055517	1	47	0.0	-38.96	382.10	8.64	-30.32
CN1N=CC(C2CCC2)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055518	1	50	0.0	-38.98	398.99	9.20	-29.78
CC1=NC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])N1C	REAL300012055519	1	43	0.0	-37.31	353.55	8.05	-29.26
CC1=C2C=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])NC2=CC=C1	REAL300012055520	0	47	0.0	-39.77	384.23	9.59	-30.18
O=C([O-])[C@H](COCC1=CC=CC=C1)NCC1=CC=NN1C1=CC=[NH+]C=C1	REAL300012055521	1	46	0.0	-44.99	385.44	7.46	-37.53
CC1=CC=C2C=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])NC2=C1	REAL300012055522	0	47	0.0	-39.68	384.64	9.60	-30.08
CCOC1=CN=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055524	0	46	0.0	-39.65	377.68	7.41	-32.24
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012055525	0	39	0.0	-39.77	336.89	7.66	-32.11
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012055526	1	51	0.0	-37.68	405.14	7.58	-30.10
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012055527	0	43	0.0	-44.66	358.73	7.77	-36.89
CCC(F)(F)C(C)(C)C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055528	0	48	0.0	-41.71	370.90	9.37	-32.34
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NC(F)=C1	REAL300012055529	0	39	0.0	-41.04	333.91	7.24	-33.80
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012055530	0	44	0.0	-41.11	363.97	9.09	-32.02
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012055532	0	42	0.0	-44.68	360.62	8.19	-36.49
CN(C)C1=CC=C(C#N)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055533	0	49	0.0	-39.84	404.45	9.50	-30.34
COC1=CN=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012055535	0	46	0.0	-38.98	369.92	7.16	-31.82
CC1=CC(C)=C(C=CC[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300012055536	0	53	0.0	-39.21	422.63	12.19	-27.02
CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055539	0	48	0.0	-35.34	389.01	9.09	-26.25
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012055541	0	45	0.0	-42.01	378.80	9.44	-32.57
CC1=CC(C)=C(C=CC[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012055542	0	53	0.0	-38.32	417.72	11.99	-26.33
CC1=NSC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055543	1	39	0.0	-43.09	339.16	7.48	-35.61
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055544	0	45	0.0	-47.08	386.84	4.02	-43.06
CN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012055551	0	53	0.0	-37.53	419.14	9.87	-27.66
CC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1Br	REAL300012055552	0	43	0.0	-30.31	365.25	10.09	-20.22
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012055553	0	51	0.0	-44.28	427.75	11.98	-32.30
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012055554	0	48	0.0	-40.64	386.31	9.70	-30.94
CN(C)C(=O)C1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055555	0	50	0.0	-39.62	404.78	8.91	-30.71
CCC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(Cl)=NN1	REAL300012055556	0	43	0.0	-42.85	370.67	7.19	-35.66
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012055557	0	44	0.0	-32.61	378.97	8.03	-24.58
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012055560	0	52	0.0	-39.06	403.97	10.18	-28.88
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012055561	0	55	0.0	-31.67	424.73	11.01	-20.66
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CN=C1F	REAL300012055565	0	42	0.0	-41.23	354.24	7.85	-33.38
CC1=CC(F)=NC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055566	0	42	0.0	-42.60	347.91	7.79	-34.81
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012055567	0	43	0.0	-49.56	372.04	10.04	-39.52
COC(=O)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012055568	0	49	0.0	-43.02	401.63	10.17	-32.85
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300012055569	0	47	0.0	-37.52	375.66	8.92	-28.60
CC1=C(Cl)C=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1Cl	REAL300012055570	0	43	0.0	-32.10	378.04	10.53	-21.57
N#CC1=CC=C(Br)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055571	0	41	0.0	-39.41	363.60	9.86	-29.55
CC1CC2=CC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=CC=C2O1	REAL300012055572	0	48	0.0	-39.32	387.68	9.55	-29.77
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012055573	0	43	0.0	-36.81	363.14	6.50	-30.31
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012055574	0	45	0.0	-32.69	366.54	8.79	-23.90
CSCC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055575	0	47	0.0	-39.94	398.72	10.96	-28.98
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012055576	0	50	0.0	-37.19	403.05	9.72	-27.47
CN1N=C2CCOCC2=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055577	1	48	0.0	-41.40	387.90	6.67	-34.73
CN1N=C2CCCC2=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055578	1	47	0.0	-40.35	378.48	8.51	-31.84
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012055579	1	47	0.0	-36.92	381.38	8.86	-28.06
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012055580	0	47	0.0	-42.21	379.55	8.79	-33.42
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055581	0	53	0.0	-34.34	434.99	10.63	-23.71
COC(=O)COC1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055582	0	50	0.0	-36.06	415.84	9.96	-26.10
COC1=CC=C(C)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055583	0	47	0.0	-39.29	375.08	8.87	-30.42
CN1C=NC2=CC=CC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=C21	REAL300012055584	0	46	0.0	-40.73	371.01	10.31	-30.42
CCC1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055585	0	46	0.0	-35.57	364.87	10.29	-25.28
CN(C)C(=O)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055586	0	50	0.0	-43.07	400.70	8.70	-34.37
CC1=CC(F)=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055587	0	43	0.0	-37.05	359.21	9.74	-27.31
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=C1C	REAL300012055588	0	49	0.0	-36.86	382.12	10.79	-26.07
CCNC(=O)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055589	0	50	0.0	-42.64	409.35	8.13	-34.51
CC(C)(C)C1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055590	0	52	0.0	-33.87	385.89	11.33	-22.54
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012055591	1	50	0.0	-35.42	386.87	9.37	-26.05
COC1=CC=C2SC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=CC2=C1	REAL300012055592	0	47	0.0	-40.91	398.32	9.82	-31.09
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055594	0	56	0.0	-42.71	443.86	10.79	-31.92
CCN1CCC2=CC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=CC=C21	REAL300012055595	0	52	0.0	-38.38	403.83	9.14	-29.24
CCN(C)C(=O)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055596	0	53	0.0	-42.66	424.26	9.85	-32.81
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=NN1C(C)C	REAL300012055597	0	49	0.0	-42.49	394.62	8.91	-33.58
CSC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300012055598	0	44	0.0	-37.69	386.02	10.44	-27.25
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012055599	0	50	0.0	-37.12	397.21	11.60	-25.52
CCOC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=N1	REAL300012055600	0	46	0.0	-38.88	381.55	6.71	-32.17
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1C1CC1	REAL300012055601	0	50	0.0	-37.39	397.23	11.60	-25.79
CC1=NN(C2=CC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])C(C)=C2)C=C1	REAL300012055602	0	53	0.0	-40.54	427.71	11.45	-29.09
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055603	0	50	0.0	-39.13	421.69	11.32	-27.81
CC1=NN(C2=CC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])C=C2)C=C1Cl	REAL300012055605	0	50	0.0	-41.52	429.51	11.35	-30.17
COC(=O)C1=CC2=C(C=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])O2)N1	REAL300012055606	1	47	0.0	-48.55	401.19	7.86	-40.69
CC1=NN(C(C)C)C(C)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055609	0	52	0.0	-40.99	415.89	9.39	-31.60
CCN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=N1	REAL300012055611	0	46	0.0	-37.47	374.76	8.23	-29.24
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012055612	0	40	0.0	-39.39	370.63	10.18	-29.21
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300012055613	0	56	0.0	-31.05	441.91	13.49	-17.56
CN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012055614	0	47	0.0	-38.41	387.48	9.05	-29.36
COC(=O)C1=C2COCCN2C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055616	0	52	0.0	-40.22	426.00	8.42	-31.80
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012055617	0	57	0.0	-43.50	446.19	10.93	-32.57
CN1N=C(C2CC2)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055618	1	47	0.0	-38.02	383.72	8.66	-29.36
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055619	0	50	0.0	-42.24	402.11	11.99	-30.25
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012055621	0	44	0.0	-32.12	388.82	7.99	-24.13
COC1=NC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1F	REAL300012055623	0	43	0.0	-34.51	364.06	5.76	-28.75
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012055624	0	40	0.0	-32.60	363.28	9.93	-22.67
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012055625	1	40	0.0	-47.12	348.77	8.97	-38.15
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012055626	1	52	0.0	-38.68	414.74	10.53	-28.15
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012055629	0	60	0.0	-42.08	454.51	9.99	-32.09
CC1=CC(Br)=CN=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055630	0	42	0.0	-31.10	362.92	8.23	-22.87
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012055631	0	46	0.0	-41.26	404.67	6.89	-34.37
CC1OC2=CC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])C=C2C1C	REAL300012055632	0	51	0.0	-40.15	405.99	10.17	-29.98
CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OC(F)F	REAL300012055633	0	47	0.0	-36.82	391.94	9.39	-27.43
CC(C)CC1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055634	0	52	0.0	-35.43	402.34	11.49	-23.94
CN1N=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012055635	1	46	0.0	-45.81	385.03	4.41	-41.40
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012055636	0	43	0.0	-40.76	369.09	6.95	-33.81
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012055639	0	40	0.0	-41.81	353.66	6.40	-35.41
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012055640	0	45	0.0	-37.33	367.24	8.84	-28.49
CSC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055643	0	44	0.0	-36.00	371.01	9.98	-26.02
CC(C)C1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])N(C)N=C1	REAL300012055644	1	49	0.0	-38.78	393.90	8.54	-30.24
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC(C)=N1	REAL300012055645	0	45	0.0	-40.06	369.49	8.46	-31.60
CN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012055647	0	50	0.0	-36.61	417.99	10.29	-26.32
CCCN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=N1	REAL300012055648	0	49	0.0	-37.20	396.26	8.99	-28.21
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012055650	1	42	0.0	-43.29	353.42	7.69	-35.60
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012055652	0	47	0.0	-38.51	396.59	11.24	-27.27
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012055653	0	48	0.0	-40.47	391.93	9.96	-30.51
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012055654	0	44	0.0	-34.54	384.15	8.87	-25.67
CC1=NC=CN1C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300012055655	0	53	0.0	-42.34	425.96	12.09	-30.25
CC1=C(C)N(C2=CC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])C=C2)C=N1	REAL300012055656	0	53	0.0	-43.82	428.53	12.58	-31.24
CNC(=O)C1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055657	0	47	0.0	-39.31	387.27	7.24	-32.07
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012055658	0	54	0.0	-36.69	425.74	13.00	-23.69
CCNC(=O)C1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055660	0	50	0.0	-39.74	410.57	8.18	-31.56
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012055661	1	46	0.0	-42.40	386.44	10.26	-32.14
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012055662	1	47	0.0	-39.96	378.50	7.91	-32.05
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055663	1	50	0.0	-40.16	412.68	10.20	-29.96
CC(C)(C)C1=CN=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055666	0	51	0.0	-38.25	404.01	9.57	-28.68
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012055667	0	43	0.0	-47.29	373.07	8.03	-39.26
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012055668	0	50	0.0	-34.20	404.09	11.04	-23.16
COC1=NC(Cl)=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055670	0	43	0.0	-33.91	374.02	6.19	-27.72
CN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012055671	0	43	0.0	-33.25	368.17	7.78	-25.47
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012055672	0	43	0.0	-35.06	369.97	9.94	-25.12
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012055673	0	48	0.0	-37.47	378.11	9.00	-28.47
CCOC1=CC=C(Cl)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055674	0	47	0.0	-35.41	399.32	9.86	-25.55
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012055677	0	47	0.0	-36.63	395.40	8.98	-27.65
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012055679	0	42	0.0	-47.62	366.01	9.74	-37.88
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012055680	0	53	0.0	-41.04	415.44	10.02	-31.02
CN(CCO)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300012055682	0	51	0.0	-40.86	410.37	6.54	-34.32
COC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012055683	0	56	0.0	-32.86	426.28	10.81	-22.05
COC1=CC(C)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300012055685	0	46	0.0	-40.30	373.67	6.32	-33.98
COC1=CC(C)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1O	REAL300012055686	0	48	0.0	-41.70	386.44	6.74	-34.96
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012055687	0	46	0.0	-55.62	389.36	8.19	-47.43
CN1C(=O)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012055688	0	49	0.0	-53.34	399.09	9.84	-43.50
CCCN1C=NC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055690	1	46	0.0	-34.82	369.07	9.85	-24.97
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CNC1=O	REAL300012055691	0	40	0.0	-53.35	335.00	5.92	-47.43
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012055692	0	47	0.0	-42.43	387.90	8.92	-33.51
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012055693	0	53	0.0	-37.54	422.50	12.52	-25.02
CCC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=NN1CC	REAL300012055694	0	49	0.0	-39.66	390.75	8.92	-30.74
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012055695	0	40	0.0	-36.47	359.41	9.62	-26.85
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012055696	1	44	0.0	-40.21	363.00	7.46	-32.75
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012055697	0	44	0.0	-40.65	374.97	8.55	-32.10
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012055699	0	43	0.0	-43.26	370.43	8.78	-34.48
CC(F)(F)C1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055700	0	46	0.0	-36.53	384.00	10.49	-26.04
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012055701	0	46	0.0	-38.97	393.72	9.75	-29.22
CN1C=C(C2=NNC=C2C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300012055702	0	47	0.0	-36.38	391.77	6.70	-29.68
CCCN1N=C(C)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1Cl	REAL300012055703	0	49	0.0	-33.68	412.84	9.27	-24.41
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012055705	0	40	0.0	-43.41	348.64	9.19	-34.22
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012055706	0	47	0.0	-39.13	396.96	11.43	-27.70
CC(C)(C)C1=NNC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055707	1	49	0.0	-39.73	393.37	7.83	-31.90
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012055708	0	46	0.0	-36.69	389.06	11.64	-25.05
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012055709	0	57	0.0	-32.69	440.89	11.83	-20.86
C=CCC1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055710	0	47	0.0	-35.61	378.47	10.87	-24.74
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012055711	0	60	0.0	-36.66	462.79	12.57	-24.09
CCN1CCCC2=CC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=CC=C21	REAL300012055712	0	55	0.0	-38.26	421.53	10.20	-28.06
COCC1=CN=C(OC)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055713	0	50	0.0	-40.90	410.68	5.51	-35.39
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012055715	0	44	0.0	-39.06	363.65	10.36	-28.70
COCC1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055717	0	47	0.0	-36.69	377.77	8.84	-27.85
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012055718	0	44	0.0	-38.70	389.00	10.52	-28.18
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012055719	0	53	0.0	-40.95	423.99	9.64	-31.31
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012055720	0	48	0.0	-39.85	386.31	9.16	-30.69
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012055721	0	44	0.0	-39.57	366.56	4.29	-35.28
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012055722	0	46	0.0	-42.04	393.15	11.20	-30.84
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012055723	1	46	0.0	-42.14	385.41	7.14	-35.00
COC1=CC=C(F)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1OC	REAL300012055724	0	48	0.0	-36.91	396.96	8.37	-28.54
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012055725	0	43	0.0	-41.45	356.85	8.49	-32.96
CN1C=CC(C2=NNC=C2C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=N1	REAL300012055726	0	47	0.0	-33.30	391.10	7.02	-26.28
CC1=CC=C(F)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1Br	REAL300012055727	0	43	0.0	-32.32	369.19	9.96	-22.36
C=CC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055728	0	44	0.0	-38.22	362.51	10.09	-28.13
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012055729	0	54	0.0	-36.84	432.20	11.42	-25.42
CC(F)(F)C1=CC=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055730	0	46	0.0	-42.35	373.17	10.60	-31.75
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC=C1OCCO	REAL300012055731	0	52	0.0	-45.00	423.36	6.04	-38.96
CCN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012055732	0	50	0.0	-38.00	408.98	9.91	-28.09
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1OCCO	REAL300012055733	0	52	0.0	-44.71	422.77	6.01	-38.70
CN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012055734	0	50	0.0	-35.61	416.08	7.94	-27.67
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012055736	0	45	0.0	-42.68	373.60	9.54	-33.14
CC1=CC2=CC=CC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=C2O1	REAL300012055737	0	46	0.0	-33.19	380.02	10.12	-23.07
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012055738	0	43	0.0	-46.82	366.43	10.16	-36.66
COC1=CSC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1OC	REAL300012055739	1	45	0.0	-34.80	385.37	7.10	-27.70
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012055743	0	43	0.0	-34.93	376.90	10.09	-24.84
CC(C)OC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300012055744	0	50	0.0	-39.70	408.11	9.99	-29.71
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012055746	0	40	0.0	-47.31	359.20	9.66	-37.65
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012055747	0	43	0.0	-36.66	364.95	9.90	-26.76
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012055748	0	46	0.0	-33.42	381.91	11.26	-22.16
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012055750	0	37	0.0	-40.30	338.41	8.56	-31.74
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012055751	0	50	0.0	-42.52	400.31	9.55	-32.97
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012055752	0	47	0.0	-41.22	406.36	10.70	-30.52
CC1=NN(C2CCCC2)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055753	1	53	0.0	-36.91	420.28	10.13	-26.78
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012055754	0	43	0.0	-40.14	362.29	7.81	-32.33
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055755	0	50	0.0	-42.20	412.01	9.74	-32.46
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012055756	0	43	0.0	-45.18	372.29	10.41	-34.77
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012055757	1	39	0.0	-36.61	344.38	7.56	-29.05
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012055758	0	47	0.0	-41.47	396.03	10.25	-31.22
CN(C)C1=CN=CC(F)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055759	0	47	0.0	-32.49	384.63	7.07	-25.42
COC1=NC(C)=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=C1Cl	REAL300012055760	0	49	0.0	-38.92	406.88	7.29	-31.63
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055765	0	56	0.0	-36.56	435.11	10.60	-25.96
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012055766	0	51	0.0	-41.68	406.21	7.62	-34.06
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055767	0	54	0.0	-39.03	427.69	8.29	-30.74
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012055773	0	55	0.0	-44.52	437.54	8.51	-36.01
CC1=NN(C2CCCC2)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055774	0	53	0.0	-37.58	417.94	10.09	-27.49
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012055775	0	43	0.0	-38.73	354.48	9.95	-28.78
CC1=CC(Br)=C(F)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055776	0	43	0.0	-43.34	377.95	10.32	-33.02
COC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1Br	REAL300012055777	0	44	0.0	-31.43	376.29	8.89	-22.54
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012055778	0	43	0.0	-41.55	357.04	7.68	-33.87
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012055779	0	40	0.0	-47.45	358.42	9.62	-37.83
CC1=C(F)C=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055780	0	43	0.0	-36.97	353.32	9.66	-27.31
CN1C=C(C2=CC=CC(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])=C2)C=N1	REAL300012055781	0	50	0.0	-41.85	412.73	10.36	-31.49
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012055782	0	50	0.0	-48.84	419.17	11.47	-37.37
CC1=CC=C(Br)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055783	0	43	0.0	-39.58	368.71	10.30	-29.28
COC1=C(C#N)C=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055784	0	45	0.0	-36.26	381.14	8.80	-27.46
COC1=NC2=CC=C(C[NH2+][C@@H](COCC3=CC=CC=C3)C(=O)[O-])C=C2S1	REAL300012055785	0	46	0.0	-43.53	397.01	6.89	-36.64
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012055786	0	39	0.0	-39.90	348.95	7.80	-32.10
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012055787	0	40	0.0	-38.54	362.55	9.94	-28.60
CC1=NC(Cl)=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055788	0	42	0.0	-38.79	358.21	8.14	-30.65
CC(C)(C)COC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055789	0	56	0.0	-35.77	442.58	11.31	-24.46
COC1=CC(Cl)=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055790	0	44	0.0	-38.61	377.03	8.78	-29.83
COC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CC(F)=C1F	REAL300012055791	0	44	0.0	-41.53	372.82	8.40	-33.13
COC1=CC(C)=NC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055792	0	46	0.0	-35.75	376.00	7.16	-28.59
CN1N=CC=C1C1=NNC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055794	0	47	0.0	-36.10	394.50	6.71	-29.39
COC(=O)C1=C(C)NC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012055796	0	50	0.0	-41.33	415.32	8.81	-32.52
CC1=CC(Br)=CC(C)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055798	0	46	0.0	-34.87	383.20	10.57	-24.30
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012055799	0	41	0.0	-33.04	364.27	6.70	-26.34
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012055800	0	43	0.0	-34.38	372.68	8.14	-26.24
N#CC1=CC(F)=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055801	0	41	0.0	-45.26	359.87	9.52	-35.74
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012055802	0	56	0.0	-37.69	434.45	12.88	-24.81
COC1=CC=CC=C1C=CC[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055803	0	48	0.0	-38.17	390.21	9.62	-28.55
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])SC(Br)=C1	REAL300012055804	1	40	0.0	-39.25	362.98	9.48	-29.77
CC1=NN(C2CCC2)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055805	0	50	0.0	-37.86	400.43	9.42	-28.44
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012055806	0	46	0.0	-46.96	387.15	8.48	-38.48
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012055807	0	48	0.0	-42.95	401.79	9.41	-33.54
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055809	1	47	0.0	-38.89	394.70	8.26	-30.63
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012055810	0	53	0.0	-39.27	434.18	13.47	-25.80
CCCCC(=O)NC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055811	0	56	0.0	-41.60	451.06	10.26	-31.34
COC1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=N1	REAL300012055812	0	46	0.0	-38.16	372.90	6.26	-31.90
CCN(C)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300012055813	0	54	0.0	-36.60	419.47	10.97	-25.63
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012055814	0	39	0.0	-38.67	357.03	8.18	-30.49
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055816	1	61	0.0	-33.89	460.32	11.18	-22.71
COC1=CC(C)=CC(OC)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055818	0	51	0.0	-35.85	410.33	8.45	-27.40
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012055819	0	43	0.0	-39.57	358.77	9.79	-29.78
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012055820	0	43	0.0	-39.08	367.71	10.34	-28.74
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012055821	0	49	0.0	-41.90	400.80	10.67	-31.23
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1CO	REAL300012055822	0	44	0.0	-38.95	356.73	6.50	-32.45
CC1=NSC(C)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055823	1	42	0.0	-39.10	355.16	7.91	-31.19
CC1=CC=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1C(F)(F)F	REAL300012055825	0	46	0.0	-29.96	375.12	10.55	-19.41
C=CCN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300012055826	0	44	0.0	-38.63	369.75	8.30	-30.33
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012055827	0	43	0.0	-40.94	358.85	7.78	-33.16
CCC(C)C1=CC=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012055828	0	52	0.0	-37.84	411.28	11.66	-26.18
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012055829	0	45	0.0	-36.26	396.44	9.37	-26.89
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012055830	0	47	0.0	-43.19	390.16	7.59	-35.60
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012055833	0	50	0.0	-36.01	386.17	11.33	-24.68
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055834	0	47	0.0	-41.67	392.47	10.96	-30.71
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012055835	0	43	0.0	-33.54	374.29	9.98	-23.56
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012055836	0	46	0.0	-44.67	383.76	8.92	-35.75
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012055837	0	49	0.0	-38.54	389.58	11.82	-26.72
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055838	1	58	0.0	-36.85	457.79	10.71	-26.14
COC1=C2C=CNC2=CC=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055839	0	48	0.0	-34.22	392.32	8.42	-25.80
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012055841	0	53	0.0	-38.87	419.81	6.10	-32.77
COC1=CC=C(OC)C(OC)=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055842	0	52	0.0	-35.30	419.79	7.69	-27.61
CCCN1N=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012055843	0	49	0.0	-41.81	395.47	8.83	-32.98
O=C([O-])[C@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012055844	0	57	0.0	-33.67	439.69	10.83	-22.84
CC1=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012055845	0	48	0.0	-41.74	388.35	10.15	-31.59
CC1=CC(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012055846	0	49	0.0	-43.30	402.93	10.31	-32.99
COC(=O)C1=CN(C)C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012055847	0	47	0.0	-38.21	393.11	9.12	-29.09
CCCN1N=C(C)C=C1C[NH2+][C@@H](COCC1=CC=CC=C1)C(=O)[O-]	REAL300012055848	1	49	0.0	-36.06	392.53	8.87	-27.19
CN1C=C(C[NH2+][C@@H](COCC2=CC=CC=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012055849	0	50	0.0	-38.31	403.79	9.49	-28.82
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300012055851	0	42	0.0	-27.70	335.44	10.91	-16.79
CC1=CC=C(C)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012055852	0	42	0.0	-27.44	335.47	10.91	-16.53
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012055853	0	41	0.0	-35.12	343.65	10.08	-25.04
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012055854	0	48	0.0	-28.80	377.44	12.00	-16.80
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012055855	0	43	0.0	-31.36	355.64	9.44	-21.92
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012055856	0	33	0.0	-32.42	302.81	8.51	-23.91
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012055857	0	46	0.0	-33.26	380.98	11.52	-21.74
N#CCCN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012055858	0	50	0.0	-32.83	424.42	12.24	-20.59
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012055859	0	44	0.0	-34.49	369.71	9.16	-25.33
CCOC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1OC	REAL300012055860	0	47	0.0	-32.84	383.13	9.84	-23.00
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012055861	0	50	0.0	-31.43	411.09	13.03	-18.40
CCCCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012055862	0	52	0.0	-30.72	417.09	12.27	-18.45
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012055863	0	45	0.0	-41.73	388.81	12.20	-29.53
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012055864	0	45	0.0	-38.89	390.96	12.28	-26.61
CC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1C	REAL300012055865	0	42	0.0	-27.72	333.14	10.79	-16.93
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1C	REAL300012055866	0	42	0.0	-29.49	340.95	10.93	-18.56
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1Br	REAL300012055867	0	40	0.0	-31.26	352.45	9.69	-21.57
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012055868	0	46	0.0	-25.36	368.09	10.55	-14.81
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC	REAL300012055869	0	53	0.0	-32.58	426.13	11.42	-21.16
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC	REAL300012055870	0	50	0.0	-32.12	403.31	10.60	-21.52
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC	REAL300012055871	0	48	0.0	-32.48	394.71	10.38	-22.10
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012055872	0	43	0.0	-33.79	379.50	12.13	-21.66
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012055873	0	43	0.0	-35.41	379.66	12.17	-23.24
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012055874	0	43	0.0	-31.91	385.78	12.98	-18.93
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012055875	0	46	0.0	-35.27	385.48	11.35	-23.92
CCC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012055876	0	45	0.0	-27.26	369.97	11.55	-15.71
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012055877	0	45	0.0	-35.56	385.58	12.86	-22.70
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012055878	0	42	0.0	-34.09	373.78	10.58	-23.51
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012055879	0	40	0.0	-25.95	345.78	9.54	-16.41
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012055880	0	40	0.0	-30.85	358.96	11.19	-19.66
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012055881	0	43	0.0	-27.32	361.21	7.38	-19.94
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(Cl)=C1	REAL300012055882	0	40	0.0	-25.59	342.55	9.38	-16.21
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012055883	0	40	0.0	-30.67	347.24	9.47	-21.20
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012055884	0	43	0.0	-31.87	360.17	9.44	-22.43
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012055885	0	46	0.0	-28.24	380.36	10.23	-18.01
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012055886	0	40	0.0	-26.32	341.34	8.69	-17.63
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012055887	0	47	0.0	-28.66	386.21	8.79	-19.87
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012055888	0	39	0.0	-29.77	338.99	11.09	-18.68
CCOC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012055889	0	55	0.0	-30.19	437.23	10.24	-19.95
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012055890	0	42	0.0	-31.35	348.63	10.21	-21.14
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])O2)C=C1	REAL300012055891	0	46	0.0	-32.77	382.02	12.21	-20.56
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300012055892	0	43	0.0	-26.68	350.59	8.38	-18.30
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012055893	0	42	0.0	-36.21	353.18	7.74	-28.47
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012055894	0	49	0.0	-30.79	402.87	8.69	-22.10
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012055895	0	51	0.0	-32.67	409.57	10.29	-22.38
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012055896	0	33	0.0	-31.13	308.48	9.41	-21.72
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012055897	0	43	0.0	-33.03	376.78	12.57	-20.46
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012055898	0	41	0.0	-26.09	341.00	10.21	-15.88
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012055899	0	49	0.0	-27.66	403.04	11.29	-16.37
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012055900	0	45	0.0	-33.63	372.08	8.69	-24.94
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012055901	0	43	0.0	-36.98	360.92	10.93	-26.05
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012055902	0	42	0.0	-38.55	354.53	12.21	-26.34
CC(C)N1N=CC2=CC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=C(Cl)N=C21	REAL300012055903	0	47	0.0	-35.54	400.06	10.80	-24.74
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012055904	0	43	0.0	-30.32	385.98	12.98	-17.34
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012055905	0	43	0.0	-31.45	379.74	12.68	-18.77
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012055906	0	36	0.0	-28.55	314.50	9.81	-18.74
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012055907	0	39	0.0	-27.89	353.15	11.19	-16.70
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012055908	0	36	0.0	-30.57	318.09	10.12	-20.45
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012055909	0	36	0.0	-31.38	323.80	10.24	-21.14
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012055910	0	39	0.0	-36.41	345.57	10.72	-25.69
CCOC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012055911	0	43	0.0	-29.43	353.89	9.95	-19.48
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1F	REAL300012055912	0	39	0.0	-32.58	327.93	10.39	-22.19
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012055913	0	36	0.0	-26.61	331.96	10.68	-15.93
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012055914	0	39	0.0	-35.49	336.19	10.80	-24.69
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012055915	0	36	0.0	-35.23	320.24	9.87	-25.36
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012055916	0	39	0.0	-32.59	347.66	10.78	-21.81
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012055917	0	39	0.0	-28.87	344.49	10.72	-18.15
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(Cl)=C1OC	REAL300012055918	0	44	0.0	-27.70	375.81	9.46	-18.24
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012055919	0	39	0.0	-28.77	339.95	11.26	-17.51
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012055920	0	36	0.0	-32.03	325.12	10.29	-21.74
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012055921	0	40	0.0	-29.46	357.15	9.87	-19.59
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012055922	0	43	0.0	-32.61	384.95	12.93	-19.68
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012055923	0	46	0.0	-42.77	381.15	8.31	-34.46
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012055924	0	35	0.0	-27.16	309.52	8.34	-18.82
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012055925	0	49	0.0	-34.66	407.39	11.20	-23.46
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012055926	0	45	0.0	-32.50	366.96	9.34	-23.16
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012055927	0	45	0.0	-26.49	379.91	9.59	-16.90
COCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012055928	0	47	0.0	-31.28	387.51	9.22	-22.06
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1Cl	REAL300012055929	0	40	0.0	-31.42	348.06	9.57	-21.85
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012055930	0	41	0.0	-38.03	360.63	8.57	-29.46
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012055931	0	48	0.0	-26.39	380.77	11.20	-15.19
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300012055932	0	52	0.0	-35.50	420.68	9.65	-25.85
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012055933	0	43	0.0	-31.37	372.14	10.37	-21.00
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012055934	0	42	0.0	-32.01	345.43	8.94	-23.07
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012055935	0	45	0.0	-27.22	364.13	9.72	-17.50
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012055936	0	48	0.0	-25.65	387.08	11.75	-13.90
CCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012055937	0	46	0.0	-28.32	373.23	10.67	-17.65
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012055938	0	43	0.0	-29.74	368.61	12.31	-17.43
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012055939	0	50	0.0	-29.11	396.63	11.92	-17.19
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012055940	0	46	0.0	-30.21	371.81	10.57	-19.64
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012055941	0	49	0.0	-35.25	405.85	12.14	-23.11
CC1=CC=C(C2=NC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CS2)C=C1	REAL300012055942	0	45	0.0	-26.70	387.49	11.14	-15.56
CC(C)C1=NC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CS1	REAL300012055943	0	41	0.0	-32.51	350.29	8.75	-23.76
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012055944	0	50	0.0	-30.23	415.35	13.09	-17.14
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012055945	0	46	0.0	-35.37	398.96	10.02	-25.35
CC(C)(C)C1=NC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CS1	REAL300012055946	0	44	0.0	-26.48	369.27	9.26	-17.22
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012055947	0	39	0.0	-32.37	356.25	9.37	-23.00
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012055948	0	43	0.0	-34.56	376.78	12.57	-21.99
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012055949	0	50	0.0	-31.95	406.39	10.51	-21.44
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012055950	0	50	0.0	-29.63	393.91	11.94	-17.69
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])S2)C=C1	REAL300012055951	0	46	0.0	-32.04	391.78	13.18	-18.86
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012055952	0	42	0.0	-34.88	367.31	9.98	-24.90
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012055953	0	40	0.0	-26.07	362.62	10.07	-16.00
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012055954	0	36	0.0	-26.59	336.52	10.78	-15.81
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012055955	0	36	0.0	-25.96	335.54	10.77	-15.19
CCOC1=C(OC)C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC	REAL300012055956	0	51	0.0	-33.98	415.00	9.74	-24.24
COCCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012055957	0	50	0.0	-30.59	407.74	9.78	-20.81
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CN=C1Cl	REAL300012055958	0	38	0.0	-32.41	333.03	8.95	-23.46
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012055959	0	44	0.0	-29.60	368.57	8.59	-21.01
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012055960	0	40	0.0	-27.81	351.54	9.67	-18.14
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012055961	0	49	0.0	-34.37	405.72	11.43	-22.94
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])S2)C=C1	REAL300012055962	0	45	0.0	-30.10	387.67	11.38	-18.72
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012055963	0	41	0.0	-27.30	359.00	10.76	-16.54
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012055964	0	41	0.0	-32.88	347.95	10.30	-22.58
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012055965	0	41	0.0	-27.81	348.69	10.32	-17.49
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012055966	0	41	0.0	-31.68	355.49	10.64	-21.04
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012055967	0	43	0.0	-34.99	375.10	11.70	-23.29
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300012055968	0	46	0.0	-32.87	387.57	12.28	-20.59
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])O2)C=C1	REAL300012055969	0	49	0.0	-33.43	405.66	13.05	-20.38
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(OC(F)F)=C1	REAL300012055970	0	44	0.0	-29.33	367.73	8.57	-20.76
COC1=CC=C2OC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CC2=C1	REAL300012055971	0	43	0.0	-34.46	359.88	9.53	-24.93
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012055972	0	40	0.0	-34.15	350.34	11.54	-22.61
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012055973	0	42	0.0	-27.57	348.47	10.78	-16.79
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012055974	0	39	0.0	-32.11	329.16	10.05	-22.06
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012055975	0	44	0.0	-34.07	369.29	11.48	-22.59
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1Br	REAL300012055976	0	39	0.0	-32.07	342.03	10.91	-21.16
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012055977	0	40	0.0	-38.15	345.52	11.11	-27.04
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1Br	REAL300012055978	0	39	0.0	-30.93	342.06	10.91	-20.02
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012055979	0	43	0.0	-28.82	360.13	10.81	-18.01
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012055980	0	33	0.0	-28.34	305.37	9.23	-19.11
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012055981	0	41	0.0	-30.69	355.06	10.07	-20.62
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012055982	0	40	0.0	-31.62	340.96	9.74	-21.88
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012055983	0	40	0.0	-32.05	338.67	9.66	-22.39
CCOC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300012055984	0	42	0.0	-33.53	350.23	7.27	-26.26
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012055985	0	44	0.0	-34.60	363.77	10.91	-23.69
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1Cl	REAL300012055986	0	39	0.0	-30.41	336.72	10.78	-19.63
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012055987	0	38	0.0	-32.75	333.12	9.16	-23.59
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])O2)C=C1	REAL300012055988	0	55	0.0	-32.34	436.73	13.85	-18.49
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012055989	0	56	0.0	-27.10	431.43	12.64	-14.46
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012055990	0	56	0.0	-27.33	444.37	12.81	-14.52
CCCC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012055991	0	45	0.0	-29.12	366.92	11.93	-17.19
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012055992	0	54	0.0	-31.29	437.38	14.49	-16.80
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1F	REAL300012055993	0	50	0.0	-30.42	400.48	10.74	-19.68
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C(SC)C=C1OC	REAL300012055994	0	48	0.0	-27.84	394.70	9.77	-18.07
COC1=CC=C2N=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])SC2=C1	REAL300012055995	0	42	0.0	-31.95	362.89	8.48	-23.47
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012055996	0	42	0.0	-27.27	364.35	10.53	-16.74
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1C#N	REAL300012055997	0	41	0.0	-35.96	350.92	9.39	-26.57
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012055998	0	40	0.0	-30.85	351.06	10.95	-19.90
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012055999	0	42	0.0	-26.71	348.21	11.14	-15.57
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012056000	0	40	0.0	-33.50	346.69	9.33	-24.17
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])N=C1	REAL300012056001	0	42	0.0	-33.69	348.94	8.09	-25.60
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056002	0	42	0.0	-30.41	353.10	11.26	-19.15
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012056003	0	44	0.0	-32.17	379.07	9.48	-22.69
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OCC(C)C	REAL300012056004	0	53	0.0	-33.32	424.74	11.32	-22.00
CCCOC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1OC	REAL300012056005	0	50	0.0	-32.49	404.63	10.64	-21.85
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Br)S1	REAL300012056006	0	33	0.0	-31.16	313.11	9.51	-21.65
CCOC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012056007	0	47	0.0	-32.72	403.08	10.48	-22.24
C=CCOC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056008	0	44	0.0	-29.52	366.79	10.54	-18.98
COC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1OC(C)C	REAL300012056009	0	50	0.0	-25.88	399.23	10.71	-15.17
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC	REAL300012056010	0	47	0.0	-32.02	400.93	10.44	-21.58
CCCOC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=CC=C1OCC	REAL300012056011	0	53	0.0	-26.38	426.53	11.64	-14.74
CCCCOC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1OC	REAL300012056012	0	53	0.0	-32.59	423.97	11.35	-21.24
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC(F)F	REAL300012056013	0	44	0.0	-36.49	371.03	9.21	-27.28
CCOC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012056014	0	47	0.0	-32.75	390.73	10.04	-22.71
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012056015	0	46	0.0	-32.14	379.79	10.74	-21.40
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-])OC(C)C2	REAL300012056016	0	51	0.0	-29.21	409.52	10.61	-18.60
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012056017	0	46	0.0	-35.47	376.26	8.75	-26.72
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012056018	0	45	0.0	-39.48	394.86	11.07	-28.41
CCCCN1N=C(C)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1Cl	REAL300012056019	0	48	0.0	-29.48	405.52	10.77	-18.71
CCOC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1OC(F)F	REAL300012056020	0	47	0.0	-28.46	390.05	10.16	-18.30
CC1=CC(C)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1C	REAL300012056021	0	45	0.0	-28.05	355.78	11.53	-16.52
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012056022	0	43	0.0	-31.48	369.06	12.46	-19.02
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC	REAL300012056023	0	50	0.0	-31.31	422.43	11.24	-20.07
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012056024	0	43	0.0	-33.65	377.52	11.79	-21.86
CC(C)(C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012056025	0	45	0.0	-30.94	349.27	11.38	-19.56
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012056026	0	52	0.0	-29.79	409.37	11.26	-18.53
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056027	0	48	0.0	-33.16	380.22	12.56	-20.60
CCC1CCCC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012056028	0	48	0.0	-30.25	362.60	11.30	-18.95
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-])=N2	REAL300012056029	0	48	0.0	-30.49	385.53	10.33	-20.16
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056030	0	42	0.0	-24.18	348.65	11.23	-12.95
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CC2=C1	REAL300012056031	0	45	0.0	-33.90	368.70	11.45	-22.45
CCCC1CCC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012056032	0	51	0.0	-30.39	381.94	11.97	-18.42
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012056033	0	43	0.0	-32.21	374.42	10.03	-22.18
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012056034	0	43	0.0	-35.72	357.20	12.07	-23.65
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012056035	0	43	0.0	-36.17	369.04	11.65	-24.52
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012056036	0	42	0.0	-32.79	361.71	9.37	-23.42
CCCCC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012056037	0	51	0.0	-27.16	414.11	13.12	-14.04
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012056038	0	49	0.0	-37.05	408.11	14.35	-22.70
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056039	0	49	0.0	-29.69	403.97	11.83	-17.86
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012056040	0	45	0.0	-34.96	381.41	10.20	-24.76
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056041	0	43	0.0	-26.73	352.08	9.74	-16.99
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1F	REAL300012056042	0	40	0.0	-32.65	338.26	9.10	-23.55
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012056043	0	45	0.0	-35.81	348.66	10.54	-25.27
CC(C)C1CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])CCO1	REAL300012056044	0	49	0.0	-34.34	373.64	9.76	-24.58
CC1(C)CCC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012056045	0	48	0.0	-31.43	357.55	10.93	-20.50
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012056046	0	43	0.0	-34.78	378.36	10.45	-24.33
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012056047	0	42	0.0	-39.88	378.95	10.31	-29.57
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012056048	0	42	0.0	-30.06	376.74	10.08	-19.98
CCSC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056049	0	43	0.0	-29.06	364.21	11.58	-17.48
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012056050	1	37	0.0	-26.99	332.41	7.40	-19.59
COC1(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])CCCCC1	REAL300012056051	0	46	0.0	-25.84	343.40	8.99	-16.85
CCN1N=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012056052	0	45	0.0	-32.34	374.28	10.51	-21.83
COCCC1(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])CCCCC1	REAL300012056053	0	52	0.0	-29.68	379.59	9.88	-19.80
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012056054	0	33	0.0	-30.10	328.10	9.95	-20.15
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056055	0	46	0.0	-30.68	374.10	10.71	-19.97
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012056056	0	39	0.0	-28.90	329.12	10.21	-18.69
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012056057	0	43	0.0	-32.85	360.62	11.54	-21.31
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012056058	0	50	0.0	-32.62	401.05	10.46	-22.16
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OCC	REAL300012056059	0	53	0.0	-32.56	424.33	11.48	-21.08
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012056060	0	41	0.0	-33.10	344.58	10.84	-22.26
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056061	0	46	0.0	-30.09	370.52	10.52	-19.57
CCCCCCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056062	0	58	0.0	-30.55	460.09	13.83	-16.72
CC(C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012056063	0	57	0.0	-31.66	435.50	14.08	-17.58
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1F	REAL300012056064	0	39	0.0	-31.70	329.29	10.42	-21.28
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012056065	0	40	0.0	-29.05	332.56	9.68	-19.37
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Br)C=CS1	REAL300012056066	0	33	0.0	-25.62	310.88	9.32	-16.30
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012056067	0	49	0.0	-29.07	385.76	9.24	-19.83
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012056068	0	36	0.0	-26.54	325.22	10.33	-16.21
CC(C)CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056069	0	48	0.0	-28.77	382.39	12.37	-16.40
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=C2)C=C1	REAL300012056070	0	49	0.0	-30.80	395.99	13.73	-17.07
COC1=CC=C(Br)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056071	0	40	0.0	-27.90	344.48	9.54	-18.36
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012056072	0	42	0.0	-43.42	355.90	10.38	-33.04
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012056073	0	36	0.0	-30.43	334.67	10.69	-19.74
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012056074	0	36	0.0	-30.92	324.35	10.26	-20.66
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056075	0	42	0.0	-26.15	329.78	10.60	-15.55
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012056076	0	33	0.0	-30.04	305.02	8.49	-21.55
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056077	0	49	0.0	-31.47	397.31	13.76	-17.71
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012056078	0	40	0.0	-32.17	341.79	9.29	-22.88
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OCC	REAL300012056079	0	50	0.0	-33.68	404.99	10.76	-22.92
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012056080	0	36	0.0	-33.53	324.86	10.26	-23.27
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012056081	0	39	0.0	-36.13	354.46	11.14	-24.99
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012056082	0	36	0.0	-29.78	320.08	10.19	-19.59
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012056083	0	40	0.0	-30.47	348.53	9.52	-20.95
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012056084	0	36	0.0	-27.38	323.50	10.22	-17.16
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056085	0	50	0.0	-31.80	410.78	12.79	-19.01
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012056086	0	36	0.0	-31.64	314.03	9.82	-21.82
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012056087	0	36	0.0	-27.69	324.28	10.24	-17.45
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C2=CC=CC=C12	REAL300012056088	0	46	0.0	-28.69	370.53	11.17	-17.52
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012056089	0	43	0.0	-28.91	357.56	9.56	-19.35
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012056089	1	43	0.0	-28.11	360.94	9.62	-18.49
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012056090	0	36	0.0	-28.37	314.39	9.81	-18.56
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056091	0	42	0.0	-28.16	348.94	10.08	-18.08
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300012056092	0	39	0.0	-32.27	329.61	6.42	-25.85
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(Br)=C1O	REAL300012056093	0	41	0.0	-27.66	356.79	7.40	-20.26
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012056094	0	41	0.0	-31.99	338.46	9.58	-22.41
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC(Br)=C1	REAL300012056095	0	33	0.0	-29.55	314.18	9.40	-20.15
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012056096	0	46	0.0	-29.60	374.58	13.05	-16.55
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012056097	0	49	0.0	-28.68	401.02	11.06	-17.62
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012056098	0	47	0.0	-32.24	375.13	9.59	-22.65
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012056099	0	40	0.0	-28.86	333.70	9.74	-19.12
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056100	0	39	0.0	-29.65	320.43	10.31	-19.34
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012056101	0	36	0.0	-31.93	329.54	10.39	-21.54
CC1=NC(C)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056102	0	38	0.0	-29.52	327.07	8.15	-21.37
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012056103	0	45	0.0	-30.29	374.29	11.60	-18.69
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012056104	0	45	0.0	-34.18	370.47	11.32	-22.86
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012056105	0	45	0.0	-33.08	369.78	11.30	-21.78
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056106	0	51	0.0	-28.25	394.64	10.21	-18.04
CN1CCN(C2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=C2)CC1	REAL300012056107	1	53	0.0	-29.92	409.60	8.35	-21.57
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012056108	0	45	0.0	-34.77	383.90	8.22	-26.55
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056109	0	43	0.0	-39.08	357.72	7.96	-31.12
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012056110	0	43	0.0	-32.38	365.62	10.93	-21.45
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012056111	0	43	0.0	-31.90	375.92	11.38	-20.52
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012056112	0	43	0.0	-34.57	373.49	10.41	-24.16
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012056113	0	42	0.0	-31.07	348.68	11.97	-19.10
COC1=C2OC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CC2=CC=C1	REAL300012056114	0	43	0.0	-30.37	358.62	9.50	-20.87
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012056115	0	47	0.0	-33.17	385.45	12.15	-21.02
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012056116	0	39	0.0	-34.21	349.95	9.00	-25.21
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056117	0	52	0.0	-32.85	419.24	12.11	-20.74
CCOC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1OCC(C)C	REAL300012056118	0	56	0.0	-33.24	446.59	12.24	-21.00
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012056119	0	36	0.0	-27.36	328.07	10.33	-17.03
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012056120	0	36	0.0	-33.49	329.43	10.37	-23.12
COC1=CC(OC)=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056121	0	44	0.0	-31.71	361.52	8.33	-23.38
COC1=CC2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=C2C=C1	REAL300012056122	0	46	0.0	-31.71	376.70	11.22	-20.49
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Br)=CS1	REAL300012056124	0	33	0.0	-29.64	314.23	9.45	-20.19
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OCC	REAL300012056125	0	56	0.0	-32.58	445.83	12.27	-20.31
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056126	0	49	0.0	-32.40	398.88	11.83	-20.57
COC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1OC(F)F	REAL300012056127	0	44	0.0	-29.28	369.38	9.30	-19.98
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012056128	0	40	0.0	-30.35	363.10	10.30	-20.05
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012056129	0	42	0.0	-41.56	352.89	8.77	-32.79
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012056131	0	36	0.0	-31.22	328.22	10.34	-20.88
CC1=CC=C(COC2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=C2)C=C1	REAL300012056132	0	53	0.0	-32.45	433.92	13.65	-18.80
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012056133	0	51	0.0	-30.05	395.42	11.01	-19.04
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056134	0	55	0.0	-28.74	438.56	13.05	-15.69
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1SC	REAL300012056135	0	44	0.0	-32.53	371.44	10.07	-22.46
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056136	0	47	0.0	-36.54	394.92	11.22	-25.32
CCCCCOC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1OC	REAL300012056137	0	56	0.0	-32.45	445.47	12.13	-20.32
CCC(C)OC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1OC	REAL300012056138	0	53	0.0	-32.14	419.65	11.18	-20.96
CCCCCCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056139	0	58	0.0	-28.64	460.06	13.83	-14.81
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OCCCC#N	REAL300012056140	0	51	0.0	-38.26	423.33	11.08	-27.18
C=C(C)COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1OC	REAL300012056141	0	51	0.0	-33.22	415.45	11.20	-22.02
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OCCC(C)C	REAL300012056142	0	56	0.0	-32.40	441.54	11.87	-20.53
C=CCC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC(OC)=C1O	REAL300012056143	0	48	0.0	-32.62	397.40	8.87	-23.75
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012056144	0	43	0.0	-33.85	361.93	9.65	-24.20
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056145	0	45	0.0	-34.10	379.41	10.63	-23.47
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056146	0	46	0.0	-32.85	399.97	8.24	-24.61
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012056147	0	42	0.0	-29.83	354.15	9.51	-20.32
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012056148	1	42	0.0	-27.95	364.36	10.45	-17.50
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012056149	0	49	0.0	-31.92	395.26	8.81	-23.11
CN1C=NC2=CC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CC=C21	REAL300012056150	0	42	0.0	-37.35	349.63	11.02	-26.33
CCN1N=C(C)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1C	REAL300012056151	0	45	0.0	-31.59	364.15	9.30	-22.29
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1Cl	REAL300012056152	0	44	0.0	-30.76	381.50	11.04	-19.72
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012056153	0	42	0.0	-30.89	365.40	10.67	-20.22
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012056154	0	48	0.0	-26.90	388.96	9.59	-17.31
CC1(C)CC2=CC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CC=C2O1	REAL300012056155	0	47	0.0	-30.97	377.79	10.89	-20.08
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012056156	0	42	0.0	-35.49	357.86	8.11	-27.38
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012056157	0	39	0.0	-27.49	359.04	9.55	-17.94
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056158	0	46	0.0	-27.34	378.85	10.20	-17.14
CC1=CC=C(F)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056159	0	39	0.0	-26.45	328.49	10.43	-16.02
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056160	0	39	0.0	-30.69	322.45	10.37	-20.32
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012056161	0	39	0.0	-31.94	357.99	11.22	-20.72
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012056162	0	36	0.0	-29.94	333.00	10.67	-19.27
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(Br)=C1	REAL300012056163	0	39	0.0	-28.00	335.10	10.78	-17.22
CC(C)COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056164	0	49	0.0	-31.04	395.52	11.45	-19.59
COCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056165	0	47	0.0	-33.82	387.55	9.22	-24.60
CC1(C)CCCC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012056166	0	48	0.0	-30.54	357.51	10.93	-19.61
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012056167	0	40	0.0	-33.17	357.82	9.84	-23.33
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1Cl	REAL300012056168	0	46	0.0	-26.89	396.99	11.19	-15.70
CC1=CCCC(C)C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056169	0	46	0.0	-30.14	339.52	10.54	-19.60
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-])OCO2	REAL300012056170	0	43	0.0	-31.76	355.40	7.69	-24.07
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012056171	0	41	0.0	-30.44	338.95	10.07	-20.37
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056172	0	49	0.0	-29.09	395.49	11.45	-17.64
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056173	0	39	0.0	-28.99	330.76	10.75	-18.24
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012056174	0	40	0.0	-34.27	338.70	11.05	-23.22
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012056175	0	35	0.0	-32.18	312.95	8.32	-23.86
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012056176	0	35	0.0	-32.08	318.73	8.54	-23.54
CN1N=NC2=CC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CC=C21	REAL300012056177	0	41	0.0	-34.92	345.19	8.13	-26.79
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=C2O1	REAL300012056178	0	47	0.0	-32.20	379.87	10.93	-21.27
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012056179	0	41	0.0	-30.52	359.63	10.17	-20.35
COC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300012056180	0	39	0.0	-33.65	328.37	6.34	-27.31
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012056181	0	46	0.0	-30.42	376.73	10.69	-19.73
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012056182	0	43	0.0	-37.60	359.60	10.88	-26.72
CC(C)N1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300012056183	0	42	0.0	-32.53	343.39	8.84	-23.69
CC1=C(Br)SC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056184	0	36	0.0	-30.69	331.87	10.08	-20.61
CC1=NC2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=C2C=C1	REAL300012056185	0	44	0.0	-34.83	363.91	10.66	-24.17
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=C2)C=C1	REAL300012056186	0	51	0.0	-33.13	419.43	11.81	-21.32
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012056187	0	38	0.0	-29.01	319.32	8.58	-20.43
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=C2)=C1	REAL300012056188	0	52	0.0	-31.55	419.59	14.46	-17.09
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012056189	0	45	0.0	-36.28	376.95	13.26	-23.02
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012056190	0	39	0.0	-29.91	335.54	10.28	-19.63
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012056191	0	43	0.0	-36.69	366.93	10.27	-26.42
COCC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056192	0	43	0.0	-30.17	356.27	9.40	-20.77
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056193	0	46	0.0	-31.59	397.66	12.04	-19.55
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012056194	0	50	0.0	-30.98	418.06	12.99	-17.99
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056195	0	49	0.0	-25.27	393.38	11.52	-13.75
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012056196	0	47	0.0	-31.88	401.84	13.78	-18.10
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012056197	0	46	0.0	-28.23	379.50	10.58	-17.65
COC1=CC(C)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC	REAL300012056198	0	47	0.0	-30.47	371.05	9.37	-21.10
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056199	0	42	0.0	-36.75	365.27	10.55	-26.20
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056200	0	42	0.0	-30.50	356.91	8.36	-22.14
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056201	0	45	0.0	-38.78	386.29	9.18	-29.60
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012056202	0	40	0.0	-27.95	347.95	8.51	-19.44
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056203	0	40	0.0	-25.04	357.38	11.18	-13.86
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012056204	0	46	0.0	-37.15	391.03	11.38	-25.77
CC1CCC2=C(C1)SC(C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-])=N2	REAL300012056205	1	45	0.0	-30.75	370.56	10.03	-20.72
CC(C)(C)C1CCC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012056206	0	54	0.0	-29.21	380.08	11.61	-17.60
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056207	0	50	0.0	-28.08	404.85	12.49	-15.59
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056208	0	50	0.0	-31.01	404.82	12.50	-18.51
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056209	0	49	0.0	-33.72	400.01	10.75	-22.97
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012056210	0	47	0.0	-30.83	385.60	11.53	-19.30
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1Cl	REAL300012056211	0	40	0.0	-29.24	357.16	9.90	-19.34
CC(C)CC1=NC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056212	0	44	0.0	-29.92	370.41	9.90	-20.02
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012056213	0	39	0.0	-29.66	358.14	9.78	-19.88
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012056214	0	39	0.0	-30.92	357.37	9.65	-21.27
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])S2)O1	REAL300012056215	0	42	0.0	-30.75	370.96	9.61	-21.14
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056216	0	39	0.0	-28.98	335.33	10.86	-18.12
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012056217	0	36	0.0	-30.56	337.34	10.75	-19.81
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012056218	0	43	0.0	-40.70	356.55	9.75	-30.95
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012056219	0	45	0.0	-36.26	376.40	11.43	-24.83
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012056220	0	39	0.0	-26.82	345.37	10.64	-16.18
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056221	0	47	0.0	-28.02	386.16	9.27	-18.75
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012056222	0	36	0.0	-29.16	330.42	10.63	-18.53
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056223	0	40	0.0	-26.11	351.19	9.72	-16.39
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012056224	1	39	0.0	-27.68	333.16	8.88	-18.80
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012056225	0	43	0.0	-27.04	365.61	10.04	-17.00
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012056226	0	50	0.0	-27.41	412.45	12.49	-14.92
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012056227	0	47	0.0	-26.62	403.50	12.93	-13.69
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056228	0	55	0.0	-28.28	424.67	13.11	-15.17
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056229	0	40	0.0	-31.63	332.06	9.02	-22.61
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012056230	0	43	0.0	-34.33	369.18	11.68	-22.65
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056231	0	44	0.0	-30.22	369.37	9.50	-20.72
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012056232	0	42	0.0	-33.48	345.75	8.84	-24.64
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012056233	0	36	0.0	-29.45	323.82	10.34	-19.11
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012056234	0	36	0.0	-29.50	319.26	10.23	-19.27
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012056235	0	43	0.0	-32.32	360.07	10.89	-21.43
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012056236	0	46	0.0	-31.96	397.23	11.79	-20.17
CC(C)(C)N1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300012056237	0	45	0.0	-29.76	363.13	9.47	-20.29
CC1=CC(C)=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056238	0	42	0.0	-29.22	345.34	11.05	-18.17
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056239	0	43	0.0	-38.71	358.94	8.60	-30.11
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012056240	0	36	0.0	-28.74	310.78	10.09	-18.65
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012056241	0	38	0.0	-34.67	330.74	10.39	-24.28
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012056242	0	38	0.0	-37.67	330.78	10.40	-27.27
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012056243	0	42	0.0	-27.99	343.52	11.86	-16.13
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056244	0	44	0.0	-29.47	352.35	10.07	-19.40
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056245	0	50	0.0	-28.88	396.37	11.98	-16.90
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012056246	0	36	0.0	-30.53	322.53	10.31	-20.22
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012056247	0	36	0.0	-30.58	317.97	10.20	-20.38
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC(OC)=C1OC	REAL300012056248	0	48	0.0	-34.09	393.14	8.80	-25.29
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012056249	0	36	0.0	-28.24	320.56	10.11	-18.13
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012056250	0	40	0.0	-27.64	338.26	9.28	-18.36
COC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1OC	REAL300012056251	0	44	0.0	-26.77	360.00	8.93	-17.84
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012056252	0	36	0.0	-29.97	328.43	10.57	-19.40
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012056253	0	49	0.0	-30.65	384.38	8.48	-22.17
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC	REAL300012056254	0	44	0.0	-33.03	361.28	8.92	-24.11
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(OC)=C1	REAL300012056255	0	44	0.0	-27.60	360.14	8.38	-19.22
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012056256	0	39	0.0	-32.01	339.97	10.67	-21.34
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012056257	0	36	0.0	-34.11	314.54	9.81	-24.30
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012056258	0	36	0.0	-32.29	329.57	10.61	-21.68
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012056259	0	36	0.0	-30.65	333.12	10.65	-20.00
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012056260	0	40	0.0	-32.24	341.82	9.31	-22.93
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012056261	0	39	0.0	-34.82	331.09	10.78	-24.04
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056262	0	49	0.0	-31.28	396.92	11.53	-19.75
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056263	0	52	0.0	-30.63	413.16	12.01	-18.62
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056264	0	55	0.0	-31.24	439.91	13.09	-18.15
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012056265	0	47	0.0	-29.69	389.90	12.53	-17.16
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(OCCC)=C1	REAL300012056266	0	56	0.0	-25.44	444.69	11.75	-13.69
COC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056267	0	40	0.0	-28.87	329.88	8.95	-19.92
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056268	0	43	0.0	-30.74	350.19	11.50	-19.24
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC	REAL300012056269	0	47	0.0	-32.31	381.81	9.80	-22.51
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056270	0	45	0.0	-29.41	362.78	11.65	-17.76
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012056271	0	39	0.0	-30.67	341.26	10.72	-19.95
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(OC)=C1OC	REAL300012056272	0	48	0.0	-28.93	394.41	8.93	-20.00
CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056273	0	43	0.0	-25.42	350.38	9.94	-15.48
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056274	0	43	0.0	-31.50	353.92	9.95	-21.55
COC1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056275	0	40	0.0	-26.86	330.61	9.09	-17.77
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056276	0	40	0.0	-28.35	351.97	9.69	-18.66
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC(Br)=C1O	REAL300012056277	0	41	0.0	-32.25	363.19	7.49	-24.76
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012056278	0	46	0.0	-31.02	375.46	13.10	-17.92
COC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012056279	0	46	0.0	-28.39	371.61	11.16	-17.23
CSC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056280	0	40	0.0	-31.53	342.77	10.75	-20.78
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012056281	0	36	0.0	-26.40	330.68	10.55	-15.85
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056282	0	48	0.0	-32.44	388.00	8.25	-24.19
CCC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056283	0	42	0.0	-29.52	345.45	11.17	-18.35
CC1=CC(C)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300012056284	0	45	0.0	-25.74	352.90	11.29	-14.45
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012056285	0	36	0.0	-29.82	313.20	9.78	-20.04
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012056286	0	36	0.0	-32.99	315.24	9.84	-23.15
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056287	0	46	0.0	-30.90	394.61	11.65	-19.25
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012056288	0	50	0.0	-30.67	413.79	13.00	-17.67
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1Br	REAL300012056289	0	36	0.0	-27.95	312.71	10.15	-17.80
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1O	REAL300012056290	0	41	0.0	-32.14	342.79	6.86	-25.28
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056291	0	42	0.0	-31.75	342.33	8.43	-23.32
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056292	0	39	0.0	-29.95	340.71	8.36	-21.59
CCC1=NN(C)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056293	0	42	0.0	-30.51	346.47	8.84	-21.67
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012056294	0	39	0.0	-34.17	344.75	8.89	-25.28
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012056295	0	48	0.0	-28.20	372.97	9.89	-18.31
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1I	REAL300012056296	0	36	0.0	-26.52	316.14	10.53	-15.99
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056297	0	48	0.0	-35.23	396.47	11.58	-23.65
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012056298	0	46	0.0	-28.35	380.30	11.40	-16.95
CCOC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1OC	REAL300012056299	0	47	0.0	-26.98	383.12	9.91	-17.07
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OCC(N)=O	REAL300012056300	0	48	0.0	-42.00	399.86	6.88	-35.12
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056301	0	42	0.0	-27.62	358.31	10.55	-17.07
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012056302	0	43	0.0	-33.82	356.83	7.62	-26.20
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012056303	0	42	0.0	-30.12	357.00	9.51	-20.61
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-])OC(C)C2	REAL300012056304	0	48	0.0	-29.86	387.67	9.68	-20.18
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CS1	REAL300012056305	0	45	0.0	-43.44	381.61	9.59	-33.85
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1C	REAL300012056306	0	43	0.0	-30.29	350.79	9.73	-20.56
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056307	0	45	0.0	-27.27	345.72	8.47	-18.80
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056308	0	44	0.0	-28.49	358.88	8.45	-20.04
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056309	0	40	0.0	-31.48	336.53	9.06	-22.42
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(I)=C1	REAL300012056310	0	36	0.0	-29.20	330.31	10.82	-18.38
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(I)C=C1	REAL300012056311	0	36	0.0	-30.41	329.02	10.78	-19.63
CSC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056312	0	37	0.0	-30.80	336.05	10.05	-20.75
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056313	0	49	0.0	-27.22	386.23	13.30	-13.92
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012056314	0	39	0.0	-34.08	328.58	8.37	-25.71
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012056315	0	33	0.0	-26.59	308.03	9.26	-17.33
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056316	0	42	0.0	-37.94	361.93	7.19	-30.75
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012056317	0	46	0.0	-32.14	393.50	13.66	-18.48
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056318	0	40	0.0	-28.56	335.75	9.10	-19.46
NC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056319	0	40	0.0	-39.56	337.11	6.51	-33.05
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1F	REAL300012056320	0	40	0.0	-33.75	338.26	9.09	-24.66
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056321	0	40	0.0	-28.35	347.40	9.59	-18.76
COC(=O)C1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CN1C	REAL300012056322	0	43	0.0	-38.86	360.67	9.87	-28.99
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1Cl	REAL300012056323	0	39	0.0	-32.00	337.99	10.82	-21.18
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1C	REAL300012056324	0	43	0.0	-31.05	352.11	9.77	-21.28
CC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1F	REAL300012056325	0	39	0.0	-26.71	328.41	10.38	-16.33
N#CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(F)=C1	REAL300012056326	0	37	0.0	-31.81	328.92	10.13	-21.68
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012056327	0	49	0.0	-32.16	406.56	11.31	-20.85
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012056328	0	35	0.0	-26.84	317.53	8.45	-18.39
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012056329	0	45	0.0	-31.47	374.90	7.00	-24.47
C#CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056330	0	45	0.0	-31.93	381.20	11.27	-20.66
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012056331	0	39	0.0	-36.19	327.34	10.15	-26.04
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=C12	REAL300012056332	0	44	0.0	-37.42	368.80	9.45	-27.97
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012056333	0	39	0.0	-33.01	338.98	8.94	-24.07
CCC1=NC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CS1	REAL300012056334	0	38	0.0	-31.55	328.42	8.11	-23.44
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012056335	0	39	0.0	-28.47	346.26	10.73	-17.74
CCOCC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1OC	REAL300012056336	0	50	0.0	-33.11	406.12	9.93	-23.18
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056337	0	40	0.0	-34.14	337.08	6.50	-27.64
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012056338	0	39	0.0	-30.16	337.79	9.14	-21.02
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1CCCCCCC1	REAL300012056339	0	48	0.0	-29.87	345.20	10.88	-18.99
COC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1F	REAL300012056340	0	40	0.0	-36.24	337.44	9.05	-27.19
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012056341	0	36	0.0	-27.75	324.59	10.19	-17.56
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012056342	0	43	0.0	-29.31	346.72	11.59	-17.72
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC=C1Br	REAL300012056343	0	33	0.0	-28.42	307.79	9.14	-19.28
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056344	0	49	0.0	-25.02	385.42	11.19	-13.83
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012056345	1	42	0.0	-31.48	351.09	9.46	-22.02
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012056346	0	36	0.0	-30.95	328.91	10.36	-20.59
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012056347	0	41	0.0	-32.93	342.21	10.16	-22.77
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012056348	0	36	0.0	-31.76	319.45	10.17	-21.59
COC1=CC(F)=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056349	0	40	0.0	-31.64	338.44	9.09	-22.55
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012056350	0	36	0.0	-27.67	328.69	10.35	-17.32
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300012056351	0	46	0.0	-32.12	372.87	9.64	-22.48
CS(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056352	0	41	0.0	-43.45	353.46	8.28	-35.17
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012056353	0	46	0.0	-29.31	365.22	12.21	-17.10
COC(=O)C1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CN1	REAL300012056354	0	40	0.0	-33.21	344.19	8.16	-25.05
COCC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300012056355	0	40	0.0	-30.14	338.88	7.74	-22.40
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1OC	REAL300012056356	0	47	0.0	-32.75	372.98	9.51	-23.24
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012056357	0	33	0.0	-26.22	323.50	9.72	-16.50
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056358	0	38	0.0	-30.94	317.55	8.43	-22.51
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056359	0	43	0.0	-26.68	352.09	9.74	-16.94
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012056360	0	35	0.0	-32.14	327.31	8.09	-24.05
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056361	0	42	0.0	-35.88	361.90	7.19	-28.69
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012056362	0	33	0.0	-29.31	308.31	9.30	-20.01
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012056363	0	49	0.0	-29.34	386.11	12.91	-16.43
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056364	0	39	0.0	-30.57	338.50	10.81	-19.76
COCC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056365	0	43	0.0	-31.52	357.63	9.46	-22.06
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012056366	0	43	0.0	-30.51	360.17	11.38	-19.13
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012056367	0	43	0.0	-29.16	350.39	11.79	-17.37
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012056368	0	32	0.0	-27.61	304.37	7.48	-20.13
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012056369	0	46	0.0	-30.09	367.39	10.18	-19.91
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056370	0	46	0.0	-27.60	376.35	11.35	-16.25
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012056371	0	39	0.0	-33.66	335.40	10.60	-23.06
COC1=CC(C)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=N1	REAL300012056372	0	45	0.0	-29.22	360.39	7.39	-21.83
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056373	0	40	0.0	-27.57	344.75	9.50	-18.07
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056374	0	46	0.0	-28.44	360.68	10.14	-18.30
CC1=NC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012056375	0	46	0.0	-29.45	381.57	12.00	-17.45
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1C	REAL300012056376	0	48	0.0	-31.35	385.63	10.04	-21.31
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012056377	0	41	0.0	-33.12	344.53	9.38	-23.74
COCCN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300012056378	0	43	0.0	-34.79	360.59	7.44	-27.35
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012056379	0	46	0.0	-28.94	367.00	12.27	-16.67
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012056380	0	46	0.0	-32.15	377.00	11.32	-20.83
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1F	REAL300012056381	0	43	0.0	-31.91	358.79	9.98	-21.93
COC1=CC=CC2=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=CC=C12	REAL300012056382	0	46	0.0	-30.12	366.52	11.05	-19.07
N#CC1=CSC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056383	0	34	0.0	-33.97	312.47	9.21	-24.76
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1C#N	REAL300012056384	0	41	0.0	-37.81	352.24	9.44	-28.37
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056385	0	46	0.0	-29.48	377.16	11.56	-17.92
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012056386	0	35	0.0	-32.68	327.92	8.03	-24.65
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1C#N	REAL300012056387	0	40	0.0	-35.59	342.54	10.62	-24.97
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012056388	0	43	0.0	-32.09	366.39	8.03	-24.06
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(Br)=C1	REAL300012056389	0	40	0.0	-25.06	346.14	9.48	-15.58
CC(C)CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300012056390	0	45	0.0	-30.45	366.90	9.89	-20.56
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012056391	0	43	0.0	-26.45	343.41	11.64	-14.81
CC1=CC(Br)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056392	0	36	0.0	-26.93	332.62	10.13	-16.80
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056393	0	51	0.0	-31.11	412.23	12.43	-18.68
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056394	0	46	0.0	-25.22	388.67	12.32	-12.90
CCC1=CN=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056395	1	38	0.0	-26.67	329.39	8.40	-18.27
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CC=C21	REAL300012056396	0	47	0.0	-36.01	377.08	10.58	-25.43
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056397	0	43	0.0	-27.77	360.51	9.98	-17.79
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012056398	0	42	0.0	-30.80	384.32	11.27	-19.53
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012056399	0	42	0.0	-33.45	370.78	10.94	-22.51
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056400	0	53	0.0	-28.32	428.13	13.22	-15.10
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012056401	0	47	0.0	-27.58	400.92	12.11	-15.47
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056402	0	45	0.0	-29.99	365.21	9.49	-20.50
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012056403	0	45	0.0	-29.46	372.29	10.27	-19.19
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012056404	0	42	0.0	-34.25	375.72	10.97	-23.28
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012056405	0	39	0.0	-30.72	340.44	9.35	-21.37
CC(C)C1=NC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056406	0	41	0.0	-29.90	351.54	9.03	-20.87
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012056407	0	39	0.0	-33.40	349.01	8.78	-24.62
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012056408	0	36	0.0	-30.61	337.34	10.75	-19.86
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012056409	0	48	0.0	-31.45	412.16	12.23	-19.22
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=C2)C=N1	REAL300012056410	0	46	0.0	-35.00	381.36	10.98	-24.02
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012056411	0	39	0.0	-34.36	338.76	8.72	-25.64
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012056412	0	47	0.0	-33.68	397.67	12.64	-21.04
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012056413	0	46	0.0	-31.71	383.11	10.75	-20.96
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012056414	0	47	0.0	-33.91	397.48	11.08	-22.83
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])N1	REAL300012056415	0	44	0.0	-36.50	360.19	7.88	-28.62
NC(=O)C1=CSC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056416	0	37	0.0	-33.85	327.55	5.55	-28.30
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300012056417	0	50	0.0	-35.04	409.62	12.11	-22.93
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056418	0	48	0.0	-30.59	385.30	9.87	-20.72
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012056419	0	42	0.0	-29.81	357.12	9.83	-19.98
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012056420	0	43	0.0	-31.24	364.98	7.91	-23.33
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])N=N1	REAL300012056421	0	45	0.0	-38.19	376.57	10.44	-27.75
CN1N=C(Br)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056422	0	36	0.0	-33.58	324.90	7.79	-25.79
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])S2)C=N1	REAL300012056423	0	43	0.0	-32.64	376.52	10.41	-22.23
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012056424	0	48	0.0	-34.51	380.27	10.56	-23.95
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056425	0	43	0.0	-25.73	368.61	10.57	-15.16
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056426	0	42	0.0	-25.17	340.29	10.82	-14.35
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012056427	0	36	0.0	-33.01	331.83	10.60	-22.41
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012056428	0	36	0.0	-29.24	316.72	7.53	-21.71
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056429	0	47	0.0	-30.02	387.37	10.08	-19.94
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012056430	0	40	0.0	-28.69	351.20	9.55	-19.14
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012056431	0	43	0.0	-30.11	360.34	10.53	-19.58
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012056432	0	49	0.0	-28.33	400.03	11.48	-16.85
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012056433	0	49	0.0	-27.26	395.97	11.21	-16.05
CC(C)C1=CN=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056434	1	41	0.0	-30.45	349.38	8.98	-21.47
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012056435	0	46	0.0	-27.66	400.44	11.65	-16.01
CC(C)(C)C1=CN=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056436	1	44	0.0	-26.23	367.54	9.47	-16.76
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012056437	0	39	0.0	-29.24	337.12	9.14	-20.10
N#CCCN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012056438	0	49	0.0	-34.74	417.87	10.46	-24.28
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012056439	0	42	0.0	-27.25	363.60	13.31	-13.94
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056440	0	46	0.0	-35.83	379.29	10.18	-25.65
COCCCN1N=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056441	0	46	0.0	-28.30	356.27	7.98	-20.32
CC1=CC(F)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(Cl)=C1	REAL300012056442	0	39	0.0	-25.60	339.27	10.68	-14.92
COCCOCC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056443	0	50	0.0	-32.97	413.10	9.69	-23.28
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012056445	0	36	0.0	-25.21	321.52	9.66	-15.55
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012056446	0	42	0.0	-26.96	369.05	12.16	-14.80
CCN1N=C(C)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300012056447	0	41	0.0	-28.49	341.69	7.31	-21.18
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012056448	0	50	0.0	-32.68	423.80	12.05	-20.63
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012056449	0	43	0.0	-29.36	350.45	11.78	-17.58
N#CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1F	REAL300012056450	0	37	0.0	-36.12	327.13	10.08	-26.04
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012056451	0	39	0.0	-33.63	342.17	8.83	-24.80
CC1=CC(F)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(F)=C1	REAL300012056452	0	39	0.0	-29.08	334.55	10.45	-18.63
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300012056453	0	46	0.0	-32.89	380.26	10.51	-22.38
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056454	0	45	0.0	-28.31	358.69	9.23	-19.08
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012056455	0	35	0.0	-25.73	329.50	8.90	-16.83
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CN1	REAL300012056456	0	43	0.0	-37.57	360.13	8.74	-28.83
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])S2)C=C1C	REAL300012056457	0	48	0.0	-31.85	405.92	11.95	-19.90
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056458	0	46	0.0	-34.42	385.40	11.66	-22.76
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056459	0	46	0.0	-32.67	393.12	12.20	-20.47
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056460	0	49	0.0	-33.11	402.38	12.19	-20.92
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056461	0	46	0.0	-37.01	379.17	11.68	-25.33
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056462	0	45	0.0	-27.64	352.50	11.40	-16.24
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012056463	0	43	0.0	-32.80	347.13	9.05	-23.75
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012056464	0	42	0.0	-30.26	351.57	9.31	-20.95
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012056465	0	38	0.0	-30.60	323.85	8.47	-22.13
COC1=CC(OC)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1F	REAL300012056466	0	44	0.0	-32.59	366.32	8.46	-24.13
COC1=CC(F)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC	REAL300012056467	0	44	0.0	-33.10	363.58	8.90	-24.20
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(Cl)=C1	REAL300012056468	0	39	0.0	-28.86	333.11	10.71	-18.15
CCC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056469	0	42	0.0	-29.28	345.42	11.16	-18.12
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056470	0	49	0.0	-31.36	401.15	12.14	-19.22
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(F)=C1	REAL300012056471	0	40	0.0	-27.75	337.59	9.03	-18.72
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012056472	0	43	0.0	-27.24	343.24	11.54	-15.70
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056473	0	40	0.0	-30.10	336.01	9.11	-20.99
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300012056474	0	49	0.0	-28.63	385.18	11.20	-17.43
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012056475	0	38	0.0	-31.08	334.69	9.47	-21.61
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012056476	0	40	0.0	-31.04	327.72	8.28	-22.76
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012056477	0	39	0.0	-29.16	350.41	10.82	-18.34
CCC1=C2OC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CC2=CC=C1	REAL300012056478	0	45	0.0	-28.63	372.02	11.63	-17.00
C=CCCN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])N=N1	REAL300012056479	0	42	0.0	-29.52	353.78	8.34	-21.18
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012056480	0	43	0.0	-29.37	355.18	9.70	-19.67
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012056481	0	44	0.0	-36.40	367.17	10.68	-25.72
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300012056482	0	46	0.0	-28.83	363.70	10.40	-18.43
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012056483	0	40	0.0	-29.52	346.74	9.43	-20.09
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012056484	0	40	0.0	-30.03	346.82	9.43	-20.60
COC1=NC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056485	0	39	0.0	-32.95	328.34	6.50	-26.45
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012056486	0	49	0.0	-28.99	386.76	12.93	-16.06
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300012056487	0	46	0.0	-36.31	384.59	8.64	-27.67
COCC1=CSC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056488	0	40	0.0	-30.62	346.73	8.51	-22.11
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012056489	0	42	0.0	-29.25	344.75	8.19	-21.06
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012056490	0	42	0.0	-31.30	382.13	11.19	-20.11
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012056491	0	36	0.0	-30.52	331.83	9.82	-20.70
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012056492	0	36	0.0	-34.36	322.29	9.00	-25.36
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012056493	0	36	0.0	-25.60	324.51	9.82	-15.78
CN(C)C1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=CC(F)=C1F	REAL300012056494	0	44	0.0	-33.30	361.02	9.74	-23.56
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012056495	0	36	0.0	-27.93	326.45	10.16	-17.77
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012056496	0	48	0.0	-32.34	386.58	9.33	-23.01
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1F	REAL300012056497	0	44	0.0	-32.37	367.95	9.31	-23.06
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056498	0	50	0.0	-31.75	404.29	11.46	-20.29
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012056499	0	36	0.0	-37.91	318.35	9.85	-28.06
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012056500	0	43	0.0	-30.97	368.59	9.94	-21.03
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC	REAL300012056501	0	48	0.0	-31.64	413.83	11.01	-20.63
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC1CC1	REAL300012056502	0	48	0.0	-33.39	392.31	10.59	-22.80
CCCN1N=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056503	0	42	0.0	-28.57	338.56	8.85	-19.72
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056504	0	39	0.0	-35.10	344.55	8.28	-26.82
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056505	0	50	0.0	-32.08	404.15	9.93	-22.15
CCCC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056506	0	42	0.0	-27.53	357.65	11.19	-16.34
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012056507	0	43	0.0	-30.97	369.93	12.34	-18.63
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012056508	0	49	0.0	-29.12	388.59	11.44	-17.68
CC(C)C1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056509	0	45	0.0	-28.99	362.75	11.64	-17.35
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(Cl)=N1	REAL300012056510	0	36	0.0	-35.08	321.94	7.93	-27.15
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012056511	0	43	0.0	-29.12	379.69	10.58	-18.54
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012056512	0	52	0.0	-30.10	401.92	11.66	-18.44
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012056513	0	49	0.0	-29.35	393.62	13.23	-16.12
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056514	0	44	0.0	-29.67	375.34	8.94	-20.73
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=NC=C1Br	REAL300012056515	0	38	0.0	-32.46	335.18	9.00	-23.46
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C(Br)C=C1F	REAL300012056516	0	39	0.0	-29.47	341.74	10.94	-18.53
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012056517	0	37	0.0	-28.22	330.30	7.43	-20.79
CN1C=C(C2=NC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CS2)C=N1	REAL300012056518	0	42	0.0	-37.65	372.03	8.31	-29.34
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1Cl	REAL300012056519	0	40	0.0	-32.05	346.74	9.53	-22.52
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012056520	0	46	0.0	-30.42	371.96	10.24	-20.18
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012056521	0	42	0.0	-30.75	361.88	9.61	-21.14
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012056522	0	42	0.0	-30.72	351.72	11.29	-19.43
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(Br)=N1	REAL300012056523	0	36	0.0	-33.97	325.98	8.02	-25.95
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(F)=C1	REAL300012056524	0	39	0.0	-31.80	328.22	10.38	-21.42
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056525	0	43	0.0	-37.08	357.32	8.58	-28.50
CN1N=CC2=CC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CN=C21	REAL300012056526	0	41	0.0	-35.09	345.51	8.81	-26.28
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012056527	0	35	0.0	-28.41	322.03	8.44	-19.97
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC	REAL300012056528	0	44	0.0	-30.45	368.63	9.26	-21.19
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012056529	0	42	0.0	-32.09	362.22	11.46	-20.63
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056530	0	46	0.0	-29.73	366.76	9.71	-20.02
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C(C)N1	REAL300012056531	0	49	0.0	-35.44	402.90	10.11	-25.33
CC1=C(C)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CS1	REAL300012056532	0	39	0.0	-27.61	327.79	10.01	-17.60
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012056533	0	35	0.0	-35.04	320.12	8.41	-26.63
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012056534	0	46	0.0	-33.21	394.23	13.65	-19.56
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012056535	0	36	0.0	-36.58	332.66	10.40	-26.18
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Br)SC=C1	REAL300012056536	0	33	0.0	-27.65	307.89	9.30	-18.35
CCOC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C(F)C=C1OC	REAL300012056537	0	47	0.0	-33.83	387.59	9.89	-23.94
COC1=NC=C(Br)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056538	0	39	0.0	-26.64	348.27	7.06	-19.58
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012056539	0	42	0.0	-29.18	347.74	11.85	-17.33
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CN=C1Br	REAL300012056540	0	35	0.0	-26.58	313.12	8.41	-18.17
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012056541	0	36	0.0	-26.21	334.62	10.73	-15.48
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012056542	0	40	0.0	-27.44	352.28	9.60	-17.84
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056543	0	46	0.0	-28.31	376.74	10.69	-17.62
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056544	0	43	0.0	-31.41	360.29	10.02	-21.39
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012056545	0	50	0.0	-39.81	397.25	10.69	-29.12
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012056546	0	40	0.0	-29.45	347.34	9.32	-20.13
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056547	0	49	0.0	-29.17	382.92	10.85	-18.32
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056548	0	39	0.0	-29.84	330.17	10.68	-19.16
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C(F)C=C1C	REAL300012056549	0	43	0.0	-31.99	356.62	9.81	-22.18
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1Br	REAL300012056550	0	42	0.0	-29.64	350.33	11.32	-18.32
CC1=CC=NC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1Br	REAL300012056551	0	38	0.0	-27.78	332.84	8.92	-18.86
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056552	0	53	0.0	-35.94	424.63	9.97	-25.97
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012056553	0	46	0.0	-33.50	392.32	10.95	-22.55
CC(C)(C)C1=CSC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300012056554	1	44	0.0	-31.68	368.14	9.43	-22.25
COCCC1=NC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056555	0	42	0.0	-31.27	364.43	7.50	-23.77
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012056556	1	37	0.0	-28.69	337.52	7.54	-21.15
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012056557	1	37	0.0	-30.11	324.78	7.07	-23.04
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056558	0	44	0.0	-29.34	364.69	9.30	-20.04
CCN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012056559	0	49	0.0	-27.56	402.21	11.71	-15.85
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012056560	0	44	0.0	-28.04	347.21	9.60	-18.44
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1C	REAL300012056561	0	52	0.0	-27.68	398.84	10.78	-16.90
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012056562	0	38	0.0	-40.16	328.96	10.23	-29.93
CC1=C(Br)C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056563	0	36	0.0	-28.48	332.96	10.15	-18.33
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012056564	0	46	0.0	-30.79	391.31	13.57	-17.22
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012056565	0	41	0.0	-30.99	338.64	9.96	-21.03
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1C	REAL300012056566	0	49	0.0	-30.38	395.50	11.49	-18.89
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012056567	0	40	0.0	-35.70	336.41	8.05	-27.65
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012056568	0	50	0.0	-33.72	413.43	10.66	-23.06
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056569	0	43	0.0	-29.03	356.56	9.98	-19.05
CC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056570	0	39	0.0	-34.16	345.45	10.88	-23.28
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012056571	0	41	0.0	-32.03	338.84	10.79	-21.24
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056572	0	44	0.0	-30.40	354.97	11.12	-19.28
COC1=CC=C(CN2C=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])N=N2)C=C1	REAL300012056573	0	49	0.0	-33.61	410.23	9.36	-24.25
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(F)=C1OC	REAL300012056574	0	44	0.0	-29.40	369.25	9.01	-20.39
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(F)=C1	REAL300012056575	0	42	0.0	-37.89	361.58	10.35	-27.54
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012056576	0	46	0.0	-31.30	389.17	10.10	-21.20
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012056577	0	50	0.0	-31.72	412.48	12.95	-18.77
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012056578	0	43	0.0	-29.91	365.43	10.32	-19.59
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012056579	0	35	0.0	-26.91	312.96	8.34	-18.57
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056580	0	52	0.0	-31.42	417.87	12.73	-18.69
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056581	0	43	0.0	-31.81	356.20	11.15	-20.66
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012056582	0	39	0.0	-31.67	332.18	8.48	-23.19
CCCC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056584	0	45	0.0	-29.48	366.94	11.94	-17.54
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012056585	0	42	0.0	-33.68	384.11	11.03	-22.65
COC1=CC=C(C2=NC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CS2)C=C1	REAL300012056586	0	46	0.0	-28.39	396.85	9.83	-18.56
CC1=C2C=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=NC2=NN1	REAL300012056588	0	41	0.0	-42.57	345.59	8.24	-34.33
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056589	0	44	0.0	-38.76	376.11	6.43	-32.33
CN1N=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012056590	0	42	0.0	-31.88	350.32	9.56	-22.32
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012056591	0	39	0.0	-33.06	329.42	8.33	-24.73
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012056591	1	39	0.0	-28.21	329.65	8.35	-19.86
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056592	0	36	0.0	-27.69	336.02	9.01	-18.68
CCC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056593	0	39	0.0	-27.13	334.83	10.36	-16.77
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012056594	0	41	0.0	-26.64	338.05	9.94	-16.70
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012056595	0	42	0.0	-30.29	348.62	10.66	-19.63
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056596	0	56	0.0	-30.28	424.35	11.81	-18.47
CCC1=NC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056597	0	38	0.0	-30.68	330.71	8.43	-22.25
COC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])SC=C1	REAL300012056598	0	37	0.0	-27.69	322.65	8.12	-19.57
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012056599	0	42	0.0	-32.55	357.43	7.92	-24.63
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC=C1Cl	REAL300012056600	0	33	0.0	-30.04	307.21	9.13	-20.91
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056601	0	41	0.0	-29.79	356.88	8.90	-20.89
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056602	0	47	0.0	-33.70	398.89	10.19	-23.51
CCCC(C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012056603	0	48	0.0	-27.21	378.90	12.28	-14.93
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012056604	0	41	0.0	-26.66	353.11	10.54	-16.12
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012056605	0	36	0.0	-33.57	333.40	10.03	-23.54
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012056606	0	47	0.0	-34.21	380.47	11.11	-23.10
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056607	0	46	0.0	-32.53	383.49	12.31	-20.22
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056608	0	45	0.0	-28.73	391.47	11.26	-17.47
CC(C)C1CCC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012056609	0	51	0.0	-29.14	370.26	11.43	-17.71
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012056610	0	39	0.0	-34.79	362.44	11.06	-23.73
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012056611	0	39	0.0	-28.60	349.54	10.80	-17.80
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056612	0	47	0.0	-33.75	389.21	11.12	-22.63
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056613	0	50	0.0	-31.38	400.35	11.30	-20.08
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056614	0	46	0.0	-27.25	375.14	10.56	-16.69
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012056615	0	45	0.0	-33.47	378.09	11.44	-22.03
CN1N=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1Cl	REAL300012056616	0	36	0.0	-29.74	319.86	7.80	-21.94
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012056617	0	38	0.0	-38.22	323.02	7.12	-31.10
COC1=CC=C(N2C=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=N2)C=C1	REAL300012056618	0	47	0.0	-33.69	390.85	10.23	-23.46
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056619	0	51	0.0	-30.63	421.45	13.04	-17.59
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012056620	0	38	0.0	-30.36	340.65	7.67	-22.69
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012056621	0	43	0.0	-31.82	351.70	11.83	-19.99
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=NC=C1Br	REAL300012056622	0	35	0.0	-25.63	312.10	8.48	-17.15
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056623	0	39	0.0	-38.85	354.29	6.37	-32.48
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012056624	0	42	0.0	-27.34	353.43	10.37	-16.97
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(F)=C1	REAL300012056625	0	41	0.0	-39.85	361.04	4.66	-35.19
CC(C)N1C=CN=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056627	0	42	0.0	-26.18	343.38	9.55	-16.63
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056628	0	38	0.0	-29.26	327.66	8.88	-20.38
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056629	0	39	0.0	-33.85	339.52	8.32	-25.53
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056630	0	43	0.0	-30.51	353.24	9.37	-21.14
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056631	0	46	0.0	-28.19	367.37	9.80	-18.39
CC1=C2C=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])NC2=CC=C1	REAL300012056632	0	43	0.0	-31.61	355.36	10.31	-21.30
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012056633	0	42	0.0	-29.73	353.81	8.86	-20.87
CC1=CC=C2C=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])NC2=C1	REAL300012056634	0	43	0.0	-31.03	355.82	10.32	-20.71
CCOC1=CN=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056635	0	42	0.0	-31.98	347.53	8.09	-23.89
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012056636	0	35	0.0	-26.23	308.49	8.39	-17.84
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012056637	0	47	0.0	-32.09	376.91	8.29	-23.80
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012056638	0	39	0.0	-34.14	327.32	8.38	-25.76
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056639	0	44	0.0	-34.67	342.04	10.10	-24.57
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012056640	0	40	0.0	-31.65	332.57	9.71	-21.94
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012056641	0	39	0.0	-39.56	333.85	7.16	-32.40
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012056642	0	38	0.0	-33.41	330.62	8.76	-24.65
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056643	0	45	0.0	-31.86	373.70	10.11	-21.75
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012056644	0	46	0.0	-32.42	375.71	7.13	-25.29
COC1=CN=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1C	REAL300012056645	0	42	0.0	-30.22	339.61	7.74	-22.48
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300012056646	0	49	0.0	-31.55	391.27	12.81	-18.74
CC(C)(C)OC(=O)NC(C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-])CC(F)F	REAL300012056647	0	52	0.0	-34.57	407.84	8.49	-26.08
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012056648	0	46	0.0	-40.69	377.54	7.30	-33.39
CCCN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])N=N1	REAL300012056649	0	41	0.0	-29.62	340.97	7.79	-21.83
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056650	0	44	0.0	-27.92	359.33	9.78	-18.14
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012056651	0	40	0.0	-27.46	332.61	10.33	-17.13
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012056652	0	41	0.0	-38.98	348.66	10.12	-28.86
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1C	REAL300012056653	0	49	0.0	-32.86	389.48	12.74	-20.12
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056654	0	41	0.0	-38.07	355.42	4.63	-33.44
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012056655	1	39	0.0	-33.19	331.24	7.02	-26.17
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012056656	0	45	0.0	-31.27	355.48	10.22	-21.05
CC1=NN(C)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1Cl	REAL300012056657	0	39	0.0	-31.29	340.29	8.33	-22.96
CN1C=CC(C2=NC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CS2)=N1	REAL300012056658	0	42	0.0	-40.06	369.98	8.11	-31.95
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012056659	0	49	0.0	-30.18	390.84	10.63	-19.55
CC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1Br	REAL300012056660	0	39	0.0	-25.04	337.02	10.84	-14.20
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012056661	0	47	0.0	-32.12	395.49	12.56	-19.56
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012056662	0	44	0.0	-30.89	356.23	10.35	-20.54
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056663	0	46	0.0	-34.35	373.37	9.54	-24.81
CCC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(Cl)=NN1	REAL300012056664	0	39	0.0	-31.62	335.33	7.90	-23.72
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012056665	0	40	0.0	-26.04	347.57	8.63	-17.41
CCC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=NO1	REAL300012056666	0	41	0.0	-28.97	339.92	9.25	-19.72
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012056667	0	48	0.0	-30.31	375.11	10.90	-19.41
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012056668	0	51	0.0	-25.20	390.42	11.53	-13.67
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300012056669	0	40	0.0	-31.69	335.98	9.16	-22.53
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012056670	0	35	0.0	-27.95	326.89	7.79	-20.16
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CN=C1F	REAL300012056671	0	38	0.0	-33.45	324.17	8.51	-24.94
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056672	0	38	0.0	-30.64	314.16	8.35	-22.29
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012056673	0	39	0.0	-32.65	341.73	10.68	-21.97
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1C	REAL300012056674	0	45	0.0	-34.44	372.09	10.88	-23.56
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300012056675	0	43	0.0	-29.03	341.87	9.47	-19.56
CC1=C(Cl)C=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1Cl	REAL300012056676	0	39	0.0	-30.31	347.16	11.17	-19.14
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056677	0	37	0.0	-31.99	335.74	10.62	-21.37
CC1CC2=CC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CC=C2O1	REAL300012056678	0	44	0.0	-31.06	358.26	10.28	-20.78
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012056679	0	39	0.0	-32.77	334.27	7.22	-25.55
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012056680	0	41	0.0	-26.79	336.95	9.51	-17.28
CSCC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056681	0	43	0.0	-30.96	367.36	11.56	-19.40
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012056682	0	46	0.0	-30.86	374.77	10.47	-20.39
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056683	0	44	0.0	-30.69	357.87	7.32	-23.37
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056684	0	43	0.0	-31.21	347.92	9.15	-22.06
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012056685	0	43	0.0	-28.37	347.46	9.40	-18.97
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012056686	0	43	0.0	-32.53	348.53	9.43	-23.10
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056687	0	49	0.0	-27.24	400.66	11.13	-16.11
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056688	0	46	0.0	-30.90	387.03	10.67	-20.23
COC1=CC=C(C)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056689	0	43	0.0	-30.84	346.85	9.63	-21.21
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=C21	REAL300012056690	0	42	0.0	-31.39	340.93	10.96	-20.43
CCC1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056691	0	42	0.0	-26.74	333.85	10.92	-15.82
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056692	0	46	0.0	-39.31	372.38	9.51	-29.80
CC1=CC(F)=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056693	0	39	0.0	-32.46	330.34	10.46	-22.00
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1C	REAL300012056694	0	45	0.0	-28.12	352.08	11.44	-16.68
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056695	0	46	0.0	-39.07	380.52	8.85	-30.22
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056696	0	48	0.0	-24.45	349.39	11.80	-12.65
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012056697	0	46	0.0	-32.19	357.26	10.07	-22.12
COC1=CC=C2SC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CC2=C1	REAL300012056698	0	43	0.0	-32.45	369.46	10.54	-21.91
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012056699	0	39	0.0	-32.87	329.31	9.29	-23.58
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056700	0	52	0.0	-37.55	413.50	11.45	-26.10
CCN1CCC2=CC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CC=C21	REAL300012056701	0	48	0.0	-30.48	375.01	9.86	-20.62
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056702	0	49	0.0	-39.32	395.43	10.58	-28.74
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=NN1C(C)C	REAL300012056703	0	45	0.0	-32.40	363.22	9.51	-22.89
CSC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1Cl	REAL300012056704	0	40	0.0	-31.17	357.76	11.19	-19.98
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012056705	0	46	0.0	-28.87	368.27	12.30	-16.57
CCOC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=N1	REAL300012056706	0	42	0.0	-34.29	351.47	7.36	-26.93
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1C1CC1	REAL300012056707	0	46	0.0	-28.51	368.24	12.30	-16.21
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C(C)=C2)C=C1	REAL300012056708	0	49	0.0	-35.09	396.37	12.01	-23.08
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012056709	0	42	0.0	-32.01	372.46	11.56	-20.45
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056710	0	46	0.0	-33.15	387.89	11.86	-21.29
CCC1=CC(Br)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056711	0	39	0.0	-24.87	353.41	10.87	-14.00
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=C2)C=C1Cl	REAL300012056712	0	46	0.0	-36.30	399.48	12.01	-24.29
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])O2)N1	REAL300012056713	0	43	0.0	-37.72	368.96	8.44	-29.28
COCCOC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300012056714	0	44	0.0	-33.56	369.61	8.39	-25.17
CC(C)(C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012056715	0	45	0.0	-32.76	371.89	12.06	-20.70
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056716	0	48	0.0	-31.18	383.88	9.95	-21.23
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012056717	0	39	0.0	-29.14	332.24	8.40	-20.74
CCN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=N1	REAL300012056718	0	42	0.0	-30.46	346.52	8.96	-21.50
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012056719	0	36	0.0	-30.46	339.23	10.80	-19.66
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300012056720	0	52	0.0	-24.24	411.83	14.12	-10.12
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012056721	0	43	0.0	-29.52	355.25	9.63	-19.89
COC1=CC=CC(C2=CSC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=N2)=C1	REAL300012056722	0	46	0.0	-29.51	395.10	9.78	-19.73
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056723	0	48	0.0	-36.57	396.00	9.08	-27.49
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012056724	0	53	0.0	-39.48	416.05	11.61	-27.87
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056725	0	43	0.0	-31.65	353.57	9.33	-22.32
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056726	0	46	0.0	-34.10	372.10	12.60	-21.50
CC(C)C1=NOC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056727	0	41	0.0	-32.68	338.56	8.93	-23.75
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012056728	0	40	0.0	-33.40	354.79	9.07	-24.33
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012056729	1	46	0.0	-34.02	374.80	6.17	-27.85
COC1=NC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1F	REAL300012056730	0	39	0.0	-29.21	335.20	6.48	-22.73
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012056731	0	36	0.0	-25.98	334.65	10.63	-15.35
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012056732	0	36	0.0	-36.18	332.07	10.38	-25.80
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012056733	0	36	0.0	-37.60	318.59	9.64	-27.96
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012056734	0	48	0.0	-30.20	386.47	11.28	-18.92
CC1=C(C)SC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300012056735	1	38	0.0	-26.84	326.69	8.13	-18.71
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012056736	0	45	0.0	-40.69	379.36	10.03	-30.66
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012056737	0	56	0.0	-37.63	426.27	10.73	-26.90
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056738	0	38	0.0	-24.87	329.83	8.90	-15.97
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012056739	0	42	0.0	-34.88	376.41	7.64	-27.24
CC1OC2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=C2C1C	REAL300012056740	0	47	0.0	-31.55	374.66	10.78	-20.77
CC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC(F)F	REAL300012056741	0	43	0.0	-33.06	359.71	9.97	-23.09
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056742	0	48	0.0	-27.02	368.77	12.01	-15.01
CN1N=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012056743	0	42	0.0	-36.50	348.05	4.79	-31.71
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012056744	0	39	0.0	-33.16	340.30	7.59	-25.57
CC(C)CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])N=N1	REAL300012056745	0	44	0.0	-30.04	357.98	8.46	-21.58
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012056746	1	39	0.0	-26.42	336.20	8.88	-17.54
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012056747	0	36	0.0	-33.99	323.59	7.06	-26.93
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012056748	0	41	0.0	-29.85	337.06	9.52	-20.33
CN1C=C(Cl)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300012056749	0	36	0.0	-28.78	320.68	7.89	-20.89
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=CS1	REAL300012056750	0	39	0.0	-29.26	343.70	6.64	-22.62
CSC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056751	0	40	0.0	-28.41	340.59	10.66	-17.75
CC(C)C1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])N(C)N=C1	REAL300012056752	0	45	0.0	-30.24	364.65	9.22	-21.02
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC(C)=N1	REAL300012056753	0	41	0.0	-31.52	339.35	9.12	-22.40
CC1=C(Br)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C(C)S1	REAL300012056754	0	39	0.0	-23.47	347.39	10.56	-12.91
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012056755	0	46	0.0	-28.42	387.01	10.91	-17.51
CCCN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=N1	REAL300012056756	0	45	0.0	-30.18	368.02	9.72	-20.46
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012056757	0	38	0.0	-34.33	323.00	8.37	-25.96
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012056758	0	43	0.0	-29.23	365.58	11.89	-17.34
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012056759	0	44	0.0	-31.23	363.11	10.69	-20.54
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012056760	0	40	0.0	-26.97	351.92	9.45	-17.52
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012056761	0	42	0.0	-30.61	373.73	11.60	-19.01
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300012056762	0	49	0.0	-34.55	395.89	12.71	-21.84
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=C2)C=N1	REAL300012056763	0	49	0.0	-36.63	400.30	13.33	-23.30
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056764	0	43	0.0	-34.06	359.01	7.99	-26.07
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012056765	0	50	0.0	-29.64	397.49	13.75	-15.89
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056767	0	46	0.0	-32.97	379.17	8.79	-24.18
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012056768	0	42	0.0	-28.32	354.60	10.86	-17.46
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012056769	0	43	0.0	-31.52	349.65	8.63	-22.89
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056770	0	46	0.0	-33.07	381.32	10.80	-22.27
CCCN1C=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300012056771	0	42	0.0	-28.19	347.15	9.02	-19.17
CC(C)N1C=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300012056772	0	42	0.0	-32.80	345.61	8.81	-23.99
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056773	0	47	0.0	-31.68	373.97	10.22	-21.46
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012056774	0	39	0.0	-32.32	343.52	8.76	-23.56
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012056775	0	46	0.0	-26.97	375.33	11.75	-15.22
CN1C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=NC2=C1CCCC2	REAL300012056776	0	46	0.0	-26.92	365.25	10.40	-16.52
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056777	0	39	0.0	-27.91	345.17	6.91	-21.00
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012056778	0	39	0.0	-37.55	334.67	8.38	-29.17
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012056779	0	39	0.0	-27.73	337.03	10.54	-17.19
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012056780	0	44	0.0	-28.94	347.92	9.68	-19.26
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056781	0	43	0.0	-27.19	367.94	10.47	-16.72
COC1=NN(C)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056782	0	40	0.0	-36.63	338.28	5.46	-31.17
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012056783	1	40	0.0	-27.56	340.63	7.02	-20.54
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012056784	0	43	0.0	-31.86	364.75	9.62	-22.24
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012056785	1	43	0.0	-31.31	346.80	10.55	-20.76
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012056786	0	38	0.0	-35.48	337.15	10.46	-25.02
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012056787	0	49	0.0	-29.72	385.90	10.73	-18.99
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012056788	0	43	0.0	-31.27	375.11	11.16	-20.11
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012056789	0	36	0.0	-28.72	334.44	10.40	-18.32
CN(CCO)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300012056790	0	47	0.0	-33.06	382.14	7.29	-25.77
COC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012056791	0	52	0.0	-25.30	394.89	11.41	-13.89
CN1C=C(Br)N=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056792	0	36	0.0	-27.38	322.38	8.53	-18.85
COC1=CC(C)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300012056793	0	42	0.0	-30.11	341.72	6.95	-23.16
COC1=CC(C)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1O	REAL300012056794	0	44	0.0	-33.31	357.54	7.45	-25.86
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012056795	0	42	0.0	-42.81	357.97	8.79	-34.02
CN1C(=O)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012056796	0	45	0.0	-40.24	366.85	10.42	-29.82
COC1=NC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1C	REAL300012056797	0	42	0.0	-33.04	347.67	7.03	-26.01
CCCN1C=NC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056798	0	42	0.0	-30.29	336.87	10.44	-19.85
CC1=CC(C)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1Br	REAL300012056799	0	45	0.0	-28.07	366.78	11.71	-16.36
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012056800	0	43	0.0	-38.44	359.67	9.67	-28.77
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012056801	0	49	0.0	-28.92	392.36	13.20	-15.72
CCC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=NN1CC	REAL300012056802	0	45	0.0	-28.57	361.92	9.65	-18.92
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012056803	0	36	0.0	-28.56	328.04	10.22	-18.34
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056804	0	53	0.0	-33.99	423.01	9.93	-24.06
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012056805	0	40	0.0	-31.66	332.86	8.14	-23.52
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012056806	0	40	0.0	-33.86	346.22	9.28	-24.58
COC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=CS1	REAL300012056807	0	37	0.0	-26.96	324.07	8.14	-18.82
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012056808	0	39	0.0	-25.88	341.91	9.50	-16.38
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056809	0	42	0.0	-29.44	354.42	11.20	-18.24
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012056810	0	42	0.0	-32.07	365.49	10.50	-21.57
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300012056811	0	43	0.0	-36.86	361.61	7.33	-29.53
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1Cl	REAL300012056812	0	45	0.0	-28.86	382.70	9.95	-18.91
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012056813	0	42	0.0	-34.35	367.05	8.97	-25.38
N#CC1=CC(F)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(Br)=C1	REAL300012056814	0	37	0.0	-30.44	345.42	10.56	-19.88
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012056815	0	36	0.0	-28.18	319.81	9.90	-18.28
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012056816	0	43	0.0	-31.24	368.13	12.15	-19.09
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056817	0	45	0.0	-30.86	363.18	8.51	-22.35
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012056818	0	42	0.0	-28.03	358.05	12.28	-15.75
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012056819	0	53	0.0	-25.91	411.85	12.54	-13.37
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012056820	0	47	0.0	-32.07	407.99	13.09	-18.98
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056821	0	43	0.0	-27.82	349.65	11.59	-16.23
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012056822	0	56	0.0	-28.30	432.18	13.23	-15.07
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=C2)=C1	REAL300012056823	0	51	0.0	-35.74	420.76	11.87	-23.87
CCN1CCCC2=CC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=CC=C21	REAL300012056824	0	51	0.0	-29.73	391.75	10.86	-18.87
COCC1=CN=C(OC)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056825	0	46	0.0	-30.87	381.10	6.22	-24.65
CN1N=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1Br	REAL300012056826	0	36	0.0	-28.87	323.97	7.88	-20.99
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056827	0	51	0.0	-36.31	421.47	12.50	-23.81
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012056828	0	39	0.0	-31.87	329.02	7.75	-24.12
COCC1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056829	0	43	0.0	-28.32	348.96	9.56	-18.76
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012056830	0	49	0.0	-31.40	411.59	14.43	-16.97
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012056831	0	40	0.0	-29.89	356.77	11.10	-18.79
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012056832	0	49	0.0	-33.17	395.76	10.40	-22.77
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012056833	0	44	0.0	-30.93	356.27	9.81	-21.12
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012056834	0	40	0.0	-32.72	338.33	5.04	-27.68
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012056835	0	42	0.0	-27.93	363.25	11.82	-16.11
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012056836	0	42	0.0	-35.89	357.18	7.89	-28.00
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1OC	REAL300012056837	0	44	0.0	-28.85	366.84	9.01	-19.84
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012056838	0	39	0.0	-36.17	328.62	9.26	-26.91
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300012056839	0	43	0.0	-33.17	356.37	7.92	-25.25
CC1=CC=C(F)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1Br	REAL300012056840	0	39	0.0	-27.91	344.13	10.81	-17.10
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012056841	0	59	0.0	-30.02	454.70	14.02	-16.00
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012056842	0	50	0.0	-29.22	402.12	12.08	-17.14
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056843	0	42	0.0	-34.28	343.04	11.22	-23.06
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1OCCO	REAL300012056844	0	48	0.0	-35.91	394.50	6.76	-29.15
CCN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012056845	0	46	0.0	-31.93	376.77	10.50	-21.43
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1OCCO	REAL300012056846	0	48	0.0	-36.95	394.51	6.76	-30.19
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012056847	0	46	0.0	-36.37	385.71	8.65	-27.72
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056848	0	44	0.0	-36.52	350.17	9.46	-27.06
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012056849	0	41	0.0	-33.28	342.24	10.16	-23.12
CC1=CC2=CC=CC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=C2O1	REAL300012056850	0	42	0.0	-27.21	351.75	10.87	-16.34
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012056851	0	39	0.0	-38.17	335.63	10.79	-27.38
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012056852	0	43	0.0	-32.30	375.27	10.41	-21.89
COC1=CSC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1OC	REAL300012056853	0	41	0.0	-27.19	353.13	7.68	-19.51
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012056854	0	42	0.0	-32.97	347.27	9.80	-23.17
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012056855	0	39	0.0	-26.35	341.28	8.71	-17.64
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])SC=C1	REAL300012056856	0	39	0.0	-32.37	339.16	6.76	-25.61
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056857	0	39	0.0	-41.69	345.03	5.27	-36.42
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012056858	0	39	0.0	-34.31	345.54	10.71	-23.60
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1F	REAL300012056859	0	46	0.0	-31.81	376.73	10.61	-21.20
CCN1C=C(Cl)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300012056860	0	39	0.0	-30.05	342.18	8.74	-21.31
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012056861	0	36	0.0	-36.21	327.80	10.27	-25.94
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012056862	0	39	0.0	-30.29	334.71	10.58	-19.71
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012056863	0	42	0.0	-33.04	351.76	11.94	-21.10
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056864	0	39	0.0	-36.67	354.76	6.33	-30.34
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012056865	0	33	0.0	-29.03	308.23	9.24	-19.79
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012056866	0	46	0.0	-29.06	369.84	10.09	-18.97
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012056867	0	43	0.0	-32.67	375.94	11.38	-21.29
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056868	0	49	0.0	-28.52	387.43	10.72	-17.80
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012056869	0	39	0.0	-32.49	331.94	8.44	-24.05
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056870	0	46	0.0	-31.31	381.94	10.35	-20.96
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012056871	0	39	0.0	-37.54	344.09	11.18	-26.36
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012056872	0	35	0.0	-29.05	317.08	8.32	-20.73
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012056873	0	43	0.0	-32.97	365.61	10.93	-22.04
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056874	0	43	0.0	-28.31	354.21	7.74	-20.57
COC1=NC(C)=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1Cl	REAL300012056875	0	45	0.0	-29.90	371.90	7.79	-22.11
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056876	0	45	0.0	-34.44	376.15	10.01	-24.43
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012056877	0	43	0.0	-32.87	350.75	9.40	-23.47
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012056878	0	39	0.0	-34.27	337.77	8.50	-25.77
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012056879	0	40	0.0	-30.84	347.16	9.13	-21.71
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056880	0	52	0.0	-28.59	404.69	11.28	-17.31
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012056881	0	47	0.0	-31.11	375.81	8.29	-22.82
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056882	0	50	0.0	-30.87	397.60	8.94	-21.93
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012056883	0	46	0.0	-27.11	367.03	10.04	-17.07
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056884	0	38	0.0	-36.34	348.34	3.72	-32.62
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012056885	0	35	0.0	-27.32	326.22	8.72	-18.60
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012056886	0	51	0.0	-40.01	407.39	9.18	-30.83
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056887	0	49	0.0	-29.56	387.87	10.74	-18.82
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012056888	0	39	0.0	-32.51	325.56	10.65	-21.86
CC1=CC(Br)=C(F)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056889	0	39	0.0	-32.65	346.89	10.96	-21.69
COC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1Br	REAL300012056890	0	40	0.0	-26.28	347.42	9.61	-16.67
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012056891	0	39	0.0	-37.93	328.82	8.43	-29.50
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012056892	0	36	0.0	-36.72	328.24	10.29	-26.43
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056893	0	39	0.0	-30.92	319.35	10.27	-20.65
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])=C2)C=N1	REAL300012056894	0	46	0.0	-33.91	382.66	11.02	-22.89
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012056895	0	46	0.0	-39.83	387.78	12.09	-27.74
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056896	0	39	0.0	-30.31	338.66	10.95	-19.36
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056897	0	41	0.0	-30.60	350.98	9.48	-21.12
COC1=NC2=CC=C(C[NH2+]C(CC3=CC=C(F)C=C3)C(=O)[O-])C=C2S1	REAL300012056898	0	42	0.0	-33.35	366.97	7.54	-25.81
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012056899	0	35	0.0	-32.40	318.87	8.45	-23.95
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012056900	0	36	0.0	-26.18	336.02	10.72	-15.46
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056901	0	38	0.0	-30.13	328.00	8.91	-21.22
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056902	0	52	0.0	-28.91	414.32	12.06	-16.85
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056903	0	40	0.0	-31.17	348.76	9.53	-21.64
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012056904	0	39	0.0	-36.00	350.62	10.96	-25.04
COC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CC(F)=C1F	REAL300012056905	0	40	0.0	-33.94	342.39	9.07	-24.87
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056906	0	42	0.0	-28.95	347.73	7.91	-21.04
CC(C)N1C=NC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056907	0	42	0.0	-34.29	346.03	10.28	-24.01
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056908	0	43	0.0	-30.10	363.27	7.27	-22.83
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012056909	0	42	0.0	-28.43	350.44	10.08	-18.35
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1C	REAL300012056910	0	46	0.0	-36.40	384.94	9.46	-26.94
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300012056911	0	43	0.0	-31.44	356.28	9.87	-21.57
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056912	0	42	0.0	-26.71	352.77	11.24	-15.47
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012056913	0	37	0.0	-25.93	334.70	7.41	-18.52
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012056914	0	39	0.0	-27.16	338.54	8.64	-18.52
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056915	0	37	0.0	-35.52	328.47	10.13	-25.39
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012056916	0	52	0.0	-28.74	403.09	13.49	-15.25
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056917	0	44	0.0	-35.41	361.98	10.37	-25.04
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])SC(Br)=C1	REAL300012056918	0	36	0.0	-30.09	332.95	10.13	-19.96
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056919	0	46	0.0	-29.90	370.28	10.09	-19.81
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012056920	0	42	0.0	-36.62	355.75	9.08	-27.54
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012056921	0	44	0.0	-33.86	370.43	10.02	-23.84
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056922	0	45	0.0	-30.70	384.92	9.99	-20.71
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056923	0	48	0.0	-26.39	397.56	11.72	-14.67
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056924	0	43	0.0	-31.33	363.36	8.89	-22.44
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012056925	0	49	0.0	-30.78	404.04	14.14	-16.64
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056926	0	52	0.0	-37.82	420.91	10.93	-26.89
COC1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=N1	REAL300012056927	0	42	0.0	-29.86	343.31	6.97	-22.89
CCN(C)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300012056928	0	50	0.0	-27.80	387.29	11.59	-16.21
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012056929	0	35	0.0	-25.77	329.85	8.91	-16.86
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012056930	0	33	0.0	-26.13	321.83	9.67	-16.46
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056931	0	57	0.0	-28.36	427.57	11.64	-16.72
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056932	0	47	0.0	-28.26	380.24	9.10	-19.16
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012056933	0	39	0.0	-31.93	330.54	10.54	-21.39
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012056934	0	40	0.0	-31.60	363.24	10.03	-21.57
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012056935	0	46	0.0	-32.52	389.78	12.50	-20.02
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012056936	0	39	0.0	-30.89	338.13	11.05	-19.84
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012056937	0	45	0.0	-33.87	371.97	11.39	-22.48
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1CO	REAL300012056938	0	40	0.0	-29.85	326.71	7.16	-22.69
CC1=NSC(C)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056939	0	38	0.0	-28.74	321.69	8.46	-20.28
CC(C)(C)C1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=NO1	REAL300012056940	0	44	0.0	-29.19	343.14	9.61	-19.58
CC1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1C(F)(F)F	REAL300012056941	0	42	0.0	-34.49	347.45	11.32	-23.17
C=CCN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300012056942	0	40	0.0	-33.62	337.53	8.86	-24.76
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012056943	0	39	0.0	-33.04	327.45	8.39	-24.65
CCC(C)C1=CC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012056944	0	48	0.0	-29.36	381.24	12.32	-17.04
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012056945	0	38	0.0	-30.91	345.19	8.99	-21.92
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012056946	0	41	0.0	-28.98	368.28	10.06	-18.92
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012056947	0	43	0.0	-26.92	362.17	8.33	-18.59
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056948	0	49	0.0	-34.89	400.67	12.20	-22.69
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300012056949	0	41	0.0	-34.49	350.31	9.62	-24.87
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012056950	0	36	0.0	-27.00	333.38	10.40	-16.60
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012056951	0	46	0.0	-26.90	353.82	11.97	-14.93
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012056952	0	38	0.0	-34.64	352.04	11.01	-23.63
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056953	0	43	0.0	-32.18	363.06	11.63	-20.55
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012056954	0	39	0.0	-29.07	346.01	10.74	-18.33
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012056955	0	42	0.0	-41.38	354.93	9.64	-31.74
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C=CC2=CC=CC=C12	REAL300012056956	0	45	0.0	-28.24	354.47	12.30	-15.94
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056957	0	54	0.0	-30.55	424.43	11.26	-19.29
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056958	0	44	0.0	-27.02	361.24	9.06	-17.96
CC1=NC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C(C)S1	REAL300012056959	0	38	0.0	-32.18	328.03	8.13	-24.05
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012056960	0	49	0.0	-31.47	387.97	6.65	-24.82
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056961	0	48	0.0	-28.85	389.43	8.31	-20.54
CCCN1N=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1C	REAL300012056962	0	45	0.0	-32.92	365.43	9.61	-23.31
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012056963	0	53	0.0	-23.80	410.03	11.82	-11.98
O=C([O-])C(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012056964	0	50	0.0	-27.64	416.10	13.23	-14.41
CC1=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012056965	0	44	0.0	-31.08	357.92	10.73	-20.35
CC1=CC(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012056966	0	45	0.0	-35.36	374.09	11.04	-24.32
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012056967	0	43	0.0	-39.17	363.16	9.80	-29.37
COC1=CC=C(Br)C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1O	REAL300012056968	0	41	0.0	-29.42	355.08	7.25	-22.17
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012056969	0	45	0.0	-28.11	362.35	9.55	-18.56
CN1C=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012056970	0	46	0.0	-32.21	373.41	10.12	-22.09
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300012056971	1	44	0.0	-29.18	360.44	7.16	-22.02
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=C1	REAL300012056972	0	47	0.0	-27.14	368.47	11.08	-16.06
CC1=CC=C(C)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012056973	0	47	0.0	-30.03	373.56	11.30	-18.73
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012056974	0	46	0.0	-36.62	378.44	10.38	-26.24
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1CC2C=CC1C2	REAL300012056975	0	46	0.0	-36.13	354.06	10.53	-25.60
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1CCCCC1	REAL300012056976	0	47	0.0	-33.88	358.32	10.34	-23.54
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012056977	0	53	0.0	-30.90	412.19	12.30	-18.60
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012056978	0	48	0.0	-32.20	388.22	9.67	-22.53
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012056979	0	38	0.0	-28.36	338.39	8.77	-19.59
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012056980	0	51	0.0	-33.33	415.79	11.81	-21.52
CCOC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1OC	REAL300012056981	0	52	0.0	-34.41	417.91	10.14	-24.27
CCCCCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012056982	0	57	0.0	-30.95	453.17	12.54	-18.41
CC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1C	REAL300012056983	0	47	0.0	-27.73	366.45	11.03	-16.70
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1C	REAL300012056984	0	47	0.0	-29.19	375.75	11.15	-18.04
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012056985	0	51	0.0	-28.42	405.15	10.93	-17.49
CCCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1OC	REAL300012056986	0	55	0.0	-33.77	438.09	10.90	-22.87
C=CCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1OC	REAL300012056987	0	53	0.0	-34.62	430.82	10.72	-23.90
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012056988	0	51	0.0	-32.99	419.39	11.61	-21.38
CCC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012056989	0	50	0.0	-31.89	405.75	11.89	-20.00
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012056990	0	45	0.0	-28.53	380.58	9.84	-18.69
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012056991	0	48	0.0	-30.75	397.32	7.71	-23.04
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(Cl)=C1	REAL300012056992	0	45	0.0	-31.16	378.52	9.67	-21.49
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012056993	0	45	0.0	-33.74	381.98	9.77	-23.97
N#CC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012056994	0	42	0.0	-36.39	356.80	10.29	-26.10
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012056995	0	48	0.0	-32.74	400.13	9.92	-22.82
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012056996	0	51	0.0	-33.22	413.95	10.50	-22.72
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012056997	0	45	0.0	-31.20	371.24	8.75	-22.45
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012056998	0	44	0.0	-30.24	374.21	11.40	-18.84
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012056999	0	47	0.0	-31.32	383.39	10.44	-20.88
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])O2)C=C1	REAL300012057000	0	51	0.0	-29.14	417.60	12.48	-16.66
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])O1	REAL300012057001	0	48	0.0	-33.09	391.66	9.40	-23.69
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012057002	0	47	0.0	-29.16	387.27	7.97	-21.19
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012057003	0	38	0.0	-28.78	344.54	9.68	-19.10
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012057004	0	46	0.0	-29.18	377.09	10.55	-18.63
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057005	0	50	0.0	-28.43	408.13	8.95	-19.48
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012057006	0	48	0.0	-35.49	394.34	11.18	-24.31
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012057007	0	47	0.0	-37.97	390.60	12.55	-25.42
CCC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])O1	REAL300012057008	1	44	0.0	-28.70	361.41	9.69	-19.01
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012057009	0	41	0.0	-31.65	349.24	10.04	-21.61
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012057010	0	41	0.0	-27.95	354.26	10.46	-17.49
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012057011	0	41	0.0	-33.90	359.90	10.58	-23.32
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012057012	0	44	0.0	-35.28	381.63	11.07	-24.21
CCOC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057013	0	48	0.0	-31.42	387.30	10.14	-21.28
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1F	REAL300012057014	0	44	0.0	-34.40	362.71	10.69	-23.71
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012057015	0	41	0.0	-27.96	363.15	10.80	-17.16
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012057016	0	44	0.0	-34.51	372.26	11.07	-23.44
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012057017	0	41	0.0	-36.85	354.99	10.16	-26.69
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012057018	0	44	0.0	-34.42	382.45	11.08	-23.34
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012057019	0	44	0.0	-29.43	380.84	11.01	-18.42
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012057020	0	44	0.0	-29.04	374.66	11.49	-17.55
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012057021	0	41	0.0	-33.35	358.58	10.55	-22.80
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012057022	0	40	0.0	-27.39	342.91	8.53	-18.86
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057023	0	50	0.0	-30.89	400.36	9.58	-21.31
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057024	0	50	0.0	-30.36	417.41	9.96	-20.40
COCCOC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057025	0	52	0.0	-34.28	422.25	9.45	-24.83
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1Cl	REAL300012057026	0	45	0.0	-32.91	381.52	9.83	-23.08
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057028	1	53	0.0	-33.79	417.32	11.48	-22.31
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012057029	0	47	0.0	-31.88	380.14	9.17	-22.71
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012057030	0	50	0.0	-29.21	398.91	10.01	-19.20
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057031	1	53	0.0	-33.41	420.61	11.99	-21.42
CCCOC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057032	0	51	0.0	-31.28	408.80	10.94	-20.34
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012057033	0	48	0.0	-29.76	403.31	12.54	-17.22
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012057034	0	55	0.0	-31.33	430.05	12.11	-19.22
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057035	0	51	0.0	-31.11	404.43	10.79	-20.32
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012057039	0	55	0.0	-30.22	431.05	12.21	-18.01
COCCCOC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057040	0	55	0.0	-33.78	443.80	10.05	-23.73
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])OC=C1	REAL300012057041	1	41	0.0	-27.71	336.20	8.64	-19.07
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CN=C1Cl	REAL300012057042	0	43	0.0	-34.13	367.77	9.18	-24.95
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012057043	0	46	0.0	-30.24	392.42	10.96	-19.28
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012057044	0	46	0.0	-31.88	381.34	10.49	-21.39
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012057045	0	46	0.0	-30.76	382.10	10.52	-20.24
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012057046	0	46	0.0	-32.21	391.50	10.92	-21.29
COC1=CC=C2OC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=CC2=C1	REAL300012057047	0	48	0.0	-30.97	393.30	9.72	-21.25
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012057048	0	45	0.0	-33.34	385.11	11.76	-21.58
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012057049	0	47	0.0	-33.22	385.59	11.15	-22.07
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012057050	0	44	0.0	-32.67	365.19	10.32	-22.35
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012057051	1	49	0.0	-30.03	402.77	11.66	-18.37
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1Br	REAL300012057052	0	44	0.0	-33.33	375.48	11.16	-22.17
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N=C1	REAL300012057053	0	43	0.0	-27.78	353.68	8.77	-19.01
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012057054	0	45	0.0	-36.61	378.95	11.38	-25.23
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1Br	REAL300012057055	0	44	0.0	-32.67	376.81	11.21	-21.46
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012057056	0	48	0.0	-30.20	396.16	11.07	-19.13
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012057057	0	38	0.0	-25.37	340.11	9.45	-15.92
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012057058	0	46	0.0	-30.12	388.43	10.27	-19.85
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012057059	0	45	0.0	-35.73	373.54	9.96	-25.77
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012057060	0	45	0.0	-34.73	375.60	10.03	-24.70
CCOC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057061	0	47	0.0	-27.63	385.02	7.49	-20.14
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012057062	0	49	0.0	-35.16	396.40	11.13	-24.03
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1Cl	REAL300012057063	0	44	0.0	-32.71	372.78	11.12	-21.59
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012057064	0	43	0.0	-33.68	367.03	9.42	-24.26
CCCC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057065	0	50	0.0	-31.15	401.70	12.23	-18.92
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1F	REAL300012057066	0	55	0.0	-33.04	436.58	11.08	-21.96
COC1=CC=C2N=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])SC2=C1	REAL300012057067	1	47	0.0	-32.60	398.95	8.76	-23.84
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057068	0	47	0.0	-34.62	399.08	10.76	-23.86
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1C#N	REAL300012057069	0	46	0.0	-38.68	387.03	9.73	-28.95
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012057070	0	45	0.0	-31.36	387.14	11.22	-20.14
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057071	0	47	0.0	-26.99	381.99	11.35	-15.64
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012057072	0	45	0.0	-35.38	381.47	9.63	-25.75
CCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N=C1	REAL300012057073	0	47	0.0	-28.43	383.68	8.32	-20.11
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057074	0	47	0.0	-29.59	386.12	11.43	-18.16
CCCOC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1OC	REAL300012057075	0	55	0.0	-34.11	439.41	10.94	-23.17
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Br)S1	REAL300012057076	0	38	0.0	-28.16	347.85	9.75	-18.41
C=CCOC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057077	0	49	0.0	-31.60	400.21	10.72	-20.88
COC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1OC(C)C	REAL300012057078	0	55	0.0	-28.46	435.32	11.04	-17.42
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012057079	0	51	0.0	-33.81	410.96	8.98	-24.83
CC1=CC(C)=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1C	REAL300012057080	0	50	0.0	-27.48	387.18	11.67	-15.81
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012057081	0	48	0.0	-29.33	405.12	12.73	-16.60
CC(C)(C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012057082	0	50	0.0	-30.08	384.09	11.60	-18.48
CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012057083	0	57	0.0	-31.42	440.81	11.39	-20.03
CC1CCC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])CC1	REAL300012057084	0	50	0.0	-33.28	370.80	10.70	-22.58
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057085	0	53	0.0	-31.40	414.96	12.78	-18.62
CCC1CCCC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C1	REAL300012057086	0	53	0.0	-31.75	388.21	11.24	-20.51
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=CC3=CC=CC=C3N=C1)C(=O)[O-])=N2	REAL300012057087	1	53	0.0	-30.43	420.18	10.57	-19.86
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057088	0	47	0.0	-24.49	383.41	11.46	-13.03
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=CC2=C1	REAL300012057089	0	50	0.0	-29.40	402.13	11.64	-17.76
CCCC1CCC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])CC1	REAL300012057090	0	56	0.0	-33.35	417.56	12.33	-21.02
CC1CCCCC1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057091	0	50	0.0	-32.58	368.73	10.58	-22.00
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012057092	0	48	0.0	-38.11	393.27	12.41	-25.70
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012057093	1	48	0.0	-31.61	405.92	11.96	-19.65
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012057094	0	47	0.0	-35.46	397.78	9.71	-25.75
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057095	0	48	0.0	-29.18	385.50	9.94	-19.24
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1F	REAL300012057096	0	45	0.0	-34.69	373.04	9.40	-25.29
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012057097	0	50	0.0	-40.27	386.89	10.98	-29.29
CC(C)C1CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])CCO1	REAL300012057098	0	54	0.0	-36.22	407.10	10.03	-26.19
CC1(C)CCC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])CC1	REAL300012057099	0	53	0.0	-33.87	392.29	11.23	-22.64
CCSC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057100	0	48	0.0	-31.40	397.63	11.77	-19.63
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012057101	1	42	0.0	-34.48	367.16	7.70	-26.78
COC1(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])CCCCC1	REAL300012057102	0	51	0.0	-27.75	379.45	9.28	-18.47
CCN1N=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012057103	0	50	0.0	-28.95	409.03	10.74	-18.21
COCCC1(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])CCCCC1	REAL300012057104	0	57	0.0	-28.88	414.30	10.12	-18.76
CCCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057105	0	51	0.0	-30.97	410.18	10.98	-19.99
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012057106	0	44	0.0	-29.51	363.83	10.44	-19.07
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012057107	0	48	0.0	-29.25	396.20	11.81	-17.44
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012057108	0	55	0.0	-34.42	435.85	10.76	-23.66
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012057109	0	46	0.0	-36.15	384.19	11.32	-24.83
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057110	0	51	0.0	-30.57	406.60	10.80	-19.77
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1F	REAL300012057111	0	44	0.0	-33.47	364.04	10.72	-22.75
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012057112	0	45	0.0	-28.75	368.63	9.96	-18.79
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(Br)C=CS1	REAL300012057113	0	38	0.0	-28.64	346.99	9.66	-18.98
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012057114	0	54	0.0	-28.80	420.46	9.47	-19.33
CC(C)CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057115	0	53	0.0	-28.66	417.21	12.59	-16.07
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=C2)C=C1	REAL300012057116	0	54	0.0	-33.61	432.93	14.10	-19.51
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012057117	0	47	0.0	-39.52	392.83	10.76	-28.76
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012057118	0	41	0.0	-32.89	370.77	11.03	-21.86
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012057119	0	41	0.0	-32.52	358.29	10.52	-22.00
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057120	0	47	0.0	-28.97	367.14	11.00	-17.97
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012057121	1	38	0.0	-29.65	338.41	8.68	-20.97
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057122	0	54	0.0	-29.33	431.99	13.99	-15.34
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012057123	0	45	0.0	-32.82	375.20	9.49	-23.33
CCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1OCC	REAL300012057124	0	55	0.0	-33.72	438.44	11.02	-22.70
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012057125	0	41	0.0	-29.92	359.61	10.56	-19.36
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012057126	0	45	0.0	-31.98	381.94	9.71	-22.27
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012057127	0	41	0.0	-31.17	359.56	10.48	-20.69
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012057128	0	41	0.0	-34.12	350.13	10.16	-23.96
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012057129	0	41	0.0	-29.75	357.74	10.51	-19.24
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C2=CC=CC=C12	REAL300012057130	0	51	0.0	-29.73	401.19	11.28	-18.45
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012057131	0	48	0.0	-30.13	393.33	9.84	-20.29
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012057131	1	48	0.0	-30.58	395.80	9.87	-20.71
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012057132	0	41	0.0	-30.57	347.85	10.07	-20.50
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057133	0	47	0.0	-36.10	383.68	10.30	-25.80
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=N1	REAL300012057134	0	44	0.0	-32.27	364.31	6.65	-25.62
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012057135	0	46	0.0	-34.25	373.20	9.86	-24.39
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CSC(Br)=C1	REAL300012057136	0	38	0.0	-31.13	347.64	9.66	-21.47
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012057137	0	51	0.0	-30.90	410.16	13.32	-17.58
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012057138	0	52	0.0	-34.36	411.24	9.93	-24.43
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012057139	0	45	0.0	-29.50	366.06	9.90	-19.60
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057140	0	44	0.0	-29.55	355.13	10.54	-19.01
CC1=NC(C)=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057141	0	43	0.0	-28.41	359.87	8.33	-20.08
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012057142	0	50	0.0	-32.61	408.97	11.91	-20.70
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012057143	0	50	0.0	-34.39	406.50	11.59	-22.80
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012057144	0	50	0.0	-33.63	406.69	11.61	-22.02
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057145	0	56	0.0	-32.48	429.98	10.53	-21.95
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057146	0	48	0.0	-38.96	393.81	8.23	-30.73
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012057147	0	48	0.0	-35.06	402.55	11.30	-23.76
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012057148	0	47	0.0	-32.40	382.10	12.24	-20.16
COC1=C2OC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=CC2=CC=C1	REAL300012057149	0	48	0.0	-31.23	393.33	9.73	-21.50
CC(C)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012057150	0	52	0.0	-41.97	422.35	12.52	-29.45
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC(OC)=C1	REAL300012057151	0	49	0.0	-33.72	396.31	8.63	-25.09
COC1=CC2=CC=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])C=C2C=C1	REAL300012057152	0	51	0.0	-34.20	410.61	11.49	-22.71
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(Br)=CS1	REAL300012057154	0	38	0.0	-29.01	347.64	9.64	-19.37
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012057155	1	45	0.0	-30.66	397.80	10.52	-20.14
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012057156	0	47	0.0	-30.22	387.62	9.00	-21.22
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012057158	0	56	0.0	-31.65	428.92	11.26	-20.39
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1SC	REAL300012057159	0	49	0.0	-34.18	406.23	10.37	-23.81
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057160	0	52	0.0	-38.77	429.65	11.45	-27.32
C=CCC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC(OC)=C1O	REAL300012057161	0	53	0.0	-33.34	430.03	9.09	-24.25
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012057162	0	48	0.0	-33.42	396.67	9.88	-23.54
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057163	0	50	0.0	-33.91	415.47	10.91	-23.00
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012057164	0	47	0.0	-40.40	390.21	9.84	-30.56
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012057165	1	47	0.0	-30.85	400.46	10.78	-20.07
CN1C=NC2=CC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=CC=C21	REAL300012057166	0	47	0.0	-36.93	384.41	11.25	-25.68
CCN1N=C(C)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1C	REAL300012057167	0	50	0.0	-31.13	398.91	9.52	-21.61
C=CCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1Cl	REAL300012057168	0	49	0.0	-33.34	417.60	11.38	-21.96
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012057169	0	47	0.0	-33.60	402.34	11.04	-22.56
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012057170	0	53	0.0	-31.23	422.37	9.79	-21.44
CC1(C)CC2=CC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=CC=C2O1	REAL300012057171	0	52	0.0	-33.71	414.72	11.27	-22.44
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057174	0	51	0.0	-31.25	411.81	10.33	-20.92
CC1=CC=C(F)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057175	0	44	0.0	-26.36	361.87	10.62	-15.74
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057176	0	44	0.0	-32.39	357.23	10.67	-21.72
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(Br)=C1	REAL300012057177	0	44	0.0	-27.95	369.83	11.02	-16.93
CC1=NC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057178	0	43	0.0	-30.69	343.91	8.66	-22.03
CC(C)COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057179	0	54	0.0	-30.82	430.28	11.68	-19.14
COCCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057180	0	52	0.0	-33.48	422.30	9.45	-24.03
CC1(C)CCCC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C1	REAL300012057181	0	53	0.0	-32.97	392.30	11.22	-21.75
CC1=CCCC(C)C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057182	0	51	0.0	-27.95	379.78	11.27	-16.68
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC3=CC=CC=C3N=C1)C(=O)[O-])OCO2	REAL300012057183	0	48	0.0	-32.26	391.43	7.97	-24.29
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012057184	0	46	0.0	-29.84	370.68	10.25	-19.59
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057185	0	54	0.0	-31.10	428.90	11.63	-19.47
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057186	0	44	0.0	-28.93	365.47	10.98	-17.95
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012057187	0	45	0.0	-33.54	373.47	11.27	-22.27
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012057188	0	40	0.0	-32.81	348.98	8.59	-24.22
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012057189	0	40	0.0	-32.88	352.16	8.80	-24.08
CN1N=NC2=CC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=CC=C21	REAL300012057190	0	46	0.0	-39.45	380.01	8.35	-31.10
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1CCCCCC1	REAL300012057191	0	50	0.0	-28.81	368.21	10.67	-18.14
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=C2O1	REAL300012057192	0	52	0.0	-31.96	414.57	11.17	-20.79
COC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057193	0	44	0.0	-27.87	363.16	6.56	-21.31
CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012057194	0	51	0.0	-29.02	416.75	11.10	-17.92
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012057195	0	48	0.0	-39.75	395.73	11.22	-28.53
CC(C)N1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=N1	REAL300012057196	0	47	0.0	-35.18	380.33	9.21	-25.97
CC1=NC2=CC=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])C=C2C=C1	REAL300012057197	0	49	0.0	-36.84	400.01	10.99	-25.85
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012057198	0	43	0.0	-28.96	361.18	9.02	-19.94
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012057199	0	50	0.0	-35.30	406.25	13.40	-21.90
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012057200	0	44	0.0	-30.75	371.62	10.54	-20.21
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012057201	0	48	0.0	-36.25	401.69	10.50	-25.75
COCC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057202	0	48	0.0	-32.88	392.37	9.74	-23.14
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057203	0	54	0.0	-29.42	429.01	11.78	-17.64
COC1=CC(C)=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1OC	REAL300012057204	0	52	0.0	-31.07	407.41	9.66	-21.41
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057205	0	47	0.0	-29.27	401.15	10.83	-18.44
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012057206	0	45	0.0	-30.75	379.95	8.67	-22.08
CC1CCC2=C(C1)SC(C[NH2+]C(CC1=CC3=CC=CC=C3N=C1)C(=O)[O-])=N2	REAL300012057207	1	50	0.0	-29.34	406.63	10.37	-18.97
CC(C)(C)C1CCC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])CC1	REAL300012057208	0	59	0.0	-32.51	415.80	11.95	-20.56
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C(C)O1	REAL300012057209	0	44	0.0	-27.86	356.91	9.50	-18.36
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012057210	0	52	0.0	-30.68	420.37	11.75	-18.93
CC(C)CC1=NC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057211	0	49	0.0	-32.37	403.71	9.98	-22.39
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012057212	0	44	0.0	-30.43	394.17	10.05	-20.38
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012057213	0	44	0.0	-29.99	392.11	9.88	-20.11
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])S2)O1	REAL300012057214	0	47	0.0	-31.07	405.66	9.84	-21.23
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057215	0	44	0.0	-28.92	370.03	11.09	-17.83
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012057216	0	48	0.0	-39.80	391.91	10.01	-29.79
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012057217	0	44	0.0	-28.95	380.11	10.94	-18.01
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057218	0	52	0.0	-31.73	419.64	9.46	-22.27
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012057219	1	44	0.0	-31.76	366.58	9.08	-22.68
CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012057220	0	48	0.0	-31.52	395.34	10.10	-21.42
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057221	0	45	0.0	-32.47	365.49	9.28	-23.19
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012057222	0	48	0.0	-30.44	403.92	11.91	-18.53
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])O1	REAL300012057223	1	41	0.0	-28.39	338.61	8.86	-19.53
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1	REAL300012057224	0	41	0.0	-29.53	337.33	9.94	-19.59
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057225	0	49	0.0	-31.63	402.83	9.76	-21.87
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012057226	0	47	0.0	-33.16	380.52	9.06	-24.10
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012057227	0	41	0.0	-31.72	358.56	10.57	-21.15
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012057228	0	41	0.0	-31.71	354.00	10.46	-21.25
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012057229	0	48	0.0	-32.48	394.78	11.12	-21.36
CC(C)(C)N1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=N1	REAL300012057230	0	50	0.0	-32.64	400.07	9.84	-22.80
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC(C)=C1	REAL300012057231	0	47	0.0	-31.33	380.13	11.34	-19.99
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(CO)O1	REAL300012057232	1	42	0.0	-31.18	350.02	5.52	-25.66
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CS1	REAL300012057233	0	38	0.0	-32.28	327.53	9.13	-23.15
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057234	0	48	0.0	-38.07	393.70	8.83	-29.24
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012057235	0	41	0.0	-31.31	348.01	10.48	-20.83
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012057236	0	43	0.0	-40.13	365.48	10.63	-29.50
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012057237	0	43	0.0	-36.50	364.21	10.57	-25.93
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012057238	0	47	0.0	-29.65	374.87	12.01	-17.64
CN(C)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057239	0	49	0.0	-31.55	387.10	10.37	-21.18
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057240	0	55	0.0	-30.93	431.12	12.28	-18.65
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012057241	0	41	0.0	-30.17	357.31	10.53	-19.64
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012057242	0	41	0.0	-30.23	352.75	10.42	-19.81
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC(OC)=C1OC	REAL300012057243	0	53	0.0	-36.09	429.21	9.14	-26.95
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012057244	0	41	0.0	-27.63	356.63	10.39	-17.24
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012057245	0	41	0.0	-31.50	343.75	10.01	-21.49
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012057246	0	45	0.0	-30.40	373.91	9.55	-20.85
COC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1OC	REAL300012057247	0	49	0.0	-29.47	396.10	9.27	-20.20
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012057248	0	41	0.0	-27.49	364.58	10.90	-16.59
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012057249	0	54	0.0	-31.21	421.34	8.78	-22.43
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1OC	REAL300012057250	0	49	0.0	-34.74	396.06	9.22	-25.52
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(OC)=C1	REAL300012057251	0	49	0.0	-31.10	393.55	8.57	-22.53
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012057252	0	44	0.0	-32.23	376.05	10.96	-21.27
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012057253	0	41	0.0	-30.37	349.29	10.11	-20.26
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012057254	0	41	0.0	-28.80	365.19	10.92	-17.88
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012057255	0	41	0.0	-32.64	367.90	10.95	-21.69
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1CC=CCC1	REAL300012057256	0	45	0.0	-29.60	349.52	10.14	-19.46
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012057257	0	45	0.0	-32.19	376.58	9.54	-22.65
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012057258	0	44	0.0	-33.79	364.60	10.97	-22.82
CCCCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057259	0	54	0.0	-31.03	431.68	11.76	-19.27
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057260	0	57	0.0	-30.32	447.92	12.23	-18.09
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012057261	0	52	0.0	-33.25	424.65	12.76	-20.49
COC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057262	0	45	0.0	-31.57	365.45	9.21	-22.36
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057263	0	48	0.0	-31.96	382.82	11.72	-20.24
CCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1OC	REAL300012057264	0	52	0.0	-34.54	417.91	10.14	-24.40
CC(C)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057265	0	50	0.0	-28.61	396.24	11.83	-16.78
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012057266	0	44	0.0	-33.03	374.68	10.90	-22.13
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(OC)=C1OC	REAL300012057267	0	53	0.0	-30.57	427.87	9.17	-21.40
CCOC1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057268	0	48	0.0	-29.39	386.00	10.20	-19.19
CCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057269	0	48	0.0	-31.25	388.68	10.18	-21.07
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1F	REAL300012057270	0	41	0.0	-33.47	340.55	10.02	-23.45
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012057271	0	41	0.0	-32.68	343.68	10.02	-22.66
COC1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057272	0	45	0.0	-29.33	365.41	9.38	-19.95
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])SC=C1	REAL300012057273	0	41	0.0	-26.20	342.34	9.53	-16.67
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012057274	0	51	0.0	-31.26	411.56	13.36	-17.90
CC1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057275	0	44	0.0	-27.81	350.99	10.48	-17.33
COC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012057276	0	51	0.0	-29.99	405.37	11.44	-18.55
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057277	0	44	0.0	-28.90	357.40	10.58	-18.32
N#CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057278	0	42	0.0	-35.30	358.19	10.34	-24.96
CSC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057279	0	45	0.0	-32.13	376.20	11.00	-21.13
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012057280	0	41	0.0	-27.94	361.39	10.70	-17.24
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057281	0	53	0.0	-32.36	424.12	8.58	-23.78
CC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057282	0	44	0.0	-28.94	357.35	10.58	-18.36
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CSC=C1	REAL300012057283	0	38	0.0	-28.78	326.00	8.85	-19.93
CCC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057284	0	47	0.0	-29.37	380.23	11.39	-17.98
CC1=CC(C)=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=C1	REAL300012057285	0	50	0.0	-28.06	388.76	11.63	-16.43
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012057286	0	41	0.0	-29.98	347.96	10.00	-19.98
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012057287	0	41	0.0	-34.35	348.70	10.10	-24.25
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057288	0	41	0.0	-27.47	348.05	9.81	-17.66
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1Br	REAL300012057289	0	41	0.0	-30.50	349.84	10.54	-19.96
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1O	REAL300012057290	0	46	0.0	-33.49	376.25	7.12	-26.37
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057291	0	47	0.0	-33.37	376.85	8.71	-24.66
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057292	0	44	0.0	-29.93	375.46	8.67	-21.26
CCC1=NN(C)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057293	0	47	0.0	-32.58	381.17	9.08	-23.50
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012057294	0	44	0.0	-36.01	379.53	9.19	-26.82
CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012057295	0	53	0.0	-28.51	402.33	9.96	-18.55
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CN=C1	REAL300012057296	0	40	0.0	-33.01	332.14	8.24	-24.77
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NC=C1	REAL300012057297	0	40	0.0	-34.15	332.18	8.25	-25.90
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Cl)O1	REAL300012057298	1	38	0.0	-28.35	333.76	8.66	-19.69
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057299	0	53	0.0	-38.15	431.49	11.88	-26.27
CCOC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1OC	REAL300012057300	0	52	0.0	-28.65	416.63	10.15	-18.50
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057301	0	47	0.0	-30.04	393.05	10.85	-19.19
CC1=NOC(C)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057302	0	43	0.0	-32.07	354.45	8.72	-23.35
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012057304	0	48	0.0	-35.84	390.75	7.89	-27.95
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012057305	0	47	0.0	-36.84	391.74	9.81	-27.03
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC3=CC=CC=C3N=C1)C(=O)[O-])OC(C)C2	REAL300012057306	0	53	0.0	-30.70	422.42	9.91	-20.79
CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=N1	REAL300012057307	0	41	0.0	-33.74	338.76	7.72	-26.02
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1C	REAL300012057309	0	48	0.0	-30.60	385.60	9.95	-20.65
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057310	0	50	0.0	-28.85	382.29	8.80	-20.05
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057311	0	49	0.0	-27.95	392.33	8.62	-19.33
COC1=CC=C(F)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057313	0	45	0.0	-28.16	369.94	9.24	-18.92
CSC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057314	0	42	0.0	-28.27	369.46	10.23	-18.04
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057315	0	54	0.0	-27.68	423.68	13.64	-14.04
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012057316	0	44	0.0	-33.94	363.28	8.60	-25.34
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=CN=C1	REAL300012057317	0	39	0.0	-32.54	325.63	7.91	-24.63
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012057318	0	38	0.0	-29.15	342.82	9.56	-19.59
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057319	0	47	0.0	-38.02	396.71	7.42	-30.60
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057320	0	45	0.0	-31.38	371.85	9.44	-21.94
NC(=O)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057321	0	45	0.0	-38.78	371.89	6.73	-32.05
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1F	REAL300012057322	0	45	0.0	-34.89	371.72	9.34	-25.55
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057323	0	45	0.0	-29.76	380.02	9.81	-19.95
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=CS1	REAL300012057324	0	37	0.0	-30.83	322.02	7.20	-23.63
CN1C=NC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057325	0	41	0.0	-33.01	336.14	9.04	-23.97
COC(=O)C1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CN1C	REAL300012057326	0	48	0.0	-35.23	396.74	10.21	-25.02
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1Cl	REAL300012057327	0	44	0.0	-33.35	371.45	11.09	-22.26
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1C	REAL300012057328	0	48	0.0	-32.42	385.56	10.02	-22.40
CC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1F	REAL300012057330	0	44	0.0	-29.48	363.19	10.68	-18.80
N#CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(F)=C1	REAL300012057331	0	42	0.0	-37.60	363.65	10.36	-27.24
CC1=NNC(C)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057332	0	44	0.0	-30.61	356.47	7.51	-23.10
CC1=NNC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057333	0	41	0.0	-32.38	334.70	6.97	-25.41
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=NN1	REAL300012057333	1	41	0.0	-30.13	336.10	7.01	-23.12
CN1N=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057334	0	41	0.0	-31.93	337.89	7.52	-24.41
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012057335	0	40	0.0	-27.96	353.56	8.72	-19.24
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012057336	0	50	0.0	-30.90	409.63	7.23	-23.67
C#CCCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057337	0	50	0.0	-31.17	414.64	11.45	-19.72
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012057338	0	44	0.0	-30.56	364.32	10.45	-20.11
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])C=C12	REAL300012057339	0	49	0.0	-36.96	403.61	9.67	-27.29
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012057342	0	44	0.0	-29.32	380.96	10.96	-18.36
CC1=NN(C)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057343	0	44	0.0	-32.62	359.78	8.40	-24.22
CCOCC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1OC	REAL300012057344	0	55	0.0	-34.84	440.90	10.23	-24.61
CCN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=N1	REAL300012057345	0	44	0.0	-32.56	359.50	8.61	-23.95
CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N=N1	REAL300012057346	0	40	0.0	-31.36	332.75	6.42	-24.94
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057347	0	45	0.0	-39.63	370.49	6.68	-32.95
CN1C=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057348	0	41	0.0	-29.88	340.14	7.66	-22.22
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012057349	0	44	0.0	-30.57	372.50	9.37	-21.20
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1CCCCCCC1	REAL300012057350	0	53	0.0	-29.09	380.01	11.12	-17.97
CC1=CSC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057351	1	40	0.0	-29.99	343.89	7.75	-22.24
COC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1F	REAL300012057352	0	45	0.0	-31.08	372.19	9.35	-21.73
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012057353	0	48	0.0	-28.73	381.46	11.82	-16.91
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CSC=C1Br	REAL300012057354	0	38	0.0	-27.78	345.60	9.53	-18.25
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057355	0	54	0.0	-27.98	418.10	11.25	-16.73
CCN1N=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057356	0	44	0.0	-30.95	355.02	8.56	-22.39
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012057357	1	47	0.0	-30.90	384.47	9.66	-21.24
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012057358	0	46	0.0	-34.65	376.99	10.46	-24.19
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])SC=N1	REAL300012057359	0	40	0.0	-29.40	340.37	7.70	-21.70
COC1=CC(F)=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057360	0	45	0.0	-32.71	371.07	9.31	-23.40
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=N1	REAL300012057361	0	51	0.0	-34.41	408.94	9.98	-24.43
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=CS1	REAL300012057362	0	41	0.0	-27.66	342.63	9.62	-18.04
CS(=O)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057363	0	46	0.0	-40.28	389.52	8.62	-31.66
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012057364	0	51	0.0	-28.77	398.64	12.40	-16.37
N#CC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057365	0	41	0.0	-43.28	353.25	8.48	-34.80
COC(=O)C1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CN1	REAL300012057366	0	45	0.0	-38.96	378.93	8.39	-30.57
COCC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])O1	REAL300012057367	1	45	0.0	-30.45	373.59	7.97	-22.48
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=C1OC	REAL300012057368	0	52	0.0	-31.93	406.01	9.68	-22.25
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012057369	0	38	0.0	-31.58	358.32	9.95	-21.63
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057370	0	43	0.0	-33.30	350.33	8.60	-24.70
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057371	0	48	0.0	-29.01	386.87	10.04	-18.97
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CS1	REAL300012057372	0	41	0.0	-31.34	349.17	9.77	-21.57
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N=N1	REAL300012057373	0	42	0.0	-29.90	347.46	7.62	-22.28
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012057374	0	40	0.0	-34.83	362.06	8.38	-26.45
CN1N=NC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057375	0	40	0.0	-36.00	332.00	6.31	-29.69
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057376	0	47	0.0	-39.40	397.96	7.47	-31.93
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012057377	0	38	0.0	-29.63	344.37	9.57	-20.06
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012057378	0	54	0.0	-29.11	420.89	13.13	-15.98
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N(C)N=C1	REAL300012057379	0	44	0.0	-29.79	358.25	8.12	-21.67
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057380	0	44	0.0	-32.42	373.29	11.11	-21.31
COCC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057381	0	48	0.0	-33.61	392.37	9.75	-23.86
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012057383	0	48	0.0	-31.73	386.53	12.13	-19.60
C=CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=N1	REAL300012057385	0	42	0.0	-34.87	351.87	8.96	-25.91
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012057386	0	51	0.0	-30.03	403.49	10.43	-19.60
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057387	0	51	0.0	-29.89	411.15	11.65	-18.24
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012057388	0	44	0.0	-33.59	369.49	10.89	-22.70
COC1=CC(C)=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=N1	REAL300012057389	0	50	0.0	-28.51	393.07	7.54	-20.97
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057390	0	45	0.0	-27.69	379.56	9.72	-17.97
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057391	0	51	0.0	-29.59	398.11	10.51	-19.08
CC1=NC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012057392	0	51	0.0	-28.20	414.97	12.19	-16.01
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=NN1C	REAL300012057393	0	44	0.0	-34.18	354.75	8.20	-25.98
CCCN1N=C(C)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1C	REAL300012057394	0	53	0.0	-31.05	422.51	10.42	-20.63
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012057395	0	46	0.0	-32.64	377.94	9.57	-23.07
COCCN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=N1	REAL300012057396	0	48	0.0	-31.69	393.96	7.63	-24.06
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012057397	0	51	0.0	-29.26	403.10	12.53	-16.73
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012057398	0	51	0.0	-33.21	410.46	11.58	-21.63
CCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1F	REAL300012057399	0	48	0.0	-34.53	394.89	10.32	-24.21
COC1=CC=CC2=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])C=CC=C12	REAL300012057400	0	51	0.0	-30.04	401.22	11.28	-18.76
N#CC1=CSC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057401	0	39	0.0	-34.71	347.21	9.44	-25.27
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1C#N	REAL300012057402	0	46	0.0	-39.39	387.02	9.73	-29.66
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057403	0	51	0.0	-27.60	411.27	11.73	-15.87
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1C#N	REAL300012057405	0	45	0.0	-34.45	376.03	10.80	-23.65
CC1=CN=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057406	1	40	0.0	-29.01	341.85	7.88	-21.13
CC(C)CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=N1	REAL300012057407	0	50	0.0	-33.26	398.47	10.21	-23.05
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012057408	0	48	0.0	-28.00	376.45	11.84	-16.16
CCC1=CN=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057409	1	43	0.0	-29.72	365.49	8.73	-20.99
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=CC=C21	REAL300012057410	0	52	0.0	-37.93	411.85	10.87	-27.06
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057411	0	48	0.0	-29.91	395.25	10.22	-19.69
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057412	0	50	0.0	-30.87	397.83	9.72	-21.15
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012057413	0	50	0.0	-29.29	407.86	10.54	-18.75
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012057414	0	44	0.0	-30.21	375.18	9.58	-20.63
CC(C)C1=NC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057415	0	46	0.0	-29.28	384.91	9.22	-20.06
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012057416	0	44	0.0	-31.91	385.07	9.06	-22.85
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])C=C2)C=N1	REAL300012057417	0	51	0.0	-34.63	416.14	11.20	-23.43
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012057418	0	44	0.0	-33.56	374.60	8.91	-24.65
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N1	REAL300012057419	0	49	0.0	-35.74	392.94	8.08	-27.66
NC(=O)C1=CSC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057420	0	42	0.0	-38.41	363.61	5.81	-32.60
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057421	0	53	0.0	-30.13	419.85	10.17	-19.96
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012057422	0	47	0.0	-29.28	390.51	10.02	-19.26
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012057423	0	48	0.0	-31.42	399.69	8.14	-23.28
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N=N1	REAL300012057424	0	50	0.0	-30.56	409.99	10.63	-19.93
CN1N=C(Br)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057425	0	41	0.0	-32.09	358.33	8.04	-24.05
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])S2)C=N1	REAL300012057426	0	48	0.0	-32.63	411.30	10.63	-22.00
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012057427	0	53	0.0	-36.51	415.05	10.86	-25.65
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057428	0	48	0.0	-28.30	404.77	10.90	-17.40
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057429	0	47	0.0	-26.33	377.44	11.14	-15.19
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012057430	0	41	0.0	-27.02	368.86	10.89	-16.13
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012057431	0	41	0.0	-30.20	351.42	7.76	-22.44
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012057432	0	48	0.0	-31.60	394.04	10.77	-20.83
CC(C)C1=CN=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057433	1	46	0.0	-28.52	383.29	9.24	-19.28
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012057435	0	44	0.0	-29.12	371.84	9.37	-19.75
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057436	0	51	0.0	-35.20	413.99	10.42	-24.78
COCCCN1N=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057437	0	51	0.0	-30.83	410.19	8.39	-22.44
CC1=CC(F)=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(Cl)=C1	REAL300012057438	0	44	0.0	-27.59	376.71	11.01	-16.58
COCCOCC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057439	0	55	0.0	-35.68	447.86	9.98	-25.70
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012057441	0	41	0.0	-31.70	354.81	9.87	-21.83
CCN1N=C(C)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057442	0	46	0.0	-28.94	376.48	7.53	-21.41
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012057443	0	48	0.0	-30.73	385.20	12.08	-18.65
CC1=NN(C)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057444	0	44	0.0	-31.95	358.55	8.13	-23.82
N#CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1F	REAL300012057445	0	42	0.0	-38.41	362.74	10.42	-27.99
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012057446	0	44	0.0	-32.95	375.62	9.00	-23.95
CC1=CC(F)=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(F)=C1	REAL300012057447	0	44	0.0	-31.66	369.34	10.75	-20.91
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])O1	REAL300012057448	0	51	0.0	-28.12	408.97	10.08	-18.04
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057449	0	50	0.0	-29.36	393.58	10.06	-19.30
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CN1	REAL300012057450	0	48	0.0	-36.47	392.99	8.91	-27.56
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057451	0	51	0.0	-36.77	412.61	11.93	-24.84
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057452	0	50	0.0	-28.97	391.10	11.80	-17.17
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012057453	0	48	0.0	-29.12	381.87	9.28	-19.84
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012057454	0	47	0.0	-32.21	386.78	9.63	-22.58
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012057455	0	43	0.0	-30.91	358.56	8.70	-22.21
COC1=CC(OC)=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1F	REAL300012057456	0	49	0.0	-33.09	399.80	8.71	-24.38
COC1=CC(F)=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1OC	REAL300012057457	0	49	0.0	-28.86	399.20	9.15	-19.71
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(Cl)=C1	REAL300012057458	0	44	0.0	-28.72	367.84	10.95	-17.77
CCC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057459	0	47	0.0	-30.76	378.88	11.41	-19.35
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(F)=C1	REAL300012057460	0	45	0.0	-33.40	371.00	9.22	-24.18
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012057461	0	48	0.0	-28.48	381.48	11.78	-16.70
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057462	0	45	0.0	-28.72	370.80	9.34	-19.38
CCCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=C1	REAL300012057463	0	54	0.0	-28.60	419.89	11.44	-17.16
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012057464	0	43	0.0	-30.56	368.12	9.65	-20.91
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012057465	0	45	0.0	-31.80	363.74	8.56	-23.24
CCC1=C2OC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=CC2=CC=C1	REAL300012057466	0	50	0.0	-29.67	408.05	11.91	-17.76
C=CCCN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N=N1	REAL300012057467	0	47	0.0	-31.07	389.80	8.61	-22.46
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012057468	0	48	0.0	-31.51	390.57	10.02	-21.49
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012057469	0	49	0.0	-36.04	401.88	10.90	-25.14
CCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=C1	REAL300012057470	0	51	0.0	-30.91	403.48	10.86	-20.05
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012057471	0	45	0.0	-30.75	380.19	9.69	-21.06
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012057472	0	45	0.0	-30.65	379.44	9.65	-21.00
COC1=NC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057473	0	44	0.0	-32.11	361.72	6.68	-25.43
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012057474	0	54	0.0	-28.70	420.17	13.12	-15.58
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=N1	REAL300012057475	0	51	0.0	-31.31	417.75	8.90	-22.41
COCC1=CSC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057476	0	45	0.0	-29.96	382.79	8.79	-21.17
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012057477	0	47	0.0	-30.26	379.48	8.42	-21.84
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012057478	0	41	0.0	-32.25	365.77	10.09	-22.16
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012057479	0	41	0.0	-29.57	357.87	9.27	-20.30
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012057480	0	41	0.0	-25.67	358.45	10.06	-15.61
CN(C)C1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=CC(F)=C1F	REAL300012057481	0	49	0.0	-29.56	395.00	10.02	-19.54
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012057482	0	41	0.0	-31.02	359.57	10.40	-20.62
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012057483	0	53	0.0	-35.37	421.33	9.63	-25.74
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1F	REAL300012057484	0	49	0.0	-28.50	401.36	9.49	-19.01
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012057485	0	41	0.0	-30.54	354.40	10.12	-20.42
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1OC1CC1	REAL300012057486	0	53	0.0	-33.81	427.05	10.82	-22.99
CCCN1N=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057487	0	47	0.0	-30.59	376.52	9.32	-21.27
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057488	0	44	0.0	-33.89	379.30	8.58	-25.31
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057489	0	55	0.0	-32.18	438.92	10.15	-22.03
CCCC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057490	0	47	0.0	-32.05	392.40	11.48	-20.57
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012057491	0	48	0.0	-31.55	404.71	12.56	-18.99
CC(C)C1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057492	0	50	0.0	-28.80	396.17	11.83	-16.97
CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(Cl)=N1	REAL300012057493	0	41	0.0	-35.54	354.64	8.17	-27.37
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012057494	0	57	0.0	-29.78	436.69	11.88	-17.90
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012057495	0	54	0.0	-28.96	428.39	13.45	-15.51
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1Cl	REAL300012057497	0	45	0.0	-33.61	381.52	9.83	-23.78
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012057498	0	51	0.0	-30.89	406.99	10.52	-20.37
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012057499	0	47	0.0	-31.09	395.26	9.81	-21.28
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012057500	0	47	0.0	-32.52	385.18	11.54	-20.98
CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(Br)=N1	REAL300012057501	0	41	0.0	-34.50	358.68	8.23	-26.27
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(F)=C1	REAL300012057502	0	44	0.0	-31.60	362.92	10.62	-20.98
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057503	0	48	0.0	-35.16	391.77	8.81	-26.35
CN1N=CC2=CC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=CN=C21	REAL300012057504	0	46	0.0	-37.31	381.62	9.15	-28.16
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012057505	0	47	0.0	-32.21	398.32	11.73	-20.48
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057506	0	51	0.0	-29.62	401.46	9.94	-19.68
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C(C)N1	REAL300012057507	0	54	0.0	-31.63	436.32	10.38	-21.25
CC1=C(C)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CS1	REAL300012057508	0	44	0.0	-27.45	359.66	10.15	-17.30
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012057509	0	40	0.0	-34.04	353.54	8.60	-25.44
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(Br)SC=C1	REAL300012057510	0	38	0.0	-24.77	343.89	9.57	-15.20
CCOC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C(F)C=C1OC	REAL300012057511	0	52	0.0	-34.72	421.10	10.15	-24.57
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012057512	0	47	0.0	-30.49	380.40	12.04	-18.45
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CN=C1Br	REAL300012057513	0	40	0.0	-26.75	346.50	8.60	-18.15
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057514	0	51	0.0	-30.52	411.52	10.99	-19.53
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057515	0	48	0.0	-33.33	395.08	10.31	-23.02
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012057516	0	45	0.0	-33.33	380.76	9.50	-23.83
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057517	0	54	0.0	-31.97	417.68	11.08	-20.89
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057518	0	44	0.0	-29.74	362.80	10.90	-18.84
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C(F)C=C1C	REAL300012057519	0	48	0.0	-26.80	390.06	9.99	-16.81
CC(C)(C)C1=CSC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057520	1	49	0.0	-28.61	400.73	9.66	-18.95
COCCC1=NC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057521	0	47	0.0	-33.54	399.17	7.80	-25.74
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012057522	1	42	0.0	-31.54	359.54	7.31	-24.23
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057523	0	49	0.0	-29.60	399.58	9.54	-20.06
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012057524	0	49	0.0	-28.67	383.39	9.93	-18.74
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1C	REAL300012057525	0	57	0.0	-30.06	435.71	11.12	-18.94
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012057526	0	43	0.0	-39.22	363.78	10.45	-28.77
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012057527	0	46	0.0	-31.00	367.95	10.05	-20.95
CCCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1C	REAL300012057528	0	54	0.0	-30.68	430.27	11.71	-18.97
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012057529	0	45	0.0	-35.33	372.03	8.40	-26.93
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057530	0	48	0.0	-31.13	392.63	10.33	-20.80
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012057531	0	46	0.0	-33.32	372.78	11.05	-22.27
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057532	0	49	0.0	-31.51	396.34	11.59	-19.92
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(F)=C1OC	REAL300012057533	0	49	0.0	-37.07	403.99	9.24	-27.83
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(F)=C1	REAL300012057534	0	47	0.0	-33.33	397.65	10.70	-22.63
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012057535	0	51	0.0	-33.53	423.95	10.40	-23.13
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012057536	0	48	0.0	-32.48	398.96	10.59	-21.89
CC1=COC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057537	1	41	0.0	-28.74	338.60	8.72	-20.02
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012057538	0	40	0.0	-27.33	347.67	8.57	-18.76
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057539	0	48	0.0	-30.76	385.99	11.22	-19.54
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012057541	0	44	0.0	-34.59	368.21	8.76	-25.83
CCCC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057543	0	50	0.0	-31.53	401.70	12.24	-19.29
CC1=C2C=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])C=NC2=NN1	REAL300012057544	0	46	0.0	-43.82	380.37	8.53	-35.29
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057546	0	49	0.0	-38.04	410.86	6.66	-31.38
CN1N=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012057547	0	47	0.0	-32.72	387.26	9.86	-22.86
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012057548	0	44	0.0	-33.13	364.16	8.56	-24.57
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012057548	1	44	0.0	-28.82	364.36	8.58	-20.24
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057549	0	41	0.0	-27.69	368.84	9.17	-18.52
CCC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057550	0	44	0.0	-27.25	369.60	10.59	-16.66
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012057551	0	46	0.0	-31.39	373.72	10.19	-21.20
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012057552	0	47	0.0	-31.36	383.74	10.91	-20.45
CCC1=NC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057553	0	43	0.0	-32.13	364.18	8.69	-23.44
COC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])SC=C1	REAL300012057554	0	42	0.0	-30.24	357.44	8.42	-21.82
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012057555	0	47	0.0	-33.57	393.45	8.19	-25.38
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CSC=C1Cl	REAL300012057556	0	38	0.0	-28.33	341.97	9.42	-18.91
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057557	0	46	0.0	-34.59	390.29	9.09	-25.50
CCCC(C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012057558	0	53	0.0	-30.55	414.23	12.54	-18.01
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012057559	0	46	0.0	-31.97	391.06	10.95	-21.02
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1CC2CCC1C2	REAL300012057560	0	48	0.0	-34.18	362.59	10.66	-23.52
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(F)N=C1	REAL300012057561	0	40	0.0	-33.68	338.53	8.11	-25.57
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012057562	0	41	0.0	-29.62	366.82	10.22	-19.40
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1(C(F)F)CC1	REAL300012057563	0	41	0.0	-32.42	335.66	9.53	-22.89
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])NN=C1	REAL300012057564	0	41	0.0	-30.15	334.12	6.92	-23.23
CC1=CNN=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057564	1	41	0.0	-28.92	338.07	6.98	-21.94
CC(C)C1CCC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])CC1	REAL300012057566	0	56	0.0	-34.44	405.40	11.78	-22.66
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057567	0	55	0.0	-35.17	435.83	11.62	-23.55
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057568	0	51	0.0	-26.49	409.69	10.78	-15.71
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012057569	0	50	0.0	-41.99	400.21	11.41	-30.58
CCC1=NOC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057570	0	43	0.0	-31.91	352.52	8.71	-23.20
CN1N=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1Cl	REAL300012057571	0	41	0.0	-30.82	355.93	8.15	-22.67
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012057572	0	43	0.0	-32.95	359.99	7.42	-25.53
CC1=CN=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057573	0	43	0.0	-32.53	348.21	8.79	-23.74
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012057574	0	43	0.0	-30.99	375.36	7.89	-23.10
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012057575	0	48	0.0	-35.81	386.53	12.13	-23.68
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NC=C1Br	REAL300012057576	0	40	0.0	-32.01	345.75	8.79	-23.22
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057577	0	44	0.0	-36.73	390.35	6.64	-30.09
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012057578	0	47	0.0	-28.63	389.45	10.64	-17.99
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057581	0	44	0.0	-26.95	374.97	8.54	-18.41
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057582	0	48	0.0	-28.57	388.01	9.59	-18.98
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057583	0	51	0.0	-27.98	402.14	10.02	-17.96
CC1=NC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N1C	REAL300012057584	0	44	0.0	-32.43	357.85	8.99	-23.44
CC1=C2C=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])NC2=CC=C1	REAL300012057585	0	48	0.0	-33.40	390.15	10.61	-22.79
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012057586	0	47	0.0	-29.48	387.20	9.04	-20.44
CC1=CC=C2C=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])NC2=C1	REAL300012057587	0	48	0.0	-33.29	390.56	10.62	-22.67
CC1=NC=CN=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057588	0	42	0.0	-32.89	344.24	6.76	-26.13
CCOC1=CN=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057589	0	47	0.0	-33.67	383.60	8.43	-25.24
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012057590	0	40	0.0	-32.86	343.84	8.72	-24.14
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012057591	0	52	0.0	-32.78	412.48	8.64	-24.14
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012057592	0	44	0.0	-35.20	363.43	8.72	-26.48
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057593	0	49	0.0	-32.91	375.45	10.29	-22.62
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NC(F)=C1	REAL300012057594	0	40	0.0	-38.05	338.61	8.19	-29.86
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012057595	0	45	0.0	-33.95	368.67	10.04	-23.91
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012057596	1	44	0.0	-39.69	368.56	7.39	-32.30
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012057597	0	43	0.0	-33.17	366.69	9.03	-24.14
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057598	0	50	0.0	-31.60	407.78	10.35	-21.25
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012057599	0	51	0.0	-42.84	409.61	7.38	-35.46
COC1=CN=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1C	REAL300012057600	0	47	0.0	-29.94	370.84	7.96	-21.98
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=C1	REAL300012057601	0	54	0.0	-31.20	426.04	13.03	-18.17
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012057602	0	51	0.0	-32.40	410.95	7.50	-24.90
CCCN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N=N1	REAL300012057603	0	46	0.0	-30.64	375.67	8.02	-22.62
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057604	0	49	0.0	-28.91	393.11	10.03	-18.88
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012057605	0	45	0.0	-28.14	367.32	10.56	-17.58
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012057606	0	46	0.0	-38.34	383.36	10.35	-27.99
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1C	REAL300012057607	0	54	0.0	-33.32	422.07	12.96	-20.36
CC1=NSC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057608	0	40	0.0	-34.93	342.54	8.40	-26.53
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057609	0	46	0.0	-39.54	390.22	4.93	-34.61
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012057611	1	44	0.0	-29.95	364.67	7.21	-22.74
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012057613	0	50	0.0	-25.54	387.27	10.36	-15.18
CC1=NN(C)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1Cl	REAL300012057614	0	44	0.0	-27.42	376.35	8.60	-18.82
CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012057616	0	54	0.0	-32.21	424.76	10.83	-21.38
CC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1Br	REAL300012057617	0	44	0.0	-27.99	366.67	10.91	-17.08
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012057618	0	49	0.0	-30.77	389.65	10.54	-20.23
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057619	0	51	0.0	-40.03	409.84	9.77	-30.26
CCC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(Cl)=NN1	REAL300012057620	0	44	0.0	-27.84	369.26	8.18	-19.66
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012057621	0	45	0.0	-28.35	382.35	8.93	-19.42
CCC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=NO1	REAL300012057622	0	46	0.0	-29.61	370.70	9.48	-20.13
CCN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N=N1	REAL300012057623	0	43	0.0	-31.63	355.49	7.29	-24.34
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012057624	0	53	0.0	-29.64	409.27	11.15	-18.49
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012057625	0	56	0.0	-27.52	429.01	11.93	-15.59
CCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])O1	REAL300012057626	1	45	0.0	-29.28	372.88	9.46	-19.82
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012057627	0	40	0.0	-29.36	362.92	8.06	-21.30
CCN1C=NC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057628	0	44	0.0	-28.61	359.87	10.07	-18.54
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CN=C1F	REAL300012057629	0	43	0.0	-35.17	358.90	8.74	-26.43
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057630	0	43	0.0	-31.32	350.73	8.65	-22.67
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012057631	0	44	0.0	-36.00	375.42	10.95	-25.05
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1C	REAL300012057632	0	50	0.0	-35.52	408.15	11.22	-24.30
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=C1	REAL300012057633	0	48	0.0	-28.94	376.53	9.71	-19.23
CC1=C(Cl)C=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1Cl	REAL300012057634	0	44	0.0	-27.56	381.43	11.44	-16.12
CC1CC2=CC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=CC=C2O1	REAL300012057635	0	49	0.0	-34.13	394.35	10.63	-23.50
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012057636	0	44	0.0	-35.70	369.06	7.52	-28.18
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012057637	0	46	0.0	-29.54	371.74	9.81	-19.73
CSCC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057638	0	48	0.0	-33.58	403.43	11.91	-21.67
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012057639	0	51	0.0	-32.94	409.55	10.77	-22.17
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057640	0	49	0.0	-30.44	390.32	7.48	-22.96
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057641	0	48	0.0	-30.28	383.99	9.43	-20.85
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012057642	0	48	0.0	-29.77	384.72	9.70	-20.07
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012057643	0	48	0.0	-34.67	384.15	9.76	-24.91
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057644	0	51	0.0	-34.71	421.77	10.97	-23.74
COC1=CC=C(C)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057645	0	48	0.0	-32.60	381.63	9.92	-22.68
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=C21	REAL300012057646	0	47	0.0	-30.94	373.56	11.18	-19.76
CCC1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057647	0	47	0.0	-29.07	369.47	11.25	-17.82
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057648	0	51	0.0	-39.29	405.32	9.60	-29.69
CC1=CC(F)=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057649	0	44	0.0	-33.40	362.97	10.68	-22.72
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=C1C	REAL300012057650	0	50	0.0	-27.03	381.85	11.51	-15.52
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057651	0	51	0.0	-38.35	415.30	9.07	-29.28
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057652	0	53	0.0	-25.18	384.67	12.23	-12.95
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012057653	0	51	0.0	-32.09	393.28	10.34	-21.75
COC1=CC=C2SC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=CC2=C1	REAL300012057654	0	48	0.0	-30.65	404.20	10.77	-19.88
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012057655	0	44	0.0	-32.77	364.03	9.52	-23.25
CCN1CCC2=CC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=CC=C21	REAL300012057656	0	53	0.0	-32.08	409.75	10.16	-21.92
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057657	0	54	0.0	-38.27	428.88	10.76	-27.51
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=NN1C(C)C	REAL300012057658	0	50	0.0	-34.45	399.32	9.85	-24.60
CSC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1Cl	REAL300012057659	0	45	0.0	-33.15	392.54	11.49	-21.66
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012057660	0	51	0.0	-29.25	404.37	12.56	-16.69
CCOC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=N1	REAL300012057661	0	47	0.0	-35.93	386.25	7.66	-28.27
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1C1CC1	REAL300012057662	0	51	0.0	-28.92	402.98	12.53	-16.39
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])O2)N1	REAL300012057663	0	48	0.0	-32.76	404.54	8.70	-24.06
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])O1	REAL300012057664	1	42	0.0	-28.98	349.71	8.48	-20.50
COCCOC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])O1	REAL300012057665	1	49	0.0	-30.70	405.19	8.66	-22.04
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057666	0	53	0.0	-30.26	419.44	10.29	-19.97
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012057667	0	44	0.0	-30.21	368.27	8.66	-21.55
CCN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=N1	REAL300012057668	0	47	0.0	-31.28	379.15	9.19	-22.09
CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012057669	0	48	0.0	-32.68	391.94	9.93	-22.75
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057670	0	48	0.0	-31.88	388.31	9.63	-22.25
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057671	0	51	0.0	-36.10	408.68	12.94	-23.16
CC(C)C1=NOC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057672	0	46	0.0	-32.57	375.53	9.30	-23.27
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012057673	0	45	0.0	-28.51	384.07	8.53	-19.98
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012057674	1	51	0.0	-35.80	409.59	6.47	-29.33
COC1=NC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1F	REAL300012057675	0	44	0.0	-30.83	367.83	6.70	-24.13
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012057676	0	41	0.0	-34.30	354.65	9.91	-24.39
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012057677	0	53	0.0	-27.75	419.86	11.50	-16.25
CC1=C(C)SC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057678	1	43	0.0	-31.68	362.74	8.39	-23.29
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012057679	0	50	0.0	-31.96	414.10	10.26	-21.70
CC1OC2=CC=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])C=C2C1C	REAL300012057680	0	52	0.0	-33.66	410.72	11.12	-22.54
CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1OC(F)F	REAL300012057681	0	48	0.0	-35.35	395.32	10.30	-25.05
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CSN=C1	REAL300012057682	0	37	0.0	-32.27	320.52	7.54	-24.73
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057683	0	53	0.0	-29.30	409.76	12.54	-16.76
CN1N=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012057684	0	47	0.0	-39.88	382.86	5.85	-34.03
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012057685	0	44	0.0	-33.60	372.88	7.80	-25.80
CC(C)CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N=N1	REAL300012057686	0	49	0.0	-30.56	395.46	8.77	-21.79
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012057687	1	44	0.0	-32.19	373.10	9.17	-23.02
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012057688	0	41	0.0	-34.67	358.33	7.29	-27.38
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012057689	0	46	0.0	-32.63	373.16	9.86	-22.77
CN1C=C(Cl)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057690	0	41	0.0	-32.20	354.59	8.15	-24.05
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=CS1	REAL300012057691	0	44	0.0	-43.53	381.20	6.76	-36.77
CSC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057692	0	45	0.0	-32.07	377.48	10.97	-21.10
CC(C)C1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])N(C)N=C1	REAL300012057693	0	50	0.0	-30.75	395.48	9.38	-21.37
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC(C)=N1	REAL300012057694	0	46	0.0	-33.78	375.41	9.47	-24.31
CCCN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=N1	REAL300012057695	0	50	0.0	-31.88	402.81	10.02	-21.86
CCN1C=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057696	0	44	0.0	-29.66	361.68	8.52	-21.14
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012057697	0	43	0.0	-33.43	359.90	8.68	-24.75
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012057699	0	48	0.0	-27.86	402.47	12.20	-15.66
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012057700	0	49	0.0	-34.03	397.85	10.99	-23.04
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057701	0	48	0.0	-40.49	393.74	8.22	-32.27
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012057702	0	55	0.0	-28.88	432.23	13.98	-14.90
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057704	0	51	0.0	-39.40	413.91	9.03	-30.37
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012057705	0	47	0.0	-28.60	389.31	11.09	-17.51
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012057706	0	48	0.0	-31.99	384.39	8.86	-23.13
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057707	0	51	0.0	-33.71	417.39	11.15	-22.56
CCCN1C=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057708	0	47	0.0	-29.28	383.17	9.28	-20.00
CC(C)N1C=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057709	0	47	0.0	-28.33	379.03	9.00	-19.33
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057710	0	52	0.0	-32.13	408.71	10.52	-21.61
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012057711	0	44	0.0	-33.19	379.55	9.02	-24.17
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012057712	0	51	0.0	-27.54	407.92	11.98	-15.56
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057714	0	44	0.0	-33.84	379.90	7.15	-26.69
CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012057715	0	44	0.0	-30.32	371.93	8.72	-21.60
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012057716	0	44	0.0	-30.67	373.13	10.88	-19.79
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012057717	0	49	0.0	-31.69	384.02	10.01	-21.68
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057718	0	48	0.0	-29.10	402.67	10.71	-18.39
COC1=NN(C)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057719	0	45	0.0	-31.63	373.02	5.76	-25.87
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012057721	0	48	0.0	-31.21	396.82	9.74	-21.47
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012057722	1	48	0.0	-28.14	380.23	10.73	-17.41
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012057723	0	43	0.0	-36.25	369.77	10.68	-25.57
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012057724	0	54	0.0	-32.47	421.93	11.01	-21.46
CN(CCO)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=N1	REAL300012057726	0	52	0.0	-33.13	414.73	7.51	-25.62
COC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012057727	0	57	0.0	-26.94	429.65	11.66	-15.28
CN1C=C(Br)N=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057728	0	41	0.0	-37.46	357.37	8.81	-28.65
COC1=CC(C)=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=N1	REAL300012057729	0	47	0.0	-30.17	376.49	7.17	-23.00
COC1=CC(C)=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1O	REAL300012057730	0	49	0.0	-30.97	388.92	7.59	-23.38
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012057731	0	47	0.0	-31.02	394.10	9.05	-21.97
CN1C(=O)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012057732	0	50	0.0	-30.21	403.83	10.72	-19.49
COC1=NC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1C	REAL300012057733	0	47	0.0	-28.27	384.62	7.33	-20.94
CCCN1C=NC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057734	0	47	0.0	-29.80	371.53	10.60	-19.20
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CNC1=O	REAL300012057735	0	41	0.0	-45.01	340.93	6.93	-38.08
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012057736	0	48	0.0	-38.10	392.26	9.89	-28.21
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012057737	0	54	0.0	-28.68	427.09	13.42	-15.26
CCC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=NN1CC	REAL300012057738	0	50	0.0	-28.88	396.63	9.88	-19.00
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012057739	0	41	0.0	-32.88	362.79	10.52	-22.36
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012057740	0	45	0.0	-33.23	367.59	8.43	-24.80
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012057741	0	45	0.0	-35.85	381.02	9.58	-26.27
COC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=CS1	REAL300012057742	0	42	0.0	-30.03	358.81	8.37	-21.66
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012057743	0	44	0.0	-34.51	375.03	9.75	-24.76
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057744	0	47	0.0	-31.83	389.16	11.43	-20.40
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012057745	0	47	0.0	-33.08	398.08	10.72	-22.36
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=N1	REAL300012057746	0	48	0.0	-31.81	396.38	7.68	-24.13
CCCN1N=C(C)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1Cl	REAL300012057747	0	50	0.0	-29.31	418.77	10.30	-19.01
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])S1	REAL300012057748	0	47	0.0	-30.66	402.62	9.24	-21.42
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012057749	0	41	0.0	-35.14	353.24	10.15	-24.99
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012057750	0	48	0.0	-33.02	402.88	12.45	-20.57
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057751	0	50	0.0	-32.72	397.96	8.81	-23.91
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012057752	0	47	0.0	-30.38	391.56	12.51	-17.87
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057753	0	48	0.0	-27.39	379.62	11.64	-15.75
CCN1CCCC2=CC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=CC=C21	REAL300012057754	0	56	0.0	-29.00	425.17	11.05	-17.95
COCC1=CN=C(OC)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057755	0	51	0.0	-27.84	417.16	6.49	-21.35
CN1N=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1Br	REAL300012057756	0	41	0.0	-30.30	360.04	8.23	-22.07
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012057757	0	45	0.0	-34.22	368.35	11.31	-22.91
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012057758	0	44	0.0	-34.09	363.75	7.97	-26.12
COCC1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057759	0	48	0.0	-29.69	383.75	9.86	-19.83
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012057760	0	49	0.0	-33.17	391.02	10.11	-23.06
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012057761	0	45	0.0	-32.90	373.03	5.26	-27.64
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012057762	0	47	0.0	-28.20	398.04	12.04	-16.16
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012057763	0	47	0.0	-36.45	389.77	8.11	-28.34
COC1=CC=C(F)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1OC	REAL300012057764	0	49	0.0	-30.89	401.34	9.29	-21.60
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012057765	0	44	0.0	-35.33	363.40	9.47	-25.86
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057766	0	48	0.0	-27.63	388.62	7.78	-19.85
C=CC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057767	0	45	0.0	-29.81	368.44	11.03	-18.78
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012057768	0	55	0.0	-31.41	436.90	12.37	-19.04
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057769	0	47	0.0	-37.81	376.57	11.49	-26.32
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC=C1OCCO	REAL300012057770	0	53	0.0	-37.64	429.29	7.06	-30.58
CCN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012057771	0	51	0.0	-32.44	413.47	10.79	-21.65
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1OCCO	REAL300012057772	0	53	0.0	-36.17	427.96	7.01	-29.16
CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012057773	0	51	0.0	-36.38	421.10	8.87	-27.51
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057774	0	49	0.0	-34.84	384.92	9.70	-25.14
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012057775	0	46	0.0	-35.74	378.31	10.49	-25.25
CC1=CC2=CC=CC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=C2O1	REAL300012057776	0	47	0.0	-28.78	384.38	11.09	-17.69
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012057777	0	44	0.0	-36.82	370.34	11.02	-25.80
COC1=CSC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1OC	REAL300012057778	0	46	0.0	-30.09	388.71	7.95	-22.14
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012057779	0	47	0.0	-32.83	381.97	10.03	-22.80
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])SC=C1	REAL300012057780	0	44	0.0	-31.76	378.03	6.53	-25.23
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057781	1	44	0.0	-39.84	379.81	5.49	-34.35
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012057782	0	44	0.0	-34.47	381.57	10.98	-23.49
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1F	REAL300012057783	0	51	0.0	-33.86	411.51	10.90	-22.96
CCN1C=C(Cl)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057784	0	44	0.0	-29.63	378.24	9.01	-20.62
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012057785	0	41	0.0	-28.83	362.54	10.51	-18.32
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012057786	0	44	0.0	-31.69	368.13	10.77	-20.92
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012057787	0	47	0.0	-32.86	386.47	12.17	-20.69
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057788	0	44	0.0	-37.25	389.50	6.56	-30.69
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012057789	0	38	0.0	-31.18	343.01	9.54	-21.64
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012057790	0	51	0.0	-29.26	402.75	10.37	-18.89
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057791	0	54	0.0	-30.15	425.36	11.03	-19.12
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012057792	0	44	0.0	-34.13	368.21	8.83	-25.30
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057793	0	51	0.0	-31.25	415.36	10.61	-20.64
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012057794	0	40	0.0	-31.15	348.97	8.54	-22.61
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012057795	0	48	0.0	-32.78	401.26	11.18	-21.60
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057796	0	48	0.0	-30.38	389.82	8.07	-22.31
COC1=NC(C)=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=C1Cl	REAL300012057797	0	50	0.0	-30.92	411.58	8.23	-22.69
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057798	0	50	0.0	-34.43	410.86	10.24	-24.19
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012057799	0	48	0.0	-28.23	384.17	9.60	-18.63
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012057800	0	44	0.0	-32.24	373.52	8.84	-23.40
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012057801	0	45	0.0	-32.12	381.86	9.36	-22.76
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057802	0	57	0.0	-30.51	440.31	11.61	-18.90
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012057803	0	52	0.0	-34.18	410.58	8.59	-25.59
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057804	0	55	0.0	-31.72	430.22	9.17	-22.55
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012057806	0	51	0.0	-27.79	401.74	10.27	-17.52
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057807	0	43	0.0	-37.50	383.02	3.96	-33.54
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012057808	0	40	0.0	-26.60	363.12	9.04	-17.56
CC1=NSC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057809	0	40	0.0	-30.36	333.77	8.04	-22.32
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057810	0	54	0.0	-30.79	421.33	11.01	-19.78
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012057811	0	44	0.0	-37.32	359.70	10.95	-26.37
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012057812	0	44	0.0	-36.79	363.56	8.73	-28.06
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012057813	0	41	0.0	-28.99	362.98	10.52	-18.47
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057814	0	44	0.0	-30.09	352.38	10.44	-19.65
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])=C2)C=N1	REAL300012057815	0	51	0.0	-35.34	417.39	11.24	-24.10
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057816	0	44	0.0	-32.02	373.44	11.25	-20.77
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057817	0	46	0.0	-33.25	387.07	9.81	-23.44
COC1=NC2=CC=C(C[NH2+]C(CC3=CC4=CC=CC=C4N=C3)C(=O)[O-])C=C2S1	REAL300012057818	0	47	0.0	-32.72	400.35	7.73	-24.99
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012057819	0	40	0.0	-36.21	352.33	8.71	-27.50
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012057820	0	41	0.0	-31.27	367.15	10.92	-20.35
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057821	0	43	0.0	-32.23	360.80	9.08	-23.15
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057822	0	57	0.0	-30.86	447.74	12.25	-18.61
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057823	0	45	0.0	-33.13	383.55	9.83	-23.30
COC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CC(F)=C1F	REAL300012057824	0	45	0.0	-36.65	379.33	9.45	-27.20
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057825	0	47	0.0	-30.80	381.19	8.12	-22.68
CC(C)N1C=NC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057826	0	47	0.0	-27.86	379.49	10.46	-17.40
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057827	0	48	0.0	-36.70	398.17	7.57	-29.13
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012057828	0	47	0.0	-29.01	386.53	10.35	-18.66
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1C	REAL300012057829	0	51	0.0	-35.63	417.65	9.62	-26.01
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])O1	REAL300012057830	1	48	0.0	-29.04	393.18	10.18	-18.86
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012057831	0	44	0.0	-29.95	374.41	8.98	-20.97
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057832	0	42	0.0	-37.08	362.42	10.40	-26.68
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012057833	0	57	0.0	-29.07	439.19	13.75	-15.32
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057834	0	49	0.0	-34.11	394.57	10.59	-23.52
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057835	0	51	0.0	-31.79	405.10	10.32	-21.47
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012057836	0	47	0.0	-37.74	389.70	9.35	-28.39
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012057837	0	49	0.0	-34.60	406.46	10.29	-24.31
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057838	0	50	0.0	-25.79	417.38	10.14	-15.65
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057839	0	48	0.0	-35.12	399.25	9.16	-25.96
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012057840	0	54	0.0	-30.46	438.81	14.36	-16.10
COC1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=N1	REAL300012057841	0	47	0.0	-30.54	374.40	7.07	-23.47
CCN(C)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C)=C1	REAL300012057842	0	55	0.0	-27.35	420.34	11.76	-15.59
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012057843	0	38	0.0	-30.45	358.74	9.99	-20.46
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=NS1	REAL300012057844	0	40	0.0	-29.52	336.73	8.27	-21.25
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057845	0	52	0.0	-30.63	415.02	9.40	-21.23
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=NO1	REAL300012057846	0	40	0.0	-30.03	331.22	8.16	-21.87
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012057847	0	44	0.0	-34.09	365.29	10.84	-23.25
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012057848	0	44	0.0	-33.11	374.23	11.38	-21.73
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012057849	0	50	0.0	-33.54	406.73	11.62	-21.92
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC=C1CO	REAL300012057850	0	45	0.0	-30.64	360.17	7.41	-23.23
CC1=NSC(C)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057851	0	43	0.0	-31.86	359.87	8.86	-23.00
CC(C)(C)C1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=NO1	REAL300012057852	0	49	0.0	-27.67	380.52	9.89	-17.78
CC1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1C(F)(F)F	REAL300012057853	0	47	0.0	-33.43	382.16	11.56	-21.87
C=CCN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=N1	REAL300012057854	0	45	0.0	-33.33	374.45	9.25	-24.08
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012057855	0	44	0.0	-36.40	362.27	8.61	-27.79
CCC(C)C1=CC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=C1	REAL300012057856	0	53	0.0	-29.12	416.01	12.55	-16.57
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012057857	0	48	0.0	-27.62	396.88	8.56	-19.06
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=N1	REAL300012057858	0	46	0.0	-28.62	385.10	9.84	-18.78
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012057859	0	51	0.0	-26.96	388.54	12.20	-14.76
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057860	0	48	0.0	-35.63	397.80	11.92	-23.71
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012057861	0	44	0.0	-31.64	380.79	11.03	-20.61
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012057862	0	47	0.0	-40.01	388.37	9.81	-30.20
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012057863	0	50	0.0	-28.86	390.75	12.59	-16.27
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057864	0	59	0.0	-30.44	462.50	11.66	-18.78
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057865	0	49	0.0	-31.46	398.14	9.38	-22.08
O=C([O-])C(CC1=CC2=CC=CC=C2N=C1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012057867	0	54	0.0	-30.89	423.60	6.91	-23.98
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057868	0	53	0.0	-30.22	424.15	8.61	-21.61
CCCN1N=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1C	REAL300012057869	0	50	0.0	-34.71	401.98	9.88	-24.83
CC1=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012057870	0	49	0.0	-33.19	391.73	11.06	-22.13
CC1=CC(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012057871	0	50	0.0	-34.61	407.52	11.24	-23.37
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])=C1	REAL300012057872	0	48	0.0	-38.31	397.86	10.03	-28.28
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300012057873	0	50	0.0	-28.38	395.33	9.65	-18.73
CN1C=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012057874	0	51	0.0	-31.54	405.37	10.27	-21.27
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC3=CC=CC=C3N=C2)C(=O)[O-])O1	REAL300012057875	1	49	0.0	-29.49	395.14	7.40	-22.09
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=CN=C3C=C2)C(=O)[O-])=C1	REAL300012057876	0	43	0.0	-31.77	353.61	8.80	-22.97
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012057877	0	50	0.0	-29.88	388.66	10.84	-19.04
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C2=CC=CC=C2)C(=O)[O-])=C1	REAL300012057878	0	45	0.0	-31.85	367.65	8.34	-23.51
CC1=CN=CC(CC([NH2+]CC2=CC=C(Br)O2)C(=O)[O-])=C1	REAL300012057879	0	35	0.0	-27.07	314.89	7.31	-19.76
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012057880	0	48	0.0	-31.94	390.94	10.30	-21.64
CC1=CN=CC(CC([NH2+]CC2=CN(CCC#N)N=C2C2=CC=CC=C2)C(=O)[O-])=C1	REAL300012057881	0	52	0.0	-34.73	429.94	10.80	-23.93
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012057882	0	46	0.0	-34.06	380.97	8.00	-26.06
CCOC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1OC	REAL300012057883	0	49	0.0	-33.06	393.06	8.63	-24.43
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012057884	0	52	0.0	-29.98	421.01	11.75	-18.23
CCCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012057885	0	54	0.0	-30.04	426.15	11.03	-19.01
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)C(=O)[O-])=C1	REAL300012057886	0	47	0.0	-33.39	399.56	10.98	-22.41
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)C(=O)[O-])=C1	REAL300012057887	0	47	0.0	-38.41	398.73	11.00	-27.41
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1Br	REAL300012057888	0	42	0.0	-31.46	362.37	8.48	-22.98
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OC(C)C)C(=O)[O-])=C1	REAL300012057889	0	48	0.0	-28.63	380.32	9.36	-19.27
CCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OC	REAL300012057890	0	55	0.0	-32.88	436.05	10.22	-22.66
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OC	REAL300012057891	0	52	0.0	-31.95	412.40	9.36	-22.59
C=CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OC	REAL300012057892	0	50	0.0	-33.60	403.81	9.14	-24.46
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)C(=O)[O-])=C1	REAL300012057893	0	45	0.0	-33.38	387.28	10.84	-22.54
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)C(=O)[O-])=C1	REAL300012057894	0	45	0.0	-35.92	389.59	10.97	-24.95
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)C(=O)[O-])=C1	REAL300012057895	0	45	0.0	-28.18	397.05	11.74	-16.44
CC1=CN=CC(CC([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)C(=O)[O-])=C1	REAL300012057896	0	48	0.0	-31.31	394.54	10.11	-21.20
CCC1=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012057897	0	47	0.0	-27.32	377.57	10.48	-16.84
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)C(=O)[O-])=C1	REAL300012057898	0	47	0.0	-44.07	396.79	11.69	-32.38
CC1=CN=CC(CC([NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)C(=O)[O-])=C1	REAL300012057899	0	44	0.0	-34.49	383.71	9.37	-25.12
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OC(F)(F)F)C(=O)[O-])=C1	REAL300012057900	0	42	0.0	-30.37	355.74	8.27	-22.10
CC1=CN=CC(CC([NH2+]CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012057901	0	42	0.0	-28.61	367.56	9.86	-18.75
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012057902	0	45	0.0	-26.81	371.50	6.15	-20.66
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(Cl)=C1	REAL300012057903	0	42	0.0	-29.99	353.74	8.15	-21.84
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012057904	0	42	0.0	-29.56	358.48	8.24	-21.32
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S2)C(=O)[O-])=C1	REAL300012057905	0	47	0.0	-32.53	407.18	11.85	-20.68
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)C(=O)[O-])=C1	REAL300012057906	0	47	0.0	-32.81	407.76	11.90	-20.91
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012057907	0	45	0.0	-31.01	371.05	8.21	-22.80
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012057908	0	48	0.0	-27.43	390.37	8.98	-18.45
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C2=CC=CS2)C(=O)[O-])=C1	REAL300012057909	0	42	0.0	-30.23	347.51	7.29	-22.94
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012057910	0	49	0.0	-33.06	397.36	7.56	-25.50
CC1=CN=CC(CC([NH2+]CC2=CSC3=CC=CC=C23)C(=O)[O-])=C1	REAL300012057911	0	41	0.0	-29.06	349.36	9.89	-19.17
CCOC1=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012057912	0	57	0.0	-29.74	438.63	8.53	-21.21
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=CC=C3OC2)C(=O)[O-])=C1	REAL300012057913	0	44	0.0	-29.86	358.55	8.93	-20.93
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])O2)C=C1	REAL300012057914	0	48	0.0	-33.06	391.95	11.00	-22.06
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])O1	REAL300012057915	0	45	0.0	-31.69	367.24	7.92	-23.77
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C2=CC=CN=C2)C(=O)[O-])=C1	REAL300012057916	0	44	0.0	-28.75	363.84	6.50	-22.25
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)C(=O)[O-])=C1	REAL300012057917	0	51	0.0	-30.36	413.29	7.47	-22.89
CC1=CN=CC(CC([NH2+]CC2=CC=C(OCC3CCCO3)C=C2)C(=O)[O-])=C1	REAL300012057918	0	53	0.0	-32.42	420.80	9.05	-23.37
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)S2)C(=O)[O-])=C1	REAL300012057919	0	35	0.0	-26.60	318.43	8.12	-18.48
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)C(=O)[O-])=C1	REAL300012057920	0	45	0.0	-28.67	386.73	11.29	-17.38
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=CC=CN=C32)C(=O)[O-])=C1	REAL300012057921	0	43	0.0	-30.68	350.94	8.94	-21.74
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)C(=O)[O-])=C1	REAL300012057922	0	51	0.0	-27.85	410.26	9.93	-17.92
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012057923	0	47	0.0	-27.12	383.33	7.44	-19.68
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C(=O)[O-])=C1	REAL300012057924	0	45	0.0	-33.42	368.66	9.65	-23.77
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C(=O)[O-])=C1	REAL300012057925	0	44	0.0	-35.60	364.43	11.00	-24.60
CC1=CN=CC(CC([NH2+]CC2=C(Cl)N=C3C(=C2)C=NN3C(C)C)C(=O)[O-])=C1	REAL300012057926	0	49	0.0	-28.13	411.29	9.55	-18.58
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)C(=O)[O-])=C1	REAL300012057927	0	45	0.0	-28.08	397.15	11.74	-16.34
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)C(=O)[O-])=C1	REAL300012057928	0	45	0.0	-28.83	389.54	11.40	-17.43
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC=C2F)C(=O)[O-])=C1	REAL300012057929	0	38	0.0	-30.22	324.45	8.53	-21.69
CC1=CN=CC(CC([NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)C(=O)[O-])=C1	REAL300012057930	0	41	0.0	-26.36	363.06	9.92	-16.44
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C=C2Cl)C(=O)[O-])=C1	REAL300012057931	0	38	0.0	-29.70	330.69	8.94	-20.76
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C(Cl)=C2)C(=O)[O-])=C1	REAL300012057932	0	38	0.0	-32.19	333.71	8.97	-23.22
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012057933	0	41	0.0	-33.38	356.78	9.57	-23.81
CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012057934	0	45	0.0	-29.00	361.66	8.67	-20.33
CC1=CN=CC(CC([NH2+]CC2=CC=C(C)C(F)=C2)C(=O)[O-])=C1	REAL300012057935	0	41	0.0	-32.58	337.03	9.15	-23.43
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=CC=C2Cl)C(=O)[O-])=C1	REAL300012057936	0	38	0.0	-27.15	341.01	9.38	-17.77
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012057937	0	41	0.0	-32.78	347.44	9.58	-23.20
CC1=CN=CC(CC([NH2+]CC2=CC(F)=C(F)C(F)=C2)C(=O)[O-])=C1	REAL300012057938	0	38	0.0	-33.81	331.48	8.63	-25.18
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012057939	0	41	0.0	-32.13	356.27	9.54	-22.59
CC1=CN=CC(CC([NH2+]CC2=CC(C(F)(F)F)=CC=C2F)C(=O)[O-])=C1	REAL300012057940	0	41	0.0	-27.33	354.41	9.45	-17.88
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(Cl)=C1OC	REAL300012057941	0	46	0.0	-32.32	383.47	8.12	-24.20
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])=C1	REAL300012057942	0	41	0.0	-27.47	349.87	9.98	-17.49
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C(F)=C2)C(=O)[O-])=C1	REAL300012057943	0	38	0.0	-32.30	333.71	8.98	-23.32
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=CC=C2OC(F)F)C(=O)[O-])=C1	REAL300012057944	0	42	0.0	-28.01	365.79	8.56	-19.45
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C(=O)[O-])=C1	REAL300012057945	0	45	0.0	-27.68	395.74	11.69	-15.99
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)C(=O)[O-])=C1	REAL300012057946	0	48	0.0	-29.97	393.72	6.93	-23.04
CC1=CN=CC(CC([NH2+]CC2=CC=CN=C2Cl)C(=O)[O-])=C1	REAL300012057947	0	37	0.0	-26.32	319.44	7.07	-19.25
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012057948	0	49	0.0	-37.54	412.64	9.10	-28.44
CC1=CN=CC(CC([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C(=O)[O-])=C1	REAL300012057949	0	51	0.0	-34.42	418.61	10.04	-24.38
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C(C)C)C(=O)[O-])=C1	REAL300012057950	0	47	0.0	-30.40	377.30	8.14	-22.26
CC1=CN=CC(CC([NH2+]CC2=C(Cl)N(C)N=C2C(C)C)C(=O)[O-])=C1	REAL300012057951	0	47	0.0	-25.19	389.84	8.31	-16.88
COCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012057952	0	49	0.0	-30.99	395.28	7.94	-23.05
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1Cl	REAL300012057953	0	42	0.0	-31.70	357.99	8.37	-23.33
CC1=CN=CC(CC([NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C(=O)[O-])=C1	REAL300012057954	0	43	0.0	-38.43	370.56	7.36	-31.07
CC1=CN=CC(CC([NH2+]CC2=NC3=CC=CC=C3N2C(C)C)C(=O)[O-])=C1	REAL300012057955	0	50	0.0	-27.19	393.59	10.09	-17.10
CC1=CN=CC(CC([NH2+]CC2=CC=C(NC(=O)OC(C)(C)C)N=C2)C(=O)[O-])=C1	REAL300012057956	0	54	0.0	-33.56	429.27	8.33	-25.23
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012057957	0	45	0.0	-31.50	381.23	9.13	-22.37
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])=C1	REAL300012057958	0	44	0.0	-29.96	354.09	7.60	-22.36
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=C2OCCCO3)C(=O)[O-])=C1	REAL300012057959	0	47	0.0	-32.98	372.30	8.46	-24.52
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012057960	0	50	0.0	-33.46	397.88	10.56	-22.90
CCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012057961	0	48	0.0	-28.79	383.16	9.47	-19.32
CC1=CN=CC(CC([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])=C1	REAL300012057962	0	45	0.0	-31.31	378.53	11.09	-20.22
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C(=O)[O-])=C1	REAL300012057963	0	52	0.0	-29.64	406.55	10.71	-18.93
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OC(C)C)=C2)C(=O)[O-])=C1	REAL300012057964	0	48	0.0	-29.77	379.58	9.29	-20.48
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C2=CC3=CC=CC=C3O2)C(=O)[O-])=C1	REAL300012057965	0	51	0.0	-34.41	417.24	10.87	-23.54
CC1=CC=C(C2=NC(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])=CS2)C=C1	REAL300012057966	1	47	0.0	-33.05	396.55	9.91	-23.14
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C(=O)[O-])=C1	REAL300012057968	0	52	0.0	-30.57	425.29	11.89	-18.68
CC1=CN=CC(CC([NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)C(=O)[O-])=C1	REAL300012057969	0	48	0.0	-34.64	406.74	8.75	-25.89
CC1=CC=C(OCC2=NC(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])=CS2)C=C1	REAL300012057970	0	51	0.0	-34.67	428.14	9.42	-25.25
CC1=CN=CC(CC([NH2+]CC2=CSC(C3=CSC=C3)=N2)C(=O)[O-])=C1	REAL300012057972	0	41	0.0	-33.73	368.34	8.25	-25.48
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])=C1	REAL300012057973	0	45	0.0	-28.87	386.74	11.29	-17.58
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OCC(=O)N(C)C)C(=O)[O-])=C1	REAL300012057974	0	52	0.0	-40.86	419.02	9.33	-31.53
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OC2CCCC2)C(=O)[O-])=C1	REAL300012057975	0	52	0.0	-27.51	405.14	10.78	-16.73
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])S2)C=C1	REAL300012057976	0	48	0.0	-27.72	401.73	11.90	-15.82
CC1=CN=CC(CC([NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C(=O)[O-])=C1	REAL300012057977	0	44	0.0	-31.82	378.58	8.75	-23.07
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012057978	0	42	0.0	-27.64	374.71	8.89	-18.75
CC1=CN=CC(CC([NH2+]CC2=CC(Br)=CC=C2Cl)C(=O)[O-])=C1	REAL300012057979	0	38	0.0	-26.39	342.93	9.39	-17.00
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=CC=C2Br)C(=O)[O-])=C1	REAL300012057980	0	38	0.0	-26.37	342.87	9.45	-16.92
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)C(=O)[O-])=C1	REAL300012057981	0	49	0.0	-29.10	412.68	11.39	-17.71
CCOC1=C(OC)C=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OC	REAL300012057982	0	53	0.0	-33.07	426.24	8.50	-24.57
COCCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012057983	0	52	0.0	-30.59	416.83	8.54	-22.05
CC1=CN=CC(CC([NH2+]CC2=CN=C(Cl)C(C)=C2)C(=O)[O-])=C1	REAL300012057984	0	40	0.0	-32.90	342.98	7.67	-25.23
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012057985	0	46	0.0	-28.54	378.52	7.32	-21.22
CC1=CN=CC(CC([NH2+]CC2=C(Cl)C=CC=C2OC(F)F)C(=O)[O-])=C1	REAL300012057986	0	42	0.0	-26.92	361.47	8.39	-18.53
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC3=CC=CN=C3)C(C)=C2)C(=O)[O-])=C1	REAL300012057987	0	51	0.0	-33.62	413.45	10.14	-23.48
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OCC(=O)NCC2CC2)C(=O)[O-])=C1	REAL300012057988	0	56	0.0	-39.09	452.50	9.69	-29.40
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])S2)C=C1	REAL300012057989	0	47	0.0	-28.77	397.57	10.10	-18.67
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C(=O)[O-])=C1	REAL300012057990	0	43	0.0	-27.42	366.79	9.48	-17.94
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C3=CC=CN=C23)C(=O)[O-])=C1	REAL300012057991	0	43	0.0	-26.95	355.69	9.01	-17.94
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC3=CC=CN=C32)C(=O)[O-])=C1	REAL300012057992	0	43	0.0	-27.91	356.48	9.04	-18.87
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C(=O)[O-])=C1	REAL300012057993	0	43	0.0	-27.47	366.71	9.46	-18.01
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)C(=O)[O-])=C1	REAL300012057994	0	45	0.0	-35.93	387.19	10.57	-25.36
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=C(F)C=C3C)O2)C(=O)[O-])=C1	REAL300012057995	0	48	0.0	-33.32	397.51	11.08	-22.24
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])O2)C=C1	REAL300012057996	0	51	0.0	-32.88	413.44	11.77	-21.11
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(OC(F)F)=C1	REAL300012057997	0	46	0.0	-30.53	379.84	7.43	-23.10
COC1=CC=C2OC(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])=CC2=C1	REAL300012057998	0	45	0.0	-33.83	367.66	8.24	-25.59
CC1=CN=CC(CC([NH2+]CC=CC2=CC=C(Cl)C=C2)C(=O)[O-])=C1	REAL300012057999	0	42	0.0	-31.88	360.21	10.26	-21.62
CC1=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012058000	0	44	0.0	-26.56	360.11	9.56	-17.00
CC1=CN=CC(CC([NH2+]CC2=COC3=CC=CC=C23)C(=O)[O-])=C1	REAL300012058001	0	41	0.0	-29.15	338.23	8.81	-20.34
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C(=O)[O-])=C1	REAL300012058002	0	46	0.0	-33.42	377.07	10.20	-23.22
CC1=CN=CC(CC([NH2+]CC2=CC=C(C)C(Br)=C2)C(=O)[O-])=C1	REAL300012058003	0	41	0.0	-32.45	351.95	9.70	-22.75
CC1=CN=CC(CC([NH2+]CC=CC2=CC=C(F)C=C2F)C(=O)[O-])=C1	REAL300012058004	0	42	0.0	-35.44	355.44	9.83	-25.61
CC1=CN=CC(CC([NH2+]CC2=CC=C(Br)C(C)=C2)C(=O)[O-])=C1	REAL300012058005	0	41	0.0	-31.15	351.96	9.70	-21.45
CC1=CN=CC(CC([NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C(=O)[O-])=C1	REAL300012058006	0	45	0.0	-35.68	371.35	9.63	-26.05
CC1=CN=CC(CC([NH2+]CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012058007	0	35	0.0	-23.87	315.32	7.94	-15.93
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=CC3=C2OCC3)C(=O)[O-])=C1	REAL300012058008	0	43	0.0	-29.24	363.67	8.72	-20.52
CC1=CN=CC(CC([NH2+]CC2=CC3=C(F)C=CC=C3N2)C(=O)[O-])=C1	REAL300012058009	0	42	0.0	-29.79	349.55	8.42	-21.37
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=C(F)C=C3N2)C(=O)[O-])=C1	REAL300012058010	0	42	0.0	-30.75	350.77	8.45	-22.30
CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=N1	REAL300012058011	0	44	0.0	-26.62	361.50	6.03	-20.59
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=CN=C3C(C)=C2)C(=O)[O-])=C1	REAL300012058012	0	46	0.0	-33.91	371.55	9.63	-24.28
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C(C)=C2)C(=O)[O-])=C1	REAL300012058013	0	41	0.0	-31.19	347.92	9.62	-21.57
CC1=CN=CC(CC([NH2+]CC2=CN=C3C=CSC3=C2)C(=O)[O-])=C1	REAL300012058014	0	40	0.0	-31.82	344.35	7.92	-23.90
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)C(=O)[O-])=C1	REAL300012058015	0	57	0.0	-33.55	448.81	12.71	-20.84
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058016	0	58	0.0	-22.25	433.26	11.45	-10.80
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058017	0	58	0.0	-26.02	452.89	11.49	-14.53
CCCC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058018	0	47	0.0	-28.02	376.83	10.66	-17.36
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058019	0	56	0.0	-31.91	447.28	13.29	-18.62
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1F	REAL300012058020	0	52	0.0	-30.21	409.57	9.50	-20.71
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C(SC)C=C1OC	REAL300012058021	0	50	0.0	-29.75	406.76	8.64	-21.11
COC1=CC=C2N=C(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])SC2=C1	REAL300012058022	1	44	0.0	-31.16	374.09	7.26	-23.90
CC1=CN=CC(CC([NH2+]CC2=NC3=CC=C(Cl)C=C3N2C)C(=O)[O-])=C1	REAL300012058023	0	44	0.0	-33.94	375.58	9.30	-24.64
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1C#N	REAL300012058024	0	43	0.0	-35.72	360.02	8.15	-27.57
CC1=CN=CC(CC([NH2+]CC2=CC=C(SC(F)F)C=C2)C(=O)[O-])=C1	REAL300012058025	0	42	0.0	-32.38	360.12	9.71	-22.67
CC1=CN=CC(CC([NH2+]CC2=C(C)C=C(Cl)C=C2C)C(=O)[O-])=C1	REAL300012058026	0	44	0.0	-26.39	359.07	9.92	-16.47
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C(=O)[O-])=C1	REAL300012058027	0	42	0.0	-33.65	357.92	8.10	-25.55
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])N=C1	REAL300012058028	0	44	0.0	-33.07	356.71	6.80	-26.27
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(F)(F)F)C=C2C)C(=O)[O-])=C1	REAL300012058029	0	44	0.0	-30.17	365.00	10.13	-20.04
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012058030	0	46	0.0	-32.68	389.86	8.23	-24.45
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OCC(C)C	REAL300012058031	0	55	0.0	-33.74	434.66	10.12	-23.62
CCCOC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1OC	REAL300012058032	0	52	0.0	-33.98	414.56	9.44	-24.54
CC1=CN=CC(CC([NH2+]CC2=CC=C(Br)S2)C(=O)[O-])=C1	REAL300012058033	0	35	0.0	-27.14	324.38	8.28	-18.86
CCOC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012058034	0	49	0.0	-32.23	413.02	9.27	-22.96
C=CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058035	0	46	0.0	-29.93	376.72	9.33	-20.60
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1OC(C)C	REAL300012058036	0	52	0.0	-25.74	408.33	9.46	-16.28
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OC	REAL300012058037	0	49	0.0	-32.37	413.02	9.31	-23.06
CCCOC1=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=CC=C1OCC	REAL300012058038	0	55	0.0	-25.78	434.30	10.36	-15.42
CCCCOC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1OC	REAL300012058039	0	55	0.0	-33.82	436.06	10.22	-23.60
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OC(F)F	REAL300012058040	0	46	0.0	-35.96	378.81	7.93	-28.03
CCOC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012058041	0	49	0.0	-33.78	402.82	8.92	-24.86
CC1=CN=CC(CC([NH2+]CC2=CC(C)=C(OC(F)F)C(C)=C2)C(=O)[O-])=C1	REAL300012058042	0	48	0.0	-33.02	391.00	9.57	-23.45
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-])OC(C)C2	REAL300012058043	0	53	0.0	-28.45	418.18	9.29	-19.16
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012058044	0	48	0.0	-35.19	384.83	7.50	-27.69
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C(=O)[O-])=C1	REAL300012058045	1	47	0.0	-40.63	406.94	9.94	-30.69
CCCCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1Cl	REAL300012058046	0	50	0.0	-28.06	415.43	9.49	-18.57
CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1OC(F)F	REAL300012058047	0	49	0.0	-29.41	401.32	8.98	-20.43
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OCC(=O)N2CCCC2)C(=O)[O-])=C1	REAL300012058048	0	56	0.0	-40.28	445.10	10.57	-29.71
CC1=CN=CC(CC([NH2+]CC2=CC(C)=C(C)C=C2C)C(=O)[O-])=C1	REAL300012058049	0	47	0.0	-27.79	363.57	10.26	-17.53
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C(=O)[O-])=C1	REAL300012058050	0	45	0.0	-27.27	379.01	11.18	-16.09
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OC	REAL300012058051	0	52	0.0	-32.25	434.52	10.11	-22.14
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)C(=O)[O-])=C1	REAL300012058052	0	45	0.0	-40.16	385.25	10.51	-29.65
CC1=CN=CC(CC([NH2+]CC(C)(C)C2=CC=CC=C2)C(=O)[O-])=C1	REAL300012058053	0	47	0.0	-28.62	359.19	10.12	-18.50
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C2CCCCC2)C(=O)[O-])=C1	REAL300012058054	0	54	0.0	-30.72	418.50	9.97	-20.75
CC1=CN=CC(CC([NH2+]CC(C)CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012058055	0	50	0.0	-31.50	391.46	11.33	-20.17
CCC1CCCC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C1	REAL300012058056	0	50	0.0	-30.10	363.36	9.75	-20.35
CC1=CN=CC(CC([NH2+]CC2=NC3=C(CC(C)(C)CC3)S2)C(=O)[O-])=C1	REAL300012058057	1	50	0.0	-26.39	394.59	9.10	-17.29
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058058	0	44	0.0	-22.97	358.57	9.96	-13.01
CC1=CN=CC(CC([NH2+]CC2=CC3=CC(C)=C(C)C=C3O2)C(=O)[O-])=C1	REAL300012058059	0	47	0.0	-33.30	376.48	10.17	-23.13
CCCC1CCC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])CC1	REAL300012058060	0	53	0.0	-27.68	392.73	10.76	-16.92
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)C(=O)[O-])=C1	REAL300012058061	0	45	0.0	-31.19	384.63	8.78	-22.41
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C(=O)[O-])=C1	REAL300012058062	0	45	0.0	-36.63	368.42	10.90	-25.73
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C(=O)[O-])=C1	REAL300012058063	0	45	0.0	-36.72	378.97	10.45	-26.27
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=C3OCCOC3=C2)C(=O)[O-])=C1	REAL300012058064	0	44	0.0	-32.00	372.95	8.13	-23.87
CCCCC1=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012058065	0	53	0.0	-27.03	420.57	12.03	-15.00
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C(=O)[O-])=C1	REAL300012058066	0	51	0.0	-37.66	417.21	13.11	-24.55
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058067	0	51	0.0	-29.54	414.24	10.58	-18.96
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)C(=O)[O-])=C1	REAL300012058068	0	47	0.0	-32.70	391.36	8.92	-23.78
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058069	0	45	0.0	-27.92	360.71	8.43	-19.49
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1F	REAL300012058070	0	42	0.0	-32.80	348.18	7.89	-24.91
CC1=CN=CC(CC([NH2+]CC2CCC(C(F)(F)F)CC2)C(=O)[O-])=C1	REAL300012058071	0	47	0.0	-38.54	362.04	9.48	-29.06
CC1=CN=CC(CC([NH2+]CC2CCOC(C(C)C)C2)C(=O)[O-])=C1	REAL300012058072	0	51	0.0	-34.45	382.25	8.54	-25.91
CC1=CN=CC(CC([NH2+]CC2CCC(C)(C)CC2)C(=O)[O-])=C1	REAL300012058073	0	50	0.0	-27.70	366.15	9.62	-18.08
CC1=CN=CC(CC([NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)C(=O)[O-])=C1	REAL300012058074	0	45	0.0	-37.73	389.59	9.22	-28.51
CC1=CN=CC(CC([NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)C(=O)[O-])=C1	REAL300012058075	0	44	0.0	-42.40	388.90	9.10	-33.30
CC1=CN=CC(CC([NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C(=O)[O-])=C1	REAL300012058076	0	44	0.0	-38.84	387.95	8.91	-29.93
CCSC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058077	0	45	0.0	-29.50	374.14	10.37	-19.13
CC1=CN=CC(CC([NH2+]CC2=C(O)C=CC(Cl)=C2F)C(=O)[O-])=C1	REAL300012058078	1	39	0.0	-33.73	343.62	6.25	-27.48
COC1(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])CCCCC1	REAL300012058079	0	48	0.0	-26.66	354.17	7.82	-18.84
CCN1N=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012058080	0	47	0.0	-28.57	384.21	9.30	-19.27
COCCC1(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])CCCCC1	REAL300012058081	0	54	0.0	-28.21	390.83	8.65	-19.56
CC1=CN=CC(CC([NH2+]CC2=CC(Br)=C(Cl)S2)C(=O)[O-])=C1	REAL300012058082	0	35	0.0	-28.50	340.21	8.74	-19.76
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058083	0	48	0.0	-30.95	385.31	9.54	-21.41
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058084	0	51	0.0	-27.91	429.16	10.92	-16.99
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=CC=C3O2)C(=O)[O-])=C1	REAL300012058085	0	41	0.0	-34.19	340.34	9.04	-25.15
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C(=O)[O-])=C1	REAL300012058086	0	45	0.0	-33.18	370.55	10.33	-22.85
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012058087	0	52	0.0	-32.82	411.00	9.25	-23.57
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OCC	REAL300012058088	0	55	0.0	-32.90	434.26	10.28	-22.62
CC1=CN=CC(CC([NH2+]CC2=CC=C(C)C([N+](=O)[O-])=C2)C(=O)[O-])=C1	REAL300012058089	0	43	0.0	-33.12	354.51	9.63	-23.49
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC(C)C)C=C2)C(=O)[O-])=C1	REAL300012058090	0	48	0.0	-30.83	379.58	9.29	-21.54
CCCCCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058091	0	60	0.0	-30.07	469.15	12.59	-17.48
CC1=CN=CC(CC([NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012058092	0	59	0.0	-29.19	444.04	12.79	-16.40
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C(C)=C2)C(=O)[O-])=C1	REAL300012058093	0	41	0.0	-31.92	339.18	9.22	-22.70
CC1=CN=CC(CC([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])=C1	REAL300012058094	0	42	0.0	-26.72	341.92	8.41	-18.31
CC1=CN=CC(CC([NH2+]CC2=C(Br)C=CS2)C(=O)[O-])=C1	REAL300012058095	0	35	0.0	-25.94	320.63	8.04	-17.90
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2N2CCOCC2)C(=O)[O-])=C1	REAL300012058096	0	51	0.0	-27.49	395.61	7.97	-19.52
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC=C2Br)C(=O)[O-])=C1	REAL300012058097	0	38	0.0	-26.19	330.01	8.91	-17.28
CC1=CN=CC(CC([NH2+]CC2=CC=C(CC(C)C)C=C2)C(=O)[O-])=C1	REAL300012058098	0	50	0.0	-28.96	391.50	11.13	-17.83
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])=C2)C=C1	REAL300012058099	0	51	0.0	-29.88	405.92	12.52	-17.36
COC1=CC=C(Br)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058100	0	42	0.0	-24.71	356.06	8.28	-16.43
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012058101	0	44	0.0	-43.70	365.82	9.18	-34.52
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012058102	0	38	0.0	-28.71	344.62	9.41	-19.30
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012058103	0	38	0.0	-31.17	334.28	9.05	-22.12
CC1=CN=CC(CC([NH2+]CC2=CC(Br)=CO2)C(=O)[O-])=C1	REAL300012058104	0	35	0.0	-31.15	312.76	7.21	-23.94
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)C(=O)[O-])=C1	REAL300012058105	0	51	0.0	-30.77	408.51	12.60	-18.17
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])=C1	REAL300012058106	0	42	0.0	-31.59	349.56	8.02	-23.57
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OCC	REAL300012058107	0	52	0.0	-34.03	414.92	9.56	-24.47
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C=C2F)C(=O)[O-])=C1	REAL300012058108	0	38	0.0	-31.83	334.79	8.98	-22.85
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012058109	0	41	0.0	-31.73	362.20	9.84	-21.89
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C=C2Br)C(=O)[O-])=C1	REAL300012058110	0	38	0.0	-28.93	332.54	9.01	-19.92
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012058111	0	42	0.0	-30.74	358.46	8.31	-22.43
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=CC=C2F)C(=O)[O-])=C1	REAL300012058112	0	38	0.0	-29.15	333.46	8.94	-20.21
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058113	0	52	0.0	-30.28	420.70	11.51	-18.77
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC(F)=C2)C(=O)[O-])=C1	REAL300012058114	0	38	0.0	-30.39	325.30	8.58	-21.81
CC1=CN=CC(CC([NH2+]CC2=CC=CC(Cl)=C2F)C(=O)[O-])=C1	REAL300012058115	0	38	0.0	-27.36	332.06	8.96	-18.40
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C2=CC=CC=C12	REAL300012058116	0	48	0.0	-28.49	376.39	9.77	-18.72
CC1=CN=CC(CC([NH2+]CC2=NNC=C2C2=CC=CC=C2)C(=O)[O-])=C1	REAL300012058117	0	45	0.0	-28.87	368.51	8.33	-20.54
CC1=CN=CC(CC([NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C(=O)[O-])=C1	REAL300012058117	1	45	0.0	-30.74	371.08	8.45	-22.29
CC1=CN=CC(CC([NH2+]CC2=CC=CC(F)=C2F)C(=O)[O-])=C1	REAL300012058118	0	38	0.0	-28.01	322.17	8.52	-19.49
CC1=CN=CC(CC([NH2+]CC2=NC3=CC=CC=C3N2C)C(=O)[O-])=C1	REAL300012058119	0	44	0.0	-36.38	358.88	8.86	-27.52
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=N1	REAL300012058120	0	41	0.0	-30.76	339.52	5.13	-25.63
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(Br)=C1O	REAL300012058121	0	43	0.0	-32.11	365.34	6.09	-26.02
CC1=CN=CC(CC([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])=C1	REAL300012058122	0	43	0.0	-29.69	347.05	8.24	-21.45
CC1=CN=CC(CC([NH2+]CC2=CSC(Br)=C2)C(=O)[O-])=C1	REAL300012058123	0	35	0.0	-29.31	322.80	8.16	-21.15
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C(=O)[O-])=C1	REAL300012058124	0	48	0.0	-30.80	386.67	11.92	-18.88
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012058125	0	51	0.0	-33.51	417.27	10.00	-23.51
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])=C1	REAL300012058126	0	49	0.0	-29.14	385.08	8.31	-20.83
CC1=CN=CC(CC([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])=C1	REAL300012058127	0	42	0.0	-28.28	341.25	8.38	-19.90
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C=C2C)C(=O)[O-])=C1	REAL300012058128	0	41	0.0	-28.09	330.31	9.04	-19.05
CC1=CN=CC(CC([NH2+]CC2=CC=C(Br)C(F)=C2)C(=O)[O-])=C1	REAL300012058129	0	38	0.0	-32.22	338.13	9.08	-23.14
CC1=NC(C)=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])S1	REAL300012058130	0	40	0.0	-29.67	336.99	6.94	-22.73
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C(=O)[O-])=C1	REAL300012058131	0	47	0.0	-36.07	384.18	10.40	-25.67
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(=O)[O-])=C1	REAL300012058132	0	47	0.0	-32.68	381.68	10.16	-22.52
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(=O)[O-])=C1	REAL300012058133	0	47	0.0	-33.47	381.88	10.17	-23.30
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058134	0	53	0.0	-31.48	405.13	9.03	-22.45
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C(=O)[O-])=C1	REAL300012058135	1	55	0.0	-31.36	421.67	7.21	-24.15
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(=O)[O-])=C1	REAL300012058136	0	47	0.0	-33.17	393.81	6.93	-26.24
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058137	0	45	0.0	-35.58	366.77	6.72	-28.86
CC1=CN=CC(CC([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])=C1	REAL300012058138	0	45	0.0	-32.56	375.55	9.72	-22.84
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058139	0	51	0.0	-29.08	424.56	11.03	-18.05
CC1=CN=CC(CC([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(=O)[O-])=C1	REAL300012058140	0	45	0.0	-32.14	385.86	10.17	-21.97
CC1=CN=CC(CC([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012058141	0	45	0.0	-32.57	381.23	9.13	-23.44
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300012058142	0	44	0.0	-29.46	358.59	10.69	-18.77
COC1=C2OC(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])=CC2=CC=C1	REAL300012058143	0	45	0.0	-36.59	367.68	8.26	-28.33
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(C)C)C([N+](=O)[O-])=C2)C(=O)[O-])=C1	REAL300012058144	0	49	0.0	-34.05	397.54	11.02	-23.03
CC1=CN=CC(CC([NH2+]CC2=CC(Br)=C3OCOC3=C2)C(=O)[O-])=C1	REAL300012058145	0	41	0.0	-33.73	357.69	7.72	-26.01
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058146	0	54	0.0	-29.59	429.11	10.91	-18.68
CCOC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1OCC(C)C	REAL300012058147	0	58	0.0	-33.61	456.52	11.04	-22.57
CC1=CN=CC(CC([NH2+]CC2=CC(Br)=CC=C2F)C(=O)[O-])=C1	REAL300012058148	0	38	0.0	-28.96	338.02	9.04	-19.92
CC1=CN=CC(CC([NH2+]CC2=CC=C(Br)C=C2F)C(=O)[O-])=C1	REAL300012058149	0	38	0.0	-31.21	338.03	9.04	-22.17
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC(OC)=C1	REAL300012058150	0	46	0.0	-30.30	371.48	7.05	-23.25
COC1=CC2=CC=C(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])C=C2C=C1	REAL300012058151	0	48	0.0	-30.70	387.94	9.98	-20.72
CC1=CN=CC(CC([NH2+]CC2=CC(Br)=CS2)C(=O)[O-])=C1	REAL300012058153	0	35	0.0	-28.10	324.18	8.17	-19.93
CCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OCC	REAL300012058154	0	58	0.0	-31.78	455.75	11.06	-20.72
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058155	0	51	0.0	-31.25	408.79	10.56	-20.69
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1OC(F)F	REAL300012058156	0	46	0.0	-29.74	379.46	8.06	-21.68
CC1=CN=CC(CC([NH2+]CC2=CC=C(CSC(F)F)O2)C(=O)[O-])=C1	REAL300012058157	1	42	0.0	-28.43	371.69	8.97	-19.46
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=CC=C3NC2=O)C(=O)[O-])=C1	REAL300012058158	0	44	0.0	-27.59	361.51	7.45	-20.14
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C(Br)=C2)C(=O)[O-])=C1	REAL300012058160	0	38	0.0	-32.17	338.13	9.07	-23.10
CC1=CC=C(COC2=CC=C(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])C=C2)C=C1	REAL300012058161	0	55	0.0	-32.42	445.13	12.48	-19.94
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3CCCCC3)C=C2)C(=O)[O-])=C1	REAL300012058162	0	53	0.0	-27.94	404.10	9.68	-18.26
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058163	0	57	0.0	-29.69	449.81	11.89	-17.80
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1SC	REAL300012058164	0	46	0.0	-32.76	381.38	8.86	-23.90
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OCCCC#N)=C2)C(=O)[O-])=C1	REAL300012058165	0	49	0.0	-36.78	404.02	9.98	-26.80
CCCCCOC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1OC	REAL300012058166	0	58	0.0	-33.75	457.55	11.00	-22.75
CCC(C)OC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1OC	REAL300012058167	0	55	0.0	-32.50	429.58	9.97	-22.53
CCCCCCCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058168	0	60	0.0	-29.65	471.31	12.67	-16.98
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OCCCC#N	REAL300012058169	0	53	0.0	-39.48	435.41	9.95	-29.53
C=C(C)COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1OC	REAL300012058170	0	53	0.0	-34.16	425.04	9.98	-24.18
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OCCC(C)C	REAL300012058171	0	58	0.0	-32.77	451.47	10.66	-22.11
C=CCC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC(OC)=C1O	REAL300012058172	0	50	0.0	-30.80	407.35	7.59	-23.21
CC1=CN=CC(CC([NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C(=O)[O-])=C1	REAL300012058173	0	45	0.0	-33.94	371.88	8.43	-25.51
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058174	0	47	0.0	-31.63	389.36	9.36	-22.27
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058175	0	48	0.0	-31.59	409.88	6.97	-24.62
CC1=CN=CC(CC([NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C(=O)[O-])=C1	REAL300012058176	0	44	0.0	-38.48	363.21	8.26	-30.22
CC1=CN=CC(CC([NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C(=O)[O-])=C1	REAL300012058177	1	44	0.0	-32.79	375.63	9.20	-23.59
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)C(=O)[O-])=C1	REAL300012058178	0	51	0.0	-35.65	399.65	7.33	-28.32
CC1=CN=CC(CC([NH2+]CC2=CC=C3C(=C2)N=CN3C)C(=O)[O-])=C1	REAL300012058179	0	44	0.0	-32.65	358.69	9.79	-22.86
CCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1C	REAL300012058180	0	47	0.0	-28.75	374.01	8.09	-20.66
C=CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1Cl	REAL300012058181	0	46	0.0	-32.77	392.73	9.81	-22.96
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C(=O)[O-])=C1	REAL300012058182	0	44	0.0	-29.41	377.49	9.46	-19.95
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012058183	0	50	0.0	-27.01	396.74	8.31	-18.70
CC1=CN=CC(CC([NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C(=O)[O-])=C1	REAL300012058184	0	49	0.0	-29.96	388.58	9.64	-20.32
CC1=CN=CC(CC([NH2+]CC2=CSC(C3=CC=CS3)=N2)C(=O)[O-])=C1	REAL300012058186	0	41	0.0	-34.07	366.78	8.26	-25.81
CC1=CC(C2=NNC=C2C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])=CC=C1	REAL300012058187	0	48	0.0	-27.63	390.00	8.97	-18.66
CC1=CC=C(F)C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])=C1	REAL300012058188	0	41	0.0	-25.34	338.41	9.16	-16.18
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC=C2C)C(=O)[O-])=C1	REAL300012058189	0	41	0.0	-26.15	328.69	8.96	-17.19
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012058190	0	41	0.0	-32.11	367.92	10.01	-22.10
CC1=CN=CC(CC([NH2+]CC2=CC=C(Br)C=C2Cl)C(=O)[O-])=C1	REAL300012058191	0	38	0.0	-28.41	342.94	9.39	-19.02
CC1=CC=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])C(Br)=C1	REAL300012058192	0	41	0.0	-25.66	350.18	9.72	-15.94
CC1=CN=CC(CC([NH2+]CC2=CC=C(OCC(C)C)C=C2)C(=O)[O-])=C1	REAL300012058193	0	51	0.0	-30.82	405.41	10.24	-20.58
COCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058194	0	49	0.0	-32.40	395.28	7.94	-24.46
CC1=CN=CC(CC([NH2+]CC2CCCC(C)(C)C2)C(=O)[O-])=C1	REAL300012058195	0	50	0.0	-29.24	367.47	9.66	-19.58
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C(=O)[O-])=C1	REAL300012058196	0	42	0.0	-32.46	367.73	8.57	-23.89
CC1=CN=CC(CC([NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)C(=O)[O-])=C1	REAL300012058197	0	46	0.0	-35.60	403.35	9.90	-25.70
CC1=CN=CC(CC([NH2+]CC2=C(Cl)N(C)N=C2C2=CC=CC=C2)C(=O)[O-])=C1	REAL300012058198	0	48	0.0	-27.82	407.00	9.99	-17.83
CC1=CC(CC([NH2+]CC2C(C)=CCCC2C)C(=O)[O-])=CN=C1	REAL300012058199	0	48	0.0	-24.57	352.76	9.70	-14.87
COC1=CC2=C(C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-])OCO2	REAL300012058200	0	45	0.0	-30.86	366.64	6.46	-24.40
CC1=CN=CC(CC([NH2+]CC2=CN=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012058201	0	43	0.0	-28.29	345.89	8.73	-19.56
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OCC(C)C)=C2)C(=O)[O-])=C1	REAL300012058202	0	51	0.0	-28.57	403.26	10.15	-18.42
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C=C2C)C(=O)[O-])=C1	REAL300012058203	0	41	0.0	-26.83	338.99	9.40	-17.43
CC1=CN=CC(CC([NH2+]CC=CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012058204	0	42	0.0	-32.58	349.89	9.81	-22.77
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012058205	0	37	0.0	-30.55	322.87	7.04	-23.51
CC1=CN=CC(CC([NH2+]CC2=CN=CC(Br)=C2)C(=O)[O-])=C1	REAL300012058206	0	37	0.0	-30.46	328.61	7.27	-23.19
CC1=CN=CC(CC([NH2+]CC2=CC=C3C(=C2)N=NN3C)C(=O)[O-])=C1	REAL300012058207	0	43	0.0	-35.54	356.44	6.96	-28.58
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C(=O)[O-])=C1	REAL300012058208	0	49	0.0	-30.74	389.78	9.65	-21.09
CC1=CN=CC(CC([NH2+]CC2=CC(Br)=CC3=C2OCC3)C(=O)[O-])=C1	REAL300012058209	0	43	0.0	-29.07	368.23	8.83	-20.24
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=N1	REAL300012058210	0	41	0.0	-26.25	338.32	5.05	-21.20
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C2=CC=CC=C2)C(=O)[O-])=C1	REAL300012058211	0	48	0.0	-27.93	391.96	9.60	-18.33
CC1=CN=CC(CC([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C(=O)[O-])=C1	REAL300012058212	0	45	0.0	-31.96	370.82	9.71	-22.25
CC1=CN=CC(CC([NH2+]CC2=CN(C(C)C)N=C2)C(=O)[O-])=C1	REAL300012058213	0	44	0.0	-33.08	353.32	7.63	-25.45
CC1=C(Br)SC(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])=C1	REAL300012058214	0	38	0.0	-26.99	343.98	8.89	-18.10
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=C(C)N=C3C=C2)C(=O)[O-])=C1	REAL300012058215	0	46	0.0	-33.74	375.18	9.41	-24.33
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])C=C2)C=C1	REAL300012058216	0	53	0.0	-31.46	429.37	10.54	-20.92
CC1=CN=CC(CC([NH2+]CC2=NC=CC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012058217	0	40	0.0	-28.74	334.18	7.50	-21.24
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC(C)=CC(C)=C3)C=C2)C(=O)[O-])=C1	REAL300012058218	0	54	0.0	-31.90	429.48	13.26	-18.64
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3C=NC=N3)C(C)=C2)C(=O)[O-])=C1	REAL300012058219	0	47	0.0	-35.43	381.40	11.97	-23.46
CC1=CN=CC(CC([NH2+]CC2=CC3=CC(F)=CC=C3O2)C(=O)[O-])=C1	REAL300012058220	0	41	0.0	-34.30	346.75	9.11	-25.19
CC1=CN=CC(CC([NH2+]CC2=CC=C(OCC(F)F)C=C2)C(=O)[O-])=C1	REAL300012058221	0	45	0.0	-35.02	376.82	9.06	-25.96
COCC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058222	0	45	0.0	-30.36	367.51	8.17	-22.19
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058223	0	48	0.0	-31.75	407.61	10.82	-20.93
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C(=O)[O-])=C1	REAL300012058224	0	52	0.0	-31.51	427.99	11.79	-19.72
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058225	0	51	0.0	-28.17	404.15	10.28	-17.89
CC1=CN=CC(CC([NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C(=O)[O-])=C1	REAL300012058226	0	49	0.0	-33.32	413.06	12.62	-20.70
CC1=CN=CC(CC([NH2+]CC2=CC(C)=C(C)C=C2OC(F)F)C(=O)[O-])=C1	REAL300012058227	0	48	0.0	-29.32	389.47	9.31	-20.01
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OC	REAL300012058228	0	49	0.0	-31.80	383.81	8.25	-23.55
CC1=CN=CC(CC([NH2+]CC2=NC3=CC(Cl)=CC=C3N2C)C(=O)[O-])=C1	REAL300012058229	0	44	0.0	-37.26	375.68	9.38	-27.88
CC1=CN=CC(CC([NH2+]CC2=C(Cl)C=CC=C2S(C)(=O)=O)C(=O)[O-])=C1	REAL300012058230	0	44	0.0	-31.08	366.66	7.21	-23.87
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058231	0	47	0.0	-40.01	396.24	8.00	-32.01
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C2=CSC=C2)C(=O)[O-])=C1	REAL300012058232	0	42	0.0	-30.24	358.51	7.28	-22.96
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058233	0	42	0.0	-28.00	368.02	9.96	-18.04
CC1=CN=CC(CC([NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)C(=O)[O-])=C1	REAL300012058234	0	48	0.0	-37.77	400.97	10.18	-27.59
CC1=CN=CC(CC([NH2+]CC2=NC3=C(CC(C)CC3)S2)C(=O)[O-])=C1	REAL300012058235	1	47	0.0	-27.42	381.77	8.86	-18.56
CC1=CN=CC(CC([NH2+]CC2CCC(C(C)(C)C)CC2)C(=O)[O-])=C1	REAL300012058236	0	56	0.0	-27.65	395.28	10.53	-17.12
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058237	0	52	0.0	-28.16	412.58	11.22	-16.94
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058238	0	52	0.0	-29.75	414.73	11.27	-18.48
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058239	0	51	0.0	-32.06	409.92	9.52	-22.54
CC1=CN=CC(CC([NH2+]CC2=CC=C(OCC3CC3)C=C2)C(=O)[O-])=C1	REAL300012058240	0	49	0.0	-29.19	395.52	10.25	-18.94
COC1=CC(Cl)=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1Cl	REAL300012058241	0	42	0.0	-25.76	368.52	8.73	-17.03
CC1=CN=CC(CC([NH2+]CC2=CN=C(CC(C)C)S2)C(=O)[O-])=C1	REAL300012058242	0	46	0.0	-30.69	378.86	8.47	-22.22
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3=CC=CS3)S2)C(=O)[O-])=C1	REAL300012058243	0	41	0.0	-32.34	369.38	8.60	-23.74
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3=CSC=C3)S2)C(=O)[O-])=C1	REAL300012058244	0	41	0.0	-28.57	367.32	8.37	-20.20
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC(C)=CN=C3)C(=O)[O-])S2)O1	REAL300012058245	0	44	0.0	-29.51	380.87	8.33	-21.18
CC1=CN=CC(CC([NH2+]CC2=CC=C(Br)C=C2C)C(=O)[O-])=C1	REAL300012058246	0	41	0.0	-26.85	343.55	9.52	-17.33
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C(Br)=C2)C(=O)[O-])=C1	REAL300012058247	0	38	0.0	-31.91	348.57	9.52	-22.39
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C2=CC=CC=C2F)C(=O)[O-])=C1	REAL300012058248	0	45	0.0	-37.82	367.05	8.51	-29.31
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)C(=O)[O-])=C1	REAL300012058249	0	47	0.0	-30.16	385.26	10.12	-20.04
CC1=CN=CC(CC([NH2+]CC2=C(Cl)OC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012058250	0	41	0.0	-26.20	356.60	9.39	-16.81
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058251	0	49	0.0	-30.50	394.78	7.96	-22.54
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C=C2Br)C(=O)[O-])=C1	REAL300012058252	0	38	0.0	-28.30	342.88	9.45	-18.85
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058253	0	42	0.0	-29.49	362.47	8.50	-20.99
CC1=CN=CC(CC([NH2+]CC2=NC3=C(CCC3)S2)C(=O)[O-])=C1	REAL300012058254	1	41	0.0	-30.95	343.07	7.61	-23.34
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C2=CC=CS2)C(=O)[O-])=C1	REAL300012058255	0	45	0.0	-29.95	369.40	8.55	-21.40
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=CC=C2OC2CCCC2)C(=O)[O-])=C1	REAL300012058256	0	52	0.0	-27.76	421.09	11.17	-16.59
CC1=CN=CC(CC([NH2+]CC2=C(Cl)C=CC=C2OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012058257	0	49	0.0	-29.59	415.58	11.87	-17.72
CC1=CN=CC(CC([NH2+]CC2=CN(C3=CC=CC=C3)N=C2C(C)(C)C)C(=O)[O-])=C1	REAL300012058258	0	57	0.0	-28.61	434.96	11.79	-16.82
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058259	0	42	0.0	-30.01	341.98	7.74	-22.27
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)C(=O)[O-])=C1	REAL300012058260	0	45	0.0	-33.80	376.96	10.38	-23.42
CC1=CN=CC(CC([NH2+]CC2=CN=C(C(C)(C)C)S2)C(=O)[O-])=C1	REAL300012058261	0	46	0.0	-28.35	379.30	8.22	-20.13
CC1=CN=CC(CC([NH2+]CC2=CC=C3OCCOC3=C2)C(=O)[O-])=C1	REAL300012058262	0	44	0.0	-33.43	354.81	7.60	-25.83
CC1=CN=CC(CC([NH2+]CC2=CC=CC(Br)=C2)C(=O)[O-])=C1	REAL300012058263	0	38	0.0	-28.90	331.59	9.06	-19.84
CC1=CN=CC(CC([NH2+]CC2=CC=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012058264	0	38	0.0	-29.00	327.03	8.95	-20.05
CC1=CN=CC(CC([NH2+]CC2=CN(C3=CC=CC=C3)N=C2)C(=O)[O-])=C1	REAL300012058265	0	45	0.0	-34.28	369.13	9.65	-24.63
CC1=CN=CC(CC([NH2+]CC2=CN(CC3=CC=CC=C3Cl)N=C2)C(=O)[O-])=C1	REAL300012058266	0	48	0.0	-30.12	408.96	10.53	-19.59
CC1=CN=CC(CC([NH2+]CC2=CN(C(C)(C)C)N=C2)C(=O)[O-])=C1	REAL300012058267	0	47	0.0	-31.16	373.88	8.23	-22.93
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058268	0	45	0.0	-35.57	368.81	7.40	-28.17
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300012058269	0	38	0.0	-24.34	324.34	8.92	-15.42
CC1=CN=CC(CC([NH2+]CC2=CC=CC([N+](=O)[O-])=C2)C(=O)[O-])=C1	REAL300012058270	0	40	0.0	-33.71	338.52	9.11	-24.60
CC1=CN=CC(CC([NH2+]CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=C1	REAL300012058271	0	40	0.0	-36.79	338.52	9.11	-27.68
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012058272	0	44	0.0	-28.26	350.06	10.50	-17.76
CC1=CN=CC(CC([NH2+]CC2=CC=C(N(C)C)C=C2)C(=O)[O-])=C1	REAL300012058273	0	46	0.0	-30.01	362.65	8.88	-21.13
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058274	0	52	0.0	-29.92	407.60	10.82	-19.10
CC1=CN=CC(CC([NH2+]CC2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012058275	0	38	0.0	-31.47	333.75	9.14	-22.33
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C=C2)C(=O)[O-])=C1	REAL300012058276	0	38	0.0	-31.46	329.18	9.04	-22.42
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC(OC)=C1OC	REAL300012058277	0	50	0.0	-32.62	403.07	7.52	-25.10
CC1=CN=CC(CC([NH2+]CC2=C(F)C=CC=C2Cl)C(=O)[O-])=C1	REAL300012058278	0	38	0.0	-25.42	328.87	8.77	-16.65
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OC(F)F)C(=O)[O-])=C1	REAL300012058279	0	42	0.0	-29.73	350.38	8.09	-21.64
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1OC	REAL300012058280	0	46	0.0	-27.65	371.26	7.76	-19.89
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C=C2Cl)C(=O)[O-])=C1	REAL300012058281	0	38	0.0	-28.45	338.34	9.29	-19.16
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3CCOCC3)C=C2)C(=O)[O-])=C1	REAL300012058282	0	51	0.0	-31.71	395.14	7.30	-24.41
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OC	REAL300012058283	0	46	0.0	-32.38	369.05	7.64	-24.74
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(OC)=C1	REAL300012058284	0	46	0.0	-29.88	368.78	7.06	-22.82
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012058285	0	41	0.0	-30.87	351.21	9.44	-21.43
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C=C2F)C(=O)[O-])=C1	REAL300012058286	0	38	0.0	-32.46	324.46	8.53	-23.93
CC1=CN=CC(CC([NH2+]CC2=CC=CC(Cl)=C2Cl)C(=O)[O-])=C1	REAL300012058287	0	38	0.0	-26.85	340.36	9.41	-17.44
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C(Cl)=C2)C(=O)[O-])=C1	REAL300012058288	0	38	0.0	-31.90	344.35	9.42	-22.48
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])=C1	REAL300012058289	0	42	0.0	-33.33	349.56	8.02	-25.31
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012058290	0	41	0.0	-36.84	341.07	9.58	-27.26
CCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058291	0	51	0.0	-30.10	404.65	10.25	-19.85
CC1=CN=CC(CC([NH2+]CC2=CC=C(OCCC(C)C)C=C2)C(=O)[O-])=C1	REAL300012058292	0	54	0.0	-30.92	424.37	10.85	-20.07
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058293	0	57	0.0	-30.07	447.65	11.81	-18.26
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])=C1	REAL300012058294	0	49	0.0	-29.93	399.83	11.31	-18.62
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(OCCC)=C1	REAL300012058295	0	58	0.0	-29.72	456.80	10.56	-19.16
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058296	0	42	0.0	-30.11	341.96	7.82	-22.29
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058297	0	45	0.0	-31.36	360.12	10.29	-21.07
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OC	REAL300012058298	0	49	0.0	-33.30	390.91	8.56	-24.74
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(C)C)C=C2)C(=O)[O-])=C1	REAL300012058299	0	47	0.0	-29.93	372.68	10.45	-19.48
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012058300	0	41	0.0	-30.92	351.51	9.54	-21.38
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(OC)=C1OC	REAL300012058301	0	50	0.0	-28.85	403.02	7.67	-21.18
CCOC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058302	0	45	0.0	-28.25	361.16	8.70	-19.55
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058303	0	45	0.0	-31.24	363.81	8.74	-22.50
COC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058304	0	42	0.0	-29.07	340.56	7.80	-21.27
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058305	0	42	0.0	-28.32	361.91	8.42	-19.90
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC(Br)=C1O	REAL300012058306	0	43	0.0	-32.78	373.15	6.21	-26.57
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C(=O)[O-])=C1	REAL300012058307	0	48	0.0	-31.87	386.67	11.93	-19.94
COC1=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012058308	0	48	0.0	-27.88	378.18	9.86	-18.02
CSC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058309	0	42	0.0	-29.85	352.69	9.47	-20.38
CC1=CN=CC(CC([NH2+]CC2=C(Cl)C=CC=C2Cl)C(=O)[O-])=C1	REAL300012058310	0	38	0.0	-26.25	336.54	9.20	-17.05
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058311	0	50	0.0	-31.12	399.29	7.07	-24.05
CC1=CN=CC(CC([NH2+]CC2=C(C)C=C(C)C=C2C)C(=O)[O-])=C1	REAL300012058312	0	47	0.0	-26.62	363.91	10.12	-16.50
CC1=CN=CC(CC([NH2+]CC2=C(F)C=CC=C2F)C(=O)[O-])=C1	REAL300012058313	0	38	0.0	-29.76	320.93	8.48	-21.28
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C(F)=C2)C(=O)[O-])=C1	REAL300012058314	0	38	0.0	-33.44	323.83	8.53	-24.91
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058315	0	48	0.0	-29.49	404.54	10.38	-19.11
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)C(=O)[O-])=C1	REAL300012058316	0	52	0.0	-30.17	421.57	11.72	-18.45
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300012058317	0	38	0.0	-23.82	327.90	9.04	-14.78
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1O	REAL300012058318	0	43	0.0	-33.70	352.72	5.66	-28.04
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058319	0	44	0.0	-27.92	351.00	7.11	-20.81
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058320	0	41	0.0	-27.71	349.28	7.11	-20.60
CCC1=NN(C)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058321	0	44	0.0	-29.89	354.26	7.56	-22.33
CC1=CN=CC(CC([NH2+]CC2=CN(CC(F)(F)F)N=C2)C(=O)[O-])=C1	REAL300012058322	0	41	0.0	-33.40	352.52	7.60	-25.80
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C(C)(C)C)C(=O)[O-])=C1	REAL300012058323	0	50	0.0	-28.49	377.42	8.38	-20.11
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2I)C(=O)[O-])=C1	REAL300012058324	0	38	0.0	-23.00	333.21	9.47	-13.53
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3CCCCC3)C([N+](=O)[O-])=C2)C(=O)[O-])=C1	REAL300012058325	0	55	0.0	-41.34	433.31	11.69	-29.65
CC1=CN=CC(CC([NH2+]CC2=CC=C(N(C)CCC#N)C=C2)C(=O)[O-])=C1	REAL300012058326	0	50	0.0	-36.52	406.61	10.38	-26.14
CC1=CN=CC(CC([NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012058327	0	48	0.0	-28.08	392.58	10.19	-17.89
CCOC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1OC	REAL300012058328	0	49	0.0	-27.36	393.06	8.69	-18.67
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OCC(N)=O	REAL300012058329	0	50	0.0	-42.22	409.79	5.68	-36.54
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058330	0	44	0.0	-31.20	368.20	9.28	-21.92
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012058331	0	45	0.0	-35.59	365.88	6.38	-29.21
CC1=CN=CC(CC([NH2+]CC2=NN(C3=CC=CC=C3)N=C2)C(=O)[O-])=C1	REAL300012058332	0	44	0.0	-35.42	366.89	8.30	-27.12
COC1=CC2=C(C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-])OC(C)C2	REAL300012058333	0	50	0.0	-28.42	396.27	8.36	-20.06
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CS1	REAL300012058334	0	47	0.0	-43.72	390.77	8.34	-35.38
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1C	REAL300012058335	0	45	0.0	-31.80	362.03	8.56	-23.24
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C(C)(C)C)C(=O)[O-])=C1	REAL300012058336	0	47	0.0	-28.57	354.16	7.07	-21.50
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058337	0	46	0.0	-26.83	367.43	7.13	-19.70
COC1=CC=C(F)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058338	0	42	0.0	-26.62	345.16	7.73	-18.89
CC1=CN=CC(CC([NH2+]CC2=CC=CC(I)=C2)C(=O)[O-])=C1	REAL300012058339	0	38	0.0	-28.66	338.08	9.53	-19.13
CC1=CN=CC(CC([NH2+]CC2=CC=C(I)C=C2)C(=O)[O-])=C1	REAL300012058340	0	38	0.0	-31.35	340.23	9.62	-21.73
CSC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])S1	REAL300012058341	0	39	0.0	-27.37	346.00	8.77	-18.60
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2C2=CC=CC=C2C)C(=O)[O-])=C1	REAL300012058342	0	51	0.0	-25.79	400.29	12.24	-13.55
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=C2OCO3)C(=O)[O-])=C1	REAL300012058343	0	41	0.0	-27.62	336.32	7.09	-20.53
CC1=CN=CC(CC([NH2+]CC2=C(Cl)C=CS2)C(=O)[O-])=C1	REAL300012058344	0	35	0.0	-26.65	316.66	7.94	-18.71
CC1=CN=CC(CC([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])=C1	REAL300012058345	0	44	0.0	-37.65	371.00	5.96	-31.69
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C(=O)[O-])=C1	REAL300012058346	0	48	0.0	-30.42	403.42	12.38	-18.04
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058347	0	42	0.0	-28.34	345.70	7.83	-20.51
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(N)=O)C=C2)C(=O)[O-])=C1	REAL300012058348	0	42	0.0	-36.39	347.00	5.30	-31.09
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1F	REAL300012058349	0	42	0.0	-33.55	346.03	7.81	-25.74
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058350	0	42	0.0	-28.43	357.35	8.32	-20.11
COC(=O)C1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CN1C	REAL300012058351	0	45	0.0	-31.56	371.89	8.63	-22.93
CC1=CN=CC(CC([NH2+]CC2=CC=C(C)C(Cl)=C2)C(=O)[O-])=C1	REAL300012058352	0	41	0.0	-32.48	347.92	9.61	-22.87
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1C	REAL300012058353	0	45	0.0	-29.87	359.88	8.48	-21.39
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C)=C2F)C(=O)[O-])=C1	REAL300012058354	0	41	0.0	-27.50	338.36	9.17	-18.33
CC1=CN=CC(CC([NH2+]CC2=CC=C(C#N)C=C2F)C(=O)[O-])=C1	REAL300012058355	0	39	0.0	-31.45	336.71	8.84	-22.61
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C(=O)[O-])=C1	REAL300012058356	0	51	0.0	-32.50	416.49	10.11	-22.39
CC1=CN=CC(CC([NH2+]CC2=CC=C(Br)C=N2)C(=O)[O-])=C1	REAL300012058357	0	37	0.0	-34.05	328.75	7.29	-26.76
CC1=CN=CC(CC([NH2+]CC2=CN=C(N3CCOCC3)S2)C(=O)[O-])=C1	REAL300012058358	0	47	0.0	-29.51	384.85	5.71	-23.80
C#CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058359	0	47	0.0	-31.36	388.94	9.99	-21.37
CC1=CN=CC(CC([NH2+]CC2=CN3C=CC=CC3=N2)C(=O)[O-])=C1	REAL300012058360	0	41	0.0	-36.66	337.28	8.95	-27.71
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CC(C)=CN=C3)C(=O)[O-])C=C12	REAL300012058361	0	46	0.0	-35.25	377.39	8.14	-27.11
CC1=CN=CC(CC([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])=C1	REAL300012058364	0	41	0.0	-34.90	354.00	9.45	-25.45
CCOCC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1OC	REAL300012058365	0	52	0.0	-33.56	416.05	8.73	-24.83
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C(N)=O)=C2)C(=O)[O-])=C1	REAL300012058366	0	42	0.0	-34.58	347.01	5.29	-29.29
CC1=CN=CC(CC([NH2+]CC2=NC=CN2CC(F)(F)F)C(=O)[O-])=C1	REAL300012058367	0	41	0.0	-38.20	349.66	8.01	-30.19
CC1=CN=CC(CC([NH2+]CC2=CSC(C3=CC=C4OCOC4=C3)=N2)C(=O)[O-])=C1	REAL300012058368	0	47	0.0	-34.63	401.20	7.90	-26.73
CC1=CN=CC(CC([NH2+]CC2CCCCCCC2)C(=O)[O-])=C1	REAL300012058369	0	50	0.0	-27.75	355.12	9.63	-18.12
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1F	REAL300012058370	0	42	0.0	-34.81	347.35	7.77	-27.04
CC1=CN=CC(CC([NH2+]CC2=C(F)C=CC=C2Br)C(=O)[O-])=C1	REAL300012058371	0	38	0.0	-24.67	331.42	8.81	-15.86
CC1=CN=CC(CC([NH2+]CC2=CC=C3CCCC3=C2)C(=O)[O-])=C1	REAL300012058372	0	45	0.0	-27.29	356.70	10.31	-16.98
CC1=CN=CC(CC([NH2+]CC2=CSC=C2Br)C(=O)[O-])=C1	REAL300012058373	0	35	0.0	-26.04	320.78	8.01	-18.03
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OCC(C)C)C(=O)[O-])=C1	REAL300012058374	0	51	0.0	-27.45	402.18	10.16	-17.29
CC1=CN=CC(CC([NH2+]CC2=NC3=C(CCCC3)S2)C(=O)[O-])=C1	REAL300012058375	1	44	0.0	-27.61	360.98	8.25	-19.36
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC(Br)=C2)C(=O)[O-])=C1	REAL300012058376	0	38	0.0	-31.72	340.17	9.20	-22.52
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=NC=C3C=C2)C(=O)[O-])=C1	REAL300012058377	0	43	0.0	-32.48	353.48	8.91	-23.57
CC1=CN=CC(CC([NH2+]CC2=CC=CC(F)=C2Br)C(=O)[O-])=C1	REAL300012058378	0	38	0.0	-26.91	334.48	9.09	-17.82
COC1=CC(F)=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058379	0	42	0.0	-30.22	348.40	7.81	-22.41
CC1=CN=CC(CC([NH2+]CC2=CC=CC(Br)=C2F)C(=O)[O-])=C1	REAL300012058380	0	38	0.0	-27.24	336.48	9.07	-18.17
CC1=CN=CC(CC([NH2+]CC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])=C1	REAL300012058381	0	48	0.0	-32.89	384.09	8.47	-24.42
CC1=CN=CC(CC([NH2+]CC2=CC=C(S(C)=O)C=C2)C(=O)[O-])=C1	REAL300012058382	0	43	0.0	-38.32	364.67	7.11	-31.21
CC1=CN=CC(CC([NH2+]CC2=CC=C3CCCCC3=C2)C(=O)[O-])=C1	REAL300012058383	0	48	0.0	-27.75	375.18	10.93	-16.82
COC(=O)C1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CN1	REAL300012058384	0	42	0.0	-37.84	354.13	6.88	-30.96
COCC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])O1	REAL300012058385	1	42	0.0	-28.71	348.80	6.45	-22.26
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(C)=C1OC	REAL300012058386	0	49	0.0	-31.30	386.23	8.39	-22.91
CC1=CN=CC(CC([NH2+]CC2=CSC(Cl)=C2Cl)C(=O)[O-])=C1	REAL300012058387	0	35	0.0	-30.40	333.46	8.45	-21.95
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)N=C2C)C(=O)[O-])=C1	REAL300012058388	0	40	0.0	-31.28	323.84	7.02	-24.26
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058389	0	45	0.0	-28.19	360.72	8.43	-19.76
CC1=CN=CC(CC([NH2+]CC2=CN=C(C(F)(F)F)S2)C(=O)[O-])=C1	REAL300012058390	0	37	0.0	-30.44	337.21	6.80	-23.64
CC1=CN=CC(CC([NH2+]CC2=CC=CC(S(C)(=O)=O)=C2)C(=O)[O-])=C1	REAL300012058391	0	44	0.0	-36.22	373.15	6.03	-30.19
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=CS2)C(=O)[O-])=C1	REAL300012058392	0	35	0.0	-27.62	318.27	8.02	-19.60
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3CCCC3)C=C2)C(=O)[O-])=C1	REAL300012058393	0	51	0.0	-27.21	394.70	11.59	-15.62
CC1=CC(CC([NH2+]CC2=CC(C)=CC(Cl)=C2)C(=O)[O-])=CN=C1	REAL300012058394	0	41	0.0	-27.76	350.62	9.61	-18.15
COCC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058395	0	45	0.0	-31.45	366.21	8.21	-23.24
CC1=CN=CC(CC([NH2+]CC2=NC=CN2C2=CC=CC=C2)C(=O)[O-])=C1	REAL300012058396	0	45	0.0	-27.26	370.01	10.17	-17.09
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3CC3)C=C2)C(=O)[O-])=C1	REAL300012058397	0	45	0.0	-29.71	360.35	10.57	-19.14
CC1=CN=CC(CC([NH2+]CC2=NC=C(Cl)S2)C(=O)[O-])=C1	REAL300012058398	0	34	0.0	-30.06	314.32	6.19	-23.87
CC1=CN=CC(CC([NH2+]CC2=CC=NN2C2CCCC2)C(=O)[O-])=C1	REAL300012058399	0	48	0.0	-29.55	378.19	9.01	-20.54
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058400	0	48	0.0	-30.29	386.31	10.07	-20.22
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(F)F)C=C2)C(=O)[O-])=C1	REAL300012058401	0	41	0.0	-31.45	343.32	9.35	-22.10
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(C)=N1	REAL300012058402	0	47	0.0	-28.98	369.12	6.10	-22.88
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058403	0	42	0.0	-27.55	350.65	8.14	-19.41
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058404	0	48	0.0	-27.79	372.41	8.94	-18.85
CC1=NC=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012058405	0	48	0.0	-28.64	389.35	10.72	-17.92
CCCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1C	REAL300012058406	0	50	0.0	-29.46	397.66	8.92	-20.54
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3CC3)N=C2)C(=O)[O-])=C1	REAL300012058407	0	43	0.0	-31.79	354.47	8.10	-23.69
COCCN1C=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=N1	REAL300012058408	0	45	0.0	-34.92	370.47	6.24	-28.68
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3CCC3)C=C2)C(=O)[O-])=C1	REAL300012058409	0	48	0.0	-27.39	376.92	10.99	-16.40
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012058410	0	48	0.0	-31.53	384.78	10.04	-21.49
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1F	REAL300012058411	0	45	0.0	-34.19	370.03	8.75	-25.44
COC1=CC=CC2=C(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])C=CC=C12	REAL300012058412	0	48	0.0	-28.70	376.43	9.77	-18.93
CC1=CN=CC(CC([NH2+]CC2=CC(C#N)=CS2)C(=O)[O-])=C1	REAL300012058413	0	36	0.0	-33.94	323.74	7.96	-25.98
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1C#N	REAL300012058414	0	43	0.0	-37.39	360.02	8.15	-29.24
CC1=CN=CC(CC([NH2+]CC2=CC=NN2C2=CC=CC=C2C)C(=O)[O-])=C1	REAL300012058415	0	48	0.0	-26.97	386.71	10.29	-16.68
CC1=CN=CC(CC([NH2+]CC2=NC=C(C(F)(F)F)S2)C(=O)[O-])=C1	REAL300012058416	0	37	0.0	-30.55	336.51	6.71	-23.84
CC1=CN=CC(CC([NH2+]CC2=CC=C(C#N)C(C)=C2)C(=O)[O-])=C1	REAL300012058417	0	42	0.0	-34.89	350.32	9.33	-25.56
CC1=CN=CC(CC([NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C(=O)[O-])=C1	REAL300012058418	0	45	0.0	-31.74	375.00	6.77	-24.97
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(Br)=C1	REAL300012058419	0	42	0.0	-29.17	355.58	8.21	-20.96
CC1=CN=CC(CC([NH2+]CC2=CN(CC(C)C)N=C2)C(=O)[O-])=C1	REAL300012058420	0	47	0.0	-30.25	375.96	8.64	-21.61
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2C2CC2)C(=O)[O-])=C1	REAL300012058421	0	45	0.0	-26.98	353.33	10.44	-16.54
CC1=CC(Br)=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])S1	REAL300012058422	0	38	0.0	-26.41	344.02	8.96	-17.45
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C(=O)OC(C)(C)C)=C2)C(=O)[O-])=C1	REAL300012058423	0	53	0.0	-31.50	422.15	11.22	-20.28
CC1=CN=CC(CC([NH2+]CC2=C(Cl)C=CC=C2SC(C)C)C(=O)[O-])=C1	REAL300012058424	0	48	0.0	-24.16	398.57	11.04	-13.12
CCC1=CN=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])S1	REAL300012058425	1	40	0.0	-29.39	339.34	7.12	-22.27
CC1=CN=CC(CC([NH2+]CC2=CC=C3C(=C2)CCC(=O)N3C)C(=O)[O-])=C1	REAL300012058426	0	49	0.0	-35.19	389.19	9.37	-25.82
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])=C1	REAL300012058427	0	45	0.0	-28.64	370.46	8.72	-19.92
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C(=O)[O-])=C1	REAL300012058428	0	44	0.0	-29.31	394.21	9.98	-19.33
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)C(=O)[O-])=C1	REAL300012058429	0	44	0.0	-33.57	382.02	9.77	-23.80
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058430	0	55	0.0	-28.84	436.62	11.88	-16.96
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)C(=O)[O-])=C1	REAL300012058431	0	49	0.0	-28.63	410.87	10.83	-17.80
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058432	0	47	0.0	-30.02	373.13	8.16	-21.86
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3CCCC3)S2)C(=O)[O-])=C1	REAL300012058433	0	47	0.0	-27.90	383.06	9.03	-18.87
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)C(=O)[O-])=C1	REAL300012058434	0	44	0.0	-34.34	385.65	9.76	-24.58
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3CC3)S2)C(=O)[O-])=C1	REAL300012058435	0	41	0.0	-28.15	349.07	8.03	-20.12
CC1=CN=CC(CC([NH2+]CC2=CN=C(C(C)C)S2)C(=O)[O-])=C1	REAL300012058436	0	43	0.0	-28.37	361.43	7.75	-20.62
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3=CC=CO3)S2)C(=O)[O-])=C1	REAL300012058437	0	41	0.0	-29.87	358.96	7.50	-22.37
CC1=CN=CC(CC([NH2+]CC2=CC=C(Br)C(Cl)=C2)C(=O)[O-])=C1	REAL300012058438	0	38	0.0	-31.80	348.57	9.52	-22.28
CC1=CN=CC(CC([NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)C(=O)[O-])=C1	REAL300012058439	0	50	0.0	-31.35	420.73	10.99	-20.36
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CN(C)N=C3)C=C2)C(=O)[O-])=C1	REAL300012058440	0	48	0.0	-33.90	390.42	9.74	-24.16
CC1=CN=CC(CC([NH2+]CC2=CN(CC(F)F)N=C2)C(=O)[O-])=C1	REAL300012058441	0	41	0.0	-35.51	347.64	7.40	-28.11
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C(=O)[O-])=C1	REAL300012058442	0	49	0.0	-33.34	407.57	11.43	-21.91
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012058443	0	48	0.0	-27.83	397.00	9.64	-18.19
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C2=CC=C(C#N)C=C2)C(=O)[O-])=C1	REAL300012058444	0	49	0.0	-31.07	412.78	9.99	-21.08
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(=O)N(C)C)N2)C(=O)[O-])=C1	REAL300012058445	0	46	0.0	-39.39	369.77	6.70	-32.69
CC1=CN=CC(CC([NH2+]CC2=CC(C(N)=O)=CS2)C(=O)[O-])=C1	REAL300012058446	0	39	0.0	-37.24	338.82	4.30	-32.94
CC1=CN=CC(CC([NH2+]CC2=CC=C(N(C)C3=CC=CC=C3)N=C2)C(=O)[O-])=C1	REAL300012058447	0	52	0.0	-33.27	419.53	10.83	-22.44
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058448	0	50	0.0	-29.20	397.33	8.74	-20.46
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3CCC3)S2)C(=O)[O-])=C1	REAL300012058449	0	44	0.0	-29.77	364.87	8.55	-21.22
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3CCCO3)S2)C(=O)[O-])=C1	REAL300012058450	0	45	0.0	-31.24	375.22	6.61	-24.63
CC1=CN=CC(CC([NH2+]CC2=CN(C3=CC=CC=C3C)N=N2)C(=O)[O-])=C1	REAL300012058451	0	47	0.0	-38.60	381.27	9.07	-29.53
CC1=CN=CC(CC([NH2+]CC2=CC(Br)=NN2C)C(=O)[O-])=C1	REAL300012058452	0	38	0.0	-31.40	333.48	6.46	-24.94
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CN(C)N=C3)S2)C(=O)[O-])=C1	REAL300012058453	0	45	0.0	-31.23	386.43	9.13	-22.10
CC1=CN=CC(CC([NH2+]CC2=CC=C3OCCCCOC3=C2)C(=O)[O-])=C1	REAL300012058454	0	50	0.0	-33.08	391.56	9.33	-23.75
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058455	0	45	0.0	-27.52	374.87	9.19	-18.33
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058456	0	44	0.0	-23.96	350.22	9.55	-14.41
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C(Cl)=C2Cl)C(=O)[O-])=C1	REAL300012058457	0	38	0.0	-25.33	344.05	9.39	-15.94
CC1=CN=CC(CC([NH2+]CC2=NN(C(F)F)C=C2)C(=O)[O-])=C1	REAL300012058458	0	38	0.0	-34.41	325.78	6.28	-28.13
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058459	0	49	0.0	-28.97	398.05	8.82	-20.15
CC1=CN=CC(CC([NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)C(=O)[O-])=C1	REAL300012058460	0	42	0.0	-28.70	360.28	8.31	-20.39
CC1=CN=CC(CC([NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012058461	0	45	0.0	-27.75	375.10	9.41	-18.34
CC1=CC=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012058462	0	51	0.0	-27.01	411.16	10.27	-16.74
CC1=CC=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012058463	0	51	0.0	-29.65	403.29	9.77	-19.88
CC1=CN=CC(CC([NH2+]CC2=NC=C(C(C)C)S2)C(=O)[O-])=C1	REAL300012058464	1	43	0.0	-29.52	360.61	7.73	-21.79
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=C(C)C=C2Br)C(=O)[O-])=C1	REAL300012058465	0	41	0.0	-23.51	362.04	10.08	-13.43
CC1=CN=CC(CC([NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)C(=O)[O-])=C1	REAL300012058466	0	48	0.0	-28.05	410.40	10.37	-17.68
CC1=CN=CC(CC([NH2+]CC2=NC=C(C(C)(C)C)S2)C(=O)[O-])=C1	REAL300012058467	1	46	0.0	-29.44	378.81	8.23	-21.21
CC1=CN=CC(CC([NH2+]CC2=C(C3CC3)N=CS2)C(=O)[O-])=C1	REAL300012058468	0	41	0.0	-27.08	344.50	7.78	-19.30
CC1=CN=CC(CC([NH2+]CC2=CN(CCC#N)N=C2C2=CC=NC=C2)C(=O)[O-])=C1	REAL300012058469	0	51	0.0	-32.85	427.91	9.19	-23.66
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)C(=O)[O-])=C1	REAL300012058470	0	44	0.0	-25.59	369.13	11.96	-13.63
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058471	0	48	0.0	-31.53	387.72	8.94	-22.59
COCCCN1N=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058472	0	48	0.0	-28.81	373.30	6.88	-21.93
CC1=CN=CC(CC([NH2+]CC2=C(F)C=C(C)C=C2Cl)C(=O)[O-])=C1	REAL300012058473	0	41	0.0	-26.28	351.92	9.49	-16.79
COCCOCC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058474	0	52	0.0	-31.35	423.02	8.40	-22.95
CC1=CN=CC(CC([NH2+]CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012058476	0	38	0.0	-25.26	329.32	8.38	-16.88
CC1=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012058477	0	44	0.0	-26.38	381.40	10.98	-15.40
CCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=N1	REAL300012058478	0	43	0.0	-33.49	351.60	6.10	-27.39
CC1=CN=CC(CC([NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)C(=O)[O-])=C1	REAL300012058479	0	52	0.0	-37.25	434.59	10.81	-26.44
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C3CC3)=C2)C(=O)[O-])=C1	REAL300012058480	0	45	0.0	-28.38	361.69	10.54	-17.84
CC1=CN=CC(CC([NH2+]CC2=CC=C(C#N)C(F)=C2)C(=O)[O-])=C1	REAL300012058481	0	39	0.0	-36.19	337.07	8.88	-27.31
CC1=CN=CC(CC([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])=C1	REAL300012058482	0	41	0.0	-36.28	349.91	7.54	-28.74
CC1=CN=CC(CC([NH2+]CC2=C(F)C=C(C)C=C2F)C(=O)[O-])=C1	REAL300012058483	0	41	0.0	-29.35	343.16	9.18	-20.17
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])O1	REAL300012058484	0	48	0.0	-31.99	389.85	9.20	-22.79
CC1=CN=CC(CC([NH2+]CC2=CC=NN2CC(C)C)C(=O)[O-])=C1	REAL300012058485	0	47	0.0	-26.96	366.60	8.34	-18.62
CC1=CN=CC(CC([NH2+]CC2=CC(Br)=CN=C2Cl)C(=O)[O-])=C1	REAL300012058486	0	37	0.0	-24.57	339.41	7.63	-16.94
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CN1	REAL300012058487	0	45	0.0	-35.28	368.19	7.40	-27.88
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3=CC=C(C)C(C)=C3)S2)C(=O)[O-])=C1	REAL300012058488	0	50	0.0	-28.94	414.55	10.62	-18.32
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058489	0	48	0.0	-35.57	393.31	10.34	-25.23
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058490	0	48	0.0	-33.95	403.00	10.94	-23.01
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058491	0	51	0.0	-31.70	412.27	10.98	-20.72
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(C)(C)C#N)C=C2)C(=O)[O-])=C1	REAL300012058492	0	48	0.0	-35.31	389.03	10.48	-24.83
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2C(C)C)C(=O)[O-])=C1	REAL300012058493	0	47	0.0	-25.53	360.92	10.06	-15.47
CC1=CN=CC(CC([NH2+]CC2=NN3CCCCC3=C2)C(=O)[O-])=C1	REAL300012058494	0	45	0.0	-32.46	354.90	7.77	-24.69
CC1=CN=CC(CC([NH2+]CC2=CN=NN2C2=CC=CC=C2)C(=O)[O-])=C1	REAL300012058495	0	44	0.0	-29.86	361.49	8.04	-21.82
CC1=CN=CC(CC([NH2+]CC2=CC3=CN=CC=C3O2)C(=O)[O-])=C1	REAL300012058496	0	40	0.0	-35.08	332.91	7.23	-27.85
COC1=CC(OC)=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1F	REAL300012058497	0	46	0.0	-32.48	376.29	7.24	-25.24
COC1=CC(F)=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OC	REAL300012058498	0	46	0.0	-27.28	374.40	7.65	-19.63
CC1=CC=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])C(Cl)=C1	REAL300012058499	0	41	0.0	-26.18	346.59	9.62	-16.56
CC1=NN(C2=CC=CC(C)=C2)C=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058500	0	51	0.0	-31.08	410.26	10.90	-20.18
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(F)=C1	REAL300012058501	0	42	0.0	-27.48	345.37	7.75	-19.73
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=C2CCC3)C(=O)[O-])=C1	REAL300012058502	0	45	0.0	-28.79	355.33	10.41	-18.38
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058503	0	42	0.0	-26.51	344.63	7.77	-18.74
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(C)=C1	REAL300012058504	0	51	0.0	-27.13	395.09	9.94	-17.19
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=NC=C3S2)C(=O)[O-])=C1	REAL300012058505	0	40	0.0	-29.03	343.28	8.14	-20.89
CC1=CN=CC(CC([NH2+]CC2=C3CCCN3N=C2)C(=O)[O-])=C1	REAL300012058506	0	42	0.0	-35.04	338.93	7.12	-27.92
CC1=CN=CC(CC([NH2+]CC2=CC3=CC(Br)=CC=C3O2)C(=O)[O-])=C1	REAL300012058507	0	41	0.0	-33.82	361.63	9.66	-24.16
CCC1=C2OC(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])=CC2=CC=C1	REAL300012058508	0	47	0.0	-33.12	381.09	10.40	-22.72
C=CCCN1C=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])N=N1	REAL300012058509	0	44	0.0	-39.30	364.99	7.17	-32.13
CC1=CN=CC(CC([NH2+]CC2=CC=NN2CC2CC2)C(=O)[O-])=C1	REAL300012058510	0	45	0.0	-27.41	363.94	8.38	-19.03
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OC3CC3)=C2F)C(=O)[O-])=C1	REAL300012058511	0	46	0.0	-29.11	378.40	9.51	-19.60
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(C)=C1	REAL300012058512	0	48	0.0	-27.44	373.62	9.12	-18.32
CC1=CN=CC(CC([NH2+]CC2=CC=CC(F)=C2OC(F)F)C(=O)[O-])=C1	REAL300012058513	0	42	0.0	-31.49	356.81	8.15	-23.34
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC=C2OC(F)F)C(=O)[O-])=C1	REAL300012058514	0	42	0.0	-28.58	355.45	8.11	-20.47
COC1=NC=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058515	0	41	0.0	-31.56	338.25	5.22	-26.34
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C3CCCC3)=C2)C(=O)[O-])=C1	REAL300012058516	0	51	0.0	-29.60	396.68	11.72	-17.88
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C2=CN(C)N=C2)C(=O)[O-])=C1	REAL300012058517	0	48	0.0	-30.10	391.99	7.26	-22.84
COCC1=CSC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058518	0	42	0.0	-28.43	358.00	7.27	-21.16
CC1=CN=CC(CC([NH2+]CC2=CN(C3CCC3)N=N2)C(=O)[O-])=C1	REAL300012058519	0	44	0.0	-37.49	352.48	6.91	-30.58
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)C(=O)[O-])=C1	REAL300012058520	0	44	0.0	-32.51	394.24	10.05	-22.46
CC1=CN=CC(CC([NH2+]CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012058521	0	38	0.0	-32.04	343.10	8.58	-23.46
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(F)(F)F)O2)C(=O)[O-])=C1	REAL300012058522	0	38	0.0	-34.58	332.22	7.80	-26.78
CC1=CN=CC(CC([NH2+]CC2=C(C(F)(F)F)SC=C2)C(=O)[O-])=C1	REAL300012058523	0	38	0.0	-24.01	333.74	8.56	-15.45
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C(F)=C2N(C)C)C(=O)[O-])=C1	REAL300012058524	0	46	0.0	-31.53	370.81	8.47	-23.06
CC1=CN=CC(CC([NH2+]CC2=C(F)C=CC(F)=C2Cl)C(=O)[O-])=C1	REAL300012058525	0	38	0.0	-29.37	334.70	8.90	-20.47
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=C(OC(C)C)C=C2Cl)C(=O)[O-])=C1	REAL300012058526	0	48	0.0	-25.90	409.62	10.32	-15.58
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC3CCOC3)C=C2)C(=O)[O-])=C1	REAL300012058527	0	50	0.0	-33.86	396.48	8.12	-25.74
CC1=CN=CC(CC([NH2+]CC2=CC(F)=C(N(C)C)C=C2F)C(=O)[O-])=C1	REAL300012058528	0	46	0.0	-27.54	377.87	8.03	-19.51
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058529	0	52	0.0	-31.09	412.00	10.18	-20.91
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C(F)=C2F)C(=O)[O-])=C1	REAL300012058530	0	38	0.0	-27.90	328.28	8.58	-19.32
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012058531	0	45	0.0	-31.55	379.36	8.77	-22.78
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OC	REAL300012058532	0	50	0.0	-32.52	425.92	9.88	-22.64
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OC1CC1	REAL300012058533	0	50	0.0	-34.48	402.24	9.38	-25.10
CCCN1N=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058534	0	44	0.0	-27.85	350.01	7.61	-20.24
CC1=CN=CC(CC([NH2+]CC2=CC(C(F)(F)F)=NN2C)C(=O)[O-])=C1	REAL300012058535	0	41	0.0	-33.41	354.44	6.99	-26.42
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058536	0	52	0.0	-33.74	414.05	8.72	-25.02
CCCC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])S1	REAL300012058537	0	44	0.0	-30.54	367.55	9.98	-20.56
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])=C1	REAL300012058538	0	45	0.0	-29.69	378.52	11.02	-18.67
CC1=CN=CC(CC([NH2+]CC2=CC=NN2CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012058539	0	51	0.0	-27.48	396.19	9.94	-17.54
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C(C)C)=C2)C(=O)[O-])=C1	REAL300012058540	0	47	0.0	-29.64	372.68	10.44	-19.20
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2Cl)C(=O)[O-])=C1	REAL300012058541	0	38	0.0	-27.78	331.97	6.65	-21.13
CC1=CN=CC(CC([NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)C(=O)[O-])=C1	REAL300012058542	0	45	0.0	-31.89	379.59	9.03	-22.86
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012058543	0	54	0.0	-29.62	410.97	10.42	-19.20
CC1=CN=CC(CC([NH2+]CC2=CC=CC(CC3CCC3)=C2)C(=O)[O-])=C1	REAL300012058544	0	51	0.0	-29.65	403.51	12.03	-17.62
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058545	0	46	0.0	-25.84	383.96	7.61	-18.23
CC1=CN=CC(CC([NH2+]CC2=CC(C)=C(Br)C=N2)C(=O)[O-])=C1	REAL300012058546	0	40	0.0	-33.57	347.26	7.87	-25.70
CC1=CN=CC(CC([NH2+]CC2=CC(C)=C(F)C=C2Br)C(=O)[O-])=C1	REAL300012058547	0	41	0.0	-23.26	353.28	9.69	-13.57
CC1=CN=CC(CC([NH2+]CC2=C(O)C=CC=C2Br)C(=O)[O-])=C1	REAL300012058548	0	39	0.0	-28.34	338.75	6.11	-22.23
CC1=CN=CC(CC([NH2+]CC2=CSC(C3=CN(C)N=C3)=N2)C(=O)[O-])=C1	REAL300012058549	0	44	0.0	-38.18	381.97	7.10	-31.08
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1Cl	REAL300012058550	0	42	0.0	-32.19	355.83	8.29	-23.90
CC1=CN=CC(CC([NH2+]CC2=CC=NN2CC2CCC2)C(=O)[O-])=C1	REAL300012058551	0	48	0.0	-29.36	383.17	9.01	-20.35
CC1=CN=CC(CC([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)C(=O)[O-])=C1	REAL300012058552	0	44	0.0	-39.41	369.62	8.33	-31.08
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2CC(F)(F)F)C(=O)[O-])=C1	REAL300012058553	0	44	0.0	-29.60	358.63	9.92	-19.68
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2Br)C(=O)[O-])=C1	REAL300012058554	0	38	0.0	-26.63	334.70	6.69	-19.94
CC1=CC=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])C(F)=C1	REAL300012058555	0	41	0.0	-26.50	337.29	9.14	-17.36
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058556	0	45	0.0	-37.31	366.40	7.35	-29.96
CC1=CN=CC(CC([NH2+]CC2=CN=C3C(=C2)C=NN3C)C(=O)[O-])=C1	REAL300012058557	0	43	0.0	-35.07	355.47	7.53	-27.54
CC1=CN=CC(CC([NH2+]CC2=NC=C(Br)C=C2F)C(=O)[O-])=C1	REAL300012058558	0	37	0.0	-29.79	334.12	7.30	-22.49
COC1=CC(Cl)=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OC	REAL300012058559	0	46	0.0	-26.56	383.03	8.12	-18.44
CC1=CN=CC(CC([NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012058560	0	44	0.0	-33.28	373.44	10.30	-22.98
CC1=CN=CC(CC([NH2+]CC2=CC=CC(CNC(=O)OC(C)(C)C)=C2)C(=O)[O-])=C1	REAL300012058561	0	58	0.0	-32.78	459.02	8.86	-23.92
CC1=CN=CC(CC([NH2+]CC2=C3CCCCC3=NN2C)C(=O)[O-])=C1	REAL300012058562	0	48	0.0	-30.54	376.65	8.50	-22.04
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C(C)N1	REAL300012058563	0	51	0.0	-30.25	412.79	8.92	-21.33
CC1=C(C)C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])=CS1	REAL300012058564	0	41	0.0	-28.65	339.06	8.83	-19.82
CC1=CN=CC(CC([NH2+]CC2=CN=C(Cl)C(F)=C2)C(=O)[O-])=C1	REAL300012058565	0	37	0.0	-32.49	328.75	7.09	-25.40
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C(=O)[O-])=C1	REAL300012058566	0	48	0.0	-33.25	403.34	12.41	-20.84
CC1=CN=CC(CC([NH2+]CC2=CC=C(Br)C(F)=C2F)C(=O)[O-])=C1	REAL300012058567	0	38	0.0	-27.63	343.90	9.17	-18.46
CC1=CN=CC(CC([NH2+]CC2=C(Br)SC=C2)C(=O)[O-])=C1	REAL300012058568	0	35	0.0	-23.37	319.11	8.06	-15.31
CCOC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C(F)C=C1OC	REAL300012058569	0	49	0.0	-27.68	397.57	8.61	-19.07
COC1=NC=C(Br)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058570	0	41	0.0	-29.42	359.54	5.83	-23.59
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C(=O)[O-])=C1	REAL300012058571	0	44	0.0	-28.51	353.60	10.45	-18.06
CC1=CN=CC(CC([NH2+]CC2=CC=CN=C2Br)C(=O)[O-])=C1	REAL300012058572	0	37	0.0	-25.77	323.03	7.13	-18.64
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C(F)C=C1Br	REAL300012058573	0	42	0.0	-26.61	366.91	8.45	-18.16
CC1=CN=CC(CC([NH2+]CC2=CC=CC(Br)=C2Cl)C(=O)[O-])=C1	REAL300012058574	0	38	0.0	-26.80	344.58	9.51	-17.29
CC1=CN=CC(CC([NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)C(=O)[O-])=C1	REAL300012058575	0	42	0.0	-33.52	362.23	8.32	-25.20
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC=C2OC(C)C)C(=O)[O-])=C1	REAL300012058576	0	48	0.0	-28.54	386.79	9.42	-19.12
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058577	0	45	0.0	-31.20	368.91	8.77	-22.43
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)C(=O)[O-])=C1	REAL300012058578	0	52	0.0	-36.41	408.46	9.52	-26.89
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC(F)F)C=C2F)C(=O)[O-])=C1	REAL300012058579	0	42	0.0	-35.41	357.29	8.03	-27.38
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C(=O)[O-])=C1	REAL300012058580	0	51	0.0	-29.61	392.86	9.65	-19.96
CC1=CN=CC(CC([NH2+]CC2=CC=CC(Cl)=C2C)C(=O)[O-])=C1	REAL300012058581	0	41	0.0	-27.38	339.17	9.49	-17.89
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C(F)C=C1C	REAL300012058582	0	45	0.0	-25.73	366.56	8.53	-17.20
CC1=CN=CC(CC([NH2+]CC2=CC=C(C)C(Br)=C2C)C(=O)[O-])=C1	REAL300012058583	0	44	0.0	-28.20	363.57	10.21	-17.99
CC1=CN=CC(CC([NH2+]CC2=NC=CC(C)=C2Br)C(=O)[O-])=C1	REAL300012058584	0	40	0.0	-28.15	341.94	7.68	-20.47
CC1=CN=CC(CC([NH2+]CC2=CC=C(NC(=O)OC(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012058585	0	55	0.0	-33.34	434.53	8.76	-24.58
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C2=CC(F)=CC=C2F)C(=O)[O-])=C1	REAL300012058586	0	48	0.0	-32.56	402.89	9.71	-22.85
CC1=CN=CC(CC([NH2+]CC2=NC(C(C)(C)C)=CS2)C(=O)[O-])=C1	REAL300012058587	1	46	0.0	-26.69	375.88	8.16	-18.53
COCCC1=NC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])S1	REAL300012058588	0	44	0.0	-29.21	373.02	6.18	-23.03
CC1=CN=CC(CC([NH2+]CC2=CC(Br)=CC(F)=C2O)C(=O)[O-])=C1	REAL300012058590	1	39	0.0	-29.41	349.62	6.34	-23.07
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC(F)=C2O)C(=O)[O-])=C1	REAL300012058591	1	39	0.0	-29.23	333.41	5.75	-23.48
CC1=CN=CC(CC([NH2+]CC2=C3CSCCC3=NN2C)C(=O)[O-])=C1	REAL300012058592	0	46	0.0	-31.11	373.86	8.08	-23.03
CCN1C=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012058593	0	51	0.0	-29.35	409.09	10.32	-19.03
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=C2CCOC3)C(=O)[O-])=C1	REAL300012058594	0	46	0.0	-28.06	357.14	8.40	-19.66
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1C	REAL300012058595	0	54	0.0	-29.39	413.79	9.73	-19.66
CC1=CN=CC(CC([NH2+]CC2=CC=C3OC(=O)OC3=C2)C(=O)[O-])=C1	REAL300012058596	0	40	0.0	-36.59	338.90	9.02	-27.57
CC1=C(Br)C=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])S1	REAL300012058597	0	38	0.0	-27.73	345.07	8.94	-18.79
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C(=O)[O-])=C1	REAL300012058598	0	48	0.0	-31.68	401.24	12.37	-19.31
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])=C1	REAL300012058599	0	43	0.0	-29.58	343.19	8.53	-21.05
CCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1C	REAL300012058600	0	51	0.0	-31.39	405.39	10.29	-21.10
CC1=CN=CC(CC([NH2+]CC2=CC3=NC=CN=C3C=C2)C(=O)[O-])=C1	REAL300012058601	0	42	0.0	-36.82	348.50	6.93	-29.89
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012058602	0	52	0.0	-34.12	424.67	9.51	-24.61
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058603	0	45	0.0	-27.85	366.48	8.70	-19.15
CC1=CN=CC(CC([NH2+]CC2=C(C)C=CC(Br)=C2F)C(=O)[O-])=C1	REAL300012058604	0	41	0.0	-34.35	354.52	9.70	-24.65
CC1=CN=CC(CC([NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)C(=O)[O-])=C1	REAL300012058605	0	43	0.0	-32.45	350.10	9.63	-22.82
CC1=CN=CC(CC([NH2+]CC2=C(C)C=CC([N+](=O)[O-])=C2C)C(=O)[O-])=C1	REAL300012058606	0	46	0.0	-29.84	371.49	10.09	-19.75
COC1=CC=C(CN2C=C(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])N=N2)C=C1	REAL300012058607	0	51	0.0	-43.99	420.12	8.15	-35.84
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(F)=C1OC	REAL300012058608	0	46	0.0	-36.60	380.50	7.77	-28.83
COC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(F)=C1	REAL300012058609	0	44	0.0	-36.24	371.50	9.08	-27.16
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)C(=O)[O-])=C1	REAL300012058610	0	48	0.0	-30.87	396.94	8.82	-22.05
CC1=CN=CC(CC([NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)C(=O)[O-])=C1	REAL300012058611	0	52	0.0	-32.91	423.73	11.80	-21.11
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OCC(F)F)C(=O)[O-])=C1	REAL300012058612	0	45	0.0	-34.75	375.43	9.06	-25.69
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012058613	0	37	0.0	-34.13	324.18	7.18	-26.95
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058614	0	54	0.0	-29.49	426.42	11.45	-18.04
CC1=CN=CC(CC([NH2+]CC2=C(C)C=C(C#N)C=C2C)C(=O)[O-])=C1	REAL300012058615	0	45	0.0	-32.10	366.15	9.93	-22.17
CC1=CN=CC(CC([NH2+]CC2=CN(CCF)N=C2)C(=O)[O-])=C1	REAL300012058616	0	41	0.0	-32.82	343.39	7.32	-25.50
CCCC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058618	0	47	0.0	-27.80	376.86	10.66	-17.14
CC1=CN=CC(CC([NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)C(=O)[O-])=C1	REAL300012058619	0	44	0.0	-33.09	391.88	9.75	-23.34
COC1=CC=C(C2=NC(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])=CS2)C=C1	REAL300012058620	0	48	0.0	-33.56	404.59	8.54	-25.02
CC1=C2C=C(C[NH2+]C(CC3=CC(C)=CN=C3)C(=O)[O-])C=NC2=NN1	REAL300012058622	0	43	0.0	-42.88	355.52	7.03	-35.85
CC1=CN=CC(CC([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C(=O)[O-])=C1	REAL300012058623	0	46	0.0	-40.45	389.76	5.13	-35.32
CC1=CN=CC(CC([NH2+]CC2=NN(C)C3=CC=CC=C23)C(=O)[O-])=C1	REAL300012058624	0	44	0.0	-28.11	360.25	8.36	-19.75
CC1=CN=CC(CC([NH2+]CC2=C3C=CC=CC3=NN2)C(=O)[O-])=C1	REAL300012058625	0	41	0.0	-31.49	339.37	7.05	-24.44
CC1=CN=CC(CC([NH2+]CC2=NNC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012058625	1	41	0.0	-31.50	337.39	7.07	-24.43
CC1=CN=CC(CC([NH2+]CC2=C(Cl)N=C(Cl)N2C)C(=O)[O-])=C1	REAL300012058626	0	38	0.0	-26.47	345.91	7.72	-18.75
CCC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])S1	REAL300012058627	0	41	0.0	-29.69	343.90	9.12	-20.57
CC1=CN=CC(CC([NH2+]CC2=NC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012058628	0	43	0.0	-30.80	350.21	8.72	-22.08
CC1=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012058629	0	44	0.0	-29.75	359.85	9.44	-20.31
CC1=CN=CC(CC([NH2+]CC(C)(C)CN(C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012058630	0	58	0.0	-27.79	432.90	10.51	-17.28
CCC1=NC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])S1	REAL300012058631	0	40	0.0	-30.98	340.64	7.23	-23.75
COC1=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])SC=C1	REAL300012058632	0	39	0.0	-28.34	332.58	6.85	-21.49
CC1=CN=CC(CC([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C(=O)[O-])=C1	REAL300012058633	0	44	0.0	-31.33	367.34	6.63	-24.70
CC1=CN=CC(CC([NH2+]CC2=CSC=C2Cl)C(=O)[O-])=C1	REAL300012058634	0	35	0.0	-26.52	317.14	7.91	-18.61
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])S1	REAL300012058635	0	43	0.0	-33.71	367.71	7.65	-26.06
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])S1	REAL300012058636	0	49	0.0	-32.03	407.47	8.88	-23.15
CCCC(C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012058637	0	50	0.0	-29.81	389.75	11.08	-18.73
CC1=CN=CC(CC([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C(=O)[O-])=C1	REAL300012058638	0	43	0.0	-25.96	363.03	9.26	-16.70
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(F)(F)F)S2)C(=O)[O-])=C1	REAL300012058639	0	38	0.0	-27.94	342.02	8.71	-19.23
CC1=CN=CC(CC([NH2+]CC2=CC=C(N(C)C)C=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012058640	0	49	0.0	-31.71	393.50	9.93	-21.78
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058641	0	48	0.0	-31.63	394.73	11.07	-20.56
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058642	0	47	0.0	-28.36	402.71	10.04	-18.32
CC1=CN=CC(CC([NH2+]CC2CCC(C(C)C)CC2)C(=O)[O-])=C1	REAL300012058643	0	53	0.0	-27.21	381.05	10.20	-17.01
CC1=CN=CC(CC([NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)C(=O)[O-])=C1	REAL300012058644	0	41	0.0	-25.86	371.07	9.74	-16.12
CC1=CN=CC(CC([NH2+]CC2=CN3C=CC(Br)=CC3=N2)C(=O)[O-])=C1	REAL300012058645	0	41	0.0	-37.10	358.60	9.56	-27.54
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058646	0	49	0.0	-31.61	397.80	9.80	-21.81
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058647	0	52	0.0	-30.17	411.59	10.06	-20.11
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2C2=CC=NN2C)C(=O)[O-])=C1	REAL300012058648	0	48	0.0	-25.16	384.83	9.29	-15.87
CC1=CN=CC(CC([NH2+]CC2=CON=C2CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012058649	0	47	0.0	-31.93	388.01	10.18	-21.75
CC1=CN=CC(CC([NH2+]CC2=C(Cl)N(C)N=C2)C(=O)[O-])=C1	REAL300012058650	0	38	0.0	-29.24	331.08	6.65	-22.59
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=CN=C3O2)C(=O)[O-])=C1	REAL300012058651	0	40	0.0	-38.57	332.95	5.92	-32.65
COC1=CC=C(N2C=C(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])C=N2)C=C1	REAL300012058652	0	49	0.0	-33.79	400.77	9.03	-24.76
CC1=CN=CC(CC([NH2+]CC2=CC=C(N(C)CC3=CC=CS3)C=C2)C(=O)[O-])=C1	REAL300012058653	0	53	0.0	-30.18	432.19	11.86	-18.32
CC1=CN=CC(CC([NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C(=O)[O-])=C1	REAL300012058654	0	40	0.0	-37.05	349.72	6.41	-30.64
CC1=CN=CC(CC([NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C(=O)[O-])=C1	REAL300012058655	0	45	0.0	-34.10	361.68	10.62	-23.48
CC1=CN=CC(CC([NH2+]CC2=CC=NC=C2Br)C(=O)[O-])=C1	REAL300012058656	0	37	0.0	-24.38	321.97	7.21	-17.17
CC1=CN=CC(CC([NH2+]CC2=CC=C(S(C)(=O)=O)S2)C(=O)[O-])=C1	REAL300012058657	0	41	0.0	-34.50	364.24	5.08	-29.42
CC1=CN=CC(CC([NH2+]CC2=CC=NN2C2=CC=CC=N2)C(=O)[O-])=C1	REAL300012058658	0	44	0.0	-27.28	363.34	9.09	-18.19
CC1=CN=CC(CC([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2F)C(=O)[O-])=C1	REAL300012058659	0	43	0.0	-33.52	369.86	3.40	-30.12
CC1=CN=CC(CC([NH2+]CC2=CN=CC(Br)=C2C)C(=O)[O-])=C1	REAL300012058662	0	40	0.0	-28.42	340.11	7.70	-20.72
CC1=CN=CC(CC([NH2+]CC2=C(C(F)(F)F)C=NN2C)C(=O)[O-])=C1	REAL300012058663	0	41	0.0	-24.51	347.82	6.96	-17.55
CC1=CN=CC(CC([NH2+]CC2=C(C3CC3)C=NN2C)C(=O)[O-])=C1	REAL300012058664	0	45	0.0	-27.24	363.15	8.09	-19.15
CC1=CN=CC(CC([NH2+]CC2=C(C3CCC3)C=NN2C)C(=O)[O-])=C1	REAL300012058665	0	48	0.0	-26.62	377.28	8.52	-18.10
CC1=CN=CC(CC([NH2+]CC2=CC3=C(C)C=CC=C3N2)C(=O)[O-])=C1	REAL300012058666	0	45	0.0	-29.18	364.00	8.98	-20.20
CC1=CN=CC(CC([NH2+]CC2=CC=NN2C2=CC=NC=C2)C(=O)[O-])=C1	REAL300012058667	0	44	0.0	-28.38	363.70	7.57	-20.81
CC1=CC=C2C=C(C[NH2+]C(CC3=CC(C)=CN=C3)C(=O)[O-])NC2=C1	REAL300012058668	0	45	0.0	-29.66	365.74	9.04	-20.62
CCOC1=CN=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058669	0	44	0.0	-30.95	358.77	6.85	-24.10
CC1=CN=CC(CC([NH2+]CC2=CC=NC=C2Cl)C(=O)[O-])=C1	REAL300012058670	0	37	0.0	-24.96	318.37	7.11	-17.85
CC1=CN=CC(CC([NH2+]CC2=CC=NN2C2CCOCC2)C(=O)[O-])=C1	REAL300012058671	0	49	0.0	-30.11	386.82	7.01	-23.10
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=NNC=C32)C(=O)[O-])=C1	REAL300012058672	0	41	0.0	-30.27	336.53	7.07	-23.20
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058673	0	46	0.0	-31.49	350.63	8.78	-22.71
CC1=CN=CC(CC([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])=C1	REAL300012058674	0	42	0.0	-29.49	342.52	8.43	-21.06
CC1=CN=CC(CC([NH2+]CC2=CC3=C(C=CNC3=O)O2)C(=O)[O-])=C1	REAL300012058675	1	41	0.0	-38.51	342.91	5.92	-32.59
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(F)F)N=C2)C(=O)[O-])=C1	REAL300012058676	0	40	0.0	-31.72	341.90	7.52	-24.20
CC1=CN=CC(CC([NH2+]CC2=CC(C#N)=CC=C2N(C)C)C(=O)[O-])=C1	REAL300012058677	0	47	0.0	-30.67	385.64	8.84	-21.83
CC1=CN=CC(CC([NH2+]CC2=CN(CC3CCOC3)N=N2)C(=O)[O-])=C1	REAL300012058678	0	48	0.0	-42.73	386.92	5.96	-36.77
COC1=CN=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1C	REAL300012058679	0	44	0.0	-29.11	350.14	6.51	-22.60
CC1=CN=CC(CC([NH2+]CC=CC2=C(C)C=C(C)C=C2C)C(=O)[O-])=C1	REAL300012058680	0	51	0.0	-30.27	402.46	11.57	-18.70
CC1=CN=CC(CC([NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)C(=O)[O-])=C1	REAL300012058681	0	58	0.0	-32.38	451.16	7.34	-25.04
CC1=CN=CC(CC([NH2+]CC(CC(F)F)NC(=O)OC(C)(C)C)C(=O)[O-])=C1	REAL300012058682	0	54	0.0	-32.99	417.71	7.22	-25.77
CC1=CN=CC(CC([NH2+]CC2=CN(CC3CCCO3)N=N2)C(=O)[O-])=C1	REAL300012058683	0	48	0.0	-31.06	387.45	6.03	-25.03
CCCN1C=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])N=N1	REAL300012058684	0	43	0.0	-38.65	350.01	6.54	-32.11
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC=C2N(C)C)C(=O)[O-])=C1	REAL300012058685	0	46	0.0	-26.95	370.10	8.52	-18.43
CC1=CN=CC(CC([NH2+]CC2=CN(C3CC3)C=N2)C(=O)[O-])=C1	REAL300012058686	0	42	0.0	-35.13	343.83	9.16	-25.97
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C(=O)[O-])=C1	REAL300012058687	0	43	0.0	-34.21	357.72	8.87	-25.34
CC1=CN=CC(CC([NH2+]CC=CC2=CC(C)=C(C)C=C2C)C(=O)[O-])=C1	REAL300012058688	0	51	0.0	-30.78	399.40	11.46	-19.32
CC1=CN=CC(CC([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C(=O)[O-])=C1	REAL300012058689	0	43	0.0	-36.20	365.39	3.35	-32.85
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3CC3)O2)C(=O)[O-])=C1	REAL300012058690	1	41	0.0	-28.28	339.84	5.71	-22.57
CC1=CN=CC(CC([NH2+]CC2=NC=CC3=C2CCCC3)C(=O)[O-])=C1	REAL300012058691	0	47	0.0	-30.91	363.27	8.94	-21.97
CC1=NN(C)C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])=C1Cl	REAL300012058692	0	41	0.0	-31.93	351.57	7.16	-24.77
CC1=CN=CC(CC([NH2+]CC2=CSC(C3=NN(C)C=C3)=N2)C(=O)[O-])=C1	REAL300012058693	0	44	0.0	-30.57	380.73	6.88	-23.69
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C2CCCC2)C(=O)[O-])=C1	REAL300012058694	0	51	0.0	-30.32	397.49	9.24	-21.08
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C)=C2Br)C(=O)[O-])=C1	REAL300012058695	0	41	0.0	-25.90	346.97	9.62	-16.28
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C(=O)[O-])=C1	REAL300012058696	0	49	0.0	-32.49	405.43	11.36	-21.13
CC1=CN=CC(CC([NH2+]CC2=CC=C3OCCCC3=C2)C(=O)[O-])=C1	REAL300012058697	0	46	0.0	-29.94	366.18	9.07	-20.87
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C(=O)N(C)C)=C2)C(=O)[O-])=C1	REAL300012058698	0	48	0.0	-32.44	382.13	8.29	-24.15
CCC1=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(Cl)=NN1	REAL300012058699	0	41	0.0	-32.36	348.37	6.55	-25.81
CC1=CN=CC(CC([NH2+]CC2=C(C3CC3)NN=C2Cl)C(=O)[O-])=C1	REAL300012058700	0	42	0.0	-24.80	357.53	7.35	-17.45
CCC1=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(C)=NO1	REAL300012058701	0	43	0.0	-29.05	347.15	8.11	-20.94
CC1=CN=CC(CC([NH2+]CC2=CC(C)=NC3=C2CCCC3)C(=O)[O-])=C1	REAL300012058702	0	50	0.0	-29.66	382.90	9.62	-20.04
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2N2CCCCC2)C(=O)[O-])=C1	REAL300012058703	0	53	0.0	-25.35	396.48	10.08	-15.27
CCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])O1	REAL300012058704	1	42	0.0	-32.78	348.07	8.03	-24.75
CC1=CN=CC(CC([NH2+]CC2=CSC(C(F)(F)F)=N2)C(=O)[O-])=C1	REAL300012058705	0	37	0.0	-36.58	335.95	6.54	-30.04
CC1=CN=CC(CC([NH2+]CC2=CN=C(F)C(C)=C2)C(=O)[O-])=C1	REAL300012058706	0	40	0.0	-33.89	334.12	7.22	-26.67
CC1=CN=CC(CC([NH2+]CC2=CN=C(F)C=C2C)C(=O)[O-])=C1	REAL300012058707	0	40	0.0	-29.11	324.07	7.06	-22.05
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(F)F)C(F)=C2)C(=O)[O-])=C1	REAL300012058708	0	41	0.0	-32.90	351.66	9.47	-23.43
COC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1C	REAL300012058709	0	47	0.0	-33.88	383.29	9.71	-24.17
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(C)=C1	REAL300012058710	0	45	0.0	-27.58	351.73	8.21	-19.37
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C(C)=C2Cl)C(=O)[O-])=C1	REAL300012058711	0	41	0.0	-28.80	356.95	9.89	-18.91
CC1=CN=CC(CC([NH2+]CC2=CC(C#N)=CC=C2Br)C(=O)[O-])=C1	REAL300012058712	0	39	0.0	-28.83	348.68	9.41	-19.42
CC1=CN=CC(CC([NH2+]CC2=CC=C3OC(C)CC3=C2)C(=O)[O-])=C1	REAL300012058713	0	46	0.0	-30.07	369.37	9.02	-21.05
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=C2OC(=O)N3)C(=O)[O-])=C1	REAL300012058714	0	41	0.0	-33.21	344.23	6.00	-27.21
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=C2OCC3)C(=O)[O-])=C1	REAL300012058715	0	43	0.0	-30.31	346.89	8.23	-22.08
CSCC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058716	0	45	0.0	-31.96	378.59	10.41	-21.55
CC1=CN=CC(CC([NH2+]CC2=CN(CC3CCC3)N=C2)C(=O)[O-])=C1	REAL300012058717	0	48	0.0	-30.33	382.55	9.18	-21.15
CC1=CN=CC(CC([NH2+]CC2=C3COCCC3=NN2C)C(=O)[O-])=C1	REAL300012058718	0	46	0.0	-28.97	365.51	5.97	-23.00
CC1=CN=CC(CC([NH2+]CC2=C3CCCC3=NN2C)C(=O)[O-])=C1	REAL300012058719	0	45	0.0	-31.69	358.36	7.96	-23.73
CC1=CN=CC(CC([NH2+]CC2=CC=NN2C2CCC2)C(=O)[O-])=C1	REAL300012058720	0	45	0.0	-28.68	359.94	8.19	-20.49
CC1=CN=CC(CC([NH2+]CC2=CN(C3CCC3)N=C2)C(=O)[O-])=C1	REAL300012058721	0	45	0.0	-28.74	359.28	8.19	-20.55
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058722	0	51	0.0	-36.50	413.40	9.95	-26.55
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058723	0	48	0.0	-36.10	395.35	9.36	-26.74
COC1=CC=C(C)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058724	0	45	0.0	-26.68	353.41	8.26	-18.42
CC1=CN=CC(CC([NH2+]CC2=C3C(=CC=C2)N=CN3C)C(=O)[O-])=C1	REAL300012058725	0	44	0.0	-30.14	347.97	9.51	-20.63
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(=O)N(C)C)C=C2)C(=O)[O-])=C1	REAL300012058726	0	48	0.0	-34.88	381.00	8.30	-26.58
CC1=CC(CC([NH2+]CC2=CC(C)=CC(F)=C2)C(=O)[O-])=CN=C1	REAL300012058727	0	41	0.0	-28.27	340.30	9.18	-19.09
CC1=CN=CC(CC([NH2+]CC2=CC=C(C)C(C)=C2C)C(=O)[O-])=C1	REAL300012058728	0	47	0.0	-25.62	357.01	10.00	-15.62
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058729	0	48	0.0	-35.90	390.41	7.64	-28.26
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2C(C)(C)C)C(=O)[O-])=C1	REAL300012058730	0	50	0.0	-22.75	363.34	10.61	-12.14
CC1=CN=CC(CC([NH2+]CC2=CN=C3CCCCCN23)C(=O)[O-])=C1	REAL300012058731	0	48	0.0	-28.60	366.32	8.83	-19.77
COC1=CC=C2SC(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])=CC2=C1	REAL300012058732	0	45	0.0	-29.10	379.42	9.26	-19.84
CC1=CN=CC(CC([NH2+]CC2=CON=C2C2CC2)C(=O)[O-])=C1	REAL300012058733	0	41	0.0	-30.27	338.45	8.04	-22.23
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058734	0	54	0.0	-34.46	421.30	10.17	-24.29
CCN1CCC2=CC(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])=CC=C21	REAL300012058735	0	50	0.0	-28.36	390.46	9.02	-19.34
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058736	0	51	0.0	-35.86	405.32	9.38	-26.48
CC1=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])C=NN1C(C)C	REAL300012058737	0	47	0.0	-27.73	373.73	8.16	-19.57
CSC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1Cl	REAL300012058738	0	42	0.0	-30.41	365.53	9.91	-20.50
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3CC3)C(C)=C2)C(=O)[O-])=C1	REAL300012058739	0	48	0.0	-30.14	379.48	11.14	-19.00
CCOC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=N1	REAL300012058740	0	44	0.0	-29.82	361.39	6.09	-23.73
CC1=CN=CC(CC([NH2+]CC2=CC=C(C)C(C3CC3)=C2)C(=O)[O-])=C1	REAL300012058741	0	48	0.0	-27.46	378.91	11.07	-16.39
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CC(C)=CN=C3)C(=O)[O-])C(C)=C2)C=C1	REAL300012058742	0	51	0.0	-32.99	403.92	10.63	-22.36
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012058743	0	44	0.0	-32.75	383.66	10.39	-22.36
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3C=C(Cl)C=N3)C=C2C)C(=O)[O-])=C1	REAL300012058744	0	48	0.0	-31.55	397.81	10.58	-20.97
CCC1=CC(Br)=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])S1	REAL300012058745	0	41	0.0	-25.31	364.03	9.63	-15.68
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CC(C)=CN=C3)C(=O)[O-])C=C2)C=C1Cl	REAL300012058746	0	48	0.0	-32.20	409.39	10.73	-21.47
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])O2)N1	REAL300012058747	0	45	0.0	-37.86	378.89	7.23	-30.63
COCCOC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])O1	REAL300012058748	1	46	0.0	-29.64	381.68	7.20	-22.44
CC1=CN=CC(CC([NH2+]CC(C)(C)C2=CC=C(Br)C=C2)C(=O)[O-])=C1	REAL300012058749	0	47	0.0	-29.70	380.48	10.74	-18.96
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058750	0	50	0.0	-29.25	395.90	8.84	-20.41
CC1=CN=CC(CC([NH2+]CC2=NN(CCF)C=C2)C(=O)[O-])=C1	REAL300012058751	0	41	0.0	-34.66	343.45	7.22	-27.44
CCN1C=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(C)=N1	REAL300012058752	0	44	0.0	-30.90	354.44	7.63	-23.27
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=CC(Br)=C2)C(=O)[O-])=C1	REAL300012058753	0	38	0.0	-31.27	350.48	9.63	-21.64
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])C(C)=C1	REAL300012058754	0	54	0.0	-26.20	419.83	12.79	-13.41
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C2CC2)C(=O)[O-])=C1	REAL300012058755	0	45	0.0	-29.75	365.18	8.42	-21.33
COC1=CC=CC(C2=CSC(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])=N2)=C1	REAL300012058756	1	48	0.0	-32.94	405.05	8.50	-24.44
CC1=CN=CC(CC([NH2+]CC2=CC=C(CNC(=O)OC(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012058757	0	58	0.0	-32.02	459.06	8.86	-23.16
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058758	0	50	0.0	-32.59	403.72	7.79	-24.80
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)C(=O)[O-])=C1	REAL300012058759	0	55	0.0	-37.14	425.98	10.33	-26.81
CC1=CN=CC(CC([NH2+]CC2=CC(C3CC3)=NN2C)C(=O)[O-])=C1	REAL300012058760	0	45	0.0	-30.70	364.80	8.10	-22.60
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3C=CN=C3)C=C2C)C(=O)[O-])=C1	REAL300012058761	0	48	0.0	-31.81	379.60	11.23	-20.58
CC1=CN=CC(CC([NH2+]CC2=CON=C2C(C)C)C(=O)[O-])=C1	REAL300012058762	0	43	0.0	-31.02	348.48	7.66	-23.36
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)C(=O)[O-])=C1	REAL300012058763	0	42	0.0	-31.73	363.37	7.75	-23.98
CC1=CN=CC(CC([NH2+]CC2=CN=C(C3CCOCC3)O2)C(=O)[O-])=C1	REAL300012058764	1	48	0.0	-29.66	383.43	4.85	-24.81
COC1=NC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1F	REAL300012058765	0	41	0.0	-35.37	343.84	5.15	-30.22
CC1=CN=CC(CC([NH2+]CC2=C(Cl)C=CC=C2Br)C(=O)[O-])=C1	REAL300012058766	0	38	0.0	-24.72	344.61	9.34	-15.38
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C(Br)=C2F)C(=O)[O-])=C1	REAL300012058767	0	38	0.0	-27.53	343.32	9.15	-18.38
CC1=CN=CC(CC([NH2+]CC2=CN3C=CN=C3S2)C(=O)[O-])=C1	REAL300012058768	0	38	0.0	-32.61	329.86	8.39	-24.22
CC1=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012058769	0	50	0.0	-25.88	395.12	9.96	-15.92
CC1=C(C)SC(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])=N1	REAL300012058770	1	40	0.0	-27.09	335.77	6.89	-20.20
CC1=CN=CC(CC([NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)C(=O)[O-])=C1	REAL300012058771	0	47	0.0	-40.52	388.46	8.78	-31.74
CC1=CN=CC(CC([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)[O-])=C1	REAL300012058772	0	58	0.0	-40.37	434.85	9.51	-30.86
CC1=CN=CC(CC([NH2+]CC2=NC=C(Br)C=C2C)C(=O)[O-])=C1	REAL300012058773	0	40	0.0	-31.52	342.86	7.76	-23.76
CC1=CN=CC(CC([NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)C(=O)[O-])=C1	REAL300012058774	0	44	0.0	-34.06	384.19	6.36	-27.70
CC1=CN=CC(CC([NH2+]CC2=CC=C3OC(C)C(C)C3=C2)C(=O)[O-])=C1	REAL300012058775	0	49	0.0	-29.84	384.56	9.50	-20.34
CC1=CN=CC(CC([NH2+]CC2=CC=C(C)C(OC(F)F)=C2)C(=O)[O-])=C1	REAL300012058776	0	45	0.0	-34.55	371.79	8.84	-25.71
CC1=CN=CC(CC([NH2+]CC2=CC(Br)=C(C)N=C2Cl)C(=O)[O-])=C1	REAL300012058777	0	40	0.0	-24.96	359.14	8.20	-16.76
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2CC(C)C)C(=O)[O-])=C1	REAL300012058778	0	50	0.0	-25.26	379.07	10.73	-14.53
CC1=CN=CC(CC([NH2+]CC2=C(S(C)(=O)=O)N(C)N=C2)C(=O)[O-])=C1	REAL300012058779	0	44	0.0	-38.55	354.81	3.51	-35.04
CC1=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012058780	0	41	0.0	-30.95	348.53	6.25	-24.70
CC1=CN=CC(CC([NH2+]CC2=CN(CC(C)C)N=N2)C(=O)[O-])=C1	REAL300012058781	0	46	0.0	-39.53	371.97	7.38	-32.15
CC1=CN=CC(CC([NH2+]CC2=NC(C3CC3)=CS2)C(=O)[O-])=C1	REAL300012058782	1	41	0.0	-27.81	348.29	7.74	-20.07
CC1=CN=CC(CC([NH2+]CC2=CC(C(F)(F)F)=NN2)C(=O)[O-])=C1	REAL300012058783	0	38	0.0	-33.09	333.54	5.77	-27.32
CC1=CN=CC(CC([NH2+]CC2=CC=C3CCOC3=C2)C(=O)[O-])=C1	REAL300012058784	0	43	0.0	-31.96	348.33	8.29	-23.67
CC1=CN=CC(CC([NH2+]CC2=NN(C)C=C2Cl)C(=O)[O-])=C1	REAL300012058785	0	38	0.0	-31.34	331.90	6.72	-24.62
CC1=CN=CC(CC([NH2+]CC2=C(S(C)(=O)=O)SC=C2)C(=O)[O-])=C1	REAL300012058786	0	41	0.0	-42.02	356.21	5.28	-36.74
CSC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058787	0	42	0.0	-29.67	352.67	9.53	-20.14
CC1=CN=CC(CC([NH2+]CC2=C(C(C)C)C=NN2C)C(=O)[O-])=C1	REAL300012058788	0	47	0.0	-26.66	372.34	7.86	-18.80
CC1=C(Br)C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])=C(C)S1	REAL300012058789	0	41	0.0	-28.10	358.86	9.39	-18.71
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300012058790	0	48	0.0	-27.34	396.53	9.63	-17.71
CCCN1C=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(C)=N1	REAL300012058791	0	47	0.0	-30.53	375.94	8.39	-22.14
CC1=CN=CC(CC([NH2+]CC2=CC3=NC=CC=C3O2)C(=O)[O-])=C1	REAL300012058792	0	40	0.0	-35.16	335.09	7.23	-27.93
CC1=CN=CC(CC([NH2+]CC2=CC=C(CC3CC3)S2)C(=O)[O-])=C1	REAL300012058793	0	45	0.0	-30.70	377.65	10.77	-19.93
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC3CC3)C=C2)C(=O)[O-])=C1	REAL300012058794	0	46	0.0	-31.97	371.68	9.45	-22.52
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C(=O)[O-])=C1	REAL300012058795	0	42	0.0	-27.56	361.86	8.24	-19.32
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012058796	0	44	0.0	-30.92	383.66	10.39	-20.53
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])C(C)=C1	REAL300012058797	0	51	0.0	-32.76	405.80	11.43	-21.33
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=CC(C)=CN=C3)C(=O)[O-])C=C2)C=N1	REAL300012058798	0	51	0.0	-34.79	410.22	12.05	-22.74
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058799	0	45	0.0	-33.62	366.78	6.71	-26.91
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C(=O)[O-])=C1	REAL300012058800	0	52	0.0	-27.55	407.44	12.47	-15.08
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058802	0	48	0.0	-33.04	388.26	7.55	-25.49
CC1=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012058803	0	44	0.0	-32.29	364.13	9.63	-22.66
CC1=CN=CC(CC([NH2+]CC2=CC(C3CCC3)=NN2)C(=O)[O-])=C1	REAL300012058804	0	45	0.0	-29.95	358.27	7.30	-22.65
CC1=CN=CC(CC([NH2+]CC2=CC(C3=CC=CC=C3)=NN2C)C(=O)[O-])=C1	REAL300012058805	0	48	0.0	-32.22	392.53	9.65	-22.57
CCCN1C=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=N1	REAL300012058806	0	44	0.0	-33.11	356.20	7.77	-25.34
CC1=CN=CC(CC([NH2+]CC2=NN(C(C)C)C=C2)C(=O)[O-])=C1	REAL300012058807	0	44	0.0	-33.45	355.55	7.61	-25.84
CC1=CN=CC(CC([NH2+]CC2=CN=CC(C(C)(C)C)=C2)C(=O)[O-])=C1	REAL300012058808	0	49	0.0	-29.98	383.88	8.93	-21.05
CC1=CN=CC(CC([NH2+]CC2=NN(CC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012058809	0	41	0.0	-38.37	352.58	7.50	-30.87
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)C(=O)[O-])=C1	REAL300012058810	0	48	0.0	-26.21	384.23	10.47	-15.74
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058812	0	41	0.0	-32.65	355.12	5.64	-27.01
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012058813	0	41	0.0	-35.42	342.96	7.03	-28.39
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C(F)F)=C2F)C(=O)[O-])=C1	REAL300012058814	0	41	0.0	-27.74	346.14	9.30	-18.44
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=C2COCC3)C(=O)[O-])=C1	REAL300012058815	0	46	0.0	-29.19	357.01	8.42	-20.77
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058816	0	45	0.0	-27.66	377.89	9.21	-18.45
COC1=NN(C)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058817	0	42	0.0	-34.65	346.87	4.14	-30.51
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300012058819	0	45	0.0	-30.60	374.66	8.35	-22.25
CC1=CN=CC(CC([NH2+]CC2=CC3=C(CCCC3)O2)C(=O)[O-])=C1	REAL300012058820	1	45	0.0	-30.94	354.58	9.26	-21.68
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C(=O)[O-])=C1	REAL300012058821	0	40	0.0	-34.77	345.76	9.22	-25.55
CC1=CN=CC(CC([NH2+]CC2=CN(C3CCCCC3)N=C2)C(=O)[O-])=C1	REAL300012058822	0	51	0.0	-33.33	397.11	9.57	-23.76
CC1=CN=CC(CC([NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)C(=O)[O-])=C1	REAL300012058823	0	45	0.0	-29.93	386.33	10.00	-19.93
CC1=CN=CC(CC([NH2+]CC2=C(F)C=C(Br)C=C2F)C(=O)[O-])=C1	REAL300012058824	0	38	0.0	-28.84	343.05	9.13	-19.71
CC1=CN=CC(CC([NH2+]CC2=CC=C(N(C)CCO)N=C2)C(=O)[O-])=C1	REAL300012058825	0	49	0.0	-31.48	392.06	6.01	-25.47
COC1=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012058826	0	54	0.0	-25.44	403.99	10.16	-15.28
CC1=CN=CC(CC([NH2+]CC2=NC(Br)=CN2C)C(=O)[O-])=C1	REAL300012058827	0	38	0.0	-37.34	334.67	7.39	-29.95
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=N1	REAL300012058828	0	44	0.0	-28.63	351.64	5.67	-22.96
COC1=CC(C)=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1O	REAL300012058829	0	46	0.0	-33.87	367.48	6.25	-27.62
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C(=O)[O-])=C1	REAL300012058830	0	44	0.0	-28.36	367.92	7.51	-20.85
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=CC=C3N(C)C2=O)C(=O)[O-])=C1	REAL300012058831	0	47	0.0	-28.28	378.96	9.21	-19.07
COC1=NC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1C	REAL300012058832	0	44	0.0	-34.35	359.76	5.90	-28.45
CCCN1C=NC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058833	0	44	0.0	-28.80	350.73	9.42	-19.38
CC1=CN=CC(CC([NH2+]CC2=C(C)C=C(C)C(Br)=C2C)C(=O)[O-])=C1	REAL300012058834	0	47	0.0	-26.20	378.77	10.55	-15.65
CC1=CN=CC(CC([NH2+]CC=CC2=CC=C3OCOC3=C2)C(=O)[O-])=C1	REAL300012058835	0	45	0.0	-36.05	367.41	8.39	-27.66
CC1=CN=CC(CC([NH2+]CC2=CC=C(CC3CCC3)C=C2)C(=O)[O-])=C1	REAL300012058836	0	51	0.0	-27.89	403.60	11.96	-15.93
CCC1=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=NN1CC	REAL300012058837	0	47	0.0	-31.63	368.77	8.28	-23.35
CC1=CN=CC(CC([NH2+]CC2=C(F)C=CC(Cl)=C2F)C(=O)[O-])=C1	REAL300012058838	0	38	0.0	-31.24	337.93	9.02	-22.22
CC1=CN=CC(CC([NH2+]CC2=CC=CC(NC(=O)OC(C)(C)C)=C2)C(=O)[O-])=C1	REAL300012058839	0	55	0.0	-34.03	432.11	8.69	-25.34
CC1=CN=CC(CC([NH2+]CC2=CC(C3CC3)=NN2)C(=O)[O-])=C1	REAL300012058840	0	42	0.0	-30.24	342.74	6.85	-23.39
CC1=CN=CC(CC([NH2+]CC2=CC=NN2C2CC2(F)F)C(=O)[O-])=C1	REAL300012058841	0	42	0.0	-34.12	356.16	8.06	-26.06
COC1=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=CS1	REAL300012058842	0	39	0.0	-28.72	334.02	6.86	-21.86
CC1=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012058843	0	41	0.0	-34.21	351.80	8.32	-25.89
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C(C)(F)F)=C2)C(=O)[O-])=C1	REAL300012058844	0	44	0.0	-29.22	363.51	9.96	-19.26
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C(=O)[O-])=C1	REAL300012058845	0	44	0.0	-30.17	374.09	9.18	-20.99
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C2=CN(C)N=C2)C(=O)[O-])=C1	REAL300012058846	0	45	0.0	-32.37	372.41	6.19	-26.18
CCCN1N=C(C)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1Cl	REAL300012058847	0	47	0.0	-27.72	393.91	8.78	-18.94
CC1=CN=CC(CC([NH2+]CC2=CN=C(C(C)(C)C#N)S2)C(=O)[O-])=C1	REAL300012058848	0	44	0.0	-29.45	379.13	7.77	-21.68
COC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058849	0	42	0.0	-32.59	366.51	8.51	-24.08
CC1=CN=CC(CC([NH2+]CC2=C(F)C=C(C#N)C=C2Br)C(=O)[O-])=C1	REAL300012058850	0	39	0.0	-29.37	356.67	9.34	-20.03
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC(F)=C2F)C(=O)[O-])=C1	REAL300012058851	0	38	0.0	-26.93	329.69	8.63	-18.30
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C(=O)[O-])=C1	REAL300012058852	0	45	0.0	-29.58	378.05	10.87	-18.71
CC1=CN=CC(CC([NH2+]CC2=CC(C(C)(C)C)=NN2)C(=O)[O-])=C1	REAL300012058853	0	47	0.0	-31.57	374.44	7.34	-24.23
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C(=O)[O-])=C1	REAL300012058854	0	44	0.0	-28.44	364.76	10.92	-17.52
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OC2CCCCC2)C(=O)[O-])=C1	REAL300012058855	0	55	0.0	-26.69	420.50	11.28	-15.41
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C(=O)[O-])=C1	REAL300012058856	0	49	0.0	-32.77	417.88	11.88	-20.89
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058857	0	45	0.0	-26.75	356.59	10.22	-16.53
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2COC2CCCCC2)C(=O)[O-])=C1	REAL300012058858	0	58	0.0	-26.25	439.84	11.88	-14.37
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])C=C2)=C1	REAL300012058859	0	53	0.0	-35.79	430.65	10.67	-25.12
CCN1CCCC2=CC(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])=CC=C21	REAL300012058860	0	53	0.0	-27.78	400.10	9.41	-18.37
COCC1=CN=C(OC)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058861	0	48	0.0	-25.96	391.05	4.94	-21.02
CC1=CN=CC(CC([NH2+]CC2=C(Br)N(C)N=C2)C(=O)[O-])=C1	REAL300012058862	0	38	0.0	-28.78	335.18	6.72	-22.06
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058863	0	53	0.0	-33.29	429.60	11.22	-22.07
CC1=CN=CC(CC([NH2+]CC2=CN=NN2C2CC2)C(=O)[O-])=C1	REAL300012058864	0	41	0.0	-31.93	338.96	6.54	-25.39
COC1=C(Br)C=CC(F)=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058865	0	42	0.0	-28.52	367.71	8.57	-19.95
COCC1=CC=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058866	0	45	0.0	-27.43	358.35	8.28	-19.15
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)C(=O)[O-])=C1	REAL300012058867	0	51	0.0	-27.57	420.79	13.13	-14.44
CC1=CN=CC(CC([NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C(=O)[O-])=C1	REAL300012058868	0	42	0.0	-31.09	368.86	9.97	-21.12
CC1=CN=CC(CC([NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)C(=O)[O-])=C1	REAL300012058869	0	51	0.0	-32.98	405.66	9.19	-23.79
CC1=CN=CC(CC([NH2+]CC2=CC=C3CCOCC3=C2)C(=O)[O-])=C1	REAL300012058870	0	46	0.0	-28.94	364.87	8.48	-20.46
CC1=CN=CC(CC([NH2+]CC2=CN(CCO)N=C2)C(=O)[O-])=C1	REAL300012058871	0	42	0.0	-33.39	348.22	3.82	-29.57
CC1=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012058872	0	44	0.0	-25.86	371.05	10.49	-15.37
CC1=CN=CC(CC([NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C(=O)[O-])=C1	REAL300012058873	0	44	0.0	-33.56	367.10	6.61	-26.95
COC1=CC=C(F)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1OC	REAL300012058874	0	46	0.0	-29.17	376.49	7.80	-21.37
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C2=NN(C)C=C2)C(=O)[O-])=C1	REAL300012058875	0	45	0.0	-32.12	366.28	6.64	-25.48
CC1=CN=CC(CC([NH2+]CC2=C(F)C=CC(C)=C2Br)C(=O)[O-])=C1	REAL300012058876	0	41	0.0	-24.41	349.61	9.39	-15.02
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OCCC2CCCCC2)C(=O)[O-])=C1	REAL300012058877	0	61	0.0	-28.68	464.67	12.74	-15.94
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OCC3CCC3)=C2)C(=O)[O-])=C1	REAL300012058878	0	52	0.0	-29.63	412.06	10.87	-18.76
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2C(C)(F)F)C(=O)[O-])=C1	REAL300012058879	0	44	0.0	-31.86	353.01	9.96	-21.90
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC=C1OCCO	REAL300012058880	0	50	0.0	-36.03	402.28	5.48	-30.55
CCN1C=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012058881	0	48	0.0	-29.16	387.00	9.25	-19.91
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1OCCO	REAL300012058882	0	50	0.0	-37.34	404.43	5.55	-31.79
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C2=CC=NN2C)C(=O)[O-])=C1	REAL300012058883	0	48	0.0	-34.91	395.63	7.38	-27.53
CC1=CN=CC(CC([NH2+]CC2=CON=C2C(C)(C)C)C(=O)[O-])=C1	REAL300012058884	0	46	0.0	-36.47	358.80	8.23	-28.24
CC1=CN=CC(CC([NH2+]CC2=CC3=CN=CC=C3C=C2)C(=O)[O-])=C1	REAL300012058885	0	43	0.0	-31.69	352.16	8.88	-22.81
CC1=CC2=CC=CC(C[NH2+]C(CC3=CC(C)=CN=C3)C(=O)[O-])=C2O1	REAL300012058886	0	44	0.0	-31.46	360.39	9.55	-21.91
CC1=CN=CC(CC([NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012058887	0	41	0.0	-40.00	344.12	9.52	-30.48
CC1=CN=CC(CC([NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)C(=O)[O-])=C1	REAL300012058888	0	45	0.0	-30.78	386.06	9.16	-21.62
COC1=CSC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1OC	REAL300012058889	0	43	0.0	-28.79	363.91	6.44	-22.35
CC1=CN=CC(CC([NH2+]CC2=CON=C2C2CCC2)C(=O)[O-])=C1	REAL300012058890	0	44	0.0	-31.15	357.18	8.59	-22.56
CC1=CN=CC(CC([NH2+]CC2=C(Br)C=CC3=C2OCO3)C(=O)[O-])=C1	REAL300012058891	0	41	0.0	-28.48	355.13	7.63	-20.85
CC1=CN=CC(CC([NH2+]CC2=C(S(C)(=O)=O)C=CS2)C(=O)[O-])=C1	REAL300012058892	0	41	0.0	-30.12	354.58	5.07	-25.05
CC1=CN=CC(CC([NH2+]CC2=CC(S(C)(=O)=O)=CO2)C(=O)[O-])=C1	REAL300012058893	0	41	0.0	-38.11	354.12	4.03	-34.08
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C(=O)[O-])=C1	REAL300012058894	0	41	0.0	-28.21	354.61	9.46	-18.75
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC(C)C)C(F)=C2)C(=O)[O-])=C1	REAL300012058895	0	48	0.0	-31.51	385.83	9.37	-22.14
CCN1C=C(Cl)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=N1	REAL300012058896	0	41	0.0	-31.19	353.44	7.58	-23.61
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C(Cl)=C2F)C(=O)[O-])=C1	REAL300012058897	0	38	0.0	-26.96	337.74	9.00	-17.96
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C(F)F)=C2)C(=O)[O-])=C1	REAL300012058898	0	41	0.0	-29.57	342.49	9.30	-20.27
CC1=CN=CC(CC([NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300012058899	0	44	0.0	-28.07	363.00	10.76	-17.31
CC1=CN=CC(CC([NH2+]CC2=CC(S(C)(=O)=O)=CS2)C(=O)[O-])=C1	REAL300012058900	0	41	0.0	-35.26	363.39	5.00	-30.26
CC1=CN=CC(CC([NH2+]CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012058901	0	35	0.0	-29.31	318.16	8.04	-21.27
CC1=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012058902	0	48	0.0	-33.49	380.19	8.98	-24.51
CC1=CN=CC(CC([NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)C(=O)[O-])=C1	REAL300012058903	0	45	0.0	-32.90	385.86	10.16	-22.74
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])=C1	REAL300012058904	0	51	0.0	-29.11	400.56	9.52	-19.59
CC1=CN=CC(CC([NH2+]CC2=CC=NN2CC(F)F)C(=O)[O-])=C1	REAL300012058905	0	41	0.0	-30.46	340.54	7.10	-23.36
CC1=CN=CC(CC([NH2+]CC2=CC([N+](=O)[O-])=CC=C2N(C)C)C(=O)[O-])=C1	REAL300012058906	0	48	0.0	-29.49	391.85	9.07	-20.42
CC1=CN=CC(CC([NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012058907	0	41	0.0	-39.89	354.01	10.00	-29.89
CC1=CN=CC(CC([NH2+]CC2=C(F)C=CN=C2Cl)C(=O)[O-])=C1	REAL300012058908	0	37	0.0	-27.34	325.68	7.00	-20.34
CC1=CN=CC(CC([NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C(=O)[O-])=C1	REAL300012058909	0	45	0.0	-34.24	377.70	9.80	-24.44
CC1=CN=CC(CC([NH2+]CC2=C(F)C=NC=C2N(C)C)C(=O)[O-])=C1	REAL300012058910	0	45	0.0	-25.04	364.99	6.49	-18.55
COC1=NC(C)=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(C)=C1Cl	REAL300012058911	0	47	0.0	-29.71	383.45	6.66	-23.05
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058912	0	47	0.0	-28.38	385.23	8.77	-19.61
CC1=CN=CC(CC([NH2+]CC2=NN(C3CCC3)C=C2)C(=O)[O-])=C1	REAL300012058913	0	45	0.0	-33.40	360.68	8.19	-25.21
CC1=CN=CC(CC([NH2+]CC2=NN(CC(F)F)C=C2)C(=O)[O-])=C1	REAL300012058914	0	41	0.0	-38.19	348.71	7.41	-30.78
CC1=CN=CC(CC([NH2+]CC2=NN(C3CC3(F)F)C=C2)C(=O)[O-])=C1	REAL300012058915	0	42	0.0	-37.54	358.38	7.95	-29.59
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058916	0	54	0.0	-29.27	414.75	10.03	-19.24
CC1=CN=CC(CC([NH2+]CC2=CN(C3CCOCC3)N=C2)C(=O)[O-])=C1	REAL300012058917	0	49	0.0	-32.84	385.73	7.09	-25.75
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058918	0	52	0.0	-30.64	407.49	7.67	-22.97
CC1=CN=CC(CC([NH2+]CC2=NN(C3CCCC3)C=C2)C(=O)[O-])=C1	REAL300012058919	0	48	0.0	-32.89	378.22	8.86	-24.03
CC1=CN=CC(CC([NH2+]CC2=CC(S(N)(=O)=O)=CS2)C(=O)[O-])=C1	REAL300012058920	0	40	0.0	-35.75	358.29	2.44	-33.31
CC1=CN=CC(CC([NH2+]CC2=NC=C(Cl)C=C2Cl)C(=O)[O-])=C1	REAL300012058921	0	37	0.0	-28.72	338.31	7.60	-21.12
CC1=CN=CC(CC([NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)C(=O)[O-])=C1	REAL300012058922	0	53	0.0	-37.10	416.44	7.95	-29.15
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058923	0	51	0.0	-29.99	397.76	9.48	-20.51
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2C(F)F)C(=O)[O-])=C1	REAL300012058924	0	41	0.0	-32.29	334.74	9.39	-22.90
CC1=CN=CC(CC([NH2+]CC2=CC(C)=CC(Br)=C2F)C(=O)[O-])=C1	REAL300012058925	0	41	0.0	-25.59	358.98	9.76	-15.83
COC1=CC=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1Br	REAL300012058926	0	42	0.0	-30.25	354.72	8.28	-21.97
CC1=CN=CC(CC([NH2+]CC2=CC3=CNN=C3C=C2)C(=O)[O-])=C1	REAL300012058927	0	41	0.0	-36.29	338.73	7.15	-29.14
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)C(F)=C2F)C(=O)[O-])=C1	REAL300012058928	0	38	0.0	-27.73	339.49	9.06	-18.67
CC1=CN=CC(CC([NH2+]CC2=CC=CC(F)=C2C)C(=O)[O-])=C1	REAL300012058929	0	41	0.0	-28.73	332.59	9.15	-19.58
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C3=CN(C)N=C3)=C2)C(=O)[O-])=C1	REAL300012058930	0	48	0.0	-33.48	391.24	9.69	-23.79
COC1=CC(F)=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1Br	REAL300012058931	0	42	0.0	-27.69	366.90	8.46	-19.23
CC1=CN=CC(CC([NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)C(=O)[O-])=C1	REAL300012058932	0	48	0.0	-40.41	399.02	10.92	-29.49
CC1=CN=CC(CC([NH2+]CC2=CC(Br)=CC=C2C)C(=O)[O-])=C1	REAL300012058933	0	41	0.0	-26.10	345.23	9.59	-16.51
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058934	0	43	0.0	-31.29	362.25	8.31	-22.98
COC1=NC2=CC=C(C[NH2+]C(CC3=CN=CC(C)=C3)C(=O)[O-])C=C2S1	REAL300012058935	0	44	0.0	-34.68	376.87	6.34	-28.34
CC1=CN=CC(CC([NH2+]CC2=CC=NC(Br)=C2)C(=O)[O-])=C1	REAL300012058936	0	37	0.0	-31.58	326.65	7.17	-24.41
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC(Cl)=C2Cl)C(=O)[O-])=C1	REAL300012058937	0	38	0.0	-24.30	344.58	9.41	-14.89
CC1=CN=CC(CC([NH2+]CC2=CC=C(Cl)N=C2C)C(=O)[O-])=C1	REAL300012058938	0	40	0.0	-30.88	336.00	7.58	-23.30
CC1=CN=CC(CC([NH2+]CC2=CC=CC(OCC(C)(C)C)=C2)C(=O)[O-])=C1	REAL300012058939	0	54	0.0	-29.34	424.25	10.85	-18.49
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012058940	0	42	0.0	-28.97	357.40	8.21	-20.76
CC1=CN=CC(CC([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)C(=O)[O-])=C1	REAL300012058941	0	41	0.0	-34.24	360.41	9.69	-24.55
COC1=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=CC(F)=C1F	REAL300012058942	0	42	0.0	-35.30	354.50	7.87	-27.43
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058943	0	44	0.0	-29.97	357.73	6.64	-23.33
CC1=CN=CC(CC([NH2+]CC2=CN(C(C)C)C=N2)C(=O)[O-])=C1	REAL300012058944	0	44	0.0	-34.02	353.80	9.00	-25.02
CC1=CN=CC(CC([NH2+]CC2=CNN=C2C2=CC=NN2C)C(=O)[O-])=C1	REAL300012058945	0	45	0.0	-35.25	374.12	6.02	-29.23
CC1=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012058946	0	44	0.0	-27.70	361.70	8.85	-18.85
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1C	REAL300012058947	0	48	0.0	-32.97	393.02	8.17	-24.80
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC(C)C)O2)C(=O)[O-])=C1	REAL300012058948	1	45	0.0	-32.51	368.37	8.74	-23.77
CC1=CN=CC(CC([NH2+]CC2=C(C)C=C(Br)C=C2C)C(=O)[O-])=C1	REAL300012058949	0	44	0.0	-26.35	363.63	10.03	-16.32
CC1=CN=CC(CC([NH2+]CC2=C(O)C=CC(F)=C2Br)C(=O)[O-])=C1	REAL300012058950	0	39	0.0	-31.09	344.44	6.22	-24.87
CC1=CN=CC(CC([NH2+]CC2=C(Cl)C=CC3=C2OCO3)C(=O)[O-])=C1	REAL300012058951	0	41	0.0	-29.24	352.56	7.58	-21.66
CC1=CN=CC(CC([NH2+]CC2=CC(F)=CC(C#N)=C2)C(=O)[O-])=C1	REAL300012058952	0	39	0.0	-35.70	338.41	8.93	-26.77
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3CCCCC3)C=C2)C(=O)[O-])=C1	REAL300012058953	0	54	0.0	-27.17	413.01	12.21	-14.96
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058954	0	46	0.0	-32.74	370.58	9.05	-23.69
CC1=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])SC(Br)=C1	REAL300012058955	0	38	0.0	-25.49	341.72	8.84	-16.65
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058956	0	48	0.0	-30.54	380.25	8.82	-21.72
CC1=C(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012058957	0	44	0.0	-30.76	364.79	7.78	-22.98
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C(=O)[O-])=C1	REAL300012058958	0	46	0.0	-32.94	381.67	8.78	-24.16
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058959	0	47	0.0	-24.75	394.87	8.71	-16.04
CC1=CN=CC(CC([NH2+]CC2=NC3=CC(Cl)=CC=C3N2C(C)C)C(=O)[O-])=C1	REAL300012058960	0	50	0.0	-35.32	410.60	10.60	-24.72
CC1=CN=CC(CC([NH2+]CC2=CC(C3=CC=CO3)=NN2C)C(=O)[O-])=C1	REAL300012058961	0	45	0.0	-31.35	373.36	7.69	-23.66
CC1=CN=CC(CC([NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C(=O)[O-])=C1	REAL300012058962	0	51	0.0	-30.99	413.09	12.90	-18.09
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058963	0	54	0.0	-35.14	432.12	9.77	-25.37
COC1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(C)=N1	REAL300012058964	0	44	0.0	-29.08	349.60	5.55	-23.53
CCN(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C(C)=C1	REAL300012058965	0	52	0.0	-26.47	397.18	10.32	-16.15
CC1=CN=CC(CC([NH2+]CC2=CC(Cl)=CN=C2Br)C(=O)[O-])=C1	REAL300012058966	0	37	0.0	-24.06	338.44	7.60	-16.46
CC1=CN=CC(CC([NH2+]CC2=C(Cl)C(Cl)=CS2)C(=O)[O-])=C1	REAL300012058967	0	35	0.0	-27.45	333.94	8.53	-18.92
CC1=CN=CC(CC([NH2+]CC2=CN(C(C)(C)C)N=C2C(C)(C)C)C(=O)[O-])=C1	REAL300012058968	0	59	0.0	-27.11	438.25	10.41	-16.70
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058969	0	49	0.0	-28.62	388.86	7.85	-20.77
CC1=CN=CC(CC([NH2+]CC2=CC=C(CF)C=C2)C(=O)[O-])=C1	REAL300012058970	0	41	0.0	-29.54	339.14	9.22	-20.32
CC1=CN=CC(CC([NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C(=O)[O-])=C1	REAL300012058971	0	42	0.0	-32.28	374.49	8.86	-23.42
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C(=O)[O-])=C1	REAL300012058972	0	48	0.0	-31.94	401.05	11.26	-20.68
CC1=CN=CC(CC([NH2+]CC2=CC=C3SC=CC3=C2)C(=O)[O-])=C1	REAL300012058973	0	41	0.0	-29.43	348.08	9.77	-19.66
CC1=CN=CC(CC([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C(=O)[O-])=C1	REAL300012058974	0	47	0.0	-32.19	381.89	10.11	-22.08
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2CO)C(=O)[O-])=C1	REAL300012058975	0	42	0.0	-27.37	333.87	5.81	-21.56
CC1=NSC(C)=C1C[NH2+]C(CC1=CC(C)=CN=C1)C(=O)[O-]	REAL300012058976	0	40	0.0	-27.17	331.64	7.17	-20.00
CC1=CN=CC(CC([NH2+]CC2=C(C(C)(C)C)ON=C2)C(=O)[O-])=C1	REAL300012058977	0	46	0.0	-29.27	349.45	8.28	-20.99
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C)=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012058978	0	44	0.0	-31.78	357.36	10.06	-21.72
C=CCN1C=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=N1	REAL300012058979	0	42	0.0	-30.73	347.44	7.67	-23.06
CC1=CN=CC(CC([NH2+]CC2=CC3=NNC=C3C=C2)C(=O)[O-])=C1	REAL300012058980	0	41	0.0	-33.88	338.71	7.22	-26.66
CCC(C)C1=CC=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=C1	REAL300012058981	0	50	0.0	-28.89	388.97	11.03	-17.86
CC1=CN=CC(CC([NH2+]CC2=CC3=NC=C(Br)C=C3O2)C(=O)[O-])=C1	REAL300012058982	0	40	0.0	-34.27	356.40	7.83	-26.44
CC1=CN=CC(CC([NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)C(=O)[O-])=C1	REAL300012058983	0	43	0.0	-33.84	378.23	8.78	-25.06
CC1=CN=CC(CC([NH2+]CC2=CC3=C(CCOC3)N=C2Cl)C(=O)[O-])=C1	REAL300012058984	0	45	0.0	-25.96	372.08	7.05	-18.91
CC1=CN=CC(CC([NH2+]CC2=NC=C(CC3=CC=CC=C3)N2C)C(=O)[O-])=C1	REAL300012058985	0	51	0.0	-28.04	410.79	11.01	-17.03
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C(C)(F)F)=N2)C(=O)[O-])=C1	REAL300012058986	0	43	0.0	-27.60	361.58	8.38	-19.22
CC1=CN=CC(CC([NH2+]CC2=CC(Br)=CC(F)=C2F)C(=O)[O-])=C1	REAL300012058987	0	38	0.0	-26.35	344.58	9.17	-17.18
CC1=CN=CC(CC([NH2+]CC2=CC=CC3=C2CCCC3)C(=O)[O-])=C1	REAL300012058988	0	48	0.0	-26.22	366.84	10.80	-15.42
CC1=CN=CC(CC([NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)C(=O)[O-])=C1	REAL300012058989	0	40	0.0	-34.59	361.97	9.80	-24.79
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058990	0	45	0.0	-34.18	372.95	10.42	-23.76
COC1=C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])C=CC(Br)=C1F	REAL300012058991	0	42	0.0	-31.74	368.77	8.51	-23.23
CC1=CN=CC(CC([NH2+]CC2=CC=CC(C(F)(F)F)=C2F)C(=O)[O-])=C1	REAL300012058992	0	41	0.0	-29.51	355.96	9.52	-19.99
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C(=O)[O-])=C1	REAL300012058993	0	44	0.0	-37.14	362.67	8.35	-28.79
CC1=CN=CC(CC([NH2+]CC2=C(C)C3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300012058994	0	47	0.0	-27.53	365.96	11.08	-16.45
CC1=CN=CC(CC([NH2+]CC2=CN(C(C)(C)C)N=C2C(C)C)C(=O)[O-])=C1	REAL300012058995	0	56	0.0	-29.11	434.37	9.99	-19.12
CC1=CN=CC(CC([NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)C(=O)[O-])=C1	REAL300012058996	0	44	0.0	-32.83	374.85	11.20	-21.63
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012058997	0	46	0.0	-30.27	373.42	7.87	-22.40
CC1=NC(C[NH2+]C(CC2=CC(C)=CN=C2)C(=O)[O-])=C(C)S1	REAL300012058998	1	40	0.0	-25.56	334.78	6.82	-18.74
CC1=CN=CC(CC([NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C(=O)[O-])=C1	REAL300012058999	0	51	0.0	-32.87	400.06	5.52	-27.35
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012059000	0	50	0.0	-29.06	400.62	7.16	-21.90
CCCN1N=CC(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1C	REAL300012059001	0	47	0.0	-28.51	377.16	8.31	-20.20
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)C(=O)[O-])=C1	REAL300012059002	0	55	0.0	-36.00	420.76	10.64	-25.36
CC1=CN=CC(CC([NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)C(=O)[O-])=C1	REAL300012059003	0	52	0.0	-26.46	425.27	11.94	-14.52
CC1=CN=CC(CC([NH2+]CC2=C(C)C=CC3=CC=CN=C32)C(=O)[O-])=C1	REAL300012059004	0	46	0.0	-33.09	368.17	9.59	-23.50
CC1=CN=CC(CC([NH2+]CC2=CN=C(N3C=CC=N3)C(C)=C2)C(=O)[O-])=C1	REAL300012059005	0	47	0.0	-33.68	384.05	9.76	-23.92
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1	REAL300012059006	0	45	0.0	-37.33	373.08	8.52	-28.81
COC1=CC=C(Br)C(C[NH2+]C(CC2=CN=CC(C)=C2)C(=O)[O-])=C1O	REAL300012059007	0	43	0.0	-30.56	369.44	6.19	-24.37
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CN=CC(C)=C1)C(=O)[O-]	REAL300012059008	0	47	0.0	-28.12	371.25	8.29	-19.83
CC1=CN=CC(CC([NH2+]CC2=CN(C)N=C2C2CCC2)C(=O)[O-])=C1	REAL300012059009	0	48	0.0	-30.84	382.84	8.85	-21.99
CC1=CN=CC(CC([NH2+]CC2=CN=C(C(C)(C)C)O2)C(=O)[O-])=C1	REAL300012059010	1	46	0.0	-27.87	370.35	5.88	-21.99
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C)C=C2C)C(=O)[O-])=C1	REAL300012059011	0	46	0.0	-25.43	384.30	12.32	-13.11
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C)=CC=C2C)C(=O)[O-])=C1	REAL300012059012	0	46	0.0	-26.75	389.31	12.47	-14.28
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=CC=CN=C3C=C2)C(=O)[O-])=C1	REAL300012059013	0	45	0.0	-31.66	394.20	11.54	-20.12
CSC1=CC(Cl)=CC(CC([NH2+]CC2CC3C=CC2C3)C(=O)[O-])=C1	REAL300012059014	0	45	0.0	-28.54	368.99	11.69	-16.85
CSC1=CC(Cl)=CC(CC([NH2+]CC2CCCCC2)C(=O)[O-])=C1	REAL300012059015	0	46	0.0	-28.97	372.76	11.48	-17.49
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300012059016	0	52	0.0	-27.04	427.94	13.47	-13.57
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(C)=C2C)C(=O)[O-])=C1	REAL300012059017	0	46	0.0	-25.37	380.57	12.21	-13.16
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C)C(C)=C2)C(=O)[O-])=C1	REAL300012059018	0	46	0.0	-27.18	390.16	12.35	-14.83
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC=C2OC(C)C)C(=O)[O-])=C1	REAL300012059019	0	50	0.0	-25.21	420.81	12.10	-13.11
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(C#N)=C2)C(=O)[O-])=C1	REAL300012059020	0	41	0.0	-35.67	373.93	11.57	-24.10
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CSC3=CC=CC=C23)C(=O)[O-])=C1	REAL300012059021	0	43	0.0	-26.93	388.64	12.52	-14.41
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=CC=CC=C3OC2)C(=O)[O-])=C1	REAL300012059022	0	46	0.0	-28.97	397.81	11.64	-17.33
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(Cl)S2)C(=O)[O-])=C1	REAL300012059023	0	37	0.0	-26.83	360.34	10.91	-15.92
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC3=CC=CN=C32)C(=O)[O-])=C1	REAL300012059024	0	45	0.0	-25.35	391.52	11.67	-13.68
CCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])O1	REAL300012059025	0	43	0.0	-29.67	375.89	10.88	-18.79
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(F)=CC=C2F)C(=O)[O-])=C1	REAL300012059026	0	40	0.0	-27.13	365.04	11.28	-15.85
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(F)C=C2Cl)C(=O)[O-])=C1	REAL300012059027	0	40	0.0	-28.82	368.67	11.59	-17.23
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(F)C(Cl)=C2)C(=O)[O-])=C1	REAL300012059028	0	40	0.0	-29.73	374.34	11.71	-18.02
CCOC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059029	0	47	0.0	-30.58	404.42	11.41	-19.17
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C)C(F)=C2)C(=O)[O-])=C1	REAL300012059030	0	43	0.0	-30.97	378.47	11.86	-19.11
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(F)=C(F)C(F)=C2)C(=O)[O-])=C1	REAL300012059031	0	40	0.0	-33.46	372.07	11.37	-22.09
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])=C1	REAL300012059032	0	43	0.0	-27.07	390.45	12.72	-14.35
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(Cl)C(F)=C2)C(=O)[O-])=C1	REAL300012059033	0	40	0.0	-30.30	375.66	11.76	-18.54
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CN=C2Cl)C(=O)[O-])=C1	REAL300012059034	0	39	0.0	-25.02	358.71	9.77	-15.25
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C)N=C2C(C)C)C(=O)[O-])=C1	REAL300012059035	0	49	0.0	-28.66	418.28	10.82	-17.84
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])=C1	REAL300012059036	0	46	0.0	-29.62	394.61	10.37	-19.25
CCCOC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059037	0	50	0.0	-26.58	423.77	12.14	-14.44
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(OC(C)C)=C2)C(=O)[O-])=C1	REAL300012059038	0	50	0.0	-28.46	422.34	12.04	-16.42
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CSC(C(C)C)=N2)C(=O)[O-])=C1	REAL300012059039	0	45	0.0	-30.51	399.51	10.19	-20.32
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CSC(C(C)(C)C)=N2)C(=O)[O-])=C1	REAL300012059040	0	48	0.0	-30.22	418.45	10.69	-19.53
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)C=CO2)C(=O)[O-])=C1	REAL300012059041	0	40	0.0	-29.37	354.37	9.95	-19.42
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C(Cl)C(C)=C2)C(=O)[O-])=C1	REAL300012059042	0	42	0.0	-30.16	382.25	10.37	-19.79
CSC1=CC(Cl)=CC(CC([NH2+]CC=CC2=CC=C(Cl)C=C2)C(=O)[O-])=C1	REAL300012059043	0	44	0.0	-31.58	400.84	13.00	-18.58
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)OC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012059044	0	46	0.0	-26.02	398.95	12.25	-13.77
CSC1=CC(Cl)=CC(CC([NH2+]CC2=COC3=CC=CC=C23)C(=O)[O-])=C1	REAL300012059045	0	43	0.0	-30.95	380.99	11.56	-19.39
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C)C=N2)C(=O)[O-])=C1	REAL300012059046	0	42	0.0	-30.96	368.16	9.97	-20.99
CSC1=CC(Cl)=CC(CC([NH2+]CC=CC2=CC=C(F)C=C2F)C(=O)[O-])=C1	REAL300012059047	0	44	0.0	-31.87	394.71	12.55	-19.32
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(Cl)SC=C2)C(=O)[O-])=C1	REAL300012059048	0	37	0.0	-24.05	357.29	10.73	-13.32
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=C(F)C=CC=C3N2)C(=O)[O-])=C1	REAL300012059049	0	44	0.0	-32.78	390.14	11.16	-21.62
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=CC=C(F)C=C3N2)C(=O)[O-])=C1	REAL300012059050	0	44	0.0	-30.42	391.40	11.20	-19.22
CCOC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=N1	REAL300012059051	0	46	0.0	-32.53	402.09	8.78	-23.75
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(Cl)C(C)=C2)C(=O)[O-])=C1	REAL300012059052	0	43	0.0	-28.97	388.52	12.30	-16.67
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C3C=CSC3=C2)C(=O)[O-])=C1	REAL300012059053	0	42	0.0	-31.67	384.95	10.67	-21.00
CCCC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059054	0	49	0.0	-27.34	417.45	13.40	-13.94
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1C#N	REAL300012059055	0	45	0.0	-34.19	402.78	10.90	-23.29
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)C=C(Cl)C=C2C)C(=O)[O-])=C1	REAL300012059056	0	46	0.0	-26.15	399.64	12.67	-13.48
CCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])N=C1	REAL300012059057	0	46	0.0	-32.14	399.48	9.55	-22.59
C=CCOC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059058	0	48	0.0	-30.13	416.00	11.97	-18.16
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C)=C(C)C=C2C)C(=O)[O-])=C1	REAL300012059059	0	49	0.0	-25.81	402.97	12.90	-12.91
CSC1=CC(Cl)=CC(CC([NH2+]CC(C)(C)C2=CC=CC=C2)C(=O)[O-])=C1	REAL300012059060	0	49	0.0	-28.98	399.85	12.83	-16.15
CSC1=CC(Cl)=CC(CC([NH2+]CC2CCC(C)CC2)C(=O)[O-])=C1	REAL300012059061	0	49	0.0	-27.93	386.59	11.86	-16.07
CSC1=CC(Cl)=CC(CC([NH2+]CC(C)CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012059062	0	52	0.0	-30.44	432.08	14.05	-16.39
CCC1CCCC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C1	REAL300012059063	0	52	0.0	-27.14	410.98	12.68	-14.46
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059064	0	46	0.0	-26.59	403.10	12.80	-13.79
CCCC1CCC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])CC1	REAL300012059065	0	55	0.0	-27.60	433.32	13.48	-14.12
CSC1=CC(Cl)=CC(CC([NH2+]CC2CCCCC2C)C(=O)[O-])=C1	REAL300012059066	0	49	0.0	-29.06	384.49	11.77	-17.29
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059067	0	47	0.0	-25.64	402.62	11.21	-14.43
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1F	REAL300012059068	0	44	0.0	-30.41	387.47	10.52	-19.89
CSC1=CC(Cl)=CC(CC([NH2+]CC2CCOC(C(C)C)C2)C(=O)[O-])=C1	REAL300012059069	0	53	0.0	-31.41	422.86	11.20	-20.21
CSC1=CC(Cl)=CC(CC([NH2+]CC2CCC(C)(C)CC2)C(=O)[O-])=C1	REAL300012059070	0	52	0.0	-28.94	406.73	12.37	-16.57
CCSC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059071	0	47	0.0	-30.51	414.74	13.04	-17.47
COC1(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])CCCCC1	REAL300012059072	0	50	0.0	-26.56	395.25	10.51	-16.05
COCCC1(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])CCCCC1	REAL300012059073	0	56	0.0	-26.37	426.59	11.25	-15.12
CCCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1	REAL300012059074	0	50	0.0	-28.85	424.60	12.17	-16.68
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=CC=CC=C3O2)C(=O)[O-])=C1	REAL300012059075	0	43	0.0	-32.42	380.95	11.71	-20.71
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C)C([N+](=O)[O-])=C2)C(=O)[O-])=C1	REAL300012059076	0	45	0.0	-31.67	398.63	12.45	-19.22
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(OC(C)C)C=C2)C(=O)[O-])=C1	REAL300012059077	0	50	0.0	-28.21	421.02	12.00	-16.21
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(F)C(C)=C2)C(=O)[O-])=C1	REAL300012059078	0	43	0.0	-29.67	379.78	11.89	-17.78
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])=C1	REAL300012059079	0	44	0.0	-26.98	384.43	11.19	-15.79
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(CC(C)C)C=C2)C(=O)[O-])=C1	REAL300012059080	0	52	0.0	-26.63	432.06	13.80	-12.83
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(F)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012059081	0	40	0.0	-29.48	374.92	11.72	-17.76
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)C=CC=C2C)C(=O)[O-])=C1	REAL300012059082	0	46	0.0	-24.40	380.32	12.07	-12.33
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(Cl)C=C2F)C(=O)[O-])=C1	REAL300012059083	0	40	0.0	-25.27	374.04	11.70	-13.57
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(Cl)=CC=C2F)C(=O)[O-])=C1	REAL300012059084	0	40	0.0	-26.51	375.36	11.72	-14.79
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(F)=CC(F)=C2)C(=O)[O-])=C1	REAL300012059085	0	40	0.0	-29.94	364.57	11.28	-18.66
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(Cl)=C2F)C(=O)[O-])=C1	REAL300012059086	0	40	0.0	-26.31	374.82	11.71	-14.60
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(F)=C2F)C(=O)[O-])=C1	REAL300012059087	0	40	0.0	-27.01	364.93	11.27	-15.74
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC3=CC=CC=C3N2C)C(=O)[O-])=C1	REAL300012059088	0	46	0.0	-26.84	399.48	11.54	-15.30
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=N1	REAL300012059089	0	43	0.0	-30.64	380.12	7.88	-22.76
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])=C1	REAL300012059090	0	45	0.0	-30.43	388.97	11.03	-19.40
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])=C1	REAL300012059091	0	44	0.0	-28.55	384.09	11.20	-17.35
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(F)C=C2C)C(=O)[O-])=C1	REAL300012059092	0	43	0.0	-27.17	369.30	11.72	-15.45
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)N=C(C)S2)C(=O)[O-])=C1	REAL300012059093	0	42	0.0	-26.70	375.71	9.57	-17.13
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1	REAL300012059094	0	47	0.0	-34.24	409.54	9.47	-24.77
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300012059095	0	46	0.0	-28.86	397.89	13.40	-15.46
COC1=CC(OC)=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059096	0	48	0.0	-30.16	412.07	9.80	-20.36
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C3C(=C2)N=CN3C)C(=O)[O-])=C1	REAL300012059098	0	46	0.0	-31.40	401.45	12.53	-18.87
CCN1N=C(C)C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1C	REAL300012059099	0	49	0.0	-30.48	416.76	10.83	-19.65
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C)=CC=C2F)C(=O)[O-])=C1	REAL300012059100	0	43	0.0	-30.20	378.99	11.91	-18.29
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(F)=CC=C2C)C(=O)[O-])=C1	REAL300012059101	0	43	0.0	-29.12	372.98	11.84	-17.28
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CN=C2C)C(=O)[O-])=C1	REAL300012059102	0	42	0.0	-27.88	362.96	9.98	-17.90
CSC1=CC(Cl)=CC(CC([NH2+]CC2CCCC(C)(C)C2)C(=O)[O-])=C1	REAL300012059103	0	52	0.0	-29.00	406.73	12.37	-16.63
CSC1=CC(Cl)=CC(CC([NH2+]CC2C(C)=CCCC2C)C(=O)[O-])=C1	REAL300012059104	0	50	0.0	-24.78	393.39	12.43	-12.35
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012059105	0	45	0.0	-28.30	387.33	11.47	-16.83
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(Cl)C=C2C)C(=O)[O-])=C1	REAL300012059106	0	43	0.0	-27.17	381.30	12.22	-14.95
CSC1=CC(Cl)=CC(CC([NH2+]CC=CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012059107	0	44	0.0	-31.84	389.20	12.52	-19.32
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012059108	0	39	0.0	-30.49	363.47	9.79	-20.70
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C3C(=C2)N=NN3C)C(=O)[O-])=C1	REAL300012059109	0	45	0.0	-32.75	395.73	9.60	-23.15
CSC1=CC(Cl)=CC(CC([NH2+]CC2CCCCCC2)C(=O)[O-])=C1	REAL300012059110	0	49	0.0	-28.96	383.93	11.92	-17.04
COC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=N1	REAL300012059111	0	43	0.0	-32.19	378.91	7.80	-24.39
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C(C)C)N=C2)C(=O)[O-])=C1	REAL300012059112	0	46	0.0	-31.69	396.08	10.38	-21.31
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=CC(F)=CC=C3O2)C(=O)[O-])=C1	REAL300012059113	0	43	0.0	-28.11	386.07	11.74	-16.37
COCC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059114	0	47	0.0	-28.37	406.81	10.87	-17.50
CSC1=CC(Cl)=CC(CC([NH2+]CC2CCC(C(C)(C)C)CC2)C(=O)[O-])=C1	REAL300012059115	0	58	0.0	-27.76	435.86	13.25	-14.51
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)OC(C)=C2)C(=O)[O-])=C1	REAL300012059116	0	43	0.0	-28.51	373.53	10.76	-17.75
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C(CC(C)C)S2)C(=O)[O-])=C1	REAL300012059117	0	48	0.0	-28.32	418.14	11.10	-17.22
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC3=C(CCC3)S2)C(=O)[O-])=C1	REAL300012059118	1	43	0.0	-25.81	382.37	10.31	-15.50
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1	REAL300012059119	0	44	0.0	-29.22	382.56	10.49	-18.73
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C)O2)C(=O)[O-])=C1	REAL300012059120	0	40	0.0	-30.21	355.73	10.14	-20.07
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012059121	0	40	0.0	-27.68	351.74	11.15	-16.53
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C(C(C)(C)C)S2)C(=O)[O-])=C1	REAL300012059122	0	48	0.0	-28.17	418.59	10.93	-17.24
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C3OCCOC3=C2)C(=O)[O-])=C1	REAL300012059123	0	46	0.0	-31.22	395.42	10.27	-20.95
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012059124	0	40	0.0	-29.73	368.47	11.66	-18.07
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C(C)(C)C)N=C2)C(=O)[O-])=C1	REAL300012059125	0	49	0.0	-27.89	413.67	10.93	-16.96
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C)=CC(C)=C2)C(=O)[O-])=C1	REAL300012059126	0	46	0.0	-27.30	394.56	12.47	-14.83
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(CO)O2)C(=O)[O-])=C1	REAL300012059127	0	41	0.0	-33.11	365.82	6.76	-26.35
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CS2)C(=O)[O-])=C1	REAL300012059128	0	37	0.0	-28.21	341.97	10.25	-17.96
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(NC(C)=O)C=C2)C(=O)[O-])=C1	REAL300012059129	0	47	0.0	-36.15	407.83	10.04	-26.11
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300012059130	0	40	0.0	-27.40	361.32	11.56	-15.84
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC([N+](=O)[O-])=C2)C(=O)[O-])=C1	REAL300012059131	0	42	0.0	-38.38	379.96	11.82	-26.56
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=C1	REAL300012059132	0	42	0.0	-35.45	381.28	11.86	-23.59
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012059133	0	46	0.0	-27.32	388.69	13.17	-14.15
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(N(C)C)C=C2)C(=O)[O-])=C1	REAL300012059134	0	48	0.0	-28.33	404.57	11.60	-16.73
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(Cl)C=C2)C(=O)[O-])=C1	REAL300012059135	0	40	0.0	-28.21	367.64	11.63	-16.58
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(F)C=CC=C2Cl)C(=O)[O-])=C1	REAL300012059136	0	40	0.0	-27.54	372.42	11.63	-15.91
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012059137	0	40	0.0	-28.96	357.32	11.18	-17.78
COC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1OC	REAL300012059138	0	48	0.0	-25.51	410.53	10.40	-15.11
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1OC	REAL300012059139	0	48	0.0	-31.21	411.81	10.39	-20.82
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C(OC)=C1	REAL300012059140	0	48	0.0	-29.53	409.35	9.81	-19.72
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(F)C=C2F)C(=O)[O-])=C1	REAL300012059141	0	40	0.0	-25.80	363.72	11.23	-14.57
CSC1=CC(Cl)=CC(CC([NH2+]CC2CC=CCC2)C(=O)[O-])=C1	REAL300012059142	0	44	0.0	-28.88	366.43	11.40	-17.48
COC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059143	0	44	0.0	-30.04	381.25	10.45	-19.59
CSC1=CC(Cl)=CC(CC([NH2+]CC(C)=CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012059144	0	47	0.0	-28.90	399.93	12.93	-15.97
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C(C)C)C=C2)C(=O)[O-])=C1	REAL300012059145	0	49	0.0	-27.03	411.97	13.08	-13.95
CCOC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059146	0	47	0.0	-28.61	403.10	11.49	-17.12
CCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1	REAL300012059147	0	47	0.0	-29.62	404.42	11.41	-18.21
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC=C2F)C(=O)[O-])=C1	REAL300012059148	0	40	0.0	-30.85	357.63	11.23	-19.62
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300012059149	0	40	0.0	-31.27	359.47	11.26	-20.01
COC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059150	0	44	0.0	-25.78	381.15	10.55	-15.23
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)C=CS2)C(=O)[O-])=C1	REAL300012059151	0	40	0.0	-24.33	358.18	10.77	-13.56
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC=C2C)C(=O)[O-])=C1	REAL300012059152	0	43	0.0	-26.10	366.77	11.72	-14.38
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C)C=C2)C(=O)[O-])=C1	REAL300012059153	0	43	0.0	-27.28	373.15	11.82	-15.46
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C#N)C=C2)C(=O)[O-])=C1	REAL300012059154	0	41	0.0	-33.70	373.93	11.58	-22.12
CSC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1	REAL300012059155	0	44	0.0	-27.97	391.12	12.14	-15.83
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(C)=C2)C(=O)[O-])=C1	REAL300012059156	0	43	0.0	-27.84	374.47	11.86	-15.98
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CSC=C2)C(=O)[O-])=C1	REAL300012059157	0	37	0.0	-28.02	343.05	10.13	-17.89
CCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1	REAL300012059158	0	46	0.0	-26.72	393.80	12.55	-14.17
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)C=C(C)C=C2C)C(=O)[O-])=C1	REAL300012059159	0	49	0.0	-24.70	402.39	12.75	-11.95
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(F)C=CC=C2F)C(=O)[O-])=C1	REAL300012059160	0	40	0.0	-28.21	363.69	11.24	-16.97
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(F)C(F)=C2)C(=O)[O-])=C1	REAL300012059161	0	40	0.0	-30.60	364.45	11.27	-19.33
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C)S2)C(=O)[O-])=C1	REAL300012059162	0	40	0.0	-28.09	363.85	11.05	-17.04
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1O	REAL300012059163	0	45	0.0	-29.75	392.00	8.29	-21.46
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)N(C)N=C2C)C(=O)[O-])=C1	REAL300012059164	0	46	0.0	-28.05	393.93	9.92	-18.13
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(Cl)N(C)N=C2C)C(=O)[O-])=C1	REAL300012059165	0	43	0.0	-28.27	391.21	9.84	-18.43
CCC1=NN(C)C=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059166	0	46	0.0	-29.08	397.01	10.30	-18.78
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C)N=C2C(C)(C)C)C(=O)[O-])=C1	REAL300012059167	0	52	0.0	-28.06	418.94	11.14	-16.92
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300012059168	0	39	0.0	-29.41	347.90	9.40	-20.01
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CO2)C(=O)[O-])=C1	REAL300012059169	0	37	0.0	-30.19	333.81	9.32	-20.87
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300012059170	0	39	0.0	-29.78	346.62	9.38	-20.40
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(Cl)O2)C(=O)[O-])=C1	REAL300012059171	0	37	0.0	-31.29	349.56	9.90	-21.39
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059172	0	46	0.0	-26.56	408.79	12.02	-14.54
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)ON=C2C)C(=O)[O-])=C1	REAL300012059173	0	42	0.0	-30.62	370.20	9.97	-20.65
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CSC(C)=N2)C(=O)[O-])=C1	REAL300012059174	0	39	0.0	-31.28	359.63	8.90	-22.38
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C)N=C2)C(=O)[O-])=C1	REAL300012059175	0	40	0.0	-32.27	354.56	8.95	-23.32
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1C	REAL300012059176	0	47	0.0	-28.98	402.64	11.23	-17.75
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CNN=C2C(C)(C)C)C(=O)[O-])=C1	REAL300012059177	0	49	0.0	-26.85	400.44	10.03	-16.82
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC=CN2)C(=O)[O-])=C1	REAL300012059178	0	37	0.0	-33.52	331.17	7.87	-25.65
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059179	0	48	0.0	-26.52	408.06	9.86	-16.66
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC=CN2C)C(=O)[O-])=C1	REAL300012059180	0	40	0.0	-33.31	352.26	9.53	-23.78
CSC1=CC(Cl)=CC(CC([NH2+]CC(C)(C)C)C(=O)[O-])=C1	REAL300012059181	0	42	0.0	-27.21	348.92	10.27	-16.94
COC1=CC=C(F)C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059182	0	44	0.0	-30.05	387.07	10.52	-19.53
CSC1=CC=C(C[NH2+]C(CC2=CC(SC)=CC(Cl)=C2)C(=O)[O-])S1	REAL300012059183	0	41	0.0	-27.05	386.59	11.51	-15.54
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC3=C2OCO3)C(=O)[O-])=C1	REAL300012059184	0	43	0.0	-31.84	377.77	9.80	-22.04
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=CN=C2)C(=O)[O-])=C1	REAL300012059185	0	38	0.0	-30.62	341.38	9.16	-21.46
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(Cl)C=CS2)C(=O)[O-])=C1	REAL300012059186	0	37	0.0	-24.68	357.26	10.69	-13.99
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059187	0	44	0.0	-27.31	386.29	10.57	-16.74
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NNC=C2)C(=O)[O-])=C1	REAL300012059188	0	37	0.0	-31.64	331.65	7.55	-24.09
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=NN2)C(=O)[O-])=C1	REAL300012059188	1	37	0.0	-29.42	331.65	7.53	-21.89
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C(N)=O)C=C2)C(=O)[O-])=C1	REAL300012059189	0	44	0.0	-34.16	387.61	7.97	-26.19
COC1=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=CC=C1F	REAL300012059190	0	44	0.0	-31.29	387.47	10.51	-20.78
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=CS2)C(=O)[O-])=C1	REAL300012059191	0	36	0.0	-29.13	337.85	8.43	-20.70
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=CN2C)C(=O)[O-])=C1	REAL300012059192	0	40	0.0	-29.00	353.21	10.34	-18.66
COC(=O)C1=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=CN1C	REAL300012059193	0	47	0.0	-31.35	412.51	11.38	-19.97
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C)C(Cl)=C2)C(=O)[O-])=C1	REAL300012059194	0	43	0.0	-30.45	388.53	12.30	-18.15
COC1=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=CC=C1C	REAL300012059195	0	47	0.0	-29.26	402.64	11.23	-18.03
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CSC=N2)C(=O)[O-])=C1	REAL300012059196	0	36	0.0	-31.51	337.68	8.19	-23.32
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(C)=C2F)C(=O)[O-])=C1	REAL300012059197	0	43	0.0	-31.00	378.99	11.85	-19.15
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C#N)C=C2F)C(=O)[O-])=C1	REAL300012059198	0	41	0.0	-29.57	378.12	11.55	-18.02
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)NN=C2C)C(=O)[O-])=C1	REAL300012059199	0	43	0.0	-29.47	371.41	8.65	-20.82
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CNN=C2C)C(=O)[O-])=C1	REAL300012059200	0	40	0.0	-28.79	351.17	8.23	-20.56
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)NN=C2)C(=O)[O-])=C1	REAL300012059200	1	40	0.0	-28.05	351.93	8.25	-19.80
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=NN2C)C(=O)[O-])=C1	REAL300012059201	0	40	0.0	-29.64	352.40	8.71	-20.93
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN3C=CC=CC3=N2)C(=O)[O-])=C1	REAL300012059202	0	43	0.0	-28.13	380.08	11.69	-16.44
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CSC(C3CC3)=N2)C(=O)[O-])=C1	REAL300012059203	0	43	0.0	-31.52	389.52	10.41	-21.11
CCC1=NC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=CS1	REAL300012059204	0	42	0.0	-30.53	379.79	9.62	-20.91
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C)N=C2C)C(=O)[O-])=C1	REAL300012059205	0	43	0.0	-30.80	373.55	9.52	-21.28
CCN1C=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=N1	REAL300012059206	0	43	0.0	-29.60	377.41	9.86	-19.74
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C)N=N2)C(=O)[O-])=C1	REAL300012059207	0	39	0.0	-37.79	348.55	7.66	-30.13
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(C(N)=O)=C2)C(=O)[O-])=C1	REAL300012059208	0	44	0.0	-38.54	386.29	7.92	-30.62
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NN(C)C=C2)C(=O)[O-])=C1	REAL300012059209	0	40	0.0	-31.80	354.62	8.86	-22.94
CSC1=CC(Cl)=CC(CC([NH2+]CC2CCCCCCC2)C(=O)[O-])=C1	REAL300012059210	0	52	0.0	-28.13	394.42	12.33	-15.80
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC(C)=CS2)C(=O)[O-])=C1	REAL300012059211	1	39	0.0	-29.74	358.36	8.88	-20.86
COC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1F	REAL300012059212	0	44	0.0	-33.87	386.62	10.47	-23.40
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C3CCCC3=C2)C(=O)[O-])=C1	REAL300012059213	0	47	0.0	-27.83	397.26	13.06	-14.77
CSC1=CC(Cl)=CC(CC([NH2+]CC2=COC=N2)C(=O)[O-])=C1	REAL300012059214	0	36	0.0	-34.07	328.48	5.79	-28.28
CCN1N=CC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059215	0	43	0.0	-27.08	369.46	9.68	-17.40
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC3=C(CCCC3)S2)C(=O)[O-])=C1	REAL300012059216	1	46	0.0	-29.28	400.31	10.89	-18.39
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=CC=NC=C3C=C2)C(=O)[O-])=C1	REAL300012059217	0	45	0.0	-31.82	394.07	11.66	-20.16
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)N=CS2)C(=O)[O-])=C1	REAL300012059218	0	39	0.0	-27.10	353.71	8.85	-18.25
COC1=CC(F)=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059219	0	44	0.0	-30.15	389.02	10.56	-19.59
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])=C1	REAL300012059220	0	50	0.0	-29.81	422.54	11.07	-18.74
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)SC=C2)C(=O)[O-])=C1	REAL300012059221	0	40	0.0	-27.19	360.30	10.90	-16.29
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(S(C)=O)C=C2)C(=O)[O-])=C1	REAL300012059222	0	45	0.0	-36.17	405.28	9.78	-26.39
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C3CCCCC3=C2)C(=O)[O-])=C1	REAL300012059223	0	50	0.0	-27.29	414.44	13.64	-13.65
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(C#N)=N2)C(=O)[O-])=C1	REAL300012059224	0	40	0.0	-29.42	367.71	9.61	-19.81
COC(=O)C1=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=CN1	REAL300012059225	0	44	0.0	-37.73	394.72	9.62	-28.11
COCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])O1	REAL300012059226	0	44	0.0	-32.10	388.07	9.16	-22.94
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(F)N=C2C)C(=O)[O-])=C1	REAL300012059227	0	42	0.0	-31.61	366.12	9.84	-21.77
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059228	0	47	0.0	-28.54	402.66	11.22	-17.32
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CSC(C)=C2)C(=O)[O-])=C1	REAL300012059229	0	40	0.0	-28.18	364.96	10.94	-17.24
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C)N=N2)C(=O)[O-])=C1	REAL300012059230	0	41	0.0	-36.17	363.26	8.86	-27.31
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=NN2C)C(=O)[O-])=C1	REAL300012059231	0	39	0.0	-33.87	346.49	7.52	-26.35
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(Cl)=CS2)C(=O)[O-])=C1	REAL300012059232	0	37	0.0	-27.71	358.85	10.76	-16.95
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)C=NN2C)C(=O)[O-])=C1	REAL300012059233	0	43	0.0	-27.42	371.71	9.30	-18.12
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300012059234	0	43	0.0	-27.18	389.92	12.30	-14.88
COCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1	REAL300012059235	0	47	0.0	-28.66	405.97	10.84	-17.82
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C3CC3)C=C2)C(=O)[O-])=C1	REAL300012059236	0	47	0.0	-27.83	402.29	13.30	-14.53
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC=C(Cl)S2)C(=O)[O-])=C1	REAL300012059237	0	36	0.0	-26.13	354.91	8.94	-17.19
C=CN1C=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=N1	REAL300012059238	0	41	0.0	-30.35	366.35	10.16	-20.19
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=NN2C2CCCC2)C(=O)[O-])=C1	REAL300012059239	0	50	0.0	-27.78	418.80	11.69	-16.09
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C(F)F)C=C2)C(=O)[O-])=C1	REAL300012059240	0	43	0.0	-29.00	383.09	11.98	-17.02
COC1=CC(C)=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C(C)=N1	REAL300012059241	0	49	0.0	-26.70	408.80	8.78	-17.92
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059242	0	50	0.0	-26.65	414.69	11.72	-14.93
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)N(C)N=C2)C(=O)[O-])=C1	REAL300012059243	0	43	0.0	-27.89	370.47	9.38	-18.51
CCCN1N=C(C)C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1C	REAL300012059244	0	52	0.0	-30.25	438.26	11.58	-18.67
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C(C3CC3)N=C2)C(=O)[O-])=C1	REAL300012059245	0	45	0.0	-30.91	393.74	10.80	-20.11
COCCN1C=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=N1	REAL300012059246	0	47	0.0	-32.25	409.76	8.86	-23.39
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C3CCC3)C=C2)C(=O)[O-])=C1	REAL300012059247	0	50	0.0	-27.73	418.82	13.78	-13.95
CCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1F	REAL300012059248	0	47	0.0	-30.32	409.33	11.45	-18.87
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C#N)=CS2)C(=O)[O-])=C1	REAL300012059249	0	38	0.0	-32.71	364.33	10.70	-22.01
COC1=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=CC=C1C#N	REAL300012059250	0	45	0.0	-35.05	401.45	10.85	-24.20
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C#N)C(C)=C2)C(=O)[O-])=C1	REAL300012059251	0	44	0.0	-33.42	393.07	12.08	-21.34
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC=C(C)S2)C(=O)[O-])=C1	REAL300012059252	1	39	0.0	-29.90	359.80	9.12	-20.78
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(CC(C)C)N=C2)C(=O)[O-])=C1	REAL300012059253	0	49	0.0	-31.28	412.95	11.40	-19.88
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC=C2C2CC2)C(=O)[O-])=C1	REAL300012059254	0	47	0.0	-25.38	394.74	13.14	-12.24
CCC1=CN=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])S1	REAL300012059255	1	42	0.0	-25.28	379.93	9.87	-15.41
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C(C)C)N=C2C)C(=O)[O-])=C1	REAL300012059256	0	49	0.0	-28.54	415.75	10.95	-17.59
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C(C3CC3)S2)C(=O)[O-])=C1	REAL300012059257	0	43	0.0	-27.86	389.66	10.78	-17.08
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C(C(C)C)S2)C(=O)[O-])=C1	REAL300012059258	0	45	0.0	-27.61	400.75	10.46	-17.15
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(CC(F)F)N=C2)C(=O)[O-])=C1	REAL300012059259	0	43	0.0	-31.11	389.08	10.10	-21.01
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C(=O)N(C)C)N2)C(=O)[O-])=C1	REAL300012059260	0	48	0.0	-37.36	410.38	9.37	-27.99
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C(N)=O)=CS2)C(=O)[O-])=C1	REAL300012059261	0	41	0.0	-32.81	379.41	7.05	-25.76
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059262	0	52	0.0	-28.81	435.80	11.34	-17.47
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C(C3CCC3)S2)C(=O)[O-])=C1	REAL300012059263	0	46	0.0	-28.77	407.62	11.30	-17.47
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059264	0	46	0.0	-29.06	394.27	12.42	-16.64
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NN(C(F)F)C=C2)C(=O)[O-])=C1	REAL300012059265	0	40	0.0	-31.46	367.98	9.05	-22.41
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC=C(C(C)C)S2)C(=O)[O-])=C1	REAL300012059266	1	45	0.0	-28.72	399.91	10.45	-18.27
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC=C(C(C)(C)C)S2)C(=O)[O-])=C1	REAL300012059267	1	48	0.0	-25.39	419.40	10.97	-14.42
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C3CC3)N=CS2)C(=O)[O-])=C1	REAL300012059268	0	43	0.0	-27.68	387.23	10.58	-17.10
COCCCN1N=CC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059269	0	50	0.0	-27.84	425.94	9.56	-18.28
CCN1N=C(C)C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=N1	REAL300012059270	0	45	0.0	-31.86	392.22	8.77	-23.09
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(C3CC3)=C2)C(=O)[O-])=C1	REAL300012059271	0	47	0.0	-28.49	402.32	13.29	-15.20
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C)=NN2C)C(=O)[O-])=C1	REAL300012059272	0	43	0.0	-29.18	375.62	9.35	-19.83
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C#N)C(F)=C2)C(=O)[O-])=C1	REAL300012059273	0	41	0.0	-34.53	378.49	11.59	-22.94
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(F)C=C(C)C=C2F)C(=O)[O-])=C1	REAL300012059274	0	43	0.0	-27.45	385.09	11.92	-15.53
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=NN2CC(C)C)C(=O)[O-])=C1	REAL300012059275	0	49	0.0	-27.41	414.95	11.16	-16.25
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=CN1	REAL300012059276	0	47	0.0	-30.49	410.64	10.20	-20.29
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC=C2C(C)C)C(=O)[O-])=C1	REAL300012059277	0	49	0.0	-25.70	406.81	12.96	-12.74
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NN3CCCCC3=C2)C(=O)[O-])=C1	REAL300012059278	0	47	0.0	-31.41	397.67	10.51	-20.90
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=CN=CC=C3O2)C(=O)[O-])=C1	REAL300012059279	0	42	0.0	-28.75	374.40	9.94	-18.81
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C)C=C2Cl)C(=O)[O-])=C1	REAL300012059280	0	43	0.0	-24.17	387.18	12.30	-11.87
CCC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059281	0	46	0.0	-27.40	395.95	12.62	-14.78
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C(F)=C1	REAL300012059282	0	44	0.0	-25.81	386.80	10.46	-15.35
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC3=C2CCC3)C(=O)[O-])=C1	REAL300012059283	0	47	0.0	-26.18	395.99	12.97	-13.21
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059284	0	44	0.0	-26.85	386.53	10.57	-16.28
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=CC=NC=C3S2)C(=O)[O-])=C1	REAL300012059285	0	42	0.0	-29.19	385.19	10.93	-18.26
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C3CCCN3N=C2)C(=O)[O-])=C1	REAL300012059286	0	44	0.0	-32.32	378.22	9.75	-22.57
C=CCCN1C=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])N=N1	REAL300012059287	0	46	0.0	-37.40	405.60	9.84	-27.56
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=NN2CC2CC2)C(=O)[O-])=C1	REAL300012059288	0	47	0.0	-27.69	407.51	11.16	-16.53
CCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C(C)=C1	REAL300012059289	0	50	0.0	-27.16	414.24	11.87	-15.29
COC1=NC=CC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059290	0	43	0.0	-30.57	377.52	7.92	-22.65
COCC1=CSC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059291	0	44	0.0	-28.68	396.43	9.94	-18.74
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C3CCC3)N=N2)C(=O)[O-])=C1	REAL300012059292	0	46	0.0	-36.09	393.93	9.62	-26.47
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C(F)(F)F)O2)C(=O)[O-])=C1	REAL300012059293	0	40	0.0	-33.54	374.98	10.55	-22.99
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(F)C(F)=C2F)C(=O)[O-])=C1	REAL300012059294	0	40	0.0	-35.88	368.05	11.28	-24.60
CCCN1N=CC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059295	0	46	0.0	-26.74	390.95	10.44	-16.30
CCCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])S1	REAL300012059296	0	46	0.0	-28.54	408.15	12.65	-15.89
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(C(C)C)=C2)C(=O)[O-])=C1	REAL300012059297	0	49	0.0	-27.17	411.97	13.07	-14.10
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C)N=C2Cl)C(=O)[O-])=C1	REAL300012059298	0	40	0.0	-32.72	370.41	9.34	-23.38
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=NN2CC2CCC2)C(=O)[O-])=C1	REAL300012059299	0	50	0.0	-28.50	422.47	11.70	-16.80
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C)C=C2F)C(=O)[O-])=C1	REAL300012059300	0	43	0.0	-25.32	380.04	11.89	-13.43
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(NC(C)=O)=C2)C(=O)[O-])=C1	REAL300012059301	0	47	0.0	-33.42	407.84	10.05	-23.37
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C3C(=C2)C=NN3C)C(=O)[O-])=C1	REAL300012059302	0	45	0.0	-35.69	397.39	10.32	-25.37
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C3CCCCC3=NN2C)C(=O)[O-])=C1	REAL300012059303	0	50	0.0	-29.15	417.26	11.17	-17.98
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CSC(C)=C2C)C(=O)[O-])=C1	REAL300012059304	0	43	0.0	-25.65	375.46	11.39	-14.26
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C(Cl)C(F)=C2)C(=O)[O-])=C1	REAL300012059305	0	39	0.0	-32.64	369.34	9.83	-22.81
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059306	0	47	0.0	-29.88	410.87	11.48	-18.40
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(Cl)=C2C)C(=O)[O-])=C1	REAL300012059307	0	43	0.0	-28.14	378.58	12.14	-16.00
COC1=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C(F)C=C1C	REAL300012059308	0	47	0.0	-29.63	405.01	11.19	-18.44
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC(C(C)(C)C)=CS2)C(=O)[O-])=C1	REAL300012059309	1	48	0.0	-25.57	418.64	10.90	-14.67
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(F)=CC(F)=C2O)C(=O)[O-])=C1	REAL300012059310	1	41	0.0	-27.85	373.18	8.46	-19.39
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC3=C2CCOC3)C(=O)[O-])=C1	REAL300012059311	0	48	0.0	-27.46	399.83	11.15	-16.31
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C3OC(=O)OC3=C2)C(=O)[O-])=C1	REAL300012059312	0	42	0.0	-35.37	380.83	11.73	-23.64
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])=C1	REAL300012059313	0	45	0.0	-29.96	385.78	11.36	-18.60
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=NC=CN=C3C=C2)C(=O)[O-])=C1	REAL300012059314	0	44	0.0	-32.36	389.11	9.60	-22.76
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059315	0	47	0.0	-27.72	407.07	11.45	-16.27
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)C(=O)[O-])=C1	REAL300012059316	0	45	0.0	-35.94	386.98	12.20	-23.74
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C)=CO2)C(=O)[O-])=C1	REAL300012059317	0	40	0.0	-29.44	354.39	9.96	-19.48
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012059318	0	39	0.0	-32.31	364.79	9.85	-22.46
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)C=C(C#N)C=C2C)C(=O)[O-])=C1	REAL300012059319	0	47	0.0	-29.32	401.72	12.47	-16.85
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(CCF)N=C2)C(=O)[O-])=C1	REAL300012059321	0	43	0.0	-30.32	384.00	9.99	-20.33
CCCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1	REAL300012059323	0	49	0.0	-26.72	415.29	13.33	-13.39
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=C(C)NN=C3N=C2)C(=O)[O-])=C1	REAL300012059324	0	45	0.0	-40.81	396.13	9.70	-31.11
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC=CS2)C(=O)[O-])=C1	REAL300012059325	0	36	0.0	-25.80	336.53	8.29	-17.51
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NN(C)C3=CC=CC=C23)C(=O)[O-])=C1	REAL300012059326	0	46	0.0	-26.33	400.86	11.03	-15.30
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C3C=CC=CC3=NN2)C(=O)[O-])=C1	REAL300012059327	0	43	0.0	-30.99	380.00	9.80	-21.19
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NNC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012059327	1	43	0.0	-30.37	378.83	9.78	-20.59
CCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])S1	REAL300012059328	0	43	0.0	-28.61	386.66	11.87	-16.74
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012059329	0	45	0.0	-24.66	386.19	11.35	-13.31
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)N=C3C=CC=CN32)C(=O)[O-])=C1	REAL300012059330	0	46	0.0	-29.22	400.48	12.18	-17.04
CCC1=NC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])S1	REAL300012059331	0	42	0.0	-28.61	379.93	9.85	-18.76
COC1=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])SC=C1	REAL300012059332	0	41	0.0	-26.55	373.19	9.59	-16.96
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CSC=C2Cl)C(=O)[O-])=C1	REAL300012059333	0	37	0.0	-24.47	357.72	10.59	-13.88
CCCC(C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012059334	0	52	0.0	-26.10	429.03	13.77	-12.33
CSC1=CC(Cl)=CC(CC([NH2+]CC2CC3CCC2C3)C(=O)[O-])=C1	REAL300012059335	0	47	0.0	-29.75	377.72	11.83	-17.92
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(F)N=C2)C(=O)[O-])=C1	REAL300012059336	0	39	0.0	-31.37	353.03	9.30	-22.07
CSC1=CC(Cl)=CC(CC([NH2+]CC2(C)CCC2)C(=O)[O-])=C1	REAL300012059337	0	43	0.0	-26.90	355.60	10.79	-16.11
CSC1=CC(Cl)=CC(CC([NH2+]CC2(C)CC2)C(=O)[O-])=C1	REAL300012059338	0	40	0.0	-26.99	340.17	10.49	-16.50
CSC1=CC(Cl)=CC(CC([NH2+]CC2(C(F)F)CC2)C(=O)[O-])=C1	REAL300012059339	0	40	0.0	-31.85	354.43	10.55	-21.30
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)C=NN2)C(=O)[O-])=C1	REAL300012059340	0	40	0.0	-29.02	350.80	8.17	-20.85
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NNC=C2C)C(=O)[O-])=C1	REAL300012059340	1	40	0.0	-31.22	353.88	8.22	-23.00
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC=C(C)N2C)C(=O)[O-])=C1	REAL300012059341	0	43	0.0	-33.42	373.38	10.03	-23.39
CSC1=CC(Cl)=CC(CC([NH2+]CC2CCC(C(C)C)CC2)C(=O)[O-])=C1	REAL300012059342	0	55	0.0	-27.79	422.95	12.97	-14.82
CCC1=NOC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059343	0	42	0.0	-31.47	370.44	9.96	-21.51
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(Cl)N(C)N=C2)C(=O)[O-])=C1	REAL300012059344	0	40	0.0	-26.31	369.53	9.24	-17.07
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=CC=CN=C3O2)C(=O)[O-])=C1	REAL300012059345	0	42	0.0	-36.69	373.56	8.59	-28.10
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=NC=C2C)C(=O)[O-])=C1	REAL300012059346	0	42	0.0	-27.72	358.37	9.88	-17.84
CSC1=CC(Cl)=CC(CC([NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C(=O)[O-])=C1	REAL300012059347	0	47	0.0	-31.52	402.29	13.30	-18.22
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC=CN2C(C)C)C(=O)[O-])=C1	REAL300012059349	0	46	0.0	-31.45	392.60	10.96	-20.49
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C3CC3)C=NN2C)C(=O)[O-])=C1	REAL300012059350	0	47	0.0	-29.08	403.78	10.84	-18.24
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C3CCC3)C=NN2C)C(=O)[O-])=C1	REAL300012059351	0	50	0.0	-26.40	417.91	11.26	-15.14
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C(C)N2C)C(=O)[O-])=C1	REAL300012059352	0	43	0.0	-28.28	372.28	10.10	-18.18
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=C(C)C=CC=C3N2)C(=O)[O-])=C1	REAL300012059353	0	47	0.0	-29.58	404.58	11.73	-17.85
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=CC=C(C)C=C3N2)C(=O)[O-])=C1	REAL300012059354	0	47	0.0	-29.18	404.17	11.71	-17.47
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC=CN=C2C)C(=O)[O-])=C1	REAL300012059355	0	41	0.0	-25.77	356.90	7.89	-17.88
CCOC1=CN=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059356	0	46	0.0	-30.32	398.05	9.55	-20.77
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=NC=C2Cl)C(=O)[O-])=C1	REAL300012059357	0	39	0.0	-24.61	359.00	9.85	-14.76
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC3=NNC=C32)C(=O)[O-])=C1	REAL300012059358	0	43	0.0	-30.46	379.19	9.89	-20.57
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059359	0	48	0.0	-32.17	392.57	11.56	-20.61
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=NC(F)=C2)C(=O)[O-])=C1	REAL300012059360	0	39	0.0	-34.25	353.05	9.32	-24.93
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])=C1	REAL300012059361	0	44	0.0	-29.50	383.15	11.17	-18.33
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=C(C=CNC3=O)O2)C(=O)[O-])=C1	REAL300012059362	0	43	0.0	-37.66	385.68	8.67	-28.99
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C(F)F)N=C2)C(=O)[O-])=C1	REAL300012059363	0	42	0.0	-31.03	381.18	10.22	-20.81
COC1=CN=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1C	REAL300012059364	0	46	0.0	-27.99	388.24	9.16	-18.83
CCCN1C=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])N=N1	REAL300012059365	0	45	0.0	-37.20	391.47	9.26	-27.94
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(F)=CC=C2N(C)C)C(=O)[O-])=C1	REAL300012059366	0	48	0.0	-26.65	410.72	11.27	-15.38
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C3CC3)C=N2)C(=O)[O-])=C1	REAL300012059367	0	44	0.0	-32.67	383.11	11.79	-20.88
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C)=NS2)C(=O)[O-])=C1	REAL300012059368	0	39	0.0	-31.60	358.30	9.56	-22.04
CCN1N=CN=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059369	0	42	0.0	-24.84	365.17	10.32	-14.52
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C(C3CC3)O2)C(=O)[O-])=C1	REAL300012059370	1	43	0.0	-31.63	381.79	8.49	-23.14
CCC1=CNC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=N1	REAL300012059371	0	43	0.0	-34.03	375.84	9.25	-24.78
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC=CC3=C2CCCC3)C(=O)[O-])=C1	REAL300012059372	0	49	0.0	-23.44	403.05	11.59	-11.85
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(Cl)C(C)=NN2C)C(=O)[O-])=C1	REAL300012059373	0	43	0.0	-24.73	389.86	9.76	-14.97
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C3OCCCC3=C2)C(=O)[O-])=C1	REAL300012059374	0	48	0.0	-29.39	406.77	11.82	-17.57
CCC1=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C(Cl)=NN1	REAL300012059375	0	43	0.0	-30.20	385.77	9.36	-20.84
CCC1=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C(C)=NO1	REAL300012059376	0	45	0.0	-28.64	386.48	10.72	-17.92
CCN1C=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])N=N1	REAL300012059377	0	42	0.0	-37.60	369.97	8.49	-29.11
CCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])O1	REAL300012059378	0	44	0.0	-30.92	388.68	10.70	-20.22
CCN1C=NC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059379	0	43	0.0	-33.56	376.95	11.36	-22.20
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C(F)C(C)=C2)C(=O)[O-])=C1	REAL300012059380	0	42	0.0	-31.18	373.38	9.93	-21.25
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C(F)C=C2C)C(=O)[O-])=C1	REAL300012059381	0	42	0.0	-29.23	366.51	9.88	-19.35
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C(C)=C1	REAL300012059382	0	47	0.0	-27.28	392.37	10.94	-16.34
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C3OC(C)CC3=C2)C(=O)[O-])=C1	REAL300012059383	0	48	0.0	-30.09	409.99	11.77	-18.32
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC3=C2OC(=O)N3)C(=O)[O-])=C1	REAL300012059384	0	43	0.0	-41.43	384.82	8.68	-32.75
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC3=C2OCC3)C(=O)[O-])=C1	REAL300012059385	0	45	0.0	-26.14	388.81	11.01	-15.13
CSCC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1	REAL300012059386	0	47	0.0	-29.57	419.19	13.08	-16.49
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(CC3CCC3)N=C2)C(=O)[O-])=C1	REAL300012059387	0	50	0.0	-29.05	425.30	11.94	-17.11
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C3COCCC3=NN2C)C(=O)[O-])=C1	REAL300012059388	0	48	0.0	-30.15	407.04	8.76	-21.39
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C3CCCC3=NN2C)C(=O)[O-])=C1	REAL300012059389	0	47	0.0	-30.18	399.79	10.66	-19.52
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=NN2C2CCC2)C(=O)[O-])=C1	REAL300012059390	0	47	0.0	-28.36	400.56	10.93	-17.43
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C3CCC3)N=C2)C(=O)[O-])=C1	REAL300012059391	0	47	0.0	-31.66	401.23	10.97	-20.69
COC1=CC=C(C)C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059392	0	47	0.0	-28.78	396.06	11.06	-17.72
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C3C(=CC=C2)N=CN3C)C(=O)[O-])=C1	REAL300012059393	0	46	0.0	-29.32	389.31	12.36	-16.96
CCC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059394	0	46	0.0	-25.69	385.23	12.42	-13.27
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C)=CC(F)=C2)C(=O)[O-])=C1	REAL300012059395	0	43	0.0	-27.73	379.60	11.87	-15.86
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C)C(C)=C2C)C(=O)[O-])=C1	REAL300012059396	0	49	0.0	-26.68	402.62	12.91	-13.77
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC=C2C(C)(C)C)C(=O)[O-])=C1	REAL300012059397	0	52	0.0	-24.43	393.62	12.95	-11.48
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C3CCCCCN23)C(=O)[O-])=C1	REAL300012059398	0	50	0.0	-30.45	407.80	11.54	-18.91
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CON=C2C2CC2)C(=O)[O-])=C1	REAL300012059399	0	43	0.0	-29.48	381.15	10.80	-18.68
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)N(C(C)C)N=C2)C(=O)[O-])=C1	REAL300012059400	0	49	0.0	-31.50	416.01	10.96	-20.54
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C3CC3)C(C)=C2)C(=O)[O-])=C1	REAL300012059401	0	50	0.0	-27.70	420.10	13.81	-13.89
CCOC1=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=CC=N1	REAL300012059402	0	46	0.0	-32.32	402.01	8.83	-23.49
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(C)C(C3CC3)=C2)C(=O)[O-])=C1	REAL300012059403	0	50	0.0	-27.62	418.81	13.76	-13.86
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])O1	REAL300012059404	0	41	0.0	-31.19	366.83	9.76	-21.43
COCCOC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])O1	REAL300012059405	0	48	0.0	-32.74	422.31	9.94	-22.80
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)N(C(C)C)N=C2C)C(=O)[O-])=C1	REAL300012059406	0	52	0.0	-29.55	434.38	11.43	-18.12
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NN(CCF)C=C2)C(=O)[O-])=C1	REAL300012059407	0	43	0.0	-32.73	384.06	9.89	-22.84
CCN1C=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C(C)=N1	REAL300012059408	0	46	0.0	-28.13	394.91	10.36	-17.77
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C)N=C2C2CC2)C(=O)[O-])=C1	REAL300012059409	0	47	0.0	-30.51	405.76	11.10	-19.41
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C3CC3)=NN2C)C(=O)[O-])=C1	REAL300012059410	0	47	0.0	-30.31	405.39	10.84	-19.47
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CON=C2C(C)C)C(=O)[O-])=C1	REAL300012059411	0	45	0.0	-28.64	389.98	10.44	-18.20
COC1=NC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1F	REAL300012059412	0	43	0.0	-27.87	385.74	7.94	-19.93
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN3C=CN=C3S2)C(=O)[O-])=C1	REAL300012059413	0	40	0.0	-36.60	370.45	11.14	-25.46
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)OC(C(C)(C)C)=C2)C(=O)[O-])=C1	REAL300012059414	0	52	0.0	-28.61	437.02	12.74	-15.87
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC(C)=C(C)S2)C(=O)[O-])=C1	REAL300012059415	1	42	0.0	-26.09	378.54	9.63	-16.46
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CSN=C2)C(=O)[O-])=C1	REAL300012059416	0	36	0.0	-30.63	336.25	8.79	-21.84
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC=C2CC(C)C)C(=O)[O-])=C1	REAL300012059417	0	52	0.0	-25.96	425.51	13.71	-12.25
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(CC(C)C)N=N2)C(=O)[O-])=C1	REAL300012059418	0	48	0.0	-36.66	410.42	9.97	-26.69
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC(C3CC3)=CS2)C(=O)[O-])=C1	REAL300012059419	1	43	0.0	-25.32	387.58	10.38	-14.94
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C(F)(F)F)=NN2)C(=O)[O-])=C1	REAL300012059420	0	40	0.0	-31.75	372.81	8.48	-23.27
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C3CCOC3=C2)C(=O)[O-])=C1	REAL300012059421	0	45	0.0	-31.81	388.92	11.03	-20.78
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NN(C)C=C2Cl)C(=O)[O-])=C1	REAL300012059422	0	40	0.0	-28.82	371.18	9.35	-19.47
CSC1=CC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059423	0	44	0.0	-30.02	391.96	12.16	-17.86
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C(C)C)C=NN2C)C(=O)[O-])=C1	REAL300012059424	0	49	0.0	-26.44	412.92	10.60	-15.84
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C)=NC(C)=C2)C(=O)[O-])=C1	REAL300012059425	0	45	0.0	-29.54	389.85	10.60	-18.94
CCCN1C=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C(C)=N1	REAL300012059426	0	49	0.0	-28.77	418.57	11.19	-17.58
CCN1C=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=N1	REAL300012059427	0	43	0.0	-32.19	377.47	9.76	-22.43
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=NC=CC=C3O2)C(=O)[O-])=C1	REAL300012059428	0	42	0.0	-33.49	375.69	9.91	-23.58
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(CC3CC3)S2)C(=O)[O-])=C1	REAL300012059430	0	47	0.0	-28.68	418.26	13.44	-15.24
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(OC3CC3)C=C2)C(=O)[O-])=C1	REAL300012059431	0	48	0.0	-28.77	412.29	12.12	-16.65
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059432	0	47	0.0	-39.40	409.54	9.46	-29.94
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C3CCC3)=NN2)C(=O)[O-])=C1	REAL300012059433	0	47	0.0	-30.20	400.18	10.09	-20.11
CCCN1C=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=N1	REAL300012059434	0	46	0.0	-32.01	398.97	10.52	-21.49
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NN(C(C)C)C=C2)C(=O)[O-])=C1	REAL300012059435	0	46	0.0	-30.66	394.00	10.21	-20.45
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=CC(C(C)(C)C)=C2)C(=O)[O-])=C1	REAL300012059436	0	51	0.0	-30.14	424.48	11.68	-18.46
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC3=C(CCCC3)N2C)C(=O)[O-])=C1	REAL300012059437	0	50	0.0	-25.05	414.46	11.81	-13.24
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC3=C2COCC3)C(=O)[O-])=C1	REAL300012059438	0	48	0.0	-27.25	398.46	11.15	-16.10
COC1=NN(C)C=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059439	0	44	0.0	-27.16	386.62	6.85	-20.31
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=C(CCCC3)O2)C(=O)[O-])=C1	REAL300012059441	1	47	0.0	-29.38	396.03	11.97	-17.41
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C(=O)[O-])=C1	REAL300012059442	0	42	0.0	-36.65	387.72	11.93	-24.72
COC1=CC(C)=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=N1	REAL300012059444	0	46	0.0	-27.70	390.46	8.35	-19.35
COC1=CC(C)=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1O	REAL300012059445	0	48	0.0	-31.68	408.09	8.92	-22.76
COC1=NC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=CC=C1C	REAL300012059446	0	46	0.0	-26.11	400.41	8.57	-17.54
CCCN1C=NC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059447	0	46	0.0	-29.38	387.36	11.89	-17.49
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012059448	0	40	0.0	-40.20	354.53	8.03	-32.17
CCC1=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=NN1CC	REAL300012059449	0	49	0.0	-28.97	407.96	10.90	-18.07
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C3CC3)=NN2)C(=O)[O-])=C1	REAL300012059450	0	44	0.0	-30.27	384.66	9.64	-20.63
COC1=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=CS1	REAL300012059451	0	41	0.0	-28.37	374.61	9.60	-18.77
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(C(C)(F)F)=C2)C(=O)[O-])=C1	REAL300012059452	0	46	0.0	-30.37	404.96	12.67	-17.70
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(F)=CC(F)=C2F)C(=O)[O-])=C1	REAL300012059453	0	40	0.0	-25.80	368.99	11.32	-14.48
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(C(C)(C)C)=NN2)C(=O)[O-])=C1	REAL300012059454	0	49	0.0	-29.49	413.72	9.97	-19.52
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059455	0	47	0.0	-25.42	398.03	12.98	-12.44
CSC1=CC(Cl)=CC(CC([NH2+]CC=CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012059456	0	44	0.0	-30.90	384.11	12.48	-18.42
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=NN2C2CC2)C(=O)[O-])=C1	REAL300012059457	0	43	0.0	-29.81	378.22	9.16	-20.65
COCC1=CC=CC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059458	0	47	0.0	-26.40	398.18	10.98	-15.42
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C3CCOCC3=C2)C(=O)[O-])=C1	REAL300012059459	0	48	0.0	-28.92	405.49	11.23	-17.69
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(CCO)N=C2)C(=O)[O-])=C1	REAL300012059460	0	44	0.0	-32.80	387.51	6.45	-26.35
CSC1=CC(Cl)=CC(CC([NH2+]CC=CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300012059461	0	43	0.0	-32.94	379.12	10.71	-22.23
C=CC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1	REAL300012059462	0	44	0.0	-27.27	382.03	12.20	-15.07
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC=C2C(C)(F)F)C(=O)[O-])=C1	REAL300012059463	0	46	0.0	-31.76	393.66	12.69	-19.07
CCN1C=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012059464	0	50	0.0	-28.56	429.48	12.03	-16.53
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CON=C2C(C)(C)C)C(=O)[O-])=C1	REAL300012059465	0	48	0.0	-32.73	400.71	10.94	-21.79
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=CN=CC=C3C=C2)C(=O)[O-])=C1	REAL300012059466	0	45	0.0	-32.36	394.06	11.66	-20.70
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C3OC(C)=CC3=CC=C2)C(=O)[O-])=C1	REAL300012059467	0	46	0.0	-31.81	402.30	12.34	-19.47
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CON=C2C2CCC2)C(=O)[O-])=C1	REAL300012059468	0	46	0.0	-29.37	397.77	11.27	-18.10
CCN1C=C(Cl)C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=N1	REAL300012059469	0	43	0.0	-27.67	394.08	10.25	-17.42
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(C(F)F)=C2)C(=O)[O-])=C1	REAL300012059470	0	43	0.0	-32.40	385.91	12.08	-20.32
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012059471	0	37	0.0	-29.71	358.79	10.71	-19.00
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)N(C3CCC3)N=C2)C(=O)[O-])=C1	REAL300012059472	0	50	0.0	-27.69	420.52	11.67	-16.02
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=NN2CC(F)F)C(=O)[O-])=C1	REAL300012059473	0	43	0.0	-29.50	385.73	9.83	-19.67
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(F)C=CN=C2Cl)C(=O)[O-])=C1	REAL300012059474	0	39	0.0	-27.38	367.59	9.79	-17.59
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(F)C=NC=C2N(C)C)C(=O)[O-])=C1	REAL300012059475	0	47	0.0	-24.59	405.57	9.25	-15.34
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NN(C3CCC3)C=C2)C(=O)[O-])=C1	REAL300012059476	0	47	0.0	-31.50	401.29	10.86	-20.64
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NN(CC(F)F)C=C2)C(=O)[O-])=C1	REAL300012059477	0	43	0.0	-36.19	389.32	10.08	-26.11
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NC(C)=CN2C)C(=O)[O-])=C1	REAL300012059478	0	43	0.0	-33.28	373.36	10.10	-23.18
CSC1=CC(Cl)=CC(CC([NH2+]CC2=NN(C3CCCC3)C=C2)C(=O)[O-])=C1	REAL300012059479	0	50	0.0	-30.89	418.85	11.54	-19.35
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CSN=C2C)C(=O)[O-])=C1	REAL300012059480	0	39	0.0	-27.92	351.78	9.32	-18.60
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC=C2C(F)F)C(=O)[O-])=C1	REAL300012059481	0	43	0.0	-29.42	373.97	12.06	-17.36
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=CNN=C3C=C2)C(=O)[O-])=C1	REAL300012059482	0	43	0.0	-32.05	377.16	9.82	-22.23
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC(F)=C2C)C(=O)[O-])=C1	REAL300012059483	0	43	0.0	-28.47	368.17	11.67	-16.80
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059484	0	45	0.0	-35.07	402.84	11.01	-24.06
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(Cl)N=C2C)C(=O)[O-])=C1	REAL300012059485	0	42	0.0	-29.96	374.90	10.25	-19.71
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059486	0	46	0.0	-29.46	398.32	9.39	-20.07
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C(C)C)C=N2)C(=O)[O-])=C1	REAL300012059487	0	46	0.0	-32.36	395.24	11.70	-20.66
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)ON=C2C2CC2)C(=O)[O-])=C1	REAL300012059488	0	46	0.0	-29.67	401.00	11.55	-18.12
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(OC(C)C)O2)C(=O)[O-])=C1	REAL300012059489	0	47	0.0	-30.73	408.97	11.41	-19.32
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC(F)=CC(C#N)=C2)C(=O)[O-])=C1	REAL300012059490	0	41	0.0	-34.83	380.36	11.64	-23.19
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059491	0	48	0.0	-33.07	411.20	11.80	-21.27
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C3CCC3)N=C2C)C(=O)[O-])=C1	REAL300012059492	0	50	0.0	-27.91	419.49	11.52	-16.39
COC1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C(C)=N1	REAL300012059493	0	46	0.0	-28.74	390.19	8.30	-20.44
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)SN=C2)C(=O)[O-])=C1	REAL300012059494	0	39	0.0	-29.30	353.65	9.53	-19.77
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)ON=C2)C(=O)[O-])=C1	REAL300012059495	0	39	0.0	-28.52	348.29	9.44	-19.08
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C(CF)C=C2)C(=O)[O-])=C1	REAL300012059496	0	43	0.0	-30.00	381.05	12.01	-17.99
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=C3SC=CC3=C2)C(=O)[O-])=C1	REAL300012059497	0	43	0.0	-29.11	388.67	12.52	-16.59
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC=C2CO)C(=O)[O-])=C1	REAL300012059498	0	44	0.0	-27.55	375.09	8.55	-19.00
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)SN=C2C)C(=O)[O-])=C1	REAL300012059499	0	42	0.0	-27.43	374.61	10.00	-17.43
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C(C)(C)C)ON=C2)C(=O)[O-])=C1	REAL300012059500	0	48	0.0	-25.27	394.58	11.08	-14.19
C=CCN1C=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=N1	REAL300012059501	0	44	0.0	-28.53	388.06	10.34	-18.19
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC3=NNC=C3C=C2)C(=O)[O-])=C1	REAL300012059502	0	43	0.0	-31.73	379.32	9.90	-21.83
CCC(C)C1=CC=C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])C=C1	REAL300012059503	0	52	0.0	-27.51	431.74	13.78	-13.73
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CC=CC3=C2CCCC3)C(=O)[O-])=C1	REAL300012059504	0	50	0.0	-26.47	408.41	13.54	-12.93
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)C3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300012059505	0	49	0.0	-28.10	410.04	13.92	-14.18
CSC1=CC(Cl)=CC(CC([NH2+]CC2=C(C)SC(C)=N2)C(=O)[O-])=C1	REAL300012059506	0	42	0.0	-23.50	375.39	9.49	-14.01
CCCN1N=CC(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1C	REAL300012059507	0	49	0.0	-30.68	415.59	10.97	-19.71
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CC(Cl)=CC(SC)=C2)C(=O)[O-])=C1	REAL300012059508	0	47	0.0	-37.28	413.70	11.27	-26.01
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CC(Cl)=CC(SC)=C1)C(=O)[O-]	REAL300012059509	0	49	0.0	-27.60	410.70	10.90	-16.70
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN(C)N=C2C2CCC2)C(=O)[O-])=C1	REAL300012059510	0	50	0.0	-29.94	421.14	11.51	-18.43
CSC1=CC(Cl)=CC(CC([NH2+]CC2=CN=C(C(C)(C)C)O2)C(=O)[O-])=C1	REAL300012059511	1	48	0.0	-30.62	410.94	8.63	-21.99
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(C)=C1	REAL300012059512	0	52	0.0	-69.39	377.95	9.81	-59.58
CC1=CC=C(C)C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059513	0	52	0.0	-71.53	379.23	10.10	-61.43
CC(C)[C@H]([NH2+]CC1=CC2=CC=CN=C2C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059514	0	51	0.0	-69.22	387.20	9.07	-60.15
CC(C)[C@H]([NH2+]CC1CC2C=CC1C2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059515	0	51	0.0	-70.92	360.85	9.12	-61.80
CC(C)[C@H]([NH2+]CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059516	0	52	0.0	-65.68	367.16	9.04	-56.64
CC(C)[C@H]([NH2+]CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059517	0	58	0.0	-71.71	419.48	11.10	-60.61
CC(C)[C@H]([NH2+]CC1=CC=C(Br)O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059518	0	43	0.0	-71.58	348.84	7.69	-63.89
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059519	0	56	0.0	-76.20	424.02	10.55	-65.65
CCOC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1OC	REAL300012059520	0	57	0.0	-78.45	423.58	8.85	-69.60
CCCCCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059521	0	62	0.0	-67.62	463.74	11.28	-56.34
CC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1C	REAL300012059522	0	52	0.0	-71.49	375.50	9.99	-61.50
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1C	REAL300012059523	0	52	0.0	-71.78	382.38	9.96	-61.82
CCCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1OC	REAL300012059524	0	60	0.0	-78.35	446.07	9.68	-68.67
C=CCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1OC	REAL300012059525	0	58	0.0	-78.68	436.48	9.43	-69.25
CC(C)[C@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059526	0	56	0.0	-73.66	430.60	10.51	-63.15
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(Cl)=C1	REAL300012059527	0	50	0.0	-67.54	386.89	8.46	-59.08
CC(C)[C@H]([NH2+]CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059528	0	50	0.0	-77.44	390.03	8.56	-68.88
CC(C)[C@H]([NH2+]CC1=CC=CC(C#N)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059529	0	47	0.0	-83.43	364.83	9.14	-74.29
CC(C)[C@H]([NH2+]CC1=CSC2=CC=CC=C12)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059530	0	49	0.0	-65.80	383.12	10.14	-55.66
CC(C)[C@H]([NH2+]CC1=CC2=CC=CC=C2OC1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059531	0	52	0.0	-75.48	388.96	9.17	-66.31
CC1=CC=C(C2=CC=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)O2)C=C1	REAL300012059532	0	56	0.0	-72.25	424.56	11.23	-61.02
CC(C)[C@H]([NH2+]CC1=CC=C(Cl)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059533	0	43	0.0	-72.37	349.25	8.45	-63.92
CC(C)[C@H]([NH2+]CC1=CC=CC2=CC=CN=C21)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059534	0	51	0.0	-70.24	382.98	9.31	-60.93
CC(C)[C@H]([NH2+]CC1=CC=C(N2C=CC=N2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059535	0	53	0.0	-77.28	404.74	10.03	-67.25
CC(C)[C@H]([NH2+]CC1=CC=C(N2C=NC=N2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059536	0	52	0.0	-79.88	399.68	11.35	-68.53
CCC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)O1	REAL300012059537	0	49	0.0	-68.45	370.53	8.56	-59.89
CC(C)[C@H]([NH2+]CC1=CC(F)=CC=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059538	0	46	0.0	-69.03	357.51	8.93	-60.10
CC(C)[C@H]([NH2+]CC1=CC=C(F)C=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059539	0	46	0.0	-69.69	363.86	9.24	-60.45
CC(C)[C@H]([NH2+]CC1=CC=C(F)C(Cl)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059540	0	46	0.0	-80.01	365.57	9.29	-70.72
CC(C)[C@H]([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059541	0	49	0.0	-78.51	392.25	9.74	-68.77
CCOC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059542	0	53	0.0	-74.23	395.33	8.98	-65.25
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1F	REAL300012059543	0	49	0.0	-77.17	370.69	9.47	-67.70
CC(C)[C@H]([NH2+]CC1=CC(Cl)=CC=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059544	0	46	0.0	-67.23	371.48	9.66	-57.57
CC(C)[C@H]([NH2+]CC1=CC(F)=C(F)C(F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059545	0	46	0.0	-85.01	360.75	8.89	-76.12
CC(C)[C@H]([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059546	0	49	0.0	-76.35	391.85	9.91	-66.44
CC(C)[C@H]([NH2+]CC1=CC(C(F)(F)F)=CC=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059547	0	49	0.0	-72.86	386.25	9.77	-63.09
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(Cl)=C1OC	REAL300012059548	0	54	0.0	-76.33	415.20	8.34	-67.99
CC(C)[C@H]([NH2+]CC1=CC2=CC=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059549	0	49	0.0	-69.78	383.55	10.25	-59.53
CC(C)[C@H]([NH2+]CC1=CC=C(Cl)C(F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059550	0	46	0.0	-80.08	366.57	9.33	-70.75
CC(C)[C@H]([NH2+]CC1=CC=CN=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059551	1	45	0.0	-71.79	353.36	7.45	-64.34
COCCOC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059552	0	57	0.0	-75.53	428.96	8.26	-67.27
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1Cl	REAL300012059553	0	50	0.0	-77.29	389.50	8.61	-68.68
CC(C)[C@H]([NH2+]CC1=CSC(C2=CC=CC=N2)=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059554	1	51	0.0	-77.40	406.39	7.63	-69.77
CC(C)[C@H]([NH2+]CC1=CC=CC2=C1OCCO2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059555	0	52	0.0	-60.56	388.95	7.92	-52.64
CC(C)[C@H]([NH2+]CC1=CC=CC2=C1OCCCO2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059556	0	55	0.0	-72.88	398.84	8.80	-64.08
CCCOC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059557	0	56	0.0	-65.00	420.79	9.72	-55.28
CC(C)[C@H]([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059558	0	53	0.0	-74.30	410.02	11.56	-62.74
CC(C)[C@H]([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059559	0	60	0.0	-73.56	437.47	11.06	-62.50
CC(C)OC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059560	0	56	0.0	-65.06	418.63	9.60	-55.46
CC(C)C1=NC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CS1	REAL300012059561	1	51	0.0	-67.27	394.15	7.87	-59.40
CC(C)[C@H]([NH2+]CC1=CSC(C(C)(C)C)=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059562	1	54	0.0	-68.45	409.67	8.27	-60.18
CC(C)[C@H]([NH2+]CC1=CSC(C2=CSC=C2)=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059563	1	49	0.0	-69.42	398.79	8.39	-61.03
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)OC=C1	REAL300012059564	0	46	0.0	-69.27	340.62	7.37	-61.90
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CN=C1Cl	REAL300012059565	0	48	0.0	-77.16	376.88	8.06	-69.10
CC(C)[C@H]([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059566	0	51	0.0	-63.97	398.44	9.48	-54.49
CCC1=CC=C(C2=CC=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)O2)C=C1	REAL300012059567	0	59	0.0	-70.89	449.29	12.05	-58.84
COC1=CC=C2OC(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)=CC2=C1	REAL300012059568	0	53	0.0	-73.91	403.74	8.64	-65.27
CC(C)[C@H]([NH2+]CC=CC1=CC=C(Cl)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059569	0	50	0.0	-69.93	389.25	10.25	-59.68
CC(C)[C@H]([NH2+]CC1=COC2=CC=CC=C12)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059570	0	49	0.0	-72.12	371.71	9.12	-63.00
CC(C)[C@H]([NH2+]CC1=CC=C(OC2=CC=CC=C2)O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059571	0	54	0.0	-71.09	410.99	10.33	-60.76
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1Br	REAL300012059572	0	49	0.0	-75.59	382.47	9.91	-65.68
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)N=C1	REAL300012059573	0	48	0.0	-69.27	360.44	7.59	-61.68
CC(C)[C@H]([NH2+]CC=CC1=CC=C(F)C=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059574	0	50	0.0	-72.25	389.35	10.23	-62.02
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1Br	REAL300012059575	0	49	0.0	-76.45	383.46	9.95	-66.50
CC(C)[C@H]([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059576	1	53	0.0	-71.10	405.27	9.95	-61.15
CC(C)[C@H]([NH2+]CC1=C(Cl)SC=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059577	0	43	0.0	-65.83	348.80	7.90	-57.93
CC(C)[C@H]([NH2+]CC1=CC(Cl)=CC2=C1OCC2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059578	0	51	0.0	-61.63	398.53	9.06	-52.57
CC(C)[C@H]([NH2+]CC1=CC2=C(F)C=CC=C2N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059579	0	50	0.0	-74.89	383.01	8.38	-66.51
CC(C)[C@H]([NH2+]CC1=CC2=CC=C(F)C=C2N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059580	0	50	0.0	-79.18	380.12	8.70	-70.48
CCOC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=N1	REAL300012059581	0	52	0.0	-71.66	395.22	6.34	-65.32
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC2=CC=CN=C12	REAL300012059582	0	54	0.0	-75.92	407.54	10.05	-65.87
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1Cl	REAL300012059583	0	49	0.0	-76.39	379.43	9.86	-66.53
CC(C)[C@H]([NH2+]CC1=CN=C2C=CSC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059584	0	48	0.0	-75.89	378.25	8.31	-67.58
CCCC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059585	0	55	0.0	-71.90	408.36	10.97	-60.93
CCN(CC)C1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1F	REAL300012059586	0	60	0.0	-76.95	443.24	9.82	-67.13
COC1=CC=C2N=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)SC2=C1	REAL300012059587	0	52	0.0	-76.46	406.00	7.73	-68.73
CC(C)[C@H]([NH2+]CC1=NC2=CC=C(Cl)C=C2N1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059588	1	52	0.0	-76.32	410.18	9.62	-66.70
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1C#N	REAL300012059589	0	51	0.0	-84.67	393.68	8.47	-76.20
CC(C)[C@H]([NH2+]CC1=CC=C(SC(F)F)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059590	0	50	0.0	-76.34	392.78	10.00	-66.34
CC(C)[C@H]([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059591	0	50	0.0	-82.71	389.84	8.56	-74.15
CCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)N=C1	REAL300012059592	0	52	0.0	-71.70	390.44	7.12	-64.58
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059593	0	52	0.0	-77.33	394.03	10.08	-67.25
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC(Cl)=C1OC	REAL300012059594	0	54	0.0	-80.43	421.62	8.50	-71.93
CCCOC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1OC	REAL300012059595	0	60	0.0	-78.20	445.07	9.65	-68.55
CC(C)[C@H]([NH2+]CC1=CC=C(Br)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059596	0	43	0.0	-72.36	353.88	8.55	-63.81
C=CCOC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059597	0	54	0.0	-74.57	408.23	9.58	-64.99
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC(C)=C1OC(F)F	REAL300012059598	0	56	0.0	-78.36	421.59	9.90	-68.46
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC2=C1OCCO2	REAL300012059599	0	56	0.0	-76.23	420.08	7.85	-68.38
CC1=CC(C)=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1C	REAL300012059600	0	55	0.0	-63.49	398.74	10.53	-52.96
CC(C)[C@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059601	0	53	0.0	-73.82	411.82	11.76	-62.06
CC(C)[C@H]([NH2+]CC1CCC(C)CC1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059602	0	55	0.0	-72.03	379.34	9.67	-62.36
CC(C)[C@H]([NH2+]CC(C)CCC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059603	0	58	0.0	-67.73	425.18	11.73	-56.00
CCC1CCCC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C1	REAL300012059604	0	58	0.0	-63.47	394.44	9.75	-53.72
CC(C)[C@H]([NH2+]CC1=NC2=C(CC(C)(C)CC2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059605	1	58	0.0	-72.38	427.70	9.59	-62.79
CC1=C(C)C=C2OC(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)=CC2=C1	REAL300012059606	0	55	0.0	-72.12	412.57	10.56	-61.56
CCCC1CCC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)CC1	REAL300012059607	0	61	0.0	-69.78	418.77	11.03	-58.75
CC(C)[C@H]([NH2+]CC1CCCCC1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059608	0	55	0.0	-66.50	384.95	9.67	-56.83
CC(C)[C@H]([NH2+]CC1=CC=C(N2C=CN=C2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059609	0	53	0.0	-82.43	399.99	11.15	-71.28
CC(C)[C@H]([NH2+]CC1=CC=C(C2=CC=CC=C2F)O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059610	0	53	0.0	-70.10	414.07	10.71	-59.39
CC(C)[C@H]([NH2+]CC1=CC(Cl)=C2OCCOC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059611	0	52	0.0	-75.63	408.90	8.20	-67.43
COC1=CC=C(C)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059612	0	53	0.0	-58.56	395.57	8.74	-49.82
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1F	REAL300012059613	0	50	0.0	-79.25	379.70	8.13	-71.12
CC(C)[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059614	0	55	0.0	-74.68	395.70	9.96	-64.72
CC(C)[C@H]([NH2+]CC1CCOC(C(C)C)C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059615	0	59	0.0	-74.28	413.23	9.00	-65.28
CC(C)[C@H]([NH2+]CC1CCC(C)(C)CC1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059616	0	58	0.0	-64.99	401.18	9.97	-55.02
CCSC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059617	0	53	0.0	-64.61	409.60	10.55	-54.06
CC(C)[C@H]([NH2+]CC1=C(O)C=CC(Cl)=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059618	1	47	0.0	-72.97	377.16	6.42	-66.55
CCN1N=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C2=CC=CC=C21	REAL300012059619	0	55	0.0	-70.02	414.86	9.51	-60.51
CCCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059620	0	56	0.0	-75.20	416.88	9.79	-65.41
CC(C)[C@H]([NH2+]CC1=CC2=CC=CC=C2O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059621	0	49	0.0	-72.15	374.27	9.35	-62.80
CC(C)[C@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059622	0	53	0.0	-71.13	406.64	10.72	-60.41
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300012059623	0	60	0.0	-78.35	442.43	9.49	-68.86
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300012059624	0	51	0.0	-87.00	390.70	10.07	-76.93
CC(C)OC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059625	0	56	0.0	-74.43	412.16	9.63	-64.80
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1F	REAL300012059626	0	49	0.0	-77.81	370.69	9.46	-68.35
CC(C)[C@H]([NH2+]CC1=C2NC=CC2=CC=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059627	0	50	0.0	-73.88	373.06	8.81	-65.07
CC(C)[C@H]([NH2+]CC1=C(Br)C=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059628	0	43	0.0	-64.62	354.32	8.43	-56.19
CC(C)CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059629	0	58	0.0	-71.65	424.11	11.42	-60.23
CC1=CC=C(C2=CC=CC(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)=C2)C=C1	REAL300012059630	0	59	0.0	-76.27	439.02	12.99	-63.28
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300012059631	0	52	0.0	-87.56	399.50	9.50	-78.06
CC(C)[C@H]([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059632	0	46	0.0	-78.62	376.95	9.94	-68.68
CC(C)[C@H]([NH2+]CC1=CC(F)=CC(Cl)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059633	0	46	0.0	-68.58	369.23	9.29	-59.29
CC(C)[C@H]([NH2+]CC1=CC(Br)=CO1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059634	0	43	0.0	-75.76	346.81	7.70	-68.06
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059635	0	59	0.0	-74.88	439.43	12.97	-61.91
CC(C)[C@H]([NH2+]CC1=CC=CC(OC(F)F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059636	0	50	0.0	-77.72	382.23	8.31	-69.41
CCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1OCC	REAL300012059637	0	60	0.0	-78.40	446.43	9.80	-68.60
CC(C)[C@H]([NH2+]CC1=CC=C(Cl)C=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059638	0	46	0.0	-71.75	367.40	9.27	-62.48
CC(C)[C@H]([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059639	0	50	0.0	-78.21	389.97	8.55	-69.66
CC(C)[C@H]([NH2+]CC1=CC(Cl)=CC=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059640	0	46	0.0	-67.56	367.39	9.26	-58.30
CC(C)[C@H]([NH2+]CC1=CC(F)=CC(F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059641	0	46	0.0	-72.64	354.95	8.58	-64.06
CC(C)[C@H]([NH2+]CC1=CC=CC(Cl)=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059642	0	46	0.0	-78.47	365.98	9.39	-69.08
CC(C)[C@H]([NH2+]CC1=CC=CC(F)=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059643	0	46	0.0	-79.98	356.09	8.95	-71.03
CC(C)[C@H]([NH2+]CC1=NC2=CC=CC=C2N1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059644	1	52	0.0	-76.66	389.79	9.27	-67.39
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=N1	REAL300012059645	0	49	0.0	-74.82	373.43	5.52	-69.30
CC(C)[C@H]([NH2+]CC1=CC=C2OCCC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059646	0	51	0.0	-72.56	382.27	8.67	-63.89
CC(C)[C@H]([NH2+]CC1=CSC(Br)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059647	0	43	0.0	-71.48	358.02	8.51	-62.97
CC(C)[C@H]([NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059648	0	56	0.0	-76.22	418.45	12.31	-63.91
CC(C)[C@H]([NH2+]CC1=CC=C(N2CCCC2)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059649	0	57	0.0	-66.95	420.02	8.62	-58.33
CC(C)[C@H]([NH2+]CC1=C2C=CNC2=CC=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059650	0	50	0.0	-63.79	377.23	8.73	-55.06
CC1=NC(C)=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)S1	REAL300012059651	0	48	0.0	-66.22	372.24	7.22	-59.00
CC(C)[C@H]([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059652	0	55	0.0	-73.84	415.95	10.78	-63.06
CC(C)[C@H]([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059653	0	55	0.0	-78.72	413.46	10.54	-68.18
CC(C)[C@H]([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059654	0	55	0.0	-79.77	413.65	10.56	-69.21
CC(C)[C@H]([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059655	0	55	0.0	-76.14	427.60	7.30	-68.84
CNC(=O)C1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059656	0	53	0.0	-85.26	399.43	7.02	-78.24
CC(C)[C@H]([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059657	0	53	0.0	-68.31	411.45	10.04	-58.27
CC(C)[C@H]([NH2+]CC1=CC2=CC=CC=C2C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059658	0	52	0.0	-67.37	392.19	10.96	-56.41
COC1=C2OC(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)=CC2=CC=C1	REAL300012059659	0	53	0.0	-74.35	403.76	8.65	-65.70
CC(C)C1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300012059660	0	57	0.0	-87.77	427.60	11.10	-76.67
COC1=CC(OC)=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059661	0	54	0.0	-68.71	401.13	7.05	-61.66
COC1=CC2=CC=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)C=C2C=C1	REAL300012059662	0	56	0.0	-77.40	418.37	10.21	-67.19
CC(C)[C@H]([NH2+]CC1=CC(Br)=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059664	0	43	0.0	-65.15	357.85	8.44	-56.71
CC(C)[C@H]([NH2+]CC1=CC=C(CSC(F)F)O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059665	0	50	0.0	-73.02	403.44	9.24	-63.78
CC(C)[C@H]([NH2+]CC1=CC2=CC=CC=C2NC1=O)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059666	0	52	0.0	-72.70	394.33	8.04	-64.66
CC(C)[C@H]([NH2+]CC1=CC=C(N2CCCCC2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059668	0	61	0.0	-69.56	440.45	10.21	-59.35
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1SC	REAL300012059669	0	54	0.0	-78.49	412.88	9.11	-69.38
CC(C)[C@H]([NH2+]CC1=CC=CC(OCCCC#N)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059670	0	57	0.0	-72.08	441.63	10.24	-61.84
C=CCC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC(OC)=C1O	REAL300012059671	0	58	0.0	-74.37	441.26	7.98	-66.39
CC(C)[C@H]([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059672	0	53	0.0	-81.44	402.68	8.71	-72.73
CC(C)[C@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059673	1	52	0.0	-78.63	396.39	8.74	-69.89
CC(C)[C@H]([NH2+]CC1=NC(C2=CC=CC=C2)=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059674	1	52	0.0	-61.32	409.36	9.52	-51.80
CC(C)[C@H]([NH2+]CC1=CC=C2C(=C1)N=CN2C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059675	0	52	0.0	-76.09	394.53	10.08	-66.01
C=CCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1Cl	REAL300012059676	0	54	0.0	-77.52	424.26	10.12	-67.40
CC(C)[C@H]([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059677	0	52	0.0	-74.08	407.94	9.69	-64.39
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C2OC(C)CC2=C1	REAL300012059678	0	58	0.0	-73.14	429.69	8.77	-64.37
CC(C)[C@H]([NH2+]CC1=CC=C2OC(C)(C)CC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059679	0	57	0.0	-72.58	423.76	10.09	-62.49
CC(C)[C@H]([NH2+]CC1=COC(C2=CC=CC=C2)=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059680	1	52	0.0	-74.53	401.01	7.35	-67.18
CC(C)[C@H]([NH2+]CC1=CSC(C2=CC=CS2)=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059681	1	49	0.0	-69.70	402.86	8.65	-61.05
CC1=CC=C(F)C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059682	0	49	0.0	-67.34	372.53	9.53	-57.81
CC1=CC=C(F)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059683	0	49	0.0	-74.28	364.23	9.50	-64.78
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(Br)=C1	REAL300012059684	0	49	0.0	-65.51	381.02	9.96	-55.55
CC1=NC=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059685	0	48	0.0	-74.93	351.91	7.36	-67.57
CC(C)COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059686	0	59	0.0	-74.92	436.99	10.48	-64.44
COCCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059687	0	57	0.0	-69.59	432.88	8.19	-61.40
CC(C)[C@H]([NH2+]CC1CCCC(C)(C)C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059688	0	58	0.0	-69.25	398.00	9.86	-59.39
COC1=CC2=C(C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C)OCO2	REAL300012059689	0	53	0.0	-72.76	396.90	6.62	-66.14
CC(C)COC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059690	0	59	0.0	-73.90	436.93	10.48	-63.42
CC1=CC(Cl)=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059691	0	49	0.0	-73.04	370.62	9.53	-63.51
CC(C)[C@H]([NH2+]CC=CC1=CC=C(F)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059692	0	50	0.0	-74.08	384.53	10.26	-63.82
CC(C)[C@H]([NH2+]CC1=CC=C(Cl)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059693	0	45	0.0	-80.81	354.62	7.31	-73.50
CC(C)[C@H]([NH2+]CC1=CN=CC(Br)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059694	0	45	0.0	-68.42	362.26	7.53	-60.89
CC(C)[C@H]([NH2+]CC1=CC=C2C(=C1)N=NN2C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059695	0	51	0.0	-80.41	390.29	7.30	-73.11
CC(C)[C@H]([NH2+]CC1CCCCCC1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059696	0	55	0.0	-66.80	378.32	9.59	-57.21
CC(C)[C@H]([NH2+]CC1=CC=CC2=C1OC(C)(C)C2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059697	0	57	0.0	-64.91	421.75	10.11	-54.80
COC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=N1	REAL300012059698	0	49	0.0	-71.89	373.36	5.41	-66.48
CC(C)[C@H]([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059699	0	53	0.0	-75.56	402.65	10.10	-65.46
CC(C)[C@H]([NH2+]CC1=CN(C(C)C)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059700	0	52	0.0	-70.35	389.23	7.95	-62.40
CC1=NC2=CC=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)C=C2C=C1	REAL300012059701	0	54	0.0	-76.77	409.02	9.81	-66.96
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1N1C=NC=N1	REAL300012059702	0	55	0.0	-83.67	416.99	12.31	-71.36
CC(C)[C@H]([NH2+]CC1=CC2=CC(F)=CC=C2O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059703	0	49	0.0	-72.33	380.45	9.31	-63.02
CC(C)[C@H]([NH2+]CC1=CC=C(OCC(F)F)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059704	0	53	0.0	-80.73	408.40	9.31	-71.42
COCC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059705	0	53	0.0	-73.77	399.03	8.48	-65.29
COC1=CC(C)=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1OC	REAL300012059706	0	57	0.0	-74.89	412.61	8.20	-66.69
CC(C)[C@H]([NH2+]CC1=NC2=CC(Cl)=CC=C2N1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059707	1	52	0.0	-83.86	407.56	9.78	-74.08
CC(C)[C@H]([NH2+]CC1=NC2=C(CC(C)CC2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059708	1	55	0.0	-72.67	413.67	9.27	-63.40
CC(C)[C@H]([NH2+]CC1CCC(C(C)(C)C)CC1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059709	0	64	0.0	-70.37	427.00	11.03	-59.34
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C(C)O1	REAL300012059710	0	49	0.0	-67.92	363.20	8.29	-59.63
CC(C)[C@H]([NH2+]CC1=CC=C(OCC2CC2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059711	0	57	0.0	-75.40	425.99	10.55	-64.85
CC(C)CC1=NC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)S1	REAL300012059712	0	54	0.0	-74.73	410.83	8.89	-65.84
CC(C)[C@H]([NH2+]CC1=CN=C(C2=CC=CS2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059713	0	49	0.0	-71.62	405.95	8.65	-62.97
CC(C)[C@H]([NH2+]CC1=CN=C(C2=CSC=C2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059714	0	49	0.0	-71.53	402.55	8.80	-62.73
CC1=CC=C(C2=NC=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)S2)O1	REAL300012059715	0	52	0.0	-78.34	413.69	8.91	-69.43
CC1=CC(Br)=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059716	0	49	0.0	-73.20	375.21	9.64	-63.56
CC(C)[C@H]([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059717	0	55	0.0	-72.59	418.27	10.44	-62.15
CC(C)[C@H]([NH2+]CC1=C(Cl)OC2=CC=CC=C21)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059718	0	49	0.0	-73.56	388.18	9.72	-63.84
CC(C)[C@H]([NH2+]CC1=NC2=C(CCC2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059719	1	49	0.0	-73.63	374.98	8.10	-65.53
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059720	0	50	0.0	-75.42	373.53	8.06	-67.36
CC(C)[C@H]([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059721	0	53	0.0	-75.46	410.68	10.72	-64.74
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)O1	REAL300012059722	0	46	0.0	-67.71	348.82	7.67	-60.04
CC(C)[C@H]([NH2+]CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059723	0	46	0.0	-70.66	341.97	8.74	-61.92
CC(C)[C@H]([NH2+]CC1=CN=C(C(C)(C)C)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059724	0	54	0.0	-69.53	413.23	8.61	-60.92
CC(C)[C@H]([NH2+]CC1=CC=C2OCCOC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059725	0	52	0.0	-77.85	388.48	7.92	-69.93
CC(C)[C@H]([NH2+]CC1=CC=CC(Br)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059726	0	46	0.0	-65.46	369.22	9.31	-56.15
CC(C)[C@H]([NH2+]CC1=CC=CC(Cl)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059727	0	46	0.0	-76.03	360.70	9.27	-66.76
CC(C)[C@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059728	0	53	0.0	-67.75	405.04	9.97	-57.78
CC(C)[C@H]([NH2+]CC1=CN(C(C)(C)C)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059729	0	55	0.0	-71.32	409.12	8.66	-62.66
CC1=CC(C)=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059730	0	52	0.0	-65.82	384.95	9.77	-56.05
CC(C)[C@H]([NH2+]CC1=CC=C(CO)O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059731	0	47	0.0	-71.20	360.46	4.44	-66.76
CC(C)[C@H]([NH2+]CC1=CC=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059732	0	43	0.0	-70.11	333.50	7.88	-62.23
CC(=O)NC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059733	0	53	0.0	-79.87	400.05	7.63	-72.24
CC(C)[C@H]([NH2+]CC1=CC=CC=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059734	0	46	0.0	-66.56	357.44	9.17	-57.39
CC(C)[C@H]([NH2+]CC1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059735	0	48	0.0	-87.81	372.19	9.43	-78.38
CC(C)[C@H]([NH2+]CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059736	0	48	0.0	-78.34	376.10	9.36	-68.98
CC(C)[C@H]([NH2+]CC1=CC=C(N(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059737	0	54	0.0	-71.91	394.47	9.14	-62.77
CCN(CC)C1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059738	0	60	0.0	-70.97	438.09	11.04	-59.93
CC(C)[C@H]([NH2+]CC1=CC=C(Br)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059739	0	46	0.0	-76.59	365.32	9.39	-67.20
CC(C)[C@H]([NH2+]CC1=CC=C(Cl)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059740	0	46	0.0	-76.50	360.76	9.28	-67.22
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC(OC)=C1OC	REAL300012059741	0	58	0.0	-77.54	438.60	7.57	-69.97
CC(C)[C@H]([NH2+]CC1=CC=C(F)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059742	0	46	0.0	-77.54	349.37	8.81	-68.73
COC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1OC	REAL300012059743	0	54	0.0	-75.58	402.73	8.23	-67.35
CC(C)[C@H]([NH2+]CC1=CC=C(Cl)C=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059744	0	46	0.0	-68.95	374.19	9.68	-59.27
CC(C)[C@H]([NH2+]CC1=CC=C(N2CCOCC2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059745	0	59	0.0	-75.81	427.49	7.76	-68.05
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1OC	REAL300012059746	0	54	0.0	-78.56	402.72	7.96	-70.60
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(OC)=C1	REAL300012059747	0	54	0.0	-67.15	400.69	7.59	-59.56
CC(C)[C@H]([NH2+]CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059748	0	49	0.0	-69.88	384.82	9.71	-60.17
CC(C)[C@H]([NH2+]CC1=CC=C(F)C=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059749	0	46	0.0	-71.97	357.52	8.93	-63.04
CC(C)[C@H]([NH2+]CC1=CC=CC(Cl)=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059750	0	46	0.0	-76.04	370.77	9.81	-66.23
CC(C)[C@H]([NH2+]CC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059751	0	46	0.0	-78.82	375.89	9.73	-69.09
CC(C)[C@H]([NH2+]CC1CC=CCC1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059752	0	50	0.0	-72.94	357.04	9.20	-63.74
CC(C)[C@H]([NH2+]CC1=CC=C(OC(F)F)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059753	0	50	0.0	-76.83	383.28	8.34	-68.49
CCCCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059754	0	59	0.0	-75.08	438.38	10.57	-64.51
CC(C)CCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059755	0	62	0.0	-74.84	454.88	11.07	-63.77
CC(C)[C@H]([NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059756	0	57	0.0	-74.64	432.49	11.61	-63.03
COC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059757	0	50	0.0	-74.44	373.47	8.06	-66.38
CC(=CC1=CC=CC=C1)C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059758	0	53	0.0	-69.62	393.49	10.60	-59.02
CCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1OC	REAL300012059759	0	57	0.0	-78.36	423.57	8.85	-69.51
CC(C)C1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059760	0	55	0.0	-71.92	403.50	10.70	-61.22
CC(C)[C@H]([NH2+]CC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059761	0	49	0.0	-66.54	386.65	9.68	-56.86
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(OC)=C1OC	REAL300012059762	0	58	0.0	-78.74	437.30	8.21	-70.53
CCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059763	0	53	0.0	-75.36	395.39	8.99	-66.37
CC(C)[C@H]([NH2+]CC1=CC=CC=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059764	0	46	0.0	-69.35	350.62	8.75	-60.60
CC(C)[C@H]([NH2+]CC1=CC=CC(F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059765	0	46	0.0	-66.22	354.33	8.76	-57.46
COC1=CC=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059766	0	50	0.0	-64.34	371.24	8.30	-56.04
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)SC=C1	REAL300012059767	0	46	0.0	-65.32	355.16	8.42	-56.90
CC(C)[C@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059768	0	56	0.0	-69.19	422.10	12.11	-57.08
CC1=CC=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059769	0	49	0.0	-71.91	355.07	9.37	-62.54
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059770	0	49	0.0	-65.01	367.48	9.39	-55.62
CC(C)[C@H]([NH2+]CC1=CC=C(C#N)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059771	0	47	0.0	-74.77	368.74	9.09	-65.68
CSC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059772	0	50	0.0	-75.83	384.24	9.79	-66.04
COC1=CC(OC)=C(OC)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059773	0	58	0.0	-69.79	429.91	7.49	-62.30
CC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059774	0	49	0.0	-71.94	364.38	9.40	-62.54
CC(C)[C@H]([NH2+]CC1=CSC=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059775	0	43	0.0	-65.14	336.15	7.70	-57.44
CCC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059776	0	52	0.0	-70.53	385.80	10.11	-60.42
CC(C)[C@H]([NH2+]CC1=CC=C(F)C(F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059777	0	46	0.0	-76.83	360.63	8.81	-68.02
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)S1	REAL300012059778	0	46	0.0	-70.69	356.46	8.83	-61.86
CC(C)[C@H]([NH2+]CC1=CC=CC=C1Br)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059779	0	46	0.0	-65.56	359.59	9.30	-56.26
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1O	REAL300012059780	0	51	0.0	-77.83	384.23	5.90	-71.93
CCC1=NN(C)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059781	0	52	0.0	-76.94	385.16	7.81	-69.13
CC(C)[C@H]([NH2+]CC1=CN(CC(F)(F)F)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059782	0	49	0.0	-78.33	388.58	8.01	-70.32
CC(C)[C@H]([NH2+]CC1=CC=CN=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059783	0	45	0.0	-70.35	340.92	6.93	-63.42
CC(C)[C@H]([NH2+]CC1=CC=NC=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059784	0	45	0.0	-78.93	338.34	7.19	-71.74
CC(C)[C@H]([NH2+]CC1=CC=C(Cl)O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059785	0	43	0.0	-71.68	344.20	7.58	-64.10
CC(C)[C@H]([NH2+]CC1=CC=C(N(C)CCC#N)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059786	0	58	0.0	-72.63	442.07	10.55	-62.08
CCOC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1OC	REAL300012059787	0	57	0.0	-73.11	421.94	8.90	-64.21
CC1=NC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CS1	REAL300012059788	1	45	0.0	-67.50	352.95	6.55	-60.95
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC2=C1OCO2	REAL300012059789	0	53	0.0	-83.94	398.56	6.67	-77.27
COC1=CC2=C(C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C)OC(C)C2	REAL300012059791	0	58	0.0	-69.80	428.04	8.73	-61.07
CC(C)[C@H]([NH2+]CC1=CN(C)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059792	0	46	0.0	-72.64	349.17	6.65	-65.99
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1C	REAL300012059794	0	53	0.0	-74.75	393.55	8.80	-65.95
CC(C)[C@H]([NH2+]CC1=NC=CN1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059795	1	46	0.0	-73.30	344.02	7.29	-66.01
COC1=CC=C(F)C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059796	0	50	0.0	-67.63	380.59	8.15	-59.48
CSC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)S1	REAL300012059797	0	47	0.0	-73.49	377.87	9.25	-64.24
CC(C)[C@H]([NH2+]CC1=CC=CC2=C1OCO2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059798	0	49	0.0	-77.08	370.40	7.55	-69.53
CC(C)[C@H]([NH2+]CC1=CN=CN=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059799	0	44	0.0	-78.86	332.54	6.68	-72.18
CC(C)[C@H]([NH2+]CC1=C(Cl)C=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059800	0	43	0.0	-64.72	350.66	8.38	-56.34
CC(C)[C@H]([NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059801	0	52	0.0	-75.68	406.77	6.23	-69.45
COC1=CC=C(F)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059802	0	50	0.0	-71.03	377.53	8.21	-62.82
CC(C)[C@H]([NH2+]CC1=CC=C(C(N)=O)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059803	0	50	0.0	-85.07	378.57	5.54	-79.53
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1F	REAL300012059804	0	50	0.0	-73.02	383.66	8.06	-64.96
COC1=CC=C(Cl)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059805	0	50	0.0	-70.09	387.88	8.66	-61.43
CC(C)[C@H]([NH2+]CC1=CN=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059806	0	42	0.0	-66.45	330.94	6.00	-60.45
CC(C)[C@H]([NH2+]CC1=CN=CN1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059807	0	46	0.0	-72.52	344.77	7.50	-65.02
COC(=O)C1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CN1C	REAL300012059808	0	53	0.0	-78.52	403.66	9.10	-69.42
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1Cl	REAL300012059809	0	49	0.0	-75.58	378.44	9.84	-65.74
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1C	REAL300012059810	0	53	0.0	-67.85	397.51	8.74	-59.11
CC(C)[C@H]([NH2+]CC1=CSC=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059811	1	42	0.0	-70.69	328.58	5.99	-64.70
CC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1F	REAL300012059812	0	49	0.0	-73.52	370.11	9.53	-63.99
CC(C)[C@H]([NH2+]CC1=CC=C(C#N)C=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059813	0	47	0.0	-77.42	371.46	9.13	-68.29
CC1=NNC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059814	0	46	0.0	-77.92	339.55	5.87	-72.05
CC(C)[C@H]([NH2+]CC1=CC=NN1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059815	0	46	0.0	-77.21	343.63	6.28	-70.93
CC(C)[C@H]([NH2+]CC1=CC=C(Br)C=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059816	0	45	0.0	-73.76	364.18	7.46	-66.30
CC(C)[C@H]([NH2+]CC1=CN=C(N2CCOCC2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059817	0	55	0.0	-72.40	420.09	6.14	-66.26
C#CCCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059818	0	55	0.0	-69.26	426.53	10.24	-59.02
CC(C)[C@H]([NH2+]CC1=CN2C=CC=CC2=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059819	1	49	0.0	-72.34	370.25	9.29	-63.05
CC1=NN(C)C2=NC=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)C=C12	REAL300012059820	0	54	0.0	-80.92	412.63	8.57	-72.35
CC(C)[C@H]([NH2+]CC1=CSC(C2CC2)=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059821	1	49	0.0	-70.03	380.81	8.15	-61.88
CCC1=NC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CS1	REAL300012059822	1	48	0.0	-69.03	374.17	7.17	-61.86
CC(C)[C@H]([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059823	1	49	0.0	-71.26	386.61	9.68	-61.58
CC1=NN(C)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059824	0	49	0.0	-65.75	369.50	7.09	-58.66
CCOCC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1OC	REAL300012059825	0	60	0.0	-74.50	447.56	8.97	-65.53
CCN1C=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=N1	REAL300012059826	0	49	0.0	-64.88	370.55	7.42	-57.46
CC(C)[C@H]([NH2+]CC1=CN(C)N=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059827	1	45	0.0	-75.06	345.85	5.06	-70.00
CC(C)[C@H]([NH2+]CC1=CC=CC(C(N)=O)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059828	0	50	0.0	-81.09	378.52	5.53	-75.56
CC(C)[C@H]([NH2+]CC1=NN(C)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059829	1	46	0.0	-69.52	349.01	6.42	-63.10
CC(C)[C@H]([NH2+]CC1=NC=CN1CC(F)(F)F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059830	1	49	0.0	-74.91	381.70	8.15	-66.76
CC1=CSC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=N1	REAL300012059831	1	45	0.0	-73.47	350.94	6.65	-66.82
COC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1F	REAL300012059832	0	50	0.0	-77.20	379.11	8.20	-69.00
CC(C)[C@H]([NH2+]CC1=CC=C2CCCC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059833	0	53	0.0	-71.01	388.43	10.58	-60.43
CC(C)[C@H]([NH2+]CC1=CSC=C1Br)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059834	1	43	0.0	-70.59	347.44	8.10	-62.49
CCN1N=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059835	0	49	0.0	-77.26	360.71	7.25	-70.01
CC(C)[C@H]([NH2+]CC1=NC2=C(CCCC2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059836	1	52	0.0	-72.76	392.87	8.67	-64.09
CC(C)[C@H]([NH2+]CC1=CC2=CC=NC=C2C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059837	0	51	0.0	-78.71	383.92	9.14	-69.57
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)SC=N1	REAL300012059838	0	45	0.0	-69.07	345.49	6.01	-63.06
COC1=CC(F)=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059839	0	50	0.0	-72.70	382.30	8.20	-64.50
CC(C)[C@H]([NH2+]CC1=CN=C(C(C)(C)C)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059840	0	56	0.0	-80.74	415.98	8.88	-71.86
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=CS1	REAL300012059841	0	46	0.0	-71.13	348.69	8.35	-62.78
CC(C)[C@H]([NH2+]CC1=CC=C(S(C)=O)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059842	0	51	0.0	-83.68	395.17	7.33	-76.35
CC(C)[C@H]([NH2+]CC1=CC=C2CCCCC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059843	0	56	0.0	-68.56	411.13	10.99	-57.57
CC(C)[C@H]([NH2+]CC1=CC=CC(C#N)=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059844	0	46	0.0	-79.45	360.29	7.39	-72.06
COC(=O)C1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CN1	REAL300012059845	0	50	0.0	-82.99	385.89	7.35	-75.64
COCC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)O1	REAL300012059846	0	50	0.0	-70.80	382.50	6.73	-64.07
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(C)=C1OC	REAL300012059847	0	57	0.0	-76.44	415.22	8.39	-68.05
CC(C)[C@H]([NH2+]CC1=CSC(Cl)=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059848	1	43	0.0	-76.23	363.84	8.92	-67.31
CC1=NC(F)=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059849	0	48	0.0	-83.93	356.65	7.49	-76.44
COC1=CC(C)=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059850	0	53	0.0	-67.58	392.28	8.61	-58.97
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CS1	REAL300012059851	0	46	0.0	-70.64	354.78	8.42	-62.22
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)N=N1	REAL300012059852	0	47	0.0	-77.82	357.71	6.45	-71.37
CC(C)[C@H]([NH2+]CC1=CN=C(C(F)(F)F)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059853	0	45	0.0	-71.49	372.23	7.12	-64.37
CC(C)[C@H]([NH2+]CC1=CN=NN1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059854	0	45	0.0	-78.81	336.88	4.81	-74.00
CC(C)[C@H]([NH2+]CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059855	0	52	0.0	-72.39	408.62	6.21	-66.18
CC(C)[C@H]([NH2+]CC1=CC(Cl)=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059856	0	43	0.0	-65.48	353.26	8.33	-57.15
CC(C)[C@H]([NH2+]CC1=CC=C(C2CCCC2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059857	0	59	0.0	-67.99	430.60	12.04	-55.95
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)N(C)N=C1	REAL300012059858	0	49	0.0	-76.94	362.37	6.89	-70.05
CC1=CC(Cl)=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059859	0	49	0.0	-74.20	381.05	9.83	-64.37
COCC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059860	0	53	0.0	-74.43	399.09	8.49	-65.94
CC(C)[C@H]([NH2+]CC1=CC=C(C2CC2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059861	0	53	0.0	-69.29	396.96	11.04	-58.25
C=CN1C=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=N1	REAL300012059863	0	47	0.0	-74.46	360.96	7.85	-66.61
CC(C)[C@H]([NH2+]CC1=CC=C(C(F)F)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059864	0	49	0.0	-78.56	378.19	9.69	-68.87
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=NN1C	REAL300012059865	0	49	0.0	-75.10	362.13	7.16	-67.94
CC(C)[C@H]([NH2+]CC1=CN=C(C2CC2)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059866	0	51	0.0	-70.35	388.10	8.37	-61.98
COCCN1C=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=N1	REAL300012059867	0	53	0.0	-73.36	404.38	6.56	-66.80
CC(C)[C@H]([NH2+]CC1=CC=C(C2CCC2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059868	0	56	0.0	-65.33	411.86	11.30	-54.03
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC2=CC=CC=C21	REAL300012059869	0	56	0.0	-69.31	420.63	10.35	-58.96
CCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1F	REAL300012059870	0	53	0.0	-76.56	405.51	8.99	-67.57
COC1=CC=CC2=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)C=CC=C12	REAL300012059871	0	56	0.0	-76.81	409.20	10.25	-66.56
CC(C)[C@H]([NH2+]CC1=CC(C#N)=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059872	0	44	0.0	-76.67	357.65	8.35	-68.32
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1C#N	REAL300012059873	0	51	0.0	-87.49	393.68	8.47	-79.02
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1C#N	REAL300012059875	0	50	0.0	-84.84	384.36	9.81	-75.03
CC1=CN=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)S1	REAL300012059876	1	45	0.0	-70.42	348.53	6.63	-63.79
CC(C)CN1C=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=N1	REAL300012059877	0	55	0.0	-71.68	407.56	9.10	-62.58
CCC1=CN=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)S1	REAL300012059878	1	48	0.0	-72.62	371.68	7.64	-64.98
CC(C)[C@H]([NH2+]CC1=CC=C2C(=C1)CCC(=O)N2C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059879	0	57	0.0	-78.90	422.25	9.72	-69.18
CC1=NN(C(C)C)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059880	0	55	0.0	-76.94	405.26	8.67	-68.27
CC(C)[C@H]([NH2+]CC1=CN=C(C2CCCC2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059881	0	55	0.0	-74.59	416.25	9.56	-65.03
CC(C)[C@H]([NH2+]CC1=CN=C(C2CC2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059882	0	49	0.0	-72.75	379.91	8.37	-64.38
CC(C)C1=NC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)S1	REAL300012059883	0	51	0.0	-72.14	391.88	7.98	-64.16
CC(C)[C@H]([NH2+]CC1=CN=C(C2=CC=CO2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059884	0	49	0.0	-78.33	391.82	8.07	-70.26
CC(C)[C@H]([NH2+]CC1=CC=C(C2=CN(C)N=C2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059885	0	56	0.0	-70.91	428.01	10.00	-60.91
CC(C)[C@H]([NH2+]CC1=CN(CC(F)F)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059886	0	49	0.0	-67.35	383.54	7.71	-59.64
CC(C)[C@H]([NH2+]CC1=CC=C(C(=O)N(C)C)N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059887	0	54	0.0	-82.48	406.34	7.18	-75.30
CC(C)[C@H]([NH2+]CC1=CC(C(N)=O)=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059888	0	47	0.0	-67.09	372.50	4.58	-62.51
CC(C)[C@H]([NH2+]CC1=CN=C(C2CCC2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059889	0	52	0.0	-73.43	397.46	8.84	-64.59
CC(C)[C@H]([NH2+]CC1=CN=C(C2CCCO2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059890	0	53	0.0	-75.72	406.72	6.86	-68.86
CC1=CC=CC=C1N1C=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)N=N1	REAL300012059891	1	55	0.0	-77.36	416.96	9.74	-67.62
CC(C)[C@H]([NH2+]CC1=CC(Br)=NN1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059892	0	46	0.0	-83.97	366.69	6.98	-76.99
CC(C)[C@H]([NH2+]CC1=CC=C(C2=CN(C)N=C2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059893	0	53	0.0	-72.70	420.34	9.52	-63.18
CC(C)[C@H]([NH2+]CC1=CC=C2OCCCCOC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059894	0	58	0.0	-75.59	425.36	9.74	-65.85
CC(C)[C@H]([NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059895	0	46	0.0	-74.37	378.50	9.68	-64.69
CC(C)[C@H]([NH2+]CC1=NN(C(F)F)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059896	1	46	0.0	-71.77	362.61	6.74	-65.03
CC(C)C1=CN=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)S1	REAL300012059897	1	51	0.0	-72.35	392.10	8.28	-64.07
CC(C)[C@H]([NH2+]CC1=NC=C(C(C)(C)C)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059898	1	54	0.0	-72.30	410.69	8.71	-63.59
COC(=O)C1=C(C)N(C)C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059899	0	56	0.0	-84.21	422.41	9.43	-74.78
COCCOCC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059900	0	60	0.0	-75.48	454.57	8.72	-66.76
CSCC1=CN=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)S1	REAL300012059901	1	49	0.0	-62.07	397.63	7.92	-54.15
CC(C)[C@H]([NH2+]CC1=CC=CC(C2CC2)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059903	0	53	0.0	-68.59	395.61	10.93	-57.66
CC1=NN(C)C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059904	0	49	0.0	-68.42	370.43	6.83	-61.59
CC(C)[C@H]([NH2+]CC1=CC=C(C#N)C(F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059905	0	47	0.0	-87.45	370.72	9.20	-78.25
CC(C)[C@H]([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059906	0	49	0.0	-84.06	382.57	7.70	-76.36
CC(C)CN1N=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059907	0	55	0.0	-76.62	405.26	8.70	-67.92
COC(=O)C1=C(C)C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CN1	REAL300012059908	0	53	0.0	-80.49	401.23	7.63	-72.86
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059909	0	59	0.0	-74.54	441.34	11.17	-63.37
CC(C)[C@H]([NH2+]CC1=CC=C(C(C)(C)C#N)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059910	0	56	0.0	-78.14	419.90	10.73	-67.41
CC(C)[C@H]([NH2+]CC1=NN2CCCCC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059911	1	53	0.0	-67.89	390.98	8.16	-59.73
CC(C)[C@H]([NH2+]CC1=CC2=CN=CC=C2O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059912	0	48	0.0	-76.90	365.52	7.46	-69.44
COC1=CC(OC)=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1F	REAL300012059913	0	54	0.0	-72.99	406.57	7.32	-65.67
COC1=CC(F)=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1OC	REAL300012059914	0	54	0.0	-71.98	409.36	7.95	-64.03
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(Cl)=C1	REAL300012059915	0	49	0.0	-66.48	378.89	9.85	-56.63
CCC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059916	0	52	0.0	-71.99	386.86	10.19	-61.80
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059917	0	59	0.0	-80.95	444.92	11.34	-69.61
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(F)=C1	REAL300012059918	0	50	0.0	-70.43	380.09	8.04	-62.39
CC(C)[C@H]([NH2+]CC1=CC=CC2=C1CCC2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059919	0	53	0.0	-68.53	388.79	10.75	-57.78
CCCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(C)=C1	REAL300012059920	0	59	0.0	-69.60	428.27	10.30	-59.30
CC(C)[C@H]([NH2+]CC1=CC2=CC=NC=C2S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059921	0	48	0.0	-74.36	378.51	8.58	-65.78
CC(C)[C@H]([NH2+]CC1=C2CCCN2N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059922	0	50	0.0	-72.72	374.23	7.55	-65.17
CCC1=C2OC(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)=CC2=CC=C1	REAL300012059923	0	55	0.0	-71.87	417.16	10.78	-61.09
C=CCCN1C=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)N=N1	REAL300012059924	1	52	0.0	-77.06	396.50	7.64	-69.42
CC(C)[C@H]([NH2+]CC1=CC=NN1CC1CC1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059925	0	53	0.0	-65.01	395.71	8.81	-56.20
CC(C)[C@H]([NH2+]CC1=CC=CC(OC2CC2)=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059926	0	54	0.0	-58.47	411.11	9.70	-48.77
CCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(C)=C1	REAL300012059927	0	56	0.0	-69.70	406.72	9.49	-60.21
CC(C)[C@H]([NH2+]CC1=CC=CC(C2CCCC2)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059928	0	59	0.0	-72.91	428.40	12.11	-60.80
COCC1=CSC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059929	0	50	0.0	-68.18	391.91	7.66	-60.52
CC(C)[C@H]([NH2+]CC1=CN(C2CCC2)N=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059930	1	52	0.0	-77.76	388.36	7.22	-70.54
CC(C)[C@H]([NH2+]CC1=CSC(C(F)(F)F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059931	0	46	0.0	-72.14	376.72	8.85	-63.29
CC(C)[C@H]([NH2+]CC1=CC=C(C(F)(F)F)O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059932	0	46	0.0	-74.30	368.31	8.19	-66.11
CC(C)[C@H]([NH2+]CC1=CC=C(OC2CCOC2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059933	0	58	0.0	-72.55	432.02	8.41	-64.14
CC(C)[C@H]([NH2+]CC1=CC(F)=C(N(C)C)C=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059934	0	54	0.0	-63.20	412.49	8.27	-54.93
CC(C)[C@H]([NH2+]CC1=CC=C(F)C(F)=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059935	1	46	0.0	-79.90	363.25	8.87	-71.03
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1OC1CC1	REAL300012059936	0	58	0.0	-71.76	435.23	9.59	-62.17
CCCN1N=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059937	0	52	0.0	-73.33	390.33	8.05	-65.28
CC(C)[C@H]([NH2+]CC1=CC(C(F)(F)F)=NN1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059938	0	49	0.0	-70.25	389.65	7.22	-63.03
COCC(C)OC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059939	0	60	0.0	-77.52	444.47	9.00	-68.52
CCCC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)S1	REAL300012059940	0	52	0.0	-64.69	397.23	9.89	-54.80
CC(C)[C@H]([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059941	0	53	0.0	-66.90	413.46	11.33	-55.57
CC(C)[C@H]([NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059942	0	59	0.0	-67.64	449.41	10.95	-56.69
CC(C)C1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059943	0	55	0.0	-71.92	404.19	10.68	-61.24
CC(C)[C@H]([NH2+]CC1=CN(C)N=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059944	1	46	0.0	-74.36	362.81	6.99	-67.37
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300012059945	0	62	0.0	-75.04	444.15	10.91	-64.13
CC(C)[C@H]([NH2+]CC1=CC=CC(CC2CCC2)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059946	0	59	0.0	-71.93	435.02	12.27	-59.66
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=NC=C1Br	REAL300012059947	0	48	0.0	-71.71	380.95	8.06	-63.65
CC(C)[C@H]([NH2+]CC1=C(O)C=CC=C1Br)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059948	0	47	0.0	-60.07	365.46	6.00	-54.07
CC(C)[C@H]([NH2+]CC1=CSC(C2=CN(C)N=C2)=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059949	1	52	0.0	-72.61	412.42	7.25	-65.36
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1Cl	REAL300012059950	0	50	0.0	-71.29	393.46	8.54	-62.75
CC(C)[C@H]([NH2+]CC1=CC=NN1CC1CCC1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059951	0	56	0.0	-79.16	415.34	9.48	-69.68
CC(C)[C@H]([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059952	1	52	0.0	-79.72	403.67	8.82	-70.90
CC(C)[C@H]([NH2+]CC1=CN(C)N=C1Br)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059953	1	46	0.0	-73.57	366.85	7.06	-66.51
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(F)=C1	REAL300012059954	0	49	0.0	-69.38	372.07	9.42	-59.96
CC(=O)NC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059955	0	53	0.0	-80.77	399.10	7.61	-73.16
CC(C)[C@H]([NH2+]CC1=CN=C2C(=C1)C=NN2C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059956	0	51	0.0	-76.14	390.40	7.84	-68.30
COC1=CC(Cl)=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1OC	REAL300012059957	0	54	0.0	-70.48	416.98	8.50	-61.98
CC(C)[C@H]([NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059958	0	52	0.0	-68.15	407.10	10.51	-57.64
CC(C)[C@H]([NH2+]CC1=C2CCCCC2=NN1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059959	0	56	0.0	-68.00	410.21	8.69	-59.31
CCOC(=O)C1=C(C)C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C(C)N1	REAL300012059960	0	59	0.0	-80.22	441.57	9.24	-70.98
CC1=C(C)C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CS1	REAL300012059961	0	49	0.0	-71.93	369.19	9.17	-62.76
CC(C)[C@H]([NH2+]CC1=CN=C(Cl)C(F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059962	0	45	0.0	-86.43	361.57	7.67	-78.76
CC(C)[C@H]([NH2+]CC1=C(Br)SC=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059963	1	43	0.0	-65.45	352.61	8.02	-57.43
CCOC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C(F)C=C1OC	REAL300012059964	0	57	0.0	-72.08	431.65	8.98	-63.10
CC(C)[C@H]([NH2+]CC1=CC=CN=C1Br)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059965	1	45	0.0	-71.20	356.93	7.53	-63.67
CCOC1=CC(F)=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059966	0	53	0.0	-72.43	404.16	9.12	-63.31
CC(C)[C@H]([NH2+]CC1=CC=C(OC(F)F)C=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059967	0	50	0.0	-71.17	390.34	8.44	-62.73
CC(C)[C@H]([NH2+]CC1=CC=CC(OC(C)(C)C)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059968	0	59	0.0	-73.92	424.59	9.88	-64.04
CC1=C(Cl)C=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012059969	0	49	0.0	-73.20	367.92	9.49	-63.71
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C(F)C=C1C	REAL300012059970	0	53	0.0	-68.38	398.66	8.45	-59.93
CC1=CC=NC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1Br	REAL300012059971	1	48	0.0	-63.45	373.47	7.93	-55.52
CC(C)[C@H]([NH2+]CC1=NC(C(C)(C)C)=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059972	1	54	0.0	-59.78	411.79	8.48	-51.30
COCCC1=NC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)S1	REAL300012059973	0	52	0.0	-74.74	403.68	6.47	-68.27
CC(C)[C@H]([NH2+]CC1=CC(F)=CC(F)=C1O)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059974	1	47	0.0	-80.36	365.27	6.13	-74.23
CC(C)[C@H]([NH2+]CC1=C2CSCCC2=NN1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059975	0	54	0.0	-77.38	409.31	8.49	-68.89
CC(C)[C@H]([NH2+]CC1=CC=CC2=C1CCOC2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059976	0	54	0.0	-65.29	393.16	8.73	-56.56
CC(C)[C@H]([NH2+]CC1=CC=C2OC(=O)OC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059977	0	48	0.0	-91.29	371.74	9.52	-81.77
CC(C)[C@H]([NH2+]CC1=CC=CC2=NC=CC=C12)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059978	0	51	0.0	-75.38	377.47	8.94	-66.44
CCCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1C	REAL300012059979	0	59	0.0	-74.58	436.90	10.53	-64.05
CC(C)[C@H]([NH2+]CC1=CC2=NC=CN=C2C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059980	0	50	0.0	-82.12	379.02	7.14	-74.98
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=CC=C1[N+](=O)[O-]	REAL300012059981	0	51	0.0	-87.43	383.04	10.08	-77.35
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(F)=C1OC	REAL300012059982	0	54	0.0	-73.59	411.38	8.11	-65.48
COC(=O)C1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(F)=C1	REAL300012059983	0	52	0.0	-74.35	405.34	9.40	-64.95
CC(C)[C@H]([NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059984	0	56	0.0	-78.06	430.07	9.35	-68.71
CC1=COC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012059985	0	46	0.0	-69.33	350.15	7.74	-61.59
CC(C)[C@H]([NH2+]CC1=CC=C(Cl)C=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059986	0	45	0.0	-73.73	359.61	7.35	-66.38
CC(C)[C@H]([NH2+]CC1=CN(CCF)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059988	0	49	0.0	-77.30	373.96	7.48	-69.82
CCCC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012059990	0	55	0.0	-71.85	407.34	10.96	-60.89
CC1=C2C=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)C=NC2=NN1	REAL300012059991	0	51	0.0	-88.88	386.04	7.12	-81.76
CC(C)[C@H]([NH2+]CC1=NC=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059992	1	42	0.0	-73.17	328.75	6.12	-67.05
CC(C)[C@H]([NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059993	0	54	0.0	-69.30	425.35	5.30	-64.00
CC(C)[C@H]([NH2+]CC1=NN(C)C2=CC=CC=C21)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059994	0	52	0.0	-70.57	396.11	8.64	-61.93
CC(C)[C@H]([NH2+]CC1=C2C=CC=CC2=NN1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059995	0	49	0.0	-78.36	370.00	7.35	-71.01
CC(C)[C@H]([NH2+]CC1=NNC2=CC=CC=C21)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059995	1	49	0.0	-70.34	373.48	7.46	-62.88
CCC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)S1	REAL300012059996	0	49	0.0	-68.41	375.92	9.42	-58.99
CCC1=NC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)S1	REAL300012059997	0	48	0.0	-72.52	371.09	7.38	-65.14
COC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)SC=C1	REAL300012059998	0	47	0.0	-65.08	363.04	7.08	-58.00
CC(C)[C@H]([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012059999	0	52	0.0	-73.43	402.33	6.93	-66.50
CC(C)[C@H]([NH2+]CC1=CSC=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060000	0	43	0.0	-71.28	344.93	8.05	-63.23
CC(C)[C@H]([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060001	0	51	0.0	-61.48	393.55	9.54	-51.94
CC(C)[C@H]([NH2+]CC1CC2CCC1C2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060002	0	53	0.0	-66.91	369.65	9.42	-57.49
CC(C)[C@H]([NH2+]CC1=CC=C(F)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060003	0	45	0.0	-78.30	347.64	6.99	-71.31
CC(C)[C@H]([NH2+]CC1=CC=C(C(F)(F)F)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060004	0	46	0.0	-77.61	375.22	9.23	-68.38
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)NN=C1	REAL300012060005	1	46	0.0	-77.67	341.60	5.94	-71.73
CC1=CNN=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060005	1	46	0.0	-70.32	344.27	5.95	-64.37
CC1=CN=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)N1C	REAL300012060006	1	49	0.0	-74.13	366.53	7.60	-66.53
CC(C)[C@H]([NH2+]CC1CCC(C(C)C)CC1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060007	0	61	0.0	-71.29	421.12	10.99	-60.30
COCC1=CC=CC=C1C=C(C)C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060008	0	60	0.0	-72.01	445.42	10.47	-61.54
CC(C)[C@H]([NH2+]CC1=C(Cl)N(C)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060009	1	46	0.0	-73.24	361.62	6.91	-66.33
CC(C)[C@H]([NH2+]CC1=CC2=CC=CN=C2O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060010	0	48	0.0	-77.13	365.56	6.14	-70.99
CC1=CN=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060011	0	48	0.0	-67.99	357.17	7.51	-60.48
CC(C)[C@H]([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060012	0	48	0.0	-77.02	385.80	6.80	-70.22
CC(C)[C@H]([NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060013	0	53	0.0	-66.52	396.96	10.80	-55.72
CC(C)[C@H]([NH2+]CC1=CC=NC=C1Br)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060014	1	45	0.0	-71.30	355.29	7.55	-63.75
CC(C)[C@H]([NH2+]CC1=CC=C(S(C)(=O)=O)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060015	0	49	0.0	-84.93	397.05	5.66	-79.27
CC(C)[C@H]([NH2+]CC1=NC=CN1C(C)C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060017	1	52	0.0	-71.72	383.41	8.73	-62.99
CC1=C(Br)C=NC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060018	0	48	0.0	-75.52	367.65	7.75	-67.77
CC1=NC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)N1C	REAL300012060019	0	49	0.0	-64.00	366.03	7.70	-56.30
CC1=C2C=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)NC2=CC=C1	REAL300012060020	0	53	0.0	-78.45	397.18	9.51	-68.94
CC1=CC=C2C=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)NC2=C1	REAL300012060021	0	53	0.0	-78.38	397.23	9.59	-68.79
CC1=NC=CN=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060022	1	47	0.0	-70.80	349.79	5.40	-65.40
CCOC1=CN=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012060023	0	52	0.0	-75.84	389.20	7.07	-68.77
CC(C)[C@H]([NH2+]CC1=CC=NC=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060024	0	45	0.0	-71.58	352.70	7.46	-64.12
CC(C)[C@H]([NH2+]CC1=CC=NN1C1CCOCC1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060025	0	57	0.0	-75.42	420.27	6.99	-68.43
CCC(F)(F)C(C)(C)C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060026	0	54	0.0	-66.42	385.58	9.14	-57.28
CC(C)[C@H]([NH2+]CC1=CC=NC(F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060027	0	45	0.0	-85.11	345.66	7.10	-78.01
CC(C)[C@H]([NH2+]CC1=CC=C2C=CNC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060028	0	50	0.0	-71.45	377.72	8.87	-62.58
CC(C)[C@H]([NH2+]CC1=CC2=C(C=CNC2=O)O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060029	1	49	0.0	-73.82	378.77	6.19	-67.63
CC(C)[C@H]([NH2+]CC1=CC=C(C(F)F)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060030	0	48	0.0	-70.04	374.11	7.83	-62.21
CC(C)[C@H]([NH2+]CC1=CN(CC2CCOC2)N=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060031	1	56	0.0	-82.55	417.30	6.19	-76.36
COC1=CN=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1C	REAL300012060032	0	52	0.0	-72.26	379.69	6.78	-65.48
CC1=CC(C)=C(C=CC[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(C)=C1	REAL300012060033	0	59	0.0	-73.53	431.85	11.82	-61.71
CC(C)[C@H]([NH2+]CC1=CN(CC2CCCO2)N=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060034	1	56	0.0	-79.13	418.31	6.70	-72.43
CCCN1C=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)N=N1	REAL300012060035	1	51	0.0	-78.71	385.92	6.86	-71.85
CC(C)[C@H]([NH2+]CC1=CN(C2CC2)C=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060036	1	50	0.0	-68.99	374.65	9.43	-59.56
CC(C)[C@H]([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060037	0	51	0.0	-85.78	391.39	9.42	-76.36
CC1=CC(C)=C(C=CC[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1C	REAL300012060038	0	59	0.0	-72.67	429.85	11.68	-60.99
CC1=NSC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012060039	0	45	0.0	-73.37	352.93	7.25	-66.12
CC(C)[C@H]([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060040	0	51	0.0	-86.25	398.26	3.72	-82.53
CC(C)[C@H]([NH2+]CC1=CN=C(C2CC2)O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060042	1	49	0.0	-75.42	372.75	6.07	-69.35
CCC1=CNC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=N1	REAL300012060043	1	49	0.0	-72.10	369.17	6.89	-65.21
CC(C)[C@H]([NH2+]CC1=NC=CC2=C1CCCC2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060044	0	55	0.0	-65.56	398.46	9.37	-56.19
CC(C)[C@H]([NH2+]CC1=CSC(C2=NN(C)C=C2)=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060045	1	52	0.0	-79.48	415.74	7.18	-72.30
CC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1Br	REAL300012060046	0	49	0.0	-68.81	372.28	9.61	-59.20
CC(C)[C@H]([NH2+]CC1=CC=C2OCCCC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060047	0	54	0.0	-66.48	399.79	9.34	-57.14
CC(C)[C@H]([NH2+]CC1=CC=CC(C(=O)N(C)C)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060048	0	56	0.0	-82.54	415.98	8.57	-73.97
CCC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(Cl)=NN1	REAL300012060049	1	49	0.0	-71.88	380.89	7.02	-64.86
CC(C)[C@H]([NH2+]CC1=C(C2CC2)NN=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060050	1	50	0.0	-57.78	392.35	7.69	-50.09
CCN1C=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)N=N1	REAL300012060051	1	48	0.0	-77.43	362.19	6.32	-71.11
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C2CCCCC2=N1	REAL300012060052	0	58	0.0	-75.24	413.00	9.74	-65.50
CCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)O1	REAL300012060053	0	50	0.0	-72.71	378.52	8.18	-64.53
CCN1C=NC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012060055	1	49	0.0	-69.60	368.23	9.09	-60.51
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CN=C1F	REAL300012060056	0	48	0.0	-78.70	368.01	7.61	-71.09
CC1=CC(F)=NC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060057	0	48	0.0	-80.50	358.26	7.58	-72.92
CC(C)[C@H]([NH2+]CC1=CC=C(C(F)F)C(F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060058	0	49	0.0	-80.30	382.18	9.69	-70.61
COC(=O)C1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1C	REAL300012060059	0	55	0.0	-81.03	414.30	9.93	-71.10
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(C)=C1	REAL300012060060	0	53	0.0	-65.77	391.02	8.57	-57.20
CC1=C(Cl)C=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1Cl	REAL300012060061	0	49	0.0	-57.67	391.57	10.17	-47.50
CC(C)[C@H]([NH2+]CC1=CC=C2OC(C)CC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060062	0	54	0.0	-72.75	403.27	9.43	-63.32
CC(C)[C@H]([NH2+]CC1=CC=CC2=C1OC(=O)N2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060063	0	49	0.0	-84.64	375.25	6.41	-78.23
CC(C)[C@H]([NH2+]CC1=CC=CC2=C1OCC2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060064	0	51	0.0	-70.53	378.72	8.54	-61.99
CSCC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012060065	0	53	0.0	-73.94	410.15	10.65	-63.29
CC(C)[C@H]([NH2+]CC1=CN(CC2CCC2)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060066	0	56	0.0	-64.41	418.44	9.50	-54.91
CC(C)[C@H]([NH2+]CC1=C2COCCC2=NN1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060067	0	54	0.0	-77.20	400.16	6.41	-70.79
CC(C)[C@H]([NH2+]CC1=C2CCCC2=NN1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060068	0	53	0.0	-78.78	390.07	8.38	-70.40
CC(C)[C@H]([NH2+]CC1=CC=NN1C1CCC1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060069	0	53	0.0	-73.72	395.10	8.62	-65.10
CC(C)[C@H]([NH2+]CC1=CN(C2CCC2)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060070	0	53	0.0	-72.39	394.52	8.63	-63.76
COC1=CC=C(C)C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012060071	0	53	0.0	-72.15	387.33	8.71	-63.44
CC(C)[C@H]([NH2+]CC1=C2C(=CC=C1)N=CN2C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060072	0	52	0.0	-79.69	382.43	10.00	-69.69
CCC1=CC=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060073	0	52	0.0	-62.56	379.65	9.99	-52.57
CC(C)[C@H]([NH2+]CC1=CC=C(C(=O)N(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060074	0	56	0.0	-82.90	415.49	8.62	-74.28
CC1=CC(F)=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012060075	0	49	0.0	-64.73	373.91	9.44	-55.29
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(C)=C1C	REAL300012060076	0	55	0.0	-64.32	396.25	10.40	-53.92
CCNC(=O)C1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012060077	0	56	0.0	-84.97	421.99	7.89	-77.08
CC(C)[C@H]([NH2+]CC1=CN=C2CCCCCN12)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060078	0	56	0.0	-76.58	398.99	9.06	-67.52
COC1=CC=C2SC(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)=CC2=C1	REAL300012060079	0	53	0.0	-71.59	413.32	9.66	-61.93
CCN1CCC2=CC(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)=CC=C21	REAL300012060080	0	58	0.0	-72.66	420.94	9.15	-63.51
CCN(C)C(=O)C1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012060081	0	59	0.0	-85.78	439.85	9.68	-76.10
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=NN1C(C)C	REAL300012060082	0	55	0.0	-70.36	408.42	8.60	-61.76
CSC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1Cl	REAL300012060083	0	50	0.0	-77.54	399.20	10.22	-67.32
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1C1CC1	REAL300012060084	0	56	0.0	-72.41	410.39	11.38	-61.03
CCOC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=N1	REAL300012060085	0	52	0.0	-79.16	391.92	6.37	-72.79
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1C1CC1	REAL300012060086	0	56	0.0	-68.33	413.43	11.45	-56.88
CC1=NN(C2=CC=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)C(C)=C2)C=C1	REAL300012060087	0	59	0.0	-82.23	436.86	11.16	-71.07
COC(=O)C1=CC2=C(C=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)O2)N1	REAL300012060088	0	53	0.0	-79.63	411.50	7.46	-72.17
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)O1	REAL300012060089	0	47	0.0	-72.79	356.67	7.24	-65.55
COCCOC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)O1	REAL300012060090	0	54	0.0	-72.65	415.63	7.58	-65.07
CC(C)[C@H]([NH2+]CC1=NN(CCF)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060091	1	49	0.0	-71.88	375.02	7.48	-64.40
CCN1C=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(C)=N1	REAL300012060092	0	52	0.0	-78.05	389.03	8.13	-69.92
CC(C)[C@H]([NH2+]CC1=CC(C2CC2)=NN1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060093	0	53	0.0	-80.53	396.89	8.62	-71.91
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060094	0	56	0.0	-77.33	414.85	11.62	-65.71
CC(C)[C@H]([NH2+]CC1=CN=C(C2CCOCC2)O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060095	1	56	0.0	-70.71	418.51	5.22	-65.49
COC1=NC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1F	REAL300012060096	1	49	0.0	-60.74	378.86	5.53	-55.21
CC(C)[C@H]([NH2+]CC1=CN2C=CN=C2S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060097	0	46	0.0	-77.85	363.48	8.67	-69.18
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C(C(C)(C)C)O1	REAL300012060098	0	58	0.0	-66.25	429.07	10.28	-55.97
CC1=C(C)SC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=N1	REAL300012060099	1	48	0.0	-72.84	369.82	7.36	-65.48
CC(C)[C@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060100	1	55	0.0	-81.03	424.36	9.09	-71.94
CC1=CC(Br)=CN=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060101	0	48	0.0	-68.47	379.77	8.13	-60.34
CC(C)[C@H]([NH2+]CC1=CC=C2OC(C)C(C)C2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060102	0	57	0.0	-72.80	423.97	10.06	-62.74
CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1OC(F)F	REAL300012060103	0	53	0.0	-63.89	407.26	9.02	-54.87
CC(C)[C@H]([NH2+]CC1=CSN=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060104	0	42	0.0	-73.76	329.09	6.01	-67.75
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)NN=C1C(F)(F)F	REAL300012060105	0	49	0.0	-80.14	384.42	6.71	-73.43
CC(C)CN1C=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)N=N1	REAL300012060106	1	54	0.0	-76.64	398.90	7.66	-68.98
CC(C)[C@H]([NH2+]CC1=NC(C2CC2)=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060107	1	49	0.0	-59.88	381.98	7.94	-51.94
CC(C)[C@H]([NH2+]CC1=CC(C(F)(F)F)=NN1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060108	0	46	0.0	-85.93	365.03	6.32	-79.61
CC(C)[C@H]([NH2+]CC1=CC=C2CCOC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060109	0	51	0.0	-73.15	378.83	8.44	-64.71
CSC1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012060111	0	50	0.0	-74.40	383.19	9.74	-64.66
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC(C)=N1	REAL300012060112	0	51	0.0	-76.35	381.02	8.12	-68.23
CCCN1C=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(C)=N1	REAL300012060113	0	55	0.0	-75.09	403.98	8.58	-66.51
CCN1C=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=N1	REAL300012060114	1	49	0.0	-68.24	370.79	7.41	-60.83
CC(C)[C@H]([NH2+]CC1=CC2=NC=CC=C2O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060115	0	48	0.0	-72.12	368.79	7.44	-64.68
CC(C)[C@H]([NH2+]CC1=CC=C(CC2CC2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060117	0	53	0.0	-70.00	408.48	11.02	-58.98
CC(C)[C@H]([NH2+]CC1=CC=C(OC2CC2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060118	0	54	0.0	-72.25	406.42	9.79	-62.46
CC1=NC=CN1C1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(C)=C1	REAL300012060119	0	59	0.0	-71.68	441.02	11.86	-59.82
CC1=C(C)N(C2=CC=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)C=C2)C=N1	REAL300012060120	0	59	0.0	-79.13	446.21	12.52	-66.61
CNC(=O)C1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012060121	0	53	0.0	-81.27	400.45	7.03	-74.24
CC(C)[C@H]([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060122	0	60	0.0	-68.84	440.81	12.86	-55.98
CCNC(=O)C1=CC=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012060124	0	56	0.0	-80.98	421.93	7.87	-73.11
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300012060125	0	52	0.0	-71.47	400.00	9.91	-61.56
CC(C)[C@H]([NH2+]CC1=CC(C2CCC2)=NN1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060126	0	53	0.0	-74.77	393.47	7.74	-67.03
CC(C)[C@H]([NH2+]CC1=CC(C2=CC=CC=C2)=NN1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060127	0	56	0.0	-77.89	426.46	9.95	-67.94
CCCN1C=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=N1	REAL300012060128	1	52	0.0	-70.91	393.80	8.03	-62.88
CC(C)[C@H]([NH2+]CC1=NN(C(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060129	1	52	0.0	-69.46	386.04	7.81	-61.65
CC(C)[C@H]([NH2+]CC1=CN=CC(C(C)(C)C)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060130	0	57	0.0	-69.19	412.88	8.90	-60.29
CC(C)[C@H]([NH2+]CC1=NN(CC(F)(F)F)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060131	1	49	0.0	-71.88	388.67	7.90	-63.98
CC(C)[C@H]([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060132	0	56	0.0	-68.96	401.66	10.44	-58.52
CC(C)[C@H]([NH2+]CC1=NC2=C(CCCC2)N1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060133	1	56	0.0	-72.67	406.91	9.60	-63.07
CC(C)[C@H]([NH2+]CC1=CC=CC(C(F)F)=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060134	0	49	0.0	-79.91	382.83	9.79	-70.12
CC(C)[C@H]([NH2+]CC1=CC=CC2=C1COCC2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060135	0	54	0.0	-74.69	389.09	8.87	-65.82
CCOC1=CC=C(Cl)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060136	0	53	0.0	-61.03	412.76	9.52	-51.51
COC1=NN(C)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060137	1	50	0.0	-76.61	379.01	4.51	-72.10
CC(C)[C@H]([NH2+]CC1=NC2=C(COCC2)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060138	1	50	0.0	-75.73	383.77	6.25	-69.48
CC(C)[C@H]([NH2+]CC1=CC2=C(CCCC2)O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060139	0	53	0.0	-67.71	390.45	9.54	-58.17
CC(C)[C@H]([NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060140	0	48	0.0	-87.45	377.54	9.41	-78.04
CC(C)[C@H]([NH2+]CC1=CN(C2CCCCC2)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060141	0	59	0.0	-73.10	426.48	9.74	-63.36
CC(C)[C@H]([NH2+]CC1=CC=C(N(C)CCO)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060143	0	57	0.0	-67.64	425.67	6.28	-61.36
COC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=CC=C1C(C)(C)C	REAL300012060144	0	62	0.0	-59.93	438.46	10.61	-49.32
CC(C)[C@H]([NH2+]CC1=NC(Br)=CN1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060145	1	46	0.0	-76.45	365.74	7.79	-68.66
COC1=CC(C)=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=N1	REAL300012060146	0	52	0.0	-78.24	383.07	6.07	-72.17
COC1=CC(C)=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1O	REAL300012060147	0	54	0.0	-70.41	400.49	6.44	-63.97
CC(C)[C@H]([NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060148	0	52	0.0	-75.03	401.11	8.05	-66.98
CC(C)[C@H]([NH2+]CC1=CC2=CC=CC=C2N(C)C1=O)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060149	0	55	0.0	-81.77	413.29	9.49	-72.28
COC1=NC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1C	REAL300012060150	0	52	0.0	-71.62	393.44	6.08	-65.54
CCCN1C=NC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060151	0	52	0.0	-70.64	383.88	9.29	-61.35
CC(C)[C@H]([NH2+]CC1=CC=CNC1=O)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060152	0	46	0.0	-70.78	350.01	5.75	-65.03
CC(C)[C@H]([NH2+]CC=CC1=CC=C2OCOC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060153	0	53	0.0	-75.88	403.47	8.80	-67.08
CC(C)[C@H]([NH2+]CC1=CC=C(CC2CCC2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060154	0	59	0.0	-64.91	437.21	12.23	-52.68
CC(C)[C@H]([NH2+]CC1=CC(C2CC2)=NN1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060155	0	50	0.0	-77.33	374.52	7.12	-70.21
CC(C)[C@H]([NH2+]CC1=CC=NN1C1CC1(F)F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060156	0	50	0.0	-84.68	386.99	8.32	-76.36
COC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=CS1	REAL300012060157	0	47	0.0	-68.83	364.52	7.13	-61.70
CC(C)[C@H]([NH2+]CC1=CC=CC(C(C)(F)F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060158	0	52	0.0	-76.15	397.18	10.28	-65.87
CC(C)[C@H]([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060159	0	52	0.0	-75.23	409.31	9.61	-65.62
CC(C)[C@H]([NH2+]CC1=CN=C(C(C)(C)C#N)S1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060160	0	52	0.0	-81.37	409.02	8.08	-73.29
CC(C)[C@H]([NH2+]CC1=CC(F)=CC(F)=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060161	1	46	0.0	-72.34	362.81	8.51	-63.83
CC(C)[C@H]([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060162	0	53	0.0	-71.04	411.95	11.25	-59.79
CC(C)[C@H]([NH2+]CC1=CC(C(C)(C)C)=NN1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060163	0	55	0.0	-69.05	408.20	7.58	-61.47
CCN1CCCC2=CC(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)=CC=C21	REAL300012060164	0	61	0.0	-65.85	435.07	9.85	-56.00
CC(C)[C@H]([NH2+]CC1=C(Br)N(C)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060165	1	46	0.0	-72.62	364.99	6.93	-65.69
CC(C)[C@H]([NH2+]CC=CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060166	0	50	0.0	-72.49	374.07	9.96	-62.53
CC(C)[C@H]([NH2+]CC1=CN=NN1C1CC1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060167	0	49	0.0	-79.88	372.88	6.84	-73.04
CC(C)[C@H]([NH2+]CC1=CC=C2CCOCC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060168	0	54	0.0	-67.27	399.80	8.80	-58.47
CC(C)[C@H]([NH2+]CC1=CN(CCO)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060169	0	50	0.0	-73.89	382.13	4.16	-69.73
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)SC2=CC(F)=CC=C12	REAL300012060170	0	52	0.0	-73.46	401.47	10.82	-62.64
CC(C)[C@H]([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060171	0	52	0.0	-72.00	400.76	6.86	-65.14
CC(C)[C@H]([NH2+]CC=CC1=CC=NC=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060172	0	49	0.0	-74.61	372.42	8.38	-66.23
C=CC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012060173	0	50	0.0	-73.14	375.15	9.85	-63.29
CC(C)[C@H]([NH2+]CC1=CC=CC(OCC2CCC2)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060174	0	60	0.0	-64.88	447.51	11.04	-53.84
CC(C)[C@H]([NH2+]CC1=CC=CC=C1C(C)(F)F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060175	0	52	0.0	-54.02	384.86	10.09	-43.93
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC=C1OCCO	REAL300012060176	0	58	0.0	-81.56	435.95	5.79	-75.77
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1OCCO	REAL300012060177	0	58	0.0	-74.82	439.90	5.73	-69.09
CC(C)[C@H]([NH2+]CC1=CC2=CN=CC=C2C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060178	0	51	0.0	-71.01	387.08	9.18	-61.83
CC1=CC2=CC=CC(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)=C2O1	REAL300012060179	0	52	0.0	-71.95	391.20	9.87	-62.08
COC1=CSC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1OC	REAL300012060180	0	51	0.0	-74.18	396.80	7.02	-67.16
CC(C)[C@H]([NH2+]CC1=CC(S(C)(=O)=O)=CO1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060181	1	49	0.0	-85.52	388.16	4.51	-81.01
CC(C)[C@H]([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060182	0	49	0.0	-72.92	387.87	9.41	-63.51
CC(C)OC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1F	REAL300012060183	0	56	0.0	-78.96	418.34	9.68	-69.28
CC(C)[C@H]([NH2+]CC1=CC=C(F)C(Cl)=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060185	0	46	0.0	-77.60	372.70	9.30	-68.30
CC(C)[C@H]([NH2+]CC1=CC=CC(C(F)F)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060186	0	49	0.0	-77.07	376.15	9.62	-67.45
CC(C)[C@H]([NH2+]CC1=C(F)C2=CC=CC=C2C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060187	0	52	0.0	-59.09	396.56	11.01	-48.08
CC(C)[C@H]([NH2+]CC1=CC(S(C)(=O)=O)=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060188	0	49	0.0	-78.21	396.85	4.97	-73.24
CC(C)[C@H]([NH2+]CC1=CSC(Cl)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060189	0	43	0.0	-71.37	353.38	8.40	-62.97
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=NN1C1CCC1	REAL300012060190	0	56	0.0	-74.27	413.17	9.37	-64.90
CC1=NN(C2CCCC2)C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012060191	0	59	0.0	-79.79	431.75	9.95	-69.84
CC(C)[C@H]([NH2+]CC1=CC=NN1CC(F)F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060192	0	49	0.0	-71.81	381.51	7.46	-64.35
CC(C)[C@H]([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060193	0	53	0.0	-79.63	411.55	10.14	-69.49
CC(C)[C@H]([NH2+]CC1=NN(C2CCC2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060195	1	53	0.0	-69.21	394.33	8.39	-60.82
CC(C)[C@H]([NH2+]CC1=NN(CC(F)F)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060196	1	49	0.0	-72.89	380.36	7.59	-65.30
CC(C)[C@H]([NH2+]CC1=NN(C2CC2(F)F)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060197	1	50	0.0	-69.97	389.30	8.14	-61.83
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060198	0	62	0.0	-76.72	446.89	10.53	-66.19
CC(C)[C@H]([NH2+]CC1=CN(C2CCOCC2)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060199	0	57	0.0	-66.14	421.63	7.40	-58.74
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060200	0	60	0.0	-76.03	436.33	7.93	-68.10
CC1=CN(C)C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=N1	REAL300012060201	1	49	0.0	-75.65	363.40	7.64	-68.01
CC(C)[C@H]([NH2+]CC1=NN(C2CCCC2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060202	1	56	0.0	-68.71	411.93	9.06	-59.65
CC(C)[C@H]([NH2+]CC1=CC(S(N)(=O)=O)=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060203	0	48	0.0	-82.83	388.72	2.74	-80.09
CC(C)[C@H]([NH2+]CC1=NC=C(Cl)C=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060204	1	45	0.0	-60.46	371.64	7.77	-52.69
CC1=NSC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060205	0	45	0.0	-78.21	342.39	6.84	-71.37
CC1=NN(C2CCCC2)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060206	0	59	0.0	-76.73	428.87	9.83	-66.90
CC(C)[C@H]([NH2+]CC1=CC=CC=C1C(F)F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060207	0	49	0.0	-72.42	369.76	9.83	-62.59
CC(C)[C@H]([NH2+]CC1=CC2=CNN=C2C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060208	0	49	0.0	-78.09	372.42	7.56	-70.53
CC(C)[C@H]([NH2+]CC1=CC=C(Cl)C(F)=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060209	0	46	0.0	-78.49	373.14	9.31	-69.18
CC1=C(F)C=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060210	0	49	0.0	-63.66	365.80	9.41	-54.25
CC(C)[C@H]([NH2+]CC1=CC=CC(C2=CN(C)N=C2)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060211	0	56	0.0	-78.19	424.36	10.19	-68.00
CC1=CC=C(Br)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060212	0	49	0.0	-73.23	379.12	10.04	-63.19
COC1=C(C#N)C=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060213	0	51	0.0	-85.15	393.72	8.78	-76.37
COC1=NC2=CC=C(C[NH2+][C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)C=C2S1	REAL300012060214	0	52	0.0	-72.80	410.56	6.57	-66.23
CC(C)[C@H]([NH2+]CC1=CC=NC(Br)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060215	0	45	0.0	-83.43	360.70	7.67	-75.76
CC(C)[C@H]([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060216	1	46	0.0	-75.62	373.51	9.56	-66.06
CC1=NC(Cl)=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060217	0	48	0.0	-82.51	370.81	8.09	-74.42
CC(C)[C@H]([NH2+]CC1=CC=CC(OCC(C)(C)C)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060218	0	62	0.0	-73.56	455.76	11.10	-62.46
COC1=CC(Cl)=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012060219	0	50	0.0	-71.75	392.62	8.64	-63.11
COC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CC(F)=C1F	REAL300012060220	0	50	0.0	-81.47	388.41	8.26	-73.21
COC1=CC(C)=NC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060221	0	52	0.0	-70.50	387.39	6.86	-63.64
CC(C)[C@H]([NH2+]CC1=CN(C(C)C)C=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060222	1	52	0.0	-69.23	387.85	9.48	-59.75
COC(=O)C1=C(C)NC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1C	REAL300012060223	0	56	0.0	-75.08	422.79	8.12	-66.96
CC(C)OC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)O1	REAL300012060224	0	53	0.0	-70.93	402.30	9.05	-61.88
CC(C)[C@H]([NH2+]CC1=CC(F)=CC(C#N)=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060225	0	47	0.0	-73.41	373.36	9.16	-64.25
CC(C)[C@H]([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060226	0	62	0.0	-64.90	447.94	12.52	-52.38
COC1=CC=CC=C1C=CC[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060227	0	54	0.0	-64.39	405.56	9.36	-55.03
CC1=NN(C2CCC2)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060228	0	56	0.0	-71.21	410.79	8.68	-62.53
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=NN1CC(F)F	REAL300012060229	0	52	0.0	-79.23	400.59	8.32	-70.91
CC(C)[C@H]([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060230	0	54	0.0	-76.96	415.57	9.17	-67.79
CC(C)[C@H]([NH2+]CC1=CC(C2=CC=CO2)=NN1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060231	0	53	0.0	-68.16	409.31	8.00	-60.16
CC(C)[C@H]([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060232	0	59	0.0	-66.81	448.89	13.17	-53.64
COC1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(C)=N1	REAL300012060233	0	52	0.0	-79.64	386.09	6.15	-73.49
CCN(C)C1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C(C)=C1	REAL300012060234	0	60	0.0	-64.14	434.85	10.63	-53.51
CC(C)[C@H]([NH2+]CC1=C(Cl)C(Cl)=CS1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060235	0	43	0.0	-58.82	367.61	8.74	-50.08
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=NS1	REAL300012060236	0	45	0.0	-77.93	347.05	7.34	-70.59
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=NO1	REAL300012060237	0	45	0.0	-77.92	335.62	7.08	-70.84
CC(C)[C@H]([NH2+]CC1=CC=C(CF)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060238	0	49	0.0	-74.49	370.94	9.56	-64.93
CC(C)[C@H]([NH2+]CC1=CC=C2SC=CC2=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060239	0	49	0.0	-68.45	383.07	10.12	-58.33
CC(C)[C@H]([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060240	0	55	0.0	-71.89	417.30	10.36	-61.53
CC1=NSC(C)=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060241	0	48	0.0	-65.49	367.55	7.54	-57.95
C=CCN1C=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=N1	REAL300012060242	0	50	0.0	-72.69	383.50	8.07	-64.62
CC(C)[C@H]([NH2+]CC1=CC2=NNC=C2C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060243	0	49	0.0	-73.79	372.40	7.56	-66.23
CCC(C)C1=CC=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=C1	REAL300012060244	0	58	0.0	-71.88	422.70	11.35	-60.53
CC(C)[C@H]([NH2+]CC1=CC2=C(CCOC2)N=C1Cl)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060245	1	53	0.0	-72.40	402.73	7.34	-65.06
CC(C)[C@H]([NH2+]CC1=NC=C(CC2=CC=CC=C2)N1C)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060246	1	59	0.0	-72.15	438.79	11.12	-61.03
CC(C)[C@H]([NH2+]CC1=CC=CC(C(C)(F)F)=N1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060247	0	51	0.0	-76.48	393.46	8.87	-67.61
CC(C)[C@H]([NH2+]CC1=CC=CC2=C1CCCC2)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060248	0	56	0.0	-68.13	399.54	11.20	-56.93
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060249	0	53	0.0	-74.20	406.33	10.73	-63.47
CC(C)[C@H]([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060250	0	49	0.0	-81.98	387.71	9.88	-72.10
CC(C)[C@H]([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060251	0	52	0.0	-73.26	398.46	8.62	-64.64
CC1=C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)C=CC2=CC=CC=C21	REAL300012060252	0	55	0.0	-69.59	398.51	11.43	-58.16
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060253	0	64	0.0	-73.52	466.62	10.25	-63.27
COC1=C2C=CNC2=CC=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060254	0	54	0.0	-61.17	404.51	8.33	-52.84
CC1=NC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C(C)S1	REAL300012060255	1	48	0.0	-70.06	368.39	7.07	-62.99
CC(C)[C@H]([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060256	0	59	0.0	-76.40	432.03	6.14	-70.26
CCCN1N=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1C	REAL300012060257	0	55	0.0	-74.19	405.13	8.74	-65.45
CC1=CC(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=CN=C1N1C=CC=N1	REAL300012060258	0	55	0.0	-78.76	418.53	10.17	-68.59
COC(=O)C1=CN(C)C(C[NH2+][C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C(C)C)=C1	REAL300012060259	0	53	0.0	-77.31	408.31	8.95	-68.36
CCCN1N=C(C)C=C1C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C	REAL300012060260	0	55	0.0	-78.51	405.19	8.82	-69.69
CC(C)[C@H]([NH2+]CC1=CN=C(C(C)(C)C)O1)C(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012060261	1	54	0.0	-76.11	402.69	6.40	-69.71
CC1=CC=C(N2C=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C(C(C)(C)C)=N2)C=C1	REAL300012060262	0	55	0.0	-47.81	420.72	12.24	-35.57
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OCC1=CC=CC=C1	REAL300012060263	0	51	0.0	-48.58	412.32	11.26	-37.32
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060264	0	43	0.0	-45.25	369.42	9.98	-35.27
COC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060265	0	54	0.0	-51.82	436.49	11.97	-39.85
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012060266	0	50	0.0	-48.13	403.18	12.54	-35.59
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012060267	0	51	0.0	-48.11	429.06	11.78	-36.33
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCC1=CC=C(F)C=C1	REAL300012060268	0	51	0.0	-48.63	418.74	11.33	-37.30
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)=C2)C=C1	REAL300012060269	0	51	0.0	-50.32	413.01	9.41	-40.91
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(NC(=O)C2=CC=CC=C2Cl)=C1)C(=O)[O-]	REAL300012060270	0	47	0.0	-48.86	392.39	10.42	-38.44
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCC(=O)N1CCOCC1	REAL300012060271	0	56	0.0	-62.22	439.06	8.14	-54.08
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(CCC#N)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012060272	0	47	0.0	-50.81	389.53	10.50	-40.31
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OC(F)F	REAL300012060273	0	41	0.0	-49.72	340.32	7.57	-42.15
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300012060274	0	50	0.0	-55.75	423.98	13.19	-42.56
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1)C(=O)[O-]	REAL300012060275	0	49	0.0	-57.59	402.15	10.90	-46.69
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012060276	0	50	0.0	-50.05	423.75	13.19	-36.86
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1)C(=O)[O-]	REAL300012060277	0	40	0.0	-48.55	350.96	10.44	-38.11
CCOC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(Br)=C1OC	REAL300012060278	0	44	0.0	-48.68	376.77	8.95	-39.73
CCOC1=C(Br)C=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300012060279	0	44	0.0	-52.74	374.68	8.83	-43.91
C=CCOC1=C(Br)C=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300012060280	0	45	0.0	-53.15	387.58	9.40	-43.75
C=CCOC1=C(Br)C=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OCC	REAL300012060281	0	48	0.0	-48.83	411.53	10.48	-38.35
CCCOC1=C(Br)C=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300012060282	0	47	0.0	-52.70	396.18	9.63	-43.07
CCCOC1=CC=C(Br)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060283	0	43	0.0	-40.72	364.59	9.79	-30.93
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1)C(=O)[O-]	REAL300012060284	0	47	0.0	-48.25	379.41	11.27	-36.98
CCCCCOC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060285	0	49	0.0	-46.63	385.58	10.51	-36.12
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C(=O)[O-]	REAL300012060286	0	42	0.0	-52.72	357.86	10.49	-42.23
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1)C(=O)[O-]	REAL300012060287	0	42	0.0	-54.12	357.85	10.49	-43.63
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1Br	REAL300012060288	0	37	0.0	-50.33	319.34	7.90	-42.43
CCCCOC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300012060289	0	50	0.0	-53.46	393.02	9.63	-43.83
CCCOC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300012060290	0	47	0.0	-47.12	373.91	9.01	-38.11
C=CCOC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300012060291	0	45	0.0	-47.50	365.32	8.79	-38.71
CCCCCCOC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300012060292	0	56	0.0	-47.00	438.41	11.35	-35.65
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1)C(=O)[O-]	REAL300012060293	0	40	0.0	-48.49	346.39	10.34	-38.15
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1)C(=O)[O-]	REAL300012060294	0	40	0.0	-49.91	345.18	10.27	-39.64
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1)C(=O)[O-]	REAL300012060295	0	40	0.0	-47.98	350.96	10.43	-37.55
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C(=O)[O-]	REAL300012060296	0	40	0.0	-42.81	356.36	11.39	-31.42
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(OC)=C1OCC1=CC=CC=C1	REAL300012060297	0	55	0.0	-50.83	442.19	11.34	-39.49
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1)C(=O)[O-]	REAL300012060298	0	42	0.0	-53.34	354.05	11.10	-42.24
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C)N=C1C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300012060299	0	52	0.0	-53.17	411.53	9.32	-43.85
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300012060300	0	39	0.0	-49.53	340.75	8.80	-40.73
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300012060301	0	37	0.0	-44.71	316.39	7.96	-36.75
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012060302	0	37	0.0	-48.86	326.14	9.39	-39.47
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C([N+](=O)[O-])C=C1O	REAL300012060303	0	40	0.0	-54.24	331.81	5.79	-48.45
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300012060304	0	37	0.0	-48.79	315.74	7.72	-41.07
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1)C(=O)[O-]	REAL300012060305	0	42	0.0	-47.79	367.82	11.54	-36.25
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C(=O)[O-]	REAL300012060306	0	42	0.0	-45.49	368.29	11.60	-33.89
C[C@@H]1C[C@@]1(C[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300012060307	0	40	0.0	-48.74	334.45	8.03	-40.71
COC1=CC=C(C2=NNC=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060308	0	44	0.0	-49.67	357.63	7.24	-42.43
CCOC1=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(C)=NN1CC(C)C	REAL300012060309	0	52	0.0	-43.46	395.44	8.06	-35.40
C[C@@H]1C[C@@]1(C[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300012060310	0	46	0.0	-60.58	367.70	6.91	-53.67
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OCC2CCCO2)C=C1)C(=O)[O-]	REAL300012060311	0	48	0.0	-48.38	378.17	8.61	-39.77
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300012060312	0	40	0.0	-43.23	346.04	10.93	-32.30
CC1=CC=CC(C2=NN(C3=CC=C(F)C=C3)C=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060313	0	53	0.0	-57.11	430.04	13.19	-43.92
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1)C(=O)[O-]	REAL300012060314	0	46	0.0	-43.95	374.42	9.74	-34.21
COC1=NC2=CC=CC=C2C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060315	0	42	0.0	-47.32	340.30	6.93	-40.39
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)S1)C(=O)[O-]	REAL300012060316	0	40	0.0	-42.83	360.93	11.49	-31.34
CC(C)N1N=CC2=CC(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)=C(Cl)N=C21	REAL300012060317	0	44	0.0	-47.89	370.66	9.20	-38.69
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300012060318	0	40	0.0	-41.78	356.42	11.39	-30.39
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCC1=CC=NC=C1	REAL300012060319	0	50	0.0	-50.04	407.20	9.49	-40.55
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1)C(=O)[O-]	REAL300012060320	0	40	0.0	-42.55	348.82	11.04	-31.51
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC=C2Br)S1)C(=O)[O-]	REAL300012060321	0	40	0.0	-41.76	359.99	11.46	-30.30
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300012060322	0	36	0.0	-41.08	322.71	9.58	-31.50
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300012060323	0	36	0.0	-58.77	313.74	8.98	-49.79
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300012060324	0	36	0.0	-47.56	303.16	9.07	-38.49
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012060325	0	36	0.0	-50.97	314.63	9.01	-41.96
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300012060326	0	36	0.0	-42.35	315.38	9.15	-33.20
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(Cl)=C1OC	REAL300012060327	0	41	0.0	-49.45	346.47	7.87	-41.58
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060328	0	49	0.0	-44.66	405.07	11.22	-33.44
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)S1)C(=O)[O-]	REAL300012060329	0	40	0.0	-43.21	360.97	11.49	-31.72
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300012060330	0	37	0.0	-44.55	326.42	8.23	-36.32
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300012060331	0	40	0.0	-43.25	356.41	11.39	-31.86
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OCC2=CC=CC(C#N)=C2)=C1)C(=O)[O-]	REAL300012060332	0	48	0.0	-52.20	401.51	11.61	-40.59
C[C@@H]1C[C@@]1(C[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300012060333	0	43	0.0	-56.75	354.34	6.60	-50.15
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCC(F)(F)F	REAL300012060334	0	44	0.0	-49.56	371.99	8.67	-40.89
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300012060335	0	46	0.0	-48.18	378.07	9.59	-38.59
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300012060336	0	39	0.0	-50.47	334.59	7.74	-42.73
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=C2OCCCOC2=C1)C(=O)[O-]	REAL300012060337	0	42	0.0	-50.71	353.03	8.52	-42.19
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C(=O)[O-]	REAL300012060338	0	43	0.0	-52.30	369.46	10.12	-42.18
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(C2=CC=CC=N2)=N1)C(=O)[O-]	REAL300012060339	0	38	0.0	-46.60	329.68	6.86	-39.74
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060340	0	45	0.0	-43.34	346.44	9.54	-33.80
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)N=C1)C(=O)[O-]	REAL300012060341	0	49	0.0	-53.87	389.94	8.02	-45.85
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C(=O)[O-]	REAL300012060342	0	40	0.0	-46.51	342.74	8.78	-37.73
CCCN1C2=CC=CC=C2N=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060343	0	45	0.0	-43.13	350.28	10.03	-33.10
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(Br)=C1OC(F)F	REAL300012060344	0	41	0.0	-54.26	360.23	8.15	-46.11
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300012060345	0	40	0.0	-42.96	337.84	10.67	-32.29
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OC2CCCC2)=C1)C(=O)[O-]	REAL300012060346	0	47	0.0	-42.22	365.91	10.28	-31.94
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C)N=C1C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012060347	0	46	0.0	-53.22	378.29	9.99	-43.23
CC1=CC=C(C2=NC(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)=CS2)C=C1	REAL300012060348	0	42	0.0	-48.92	355.75	9.41	-39.51
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C(=O)[O-]	REAL300012060349	0	47	0.0	-51.40	384.40	11.38	-40.02
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1)C(=O)[O-]	REAL300012060350	0	43	0.0	-44.34	368.21	8.40	-35.94
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)C(=O)[O-]	REAL300012060351	0	42	0.0	-50.14	373.04	9.74	-40.40
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300012060352	0	43	0.0	-44.01	384.94	8.92	-35.09
CC1=CC=C(OCC2=NC(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)=CS2)C=C1	REAL300012060353	0	46	0.0	-44.31	389.62	9.07	-35.24
COC1=CC=C(OCC2=NC(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)=CS2)C=C1	REAL300012060354	0	47	0.0	-45.56	397.71	7.68	-37.88
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(C2=CSC=C2)=N1)C(=O)[O-]	REAL300012060355	0	36	0.0	-41.57	327.65	7.81	-33.76
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300012060356	0	40	0.0	-43.96	346.09	10.93	-33.03
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OCC(=O)N(C)C)C(=O)[O-]	REAL300012060357	0	47	0.0	-57.85	375.52	8.80	-49.05
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C([N+](=O)[O-])C=C1OCC(F)(F)F	REAL300012060358	0	46	0.0	-54.30	391.71	9.24	-45.06
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OC1CCCC1)C(=O)[O-]	REAL300012060359	0	47	0.0	-45.75	362.54	10.19	-35.56
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060360	0	50	0.0	-44.10	403.88	9.02	-35.08
CC1=CC=C(C2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)S2)C=C1	REAL300012060361	0	43	0.0	-42.58	361.04	11.54	-31.04
COC1=CC(OC)=CC(OC2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C=C2)=C1	REAL300012060362	0	52	0.0	-50.47	415.90	9.38	-41.09
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F)C(=O)[O-]	REAL300012060363	0	39	0.0	-49.47	337.90	8.38	-41.09
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060364	0	37	0.0	-46.64	334.11	8.53	-38.11
CCOCCOC1=CC=C(Br)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060365	0	47	0.0	-40.46	398.57	9.22	-31.24
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300012060366	0	33	0.0	-39.49	304.97	9.18	-30.31
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300012060367	0	33	0.0	-38.96	303.99	9.18	-29.78
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)C(=O)[O-]	REAL300012060368	0	44	0.0	-43.65	369.12	11.12	-32.53
CCOC1=C(OC)C=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300012060369	0	48	0.0	-51.79	385.69	8.14	-43.65
COCCCOC1=CC=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060370	0	47	0.0	-52.27	375.95	8.03	-44.24
COC1=CC=C(OC(F)F)C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060371	0	41	0.0	-46.08	337.10	6.84	-39.24
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(Br)=C1OC(F)F)C(=O)[O-]	REAL300012060372	0	37	0.0	-45.78	327.43	8.33	-37.45
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Cl)C=CC=C1OC(F)F)C(=O)[O-]	REAL300012060373	0	37	0.0	-43.63	321.45	7.99	-35.64
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012060374	0	53	0.0	-45.67	426.08	12.92	-32.75
CC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OC1=CC=CN=C1	REAL300012060375	0	46	0.0	-54.65	371.34	9.60	-45.05
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1)C(=O)[O-]	REAL300012060376	0	51	0.0	-45.21	410.22	9.52	-35.69
CC1=CC=C(C2=NC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)S2)C=C1	REAL300012060377	0	42	0.0	-50.17	355.84	9.63	-40.54
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012060378	0	38	0.0	-42.64	328.28	9.11	-33.53
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12)C(=O)[O-]	REAL300012060379	0	38	0.0	-45.20	326.08	9.03	-36.17
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)C(=O)[O-]	REAL300012060380	0	40	0.0	-46.45	346.51	10.14	-36.31
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)O1	REAL300012060381	0	43	0.0	-49.95	356.62	10.59	-39.36
CCC1=CC=C(C2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)O2)C=C1	REAL300012060382	0	46	0.0	-47.70	372.55	11.26	-36.44
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(OC(F)F)=C1	REAL300012060383	0	41	0.0	-48.26	339.15	7.01	-41.25
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1)C(=O)[O-]	REAL300012060384	0	41	0.0	-46.74	338.55	9.85	-36.89
CC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1Br	REAL300012060385	0	36	0.0	-51.15	308.91	9.12	-42.03
CC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1Br	REAL300012060386	0	36	0.0	-50.42	308.90	9.12	-41.30
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C(=O)[O-]	REAL300012060387	0	52	0.0	-43.66	408.13	12.29	-31.37
CC1=CC=C(C)C(OC2=CC=CC(Cl)=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1C	REAL300012060388	0	53	0.0	-41.42	428.40	13.18	-28.24
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060389	0	53	0.0	-41.43	404.98	11.16	-30.27
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060390	0	53	0.0	-39.84	414.23	11.20	-28.64
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C=C2C)=C1	REAL300012060391	0	56	0.0	-51.10	443.84	13.39	-37.71
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C	REAL300012060392	0	56	0.0	-51.35	438.67	13.42	-37.93
CC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300012060393	0	53	0.0	-50.55	435.65	13.32	-37.23
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060394	0	51	0.0	-47.99	401.63	12.67	-35.32
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060395	0	49	0.0	-46.93	408.70	11.05	-35.88
CCN(CC)C1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1F	REAL300012060396	0	47	0.0	-50.17	368.69	8.99	-41.18
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C(SC)C=C1OC	REAL300012060397	0	45	0.0	-45.08	366.15	8.23	-36.85
COC1=CC=C2N=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)SC2=C1	REAL300012060398	0	39	0.0	-46.82	333.44	6.90	-39.92
C[C@@H]1C[C@@]1(C[NH2+]CC1=NC2=CC=C(Cl)C=C2N1C)C(=O)[O-]	REAL300012060399	0	39	0.0	-46.65	335.79	8.97	-37.68
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(SC(F)F)C=C1)C(=O)[O-]	REAL300012060400	0	37	0.0	-47.56	319.56	9.19	-38.37
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300012060401	0	37	0.0	-54.49	314.90	7.58	-46.91
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060402	0	39	0.0	-44.71	322.68	9.78	-34.93
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(Cl)=C1OC	REAL300012060403	0	41	0.0	-53.04	348.44	7.76	-45.28
CCOC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OC(C)C(=O)N(C)C	REAL300012060404	0	57	0.0	-61.31	439.80	9.76	-51.55
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=CC=C1OC(F)F)C(=O)[O-]	REAL300012060405	0	37	0.0	-44.39	330.99	8.34	-36.05
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060406	0	49	0.0	-49.49	409.64	11.09	-38.40
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OCC(C)C	REAL300012060407	0	50	0.0	-52.21	391.62	9.53	-42.68
CCCOC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OC	REAL300012060408	0	47	0.0	-52.37	371.52	8.85	-43.52
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Br)S1)C(=O)[O-]	REAL300012060409	0	30	0.0	-42.71	283.69	7.92	-34.79
CCOC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(Cl)=C1OC	REAL300012060410	0	44	0.0	-48.90	372.39	8.84	-40.06
COC1=CC=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1OC(C)C	REAL300012060411	0	47	0.0	-47.40	364.25	9.14	-38.26
CCOC1=C(Cl)C=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300012060412	0	44	0.0	-52.94	370.30	8.71	-44.23
CCCOC1=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=CC=C1OCC	REAL300012060413	0	50	0.0	-46.18	394.95	10.06	-36.12
CCCCOC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OC	REAL300012060414	0	50	0.0	-52.47	393.01	9.63	-42.84
CCCOC1=C(Cl)C=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OCC	REAL300012060415	0	50	0.0	-48.71	415.74	10.60	-38.11
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060416	0	49	0.0	-46.20	405.74	11.59	-34.61
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC(F)F	REAL300012060417	0	41	0.0	-49.41	337.92	7.42	-41.99
CCOC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OC(F)F	REAL300012060418	0	44	0.0	-55.33	359.77	8.33	-47.00
CC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(C)=C1OC(F)F	REAL300012060419	0	43	0.0	-51.72	346.73	8.92	-42.80
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(C2=CC=CC(Br)=C2)=N1)C(=O)[O-]	REAL300012060420	0	39	0.0	-46.26	355.56	9.34	-36.92
CC1=CC=C(C2=NN(C3=CC=C(F)C=C3)C=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060421	0	53	0.0	-50.06	431.52	13.22	-36.84
CCOC1=CC2=C(C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C)OC(C)C2	REAL300012060422	0	48	0.0	-41.86	378.72	8.98	-32.88
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC2=C1OCCO2	REAL300012060423	0	43	0.0	-52.61	343.44	6.95	-45.66
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1)C(=O)[O-]	REAL300012060424	0	42	0.0	-49.42	366.53	9.53	-39.89
CCCCN1N=C(C)C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1Cl	REAL300012060425	0	45	0.0	-48.86	372.38	8.98	-39.88
CCOC1=CC=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1OC(F)F	REAL300012060426	0	44	0.0	-45.45	360.49	8.59	-36.86
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1)C(=O)[O-]	REAL300012060427	0	51	0.0	-58.43	403.68	10.09	-48.34
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C	REAL300012060428	0	56	0.0	-52.98	445.60	13.86	-39.12
CC1=CC=CC(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060429	0	56	0.0	-51.12	450.74	13.91	-37.21
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012060430	0	53	0.0	-46.70	428.57	13.00	-33.70
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012060431	0	40	0.0	-42.64	339.64	10.87	-31.77
CCCOC1=C(Cl)C=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300012060432	0	47	0.0	-52.85	391.79	9.52	-43.33
CC1=CC=C(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060433	0	56	0.0	-48.20	453.87	13.81	-34.39
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C(C)(C)C)C(=O)[O-]	REAL300012060434	0	55	0.0	-47.41	424.73	12.03	-35.38
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1C(C)(C)C)C(=O)[O-]	REAL300012060435	0	52	0.0	-47.07	412.02	11.64	-35.43
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060436	0	52	0.0	-43.12	430.55	11.71	-31.41
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1)C(=O)[O-]	REAL300012060437	0	40	0.0	-52.47	343.95	9.96	-42.51
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060438	0	56	0.0	-53.84	440.60	10.55	-43.29
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C)N=C1C1CCCCC1)C(=O)[O-]	REAL300012060439	0	49	0.0	-51.51	376.25	9.47	-42.04
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=CC=C2Cl)N=C1C(C)(C)C)C(=O)[O-]	REAL300012060440	0	52	0.0	-48.71	414.27	12.45	-36.26
C[C@@H]1C[C@@]1(C[NH2+]CC1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300012060441	0	45	0.0	-48.85	353.65	8.59	-40.26
C[C@@H]1C[C@@]1(C[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012060442	0	40	0.0	-47.97	344.77	8.48	-39.49
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCC1=C(C)ON=C1C	REAL300012060443	0	53	0.0	-50.94	429.61	10.03	-40.91
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1)C(=O)[O-]	REAL300012060444	0	40	0.0	-50.98	337.40	9.93	-41.05
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=C2OCCOC2=C1)C(=O)[O-]	REAL300012060445	0	39	0.0	-50.67	330.21	7.61	-43.06
CCCCC1=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C2=CC=CC=C2O1	REAL300012060446	0	48	0.0	-43.01	381.28	11.70	-31.31
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300012060447	0	46	0.0	-54.60	376.67	12.59	-42.01
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCC1=CC=CS1	REAL300012060448	0	48	0.0	-53.76	400.17	10.18	-43.58
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060449	0	46	0.0	-54.04	373.49	10.12	-43.92
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300012060450	0	42	0.0	-50.94	348.64	8.42	-42.52
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C(=O)[O-]	REAL300012060451	0	47	0.0	-50.94	393.85	11.79	-39.15
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300012060452	0	40	0.0	-54.90	346.57	8.70	-46.20
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1)C(=O)[O-]	REAL300012060453	0	39	0.0	-49.37	345.54	8.83	-40.54
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1)C(=O)[O-]	REAL300012060454	0	39	0.0	-50.18	344.91	8.33	-41.85
CC1=CC(Br)=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1OC(F)F	REAL300012060455	0	40	0.0	-41.76	347.08	8.95	-32.81
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=C(Cl)S1)C(=O)[O-]	REAL300012060456	0	30	0.0	-50.35	297.14	8.24	-42.11
CC1=CC=C(SC2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C=C2[N+](=O)[O-])C=C1	REAL300012060457	0	49	0.0	-51.97	417.45	13.37	-38.60
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012060458	0	50	0.0	-53.93	407.35	13.04	-40.89
COC1=CC=C(C2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)O2)C([N+](=O)[O-])=C1	REAL300012060459	0	46	0.0	-46.90	385.56	10.55	-36.35
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1)C(=O)[O-]	REAL300012060460	0	40	0.0	-49.96	361.55	10.79	-39.17
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012060461	0	46	0.0	-54.09	394.67	12.41	-41.68
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC2=CC=CC=C2Cl)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012060462	0	46	0.0	-66.75	401.34	12.67	-54.08
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060463	0	46	0.0	-49.56	388.26	10.41	-39.15
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060464	0	46	0.0	-45.70	401.85	10.88	-34.82
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CS1)C(=O)[O-]	REAL300012060465	0	50	0.0	-47.55	419.83	12.42	-35.13
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1)C(=O)[O-]	REAL300012060466	0	52	0.0	-47.29	424.57	11.19	-36.10
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060467	0	43	0.0	-51.86	379.53	10.43	-41.43
CC1=NN(CC2=CC=C(Cl)C=C2)C(Cl)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060468	0	46	0.0	-49.61	405.05	10.94	-38.67
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OC(C)C	REAL300012060469	0	47	0.0	-47.05	370.34	8.82	-38.23
CCCOC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OCC	REAL300012060470	0	50	0.0	-52.28	393.37	9.77	-42.51
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060471	0	46	0.0	-50.20	394.73	10.48	-39.72
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Br)C(Br)=C1)C(=O)[O-]	REAL300012060472	0	33	0.0	-51.41	309.68	9.10	-42.31
CCCCCCCOC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060473	0	55	0.0	-46.59	428.58	12.08	-34.51
CC(C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C)CC1=CC=C(C(C)(C)C)C=C1	REAL300012060474	0	54	0.0	-40.67	401.45	12.60	-28.07
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Br)C=CS1)C(=O)[O-]	REAL300012060475	0	30	0.0	-40.26	281.46	7.72	-32.54
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1N1CCOCC1)C(=O)[O-]	REAL300012060476	0	46	0.0	-45.95	352.11	7.46	-38.49
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300012060477	0	33	0.0	-39.54	293.66	8.74	-30.80
CC1=CC=C(C2=CC=CC(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)=C2)C=C1	REAL300012060478	0	46	0.0	-49.57	365.04	12.02	-37.55
COC1=CC=C(Br)C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060479	0	37	0.0	-38.98	316.74	7.96	-31.02
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060480	0	46	0.0	-43.79	367.84	12.17	-31.62
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012060481	0	39	0.0	-55.27	347.54	9.96	-45.31
CCOC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OCC	REAL300012060482	0	47	0.0	-52.47	371.87	8.97	-43.50
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300012060483	0	36	0.0	-57.73	321.32	9.34	-48.39
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300012060484	0	33	0.0	-40.98	293.68	8.74	-32.24
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300012060485	0	37	0.0	-49.95	315.42	7.73	-42.22
COC1=CC=CC=C1C1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060486	0	47	0.0	-47.45	377.97	10.99	-36.46
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)C(=O)[O-]	REAL300012060487	0	43	0.0	-48.81	368.38	10.81	-38.00
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(Br)=C1O	REAL300012060488	0	38	0.0	-48.66	327.45	5.80	-42.86
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(Br)=C1)C(=O)[O-]	REAL300012060489	0	30	0.0	-43.03	280.18	7.91	-35.12
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OCC1=CC=CN=C1	REAL300012060490	0	50	0.0	-50.50	407.16	9.47	-41.03
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1)C(=O)[O-]	REAL300012060491	0	40	0.0	-43.84	371.55	11.84	-32.00
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1)C(=O)[O-]	REAL300012060492	0	46	0.0	-43.59	391.17	10.00	-33.59
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C(C2=CC=CC=C2)C=C1OC	REAL300012060493	0	51	0.0	-46.31	400.71	10.52	-35.79
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1)C(=O)[O-]	REAL300012060494	0	46	0.0	-46.16	376.50	9.66	-36.50
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OCC2=CC=C(Cl)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300012060495	0	47	0.0	-48.35	412.93	12.17	-36.18
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300012060496	0	33	0.0	-52.61	296.42	8.60	-44.01
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012060497	1	50	0.0	-45.49	378.95	6.63	-38.86
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C(=O)[O-]	REAL300012060498	0	42	0.0	-52.11	350.53	6.42	-45.69
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300012060499	0	40	0.0	-53.00	334.66	9.21	-43.79
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060500	0	46	0.0	-53.57	383.80	10.58	-42.99
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300012060501	0	40	0.0	-52.62	344.97	9.67	-42.95
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060502	0	46	0.0	-54.63	378.09	10.25	-44.38
CC1=NN(C2=CC=C(Br)C=C2)C(C)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060503	0	46	0.0	-53.55	388.37	10.68	-42.87
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1)C(=O)[O-]	REAL300012060504	0	40	0.0	-44.63	373.31	10.12	-34.51
CC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(C)=C1OCC1=CC=CC=N1	REAL300012060505	0	52	0.0	-52.29	415.25	11.03	-41.26
COC1=CC=CC(COC2=CC=CC(Cl)=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060506	0	51	0.0	-39.73	422.95	11.00	-28.73
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300012060507	0	40	0.0	-49.78	340.67	8.62	-41.16
CCOC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCC1=CC=CC=C1	REAL300012060508	0	54	0.0	-53.80	431.78	12.03	-41.77
CC(C)C1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1[N+](=O)[O-]	REAL300012060509	0	44	0.0	-50.02	356.89	10.59	-39.43
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=C2OCOC2=C1)C(=O)[O-]	REAL300012060510	0	36	0.0	-54.77	316.78	7.21	-47.56
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060511	0	49	0.0	-45.03	394.01	10.69	-34.34
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060512	0	49	0.0	-49.30	403.50	11.00	-38.30
CCOC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCC(C)C	REAL300012060513	0	53	0.0	-51.98	413.47	10.45	-41.53
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300012060514	0	33	0.0	-40.74	297.65	8.75	-31.99
COC1=CC(Br)=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300012060515	0	41	0.0	-42.37	345.94	7.88	-34.49
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300012060516	0	33	0.0	-42.10	297.68	8.76	-33.34
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=CS1)C(=O)[O-]	REAL300012060517	0	30	0.0	-41.25	280.22	7.96	-33.29
CCCCOC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OCC	REAL300012060518	0	53	0.0	-52.31	414.87	10.55	-41.76
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300012060519	0	46	0.0	-55.53	398.51	12.52	-43.01
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060520	0	46	0.0	-49.51	366.04	10.02	-39.49
COC1=CC=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1OC(F)F	REAL300012060521	0	41	0.0	-45.59	338.66	7.67	-37.92
CCC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060522	0	56	0.0	-49.49	449.91	14.12	-35.37
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(CSC(F)F)O1)C(=O)[O-]	REAL300012060523	0	37	0.0	-44.31	332.32	8.67	-35.64
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1)C(=O)[O-]	REAL300012060524	0	53	0.0	-46.77	410.38	11.36	-35.41
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300012060526	0	33	0.0	-52.22	296.42	8.59	-43.63
CC1=CC=C(COC2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C=C2)C=C1	REAL300012060527	0	50	0.0	-47.59	402.42	11.88	-35.71
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N2CCCCC2)C=C1)C(=O)[O-]	REAL300012060528	0	48	0.0	-45.02	362.68	9.21	-35.81
CCCCCCOC1=CC=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060529	0	52	0.0	-44.04	409.17	11.46	-32.58
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OCCCC#N)=C1)C(=O)[O-]	REAL300012060530	0	44	0.0	-50.59	365.54	9.63	-40.96
CCCCCOC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OC	REAL300012060531	0	53	0.0	-52.45	414.51	10.41	-42.04
CCC(C)OC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OC	REAL300012060532	0	50	0.0	-52.10	388.87	9.48	-42.62
CCCCCCCOC1=CC=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060533	0	55	0.0	-44.02	430.66	12.24	-31.78
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OCCCC#N	REAL300012060534	0	48	0.0	-63.51	392.37	9.37	-54.14
C=C(C)COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OC	REAL300012060535	0	48	0.0	-53.44	382.33	9.41	-44.03
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OCCC(C)C	REAL300012060536	0	53	0.0	-52.44	410.58	10.15	-42.29
C=CCC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(OC)=C1O	REAL300012060537	0	45	0.0	-50.24	364.60	7.07	-43.17
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060538	0	42	0.0	-46.26	350.00	9.04	-37.22
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060539	0	43	0.0	-47.46	367.03	6.45	-41.01
CCOC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCC(F)(F)F	REAL300012060540	0	47	0.0	-54.98	391.44	9.43	-45.55
C[C@@H]1C[C@@]1(C[NH2+]CC1=NC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300012060541	0	39	0.0	-46.66	334.95	8.86	-37.80
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1)C(=O)[O-]	REAL300012060542	0	46	0.0	-51.97	363.46	7.07	-44.90
C=CCOC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1Cl	REAL300012060543	0	41	0.0	-50.55	349.71	9.29	-41.26
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012060544	0	39	0.0	-50.29	334.45	8.96	-41.33
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C2OC(C)CC2=C1	REAL300012060545	0	45	0.0	-44.15	358.04	7.96	-36.19
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(C2=CC=CS2)=N1)C(=O)[O-]	REAL300012060546	0	36	0.0	-41.97	328.25	7.91	-34.06
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012060547	0	36	0.0	-50.18	324.96	9.44	-40.74
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012060548	0	36	0.0	-50.21	329.52	9.55	-40.66
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300012060549	0	33	0.0	-40.82	305.00	9.18	-31.64
CC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(Br)=C1	REAL300012060550	0	36	0.0	-37.30	305.35	9.48	-27.82
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C(C)(C)C)N=C1C1=CC=CC=C1Cl)C(=O)[O-]	REAL300012060551	0	52	0.0	-50.31	422.66	11.91	-38.40
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1)C(=O)[O-]	REAL300012060552	0	48	0.0	-52.74	398.20	11.63	-41.11
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300012060553	0	37	0.0	-53.11	324.70	8.06	-45.05
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)C(=O)[O-]	REAL300012060554	0	41	0.0	-47.83	364.82	9.55	-38.28
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Cl)N(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012060555	0	43	0.0	-43.61	364.49	9.41	-34.20
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300012060556	0	38	0.0	-42.33	326.82	8.38	-33.95
CC1=C(Br)SC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060557	0	33	0.0	-42.79	303.29	8.52	-34.27
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Br)C2=CC=CN=C12)C(=O)[O-]	REAL300012060558	0	38	0.0	-45.34	330.13	9.12	-36.22
COC1=CC=C(OC2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C=C2)C=C1	REAL300012060559	0	48	0.0	-48.03	386.42	10.06	-37.97
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C=C2)=C1	REAL300012060560	0	49	0.0	-47.00	386.76	12.66	-34.34
CC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1N1C=NC=N1	REAL300012060561	0	42	0.0	-49.54	346.15	11.62	-37.92
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060562	0	43	0.0	-49.46	366.99	10.41	-39.05
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300012060563	0	47	0.0	-45.86	389.50	11.44	-34.42
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012060564	0	44	0.0	-48.88	368.49	12.04	-36.84
CC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C(OC(F)F)C=C1C	REAL300012060565	0	43	0.0	-44.55	348.07	8.94	-35.61
C[C@@H]1C[C@@]1(C[NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1)C(=O)[O-]	REAL300012060566	0	39	0.0	-51.50	366.36	9.81	-41.69
C[C@@H]1C[C@@]1(C[NH2+]CC1=NC2=CC(Cl)=CC=C2N1C)C(=O)[O-]	REAL300012060567	0	39	0.0	-47.24	335.86	8.97	-38.27
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Cl)C=CC=C1S(C)(=O)=O)C(=O)[O-]	REAL300012060568	0	39	0.0	-46.22	326.95	6.03	-40.19
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060569	0	42	0.0	-44.23	355.49	7.57	-36.66
CC(C)SC1=CC(Br)=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060570	0	43	0.0	-42.61	366.53	11.01	-31.60
CSC1=CC(Br)=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060571	0	37	0.0	-43.02	328.79	9.63	-33.39
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300012060572	0	43	0.0	-47.59	362.59	9.82	-37.77
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC(F)F)C(Br)=C1)C(=O)[O-]	REAL300012060573	0	37	0.0	-52.84	329.09	8.18	-44.66
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1)C(=O)[O-]	REAL300012060574	0	46	0.0	-47.75	394.91	10.75	-37.00
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060575	0	47	0.0	-43.56	374.03	10.88	-32.68
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060576	0	47	0.0	-42.77	373.99	10.86	-31.91
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060577	0	46	0.0	-45.62	369.25	9.11	-36.51
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300012060578	0	44	0.0	-52.32	377.10	11.30	-41.02
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Br)C=C1N1CCOCC1)C(=O)[O-]	REAL300012060579	0	46	0.0	-49.38	375.47	8.12	-41.26
COC1=CC(Cl)=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1Cl	REAL300012060580	0	37	0.0	-44.11	330.03	8.38	-35.73
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN=C(C2=CC=CS2)S1)C(=O)[O-]	REAL300012060581	0	36	0.0	-48.49	326.64	8.02	-40.47
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN=C(C2=CSC=C2)S1)C(=O)[O-]	REAL300012060582	0	36	0.0	-49.97	325.58	7.90	-42.07
CC1=CC=C(C2=NC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)S2)O1	REAL300012060583	0	39	0.0	-51.18	339.13	7.86	-43.32
CC1=CC(Br)=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060584	0	36	0.0	-42.81	305.23	9.40	-33.41
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300012060585	0	33	0.0	-51.31	305.54	9.00	-42.31
C[C@@H]1C[C@@]1(C[NH2+]CC1=CNN=C1C1=CC=CC=C1F)C(=O)[O-]	REAL300012060586	0	40	0.0	-57.41	331.69	7.87	-49.54
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)C(=O)[O-]	REAL300012060587	0	42	0.0	-44.52	345.74	9.79	-34.73
C[C@@H]1C[C@@]1(C[NH2+]CC1=NC=C(Br)C=C1Br)C(=O)[O-]	REAL300012060588	0	32	0.0	-39.10	306.22	7.36	-31.74
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300012060589	0	33	0.0	-40.33	304.01	9.18	-31.15
COC1=C(Br)C=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060590	0	37	0.0	-47.23	321.80	8.13	-39.10
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C)N=C1C1=CC=CS1)C(=O)[O-]	REAL300012060591	0	40	0.0	-45.85	338.45	8.55	-37.30
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1)C(=O)[O-]	REAL300012060592	0	47	0.0	-40.17	381.22	10.86	-29.31
COC1=CC(Br)=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(OC)=C1	REAL300012060593	0	41	0.0	-39.11	345.13	7.09	-32.02
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1)C(=O)[O-]	REAL300012060594	0	44	0.0	-42.39	369.58	11.17	-31.22
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC2=CC=CC(Br)=C2)C=C1)C(=O)[O-]	REAL300012060595	0	44	0.0	-51.25	378.64	11.41	-39.84
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1)C(=O)[O-]	REAL300012060596	0	48	0.0	-44.32	395.44	9.29	-35.03
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060597	0	43	0.0	-49.49	371.57	10.52	-38.97
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C(C)(C)C)C(=O)[O-]	REAL300012060598	0	52	0.0	-47.19	396.83	11.65	-35.54
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1)C(=O)[O-]	REAL300012060599	0	40	0.0	-49.01	336.08	9.89	-39.12
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300012060600	0	50	0.0	-50.75	413.43	12.74	-38.01
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1)C(=O)[O-]	REAL300012060601	0	43	0.0	-49.26	368.06	10.02	-39.24
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(OC)=C1OC	REAL300012060602	0	45	0.0	-51.89	363.84	7.20	-44.69
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N2CCOCC2)C=C1)C(=O)[O-]	REAL300012060603	0	46	0.0	-46.49	353.74	6.76	-39.73
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060604	0	54	0.0	-44.84	414.03	12.82	-32.02
CC(C)CCOC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060605	0	49	0.0	-46.61	381.65	10.25	-36.36
CCCCCCOC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060606	0	52	0.0	-46.67	407.08	11.29	-35.38
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012060607	0	44	0.0	-46.85	360.50	10.93	-35.92
CCCOC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(OCCC)=C1	REAL300012060608	0	53	0.0	-43.21	416.11	10.19	-33.02
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(OC)=C1OC	REAL300012060609	0	45	0.0	-51.52	358.92	7.14	-44.38
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCC1=CC=CC=C1	REAL300012060610	0	51	0.0	-48.60	412.32	11.26	-37.34
COC1=CC=C(Br)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060611	0	37	0.0	-41.09	321.18	8.07	-33.02
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(Br)=C1O	REAL300012060612	0	38	0.0	-52.64	330.40	5.70	-46.94
COC1=CC(OC)=C(OC)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060613	0	45	0.0	-45.61	358.61	6.65	-38.96
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012060614	0	55	0.0	-47.23	440.77	15.10	-32.13
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060615	0	43	0.0	-51.83	362.79	9.92	-41.91
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012060616	0	47	0.0	-45.58	383.08	11.37	-34.21
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1)C(=O)[O-]	REAL300012060617	0	40	0.0	-52.69	349.54	9.77	-42.92
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1I)C(=O)[O-]	REAL300012060618	0	33	0.0	-37.03	292.54	9.13	-27.90
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F)C(=O)[O-]	REAL300012060619	0	41	0.0	-48.49	348.91	7.29	-41.20
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012060620	0	50	0.0	-55.39	392.42	11.18	-44.21
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N(C)CCC#N)C=C1)C(=O)[O-]	REAL300012060621	0	45	0.0	-45.92	366.12	9.94	-35.98
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300012060622	0	43	0.0	-41.91	348.65	9.97	-31.94
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OCC(N)=O	REAL300012060623	0	45	0.0	-66.60	366.75	5.09	-61.51
CCNC(=O)COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300012060624	0	51	0.0	-56.40	412.56	7.53	-48.87
COC1=CC2=C(C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C)OC(C)C2	REAL300012060625	0	45	0.0	-42.08	356.87	8.05	-34.03
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(OC)=C1OCC(N)=O	REAL300012060626	0	49	0.0	-61.07	402.42	5.04	-56.03
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(Cl)=C1OCC(N)=O	REAL300012060627	0	45	0.0	-62.20	387.03	5.74	-56.46
CCN(C(C)=O)C1=NC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CS1	REAL300012060628	0	42	0.0	-45.60	350.33	7.92	-37.68
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(I)=C1)C(=O)[O-]	REAL300012060629	0	33	0.0	-42.67	299.59	9.18	-33.49
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012060630	0	33	0.0	-45.16	299.71	9.19	-35.97
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=CC(Br)=C1)C(=O)[O-]	REAL300012060631	0	33	0.0	-47.82	312.33	9.15	-38.67
C[C@@H]1C[C@@]1(C[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300012060632	0	43	0.0	-50.94	364.80	8.81	-42.13
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060633	0	46	0.0	-46.27	357.63	11.75	-34.52
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300012060634	0	43	0.0	-47.20	360.68	11.86	-35.34
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012060635	0	46	0.0	-52.55	373.45	9.52	-43.03
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN=C(N2CCOCC2)S1)C(=O)[O-]	REAL300012060636	0	42	0.0	-44.64	342.23	5.55	-39.09
CC(=O)N(C1=NC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CS1)C1=CC=C(F)C=C1	REAL300012060637	0	46	0.0	-44.74	398.49	10.46	-34.28
CC1=CC=CN2C=C(COC3=CC=C(C[NH2+]C[C@@]4(C(=O)[O-])C[C@H]4C)C=C3)N=C12	REAL300012060638	0	53	0.0	-53.38	428.34	12.33	-41.05
CCOCC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OC	REAL300012060639	0	47	0.0	-42.52	375.40	8.30	-34.22
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1)C(=O)[O-]	REAL300012060640	0	42	0.0	-45.12	362.67	7.55	-37.57
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300012060641	0	36	0.0	-40.46	326.29	9.69	-30.77
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Br)C=C1C(F)(F)F)C(=O)[O-]	REAL300012060642	0	36	0.0	-47.14	318.06	9.61	-37.53
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300012060643	0	33	0.0	-39.47	292.81	8.46	-31.01
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC=C1Br)C(=O)[O-]	REAL300012060644	0	30	0.0	-42.14	280.15	7.60	-34.54
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(F)=CC(Br)=C1)C(=O)[O-]	REAL300012060645	0	33	0.0	-46.31	299.53	8.77	-37.54
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300012060646	0	33	0.0	-41.43	292.95	8.72	-32.71
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300012060647	0	33	0.0	-45.06	294.52	8.59	-36.47
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C(=O)[O-]	REAL300012060648	0	40	0.0	-49.49	335.70	6.39	-43.10
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(Br)=C1	REAL300012060649	0	37	0.0	-39.78	313.41	8.10	-31.68
CC1=C(Br)C=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1Br	REAL300012060650	0	36	0.0	-43.40	326.10	9.93	-33.47
CC1=CC(Br)=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)S1	REAL300012060651	0	33	0.0	-39.92	303.35	8.53	-31.39
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(C(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012060652	0	48	0.0	-44.78	381.51	10.79	-33.99
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060653	0	43	0.0	-38.61	357.27	10.62	-27.99
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C2C(=C1)CCC(=O)N2C)C(=O)[O-]	REAL300012060654	0	44	0.0	-48.70	344.39	9.13	-39.57
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060655	0	48	0.0	-52.02	391.80	11.16	-40.86
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1)C(=O)[O-]	REAL300012060656	0	39	0.0	-50.60	351.17	9.48	-41.12
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1)C(=O)[O-]	REAL300012060657	0	39	0.0	-45.06	340.48	9.10	-35.96
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060658	0	50	0.0	-41.46	395.93	11.52	-29.94
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300012060659	0	44	0.0	-41.25	370.16	10.48	-30.77
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(OC)=C1OCC(F)F	REAL300012060660	0	48	0.0	-53.73	395.30	8.60	-45.13
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=NC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300012060661	0	38	0.0	-51.81	328.66	9.08	-42.73
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300012060662	0	39	0.0	-52.05	342.60	9.18	-42.87
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300012060663	0	33	0.0	-51.56	305.54	9.00	-42.56
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300012060664	0	45	0.0	-45.42	381.40	10.61	-34.81
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC(F)(F)F)C(Br)=C1)C(=O)[O-]	REAL300012060665	0	37	0.0	-52.73	335.83	8.39	-44.34
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300012060666	0	44	0.0	-51.94	363.76	10.85	-41.09
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C)N=C1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300012060667	0	43	0.0	-52.64	357.66	9.32	-43.32
CNC(=O)C(C)OC1=CC=C(Br)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060668	0	47	0.0	-47.00	398.38	8.20	-38.80
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C)N=C1C1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012060669	0	44	0.0	-54.76	372.07	9.65	-45.11
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012060670	0	47	0.0	-51.98	375.92	10.34	-41.64
CC1=CC=CC=C1N1C=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)N=N1	REAL300012060671	0	42	0.0	-45.67	337.63	8.65	-37.02
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=NN1C)C(=O)[O-]	REAL300012060672	0	33	0.0	-56.76	291.75	6.00	-50.76
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CN(C)N=C2)S1)C(=O)[O-]	REAL300012060673	0	40	0.0	-45.86	345.78	8.77	-37.09
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C2OCCCCOC2=C1)C(=O)[O-]	REAL300012060674	0	45	0.0	-44.85	347.60	9.12	-35.73
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C(=O)[O-]	REAL300012060675	0	33	0.0	-44.93	303.38	8.86	-36.07
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060676	0	44	0.0	-50.82	354.13	8.32	-42.50
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300012060677	0	37	0.0	-40.84	319.46	7.83	-33.01
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300012060678	0	40	0.0	-49.44	330.35	8.86	-40.58
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC=C2Br)C=C1)C(=O)[O-]	REAL300012060679	0	43	0.0	-46.72	366.37	11.98	-34.74
CC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(C2=CN(C)N=C2)=C1	REAL300012060680	0	46	0.0	-39.68	366.63	9.79	-29.89
CC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(C2=CC=NN2C)=C1	REAL300012060681	0	46	0.0	-54.16	361.58	9.39	-44.77
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)C(=O)[O-]	REAL300012060682	0	43	0.0	-50.70	369.36	10.30	-40.40
CC1=CC(Br)=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1Cl	REAL300012060683	0	36	0.0	-41.58	323.57	9.73	-31.85
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012060684	0	43	0.0	-49.59	368.75	9.91	-39.68
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(CCC#N)N=C1C1=CC=NC=C1)C(=O)[O-]	REAL300012060685	0	46	0.0	-54.38	388.40	8.86	-45.52
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1)C(=O)[O-]	REAL300012060686	0	39	0.0	-42.26	329.62	11.85	-30.41
COCCOCC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060687	0	47	0.0	-47.86	380.28	7.89	-39.97
CC1=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)SC2=C(Cl)C=CC=C12	REAL300012060688	0	39	0.0	-46.17	339.91	10.49	-35.68
C[C@@H]1C[C@@]1(C[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012060689	0	47	0.0	-51.36	395.24	10.50	-40.86
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(F)C=C1I)C(=O)[O-]	REAL300012060690	0	33	0.0	-39.83	298.98	9.19	-30.64
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)O1	REAL300012060691	0	43	0.0	-50.65	353.54	8.38	-42.27
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300012060692	0	32	0.0	-45.43	297.63	7.16	-38.27
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(OC(F)F)=CC=C1Br)C(=O)[O-]	REAL300012060693	0	37	0.0	-41.72	326.49	8.23	-33.49
CC1=CC=C(C2=NC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)S2)C=C1C	REAL300012060694	0	45	0.0	-50.34	372.82	10.16	-40.18
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060695	0	43	0.0	-49.62	351.21	9.73	-39.89
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060696	0	43	0.0	-53.87	368.82	10.62	-43.25
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060697	0	43	0.0	-54.08	364.95	10.48	-43.60
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060698	0	46	0.0	-49.25	371.67	10.57	-38.68
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060699	0	43	0.0	-52.12	369.24	10.34	-41.78
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1)C(=O)[O-]	REAL300012060700	0	47	0.0	-50.72	390.81	11.45	-39.27
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(Br)=C1SC(C)(C)C)C(=O)[O-]	REAL300012060701	0	46	0.0	-52.26	372.37	11.06	-41.20
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060702	0	46	0.0	-50.10	369.66	10.40	-39.70
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC2=CC(Br)=CC=C2O1)C(=O)[O-]	REAL300012060703	0	36	0.0	-49.77	318.59	9.07	-40.70
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(F)=C1OC(F)F)C(=O)[O-]	REAL300012060704	0	37	0.0	-47.54	316.00	7.82	-39.72
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300012060705	0	37	0.0	-45.24	316.09	7.78	-37.46
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C)N=C1C1=CN(C)N=C1)C(=O)[O-]	REAL300012060706	0	43	0.0	-51.27	355.12	7.09	-44.18
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C2CCN(C(=O)OC(C)(C)C)CC2=C1)C(=O)[O-]	REAL300012060707	0	57	0.0	-46.53	434.43	11.41	-35.12
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300012060708	0	39	0.0	-52.14	351.18	9.47	-42.67
C[C@@H]1C[C@@]1(C[NH2+]CC1=CNN=C1C1=CC=C(Br)S1)C(=O)[O-]	REAL300012060709	0	37	0.0	-49.86	334.84	7.88	-41.98
CC(C)OC1=CC(Cl)=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1Cl	REAL300012060710	0	43	0.0	-43.72	369.81	9.93	-33.79
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC2CCOC2)C=C1)C(=O)[O-]	REAL300012060711	0	45	0.0	-43.70	352.36	7.71	-35.99
COC(=O)C1=C2CCCCN2C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060712	0	47	0.0	-58.06	371.11	9.66	-48.40
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC(C(F)(F)F)=C1	REAL300012060713	0	40	0.0	-49.20	337.73	8.24	-40.96
C=CCOC1=C(Cl)C=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300012060714	0	45	0.0	-53.33	383.20	9.29	-44.04
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC1CC1	REAL300012060715	0	45	0.0	-53.36	357.52	8.76	-44.60
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=CC=C1I)C(=O)[O-]	REAL300012060716	0	33	0.0	-37.74	309.29	9.64	-28.10
COCC(C)OC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060717	0	47	0.0	-47.90	368.88	8.15	-39.75
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C)N=C1CN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300012060718	0	50	0.0	-47.05	412.72	8.73	-38.32
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012060719	0	47	0.0	-41.54	388.57	11.82	-29.72
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C(=O)[O-]	REAL300012060720	0	40	0.0	-46.71	337.10	10.54	-36.17
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300012060721	0	46	0.0	-48.61	366.16	10.19	-38.42
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(C(F)(F)F)=C(Br)C=C1F)C(=O)[O-]	REAL300012060722	0	36	0.0	-44.98	331.87	9.62	-35.36
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F)C(=O)[O-]	REAL300012060723	0	40	0.0	-52.96	348.96	8.96	-44.00
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300012060724	0	42	0.0	-45.85	359.72	10.42	-35.43
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C(C)(C)C	REAL300012060725	0	49	0.0	-48.66	370.09	9.92	-38.74
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060726	0	41	0.0	-41.40	342.23	7.14	-34.26
CC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=NC=C1Br	REAL300012060727	0	35	0.0	-45.45	304.23	7.29	-38.16
CC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C(Br)C=C1F	REAL300012060728	0	36	0.0	-40.76	313.99	9.37	-31.39
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(O)C=CC=C1Br)C(=O)[O-]	REAL300012060729	0	34	0.0	-43.30	297.25	5.64	-37.66
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(C2=CN(C)N=C2)=N1)C(=O)[O-]	REAL300012060730	0	39	0.0	-44.85	341.28	6.67	-38.18
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C(=O)[O-]	REAL300012060731	0	39	0.0	-57.26	329.06	7.82	-49.44
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1CC(F)(F)F)C(=O)[O-]	REAL300012060732	0	39	0.0	-39.95	320.98	9.66	-30.29
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C)N=C1Br)C(=O)[O-]	REAL300012060733	0	33	0.0	-44.44	295.33	6.38	-38.06
C[C@@H]1C[C@@]1(C[NH2+]CC1=NC=C(Br)C=C1F)C(=O)[O-]	REAL300012060734	0	32	0.0	-40.84	293.42	6.88	-33.96
COC1=CC(Cl)=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300012060735	0	41	0.0	-42.97	342.37	7.77	-35.20
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300012060736	0	39	0.0	-46.11	330.75	9.72	-36.39
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012060737	0	53	0.0	-47.45	419.71	8.53	-38.92
CCOC(=O)C1=C(C)C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C(C)N1	REAL300012060738	0	46	0.0	-55.70	369.75	8.33	-47.37
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(F)C=CC(C(F)(F)F)=C1Br)C(=O)[O-]	REAL300012060739	0	36	0.0	-37.81	326.11	9.63	-28.18
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1)C(=O)[O-]	REAL300012060740	0	43	0.0	-53.51	362.46	11.90	-41.61
CC1=CC(Br)=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1Br	REAL300012060741	0	36	0.0	-41.39	327.60	9.82	-31.57
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Br)C(F)=C1F)C(=O)[O-]	REAL300012060742	0	33	0.0	-52.17	304.28	8.79	-43.38
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Br)SC=C1)C(=O)[O-]	REAL300012060743	0	30	0.0	-38.74	279.74	7.75	-30.99
CCOC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C(F)C=C1OC	REAL300012060744	0	44	0.0	-44.03	356.90	8.26	-35.77
COC1=NC=C(Br)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060745	0	36	0.0	-49.94	316.53	5.31	-44.63
C[C@@H]1C[C@@]1(C[NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300012060746	0	47	0.0	-47.36	388.87	7.56	-39.80
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C(F)C=C1Br	REAL300012060747	0	37	0.0	-44.13	326.23	8.11	-36.02
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(Br)=C1Cl)C(=O)[O-]	REAL300012060748	0	33	0.0	-41.16	303.06	9.13	-32.03
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F)C(=O)[O-]	REAL300012060749	0	37	0.0	-48.98	322.89	8.02	-40.96
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1)C(=O)[O-]	REAL300012060750	0	47	0.0	-52.45	363.23	9.15	-43.30
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC(F)F)C=C1F)C(=O)[O-]	REAL300012060751	0	37	0.0	-44.65	315.62	7.70	-36.95
CC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(C)=C1Br	REAL300012060752	0	39	0.0	-44.43	322.89	9.79	-34.64
CC1=CC=NC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1Br	REAL300012060753	0	35	0.0	-38.71	303.58	7.34	-31.37
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)C=C1)C(=O)[O-]	REAL300012060754	0	50	0.0	-51.83	390.93	8.19	-43.64
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C)N=C1C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300012060755	0	43	0.0	-51.84	363.99	9.41	-42.43
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012060758	0	43	0.0	-42.96	376.35	9.64	-33.32
CCN1C=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(C2=CC=CC=C2)=N1	REAL300012060759	0	46	0.0	-45.94	368.67	10.00	-35.94
COCC1=C(C)C=C(C)C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1C	REAL300012060760	0	49	0.0	-40.57	370.87	9.42	-31.15
CC1=CC(OC2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C(Cl)=C2)=CC=C1F	REAL300012060761	0	47	0.0	-43.06	399.09	12.12	-30.94
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(Cl)=C1	REAL300012060762	0	50	0.0	-41.93	414.12	12.87	-29.06
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300012060763	0	44	0.0	-49.54	377.24	11.26	-38.28
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060764	0	47	0.0	-48.95	398.01	12.00	-36.95
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1F	REAL300012060765	0	47	0.0	-45.18	401.83	12.34	-32.84
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300012060766	0	44	0.0	-45.71	399.14	12.07	-33.64
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012060767	0	44	0.0	-46.78	389.83	11.66	-35.12
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060768	0	47	0.0	-47.61	391.76	11.93	-35.68
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300012060769	0	44	0.0	-42.48	383.98	11.61	-30.87
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060770	0	50	0.0	-47.39	410.61	12.59	-34.80
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Cl)C=C1OC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012060771	0	44	0.0	-47.87	397.43	11.98	-35.89
CC1=C(Br)C=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)S1	REAL300012060772	0	33	0.0	-42.60	303.34	8.54	-34.06
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300012060773	0	43	0.0	-50.83	360.36	11.86	-38.97
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(F)=C1I)C(=O)[O-]	REAL300012060774	0	33	0.0	-40.28	298.08	9.16	-31.12
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1COC1=CC=CC=C1	REAL300012060775	0	51	0.0	-48.36	407.36	10.66	-37.70
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1CN1C=CC=N1	REAL300012060776	0	47	0.0	-52.58	381.62	8.92	-43.66
CC1=CC=C(Br)C(F)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060777	0	36	0.0	-39.45	311.46	9.38	-30.07
CCC1=CC(OC2=CC=C(F)C=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1Cl	REAL300012060778	0	50	0.0	-41.85	416.40	12.82	-29.03
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300012060779	0	44	0.0	-49.04	386.58	11.68	-37.36
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(C)=C1	REAL300012060780	0	50	0.0	-51.11	412.69	12.59	-38.52
COC1=CC=C(CN2C=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)N=N2)C=C1	REAL300012060781	0	46	0.0	-49.62	379.47	7.73	-41.89
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012060782	0	43	0.0	-54.28	356.55	8.24	-46.04
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012060783	0	47	0.0	-51.97	380.69	11.20	-40.77
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=C(Br)S1)C(=O)[O-]	REAL300012060784	0	30	0.0	-50.23	301.49	8.34	-41.89
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300012060785	0	44	0.0	-46.39	389.84	11.66	-34.73
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300012060786	0	44	0.0	-44.30	380.08	11.23	-33.07
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012060787	0	44	0.0	-42.13	391.61	11.92	-30.21
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060788	0	51	0.0	-52.28	405.28	11.24	-41.04
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012060789	0	44	0.0	-42.76	381.26	11.47	-31.29
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012060790	0	44	0.0	-42.76	394.27	12.07	-30.69
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300012060791	0	44	0.0	-50.13	386.59	11.52	-38.61
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060792	0	48	0.0	-43.78	404.73	11.97	-31.81
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Cl)C=C1OC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300012060793	0	44	0.0	-47.56	397.43	11.98	-35.58
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060794	0	49	0.0	-49.24	384.56	10.90	-38.34
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300012060795	0	39	0.0	-49.12	351.07	9.26	-39.86
COC1=CC=C(C2=NC(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)=CS2)C=C1	REAL300012060796	0	43	0.0	-49.57	363.79	8.05	-41.52
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)C(=O)[O-]	REAL300012060798	0	41	0.0	-59.41	342.81	4.67	-54.74
C[C@@H]1C[C@@]1(C[NH2+]CC(C)(C)CN(C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012060799	1	53	0.0	-41.94	393.57	10.18	-31.76
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1)C(=O)[O-]	REAL300012060800	0	47	0.0	-55.46	398.69	11.33	-44.13
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)S1	REAL300012060801	0	44	0.0	-46.97	366.06	8.39	-38.58
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300012060802	0	38	0.0	-36.01	322.28	9.15	-26.86
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(OCC2=CC=CN=C2)=C1	REAL300012060803	0	50	0.0	-48.60	406.00	8.94	-39.66
C[C@@H]1C[C@@]1(C[NH2+]CC1=NC2=CC=C(Br)C=C2S1)C(=O)[O-]	REAL300012060804	0	35	0.0	-46.10	324.76	8.15	-37.95
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N(C)C)C=C1C(F)(F)F)C(=O)[O-]	REAL300012060805	0	44	0.0	-44.88	348.10	9.41	-35.47
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060806	0	43	0.0	-51.87	350.03	10.55	-41.32
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060807	0	42	0.0	-47.70	360.63	9.57	-38.13
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1)C(=O)[O-]	REAL300012060808	0	52	0.0	-47.00	405.58	11.27	-35.73
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300012060809	0	36	0.0	-47.10	331.68	9.43	-37.67
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1)C(=O)[O-]	REAL300012060810	0	39	0.0	-49.32	343.21	8.87	-40.45
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN2C=CC(Br)=CC2=N1)C(=O)[O-]	REAL300012060811	0	36	0.0	-52.66	318.03	9.05	-43.61
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060812	0	44	0.0	-50.85	354.45	9.31	-41.54
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(I)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012060813	0	35	0.0	-53.98	325.74	9.69	-44.29
COCC1=CC=CC=C1C=C(C)C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060814	0	47	0.0	-49.08	366.86	9.53	-39.55
C[C@@H]1C[C@@]1(C[NH2+]CC1=CON=C1CC1=CC=CC=C1)C(=O)[O-]	REAL300012060815	0	42	0.0	-55.50	345.52	9.67	-45.83
COC1=CC=C(N2C=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C=N2)C=C1	REAL300012060816	0	44	0.0	-53.25	357.74	8.45	-44.80
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N(C)CC2=CC=CS2)C=C1)C(=O)[O-]	REAL300012060817	0	48	0.0	-44.42	390.01	11.29	-33.13
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N2CCCCC2)C(Br)=C1)C(=O)[O-]	REAL300012060818	0	48	0.0	-52.09	386.95	10.39	-41.70
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(S(C)(=O)=O)S1)C(=O)[O-]	REAL300012060819	0	36	0.0	-53.03	324.88	4.77	-48.26
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1)C(=O)[O-]	REAL300012060820	0	53	0.0	-47.30	412.49	11.90	-35.40
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1F)C(=O)[O-]	REAL300012060821	0	38	0.0	-51.75	330.57	3.09	-48.66
CC1=C(Br)C=NC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060822	0	35	0.0	-51.11	297.91	7.28	-43.83
COC1=CC=C(C2=CC(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)=CC3=C2OCO3)C=N1	REAL300012060823	0	49	0.0	-56.47	403.32	6.96	-49.51
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21)C(=O)[O-]	REAL300012060824	0	47	0.0	-47.49	388.68	11.30	-36.19
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C(=O)[O-]	REAL300012060825	0	53	0.0	-43.57	407.15	6.98	-36.59
C[C@@H]1C[C@@]1(C[NH2+]CC(CC(F)F)NC(=O)OC(C)(C)C)C(=O)[O-]	REAL300012060826	0	49	0.0	-56.83	376.02	6.73	-50.10
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(C2=NN(C)C=C2)=N1)C(=O)[O-]	REAL300012060827	0	39	0.0	-55.25	339.35	6.39	-48.86
CC1=CC=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1Br	REAL300012060828	0	36	0.0	-42.14	306.31	9.21	-32.93
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300012060829	0	44	0.0	-52.73	363.18	10.80	-41.93
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1N1CCCCC1)C(=O)[O-]	REAL300012060830	0	48	0.0	-38.22	359.63	9.85	-28.37
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=CC=C1Br)C(=O)[O-]	REAL300012060831	0	33	0.0	-38.91	308.55	9.29	-29.62
CC1=C(Cl)C=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1Cl	REAL300012060832	0	36	0.0	-44.74	317.31	9.55	-35.19
CC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C(C)C=C1I	REAL300012060833	0	39	0.0	-42.51	329.28	10.41	-32.10
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(C#N)=CC=C1Br)C(=O)[O-]	REAL300012060834	0	34	0.0	-43.66	308.06	9.05	-34.61
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060835	0	46	0.0	-44.51	374.05	9.64	-34.87
COC(=O)COC1=CC=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060836	0	43	0.0	-54.34	354.01	8.89	-45.45
COC1=CC=C2SC(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)=CC2=C1	REAL300012060837	0	40	0.0	-49.33	336.36	8.76	-40.57
CCN(CC)C(=O)C1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060838	0	49	0.0	-54.31	377.35	9.57	-44.74
CCN(C)C(=O)C1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060839	0	46	0.0	-46.41	362.52	9.01	-37.40
CC1=NN(C2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C(C)=C2)C=C1	REAL300012060840	0	46	0.0	-56.98	365.14	10.26	-46.72
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300012060841	0	39	0.0	-49.30	340.93	9.80	-39.50
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060842	0	43	0.0	-49.41	362.11	10.39	-39.02
CCC1=CC(Br)=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)S1	REAL300012060843	0	36	0.0	-45.63	322.45	9.15	-36.48
CC1=NN(C2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C=C2)C=C1Cl	REAL300012060844	0	43	0.0	-50.51	368.84	10.38	-40.13
COC(=O)C1=CC2=C(C=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)O2)N1	REAL300012060845	0	40	0.0	-53.29	338.01	6.73	-46.56
C[C@@H]1C[C@@]1(C[NH2+]CC(C)(C)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012060846	0	42	0.0	-48.19	338.77	10.26	-37.93
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300012060847	0	33	0.0	-45.52	309.86	9.20	-36.32
CC1=CC=C(C2=CC=CC=C2C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(C)=C1	REAL300012060848	0	49	0.0	-47.49	380.69	12.45	-35.04
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N2CCN(C(=O)OC(C)(C)C)CC2)O1)C(=O)[O-]	REAL300012060849	0	59	0.0	-45.35	450.30	8.20	-37.15
COC1=CC=CC(C2=CSC(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)=N2)=C1	REAL300012060850	0	43	0.0	-46.83	362.13	8.02	-38.81
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C(=O)[O-]	REAL300012060851	0	53	0.0	-47.76	419.83	8.54	-39.22
COC(=O)C1=C2COCCN2C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060852	0	45	0.0	-50.54	361.95	7.59	-42.95
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300012060853	0	50	0.0	-58.28	382.90	9.83	-48.45
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C(=O)[O-]	REAL300012060854	0	36	0.0	-51.38	334.87	9.89	-41.49
C[C@@H]1C[C@@]1(C[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1)C(=O)[O-]	REAL300012060855	0	37	0.0	-47.92	327.90	7.00	-40.92
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1Br)C(=O)[O-]	REAL300012060856	0	38	0.0	-49.65	341.52	3.63	-46.02
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Cl)C=CC=C1Br)C(=O)[O-]	REAL300012060857	0	33	0.0	-38.67	301.59	8.86	-29.81
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(F)C(Br)=C1F)C(=O)[O-]	REAL300012060858	0	33	0.0	-51.75	303.70	8.77	-42.98
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1)C(=O)[O-]	REAL300012060859	0	42	0.0	-56.62	347.90	8.28	-48.34
C[C@@H]1C[C@@]1(C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300012060860	0	53	0.0	-52.41	393.14	8.95	-43.46
CC1=CC(Br)=CN=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060861	0	35	0.0	-44.07	301.97	7.28	-36.79
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C(=O)[O-]	REAL300012060862	0	39	0.0	-52.30	345.70	6.01	-46.29
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C2CCN(C(=O)OCC3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300012060863	0	55	0.0	-57.52	443.09	12.71	-44.81
CC1=NC(Cl)=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1Br	REAL300012060864	0	35	0.0	-42.77	318.51	7.85	-34.92
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(S(C)(=O)=O)N(C)N=C1)C(=O)[O-]	REAL300012060865	0	39	0.0	-51.53	320.67	3.33	-48.20
CCOC1=CC(Br)=CC(F)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060866	0	40	0.0	-39.71	346.37	8.86	-30.85
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(S(C)(=O)=O)SC=C1)C(=O)[O-]	REAL300012060867	0	36	0.0	-44.54	308.31	4.88	-39.66
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C=C2)O1	REAL300012060868	0	50	0.0	-52.29	418.63	10.11	-42.18
CC1=C(Br)C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C(C)S1	REAL300012060869	0	36	0.0	-38.79	318.62	9.23	-29.56
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C)N=C1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300012060870	0	43	0.0	-51.78	354.33	9.45	-42.33
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300012060871	0	37	0.0	-43.58	322.36	7.92	-35.66
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300012060872	0	39	0.0	-47.09	343.01	9.96	-37.13
CC1=NC=CN1C1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(C)=C1	REAL300012060873	0	46	0.0	-47.99	363.11	11.32	-36.67
CC1=C(C)N(C2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C=C2)C=N1	REAL300012060874	0	46	0.0	-53.24	368.38	11.56	-41.68
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300012060875	0	36	0.0	-43.58	329.62	10.20	-33.38
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C)N=C1C1=CC=CC=C1Br)C(=O)[O-]	REAL300012060876	0	43	0.0	-50.62	366.50	10.06	-40.56
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C(=O)[O-]	REAL300012060877	0	43	0.0	-50.27	342.39	9.96	-40.31
C[C@@H]1C[C@@]1(C[NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012060878	0	40	0.0	-48.12	349.61	8.56	-39.56
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060879	0	46	0.0	-59.38	384.56	10.66	-48.72
C[C@@H]1C[C@@]1(C[NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012060880	0	40	0.0	-47.88	349.33	8.58	-39.30
C[C@@H]1C[C@@]1(C[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300012060881	0	40	0.0	-48.85	334.73	8.01	-40.84
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Br)C=CC=C1Br)C(=O)[O-]	REAL300012060882	0	33	0.0	-34.33	304.69	9.21	-25.12
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Br)C=CC=C1OC(F)F)C(=O)[O-]	REAL300012060883	0	37	0.0	-43.29	325.49	8.07	-35.22
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012060884	0	40	0.0	-51.95	343.28	9.41	-42.54
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300012060885	0	33	0.0	-39.64	303.69	8.75	-30.89
COC1=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=CC=C1C(C)(C)C	REAL300012060886	0	49	0.0	-47.60	360.97	9.79	-37.81
C[C@@H]1C[C@@]1(C[NH2+]CC1=NC(Br)=CN1C)C(=O)[O-]	REAL300012060887	0	33	0.0	-46.82	291.11	6.78	-40.04
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(C(C)(C)OCC2=CC=CC=C2)=CC=C1F)C(=O)[O-]	REAL300012060888	0	56	0.0	-44.34	439.94	12.75	-31.59
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C(=O)[O-]	REAL300012060889	0	39	0.0	-44.26	325.29	7.34	-36.92
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC2=CC=CC=C2N(C)C1=O)C(=O)[O-]	REAL300012060890	0	42	0.0	-42.50	338.28	8.87	-33.63
CC1=CC(C)=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(C)=C1Br	REAL300012060891	0	42	0.0	-43.28	341.29	10.23	-33.05
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060892	0	43	0.0	-50.68	365.94	8.70	-41.98
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012060893	0	50	0.0	-55.15	389.88	8.13	-47.02
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C(=O)[O-]	REAL300012060894	0	39	0.0	-48.80	334.76	8.87	-39.93
COC1=CC=C(Br)C(F)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060895	0	37	0.0	-38.99	322.60	8.23	-30.76
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(F)C=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300012060896	0	36	0.0	-41.96	331.54	9.45	-32.51
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(F)C=C(C#N)C=C1Br)C(=O)[O-]	REAL300012060897	0	34	0.0	-45.55	313.67	8.84	-36.71
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C(=O)[O-]	REAL300012060898	0	40	0.0	-46.29	335.31	10.35	-35.94
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300012060899	0	39	0.0	-51.79	327.10	10.57	-41.22
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Cl)C(Br)=C1F)C(=O)[O-]	REAL300012060900	0	33	0.0	-50.61	312.82	9.18	-41.43
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OC1CCCCC1)C(=O)[O-]	REAL300012060901	0	50	0.0	-40.25	381.35	10.91	-29.34
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300012060902	0	44	0.0	-51.24	374.08	11.30	-39.94
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1COC1CCCCC1)C(=O)[O-]	REAL300012060903	0	53	0.0	-48.34	399.64	11.45	-36.89
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012060904	0	47	0.0	-39.92	395.18	12.10	-27.82
COC1=CC=CC(OC2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C=C2)=C1	REAL300012060905	0	48	0.0	-53.08	386.85	10.07	-43.01
CCN1CCCC2=CC(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)=CC=C21	REAL300012060906	0	48	0.0	-41.14	357.45	9.36	-31.78
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300012060907	0	33	0.0	-43.84	294.55	6.30	-37.54
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060908	0	48	0.0	-50.19	388.98	10.69	-39.50
COC1=C(Br)C=CC(F)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060909	0	37	0.0	-39.09	323.82	8.31	-30.78
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012060910	0	46	0.0	-49.33	378.65	12.65	-36.68
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Br)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300012060911	0	37	0.0	-39.40	332.23	8.29	-31.11
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C(=O)[O-]	REAL300012060912	0	37	0.0	-50.64	325.82	9.39	-41.25
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300012060913	0	47	0.0	-45.34	399.82	11.89	-33.45
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C(=O)[O-]	REAL300012060914	0	46	0.0	-47.20	365.01	8.76	-38.44
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Br)C=C1OC(F)F)C(=O)[O-]	REAL300012060915	0	37	0.0	-53.14	328.62	8.20	-44.94
CC1=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)SC2=CC(F)=CC=C12	REAL300012060916	0	39	0.0	-43.01	332.30	10.22	-32.79
COC1=CC(OC)=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C2=NC(Cl)=CC=C12	REAL300012060917	0	46	0.0	-38.10	381.66	7.93	-30.17
CC1=CC=C(F)C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1Br	REAL300012060918	0	36	0.0	-35.30	310.12	9.31	-25.99
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OCCC1CCCCC1)C(=O)[O-]	REAL300012060919	0	56	0.0	-46.66	421.61	12.24	-34.42
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OCC2CCC2)=C1)C(=O)[O-]	REAL300012060920	0	47	0.0	-50.21	369.01	10.28	-39.93
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCCO	REAL300012060921	0	45	0.0	-50.78	363.79	5.12	-45.66
COC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OCCO	REAL300012060922	0	45	0.0	-55.83	361.39	4.97	-50.86
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C)N=C1C1=CC=NN1C)C(=O)[O-]	REAL300012060923	0	43	0.0	-53.57	353.60	7.17	-46.40
COC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCC1CCCO1	REAL300012060924	0	52	0.0	-55.27	407.10	8.56	-46.71
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300012060925	0	36	0.0	-37.35	302.69	9.33	-28.02
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F)C(=O)[O-]	REAL300012060926	0	40	0.0	-41.86	345.02	8.72	-33.14
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1)C(=O)[O-]	REAL300012060927	0	42	0.0	-49.63	367.07	9.66	-39.97
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Br)C=CC2=C1OCO2)C(=O)[O-]	REAL300012060928	0	36	0.0	-37.87	312.64	7.38	-30.49
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(S(C)(=O)=O)C=CS1)C(=O)[O-]	REAL300012060929	0	36	0.0	-56.34	313.48	4.73	-51.61
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300012060930	0	36	0.0	-43.99	315.12	9.13	-34.86
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300012060931	0	36	0.0	-48.43	324.04	4.69	-43.74
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1)C(=O)[O-]	REAL300012060932	0	40	0.0	-54.34	345.30	9.65	-44.69
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(Br)C=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012060933	0	33	0.0	-43.29	322.10	8.92	-34.37
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Br)C=C1OC1CC1)C(=O)[O-]	REAL300012060934	0	41	0.0	-50.62	348.53	9.54	-41.08
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC([N+](=O)[O-])=CC=C1N(C)C)C(=O)[O-]	REAL300012060935	0	43	0.0	-44.02	351.10	8.79	-35.23
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F)C(=O)[O-]	REAL300012060936	0	36	0.0	-36.68	310.21	9.71	-26.97
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(F)C=CC(Br)=C1Cl)C(=O)[O-]	REAL300012060937	0	33	0.0	-37.77	307.28	9.22	-28.55
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C(=O)[O-]	REAL300012060938	0	40	0.0	-55.52	334.98	9.21	-46.31
COC1=NC(C)=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C(C)=C1Cl	REAL300012060939	0	42	0.0	-52.73	343.70	6.17	-46.56
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060940	0	42	0.0	-50.52	346.69	8.41	-42.11
CC1=NN(C2CCCCC2)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060941	0	49	0.0	-45.98	376.13	9.73	-36.25
CC1=NN(C2CCOCC2)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060942	0	47	0.0	-46.06	366.78	7.32	-38.74
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012060943	0	38	0.0	-42.35	332.86	9.21	-33.14
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(S(N)(=O)=O)=CS1)C(=O)[O-]	REAL300012060944	0	35	0.0	-50.58	314.34	2.23	-48.35
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300012060945	0	48	0.0	-58.65	373.89	7.41	-51.24
CC1=CC(Br)=C(F)C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300012060946	0	36	0.0	-42.09	318.39	9.40	-32.69
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Br)C(Cl)=C1F)C(=O)[O-]	REAL300012060947	0	33	0.0	-50.56	312.97	9.19	-41.37
COC1=CC=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1Br	REAL300012060948	0	37	0.0	-51.88	314.36	7.83	-44.05
COC1=CC(F)=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1Br	REAL300012060949	0	37	0.0	-45.14	327.29	8.08	-37.06
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)C(=O)[O-]	REAL300012060950	0	43	0.0	-58.82	358.38	10.49	-48.33
CC1=CC=C(Br)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060951	0	36	0.0	-41.69	307.92	9.33	-32.36
COC1=NC2=CC=C(C[NH2+]C[C@@]3(C(=O)[O-])C[C@H]3C)C=C2S1	REAL300012060952	0	39	0.0	-55.64	333.83	5.75	-49.89
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C(=O)[O-]	REAL300012060953	0	33	0.0	-41.13	301.92	9.23	-31.90
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(OCC(C)(C)C)=C1)C(=O)[O-]	REAL300012060954	0	49	0.0	-41.99	383.61	10.42	-31.57
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=CC(Cl)=C1F)C(=O)[O-]	REAL300012060955	0	33	0.0	-41.88	310.47	9.38	-32.50
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C(=O)[O-]	REAL300012060956	0	36	0.0	-53.24	323.41	9.43	-43.81
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C2CN(C(=O)OC(C)(C)C)CCC2=C1)C(=O)[O-]	REAL300012060957	0	57	0.0	-46.60	434.44	11.43	-35.17
CC1=CC(Br)=CC(C)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060958	0	39	0.0	-45.34	324.17	9.60	-35.74
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(O)C=CC(F)=C1Br)C(=O)[O-]	REAL300012060959	0	34	0.0	-40.30	302.00	5.96	-34.34
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300012060960	0	49	0.0	-43.65	371.59	11.73	-31.92
CC1=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)SC(Br)=C1	REAL300012060961	0	33	0.0	-46.12	299.71	8.31	-37.81
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060962	0	45	0.0	-43.63	363.19	10.05	-33.58
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012060963	0	46	0.0	-45.09	372.53	12.39	-32.70
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=CC(Cl)=C1Br)C(=O)[O-]	REAL300012060964	0	33	0.0	-39.95	315.46	9.76	-30.19
CCCCC(=O)NC1=CC=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300012060965	0	49	0.0	-48.23	387.82	9.33	-38.90
C[C@@H]1C[C@@]1(C[NH2+]CC1=CSC(Br)=C1Br)C(=O)[O-]	REAL300012060966	0	30	0.0	-45.39	300.48	8.28	-37.11
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(Br)=C1Br)C(=O)[O-]	REAL300012060967	0	33	0.0	-40.69	306.21	9.22	-31.47
CC1=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)SC(Br)=C1Br	REAL300012060968	0	33	0.0	-48.93	317.72	8.85	-40.08
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=CN=C1Br)C(=O)[O-]	REAL300012060969	0	32	0.0	-42.46	299.09	7.27	-35.19
C[C@@H]1C[C@@]1(C[NH2+]CC1=CN(C(C)(C)C)N=C1C(C)(C)C)C(=O)[O-]	REAL300012060970	0	54	0.0	-44.27	400.84	10.25	-34.02
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300012060971	0	37	0.0	-52.95	331.44	8.28	-44.67
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C(=O)[O-]	REAL300012060972	0	43	0.0	-46.20	359.96	10.91	-35.29
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	REAL300012060973	0	55	0.0	-45.52	430.70	12.99	-32.53
CC1=CC=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1C(F)(F)F	REAL300012060974	0	39	0.0	-36.96	316.64	9.70	-27.26
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300012060975	0	36	0.0	-42.25	326.02	9.67	-32.58
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC2=NC=C(Br)C=C2O1)C(=O)[O-]	REAL300012060976	0	35	0.0	-52.85	313.36	7.24	-45.61
C[C@@H]1C[C@@]1(C[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1)C(=O)[O-]	REAL300012060977	0	38	0.0	-57.30	335.18	8.28	-49.02
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC2=C(CCOC2)N=C1Cl)C(=O)[O-]	REAL300012060978	0	40	0.0	-44.42	332.73	6.74	-37.68
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC2=CC(Br)=CC=C2S1)C(=O)[O-]	REAL300012060979	0	36	0.0	-48.40	328.06	10.09	-38.31
C[C@@H]1C[C@@]1(C[NH2+]CC1=NC=C(CC2=CC=CC=C2)N1C)C(=O)[O-]	REAL300012060980	0	46	0.0	-49.64	370.36	10.60	-39.04
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(Br)C=C1Br)C(=O)[O-]	REAL300012060981	0	33	0.0	-40.35	308.58	9.29	-31.06
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=CC(F)=C1F)C(=O)[O-]	REAL300012060982	0	33	0.0	-42.67	300.58	8.95	-33.72
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300012060983	0	33	0.0	-46.12	313.51	9.19	-36.93
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012060984	0	35	0.0	-54.21	319.25	9.21	-45.00
COC1=C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)C=CC(Br)=C1F	REAL300012060985	0	37	0.0	-51.88	328.20	8.14	-43.74
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C(=O)[O-]	REAL300012060986	0	36	0.0	-50.91	315.31	9.11	-41.80
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060987	0	51	0.0	-45.75	396.95	9.74	-36.01
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C(=O)[O-]	REAL300012060988	0	39	0.0	-45.67	333.08	11.01	-34.66
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C(=O)[O-]	REAL300012060989	0	46	0.0	-46.71	358.75	5.06	-41.65
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=C(CN2C=C(Br)C=N2)C=C1)C(=O)[O-]	REAL300012060990	0	43	0.0	-46.90	375.21	10.19	-36.71
C[C@@H]1C[C@@]1(C[NH2+]CC1=C(F)C=C(I)C=C1F)C(=O)[O-]	REAL300012060991	0	33	0.0	-39.59	310.18	9.23	-30.36
COC1=CC=C(OC)C(OC)=C1C[NH2+]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300012060992	0	45	0.0	-39.94	355.67	6.83	-33.11
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1)C(=O)[O-]	REAL300012060993	0	50	0.0	-39.33	381.63	9.94	-29.39
C[C@@H]1C[C@@]1(C[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F)C(=O)[O-]	REAL300012060994	0	47	0.0	-41.44	382.16	11.75	-29.69
CC1=CC(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=CN=C1N1C=CC=N1	REAL300012060995	0	42	0.0	-49.98	341.51	9.57	-40.41
COC1=CC=C(Br)C(C[NH2+]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1O	REAL300012060996	0	38	0.0	-36.64	325.53	5.90	-30.74
CC1=CC=C(N2C=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C(C(C)(C)C)=N2)C=C1	REAL300012060997	0	56	0.0	-82.92	437.24	10.28	-72.64
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=CN=C3C=C2)C(O)=C1	REAL300012060998	0	39	0.0	-88.10	331.97	6.39	-81.71
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OCC1=CC=CC=C1	REAL300012060999	0	52	0.0	-87.18	431.35	9.20	-77.98
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061000	0	44	0.0	-84.36	390.98	8.16	-76.20
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CC(C)(C)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061002	0	46	0.0	-78.14	367.04	8.35	-69.79
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=CC=C2)C(O)=C1	REAL300012061003	0	41	0.0	-82.56	347.31	5.88	-76.68
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CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061005	0	44	0.0	-86.06	369.28	7.83	-78.23
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COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OC(F)F	REAL300012061007	0	42	0.0	-87.58	359.35	5.51	-82.07
CCCOC1=CC=C(Br)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061008	0	44	0.0	-75.37	383.63	7.74	-67.63
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OC	REAL300012061009	0	45	0.0	-85.70	371.44	6.15	-79.55
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)C(O)=C1	REAL300012061010	0	48	0.0	-72.58	400.75	9.38	-63.20
CCCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061011	0	50	0.0	-81.37	406.70	8.62	-72.75
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COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1Br	REAL300012061014	0	38	0.0	-84.59	340.76	5.99	-78.60
CC(C)OC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061015	0	44	0.0	-72.71	358.79	6.95	-65.76
CCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300012061016	0	51	0.0	-85.37	414.44	7.73	-77.64
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300012061017	0	48	0.0	-85.42	392.94	6.95	-78.47
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CCCCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300012061019	0	57	0.0	-85.06	457.44	9.29	-75.77
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O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)C(O)=C1	REAL300012061021	0	41	0.0	-81.13	367.98	8.48	-72.65
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)C(O)=C1	REAL300012061022	0	41	0.0	-81.69	375.42	9.33	-72.36
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)C(O)=C1	REAL300012061023	0	44	0.0	-83.32	375.09	7.70	-75.62
CCC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C2=CC=CC=C2O1	REAL300012061024	0	43	0.0	-84.84	360.04	7.98	-76.86
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)C(O)=C1	REAL300012061025	0	43	0.0	-85.29	375.18	9.21	-76.08
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)C(O)=C1	REAL300012061026	0	40	0.0	-81.10	362.10	6.89	-74.21
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OC(F)(F)F)C(O)=C1	REAL300012061027	0	38	0.0	-77.02	335.49	5.90	-71.12
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(SC(F)(F)F)C=C2)C(O)=C1	REAL300012061028	0	38	0.0	-84.83	347.24	7.49	-77.34
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C([N+](=O)[O-])C=C1O	REAL300012061029	0	41	0.0	-83.81	350.83	3.75	-80.06
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(Cl)=C1	REAL300012061030	0	38	0.0	-76.55	333.03	5.76	-70.79
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C(O)=C1	REAL300012061031	0	38	0.0	-84.84	336.84	5.82	-79.02
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S2)C(O)=C1	REAL300012061032	0	43	0.0	-88.51	386.87	9.48	-79.03
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)C(O)=C1	REAL300012061033	0	43	0.0	-84.74	387.35	9.54	-75.20
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C(O)=C1	REAL300012061034	0	41	0.0	-87.59	353.64	5.97	-81.62
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061035	0	44	0.0	-84.23	368.69	6.57	-77.66
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=CS2)C(O)=C1	REAL300012061036	0	38	0.0	-77.97	334.59	5.16	-72.81
COC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061037	0	45	0.0	-87.34	376.76	5.19	-82.15
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC3=CC=CC=C23)C(O)=C1	REAL300012061038	0	37	0.0	-82.45	327.74	7.41	-75.04
CCOC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=NN1CC(C)C	REAL300012061039	0	53	0.0	-77.17	416.45	6.15	-71.02
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3OC2)C(O)=C1	REAL300012061040	0	40	0.0	-83.76	336.90	6.53	-77.23
CC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)O2)C=C1	REAL300012061041	0	44	0.0	-81.85	372.49	8.59	-73.26
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)O1	REAL300012061042	0	41	0.0	-79.05	351.92	5.15	-73.90
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=CN=C2)C(O)=C1	REAL300012061043	0	40	0.0	-87.63	341.78	4.13	-83.50
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)C(O)=C1	REAL300012061044	0	47	0.0	-89.25	391.79	5.04	-84.21
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC3CCCO3)C=C2)C(O)=C1	REAL300012061045	0	49	0.0	-84.23	399.17	6.64	-77.59
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)C(O)=C1	REAL300012061046	0	41	0.0	-82.26	365.09	8.88	-73.38
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=CC=CN=C32)C(O)=C1	REAL300012061047	0	39	0.0	-73.35	330.64	6.57	-66.78
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)C(O)=C1	REAL300012061048	0	47	0.0	-79.89	393.52	7.68	-72.21
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061049	0	43	0.0	-83.59	361.71	5.04	-78.55
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C(O)=C1	REAL300012061050	0	41	0.0	-87.84	349.20	7.24	-80.60
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C(O)=C1	REAL300012061051	0	40	0.0	-90.61	344.14	8.55	-82.06
CC(C)N1N=CC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=C(Cl)N=C21	REAL300012061052	0	45	0.0	-87.99	389.69	7.14	-80.85
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)C(O)=C1	REAL300012061053	0	41	0.0	-80.71	375.60	9.33	-71.38
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OCC1=CC=NC=C1	REAL300012061054	0	51	0.0	-88.94	426.23	7.43	-81.51
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)C(O)=C1	REAL300012061055	0	41	0.0	-81.67	368.05	8.98	-72.69
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)C(O)=C1	REAL300012061056	0	37	0.0	-79.08	341.75	7.51	-71.57
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C=C2Cl)C(O)=C1	REAL300012061057	0	34	0.0	-79.16	309.95	6.54	-72.62
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C(Cl)=C2)C(O)=C1	REAL300012061058	0	34	0.0	-87.78	313.44	6.59	-81.19
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)C(O)=C1	REAL300012061059	0	37	0.0	-90.87	335.17	7.08	-83.79
CCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061060	0	41	0.0	-79.67	342.20	6.25	-73.42
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2Cl)C(O)=C1	REAL300012061061	0	34	0.0	-76.06	320.27	6.98	-69.08
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C=C2C(F)(F)F)C(O)=C1	REAL300012061062	0	37	0.0	-81.10	325.77	7.18	-73.92
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=C(F)C(F)=C2)C(O)=C1	REAL300012061063	0	34	0.0	-94.41	309.85	6.21	-88.20
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)C(O)=C1	REAL300012061064	0	37	0.0	-88.33	335.98	7.09	-81.24
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2F)C(O)=C1	REAL300012061065	0	37	0.0	-80.76	334.42	7.08	-73.68
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(Cl)=C1OC	REAL300012061066	0	42	0.0	-80.55	365.50	5.81	-74.74
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3S2)C(O)=C1	REAL300012061067	0	37	0.0	-81.10	328.23	7.57	-73.53
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C(F)=C2)C(O)=C1	REAL300012061068	0	34	0.0	-87.90	313.44	6.60	-81.30
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061069	0	50	0.0	-82.61	425.60	9.36	-73.25
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OC(F)F)C(O)=C1	REAL300012061070	0	38	0.0	-81.59	345.46	6.19	-75.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C(O)=C1	REAL300012061071	0	41	0.0	-81.71	375.42	9.32	-72.39
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=C2)=C1	REAL300012061072	0	49	0.0	-83.59	422.98	9.69	-73.90
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)C(O)=C1	REAL300012061073	0	44	0.0	-91.79	373.34	4.55	-87.24
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OCC(F)(F)F	REAL300012061074	0	45	0.0	-89.53	391.02	6.61	-82.92
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C(O)=C1	REAL300012061075	0	47	0.0	-85.04	396.99	7.54	-77.50
CC(C)C1=NN(C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061076	0	43	0.0	-82.83	356.05	5.67	-77.16
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=C3OCCOC3=C2)C(O)=C1	REAL300012061077	0	40	0.0	-86.39	355.70	5.85	-80.54
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3C=CC(C(F)(F)F)=N3)C=C2)C(O)=C1	REAL300012061078	0	44	0.0	-91.37	390.37	8.19	-83.18
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061079	0	43	0.0	-80.91	370.38	6.02	-74.89
COCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061080	0	45	0.0	-80.80	375.83	5.53	-75.27
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300012061081	0	38	0.0	-84.81	336.37	5.88	-78.93
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C(O)=C1	REAL300012061082	0	39	0.0	-82.15	351.11	4.95	-77.20
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061083	0	46	0.0	-86.04	372.23	7.60	-78.44
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300012061084	0	50	0.0	-90.15	408.96	5.96	-84.19
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C(O)=C1	REAL300012061085	0	41	0.0	-82.26	361.77	6.72	-75.54
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=C2OCCO3)C(O)=C1	REAL300012061086	0	40	0.0	-77.48	333.71	5.25	-72.23
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=C2OCCCO3)C(O)=C1	REAL300012061087	0	43	0.0	-78.53	350.65	6.05	-72.48
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061088	0	46	0.0	-85.08	376.63	8.10	-76.98
CCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061089	0	44	0.0	-79.60	363.70	7.06	-72.54
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C(O)=C1	REAL300012061090	0	41	0.0	-81.02	356.89	8.61	-72.41
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC3CCCC3)=C2)C(O)=C1	REAL300012061091	0	48	0.0	-79.16	384.94	8.23	-70.93
CC(C)OC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061092	0	44	0.0	-79.41	360.12	6.88	-72.53
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012061093	0	47	0.0	-78.79	399.72	8.06	-70.73
CC1=CC=C(C2=NC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CS2)C=C1	REAL300012061094	0	43	0.0	-79.49	377.09	7.49	-72.00
CC(C)C1=NC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CS1	REAL300012061095	0	39	0.0	-77.07	338.61	5.07	-72.00
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C(O)=C1	REAL300012061096	0	48	0.0	-82.34	405.83	9.48	-72.86
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)C(O)=C1	REAL300012061097	1	44	0.0	-81.72	387.28	6.35	-75.37
CC1=CC=C(OCC2=NC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CS2)C=C1	REAL300012061098	1	47	0.0	-81.65	408.68	7.01	-74.64
CC(C)(C)C1=NC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CS1	REAL300012061099	0	42	0.0	-76.70	357.55	5.58	-71.12
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(C3=CSC=C3)=N2)C(O)=C1	REAL300012061100	0	37	0.0	-79.34	346.73	5.76	-73.58
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C(O)=C1	REAL300012061101	0	41	0.0	-82.59	365.10	8.88	-73.71
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061102	0	48	0.0	-74.37	396.90	6.91	-67.46
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OC2CCCC2)C(O)=C1	REAL300012061103	0	48	0.0	-73.06	384.55	8.31	-64.75
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061104	0	51	0.0	-81.26	422.99	6.96	-74.30
CC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)S2)C=C1	REAL300012061105	0	44	0.0	-80.55	380.09	9.49	-71.06
O=C([O-])C1=CC=C(C[NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C(O)=C1	REAL300012061106	0	40	0.0	-90.47	356.94	6.34	-84.13
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061107	0	38	0.0	-81.30	353.09	6.47	-74.83
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC=C2Cl)C(O)=C1	REAL300012061108	0	34	0.0	-76.04	324.84	7.09	-68.95
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2Br)C(O)=C1	REAL300012061109	0	34	0.0	-75.27	323.86	7.09	-68.18
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)C(O)=C1	REAL300012061110	0	45	0.0	-83.31	392.37	9.02	-74.29
CCOC1=C(OC)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300012061111	0	49	0.0	-90.16	404.60	6.09	-84.07
COCCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061112	0	48	0.0	-81.15	397.38	6.13	-75.02
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CN=C1Cl	REAL300012061113	0	36	0.0	-88.45	321.35	5.26	-83.19
COC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061114	0	42	0.0	-80.39	358.21	4.95	-75.44
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)C=CC=C2OC(F)F)C(O)=C1	REAL300012061115	0	38	0.0	-73.88	342.81	6.07	-67.81
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCCCC3=CC=CC=C3)=C2)C(O)=C1	REAL300012061116	0	54	0.0	-80.87	445.11	10.86	-70.01
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OC1=CC=CN=C1	REAL300012061117	0	47	0.0	-84.97	396.14	7.90	-77.07
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC(=O)NCC2CC2)C(O)=C1	REAL300012061118	0	52	0.0	-74.07	432.54	7.32	-66.75
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)S2)C=C1	REAL300012061119	0	43	0.0	-82.55	377.27	7.73	-74.82
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C(O)=C1	REAL300012061120	0	39	0.0	-74.96	347.37	7.07	-67.89
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)C(O)=C1	REAL300012061121	0	39	0.0	-78.01	336.23	6.61	-71.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)C(O)=C1	REAL300012061122	0	39	0.0	-76.06	337.07	6.63	-69.43
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C(O)=C1	REAL300012061123	0	39	0.0	-77.27	345.07	6.99	-70.28
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)C(O)=C1	REAL300012061124	0	41	0.0	-83.11	365.58	8.08	-75.03
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)O1	REAL300012061125	0	44	0.0	-83.46	378.04	8.67	-74.79
CCC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)O2)C=C1	REAL300012061126	0	47	0.0	-81.69	393.97	9.36	-72.33
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(OC(F)F)=C1	REAL300012061127	0	42	0.0	-83.15	358.21	4.96	-78.19
COC1=CC=C2OC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CC2=C1	REAL300012061128	0	41	0.0	-85.31	348.19	5.84	-79.47
O=C([O-])C1=CC=C(C[NH2+]CC=CC2=CC=C(Cl)C=C2)C(O)=C1	REAL300012061129	0	38	0.0	-82.40	338.62	7.85	-74.55
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C2=CC=CC=C2O1	REAL300012061130	0	40	0.0	-84.97	338.56	7.21	-77.76
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C(O)=C1	REAL300012061131	0	42	0.0	-85.24	357.61	7.79	-77.45
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1Br	REAL300012061132	0	37	0.0	-82.01	330.34	7.22	-74.79
O=C([O-])C1=CC=C(C[NH2+]CC=CC2=CC=C(F)C=C2F)C(O)=C1	REAL300012061133	0	38	0.0	-83.07	333.80	7.43	-75.64
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1Br	REAL300012061134	0	37	0.0	-83.42	330.35	7.22	-76.20
O=C([O-])C1=CC=C(C[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C(O)=C1	REAL300012061135	0	41	0.0	-81.22	349.74	7.15	-74.07
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC3=C2OCC3)C(O)=C1	REAL300012061136	0	39	0.0	-76.49	343.35	6.35	-70.14
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=C(F)C=CC=C3N2)C(O)=C1	REAL300012061137	0	38	0.0	-87.38	329.24	6.05	-81.33
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=C(F)C=C3N2)C(O)=C1	REAL300012061138	0	38	0.0	-87.82	329.14	6.04	-81.78
CCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=N1	REAL300012061139	0	40	0.0	-81.29	339.87	3.63	-77.66
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC2=CC=CN=C12	REAL300012061140	0	42	0.0	-87.42	352.09	7.23	-80.19
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1Cl	REAL300012061141	0	37	0.0	-83.32	326.31	7.13	-76.19
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C3C=CSC3=C2)C(O)=C1	REAL300012061142	0	36	0.0	-87.23	322.72	5.51	-81.72
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)O2)C=C1	REAL300012061143	0	53	0.0	-81.47	427.20	10.24	-71.23
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061144	0	54	0.0	-72.73	414.57	9.23	-63.50
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061145	0	54	0.0	-76.63	433.29	9.15	-67.48
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061146	0	52	0.0	-84.86	425.05	10.86	-74.00
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061147	0	50	0.0	-85.96	425.82	9.06	-76.90
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300012061148	0	48	0.0	-84.43	390.11	7.09	-77.34
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C(SC)C=C1OC	REAL300012061149	0	46	0.0	-78.49	385.21	6.17	-72.32
COC1=CC=C2N=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)SC2=C1	REAL300012061150	0	40	0.0	-82.17	352.49	4.84	-77.33
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061151	0	40	0.0	-88.32	354.82	6.91	-81.41
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1C#N	REAL300012061152	0	39	0.0	-92.91	340.56	5.74	-87.17
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(SC(F)F)C=C2)C(O)=C1	REAL300012061153	0	38	0.0	-83.71	340.67	7.30	-76.41
CC1=CC(Cl)=CC(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061154	0	40	0.0	-82.07	340.73	7.60	-74.47
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C(O)=C1	REAL300012061155	0	38	0.0	-88.58	336.33	5.68	-82.90
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)N=C1	REAL300012061156	0	40	0.0	-80.31	337.26	4.40	-75.91
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061157	0	40	0.0	-85.22	344.74	7.67	-77.55
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC(Cl)=C1OC	REAL300012061158	0	42	0.0	-89.44	369.56	5.86	-83.58
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061159	0	50	0.0	-80.66	430.54	9.23	-71.43
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OCC(C)C	REAL300012061160	0	51	0.0	-85.18	413.06	7.63	-77.55
CCCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OC	REAL300012061161	0	48	0.0	-85.46	392.95	6.95	-78.51
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)S2)C(O)=C1	REAL300012061162	0	31	0.0	-82.02	302.74	5.86	-76.16
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC(Cl)=C1OC	REAL300012061163	0	45	0.0	-89.52	391.41	6.79	-82.73
C=CCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061164	0	42	0.0	-79.93	355.11	6.84	-73.09
COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1OC(C)C	REAL300012061165	0	48	0.0	-78.23	388.74	7.03	-71.20
CCOC1=C(Cl)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300012061166	0	45	0.0	-89.31	391.42	6.82	-82.49
CCCOC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=CC=C1OCC	REAL300012061167	0	51	0.0	-77.74	415.70	8.04	-69.70
CCCCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OC	REAL300012061168	0	51	0.0	-85.51	414.45	7.73	-77.78
CCCOC1=C(Cl)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OCC	REAL300012061169	0	51	0.0	-89.19	434.76	8.54	-80.65
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061170	0	50	0.0	-81.88	425.34	9.68	-72.20
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC(F)F	REAL300012061171	0	42	0.0	-82.77	359.36	5.52	-77.25
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OC(F)F	REAL300012061172	0	45	0.0	-87.55	381.20	6.43	-81.12
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC(C)=C1OC(F)F	REAL300012061173	0	44	0.0	-83.87	368.16	7.02	-76.85
CCOC1=CC2=C(C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O)OC(C)C2	REAL300012061174	0	49	0.0	-74.96	397.72	6.91	-68.05
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC2=C1OCCO2	REAL300012061175	0	44	0.0	-87.99	364.54	5.05	-82.94
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C(O)=C1	REAL300012061176	0	43	0.0	-88.27	385.33	7.46	-80.81
CCCCN1N=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1Cl	REAL300012061177	0	46	0.0	-79.88	393.23	7.12	-72.76
CCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1OC(F)F	REAL300012061178	0	45	0.0	-78.85	379.76	6.61	-72.24
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC(=O)N2CCCC2)C(O)=C1	REAL300012061179	0	52	0.0	-73.97	425.08	8.20	-65.77
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C(O)=C1	REAL300012061180	0	41	0.0	-80.53	358.69	8.81	-71.72
CCCOC1=C(Cl)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300012061181	0	48	0.0	-89.18	412.92	7.62	-81.56
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061182	0	56	0.0	-81.74	442.40	10.10	-71.64
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)C(O)=C1	REAL300012061183	0	41	0.0	-84.57	365.80	8.10	-76.47
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2CCCCC2)=N1	REAL300012061184	0	50	0.0	-83.76	397.68	7.57	-76.19
CC(CCC1=CC=CC=C1)C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061185	0	46	0.0	-77.27	369.87	8.91	-68.36
CC1(C)CCC2=C(C1)SC(C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O)=N2	REAL300012061186	0	46	0.0	-76.81	375.13	6.69	-70.12
CCC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061187	0	40	0.0	-72.14	340.82	7.70	-64.44
CC1=C(C)C=C2OC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CC2=C1	REAL300012061188	0	43	0.0	-83.22	357.02	7.76	-75.46
CCCC1CCC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)CC1	REAL300012061189	0	49	0.0	-76.09	365.41	8.12	-67.97
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)C(O)=C1	REAL300012061190	0	41	0.0	-86.68	363.95	6.42	-80.26
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C(O)=C1	REAL300012061191	0	41	0.0	-89.26	346.80	8.41	-80.85
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C(O)=C1	REAL300012061192	0	41	0.0	-82.09	359.51	8.04	-74.05
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=C3OCCOC3=C2)C(O)=C1	REAL300012061193	0	40	0.0	-86.68	351.32	5.72	-80.96
CCCCC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C2=CC=CC=C2O1	REAL300012061194	0	49	0.0	-82.67	398.95	9.54	-73.13
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C(O)=C1	REAL300012061195	0	47	0.0	-91.74	397.75	10.70	-81.04
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OCC1=CC=CS1	REAL300012061196	0	49	0.0	-87.05	421.58	8.27	-78.78
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061197	0	47	0.0	-88.06	394.08	8.25	-79.81
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)C(O)=C1	REAL300012061198	0	43	0.0	-88.02	369.75	6.51	-81.51
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3Cl)=C2)C(O)=C1	REAL300012061199	0	48	0.0	-81.72	415.28	9.89	-71.83
COC1=CC=C(C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061200	0	41	0.0	-73.41	340.40	6.06	-67.35
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300012061201	0	38	0.0	-86.90	326.57	5.40	-81.50
O=C([O-])C1=CC=C(C[NH2+]CC2CCC(C(F)(F)F)CC2)C(O)=C1	REAL300012061202	0	43	0.0	-82.41	341.64	7.10	-75.31
CC(C)C1CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)CCO1	REAL300012061203	0	47	0.0	-79.60	361.95	6.08	-73.52
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)C(O)=C1	REAL300012061204	0	41	0.0	-91.82	368.00	6.80	-85.02
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)C(O)=C1	REAL300012061205	1	40	0.0	-88.95	367.29	6.62	-82.33
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C(O)=C1	REAL300012061206	1	40	0.0	-88.10	366.34	6.43	-81.67
CCSC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061207	0	41	0.0	-79.69	352.53	7.88	-71.81
O=C([O-])C1=CC=C(C[NH2+]CC2=C(O)C=CC(Cl)=C2F)C(O)=C1	REAL300012061208	1	35	0.0	-77.96	322.01	3.76	-74.20
CCN1N=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C2=CC=CC=C21	REAL300012061209	0	43	0.0	-81.84	362.61	6.81	-75.03
COCCC1(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)CCCCC1	REAL300012061210	0	50	0.0	-77.25	369.52	6.25	-71.00
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=C(Cl)S2)C(O)=C1	REAL300012061211	0	31	0.0	-84.47	318.57	6.33	-78.14
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061212	0	44	0.0	-81.43	363.71	7.06	-74.37
COC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)O2)C([N+](=O)[O-])=C1	REAL300012061213	0	47	0.0	-86.42	404.68	8.50	-77.92
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)O2)C(O)=C1	REAL300012061214	0	41	0.0	-84.57	382.97	8.88	-75.69
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061215	0	47	0.0	-80.73	409.13	8.55	-72.18
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C(O)=C1	REAL300012061216	0	41	0.0	-81.94	351.10	7.92	-74.02
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OC(C)C	REAL300012061217	0	48	0.0	-85.34	389.37	6.77	-78.57
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OCC	REAL300012061218	0	51	0.0	-85.38	414.80	7.87	-77.51
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1[N+](=O)[O-]	REAL300012061219	0	39	0.0	-91.70	335.06	7.22	-84.48
CC(C)OC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061220	0	44	0.0	-81.56	360.13	6.88	-74.68
CCCCCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061221	0	56	0.0	-81.24	449.70	10.18	-71.06
CC(C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O)CC1=CC=C(C(C)(C)C)C=C1	REAL300012061222	0	55	0.0	-78.55	423.82	10.40	-68.15
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Br)C=CS2)C(O)=C1	REAL300012061223	0	31	0.0	-73.51	300.53	5.67	-67.84
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2N2CCOCC2)C(O)=C1	REAL300012061224	0	47	0.0	-76.30	375.30	5.62	-70.68
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC=C2Br)C(O)=C1	REAL300012061225	0	34	0.0	-76.01	313.53	6.65	-69.36
CC(C)CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061226	0	46	0.0	-78.12	371.99	8.72	-69.40
CC1=CC=C(C2=CC=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=C2)C=C1	REAL300012061227	0	47	0.0	-82.09	386.46	10.11	-71.98
COC1=CC=C(Br)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061228	0	38	0.0	-75.05	335.75	5.90	-69.15
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1[N+](=O)[O-]	REAL300012061229	0	40	0.0	-98.00	346.37	6.77	-91.23
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(O)=C1	REAL300012061230	0	34	0.0	-84.87	324.31	7.04	-77.83
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC(Cl)=C2)C(O)=C1	REAL300012061231	0	34	0.0	-85.86	313.99	6.61	-79.25
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CO2)C(O)=C1	REAL300012061232	0	31	0.0	-82.15	293.30	4.81	-77.34
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061233	0	47	0.0	-80.69	386.92	10.11	-70.58
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C(O)=C1	REAL300012061234	0	40	0.0	-90.19	368.64	8.04	-82.15
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC(F)F)=C2)C(O)=C1	REAL300012061235	0	38	0.0	-84.30	330.10	5.61	-78.69
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OCC	REAL300012061236	0	48	0.0	-85.74	393.30	7.07	-78.67
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C=C2F)C(O)=C1	REAL300012061237	0	34	0.0	-80.20	313.15	6.58	-73.62
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(O)=C1	REAL300012061238	0	37	0.0	-89.64	342.74	7.44	-82.20
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C=C2Br)C(O)=C1	REAL300012061239	0	34	0.0	-78.45	313.54	6.65	-71.80
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(O)=C1	REAL300012061240	0	38	0.0	-84.26	336.84	5.82	-78.44
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2F)C(O)=C1	REAL300012061241	0	34	0.0	-77.81	313.14	6.57	-71.24
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061242	0	48	0.0	-82.08	399.08	9.09	-72.99
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)C(O)=C1	REAL300012061243	0	44	0.0	-83.95	390.13	8.94	-75.01
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(Cl)=C2F)C(O)=C1	REAL300012061244	0	34	0.0	-81.90	311.59	6.57	-75.33
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C2=CC=CC=C12	REAL300012061245	0	44	0.0	-83.86	360.17	7.52	-76.34
O=C([O-])C1=CC=C(C[NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C(O)=C1	REAL300012061246	0	41	0.0	-82.45	348.92	5.95	-76.50
O=C([O-])C1=CC=C(C[NH2+]CC2=NNC=C2C2=CC=CC=C2)C(O)=C1	REAL300012061246	1	41	0.0	-75.25	349.24	5.98	-69.27
CN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061247	0	40	0.0	-85.24	337.27	6.37	-78.87
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(Br)=C1O	REAL300012061248	0	39	0.0	-79.44	346.48	3.75	-75.69
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(Br)=C2)C(O)=C1	REAL300012061249	0	31	0.0	-82.17	302.50	5.71	-76.46
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OCC1=CC=CN=C1	REAL300012061250	0	51	0.0	-90.39	426.19	7.42	-82.97
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OCC2=CC=CN=C2)C(O)=C1	REAL300012061251	0	47	0.0	-77.21	412.25	8.11	-69.10
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C(C2=CC=CC=C2)C=C1OC	REAL300012061252	0	52	0.0	-81.20	422.03	8.63	-72.57
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C(O)=C1	REAL300012061253	0	44	0.0	-82.12	365.06	9.43	-72.69
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C(O)=C1	REAL300012061254	0	47	0.0	-74.43	395.59	7.60	-66.83
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)C(O)=C1	REAL300012061255	0	45	0.0	-84.50	364.77	5.94	-78.56
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C(F)=C2)C(O)=C1	REAL300012061256	0	34	0.0	-87.99	317.85	6.70	-81.29
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C(O)=C1	REAL300012061257	0	43	0.0	-80.94	362.57	7.91	-73.03
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(O)=C1	REAL300012061258	0	43	0.0	-83.78	360.07	7.67	-76.11
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(O)=C1	REAL300012061259	0	43	0.0	-85.83	360.26	7.68	-78.15
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061260	0	49	0.0	-83.43	384.28	6.62	-76.81
CN1CCN(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=C2)CC1	REAL300012061261	1	51	0.0	-80.16	400.07	4.74	-75.42
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(O)=C1	REAL300012061262	0	43	0.0	-87.08	372.26	4.53	-82.55
CNC(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061263	0	41	0.0	-90.91	347.32	4.31	-86.60
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(O)=C1	REAL300012061264	0	41	0.0	-87.41	356.09	7.31	-80.10
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061265	0	47	0.0	-87.51	404.40	8.70	-78.81
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(O)=C1	REAL300012061266	0	41	0.0	-86.79	366.41	7.76	-79.03
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061267	0	47	0.0	-90.54	401.25	8.42	-82.12
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC(C)=C1OCC1=CC=CC=N1	REAL300012061268	0	53	0.0	-84.77	436.63	9.12	-75.65
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C(O)=C1	REAL300012061269	0	41	0.0	-84.80	361.77	6.72	-78.08
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3C=C2)C(O)=C1	REAL300012061270	0	40	0.0	-82.12	336.96	8.29	-73.83
COC1=C2OC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CC2=CC=C1	REAL300012061271	0	41	0.0	-85.47	348.22	5.85	-79.62
CC(C)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1[N+](=O)[O-]	REAL300012061272	0	45	0.0	-91.86	375.93	8.53	-83.33
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=C3OCOC3=C2)C(O)=C1	REAL300012061273	0	37	0.0	-89.31	338.21	5.31	-84.00
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061274	0	50	0.0	-85.05	409.09	8.54	-76.51
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061275	0	50	0.0	-86.55	426.50	9.11	-77.44
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OCC(C)C	REAL300012061276	0	54	0.0	-85.03	434.90	8.55	-76.48
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC=C2F)C(O)=C1	REAL300012061277	0	34	0.0	-77.83	317.71	6.67	-71.16
COC1=CC(Br)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300012061278	0	42	0.0	-80.39	364.99	5.81	-74.58
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C=C2F)C(O)=C1	REAL300012061279	0	34	0.0	-80.33	317.71	6.69	-73.64
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC(OC)=C1	REAL300012061280	0	42	0.0	-81.34	349.85	4.64	-76.70
COC1=CC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=C2C=C1	REAL300012061281	0	44	0.0	-85.43	366.31	7.58	-77.85
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CS2)C(O)=C1	REAL300012061283	0	31	0.0	-80.31	302.54	5.76	-74.55
CCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OCC	REAL300012061284	0	54	0.0	-85.39	436.30	8.65	-76.74
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061285	0	47	0.0	-85.36	387.16	8.12	-77.24
COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1OC(F)F	REAL300012061286	0	42	0.0	-79.07	357.91	5.70	-73.37
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(CSC(F)F)O2)C(O)=C1	REAL300012061287	0	38	0.0	-82.72	351.38	6.61	-76.11
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3N=C2N2CCCCC2)C(O)=C1	REAL300012061288	0	54	0.0	-82.01	428.92	9.29	-72.72
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3NC2=O)C(O)=C1	REAL300012061289	0	40	0.0	-81.99	341.20	5.08	-76.91
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C(Br)=C2)C(O)=C1	REAL300012061291	0	34	0.0	-87.64	317.85	6.69	-80.95
CC1=CC=C(COC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=C2)C=C1	REAL300012061292	0	51	0.0	-82.77	423.53	9.99	-72.78
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCCCC3)C=C2)C(O)=C1	REAL300012061293	0	49	0.0	-79.19	383.78	7.31	-71.88
CCCCCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061294	0	53	0.0	-79.40	428.20	9.40	-70.00
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1SC	REAL300012061295	0	42	0.0	-85.77	359.76	6.38	-79.39
N#CCCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061296	0	45	0.0	-86.21	384.56	7.57	-78.64
CCCCCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OC	REAL300012061297	0	54	0.0	-85.50	435.95	8.51	-76.99
CCC(C)OC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OC	REAL300012061298	0	51	0.0	-85.37	410.12	7.56	-77.81
CCCCCCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061299	0	56	0.0	-79.32	449.70	10.18	-69.14
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OCCCC#N	REAL300012061300	0	49	0.0	-95.90	413.80	7.47	-88.43
C=C(C)COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OC	REAL300012061301	0	49	0.0	-86.55	403.73	7.50	-79.05
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OCCC(C)C	REAL300012061302	0	54	0.0	-85.55	432.02	8.25	-77.30
C=CCC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC(OC)=C1O	REAL300012061303	0	46	0.0	-86.23	385.71	5.18	-81.05
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C(O)=C1	REAL300012061304	0	41	0.0	-89.31	350.25	5.96	-83.35
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061305	0	43	0.0	-84.51	369.05	6.99	-77.52
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061306	0	44	0.0	-83.25	387.68	4.59	-78.66
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OCC(F)(F)F	REAL300012061307	0	48	0.0	-89.67	412.88	7.53	-82.14
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C(O)=C1	REAL300012061308	1	40	0.0	-87.39	343.75	5.86	-81.53
O=C([O-])C1=CC=C(C[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C(O)=C1	REAL300012061309	0	40	0.0	-80.30	354.00	6.80	-73.50
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)C(O)=C1	REAL300012061310	0	47	0.0	-86.33	384.89	5.16	-81.17
CN1C=NC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300012061311	0	40	0.0	-84.54	339.24	7.38	-77.16
CCN1N=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1C	REAL300012061312	0	43	0.0	-84.07	352.95	5.68	-78.39
C=CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300012061313	0	42	0.0	-85.06	371.13	7.39	-77.67
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C(O)=C1	REAL300012061314	0	40	0.0	-82.74	355.87	7.05	-75.69
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C2OC(C)CC2=C1	REAL300012061315	0	46	0.0	-76.67	377.27	5.91	-70.76
CC1(C)CC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CC=C2O1	REAL300012061316	0	45	0.0	-83.22	368.25	7.28	-75.94
O=C([O-])C1=CC=C(C[NH2+]CC2=COC(C3=CC=CC=C3)=N2)C(O)=C1	REAL300012061317	0	40	0.0	-82.40	347.51	4.47	-77.93
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(C3=CC=CS3)=N2)C(O)=C1	REAL300012061318	0	37	0.0	-79.83	347.32	5.85	-73.98
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061319	0	44	0.0	-82.35	368.27	6.55	-75.80
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)C(O)=C1	REAL300012061320	0	37	0.0	-87.37	346.31	7.52	-79.85
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C=C2Cl)C(O)=C1	REAL300012061321	0	34	0.0	-78.47	324.84	7.09	-71.38
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(Br)=C1	REAL300012061322	0	37	0.0	-73.36	328.55	7.25	-66.11
CC(C)COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061323	0	47	0.0	-81.27	383.81	7.75	-73.52
COCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061324	0	45	0.0	-83.84	375.83	5.53	-78.31
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061325	0	49	0.0	-85.20	419.59	9.73	-75.47
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C(O)=C1	REAL300012061326	0	38	0.0	-86.71	346.13	6.15	-80.56
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)C(O)=C1	REAL300012061327	0	42	0.0	-87.05	383.89	7.49	-79.56
CN1N=C(C2=CC=CC=C2)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1Cl	REAL300012061328	0	44	0.0	-77.84	385.04	7.57	-70.27
COC1=CC2=C(C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O)OCO2	REAL300012061329	0	41	0.0	-80.40	345.01	4.05	-76.35
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=CC3=CC=CC=C32)C(O)=C1	REAL300012061330	0	39	0.0	-82.76	327.27	6.40	-76.36
CC(C)COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061331	0	47	0.0	-79.35	383.81	7.75	-71.60
CC1=CC(Cl)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061332	0	37	0.0	-82.83	323.01	7.10	-75.73
O=C([O-])C1=CC=C(C[NH2+]CC=CC2=CC=C(F)C=C2)C(O)=C1	REAL300012061333	0	38	0.0	-83.34	328.30	7.40	-75.94
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=CC(Br)=C2)C(O)=C1	REAL300012061334	0	33	0.0	-85.79	307.01	4.85	-80.94
CN1N=NC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300012061335	0	39	0.0	-91.82	334.83	4.48	-87.34
CC1(C)CC2=CC=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=C2O1	REAL300012061336	0	45	0.0	-73.52	368.07	7.25	-66.27
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC3=C2OCC3)C(O)=C1	REAL300012061337	0	39	0.0	-76.42	347.92	6.46	-69.96
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2=CC=CC=C2)=N1	REAL300012061338	0	44	0.0	-84.06	370.03	7.19	-76.87
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C(O)=C1	REAL300012061339	0	41	0.0	-83.47	349.26	7.23	-76.24
CC1=C(Br)SC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061340	0	34	0.0	-82.07	322.34	6.47	-75.60
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C3=CC=CN=C23)C(O)=C1	REAL300012061341	0	39	0.0	-77.54	349.14	7.08	-70.46
CC1=NC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=C2C=C1	REAL300012061342	0	42	0.0	-87.78	353.54	7.01	-80.77
COC1=CC=C(OC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=C2)C=C1	REAL300012061343	0	49	0.0	-84.05	409.07	8.17	-75.88
O=C([O-])C1=CC=C(C[NH2+]CC2=NC=CC=C2C(F)(F)F)C(O)=C1	REAL300012061344	0	36	0.0	-72.01	314.76	5.09	-66.92
CC1=CC(C)=CC(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=C2)=C1	REAL300012061345	0	50	0.0	-82.12	407.87	10.77	-71.35
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1N1C=NC=N1	REAL300012061346	0	43	0.0	-90.51	359.77	9.48	-81.03
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC(F)=CC=C3O2)C(O)=C1	REAL300012061347	0	37	0.0	-86.02	325.14	6.62	-79.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC(F)F)C=C2)C(O)=C1	REAL300012061348	0	41	0.0	-86.28	355.21	6.57	-79.71
COCC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061349	0	41	0.0	-80.29	345.91	5.75	-74.54
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061350	0	44	0.0	-87.07	386.06	8.35	-78.72
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C(O)=C1	REAL300012061351	0	48	0.0	-81.73	408.53	9.38	-72.35
CCCCOC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061352	0	47	0.0	-73.00	383.79	7.91	-65.09
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C(O)=C1	REAL300012061353	0	45	0.0	-85.49	391.44	10.13	-75.36
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C(OC(F)F)C=C1C	REAL300012061354	0	44	0.0	-79.18	367.10	6.88	-72.30
COC1=CC(C)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300012061355	0	45	0.0	-84.59	364.34	5.86	-78.73
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061356	0	40	0.0	-89.29	354.06	6.89	-82.40
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061357	1	40	0.0	-78.85	352.47	4.10	-74.75
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061358	0	43	0.0	-84.58	374.53	5.51	-79.07
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CSC=C2)C(O)=C1	REAL300012061359	0	38	0.0	-82.66	337.69	4.87	-77.79
CSC1=CC(Br)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061360	0	38	0.0	-76.63	347.85	7.58	-69.05
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)C(O)=C1	REAL300012061361	0	44	0.0	-86.27	381.51	7.77	-78.50
CC1CCC2=C(C1)SC(C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O)=N2	REAL300012061362	0	43	0.0	-77.01	360.19	6.39	-70.62
CC(C)(C)C1CCC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)CC1	REAL300012061363	0	52	0.0	-76.79	373.63	8.11	-68.68
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061364	0	48	0.0	-76.55	393.12	8.82	-67.73
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061365	0	48	0.0	-76.77	393.09	8.81	-67.96
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061366	0	47	0.0	-80.41	388.24	7.05	-73.36
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC3CC3)C=C2)C(O)=C1	REAL300012061367	0	45	0.0	-81.68	373.87	7.84	-73.84
COC1=CC(Cl)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300012061368	0	38	0.0	-78.68	349.04	6.32	-72.36
CC(C)CC1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061369	0	42	0.0	-80.32	358.69	6.21	-74.11
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CS3)S2)C(O)=C1	REAL300012061370	0	37	0.0	-82.91	347.74	6.12	-76.79
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CSC=C3)S2)C(O)=C1	REAL300012061371	0	37	0.0	-82.58	347.01	6.00	-76.58
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)S2)O1	REAL300012061372	0	40	0.0	-85.08	360.56	5.96	-79.12
CC1=CC(Br)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061373	0	37	0.0	-82.98	327.59	7.21	-75.77
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C(Br)=C2)C(O)=C1	REAL300012061374	0	34	0.0	-86.47	326.97	7.10	-79.37
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=CC=C2F)C(O)=C1	REAL300012061375	0	41	0.0	-86.95	353.76	5.97	-80.98
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)C(O)=C1	REAL300012061376	0	43	0.0	-82.47	365.80	7.71	-74.76
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)OC3=CC=CC=C32)C(O)=C1	REAL300012061377	0	37	0.0	-81.19	334.40	7.03	-74.16
COCCOC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061378	0	45	0.0	-72.77	374.42	5.59	-67.18
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C=C2Br)C(O)=C1	REAL300012061379	0	34	0.0	-77.59	323.86	7.09	-70.50
COC1=C(Br)C=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061380	0	38	0.0	-79.65	340.29	6.13	-73.52
O=C([O-])C1=CC=C(C[NH2+]CC2=NC3=C(CCC3)S2)C(O)=C1	REAL300012061381	0	37	0.0	-77.91	321.47	5.20	-72.71
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2=CC=CS2)=N1	REAL300012061382	0	41	0.0	-77.63	357.53	6.47	-71.16
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OC2CCCC2)C(O)=C1	REAL300012061383	0	48	0.0	-75.41	400.78	8.80	-66.61
COC1=CC(Br)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(OC)=C1	REAL300012061384	0	42	0.0	-71.12	366.54	5.18	-65.94
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)C=CC=C2OC2=CC=CC=C2)C(O)=C1	REAL300012061385	0	45	0.0	-69.65	393.97	9.38	-60.27
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CCCO2)C(O)=C1	REAL300012061386	0	49	0.0	-74.36	414.65	7.29	-67.07
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061387	0	53	0.0	-83.80	416.76	9.65	-74.15
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)C(O)=C1	REAL300012061388	0	41	0.0	-83.64	357.50	7.98	-75.66
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061389	0	42	0.0	-80.28	357.68	5.82	-74.46
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3OCCOC3=C2)C(O)=C1	REAL300012061390	0	40	0.0	-83.87	335.35	5.19	-78.68
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(Br)=C2)C(O)=C1	REAL300012061391	0	34	0.0	-81.64	312.14	6.64	-75.00
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2)C(O)=C1	REAL300012061392	0	41	0.0	-86.12	349.68	7.24	-78.88
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=CC=C3Cl)N=C2)C(O)=C1	REAL300012061393	0	44	0.0	-83.56	387.70	8.17	-75.39
CC(C)(C)N1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300012061394	0	43	0.0	-81.02	353.60	5.85	-75.17
CC(=O)NC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061395	0	41	0.0	-85.03	347.20	4.92	-80.11
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC([N+](=O)[O-])=C2)C(O)=C1	REAL300012061396	0	36	0.0	-92.60	319.06	6.70	-85.90
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C([N+](=O)[O-])C=C2)C(O)=C1	REAL300012061397	0	36	0.0	-96.22	319.06	6.70	-89.52
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=CC=CC=C32)C(O)=C1	REAL300012061398	0	40	0.0	-80.93	331.83	8.17	-72.76
CN(C)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061399	0	42	0.0	-78.19	342.34	6.44	-71.75
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061400	0	48	0.0	-77.23	385.98	8.34	-68.89
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C=C2)C(O)=C1	REAL300012061401	0	34	0.0	-83.56	312.14	6.65	-76.91
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC(OC)=C1OC	REAL300012061402	0	46	0.0	-90.38	382.74	5.15	-85.23
O=C([O-])C1=CC=C(C[NH2+]CC2=C(F)C=CC=C2Cl)C(O)=C1	REAL300012061403	0	34	0.0	-71.21	310.21	6.46	-64.75
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OC(F)F)C(O)=C1	REAL300012061404	0	38	0.0	-79.36	328.69	5.67	-73.69
COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1OC	REAL300012061405	0	42	0.0	-77.92	350.62	5.38	-72.54
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C=C2Cl)C(O)=C1	REAL300012061406	0	34	0.0	-78.28	320.28	6.98	-71.30
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCOCC3)C=C2)C(O)=C1	REAL300012061407	0	47	0.0	-81.24	374.85	4.86	-76.38
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300012061408	0	42	0.0	-85.70	349.59	5.23	-80.47
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(OC)=C1	REAL300012061409	0	42	0.0	-76.54	348.46	4.69	-71.85
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2)C(O)=C1	REAL300012061410	0	37	0.0	-86.54	329.57	7.03	-79.51
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(Cl)=C2Cl)C(O)=C1	REAL300012061411	0	34	0.0	-79.91	317.83	6.97	-72.94
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C(Cl)=C2)C(O)=C1	REAL300012061412	0	34	0.0	-86.54	322.76	7.00	-79.54
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061413	0	55	0.0	-78.18	435.24	10.92	-67.26
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C=C2)C(O)=C1	REAL300012061414	0	38	0.0	-84.18	330.10	5.61	-78.57
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2C(F)(F)F)C(O)=C1	REAL300012061415	0	37	0.0	-76.25	319.38	7.11	-69.14
CCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061416	0	47	0.0	-81.53	385.20	7.84	-73.69
CC(C)CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061417	0	50	0.0	-81.46	402.77	8.36	-73.10
CCCCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061418	0	53	0.0	-81.34	428.20	9.40	-71.94
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)C(O)=C1	REAL300012061419	0	45	0.0	-83.11	379.53	8.87	-74.24
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(OCCC)=C1	REAL300012061420	0	54	0.0	-75.72	435.17	8.15	-67.57
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300012061421	0	45	0.0	-85.77	371.45	6.15	-79.62
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2)C(O)=C1	REAL300012061422	0	37	0.0	-84.22	329.90	7.05	-77.17
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(OC)=C1OC	REAL300012061423	0	46	0.0	-81.99	382.72	5.23	-76.76
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OCC1=CC=CC=C1	REAL300012061424	0	52	0.0	-87.04	431.36	9.20	-77.84
CCOC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061425	0	41	0.0	-72.94	340.85	6.33	-66.61
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061426	0	41	0.0	-81.50	342.20	6.25	-75.25
COC1=CC=C(Br)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061427	0	38	0.0	-75.96	340.28	6.01	-69.95
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC(Br)=C1O	REAL300012061428	0	39	0.0	-88.78	351.52	3.80	-84.98
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C(O)=C1	REAL300012061429	0	44	0.0	-81.82	365.06	9.45	-72.37
COC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C2=CC=CC=C2C=C1	REAL300012061430	0	44	0.0	-74.95	361.22	7.51	-67.44
CSC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061431	0	38	0.0	-82.13	331.07	7.05	-75.08
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)C=CC=C2Cl)C(O)=C1	REAL300012061432	0	34	0.0	-69.82	318.94	6.85	-62.97
COC1=CC(OC)=C(OC)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061433	0	46	0.0	-79.80	377.61	4.60	-75.20
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061434	0	44	0.0	-82.96	383.65	8.06	-74.90
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)C(O)=C1	REAL300012061435	0	48	0.0	-80.67	402.11	9.31	-71.36
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2Br)C(O)=C1	REAL300012061436	0	34	0.0	-74.82	306.26	6.61	-68.21
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1O	REAL300012061437	0	39	0.0	-84.85	331.10	3.17	-81.68
CC1=NN(C)C(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061438	0	37	0.0	-80.44	328.43	4.71	-75.73
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC(F)(F)F)N=C2)C(O)=C1	REAL300012061439	0	37	0.0	-88.16	333.06	5.20	-82.96
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C(C)(C)C)=N1	REAL300012061440	0	46	0.0	-80.80	361.00	6.25	-74.55
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2I)C(O)=C1	REAL300012061441	0	34	0.0	-73.75	311.56	7.07	-66.68
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C=C2OC(F)F)C(O)=C1	REAL300012061442	0	42	0.0	-84.31	367.97	5.25	-79.06
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCCCC3)C([N+](=O)[O-])=C2)C(O)=C1	REAL300012061443	0	51	0.0	-95.04	413.86	9.28	-85.76
CN(CCC#N)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061444	0	46	0.0	-82.74	385.03	7.89	-74.85
O=C([O-])C1=CC=C(C[NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)C(O)=C1	REAL300012061445	0	44	0.0	-79.83	370.96	7.78	-72.05
CCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1OC	REAL300012061446	0	45	0.0	-77.67	372.33	6.30	-71.37
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OCC(N)=O	REAL300012061447	0	46	0.0	-99.99	388.17	3.19	-96.80
C#CCOC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061448	0	40	0.0	-73.35	346.57	6.87	-66.48
CCNC(=O)COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300012061449	0	52	0.0	-95.73	431.59	5.47	-90.26
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC2=C1OCO2	REAL300012061450	0	41	0.0	-91.52	346.43	3.97	-87.55
O=C([O-])C1=CC=C(C[NH2+]CC2=NN(C3=CC=CC=C3)N=C2)C(O)=C1	REAL300012061451	1	40	0.0	-85.41	345.28	5.82	-79.59
COC1=CC2=C(C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O)OC(C)C2	REAL300012061452	0	46	0.0	-75.76	376.07	5.98	-69.78
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC(OC)=C1OCC(N)=O	REAL300012061453	0	50	0.0	-99.70	421.33	2.99	-96.71
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC(Cl)=C1OCC(N)=O	REAL300012061454	0	46	0.0	-98.84	408.15	3.84	-95.00
CCN(C(C)=O)C1=NC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CS1	REAL300012061455	1	43	0.0	-82.01	369.16	5.86	-76.15
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300012061456	0	41	0.0	-81.56	340.42	6.07	-75.49
CC(C)(C)C1=NNC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061457	0	43	0.0	-80.80	338.01	4.92	-75.88
COC1=CC=CC(OC)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061458	0	42	0.0	-69.12	347.16	4.75	-64.37
COC1=CC=C(F)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061459	0	38	0.0	-77.51	324.84	5.35	-72.16
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(I)=C2)C(O)=C1	REAL300012061460	0	34	0.0	-81.39	318.62	7.12	-74.27
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(I)C=C2)C(O)=C1	REAL300012061461	0	34	0.0	-83.29	318.62	7.13	-76.16
CSC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061462	0	35	0.0	-80.32	324.36	6.35	-73.97
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C(C(F)(F)F)C=C2)C(O)=C1	REAL300012061463	0	44	0.0	-88.81	385.99	6.89	-81.92
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061464	0	47	0.0	-71.75	379.93	9.85	-61.90
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=C2OCO3)C(O)=C1	REAL300012061465	0	37	0.0	-79.24	316.86	4.68	-74.56
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061466	0	40	0.0	-92.54	351.52	3.55	-88.99
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C(O)=C1	REAL300012061467	0	44	0.0	-82.81	381.78	9.97	-72.84
COC1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061468	0	38	0.0	-76.91	325.38	5.46	-71.45
NC(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061469	0	38	0.0	-90.59	325.39	2.81	-87.78
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1F	REAL300012061470	0	38	0.0	-88.96	326.57	5.39	-83.57
COC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061471	0	38	0.0	-75.99	335.71	5.90	-70.09
COC(=O)C1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CN1C	REAL300012061472	0	41	0.0	-85.09	350.27	6.21	-78.88
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300012061473	0	37	0.0	-82.02	326.30	7.14	-74.88
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1C	REAL300012061474	0	41	0.0	-81.65	340.42	6.07	-75.58
N#CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(F)=C1	REAL300012061475	0	35	0.0	-87.12	317.24	6.44	-80.68
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C(O)=C1	REAL300012061476	0	47	0.0	-83.27	394.88	7.62	-75.65
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C=N2)C(O)=C1	REAL300012061477	0	33	0.0	-82.05	307.14	4.81	-77.24
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(N3CCOCC3)S2)C(O)=C1	REAL300012061478	0	43	0.0	-83.34	364.53	3.34	-80.00
C#CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061479	0	43	0.0	-82.39	369.48	7.58	-74.81
CC1=NN(C)C2=NC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=C12	REAL300012061480	0	42	0.0	-93.22	357.12	5.76	-87.46
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(C3CC3)=N2)C(O)=C1	REAL300012061481	0	37	0.0	-77.54	327.30	5.26	-72.28
O=C([O-])C1=CC=C(C[NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C(O)=C1	REAL300012061482	0	37	0.0	-81.48	334.54	7.05	-74.43
CCOCC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OC	REAL300012061483	0	48	0.0	-79.54	394.44	6.24	-73.30
NC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061484	0	38	0.0	-84.38	325.39	2.80	-81.58
O=C([O-])C1=CC=C(C[NH2+]CC2=NC=CN2CC(F)(F)F)C(O)=C1	REAL300012061485	0	37	0.0	-83.21	328.05	5.52	-77.69
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(C3=CC=C4OCOC4=C3)=N2)C(O)=C1	REAL300012061486	0	43	0.0	-83.95	381.74	5.49	-78.46
COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1F	REAL300012061487	0	38	0.0	-78.62	325.72	5.36	-73.26
O=C([O-])C1=CC=C(C[NH2+]CC2=C(F)C=CC=C2Br)C(O)=C1	REAL300012061488	0	34	0.0	-70.69	314.24	6.55	-64.14
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC=C2Br)C(O)=C1	REAL300012061489	0	31	0.0	-73.93	299.16	5.55	-68.38
CC(C)COC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061490	0	47	0.0	-73.16	382.45	7.82	-65.34
O=C([O-])C1=CC=C(C[NH2+]CC2=NC3=C(CCCC3)S2)C(O)=C1	REAL300012061491	0	40	0.0	-77.11	339.37	5.78	-71.33
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC(Br)=C2)C(O)=C1	REAL300012061492	0	34	0.0	-85.85	318.55	6.71	-79.14
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=NC=C3C=C2)C(O)=C1	REAL300012061493	0	39	0.0	-87.13	331.85	6.51	-80.62
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(F)=C2Br)C(O)=C1	REAL300012061494	0	34	0.0	-80.29	312.01	6.66	-73.63
COC1=CC(F)=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061495	0	38	0.0	-83.90	326.76	5.40	-78.50
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(Br)=C2F)C(O)=C1	REAL300012061496	0	34	0.0	-82.09	316.00	6.68	-75.41
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300012061497	0	44	0.0	-86.66	362.47	5.98	-80.68
CS(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061498	0	39	0.0	-91.56	343.07	4.62	-86.94
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3CCCCC3=C2)C(O)=C1	REAL300012061499	0	44	0.0	-78.52	353.54	8.52	-70.00
COC(=O)C1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CN1	REAL300012061500	0	38	0.0	-88.08	331.94	4.51	-83.57
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=C1OC	REAL300012061501	0	45	0.0	-84.47	367.00	6.01	-78.46
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(Cl)=C2Cl)C(O)=C1	REAL300012061502	0	31	0.0	-78.69	311.82	6.04	-72.65
COC1=CC(C)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061503	0	41	0.0	-73.46	340.45	6.05	-67.41
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C(F)(F)F)S2)C(O)=C1	REAL300012061504	0	33	0.0	-89.46	316.92	4.45	-85.01
CS(=O)(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061505	0	40	0.0	-90.41	351.55	3.54	-86.87
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3CCCC3)C=C2)C(O)=C1	REAL300012061506	0	47	0.0	-78.34	374.39	9.22	-69.12
CC1=CC(Cl)=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061507	0	37	0.0	-82.17	328.99	7.20	-74.97
COCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061508	0	41	0.0	-80.95	345.91	5.76	-75.19
O=C([O-])C1=CC=C(C[NH2+]CC2=NC=CN2C2=CC=CC=C2)C(O)=C1	REAL300012061509	0	41	0.0	-75.82	348.36	7.69	-68.13
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2CCCC2)C(O)=C1	REAL300012061510	0	44	0.0	-86.08	357.02	6.52	-79.56
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061511	0	44	0.0	-77.51	364.67	7.67	-69.84
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)F)C=C2)C(O)=C1	REAL300012061512	0	37	0.0	-84.42	325.01	6.96	-77.46
COC1=CC(C)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=N1	REAL300012061513	0	43	0.0	-85.45	351.69	3.78	-81.67
COC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061514	0	38	0.0	-69.26	333.05	5.80	-63.46
CCC1=CC(OC)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061515	0	44	0.0	-80.50	353.82	6.61	-73.89
CC1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)N1C1=CC=CC=C1	REAL300012061516	0	44	0.0	-78.93	369.87	8.30	-70.63
CCCN1N=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1C	REAL300012061517	0	46	0.0	-83.90	374.45	6.43	-77.47
COCCN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300012061518	0	41	0.0	-83.30	348.86	3.75	-79.55
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3CCC3)C=C2)C(O)=C1	REAL300012061519	0	44	0.0	-78.39	356.60	8.62	-69.77
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC2=CC=CC=C21	REAL300012061520	0	44	0.0	-84.42	365.32	7.64	-76.78
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300012061521	0	41	0.0	-87.60	348.42	6.33	-81.27
COC1=CC=CC2=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=CC=C12	REAL300012061522	0	44	0.0	-83.93	360.25	7.52	-76.41
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1C#N	REAL300012061523	0	39	0.0	-95.30	340.55	5.74	-89.56
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061524	0	44	0.0	-82.50	366.22	7.85	-74.65
O=C([O-])C1=CC=C(C[NH2+]CC2=NC=C(C(F)(F)F)S2)C(O)=C1	REAL300012061525	1	33	0.0	-83.64	316.20	4.35	-79.29
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C(O)=C1	REAL300012061526	0	41	0.0	-86.54	354.75	4.33	-82.21
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(Br)=C1	REAL300012061527	0	38	0.0	-75.86	336.62	5.87	-69.99
CC(C)CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300012061528	0	43	0.0	-82.06	352.07	6.29	-75.77
CC1=CC(Br)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061529	0	34	0.0	-73.19	322.40	6.47	-66.72
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061530	0	49	0.0	-83.47	400.54	8.73	-74.74
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061531	0	44	0.0	-68.03	379.92	8.71	-59.32
CN1C(=O)CCC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300012061532	0	45	0.0	-90.03	367.55	6.96	-83.07
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061533	0	49	0.0	-77.01	416.45	9.35	-67.66
CC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061534	0	41	0.0	-79.37	350.15	6.34	-73.03
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C(O)=C1	REAL300012061535	0	40	0.0	-83.68	372.60	7.57	-76.11
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)C(O)=C1	REAL300012061536	0	40	0.0	-85.27	360.38	7.29	-77.98
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061537	0	51	0.0	-75.24	416.47	9.54	-65.70
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)C(O)=C1	REAL300012061538	0	45	0.0	-75.57	389.25	8.41	-67.16
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC(OC)=C1OCC(F)F	REAL300012061539	0	49	0.0	-94.34	417.61	6.40	-87.94
CC1=NN(C(C)C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061540	0	43	0.0	-82.12	354.29	5.76	-76.36
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NC3=C(Br)C=CC=C23)C(O)=C1	REAL300012061541	0	39	0.0	-93.37	347.73	7.02	-86.35
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3CCCC3)S2)C(O)=C1	REAL300012061542	0	43	0.0	-80.36	362.76	6.67	-73.69
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)C(O)=C1	REAL300012061543	0	40	0.0	-84.14	364.03	7.28	-76.86
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3CC3)S2)C(O)=C1	REAL300012061544	0	37	0.0	-80.99	328.76	5.67	-75.32
CC(C)C1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061545	0	39	0.0	-80.48	339.81	5.35	-75.13
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CO3)S2)C(O)=C1	REAL300012061546	0	37	0.0	-85.18	338.65	5.13	-80.05
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C(Cl)=C2)C(O)=C1	REAL300012061547	0	34	0.0	-86.69	326.97	7.10	-79.59
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)C(O)=C1	REAL300012061548	0	46	0.0	-82.50	400.44	8.55	-73.95
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=C2)C=N1	REAL300012061549	0	44	0.0	-84.59	370.97	7.33	-77.26
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC(F)F)N=C2)C(O)=C1	REAL300012061550	0	37	0.0	-87.18	327.04	5.03	-82.15
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C(O)=C1	REAL300012061551	0	45	0.0	-84.92	385.95	8.95	-75.97
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2=CC=C(F)C=C2)=N1	REAL300012061552	0	44	0.0	-87.26	376.43	7.26	-80.00
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2=CC=C(C#N)C=C2)=N1	REAL300012061553	0	45	0.0	-90.79	390.97	7.58	-83.21
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)N1	REAL300012061554	0	42	0.0	-94.52	348.16	4.20	-90.32
NC(=O)C1=CSC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061555	0	35	0.0	-84.90	317.19	1.90	-83.00
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300012061556	0	48	0.0	-87.59	399.21	8.46	-79.13
CCC1=NN(C)C(CC)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061557	0	46	0.0	-83.97	375.15	6.30	-77.67
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3CCC3)S2)C(O)=C1	REAL300012061558	0	40	0.0	-80.40	345.40	6.15	-74.25
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3CCCO3)S2)C(O)=C1	REAL300012061559	0	41	0.0	-84.28	354.89	4.26	-80.02
CC1=CC=CC=C1N1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)N=N1	REAL300012061560	1	43	0.0	-86.46	359.67	6.59	-79.87
CN1N=C(Br)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061561	0	34	0.0	-89.99	313.17	4.09	-85.90
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)S2)C=N1	REAL300012061562	0	41	0.0	-83.39	364.79	6.72	-76.67
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3OCCCCOC3=C2)C(O)=C1	REAL300012061563	0	46	0.0	-85.95	369.92	6.93	-79.02
CCOC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061564	0	41	0.0	-79.56	358.31	6.98	-72.58
CCC1=CC=CC(F)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061565	0	40	0.0	-73.71	331.93	7.30	-66.41
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C(Cl)=C2Cl)C(O)=C1	REAL300012061566	0	34	0.0	-85.40	323.76	7.01	-78.39
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061567	0	45	0.0	-84.70	376.43	6.41	-78.29
O=C([O-])C1=CC=C(C[NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)C(O)=C1	REAL300012061568	0	38	0.0	-73.21	340.81	5.91	-67.30
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)C(O)=C1	REAL300012061569	0	41	0.0	-86.83	353.46	7.00	-79.83
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2=CN(C)N=C2)=C1	REAL300012061570	0	47	0.0	-74.20	388.63	7.87	-66.33
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2=CC=NN2C)=C1	REAL300012061571	0	47	0.0	-76.58	386.46	7.59	-68.99
CC(C)C1=CN=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061572	0	39	0.0	-76.88	339.41	5.38	-71.50
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)C(O)=C1	REAL300012061573	0	44	0.0	-88.35	388.39	8.24	-80.11
CC1=CC(Br)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300012061574	0	37	0.0	-76.16	341.75	7.70	-68.46
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)C(O)=C1	REAL300012061575	0	44	0.0	-78.77	390.08	8.00	-70.77
CC(C)(C)C1=CN=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061576	0	42	0.0	-76.73	357.18	5.82	-70.91
O=C([O-])C1=CC=C(C[NH2+]CC2=C(C3CC3)N=CS2)C(O)=C1	REAL300012061577	0	37	0.0	-81.25	325.64	5.45	-75.80
N#CCCN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2=CC=NC=C2)=N1	REAL300012061578	0	47	0.0	-94.31	407.57	6.81	-87.50
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)C(O)=C1	REAL300012061579	0	40	0.0	-76.83	351.33	9.71	-67.12
COC(=O)C1=C(C)N(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061580	0	44	0.0	-89.52	368.88	6.54	-82.98
COCCCN1N=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061581	0	44	0.0	-87.66	363.73	4.37	-83.29
CC1=CC(F)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(Cl)=C1	REAL300012061582	0	37	0.0	-72.41	331.00	7.19	-65.22
COCCOCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061583	0	48	0.0	-82.39	401.39	5.99	-76.40
CSCC1=CN=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061584	0	37	0.0	-78.95	342.27	5.19	-73.76
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC=C2C(F)(F)F)C(O)=C1	REAL300012061585	0	34	0.0	-73.43	310.74	6.00	-67.43
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)SC2=C(Cl)C=CC=C12	REAL300012061586	0	40	0.0	-82.34	361.50	8.55	-73.79
O=C([O-])C1=CC=C(C[NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)C(O)=C1	REAL300012061587	0	48	0.0	-85.77	414.27	8.44	-77.33
N#CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300012061588	0	35	0.0	-95.76	317.60	6.47	-89.29
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(O)=C1	REAL300012061589	0	37	0.0	-92.23	330.45	5.13	-87.10
CC1=CC(F)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(F)=C1	REAL300012061590	0	37	0.0	-72.33	322.87	6.75	-65.58
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)O1	REAL300012061591	0	44	0.0	-78.66	374.88	6.46	-72.20
CC(C)CN1N=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061592	0	43	0.0	-84.67	348.48	6.10	-78.57
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CN=C2Cl)C(O)=C1	REAL300012061593	0	33	0.0	-82.04	319.10	5.26	-76.78
COC(=O)C1=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CN1	REAL300012061594	0	41	0.0	-86.13	348.46	5.05	-81.08
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)S2)C=C1C	REAL300012061595	0	46	0.0	-82.80	394.95	8.28	-74.52
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061596	0	44	0.0	-90.09	373.72	7.99	-82.10
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061597	0	44	0.0	-87.46	381.44	8.53	-78.93
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061598	0	47	0.0	-86.02	390.67	8.51	-77.51
CC(C)(C#N)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061599	0	44	0.0	-84.02	367.46	7.98	-76.04
O=C([O-])C1=CC=C(C[NH2+]CC2=NN3CCCCC3=C2)C(O)=C1	REAL300012061600	0	41	0.0	-77.61	335.44	5.36	-72.25
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=NN2C2=CC=CC=C2)C(O)=C1	REAL300012061601	0	40	0.0	-90.04	341.17	5.67	-84.37
COC1=CC(OC)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300012061602	0	42	0.0	-80.66	354.71	4.76	-75.90
COC1=CC(F)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300012061603	0	42	0.0	-82.75	354.10	5.27	-77.48
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(Cl)=C1	REAL300012061604	0	37	0.0	-73.97	324.97	7.14	-66.83
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3F)=C2)C(O)=C1	REAL300012061605	0	48	0.0	-82.48	412.24	9.54	-72.94
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061606	0	47	0.0	-86.13	390.79	8.50	-77.63
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(F)=C1	REAL300012061607	0	38	0.0	-78.32	325.91	5.35	-72.97
COC1=CC=CC(F)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061608	0	38	0.0	-70.57	324.31	5.41	-65.16
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=C1	REAL300012061609	0	47	0.0	-80.68	378.52	7.69	-72.99
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=NC=C3S2)C(O)=C1	REAL300012061610	0	36	0.0	-86.09	322.97	5.78	-80.31
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC(Br)=CC=C3O2)C(O)=C1	REAL300012061611	0	37	0.0	-85.09	340.02	7.17	-77.92
CCC1=C2OC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CC2=CC=C1	REAL300012061612	0	43	0.0	-83.02	361.62	7.99	-75.03
C=CCCN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)N=N1	REAL300012061613	0	40	0.0	-85.09	343.38	4.69	-80.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2CC2CC2)C(O)=C1	REAL300012061614	0	41	0.0	-85.01	332.39	6.29	-78.72
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC3CC3)=C2F)C(O)=C1	REAL300012061615	0	42	0.0	-79.22	356.77	7.04	-72.18
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=C1	REAL300012061616	0	44	0.0	-80.86	357.02	6.89	-73.97
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(F)=C2OC(F)F)C(O)=C1	REAL300012061617	0	38	0.0	-83.58	335.06	5.81	-77.77
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC=C2OC(F)F)C(O)=C1	REAL300012061618	0	38	0.0	-82.54	335.14	5.74	-76.80
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3CCCC3)=C2)C(O)=C1	REAL300012061619	0	47	0.0	-78.44	375.07	9.24	-69.20
CN1C=C(C2=NN(C)C=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300012061620	0	44	0.0	-83.21	374.27	5.04	-78.17
COCC1=CSC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061621	0	38	0.0	-79.00	336.37	4.86	-74.14
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3CCC3)N=N2)C(O)=C1	REAL300012061622	0	40	0.0	-84.80	333.03	4.51	-80.29
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)C(O)=C1	REAL300012061623	0	40	0.0	-83.13	372.60	7.57	-75.56
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(C(F)(F)F)=C2)C(O)=C1	REAL300012061624	0	34	0.0	-86.07	321.45	6.17	-79.90
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)O2)C(O)=C1	REAL300012061625	0	34	0.0	-86.06	312.77	5.40	-80.66
O=C([O-])C1=CC=C(C[NH2+]CC2=C(C(F)(F)F)SC=C2)C(O)=C1	REAL300012061626	0	34	0.0	-77.36	312.50	6.16	-71.20
CN(C)C1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=CC(F)=C1F	REAL300012061627	0	42	0.0	-83.79	350.50	6.10	-77.69
O=C([O-])C1=CC=C(C[NH2+]CC2=C(F)C=CC(F)=C2Cl)C(O)=C1	REAL300012061628	0	34	0.0	-74.76	316.05	6.51	-68.25
CC(C)OC1=CC(Cl)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300012061629	0	44	0.0	-79.15	388.00	7.90	-71.25
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3CCOC3)C=C2)C(O)=C1	REAL300012061630	0	46	0.0	-83.68	376.20	5.67	-78.01
CN(C)C1=CC(F)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300012061631	0	42	0.0	-81.98	356.22	5.61	-76.37
COC(=O)C1=C2CCCCN2C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061632	0	48	0.0	-89.92	392.54	7.76	-82.16
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C(F)=C2F)C(O)=C1	REAL300012061633	0	34	0.0	-89.52	307.99	6.20	-83.32
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC(C(F)(F)F)=C1	REAL300012061634	0	41	0.0	-85.26	359.08	6.32	-78.94
C=CCOC1=C(Cl)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300012061635	0	46	0.0	-89.63	404.32	7.39	-82.24
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC1CC1	REAL300012061636	0	46	0.0	-87.37	380.64	6.90	-80.47
CN1N=C(C(F)(F)F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061637	0	37	0.0	-92.92	332.83	4.58	-88.34
COCC(C)OC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061638	0	48	0.0	-83.85	392.43	6.24	-77.61
CCCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061639	0	40	0.0	-77.17	345.93	7.49	-69.68
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=C(F)C=C2F)C(O)=C1	REAL300012061640	0	48	0.0	-82.32	410.88	9.62	-72.70
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(O)=C1	REAL300012061641	0	41	0.0	-82.45	358.21	8.65	-73.80
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2CCC2=CC=CC=C2)C(O)=C1	REAL300012061642	0	47	0.0	-89.22	394.77	8.30	-80.92
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)C(O)=C1	REAL300012061643	0	41	0.0	-82.80	369.02	6.99	-75.81
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1C(C)(C)C	REAL300012061644	0	50	0.0	-80.68	391.52	8.01	-72.67
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(CC3CCC3)=C2)C(O)=C1	REAL300012061645	0	47	0.0	-78.64	381.90	9.54	-69.10
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061646	0	42	0.0	-71.75	363.67	5.24	-66.51
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=NC=C1Br	REAL300012061647	0	36	0.0	-81.67	325.65	5.39	-76.28
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C(Br)C=C1F	REAL300012061648	0	37	0.0	-80.12	333.00	7.31	-72.81
O=C([O-])C1=CC=C(C[NH2+]CC2=C(O)C=CC=C2Br)C(O)=C1	REAL300012061649	0	35	0.0	-72.59	318.61	3.73	-68.86
CN1C=C(C2=NC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CS2)C=N1	REAL300012061650	0	40	0.0	-82.64	360.36	4.61	-78.03
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1Cl	REAL300012061651	0	38	0.0	-86.89	336.38	5.88	-81.01
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2CC2CCC2)C(O)=C1	REAL300012061652	0	44	0.0	-85.78	361.53	6.58	-79.20
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)C(O)=C1	REAL300012061653	1	40	0.0	-89.21	350.16	5.93	-83.28
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2CC(F)(F)F)C(O)=C1	REAL300012061654	0	40	0.0	-77.53	340.02	7.60	-69.93
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(Br)=N1	REAL300012061655	0	34	0.0	-82.15	314.32	4.32	-77.83
CC(=O)NC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061656	0	41	0.0	-89.17	346.67	4.94	-84.23
CN1N=CC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CN=C21	REAL300012061657	0	39	0.0	-91.97	335.15	5.16	-86.81
O=C([O-])C1=CC=C(C[NH2+]CC2=NC=C(Br)C=C2F)C(O)=C1	REAL300012061658	0	33	0.0	-76.58	312.50	4.82	-71.76
COC1=CC(Cl)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC	REAL300012061659	0	42	0.0	-81.04	361.42	5.70	-75.34
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C(O)=C1	REAL300012061660	0	40	0.0	-81.41	351.83	7.81	-73.60
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061661	0	54	0.0	-84.72	438.75	6.48	-78.24
CN1N=C2CCCCC2=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061662	0	44	0.0	-86.63	355.04	6.02	-80.61
CCOC(=O)C1=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C(C)N1	REAL300012061663	0	47	0.0	-86.61	390.61	6.47	-80.14
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(Cl)C(F)=C2)C(O)=C1	REAL300012061664	0	33	0.0	-93.05	308.44	4.72	-88.33
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C(O)=C1	REAL300012061665	0	44	0.0	-84.99	383.86	10.00	-74.99
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C(F)=C2F)C(O)=C1	REAL300012061666	0	34	0.0	-87.96	322.29	6.75	-81.21
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Br)SC=C2)C(O)=C1	REAL300012061667	0	31	0.0	-75.98	298.80	5.69	-70.29
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C(F)C=C1OC	REAL300012061668	0	45	0.0	-82.80	375.95	6.18	-76.62
COC1=NC=C(Br)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061669	0	37	0.0	-78.78	337.90	3.41	-75.37
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)C(O)=C1	REAL300012061670	0	40	0.0	-87.53	337.37	8.20	-79.33
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CN=C2Br)C(O)=C1	REAL300012061671	0	33	0.0	-80.96	301.36	4.72	-76.24
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C(F)C=C1Br	REAL300012061672	0	38	0.0	-84.34	345.24	6.03	-78.31
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(Br)=C2Cl)C(O)=C1	REAL300012061673	0	34	0.0	-80.10	322.12	7.06	-73.04
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)C(O)=C1	REAL300012061674	0	38	0.0	-80.79	342.15	6.01	-74.78
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061675	0	44	0.0	-75.99	365.17	7.01	-68.98
CCOC1=CC(F)=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061676	0	41	0.0	-83.64	348.62	6.32	-77.32
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)C(O)=C1	REAL300012061677	0	48	0.0	-92.06	386.85	7.04	-85.02
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C=C2F)C(O)=C1	REAL300012061678	0	38	0.0	-81.73	335.66	5.63	-76.10
CC(C)(C)OC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061679	0	47	0.0	-79.02	371.25	7.17	-71.85
CC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061680	0	37	0.0	-81.69	320.36	7.02	-74.67
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C(F)C=C1C	REAL300012061681	0	41	0.0	-79.31	344.95	6.11	-73.20
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=C1Br	REAL300012061682	0	40	0.0	-81.04	341.94	7.75	-73.29
CC1=CC=NC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1Br	REAL300012061683	0	36	0.0	-71.37	322.49	5.28	-66.09
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061684	0	51	0.0	-83.87	412.91	6.27	-77.60
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2=CC(F)=CC=C2F)=N1	REAL300012061685	0	44	0.0	-83.68	383.11	7.35	-76.33
CC(C)(C)C1=CSC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=N1	REAL300012061686	0	42	0.0	-77.35	356.42	5.75	-71.60
COCCC1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061687	0	40	0.0	-83.15	352.71	3.82	-79.33
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC(F)=C2O)C(O)=C1	REAL300012061690	1	35	0.0	-85.95	312.54	3.43	-82.52
CN1N=C2CCSCC2=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061691	0	42	0.0	-90.07	354.41	5.67	-84.40
CCN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2=CC=CC=C2)=N1	REAL300012061692	0	47	0.0	-82.03	391.68	8.05	-73.98
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=C2CCOC3)C(O)=C1	REAL300012061693	0	42	0.0	-81.66	337.68	6.00	-75.66
COCC1=C(C)C=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1C	REAL300012061694	0	50	0.0	-79.20	392.37	7.25	-71.95
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3OC(=O)OC3=C2)C(O)=C1	REAL300012061695	0	36	0.0	-97.53	318.61	6.58	-90.95
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061696	0	48	0.0	-74.02	414.33	10.06	-63.96
CC1=C(Br)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061697	0	34	0.0	-79.80	323.43	6.53	-73.27
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C(O)=C1	REAL300012061698	0	44	0.0	-83.68	381.79	9.96	-73.72
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=NC=CC=C23)C(O)=C1	REAL300012061699	0	39	0.0	-88.18	326.96	6.28	-81.90
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300012061700	0	47	0.0	-81.29	383.77	7.80	-73.49
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=NC=CN=C3C=C2)C(O)=C1	REAL300012061701	0	38	0.0	-89.01	326.89	4.45	-84.56
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1COC1=CC=CC=C1	REAL300012061702	0	52	0.0	-81.51	428.79	8.76	-72.75
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1CN1C=CC=N1	REAL300012061703	0	48	0.0	-87.71	402.94	7.02	-80.69
CCOC1=CC=CC(F)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061704	0	41	0.0	-70.06	346.16	6.34	-63.72
CC1=CC=C(Br)C(F)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061705	0	37	0.0	-80.12	332.92	7.22	-72.90
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=CC=C1[N+](=O)[O-]	REAL300012061706	0	39	0.0	-92.55	331.14	7.29	-85.26
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061707	0	42	0.0	-91.51	347.51	7.57	-83.94
COC1=CC=C(CN2C=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)N=N2)C=C1	REAL300012061708	0	47	0.0	-89.74	398.50	5.68	-84.06
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(F)=C1OC	REAL300012061709	0	42	0.0	-83.02	358.90	5.37	-77.65
COC(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(F)=C1	REAL300012061710	0	40	0.0	-84.89	351.19	6.72	-78.17
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)C(O)=C1	REAL300012061711	0	44	0.0	-82.43	377.49	6.41	-76.02
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)C(O)=C1	REAL300012061712	0	48	0.0	-81.74	402.12	9.30	-72.44
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC(F)F)C(O)=C1	REAL300012061713	0	41	0.0	-73.58	353.80	6.65	-66.93
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061714	0	52	0.0	-72.33	428.26	9.38	-62.95
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061715	0	50	0.0	-85.32	405.59	9.08	-76.24
CC1=CC(C#N)=CC(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061716	0	41	0.0	-88.58	345.63	7.43	-81.15
CC(C)(C)C1=COC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=N1	REAL300012061717	1	42	0.0	-80.15	348.41	3.40	-76.75
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)C(O)=C1	REAL300012061718	0	40	0.0	-80.65	372.42	7.34	-73.31
COC1=CC=C(C2=NC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CS2)C=C1	REAL300012061719	0	44	0.0	-80.83	385.13	6.12	-74.71
CC1=C2C=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=NC2=NN1	REAL300012061721	0	39	0.0	-96.53	333.91	4.55	-91.98
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061722	0	42	0.0	-93.12	364.43	2.74	-90.38
CN1N=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C2=CC=CC=C21	REAL300012061723	0	40	0.0	-82.30	340.80	5.95	-76.35
CN1C(Cl)=NC(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061724	0	34	0.0	-87.67	323.38	5.29	-82.38
O=C([O-])C1=CC=C(C[NH2+]CC2=NC=CC3=CC=CC=C32)C(O)=C1	REAL300012061725	0	39	0.0	-79.54	328.58	6.32	-73.22
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)N2C=CC=CC2=N1	REAL300012061726	0	40	0.0	-88.48	338.23	7.02	-81.46
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061727	0	54	0.0	-77.40	412.64	8.13	-69.27
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C(O)=C1	REAL300012061728	0	40	0.0	-88.58	347.03	4.27	-84.31
CC1=NN2C(=NC(C)=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061729	0	39	0.0	-82.29	346.08	5.23	-77.06
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061730	0	45	0.0	-82.20	387.17	6.50	-75.70
CCCC(C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O)C1=CC=CC=C1	REAL300012061731	0	46	0.0	-76.65	367.88	8.64	-68.01
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C(O)=C1	REAL300012061732	0	39	0.0	-69.01	344.60	6.96	-62.05
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)S2)C(O)=C1	REAL300012061733	0	34	0.0	-85.44	321.70	6.34	-79.10
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(OCC2=CC=CN=C2)=C1	REAL300012061734	0	51	0.0	-78.55	425.07	6.89	-71.66
O=C([O-])C1=CC=C(C[NH2+]CC2=NC3=CC=C(Br)C=C3S2)C(O)=C1	REAL300012061735	0	36	0.0	-81.70	343.81	6.09	-75.61
CN(C)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C(F)(F)F)=C1	REAL300012061736	0	45	0.0	-75.77	370.47	7.51	-68.26
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061737	0	44	0.0	-79.48	372.58	8.65	-70.83
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061738	0	43	0.0	-84.57	381.49	7.71	-76.86
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C(O)=C1	REAL300012061739	0	53	0.0	-82.17	427.93	9.53	-72.64
CC(C)C1CCC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)CC1	REAL300012061740	0	49	0.0	-76.25	360.73	7.83	-68.42
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)C(O)=C1	REAL300012061741	0	37	0.0	-89.99	350.75	7.37	-82.62
O=C([O-])C1=CC=C(C[NH2+]CC2=CN3C=CC(Br)=CC3=N2)C(O)=C1	REAL300012061742	0	37	0.0	-83.47	339.14	7.16	-76.31
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061743	0	45	0.0	-82.46	377.49	7.43	-75.03
COCC1=CC=CC=C1C=C(C)C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061744	0	48	0.0	-82.63	389.35	7.63	-75.00
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061745	0	44	0.0	-76.51	365.26	6.92	-69.59
O=C([O-])C1=CC=C(C[NH2+]CC2=CON=C2CC2=CC=CC=C2)C(O)=C1	REAL300012061746	0	43	0.0	-91.24	366.25	7.77	-83.47
COC1=CC=C(N2C=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=N2)C=C1	REAL300012061747	0	45	0.0	-87.27	379.16	6.54	-80.73
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061748	0	49	0.0	-78.80	410.83	9.39	-69.41
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C(O)=C1	REAL300012061749	0	36	0.0	-88.99	330.26	4.00	-84.99
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NC=C2Br)C(O)=C1	REAL300012061750	0	33	0.0	-78.96	302.53	4.80	-74.16
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061751	0	37	0.0	-91.81	343.94	2.72	-89.09
O=C([O-])C1=CC=C(C[NH2+]CC2=C(C3=CC=CC=C3)N(C3CCCC3)N=C2)C(O)=C1	REAL300012061752	0	54	0.0	-77.77	434.09	9.98	-67.79
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2=CC=CC=N2)C(O)=C1	REAL300012061753	0	40	0.0	-78.98	343.03	6.72	-72.26
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(F)=C1	REAL300012061754	0	39	0.0	-90.20	350.61	1.02	-89.18
CC1=C(Br)C=NC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061756	0	36	0.0	-85.69	320.07	5.33	-80.36
CN1N=CC(C(F)(F)F)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061757	0	37	0.0	-85.56	327.63	4.60	-80.96
CN1N=CC(C2CC2)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061758	0	41	0.0	-86.42	341.58	5.67	-80.75
CN1N=CC(C2CCC2)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061759	0	44	0.0	-86.71	357.95	6.18	-80.53
CC1=C2C=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)NC2=CC=C1	REAL300012061760	0	41	0.0	-84.74	343.68	6.61	-78.13
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2=CC=NC=C2)C(O)=C1	REAL300012061761	0	40	0.0	-87.24	342.08	5.17	-82.07
CC1=CC=C2C=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)NC2=C1	REAL300012061762	0	41	0.0	-84.24	344.11	6.63	-77.61
CCOC1=CN=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061763	0	40	0.0	-84.28	337.13	4.43	-79.85
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2CCOCC2)C(O)=C1	REAL300012061764	0	45	0.0	-89.30	366.50	4.65	-84.65
CCC(F)(F)C(C)(C)C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061765	0	42	0.0	-73.99	330.35	6.41	-67.58
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=C(C=CNC3=O)O2)C(O)=C1	REAL300012061766	0	37	0.0	-90.16	323.46	3.51	-86.65
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)F)N=C2)C(O)=C1	REAL300012061767	0	36	0.0	-88.44	318.87	5.15	-83.29
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061768	0	43	0.0	-81.48	363.99	6.45	-75.03
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3CCOC3)N=N2)C(O)=C1	REAL300012061769	0	44	0.0	-88.39	364.98	3.43	-84.96
COC1=CN=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1C	REAL300012061770	0	40	0.0	-84.39	330.09	4.14	-80.25
CC1=CC(C)=C(C=CC[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=C1	REAL300012061771	0	47	0.0	-81.12	380.87	9.16	-71.96
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)C(O)=C1	REAL300012061772	0	54	0.0	-83.21	430.87	4.89	-78.32
CC(C)(C)OC(=O)NC(C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O)CC(F)F	REAL300012061773	0	50	0.0	-90.58	397.43	4.83	-85.75
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3CCCO3)N=N2)C(O)=C1	REAL300012061774	0	44	0.0	-85.34	365.85	3.62	-81.72
CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061775	0	42	0.0	-75.86	349.73	6.11	-69.75
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C(O)=C1	REAL300012061776	0	39	0.0	-92.73	338.26	6.47	-86.26
CC1=CC(C)=C(C=CC[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300012061777	0	47	0.0	-79.98	378.47	9.07	-70.91
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061778	0	39	0.0	-93.68	345.02	0.99	-92.69
O=C([O-])C1=CC=C(C[NH2+]CC2=NC=CC3=C2CCCC3)C(O)=C1	REAL300012061779	0	43	0.0	-77.80	343.80	6.53	-71.27
CC1=NN(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1Cl	REAL300012061780	0	37	0.0	-84.66	329.92	4.69	-79.97
CN1C=CC(C2=NC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CS2)=N1	REAL300012061781	0	40	0.0	-84.14	360.46	4.50	-79.64
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2CCCC2)=N1	REAL300012061782	0	47	0.0	-83.69	379.16	6.93	-76.76
CC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1Br	REAL300012061783	0	37	0.0	-73.21	325.33	7.15	-66.06
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C(O)=C1	REAL300012061784	0	45	0.0	-83.13	385.97	8.95	-74.18
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3OCCCC3=C2)C(O)=C1	REAL300012061785	0	42	0.0	-81.98	344.55	6.66	-75.32
CN(C)C(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061786	0	44	0.0	-85.53	363.41	5.85	-79.68
CCC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(Cl)=NN1	REAL300012061787	0	37	0.0	-82.35	328.38	4.20	-78.15
O=C([O-])C1=CC=C(C[NH2+]CC2=C(C3CC3)NN=C2Cl)C(O)=C1	REAL300012061788	0	38	0.0	-80.44	337.21	4.98	-75.46
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C2CCCCC2=N1	REAL300012061789	0	46	0.0	-85.79	363.43	7.22	-78.57
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2N2CCCCC2)C(O)=C1	REAL300012061790	0	49	0.0	-73.32	384.79	8.07	-65.25
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC(C(F)(F)F)=N2)C(O)=C1	REAL300012061791	1	33	0.0	-84.83	316.50	4.14	-80.69
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)F)C(F)=C2)C(O)=C1	REAL300012061792	0	37	0.0	-90.23	330.27	7.00	-83.23
COC(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1C	REAL300012061793	0	43	0.0	-88.63	361.68	7.22	-81.41
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=C1	REAL300012061794	0	41	0.0	-81.51	335.78	5.88	-75.63
CC1=C(Cl)C=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1Cl	REAL300012061795	0	37	0.0	-78.09	336.34	7.49	-70.60
N#CC1=CC=C(Br)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061796	0	35	0.0	-82.68	327.06	6.99	-75.69
CC1CC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CC=C2O1	REAL300012061797	0	42	0.0	-83.11	347.73	6.63	-76.48
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=C2OC(=O)N3)C(O)=C1	REAL300012061798	0	37	0.0	-84.73	322.60	3.52	-81.21
CSCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061799	0	41	0.0	-80.51	356.97	7.92	-72.59
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3CCC3)N=C2)C(O)=C1	REAL300012061800	0	44	0.0	-81.87	363.08	6.78	-75.09
CN1N=C2CCOCC2=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061801	0	42	0.0	-89.53	346.14	3.63	-85.90
CN1N=C2CCCC2=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061802	0	41	0.0	-86.54	337.59	5.50	-81.04
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2CCC2)C(O)=C1	REAL300012061803	0	41	0.0	-85.99	339.63	5.82	-80.17
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3CCC3)N=C2)C(O)=C1	REAL300012061804	0	41	0.0	-82.44	339.01	5.81	-76.63
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061805	0	47	0.0	-72.23	393.24	7.59	-64.64
COC(=O)COC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061806	0	44	0.0	-73.63	375.35	6.99	-66.64
COC1=CC=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061807	0	41	0.0	-79.17	335.16	5.95	-73.22
CN1C=NC2=CC=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=C21	REAL300012061808	0	40	0.0	-87.68	329.25	7.29	-80.39
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061809	0	44	0.0	-91.74	361.55	5.89	-85.85
CCNC(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061810	0	44	0.0	-90.40	368.81	5.15	-85.25
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061811	0	46	0.0	-72.15	344.23	8.22	-63.93
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C3CCCCCN23)C(O)=C1	REAL300012061812	0	44	0.0	-83.85	346.92	6.43	-77.42
COC1=CC=C2SC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CC2=C1	REAL300012061813	0	41	0.0	-82.67	357.78	6.86	-75.81
CCN(CC)C(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061814	0	50	0.0	-91.14	403.10	7.80	-83.34
CCN1CCC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300012061815	0	46	0.0	-80.61	363.29	6.16	-74.45
CCN(C)C(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061816	0	47	0.0	-91.68	383.71	6.89	-84.79
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=NN1C(C)C	REAL300012061817	0	43	0.0	-81.52	353.80	5.80	-75.72
CSC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1Cl	REAL300012061818	0	38	0.0	-85.19	346.07	7.50	-77.69
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1C1CC1	REAL300012061819	0	44	0.0	-78.83	357.87	8.65	-70.18
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=N1	REAL300012061820	0	40	0.0	-85.32	339.79	3.67	-81.65
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1C1CC1	REAL300012061821	0	44	0.0	-78.92	357.29	8.66	-70.26
CC1=NN(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C(C)=C2)C=C1	REAL300012061822	0	47	0.0	-88.34	386.62	8.35	-79.99
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C(O)=C1	REAL300012061823	0	40	0.0	-86.40	362.04	7.91	-78.49
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061824	0	44	0.0	-86.86	381.22	8.35	-78.51
CCC1=CC(Br)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061825	0	37	0.0	-73.26	343.88	7.25	-66.01
CC1=NN(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=C2)C=C1Cl	REAL300012061826	0	44	0.0	-87.95	387.76	8.31	-79.64
COC(=O)C1=CC2=C(C=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)O2)N1	REAL300012061827	0	41	0.0	-90.68	359.43	4.82	-85.86
COCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)O1	REAL300012061828	0	42	0.0	-83.95	360.08	4.78	-79.17
CC(C)(C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O)C1=CC=C(Br)C=C1	REAL300012061829	0	43	0.0	-80.92	360.21	8.37	-72.55
CC1=NN(C(C)C)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061830	0	46	0.0	-83.41	373.73	6.38	-77.03
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC(Br)=C2)C(O)=C1	REAL300012061831	0	34	0.0	-84.85	328.87	7.15	-77.70
CC1=CC=C(C2=CC=CC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=C1	REAL300012061832	0	50	0.0	-71.49	401.38	10.54	-60.95
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2CC2)=N1	REAL300012061833	0	41	0.0	-83.34	345.72	6.01	-77.33
COC1=CC=CC(C2=CSC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=N2)=C1	REAL300012061834	0	44	0.0	-82.23	383.42	6.10	-76.13
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061835	0	54	0.0	-85.23	438.74	6.49	-78.74
COC(=O)C1=C2COCCN2C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061836	0	46	0.0	-91.68	384.25	5.39	-86.29
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)C(O)=C1	REAL300012061837	0	51	0.0	-92.25	406.39	7.98	-84.27
CN1N=C(C2CC2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061838	0	41	0.0	-87.12	343.17	5.68	-81.44
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061839	0	44	0.0	-88.41	362.18	8.95	-79.46
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(Cl)=C2Cl)C(O)=C1	REAL300012061840	0	37	0.0	-87.73	353.07	7.86	-79.87
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)C(O)=C1	REAL300012061841	0	38	0.0	-77.54	347.11	4.95	-72.59
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3CCOCC3)O2)C(O)=C1	REAL300012061842	0	44	0.0	-84.94	363.12	2.49	-82.45
COC1=NC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1F	REAL300012061843	0	37	0.0	-84.01	323.52	2.78	-81.23
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)C=CC=C2Br)C(O)=C1	REAL300012061844	0	34	0.0	-69.30	322.98	6.93	-62.37
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C(Br)=C2F)C(O)=C1	REAL300012061845	0	34	0.0	-87.66	321.71	6.72	-80.94
O=C([O-])C1=CC=C(C[NH2+]CC2=CN3C=CN=C3S2)C(O)=C1	REAL300012061846	0	34	0.0	-93.64	308.23	5.99	-87.65
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C(C(C)(C)C)O1	REAL300012061847	0	46	0.0	-78.71	374.79	7.59	-71.12
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)C(O)=C1	REAL300012061848	0	43	0.0	-87.33	369.00	6.38	-80.95
CC(C)(C)OC(=O)N1CCC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)CC1	REAL300012061849	0	54	0.0	-85.34	414.56	7.06	-78.28
CC1=CC(Br)=CN=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061850	0	36	0.0	-80.68	323.40	5.37	-75.31
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)C(O)=C1	REAL300012061851	0	40	0.0	-88.22	364.72	3.95	-84.27
CC1OC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=C2C1C	REAL300012061852	0	45	0.0	-83.52	364.24	7.13	-76.39
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OC(F)F	REAL300012061853	0	41	0.0	-80.23	350.18	6.35	-73.88
CC1=NC(Cl)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1Br	REAL300012061854	0	36	0.0	-81.71	337.52	5.79	-75.92
CC(C)CC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061855	0	46	0.0	-76.91	360.50	8.44	-68.47
CN1N=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1S(C)(=O)=O	REAL300012061856	1	40	0.0	-82.75	343.26	1.37	-81.38
CCOC1=CC(Br)=CC(F)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061857	0	41	0.0	-73.43	367.45	6.96	-66.47
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)NN=C1C(F)(F)F	REAL300012061858	0	37	0.0	-92.51	330.58	3.95	-88.56
CC(C)CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)N=N1	REAL300012061859	0	42	0.0	-84.98	346.27	4.78	-80.20
O=C([O-])C1=CC=C(C[NH2+]CC2=NC(C3CC3)=CS2)C(O)=C1	REAL300012061860	0	37	0.0	-78.01	326.48	5.24	-72.77
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C(F)(F)F)=NN2)C(O)=C1	REAL300012061861	0	34	0.0	-92.50	312.11	3.39	-89.11
CS(=O)(=O)C1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=CS1	REAL300012061862	1	37	0.0	-79.82	330.47	2.94	-76.88
CSC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061863	0	38	0.0	-79.92	331.06	7.04	-72.88
CC(C)C1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)N(C)N=C1	REAL300012061864	0	43	0.0	-86.11	352.99	5.52	-80.59
CC1=C(Br)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C(C)S1	REAL300012061865	0	37	0.0	-76.09	339.13	7.04	-69.05
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2=CC=CC(F)=C2)=N1	REAL300012061866	0	44	0.0	-81.97	376.44	7.26	-74.71
CCCN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=N1	REAL300012061867	0	43	0.0	-82.40	356.34	6.05	-76.35
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(CC3CC3)S2)C(O)=C1	REAL300012061868	0	41	0.0	-77.40	356.04	8.28	-69.12
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3CC3)C=C2)C(O)=C1	REAL300012061869	0	42	0.0	-82.56	351.39	7.00	-75.56
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C(O)=C1	REAL300012061870	0	38	0.0	-82.08	342.40	5.84	-76.24
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C(O)=C1	REAL300012061871	0	40	0.0	-84.15	362.04	7.91	-76.24
CC1=NC=CN1C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=C1	REAL300012061872	0	47	0.0	-89.77	386.04	9.04	-80.73
CC1=C(C)N(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=C2)C=N1	REAL300012061873	0	47	0.0	-90.55	388.58	9.64	-80.91
CNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061874	0	41	0.0	-84.39	347.33	4.30	-80.09
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C(O)=C1	REAL300012061875	0	48	0.0	-79.57	385.80	10.06	-69.51
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061877	0	44	0.0	-84.09	368.81	5.14	-78.95
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)OC2=CC=C(F)C=C12	REAL300012061878	0	40	0.0	-85.38	345.55	7.25	-78.13
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C3CCC3)=NN2)C(O)=C1	REAL300012061879	0	41	0.0	-86.07	337.96	4.94	-81.13
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061880	0	44	0.0	-89.63	370.95	7.18	-82.45
CC(C)(C)C1=CN=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061881	0	45	0.0	-82.97	362.25	6.53	-76.44
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=C(Br)C=CC=C3S2)C(O)=C1	REAL300012061882	0	37	0.0	-80.43	348.67	8.14	-72.29
O=C([O-])C1=CC=C(C[NH2+]CC2=NN(CC(F)(F)F)C=C2)C(O)=C1	REAL300012061883	0	37	0.0	-81.88	333.13	5.10	-76.78
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)C(O)=C1	REAL300012061884	0	44	0.0	-80.36	363.65	8.07	-72.29
CN1C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=NC2=C1CCCC2	REAL300012061885	0	44	0.0	-80.97	353.56	6.70	-74.27
COC1=NC(Cl)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061886	0	37	0.0	-82.21	333.43	3.23	-78.98
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C(F)(F)F)=N1	REAL300012061887	0	37	0.0	-81.50	329.31	4.87	-76.63
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C(F)F)=C2F)C(O)=C1	REAL300012061888	0	37	0.0	-80.72	326.67	6.90	-73.82
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=C2COCC3)C(O)=C1	REAL300012061889	0	42	0.0	-80.69	337.63	6.02	-74.67
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061890	0	41	0.0	-75.32	357.57	6.84	-68.48
O=C([O-])C1=CC=C(C[NH2+]CC2=NC3=C(COCC3)S2)C(O)=C1	REAL300012061891	0	38	0.0	-80.05	330.26	3.36	-76.69
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C(O)=C1	REAL300012061892	0	41	0.0	-88.47	353.28	5.96	-82.51
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=C(CCCC3)O2)C(O)=C1	REAL300012061893	0	41	0.0	-78.94	335.12	6.86	-72.08
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C(O)=C1	REAL300012061894	0	36	0.0	-95.97	325.47	6.77	-89.20
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3CCCCC3)N=C2)C(O)=C1	REAL300012061895	0	47	0.0	-81.25	375.50	7.07	-74.18
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)C(O)=C1	REAL300012061896	0	41	0.0	-81.20	364.71	7.51	-73.69
O=C([O-])C1=CC=C(C[NH2+]CC2=C(F)C=C(Br)C=C2F)C(O)=C1	REAL300012061897	0	34	0.0	-75.84	322.76	6.70	-69.14
CN(CCO)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300012061898	0	45	0.0	-83.17	370.42	3.60	-79.57
COC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=CC=C1C(C)(C)C	REAL300012061899	0	50	0.0	-75.50	384.23	7.76	-67.74
CN1C=C(Br)N=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061900	0	34	0.0	-84.93	312.20	4.89	-80.04
COC1=CC(C)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300012061901	0	40	0.0	-85.09	333.16	3.34	-81.75
COC1=CC(C)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1O	REAL300012061902	0	42	0.0	-83.61	345.85	3.79	-79.82
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C(O)=C1	REAL300012061903	0	40	0.0	-85.87	347.60	5.15	-80.72
CN1C(=O)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC2=CC=CC=C21	REAL300012061904	0	43	0.0	-81.70	358.19	6.82	-74.88
COC1=NC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1C	REAL300012061905	0	40	0.0	-81.05	338.13	3.42	-77.63
CC1=CC(C)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=C1Br	REAL300012061906	0	43	0.0	-81.11	361.15	8.14	-72.97
O=C([O-])C1=CC=C(C[NH2+]CC=CC2=CC=C3OCOC3=C2)C(O)=C1	REAL300012061907	0	41	0.0	-86.08	347.95	5.98	-80.10
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(CC3CCC3)C=C2)C(O)=C1	REAL300012061908	0	47	0.0	-78.02	381.92	9.55	-68.47
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061909	0	44	0.0	-87.23	387.04	6.80	-80.43
CCC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=NN1CC	REAL300012061910	0	43	0.0	-79.85	350.27	5.95	-73.90
O=C([O-])C1=CC=C(C[NH2+]CC2=C(F)C=CC(Cl)=C2F)C(O)=C1	REAL300012061911	0	34	0.0	-75.68	317.64	6.57	-69.11
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061912	0	51	0.0	-86.65	412.66	6.28	-80.37
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2CC2(F)F)C(O)=C1	REAL300012061913	0	38	0.0	-92.39	334.55	5.58	-86.81
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C(F)(F)F)=CO1	REAL300012061914	0	37	0.0	-79.06	329.63	5.86	-73.20
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061915	0	40	0.0	-82.86	344.06	7.55	-75.31
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C(O)=C1	REAL300012061916	0	40	0.0	-86.30	353.78	6.81	-79.49
CN1C=C(C2=NNC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=N1	REAL300012061917	0	41	0.0	-81.83	351.13	3.73	-78.10
CCCN1N=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1Cl	REAL300012061918	0	43	0.0	-79.89	371.73	6.34	-73.55
CC(C)(C#N)C1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)S1	REAL300012061919	0	40	0.0	-84.41	357.52	5.37	-79.04
COC1=CC=C(Br)C(F)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061920	0	38	0.0	-74.45	344.90	6.02	-68.43
N#CC1=CC(F)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(Br)=C1	REAL300012061921	0	35	0.0	-79.60	335.03	6.93	-72.67
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC(F)=C2F)C(O)=C1	REAL300012061922	0	34	0.0	-83.29	309.12	6.19	-77.10
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C(O)=C1	REAL300012061923	0	41	0.0	-81.59	356.41	8.45	-73.14
CC(C)(C)C1=NNC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061924	0	43	0.0	-85.67	352.83	4.87	-80.80
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C(O)=C1	REAL300012061925	0	40	0.0	-84.63	348.52	8.67	-75.96
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C(Br)=C2F)C(O)=C1	REAL300012061926	0	34	0.0	-86.42	330.83	7.14	-79.28
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OC2CCCCC2)C(O)=C1	REAL300012061927	0	51	0.0	-72.86	400.40	8.87	-63.99
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C(O)=C1	REAL300012061928	0	45	0.0	-84.47	396.26	9.40	-75.07
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C(O)=C1	REAL300012061929	0	54	0.0	-81.26	421.03	9.54	-71.72
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=C(Cl)C=C2)C(O)=C1	REAL300012061930	0	48	0.0	-74.53	417.49	9.90	-64.63
COC1=CC=CC(OC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=C2)=C1	REAL300012061931	0	49	0.0	-87.36	409.05	8.19	-79.17
CCN1CCCC2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=CC=C21	REAL300012061932	0	49	0.0	-79.49	380.07	7.17	-72.32
COCC1=CN=C(OC)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061933	0	44	0.0	-79.56	370.73	2.56	-77.00
CN1N=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1Br	REAL300012061934	0	34	0.0	-77.94	313.61	4.25	-73.69
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012061935	0	49	0.0	-84.46	410.14	8.81	-75.65
COC1=C(Br)C=CC(F)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061936	0	38	0.0	-74.95	346.00	6.09	-68.86
COCC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061937	0	41	0.0	-81.06	337.27	5.88	-75.18
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)C(O)=C1	REAL300012061938	0	47	0.0	-85.60	399.96	10.71	-74.89
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C(O)=C1	REAL300012061939	0	38	0.0	-84.88	347.25	7.48	-77.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=C(Cl)C=C3)=C2)C(O)=C1	REAL300012061940	0	48	0.0	-81.07	418.85	9.83	-71.24
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)C(O)=C1	REAL300012061941	0	47	0.0	-84.26	384.05	6.70	-77.56
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3CCOCC3=C2)C(O)=C1	REAL300012061942	0	42	0.0	-81.48	344.48	6.10	-75.38
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)SC2=CC(F)=CC=C12	REAL300012061943	0	40	0.0	-83.22	351.38	8.16	-75.06
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C(O)=C1	REAL300012061944	0	40	0.0	-92.15	345.46	4.20	-87.95
COC1=CC=C(F)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1OC	REAL300012061945	0	42	0.0	-73.94	356.25	5.35	-68.59
CN1C=CC(C2=NNC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=N1	REAL300012061946	0	41	0.0	-76.33	351.14	4.09	-72.24
CC1=CC=C(F)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1Br	REAL300012061947	0	37	0.0	-70.52	332.44	7.12	-63.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCCC2CCCCC2)C(O)=C1	REAL300012061948	0	57	0.0	-73.35	443.04	10.33	-63.02
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3CCC3)=C2)C(O)=C1	REAL300012061949	0	48	0.0	-79.43	390.44	8.38	-71.05
CC(F)(F)C1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061950	0	40	0.0	-72.71	331.33	7.56	-65.15
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OCCO	REAL300012061951	0	46	0.0	-88.26	382.82	3.06	-85.20
CCN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2CC2)=N1	REAL300012061952	0	44	0.0	-83.11	367.27	6.87	-76.24
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1OCCO	REAL300012061953	0	46	0.0	-88.89	382.83	3.06	-85.83
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2=CC=NN2C)=N1	REAL300012061954	0	44	0.0	-83.97	376.38	4.94	-79.03
CC(C)(C)C1=NOC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061955	0	42	0.0	-83.58	334.19	5.85	-77.73
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CN=CC=C3C=C2)C(O)=C1	REAL300012061956	0	39	0.0	-87.64	331.84	6.51	-81.13
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC=C1OCC1CCCO1	REAL300012061957	0	53	0.0	-88.92	428.52	6.67	-82.25
CC1=CC2=CC=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=C2O1	REAL300012061958	0	40	0.0	-77.26	340.07	7.18	-70.08
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C(O)=C1	REAL300012061959	0	37	0.0	-81.47	324.64	7.14	-74.33
O=C([O-])C1=CC=C(C[NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)C(O)=C1	REAL300012061960	0	41	0.0	-72.98	365.75	6.80	-66.18
COC1=CSC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1OC	REAL300012061961	0	39	0.0	-78.37	343.59	4.07	-74.30
O=C([O-])C1=CC=C(C[NH2+]CC2=CON=C2C2CCC2)C(O)=C1	REAL300012061962	0	40	0.0	-87.05	335.55	6.11	-80.94
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CN=C(C(F)F)S3)C=C2)C(O)=C1	REAL300012061963	0	43	0.0	-86.41	388.17	7.77	-78.64
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Br)C=CC3=C2OCO3)C(O)=C1	REAL300012061964	0	37	0.0	-72.68	334.95	5.17	-67.51
CS(=O)(=O)C1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)SC=C1	REAL300012061965	1	37	0.0	-84.64	332.62	2.69	-81.95
CS(=O)(=O)C1=COC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061966	0	37	0.0	-90.01	334.66	1.63	-88.38
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C(O)=C1	REAL300012061967	0	37	0.0	-83.20	335.16	7.06	-76.14
CC(C)OC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1F	REAL300012061968	0	44	0.0	-86.66	366.34	6.95	-79.71
CCN1C=C(Cl)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=N1	REAL300012061969	1	37	0.0	-74.62	331.82	5.10	-69.52
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C(Cl)=C2F)C(O)=C1	REAL300012061970	0	34	0.0	-87.60	317.44	6.62	-80.98
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C(F)F)=C2)C(O)=C1	REAL300012061971	0	37	0.0	-80.44	325.01	6.96	-73.48
O=C([O-])C1=CC=C(C[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C(O)=C1	REAL300012061972	0	40	0.0	-78.20	341.37	8.29	-69.91
CS(=O)(=O)C1=CSC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061973	0	37	0.0	-88.48	343.07	2.63	-85.85
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=NN1C1CCC1	REAL300012061974	0	44	0.0	-81.45	358.55	6.51	-74.94
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)C(O)=C1	REAL300012061975	0	41	0.0	-85.20	366.41	7.76	-77.44
CC1=NN(C2CCCC2)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061976	0	47	0.0	-86.50	378.93	7.11	-79.39
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2CC(F)F)C(O)=C1	REAL300012061977	0	37	0.0	-92.53	326.30	4.76	-87.77
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C=C2OC2CC2)C(O)=C1	REAL300012061978	0	42	0.0	-77.21	371.32	7.68	-69.53
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061979	0	44	0.0	-83.58	371.54	6.70	-76.88
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)C(O)=C1	REAL300012061980	0	37	0.0	-80.47	332.31	7.49	-72.98
O=C([O-])C1=CC=C(C[NH2+]CC2=C(F)C=CC(Br)=C2Cl)C(O)=C1	REAL300012061981	0	34	0.0	-74.17	329.59	7.02	-67.15
O=C([O-])C1=CC=C(C[NH2+]CC2=C(F)C=CN=C2Cl)C(O)=C1	REAL300012061982	0	33	0.0	-75.59	305.38	4.63	-70.96
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C(O)=C1	REAL300012061983	0	41	0.0	-85.69	356.09	7.31	-78.38
CN(C)C1=CN=CC(F)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061984	0	41	0.0	-74.44	344.67	4.13	-70.31
COC1=NC(C)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=C1Cl	REAL300012061985	0	43	0.0	-88.21	365.28	4.26	-83.95
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061986	1	43	0.0	-84.24	365.75	6.36	-77.88
O=C([O-])C1=CC=C(C[NH2+]CC2=NN(C3CCC3)C=C2)C(O)=C1	REAL300012061987	0	41	0.0	-77.66	336.96	5.61	-72.05
O=C([O-])C1=CC=C(C[NH2+]CC2=NN(CC(F)F)C=C2)C(O)=C1	REAL300012061988	0	37	0.0	-81.41	327.10	4.93	-76.48
O=C([O-])C1=CC=C(C[NH2+]CC2=NN(C3CC3(F)F)C=C2)C(O)=C1	REAL300012061989	0	38	0.0	-83.32	336.75	5.47	-77.85
CC1=NN(C2CCCCC2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061990	0	50	0.0	-81.80	395.16	7.67	-74.13
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3CCOCC3)N=C2)C(O)=C1	REAL300012061991	0	45	0.0	-82.60	366.26	4.67	-77.93
CC1=NN(C2CCOCC2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061992	0	48	0.0	-82.48	386.68	5.21	-77.27
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC3=CC=CN=C32)C(O)=C1	REAL300012061993	0	39	0.0	-74.64	351.93	7.16	-67.48
O=C([O-])C1=CC=C(C[NH2+]CC2=NN(C3CCCC3)C=C2)C(O)=C1	REAL300012061994	0	44	0.0	-77.20	356.64	6.39	-70.81
NS(=O)(=O)C1=CSC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012061995	0	36	0.0	-88.63	336.66	0.03	-88.60
O=C([O-])C1=CC=C(C[NH2+]CC2=NC=C(Cl)C=C2Cl)C(O)=C1	REAL300012061996	0	33	0.0	-74.80	316.69	5.11	-69.69
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)C(O)=C1	REAL300012061997	0	49	0.0	-92.64	395.56	5.48	-87.16
CC1=NN(C2CCCC2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012061998	0	47	0.0	-81.96	376.92	7.01	-74.95
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2C(F)F)C(O)=C1	REAL300012061999	0	37	0.0	-73.20	314.48	7.02	-66.18
CC1=CC(Br)=C(F)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012062000	0	37	0.0	-81.63	337.38	7.34	-74.29
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C(Cl)=C2F)C(O)=C1	REAL300012062001	0	34	0.0	-86.40	330.98	7.14	-79.26
COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1Br	REAL300012062002	0	38	0.0	-75.51	335.81	5.93	-69.58
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C(F)=C2F)C(O)=C1	REAL300012062003	0	34	0.0	-87.93	317.88	6.64	-81.29
CN1C=C(C2=CC=CC(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)=C2)C=N1	REAL300012062004	0	44	0.0	-83.98	370.97	7.32	-76.66
COC1=CC(F)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1Br	REAL300012062005	0	38	0.0	-80.29	346.31	6.02	-74.27
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)C(O)=C1	REAL300012062006	0	44	0.0	-102.82	377.41	8.43	-94.39
CC1=CC=C(Br)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062007	0	37	0.0	-80.73	326.97	7.27	-73.46
COC1=C(C#N)C=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062008	0	39	0.0	-89.15	340.60	5.88	-83.27
COC1=NC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C=C3O)C=C2S1	REAL300012062009	0	40	0.0	-88.73	355.25	3.85	-84.88
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NC(Br)=C2)C(O)=C1	REAL300012062010	0	33	0.0	-89.14	307.19	4.76	-84.38
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC(Cl)=C2Cl)C(O)=C1	REAL300012062011	0	34	0.0	-80.20	325.10	7.01	-73.19
CC1=NC(Cl)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062012	0	36	0.0	-88.14	317.65	5.26	-82.88
CC(C)(C)COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012062013	0	50	0.0	-79.10	402.64	8.37	-70.73
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC(Cl)=C2F)C(O)=C1	REAL300012062014	0	34	0.0	-81.41	333.90	7.17	-74.24
COC1=CC(Cl)=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012062015	0	38	0.0	-82.91	337.08	5.84	-77.07
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)C(O)=C1	REAL300012062016	0	37	0.0	-86.90	342.42	7.38	-79.52
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CC(F)=C1F	REAL300012062017	0	38	0.0	-94.53	332.87	5.46	-89.07
COC1=CC(C)=NC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062018	0	40	0.0	-77.15	336.05	4.24	-72.91
CN1N=CC=C1C1=NNC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062019	0	41	0.0	-84.53	353.39	3.63	-80.90
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2CC2)=NO1	REAL300012062020	0	40	0.0	-86.55	340.10	6.43	-80.12
COC(=O)C1=C(C)NC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1C	REAL300012062021	0	44	0.0	-90.24	374.54	5.72	-84.52
CC(C)OC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)O1	REAL300012062022	0	41	0.0	-81.98	346.77	6.25	-75.73
CC1=CC(Br)=CC(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062023	0	40	0.0	-82.23	345.29	7.71	-74.52
O=C([O-])C1=CC=C(C[NH2+]CC2=C(O)C=CC(F)=C2Br)C(O)=C1	REAL300012062024	0	35	0.0	-76.34	324.31	3.76	-72.58
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)C=CC3=C2OCO3)C(O)=C1	REAL300012062025	0	37	0.0	-73.29	330.92	5.10	-68.19
N#CC1=CC(F)=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012062026	0	35	0.0	-92.98	318.12	6.48	-86.50
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3CCCCC3)C=C2)C(O)=C1	REAL300012062027	0	50	0.0	-78.12	392.70	9.84	-68.28
COC1=CC=CC=C1C=CC[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062028	0	42	0.0	-78.81	350.26	6.68	-72.13
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)SC(Br)=C1	REAL300012062029	0	34	0.0	-80.96	321.27	6.45	-74.51
CC1=NN(C2CCC2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062030	0	44	0.0	-82.30	358.60	6.40	-75.90
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=NN1CC(F)F	REAL300012062031	0	40	0.0	-82.74	344.98	5.44	-77.30
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C(O)=C1	REAL300012062032	0	42	0.0	-88.16	360.03	6.37	-81.79
CCCN1N=C(C)C(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062033	0	43	0.0	-84.03	373.23	6.30	-77.73
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062034	0	46	0.0	-88.17	388.98	8.11	-80.06
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062035	0	41	0.0	-90.75	354.16	5.28	-85.47
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C(O)=C1	REAL300012062036	0	47	0.0	-79.69	393.64	10.49	-69.20
CCCCC(=O)NC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012062037	0	50	0.0	-84.27	410.50	7.28	-76.99
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=N1	REAL300012062038	0	40	0.0	-85.51	332.95	3.31	-82.20
CCN(C)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C)=C1	REAL300012062039	0	48	0.0	-76.88	378.97	8.01	-68.87
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CN=C2Br)C(O)=C1	REAL300012062040	0	33	0.0	-81.45	318.13	5.22	-76.23
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)C(Cl)=CS2)C(O)=C1	REAL300012062041	0	31	0.0	-77.65	312.30	6.06	-71.59
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062042	0	55	0.0	-78.83	419.81	8.20	-70.63
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062043	0	45	0.0	-69.07	368.55	5.40	-63.67
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C(O)=C1	REAL300012062044	0	38	0.0	-87.87	352.87	6.37	-81.50
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C(O)=C1	REAL300012062045	0	44	0.0	-85.11	379.43	8.85	-76.26
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3SC=CC3=C2)C(O)=C1	REAL300012062046	0	37	0.0	-84.36	327.77	7.40	-76.96
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C(O)=C1	REAL300012062047	0	43	0.0	-85.20	360.26	7.69	-77.51
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012062048	0	56	0.0	-82.52	449.73	10.94	-71.58
CC(C)(C)C1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=NO1	REAL300012062049	0	42	0.0	-81.51	333.51	6.15	-75.36
CC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1C(F)(F)F	REAL300012062050	0	40	0.0	-76.13	335.87	7.63	-68.50
CCC(C)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=C1	REAL300012062051	0	46	0.0	-78.13	369.52	8.62	-69.51
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=NC=C(Br)C=C3O2)C(O)=C1	REAL300012062052	0	36	0.0	-88.16	334.79	5.34	-82.82
O=C([O-])C1=CC=C(C[NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)C(O)=C1	REAL300012062053	0	39	0.0	-86.61	355.90	6.40	-80.21
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=C(CCOC3)N=C2Cl)C(O)=C1	REAL300012062054	0	41	0.0	-84.02	351.77	4.68	-79.34
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC(Br)=CC=C3S2)C(O)=C1	REAL300012062055	0	37	0.0	-82.80	349.50	8.19	-74.61
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062056	0	47	0.0	-82.27	392.39	8.64	-73.63
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=N1	REAL300012062057	0	39	0.0	-86.54	339.33	6.04	-80.50
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC(F)=C2F)C(O)=C1	REAL300012062058	0	34	0.0	-82.33	324.01	6.74	-75.59
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=C(Br)C=C2F)C(O)=C1	REAL300012062059	0	34	0.0	-83.16	331.52	7.14	-76.02
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C(O)=C1	REAL300012062060	0	44	0.0	-79.04	346.22	8.40	-70.64
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)C(O)=C1	REAL300012062061	0	36	0.0	-94.52	340.36	7.32	-87.20
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062062	0	41	0.0	-84.66	350.72	7.92	-76.74
COC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=CC(Br)=C1F	REAL300012062063	0	38	0.0	-85.64	347.17	6.09	-79.55
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2F)C(O)=C1	REAL300012062064	0	37	0.0	-83.21	334.33	7.05	-76.16
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C(O)=C1	REAL300012062065	0	40	0.0	-93.72	343.22	5.94	-87.78
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C=CC2=CC=CC=C12	REAL300012062066	0	43	0.0	-81.60	348.29	8.72	-72.88
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062067	0	52	0.0	-81.62	416.03	7.68	-73.94
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)C(O)=C1	REAL300012062068	0	40	0.0	-85.90	355.40	8.81	-77.09
COC1=C2C=CNC2=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062069	0	42	0.0	-77.62	352.62	5.53	-72.09
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C(O)=C1	REAL300012062070	0	47	0.0	-82.41	379.86	3.16	-79.25
COC1=CC=C(OC)C(OC)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062071	0	46	0.0	-73.29	377.98	4.63	-68.66
CCCN1N=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1C	REAL300012062072	0	43	0.0	-81.91	354.65	5.86	-76.05
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)C(O)=C1	REAL300012062073	0	51	0.0	-70.82	402.21	7.93	-62.89
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)C(O)=C1	REAL300012062074	0	48	0.0	-79.72	404.52	9.54	-70.18
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C2=NC=CC=C2C=C1	REAL300012062075	0	42	0.0	-73.96	346.58	7.11	-66.85
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=CN=C1N1C=CC=N1	REAL300012062076	0	43	0.0	-91.01	363.42	7.34	-83.67
COC(=O)C1=CN(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1	REAL300012062077	0	41	0.0	-88.72	352.77	6.15	-82.57
COC1=CC=C(Br)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)=C1O	REAL300012062078	0	39	0.0	-74.00	347.82	3.69	-70.31
CCCN1N=C(C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1O	REAL300012062079	0	43	0.0	-86.00	356.80	5.84	-80.16
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)C(C2CCC2)=N1	REAL300012062080	0	44	0.0	-83.56	362.04	6.45	-77.11
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2O)O1	REAL300012062081	0	42	0.0	-82.66	350.05	3.52	-79.14
CC1=CC=C(N2C=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012062082	0	56	0.0	-41.48	409.61	12.49	-28.99
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012062083	0	52	0.0	-41.70	404.13	11.52	-30.18
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062084	0	44	0.0	-40.65	364.29	10.36	-30.29
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012062085	0	51	0.0	-46.31	400.06	12.86	-33.45
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)O1	REAL300012062086	0	31	0.0	-36.71	267.05	7.18	-29.53
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OCC1=CC=C(F)C=C1	REAL300012062087	0	52	0.0	-41.79	410.55	11.59	-30.20
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=C2)C=C1	REAL300012062088	0	52	0.0	-44.18	406.09	9.62	-34.56
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(NC(=O)C2=CC=CC=C2Cl)=CC=C1	REAL300012062089	0	48	0.0	-47.88	388.94	10.84	-37.04
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062090	0	44	0.0	-43.45	342.91	10.10	-33.35
N#CCCN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012062091	0	48	0.0	-44.52	386.46	10.81	-33.71
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OC(F)F	REAL300012062092	0	42	0.0	-44.08	333.11	7.79	-36.29
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012062093	0	50	0.0	-39.65	394.99	11.09	-28.56
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1	REAL300012062094	0	41	0.0	-37.77	346.14	10.82	-26.95
CCOC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC(Br)=C1OC	REAL300012062095	0	45	0.0	-40.62	368.63	9.22	-31.40
CCOC1=C(Br)C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062096	0	45	0.0	-40.76	368.63	9.25	-31.51
C=CCOC1=C(Br)C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062097	0	46	0.0	-40.97	381.53	9.83	-31.14
CCCOC1=C(Br)C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062098	0	48	0.0	-40.59	390.13	10.05	-30.54
CCCOC1=CC=C(Br)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062099	0	44	0.0	-35.07	356.26	10.04	-25.03
CCOC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300012062100	0	45	0.0	-40.46	344.22	8.47	-31.99
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012062101	0	48	0.0	-38.36	374.46	11.64	-26.72
CCCCCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062102	0	50	0.0	-38.98	380.49	10.89	-28.09
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012062103	0	43	0.0	-42.42	353.04	10.87	-31.55
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012062104	0	43	0.0	-42.87	353.03	10.87	-32.00
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1Br	REAL300012062105	0	38	0.0	-38.14	313.57	8.31	-29.83
CCCCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062106	0	51	0.0	-41.18	388.21	10.01	-31.17
CCCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062107	0	48	0.0	-41.23	366.71	9.23	-32.00
C=CCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062108	0	46	0.0	-41.61	358.11	9.01	-32.60
CCCCCCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062109	0	57	0.0	-41.12	431.20	11.57	-29.55
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012062110	0	41	0.0	-37.71	341.58	10.72	-26.99
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012062111	0	41	0.0	-38.54	340.27	10.63	-27.91
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1	REAL300012062112	0	41	0.0	-36.45	345.05	10.85	-25.60
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012062113	0	41	0.0	-36.95	349.17	11.61	-25.34
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012062114	0	44	0.0	-38.71	347.91	10.03	-28.68
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC(OC)=C1OCC1=CC=CC=C1	REAL300012062115	0	56	0.0	-44.84	437.21	11.44	-33.40
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012062116	0	43	0.0	-39.66	348.04	11.54	-28.12
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012062117	0	53	0.0	-53.56	406.85	9.38	-44.18
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012062118	0	40	0.0	-36.09	335.79	9.16	-26.93
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012062119	0	38	0.0	-40.81	309.19	8.15	-32.66
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012062120	0	38	0.0	-39.07	320.99	9.77	-29.30
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012062121	0	41	0.0	-49.16	321.95	6.15	-43.01
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012062122	0	38	0.0	-39.61	310.59	8.10	-31.51
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012062123	0	43	0.0	-42.15	360.63	11.76	-30.39
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012062124	0	43	0.0	-38.63	360.25	11.87	-26.76
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012062125	0	41	0.0	-47.51	327.51	8.21	-39.30
CC1=CC=C(C2=NNC=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062126	0	44	0.0	-45.09	342.49	8.81	-36.28
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012062127	0	38	0.0	-39.21	300.27	7.23	-31.98
COC1=CC=C(C2=NNC=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062128	0	45	0.0	-40.57	350.44	7.44	-33.13
CCOC1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C)=NN1CC(C)C	REAL300012062129	0	53	0.0	-38.31	391.34	8.41	-29.90
CC1=CC=C(C2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])O2)C=C1	REAL300012062130	0	44	0.0	-37.34	346.25	10.89	-26.45
CC1=CC=C(C2=NNC=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])O1	REAL300012062131	0	41	0.0	-41.78	321.87	7.30	-34.48
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012062132	0	47	0.0	-43.05	364.50	7.35	-35.70
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012062133	0	49	0.0	-42.31	373.37	8.85	-33.46
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012062134	0	41	0.0	-37.51	338.86	11.16	-26.35
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012062135	0	47	0.0	-37.95	367.21	9.94	-28.01
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062136	0	43	0.0	-36.61	334.36	7.35	-29.26
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)S1	REAL300012062137	0	41	0.0	-36.97	353.74	11.72	-25.25
CC(C)N1N=CC2=CC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=C(Cl)N=C21	REAL300012062138	0	45	0.0	-38.88	362.33	9.44	-29.44
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012062139	0	41	0.0	-36.76	348.43	11.66	-25.10
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012062140	0	51	0.0	-43.24	399.01	9.75	-33.49
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012062141	0	41	0.0	-37.74	340.88	11.32	-26.42
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2Br)S1	REAL300012062142	0	41	0.0	-36.73	352.02	11.73	-25.00
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012062143	0	37	0.0	-35.39	315.51	9.79	-25.60
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012062144	0	37	0.0	-41.14	307.95	9.40	-31.74
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012062145	0	34	0.0	-35.94	292.88	9.29	-26.65
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012062146	0	37	0.0	-34.09	298.69	9.48	-24.61
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012062147	0	37	0.0	-42.52	310.07	9.40	-33.12
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012062148	0	37	0.0	-36.60	308.19	9.37	-27.23
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(Cl)=C1OC	REAL300012062149	0	42	0.0	-44.84	339.28	8.08	-36.76
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062150	0	50	0.0	-35.47	398.79	11.63	-23.84
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)S1	REAL300012062151	0	41	0.0	-37.43	353.74	11.72	-25.71
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012062152	0	38	0.0	-37.27	318.03	8.49	-28.78
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012062153	0	41	0.0	-37.48	349.18	11.61	-25.87
N#CC1=CC=CC(COC2=CC=CC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=C2)=C1	REAL300012062154	0	49	0.0	-40.64	395.73	12.02	-28.62
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012062155	0	44	0.0	-47.24	347.15	6.79	-40.45
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012062156	0	45	0.0	-43.69	364.78	8.89	-34.80
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012062157	0	47	0.0	-42.73	370.74	9.82	-32.91
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012062158	0	40	0.0	-40.65	328.54	8.17	-32.48
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=C2OCCCOC2=C1	REAL300012062159	0	43	0.0	-41.74	347.90	8.91	-32.83
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012062160	0	44	0.0	-48.15	364.36	10.49	-37.66
CC(C)C1=NN(C)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062161	0	43	0.0	-34.32	343.77	8.30	-26.02
COCCOC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062162	0	45	0.0	-38.18	349.59	7.81	-30.37
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012062163	0	39	0.0	-37.29	324.87	7.24	-30.05
CC(C)N1C2=CC=CC=C2N=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062164	0	46	0.0	-36.65	345.99	9.88	-26.77
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=N1	REAL300012062165	0	50	0.0	-49.08	382.71	8.24	-40.84
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012062166	0	41	0.0	-38.58	335.53	9.00	-29.58
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012062167	0	43	0.0	-43.09	326.23	8.29	-34.80
CCCN1C2=CC=CC=C2N=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062168	0	46	0.0	-36.50	355.19	10.33	-26.17
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012062169	0	41	0.0	-37.23	330.59	10.87	-26.36
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012062170	0	48	0.0	-38.30	358.76	10.49	-27.81
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012062171	0	47	0.0	-45.30	370.75	10.23	-35.07
CC1=CC=C(C2=NC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CS2)C=C1	REAL300012062172	0	43	0.0	-34.14	349.92	9.82	-24.32
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012062173	0	48	0.0	-38.93	379.60	11.76	-27.17
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012062174	0	44	0.0	-37.11	361.03	8.62	-28.49
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012062175	0	43	0.0	-36.65	368.08	10.09	-26.56
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1	REAL300012062176	0	44	0.0	-37.14	377.76	9.14	-28.00
CC1=CC=C(OCC2=NC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CS2)C=C1	REAL300012062177	0	47	0.0	-35.93	381.34	9.32	-26.61
COC1=CC=C(OCC2=NC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CS2)C=C1	REAL300012062178	0	48	0.0	-38.46	390.53	7.90	-30.56
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012062179	0	37	0.0	-34.93	320.42	8.03	-26.90
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012062180	0	41	0.0	-38.20	338.86	11.16	-27.04
CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062181	0	48	0.0	-48.79	371.40	9.15	-39.64
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012062182	0	48	0.0	-35.41	356.38	10.61	-24.80
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062183	0	51	0.0	-37.47	396.75	9.22	-28.25
CC1=CC=C(C2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])S2)C=C1	REAL300012062184	0	44	0.0	-36.52	353.85	11.77	-24.75
COC1=CC(OC2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2)=CC(OC)=C1	REAL300012062185	0	53	0.0	-43.80	412.21	9.76	-34.04
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012062186	0	40	0.0	-41.22	329.56	8.63	-32.59
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062187	0	38	0.0	-40.95	326.88	8.72	-32.23
CCOCCOC1=CC=C(Br)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062188	0	48	0.0	-35.44	390.24	9.47	-25.97
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012062189	0	34	0.0	-35.73	297.46	9.40	-26.33
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012062190	0	34	0.0	-35.28	296.47	9.39	-25.89
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012062191	0	45	0.0	-40.73	366.06	11.28	-29.45
CCOC1=C(OC)C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062192	0	49	0.0	-43.67	377.31	8.40	-35.27
COCCCOC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062193	0	48	0.0	-37.96	371.14	8.41	-29.55
COC1=CC=C(OC(F)F)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062194	0	42	0.0	-37.39	330.83	7.25	-30.14
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(Br)=C1OC(F)F	REAL300012062195	0	38	0.0	-39.86	319.29	8.57	-31.29
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012062196	0	38	0.0	-35.54	315.64	8.40	-27.14
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012062197	0	54	0.0	-37.84	418.87	13.14	-24.70
CC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012062198	0	47	0.0	-40.13	368.93	10.22	-29.91
O=C(COC1=CC=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-])NCC1CC1	REAL300012062199	0	52	0.0	-47.64	406.30	9.58	-38.06
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])S2)C=C1	REAL300012062200	0	43	0.0	-39.33	350.97	10.00	-29.33
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012062201	0	39	0.0	-37.42	320.20	9.39	-28.03
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012062202	0	39	0.0	-40.46	308.90	8.90	-31.56
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012062203	0	39	0.0	-38.07	309.91	8.94	-29.13
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012062204	0	39	0.0	-39.91	317.75	9.28	-30.63
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012062205	0	41	0.0	-39.27	339.34	10.37	-28.90
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])O1	REAL300012062206	0	44	0.0	-37.01	350.83	11.00	-26.01
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])O2)C=C1	REAL300012062207	0	47	0.0	-37.09	367.74	11.64	-25.45
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(OC(F)F)=C1	REAL300012062208	0	42	0.0	-42.70	331.91	7.23	-35.47
COC1=CC=C2OC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CC2=C1	REAL300012062209	0	41	0.0	-39.09	320.86	8.15	-30.94
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012062210	0	42	0.0	-39.63	331.38	10.08	-29.55
CC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1Br	REAL300012062211	0	37	0.0	-39.95	304.10	9.50	-30.45
CC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300012062212	0	37	0.0	-38.05	303.13	9.54	-28.51
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012062213	0	39	0.0	-36.97	315.96	8.69	-28.28
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])O2)C=C1	REAL300012062214	0	53	0.0	-36.90	400.96	12.52	-24.38
CC1=CC=C(C)C(OC2=CC=CC(Cl)=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1C	REAL300012062215	0	54	0.0	-31.67	424.30	13.56	-18.11
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062216	0	54	0.0	-36.00	392.64	10.83	-25.17
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062217	0	54	0.0	-32.95	400.93	11.31	-21.64
CC1=CC=CC(COC2=C(C)C=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2C)=C1	REAL300012062218	0	57	0.0	-40.42	439.12	13.76	-26.66
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1C	REAL300012062219	0	57	0.0	-40.18	436.18	13.90	-26.28
CC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300012062220	0	54	0.0	-39.40	430.87	13.69	-25.71
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062221	0	52	0.0	-38.16	399.51	13.08	-25.08
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062222	0	50	0.0	-38.78	399.17	11.28	-27.50
CCN(CC)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1F	REAL300012062223	0	48	0.0	-37.90	362.92	9.41	-28.49
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C(SC)C=C1OC	REAL300012062224	0	46	0.0	-40.09	358.84	8.44	-31.65
COC1=CC=C2N=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])SC2=C1	REAL300012062225	0	40	0.0	-39.70	325.11	7.15	-32.55
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062226	0	40	0.0	-36.91	327.49	9.21	-27.70
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012062227	0	38	0.0	-39.46	314.46	9.57	-29.89
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012062228	0	38	0.0	-43.00	310.09	7.96	-35.04
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062229	0	40	0.0	-40.18	318.80	9.86	-30.32
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC(Cl)=C1OC	REAL300012062230	0	42	0.0	-41.13	342.40	8.19	-32.94
CCOC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OC(C)C(=O)N(C)C	REAL300012062231	0	58	0.0	-50.01	434.23	10.15	-39.86
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=CC=C1OC(F)F	REAL300012062232	0	38	0.0	-37.10	322.60	8.60	-28.50
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062233	0	50	0.0	-38.80	404.89	11.47	-27.33
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OCC(C)C	REAL300012062234	0	51	0.0	-40.03	385.82	9.95	-30.08
CCCOC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300012062235	0	48	0.0	-41.25	366.71	9.23	-32.02
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)S1	REAL300012062236	0	31	0.0	-36.46	276.51	8.15	-28.31
CCOC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC(Cl)=C1OC	REAL300012062237	0	45	0.0	-40.90	364.25	9.11	-31.79
COC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1OC(C)C	REAL300012062238	0	48	0.0	-41.56	362.62	9.33	-32.23
CCOC1=C(Cl)C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062239	0	45	0.0	-41.06	364.25	9.14	-31.92
CCCOC1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=CC=C1OCC	REAL300012062240	0	51	0.0	-42.24	388.56	10.23	-32.01
CCCCOC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300012062241	0	51	0.0	-41.34	388.21	10.01	-31.33
CCCOC1=C(Cl)C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OCC	REAL300012062242	0	51	0.0	-40.70	407.60	10.86	-29.84
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062243	0	50	0.0	-40.67	399.56	11.90	-28.77
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC(F)F	REAL300012062244	0	42	0.0	-37.97	332.13	7.84	-30.13
CCOC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OC(F)F	REAL300012062245	0	45	0.0	-43.98	354.97	8.71	-35.27
CC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012062246	0	44	0.0	-40.52	343.19	9.36	-31.16
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300012062247	0	40	0.0	-36.15	350.69	9.70	-26.45
CCOC1=CC2=C(C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-])OC(C)C2	REAL300012062248	0	49	0.0	-36.72	371.42	9.18	-27.54
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC2=C1OCCO2	REAL300012062249	0	44	0.0	-41.63	337.38	7.37	-34.26
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012062250	0	43	0.0	-41.24	359.08	9.74	-31.50
CCCCN1N=C(C)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1Cl	REAL300012062251	0	46	0.0	-38.14	367.57	9.36	-28.78
CCOC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1OC(F)F	REAL300012062252	0	45	0.0	-40.68	353.32	8.80	-31.88
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012062253	0	52	0.0	-49.33	397.98	10.45	-38.88
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012062254	0	54	0.0	-46.97	425.48	13.32	-33.65
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012062255	0	41	0.0	-36.57	332.46	11.09	-25.48
CCCOC1=C(Cl)C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062256	0	48	0.0	-40.94	385.75	9.94	-31.00
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062257	0	56	0.0	-41.99	412.69	12.29	-29.70
CC(C)(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062258	0	53	0.0	-35.32	407.91	12.03	-23.29
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062259	0	53	0.0	-37.79	425.36	12.09	-25.70
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012062260	0	41	0.0	-42.18	338.78	10.35	-31.83
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062261	0	57	0.0	-41.38	432.59	10.81	-30.57
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2CCCCC2)=N1	REAL300012062262	0	50	0.0	-41.05	371.48	9.83	-31.22
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062263	0	53	0.0	-42.75	406.67	12.52	-30.23
CC1(C)CCC2=C(C1)SC(C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-])=N2	REAL300012062264	0	46	0.0	-38.29	348.76	8.96	-29.33
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012062265	0	41	0.0	-46.35	337.77	8.65	-37.70
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OCC1=C(C)ON=C1C	REAL300012062266	0	54	0.0	-45.27	422.40	10.26	-35.01
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012062267	0	41	0.0	-38.43	331.41	10.32	-28.11
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012062268	0	40	0.0	-42.55	325.08	8.01	-34.54
CCCCC1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300012062269	0	49	0.0	-39.66	372.03	11.77	-27.89
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012062270	0	47	0.0	-45.98	371.39	12.97	-33.01
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012062271	0	49	0.0	-41.44	394.36	10.59	-30.85
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062272	0	47	0.0	-41.92	367.78	10.54	-31.38
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012062273	0	43	0.0	-42.05	343.51	8.80	-33.25
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300012062274	0	48	0.0	-38.28	389.04	12.17	-26.11
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012062275	0	43	0.0	-39.37	323.00	9.56	-29.81
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012062276	0	41	0.0	-43.52	341.76	9.08	-34.44
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012062277	0	40	0.0	-41.75	336.27	8.74	-33.01
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012062278	0	40	0.0	-39.96	340.04	8.69	-31.27
CC1=CC(Br)=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1OC(F)F	REAL300012062279	0	41	0.0	-35.89	341.33	9.22	-26.67
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012062280	0	31	0.0	-38.95	292.37	8.62	-30.33
CC1=CC=C(SC2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012062281	0	50	0.0	-43.27	409.29	13.64	-29.63
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012062282	0	51	0.0	-46.43	400.15	13.26	-33.17
COC1=CC=C(C2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012062283	0	47	0.0	-39.86	377.49	10.82	-29.04
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012062284	0	41	0.0	-38.92	356.74	11.17	-27.75
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1	REAL300012062285	0	47	0.0	-45.57	386.50	12.67	-32.90
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062286	0	47	0.0	-38.77	383.48	10.79	-27.98
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062287	0	47	0.0	-37.54	397.74	11.26	-26.28
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CS1	REAL300012062288	0	51	0.0	-42.50	407.97	12.48	-30.02
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012062289	0	53	0.0	-38.89	420.39	11.53	-27.36
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062290	0	44	0.0	-40.66	374.70	10.80	-29.86
CC1=NN(CC2=CC=C(Cl)C=C2)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062291	0	47	0.0	-38.84	400.20	11.31	-27.53
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300012062292	0	48	0.0	-41.24	363.13	9.05	-32.19
CCCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OCC	REAL300012062293	0	51	0.0	-41.17	388.56	10.15	-31.02
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062294	0	47	0.0	-39.34	389.88	10.86	-28.48
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C(Br)=C1	REAL300012062295	0	34	0.0	-38.62	303.91	9.51	-29.11
CCCCCCCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062296	0	56	0.0	-39.08	423.49	12.45	-26.63
CC(C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012062297	0	55	0.0	-37.87	397.52	12.68	-25.19
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Br)C=CS1	REAL300012062298	0	31	0.0	-34.66	273.17	7.98	-26.68
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012062299	0	47	0.0	-36.12	347.91	7.80	-28.32
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(F)=CC=C1Br	REAL300012062300	0	34	0.0	-35.75	286.14	8.95	-26.80
CC1=CC=C(C2=CC=CC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=C2)C=C1	REAL300012062301	0	47	0.0	-38.56	360.24	12.40	-26.16
COC1=CC=C(Br)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062302	0	38	0.0	-33.34	309.40	8.17	-25.17
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012062303	0	40	0.0	-45.32	319.17	9.09	-36.23
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012062304	0	34	0.0	-38.61	297.00	9.35	-29.26
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=CO1	REAL300012062305	0	31	0.0	-37.23	265.95	7.12	-30.11
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062306	0	47	0.0	-36.14	359.50	12.42	-23.72
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012062307	0	40	0.0	-41.99	341.33	10.34	-31.65
CCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OCC	REAL300012062308	0	48	0.0	-41.37	367.06	9.35	-32.02
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012062309	0	37	0.0	-40.28	315.53	9.76	-30.52
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(F)C=C1Br	REAL300012062310	0	34	0.0	-34.40	286.33	8.95	-25.45
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012062311	0	38	0.0	-38.67	310.61	8.11	-30.56
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062312	0	48	0.0	-39.08	372.81	11.37	-27.71
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012062313	0	44	0.0	-38.41	363.57	11.19	-27.22
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300012062314	0	44	0.0	-40.19	333.96	9.79	-30.40
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(Br)=C1O	REAL300012062315	0	39	0.0	-43.82	320.25	6.01	-37.81
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(Br)=C1	REAL300012062316	0	31	0.0	-37.57	276.20	7.97	-29.60
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012062317	0	51	0.0	-45.07	399.96	9.70	-35.37
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300012062318	0	41	0.0	-38.24	364.33	12.07	-26.17
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300012062319	0	47	0.0	-42.73	386.08	10.37	-32.36
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012062320	0	52	0.0	-37.66	396.55	10.90	-26.76
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012062321	0	44	0.0	-37.64	337.84	11.76	-25.88
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012062322	0	47	0.0	-42.78	369.28	9.85	-32.93
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012062323	0	45	0.0	-39.99	338.53	8.22	-31.77
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012062324	0	34	0.0	-39.69	290.66	9.02	-30.67
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012062325	0	43	0.0	-37.20	336.27	10.18	-27.02
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012062326	0	43	0.0	-41.21	332.69	9.98	-31.23
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012062327	0	43	0.0	-41.36	334.04	9.97	-31.39
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062328	0	49	0.0	-37.47	358.59	8.86	-28.61
CN1CCN(C2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012062329	1	51	0.0	-38.06	373.76	7.01	-31.05
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012062330	0	43	0.0	-43.23	345.95	6.80	-36.43
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012062331	0	41	0.0	-40.85	328.91	9.64	-31.21
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062332	0	47	0.0	-41.48	378.10	11.00	-30.48
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012062333	0	41	0.0	-40.43	339.23	10.09	-30.34
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062334	0	47	0.0	-43.02	375.14	10.66	-32.36
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1	REAL300012062335	0	41	0.0	-39.84	368.39	10.23	-29.61
CC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012062336	0	53	0.0	-41.03	410.47	11.39	-29.64
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012062337	0	41	0.0	-42.32	335.56	8.99	-33.33
CCOC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012062338	0	55	0.0	-42.62	426.97	12.41	-30.21
COC1=C2OC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CC2=CC=C1	REAL300012062339	0	41	0.0	-38.41	320.89	8.16	-30.25
CC(C)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012062340	0	45	0.0	-41.36	348.74	10.85	-30.51
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012062341	0	37	0.0	-43.00	311.97	7.59	-35.41
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062342	0	50	0.0	-38.47	386.78	10.91	-27.56
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062343	0	50	0.0	-44.71	400.34	11.37	-33.34
CCOC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OCC(C)C	REAL300012062344	0	54	0.0	-40.84	408.67	10.83	-30.01
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=CC=C1F	REAL300012062345	0	34	0.0	-37.64	290.32	8.98	-28.66
COC1=CC(Br)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062346	0	42	0.0	-35.99	338.73	8.07	-27.92
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C=C1F	REAL300012062347	0	34	0.0	-35.49	290.32	8.98	-26.51
COC1=CC2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2C=C1	REAL300012062348	0	44	0.0	-41.14	338.97	9.89	-31.25
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=CS1	REAL300012062349	0	31	0.0	-37.34	276.24	8.03	-29.31
CCCCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OCC	REAL300012062350	0	54	0.0	-41.12	410.06	10.93	-30.19
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062351	0	47	0.0	-41.78	361.37	10.48	-31.30
COC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1OC(F)F	REAL300012062352	0	42	0.0	-40.74	331.46	7.89	-32.85
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012062353	0	38	0.0	-36.80	324.02	8.92	-27.88
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012062354	0	54	0.0	-41.54	401.87	11.55	-29.99
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012062356	0	34	0.0	-39.44	290.66	9.01	-30.43
CC1=CC=C(COC2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300012062357	0	51	0.0	-40.64	397.27	12.27	-28.37
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012062358	0	49	0.0	-37.16	357.49	9.59	-27.57
CCCCCCOC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062359	0	53	0.0	-35.29	400.97	11.72	-23.57
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1SC	REAL300012062360	0	42	0.0	-40.16	332.54	8.70	-31.46
N#CCCCOC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062361	0	45	0.0	-42.35	357.33	9.89	-32.46
CCCCCOC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300012062362	0	54	0.0	-41.29	409.71	10.79	-30.50
CCC(C)OC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300012062363	0	51	0.0	-41.17	383.89	9.84	-31.33
CCCCCCCOC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062364	0	56	0.0	-35.33	422.47	12.50	-22.83
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OCCCC#N	REAL300012062365	0	49	0.0	-51.63	387.56	9.75	-41.88
C=C(C)COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300012062366	0	49	0.0	-41.07	376.54	9.83	-31.24
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OCCC(C)C	REAL300012062367	0	54	0.0	-40.19	404.79	10.57	-29.62
C=CCC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC(OC)=C1O	REAL300012062368	0	46	0.0	-41.32	358.50	7.50	-33.82
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062369	0	43	0.0	-39.55	341.66	9.29	-30.26
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062370	0	44	0.0	-43.97	361.95	6.82	-37.15
CCOC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012062371	0	48	0.0	-43.66	386.64	9.81	-33.85
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012062372	0	40	0.0	-41.75	327.70	9.07	-32.68
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012062373	0	47	0.0	-39.52	357.70	7.49	-32.03
C=CCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300012062374	0	42	0.0	-39.43	344.89	9.67	-29.76
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012062375	0	40	0.0	-39.50	329.57	9.32	-30.18
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C2OC(C)CC2=C1	REAL300012062376	0	46	0.0	-38.72	349.70	8.20	-30.52
CC1(C)CC2=CC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300012062377	0	45	0.0	-38.83	341.05	9.60	-29.23
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012062378	0	37	0.0	-35.06	321.08	8.14	-26.92
CC1=CC=CC(C2=NNC=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062379	0	44	0.0	-39.21	341.39	8.85	-30.36
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012062380	0	37	0.0	-41.85	320.40	9.84	-32.01
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300012062381	0	37	0.0	-41.72	324.96	9.94	-31.78
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012062382	0	34	0.0	-34.33	297.65	9.39	-24.94
CC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300012062383	0	37	0.0	-37.80	302.24	9.50	-28.30
CC(C)COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062384	0	47	0.0	-38.86	357.60	10.02	-28.84
COCCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062385	0	45	0.0	-41.38	349.62	7.80	-33.58
CC(C)(C)N1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC=CC=C2Cl)=N1	REAL300012062386	0	53	0.0	-44.66	419.04	12.03	-32.63
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062387	0	49	0.0	-41.68	393.35	12.01	-29.67
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012062388	0	38	0.0	-41.84	319.89	8.43	-33.41
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012062389	0	42	0.0	-41.79	357.59	9.76	-32.03
CN1N=C(C2=CC=CC=C2)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1Cl	REAL300012062390	0	44	0.0	-38.34	359.45	9.79	-28.55
COC1=CC2=C(C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-])OCO2	REAL300012062391	0	41	0.0	-39.59	318.70	6.31	-33.28
CC(C)COC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062392	0	47	0.0	-35.24	356.58	10.06	-25.18
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=CC(Br)=C1	REAL300012062393	0	33	0.0	-40.71	280.77	7.13	-33.58
CC1(C)CC2=CC=CC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=C2O1	REAL300012062394	0	45	0.0	-38.85	341.91	9.53	-29.32
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012062395	0	39	0.0	-36.82	320.52	8.80	-28.02
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012062396	0	44	0.0	-45.11	344.04	9.44	-35.67
CC1=C(Br)SC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062397	0	34	0.0	-35.35	295.16	8.79	-26.56
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012062398	0	39	0.0	-40.02	321.80	9.37	-30.65
COC1=CC=C(OC2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300012062399	0	49	0.0	-40.52	384.51	10.51	-30.01
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012062400	0	36	0.0	-34.73	284.95	7.35	-27.38
CC1=CC(C2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2)=CC(C)=C1	REAL300012062401	0	50	0.0	-39.31	381.62	13.04	-26.27
CC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012062402	0	43	0.0	-42.47	332.56	11.80	-30.67
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012062403	0	41	0.0	-44.67	329.01	8.85	-35.82
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062404	0	44	0.0	-43.78	359.75	10.62	-33.16
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012062405	0	48	0.0	-41.36	382.29	11.67	-29.69
CCCCOC1=CC=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062406	0	47	0.0	-36.95	357.54	10.16	-26.79
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012062407	0	45	0.0	-40.47	365.14	12.40	-28.07
CC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012062408	0	44	0.0	-39.02	340.86	9.14	-29.88
COC1=CC(C)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062409	0	45	0.0	-39.03	336.82	8.14	-30.89
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1	REAL300012062410	0	40	0.0	-41.29	361.48	10.21	-31.08
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062411	0	40	0.0	-47.04	326.72	9.20	-37.84
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062412	0	40	0.0	-40.51	321.38	6.45	-34.06
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062413	0	43	0.0	-41.73	348.49	7.77	-33.96
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012062414	0	38	0.0	-38.39	310.37	7.19	-31.20
CC(C)SC1=CC(Br)=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062415	0	44	0.0	-38.07	359.24	11.21	-26.86
CSC1=CC(Br)=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062416	0	38	0.0	-38.30	321.55	9.83	-28.47
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012062417	0	44	0.0	-39.79	354.33	10.10	-29.69
CC1CCC2=C(C1)SC(C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-])=N2	REAL300012062418	0	43	0.0	-37.59	332.79	8.69	-28.90
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC(F)F)C(Br)=C1	REAL300012062419	0	38	0.0	-41.59	324.28	8.56	-33.03
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012062420	0	47	0.0	-40.07	386.65	11.03	-29.04
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062421	0	48	0.0	-38.16	365.72	11.13	-27.03
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062422	0	48	0.0	-38.19	366.86	11.07	-27.12
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062423	0	47	0.0	-41.01	362.02	9.33	-31.68
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012062424	0	45	0.0	-39.37	347.62	10.11	-29.26
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012062425	0	45	0.0	-39.86	375.86	11.83	-28.03
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C=C1N1CCOCC1	REAL300012062426	0	47	0.0	-38.40	369.13	8.45	-29.95
COC1=CC(Cl)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300012062427	0	38	0.0	-38.91	322.77	8.58	-30.33
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012062428	0	37	0.0	-38.89	321.45	8.40	-30.49
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012062429	0	37	0.0	-39.14	320.70	8.26	-30.88
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])S2)O1	REAL300012062430	0	40	0.0	-40.29	334.23	8.22	-32.07
CC1=CC(Br)=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062431	0	37	0.0	-37.06	299.43	9.58	-27.48
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012062432	0	34	0.0	-38.59	299.78	9.42	-29.17
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012062433	0	41	0.0	-47.38	327.43	8.23	-39.15
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012062434	0	43	0.0	-45.15	339.50	9.97	-35.18
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=NC=C(Br)C=C1Br	REAL300012062435	0	33	0.0	-32.99	298.12	7.62	-25.37
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012062436	0	37	0.0	-35.32	308.67	9.26	-26.06
COCCOC1=CC=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062437	0	45	0.0	-37.35	348.18	7.84	-29.51
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012062438	0	34	0.0	-33.78	296.66	9.40	-24.38
COC1=C(Br)C=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062439	0	38	0.0	-42.38	314.57	8.34	-34.04
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012062440	0	41	0.0	-39.23	323.22	8.54	-30.69
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012062441	0	48	0.0	-34.64	372.83	11.12	-23.52
COC1=CC(Br)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(OC)=C1	REAL300012062442	0	42	0.0	-32.18	340.27	7.45	-24.73
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012062443	0	45	0.0	-32.14	367.73	11.67	-20.47
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012062444	0	49	0.0	-37.53	388.45	9.40	-28.13
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062445	0	44	0.0	-43.78	364.32	10.71	-33.07
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062446	0	53	0.0	-40.92	389.17	11.88	-29.04
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012062447	0	41	0.0	-38.22	331.26	10.27	-27.95
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(Br)=C1	REAL300012062448	0	34	0.0	-35.98	284.89	8.97	-27.01
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1	REAL300012062449	0	51	0.0	-48.54	406.42	12.92	-35.62
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012062450	0	44	0.0	-37.78	362.31	10.44	-27.34
CCN(CC)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062451	0	48	0.0	-36.30	359.77	10.61	-25.69
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C=C1	REAL300012062452	0	34	0.0	-39.26	285.89	8.93	-30.33
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC(OC)=C1OC	REAL300012062453	0	46	0.0	-44.80	356.45	7.42	-37.38
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012062454	0	34	0.0	-34.24	293.07	9.29	-24.95
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012062455	0	47	0.0	-38.79	348.60	7.14	-31.65
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012062456	0	34	0.0	-40.95	291.40	9.24	-31.71
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012062457	0	34	0.0	-38.76	295.57	9.32	-29.44
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062458	0	55	0.0	-37.78	414.67	13.43	-24.35
CCCCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062459	0	47	0.0	-39.10	358.99	10.11	-28.99
CC(C)CCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062460	0	50	0.0	-38.99	376.56	10.63	-28.36
CCCCCCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062461	0	53	0.0	-39.06	401.99	11.67	-27.39
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012062462	0	45	0.0	-38.23	355.02	11.23	-27.00
CCCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(OCCC)=C1	REAL300012062463	0	54	0.0	-38.90	408.86	10.41	-28.49
CCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062464	0	45	0.0	-41.43	345.21	8.43	-33.00
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(OC)=C1OC	REAL300012062465	0	46	0.0	-46.18	351.63	7.34	-38.84
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012062466	0	52	0.0	-41.63	404.13	11.52	-30.11
COC1=CC=C(Br)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062467	0	38	0.0	-35.17	312.89	8.32	-26.85
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC(Br)=C1O	REAL300012062468	0	39	0.0	-41.84	325.27	6.08	-35.76
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012062469	0	44	0.0	-39.09	338.81	11.72	-27.37
COC1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012062470	0	44	0.0	-33.94	335.01	9.79	-24.15
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012062471	0	34	0.0	-32.09	292.72	9.12	-22.97
COC1=CC(OC)=C(OC)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062472	0	46	0.0	-40.73	351.39	6.85	-33.88
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1	REAL300012062473	0	56	0.0	-40.62	437.20	15.46	-25.16
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062474	0	44	0.0	-37.17	358.96	10.33	-26.84
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012062475	0	48	0.0	-37.54	375.87	11.60	-25.94
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1Br	REAL300012062476	0	34	0.0	-32.08	279.92	8.88	-23.20
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300012062477	0	41	0.0	-40.45	343.80	10.20	-30.25
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012062478	0	37	0.0	-41.33	305.89	7.53	-33.80
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1I	REAL300012062479	0	34	0.0	-31.27	283.19	9.24	-22.03
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012062480	0	42	0.0	-42.31	341.66	7.50	-34.81
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012062481	0	51	0.0	-42.58	386.66	11.60	-30.98
CN(CCC#N)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062482	0	46	0.0	-41.18	358.80	10.16	-31.02
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012062483	0	44	0.0	-37.01	344.74	10.06	-26.95
CCOC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1OC	REAL300012062484	0	45	0.0	-42.38	345.18	8.48	-33.90
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OCC(N)=O	REAL300012062485	0	46	0.0	-53.59	360.95	5.51	-48.08
CCNC(=O)COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062486	0	52	0.0	-50.04	405.36	7.75	-42.29
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC2=C1OCO2	REAL300012062487	0	41	0.0	-45.72	319.18	6.30	-39.42
COC1=CC2=C(C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-])OC(C)C2	REAL300012062488	0	46	0.0	-36.87	349.75	8.26	-28.61
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012062489	0	50	0.0	-52.59	394.04	5.30	-47.29
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012062490	0	46	0.0	-49.95	380.98	6.16	-43.79
CCN(C(C)=O)C1=NC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CS1	REAL300012062491	0	43	0.0	-37.34	341.20	8.14	-29.20
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(I)=C1	REAL300012062492	0	34	0.0	-35.59	291.38	9.45	-26.14
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(I)C=C1	REAL300012062493	0	34	0.0	-39.08	292.37	9.41	-29.67
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=CC(Br)=C1	REAL300012062494	0	34	0.0	-38.56	306.13	9.56	-29.00
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012062495	0	44	0.0	-47.70	359.74	9.13	-38.57
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062496	0	47	0.0	-35.86	352.64	12.14	-23.72
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062497	0	40	0.0	-46.77	325.33	5.82	-40.95
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012062498	0	44	0.0	-39.60	355.53	12.24	-27.36
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012062499	0	47	0.0	-38.89	367.64	9.95	-28.94
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C=N1	REAL300012062500	0	33	0.0	-34.48	279.97	7.14	-27.34
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012062501	0	43	0.0	-40.17	338.29	5.63	-34.54
CC1=NN(C)C2=NC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C12	REAL300012062502	0	42	0.0	-47.03	329.94	8.09	-38.94
CC(=O)N(C1=NC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300012062503	0	47	0.0	-41.75	388.79	11.08	-30.67
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012062504	0	37	0.0	-35.35	307.21	9.35	-26.00
CC1=CC=CN2C=C(COC3=CC=C(C[NH2+][C@@H]4CC=CC[C@@H]4C(=O)[O-])C=C3)N=C12	REAL300012062505	0	54	0.0	-44.89	423.02	12.71	-32.18
CCOCC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300012062506	0	48	0.0	-40.39	368.19	8.52	-31.87
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012062507	0	37	0.0	-34.97	301.76	7.80	-27.17
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012062508	0	43	0.0	-38.39	355.43	7.76	-30.63
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(C(F)(F)F)=CC=C1Br	REAL300012062509	0	37	0.0	-34.84	319.09	9.92	-24.92
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C=C1C(F)(F)F	REAL300012062510	0	37	0.0	-33.62	313.58	10.03	-23.59
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(F)C=CC=C1Br	REAL300012062511	0	34	0.0	-32.63	287.95	8.81	-23.82
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC=C1Br	REAL300012062512	0	31	0.0	-36.55	271.86	7.85	-28.70
CC(C)COC1=CC=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062513	0	47	0.0	-36.66	356.10	10.08	-26.58
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012062514	0	34	0.0	-39.37	291.40	9.03	-30.34
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(F)=C1Br	REAL300012062515	0	34	0.0	-41.39	285.51	8.92	-32.47
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(Br)=C1F	REAL300012062516	0	34	0.0	-43.23	289.68	8.98	-34.25
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C)=C1OC	REAL300012062517	0	45	0.0	-41.76	341.32	8.21	-33.55
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012062518	0	31	0.0	-40.72	284.64	8.35	-32.37
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012062519	0	33	0.0	-42.56	290.61	6.70	-35.86
CS(=O)(=O)C1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062520	0	40	0.0	-45.98	325.33	5.83	-40.15
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062521	0	44	0.0	-39.58	338.38	9.94	-29.64
CC1=NC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])N1C1=CC=CC=C1	REAL300012062522	0	44	0.0	-38.05	345.20	10.62	-27.43
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC2=CC=CC=C21	REAL300012062523	0	44	0.0	-40.07	339.08	9.92	-30.15
COC1=CC=CC2=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=CC=C12	REAL300012062524	0	44	0.0	-40.43	333.98	9.79	-30.64
CC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062525	0	44	0.0	-38.40	340.07	10.15	-28.25
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012062526	0	33	0.0	-41.05	289.87	6.62	-34.43
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012062527	0	41	0.0	-42.60	328.45	6.58	-36.02
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300012062528	0	38	0.0	-33.83	309.44	8.16	-25.67
CC1=CC(Br)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])S1	REAL300012062529	0	34	0.0	-35.27	296.16	8.75	-26.52
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062530	0	49	0.0	-44.88	374.30	11.02	-33.86
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062531	0	44	0.0	-31.62	353.82	11.01	-20.61
CN1C(=O)CCC2=CC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CC=C21	REAL300012062532	0	45	0.0	-44.48	339.38	9.23	-35.25
COC1=CC=CC(SC2=CC=CC=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062533	0	49	0.0	-42.67	387.49	11.49	-31.18
CC1=CC=C(OC(F)F)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062534	0	41	0.0	-37.94	322.81	8.64	-29.30
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012062535	0	40	0.0	-39.47	346.29	9.83	-29.64
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012062536	0	40	0.0	-38.64	333.22	9.30	-29.34
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062537	0	51	0.0	-35.90	387.68	11.81	-24.09
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012062538	0	45	0.0	-35.76	361.80	10.73	-25.03
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012062539	0	49	0.0	-47.49	390.32	8.70	-38.79
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012062540	0	39	0.0	-44.64	321.54	9.28	-35.36
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012062541	0	43	0.0	-37.92	336.99	9.00	-28.92
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012062542	0	40	0.0	-41.50	337.79	9.56	-31.94
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012062543	0	37	0.0	-40.54	312.31	7.40	-33.14
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012062544	0	34	0.0	-38.80	299.78	9.42	-29.38
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012062545	0	46	0.0	-38.68	373.05	10.85	-27.83
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC(F)(F)F)C(Br)=C1	REAL300012062546	0	38	0.0	-39.84	330.06	8.81	-31.03
CN1C=C(C2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2)C=N1	REAL300012062547	0	44	0.0	-41.49	344.76	9.60	-31.89
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012062548	0	45	0.0	-40.38	361.37	11.29	-29.09
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012062549	0	44	0.0	-46.24	349.50	9.58	-36.66
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012062550	0	45	0.0	-48.03	363.93	9.90	-38.13
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=N1	REAL300012062551	0	48	0.0	-38.88	373.59	11.57	-27.31
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012062552	0	41	0.0	-41.92	328.43	6.48	-35.44
CC1=CC=CC=C1N1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])N=N1	REAL300012062553	0	43	0.0	-37.97	332.33	8.92	-29.05
CN1N=C(Br)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062554	0	34	0.0	-44.91	286.84	6.36	-38.55
CN1C=C(C2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])S2)C=N1	REAL300012062555	0	41	0.0	-40.25	338.56	9.00	-31.25
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012062556	0	46	0.0	-43.25	343.59	9.17	-34.08
CCOC1=C(Cl)C=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062557	0	41	0.0	-41.30	330.97	9.22	-32.08
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012062558	0	34	0.0	-45.34	298.32	9.24	-36.10
COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062559	0	45	0.0	-41.60	350.25	8.67	-32.93
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012062560	0	38	0.0	-34.51	314.51	8.18	-26.33
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012062561	0	41	0.0	-40.33	327.14	9.25	-31.08
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2Br)C=C1	REAL300012062562	0	44	0.0	-38.00	361.19	12.35	-25.65
CC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012062563	0	47	0.0	-33.17	363.02	10.10	-23.07
CC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012062564	0	47	0.0	-43.34	358.48	9.81	-33.53
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012062565	0	44	0.0	-41.48	361.22	10.57	-30.91
CC1=CC(Br)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300012062566	0	37	0.0	-36.44	316.32	9.92	-26.52
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012062567	0	44	0.0	-39.35	363.88	10.27	-29.08
N#CCCN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012062568	0	47	0.0	-53.97	381.36	9.06	-44.91
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012062569	0	40	0.0	-39.16	324.31	11.73	-27.43
COC(=O)C1=C(C)N(C)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062570	0	44	0.0	-46.49	341.86	8.77	-37.72
COCCOCC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062571	0	48	0.0	-39.60	375.18	8.26	-31.34
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012062572	0	34	0.0	-40.76	284.57	8.27	-32.49
CC1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012062573	0	40	0.0	-35.68	335.10	10.87	-24.81
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012062574	0	48	0.0	-46.54	387.03	10.77	-35.77
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(F)C=C1I	REAL300012062575	0	34	0.0	-33.48	289.55	9.30	-24.18
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012062576	0	37	0.0	-45.85	303.28	7.45	-38.40
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])O1	REAL300012062577	0	44	0.0	-41.59	343.83	8.58	-33.01
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012062578	0	33	0.0	-34.67	291.78	7.56	-27.11
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(OC(F)F)=CC=C1Br	REAL300012062579	0	38	0.0	-35.40	319.19	8.44	-26.96
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])S2)C=C1C	REAL300012062580	0	46	0.0	-39.57	367.94	10.53	-29.04
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062581	0	44	0.0	-48.27	347.31	10.26	-38.01
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062582	0	44	0.0	-45.20	358.68	10.93	-34.27
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062583	0	44	0.0	-45.63	355.03	10.79	-34.84
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062584	0	47	0.0	-43.29	364.39	10.77	-32.52
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062585	0	44	0.0	-41.34	364.28	10.72	-30.62
COC1=CC(OC)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1F	REAL300012062586	0	42	0.0	-39.61	328.34	7.02	-32.59
COC1=CC(F)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062587	0	42	0.0	-37.53	327.84	7.54	-29.99
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300012062588	0	48	0.0	-38.82	386.00	11.83	-26.99
CC(C)(C)SC1=C(Br)C=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062589	0	47	0.0	-41.84	367.45	11.41	-30.43
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062590	0	47	0.0	-43.47	364.45	10.76	-32.71
CCCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C)=C1	REAL300012062591	0	47	0.0	-37.13	350.96	9.98	-27.15
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012062592	0	37	0.0	-37.68	312.68	9.48	-28.20
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012062593	0	42	0.0	-45.54	330.50	9.29	-36.25
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012062594	0	38	0.0	-41.67	307.85	8.05	-33.62
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012062595	0	38	0.0	-37.92	307.71	8.05	-29.87
CN1C=C(C2=NN(C)C=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=N1	REAL300012062596	0	44	0.0	-45.79	347.02	7.34	-38.45
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2C1	REAL300012062597	0	58	0.0	-42.76	430.44	11.47	-31.29
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012062598	0	40	0.0	-41.13	346.30	9.83	-31.30
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012062599	0	34	0.0	-39.41	295.15	8.44	-30.97
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012062600	0	34	0.0	-31.47	285.62	8.46	-23.01
CN(C)C1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=CC(F)=C1F	REAL300012062601	0	42	0.0	-41.92	323.11	8.41	-33.51
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C(Br)S1	REAL300012062602	0	38	0.0	-40.12	321.83	7.95	-32.17
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012062603	0	34	0.0	-34.88	288.67	8.82	-26.06
CC(C)OC1=CC(Cl)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300012062604	0	44	0.0	-38.45	362.57	10.13	-28.32
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012062605	0	46	0.0	-40.00	349.57	7.91	-32.09
CN(C)C1=CC(F)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1F	REAL300012062606	0	42	0.0	-40.84	331.03	7.85	-32.99
COC(=O)C1=C2CCCCN2C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062607	0	48	0.0	-46.10	366.33	10.03	-36.07
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012062608	0	41	0.0	-40.15	332.84	8.61	-31.54
C=CCOC1=C(Cl)C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062609	0	46	0.0	-41.29	377.15	9.71	-31.58
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC1CC1	REAL300012062610	0	46	0.0	-42.56	354.39	9.18	-33.38
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1I	REAL300012062611	0	34	0.0	-34.06	301.80	9.82	-24.24
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062612	0	37	0.0	-46.29	306.63	6.89	-39.40
COCC(C)OC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062613	0	48	0.0	-39.62	366.22	8.51	-31.11
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300012062614	0	51	0.0	-46.95	406.91	9.24	-37.71
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300012062615	0	48	0.0	-36.43	384.58	11.88	-24.55
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012062616	0	41	0.0	-39.87	331.91	10.92	-28.95
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012062617	0	47	0.0	-40.94	366.83	10.56	-30.38
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(C(F)(F)F)=C(Br)C=C1F	REAL300012062618	0	37	0.0	-37.48	323.46	9.87	-27.61
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012062619	0	41	0.0	-47.47	340.68	9.21	-38.26
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300012062620	0	43	0.0	-40.97	356.91	10.68	-30.29
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300012062621	0	50	0.0	-37.74	365.28	10.30	-27.44
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062622	0	42	0.0	-34.18	336.31	7.55	-26.63
CC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=NC=C1Br	REAL300012062623	0	36	0.0	-34.15	298.31	7.70	-26.45
CC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C(Br)C=C1F	REAL300012062624	0	37	0.0	-33.05	305.59	9.62	-23.43
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(O)C=CC=C1Br	REAL300012062625	0	35	0.0	-34.91	291.45	6.05	-28.86
CN1C=C(C2=NC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CS2)C=N1	REAL300012062626	0	40	0.0	-37.17	333.18	6.94	-30.23
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012062627	0	40	0.0	-40.07	323.92	8.21	-31.86
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012062628	0	40	0.0	-34.62	312.27	9.90	-24.72
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(Br)=N1	REAL300012062629	0	34	0.0	-37.45	288.01	6.58	-30.87
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=NC=C(Br)C=C1F	REAL300012062630	0	33	0.0	-34.76	285.32	7.15	-27.61
COC1=CC(Cl)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC	REAL300012062631	0	42	0.0	-36.49	335.16	7.96	-28.53
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012062632	0	40	0.0	-38.74	325.58	10.09	-28.65
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062633	0	54	0.0	-40.71	412.52	8.76	-31.95
CCOC(=O)C1=C(C)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C(C)N1	REAL300012062634	0	47	0.0	-38.57	364.89	8.70	-29.87
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(F)C=CC(C(F)(F)F)=C1Br	REAL300012062635	0	37	0.0	-35.62	321.04	9.72	-25.90
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012062636	0	44	0.0	-42.02	357.64	12.28	-29.74
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012062637	0	34	0.0	-47.86	297.04	8.99	-38.87
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Br)SC=C1	REAL300012062638	0	31	0.0	-31.72	271.70	7.99	-23.73
CCOC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C(F)C=C1OC	REAL300012062639	0	45	0.0	-37.38	349.61	8.46	-28.92
COC1=NC=C(Br)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062640	0	37	0.0	-38.14	310.52	5.71	-32.43
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CN=C1Br	REAL300012062641	0	33	0.0	-34.41	274.07	7.03	-27.38
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O	REAL300012062642	0	48	0.0	-46.83	383.91	7.93	-38.90
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C(F)C=C1Br	REAL300012062643	0	38	0.0	-37.07	319.03	8.29	-28.78
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012062644	0	34	0.0	-40.93	295.61	9.34	-31.59
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012062645	0	38	0.0	-45.58	315.71	8.24	-37.34
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062646	0	44	0.0	-37.14	338.90	9.30	-27.84
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012062647	0	48	0.0	-45.69	362.04	9.37	-36.32
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012062648	0	38	0.0	-37.14	308.29	7.91	-29.23
CC(C)(C)OC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062649	0	47	0.0	-35.08	344.02	9.50	-25.58
CC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C)=C1Br	REAL300012062650	0	40	0.0	-39.04	315.65	10.00	-29.04
CC1=CC=NC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1Br	REAL300012062651	0	36	0.0	-32.34	295.13	7.59	-24.75
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062652	0	51	0.0	-42.86	386.67	8.55	-34.31
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012062653	0	44	0.0	-45.94	356.84	9.60	-36.34
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1	REAL300012062656	0	44	0.0	-40.14	370.04	9.91	-30.23
CN1N=C2CCSCC2=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062657	0	42	0.0	-41.95	328.22	7.96	-33.99
CCN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012062658	0	47	0.0	-39.78	365.60	10.32	-29.46
COCC1=C(C)C=C(C)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1C	REAL300012062659	0	50	0.0	-35.02	364.99	9.54	-25.48
CC1=CC(OC2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300012062660	0	48	0.0	-42.75	394.35	12.36	-30.39
CCC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(Cl)=C1	REAL300012062661	0	51	0.0	-36.07	408.47	13.15	-22.92
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012062662	0	45	0.0	-42.05	373.71	11.66	-30.39
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062663	0	48	0.0	-35.96	392.22	12.44	-23.52
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1F	REAL300012062664	0	48	0.0	-41.72	397.01	12.44	-29.28
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(F)=C1	REAL300012062665	0	45	0.0	-41.89	380.07	11.72	-30.17
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062666	0	48	0.0	-37.87	388.78	12.37	-25.50
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1	REAL300012062667	0	45	0.0	-39.97	373.12	11.71	-28.26
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062668	0	51	0.0	-31.28	394.44	12.96	-18.32
CC1=C(Br)C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])S1	REAL300012062669	0	34	0.0	-36.15	295.23	8.81	-27.34
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012062670	0	44	0.0	-39.61	355.56	12.24	-27.37
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(F)=C1I	REAL300012062671	0	34	0.0	-39.97	290.67	9.35	-30.62
CCCOC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1C	REAL300012062672	0	47	0.0	-38.15	357.53	10.08	-28.07
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012062673	0	52	0.0	-42.08	402.55	11.04	-31.04
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1CN1C=CC=N1	REAL300012062674	0	48	0.0	-39.60	375.83	9.33	-30.27
CC1=CC=C(Br)C(F)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062675	0	37	0.0	-32.96	306.68	9.49	-23.47
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OC1=CC=C(Cl)C(Cl)=C1	REAL300012062676	0	45	0.0	-41.47	383.02	12.08	-29.39
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C)=C1	REAL300012062677	0	51	0.0	-40.19	408.45	13.01	-27.18
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062678	0	42	0.0	-45.79	319.45	9.89	-35.90
COC1=CC=C(CN2C=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])N=N2)C=C1	REAL300012062679	0	47	0.0	-40.73	371.35	8.00	-32.73
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(F)=C1OC	REAL300012062680	0	42	0.0	-47.47	332.68	7.64	-39.83
COC(=O)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(F)=C1	REAL300012062681	0	40	0.0	-39.38	323.76	9.00	-30.38
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012062682	0	44	0.0	-37.87	351.06	8.68	-29.19
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012062683	0	48	0.0	-38.44	375.88	11.58	-26.86
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012062684	0	41	0.0	-42.02	327.56	8.90	-33.12
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=C(Br)S1	REAL300012062685	0	31	0.0	-38.87	296.72	8.72	-30.15
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012062686	0	45	0.0	-41.52	380.06	11.72	-29.80
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1	REAL300012062687	0	45	0.0	-39.41	372.07	11.41	-28.00
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012062688	0	45	0.0	-37.10	383.62	12.18	-24.92
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062689	0	52	0.0	-40.56	404.27	11.77	-28.79
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012062690	0	45	0.0	-37.56	373.28	11.74	-25.82
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC(Cl)=C1	REAL300012062691	0	45	0.0	-38.81	385.50	12.20	-26.61
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012062692	0	45	0.0	-38.95	378.89	11.85	-27.10
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062693	0	49	0.0	-39.17	396.73	12.23	-26.94
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062694	0	50	0.0	-41.79	381.87	11.36	-30.43
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012062695	0	40	0.0	-35.61	346.12	9.61	-26.00
COC1=CC=C(C2=NC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CS2)C=C1	REAL300012062696	0	44	0.0	-36.51	358.83	8.41	-28.10
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062698	0	42	0.0	-48.48	341.91	4.92	-43.56
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062699	0	34	0.0	-37.64	298.04	7.59	-30.05
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062700	1	54	0.0	-36.67	383.54	10.45	-26.22
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1	REAL300012062701	0	48	0.0	-44.18	393.88	11.70	-32.48
CC1=NN2C(=NC(C)=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])S1	REAL300012062702	0	39	0.0	-43.35	319.78	7.50	-35.85
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])S1	REAL300012062703	0	45	0.0	-42.57	360.86	8.76	-33.81
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012062704	0	39	0.0	-33.92	318.38	9.24	-24.68
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012062705	0	34	0.0	-38.36	295.47	8.62	-29.74
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012062706	0	51	0.0	-44.98	398.70	9.15	-35.83
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012062707	0	36	0.0	-39.35	316.42	8.40	-30.95
CN(C)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C(F)(F)F)=C1	REAL300012062708	0	45	0.0	-32.26	344.76	9.83	-22.43
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062709	0	44	0.0	-38.59	345.27	10.96	-27.63
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062710	0	43	0.0	-37.90	354.80	9.90	-28.00
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012062711	0	53	0.0	-38.11	400.57	11.84	-26.27
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012062712	0	37	0.0	-37.00	323.42	9.68	-27.32
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1	REAL300012062713	0	40	0.0	-41.46	338.48	8.95	-32.51
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012062714	0	37	0.0	-36.09	311.80	9.46	-26.63
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062715	0	45	0.0	-40.01	349.67	9.73	-30.28
COCC1=CC=CC=C1C=C(C)C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062716	0	48	0.0	-38.25	362.06	9.94	-28.31
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062717	0	44	0.0	-43.74	337.11	9.13	-34.61
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012062718	0	43	0.0	-43.18	337.73	10.02	-33.16
COC1=CC=C(N2C=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=N2)C=C1	REAL300012062719	0	45	0.0	-41.34	351.99	8.86	-32.48
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062720	0	49	0.0	-37.50	386.38	11.71	-25.79
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012062721	0	36	0.0	-40.30	304.02	6.29	-34.01
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(N2CCCCC2)C(Br)=C1	REAL300012062722	0	49	0.0	-39.69	381.18	10.81	-28.88
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=NC=C1Br	REAL300012062723	0	33	0.0	-40.98	276.22	7.06	-33.92
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])S1	REAL300012062724	0	37	0.0	-45.97	317.68	5.00	-40.97
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012062725	0	54	0.0	-37.64	407.55	12.22	-25.42
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(F)=C1	REAL300012062726	0	39	0.0	-50.14	324.36	3.28	-46.86
CC1=C(Br)C=NC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062727	0	36	0.0	-39.73	293.00	7.65	-32.08
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062728	0	37	0.0	-35.94	302.27	6.88	-29.06
COC1=CC=C(C2=CC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300012062729	0	50	0.0	-46.59	397.54	7.38	-39.21
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012062730	0	45	0.0	-42.48	339.11	6.95	-35.53
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21	REAL300012062731	0	48	0.0	-39.20	383.55	11.43	-27.77
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012062732	0	44	0.0	-40.80	338.83	5.74	-35.06
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012062733	0	54	0.0	-40.90	404.63	7.16	-33.74
CC(C)(C)OC(=O)NC(C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-])CC(F)F	REAL300012062734	0	50	0.0	-47.58	374.88	7.14	-40.44
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012062735	0	44	0.0	-39.23	339.53	5.90	-33.33
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012062736	0	39	0.0	-44.71	312.02	8.75	-35.96
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062737	0	39	0.0	-48.05	318.83	3.26	-44.79
CN1C=CC(C2=NC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CS2)=N1	REAL300012062738	0	40	0.0	-39.17	334.22	6.78	-32.39
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300012062739	0	47	0.0	-40.05	351.79	9.24	-30.81
CC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1Br	REAL300012062740	0	37	0.0	-37.72	299.02	9.41	-28.31
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012062741	0	45	0.0	-41.33	358.56	11.24	-30.09
CN(C)C(=O)C1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062742	0	44	0.0	-39.19	332.91	8.05	-31.14
CC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C2CCCCC2=N1	REAL300012062743	0	46	0.0	-39.65	337.10	9.47	-30.18
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012062744	0	49	0.0	-34.46	356.04	10.28	-24.18
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012062745	0	33	0.0	-35.59	289.16	6.45	-29.14
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=CC=C1Br	REAL300012062746	0	34	0.0	-35.06	301.04	9.49	-25.57
COC(=O)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1C	REAL300012062747	0	43	0.0	-41.51	334.48	9.55	-31.96
CC1=C(Cl)C=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1Cl	REAL300012062748	0	37	0.0	-38.87	309.15	9.82	-29.05
CC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C(C)C=C1I	REAL300012062749	0	40	0.0	-37.96	324.72	10.54	-27.42
N#CC1=CC=C(Br)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062750	0	35	0.0	-37.12	299.68	9.30	-27.82
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062751	0	47	0.0	-44.49	367.01	9.85	-34.64
COC(=O)COC1=CC=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062752	0	44	0.0	-44.58	349.06	9.24	-35.34
CN(C)C(=O)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062753	0	44	0.0	-48.03	336.74	8.17	-39.86
CCNC(=O)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062754	0	44	0.0	-47.89	342.55	7.43	-40.46
COC1=CC=C2SC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CC2=C1	REAL300012062755	0	41	0.0	-37.61	330.62	9.19	-28.42
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062756	0	50	0.0	-49.02	375.85	10.03	-38.99
CCN1CCC2=CC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CC=C21	REAL300012062757	0	46	0.0	-36.98	342.82	8.96	-28.02
CCN(C)C(=O)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062758	0	47	0.0	-43.80	358.57	9.17	-34.63
CSC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300012062759	0	38	0.0	-38.21	318.88	9.82	-28.39
CC1=NN(C2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C(C)=C2)C=C1	REAL300012062760	0	47	0.0	-44.44	358.39	10.74	-33.70
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012062761	0	40	0.0	-41.08	335.79	10.18	-30.90
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062762	0	44	0.0	-42.80	353.60	10.65	-32.15
CCC1=CC(Br)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])S1	REAL300012062763	0	37	0.0	-35.07	317.65	9.54	-25.53
CC1=NN(C2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2)C=C1Cl	REAL300012062764	0	44	0.0	-44.97	361.55	10.58	-34.39
COC(=O)C1=CC2=C(C=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])O2)N1	REAL300012062765	0	41	0.0	-40.90	332.10	7.13	-33.77
CC(C)(C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012062766	0	43	0.0	-37.36	334.03	10.63	-26.73
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012062767	0	34	0.0	-38.53	301.72	9.47	-29.06
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C)=C1	REAL300012062768	0	50	0.0	-35.91	374.01	12.80	-23.11
COC1=CC=CC(C2=CSC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=N2)=C1	REAL300012062769	0	44	0.0	-42.36	357.18	8.36	-34.00
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062770	0	54	0.0	-41.93	412.54	8.76	-33.17
COC(=O)C1=C2COCCN2C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062771	0	46	0.0	-45.63	356.94	7.69	-37.94
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012062772	0	51	0.0	-48.24	380.68	10.27	-37.97
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062773	0	44	0.0	-42.21	334.06	11.33	-30.88
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012062774	0	37	0.0	-46.54	327.62	10.09	-36.45
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012062775	0	38	0.0	-43.01	319.69	7.17	-35.84
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300012062776	0	39	0.0	-48.84	335.01	3.80	-45.04
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012062777	0	44	0.0	-40.75	336.89	4.77	-35.98
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012062778	0	34	0.0	-31.71	296.68	9.20	-22.51
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012062779	0	34	0.0	-47.41	296.45	8.97	-38.44
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012062780	0	43	0.0	-39.79	342.77	8.67	-31.12
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])CC1	REAL300012062781	0	54	0.0	-41.02	388.34	9.33	-31.69
CC1=CC(Br)=CN=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062782	0	36	0.0	-39.54	296.84	7.63	-31.91
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012062783	0	40	0.0	-43.02	338.51	6.23	-36.79
CC1OC2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2C1C	REAL300012062784	0	45	0.0	-38.07	341.10	9.55	-28.52
CC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OC(F)F	REAL300012062785	0	41	0.0	-35.54	322.95	8.68	-26.86
CC1=NC(Cl)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1Br	REAL300012062786	0	36	0.0	-34.46	310.17	8.09	-26.37
CN1N=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1S(C)(=O)=O	REAL300012062787	0	40	0.0	-38.73	312.81	3.67	-35.06
CCOC1=CC(Br)=CC(F)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062788	0	41	0.0	-32.75	341.23	9.25	-23.50
CC1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])NN=C1C(F)(F)F	REAL300012062789	0	37	0.0	-44.05	300.17	6.17	-37.88
CS(=O)(=O)C1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=CS1	REAL300012062790	0	37	0.0	-43.84	308.49	5.17	-38.67
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2)O1	REAL300012062791	0	51	0.0	-46.14	413.53	10.49	-35.65
CC1=C(Br)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C(C)S1	REAL300012062792	0	37	0.0	-36.92	312.18	9.20	-27.72
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012062793	0	44	0.0	-44.36	350.48	9.51	-34.85
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012062794	0	38	0.0	-36.50	315.00	8.13	-28.37
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012062795	0	40	0.0	-38.26	335.83	10.19	-28.07
CC1=NC=CN1C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C)=C1	REAL300012062796	0	47	0.0	-42.79	357.92	11.42	-31.37
CC1=C(C)N(C2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2)C=N1	REAL300012062797	0	47	0.0	-45.40	363.18	11.94	-33.46
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012062798	0	48	0.0	-37.05	358.96	12.32	-24.73
CCNC(=O)C1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062800	0	44	0.0	-47.70	342.57	7.43	-40.27
CC1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012062801	0	40	0.0	-37.23	318.17	9.56	-27.67
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062802	0	44	0.0	-44.63	344.62	9.41	-35.22
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012062803	0	37	0.0	-36.91	321.45	10.48	-26.43
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC=CC=C2Br)=N1	REAL300012062804	0	44	0.0	-45.46	363.07	10.13	-35.33
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012062805	0	37	0.0	-38.18	306.82	7.38	-30.80
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012062806	0	44	0.0	-38.02	334.33	10.31	-27.71
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1	REAL300012062807	0	41	0.0	-42.30	341.28	8.80	-33.50
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300012062808	0	37	0.0	-47.89	301.26	7.08	-40.81
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062809	0	47	0.0	-47.55	379.19	11.10	-36.45
CCOC1=CC=C(Cl)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062810	0	41	0.0	-35.27	330.19	9.13	-26.14
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1	REAL300012062811	0	41	0.0	-46.29	342.33	8.75	-37.54
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012062812	0	41	0.0	-43.44	326.38	8.25	-35.19
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Br)C=CC=C1Br	REAL300012062813	0	34	0.0	-31.19	300.78	9.28	-21.91
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Br)C=CC=C1OC(F)F	REAL300012062814	0	38	0.0	-34.96	319.67	8.48	-26.48
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012062815	0	47	0.0	-37.88	349.25	9.36	-28.52
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012062816	0	41	0.0	-41.39	338.37	9.77	-31.62
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012062817	0	34	0.0	-33.83	295.55	9.03	-24.80
CN(CCO)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=N1	REAL300012062818	0	45	0.0	-41.29	344.18	5.88	-35.41
COC1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012062819	0	50	0.0	-37.96	358.05	10.01	-27.95
CN1C=C(Br)N=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062820	0	34	0.0	-47.00	285.97	7.18	-39.82
CC(C)(OCC1=CC=CC=C1)C1=CC=C(F)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062821	0	57	0.0	-34.30	434.76	13.11	-21.19
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012062822	0	40	0.0	-35.44	320.27	7.45	-27.99
CN1C(=O)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC2=CC=CC=C21	REAL300012062823	0	43	0.0	-33.91	330.15	9.13	-24.78
CC1=CC(C)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C)=C1Br	REAL300012062824	0	43	0.0	-34.64	333.09	10.48	-24.16
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012062825	0	41	0.0	-42.41	320.78	8.31	-34.10
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062826	0	44	0.0	-42.26	360.79	9.07	-33.19
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012062827	0	34	0.0	-35.70	290.26	8.88	-26.82
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062828	0	51	0.0	-41.70	386.70	8.56	-33.14
CC1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012062829	0	37	0.0	-32.40	304.42	8.13	-24.27
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012062830	0	40	0.0	-39.63	326.50	9.12	-30.51
CN1C=C(C2=NNC=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=N1	REAL300012062831	0	41	0.0	-38.35	324.31	6.04	-32.31
CCCN1N=C(C)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1Cl	REAL300012062832	0	43	0.0	-38.29	346.08	8.58	-29.71
CC(C)(C#N)C1=NC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])S1	REAL300012062833	0	40	0.0	-46.29	330.66	7.69	-38.60
COC1=CC=C(Br)C(F)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062834	0	38	0.0	-32.96	318.61	8.28	-24.68
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(F)C=C(C(F)(F)F)C=C1Br	REAL300012062835	0	37	0.0	-34.35	326.68	9.80	-24.55
N#CC1=CC(F)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300012062836	0	35	0.0	-37.05	308.73	9.19	-27.86
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012062837	0	41	0.0	-38.84	330.16	10.73	-28.11
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012062838	0	40	0.0	-40.63	322.22	10.94	-29.69
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012062839	0	34	0.0	-46.31	305.57	9.39	-36.92
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012062840	0	51	0.0	-35.51	373.24	11.18	-24.33
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012062841	0	45	0.0	-39.86	369.97	11.67	-28.19
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012062842	0	54	0.0	-36.50	393.60	11.84	-24.66
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012062843	0	48	0.0	-38.42	391.20	12.16	-26.26
COC1=CC=CC(OC2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2)=C1	REAL300012062844	0	49	0.0	-41.55	384.45	10.53	-31.02
CCN1CCCC2=CC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CC=C21	REAL300012062845	0	49	0.0	-36.24	350.46	9.32	-26.92
COCC1=CN=C(OC)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062846	0	44	0.0	-36.71	344.53	4.83	-31.88
CN1N=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1Br	REAL300012062847	0	34	0.0	-38.44	287.28	6.51	-31.93
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062848	0	49	0.0	-42.12	383.80	11.08	-31.04
COC1=C(Br)C=CC(F)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062849	0	38	0.0	-34.68	318.67	8.41	-26.27
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012062850	0	47	0.0	-38.41	373.67	13.01	-25.40
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Br)C=CC=C1OC(F)(F)F	REAL300012062851	0	38	0.0	-32.89	327.28	8.64	-24.25
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012062852	0	38	0.0	-39.17	321.01	9.77	-29.40
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300012062853	0	48	0.0	-40.78	392.61	12.11	-28.67
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012062854	0	47	0.0	-39.85	356.72	9.01	-30.84
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C=C1OC(F)F	REAL300012062855	0	38	0.0	-41.96	323.73	8.55	-33.41
CC1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012062856	0	40	0.0	-36.21	325.15	10.44	-25.77
COC1=CC=C(F)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1OC	REAL300012062857	0	42	0.0	-35.87	328.85	7.57	-28.30
COC1=CC(OC)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C2=NC(Cl)=CC=C12	REAL300012062858	0	47	0.0	-38.12	377.73	8.00	-30.12
CN1C=CC(C2=NNC=C2C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=N1	REAL300012062859	0	41	0.0	-42.09	322.08	6.26	-35.83
CC1=CC=C(F)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1Br	REAL300012062860	0	37	0.0	-31.41	305.04	9.41	-22.00
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012062861	0	57	0.0	-36.72	416.75	12.58	-24.14
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012062862	0	48	0.0	-35.30	363.00	10.69	-24.61
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OCCO	REAL300012062863	0	46	0.0	-44.65	356.58	5.35	-39.30
COC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1OCCO	REAL300012062864	0	46	0.0	-43.38	355.60	5.39	-37.99
CN1C=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012062865	0	44	0.0	-49.90	349.29	7.25	-42.65
COC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012062866	0	53	0.0	-44.14	402.29	8.94	-35.20
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012062867	0	37	0.0	-35.71	298.56	9.39	-26.32
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012062868	0	41	0.0	-35.79	338.36	9.11	-26.68
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012062869	0	43	0.0	-42.67	361.86	10.04	-32.63
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012062870	0	37	0.0	-32.55	307.80	7.49	-25.06
CS(=O)(=O)C1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])SC=C1	REAL300012062871	0	37	0.0	-42.99	306.39	4.93	-38.06
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012062872	0	37	0.0	-44.08	308.84	9.32	-34.76
CC(C)OC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1F	REAL300012062873	0	44	0.0	-39.52	339.18	9.28	-30.24
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012062874	0	34	0.0	-47.41	292.19	8.87	-38.54
CS(=O)(=O)C1=CSC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062875	0	37	0.0	-44.03	316.76	4.90	-39.13
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012062876	0	41	0.0	-41.37	339.23	10.09	-31.28
CC1=NN(C2CCCC2)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062877	0	47	0.0	-41.59	352.77	9.38	-32.21
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Br)C=C(C(F)(F)F)S1	REAL300012062878	0	34	0.0	-37.79	314.91	9.15	-28.64
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012062879	0	42	0.0	-38.43	343.92	10.00	-28.43
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062880	0	44	0.0	-38.55	343.97	8.99	-29.56
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012062881	0	37	0.0	-34.87	306.27	9.76	-25.11
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012062882	0	34	0.0	-33.96	302.20	9.33	-24.63
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012062883	0	41	0.0	-41.74	328.91	9.64	-32.10
COC1=NC(C)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C)=C1Cl	REAL300012062884	0	43	0.0	-40.83	339.01	6.54	-34.29
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062885	0	43	0.0	-39.02	339.53	8.64	-30.38
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062886	0	50	0.0	-40.79	369.62	9.89	-30.90
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012062887	0	45	0.0	-40.56	339.11	7.02	-33.54
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062888	0	48	0.0	-40.72	359.60	7.54	-33.18
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012062889	0	39	0.0	-37.08	324.77	9.47	-27.61
NS(=O)(=O)C1=CSC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062890	0	36	0.0	-44.55	310.34	2.30	-42.25
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012062891	0	33	0.0	-33.56	289.52	7.43	-26.13
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012062892	0	49	0.0	-46.04	371.55	7.83	-38.21
CC1=NN(C2CCCC2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062893	0	47	0.0	-40.57	350.63	9.27	-31.30
CC1=CC(Br)=C(F)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062894	0	37	0.0	-34.89	311.20	9.61	-25.28
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012062895	0	34	0.0	-46.24	305.73	9.39	-36.85
COC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1Br	REAL300012062896	0	38	0.0	-39.90	308.41	8.23	-31.67
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012062897	0	34	0.0	-48.01	292.62	8.89	-39.12
CN1C=C(C2=CC=CC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=C2)C=N1	REAL300012062898	0	44	0.0	-41.92	343.58	9.62	-32.30
COC1=CC(F)=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1Br	REAL300012062899	0	38	0.0	-40.17	320.05	8.28	-31.89
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012062900	0	44	0.0	-52.83	351.17	10.72	-42.11
CC1=CC=C(Br)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062901	0	37	0.0	-34.43	299.44	9.58	-24.85
COC1=NC2=CC=C(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])C=C2S1	REAL300012062902	0	40	0.0	-42.68	329.02	6.13	-36.55
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=NC(Br)=C1	REAL300012062903	0	33	0.0	-41.57	280.95	7.04	-34.53
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012062904	0	34	0.0	-35.22	298.00	9.30	-25.92
CC(C)(C)COC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062905	0	50	0.0	-36.09	376.40	10.65	-25.44
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012062906	0	34	0.0	-35.92	306.58	9.45	-26.47
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012062907	0	37	0.0	-47.43	315.25	9.71	-37.72
CN1N=CC=C1C1=NNC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062908	0	41	0.0	-50.41	326.19	5.92	-44.49
COC(=O)C1=C(C)NC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1C	REAL300012062909	0	44	0.0	-45.85	347.27	8.02	-37.83
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+][C@@H]3CC=CC[C@@H]3C(=O)[O-])=CC=C2C1	REAL300012062910	0	58	0.0	-42.02	429.40	11.54	-30.48
CC1=CC(Br)=CC(C)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062911	0	40	0.0	-36.38	318.00	10.00	-26.38
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012062912	0	35	0.0	-38.24	296.93	6.07	-32.17
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012062913	0	37	0.0	-33.14	303.77	7.42	-25.72
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012062914	0	50	0.0	-36.33	366.40	12.11	-24.22
CC1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])SC(Br)=C1	REAL300012062915	0	34	0.0	-35.12	295.02	8.73	-26.39
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012062916	0	42	0.0	-42.98	332.70	8.68	-34.30
CCCN1N=C(C)C(Cl)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062917	0	43	0.0	-35.42	347.00	8.56	-26.86
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062918	0	46	0.0	-37.04	362.75	10.40	-26.64
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062919	0	41	0.0	-46.33	327.88	7.58	-38.75
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012062920	0	47	0.0	-37.78	367.39	12.76	-25.02
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CC(Cl)=C1Br	REAL300012062921	0	34	0.0	-34.07	311.55	9.83	-24.24
CCCCC(=O)NC1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1	REAL300012062922	0	50	0.0	-44.66	384.26	9.56	-35.10
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CSC(Br)=C1Br	REAL300012062923	0	31	0.0	-40.87	293.38	8.48	-32.39
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(Br)=C1Br	REAL300012062924	0	34	0.0	-40.23	298.77	9.43	-30.80
CCN(C)C1=CC=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C(C)=C1	REAL300012062925	0	48	0.0	-34.80	351.41	10.31	-24.49
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012062926	0	33	0.0	-34.30	290.80	7.53	-26.77
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012062927	0	31	0.0	-38.98	286.00	8.32	-30.66
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062928	0	55	0.0	-38.63	393.15	10.46	-28.17
COC1=CC(C)=CC(OC)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062929	0	45	0.0	-31.98	341.24	7.72	-24.26
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012062930	0	38	0.0	-40.12	325.68	8.70	-31.42
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012062931	0	44	0.0	-42.32	352.74	11.13	-31.19
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012062932	0	43	0.0	-41.61	334.01	9.97	-31.64
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1	REAL300012062933	0	56	0.0	-39.67	423.51	13.22	-26.45
CC1=CC=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1C(F)(F)F	REAL300012062934	0	40	0.0	-41.56	307.25	9.76	-31.80
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(C(F)(F)F)C=C1Br	REAL300012062935	0	37	0.0	-41.75	319.57	9.83	-31.92
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012062936	0	36	0.0	-41.43	308.56	7.62	-33.81
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012062937	0	39	0.0	-46.14	330.28	8.64	-37.50
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012062938	0	41	0.0	-36.79	325.53	6.96	-29.83
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012062939	0	37	0.0	-37.52	323.30	10.47	-27.05
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062940	0	47	0.0	-44.95	366.14	10.92	-34.03
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(Br)C=C1Br	REAL300012062941	0	34	0.0	-33.86	301.23	9.50	-24.36
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012062942	0	34	0.0	-36.51	296.68	9.02	-27.49
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012062943	0	34	0.0	-41.11	306.27	9.39	-31.72
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012062944	0	36	0.0	-47.87	314.12	9.60	-38.27
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062945	0	41	0.0	-39.46	325.11	10.22	-29.24
COC1=C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])C=CC(Br)=C1F	REAL300012062946	0	38	0.0	-46.44	320.86	8.35	-38.09
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012062947	0	37	0.0	-47.14	308.01	9.32	-37.82
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062948	0	52	0.0	-39.05	388.64	9.98	-29.07
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012062949	0	40	0.0	-38.95	329.15	11.09	-27.86
COC1=C2C=CNC2=CC=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062950	0	42	0.0	-42.39	326.15	7.81	-34.58
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012062951	0	47	0.0	-39.58	351.09	5.28	-34.30
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=C(CN2C=C(Br)C=N2)C=C1	REAL300012062952	0	44	0.0	-40.93	370.07	10.57	-30.36
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=C(F)C=C(I)C=C1F	REAL300012062953	0	34	0.0	-33.71	302.03	9.50	-24.21
COC1=CC=C(OC)C(OC)=C1C[NH2+][C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300012062954	0	46	0.0	-37.55	353.21	6.94	-30.61
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012062955	0	51	0.0	-44.02	371.57	10.42	-33.60
O=C([O-])[C@H]1CC=CC[C@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012062956	0	48	0.0	-36.47	378.11	11.81	-24.66
CC1=CC(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012062957	0	43	0.0	-45.49	336.69	9.64	-35.85
COC1=CC=C(Br)C(C[NH2+][C@@H]2CC=CC[C@@H]2C(=O)[O-])=C1O	REAL300012062958	0	39	0.0	-35.65	321.53	5.96	-29.69
CC1=CC=C(N2C=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C(C(C)(C)C)=N2)C=C1	REAL300012062959	0	53	0.0	-61.55	408.70	11.99	-49.56
CC1=NN(C2=CC=CC(C(F)(F)F)=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012062960	0	44	0.0	-63.12	391.92	10.81	-52.31
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCC1=CC=CC=C1	REAL300012062961	0	49	0.0	-67.16	400.59	11.00	-56.16
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012062962	0	41	0.0	-64.30	360.49	9.92	-54.38
COC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012062963	0	52	0.0	-63.56	424.53	11.69	-51.87
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=CC=C3)N=C1C1=CC=CC=C1)C2	REAL300012062964	0	48	0.0	-67.71	395.27	12.42	-55.29
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012062965	0	49	0.0	-66.75	417.32	11.52	-55.23
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCC1=CC=C(F)C=C1	REAL300012062966	0	49	0.0	-67.32	407.00	11.07	-56.25
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2)C=C1	REAL300012062967	0	49	0.0	-69.08	400.97	9.15	-59.93
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(NC(=O)C3=CC=CC=C3Cl)=CC=C1)C2	REAL300012062968	0	45	0.0	-72.97	384.40	10.35	-62.62
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCC(=O)N1CCOCC1	REAL300012062969	0	54	0.0	-75.65	429.71	8.05	-67.60
N#CCCN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC=CC=C2)=N1	REAL300012062970	0	45	0.0	-65.83	381.85	10.37	-55.46
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC(F)F	REAL300012062971	0	39	0.0	-68.37	328.58	7.31	-61.06
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=CC=C3)N=C1C1=CC=CC(Cl)=C1)C2	REAL300012062972	0	48	0.0	-70.77	412.26	12.94	-57.83
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=CC=C3)N=C1C1=CC=CN=C1)C2	REAL300012062973	0	47	0.0	-66.83	389.99	10.65	-56.18
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=CC=C3)N=C1C1=CC=C(Cl)C=C1)C2	REAL300012062974	0	48	0.0	-64.33	411.80	12.93	-51.40
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=C(Br)C=C3)O1)C2	REAL300012062975	0	38	0.0	-65.40	341.62	10.36	-55.04
CCOC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(Br)=C1OC	REAL300012062976	0	42	0.0	-66.79	365.03	8.70	-58.09
CCOC1=C(Br)C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300012062977	0	42	0.0	-66.97	365.04	8.73	-58.24
C=CCOC1=C(Br)C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300012062978	0	43	0.0	-67.37	377.94	9.31	-58.06
C=CCOC1=C(Br)C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCC	REAL300012062979	0	46	0.0	-67.12	399.79	10.23	-56.89
CCCOC1=C(Br)C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300012062980	0	45	0.0	-66.92	386.53	9.53	-57.39
CCCOC1=C(Br)C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCC	REAL300012062981	0	48	0.0	-66.72	408.38	10.46	-56.26
CCCOC1=CC=C(Br)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012062982	0	41	0.0	-56.61	352.52	9.56	-47.05
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1)C2	REAL300012062983	0	45	0.0	-53.87	369.72	11.19	-42.68
CCCCCOC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012062984	0	47	0.0	-62.01	375.95	10.42	-51.59
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O1)C2	REAL300012062985	0	40	0.0	-73.50	348.52	10.39	-63.11
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O1)C2	REAL300012062986	0	40	0.0	-71.54	348.51	10.39	-61.15
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300012062987	0	35	0.0	-67.15	310.00	7.79	-59.36
CCCCOC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300012062988	0	48	0.0	-65.43	383.67	9.53	-55.90
CCCOC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300012062989	0	45	0.0	-65.41	362.18	8.75	-56.66
C=CCOC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300012062990	0	43	0.0	-65.91	353.58	8.53	-57.38
CCCCCCOC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300012062991	0	54	0.0	-65.26	426.67	11.09	-54.17
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=C(Cl)C=C3)O1)C2	REAL300012062992	0	38	0.0	-65.29	337.05	10.24	-55.05
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC=C3Cl)O1)C2	REAL300012062993	0	38	0.0	-64.57	337.21	10.29	-54.28
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC(Br)=C3)O1)C2	REAL300012062994	0	38	0.0	-64.54	341.63	10.34	-54.20
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=C(Cl)C=C3)S1)C2	REAL300012062995	0	38	0.0	-63.74	344.65	11.14	-52.60
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(OC)=C1OCC1=CC=CC=C1	REAL300012062996	0	53	0.0	-70.65	433.77	10.93	-59.72
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC=C3[N+](=O)[O-])O1)C2	REAL300012062997	0	40	0.0	-70.08	344.47	11.01	-59.07
CN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012062998	0	50	0.0	-65.91	402.38	8.95	-56.96
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CSC(C3=CC=C(F)C=C3)=N1)C2	REAL300012062999	0	37	0.0	-64.42	331.34	8.69	-55.73
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OC(F)(F)F)C2	REAL300012063000	0	35	0.0	-56.27	304.75	7.69	-48.58
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(SC(F)(F)F)C=C1)C2	REAL300012063001	0	35	0.0	-65.82	316.49	9.29	-56.53
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C([N+](=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012063002	0	51	0.0	-60.22	420.03	11.58	-48.64
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C([N+](=O)[O-])C=C1O	REAL300012063003	0	38	0.0	-59.82	319.79	5.53	-54.29
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC(F)(F)F)C=C1)C2	REAL300012063004	0	35	0.0	-65.57	306.09	7.62	-57.95
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S1)C2	REAL300012063005	0	40	0.0	-70.15	355.83	11.29	-58.86
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC=C3[N+](=O)[O-])S1)C2	REAL300012063006	0	40	0.0	-70.60	352.91	11.19	-59.41
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CNN=C1C1=CC=C(F)C=C1)C2	REAL300012063007	0	38	0.0	-70.61	322.86	7.78	-62.83
COC1=CC=C(C2=NNC=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063008	0	42	0.0	-62.02	345.59	6.99	-55.03
CCOC1=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=NN1CC(C)C	REAL300012063009	0	50	0.0	-58.82	387.07	7.94	-50.88
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CNN=C1C1=CC=C3OCCOC3=C1)C2	REAL300012063010	0	44	0.0	-72.36	360.80	6.85	-65.51
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OCC3CCCO3)C=C1)C2	REAL300012063011	0	46	0.0	-64.32	368.51	8.53	-55.79
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=C(F)C=C3)S1)C2	REAL300012063012	0	38	0.0	-64.25	334.33	10.68	-53.57
CC1=CC=CC(C2=NN(C3=CC=C(F)C=C3)C=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063013	0	51	0.0	-69.67	423.36	13.15	-56.52
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1)C2	REAL300012063014	0	44	0.0	-59.25	362.75	9.48	-49.77
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=C(Br)C=C3)S1)C2	REAL300012063015	0	38	0.0	-64.02	348.94	11.25	-52.77
CC(C)N1N=CC2=CC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C(Cl)N=C21	REAL300012063016	0	42	0.0	-71.41	358.98	8.93	-62.48
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC=C3Cl)S1)C2	REAL300012063017	0	38	0.0	-62.30	344.84	11.14	-51.16
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCC1=CC=NC=C1	REAL300012063018	0	48	0.0	-68.69	395.47	9.23	-59.46
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC=C3F)S1)C2	REAL300012063019	0	38	0.0	-63.02	337.28	10.79	-52.23
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC=C3Br)S1)C2	REAL300012063020	0	38	0.0	-62.40	348.43	11.20	-51.20
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C2	REAL300012063021	0	34	0.0	-61.31	310.71	9.33	-51.98
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C2	REAL300012063022	0	34	0.0	-68.65	304.11	8.88	-59.77
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(F)C=C1C(F)(F)F)C2	REAL300012063023	0	34	0.0	-62.48	295.01	8.95	-53.53
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C2	REAL300012063024	0	34	0.0	-68.40	305.56	8.90	-59.50
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(C(F)(F)F)=CC=C1F)C2	REAL300012063025	0	34	0.0	-63.10	303.37	8.91	-54.19
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Cl)=C1OC	REAL300012063026	0	39	0.0	-58.54	334.45	7.62	-50.92
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063027	0	47	0.0	-59.44	395.14	11.12	-48.32
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC(Br)=C3)S1)C2	REAL300012063028	0	38	0.0	-64.78	348.91	11.24	-53.54
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=CC=C1OC(F)F)C2	REAL300012063029	0	35	0.0	-61.68	314.33	8.00	-53.68
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC(Cl)=C3)S1)C2	REAL300012063030	0	38	0.0	-64.80	344.35	11.13	-53.67
N#CC1=CC=CC(COC2=CC=CC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2)=C1	REAL300012063031	0	46	0.0	-65.29	391.92	11.50	-53.79
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CNN=C1C1=CC=C3OCOC3=C1)C2	REAL300012063032	0	41	0.0	-61.46	342.28	6.35	-55.11
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCC(F)(F)F	REAL300012063033	0	42	0.0	-68.38	360.25	8.41	-59.97
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OCC3=CC=NC=C3)C=C1)C2	REAL300012063034	0	44	0.0	-65.36	366.24	9.33	-56.03
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=C3OCCOC3=C1)C2	REAL300012063035	0	37	0.0	-67.13	324.63	7.65	-59.48
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=C3OCCCOC3=C1)C2	REAL300012063036	0	40	0.0	-68.00	343.38	8.42	-59.58
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(N3C=CC(C(F)(F)F)=N3)C=C1)C2	REAL300012063037	0	41	0.0	-68.85	359.83	10.03	-58.82
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CSC(C3=CC=CC=N3)=N1)C2	REAL300012063038	0	36	0.0	-67.92	320.34	6.76	-61.16
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300012063039	0	47	0.0	-73.07	378.21	7.76	-65.31
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C2	REAL300012063040	0	38	0.0	-65.70	330.71	8.52	-57.18
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(Br)=C1OC(F)F	REAL300012063041	0	39	0.0	-68.60	350.59	8.06	-60.54
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OC3CCCC3)=C1)C2	REAL300012063042	0	45	0.0	-62.33	354.19	10.03	-52.30
CN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012063043	0	44	0.0	-57.85	368.60	9.86	-47.99
CC1=CC=C(C2=NC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CS2)C=C1	REAL300012063044	0	40	0.0	-63.26	346.33	9.30	-53.96
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OCC3=CC=CC=C3F)=C1)C2	REAL300012063045	0	45	0.0	-63.87	374.77	11.28	-52.59
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CSC(COC3=CC=CC=C3)=N1)C2	REAL300012063046	0	41	0.0	-66.16	356.24	8.15	-58.01
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CSC(C3=CC=C(C(F)(F)F)C=C3)=N1)C2	REAL300012063047	0	40	0.0	-65.22	363.63	9.63	-55.59
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CSC(COC3=CC=C(Cl)C=C3)=N1)C2	REAL300012063048	0	41	0.0	-66.10	372.97	8.66	-57.44
CC1=CC=C(OCC2=NC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CS2)C=C1	REAL300012063049	0	44	0.0	-66.24	377.64	8.83	-57.41
COC1=CC=C(OCC2=NC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CS2)C=C1	REAL300012063050	0	45	0.0	-67.61	385.74	7.43	-60.18
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CSC(C3=CSC=C3)=N1)C2	REAL300012063051	0	34	0.0	-63.07	315.96	7.56	-55.51
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC(F)=C3)S1)C2	REAL300012063052	0	38	0.0	-65.83	334.03	10.69	-55.14
CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063053	0	45	0.0	-56.61	366.55	8.71	-47.90
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C([N+](=O)[O-])C=C1OCC(F)(F)F	REAL300012063054	0	44	0.0	-61.92	379.70	8.99	-52.93
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OC1CCCC1)C2	REAL300012063055	0	45	0.0	-53.75	352.50	10.10	-43.65
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063056	0	48	0.0	-61.23	391.92	8.76	-52.47
CC1=CC=C(C2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1	REAL300012063057	0	41	0.0	-63.10	349.05	11.30	-51.80
COC1=CC(OC2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)=CC(OC)=C1	REAL300012063058	0	50	0.0	-66.68	409.50	9.37	-57.31
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F)C2	REAL300012063059	0	37	0.0	-70.44	325.88	8.14	-62.30
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063060	0	35	0.0	-60.12	322.34	8.27	-51.85
CCOCCOC1=CC=C(Br)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063061	0	45	0.0	-56.74	386.50	8.98	-47.76
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=CC=C1Cl)C2	REAL300012063062	0	31	0.0	-56.29	294.11	8.89	-47.40
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=CC=C1Br)C2	REAL300012063063	0	31	0.0	-55.38	293.12	8.89	-46.49
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC3=CC(F)=CC(F)=C3)C=C1)C2	REAL300012063064	0	42	0.0	-64.13	363.35	10.89	-53.24
CCOC1=C(OC)C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300012063065	0	46	0.0	-69.47	373.86	7.89	-61.58
COCCCOC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063066	0	45	0.0	-61.62	366.31	7.93	-53.69
COC1=CC=C(OC(F)F)C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063067	0	39	0.0	-61.00	327.14	6.75	-54.25
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(Br)=C1OC(F)F)C2	REAL300012063068	0	35	0.0	-58.49	315.56	8.07	-50.42
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Cl)C=CC=C1OC(F)F)C2	REAL300012063069	0	35	0.0	-57.52	311.76	7.88	-49.64
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OCCCC3=CC=CC=C3)=C1)C2	REAL300012063070	0	51	0.0	-64.42	414.04	12.66	-51.76
CC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC1=CC=CN=C1	REAL300012063071	0	44	0.0	-65.31	364.36	9.67	-55.64
O=C(COC1=CC=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)NCC1CC1	REAL300012063072	0	49	0.0	-56.30	401.40	9.13	-47.17
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1	REAL300012063073	0	40	0.0	-63.81	346.20	9.54	-54.27
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=CC3=CC=CN=C31)C2	REAL300012063074	0	36	0.0	-55.82	316.30	8.87	-46.95
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Cl)C3=CC=CN=C13)C2	REAL300012063075	0	36	0.0	-56.71	314.09	8.79	-47.92
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=C(F)C=CC=C3F)O1)C2	REAL300012063076	0	38	0.0	-66.00	334.82	9.89	-56.11
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300012063077	0	41	0.0	-65.46	347.25	10.47	-54.99
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)O2)C=C1	REAL300012063078	0	44	0.0	-64.34	363.21	11.17	-53.17
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(OC(F)F)=C1	REAL300012063079	0	39	0.0	-62.29	327.16	6.77	-55.52
CC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300012063080	0	34	0.0	-61.11	299.57	9.01	-52.10
CC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Br	REAL300012063081	0	34	0.0	-63.85	299.28	9.02	-54.83
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)O2)C=C1	REAL300012063082	0	50	0.0	-64.08	396.44	12.04	-52.04
CC1=CC=C(C)C(OC2=CC=CC(Cl)=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300012063083	0	51	0.0	-52.67	419.85	13.10	-39.57
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063084	0	51	0.0	-57.13	395.45	10.98	-46.15
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063085	0	51	0.0	-57.04	400.44	10.97	-46.07
CC1=CC=CC(COC2=C(C)C=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2C)=C1	REAL300012063086	0	54	0.0	-64.25	434.53	13.29	-50.96
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300012063087	0	54	0.0	-64.28	429.35	13.31	-50.97
CC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300012063088	0	51	0.0	-63.54	428.62	13.33	-50.21
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063089	0	49	0.0	-63.68	394.85	12.59	-51.09
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063090	0	47	0.0	-66.66	398.84	10.97	-55.69
CCN(CC)C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300012063091	0	45	0.0	-66.94	360.54	9.00	-57.94
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(SC)C=C1OC	REAL300012063092	0	43	0.0	-58.34	354.17	7.98	-50.36
COC1=CC=C2N=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)SC2=C1	REAL300012063093	0	37	0.0	-62.33	321.75	6.65	-55.68
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063094	0	37	0.0	-63.15	322.91	8.70	-54.45
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C2	REAL300012063095	0	35	0.0	-69.24	305.56	7.47	-61.77
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(Cl)=C1OC	REAL300012063096	0	39	0.0	-67.38	338.80	7.67	-59.71
CCOC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC(C)C(=O)N(C)C	REAL300012063097	0	55	0.0	-75.57	431.85	9.67	-65.90
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=CC=C1OC(F)F)C2	REAL300012063098	0	35	0.0	-61.70	318.92	8.10	-53.60
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063099	0	47	0.0	-58.92	400.04	10.99	-47.93
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCC(C)C	REAL300012063100	0	48	0.0	-65.23	382.28	9.43	-55.80
CCCOC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC	REAL300012063101	0	45	0.0	-65.45	362.18	8.75	-56.70
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Br)S1)C2	REAL300012063102	0	28	0.0	-63.96	271.68	7.68	-56.28
CCOC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(Cl)=C1OC	REAL300012063103	0	42	0.0	-67.14	360.66	8.59	-58.55
COC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1OC(C)C	REAL300012063104	0	45	0.0	-57.03	358.13	8.87	-48.16
CCOC1=C(Cl)C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300012063105	0	42	0.0	-67.28	360.66	8.62	-58.66
CCCOC1=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=CC=C1OCC	REAL300012063106	0	48	0.0	-62.51	384.81	9.83	-52.68
CCCCOC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC	REAL300012063107	0	48	0.0	-65.60	383.67	9.53	-56.07
CCCOC1=C(Cl)C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCC	REAL300012063108	0	48	0.0	-66.99	404.01	10.35	-56.64
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063109	0	47	0.0	-59.38	394.91	11.43	-47.95
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC(F)F	REAL300012063110	0	39	0.0	-67.12	328.58	7.32	-59.80
CCOC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC(F)F	REAL300012063111	0	42	0.0	-68.25	350.43	8.23	-60.02
CC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(C)=C1OC(F)F	REAL300012063112	0	41	0.0	-64.54	338.65	8.89	-55.65
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CSC(C3=CC=CC(Br)=C3)=N1)C2	REAL300012063113	0	37	0.0	-65.15	346.22	9.24	-55.91
CC1=CC=C(C2=NN(C3=CC=C(F)C=C3)C=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063114	0	51	0.0	-63.86	422.88	13.14	-50.72
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCC1=CC=C([N+](=O)[O-])C=C1	REAL300012063115	0	51	0.0	-70.86	428.81	11.67	-59.19
CCOC1=CC2=C(C=C1C[NH2+][C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)OC(C)C2	REAL300012063116	0	46	0.0	-56.95	367.05	8.72	-48.23
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC2=C1OCCO2	REAL300012063117	0	41	0.0	-67.10	333.78	6.84	-60.26
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=NC4=CC=CC=C4S3)O1)C2	REAL300012063118	0	40	0.0	-72.15	354.58	9.27	-62.88
CCCCN1N=C(C)C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300012063119	0	43	0.0	-58.00	362.74	8.88	-49.12
CCOC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1OC(F)F	REAL300012063120	0	42	0.0	-58.35	348.71	8.41	-49.94
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1)C2	REAL300012063121	0	49	0.0	-56.18	394.26	10.01	-46.17
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300012063122	0	54	0.0	-62.51	433.62	13.61	-48.90
CC1=CC=CC(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063123	0	54	0.0	-60.97	442.03	13.53	-47.44
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(CC3=CC=CC=C3)N=C1C1=CC=CC=C1)C2	REAL300012063124	0	51	0.0	-61.66	420.88	12.87	-48.79
CCCOC1=C(Cl)C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300012063125	0	45	0.0	-67.20	382.16	9.42	-57.78
CC1=CC=C(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063126	0	54	0.0	-67.68	442.06	13.56	-54.12
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063127	0	53	0.0	-59.84	410.17	11.86	-47.98
CC(C)(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063128	0	50	0.0	-56.88	399.74	11.43	-45.45
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063129	0	50	0.0	-58.16	420.55	11.62	-46.54
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC(F)=C3F)O1)C2	REAL300012063130	0	38	0.0	-67.56	334.00	9.88	-57.68
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063131	0	54	0.0	-67.36	428.94	10.32	-57.04
CN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2CCCCC2)=N1	REAL300012063132	0	47	0.0	-62.86	366.95	9.38	-53.48
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063133	0	50	0.0	-62.82	397.87	12.15	-50.67
CC1(C)CCC2=C(C1)SC(C[NH2+][C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=N2	REAL300012063134	0	43	0.0	-56.99	344.31	8.49	-48.50
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1)C2	REAL300012063135	0	38	0.0	-69.18	333.17	8.21	-60.97
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCC1=C(C)ON=C1C	REAL300012063136	0	51	0.0	-70.29	417.87	9.77	-60.52
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC=C3F)O1)C2	REAL300012063137	0	38	0.0	-65.84	328.75	9.84	-56.00
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=C3OCCOC3=C1)C2	REAL300012063138	0	37	0.0	-67.25	320.25	7.52	-59.73
CCCCC1=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C2O1	REAL300012063139	0	46	0.0	-63.38	372.53	11.31	-52.07
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(N3C=NC4=CC=CC=C43)C=C1)C2	REAL300012063140	0	44	0.0	-71.87	366.93	12.50	-59.37
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCC1=CC=CS1	REAL300012063141	0	46	0.0	-67.06	390.82	10.07	-56.99
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063142	0	44	0.0	-66.64	363.59	10.01	-56.63
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=C3OCCCOC3=C1)C2	REAL300012063143	0	40	0.0	-68.36	338.99	8.31	-60.05
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OCC3=CC=CC=C3Cl)=C1)C2	REAL300012063144	0	45	0.0	-63.43	384.21	11.69	-51.74
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C2	REAL300012063145	0	38	0.0	-73.53	337.23	8.59	-64.94
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=C(F)C=C3Cl)N=N1)C2	REAL300012063146	0	37	0.0	-76.22	331.51	8.28	-67.94
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=C(F)C(Cl)=C3)N=N1)C2	REAL300012063147	0	37	0.0	-71.76	335.26	8.23	-63.53
CC1=CC(Br)=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1OC(F)F	REAL300012063148	0	38	0.0	-59.10	336.53	8.77	-50.33
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=C(Cl)S1)C2	REAL300012063149	0	28	0.0	-64.69	287.80	8.14	-56.55
CC1=CC=C(SC2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2[N+](=O)[O-])C=C1	REAL300012063150	0	47	0.0	-76.72	405.72	13.11	-63.61
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300012063151	0	48	0.0	-79.77	395.64	12.78	-66.99
COC1=CC=C(C2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)O2)C([N+](=O)[O-])=C1	REAL300012063152	0	44	0.0	-71.19	373.90	10.30	-60.89
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=C(Cl)C(Cl)=C3)O1)C2	REAL300012063153	0	38	0.0	-67.27	352.21	10.69	-56.58
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC3=CC=C(F)C=C3)C([N+](=O)[O-])=C1)C2	REAL300012063154	0	44	0.0	-79.49	382.94	12.15	-67.34
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC3=CC=CC=C3Cl)C([N+](=O)[O-])=C1)C2	REAL300012063155	0	44	0.0	-80.40	391.66	12.54	-67.86
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063156	0	44	0.0	-58.93	378.66	10.31	-48.62
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063157	0	44	0.0	-61.72	393.89	10.82	-50.90
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(CC3=CC=CC=C3)N=C1C1=CC=CS1)C2	REAL300012063158	0	48	0.0	-57.29	407.85	12.15	-45.14
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(CC3=CC=CC=C3)N=C1C1=CC=CN=C1)C2	REAL300012063159	0	50	0.0	-70.39	415.55	11.09	-59.30
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063160	0	41	0.0	-64.74	370.87	10.36	-54.38
CC1=NN(CC2=CC=C(Cl)C=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063161	0	44	0.0	-59.63	395.37	10.84	-48.79
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC(C)C	REAL300012063162	0	45	0.0	-65.26	358.60	8.56	-56.70
CCCOC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCC	REAL300012063163	0	48	0.0	-65.42	384.03	9.67	-55.75
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063164	0	44	0.0	-60.17	385.04	10.38	-49.79
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Br)C(Br)=C1)C2	REAL300012063165	0	31	0.0	-67.98	300.34	8.99	-58.99
CCCCCCCOC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063166	0	53	0.0	-61.87	418.95	11.98	-49.89
CC(C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)CC1=CC=C(C(C)(C)C)C=C1	REAL300012063167	0	52	0.0	-60.29	392.73	12.20	-48.09
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Br)C=CS1)C2	REAL300012063168	0	28	0.0	-54.18	269.75	7.47	-46.71
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1N1CCOCC1)C2	REAL300012063169	0	44	0.0	-56.21	345.57	7.40	-48.81
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(F)=CC=C1Br)C2	REAL300012063170	0	31	0.0	-56.20	282.79	8.44	-47.76
CC1=CC=C(C2=CC=CC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2)C=C1	REAL300012063171	0	44	0.0	-62.91	355.70	11.91	-51.00
COC1=CC=C(Br)C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063172	0	35	0.0	-58.72	305.04	7.70	-51.02
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063173	0	44	0.0	-62.52	357.33	11.97	-50.55
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C2	REAL300012063174	0	37	0.0	-69.45	337.87	9.84	-59.61
CCOC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCC	REAL300012063175	0	45	0.0	-65.56	362.53	8.87	-56.69
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C2	REAL300012063176	0	34	0.0	-67.58	311.68	9.24	-58.34
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(F)C=C1Br)C2	REAL300012063177	0	31	0.0	-63.70	281.94	8.48	-55.22
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C2	REAL300012063178	0	35	0.0	-63.50	305.79	7.63	-55.87
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063179	0	45	0.0	-62.78	368.32	10.89	-51.89
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC(C(F)(F)F)=C3)O1)C2	REAL300012063180	0	41	0.0	-67.54	359.38	10.73	-56.81
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Br)=C1O	REAL300012063181	0	36	0.0	-57.72	315.44	5.55	-52.17
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CSC(Br)=C1)C2	REAL300012063182	0	28	0.0	-64.05	271.74	7.52	-56.53
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCC1=CC=CN=C1	REAL300012063183	0	48	0.0	-69.91	395.43	9.21	-60.70
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=C(Cl)C(Cl)=C3)S1)C2	REAL300012063184	0	38	0.0	-64.15	359.84	11.59	-52.56
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1)C2	REAL300012063185	0	44	0.0	-59.70	381.18	9.92	-49.78
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C2=CC=CC=C2)C=C1OC	REAL300012063186	0	49	0.0	-58.52	391.06	10.44	-48.08
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1)C2	REAL300012063187	0	44	0.0	-56.33	364.55	9.40	-46.93
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OCC3=CC=C(Cl)C(Cl)=C3)C=C1)C2	REAL300012063188	0	45	0.0	-63.98	403.29	12.07	-51.91
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Br)C(F)=C1)C2	REAL300012063189	0	31	0.0	-69.27	287.09	8.49	-60.78
CN1CCN(C2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300012063190	1	48	0.0	-61.57	369.30	6.53	-55.04
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC3=CN=CC=N3)C=C1)C2	REAL300012063191	0	40	0.0	-67.37	341.32	6.34	-61.03
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=C(F)C=C3)N=C1)C2	REAL300012063192	0	38	0.0	-66.46	325.33	9.12	-57.34
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063193	0	44	0.0	-66.14	373.90	10.46	-55.68
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=C(Cl)C=C3)N=C1)C2	REAL300012063194	0	38	0.0	-66.01	335.65	9.57	-56.44
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063195	0	44	0.0	-69.80	370.73	10.19	-59.61
CC1=NN(C2=CC=C(Br)C=C2)C(C)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063196	0	44	0.0	-66.22	378.47	10.57	-55.65
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Cl)N=C(SC3=CC=CC=C3)S1)C2	REAL300012063197	0	38	0.0	-58.63	363.62	9.76	-48.87
CC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(C)=C1OCC1=CC=CC=N1	REAL300012063198	0	50	0.0	-65.22	405.94	10.92	-54.30
COC1=CC=CC(COC2=CC=CC(Cl)=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063199	0	49	0.0	-53.94	413.53	10.88	-43.06
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C2	REAL300012063200	0	38	0.0	-64.71	331.03	8.51	-56.20
CCOC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCC1=CC=CC=C1	REAL300012063201	0	52	0.0	-66.94	422.44	11.92	-55.02
CC(C)C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300012063202	0	42	0.0	-75.92	345.20	10.34	-65.58
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=C3OCOC3=C1)C2	REAL300012063203	0	34	0.0	-69.28	307.14	7.11	-62.17
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063204	0	47	0.0	-61.47	382.01	10.45	-51.02
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063205	0	47	0.0	-67.23	396.01	10.88	-56.35
CCOC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCC(C)C	REAL300012063206	0	51	0.0	-65.05	404.13	10.35	-54.70
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=CC=C1F)C2	REAL300012063207	0	31	0.0	-58.11	286.97	8.47	-49.64
COC1=CC(Br)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300012063208	0	39	0.0	-63.45	333.91	7.61	-55.84
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Br)C=C1F)C2	REAL300012063209	0	31	0.0	-65.17	285.95	8.50	-56.67
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=CS1)C2	REAL300012063210	0	28	0.0	-61.25	271.50	7.57	-53.68
CCCCOC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCC	REAL300012063211	0	51	0.0	-65.36	405.53	10.45	-54.91
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC3=CC=C(Cl)C=C3[N+](=O)[O-])C=C1)C2	REAL300012063212	0	44	0.0	-73.79	391.60	12.54	-61.25
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063213	0	44	0.0	-63.44	357.48	9.96	-53.48
COC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1OC(F)F	REAL300012063214	0	39	0.0	-57.64	326.78	7.40	-50.24
CCC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063215	0	54	0.0	-67.34	438.39	13.85	-53.49
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(CSC(F)F)O1)C2	REAL300012063216	0	35	0.0	-65.13	320.64	8.41	-56.72
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC3=CC=CC=C3N=C1N1CCCCC1)C2	REAL300012063217	0	51	0.0	-59.92	398.29	11.09	-48.83
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(F)C(Br)=C1)C2	REAL300012063219	0	31	0.0	-69.13	287.09	8.48	-60.65
CC1=CC=C(COC2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)C=C1	REAL300012063220	0	48	0.0	-63.54	392.77	11.80	-51.74
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(N3CCCCC3)C=C1)C2	REAL300012063221	0	46	0.0	-59.81	352.98	9.11	-50.70
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCC1=CC=C([N+](=O)[O-])C=C1	REAL300012063222	0	51	0.0	-74.72	428.81	11.67	-63.05
CCCCCCOC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063223	0	50	0.0	-62.67	397.13	11.20	-51.47
N#CCCCOC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063224	0	42	0.0	-69.65	353.49	9.38	-60.27
CCCCCOC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC	REAL300012063225	0	51	0.0	-65.50	405.17	10.31	-55.19
CCC(C)OC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC	REAL300012063226	0	48	0.0	-65.40	379.38	9.36	-56.04
CCCCCCCOC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063227	0	53	0.0	-62.55	418.63	11.98	-50.57
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCCCC#N	REAL300012063228	0	46	0.0	-76.61	383.03	9.26	-67.35
C=C(C)COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC	REAL300012063229	0	46	0.0	-66.52	372.99	9.30	-57.22
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCCC(C)C	REAL300012063230	0	51	0.0	-65.51	401.24	10.05	-55.46
C=CCC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(OC)=C1O	REAL300012063231	0	43	0.0	-66.21	354.96	6.98	-59.23
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063232	0	40	0.0	-65.88	337.98	8.79	-57.09
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063233	0	41	0.0	-66.71	358.40	6.38	-60.33
CCOC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCC(F)(F)F	REAL300012063234	0	45	0.0	-68.49	382.10	9.33	-59.16
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=NC(C3=CC=CC=C3)=CS1)C2	REAL300012063235	0	37	0.0	-59.69	323.25	8.60	-51.09
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(N3CCOCC3)C(F)=C1)C2	REAL300012063236	0	44	0.0	-68.20	354.13	6.96	-61.24
C=CCOC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300012063237	0	39	0.0	-67.52	340.37	9.19	-58.33
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN=C(C3=CC=CC=C3)S1)C2	REAL300012063238	0	37	0.0	-63.81	324.80	8.87	-54.94
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C2OC(C)CC2=C1	REAL300012063239	0	43	0.0	-56.25	346.21	7.71	-48.54
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CSC(C3=CC=CS3)=N1)C2	REAL300012063240	0	34	0.0	-64.19	316.56	7.66	-56.53
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)C2	REAL300012063241	0	34	0.0	-67.56	315.88	9.34	-58.22
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1)C2	REAL300012063242	0	34	0.0	-67.47	320.45	9.45	-58.02
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Br)C=C1Cl)C2	REAL300012063243	0	31	0.0	-63.43	293.27	8.92	-54.51
CC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Br)=C1	REAL300012063244	0	34	0.0	-59.45	296.96	9.09	-50.36
CC(C)(C)N1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC=CC=C2Cl)=N1	REAL300012063245	0	50	0.0	-61.50	414.00	11.55	-49.95
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063246	0	46	0.0	-65.45	388.53	11.53	-53.92
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C2	REAL300012063247	0	35	0.0	-67.44	315.37	7.95	-59.49
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N1)C2	REAL300012063248	0	39	0.0	-67.76	353.13	9.30	-58.46
CN1N=C(C2=CC=CC=C2)C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300012063249	0	41	0.0	-57.36	354.53	9.33	-48.03
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=CC3=C1OCC3)C2	REAL300012063250	0	36	0.0	-57.45	316.86	8.29	-49.16
CC1=C(Br)SC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063251	0	31	0.0	-64.04	291.27	8.28	-55.76
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Br)C3=CC=CN=C13)C2	REAL300012063252	0	36	0.0	-56.88	318.15	8.87	-48.01
COC1=CC=C(OC2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)C=C1	REAL300012063253	0	46	0.0	-67.29	378.29	9.97	-57.32
CC1=CC(C2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)=CC(C)=C1	REAL300012063254	0	47	0.0	-63.12	377.12	12.57	-50.55
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063255	0	41	0.0	-65.92	354.97	10.16	-55.76
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OCC3=CC=C(F)C=C3)=C1)C2	REAL300012063256	0	45	0.0	-62.18	377.47	11.19	-50.99
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(SC3=CC=CC=C3)C=C1)C2	REAL300012063257	0	42	0.0	-63.43	360.71	11.93	-51.50
CC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(OC(F)F)C=C1C	REAL300012063258	0	41	0.0	-58.94	336.02	8.69	-50.25
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=NC(C3=CC(Cl)=CC=C3Cl)=CS1)C2	REAL300012063259	0	37	0.0	-58.91	357.04	9.73	-49.18
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063260	0	37	0.0	-71.96	323.83	8.72	-63.24
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063261	0	37	0.0	-64.21	317.83	6.00	-58.21
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063262	0	40	0.0	-59.05	343.56	7.50	-51.55
CC(C)SC1=CC(Br)=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063263	0	41	0.0	-55.37	354.60	10.79	-44.58
CSC1=CC(Br)=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063264	0	35	0.0	-56.02	317.15	9.37	-46.65
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(CC3=CC=C(F)C=C3)N=C1)C2	REAL300012063265	0	41	0.0	-64.68	350.73	9.57	-55.11
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC(F)F)C(Br)=C1)C2	REAL300012063266	0	35	0.0	-67.38	319.75	8.07	-59.31
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(CC3=CC=C(C(F)(F)F)C=C3)N=C1)C2	REAL300012063267	0	44	0.0	-65.04	383.05	10.51	-54.53
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063268	0	45	0.0	-56.99	362.39	10.63	-46.36
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063269	0	45	0.0	-57.16	362.04	10.62	-46.54
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063270	0	44	0.0	-60.43	357.26	8.87	-51.56
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl)C2	REAL300012063271	0	42	0.0	-55.00	371.03	11.39	-43.61
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Br)C=C1N1CCOCC1)C2	REAL300012063272	0	44	0.0	-59.63	365.65	8.00	-51.63
COC1=CC(Cl)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300012063273	0	35	0.0	-61.85	317.15	8.16	-53.69
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN=C(C3=CC=CS3)S1)C2	REAL300012063274	0	34	0.0	-64.27	316.68	7.94	-56.33
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN=C(C3=CSC=C3)S1)C2	REAL300012063275	0	34	0.0	-63.47	316.27	7.80	-55.67
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)O1	REAL300012063276	0	37	0.0	-66.52	329.49	7.77	-58.75
CC1=CC(Br)=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063277	0	34	0.0	-62.06	296.17	9.06	-53.00
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Cl)C(Br)=C1)C2	REAL300012063278	0	31	0.0	-67.95	296.21	8.90	-59.05
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CNN=C1C1=CC=CC=C1F)C2	REAL300012063279	0	38	0.0	-65.46	322.94	7.78	-57.68
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=NC=C3)C=C1F)C2	REAL300012063280	0	40	0.0	-67.71	333.97	9.54	-58.17
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=NC=C(Br)C=C1Br)C2	REAL300012063281	0	30	0.0	-55.97	294.22	7.11	-48.86
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Cl)C=C1Br)C2	REAL300012063282	0	31	0.0	-62.78	292.28	8.92	-53.86
COC1=C(Br)C=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063283	0	35	0.0	-64.23	309.02	7.92	-56.31
CN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC=CS2)=N1	REAL300012063284	0	38	0.0	-56.69	326.49	8.27	-48.42
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1)C2	REAL300012063285	0	45	0.0	-56.45	370.14	10.62	-45.83
COC1=CC(Br)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(OC)=C1	REAL300012063286	0	39	0.0	-51.78	335.75	6.98	-44.80
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1)C2	REAL300012063287	0	42	0.0	-53.18	362.89	11.19	-41.99
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC3=CC=CC(Br)=C3)C=C1)C2	REAL300012063288	0	42	0.0	-64.53	371.80	11.36	-53.17
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1)C2	REAL300012063289	0	46	0.0	-56.67	383.88	8.96	-47.71
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063290	0	41	0.0	-66.03	359.54	10.26	-55.77
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063291	0	50	0.0	-61.62	385.74	11.46	-50.16
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=C(F)C=C3)O1)C2	REAL300012063292	0	38	0.0	-65.75	326.73	9.79	-55.96
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=CC=C3)N=C1C1=CC=C(F)C=C1)C2	REAL300012063293	0	48	0.0	-65.14	401.49	12.47	-52.67
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(CC3=CC=CC=C3Cl)N=C1)C2	REAL300012063294	0	41	0.0	-68.41	356.65	9.98	-58.43
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(OC)=C1OC	REAL300012063295	0	43	0.0	-69.58	352.00	6.94	-62.64
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(N3CCOCC3)C=C1)C2	REAL300012063296	0	44	0.0	-62.62	344.09	6.66	-55.96
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063297	0	52	0.0	-59.87	410.13	12.96	-46.91
CC(C)CCOC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063298	0	47	0.0	-61.98	372.02	10.15	-51.83
CCCCCCOC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063299	0	50	0.0	-61.97	397.45	11.20	-50.77
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OC3=CC=CC=C3)=C1)C2	REAL300012063300	0	42	0.0	-65.10	348.50	10.69	-54.41
CCCOC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(OCCC)=C1	REAL300012063301	0	51	0.0	-55.69	404.11	9.95	-45.74
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(OC)=C1OC	REAL300012063302	0	43	0.0	-60.34	352.78	7.08	-53.26
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCC1=CC=CC=C1	REAL300012063303	0	49	0.0	-66.98	400.59	11.00	-55.98
COC1=CC=C(Br)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063304	0	35	0.0	-57.33	309.18	7.83	-49.50
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(Br)=C1O	REAL300012063305	0	36	0.0	-66.75	320.75	5.60	-61.15
COC1=CC(OC)=C(OC)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063306	0	43	0.0	-60.00	346.63	6.40	-53.60
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(N(C3=CC=CC=C3)C3=CC=CC=C3)C=C1)C2	REAL300012063307	0	53	0.0	-64.45	432.76	14.99	-49.46
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063308	0	41	0.0	-60.32	353.18	9.81	-50.51
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OCC3=CC=CC=C3)=C1)C2	REAL300012063309	0	45	0.0	-61.28	371.05	11.12	-50.16
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=C(Br)C=C3)N=C1)C2	REAL300012063310	0	38	0.0	-66.06	340.21	9.67	-56.39
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1I)C2	REAL300012063311	0	31	0.0	-51.73	281.71	8.81	-42.92
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F)C2	REAL300012063312	0	39	0.0	-64.21	336.91	7.06	-57.15
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(N3CCCCC3)C([N+](=O)[O-])=C1)C2	REAL300012063313	0	48	0.0	-70.19	383.14	11.07	-59.12
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(OC(F)F)C=CC3=CC=CC=C31)C2	REAL300012063314	0	41	0.0	-58.97	339.90	9.58	-49.39
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCC(N)=O	REAL300012063315	0	43	0.0	-79.75	357.41	4.98	-74.77
CCNC(=O)COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300012063316	0	49	0.0	-74.62	400.83	7.27	-67.35
COC1=CC2=C(C=C1C[NH2+][C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)OC(C)C2	REAL300012063317	0	43	0.0	-57.79	345.10	7.79	-50.00
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(OC)=C1OCC(N)=O	REAL300012063318	0	47	0.0	-78.59	390.59	4.78	-73.81
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(Cl)=C1OCC(N)=O	REAL300012063319	0	43	0.0	-76.46	377.39	5.65	-70.81
CCN(C(C)=O)C1=NC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CS1	REAL300012063320	0	40	0.0	-70.40	337.73	7.67	-62.73
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(I)=C1)C2	REAL300012063321	0	31	0.0	-64.01	287.56	8.93	-55.08
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(I)C=C1)C2	REAL300012063322	0	31	0.0	-63.67	287.87	8.93	-54.74
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=CC(Br)=C1)C2	REAL300012063323	0	31	0.0	-64.76	302.67	9.05	-55.71
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1)C2	REAL300012063324	0	41	0.0	-71.50	355.22	8.72	-62.78
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063325	0	44	0.0	-52.37	349.45	11.67	-40.70
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=C(Cl)C=C3)C=C1)C2	REAL300012063326	0	41	0.0	-63.00	350.99	11.77	-51.23
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OCC3=CC=CC=N3)=C1)C2	REAL300012063327	0	44	0.0	-65.07	363.81	9.42	-55.65
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN=C(N3CCOCC3)S1)C2	REAL300012063328	0	40	0.0	-63.97	333.76	5.15	-58.82
CC(=O)N(C1=NC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CS1)C1=CC=C(F)C=C1	REAL300012063329	0	44	0.0	-69.25	386.50	10.21	-59.04
CC1=CC=CN2C=C(COC3=CC=C(C[NH2+][C@@H]4C[C@@]5(C(=O)[O-])C[C@@H]45)C=C3)N=C12	REAL300012063330	0	51	0.0	-69.43	418.48	12.23	-57.20
CCOCC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC	REAL300012063331	0	45	0.0	-59.73	363.67	8.04	-51.69
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CSC(C3=CC=C4OCOC4=C3)=N1)C2	REAL300012063332	0	40	0.0	-66.41	350.97	7.30	-59.11
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(C(F)(F)F)=CC=C1Br)C2	REAL300012063333	0	34	0.0	-60.67	314.29	9.44	-51.23
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Br)C=C1C(F)(F)F)C2	REAL300012063334	0	34	0.0	-61.84	309.91	9.50	-52.34
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(F)C=CC=C1Br)C2	REAL300012063335	0	31	0.0	-53.61	283.16	8.35	-45.26
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CSC=C1Br)C2	REAL300012063336	0	28	0.0	-53.90	268.46	7.34	-46.56
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(F)=CC(Br)=C1)C2	REAL300012063337	0	31	0.0	-65.82	287.49	8.52	-57.30
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(F)=C1Br)C2	REAL300012063338	0	31	0.0	-56.48	282.10	8.42	-48.06
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(Br)=C1F)C2	REAL300012063339	0	31	0.0	-58.60	286.27	8.46	-50.14
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC3=C(C=C1OC(F)F)OCO3)C2	REAL300012063340	0	38	0.0	-66.18	323.63	6.15	-60.03
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Br)=C1	REAL300012063341	0	35	0.0	-61.12	305.03	7.71	-53.41
CC1=C(Br)C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300012063342	0	34	0.0	-64.19	317.67	9.52	-54.67
CC1=CC(Br)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300012063343	0	31	0.0	-53.92	291.32	8.28	-45.64
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063344	0	46	0.0	-68.60	369.47	10.54	-58.06
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063345	0	41	0.0	-51.66	348.86	10.53	-41.13
CN1C(=O)CCC2=CC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300012063346	0	42	0.0	-70.27	336.77	8.75	-61.52
COC1=CC=CC(SC2=CC=CC=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063347	0	46	0.0	-53.54	382.98	11.05	-42.49
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN=C(C3=CC=C(Cl)C=C3)S1)C2	REAL300012063348	0	37	0.0	-64.31	341.52	9.39	-54.92
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN=C(C3=CC=CC=C3F)S1)C2	REAL300012063349	0	37	0.0	-65.49	329.31	9.10	-56.39
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063350	0	48	0.0	-56.91	383.82	11.28	-45.63
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=CC=C1OCC1CC1)C2	REAL300012063351	0	42	0.0	-56.50	358.13	10.24	-46.26
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(OC)=C1OCC(F)F	REAL300012063352	0	46	0.0	-73.38	386.87	8.20	-65.18
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=NC3=C(Br)C=CC=C13)C2	REAL300012063353	0	36	0.0	-71.08	316.66	8.83	-62.25
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN=C(C3=C(F)C=CC=C3F)S1)C2	REAL300012063354	0	37	0.0	-65.78	332.96	9.09	-56.69
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Br)C(Cl)=C1)C2	REAL300012063355	0	31	0.0	-67.99	296.21	8.90	-59.09
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN=C(CCC3=CC=CC=C3)S1)C2	REAL300012063356	0	43	0.0	-63.40	369.37	10.35	-53.05
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC(F)(F)F)C(Br)=C1)C2	REAL300012063357	0	35	0.0	-68.41	326.49	8.28	-60.13
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC3=CC=CC(F)=C3)C=C1)C2	REAL300012063358	0	42	0.0	-65.26	356.92	10.83	-54.43
CN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC=C(F)C=C2)=N1	REAL300012063359	0	41	0.0	-70.03	345.83	9.08	-60.95
CNC(=O)C(C)OC1=CC=C(Br)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063360	0	45	0.0	-58.68	386.30	7.96	-50.72
CN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC=C(C#N)C=C2)=N1	REAL300012063361	0	42	0.0	-73.87	360.38	9.39	-64.48
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300012063362	0	45	0.0	-64.51	370.61	11.15	-53.36
CN1N=C(Br)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063363	0	31	0.0	-67.12	282.24	5.95	-61.17
CN1C=C(C2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=N1	REAL300012063364	0	38	0.0	-64.93	333.76	8.53	-56.40
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C3OCCCCOC3=C1)C2	REAL300012063365	0	43	0.0	-66.13	339.14	8.70	-57.43
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C2	REAL300012063366	0	31	0.0	-69.09	293.02	8.81	-60.28
COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063367	0	42	0.0	-65.40	345.38	8.22	-57.18
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(F)C=CC=C1OC(F)(F)F)C2	REAL300012063368	0	35	0.0	-55.73	310.01	7.70	-48.03
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=NN1C1=CC=C(F)C=C1)C2	REAL300012063369	0	38	0.0	-68.66	322.36	8.81	-59.85
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC=C3Br)C=C1)C2	REAL300012063370	0	41	0.0	-63.22	356.74	11.88	-51.34
CC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CN(C)N=C2)=C1	REAL300012063371	0	44	0.0	-60.08	358.27	9.66	-50.42
CC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC=NN2C)=C1	REAL300012063372	0	44	0.0	-55.76	353.51	9.33	-46.43
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=C(C(F)(F)F)C=C3)N=C1)C2	REAL300012063373	0	41	0.0	-67.32	357.63	10.05	-57.27
CC1=CC(Br)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300012063374	0	34	0.0	-59.01	311.01	9.50	-49.51
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Cl)N(CC3=CC=CC=C3)N=C1)C2	REAL300012063375	0	41	0.0	-59.56	359.12	9.82	-49.74
N#CCCN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC=NC=C2)=N1	REAL300012063376	0	44	0.0	-69.13	376.65	8.62	-60.51
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1)C2	REAL300012063377	0	37	0.0	-54.42	320.88	11.43	-42.99
COCCOCC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063378	0	45	0.0	-64.15	370.64	7.80	-56.35
CC1=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC2=C(Cl)C=CC=C12	REAL300012063379	0	37	0.0	-64.73	330.57	10.39	-54.34
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CNC(C(=O)OCC3=CC=CC=C3)=C1)C2	REAL300012063380	0	45	0.0	-64.98	383.51	10.25	-54.73
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(F)C=C1I)C2	REAL300012063381	0	31	0.0	-62.72	286.23	8.88	-53.84
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300012063382	0	41	0.0	-57.86	343.83	8.27	-49.59
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=CN=C1Cl)C2	REAL300012063383	0	30	0.0	-64.96	288.02	7.06	-57.90
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(OC(F)F)=CC=C1Br)C2	REAL300012063384	0	35	0.0	-62.65	314.80	7.97	-54.68
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C=C1C	REAL300012063385	0	43	0.0	-63.93	363.18	10.07	-53.86
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063386	0	41	0.0	-64.27	341.58	9.63	-54.64
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063387	0	41	0.0	-64.48	359.18	10.51	-53.97
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063388	0	41	0.0	-65.66	355.32	10.37	-55.29
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063389	0	44	0.0	-65.20	359.66	10.32	-54.88
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063390	0	41	0.0	-66.97	359.48	10.25	-56.72
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OCC3=CC=C(F)C=C3F)=C1)C2	REAL300012063391	0	45	0.0	-63.48	381.17	11.35	-52.13
CC(C)(C)SC1=C(Br)C=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063392	0	44	0.0	-55.44	362.59	10.96	-44.48
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063393	0	44	0.0	-65.44	359.67	10.30	-55.14
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC3=CC(Br)=CC=C3O1)C2	REAL300012063394	0	34	0.0	-66.56	309.26	8.97	-57.59
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(F)=C1OC(F)F)C2	REAL300012063395	0	35	0.0	-59.60	304.13	7.54	-52.06
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(F)=CC=C1OC(F)F)C2	REAL300012063396	0	35	0.0	-62.59	304.03	7.56	-55.03
CN1C=C(C2=NN(C)C=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300012063397	0	41	0.0	-68.93	343.20	6.85	-62.08
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2C1	REAL300012063398	0	55	0.0	-66.02	425.95	11.02	-55.00
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN=C(C3=CC=CC(Cl)=C3)S1)C2	REAL300012063399	0	37	0.0	-64.61	341.54	9.39	-55.22
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CNN=C1C1=CC=C(Br)S1)C2	REAL300012063400	0	35	0.0	-56.93	325.10	7.68	-49.25
CC(C)OC1=CC(Cl)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300012063401	0	41	0.0	-61.29	356.94	9.71	-51.58
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC3CCOC3)C=C1)C2	REAL300012063402	0	43	0.0	-65.19	345.44	7.48	-57.71
COC(=O)C1=C2CCCCN2C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063403	0	45	0.0	-66.40	361.48	9.57	-56.83
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(C(F)(F)F)=C1	REAL300012063404	0	38	0.0	-66.28	328.66	8.14	-58.14
C=CCOC1=C(Cl)C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300012063405	0	43	0.0	-67.61	373.56	9.20	-58.41
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC1CC1	REAL300012063406	0	43	0.0	-67.07	349.88	8.70	-58.37
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=CC=C1I)C2	REAL300012063407	0	31	0.0	-53.65	298.45	9.32	-44.33
COCC(C)OC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063408	0	45	0.0	-65.22	361.68	8.04	-57.18
CN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300012063409	0	48	0.0	-61.71	402.17	8.78	-52.93
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F)C2	REAL300012063410	0	45	0.0	-60.85	380.06	11.43	-49.42
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C2	REAL300012063411	0	44	0.0	-66.58	364.01	10.09	-56.49
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(C(F)(F)F)=C(Br)C=C1F)C2	REAL300012063412	0	34	0.0	-66.58	320.11	9.37	-57.21
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F)C2	REAL300012063413	0	38	0.0	-61.07	337.00	8.69	-52.38
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1)C2	REAL300012063414	0	40	0.0	-66.42	352.57	10.21	-56.21
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(C)(C)C	REAL300012063415	0	47	0.0	-61.45	360.45	9.82	-51.63
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063416	0	39	0.0	-53.05	332.58	7.05	-46.00
CC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC=C1Br	REAL300012063417	0	33	0.0	-64.79	294.90	7.19	-57.60
CC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Br)C=C1F	REAL300012063418	0	34	0.0	-63.41	302.24	9.11	-54.30
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(O)C=CC=C1Br)C2	REAL300012063419	0	32	0.0	-56.03	287.81	5.53	-50.50
CN1C=C(C2=NC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CS2)C=N1	REAL300012063420	0	37	0.0	-67.16	329.59	6.42	-60.74
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=C(F)C=C3)N=N1)C2	REAL300012063421	0	37	0.0	-73.53	319.08	7.73	-65.80
CN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Br)=N1	REAL300012063422	0	31	0.0	-66.41	283.56	6.12	-60.29
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=NC=C(Br)C=C1F)C2	REAL300012063423	0	30	0.0	-58.23	281.42	6.63	-51.60
COC1=CC(Cl)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300012063424	0	39	0.0	-64.12	330.34	7.51	-56.61
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063425	0	51	0.0	-66.70	408.00	8.28	-58.42
CCOC(=O)C1=C(C)C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C)N1	REAL300012063426	0	44	0.0	-62.26	360.20	8.21	-54.05
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(F)C=CC(C(F)(F)F)=C1Br)C2	REAL300012063427	0	34	0.0	-55.76	317.67	9.22	-46.54
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CC=CC=C3)C(Cl)=C1)C2	REAL300012063428	0	41	0.0	-63.89	353.13	11.80	-52.09
CC1=CC(Br)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300012063429	0	34	0.0	-58.83	315.05	9.59	-49.24
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Br)C(F)=C1F)C2	REAL300012063430	0	31	0.0	-71.63	291.55	8.55	-63.08
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Br)SC=C1)C2	REAL300012063431	0	28	0.0	-59.71	267.78	7.48	-52.23
CCOC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C=C1OC	REAL300012063432	0	42	0.0	-65.89	344.87	8.01	-57.88
COC1=NC=C(Br)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063433	0	34	0.0	-58.58	306.91	5.21	-53.37
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CNN=C1CN1C(=O)C3=CC=CC=C3C1=O)C2	REAL300012063434	0	45	0.0	-61.98	379.21	7.47	-54.51
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C=C1Br	REAL300012063435	0	35	0.0	-67.19	314.21	7.84	-59.35
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(Br)=C1Cl)C2	REAL300012063436	0	31	0.0	-56.58	292.20	8.84	-47.74
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(F)=C1OC(F)(F)F)C2	REAL300012063437	0	35	0.0	-68.45	310.77	7.83	-60.62
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C(=O)N3CCCC3)C=C1)C2	REAL300012063438	0	45	0.0	-70.08	356.11	8.84	-61.24
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC(F)F)C=C1F)C2	REAL300012063439	0	35	0.0	-64.71	303.83	7.45	-57.26
CC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1Br	REAL300012063440	0	37	0.0	-60.19	310.87	9.54	-50.65
CC1=CC=NC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Br	REAL300012063441	0	33	0.0	-54.14	291.42	7.09	-47.05
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063442	0	48	0.0	-63.89	382.17	8.07	-55.82
CN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC(F)=CC=C2F)=N1	REAL300012063443	0	41	0.0	-62.44	352.35	9.14	-53.30
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1)C2	REAL300012063446	0	41	0.0	-61.03	366.79	9.59	-51.44
CCN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC=CC=C2)=N1	REAL300012063447	0	44	0.0	-60.45	360.99	9.86	-50.59
COCC1=C(C)C=C(C)C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300012063448	0	47	0.0	-59.03	361.62	9.04	-49.99
CC1=CC(OC2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C(Cl)=C2)=CC=C1F	REAL300012063449	0	45	0.0	-65.97	389.04	11.93	-54.04
CCC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Cl)=C1	REAL300012063450	0	48	0.0	-58.87	404.88	12.66	-46.21
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1)C2	REAL300012063451	0	42	0.0	-58.19	370.09	11.28	-46.91
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063452	0	45	0.0	-59.32	390.50	12.04	-47.28
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1F	REAL300012063453	0	45	0.0	-60.38	390.95	11.92	-48.46
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(Cl)=C1)C2	REAL300012063454	0	42	0.0	-59.24	385.52	11.74	-47.50
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(F)=C1)C2	REAL300012063455	0	42	0.0	-60.06	376.20	11.34	-48.72
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063456	0	45	0.0	-54.18	383.66	11.87	-42.31
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1)C2	REAL300012063457	0	42	0.0	-57.12	370.33	11.29	-45.83
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063458	0	48	0.0	-54.12	404.30	12.69	-41.43
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Cl)C=C1OC1=CC=C(Cl)C(F)=C1)C2	REAL300012063459	0	42	0.0	-62.69	386.79	11.78	-50.91
CC1=C(Br)C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300012063460	0	31	0.0	-60.74	291.33	8.30	-52.44
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(C3=CC=C(Cl)C=C3)=C1)C2	REAL300012063461	0	41	0.0	-63.91	351.03	11.75	-52.16
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(F)=C1I)C2	REAL300012063462	0	31	0.0	-54.89	287.25	8.86	-46.03
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1COC1=CC=CC=C1	REAL300012063463	0	49	0.0	-61.47	398.02	10.55	-50.92
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1CN1C=CC=N1	REAL300012063464	0	45	0.0	-63.81	371.99	8.81	-55.00
CC1=CC=C(Br)C(F)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063465	0	34	0.0	-64.06	302.15	9.01	-55.05
CCC1=CC(OC2=CC=C(F)C=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Cl	REAL300012063466	0	48	0.0	-59.41	409.13	12.58	-46.83
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OC1=CC=C(Cl)C(Cl)=C1)C2	REAL300012063467	0	42	0.0	-57.45	379.41	11.68	-45.77
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1	REAL300012063468	0	48	0.0	-55.97	405.69	12.60	-43.37
COC1=CC=C(CN2C=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)N=N2)C=C1	REAL300012063469	0	44	0.0	-75.16	367.45	7.48	-67.68
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OC3=CC=CC=N3)=C1)C2	REAL300012063470	0	41	0.0	-64.27	346.65	8.18	-56.09
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(COC3=CC=CC=C3)=C1)C2	REAL300012063471	0	45	0.0	-63.56	371.37	11.10	-52.46
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=C(Br)S1)C2	REAL300012063472	0	28	0.0	-64.69	292.15	8.25	-56.44
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C(Cl)=C1)C2	REAL300012063473	0	42	0.0	-60.08	376.20	11.33	-48.75
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1)C2	REAL300012063474	0	42	0.0	-60.93	367.99	11.00	-49.93
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1)C2	REAL300012063475	0	42	0.0	-56.97	379.61	11.68	-45.29
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063476	0	49	0.0	-53.49	399.43	11.32	-42.17
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1)C2	REAL300012063477	0	42	0.0	-57.67	369.27	11.23	-46.44
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC(Cl)=C1)C2	REAL300012063478	0	42	0.0	-56.32	382.30	11.82	-44.50
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C=C1Cl)C2	REAL300012063479	0	42	0.0	-58.59	377.13	11.38	-47.21
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063480	0	46	0.0	-57.27	392.74	11.73	-45.54
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Cl)C=C1OC1=CC=C(F)C(Cl)=C1)C2	REAL300012063481	0	42	0.0	-62.59	386.79	11.78	-50.81
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063482	0	47	0.0	-64.82	376.93	10.89	-53.93
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CSC(C3=CC=C(Cl)C=C3)=N1)C2	REAL300012063483	0	37	0.0	-63.98	341.66	9.15	-54.83
COC1=CC=C(C2=NC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CS2)C=C1	REAL300012063484	0	41	0.0	-64.03	354.37	7.94	-56.09
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063486	0	39	0.0	-72.18	333.16	4.57	-67.61
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063487	1	51	0.0	-54.75	382.74	10.03	-44.72
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OCCN3C=CN=C3)C(Cl)=C1)C2	REAL300012063488	0	45	0.0	-70.89	389.35	11.22	-59.67
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300012063489	0	42	0.0	-60.91	356.12	8.31	-52.60
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Cl)C=CC3=CC=CN=C31)C2	REAL300012063490	0	36	0.0	-52.94	313.56	8.76	-44.18
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(OCC2=CC=CN=C2)=C1	REAL300012063491	0	48	0.0	-58.13	394.01	8.69	-49.44
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=NC3=CC=C(Br)C=C3S1)C2	REAL300012063492	0	33	0.0	-60.92	313.06	7.88	-53.04
CN(C)C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C(F)(F)F)=C1	REAL300012063493	0	42	0.0	-58.43	340.07	9.28	-49.15
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063494	0	41	0.0	-59.11	341.94	10.46	-48.65
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063495	0	40	0.0	-60.68	351.32	9.45	-51.23
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C3C(=C1)CCN3CC1=CC=CC=C1)C2	REAL300012063496	0	50	0.0	-63.02	397.13	11.34	-51.68
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Cl)N=C3C=C(Cl)C=CN31)C2	REAL300012063497	0	34	0.0	-71.68	319.71	9.19	-62.49
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=CC=C3Br)N=N1)C2	REAL300012063498	0	37	0.0	-72.31	333.74	8.48	-63.83
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN3C=CC(Br)=CC3=N1)C2	REAL300012063499	0	34	0.0	-68.33	308.09	8.96	-59.37
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063500	0	42	0.0	-63.54	346.72	9.24	-54.30
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(I)=CC([N+](=O)[O-])=C1)C2	REAL300012063501	0	33	0.0	-71.91	316.08	9.59	-62.32
COCC1=CC=CC=C1C=C(C)C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063502	0	45	0.0	-63.89	359.18	9.46	-54.43
COC1=CC=C(N2C=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=N2)C=C1	REAL300012063503	0	42	0.0	-66.38	348.41	8.35	-58.03
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063504	0	46	0.0	-60.58	381.90	11.24	-49.34
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(N3CCCCC3)C(Br)=C1)C2	REAL300012063505	0	46	0.0	-62.28	377.61	10.29	-51.99
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300012063506	0	34	0.0	-73.56	313.19	4.52	-69.04
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(C3=CC=CC=C3)N(C3CCCC3)N=C1)C2	REAL300012063507	0	51	0.0	-58.29	403.44	11.75	-46.54
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300012063508	0	36	0.0	-74.15	318.89	2.84	-71.31
CC1=C(Br)C=NC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063509	0	33	0.0	-64.67	288.25	7.19	-57.48
COC1=CC=C(C2=CC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC3=C2OCO3)C=N1	REAL300012063510	0	47	0.0	-72.01	393.69	6.86	-65.15
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(OC3=CC=C(F)C=C3)N=C3C=CC=CN31)C2	REAL300012063511	0	45	0.0	-70.45	378.81	10.97	-59.48
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OCCN3CCOCC3)C=C1)C2	REAL300012063512	0	51	0.0	-63.47	400.12	6.69	-56.78
CC(C)(C)OC(=O)NC(C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)CC(F)F	REAL300012063513	0	47	0.0	-70.40	366.37	6.64	-63.76
CN1C=CC(C2=NC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CS2)=N1	REAL300012063514	0	37	0.0	-70.03	329.70	6.31	-63.72
CC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Br	REAL300012063515	0	34	0.0	-53.14	294.56	8.95	-44.19
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OC3=CC=C(F)C=C3)=C1)C2	REAL300012063516	0	42	0.0	-64.84	354.91	10.75	-54.09
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1N1CCCCC1)C2	REAL300012063517	0	46	0.0	-53.15	352.82	9.92	-43.23
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=CC=C1Br)C2	REAL300012063518	0	31	0.0	-55.35	297.68	8.99	-46.36
CC1=C(Cl)C=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300012063519	0	34	0.0	-56.77	305.25	9.30	-47.47
CC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C)C=C1I	REAL300012063520	0	37	0.0	-62.12	320.85	10.01	-52.11
N#CC1=CC=C(Br)C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063521	0	32	0.0	-64.71	296.01	8.80	-55.91
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063522	0	44	0.0	-54.61	362.08	9.39	-45.22
COC(=O)COC1=CC=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063523	0	41	0.0	-55.43	344.30	8.79	-46.64
COC1=CC=C2SC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC2=C1	REAL300012063524	0	38	0.0	-64.48	326.71	8.66	-55.82
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063525	0	47	0.0	-72.34	372.82	9.59	-62.75
CCN(C)C(=O)C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063526	0	44	0.0	-70.07	352.96	8.68	-61.39
CC1=NN(C2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C(C)=C2)C=C1	REAL300012063527	0	44	0.0	-66.34	355.18	10.22	-56.12
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C2	REAL300012063528	0	37	0.0	-66.19	331.29	9.70	-56.49
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063529	0	41	0.0	-65.41	350.40	10.13	-55.28
CCC1=CC(Br)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300012063530	0	34	0.0	-53.77	312.82	9.07	-44.70
CC1=NN(C2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)C=C1Cl	REAL300012063531	0	41	0.0	-67.12	357.01	10.12	-57.00
COC(=O)C1=CC2=C(C=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)O2)N1	REAL300012063532	0	38	0.0	-72.79	328.69	6.63	-66.16
CC(C)(C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=C(Br)C=C1	REAL300012063533	0	40	0.0	-61.72	329.14	10.15	-51.57
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=CC(Br)=C1)C2	REAL300012063534	0	31	0.0	-64.79	297.81	8.95	-55.84
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1	REAL300012063535	0	47	0.0	-51.71	369.85	12.35	-39.36
CC(C)(C)OC(=O)N1CCN(C2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)O2)CC1	REAL300012063536	0	57	0.0	-68.01	441.58	7.81	-60.20
COC1=CC=CC(C2=CSC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)=C1	REAL300012063537	0	41	0.0	-61.77	352.35	7.90	-53.87
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063538	0	51	0.0	-66.12	408.00	8.29	-57.83
COC(=O)C1=C2COCCN2C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063539	0	43	0.0	-68.19	353.19	7.20	-60.99
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C(=O)N3CCCCC3)C=C1)C2	REAL300012063540	0	48	0.0	-68.96	374.92	9.76	-59.20
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C2	REAL300012063541	0	34	0.0	-70.85	322.33	9.67	-61.18
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CNN=C1C1=CC=C(Cl)O1)C2	REAL300012063542	0	35	0.0	-56.66	315.99	6.76	-49.90
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Br)=C1	REAL300012063543	0	36	0.0	-71.86	329.79	3.37	-68.49
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Cl)C=CC=C1Br)C2	REAL300012063544	0	31	0.0	-52.57	291.90	8.74	-43.83
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(F)C(Br)=C1F)C2	REAL300012063545	0	31	0.0	-71.25	290.97	8.53	-62.72
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300012063546	0	51	0.0	-67.52	383.81	8.86	-58.66
CC1=CC(Br)=CN=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063547	0	33	0.0	-63.27	292.33	7.18	-56.09
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C2	REAL300012063548	0	37	0.0	-71.51	333.66	5.75	-65.76
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C3CCN(C(=O)OCC4=CC=CC=C4)C3=C1)C2	REAL300012063549	0	53	0.0	-60.72	433.75	12.60	-48.12
CC1=NC(Cl)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300012063550	0	33	0.0	-64.62	306.46	7.59	-57.03
CCOC1=CC(Br)=CC(F)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063551	0	38	0.0	-53.86	336.66	8.76	-45.10
CS(=O)(=O)C1=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=CS1	REAL300012063552	0	34	0.0	-61.01	303.62	4.82	-56.19
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)O1	REAL300012063553	0	48	0.0	-68.33	408.99	10.02	-58.31
CC1=C(Br)C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C)S1	REAL300012063554	0	34	0.0	-58.65	308.94	8.80	-49.85
CN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC=CC(F)=C2)=N1	REAL300012063555	0	41	0.0	-59.30	345.49	9.05	-50.25
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C2	REAL300012063556	0	35	0.0	-67.49	310.62	7.66	-59.83
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C2	REAL300012063557	0	37	0.0	-62.97	330.98	9.71	-53.26
CC1=NC=CN1C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1	REAL300012063558	0	44	0.0	-68.21	354.61	10.91	-57.30
CC1=C(C)N(C2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)C=N1	REAL300012063559	0	44	0.0	-70.24	360.93	11.55	-58.69
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC3=C(Br)C=CC=C3S1)C2	REAL300012063560	0	34	0.0	-60.70	317.85	9.94	-50.76
CN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC=CC=C2Br)=N1	REAL300012063561	0	41	0.0	-62.51	358.01	9.66	-52.85
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC3=C1C1=C(C=CC=C1)N3)C2	REAL300012063562	0	41	0.0	-58.87	332.45	9.88	-48.99
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1)C2	REAL300012063563	0	38	0.0	-58.92	337.46	8.30	-50.62
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063564	0	44	0.0	-67.76	374.61	10.62	-57.14
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1)C2	REAL300012063565	0	38	0.0	-69.10	337.74	8.32	-60.78
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)C2	REAL300012063566	0	38	0.0	-59.72	322.58	7.75	-51.97
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Br)C=CC=C1Br)C2	REAL300012063567	0	31	0.0	-51.71	296.27	8.82	-42.89
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Br)C=CC=C1OC(F)F)C2	REAL300012063568	0	35	0.0	-56.94	315.78	7.96	-48.98
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Cl)N(C3=CC=CC=C3)N=C1)C2	REAL300012063569	0	38	0.0	-61.18	333.98	9.31	-51.87
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(F)C=C(Br)C=C1F)C2	REAL300012063570	0	31	0.0	-57.62	292.03	8.49	-49.13
COC1=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=CC=C1C(C)(C)C	REAL300012063571	0	47	0.0	-55.98	353.25	9.56	-46.42
CN1C=C(Br)N=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063572	0	31	0.0	-70.40	282.02	6.71	-63.69
CC(C)(OCC1=CC=CC=C1)C1=CC=C(F)C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063573	0	54	0.0	-59.00	430.03	12.66	-46.34
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC3=CC=C(F)C=C3NC1=O)C2	REAL300012063574	0	37	0.0	-73.41	316.87	6.96	-66.45
CC1=CC(C)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1Br	REAL300012063575	0	40	0.0	-59.14	329.54	9.98	-49.16
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063576	0	41	0.0	-67.54	356.29	8.61	-58.93
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063577	0	48	0.0	-64.02	381.88	8.08	-55.94
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CSC=C3)N=C1)C2	REAL300012063578	0	37	0.0	-67.76	323.02	8.61	-59.15
COC1=CC=C(Br)C(F)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063579	0	35	0.0	-58.74	313.84	7.83	-50.91
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(F)C=C(C(F)(F)F)C=C1Br)C2	REAL300012063580	0	34	0.0	-57.15	321.89	9.34	-47.81
N#CC1=CC(F)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Br)=C1	REAL300012063581	0	32	0.0	-61.12	303.96	8.73	-52.39
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC3=CC(Cl)=CC=C31)C2	REAL300012063582	0	37	0.0	-62.96	317.46	10.48	-52.48
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Cl)C(Br)=C1F)C2	REAL300012063583	0	31	0.0	-70.06	300.09	8.94	-61.12
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OC1CCCCC1)C2	REAL300012063584	0	48	0.0	-53.65	369.34	10.67	-42.98
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC3=CC=CC(Cl)=C3)C=C1)C2	REAL300012063585	0	42	0.0	-64.65	367.24	11.26	-53.39
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1COC1CCCCC1)C2	REAL300012063586	0	51	0.0	-60.07	390.27	11.34	-48.73
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1)C2	REAL300012063587	0	45	0.0	-55.76	386.35	11.72	-44.04
COC1=CC=CC(OC2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)=C1	REAL300012063588	0	46	0.0	-65.95	378.29	9.97	-55.98
CCN1CCCC2=CC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300012063589	0	46	0.0	-60.27	351.36	9.02	-51.25
CN1N=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Br	REAL300012063590	0	31	0.0	-58.57	282.87	6.04	-52.53
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063591	0	46	0.0	-69.09	378.09	10.56	-58.53
COC1=C(Br)C=CC(F)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063592	0	35	0.0	-56.89	315.17	7.90	-48.99
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1)C2	REAL300012063593	0	44	0.0	-64.85	369.19	12.54	-52.31
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Br)C=CC=C1OC(F)(F)F)C2	REAL300012063594	0	35	0.0	-53.35	322.78	8.18	-45.17
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C2	REAL300012063595	0	35	0.0	-64.27	316.18	9.29	-54.98
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OCC3=CC=C(Cl)C=C3)=C1)C2	REAL300012063596	0	45	0.0	-61.64	387.79	11.64	-50.00
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C3C(=C1)CCC31OCCO1)C2	REAL300012063597	0	44	0.0	-64.76	353.29	8.51	-56.25
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Br)C=C1OC(F)F)C2	REAL300012063598	0	35	0.0	-62.96	318.98	8.10	-54.86
CC1=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC2=CC(F)=CC=C12	REAL300012063599	0	37	0.0	-64.93	320.31	9.96	-54.97
COC1=CC(OC)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=NC(Cl)=CC=C12	REAL300012063600	0	44	0.0	-56.72	373.21	7.54	-49.18
CC1=CC=C(F)C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Br	REAL300012063601	0	34	0.0	-53.14	301.68	8.92	-44.22
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OCCC1CCCCC1)C2	REAL300012063602	0	54	0.0	-54.12	412.01	12.13	-41.99
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(OCC3CCC3)=C1)C2	REAL300012063603	0	45	0.0	-62.61	359.32	10.18	-52.43
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCCO	REAL300012063604	0	43	0.0	-68.33	352.05	4.86	-63.47
COC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OCCO	REAL300012063605	0	43	0.0	-68.73	352.05	4.86	-63.87
CN1C=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC=NN2C)=N1	REAL300012063606	0	41	0.0	-62.16	344.93	6.80	-55.36
COC1=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCC1CCCO1	REAL300012063607	0	50	0.0	-68.10	397.76	8.46	-59.64
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(F)=C1C(F)(F)F)C2	REAL300012063608	0	34	0.0	-63.59	293.69	8.92	-54.67
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F)C2	REAL300012063609	0	38	0.0	-57.17	334.69	8.61	-48.56
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C3=CN=C(C(F)F)S3)C=C1)C2	REAL300012063610	0	40	0.0	-68.08	356.80	9.60	-58.48
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Br)C=CC3=C1OCO3)C2	REAL300012063611	0	34	0.0	-55.16	303.88	6.99	-48.17
CS(=O)(=O)C1=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC=C1	REAL300012063612	0	34	0.0	-63.82	301.36	4.45	-59.37
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C2	REAL300012063613	0	34	0.0	-67.68	303.39	8.88	-58.80
CS(=O)(=O)C1=CSC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063614	0	34	0.0	-68.88	312.33	4.44	-64.44
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=CC(Cl)=C3)N=C1)C2	REAL300012063615	0	38	0.0	-70.93	335.34	9.57	-61.36
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(Br)C=C(C(F)(F)F)S1)C2	REAL300012063616	0	31	0.0	-59.07	310.08	8.68	-50.39
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Br)C=C1OC1CC1)C2	REAL300012063617	0	39	0.0	-56.80	340.25	9.48	-47.32
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063618	0	41	0.0	-64.48	339.20	8.52	-55.96
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F)C2	REAL300012063619	0	34	0.0	-62.61	301.34	9.29	-53.32
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(F)C=CC(Br)=C1Cl)C2	REAL300012063620	0	31	0.0	-57.41	298.54	8.83	-48.58
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CN(C3=CC=CC(F)=C3)N=C1)C2	REAL300012063621	0	38	0.0	-72.15	325.02	9.12	-63.03
COC1=NC(C)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1Cl	REAL300012063622	0	40	0.0	-65.25	334.47	6.06	-59.19
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063623	0	47	0.0	-61.26	364.35	9.45	-51.81
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063624	0	45	0.0	-62.87	355.95	7.00	-55.87
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=CC3=CC=CN=C31)C2	REAL300012063625	0	36	0.0	-55.66	320.86	8.96	-46.70
NS(=O)(=O)C1=CSC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063626	0	33	0.0	-68.69	305.84	1.84	-66.85
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C(=O)N3CCOCC3)C=C1)C2	REAL300012063627	0	46	0.0	-70.05	366.25	7.33	-62.72
CC1=CC(Br)=C(F)C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063628	0	34	0.0	-66.09	306.32	9.15	-56.94
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Br)C(Cl)=C1F)C2	REAL300012063629	0	31	0.0	-69.97	300.24	8.95	-61.02
COC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Br	REAL300012063630	0	35	0.0	-54.65	304.68	7.73	-46.92
COC1=CC(F)=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300012063631	0	35	0.0	-63.39	314.21	7.85	-55.54
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C([N+](=O)[O-])C(OC3CC3)=C1)C2	REAL300012063632	0	41	0.0	-80.54	346.65	10.23	-70.31
CC1=CC=C(Br)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063633	0	34	0.0	-61.91	295.87	9.07	-52.84
COC1=NC2=CC=C(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2S1	REAL300012063634	0	37	0.0	-68.02	324.49	5.64	-62.38
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C2	REAL300012063635	0	31	0.0	-58.69	294.38	8.81	-49.88
CC(C)(C)COC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063636	0	47	0.0	-59.76	371.57	10.17	-49.59
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=CC(Cl)=C1F)C2	REAL300012063637	0	31	0.0	-59.99	303.15	8.97	-51.02
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C2	REAL300012063638	0	34	0.0	-63.12	311.35	9.19	-53.93
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+][C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2C1	REAL300012063639	0	55	0.0	-66.39	425.97	11.03	-55.36
CC1=CC(Br)=CC(C)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063640	0	37	0.0	-61.22	314.50	9.50	-51.72
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(O)C=CC(F)=C1Br)C2	REAL300012063641	0	32	0.0	-56.27	293.26	5.57	-50.70
CC1=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC(Br)=C1	REAL300012063642	0	31	0.0	-62.23	290.39	8.22	-54.01
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063643	0	43	0.0	-70.12	358.24	9.91	-60.21
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(CC3=CC=CC=C3)C=C1)C2	REAL300012063644	0	44	0.0	-61.05	362.89	12.29	-48.76
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=CC(Cl)=C1Br)C2	REAL300012063645	0	31	0.0	-57.00	307.95	9.33	-47.67
CCCCC(=O)NC1=CC=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300012063646	0	47	0.0	-64.38	379.49	9.09	-55.29
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CSC(Br)=C1Br)C2	REAL300012063647	0	28	0.0	-56.40	288.51	8.02	-48.38
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(Br)=C1Br)C2	REAL300012063648	0	31	0.0	-55.85	295.35	8.92	-46.93
CC1=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC(Br)=C1Br	REAL300012063649	0	31	0.0	-63.81	308.40	8.74	-55.07
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=CN=C1Br)C2	REAL300012063650	0	30	0.0	-64.46	287.04	7.03	-57.43
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063651	0	52	0.0	-57.73	389.63	10.04	-47.69
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C2	REAL300012063652	0	35	0.0	-68.51	322.11	8.17	-60.34
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(C3CC(F)(F)C3(F)F)=C1)C2	REAL300012063653	0	41	0.0	-66.77	347.96	10.65	-56.12
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300012063654	0	53	0.0	-62.51	418.67	12.74	-49.77
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(C(F)(F)F)C=C1Br)C2	REAL300012063655	0	34	0.0	-65.37	314.28	9.40	-55.97
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC3=NC=C(Br)C=C3O1)C2	REAL300012063656	0	33	0.0	-68.63	304.05	7.15	-61.48
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C3SC(C(F)F)=NC3=CC=C1)C2	REAL300012063657	0	36	0.0	-61.32	325.85	8.18	-53.14
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC3=C(CCOC3)N=C1Cl)C2	REAL300012063658	0	38	0.0	-68.18	320.67	6.49	-61.69
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC3=CC(Br)=CC=C3S1)C2	REAL300012063659	0	34	0.0	-64.28	318.43	9.99	-54.29
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063660	0	44	0.0	-59.52	361.36	10.44	-49.08
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(Br)C=C1Br)C2	REAL300012063661	0	31	0.0	-62.82	296.84	9.02	-53.80
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=CC(F)=C1F)C2	REAL300012063662	0	31	0.0	-60.67	293.27	8.54	-52.13
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Cl)=C(Br)C=C1F)C2	REAL300012063663	0	31	0.0	-65.11	300.79	8.95	-56.16
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C2	REAL300012063664	0	33	0.0	-72.10	309.60	9.11	-62.99
COC1=C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=CC(Br)=C1F	REAL300012063665	0	35	0.0	-62.87	316.18	7.90	-54.97
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C2	REAL300012063666	0	34	0.0	-60.74	303.59	8.85	-51.89
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063667	0	49	0.0	-60.94	384.99	9.48	-51.46
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC3=CC=CC=C3C(Br)=C1)C2	REAL300012063668	0	37	0.0	-67.21	324.63	10.60	-56.61
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(N3CCC(O)C3)C=C1)C2	REAL300012063669	0	44	0.0	-62.89	345.35	4.83	-58.06
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=C(CN3C=C(Br)C=N3)C=C1)C2	REAL300012063670	0	41	0.0	-62.67	365.53	10.10	-52.57
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=C(F)C=C(I)C=C1F)C2	REAL300012063671	0	31	0.0	-57.55	298.52	8.97	-48.58
COC1=CC=C(OC)C(OC)=C1C[NH2+][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300012063672	0	43	0.0	-54.26	347.97	6.47	-47.79
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1)C2	REAL300012063673	0	48	0.0	-49.28	365.94	9.94	-39.34
O=C([O-])[C@]12C[C@H]1[C@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F)C2	REAL300012063674	0	45	0.0	-58.82	373.65	11.36	-47.46
COC1=CC=C(Br)C(C[NH2+][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1O	REAL300012063675	0	36	0.0	-54.16	317.03	5.50	-48.66
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300012063676	0	42	0.0	-31.18	344.96	11.33	-19.85
CC1=CC=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063677	0	42	0.0	-32.86	346.09	11.37	-21.49
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=CN=C2C=C1)C1=CC=CC(Cl)=C1	REAL300012063678	0	41	0.0	-51.73	347.55	10.16	-41.57
O=C([O-])C[C@H]([NH2+]CC1CC2C=CC1C2)C1=CC=CC(Cl)=C1	REAL300012063679	0	41	0.0	-32.27	327.20	10.62	-21.65
CC(C)(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012063680	0	48	0.0	-32.27	385.93	12.39	-19.88
O=C([O-])C[C@H]([NH2+]CC1=CNN=C1C1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300012063681	0	43	0.0	-54.17	354.80	9.65	-44.52
O=C([O-])C[C@H]([NH2+]CC1=CC=C(Br)O1)C1=CC=CC(Cl)=C1	REAL300012063682	0	33	0.0	-33.46	312.28	8.95	-24.51
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063683	0	46	0.0	-40.22	388.34	11.88	-28.34
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC(F)F	REAL300012063684	0	44	0.0	-39.25	378.20	9.54	-29.71
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC	REAL300012063685	0	47	0.0	-36.98	390.30	10.18	-26.80
O=C([O-])C[C@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300012063686	0	50	0.0	-33.17	419.59	13.43	-19.74
CCCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012063687	0	52	0.0	-34.75	425.59	12.65	-22.10
CC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1C	REAL300012063688	0	42	0.0	-33.09	342.38	11.18	-21.91
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C	REAL300012063689	0	42	0.0	-32.41	348.12	11.27	-21.14
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1Br	REAL300012063690	0	40	0.0	-35.49	359.62	10.03	-25.46
CC(C)OC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063691	0	46	0.0	-31.72	377.79	11.00	-20.72
CCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC	REAL300012063692	0	53	0.0	-36.96	433.49	11.78	-25.18
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC	REAL300012063693	0	50	0.0	-36.73	411.80	10.98	-25.75
C=CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC	REAL300012063694	0	48	0.0	-37.11	403.21	10.76	-26.35
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1)C1=CC=CC(Cl)=C1	REAL300012063695	0	43	0.0	-34.24	386.80	12.49	-21.75
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1)C1=CC=CC(Cl)=C1	REAL300012063696	0	43	0.0	-46.78	383.17	12.25	-34.53
O=C([O-])C[C@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1)C1=CC=CC(Cl)=C1	REAL300012063697	0	46	0.0	-49.94	390.30	11.46	-38.48
CCC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C2=CC=CC=C2O1	REAL300012063698	0	45	0.0	-33.75	373.33	11.98	-21.77
O=C([O-])C[C@H]([NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1)C1=CC=CC(Cl)=C1	REAL300012063699	1	42	0.0	-32.76	381.08	10.94	-21.82
O=C([O-])C[C@H]([NH2+]CC1=CC=CC=C1OC(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012063700	0	40	0.0	-48.07	350.76	9.66	-38.41
O=C([O-])C[C@H]([NH2+]CC1=CC=C(SC(F)(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012063701	0	40	0.0	-34.98	366.14	11.53	-23.45
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C([N+](=O)[O-])C=C1O	REAL300012063702	0	43	0.0	-47.01	368.61	7.84	-39.17
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Cl)=C1	REAL300012063703	0	40	0.0	-47.74	348.26	9.54	-38.20
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OC(F)(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012063704	0	40	0.0	-35.29	355.73	9.86	-25.43
N#CC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063705	0	37	0.0	-53.67	327.29	10.18	-43.49
O=C([O-])C[C@H]([NH2+]CC1=CNN=C1C1=CC=C(F)C=C1)C1=CC=CC(Cl)=C1	REAL300012063706	0	43	0.0	-55.75	361.19	9.72	-46.03
CC1=CC=C(C2=NNC=C2C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012063707	0	46	0.0	-32.14	370.55	10.01	-22.13
O=C([O-])C[C@H]([NH2+]CC1=CNN=C1C1=CC=CS1)C1=CC=CC(Cl)=C1	REAL300012063708	0	40	0.0	-34.43	348.04	9.02	-25.41
COC1=CC=C(C2=NNC=C2C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012063709	0	47	0.0	-56.30	384.22	8.95	-47.35
O=C([O-])C[C@H]([NH2+]CC1=CSC2=CC=CC=C12)C1=CC=CC(Cl)=C1	REAL300012063710	0	39	0.0	-35.80	346.79	11.46	-24.34
CCOC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=NN1CC(C)C	REAL300012063711	0	55	0.0	-42.75	432.19	9.85	-32.90
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=CC=C2OC1)C1=CC=CC(Cl)=C1	REAL300012063712	0	42	0.0	-47.99	352.56	10.30	-37.69
CC1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)O2)C=C1	REAL300012063713	0	46	0.0	-33.89	391.48	12.65	-21.24
CC1=CC=C(C2=NNC=C2C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012063714	0	43	0.0	-38.93	367.25	9.09	-29.84
O=C([O-])C[C@H]([NH2+]CC1=CNN=C1C1=CC=CN=C1)C1=CC=CC(Cl)=C1	REAL300012063715	0	42	0.0	-44.31	355.01	8.20	-36.11
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OCC2CCCO2)C=C1)C1=CC=CC(Cl)=C1	REAL300012063716	0	51	0.0	-37.82	418.06	10.67	-27.15
O=C([O-])C[C@H]([NH2+]CC1=CC=C(Cl)S1)C1=CC=CC(Cl)=C1	REAL300012063717	0	33	0.0	-34.03	317.16	9.81	-24.22
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1)C1=CC=CC(Cl)=C1	REAL300012063718	0	43	0.0	-52.53	380.31	12.64	-39.89
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=CC=CN=C21)C1=CC=CC(Cl)=C1	REAL300012063719	0	41	0.0	-34.83	349.43	10.59	-24.24
O=C([O-])C[C@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1)C1=CC=CC(Cl)=C1	REAL300012063720	0	49	0.0	-32.76	412.26	11.71	-21.05
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063721	0	45	0.0	-34.18	380.71	9.06	-25.12
O=C([O-])C[C@H]([NH2+]CC1=CC=C(N2C=CC=N2)C=C1)C1=CC=CC(Cl)=C1	REAL300012063722	0	43	0.0	-39.96	368.25	11.29	-28.67
O=C([O-])C[C@H]([NH2+]CC1=CC=C(N2C=NC=N2)C=C1)C1=CC=CC(Cl)=C1	REAL300012063723	0	42	0.0	-41.96	363.18	12.61	-29.35
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=CC=C2F)S1)C1=CC=CC(Cl)=C1	REAL300012063724	0	43	0.0	-34.83	386.90	13.02	-21.81
CCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012063725	0	39	0.0	-32.07	334.04	9.83	-22.24
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=CC=C1F)C1=CC=CC(Cl)=C1	REAL300012063726	0	36	0.0	-34.50	321.57	10.17	-24.33
O=C([O-])C[C@H]([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C1=CC=CC(Cl)=C1	REAL300012063727	0	39	0.0	-32.14	358.29	11.46	-20.68
O=C([O-])C[C@H]([NH2+]CC1=CC=C(F)C=C1Cl)C1=CC=CC(Cl)=C1	REAL300012063728	0	36	0.0	-48.81	325.18	10.32	-38.49
O=C([O-])C[C@H]([NH2+]CC1=CC=C(F)C(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300012063729	0	36	0.0	-36.69	332.30	10.62	-26.07
O=C([O-])C[C@H]([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C1=CC=CC(Cl)=C1	REAL300012063730	0	39	0.0	-38.35	354.02	11.11	-27.24
CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063731	0	43	0.0	-45.85	357.79	10.02	-35.83
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012063732	0	39	0.0	-36.35	336.42	10.77	-25.58
O=C([O-])C[C@H]([NH2+]CC1=CC(Cl)=CC=C1Cl)C1=CC=CC(Cl)=C1	REAL300012063733	0	36	0.0	-32.01	339.08	11.03	-20.98
O=C([O-])C[C@H]([NH2+]CC1=CC=C(F)C=C1C(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012063734	0	39	0.0	-36.02	341.54	11.05	-24.97
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=C(F)C(F)=C1)C1=CC=CC(Cl)=C1	REAL300012063735	0	36	0.0	-55.87	325.07	9.98	-45.89
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C1=CC=CC(Cl)=C1	REAL300012063736	0	39	0.0	-56.53	351.53	10.88	-45.65
O=C([O-])C[C@H]([NH2+]CC1=CC(C(F)(F)F)=CC=C1F)C1=CC=CC(Cl)=C1	REAL300012063737	0	39	0.0	-33.30	353.48	11.11	-22.19
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Cl)=C1OC	REAL300012063738	0	44	0.0	-40.98	384.55	9.87	-31.11
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=CC(Cl)=C1	REAL300012063739	0	39	0.0	-45.48	343.45	11.34	-34.14
O=C([O-])C[C@H]([NH2+]CC1=CC=C(Cl)C(F)=C1)C1=CC=CC(Cl)=C1	REAL300012063740	0	36	0.0	-36.75	332.30	10.63	-26.12
O=C([O-])C[C@H]([NH2+]CC1=CC(Cl)=CC=C1OC(F)F)C1=CC=CC(Cl)=C1	REAL300012063741	0	40	0.0	-33.65	364.20	10.21	-23.44
O=C([O-])C[C@H]([NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1)C1=CC=CC(Cl)=C1	REAL300012063742	0	46	0.0	-38.20	375.80	8.06	-30.14
O=C([O-])C[C@H]([NH2+]CC1=CC=CN=C1Cl)C1=CC=CC(Cl)=C1	REAL300012063743	0	35	0.0	-33.17	314.45	8.62	-24.55
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=CC=CC(Cl)=C1	REAL300012063744	0	49	0.0	-37.78	416.04	11.60	-26.18
CC(C)C1=NN(C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063745	0	45	0.0	-52.39	371.68	9.47	-42.92
CC(C)C1=NN(C)C(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063746	1	45	0.0	-43.32	386.15	9.76	-33.56
COCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063747	0	47	0.0	-47.60	391.41	9.29	-38.31
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1Cl	REAL300012063748	0	40	0.0	-35.66	355.23	9.91	-25.75
O=C([O-])C[C@H]([NH2+]CC1=CSC(C2=CC=CC=N2)=N1)C1=CC=CC(Cl)=C1	REAL300012063749	1	41	0.0	-34.74	370.15	9.02	-25.72
CC(C)N1C2=CC=CC=C2N=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063750	1	48	0.0	-33.56	391.09	11.63	-21.93
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C1=CC=CC(Cl)=C1	REAL300012063751	0	43	0.0	-48.76	377.36	10.49	-38.27
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=C1OCCO2)C1=CC=CC(Cl)=C1	REAL300012063752	0	42	0.0	-34.01	352.89	9.28	-24.73
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=C1OCCCO2)C1=CC=CC(Cl)=C1	REAL300012063753	0	45	0.0	-33.30	370.10	10.08	-23.22
CCCN1C2=CC=CC=C2N=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063754	1	48	0.0	-38.08	393.60	12.03	-26.05
CCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063755	0	46	0.0	-34.24	382.75	11.11	-23.13
O=C([O-])C[C@H]([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C1=CC=CC(Cl)=C1	REAL300012063756	0	43	0.0	-34.84	375.94	12.67	-22.17
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C1=CC=CC(Cl)=C1	REAL300012063757	0	50	0.0	-33.65	404.62	12.34	-21.31
CC(C)OC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063758	0	46	0.0	-46.47	375.73	10.65	-35.82
CC1=CC=C(C2=NC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CS2)C=C1	REAL300012063759	1	45	0.0	-32.12	396.08	11.55	-20.57
CC(C)C1=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CS1	REAL300012063760	1	41	0.0	-42.97	353.83	8.83	-34.14
CC(C)(C)C1=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CS1	REAL300012063761	1	44	0.0	-42.74	372.77	9.34	-33.40
O=C([O-])C[C@H]([NH2+]CC1=CSC(C2=CSC=C2)=N1)C1=CC=CC(Cl)=C1	REAL300012063762	1	39	0.0	-44.40	361.95	9.52	-34.88
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C1=CC=CC(Cl)=C1	REAL300012063763	0	43	0.0	-33.91	384.15	12.93	-20.98
CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063764	0	50	0.0	-42.24	415.67	10.94	-31.30
O=C([O-])C[C@H]([NH2+]CC1=CC=CC=C1OC1CCCC1)C1=CC=CC(Cl)=C1	REAL300012063765	0	50	0.0	-31.70	403.36	12.33	-19.37
CC1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)S2)C=C1	REAL300012063766	0	46	0.0	-34.14	399.14	13.54	-20.60
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063767	0	40	0.0	-35.62	371.99	10.52	-25.10
CCOC1=C(OC)C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC	REAL300012063768	0	51	0.0	-52.50	419.82	9.85	-42.65
COCCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063769	0	50	0.0	-47.64	412.96	9.89	-37.75
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CN=C1Cl	REAL300012063770	0	38	0.0	-52.02	336.93	9.02	-43.00
COC1=CC=C(OC(F)F)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063771	0	44	0.0	-33.90	376.94	8.97	-24.93
O=C([O-])C[C@H]([NH2+]CC1=C(Cl)C=CC=C1OC(F)F)C1=CC=CC(Cl)=C1	REAL300012063772	1	40	0.0	-30.45	361.74	10.12	-20.33
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC1=CC=CN=C1	REAL300012063773	0	49	0.0	-37.95	412.28	11.78	-26.17
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)S2)C=C1	REAL300012063774	0	45	0.0	-51.92	392.49	11.50	-40.42
O=C([O-])C[C@H]([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=CC=CC(Cl)=C1	REAL300012063775	0	41	0.0	-46.52	362.67	10.84	-35.68
O=C([O-])C[C@H]([NH2+]CC1=CC=C(F)C2=CC=CN=C12)C1=CC=CC(Cl)=C1	REAL300012063776	0	41	0.0	-48.58	351.59	10.36	-38.22
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=CC2=CC=CN=C21)C1=CC=CC(Cl)=C1	REAL300012063777	0	41	0.0	-47.31	352.38	10.40	-36.91
O=C([O-])C[C@H]([NH2+]CC1=CC=C(Cl)C2=CC=CN=C12)C1=CC=CC(Cl)=C1	REAL300012063778	0	41	0.0	-48.02	360.44	10.75	-37.27
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)C1=CC=CC(Cl)=C1	REAL300012063779	0	43	0.0	-35.72	384.63	12.15	-23.57
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012063780	0	46	0.0	-47.55	393.22	12.44	-35.11
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)O2)C=C1	REAL300012063781	0	49	0.0	-33.37	413.02	13.42	-19.95
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(OC(F)F)=C1	REAL300012063782	0	44	0.0	-39.77	377.33	9.01	-30.76
COC1=CC=C2OC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC2=C1	REAL300012063783	0	43	0.0	-36.06	367.24	9.89	-26.17
O=C([O-])C[C@H]([NH2+]CC=CC1=CC=C(Cl)C=C1)C1=CC=CC(Cl)=C1	REAL300012063784	0	40	0.0	-35.74	357.66	11.91	-23.83
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C2=CC=CC=C2O1	REAL300012063785	0	42	0.0	-33.38	357.98	11.20	-22.18
O=C([O-])C[C@H]([NH2+]CC1=COC2=CC=CC=C12)C1=CC=CC(Cl)=C1	REAL300012063786	0	39	0.0	-35.49	337.81	10.46	-25.03
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OC2=CC=CC=C2)O1)C1=CC=CC(Cl)=C1	REAL300012063787	0	44	0.0	-34.57	376.20	11.89	-22.68
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1Br	REAL300012063788	0	39	0.0	-35.25	349.19	11.25	-24.00
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N=C1	REAL300012063789	0	38	0.0	-31.31	326.11	8.89	-22.42
O=C([O-])C[C@H]([NH2+]CC=CC1=CC=C(F)C=C1F)C1=CC=CC(Cl)=C1	REAL300012063790	0	40	0.0	-52.22	349.47	11.22	-41.00
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1Br	REAL300012063791	0	39	0.0	-34.21	349.38	11.27	-22.94
O=C([O-])C[C@H]([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C1=CC=CC(Cl)=C1	REAL300012063792	1	43	0.0	-33.86	368.78	11.21	-22.65
O=C([O-])C[C@H]([NH2+]CC1=C(Cl)SC=C1)C1=CC=CC(Cl)=C1	REAL300012063793	0	33	0.0	-30.00	313.96	9.60	-20.40
O=C([O-])C[C@H]([NH2+]CC1=CC(Cl)=CC2=C1OCC2)C1=CC=CC(Cl)=C1	REAL300012063794	0	41	0.0	-32.44	362.40	10.41	-22.03
O=C([O-])C[C@H]([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=CC(Cl)=C1	REAL300012063795	0	40	0.0	-36.38	348.22	10.10	-26.28
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=CC(Cl)=C1	REAL300012063796	0	40	0.0	-55.75	344.80	9.83	-45.92
CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012063797	0	42	0.0	-51.02	355.09	7.39	-43.63
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC2=CC=CN=C12	REAL300012063798	0	44	0.0	-38.01	371.14	11.28	-26.73
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1Cl	REAL300012063799	0	39	0.0	-34.21	345.35	11.19	-23.02
O=C([O-])C[C@H]([NH2+]CC1=CN=C2C=CSC2=C1)C1=CC=CC(Cl)=C1	REAL300012063800	0	38	0.0	-37.51	341.76	9.56	-27.95
CCCC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063801	0	45	0.0	-32.32	374.08	12.27	-20.05
CCN(CC)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012063802	0	50	0.0	-34.81	409.17	11.14	-23.67
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C(SC)C=C1OC	REAL300012063803	0	48	0.0	-37.17	404.24	10.21	-26.96
COC1=CC=C2N=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)SC2=C1	REAL300012063804	0	42	0.0	-37.37	371.54	8.90	-28.47
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063805	1	42	0.0	-34.71	373.72	10.94	-23.77
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C#N	REAL300012063806	0	41	0.0	-40.94	359.41	9.78	-31.16
O=C([O-])C[C@H]([NH2+]CC1=CC=C(SC(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012063807	0	40	0.0	-34.92	359.71	11.35	-23.57
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063808	0	42	0.0	-31.98	357.59	11.57	-20.41
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C1=CC=CC(Cl)=C1	REAL300012063809	0	40	0.0	-38.67	355.18	9.71	-28.96
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N=C1	REAL300012063810	0	42	0.0	-32.40	356.30	8.46	-23.94
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063811	0	42	0.0	-34.83	362.61	11.69	-23.14
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(Cl)=C1OC	REAL300012063812	0	44	0.0	-56.74	384.77	9.63	-47.11
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OCC(C)C	REAL300012063813	0	53	0.0	-36.54	431.90	11.66	-24.88
CCCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC	REAL300012063814	0	50	0.0	-36.73	411.80	10.98	-25.75
O=C([O-])C[C@H]([NH2+]CC1=CC=C(Br)S1)C1=CC=CC(Cl)=C1	REAL300012063815	0	33	0.0	-33.96	321.79	9.91	-24.05
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(Cl)=C1OC	REAL300012063816	0	47	0.0	-56.58	406.62	10.55	-46.03
C=CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063817	0	44	0.0	-46.04	370.69	10.61	-35.43
COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1OC(C)C	REAL300012063818	0	50	0.0	-36.34	407.71	11.10	-25.24
CCOC1=C(Cl)C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC	REAL300012063819	0	47	0.0	-56.57	406.62	10.58	-45.99
CCCOC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=CC=C1OCC	REAL300012063820	0	53	0.0	-31.31	427.44	12.11	-19.20
CCCCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC	REAL300012063821	0	53	0.0	-36.09	433.49	11.78	-24.31
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC(F)F	REAL300012063822	0	44	0.0	-35.41	378.40	9.57	-25.84
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC(F)F	REAL300012063823	0	47	0.0	-39.03	400.06	10.46	-28.57
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(C)=C1OC(F)F	REAL300012063824	0	46	0.0	-48.76	384.61	10.85	-37.91
CCOC1=CC2=C(C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1)OC(C)C2	REAL300012063825	0	51	0.0	-32.08	416.84	10.96	-21.12
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC2=C1OCCO2	REAL300012063826	0	46	0.0	-37.92	383.59	9.11	-28.81
CCCCN1N=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Cl	REAL300012063827	1	48	0.0	-32.94	412.76	11.14	-21.80
CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1OC(F)F	REAL300012063828	0	47	0.0	-34.00	394.18	10.90	-23.10
CC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C	REAL300012063829	0	45	0.0	-30.68	363.80	11.82	-18.86
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)S1)C1=CC=CC(Cl)=C1	REAL300012063830	0	43	0.0	-50.84	373.91	12.57	-38.27
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1)C1=CC=CC(Cl)=C1	REAL300012063831	0	43	0.0	-51.00	381.00	11.87	-39.13
CC(C)(C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1)C1=CC=CC=C1	REAL300012063832	0	45	0.0	-33.84	358.00	11.80	-22.04
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2CCCCC2)=N1	REAL300012063833	0	52	0.0	-52.17	412.86	11.36	-40.81
CC1CCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300012063834	0	45	0.0	-31.39	351.61	11.02	-20.37
CC(CCC1=CC=CC=C1)C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063835	0	48	0.0	-32.89	388.78	12.95	-19.94
CCC1CCCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C1	REAL300012063836	0	48	0.0	-31.27	369.83	11.67	-19.60
CC1(C)CCC2=C(C1)SC(C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1)=N2	REAL300012063837	1	48	0.0	-35.47	394.12	10.75	-24.72
CCC1=CC=CC(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063838	0	42	0.0	-38.35	352.95	11.62	-26.73
CC1=C(C)C=C2OC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC2=C1	REAL300012063839	0	45	0.0	-34.18	376.78	11.83	-22.35
CCCC1CCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300012063840	0	51	0.0	-31.26	391.32	12.42	-18.84
CC1CCCCC1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063841	0	45	0.0	-33.67	348.06	10.88	-22.79
O=C([O-])C[C@H]([NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1)C1=CC=CC(Cl)=C1	REAL300012063842	0	43	0.0	-55.04	371.51	10.17	-44.87
O=C([O-])C[C@H]([NH2+]CC1=CC=C(N2C=CN=C2)C=C1)C1=CC=CC(Cl)=C1	REAL300012063843	0	43	0.0	-39.44	365.85	12.47	-26.97
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=CC=C2F)O1)C1=CC=CC(Cl)=C1	REAL300012063844	0	43	0.0	-47.90	374.72	11.81	-36.09
O=C([O-])C[C@H]([NH2+]CC1=CC(Cl)=C2OCCOC2=C1)C1=CC=CC(Cl)=C1	REAL300012063845	0	42	0.0	-37.98	370.30	9.78	-28.20
CCCCC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C2=CC=CC=C2O1	REAL300012063846	0	51	0.0	-32.80	422.46	13.54	-19.26
O=C([O-])C[C@H]([NH2+]CC1=CC(Cl)=C2OCCCOC2=C1)C1=CC=CC(Cl)=C1	REAL300012063847	0	45	0.0	-38.90	388.73	10.56	-28.34
COC1=CC=C(C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063848	0	43	0.0	-31.42	359.52	10.10	-21.32
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012063849	0	40	0.0	-37.11	345.43	9.44	-27.67
O=C([O-])C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C1=CC=CC(Cl)=C1	REAL300012063850	0	45	0.0	-35.44	368.15	11.33	-24.11
CC(C)C1CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CCO1	REAL300012063851	0	49	0.0	-33.92	379.92	10.21	-23.71
CC1(C)CCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300012063852	0	48	0.0	-34.45	365.06	11.31	-23.14
CCSC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063853	0	43	0.0	-45.90	368.11	11.65	-34.25
O=C([O-])C[C@H]([NH2+]CC1=C(O)C=CC(Cl)=C1F)C1=CC=CC(Cl)=C1	REAL300012063854	1	37	0.0	-33.13	341.07	7.83	-25.30
COC1(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CCCCC1	REAL300012063855	0	46	0.0	-46.62	348.32	9.10	-37.52
CCN1N=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C2=CC=CC=C21	REAL300012063856	0	45	0.0	-33.21	381.59	10.86	-22.35
COCCC1(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CCCCC1	REAL300012063857	0	52	0.0	-48.79	384.45	10.01	-38.78
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012063858	0	46	0.0	-34.77	382.59	11.09	-23.68
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=CC=C2O1)C1=CC=CC(Cl)=C1	REAL300012063859	0	39	0.0	-34.29	337.77	10.61	-23.68
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)O1)C1=CC=CC(Cl)=C1	REAL300012063860	0	43	0.0	-34.02	370.08	11.97	-22.05
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC(C)C	REAL300012063861	0	50	0.0	-36.46	408.62	10.88	-25.58
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OCC	REAL300012063862	0	53	0.0	-36.61	433.65	11.90	-24.71
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1[N+](=O)[O-]	REAL300012063863	0	41	0.0	-44.40	356.73	11.39	-33.01
CC(C)OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012063864	0	46	0.0	-33.84	379.41	10.99	-22.85
CC(C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012063865	0	57	0.0	-35.19	442.73	14.44	-20.75
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1F	REAL300012063866	0	39	0.0	-35.07	336.61	10.78	-24.29
O=C([O-])C[C@H]([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=CC(Cl)=C1	REAL300012063867	0	40	0.0	-33.15	341.09	10.08	-23.07
O=C([O-])C[C@H]([NH2+]CC1=C(Br)C=CS1)C1=CC=CC(Cl)=C1	REAL300012063868	0	33	0.0	-33.51	319.56	9.72	-23.79
O=C([O-])C[C@H]([NH2+]CC1=CC=CC=C1N1CCOCC1)C1=CC=CC(Cl)=C1	REAL300012063869	0	49	0.0	-30.83	392.57	9.56	-21.27
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=CC=C1Br)C1=CC=CC(Cl)=C1	REAL300012063870	1	36	0.0	-31.79	332.35	10.68	-21.11
CC(C)CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012063871	0	48	0.0	-31.81	391.09	12.76	-19.05
CC1=CC=C(C2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=C2)C=C1	REAL300012063872	0	49	0.0	-33.55	405.51	14.17	-19.38
COC1=CC=C(Br)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063873	0	40	0.0	-30.56	350.33	9.79	-20.77
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1[N+](=O)[O-]	REAL300012063874	0	42	0.0	-47.34	365.42	10.82	-36.52
O=C([O-])C[C@H]([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300012063875	0	36	0.0	-35.23	343.29	11.09	-24.14
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=CC(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300012063876	0	36	0.0	-54.37	329.20	10.37	-44.00
CC1=CC=CC(C)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063877	0	42	0.0	-30.25	340.88	11.08	-19.17
O=C([O-])C[C@H]([NH2+]CC1=CC(Br)=CO1)C1=CC=CC(Cl)=C1	REAL300012063878	0	33	0.0	-34.52	312.29	8.86	-25.66
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063879	0	49	0.0	-32.85	405.99	14.17	-18.68
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=CC(Cl)=C1	REAL300012063880	0	40	0.0	-49.09	345.69	9.38	-39.71
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OCC	REAL300012063881	0	50	0.0	-36.79	412.16	11.10	-25.69
O=C([O-])C[C@H]([NH2+]CC1=CC=C(Cl)C=C1F)C1=CC=CC(Cl)=C1	REAL300012063882	0	36	0.0	-50.22	328.36	10.35	-39.87
O=C([O-])C[C@H]([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=CC=CC(Cl)=C1	REAL300012063883	0	39	0.0	-37.50	361.60	11.47	-26.03
O=C([O-])C[C@H]([NH2+]CC1=CC=C(F)C=C1Br)C1=CC=CC(Cl)=C1	REAL300012063884	0	36	0.0	-47.96	328.74	10.41	-37.55
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CC=CC(Cl)=C1	REAL300012063885	0	40	0.0	-48.83	352.43	9.59	-39.24
O=C([O-])C[C@H]([NH2+]CC1=CC(Cl)=CC=C1F)C1=CC=CC(Cl)=C1	REAL300012063886	0	36	0.0	-33.96	331.89	10.61	-23.35
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012063887	0	50	0.0	-34.69	418.11	13.15	-21.54
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=CC(F)=C1)C1=CC=CC(Cl)=C1	REAL300012063888	0	36	0.0	-36.51	322.66	10.21	-26.30
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(Cl)=C1F)C1=CC=CC(Cl)=C1	REAL300012063889	0	36	0.0	-38.32	331.35	10.60	-27.72
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C2=CC=CC=C12	REAL300012063890	0	46	0.0	-35.09	379.07	11.54	-23.55
O=C([O-])C[C@H]([NH2+]CC1=C(C2=CC=CC=C2)C=NN1)C1=CC=CC(Cl)=C1	REAL300012063891	0	43	0.0	-35.93	364.64	10.16	-25.77
O=C([O-])C[C@H]([NH2+]CC1=NNC=C1C1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300012063891	1	43	0.0	-32.92	362.34	9.83	-23.09
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(F)=C1F)C1=CC=CC(Cl)=C1	REAL300012063892	0	36	0.0	-39.78	321.46	10.16	-29.62
CN1C2=CC=CC=C2N=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063893	1	42	0.0	-34.32	357.15	10.45	-23.87
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012063894	0	39	0.0	-36.21	336.94	6.78	-29.43
O=C([O-])C[C@H]([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=CC(Cl)=C1	REAL300012063895	0	41	0.0	-48.45	341.95	9.64	-38.81
O=C([O-])C[C@H]([NH2+]CC1=CSC(Br)=C1)C1=CC=CC(Cl)=C1	REAL300012063896	0	33	0.0	-47.36	318.09	9.48	-37.88
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1)C1=CC=CC(Cl)=C1	REAL300012063897	0	46	0.0	-34.43	384.11	13.49	-20.94
O=C([O-])C[C@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1)C1=CC=CC(Cl)=C1	REAL300012063898	0	49	0.0	-33.08	414.43	11.64	-21.44
O=C([O-])C[C@H]([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=CC(Cl)=C1	REAL300012063899	0	47	0.0	-35.09	383.82	9.99	-25.10
O=C([O-])C[C@H]([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=CC(Cl)=C1	REAL300012063900	0	40	0.0	-32.51	341.07	10.10	-22.41
CC1=CC(F)=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063901	0	39	0.0	-33.97	329.94	10.74	-23.23
O=C([O-])C[C@H]([NH2+]CC1=CC=C(Br)C(F)=C1)C1=CC=CC(Cl)=C1	REAL300012063902	0	36	0.0	-36.76	336.71	10.73	-26.03
CC1=NC(C)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012063903	0	38	0.0	-33.71	335.71	8.53	-25.18
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)C1=CC=CC(Cl)=C1	REAL300012063904	0	45	0.0	-47.07	378.09	11.68	-35.39
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=CC(Cl)=C1	REAL300012063905	0	45	0.0	-37.20	379.12	11.73	-25.47
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC=CC(Cl)=C1	REAL300012063906	0	45	0.0	-36.95	379.31	11.74	-25.21
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063907	0	51	0.0	-33.00	402.70	10.62	-22.38
CN1CCN(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2)CC1	REAL300012063908	1	53	0.0	-36.28	418.95	8.76	-27.52
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=CC=CC(Cl)=C1	REAL300012063909	0	45	0.0	-38.61	390.40	8.65	-29.96
CNC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012063910	0	43	0.0	-43.36	366.21	8.35	-35.01
O=C([O-])C[C@H]([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CC=CC(Cl)=C1	REAL300012063911	0	43	0.0	-52.27	371.30	11.07	-41.20
O=C([O-])C[C@H]([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=CC=CC(Cl)=C1	REAL300012063912	0	43	0.0	-51.69	381.62	11.53	-40.16
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012063913	0	43	0.0	-37.70	380.66	10.75	-26.95
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=CC=C2C=C1)C1=CC=CC(Cl)=C1	REAL300012063914	0	42	0.0	-33.96	356.00	12.34	-21.62
COC1=C2OC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC2=CC=C1	REAL300012063915	0	43	0.0	-36.12	367.27	9.90	-26.22
CC(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1[N+](=O)[O-]	REAL300012063916	0	47	0.0	-38.46	391.90	12.23	-26.23
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063917	0	52	0.0	-47.85	428.25	12.41	-35.44
O=C([O-])C[C@H]([NH2+]CC1=CC(Br)=CC=C1F)C1=CC=CC(Cl)=C1	REAL300012063918	0	36	0.0	-33.82	336.46	10.72	-23.10
O=C([O-])C[C@H]([NH2+]CC1=CC=C(Br)C=C1F)C1=CC=CC(Cl)=C1	REAL300012063919	0	36	0.0	-50.29	332.93	10.46	-39.83
COC1=CC(OC)=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063920	0	44	0.0	-35.21	368.83	8.69	-26.52
COC1=CC2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2C=C1	REAL300012063921	0	46	0.0	-35.68	385.35	11.64	-24.04
O=C([O-])C[C@H]([NH2+]CC1=CC(Br)=CS1)C1=CC=CC(Cl)=C1	REAL300012063923	0	33	0.0	-33.43	321.40	9.79	-23.64
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063924	0	49	0.0	-37.01	407.53	12.22	-24.79
COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1OC(F)F	REAL300012063925	0	44	0.0	-35.96	376.43	9.66	-26.30
O=C([O-])C[C@H]([NH2+]CC1=CC=C(CSC(F)F)O1)C1=CC=CC(Cl)=C1	REAL300012063926	0	40	0.0	-34.34	370.42	10.67	-23.67
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=CC=C2NC1=O)C1=CC=CC(Cl)=C1	REAL300012063927	0	42	0.0	-32.42	360.25	9.15	-23.27
O=C([O-])C[C@H]([NH2+]CC1=CC=C(F)C(Br)=C1)C1=CC=CC(Cl)=C1	REAL300012063929	0	36	0.0	-36.52	336.71	10.72	-25.80
O=C([O-])C[C@H]([NH2+]CC1=CC=C(N2CCCCC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012063930	0	51	0.0	-33.01	402.77	11.36	-21.65
CCCCCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063931	0	55	0.0	-45.56	443.78	13.17	-32.39
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1SC	REAL300012063932	0	44	0.0	-36.76	378.61	10.41	-26.35
N#CCCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063933	0	47	0.0	-53.28	400.14	11.34	-41.94
CCC(C)OC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC	REAL300012063934	0	53	0.0	-36.53	428.98	11.60	-24.93
C=C(C)COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC	REAL300012063935	0	51	0.0	-37.44	422.59	11.54	-25.90
C=CCC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(OC)=C1O	REAL300012063936	0	48	0.0	-39.22	404.77	9.23	-29.99
O=C([O-])C[C@H]([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1=CC=CC(Cl)=C1	REAL300012063937	0	43	0.0	-40.09	369.29	10.02	-30.07
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063938	0	45	0.0	-36.48	387.78	11.02	-25.46
O=C([O-])C[C@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=N1)C1=CC=CC(Cl)=C1	REAL300012063939	1	42	0.0	-36.94	362.64	9.89	-27.05
O=C([O-])C[C@H]([NH2+]CC1=NC(C2=CC=CC=C2)=CS1)C1=CC=CC(Cl)=C1	REAL300012063940	1	42	0.0	-37.11	372.89	10.83	-26.28
O=C([O-])C[C@H]([NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1)C1=CC=CC(Cl)=C1	REAL300012063941	0	49	0.0	-36.57	403.75	9.20	-27.37
CN1C=NC2=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC=C21	REAL300012063942	0	42	0.0	-40.92	358.22	11.43	-29.49
CCN1N=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1C	REAL300012063943	0	45	0.0	-33.18	370.88	9.62	-23.56
C=CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1Cl	REAL300012063944	0	44	0.0	-35.60	389.99	11.42	-24.18
O=C([O-])C[C@H]([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C1=CC=CC(Cl)=C1	REAL300012063945	0	42	0.0	-35.48	374.73	11.09	-24.39
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C2OC(C)CC2=C1	REAL300012063946	0	48	0.0	-34.05	396.33	9.96	-24.09
CC1(C)CC2=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC=C2O1	REAL300012063947	0	47	0.0	-35.43	387.24	11.33	-24.10
O=C([O-])C[C@H]([NH2+]CC1=COC(C2=CC=CC=C2)=N1)C1=CC=CC(Cl)=C1	REAL300012063948	1	42	0.0	-34.29	366.39	8.50	-25.79
O=C([O-])C[C@H]([NH2+]CC1=CSC(C2=CC=CS2)=N1)C1=CC=CC(Cl)=C1	REAL300012063949	1	39	0.0	-32.36	366.31	9.91	-22.45
CC1=CC=CC(C2=NNC=C2C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063950	0	46	0.0	-54.27	376.17	10.32	-43.95
CC1=CC=C(F)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063951	0	39	0.0	-30.43	335.83	10.77	-19.66
CC1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063952	0	39	0.0	-33.60	331.07	10.77	-22.83
O=C([O-])C[C@H]([NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)C1=CC=CC(Cl)=C1	REAL300012063953	0	39	0.0	-55.75	361.85	11.31	-44.44
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Br)=C1	REAL300012063954	0	39	0.0	-44.68	343.75	11.01	-33.67
CC1=NC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063955	0	38	0.0	-34.87	320.47	8.83	-26.04
CC(C)COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012063956	0	49	0.0	-34.52	402.70	11.79	-22.73
COCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012063957	0	47	0.0	-37.00	394.72	9.56	-27.44
CC1(C)CCCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C1	REAL300012063958	0	48	0.0	-31.82	365.05	11.30	-20.52
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300012063959	0	40	0.0	-37.55	364.99	10.18	-27.37
CC1=CCCC(C)C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063960	0	46	0.0	-45.16	349.78	11.16	-34.00
COC1=CC2=C(C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1)OCO2	REAL300012063961	0	43	0.0	-34.99	363.82	8.10	-26.89
O=C([O-])C[C@H]([NH2+]CC1=CN=CC2=CC=CC=C21)C1=CC=CC(Cl)=C1	REAL300012063962	0	41	0.0	-33.71	346.19	10.43	-23.28
CC(C)COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063963	0	49	0.0	-34.02	402.85	11.81	-22.21
CC1=CC(Cl)=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063964	0	39	0.0	-33.23	340.28	11.18	-22.05
O=C([O-])C[C@H]([NH2+]CC=CC1=CC=C(F)C=C1)C1=CC=CC(Cl)=C1	REAL300012063965	0	40	0.0	-36.59	347.34	11.46	-25.13
O=C([O-])C[C@H]([NH2+]CC1=CC=C(Cl)N=C1)C1=CC=CC(Cl)=C1	REAL300012063966	0	35	0.0	-52.02	317.77	8.43	-43.59
O=C([O-])C[C@H]([NH2+]CC1=CN=CC(Br)=C1)C1=CC=CC(Cl)=C1	REAL300012063967	0	35	0.0	-37.99	326.06	8.90	-29.09
CN1N=NC2=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC=C21	REAL300012063968	0	41	0.0	-40.33	353.82	8.53	-31.80
O=C([O-])C[C@H]([NH2+]CC1CCCCCC1)C1=CC=CC(Cl)=C1	REAL300012063969	0	45	0.0	-31.55	341.99	10.86	-20.69
CC1(C)CC2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=C2O1	REAL300012063970	0	47	0.0	-33.24	387.10	11.30	-21.94
COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012063971	0	39	0.0	-33.34	337.06	6.75	-26.59
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CC=CC=C2)=N1	REAL300012063972	0	46	0.0	-47.17	378.46	10.94	-36.23
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=CC(Cl)=C1	REAL300012063973	0	43	0.0	-49.09	364.85	10.99	-38.10
CC(C)N1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012063974	0	42	0.0	-47.64	349.08	8.99	-38.65
CC1=C(Br)SC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063975	0	36	0.0	-46.10	337.56	10.23	-35.87
CC1=NC2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2C=C1	REAL300012063976	0	44	0.0	-51.89	369.13	10.77	-41.12
O=C([O-])C[C@H]([NH2+]CC1=NC=CC=C1C(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012063977	0	38	0.0	-31.84	330.91	9.08	-22.76
CC1=CC(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2)=CC(C)=C1	REAL300012063978	0	52	0.0	-34.49	426.91	14.82	-19.67
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1N1C=NC=N1	REAL300012063979	0	45	0.0	-40.86	383.34	13.68	-27.18
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC(F)=CC=C2O1)C1=CC=CC(Cl)=C1	REAL300012063980	0	39	0.0	-35.50	344.19	10.68	-24.82
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012063981	0	43	0.0	-39.98	374.11	10.61	-29.37
COCC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012063982	0	43	0.0	-34.15	364.76	9.79	-24.36
CCCCOC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063983	0	49	0.0	-32.04	402.66	11.96	-20.08
O=C([O-])C[C@H]([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1=CC=CC(Cl)=C1	REAL300012063984	0	47	0.0	-36.33	410.00	14.20	-22.13
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C(OC(F)F)C=C1C	REAL300012063985	0	46	0.0	-36.25	386.95	10.94	-25.31
COC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC	REAL300012063986	0	47	0.0	-37.26	383.38	9.89	-27.37
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063987	1	42	0.0	-35.23	373.78	10.94	-24.29
O=C([O-])C[C@H]([NH2+]CC1=CNN=C1C1=CSC=C1)C1=CC=CC(Cl)=C1	REAL300012063988	0	40	0.0	-51.73	348.72	8.82	-42.91
O=C([O-])C[C@H]([NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1)C1=CC=CC(Cl)=C1	REAL300012063989	0	46	0.0	-37.16	400.55	11.82	-25.34
CC1CCC2=C(C1)SC(C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1)=N2	REAL300012063990	1	45	0.0	-34.01	379.05	10.42	-23.59
CC(C)(C)C1CCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300012063991	0	54	0.0	-30.31	391.53	12.14	-18.17
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063992	0	50	0.0	-48.19	408.43	12.57	-35.62
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063993	0	50	0.0	-35.63	412.22	12.85	-22.78
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C(C)O1	REAL300012063994	0	39	0.0	-31.80	331.58	9.68	-22.12
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012063995	0	49	0.0	-38.55	407.42	11.10	-27.45
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OCC2CC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012063996	0	47	0.0	-35.03	392.77	11.87	-23.16
COC1=CC(Cl)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1Cl	REAL300012063997	0	40	0.0	-35.63	368.09	10.39	-25.24
CC(C)CC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012063998	0	44	0.0	-33.96	377.55	10.25	-23.71
O=C([O-])C[C@H]([NH2+]CC1=CN=C(C2=CC=CS2)S1)C1=CC=CC(Cl)=C1	REAL300012063999	0	39	0.0	-36.04	366.79	10.19	-25.85
O=C([O-])C[C@H]([NH2+]CC1=CN=C(C2=CSC=C2)S1)C1=CC=CC(Cl)=C1	REAL300012064000	0	39	0.0	-35.20	365.86	10.03	-25.17
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)S2)O1	REAL300012064001	0	42	0.0	-53.81	375.77	9.72	-44.09
CC1=CC(Br)=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064002	0	39	0.0	-33.21	344.84	11.28	-21.93
O=C([O-])C[C@H]([NH2+]CC1=CNN=C1C1=CC=CC=C1F)C1=CC=CC(Cl)=C1	REAL300012064003	0	43	0.0	-40.48	372.65	10.01	-30.47
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)C1=CC=CC(Cl)=C1	REAL300012064004	0	45	0.0	-35.37	383.38	11.78	-23.59
O=C([O-])C[C@H]([NH2+]CC1=C(Cl)OC2=CC=CC=C21)C1=CC=CC(Cl)=C1	REAL300012064005	0	39	0.0	-31.59	354.03	11.05	-20.54
COCCOC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064006	0	47	0.0	-32.57	393.29	9.64	-22.93
COC1=C(Br)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064007	0	40	0.0	-36.84	359.58	10.11	-26.73
O=C([O-])C[C@H]([NH2+]CC1=NC2=C(CCC2)S1)C1=CC=CC(Cl)=C1	REAL300012064008	1	39	0.0	-35.06	340.33	9.23	-25.83
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CC=CS2)=N1	REAL300012064009	0	43	0.0	-37.83	371.04	10.31	-27.52
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064010	0	40	0.0	-35.10	339.24	9.36	-25.74
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1)C1=CC=CC(Cl)=C1	REAL300012064011	0	43	0.0	-34.68	376.49	12.04	-22.64
CC(C)(C)C1=NC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064012	0	44	0.0	-35.47	376.73	9.88	-25.59
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CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012064179	0	43	0.0	-36.90	367.28	10.36	-26.54
COC1=CC=CC2=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=CC=C12	REAL300012064180	0	46	0.0	-37.43	379.21	11.57	-25.86
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COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1C#N	REAL300012064182	0	41	0.0	-42.53	359.41	9.78	-32.75
CC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064183	0	46	0.0	-32.62	378.45	11.72	-20.90
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1C#N	REAL300012064185	0	40	0.0	-39.29	349.90	10.98	-28.31
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COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Br)=C1	REAL300012064187	0	40	0.0	-46.95	351.81	9.63	-37.32
CC1=CN=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064188	1	35	0.0	-34.28	316.43	8.00	-26.28
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CCC1=CC=CC(F)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064220	0	42	0.0	-39.92	345.34	11.20	-28.72
O=C([O-])C[C@H]([NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C1=CC=CC(Cl)=C1	REAL300012064221	0	36	0.0	-53.12	339.00	10.79	-42.33
O=C([O-])C[C@H]([NH2+]CC1=NN(C(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012064222	1	36	0.0	-34.83	325.36	7.94	-26.89
COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064223	0	47	0.0	-35.07	389.16	10.23	-24.84
O=C([O-])C[C@H]([NH2+]CC1=C(F)C=CC=C1OC(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012064224	1	40	0.0	-31.21	359.78	9.96	-21.25
O=C([O-])C[C@H]([NH2+]CC1=CC=NN1C1=CC=C(F)C=C1)C1=CC=CC(Cl)=C1	REAL300012064225	0	43	0.0	-35.01	364.61	10.75	-24.26
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CN(C)N=C2)=C1	REAL300012064226	0	49	0.0	-32.83	389.71	11.35	-21.48
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CC=NN2C)=C1	REAL300012064227	0	49	0.0	-36.97	405.80	11.64	-25.33
CC(C)C1=CN=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064228	1	41	0.0	-33.11	358.02	9.39	-23.72
CC(C)(C)C1=CN=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064229	1	44	0.0	-33.70	376.07	9.86	-23.84
O=C([O-])C[C@H]([NH2+]CC1=C(C2CC2)N=CS1)C1=CC=CC(Cl)=C1	REAL300012064230	0	39	0.0	-33.61	345.22	9.50	-24.11
O=C([O-])C[C@H]([NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1)C1=CC=CC(Cl)=C1	REAL300012064231	0	42	0.0	-33.48	367.17	13.47	-20.01
COC(=O)C1=C(C)N(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064232	0	46	0.0	-56.85	384.11	10.30	-46.55
COCCCN1N=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064233	0	46	0.0	-47.70	378.87	8.12	-39.58
CC1=CC(F)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Cl)=C1	REAL300012064234	1	39	0.0	-29.95	350.54	11.17	-18.78
COCCOCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064235	0	50	0.0	-35.40	420.43	10.05	-25.35
CSCC1=CN=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064236	1	39	0.0	-35.26	361.15	9.23	-26.03
O=C([O-])C[C@H]([NH2+]CC1=CSC=C1C(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012064237	0	36	0.0	-34.29	327.11	9.99	-24.30
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)SC2=C(Cl)C=CC=C12	REAL300012064238	0	42	0.0	-33.11	380.54	12.61	-20.50
CCN1N=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012064239	1	41	0.0	-35.78	349.04	7.69	-28.09
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(C2CC2)=C1)C1=CC=CC(Cl)=C1	REAL300012064240	0	43	0.0	-34.26	359.11	12.18	-22.08
CC1=NN(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064241	0	39	0.0	-38.58	329.17	8.15	-30.43
N#CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012064242	0	37	0.0	-42.03	336.46	10.50	-31.53
O=C([O-])C[C@H]([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=CC(Cl)=C1	REAL300012064243	0	39	0.0	-38.81	349.44	9.18	-29.63
CC1=CC(F)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(F)=C1	REAL300012064244	1	39	0.0	-40.90	338.54	10.53	-30.37
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012064245	0	46	0.0	-44.84	390.27	10.24	-34.60
CC(C)CN1N=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064246	0	45	0.0	-45.87	363.59	9.86	-36.01
COC(=O)C1=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CN1	REAL300012064247	0	43	0.0	-41.19	367.36	9.08	-32.11
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064248	0	46	0.0	-42.10	392.73	12.04	-30.06
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064249	0	49	0.0	-37.61	409.78	12.56	-25.05
CC(C)(C#N)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064250	0	46	0.0	-37.85	386.51	12.04	-25.81
CC(C)C1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064251	0	45	0.0	-30.45	363.91	11.87	-18.58
O=C([O-])C[C@H]([NH2+]CC1=NN2CCCCC2=C1)C1=CC=CC(Cl)=C1	REAL300012064252	1	43	0.0	-32.41	354.43	9.41	-23.00
O=C([O-])C[C@H]([NH2+]CC1=CN=NN1C1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300012064253	0	42	0.0	-40.14	359.16	9.69	-30.45
O=C([O-])C[C@H]([NH2+]CC1=CC2=CN=CC=C2O1)C1=CC=CC(Cl)=C1	REAL300012064254	0	38	0.0	-36.82	332.31	8.86	-27.96
COC1=CC(OC)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012064255	0	44	0.0	-34.68	373.78	8.82	-25.86
COC1=CC(F)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC	REAL300012064256	0	44	0.0	-34.09	372.80	9.34	-24.75
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Cl)=C1	REAL300012064257	0	39	0.0	-45.42	340.19	10.91	-34.51
CCC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064258	0	42	0.0	-32.42	352.58	11.50	-20.92
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064259	0	49	0.0	-37.85	409.79	12.55	-25.30
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(F)=C1	REAL300012064260	0	40	0.0	-49.78	341.12	9.12	-40.66
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=C1CCC2)C1=CC=CC(Cl)=C1	REAL300012064261	0	43	0.0	-31.62	353.81	11.89	-19.73
COC1=CC=CC(F)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064262	1	40	0.0	-29.71	343.28	9.46	-20.25
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300012064263	0	49	0.0	-33.29	396.37	11.69	-21.60
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=CC(Cl)=C1	REAL300012064264	0	38	0.0	-49.31	338.19	9.55	-39.76
O=C([O-])C[C@H]([NH2+]CC1=C2CCCN2N=C1)C1=CC=CC(Cl)=C1	REAL300012064265	0	40	0.0	-34.16	336.42	8.69	-25.47
CCC1=C2OC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC2=CC=C1	REAL300012064266	0	45	0.0	-34.06	380.67	12.03	-22.03
C=CCCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N=N1	REAL300012064267	1	42	0.0	-35.76	362.26	8.73	-27.03
O=C([O-])C[C@H]([NH2+]CC1=CC=NN1CC1CC1)C1=CC=CC(Cl)=C1	REAL300012064268	0	43	0.0	-48.88	355.77	9.83	-39.05
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(OC2CC2)=C1F)C1=CC=CC(Cl)=C1	REAL300012064269	0	44	0.0	-39.50	375.20	11.10	-28.40
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300012064270	0	46	0.0	-33.02	376.02	10.93	-22.09
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(F)=C1OC(F)F)C1=CC=CC(Cl)=C1	REAL300012064271	0	40	0.0	-37.38	353.79	9.80	-27.58
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=CC=C1OC(F)F)C1=CC=CC(Cl)=C1	REAL300012064272	0	40	0.0	-34.20	353.87	9.77	-24.43
COC1=NC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064273	0	39	0.0	-34.91	335.74	6.84	-28.07
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(C2CCCC2)=C1)C1=CC=CC(Cl)=C1	REAL300012064274	0	49	0.0	-44.35	390.66	13.00	-31.35
CN1C=C(C2=NN(C)C=C2C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012064275	0	46	0.0	-39.99	386.23	9.14	-30.85
COCC1=CSC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064276	0	40	0.0	-32.65	355.23	8.90	-23.75
O=C([O-])C[C@H]([NH2+]CC1=CN(C2CCC2)N=N1)C1=CC=CC(Cl)=C1	REAL300012064277	1	42	0.0	-34.70	352.08	8.56	-26.14
O=C([O-])C[C@H]([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=CC(Cl)=C1	REAL300012064278	0	36	0.0	-50.11	337.05	9.94	-40.17
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C(F)(F)F)O1)C1=CC=CC(Cl)=C1	REAL300012064279	0	36	0.0	-34.97	331.75	9.45	-25.52
O=C([O-])C[C@H]([NH2+]CC1=C(C(F)(F)F)SC=C1)C1=CC=CC(Cl)=C1	REAL300012064280	0	36	0.0	-46.91	327.94	9.92	-36.99
CN(C)C1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=CC(F)=C1F	REAL300012064281	0	44	0.0	-40.01	370.50	10.11	-29.90
O=C([O-])C[C@H]([NH2+]CC1=C(F)C=CC(F)=C1Cl)C1=CC=CC(Cl)=C1	REAL300012064282	1	36	0.0	-32.18	334.91	10.54	-21.64
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OC2CCOC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012064283	0	48	0.0	-35.85	395.18	9.71	-26.14
CN(C)C1=CC(F)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012064284	0	44	0.0	-34.22	374.96	9.67	-24.55
COC(=O)C1=C2CCCCN2C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064285	0	50	0.0	-39.23	408.62	11.72	-27.51
O=C([O-])C[C@H]([NH2+]CC1=CC=C(F)C(F)=C1F)C1=CC=CC(Cl)=C1	REAL300012064286	0	36	0.0	-56.97	323.12	9.97	-47.00
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(C(F)(F)F)=C1	REAL300012064287	0	43	0.0	-54.36	374.62	10.10	-44.26
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC1CC1	REAL300012064288	0	48	0.0	-40.18	399.89	10.96	-29.22
CCCN1N=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064289	0	42	0.0	-46.17	345.20	9.05	-37.12
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064290	0	39	0.0	-42.62	348.61	8.55	-34.07
COCC(C)OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064291	0	50	0.0	-35.60	411.71	10.34	-25.26
CCCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064292	0	42	0.0	-32.54	364.83	11.52	-21.02
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1=CC=CC(Cl)=C1	REAL300012064293	0	43	0.0	-34.83	377.26	12.70	-22.13
O=C([O-])C[C@H]([NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300012064294	0	49	0.0	-47.78	405.11	12.08	-35.70
CC(C)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064295	0	45	0.0	-44.36	366.65	11.72	-32.64
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Cl)=N1	REAL300012064296	1	36	0.0	-34.48	328.41	8.28	-26.20
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C(C)(C)C	REAL300012064297	0	52	0.0	-33.88	410.37	12.05	-21.83
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(CC2CCC2)=C1)C1=CC=CC(Cl)=C1	REAL300012064298	0	49	0.0	-44.46	397.49	13.31	-31.15
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=NC=C1Br	REAL300012064299	0	38	0.0	-32.17	344.65	9.44	-22.73
O=C([O-])C[C@H]([NH2+]CC1=C(O)C=CC=C1Br)C1=CC=CC(Cl)=C1	REAL300012064300	0	37	0.0	-31.32	336.32	7.72	-23.60
CN1C=C(C2=NC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CS2)C=N1	REAL300012064301	1	42	0.0	-35.12	379.40	8.69	-26.43
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1Cl	REAL300012064302	0	40	0.0	-37.02	355.23	9.91	-27.11
O=C([O-])C[C@H]([NH2+]CC1=CC=NN1CC1CCC1)C1=CC=CC(Cl)=C1	REAL300012064303	0	46	0.0	-42.51	366.79	10.39	-32.12
O=C([O-])C[C@H]([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C1=CC=CC(Cl)=C1	REAL300012064304	1	42	0.0	-37.35	369.05	9.96	-27.39
O=C([O-])C[C@H]([NH2+]CC1=CC=CC=C1CC(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012064305	0	42	0.0	-31.39	357.84	11.61	-19.78
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Br)=N1	REAL300012064306	1	36	0.0	-34.17	333.34	8.36	-25.81
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(F)=C1	REAL300012064307	0	39	0.0	-47.35	333.04	10.51	-36.84
CC(=O)NC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064308	0	43	0.0	-53.73	362.62	8.70	-45.03
CN1N=CC2=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CN=C21	REAL300012064309	0	41	0.0	-41.45	354.20	9.22	-32.23
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COC1=CC(Cl)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC	REAL300012064311	0	44	0.0	-33.29	377.96	9.66	-23.63
O=C([O-])C[C@H]([NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012064312	0	42	0.0	-34.79	370.72	11.85	-22.94
CN1N=C2CCCCC2=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064313	0	46	0.0	-35.29	374.02	10.07	-25.22
CCOC(=O)C1=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C(C)N1	REAL300012064314	0	49	0.0	-34.74	409.77	10.45	-24.29
CC1=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CS1	REAL300012064315	0	39	0.0	-33.31	335.03	10.35	-22.96
O=C([O-])C[C@H]([NH2+]CC1=CN=C(Cl)C(F)=C1)C1=CC=CC(Cl)=C1	REAL300012064316	0	35	0.0	-39.84	327.48	8.77	-31.07
O=C([O-])C[C@H]([NH2+]CC1=C(Br)SC=C1)C1=CC=CC(Cl)=C1	REAL300012064317	1	33	0.0	-29.72	316.28	9.65	-20.07
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C(F)C=C1OC	REAL300012064318	0	47	0.0	-34.22	395.02	10.22	-24.00
COC1=NC=C(Br)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064319	0	39	0.0	-34.00	356.71	7.45	-26.55
O=C([O-])C[C@H]([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC=CC(Cl)=C1	REAL300012064320	0	42	0.0	-35.67	356.27	12.22	-23.45
O=C([O-])C[C@H]([NH2+]CC1=CC=CN=C1Br)C1=CC=CC(Cl)=C1	REAL300012064321	1	35	0.0	-32.97	316.54	8.66	-24.31
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(F)=C1OC(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012064322	0	40	0.0	-39.62	360.66	10.00	-29.62
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064323	0	46	0.0	-32.65	383.89	11.05	-21.60
CCOC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064324	0	43	0.0	-52.81	363.83	10.09	-42.72
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012064325	0	50	0.0	-44.06	405.49	11.11	-32.95
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OC(F)F)C=C1F)C1=CC=CC(Cl)=C1	REAL300012064326	0	40	0.0	-50.80	350.88	9.41	-41.39
CC(C)(C)OC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064327	0	49	0.0	-45.46	386.83	10.95	-34.51
CC1=C(Cl)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064328	0	39	0.0	-36.47	339.42	11.07	-25.40
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C(F)C=C1C	REAL300012064329	0	43	0.0	-31.40	363.66	10.17	-21.23
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1Br	REAL300012064330	0	42	0.0	-36.16	360.96	11.79	-24.37
CC1=CC=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Br	REAL300012064331	1	38	0.0	-29.85	341.37	9.32	-20.53
CC(C)(C)C1=CSC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012064332	1	44	0.0	-34.37	375.31	9.79	-24.58
COCCC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064333	0	42	0.0	-37.19	371.75	7.88	-29.31
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=CC(F)=C1O)C1=CC=CC(Cl)=C1	REAL300012064334	1	37	0.0	-38.33	331.98	7.42	-30.91
CN1N=C2CCSCC2=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064335	0	44	0.0	-36.07	370.85	9.63	-26.44
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CC=CC=C2)=N1	REAL300012064336	0	49	0.0	-39.45	404.76	12.19	-27.26
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=CC(Cl)=C1	REAL300012064337	0	44	0.0	-33.47	356.77	10.04	-23.43
COCC1=C(C)C=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1C	REAL300012064338	0	52	0.0	-35.04	406.68	11.15	-23.89
O=C([O-])C[C@H]([NH2+]CC1=CC=C2OC(=O)OC2=C1)C1=CC=CC(Cl)=C1	REAL300012064339	0	38	0.0	-44.36	337.65	10.63	-33.73
CC1=C(Br)C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064340	0	36	0.0	-44.80	337.61	10.25	-34.55
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=CC(Cl)=C1	REAL300012064341	0	41	0.0	-36.86	345.85	10.32	-26.54
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C	REAL300012064342	0	49	0.0	-33.98	402.63	11.83	-22.15
O=C([O-])C[C@H]([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=CC(Cl)=C1	REAL300012064343	0	40	0.0	-40.64	345.74	8.48	-32.16
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1CN1C=CC=N1	REAL300012064344	0	50	0.0	-50.27	418.65	10.78	-39.49
CCOC1=CC=CC(F)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064345	1	43	0.0	-29.57	365.24	10.41	-19.16
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=CC=C1[N+](=O)[O-]	REAL300012064346	0	41	0.0	-58.44	343.68	10.93	-47.51
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064347	0	44	0.0	-36.34	364.52	11.63	-24.71
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(F)=C1OC	REAL300012064348	0	44	0.0	-43.80	377.95	9.43	-34.37
COC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(F)=C1	REAL300012064349	0	42	0.0	-55.45	366.41	10.49	-44.96
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)C1=CC=CC(Cl)=C1	REAL300012064350	0	46	0.0	-38.21	395.94	10.49	-27.72
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1)C1=CC=CC(Cl)=C1	REAL300012064351	0	50	0.0	-35.60	420.97	13.33	-22.27
O=C([O-])C[C@H]([NH2+]CC1=CC=CC=C1OCC(F)F)C1=CC=CC(Cl)=C1	REAL300012064352	0	43	0.0	-36.68	372.87	10.70	-25.98
O=C([O-])C[C@H]([NH2+]CC1=CC=C(Cl)C=N1)C1=CC=CC(Cl)=C1	REAL300012064353	0	35	0.0	-32.61	321.42	8.73	-23.88
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064354	0	52	0.0	-35.23	424.93	13.13	-22.10
CC1=CC(C#N)=CC(C)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064355	0	43	0.0	-36.01	361.50	11.44	-24.57
O=C([O-])C[C@H]([NH2+]CC1=CN(CCF)N=C1)C1=CC=CC(Cl)=C1	REAL300012064356	0	39	0.0	-38.27	340.77	8.88	-29.39
CCCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064358	0	45	0.0	-32.36	374.12	12.29	-20.07
CC1=C2C=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=NC2=NN1	REAL300012064359	0	41	0.0	-64.08	349.12	8.32	-55.76
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064360	0	44	0.0	-53.78	383.45	6.43	-47.35
CN1N=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C2=CC=CC=C21	REAL300012064361	0	42	0.0	-33.64	359.78	10.00	-23.64
O=C([O-])C[C@H]([NH2+]CC1=C2C=CC=CC2=NN1)C1=CC=CC(Cl)=C1	REAL300012064362	0	39	0.0	-38.10	336.78	8.70	-29.40
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064363	1	36	0.0	-34.43	342.44	9.34	-25.09
CCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064364	0	39	0.0	-32.68	343.33	10.74	-21.94
O=C([O-])C[C@H]([NH2+]CC1=NC=CC2=CC=CC=C21)C1=CC=CC(Cl)=C1	REAL300012064365	0	41	0.0	-32.04	347.63	10.37	-21.67
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N2C=CC=CC2=N1	REAL300012064366	0	42	0.0	-37.76	354.38	10.97	-26.79
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064367	0	56	0.0	-32.13	431.05	12.36	-19.77
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CN[C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064367	1	56	0.0	-60.66	428.29	12.92	-47.74
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CN[C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064367	1	56	0.0	-60.70	428.88	12.88	-47.82
CCC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064368	0	38	0.0	-50.87	334.25	8.51	-42.36
COC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)SC=C1	REAL300012064369	0	37	0.0	-45.32	326.19	8.23	-37.09
O=C([O-])C[C@H]([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CC=CC(Cl)=C1	REAL300012064370	0	42	0.0	-38.11	366.08	8.32	-29.79
O=C([O-])C[C@H]([NH2+]CC1=CSC=C1Cl)C1=CC=CC(Cl)=C1	REAL300012064371	0	33	0.0	-33.09	314.51	9.49	-23.60
CC1=NN2C(=NC(C)=C2C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064372	0	41	0.0	-38.05	364.05	9.25	-28.80
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064373	0	47	0.0	-38.87	404.42	10.50	-28.37
CCCC(C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1)C1=CC=CC=C1	REAL300012064374	0	48	0.0	-34.46	386.54	12.69	-21.77
O=C([O-])C[C@H]([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1=CC=CC(Cl)=C1	REAL300012064375	0	41	0.0	-29.62	363.45	11.00	-18.62
O=C([O-])C[C@H]([NH2+]CC1CC2CCC1C2)C1=CC=CC(Cl)=C1	REAL300012064376	0	43	0.0	-33.02	331.96	10.61	-22.41
O=C([O-])C[C@H]([NH2+]CC1=CC=C(F)N=C1)C1=CC=CC(Cl)=C1	REAL300012064377	0	35	0.0	-53.26	307.32	7.95	-45.31
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CC=CC(Cl)=C1	REAL300012064378	0	36	0.0	-34.51	340.76	10.39	-24.12
O=C([O-])C[C@H]([NH2+]CC1(C(F)F)CC1)C1=CC=CC(Cl)=C1	REAL300012064379	0	36	0.0	-42.04	308.65	9.22	-32.82
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064380	0	46	0.0	-49.05	387.77	12.44	-36.61
CC1=CN=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N1C	REAL300012064381	1	39	0.0	-32.24	330.19	8.93	-23.31
CC(C)C1CCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300012064382	0	51	0.0	-31.30	386.66	12.13	-19.17
O=C([O-])C[C@H]([NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21)C1=CC=CC(Cl)=C1	REAL300012064383	0	39	0.0	-34.78	369.81	11.43	-23.35
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064384	0	47	0.0	-35.75	396.46	11.51	-24.24
COCC1=CC=CC=C1C=C(C)C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064385	0	50	0.0	-35.06	409.00	11.73	-23.33
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064386	0	46	0.0	-37.11	384.63	10.98	-26.13
O=C([O-])C[C@H]([NH2+]CC1=CON=C1CC1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300012064387	0	45	0.0	-56.40	380.14	11.46	-44.94
CCC1=NOC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064388	0	38	0.0	-54.70	323.42	8.57	-46.13
CN1N=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Cl	REAL300012064389	1	36	0.0	-36.04	328.53	8.22	-27.82
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=CN=C2O1)C1=CC=CC(Cl)=C1	REAL300012064390	0	38	0.0	-37.60	332.54	7.56	-30.04
COC1=CC=C(N2C=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=N2)C=C1	REAL300012064391	0	47	0.0	-39.71	398.21	10.59	-29.12
CC1=CN=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064392	0	38	0.0	-34.00	319.99	8.92	-25.08
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C1=CC=CC(Cl)=C1	REAL300012064393	0	38	0.0	-36.83	349.31	8.06	-28.77
O=C([O-])C[C@H]([NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300012064394	0	43	0.0	-34.19	359.07	12.20	-21.99
O=C([O-])C[C@H]([NH2+]CC1=CC=NC=C1Br)C1=CC=CC(Cl)=C1	REAL300012064395	1	35	0.0	-32.23	317.27	8.77	-23.46
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064396	0	39	0.0	-42.50	362.97	6.77	-35.73
O=C([O-])C[C@H]([NH2+]CC1=CC=NN1C1=CC=CC=N1)C1=CC=CC(Cl)=C1	REAL300012064397	0	42	0.0	-43.37	358.23	10.49	-32.88
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(F)=C1	REAL300012064398	0	41	0.0	-58.40	365.81	4.80	-53.60
CC(C)N1C=CN=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064400	1	42	0.0	-31.07	350.75	9.90	-21.17
CC1=C(Br)C=NC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064401	0	38	0.0	-34.70	337.49	9.40	-25.30
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064402	0	39	0.0	-33.11	344.82	8.56	-24.55
CN1N=CC(C2CC2)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064403	0	43	0.0	-34.39	360.42	9.70	-24.69
CN1N=CC(C2CCC2)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064404	0	46	0.0	-33.71	375.09	10.15	-23.56
CC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N1C	REAL300012064405	0	39	0.0	-40.66	329.58	9.02	-31.64
CC1=C2C=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)NC2=CC=C1	REAL300012064406	0	43	0.0	-35.64	362.67	10.67	-24.97
O=C([O-])C[C@H]([NH2+]CC1=CC=NN1C1=CC=NC=C1)C1=CC=CC(Cl)=C1	REAL300012064407	0	42	0.0	-35.58	359.61	9.15	-26.43
CC1=CC=C2C=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)NC2=C1	REAL300012064408	0	43	0.0	-53.14	359.76	10.42	-42.72
CC1=NC=CN=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064409	0	37	0.0	-35.61	316.68	6.87	-28.74
CCOC1=CN=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064410	0	42	0.0	-38.02	356.18	8.49	-29.53
O=C([O-])C[C@H]([NH2+]CC1=CC=NC=C1Cl)C1=CC=CC(Cl)=C1	REAL300012064411	0	35	0.0	-32.65	315.40	8.71	-23.94
O=C([O-])C[C@H]([NH2+]CC1=CC=NN1C1CCOCC1)C1=CC=CC(Cl)=C1	REAL300012064412	0	47	0.0	-37.22	385.48	8.71	-28.51
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=NNC=C21)C1=CC=CC(Cl)=C1	REAL300012064413	0	39	0.0	-37.67	335.89	8.78	-28.89
CCC(F)(F)C(C)(C)C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064414	0	44	0.0	-46.51	346.04	10.20	-36.31
O=C([O-])C[C@H]([NH2+]CC1=CC=NC(F)=C1)C1=CC=CC(Cl)=C1	REAL300012064415	0	35	0.0	-40.88	311.01	8.24	-32.64
O=C([O-])C[C@H]([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=CC(Cl)=C1	REAL300012064416	0	40	0.0	-52.41	337.87	9.84	-42.57
O=C([O-])C[C@H]([NH2+]CC1=CC2=C(C=CNC2=O)O1)C1=CC=CC(Cl)=C1	REAL300012064417	0	39	0.0	-44.70	342.31	7.55	-37.15
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=CC(Cl)=C1	REAL300012064418	0	38	0.0	-52.19	334.08	8.91	-43.28
CN(C)C1=CC=C(C#N)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064419	0	45	0.0	-33.97	381.26	10.50	-23.47
O=C([O-])C[C@H]([NH2+]CC1=CN(CC2CCOC2)N=N1)C1=CC=CC(Cl)=C1	REAL300012064420	1	46	0.0	-38.37	383.86	7.46	-30.91
COC1=CN=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1C	REAL300012064421	0	42	0.0	-36.61	349.23	8.19	-28.42
CC1=CC(C)=C(C=CC[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300012064422	0	49	0.0	-52.88	396.08	12.94	-39.94
O=C([O-])C[C@H]([NH2+]CC1=CN(CC2CCCO2)N=N1)C1=CC=CC(Cl)=C1	REAL300012064423	1	46	0.0	-36.57	384.89	7.67	-28.90
CCCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N=N1	REAL300012064424	1	41	0.0	-35.74	349.61	8.20	-27.54
CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064425	0	44	0.0	-30.22	367.05	10.15	-20.07
O=C([O-])C[C@H]([NH2+]CC1=CN(C2CC2)C=N1)C1=CC=CC(Cl)=C1	REAL300012064426	1	40	0.0	-31.85	341.07	10.72	-21.13
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=CC(Cl)=C1	REAL300012064427	0	41	0.0	-43.28	357.31	10.52	-32.76
CC1=CC(C)=C(C=CC[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C	REAL300012064428	0	49	0.0	-34.54	396.81	13.11	-21.43
CC1=NSC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064429	0	35	0.0	-34.92	316.26	8.48	-26.44
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064430	0	41	0.0	-43.65	363.91	5.03	-38.62
CCN1N=CN=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064431	1	38	0.0	-38.20	321.75	9.21	-28.99
O=C([O-])C[C@H]([NH2+]CC1=CN=C(C2CC2)O1)C1=CC=CC(Cl)=C1	REAL300012064432	1	39	0.0	-35.39	338.55	7.39	-28.00
CCC1=CNC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012064433	1	39	0.0	-33.84	332.60	8.14	-25.70
O=C([O-])C[C@H]([NH2+]CC1=NC=CC2=C1CCCC2)C1=CC=CC(Cl)=C1	REAL300012064434	0	45	0.0	-46.26	358.41	10.33	-35.93
CC1=NN(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Cl	REAL300012064435	1	39	0.0	-33.43	348.95	8.74	-24.69
CN1C=CC(C2=NC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CS2)=N1	REAL300012064436	1	42	0.0	-36.71	379.51	8.56	-28.15
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2CCCC2)=N1	REAL300012064437	0	49	0.0	-52.51	394.33	10.71	-41.80
CC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Br	REAL300012064438	0	39	0.0	-34.90	344.37	11.20	-23.70
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1)C1=CC=CC(Cl)=C1	REAL300012064439	0	47	0.0	-49.93	402.41	12.74	-37.19
O=C([O-])C[C@H]([NH2+]CC1=CC=C2OCCCC2=C1)C1=CC=CC(Cl)=C1	REAL300012064440	0	44	0.0	-34.65	363.59	10.72	-23.93
CN(C)C(=O)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064441	0	46	0.0	-39.94	382.13	9.95	-29.99
CCC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Cl)=NN1	REAL300012064442	1	39	0.0	-35.27	340.83	8.18	-27.09
O=C([O-])C[C@H]([NH2+]CC1=C(C2CC2)NN=C1Cl)C1=CC=CC(Cl)=C1	REAL300012064443	1	40	0.0	-44.52	352.79	8.76	-35.76
CCC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=NO1	REAL300012064444	0	41	0.0	-38.79	344.49	9.65	-29.14
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N=N1	REAL300012064445	1	38	0.0	-36.33	327.95	7.41	-28.92
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C2CCCCC2=N1	REAL300012064446	0	48	0.0	-34.51	382.30	11.25	-23.26
O=C([O-])C[C@H]([NH2+]CC1=CC=CC=C1N1CCCCC1)C1=CC=CC(Cl)=C1	REAL300012064447	0	51	0.0	-29.20	400.90	12.01	-17.19
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012064448	0	40	0.0	-33.46	345.50	9.61	-23.85
CCN1C=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064450	1	39	0.0	-32.09	333.77	10.26	-21.83
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CN=C1F	REAL300012064451	0	38	0.0	-53.42	328.07	8.58	-44.84
CC1=CC(F)=NC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064452	0	38	0.0	-55.70	322.52	8.58	-47.12
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C(F)F)C(F)=C1)C1=CC=CC(Cl)=C1	REAL300012064453	0	39	0.0	-42.09	349.32	11.06	-31.03
COC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C	REAL300012064454	0	45	0.0	-38.13	380.35	11.27	-26.86
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300012064455	0	43	0.0	-33.72	353.02	9.97	-23.75
CC1=C(Cl)C=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Cl	REAL300012064456	0	39	0.0	-36.95	355.39	11.55	-25.40
N#CC1=CC=C(Br)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064457	0	37	0.0	-34.98	341.60	10.88	-24.10
CC1CC2=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC=C2O1	REAL300012064458	0	44	0.0	-35.32	366.90	10.69	-24.63
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=C1OC(=O)N2)C1=CC=CC(Cl)=C1	REAL300012064459	0	39	0.0	-56.10	338.18	7.30	-48.80
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=C1OCC2)C1=CC=CC(Cl)=C1	REAL300012064460	0	41	0.0	-47.12	341.81	9.63	-37.49
CSCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064461	0	43	0.0	-33.56	376.01	11.97	-21.59
O=C([O-])C[C@H]([NH2+]CC1=CN(CC2CCC2)N=C1)C1=CC=CC(Cl)=C1	REAL300012064462	0	46	0.0	-48.37	378.30	10.54	-37.83
CN1N=C2CCOCC2=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064463	0	44	0.0	-36.34	363.74	7.63	-28.71
CN1N=C2CCCC2=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064464	0	43	0.0	-37.95	356.62	9.56	-28.39
O=C([O-])C[C@H]([NH2+]CC1=CC=NN1C1CCC1)C1=CC=CC(Cl)=C1	REAL300012064465	0	43	0.0	-35.66	358.54	9.86	-25.80
O=C([O-])C[C@H]([NH2+]CC1=CN(C2CCC2)N=C1)C1=CC=CC(Cl)=C1	REAL300012064466	0	43	0.0	-34.51	358.00	9.86	-24.65
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064467	0	49	0.0	-37.75	412.17	11.63	-26.12
COC(=O)COC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064468	0	46	0.0	-38.92	394.15	11.03	-27.89
COC1=CC=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064469	0	43	0.0	-32.94	354.16	9.99	-22.95
CN1C=NC2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=C21	REAL300012064470	0	42	0.0	-35.14	345.21	11.18	-23.96
CCC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064471	0	42	0.0	-31.07	342.13	11.32	-19.75
CN(C)C(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064472	0	46	0.0	-45.31	382.88	9.88	-35.43
CC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064473	0	39	0.0	-52.24	333.88	10.53	-41.71
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1C	REAL300012064474	0	45	0.0	-32.92	359.40	11.81	-21.11
CCNC(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064475	0	46	0.0	-42.84	387.69	9.19	-33.65
CC(C)(C)C1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064476	0	48	0.0	-31.08	371.91	11.99	-19.09
O=C([O-])C[C@H]([NH2+]CC1=CN=C2CCCCCN12)C1=CC=CC(Cl)=C1	REAL300012064477	0	46	0.0	-37.12	365.81	10.49	-26.63
COC1=CC=C2SC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC2=C1	REAL300012064478	0	43	0.0	-34.87	376.76	10.91	-23.96
O=C([O-])C[C@H]([NH2+]CC1=CON=C1C1CC1)C1=CC=CC(Cl)=C1	REAL300012064479	0	39	0.0	-37.58	337.92	9.68	-27.90
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064480	0	52	0.0	-41.68	420.86	11.81	-29.87
CCN1CCC2=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC=C21	REAL300012064481	0	48	0.0	-45.66	378.51	9.93	-35.73
CCN(C)C(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064482	0	49	0.0	-43.67	402.55	10.96	-32.71
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=NN1C(C)C	REAL300012064483	0	45	0.0	-34.41	372.83	9.86	-24.55
CSC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1Cl	REAL300012064484	0	40	0.0	-35.49	364.93	11.53	-23.96
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1C1CC1	REAL300012064485	0	46	0.0	-32.66	376.12	12.69	-19.97
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=N1	REAL300012064486	0	42	0.0	-38.08	358.64	7.70	-30.38
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C1CC1	REAL300012064487	0	46	0.0	-31.77	376.33	12.71	-19.06
CC1=NN(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C(C)=C2)C=C1	REAL300012064488	0	49	0.0	-39.88	403.88	12.44	-27.44
COC(=O)C1=CC2=C(C=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)O2)N1	REAL300012064489	0	43	0.0	-38.40	378.48	8.88	-29.52
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012064490	0	37	0.0	-34.11	323.59	8.66	-25.45
COCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012064491	0	44	0.0	-35.40	379.13	8.84	-26.56
CC1=NN(C(C)C)C(C)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064492	0	48	0.0	-32.87	390.63	10.29	-22.58
O=C([O-])C[C@H]([NH2+]CC1=NN(CCF)C=C1)C1=CC=CC(Cl)=C1	REAL300012064493	1	39	0.0	-33.34	340.88	8.80	-24.54
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=N1	REAL300012064494	0	42	0.0	-39.07	353.87	9.33	-29.74
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300012064495	0	52	0.0	-33.05	422.36	14.71	-18.34
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2CC2)=N1	REAL300012064496	0	43	0.0	-35.87	364.71	10.06	-25.81
COC(=O)C1=C2COCCN2C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064497	0	48	0.0	-39.90	400.52	9.33	-30.57
CN1N=C(C2CC2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064498	0	43	0.0	-37.24	362.03	9.72	-27.52
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064499	0	46	0.0	-38.19	379.48	13.03	-25.16
CC(C)C1=NOC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064500	0	41	0.0	-36.60	348.11	9.37	-27.23
O=C([O-])C[C@H]([NH2+]CC1=CNN=C1C1=CC=C(Cl)O1)C1=CC=CC(Cl)=C1	REAL300012064501	0	40	0.0	-40.17	364.68	8.96	-31.21
O=C([O-])C[C@H]([NH2+]CC1=CN=C(C2CCOCC2)O1)C1=CC=CC(Cl)=C1	REAL300012064502	1	46	0.0	-36.94	382.01	6.53	-30.41
COC1=NC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1F	REAL300012064503	1	39	0.0	-53.12	338.73	6.55	-46.57
O=C([O-])C[C@H]([NH2+]CC1=CN2C=CN=C2S1)C1=CC=CC(Cl)=C1	REAL300012064504	0	36	0.0	-41.51	327.08	10.03	-31.48
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C(C(C)(C)C)O1	REAL300012064505	0	48	0.0	-31.39	392.48	11.61	-19.78
CC1=C(C)SC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012064506	1	38	0.0	-34.41	335.18	8.51	-25.90
O=C([O-])C[C@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=N1)C1=CC=CC(Cl)=C1	REAL300012064507	1	45	0.0	-37.25	388.05	10.43	-26.82
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300012064508	0	56	0.0	-42.01	433.79	11.10	-30.91
CC1=CC(Br)=CN=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064509	0	38	0.0	-34.92	343.09	9.37	-25.55
CC1OC2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2C1C	REAL300012064510	0	47	0.0	-47.84	379.46	10.90	-36.94
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC(F)F	REAL300012064511	0	43	0.0	-36.56	369.03	10.40	-26.16
CC(C)CC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064512	0	48	0.0	-32.77	382.24	12.62	-20.15
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)NN=C1C(F)(F)F	REAL300012064514	0	39	0.0	-40.33	345.42	7.95	-32.38
CC(C)CN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N=N1	REAL300012064515	1	44	0.0	-35.58	365.15	8.81	-26.77
O=C([O-])C[C@H]([NH2+]CC1=NC(C2CC2)=CS1)C1=CC=CC(Cl)=C1	REAL300012064516	1	39	0.0	-35.13	345.68	9.32	-25.81
O=C([O-])C[C@H]([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=CC(Cl)=C1	REAL300012064517	0	36	0.0	-40.59	330.76	7.41	-33.18
O=C([O-])C[C@H]([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=CC(Cl)=C1	REAL300012064518	0	41	0.0	-51.84	342.36	9.67	-42.17
CSC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064521	0	40	0.0	-46.10	346.65	10.81	-35.29
CC(C)C1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N(C)N=C1	REAL300012064522	0	45	0.0	-33.61	370.29	9.51	-24.10
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(C)=N1	REAL300012064523	0	41	0.0	-36.21	347.94	9.54	-26.67
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CC=CC(F)=C2)=N1	REAL300012064524	0	46	0.0	-38.90	385.34	11.26	-27.64
CCCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=N1	REAL300012064525	0	45	0.0	-52.50	371.97	9.82	-42.68
CCN1C=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012064526	1	39	0.0	-32.72	334.10	8.64	-24.08
O=C([O-])C[C@H]([NH2+]CC1=CC2=NC=CC=C2O1)C1=CC=CC(Cl)=C1	REAL300012064527	0	38	0.0	-38.06	332.52	8.81	-29.25
O=C([O-])C[C@H]([NH2+]CC1=CC=C(CC2CC2)S1)C1=CC=CC(Cl)=C1	REAL300012064529	0	43	0.0	-30.79	375.09	12.33	-18.46
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012064530	0	44	0.0	-34.46	369.96	11.07	-23.39
O=C([O-])C[C@H]([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C1=CC=CC(Cl)=C1	REAL300012064531	0	40	0.0	-50.81	357.62	9.62	-41.19
CC1=NC=CN1C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300012064532	0	49	0.0	-38.68	403.35	13.13	-25.55
CC1=C(C)N(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2)C=N1	REAL300012064533	0	49	0.0	-40.09	407.63	13.70	-26.39
CNC(=O)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064534	0	43	0.0	-52.06	362.91	8.07	-43.99
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CC=CC(Cl)=C1	REAL300012064535	0	50	0.0	-31.99	404.32	14.11	-17.88
CCNC(=O)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064537	0	46	0.0	-51.67	384.40	8.91	-42.76
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)OC2=CC=C(F)C=C12	REAL300012064538	0	42	0.0	-34.60	364.41	11.29	-23.31
O=C([O-])C[C@H]([NH2+]CC1=CC(C2CCC2)=NN1)C1=CC=CC(Cl)=C1	REAL300012064539	0	43	0.0	-36.63	356.81	8.98	-27.65
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064540	0	46	0.0	-55.93	386.14	10.91	-45.02
CCCN1C=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012064541	1	42	0.0	-32.11	355.79	9.43	-22.68
CC(C)N1C=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012064542	1	42	0.0	-31.90	352.99	9.19	-22.71
CC(C)(C)C1=CN=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064543	0	47	0.0	-38.17	381.29	10.58	-27.59
O=C([O-])C[C@H]([NH2+]CC1=NN(CC(F)(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012064544	1	39	0.0	-35.91	351.98	9.14	-26.77
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C1=CC=CC(Cl)=C1	REAL300012064545	0	46	0.0	-36.19	380.72	12.08	-24.11
CN1C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=NC2=C1CCCC2	REAL300012064546	1	46	0.0	-32.56	373.28	10.75	-21.81
COC1=NC(Cl)=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064547	0	39	0.0	-37.62	352.38	7.28	-30.34
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C(F)(F)F)=N1	REAL300012064548	0	39	0.0	-40.30	345.07	8.82	-31.48
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=CC(Cl)=C1	REAL300012064549	0	39	0.0	-40.74	348.49	11.02	-29.72
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=CC(Cl)=C1	REAL300012064550	0	44	0.0	-50.45	352.85	9.79	-40.66
CCOC1=CC=C(Cl)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064551	0	43	0.0	-31.82	376.30	10.87	-20.95
COC1=NN(C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064552	1	40	0.0	-41.89	345.60	5.82	-36.07
O=C([O-])C[C@H]([NH2+]CC1=NC2=C(COCC2)S1)C1=CC=CC(Cl)=C1	REAL300012064553	1	40	0.0	-37.91	349.31	7.42	-30.49
O=C([O-])C[C@H]([NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)C1=CC=CC(Cl)=C1	REAL300012064554	0	43	0.0	-50.90	361.23	9.72	-41.18
O=C([O-])C[C@H]([NH2+]CC1=CC2=C(CCCC2)O1)C1=CC=CC(Cl)=C1	REAL300012064555	0	43	0.0	-32.53	353.98	10.89	-21.64
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1)C1=CC=CC(Cl)=C1	REAL300012064556	0	38	0.0	-62.90	341.13	10.56	-52.34
O=C([O-])C[C@H]([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC=CC(Cl)=C1	REAL300012064557	0	49	0.0	-33.73	394.54	11.14	-22.59
O=C([O-])C[C@H]([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1)C1=CC=CC(Cl)=C1	REAL300012064558	1	43	0.0	-37.90	383.72	11.56	-26.34
CN(CCO)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012064559	0	47	0.0	-48.39	385.64	7.36	-41.03
COC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=CC=C1C(C)(C)C	REAL300012064560	0	52	0.0	-35.20	402.94	11.86	-23.34
CN1C=C(Br)N=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064561	1	36	0.0	-40.74	331.17	8.94	-31.80
COC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012064562	0	42	0.0	-52.88	348.28	7.12	-45.76
COC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1O	REAL300012064563	0	44	0.0	-36.11	365.56	7.75	-28.36
O=C([O-])C[C@H]([NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C1=CC=CC(Cl)=C1	REAL300012064564	0	42	0.0	-34.02	366.66	9.22	-24.80
CN1C(=O)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC2=CC=CC=C21	REAL300012064565	0	45	0.0	-48.12	372.91	10.57	-37.55
COC1=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1C	REAL300012064566	0	42	0.0	-32.34	357.19	7.48	-24.86
CCCN1C=NC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064567	0	42	0.0	-35.76	345.22	10.83	-24.93
O=C([O-])C[C@H]([NH2+]CC1=CC=CNC1=O)C1=CC=CC(Cl)=C1	REAL300012064568	0	36	0.0	-34.22	313.42	7.00	-27.22
O=C([O-])C[C@H]([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=CC(Cl)=C1	REAL300012064569	0	43	0.0	-39.57	367.00	10.04	-29.53
O=C([O-])C[C@H]([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012064570	0	49	0.0	-32.14	400.85	13.58	-18.56
CCC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=NN1CC	REAL300012064571	0	45	0.0	-49.68	365.66	9.71	-39.97
O=C([O-])C[C@H]([NH2+]CC1=C(F)C=CC(Cl)=C1F)C1=CC=CC(Cl)=C1	REAL300012064572	1	36	0.0	-33.10	336.50	10.61	-22.49
O=C([O-])C[C@H]([NH2+]CC1=CC(C2CC2)=NN1)C1=CC=CC(Cl)=C1	REAL300012064573	0	40	0.0	-38.20	341.51	8.55	-29.65
O=C([O-])C[C@H]([NH2+]CC1=CC=NN1C1CC1(F)F)C1=CC=CC(Cl)=C1	REAL300012064574	0	40	0.0	-38.77	351.15	9.53	-29.24
COC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=CS1	REAL300012064575	0	37	0.0	-31.91	331.35	8.50	-23.41
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C(F)(F)F)=CO1	REAL300012064576	0	39	0.0	-30.33	347.10	9.79	-20.54
CC(F)(F)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064577	0	42	0.0	-47.59	359.64	11.32	-36.27
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1=CC=CC(Cl)=C1	REAL300012064578	0	42	0.0	-50.33	368.99	10.57	-39.76
CN1C=C(C2=NNC=C2C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012064579	0	43	0.0	-44.04	363.81	7.85	-36.19
CCCN1N=C(C)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Cl	REAL300012064580	1	45	0.0	-33.05	391.26	10.35	-22.70
CC(C)(C#N)C1=NC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064581	0	42	0.0	-35.55	376.37	9.41	-26.14
O=C([O-])C[C@H]([NH2+]CC1=CC(F)=CC(F)=C1F)C1=CC=CC(Cl)=C1	REAL300012064582	1	36	0.0	-52.14	324.33	9.97	-42.17
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1=CC=CC(Cl)=C1	REAL300012064583	0	43	0.0	-33.95	375.46	12.51	-21.44
CC(C)(C)C1=NNC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064584	0	45	0.0	-38.70	371.90	8.92	-29.78
O=C([O-])C[C@H]([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C1=CC=CC(Cl)=C1	REAL300012064585	0	42	0.0	-35.40	367.41	12.69	-22.71
O=C([O-])C[C@H]([NH2+]CC1=CC=CC=C1OC1CCCCC1)C1=CC=CC(Cl)=C1	REAL300012064586	0	53	0.0	-31.52	419.16	12.90	-18.62
C=CCC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064587	0	43	0.0	-31.23	356.91	11.95	-19.28
CCN1CCCC2=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC=C21	REAL300012064588	0	51	0.0	-32.50	398.77	11.20	-21.30
COCC1=CN=C(OC)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064589	0	46	0.0	-33.31	389.23	6.64	-26.67
CN1N=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Br	REAL300012064590	1	36	0.0	-35.31	332.65	8.30	-27.01
O=C([O-])C[C@H]([NH2+]CC=CC1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300012064591	0	40	0.0	-34.34	340.94	11.39	-22.95
O=C([O-])C[C@H]([NH2+]CC1=CN=NN1C1CC1)C1=CC=CC(Cl)=C1	REAL300012064592	0	39	0.0	-39.43	336.39	8.11	-31.32
COCC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064593	0	43	0.0	-33.10	355.82	9.93	-23.17
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1=CC=CC(Cl)=C1	REAL300012064594	0	40	0.0	-49.14	362.83	11.25	-37.89
O=C([O-])C[C@H]([NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C1=CC=CC(Cl)=C1	REAL300012064595	0	49	0.0	-35.96	403.09	10.76	-25.20
O=C([O-])C[C@H]([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=CC(Cl)=C1	REAL300012064596	0	44	0.0	-34.17	363.53	10.15	-24.02
O=C([O-])C[C@H]([NH2+]CC1=CN(CCO)N=C1)C1=CC=CC(Cl)=C1	REAL300012064597	0	40	0.0	-38.43	345.60	5.38	-33.05
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)SC2=CC(F)=CC=C12	REAL300012064598	0	42	0.0	-51.54	366.50	11.93	-39.61
O=C([O-])C[C@H]([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=CC=CC(Cl)=C1	REAL300012064599	0	42	0.0	-43.44	364.51	8.25	-35.19
COC1=CC=C(F)C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1OC	REAL300012064600	1	44	0.0	-31.54	374.23	9.38	-22.16
O=C([O-])C[C@H]([NH2+]CC=CC1=CC=NC=C1)C1=CC=CC(Cl)=C1	REAL300012064601	0	39	0.0	-37.87	335.95	9.61	-28.26
CN1C=CC(C2=NNC=C2C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012064602	0	43	0.0	-39.30	367.14	8.10	-31.20
C=CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064603	0	40	0.0	-33.25	340.86	11.15	-22.10
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(OCC2CCC2)=C1)C1=CC=CC(Cl)=C1	REAL300012064604	0	50	0.0	-34.21	409.48	12.44	-21.77
CC(F)(F)C1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064605	0	42	0.0	-32.81	347.83	11.43	-21.38
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OCCO	REAL300012064606	0	48	0.0	-40.06	401.68	7.10	-32.96
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2CC2)=N1	REAL300012064607	0	46	0.0	-35.72	386.24	10.93	-24.79
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OCCO	REAL300012064608	0	48	0.0	-40.01	401.67	7.10	-32.91
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CC=NN2C)=N1	REAL300012064609	0	46	0.0	-46.02	395.71	8.97	-37.05
CC(C)(C)C1=NOC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064610	0	44	0.0	-35.04	351.25	9.79	-25.25
O=C([O-])C[C@H]([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=CC(Cl)=C1	REAL300012064611	0	41	0.0	-51.47	347.43	10.28	-41.19
CC1=CC2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=C2O1	REAL300012064612	0	42	0.0	-48.14	355.30	10.94	-37.20
O=C([O-])C[C@H]([NH2+]CC1=CC=CC(F)=C1C(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012064613	0	39	0.0	-44.24	339.28	11.00	-33.24
COC1=CSC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1OC	REAL300012064614	0	41	0.0	-34.54	358.66	8.22	-26.32
O=C([O-])C[C@H]([NH2+]CC1=CON=C1C1CCC1)C1=CC=CC(Cl)=C1	REAL300012064615	0	42	0.0	-39.46	354.59	10.17	-29.29
CS(=O)(=O)C1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)SC=C1	REAL300012064616	1	39	0.0	-37.84	347.21	6.59	-31.25
CS(=O)(=O)C1=COC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064617	1	39	0.0	-44.36	353.65	5.67	-38.69
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C1=CC=CC(Cl)=C1	REAL300012064618	0	39	0.0	-52.56	350.36	10.84	-41.72
CC(C)OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012064619	0	46	0.0	-36.46	385.60	11.07	-25.39
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CC1=NN(C2CCCC2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064648	0	49	0.0	-35.15	395.25	11.11	-24.04
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CC1=C(F)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064653	0	39	0.0	-37.62	330.68	10.66	-26.96
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COC1=C(C#N)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064657	0	41	0.0	-43.02	353.84	9.93	-33.09
COC1=NC2=CC=C(C[NH2+][C@@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2S1	REAL300012064658	0	42	0.0	-37.64	374.30	7.90	-29.74
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CC1=NC(Cl)=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064661	0	38	0.0	-54.60	332.80	9.03	-45.57
CC(C)(C)COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064662	0	52	0.0	-45.28	418.22	12.13	-33.15
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COC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(F)=C1F	REAL300012064664	0	40	0.0	-61.05	348.08	9.22	-51.83
COC1=CC(C)=NC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064665	0	42	0.0	-48.59	351.35	8.01	-40.58
CC(C)N1C=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064666	1	42	0.0	-31.24	353.39	10.65	-20.59
CN1N=CC=C1C1=NNC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064667	0	43	0.0	-43.44	372.76	7.67	-35.77
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2CC2)=NO1	REAL300012064668	0	42	0.0	-48.39	355.69	10.20	-38.19
COC(=O)C1=C(C)NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1C	REAL300012064669	0	46	0.0	-40.66	392.66	9.81	-30.85
CC(C)OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012064670	0	43	0.0	-33.34	365.80	10.32	-23.02
CC1=CC(Br)=CC(C)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064671	0	42	0.0	-31.90	362.15	11.68	-20.22
O=C([O-])C[C@H]([NH2+]CC1=C(Cl)C=CC2=C1OCO2)C1=CC=CC(Cl)=C1	REAL300012064672	1	39	0.0	-31.93	349.85	9.14	-22.79
N#CC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064673	0	37	0.0	-60.95	333.33	10.25	-50.70
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012064674	0	52	0.0	-32.28	411.59	13.87	-18.41
COC1=CC=CC=C1C=CC[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064675	0	44	0.0	-35.27	369.31	10.74	-24.53
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)SC(Br)=C1	REAL300012064676	0	36	0.0	-31.54	340.24	10.48	-21.06
CC1=NN(C2CCC2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064677	0	46	0.0	-35.74	377.73	10.45	-25.29
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=NN1CC(F)F	REAL300012064678	0	42	0.0	-57.43	361.02	9.22	-48.21
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C1=CC=CC(Cl)=C1	REAL300012064679	0	44	0.0	-38.33	379.08	10.43	-27.90
CCCN1N=C(C)C(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064680	1	45	0.0	-32.14	392.09	10.33	-21.81
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064681	0	43	0.0	-56.87	369.37	9.05	-47.82
O=C([O-])C[C@H]([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C1=CC=CC(Cl)=C1	REAL300012064682	0	49	0.0	-33.37	412.69	14.55	-18.82
CCCCC(=O)NC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064683	0	52	0.0	-40.30	429.63	11.33	-28.97
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=N1	REAL300012064684	0	42	0.0	-38.17	351.95	7.37	-30.80
CCN(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300012064685	0	50	0.0	-31.31	396.82	12.01	-19.30
O=C([O-])C[C@H]([NH2+]CC1=C(Cl)C(Cl)=CS1)C1=CC=CC(Cl)=C1	REAL300012064686	0	33	0.0	-36.60	331.35	10.12	-26.48
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064687	0	57	0.0	-32.18	436.47	12.20	-19.98
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=NS1	REAL300012064688	0	35	0.0	-53.42	308.78	8.24	-45.18
COC1=CC(C)=CC(OC)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064689	0	47	0.0	-38.97	384.22	9.19	-29.78
O=C([O-])C[C@H]([NH2+]CC1=CC=C(CF)C=C1)C1=CC=CC(Cl)=C1	REAL300012064690	0	39	0.0	-34.10	337.87	10.91	-23.19
O=C([O-])C[C@H]([NH2+]CC1=CC=C2SC=CC2=C1)C1=CC=CC(Cl)=C1	REAL300012064691	0	39	0.0	-53.57	343.43	11.19	-42.38
O=C([O-])C[C@H]([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C1=CC=CC(Cl)=C1	REAL300012064692	0	45	0.0	-37.24	379.15	11.73	-25.51
O=C([O-])C[C@H]([NH2+]CC1=CC=CC=C1CO)C1=CC=CC(Cl)=C1	REAL300012064693	0	40	0.0	-33.75	333.45	7.53	-26.22
CC1=NSC(C)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064694	0	38	0.0	-47.61	328.51	8.65	-38.96
CC(C)(C)C1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=NO1	REAL300012064695	0	44	0.0	-31.02	350.92	10.13	-20.89
CC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1C(F)(F)F	REAL300012064696	0	42	0.0	-38.71	351.37	11.52	-27.19
C=CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012064697	0	40	0.0	-37.69	346.98	9.30	-28.39
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CCC(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064699	0	48	0.0	-31.82	388.56	12.68	-19.14
O=C([O-])C[C@H]([NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1)C1=CC=CC(Cl)=C1	REAL300012064700	0	41	0.0	-43.42	374.94	10.46	-32.96
O=C([O-])C[C@H]([NH2+]CC1=CC2=C(CCOC2)N=C1Cl)C1=CC=CC(Cl)=C1	REAL300012064701	0	43	0.0	-33.55	368.46	8.64	-24.91
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064702	1	49	0.0	-33.77	410.58	12.67	-21.10
CC(F)(F)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012064703	0	41	0.0	-53.73	355.17	9.75	-43.98
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CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064705	0	43	0.0	-35.18	370.51	12.03	-23.15
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CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=CC2=CC=CC=C12	REAL300012064708	0	45	0.0	-34.98	367.42	12.76	-22.22
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064709	0	54	0.0	-50.79	431.18	11.46	-39.33
COC1=C2C=CNC2=CC=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064710	0	44	0.0	-36.94	370.65	9.49	-27.45
CC1=NC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C(C)S1	REAL300012064711	1	38	0.0	-34.17	335.25	8.50	-25.67
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COC1=CC=C(OC)C(OC)=C1C[NH2+][C@@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064713	1	48	0.0	-30.37	394.55	8.80	-21.57
CCCN1N=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1C	REAL300012064714	0	45	0.0	-52.54	369.37	9.70	-42.84
CC1=C(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C2=NC=CC=C2C=C1	REAL300012064715	0	44	0.0	-46.38	361.69	10.88	-35.50
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CN=C1N1C=CC=N1	REAL300012064716	0	45	0.0	-40.27	381.44	11.40	-28.87
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N#CC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064750	0	37	0.0	-58.83	327.28	10.23	-48.60
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CC1=CC=C(C2=NNC=C2C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064752	0	46	0.0	-39.38	380.75	10.53	-28.85
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COC1=CC=C(C2=NNC=C2C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064754	0	47	0.0	-41.00	388.00	9.20	-31.80
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CCOC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=NN1CC(C)C	REAL300012064756	0	55	0.0	-32.54	435.83	10.16	-22.38
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CC1=CC=C(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)O2)C=C1	REAL300012064758	0	46	0.0	-39.63	391.42	12.66	-26.97
CC1=CC=C(C2=NNC=C2C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012064759	0	43	0.0	-33.55	366.02	8.95	-24.60
O=C([O-])C[C@@H]([NH2+]CC1=CNN=C1C1=CC=CN=C1)C1=CC=CC(Cl)=C1	REAL300012064760	0	42	0.0	-40.50	354.20	8.07	-32.43
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(OCC2CCCO2)C=C1)C1=CC=CC(Cl)=C1	REAL300012064761	0	51	0.0	-39.02	418.09	10.69	-28.33
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O=C([O-])C[C@@H]([NH2+]CC1=CC=CC2=CC=CN=C21)C1=CC=CC(Cl)=C1	REAL300012064764	0	41	0.0	-46.94	346.31	10.36	-36.58
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1)C1=CC=CC(Cl)=C1	REAL300012064765	0	49	0.0	-35.25	407.91	11.51	-23.74
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064766	0	45	0.0	-41.69	380.57	9.08	-32.61
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CCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012064770	0	39	0.0	-36.95	333.92	9.82	-27.13
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CCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064776	0	43	0.0	-34.74	361.13	10.30	-24.44
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012064777	0	39	0.0	-35.86	336.49	10.79	-25.07
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O=C([O-])C[C@@H]([NH2+]CC1=CC(C(F)(F)F)=CC=C1F)C1=CC=CC(Cl)=C1	REAL300012064782	0	39	0.0	-37.50	353.28	11.15	-26.35
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Cl)=C1OC	REAL300012064783	0	44	0.0	-33.58	382.68	9.79	-23.79
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CC(C)C1=NN(C)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064790	0	45	0.0	-34.75	373.69	9.65	-25.10
CC(C)C1=NN(C)C(Cl)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064791	1	45	0.0	-48.30	386.50	9.78	-38.52
COCCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064792	0	47	0.0	-36.16	394.76	9.58	-26.58
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1Cl	REAL300012064793	0	40	0.0	-41.52	355.30	9.93	-31.59
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CC(C)N1C2=CC=CC=C2N=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064795	1	48	0.0	-51.67	387.81	11.41	-40.26
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CCCN1C2=CC=CC=C2N=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064799	1	48	0.0	-33.61	400.33	12.10	-21.51
CCCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064800	0	46	0.0	-34.61	382.63	11.10	-23.51
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CC(C)OC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064803	0	46	0.0	-36.26	379.60	10.98	-25.28
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CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CN=C1Cl	REAL300012064815	0	38	0.0	-39.45	340.27	9.31	-30.14
COC1=CC=C(OC(F)F)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064816	0	44	0.0	-50.30	373.84	8.75	-41.55
O=C([O-])C[C@@H]([NH2+]CC1=C(Cl)C=CC=C1OC(F)F)C1=CC=CC(Cl)=C1	REAL300012064817	1	40	0.0	-46.00	358.38	9.88	-36.12
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC1=CC=CN=C1	REAL300012064818	0	49	0.0	-54.74	410.89	11.64	-43.10
CC1=CC=C(C2=NC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)S2)C=C1	REAL300012064819	0	45	0.0	-35.48	396.22	11.79	-23.69
O=C([O-])C[C@@H]([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=CC=CC(Cl)=C1	REAL300012064820	0	41	0.0	-42.19	363.00	10.86	-31.33
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(F)C2=CC=CN=C12)C1=CC=CC(Cl)=C1	REAL300012064821	0	41	0.0	-31.75	355.24	10.65	-21.10
O=C([O-])C[C@@H]([NH2+]CC1=CC(F)=CC2=CC=CN=C21)C1=CC=CC(Cl)=C1	REAL300012064822	0	41	0.0	-42.94	352.70	10.42	-32.52
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(Cl)C2=CC=CN=C12)C1=CC=CC(Cl)=C1	REAL300012064823	0	41	0.0	-31.23	364.12	11.02	-20.21
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)C1=CC=CC(Cl)=C1	REAL300012064824	0	43	0.0	-52.60	381.15	11.90	-40.70
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012064825	0	46	0.0	-52.71	393.57	12.48	-40.23
CCC1=CC=C(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)O2)C=C1	REAL300012064826	0	49	0.0	-39.46	412.90	13.42	-26.04
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(OC(F)F)=C1	REAL300012064827	0	44	0.0	-35.14	377.11	8.99	-26.15
COC1=CC=C2OC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC2=C1	REAL300012064828	0	43	0.0	-40.84	367.12	9.89	-30.95
O=C([O-])C[C@@H]([NH2+]CC=CC1=CC=C(Cl)C=C1)C1=CC=CC(Cl)=C1	REAL300012064829	0	40	0.0	-37.83	357.54	11.90	-25.93
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C2=CC=CC=C2O1	REAL300012064830	0	42	0.0	-35.89	358.72	11.24	-24.65
O=C([O-])C[C@@H]([NH2+]CC1=COC2=CC=CC=C12)C1=CC=CC(Cl)=C1	REAL300012064831	0	39	0.0	-37.41	337.68	10.45	-26.96
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(OC2=CC=CC=C2)O1)C1=CC=CC(Cl)=C1	REAL300012064832	0	44	0.0	-53.54	373.22	11.60	-41.94
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1Br	REAL300012064833	0	39	0.0	-35.01	349.26	11.26	-23.75
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N=C1	REAL300012064834	0	38	0.0	-38.49	326.18	8.91	-29.58
O=C([O-])C[C@@H]([NH2+]CC=CC1=CC=C(F)C=C1F)C1=CC=CC(Cl)=C1	REAL300012064835	0	40	0.0	-37.21	352.73	11.48	-25.73
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1Br	REAL300012064836	0	39	0.0	-37.55	349.27	11.26	-26.29
O=C([O-])C[C@@H]([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C1=CC=CC(Cl)=C1	REAL300012064837	1	43	0.0	-41.38	368.66	11.20	-30.18
O=C([O-])C[C@@H]([NH2+]CC1=C(Cl)SC=C1)C1=CC=CC(Cl)=C1	REAL300012064838	0	33	0.0	-46.15	310.53	9.37	-36.78
O=C([O-])C[C@@H]([NH2+]CC1=CC(Cl)=CC2=C1OCC2)C1=CC=CC(Cl)=C1	REAL300012064839	0	41	0.0	-33.42	362.27	10.39	-23.03
O=C([O-])C[C@@H]([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=CC(Cl)=C1	REAL300012064840	0	40	0.0	-55.62	344.81	9.86	-45.76
O=C([O-])C[C@@H]([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=CC(Cl)=C1	REAL300012064841	0	40	0.0	-37.62	348.07	10.09	-27.53
CCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012064842	0	42	0.0	-36.75	358.69	7.66	-29.09
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC2=CC=CN=C12	REAL300012064843	0	44	0.0	-39.72	371.01	11.27	-28.45
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1Cl	REAL300012064844	0	39	0.0	-37.49	345.24	11.18	-26.31
O=C([O-])C[C@@H]([NH2+]CC1=CN=C2C=CSC2=C1)C1=CC=CC(Cl)=C1	REAL300012064845	0	38	0.0	-55.49	338.29	9.32	-46.17
CCCC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064846	0	45	0.0	-35.05	374.16	12.29	-22.76
CCN(CC)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012064847	0	50	0.0	-40.98	409.04	11.13	-29.85
COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C(SC)C=C1OC	REAL300012064848	0	48	0.0	-33.30	401.50	10.12	-23.18
COC1=CC=C2N=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)SC2=C1	REAL300012064849	0	42	0.0	-35.00	371.45	8.89	-26.11
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064850	1	42	0.0	-35.47	372.91	10.94	-24.53
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C#N	REAL300012064851	0	41	0.0	-48.44	359.49	9.79	-38.65
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(SC(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012064852	0	40	0.0	-39.51	359.59	11.34	-28.17
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064853	0	42	0.0	-34.72	355.88	11.51	-23.21
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C1=CC=CC(Cl)=C1	REAL300012064854	0	40	0.0	-42.50	355.26	9.73	-32.77
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N=C1	REAL300012064855	0	42	0.0	-39.52	356.18	8.45	-31.07
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064856	0	42	0.0	-53.11	359.96	11.45	-41.66
COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(Cl)=C1OC	REAL300012064857	0	44	0.0	-37.76	388.37	9.90	-27.86
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OCC(C)C	REAL300012064858	0	53	0.0	-40.01	431.98	11.68	-28.33
CCCOC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC	REAL300012064859	0	50	0.0	-40.36	411.87	11.00	-29.36
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(Br)S1)C1=CC=CC(Cl)=C1	REAL300012064860	0	33	0.0	-35.05	321.67	9.91	-25.14
CCOC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(Cl)=C1OC	REAL300012064861	0	47	0.0	-37.58	410.23	10.82	-26.76
C=CCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064862	0	44	0.0	-34.90	374.03	10.89	-24.01
COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1OC(C)C	REAL300012064863	0	50	0.0	-47.46	404.69	10.87	-36.59
CCOC1=C(Cl)C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC	REAL300012064864	0	47	0.0	-37.65	410.23	10.85	-26.80
CCCOC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=CC=C1OCC	REAL300012064865	0	53	0.0	-48.26	427.14	11.92	-36.34
CCCCOC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC	REAL300012064866	0	53	0.0	-40.28	433.37	11.78	-28.50
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC(F)F	REAL300012064867	0	44	0.0	-42.83	378.28	9.57	-33.26
CCOC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC(F)F	REAL300012064868	0	47	0.0	-40.28	400.13	10.48	-29.80
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(C)=C1OC(F)F	REAL300012064869	0	46	0.0	-38.89	388.31	11.13	-27.76
CCOC1=CC2=C(C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1)OC(C)C2	REAL300012064870	0	51	0.0	-47.53	413.40	10.72	-36.81
COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC2=C1OCCO2	REAL300012064871	0	46	0.0	-56.56	380.11	8.87	-47.69
CCCCN1N=C(C)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Cl	REAL300012064872	1	48	0.0	-33.17	412.67	11.11	-22.06
CCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1OC(F)F	REAL300012064873	0	47	0.0	-47.26	390.05	10.68	-36.58
CC1=CC(C)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C	REAL300012064874	0	45	0.0	-34.00	362.50	11.79	-22.21
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)S1)C1=CC=CC(Cl)=C1	REAL300012064875	0	43	0.0	-35.13	377.62	12.86	-22.27
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1)C1=CC=CC(Cl)=C1	REAL300012064876	0	43	0.0	-56.63	381.36	11.91	-44.72
CC(C)(C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1)C1=CC=CC=C1	REAL300012064877	0	45	0.0	-31.87	357.86	11.80	-20.07
CN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2CCCCC2)=N1	REAL300012064878	0	52	0.0	-34.34	415.39	11.56	-22.78
CC1CCC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300012064879	0	45	0.0	-34.35	351.84	11.05	-23.30
CC(CCC1=CC=CC=C1)C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064880	0	48	0.0	-35.46	388.95	12.96	-22.50
CCC1CCCC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C1	REAL300012064881	0	48	0.0	-33.88	370.01	11.68	-22.20
CC1(C)CCC2=C(C1)SC(C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1)=N2	REAL300012064882	1	48	0.0	-31.04	394.02	10.74	-20.30
CCC1=CC=CC(Cl)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064883	0	42	0.0	-43.79	354.26	11.58	-32.21
CC1=C(C)C=C2OC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC2=C1	REAL300012064884	0	45	0.0	-40.29	375.96	11.81	-28.48
CCCC1CCC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300012064885	0	51	0.0	-34.50	384.51	12.18	-22.32
CC1CCCCC1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064886	0	45	0.0	-31.54	341.37	10.66	-20.88
O=C([O-])C[C@@H]([NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1)C1=CC=CC(Cl)=C1	REAL300012064887	0	43	0.0	-39.71	375.27	10.43	-29.28
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(N2C=CN=C2)C=C1)C1=CC=CC(Cl)=C1	REAL300012064888	0	43	0.0	-42.92	365.73	12.46	-30.46
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2F)O1)C1=CC=CC(Cl)=C1	REAL300012064889	0	43	0.0	-53.26	375.08	11.85	-41.41
O=C([O-])C[C@@H]([NH2+]CC1=CC(Cl)=C2OCCOC2=C1)C1=CC=CC(Cl)=C1	REAL300012064890	0	42	0.0	-55.38	366.89	9.53	-45.85
CCCCC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C2=CC=CC=C2O1	REAL300012064891	0	51	0.0	-37.93	422.32	13.54	-24.39
O=C([O-])C[C@@H]([NH2+]CC1=CC(Cl)=C2OCCCOC2=C1)C1=CC=CC(Cl)=C1	REAL300012064892	0	45	0.0	-57.56	385.32	10.34	-47.22
COC1=CC=C(C)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064893	0	43	0.0	-31.41	359.39	10.09	-21.32
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012064894	0	40	0.0	-43.39	345.50	9.45	-33.94
O=C([O-])C[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C1=CC=CC(Cl)=C1	REAL300012064895	0	45	0.0	-37.69	368.38	11.36	-26.33
CC(C)C1CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CCO1	REAL300012064896	0	49	0.0	-34.57	373.77	9.90	-24.67
CC1(C)CCC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300012064897	0	48	0.0	-31.74	364.92	11.32	-20.42
CCSC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064898	0	43	0.0	-34.39	371.45	11.93	-22.46
O=C([O-])C[C@@H]([NH2+]CC1=C(O)C=CC(Cl)=C1F)C1=CC=CC(Cl)=C1	REAL300012064899	1	37	0.0	-31.26	340.90	7.81	-23.45
COC1(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CCCCC1	REAL300012064900	0	46	0.0	-32.15	353.05	9.45	-22.70
CCN1N=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C2=CC=CC=C21	REAL300012064901	0	45	0.0	-49.85	378.18	10.63	-39.22
COCCC1(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CCCCC1	REAL300012064902	0	52	0.0	-49.29	384.88	10.03	-39.26
CCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064903	0	46	0.0	-36.68	382.63	11.10	-25.58
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O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)O1)C1=CC=CC(Cl)=C1	REAL300012064905	0	43	0.0	-51.36	366.67	11.73	-39.63
COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC(C)C	REAL300012064906	0	50	0.0	-40.23	407.94	10.84	-29.39
CCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OCC	REAL300012064907	0	53	0.0	-40.30	433.73	11.92	-28.38
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1[N+](=O)[O-]	REAL300012064908	0	41	0.0	-47.89	353.84	11.27	-36.62
CC(C)OC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064909	0	46	0.0	-37.07	379.58	10.98	-26.09
CC(C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012064910	0	57	0.0	-33.36	442.85	14.46	-18.90
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1F	REAL300012064911	0	39	0.0	-38.54	336.50	10.78	-27.76
O=C([O-])C[C@@H]([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=CC(Cl)=C1	REAL300012064912	0	40	0.0	-50.42	337.78	9.85	-40.57
O=C([O-])C[C@@H]([NH2+]CC1=C(Br)C=CS1)C1=CC=CC(Cl)=C1	REAL300012064913	0	33	0.0	-29.43	319.35	9.71	-19.72
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O=C([O-])C[C@@H]([NH2+]CC1=CC(F)=CC(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300012064921	0	36	0.0	-35.83	332.81	10.64	-25.19
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COC1=CC=CC=C1C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064932	0	50	0.0	-38.62	418.01	13.14	-25.48
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COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C2=CC=CC=C12	REAL300012064935	0	46	0.0	-51.20	375.72	11.33	-39.87
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O=C([O-])C[C@@H]([NH2+]CC1=NNC=C1C1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300012064936	1	43	0.0	-48.02	363.56	9.91	-38.11
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CN1C2=CC=CC=C2N=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064938	1	42	0.0	-40.15	356.59	10.42	-29.73
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012064939	0	39	0.0	-40.90	336.81	6.77	-34.13
O=C([O-])C[C@@H]([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=CC(Cl)=C1	REAL300012064940	0	41	0.0	-38.24	345.66	9.91	-28.33
O=C([O-])C[C@@H]([NH2+]CC1=CSC(Br)=C1)C1=CC=CC(Cl)=C1	REAL300012064941	0	33	0.0	-38.30	321.43	9.76	-28.54
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CC1=CC(F)=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064946	0	39	0.0	-35.99	326.68	10.62	-25.37
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CC1=NC(C)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012064948	0	38	0.0	-49.96	332.21	8.31	-41.65
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)C1=CC=CC(Cl)=C1	REAL300012064949	0	45	0.0	-41.25	381.50	11.96	-29.29
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=CC(Cl)=C1	REAL300012064950	0	45	0.0	-38.01	379.00	11.72	-26.29
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC=CC(Cl)=C1	REAL300012064951	0	45	0.0	-39.81	379.19	11.73	-28.08
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064952	0	51	0.0	-51.02	399.78	10.35	-40.67
CN1CCN(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2)CC1	REAL300012064953	1	53	0.0	-46.19	415.64	8.50	-37.69
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=CC=CC(Cl)=C1	REAL300012064954	0	45	0.0	-40.32	391.15	8.61	-31.71
CNC(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012064955	0	43	0.0	-42.38	366.24	8.36	-34.02
O=C([O-])C[C@@H]([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CC=CC(Cl)=C1	REAL300012064956	0	43	0.0	-57.14	371.66	11.12	-46.02
O=C([O-])C[C@@H]([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=CC=CC(Cl)=C1	REAL300012064957	0	43	0.0	-56.52	381.98	11.57	-44.95
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012064958	0	43	0.0	-40.97	380.70	10.77	-30.20
O=C([O-])C[C@@H]([NH2+]CC1=CC2=CC=CC=C2C=C1)C1=CC=CC(Cl)=C1	REAL300012064959	0	42	0.0	-37.34	355.88	12.34	-25.00
COC1=C2OC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC2=CC=C1	REAL300012064960	0	43	0.0	-43.76	367.15	9.90	-33.86
CC(C)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1[N+](=O)[O-]	REAL300012064961	0	47	0.0	-39.24	392.17	12.23	-27.01
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064962	0	52	0.0	-41.01	431.76	12.68	-28.33
O=C([O-])C[C@@H]([NH2+]CC1=CC(Br)=CC=C1F)C1=CC=CC(Cl)=C1	REAL300012064963	0	36	0.0	-32.95	336.63	10.71	-22.24
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(Br)C=C1F)C1=CC=CC(Cl)=C1	REAL300012064964	0	36	0.0	-32.38	336.53	10.72	-21.66
COC1=CC(OC)=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064965	0	44	0.0	-37.36	368.75	8.69	-28.67
COC1=CC2=CC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2C=C1	REAL300012064966	0	46	0.0	-40.69	385.23	11.63	-29.06
O=C([O-])C[C@@H]([NH2+]CC1=CC(Br)=CS1)C1=CC=CC(Cl)=C1	REAL300012064968	0	33	0.0	-35.35	321.47	9.81	-25.54
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064969	0	49	0.0	-53.70	404.05	11.96	-41.74
COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1OC(F)F	REAL300012064970	0	44	0.0	-49.92	373.47	9.39	-40.53
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(CSC(F)F)O1)C1=CC=CC(Cl)=C1	REAL300012064971	0	40	0.0	-39.97	370.30	10.66	-29.31
O=C([O-])C[C@@H]([NH2+]CC1=CC2=CC=CC=C2NC1=O)C1=CC=CC(Cl)=C1	REAL300012064972	0	42	0.0	-42.94	360.12	9.15	-33.79
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(F)C(Br)=C1)C1=CC=CC(Cl)=C1	REAL300012064974	0	36	0.0	-42.14	336.78	10.74	-31.40
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(N2CCCCC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012064975	0	51	0.0	-35.63	402.69	11.36	-24.27
CCCCCCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064976	0	55	0.0	-34.55	447.12	13.45	-21.10
COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1SC	REAL300012064977	0	44	0.0	-40.45	378.69	10.43	-30.02
N#CCCCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064978	0	47	0.0	-41.71	403.48	11.62	-30.09
CCC(C)OC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC	REAL300012064979	0	53	0.0	-39.80	428.95	11.58	-28.22
C=C(C)COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC	REAL300012064980	0	51	0.0	-40.68	422.69	11.55	-29.13
C=CCC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(OC)=C1O	REAL300012064981	0	48	0.0	-37.17	404.53	9.21	-27.96
O=C([O-])C[C@@H]([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1=CC=CC(Cl)=C1	REAL300012064982	0	43	0.0	-39.23	369.17	10.00	-29.23
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064983	0	45	0.0	-54.92	384.68	10.78	-44.14
O=C([O-])C[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=N1)C1=CC=CC(Cl)=C1	REAL300012064984	1	42	0.0	-47.08	362.68	9.91	-37.17
O=C([O-])C[C@@H]([NH2+]CC1=NC(C2=CC=CC=C2)=CS1)C1=CC=CC(Cl)=C1	REAL300012064985	1	42	0.0	-33.87	372.92	10.84	-23.03
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CN1C=NC2=CC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC=C21	REAL300012064987	0	42	0.0	-38.66	358.16	11.42	-27.24
CCN1N=C(C)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1C	REAL300012064988	0	45	0.0	-39.54	372.07	9.66	-29.88
C=CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1Cl	REAL300012064989	0	44	0.0	-41.70	390.06	11.44	-30.26
O=C([O-])C[C@@H]([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C1=CC=CC(Cl)=C1	REAL300012064990	0	42	0.0	-37.96	374.80	11.11	-26.85
COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C2OC(C)CC2=C1	REAL300012064991	0	48	0.0	-32.52	396.20	9.94	-22.58
CC1(C)CC2=CC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC=C2O1	REAL300012064992	0	47	0.0	-53.20	383.83	11.09	-42.11
O=C([O-])C[C@@H]([NH2+]CC1=COC(C2=CC=CC=C2)=N1)C1=CC=CC(Cl)=C1	REAL300012064993	1	42	0.0	-51.56	363.08	8.23	-43.33
O=C([O-])C[C@@H]([NH2+]CC1=CSC(C2=CC=CS2)=N1)C1=CC=CC(Cl)=C1	REAL300012064994	1	39	0.0	-40.59	366.25	9.91	-30.68
CC1=CC=CC(C2=NNC=C2C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064995	0	46	0.0	-39.59	380.55	10.53	-29.06
CC1=CC=C(F)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012064996	0	39	0.0	-37.61	335.63	10.80	-26.81
CC1=CC=C(F)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012064997	0	39	0.0	-33.73	326.69	10.62	-23.11
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CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Br)=C1	REAL300012064999	0	39	0.0	-29.34	343.66	11.15	-18.19
CC1=NC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065000	0	38	0.0	-36.30	319.30	8.79	-27.51
CC(C)COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065001	0	49	0.0	-36.40	402.73	11.80	-24.60
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CC1=CCCC(C)C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065005	0	46	0.0	-47.70	350.97	11.53	-36.17
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CC(C)COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065008	0	49	0.0	-34.45	402.73	11.80	-22.65
CC1=CC(Cl)=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065009	0	39	0.0	-35.18	337.00	11.06	-24.12
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CN1N=NC2=CC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC=C21	REAL300012065013	0	41	0.0	-61.19	350.40	8.28	-52.91
O=C([O-])C[C@@H]([NH2+]CC1CCCCCC1)C1=CC=CC(Cl)=C1	REAL300012065014	0	45	0.0	-33.90	342.25	10.85	-23.05
CC1(C)CC2=CC=CC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=C2O1	REAL300012065015	0	47	0.0	-46.47	383.63	11.05	-35.42
COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012065016	0	39	0.0	-36.88	336.84	6.73	-30.15
CN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CC=CC=C2)=N1	REAL300012065017	0	46	0.0	-41.87	382.20	11.20	-30.67
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=CC(Cl)=C1	REAL300012065018	0	43	0.0	-54.06	364.78	11.04	-43.02
CC(C)N1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012065019	0	42	0.0	-52.96	349.44	9.04	-43.92
CC1=C(Br)SC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065020	0	36	0.0	-51.24	337.92	10.28	-40.96
CC1=NC2=CC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2C=C1	REAL300012065021	0	44	0.0	-40.15	372.48	11.05	-29.10
O=C([O-])C[C@@H]([NH2+]CC1=NC=CC=C1C(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012065022	0	38	0.0	-31.65	331.41	8.97	-22.68
CC1=CC(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2)=CC(C)=C1	REAL300012065023	0	52	0.0	-37.80	426.78	14.82	-22.98
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1N1C=NC=N1	REAL300012065024	0	45	0.0	-41.02	378.84	13.57	-27.45
O=C([O-])C[C@@H]([NH2+]CC1=CC2=CC(F)=CC=C2O1)C1=CC=CC(Cl)=C1	REAL300012065025	0	39	0.0	-40.72	344.07	10.67	-30.05
O=C([O-])CC([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012065026	0	43	0.0	-42.52	374.26	10.63	-31.89
COCC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065027	0	43	0.0	-37.66	364.84	9.80	-27.86
CCCCOC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065028	0	49	0.0	-30.80	402.83	11.93	-18.87
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1=CC=CC(Cl)=C1	REAL300012065029	0	47	0.0	-38.52	410.29	14.16	-24.36
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C(OC(F)F)C=C1C	REAL300012065030	0	46	0.0	-32.41	386.81	10.93	-21.48
COC1=CC(C)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC	REAL300012065031	0	47	0.0	-35.82	378.97	9.74	-26.08
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065032	1	42	0.0	-35.61	372.98	10.94	-24.67
O=C([O-])C[C@@H]([NH2+]CC1=CNN=C1C1=CSC=C1)C1=CC=CC(Cl)=C1	REAL300012065033	0	40	0.0	-39.64	349.55	8.90	-30.74
O=C([O-])C[C@@H]([NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1)C1=CC=CC(Cl)=C1	REAL300012065034	0	46	0.0	-44.63	400.41	11.81	-32.82
CC1CCC2=C(C1)SC(C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1)=N2	REAL300012065035	1	45	0.0	-31.94	379.09	10.44	-21.50
CC(C)(C)C1CCC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300012065036	0	54	0.0	-34.47	392.77	12.18	-22.29
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065037	0	50	0.0	-31.84	412.03	12.83	-19.01
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065038	0	50	0.0	-31.87	412.05	12.85	-19.02
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C(C)O1	REAL300012065039	0	39	0.0	-36.36	330.04	9.63	-26.73
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065040	0	49	0.0	-34.45	407.28	11.09	-23.36
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(OCC2CC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012065041	0	47	0.0	-36.80	392.80	11.88	-24.92
COC1=CC(Cl)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1Cl	REAL300012065042	0	40	0.0	-32.58	366.78	10.34	-22.24
CC(C)CC1=NC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065043	0	44	0.0	-50.43	374.27	10.02	-40.41
O=C([O-])C[C@@H]([NH2+]CC1=CN=C(C2=CC=CS2)S1)C1=CC=CC(Cl)=C1	REAL300012065044	0	39	0.0	-35.89	366.67	10.18	-25.71
O=C([O-])C[C@@H]([NH2+]CC1=CN=C(C2=CSC=C2)S1)C1=CC=CC(Cl)=C1	REAL300012065045	0	39	0.0	-37.62	365.93	10.06	-27.56
CC1=CC=C(C2=NC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)S2)O1	REAL300012065046	0	42	0.0	-37.65	379.51	10.01	-27.64
CC1=CC(Br)=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065047	0	39	0.0	-35.21	341.57	11.17	-24.04
O=C([O-])C[C@@H]([NH2+]CC1=CNN=C1C1=CC=CC=C1F)C1=CC=CC(Cl)=C1	REAL300012065048	0	43	0.0	-52.99	369.43	9.77	-43.22
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)C1=CC=CC(Cl)=C1	REAL300012065049	0	45	0.0	-34.99	384.62	11.75	-23.24
O=C([O-])C[C@@H]([NH2+]CC1=C(Cl)OC2=CC=CC=C21)C1=CC=CC(Cl)=C1	REAL300012065050	0	39	0.0	-37.26	353.88	11.03	-26.23
COCCOC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065051	0	47	0.0	-31.65	392.70	9.58	-22.07
COC1=C(Br)C=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065052	0	40	0.0	-32.87	359.83	10.13	-22.74
O=C([O-])C[C@@H]([NH2+]CC1=NC2=C(CCC2)S1)C1=CC=CC(Cl)=C1	REAL300012065053	1	39	0.0	-32.75	340.40	9.24	-23.51
CN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CC=CS2)=N1	REAL300012065054	0	43	0.0	-33.18	368.98	10.17	-23.01
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065055	0	40	0.0	-37.05	339.27	9.38	-27.67
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1)C1=CC=CC(Cl)=C1	REAL300012065056	0	43	0.0	-53.05	373.07	11.80	-41.25
CC(C)(C)C1=NC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065057	0	44	0.0	-33.70	376.64	9.87	-23.83
O=C([O-])C[C@@H]([NH2+]CC1=CC=C2OCCOC2=C1)C1=CC=CC(Cl)=C1	REAL300012065058	0	42	0.0	-35.96	354.30	9.24	-26.72
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(Br)=C1)C1=CC=CC(Cl)=C1	REAL300012065059	0	36	0.0	-52.07	327.71	10.46	-41.61
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300012065060	0	36	0.0	-52.02	323.15	10.35	-41.67
O=C([O-])C[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1)C1=CC=CC(Cl)=C1	REAL300012065061	0	43	0.0	-50.39	365.25	11.04	-39.35
CC(C)(C)N1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012065062	0	45	0.0	-52.48	369.18	9.66	-42.82
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(C)=C1	REAL300012065063	0	42	0.0	-49.31	349.23	11.17	-38.14
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(CO)O1)C1=CC=CC(Cl)=C1	REAL300012065064	0	37	0.0	-40.02	323.84	5.70	-34.32
CC(=O)NC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065065	0	43	0.0	-39.25	365.83	8.98	-30.27
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC=C1Cl)C1=CC=CC(Cl)=C1	REAL300012065066	0	36	0.0	-32.65	321.55	10.55	-22.10
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC([N+](=O)[O-])=C1)C1=CC=CC(Cl)=C1	REAL300012065067	0	38	0.0	-61.29	334.63	10.51	-50.78
O=C([O-])C[C@@H]([NH2+]CC1=CC=C([N+](=O)[O-])C=C1)C1=CC=CC(Cl)=C1	REAL300012065068	0	38	0.0	-45.84	337.99	10.75	-35.09
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC2=CC=CC=C21)C1=CC=CC(Cl)=C1	REAL300012065069	0	42	0.0	-34.23	346.94	12.08	-22.15
CN(C)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065070	0	44	0.0	-35.55	362.27	10.50	-25.05
CCN(CC)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065071	0	50	0.0	-34.89	404.90	12.38	-22.51
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(Br)C=C1)C1=CC=CC(Cl)=C1	REAL300012065072	0	36	0.0	-37.67	331.06	10.70	-26.97
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(Cl)C=C1)C1=CC=CC(Cl)=C1	REAL300012065073	0	36	0.0	-37.64	326.50	10.60	-27.04
COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(OC)=C1OC	REAL300012065074	0	48	0.0	-57.73	398.32	8.96	-48.77
O=C([O-])C[C@@H]([NH2+]CC1=C(F)C=CC=C1Cl)C1=CC=CC(Cl)=C1	REAL300012065075	1	36	0.0	-44.98	325.78	10.27	-34.71
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(F)C=C1)C1=CC=CC(Cl)=C1	REAL300012065076	0	36	0.0	-38.48	316.18	10.15	-28.33
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC=C1OC(F)F)C1=CC=CC(Cl)=C1	REAL300012065077	0	40	0.0	-35.39	347.74	9.69	-25.70
COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1OC	REAL300012065078	0	44	0.0	-32.85	368.64	9.34	-23.51
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(Cl)C=C1Cl)C1=CC=CC(Cl)=C1	REAL300012065079	0	36	0.0	-31.29	337.47	10.97	-20.32
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(N2CCOCC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012065080	0	49	0.0	-34.86	393.78	8.91	-25.95
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC	REAL300012065081	0	44	0.0	-40.80	368.52	9.28	-31.52
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(OC)=C1	REAL300012065082	0	44	0.0	-31.56	367.36	8.71	-22.85
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C(F)(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012065083	0	39	0.0	-39.46	348.51	11.08	-28.38
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(F)C=C1F)C1=CC=CC(Cl)=C1	REAL300012065084	0	36	0.0	-32.88	321.65	10.16	-22.72
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(Cl)=C1Cl)C1=CC=CC(Cl)=C1	REAL300012065085	0	36	0.0	-39.17	336.84	11.01	-28.16
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(Cl)C(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300012065086	0	36	0.0	-41.08	341.69	11.05	-30.03
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(OC(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012065087	0	40	0.0	-40.39	349.03	9.66	-30.73
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC=C1C(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012065088	0	39	0.0	-29.97	335.33	10.88	-19.09
CCCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065089	0	49	0.0	-36.62	404.13	11.89	-24.73
CC(C)CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065090	0	52	0.0	-36.53	421.69	12.41	-24.12
CCCCCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065091	0	55	0.0	-36.61	447.12	13.45	-23.16
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=CC(Cl)=C1	REAL300012065092	0	47	0.0	-40.29	398.94	12.95	-27.34
COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065093	0	40	0.0	-50.96	335.92	9.14	-41.82
CC(=CC1=CC=CC=C1)C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065094	0	43	0.0	-35.95	357.15	11.83	-24.12
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC	REAL300012065095	0	47	0.0	-40.68	390.37	10.20	-30.48
CC(C)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065096	0	45	0.0	-34.98	369.99	12.01	-22.97
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(C(F)(F)F)=C1)C1=CC=CC(Cl)=C1	REAL300012065097	0	39	0.0	-36.44	348.49	11.07	-25.37
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(OC)=C1OC	REAL300012065098	0	48	0.0	-35.16	401.77	9.26	-25.90
CCOC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065099	0	43	0.0	-30.96	359.83	10.35	-20.61
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065100	0	43	0.0	-37.79	361.13	10.30	-27.49
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC=C1F)C1=CC=CC(Cl)=C1	REAL300012065101	0	36	0.0	-34.88	314.16	10.12	-24.76
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(F)=C1)C1=CC=CC(Cl)=C1	REAL300012065102	0	36	0.0	-52.94	312.83	9.91	-43.03
COC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065103	0	40	0.0	-29.94	337.86	9.42	-20.52
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)SC=C1	REAL300012065104	0	36	0.0	-31.73	316.66	9.69	-22.04
COC1=CC=C(Br)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065105	0	40	0.0	-33.64	359.27	10.04	-23.60
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1)C1=CC=CC(Cl)=C1	REAL300012065106	0	46	0.0	-37.58	383.99	13.49	-24.09
CC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065107	0	39	0.0	-31.18	320.63	10.51	-20.67
COC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C2=CC=CC=C2C=C1	REAL300012065108	0	46	0.0	-45.69	376.80	11.29	-34.40
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065109	0	39	0.0	-35.15	331.17	10.75	-24.40
N#CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065110	0	37	0.0	-42.78	330.62	10.47	-32.31
CSC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065111	0	40	0.0	-36.87	349.99	11.10	-25.77
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COC1=CC(OC)=C(OC)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065113	0	48	0.0	-36.29	396.71	8.62	-27.67
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NC(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065149	0	40	0.0	-42.30	344.31	6.86	-35.44
COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1F	REAL300012065150	0	40	0.0	-41.55	345.50	9.44	-32.11
COC1=CC=C(Cl)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065151	0	40	0.0	-33.67	354.70	9.93	-23.74
COC(=O)C1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CN1C	REAL300012065152	0	43	0.0	-37.92	369.19	10.27	-27.65
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1Cl	REAL300012065153	0	39	0.0	-35.19	345.23	11.18	-24.01
COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1C	REAL300012065154	0	43	0.0	-51.70	356.00	9.89	-41.81
CC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1F	REAL300012065155	0	39	0.0	-30.52	335.65	10.75	-19.77
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CC1=NN(C)C2=NC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C12	REAL300012065163	0	44	0.0	-60.43	372.69	9.57	-50.86
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CCC1=NC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CS1	REAL300012065165	1	38	0.0	-48.16	334.47	8.31	-39.85
O=C([O-])C[C@@H]([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C1=CC=CC(Cl)=C1	REAL300012065166	1	39	0.0	-51.42	350.12	10.85	-40.57
CC1=NN(C)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065167	0	39	0.0	-53.28	329.00	8.20	-45.08
CCOCC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OC	REAL300012065168	0	50	0.0	-38.98	413.36	10.29	-28.69
CCN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012065169	0	39	0.0	-53.94	330.76	8.51	-45.43
NC(=O)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065170	0	40	0.0	-56.83	340.97	6.62	-50.21
O=C([O-])C[C@@H]([NH2+]CC1=NC=CN1CC(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012065171	1	39	0.0	-42.79	346.80	9.56	-33.23
O=C([O-])C[C@@H]([NH2+]CC1CCCCCCC1)C1=CC=CC(Cl)=C1	REAL300012065172	0	48	0.0	-44.96	349.36	10.99	-33.97
CC1=CSC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012065173	1	35	0.0	-32.51	316.35	7.81	-24.70
COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1F	REAL300012065174	0	40	0.0	-32.82	344.65	9.41	-23.41
O=C([O-])C[C@@H]([NH2+]CC1=C(F)C=CC=C1Br)C1=CC=CC(Cl)=C1	REAL300012065175	1	36	0.0	-44.33	329.81	10.35	-33.98
O=C([O-])C[C@@H]([NH2+]CC1=CC=C2CCCC2=C1)C1=CC=CC(Cl)=C1	REAL300012065176	0	43	0.0	-35.58	355.27	11.99	-23.59
O=C([O-])C[C@@H]([NH2+]CC1=CSC=C1Br)C1=CC=CC(Cl)=C1	REAL300012065177	0	33	0.0	-46.49	314.73	9.35	-37.14
CC(C)COC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065178	0	49	0.0	-30.43	398.60	11.75	-18.68
CCN1N=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065179	0	39	0.0	-34.05	327.51	8.60	-25.45
O=C([O-])C[C@@H]([NH2+]CC1=NC2=C(CCCC2)S1)C1=CC=CC(Cl)=C1	REAL300012065180	1	42	0.0	-32.09	358.29	9.83	-22.26
O=C([O-])C[C@@H]([NH2+]CC1=CC(F)=CC(Br)=C1)C1=CC=CC(Cl)=C1	REAL300012065181	0	36	0.0	-35.87	337.37	10.75	-25.12
O=C([O-])C[C@@H]([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=CC(Cl)=C1	REAL300012065182	0	41	0.0	-56.23	347.42	10.31	-45.92
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(F)=C1Br)C1=CC=CC(Cl)=C1	REAL300012065183	1	36	0.0	-39.47	330.96	10.70	-28.77
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)SC=N1	REAL300012065184	0	35	0.0	-45.58	310.25	7.59	-37.99
COC1=CC(F)=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065185	0	40	0.0	-35.62	345.58	9.43	-26.19
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(Br)=C1F)C1=CC=CC(Cl)=C1	REAL300012065186	0	36	0.0	-42.13	334.83	10.74	-31.39
CC(C)(C)C1=NC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012065187	0	46	0.0	-40.10	381.40	10.04	-30.06
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=CS1	REAL300012065188	0	36	0.0	-31.80	313.99	9.66	-22.14
CS(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065189	0	41	0.0	-43.65	361.99	8.67	-34.98
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COC(=O)C1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CN1	REAL300012065192	0	40	0.0	-46.22	351.43	8.51	-37.71
COCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012065193	0	40	0.0	-51.91	342.74	7.86	-44.05
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1OC	REAL300012065194	0	47	0.0	-34.88	379.71	9.78	-25.10
O=C([O-])C[C@@H]([NH2+]CC1=CSC(Cl)=C1Cl)C1=CC=CC(Cl)=C1	REAL300012065195	1	33	0.0	-31.47	330.76	10.08	-21.39
CC1=NC(F)=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065196	0	38	0.0	-37.13	322.18	8.64	-28.49
COC1=CC(C)=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065197	0	43	0.0	-29.89	359.31	10.08	-19.81
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CS1	REAL300012065198	0	36	0.0	-34.95	321.63	9.83	-25.12
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N=N1	REAL300012065199	0	37	0.0	-45.20	321.29	7.79	-37.41
O=C([O-])C[C@@H]([NH2+]CC1=CN=C(C(F)(F)F)S1)C1=CC=CC(Cl)=C1	REAL300012065200	0	35	0.0	-38.28	335.86	8.49	-29.79
CS(=O)(=O)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065201	0	42	0.0	-59.11	367.11	7.36	-51.75
O=C([O-])C[C@@H]([NH2+]CC1=CC(Cl)=CS1)C1=CC=CC(Cl)=C1	REAL300012065202	0	33	0.0	-35.59	316.88	9.70	-25.89
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CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N(C)N=C1	REAL300012065204	0	39	0.0	-52.70	327.32	8.01	-44.69
CC1=CC(Cl)=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065205	0	39	0.0	-33.17	347.80	11.23	-21.94
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COC1=CC2=CC=CC=C2C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065212	0	46	0.0	-31.69	383.68	11.71	-19.98
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COC1=CC(C)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=N1	REAL300012065214	0	45	0.0	-37.96	367.26	7.72	-30.24
COC1=CC=CC(Cl)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065215	1	40	0.0	-44.00	348.63	9.60	-34.40
CCC1=CC(OC)=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065216	0	46	0.0	-49.73	369.31	10.42	-39.31
CC1=NC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N1C1=CC=CC=C1	REAL300012065217	0	46	0.0	-35.25	388.80	12.36	-22.89
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=NN1C	REAL300012065218	0	39	0.0	-52.32	326.13	8.07	-44.25
CCCN1N=C(C)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1C	REAL300012065219	0	48	0.0	-39.32	393.57	10.41	-28.91
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COCCN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012065221	0	43	0.0	-54.78	364.44	7.56	-47.22
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COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC2=CC=CC=C21	REAL300012065223	0	46	0.0	-53.40	380.89	11.44	-41.96
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012065224	0	43	0.0	-43.26	367.35	10.38	-32.88
COC1=CC=CC2=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=CC=C12	REAL300012065225	0	46	0.0	-33.74	375.29	11.44	-22.30
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COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1C#N	REAL300012065227	0	41	0.0	-45.78	359.48	9.79	-35.99
CC1=CC=CC=C1N1N=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065228	0	46	0.0	-48.29	380.97	11.67	-36.62
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1C#N	REAL300012065230	0	40	0.0	-42.74	349.78	10.97	-31.77
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COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Br)=C1	REAL300012065232	0	40	0.0	-31.17	351.69	9.77	-21.40
CC1=CN=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065233	1	35	0.0	-32.30	316.47	8.02	-24.28
CC(C)CN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012065234	0	45	0.0	-53.40	372.08	10.05	-43.35
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CC1=CC(Br)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065236	0	36	0.0	-29.88	341.28	10.53	-19.35
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065237	0	51	0.0	-54.63	416.12	12.55	-42.08
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065238	0	46	0.0	-29.81	398.71	12.80	-17.01
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CN1C(=O)CCC2=CC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC=C21	REAL300012065240	0	47	0.0	-43.91	386.47	11.00	-32.91
CC1=CC=C(OC(F)F)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065241	0	43	0.0	-35.24	369.14	10.37	-24.87
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O=C([O-])C[C@@H]([NH2+]CC1=CN=C(C2CCCC2)S1)C1=CC=CC(Cl)=C1	REAL300012065245	0	45	0.0	-50.37	378.32	10.47	-39.90
O=C([O-])C[C@@H]([NH2+]CC1=CN=C(C2CC2)S1)C1=CC=CC(Cl)=C1	REAL300012065246	0	39	0.0	-34.21	347.68	9.72	-24.49
CC(C)C1=NC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065247	0	41	0.0	-36.09	358.74	9.40	-26.69
O=C([O-])C[C@@H]([NH2+]CC1=CN=C(C2=CC=CO2)S1)C1=CC=CC(Cl)=C1	REAL300012065248	0	39	0.0	-40.38	357.57	9.19	-31.19
CN1C=C(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2)C=N1	REAL300012065249	0	46	0.0	-40.07	389.89	11.38	-28.69
O=C([O-])C[C@@H]([NH2+]CC1=CN(CC(F)F)N=C1)C1=CC=CC(Cl)=C1	REAL300012065250	0	39	0.0	-54.96	343.76	8.80	-46.16
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1)C1=CC=CC(Cl)=C1	REAL300012065251	0	47	0.0	-38.88	405.18	12.98	-25.90
CN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CC=C(F)C=C2)=N1	REAL300012065252	0	46	0.0	-40.06	388.64	11.27	-28.79
CN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CC=C(C#N)C=C2)=N1	REAL300012065253	0	47	0.0	-42.50	403.05	11.58	-30.92
CN(C)C(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N1	REAL300012065254	0	44	0.0	-42.53	366.65	8.29	-34.24
NC(=O)C1=CSC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065255	0	37	0.0	-38.77	336.11	5.95	-32.82
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012065256	0	50	0.0	-57.35	414.74	12.28	-45.07
CCC1=NN(C)C(CC)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065257	0	48	0.0	-48.76	383.42	10.13	-38.63
O=C([O-])C[C@@H]([NH2+]CC1=CN=C(C2CCC2)S1)C1=CC=CC(Cl)=C1	REAL300012065258	0	42	0.0	-33.71	364.35	10.20	-23.51
O=C([O-])C[C@@H]([NH2+]CC1=CN=C(C2CCCO2)S1)C1=CC=CC(Cl)=C1	REAL300012065259	0	43	0.0	-38.70	373.81	8.31	-30.39
CC1=CC=CC=C1N1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N=N1	REAL300012065260	1	45	0.0	-40.26	383.42	10.81	-29.45
CN1N=C(Br)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065261	0	36	0.0	-37.28	332.13	8.14	-29.14
CN1C=C(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)S2)C=N1	REAL300012065262	0	43	0.0	-39.89	383.72	10.76	-29.13
O=C([O-])C[C@@H]([NH2+]CC1=CC=C2OCCCCOC2=C1)C1=CC=CC(Cl)=C1	REAL300012065263	0	48	0.0	-38.43	388.85	10.97	-27.46
CCOC1=C(Cl)C=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065264	0	43	0.0	-31.60	371.43	10.71	-20.89
CCC1=CC=CC(F)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065265	0	42	0.0	-45.02	345.46	11.20	-33.82
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C1=CC=CC(Cl)=C1	REAL300012065266	0	36	0.0	-38.13	342.75	11.06	-27.07
O=C([O-])C[C@@H]([NH2+]CC1=NN(C(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012065267	1	36	0.0	-39.52	326.00	7.99	-31.53
COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065268	0	47	0.0	-49.15	391.78	10.20	-38.95
O=C([O-])C[C@@H]([NH2+]CC1=C(F)C=CC=C1OC(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012065269	1	40	0.0	-46.46	356.38	9.71	-36.75
O=C([O-])C[C@@H]([NH2+]CC1=CC=NN1C1=CC=C(F)C=C1)C1=CC=CC(Cl)=C1	REAL300012065270	0	43	0.0	-51.33	369.17	10.80	-40.53
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CN(C)N=C2)=C1	REAL300012065271	0	49	0.0	-35.77	401.68	11.83	-23.94
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CC=NN2C)=C1	REAL300012065272	0	49	0.0	-49.28	401.73	11.38	-37.90
CC(C)C1=CN=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065273	1	41	0.0	-31.92	357.90	9.38	-22.54
CC(C)(C)C1=CN=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065274	1	44	0.0	-31.76	376.10	9.87	-21.89
O=C([O-])C[C@@H]([NH2+]CC1=C(C2CC2)N=CS1)C1=CC=CC(Cl)=C1	REAL300012065275	0	39	0.0	-35.77	344.29	9.50	-26.27
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1)C1=CC=CC(Cl)=C1	REAL300012065276	0	42	0.0	-47.92	367.38	13.42	-34.50
COC(=O)C1=C(C)N(C)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065277	0	46	0.0	-51.79	384.47	10.33	-41.46
COCCCN1N=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065278	0	46	0.0	-38.26	387.57	8.37	-29.89
CC1=CC(F)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Cl)=C1	REAL300012065279	1	39	0.0	-44.62	347.19	10.94	-33.68
COCCOCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065280	0	50	0.0	-39.15	420.32	10.04	-29.11
CSCC1=CN=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065281	1	39	0.0	-50.78	357.85	8.97	-41.81
O=C([O-])C[C@@H]([NH2+]CC1=CSC=C1C(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012065282	0	36	0.0	-46.93	326.33	9.80	-37.13
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)SC2=C(Cl)C=CC=C12	REAL300012065283	0	42	0.0	-36.50	380.39	12.62	-23.88
CCN1N=C(C)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012065284	1	41	0.0	-39.89	348.92	7.66	-32.23
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(C2CC2)=C1)C1=CC=CC(Cl)=C1	REAL300012065285	0	43	0.0	-32.42	359.01	12.17	-20.25
CC1=NN(C)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065286	0	39	0.0	-36.33	332.36	8.23	-28.10
N#CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012065287	0	37	0.0	-47.94	336.53	10.51	-37.43
O=C([O-])C[C@@H]([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=CC(Cl)=C1	REAL300012065288	0	39	0.0	-45.03	349.40	9.18	-35.85
CC1=CC(F)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(F)=C1	REAL300012065289	1	39	0.0	-32.47	341.80	10.79	-21.68
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012065290	0	46	0.0	-49.71	390.35	10.27	-39.44
CC(C)CN1N=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065291	0	45	0.0	-36.02	371.54	10.09	-25.93
COC(=O)C1=C(C)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CN1	REAL300012065292	0	43	0.0	-38.23	365.95	9.05	-29.18
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065293	0	46	0.0	-42.20	391.13	11.97	-30.23
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065294	0	49	0.0	-39.53	410.38	12.50	-27.03
CC(C)(C#N)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065295	0	46	0.0	-38.88	386.39	12.03	-26.85
CC(C)C1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065296	0	45	0.0	-32.09	359.02	11.66	-20.43
O=C([O-])C[C@@H]([NH2+]CC1=NN2CCCCC2=C1)C1=CC=CC(Cl)=C1	REAL300012065297	1	43	0.0	-48.45	351.02	9.17	-39.28
O=C([O-])C[C@@H]([NH2+]CC1=CN=NN1C1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300012065298	0	42	0.0	-39.30	360.11	9.73	-29.57
O=C([O-])C[C@@H]([NH2+]CC1=CC2=CN=CC=C2O1)C1=CC=CC(Cl)=C1	REAL300012065299	0	38	0.0	-42.54	332.38	8.87	-33.67
COC1=CC(OC)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012065300	0	44	0.0	-37.62	373.69	8.80	-28.82
COC1=CC(F)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC	REAL300012065301	0	44	0.0	-40.87	372.91	9.33	-31.54
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Cl)=C1	REAL300012065302	0	39	0.0	-29.62	342.16	11.12	-18.50
CCC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065303	0	42	0.0	-35.12	352.66	11.51	-23.61
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065304	0	49	0.0	-54.75	406.40	12.28	-42.47
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(F)=C1	REAL300012065305	0	40	0.0	-32.49	344.73	9.38	-23.11
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC2=C1CCC2)C1=CC=CC(Cl)=C1	REAL300012065306	0	43	0.0	-34.56	354.05	11.91	-22.65
COC1=CC=CC(F)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065307	1	40	0.0	-45.28	339.89	9.22	-36.06
CCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300012065308	0	49	0.0	-49.82	394.05	11.47	-38.35
O=C([O-])C[C@@H]([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=CC(Cl)=C1	REAL300012065309	0	38	0.0	-54.61	338.54	9.59	-45.02
O=C([O-])C[C@@H]([NH2+]CC1=C2CCCN2N=C1)C1=CC=CC(Cl)=C1	REAL300012065310	0	40	0.0	-41.52	336.25	8.67	-32.85
CCC1=C2OC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC2=CC=C1	REAL300012065311	0	45	0.0	-40.09	380.55	12.04	-28.05
C=CCCN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N=N1	REAL300012065312	1	42	0.0	-45.67	362.30	8.74	-36.93
O=C([O-])C[C@@H]([NH2+]CC1=CC=NN1CC1CC1)C1=CC=CC(Cl)=C1	REAL300012065313	0	43	0.0	-34.77	364.09	10.11	-24.66
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(OC2CC2)=C1F)C1=CC=CC(Cl)=C1	REAL300012065314	0	44	0.0	-32.87	375.56	11.07	-21.80
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300012065315	0	46	0.0	-34.82	371.61	10.78	-24.04
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(F)=C1OC(F)F)C1=CC=CC(Cl)=C1	REAL300012065316	0	40	0.0	-51.87	350.81	9.54	-42.33
O=C([O-])C[C@@H]([NH2+]CC1=CC(F)=CC=C1OC(F)F)C1=CC=CC(Cl)=C1	REAL300012065317	0	40	0.0	-51.61	350.77	9.54	-42.07
COC1=NC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065318	0	39	0.0	-32.98	335.65	6.83	-26.15
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(C2CCCC2)=C1)C1=CC=CC(Cl)=C1	REAL300012065319	0	49	0.0	-34.83	394.00	13.27	-21.56
CN1C=C(C2=NN(C)C=C2C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012065320	0	46	0.0	-43.75	387.04	9.01	-34.74
COCC1=CSC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065321	0	40	0.0	-36.36	355.29	8.91	-27.45
O=C([O-])C[C@@H]([NH2+]CC1=CN(C2CCC2)N=N1)C1=CC=CC(Cl)=C1	REAL300012065322	1	42	0.0	-41.20	351.98	8.55	-32.65
O=C([O-])C[C@@H]([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=CC(Cl)=C1	REAL300012065323	0	36	0.0	-37.31	340.39	10.22	-27.09
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C(F)(F)F)O1)C1=CC=CC(Cl)=C1	REAL300012065324	0	36	0.0	-54.26	328.34	9.20	-45.06
O=C([O-])C[C@@H]([NH2+]CC1=C(C(F)(F)F)SC=C1)C1=CC=CC(Cl)=C1	REAL300012065325	0	36	0.0	-35.08	328.61	10.07	-25.01
CN(C)C1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=CC(F)=C1F	REAL300012065326	0	44	0.0	-33.84	370.51	10.10	-23.74
O=C([O-])C[C@@H]([NH2+]CC1=C(F)C=CC(F)=C1Cl)C1=CC=CC(Cl)=C1	REAL300012065327	1	36	0.0	-31.62	334.92	10.54	-21.08
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(OC2CCOC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012065328	0	48	0.0	-39.90	395.09	9.70	-30.20
CN(C)C1=CC(F)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012065329	0	44	0.0	-35.79	375.07	9.68	-26.11
COC(=O)C1=C2CCCCN2C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065330	0	50	0.0	-57.48	408.10	11.55	-45.93
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(F)C(F)=C1F)C1=CC=CC(Cl)=C1	REAL300012065331	0	36	0.0	-42.80	326.87	10.26	-32.54
COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(C(F)(F)F)=C1	REAL300012065332	0	43	0.0	-36.82	378.23	10.37	-26.45
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC1CC1	REAL300012065333	0	48	0.0	-50.92	396.42	10.70	-40.22
CCCN1N=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065334	0	42	0.0	-37.27	353.89	9.30	-27.97
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065335	0	39	0.0	-38.73	351.78	8.63	-30.10
COCC(C)OC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065336	0	50	0.0	-39.45	411.89	10.33	-29.12
CCCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065337	0	42	0.0	-32.68	364.86	11.54	-21.14
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1=CC=CC(Cl)=C1	REAL300012065338	0	43	0.0	-37.14	377.14	12.70	-24.44
O=C([O-])C[C@@H]([NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300012065339	0	49	0.0	-39.05	413.80	12.32	-26.73
CC(C)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065340	0	45	0.0	-49.41	366.64	11.76	-37.65
CN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Cl)=N1	REAL300012065341	1	36	0.0	-39.11	329.10	8.28	-30.83
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C(C)(C)C	REAL300012065342	0	52	0.0	-36.66	410.44	12.06	-24.60
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(CC2CCC2)=C1)C1=CC=CC(Cl)=C1	REAL300012065343	0	49	0.0	-34.75	400.82	13.59	-21.16
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=NC=C1Br	REAL300012065344	0	38	0.0	-39.85	344.59	9.44	-30.41
O=C([O-])C[C@@H]([NH2+]CC1=C(O)C=CC=C1Br)C1=CC=CC(Cl)=C1	REAL300012065345	0	37	0.0	-33.62	337.53	7.76	-25.86
CN1C=C(C2=NC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CS2)C=N1	REAL300012065346	1	42	0.0	-53.20	375.93	8.43	-44.77
COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1Cl	REAL300012065347	0	40	0.0	-39.91	355.30	9.93	-29.98
O=C([O-])C[C@@H]([NH2+]CC1=CC=NN1CC1CCC1)C1=CC=CC(Cl)=C1	REAL300012065348	0	46	0.0	-37.71	376.60	10.48	-27.23
O=C([O-])C[C@@H]([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C1=CC=CC(Cl)=C1	REAL300012065349	1	42	0.0	-57.07	365.74	9.73	-47.34
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC=C1CC(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012065350	0	42	0.0	-51.05	355.51	11.41	-39.64
CN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Br)=N1	REAL300012065351	1	36	0.0	-38.11	333.18	8.35	-29.76
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(F)=C1	REAL300012065352	0	39	0.0	-30.59	336.64	10.77	-19.82
CC(=O)NC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065353	0	43	0.0	-58.95	362.69	8.73	-50.22
CN1N=CC2=CC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CN=C21	REAL300012065354	0	41	0.0	-60.14	350.73	8.97	-51.17
O=C([O-])C[C@@H]([NH2+]CC1=NC=C(Br)C=C1F)C1=CC=CC(Cl)=C1	REAL300012065355	1	35	0.0	-33.81	331.42	8.86	-24.95
COC1=CC(Cl)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC	REAL300012065356	0	44	0.0	-38.26	380.33	9.75	-28.51
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012065357	0	42	0.0	-37.64	370.76	11.86	-25.78
CN1N=C2CCCCC2=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065358	0	46	0.0	-52.78	370.63	9.83	-42.95
CCOC(=O)C1=C(C)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C(C)N1	REAL300012065359	0	49	0.0	-43.15	410.10	10.48	-32.67
CC1=C(C)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CS1	REAL300012065360	0	39	0.0	-31.59	331.88	10.23	-21.36
O=C([O-])C[C@@H]([NH2+]CC1=CN=C(Cl)C(F)=C1)C1=CC=CC(Cl)=C1	REAL300012065361	0	35	0.0	-59.88	324.01	8.53	-51.35
O=C([O-])C[C@@H]([NH2+]CC1=C(Br)SC=C1)C1=CC=CC(Cl)=C1	REAL300012065362	1	33	0.0	-45.47	314.35	9.50	-35.97
CCOC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C(F)C=C1OC	REAL300012065363	0	47	0.0	-40.68	394.76	10.25	-30.43
COC1=NC=C(Br)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065364	0	39	0.0	-33.63	356.97	7.44	-26.19
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC=CC(Cl)=C1	REAL300012065365	0	42	0.0	-53.29	352.93	12.01	-41.28
O=C([O-])C[C@@H]([NH2+]CC1=CC=CN=C1Br)C1=CC=CC(Cl)=C1	REAL300012065366	1	35	0.0	-39.71	320.33	8.77	-30.94
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(F)=C1OC(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012065367	0	40	0.0	-32.45	360.93	10.00	-22.45
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065368	0	46	0.0	-33.19	384.07	11.06	-22.13
CCOC1=CC(F)=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065369	0	43	0.0	-35.52	367.43	10.36	-25.16
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012065370	0	50	0.0	-42.00	405.19	11.12	-30.88
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(OC(F)F)C=C1F)C1=CC=CC(Cl)=C1	REAL300012065371	0	40	0.0	-34.01	354.48	9.66	-24.35
CC(C)(C)OC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065372	0	49	0.0	-50.45	386.82	10.99	-39.46
CC1=C(Cl)C=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065373	0	39	0.0	-32.66	338.17	11.04	-21.62
COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C(F)C=C1C	REAL300012065374	0	43	0.0	-38.62	363.75	10.17	-28.45
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1Br	REAL300012065375	0	42	0.0	-32.20	357.06	11.61	-20.59
CC1=CC=NC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Br	REAL300012065376	1	38	0.0	-31.72	340.07	9.30	-22.42
CC(C)(C)C1=CSC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012065377	1	44	0.0	-48.08	372.00	9.55	-38.53
COCCC1=NC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065378	0	42	0.0	-35.49	371.63	7.87	-27.62
O=C([O-])C[C@@H]([NH2+]CC1=CC(F)=CC(F)=C1O)C1=CC=CC(Cl)=C1	REAL300012065379	1	37	0.0	-53.14	328.75	7.18	-45.96
CN1N=C2CCSCC2=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065380	0	44	0.0	-54.45	370.83	9.48	-44.97
CCN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CC=CC=C2)=N1	REAL300012065381	0	49	0.0	-40.59	402.88	12.06	-28.53
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=CC(Cl)=C1	REAL300012065382	0	44	0.0	-49.79	353.27	9.80	-39.99
COCC1=C(C)C=C(C)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1C	REAL300012065383	0	52	0.0	-31.44	406.83	11.15	-20.29
O=C([O-])C[C@@H]([NH2+]CC1=CC=C2OC(=O)OC2=C1)C1=CC=CC(Cl)=C1	REAL300012065384	0	38	0.0	-64.38	334.18	10.40	-53.98
CC1=C(Br)C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065385	0	36	0.0	-49.87	337.97	10.30	-39.57
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=CC(Cl)=C1	REAL300012065386	0	41	0.0	-38.81	341.98	10.21	-28.60
CCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C	REAL300012065387	0	49	0.0	-36.46	402.70	11.85	-24.61
O=C([O-])C[C@@H]([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=CC(Cl)=C1	REAL300012065388	0	40	0.0	-57.30	342.46	8.25	-49.05
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1CN1C=CC=N1	REAL300012065389	0	50	0.0	-41.81	421.99	11.07	-30.74
CCOC1=CC=CC(F)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065390	1	43	0.0	-33.29	365.10	10.38	-22.91
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=CC=C1[N+](=O)[O-]	REAL300012065391	0	41	0.0	-38.46	343.32	11.02	-27.44
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065392	0	44	0.0	-44.91	368.94	11.75	-33.16
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(F)=C1OC	REAL300012065393	0	44	0.0	-35.02	377.83	9.42	-25.60
COC(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(F)=C1	REAL300012065394	0	42	0.0	-36.73	370.01	10.75	-25.98
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)C1=CC=CC(Cl)=C1	REAL300012065395	0	46	0.0	-35.97	396.38	10.48	-25.49
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1)C1=CC=CC(Cl)=C1	REAL300012065396	0	50	0.0	-39.57	421.04	13.35	-26.22
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC=C1OCC(F)F)C1=CC=CC(Cl)=C1	REAL300012065397	0	43	0.0	-32.01	372.87	10.67	-21.34
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(Cl)C=N1)C1=CC=CC(Cl)=C1	REAL300012065398	0	35	0.0	-40.24	321.49	8.75	-31.49
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065399	0	52	0.0	-51.94	421.33	12.84	-39.10
CC1=CC(C#N)=CC(C)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065400	0	43	0.0	-39.61	364.53	11.48	-28.13
O=C([O-])C[C@@H]([NH2+]CC1=CN(CCF)N=C1)C1=CC=CC(Cl)=C1	REAL300012065401	0	39	0.0	-55.32	337.36	8.65	-46.67
CCCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065403	0	45	0.0	-34.99	374.16	12.30	-22.69
CC1=C2C=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=NC2=NN1	REAL300012065404	0	41	0.0	-47.52	352.73	8.59	-38.93
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065405	0	44	0.0	-58.67	383.41	6.46	-52.21
CN1N=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C2=CC=CC=C21	REAL300012065406	0	42	0.0	-50.15	356.37	9.76	-40.39
O=C([O-])C[C@@H]([NH2+]CC1=C2C=CC=CC2=NN1)C1=CC=CC(Cl)=C1	REAL300012065407	0	39	0.0	-42.95	336.65	8.69	-34.26
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065408	1	36	0.0	-38.66	343.21	9.37	-29.29
CCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065409	0	39	0.0	-32.73	343.39	10.76	-21.97
O=C([O-])C[C@@H]([NH2+]CC1=NC=CC2=CC=CC=C21)C1=CC=CC(Cl)=C1	REAL300012065410	0	41	0.0	-31.63	347.51	10.36	-21.27
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N2C=CC=CC2=N1	REAL300012065411	0	42	0.0	-49.66	352.99	10.80	-38.86
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065412	0	56	0.0	-35.02	431.42	12.31	-22.71
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CN[C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065412	1	56	0.0	-64.23	428.04	12.86	-51.37
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CN[C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065412	1	56	0.0	-64.09	429.87	13.01	-51.08
CCC1=NC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065413	0	38	0.0	-34.10	337.96	8.80	-25.30
COC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)SC=C1	REAL300012065414	0	37	0.0	-29.90	329.89	8.49	-21.41
O=C([O-])C[C@@H]([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CC=CC(Cl)=C1	REAL300012065415	0	42	0.0	-40.16	365.96	8.31	-31.85
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CC1=NN2C(=NC(C)=C2C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065417	0	41	0.0	-37.38	364.12	9.26	-28.12
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065418	0	47	0.0	-34.90	406.11	10.56	-24.34
CCCC(C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1)C1=CC=CC=C1	REAL300012065419	0	48	0.0	-50.17	385.00	12.49	-37.68
O=C([O-])C[C@@H]([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1=CC=CC(Cl)=C1	REAL300012065420	0	41	0.0	-32.35	363.50	11.02	-21.33
O=C([O-])C[C@@H]([NH2+]CC1CC2CCC1C2)C1=CC=CC(Cl)=C1	REAL300012065421	0	43	0.0	-30.77	331.96	10.58	-20.19
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(F)N=C1)C1=CC=CC(Cl)=C1	REAL300012065422	0	35	0.0	-58.56	307.68	8.00	-50.56
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CC=CC(Cl)=C1	REAL300012065423	0	36	0.0	-54.08	337.28	10.15	-43.93
O=C([O-])C[C@@H]([NH2+]CC1(C(F)F)CC1)C1=CC=CC(Cl)=C1	REAL300012065424	0	36	0.0	-45.02	305.85	9.50	-35.52
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065425	0	46	0.0	-34.40	391.42	12.72	-21.68
CC1=CN=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N1C	REAL300012065426	1	39	0.0	-50.83	326.73	8.68	-42.15
CC(C)C1CCC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300012065427	0	51	0.0	-34.46	379.83	11.89	-22.57
O=C([O-])C[C@@H]([NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21)C1=CC=CC(Cl)=C1	REAL300012065428	0	39	0.0	-39.73	369.67	11.42	-28.31
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065429	0	47	0.0	-38.50	396.47	11.46	-27.04
COCC1=CC=CC=C1C=C(C)C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065430	0	50	0.0	-38.46	408.94	11.69	-26.77
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065431	0	46	0.0	-49.64	379.31	10.69	-38.95
O=C([O-])C[C@@H]([NH2+]CC1=CON=C1CC1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300012065432	0	45	0.0	-52.05	380.49	11.50	-40.55
CCC1=NOC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065433	0	38	0.0	-49.88	323.77	8.59	-41.29
CN1N=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Cl	REAL300012065434	1	36	0.0	-33.20	328.30	8.20	-25.00
O=C([O-])C[C@@H]([NH2+]CC1=CC2=CC=CN=C2O1)C1=CC=CC(Cl)=C1	REAL300012065435	0	38	0.0	-46.13	332.42	7.56	-38.57
COC1=CC=C(N2C=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=N2)C=C1	REAL300012065436	0	47	0.0	-56.97	394.74	10.36	-46.61
CC1=CN=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065437	0	38	0.0	-52.02	316.50	8.68	-43.34
O=C([O-])C[C@@H]([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C1=CC=CC(Cl)=C1	REAL300012065438	0	38	0.0	-45.03	349.19	8.05	-36.98
O=C([O-])C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300012065439	0	43	0.0	-35.56	358.95	12.18	-23.38
O=C([O-])C[C@@H]([NH2+]CC1=CC=NC=C1Br)C1=CC=CC(Cl)=C1	REAL300012065440	1	35	0.0	-48.58	317.30	8.64	-39.94
CS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065441	0	39	0.0	-44.78	362.87	6.77	-38.01
O=C([O-])C[C@@H]([NH2+]CC1=CC=NN1C1=CC=CC=N1)C1=CC=CC(Cl)=C1	REAL300012065442	0	42	0.0	-46.52	358.59	10.52	-36.00
NS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(F)=C1	REAL300012065443	0	41	0.0	-41.09	369.42	5.05	-36.04
CC(C)N1C=CN=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065445	1	42	0.0	-40.03	350.60	9.90	-30.13
CC1=C(Br)C=NC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065446	0	38	0.0	-36.83	333.89	9.27	-27.56
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065447	0	39	0.0	-51.64	344.18	8.42	-43.22
CN1N=CC(C2CC2)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065448	0	43	0.0	-38.50	360.34	9.70	-28.80
CN1N=CC(C2CCC2)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065449	0	46	0.0	-38.29	376.02	10.20	-28.09
CC1=NC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N1C	REAL300012065450	0	39	0.0	-34.83	330.33	9.04	-25.79
CC1=C2C=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)NC2=CC=C1	REAL300012065451	0	43	0.0	-38.64	362.61	10.66	-27.98
O=C([O-])C[C@@H]([NH2+]CC1=CC=NN1C1=CC=NC=C1)C1=CC=CC(Cl)=C1	REAL300012065452	0	42	0.0	-39.33	361.02	9.24	-30.09
CC1=CC=C2C=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)NC2=C1	REAL300012065453	0	43	0.0	-35.49	363.03	10.68	-24.81
CC1=NC=CN=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065454	0	37	0.0	-34.32	316.74	6.88	-27.44
CCOC1=CN=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065455	0	42	0.0	-36.23	356.06	8.48	-27.75
O=C([O-])C[C@@H]([NH2+]CC1=CC=NC=C1Cl)C1=CC=CC(Cl)=C1	REAL300012065456	0	35	0.0	-49.41	313.67	8.54	-40.87
O=C([O-])C[C@@H]([NH2+]CC1=CC=NN1C1CCOCC1)C1=CC=CC(Cl)=C1	REAL300012065457	0	47	0.0	-37.97	385.41	8.69	-29.28
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC2=NNC=C21)C1=CC=CC(Cl)=C1	REAL300012065458	0	39	0.0	-57.18	332.48	8.52	-48.66
CCC(F)(F)C(C)(C)C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065459	0	44	0.0	-34.35	349.30	10.45	-23.90
O=C([O-])C[C@@H]([NH2+]CC1=CC=NC(F)=C1)C1=CC=CC(Cl)=C1	REAL300012065460	0	35	0.0	-58.51	307.72	8.02	-50.49
O=C([O-])C[C@@H]([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=CC(Cl)=C1	REAL300012065461	0	40	0.0	-35.80	341.03	10.09	-25.71
O=C([O-])C[C@@H]([NH2+]CC1=CC2=C(C=CNC2=O)O1)C1=CC=CC(Cl)=C1	REAL300012065462	0	39	0.0	-44.43	342.38	7.56	-36.87
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=CC(Cl)=C1	REAL300012065463	0	38	0.0	-57.37	334.43	8.96	-48.41
CN(C)C1=CC=C(C#N)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065464	0	45	0.0	-37.54	381.99	10.47	-27.07
O=C([O-])C[C@@H]([NH2+]CC1=CN(CC2CCOC2)N=N1)C1=CC=CC(Cl)=C1	REAL300012065465	1	46	0.0	-49.94	381.99	7.54	-42.40
COC1=CN=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1C	REAL300012065466	0	42	0.0	-35.12	344.53	8.07	-27.05
CC1=CC(C)=C(C=CC[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300012065467	0	49	0.0	-47.79	396.45	12.93	-34.86
O=C([O-])C[C@@H]([NH2+]CC1=CN(CC2CCCO2)N=N1)C1=CC=CC(Cl)=C1	REAL300012065468	1	46	0.0	-42.87	384.80	7.67	-35.20
CCCN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N=N1	REAL300012065469	1	41	0.0	-46.13	349.49	8.19	-37.94
CN(C)C1=CC=C(F)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065470	0	44	0.0	-33.13	368.24	10.14	-22.99
O=C([O-])C[C@@H]([NH2+]CC1=CN(C2CC2)C=N1)C1=CC=CC(Cl)=C1	REAL300012065471	1	40	0.0	-39.72	341.14	10.73	-28.99
O=C([O-])C[C@@H]([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=CC(Cl)=C1	REAL300012065472	0	41	0.0	-48.35	357.19	10.52	-37.83
CC1=CC(C)=C(C=CC[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C	REAL300012065473	0	49	0.0	-36.14	396.68	13.10	-23.04
CC1=NSC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065474	0	35	0.0	-53.43	312.97	8.25	-45.18
NS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065475	0	41	0.0	-46.38	363.95	5.04	-41.34
CCN1N=CN=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065476	1	38	0.0	-41.87	321.82	9.20	-32.67
O=C([O-])C[C@@H]([NH2+]CC1=CN=C(C2CC2)O1)C1=CC=CC(Cl)=C1	REAL300012065477	1	39	0.0	-39.18	338.49	7.39	-31.79
CCC1=CNC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012065478	1	39	0.0	-51.86	329.19	7.91	-43.95
O=C([O-])C[C@@H]([NH2+]CC1=NC=CC2=C1CCCC2)C1=CC=CC(Cl)=C1	REAL300012065479	0	45	0.0	-29.85	362.14	10.61	-19.24
CC1=NN(C)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Cl	REAL300012065480	1	39	0.0	-46.59	345.58	8.47	-38.12
CN1C=CC(C2=NC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CS2)=N1	REAL300012065481	1	42	0.0	-54.59	376.04	8.31	-46.28
CN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2CCCC2)=N1	REAL300012065482	0	49	0.0	-34.79	396.64	10.92	-23.87
CC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Br	REAL300012065483	0	39	0.0	-28.99	340.08	11.09	-17.90
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1)C1=CC=CC(Cl)=C1	REAL300012065484	0	47	0.0	-38.31	405.18	13.01	-25.30
O=C([O-])C[C@@H]([NH2+]CC1=CC=C2OCCCC2=C1)C1=CC=CC(Cl)=C1	REAL300012065485	0	44	0.0	-38.18	363.47	10.71	-27.47
CN(C)C(=O)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065486	0	46	0.0	-56.81	377.66	9.61	-47.20
CCC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(Cl)=NN1	REAL300012065487	1	39	0.0	-50.63	344.52	7.97	-42.66
O=C([O-])C[C@@H]([NH2+]CC1=C(C2CC2)NN=C1Cl)C1=CC=CC(Cl)=C1	REAL300012065488	1	40	0.0	-31.87	356.13	9.02	-22.85
CCC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=NO1	REAL300012065489	0	41	0.0	-36.20	349.50	9.69	-26.51
CCN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N=N1	REAL300012065490	1	38	0.0	-46.48	327.98	7.42	-39.06
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C2CCCCC2=N1	REAL300012065491	0	48	0.0	-38.12	381.49	11.23	-26.89
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC=C1N1CCCCC1)C1=CC=CC(Cl)=C1	REAL300012065492	0	51	0.0	-45.80	399.93	11.88	-33.92
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012065493	0	40	0.0	-51.27	342.03	9.35	-41.92
CCN1C=NC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065495	1	39	0.0	-36.45	333.64	10.25	-26.20
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CN=C1F	REAL300012065496	0	38	0.0	-40.61	331.41	8.86	-31.75
CC1=CC(F)=NC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065497	0	38	0.0	-38.08	322.44	8.69	-29.39
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C(F)F)C(F)=C1)C1=CC=CC(Cl)=C1	REAL300012065498	0	39	0.0	-46.98	349.20	11.05	-35.93
COC(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C	REAL300012065499	0	45	0.0	-41.05	380.65	11.31	-29.74
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300012065500	0	43	0.0	-50.26	350.70	9.74	-40.52
CC1=C(Cl)C=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Cl	REAL300012065501	0	39	0.0	-31.02	354.14	11.52	-19.50
N#CC1=CC=C(Br)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065502	0	37	0.0	-37.78	346.04	11.04	-26.74
CC1CC2=CC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC=C2O1	REAL300012065503	0	44	0.0	-37.74	366.64	10.68	-27.06
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC2=C1OC(=O)N2)C1=CC=CC(Cl)=C1	REAL300012065504	0	39	0.0	-51.23	338.18	7.33	-43.90
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC2=C1OCC2)C1=CC=CC(Cl)=C1	REAL300012065505	0	41	0.0	-30.46	345.41	9.90	-20.56
CSCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065506	0	43	0.0	-36.67	375.89	11.97	-24.70
O=C([O-])C[C@@H]([NH2+]CC1=CN(CC2CCC2)N=C1)C1=CC=CC(Cl)=C1	REAL300012065507	0	46	0.0	-53.30	378.66	10.59	-42.71
CN1N=C2CCOCC2=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065508	0	44	0.0	-41.25	364.90	7.67	-33.58
CN1N=C2CCCC2=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065509	0	43	0.0	-36.23	356.20	9.54	-26.69
O=C([O-])C[C@@H]([NH2+]CC1=CC=NN1C1CCC1)C1=CC=CC(Cl)=C1	REAL300012065510	0	43	0.0	-52.16	355.20	9.61	-42.55
O=C([O-])C[C@@H]([NH2+]CC1=CN(C2CCC2)N=C1)C1=CC=CC(Cl)=C1	REAL300012065511	0	43	0.0	-40.28	357.93	9.86	-30.42
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065512	0	49	0.0	-31.21	411.61	11.62	-19.59
COC(=O)COC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065513	0	46	0.0	-31.11	389.84	10.88	-20.23
COC1=CC=C(C)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065514	0	43	0.0	-33.05	349.76	9.84	-23.21
CN1C=NC2=CC=CC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=C21	REAL300012065515	0	42	0.0	-53.35	344.79	11.07	-42.28
CCC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065516	0	42	0.0	-47.33	339.82	11.12	-36.21
CN(C)C(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065517	0	46	0.0	-42.86	380.67	9.91	-32.95
CC1=CC(F)=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065518	0	39	0.0	-33.84	337.48	10.80	-23.04
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1C	REAL300012065519	0	45	0.0	-30.88	355.00	11.65	-19.23
CCNC(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065520	0	46	0.0	-41.90	387.73	9.20	-32.70
CC(C)(C)C1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065521	0	48	0.0	-42.64	360.62	12.23	-30.41
O=C([O-])C[C@@H]([NH2+]CC1=CN=C2CCCCCN12)C1=CC=CC(Cl)=C1	REAL300012065522	0	46	0.0	-52.06	362.49	10.24	-41.82
COC1=CC=C2SC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC2=C1	REAL300012065523	0	43	0.0	-51.96	373.36	10.66	-41.30
O=C([O-])C[C@@H]([NH2+]CC1=CON=C1C1CC1)C1=CC=CC(Cl)=C1	REAL300012065524	0	39	0.0	-38.97	337.30	9.66	-29.31
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065525	0	52	0.0	-42.53	421.35	11.76	-30.77
CCN1CCC2=CC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC=C21	REAL300012065526	0	48	0.0	-51.31	385.72	10.47	-40.84
CCN(C)C(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065527	0	49	0.0	-42.71	402.48	10.92	-31.79
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=NN1C(C)C	REAL300012065528	0	45	0.0	-36.34	372.68	9.86	-26.48
CSC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1Cl	REAL300012065529	0	40	0.0	-41.49	365.00	11.54	-29.95
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1C1CC1	REAL300012065530	0	46	0.0	-35.29	376.80	12.70	-22.59
CCOC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=N1	REAL300012065531	0	42	0.0	-37.76	358.71	7.73	-30.03
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1C1CC1	REAL300012065532	0	46	0.0	-35.30	376.21	12.70	-22.60
CC1=NN(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C(C)=C2)C=C1	REAL300012065533	0	49	0.0	-55.75	401.51	12.22	-43.53
COC(=O)C1=CC2=C(C=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)O2)N1	REAL300012065534	0	43	0.0	-45.82	378.36	8.87	-36.95
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012065535	0	37	0.0	-38.72	323.53	8.66	-30.06
COCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012065536	0	44	0.0	-53.52	375.66	8.59	-44.93
CC1=NN(C(C)C)C(C)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065537	0	48	0.0	-39.47	392.18	10.36	-29.11
O=C([O-])C[C@@H]([NH2+]CC1=NN(CCF)C=C1)C1=CC=CC(Cl)=C1	REAL300012065538	1	39	0.0	-39.62	340.76	8.79	-30.83
CCN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=N1	REAL300012065539	0	42	0.0	-35.18	352.05	9.26	-25.92
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300012065540	0	52	0.0	-39.56	417.04	14.34	-25.22
CN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2CC2)=N1	REAL300012065541	0	43	0.0	-37.41	364.91	10.02	-27.39
COC(=O)C1=C2COCCN2C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065542	0	48	0.0	-39.77	403.27	9.43	-30.34
CN1N=C(C2CC2)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065543	0	43	0.0	-53.86	358.75	9.49	-44.37
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065544	0	46	0.0	-56.42	377.15	12.82	-43.60
CC(C)C1=NOC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065545	0	41	0.0	-55.02	344.73	9.11	-45.91
O=C([O-])C[C@@H]([NH2+]CC1=CNN=C1C1=CC=C(Cl)O1)C1=CC=CC(Cl)=C1	REAL300012065546	0	40	0.0	-31.80	361.73	8.76	-23.04
O=C([O-])C[C@@H]([NH2+]CC1=CN=C(C2CCOCC2)O1)C1=CC=CC(Cl)=C1	REAL300012065547	1	46	0.0	-53.89	378.70	6.26	-47.63
COC1=NC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1F	REAL300012065548	1	39	0.0	-35.33	342.44	6.83	-28.50
O=C([O-])C[C@@H]([NH2+]CC1=CN2C=CN=C2S1)C1=CC=CC(Cl)=C1	REAL300012065549	0	36	0.0	-46.61	327.15	10.04	-36.57
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C(C(C)(C)C)O1	REAL300012065550	0	48	0.0	-36.21	393.77	11.62	-24.59
CC1=C(C)SC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012065551	1	38	0.0	-32.35	335.25	8.53	-23.82
O=C([O-])C[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=N1)C1=CC=CC(Cl)=C1	REAL300012065552	1	45	0.0	-48.17	387.92	10.42	-37.75
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)CC1	REAL300012065553	0	56	0.0	-38.85	433.73	11.11	-27.74
CC1=CC(Br)=CN=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065554	0	38	0.0	-38.76	343.13	9.38	-29.38
CC1OC2=CC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2C1C	REAL300012065555	0	47	0.0	-53.25	379.81	10.95	-42.30
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OC(F)F	REAL300012065556	0	43	0.0	-34.72	369.10	10.40	-24.32
CC(C)CC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065557	0	48	0.0	-31.04	376.78	12.41	-18.63
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)NN=C1C(F)(F)F	REAL300012065559	0	39	0.0	-39.10	345.74	7.96	-31.14
CC(C)CN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N=N1	REAL300012065560	1	44	0.0	-45.90	369.28	8.94	-36.96
O=C([O-])C[C@@H]([NH2+]CC1=NC(C2CC2)=CS1)C1=CC=CC(Cl)=C1	REAL300012065561	1	39	0.0	-48.69	342.25	9.06	-39.63
O=C([O-])C[C@@H]([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=CC(Cl)=C1	REAL300012065562	0	36	0.0	-58.93	327.48	7.18	-51.75
O=C([O-])C[C@@H]([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=CC(Cl)=C1	REAL300012065563	0	41	0.0	-34.12	345.52	9.90	-24.22
CSC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065566	0	40	0.0	-50.97	346.64	10.86	-40.11
CC(C)C1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)N(C)N=C1	REAL300012065567	0	45	0.0	-52.09	368.58	9.31	-42.78
CC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(C)=N1	REAL300012065568	0	41	0.0	-54.16	344.53	9.26	-44.90
CN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CC=CC(F)=C2)=N1	REAL300012065569	0	46	0.0	-41.14	388.62	11.27	-29.87
CCCN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=N1	REAL300012065570	0	45	0.0	-34.92	373.55	10.02	-24.90
CCN1C=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012065571	1	39	0.0	-38.60	334.17	8.66	-29.94
O=C([O-])C[C@@H]([NH2+]CC1=CC2=NC=CC=C2O1)C1=CC=CC(Cl)=C1	REAL300012065572	0	38	0.0	-41.41	332.40	8.80	-32.61
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(CC2CC2)S1)C1=CC=CC(Cl)=C1	REAL300012065574	0	43	0.0	-35.50	374.97	12.33	-23.17
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012065575	0	44	0.0	-36.52	370.34	11.07	-25.45
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C1=CC=CC(Cl)=C1	REAL300012065576	0	40	0.0	-32.84	361.22	9.88	-22.96
CC1=NC=CN1C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1	REAL300012065577	0	49	0.0	-40.59	399.97	13.01	-27.58
CC1=C(C)N(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2)C=N1	REAL300012065578	0	49	0.0	-43.37	410.60	13.82	-29.55
CNC(=O)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065579	0	43	0.0	-56.86	362.90	8.11	-48.75
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CC=CC(Cl)=C1	REAL300012065580	0	50	0.0	-35.16	404.73	14.10	-21.06
CCNC(=O)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065582	0	46	0.0	-56.43	384.38	8.96	-47.47
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)OC2=CC=C(F)C=C12	REAL300012065583	0	42	0.0	-39.72	364.02	11.28	-28.44
O=C([O-])C[C@@H]([NH2+]CC1=CC(C2CCC2)=NN1)C1=CC=CC(Cl)=C1	REAL300012065584	0	43	0.0	-38.62	356.88	8.99	-29.63
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065585	0	46	0.0	-38.42	389.87	11.20	-27.22
CCCN1C=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012065586	1	42	0.0	-38.46	355.67	9.42	-29.04
CC(C)N1C=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012065587	1	42	0.0	-38.17	352.84	9.16	-29.01
CC(C)(C)C1=CN=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065588	0	47	0.0	-34.13	381.17	10.57	-23.56
O=C([O-])C[C@@H]([NH2+]CC1=NN(CC(F)(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012065589	1	39	0.0	-43.02	352.05	9.15	-33.87
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C1=CC=CC(Cl)=C1	REAL300012065590	0	46	0.0	-31.72	377.94	11.88	-19.84
CN1C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=NC2=C1CCCC2	REAL300012065591	1	46	0.0	-42.17	373.15	10.76	-31.41
COC1=NC(Cl)=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065592	0	39	0.0	-52.14	349.07	7.03	-45.11
CN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C(F)(F)F)=N1	REAL300012065593	0	39	0.0	-54.49	343.34	8.59	-45.90
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=CC(Cl)=C1	REAL300012065594	0	39	0.0	-51.56	342.26	10.71	-40.85
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=CC(Cl)=C1	REAL300012065595	0	44	0.0	-32.63	355.18	10.02	-22.61
CCOC1=CC=C(Cl)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065596	0	43	0.0	-47.48	373.20	10.63	-36.85
COC1=NN(C)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065597	1	40	0.0	-34.31	345.38	5.80	-28.51
O=C([O-])C[C@@H]([NH2+]CC1=NC2=C(COCC2)S1)C1=CC=CC(Cl)=C1	REAL300012065598	1	40	0.0	-33.08	349.21	7.41	-25.67
O=C([O-])C[C@@H]([NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)C1=CC=CC(Cl)=C1	REAL300012065599	0	43	0.0	-39.61	364.80	9.96	-29.65
O=C([O-])C[C@@H]([NH2+]CC1=CC2=C(CCCC2)O1)C1=CC=CC(Cl)=C1	REAL300012065600	0	43	0.0	-49.21	350.70	10.67	-38.54
O=C([O-])C[C@@H]([NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1)C1=CC=CC(Cl)=C1	REAL300012065601	0	38	0.0	-43.42	344.29	10.80	-32.62
O=C([O-])C[C@@H]([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC=CC(Cl)=C1	REAL300012065602	0	49	0.0	-39.76	394.42	11.13	-28.63
O=C([O-])C[C@@H]([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1)C1=CC=CC(Cl)=C1	REAL300012065603	1	43	0.0	-34.73	383.50	11.54	-23.19
CN(CCO)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012065604	0	47	0.0	-53.66	386.00	7.41	-46.25
COC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=CC=C1C(C)(C)C	REAL300012065605	0	52	0.0	-28.85	400.57	11.81	-17.04
CN1C=C(Br)N=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065606	1	36	0.0	-53.39	327.78	8.69	-44.70
COC1=CC(C)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012065607	0	42	0.0	-35.58	347.74	7.23	-28.35
COC1=CC(C)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1O	REAL300012065608	0	44	0.0	-37.09	364.26	7.71	-29.38
O=C([O-])C[C@@H]([NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C1=CC=CC(Cl)=C1	REAL300012065609	0	42	0.0	-45.07	366.54	9.20	-35.87
CN1C(=O)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC2=CC=CC=C21	REAL300012065610	0	45	0.0	-47.87	377.11	10.88	-36.99
COC1=NC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1C	REAL300012065611	0	42	0.0	-40.22	357.07	7.46	-32.76
CCCN1C=NC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065612	0	42	0.0	-49.40	344.66	10.72	-38.68
O=C([O-])C[C@@H]([NH2+]CC1=CC=CNC1=O)C1=CC=CC(Cl)=C1	REAL300012065613	0	36	0.0	-53.31	310.03	6.75	-46.56
O=C([O-])C[C@@H]([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=CC(Cl)=C1	REAL300012065614	0	43	0.0	-40.65	366.88	10.03	-30.62
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012065615	0	49	0.0	-34.89	400.88	13.59	-21.30
CCC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=NN1CC	REAL300012065616	0	45	0.0	-34.55	368.60	9.96	-24.59
O=C([O-])C[C@@H]([NH2+]CC1=C(F)C=CC(Cl)=C1F)C1=CC=CC(Cl)=C1	REAL300012065617	1	36	0.0	-32.66	336.53	10.62	-22.04
O=C([O-])C[C@@H]([NH2+]CC1=CC(C2CC2)=NN1)C1=CC=CC(Cl)=C1	REAL300012065618	0	40	0.0	-37.23	341.41	8.54	-28.69
O=C([O-])C[C@@H]([NH2+]CC1=CC=NN1C1CC1(F)F)C1=CC=CC(Cl)=C1	REAL300012065619	0	40	0.0	-40.51	353.48	9.62	-30.89
COC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=CS1	REAL300012065620	0	37	0.0	-46.64	327.96	8.26	-38.38
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C(F)(F)F)=CO1	REAL300012065621	0	39	0.0	-48.74	345.82	9.61	-39.13
CC(F)(F)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065622	0	42	0.0	-52.42	359.63	11.37	-41.05
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1=CC=CC(Cl)=C1	REAL300012065623	0	42	0.0	-55.23	369.35	10.62	-44.61
CN1C=C(C2=NNC=C2C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300012065624	0	43	0.0	-49.88	363.54	7.67	-42.21
CCCN1N=C(C)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Cl	REAL300012065625	1	45	0.0	-33.14	391.18	10.33	-22.81
CC(C)(C#N)C1=NC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)S1	REAL300012065626	0	42	0.0	-54.12	373.09	9.18	-44.94
O=C([O-])C[C@@H]([NH2+]CC1=CC(F)=CC(F)=C1F)C1=CC=CC(Cl)=C1	REAL300012065627	1	36	0.0	-38.00	326.84	10.25	-27.75
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1=CC=CC(Cl)=C1	REAL300012065628	0	43	0.0	-37.17	375.34	12.50	-24.67
CC(C)(C)C1=NNC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065629	0	45	0.0	-36.32	371.76	8.92	-27.40
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C1=CC=CC(Cl)=C1	REAL300012065630	0	42	0.0	-51.77	364.06	12.48	-39.29
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC=C1OC1CCCCC1)C1=CC=CC(Cl)=C1	REAL300012065631	0	53	0.0	-45.91	415.99	12.67	-33.24
C=CCC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065632	0	43	0.0	-32.03	352.77	11.79	-20.24
CCN1CCCC2=CC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=CC=C21	REAL300012065633	0	51	0.0	-34.96	398.59	11.08	-23.88
COCC1=CN=C(OC)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065634	0	46	0.0	-35.21	389.63	6.60	-28.61
CN1N=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Br	REAL300012065635	1	36	0.0	-32.81	332.43	8.28	-24.53
O=C([O-])C[C@@H]([NH2+]CC=CC1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300012065636	0	40	0.0	-36.03	340.81	11.38	-24.65
O=C([O-])C[C@@H]([NH2+]CC1=CN=NN1C1CC1)C1=CC=CC(Cl)=C1	REAL300012065637	0	39	0.0	-40.28	336.25	8.09	-32.19
COCC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065638	0	43	0.0	-34.88	353.94	9.84	-25.04
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1=CC=CC(Cl)=C1	REAL300012065639	0	40	0.0	-54.23	362.82	11.30	-42.93
O=C([O-])C[C@@H]([NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C1=CC=CC(Cl)=C1	REAL300012065640	0	49	0.0	-53.90	399.62	10.51	-43.39
O=C([O-])C[C@@H]([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=CC(Cl)=C1	REAL300012065641	0	44	0.0	-37.17	363.48	10.17	-27.00
O=C([O-])C[C@@H]([NH2+]CC1=CN(CCO)N=C1)C1=CC=CC(Cl)=C1	REAL300012065642	0	40	0.0	-55.40	342.19	5.16	-50.24
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)SC2=CC(F)=CC=C12	REAL300012065643	0	42	0.0	-35.95	370.44	12.20	-23.75
O=C([O-])C[C@@H]([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=CC=CC(Cl)=C1	REAL300012065644	0	42	0.0	-40.74	364.39	8.24	-32.50
COC1=CC=C(F)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1OC	REAL300012065645	1	44	0.0	-33.25	374.10	9.36	-23.89
O=C([O-])C[C@@H]([NH2+]CC=CC1=CC=NC=C1)C1=CC=CC(Cl)=C1	REAL300012065646	0	39	0.0	-39.67	335.83	9.61	-30.06
CN1C=CC(C2=NNC=C2C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012065647	0	43	0.0	-34.26	365.22	7.88	-26.38
C=CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1	REAL300012065648	0	40	0.0	-35.90	340.89	11.17	-24.73
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(OCC2CCC2)=C1)C1=CC=CC(Cl)=C1	REAL300012065649	0	50	0.0	-34.45	409.37	12.43	-22.02
CC(F)(F)C1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065650	0	42	0.0	-45.70	346.45	11.23	-34.47
COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC=C1OCCO	REAL300012065651	0	48	0.0	-43.94	401.75	7.11	-36.83
CCN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2CC2)=N1	REAL300012065652	0	46	0.0	-52.42	382.71	10.68	-41.74
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1OCCO	REAL300012065653	0	48	0.0	-43.08	401.75	7.11	-35.97
CN1C=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2=CC=NN2C)=N1	REAL300012065654	0	46	0.0	-35.51	390.04	8.99	-26.52
CC(C)(C)C1=NOC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065655	0	44	0.0	-52.23	351.31	9.66	-42.57
O=C([O-])C[C@@H]([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=CC(Cl)=C1	REAL300012065656	0	41	0.0	-40.81	350.77	10.56	-30.25
CC1=CC2=CC=CC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=C2O1	REAL300012065657	0	42	0.0	-31.86	359.00	11.23	-20.63
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(F)=C1C(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012065658	0	39	0.0	-38.26	339.35	10.96	-27.30
COC1=CSC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1OC	REAL300012065659	0	41	0.0	-32.18	362.53	8.12	-24.06
O=C([O-])C[C@@H]([NH2+]CC1=CON=C1C1CCC1)C1=CC=CC(Cl)=C1	REAL300012065660	0	42	0.0	-36.36	353.79	10.12	-26.24
CS(=O)(=O)C1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)SC=C1	REAL300012065661	1	39	0.0	-52.40	348.32	6.59	-45.81
CS(=O)(=O)C1=COC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065662	1	39	0.0	-59.11	350.24	5.43	-53.68
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C1=CC=CC(Cl)=C1	REAL300012065663	0	39	0.0	-33.98	353.97	11.10	-22.88
CC(C)OC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=C1F	REAL300012065664	0	46	0.0	-43.24	385.16	10.98	-32.26
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(F)C(Cl)=C1F)C1=CC=CC(Cl)=C1	REAL300012065666	0	36	0.0	-40.99	336.32	10.68	-30.31
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(C(F)F)=C1)C1=CC=CC(Cl)=C1	REAL300012065667	0	39	0.0	-52.33	338.60	10.70	-41.63
O=C([O-])C[C@@H]([NH2+]CC1=C(F)C2=CC=CC=C2C=C1)C1=CC=CC(Cl)=C1	REAL300012065668	0	42	0.0	-32.02	360.46	12.33	-19.69
CS(=O)(=O)C1=CSC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065669	0	39	0.0	-57.20	358.65	6.45	-50.75
O=C([O-])C[C@@H]([NH2+]CC1=CSC(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300012065670	0	33	0.0	-38.29	316.79	9.64	-28.65
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C=NN1C1CCC1	REAL300012065671	0	46	0.0	-51.95	374.05	10.31	-41.64
O=C([O-])C[C@@H]([NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1)C1=CC=CC(Cl)=C1	REAL300012065672	0	43	0.0	-55.19	381.98	11.57	-43.62
CC1=NN(C2CCCC2)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065673	0	49	0.0	-36.67	397.85	11.15	-25.52
O=C([O-])C[C@@H]([NH2+]CC1=CC=NN1CC(F)F)C1=CC=CC(Cl)=C1	REAL300012065674	0	39	0.0	-42.18	345.53	8.82	-33.36
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065675	0	46	0.0	-39.64	389.55	10.73	-28.91
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F)C1=CC=CC(Cl)=C1	REAL300012065676	0	39	0.0	-37.19	347.47	11.35	-25.84
O=C([O-])C[C@@H]([NH2+]CC1=C(F)C=CN=C1Cl)C1=CC=CC(Cl)=C1	REAL300012065677	1	35	0.0	-47.54	320.94	8.44	-39.10
O=C([O-])C[C@@H]([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C1=CC=CC(Cl)=C1	REAL300012065678	0	43	0.0	-55.68	371.66	11.12	-44.56
CN(C)C1=CN=CC(F)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065679	1	43	0.0	-46.83	360.25	7.94	-38.89
COC1=NC(C)=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C)=C1Cl	REAL300012065680	0	45	0.0	-38.52	380.01	8.15	-30.37
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065681	1	45	0.0	-42.26	384.69	10.40	-31.86
O=C([O-])C[C@@H]([NH2+]CC1=NN(C2CCC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012065682	1	43	0.0	-38.34	355.88	9.66	-28.68
O=C([O-])C[C@@H]([NH2+]CC1=NN(CC(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012065683	1	39	0.0	-42.86	346.02	8.98	-33.88
O=C([O-])C[C@@H]([NH2+]CC1=NN(C2CC2(F)F)C=C1)C1=CC=CC(Cl)=C1	REAL300012065684	1	40	0.0	-43.48	355.69	9.52	-33.96
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065685	0	52	0.0	-51.38	410.71	11.46	-39.92
O=C([O-])C[C@@H]([NH2+]CC1=CN(C2CCOCC2)N=C1)C1=CC=CC(Cl)=C1	REAL300012065686	0	47	0.0	-53.85	381.85	8.50	-45.35
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065687	0	50	0.0	-34.74	403.12	9.24	-25.50
CC1=CN(C)C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300012065688	1	39	0.0	-50.74	328.00	8.80	-41.94
O=C([O-])C[C@@H]([NH2+]CC1=NN(C2CCCC2)C=C1)C1=CC=CC(Cl)=C1	REAL300012065689	1	46	0.0	-37.65	374.02	10.36	-27.29
NS(=O)(=O)C1=CSC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065690	0	38	0.0	-42.48	355.52	4.09	-38.39
O=C([O-])C[C@@H]([NH2+]CC1=NC=C(Cl)C=C1Cl)C1=CC=CC(Cl)=C1	REAL300012065691	1	35	0.0	-32.47	335.59	9.17	-23.30
CC1=NSC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065692	0	35	0.0	-35.28	307.32	8.14	-27.14
CC1=NN(C2CCCC2)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065693	0	49	0.0	-51.43	391.73	10.86	-40.57
O=C([O-])C[C@@H]([NH2+]CC1=CC=CC=C1C(F)F)C1=CC=CC(Cl)=C1	REAL300012065694	0	39	0.0	-48.21	329.70	10.70	-37.51
COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1Br	REAL300012065695	0	40	0.0	-30.37	350.21	9.84	-20.53
O=C([O-])C[C@@H]([NH2+]CC1=CC2=CNN=C2C=C1)C1=CC=CC(Cl)=C1	REAL300012065696	0	39	0.0	-41.14	336.03	8.79	-32.35
O=C([O-])C[C@@H]([NH2+]CC1=CC=C(Cl)C(F)=C1F)C1=CC=CC(Cl)=C1	REAL300012065697	0	36	0.0	-41.56	336.76	10.70	-30.86
CC1=C(F)C=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065698	0	39	0.0	-33.31	329.42	10.63	-22.68
CN1C=C(C2=CC=CC(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)=C2)C=N1	REAL300012065699	0	46	0.0	-54.92	386.54	11.13	-43.79
O=C([O-])C[C@@H]([NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)C1=CC=CC(Cl)=C1	REAL300012065700	0	46	0.0	-62.52	393.18	12.24	-50.28
CC1=CC=C(Br)C=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065701	0	39	0.0	-32.89	341.58	11.17	-21.72
COC1=C(C#N)C=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065702	0	41	0.0	-36.88	359.55	9.87	-27.01
COC1=NC2=CC=C(C[NH2+][C@H](CC(=O)[O-])C3=CC=CC(Cl)=C3)C=C2S1	REAL300012065703	0	42	0.0	-40.63	374.18	7.90	-32.73
O=C([O-])C[C@@H]([NH2+]CC1=CC=NC(Br)=C1)C1=CC=CC(Cl)=C1	REAL300012065704	0	35	0.0	-56.97	322.76	8.57	-48.40
O=C([O-])C[C@@H]([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C1=CC=CC(Cl)=C1	REAL300012065705	0	36	0.0	-34.53	343.14	11.07	-23.46
CC1=NC(Cl)=CC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065706	0	38	0.0	-36.09	332.65	9.12	-26.97
CC(C)(C)COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065707	0	52	0.0	-34.24	421.56	12.41	-21.83
COC1=CC(Cl)=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065708	0	40	0.0	-35.04	355.90	9.87	-25.17
COC1=CC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(F)=C1F	REAL300012065709	0	40	0.0	-40.40	351.68	9.49	-30.91
COC1=CC(C)=NC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065710	0	42	0.0	-32.89	354.96	8.26	-24.63
CC(C)N1C=NC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1	REAL300012065711	1	42	0.0	-39.39	353.27	10.65	-28.74
CN1N=CC=C1C1=NNC=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065712	0	43	0.0	-36.22	370.85	7.68	-28.54
CC1=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(C2CC2)=NO1	REAL300012065713	0	42	0.0	-40.21	359.02	10.47	-29.74
COC(=O)C1=C(C)NC(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=C1C	REAL300012065714	0	46	0.0	-57.54	389.10	9.58	-47.96
CC(C)OC1=CC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012065715	0	43	0.0	-38.18	365.68	10.31	-27.87
CC1=CC(Br)=CC(C)=C1C[NH2+][C@H](CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012065716	0	42	0.0	-34.73	360.45	11.62	-23.11
O=C([O-])C[C@@H]([NH2+]CC1=C(Cl)C=CC2=C1OCO2)C1=CC=CC(Cl)=C1	REAL300012065717	1	39	0.0	-45.63	346.50	8.90	-36.73
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CC(C)(C)C1=NC=C(C[NH2+][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300012065765	1	44	0.0	-38.45	368.97	7.57	-30.88
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CC1=CC=C(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012065767	0	43	0.0	-72.18	352.28	11.16	-61.02
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CC(C)(C)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012065770	0	49	0.0	-73.18	392.23	12.19	-60.99
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012065771	0	44	0.0	-74.99	372.28	9.75	-65.24
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CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065773	0	47	0.0	-79.44	394.51	11.68	-67.76
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1OC(F)F	REAL300012065774	0	45	0.0	-81.34	384.54	9.35	-71.99
CCOC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1OC	REAL300012065775	0	48	0.0	-79.96	396.64	9.99	-69.97
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012065776	0	51	0.0	-70.36	425.88	13.22	-57.14
CCCCCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012065777	0	53	0.0	-75.97	431.88	12.46	-63.51
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012065778	0	46	0.0	-83.09	404.48	12.43	-70.66
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CC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1C	REAL300012065780	0	43	0.0	-72.23	348.53	11.06	-61.17
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300012065781	0	43	0.0	-73.16	354.45	11.07	-62.09
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1Br	REAL300012065782	0	41	0.0	-79.19	365.95	9.83	-69.36
CC(C)OC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065783	0	47	0.0	-68.75	383.91	10.79	-57.96
CCCCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012065784	0	54	0.0	-79.63	439.63	11.57	-68.06
CCCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012065785	0	51	0.0	-79.60	418.13	10.79	-68.81
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CCC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300012065790	0	46	0.0	-76.38	385.80	11.78	-64.60
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CC1=CC=C(C2=NNC=C2C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012065800	0	47	0.0	-75.26	393.79	10.40	-64.86
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COC1=CC=C(C2=NNC=C2C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012065802	0	48	0.0	-76.79	401.75	9.05	-67.74
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CCOC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=NN1CC(C)C	REAL300012065804	0	56	0.0	-71.19	442.20	9.95	-61.24
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O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012065820	0	40	0.0	-73.34	366.94	11.36	-61.98
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012065821	0	37	0.0	-74.53	335.13	10.38	-64.15
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012065822	0	37	0.0	-81.75	338.63	10.43	-71.32
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012065823	0	40	0.0	-84.64	360.36	10.92	-73.72
CCOC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012065824	0	44	0.0	-74.71	367.39	10.10	-64.61
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300012065825	0	40	0.0	-77.31	342.76	10.58	-66.73
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012065826	0	37	0.0	-71.67	345.46	10.82	-60.85
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012065827	0	40	0.0	-82.09	350.97	11.00	-71.09
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012065828	0	37	0.0	-87.19	335.04	10.06	-77.13
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012065829	0	40	0.0	-81.95	361.17	10.93	-71.02
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012065830	0	40	0.0	-75.09	359.61	10.93	-64.16
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(Cl)=C1OC	REAL300012065831	0	45	0.0	-76.22	390.63	9.66	-66.56
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012065832	0	40	0.0	-75.17	353.42	11.41	-63.76
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012065833	0	37	0.0	-81.80	338.63	10.44	-71.36
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012065834	0	41	0.0	-75.77	370.65	10.03	-65.74
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012065835	0	47	0.0	-80.41	398.41	8.41	-72.00
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CN=C1Cl	REAL300012065836	0	36	0.0	-74.40	323.00	8.50	-65.90
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012065837	0	50	0.0	-80.02	422.18	11.39	-68.63
CC(C)C1=NN(C)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065838	0	46	0.0	-77.08	381.25	9.51	-67.57
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065839	0	46	0.0	-73.47	396.13	9.82	-63.65
COCCOC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012065840	0	48	0.0	-76.35	401.02	9.37	-66.98
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300012065841	0	41	0.0	-79.33	361.57	9.72	-69.61
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012065842	0	42	0.0	-75.93	376.30	8.79	-67.14
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065843	0	49	0.0	-77.88	397.41	11.44	-66.44
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012065844	0	44	0.0	-77.52	386.97	10.56	-66.96
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012065845	0	43	0.0	-72.95	358.91	9.10	-63.85
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012065846	0	46	0.0	-72.98	377.63	9.86	-63.12
CCCN1C2=CC=CC=C2N=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065847	0	49	0.0	-78.20	406.59	11.89	-66.31
CCCOC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012065848	0	47	0.0	-74.54	388.89	10.90	-63.64
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012065849	0	44	0.0	-75.33	382.08	12.45	-62.88
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012065850	0	51	0.0	-74.37	410.12	12.07	-62.30
CC(C)OC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012065851	0	47	0.0	-74.39	385.31	10.72	-63.67
CC1=CC=C(C2=NC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CS2)C=C1	REAL300012065852	0	46	0.0	-73.31	402.28	11.34	-61.97
CC(C)C1=NC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CS1	REAL300012065853	0	42	0.0	-71.57	363.80	8.91	-62.66
CC(C)(C)C1=NC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CS1	REAL300012065854	0	45	0.0	-71.27	382.74	9.42	-61.85
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012065855	0	40	0.0	-73.33	371.92	9.60	-63.73
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012065856	0	44	0.0	-76.89	390.29	12.72	-64.17
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065857	0	51	0.0	-74.03	422.40	10.75	-63.28
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012065858	0	51	0.0	-69.33	408.72	12.14	-57.19
CC1=CC=C(C2=CC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])S2)C=C1	REAL300012065859	0	47	0.0	-74.85	405.28	13.33	-61.52
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012065860	0	43	0.0	-83.71	382.13	10.18	-73.53
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065861	0	41	0.0	-74.65	378.31	10.31	-64.34
CCOC1=C(OC)C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012065862	0	52	0.0	-83.32	429.79	9.93	-73.39
COCCCOC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012065863	0	51	0.0	-76.34	422.56	9.97	-66.37
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CN=C1Cl	REAL300012065864	0	39	0.0	-82.14	346.54	9.10	-73.04
COC1=CC=C(OC(F)F)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012065865	0	45	0.0	-74.76	383.40	8.79	-65.97
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012065866	0	41	0.0	-69.88	367.99	9.91	-59.97
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012065867	0	50	0.0	-78.73	421.33	11.74	-66.99
CC1=CC=C(C2=NC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])S2)C=C1	REAL300012065868	0	46	0.0	-76.55	402.46	11.57	-64.98
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012065869	0	42	0.0	-70.61	372.50	10.92	-59.69
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012065870	0	42	0.0	-73.34	361.41	10.45	-62.89
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012065871	0	42	0.0	-71.59	362.20	10.48	-61.11
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012065872	0	42	0.0	-72.67	370.27	10.83	-61.84
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012065873	0	44	0.0	-76.84	390.77	11.93	-64.91
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])O1	REAL300012065874	0	47	0.0	-77.33	403.24	12.51	-64.82
CCC1=CC=C(C2=CC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])O2)C=C1	REAL300012065875	0	50	0.0	-75.46	419.17	13.20	-62.26
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(OC(F)F)=C1	REAL300012065876	0	45	0.0	-77.47	383.39	8.80	-68.67
COC1=CC=C2OC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CC2=C1	REAL300012065877	0	44	0.0	-78.64	373.39	9.68	-68.96
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012065878	0	41	0.0	-78.59	363.80	11.69	-66.90
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300012065879	0	43	0.0	-76.44	364.31	11.01	-65.43
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=COC2=CC=CC=C12	REAL300012065880	0	40	0.0	-76.85	343.95	10.25	-66.60
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012065881	0	45	0.0	-78.83	382.80	11.63	-67.20
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1Br	REAL300012065882	0	40	0.0	-76.13	355.53	11.06	-65.07
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N=C1	REAL300012065883	0	39	0.0	-72.11	332.45	8.70	-63.41
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012065884	0	41	0.0	-81.11	358.99	11.27	-69.84
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1Br	REAL300012065885	0	40	0.0	-77.61	355.52	11.06	-66.55
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012065886	0	44	0.0	-74.82	374.93	10.99	-63.83
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(Cl)SC=C1	REAL300012065887	0	34	0.0	-70.34	320.26	9.42	-60.92
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012065888	0	42	0.0	-71.91	368.52	10.23	-61.68
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012065889	0	41	0.0	-80.70	354.43	9.89	-70.81
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012065890	0	41	0.0	-81.15	354.33	9.88	-71.27
CCOC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012065891	0	43	0.0	-74.88	365.06	7.47	-67.41
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC2=CC=CN=C12	REAL300012065892	0	45	0.0	-81.06	377.28	11.07	-69.99
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1Cl	REAL300012065893	0	40	0.0	-77.48	351.50	10.98	-66.50
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012065894	0	39	0.0	-80.71	347.91	9.35	-71.36
CCCC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012065895	0	46	0.0	-73.39	380.42	12.08	-61.31
CCN(CC)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300012065896	0	51	0.0	-79.08	416.50	11.04	-68.04
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C(SC)C=C1OC	REAL300012065897	0	49	0.0	-73.95	410.34	10.01	-63.94
COC1=CC=C2N=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])SC2=C1	REAL300012065898	0	43	0.0	-76.17	377.69	8.68	-67.49
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065899	0	43	0.0	-80.00	379.17	10.72	-69.28
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1C#N	REAL300012065900	0	42	0.0	-87.28	365.75	9.58	-77.70
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012065901	0	41	0.0	-77.90	365.85	11.14	-66.76
CC1=CC(Cl)=CC(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065902	0	43	0.0	-75.67	365.92	11.44	-64.23
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012065903	0	41	0.0	-82.13	361.52	9.52	-72.61
CCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N=C1	REAL300012065904	0	43	0.0	-74.24	362.44	8.24	-66.00
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065905	0	43	0.0	-78.83	369.89	11.52	-67.31
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC(Cl)=C1OC	REAL300012065906	0	45	0.0	-82.37	394.74	9.71	-72.66
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OCC(C)C	REAL300012065907	0	54	0.0	-79.48	438.24	11.47	-68.01
CCCOC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1OC	REAL300012065908	0	51	0.0	-79.71	418.13	10.79	-68.92
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Br)S1	REAL300012065909	0	34	0.0	-76.03	327.93	9.71	-66.32
CCOC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC(Cl)=C1OC	REAL300012065910	0	48	0.0	-82.78	416.60	10.63	-72.15
C=CCOC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012065911	0	45	0.0	-74.92	380.30	10.68	-64.24
COC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1OC(C)C	REAL300012065912	0	51	0.0	-71.73	414.05	10.90	-60.83
CCOC1=C(Cl)C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012065913	0	48	0.0	-82.14	416.60	10.66	-71.48
CCCOC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=CC=C1OCC	REAL300012065914	0	54	0.0	-71.92	440.02	11.80	-60.12
CCCCOC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1OC	REAL300012065915	0	54	0.0	-79.73	439.63	11.57	-68.16
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OC(F)F	REAL300012065916	0	45	0.0	-78.07	384.54	9.36	-68.71
CCOC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1OC(F)F	REAL300012065917	0	48	0.0	-81.23	406.39	10.27	-70.96
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012065918	0	47	0.0	-78.56	394.59	10.93	-67.63
CCOC1=CC2=C(C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-])OC(C)C2	REAL300012065919	0	52	0.0	-71.20	423.04	10.76	-60.44
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC2=C1OCCO2	REAL300012065920	0	47	0.0	-81.62	389.73	8.89	-72.73
CCCCN1N=C(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300012065921	0	49	0.0	-73.15	418.99	10.92	-62.23
CCOC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1OC(F)F	REAL300012065922	0	48	0.0	-73.48	404.87	10.37	-63.11
CC1=CC(C)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300012065923	0	46	0.0	-71.99	369.29	11.69	-60.30
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012065924	0	44	0.0	-74.92	383.88	12.65	-62.27
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012065925	0	44	0.0	-80.21	390.99	11.94	-68.27
CC(C)(C[NH2+]CCSC1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300012065926	0	46	0.0	-75.04	364.10	11.58	-63.46
CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2CCCCC2)=N1	REAL300012065927	0	53	0.0	-77.52	422.87	11.41	-66.11
CC1CCC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])CC1	REAL300012065928	0	46	0.0	-73.83	350.84	10.59	-63.24
CC(CCC1=CC=CC=C1)C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065929	0	49	0.0	-75.14	395.05	12.74	-62.40
CCC1CCCC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C1	REAL300012065930	0	49	0.0	-73.68	376.11	11.45	-62.23
CC1(C)CCC2=C(C1)SC(C[NH2+]CCSC1=CC=CC=C1C(=O)[O-])=N2	REAL300012065931	0	49	0.0	-72.05	400.27	10.53	-61.52
CCC1=CC=CC(Cl)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065932	0	43	0.0	-69.13	365.55	11.52	-57.61
CC1=C(C)C=C2OC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CC2=C1	REAL300012065933	0	46	0.0	-76.61	382.21	11.60	-65.01
CCCC1CCC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])CC1	REAL300012065934	0	52	0.0	-73.61	397.60	12.21	-61.40
CC1CCCCC1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065935	0	46	0.0	-73.63	347.46	10.43	-63.20
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012065936	0	44	0.0	-77.32	389.02	10.27	-67.05
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012065937	0	44	0.0	-83.47	371.99	12.25	-71.22
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012065938	0	44	0.0	-77.04	384.68	11.88	-65.16
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012065939	0	43	0.0	-80.36	376.50	9.57	-70.79
CCCCC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300012065940	0	52	0.0	-76.76	428.79	13.34	-63.42
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065941	0	50	0.0	-79.02	419.84	12.05	-66.97
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012065942	0	46	0.0	-82.81	394.92	10.35	-72.46
COC1=CC=C(C)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065943	0	44	0.0	-69.47	365.58	9.90	-59.57
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300012065944	0	41	0.0	-81.25	351.76	9.25	-72.00
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012065945	0	46	0.0	-78.48	367.41	10.88	-67.60
CC(C)C1CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])CCO1	REAL300012065946	0	50	0.0	-76.89	387.14	9.92	-66.97
CC1(C)CCC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])CC1	REAL300012065947	0	49	0.0	-74.02	371.02	11.08	-62.94
CCSC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012065948	0	44	0.0	-74.76	377.72	11.73	-63.03
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012065949	1	38	0.0	-72.77	347.20	7.60	-65.17
COC1(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])CCCCC1	REAL300012065950	0	47	0.0	-71.39	359.30	9.24	-62.15
CCN1N=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C21	REAL300012065951	0	46	0.0	-74.82	387.79	10.66	-64.16
COCCC1(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])CCCCC1	REAL300012065952	0	53	0.0	-73.24	394.75	10.09	-63.15
CCCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012065953	0	47	0.0	-76.03	388.89	10.90	-65.13
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012065954	0	40	0.0	-76.77	343.92	10.40	-66.37
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012065955	0	44	0.0	-75.78	376.29	11.77	-64.01
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1OC(C)C	REAL300012065956	0	51	0.0	-79.70	414.57	10.61	-69.09
CCCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OCC	REAL300012065957	0	54	0.0	-79.58	439.99	11.71	-67.87
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012065958	0	42	0.0	-85.97	360.24	11.06	-74.91
CC(C)OC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012065959	0	47	0.0	-75.96	385.31	10.72	-65.24
CC(C[NH2+]CCSC1=CC=CC=C1C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012065960	0	58	0.0	-74.52	449.00	14.22	-60.30
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1F	REAL300012065961	0	40	0.0	-78.78	342.76	10.57	-68.21
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012065962	0	41	0.0	-75.39	347.39	9.87	-65.52
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(Br)C=CS1	REAL300012065963	0	34	0.0	-69.87	325.71	9.51	-60.36
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012065964	0	50	0.0	-72.67	400.61	9.44	-63.23
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(F)=CC=C1Br	REAL300012065965	0	37	0.0	-71.76	338.71	10.49	-61.27
CC(C)CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012065966	0	49	0.0	-73.13	397.18	12.56	-60.57
CC1=CC=C(C2=CC=CC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=C2)C=C1	REAL300012065967	0	50	0.0	-76.46	411.65	13.95	-62.51
COC1=CC=C(Br)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012065968	0	41	0.0	-69.56	360.93	9.75	-59.81
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012065969	0	43	0.0	-90.65	371.56	10.61	-80.04
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012065970	0	37	0.0	-78.70	349.50	10.88	-67.82
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012065971	0	37	0.0	-79.58	339.18	10.45	-69.13
CC1=CC=CC(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065972	0	43	0.0	-71.92	349.18	10.94	-60.98
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(Br)=CO1	REAL300012065973	0	34	0.0	-76.21	318.49	8.65	-67.56
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012065974	0	50	0.0	-75.59	412.07	13.95	-61.64
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012065975	0	41	0.0	-78.54	355.29	9.44	-69.10
CCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OCC	REAL300012065976	0	51	0.0	-79.80	418.49	10.91	-68.89
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012065977	0	37	0.0	-75.28	338.33	10.42	-64.86
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012065978	0	40	0.0	-83.58	367.93	11.28	-72.30
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)C=C1Br	REAL300012065979	0	37	0.0	-73.91	338.72	10.49	-63.42
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012065980	0	41	0.0	-78.56	362.03	9.66	-68.90
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012065981	0	37	0.0	-73.28	338.33	10.41	-62.87
COC1=CC=CC=C1C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012065982	0	51	0.0	-76.84	424.24	12.93	-63.91
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012065983	0	37	0.0	-80.48	328.86	10.01	-70.47
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012065984	0	37	0.0	-75.42	337.79	10.40	-65.02
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300012065985	0	47	0.0	-76.96	385.36	11.36	-65.60
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012065986	0	44	0.0	-75.84	374.17	9.80	-66.04
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012065986	1	44	0.0	-71.00	373.42	9.80	-61.20
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(F)=C1F	REAL300012065987	0	37	0.0	-76.53	327.90	9.96	-66.57
CN1C2=CC=CC=C2N=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065988	0	43	0.0	-78.81	362.45	10.21	-68.60
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012065989	0	40	0.0	-79.94	343.08	6.56	-73.38
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C2OCCC2=C1	REAL300012065990	0	42	0.0	-78.07	351.93	9.71	-68.36
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CSC(Br)=C1	REAL300012065991	0	34	0.0	-76.75	327.69	9.55	-67.20
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012065992	0	47	0.0	-76.50	390.25	13.28	-63.22
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012065993	0	50	0.0	-73.75	420.72	11.44	-62.31
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012065994	0	48	0.0	-77.84	389.96	9.78	-68.06
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012065995	0	41	0.0	-72.31	347.21	9.89	-62.42
CC1=CC(F)=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012065996	0	40	0.0	-77.23	337.22	10.57	-66.66
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012065997	0	37	0.0	-81.97	343.04	10.54	-71.43
CC1=NC(C)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012065998	0	39	0.0	-75.07	341.90	8.34	-66.73
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012065999	0	46	0.0	-75.40	387.76	11.75	-63.65
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012066000	0	46	0.0	-78.54	385.26	11.51	-67.03
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012066001	0	46	0.0	-80.13	385.45	11.52	-68.61
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066002	0	52	0.0	-75.61	410.02	10.42	-65.19
CN1CCN(C2=CC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300012066003	1	54	0.0	-74.97	425.25	8.58	-66.39
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012066004	0	46	0.0	-81.10	397.37	8.36	-72.74
CNC(=O)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066005	0	44	0.0	-85.31	372.51	8.15	-77.16
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012066006	0	44	0.0	-81.59	381.28	11.15	-70.44
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012066007	0	44	0.0	-80.92	391.60	11.60	-69.32
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012066008	0	44	0.0	-79.58	386.96	10.56	-69.02
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012066009	0	43	0.0	-76.42	362.15	12.13	-64.29
COC1=C2OC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CC2=CC=C1	REAL300012066010	0	44	0.0	-78.68	373.41	9.69	-68.99
CC(C)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012066011	0	48	0.0	-86.31	401.12	12.37	-73.94
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066012	0	53	0.0	-77.64	434.85	12.34	-65.30
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(Br)=CC=C1F	REAL300012066013	0	37	0.0	-73.22	342.90	10.52	-62.70
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Br)C=C1F	REAL300012066014	0	37	0.0	-75.42	342.90	10.53	-64.89
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC(OC)=C1	REAL300012066015	0	45	0.0	-75.75	375.04	8.48	-67.27
COC1=CC2=CC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])C=C2C=C1	REAL300012066016	0	47	0.0	-79.38	391.49	11.42	-67.96
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(Br)=CS1	REAL300012066018	0	34	0.0	-74.91	327.73	9.60	-65.31
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066019	0	50	0.0	-78.07	413.42	11.98	-66.09
COC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1OC(F)F	REAL300012066020	0	45	0.0	-73.71	382.88	9.45	-64.26
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012066021	0	41	0.0	-76.98	376.57	10.45	-66.53
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012066022	0	43	0.0	-76.05	366.39	8.92	-67.13
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012066024	0	37	0.0	-81.68	343.04	10.53	-71.15
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012066025	0	52	0.0	-74.23	408.97	11.16	-63.07
CCCCCCOC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066026	0	56	0.0	-74.40	453.39	13.24	-61.16
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1SC	REAL300012066027	0	45	0.0	-79.95	384.95	10.22	-69.73
N#CCCCOC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066028	0	48	0.0	-81.78	409.74	11.41	-70.37
CCC(C)OC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1OC	REAL300012066029	0	54	0.0	-79.67	435.32	11.40	-68.27
C=C(C)COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1OC	REAL300012066030	0	52	0.0	-80.58	428.92	11.34	-69.24
C=CCC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC(OC)=C1O	REAL300012066031	0	49	0.0	-79.73	410.91	9.02	-70.71
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012066032	0	44	0.0	-82.07	375.43	9.80	-72.27
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066033	0	46	0.0	-79.51	394.24	10.83	-68.68
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012066034	0	43	0.0	-79.70	368.94	9.70	-70.00
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012066035	0	43	0.0	-75.25	379.19	10.64	-64.61
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012066036	0	50	0.0	-80.80	410.08	9.00	-71.80
CN1C=NC2=CC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300012066037	0	43	0.0	-79.38	364.42	11.22	-68.16
CCN1N=C(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1C	REAL300012066038	0	46	0.0	-76.33	379.74	9.51	-66.82
C=CCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300012066039	0	45	0.0	-79.53	396.32	11.23	-68.30
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012066040	0	43	0.0	-76.72	381.07	10.89	-65.83
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C2OC(C)CC2=C1	REAL300012066041	0	49	0.0	-71.92	402.46	9.75	-62.17
CC1(C)CC2=CC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CC=C2O1	REAL300012066042	0	48	0.0	-77.95	393.45	11.12	-66.83
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012066043	0	43	0.0	-75.93	372.70	8.31	-67.62
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012066044	0	40	0.0	-73.73	372.51	9.69	-64.04
CC1=CC=CC(C2=NNC=C2C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066045	0	47	0.0	-75.24	393.92	10.39	-64.85
CC1=CC=C(F)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066046	0	40	0.0	-70.97	341.96	10.59	-60.38
CC1=CC=C(F)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066047	0	40	0.0	-75.80	337.27	10.56	-65.24
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012066048	0	40	0.0	-81.04	371.49	11.36	-69.68
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(Br)=C1	REAL300012066049	0	40	0.0	-69.58	353.73	11.09	-58.49
CC1=NC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066050	0	39	0.0	-76.46	325.94	8.68	-67.78
CC(C)COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066051	0	50	0.0	-75.77	408.99	11.59	-64.18
COCCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066052	0	48	0.0	-78.31	401.01	9.37	-68.94
CC1(C)CCCC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C1	REAL300012066053	0	49	0.0	-74.16	371.02	11.08	-63.08
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012066054	0	41	0.0	-80.48	371.32	9.99	-70.49
CC1=CCCC(C)C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066055	0	47	0.0	-69.66	359.77	11.17	-58.49
COC1=CC2=C(C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-])OCO2	REAL300012066056	0	44	0.0	-75.54	370.19	7.89	-67.65
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012066057	0	42	0.0	-75.80	352.46	10.24	-65.56
CC(C)COC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066058	0	50	0.0	-74.34	408.99	11.59	-62.75
CC1=CC(Cl)=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066059	0	40	0.0	-76.19	347.55	11.01	-65.18
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012066060	0	41	0.0	-79.59	353.49	11.24	-68.35
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Cl)N=C1	REAL300012066061	0	36	0.0	-82.28	327.74	8.51	-73.77
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=CC(Br)=C1	REAL300012066062	0	36	0.0	-79.46	332.20	8.69	-70.77
CN1N=NC2=CC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300012066063	0	42	0.0	-85.99	360.02	8.32	-77.67
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1CCCCCC1	REAL300012066064	0	46	0.0	-73.60	348.22	10.65	-62.95
CC1(C)CC2=CC=CC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=C2O1	REAL300012066065	0	48	0.0	-70.16	393.34	11.09	-59.07
COC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066066	0	40	0.0	-75.01	343.20	6.54	-68.47
CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012066067	0	47	0.0	-74.55	395.35	11.05	-63.50
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012066068	0	44	0.0	-77.69	374.39	11.07	-66.62
CC(C)N1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012066069	0	43	0.0	-76.42	359.07	9.06	-67.36
CC1=C(Br)SC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066070	0	37	0.0	-76.01	347.53	10.31	-65.70
CC1=NC2=CC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])C=C2C=C1	REAL300012066071	0	45	0.0	-81.75	378.74	10.85	-70.90
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012066072	0	39	0.0	-68.27	339.95	8.94	-59.33
CC1=CC(C)=CC(C2=CC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])C=C2)=C1	REAL300012066073	0	53	0.0	-76.58	433.06	14.61	-61.97
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012066074	0	46	0.0	-85.28	390.42	13.40	-71.88
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012066075	0	40	0.0	-79.25	350.33	10.47	-68.78
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012066076	0	44	0.0	-80.93	380.40	10.42	-70.51
COCC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066077	0	44	0.0	-75.69	371.10	9.59	-66.10
CCCCOC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066078	0	50	0.0	-69.18	408.97	11.75	-57.43
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012066079	0	48	0.0	-80.17	416.63	13.97	-66.20
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012066080	0	47	0.0	-73.75	392.27	10.72	-63.03
COC1=CC(C)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012066081	0	48	0.0	-78.45	389.53	9.69	-68.76
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066082	0	43	0.0	-81.12	380.09	10.75	-70.37
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066083	1	43	0.0	-71.44	377.58	7.95	-63.49
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012066084	0	41	0.0	-75.38	362.88	8.71	-66.67
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012066085	0	47	0.0	-80.69	406.69	11.61	-69.08
CC1CCC2=C(C1)SC(C[NH2+]CCSC1=CC=CC=C1C(=O)[O-])=N2	REAL300012066086	0	46	0.0	-72.23	385.36	10.23	-62.00
CC(C)(C)C1CCC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])CC1	REAL300012066087	0	55	0.0	-73.97	398.82	11.95	-62.02
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066088	0	51	0.0	-72.18	418.31	12.66	-59.52
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066089	0	51	0.0	-72.35	418.28	12.65	-59.70
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C(C)O1	REAL300012066090	0	40	0.0	-73.64	337.82	9.48	-64.16
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066091	0	50	0.0	-75.98	413.48	10.89	-65.09
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012066092	0	48	0.0	-76.26	399.06	11.68	-64.58
COC1=CC(Cl)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300012066093	0	41	0.0	-74.03	374.23	10.16	-63.87
CC(C)CC1=NC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066094	0	45	0.0	-75.09	382.44	9.84	-65.25
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012066095	0	40	0.0	-76.70	372.93	9.96	-66.74
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012066096	0	40	0.0	-76.67	372.20	9.84	-66.83
CC1=CC=C(C2=NC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])S2)O1	REAL300012066097	0	43	0.0	-78.59	385.75	9.80	-68.79
CC1=CC(Br)=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066098	0	40	0.0	-76.30	352.12	11.12	-65.18
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012066099	0	44	0.0	-77.29	378.84	9.81	-67.48
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012066100	0	46	0.0	-77.90	390.98	11.55	-66.35
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012066101	0	40	0.0	-73.88	360.16	10.83	-63.05
COCCOC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066102	0	48	0.0	-70.19	399.60	9.44	-60.75
COC1=C(Br)C=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066103	0	41	0.0	-73.53	366.03	9.92	-63.61
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NC2=C(CCC2)S1	REAL300012066104	0	40	0.0	-73.05	346.66	9.04	-64.01
CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012066105	0	44	0.0	-73.28	382.73	10.31	-62.97
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066106	0	41	0.0	-76.37	345.54	9.17	-67.20
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012066107	0	44	0.0	-77.61	382.69	11.82	-65.79
CC(C)(C)C1=NC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066108	0	45	0.0	-74.84	382.88	9.66	-65.18
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012066109	0	43	0.0	-78.27	360.54	9.03	-69.24
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(Br)=C1	REAL300012066110	0	37	0.0	-76.40	337.33	10.49	-65.91
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(Cl)=C1	REAL300012066111	0	37	0.0	-76.34	332.76	10.38	-65.96
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012066112	0	44	0.0	-79.73	374.86	11.08	-68.65
CC(C)(C)N1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012066113	0	46	0.0	-75.98	378.80	9.69	-66.29
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC(C)=C1	REAL300012066114	0	43	0.0	-73.36	358.85	11.19	-62.17
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(CO)O1	REAL300012066115	0	38	0.0	-76.87	330.11	5.49	-71.38
CC(=O)NC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066116	0	44	0.0	-80.97	372.41	8.75	-72.22
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1Cl	REAL300012066117	0	37	0.0	-69.57	327.91	10.35	-59.22
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012066118	0	39	0.0	-86.77	344.25	10.54	-76.23
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012066119	0	39	0.0	-89.16	344.25	10.54	-78.62
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012066120	0	43	0.0	-74.38	357.02	12.01	-62.37
CN(C)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066121	0	45	0.0	-73.32	367.14	10.26	-63.06
CCN(CC)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066122	0	51	0.0	-72.36	411.16	12.18	-60.18
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Br)C=C1	REAL300012066123	0	37	0.0	-77.75	337.33	10.50	-67.25
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Cl)C=C1	REAL300012066124	0	37	0.0	-77.61	332.76	10.39	-67.22
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC(OC)=C1OC	REAL300012066125	0	49	0.0	-83.57	407.94	8.99	-74.58
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012066126	0	37	0.0	-68.13	335.39	10.30	-57.83
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)C=C1	REAL300012066127	0	37	0.0	-78.67	322.44	9.94	-68.73
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012066128	0	41	0.0	-74.06	353.87	9.52	-64.54
COC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1OC	REAL300012066129	0	45	0.0	-72.36	374.82	9.13	-63.23
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012066130	0	37	0.0	-73.67	345.46	10.82	-62.85
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012066131	0	50	0.0	-76.13	400.04	8.70	-67.43
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012066132	0	45	0.0	-79.99	374.78	9.07	-70.92
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(OC)=C1	REAL300012066133	0	45	0.0	-72.19	373.64	8.53	-63.66
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012066134	0	40	0.0	-80.46	354.76	10.87	-69.59
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)C=C1F	REAL300012066135	0	37	0.0	-76.10	328.01	9.97	-66.13
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012066136	0	37	0.0	-73.67	343.92	10.77	-62.90
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012066137	0	37	0.0	-80.61	347.95	10.84	-69.77
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012066138	0	41	0.0	-78.34	355.29	9.45	-68.89
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012066139	0	40	0.0	-77.59	344.58	10.93	-66.66
CCCCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066140	0	50	0.0	-76.03	410.39	11.68	-64.35
CC(C)CCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066141	0	53	0.0	-75.90	427.95	12.20	-63.70
CCCCCCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066142	0	56	0.0	-75.91	453.38	13.24	-62.67
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012066143	0	48	0.0	-77.58	404.73	12.71	-64.87
COC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066144	0	41	0.0	-74.89	345.54	9.17	-65.72
CC(=CC1=CC=CC=C1)C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066145	0	44	0.0	-74.92	363.70	11.65	-63.27
CCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012066146	0	48	0.0	-79.87	396.63	9.99	-69.88
CC(C)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066147	0	46	0.0	-73.30	376.26	11.80	-61.50
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012066148	0	40	0.0	-78.81	354.76	10.86	-67.95
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(OC)=C1OC	REAL300012066149	0	49	0.0	-76.32	407.91	9.07	-67.25
CCOC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066150	0	44	0.0	-69.14	365.97	10.17	-58.97
CCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066151	0	44	0.0	-76.25	367.39	10.10	-66.15
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1F	REAL300012066152	0	37	0.0	-71.25	320.60	9.91	-61.34
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(F)=C1	REAL300012066153	0	37	0.0	-77.37	322.44	9.94	-67.43
COC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066154	0	41	0.0	-69.63	344.12	9.24	-60.39
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])SC=C1	REAL300012066155	0	37	0.0	-71.41	324.74	9.55	-61.86
COC1=CC=C(Br)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066156	0	41	0.0	-71.61	365.46	9.85	-61.76
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012066157	0	47	0.0	-76.38	390.25	13.29	-63.09
CC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066158	0	40	0.0	-72.24	330.83	10.50	-61.74
COC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012066159	0	47	0.0	-69.49	386.41	11.35	-58.14
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066160	0	40	0.0	-73.37	337.44	10.55	-62.82
N#CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066161	0	38	0.0	-84.63	336.89	10.27	-74.36
CSC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066162	0	41	0.0	-76.74	356.25	10.89	-65.85
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012066163	0	37	0.0	-66.90	344.13	10.69	-56.21
COC1=CC(OC)=C(OC)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066164	0	49	0.0	-75.13	402.79	8.44	-66.69
CC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066165	0	40	0.0	-73.31	337.44	10.54	-62.77
CCC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066166	0	43	0.0	-73.36	358.92	11.31	-62.05
CC1=CC(C)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300012066167	0	46	0.0	-71.91	370.62	11.60	-60.31
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(F)C=CC=C1F	REAL300012066168	0	37	0.0	-69.26	326.65	9.91	-59.35
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012066169	0	37	0.0	-83.31	328.74	9.99	-73.32
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012066170	0	51	0.0	-75.83	427.30	13.15	-62.68
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066171	0	37	0.0	-72.17	328.14	9.77	-62.40
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1Br	REAL300012066172	0	37	0.0	-69.08	331.48	10.46	-58.62
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1O	REAL300012066173	0	42	0.0	-78.91	356.30	7.01	-71.90
CC1=NN(C)C(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066174	0	43	0.0	-76.60	357.92	8.65	-67.95
CC1=NN(C)C(Cl)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066175	0	40	0.0	-73.63	354.18	8.51	-65.12
CCC1=NN(C)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066176	0	43	0.0	-77.25	359.98	9.00	-68.25
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012066177	0	40	0.0	-81.64	358.25	9.04	-72.60
CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C(C)(C)C)=N1	REAL300012066178	0	49	0.0	-74.21	385.04	10.05	-64.16
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Cl)O1	REAL300012066179	0	34	0.0	-76.45	313.85	8.63	-67.82
CN(CCC#N)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066180	0	49	0.0	-78.71	410.21	11.73	-66.98
CCOC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1OC	REAL300012066181	0	48	0.0	-72.25	396.62	10.06	-62.19
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OCC(N)=O	REAL300012066182	0	49	0.0	-93.01	413.36	7.03	-85.98
C#CCOC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066183	0	43	0.0	-70.06	371.76	10.71	-59.35
CC1=NOC(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066184	0	39	0.0	-79.35	333.16	8.66	-70.69
CC1=NC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CS1	REAL300012066185	0	36	0.0	-71.72	322.60	7.59	-64.13
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC2=C1OCO2	REAL300012066186	0	44	0.0	-84.70	371.62	7.81	-76.89
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012066187	1	43	0.0	-78.12	370.47	9.66	-68.46
COC1=CC2=C(C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-])OC(C)C2	REAL300012066188	0	49	0.0	-71.75	401.18	9.84	-61.91
CCN(C(C)=O)C1=NC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CS1	REAL300012066189	1	46	0.0	-76.37	394.63	9.72	-66.65
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300012066190	0	44	0.0	-76.22	365.61	9.91	-66.31
CC(C)(C)C1=NNC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066191	0	46	0.0	-75.91	364.56	8.64	-67.27
COC1=CC=CC(OC)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066192	0	45	0.0	-66.14	372.35	8.59	-57.55
COC1=CC=C(F)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066193	0	41	0.0	-71.92	350.03	9.21	-62.71
CSC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066194	0	38	0.0	-74.65	349.55	10.19	-64.46
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066195	0	50	0.0	-68.37	404.38	13.72	-54.65
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC2=C1OCO2	REAL300012066196	0	40	0.0	-74.22	342.05	8.52	-65.70
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(Cl)C=CS1	REAL300012066197	0	34	0.0	-70.10	321.55	9.42	-60.68
CS(=O)(=O)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066198	0	43	0.0	-85.33	376.73	7.39	-77.94
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012066199	0	47	0.0	-77.53	406.97	13.81	-63.72
COC1=CC=C(F)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066200	0	41	0.0	-72.53	350.57	9.30	-63.23
NC(=O)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066201	0	41	0.0	-85.05	350.57	6.65	-78.40
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1F	REAL300012066202	0	41	0.0	-82.67	351.76	9.24	-73.43
COC1=CC=C(Cl)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066203	0	41	0.0	-71.62	360.90	9.74	-61.88
COC(=O)C1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CN1C	REAL300012066204	0	44	0.0	-80.52	375.46	10.06	-70.46
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300012066205	0	40	0.0	-76.19	351.50	10.97	-65.22
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1C	REAL300012066206	0	44	0.0	-76.13	365.61	9.91	-66.22
CC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1F	REAL300012066207	0	40	0.0	-71.53	341.91	10.54	-60.99
N#CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300012066208	0	38	0.0	-82.01	342.42	10.29	-71.72
CC1=NNC(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066209	0	40	0.0	-76.45	336.52	7.40	-69.05
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012066210	0	50	0.0	-77.79	420.07	11.46	-66.33
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Br)C=N1	REAL300012066211	0	36	0.0	-75.50	332.33	8.65	-66.85
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012066212	0	46	0.0	-77.32	389.72	7.18	-70.14
C#CCCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066213	0	46	0.0	-76.96	394.67	11.42	-65.54
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012066214	0	40	0.0	-74.58	343.01	10.39	-64.19
CC1=NN(C)C2=NC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])C=C12	REAL300012066215	0	45	0.0	-85.93	382.30	9.60	-76.33
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CSC(C2CC2)=N1	REAL300012066216	0	40	0.0	-71.94	352.49	9.10	-62.84
CCC1=NC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CS1	REAL300012066217	0	39	0.0	-71.61	344.08	8.34	-63.27
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012066218	0	40	0.0	-75.10	359.73	10.89	-64.21
CC1=NN(C)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066219	0	40	0.0	-77.16	338.49	8.27	-68.89
CCOCC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1OC	REAL300012066220	0	51	0.0	-74.81	419.62	10.08	-64.73
CCN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012066221	0	40	0.0	-77.02	340.38	8.54	-68.48
NC(=O)C1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066222	0	41	0.0	-80.20	350.58	6.64	-73.56
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012066223	0	40	0.0	-79.10	353.23	9.36	-69.74
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1CCCCCCC1	REAL300012066224	0	49	0.0	-73.95	358.71	11.05	-62.90
CC1=CSC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066225	0	36	0.0	-72.89	322.62	7.61	-65.28
COC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1F	REAL300012066226	0	41	0.0	-74.29	350.91	9.20	-65.09
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(F)C=CC=C1Br	REAL300012066227	0	37	0.0	-67.56	339.42	10.39	-57.17
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C2CCCC2=C1	REAL300012066228	0	44	0.0	-73.76	361.55	11.78	-61.98
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CSC=C1Br	REAL300012066229	0	34	0.0	-70.02	324.32	9.39	-60.63
CC(C)COC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066230	0	50	0.0	-69.26	407.57	11.66	-57.60
CCN1N=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066231	0	40	0.0	-77.56	333.74	8.39	-69.17
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012066232	0	43	0.0	-72.34	364.56	9.62	-62.72
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012066233	0	37	0.0	-79.57	343.74	10.55	-69.02
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012066234	0	42	0.0	-81.22	357.04	10.35	-70.87
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(F)=C1Br	REAL300012066235	0	37	0.0	-73.95	338.03	10.46	-63.49
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])SC=N1	REAL300012066236	0	36	0.0	-75.38	319.95	7.63	-67.75
COC1=CC(F)=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066237	0	41	0.0	-78.04	351.95	9.24	-68.80
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(Br)=C1F	REAL300012066238	0	37	0.0	-75.57	342.20	10.51	-65.06
CC(C)(C)C1=NC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012066239	0	47	0.0	-80.13	387.66	9.83	-70.30
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=CS1	REAL300012066240	0	37	0.0	-72.94	323.27	9.59	-63.35
CS(=O)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066241	0	42	0.0	-86.48	368.25	8.47	-78.01
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012066242	0	47	0.0	-73.34	378.73	12.36	-60.98
N#CC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066243	0	37	0.0	-82.22	331.98	8.34	-73.88
COC(=O)C1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CN1	REAL300012066244	0	41	0.0	-81.09	357.69	8.31	-72.78
COCC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])O1	REAL300012066245	0	41	0.0	-76.00	352.36	7.89	-68.11
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=C1OC	REAL300012066246	0	48	0.0	-78.65	389.78	9.77	-68.88
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012066247	0	34	0.0	-74.03	337.00	9.87	-64.16
CC1=NC(F)=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066248	0	39	0.0	-82.47	332.38	8.62	-73.85
COC1=CC(C)=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066249	0	44	0.0	-69.50	365.58	9.90	-59.60
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CS1	REAL300012066250	0	37	0.0	-73.48	327.90	9.62	-63.86
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N=N1	REAL300012066251	0	38	0.0	-77.86	327.55	7.58	-70.28
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012066252	0	36	0.0	-82.48	342.10	8.29	-74.19
CS(=O)(=O)C1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066253	0	43	0.0	-83.52	376.73	7.38	-76.14
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(Cl)=CS1	REAL300012066254	0	34	0.0	-75.16	323.14	9.49	-65.67
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012066255	0	50	0.0	-73.33	400.20	13.08	-60.25
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N(C)N=C1	REAL300012066256	0	40	0.0	-78.72	336.96	8.05	-70.67
CC1=CC(Cl)=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066257	0	40	0.0	-76.32	354.17	11.04	-65.28
COCC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066258	0	44	0.0	-76.10	371.10	9.60	-66.50
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012066259	0	44	0.0	-70.41	373.55	11.53	-58.88
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012066260	0	44	0.0	-73.95	365.25	11.98	-61.97
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NC=C(Cl)S1	REAL300012066261	0	33	0.0	-75.12	317.88	7.63	-67.49
C=CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012066262	0	38	0.0	-79.02	330.64	8.88	-70.14
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NN1C1CCCC1	REAL300012066263	0	47	0.0	-79.21	382.19	10.36	-68.85
COC1=CC2=CC=CC=C2C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066264	0	47	0.0	-72.86	389.87	11.51	-61.35
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012066265	0	40	0.0	-78.99	350.20	10.80	-68.19
COC1=CC(C)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=N1	REAL300012066266	0	46	0.0	-78.32	376.87	7.62	-70.70
COC1=CC=CC(Cl)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066267	0	41	0.0	-66.50	358.26	9.64	-56.86
CCC1=CC(OC)=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066268	0	47	0.0	-74.94	378.95	10.45	-64.49
CC1=NC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N1C1=CC=CC=C1	REAL300012066269	0	47	0.0	-72.98	395.07	12.14	-60.84
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=NN1C	REAL300012066270	0	40	0.0	-76.50	335.63	8.14	-68.36
CCCN1N=C(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1C	REAL300012066271	0	49	0.0	-76.19	401.23	10.26	-65.93
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012066272	0	42	0.0	-80.91	358.03	9.53	-71.38
COCCN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012066273	0	44	0.0	-78.16	374.05	7.59	-70.57
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012066274	0	47	0.0	-73.50	381.79	12.46	-61.04
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC2=CC=CC=C21	REAL300012066275	0	47	0.0	-78.42	390.51	11.48	-66.94
CCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300012066276	0	44	0.0	-81.17	373.62	10.17	-71.00
COC1=CC=CC2=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])C=CC=C12	REAL300012066277	0	47	0.0	-77.02	385.38	11.36	-65.66
N#CC1=CSC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066278	0	35	0.0	-82.66	327.30	9.40	-73.26
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1C#N	REAL300012066279	0	42	0.0	-88.70	365.74	9.58	-79.12
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066280	0	47	0.0	-74.39	391.35	11.70	-62.69
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012066281	1	36	0.0	-77.75	341.39	8.19	-69.56
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1C#N	REAL300012066282	0	41	0.0	-85.04	356.04	10.76	-74.28
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012066283	0	44	0.0	-79.95	379.89	8.17	-71.78
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(Br)=C1	REAL300012066284	0	41	0.0	-72.30	361.79	9.71	-62.59
CC1=CN=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066285	0	36	0.0	-72.41	322.73	7.81	-64.60
CC(C)CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012066286	0	46	0.0	-76.56	381.69	10.07	-66.49
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1C1CC1	REAL300012066287	0	44	0.0	-72.28	359.03	11.88	-60.40
CC1=CC(Br)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066288	0	37	0.0	-69.53	347.60	10.31	-59.22
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066289	0	52	0.0	-78.73	425.73	12.57	-66.16
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066290	0	47	0.0	-65.20	405.12	12.56	-52.64
CCC1=CN=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066291	0	39	0.0	-72.32	344.22	8.59	-63.73
CN1C(=O)CCC2=CC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300012066292	0	48	0.0	-84.71	391.90	10.77	-73.94
CC1=CC=C(OC(F)F)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066293	0	44	0.0	-73.96	375.34	10.18	-63.78
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012066294	0	43	0.0	-79.29	385.57	11.13	-68.16
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012066295	0	48	0.0	-71.16	414.42	12.25	-58.91
CC1=NN(C(C)C)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066296	0	46	0.0	-76.22	378.71	9.65	-66.57
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012066297	0	46	0.0	-74.90	387.95	10.51	-64.39
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(C2CC2)S1	REAL300012066298	0	40	0.0	-75.39	353.95	9.51	-65.88
CC(C)C1=NC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066299	0	42	0.0	-74.93	365.00	9.19	-65.74
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012066300	0	40	0.0	-78.78	363.83	8.97	-69.81
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012066301	0	49	0.0	-76.82	425.62	12.39	-64.43
CN1C=C(C2=CC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012066302	0	47	0.0	-79.52	396.15	11.18	-68.34
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012066303	0	40	0.0	-82.31	352.23	8.87	-73.44
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012066304	0	48	0.0	-79.48	411.14	12.78	-66.70
CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012066305	0	47	0.0	-77.60	401.76	11.12	-66.48
CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012066306	0	48	0.0	-82.98	416.18	11.44	-71.54
CN(C)C(=O)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N1	REAL300012066307	0	45	0.0	-87.29	373.12	8.05	-79.24
NC(=O)C1=CSC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066308	0	38	0.0	-80.34	342.37	5.74	-74.60
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012066309	0	51	0.0	-81.80	424.41	12.30	-69.50
CCC1=NN(C)C(CC)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066310	0	49	0.0	-76.30	400.90	10.10	-66.20
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012066311	0	43	0.0	-74.90	370.59	9.99	-64.91
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012066312	0	44	0.0	-77.00	379.78	8.11	-68.89
CC1=CC=CC=C1N1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N=N1	REAL300012066313	0	46	0.0	-78.40	390.08	10.60	-67.80
CN1N=C(Br)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066314	0	37	0.0	-82.53	338.37	7.94	-74.59
CN1C=C(C2=CC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])S2)C=N1	REAL300012066315	0	44	0.0	-77.97	389.99	10.56	-67.41
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012066316	0	49	0.0	-80.52	395.09	10.75	-69.77
CCOC1=C(Cl)C=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066317	0	44	0.0	-73.21	383.43	10.77	-62.44
CCC1=CC=CC(F)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066318	0	43	0.0	-70.35	356.63	11.13	-59.22
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012066319	0	37	0.0	-77.62	348.95	10.86	-66.76
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NN(C(F)F)C=C1	REAL300012066320	0	37	0.0	-75.58	331.51	7.72	-67.86
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066321	0	48	0.0	-75.78	401.62	10.25	-65.53
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012066322	0	41	0.0	-69.64	366.00	9.75	-59.89
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012066323	0	44	0.0	-77.94	378.65	10.84	-67.10
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012066324	0	50	0.0	-72.11	414.10	11.72	-60.39
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012066325	0	50	0.0	-72.03	409.81	11.36	-60.67
CC(C)C1=CN=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066326	0	42	0.0	-72.17	364.60	9.22	-62.95
CC(C)(C)C1=CN=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066327	0	45	0.0	-72.05	382.37	9.66	-62.39
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(C2CC2)N=CS1	REAL300012066328	0	40	0.0	-75.60	351.52	9.30	-66.30
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012066329	0	43	0.0	-70.94	377.11	13.48	-57.46
COC(=O)C1=C(C)N(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066330	0	47	0.0	-83.14	394.08	10.38	-72.76
COCCCN1N=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066331	0	47	0.0	-77.99	388.92	8.22	-69.77
CC1=CC(F)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(Cl)=C1	REAL300012066332	0	40	0.0	-67.79	356.81	10.97	-56.82
COCCOCC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066333	0	51	0.0	-77.64	426.58	9.83	-67.81
CSCC1=CN=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066334	0	40	0.0	-74.61	367.45	9.03	-65.58
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012066335	0	37	0.0	-69.90	335.93	9.84	-60.06
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012066336	0	43	0.0	-75.83	386.50	12.43	-63.40
CCN1N=C(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066337	1	42	0.0	-75.81	355.18	7.46	-68.35
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012066338	0	44	0.0	-73.94	365.25	11.97	-61.97
CC1=NN(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066339	0	40	0.0	-79.53	338.59	8.02	-71.51
N#CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300012066340	0	38	0.0	-89.40	342.79	10.31	-79.09
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012066341	0	40	0.0	-85.10	355.64	8.97	-76.13
CC1=CC(F)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300012066342	0	40	0.0	-68.88	348.06	10.59	-58.29
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])O1	REAL300012066343	0	47	0.0	-73.66	400.05	10.30	-63.36
CC(C)CN1N=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066344	0	46	0.0	-78.79	379.10	9.86	-68.93
COC(=O)C1=C(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CN1	REAL300012066345	0	44	0.0	-80.55	373.60	8.89	-71.66
CC1=CC=C(C2=NC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])S2)C=C1C	REAL300012066346	0	49	0.0	-76.72	419.43	12.10	-64.62
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066347	0	47	0.0	-83.26	398.91	11.83	-71.43
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066348	0	50	0.0	-79.27	415.91	12.35	-66.92
CC(C)(C#N)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066349	0	47	0.0	-80.78	392.65	11.83	-68.95
CC(C)C1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066350	0	46	0.0	-72.01	369.85	11.66	-60.35
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NN2CCCCC2=C1	REAL300012066351	0	44	0.0	-71.99	360.63	9.21	-62.78
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012066352	0	43	0.0	-80.00	366.35	9.51	-70.49
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012066353	0	39	0.0	-80.28	338.64	8.66	-71.62
COC1=CC(OC)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300012066354	0	45	0.0	-75.93	379.79	8.61	-67.32
COC1=CC(F)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012066355	0	45	0.0	-76.31	379.29	9.11	-67.20
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(Cl)=C1	REAL300012066356	0	40	0.0	-70.10	350.15	10.98	-59.12
CCC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066357	0	43	0.0	-73.38	358.92	11.30	-62.08
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066358	0	50	0.0	-79.49	415.98	12.34	-67.15
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300012066359	0	41	0.0	-74.54	351.09	9.19	-65.35
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC2=C1CCC2	REAL300012066360	0	44	0.0	-73.11	358.90	11.76	-61.35
COC1=CC=CC(F)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066361	0	41	0.0	-67.65	349.52	9.26	-58.39
CCCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300012066362	0	50	0.0	-74.85	403.66	11.53	-63.32
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012066363	0	39	0.0	-79.70	348.16	9.62	-70.08
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C2CCCN2N=C1	REAL300012066364	0	41	0.0	-77.27	342.51	8.47	-68.80
CCC1=C2OC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CC2=CC=C1	REAL300012066365	0	46	0.0	-76.54	386.81	11.83	-64.71
C=CCCN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N=N1	REAL300012066366	0	43	0.0	-78.22	368.57	8.53	-69.69
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NN1CC1CC1	REAL300012066367	0	44	0.0	-75.66	365.56	9.92	-65.74
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012066368	0	45	0.0	-75.00	381.96	10.88	-64.12
CCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300012066369	0	47	0.0	-75.03	382.21	10.72	-64.31
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012066370	0	41	0.0	-76.27	360.37	9.59	-66.68
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012066371	0	41	0.0	-76.68	360.33	9.59	-67.09
COC1=NC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066372	0	40	0.0	-72.86	341.81	6.64	-66.22
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012066373	0	50	0.0	-73.43	400.26	13.08	-60.35
CN1C=C(C2=NN(C)C=C2C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012066374	0	47	0.0	-76.76	399.36	8.88	-67.88
COCC1=CSC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066375	0	41	0.0	-74.30	361.56	8.70	-65.60
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012066376	0	43	0.0	-77.61	358.22	8.35	-69.26
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012066377	0	37	0.0	-79.76	346.65	10.01	-69.75
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012066378	0	37	0.0	-79.18	337.96	9.24	-69.94
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012066379	0	37	0.0	-70.67	337.43	10.00	-60.67
CN(C)C1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=CC(F)=C1F	REAL300012066380	0	45	0.0	-78.97	375.69	9.94	-69.03
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012066381	0	37	0.0	-70.82	341.24	10.35	-60.47
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012066382	0	49	0.0	-78.68	401.37	9.52	-69.16
CN(C)C1=CC(F)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300012066383	0	45	0.0	-75.88	381.45	9.45	-66.43
COC(=O)C1=C2CCCCN2C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066384	0	51	0.0	-83.59	417.79	11.60	-71.99
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012066385	0	37	0.0	-81.36	333.17	10.04	-71.32
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012066386	0	44	0.0	-79.29	384.26	10.16	-69.13
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OC1CC1	REAL300012066387	0	49	0.0	-81.26	405.82	10.74	-70.52
CCCN1N=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066388	0	43	0.0	-77.30	355.24	9.15	-68.15
CN1N=C(C(F)(F)F)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066389	0	40	0.0	-85.15	358.02	8.42	-76.73
COCC(C)OC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066390	0	51	0.0	-77.81	417.62	10.08	-67.73
CCCC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066391	0	43	0.0	-72.10	371.13	11.33	-60.77
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012066392	0	44	0.0	-76.96	383.40	12.49	-64.47
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012066393	0	50	0.0	-80.28	415.15	12.18	-68.10
CC(C)C1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066394	0	46	0.0	-73.32	376.26	11.79	-61.53
CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(Cl)=N1	REAL300012066395	0	37	0.0	-75.82	335.52	8.09	-67.73
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1C(C)(C)C	REAL300012066396	0	53	0.0	-75.45	416.71	11.85	-63.60
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012066397	0	50	0.0	-73.41	407.09	13.38	-60.03
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=NC=C1Br	REAL300012066398	0	39	0.0	-75.08	350.85	9.23	-65.85
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C(Br)C=C1F	REAL300012066399	0	40	0.0	-73.17	358.20	11.16	-62.01
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(O)C=CC=C1Br	REAL300012066400	0	38	0.0	-71.26	343.80	7.57	-63.69
CN1C=C(C2=NC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CS2)C=N1	REAL300012066401	0	43	0.0	-76.56	385.54	8.45	-68.11
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1Cl	REAL300012066402	0	41	0.0	-80.70	361.57	9.72	-70.98
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NN1CC1CCC1	REAL300012066403	0	47	0.0	-79.13	386.74	10.43	-68.70
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012066404	0	43	0.0	-81.45	375.35	9.77	-71.68
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012066405	0	43	0.0	-75.39	365.22	11.44	-63.95
CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(Br)=N1	REAL300012066406	0	37	0.0	-75.08	339.57	8.16	-66.92
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300012066407	0	40	0.0	-71.61	343.01	10.58	-61.03
CC(=O)NC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066408	0	44	0.0	-83.73	371.85	8.78	-74.95
CN1N=CC2=CC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CN=C21	REAL300012066409	0	42	0.0	-85.27	360.34	9.00	-76.27
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NC=C(Br)C=C1F	REAL300012066410	0	36	0.0	-71.88	337.69	8.67	-63.21
COC1=CC(Cl)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OC	REAL300012066411	0	45	0.0	-74.64	386.57	9.55	-65.09
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012066412	0	43	0.0	-77.02	377.02	11.66	-65.36
CN1N=C2CCCCC2=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066413	0	47	0.0	-79.51	380.23	9.86	-69.65
CCOC(=O)C1=C(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C(C)N1	REAL300012066414	0	50	0.0	-78.96	416.37	10.27	-68.69
CC1=C(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CS1	REAL300012066415	0	40	0.0	-72.79	342.61	10.20	-62.59
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012066416	0	36	0.0	-85.77	333.63	8.56	-77.21
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012066417	0	47	0.0	-79.03	409.06	13.84	-65.19
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(Br)SC=C1	REAL300012066418	0	34	0.0	-69.93	324.04	9.52	-60.41
CCOC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C(F)C=C1OC	REAL300012066419	0	48	0.0	-76.31	401.14	10.03	-66.28
COC1=NC=C(Br)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066420	0	40	0.0	-73.71	363.09	7.26	-66.45
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012066421	0	43	0.0	-79.76	362.56	12.04	-67.72
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CN=C1Br	REAL300012066422	0	36	0.0	-73.72	326.59	8.56	-65.16
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012066423	0	41	0.0	-76.41	367.11	9.81	-66.60
CC(C)OC1=CC=C(F)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066424	0	47	0.0	-71.96	390.36	10.85	-61.11
CCOC1=CC(F)=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066425	0	44	0.0	-77.83	373.80	10.16	-67.67
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012066426	0	51	0.0	-86.21	412.04	10.88	-75.33
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012066427	0	41	0.0	-75.44	360.84	9.47	-65.97
CC(C)(C)OC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066428	0	50	0.0	-74.17	396.43	11.01	-63.16
CC1=C(Cl)C=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066429	0	40	0.0	-75.27	344.89	10.93	-64.34
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C(F)C=C1C	REAL300012066430	0	44	0.0	-73.07	370.14	9.95	-63.12
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=C1Br	REAL300012066431	0	43	0.0	-75.08	367.13	11.57	-63.51
CC1=CC=NC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1Br	REAL300012066432	0	39	0.0	-67.89	347.67	9.12	-58.77
CC(C)(C)C1=CSC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066433	0	45	0.0	-72.58	381.61	9.59	-62.99
COCCC1=NC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066434	0	43	0.0	-77.21	377.89	7.66	-69.55
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012066435	1	38	0.0	-78.11	338.24	7.23	-70.88
CN1N=C2CCSCC2=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066436	0	45	0.0	-81.64	380.46	9.53	-72.11
CCN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012066437	0	50	0.0	-74.48	416.88	11.91	-62.57
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012066438	0	45	0.0	-74.99	362.80	9.84	-65.15
COCC1=C(C)C=C(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1C	REAL300012066439	0	53	0.0	-74.09	417.55	11.10	-62.99
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012066440	0	39	0.0	-90.19	343.79	10.42	-79.77
CC1=C(Br)C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066441	0	37	0.0	-74.42	348.62	10.37	-64.05
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012066442	0	47	0.0	-78.14	406.98	13.80	-64.34
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012066443	0	42	0.0	-80.53	352.13	10.12	-70.41
CCCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300012066444	0	50	0.0	-75.85	408.96	11.64	-64.21
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012066445	0	41	0.0	-82.29	352.08	8.29	-74.00
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1CN1C=CC=N1	REAL300012066446	0	51	0.0	-80.35	428.13	10.86	-69.49
CCOC1=CC=CC(F)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066447	0	44	0.0	-67.19	371.36	10.18	-57.01
CC1=CC=C(Br)C(F)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066448	0	40	0.0	-74.16	358.11	11.06	-63.10
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012066449	0	42	0.0	-86.22	354.52	10.93	-75.29
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066450	0	45	0.0	-84.66	372.71	11.41	-73.25
COC1=CC=C(CN2C=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])N=N2)C=C1	REAL300012066451	0	50	0.0	-82.84	423.70	9.52	-73.32
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(F)=C1OC	REAL300012066452	0	45	0.0	-78.46	384.08	9.21	-69.25
COC(=O)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300012066453	0	43	0.0	-81.18	376.37	10.56	-70.62
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012066454	0	47	0.0	-77.31	402.68	10.25	-67.06
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012066455	0	51	0.0	-77.37	427.31	13.14	-64.23
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012066456	0	44	0.0	-71.44	378.98	10.49	-60.95
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Cl)C=N1	REAL300012066457	0	36	0.0	-75.38	327.76	8.54	-66.84
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066458	0	53	0.0	-77.22	431.35	12.87	-64.35
CC1=CC(C#N)=CC(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066459	0	44	0.0	-81.72	369.95	11.31	-70.41
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(CCF)N=C1	REAL300012066460	0	40	0.0	-78.85	346.97	8.67	-70.18
CC(C)(C)C1=COC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066461	1	45	0.0	-74.68	373.58	7.24	-67.44
CCCC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066462	0	46	0.0	-73.22	380.42	12.09	-61.13
CC1=C2C=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])C=NC2=NN1	REAL300012066463	0	42	0.0	-88.86	359.10	8.39	-80.47
CS(=O)(=O)NC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066464	0	45	0.0	-86.44	389.62	6.58	-79.86
CN1N=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C21	REAL300012066465	0	43	0.0	-75.18	365.98	9.79	-65.39
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012066466	0	40	0.0	-84.11	342.92	8.49	-75.62
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NNC2=CC=CC=C21	REAL300012066466	1	40	0.0	-75.32	343.12	8.50	-66.82
CN1C(Cl)=NC(Cl)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066467	0	37	0.0	-79.94	349.49	9.15	-70.79
CCC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066468	0	40	0.0	-72.10	349.63	10.55	-61.55
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012066469	0	42	0.0	-73.58	353.76	10.16	-63.42
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N2C=CC=CC2=N1	REAL300012066470	0	43	0.0	-80.33	362.51	10.84	-69.49
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066471	1	57	0.0	-73.43	437.82	11.95	-61.48
CCC1=NC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066472	0	39	0.0	-75.32	344.22	8.59	-66.73
COC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])SC=C1	REAL300012066473	0	38	0.0	-68.44	336.16	8.28	-60.16
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012066474	0	43	0.0	-81.52	372.22	8.11	-73.41
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CSC=C1Cl	REAL300012066475	0	34	0.0	-70.70	320.67	9.28	-61.42
CC1=NN2C(=NC(C)=C2C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066476	0	42	0.0	-76.60	370.38	9.05	-67.55
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066477	0	48	0.0	-76.42	412.35	10.34	-66.08
CCCC(C[NH2+]CCSC1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300012066478	0	49	0.0	-72.71	393.26	12.50	-60.21
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012066479	0	42	0.0	-66.07	369.79	10.80	-55.27
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1CC2CCC1C2	REAL300012066480	0	44	0.0	-73.90	340.67	10.50	-63.40
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)N=C1	REAL300012066481	0	36	0.0	-83.61	317.29	8.03	-75.58
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012066482	0	37	0.0	-79.05	346.91	10.18	-68.87
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1(C(F)F)CC1	REAL300012066483	0	37	0.0	-77.64	315.70	9.43	-68.21
CN(C)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C(F)(F)F)=C1	REAL300012066484	0	48	0.0	-77.52	395.25	11.32	-66.20
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066485	0	47	0.0	-77.79	397.77	12.49	-65.30
CC1=CN=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N1C	REAL300012066486	0	40	0.0	-75.62	336.35	8.72	-66.90
CC(C)C1CCC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])CC1	REAL300012066487	0	52	0.0	-73.57	385.92	11.66	-61.91
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012066488	0	40	0.0	-81.28	375.94	11.21	-70.07
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066489	0	48	0.0	-79.34	402.17	11.26	-68.08
COCC1=CC=CC=C1C=C(C)C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066490	0	51	0.0	-78.40	414.55	11.47	-66.93
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066491	0	47	0.0	-72.13	388.37	10.69	-61.44
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012066492	0	46	0.0	-83.64	390.12	11.53	-72.11
CCC1=NOC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066493	0	39	0.0	-80.07	333.40	8.63	-71.44
CN1N=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300012066494	0	37	0.0	-73.50	334.67	8.00	-65.50
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012066495	0	39	0.0	-81.03	338.68	7.35	-73.68
COC1=CC=C(N2C=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])C=N2)C=C1	REAL300012066496	0	48	0.0	-81.47	404.36	10.37	-71.10
CC1=CN=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066497	0	39	0.0	-77.48	326.19	8.71	-68.77
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012066498	0	39	0.0	-81.66	355.45	7.85	-73.81
O=C([O-])C1=CC=CC=C1SCC[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012066499	0	44	0.0	-75.83	365.21	11.99	-63.84
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NC=C1Br	REAL300012066500	0	36	0.0	-73.73	326.89	8.68	-65.05
CS(=O)(=O)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066501	0	40	0.0	-84.16	369.12	6.56	-77.60
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012066502	0	43	0.0	-71.86	368.21	10.56	-61.30
NS(=O)(=O)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300012066503	0	42	0.0	-84.14	375.78	4.86	-79.28
CC(C)N1C=CN=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066505	0	43	0.0	-74.51	356.89	9.68	-64.83
CC1=C(Br)C=NC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066506	0	39	0.0	-78.30	344.49	9.23	-69.07
CN1N=CC(C(F)(F)F)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066507	0	40	0.0	-78.01	353.68	8.47	-69.54
CN1N=CC(C2CC2)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066508	0	44	0.0	-78.68	366.75	9.51	-69.17
CN1N=CC(C2CCC2)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066509	0	47	0.0	-79.24	383.12	10.01	-69.23
CC1=NC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N1C	REAL300012066510	0	40	0.0	-78.34	336.57	8.83	-69.51
CC1=C2C=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])NC2=CC=C1	REAL300012066511	0	44	0.0	-78.31	368.87	10.46	-67.85
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012066512	0	43	0.0	-78.37	367.29	9.01	-69.36
CC1=CC=C2C=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])NC2=C1	REAL300012066513	0	44	0.0	-78.06	369.29	10.47	-67.59
CC1=NC=CN=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066514	0	38	0.0	-75.15	323.01	6.68	-68.47
CCOC1=CN=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066515	0	43	0.0	-78.23	362.32	8.27	-69.96
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NC=C1Cl	REAL300012066516	0	36	0.0	-74.40	323.29	8.58	-65.82
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012066517	0	48	0.0	-82.46	391.69	8.50	-73.96
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC2=NNC=C21	REAL300012066518	0	40	0.0	-83.36	342.15	8.57	-74.79
CCC(F)(F)C(C)(C)C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066519	0	45	0.0	-74.90	355.54	10.24	-64.66
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NC(F)=C1	REAL300012066520	0	36	0.0	-83.89	317.34	8.04	-75.85
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012066521	0	41	0.0	-76.48	347.40	9.90	-66.58
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012066522	0	40	0.0	-84.17	348.65	7.35	-76.82
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012066523	0	39	0.0	-81.87	345.45	8.95	-72.92
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066524	0	46	0.0	-77.50	387.87	10.31	-67.19
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012066525	0	47	0.0	-81.38	390.50	7.32	-74.06
COC1=CN=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1C	REAL300012066526	0	43	0.0	-77.38	354.54	8.04	-69.34
CC1=CC(C)=C(C=CC[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300012066527	0	50	0.0	-76.60	406.06	13.00	-63.60
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012066528	0	47	0.0	-79.16	391.04	7.46	-71.70
CCCN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N=N1	REAL300012066529	0	42	0.0	-78.46	355.76	7.98	-70.48
CN(C)C1=CC=C(F)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066530	0	45	0.0	-71.93	373.65	9.96	-61.97
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(C2CC2)C=N1	REAL300012066531	0	41	0.0	-71.67	347.40	10.53	-61.14
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012066532	0	42	0.0	-86.28	363.45	10.31	-75.97
CC1=CC(C)=C(C=CC[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300012066533	0	50	0.0	-76.31	402.96	12.90	-63.41
CC1=NSC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066534	0	36	0.0	-78.32	322.59	8.29	-70.03
NS(=O)(=O)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066535	0	42	0.0	-86.62	370.21	4.83	-81.79
CCN1N=CN=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066536	1	39	0.0	-78.95	329.42	9.04	-69.91
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(C2CC2)O1	REAL300012066537	0	40	0.0	-76.89	344.75	7.18	-69.71
CCC1=CNC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066538	0	40	0.0	-75.99	338.81	7.94	-68.05
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012066539	0	46	0.0	-71.78	368.99	10.37	-61.41
CC1=NN(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300012066540	0	40	0.0	-77.46	355.12	8.53	-68.93
CN1C=CC(C2=NC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CS2)=N1	REAL300012066541	0	43	0.0	-77.79	385.65	8.34	-69.45
CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2CCCC2)=N1	REAL300012066542	0	50	0.0	-77.65	404.35	10.78	-66.87
CC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1Br	REAL300012066543	0	40	0.0	-69.48	350.52	10.99	-58.49
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012066544	0	48	0.0	-77.46	411.16	12.79	-64.67
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012066545	0	45	0.0	-76.43	369.74	10.50	-65.93
CN(C)C(=O)C1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066546	0	47	0.0	-80.06	388.20	9.72	-70.34
CCC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(Cl)=NN1	REAL300012066547	0	40	0.0	-73.47	349.30	8.07	-65.40
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012066548	0	41	0.0	-73.84	362.39	8.82	-65.02
CCC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=NO1	REAL300012066549	0	42	0.0	-79.16	354.79	9.44	-69.72
CCN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N=N1	REAL300012066550	0	39	0.0	-78.64	334.26	7.22	-71.42
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C2CCCCC2=N1	REAL300012066551	0	49	0.0	-78.93	388.61	11.06	-67.87
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012066552	0	52	0.0	-69.58	409.86	11.92	-57.66
CCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])O1	REAL300012066553	0	41	0.0	-75.96	351.65	9.38	-66.58
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012066554	1	36	0.0	-77.92	341.68	7.98	-69.94
CCN1C=NC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066555	0	40	0.0	-71.62	339.91	10.05	-61.57
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CN=C1F	REAL300012066556	0	39	0.0	-83.65	337.67	8.65	-75.00
CC1=CC(F)=NC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066557	0	39	0.0	-81.71	332.55	8.66	-73.05
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012066558	0	40	0.0	-84.58	355.47	10.84	-73.74
COC(=O)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1C	REAL300012066559	0	46	0.0	-82.75	386.87	11.07	-71.68
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300012066560	0	44	0.0	-75.15	360.30	9.80	-65.35
CC1=C(Cl)C=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300012066561	0	40	0.0	-73.38	361.48	11.34	-62.04
N#CC1=CC=C(Br)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066562	0	38	0.0	-76.99	352.25	10.85	-66.14
CC1CC2=CC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CC=C2O1	REAL300012066563	0	45	0.0	-77.76	373.05	10.48	-67.28
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012066564	0	40	0.0	-80.60	347.78	7.37	-73.23
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC2=C1OCC2	REAL300012066565	0	42	0.0	-70.79	351.78	9.70	-61.09
CSCC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066566	0	44	0.0	-75.83	382.16	11.76	-64.07
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012066567	0	47	0.0	-76.87	388.27	10.62	-66.25
CN1N=C2CCOCC2=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066568	0	45	0.0	-81.45	371.34	7.47	-73.98
CN1N=C2CCCC2=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066569	0	44	0.0	-79.52	362.76	9.34	-70.18
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NN1C1CCC1	REAL300012066570	0	44	0.0	-79.05	364.81	9.66	-69.39
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012066571	0	44	0.0	-76.57	364.20	9.65	-66.92
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066572	0	50	0.0	-70.49	418.41	11.43	-59.06
COC(=O)COC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066573	0	47	0.0	-72.54	400.48	10.83	-61.71
COC1=CC=C(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066574	0	44	0.0	-73.63	360.35	9.78	-63.85
CN1C=NC2=CC=CC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=C21	REAL300012066575	0	43	0.0	-79.98	354.43	11.12	-68.86
CCC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066576	0	43	0.0	-71.99	349.52	11.16	-60.83
CN(C)C(=O)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066577	0	47	0.0	-85.44	387.08	9.72	-75.72
CC1=CC(F)=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066578	0	40	0.0	-77.29	343.85	10.61	-66.68
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=C1C	REAL300012066579	0	46	0.0	-72.05	365.59	11.60	-60.45
CCNC(=O)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066580	0	47	0.0	-84.80	393.99	9.00	-75.80
CC(C)(C)C1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066581	0	49	0.0	-67.56	370.36	12.21	-55.35
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C2CCCCCN12	REAL300012066582	0	47	0.0	-77.89	372.05	10.27	-67.62
COC1=CC=C2SC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CC2=C1	REAL300012066583	0	44	0.0	-76.72	382.97	10.70	-66.02
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CON=C1C1CC1	REAL300012066584	0	40	0.0	-80.38	344.11	9.48	-70.90
CCN(CC)C(=O)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066585	0	53	0.0	-85.00	427.04	11.61	-73.39
CCN1CCC2=CC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300012066586	0	49	0.0	-75.43	388.48	10.00	-65.43
CCN(C)C(=O)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066587	0	50	0.0	-85.17	408.91	10.73	-74.44
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=NN1C(C)C	REAL300012066588	0	46	0.0	-75.80	378.04	9.71	-66.09
CSC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1Cl	REAL300012066589	0	41	0.0	-79.60	371.26	11.34	-68.26
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1C1CC1	REAL300012066590	0	47	0.0	-73.78	383.06	12.49	-61.29
CCOC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=N1	REAL300012066591	0	43	0.0	-79.46	364.98	7.51	-71.95
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1C1CC1	REAL300012066592	0	47	0.0	-73.69	383.07	12.49	-61.20
CC1=NN(C2=CC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])C(C)=C2)C=C1	REAL300012066593	0	50	0.0	-81.25	411.13	12.26	-68.99
COC(=O)C1=CC2=C(C=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])O2)N1	REAL300012066594	0	44	0.0	-83.30	384.62	8.66	-74.64
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])O1	REAL300012066595	0	38	0.0	-76.13	329.79	8.44	-67.69
COCCOC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])O1	REAL300012066596	0	45	0.0	-78.19	385.27	8.62	-69.57
CC1=NN(C(C)C)C(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066597	0	49	0.0	-75.86	399.48	10.18	-65.68
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NN(CCF)C=C1	REAL300012066598	0	40	0.0	-74.09	347.03	8.59	-65.50
CCN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=N1	REAL300012066599	0	43	0.0	-76.77	360.03	9.13	-67.64
CC1=CC=C(C2=CC=CC=C2C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300012066600	0	53	0.0	-68.61	426.55	14.36	-54.25
CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2CC2)=N1	REAL300012066601	0	44	0.0	-77.45	370.91	9.85	-67.60
COC(=O)C1=C2COCCN2C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066602	0	49	0.0	-85.73	409.45	9.23	-76.50
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012066603	0	54	0.0	-86.29	430.84	11.80	-74.49
CN1N=C(C2CC2)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066604	0	44	0.0	-80.13	368.36	9.52	-70.61
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066605	0	47	0.0	-82.21	387.40	12.79	-69.42
CC(C)C1=NOC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066606	0	42	0.0	-80.17	354.27	9.16	-71.01
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012066607	0	41	0.0	-73.56	372.24	8.79	-64.77
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012066608	0	47	0.0	-78.82	388.31	6.33	-72.49
COC1=NC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1F	REAL300012066609	0	40	0.0	-78.65	348.71	6.62	-72.03
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN2C=CN=C2S1	REAL300012066610	0	37	0.0	-85.07	333.42	9.83	-75.24
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012066611	0	49	0.0	-73.44	398.72	11.43	-62.01
CC1=C(C)SC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066612	0	39	0.0	-72.38	341.51	8.32	-64.06
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012066613	0	46	0.0	-80.42	394.19	10.22	-70.20
CC(C)(C)OC(=O)N1CCC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])CC1	REAL300012066614	0	57	0.0	-83.76	439.75	10.91	-72.85
CC1=CC(Br)=CN=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066615	0	39	0.0	-74.09	348.59	9.21	-64.88
CC1OC2=CC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])C=C2C1C	REAL300012066616	0	48	0.0	-77.86	389.42	10.97	-66.89
CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OC(F)F	REAL300012066617	0	44	0.0	-74.77	375.37	10.20	-64.57
CC(C)CC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066618	0	49	0.0	-71.84	385.81	12.28	-59.56
CN1N=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1S(C)(=O)=O	REAL300012066619	1	43	0.0	-83.76	368.46	5.22	-78.54
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])NN=C1C(F)(F)F	REAL300012066620	0	40	0.0	-84.49	353.76	7.82	-76.67
CC(C)CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N=N1	REAL300012066621	0	45	0.0	-78.20	375.55	8.73	-69.47
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NC(C2CC2)=CS1	REAL300012066622	0	40	0.0	-73.24	351.67	9.08	-64.16
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012066623	0	37	0.0	-84.96	337.10	7.21	-77.75
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C2CCOC2=C1	REAL300012066624	0	42	0.0	-76.42	351.89	9.72	-66.70
CN1C=C(Cl)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066625	1	37	0.0	-70.71	335.48	8.08	-62.63
CS(=O)(=O)C1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=CS1	REAL300012066626	1	40	0.0	-80.58	355.65	6.78	-73.80
CSC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066627	0	41	0.0	-74.98	356.25	10.88	-64.10
CC(C)C1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])N(C)N=C1	REAL300012066628	0	46	0.0	-78.93	378.20	9.36	-69.57
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC(C)=N1	REAL300012066629	0	42	0.0	-79.02	354.14	9.32	-69.70
CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012066630	0	47	0.0	-75.75	401.77	11.12	-64.63
CCCN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=N1	REAL300012066631	0	46	0.0	-76.60	381.53	9.89	-66.71
CCN1C=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066632	0	40	0.0	-72.32	340.44	8.45	-63.87
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012066633	0	39	0.0	-80.22	338.67	8.59	-71.63
CC1=C(C)OC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066634	1	39	0.0	-74.50	334.60	6.03	-68.47
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012066635	0	44	0.0	-72.37	381.23	12.12	-60.25
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012066636	0	45	0.0	-77.00	376.58	10.84	-66.16
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012066637	0	41	0.0	-75.97	367.58	9.68	-66.29
CC1=NC=CN1C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300012066638	0	50	0.0	-83.06	410.60	12.95	-70.11
CC1=C(C)N(C2=CC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])C=C2)C=N1	REAL300012066639	0	50	0.0	-84.46	413.76	13.48	-70.98
CNC(=O)C1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066640	0	44	0.0	-80.37	372.51	8.14	-72.23
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012066641	0	51	0.0	-74.30	410.99	13.90	-60.40
CCNC(=O)C1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066643	0	47	0.0	-79.84	394.00	8.98	-70.86
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012066644	0	43	0.0	-78.36	370.73	11.09	-67.27
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012066645	0	44	0.0	-79.45	363.15	8.78	-70.67
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066646	0	47	0.0	-82.32	396.11	10.99	-71.33
CCCN1C=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066647	0	43	0.0	-72.18	361.94	9.21	-62.97
CC(C)N1C=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066648	0	43	0.0	-71.72	359.12	8.96	-62.76
CC(C)(C)C1=CN=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066649	0	48	0.0	-77.25	387.43	10.37	-66.88
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012066650	0	40	0.0	-77.08	358.32	8.94	-68.14
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012066651	0	47	0.0	-73.30	388.85	11.91	-61.39
CN1C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=NC2=C1CCCC2	REAL300012066652	0	47	0.0	-75.55	378.75	10.55	-65.00
COC1=NC(Cl)=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066653	0	40	0.0	-76.78	358.68	7.06	-69.72
CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C(F)(F)F)=N1	REAL300012066654	0	40	0.0	-76.89	352.81	8.65	-68.24
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012066655	0	40	0.0	-75.37	351.86	10.74	-64.63
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC2=C1COCC2	REAL300012066656	0	45	0.0	-75.63	362.75	9.87	-65.76
CCOC1=CC=C(Cl)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066657	0	44	0.0	-71.09	382.75	10.68	-60.41
COC1=NN(C)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066658	0	41	0.0	-75.04	351.75	5.61	-69.43
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NC2=C(COCC2)S1	REAL300012066659	0	41	0.0	-74.69	355.45	7.21	-67.48
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012066660	0	44	0.0	-76.31	378.67	9.81	-66.50
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012066661	0	44	0.0	-73.30	360.31	10.70	-62.60
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012066662	0	39	0.0	-88.94	350.66	10.61	-78.33
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012066663	0	50	0.0	-76.29	400.70	10.92	-65.37
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012066664	0	44	0.0	-75.91	389.91	11.35	-64.56
CN(CCO)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012066665	0	48	0.0	-77.55	395.61	7.44	-70.11
COC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012066666	0	53	0.0	-69.99	409.71	11.61	-58.38
CN1C=C(Br)N=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066667	0	37	0.0	-79.11	337.39	8.73	-70.38
COC1=CC(C)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012066668	0	43	0.0	-78.47	358.31	7.19	-71.28
COC1=CC(C)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1O	REAL300012066669	0	45	0.0	-78.42	371.04	7.62	-70.80
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012066670	0	43	0.0	-79.55	372.79	8.99	-70.56
CN1C(=O)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC2=CC=CC=C21	REAL300012066671	0	46	0.0	-75.71	383.38	10.66	-65.05
COC1=NC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1C	REAL300012066672	0	43	0.0	-74.72	363.34	7.26	-67.46
CCCN1C=NC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066673	0	43	0.0	-75.41	354.31	10.76	-64.65
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CNC1=O	REAL300012066674	0	37	0.0	-74.59	319.65	6.79	-67.80
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012066675	0	44	0.0	-82.70	373.14	9.82	-72.88
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012066676	0	50	0.0	-73.18	407.15	13.39	-59.79
CCC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=NN1CC	REAL300012066677	0	46	0.0	-74.07	375.40	9.79	-64.28
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012066678	0	37	0.0	-71.64	342.83	10.41	-61.23
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(C2CC2)=NN1	REAL300012066679	0	41	0.0	-79.71	347.63	8.34	-71.37
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012066680	0	41	0.0	-85.97	359.74	9.42	-76.55
COC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=CS1	REAL300012066681	0	38	0.0	-69.67	337.58	8.30	-61.37
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012066682	0	40	0.0	-72.75	355.38	9.66	-63.09
CC(F)(F)C1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066683	0	43	0.0	-76.75	369.24	11.39	-65.36
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012066684	0	43	0.0	-79.87	378.96	10.65	-69.22
CN1C=C(C2=NNC=C2C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012066685	0	44	0.0	-77.44	376.40	7.57	-69.87
CCCN1N=C(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300012066686	0	46	0.0	-73.19	397.49	10.14	-63.05
CC(C)(C#N)C1=NC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])S1	REAL300012066687	0	43	0.0	-78.50	382.71	9.22	-69.28
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012066688	0	37	0.0	-77.51	333.28	10.05	-67.46
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012066689	0	44	0.0	-76.30	381.60	12.30	-64.00
CC(C)(C)C1=NNC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066690	0	46	0.0	-79.02	378.00	8.71	-70.31
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012066691	0	43	0.0	-77.65	373.71	12.51	-65.14
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012066692	0	54	0.0	-69.30	425.54	12.71	-56.59
C=CCC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066693	0	44	0.0	-72.97	363.16	11.74	-61.23
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012066694	0	57	0.0	-74.73	446.17	13.39	-61.34
CCN1CCCC2=CC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=CC=C21	REAL300012066695	0	52	0.0	-74.22	405.25	11.01	-63.21
COCC1=CN=C(OC)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066696	0	47	0.0	-72.71	395.93	6.41	-66.30
CN1N=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1Br	REAL300012066697	0	37	0.0	-73.04	338.80	8.09	-64.95
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC=CC1=CC=CC=C1	REAL300012066698	0	41	0.0	-76.09	347.08	11.17	-64.92
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN=NN1C1CC1	REAL300012066699	0	40	0.0	-84.55	342.52	7.88	-76.67
COCC1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066700	0	44	0.0	-74.98	362.47	9.72	-65.26
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012066701	0	41	0.0	-79.12	372.44	11.33	-67.79
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012066702	0	50	0.0	-78.55	409.24	10.54	-68.01
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012066703	0	45	0.0	-76.06	369.74	9.96	-66.10
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(CCO)N=C1	REAL300012066704	0	41	0.0	-78.92	351.80	5.18	-73.74
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012066705	0	43	0.0	-76.79	376.58	12.00	-64.79
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012066706	0	43	0.0	-85.19	370.65	8.04	-77.15
COC1=CC=C(F)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1OC	REAL300012066707	0	45	0.0	-69.32	381.44	9.19	-60.13
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC=CC1=CC=NC=C1	REAL300012066708	0	40	0.0	-80.86	342.10	9.40	-71.46
CN1C=CC(C2=NNC=C2C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066709	0	44	0.0	-71.86	376.29	7.93	-63.93
CC1=CC=C(F)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1Br	REAL300012066710	0	40	0.0	-67.32	357.63	10.96	-56.36
C=CC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066711	0	41	0.0	-74.46	347.16	10.96	-63.50
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012066712	0	51	0.0	-74.40	415.63	12.22	-62.18
CC(F)(F)C1=CC=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066713	0	43	0.0	-73.89	356.55	11.39	-62.50
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC=C1OCCO	REAL300012066714	0	49	0.0	-82.92	408.01	6.91	-76.01
CCN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2CC2)=N1	REAL300012066715	0	47	0.0	-77.12	392.45	10.72	-66.40
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1OCCO	REAL300012066716	0	49	0.0	-82.46	408.01	6.91	-75.55
CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012066717	0	47	0.0	-78.18	400.58	8.82	-69.36
CC(C)(C)C1=NOC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066718	0	45	0.0	-83.85	363.63	9.63	-74.22
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012066719	0	42	0.0	-81.48	357.03	10.35	-71.13
CC1=CC2=CC=CC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=C2O1	REAL300012066720	0	43	0.0	-72.64	365.26	11.02	-61.62
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012066721	0	40	0.0	-83.47	349.88	10.97	-72.50
COC1=CSC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1OC	REAL300012066722	0	42	0.0	-72.88	368.80	7.91	-64.97
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CON=C1C1CCC1	REAL300012066723	0	43	0.0	-80.40	360.74	9.95	-70.45
CS(=O)(=O)C1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])SC=C1	REAL300012066724	0	40	0.0	-78.09	358.09	6.50	-71.59
CS(=O)(=O)C1=COC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066725	0	40	0.0	-86.37	359.86	5.47	-80.90
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012066726	0	40	0.0	-78.00	360.33	10.90	-67.10
CC(C)OC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300012066727	0	47	0.0	-81.11	391.56	10.80	-70.31
CCN1C=C(Cl)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066728	1	40	0.0	-70.36	357.01	8.94	-61.42
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012066729	0	37	0.0	-79.72	342.63	10.46	-69.26
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012066730	0	40	0.0	-76.47	348.21	10.73	-65.74
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012066731	0	43	0.0	-73.60	366.55	12.13	-61.47
CS(=O)(=O)C1=CSC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066732	0	40	0.0	-81.60	368.27	6.47	-75.13
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CSC(Cl)=C1	REAL300012066733	0	34	0.0	-76.70	323.06	9.43	-67.27
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=NN1C1CCC1	REAL300012066734	0	47	0.0	-75.87	383.74	10.35	-65.52
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012066735	0	44	0.0	-79.12	391.60	11.60	-67.52
CC1=NN(C2CCCC2)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066736	0	50	0.0	-79.53	404.13	10.95	-68.58
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NN1CC(F)F	REAL300012066737	0	40	0.0	-83.85	346.93	8.67	-75.18
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066738	0	47	0.0	-78.87	395.45	10.56	-68.31
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012066739	0	40	0.0	-82.45	357.51	11.34	-71.11
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012066740	0	36	0.0	-71.38	330.55	8.48	-62.90
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012066741	0	44	0.0	-79.69	381.28	11.15	-68.54
CN(C)C1=CN=CC(F)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066742	0	44	0.0	-70.84	369.87	7.96	-62.88
COC1=NC(C)=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=C1Cl	REAL300012066743	0	46	0.0	-80.60	390.46	8.10	-72.50
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066744	1	46	0.0	-77.80	390.95	10.20	-67.60
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012066745	0	44	0.0	-71.79	364.26	9.56	-62.23
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012066746	0	40	0.0	-75.79	353.43	8.74	-67.05
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012066747	0	41	0.0	-75.88	361.95	9.31	-66.57
CC1=NN(C2CCCCC2)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066748	0	53	0.0	-76.05	420.35	11.51	-64.54
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012066749	0	48	0.0	-77.45	391.46	8.52	-68.93
CC1=NN(C2CCOCC2)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066750	0	51	0.0	-77.11	411.11	9.11	-68.00
CC1=CN(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066751	0	40	0.0	-75.83	337.61	8.84	-66.99
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012066752	0	47	0.0	-71.54	381.83	10.23	-61.31
NS(=O)(=O)C1=CSC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066753	0	39	0.0	-82.44	361.79	3.88	-78.56
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012066754	0	36	0.0	-70.43	341.88	8.95	-61.48
CC1=NSC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066755	0	36	0.0	-78.86	316.91	8.09	-70.77
CC1=NN(C2CCCC2)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066756	0	50	0.0	-76.14	401.38	10.91	-65.23
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1C(F)F	REAL300012066757	0	40	0.0	-73.94	339.68	10.85	-63.09
CC1=CC(Br)=C(F)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066758	0	40	0.0	-74.54	362.56	11.19	-63.35
COC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1Br	REAL300012066759	0	41	0.0	-71.57	360.93	9.77	-61.80
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012066760	0	40	0.0	-82.71	342.29	8.59	-74.12
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012066761	0	37	0.0	-79.97	343.06	10.48	-69.49
CC1=C(F)C=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066762	0	40	0.0	-76.41	336.15	10.52	-65.89
CN1C=C(C2=CC=CC(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])=C2)C=N1	REAL300012066763	0	47	0.0	-78.75	396.16	11.16	-67.59
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012066764	0	47	0.0	-95.08	402.60	12.27	-82.81
CC1=CC=C(Br)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066765	0	40	0.0	-74.88	352.16	11.11	-63.77
COC1=C(C#N)C=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066766	0	42	0.0	-80.68	365.81	9.67	-71.01
COC1=NC2=CC=C(C[NH2+]CCSC3=CC=CC=C3C(=O)[O-])C=C2S1	REAL300012066767	0	43	0.0	-82.36	380.44	7.69	-74.67
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=NC(Br)=C1	REAL300012066768	0	36	0.0	-82.26	332.38	8.60	-73.66
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012066769	0	37	0.0	-74.68	349.49	10.88	-63.80
CC1=NC(Cl)=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066770	0	39	0.0	-81.12	342.84	9.10	-72.02
CC(C)(C)COC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066771	0	53	0.0	-74.04	427.83	12.21	-61.83
COC1=CC(Cl)=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066772	0	41	0.0	-77.06	362.27	9.68	-67.38
COC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CC(F)=C1F	REAL300012066773	0	41	0.0	-87.07	358.05	9.30	-77.77
COC1=CC(C)=NC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066774	0	43	0.0	-72.67	361.24	8.08	-64.59
CC(C)N1C=NC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066775	0	43	0.0	-71.21	359.53	10.44	-60.77
CN1N=CC=C1C1=NNC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066776	0	44	0.0	-78.82	377.68	7.52	-71.30
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2CC2)=NO1	REAL300012066777	0	43	0.0	-79.08	365.30	10.27	-68.81
COC(=O)C1=C(C)NC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1C	REAL300012066778	0	47	0.0	-83.58	398.75	9.61	-73.97
CC(C)OC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])O1	REAL300012066779	0	44	0.0	-75.79	371.95	10.10	-65.69
CC1=CC(Br)=CC(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066780	0	43	0.0	-75.74	370.50	11.55	-64.19
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012066781	0	40	0.0	-70.25	356.11	8.94	-61.31
N#CC1=CC(F)=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066782	0	38	0.0	-86.38	343.30	10.32	-76.06
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012066783	0	53	0.0	-73.20	417.88	13.68	-59.52
COC1=CC=CC=C1C=CC[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066784	0	45	0.0	-76.28	375.45	10.53	-65.75
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])SC(Br)=C1	REAL300012066785	0	37	0.0	-74.75	346.46	10.28	-64.47
CC1=NN(C2CCC2)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066786	0	47	0.0	-76.43	383.79	10.24	-66.19
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=NN1CC(F)F	REAL300012066787	0	43	0.0	-77.55	370.17	9.28	-68.27
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012066788	0	45	0.0	-81.60	385.22	10.21	-71.39
CCCN1N=C(C)C(Cl)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066789	0	46	0.0	-76.82	398.42	10.14	-66.68
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066790	0	44	0.0	-83.45	379.34	9.12	-74.33
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012066791	0	50	0.0	-74.89	418.83	14.33	-60.56
CCCCC(=O)NC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066792	0	53	0.0	-80.34	435.70	11.12	-69.22
COC1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=N1	REAL300012066793	0	43	0.0	-78.80	358.14	7.16	-71.64
CCN(C)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C)=C1	REAL300012066794	0	51	0.0	-71.69	404.11	11.85	-59.84
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012066795	0	34	0.0	-73.57	337.50	9.90	-63.67
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066796	0	58	0.0	-72.92	445.02	12.05	-60.87
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=NS1	REAL300012066797	0	36	0.0	-78.58	318.78	8.29	-70.29
COC1=CC(C)=CC(OC)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066798	0	48	0.0	-66.00	393.75	9.24	-56.76
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(CF)C=C1	REAL300012066799	0	40	0.0	-76.60	344.02	10.69	-65.91
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012066800	0	40	0.0	-78.31	352.96	11.24	-67.07
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012066801	0	46	0.0	-79.79	385.45	11.54	-68.25
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1CO	REAL300012066802	0	41	0.0	-76.49	340.21	7.31	-69.18
CC1=NSC(C)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066803	0	39	0.0	-78.73	338.60	8.71	-70.02
CC(C)(C)C1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=NO1	REAL300012066804	0	45	0.0	-75.70	359.22	9.91	-65.79
CC1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1C(F)(F)F	REAL300012066805	0	43	0.0	-77.48	360.88	11.49	-65.99
C=CCN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=N1	REAL300012066806	0	41	0.0	-77.18	353.18	9.10	-68.08
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012066807	0	40	0.0	-78.91	342.28	8.59	-70.32
CCC(C)C1=CC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=C1	REAL300012066808	0	49	0.0	-73.27	394.71	12.46	-60.81
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012066809	0	42	0.0	-78.35	381.78	10.22	-68.13
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012066810	0	44	0.0	-76.67	376.97	8.52	-68.15
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066811	0	50	0.0	-76.68	415.50	12.39	-64.29
CC(F)(F)C1=CC=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=N1	REAL300012066812	0	42	0.0	-78.12	365.14	9.82	-68.30
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012066813	0	47	0.0	-73.30	371.38	12.24	-61.06
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066814	0	44	0.0	-79.84	375.90	11.76	-68.08
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012066815	0	40	0.0	-78.29	359.51	10.89	-67.40
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012066816	0	43	0.0	-87.84	368.41	9.78	-78.06
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C=CC2=CC=CC=C21	REAL300012066817	0	46	0.0	-75.00	373.01	12.62	-62.38
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066818	0	55	0.0	-75.70	441.22	11.52	-64.18
COC1=C2C=CNC2=CC=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066819	0	45	0.0	-72.07	376.91	9.29	-62.78
CC1=NC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C(C)S1	REAL300012066820	0	39	0.0	-71.36	341.50	8.28	-63.08
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012066821	0	50	0.0	-76.22	403.64	6.88	-69.34
COC1=CC=C(OC)C(OC)=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066822	0	49	0.0	-68.20	404.27	8.51	-59.69
CCCN1N=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1C	REAL300012066823	0	46	0.0	-76.18	378.94	9.76	-66.42
O=C([O-])C1=CC=CC=C1SCC[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012066824	0	54	0.0	-70.11	424.37	11.72	-58.39
CC1=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012066825	0	45	0.0	-68.95	371.78	10.95	-58.00
CC1=CC(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012066826	0	46	0.0	-83.58	387.60	11.20	-72.38
COC(=O)C1=CN(C)C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])=C1	REAL300012066827	0	44	0.0	-83.28	377.94	9.99	-73.29
CCCN1N=C(C)C=C1C[NH2+]CCSC1=CC=CC=C1C(=O)[O-]	REAL300012066828	0	46	0.0	-77.51	377.18	9.72	-67.79
CN1C=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])C(C2CCC2)=N1	REAL300012066829	0	47	0.0	-77.34	387.23	10.30	-67.04
CC(C)(C)C1=NC=C(C[NH2+]CCSC2=CC=CC=C2C(=O)[O-])O1	REAL300012066830	0	45	0.0	-76.42	375.23	7.37	-69.05
CC1=CC=C(N2C=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C(C(C)(C)C)=N2)C=C1	REAL300012066831	0	59	0.0	-66.73	441.17	11.14	-55.59
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC=CN=C3C=C2)C1=O	REAL300012066832	0	42	0.0	-70.23	338.45	7.39	-62.84
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OCC1=CC=CC=C1	REAL300012066833	0	55	0.0	-70.11	437.84	10.20	-59.91
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066834	1	47	0.0	-66.68	397.22	9.09	-57.59
CC(C)(C)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012066835	0	49	0.0	-61.76	373.53	9.35	-52.41
O=C([O-])CN1CCCC([NH2+]CC2=CNN=C2C2=CC=CC=C2)C1=O	REAL300012066836	0	44	0.0	-69.96	353.59	6.88	-63.08
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Br)O2)C1=O	REAL300012066837	1	34	0.0	-65.81	299.78	5.89	-59.92
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066838	0	47	0.0	-69.10	375.85	8.84	-60.26
N#CCCN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2=CC=CC=C2)=N1	REAL300012066839	0	51	0.0	-63.11	409.94	9.52	-53.59
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OC(F)F	REAL300012066840	0	45	0.0	-70.22	365.84	6.51	-63.71
CCCOC1=CC=C(Br)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066841	0	47	0.0	-59.74	390.20	8.73	-51.01
CCOC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OC	REAL300012066842	0	48	0.0	-68.77	377.93	7.15	-61.62
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)C1=O	REAL300012066843	0	51	0.0	-58.53	407.12	10.38	-48.15
CCCCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012066844	0	53	0.0	-64.48	413.18	9.62	-54.86
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)C1=O	REAL300012066845	0	46	0.0	-72.34	385.77	9.59	-62.75
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)C1=O	REAL300012066846	0	46	0.0	-72.11	385.75	9.60	-62.51
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1Br	REAL300012066847	0	41	0.0	-68.12	347.25	6.99	-61.13
CC(C)OC1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066848	0	47	0.0	-57.75	365.70	7.99	-49.76
CCCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC	REAL300012066849	0	54	0.0	-68.22	420.93	8.73	-59.49
CCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC	REAL300012066850	0	51	0.0	-68.43	399.43	7.95	-60.48
C=CCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC	REAL300012066851	0	49	0.0	-68.87	390.84	7.73	-61.14
CCCCCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC	REAL300012066852	0	60	0.0	-68.02	463.93	10.29	-57.73
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)C1=O	REAL300012066853	0	44	0.0	-66.08	374.30	9.44	-56.64
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)C1=O	REAL300012066854	0	44	0.0	-64.16	374.46	9.48	-54.68
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)C1=O	REAL300012066855	0	44	0.0	-64.26	381.90	10.33	-53.93
O=C([O-])CN1CCCC([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)C1=O	REAL300012066856	0	47	0.0	-67.69	381.57	8.70	-58.99
CCC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C2=CC=CC=C2O1	REAL300012066857	0	46	0.0	-65.34	367.09	8.94	-56.40
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)C1=O	REAL300012066858	0	46	0.0	-68.44	381.70	10.21	-58.23
O=C([O-])CN1CCCC([NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)C1=O	REAL300012066859	1	43	0.0	-64.71	368.58	7.89	-56.82
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2OC(F)(F)F)C1=O	REAL300012066860	0	41	0.0	-61.79	341.85	6.89	-54.90
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(SC(F)(F)F)C=C2)C1=O	REAL300012066861	0	41	0.0	-67.37	353.73	8.50	-58.87
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C([N+](=O)[O-])C=C1O	REAL300012066862	1	44	0.0	-68.30	357.36	4.75	-63.55
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(Cl)=C1	REAL300012066863	1	41	0.0	-62.22	338.74	6.80	-55.42
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C1=O	REAL300012066864	0	41	0.0	-67.41	343.32	6.82	-60.59
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S2)C1=O	REAL300012066865	0	46	0.0	-70.29	393.35	10.48	-59.81
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)C1=O	REAL300012066866	0	46	0.0	-67.08	393.70	10.53	-56.55
O=C([O-])CN1CCCC([NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C1=O	REAL300012066867	0	44	0.0	-58.84	351.01	6.92	-51.92
CC1=CC=C(C2=NNC=C2C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012066868	0	47	0.0	-56.68	365.93	7.54	-49.14
O=C([O-])CN1CCCC([NH2+]CC2=CNN=C2C2=CC=CS2)C1=O	REAL300012066869	0	41	0.0	-64.15	338.86	6.08	-58.07
COC1=CC=C(C2=NNC=C2C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012066870	0	48	0.0	-58.70	374.09	6.15	-52.55
O=C([O-])CN1CCCC([NH2+]CC2=CSC3=CC=CC=C23)C1=O	REAL300012066871	0	40	0.0	-68.24	334.42	8.42	-59.82
CCOC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=NN1CC(C)C	REAL300012066872	1	56	0.0	-59.96	433.00	7.58	-52.38
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC=CC=C3OC2)C1=O	REAL300012066873	0	43	0.0	-67.39	343.36	7.52	-59.87
CC1=CC=C(C2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)O2)C=C1	REAL300012066874	0	47	0.0	-65.34	378.97	9.60	-55.74
CC1=CC=C(C2=NNC=C2C[NH2+]C2CCCN(CC(=O)[O-])C2=O)O1	REAL300012066875	0	44	0.0	-64.31	358.26	6.15	-58.16
O=C([O-])CN1CCCC([NH2+]CC2=CNN=C2C2=CC=CN=C2)C1=O	REAL300012066876	0	43	0.0	-73.39	348.47	5.13	-68.26
O=C([O-])CN1CCCC([NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)C1=O	REAL300012066877	0	50	0.0	-73.09	398.30	6.04	-67.05
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OCC3CCCO3)C=C2)C1=O	REAL300012066878	0	52	0.0	-67.21	405.65	7.64	-59.57
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Cl)S2)C1=O	REAL300012066879	0	34	0.0	-64.37	304.59	6.75	-57.62
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)C1=O	REAL300012066880	0	44	0.0	-64.83	371.58	9.88	-54.95
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC3=CC=CN=C32)C1=O	REAL300012066881	0	42	0.0	-59.76	337.26	7.54	-52.22
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)C1=O	REAL300012066882	0	50	0.0	-63.49	399.93	8.67	-54.82
COC1=NC2=CC=CC=C2C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066883	0	46	0.0	-66.74	368.14	6.03	-60.71
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C1=O	REAL300012066884	0	44	0.0	-70.67	355.68	8.24	-62.43
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C1=O	REAL300012066885	0	43	0.0	-73.06	350.62	9.56	-63.50
CC(C)N1N=CC2=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=C(Cl)N=C21	REAL300012066886	1	48	0.0	-70.60	396.18	8.14	-62.46
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)C1=O	REAL300012066887	0	44	0.0	-64.29	382.10	10.33	-53.96
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OCC1=CC=NC=C1	REAL300012066888	0	54	0.0	-71.82	432.72	8.43	-63.39
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)C1=O	REAL300012066889	0	44	0.0	-65.33	374.54	9.99	-55.34
O=C([O-])CN1CCCC([NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)C1=O	REAL300012066890	1	40	0.0	-62.25	347.96	8.51	-53.74
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(F)C=C2Cl)C1=O	REAL300012066891	1	37	0.0	-64.48	315.66	7.58	-56.90
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(F)C(Cl)=C2)C1=O	REAL300012066892	0	37	0.0	-70.30	319.93	7.59	-62.71
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)C1=O	REAL300012066893	0	40	0.0	-72.64	341.65	8.08	-64.56
CCOC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012066894	0	44	0.0	-63.73	348.69	7.25	-56.48
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=CC=C2Cl)C1=O	REAL300012066895	1	37	0.0	-60.52	325.88	8.02	-52.50
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(F)C=C2C(F)(F)F)C1=O	REAL300012066896	0	40	0.0	-60.81	332.29	8.18	-52.63
O=C([O-])CN1CCCC([NH2+]CC2=CC(F)=C(F)C(F)=C2)C1=O	REAL300012066897	0	37	0.0	-79.01	316.52	7.22	-71.79
O=C([O-])CN1CCCC([NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)C1=O	REAL300012066898	0	40	0.0	-70.45	342.80	8.11	-62.34
O=C([O-])CN1CCCC([NH2+]CC2=CC(C(F)(F)F)=CC=C2F)C1=O	REAL300012066899	1	40	0.0	-63.81	340.55	8.08	-55.73
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(Cl)=C1OC	REAL300012066900	1	45	0.0	-66.81	371.99	6.82	-59.99
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC=CC=C3S2)C1=O	REAL300012066901	0	40	0.0	-68.48	334.90	8.58	-59.90
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Cl)C(F)=C2)C1=O	REAL300012066902	0	37	0.0	-70.44	319.93	7.60	-62.84
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=CC=C2OC(F)F)C1=O	REAL300012066903	0	41	0.0	-64.69	352.04	7.17	-57.52
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C1=O	REAL300012066904	0	44	0.0	-64.29	381.90	10.32	-53.97
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=C2)=C1	REAL300012066905	0	52	0.0	-69.32	429.47	10.69	-58.63
O=C([O-])CN1CCCC([NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)C1=O	REAL300012066906	0	47	0.0	-62.05	370.52	5.41	-56.64
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OCC(F)(F)F	REAL300012066907	0	48	0.0	-71.79	397.51	7.61	-64.18
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C1=O	REAL300012066908	0	50	0.0	-67.99	403.47	8.55	-59.44
CC(C)C1=NN(C)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066909	0	46	0.0	-66.65	362.50	6.68	-59.97
O=C([O-])CN1CCCC([NH2+]CC2=CC(Br)=C3OCCOC3=C2)C1=O	REAL300012066910	0	43	0.0	-69.28	362.18	6.85	-62.43
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(N3C=CC(C(F)(F)F)=N3)C=C2)C1=O	REAL300012066911	0	47	0.0	-72.86	396.86	9.19	-63.67
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066912	1	46	0.0	-62.27	377.44	6.98	-55.29
COCCOC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012066913	0	48	0.0	-65.73	382.31	6.53	-59.20
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1Cl	REAL300012066914	0	41	0.0	-68.23	342.86	6.88	-61.35
O=C([O-])CN1CCCC([NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C1=O	REAL300012066915	1	42	0.0	-66.78	357.59	5.95	-60.83
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066916	1	49	0.0	-67.52	378.71	8.61	-58.91
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=N1	REAL300012066917	0	53	0.0	-72.45	415.44	6.96	-65.49
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C1=O	REAL300012066918	0	44	0.0	-66.26	368.26	7.72	-58.54
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC3=C2OCCO3)C1=O	REAL300012066919	0	43	0.0	-62.40	340.33	6.24	-56.16
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC3=C2OCCCO3)C1=O	REAL300012066920	0	46	0.0	-65.80	358.99	7.01	-58.79
CCCN1C2=CC=CC=C2N=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066921	1	49	0.0	-67.88	383.11	9.10	-58.78
CCCOC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012066922	0	47	0.0	-63.61	370.19	8.06	-55.55
O=C([O-])CN1CCCC([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C1=O	REAL300012066923	0	44	0.0	-63.85	363.37	9.61	-54.24
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C1=O	REAL300012066924	0	51	0.0	-64.83	391.41	9.22	-55.61
CC(C)OC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012066925	0	47	0.0	-63.51	366.75	7.89	-55.62
CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012066926	0	50	0.0	-65.17	406.02	9.06	-56.11
CC1=CC=C(C2=NC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CS2)C=C1	REAL300012066927	1	46	0.0	-63.57	383.57	8.49	-55.08
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C1=O	REAL300012066929	0	51	0.0	-65.68	412.32	10.48	-55.20
O=C([O-])CN1CCCC([NH2+]CC2=CSC(C3=CSC=C3)=N2)C1=O	REAL300012066933	1	40	0.0	-67.76	353.40	6.76	-61.00
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C1=O	REAL300012066934	0	44	0.0	-65.19	371.59	9.88	-55.31
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066935	0	51	0.0	-62.63	403.64	7.91	-54.72
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2OC2CCCC2)C1=O	REAL300012066936	0	51	0.0	-58.05	390.61	9.28	-48.77
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012066937	0	54	0.0	-64.36	429.38	7.94	-56.42
CC1=CC=C(C2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)S2)C=C1	REAL300012066938	0	47	0.0	-63.52	386.57	10.49	-53.03
O=C([O-])CN1CCCC([NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C1=O	REAL300012066939	1	43	0.0	-71.72	363.51	7.33	-64.39
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066940	1	41	0.0	-65.39	359.48	7.47	-57.92
O=C([O-])CN1CCCC([NH2+]CC2=CC(Br)=CC=C2Cl)C1=O	REAL300012066941	1	37	0.0	-60.47	330.45	8.13	-52.34
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=CC=C2Br)C1=O	REAL300012066942	1	37	0.0	-59.88	329.48	8.14	-51.74
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)C1=O	REAL300012066943	0	48	0.0	-68.16	400.55	10.08	-58.08
CCOC1=C(OC)C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC	REAL300012066944	0	52	0.0	-75.57	411.27	7.10	-68.47
COCCCOC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012066945	0	51	0.0	-65.33	403.86	7.13	-58.20
CC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CN=C1Cl	REAL300012066946	0	39	0.0	-71.16	327.83	6.26	-64.90
COC1=CC=C(OC(F)F)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012066947	0	45	0.0	-64.07	364.78	5.94	-58.13
O=C([O-])CN1CCCC([NH2+]CC2=C(Cl)C=CC=C2OC(F)F)C1=O	REAL300012066948	1	41	0.0	-58.22	349.29	7.08	-51.14
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(OCCCC3=CC=CC=C3)=C2)C1=O	REAL300012066949	0	57	0.0	-65.07	451.59	11.86	-53.21
CC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OC1=CC=CN=C1	REAL300012066950	0	50	0.0	-66.90	401.40	8.79	-58.11
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2OCC(=O)NCC2CC2)C1=O	REAL300012066951	0	55	0.0	-61.98	438.90	8.32	-53.66
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)S2)C=C1	REAL300012066952	0	46	0.0	-65.91	383.75	8.73	-57.18
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C1=O	REAL300012066953	0	42	0.0	-61.56	354.14	8.06	-53.50
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(F)C3=CC=CN=C23)C1=O	REAL300012066954	0	42	0.0	-63.17	342.85	7.59	-55.58
O=C([O-])CN1CCCC([NH2+]CC2=CC(F)=CC3=CC=CN=C32)C1=O	REAL300012066955	0	42	0.0	-62.55	343.83	7.63	-54.92
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C1=O	REAL300012066956	0	42	0.0	-62.62	351.70	7.96	-54.66
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)C1=O	REAL300012066957	0	44	0.0	-67.04	372.06	9.09	-57.95
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)O1	REAL300012066958	0	47	0.0	-66.11	384.48	9.67	-56.44
CCC1=CC=C(C2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)O2)C=C1	REAL300012066959	0	50	0.0	-64.81	400.46	10.37	-54.44
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(OC(F)F)=C1	REAL300012066960	0	45	0.0	-66.92	364.51	5.95	-60.97
COC1=CC=C2OC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CC2=C1	REAL300012066961	0	44	0.0	-68.19	354.68	6.84	-61.35
O=C([O-])CN1CCCC([NH2+]CC=CC2=CC=C(Cl)C=C2)C1=O	REAL300012066962	0	41	0.0	-65.48	345.10	8.85	-56.63
CC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C2=CC=CC=C2O1	REAL300012066963	0	43	0.0	-65.79	346.27	8.19	-57.60
O=C([O-])CN1CCCC([NH2+]CC2=COC3=CC=CC=C23)C1=O	REAL300012066964	0	40	0.0	-66.32	325.24	7.41	-58.91
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C1=O	REAL300012066965	1	45	0.0	-68.08	363.87	8.73	-59.35
CC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1Br	REAL300012066966	0	40	0.0	-64.60	336.82	8.22	-56.38
O=C([O-])CN1CCCC([NH2+]CC=CC2=CC=C(F)C=C2F)C1=O	REAL300012066967	0	41	0.0	-65.53	340.29	8.43	-57.10
CC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1Br	REAL300012066968	0	40	0.0	-66.03	336.82	8.22	-57.81
O=C([O-])CN1CCCC([NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C1=O	REAL300012066969	1	44	0.0	-64.80	356.22	8.15	-56.65
O=C([O-])CN1CCCC([NH2+]CC2=C(Cl)SC=C2)C1=O	REAL300012066970	1	34	0.0	-60.65	301.69	6.57	-54.08
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=CC3=C2OCC3)C1=O	REAL300012066971	0	42	0.0	-60.69	349.83	7.38	-53.31
O=C([O-])CN1CCCC([NH2+]CC2=CC3=C(F)C=CC=C3N2)C1=O	REAL300012066972	0	41	0.0	-69.43	335.72	7.05	-62.38
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC=C(F)C=C3N2)C1=O	REAL300012066973	0	41	0.0	-70.07	335.62	7.04	-63.03
CCOC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=N1	REAL300012066974	1	43	0.0	-64.72	346.35	4.63	-60.09
CC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC2=CC=CN=C12	REAL300012066975	0	45	0.0	-69.66	358.57	8.23	-61.43
CC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1Cl	REAL300012066976	0	40	0.0	-66.00	332.79	8.14	-57.86
O=C([O-])CN1CCCC([NH2+]CC2=CN=C3C=CSC3=C2)C1=O	REAL300012066977	0	39	0.0	-70.11	329.20	6.51	-63.60
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)O2)C=C1	REAL300012066978	0	56	0.0	-64.53	433.68	11.24	-53.29
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066979	0	57	0.0	-60.63	428.45	10.15	-50.48
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066980	0	57	0.0	-60.45	439.85	10.12	-50.33
CCCC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012066981	0	46	0.0	-61.87	361.71	9.24	-52.63
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012066982	0	55	0.0	-65.20	430.51	11.74	-53.46
CCN(CC)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1F	REAL300012066983	0	51	0.0	-67.81	397.66	8.12	-59.69
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C(SC)C=C1OC	REAL300012066984	0	49	0.0	-63.23	391.68	7.18	-56.05
COC1=CC=C2N=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)SC2=C1	REAL300012066985	1	43	0.0	-67.52	359.17	5.84	-61.68
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066986	1	43	0.0	-69.74	360.47	7.89	-61.85
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1C#N	REAL300012066987	0	42	0.0	-75.77	347.04	6.74	-69.03
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(SC(F)F)C=C2)C1=O	REAL300012066988	0	41	0.0	-66.80	347.14	8.30	-58.50
CC1=CC(Cl)=CC(C)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066989	0	43	0.0	-64.10	347.08	8.61	-55.49
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C1=O	REAL300012066990	0	41	0.0	-71.14	342.82	6.68	-64.46
CCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)N=C1	REAL300012066991	1	43	0.0	-63.58	343.74	5.40	-58.18
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012066992	0	43	0.0	-67.24	351.17	8.68	-58.56
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC(Cl)=C1OC	REAL300012066993	0	45	0.0	-71.43	376.03	6.86	-64.57
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OCC(C)C	REAL300012066994	0	54	0.0	-68.14	419.54	8.63	-59.51
CCCOC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OC	REAL300012066995	0	51	0.0	-68.46	399.43	7.95	-60.51
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Br)S2)C1=O	REAL300012066996	0	34	0.0	-64.43	309.23	6.87	-57.56
CCOC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC(Cl)=C1OC	REAL300012066997	0	48	0.0	-71.34	397.89	7.78	-63.56
C=CCOC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012066998	0	45	0.0	-63.92	361.59	7.84	-56.08
COC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1OC(C)C	REAL300012066999	0	51	0.0	-54.03	392.82	8.04	-45.99
CCOC1=C(Cl)C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC	REAL300012067000	0	48	0.0	-71.25	397.89	7.82	-63.43
CCCOC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=CC=C1OCC	REAL300012067001	0	54	0.0	-60.48	418.38	9.13	-51.35
CCCCOC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OC	REAL300012067002	0	54	0.0	-68.44	420.93	8.73	-59.71
CCCOC1=C(Cl)C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OCC	REAL300012067003	0	54	0.0	-71.05	441.24	9.54	-61.51
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC(F)F	REAL300012067004	0	45	0.0	-67.41	365.84	6.52	-60.89
CCOC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OC(F)F	REAL300012067005	0	48	0.0	-70.14	387.69	7.43	-62.71
CC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC(C)=C1OC(F)F	REAL300012067006	0	47	0.0	-70.22	376.07	8.10	-62.12
CCOC1=CC2=C(C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O)OC(C)C2	REAL300012067007	0	52	0.0	-60.16	404.17	7.92	-52.24
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC2=C1OCCO2	REAL300012067008	0	47	0.0	-70.66	371.02	6.05	-64.61
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1=O	REAL300012067009	0	46	0.0	-70.79	391.81	8.46	-62.33
CCCCN1N=C(C)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1Cl	REAL300012067010	1	49	0.0	-66.05	401.53	8.13	-57.92
CCOC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1OC(F)F	REAL300012067011	0	48	0.0	-63.71	382.25	7.88	-55.83
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2OCC(=O)N2CCCC2)C1=O	REAL300012067012	0	55	0.0	-62.34	431.39	9.20	-53.14
CC1=CC(C)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1C	REAL300012067013	0	46	0.0	-61.27	351.28	8.80	-52.47
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C1=O	REAL300012067014	0	44	0.0	-63.57	365.18	9.81	-53.76
CCCOC1=C(Cl)C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC	REAL300012067015	0	51	0.0	-71.13	419.39	8.62	-62.51
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067016	0	59	0.0	-66.30	446.03	10.93	-55.37
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)C1=O	REAL300012067017	0	44	0.0	-67.70	372.26	9.10	-58.60
CC(C)(C[NH2+]C1CCCN(CC(=O)[O-])C1=O)C1=CC=CC=C1	REAL300012067018	0	46	0.0	-61.11	345.44	8.74	-52.37
CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2CCCCC2)=N1	REAL300012067019	0	53	0.0	-66.36	404.18	8.57	-57.79
CC(CCC1=CC=CC=C1)C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067020	0	49	0.0	-60.72	376.22	9.91	-50.81
CC1(C)CCC2=C(C1)SC(C[NH2+]C1CCCN(CC(=O)[O-])C1=O)=N2	REAL300012067021	1	49	0.0	-61.50	381.56	7.69	-53.81
CCC1=CC=CC(Cl)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067022	0	43	0.0	-56.43	346.43	8.69	-47.74
CC1=C(C)C=C2OC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CC2=C1	REAL300012067023	0	46	0.0	-70.30	363.70	8.77	-61.53
CCCC1CCC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)CC1	REAL300012067024	0	52	0.0	-60.33	379.10	9.40	-50.93
O=C([O-])CN1CCCC([NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)C1=O	REAL300012067025	0	44	0.0	-58.13	361.34	7.38	-50.75
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C1=O	REAL300012067026	0	44	0.0	-71.55	353.29	9.41	-62.14
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C1=O	REAL300012067027	0	44	0.0	-65.12	365.99	9.04	-56.08
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=C3OCCOC3=C2)C1=O	REAL300012067028	0	43	0.0	-69.48	357.80	6.72	-62.76
CCCCC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C2=CC=CC=C2O1	REAL300012067029	0	52	0.0	-65.70	405.54	10.53	-55.17
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C1=O	REAL300012067030	0	50	0.0	-73.85	404.25	11.70	-62.15
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067031	0	50	0.0	-69.19	400.06	9.20	-59.99
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)C1=O	REAL300012067032	0	46	0.0	-69.89	376.21	7.51	-62.38
COC1=CC=C(C)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067033	0	44	0.0	-58.62	346.91	7.05	-51.57
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1F	REAL300012067034	0	41	0.0	-70.23	333.06	6.41	-63.82
O=C([O-])CN1CCCC([NH2+]CC2CCC(C(F)(F)F)CC2)C1=O	REAL300012067035	0	46	0.0	-65.69	355.92	8.30	-57.39
CC(C)C1CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)CCO1	REAL300012067036	0	50	0.0	-61.99	360.35	6.93	-55.06
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)C1=O	REAL300012067037	0	44	0.0	-73.79	374.49	7.80	-65.99
CCSC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067040	0	44	0.0	-63.79	359.01	8.88	-54.91
O=C([O-])CN1CCCC([NH2+]CC2=C(O)C=CC(Cl)=C2F)C1=O	REAL300012067041	1	38	0.0	-61.68	328.51	4.76	-56.92
CCN1N=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C2=CC=CC=C21	REAL300012067042	1	46	0.0	-64.46	369.08	7.82	-56.64
COCCC1(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)CCCCC1	REAL300012067043	0	53	0.0	-61.17	375.69	7.24	-53.93
O=C([O-])CN1CCCC([NH2+]CC2=CC(Br)=C(Cl)S2)C1=O	REAL300012067044	0	34	0.0	-70.21	325.25	7.34	-62.87
CCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067045	0	47	0.0	-64.68	370.18	8.06	-56.62
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)O2)C1=O	REAL300012067046	0	44	0.0	-67.42	389.46	9.88	-57.54
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067047	1	50	0.0	-66.73	417.32	9.55	-57.18
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC=CC=C3O2)C1=O	REAL300012067048	0	40	0.0	-66.17	325.21	7.56	-58.61
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C1=O	REAL300012067049	0	44	0.0	-65.40	357.58	8.93	-56.47
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OC(C)C	REAL300012067050	0	51	0.0	-68.36	395.87	7.77	-60.59
CCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OCC	REAL300012067051	0	54	0.0	-68.34	421.29	8.87	-59.47
CC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1[N+](=O)[O-]	REAL300012067052	0	42	0.0	-75.04	341.56	8.23	-66.81
CC(C)OC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067053	0	47	0.0	-64.67	367.18	7.92	-56.75
CCCCCCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067054	0	59	0.0	-64.45	456.18	11.18	-53.27
CC(C[NH2+]C1CCCN(CC(=O)[O-])C1=O)CC1=CC=C(C(C)(C)C)C=C1	REAL300012067055	0	58	0.0	-62.74	430.40	11.41	-51.33
O=C([O-])CN1CCCC([NH2+]CC2=C3NC=CC3=CC=C2)C1=O	REAL300012067056	0	41	0.0	-64.72	328.69	7.03	-57.69
O=C([O-])CN1CCCC([NH2+]CC2=C(Br)C=CS2)C1=O	REAL300012067057	1	34	0.0	-57.90	306.99	6.67	-51.23
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2N2CCOCC2)C1=O	REAL300012067058	0	50	0.0	-55.78	379.54	6.61	-49.17
O=C([O-])CN1CCCC([NH2+]CC2=CC(F)=CC=C2Br)C1=O	REAL300012067059	1	37	0.0	-60.55	319.15	7.70	-52.85
CC(C)CC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067060	0	49	0.0	-61.65	378.48	9.72	-51.93
CC1=CC=C(C2=CC=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=C2)C=C1	REAL300012067061	0	50	0.0	-65.21	392.95	11.11	-54.10
COC1=CC=C(Br)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067062	1	41	0.0	-59.20	342.24	6.92	-52.28
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1[N+](=O)[O-]	REAL300012067063	0	43	0.0	-78.45	352.86	7.77	-70.68
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C1=O	REAL300012067064	0	37	0.0	-67.17	330.79	8.04	-59.13
O=C([O-])CN1CCCC([NH2+]CC2=CC(F)=CC(Cl)=C2)C1=O	REAL300012067065	0	37	0.0	-68.12	320.47	7.61	-60.51
O=C([O-])CN1CCCC([NH2+]CC2=CC(Br)=CO2)C1=O	REAL300012067066	1	34	0.0	-68.51	299.97	5.81	-62.70
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067067	0	50	0.0	-63.69	393.33	11.11	-52.58
O=C([O-])CN1CCCC([NH2+]CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C1=O	REAL300012067068	0	43	0.0	-71.75	375.12	9.04	-62.71
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(OC(F)F)=C2)C1=O	REAL300012067069	0	41	0.0	-67.54	336.59	6.61	-60.93
CCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OCC	REAL300012067070	0	51	0.0	-68.57	399.79	8.07	-60.50
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Cl)C=C2F)C1=O	REAL300012067071	1	37	0.0	-65.23	318.84	7.60	-57.63
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C1=O	REAL300012067072	0	40	0.0	-71.62	349.23	8.44	-63.18
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(F)C=C2Br)C1=O	REAL300012067073	1	37	0.0	-63.89	319.21	7.69	-56.20
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C1=O	REAL300012067074	0	41	0.0	-67.20	343.33	6.82	-60.38
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=CC=C2F)C1=O	REAL300012067075	1	37	0.0	-62.09	318.47	7.59	-54.50
COC1=CC=CC=C1C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067076	0	51	0.0	-65.43	405.56	10.09	-55.34
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)C1=O	REAL300012067077	0	47	0.0	-67.39	396.61	9.93	-57.46
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(Cl)=C2F)C1=O	REAL300012067078	1	37	0.0	-65.07	317.91	7.58	-57.49
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C2=CC=CC=C12	REAL300012067079	0	47	0.0	-66.58	366.62	8.53	-58.05
O=C([O-])CN1CCCC([NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C1=O	REAL300012067080	1	44	0.0	-63.84	350.13	7.16	-56.68
O=C([O-])CN1CCCC([NH2+]CC2=NNC=C2C2=CC=CC=C2)C1=O	REAL300012067080	1	44	0.0	-61.10	354.70	6.96	-54.14
CN1C2=CC=CC=C2N=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067081	1	43	0.0	-68.56	344.60	7.40	-61.16
O=C([O-])CN1CCCC([NH2+]CC2=CC=C3OCCC3=C2)C1=O	REAL300012067083	0	42	0.0	-66.28	333.22	6.87	-59.41
O=C([O-])CN1CCCC([NH2+]CC2=CSC(Br)=C2)C1=O	REAL300012067084	0	34	0.0	-65.45	308.99	6.71	-58.74
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OCC1=CC=CN=C1	REAL300012067085	0	54	0.0	-73.12	432.68	8.42	-64.70
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C(C2=CC=CC=C2)C=C1OC	REAL300012067086	0	55	0.0	-56.15	426.65	9.62	-46.53
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C1=O	REAL300012067087	0	47	0.0	-65.18	371.55	10.43	-54.75
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C1=O	REAL300012067088	0	50	0.0	-59.43	401.91	8.60	-50.83
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(N3CCCC3)N=C2)C1=O	REAL300012067089	0	48	0.0	-66.66	371.25	6.94	-59.72
O=C([O-])CN1CCCC([NH2+]CC2=C3C=CNC3=CC=C2)C1=O	REAL300012067090	0	41	0.0	-61.68	328.51	7.05	-54.63
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Br)C(F)=C2)C1=O	REAL300012067091	0	37	0.0	-70.53	324.34	7.70	-62.83
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C1=O	REAL300012067092	0	46	0.0	-64.26	368.99	8.92	-55.34
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C1=O	REAL300012067093	0	46	0.0	-67.15	366.56	8.67	-58.48
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C1=O	REAL300012067094	0	46	0.0	-68.40	366.75	8.68	-59.72
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067095	0	52	0.0	-66.39	391.26	7.59	-58.80
CN1CCN(C2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=C2)CC1	REAL300012067096	1	54	0.0	-63.54	406.55	5.74	-57.80
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C1=O	REAL300012067097	0	46	0.0	-69.94	378.68	5.54	-64.40
CNC(=O)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067098	0	44	0.0	-73.37	353.80	5.31	-68.06
O=C([O-])CN1CCCC([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C1=O	REAL300012067099	0	44	0.0	-70.61	362.57	8.31	-62.30
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067100	0	50	0.0	-68.70	410.36	9.64	-59.06
O=C([O-])CN1CCCC([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C1=O	REAL300012067101	0	44	0.0	-70.01	372.89	8.76	-61.25
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067102	0	50	0.0	-75.69	408.20	9.39	-66.30
CC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC(C)=C1OCC1=CC=CC=N1	REAL300012067103	0	56	0.0	-67.42	443.17	10.12	-57.30
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C1=O	REAL300012067104	0	44	0.0	-67.83	368.26	7.72	-60.11
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC=CC=C3C=C2)C1=O	REAL300012067105	0	43	0.0	-65.10	343.43	9.29	-55.81
COC1=C2OC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CC2=CC=C1	REAL300012067106	0	44	0.0	-68.31	354.70	6.85	-61.46
CC(C)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1[N+](=O)[O-]	REAL300012067107	0	48	0.0	-74.13	381.48	9.51	-64.62
O=C([O-])CN1CCCC([NH2+]CC2=CC(Br)=C3OCOC3=C2)C1=O	REAL300012067108	0	40	0.0	-71.28	344.69	6.31	-64.97
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067109	0	53	0.0	-70.88	419.70	9.64	-61.24
CCOC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OCC(C)C	REAL300012067110	0	57	0.0	-68.07	441.39	9.55	-58.52
O=C([O-])CN1CCCC([NH2+]CC2=CC(Br)=CC=C2F)C1=O	REAL300012067111	1	37	0.0	-62.01	323.02	7.70	-54.31
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Br)C=C2F)C1=O	REAL300012067112	1	37	0.0	-65.31	323.40	7.70	-57.61
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC(OC)=C1	REAL300012067113	0	45	0.0	-64.95	356.33	5.64	-59.31
COC1=CC2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=C2C=C1	REAL300012067114	0	47	0.0	-68.16	372.79	8.58	-59.58
O=C([O-])CN1CCCC([NH2+]CC2=CC(Br)=CS2)C1=O	REAL300012067116	0	34	0.0	-63.49	309.02	6.76	-56.73
CCCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OCC	REAL300012067117	0	57	0.0	-68.13	442.79	9.65	-58.48
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067118	0	50	0.0	-69.50	395.44	9.20	-60.30
COC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1OC(F)F	REAL300012067119	0	45	0.0	-63.87	360.45	6.96	-56.91
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(CSC(F)F)O2)C1=O	REAL300012067120	1	41	0.0	-69.95	358.05	7.60	-62.35
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC=CC=C3N=C2N2CCCCC2)C1=O	REAL300012067121	0	57	0.0	-60.49	434.20	10.24	-50.25
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC=CC=C3NC2=O)C1=O	REAL300012067122	0	43	0.0	-65.11	347.67	6.09	-59.02
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(F)C(Br)=C2)C1=O	REAL300012067124	0	37	0.0	-70.20	324.34	7.69	-62.51
CC1=CC=C(COC2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=C2)C=C1	REAL300012067125	0	54	0.0	-66.11	430.00	10.99	-55.12
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(N3CCCCC3)C=C2)C1=O	REAL300012067126	0	52	0.0	-62.56	390.27	8.31	-54.25
CCCCCCOC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067127	0	56	0.0	-63.44	434.68	10.40	-53.04
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1SC	REAL300012067128	0	45	0.0	-68.69	366.25	7.38	-61.31
N#CCCCOC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067129	0	48	0.0	-70.21	391.04	8.57	-61.64
CCCCCOC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OC	REAL300012067130	0	57	0.0	-68.39	442.43	9.51	-58.88
CCC(C)OC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OC	REAL300012067131	0	54	0.0	-68.15	417.19	8.59	-59.56
CCCCCCCOC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067132	0	59	0.0	-63.38	456.18	11.18	-52.20
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OCCCC#N	REAL300012067133	0	52	0.0	-77.60	420.29	8.47	-69.13
C=C(C)COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OC	REAL300012067134	0	52	0.0	-69.32	410.25	8.50	-60.82
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OCCC(C)C	REAL300012067135	0	57	0.0	-68.36	438.50	9.25	-59.11
C=CCC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC(OC)=C1O	REAL300012067136	0	49	0.0	-68.90	392.20	6.18	-62.72
O=C([O-])CN1CCCC([NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C1=O	REAL300012067137	0	44	0.0	-71.79	356.73	6.95	-64.84
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067138	1	46	0.0	-67.13	375.61	7.97	-59.16
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067139	1	47	0.0	-71.50	396.12	5.59	-65.91
O=C([O-])CN1CCCC([NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C1=O	REAL300012067141	1	43	0.0	-65.36	360.66	7.80	-57.56
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)C1=O	REAL300012067142	0	50	0.0	-69.37	391.38	6.16	-63.21
CN1C=NC2=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CC=C21	REAL300012067143	0	43	0.0	-69.04	345.71	8.38	-60.66
CCN1N=C(C)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1C	REAL300012067144	0	46	0.0	-65.32	361.01	6.68	-58.64
C=CCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1Cl	REAL300012067145	0	45	0.0	-68.33	377.62	8.39	-59.94
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C1=O	REAL300012067146	0	43	0.0	-69.06	362.55	8.05	-61.01
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C2OC(C)CC2=C1	REAL300012067147	0	49	0.0	-61.94	383.52	6.89	-55.05
CC1(C)CC2=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CC=C2O1	REAL300012067148	0	48	0.0	-66.80	374.73	8.28	-58.52
O=C([O-])CN1CCCC([NH2+]CC2=CSC(C3=CC=CS3)=N2)C1=O	REAL300012067150	1	40	0.0	-63.87	353.80	6.85	-57.02
CC1=CC=CC(C2=NNC=C2C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067151	0	47	0.0	-65.53	367.89	7.50	-58.03
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)C1=O	REAL300012067152	0	40	0.0	-69.60	353.12	8.55	-61.05
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Br)C=C2Cl)C1=O	REAL300012067153	1	37	0.0	-63.77	330.55	8.13	-55.64
CC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(Br)=C1	REAL300012067154	1	40	0.0	-59.67	334.21	8.29	-51.38
CC(C)COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067155	0	50	0.0	-64.49	390.29	8.75	-55.74
COCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067156	0	48	0.0	-66.51	382.31	6.53	-59.98
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067157	0	52	0.0	-67.92	426.08	10.73	-57.19
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C1=O	REAL300012067158	0	41	0.0	-69.49	352.62	7.15	-62.34
O=C([O-])CN1CCCC([NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)C1=O	REAL300012067159	1	45	0.0	-69.52	390.37	8.49	-61.03
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1Cl	REAL300012067160	1	47	0.0	-63.65	391.70	8.53	-55.12
COC1=CC2=C(C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O)OCO2	REAL300012067161	1	44	0.0	-64.42	351.31	5.06	-59.36
O=C([O-])CN1CCCC([NH2+]CC2=CN=CC3=CC=CC=C32)C1=O	REAL300012067162	0	42	0.0	-65.08	333.69	7.41	-57.67
CC(C)COC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067163	0	50	0.0	-63.40	390.29	8.75	-54.65
CC1=CC(Cl)=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067164	0	40	0.0	-64.77	328.84	8.18	-56.59
O=C([O-])CN1CCCC([NH2+]CC=CC2=CC=C(F)C=C2)C1=O	REAL300012067165	0	41	0.0	-66.43	334.78	8.40	-58.03
O=C([O-])CN1CCCC([NH2+]CC2=CN=CC(Br)=C2)C1=O	REAL300012067166	0	36	0.0	-68.33	313.50	5.85	-62.48
CN1N=NC2=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CC=C21	REAL300012067167	0	42	0.0	-75.21	341.32	5.48	-69.73
CC1(C)CC2=CC=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=C2O1	REAL300012067168	0	48	0.0	-58.54	374.50	8.27	-50.27
O=C([O-])CN1CCCC([NH2+]CC2=CC(Br)=CC3=C2OCC3)C1=O	REAL300012067169	0	42	0.0	-60.60	354.40	7.49	-53.11
CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2=CC=CC=C2)=N1	REAL300012067170	0	47	0.0	-69.70	376.31	8.21	-61.49
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C1=O	REAL300012067171	0	44	0.0	-67.06	355.69	8.23	-58.83
CC1=C(Br)SC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067172	0	37	0.0	-64.46	328.82	7.47	-56.99
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Br)C3=CC=CN=C23)C1=O	REAL300012067173	0	42	0.0	-62.79	355.76	8.05	-54.74
CC1=NC2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=C2C=C1	REAL300012067174	0	45	0.0	-70.80	360.04	8.01	-62.79
COC1=CC=C(OC2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=C2)C=C1	REAL300012067175	0	52	0.0	-67.19	417.23	9.24	-57.95
O=C([O-])CN1CCCC([NH2+]CC2=NC=CC=C2C(F)(F)F)C1=O	REAL300012067176	1	39	0.0	-56.89	321.33	6.10	-50.79
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=C2)=C1	REAL300012067177	0	53	0.0	-65.35	414.35	11.77	-53.58
CC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1N1C=NC=N1	REAL300012067178	0	46	0.0	-72.77	366.26	10.48	-62.29
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC(F)=CC=C3O2)C1=O	REAL300012067179	0	40	0.0	-68.27	331.62	7.62	-60.65
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OCC(F)F)C=C2)C1=O	REAL300012067180	0	44	0.0	-69.34	361.70	7.58	-61.76
COCC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067181	0	44	0.0	-63.41	352.39	6.75	-56.66
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067182	0	47	0.0	-69.74	392.64	9.35	-60.39
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C1=O	REAL300012067183	0	51	0.0	-65.59	415.01	10.38	-55.21
CCCCOC1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067184	0	50	0.0	-58.14	390.21	8.91	-49.23
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C1=O	REAL300012067185	0	48	0.0	-68.23	397.84	11.13	-57.10
CC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C(OC(F)F)C=C1C	REAL300012067186	0	47	0.0	-63.34	373.71	7.87	-55.47
COC1=CC(C)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC	REAL300012067187	0	48	0.0	-67.04	370.81	6.85	-60.19
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067188	1	43	0.0	-76.14	361.57	7.91	-68.23
O=C([O-])CN1CCCC([NH2+]CC2=CNN=C2C2=CSC=C2)C1=O	REAL300012067191	0	41	0.0	-56.04	342.35	5.91	-50.13
CSC1=CC(Br)=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067192	0	41	0.0	-60.96	354.28	8.58	-52.38
O=C([O-])CN1CCCC([NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)C1=O	REAL300012067193	0	47	0.0	-69.35	388.00	8.77	-60.58
CC1CCC2=C(C1)SC(C[NH2+]C1CCCN(CC(=O)[O-])C1=O)=N2	REAL300012067194	1	46	0.0	-61.68	366.64	7.39	-54.29
CC(C)(C)C1CCC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)CC1	REAL300012067195	0	55	0.0	-59.61	379.98	9.12	-50.49
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067196	0	51	0.0	-61.25	399.42	9.83	-51.42
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067197	0	51	0.0	-61.30	399.67	9.80	-51.50
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067198	0	50	0.0	-64.45	394.88	8.05	-56.40
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OCC3CC3)C=C2)C1=O	REAL300012067199	0	48	0.0	-64.90	380.36	8.84	-56.06
COC1=CC(Cl)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1Cl	REAL300012067200	1	41	0.0	-62.94	354.69	7.36	-55.58
CC(C)CC1=NC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067201	0	45	0.0	-63.75	365.17	7.21	-56.54
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C3=CC=CS3)S2)C1=O	REAL300012067202	0	40	0.0	-65.94	354.23	7.12	-58.82
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C3=CSC=C3)S2)C1=O	REAL300012067203	0	40	0.0	-68.88	353.68	7.01	-61.87
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)S2)O1	REAL300012067204	0	43	0.0	-67.99	367.04	6.96	-61.03
CC1=CC(Br)=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067205	0	40	0.0	-64.89	333.40	8.28	-56.61
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Cl)C(Br)=C2)C1=O	REAL300012067206	0	37	0.0	-69.19	333.46	8.10	-61.09
O=C([O-])CN1CCCC([NH2+]CC2=CNN=C2C2=CC=CC=C2F)C1=O	REAL300012067207	0	44	0.0	-71.78	350.88	7.07	-64.71
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)C1=O	REAL300012067208	0	46	0.0	-67.60	371.47	8.72	-58.88
O=C([O-])CN1CCCC([NH2+]CC2=C(Cl)OC3=CC=CC=C32)C1=O	REAL300012067209	1	40	0.0	-63.27	341.45	7.99	-55.28
COCCOC1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067210	0	48	0.0	-57.76	380.84	6.59	-51.17
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Cl)C=C2Br)C1=O	REAL300012067211	1	37	0.0	-63.14	329.54	8.14	-55.00
COC1=C(Br)C=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067212	0	41	0.0	-64.69	347.18	7.08	-57.61
O=C([O-])CN1CCCC([NH2+]CC2=NC3=C(CCC3)S2)C1=O	REAL300012067213	1	40	0.0	-62.59	327.95	6.20	-56.39
CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2=CC=CS2)=N1	REAL300012067214	0	44	0.0	-63.86	361.80	7.38	-56.48
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=CC=C2OC2CCCC2)C1=O	REAL300012067215	0	51	0.0	-59.22	406.87	9.80	-49.42
O=C([O-])CN1CCCC([NH2+]CC2=C(Cl)C=CC=C2OC2=CC=CC=C2)C1=O	REAL300012067216	1	48	0.0	-54.84	398.52	10.33	-44.51
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=CC=C2OCC2CCCO2)C1=O	REAL300012067217	0	52	0.0	-58.87	421.18	8.28	-50.59
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067218	0	56	0.0	-67.13	420.54	10.46	-56.67
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)C1=O	REAL300012067219	0	44	0.0	-66.57	363.98	8.99	-57.58
CC(C)(C)C1=NC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067220	0	45	0.0	-66.74	364.36	6.81	-59.93
O=C([O-])CN1CCCC([NH2+]CC2=CC=C3OCCOC3=C2)C1=O	REAL300012067221	0	43	0.0	-67.30	341.83	6.19	-61.11
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(Br)=C2)C1=O	REAL300012067222	0	37	0.0	-65.11	318.62	7.64	-57.47
O=C([O-])CN1CCCC([NH2+]CC2=CN(C3=CC=CC=C3)N=C2)C1=O	REAL300012067223	0	44	0.0	-69.37	356.16	8.24	-61.13
O=C([O-])CN1CCCC([NH2+]CC2=CN(CC3=CC=CC=C3Cl)N=C2)C1=O	REAL300012067224	0	47	0.0	-68.77	394.18	9.17	-59.60
CC(C)(C)N1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=N1	REAL300012067225	0	46	0.0	-65.30	360.10	6.85	-58.45
CC(=O)NC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067226	0	44	0.0	-68.36	353.67	5.93	-62.43
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC([N+](=O)[O-])=C2)C1=O	REAL300012067227	0	39	0.0	-75.47	325.54	7.70	-67.77
O=C([O-])CN1CCCC([NH2+]CC2=CC=C([N+](=O)[O-])C=C2)C1=O	REAL300012067228	0	39	0.0	-77.26	325.54	7.70	-69.56
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC3=CC=CC=C32)C1=O	REAL300012067229	0	43	0.0	-63.93	338.29	9.18	-54.75
CN(C)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067230	0	45	0.0	-62.15	349.85	7.46	-54.69
CCN(CC)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067231	0	51	0.0	-61.17	392.45	9.34	-51.83
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Br)C=C2)C1=O	REAL300012067232	0	37	0.0	-66.19	318.62	7.66	-58.53
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC(OC)=C1OC	REAL300012067233	0	49	0.0	-75.76	389.42	6.16	-69.60
O=C([O-])CN1CCCC([NH2+]CC2=C(F)C=CC=C2Cl)C1=O	REAL300012067234	1	37	0.0	-55.88	316.68	7.46	-48.42
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2OC(F)F)C1=O	REAL300012067235	0	41	0.0	-63.39	335.11	6.66	-56.73
COC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1OC	REAL300012067236	0	45	0.0	-63.73	355.99	6.29	-57.44
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Cl)C=C2Cl)C1=O	REAL300012067237	1	37	0.0	-63.61	325.99	8.02	-55.59
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(N3CCOCC3)C=C2)C1=O	REAL300012067238	0	50	0.0	-64.65	381.33	5.86	-58.79
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC	REAL300012067239	0	45	0.0	-68.77	356.08	6.23	-62.54
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(OC)=C1	REAL300012067240	0	45	0.0	-61.34	354.76	5.69	-55.65
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C(F)(F)F)C=C2)C1=O	REAL300012067241	0	40	0.0	-68.77	336.07	8.03	-60.74
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(Cl)=C2Cl)C1=O	REAL300012067242	1	37	0.0	-63.27	324.34	7.97	-55.30
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Cl)C(Cl)=C2)C1=O	REAL300012067243	0	37	0.0	-69.22	329.25	8.00	-61.22
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067244	0	58	0.0	-62.08	447.38	12.15	-49.93
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC(F)F)C=C2)C1=O	REAL300012067245	0	41	0.0	-67.34	336.58	6.61	-60.73
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2C(F)(F)F)C1=O	REAL300012067246	0	40	0.0	-57.22	325.90	8.10	-49.12
CCCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067247	0	50	0.0	-64.58	391.68	8.84	-55.74
CC(C)CCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067248	0	53	0.0	-64.55	409.25	9.36	-55.19
CCCCCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067249	0	56	0.0	-64.42	434.68	10.40	-54.02
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)C1=O	REAL300012067250	0	48	0.0	-66.14	386.80	9.91	-56.23
CCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(OCCC)=C1	REAL300012067251	0	57	0.0	-60.46	441.46	9.14	-51.32
CC(=CC1=CC=CC=C1)C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067252	0	44	0.0	-62.87	344.85	8.81	-54.06
CCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC	REAL300012067253	0	48	0.0	-68.63	377.93	7.15	-61.48
CC(C)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067254	0	46	0.0	-61.87	357.55	8.96	-52.91
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(C(F)(F)F)=C2)C1=O	REAL300012067255	0	40	0.0	-67.51	336.39	8.05	-59.46
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(OC)=C1OC	REAL300012067256	0	49	0.0	-69.29	383.40	6.08	-63.21
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OCC1=CC=CC=C1	REAL300012067257	0	55	0.0	-69.90	437.84	10.20	-59.70
CCOC1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067258	0	44	0.0	-58.00	347.21	7.33	-50.67
CCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067259	0	44	0.0	-64.99	348.69	7.26	-57.73
COC1=CC=C(Br)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067260	0	41	0.0	-60.10	346.86	7.00	-53.10
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC(Br)=C1O	REAL300012067261	0	42	0.0	-69.94	358.00	4.80	-65.14
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C1=O	REAL300012067262	0	47	0.0	-65.00	371.54	10.45	-54.55
COC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C2=CC=CC=C2C=C1	REAL300012067263	0	47	0.0	-58.40	367.70	8.53	-49.87
CSC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067264	0	41	0.0	-65.24	337.54	8.05	-57.19
O=C([O-])CN1CCCC([NH2+]CC2=C(Cl)C=CC=C2Cl)C1=O	REAL300012067265	1	37	0.0	-54.61	325.44	7.86	-46.75
COC1=CC(OC)=C(OC)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067266	0	49	0.0	-64.22	384.24	5.58	-58.64
CC1=CC(C)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=C1	REAL300012067267	0	46	0.0	-60.75	352.75	8.72	-52.03
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067268	1	47	0.0	-69.14	391.87	9.06	-60.08
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)C1=O	REAL300012067269	0	51	0.0	-64.87	408.60	10.31	-54.56
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2Br)C1=O	REAL300012067270	1	37	0.0	-58.72	313.61	7.58	-51.14
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1O	REAL300012067271	0	42	0.0	-68.79	337.59	4.17	-64.62
CC1=NN(C)C(Cl)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067272	1	40	0.0	-66.67	336.73	5.72	-60.95
O=C([O-])CN1CCCC([NH2+]CC2=CN(CC(F)(F)F)N=C2)C1=O	REAL300012067273	0	40	0.0	-71.58	339.55	6.20	-65.38
CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C(C)(C)C)=N1	REAL300012067274	0	49	0.0	-63.55	363.15	7.10	-56.45
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2I)C1=O	REAL300012067275	1	37	0.0	-57.65	318.97	8.01	-49.64
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC(F)F)C=C2OC(F)F)C1=O	REAL300012067276	0	45	0.0	-67.90	374.26	6.23	-61.67
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(N3CCCCC3)C([N+](=O)[O-])=C2)C1=O	REAL300012067277	0	54	0.0	-75.60	420.34	10.28	-65.32
CN(CCC#N)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067278	0	49	0.0	-66.10	391.51	8.89	-57.21
O=C([O-])CN1CCCC([NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)C1=O	REAL300012067279	0	47	0.0	-62.89	377.45	8.79	-54.10
CCOC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1OC	REAL300012067280	0	48	0.0	-60.87	375.04	7.38	-53.49
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OCC(N)=O	REAL300012067281	0	49	0.0	-81.31	394.66	4.19	-77.12
C#CCOC1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067282	0	43	0.0	-59.19	353.00	7.87	-51.32
CCNC(=O)COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC	REAL300012067283	0	55	0.0	-78.94	438.08	6.47	-72.47
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC2=C1OCO2	REAL300012067284	0	44	0.0	-72.97	352.92	4.97	-68.00
COC1=CC2=C(C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O)OC(C)C2	REAL300012067286	0	49	0.0	-60.74	382.25	7.00	-53.74
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC(OC)=C1OCC(N)=O	REAL300012067287	0	53	0.0	-84.61	428.00	4.00	-80.61
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC(Cl)=C1OCC(N)=O	REAL300012067288	0	49	0.0	-80.84	414.62	4.83	-76.01
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1C	REAL300012067290	0	44	0.0	-64.91	346.91	7.07	-57.84
CC(C)(C)C1=NNC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067291	0	46	0.0	-62.60	337.33	5.83	-56.77
COC1=CC=CC(OC)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067292	1	45	0.0	-54.47	353.66	5.76	-48.71
COC1=CC=C(F)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067293	1	41	0.0	-61.40	331.22	6.36	-55.04
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(I)=C2)C1=O	REAL300012067294	0	37	0.0	-64.83	325.11	8.12	-56.71
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(I)C=C2)C1=O	REAL300012067295	0	37	0.0	-66.01	325.11	8.13	-57.88
CSC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067296	0	38	0.0	-63.37	330.84	7.35	-56.02
O=C([O-])CN1CCCC([NH2+]CC2=CNN=C2C2=CC=C(C(F)(F)F)C=C2)C1=O	REAL300012067297	0	47	0.0	-59.69	383.30	7.86	-51.83
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067298	0	50	0.0	-59.89	386.04	10.87	-49.02
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC3=C2OCO3)C1=O	REAL300012067299	0	40	0.0	-64.35	323.23	5.69	-58.66
O=C([O-])CN1CCCC([NH2+]CC2=C(Cl)C=CS2)C1=O	REAL300012067300	0	34	0.0	-58.16	302.82	6.58	-51.58
CS(=O)(=O)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067301	0	43	0.0	-75.81	358.03	4.55	-71.26
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C1=O	REAL300012067302	0	47	0.0	-65.69	388.26	10.97	-54.72
COC1=CC=C(F)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067303	1	41	0.0	-61.03	331.95	6.45	-54.58
NC(=O)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067304	0	41	0.0	-73.15	331.87	3.81	-69.34
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1F	REAL300012067305	0	41	0.0	-71.07	333.06	6.40	-64.67
COC1=CC=C(Cl)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067306	0	41	0.0	-60.18	342.29	6.90	-53.28
COC(=O)C1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CN1C	REAL300012067307	0	44	0.0	-69.76	356.74	7.22	-62.54
CC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1Cl	REAL300012067308	0	40	0.0	-64.59	332.79	8.14	-56.45
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1C	REAL300012067309	0	44	0.0	-64.72	346.91	7.07	-57.65
N#CC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(F)=C1	REAL300012067310	1	38	0.0	-71.24	322.89	7.45	-63.79
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C1=O	REAL300012067311	0	50	0.0	-66.72	401.36	8.62	-58.10
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Br)C=N2)C1=O	REAL300012067312	1	36	0.0	-64.59	313.62	5.81	-58.78
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(N3CCOCC3)S2)C1=O	REAL300012067313	0	46	0.0	-66.58	371.00	4.34	-62.24
C#CCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067314	0	46	0.0	-65.60	375.97	8.58	-57.02
O=C([O-])CN1CCCC([NH2+]CC2=CN3C=CC=CC3=N2)C1=O	REAL300012067315	1	40	0.0	-65.48	324.30	7.53	-57.95
CC1=NN(C)C2=NC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=C12	REAL300012067316	0	45	0.0	-75.27	363.60	6.76	-68.51
O=C([O-])CN1CCCC([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C1=O	REAL300012067318	1	40	0.0	-65.40	341.02	8.04	-57.36
CCOCC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OC	REAL300012067319	0	51	0.0	-63.91	400.92	7.24	-56.67
NC(=O)C1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067320	0	41	0.0	-69.33	331.88	3.80	-65.53
O=C([O-])CN1CCCC([NH2+]CC2=CSC(C3=CC=C4OCOC4=C3)=N2)C1=O	REAL300012067322	1	46	0.0	-71.56	388.42	6.49	-65.07
COC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1F	REAL300012067323	1	41	0.0	-64.85	332.22	6.37	-58.48
O=C([O-])CN1CCCC([NH2+]CC2=CC=C3CCCC3=C2)C1=O	REAL300012067325	0	44	0.0	-62.40	342.84	8.94	-53.46
O=C([O-])CN1CCCC([NH2+]CC2=CSC=C2Br)C1=O	REAL300012067326	1	34	0.0	-59.87	305.70	6.55	-53.32
CC(C)COC1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067327	0	50	0.0	-57.97	388.81	8.82	-49.15
O=C([O-])CN1CCCC([NH2+]CC2=NC3=C(CCCC3)S2)C1=O	REAL300012067328	1	43	0.0	-62.73	346.04	6.78	-55.95
O=C([O-])CN1CCCC([NH2+]CC2=CC(F)=CC(Br)=C2)C1=O	REAL300012067329	0	37	0.0	-68.14	325.03	7.71	-60.43
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC=NC=C3C=C2)C1=O	REAL300012067330	0	42	0.0	-69.58	338.34	7.51	-62.07
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(F)=C2Br)C1=O	REAL300012067331	1	37	0.0	-63.65	318.47	7.67	-55.98
COC1=CC(F)=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067332	0	41	0.0	-66.79	333.24	6.40	-60.39
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(Br)=C2F)C1=O	REAL300012067333	1	37	0.0	-65.14	322.33	7.69	-57.45
CC(C)(C)C1=NC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=N1	REAL300012067334	0	47	0.0	-69.58	368.96	6.98	-62.60
CS(=O)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067335	0	42	0.0	-75.09	349.54	5.62	-69.47
O=C([O-])CN1CCCC([NH2+]CC2=CC=C3CCCCC3=C2)C1=O	REAL300012067336	0	47	0.0	-61.94	360.03	9.52	-52.42
COC(=O)C1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CN1	REAL300012067337	0	41	0.0	-70.25	338.99	5.46	-64.79
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=C1OC	REAL300012067338	0	48	0.0	-68.15	373.43	7.01	-61.14
O=C([O-])CN1CCCC([NH2+]CC2=CSC(Cl)=C2Cl)C1=O	REAL300012067339	1	34	0.0	-64.21	318.35	7.03	-57.18
COC1=CC(C)=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067340	0	44	0.0	-58.49	346.71	7.07	-51.42
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C(F)(F)F)S2)C1=O	REAL300012067341	1	36	0.0	-74.64	323.59	5.44	-69.20
CS(=O)(=O)C1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067342	0	43	0.0	-75.34	358.04	4.54	-70.80
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=CS2)C1=O	REAL300012067343	0	34	0.0	-63.67	304.43	6.65	-57.02
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3CCCC3)C=C2)C1=O	REAL300012067344	0	50	0.0	-61.89	380.87	10.22	-51.67
CC1=CC(Cl)=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067345	0	40	0.0	-64.69	335.47	8.20	-56.49
COCC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067346	0	44	0.0	-64.08	352.39	6.76	-57.32
O=C([O-])CN1CCCC([NH2+]CC2=NC=CN2C2=CC=CC=C2)C1=O	REAL300012067347	1	44	0.0	-62.33	353.88	8.66	-53.67
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3CC3)C=C2)C1=O	REAL300012067348	0	44	0.0	-65.83	346.73	9.15	-56.68
O=C([O-])CN1CCCC([NH2+]CC2=CC=NN2C2CCCC2)C1=O	REAL300012067350	0	47	0.0	-68.43	363.48	7.53	-60.90
COC1=CC2=CC=CC=C2C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067351	0	47	0.0	-62.41	371.21	8.67	-53.74
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C(F)F)C=C2)C1=O	REAL300012067352	0	40	0.0	-67.00	329.52	7.90	-59.10
COC1=CC(C)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=N1	REAL300012067353	0	46	0.0	-67.38	358.15	4.77	-62.61
COC1=CC=CC(Cl)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067354	1	41	0.0	-54.40	339.53	6.81	-47.59
CCC1=CC(OC)=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067355	0	47	0.0	-63.43	360.34	7.61	-55.82
CC1=NC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)N1C1=CC=CC=C1	REAL300012067356	0	47	0.0	-61.48	372.43	9.45	-52.03
CCCN1N=C(C)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1C	REAL300012067357	0	49	0.0	-65.54	381.48	7.40	-58.14
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C3CC3)N=C2)C1=O	REAL300012067358	0	42	0.0	-70.33	339.33	6.69	-63.64
COCCN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=N1	REAL300012067359	0	44	0.0	-66.95	355.35	4.75	-62.20
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3CCC3)C=C2)C1=O	REAL300012067360	0	47	0.0	-61.96	363.09	9.62	-52.34
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC2=CC=CC=C21	REAL300012067361	0	47	0.0	-67.22	371.80	8.64	-58.58
CCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1F	REAL300012067362	0	44	0.0	-70.16	354.92	7.33	-62.83
COC1=CC=CC2=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=CC=C12	REAL300012067363	0	47	0.0	-66.65	366.63	8.53	-58.12
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1C#N	REAL300012067364	0	42	0.0	-76.46	347.04	6.74	-69.72
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067365	0	47	0.0	-67.33	372.17	8.88	-58.45
CC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1C#N	REAL300012067367	0	41	0.0	-72.80	337.34	7.92	-64.88
O=C([O-])CN1CCCC([NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C1=O	REAL300012067368	1	44	0.0	-69.76	361.06	5.34	-64.42
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(Br)=C1	REAL300012067369	1	41	0.0	-61.68	342.29	6.91	-54.77
CC(C)CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=N1	REAL300012067370	0	46	0.0	-65.63	358.53	7.29	-58.34
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2C2CC2)C1=O	REAL300012067371	0	44	0.0	-60.66	340.41	9.02	-51.64
CC1=CC(Br)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067372	0	37	0.0	-58.06	328.88	7.48	-50.58
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067373	0	52	0.0	-67.93	407.03	9.73	-58.20
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067374	1	47	0.0	-52.78	385.99	9.71	-43.07
CN1C(=O)CCC2=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CC=C21	REAL300012067375	0	48	0.0	-71.90	374.03	7.95	-63.95
CC1=CC=C(OC(F)F)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067376	0	44	0.0	-63.32	356.45	7.34	-55.98
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C1=O	REAL300012067377	0	43	0.0	-66.38	379.08	8.57	-57.81
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)C1=O	REAL300012067378	0	43	0.0	-68.87	366.87	8.29	-60.58
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067379	0	54	0.0	-59.62	422.94	10.52	-49.10
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)C1=O	REAL300012067380	0	48	0.0	-60.19	395.81	9.40	-50.79
CC1=NN(C(C)C)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067381	0	46	0.0	-65.52	360.05	6.82	-58.70
O=C([O-])CN1CCCC([NH2+]CC2=CC=NC3=C(Br)C=CC=C23)C1=O	REAL300012067382	0	42	0.0	-74.15	354.16	8.04	-66.11
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C3CCCC3)S2)C1=O	REAL300012067383	0	46	0.0	-63.95	369.24	7.67	-56.28
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)C1=O	REAL300012067384	0	43	0.0	-67.78	370.52	8.28	-59.50
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C3CC3)S2)C1=O	REAL300012067385	0	40	0.0	-64.53	335.25	6.67	-57.86
CC(C)C1=NC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067386	0	42	0.0	-67.00	346.49	6.34	-60.66
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C3=CC=CO3)S2)C1=O	REAL300012067387	0	40	0.0	-68.06	345.12	6.13	-61.93
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Br)C(Cl)=C2)C1=O	REAL300012067388	0	37	0.0	-69.36	333.46	8.10	-61.26
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)C1=O	REAL300012067389	0	49	0.0	-65.88	406.92	9.55	-56.33
CN1C=C(C2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=C2)C=N1	REAL300012067390	0	47	0.0	-67.87	377.45	8.33	-59.54
O=C([O-])CN1CCCC([NH2+]CC2=CN(CC(F)F)N=C2)C1=O	REAL300012067391	0	40	0.0	-68.67	334.67	5.99	-62.68
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C1=O	REAL300012067392	0	48	0.0	-69.00	393.19	9.98	-59.02
CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2=CC=C(F)C=C2)=N1	REAL300012067393	0	47	0.0	-67.00	375.73	8.22	-58.78
CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2=CC=C(C#N)C=C2)=N1	REAL300012067394	0	48	0.0	-62.69	388.13	8.53	-54.16
CN(C)C(=O)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)N1	REAL300012067395	0	45	0.0	-78.22	354.91	5.21	-73.01
NC(=O)C1=CSC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067396	0	38	0.0	-69.30	323.67	2.90	-66.40
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=N1	REAL300012067397	0	51	0.0	-66.51	407.69	10.33	-56.18
CCC1=NN(C)C(CC)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067398	0	49	0.0	-64.45	374.32	7.35	-57.10
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C3CCC3)S2)C1=O	REAL300012067399	0	43	0.0	-63.93	351.89	7.15	-56.78
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C3CCCO3)S2)C1=O	REAL300012067400	0	44	0.0	-67.18	361.39	5.25	-61.93
CN1N=C(Br)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067402	0	37	0.0	-72.23	319.66	5.08	-67.15
CN1C=C(C2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)S2)C=N1	REAL300012067403	0	44	0.0	-66.55	371.28	7.72	-58.83
O=C([O-])CN1CCCC([NH2+]CC2=CC=C3OCCCCOC3=C2)C1=O	REAL300012067404	0	49	0.0	-69.02	376.38	7.91	-61.11
CCOC1=C(Cl)C=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067405	0	44	0.0	-64.46	364.62	7.93	-56.53
CCC1=CC=CC(F)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067406	0	43	0.0	-57.75	337.69	8.30	-49.45
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(F)C(Cl)=C2Cl)C1=O	REAL300012067407	1	37	0.0	-68.43	331.08	7.99	-60.44
O=C([O-])CN1CCCC([NH2+]CC2=NN(C(F)F)C=C2)C1=O	REAL300012067408	1	37	0.0	-69.73	313.75	4.95	-64.78
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067409	0	48	0.0	-69.87	382.93	7.41	-62.46
O=C([O-])CN1CCCC([NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)C1=O	REAL300012067410	1	41	0.0	-57.61	347.29	6.92	-50.69
O=C([O-])CN1CCCC([NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)C1=O	REAL300012067411	0	44	0.0	-71.17	359.98	8.00	-63.17
CC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2=CN(C)N=C2)=C1	REAL300012067412	0	50	0.0	-54.80	393.88	8.86	-45.94
CC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2=CC=NN2C)=C1	REAL300012067413	0	50	0.0	-52.51	391.79	8.62	-43.89
CC(C)C1=CN=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067414	1	42	0.0	-61.11	345.45	6.33	-54.78
O=C([O-])CN1CCCC([NH2+]CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)C1=O	REAL300012067415	0	47	0.0	-71.32	394.87	9.24	-62.08
CC1=CC(Br)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1Cl	REAL300012067416	1	40	0.0	-60.14	349.05	8.69	-51.45
O=C([O-])CN1CCCC([NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)C1=O	REAL300012067417	1	47	0.0	-63.06	396.66	9.01	-54.05
CC(C)(C)C1=CN=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067418	1	45	0.0	-62.32	363.84	6.84	-55.48
O=C([O-])CN1CCCC([NH2+]CC2=C(C3CC3)N=CS2)C1=O	REAL300012067419	0	40	0.0	-64.16	332.80	6.47	-57.69
N#CCCN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2=CC=NC=C2)=N1	REAL300012067420	0	50	0.0	-78.74	407.94	7.94	-70.80
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)C1=O	REAL300012067421	0	43	0.0	-63.51	350.59	10.74	-52.77
COC(=O)C1=C(C)N(C)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067422	0	47	0.0	-71.88	374.56	7.51	-64.37
COCCCN1N=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067423	0	47	0.0	-71.03	370.14	5.37	-65.66
CC1=CC(F)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(Cl)=C1	REAL300012067424	1	40	0.0	-58.90	338.28	8.14	-50.76
COCCOCC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067425	0	51	0.0	-65.58	407.87	6.99	-58.59
O=C([O-])CN1CCCC([NH2+]CC2=CSC=C2C(F)(F)F)C1=O	REAL300012067427	0	37	0.0	-59.37	317.42	7.02	-52.35
CC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)SC2=C(Cl)C=CC=C12	REAL300012067428	0	43	0.0	-64.60	367.97	9.56	-55.04
O=C([O-])CN1CCCC([NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)C1=O	REAL300012067429	0	51	0.0	-69.59	420.76	9.44	-60.15
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(C3CC3)=C2)C1=O	REAL300012067430	0	44	0.0	-62.47	346.55	9.13	-53.34
N#CC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1F	REAL300012067431	0	38	0.0	-76.92	324.09	7.47	-69.45
O=C([O-])CN1CCCC([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C1=O	REAL300012067432	0	40	0.0	-73.37	336.93	6.13	-67.24
CC1=CC(F)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(F)=C1	REAL300012067433	1	40	0.0	-56.95	329.36	7.75	-49.20
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C2CCCN(CC(=O)[O-])C2=O)O1	REAL300012067434	0	47	0.0	-64.12	381.24	7.46	-56.66
CC(C)CN1N=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067435	0	46	0.0	-67.82	355.14	7.10	-60.72
O=C([O-])CN1CCCC([NH2+]CC2=CC(Br)=CN=C2Cl)C1=O	REAL300012067436	1	36	0.0	-64.90	325.60	6.26	-58.64
COC(=O)C1=C(C)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CN1	REAL300012067437	0	44	0.0	-70.60	354.87	6.05	-64.55
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)S2)C=C1C	REAL300012067438	0	49	0.0	-66.06	401.43	9.28	-56.78
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067439	0	47	0.0	-73.17	380.25	8.99	-64.18
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067440	0	47	0.0	-70.61	387.97	9.53	-61.08
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067441	0	50	0.0	-68.91	397.31	9.50	-59.41
CC(C)(C#N)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067442	0	47	0.0	-69.01	373.94	8.98	-60.03
CC(C)C1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067443	0	46	0.0	-60.34	351.06	8.81	-51.53
O=C([O-])CN1CCCC([NH2+]CC2=NN3CCCCC3=C2)C1=O	REAL300012067444	1	44	0.0	-62.09	341.92	6.37	-55.72
O=C([O-])CN1CCCC([NH2+]CC2=CN=NN2C2=CC=CC=C2)C1=O	REAL300012067445	1	43	0.0	-73.00	347.41	6.67	-66.33
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CN=CC=C3O2)C1=O	REAL300012067446	0	39	0.0	-69.50	319.94	5.82	-63.68
COC1=CC(OC)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1F	REAL300012067447	1	45	0.0	-64.42	361.23	5.76	-58.66
COC1=CC(F)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC	REAL300012067448	1	45	0.0	-66.02	360.47	6.28	-59.74
CC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(Cl)=C1	REAL300012067449	0	40	0.0	-60.19	330.67	8.18	-52.01
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067450	0	50	0.0	-69.06	397.30	9.50	-59.56
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(F)=C1	REAL300012067451	0	41	0.0	-63.69	331.59	6.36	-57.33
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC3=C2CCC3)C1=O	REAL300012067452	0	44	0.0	-61.73	341.56	8.85	-52.88
COC1=CC=CC(F)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067453	1	41	0.0	-55.65	330.79	6.42	-49.23
CCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=C1	REAL300012067454	0	50	0.0	-63.87	384.94	8.68	-55.19
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC=NC=C3S2)C1=O	REAL300012067455	0	39	0.0	-68.09	329.45	6.78	-61.31
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC(Br)=CC=C3O2)C1=O	REAL300012067456	0	40	0.0	-67.46	346.50	8.17	-59.29
CCC1=C2OC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CC2=CC=C1	REAL300012067457	0	46	0.0	-65.94	368.11	8.98	-56.96
O=C([O-])CN1CCCC([NH2+]CC2=CC=NN2CC2CC2)C1=O	REAL300012067459	0	44	0.0	-67.77	343.75	6.98	-60.79
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(OC3CC3)=C2F)C1=O	REAL300012067460	1	45	0.0	-65.28	362.92	8.05	-57.23
CCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=C1	REAL300012067461	0	47	0.0	-64.66	364.15	7.82	-56.84
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(F)=C2OC(F)F)C1=O	REAL300012067462	1	41	0.0	-64.78	341.54	6.75	-58.03
O=C([O-])CN1CCCC([NH2+]CC2=CC(F)=CC=C2OC(F)F)C1=O	REAL300012067463	1	41	0.0	-65.44	341.70	6.73	-58.71
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(C3CCCC3)=C2)C1=O	REAL300012067464	0	50	0.0	-61.89	381.56	10.24	-51.65
CN1C=C(C2=NN(C)C=C2C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=N1	REAL300012067465	0	47	0.0	-68.98	380.59	6.02	-62.96
COCC1=CSC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067466	0	41	0.0	-63.03	342.85	5.86	-57.17
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)C1=O	REAL300012067468	0	43	0.0	-65.93	379.09	8.57	-57.36
O=C([O-])CN1CCCC([NH2+]CC2=CSC(C(F)(F)F)=C2)C1=O	REAL300012067469	0	37	0.0	-68.42	327.96	7.17	-61.25
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C(F)(F)F)O2)C1=O	REAL300012067470	1	37	0.0	-68.51	319.25	6.39	-62.12
O=C([O-])CN1CCCC([NH2+]CC2=C(C(F)(F)F)SC=C2)C1=O	REAL300012067471	0	37	0.0	-61.74	319.11	7.16	-54.58
CN(C)C1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=CC(F)=C1F	REAL300012067472	0	45	0.0	-67.39	357.97	7.06	-60.33
CC(C)OC1=CC(Cl)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1Cl	REAL300012067474	1	47	0.0	-62.61	394.51	8.94	-53.67
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC3CCOC3)C=C2)C1=O	REAL300012067475	0	49	0.0	-66.71	383.05	6.68	-60.03
CN(C)C1=CC(F)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1F	REAL300012067476	1	45	0.0	-65.25	363.78	6.60	-58.65
COC(=O)C1=C2CCCCN2C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067477	0	51	0.0	-76.66	399.18	8.78	-67.88
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(F)C(F)=C2F)C1=O	REAL300012067478	1	37	0.0	-72.12	315.49	7.19	-64.93
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC(C(F)(F)F)=C1	REAL300012067479	0	44	0.0	-68.17	365.89	7.34	-60.83
C=CCOC1=C(Cl)C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC	REAL300012067480	0	49	0.0	-71.56	410.79	8.39	-63.17
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC1CC1	REAL300012067481	0	49	0.0	-69.83	387.11	7.90	-61.93
CN1N=C(C(F)(F)F)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067482	0	40	0.0	-76.36	339.29	5.56	-70.80
COCC(C)OC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067483	0	51	0.0	-66.65	399.04	7.25	-59.40
CCCC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067484	0	43	0.0	-60.57	352.42	8.49	-52.08
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C1=O	REAL300012067485	0	44	0.0	-65.51	364.69	9.65	-55.86
O=C([O-])CN1CCCC([NH2+]CC2=CC=NN2CCC2=CC=CC=C2)C1=O	REAL300012067486	0	50	0.0	-68.66	395.51	9.29	-59.37
CC(C)C1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067487	0	46	0.0	-61.82	357.55	8.95	-52.87
CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(Cl)=N1	REAL300012067488	1	37	0.0	-67.44	316.86	5.25	-62.19
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)C1=O	REAL300012067489	1	44	0.0	-69.20	374.42	7.89	-61.31
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1C(C)(C)C	REAL300012067490	0	53	0.0	-63.97	398.00	9.01	-54.96
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(CC3CCC3)=C2)C1=O	REAL300012067491	0	50	0.0	-61.99	388.38	10.54	-51.45
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067492	1	45	0.0	-56.47	370.14	6.25	-50.22
CC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=NC=C1Br	REAL300012067493	1	39	0.0	-64.82	332.14	6.39	-58.43
CC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C(Br)C=C1F	REAL300012067494	1	40	0.0	-62.93	339.51	8.32	-54.61
O=C([O-])CN1CCCC([NH2+]CC2=C(O)C=CC=C2Br)C1=O	REAL300012067495	0	38	0.0	-58.26	325.09	4.74	-53.52
CN1C=C(C2=NC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CS2)C=N1	REAL300012067496	1	43	0.0	-66.88	366.83	5.61	-61.27
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1Cl	REAL300012067497	0	41	0.0	-69.16	342.87	6.88	-62.28
O=C([O-])CN1CCCC([NH2+]CC2=CC=NN2CC2CCC2)C1=O	REAL300012067498	0	47	0.0	-64.78	365.96	7.56	-57.22
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2CC(F)(F)F)C1=O	REAL300012067500	0	43	0.0	-59.35	346.58	8.59	-50.76
CC(=O)NC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067502	0	44	0.0	-71.06	353.49	5.94	-65.12
CN1N=CC2=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CN=C21	REAL300012067503	0	42	0.0	-74.71	341.64	6.16	-68.55
COC1=CC(Cl)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC	REAL300012067505	1	45	0.0	-64.43	367.89	6.71	-57.72
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C1=O	REAL300012067506	0	43	0.0	-64.36	358.30	8.81	-55.55
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067507	0	57	0.0	-68.11	445.23	7.48	-60.63
CN1N=C2CCCCC2=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067508	0	47	0.0	-68.93	360.66	7.01	-61.92
CCOC(=O)C1=C(C)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C(C)N1	REAL300012067509	0	50	0.0	-68.35	397.38	7.42	-60.93
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(Cl)C(F)=C2)C1=O	REAL300012067510	0	36	0.0	-74.62	314.92	5.72	-68.90
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C1=O	REAL300012067511	0	47	0.0	-67.47	390.37	11.00	-56.47
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Br)C(F)=C2F)C1=O	REAL300012067512	1	37	0.0	-70.77	329.80	7.73	-63.04
O=C([O-])CN1CCCC([NH2+]CC2=C(Br)SC=C2)C1=O	REAL300012067513	1	34	0.0	-59.71	305.24	6.69	-53.02
CCOC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C(F)C=C1OC	REAL300012067514	1	48	0.0	-65.91	382.33	7.20	-58.71
COC1=NC=C(Br)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067515	1	40	0.0	-63.17	344.52	4.40	-58.77
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C1=O	REAL300012067516	0	43	0.0	-72.01	343.98	9.22	-62.79
O=C([O-])CN1CCCC([NH2+]CC2=CC=CN=C2Br)C1=O	REAL300012067517	1	36	0.0	-65.54	307.91	5.74	-59.80
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C(F)C=C1Br	REAL300012067518	1	41	0.0	-66.91	351.67	7.04	-59.87
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(Br)=C2Cl)C1=O	REAL300012067519	1	37	0.0	-63.41	328.55	8.07	-55.34
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)C1=O	REAL300012067520	1	41	0.0	-64.63	348.28	6.97	-57.66
CC(C)OC1=CC=C(F)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067521	1	47	0.0	-60.21	371.57	8.03	-52.18
CCOC1=CC(F)=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067522	0	44	0.0	-66.57	355.10	7.32	-59.25
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)C1=O	REAL300012067523	0	51	0.0	-75.17	393.19	8.05	-67.12
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC(F)F)C=C2F)C1=O	REAL300012067524	1	41	0.0	-67.70	341.34	6.64	-61.06
CC(C)(C)OC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067525	0	50	0.0	-63.30	378.01	8.17	-55.13
CC1=C(Cl)C=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067526	0	40	0.0	-64.54	326.16	8.10	-56.44
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C(F)C=C1C	REAL300012067527	0	44	0.0	-62.71	351.33	7.12	-55.59
CC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=C1Br	REAL300012067528	0	43	0.0	-64.38	348.39	8.76	-55.62
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067530	0	54	0.0	-66.91	419.38	7.27	-59.64
CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2=CC(F)=CC=C2F)=N1	REAL300012067531	0	47	0.0	-57.01	387.45	8.30	-48.71
CC(C)(C)C1=CSC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=N1	REAL300012067532	1	45	0.0	-62.86	363.09	6.76	-56.10
COCCC1=NC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067533	0	43	0.0	-66.32	359.18	4.82	-61.50
O=C([O-])CN1CCCC([NH2+]CC2=CC(Br)=CC(F)=C2O)C1=O	REAL300012067535	1	38	0.0	-68.30	334.38	4.93	-63.37
O=C([O-])CN1CCCC([NH2+]CC2=CC(F)=CC(F)=C2O)C1=O	REAL300012067536	1	38	0.0	-69.10	319.49	4.39	-64.71
CN1N=C2CCSCC2=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067537	0	45	0.0	-74.96	361.94	6.70	-68.26
CCN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2=CC=CC=C2)=N1	REAL300012067538	0	50	0.0	-56.07	389.09	9.02	-47.05
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC3=C2CCOC3)C1=O	REAL300012067539	0	45	0.0	-64.82	344.13	7.00	-57.82
COCC1=C(C)C=C(C)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1C	REAL300012067540	0	53	0.0	-61.76	398.74	8.27	-53.49
O=C([O-])CN1CCCC([NH2+]CC2=CC=C3OC(=O)OC3=C2)C1=O	REAL300012067541	0	39	0.0	-78.00	325.08	7.58	-70.42
CC1=C(Br)C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067542	0	37	0.0	-63.02	328.88	7.49	-55.53
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C1=O	REAL300012067543	0	47	0.0	-66.29	388.27	10.96	-55.33
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC3=NC=CC=C23)C1=O	REAL300012067544	0	42	0.0	-69.99	333.40	7.29	-62.70
CCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1C	REAL300012067545	0	50	0.0	-64.50	390.26	8.80	-55.70
O=C([O-])CN1CCCC([NH2+]CC2=CC3=NC=CN=C3C=C2)C1=O	REAL300012067546	0	41	0.0	-71.29	333.37	5.45	-65.84
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1COC1=CC=CC=C1	REAL300012067547	0	55	0.0	-65.66	435.27	9.76	-55.90
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1CN1C=CC=N1	REAL300012067548	0	51	0.0	-68.22	409.54	8.02	-60.20
CCOC1=CC=CC(F)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067549	1	44	0.0	-55.13	352.65	7.35	-47.78
CC1=CC=C(Br)C(F)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067550	0	40	0.0	-63.11	340.24	8.18	-54.93
CC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=CC=C1[N+](=O)[O-]	REAL300012067551	0	42	0.0	-75.70	337.48	8.22	-67.48
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067552	0	45	0.0	-72.40	354.01	8.58	-63.82
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(F)=C1OC	REAL300012067554	1	45	0.0	-69.02	365.38	6.37	-62.65
COC(=O)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(F)=C1	REAL300012067555	1	43	0.0	-69.13	356.84	7.72	-61.41
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)C1=O	REAL300012067556	0	47	0.0	-66.31	383.91	7.42	-58.89
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)C1=O	REAL300012067557	0	51	0.0	-64.80	408.60	10.30	-54.50
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2OCC(F)F)C1=O	REAL300012067558	0	44	0.0	-60.28	360.22	7.65	-52.63
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067559	0	55	0.0	-58.36	434.16	10.38	-47.98
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067560	0	53	0.0	-70.06	412.51	10.04	-60.02
CC1=CC(C#N)=CC(C)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067561	0	44	0.0	-69.41	351.11	8.49	-60.92
CCCC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067563	0	46	0.0	-61.83	361.72	9.25	-52.58
O=C([O-])CN1CCCC([NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)C1=O	REAL300012067564	1	43	0.0	-64.26	378.90	8.34	-55.92
COC1=CC=C(C2=NC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CS2)C=C1	REAL300012067565	1	47	0.0	-64.63	391.61	7.13	-57.50
CC1=C2C=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=NC2=NN1	REAL300012067567	0	42	0.0	-78.03	340.39	5.55	-72.48
CS(=O)(=O)NC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067568	0	45	0.0	-75.38	370.72	3.76	-71.62
CN1N=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C2=CC=CC=C21	REAL300012067569	1	43	0.0	-64.81	347.27	6.95	-57.86
O=C([O-])CN1CCCC([NH2+]CC2=C3C=CC=CC3=NN2)C1=O	REAL300012067570	0	40	0.0	-73.65	324.21	5.65	-68.00
O=C([O-])CN1CCCC([NH2+]CC2=NNC3=CC=CC=C32)C1=O	REAL300012067570	1	40	0.0	-65.39	324.41	5.66	-59.73
CN1C(Cl)=NC(Cl)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067571	1	37	0.0	-68.87	329.85	6.31	-62.56
O=C([O-])CN1CCCC([NH2+]CC2=NC=CC3=CC=CC=C32)C1=O	REAL300012067572	0	42	0.0	-63.00	335.06	7.33	-55.67
CC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)N2C=CC=CC2=N1	REAL300012067573	0	43	0.0	-70.39	343.81	8.00	-62.39
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CNC1CCCN(CC(=O)[O-])C1=O	REAL300012067574	0	57	0.0	-70.43	412.92	9.88	-60.55
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNC1CCCN(CC(=O)[O-])C1=O	REAL300012067574	1	57	0.0	-72.19	416.70	10.01	-62.18
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067574	1	57	0.0	-61.78	418.73	9.31	-52.47
O=C([O-])CN1CCCC([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C1=O	REAL300012067575	0	43	0.0	-71.41	353.51	5.26	-66.15
O=C([O-])CN1CCCC([NH2+]CC2=CSC=C2Cl)C1=O	REAL300012067576	1	34	0.0	-60.53	302.08	6.43	-54.10
CC1=NN2C(=NC(C)=C2C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067577	0	42	0.0	-66.85	351.69	6.21	-60.64
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067578	0	48	0.0	-66.21	393.65	7.50	-58.71
CCCC(C[NH2+]C1CCCN(CC(=O)[O-])C1=O)C1=CC=CC=C1	REAL300012067579	0	49	0.0	-65.30	372.23	9.69	-55.61
O=C([O-])CN1CCCC([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C1=O	REAL300012067580	0	42	0.0	-54.71	351.08	7.96	-46.75
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C(F)(F)F)S2)C1=O	REAL300012067581	0	37	0.0	-67.31	328.19	7.34	-59.97
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(OCC2=CC=CN=C2)=C1	REAL300012067582	0	54	0.0	-61.97	431.60	7.88	-54.09
O=C([O-])CN1CCCC([NH2+]CC2=NC3=CC=C(Br)C=C3S2)C1=O	REAL300012067583	1	39	0.0	-66.50	350.48	7.10	-59.40
CN(C)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C(F)(F)F)=C1	REAL300012067584	0	48	0.0	-57.09	376.50	8.49	-48.60
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067585	0	47	0.0	-64.54	379.41	9.66	-54.88
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067586	1	46	0.0	-66.72	387.54	8.62	-58.10
O=C([O-])CN1CCCC([NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C1=O	REAL300012067587	0	56	0.0	-65.56	434.38	10.54	-55.02
CC(C)C1CCC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)CC1	REAL300012067588	0	52	0.0	-60.28	374.43	9.11	-51.17
O=C([O-])CN1CCCC([NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)C1=O	REAL300012067589	1	40	0.0	-76.72	357.44	8.37	-68.35
O=C([O-])CN1CCCC([NH2+]CC2=CN3C=CC(Br)=CC3=N2)C1=O	REAL300012067590	1	40	0.0	-67.31	345.62	8.15	-59.16
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067591	0	48	0.0	-66.05	383.80	8.43	-57.62
COCC1=CC=CC=C1C=C(C)C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067592	0	51	0.0	-65.51	396.27	8.65	-56.86
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067593	0	47	0.0	-52.94	369.11	7.87	-45.07
O=C([O-])CN1CCCC([NH2+]CC2=CON=C2CC2=CC=CC=C2)C1=O	REAL300012067594	1	46	0.0	-72.14	371.47	8.70	-63.44
CN1N=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1Cl	REAL300012067595	1	37	0.0	-63.00	315.95	5.16	-57.84
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC=CN=C3O2)C1=O	REAL300012067596	0	39	0.0	-70.56	319.97	4.51	-66.05
COC1=CC=C(N2C=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=N2)C=C1	REAL300012067597	0	48	0.0	-70.85	385.65	7.53	-63.32
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067598	0	52	0.0	-62.45	417.30	10.39	-52.06
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C1=O	REAL300012067599	0	39	0.0	-70.80	336.74	5.00	-65.80
O=C([O-])CN1CCCC([NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C1=O	REAL300012067600	0	44	0.0	-63.32	346.49	9.15	-54.17
O=C([O-])CN1CCCC([NH2+]CC2=CC=NC=C2Br)C1=O	REAL300012067601	1	36	0.0	-63.46	309.03	5.79	-57.67
CS(=O)(=O)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067602	0	40	0.0	-74.82	350.42	3.72	-71.10
O=C([O-])CN1CCCC([NH2+]CC2=C(C3=CC=CC=C3)N(C3CCCC3)N=C2)C1=O	REAL300012067603	0	57	0.0	-58.08	435.31	11.20	-46.88
O=C([O-])CN1CCCC([NH2+]CC2=CC=NN2C2=CC=CC=N2)C1=O	REAL300012067604	0	43	0.0	-62.50	349.51	7.72	-54.78
NS(=O)(=O)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(F)=C1	REAL300012067605	1	42	0.0	-75.20	356.29	2.04	-73.16
CC1=C(Br)C=NC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067607	0	39	0.0	-67.34	325.72	6.40	-60.94
CN1N=CC(C(F)(F)F)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067608	1	40	0.0	-67.51	335.00	5.63	-61.88
CN1N=CC(C2CC2)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067609	0	44	0.0	-71.31	348.25	6.67	-64.64
CN1N=CC(C2CCC2)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067610	0	47	0.0	-68.37	364.43	7.18	-61.19
CC1=C2C=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)NC2=CC=C1	REAL300012067611	0	44	0.0	-67.54	350.16	7.62	-59.92
O=C([O-])CN1CCCC([NH2+]CC2=CC=NN2C2=CC=NC=C2)C1=O	REAL300012067612	0	43	0.0	-71.99	348.61	6.17	-65.82
CC1=CC=C2C=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)NC2=C1	REAL300012067613	0	44	0.0	-67.33	350.58	7.63	-59.70
CCOC1=CN=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067614	0	43	0.0	-67.38	343.62	5.43	-61.95
O=C([O-])CN1CCCC([NH2+]CC2=CC=NN2C2CCOCC2)C1=O	REAL300012067615	0	48	0.0	-70.82	372.99	5.64	-65.18
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC3=NNC=C32)C1=O	REAL300012067616	0	40	0.0	-72.39	323.38	5.73	-66.66
CCC(F)(F)C(C)(C)C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067617	0	45	0.0	-56.35	336.88	7.40	-48.95
O=C([O-])CN1CCCC([NH2+]CC2=CC=C3C=CNC3=C2)C1=O	REAL300012067618	0	41	0.0	-65.36	328.69	7.06	-58.30
O=C([O-])CN1CCCC([NH2+]CC2=CC3=C(C=CNC3=O)O2)C1=O	REAL300012067619	1	40	0.0	-74.15	329.94	4.51	-69.64
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C(F)F)N=C2)C1=O	REAL300012067620	0	39	0.0	-70.79	326.74	6.12	-64.67
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067621	0	46	0.0	-64.16	369.57	7.43	-56.73
COC1=CN=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1C	REAL300012067623	0	43	0.0	-66.64	335.80	5.21	-61.43
CC1=CC(C)=C(C=CC[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=C1	REAL300012067624	0	50	0.0	-64.52	387.35	10.16	-54.36
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)C1=O	REAL300012067625	0	57	0.0	-65.97	437.35	5.90	-60.07
CC(C)(C)OC(=O)NC(C[NH2+]C1CCCN(CC(=O)[O-])C1=O)CC(F)F	REAL300012067626	0	53	0.0	-74.01	407.71	5.82	-68.19
CN(C)C1=CC=C(F)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067628	0	45	0.0	-59.45	355.26	7.10	-52.35
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C1=O	REAL300012067629	0	42	0.0	-75.79	344.75	7.47	-68.32
CC1=CC(C)=C(C=CC[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1C	REAL300012067630	0	50	0.0	-63.47	384.26	10.06	-53.41
NS(=O)(=O)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067631	0	42	0.0	-76.32	351.51	1.99	-74.33
O=C([O-])CN1CCCC([NH2+]CC2=NC=CC3=C2CCCC3)C1=O	REAL300012067632	0	46	0.0	-60.50	349.67	7.56	-52.94
CC1=NN(C)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1Cl	REAL300012067633	1	40	0.0	-66.60	336.39	5.68	-60.92
CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2CCCC2)=N1	REAL300012067635	0	50	0.0	-66.48	385.66	7.94	-58.54
CC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1Br	REAL300012067636	1	40	0.0	-58.73	331.80	8.15	-50.58
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C1=O	REAL300012067637	0	48	0.0	-67.51	393.19	9.97	-57.54
O=C([O-])CN1CCCC([NH2+]CC2=CC=C3OCCCC3=C2)C1=O	REAL300012067638	0	45	0.0	-65.26	351.04	7.65	-57.61
CN(C)C(=O)C1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067639	0	47	0.0	-69.06	369.24	6.87	-62.19
CCC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(Cl)=NN1	REAL300012067640	1	40	0.0	-63.14	330.83	5.24	-57.90
O=C([O-])CN1CCCC([NH2+]CC2=C(C3CC3)NN=C2Cl)C1=O	REAL300012067641	1	41	0.0	-63.25	344.60	6.01	-57.24
CC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C2CCCCC2=N1	REAL300012067642	0	49	0.0	-67.65	369.96	8.23	-59.42
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2N2CCCCC2)C1=O	REAL300012067643	0	52	0.0	-59.44	391.87	9.04	-50.40
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C(F)F)C(F)=C2)C1=O	REAL300012067645	0	40	0.0	-70.19	336.53	7.99	-62.20
COC(=O)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1C	REAL300012067646	0	46	0.0	-71.18	368.17	8.23	-62.95
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=C1	REAL300012067647	0	44	0.0	-64.23	341.59	6.96	-57.27
CC1=C(Cl)C=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1Cl	REAL300012067648	1	40	0.0	-63.16	342.83	8.50	-54.66
N#CC1=CC=C(Br)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067649	1	38	0.0	-65.45	333.59	8.01	-57.44
CC1CC2=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CC=C2O1	REAL300012067650	0	45	0.0	-66.13	354.25	7.63	-58.50
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC3=C2OC(=O)N3)C1=O	REAL300012067651	0	40	0.0	-69.16	329.28	4.53	-64.63
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC3=C2OCC3)C1=O	REAL300012067652	0	42	0.0	-59.77	332.97	6.87	-52.90
CSCC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067653	0	44	0.0	-63.58	363.45	8.92	-54.66
O=C([O-])CN1CCCC([NH2+]CC2=CN(CC3CCC3)N=C2)C1=O	REAL300012067654	0	47	0.0	-66.08	369.60	7.78	-58.30
CN1N=C2CCOCC2=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067655	0	45	0.0	-74.34	352.83	4.64	-69.70
CN1N=C2CCCC2=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067656	0	44	0.0	-71.63	344.26	6.50	-65.13
O=C([O-])CN1CCCC([NH2+]CC2=CC=NN2C2CCC2)C1=O	REAL300012067657	0	44	0.0	-68.44	346.11	6.82	-61.62
O=C([O-])CN1CCCC([NH2+]CC2=CN(C3CCC3)N=C2)C1=O	REAL300012067658	0	44	0.0	-65.45	345.50	6.81	-58.64
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067659	0	50	0.0	-59.41	400.07	8.61	-50.80
COC(=O)COC1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067660	0	47	0.0	-60.89	381.72	7.99	-52.90
COC1=CC=C(C)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067661	0	44	0.0	-62.11	341.60	6.96	-55.15
CN1C=NC2=CC=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=C21	REAL300012067662	0	43	0.0	-64.64	333.99	8.24	-56.40
CN(C)C(=O)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067663	0	47	0.0	-74.74	367.95	6.87	-67.87
CC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=C1C	REAL300012067664	0	46	0.0	-60.80	346.83	8.77	-52.03
CCNC(=O)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067665	0	47	0.0	-72.93	375.29	6.16	-66.77
CC(C)(C)C1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067666	0	49	0.0	-49.00	350.56	9.41	-39.59
O=C([O-])CN1CCCC([NH2+]CC2=CN=C3CCCCCN23)C1=O	REAL300012067667	0	47	0.0	-68.29	353.59	7.44	-60.85
COC1=CC=C2SC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CC2=C1	REAL300012067668	0	44	0.0	-69.47	364.46	7.86	-61.61
CCN(CC)C(=O)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067669	0	53	0.0	-74.43	408.02	8.76	-65.67
CCN1CCC2=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CC=C21	REAL300012067670	0	49	0.0	-64.06	369.77	7.16	-56.90
CCN(C)C(=O)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067671	0	50	0.0	-74.63	389.76	7.88	-66.75
CC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=NN1C(C)C	REAL300012067672	0	46	0.0	-64.41	360.27	6.81	-57.60
CSC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1Cl	REAL300012067673	0	41	0.0	-68.51	352.56	8.50	-60.01
CC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1C1CC1	REAL300012067674	0	47	0.0	-62.30	363.75	9.66	-52.64
CCOC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=N1	REAL300012067675	0	43	0.0	-68.36	346.27	4.67	-63.69
CC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1C1CC1	REAL300012067676	0	47	0.0	-62.20	363.76	9.66	-52.54
CC1=NN(C2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C(C)=C2)C=C1	REAL300012067677	0	50	0.0	-70.47	392.49	9.44	-61.03
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1=O	REAL300012067678	0	43	0.0	-68.69	368.53	8.91	-59.78
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067679	0	47	0.0	-70.36	388.28	9.28	-61.08
CCC1=CC(Br)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067680	1	40	0.0	-57.99	350.36	8.26	-49.73
CC1=NN(C2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=C2)C=C1Cl	REAL300012067681	0	47	0.0	-70.46	394.24	9.31	-61.15
COC(=O)C1=CC2=C(C=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)O2)N1	REAL300012067682	0	44	0.0	-72.29	365.92	5.82	-66.47
COCCOC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)O1	REAL300012067683	1	45	0.0	-66.81	366.57	5.78	-61.03
CC(C)(C[NH2+]C1CCCN(CC(=O)[O-])C1=O)C1=CC=C(Br)C=C1	REAL300012067684	0	46	0.0	-63.67	366.73	9.36	-54.31
CC1=NN(C(C)C)C(C)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067685	0	49	0.0	-65.47	379.73	7.32	-58.15
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=CC(Br)=C2)C1=O	REAL300012067686	0	37	0.0	-67.22	335.35	8.14	-59.08
CC1=CC=C(C2=CC=CC=C2C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=C1	REAL300012067687	0	53	0.0	-59.60	407.94	11.53	-48.07
CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2CC2)=N1	REAL300012067688	0	44	0.0	-66.71	352.14	7.02	-59.69
COC1=CC=CC(C2=CSC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=N2)=C1	REAL300012067689	1	47	0.0	-65.78	389.90	7.09	-58.69
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067690	0	57	0.0	-68.32	445.23	7.49	-60.83
COC(=O)C1=C2COCCN2C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067691	0	49	0.0	-73.31	390.83	6.40	-66.91
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)C1=O	REAL300012067692	0	54	0.0	-75.04	411.23	8.92	-66.12
CN1N=C(C2CC2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067693	0	44	0.0	-69.72	349.66	6.67	-63.05
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067694	0	47	0.0	-69.99	368.13	10.03	-59.96
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C(F)(F)F)C(Cl)=C2Cl)C1=O	REAL300012067695	1	40	0.0	-70.39	360.39	8.84	-61.55
O=C([O-])CN1CCCC([NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)C1=O	REAL300012067696	0	41	0.0	-65.12	353.37	5.95	-59.17
O=C([O-])CN1CCCC([NH2+]CC2=CN=C(C3CCOCC3)O2)C1=O	REAL300012067697	1	47	0.0	-68.04	369.60	3.49	-64.55
COC1=NC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1F	REAL300012067698	1	40	0.0	-69.35	330.00	3.78	-65.57
O=C([O-])CN1CCCC([NH2+]CC2=C(Cl)C=CC=C2Br)C1=O	REAL300012067699	1	37	0.0	-54.08	329.46	7.94	-46.14
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(F)C(Br)=C2F)C1=O	REAL300012067700	1	37	0.0	-70.36	329.21	7.71	-62.65
O=C([O-])CN1CCCC([NH2+]CC2=CN3C=CN=C3S2)C1=O	REAL300012067701	0	37	0.0	-75.96	314.71	6.99	-68.97
CC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C(C(C)(C)C)O1	REAL300012067702	0	49	0.0	-61.90	380.04	8.58	-53.32
CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)CC1	REAL300012067704	0	57	0.0	-67.31	420.92	8.06	-59.25
CC1=CC(Br)=CN=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067705	1	39	0.0	-63.44	330.70	6.33	-57.11
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)C1=O	REAL300012067706	0	43	0.0	-72.19	371.21	4.95	-67.24
CC1OC2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=C2C1C	REAL300012067707	0	48	0.0	-66.16	374.99	8.24	-57.92
CC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OC(F)F	REAL300012067708	0	44	0.0	-63.56	356.67	7.36	-56.20
CC1=NC(Cl)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1Br	REAL300012067709	1	39	0.0	-69.58	344.20	6.80	-62.78
CC(C)CC1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067710	0	49	0.0	-59.47	366.39	9.45	-50.02
CC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)NN=C1C(F)(F)F	REAL300012067712	0	40	0.0	-73.37	332.83	4.90	-68.47
O=C([O-])CN1CCCC([NH2+]CC2=NC(C3CC3)=CS2)C1=O	REAL300012067714	1	40	0.0	-62.11	333.17	6.27	-55.84
O=C([O-])CN1CCCC([NH2+]CC2=CC(C(F)(F)F)=NN2)C1=O	REAL300012067715	1	37	0.0	-74.18	318.59	4.39	-69.79
O=C([O-])CN1CCCC([NH2+]CC2=CC=C3CCOC3=C2)C1=O	REAL300012067716	0	42	0.0	-65.55	333.18	6.87	-58.68
CSC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067719	0	41	0.0	-63.87	337.55	8.04	-55.83
CC(C)C1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)N(C)N=C1	REAL300012067720	0	46	0.0	-67.74	359.47	6.52	-61.22
CC1=C(Br)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C(C)S1	REAL300012067721	1	40	0.0	-58.76	345.14	7.94	-50.82
CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2=CC=CC(F)=C2)=N1	REAL300012067722	0	47	0.0	-54.96	373.92	8.12	-46.84
CCCN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=N1	REAL300012067723	0	46	0.0	-66.47	362.80	7.05	-59.42
O=C([O-])CN1CCCC([NH2+]CC2=CC3=NC=CC=C3O2)C1=O	REAL300012067724	0	39	0.0	-70.08	319.96	5.75	-64.33
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(CC3CC3)S2)C1=O	REAL300012067725	0	44	0.0	-64.90	362.71	9.29	-55.61
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC3CC3)C=C2)C1=O	REAL300012067726	0	45	0.0	-65.74	357.88	7.99	-57.75
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C1=O	REAL300012067727	1	41	0.0	-67.31	348.08	6.85	-60.46
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1=O	REAL300012067728	0	43	0.0	-67.33	368.52	8.91	-58.42
CC1=NC=CN1C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=C1	REAL300012067729	0	50	0.0	-71.07	391.96	10.12	-60.95
CC1=C(C)N(C2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=C2)C=N1	REAL300012067730	0	50	0.0	-72.75	395.07	10.64	-62.11
CNC(=O)C1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067731	0	44	0.0	-69.55	353.81	5.30	-64.25
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C1=O	REAL300012067732	0	51	0.0	-62.64	392.28	11.06	-51.58
CCNC(=O)C1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067734	0	47	0.0	-69.27	375.30	6.14	-63.13
CC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)OC2=CC=C(F)C=C12	REAL300012067735	0	43	0.0	-67.27	352.03	8.25	-59.02
O=C([O-])CN1CCCC([NH2+]CC2=CC(C3CCC3)=NN2)C1=O	REAL300012067736	0	44	0.0	-68.83	344.44	5.94	-62.89
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067737	0	47	0.0	-71.77	377.55	8.19	-63.58
CC(C)(C)C1=CN=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067738	0	48	0.0	-65.92	368.73	7.53	-58.39
O=C([O-])CN1CCCC([NH2+]CC2=CC3=C(Br)C=CC=C3S2)C1=O	REAL300012067739	0	40	0.0	-63.78	355.15	9.14	-54.64
O=C([O-])CN1CCCC([NH2+]CC2=NN(CC(F)(F)F)C=C2)C1=O	REAL300012067740	1	40	0.0	-70.75	339.78	6.13	-64.62
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)C1=O	REAL300012067741	0	47	0.0	-63.74	366.35	8.97	-54.77
CN1C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=NC2=C1CCCC2	REAL300012067742	1	47	0.0	-65.02	360.91	7.72	-57.30
COC1=NC(Cl)=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067743	1	40	0.0	-66.40	339.88	4.23	-62.17
CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C(F)(F)F)=N1	REAL300012067744	0	40	0.0	-67.44	334.21	5.81	-61.63
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(C(F)F)=C2F)C1=O	REAL300012067745	1	40	0.0	-66.84	333.18	7.90	-58.94
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC3=C2COCC3)C1=O	REAL300012067746	0	45	0.0	-63.83	344.12	7.04	-56.79
CCOC1=CC=C(Cl)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067747	0	44	0.0	-59.77	364.14	7.82	-51.95
O=C([O-])CN1CCCC([NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C1=O	REAL300012067749	0	44	0.0	-67.06	352.98	6.91	-60.15
O=C([O-])CN1CCCC([NH2+]CC2=CC3=C(CCCC3)O2)C1=O	REAL300012067750	1	44	0.0	-62.61	341.61	7.86	-54.75
O=C([O-])CN1CCCC([NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C1=O	REAL300012067751	0	39	0.0	-77.41	331.95	7.77	-69.64
O=C([O-])CN1CCCC([NH2+]CC2=CN(C3CCCCC3)N=C2)C1=O	REAL300012067752	0	50	0.0	-65.49	381.98	8.08	-57.41
O=C([O-])CN1CCCC([NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)C1=O	REAL300012067753	1	44	0.0	-65.45	371.15	8.51	-56.94
CN(CCO)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=N1	REAL300012067755	0	48	0.0	-66.73	376.90	4.60	-62.13
COC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=CC=C1C(C)(C)C	REAL300012067756	0	53	0.0	-61.45	392.34	8.87	-52.58
COC1=CC(C)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=N1	REAL300012067758	0	43	0.0	-67.36	339.58	4.36	-63.00
COC1=CC(C)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1O	REAL300012067759	0	45	0.0	-66.64	352.33	4.79	-61.85
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C1=O	REAL300012067760	0	43	0.0	-68.18	354.08	6.14	-62.04
CN1C(=O)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC2=CC=CC=C21	REAL300012067761	0	46	0.0	-66.18	363.81	7.81	-58.37
COC1=NC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1C	REAL300012067762	1	43	0.0	-64.01	344.63	4.42	-59.59
CC1=CC(C)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=C1Br	REAL300012067763	0	46	0.0	-66.85	366.86	9.20	-57.65
O=C([O-])CN1CCCC([NH2+]CC=CC2=CC=C3OCOC3=C2)C1=O	REAL300012067764	0	44	0.0	-68.87	354.44	6.98	-61.89
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(CC3CCC3)C=C2)C1=O	REAL300012067765	0	50	0.0	-61.56	388.40	10.55	-51.01
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067766	0	47	0.0	-69.69	393.53	7.80	-61.89
CCC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=NN1CC	REAL300012067767	0	46	0.0	-63.69	351.45	6.78	-56.91
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067769	0	54	0.0	-68.80	419.21	7.29	-61.51
O=C([O-])CN1CCCC([NH2+]CC2=CC=NN2C2CC2(F)F)C1=O	REAL300012067770	0	41	0.0	-73.60	341.04	6.57	-67.03
CC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C(F)(F)F)=CO1	REAL300012067771	0	40	0.0	-61.08	335.89	6.82	-54.26
CC(F)(F)C1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067772	0	43	0.0	-66.88	350.55	8.55	-58.33
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1=O	REAL300012067773	0	43	0.0	-68.67	360.26	7.81	-60.86
CN1C=C(C2=NNC=C2C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=N1	REAL300012067774	0	44	0.0	-69.14	357.68	4.72	-64.42
CCCN1N=C(C)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1Cl	REAL300012067775	1	46	0.0	-66.16	380.03	7.34	-58.82
CC(C)(C#N)C1=NC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)S1	REAL300012067776	0	43	0.0	-70.18	363.44	6.45	-63.73
COC1=CC=C(Br)C(F)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067777	1	41	0.0	-58.17	351.40	7.03	-51.14
O=C([O-])CN1CCCC([NH2+]CC2=CC(F)=CC(F)=C2F)C1=O	REAL300012067779	1	37	0.0	-67.83	314.80	7.20	-60.63
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C1=O	REAL300012067780	0	44	0.0	-64.72	362.90	9.46	-55.26
CC(C)(C)C1=NNC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067781	0	46	0.0	-68.42	359.31	5.87	-62.55
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C1=O	REAL300012067782	0	43	0.0	-66.99	354.95	9.67	-57.32
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Cl)C(Br)=C2F)C1=O	REAL300012067783	1	37	0.0	-69.30	338.33	8.13	-61.17
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2OC2CCCCC2)C1=O	REAL300012067784	0	54	0.0	-57.69	406.81	9.91	-47.78
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1=O	REAL300012067785	0	48	0.0	-67.49	403.51	10.43	-57.06
C=CCC1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067786	0	44	0.0	-60.72	344.47	8.90	-51.82
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2COC2CCCCC2)C1=O	REAL300012067787	0	57	0.0	-63.80	427.50	10.54	-53.26
COC1=CC=CC(OC2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=C2)=C1	REAL300012067788	0	52	0.0	-71.18	416.29	9.21	-61.97
CCN1CCCC2=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=CC=C21	REAL300012067789	0	52	0.0	-63.16	386.26	8.16	-55.00
COCC1=CN=C(OC)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067790	1	47	0.0	-62.80	377.16	3.56	-59.24
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067792	0	52	0.0	-71.92	415.76	9.78	-62.14
COC1=C(Br)C=CC(F)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067793	1	41	0.0	-60.09	352.41	7.10	-52.99
COCC1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067794	0	44	0.0	-64.04	343.74	6.88	-57.16
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)C1=O	REAL300012067795	0	50	0.0	-66.63	406.42	11.70	-54.93
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C1=O	REAL300012067796	0	41	0.0	-67.54	353.73	8.48	-59.06
O=C([O-])CN1CCCC([NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)C1=O	REAL300012067797	0	50	0.0	-67.58	390.53	7.70	-59.88
O=C([O-])CN1CCCC([NH2+]CC2=CC=C3CCOCC3=C2)C1=O	REAL300012067798	0	45	0.0	-65.20	351.04	7.12	-58.08
CC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)SC2=CC(F)=CC=C12	REAL300012067799	0	43	0.0	-65.42	358.01	9.17	-56.25
O=C([O-])CN1CCCC([NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C1=O	REAL300012067800	0	43	0.0	-74.34	351.94	5.19	-69.15
COC1=CC=C(F)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1OC	REAL300012067801	1	45	0.0	-59.56	362.71	6.36	-53.20
CN1C=CC(C2=NNC=C2C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=N1	REAL300012067802	0	44	0.0	-63.37	357.48	5.10	-58.27
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2OCCC2CCCCC2)C1=O	REAL300012067804	0	60	0.0	-58.05	449.41	11.33	-46.72
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(OCC3CCC3)=C2)C1=O	REAL300012067805	0	51	0.0	-63.48	396.92	9.38	-54.10
CC(F)(F)C1=CC=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067806	0	43	0.0	-55.06	337.75	8.56	-46.50
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OCCO	REAL300012067807	0	49	0.0	-72.01	389.31	4.07	-67.94
CCN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2CC2)=N1	REAL300012067808	0	47	0.0	-66.65	373.68	7.88	-58.77
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1OCCO	REAL300012067809	0	49	0.0	-71.18	389.31	4.07	-67.11
CN1C=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2=CC=NN2C)=N1	REAL300012067810	0	47	0.0	-55.82	379.10	5.98	-49.84
CC(C)(C)C1=NOC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067811	1	45	0.0	-67.22	341.98	6.75	-60.47
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CN=CC=C3C=C2)C1=O	REAL300012067812	0	42	0.0	-69.91	338.33	7.51	-62.40
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC=C1OCC1CCCO1	REAL300012067813	0	56	0.0	-71.90	435.01	7.67	-64.23
CC1=CC2=CC=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=C2O1	REAL300012067814	0	43	0.0	-62.71	346.56	8.18	-54.53
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C1=O	REAL300012067815	0	40	0.0	-65.34	326.51	7.91	-57.43
O=C([O-])CN1CCCC([NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)C1=O	REAL300012067816	1	44	0.0	-58.49	372.22	7.81	-50.68
COC1=CSC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1OC	REAL300012067817	0	42	0.0	-60.74	346.53	5.18	-55.56
O=C([O-])CN1CCCC([NH2+]CC2=CON=C2C2CCC2)C1=O	REAL300012067818	1	43	0.0	-69.38	342.02	7.11	-62.27
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CN=C(C(F)F)S3)C=C2)C1=O	REAL300012067819	0	46	0.0	-68.92	394.65	8.77	-60.15
CS(=O)(=O)C1=COC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067822	1	40	0.0	-77.26	341.33	2.63	-74.63
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C1=O	REAL300012067823	1	40	0.0	-67.77	340.83	8.08	-59.69
CC(C)OC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1F	REAL300012067824	0	47	0.0	-70.09	373.41	8.00	-62.09
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(F)C(Cl)=C2F)C1=O	REAL300012067826	1	37	0.0	-70.29	324.95	7.61	-62.68
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(C(F)F)=C2)C1=O	REAL300012067827	0	40	0.0	-64.86	329.50	7.89	-56.97
O=C([O-])CN1CCCC([NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C1=O	REAL300012067828	0	43	0.0	-63.73	347.95	9.29	-54.44
CS(=O)(=O)C1=CSC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067829	0	40	0.0	-69.41	349.57	3.63	-65.78
O=C([O-])CN1CCCC([NH2+]CC2=CSC(Cl)=C2)C1=O	REAL300012067830	0	34	0.0	-65.39	304.36	6.59	-58.80
CC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=NN1C1CCC1	REAL300012067831	0	47	0.0	-64.60	365.14	7.51	-57.09
O=C([O-])CN1CCCC([NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)C1=O	REAL300012067832	0	44	0.0	-68.18	372.89	8.76	-59.42
CC1=NN(C2CCCC2)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067833	0	50	0.0	-68.71	385.44	8.09	-60.62
O=C([O-])CN1CCCC([NH2+]CC2=CC=NN2CC(F)F)C1=O	REAL300012067834	0	40	0.0	-67.51	327.24	5.81	-61.70
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Br)C=C2OC2CC2)C1=O	REAL300012067835	0	45	0.0	-61.50	377.73	8.68	-52.82
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067836	0	47	0.0	-65.49	377.03	7.70	-57.79
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)C1=O	REAL300012067837	0	40	0.0	-64.41	334.44	8.27	-56.14
O=C([O-])CN1CCCC([NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C1=O	REAL300012067840	0	44	0.0	-68.69	362.57	8.31	-60.38
CN(C)C1=CN=CC(F)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067841	1	44	0.0	-57.94	351.15	5.13	-52.81
COC1=NC(C)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=C1Cl	REAL300012067842	0	46	0.0	-72.71	371.67	5.28	-67.43
O=C([O-])CN1CCCC([NH2+]CC2=NN(C3CCC3)C=C2)C1=O	REAL300012067844	1	44	0.0	-61.60	345.55	6.71	-54.89
O=C([O-])CN1CCCC([NH2+]CC2=NN(CC(F)F)C=C2)C1=O	REAL300012067845	1	40	0.0	-65.23	333.58	5.93	-59.30
O=C([O-])CN1CCCC([NH2+]CC2=NN(C3CC3(F)F)C=C2)C1=O	REAL300012067846	1	41	0.0	-65.89	343.25	6.47	-59.42
CC1=NN(C2CCCCC2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067847	0	53	0.0	-65.52	401.59	8.67	-56.85
O=C([O-])CN1CCCC([NH2+]CC2=CN(C3CCOCC3)N=C2)C1=O	REAL300012067848	0	48	0.0	-65.70	372.76	5.69	-60.01
CC1=NN(C2CCOCC2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067849	0	51	0.0	-65.88	392.37	6.26	-59.62
O=C([O-])CN1CCCC([NH2+]CC2=CC(Br)=CC3=CC=CN=C32)C1=O	REAL300012067850	0	42	0.0	-61.39	358.70	8.15	-53.24
O=C([O-])CN1CCCC([NH2+]CC2=NN(C3CCCC3)C=C2)C1=O	REAL300012067851	1	47	0.0	-60.97	361.58	7.31	-53.66
NS(=O)(=O)C1=CSC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067852	1	39	0.0	-70.19	343.10	1.04	-69.15
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)C1=O	REAL300012067854	0	52	0.0	-75.28	402.04	6.48	-68.80
CC1=NN(C2CCCC2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067855	0	50	0.0	-65.20	382.70	8.07	-57.13
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC=C2C(F)F)C1=O	REAL300012067856	0	40	0.0	-60.55	320.32	7.98	-52.57
CC1=CC(Br)=C(F)C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067857	1	40	0.0	-65.51	344.12	8.33	-57.18
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Br)C(Cl)=C2F)C1=O	REAL300012067858	1	37	0.0	-69.29	338.48	8.13	-61.16
COC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1Br	REAL300012067859	1	41	0.0	-62.16	342.22	6.94	-55.22
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CNN=C3C=C2)C1=O	REAL300012067860	0	40	0.0	-71.92	323.58	5.75	-66.17
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(Cl)C(F)=C2F)C1=O	REAL300012067861	1	37	0.0	-70.73	325.38	7.62	-63.11
CN1C=C(C2=CC=CC(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)=C2)C=N1	REAL300012067862	0	47	0.0	-67.66	377.45	8.33	-59.33
COC1=CC(F)=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1Br	REAL300012067863	1	41	0.0	-64.32	351.67	7.05	-57.27
O=C([O-])CN1CCCC([NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)C1=O	REAL300012067864	0	47	0.0	-83.21	383.90	9.44	-73.77
CC1=CC=C(Br)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067865	0	40	0.0	-63.43	334.10	8.21	-55.22
COC1=C(C#N)C=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067866	0	42	0.0	-71.63	346.98	6.84	-64.79
COC1=NC2=CC=C(C[NH2+]C3CCCN(CC(=O)[O-])C3=O)C=C2S1	REAL300012067867	0	43	0.0	-71.05	361.74	4.85	-66.20
O=C([O-])CN1CCCC([NH2+]CC2=CC=NC(Br)=C2)C1=O	REAL300012067868	0	36	0.0	-71.18	313.68	5.76	-65.42
O=C([O-])CN1CCCC([NH2+]CC2=CC(F)=CC(Cl)=C2Cl)C1=O	REAL300012067869	1	37	0.0	-64.97	330.84	8.04	-56.93
CC1=NC(Cl)=CC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067870	0	39	0.0	-70.27	324.15	6.27	-64.00
CC(C)(C)COC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067871	0	53	0.0	-63.15	409.12	9.37	-53.78
O=C([O-])CN1CCCC([NH2+]CC2=CC(Br)=CC(Cl)=C2F)C1=O	REAL300012067872	1	37	0.0	-65.93	339.59	8.18	-57.75
COC1=CC(Cl)=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067873	0	41	0.0	-65.90	343.56	6.84	-59.06
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)C1=O	REAL300012067874	1	40	0.0	-71.83	348.90	8.39	-63.44
COC1=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=CC(F)=C1F	REAL300012067875	0	41	0.0	-75.43	339.35	6.46	-68.97
COC1=CC(C)=NC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067876	1	43	0.0	-61.73	342.62	5.23	-56.50
CN1N=CC=C1C1=NNC=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067877	0	44	0.0	-56.01	357.23	4.62	-51.39
CC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C2CC2)=NO1	REAL300012067878	1	43	0.0	-68.39	345.91	7.42	-60.97
COC(=O)C1=C(C)NC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1C	REAL300012067879	0	47	0.0	-72.99	380.10	6.78	-66.21
CC(C)OC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)O1	REAL300012067880	1	44	0.0	-65.16	353.24	7.26	-57.90
CC1=CC(Br)=CC(C)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067881	0	43	0.0	-64.19	351.65	8.71	-55.48
O=C([O-])CN1CCCC([NH2+]CC2=C(O)C=CC(F)=C2Br)C1=O	REAL300012067882	0	38	0.0	-60.35	330.80	4.77	-55.58
O=C([O-])CN1CCCC([NH2+]CC2=C(Cl)C=CC3=C2OCO3)C1=O	REAL300012067883	1	40	0.0	-57.12	337.42	6.09	-51.03
N#CC1=CC(F)=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067884	0	38	0.0	-74.21	324.60	7.48	-66.73
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3CCCCC3)C=C2)C1=O	REAL300012067885	0	53	0.0	-61.68	399.18	10.84	-50.84
COC1=CC=CC=C1C=CC[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067886	0	45	0.0	-62.40	356.75	7.69	-54.71
CC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)SC(Br)=C1	REAL300012067887	0	37	0.0	-63.33	327.62	7.42	-55.91
CC1=NN(C2CCC2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067888	0	47	0.0	-65.80	365.25	7.40	-58.40
CC1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=NN1CC(F)F	REAL300012067889	0	43	0.0	-69.52	352.80	6.47	-63.05
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C1=O	REAL300012067890	0	45	0.0	-71.09	366.51	7.37	-63.72
CCCN1N=C(C)C(Cl)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067891	1	46	0.0	-65.29	379.70	7.29	-58.00
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067892	1	49	0.0	-68.86	395.47	9.12	-59.74
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067893	0	44	0.0	-73.52	360.65	6.28	-67.24
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C1=O	REAL300012067894	0	50	0.0	-63.56	400.12	11.49	-52.07
CCCCC(=O)NC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067895	0	53	0.0	-67.64	416.97	8.28	-59.36
COC1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=N1	REAL300012067896	0	43	0.0	-68.08	339.46	4.33	-63.75
CCN(C)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C(C)=C1	REAL300012067897	0	51	0.0	-60.77	385.39	9.01	-51.76
O=C([O-])CN1CCCC([NH2+]CC2=CC(Cl)=CN=C2Br)C1=O	REAL300012067898	1	36	0.0	-64.30	324.65	6.22	-58.08
O=C([O-])CN1CCCC([NH2+]CC2=C(Cl)C(Cl)=CS2)C1=O	REAL300012067899	1	34	0.0	-61.98	318.78	7.07	-54.91
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067900	0	58	0.0	-62.40	423.10	9.10	-53.30
COC1=CC(C)=CC(OC)=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067901	1	48	0.0	-54.38	375.06	6.41	-47.97
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C1=O	REAL300012067902	0	41	0.0	-70.23	359.36	7.37	-62.86
O=C([O-])CN1CCCC([NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C1=O	REAL300012067903	0	47	0.0	-69.37	385.91	9.85	-59.52
O=C([O-])CN1CCCC([NH2+]CC2=CC=C3SC=CC3=C2)C1=O	REAL300012067904	0	40	0.0	-66.89	334.25	8.40	-58.49
O=C([O-])CN1CCCC([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C1=O	REAL300012067905	0	46	0.0	-67.95	366.74	8.69	-59.26
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1	REAL300012067906	0	59	0.0	-66.04	456.21	11.94	-54.10
CC(C)(C)C1=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=NO1	REAL300012067907	1	45	0.0	-64.35	340.36	7.08	-57.27
CC1=CC=CC(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)=C1C(F)(F)F	REAL300012067908	0	43	0.0	-60.19	338.51	8.43	-51.76
O=C([O-])CN1CCCC([NH2+]CC2=CC3=NNC=C3C=C2)C1=O	REAL300012067909	0	40	0.0	-68.33	323.57	5.75	-62.58
CCC(C)C1=CC=C(C[NH2+]C2CCCN(CC(=O)[O-])C2=O)C=C1	REAL300012067910	0	49	0.0	-61.71	376.00	9.62	-52.09
O=C([O-])CN1CCCC([NH2+]CC2=CC3=NC=C(Br)C=C3O2)C1=O	REAL300012067911	0	39	0.0	-70.27	341.27	6.34	-63.93
O=C([O-])CN1CCCC([NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)C1=O	REAL300012067912	0	42	0.0	-67.90	362.98	7.38	-60.52
O=C([O-])CN1CCCC([NH2+]CC2=CC3=C(CCOC3)N=C2Cl)C1=O	REAL300012067913	1	44	0.0	-66.87	358.25	5.70	-61.17
O=C([O-])CN1CCCC([NH2+]CC2=CC3=CC(Br)=CC=C3S2)C1=O	REAL300012067914	0	40	0.0	-65.21	355.98	9.19	-56.02
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C1CCCN(CC(=O)[O-])C1=O	REAL300012067915	1	50	0.0	-66.15	396.07	9.55	-56.60
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COC1=CC(F)=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1OC	REAL300012068458	0	44	0.0	-51.76	349.42	7.59	-44.17
O=C([O-])C1(CC[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3F)=C2)CCC1	REAL300012068459	0	50	0.0	-50.63	404.51	11.82	-38.81
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068460	0	49	0.0	-56.45	386.12	10.82	-45.63
CCCOC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(C)=C1	REAL300012068461	0	49	0.0	-51.72	373.83	10.00	-41.72
O=C([O-])C1(CC[NH2+]CC2=CC3=CC(Br)=CC=C3O2)CCC1	REAL300012068462	0	39	0.0	-54.78	334.53	9.51	-45.27
CCC1=C2OC(C[NH2+]CCC3(C(=O)[O-])CCC3)=CC2=CC=C1	REAL300012068463	0	45	0.0	-53.26	356.14	10.32	-42.94
O=C([O-])C1(CC[NH2+]CC2=CC=CC(OC3CC3)=C2F)CCC1	REAL300012068464	0	44	0.0	-52.70	349.04	9.32	-43.38
O=C([O-])C1(CC[NH2+]CC2=CC=CC(F)=C2OC(F)F)CCC1	REAL300012068465	0	40	0.0	-49.03	327.33	8.10	-40.93
O=C([O-])C1(CC[NH2+]CC2=CC(F)=CC=C2OC(F)F)CCC1	REAL300012068466	0	40	0.0	-53.20	330.47	8.07	-45.13
O=C([O-])C1(CC[NH2+]CC2=CC=CC(C3CCCC3)=C2)CCC1	REAL300012068467	0	49	0.0	-47.17	367.34	11.51	-35.66
CN1C=C(C2=NN(C)C=C2C[NH2+]CCC2(C(=O)[O-])CCC2)C=N1	REAL300012068468	0	46	0.0	-49.00	366.53	7.32	-41.68
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+]CCC3(C(=O)[O-])CCC3)C=C2C1	REAL300012068469	0	60	0.0	-53.50	449.02	11.48	-42.02
O=C([O-])C1(CC[NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)CCC1	REAL300012068470	0	42	0.0	-53.14	367.93	9.89	-43.25
O=C([O-])C1(CC[NH2+]CC2=CSC(C(F)(F)F)=C2)CCC1	REAL300012068471	0	36	0.0	-55.88	315.97	8.52	-47.36
O=C([O-])C1(CC[NH2+]CC2=C(C(F)(F)F)SC=C2)CCC1	REAL300012068472	0	36	0.0	-46.16	307.58	8.48	-37.68
CN(C)C1=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=CC(F)=C1F	REAL300012068473	0	44	0.0	-56.89	345.82	8.42	-48.47
O=C([O-])C1(CC[NH2+]CC2=CNN=C2C2=CC=C(Br)S2)CCC1	REAL300012068474	0	40	0.0	-51.71	348.48	8.16	-43.55
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CC(C)OC1=CC(Cl)=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1Cl	REAL300012068476	0	46	0.0	-49.36	383.34	10.23	-39.13
O=C([O-])C1(CC[NH2+]CC2=CC=C(OC3CCOC3)C=C2)CCC1	REAL300012068477	0	48	0.0	-57.47	371.20	8.01	-49.46
CN(C)C1=CC(F)=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1F	REAL300012068478	0	44	0.0	-50.69	349.56	7.87	-42.82
COC(=O)C1=C2CCCCN2C(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1	REAL300012068479	0	50	0.0	-59.89	387.86	10.09	-49.80
COC1=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=CC(C(F)(F)F)=C1	REAL300012068480	0	43	0.0	-57.29	353.58	8.67	-48.62
C=CCOC1=C(Cl)C=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1OC	REAL300012068481	0	48	0.0	-58.59	398.82	9.74	-48.85
COC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1OC1CC1	REAL300012068482	0	48	0.0	-60.31	374.73	9.20	-51.11
O=C([O-])C1(CC[NH2+]CC2=CC(Cl)=CC=C2I)CCC1	REAL300012068483	0	36	0.0	-49.21	324.53	9.86	-39.35
CN1N=C(C(F)(F)F)C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068484	0	39	0.0	-56.89	325.10	6.86	-50.03
COCC(C)OC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1	REAL300012068485	0	50	0.0	-51.08	384.70	8.51	-42.57
CN1C=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300012068486	0	53	0.0	-60.67	428.56	9.30	-51.37
O=C([O-])C1(CC[NH2+]CC2=CC=CC=C2OCC2=CC=C(F)C=C2F)CCC1	REAL300012068487	0	50	0.0	-47.58	403.15	11.90	-35.68
O=C([O-])C1(CC[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)CCC1	REAL300012068488	0	43	0.0	-50.66	350.48	10.93	-39.73
O=C([O-])C1(CC[NH2+]CC2=CC=NN2CCC2=CC=CC=C2)CCC1	REAL300012068489	0	49	0.0	-55.65	385.29	10.66	-44.99
O=C([O-])C1(CC[NH2+]CC2=CC(C(F)(F)F)=C(Br)C=C2F)CCC1	REAL300012068490	0	39	0.0	-50.11	343.10	9.85	-40.26
O=C([O-])C1(CC[NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)CCC1	REAL300012068491	0	43	0.0	-53.89	361.14	9.26	-44.63
COC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1C(C)(C)C	REAL300012068492	0	52	0.0	-48.87	383.78	10.29	-38.58
O=C([O-])C1(CC[NH2+]CC2=CC=CC(CC3CCC3)=C2)CCC1	REAL300012068493	0	49	0.0	-51.83	376.41	11.88	-39.95
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068494	0	44	0.0	-45.25	355.93	7.52	-37.73
CC1=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=NC=C1Br	REAL300012068495	0	38	0.0	-46.54	317.92	7.67	-38.87
CC1=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C(Br)C=C1F	REAL300012068496	0	39	0.0	-47.84	328.33	9.63	-38.21
O=C([O-])C1(CC[NH2+]CC2=C(O)C=CC=C2Br)CCC1	REAL300012068497	0	37	0.0	-48.43	310.88	6.00	-42.43
CN1C=C(C2=NC(C[NH2+]CCC3(C(=O)[O-])CCC3)=CS2)C=N1	REAL300012068498	0	42	0.0	-53.36	354.87	6.96	-46.40
O=C([O-])C1(CC[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)CCC1	REAL300012068499	0	42	0.0	-55.76	344.68	8.27	-47.49
O=C([O-])C1(CC[NH2+]CC2=CC=CC=C2CC(F)(F)F)CCC1	REAL300012068500	0	42	0.0	-53.59	335.30	9.92	-43.67
CN1C=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(Br)=N1	REAL300012068501	0	36	0.0	-47.19	306.57	6.59	-40.60
O=C([O-])C1(CC[NH2+]CC2=NC=C(Br)C=C2F)CCC1	REAL300012068502	0	35	0.0	-50.75	307.01	7.17	-43.58
COC1=CC(Cl)=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1OC	REAL300012068503	0	44	0.0	-50.07	356.74	8.03	-42.04
O=C([O-])C1(CC[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)CCC1	REAL300012068504	0	42	0.0	-50.63	344.10	10.09	-40.54
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1	REAL300012068505	0	56	0.0	-53.42	431.01	8.76	-44.66
CCOC(=O)C1=C(C)C(C[NH2+]CCC2(C(=O)[O-])CCC2)=C(C)N1	REAL300012068506	0	49	0.0	-59.52	385.69	8.77	-50.75
O=C([O-])C1(CC[NH2+]CC2=C(F)C=CC(C(F)(F)F)=C2Br)CCC1	REAL300012068507	0	39	0.0	-47.67	340.70	9.70	-37.97
O=C([O-])C1(CC[NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)CCC1	REAL300012068508	0	46	0.0	-55.57	378.37	12.34	-43.23
O=C([O-])C1(CC[NH2+]CC2=CC=C(Br)C(F)=C2F)CCC1	REAL300012068509	0	36	0.0	-49.58	314.47	9.03	-40.55
O=C([O-])C1(CC[NH2+]CC2=C(Br)SC=C2)CCC1	REAL300012068510	0	33	0.0	-46.11	294.18	8.00	-38.11
CCOC1=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C(F)C=C1OC	REAL300012068511	0	47	0.0	-51.62	371.28	8.51	-43.11
COC1=NC=C(Br)C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068512	0	39	0.0	-52.10	333.24	5.74	-46.36
O=C([O-])C1(CC[NH2+]CC2=CC=C(F)C3=CC=CC=C23)CCC1	REAL300012068513	0	42	0.0	-54.64	332.70	10.52	-44.12
O=C([O-])C1(CC[NH2+]CC2=CC=CN=C2Br)CCC1	REAL300012068514	0	35	0.0	-48.71	296.70	7.04	-41.67
O=C([O-])C1(CC[NH2+]CC2=CNN=C2CN2C(=O)C3=CC=CC=C3C2=O)CCC1	REAL300012068515	0	50	0.0	-60.68	405.60	7.99	-52.69
COC1=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C(F)C=C1Br	REAL300012068516	0	40	0.0	-47.97	337.51	8.32	-39.65
O=C([O-])C1(CC[NH2+]CC2=CC=CC(Br)=C2Cl)CCC1	REAL300012068517	0	36	0.0	-48.05	317.45	9.39	-38.66
O=C([O-])C1(CC[NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)CCC1	REAL300012068518	0	40	0.0	-57.32	337.14	8.29	-49.03
CC(C)OC1=CC=C(F)C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068519	0	46	0.0	-50.40	360.50	9.33	-41.07
O=C([O-])C1(CC[NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)CCC1	REAL300012068520	0	50	0.0	-67.66	380.94	9.35	-58.31
O=C([O-])C1(CC[NH2+]CC2=CC=C(OC(F)F)C=C2F)CCC1	REAL300012068521	0	40	0.0	-54.52	330.98	7.95	-46.57
CC(C)(C)OC1=CC=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1	REAL300012068522	0	49	0.0	-54.83	366.98	9.53	-45.30
CC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(C)=C1Br	REAL300012068523	0	42	0.0	-52.24	337.26	10.06	-42.18
CC1=CC=NC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1Br	REAL300012068524	0	38	0.0	-43.96	314.75	7.56	-36.40
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1	REAL300012068525	0	53	0.0	-59.34	407.97	8.62	-50.72
CN1C=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(C2=CC(F)=CC=C2F)=N1	REAL300012068526	0	46	0.0	-56.40	378.41	9.67	-46.73
O=C([O-])C1(CC[NH2+]CC2=CC(F)=CC=C2OC2=CN=CC(Cl)=C2)CCC1	REAL300012068529	0	46	0.0	-50.78	389.41	10.02	-40.76
CN1N=C2CCSCC2=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068530	0	44	0.0	-57.30	349.76	8.04	-49.26
CCN1C=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(C2=CC=CC=C2)=N1	REAL300012068531	0	49	0.0	-53.87	387.13	10.40	-43.47
COCC1=C(C)C=C(C)C(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1C	REAL300012068532	0	52	0.0	-45.93	385.48	9.49	-36.44
CC1=CC(OC2=CC=C(C[NH2+]CCC3(C(=O)[O-])CCC3)C(Cl)=C2)=CC=C1F	REAL300012068533	0	50	0.0	-53.12	415.97	12.40	-40.72
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(Cl)=C1	REAL300012068534	0	53	0.0	-52.74	429.23	13.08	-39.66
O=C([O-])C1(CC[NH2+]CC2=CC=CC=C2OC2=CC=C(F)C(Cl)=C2)CCC1	REAL300012068535	0	47	0.0	-52.81	395.11	11.72	-41.09
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068536	0	50	0.0	-53.23	416.73	12.49	-40.74
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+]CCC2(C(=O)[O-])CCC2)=CC=C1F	REAL300012068537	0	50	0.0	-55.22	416.08	12.37	-42.85
O=C([O-])C1(CC[NH2+]CC2=CC(F)=CC=C2OC2=CC=C(Cl)C(F)=C2)CCC1	REAL300012068538	0	47	0.0	-55.74	404.23	11.93	-43.81
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068539	0	50	0.0	-50.32	409.59	12.41	-37.91
O=C([O-])C1(CC[NH2+]CC2=CC(F)=CC=C2OC2=CC=CC(Cl)=C2)CCC1	REAL300012068540	0	47	0.0	-50.54	393.58	11.77	-38.77
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068541	0	53	0.0	-50.14	430.01	13.19	-36.95
CC1=C(Br)C=C(C[NH2+]CCC2(C(=O)[O-])CCC2)S1	REAL300012068542	0	36	0.0	-51.21	318.75	8.85	-42.36
O=C([O-])C1(CC[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)CCC1	REAL300012068543	0	46	0.0	-50.97	374.05	12.23	-38.74
O=C([O-])C1(CC[NH2+]CC2=CC=CC(F)=C2I)CCC1	REAL300012068544	0	36	0.0	-46.69	312.46	9.43	-37.26
CCCOC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1C	REAL300012068545	0	49	0.0	-54.53	378.28	10.15	-44.38
COC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1COC1=CC=CC=C1	REAL300012068546	0	54	0.0	-56.87	423.30	11.10	-45.77
COC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1CN1C=CC=N1	REAL300012068547	0	50	0.0	-58.09	397.45	9.37	-48.72
CC1=CC=C(Br)C(F)=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068548	0	39	0.0	-49.20	327.42	9.56	-39.64
O=C([O-])C1(CC[NH2+]CC2=CC=CC=C2OC2=CC=C(Cl)C(Cl)=C2)CCC1	REAL300012068549	0	47	0.0	-52.16	404.38	12.12	-40.04
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+]CCC2(C(=O)[O-])CCC2)C(C)=C1	REAL300012068550	0	53	0.0	-54.16	431.82	13.09	-41.07
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068551	0	44	0.0	-53.82	342.37	9.96	-43.86
COC1=CC=C(CN2C=C(C[NH2+]CCC3(C(=O)[O-])CCC3)N=N2)C=C1	REAL300012068552	0	49	0.0	-57.41	393.83	8.00	-49.41
COC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(F)=C1OC	REAL300012068553	0	44	0.0	-58.40	354.21	7.69	-50.71
COC(=O)C1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(F)=C1	REAL300012068554	0	42	0.0	-60.05	346.50	9.04	-51.01
O=C([O-])C1(CC[NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)CCC1	REAL300012068555	0	46	0.0	-52.59	369.76	8.69	-43.90
O=C([O-])C1(CC[NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)CCC1	REAL300012068556	0	50	0.0	-51.58	394.38	11.58	-40.00
O=C([O-])C1(CC[NH2+]CC2=CC=CC=C2OCC(F)F)CCC1	REAL300012068557	0	43	0.0	-51.08	346.13	8.93	-42.15
O=C([O-])C1(CC[NH2+]CC2=CC(Br)=C(Br)S2)CCC1	REAL300012068558	0	33	0.0	-53.72	318.25	8.76	-44.96
O=C([O-])C1(CC[NH2+]CC2=CC(F)=CC=C2OC2=CC=C(F)C(Cl)=C2)CCC1	REAL300012068559	0	47	0.0	-55.66	404.22	11.94	-43.72
O=C([O-])C1(CC[NH2+]CC2=CC(F)=CC=C2OC2=CC(F)=CC(F)=C2)CCC1	REAL300012068560	0	47	0.0	-53.83	394.46	11.50	-42.33
O=C([O-])C1(CC[NH2+]CC2=CC(Cl)=CC=C2OC2=CC=C(Cl)C=C2)CCC1	REAL300012068561	0	47	0.0	-48.60	402.93	12.13	-36.47
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068562	0	54	0.0	-51.06	425.84	11.84	-39.22
O=C([O-])C1(CC[NH2+]CC2=CC(F)=CC=C2OC2=CC=C(Cl)C=C2)CCC1	REAL300012068563	0	47	0.0	-49.29	392.55	11.69	-37.60
O=C([O-])C1(CC[NH2+]CC2=CC=CC=C2OC2=CC(Cl)=CC(Cl)=C2)CCC1	REAL300012068564	0	47	0.0	-52.18	405.96	12.18	-40.00
O=C([O-])C1(CC[NH2+]CC2=CC(F)=CC=C2OC2=CC=C(F)C=C2Cl)CCC1	REAL300012068565	0	47	0.0	-50.83	403.90	11.98	-38.85
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1	REAL300012068566	0	51	0.0	-50.43	416.04	12.18	-38.25
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068567	0	52	0.0	-57.33	400.58	11.36	-45.97
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CN1C=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(C2CCCC2)=N1	REAL300012068618	0	49	0.0	-54.43	374.49	9.26	-45.17
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COC(=O)C1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1C	REAL300012068627	0	45	0.0	-60.50	356.31	9.57	-50.93
CC1=C(Cl)C=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1Cl	REAL300012068628	0	39	0.0	-49.22	328.60	9.77	-39.45
CC1=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C(C)C=C1I	REAL300012068629	0	42	0.0	-48.38	343.29	10.55	-37.83
N#CC1=CC=C(Br)C(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1	REAL300012068630	0	37	0.0	-52.61	322.38	9.33	-43.28
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068631	0	49	0.0	-56.28	388.40	9.90	-46.38
COC(=O)COC1=CC=CC=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068632	0	46	0.0	-56.67	370.61	9.31	-47.36
CN(C)C(=O)C1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1	REAL300012068633	0	46	0.0	-64.80	356.46	8.22	-56.58
CCNC(=O)C1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1	REAL300012068634	0	46	0.0	-64.00	363.31	7.50	-56.50
COC1=CC=C2SC(C[NH2+]CCC3(C(=O)[O-])CCC3)=CC2=C1	REAL300012068635	0	43	0.0	-52.99	353.10	9.18	-43.81
CCN(CC)C(=O)C1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1	REAL300012068636	0	52	0.0	-58.01	395.38	10.08	-47.93
CCN1CCC2=CC(C[NH2+]CCC3(C(=O)[O-])CCC3)=CC=C21	REAL300012068637	0	48	0.0	-53.92	364.66	9.00	-44.92
CCN(C)C(=O)C1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1	REAL300012068638	0	49	0.0	-64.70	378.27	9.23	-55.47
CSC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1Cl	REAL300012068639	0	40	0.0	-58.73	340.58	9.84	-48.89
CC1=NN(C2=CC=C(C[NH2+]CCC3(C(=O)[O-])CCC3)C(C)=C2)C=C1	REAL300012068640	0	49	0.0	-58.34	381.28	10.75	-47.59
O=C([O-])C1(CC[NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)CCC1	REAL300012068641	0	42	0.0	-52.41	354.31	10.18	-42.23
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068642	0	46	0.0	-53.76	373.47	10.62	-43.14
CCC1=CC(Br)=C(C[NH2+]CCC2(C(=O)[O-])CCC2)S1	REAL300012068643	0	39	0.0	-48.77	339.21	9.57	-39.20
CC1=NN(C2=CC=C(C[NH2+]CCC3(C(=O)[O-])CCC3)C=C2)C=C1Cl	REAL300012068644	0	46	0.0	-55.73	380.02	10.59	-45.14
COC(=O)C1=CC2=C(C=C(C[NH2+]CCC3(C(=O)[O-])CCC3)O2)N1	REAL300012068645	0	43	0.0	-53.83	351.70	7.10	-46.73
CC(C)(C[NH2+]CCC1(C(=O)[O-])CCC1)C1=CC=C(Br)C=C1	REAL300012068646	0	45	0.0	-55.27	354.72	10.71	-44.56
O=C([O-])C1(CC[NH2+]CC2=CC(Cl)=CC(Br)=C2)CCC1	REAL300012068647	0	36	0.0	-55.89	323.38	9.49	-46.40
CC1=CC=C(C2=CC=CC=C2C[NH2+]CCC2(C(=O)[O-])CCC2)C(C)=C1	REAL300012068648	0	52	0.0	-49.82	396.67	12.85	-36.97
COC1=CC=CC(C2=CSC(C[NH2+]CCC3(C(=O)[O-])CCC3)=N2)=C1	REAL300012068649	0	46	0.0	-57.48	377.93	8.44	-49.04
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1	REAL300012068650	0	56	0.0	-52.97	431.01	8.76	-44.21
COC(=O)C1=C2COCCN2C(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1	REAL300012068651	0	48	0.0	-61.55	379.59	7.71	-53.84
O=C([O-])C1(CC[NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)CCC1	REAL300012068652	0	53	0.0	-55.97	398.65	10.25	-45.72
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068653	0	46	0.0	-57.69	356.93	11.34	-46.35
O=C([O-])C1(CC[NH2+]CC2=CC=C(C(F)(F)F)C(Cl)=C2Cl)CCC1	REAL300012068654	0	39	0.0	-52.73	348.39	10.19	-42.54
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CC(C)(C)OC(=O)N1CCC(C[NH2+]CCC2(C(=O)[O-])CCC2)CC1	REAL300012068661	0	56	0.0	-60.69	409.07	9.40	-51.29
CC1=CC(Br)=CN=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068662	0	38	0.0	-49.60	317.91	7.72	-41.88
O=C([O-])C1(CC[NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)CCC1	REAL300012068663	0	42	0.0	-62.26	359.24	6.29	-55.97
CC1OC2=CC=C(C[NH2+]CCC3(C(=O)[O-])CCC3)C=C2C1C	REAL300012068664	0	47	0.0	-55.30	358.75	9.48	-45.82
CC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1OC(F)F	REAL300012068665	0	43	0.0	-52.12	344.68	8.70	-43.42
CC1=NC(Cl)=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1Br	REAL300012068666	0	38	0.0	-49.21	332.86	8.11	-41.10
CN1N=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1S(C)(=O)=O	REAL300012068667	0	42	0.0	-62.65	338.59	3.70	-58.95
CCOC1=CC(Br)=CC(F)=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068668	0	43	0.0	-44.11	359.73	9.24	-34.87
CC1=C(C[NH2+]CCC2(C(=O)[O-])CCC2)NN=C1C(F)(F)F	REAL300012068669	0	39	0.0	-58.60	323.89	6.30	-52.30
CS(=O)(=O)C1=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=CS1	REAL300012068670	0	39	0.0	-56.75	325.79	5.27	-51.48
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]CCC3(C(=O)[O-])CCC3)C=C2)O1	REAL300012068671	0	53	0.0	-55.80	432.00	10.51	-45.29
CC1=C(Br)C(C[NH2+]CCC2(C(=O)[O-])CCC2)=C(C)S1	REAL300012068672	0	39	0.0	-46.20	334.20	9.34	-36.86
CN1C=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(C2=CC=CC(F)=C2)=N1	REAL300012068673	0	46	0.0	-52.26	368.50	9.54	-42.72
O=C([O-])C1(CC[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)CCC1	REAL300012068674	0	40	0.0	-54.44	337.72	8.17	-46.27
O=C([O-])C1(CC[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)CCC1	REAL300012068675	0	42	0.0	-58.13	356.56	10.25	-47.88
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CCOC1=CC=C(Cl)C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068691	0	43	0.0	-49.75	352.89	9.16	-40.59
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CC(C)(OCC1=CC=CC=C1)C1=CC=C(F)C(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1	REAL300012068702	0	59	0.0	-49.04	456.40	13.18	-35.86
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CN1C(=O)C(C[NH2+]CCC2(C(=O)[O-])CCC2)=CC2=CC=CC=C21	REAL300012068704	0	45	0.0	-47.12	349.59	9.08	-38.04
CC1=CC(C)=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(C)=C1Br	REAL300012068705	0	45	0.0	-47.99	352.57	10.46	-37.53
O=C([O-])C1(CC[NH2+]CC=CC2=CC=C3OCOC3=C2)CCC1	REAL300012068706	0	43	0.0	-56.72	340.22	8.26	-48.46
O=C([O-])C1(CC[NH2+]CC2=CC=C(CC3CCC3)C=C2)CCC1	REAL300012068707	0	49	0.0	-52.00	376.47	11.89	-40.11
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1	REAL300012068708	0	46	0.0	-53.60	379.30	9.08	-44.52
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CC1=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(C(F)(F)F)=CO1	REAL300012068711	0	39	0.0	-48.18	324.70	8.16	-40.02
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CN1C=C(C2=NNC=C2C[NH2+]CCC2(C(=O)[O-])CCC2)C=N1	REAL300012068713	0	43	0.0	-52.78	346.67	6.05	-46.73
CCCN1N=C(C)C(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1Cl	REAL300012068714	0	45	0.0	-53.32	366.81	8.64	-44.68
CC(C)(C#N)C1=NC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)S1	REAL300012068715	0	42	0.0	-53.86	352.84	7.69	-46.17
COC1=CC=C(Br)C(F)=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068716	0	40	0.0	-48.65	339.41	8.37	-40.28
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COC1=CC=CC(OC2=CC=C(C[NH2+]CCC3(C(=O)[O-])CCC3)C=C2)=C1	REAL300012068726	0	51	0.0	-62.08	403.15	10.48	-51.60
CCN1CCCC2=CC(C[NH2+]CCC3(C(=O)[O-])CCC3)=CC=C21	REAL300012068727	0	51	0.0	-52.79	374.58	9.51	-43.28
COCC1=CN=C(OC)C(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1	REAL300012068728	0	46	0.0	-49.96	366.09	4.88	-45.08
CN1N=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1Br	REAL300012068729	0	36	0.0	-48.25	305.87	6.52	-41.73
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1	REAL300012068730	0	51	0.0	-52.69	402.41	11.09	-41.60
COC1=C(Br)C=CC(F)=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068731	0	40	0.0	-50.03	339.98	8.40	-41.63
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CC1=C(C[NH2+]CCC2(C(=O)[O-])CCC2)SC2=CC(F)=CC=C12	REAL300012068738	0	42	0.0	-51.60	346.71	10.48	-41.12
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COC1=CC=C(F)C(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1OC	REAL300012068740	0	44	0.0	-50.01	350.35	7.67	-42.34
COC1=CC(OC)=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C2=NC(Cl)=CC=C12	REAL300012068741	0	49	0.0	-51.70	398.47	8.07	-43.63
CN1C=CC(C2=NNC=C2C[NH2+]CCC2(C(=O)[O-])CCC2)=N1	REAL300012068742	0	43	0.0	-50.65	343.42	6.37	-44.28
CC1=CC=C(F)C(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1Br	REAL300012068743	0	39	0.0	-47.45	326.95	9.46	-37.99
O=C([O-])C1(CC[NH2+]CC2=CC=CC=C2OCCC2CCCCC2)CCC1	REAL300012068744	0	59	0.0	-49.19	438.30	12.65	-36.54
O=C([O-])C1(CC[NH2+]CC2=CC=CC(OCC3CCC3)=C2)CCC1	REAL300012068745	0	50	0.0	-49.47	382.71	10.66	-38.81
COC1=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=CC=C1OCCO	REAL300012068746	0	48	0.0	-61.39	377.33	5.41	-55.98
COC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1OCCO	REAL300012068747	0	48	0.0	-60.66	377.33	5.41	-55.25
CN1C=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(C2=CC=NN2C)=N1	REAL300012068748	0	46	0.0	-55.92	367.70	7.25	-48.67
COC1=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=CC=C1OCC1CCCO1	REAL300012068749	0	55	0.0	-59.96	423.03	9.00	-50.96
O=C([O-])C1(CC[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)CCC1	REAL300012068750	0	39	0.0	-60.21	320.02	9.45	-50.76
O=C([O-])C1(CC[NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)CCC1	REAL300012068751	0	43	0.0	-51.59	360.25	9.15	-42.44
O=C([O-])C1(CC[NH2+]CC2=CC=C(C3=CN=C(C(F)F)S3)C=C2)CCC1	REAL300012068752	0	45	0.0	-54.01	380.44	10.05	-43.96
O=C([O-])C1(CC[NH2+]CC2=C(Br)C=CC3=C2OCO3)CCC1	REAL300012068753	0	39	0.0	-48.35	330.28	7.49	-40.86
CS(=O)(=O)C1=C(C[NH2+]CCC2(C(=O)[O-])CCC2)SC=C1	REAL300012068754	0	39	0.0	-56.09	327.83	5.00	-51.09
CS(=O)(=O)C1=COC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1	REAL300012068755	0	39	0.0	-63.56	329.18	3.97	-59.59
O=C([O-])C1(CC[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)CCC1	REAL300012068756	0	39	0.0	-56.49	330.47	9.38	-47.11
CC(C)OC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1F	REAL300012068757	0	46	0.0	-62.27	361.04	9.30	-52.97
O=C([O-])C1(CC[NH2+]CC2=CC=C(F)C(Cl)=C2F)CCC1	REAL300012068758	0	36	0.0	-49.53	309.62	8.91	-40.62
O=C([O-])C1(CC[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)CCC1	REAL300012068759	0	42	0.0	-53.45	336.70	10.61	-42.84
CS(=O)(=O)C1=CSC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1	REAL300012068760	0	39	0.0	-58.78	338.40	4.95	-53.83
O=C([O-])C1(CC[NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)CCC1	REAL300012068761	0	43	0.0	-56.96	360.92	10.11	-46.85
CC1=NN(C2CCCC2)C(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1	REAL300012068762	0	49	0.0	-51.77	371.21	9.39	-42.38
O=C([O-])C1(CC[NH2+]CC2=C(Br)C=C(C(F)(F)F)S2)CCC1	REAL300012068763	0	36	0.0	-52.35	336.49	9.19	-43.16
O=C([O-])C1(CC[NH2+]CC2=CC=C(Br)C=C2OC2CC2)CCC1	REAL300012068764	0	44	0.0	-51.79	366.58	10.02	-41.77
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068765	0	46	0.0	-51.20	363.88	8.98	-42.22
O=C([O-])C1(CC[NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)CCC1	REAL300012068766	0	39	0.0	-59.25	327.66	9.82	-49.43
O=C([O-])C1(CC[NH2+]CC2=C(F)C=CC(Br)=C2Cl)CCC1	REAL300012068767	0	36	0.0	-48.72	324.10	9.36	-39.36
O=C([O-])C1(CC[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)CCC1	REAL300012068768	0	43	0.0	-57.51	350.60	9.65	-47.86
COC1=NC(C)=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(C)=C1Cl	REAL300012068769	0	45	0.0	-57.63	359.78	6.61	-51.02
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068770	0	45	0.0	-58.62	360.27	8.70	-49.92
CC1=NN(C2CCCCC2)C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068771	0	52	0.0	-50.23	387.42	9.95	-40.28
O=C([O-])C1(CC[NH2+]CC2=CN(C3CCOCC3)N=C2)CCC1	REAL300012068772	0	47	0.0	-56.90	360.80	7.03	-49.87
CC1=NN(C2CCOCC2)C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068773	0	50	0.0	-54.47	381.24	7.59	-46.88
O=C([O-])C1(CC[NH2+]CC2=CC(Br)=CC3=CC=CN=C32)CCC1	REAL300012068774	0	41	0.0	-50.09	347.22	9.49	-40.60
NS(=O)(=O)C1=CSC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1	REAL300012068775	0	38	0.0	-59.56	331.92	2.36	-57.20
O=C([O-])C1(CC[NH2+]CC2=NC=C(Cl)C=C2Cl)CCC1	REAL300012068776	0	35	0.0	-49.52	311.21	7.45	-42.07
O=C([O-])C1(CC[NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)CCC1	REAL300012068777	0	51	0.0	-59.33	387.83	7.75	-51.58
CC1=NN(C2CCCC2)C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068778	0	49	0.0	-50.13	368.45	9.35	-40.78
CC1=CC(Br)=C(F)C(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1	REAL300012068779	0	39	0.0	-49.28	332.69	9.67	-39.61
O=C([O-])C1(CC[NH2+]CC2=CC=C(Br)C(Cl)=C2F)CCC1	REAL300012068780	0	36	0.0	-48.70	323.16	9.43	-39.27
COC1=CC=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1Br	REAL300012068781	0	40	0.0	-52.55	331.02	8.25	-44.30
O=C([O-])C1(CC[NH2+]CC2=CC=C(Cl)C(F)=C2F)CCC1	REAL300012068782	0	36	0.0	-49.61	310.06	8.93	-40.68
CN1C=C(C2=CC=CC(C[NH2+]CCC3(C(=O)[O-])CCC3)=C2)C=N1	REAL300012068783	0	46	0.0	-58.13	365.48	9.66	-48.47
COC1=CC(F)=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1Br	REAL300012068784	0	40	0.0	-51.32	340.61	8.36	-42.96
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CC1=CC=C(Br)C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068786	0	39	0.0	-50.55	322.30	9.59	-40.96
COC1=NC2=CC=C(C[NH2+]CCC3(C(=O)[O-])CCC3)C=C2S1	REAL300012068787	0	42	0.0	-59.21	349.77	6.19	-53.02
O=C([O-])C1(CC[NH2+]CC2=CC=NC(Br)=C2)CCC1	REAL300012068788	0	35	0.0	-58.21	301.70	7.10	-51.11
O=C([O-])C1(CC[NH2+]CC2=CC(F)=CC(Cl)=C2Cl)CCC1	REAL300012068789	0	36	0.0	-53.46	320.46	9.32	-44.14
CC(C)(C)COC1=CC=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1	REAL300012068790	0	52	0.0	-53.97	397.15	10.71	-43.26
O=C([O-])C1(CC[NH2+]CC2=CC(Br)=CC(Cl)=C2F)CCC1	REAL300012068791	0	36	0.0	-54.31	329.22	9.49	-44.82
O=C([O-])C1(CC[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)CCC1	REAL300012068792	0	39	0.0	-56.98	334.69	9.65	-47.33
CN1N=CC=C1C1=NNC=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068793	0	43	0.0	-59.83	347.76	5.98	-53.85
COC(=O)C1=C(C)NC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1C	REAL300012068794	0	46	0.0	-55.32	366.79	7.99	-47.33
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+]CCC3(C(=O)[O-])CCC3)=CC=C2C1	REAL300012068795	0	60	0.0	-53.45	449.01	11.49	-41.96
CC1=CC(Br)=CC(C)=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068796	0	42	0.0	-48.15	338.42	9.94	-38.21
O=C([O-])C1(CC[NH2+]CC2=C(O)C=CC(F)=C2Br)CCC1	REAL300012068797	0	37	0.0	-56.85	318.82	6.11	-50.74
O=C([O-])C1(CC[NH2+]CC2=C(Cl)C=CC3=C2OCO3)CCC1	REAL300012068798	0	39	0.0	-49.01	326.25	7.42	-41.59
O=C([O-])C1(CC[NH2+]CC2=CC=C(C3CCCCC3)C=C2)CCC1	REAL300012068799	0	52	0.0	-52.06	387.20	12.18	-39.88
CC1=C(C[NH2+]CCC2(C(=O)[O-])CCC2)SC(Br)=C1	REAL300012068800	0	36	0.0	-46.62	313.40	8.69	-37.93
CC1=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=NN1CC(F)F	REAL300012068801	0	42	0.0	-56.43	340.71	7.76	-48.67
O=C([O-])C1(CC[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)CCC1	REAL300012068802	0	44	0.0	-59.61	354.54	8.72	-50.89
CCCN1N=C(C)C(Cl)=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068803	0	45	0.0	-50.61	368.56	8.62	-41.99
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068804	0	48	0.0	-48.71	381.26	10.39	-38.32
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068805	0	43	0.0	-59.70	349.47	7.60	-52.10
O=C([O-])C1(CC[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)CCC1	REAL300012068806	0	49	0.0	-49.13	385.91	12.77	-36.36
O=C([O-])C1(CC[NH2+]CC2=CC(Cl)=CC(Cl)=C2Br)CCC1	REAL300012068807	0	36	0.0	-52.25	334.02	9.85	-42.40
CCCCC(=O)NC1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=C1	REAL300012068808	0	52	0.0	-60.98	405.54	9.63	-51.35
O=C([O-])C1(CC[NH2+]CC2=CSC(Br)=C2Br)CCC1	REAL300012068809	0	33	0.0	-52.88	314.92	8.54	-44.34
O=C([O-])C1(CC[NH2+]CC2=CC=CC(Br)=C2Br)CCC1	REAL300012068810	0	36	0.0	-47.39	320.60	9.48	-37.91
CCN(C)C1=CC=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C(C)=C1	REAL300012068811	0	50	0.0	-49.19	374.29	10.32	-38.87
O=C([O-])C1(CC[NH2+]CC2=CC(Cl)=CN=C2Br)CCC1	REAL300012068812	0	35	0.0	-45.43	310.39	7.49	-37.94
O=C([O-])C1(CC[NH2+]CC2=C(Cl)C(Cl)=CS2)CCC1	REAL300012068813	0	33	0.0	-52.54	307.64	8.38	-44.16
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068814	0	57	0.0	-50.38	415.15	10.53	-39.85
COC1=CC(C)=CC(OC)=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068815	0	47	0.0	-47.08	363.07	7.75	-39.33
O=C([O-])C1(CC[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)CCC1	REAL300012068816	0	40	0.0	-59.33	347.38	8.72	-50.61
O=C([O-])C1(CC[NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)CCC1	REAL300012068817	0	46	0.0	-58.13	373.94	11.20	-46.93
O=C([O-])C1(CC[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)CCC1	REAL300012068818	0	45	0.0	-52.91	352.53	9.97	-42.94
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1	REAL300012068819	0	58	0.0	-55.35	444.24	13.28	-42.07
CC1=CC=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1C(F)(F)F	REAL300012068820	0	42	0.0	-55.17	331.01	9.98	-45.19
O=C([O-])C1(CC[NH2+]CC2=CC=C(C(F)(F)F)C=C2Br)CCC1	REAL300012068821	0	39	0.0	-54.68	341.20	9.90	-44.78
O=C([O-])C1(CC[NH2+]CC2=CC3=NC=C(Br)C=C3O2)CCC1	REAL300012068822	0	38	0.0	-57.36	329.31	7.68	-49.68
O=C([O-])C1(CC[NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)CCC1	REAL300012068823	0	41	0.0	-54.77	348.19	8.68	-46.09
O=C([O-])C1(CC[NH2+]CC2=CC3=C(CCOC3)N=C2Cl)CCC1	REAL300012068824	0	43	0.0	-50.96	347.11	7.00	-43.96
O=C([O-])C1(CC[NH2+]CC2=CC3=CC(Br)=CC=C3S2)CCC1	REAL300012068825	0	39	0.0	-52.45	344.82	10.51	-41.94
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068826	0	49	0.0	-51.62	384.83	10.90	-40.72
O=C([O-])C1(CC[NH2+]CC2=CC=C(Br)C=C2Br)CCC1	REAL300012068827	0	36	0.0	-52.59	323.76	9.52	-43.07
O=C([O-])C1(CC[NH2+]CC2=CC(Br)=CC(F)=C2F)CCC1	REAL300012068828	0	36	0.0	-55.25	319.33	9.06	-46.19
O=C([O-])C1(CC[NH2+]CC2=CC(Cl)=C(Br)C=C2F)CCC1	REAL300012068829	0	36	0.0	-51.64	326.85	9.46	-42.18
O=C([O-])C1(CC[NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)CCC1	REAL300012068830	0	38	0.0	-64.70	334.87	9.66	-55.04
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068831	0	43	0.0	-58.51	344.80	10.23	-48.28
COC1=C(C[NH2+]CCC2(C(=O)[O-])CCC2)C=CC(Br)=C1F	REAL300012068832	0	40	0.0	-56.58	342.48	8.41	-48.17
O=C([O-])C1(CC[NH2+]CC2=CC=CC(C(F)(F)F)=C2F)CCC1	REAL300012068833	0	39	0.0	-58.17	329.66	9.37	-48.80
O=C([O-])C1(CC[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)CCC1	REAL300012068834	0	42	0.0	-61.18	335.48	8.22	-52.96
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068835	0	54	0.0	-53.18	411.36	10.00	-43.18
O=C([O-])C1(CC[NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)CCC1	REAL300012068836	0	42	0.0	-55.30	349.90	11.15	-44.15
COC1=C2C=CNC2=CC=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068837	0	44	0.0	-51.76	347.04	7.77	-43.99
O=C([O-])C1(CC[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)CCC1	REAL300012068838	0	49	0.0	-49.92	370.72	5.31	-44.61
O=C([O-])C1(CC[NH2+]CC2=CC=C(CN3C=C(Br)C=N3)C=C2)CCC1	REAL300012068839	0	46	0.0	-52.98	388.59	10.58	-42.40
O=C([O-])C1(CC[NH2+]CC2=C(F)C=C(I)C=C2F)CCC1	REAL300012068840	0	36	0.0	-45.96	321.51	9.45	-36.51
COC1=CC=C(OC)C(OC)=C1C[NH2+]CCC1(C(=O)[O-])CCC1	REAL300012068841	0	48	0.0	-48.61	373.19	6.99	-41.62
O=C([O-])C1(CC[NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)CCC1	REAL300012068842	0	53	0.0	-56.43	398.12	10.28	-46.15
O=C([O-])C1(CC[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)CCC1	REAL300012068843	0	50	0.0	-49.61	399.80	11.87	-37.74
CC1=CC(C[NH2+]CCC2(C(=O)[O-])CCC2)=CN=C1N1C=CC=N1	REAL300012068844	0	45	0.0	-61.26	357.42	9.71	-51.55
COC1=CC=C(Br)C(C[NH2+]CCC2(C(=O)[O-])CCC2)=C1O	REAL300012068845	0	41	0.0	-52.97	342.34	6.04	-46.93
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OCC1=CC=CC=C1	REAL300012068846	0	51	0.0	-37.57	407.84	11.06	-26.51
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012068847	0	51	0.0	-37.84	424.58	11.58	-26.26
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OCC1=CC=C(F)C=C1	REAL300012068848	0	51	0.0	-38.51	414.26	11.13	-27.38
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3CC3C)=C2)C=C1	REAL300012068849	0	51	0.0	-40.20	411.90	9.31	-30.89
CC1CC1C([NH2+]CC1=CC=CC(NC(=O)C2=CC=CC=C2Cl)=C1)C(=O)[O-]	REAL300012068850	0	47	0.0	-42.89	392.50	10.49	-32.40
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OCC(=O)N1CCOCC1	REAL300012068851	0	56	0.0	-50.04	440.04	8.22	-41.82
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OC(F)F	REAL300012068852	0	41	0.0	-35.68	335.84	7.36	-28.32
CC1CC1C([NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1)C(=O)[O-]	REAL300012068853	0	40	0.0	-30.74	348.88	10.40	-20.34
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(Br)=C1OC	REAL300012068854	0	44	0.0	-38.30	375.37	8.87	-29.43
CCOC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC	REAL300012068855	0	44	0.0	-37.95	375.36	8.90	-29.05
C=CCOC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC	REAL300012068856	0	45	0.0	-36.97	385.19	9.36	-27.61
C=CCOC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OCC	REAL300012068857	0	48	0.0	-36.80	407.04	10.28	-26.52
CCCOC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC	REAL300012068858	0	47	0.0	-36.72	393.78	9.59	-27.13
CCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1	REAL300012068859	0	49	0.0	-33.04	378.32	10.38	-22.66
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C(=O)[O-]	REAL300012068860	0	42	0.0	-36.81	358.87	10.57	-26.24
CC1CC1C([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1)C(=O)[O-]	REAL300012068861	0	42	0.0	-35.79	355.77	10.45	-25.34
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1Br	REAL300012068862	0	37	0.0	-37.05	317.25	7.85	-29.20
CCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC	REAL300012068863	0	50	0.0	-35.96	390.93	9.59	-26.37
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC	REAL300012068864	0	47	0.0	-35.89	369.44	8.80	-27.09
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC	REAL300012068865	0	45	0.0	-36.29	360.84	8.59	-27.70
CCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC	REAL300012068866	0	56	0.0	-36.96	437.01	11.26	-25.70
CC1CC1C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1)C(=O)[O-]	REAL300012068867	0	40	0.0	-30.75	344.32	10.29	-20.46
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1)C(=O)[O-]	REAL300012068868	0	40	0.0	-40.46	345.00	10.42	-30.04
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1)C(=O)[O-]	REAL300012068869	0	40	0.0	-31.97	351.96	10.51	-21.46
CC1CC1C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C(=O)[O-]	REAL300012068870	0	40	0.0	-37.23	352.48	11.27	-25.96
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(OC)=C1OCC1=CC=CC=C1	REAL300012068871	0	55	0.0	-38.00	441.01	10.99	-27.01
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1)C(=O)[O-]	REAL300012068872	0	42	0.0	-37.66	354.75	11.18	-26.48
CC1CC1C([NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300012068873	0	39	0.0	-30.11	341.67	8.86	-21.25
CC1CC1C([NH2+]CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012068874	0	37	0.0	-37.57	324.31	9.44	-28.13
CC1CC1C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300012068875	0	37	0.0	-35.17	308.47	7.58	-27.59
CC1CC1C([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1)C(=O)[O-]	REAL300012068876	0	42	0.0	-40.34	358.50	11.24	-29.10
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C(=O)[O-]	REAL300012068877	0	42	0.0	-46.37	364.52	11.47	-34.90
CC1CC1C([NH2+]CC1=CC=C(OCC2CCCO2)C=C1)C(=O)[O-]	REAL300012068878	0	48	0.0	-36.81	376.23	8.58	-28.23
CC1CC1C([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300012068879	0	40	0.0	-37.77	342.16	10.82	-26.95
CC1CC1C([NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)S1)C(=O)[O-]	REAL300012068880	0	40	0.0	-35.13	351.61	11.19	-23.94
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300012068881	0	40	0.0	-29.45	347.37	11.35	-18.10
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OCC1=CC=NC=C1	REAL300012068882	0	50	0.0	-39.78	402.73	9.29	-30.49
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC=C2F)S1)C(=O)[O-]	REAL300012068883	0	40	0.0	-30.28	339.80	11.00	-19.28
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC=C2Br)S1)C(=O)[O-]	REAL300012068884	0	40	0.0	-29.39	350.93	11.41	-17.98
CC1CC1C([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300012068885	0	36	0.0	-29.08	317.92	9.35	-19.73
CC1CC1C([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300012068886	0	36	0.0	-40.74	314.74	9.05	-31.69
CC1CC1C([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012068887	0	36	0.0	-35.34	312.47	8.95	-26.39
CC1CC1C([NH2+]CC1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300012068888	0	36	0.0	-31.72	313.66	9.04	-22.68
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C(Cl)=C1OC	REAL300012068889	0	41	0.0	-36.48	335.32	7.79	-28.69
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)S1)C(=O)[O-]	REAL300012068890	0	40	0.0	-38.54	357.05	11.37	-27.17
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300012068891	0	40	0.0	-38.59	352.49	11.26	-27.33
CC1CC1C([NH2+]CC1=CC=CC(OCC2=CC=CC(C#N)=C2)=C1)C(=O)[O-]	REAL300012068892	0	48	0.0	-36.89	394.58	11.46	-25.43
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OCC(F)(F)F	REAL300012068893	0	44	0.0	-40.60	370.59	8.58	-32.02
CC1CC1C([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300012068894	0	46	0.0	-36.23	368.62	9.31	-26.92
CC1CC1C([NH2+]CC1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300012068895	0	39	0.0	-36.68	335.27	7.82	-28.86
CC1CC1C([NH2+]CC1=CC(Br)=C2OCCCOC2=C1)C(=O)[O-]	REAL300012068896	0	42	0.0	-37.18	353.69	8.60	-28.58
CC1CC1C([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C(=O)[O-]	REAL300012068897	0	43	0.0	-38.13	363.50	10.00	-28.13
CC1CC1C([NH2+]CC1=CSC(C2=CC=CC=N2)=N1)C(=O)[O-]	REAL300012068898	0	38	0.0	-30.43	327.61	6.81	-23.62
CC1CC1C([NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)N=C1)C(=O)[O-]	REAL300012068899	0	49	0.0	-37.64	388.53	7.93	-29.71
CC1CC1C([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C(=O)[O-]	REAL300012068900	0	40	0.0	-35.41	338.84	8.66	-26.75
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(Br)=C1OC(F)F	REAL300012068901	0	41	0.0	-39.01	357.84	8.10	-30.91
CC1CC1C([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300012068902	0	40	0.0	-30.15	328.63	10.62	-19.53
CC1CC1C([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C(=O)[O-]	REAL300012068903	0	47	0.0	-31.01	356.56	9.98	-21.03
CC1=CC=C(C2=NC(C[NH2+]C(C(=O)[O-])C3CC3C)=CS2)C=C1	REAL300012068904	0	42	0.0	-29.26	356.66	9.47	-19.79
CC1CC1C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C(=O)[O-]	REAL300012068905	0	47	0.0	-33.36	377.46	11.23	-22.13
CC1CC1C([NH2+]CC1=CSC(COC2=CC=CC=C2)=N1)C(=O)[O-]	REAL300012068906	0	43	0.0	-30.21	366.85	8.31	-21.90
CC1CC1C([NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)C(=O)[O-]	REAL300012068907	0	42	0.0	-30.69	373.95	9.79	-20.90
CC1CC1C([NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300012068908	0	43	0.0	-29.60	380.51	8.72	-20.88
CC1=CC=C(OCC2=NC(C[NH2+]C(C(=O)[O-])C3CC3C)=CS2)C=C1	REAL300012068909	0	46	0.0	-38.52	380.31	8.76	-29.76
COC1=CC=C(OCC2=NC(C[NH2+]C(C(=O)[O-])C3CC3C)=CS2)C=C1	REAL300012068910	0	47	0.0	-41.64	393.84	7.57	-34.07
CC1CC1C([NH2+]CC1=CSC(C2=CSC=C2)=N1)C(=O)[O-]	REAL300012068911	0	36	0.0	-38.51	323.79	7.70	-30.81
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300012068912	0	40	0.0	-39.62	342.17	10.82	-28.80
CC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)S2)C=C1	REAL300012068913	0	43	0.0	-33.57	347.55	11.85	-21.72
COC1=CC(OC)=CC(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)C=C2)=C1	REAL300012068914	0	52	0.0	-39.27	415.58	9.44	-29.83
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012068915	0	37	0.0	-32.22	332.70	8.45	-23.77
CC1CC1C([NH2+]CC1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300012068916	0	33	0.0	-29.20	294.55	9.07	-20.13
CC1CC1C([NH2+]CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300012068917	0	33	0.0	-28.56	291.89	9.01	-19.55
CC1CC1C([NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)C(=O)[O-]	REAL300012068918	0	44	0.0	-36.81	369.43	10.97	-25.84
CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC	REAL300012068919	0	48	0.0	-37.16	376.23	7.85	-29.31
CC1CC1C([NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012068920	0	53	0.0	-36.46	421.60	12.72	-23.74
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OC1=CC=CN=C1	REAL300012068921	0	46	0.0	-37.54	373.57	9.70	-27.84
CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3CC3C)S2)C=C1	REAL300012068922	0	42	0.0	-35.00	350.40	9.54	-25.46
CC1CC1C([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012068923	0	38	0.0	-32.79	323.81	8.93	-23.86
CC1CC1C([NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)C(=O)[O-]	REAL300012068924	0	40	0.0	-33.03	345.16	10.06	-22.97
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)O1	REAL300012068925	0	43	0.0	-36.62	349.68	10.42	-26.20
CCC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)O2)C=C1	REAL300012068926	0	46	0.0	-36.47	365.60	11.12	-25.35
CC1CC1C([NH2+]CC1=CC=C(OC2=CC=CC=C2)O1)C(=O)[O-]	REAL300012068927	0	41	0.0	-32.91	337.18	9.76	-23.15
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1Br	REAL300012068928	0	36	0.0	-31.80	309.90	9.19	-22.61
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1Br	REAL300012068929	0	36	0.0	-33.97	309.91	9.19	-24.78
CC1CC1C([NH2+]CC1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C(=O)[O-]	REAL300012068930	0	52	0.0	-30.00	403.70	12.10	-17.90
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]C(C(=O)[O-])C3CC3C)C=C2C)=C1	REAL300012068931	0	56	0.0	-34.97	447.18	13.57	-21.40
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1C	REAL300012068932	0	56	0.0	-33.68	438.88	13.48	-20.20
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300012068933	0	53	0.0	-33.63	435.86	13.38	-20.25
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1	REAL300012068934	0	51	0.0	-36.22	402.75	12.74	-23.48
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1F	REAL300012068935	0	47	0.0	-36.70	367.80	9.06	-27.64
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=C(SC)C=C1OC	REAL300012068936	0	45	0.0	-34.34	363.24	8.10	-26.24
COC1=CC=C2N=C(C[NH2+]C(C(=O)[O-])C3CC3C)SC2=C1	REAL300012068937	0	39	0.0	-33.55	329.56	6.78	-26.77
CC1CC1C([NH2+]CC1=NC2=CC=C(Cl)C=C2N1C)C(=O)[O-]	REAL300012068938	0	39	0.0	-38.75	330.47	8.74	-30.01
CC1CC1C([NH2+]CC1=CC=C(SC(F)F)C=C1)C(=O)[O-]	REAL300012068939	0	37	0.0	-37.71	317.73	9.24	-28.47
CC1CC1C([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300012068940	0	37	0.0	-37.64	312.82	7.53	-30.11
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012068941	0	39	0.0	-33.87	317.83	9.48	-24.39
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(Cl)=C1OC	REAL300012068942	0	41	0.0	-37.63	346.05	7.72	-29.91
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OC(C)C(=O)N(C)C	REAL300012068943	0	57	0.0	-47.76	440.45	9.79	-37.97
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OCC(C)C	REAL300012068944	0	50	0.0	-36.68	392.62	9.60	-27.08
CCCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OC	REAL300012068945	0	47	0.0	-36.94	372.51	8.92	-28.02
CC1CC1C([NH2+]CC1=CC=C(Br)S1)C(=O)[O-]	REAL300012068946	0	30	0.0	-28.45	274.51	7.87	-20.58
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(Cl)=C1OC	REAL300012068947	0	44	0.0	-38.40	370.98	8.76	-29.64
CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC	REAL300012068948	0	44	0.0	-38.05	370.98	8.79	-29.26
CCCCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OC	REAL300012068949	0	50	0.0	-36.81	394.01	9.70	-27.11
CCCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OCC	REAL300012068950	0	50	0.0	-36.58	411.25	10.40	-26.18
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC(F)F	REAL300012068951	0	41	0.0	-32.80	335.84	7.37	-25.43
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OC(F)F	REAL300012068952	0	44	0.0	-36.51	360.77	8.40	-28.11
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(C)=C1OC(F)F	REAL300012068953	0	43	0.0	-35.77	348.96	9.06	-26.71
CC1CC1C([NH2+]CC1=CSC(C2=CC=CC(Br)=C2)=N1)C(=O)[O-]	REAL300012068954	0	39	0.0	-29.65	356.56	9.40	-20.25
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC2=C1OCCO2	REAL300012068955	0	43	0.0	-35.58	341.03	6.91	-28.67
CC1CC1C([NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1)C(=O)[O-]	REAL300012068956	0	42	0.0	-33.48	361.82	9.31	-24.17
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012068957	0	40	0.0	-36.79	335.76	10.75	-26.04
CCCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC	REAL300012068958	0	47	0.0	-36.85	389.40	9.48	-27.37
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1)C(=O)[O-]	REAL300012068959	0	40	0.0	-34.22	342.28	9.96	-24.26
CC1CC1C([NH2+]CC1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300012068960	1	45	0.0	-29.77	352.14	8.62	-21.15
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OCC1=C(C)ON=C1C	REAL300012068961	0	53	0.0	-42.51	428.20	9.95	-32.56
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC=C2F)O1)C(=O)[O-]	REAL300012068962	0	40	0.0	-42.22	336.56	9.98	-32.24
CC1CC1C([NH2+]CC1=CC(Cl)=C2OCCOC2=C1)C(=O)[O-]	REAL300012068963	0	39	0.0	-36.76	330.89	7.70	-29.06
CC1CC1C([NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300012068964	0	46	0.0	-40.73	369.38	12.46	-28.27
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OCC1=CC=CS1	REAL300012068965	0	48	0.0	-37.41	398.08	10.13	-27.28
CC1CC1C([NH2+]CC1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300012068966	0	42	0.0	-37.54	349.30	8.47	-29.07
CC1CC1C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C(=O)[O-]	REAL300012068967	0	47	0.0	-34.70	392.34	11.83	-22.87
CC1CC1C([NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300012068968	0	40	0.0	-42.56	344.49	8.65	-33.91
CC1CC1C([NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1)C(=O)[O-]	REAL300012068969	0	39	0.0	-45.71	344.33	8.56	-37.15
CC1CC1C([NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1)C(=O)[O-]	REAL300012068970	0	39	0.0	-31.05	342.83	8.29	-22.76
CC1CC1C([NH2+]CC1=CC(Br)=C(Cl)S1)C(=O)[O-]	REAL300012068971	0	30	0.0	-33.26	290.20	8.09	-25.17
CC1=CC=C(SC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)C=C2[N+](=O)[O-])C=C1	REAL300012068972	0	49	0.0	-48.33	414.26	13.18	-35.15
CC1CC1C([NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012068973	0	50	0.0	-46.87	402.88	12.84	-34.03
COC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)O2)C([N+](=O)[O-])=C1	REAL300012068974	0	46	0.0	-37.97	384.19	10.47	-27.50
CC1CC1C([NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1)C(=O)[O-]	REAL300012068975	0	40	0.0	-32.48	362.55	10.85	-21.63
CC1CC1C([NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012068976	0	46	0.0	-49.07	391.53	12.21	-36.86
CC1CC1C([NH2+]CC1=CC=C(OC2=CC=CC=C2Cl)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012068977	0	46	0.0	-42.70	401.14	12.66	-30.04
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OC(C)C	REAL300012068978	0	47	0.0	-37.07	368.94	8.74	-28.33
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OCC	REAL300012068979	0	50	0.0	-35.69	391.29	9.73	-25.96
CC1CC1C([NH2+]CC1=CC=C(Br)C(Br)=C1)C(=O)[O-]	REAL300012068980	0	33	0.0	-36.15	307.60	9.05	-27.10
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1	REAL300012068981	0	55	0.0	-34.86	426.76	12.12	-22.74
CC(C[NH2+]C(C(=O)[O-])C1CC1C)CC1=CC=C(C(C)(C)C)C=C1	REAL300012068982	0	54	0.0	-32.60	400.31	12.25	-20.35
CC1CC1C([NH2+]CC1=C(Br)C=CS1)C(=O)[O-]	REAL300012068983	0	30	0.0	-29.05	277.59	7.61	-21.44
CC1CC1C([NH2+]CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300012068984	0	33	0.0	-29.05	281.79	8.58	-20.47
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3CC3C)=C2)C=C1	REAL300012068985	0	46	0.0	-34.39	358.09	11.87	-22.52
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2CC2C)=C1	REAL300012068986	0	37	0.0	-26.46	303.63	7.79	-18.67
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=C1	REAL300012068987	0	46	0.0	-35.32	366.48	12.08	-23.24
CC1CC1C([NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012068988	0	39	0.0	-36.72	348.21	10.00	-26.72
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OCC	REAL300012068989	0	47	0.0	-35.99	369.79	8.92	-27.07
CC1CC1C([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300012068990	0	36	0.0	-38.82	319.24	9.30	-29.52
CC1CC1C([NH2+]CC1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300012068991	0	33	0.0	-33.82	290.47	8.56	-25.26
CC1CC1C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300012068992	0	37	0.0	-36.52	316.41	7.79	-28.73
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1	REAL300012068993	0	47	0.0	-35.31	370.69	10.85	-24.46
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)C(=O)[O-]	REAL300012068994	0	43	0.0	-31.59	366.63	10.78	-20.81
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C(Br)=C1O	REAL300012068995	0	38	0.0	-35.36	314.41	5.66	-29.70
CC1CC1C([NH2+]CC1=CSC(Br)=C1)C(=O)[O-]	REAL300012068996	0	30	0.0	-35.15	282.07	7.68	-27.47
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OCC1=CC=CN=C1	REAL300012068997	0	50	0.0	-38.77	402.68	9.27	-29.50
CC1CC1C([NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1)C(=O)[O-]	REAL300012068998	0	40	0.0	-37.24	362.20	11.53	-25.71
CC1CC1C([NH2+]CC1=CC=C(OCC2=CC=C(Cl)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300012068999	0	47	0.0	-35.41	405.66	12.04	-23.37
CC1CC1C([NH2+]CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300012069000	0	33	0.0	-38.29	297.42	8.67	-29.62
CC1CC1C([NH2+]CC1=CC=C(N2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012069001	1	50	0.0	-34.14	373.19	6.55	-27.59
CC1CC1C([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C(=O)[O-]	REAL300012069002	0	42	0.0	-36.84	343.81	6.28	-30.56
CC1CC1C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300012069003	0	40	0.0	-39.67	335.66	9.28	-30.39
CC1CC1C([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300012069004	0	40	0.0	-37.97	342.90	9.62	-28.35
CC1CC1C([NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1)C(=O)[O-]	REAL300012069005	0	40	0.0	-33.20	371.18	9.81	-23.39
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(C)=C1OCC1=CC=CC=N1	REAL300012069006	0	52	0.0	-35.19	415.46	11.09	-24.10
CC1CC1C([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300012069007	0	40	0.0	-35.03	333.40	8.48	-26.55
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OCC1=CC=CC=C1	REAL300012069008	0	54	0.0	-37.36	429.70	11.98	-25.38
CC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1[N+](=O)[O-]	REAL300012069009	0	44	0.0	-34.64	352.38	10.39	-24.25
CC1CC1C([NH2+]CC1=CC(Br)=C2OCOC2=C1)C(=O)[O-]	REAL300012069010	0	36	0.0	-36.10	314.72	7.16	-28.94
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OCC(C)C	REAL300012069011	0	53	0.0	-36.59	414.47	10.52	-26.07
CC1CC1C([NH2+]CC1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300012069012	0	33	0.0	-32.12	289.45	8.70	-23.42
COC1=CC(Br)=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC	REAL300012069013	0	41	0.0	-28.09	341.44	7.67	-20.42
CC1CC1C([NH2+]CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300012069014	0	33	0.0	-37.33	297.28	8.65	-28.68
CC1CC1C([NH2+]CC1=CC(Br)=CS1)C(=O)[O-]	REAL300012069015	0	30	0.0	-32.57	282.11	7.73	-24.84
CCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OCC	REAL300012069016	0	53	0.0	-35.82	412.79	10.51	-25.31
CC1CC1C([NH2+]CC1=CC=C(OC2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300012069017	0	46	0.0	-39.59	399.39	12.66	-26.93
CC1CC1C([NH2+]CC1=CC=C(CSC(F)F)O1)C(=O)[O-]	REAL300012069018	0	37	0.0	-29.86	323.12	8.62	-21.24
CC1CC1C([NH2+]CC1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300012069020	0	33	0.0	-38.26	297.42	8.66	-29.60
CC1=CC=C(COC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)C=C2)C=C1	REAL300012069021	0	50	0.0	-36.35	400.59	11.94	-24.41
CC1CC1C([NH2+]CC1=CC=C(N2CCCCC2)C=C1)C(=O)[O-]	REAL300012069022	0	48	0.0	-34.49	360.85	9.26	-25.23
CCCCCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=C1	REAL300012069023	0	52	0.0	-33.02	405.26	11.34	-21.68
CC1CC1C([NH2+]CC1=CC=CC(OCCCC#N)=C1)C(=O)[O-]	REAL300012069024	0	44	0.0	-38.76	356.17	9.33	-29.43
CCCCCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OC	REAL300012069025	0	53	0.0	-34.57	412.44	10.37	-24.20
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OC	REAL300012069026	0	50	0.0	-35.30	386.62	9.42	-25.88
CCCCCCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=C1	REAL300012069027	0	55	0.0	-32.93	426.76	12.12	-20.81
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OCCCC#N	REAL300012069028	0	48	0.0	-44.84	390.29	9.32	-35.52
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OC	REAL300012069029	0	48	0.0	-37.15	383.33	9.47	-27.68
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OCCC(C)C	REAL300012069030	0	53	0.0	-36.67	411.58	10.22	-26.45
C=CCC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(OC)=C1O	REAL300012069031	0	45	0.0	-35.40	365.29	7.15	-28.25
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OCC(F)(F)F	REAL300012069032	0	47	0.0	-40.47	392.44	9.50	-30.97
CC1CC1C([NH2+]CC1=NC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300012069033	1	39	0.0	-38.08	333.58	8.76	-29.32
CC1CC1C([NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1)C(=O)[O-]	REAL300012069034	0	46	0.0	-37.38	361.38	7.02	-30.36
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1Cl	REAL300012069035	0	41	0.0	-38.22	350.70	9.36	-28.86
CC1CC1C([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012069036	0	39	0.0	-32.60	332.37	8.91	-23.69
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=C2OC(C)CC2=C1	REAL300012069037	0	45	0.0	-33.50	349.01	7.92	-25.58
CC1CC1C([NH2+]CC1=CSC(C2=CC=CS2)=N1)C(=O)[O-]	REAL300012069038	0	36	0.0	-37.85	318.95	7.61	-30.24
CC1CC1C([NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012069039	0	36	0.0	-34.84	322.80	9.38	-25.46
CC1CC1C([NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012069040	0	36	0.0	-35.68	330.44	9.60	-26.08
CC1CC1C([NH2+]CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300012069041	0	33	0.0	-34.03	303.52	9.05	-24.98
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C(Br)=C1	REAL300012069042	0	36	0.0	-30.70	301.22	9.00	-21.70
CC1CC1C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1)C(=O)[O-]	REAL300012069043	0	48	0.0	-38.07	396.69	11.66	-26.41
CC1CC1C([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300012069044	0	37	0.0	-36.25	322.62	8.01	-28.24
CC1CC1C([NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)C(=O)[O-]	REAL300012069045	0	41	0.0	-35.41	363.46	9.46	-25.95
CC1CC1C([NH2+]CC1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300012069046	0	38	0.0	-31.38	319.53	8.51	-22.87
CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2CC2C)=C1	REAL300012069047	0	33	0.0	-34.39	293.97	8.22	-26.17
CC1CC1C([NH2+]CC1=CC=C(Br)C2=CC=CN=C12)C(=O)[O-]	REAL300012069048	0	38	0.0	-34.24	320.87	9.11	-25.13
COC1=CC=C(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)C=C2)C=C1	REAL300012069049	0	48	0.0	-36.03	380.69	9.93	-26.10
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)C=C2)=C1	REAL300012069050	0	49	0.0	-36.05	384.94	12.71	-23.34
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1N1C=NC=N1	REAL300012069051	0	42	0.0	-38.07	339.35	11.45	-26.62
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069052	0	43	0.0	-35.86	361.78	10.19	-25.67
CC1CC1C([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300012069053	0	47	0.0	-37.97	388.10	11.35	-26.62
CC1CC1C([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012069054	0	44	0.0	-35.23	363.07	11.89	-23.34
CC1CC1C([NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1)C(=O)[O-]	REAL300012069055	0	39	0.0	-29.70	356.03	10.06	-19.64
CC1CC1C([NH2+]CC1=NC2=CC(Cl)=CC=C2N1C)C(=O)[O-]	REAL300012069056	0	39	0.0	-29.73	334.29	8.88	-20.85
CSC1=CC(Br)=CC=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069057	0	37	0.0	-31.36	321.55	9.35	-22.01
CC1CC1C([NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300012069058	0	43	0.0	-40.63	357.99	9.62	-31.01
CC1CC1C([NH2+]CC1=CC=C(OC(F)F)C(Br)=C1)C(=O)[O-]	REAL300012069059	0	37	0.0	-36.22	327.01	8.12	-28.10
CC1CC1C([NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1)C(=O)[O-]	REAL300012069060	0	46	0.0	-42.24	393.39	10.67	-31.57
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069061	0	47	0.0	-33.95	369.61	10.68	-23.27
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069062	0	46	0.0	-36.87	367.88	9.02	-27.85
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1Cl	REAL300012069063	0	37	0.0	-31.64	323.28	8.11	-23.53
CC1CC1C([NH2+]CC1=CN=C(C2=CC=CS2)S1)C(=O)[O-]	REAL300012069064	0	36	0.0	-31.85	324.24	7.98	-23.87
CC1CC1C([NH2+]CC1=CN=C(C2=CSC=C2)S1)C(=O)[O-]	REAL300012069065	0	36	0.0	-33.36	326.58	7.97	-25.39
CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3CC3C)S2)O1	REAL300012069066	0	39	0.0	-32.91	337.05	7.81	-25.10
CC1=CC(Br)=CC=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069067	0	36	0.0	-30.71	299.75	9.00	-21.71
CC1CC1C([NH2+]CC1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300012069068	0	33	0.0	-36.26	303.46	8.96	-27.30
CC1CC1C([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)C(=O)[O-]	REAL300012069069	0	42	0.0	-40.61	345.37	9.67	-30.94
CC1CC1C([NH2+]CC1=NC=C(Br)C=C1Br)C(=O)[O-]	REAL300012069070	0	32	0.0	-27.55	303.32	7.24	-20.31
CC1CC1C([NH2+]CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300012069071	0	33	0.0	-32.00	296.53	8.84	-23.16
COC1=C(Br)C=CC=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069072	0	37	0.0	-25.62	299.76	7.86	-17.76
CC1CC1C([NH2+]CC1=CC=C(OC2=CC=CC(Br)=C2)C=C1)C(=O)[O-]	REAL300012069073	0	44	0.0	-36.80	377.91	11.43	-25.37
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069074	0	43	0.0	-35.87	366.33	10.29	-25.58
CC1CC1C([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1)C(=O)[O-]	REAL300012069075	0	40	0.0	-31.28	334.00	9.84	-21.44
CC1CC1C([NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1)C(=O)[O-]	REAL300012069076	0	43	0.0	-41.26	367.27	10.14	-31.12
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(OC)=C1OC	REAL300012069077	0	45	0.0	-37.98	362.32	7.12	-30.86
CC1CC1C([NH2+]CC1=CC=C(N2CCOCC2)C=C1)C(=O)[O-]	REAL300012069078	0	46	0.0	-34.02	346.48	6.62	-27.40
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1	REAL300012069079	0	54	0.0	-32.76	412.53	12.91	-19.85
CC(C)CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1	REAL300012069080	0	49	0.0	-34.93	379.83	10.30	-24.63
CCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1	REAL300012069081	0	52	0.0	-32.98	399.82	11.16	-21.82
CC1CC1C([NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012069082	0	44	0.0	-33.67	356.61	10.81	-22.86
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C(OC)=C1OC	REAL300012069083	0	45	0.0	-28.83	350.18	7.61	-21.22
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OCC1=CC=CC=C1	REAL300012069084	0	51	0.0	-37.59	407.84	11.06	-26.53
COC1=CC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069085	0	37	0.0	-32.43	319.85	7.98	-24.45
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(Br)=C1O	REAL300012069086	0	38	0.0	-36.93	328.01	5.66	-31.27
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069087	0	45	0.0	-33.81	354.73	6.54	-27.27
CC1CC1C([NH2+]CC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012069088	0	55	0.0	-36.80	442.89	15.21	-21.59
CC1CC1C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012069089	0	47	0.0	-36.19	378.60	11.17	-25.02
CC1CC1C([NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1)C(=O)[O-]	REAL300012069090	0	40	0.0	-37.93	347.46	9.72	-28.21
CC1CC1C([NH2+]CC1=CC=CC=C1I)C(=O)[O-]	REAL300012069091	0	33	0.0	-30.98	283.49	8.85	-22.13
CC1CC1C([NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012069092	0	50	0.0	-36.71	393.42	11.25	-25.46
CC1CC1C([NH2+]CC1=CC=C(N(C)CCC#N)C=C1)C(=O)[O-]	REAL300012069093	0	45	0.0	-38.11	356.67	9.64	-28.47
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OCC(N)=O	REAL300012069094	0	45	0.0	-44.81	367.74	5.16	-39.65
CCNC(=O)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC	REAL300012069095	0	51	0.0	-47.48	408.09	7.33	-40.15
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1CC1C)OC(C)C2	REAL300012069096	0	45	0.0	-32.15	352.49	7.85	-24.30
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(OC)=C1OCC(N)=O	REAL300012069097	0	49	0.0	-46.78	398.40	4.93	-41.85
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(Cl)=C1OCC(N)=O	REAL300012069098	0	45	0.0	-45.79	387.71	5.81	-39.98
CCN(C(C)=O)C1=NC(C[NH2+]C(C(=O)[O-])C2CC2C)=CS1	REAL300012069099	0	42	0.0	-32.41	345.66	7.71	-24.70
CC1CC1C([NH2+]CC1=CC=CC(I)=C1)C(=O)[O-]	REAL300012069100	0	33	0.0	-32.81	295.69	9.07	-23.74
CC1CC1C([NH2+]CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012069101	0	33	0.0	-33.35	290.25	8.89	-24.46
CC1CC1C([NH2+]CC1=CC(Br)=CC(Br)=C1)C(=O)[O-]	REAL300012069102	0	33	0.0	-32.74	309.93	9.11	-23.63
CC1CC1C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300012069103	0	43	0.0	-36.59	358.85	11.91	-24.68
CC1CC1C([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012069104	0	46	0.0	-36.30	371.37	9.47	-26.83
CC1CC1C([NH2+]CC1=CN=C(N2CCOCC2)S1)C(=O)[O-]	REAL300012069105	0	42	0.0	-32.02	336.29	5.37	-26.65
CC(=O)N(C1=NC(C[NH2+]C(C(=O)[O-])C2CC2C)=CS1)C1=CC=C(F)C=C1	REAL300012069106	0	46	0.0	-32.16	397.14	10.37	-21.79
CC1=CC=CN2C=C(COC3=CC=C(C[NH2+]C(C(=O)[O-])C4CC4C)C=C3)N=C12	REAL300012069107	0	53	0.0	-40.46	421.08	12.19	-28.27
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OC	REAL300012069108	0	47	0.0	-36.93	367.55	8.05	-28.88
CC1CC1C([NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1)C(=O)[O-]	REAL300012069109	0	42	0.0	-31.20	358.23	7.35	-23.85
CC1CC1C([NH2+]CC1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300012069110	0	36	0.0	-28.24	321.49	9.46	-18.78
CC1CC1C([NH2+]CC1=CSC=C1Br)C(=O)[O-]	REAL300012069111	0	30	0.0	-30.95	273.89	7.35	-23.60
CC1CC1C([NH2+]CC1=CC(F)=CC(Br)=C1)C(=O)[O-]	REAL300012069112	0	33	0.0	-34.58	298.12	8.68	-25.90
CC1CC1C([NH2+]CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300012069113	0	33	0.0	-34.87	285.51	8.37	-26.50
CC1CC1C([NH2+]CC1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300012069114	0	33	0.0	-38.16	293.51	8.52	-29.64
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C(Br)=C1	REAL300012069115	0	37	0.0	-32.83	309.24	7.62	-25.21
CC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1Br	REAL300012069116	0	36	0.0	-33.51	327.99	9.69	-23.82
CC1=CC(Br)=C(C[NH2+]C(C(=O)[O-])C2CC2C)S1	REAL300012069117	0	33	0.0	-30.48	301.99	8.45	-22.03
CC1CC1C([NH2+]CC1=CC=CC(C(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012069118	0	48	0.0	-34.19	377.61	10.68	-23.51
CC1CC1C([NH2+]CC1=CC=C2C(=C1)CCC(=O)N2C)C(=O)[O-]	REAL300012069119	0	44	0.0	-40.59	347.13	8.93	-31.66
CC1CC1C([NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1)C(=O)[O-]	REAL300012069120	0	39	0.0	-32.69	349.09	9.43	-23.26
CC1CC1C([NH2+]CC1=CN=C(C2=CC=CC=C2F)S1)C(=O)[O-]	REAL300012069121	0	39	0.0	-36.23	336.88	9.15	-27.08
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(OC)=C1OCC(F)F	REAL300012069122	0	48	0.0	-40.22	389.25	8.15	-32.07
CC1CC1C([NH2+]CC1=CC=NC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300012069123	0	38	0.0	-36.40	319.37	8.77	-27.63
CC1CC1C([NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300012069124	0	39	0.0	-34.70	340.52	9.13	-25.57
CC1CC1C([NH2+]CC1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300012069125	0	33	0.0	-36.08	303.46	8.96	-27.12
CC1CC1C([NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300012069126	0	45	0.0	-34.37	380.01	10.51	-23.86
CC1CC1C([NH2+]CC1=CC=C(OC(F)(F)F)C(Br)=C1)C(=O)[O-]	REAL300012069127	0	37	0.0	-37.08	336.83	8.46	-28.62
CC1CC1C([NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300012069128	0	44	0.0	-36.26	359.07	10.76	-25.50
CC1CC1C([NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012069129	0	47	0.0	-36.58	378.78	10.43	-26.15
CC1=CC=CC=C1N1C=C(C[NH2+]C(C(=O)[O-])C2CC2C)N=N1	REAL300012069130	0	42	0.0	-44.00	341.96	8.69	-35.31
CC1CC1C([NH2+]CC1=CC(Br)=NN1C)C(=O)[O-]	REAL300012069131	0	33	0.0	-34.59	290.25	6.05	-28.54
CC1CC1C([NH2+]CC1=CC=C(C2=CN(C)N=C2)S1)C(=O)[O-]	REAL300012069132	0	40	0.0	-36.53	336.43	8.47	-28.06
CC1CC1C([NH2+]CC1=CC=C2OCCCCOC2=C1)C(=O)[O-]	REAL300012069133	0	45	0.0	-34.71	346.39	8.76	-25.95
CC1CC1C([NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C(=O)[O-]	REAL300012069134	0	33	0.0	-25.94	292.99	8.94	-17.00
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC=C2Br)C=C1)C(=O)[O-]	REAL300012069135	0	43	0.0	-35.07	359.10	11.84	-23.23
CC1CC1C([NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)C(=O)[O-]	REAL300012069136	0	43	0.0	-39.07	364.88	10.10	-28.97
CC1=CC(Br)=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1Cl	REAL300012069137	0	36	0.0	-26.41	318.21	9.56	-16.85
CC1CC1C([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012069138	0	43	0.0	-32.94	369.65	9.97	-22.97
COCCOCC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1	REAL300012069139	0	47	0.0	-36.22	373.02	7.75	-28.47
CC1=C(C[NH2+]C(C(=O)[O-])C2CC2C)SC2=C(Cl)C=CC=C12	REAL300012069140	0	39	0.0	-38.26	338.42	10.53	-27.73
CC1CC1C([NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012069141	0	47	0.0	-42.68	390.76	10.29	-32.39
CC1CC1C([NH2+]CC1=CC=C(F)C=C1I)C(=O)[O-]	REAL300012069142	0	33	0.0	-32.19	293.56	8.92	-23.27
CC1CC1C([NH2+]CC1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300012069143	0	32	0.0	-33.04	288.60	6.94	-26.10
CC1CC1C([NH2+]CC1=CC(OC(F)F)=CC=C1Br)C(=O)[O-]	REAL300012069144	0	37	0.0	-26.93	313.39	8.06	-18.87
CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3CC3C)S2)C=C1C	REAL300012069145	0	45	0.0	-33.71	373.81	10.23	-23.48
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069146	0	43	0.0	-41.13	353.25	9.95	-31.18
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069147	0	43	0.0	-38.47	364.61	10.63	-27.84
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069148	0	43	0.0	-38.83	360.97	10.49	-28.34
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069149	0	46	0.0	-35.41	366.50	10.34	-25.07
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069150	0	43	0.0	-34.78	370.13	10.42	-24.36
CC1CC1C([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1)C(=O)[O-]	REAL300012069151	0	47	0.0	-34.39	388.73	11.40	-22.99
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069152	0	46	0.0	-35.68	366.57	10.33	-25.35
CC1CC1C([NH2+]CC1=CC2=CC(Br)=CC=C2O1)C(=O)[O-]	REAL300012069153	0	36	0.0	-30.96	316.51	9.03	-21.93
CC1CC1C([NH2+]CC1=CC=C2CCN(C(=O)OC(C)(C)C)CC2=C1)C(=O)[O-]	REAL300012069154	0	57	0.0	-36.89	433.24	11.06	-25.83
CC1CC1C([NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300012069155	0	39	0.0	-30.28	344.35	9.60	-20.68
CC(C)OC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1Cl	REAL300012069156	0	43	0.0	-32.21	367.46	9.83	-22.38
CC1CC1C([NH2+]CC1=CC=C(OC2CCOC2)C=C1)C(=O)[O-]	REAL300012069157	0	45	0.0	-38.58	353.25	7.62	-30.96
COC(=O)C1=C2CCCCN2C(C[NH2+]C(C(=O)[O-])C2CC2C)=C1	REAL300012069158	0	47	0.0	-38.91	369.09	9.62	-29.29
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC(C(F)(F)F)=C1	REAL300012069159	0	40	0.0	-34.82	335.56	8.18	-26.64
C=CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC	REAL300012069160	0	45	0.0	-37.14	380.80	9.25	-27.89
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC1CC1	REAL300012069161	0	45	0.0	-37.50	360.20	8.87	-28.63
CC1CC1C([NH2+]CC1=CC(Cl)=CC=C1I)C(=O)[O-]	REAL300012069162	0	33	0.0	-27.19	295.23	9.39	-17.80
COCC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1	REAL300012069163	0	47	0.0	-38.16	369.50	8.18	-29.98
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C(=O)[O-]	REAL300012069164	0	40	0.0	-35.32	335.28	10.59	-24.73
CC1CC1C([NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300012069165	0	46	0.0	-32.06	360.59	10.11	-21.95
CC1CC1C([NH2+]CC1=CC(C(F)(F)F)=C(Br)C=C1F)C(=O)[O-]	REAL300012069166	0	36	0.0	-32.24	330.40	9.54	-22.70
CC1CC1C([NH2+]CC1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300012069167	0	42	0.0	-37.14	360.60	10.36	-26.78
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1C(C)(C)C	REAL300012069168	0	49	0.0	-32.72	368.01	9.87	-22.85
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=NC=C1Br	REAL300012069169	0	35	0.0	-28.95	305.23	7.35	-21.60
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=C(Br)C=C1F	REAL300012069170	0	36	0.0	-25.84	309.47	9.17	-16.67
CC1CC1C([NH2+]CC1=C(O)C=CC=C1Br)C(=O)[O-]	REAL300012069171	0	34	0.0	-28.91	290.24	5.48	-23.43
CC1CC1C([NH2+]CC1=CSC(C2=CN(C)N=C2)=N1)C(=O)[O-]	REAL300012069172	0	39	0.0	-42.93	337.42	6.56	-36.37
CC1CC1C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C(=O)[O-]	REAL300012069173	0	39	0.0	-31.00	326.66	7.79	-23.21
CC1CC1C([NH2+]CC1=CN(C)N=C1Br)C(=O)[O-]	REAL300012069174	0	33	0.0	-28.75	290.88	6.18	-22.57
CC1CC1C([NH2+]CC1=NC=C(Br)C=C1F)C(=O)[O-]	REAL300012069175	0	32	0.0	-31.10	292.08	6.80	-24.30
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OC	REAL300012069176	0	41	0.0	-28.76	337.87	7.56	-21.20
CC1CC1C([NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300012069177	0	39	0.0	-37.01	328.89	9.76	-27.25
CC1CC1C([NH2+]CC1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012069178	0	53	0.0	-38.35	418.31	8.45	-29.90
CCOC(=O)C1=C(C)C(C[NH2+]C(C(=O)[O-])C2CC2C)=C(C)N1	REAL300012069179	0	46	0.0	-33.30	368.24	8.37	-24.93
CC1CC1C([NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1)C(=O)[O-]	REAL300012069180	0	43	0.0	-33.51	363.43	11.97	-21.54
CC1=CC(Br)=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1Br	REAL300012069181	0	36	0.0	-27.52	325.33	9.76	-17.76
CC1CC1C([NH2+]CC1=CC=C(Br)C(F)=C1F)C(=O)[O-]	REAL300012069182	0	33	0.0	-27.27	293.92	8.79	-18.48
CC1CC1C([NH2+]CC1=C(Br)SC=C1)C(=O)[O-]	REAL300012069183	0	30	0.0	-26.92	278.37	7.66	-19.26
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=C(F)C=C1OC	REAL300012069184	0	44	0.0	-28.59	347.69	8.21	-20.38
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=C(F)C=C1Br	REAL300012069185	0	37	0.0	-28.78	321.74	7.88	-20.90
CC1CC1C([NH2+]CC1=CC=CC(Br)=C1Cl)C(=O)[O-]	REAL300012069186	0	33	0.0	-35.86	301.62	8.99	-26.87
CC1CC1C([NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1)C(=O)[O-]	REAL300012069187	0	47	0.0	-38.38	358.53	8.79	-29.59
CC1CC1C([NH2+]CC1=CC=C(OC(F)F)C=C1F)C(=O)[O-]	REAL300012069188	0	37	0.0	-41.05	315.23	7.59	-33.46
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C(C)=C1Br	REAL300012069189	0	39	0.0	-30.85	309.96	9.64	-21.21
CC1=CC=NC(C[NH2+]C(C(=O)[O-])C2CC2C)=C1Br	REAL300012069190	0	35	0.0	-27.46	295.78	7.04	-20.42
CC1CC1C([NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)C=C1)C(=O)[O-]	REAL300012069191	0	50	0.0	-34.83	384.55	8.03	-26.80
CC1CC1C([NH2+]CC1=CC(Br)=CC(F)=C1O)C(=O)[O-]	REAL300012069193	1	34	0.0	-32.65	304.48	5.79	-26.86
CC1=CC(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)C(Cl)=C2)=CC=C1F	REAL300012069194	0	47	0.0	-35.98	399.28	12.04	-23.94
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C(Cl)=C1	REAL300012069195	0	50	0.0	-27.57	411.26	12.74	-14.83
CC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2CC2C)S1	REAL300012069196	0	33	0.0	-31.48	295.06	8.29	-23.19
CC1CC1C([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300012069197	0	43	0.0	-36.64	358.85	11.90	-24.74
CC1CC1C([NH2+]CC1=CC=CC(F)=C1I)C(=O)[O-]	REAL300012069198	0	33	0.0	-33.07	288.78	8.74	-24.33
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1COC1=CC=CC=C1	REAL300012069199	0	51	0.0	-39.74	405.85	10.70	-29.04
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1CN1C=CC=N1	REAL300012069200	0	47	0.0	-38.53	379.55	8.87	-29.66
COC1=CC=C(CN2C=C(C[NH2+]C(C(=O)[O-])C3CC3C)N=N2)C=C1	REAL300012069201	0	46	0.0	-34.85	378.08	7.64	-27.21
CC1CC1C([NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012069202	0	43	0.0	-38.54	353.98	8.26	-30.28
CC1CC1C([NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012069203	0	47	0.0	-35.86	378.61	11.16	-24.70
CC1CC1C([NH2+]CC1=CC(Br)=C(Br)S1)C(=O)[O-]	REAL300012069204	0	30	0.0	-33.28	294.55	8.20	-25.08
CC1CC1C([NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300012069205	0	39	0.0	-28.59	348.91	9.19	-19.40
COC1=CC=C(C2=NC(C[NH2+]C(C(=O)[O-])C3CC3C)=CS2)C=C1	REAL300012069206	0	43	0.0	-29.41	361.62	7.99	-21.42
CC1CC1C([NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)C(=O)[O-]	REAL300012069208	0	41	0.0	-43.16	341.50	4.68	-38.48
CC1CC1C([NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1)C(=O)[O-]	REAL300012069209	0	47	0.0	-41.75	399.69	11.39	-30.36
CC1CC1C([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300012069210	0	38	0.0	-30.24	312.06	9.33	-20.91
CC1CC1C([NH2+]CC1=NC2=CC=C(Br)C=C2S1)C(=O)[O-]	REAL300012069211	0	35	0.0	-30.29	316.96	7.91	-22.38
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069212	0	43	0.0	-38.82	349.07	10.51	-28.31
CC1CC1C([NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1)C(=O)[O-]	REAL300012069213	0	52	0.0	-33.85	404.39	11.39	-22.46
CC1CC1C([NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1)C(=O)[O-]	REAL300012069214	0	39	0.0	-47.98	336.94	8.45	-39.53
CC1CC1C([NH2+]CC1=CN2C=CC(Br)=CC2=N1)C(=O)[O-]	REAL300012069215	0	36	0.0	-42.41	312.26	8.96	-33.45
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069216	0	44	0.0	-35.81	353.97	9.29	-26.52
CC1CC1C([NH2+]CC1=CC(I)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012069217	0	35	0.0	-40.54	326.41	9.76	-30.78
COCC1=CC=CC=C1C=C(C)C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069218	0	47	0.0	-36.11	368.93	9.60	-26.51
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3CC3C)C=N2)C=C1	REAL300012069219	0	44	0.0	-40.23	358.73	8.51	-31.72
CC1CC1C([NH2+]CC1=CC=C(N(C)CC2=CC=CS2)C=C1)C(=O)[O-]	REAL300012069220	0	48	0.0	-35.14	389.80	11.39	-23.75
CC1CC1C([NH2+]CC1=CC=C(N2CCCCC2)C(Br)=C1)C(=O)[O-]	REAL300012069221	0	48	0.0	-32.25	387.95	10.46	-21.79
CC1CC1C([NH2+]CC1=CC=C(S(C)(=O)=O)S1)C(=O)[O-]	REAL300012069222	0	36	0.0	-42.30	315.57	4.47	-37.83
CC1CC1C([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1F)C(=O)[O-]	REAL300012069223	0	38	0.0	-37.36	329.12	3.01	-34.35
CC1=C(Br)C=NC=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069224	0	35	0.0	-35.28	297.12	7.26	-28.02
COC1=CC=C(C2=CC(C[NH2+]C(C(=O)[O-])C3CC3C)=CC3=C2OCO3)C=N1	REAL300012069225	0	49	0.0	-41.00	404.34	7.03	-33.97
CC1CC1C([NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C(=O)[O-]	REAL300012069226	0	53	0.0	-38.07	407.94	6.84	-31.23
CC1CC1C([NH2+]CC(CC(F)F)NC(=O)OC(C)(C)C)C(=O)[O-]	REAL300012069227	0	49	0.0	-38.63	372.70	6.62	-32.01
CC1CC1C([NH2+]CC1=CSC(C2=NN(C)C=C2)=N1)C(=O)[O-]	REAL300012069228	0	39	0.0	-33.25	340.04	6.47	-26.78
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=C1Br	REAL300012069229	0	36	0.0	-30.75	298.01	8.90	-21.85
CC1CC1C([NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300012069230	0	44	0.0	-32.51	362.46	10.80	-21.71
CC1CC1C([NH2+]CC1=CC(Br)=CC=C1Br)C(=O)[O-]	REAL300012069231	0	33	0.0	-28.37	296.47	9.12	-19.25
CC1=C(Cl)C=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=C1Cl	REAL300012069232	0	36	0.0	-32.54	310.61	9.28	-23.26
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=C(C)C=C1I	REAL300012069233	0	39	0.0	-30.35	323.80	10.01	-20.34
CC1CC1C([NH2+]CC1=CC(C#N)=CC=C1Br)C(=O)[O-]	REAL300012069234	0	34	0.0	-30.35	294.95	8.88	-21.47
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3CC3C)=CC2=C1	REAL300012069235	0	40	0.0	-35.05	329.41	8.61	-26.44
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1	REAL300012069236	0	49	0.0	-37.13	373.73	9.51	-27.62
CCN(C)C(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1	REAL300012069237	0	46	0.0	-39.65	360.77	8.83	-30.82
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)C(C)=C2)C=C1	REAL300012069238	0	46	0.0	-37.42	360.06	10.12	-27.30
CC1CC1C([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300012069239	0	39	0.0	-34.91	333.67	9.66	-25.25
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069240	0	43	0.0	-36.01	353.99	10.07	-25.94
CCC1=CC(Br)=C(C[NH2+]C(C(=O)[O-])C2CC2C)S1	REAL300012069241	0	36	0.0	-26.79	315.52	9.01	-17.78
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)C=C2)C=C1Cl	REAL300012069242	0	43	0.0	-41.41	364.83	10.26	-31.15
COC(=O)C1=CC2=C(C=C(C[NH2+]C(C(=O)[O-])C3CC3C)O2)N1	REAL300012069243	0	40	0.0	-31.81	331.07	6.84	-24.97
CC1CC1C([NH2+]CC1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300012069244	0	33	0.0	-34.00	308.44	9.12	-24.88
CC1CC1C([NH2+]CC1=CC=C(N2CCN(C(=O)OC(C)(C)C)CC2)O1)C(=O)[O-]	REAL300012069245	0	59	0.0	-33.38	449.10	7.86	-25.52
COC1=CC=CC(C2=CSC(C[NH2+]C(C(=O)[O-])C3CC3C)=N2)=C1	REAL300012069246	1	43	0.0	-37.11	359.92	7.96	-29.15
CC1CC1C([NH2+]CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C(=O)[O-]	REAL300012069247	0	53	0.0	-38.63	415.81	8.43	-30.20
COC(=O)C1=C2COCCN2C(C[NH2+]C(C(=O)[O-])C2CC2C)=C1	REAL300012069248	0	45	0.0	-39.83	360.75	7.23	-32.60
CC1CC1C([NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300012069249	0	50	0.0	-40.40	382.73	9.91	-30.49
CC1CC1C([NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C(=O)[O-]	REAL300012069250	0	36	0.0	-26.50	322.19	9.80	-16.70
CC1CC1C([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1Br)C(=O)[O-]	REAL300012069251	0	38	0.0	-33.99	336.95	3.43	-30.56
CC1CC1C([NH2+]CC1=CC=C(F)C(Br)=C1F)C(=O)[O-]	REAL300012069252	0	33	0.0	-27.36	293.32	8.77	-18.59
CC1CC1C([NH2+]CC1=CN(CC2=CC=CC=C2)N=N1)C(=O)[O-]	REAL300012069253	0	42	0.0	-32.90	348.57	8.34	-24.56
CC1CC1C([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300012069254	0	53	0.0	-38.91	391.05	8.91	-30.00
CC1=CC(Br)=CN=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069255	0	35	0.0	-27.21	299.61	7.25	-19.96
CC1CC1C([NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C(=O)[O-]	REAL300012069256	0	39	0.0	-36.51	336.35	5.70	-30.81
CC1CC1C([NH2+]CC1=CC=C2CCN(C(=O)OCC3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300012069257	0	55	0.0	-44.92	444.09	12.78	-32.14
CC1=NC(Cl)=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1Br	REAL300012069258	0	35	0.0	-34.67	313.48	7.71	-26.96
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)C=C2)O1	REAL300012069259	0	50	0.0	-38.46	411.36	9.98	-28.48
CC1=C(Br)C(C[NH2+]C(C(=O)[O-])C2CC2C)=C(C)S1	REAL300012069260	0	36	0.0	-31.75	319.27	8.96	-22.79
CC1CC1C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300012069261	0	37	0.0	-36.79	321.97	7.81	-28.98
CC1CC1C([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300012069262	0	39	0.0	-34.09	339.11	9.85	-24.24
CC1=NC=CN1C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C(C)=C1	REAL300012069263	0	46	0.0	-37.25	363.74	10.98	-26.27
CC1=C(C)N(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)C=C2)C=N1	REAL300012069264	0	46	0.0	-38.91	360.20	11.40	-27.51
CC1CC1C([NH2+]CC1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300012069265	0	36	0.0	-32.29	320.30	9.89	-22.40
CC1CC1C([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C(=O)[O-]	REAL300012069266	0	43	0.0	-29.20	341.21	9.98	-19.22
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069267	0	46	0.0	-40.70	383.66	10.69	-30.01
CC1CC1C([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012069268	0	40	0.0	-33.95	341.21	9.36	-24.59
COC1=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=CC=C1C(C)(C)C	REAL300012069269	0	49	0.0	-30.92	363.77	9.74	-21.18
CC1CC1C([NH2+]CC1=NC(Br)=CN1C)C(=O)[O-]	REAL300012069270	0	33	0.0	-40.68	288.70	6.73	-33.95
CC1CC1C([NH2+]CC1=CC(C(C)(C)OCC2=CC=CC=C2)=CC=C1F)C(=O)[O-]	REAL300012069271	0	56	0.0	-29.93	432.71	12.89	-17.04
CC1CC1C([NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C(=O)[O-]	REAL300012069272	0	39	0.0	-50.43	324.68	7.08	-43.35
CC1CC1C([NH2+]CC1=CC2=CC=CC=C2N(C)C1=O)C(=O)[O-]	REAL300012069273	0	42	0.0	-45.48	329.82	8.58	-36.90
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1	REAL300012069274	0	43	0.0	-38.12	364.10	8.74	-29.38
CC1CC1C([NH2+]CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012069275	0	50	0.0	-39.18	389.72	8.22	-30.96
CC1CC1C([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C(=O)[O-]	REAL300012069276	0	39	0.0	-37.10	330.26	8.66	-28.44
CC1CC1C([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C(=O)[O-]	REAL300012069277	0	40	0.0	-33.45	328.04	10.21	-23.24
CC1CC1C([NH2+]CC1=CC=C(Cl)C(Br)=C1F)C(=O)[O-]	REAL300012069278	0	33	0.0	-26.84	302.57	9.17	-17.67
CC1CC1C([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300012069279	0	44	0.0	-37.17	373.34	11.33	-25.84
COC1=CC=CC(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)C=C2)=C1	REAL300012069280	0	48	0.0	-39.75	386.12	10.12	-29.63
CCN1CCCC2=CC(C[NH2+]C(C(=O)[O-])C3CC3C)=CC=C21	REAL300012069281	0	48	0.0	-32.83	359.35	9.01	-23.82
CC1CC1C([NH2+]CC1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300012069282	0	33	0.0	-32.29	293.14	6.20	-26.09
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1	REAL300012069283	0	48	0.0	-38.46	387.21	10.75	-27.71
CC1CC1C([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C(=O)[O-]	REAL300012069284	0	37	0.0	-34.83	323.74	9.34	-25.49
CC1CC1C([NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300012069285	0	47	0.0	-37.37	398.42	11.80	-25.57
CC1CC1C([NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C(=O)[O-]	REAL300012069286	0	46	0.0	-35.42	360.54	8.56	-26.86
CC1CC1C([NH2+]CC1=CC=C(Br)C=C1OC(F)F)C(=O)[O-]	REAL300012069287	0	37	0.0	-35.80	329.61	8.27	-27.53
CC1=C(C[NH2+]C(C(=O)[O-])C2CC2C)SC2=CC(F)=CC=C12	REAL300012069288	0	39	0.0	-37.71	328.61	10.06	-27.65
CC1CC1C([NH2+]CC1=CC=CC(OCC2CCC2)=C1)C(=O)[O-]	REAL300012069289	0	47	0.0	-34.59	366.93	10.24	-24.35
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OCCO	REAL300012069290	0	45	0.0	-39.45	359.31	4.92	-34.53
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1OCCO	REAL300012069291	0	45	0.0	-38.60	359.31	4.92	-33.68
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CC=C1OCC1CCCO1	REAL300012069292	0	52	0.0	-38.17	408.10	8.63	-29.54
CC1CC1C([NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1)C(=O)[O-]	REAL300012069293	0	42	0.0	-35.90	359.80	9.53	-26.37
CC1CC1C([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300012069294	0	36	0.0	-37.60	311.64	8.92	-28.68
CC1CC1C([NH2+]CC1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300012069295	0	36	0.0	-38.03	314.71	4.65	-33.38
CC1CC1C([NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1)C(=O)[O-]	REAL300012069296	0	40	0.0	-34.67	342.90	9.62	-25.05
CC1CC1C([NH2+]CC1=C(Br)C=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012069297	0	33	0.0	-31.66	320.74	8.85	-22.81
CC1CC1C([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C(=O)[O-]	REAL300012069298	0	40	0.0	-35.27	332.58	9.17	-26.10
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069299	0	42	0.0	-36.91	337.50	8.37	-28.54
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069300	0	49	0.0	-34.66	374.67	9.63	-25.03
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069301	0	47	0.0	-34.34	363.03	7.06	-27.28
CC1CC1C([NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012069302	0	38	0.0	-32.60	328.38	9.03	-23.57
CC1CC1C([NH2+]CC1=CC(S(N)(=O)=O)=CS1)C(=O)[O-]	REAL300012069303	0	35	0.0	-39.70	313.09	1.89	-37.81
CC1CC1C([NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300012069304	0	48	0.0	-39.34	368.61	7.30	-32.04
CC1=CC(Br)=C(F)C(C[NH2+]C(C(=O)[O-])C2CC2C)=C1	REAL300012069305	0	36	0.0	-27.08	313.86	9.20	-17.88
CC1CC1C([NH2+]CC1=CC=C(Br)C(Cl)=C1F)C(=O)[O-]	REAL300012069306	0	33	0.0	-26.84	302.72	9.18	-17.66
COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=C1Br	REAL300012069307	0	37	0.0	-33.83	308.44	7.68	-26.15
COC1=CC(F)=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1Br	REAL300012069308	0	37	0.0	-35.42	325.89	7.98	-27.44
CC1CC1C([NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)C(=O)[O-]	REAL300012069309	0	43	0.0	-44.42	356.98	10.40	-34.02
CC1=CC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069310	0	36	0.0	-31.09	285.91	9.06	-22.03
COC1=NC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC3C)C=C2S1	REAL300012069311	0	39	0.0	-37.35	326.88	5.60	-31.75
CC1CC1C([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C(=O)[O-]	REAL300012069312	0	33	0.0	-26.94	300.76	8.88	-18.06
CC1CC1C([NH2+]CC1=CC=CC(OCC(C)(C)C)=C1)C(=O)[O-]	REAL300012069313	0	49	0.0	-30.76	374.26	10.12	-20.64
CC1CC1C([NH2+]CC1=CC(Br)=CC(Cl)=C1F)C(=O)[O-]	REAL300012069314	0	33	0.0	-29.06	312.41	9.15	-19.91
CC1CC1C([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C(=O)[O-]	REAL300012069315	0	36	0.0	-40.83	321.07	9.34	-31.49
CC1CC1C([NH2+]CC1=CC=C2CN(C(=O)OC(C)(C)C)CCC2=C1)C(=O)[O-]	REAL300012069316	0	57	0.0	-38.11	436.30	11.19	-26.92
CC1CC1C([NH2+]CC1=C(O)C=CC(F)=C1Br)C(=O)[O-]	REAL300012069317	0	34	0.0	-31.95	297.68	5.53	-26.42
CC1CC1C([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300012069318	0	49	0.0	-31.60	364.33	11.60	-20.00
CC1=C(C[NH2+]C(C(=O)[O-])C2CC2C)SC(Br)=C1	REAL300012069319	0	33	0.0	-32.90	292.86	8.20	-24.70
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069320	0	45	0.0	-41.06	366.05	10.06	-31.00
CC1CC1C([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012069321	0	46	0.0	-35.71	370.70	12.43	-23.28
CC1CC1C([NH2+]CC1=CC(Cl)=CC(Cl)=C1Br)C(=O)[O-]	REAL300012069322	0	33	0.0	-26.73	317.39	9.53	-17.20
CCCCC(=O)NC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=C1	REAL300012069323	0	49	0.0	-38.26	387.58	9.23	-29.03
CC1CC1C([NH2+]CC1=CSC(Br)=C1Br)C(=O)[O-]	REAL300012069324	0	30	0.0	-25.96	291.21	7.98	-17.98
CC1CC1C([NH2+]CC1=CC=CC(Br)=C1Br)C(=O)[O-]	REAL300012069325	0	33	0.0	-34.84	303.05	9.04	-25.80
CC1=C(C[NH2+]C(C(=O)[O-])C2CC2C)SC(Br)=C1Br	REAL300012069326	0	33	0.0	-29.70	313.28	8.73	-20.97
CC1CC1C([NH2+]CC1=CC(Cl)=CN=C1Br)C(=O)[O-]	REAL300012069327	0	32	0.0	-32.16	286.11	6.88	-25.28
CC1CC1C([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300012069328	0	37	0.0	-37.06	332.44	8.34	-28.72
CC1CC1C([NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C(=O)[O-]	REAL300012069329	0	43	0.0	-35.27	355.91	10.71	-24.56
CC1CC1C([NH2+]CC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	REAL300012069330	0	55	0.0	-31.82	421.35	12.69	-19.13
CC1CC1C([NH2+]CC1=CC=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300012069331	0	36	0.0	-34.65	322.83	9.49	-25.16
CC1CC1C([NH2+]CC1=CC2=NC=C(Br)C=C2O1)C(=O)[O-]	REAL300012069332	0	35	0.0	-31.33	306.54	7.35	-23.98
CC1CC1C([NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1)C(=O)[O-]	REAL300012069333	0	38	0.0	-37.93	333.09	8.23	-29.70
CC1CC1C([NH2+]CC1=CC2=C(CCOC2)N=C1Cl)C(=O)[O-]	REAL300012069334	0	40	0.0	-28.06	328.26	6.53	-21.53
CC1CC1C([NH2+]CC1=CC2=CC(Br)=CC=C2S1)C(=O)[O-]	REAL300012069335	0	36	0.0	-34.36	321.12	9.93	-24.43
CC1CC1C([NH2+]CC1=NC=C(CC2=CC=CC=C2)N1C)C(=O)[O-]	REAL300012069336	0	46	0.0	-28.92	369.90	10.51	-18.41
CC1CC1C([NH2+]CC1=CC=C(Br)C=C1Br)C(=O)[O-]	REAL300012069337	0	33	0.0	-33.12	305.36	9.11	-24.01
CC1CC1C([NH2+]CC1=CC(Br)=CC(F)=C1F)C(=O)[O-]	REAL300012069338	0	33	0.0	-29.36	302.52	8.72	-20.64
CC1CC1C([NH2+]CC1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300012069339	0	33	0.0	-35.65	312.11	9.09	-26.56
CC1CC1C([NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012069340	0	35	0.0	-41.13	319.93	9.29	-31.84
COC1=C(C[NH2+]C(C(=O)[O-])C2CC2C)C=CC(Br)=C1F	REAL300012069341	0	37	0.0	-35.06	318.81	8.12	-26.94
CC1CC1C([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C(=O)[O-]	REAL300012069342	0	36	0.0	-40.82	310.82	8.91	-31.91
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(C(=O)[O-])C1CC1C	REAL300012069343	0	51	0.0	-33.27	390.53	9.47	-23.80
CC1CC1C([NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C(=O)[O-]	REAL300012069344	0	39	0.0	-31.92	331.89	10.66	-21.26
CC1CC1C([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C(=O)[O-]	REAL300012069345	0	46	0.0	-34.93	350.08	4.79	-30.14
CC1CC1C([NH2+]CC1=CC=C(CN2C=C(Br)C=N2)C=C1)C(=O)[O-]	REAL300012069346	0	43	0.0	-36.01	367.95	10.05	-25.96
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC2C)=CN=C1N1C=CC=N1	REAL300012069347	0	42	0.0	-37.20	338.90	9.22	-27.98
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2CC2C)=C1O	REAL300012069348	0	38	0.0	-28.64	319.47	5.45	-23.19
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=C1	REAL300012069349	0	45	0.0	-42.36	354.46	6.39	-35.97
CC1=CC=C(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069350	0	45	0.0	-41.68	353.86	6.43	-35.25
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012069351	0	44	0.0	-53.82	360.55	5.56	-48.26
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1CC2C=CC1C2	REAL300012069352	0	44	0.0	-45.38	334.41	5.53	-39.85
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1CCCCC1	REAL300012069353	0	45	0.0	-44.01	340.81	5.36	-38.65
CC(C)(C)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069354	0	51	0.0	-46.82	396.38	7.39	-39.43
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012069355	0	46	0.0	-42.69	367.07	5.09	-37.60
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Br)O1	REAL300012069356	0	36	0.0	-40.57	319.40	3.83	-36.74
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069357	0	49	0.0	-51.26	398.51	6.87	-44.39
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012069358	0	47	0.0	-53.23	387.93	4.68	-48.55
CCOC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1OC	REAL300012069359	0	50	0.0	-50.51	400.03	5.32	-45.19
CCCCCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069360	0	55	0.0	-48.18	436.03	7.66	-40.52
CC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1C	REAL300012069361	0	45	0.0	-42.51	352.27	6.40	-36.11
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1C	REAL300012069362	0	45	0.0	-46.52	357.84	6.41	-40.11
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069363	0	49	0.0	-38.43	387.69	6.15	-32.28
CCCCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OC	REAL300012069364	0	56	0.0	-49.91	441.25	6.73	-43.18
CCCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OC	REAL300012069365	0	53	0.0	-49.72	420.21	6.08	-43.64
C=CCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OC	REAL300012069366	0	51	0.0	-50.09	411.61	5.86	-44.23
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012069367	0	46	0.0	-45.98	397.03	7.48	-38.50
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012069368	0	46	0.0	-45.60	397.15	7.52	-38.08
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012069369	0	49	0.0	-53.81	404.73	6.77	-47.04
CCC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012069370	0	48	0.0	-46.18	384.53	6.93	-39.25
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012069371	0	45	0.0	-42.50	388.48	5.85	-36.65
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012069372	0	43	0.0	-37.45	362.21	5.02	-32.43
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012069373	0	43	0.0	-50.71	374.51	6.63	-44.08
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012069374	0	46	0.0	-38.01	377.61	2.85	-35.16
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(Cl)=C1	REAL300012069375	0	43	0.0	-38.24	361.94	4.97	-33.27
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012069376	0	43	0.0	-50.29	364.10	4.96	-45.33
N#CC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069377	0	40	0.0	-56.11	341.34	5.49	-50.62
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012069378	0	46	0.0	-44.86	378.09	5.22	-39.64
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069379	0	49	0.0	-48.26	384.00	5.46	-42.80
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012069380	0	43	0.0	-36.66	358.38	4.20	-32.46
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069381	0	50	0.0	-43.73	396.43	4.36	-39.37
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012069382	0	42	0.0	-44.21	356.66	6.61	-37.60
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012069383	0	45	0.0	-48.73	364.18	5.65	-43.08
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])O2)C=C1	REAL300012069384	0	49	0.0	-44.07	398.87	7.57	-36.50
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])O1	REAL300012069385	0	46	0.0	-40.13	373.85	3.98	-36.15
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012069386	0	45	0.0	-43.92	370.79	3.32	-40.60
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012069387	0	54	0.0	-49.78	427.75	5.81	-43.97
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012069388	0	36	0.0	-41.24	324.22	4.70	-36.54
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012069389	0	46	0.0	-42.61	391.21	7.82	-34.79
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012069390	0	44	0.0	-38.38	359.60	5.74	-32.64
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069391	0	48	0.0	-49.53	389.33	4.20	-45.33
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012069392	0	46	0.0	-50.06	375.70	6.19	-43.87
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012069393	0	45	0.0	-53.25	373.47	7.59	-45.66
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012069394	0	46	0.0	-43.81	397.00	8.00	-35.81
CCC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])O1	REAL300012069395	0	42	0.0	-45.59	341.75	4.89	-40.70
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012069396	0	39	0.0	-41.57	331.74	5.32	-36.25
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012069397	0	42	0.0	-43.69	369.47	6.71	-36.98
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012069398	0	39	0.0	-45.40	333.64	5.64	-39.76
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012069399	0	39	0.0	-49.31	342.02	5.76	-43.55
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012069400	0	42	0.0	-54.32	361.97	6.08	-48.24
CCOC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069401	0	46	0.0	-46.12	368.32	5.20	-40.92
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1F	REAL300012069402	0	42	0.0	-51.04	344.83	5.87	-45.17
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012069403	0	39	0.0	-38.87	349.19	6.19	-32.68
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012069404	0	42	0.0	-53.00	355.05	6.22	-46.78
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012069405	0	39	0.0	-54.74	339.19	5.25	-49.49
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012069406	0	42	0.0	-49.90	362.82	6.09	-43.81
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012069407	0	42	0.0	-46.69	363.34	6.30	-40.39
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(Cl)=C1OC	REAL300012069408	0	47	0.0	-41.58	394.02	4.98	-36.60
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012069409	0	42	0.0	-47.45	357.15	6.77	-40.68
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012069410	0	39	0.0	-48.90	340.70	5.73	-43.17
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012069411	0	43	0.0	-44.31	374.39	5.38	-38.93
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012069412	0	38	0.0	-48.75	325.61	3.83	-44.92
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069413	0	48	0.0	-44.76	384.97	4.87	-39.89
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069414	0	48	0.0	-40.62	398.14	5.12	-35.50
COCCOC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069415	0	50	0.0	-52.41	405.47	4.60	-47.81
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1Cl	REAL300012069416	0	43	0.0	-47.65	363.64	5.01	-42.64
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012069417	0	44	0.0	-42.89	377.49	3.92	-38.97
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069418	0	51	0.0	-54.77	401.50	6.64	-48.13
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012069419	0	46	0.0	-50.28	390.73	5.73	-44.55
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012069420	0	45	0.0	-40.01	360.47	4.37	-35.64
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012069421	0	48	0.0	-39.60	380.07	5.17	-34.43
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069422	0	51	0.0	-40.20	403.06	7.06	-33.14
CCCOC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069423	0	49	0.0	-49.69	393.34	6.13	-43.56
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012069424	0	46	0.0	-46.21	385.81	7.82	-38.39
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012069425	0	53	0.0	-48.32	412.46	7.27	-41.05
CC(C)OC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069426	0	49	0.0	-49.92	390.40	6.01	-43.91
CC1=CC=C(C2=NC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CS2)C=C1	REAL300012069427	0	48	0.0	-39.82	406.04	6.51	-33.31
CC(C)C1=NC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CS1	REAL300012069428	0	44	0.0	-41.76	367.82	4.10	-37.66
CC(C)(C)C1=NC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CS1	REAL300012069429	0	47	0.0	-38.87	386.50	4.58	-34.29
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012069430	0	42	0.0	-41.28	373.11	4.73	-36.55
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012069431	0	46	0.0	-48.95	391.86	8.00	-40.95
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069432	0	53	0.0	-39.79	424.04	6.02	-33.77
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012069433	0	53	0.0	-37.50	411.31	7.41	-30.09
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])S2)C=C1	REAL300012069434	0	49	0.0	-46.14	406.85	8.60	-37.54
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069435	0	43	0.0	-45.21	379.54	5.42	-39.79
COCCCOC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069436	0	53	0.0	-47.94	423.49	5.07	-42.87
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])OC=C1	REAL300012069437	0	39	0.0	-45.77	321.06	3.99	-41.78
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CN=C1Cl	REAL300012069438	0	41	0.0	-45.80	350.70	4.49	-41.31
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069439	0	47	0.0	-44.09	385.80	4.10	-39.99
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012069440	0	43	0.0	-38.64	372.16	5.31	-33.33
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])S2)C=C1	REAL300012069441	0	48	0.0	-44.92	406.22	6.74	-38.18
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012069442	0	44	0.0	-43.36	373.43	6.02	-37.34
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012069443	0	44	0.0	-39.64	365.14	5.80	-33.84
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012069444	0	44	0.0	-43.96	363.13	5.58	-38.38
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012069445	0	44	0.0	-38.65	372.68	6.15	-32.50
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012069446	0	46	0.0	-43.98	394.53	7.10	-36.88
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])O1	REAL300012069447	0	49	0.0	-44.86	404.42	7.64	-37.22
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])O2)C=C1	REAL300012069448	0	52	0.0	-43.92	420.36	8.33	-35.59
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(OC(F)F)=C1	REAL300012069449	0	47	0.0	-43.59	385.03	4.07	-39.52
COC1=CC=C2OC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CC2=C1	REAL300012069450	0	46	0.0	-47.89	377.41	4.88	-43.01
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012069451	0	43	0.0	-49.30	365.88	6.98	-42.32
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012069452	0	45	0.0	-45.03	369.43	6.27	-38.76
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012069453	0	42	0.0	-43.61	345.53	5.52	-38.09
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012069454	0	47	0.0	-45.78	383.76	6.69	-39.09
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1Br	REAL300012069455	0	42	0.0	-49.61	357.60	6.35	-43.26
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N=C1	REAL300012069456	0	41	0.0	-39.59	336.21	3.86	-35.73
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012069457	0	43	0.0	-49.52	361.07	6.56	-42.96
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1Br	REAL300012069458	0	42	0.0	-47.07	357.14	6.21	-40.86
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012069459	0	46	0.0	-41.88	378.69	6.16	-35.72
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012069460	0	36	0.0	-42.69	321.77	4.69	-38.00
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012069461	0	44	0.0	-40.10	370.93	5.55	-34.55
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012069462	0	43	0.0	-50.66	358.16	5.25	-45.41
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012069463	0	43	0.0	-47.94	356.74	5.20	-42.74
CCOC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012069464	0	45	0.0	-42.02	366.28	2.60	-39.42
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012069465	0	47	0.0	-52.69	381.72	6.29	-46.40
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1Cl	REAL300012069466	0	42	0.0	-47.09	353.10	6.13	-40.96
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012069467	0	41	0.0	-45.34	349.91	4.66	-40.68
CCCC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069468	0	48	0.0	-45.66	382.49	7.37	-38.29
CCN(CC)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1F	REAL300012069469	0	53	0.0	-47.31	417.38	6.22	-41.09
COC1=CC=C2N=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])SC2=C1	REAL300012069470	0	45	0.0	-45.07	379.76	3.97	-41.10
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069471	0	45	0.0	-41.11	382.90	6.10	-35.01
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1C#N	REAL300012069472	0	44	0.0	-53.51	369.14	4.92	-48.59
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012069473	0	43	0.0	-49.94	367.17	6.25	-43.69
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069474	0	45	0.0	-40.89	370.69	6.79	-34.10
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012069475	0	43	0.0	-51.13	363.59	4.81	-46.32
CCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N=C1	REAL300012069476	0	45	0.0	-42.24	363.64	3.36	-38.88
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069477	0	45	0.0	-45.67	372.12	6.74	-38.93
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012069478	0	47	0.0	-51.56	396.39	4.86	-46.70
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OCC(C)C	REAL300012069479	0	56	0.0	-50.02	441.63	6.80	-43.22
CCCOC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1OC	REAL300012069480	0	53	0.0	-50.22	421.53	6.12	-44.10
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Br)S1	REAL300012069481	0	36	0.0	-41.21	328.86	4.81	-36.40
C=CCOC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069482	0	47	0.0	-47.41	384.05	5.85	-41.56
COC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1OC(C)C	REAL300012069483	0	53	0.0	-37.79	404.18	6.21	-31.58
CCCOC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=CC=C1OCC	REAL300012069484	0	56	0.0	-38.87	443.75	7.15	-31.72
CCCCOC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1OC	REAL300012069485	0	56	0.0	-50.08	444.08	6.80	-43.28
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OC(F)F	REAL300012069486	0	47	0.0	-46.29	386.16	4.52	-41.77
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012069487	0	49	0.0	-50.22	397.80	6.10	-44.12
CCOC1=CC2=C(C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-])OC(C)C2	REAL300012069488	0	54	0.0	-41.19	424.61	6.04	-35.15
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012069489	0	49	0.0	-50.98	394.21	4.14	-46.84
CCCCN1N=C(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1Cl	REAL300012069490	0	51	0.0	-41.86	421.06	6.21	-35.65
CC1=CC(C)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1C	REAL300012069491	0	48	0.0	-41.44	369.72	6.75	-34.69
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012069492	0	46	0.0	-47.22	387.61	8.01	-39.21
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012069493	0	46	0.0	-44.89	391.91	7.04	-37.85
CC(C)(C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-])C1=CC=CC=C1	REAL300012069494	0	48	0.0	-46.99	366.17	6.86	-40.13
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012069495	0	55	0.0	-44.05	424.44	6.69	-37.36
CC1CCC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])CC1	REAL300012069496	0	48	0.0	-47.02	352.15	5.70	-41.32
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069497	0	51	0.0	-48.44	397.13	8.04	-40.40
CCC1CCCC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C1	REAL300012069498	0	51	0.0	-48.72	380.56	6.70	-42.02
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-])=N2	REAL300012069499	0	51	0.0	-48.92	404.34	5.72	-43.20
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069500	0	45	0.0	-39.09	367.56	6.81	-32.28
CC1=C(C)C=C2OC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CC2=C1	REAL300012069501	0	48	0.0	-44.49	383.41	6.72	-37.77
CCCC1CCC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])CC1	REAL300012069502	0	54	0.0	-43.61	400.10	7.52	-36.09
CC1CCCCC1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069503	0	48	0.0	-45.25	352.04	5.70	-39.55
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012069504	0	46	0.0	-42.61	383.61	5.57	-37.04
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012069505	0	46	0.0	-53.13	373.31	7.37	-45.76
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012069506	0	46	0.0	-45.31	385.88	7.01	-38.30
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012069507	0	45	0.0	-51.28	380.98	4.81	-46.47
CCCCC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012069508	0	54	0.0	-39.00	428.30	8.77	-30.23
COC1=CC=C(C)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069509	0	46	0.0	-39.25	369.31	5.26	-33.99
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1F	REAL300012069510	0	43	0.0	-48.91	353.83	4.54	-44.37
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012069511	0	48	0.0	-52.65	365.81	5.89	-46.76
CC(C)C1CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])CCO1	REAL300012069512	0	52	0.0	-46.46	389.15	5.24	-41.22
CC1(C)CCC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])CC1	REAL300012069513	0	51	0.0	-44.34	375.17	6.48	-37.86
CCSC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069514	0	46	0.0	-47.32	381.48	6.90	-40.42
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012069515	1	40	0.0	-49.08	348.51	2.72	-46.36
COC1(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])CCCCC1	REAL300012069516	0	49	0.0	-40.38	362.82	4.56	-35.82
CCN1N=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C2=CC=CC=C21	REAL300012069517	0	48	0.0	-49.78	388.98	5.79	-43.99
COCCC1(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])CCCCC1	REAL300012069518	0	55	0.0	-41.07	391.78	5.09	-35.98
CCCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069519	0	49	0.0	-46.91	390.20	6.01	-40.90
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012069520	0	42	0.0	-44.67	345.11	5.53	-39.14
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012069521	0	46	0.0	-41.32	377.21	6.86	-34.46
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012069522	0	53	0.0	-49.65	416.63	5.90	-43.75
CCCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OCC	REAL300012069523	0	56	0.0	-50.14	443.38	7.04	-43.10
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012069524	0	44	0.0	-58.61	361.65	6.22	-52.39
CC(C)OC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069525	0	49	0.0	-46.69	388.31	5.93	-40.76
CC(C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012069526	0	60	0.0	-48.73	452.40	9.57	-39.16
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1F	REAL300012069527	0	42	0.0	-49.30	347.20	5.80	-43.50
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012069528	0	43	0.0	-44.80	351.12	5.23	-39.57
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(Br)C=CS1	REAL300012069529	0	36	0.0	-38.29	329.44	4.87	-33.42
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012069530	0	52	0.0	-43.20	402.88	4.56	-38.64
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012069531	0	39	0.0	-38.51	342.44	5.84	-32.67
CC(C)CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069532	0	51	0.0	-46.44	400.57	7.89	-38.55
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=C2)C=C1	REAL300012069533	0	52	0.0	-47.80	416.10	9.19	-38.61
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012069534	0	45	0.0	-52.47	373.17	5.76	-46.71
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012069535	0	39	0.0	-48.80	352.89	6.22	-42.58
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012069536	0	39	0.0	-48.01	340.82	5.61	-42.40
CC1=CC=CC(C)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069537	0	45	0.0	-42.19	349.01	6.03	-36.16
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(Br)=CO1	REAL300012069538	0	36	0.0	-47.09	322.51	3.83	-43.26
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069539	0	52	0.0	-48.06	413.71	9.11	-38.95
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012069540	0	43	0.0	-47.43	356.21	4.55	-42.88
CCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OCC	REAL300012069541	0	53	0.0	-50.35	421.88	6.24	-44.11
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012069542	0	39	0.0	-47.86	338.85	5.72	-42.14
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012069543	0	42	0.0	-53.43	369.55	6.44	-46.99
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012069544	0	39	0.0	-44.47	335.72	5.70	-38.77
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012069545	0	43	0.0	-49.64	363.65	4.82	-44.82
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012069546	0	39	0.0	-40.82	342.06	5.76	-35.06
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012069547	0	39	0.0	-50.35	332.25	5.34	-45.01
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012069548	0	39	0.0	-39.12	340.19	5.72	-33.40
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C2=CC=CC=C12	REAL300012069549	0	49	0.0	-43.84	382.12	6.34	-37.50
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012069550	0	46	0.0	-42.35	377.15	5.16	-37.19
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012069550	1	46	0.0	-44.85	378.39	5.18	-39.67
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012069551	0	39	0.0	-39.73	330.30	5.29	-34.44
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069552	0	45	0.0	-40.37	364.86	5.54	-34.83
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=N1	REAL300012069553	0	42	0.0	-45.90	345.08	1.88	-44.02
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012069554	0	44	0.0	-45.01	356.08	5.10	-39.91
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC(Br)=C1	REAL300012069555	0	36	0.0	-45.85	329.76	4.84	-41.01
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012069556	0	49	0.0	-49.22	394.70	8.51	-40.71
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012069557	0	50	0.0	-50.50	392.03	5.07	-45.43
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012069558	0	43	0.0	-44.15	350.85	5.06	-39.09
CC1=CC(F)=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069559	0	42	0.0	-46.07	334.70	5.57	-40.50
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012069560	0	39	0.0	-48.92	345.12	5.83	-43.09
CC1=NC(C)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069561	0	41	0.0	-44.81	341.16	3.42	-41.39
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012069562	0	48	0.0	-45.40	391.09	7.09	-38.31
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012069563	0	48	0.0	-52.32	389.71	6.75	-45.57
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012069564	0	48	0.0	-48.87	389.22	6.69	-42.18
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069565	0	54	0.0	-44.46	413.05	5.78	-38.68
CN1CCN(C2=CC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])C=C2)CC1	REAL300012069566	1	56	0.0	-47.09	426.56	3.69	-43.40
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012069567	0	48	0.0	-52.23	401.26	3.61	-48.62
CNC(=O)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069568	0	46	0.0	-52.04	373.82	3.27	-48.77
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012069569	0	46	0.0	-54.05	385.72	6.38	-47.67
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012069570	0	46	0.0	-52.08	393.21	6.76	-45.32
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012069571	0	46	0.0	-49.09	388.28	5.68	-43.41
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012069572	0	45	0.0	-43.99	366.31	7.51	-36.48
COC1=C2OC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CC2=CC=C1	REAL300012069573	0	46	0.0	-42.75	374.34	4.79	-37.96
CC(C)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012069574	0	50	0.0	-57.97	400.13	7.16	-50.81
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012069575	0	39	0.0	-40.85	346.63	5.87	-34.98
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012069576	0	39	0.0	-47.81	343.42	5.83	-41.98
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC(OC)=C1	REAL300012069577	0	47	0.0	-48.48	378.43	3.81	-44.67
COC1=CC2=CC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])C=C2C=C1	REAL300012069578	0	49	0.0	-45.59	393.50	6.73	-38.86
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(Br)=CS1	REAL300012069580	0	36	0.0	-44.24	331.46	4.96	-39.28
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069581	0	52	0.0	-43.35	416.50	7.35	-36.00
COC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1OC(F)F	REAL300012069582	0	47	0.0	-41.51	384.59	4.71	-36.80
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012069583	0	43	0.0	-49.77	380.30	5.81	-43.96
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012069584	0	45	0.0	-56.55	367.96	4.21	-52.34
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012069586	0	39	0.0	-49.09	346.44	5.86	-43.23
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012069587	0	54	0.0	-46.32	410.29	6.27	-40.05
CCCCCCOC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069588	0	58	0.0	-45.80	454.31	8.34	-37.46
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1SC	REAL300012069589	0	47	0.0	-50.22	388.34	5.55	-44.67
N#CCCCOC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069590	0	50	0.0	-53.27	410.67	6.52	-46.75
CCC(C)OC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1OC	REAL300012069591	0	56	0.0	-49.67	437.39	6.69	-42.98
C=C(C)COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1OC	REAL300012069592	0	54	0.0	-51.24	432.01	6.67	-44.57
C=CCC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC(OC)=C1O	REAL300012069593	0	51	0.0	-44.77	412.91	4.33	-40.44
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012069594	0	46	0.0	-46.99	376.36	4.90	-42.09
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069595	0	48	0.0	-48.81	397.96	6.19	-42.62
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012069596	0	45	0.0	-44.00	370.13	4.83	-39.17
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012069597	0	45	0.0	-52.67	383.24	5.84	-46.83
CN1C=NC2=CC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CC=C21	REAL300012069598	0	45	0.0	-48.97	367.82	6.54	-42.43
CCN1N=C(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1C	REAL300012069599	0	48	0.0	-44.68	379.29	4.60	-40.08
C=CCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1Cl	REAL300012069600	0	47	0.0	-47.61	398.40	6.52	-41.09
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012069601	0	45	0.0	-48.03	385.12	6.10	-41.93
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012069602	0	51	0.0	-38.63	404.87	5.07	-33.56
CC1(C)CC2=CC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CC=C2O1	REAL300012069603	0	50	0.0	-44.89	397.61	6.50	-38.39
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012069604	0	45	0.0	-43.88	376.75	3.50	-40.38
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012069605	0	42	0.0	-41.18	373.70	4.81	-36.37
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069606	0	49	0.0	-46.97	396.93	5.74	-41.23
CC1=CC=C(F)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069607	0	42	0.0	-46.49	345.69	5.96	-40.53
CC1=CC=C(F)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069608	0	42	0.0	-45.74	338.84	5.84	-39.90
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012069609	0	42	0.0	-49.31	373.14	6.52	-42.79
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(Br)=C1	REAL300012069610	0	42	0.0	-36.17	357.46	6.44	-29.73
CC1=NC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069611	0	41	0.0	-45.58	326.44	3.75	-41.83
CC(C)COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069612	0	52	0.0	-46.73	410.31	6.71	-40.02
COCCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069613	0	50	0.0	-50.24	405.16	4.57	-45.67
CC1(C)CCCC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C1	REAL300012069614	0	51	0.0	-46.20	372.33	6.20	-40.00
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012069615	0	43	0.0	-50.58	374.72	5.33	-45.25
CC1=CCCC(C)C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069616	0	49	0.0	-39.17	358.31	6.38	-32.79
COC1=CC2=C(C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-])OCO2	REAL300012069617	0	46	0.0	-46.63	373.95	3.05	-43.58
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012069618	0	44	0.0	-42.17	349.46	5.24	-36.93
CC(C)COC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069619	0	52	0.0	-49.49	413.45	6.83	-42.66
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069620	0	42	0.0	-46.51	348.28	6.10	-40.41
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012069621	0	43	0.0	-50.23	355.56	6.53	-43.70
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012069622	0	38	0.0	-48.56	331.90	3.90	-44.66
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012069623	0	38	0.0	-48.79	334.28	3.98	-44.81
CN1N=NC2=CC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CC=C21	REAL300012069624	0	44	0.0	-52.03	363.41	3.65	-48.38
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1CCCCCC1	REAL300012069625	0	48	0.0	-42.62	349.15	5.74	-36.88
CC1(C)CC2=CC=CC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=C2O1	REAL300012069626	0	50	0.0	-37.24	394.91	6.35	-30.89
COC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012069627	0	42	0.0	-43.43	347.25	1.74	-41.69
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012069628	0	49	0.0	-43.82	394.65	6.48	-37.34
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012069629	0	46	0.0	-56.44	377.85	6.40	-50.04
CC(C)N1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=N1	REAL300012069630	0	45	0.0	-47.27	362.47	4.40	-42.87
CC1=C(Br)SC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069631	0	39	0.0	-47.19	351.26	5.66	-41.53
CC1=NC2=CC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])C=C2C=C1	REAL300012069632	0	47	0.0	-54.07	382.13	6.17	-47.90
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012069633	0	41	0.0	-41.78	336.55	4.09	-37.69
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012069634	0	48	0.0	-57.39	388.36	8.66	-48.73
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012069635	0	42	0.0	-46.24	351.52	5.59	-40.65
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012069636	0	46	0.0	-50.55	381.72	5.53	-45.02
COCC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069637	0	46	0.0	-47.53	374.49	4.93	-42.60
CCCCOC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069638	0	52	0.0	-38.51	412.76	7.10	-31.41
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012069639	0	49	0.0	-42.31	396.74	6.09	-36.22
COC1=CC(C)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OC	REAL300012069640	0	50	0.0	-48.14	393.85	4.97	-43.17
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069641	0	45	0.0	-43.64	383.28	5.94	-37.70
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012069642	0	43	0.0	-42.62	366.14	4.03	-38.59
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012069643	0	49	0.0	-54.68	408.31	6.77	-47.91
CC1CCC2=C(C1)SC(C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-])=N2	REAL300012069644	0	48	0.0	-48.04	386.61	5.36	-42.68
CC(C)(C)C1CCC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])CC1	REAL300012069645	0	57	0.0	-47.65	401.34	7.09	-40.56
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C(C)O1	REAL300012069646	0	42	0.0	-41.73	341.40	4.65	-37.08
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012069647	0	50	0.0	-47.62	400.68	6.84	-40.78
COC1=CC(Cl)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1Cl	REAL300012069648	0	43	0.0	-39.59	375.80	5.45	-34.14
CC(C)CC1=NC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069649	0	47	0.0	-46.79	385.95	5.34	-41.45
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012069650	0	42	0.0	-47.37	376.66	5.33	-42.04
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012069651	0	42	0.0	-46.54	375.92	5.20	-41.34
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])S2)O1	REAL300012069652	0	45	0.0	-48.73	388.15	5.12	-43.61
CC1=CC(Br)=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069653	0	42	0.0	-46.46	352.84	6.21	-40.25
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012069654	0	46	0.0	-43.39	380.54	5.08	-38.31
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012069655	0	48	0.0	-42.99	394.71	6.91	-36.08
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012069656	0	42	0.0	-43.60	364.61	6.05	-37.55
COCCOC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069657	0	50	0.0	-38.89	401.23	4.69	-34.20
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012069658	0	42	0.0	-49.15	347.85	4.17	-44.98
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012069659	0	46	0.0	-37.67	383.43	5.56	-32.11
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069660	0	43	0.0	-47.83	347.61	4.46	-43.37
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012069661	0	46	0.0	-46.48	386.71	7.03	-39.45
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])O1	REAL300012069662	0	39	0.0	-41.98	322.46	3.99	-37.99
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069663	0	47	0.0	-44.17	386.64	4.82	-39.35
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012069664	0	45	0.0	-48.48	363.93	4.36	-44.12
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012069665	0	39	0.0	-47.50	341.09	5.66	-41.84
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012069666	0	39	0.0	-47.45	336.53	5.55	-41.90
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012069667	0	46	0.0	-49.73	379.32	6.32	-43.41
CC(C)(C)N1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=N1	REAL300012069668	0	48	0.0	-46.45	380.87	4.98	-41.47
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC(C)=C1	REAL300012069669	0	45	0.0	-45.74	360.92	6.49	-39.25
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(CO)O1	REAL300012069670	0	40	0.0	-49.17	331.68	0.77	-48.40
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CS1	REAL300012069671	0	36	0.0	-46.87	308.33	4.27	-42.60
CC(=O)NC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069672	0	46	0.0	-50.24	373.41	3.88	-46.36
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012069673	0	39	0.0	-43.99	330.40	5.69	-38.30
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012069674	0	41	0.0	-58.00	348.01	5.71	-52.29
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012069675	0	41	0.0	-55.59	345.56	5.66	-49.93
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012069676	0	45	0.0	-42.68	360.75	7.36	-35.32
CN(C)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069677	0	47	0.0	-47.51	372.70	5.49	-42.02
CCN(CC)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069678	0	53	0.0	-45.81	413.23	7.47	-38.34
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012069679	0	39	0.0	-47.83	338.64	5.61	-42.22
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012069680	0	39	0.0	-47.85	334.08	5.51	-42.34
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC(OC)=C1OC	REAL300012069681	0	51	0.0	-47.82	412.10	4.38	-43.44
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012069682	0	39	0.0	-40.06	336.96	5.59	-34.47
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012069683	0	39	0.0	-49.98	326.59	5.14	-44.84
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012069684	0	43	0.0	-42.54	357.66	4.86	-37.68
COC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1OC	REAL300012069685	0	47	0.0	-39.71	378.55	4.49	-35.22
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012069686	0	39	0.0	-45.63	347.13	6.20	-39.43
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012069687	0	52	0.0	-49.37	404.19	3.90	-45.47
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OC	REAL300012069688	0	47	0.0	-50.57	378.18	4.40	-46.17
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(OC)=C1	REAL300012069689	0	47	0.0	-40.34	377.37	3.88	-36.46
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012069690	0	42	0.0	-50.78	358.16	6.21	-44.57
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012069691	0	39	0.0	-48.62	328.53	5.27	-43.35
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012069692	0	39	0.0	-37.23	346.33	6.09	-31.14
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012069693	0	39	0.0	-47.98	350.02	6.13	-41.85
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1CC=CCC1	REAL300012069694	0	43	0.0	-46.72	331.01	5.27	-41.45
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012069695	0	43	0.0	-52.12	359.44	4.65	-47.47
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012069696	0	42	0.0	-46.80	346.10	6.21	-40.59
CCCCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069697	0	52	0.0	-46.93	411.70	6.79	-40.14
CC(C)CCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069698	0	55	0.0	-48.10	432.11	7.40	-40.70
CCCCCCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069699	0	58	0.0	-48.12	457.53	8.44	-39.68
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012069700	0	50	0.0	-50.50	408.84	7.90	-42.60
COC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069701	0	43	0.0	-48.68	347.15	4.33	-44.35
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069702	0	46	0.0	-47.79	367.62	6.98	-40.81
CCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OC	REAL300012069703	0	50	0.0	-50.42	400.03	5.32	-45.10
CC(C)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069704	0	48	0.0	-45.61	377.57	6.92	-38.69
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012069705	0	42	0.0	-48.58	355.69	5.96	-42.62
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(OC)=C1OC	REAL300012069706	0	51	0.0	-41.32	412.22	4.50	-36.82
CCOC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069707	0	46	0.0	-38.60	369.76	5.51	-33.09
CCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069708	0	46	0.0	-47.10	368.70	5.21	-41.89
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1F	REAL300012069709	0	39	0.0	-47.26	324.28	5.28	-41.98
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012069710	0	39	0.0	-47.34	323.36	5.04	-42.30
COC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069711	0	43	0.0	-38.41	345.70	4.53	-33.88
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])SC=C1	REAL300012069712	0	39	0.0	-43.86	328.47	4.91	-38.95
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012069713	0	49	0.0	-47.91	391.56	8.40	-39.51
CC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069714	0	42	0.0	-43.25	335.22	5.80	-37.45
COC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012069715	0	49	0.0	-44.13	388.03	6.51	-37.62
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069716	0	42	0.0	-46.61	340.83	5.88	-40.73
N#CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069717	0	40	0.0	-52.99	338.20	5.38	-47.61
CSC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069718	0	43	0.0	-48.05	359.64	6.23	-41.82
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012069719	0	39	0.0	-40.18	344.15	5.80	-34.38
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069720	0	51	0.0	-47.43	406.60	3.60	-43.83
CC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069721	0	42	0.0	-44.03	341.20	5.71	-38.32
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC=C1	REAL300012069722	0	36	0.0	-46.39	310.46	4.05	-42.34
CCC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069723	0	45	0.0	-45.72	360.23	6.43	-39.29
CC1=CC(C)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=C1	REAL300012069724	0	48	0.0	-42.59	370.23	6.65	-35.94
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012069725	0	39	0.0	-44.67	330.05	5.26	-39.41
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012069726	0	39	0.0	-50.50	332.14	5.33	-45.17
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069727	0	39	0.0	-44.82	331.87	5.14	-39.68
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1Br	REAL300012069728	0	39	0.0	-43.01	332.26	5.77	-37.24
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1O	REAL300012069729	0	44	0.0	-47.63	357.91	2.17	-45.46
CC1=NN(C)C(C)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069730	0	45	0.0	-50.60	360.29	3.95	-46.65
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069731	0	42	0.0	-47.39	358.64	3.74	-43.65
CCC1=NN(C)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069732	0	45	0.0	-44.41	361.55	4.28	-40.13
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012069733	0	42	0.0	-54.64	359.87	4.20	-50.44
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012069734	0	51	0.0	-46.79	386.45	5.00	-41.79
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Cl)O1	REAL300012069735	0	36	0.0	-40.59	314.77	3.72	-36.87
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069736	0	51	0.0	-52.88	413.60	7.06	-45.82
CCOC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1OC	REAL300012069737	0	50	0.0	-38.85	399.02	5.38	-33.47
C#CCOC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069738	0	45	0.0	-38.06	373.39	5.98	-32.08
CC1=NOC(C)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069739	0	41	0.0	-42.94	337.32	4.05	-38.89
CC1=NC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CS1	REAL300012069740	0	38	0.0	-42.27	326.62	2.77	-39.50
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC2=C1OCO2	REAL300012069741	0	46	0.0	-51.61	376.07	3.05	-48.56
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012069742	0	45	0.0	-46.27	374.49	4.85	-41.42
COC1=CC2=C(C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-])OC(C)C2	REAL300012069743	0	51	0.0	-41.94	402.77	5.11	-36.83
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=N1	REAL300012069744	0	39	0.0	-47.65	320.92	2.97	-44.68
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CS1	REAL300012069745	0	48	0.0	-45.61	397.71	4.87	-40.74
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1C	REAL300012069746	0	46	0.0	-48.10	369.00	5.25	-42.85
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069747	0	48	0.0	-42.11	368.33	3.99	-38.12
COC1=CC=CC(OC)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069748	0	47	0.0	-42.99	375.74	3.93	-39.06
CN1C=CN=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069749	0	39	0.0	-39.15	318.10	3.55	-35.60
COC1=CC=C(F)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069750	0	43	0.0	-45.93	353.76	4.57	-41.36
CSC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069751	0	40	0.0	-42.69	353.31	5.36	-37.33
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069752	0	52	0.0	-35.41	407.60	8.98	-26.43
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012069753	0	42	0.0	-39.41	343.62	3.81	-35.60
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012069754	0	36	0.0	-38.89	325.27	4.78	-34.11
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069755	0	45	0.0	-56.51	380.88	2.59	-53.92
COC1=CC=C(F)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069756	0	43	0.0	-41.80	352.98	4.62	-37.18
NC(=O)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069757	0	43	0.0	-53.30	354.72	1.85	-51.45
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1F	REAL300012069758	0	43	0.0	-52.13	355.16	4.57	-47.56
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069759	0	43	0.0	-40.94	363.31	5.06	-35.88
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=CS1	REAL300012069760	0	35	0.0	-44.02	301.71	2.21	-41.81
CN1C=NC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069761	0	39	0.0	-43.76	318.59	4.33	-39.43
COC(=O)C1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CN1C	REAL300012069762	0	46	0.0	-51.64	377.44	5.38	-46.26
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1Cl	REAL300012069763	0	42	0.0	-49.63	353.57	6.26	-43.37
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1C	REAL300012069764	0	46	0.0	-48.39	370.06	5.15	-43.24
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC=N1	REAL300012069765	0	35	0.0	-47.35	303.06	2.20	-45.15
CC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1F	REAL300012069766	0	42	0.0	-38.72	345.64	5.89	-32.83
N#CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(F)=C1	REAL300012069767	0	40	0.0	-44.81	346.15	5.64	-39.17
CC1=NNC(C)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069768	0	42	0.0	-42.14	340.68	2.81	-39.33
CC1=NNC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069769	0	39	0.0	-45.49	319.27	2.29	-43.20
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=NN1	REAL300012069769	1	39	0.0	-48.50	318.77	2.29	-46.21
CN1N=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069770	0	39	0.0	-45.62	320.38	2.82	-42.80
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012069771	0	38	0.0	-40.17	336.09	3.81	-36.36
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012069772	0	48	0.0	-44.67	390.64	2.29	-42.38
C#CCCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069773	0	48	0.0	-48.32	395.98	6.54	-41.78
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012069774	0	42	0.0	-44.27	347.03	5.57	-38.70
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])C=C12	REAL300012069775	0	47	0.0	-53.35	384.38	4.89	-48.46
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012069776	0	42	0.0	-47.50	354.90	4.42	-43.08
CCC1=NC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CS1	REAL300012069777	0	41	0.0	-37.88	345.01	3.45	-34.43
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012069778	0	42	0.0	-39.64	360.65	5.98	-33.66
CC1=NN(C)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069779	0	42	0.0	-49.50	338.93	3.36	-46.14
CCOCC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1OC	REAL300012069780	0	53	0.0	-45.65	424.08	5.32	-40.33
CCN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=N1	REAL300012069781	0	42	0.0	-52.18	344.83	3.77	-48.41
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N=N1	REAL300012069782	0	38	0.0	-45.58	316.86	1.56	-44.02
NC(=O)C1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069783	0	43	0.0	-55.34	351.50	1.74	-53.60
CN1C=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012069784	0	39	0.0	-40.49	319.83	2.69	-37.80
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012069785	0	42	0.0	-45.85	357.26	4.56	-41.29
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1CCCCCCC1	REAL300012069786	0	51	0.0	-44.60	363.30	6.29	-38.31
CC1=CSC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012069787	0	38	0.0	-50.13	326.64	2.80	-47.33
COC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1F	REAL300012069788	0	43	0.0	-39.43	353.32	4.52	-34.91
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012069789	0	39	0.0	-39.32	340.99	5.66	-33.66
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012069790	0	46	0.0	-42.72	365.73	7.17	-35.55
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC=C1Br	REAL300012069791	0	36	0.0	-36.22	326.74	4.71	-31.51
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069792	0	52	0.0	-37.83	407.16	6.87	-30.96
CCN1N=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069793	0	42	0.0	-43.39	336.15	3.73	-39.66
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012069794	1	45	0.0	-49.49	368.58	4.81	-44.68
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012069795	0	39	0.0	-47.84	345.39	5.71	-42.13
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012069796	0	44	0.0	-51.39	360.43	5.68	-45.71
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012069797	0	39	0.0	-36.85	340.44	5.78	-31.07
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])SC=N1	REAL300012069798	0	38	0.0	-42.34	318.92	2.68	-39.66
COC1=CC(F)=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069799	0	43	0.0	-44.05	353.96	4.55	-39.50
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012069800	0	39	0.0	-39.08	344.61	5.83	-33.25
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=N1	REAL300012069801	0	49	0.0	-50.73	391.06	5.16	-45.57
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=CS1	REAL300012069802	0	39	0.0	-40.15	321.50	4.62	-35.53
CS(=O)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069803	0	44	0.0	-53.31	370.32	3.76	-49.55
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012069804	0	49	0.0	-42.08	382.89	7.75	-34.33
N#CC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012069805	0	39	0.0	-46.44	336.00	3.54	-42.90
COC(=O)C1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CN1	REAL300012069806	0	43	0.0	-55.65	361.45	3.47	-52.18
COCC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])O1	REAL300012069807	0	43	0.0	-49.17	356.09	3.25	-45.92
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=C1OC	REAL300012069808	0	50	0.0	-44.84	392.19	5.08	-39.76
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012069809	0	36	0.0	-47.18	340.77	5.03	-42.15
CC1=NC(F)=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069810	0	41	0.0	-46.37	333.96	3.90	-42.47
COC1=CC(C)=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069811	0	46	0.0	-39.17	369.31	5.25	-33.92
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CS1	REAL300012069812	0	39	0.0	-46.15	331.29	4.95	-41.20
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N=N1	REAL300012069813	0	40	0.0	-43.00	328.74	2.70	-40.30
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012069814	0	38	0.0	-50.87	346.16	3.49	-47.38
CN1N=NC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069815	0	38	0.0	-48.64	314.51	1.61	-47.03
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069816	0	45	0.0	-55.08	380.49	2.55	-52.53
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012069817	0	36	0.0	-44.45	326.87	4.85	-39.60
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012069818	0	52	0.0	-45.55	401.52	8.20	-37.35
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N(C)N=C1	REAL300012069819	0	42	0.0	-46.47	340.67	3.41	-43.06
CC1=CC(Cl)=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069820	0	42	0.0	-43.65	356.17	6.35	-37.30
COCC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069821	0	46	0.0	-48.76	374.49	4.94	-43.82
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012069822	0	46	0.0	-47.00	374.83	6.68	-40.32
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012069823	0	46	0.0	-46.05	366.57	7.09	-38.96
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012069824	0	35	0.0	-40.38	320.29	2.94	-37.44
C=CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=N1	REAL300012069825	0	40	0.0	-49.15	335.09	4.11	-45.04
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012069826	0	49	0.0	-43.15	381.77	5.59	-37.56
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069827	0	49	0.0	-40.46	393.60	6.87	-33.59
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012069828	0	42	0.0	-48.89	350.29	6.03	-42.86
COC1=CC(C)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=N1	REAL300012069829	0	48	0.0	-46.50	381.18	2.85	-43.65
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069830	0	43	0.0	-38.90	362.40	5.03	-33.87
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069831	0	49	0.0	-42.67	381.38	5.77	-36.90
CC1=NC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012069832	0	49	0.0	-43.49	398.79	7.52	-35.97
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=NN1C	REAL300012069833	0	42	0.0	-46.48	339.42	3.33	-43.15
CCCN1N=C(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1C	REAL300012069834	0	51	0.0	-44.79	404.37	5.63	-39.16
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012069835	0	44	0.0	-51.12	361.42	4.86	-46.26
COCCN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=N1	REAL300012069836	0	46	0.0	-48.71	378.50	2.82	-45.89
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012069837	0	49	0.0	-46.85	385.94	7.66	-39.19
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012069838	0	49	0.0	-47.57	392.13	6.63	-40.94
CCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1F	REAL300012069839	0	46	0.0	-48.80	375.69	5.46	-43.34
COC1=CC=CC2=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])C=CC=C12	REAL300012069840	0	49	0.0	-43.64	386.95	6.65	-36.99
N#CC1=CSC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069841	0	37	0.0	-48.77	329.70	4.72	-44.05
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1C#N	REAL300012069842	0	44	0.0	-56.88	369.14	4.92	-51.96
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069843	0	49	0.0	-43.84	391.66	6.97	-36.87
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012069844	0	38	0.0	-42.01	343.79	3.50	-38.51
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1C#N	REAL300012069845	0	43	0.0	-53.79	358.12	6.06	-47.73
CC1=CN=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069846	0	38	0.0	-40.16	326.47	3.15	-37.01
CC(C)CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=N1	REAL300012069847	0	48	0.0	-50.23	383.30	5.23	-45.00
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012069848	0	46	0.0	-45.01	359.22	6.95	-38.06
CC1=CC(Br)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069849	0	39	0.0	-37.12	349.17	5.59	-31.53
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069850	0	54	0.0	-51.70	426.66	7.68	-44.02
CCC1=CN=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069851	1	41	0.0	-40.01	347.95	3.95	-36.06
CN1C(=O)CCC2=CC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CC=C21	REAL300012069852	0	50	0.0	-48.45	394.74	6.11	-42.34
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069853	0	46	0.0	-42.38	379.06	5.54	-36.84
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012069854	0	45	0.0	-48.22	389.30	6.50	-41.72
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069855	0	48	0.0	-49.77	382.70	4.85	-44.92
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012069856	0	48	0.0	-46.74	390.02	5.79	-40.95
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012069857	0	42	0.0	-44.47	355.52	4.79	-39.68
CC(C)C1=NC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069858	0	44	0.0	-47.38	368.40	4.52	-42.86
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012069859	0	42	0.0	-48.75	366.24	4.30	-44.45
CN1C=C(C2=CC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])C=C2)C=N1	REAL300012069860	0	49	0.0	-50.39	397.47	6.29	-44.10
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012069861	0	42	0.0	-50.91	354.98	3.99	-46.92
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012069862	0	49	0.0	-43.63	397.57	6.44	-37.19
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N1	REAL300012069863	0	47	0.0	-58.37	376.34	3.39	-54.98
NC(=O)C1=CSC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069864	0	40	0.0	-47.69	346.10	1.09	-46.60
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069865	0	51	0.0	-44.63	401.18	5.18	-39.45
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012069866	0	45	0.0	-44.45	373.00	5.30	-39.15
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012069867	0	46	0.0	-46.59	383.51	3.45	-43.14
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N=N1	REAL300012069868	0	48	0.0	-54.41	393.81	5.95	-48.46
CN1N=C(Br)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069869	0	39	0.0	-53.02	342.42	3.15	-49.87
CN1C=C(C2=CC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])S2)C=N1	REAL300012069870	0	46	0.0	-48.09	391.56	5.84	-42.25
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012069871	0	51	0.0	-44.90	397.11	6.07	-38.83
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069872	0	46	0.0	-38.24	385.07	6.04	-32.20
CCC1=CC=CC(F)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069873	0	45	0.0	-42.90	360.53	6.51	-36.39
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012069874	0	39	0.0	-49.99	351.37	6.20	-43.79
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012069875	0	39	0.0	-41.24	332.43	2.82	-38.42
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069876	0	50	0.0	-44.68	404.52	5.60	-39.08
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012069877	0	43	0.0	-39.55	368.02	5.05	-34.50
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012069878	0	46	0.0	-46.04	381.18	6.16	-39.88
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012069879	0	52	0.0	-45.70	412.47	6.93	-38.77
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012069880	0	52	0.0	-35.98	413.21	6.71	-29.27
CC(C)C1=CN=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069881	1	44	0.0	-39.16	366.58	4.49	-34.67
CC(C)(C)C1=CN=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069882	1	47	0.0	-48.80	386.39	4.85	-43.95
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012069883	0	42	0.0	-45.08	350.71	4.37	-40.71
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012069884	0	45	0.0	-38.48	378.32	8.59	-29.89
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069885	0	49	0.0	-46.79	397.81	5.74	-41.05
COCCCN1N=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069886	0	49	0.0	-43.60	391.33	3.55	-40.05
CC1=CC(F)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(Cl)=C1	REAL300012069887	0	42	0.0	-43.95	360.82	6.17	-37.78
COCCOCC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069888	0	53	0.0	-50.96	429.97	5.17	-45.79
CSCC1=CN=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069889	0	42	0.0	-41.40	369.86	4.36	-37.04
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012069890	0	39	0.0	-34.66	337.05	5.13	-29.53
CCN1N=C(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012069891	0	44	0.0	-47.89	356.11	2.56	-45.33
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012069892	0	46	0.0	-45.83	367.32	7.26	-38.57
CC1=NN(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069893	0	42	0.0	-50.76	342.64	3.23	-47.53
N#CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1F	REAL300012069894	0	40	0.0	-54.65	344.86	5.60	-49.05
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012069895	0	42	0.0	-50.84	360.09	4.21	-46.63
CC1=CC(F)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(F)=C1	REAL300012069896	0	42	0.0	-45.07	352.21	5.79	-39.28
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])O1	REAL300012069897	0	49	0.0	-39.75	394.51	5.23	-34.52
CC(C)CN1N=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069898	0	48	0.0	-43.51	381.66	5.20	-38.31
COC(=O)C1=C(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CN1	REAL300012069899	0	46	0.0	-51.78	373.87	3.97	-47.81
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069900	0	49	0.0	-49.66	402.60	7.18	-42.48
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069901	0	52	0.0	-49.87	416.28	7.46	-42.41
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069902	0	49	0.0	-50.25	393.97	6.94	-43.31
CC(C)C1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069903	0	48	0.0	-44.49	370.08	6.76	-37.73
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012069904	0	46	0.0	-42.64	361.82	4.34	-38.30
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012069905	0	45	0.0	-44.35	367.25	4.61	-39.74
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012069906	0	41	0.0	-43.74	339.57	3.77	-39.97
COC1=CC(OC)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1F	REAL300012069907	0	47	0.0	-46.43	383.61	3.77	-42.66
COC1=CC(F)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OC	REAL300012069908	0	47	0.0	-48.55	380.82	4.41	-44.14
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(Cl)=C1	REAL300012069909	0	42	0.0	-36.96	353.87	6.34	-30.62
CCC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069910	0	45	0.0	-46.23	362.31	6.64	-39.59
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069911	0	52	0.0	-46.44	417.55	7.62	-38.82
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(F)=C1	REAL300012069912	0	43	0.0	-40.07	354.82	4.54	-35.53
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012069913	0	46	0.0	-45.40	362.69	6.95	-38.45
COC1=CC=CC(F)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069914	0	43	0.0	-41.68	353.66	4.65	-37.03
CCCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=C1	REAL300012069915	0	52	0.0	-45.27	401.12	6.50	-38.77
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012069916	0	41	0.0	-49.08	349.73	4.90	-44.18
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012069917	0	43	0.0	-43.71	343.43	3.57	-40.14
CCC1=C2OC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CC2=CC=C1	REAL300012069918	0	48	0.0	-41.53	387.74	6.92	-34.61
C=CCCN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N=N1	REAL300012069919	0	45	0.0	-54.70	370.98	3.86	-50.84
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012069920	0	46	0.0	-41.28	355.76	4.93	-36.35
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012069921	0	47	0.0	-51.29	382.88	5.98	-45.31
CCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=C1	REAL300012069922	0	49	0.0	-43.91	385.94	6.06	-37.85
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012069923	0	43	0.0	-42.89	364.10	4.93	-37.96
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012069924	0	43	0.0	-44.57	362.74	4.90	-39.67
COC1=NC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069925	0	42	0.0	-39.02	343.44	1.91	-37.11
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012069926	0	52	0.0	-46.61	404.72	8.31	-38.30
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=N1	REAL300012069927	0	49	0.0	-40.56	402.85	4.23	-36.33
COCC1=CSC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069928	0	43	0.0	-45.68	365.28	4.07	-41.61
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012069929	0	45	0.0	-54.52	361.95	3.70	-50.82
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012069930	0	39	0.0	-44.16	350.82	5.40	-38.76
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012069931	0	39	0.0	-42.95	341.72	4.40	-38.55
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012069932	0	39	0.0	-48.23	342.67	5.27	-42.96
CN(C)C1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=CC(F)=C1F	REAL300012069933	0	47	0.0	-49.43	379.45	5.10	-44.33
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012069934	0	39	0.0	-44.05	345.70	5.59	-38.46
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012069935	0	51	0.0	-51.91	405.59	4.71	-47.20
CN(C)C1=CC(F)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1F	REAL300012069936	0	47	0.0	-41.41	384.06	4.71	-36.70
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069937	0	53	0.0	-45.77	420.19	6.93	-38.84
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012069938	0	39	0.0	-54.52	334.66	5.34	-49.18
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012069939	0	46	0.0	-50.41	388.74	5.41	-45.00
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OC1CC1	REAL300012069940	0	51	0.0	-50.94	407.89	6.03	-44.91
CCCN1N=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069941	0	45	0.0	-42.97	357.65	4.48	-38.49
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069942	0	42	0.0	-53.82	359.25	3.55	-50.27
COCC(C)OC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012069943	0	53	0.0	-51.65	422.28	5.30	-46.35
CCCC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069944	0	45	0.0	-43.88	375.14	6.53	-37.35
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012069945	0	46	0.0	-48.47	387.55	7.69	-40.78
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012069946	0	52	0.0	-43.41	412.41	7.38	-36.03
CC(C)C1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069947	0	48	0.0	-42.65	377.18	6.89	-35.76
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(Cl)=N1	REAL300012069948	0	39	0.0	-50.84	339.25	3.45	-47.39
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012069949	0	55	0.0	-46.83	418.78	7.15	-39.68
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012069950	0	52	0.0	-46.47	411.54	8.61	-37.86
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=NC=C1Br	REAL300012069951	0	41	0.0	-42.67	354.87	4.41	-38.26
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012069952	0	40	0.0	-38.65	345.80	2.88	-35.77
CN1C=C(C2=NC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CS2)C=N1	REAL300012069953	0	45	0.0	-45.83	389.57	3.65	-42.18
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1Cl	REAL300012069954	0	43	0.0	-50.77	364.96	5.05	-45.72
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012069955	0	49	0.0	-43.07	387.37	5.68	-37.39
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012069956	0	45	0.0	-45.76	379.44	4.97	-40.79
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012069957	0	45	0.0	-43.34	366.89	6.72	-36.62
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(Br)=N1	REAL300012069958	0	39	0.0	-49.61	343.29	3.52	-46.09
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(F)=C1	REAL300012069959	0	42	0.0	-38.70	346.74	5.93	-32.77
CC(=O)NC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069960	0	46	0.0	-49.11	373.08	3.88	-45.23
CN1N=CC2=CC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CN=C21	REAL300012069961	0	44	0.0	-53.09	362.41	4.29	-48.80
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012069962	0	38	0.0	-40.93	338.61	3.77	-37.16
COC1=CC(Cl)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OC	REAL300012069963	0	47	0.0	-46.54	389.04	4.89	-41.65
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012069964	0	45	0.0	-50.11	381.17	6.85	-43.26
CN1N=C2CCCCC2=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069965	0	49	0.0	-45.86	382.64	5.19	-40.67
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C(C)N1	REAL300012069966	0	52	0.0	-44.80	417.68	5.38	-39.42
CC1=C(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CS1	REAL300012069967	0	42	0.0	-41.95	344.17	5.31	-36.64
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012069968	0	38	0.0	-53.47	335.70	3.85	-49.62
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(Br)SC=C1	REAL300012069969	0	36	0.0	-42.87	327.47	4.88	-37.99
CCOC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C(F)C=C1OC	REAL300012069970	0	50	0.0	-51.35	403.22	5.33	-46.02
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012069971	0	45	0.0	-45.74	362.98	7.13	-38.61
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CN=C1Br	REAL300012069972	0	38	0.0	-47.63	327.44	3.87	-43.76
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012069973	0	43	0.0	-38.68	369.52	5.12	-33.56
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069974	0	49	0.0	-40.88	394.07	6.21	-34.67
CCOC1=CC(F)=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069975	0	46	0.0	-48.85	378.28	5.41	-43.44
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012069976	0	53	0.0	-52.10	413.30	6.00	-46.10
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012069977	0	43	0.0	-41.61	363.25	4.78	-36.83
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012069978	0	52	0.0	-45.87	397.56	6.13	-39.74
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069979	0	42	0.0	-42.41	348.62	6.28	-36.13
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C(F)C=C1C	REAL300012069980	0	46	0.0	-46.23	371.67	5.24	-40.99
CC1=CC=NC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1Br	REAL300012069981	0	41	0.0	-41.85	350.14	4.28	-37.57
CC(C)(C)C1=CSC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012069982	1	47	0.0	-48.50	382.81	4.72	-43.78
COCCC1=NC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069983	0	45	0.0	-46.64	381.62	3.00	-43.64
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012069984	1	40	0.0	-43.37	339.86	2.50	-40.87
CN1N=C2CCSCC2=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069985	0	47	0.0	-47.79	383.62	4.71	-43.08
CCN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012069986	0	52	0.0	-48.72	406.90	6.96	-41.76
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012069987	0	47	0.0	-45.74	366.29	5.04	-40.70
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1C	REAL300012069988	0	55	0.0	-44.80	417.17	6.14	-38.66
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012069989	0	41	0.0	-59.82	348.24	5.66	-54.16
CC1=C(Br)C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012069990	0	39	0.0	-43.01	350.19	5.66	-37.35
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012069991	0	44	0.0	-45.45	348.89	5.11	-40.34
CCCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1C	REAL300012069992	0	52	0.0	-48.35	413.41	6.88	-41.47
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012069993	0	43	0.0	-50.40	354.15	3.58	-46.82
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069994	0	46	0.0	-40.16	375.52	5.57	-34.59
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012069995	0	44	0.0	-46.90	356.07	6.29	-40.61
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012069996	0	47	0.0	-48.57	379.61	6.77	-41.80
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(F)=C1OC	REAL300012069997	0	47	0.0	-43.85	387.47	4.53	-39.32
COC(=O)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(F)=C1	REAL300012069998	0	45	0.0	-53.46	376.87	5.87	-47.59
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012069999	0	49	0.0	-52.27	404.21	5.41	-46.86
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012070000	0	46	0.0	-38.80	380.17	5.75	-33.05
CC1=COC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070001	0	39	0.0	-48.50	322.08	4.02	-44.48
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012070002	0	38	0.0	-40.27	331.52	3.70	-36.57
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070003	0	46	0.0	-49.86	374.06	6.51	-43.35
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012070005	0	42	0.0	-53.05	351.42	3.91	-49.14
CCCC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012070007	0	48	0.0	-46.55	383.81	7.43	-39.12
CC1=C2C=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])C=NC2=NN1	REAL300012070008	0	44	0.0	-55.17	363.55	3.62	-51.55
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC=CS1	REAL300012070009	0	35	0.0	-41.86	302.89	2.31	-39.55
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070010	0	47	0.0	-53.18	393.38	1.76	-51.42
CN1N=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C2=CC=CC=C21	REAL300012070011	0	45	0.0	-50.26	367.17	4.92	-45.34
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012070012	0	42	0.0	-48.85	344.50	3.76	-45.09
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012070012	1	42	0.0	-41.51	346.88	3.67	-37.84
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070013	0	39	0.0	-50.25	351.89	4.48	-45.77
CCC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012070014	0	42	0.0	-44.02	353.68	5.77	-38.25
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012070015	0	44	0.0	-50.72	357.82	5.36	-45.36
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012070016	0	45	0.0	-48.29	364.09	6.12	-42.17
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070017	0	59	0.0	-46.20	439.89	7.25	-38.95
CCC1=NC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012070018	0	41	0.0	-47.62	347.61	3.91	-43.71
COC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])SC=C1	REAL300012070019	0	40	0.0	-46.11	340.21	3.49	-42.62
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012070020	0	45	0.0	-51.22	375.95	3.47	-47.75
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC=C1Cl	REAL300012070021	0	36	0.0	-37.00	323.09	4.59	-32.41
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012070022	0	44	0.0	-42.67	375.00	4.42	-38.25
CCCC(C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-])C1=CC=CC=C1	REAL300012070023	0	51	0.0	-44.88	395.08	7.90	-36.98
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012070024	0	44	0.0	-39.18	373.52	6.15	-33.03
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1CC2CCC1C2	REAL300012070025	0	46	0.0	-44.10	344.43	5.86	-38.24
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)N=C1	REAL300012070026	0	38	0.0	-49.75	321.45	3.42	-46.33
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012070027	0	39	0.0	-49.54	350.63	5.54	-44.00
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1(C(F)F)CC1	REAL300012070028	0	39	0.0	-46.05	317.76	4.71	-41.34
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])NN=C1	REAL300012070029	0	39	0.0	-46.56	318.79	2.27	-44.29
CC1=CNN=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070029	1	39	0.0	-47.05	319.25	2.22	-44.83
CC1=CN=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N1C	REAL300012070030	0	42	0.0	-40.71	336.46	3.81	-36.90
CC(C)C1CCC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])CC1	REAL300012070031	0	54	0.0	-46.59	384.32	6.69	-39.90
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070032	0	53	0.0	-49.99	417.94	6.80	-43.19
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070033	0	49	0.0	-37.23	392.34	6.06	-31.17
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012070034	0	48	0.0	-49.08	393.68	6.94	-42.14
CCC1=NOC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070035	0	41	0.0	-44.62	332.97	4.02	-40.60
CN1N=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1Cl	REAL300012070036	0	39	0.0	-41.61	338.39	3.37	-38.24
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012070037	0	41	0.0	-47.70	342.71	2.54	-45.16
COC1=CC=C(N2C=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])C=N2)C=C1	REAL300012070038	0	50	0.0	-50.68	407.75	5.71	-44.97
CC1=CN=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070039	0	41	0.0	-44.82	327.77	4.00	-40.82
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012070040	0	41	0.0	-42.95	356.37	2.95	-40.00
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012070041	0	46	0.0	-43.71	367.23	7.29	-36.42
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NC=C1Br	REAL300012070042	0	38	0.0	-37.29	327.81	3.78	-33.51
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012070043	0	42	0.0	-55.35	372.86	1.91	-53.44
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012070044	0	45	0.0	-43.93	366.82	5.92	-38.01
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(F)=C1	REAL300012070045	0	44	0.0	-47.20	378.19	0.18	-47.02
CC(C)N1C=CN=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070047	0	45	0.0	-41.06	360.98	4.90	-36.16
CC1=C(Br)C=NC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070048	0	41	0.0	-43.18	341.70	4.20	-38.98
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070049	0	42	0.0	-50.78	356.75	3.83	-46.95
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070050	0	46	0.0	-45.87	369.16	4.83	-41.04
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070051	0	49	0.0	-46.06	386.85	5.37	-40.69
CC1=NC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N1C	REAL300012070052	0	42	0.0	-44.40	340.30	4.20	-40.20
CC1=C2C=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])NC2=CC=C1	REAL300012070053	0	46	0.0	-46.68	372.60	5.82	-40.86
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012070054	0	45	0.0	-46.35	366.28	4.20	-42.15
CC1=CC=C2C=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])NC2=C1	REAL300012070055	0	46	0.0	-46.22	371.70	5.79	-40.43
CC1=NC=CN=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070056	0	40	0.0	-47.48	323.93	1.78	-45.70
CCOC1=CN=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070057	0	45	0.0	-48.55	364.39	3.57	-44.98
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012070058	0	38	0.0	-39.33	327.05	3.75	-35.58
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012070059	0	50	0.0	-45.75	394.91	3.86	-41.89
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012070060	0	42	0.0	-52.23	345.88	3.93	-48.30
CCC(F)(F)C(C)(C)C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070061	0	47	0.0	-50.43	358.94	5.58	-44.85
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NC(F)=C1	REAL300012070062	0	38	0.0	-55.30	319.41	3.34	-51.96
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012070063	0	43	0.0	-45.08	351.56	5.28	-39.80
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012070064	0	42	0.0	-56.69	349.84	2.49	-54.20
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012070065	0	41	0.0	-46.40	347.45	4.26	-42.14
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070066	0	48	0.0	-45.45	391.60	5.65	-39.80
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012070067	0	49	0.0	-46.26	391.69	2.44	-43.82
COC1=CN=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1C	REAL300012070068	0	45	0.0	-45.68	358.30	3.39	-42.29
CC1=CC(C)=C(C=CC[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=C1	REAL300012070069	0	52	0.0	-47.87	408.13	8.29	-39.58
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012070070	0	49	0.0	-56.11	393.45	2.78	-53.33
CCCN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N=N1	REAL300012070071	0	44	0.0	-55.64	359.48	3.34	-52.30
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070072	0	47	0.0	-40.16	375.22	5.23	-34.93
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012070073	0	43	0.0	-39.91	351.17	5.69	-34.22
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012070074	0	44	0.0	-52.30	366.84	5.64	-46.66
CC1=CC(C)=C(C=CC[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1C	REAL300012070075	0	52	0.0	-44.51	407.11	8.28	-36.23
CC1=NSC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070076	0	38	0.0	-42.75	323.51	3.39	-39.36
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012070077	0	44	0.0	-56.27	372.29	0.12	-56.15
CCN1N=CN=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070078	0	41	0.0	-41.71	330.61	4.16	-37.55
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012070079	1	42	0.0	-42.78	345.68	2.28	-40.50
CCC1=CNC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012070080	0	42	0.0	-41.04	342.57	3.11	-37.93
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012070081	0	48	0.0	-36.51	368.46	5.43	-31.08
CC1=NN(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1Cl	REAL300012070082	0	42	0.0	-38.95	355.06	3.60	-35.35
CN1C=CC(C2=NC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CS2)=N1	REAL300012070083	0	45	0.0	-44.63	386.84	3.47	-41.16
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012070084	0	52	0.0	-45.29	408.09	6.13	-39.16
CC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1Br	REAL300012070085	0	42	0.0	-36.20	354.25	6.34	-29.86
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012070086	0	47	0.0	-48.12	373.13	5.83	-42.29
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070087	0	49	0.0	-57.12	388.92	4.71	-52.41
CCC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(Cl)=NN1	REAL300012070088	0	42	0.0	-39.49	350.61	3.18	-36.31
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012070089	0	43	0.0	-42.98	364.40	4.14	-38.84
CCC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=NO1	REAL300012070090	0	44	0.0	-44.03	356.80	4.76	-39.27
CCN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N=N1	REAL300012070091	0	41	0.0	-56.01	337.99	2.57	-53.44
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012070092	0	51	0.0	-46.34	392.34	6.41	-39.93
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012070093	0	54	0.0	-37.42	411.10	7.19	-30.23
CCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])O1	REAL300012070094	0	43	0.0	-44.38	352.84	4.50	-39.88
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012070095	0	38	0.0	-42.04	342.88	3.10	-38.94
CCN1C=NC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070096	0	42	0.0	-49.82	343.64	5.40	-44.42
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CN=C1F	REAL300012070097	0	41	0.0	-46.86	341.83	4.04	-42.82
CC1=CC(F)=NC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070098	0	41	0.0	-49.88	336.31	4.02	-45.86
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012070099	0	42	0.0	-50.51	356.85	5.98	-44.53
COC(=O)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1C	REAL300012070100	0	48	0.0	-51.51	388.51	6.23	-45.28
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=C1	REAL300012070101	0	46	0.0	-45.70	357.77	4.77	-40.93
CC1=C(Cl)C=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1Cl	REAL300012070102	0	42	0.0	-37.90	365.26	6.69	-31.21
CC1CC2=CC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CC=C2O1	REAL300012070103	0	47	0.0	-43.97	374.92	5.76	-38.21
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012070104	0	42	0.0	-42.62	349.36	2.65	-39.97
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012070105	0	44	0.0	-39.30	355.51	5.06	-34.24
CSCC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012070106	0	46	0.0	-48.63	385.55	7.09	-41.54
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012070107	0	49	0.0	-47.17	391.67	5.95	-41.22
CN1N=C2CCOCC2=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070108	0	47	0.0	-47.64	371.59	2.57	-45.07
CN1N=C2CCCC2=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070109	0	46	0.0	-47.09	362.98	4.44	-42.65
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012070110	0	46	0.0	-43.17	364.70	4.91	-38.26
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012070111	0	46	0.0	-51.62	367.59	4.99	-46.63
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070112	0	52	0.0	-36.25	418.97	6.69	-29.56
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070113	0	49	0.0	-39.58	404.27	6.18	-33.40
COC1=CC=C(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070114	0	46	0.0	-44.76	361.93	5.06	-39.70
CN1C=NC2=CC=CC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=C21	REAL300012070115	0	45	0.0	-47.54	357.97	6.46	-41.08
CCC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070116	0	45	0.0	-40.89	351.17	6.43	-34.46
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012070117	0	49	0.0	-53.02	389.33	4.73	-48.29
CC1=CC(F)=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070118	0	42	0.0	-44.66	345.85	5.92	-38.74
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=C1C	REAL300012070119	0	48	0.0	-42.34	367.07	6.81	-35.53
CCNC(=O)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012070120	0	49	0.0	-51.55	395.30	4.11	-47.44
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070121	0	51	0.0	-38.40	371.92	7.45	-30.95
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012070122	0	49	0.0	-51.82	376.12	5.47	-46.35
COC1=CC=C2SC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CC2=C1	REAL300012070123	0	46	0.0	-47.72	386.70	6.06	-41.66
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CON=C1C1CC1	REAL300012070124	0	42	0.0	-51.65	348.20	4.68	-46.97
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012070125	0	55	0.0	-52.42	431.14	6.80	-45.62
CCN1CCC2=CC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CC=C21	REAL300012070126	0	51	0.0	-43.11	399.49	5.88	-37.23
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012070127	0	52	0.0	-51.73	410.05	5.84	-45.89
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=NN1C(C)C	REAL300012070128	0	48	0.0	-48.79	382.71	5.01	-43.78
CSC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1Cl	REAL300012070129	0	43	0.0	-47.42	373.33	6.63	-40.79
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1C1CC1	REAL300012070130	0	49	0.0	-46.14	385.14	7.78	-38.36
CCOC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=N1	REAL300012070131	0	45	0.0	-52.84	368.37	2.84	-50.00
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1C1CC1	REAL300012070132	0	49	0.0	-42.50	386.63	7.89	-34.61
CC1=NN(C2=CC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])C(C)=C2)C=C1	REAL300012070133	0	52	0.0	-47.26	413.30	7.47	-39.79
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])O2)N1	REAL300012070134	0	46	0.0	-49.09	388.65	3.85	-45.24
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])O1	REAL300012070135	0	40	0.0	-42.94	333.55	3.61	-39.33
COCCOC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])O1	REAL300012070136	0	47	0.0	-44.99	389.03	3.79	-41.20
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070137	0	51	0.0	-44.37	401.15	5.34	-39.03
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012070138	0	42	0.0	-41.11	347.95	3.69	-37.42
CCN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=N1	REAL300012070139	0	45	0.0	-50.60	364.02	4.33	-46.27
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C2CC2)=N1	REAL300012070140	0	46	0.0	-47.57	374.44	5.02	-42.55
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070141	0	46	0.0	-46.72	369.28	4.63	-42.09
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070142	0	49	0.0	-49.23	388.98	8.07	-41.16
CC(C)C1=NOC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070143	0	44	0.0	-46.13	357.99	4.51	-41.62
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012070144	0	43	0.0	-37.98	373.77	3.92	-34.06
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012070145	0	49	0.0	-49.28	392.04	1.69	-47.59
COC1=NC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1F	REAL300012070146	0	42	0.0	-41.61	352.43	1.98	-39.63
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012070147	0	39	0.0	-54.46	337.15	5.19	-49.27
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012070148	0	51	0.0	-44.67	401.56	6.70	-37.97
CC1=C(C)SC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012070149	0	41	0.0	-41.96	344.90	3.64	-38.32
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012070150	0	48	0.0	-57.82	397.92	5.57	-52.25
CC1=CC(Br)=CN=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070151	0	41	0.0	-36.81	345.45	4.18	-32.63
CC1OC2=CC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])C=C2C1C	REAL300012070152	0	50	0.0	-44.60	393.59	6.37	-38.23
CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OC(F)F	REAL300012070153	0	46	0.0	-51.29	377.44	5.49	-45.80
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSN=C1	REAL300012070154	0	35	0.0	-47.09	301.46	2.61	-44.48
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070155	0	51	0.0	-41.29	389.40	7.64	-33.65
CN1N=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012070156	0	45	0.0	-48.78	370.15	0.49	-48.29
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012070157	0	42	0.0	-48.40	355.35	3.00	-45.40
CC(C)CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N=N1	REAL300012070158	0	47	0.0	-55.36	375.18	3.97	-51.39
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012070159	1	42	0.0	-46.35	352.80	4.21	-42.14
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012070160	0	39	0.0	-48.74	338.88	2.51	-46.23
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012070161	0	44	0.0	-43.14	356.05	5.10	-38.04
CN1C=C(Cl)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012070162	0	39	0.0	-45.21	339.50	3.27	-41.94
CS(=O)(=O)C1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=CS1	REAL300012070163	0	42	0.0	-40.50	362.14	2.25	-38.25
CSC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070164	0	43	0.0	-50.18	360.70	6.12	-44.06
CC(C)C1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])N(C)N=C1	REAL300012070165	0	48	0.0	-45.12	377.97	4.60	-40.52
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC(C)=N1	REAL300012070166	0	44	0.0	-49.56	358.59	4.56	-45.00
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012070167	0	49	0.0	-45.67	391.73	6.10	-39.57
CCCN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=N1	REAL300012070168	0	48	0.0	-44.96	385.26	5.23	-39.73
CCN1C=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012070169	0	42	0.0	-40.34	341.36	3.55	-36.79
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012070170	0	41	0.0	-50.32	342.69	3.79	-46.53
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012070172	0	46	0.0	-44.10	385.28	7.33	-36.77
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012070173	0	47	0.0	-48.86	377.88	5.96	-42.90
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012070174	0	43	0.0	-40.28	369.99	5.00	-35.28
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=C1	REAL300012070175	0	52	0.0	-50.40	414.96	8.25	-42.15
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])C=C2)C=N1	REAL300012070176	0	52	0.0	-49.81	417.92	8.87	-40.94
CNC(=O)C1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070177	0	46	0.0	-55.72	373.44	3.24	-52.48
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012070178	0	53	0.0	-42.52	415.16	9.29	-33.23
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070180	0	49	0.0	-56.46	397.76	4.15	-52.31
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012070181	0	45	0.0	-41.53	370.29	6.16	-35.37
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012070182	0	46	0.0	-46.02	364.08	3.88	-42.14
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070183	0	49	0.0	-47.62	399.70	6.39	-41.23
CCCN1C=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012070184	0	45	0.0	-41.18	365.70	4.37	-36.81
CC(C)N1C=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012070185	0	45	0.0	-42.38	360.31	4.10	-38.28
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070186	0	50	0.0	-44.84	391.59	5.76	-39.08
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012070187	0	42	0.0	-43.72	359.24	4.05	-39.67
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012070188	0	49	0.0	-48.86	390.70	7.13	-41.73
CN1C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=NC2=C1CCCC2	REAL300012070189	0	49	0.0	-39.20	382.48	5.91	-33.29
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070190	0	42	0.0	-41.07	362.41	2.42	-38.65
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012070191	0	42	0.0	-56.46	352.17	3.72	-52.74
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012070192	0	42	0.0	-39.51	353.43	6.02	-33.49
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012070193	0	47	0.0	-46.94	361.47	4.93	-42.01
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070194	0	46	0.0	-40.68	386.49	6.03	-34.65
COC1=NN(C)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070195	0	43	0.0	-41.48	355.48	0.97	-40.51
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012070196	0	43	0.0	-42.46	357.53	2.50	-39.96
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012070197	0	46	0.0	-51.38	378.41	5.23	-46.15
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012070198	0	46	0.0	-41.76	364.08	5.86	-35.90
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012070199	0	41	0.0	-48.13	352.66	5.92	-42.21
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012070200	0	52	0.0	-45.43	402.31	6.08	-39.35
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012070201	0	46	0.0	-42.37	393.63	6.71	-35.66
CN(CCO)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=N1	REAL300012070203	0	50	0.0	-45.08	397.61	2.75	-42.33
COC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012070204	0	55	0.0	-38.12	410.77	6.88	-31.24
CN1C=C(Br)N=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070205	0	39	0.0	-42.98	342.27	3.94	-39.04
COC1=CC(C)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=N1	REAL300012070206	0	45	0.0	-46.32	359.92	2.46	-43.86
COC1=CC(C)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1O	REAL300012070207	0	47	0.0	-48.32	373.21	2.83	-45.49
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012070208	0	45	0.0	-60.99	376.52	4.35	-56.64
CN1C(=O)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012070209	0	48	0.0	-56.49	384.09	5.93	-50.56
COC1=NC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1C	REAL300012070210	0	45	0.0	-43.20	367.36	2.45	-40.75
CCCN1C=NC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070211	0	45	0.0	-41.53	355.88	6.04	-35.49
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CNC1=O	REAL300012070212	0	39	0.0	-56.73	321.23	2.08	-54.65
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012070213	0	46	0.0	-54.72	374.76	4.98	-49.74
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012070214	0	52	0.0	-45.97	409.22	8.68	-37.29
CCC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=NN1CC	REAL300012070215	0	48	0.0	-44.67	375.86	5.03	-39.64
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012070216	0	39	0.0	-43.56	344.45	5.57	-37.99
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012070217	0	43	0.0	-46.98	351.38	3.68	-43.30
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012070218	0	43	0.0	-48.98	363.46	4.79	-44.19
COC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=CS1	REAL300012070219	0	40	0.0	-44.12	341.34	3.46	-40.66
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012070220	0	42	0.0	-45.47	357.38	4.96	-40.51
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070221	0	45	0.0	-48.03	373.00	6.56	-41.47
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012070222	0	45	0.0	-45.26	383.12	6.04	-39.22
CN1C=C(C2=NNC=C2C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=N1	REAL300012070223	0	46	0.0	-42.85	378.49	2.87	-39.98
CCCN1N=C(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1Cl	REAL300012070224	0	48	0.0	-42.41	400.88	5.48	-36.93
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])S1	REAL300012070225	0	45	0.0	-53.47	386.10	4.53	-48.94
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012070226	0	39	0.0	-49.10	334.82	5.33	-43.77
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012070227	0	46	0.0	-48.57	385.00	7.63	-40.94
CC(C)(C)C1=NNC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070228	0	48	0.0	-45.76	378.92	3.81	-41.95
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012070229	0	45	0.0	-44.16	377.44	7.87	-36.29
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012070230	0	56	0.0	-37.36	427.16	7.97	-29.39
C=CCC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070231	0	46	0.0	-40.73	364.70	7.02	-33.71
CCN1CCCC2=CC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=CC=C21	REAL300012070232	0	54	0.0	-46.89	408.65	6.34	-40.55
COCC1=CN=C(OC)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070233	0	49	0.0	-40.38	399.68	1.58	-38.80
CN1N=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1Br	REAL300012070234	0	39	0.0	-40.94	342.53	3.44	-37.50
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012070235	0	43	0.0	-47.48	349.15	6.46	-41.02
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012070236	0	42	0.0	-54.71	346.56	3.09	-51.62
COCC1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070237	0	46	0.0	-43.36	366.20	5.07	-38.29
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012070238	0	43	0.0	-49.15	374.05	6.48	-42.67
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012070239	0	52	0.0	-50.05	412.63	5.88	-44.17
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012070240	0	47	0.0	-44.15	373.90	5.35	-38.80
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012070241	0	43	0.0	-53.13	356.25	0.41	-52.72
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012070242	0	45	0.0	-48.68	380.46	7.32	-41.36
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012070243	0	45	0.0	-52.01	374.38	3.40	-48.61
COC1=CC=C(F)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1OC	REAL300012070244	0	47	0.0	-45.20	385.92	4.41	-40.79
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012070245	0	42	0.0	-51.20	344.17	4.70	-46.50
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012070246	0	46	0.0	-39.82	372.75	2.83	-36.99
C=CC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012070247	0	43	0.0	-47.59	351.31	6.16	-41.43
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012070248	0	53	0.0	-48.31	417.25	7.38	-40.93
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070249	0	45	0.0	-50.11	359.99	6.73	-43.38
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC=C1OCCO	REAL300012070250	0	51	0.0	-52.92	410.08	2.20	-50.72
CCN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C2CC2)=N1	REAL300012070251	0	49	0.0	-47.25	395.98	5.88	-41.37
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1OCCO	REAL300012070252	0	51	0.0	-52.46	410.08	2.20	-50.26
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012070253	0	49	0.0	-58.53	392.40	3.80	-54.73
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070254	0	47	0.0	-49.75	368.13	4.83	-44.92
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012070255	0	44	0.0	-51.53	359.10	5.64	-45.89
CC1=CC2=CC=CC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=C2O1	REAL300012070256	0	45	0.0	-39.59	368.99	6.37	-33.22
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012070257	0	42	0.0	-52.39	352.29	6.29	-46.10
COC1=CSC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1OC	REAL300012070258	0	44	0.0	-40.81	372.53	3.27	-37.54
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012070259	0	45	0.0	-46.02	363.14	5.27	-40.75
CS(=O)(=O)C1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])SC=C1	REAL300012070260	0	42	0.0	-41.51	361.89	1.86	-39.65
CS(=O)(=O)C1=COC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070261	0	42	0.0	-56.48	361.04	0.59	-55.89
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012070262	0	42	0.0	-40.94	362.74	6.23	-34.71
CC(C)OC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1F	REAL300012070263	0	49	0.0	-49.05	394.94	6.13	-42.92
CCN1C=C(Cl)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012070264	0	42	0.0	-44.93	361.04	4.12	-40.81
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012070265	0	39	0.0	-53.72	346.27	5.84	-47.88
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012070266	0	42	0.0	-48.76	349.82	5.89	-42.87
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012070267	0	45	0.0	-39.66	370.29	7.49	-32.17
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070268	0	42	0.0	-50.59	370.67	1.79	-48.80
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012070269	0	36	0.0	-45.88	325.13	4.72	-41.16
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=NN1C1CCC1	REAL300012070270	0	49	0.0	-47.62	385.27	5.64	-41.98
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012070271	0	46	0.0	-49.93	396.05	6.84	-43.09
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070272	0	52	0.0	-47.12	407.89	6.11	-41.01
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012070273	0	42	0.0	-48.13	350.66	4.05	-44.08
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070274	0	49	0.0	-47.17	397.85	5.87	-41.30
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012070275	0	42	0.0	-51.50	359.99	6.67	-44.83
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012070276	0	38	0.0	-43.47	332.17	3.63	-39.84
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012070277	0	46	0.0	-49.19	382.89	6.31	-42.88
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070278	0	46	0.0	-41.15	374.02	3.35	-37.80
COC1=NC(C)=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=C1Cl	REAL300012070279	0	48	0.0	-42.64	394.45	3.48	-39.16
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070280	0	48	0.0	-54.10	394.99	5.39	-48.71
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012070281	0	46	0.0	-42.40	363.33	4.57	-37.83
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012070282	0	42	0.0	-45.70	354.62	3.87	-41.83
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012070283	0	43	0.0	-46.33	365.96	4.51	-41.82
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070284	0	55	0.0	-49.24	424.34	6.71	-42.53
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012070285	0	50	0.0	-48.24	395.91	3.75	-44.49
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070286	0	53	0.0	-45.86	415.57	4.39	-41.47
CC1=CN(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012070287	0	42	0.0	-40.87	338.59	3.96	-36.91
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012070288	0	49	0.0	-42.93	385.85	5.42	-37.51
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070289	0	41	0.0	-50.22	364.25	-0.81	-51.03
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012070290	0	38	0.0	-38.17	341.19	4.01	-34.16
CC1=NSC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070291	0	38	0.0	-45.97	320.64	3.45	-42.52
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070292	0	52	0.0	-48.05	401.80	6.00	-42.05
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012070293	0	42	0.0	-46.14	343.41	6.22	-39.92
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012070294	0	42	0.0	-47.26	345.13	3.93	-43.33
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012070295	0	39	0.0	-54.26	346.70	5.85	-48.41
CC1=C(F)C=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070296	0	42	0.0	-42.95	339.87	5.87	-37.08
CN1C=C(C2=CC=CC(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])=C2)C=N1	REAL300012070297	0	49	0.0	-50.10	398.23	6.45	-43.65
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012070298	0	49	0.0	-60.13	406.00	7.61	-52.52
CC1=CC=C(Br)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070299	0	42	0.0	-44.64	353.74	6.39	-38.25
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070300	0	44	0.0	-44.03	369.53	5.03	-39.00
COC1=NC2=CC=C(C[NH2+]C(CC3CCS(=O)(=O)C3)C(=O)[O-])C=C2S1	REAL300012070301	0	45	0.0	-53.24	383.84	3.02	-50.22
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012070302	0	38	0.0	-53.62	334.45	3.89	-49.73
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012070303	0	39	0.0	-44.55	348.80	6.09	-38.46
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070304	0	41	0.0	-46.16	346.57	4.44	-41.72
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070305	0	55	0.0	-46.52	431.59	7.38	-39.14
COC1=CC(Cl)=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070306	0	43	0.0	-43.18	364.27	4.99	-38.19
COC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CC(F)=C1F	REAL300012070307	0	43	0.0	-48.41	362.21	4.69	-43.72
COC1=CC(C)=NC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070308	0	45	0.0	-43.88	362.21	3.17	-40.71
CC(C)N1C=NC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070309	0	45	0.0	-42.35	363.56	5.62	-36.73
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070310	0	46	0.0	-42.39	382.32	2.82	-39.57
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012070311	0	45	0.0	-50.43	367.37	5.56	-44.87
COC(=O)C1=C(C)NC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1C	REAL300012070312	0	49	0.0	-48.06	403.44	4.91	-43.15
CC(C)OC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])O1	REAL300012070313	0	46	0.0	-44.35	373.14	5.23	-39.12
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012070314	0	42	0.0	-42.87	359.87	4.11	-38.76
N#CC1=CC(F)=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070315	0	40	0.0	-53.34	344.95	5.48	-47.86
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012070316	0	55	0.0	-45.40	419.20	8.80	-36.60
COC1=CC=CC=C1C=CC[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070317	0	47	0.0	-43.90	377.45	5.83	-38.07
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])SC(Br)=C1	REAL300012070318	0	39	0.0	-45.86	350.05	5.61	-40.25
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070319	0	49	0.0	-44.69	387.55	5.60	-39.09
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=NN1CC(F)F	REAL300012070320	0	45	0.0	-47.04	370.39	4.36	-42.68
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012070321	0	47	0.0	-47.70	389.38	5.60	-42.10
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070322	0	48	0.0	-37.83	398.35	5.22	-32.61
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070323	0	46	0.0	-52.15	383.10	4.29	-47.86
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012070324	0	52	0.0	-48.42	422.22	9.67	-38.75
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012070325	0	55	0.0	-49.94	436.99	6.24	-43.70
COC1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=N1	REAL300012070326	0	45	0.0	-44.84	359.72	2.43	-42.41
CCN(C)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C)=C1	REAL300012070327	0	53	0.0	-43.23	401.57	6.85	-36.38
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012070328	0	36	0.0	-38.56	339.06	5.18	-33.38
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070329	0	60	0.0	-40.01	447.71	7.36	-32.65
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=NS1	REAL300012070330	0	38	0.0	-45.76	317.94	3.37	-42.39
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070331	0	50	0.0	-43.98	398.20	4.49	-39.49
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=NO1	REAL300012070332	0	38	0.0	-43.03	312.07	3.23	-39.80
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012070333	0	42	0.0	-49.18	347.41	6.02	-43.16
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012070334	0	42	0.0	-44.47	357.12	6.63	-37.84
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012070335	0	48	0.0	-51.71	388.84	6.87	-44.84
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC=C1CO	REAL300012070336	0	43	0.0	-45.33	339.89	2.40	-42.93
CC1=NSC(C)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070337	0	41	0.0	-48.89	341.99	4.04	-44.85
CC(C)(C)C1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=NO1	REAL300012070338	0	47	0.0	-40.90	360.26	4.89	-36.01
CC1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1C(F)(F)F	REAL300012070339	0	45	0.0	-48.04	363.35	6.82	-41.22
C=CCN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=N1	REAL300012070340	0	43	0.0	-48.04	357.64	4.32	-43.72
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012070341	0	42	0.0	-55.29	346.73	3.81	-51.48
CCC(C)C1=CC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=C1	REAL300012070342	0	51	0.0	-46.50	399.16	7.70	-38.80
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012070343	0	46	0.0	-49.85	379.66	3.86	-45.99
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070344	0	52	0.0	-41.00	415.62	7.48	-33.52
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=N1	REAL300012070345	0	44	0.0	-43.72	366.33	4.93	-38.79
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012070346	0	49	0.0	-44.42	374.44	7.42	-37.00
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070347	0	46	0.0	-49.28	381.21	7.03	-42.25
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012070348	0	42	0.0	-40.10	361.09	6.16	-33.94
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012070349	0	45	0.0	-53.91	369.72	4.90	-49.01
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012070350	0	48	0.0	-44.74	370.41	7.61	-37.13
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070351	0	57	0.0	-42.94	443.63	6.83	-36.11
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070352	0	47	0.0	-40.48	380.65	4.65	-35.83
CC1=NC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C(C)S1	REAL300012070353	0	41	0.0	-47.50	345.26	3.44	-44.06
O=C([O-])C(CC1CCS(=O)(=O)C1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012070354	0	52	0.0	-44.25	405.64	2.19	-42.06
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070355	0	51	0.0	-44.38	402.72	3.79	-40.59
CCCN1N=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1C	REAL300012070356	0	48	0.0	-44.61	379.16	4.84	-39.77
CC1=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012070357	0	47	0.0	-49.90	375.93	6.16	-43.74
CC1=CC(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012070358	0	48	0.0	-47.72	389.61	6.50	-41.22
COC(=O)C1=CN(C)C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])=C1	REAL300012070359	0	46	0.0	-45.37	378.85	5.26	-40.11
CCCN1N=C(C)C=C1C[NH2+]C(CC1CCS(=O)(=O)C1)C(=O)[O-]	REAL300012070360	0	48	0.0	-42.91	379.59	5.06	-37.85
CN1C=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012070361	0	49	0.0	-44.32	388.80	5.58	-38.74
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCS(=O)(=O)C2)C(=O)[O-])O1	REAL300012070362	1	47	0.0	-46.56	379.25	2.55	-44.01
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012070363	0	42	0.0	-38.84	338.46	9.04	-29.80
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070364	0	47	0.0	-37.41	398.11	10.90	-26.51
CC(C)(C)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070365	0	49	0.0	-35.40	374.74	11.19	-24.21
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012070366	0	44	0.0	-29.68	353.32	8.50	-21.18
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Br)O1	REAL300012070367	0	34	0.0	-32.35	301.23	7.59	-24.76
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070368	0	47	0.0	-34.56	375.55	10.38	-24.18
N#CCCN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012070369	0	51	0.0	-34.01	404.18	11.45	-22.56
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OC(F)F	REAL300012070370	0	45	0.0	-41.55	367.05	8.35	-33.20
CCOC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OC	REAL300012070371	0	48	0.0	-38.99	379.15	8.99	-30.00
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012070372	0	51	0.0	-30.12	410.06	12.09	-18.03
CCCCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070373	0	53	0.0	-37.13	415.72	11.50	-25.63
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012070374	0	46	0.0	-38.70	387.23	11.29	-27.41
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012070375	0	46	0.0	-38.99	387.21	11.29	-27.70
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1Br	REAL300012070376	0	41	0.0	-36.78	348.47	8.83	-27.95
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070377	0	47	0.0	-28.79	368.11	9.66	-19.13
CCCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC	REAL300012070378	0	54	0.0	-40.61	423.33	10.59	-30.02
CCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC	REAL300012070379	0	51	0.0	-38.80	400.65	9.79	-29.01
C=CCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC	REAL300012070380	0	49	0.0	-39.06	392.05	9.57	-29.49
CCCCCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC	REAL300012070381	0	60	0.0	-40.51	466.33	12.15	-28.36
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012070382	0	44	0.0	-33.72	375.76	11.13	-22.59
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012070383	0	44	0.0	-33.71	375.86	11.18	-22.53
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012070384	0	44	0.0	-35.67	381.91	11.97	-23.70
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012070385	0	47	0.0	-37.30	382.79	10.54	-26.76
CCC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012070386	0	46	0.0	-35.92	363.52	10.79	-25.13
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012070387	0	46	0.0	-39.44	383.12	11.90	-27.54
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012070388	0	43	0.0	-31.75	370.04	9.58	-22.17
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012070389	0	41	0.0	-29.12	344.76	8.61	-20.51
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012070390	0	41	0.0	-39.97	356.26	10.38	-29.59
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012070391	0	44	0.0	-31.11	359.87	6.60	-24.51
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(Cl)=C1	REAL300012070392	0	41	0.0	-35.33	340.27	8.47	-26.86
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012070393	0	41	0.0	-39.69	345.86	8.71	-30.98
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012070394	0	46	0.0	-40.98	393.37	12.12	-28.86
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012070395	0	46	0.0	-36.83	394.40	12.15	-24.68
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012070396	0	44	0.0	-37.25	347.92	8.47	-28.78
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070397	0	47	0.0	-36.05	362.92	9.08	-26.97
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012070398	0	41	0.0	-35.64	335.21	7.57	-28.07
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070399	0	48	0.0	-39.25	374.03	7.71	-31.54
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012070400	0	40	0.0	-33.29	337.06	10.12	-23.17
CCOC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012070401	0	56	0.0	-32.92	426.04	9.00	-23.92
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012070402	0	43	0.0	-38.29	345.93	9.40	-28.89
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])O2)C=C1	REAL300012070403	0	47	0.0	-34.41	383.29	11.40	-23.01
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2CCSC2)C(=O)[O-])O1	REAL300012070404	0	44	0.0	-30.52	361.21	7.85	-22.67
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012070405	0	43	0.0	-34.07	328.92	6.54	-27.53
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012070406	0	50	0.0	-42.16	388.34	7.58	-34.58
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012070407	0	52	0.0	-39.04	408.19	9.52	-29.52
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Cl)S1	REAL300012070408	0	34	0.0	-36.28	307.41	8.46	-27.82
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012070409	0	44	0.0	-37.49	374.40	11.58	-25.91
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012070410	0	42	0.0	-27.36	336.14	9.15	-18.21
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012070411	0	50	0.0	-29.86	398.99	10.27	-19.59
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070412	0	46	0.0	-31.16	371.05	7.75	-23.41
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012070413	0	44	0.0	-39.94	356.90	10.07	-29.87
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012070414	0	43	0.0	-42.34	353.15	11.44	-30.90
CC(C)N1N=CC2=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=C(Cl)N=C21	REAL300012070415	0	48	0.0	-40.61	397.74	9.81	-30.80
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012070416	0	44	0.0	-33.52	383.57	12.03	-21.49
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012070417	0	44	0.0	-35.60	378.86	11.77	-23.83
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012070418	0	37	0.0	-34.64	309.32	8.76	-25.88
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012070419	0	40	0.0	-30.99	344.56	10.02	-20.97
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012070420	0	37	0.0	-33.16	312.20	9.10	-24.06
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012070421	0	37	0.0	-38.40	322.47	9.47	-28.93
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012070422	0	40	0.0	-44.30	342.73	9.90	-34.40
CCOC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070423	0	44	0.0	-33.14	351.50	8.97	-24.17
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012070424	0	37	0.0	-31.15	324.53	9.55	-21.60
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012070425	0	40	0.0	-39.60	335.14	9.88	-29.72
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012070426	0	37	0.0	-42.50	317.41	9.03	-33.47
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012070427	0	40	0.0	-39.78	343.55	9.91	-29.87
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012070428	0	40	0.0	-35.97	343.42	9.78	-26.19
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(Cl)=C1OC	REAL300012070429	0	45	0.0	-37.83	369.65	8.37	-29.46
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012070430	0	40	0.0	-34.28	339.05	10.35	-23.93
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012070431	0	37	0.0	-38.39	322.47	9.48	-28.91
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012070432	0	41	0.0	-33.93	354.80	8.89	-25.04
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012070433	0	44	0.0	-38.23	384.74	12.03	-26.20
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=C2)=C1	REAL300012070434	0	52	0.0	-37.45	429.47	12.34	-25.11
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012070435	0	47	0.0	-39.94	367.54	7.06	-32.88
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CN=C1Cl	REAL300012070436	0	36	0.0	-35.59	300.99	7.18	-28.41
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012070437	0	48	0.0	-41.41	398.72	9.45	-31.96
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012070438	0	50	0.0	-42.12	405.88	10.41	-31.71
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070439	0	46	0.0	-36.74	364.64	8.35	-28.39
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012070440	0	47	0.0	-41.31	398.07	11.03	-30.28
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070441	0	46	0.0	-34.89	378.65	8.81	-26.08
COCCOC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070442	0	48	0.0	-41.60	384.71	8.38	-33.22
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1Cl	REAL300012070443	0	41	0.0	-37.02	344.08	8.72	-28.30
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012070444	0	42	0.0	-34.22	361.90	7.75	-26.47
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070445	0	49	0.0	-30.46	382.39	10.54	-19.92
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=N1	REAL300012070446	0	53	0.0	-44.13	415.45	8.59	-35.54
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012070447	0	44	0.0	-34.06	368.27	9.36	-24.70
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012070448	0	43	0.0	-31.20	343.03	7.95	-23.25
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012070449	0	46	0.0	-31.06	356.13	8.65	-22.41
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070450	0	49	0.0	-39.54	387.71	10.78	-28.76
CCCOC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070451	0	47	0.0	-38.50	371.27	9.87	-28.63
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012070452	0	44	0.0	-33.58	366.22	11.32	-22.26
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012070453	0	51	0.0	-32.83	394.97	10.98	-21.85
CC(C)OC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070454	0	47	0.0	-37.37	369.01	9.74	-27.63
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012070455	0	50	0.0	-38.71	401.64	11.10	-27.61
CC1=CC=C(C2=NC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CS2)C=C1	REAL300012070456	1	46	0.0	-32.12	387.89	10.29	-21.83
CC(C)C1=NC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CS1	REAL300012070457	1	42	0.0	-31.28	349.41	7.85	-23.43
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012070458	0	51	0.0	-33.90	412.33	12.12	-21.78
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012070459	0	47	0.0	-31.69	395.22	9.04	-22.65
CC1=CC=C(OCC2=NC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CS2)C=C1	REAL300012070460	0	50	0.0	-32.92	419.48	9.80	-23.12
CC(C)(C)C1=NC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CS1	REAL300012070461	1	45	0.0	-29.92	365.49	8.27	-21.65
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012070462	0	40	0.0	-30.63	354.67	8.46	-22.17
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012070463	0	44	0.0	-39.25	374.42	11.59	-27.66
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070464	0	51	0.0	-32.65	402.34	9.49	-23.16
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012070465	0	51	0.0	-29.07	393.99	11.02	-18.05
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])S2)C=C1	REAL300012070466	0	47	0.0	-34.43	385.56	12.08	-22.35
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012070467	0	43	0.0	-36.04	363.45	8.96	-27.08
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070468	0	41	0.0	-28.30	358.63	9.06	-19.24
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012070469	0	37	0.0	-32.26	333.33	9.79	-22.47
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012070470	0	37	0.0	-30.20	326.45	9.60	-20.60
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012070471	0	48	0.0	-38.05	401.25	11.88	-26.17
CCOC1=C(OC)C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC	REAL300012070472	0	52	0.0	-40.93	412.17	8.90	-32.03
COCCCOC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070473	0	51	0.0	-34.63	406.67	8.84	-25.79
CC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CN=C1Cl	REAL300012070474	0	39	0.0	-42.05	330.23	8.11	-33.94
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070475	0	45	0.0	-34.19	367.55	7.66	-26.53
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012070476	0	41	0.0	-32.19	352.14	8.79	-23.40
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012070477	0	57	0.0	-33.33	451.60	13.50	-19.83
CC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012070478	0	50	0.0	-40.68	401.56	10.55	-30.13
O=C(COC1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-])NCC1CC1	REAL300012070479	0	55	0.0	-34.58	441.85	10.02	-24.56
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])S2)C=C1	REAL300012070480	0	46	0.0	-35.93	386.59	10.44	-25.49
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012070481	0	42	0.0	-29.18	353.81	9.71	-19.47
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012070482	0	42	0.0	-30.06	345.64	9.30	-20.76
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012070483	0	42	0.0	-29.71	343.51	9.27	-20.44
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012070484	0	42	0.0	-29.67	354.50	9.68	-19.99
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012070485	0	44	0.0	-36.12	376.37	10.88	-25.24
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])O1	REAL300012070486	0	47	0.0	-33.81	385.91	11.37	-22.44
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])O2)C=C1	REAL300012070487	0	50	0.0	-36.11	399.44	11.97	-24.14
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(OC(F)F)=C1	REAL300012070488	0	45	0.0	-34.20	367.58	7.66	-26.54
COC1=CC=C2OC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CC2=C1	REAL300012070489	0	44	0.0	-35.52	356.14	8.54	-26.98
O=C([O-])C(CC1CCSC1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012070490	0	41	0.0	-38.94	346.31	10.69	-28.25
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012070491	0	43	0.0	-34.20	348.67	10.05	-24.15
O=C([O-])C(CC1CCSC1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012070492	0	40	0.0	-39.20	329.58	9.18	-30.02
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012070493	0	45	0.0	-35.96	368.05	10.50	-25.46
CC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1Br	REAL300012070494	0	40	0.0	-38.62	338.05	10.05	-28.57
O=C([O-])C(CC1CCSC1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012070495	0	41	0.0	-39.47	344.60	10.20	-29.27
CC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1Br	REAL300012070496	0	40	0.0	-37.68	339.21	10.07	-27.61
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012070497	0	44	0.0	-34.15	360.53	9.94	-24.21
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Cl)SC=C1	REAL300012070498	0	34	0.0	-33.03	304.33	8.27	-24.76
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012070499	0	42	0.0	-31.77	352.66	9.08	-22.69
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012070500	0	41	0.0	-39.85	338.55	8.75	-31.10
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012070501	0	41	0.0	-37.43	338.45	8.75	-28.68
CCOC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=N1	REAL300012070502	0	43	0.0	-31.28	347.83	6.32	-24.96
CC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012070503	0	45	0.0	-39.37	360.97	10.07	-29.30
CC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1Cl	REAL300012070504	0	40	0.0	-37.17	333.86	9.95	-27.22
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012070505	0	39	0.0	-36.23	329.21	8.15	-28.08
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])O2)C=C1	REAL300012070506	0	56	0.0	-33.99	437.99	13.04	-20.95
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070507	0	57	0.0	-26.68	421.60	11.54	-15.14
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070508	0	57	0.0	-30.81	440.38	11.78	-19.03
CCCC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070509	0	46	0.0	-31.96	361.72	10.88	-21.08
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070510	0	55	0.0	-38.24	433.25	13.62	-24.62
CCN(CC)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1F	REAL300012070511	0	51	0.0	-37.10	399.14	9.97	-27.13
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C(SC)C=C1OC	REAL300012070512	0	49	0.0	-33.83	388.76	8.71	-25.12
COC1=CC=C2N=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])SC2=C1	REAL300012070513	0	43	0.0	-33.97	362.91	7.78	-26.19
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070514	0	43	0.0	-31.58	364.40	9.83	-21.75
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1C#N	REAL300012070515	0	42	0.0	-42.17	348.12	8.56	-33.61
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012070516	0	41	0.0	-37.18	348.23	10.11	-27.07
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070517	0	43	0.0	-34.62	350.21	10.41	-24.21
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012070518	0	41	0.0	-40.19	344.03	8.52	-31.67
CCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])N=C1	REAL300012070519	0	43	0.0	-31.62	345.19	7.10	-24.52
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070520	0	43	0.0	-33.67	350.82	10.20	-23.47
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012070521	0	45	0.0	-37.43	377.48	8.56	-28.87
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OCC(C)C	REAL300012070522	0	54	0.0	-38.52	420.61	10.44	-28.08
CCCOC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OC	REAL300012070523	0	51	0.0	-39.11	401.97	9.83	-29.28
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Br)S1	REAL300012070524	0	34	0.0	-36.34	312.04	8.56	-27.78
CCOC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012070525	0	48	0.0	-37.09	399.34	9.48	-27.61
C=CCOC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070526	0	45	0.0	-31.88	361.60	9.49	-22.39
COC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1OC(C)C	REAL300012070527	0	51	0.0	-28.98	398.29	9.78	-19.20
CCOC1=C(Cl)C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC	REAL300012070528	0	48	0.0	-41.69	400.29	9.68	-32.01
CCCOC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=CC=C1OCC	REAL300012070529	0	54	0.0	-28.98	424.15	10.67	-18.31
CCCCOC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OC	REAL300012070530	0	54	0.0	-39.17	423.33	10.59	-28.58
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC(F)F	REAL300012070531	0	45	0.0	-36.82	368.23	8.37	-28.45
CCOC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OC(F)F	REAL300012070532	0	48	0.0	-41.76	390.23	9.31	-32.45
CC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012070533	0	47	0.0	-38.84	375.72	9.84	-29.00
CCOC1=CC2=C(C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-])OC(C)C2	REAL300012070534	0	52	0.0	-30.67	403.31	9.51	-21.16
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC2=C1OCCO2	REAL300012070535	0	47	0.0	-39.23	371.03	7.69	-31.54
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012070536	0	46	0.0	-36.35	393.26	10.15	-26.20
CCCCN1N=C(C)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1Cl	REAL300012070537	0	49	0.0	-31.94	401.50	9.92	-22.02
CCOC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1OC(F)F	REAL300012070538	0	48	0.0	-30.25	385.15	9.10	-21.15
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012070539	0	55	0.0	-32.42	430.59	10.79	-21.63
CC1=CC(C)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1C	REAL300012070540	0	46	0.0	-31.84	348.25	10.42	-21.42
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012070541	0	44	0.0	-36.53	367.99	11.52	-25.01
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC	REAL300012070542	0	51	0.0	-37.04	420.84	10.32	-26.72
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012070543	0	44	0.0	-38.47	376.59	10.89	-27.58
CC(C)(C[NH2+]C(CC1CCSC1)C(=O)[O-])C1=CC=CC=C1	REAL300012070544	0	46	0.0	-37.67	347.93	10.61	-27.06
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012070545	0	53	0.0	-32.92	404.17	10.20	-22.72
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070546	0	49	0.0	-40.48	378.88	11.78	-28.70
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1CCSC1)C(=O)[O-])=N2	REAL300012070547	1	49	0.0	-29.82	384.39	9.40	-20.42
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070548	0	43	0.0	-33.42	348.40	10.48	-22.94
CC1=C(C)C=C2OC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CC2=C1	REAL300012070549	0	46	0.0	-33.50	364.97	10.46	-23.04
CCCC1CCC(C[NH2+]C(CC2CCSC2)C(=O)[O-])CC1	REAL300012070550	0	52	0.0	-38.12	381.44	11.25	-26.87
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012070551	0	44	0.0	-36.78	358.24	8.92	-27.86
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012070552	0	44	0.0	-42.88	354.50	11.25	-31.63
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012070553	0	44	0.0	-34.74	367.43	10.74	-24.00
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012070554	0	43	0.0	-39.84	360.20	8.58	-31.26
CCCCC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012070555	0	52	0.0	-35.63	407.84	12.39	-23.24
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012070556	0	50	0.0	-44.91	405.42	13.54	-31.37
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070557	0	50	0.0	-38.75	402.36	11.04	-27.71
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012070558	0	46	0.0	-40.07	378.63	9.37	-30.70
COC1=CC=C(C)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070559	0	44	0.0	-33.87	349.73	8.77	-25.10
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1F	REAL300012070560	0	41	0.0	-38.28	334.28	8.24	-30.04
O=C([O-])C(CC1CCSC1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012070561	0	46	0.0	-43.38	346.94	9.77	-33.61
CC(C)C1CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])CCO1	REAL300012070562	0	50	0.0	-38.49	371.26	8.77	-29.72
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012070563	0	44	0.0	-40.96	375.70	9.63	-31.33
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012070564	0	43	0.0	-45.53	377.68	9.55	-35.98
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012070565	0	43	0.0	-42.06	371.80	9.03	-33.03
CCSC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070566	0	44	0.0	-31.37	359.02	10.52	-20.85
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012070567	1	38	0.0	-31.63	329.58	6.57	-25.06
COC1(C[NH2+]C(CC2CCSC2)C(=O)[O-])CCCCC1	REAL300012070568	0	47	0.0	-28.83	340.38	8.02	-20.81
CCN1N=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C2=CC=CC=C21	REAL300012070569	0	46	0.0	-32.27	370.54	9.51	-22.76
COCCC1(C[NH2+]C(CC2CCSC2)C(=O)[O-])CCCCC1	REAL300012070570	0	53	0.0	-34.46	373.25	8.95	-25.51
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012070571	0	34	0.0	-35.34	327.89	9.04	-26.30
CCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070572	0	47	0.0	-37.26	372.72	9.94	-27.32
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070573	0	50	0.0	-33.11	417.40	11.35	-21.76
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012070574	0	40	0.0	-34.84	329.52	9.35	-25.49
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012070575	0	44	0.0	-33.18	359.03	10.61	-22.57
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OC(C)C	REAL300012070576	0	51	0.0	-39.30	398.41	9.65	-29.65
CCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OCC	REAL300012070577	0	54	0.0	-39.09	423.82	10.75	-28.34
CC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012070578	0	42	0.0	-49.06	343.94	10.08	-38.98
CC(C)OC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070579	0	47	0.0	-36.60	367.82	9.72	-26.88
CCCCCCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070580	0	59	0.0	-36.54	457.39	13.02	-23.52
CC(C[NH2+]C(CC1CCSC1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012070581	0	58	0.0	-37.77	434.61	13.16	-24.61
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012070582	0	41	0.0	-33.14	329.54	8.75	-24.39
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Br)C=CS1	REAL300012070583	0	34	0.0	-28.93	309.84	8.38	-20.55
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012070584	0	50	0.0	-35.15	384.71	8.33	-26.82
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012070585	0	37	0.0	-32.04	320.28	9.29	-22.75
CC(C)CC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070586	0	49	0.0	-35.30	379.56	11.53	-23.77
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=C2)C=C1	REAL300012070587	0	50	0.0	-38.58	395.35	12.97	-25.61
COC1=CC=C(Br)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070588	0	41	0.0	-27.82	342.25	8.54	-19.28
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012070589	0	43	0.0	-42.57	353.93	9.58	-32.99
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012070590	0	37	0.0	-37.44	335.10	9.82	-27.62
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012070591	0	37	0.0	-38.24	324.78	9.39	-28.85
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Br)=CO1	REAL300012070592	0	34	0.0	-36.56	303.72	7.73	-28.83
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070593	0	50	0.0	-38.77	395.79	12.97	-25.80
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012070594	0	41	0.0	-35.08	336.60	8.25	-26.83
CCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OCC	REAL300012070595	0	51	0.0	-39.36	402.33	9.95	-29.41
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012070596	0	37	0.0	-37.90	321.40	9.30	-28.60
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012070597	0	40	0.0	-43.41	350.31	10.26	-33.15
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012070598	0	37	0.0	-32.24	314.21	9.18	-23.06
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012070599	0	41	0.0	-34.43	346.15	8.54	-25.89
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012070600	0	37	0.0	-34.25	319.65	9.20	-25.05
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070601	0	51	0.0	-39.00	406.75	11.93	-27.07
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012070602	0	37	0.0	-38.82	314.46	8.95	-29.87
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012070603	0	47	0.0	-34.54	398.07	11.63	-22.91
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012070604	0	37	0.0	-41.12	320.56	9.26	-31.86
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C2=CC=CC=C12	REAL300012070605	0	47	0.0	-33.80	369.47	10.23	-23.57
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012070606	0	44	0.0	-35.84	359.01	8.75	-27.09
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012070606	1	44	0.0	-29.83	354.88	8.57	-21.26
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012070607	0	37	0.0	-44.26	313.52	8.89	-35.37
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070608	0	43	0.0	-31.72	347.67	9.32	-22.40
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(Br)=C1O	REAL300012070609	0	42	0.0	-36.65	348.97	6.26	-30.39
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012070610	0	42	0.0	-35.50	333.23	8.50	-27.00
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC(Br)=C1	REAL300012070611	0	34	0.0	-33.40	311.80	8.42	-24.98
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012070612	0	47	0.0	-33.46	371.56	12.08	-21.38
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012070613	0	50	0.0	-33.67	405.97	10.53	-23.14
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012070614	0	48	0.0	-37.52	374.06	8.65	-28.87
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012070615	0	41	0.0	-34.61	328.85	8.71	-25.90
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012070616	0	37	0.0	-38.40	326.88	9.58	-28.82
CC1=NC(C)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012070617	0	39	0.0	-34.36	326.00	7.21	-27.15
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012070618	0	46	0.0	-42.07	370.07	10.73	-31.34
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012070619	0	46	0.0	-41.16	367.63	10.49	-30.67
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012070620	0	46	0.0	-39.42	367.97	10.52	-28.90
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070621	0	52	0.0	-34.28	391.26	9.35	-24.93
CN1CCN(C2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=C2)CC1	REAL300012070622	1	54	0.0	-36.91	407.76	7.58	-29.33
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012070623	0	46	0.0	-41.58	381.06	7.38	-34.20
CNC(=O)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070624	0	44	0.0	-42.02	355.01	7.15	-34.87
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012070625	0	44	0.0	-42.86	363.65	10.12	-32.74
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070626	0	50	0.0	-38.93	413.99	11.54	-27.39
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012070627	0	44	0.0	-42.24	373.97	10.58	-31.66
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070628	0	50	0.0	-39.39	410.88	11.27	-28.12
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012070629	0	44	0.0	-39.61	370.79	9.60	-30.01
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012070630	0	43	0.0	-35.44	346.26	10.98	-24.46
COC1=C2OC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CC2=CC=C1	REAL300012070631	0	44	0.0	-34.69	356.16	8.54	-26.15
CC(C)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012070632	0	48	0.0	-49.31	384.81	11.39	-37.92
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012070633	0	40	0.0	-39.92	345.77	8.12	-31.80
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070634	0	53	0.0	-36.28	421.92	11.49	-24.79
CCOC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OCC(C)C	REAL300012070635	0	57	0.0	-38.36	442.61	11.39	-26.97
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012070636	0	37	0.0	-34.06	324.21	9.31	-24.75
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012070637	0	37	0.0	-37.85	325.97	9.41	-28.44
COC1=CC(OC)=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070638	0	45	0.0	-37.91	360.63	7.42	-30.49
COC1=CC2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=C2C=C1	REAL300012070639	0	47	0.0	-38.79	375.19	10.43	-28.36
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Br)=CS1	REAL300012070641	0	34	0.0	-33.75	311.87	8.47	-25.28
CCCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OCC	REAL300012070642	0	57	0.0	-40.33	445.18	11.51	-28.82
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070643	0	50	0.0	-39.24	396.04	10.99	-28.25
COC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1OC(F)F	REAL300012070644	0	45	0.0	-32.47	367.15	8.30	-24.17
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012070645	0	41	0.0	-37.12	356.85	9.20	-27.92
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012070646	0	57	0.0	-30.65	437.38	12.20	-18.45
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012070647	0	43	0.0	-45.69	347.69	7.72	-37.97
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012070649	0	37	0.0	-37.62	325.56	9.53	-28.09
CC1=CC=C(COC2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=C2)C=C1	REAL300012070650	0	54	0.0	-38.10	431.22	12.83	-25.27
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012070651	0	52	0.0	-32.93	390.28	9.94	-22.99
CCCCCCOC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070652	0	56	0.0	-32.92	437.50	12.12	-20.80
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1SC	REAL300012070653	0	45	0.0	-38.69	367.46	9.22	-29.47
N#CCCCOC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070654	0	48	0.0	-39.30	391.05	10.21	-29.09
CCCCCOC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OC	REAL300012070655	0	57	0.0	-39.12	444.83	11.37	-27.75
CCC(C)OC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OC	REAL300012070656	0	54	0.0	-38.64	417.83	10.40	-28.24
CCCCCCCOC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070657	0	59	0.0	-32.84	459.00	12.90	-19.94
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OCCCC#N	REAL300012070658	0	52	0.0	-49.43	421.36	10.28	-39.15
C=C(C)COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OC	REAL300012070659	0	52	0.0	-40.01	412.79	10.39	-29.62
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OCCC(C)C	REAL300012070660	0	57	0.0	-38.62	439.57	11.07	-27.55
C=CCC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC(OC)=C1O	REAL300012070661	0	49	0.0	-38.41	393.28	7.99	-30.42
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012070662	0	44	0.0	-37.19	356.74	8.60	-28.59
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070663	0	46	0.0	-37.38	378.38	9.69	-27.69
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070664	0	47	0.0	-33.95	397.29	7.44	-26.51
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012070665	0	43	0.0	-42.87	349.22	8.46	-34.41
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012070666	1	43	0.0	-41.14	364.79	9.59	-31.55
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012070667	0	50	0.0	-41.73	392.46	7.98	-33.75
CN1C=NC2=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CC=C21	REAL300012070668	0	43	0.0	-45.13	348.12	10.22	-34.91
CCN1N=C(C)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1C	REAL300012070669	0	46	0.0	-34.86	360.05	8.42	-26.44
C=CCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1Cl	REAL300012070670	0	45	0.0	-36.95	378.84	10.23	-26.72
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012070671	0	43	0.0	-34.77	365.21	9.76	-25.01
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012070672	0	49	0.0	-36.23	386.61	8.60	-27.63
CC1(C)CC2=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CC=C2O1	REAL300012070673	0	48	0.0	-39.07	377.15	10.13	-28.94
O=C([O-])C(CC1CCSC1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012070674	1	43	0.0	-32.10	355.44	7.16	-24.94
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012070675	0	40	0.0	-30.66	355.26	8.55	-22.11
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070676	0	47	0.0	-35.08	359.27	9.43	-25.65
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012070677	0	40	0.0	-39.21	353.88	10.34	-28.87
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012070678	0	37	0.0	-34.60	332.13	9.80	-24.80
CC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(Br)=C1	REAL300012070679	0	40	0.0	-34.74	336.79	9.96	-24.78
CC(C)COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070680	0	50	0.0	-37.03	392.82	10.63	-26.40
COCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070681	0	48	0.0	-38.80	383.52	8.37	-30.43
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070682	0	52	0.0	-37.90	428.89	12.44	-25.46
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012070683	0	41	0.0	-39.21	353.83	8.99	-30.22
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012070684	0	45	0.0	-38.56	394.68	10.28	-28.28
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1Cl	REAL300012070685	0	47	0.0	-31.97	392.79	10.33	-21.64
COC1=CC2=C(C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-])OCO2	REAL300012070686	0	44	0.0	-37.07	352.96	6.75	-30.32
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012070687	0	42	0.0	-33.99	333.77	9.03	-24.96
CC(C)COC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070688	0	50	0.0	-32.72	393.10	10.47	-22.25
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070689	0	40	0.0	-31.78	325.09	9.67	-22.11
O=C([O-])C(CC1CCSC1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012070690	0	41	0.0	-40.25	337.32	10.27	-29.98
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012070691	0	36	0.0	-39.96	311.85	7.38	-32.58
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012070692	0	36	0.0	-34.71	313.50	7.49	-27.22
CN1N=NC2=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CC=C21	REAL300012070693	0	42	0.0	-41.11	345.62	7.26	-33.85
CC1(C)CC2=CC=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=C2O1	REAL300012070694	0	48	0.0	-27.39	373.61	9.84	-17.55
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012070695	0	42	0.0	-29.81	353.37	9.09	-20.72
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012070696	0	47	0.0	-35.62	361.04	10.10	-25.52
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012070697	0	44	0.0	-36.50	359.99	10.00	-26.50
CC1=C(Br)SC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070698	0	37	0.0	-32.79	330.30	9.16	-23.63
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012070699	0	42	0.0	-29.69	358.56	9.77	-19.92
CC1=NC2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=C2C=C1	REAL300012070700	0	45	0.0	-39.02	360.04	9.65	-29.37
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=C2)C=C1	REAL300012070701	0	52	0.0	-39.85	416.73	11.01	-28.84
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012070702	0	39	0.0	-32.93	318.02	7.82	-25.11
CC1=CC(C2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=C2)=CC(C)=C1	REAL300012070703	0	53	0.0	-38.19	416.89	13.65	-24.54
CC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012070704	0	46	0.0	-45.67	370.50	12.25	-33.42
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012070705	0	40	0.0	-36.21	335.93	9.42	-26.79
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012070706	0	44	0.0	-40.53	362.91	9.41	-31.12
COCC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070707	0	44	0.0	-34.79	355.21	8.47	-26.32
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070708	0	47	0.0	-34.08	391.51	10.94	-23.14
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012070709	0	51	0.0	-35.43	417.83	12.10	-23.33
CCCCOC1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070710	0	50	0.0	-29.15	393.16	10.61	-18.54
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012070711	0	48	0.0	-38.53	399.14	12.97	-25.56
CC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012070712	0	47	0.0	-30.24	373.29	9.48	-20.76
COC1=CC(C)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC	REAL300012070713	0	48	0.0	-35.43	370.40	8.37	-27.06
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070714	0	43	0.0	-42.98	363.38	9.60	-33.38
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070715	0	43	0.0	-32.04	360.62	6.95	-25.09
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070716	0	46	0.0	-46.19	379.21	8.76	-37.43
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012070717	0	41	0.0	-29.92	323.31	7.37	-22.55
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070718	0	41	0.0	-28.88	357.17	10.28	-18.60
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012070719	0	47	0.0	-39.82	390.39	10.62	-29.20
CC1CCC2=C(C1)SC(C[NH2+]C(CC1CCSC1)C(=O)[O-])=N2	REAL300012070720	1	46	0.0	-29.98	369.48	9.10	-20.88
CC(C)(C)C1CCC(C[NH2+]C(CC2CCSC2)C(=O)[O-])CC1	REAL300012070721	0	55	0.0	-35.82	381.20	10.92	-24.90
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070722	0	51	0.0	-36.47	401.08	11.51	-24.96
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070723	0	51	0.0	-33.48	399.60	11.43	-22.05
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070724	0	50	0.0	-36.33	394.80	9.67	-26.66
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012070725	0	48	0.0	-37.84	381.44	10.65	-27.19
COC1=CC(Cl)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1Cl	REAL300012070726	0	41	0.0	-31.15	358.37	9.03	-22.12
CC(C)CC1=NC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012070727	0	45	0.0	-33.89	368.02	8.91	-24.98
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012070728	0	40	0.0	-36.60	357.06	8.83	-27.77
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012070729	0	40	0.0	-34.46	356.34	8.71	-25.75
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])S2)O1	REAL300012070730	0	43	0.0	-36.41	366.02	8.55	-27.86
CC1=CC(Br)=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070731	0	40	0.0	-31.77	329.65	9.77	-22.00
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012070732	0	37	0.0	-36.93	334.68	9.94	-26.99
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012070733	0	44	0.0	-31.38	359.08	8.55	-22.83
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012070734	0	46	0.0	-31.17	371.26	10.30	-20.87
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012070735	0	40	0.0	-32.61	343.85	9.84	-22.77
COCCOC1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070736	0	48	0.0	-30.96	383.79	8.29	-22.67
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012070737	0	37	0.0	-33.61	329.39	9.77	-23.84
COC1=C(Br)C=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070738	0	41	0.0	-27.49	346.29	8.67	-18.82
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012070739	1	40	0.0	-30.89	330.57	8.09	-22.80
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012070740	0	44	0.0	-29.34	368.00	9.24	-20.10
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012070741	0	51	0.0	-28.92	407.28	11.44	-17.48
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012070742	0	48	0.0	-31.93	402.85	12.24	-19.69
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012070743	0	52	0.0	-31.25	421.14	9.92	-21.33
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070744	0	56	0.0	-35.71	425.78	12.77	-22.94
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012070745	0	44	0.0	-35.54	368.29	10.78	-24.76
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012070746	0	45	0.0	-35.99	365.39	8.65	-27.34
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012070747	0	43	0.0	-37.97	344.37	8.07	-29.90
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012070748	0	37	0.0	-31.94	318.63	9.29	-22.65
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012070749	0	44	0.0	-38.66	357.24	10.06	-28.60
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012070750	0	47	0.0	-37.96	395.41	11.01	-26.95
CC(C)(C)N1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=N1	REAL300012070751	0	46	0.0	-36.09	361.31	8.69	-27.40
CC(=O)NC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070752	0	44	0.0	-40.99	356.24	7.79	-33.20
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012070753	0	39	0.0	-38.05	328.36	9.42	-28.63
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012070754	0	39	0.0	-45.12	327.94	9.56	-35.56
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012070755	0	43	0.0	-30.23	337.29	10.76	-19.47
CN(C)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070756	0	45	0.0	-36.15	349.65	9.26	-26.89
CCN(CC)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070757	0	51	0.0	-35.91	394.99	11.22	-24.69
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012070758	0	37	0.0	-37.92	321.16	9.54	-28.38
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC(OC)=C1OC	REAL300012070759	0	49	0.0	-38.08	389.25	7.78	-30.30
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012070760	0	37	0.0	-30.57	316.71	9.09	-21.48
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012070761	0	41	0.0	-30.38	334.22	8.26	-22.12
COC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1OC	REAL300012070762	0	45	0.0	-29.89	358.95	8.00	-21.89
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012070763	0	37	0.0	-34.59	327.56	9.70	-24.89
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012070764	0	50	0.0	-38.42	383.87	7.74	-30.68
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC	REAL300012070765	0	45	0.0	-39.14	357.29	8.07	-31.07
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(OC)=C1	REAL300012070766	0	45	0.0	-28.79	353.92	7.28	-21.51
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012070767	0	40	0.0	-39.55	338.46	9.89	-29.66
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012070768	0	37	0.0	-38.59	311.08	8.85	-29.74
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012070769	0	37	0.0	-38.93	328.70	9.70	-29.23
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012070770	0	37	0.0	-37.11	330.46	9.84	-27.27
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070771	0	58	0.0	-36.97	448.46	13.97	-23.00
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012070772	0	41	0.0	-38.03	337.66	8.43	-29.60
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012070773	0	40	0.0	-36.92	324.88	9.68	-27.24
CCCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070774	0	50	0.0	-36.67	392.90	10.68	-25.99
CC(C)CCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070775	0	53	0.0	-36.63	410.46	11.20	-25.43
CCCCCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070776	0	56	0.0	-36.57	435.89	12.24	-24.33
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012070777	0	48	0.0	-36.73	388.56	11.77	-24.96
CCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(OCCC)=C1	REAL300012070778	0	57	0.0	-29.48	444.53	10.84	-18.64
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070779	0	44	0.0	-36.89	346.73	10.65	-26.24
CCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC	REAL300012070780	0	48	0.0	-38.95	379.15	8.99	-29.96
CC(C)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070781	0	46	0.0	-35.87	360.08	10.84	-25.03
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012070782	0	40	0.0	-33.00	336.07	9.66	-23.34
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(OC)=C1OC	REAL300012070783	0	49	0.0	-29.56	388.94	8.57	-20.99
CCOC1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070784	0	44	0.0	-29.37	350.17	9.03	-20.34
CCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070785	0	44	0.0	-38.21	351.09	9.11	-29.10
COC1=CC=C(Br)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070786	0	41	0.0	-31.97	346.78	8.63	-23.34
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC(Br)=C1O	REAL300012070787	0	42	0.0	-37.08	359.44	6.50	-30.58
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012070788	0	47	0.0	-38.13	373.94	12.30	-25.83
COC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012070789	0	47	0.0	-34.86	370.11	10.37	-24.49
CSC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070790	0	41	0.0	-37.24	340.08	9.94	-27.30
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012070791	0	37	0.0	-29.56	325.34	9.50	-20.06
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070792	0	49	0.0	-39.23	388.47	7.37	-31.86
CC1=CC(C)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=C1	REAL300012070793	0	46	0.0	-32.71	349.07	10.45	-22.26
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012070794	0	37	0.0	-33.70	309.39	8.77	-24.93
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012070795	0	37	0.0	-39.46	312.58	9.03	-30.43
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070796	0	47	0.0	-37.68	391.78	10.83	-26.85
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012070797	0	51	0.0	-34.16	411.41	12.04	-22.12
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1Br	REAL300012070798	0	37	0.0	-30.28	307.82	9.11	-21.17
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1O	REAL300012070799	0	42	0.0	-38.18	339.99	6.03	-32.15
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070800	0	40	0.0	-35.95	336.56	7.48	-28.47
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012070801	0	40	0.0	-45.44	341.95	8.06	-37.38
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012070802	0	49	0.0	-35.76	369.77	9.37	-26.39
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1I	REAL300012070803	0	37	0.0	-28.73	311.35	9.46	-19.27
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012070804	0	45	0.0	-36.10	377.33	7.95	-28.15
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012070805	0	54	0.0	-40.07	421.42	12.09	-27.98
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070806	0	49	0.0	-41.96	392.72	10.72	-31.24
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012070807	0	47	0.0	-35.10	379.85	10.63	-24.47
CCOC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1OC	REAL300012070808	0	48	0.0	-27.77	376.90	8.81	-18.96
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OCC(N)=O	REAL300012070809	0	49	0.0	-52.10	397.06	6.05	-46.05
C#CCOC1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070810	0	43	0.0	-28.15	352.10	9.46	-18.69
CCNC(=O)COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC	REAL300012070811	0	55	0.0	-47.46	439.30	8.31	-39.15
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC2=C1OCO2	REAL300012070812	0	44	0.0	-40.70	355.32	6.83	-33.87
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012070813	0	43	0.0	-40.74	355.71	8.75	-31.99
COC1=CC2=C(C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-])OC(C)C2	REAL300012070814	0	49	0.0	-33.34	385.31	8.71	-24.63
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012070815	0	53	0.0	-48.56	428.90	5.81	-42.75
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CS1	REAL300012070816	0	46	0.0	-36.20	379.32	8.62	-27.58
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1C	REAL300012070817	0	44	0.0	-37.16	351.21	8.85	-28.31
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070818	0	46	0.0	-34.59	344.66	7.98	-26.61
COC1=CC=CC(OC)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070819	0	45	0.0	-33.59	357.94	7.54	-26.05
COC1=CC=C(F)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070820	0	41	0.0	-30.25	331.35	7.99	-22.26
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(I)=C1	REAL300012070821	0	37	0.0	-31.60	325.12	9.76	-21.84
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(I)C=C1	REAL300012070822	0	37	0.0	-37.75	327.64	10.01	-27.74
CSC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012070823	0	38	0.0	-33.87	330.85	8.98	-24.89
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012070824	0	47	0.0	-37.87	380.22	9.41	-28.46
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070825	0	50	0.0	-31.12	386.33	12.42	-18.70
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012070826	0	40	0.0	-30.69	326.16	7.39	-23.30
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Cl)C=CS1	REAL300012070827	0	34	0.0	-27.52	301.82	8.17	-19.35
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070828	0	43	0.0	-45.21	360.56	6.43	-38.78
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012070829	0	47	0.0	-38.90	390.66	12.82	-26.08
COC1=CC=C(F)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070830	0	41	0.0	-32.71	331.89	8.08	-24.63
NC(=O)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070831	0	41	0.0	-42.00	333.08	5.65	-36.35
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1F	REAL300012070832	0	41	0.0	-40.81	335.60	8.28	-32.53
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070833	0	41	0.0	-32.13	342.21	8.52	-23.61
COC(=O)C1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CN1C	REAL300012070834	0	44	0.0	-35.94	359.57	8.93	-27.01
CC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1Cl	REAL300012070835	0	40	0.0	-38.60	334.01	9.98	-28.62
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1C	REAL300012070836	0	44	0.0	-37.12	347.99	8.89	-28.23
N#CC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(F)=C1	REAL300012070837	0	38	0.0	-45.53	328.05	9.21	-36.32
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012070838	0	50	0.0	-40.78	403.76	10.47	-30.31
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012070839	0	36	0.0	-31.02	315.08	7.51	-23.51
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012070840	0	46	0.0	-34.99	371.03	5.98	-29.01
C#CCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070841	0	46	0.0	-38.50	378.50	10.46	-28.04
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012070842	0	40	0.0	-32.78	325.76	9.23	-23.55
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=C12	REAL300012070843	0	45	0.0	-42.04	364.82	8.60	-33.44
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012070844	1	40	0.0	-38.08	337.71	8.18	-29.90
CCC1=NC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CS1	REAL300012070845	1	39	0.0	-30.15	326.83	7.20	-22.95
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012070846	0	40	0.0	-33.19	345.33	9.83	-23.36
CCOCC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OC	REAL300012070847	0	51	0.0	-34.85	403.32	9.10	-25.75
NC(=O)C1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070848	0	41	0.0	-36.86	334.69	5.52	-31.34
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012070849	0	40	0.0	-43.30	337.36	8.23	-35.07
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012070850	0	46	0.0	-34.00	389.68	8.19	-25.81
COC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1F	REAL300012070851	0	41	0.0	-28.78	331.19	7.95	-20.83
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012070852	0	37	0.0	-30.01	320.74	9.18	-20.83
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012070853	0	44	0.0	-34.07	346.81	10.87	-23.20
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC=C1Br	REAL300012070854	0	34	0.0	-35.10	309.49	8.32	-26.78
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070855	0	50	0.0	-29.11	391.77	10.52	-18.59
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012070856	1	43	0.0	-28.34	344.83	8.37	-19.97
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012070857	0	37	0.0	-38.07	329.34	9.49	-28.58
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012070858	0	42	0.0	-37.92	341.14	9.21	-28.71
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012070859	0	37	0.0	-37.56	316.89	9.20	-28.36
COC1=CC(F)=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070860	0	41	0.0	-37.59	334.32	8.21	-29.38
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012070861	0	37	0.0	-42.53	327.82	9.44	-33.09
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=N1	REAL300012070862	0	47	0.0	-39.54	371.49	8.87	-30.67
CS(=O)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070863	0	42	0.0	-43.54	352.08	7.51	-36.03
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012070864	0	47	0.0	-35.50	361.11	11.34	-24.16
COC(=O)C1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CN1	REAL300012070865	0	41	0.0	-34.86	339.00	7.10	-27.76
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=C1OC	REAL300012070866	0	48	0.0	-35.79	367.31	8.43	-27.36
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012070867	0	34	0.0	-27.38	318.31	8.66	-18.72
COC1=CC(C)=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070868	0	44	0.0	-27.76	345.88	8.65	-19.11
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012070869	0	36	0.0	-37.07	326.24	7.14	-29.93
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070870	0	43	0.0	-38.72	358.03	6.18	-32.54
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=CS1	REAL300012070871	0	34	0.0	-33.80	307.28	8.36	-25.44
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012070872	0	50	0.0	-35.25	382.57	12.06	-23.19
CC1=CC(Cl)=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070873	0	40	0.0	-35.32	337.87	10.05	-25.27
COCC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070874	0	44	0.0	-37.65	353.61	8.60	-29.05
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012070875	0	44	0.0	-34.60	355.28	10.49	-24.11
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012070876	0	44	0.0	-36.15	348.95	10.99	-25.16
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NC=C(Cl)S1	REAL300012070877	0	33	0.0	-37.18	300.63	6.49	-30.69
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012070878	0	47	0.0	-33.30	365.95	9.24	-24.06
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070879	0	47	0.0	-29.62	371.18	10.30	-19.32
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012070880	0	40	0.0	-37.94	330.72	9.74	-28.20
COC1=CC(C)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=N1	REAL300012070881	0	46	0.0	-34.72	357.40	6.53	-28.19
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070882	0	41	0.0	-32.25	339.11	8.59	-23.66
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070883	0	47	0.0	-33.75	358.13	9.18	-24.57
CC1=NC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012070884	0	47	0.0	-31.43	376.38	10.94	-20.49
CCCN1N=C(C)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1C	REAL300012070885	0	49	0.0	-35.19	383.90	9.25	-25.94
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012070886	0	42	0.0	-37.98	341.97	8.57	-29.41
COCCN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=N1	REAL300012070887	0	44	0.0	-41.31	356.43	6.56	-34.75
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012070888	0	47	0.0	-35.52	364.17	11.43	-24.09
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012070889	0	47	0.0	-37.52	372.88	10.45	-27.07
CCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1F	REAL300012070890	0	44	0.0	-38.11	356.13	9.17	-28.94
COC1=CC=CC2=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=CC=C12	REAL300012070891	0	47	0.0	-33.74	369.51	10.23	-23.51
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1C#N	REAL300012070892	0	42	0.0	-45.15	349.58	8.63	-36.52
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070893	0	47	0.0	-32.82	376.58	10.66	-22.16
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012070894	0	36	0.0	-38.36	324.13	7.04	-31.32
CC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1C#N	REAL300012070895	0	41	0.0	-41.00	338.78	9.62	-31.38
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012070896	0	44	0.0	-39.15	365.52	7.10	-32.05
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(Br)=C1	REAL300012070897	0	41	0.0	-34.36	342.11	8.55	-25.81
CC(C)CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=N1	REAL300012070898	0	46	0.0	-40.50	364.07	9.05	-31.45
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012070899	0	44	0.0	-32.38	337.48	10.58	-21.80
CC1=CC(Br)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012070900	0	37	0.0	-31.85	330.26	9.16	-22.69
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070901	0	52	0.0	-32.99	407.04	11.37	-21.62
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070902	0	47	0.0	-29.60	385.45	11.50	-18.10
CCC1=CN=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012070903	1	39	0.0	-36.64	326.97	7.45	-29.19
CN1C(=O)CCC2=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CC=C21	REAL300012070904	0	48	0.0	-44.59	376.42	9.81	-34.78
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070905	0	44	0.0	-33.27	356.65	8.96	-24.31
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012070906	0	43	0.0	-36.02	381.91	10.28	-25.74
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012070907	0	43	0.0	-38.27	369.72	10.00	-28.27
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070908	0	54	0.0	-32.10	424.31	12.17	-19.93
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012070909	0	48	0.0	-31.05	398.56	11.11	-19.94
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070910	0	46	0.0	-34.23	363.61	8.46	-25.77
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012070911	0	42	0.0	-38.58	357.05	9.72	-28.86
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012070912	0	46	0.0	-33.93	372.09	9.37	-24.56
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012070913	0	43	0.0	-38.56	373.35	9.99	-28.57
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012070914	0	40	0.0	-33.63	335.25	8.30	-25.33
CC(C)C1=NC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012070915	0	42	0.0	-32.68	346.31	7.97	-24.71
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012070916	0	40	0.0	-34.18	345.15	7.76	-26.42
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012070917	0	37	0.0	-37.13	334.68	9.94	-27.19
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012070918	0	49	0.0	-34.28	406.93	11.17	-23.11
CN1C=C(C2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=C2)C=N1	REAL300012070919	0	47	0.0	-40.35	378.66	10.18	-30.17
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012070920	0	40	0.0	-39.77	334.60	7.84	-31.93
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012070921	0	48	0.0	-40.04	393.51	11.77	-28.27
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012070922	0	47	0.0	-39.00	373.31	9.78	-29.22
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012070923	0	48	0.0	-42.54	387.69	10.11	-32.43
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])N1	REAL300012070924	0	45	0.0	-40.03	357.30	6.90	-33.13
NC(=O)C1=CSC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070925	0	38	0.0	-42.44	323.69	4.53	-37.91
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=N1	REAL300012070926	0	51	0.0	-40.39	408.50	11.16	-29.23
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070927	0	49	0.0	-34.49	382.40	9.06	-25.43
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012070928	0	43	0.0	-32.61	351.91	8.77	-23.84
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012070929	0	44	0.0	-36.20	364.21	6.96	-29.24
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])N=N1	REAL300012070930	0	46	0.0	-41.58	370.01	9.36	-32.22
CN1N=C(Br)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070931	0	37	0.0	-38.84	322.52	6.80	-32.04
CN1C=C(C2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])S2)C=N1	REAL300012070932	0	44	0.0	-38.38	374.12	9.42	-28.96
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012070933	0	49	0.0	-38.45	376.40	9.55	-28.90
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070934	0	44	0.0	-28.91	367.62	9.62	-19.29
CCC1=CC=CC(F)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070935	0	43	0.0	-36.38	340.24	10.08	-26.30
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012070936	0	37	0.0	-36.40	326.82	9.55	-26.85
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012070937	0	37	0.0	-34.57	317.11	6.66	-27.91
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070938	0	48	0.0	-32.52	380.26	9.65	-22.87
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012070939	0	41	0.0	-34.17	348.39	8.71	-25.46
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012070940	0	44	0.0	-32.78	355.12	9.45	-23.33
CC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012070941	0	50	0.0	-31.41	373.69	10.09	-21.32
CC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012070942	0	50	0.0	-28.57	393.13	10.21	-18.36
CC(C)C1=CN=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012070943	1	42	0.0	-30.03	348.30	8.04	-21.99
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012070944	0	47	0.0	-39.71	396.09	11.08	-28.63
CC1=CC(Br)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1Cl	REAL300012070945	0	40	0.0	-28.12	351.09	10.41	-17.71
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012070946	0	47	0.0	-33.92	399.42	10.72	-23.20
CC(C)(C)C1=CN=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012070947	1	45	0.0	-37.43	367.97	8.62	-28.81
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012070948	0	40	0.0	-35.26	336.28	8.24	-27.02
N#CCCN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012070949	0	50	0.0	-39.68	393.53	9.26	-30.42
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012070950	0	43	0.0	-37.94	360.69	12.51	-25.43
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070951	0	47	0.0	-36.08	378.19	9.25	-26.83
COCCCN1N=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070952	0	47	0.0	-33.27	373.04	7.09	-26.18
CC1=CC(F)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(Cl)=C1	REAL300012070953	0	40	0.0	-31.51	342.41	9.93	-21.58
COCCOCC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070954	0	51	0.0	-40.33	410.41	8.87	-31.46
CSCC1=CN=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012070955	1	40	0.0	-38.35	350.20	7.89	-30.46
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012070956	0	37	0.0	-38.46	319.06	8.73	-29.73
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012070957	0	43	0.0	-36.22	366.96	11.15	-25.07
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012070958	0	51	0.0	-46.88	421.84	11.25	-35.63
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012070959	0	44	0.0	-33.33	349.36	10.84	-22.49
N#CC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1F	REAL300012070960	0	38	0.0	-48.02	326.48	9.32	-38.70
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012070961	0	40	0.0	-40.08	339.33	7.99	-32.09
CC1=CC(F)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(F)=C1	REAL300012070962	0	40	0.0	-33.83	330.57	9.59	-24.24
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2CCSC2)C(=O)[O-])O1	REAL300012070963	0	47	0.0	-30.64	384.18	9.17	-21.47
CC(C)CN1N=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070964	0	46	0.0	-32.03	357.80	8.83	-23.20
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012070965	0	36	0.0	-34.99	327.35	7.94	-27.05
COC(=O)C1=C(C)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CN1	REAL300012070966	0	44	0.0	-34.09	354.91	7.68	-26.41
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])S2)C=C1C	REAL300012070967	0	49	0.0	-34.20	400.41	10.87	-23.33
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070968	0	47	0.0	-38.84	383.01	10.70	-28.14
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070969	0	47	0.0	-35.03	386.88	11.11	-23.92
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070970	0	50	0.0	-36.27	396.34	11.11	-25.16
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012070971	0	47	0.0	-40.49	375.16	10.82	-29.67
CC(C)C1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070972	0	46	0.0	-30.96	354.06	10.52	-20.44
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012070973	0	44	0.0	-32.09	343.38	8.06	-24.03
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012070974	0	43	0.0	-33.29	344.59	8.18	-25.11
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012070975	0	39	0.0	-35.40	321.39	7.52	-27.88
COC1=CC(OC)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1F	REAL300012070976	0	45	0.0	-38.41	365.47	7.54	-30.87
COC1=CC(F)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC	REAL300012070977	0	45	0.0	-31.04	360.60	7.91	-23.13
CC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(Cl)=C1	REAL300012070978	0	40	0.0	-35.69	334.93	9.91	-25.78
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070979	0	50	0.0	-36.51	396.46	11.11	-25.40
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(F)=C1	REAL300012070980	0	41	0.0	-36.68	330.31	7.96	-28.72
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012070981	0	44	0.0	-32.50	343.03	10.63	-21.87
COC1=CC=CC(F)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012070982	0	41	0.0	-35.18	332.02	8.24	-26.94
CCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=C1	REAL300012070983	0	50	0.0	-31.91	381.18	10.19	-21.72
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012070984	0	39	0.0	-37.07	328.44	8.37	-28.70
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012070985	0	40	0.0	-34.01	347.95	9.87	-24.14
CCC1=C2OC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CC2=CC=C1	REAL300012070986	0	46	0.0	-34.59	372.42	10.77	-23.82
C=CCCN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])N=N1	REAL300012070987	0	43	0.0	-33.12	351.32	7.39	-25.73
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012070988	0	44	0.0	-35.15	352.69	8.71	-26.44
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012070989	0	45	0.0	-44.24	367.58	9.81	-34.43
CCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=C1	REAL300012070990	0	47	0.0	-31.53	362.49	9.47	-22.06
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012070991	0	41	0.0	-30.75	340.65	8.33	-22.42
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012070992	0	41	0.0	-34.51	344.48	8.45	-26.06
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012070993	0	50	0.0	-35.56	382.64	12.05	-23.51
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2CCSC2)C(=O)[O-])C=N1	REAL300012070994	0	47	0.0	-34.83	361.79	7.53	-27.30
COCC1=CSC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012070995	0	41	0.0	-33.62	345.71	7.57	-26.05
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012070996	0	43	0.0	-43.32	342.12	7.40	-35.92
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012070997	0	43	0.0	-32.74	379.10	10.20	-22.54
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012070998	0	37	0.0	-33.63	327.96	8.81	-24.82
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012070999	0	37	0.0	-34.77	323.56	8.18	-26.59
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012071000	0	37	0.0	-29.13	323.43	8.83	-20.30
CN(C)C1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=CC(F)=C1F	REAL300012071001	0	45	0.0	-33.34	358.20	8.93	-24.41
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012071002	0	37	0.0	-32.69	323.62	9.32	-23.37
CC(C)OC1=CC(Cl)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1Cl	REAL300012071003	0	47	0.0	-29.13	395.50	10.59	-18.54
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012071004	0	49	0.0	-40.80	385.20	8.56	-32.24
CN(C)C1=CC(F)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1F	REAL300012071005	0	45	0.0	-30.61	362.76	8.18	-22.43
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071006	0	51	0.0	-42.20	400.54	10.47	-31.73
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012071007	0	37	0.0	-44.02	317.22	8.91	-35.11
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012071008	0	44	0.0	-38.14	369.86	9.10	-29.04
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC	REAL300012071009	0	49	0.0	-38.71	415.10	10.17	-28.54
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC1CC1	REAL300012071010	0	49	0.0	-39.86	388.33	9.74	-30.12
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071011	0	40	0.0	-38.37	341.86	7.47	-30.90
COCC(C)OC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071012	0	51	0.0	-40.28	401.45	9.12	-31.16
CCCC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012071013	0	43	0.0	-32.21	351.40	10.09	-22.12
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012071014	0	44	0.0	-38.24	365.77	11.46	-26.78
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012071015	0	50	0.0	-30.72	391.15	10.79	-19.93
CC(C)C1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071016	0	46	0.0	-31.89	357.56	10.59	-21.30
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(Cl)=N1	REAL300012071017	0	37	0.0	-37.46	315.72	6.85	-30.61
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012071018	0	44	0.0	-28.92	373.52	9.48	-19.44
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1C(C)(C)C	REAL300012071019	0	53	0.0	-36.29	402.30	10.79	-25.50
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012071020	0	50	0.0	-35.38	389.46	12.35	-23.03
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071021	0	45	0.0	-32.53	372.53	8.11	-24.42
CC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=NC=C1Br	REAL300012071022	0	39	0.0	-30.70	333.60	8.09	-22.61
CC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C(Br)C=C1F	REAL300012071023	0	40	0.0	-33.80	339.32	9.96	-23.84
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012071024	0	38	0.0	-32.15	326.31	6.57	-25.58
CN1C=C(C2=NC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CS2)C=N1	REAL300012071025	0	43	0.0	-42.36	369.67	7.32	-35.04
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1Cl	REAL300012071026	0	41	0.0	-39.02	344.08	8.72	-30.30
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012071027	0	47	0.0	-31.29	365.98	9.14	-22.15
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012071028	0	43	0.0	-35.29	360.95	8.71	-26.58
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012071029	0	43	0.0	-32.96	345.59	10.19	-22.77
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(Br)=N1	REAL300012071030	0	37	0.0	-36.32	319.77	6.91	-29.41
CC(=O)NC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071031	0	44	0.0	-42.47	356.29	7.65	-34.82
CN1N=CC2=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CN=C21	REAL300012071032	0	42	0.0	-40.20	344.45	7.87	-32.33
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012071033	0	36	0.0	-32.87	320.44	7.51	-25.36
COC1=CC(Cl)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC	REAL300012071034	0	45	0.0	-30.66	370.75	8.41	-22.25
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012071035	0	43	0.0	-38.80	359.52	10.65	-28.15
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071036	0	57	0.0	-37.31	448.04	9.19	-28.12
CN1N=C2CCCCC2=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071037	0	47	0.0	-35.67	365.45	8.95	-26.72
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C(C)N1	REAL300012071038	0	50	0.0	-35.12	398.88	9.27	-25.85
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012071039	0	36	0.0	-38.68	314.93	7.36	-31.32
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012071040	0	47	0.0	-37.15	392.76	12.86	-24.29
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012071041	0	37	0.0	-42.61	331.52	9.45	-33.16
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Br)SC=C1	REAL300012071042	0	34	0.0	-32.22	307.90	8.39	-23.83
CCOC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C(F)C=C1OC	REAL300012071043	0	48	0.0	-30.78	382.46	8.82	-21.96
COC1=NC=C(Br)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071044	0	40	0.0	-30.67	347.20	6.12	-24.55
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012071045	0	43	0.0	-33.40	343.86	10.83	-22.57
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CN=C1Br	REAL300012071046	0	36	0.0	-34.49	303.01	7.22	-27.27
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C(F)C=C1Br	REAL300012071047	0	41	0.0	-38.68	354.56	8.74	-29.94
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012071048	0	37	0.0	-38.90	332.92	9.80	-29.10
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012071049	0	41	0.0	-28.16	347.39	8.55	-19.61
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071050	0	47	0.0	-31.30	374.57	9.73	-21.57
CCOC1=CC(F)=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071051	0	44	0.0	-36.65	356.54	9.02	-27.63
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012071052	0	51	0.0	-42.57	395.87	9.92	-32.65
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012071053	0	41	0.0	-39.21	340.01	8.24	-30.97
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071054	0	50	0.0	-31.39	377.94	9.81	-21.58
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071055	0	40	0.0	-34.19	325.73	9.69	-24.50
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C(F)C=C1C	REAL300012071056	0	44	0.0	-34.51	350.37	8.71	-25.80
CC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=C1Br	REAL300012071057	0	43	0.0	-31.86	351.29	10.43	-21.43
CC1=CC=NC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1Br	REAL300012071058	0	39	0.0	-29.44	327.95	7.87	-21.57
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071059	0	54	0.0	-38.56	420.62	9.11	-29.45
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012071060	0	47	0.0	-30.89	388.42	9.93	-20.96
CC(C)(C)C1=CSC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=N1	REAL300012071061	1	45	0.0	-30.01	365.74	8.47	-21.54
COCCC1=NC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012071062	0	43	0.0	-35.85	362.02	6.53	-29.32
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012071064	1	38	0.0	-30.99	333.47	6.52	-24.47
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012071065	1	38	0.0	-31.57	318.58	5.97	-25.60
CN1N=C2CCSCC2=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071066	0	45	0.0	-34.91	362.24	8.35	-26.56
CCN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012071067	0	50	0.0	-34.96	383.33	10.97	-23.99
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012071068	0	45	0.0	-31.41	343.16	8.59	-22.82
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1C	REAL300012071069	0	53	0.0	-32.80	401.84	10.06	-22.74
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012071070	0	39	0.0	-43.91	327.63	9.46	-34.45
CC1=C(Br)C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012071071	0	37	0.0	-33.34	332.75	9.24	-24.10
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012071072	0	47	0.0	-37.84	389.35	12.77	-25.07
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012071073	0	42	0.0	-36.07	336.25	8.99	-27.08
CCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1C	REAL300012071074	0	50	0.0	-37.72	392.66	10.66	-27.06
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012071075	0	41	0.0	-39.62	334.45	7.26	-32.36
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012071076	0	51	0.0	-38.83	410.99	9.71	-29.12
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071077	0	44	0.0	-32.95	355.51	9.05	-23.90
CC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071078	0	40	0.0	-30.81	342.39	10.03	-20.78
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012071079	0	42	0.0	-35.25	334.65	9.68	-25.57
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071080	0	45	0.0	-36.91	355.81	10.43	-26.48
COC1=CC=C(CN2C=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])N=N2)C=C1	REAL300012071081	0	50	0.0	-36.50	406.45	8.37	-28.13
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(F)=C1OC	REAL300012071082	0	45	0.0	-43.47	368.23	8.07	-35.40
COC(=O)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(F)=C1	REAL300012071083	0	43	0.0	-41.08	355.57	9.33	-31.75
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012071084	0	47	0.0	-42.83	386.37	9.26	-33.57
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012071085	0	51	0.0	-40.49	411.00	12.17	-28.32
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012071086	0	44	0.0	-30.12	359.33	9.24	-20.88
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012071087	0	36	0.0	-31.04	310.51	7.40	-23.64
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071088	0	53	0.0	-35.95	413.90	11.87	-24.08
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071089	0	44	0.0	-38.37	348.38	10.17	-28.20
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(CCF)N=C1	REAL300012071090	0	40	0.0	-38.37	330.67	7.69	-30.68
CCCC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071092	0	46	0.0	-35.41	362.93	11.09	-24.32
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012071093	0	43	0.0	-31.32	380.36	10.04	-21.28
COC1=CC=C(C2=NC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CS2)C=C1	REAL300012071094	0	47	0.0	-33.43	395.92	8.93	-24.50
CC1=C2C=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=NC2=NN1	REAL300012071096	0	42	0.0	-50.48	344.70	7.33	-43.15
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071097	0	45	0.0	-43.19	373.73	5.45	-37.74
CN1N=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C2=CC=CC=C21	REAL300012071098	0	43	0.0	-32.49	348.73	8.65	-23.84
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012071099	0	40	0.0	-36.44	323.20	7.25	-29.19
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012071099	1	40	0.0	-33.43	328.72	7.44	-25.99
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071100	0	37	0.0	-39.33	333.60	8.02	-31.31
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012071101	0	42	0.0	-37.66	336.55	9.01	-28.65
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012071102	0	43	0.0	-35.97	342.79	9.60	-26.37
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071103	0	57	0.0	-36.44	421.65	10.99	-25.45
CCC1=NC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012071104	0	39	0.0	-33.09	325.53	7.37	-25.72
COC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])SC=C1	REAL300012071105	0	38	0.0	-28.73	316.43	7.04	-21.69
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012071106	0	43	0.0	-38.45	352.50	6.86	-31.59
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC=C1Cl	REAL300012071107	0	34	0.0	-36.17	306.30	8.22	-27.95
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012071108	0	42	0.0	-33.04	355.40	7.94	-25.10
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012071109	0	48	0.0	-32.18	396.47	9.22	-22.96
CCCC(C[NH2+]C(CC1CCSC1)C(=O)[O-])C1=CC=CC=C1	REAL300012071110	0	49	0.0	-32.64	378.54	11.44	-21.20
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012071111	0	42	0.0	-33.50	352.30	9.79	-23.71
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012071112	0	37	0.0	-38.39	331.01	9.04	-29.35
CN(C)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012071113	0	48	0.0	-36.30	375.51	10.04	-26.26
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071114	0	47	0.0	-37.61	383.09	11.42	-26.19
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071115	0	46	0.0	-34.03	389.96	10.48	-23.55
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012071116	0	56	0.0	-38.60	436.81	12.40	-26.20
CC(C)C1CCC(C[NH2+]C(CC2CCSC2)C(=O)[O-])CC1	REAL300012071117	0	52	0.0	-37.29	365.32	10.56	-26.73
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012071118	0	40	0.0	-40.65	360.05	10.08	-30.57
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012071119	0	40	0.0	-32.22	347.08	9.85	-22.37
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071120	0	48	0.0	-39.85	387.55	10.19	-29.66
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071121	0	51	0.0	-37.60	397.10	10.32	-27.28
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071122	0	47	0.0	-27.13	367.40	9.41	-17.72
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012071123	0	46	0.0	-37.26	374.23	10.40	-26.86
CN1N=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1Cl	REAL300012071124	0	37	0.0	-34.90	317.43	6.86	-28.04
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012071125	0	39	0.0	-37.02	324.28	6.30	-30.72
COC1=CC=C(N2C=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=N2)C=C1	REAL300012071126	0	48	0.0	-39.97	388.19	9.42	-30.55
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071127	0	52	0.0	-36.42	421.64	12.30	-24.12
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012071128	0	39	0.0	-34.72	338.20	6.70	-28.02
O=C([O-])C(CC1CCSC1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012071129	0	44	0.0	-35.82	348.54	11.01	-24.81
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NC=C1Br	REAL300012071130	0	36	0.0	-29.37	309.66	7.53	-21.84
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012071131	0	40	0.0	-44.24	353.23	5.42	-38.82
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012071132	0	57	0.0	-29.85	439.98	12.59	-17.26
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012071133	0	43	0.0	-33.36	347.46	9.42	-23.94
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(F)=C1	REAL300012071134	0	42	0.0	-35.73	356.06	3.62	-32.11
CC1=C(Br)C=NC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071136	0	39	0.0	-34.71	328.59	8.09	-26.62
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071137	0	40	0.0	-39.35	337.13	7.33	-32.02
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071138	0	44	0.0	-33.46	348.53	8.33	-25.13
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071139	0	47	0.0	-32.95	362.20	8.74	-24.21
CC1=C2C=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])NC2=CC=C1	REAL300012071140	0	44	0.0	-37.32	354.50	9.41	-27.91
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012071141	0	43	0.0	-36.38	350.38	7.86	-28.52
CC1=CC=C2C=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])NC2=C1	REAL300012071142	0	44	0.0	-35.99	353.42	9.34	-26.65
CCOC1=CN=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071143	0	43	0.0	-34.78	343.62	7.07	-27.71
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NC=C1Cl	REAL300012071144	0	36	0.0	-30.16	306.06	7.44	-22.72
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012071145	0	48	0.0	-32.88	369.92	7.20	-25.68
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012071146	0	40	0.0	-39.21	323.46	7.37	-31.84
CCC(F)(F)C(C)(C)C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071147	0	45	0.0	-40.49	338.05	9.23	-31.26
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012071148	0	41	0.0	-37.80	331.10	8.90	-28.90
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012071149	1	40	0.0	-45.21	331.39	6.21	-39.00
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012071150	0	39	0.0	-37.32	326.75	7.75	-29.57
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071151	0	46	0.0	-35.62	373.36	9.15	-26.47
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012071152	0	47	0.0	-45.49	370.77	6.08	-39.41
COC1=CN=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1C	REAL300012071153	0	43	0.0	-33.93	335.84	6.83	-27.10
CC1=CC(C)=C(C=CC[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=C1	REAL300012071154	0	50	0.0	-37.82	389.88	12.03	-25.79
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012071155	0	57	0.0	-38.44	438.57	7.73	-30.71
CC(C)(C)OC(=O)NC(C[NH2+]C(CC1CCSC1)C(=O)[O-])CC(F)F	REAL300012071156	0	53	0.0	-40.65	406.45	7.71	-32.94
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012071157	0	47	0.0	-46.28	376.27	6.54	-39.74
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071158	0	45	0.0	-29.66	354.92	8.70	-20.96
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012071159	0	42	0.0	-41.26	347.29	9.35	-31.91
CC1=CC(C)=C(C=CC[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1C	REAL300012071160	0	50	0.0	-35.40	387.05	11.75	-23.65
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071161	0	42	0.0	-45.46	354.04	3.87	-41.59
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012071162	0	46	0.0	-36.20	353.10	9.24	-26.96
CC1=NN(C)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1Cl	REAL300012071163	0	40	0.0	-37.08	339.23	7.39	-29.69
CN1C=CC(C2=NC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CS2)=N1	REAL300012071164	0	43	0.0	-35.93	371.25	7.29	-28.64
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012071165	0	50	0.0	-33.35	385.66	9.58	-23.77
CC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1Br	REAL300012071166	0	40	0.0	-25.46	330.80	9.74	-15.72
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012071167	0	48	0.0	-36.71	393.53	11.76	-24.95
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012071168	0	45	0.0	-37.84	352.11	9.47	-28.37
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071169	0	47	0.0	-34.83	369.94	8.53	-26.30
CCC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(Cl)=NN1	REAL300012071170	0	40	0.0	-37.76	331.64	7.05	-30.71
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012071171	0	41	0.0	-31.29	346.10	7.85	-23.44
CC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C2CCCCC2=N1	REAL300012071172	0	49	0.0	-35.71	373.83	9.99	-25.72
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012071173	0	52	0.0	-31.74	391.29	10.74	-21.00
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012071174	0	36	0.0	-32.88	327.29	6.92	-25.96
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012071175	0	40	0.0	-40.49	337.61	9.80	-30.69
COC(=O)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1C	REAL300012071176	0	46	0.0	-42.17	370.57	10.08	-32.09
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=C1	REAL300012071177	0	44	0.0	-31.79	340.63	8.54	-23.25
CC1=C(Cl)C=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1Cl	REAL300012071178	0	40	0.0	-28.55	345.66	10.20	-18.35
N#CC1=CC=C(Br)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071179	0	38	0.0	-33.38	336.40	9.71	-23.67
CC1CC2=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CC=C2O1	REAL300012071180	0	45	0.0	-37.66	355.29	9.42	-28.24
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012071181	0	40	0.0	-32.37	328.07	6.12	-26.25
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012071182	0	42	0.0	-30.36	335.71	8.75	-21.61
CSCC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071183	0	44	0.0	-38.07	365.98	10.80	-27.27
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012071184	0	47	0.0	-36.81	372.11	9.66	-27.15
CN1N=C2CCOCC2=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071185	0	45	0.0	-35.94	353.15	6.29	-29.65
CN1N=C2CCCC2=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071186	0	44	0.0	-36.79	348.36	8.29	-28.50
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012071187	0	44	0.0	-33.29	348.94	8.54	-24.75
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012071188	0	44	0.0	-40.61	348.03	8.70	-31.91
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071189	0	50	0.0	-28.56	399.24	10.21	-18.35
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071190	0	47	0.0	-32.76	384.67	9.69	-23.07
COC1=CC=C(C)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071191	0	44	0.0	-35.37	344.48	8.64	-26.73
CN1C=NC2=CC=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=C21	REAL300012071192	0	43	0.0	-34.66	334.71	9.87	-24.79
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071193	0	47	0.0	-43.34	370.69	8.75	-34.59
CC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=C1C	REAL300012071194	0	46	0.0	-32.41	349.02	10.44	-21.97
CCNC(=O)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071195	0	47	0.0	-42.04	377.82	8.04	-34.00
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071196	0	49	0.0	-30.80	350.86	10.84	-19.96
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012071197	0	47	0.0	-39.83	357.65	9.22	-30.61
COC1=CC=C2SC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CC2=C1	REAL300012071198	0	44	0.0	-36.94	367.10	9.57	-27.37
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071199	0	53	0.0	-41.61	411.12	10.63	-30.98
CCN1CCC2=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CC=C21	REAL300012071200	0	49	0.0	-36.47	377.71	9.47	-27.00
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071201	0	50	0.0	-41.51	391.41	9.73	-31.78
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=NN1C(C)C	REAL300012071202	0	46	0.0	-38.07	363.11	8.51	-29.56
CSC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1Cl	REAL300012071203	0	41	0.0	-37.23	355.09	10.38	-26.85
CC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1C1CC1	REAL300012071204	0	47	0.0	-35.90	368.66	11.43	-24.47
CCOC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=N1	REAL300012071205	0	43	0.0	-41.04	347.49	6.51	-34.53
CC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1C1CC1	REAL300012071206	0	47	0.0	-35.40	366.16	11.51	-23.89
CC1=NN(C2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C(C)=C2)C=C1	REAL300012071207	0	50	0.0	-35.44	392.01	10.94	-24.50
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012071208	0	43	0.0	-39.46	371.06	10.79	-28.67
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071209	0	47	0.0	-33.86	386.68	10.93	-22.93
CCC1=CC(Br)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012071210	0	40	0.0	-26.77	349.35	9.85	-16.92
CC1=NN(C2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=C2)C=C1Cl	REAL300012071211	0	47	0.0	-43.18	395.33	11.13	-32.05
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])O2)N1	REAL300012071212	0	44	0.0	-38.08	370.23	7.62	-30.46
COCCOC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])O1	REAL300012071213	1	45	0.0	-36.82	370.88	7.57	-29.25
CC(C)(C[NH2+]C(CC1CCSC1)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012071214	0	46	0.0	-38.68	367.90	11.18	-27.50
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071215	0	49	0.0	-35.02	383.23	9.21	-25.81
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NN(CCF)C=C1	REAL300012071216	0	40	0.0	-34.51	332.63	7.53	-26.98
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012071217	0	37	0.0	-36.16	336.81	9.84	-26.32
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=C1	REAL300012071218	0	53	0.0	-27.42	410.88	13.25	-14.17
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2CC2)=N1	REAL300012071219	0	44	0.0	-34.71	355.02	8.72	-25.99
COC1=CC=CC(C2=CSC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=N2)=C1	REAL300012071220	1	47	0.0	-32.82	392.51	8.99	-23.83
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071221	0	57	0.0	-40.47	446.44	9.33	-31.14
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071222	0	49	0.0	-44.52	395.05	8.18	-36.34
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012071223	0	54	0.0	-40.92	413.95	10.79	-30.13
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071224	0	44	0.0	-35.81	349.67	8.31	-27.50
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071225	0	47	0.0	-37.10	367.69	11.53	-25.57
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012071226	0	41	0.0	-27.51	353.55	7.58	-19.93
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012071227	1	47	0.0	-38.51	372.44	5.19	-33.32
COC1=NC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1F	REAL300012071228	0	40	0.0	-30.58	330.01	5.41	-25.17
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012071229	0	37	0.0	-28.64	332.31	9.65	-18.99
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012071230	0	37	0.0	-39.94	327.08	9.32	-30.62
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012071231	0	37	0.0	-37.76	317.56	8.70	-29.06
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012071232	0	49	0.0	-33.01	380.26	10.18	-22.83
CC1=C(C)SC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=N1	REAL300012071233	1	39	0.0	-30.49	325.44	7.37	-23.12
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012071234	0	46	0.0	-35.92	379.79	9.16	-26.76
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2CCSC2)C(=O)[O-])CC1	REAL300012071235	0	57	0.0	-47.48	423.57	9.93	-37.55
CC1=CC(Br)=CN=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071236	0	39	0.0	-30.32	330.91	8.06	-22.26
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012071237	0	43	0.0	-38.48	374.03	6.67	-31.81
CC1OC2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=C2C1C	REAL300012071238	0	48	0.0	-36.05	373.54	9.84	-26.21
CC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OC(F)F	REAL300012071239	0	44	0.0	-40.46	357.88	9.19	-31.27
CC1=NC(Cl)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1Br	REAL300012071240	0	39	0.0	-34.67	345.73	8.46	-26.21
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071241	0	49	0.0	-29.34	366.23	11.07	-18.27
CN1N=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012071242	0	43	0.0	-43.05	344.30	4.61	-38.44
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012071243	0	40	0.0	-37.98	337.90	6.59	-31.39
CC(C)CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])N=N1	REAL300012071244	0	45	0.0	-33.11	358.30	7.59	-25.52
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012071245	1	40	0.0	-37.85	334.62	7.97	-29.88
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012071246	0	37	0.0	-37.16	318.40	6.01	-31.15
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012071247	0	42	0.0	-35.77	334.40	8.72	-27.05
CN1C=C(Cl)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=N1	REAL300012071248	0	37	0.0	-34.06	319.61	6.94	-27.12
CS(=O)(=O)C1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=CS1	REAL300012071249	0	40	0.0	-31.11	343.96	5.73	-25.38
CSC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071250	0	41	0.0	-31.67	337.56	9.68	-21.99
CC(C)C1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])N(C)N=C1	REAL300012071251	0	46	0.0	-32.94	356.67	8.08	-24.86
CC1=C(Br)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C(C)S1	REAL300012071252	0	40	0.0	-35.07	348.71	9.87	-25.20
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012071253	0	47	0.0	-37.86	373.32	9.78	-28.08
CCCN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=N1	REAL300012071254	0	46	0.0	-35.55	362.01	8.65	-26.90
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012071255	0	39	0.0	-38.95	322.36	7.60	-31.35
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012071256	0	44	0.0	-31.22	365.37	10.99	-20.23
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012071257	0	45	0.0	-37.22	358.95	9.82	-27.40
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012071258	0	41	0.0	-35.26	346.80	8.46	-26.80
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012071259	0	43	0.0	-34.20	371.35	10.62	-23.58
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=C1	REAL300012071260	0	50	0.0	-37.41	391.50	11.64	-25.77
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=C2)C=N1	REAL300012071261	0	50	0.0	-43.11	396.14	12.45	-30.66
CNC(=O)C1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071262	0	44	0.0	-35.51	353.82	6.94	-28.57
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012071263	0	51	0.0	-35.06	393.37	12.87	-22.19
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071265	0	47	0.0	-36.26	378.11	7.86	-28.40
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012071266	0	43	0.0	-34.54	356.14	10.03	-24.51
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012071267	0	44	0.0	-35.75	347.26	7.64	-28.11
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071268	0	47	0.0	-34.50	375.34	9.75	-24.75
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071269	0	48	0.0	-34.24	371.54	9.23	-25.01
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012071270	0	40	0.0	-36.15	341.07	7.80	-28.35
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012071271	0	47	0.0	-30.29	371.16	10.77	-19.52
CN1C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=NC2=C1CCCC2	REAL300012071272	1	47	0.0	-30.26	363.98	9.64	-20.62
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071273	0	40	0.0	-29.79	339.98	5.86	-23.93
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012071274	0	40	0.0	-41.04	329.00	7.29	-33.75
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012071275	0	40	0.0	-28.84	332.14	9.49	-19.35
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012071276	0	45	0.0	-35.53	343.03	8.65	-26.88
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071277	0	44	0.0	-33.38	366.90	9.55	-23.83
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012071278	1	41	0.0	-29.41	335.73	5.96	-23.45
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012071279	0	44	0.0	-32.75	340.49	8.45	-24.30
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012071280	0	44	0.0	-33.76	345.92	9.65	-24.11
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012071281	0	39	0.0	-41.88	336.26	9.55	-32.33
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012071282	0	50	0.0	-35.80	383.06	9.90	-25.90
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012071283	0	44	0.0	-36.24	374.05	10.23	-26.01
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012071284	0	37	0.0	-33.97	330.46	9.53	-24.44
CN(CCO)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=N1	REAL300012071285	0	48	0.0	-37.51	379.72	6.31	-31.20
COC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012071286	0	53	0.0	-28.92	392.21	10.56	-18.36
CN1C=C(Br)N=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071287	0	37	0.0	-40.87	317.67	7.47	-33.40
COC1=CC(C)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=N1	REAL300012071288	0	43	0.0	-34.48	338.62	5.94	-28.54
COC1=CC(C)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1O	REAL300012071289	0	45	0.0	-38.04	355.21	6.47	-31.57
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012071290	0	43	0.0	-48.07	354.09	7.79	-40.28
CN1C(=O)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012071291	0	46	0.0	-44.73	362.79	9.40	-35.33
COC1=NC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1C	REAL300012071292	0	43	0.0	-31.26	346.09	6.12	-25.14
CC1=CC(C)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=C1Br	REAL300012071293	0	46	0.0	-31.86	366.19	10.94	-20.92
O=C([O-])C(CC1CCSC1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012071294	0	44	0.0	-42.00	355.65	8.82	-33.18
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012071295	0	50	0.0	-35.99	390.98	12.43	-23.56
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071296	0	47	0.0	-40.51	396.06	9.68	-30.83
CCC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=NN1CC	REAL300012071297	0	46	0.0	-30.70	356.48	8.57	-22.13
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012071298	0	37	0.0	-33.69	325.21	9.39	-24.30
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071299	0	54	0.0	-39.09	421.99	9.00	-30.09
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012071300	0	41	0.0	-34.59	339.66	8.14	-26.45
COC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=CS1	REAL300012071301	0	38	0.0	-34.58	320.35	7.15	-27.43
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012071302	0	40	0.0	-40.46	337.57	8.64	-31.82
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071303	0	43	0.0	-32.37	350.55	10.19	-22.18
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012071304	0	43	0.0	-36.17	363.07	9.52	-26.65
CN1C=C(C2=NNC=C2C[NH2+]C(CC2CCSC2)C(=O)[O-])C=N1	REAL300012071305	0	44	0.0	-34.90	335.69	6.04	-28.86
CCCN1N=C(C)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1Cl	REAL300012071306	0	46	0.0	-31.95	380.00	9.14	-22.81
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])S1	REAL300012071307	0	43	0.0	-34.28	366.85	8.07	-26.21
COC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071308	0	41	0.0	-32.40	352.46	8.83	-23.57
N#CC1=CC(F)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(Br)=C1	REAL300012071309	0	38	0.0	-33.78	339.79	9.54	-24.24
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012071310	0	37	0.0	-36.89	313.52	8.80	-28.09
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012071311	0	44	0.0	-37.33	364.11	11.29	-26.04
CC(C)(C)C1=NNC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071312	0	46	0.0	-35.65	362.11	7.56	-28.09
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012071313	0	43	0.0	-33.25	357.84	11.38	-21.87
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012071314	0	37	0.0	-41.15	340.06	9.85	-31.30
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012071315	0	54	0.0	-29.05	409.81	11.59	-17.46
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012071316	0	48	0.0	-38.68	405.15	12.24	-26.44
C=CCC1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071317	0	44	0.0	-29.87	343.39	10.48	-19.39
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012071318	0	57	0.0	-32.38	430.36	12.24	-20.14
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=C2)=C1	REAL300012071319	0	52	0.0	-42.17	416.60	10.99	-31.18
CCN1CCCC2=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=CC=C21	REAL300012071320	0	52	0.0	-36.56	388.67	9.90	-26.66
COCC1=CN=C(OC)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071321	0	47	0.0	-35.77	380.04	5.27	-30.50
CN1N=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1Br	REAL300012071322	0	37	0.0	-33.92	321.54	6.94	-26.98
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071323	0	52	0.0	-43.06	418.77	11.69	-31.37
COC1=C(Br)C=CC(F)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071324	0	41	0.0	-32.38	353.45	8.91	-23.47
COCC1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071325	0	44	0.0	-32.90	346.60	8.58	-24.32
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012071326	0	50	0.0	-36.34	409.12	13.44	-22.90
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012071327	0	41	0.0	-34.95	356.55	10.20	-24.75
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012071328	0	50	0.0	-35.69	390.54	9.34	-26.35
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012071329	0	45	0.0	-37.49	353.44	8.97	-28.52
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012071330	0	43	0.0	-35.54	357.01	10.73	-24.81
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012071331	0	43	0.0	-40.61	354.76	6.90	-33.71
COC1=CC=C(F)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1OC	REAL300012071332	0	45	0.0	-33.43	363.76	8.16	-25.27
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2CCSC2)C(=O)[O-])=N1	REAL300012071333	0	44	0.0	-28.41	356.61	6.68	-21.73
CC1=CC=C(F)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1Br	REAL300012071334	0	40	0.0	-30.65	336.85	9.83	-20.82
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012071335	0	60	0.0	-35.93	453.81	13.10	-22.83
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012071336	0	51	0.0	-38.46	398.00	11.20	-27.26
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071337	0	43	0.0	-37.55	340.71	10.27	-27.28
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OCCO	REAL300012071338	0	49	0.0	-42.58	391.84	5.95	-36.63
CCN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2CC2)=N1	REAL300012071339	0	47	0.0	-37.62	374.19	9.53	-28.09
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1OCCO	REAL300012071340	0	49	0.0	-42.41	390.38	5.88	-36.53
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012071341	0	47	0.0	-45.27	370.77	7.94	-37.33
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071342	0	45	0.0	-40.23	347.10	8.50	-31.73
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012071343	0	42	0.0	-38.51	341.14	9.21	-29.30
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012071344	0	56	0.0	-43.78	437.55	9.54	-34.24
CC1=CC2=CC=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=C2O1	REAL300012071345	0	43	0.0	-28.99	346.57	9.82	-19.17
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012071346	0	40	0.0	-27.72	329.60	9.67	-18.05
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012071347	0	44	0.0	-37.67	373.32	9.61	-28.06
COC1=CSC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1OC	REAL300012071348	0	42	0.0	-35.07	352.94	6.78	-28.29
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CON=C1C1CCC1	REAL300012071349	0	43	0.0	-37.46	344.89	8.82	-28.64
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012071350	0	46	0.0	-41.71	397.06	10.63	-31.08
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012071351	0	40	0.0	-28.99	338.34	7.72	-21.27
CS(=O)(=O)C1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])SC=C1	REAL300012071352	0	40	0.0	-36.79	320.18	5.05	-31.74
CS(=O)(=O)C1=COC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071353	0	40	0.0	-46.66	343.76	4.51	-42.15
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012071354	0	40	0.0	-40.81	343.10	9.76	-31.05
CC(C)OC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1F	REAL300012071355	0	47	0.0	-38.00	374.07	9.79	-28.21
CCN1C=C(Cl)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=N1	REAL300012071356	0	40	0.0	-32.04	337.29	7.69	-24.35
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012071357	0	37	0.0	-39.93	322.81	9.22	-30.71
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012071358	0	40	0.0	-38.88	330.58	9.70	-29.18
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012071359	0	43	0.0	-30.22	350.67	10.99	-19.23
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071360	0	40	0.0	-40.48	352.38	5.34	-35.14
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CSC(Cl)=C1	REAL300012071361	0	34	0.0	-33.37	307.17	8.30	-25.07
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=NN1C1CCC1	REAL300012071362	0	47	0.0	-35.85	363.98	9.10	-26.75
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012071363	0	44	0.0	-38.89	373.97	10.58	-28.31
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071364	0	50	0.0	-31.91	383.65	9.72	-22.19
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012071365	0	40	0.0	-35.94	334.30	7.42	-28.52
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071366	0	47	0.0	-37.63	380.91	9.41	-28.22
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012071367	0	40	0.0	-40.38	337.79	10.08	-30.30
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012071368	0	37	0.0	-32.67	338.47	9.89	-22.78
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012071369	0	36	0.0	-35.12	314.39	7.52	-27.60
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012071370	0	44	0.0	-39.48	363.65	10.12	-29.36
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071371	0	44	0.0	-28.46	351.17	6.75	-21.71
COC1=NC(C)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=C1Cl	REAL300012071372	0	46	0.0	-37.48	371.12	7.03	-30.45
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071373	0	46	0.0	-30.27	371.24	8.96	-21.31
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012071374	0	44	0.0	-31.67	347.00	8.41	-23.26
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012071375	0	40	0.0	-40.08	332.56	7.53	-32.55
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012071376	0	41	0.0	-35.97	347.55	8.26	-27.71
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071377	0	53	0.0	-33.64	404.48	10.38	-23.26
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012071378	0	48	0.0	-37.15	373.83	7.49	-29.66
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071379	0	51	0.0	-35.21	395.97	7.91	-27.30
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012071380	0	42	0.0	-29.20	358.36	9.80	-19.40
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012071381	0	47	0.0	-32.47	367.42	9.17	-23.30
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071382	0	39	0.0	-40.14	343.16	2.66	-37.48
O=C([O-])C(CC1CCSC1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012071383	0	36	0.0	-31.52	327.49	7.91	-23.61
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012071384	0	52	0.0	-48.37	405.88	8.40	-39.97
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071385	0	50	0.0	-33.78	385.50	9.78	-24.00
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012071386	0	40	0.0	-33.77	319.21	9.55	-24.22
CC1=CC(Br)=C(F)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071387	0	40	0.0	-29.73	345.33	10.04	-19.69
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012071388	0	37	0.0	-41.05	340.21	9.85	-31.20
COC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1Br	REAL300012071389	0	41	0.0	-28.29	345.05	8.64	-19.65
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012071390	0	40	0.0	-40.62	324.80	7.58	-33.04
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012071391	0	37	0.0	-42.78	327.10	9.35	-33.43
CN1C=C(C2=CC=CC(C[NH2+]C(CC3CCSC3)C(=O)[O-])=C2)C=N1	REAL300012071392	0	47	0.0	-37.80	380.27	10.04	-27.76
COC1=CC(F)=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1Br	REAL300012071393	0	41	0.0	-30.66	351.78	8.61	-22.05
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012071394	0	47	0.0	-47.44	385.12	11.27	-36.17
CC1=CC=C(Br)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071395	0	40	0.0	-33.03	332.44	9.86	-23.17
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071396	0	42	0.0	-31.70	346.08	8.42	-23.28
COC1=NC2=CC=C(C[NH2+]C(CC3CCSC3)C(=O)[O-])C=C2S1	REAL300012071397	0	43	0.0	-39.56	362.82	6.66	-32.90
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012071398	0	36	0.0	-42.62	316.22	7.64	-34.98
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012071399	0	37	0.0	-32.43	327.38	9.56	-22.87
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071400	0	39	0.0	-35.28	326.95	7.97	-27.31
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071401	0	53	0.0	-32.59	411.94	11.08	-21.51
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012071402	0	37	0.0	-34.97	338.30	9.78	-25.19
COC1=CC(Cl)=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071403	0	41	0.0	-37.58	345.97	8.70	-28.88
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012071404	0	40	0.0	-29.51	347.90	9.97	-19.54
COC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CC(F)=C1F	REAL300012071405	0	41	0.0	-45.03	341.75	8.32	-36.71
COC1=CC(C)=NC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071406	0	43	0.0	-31.11	342.59	6.87	-24.24
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071407	0	44	0.0	-46.43	346.76	6.59	-39.84
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2CC2)=NO1	REAL300012071408	0	43	0.0	-35.65	346.60	9.07	-26.58
COC(=O)C1=C(C)NC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1C	REAL300012071409	0	47	0.0	-37.08	383.84	8.41	-28.67
CC(C)OC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])O1	REAL300012071410	1	44	0.0	-33.19	354.70	8.95	-24.24
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071411	0	43	0.0	-34.61	354.81	10.52	-24.09
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012071412	0	38	0.0	-30.87	333.19	6.64	-24.23
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012071413	0	40	0.0	-29.85	335.87	7.69	-22.16
N#CC1=CC(F)=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071414	0	38	0.0	-42.58	328.90	9.26	-33.32
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012071415	0	53	0.0	-35.30	400.26	12.65	-22.65
COC1=CC=CC=C1C=CC[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071416	0	45	0.0	-36.10	358.19	9.38	-26.72
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])SC(Br)=C1	REAL300012071417	0	37	0.0	-32.95	326.59	9.00	-23.95
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071418	0	47	0.0	-32.09	364.10	8.99	-23.10
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=NN1CC(F)F	REAL300012071419	0	43	0.0	-35.28	354.06	8.13	-27.15
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012071420	0	45	0.0	-37.61	366.52	9.01	-28.60
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071421	0	46	0.0	-34.59	379.73	8.94	-25.65
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071422	0	49	0.0	-43.23	399.77	10.91	-32.32
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071423	0	44	0.0	-41.15	363.48	7.99	-33.16
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012071424	0	50	0.0	-37.89	402.66	13.37	-24.52
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071425	0	53	0.0	-40.08	418.21	10.12	-29.96
COC1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=N1	REAL300012071426	0	43	0.0	-35.05	342.25	6.02	-29.03
CCN(C)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C)=C1	REAL300012071427	0	51	0.0	-30.56	384.39	10.60	-19.96
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012071428	0	36	0.0	-34.10	324.61	7.86	-26.24
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012071429	0	34	0.0	-29.76	321.62	8.76	-21.00
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071430	0	58	0.0	-33.10	427.86	11.27	-21.83
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071431	0	48	0.0	-33.39	377.58	8.29	-25.10
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012071432	0	41	0.0	-38.26	360.58	9.21	-29.05
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012071433	0	47	0.0	-36.01	385.91	11.49	-24.52
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012071434	0	40	0.0	-38.42	336.65	10.25	-28.17
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012071435	0	46	0.0	-40.26	367.96	10.53	-29.73
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071436	0	59	0.0	-32.49	456.22	13.58	-18.91
CC1=NSC(C)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071437	0	39	0.0	-35.76	321.29	7.69	-28.07
CC(C)(C)C1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=NO1	REAL300012071438	0	45	0.0	-32.62	341.85	8.65	-23.97
CC1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1C(F)(F)F	REAL300012071439	0	43	0.0	-27.81	345.21	10.31	-17.50
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012071440	0	40	0.0	-43.92	324.66	7.55	-36.37
CCC(C)C1=CC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=C1	REAL300012071441	0	49	0.0	-35.90	378.40	11.48	-24.42
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012071442	0	39	0.0	-37.49	345.58	8.13	-29.36
O=C([O-])C(CC1CCSC1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012071443	0	42	0.0	-33.36	365.22	9.10	-24.26
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012071444	0	44	0.0	-30.08	361.11	7.39	-22.69
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071445	0	50	0.0	-39.04	397.00	11.20	-27.84
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=N1	REAL300012071446	0	42	0.0	-32.73	347.91	8.68	-24.05
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012071447	0	37	0.0	-36.09	328.41	9.35	-26.74
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012071448	0	37	0.0	-31.62	340.86	9.85	-21.77
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012071449	0	47	0.0	-32.24	355.28	11.28	-20.96
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012071450	0	39	0.0	-41.00	351.14	10.10	-30.90
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071451	0	44	0.0	-39.96	358.41	10.76	-29.20
COC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=CC(Br)=C1F	REAL300012071452	0	41	0.0	-36.63	353.67	8.72	-27.91
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012071453	0	40	0.0	-29.40	339.79	9.65	-19.75
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012071454	0	43	0.0	-49.27	352.10	8.80	-40.47
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012071455	0	46	0.0	-32.15	353.28	11.36	-20.79
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071456	0	55	0.0	-34.08	420.55	10.26	-23.82
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012071457	0	43	0.0	-35.92	362.96	11.62	-24.30
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071458	0	45	0.0	-28.85	357.18	8.03	-20.82
CC1=NC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C(C)S1	REAL300012071459	1	39	0.0	-39.06	327.11	7.23	-31.83
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012071460	0	50	0.0	-37.91	387.33	5.89	-32.02
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071461	0	49	0.0	-34.25	386.60	7.48	-26.77
CCCN1N=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1C	REAL300012071462	0	46	0.0	-36.13	360.99	8.48	-27.65
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012071463	0	54	0.0	-32.09	411.22	10.61	-21.48
O=C([O-])C(CC1CCSC1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012071464	0	51	0.0	-31.06	413.80	12.25	-18.81
CC1=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012071465	0	45	0.0	-37.57	355.09	9.89	-27.68
CC1=CC(C[NH2+]C(CC2CCSC2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012071466	0	46	0.0	-41.84	371.30	10.21	-31.63
COC(=O)C1=CN(C)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1	REAL300012071467	0	44	0.0	-33.84	357.71	8.74	-25.10
COC1=CC=C(Br)C(C[NH2+]C(CC2CCSC2)C(=O)[O-])=C1O	REAL300012071468	0	42	0.0	-35.90	352.24	6.42	-29.48
CCCN1N=C(C)C=C1C[NH2+]C(CC1CCSC1)C(=O)[O-]	REAL300012071469	0	46	0.0	-31.70	361.27	8.41	-23.29
CN1C=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])C(C2CCC2)=N1	REAL300012071470	0	47	0.0	-34.49	371.34	9.16	-25.33
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCSC2)C(=O)[O-])O1	REAL300012071471	1	45	0.0	-35.51	360.84	6.31	-29.20
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=C1	REAL300012071472	0	50	0.0	-74.95	383.35	12.07	-62.88
CC1=CC=C(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071473	0	50	0.0	-74.62	382.75	12.12	-62.50
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CC=CN=C4C=C3)C1)C2	REAL300012071474	0	49	0.0	-85.06	387.65	11.20	-73.86
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3CC4C=CC3C4)C1)C2	REAL300012071475	0	49	0.0	-74.32	363.29	11.36	-62.96
CC(C)(C)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071476	0	56	0.0	-76.77	422.39	13.16	-63.61
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CNN=C3C3=CC=CC=C3)C1)C2	REAL300012071477	0	51	0.0	-77.07	402.77	10.67	-66.40
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Br)O3)C1)C2	REAL300012071478	0	41	0.0	-80.49	348.65	9.71	-70.78
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071479	0	54	0.0	-81.70	424.97	12.64	-69.06
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1OC(F)F	REAL300012071480	0	52	0.0	-84.66	414.99	10.31	-74.35
CCOC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1OC	REAL300012071481	0	55	0.0	-82.43	427.09	10.95	-71.48
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3OCC3=CC=CC=C3)C1)C2	REAL300012071482	0	58	0.0	-71.47	456.44	14.18	-57.29
CCCCCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071483	0	60	0.0	-78.91	462.02	13.44	-65.47
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=CC([N+](=O)[O-])=C4)O3)C1)C2	REAL300012071484	0	53	0.0	-87.90	434.61	13.40	-74.50
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=C([N+](=O)[O-])C=C4)O3)C1)C2	REAL300012071485	0	53	0.0	-88.19	434.63	13.40	-74.79
CC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1C	REAL300012071486	0	50	0.0	-75.83	377.98	12.00	-63.83
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1C	REAL300012071487	0	50	0.0	-75.79	384.90	12.04	-63.75
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1Br	REAL300012071488	0	48	0.0	-82.00	396.41	10.80	-71.20
CC(C)OC1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071489	0	54	0.0	-70.84	414.42	11.75	-59.09
CCCCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OC	REAL300012071490	0	61	0.0	-81.95	470.09	12.54	-69.41
CCCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OC	REAL300012071491	0	58	0.0	-82.38	448.59	11.76	-70.62
C=CCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OC	REAL300012071492	0	56	0.0	-82.92	439.99	11.54	-71.38
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)O3)C1)C2	REAL300012071493	0	51	0.0	-80.97	423.17	13.25	-67.72
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=CC=C4Cl)O3)C1)C2	REAL300012071494	0	51	0.0	-79.93	423.28	13.29	-66.64
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(CC4=CC=CC=C4)N=C3)C1)C2	REAL300012071495	0	54	0.0	-80.22	430.73	12.50	-67.72
CCC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C2=CC=CC=C2O1	REAL300012071496	0	53	0.0	-80.57	415.93	12.75	-67.82
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=CC=C4[N+](=O)[O-])O3)C1)C2	REAL300012071497	0	53	0.0	-86.00	430.55	14.01	-71.99
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC(C4=CC=C(F)C=C4)=N3)C1)C2	REAL300012071498	0	50	0.0	-79.38	417.42	11.69	-67.69
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3OC(F)(F)F)C1)C2	REAL300012071499	0	48	0.0	-73.96	391.10	10.71	-63.25
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(SC(F)(F)F)C=C3)C1)C2	REAL300012071500	0	48	0.0	-82.76	402.57	12.31	-70.45
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C([N+](=O)[O-])C=C1O	REAL300012071501	0	51	0.0	-80.25	406.48	8.54	-71.71
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(Cl)=C1	REAL300012071502	0	48	0.0	-74.58	388.39	10.58	-64.00
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OC(F)(F)F)C=C3)C1)C2	REAL300012071503	0	48	0.0	-82.58	392.16	10.63	-71.95
N#CC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071504	0	45	0.0	-85.03	367.35	11.22	-73.81
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CNN=C3C3=CC=C(F)C=C3)C1)C2	REAL300012071505	0	51	0.0	-83.19	408.93	10.77	-72.42
CC1=CC=C(C2=NNC=C2C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071506	0	54	0.0	-79.75	423.80	11.36	-68.39
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CNN=C3C3=CC=CS3)C1)C2	REAL300012071507	0	48	0.0	-75.86	390.27	9.96	-65.90
COC1=CC=C(C2=NNC=C2C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071508	0	55	0.0	-81.73	431.95	9.98	-71.75
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC4=CC=CC=C34)C1)C2	REAL300012071509	0	47	0.0	-79.05	383.41	12.22	-66.83
CCOC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=NN1CC(C)C	REAL300012071510	0	63	0.0	-76.93	482.48	11.39	-65.54
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CC=CC=C4OC3)C1)C2	REAL300012071511	0	50	0.0	-80.97	392.22	11.34	-69.63
CC1=CC=C(C2=CC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)O2)C=C1	REAL300012071512	0	54	0.0	-79.58	427.85	13.41	-66.17
CC1=CC=C(C2=NNC=C2C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)O1	REAL300012071513	0	51	0.0	-76.36	407.59	9.95	-66.41
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CNN=C3C3=CC=CN=C3)C1)C2	REAL300012071514	0	50	0.0	-79.53	397.82	8.91	-70.62
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OCC4CCCO4)C=C3)C1)C2	REAL300012071515	0	59	0.0	-82.33	454.51	11.45	-70.88
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)S3)C1)C2	REAL300012071516	0	41	0.0	-78.67	353.76	10.56	-68.11
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=C(F)C=C4)S3)C1)C2	REAL300012071517	0	51	0.0	-79.37	420.78	13.69	-65.68
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=CC=CN=C43)C1)C2	REAL300012071518	0	49	0.0	-70.90	386.33	11.35	-59.55
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3OCC3=CC=CC=N3)C1)C2	REAL300012071519	0	57	0.0	-76.18	449.21	12.49	-63.69
COC1=NC2=CC=CC=C2C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071520	0	53	0.0	-80.69	417.03	9.86	-70.83
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(N4C=CC=N4)C=C3)C1)C2	REAL300012071521	0	51	0.0	-84.89	404.52	12.05	-72.84
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(N4C=NC=N4)C=C3)C1)C2	REAL300012071522	0	50	0.0	-87.77	399.45	13.37	-74.40
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=CC=C4F)S3)C1)C2	REAL300012071523	0	51	0.0	-77.50	423.69	13.79	-63.71
CCC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)O1	REAL300012071524	0	47	0.0	-76.95	370.31	10.58	-66.37
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(F)=CC=C3F)C1)C2	REAL300012071525	0	44	0.0	-76.59	358.14	10.94	-65.65
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(C(F)(F)F)=CC=C3Cl)C1)C2	REAL300012071526	0	47	0.0	-77.20	397.07	12.33	-64.87
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)C=C3Cl)C1)C2	REAL300012071527	0	44	0.0	-76.82	365.31	11.36	-65.46
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)C(Cl)=C3)C1)C2	REAL300012071528	0	44	0.0	-84.37	369.08	11.40	-72.97
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)C(C(F)(F)F)=C3)C1)C2	REAL300012071529	0	47	0.0	-87.19	390.81	11.89	-75.30
CCOC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071530	0	51	0.0	-77.81	397.85	11.06	-66.75
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1F	REAL300012071531	0	47	0.0	-79.27	373.21	11.55	-67.72
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Cl)=CC=C3Cl)C1)C2	REAL300012071532	0	44	0.0	-74.34	375.58	11.79	-62.55
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)C=C3C(F)(F)F)C1)C2	REAL300012071533	0	47	0.0	-84.16	381.46	11.97	-72.19
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(F)=C(F)C(F)=C3)C1)C2	REAL300012071534	0	44	0.0	-89.98	365.53	11.03	-78.95
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(F)=CC(C(F)(F)F)=C3)C1)C2	REAL300012071535	0	47	0.0	-84.96	392.00	11.93	-73.03
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(C(F)(F)F)=CC=C3F)C1)C2	REAL300012071536	0	47	0.0	-78.73	389.76	11.90	-66.83
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(Cl)=C1OC	REAL300012071537	0	52	0.0	-76.74	421.18	10.62	-66.12
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CC=CC=C4S3)C1)C2	REAL300012071538	0	47	0.0	-77.27	383.91	12.38	-64.89
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)C(F)=C3)C1)C2	REAL300012071539	0	44	0.0	-84.47	369.08	11.41	-73.06
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Cl)=CC=C3OC(F)F)C1)C2	REAL300012071540	0	48	0.0	-79.42	400.80	10.99	-68.43
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CNN=C3C3=CC=C4OCOC4=C3)C1)C2	REAL300012071541	0	54	0.0	-80.04	428.84	9.33	-70.71
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CN=C3Cl)C1)C2	REAL300012071542	0	43	0.0	-77.69	353.38	9.45	-68.24
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OCC4=CC=NC=C4)C=C3)C1)C2	REAL300012071543	0	57	0.0	-82.98	452.32	12.37	-70.61
CC(C)C1=NN(C)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071544	0	53	0.0	-80.12	411.41	10.48	-69.64
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071545	0	53	0.0	-77.57	426.27	10.78	-66.79
COCCOC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071546	0	55	0.0	-79.45	431.47	10.33	-69.12
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1Cl	REAL300012071547	0	48	0.0	-82.14	392.03	10.69	-71.45
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC(C4=CC=CC=N4)=N3)C1)C2	REAL300012071548	0	49	0.0	-80.35	406.46	9.77	-70.58
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071549	0	56	0.0	-83.60	427.58	12.42	-71.18
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(OCC(F)(F)F)=C3)C1)C2	REAL300012071550	0	51	0.0	-80.87	417.42	11.53	-69.34
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=C3OCCO4)C1)C2	REAL300012071551	0	50	0.0	-75.55	389.12	10.05	-65.50
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=C3OCCCO4)C1)C2	REAL300012071552	0	53	0.0	-78.05	406.32	10.86	-67.19
CCCN1C2=CC=CC=C2N=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071553	0	56	0.0	-83.90	436.75	12.86	-71.04
CCCOC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071554	0	54	0.0	-77.61	419.35	11.86	-65.75
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(C4=CC=CC=C4)=CS3)C1)C2	REAL300012071555	0	51	0.0	-78.94	412.25	13.43	-65.51
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(OC4CCCC4)=C3)C1)C2	REAL300012071556	0	58	0.0	-77.47	440.58	13.03	-64.44
CC(C)OC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071557	0	54	0.0	-77.50	415.77	11.69	-65.81
CC1=CC=C(C2=NC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CS2)C=C1	REAL300012071558	0	53	0.0	-77.42	432.42	12.30	-65.12
CC(C)C1=NC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CS1	REAL300012071559	0	49	0.0	-75.41	393.94	9.87	-65.54
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC(COC4=CC=CC=C4)=N3)C1)C2	REAL300012071560	0	54	0.0	-78.97	442.60	11.14	-67.83
CC(C)(C)C1=NC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CS1	REAL300012071561	0	52	0.0	-75.08	412.87	10.38	-64.70
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC(C4=CSC=C4)=N3)C1)C2	REAL300012071562	0	47	0.0	-75.11	402.09	10.57	-64.54
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=CC(F)=C4)S3)C1)C2	REAL300012071563	0	51	0.0	-78.79	420.77	13.68	-65.11
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071564	0	58	0.0	-73.76	453.27	11.71	-62.05
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3OC3CCCC3)C1)C2	REAL300012071565	0	58	0.0	-72.47	439.17	13.11	-59.36
CC1=CC=C(C2=CC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)S2)C=C1	REAL300012071566	0	54	0.0	-77.32	435.77	14.30	-63.02
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC([N+](=O)[O-])=CC=C3OC(F)F)C1)C2	REAL300012071567	0	50	0.0	-88.40	412.31	11.14	-77.26
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071568	0	48	0.0	-76.81	408.81	11.27	-65.54
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Br)=CC=C3Cl)C1)C2	REAL300012071569	0	44	0.0	-74.36	380.13	11.90	-62.46
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Cl)=CC=C3Br)C1)C2	REAL300012071570	0	44	0.0	-73.71	379.17	11.91	-61.80
CCOC1=C(OC)C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OC	REAL300012071571	0	59	0.0	-85.95	460.29	10.90	-75.05
COCCCOC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071572	0	58	0.0	-79.48	453.02	10.93	-68.55
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CN=C1Cl	REAL300012071573	0	46	0.0	-84.33	377.03	10.07	-74.26
COC1=CC=C(OC(F)F)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071574	0	52	0.0	-78.19	413.54	9.75	-68.44
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(Cl)C=CC=C3OC(F)F)C1)C2	REAL300012071575	0	48	0.0	-71.69	398.51	10.88	-60.81
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1OC1=CC=CN=C1	REAL300012071576	0	57	0.0	-81.43	451.79	12.71	-68.72
CC1=CC=C(C2=NC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)S2)C=C1	REAL300012071577	0	53	0.0	-78.88	432.95	12.55	-66.33
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)C1)C2	REAL300012071578	0	49	0.0	-73.63	402.97	11.87	-61.76
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)C4=CC=CN=C34)C1)C2	REAL300012071579	0	49	0.0	-75.87	391.60	11.40	-64.47
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(F)=CC4=CC=CN=C43)C1)C2	REAL300012071580	0	49	0.0	-74.71	392.67	11.43	-63.28
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)C4=CC=CN=C34)C1)C2	REAL300012071581	0	49	0.0	-75.08	400.45	11.79	-63.29
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=C(F)C=CC=C4F)O3)C1)C2	REAL300012071582	0	51	0.0	-80.67	420.93	12.90	-67.77
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)O1	REAL300012071583	0	54	0.0	-81.37	433.32	13.47	-67.90
CCC1=CC=C(C2=CC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)O2)C=C1	REAL300012071584	0	57	0.0	-79.43	449.33	14.18	-65.25
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(OC(F)F)=C1	REAL300012071585	0	52	0.0	-80.35	413.53	9.76	-70.59
COC1=CC=C2OC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CC2=C1	REAL300012071586	0	51	0.0	-82.55	403.52	10.65	-71.90
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC=CC3=CC=C(Cl)C=C3)C1)C2	REAL300012071587	0	48	0.0	-81.23	394.28	12.65	-68.58
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C2=CC=CC=C2O1	REAL300012071588	0	50	0.0	-80.72	394.46	11.96	-68.76
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=COC4=CC=CC=C34)C1)C2	REAL300012071589	0	47	0.0	-79.16	374.44	11.22	-67.94
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OC4=CC=CC=C4)O3)C1)C2	REAL300012071590	0	52	0.0	-82.22	412.98	12.62	-69.60
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1Br	REAL300012071591	0	47	0.0	-78.03	385.99	12.02	-66.01
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N=C1	REAL300012071592	0	46	0.0	-76.08	362.61	9.66	-66.42
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC=CC3=CC=C(F)C=C3F)C1)C2	REAL300012071593	0	48	0.0	-82.37	389.48	12.24	-70.13
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1Br	REAL300012071594	0	47	0.0	-80.57	385.98	12.02	-68.55
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NN(C4=CC=CC=C4)C=C3)C1)C2	REAL300012071595	0	51	0.0	-78.94	405.09	11.96	-66.98
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(Cl)SC=C3)C1)C2	REAL300012071596	0	41	0.0	-73.04	350.65	10.37	-62.67
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Cl)=CC4=C3OCC4)C1)C2	REAL300012071597	0	49	0.0	-75.42	398.71	11.19	-64.23
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=C(F)C=CC=C4N3)C1)C2	REAL300012071598	0	48	0.0	-82.72	384.92	10.86	-71.86
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CC=C(F)C=C4N3)C1)C2	REAL300012071599	0	48	0.0	-85.14	384.46	10.86	-74.28
CCOC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012071600	0	50	0.0	-79.14	395.19	8.44	-70.70
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC2=CC=CN=C12	REAL300012071601	0	52	0.0	-84.52	407.73	12.02	-72.50
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1Cl	REAL300012071602	0	47	0.0	-80.53	381.95	11.93	-68.60
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C4C=CSC4=C3)C1)C2	REAL300012071603	0	46	0.0	-83.93	378.40	10.33	-73.60
CCCC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071604	0	53	0.0	-76.07	410.88	13.05	-63.02
CCN(CC)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1F	REAL300012071605	0	58	0.0	-81.38	446.95	12.01	-69.37
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C(SC)C=C1OC	REAL300012071606	0	56	0.0	-75.81	440.88	10.98	-64.83
COC1=CC=C2N=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)SC2=C1	REAL300012071607	0	50	0.0	-79.46	407.82	9.66	-69.80
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071608	0	50	0.0	-85.58	410.19	11.71	-73.87
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1C#N	REAL300012071609	0	49	0.0	-90.53	396.21	10.55	-79.98
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(SC(F)F)C=C3)C1)C2	REAL300012071610	0	48	0.0	-80.88	395.99	12.11	-68.77
CC1=CC(Cl)=CC(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071611	0	50	0.0	-78.60	396.40	12.41	-66.19
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OC(F)F)C(F)=C3)C1)C2	REAL300012071612	0	48	0.0	-84.68	391.97	10.48	-74.20
CCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N=C1	REAL300012071613	0	50	0.0	-78.23	392.61	9.21	-69.02
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071614	0	50	0.0	-82.05	401.00	12.42	-69.63
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC(Cl)=C1OC	REAL300012071615	0	52	0.0	-85.12	425.23	10.68	-74.44
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OCC(C)C	REAL300012071616	0	61	0.0	-81.95	468.69	12.43	-69.52
CCCOC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1OC	REAL300012071617	0	58	0.0	-82.17	448.59	11.75	-70.42
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Br)S3)C1)C2	REAL300012071618	0	41	0.0	-78.71	358.39	10.67	-68.04
CCOC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC(Cl)=C1OC	REAL300012071619	0	55	0.0	-85.01	447.09	11.60	-73.41
C=CCOC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071620	0	52	0.0	-76.59	410.75	11.65	-64.94
COC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1OC(C)C	REAL300012071621	0	58	0.0	-73.58	444.70	11.86	-61.72
CCOC1=C(Cl)C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OC	REAL300012071622	0	55	0.0	-85.16	447.09	11.64	-73.52
CCCOC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=CC=C1OCC	REAL300012071623	0	61	0.0	-75.85	470.44	12.77	-63.08
CCCCOC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1OC	REAL300012071624	0	61	0.0	-82.28	470.09	12.54	-69.74
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OC(F)F	REAL300012071625	0	52	0.0	-80.77	415.00	10.32	-70.45
CCOC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1OC(F)F	REAL300012071626	0	55	0.0	-84.59	436.85	11.23	-73.36
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC(C)=C1OC(F)F	REAL300012071627	0	54	0.0	-80.20	423.76	11.83	-68.37
CCOC1=CC2=C(C=C1C[NH2+]C1CC3(C1)CC1(CC(C(=O)[O-])C1)C3)OC(C)C2	REAL300012071628	0	59	0.0	-73.17	453.55	11.73	-61.44
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC2=C1OCCO2	REAL300012071629	0	54	0.0	-84.28	420.22	9.87	-74.41
CCCCN1N=C(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1Cl	REAL300012071630	0	56	0.0	-76.02	449.12	11.89	-64.13
CCOC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1OC(F)F	REAL300012071631	0	55	0.0	-76.79	435.22	11.33	-65.46
CC1=CC(C)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1C	REAL300012071632	0	53	0.0	-75.80	399.98	12.58	-63.22
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=CC=C4)S3)C1)C2	REAL300012071633	0	51	0.0	-77.41	414.37	13.62	-63.79
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=CC(F)=C4F)O3)C1)C2	REAL300012071634	0	51	0.0	-84.41	421.12	12.91	-71.50
CC(C)(C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2)C1=CC=CC=C1	REAL300012071635	0	53	0.0	-77.60	394.58	12.53	-65.07
CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2CCCCC2)=N1	REAL300012071636	0	60	0.0	-80.01	453.37	12.38	-67.63
CC1CCC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)CC1	REAL300012071637	0	53	0.0	-75.36	388.37	11.78	-63.58
CC(CCC1=CC=CC=C1)C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071638	0	56	0.0	-76.87	425.53	13.70	-63.17
CCC1CCCC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C1	REAL300012071639	0	56	0.0	-75.71	406.59	12.41	-63.30
CC1(C)CCC2=C(C1)SC(C[NH2+]C1CC3(C1)CC1(CC(C(=O)[O-])C1)C3)=N2	REAL300012071640	0	56	0.0	-74.64	430.40	11.51	-63.13
CCC1=CC=CC(Cl)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071641	0	50	0.0	-70.76	396.28	12.48	-58.28
CC1=C(C)C=C2OC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CC2=C1	REAL300012071642	0	53	0.0	-80.71	412.35	12.57	-68.14
CCCC1CCC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)CC1	REAL300012071643	0	59	0.0	-75.14	428.10	13.18	-61.96
CC1CCCCC1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071644	0	53	0.0	-75.52	384.48	11.62	-63.90
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CNN=C3C3=CC=C(Cl)C=C3)C1)C2	REAL300012071645	0	51	0.0	-82.28	419.25	11.22	-71.06
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(N4C=CN=C4)C=C3)C1)C2	REAL300012071646	0	51	0.0	-86.87	402.13	13.23	-73.64
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=CC=C4F)O3)C1)C2	REAL300012071647	0	51	0.0	-81.10	414.83	12.84	-68.26
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Cl)=C4OCCOC4=C3)C1)C2	REAL300012071648	0	50	0.0	-82.57	407.00	10.55	-72.02
CCCCC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C2=CC=CC=C2O1	REAL300012071649	0	59	0.0	-81.43	458.95	14.29	-67.14
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071650	0	57	0.0	-83.25	449.99	13.00	-70.25
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Cl)=C4OCCCOC4=C3)C1)C2	REAL300012071651	0	53	0.0	-85.47	425.41	11.32	-74.15
COC1=CC=C(C)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071652	0	51	0.0	-71.88	395.72	10.86	-61.02
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1F	REAL300012071653	0	48	0.0	-84.17	382.22	10.21	-73.96
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3CCC(C(F)(F)F)CC3)C1)C2	REAL300012071654	0	53	0.0	-80.77	404.91	12.09	-68.68
CC(C)C1CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)CCO1	REAL300012071655	0	57	0.0	-78.23	416.36	10.96	-67.27
CC1(C)CCC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)CC1	REAL300012071656	0	56	0.0	-76.17	401.50	12.06	-64.11
CCSC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071657	0	51	0.0	-77.98	408.17	12.69	-65.29
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(O)C=CC(Cl)=C3F)C1)C2	REAL300012071658	1	45	0.0	-78.73	377.70	8.56	-70.17
COC1(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)CCCCC1	REAL300012071659	0	54	0.0	-73.71	389.53	10.18	-63.53
CCN1N=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C2=CC=CC=C21	REAL300012071660	0	53	0.0	-77.55	417.96	11.63	-65.92
COCCC1(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)CCCCC1	REAL300012071661	0	60	0.0	-75.94	424.87	11.04	-64.90
CCCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071662	0	54	0.0	-79.04	419.02	11.87	-67.17
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CC=CC=C4O3)C1)C2	REAL300012071663	0	47	0.0	-80.82	374.05	11.37	-69.45
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=CC=C4)O3)C1)C2	REAL300012071664	0	51	0.0	-79.71	406.45	12.73	-66.98
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1OC(C)C	REAL300012071665	0	58	0.0	-82.10	445.03	11.57	-70.53
CCCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OCC	REAL300012071666	0	61	0.0	-82.44	470.45	12.68	-69.76
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1[N+](=O)[O-]	REAL300012071667	0	49	0.0	-88.03	390.69	12.03	-76.00
CC(C)OC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071668	0	54	0.0	-79.02	415.44	11.70	-67.32
CCCCCCCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071669	0	66	0.0	-78.92	505.01	15.00	-63.92
CC(C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2)CC1=CC=C(C(C)(C)C)C=C1	REAL300012071670	0	65	0.0	-77.20	479.44	15.19	-62.01
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1F	REAL300012071671	0	47	0.0	-81.88	373.21	11.54	-70.34
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C4NC=CC4=CC=C3)C1)C2	REAL300012071672	0	48	0.0	-79.57	377.88	10.84	-68.73
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(Br)C=CS3)C1)C2	REAL300012071673	0	41	0.0	-71.49	356.19	10.48	-61.01
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3N3CCOCC3)C1)C2	REAL300012071674	0	57	0.0	-75.45	430.74	10.40	-65.05
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(F)=CC=C3Br)C1)C2	REAL300012071675	0	44	0.0	-74.43	368.82	11.47	-62.96
CC(C)CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071676	0	56	0.0	-76.17	427.31	13.53	-62.64
CC1=CC=C(C2=CC=CC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=C2)C=C1	REAL300012071677	0	57	0.0	-78.75	442.11	14.92	-63.83
COC1=CC=C(Br)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071678	0	48	0.0	-73.49	391.09	10.72	-62.77
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1[N+](=O)[O-]	REAL300012071679	0	50	0.0	-94.45	402.02	11.57	-82.88
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Cl)=CC(Cl)=C3)C1)C2	REAL300012071680	0	44	0.0	-81.14	379.99	11.86	-69.28
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(F)=CC(Cl)=C3)C1)C2	REAL300012071681	0	44	0.0	-82.76	369.67	11.43	-71.33
CC1=CC=CC(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071682	0	50	0.0	-75.71	379.68	11.90	-63.81
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Br)=CO3)C1)C2	REAL300012071683	0	41	0.0	-79.65	348.63	9.61	-70.04
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071684	0	57	0.0	-79.14	442.56	14.92	-64.22
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(OC(F)F)=C3)C1)C2	REAL300012071685	0	48	0.0	-81.58	385.75	10.42	-71.16
CCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OCC	REAL300012071686	0	58	0.0	-82.27	448.95	11.87	-70.40
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)C=C3F)C1)C2	REAL300012071687	0	44	0.0	-77.50	368.51	11.39	-66.11
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)C(C(F)(F)F)=C3)C1)C2	REAL300012071688	0	47	0.0	-86.14	398.39	12.25	-73.89
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)C=C3Br)C1)C2	REAL300012071689	0	44	0.0	-76.22	368.90	11.46	-64.76
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(OC(F)(F)F)=C3)C1)C2	REAL300012071690	0	48	0.0	-81.94	392.49	10.63	-71.31
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Cl)=CC=C3F)C1)C2	REAL300012071691	0	44	0.0	-75.92	368.47	11.38	-64.54
COC1=CC=CC=C1C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071692	0	58	0.0	-80.11	454.41	13.90	-66.21
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(F)=CC(F)=C3)C1)C2	REAL300012071693	0	44	0.0	-83.07	359.35	10.98	-72.09
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(Cl)=C3F)C1)C2	REAL300012071694	0	44	0.0	-78.24	367.26	11.37	-66.87
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C2=CC=CC=C12	REAL300012071695	0	54	0.0	-81.34	415.84	12.33	-69.01
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NNC=C3C3=CC=CC=C3)C1)C2	REAL300012071696	0	51	0.0	-74.15	403.58	10.77	-63.38
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(C4=CC=CC=C4)C=NN3)C1)C2	REAL300012071696	1	51	0.0	-77.73	404.76	10.75	-66.98
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(F)=C3F)C1)C2	REAL300012071697	0	44	0.0	-79.36	357.37	10.93	-68.43
CN1C2=CC=CC=C2N=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071698	0	50	0.0	-84.54	393.45	11.19	-73.35
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=N1	REAL300012071699	0	47	0.0	-82.53	373.57	7.54	-74.99
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C4OCCC4=C3)C1)C2	REAL300012071700	0	49	0.0	-80.99	382.42	10.69	-70.30
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC(Br)=C3)C1)C2	REAL300012071701	0	41	0.0	-79.12	358.18	10.53	-68.59
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(C4=CC=CC=C4)=C3)C1)C2	REAL300012071702	0	54	0.0	-78.92	420.71	14.24	-64.68
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3OCC3=CC=CN=C3)C1)C2	REAL300012071703	0	57	0.0	-74.88	451.25	12.40	-62.48
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(N4CCCC4)N=C3)C1)C2	REAL300012071704	0	55	0.0	-80.33	420.45	10.76	-69.57
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C4C=CNC4=CC=C3)C1)C2	REAL300012071705	0	48	0.0	-74.55	377.67	10.86	-63.69
CC1=CC(F)=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071706	0	47	0.0	-79.88	367.77	11.53	-68.35
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Br)C(F)=C3)C1)C2	REAL300012071707	0	44	0.0	-84.56	373.50	11.50	-73.06
CC1=NC(C)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012071708	0	46	0.0	-77.63	372.38	9.31	-68.32
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(C4=CC=CC=N4)=C3)C1)C2	REAL300012071709	0	53	0.0	-78.01	418.21	12.71	-65.30
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)C1)C2	REAL300012071710	0	53	0.0	-81.84	415.72	12.48	-69.36
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)C1)C2	REAL300012071711	0	53	0.0	-82.92	415.91	12.49	-70.43
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071712	0	59	0.0	-79.79	440.16	11.38	-68.41
CN1CCN(C2=CC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)C=C2)CC1	REAL300012071713	1	61	0.0	-77.79	455.74	9.54	-68.25
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OC4=CN=CC=N4)C=C3)C1)C2	REAL300012071714	0	53	0.0	-83.35	427.90	9.34	-74.01
CNC(=O)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071715	0	51	0.0	-89.53	402.66	9.12	-80.41
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(C4=CC=C(F)C=C4)N=C3)C1)C2	REAL300012071716	0	51	0.0	-85.00	411.74	12.12	-72.88
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(C4=CC=C(Cl)C=C4)N=C3)C1)C2	REAL300012071717	0	51	0.0	-84.41	422.06	12.57	-71.84
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OCC(F)(F)F)C=C3)C1)C2	REAL300012071718	0	51	0.0	-83.15	417.10	11.54	-71.61
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CC=CC=C4C=C3)C1)C2	REAL300012071719	0	50	0.0	-79.16	392.64	13.09	-66.07
COC1=C2OC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CC2=CC=C1	REAL300012071720	0	51	0.0	-80.73	403.57	10.65	-70.08
CC(C)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1[N+](=O)[O-]	REAL300012071721	0	55	0.0	-91.05	431.58	13.34	-77.71
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071722	0	60	0.0	-81.90	468.36	13.44	-68.46
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Br)=CC=C3F)C1)C2	REAL300012071723	0	44	0.0	-75.93	373.03	11.48	-64.45
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Br)C=C3F)C1)C2	REAL300012071724	0	44	0.0	-77.62	373.07	11.49	-66.13
COC1=CC(OC)=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071725	0	52	0.0	-78.49	405.53	9.46	-69.03
COC1=CC2=CC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)C=C2C=C1	REAL300012071726	0	54	0.0	-82.62	421.98	12.39	-70.23
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Br)=CS3)C1)C2	REAL300012071728	0	41	0.0	-78.14	357.86	10.58	-67.56
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071729	0	57	0.0	-82.26	443.87	12.95	-69.31
COC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1OC(F)F	REAL300012071730	0	52	0.0	-76.96	413.50	10.39	-66.57
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(CSC(F)F)O3)C1)C2	REAL300012071731	0	48	0.0	-80.23	406.72	11.42	-68.81
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CC=CC=C4NC3=O)C1)C2	REAL300012071732	0	50	0.0	-79.47	396.84	9.89	-69.58
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)C(Br)=C3)C1)C2	REAL300012071734	0	44	0.0	-84.25	373.50	11.49	-72.76
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(N4CCCCC4)C=C3)C1)C2	REAL300012071735	0	59	0.0	-76.85	439.46	12.12	-64.73
CCCCCCOC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071736	0	63	0.0	-77.50	483.84	14.21	-63.29
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1SC	REAL300012071737	0	52	0.0	-82.48	415.41	11.18	-71.30
N#CCCCOC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071738	0	55	0.0	-84.93	440.20	12.38	-72.55
CCC(C)OC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1OC	REAL300012071739	0	61	0.0	-82.10	465.79	12.37	-69.73
CCCCCCCOC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071740	0	66	0.0	-77.52	505.34	14.99	-62.53
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OCCCC#N	REAL300012071741	0	59	0.0	-92.36	469.44	12.27	-80.09
C=C(C)COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1OC	REAL300012071742	0	59	0.0	-82.96	459.41	12.31	-70.65
C=CCC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC(OC)=C1O	REAL300012071743	0	56	0.0	-82.27	441.39	9.99	-72.28
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(C4=CC=CC=C4)=NN3)C1)C2	REAL300012071744	0	51	0.0	-84.52	405.93	10.77	-73.75
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071745	0	53	0.0	-83.57	424.37	11.79	-71.78
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(C4=CC=CC=C4)N=N3)C1)C2	REAL300012071746	0	50	0.0	-84.74	399.11	10.67	-74.07
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NC(C4=CC=CC=C4)=CS3)C1)C2	REAL300012071747	0	50	0.0	-77.68	409.36	11.61	-66.07
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(N4CCOCC4)C(F)=C3)C1)C2	REAL300012071748	0	57	0.0	-83.33	440.54	9.97	-73.36
CN1C=NC2=CC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CC=C21	REAL300012071749	0	50	0.0	-80.87	394.88	12.18	-68.69
CCN1N=C(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1C	REAL300012071750	0	53	0.0	-80.38	408.84	10.44	-69.94
C=CCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1Cl	REAL300012071751	0	52	0.0	-82.46	426.78	12.20	-70.26
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(C4=CC=CC=C4)S3)C1)C2	REAL300012071752	0	50	0.0	-79.65	411.54	11.86	-67.79
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C2OC(C)CC2=C1	REAL300012071753	0	56	0.0	-73.77	432.74	10.70	-63.07
CC1(C)CC2=CC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CC=C2O1	REAL300012071754	0	55	0.0	-80.16	423.94	12.10	-68.06
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=COC(C4=CC=CC=C4)=N3)C1)C2	REAL300012071755	0	50	0.0	-80.11	402.86	9.27	-70.84
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC(C4=CC=CS4)=N3)C1)C2	REAL300012071756	0	47	0.0	-75.37	402.69	10.67	-64.70
CC1=CC=CC(C2=NNC=C2C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071757	0	54	0.0	-77.73	424.33	11.36	-66.37
CC1=CC=C(F)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071758	0	47	0.0	-74.95	372.11	11.55	-63.40
CC1=CC=C(F)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071759	0	47	0.0	-78.72	367.73	11.52	-67.20
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Cl)=CC(C(F)(F)F)=C3)C1)C2	REAL300012071760	0	47	0.0	-84.03	402.32	12.37	-71.66
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Br)C=C3Cl)C1)C2	REAL300012071761	0	44	0.0	-76.05	380.21	11.91	-64.14
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(Br)=C1	REAL300012071762	0	47	0.0	-71.54	383.90	12.06	-59.48
CC1=NC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071763	0	46	0.0	-79.21	357.05	9.58	-69.63
CC(C)COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071764	0	57	0.0	-78.76	439.13	12.57	-66.19
COCCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071765	0	55	0.0	-81.15	431.15	10.35	-70.80
CC1(C)CCCC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C1	REAL300012071766	0	56	0.0	-76.05	401.51	12.06	-63.99
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OC(F)F)C(Cl)=C3)C1)C2	REAL300012071767	0	48	0.0	-83.05	401.78	10.96	-72.09
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1Cl	REAL300012071768	0	54	0.0	-74.71	440.94	12.32	-62.39
CC1=CCCC(C)C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071769	0	54	0.0	-73.12	390.29	12.12	-61.00
COC1=CC2=C(C=C1C[NH2+]C1CC3(C1)CC1(CC(C(=O)[O-])C1)C3)OCO2	REAL300012071770	0	51	0.0	-78.00	400.60	8.86	-69.14
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=CC4=CC=CC=C43)C1)C2	REAL300012071771	0	49	0.0	-78.82	382.93	11.20	-67.62
CC(C)COC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071772	0	57	0.0	-77.34	439.45	12.56	-64.78
CC1=CC(Cl)=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071773	0	47	0.0	-78.76	378.10	11.97	-66.79
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC=CC3=CC=C(F)C=C3)C1)C2	REAL300012071774	0	48	0.0	-82.27	383.97	12.20	-70.07
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)N=C3)C1)C2	REAL300012071775	0	43	0.0	-85.09	358.24	9.48	-75.61
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=CC(Br)=C3)C1)C2	REAL300012071776	0	43	0.0	-82.64	362.70	9.67	-72.97
CN1N=NC2=CC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CC=C21	REAL300012071777	0	49	0.0	-87.94	390.48	9.29	-78.65
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3CCCCCC3)C1)C2	REAL300012071778	0	53	0.0	-75.60	378.71	11.61	-63.99
CC1(C)CC2=CC=CC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=C2O1	REAL300012071779	0	55	0.0	-72.44	423.74	12.04	-60.40
COC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012071780	0	47	0.0	-79.28	373.33	7.50	-71.78
CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2=CC=CC=C2)=N1	REAL300012071781	0	54	0.0	-77.31	425.90	12.01	-65.30
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(N4C=CC=N4)=C3)C1)C2	REAL300012071782	0	51	0.0	-81.39	404.85	12.03	-69.36
CC(C)N1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=N1	REAL300012071783	0	50	0.0	-78.27	389.52	10.03	-68.24
CC1=C(Br)SC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071784	0	44	0.0	-78.83	377.97	11.27	-67.56
CC1=NC2=CC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)C=C2C=C1	REAL300012071785	0	52	0.0	-83.82	409.23	11.81	-72.01
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NC=CC=C3C(F)(F)F)C1)C2	REAL300012071786	0	46	0.0	-70.49	370.06	9.92	-60.57
CC1=CC(C2=CC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)C=C2)=CC(C)=C1	REAL300012071787	0	60	0.0	-80.03	463.21	15.59	-64.44
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1N1C=NC=N1	REAL300012071788	0	53	0.0	-87.26	415.43	14.29	-72.97
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CC(F)=CC=C4O3)C1)C2	REAL300012071789	0	47	0.0	-83.31	380.46	11.44	-71.87
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OCC(F)F)C=C3)C1)C2	REAL300012071790	0	51	0.0	-83.72	410.54	11.38	-72.34
COCC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071791	0	51	0.0	-78.36	401.55	10.56	-67.80
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071792	0	54	0.0	-82.73	442.49	13.10	-69.63
CCCCOC1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071793	0	57	0.0	-70.80	439.43	12.72	-58.08
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(SC4=CC=CC=C4)C=C3)C1)C2	REAL300012071794	0	55	0.0	-82.86	446.76	14.94	-67.92
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C(OC(F)F)C=C1C	REAL300012071795	0	54	0.0	-75.84	422.72	11.69	-64.15
COC1=CC(C)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OC	REAL300012071796	0	55	0.0	-81.71	420.59	10.58	-71.13
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071797	0	50	0.0	-86.69	409.42	11.71	-74.98
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071798	0	50	0.0	-73.70	406.21	8.95	-64.75
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CNN=C3C3=CSC=C3)C1)C2	REAL300012071799	0	48	0.0	-76.96	393.24	9.69	-67.27
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(CC4=CC=C(F)C=C4)N=C3)C1)C2	REAL300012071800	0	54	0.0	-83.70	437.16	12.57	-71.13
CC1CCC2=C(C1)SC(C[NH2+]C1CC3(C1)CC1(CC(C(=O)[O-])C1)C3)=N2	REAL300012071801	0	53	0.0	-74.79	415.52	11.19	-63.60
CC(C)(C)C1CCC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)CC1	REAL300012071802	0	62	0.0	-76.02	429.30	12.92	-63.10
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071803	0	58	0.0	-74.58	448.47	13.63	-60.95
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071804	0	58	0.0	-75.06	448.42	13.60	-61.46
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C(C)O1	REAL300012071805	0	47	0.0	-76.11	368.33	10.45	-65.66
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071806	0	57	0.0	-78.83	443.62	11.86	-66.97
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OCC4CC4)C=C3)C1)C2	REAL300012071807	0	55	0.0	-79.53	429.22	12.65	-66.88
COC1=CC(Cl)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1Cl	REAL300012071808	0	48	0.0	-75.99	404.73	11.14	-64.85
CC(C)CC1=NC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012071809	0	52	0.0	-78.11	414.36	11.01	-67.10
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(C4=CC=CS4)S3)C1)C2	REAL300012071810	0	47	0.0	-80.41	403.10	10.94	-69.47
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(C4=CSC=C4)S3)C1)C2	REAL300012071811	0	47	0.0	-80.13	402.36	10.80	-69.33
CC1=CC=C(C2=NC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)S2)O1	REAL300012071812	0	50	0.0	-82.63	415.91	10.76	-71.87
CC1=CC(Br)=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071813	0	47	0.0	-78.89	382.66	12.07	-66.82
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)C(Br)=C3)C1)C2	REAL300012071814	0	44	0.0	-83.12	382.62	11.91	-71.21
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CNN=C3C3=CC=CC=C3F)C1)C2	REAL300012071815	0	51	0.0	-79.81	409.42	10.78	-69.03
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3F)C1)C2	REAL300012071816	0	53	0.0	-79.96	421.16	12.52	-67.44
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(Cl)OC4=CC=CC=C43)C1)C2	REAL300012071817	0	47	0.0	-78.20	390.30	11.80	-66.40
COCCOC1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071818	0	55	0.0	-71.78	430.06	10.39	-61.39
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)C=C3Br)C1)C2	REAL300012071819	0	44	0.0	-75.40	379.22	11.90	-63.50
COC1=C(Br)C=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071820	0	48	0.0	-75.17	396.50	10.88	-64.29
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NC4=C(CCC4)S3)C1)C2	REAL300012071821	0	47	0.0	-75.64	376.80	10.01	-65.63
CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2=CC=CS2)=N1	REAL300012071822	0	51	0.0	-75.40	413.16	11.27	-64.13
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071823	0	48	0.0	-79.42	375.67	10.14	-69.28
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=C(F)C=C4)O3)C1)C2	REAL300012071824	0	51	0.0	-81.55	412.85	12.80	-68.75
CC(C)(C)C1=NC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012071825	0	52	0.0	-76.90	413.37	10.63	-66.27
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C4OCCOC4=C3)C1)C2	REAL300012071826	0	50	0.0	-81.34	390.99	9.99	-71.35
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(Br)=C3)C1)C2	REAL300012071827	0	44	0.0	-79.83	367.78	11.45	-68.38
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(Cl)=C3)C1)C2	REAL300012071828	0	44	0.0	-79.72	363.22	11.35	-68.37
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(C4=CC=CC=C4)N=C3)C1)C2	REAL300012071829	0	51	0.0	-81.62	405.32	12.05	-69.57
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(CC4=CC=CC=C4Cl)N=C3)C1)C2	REAL300012071830	0	54	0.0	-82.92	443.36	12.98	-69.94
CC(C)(C)N1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=N1	REAL300012071831	0	53	0.0	-79.11	409.26	10.66	-68.45
CC1=CC(C)=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071832	0	50	0.0	-76.02	389.34	12.17	-63.85
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(CO)O3)C1)C2	REAL300012071833	0	45	0.0	-80.41	360.24	6.46	-73.95
CC(=O)NC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071834	0	51	0.0	-84.13	402.27	9.73	-74.40
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3Cl)C1)C2	REAL300012071835	0	44	0.0	-72.39	358.36	11.32	-61.07
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC([N+](=O)[O-])=C3)C1)C2	REAL300012071836	0	46	0.0	-90.44	374.71	11.51	-78.93
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C([N+](=O)[O-])C=C3)C1)C2	REAL300012071837	0	46	0.0	-93.33	374.38	11.51	-81.82
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=CC=CC=C43)C1)C2	REAL300012071838	0	50	0.0	-78.14	387.18	12.99	-65.15
CN(C)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071839	0	52	0.0	-76.25	397.30	11.23	-65.02
CCN(CC)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071840	0	58	0.0	-75.28	441.30	13.14	-62.14
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Br)C=C3)C1)C2	REAL300012071841	0	44	0.0	-81.21	367.46	11.46	-69.75
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)C=C3)C1)C2	REAL300012071842	0	44	0.0	-81.07	362.90	11.37	-69.70
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC(OC)=C1OC	REAL300012071843	0	56	0.0	-86.27	438.43	9.96	-76.31
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(F)C=CC=C3Cl)C1)C2	REAL300012071844	0	44	0.0	-70.35	365.55	11.27	-59.08
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)C=C3)C1)C2	REAL300012071845	0	44	0.0	-82.17	352.58	10.92	-71.25
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3OC(F)F)C1)C2	REAL300012071846	0	48	0.0	-76.21	384.33	10.48	-65.73
COC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1OC	REAL300012071847	0	52	0.0	-73.78	405.31	10.10	-63.68
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)C=C3Cl)C1)C2	REAL300012071848	0	44	0.0	-75.92	375.64	11.80	-64.12
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(N4CCOCC4)C=C3)C1)C2	REAL300012071849	0	57	0.0	-78.89	430.53	9.67	-69.22
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OC	REAL300012071850	0	52	0.0	-82.48	405.24	10.03	-72.45
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(OC)=C1	REAL300012071851	0	52	0.0	-74.52	403.80	9.50	-65.02
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C(F)(F)F)C=C3)C1)C2	REAL300012071852	0	47	0.0	-84.05	384.90	11.84	-72.21
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)C=C3F)C1)C2	REAL300012071853	0	44	0.0	-78.27	358.18	10.94	-67.33
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(Cl)=C3Cl)C1)C2	REAL300012071854	0	44	0.0	-76.37	373.58	11.76	-64.61
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)C(Cl)=C3)C1)C2	REAL300012071855	0	44	0.0	-83.21	378.41	11.81	-71.40
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OC(F)F)C=C3)C1)C2	REAL300012071856	0	48	0.0	-81.34	385.42	10.43	-70.91
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3C(F)(F)F)C1)C2	REAL300012071857	0	47	0.0	-79.61	375.06	11.91	-67.70
CCCCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071858	0	57	0.0	-79.03	440.52	12.65	-66.38
CC(C)CCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071859	0	60	0.0	-78.95	458.09	13.18	-65.77
CCCCCCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071860	0	63	0.0	-79.01	483.52	14.22	-64.79
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(OC4=CC=CC=C4)=C3)C1)C2	REAL300012071861	0	55	0.0	-81.10	435.23	13.68	-67.42
COC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071862	0	48	0.0	-78.02	375.99	10.14	-67.88
CC(=CC1=CC=CC=C1)C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071863	0	51	0.0	-76.99	394.16	12.61	-64.38
CCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OC	REAL300012071864	0	55	0.0	-82.33	427.09	10.95	-71.38
CC(C)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071865	0	53	0.0	-76.33	406.41	12.78	-63.55
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(C(F)(F)F)=C3)C1)C2	REAL300012071866	0	47	0.0	-82.51	385.22	11.83	-70.68
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(OC)=C1OC	REAL300012071867	0	56	0.0	-77.72	432.81	9.86	-67.86
CCOC1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071868	0	51	0.0	-70.72	396.50	11.13	-59.59
CCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071869	0	51	0.0	-79.59	397.52	11.07	-68.52
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3F)C1)C2	REAL300012071870	0	44	0.0	-73.87	351.04	10.89	-62.98
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(F)=C3)C1)C2	REAL300012071871	0	44	0.0	-80.82	352.90	10.91	-69.91
COC1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071872	0	48	0.0	-71.14	374.60	10.22	-60.92
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)SC=C1	REAL300012071873	0	44	0.0	-74.00	355.28	10.52	-63.48
COC1=CC=C(Br)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071874	0	48	0.0	-74.20	395.63	10.81	-63.39
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=CC=C4)C=C3)C1)C2	REAL300012071875	0	54	0.0	-79.63	420.38	14.25	-65.38
COC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C2=CC=CC=C2C=C1	REAL300012071876	0	54	0.0	-72.11	416.91	12.32	-59.79
N#CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071877	0	45	0.0	-88.18	367.02	11.23	-76.95
CSC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071878	0	48	0.0	-79.82	386.38	11.87	-67.95
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(Cl)C=CC=C3Cl)C1)C2	REAL300012071879	0	44	0.0	-69.26	374.61	11.65	-57.61
COC1=CC(OC)=C(OC)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071880	0	56	0.0	-77.96	433.03	9.40	-68.56
CCC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071881	0	50	0.0	-76.43	389.06	12.29	-64.14
CC1=CC(C)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=C1	REAL300012071882	0	53	0.0	-75.29	401.10	12.56	-62.73
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(F)C=CC=C3F)C1)C2	REAL300012071883	0	44	0.0	-71.35	357.13	10.88	-60.47
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)C(F)=C3)C1)C2	REAL300012071884	0	44	0.0	-85.99	359.20	10.96	-75.03
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071885	0	54	0.0	-78.84	439.54	12.82	-66.02
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(OCC4=CC=CC=C4)=C3)C1)C2	REAL300012071886	0	58	0.0	-79.02	457.76	14.12	-64.90
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012071887	0	44	0.0	-74.45	358.63	10.74	-63.71
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3Br)C1)C2	REAL300012071888	0	44	0.0	-71.86	361.94	11.43	-60.43
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1O	REAL300012071889	0	49	0.0	-82.37	386.75	7.97	-74.40
CC1=NN(C)C(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071890	0	50	0.0	-79.58	388.05	9.61	-69.97
CC1=NN(C)C(Cl)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071891	0	47	0.0	-76.59	384.32	9.48	-67.11
CCC1=NN(C)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071892	0	50	0.0	-81.40	390.15	9.97	-71.43
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(CC(F)(F)F)N=C3)C1)C2	REAL300012071893	0	47	0.0	-84.61	388.71	10.01	-74.60
CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C(C)(C)C)=N1	REAL300012071894	0	56	0.0	-77.53	416.55	11.03	-66.50
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)O3)C1)C2	REAL300012071895	0	41	0.0	-80.60	344.01	9.60	-71.00
CN(CCC#N)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071896	0	56	0.0	-81.74	440.34	12.69	-69.05
CCOC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1OC	REAL300012071897	0	55	0.0	-73.52	427.16	11.01	-62.51
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OCC(N)=O	REAL300012071898	0	56	0.0	-95.35	443.82	7.99	-87.36
C#CCOC1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071899	0	50	0.0	-71.36	402.22	11.68	-59.68
CC1=NOC(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071900	0	46	0.0	-83.65	364.57	9.67	-73.98
CC1=NC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CS1	REAL300012071901	0	43	0.0	-75.58	352.74	8.55	-67.03
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC2=C1OCO2	REAL300012071902	0	51	0.0	-87.16	402.07	8.78	-78.38
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NN(C4=CC=CC=C4)N=C3)C1)C2	REAL300012071903	0	50	0.0	-81.90	400.62	10.63	-71.27
COC1=CC2=C(C=C1C[NH2+]C1CC3(C1)CC1(CC(C(=O)[O-])C1)C3)OC(C)C2	REAL300012071904	0	56	0.0	-73.74	431.76	10.79	-62.95
CCN(C(C)=O)C1=NC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CS1	REAL300012071905	1	53	0.0	-81.02	423.91	10.63	-70.39
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1C	REAL300012071906	0	51	0.0	-78.54	396.07	10.88	-67.66
CC(C)(C)C1=NNC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071907	0	53	0.0	-80.31	394.69	9.59	-70.72
COC1=CC=CC(OC)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071908	0	52	0.0	-68.30	402.83	9.55	-58.75
COC1=CC=C(F)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071909	0	48	0.0	-75.54	380.18	10.16	-65.38
CSC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012071910	0	45	0.0	-77.14	380.01	11.16	-65.98
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071911	0	57	0.0	-70.70	435.44	14.67	-56.03
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=C3OCO4)C1)C2	REAL300012071912	0	47	0.0	-77.66	372.53	9.49	-68.17
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(Cl)C=CS3)C1)C2	REAL300012071913	0	41	0.0	-71.62	352.03	10.39	-61.23
CS(=O)(=O)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071914	0	50	0.0	-90.84	406.86	8.37	-82.47
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)C=C3)C1)C2	REAL300012071915	0	54	0.0	-80.96	437.12	14.78	-66.18
COC1=CC=C(F)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071916	0	48	0.0	-75.11	380.73	10.26	-64.85
NC(=O)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071917	0	48	0.0	-89.35	380.73	7.62	-81.73
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1F	REAL300012071918	0	48	0.0	-85.30	382.23	10.20	-75.10
COC1=CC=C(Cl)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071919	0	48	0.0	-74.29	391.06	10.70	-63.59
COC(=O)C1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CN1C	REAL300012071920	0	51	0.0	-84.26	405.95	11.04	-73.22
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1Cl	REAL300012071921	0	47	0.0	-78.13	381.95	11.93	-66.20
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1C	REAL300012071922	0	51	0.0	-78.95	396.07	10.88	-68.07
CC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1F	REAL300012071923	0	47	0.0	-72.72	372.40	11.50	-61.22
N#CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(F)=C1	REAL300012071924	0	45	0.0	-84.37	372.60	11.25	-73.12
CC1=NNC(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071925	0	47	0.0	-79.53	366.65	8.38	-71.15
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(OCC4=CC=CC=N4)=C3)C1)C2	REAL300012071926	0	57	0.0	-79.95	450.53	12.42	-67.53
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Br)C=N3)C1)C2	REAL300012071927	0	43	0.0	-79.85	362.49	9.61	-70.24
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(N4CCOCC4)S3)C1)C2	REAL300012071928	0	53	0.0	-80.26	420.18	8.15	-72.11
C#CCCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071929	0	53	0.0	-80.05	424.80	12.40	-67.65
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN4C=CC=CC4=N3)C1)C2	REAL300012071930	0	47	0.0	-78.84	373.14	11.35	-67.49
CC1=NN(C)C2=NC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)C=C12	REAL300012071931	0	52	0.0	-89.71	412.77	10.56	-79.15
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC(C4CC4)=N3)C1)C2	REAL300012071932	0	47	0.0	-75.85	382.62	10.06	-65.79
CCC1=NC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CS1	REAL300012071933	0	46	0.0	-75.47	374.22	9.30	-66.17
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN4C=C(Cl)C=CC4=N3)C1)C2	REAL300012071934	0	47	0.0	-79.29	389.86	11.85	-67.44
CC1=NN(C)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071935	0	47	0.0	-79.05	369.71	9.16	-69.89
CCOCC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1OC	REAL300012071936	0	58	0.0	-77.31	450.08	11.05	-66.26
CCN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=N1	REAL300012071937	0	47	0.0	-78.93	370.84	9.51	-69.42
NC(=O)C1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071938	0	48	0.0	-81.18	381.04	7.61	-73.57
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NC=CN3CC(F)(F)F)C1)C2	REAL300012071939	0	47	0.0	-83.53	383.40	10.34	-73.19
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3CCCCCCC3)C1)C2	REAL300012071940	0	56	0.0	-75.97	389.21	12.01	-63.96
CC1=CSC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012071941	0	43	0.0	-75.43	352.78	8.58	-66.85
COC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1F	REAL300012071942	0	48	0.0	-75.23	381.36	10.16	-65.07
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(F)C=CC=C3Br)C1)C2	REAL300012071943	0	44	0.0	-69.88	369.58	11.34	-58.54
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C4CCCC4=C3)C1)C2	REAL300012071944	0	51	0.0	-76.37	392.04	12.76	-63.61
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC=C3Br)C1)C2	REAL300012071945	0	41	0.0	-73.63	354.51	10.35	-63.28
CC(C)COC1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071946	0	57	0.0	-70.90	438.03	12.62	-58.28
CCN1N=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071947	0	47	0.0	-81.86	369.03	9.32	-72.54
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NC4=C(CCCC4)S3)C1)C2	REAL300012071948	0	50	0.0	-75.46	394.72	10.58	-64.88
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(F)=CC(Br)=C3)C1)C2	REAL300012071949	0	44	0.0	-82.69	374.24	11.53	-71.16
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CC=NC=C4C=C3)C1)C2	REAL300012071950	0	49	0.0	-84.09	387.53	11.32	-72.77
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(F)=C3Br)C1)C2	REAL300012071951	0	44	0.0	-76.70	367.69	11.45	-65.25
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)SC=N1	REAL300012071952	0	43	0.0	-78.36	350.44	8.60	-69.76
COC1=CC(F)=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071953	0	48	0.0	-80.26	382.44	10.21	-70.05
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(Br)=C3F)C1)C2	REAL300012071954	0	44	0.0	-78.33	371.68	11.48	-66.85
CC(C)(C)C1=NC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=N1	REAL300012071955	0	54	0.0	-84.01	418.14	10.79	-73.22
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=CS1	REAL300012071956	0	44	0.0	-75.69	353.76	10.55	-65.14
CS(=O)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071957	0	49	0.0	-88.52	398.38	9.44	-79.08
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C4CCCCC4=C3)C1)C2	REAL300012071958	0	54	0.0	-75.95	409.22	13.34	-62.61
N#CC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012071959	0	44	0.0	-87.62	362.11	9.31	-78.31
COC(=O)C1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CN1	REAL300012071960	0	48	0.0	-82.34	388.18	9.28	-73.06
COCC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)O1	REAL300012071961	0	48	0.0	-79.15	382.51	8.86	-70.29
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=C1OC	REAL300012071962	0	55	0.0	-81.45	423.30	10.75	-70.70
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC(Cl)=C3Cl)C1)C2	REAL300012071963	0	41	0.0	-75.28	367.49	10.84	-64.44
CC1=NC(F)=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071964	0	46	0.0	-85.07	362.87	9.58	-75.49
COC1=CC(C)=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071965	0	51	0.0	-71.83	395.76	10.87	-60.96
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CS1	REAL300012071966	0	44	0.0	-76.02	358.39	10.60	-65.42
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N=N1	REAL300012071967	0	45	0.0	-82.83	357.68	8.54	-74.29
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(C(F)(F)F)S3)C1)C2	REAL300012071968	0	43	0.0	-85.23	372.59	9.24	-75.99
CS(=O)(=O)C1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071969	0	50	0.0	-89.51	407.20	8.35	-81.16
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Cl)=CS3)C1)C2	REAL300012071970	0	41	0.0	-78.49	353.27	10.47	-68.02
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4CCCC4)C=C3)C1)C2	REAL300012071971	0	57	0.0	-75.45	430.04	14.03	-61.42
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N(C)N=C1	REAL300012071972	0	47	0.0	-81.45	366.58	9.00	-72.45
CC1=CC(Cl)=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071973	0	47	0.0	-79.69	384.67	12.01	-67.68
COCC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012071974	0	51	0.0	-79.20	401.23	10.58	-68.62
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NC=CN3C3=CC=CC=C3)C1)C2	REAL300012071975	0	51	0.0	-74.19	403.59	12.49	-61.70
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4CC4)C=C3)C1)C2	REAL300012071976	0	51	0.0	-76.03	395.74	12.95	-63.08
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NC=C(Cl)S3)C1)C2	REAL300012071977	0	40	0.0	-78.09	348.05	8.60	-69.49
C=CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=N1	REAL300012071978	0	45	0.0	-81.17	361.10	9.85	-71.32
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NN3C3CCCC3)C1)C2	REAL300012071979	0	54	0.0	-83.63	412.69	11.31	-72.32
COC1=CC2=CC=CC=C2C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071980	0	54	0.0	-74.52	420.37	12.48	-62.04
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C(F)F)C=C3)C1)C2	REAL300012071981	0	47	0.0	-81.75	378.36	11.72	-70.03
COC1=CC(C)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=N1	REAL300012071982	0	53	0.0	-82.60	407.01	8.58	-74.02
COC1=CC=CC(Cl)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071983	0	48	0.0	-67.99	388.75	10.61	-57.38
CCC1=CC(OC)=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071984	0	54	0.0	-78.20	409.15	11.43	-66.77
CC1=NC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N1C1=CC=CC=C1	REAL300012071985	0	54	0.0	-75.15	427.18	13.18	-61.97
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=NN1C	REAL300012071986	0	47	0.0	-80.13	365.78	9.10	-71.03
CCCN1N=C(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1C	REAL300012071987	0	56	0.0	-79.22	431.37	11.23	-67.99
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(C4CC4)N=C3)C1)C2	REAL300012071988	0	49	0.0	-84.32	388.52	10.49	-73.83
COCCN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=N1	REAL300012071989	0	51	0.0	-81.26	404.51	8.56	-72.70
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4CCC4)C=C3)C1)C2	REAL300012071990	0	54	0.0	-75.51	412.25	13.42	-62.09
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC2=CC=CC=C21	REAL300012071991	0	54	0.0	-81.03	420.97	12.43	-68.60
CCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1F	REAL300012071992	0	51	0.0	-84.07	404.07	11.14	-72.93
COC1=CC=CC2=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)C=CC=C12	REAL300012071993	0	54	0.0	-79.64	415.87	12.34	-67.30
N#CC1=CSC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012071994	0	42	0.0	-85.69	357.46	10.36	-75.33
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1C#N	REAL300012071995	0	49	0.0	-91.38	396.20	10.55	-80.83
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012071996	0	54	0.0	-77.09	420.75	12.69	-64.40
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NC=C(C(F)(F)F)S3)C1)C2	REAL300012071997	0	43	0.0	-80.98	371.55	9.16	-71.82
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1C#N	REAL300012071998	0	48	0.0	-87.60	386.50	11.73	-75.87
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=C(C=C3OC(F)F)OCO4)C1)C2	REAL300012071999	0	51	0.0	-82.95	410.41	9.13	-73.82
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(Br)=C1	REAL300012072000	0	48	0.0	-73.98	391.97	10.68	-63.30
CC1=CN=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072001	0	43	0.0	-74.95	352.90	8.79	-66.16
CC(C)CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=N1	REAL300012072002	0	53	0.0	-78.83	407.71	11.08	-67.75
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3C3CC3)C1)C2	REAL300012072003	0	51	0.0	-75.77	389.24	12.83	-62.94
CC1=CC(Br)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072004	0	44	0.0	-71.20	378.03	11.28	-59.92
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072005	0	59	0.0	-82.58	456.19	13.54	-69.04
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072006	0	54	0.0	-67.00	435.62	13.53	-53.47
CCC1=CN=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072007	0	46	0.0	-74.93	374.39	9.57	-65.36
CN1C(=O)CCC2=CC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CC=C21	REAL300012072008	0	55	0.0	-86.60	423.22	11.76	-74.84
CC1=CC=C(OC(F)F)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072009	0	51	0.0	-77.02	405.47	11.14	-65.88
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(C4=CC=CC=C4F)S3)C1)C2	REAL300012072010	0	50	0.0	-82.34	415.70	12.11	-70.23
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Cl)=CC=C3OCC3CC3)C1)C2	REAL300012072011	0	55	0.0	-73.25	444.92	13.23	-60.02
CC1=NN(C(C)C)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072012	0	53	0.0	-79.16	408.83	10.63	-68.53
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(C4CCCC4)S3)C1)C2	REAL300012072013	0	53	0.0	-76.92	418.42	11.48	-65.44
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(C4CC4)S3)C1)C2	REAL300012072014	0	47	0.0	-77.57	384.43	10.46	-67.11
CC(C)C1=NC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072015	0	49	0.0	-77.09	395.46	10.15	-66.94
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(C4=CC=CO4)S3)C1)C2	REAL300012072016	0	47	0.0	-82.48	394.00	9.95	-72.53
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Br)C(Cl)=C3)C1)C2	REAL300012072017	0	44	0.0	-83.35	382.62	11.91	-71.44
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(CCC4=CC=CC=C4)S3)C1)C2	REAL300012072018	0	56	0.0	-80.36	456.10	13.35	-67.01
CN1C=C(C2=CC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)C=C2)C=N1	REAL300012072019	0	54	0.0	-82.35	426.29	12.15	-70.20
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(CC(F)F)N=C3)C1)C2	REAL300012072020	0	47	0.0	-81.50	383.83	9.79	-71.71
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OC4=CC=CC(F)=C4)C=C3)C1)C2	REAL300012072021	0	55	0.0	-81.48	441.60	13.76	-67.72
CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2=CC=C(F)C=C2)=N1	REAL300012072022	0	54	0.0	-79.41	432.14	12.04	-67.37
CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2=CC=C(C#N)C=C2)=N1	REAL300012072023	0	55	0.0	-84.75	446.55	12.38	-72.37
CN(C)C(=O)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N1	REAL300012072024	0	52	0.0	-90.37	403.83	9.01	-81.36
NC(=O)C1=CSC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072025	0	45	0.0	-82.47	372.51	6.72	-75.75
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=N1	REAL300012072026	0	58	0.0	-84.46	454.89	13.28	-71.18
CCC1=NN(C)C(CC)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072027	0	56	0.0	-78.78	423.11	11.12	-67.66
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(C4CCC4)S3)C1)C2	REAL300012072028	0	50	0.0	-78.68	400.76	10.95	-67.73
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(C4CCCO4)S3)C1)C2	REAL300012072029	0	51	0.0	-79.79	410.57	9.07	-70.72
CC1=CC=CC=C1N1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N=N1	REAL300012072030	0	53	0.0	-83.17	420.23	11.57	-71.60
CN1N=C(Br)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072031	0	44	0.0	-86.28	368.54	8.91	-77.37
CN1C=C(C2=CC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)S2)C=N1	REAL300012072032	0	51	0.0	-80.19	420.48	11.52	-68.67
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C4OCCCCOC4=C3)C1)C2	REAL300012072033	0	56	0.0	-83.04	425.59	11.72	-71.32
CCOC1=C(Cl)C=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072034	0	51	0.0	-75.00	413.98	11.72	-63.28
CCC1=CC=CC(F)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072035	0	50	0.0	-71.97	387.37	12.09	-59.88
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)C(Cl)=C3Cl)C1)C2	REAL300012072036	0	44	0.0	-81.18	379.40	11.82	-69.36
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NN(C(F)F)C=C3)C1)C2	REAL300012072037	0	44	0.0	-80.03	362.43	8.74	-71.29
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072038	0	55	0.0	-78.34	432.07	11.21	-67.13
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(F)C=CC=C3OC(F)(F)F)C1)C2	REAL300012072039	0	48	0.0	-71.64	396.51	10.72	-60.92
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NN3C3=CC=C(F)C=C3)C1)C2	REAL300012072040	0	51	0.0	-83.04	408.82	11.81	-71.23
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2=CN(C)N=C2)=C1	REAL300012072041	0	57	0.0	-75.65	444.24	12.67	-62.98
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2=CC=NN2C)=C1	REAL300012072042	0	57	0.0	-73.00	440.26	12.33	-60.67
CC(C)C1=CN=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072043	0	49	0.0	-74.75	394.34	10.15	-64.60
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(Cl)N(CC4=CC=CC=C4)N=C3)C1)C2	REAL300012072044	0	54	0.0	-76.41	445.54	12.82	-63.59
CC(C)(C)C1=CN=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072045	0	52	0.0	-74.59	412.54	10.63	-63.96
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(C4CC4)N=CS3)C1)C2	REAL300012072046	0	47	0.0	-79.49	381.66	10.28	-69.21
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)C=C3N3C=NC=N3)C1)C2	REAL300012072047	0	50	0.0	-72.67	407.60	14.43	-58.24
COC(=O)C1=C(C)N(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072048	0	54	0.0	-85.45	424.52	11.33	-74.12
COCCCN1N=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072049	0	54	0.0	-84.35	424.17	9.14	-75.21
CC1=CC(F)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(Cl)=C1	REAL300012072050	0	47	0.0	-70.47	386.93	11.94	-58.53
COCCOCC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012072051	0	58	0.0	-80.79	456.71	10.80	-69.99
CSCC1=CN=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072052	0	47	0.0	-77.20	397.62	10.01	-67.19
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC=C3C(F)(F)F)C1)C2	REAL300012072053	0	44	0.0	-71.61	366.10	10.81	-60.80
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)SC2=C(Cl)C=CC=C12	REAL300012072054	0	50	0.0	-79.17	416.99	13.39	-65.78
CCN1N=C(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072055	0	49	0.0	-80.06	385.37	8.43	-71.63
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(C4CC4)=C3)C1)C2	REAL300012072056	0	51	0.0	-76.66	395.74	12.94	-63.72
CC1=NN(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072057	0	47	0.0	-83.36	369.08	8.98	-74.38
N#CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1F	REAL300012072058	0	45	0.0	-92.50	373.25	11.27	-81.23
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C4OC(F)(F)OC4=C3)C1)C2	REAL300012072059	0	47	0.0	-87.73	386.09	9.94	-77.79
CC1=CC(F)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(F)=C1	REAL300012072060	0	47	0.0	-70.77	378.55	11.55	-59.22
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)O1	REAL300012072061	0	54	0.0	-75.93	430.51	11.27	-64.66
CC(C)CN1N=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072062	0	53	0.0	-81.24	400.94	10.29	-70.95
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Br)=CN=C3Cl)C1)C2	REAL300012072063	0	43	0.0	-77.11	374.77	10.06	-67.05
COC(=O)C1=C(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CN1	REAL300012072064	0	51	0.0	-82.01	404.10	9.86	-72.15
CC1=CC=C(C2=NC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)S2)C=C1C	REAL300012072065	0	56	0.0	-80.21	449.56	13.07	-67.14
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072066	0	54	0.0	-78.99	428.38	12.62	-66.37
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072067	0	54	0.0	-80.78	442.14	13.37	-67.41
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072068	0	57	0.0	-82.79	446.34	13.31	-69.48
CC(C)(C#N)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012072069	0	54	0.0	-83.33	422.80	12.80	-70.53
CC(C)C1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072070	0	53	0.0	-74.47	400.43	12.62	-61.85
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NN4CCCCC4=C3)C1)C2	REAL300012072071	0	51	0.0	-75.72	390.76	10.17	-65.55
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=NN3C3=CC=CC=C3)C1)C2	REAL300012072072	0	50	0.0	-82.66	396.81	10.48	-72.18
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CN=CC=C4O3)C1)C2	REAL300012072073	0	46	0.0	-84.58	368.77	9.63	-74.95
COC1=CC(OC)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1F	REAL300012072074	0	52	0.0	-79.14	410.02	9.58	-69.56
COC1=CC(F)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OC	REAL300012072075	0	52	0.0	-79.14	409.74	10.09	-69.05
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(Cl)=C1	REAL300012072076	0	47	0.0	-72.12	380.32	11.96	-60.16
CCC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072077	0	50	0.0	-76.05	389.38	12.27	-63.78
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072078	0	57	0.0	-81.61	446.37	13.31	-68.30
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(F)=C1	REAL300012072079	0	48	0.0	-75.97	381.27	10.16	-65.81
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=C3CCC4)C1)C2	REAL300012072080	0	51	0.0	-76.70	389.03	12.73	-63.97
COC1=CC=CC(F)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072081	0	48	0.0	-69.08	380.02	10.22	-58.86
CCCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=C1	REAL300012072082	0	57	0.0	-77.61	434.76	12.42	-65.19
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CC=NC=C4S3)C1)C2	REAL300012072083	0	46	0.0	-82.14	378.65	10.59	-71.55
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C4CCCN4N=C3)C1)C2	REAL300012072084	0	48	0.0	-81.27	372.68	9.45	-71.82
CCC1=C2OC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CC2=CC=C1	REAL300012072085	0	53	0.0	-80.64	416.95	12.81	-67.83
C=CCCN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N=N1	REAL300012072086	0	50	0.0	-82.89	398.73	9.50	-73.39
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NN3CC3CC3)C1)C2	REAL300012072087	0	51	0.0	-80.25	396.00	10.88	-69.37
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(OC4CC4)=C3F)C1)C2	REAL300012072088	0	52	0.0	-76.30	412.12	11.85	-64.45
CCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=C1	REAL300012072089	0	54	0.0	-77.27	412.70	11.68	-65.59
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(F)=C3OC(F)F)C1)C2	REAL300012072090	0	48	0.0	-78.06	390.85	10.53	-67.53
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(F)=CC=C3OC(F)F)C1)C2	REAL300012072091	0	48	0.0	-80.32	390.47	10.55	-69.77
COC1=NC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072092	0	47	0.0	-74.25	372.27	7.61	-66.64
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(C4CCCC4)=C3)C1)C2	REAL300012072093	0	57	0.0	-76.00	430.72	14.04	-61.96
CN1C=C(C2=NN(C)C=C2C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=N1	REAL300012072094	0	54	0.0	-77.80	429.76	9.84	-67.96
COCC1=CSC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072095	0	48	0.0	-76.71	391.72	9.67	-67.04
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(C4CCC4)N=N3)C1)C2	REAL300012072096	0	50	0.0	-82.56	388.35	9.30	-73.26
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC(C(F)(F)F)=C3)C1)C2	REAL300012072097	0	44	0.0	-82.12	377.14	10.99	-71.13
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C(F)(F)F)O3)C1)C2	REAL300012072098	0	44	0.0	-83.63	368.12	10.20	-73.43
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(C(F)(F)F)SC=C3)C1)C2	REAL300012072099	0	44	0.0	-72.15	367.90	10.95	-61.20
CN(C)C1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=CC(F)=C1F	REAL300012072100	0	52	0.0	-80.74	406.76	10.89	-69.85
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(F)C=CC(F)=C3Cl)C1)C2	REAL300012072101	0	44	0.0	-73.11	371.76	11.33	-61.78
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OC4CCOC4)C=C3)C1)C2	REAL300012072102	0	56	0.0	-81.10	431.84	10.48	-70.62
CN(C)C1=CC(F)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1F	REAL300012072103	0	52	0.0	-78.39	411.89	10.43	-67.96
COC(=O)C1=C2CCCCN2C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072104	0	58	0.0	-86.91	447.89	12.58	-74.33
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)C(F)=C3F)C1)C2	REAL300012072105	0	44	0.0	-84.89	363.62	11.02	-73.87
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC(C(F)(F)F)=C1	REAL300012072106	0	51	0.0	-81.91	415.09	11.16	-70.75
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OC1CC1	REAL300012072107	0	56	0.0	-83.78	436.28	11.70	-72.08
CCCN1N=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072108	0	50	0.0	-81.82	390.50	10.07	-71.75
CN1N=C(C(F)(F)F)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072109	0	47	0.0	-89.69	388.51	9.38	-80.31
COCC(C)OC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012072110	0	58	0.0	-81.48	447.75	11.04	-70.44
CCCC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072111	0	50	0.0	-75.50	401.26	12.30	-63.20
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=CS4)C=C3)C1)C2	REAL300012072112	0	51	0.0	-79.01	413.86	13.45	-65.56
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NN3CCC3=CC=CC=C3)C1)C2	REAL300012072113	0	57	0.0	-83.86	441.86	13.01	-70.85
CC(C)C1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072114	0	53	0.0	-75.48	406.72	12.76	-62.72
CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(Cl)=N1	REAL300012072115	0	44	0.0	-79.67	365.67	9.07	-70.60
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1C(C)(C)C	REAL300012072116	0	60	0.0	-77.80	447.17	12.82	-64.98
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(CC4CCC4)=C3)C1)C2	REAL300012072117	0	57	0.0	-76.23	437.54	14.35	-61.88
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072118	0	52	0.0	-70.54	419.30	10.05	-60.49
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=NC=C1Br	REAL300012072119	0	46	0.0	-79.58	380.98	10.19	-69.39
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C(Br)C=C1F	REAL300012072120	0	47	0.0	-76.47	388.69	12.12	-64.35
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(O)C=CC=C3Br)C1)C2	REAL300012072121	0	45	0.0	-69.57	374.31	8.54	-61.03
CN1C=C(C2=NC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CS2)C=N1	REAL300012072122	0	50	0.0	-80.83	415.71	9.43	-71.40
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1Cl	REAL300012072123	0	48	0.0	-83.36	392.03	10.69	-72.67
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NN3CC3CCC3)C1)C2	REAL300012072124	0	54	0.0	-81.86	417.42	11.38	-70.48
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)C1)C2	REAL300012072125	0	50	0.0	-86.61	405.52	10.74	-75.87
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3CC(F)(F)F)C1)C2	REAL300012072126	0	50	0.0	-77.32	395.67	12.41	-64.91
CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(Br)=N1	REAL300012072127	0	44	0.0	-79.01	369.72	9.14	-69.87
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(F)=C1	REAL300012072128	0	47	0.0	-73.49	373.19	11.54	-61.95
CC(=O)NC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072129	0	51	0.0	-86.10	402.60	9.74	-76.36
CN1N=CC2=CC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CN=C21	REAL300012072130	0	49	0.0	-88.88	390.83	9.98	-78.90
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NC=C(Br)C=C3F)C1)C2	REAL300012072131	0	43	0.0	-74.98	367.86	9.64	-65.34
COC1=CC(Cl)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OC	REAL300012072132	0	52	0.0	-77.64	417.06	10.51	-67.13
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(CC(F)(F)F)C=C3)C1)C2	REAL300012072133	0	50	0.0	-79.20	407.15	12.63	-66.57
CN1N=C2CCCCC2=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072134	0	54	0.0	-83.79	410.41	10.83	-72.96
CCOC(=O)C1=C(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C(C)N1	REAL300012072135	0	57	0.0	-83.10	446.26	11.22	-71.88
CC1=C(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CS1	REAL300012072136	0	47	0.0	-75.30	371.72	11.12	-64.18
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(Cl)C(F)=C3)C1)C2	REAL300012072137	0	43	0.0	-89.24	364.12	9.53	-79.71
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=CC=C4)C(Cl)=C3)C1)C2	REAL300012072138	0	54	0.0	-82.30	439.54	14.81	-67.49
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(Br)SC=C3)C1)C2	REAL300012072139	0	41	0.0	-72.73	354.44	10.50	-62.23
CCOC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C(F)C=C1OC	REAL300012072140	0	55	0.0	-79.20	431.59	11.01	-68.19
COC1=NC=C(Br)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072141	0	47	0.0	-75.66	393.60	8.20	-67.46
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)C4=CC=CC=C34)C1)C2	REAL300012072142	0	50	0.0	-84.76	393.06	13.01	-71.75
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CN=C3Br)C1)C2	REAL300012072143	0	43	0.0	-77.11	356.99	9.53	-67.58
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(Br)=C3Cl)C1)C2	REAL300012072144	0	44	0.0	-76.50	377.79	11.86	-64.64
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(F)=C3OC(F)(F)F)C1)C2	REAL300012072145	0	48	0.0	-77.17	397.57	10.77	-66.40
CC(C)OC1=CC=C(F)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072146	0	54	0.0	-74.60	420.50	11.81	-62.79
CCOC1=CC(F)=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072147	0	51	0.0	-80.04	404.30	11.14	-68.90
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C(=O)N4CCCC4)C=C3)C1)C2	REAL300012072148	0	58	0.0	-87.88	442.50	11.85	-76.03
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OC(F)F)C=C3F)C1)C2	REAL300012072149	0	48	0.0	-78.78	391.02	10.44	-68.34
CC(C)(C)OC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072150	0	57	0.0	-77.23	426.89	11.97	-65.26
CC1=C(Cl)C=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072151	0	47	0.0	-79.03	375.67	11.84	-67.19
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C(F)C=C1C	REAL300012072152	0	51	0.0	-75.85	400.58	10.93	-64.92
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=C1Br	REAL300012072153	0	50	0.0	-77.32	397.64	12.55	-64.77
CC1=CC=NC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1Br	REAL300012072154	0	46	0.0	-70.70	377.81	10.09	-60.61
CC(C)(C)C1=CSC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072155	0	52	0.0	-75.15	411.78	10.57	-64.58
COCCC1=NC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072156	0	50	0.0	-79.45	408.35	8.61	-70.84
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(F)=CC(F)=C3O)C1)C2	REAL300012072158	1	45	0.0	-80.36	368.74	8.20	-72.16
CN1N=C2CCSCC2=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072159	0	52	0.0	-86.33	409.73	10.48	-75.85
CCN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2=CC=CC=C2)=N1	REAL300012072160	0	57	0.0	-78.89	447.04	12.86	-66.03
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=C3CCOC4)C1)C2	REAL300012072161	0	52	0.0	-78.82	393.02	10.80	-68.02
COCC1=C(C)C=C(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1C	REAL300012072162	0	60	0.0	-76.83	448.01	12.05	-64.78
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C4OC(=O)OC4=C3)C1)C2	REAL300012072163	0	46	0.0	-92.91	374.25	11.38	-81.53
CC1=C(Br)C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072164	0	44	0.0	-76.63	379.08	11.34	-65.29
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(C4=CC=C(Cl)C=C4)=C3)C1)C2	REAL300012072165	0	54	0.0	-80.55	437.43	14.76	-65.79
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=NC=CC=C34)C1)C2	REAL300012072166	0	49	0.0	-83.63	382.57	11.09	-72.54
CCCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1C	REAL300012072167	0	57	0.0	-78.11	439.42	12.61	-65.50
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=NC=CN=C4C=C3)C1)C2	REAL300012072168	0	48	0.0	-84.93	382.53	9.24	-75.69
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1CN1C=CC=N1	REAL300012072169	0	58	0.0	-79.01	458.71	11.82	-67.19
CCOC1=CC=CC(F)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072170	0	51	0.0	-69.17	401.87	11.15	-58.02
CC1=CC=C(Br)C(F)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072171	0	47	0.0	-77.67	388.60	12.03	-65.64
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=CC=C1[N+](=O)[O-]	REAL300012072172	0	49	0.0	-89.54	384.65	11.89	-77.65
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072173	0	52	0.0	-87.21	405.75	12.50	-74.71
COC1=CC=C(CN2C=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)N=N2)C=C1	REAL300012072174	0	57	0.0	-87.93	453.87	10.48	-77.45
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(F)=C1OC	REAL300012072175	0	52	0.0	-78.76	414.57	10.18	-68.58
COC(=O)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(F)=C1	REAL300012072176	0	50	0.0	-82.33	406.55	11.52	-70.81
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(OC4=CC=CC=N4)=C3)C1)C2	REAL300012072177	0	54	0.0	-78.97	433.14	11.21	-67.76
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(COC4=CC=CC=C4)=C3)C1)C2	REAL300012072178	0	58	0.0	-80.24	457.76	14.11	-66.13
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3OCC(F)F)C1)C2	REAL300012072179	0	51	0.0	-72.14	409.45	11.45	-60.69
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)C=N3)C1)C2	REAL300012072180	0	43	0.0	-79.76	357.92	9.51	-70.25
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072181	0	60	0.0	-80.64	461.48	13.85	-66.79
CC1=CC(C#N)=CC(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072182	0	51	0.0	-85.75	400.44	12.28	-73.47
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(CCF)N=C3)C1)C2	REAL300012072183	0	47	0.0	-81.90	377.43	9.64	-72.26
CC(C)(C)C1=COC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072184	0	52	0.0	-76.49	404.07	8.22	-68.27
CCCC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012072185	0	53	0.0	-76.25	410.55	13.06	-63.19
COC1=CC=C(C2=NC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CS2)C=C1	REAL300012072186	0	54	0.0	-78.75	440.46	10.94	-67.81
CC1=C2C=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)C=NC2=NN1	REAL300012072188	0	49	0.0	-90.95	389.55	9.36	-81.59
CS(=O)(=O)NC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072189	0	52	0.0	-91.48	423.79	7.45	-84.03
CN1N=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C2=CC=CC=C21	REAL300012072190	0	50	0.0	-79.69	396.15	10.77	-68.92
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C4C=CC=CC4=NN3)C1)C2	REAL300012072191	0	47	0.0	-87.34	373.41	9.45	-77.89
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NNC4=CC=CC=C43)C1)C2	REAL300012072191	1	47	0.0	-78.12	373.27	9.47	-68.65
CN1C(Cl)=NC(Cl)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072192	0	44	0.0	-83.94	379.98	10.12	-73.82
CCC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072193	0	47	0.0	-75.57	379.76	11.52	-64.05
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NC=CC4=CC=CC=C43)C1)C2	REAL300012072194	0	49	0.0	-76.39	383.91	11.12	-65.27
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N2C=CC=CC2=N1	REAL300012072195	0	50	0.0	-83.99	393.01	11.80	-72.19
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072196	1	64	0.0	-75.86	468.30	12.93	-62.93
CCC1=NC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072197	0	46	0.0	-78.56	374.70	9.55	-69.01
COC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)SC=C1	REAL300012072198	0	45	0.0	-70.04	366.64	9.25	-60.79
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(C4=CC=CC=N4)=NN3)C1)C2	REAL300012072199	0	50	0.0	-84.23	402.71	9.08	-75.15
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC=C3Cl)C1)C2	REAL300012072200	0	41	0.0	-74.30	350.86	10.24	-64.06
CC1=NN2C(=NC(C)=C2C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072201	0	49	0.0	-79.15	401.72	10.03	-69.12
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072202	0	55	0.0	-79.91	442.49	11.31	-68.60
CCCC(C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2)C1=CC=CC=C1	REAL300012072203	0	56	0.0	-75.74	423.79	13.45	-62.29
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(Cl)C=CC4=CC=CN=C43)C1)C2	REAL300012072204	0	49	0.0	-67.84	400.25	11.76	-56.08
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3CC4CCC3C4)C1)C2	REAL300012072205	0	51	0.0	-76.15	371.62	11.45	-64.70
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)N=C3)C1)C2	REAL300012072206	0	43	0.0	-86.58	347.79	9.00	-77.58
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C(F)(F)F)S3)C1)C2	REAL300012072207	0	44	0.0	-81.95	377.39	11.15	-70.80
CN(C)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C(F)(F)F)=C1	REAL300012072208	0	55	0.0	-79.57	426.14	12.27	-67.30
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072209	0	54	0.0	-80.82	428.43	13.47	-67.35
CC1=CN=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N1C	REAL300012072210	0	47	0.0	-80.68	366.48	9.69	-70.99
CC(C)C1CCC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)CC1	REAL300012072211	0	59	0.0	-75.27	423.43	12.89	-62.38
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(Cl)N=C4C=C(Cl)C=CN43)C1)C2	REAL300012072212	0	47	0.0	-85.57	406.40	12.18	-73.39
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072213	0	55	0.0	-79.73	433.17	12.25	-67.48
COCC1=CC=CC=C1C=C(C)C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072214	0	58	0.0	-80.42	445.63	12.47	-67.95
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072215	0	54	0.0	-73.13	418.86	11.67	-61.46
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CON=C3CC3=CC=CC=C3)C1)C2	REAL300012072216	0	53	0.0	-87.48	420.61	12.50	-74.98
CCC1=NOC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072217	0	46	0.0	-83.56	363.87	9.60	-73.96
CN1N=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1Cl	REAL300012072218	0	44	0.0	-76.61	364.81	8.98	-67.63
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CC=CN=C4O3)C1)C2	REAL300012072219	0	46	0.0	-85.78	368.85	8.32	-77.46
COC1=CC=C(N2C=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)C=N2)C=C1	REAL300012072220	0	55	0.0	-84.96	434.82	11.35	-73.61
CC1=CN=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072221	0	46	0.0	-80.12	356.69	9.69	-70.43
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CC(Cl)=CN=C4O3)C1)C2	REAL300012072222	0	46	0.0	-86.46	385.62	8.82	-77.64
O=C([O-])C1CC2(C1)CC1(CC([NH2+]C[C@@H]3C[C@H]3C3=CC=CC=C3)C1)C2	REAL300012072223	0	51	0.0	-77.39	395.69	12.95	-64.44
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NC=C3Br)C1)C2	REAL300012072224	0	43	0.0	-76.85	357.27	9.64	-67.21
CS(=O)(=O)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072225	0	47	0.0	-86.95	399.57	7.52	-79.43
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NN3C3=CC=CC=N3)C1)C2	REAL300012072226	0	50	0.0	-74.78	398.66	11.52	-63.26
NS(=O)(=O)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(F)=C1	REAL300012072227	0	49	0.0	-87.37	406.01	5.82	-81.55
CC(C)(C)N1N=NC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072228	1	51	0.0	-77.01	399.56	8.65	-68.36
CC(C)N1C=CN=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072229	0	50	0.0	-79.65	387.05	10.66	-68.99
CC1=C(Br)C=NC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072230	0	46	0.0	-81.16	374.97	10.19	-70.97
CN1N=CC(C(F)(F)F)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072231	0	47	0.0	-81.82	383.31	9.41	-72.41
CN1N=CC(C2CC2)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072232	0	51	0.0	-83.17	396.88	10.49	-72.68
CN1N=CC(C2CCC2)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072233	0	54	0.0	-83.54	413.64	10.98	-72.56
CC1=NC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N1C	REAL300012072234	0	47	0.0	-81.23	365.84	9.76	-71.47
CC1=C2C=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)NC2=CC=C1	REAL300012072235	0	51	0.0	-80.95	399.33	11.42	-69.53
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NN3C3=CC=NC=C3)C1)C2	REAL300012072236	0	50	0.0	-83.50	397.41	9.98	-73.52
CC1=CC=C2C=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)NC2=C1	REAL300012072237	0	51	0.0	-81.69	399.44	11.45	-70.24
CC1=NC=CN=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072238	0	45	0.0	-78.04	353.15	7.65	-70.39
CCOC1=CN=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072239	0	50	0.0	-80.46	392.81	9.25	-71.21
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NC=C3Cl)C1)C2	REAL300012072240	0	43	0.0	-77.45	353.66	9.55	-67.90
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NN3C3CCOCC3)C1)C2	REAL300012072241	0	55	0.0	-85.51	422.17	9.45	-76.06
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=NNC=C43)C1)C2	REAL300012072242	0	47	0.0	-86.72	372.62	9.53	-77.19
CCC(F)(F)C(C)(C)C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072243	0	52	0.0	-76.63	386.02	11.21	-65.42
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NC(F)=C3)C1)C2	REAL300012072244	0	43	0.0	-87.71	347.80	9.01	-78.70
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C4C=CNC4=C3)C1)C2	REAL300012072245	0	48	0.0	-78.94	377.86	10.86	-68.08
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=C(C=CNC4=O)O3)C1)C2	REAL300012072246	0	47	0.0	-87.04	378.78	8.33	-78.71
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C(F)F)N=C3)C1)C2	REAL300012072247	0	46	0.0	-84.95	375.94	9.93	-75.02
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072248	0	53	0.0	-79.94	418.34	11.27	-68.67
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(CC4CCOC4)N=N3)C1)C2	REAL300012072249	0	54	0.0	-86.85	420.33	8.24	-78.61
COC1=CN=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1C	REAL300012072250	0	50	0.0	-80.47	385.79	8.93	-71.54
CC1=CC(C)=C(C=CC[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=C1	REAL300012072251	0	57	0.0	-79.61	436.54	13.96	-65.65
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(CC4CCCO4)N=N3)C1)C2	REAL300012072252	0	54	0.0	-83.76	421.17	8.42	-75.34
CCCN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N=N1	REAL300012072253	0	49	0.0	-83.14	385.92	8.95	-74.19
CN(C)C1=CC=C(F)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072254	0	52	0.0	-74.06	405.53	10.92	-63.14
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(C4CC4)C=N3)C1)C2	REAL300012072255	0	48	0.0	-75.53	377.54	11.49	-64.04
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CC=CC(F)=C4N=C3)C1)C2	REAL300012072256	0	49	0.0	-90.57	393.90	11.28	-79.29
CC1=CC(C)=C(C=CC[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1C	REAL300012072257	0	57	0.0	-78.78	433.46	13.86	-64.92
CC1=NSC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072258	0	43	0.0	-81.30	353.04	9.25	-72.05
NS(=O)(=O)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012072259	0	49	0.0	-90.45	400.35	5.81	-84.64
CCN1N=CN=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072260	0	46	0.0	-82.22	359.55	10.00	-72.22
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(C4CC4)O3)C1)C2	REAL300012072261	0	47	0.0	-80.65	374.92	8.14	-72.51
CCC1=CNC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072262	0	47	0.0	-77.86	368.99	8.91	-68.95
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NC=CC4=C3CCCC4)C1)C2	REAL300012072263	0	53	0.0	-74.96	398.72	11.38	-63.58
CC1=NN(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1Cl	REAL300012072264	0	47	0.0	-81.08	385.54	9.48	-71.60
CN1C=CC(C2=NC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CS2)=N1	REAL300012072265	0	50	0.0	-82.21	415.81	9.32	-72.89
CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2CCCC2)=N1	REAL300012072266	0	57	0.0	-80.02	434.86	11.74	-68.28
CC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1Br	REAL300012072267	0	47	0.0	-73.33	381.00	11.95	-61.38
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(OC4=CC=C(F)C=C4)=C3)C1)C2	REAL300012072268	0	55	0.0	-82.16	441.62	13.74	-68.42
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C4OCCCC4=C3)C1)C2	REAL300012072269	0	52	0.0	-79.06	400.23	11.48	-67.58
CN(C)C(=O)C1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072270	0	54	0.0	-84.28	415.80	10.52	-73.76
CCC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(Cl)=NN1	REAL300012072271	0	47	0.0	-75.10	379.76	9.03	-66.07
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(C4CC4)NN=C3Cl)C1)C2	REAL300012072272	0	48	0.0	-78.14	392.89	9.80	-68.34
CCC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=NO1	REAL300012072273	0	49	0.0	-80.97	381.23	10.41	-70.56
CCN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N=N1	REAL300012072274	0	46	0.0	-83.43	364.42	8.18	-75.25
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C2CCCCC2=N1	REAL300012072275	0	56	0.0	-83.22	418.78	12.02	-71.20
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3N3CCCCC3)C1)C2	REAL300012072276	0	59	0.0	-72.44	439.99	12.90	-59.54
CCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)O1	REAL300012072277	0	48	0.0	-79.70	381.81	10.36	-69.34
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC(C(F)(F)F)=N3)C1)C2	REAL300012072278	0	43	0.0	-82.85	371.83	8.94	-73.91
CCN1C=NC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072279	0	47	0.0	-75.41	370.04	11.01	-64.40
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CN=C1F	REAL300012072280	0	46	0.0	-85.96	368.16	9.63	-76.33
CC1=CC(F)=NC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072281	0	46	0.0	-85.36	363.04	9.62	-75.74
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C(F)F)C(F)=C3)C1)C2	REAL300012072282	0	47	0.0	-84.58	385.69	11.79	-72.79
COC(=O)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1C	REAL300012072283	0	53	0.0	-85.56	417.33	12.03	-73.53
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=C1	REAL300012072284	0	51	0.0	-77.94	391.41	10.70	-67.24
CC1=C(Cl)C=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1Cl	REAL300012072285	0	47	0.0	-74.98	391.99	12.30	-62.68
N#CC1=CC=C(Br)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072286	0	45	0.0	-80.81	382.38	11.81	-69.00
CC1CC2=CC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CC=C2O1	REAL300012072287	0	52	0.0	-80.95	403.53	11.45	-69.50
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=C3OC(=O)N4)C1)C2	REAL300012072288	0	47	0.0	-85.66	378.28	8.34	-77.32
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=C3OCC4)C1)C2	REAL300012072289	0	49	0.0	-72.31	382.28	10.67	-61.64
CSCC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012072290	0	51	0.0	-78.84	412.29	12.74	-66.10
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(CC4CCC4)N=C3)C1)C2	REAL300012072291	0	54	0.0	-79.99	418.73	11.58	-68.41
CN1N=C2CCOCC2=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072292	0	52	0.0	-86.07	401.47	8.44	-77.63
CN1N=C2CCCC2=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072293	0	51	0.0	-83.70	392.91	10.31	-73.39
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NN3C3CCC3)C1)C2	REAL300012072294	0	51	0.0	-83.21	395.31	10.62	-72.59
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(C4CCC4)N=C3)C1)C2	REAL300012072295	0	51	0.0	-78.60	394.65	10.62	-67.98
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072296	0	57	0.0	-72.66	448.79	12.38	-60.28
COC(=O)COC1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072297	0	54	0.0	-72.71	430.94	11.80	-60.91
COC1=CC=C(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072298	0	51	0.0	-76.34	390.81	10.74	-65.60
CN1C=NC2=CC=CC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=C21	REAL300012072299	0	50	0.0	-83.54	384.90	12.07	-71.47
CCC1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072300	0	50	0.0	-74.30	379.96	12.12	-62.18
CN(C)C(=O)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012072301	0	54	0.0	-90.84	417.25	10.70	-80.14
CC1=CC(F)=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072302	0	47	0.0	-80.79	374.34	11.58	-69.21
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=C1C	REAL300012072303	0	53	0.0	-74.48	396.05	12.55	-61.93
CCNC(=O)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012072304	0	54	0.0	-87.56	424.13	9.96	-77.60
CC(C)(C)C1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072305	0	56	0.0	-71.33	400.53	13.30	-58.03
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C4CCCCCN34)C1)C2	REAL300012072306	0	54	0.0	-80.89	402.25	11.24	-69.65
COC1=CC=C2SC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CC2=C1	REAL300012072307	0	51	0.0	-79.29	413.43	11.66	-67.63
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CON=C3C3CC3)C1)C2	REAL300012072308	0	47	0.0	-83.92	374.31	10.46	-73.46
CCN(CC)C(=O)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012072309	0	60	0.0	-89.69	457.45	12.56	-77.13
CCN1CCC2=CC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CC=C21	REAL300012072310	0	56	0.0	-77.71	418.97	10.98	-66.73
CCN(C)C(=O)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012072311	0	57	0.0	-89.85	439.06	11.70	-78.15
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=NN1C(C)C	REAL300012072312	0	53	0.0	-78.53	409.47	10.62	-67.91
CSC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1Cl	REAL300012072313	0	48	0.0	-82.54	401.72	12.30	-70.24
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1C1CC1	REAL300012072314	0	54	0.0	-76.36	412.91	13.46	-62.90
CCOC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=N1	REAL300012072315	0	50	0.0	-82.93	395.43	8.48	-74.45
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1C1CC1	REAL300012072316	0	54	0.0	-76.41	412.95	13.47	-62.94
CC1=NN(C2=CC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)C(C)=C2)C=C1	REAL300012072317	0	57	0.0	-83.88	442.21	13.17	-70.71
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072318	0	54	0.0	-82.81	436.89	13.14	-69.67
CCC1=CC(Br)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072319	0	47	0.0	-71.13	399.56	12.07	-59.06
CC1=NN(C2=CC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)C=C2)C=C1Cl	REAL300012072320	0	54	0.0	-85.24	443.08	13.13	-72.11
COC(=O)C1=CC2=C(C=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)O2)N1	REAL300012072321	0	51	0.0	-88.04	414.76	9.64	-78.40
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)O1	REAL300012072322	0	45	0.0	-79.88	359.96	9.42	-70.46
COCCOC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)O1	REAL300012072323	0	52	0.0	-81.74	415.44	9.60	-72.14
CC1=NN(C(C)C)C(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072324	0	56	0.0	-79.85	429.46	11.14	-68.71
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NN(CCF)C=C3)C1)C2	REAL300012072325	0	47	0.0	-77.89	377.20	9.55	-68.34
CCN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=N1	REAL300012072326	0	50	0.0	-79.71	390.16	10.11	-69.60
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Cl)=CC(Br)=C3)C1)C2	REAL300012072327	0	44	0.0	-81.80	384.56	11.96	-69.84
CC1=CC=C(C2=CC=CC=C2C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=C1	REAL300012072328	0	60	0.0	-70.58	456.86	15.35	-55.23
CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2CC2)=N1	REAL300012072329	0	51	0.0	-80.60	401.05	10.83	-69.77
COC1=CC=CC(C2=CSC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=N2)=C1	REAL300012072330	0	54	0.0	-79.55	438.74	10.91	-68.64
COC(=O)C1=C2COCCN2C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072331	0	56	0.0	-89.22	439.67	10.20	-79.02
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C(=O)N4CCCCC4)C=C3)C1)C2	REAL300012072332	0	61	0.0	-88.96	460.99	12.78	-76.18
CN1N=C(C2CC2)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072333	0	51	0.0	-82.84	398.84	10.49	-72.35
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072334	0	54	0.0	-84.33	417.29	13.82	-70.51
CC(C)C1=NOC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072335	0	49	0.0	-83.64	384.75	10.13	-73.51
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CNN=C3C3=CC=C(Cl)O3)C1)C2	REAL300012072336	0	48	0.0	-74.68	402.72	9.75	-64.93
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=C(C4CCOCC4)O3)C1)C2	REAL300012072337	0	54	0.0	-82.37	418.50	7.30	-75.07
COC1=NC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1F	REAL300012072338	0	47	0.0	-83.18	379.18	7.59	-75.59
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(Cl)C=CC=C3Br)C1)C2	REAL300012072339	0	44	0.0	-68.80	378.32	11.73	-57.07
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN4C=CN=C4S3)C1)C2	REAL300012072340	0	44	0.0	-89.76	363.55	10.80	-78.96
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C(C(C)(C)C)O1	REAL300012072341	0	56	0.0	-75.95	429.20	12.39	-63.56
CC1=C(C)SC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072342	0	46	0.0	-75.51	371.67	9.28	-66.23
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(CC4=CC=CC=C4)N=N3)C1)C2	REAL300012072343	0	53	0.0	-85.38	424.36	11.18	-74.20
CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)CC1	REAL300012072344	0	64	0.0	-85.60	470.23	11.84	-73.76
CC1=CC(Br)=CN=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072345	0	46	0.0	-79.06	379.59	10.15	-68.91
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(S(=O)(=O)C(F)F)=C3)C1)C2	REAL300012072346	0	50	0.0	-85.84	420.38	8.75	-77.09
CC1OC2=CC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)C=C2C1C	REAL300012072347	0	55	0.0	-80.18	419.92	11.95	-68.23
CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OC(F)F	REAL300012072348	0	51	0.0	-78.05	405.82	11.16	-66.89
CC(C)CC1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072349	0	56	0.0	-74.97	418.96	13.38	-61.59
CN1N=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1S(C)(=O)=O	REAL300012072350	0	50	0.0	-85.51	398.97	6.19	-79.32
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)NN=C1C(F)(F)F	REAL300012072351	0	47	0.0	-87.27	382.09	8.70	-78.57
CC(C)CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N=N1	REAL300012072352	0	52	0.0	-82.82	401.61	9.59	-73.23
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NC(C4CC4)=CS3)C1)C2	REAL300012072353	0	47	0.0	-75.79	382.04	10.09	-65.70
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(C(F)(F)F)=NN3)C1)C2	REAL300012072354	0	44	0.0	-87.86	367.79	8.20	-79.66
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C4CCOC4=C3)C1)C2	REAL300012072355	0	49	0.0	-78.17	382.35	10.69	-67.48
CN1C=C(Cl)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072356	0	44	0.0	-73.11	365.63	9.04	-64.07
CS(=O)(=O)C1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=CS1	REAL300012072357	0	47	0.0	-76.39	389.96	7.83	-68.56
CSC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072358	0	48	0.0	-78.24	386.71	11.85	-66.39
CC(C)C1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)N(C)N=C1	REAL300012072359	0	53	0.0	-82.47	408.66	10.32	-72.15
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC(C)=N1	REAL300012072360	0	49	0.0	-82.57	384.27	10.29	-72.28
CC1=C(Br)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C(C)S1	REAL300012072361	0	47	0.0	-71.90	395.04	11.79	-60.11
CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2=CC=CC(F)=C2)=N1	REAL300012072362	0	54	0.0	-80.53	431.81	12.06	-68.47
CCCN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=N1	REAL300012072363	0	53	0.0	-79.49	411.66	10.87	-68.62
CCN1C=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072364	0	47	0.0	-76.02	370.61	9.42	-66.60
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=NC=CC=C4O3)C1)C2	REAL300012072365	0	46	0.0	-83.97	368.83	9.54	-74.43
CC1=C(C)OC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072366	0	46	0.0	-76.47	363.62	6.94	-69.53
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(CC4CC4)S3)C1)C2	REAL300012072367	0	51	0.0	-75.74	411.40	13.09	-62.65
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OC4CC4)C=C3)C1)C2	REAL300012072368	0	52	0.0	-78.93	407.03	11.81	-67.12
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(OC(F)(F)F)C=C3F)C1)C2	REAL300012072369	0	48	0.0	-79.11	397.76	10.65	-68.46
CC1=NC=CN1C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=C1	REAL300012072370	0	57	0.0	-85.61	441.10	13.92	-71.69
CC1=C(C)N(C2=CC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)C=C2)C=N1	REAL300012072371	0	57	0.0	-86.85	444.22	14.45	-72.40
CNC(=O)C1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072372	0	51	0.0	-84.40	402.97	9.11	-75.29
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4CC4)C(C4CC4)=C3)C1)C2	REAL300012072373	0	58	0.0	-76.74	440.95	14.87	-61.87
CCNC(=O)C1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072375	0	54	0.0	-83.88	424.45	9.95	-73.93
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)OC2=CC=C(F)C=C12	REAL300012072376	0	50	0.0	-82.87	400.90	12.06	-70.81
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(C4CCC4)=NN3)C1)C2	REAL300012072377	0	51	0.0	-82.58	393.63	9.74	-72.84
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072378	0	54	0.0	-86.35	426.60	11.96	-74.39
CCCN1C=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072379	0	50	0.0	-75.92	392.11	10.18	-65.74
CC(C)N1C=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072380	0	50	0.0	-75.44	389.27	9.92	-65.52
CC(C)(C)C1=CN=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072381	0	55	0.0	-79.78	417.93	11.34	-68.44
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NN(CC(F)(F)F)C=C3)C1)C2	REAL300012072382	0	47	0.0	-80.99	388.48	9.91	-71.08
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=C3C3=C(C=CC=C3)N4)C1)C2	REAL300012072383	0	54	0.0	-75.88	419.36	12.88	-63.00
CN1C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=NC2=C1CCCC2	REAL300012072384	0	54	0.0	-80.93	409.78	11.52	-69.41
COC1=NC(Cl)=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072385	0	47	0.0	-80.54	389.12	8.03	-72.51
CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C(F)(F)F)=N1	REAL300012072386	0	47	0.0	-77.71	384.94	9.68	-68.03
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(C(F)F)=C3F)C1)C2	REAL300012072387	0	47	0.0	-76.47	382.37	11.71	-64.76
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=C3COCC4)C1)C2	REAL300012072388	0	52	0.0	-78.74	392.94	10.83	-67.91
CCOC1=CC=C(Cl)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072389	0	51	0.0	-74.05	412.93	11.65	-62.40
COC1=NN(C)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072390	0	48	0.0	-77.57	381.90	6.58	-70.99
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NC4=C(COCC4)S3)C1)C2	REAL300012072391	0	48	0.0	-77.43	385.59	8.17	-69.26
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CNN=C3C3=CC=CC(F)=C3)C1)C2	REAL300012072392	0	51	0.0	-81.16	409.24	10.75	-70.41
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=C(CCCC4)O3)C1)C2	REAL300012072393	0	51	0.0	-76.89	390.45	11.67	-65.22
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(F)=CC([N+](=O)[O-])=C3)C1)C2	REAL300012072394	0	46	0.0	-92.42	381.15	11.59	-80.83
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(C4CCCCC4)N=C3)C1)C2	REAL300012072395	0	57	0.0	-78.13	431.14	11.89	-66.24
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(Cl)N(C4=CC=CC=C4)N=C3)C1)C2	REAL300012072396	0	51	0.0	-79.92	420.03	12.31	-67.61
CN(CCO)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=N1	REAL300012072397	0	55	0.0	-79.91	426.10	8.41	-71.50
COC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=CC=C1C(C)(C)C	REAL300012072398	0	60	0.0	-73.08	438.03	12.64	-60.44
CN1C=C(Br)N=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072399	0	44	0.0	-82.40	367.55	9.69	-72.71
COC1=CC(C)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=N1	REAL300012072400	0	50	0.0	-81.25	388.84	8.16	-73.09
COC1=CC(C)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1O	REAL300012072401	0	52	0.0	-80.80	402.11	8.51	-72.29
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CC=C(F)C=C4NC3=O)C1)C2	REAL300012072402	0	50	0.0	-83.22	403.27	9.95	-73.27
CN1C(=O)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC2=CC=CC=C21	REAL300012072403	0	53	0.0	-79.09	413.87	11.64	-67.45
COC1=NC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1C	REAL300012072404	0	50	0.0	-79.04	393.46	8.22	-70.82
CCCN1C=NC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072405	0	50	0.0	-79.38	384.80	11.71	-67.67
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CNC3=O)C1)C2	REAL300012072406	0	44	0.0	-74.34	350.14	7.77	-66.57
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC=CC3=CC=C4OCOC4=C3)C1)C2	REAL300012072407	0	51	0.0	-84.23	403.60	10.78	-73.45
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(CC4CCC4)C=C3)C1)C2	REAL300012072408	0	57	0.0	-76.13	437.30	14.37	-61.76
CCC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=NN1CC	REAL300012072409	0	53	0.0	-77.80	405.55	10.76	-67.04
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(F)C=CC(Cl)=C3F)C1)C2	REAL300012072410	0	44	0.0	-73.84	373.34	11.39	-62.45
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(C4CC4)=NN3)C1)C2	REAL300012072411	0	48	0.0	-83.33	378.14	9.29	-74.04
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NN3C3CC3(F)F)C1)C2	REAL300012072412	0	48	0.0	-89.05	390.75	10.41	-78.64
COC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=CS1	REAL300012072413	0	45	0.0	-72.50	368.03	9.25	-63.25
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C(F)(F)F)=CO1	REAL300012072414	0	47	0.0	-77.34	385.51	10.62	-66.72
CC(F)(F)C1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072415	0	50	0.0	-81.00	399.71	12.36	-68.64
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CSC=C4)N=C3)C1)C2	REAL300012072416	0	50	0.0	-83.33	409.46	11.63	-71.70
CN1C=C(C2=NNC=C2C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=N1	REAL300012072417	0	51	0.0	-79.86	406.78	8.53	-71.33
CCCN1N=C(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1Cl	REAL300012072418	0	53	0.0	-76.06	427.62	11.10	-64.96
CC(C)(C#N)C1=NC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)S1	REAL300012072419	0	50	0.0	-85.59	412.61	10.23	-75.36
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(F)=CC(F)=C3F)C1)C2	REAL300012072420	0	44	0.0	-79.50	364.76	10.99	-68.51
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CSC=C4)C=C3)C1)C2	REAL300012072421	0	51	0.0	-79.43	411.74	13.26	-66.17
CC(C)(C)C1=NNC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072422	0	53	0.0	-81.44	408.49	9.66	-71.78
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=CC(Cl)=CC=C43)C1)C2	REAL300012072423	0	50	0.0	-81.23	403.86	13.47	-67.76
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3OC3CCCCC3)C1)C2	REAL300012072424	0	61	0.0	-70.97	456.05	13.66	-57.31
C=CCC1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072425	0	51	0.0	-75.20	393.60	12.71	-62.49
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3COC3CCCCC3)C1)C2	REAL300012072426	0	64	0.0	-77.91	476.72	14.35	-63.56
CCN1CCCC2=CC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=CC=C21	REAL300012072427	0	59	0.0	-75.71	435.47	11.86	-63.85
COCC1=CN=C(OC)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072428	0	54	0.0	-76.43	426.38	7.37	-69.06
CN1N=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1Br	REAL300012072429	0	44	0.0	-76.07	368.92	9.05	-67.02
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC=CC3=CC=CC=C3)C1)C2	REAL300012072430	0	48	0.0	-78.51	377.56	12.13	-66.38
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN=NN3C3CC3)C1)C2	REAL300012072431	0	47	0.0	-88.26	372.68	8.86	-79.40
COCC1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072432	0	51	0.0	-77.77	392.96	10.68	-67.09
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(SC(F)(F)F)=C3)C1)C2	REAL300012072433	0	48	0.0	-82.44	402.89	12.29	-70.15
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C4C(=C3)CCC43OCCO3)C1)C2	REAL300012072434	0	57	0.0	-81.09	439.73	11.52	-69.57
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C4CCOCC4=C3)C1)C2	REAL300012072435	0	52	0.0	-78.72	400.24	10.93	-67.79
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(CCO)N=C3)C1)C2	REAL300012072436	0	48	0.0	-81.87	382.26	6.14	-75.73
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)SC2=CC(F)=CC=C12	REAL300012072437	0	50	0.0	-80.01	407.22	12.93	-67.08
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(C4=CC=NC=C4)=NN3)C1)C2	REAL300012072438	0	50	0.0	-87.73	401.15	9.01	-78.72
COC1=CC=C(F)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1OC	REAL300012072439	0	52	0.0	-71.20	412.24	10.18	-61.02
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC=CC3=CC=NC=C3)C1)C2	REAL300012072440	0	47	0.0	-83.65	372.58	10.36	-73.29
CN1C=CC(C2=NNC=C2C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072441	0	51	0.0	-74.02	406.82	8.90	-65.12
CC1=CC=C(F)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1Br	REAL300012072442	0	47	0.0	-69.17	388.13	11.92	-57.25
C=CC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012072443	0	48	0.0	-78.12	377.31	11.93	-66.19
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(OCC4CCC4)=C3)C1)C2	REAL300012072444	0	58	0.0	-76.20	446.09	13.19	-63.01
CC(F)(F)C1=CC=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072445	0	50	0.0	-75.61	386.98	12.34	-63.27
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC=C1OCCO	REAL300012072446	0	56	0.0	-85.20	438.47	7.87	-77.33
CCN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2CC2)=N1	REAL300012072447	0	54	0.0	-79.59	422.86	11.65	-67.94
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1OCCO	REAL300012072448	0	56	0.0	-85.68	438.47	7.87	-77.81
CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2=CC=NN2C)=N1	REAL300012072449	0	54	0.0	-78.74	432.02	9.75	-68.99
CC(C)(C)C1=NOC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072450	0	52	0.0	-86.26	394.12	10.58	-75.68
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CN=CC=C4C=C3)C1)C2	REAL300012072451	0	49	0.0	-84.01	387.52	11.32	-72.69
CC1=CC2=CC=CC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=C2O1	REAL300012072452	0	50	0.0	-74.21	395.76	11.99	-62.22
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(F)=C3C(F)(F)F)C1)C2	REAL300012072453	0	47	0.0	-86.11	379.90	11.94	-74.17
COC1=CSC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1OC	REAL300012072454	0	49	0.0	-76.95	395.36	8.98	-67.97
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CON=C3C3CCC3)C1)C2	REAL300012072455	0	50	0.0	-85.17	390.90	10.92	-74.25
CS(=O)(=O)C1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)SC=C1	REAL300012072456	0	47	0.0	-79.03	388.34	7.49	-71.54
CS(=O)(=O)C1=COC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072457	0	47	0.0	-87.01	389.98	6.43	-80.58
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C(F)(F)F)C=C3F)C1)C2	REAL300012072458	0	47	0.0	-80.31	390.51	11.87	-68.44
CC(C)OC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1F	REAL300012072459	0	54	0.0	-83.94	422.01	11.76	-72.18
CCN1C=C(Cl)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072460	0	47	0.0	-72.86	387.16	9.91	-62.95
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(F)C(Cl)=C3F)C1)C2	REAL300012072461	0	44	0.0	-83.13	373.07	11.44	-71.69
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(C(F)F)=C3)C1)C2	REAL300012072462	0	47	0.0	-80.31	378.68	11.70	-68.61
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(F)C4=CC=CC=C4C=C3)C1)C2	REAL300012072463	0	50	0.0	-75.70	396.69	13.10	-62.60
CS(=O)(=O)C1=CSC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072464	0	47	0.0	-84.36	398.43	7.44	-76.92
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CSC(Cl)=C3)C1)C2	REAL300012072465	0	41	0.0	-79.07	353.55	10.41	-68.66
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=NN1C1CCC1	REAL300012072466	0	54	0.0	-78.66	415.43	11.25	-67.41
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(C4=CC=CC(Cl)=C4)N=C3)C1)C2	REAL300012072467	0	51	0.0	-81.83	422.05	12.57	-69.26
CC1=NN(C2CCCC2)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072468	0	57	0.0	-83.88	434.61	11.91	-71.97
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NN3CC(F)F)C1)C2	REAL300012072469	0	47	0.0	-81.29	378.87	9.47	-71.82
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072470	0	54	0.0	-81.83	425.90	11.51	-70.32
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(Cl)=C3C(F)(F)F)C1)C2	REAL300012072471	0	47	0.0	-85.06	387.65	12.29	-72.77
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(F)C=CN=C3Cl)C1)C2	REAL300012072472	0	43	0.0	-74.83	360.70	9.44	-65.39
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(C4=CC=CC(F)=C4)N=C3)C1)C2	REAL300012072473	0	51	0.0	-82.44	411.73	12.12	-70.32
CN(C)C1=CN=CC(F)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072474	0	51	0.0	-73.44	400.37	8.94	-64.50
COC1=NC(C)=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=C1Cl	REAL300012072475	0	53	0.0	-85.20	420.42	9.07	-76.13
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072476	0	53	0.0	-82.46	421.13	11.16	-71.30
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NN(C4CCC4)C=C3)C1)C2	REAL300012072477	0	51	0.0	-75.50	394.39	10.52	-64.98
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NN(CC(F)F)C=C3)C1)C2	REAL300012072478	0	47	0.0	-79.41	383.60	9.71	-69.70
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NN(C4CC4(F)F)C=C3)C1)C2	REAL300012072479	0	48	0.0	-81.60	392.11	10.28	-71.32
CC1=NN(C2CCCCC2)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072480	0	60	0.0	-78.87	451.24	12.42	-66.45
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CN(C4CCOCC4)N=C3)C1)C2	REAL300012072481	0	55	0.0	-80.33	421.93	9.49	-70.84
CC1=NN(C2CCOCC2)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072482	0	58	0.0	-79.30	441.51	10.07	-69.23
CC1=CN(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072483	0	47	0.0	-78.08	367.75	9.80	-68.28
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NN(C4CCCC4)C=C3)C1)C2	REAL300012072484	0	54	0.0	-75.28	411.97	11.19	-64.09
NS(=O)(=O)C1=CSC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072485	0	46	0.0	-85.55	391.92	4.84	-80.71
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=NC=C(Cl)C=C3Cl)C1)C2	REAL300012072486	0	43	0.0	-73.61	372.04	9.93	-63.68
CC1=NSC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072487	0	43	0.0	-81.86	348.48	8.97	-72.89
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C(=O)N4CCOCC4)C=C3)C1)C2	REAL300012072488	0	59	0.0	-90.02	452.31	10.35	-79.67
CC1=NN(C2CCCC2)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072489	0	57	0.0	-78.85	432.30	11.82	-67.03
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3C(F)F)C1)C2	REAL300012072490	0	47	0.0	-75.64	370.16	11.82	-63.82
CC1=CC(Br)=C(F)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072491	0	47	0.0	-77.77	393.01	12.15	-65.62
COC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1Br	REAL300012072492	0	48	0.0	-72.56	391.36	10.73	-61.83
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=CNN=C4C=C3)C1)C2	REAL300012072493	0	47	0.0	-86.18	372.74	9.54	-76.64
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(Cl)C(F)=C3F)C1)C2	REAL300012072494	0	44	0.0	-83.45	373.51	11.45	-72.00
CC1=C(F)C=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072495	0	47	0.0	-80.08	366.92	11.43	-68.65
CN1C=C(C2=CC=CC(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)=C2)C=N1	REAL300012072496	0	54	0.0	-81.83	426.61	12.12	-69.71
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C([N+](=O)[O-])C(OC4CC4)=C3)C1)C2	REAL300012072497	0	54	0.0	-98.14	433.05	13.24	-84.90
CC1=CC=C(Br)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072498	0	47	0.0	-77.82	382.63	12.06	-65.76
COC1=C(C#N)C=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072499	0	49	0.0	-83.61	396.23	10.69	-72.92
COC1=NC2=CC=C(C[NH2+]C3CC4(C3)CC3(CC(C(=O)[O-])C3)C4)C=C2S1	REAL300012072500	0	50	0.0	-85.32	410.90	8.65	-76.67
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=NC(Br)=C3)C1)C2	REAL300012072501	0	43	0.0	-86.10	362.83	9.57	-76.53
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(F)=CC(Cl)=C3Cl)C1)C2	REAL300012072502	0	44	0.0	-76.89	380.77	11.80	-65.09
CC1=NC(Cl)=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072503	0	46	0.0	-83.65	373.33	10.07	-73.58
CC(C)(C)COC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072504	0	60	0.0	-77.09	458.28	13.17	-63.92
COC1=CC(Cl)=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072505	0	48	0.0	-79.35	392.76	10.66	-68.69
COC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CC(F)=C1F	REAL300012072506	0	48	0.0	-89.54	388.55	10.27	-79.27
COC1=CC(C)=NC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072507	0	50	0.0	-74.63	391.79	9.03	-65.60
CC(C)N1C=NC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072508	0	50	0.0	-75.02	389.66	11.40	-63.62
CN1N=CC=C1C1=NNC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072509	0	51	0.0	-79.52	409.10	8.42	-71.10
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2CC2)=NO1	REAL300012072510	0	50	0.0	-82.25	395.75	11.24	-71.01
COC(=O)C1=C(C)NC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1C	REAL300012072511	0	54	0.0	-84.70	430.21	10.52	-74.18
CC(C)OC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)O1	REAL300012072512	0	51	0.0	-79.47	402.12	11.07	-68.40
CC1=CC(Br)=CC(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072513	0	50	0.0	-78.66	400.97	12.51	-66.15
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(O)C=CC(F)=C3Br)C1)C2	REAL300012072514	0	45	0.0	-77.47	379.99	8.57	-68.90
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(Cl)C=CC4=C3OCO4)C1)C2	REAL300012072515	0	47	0.0	-71.66	386.60	9.90	-61.76
N#CC1=CC(F)=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072516	0	45	0.0	-89.21	373.80	11.30	-77.91
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4CCCCC4)C=C3)C1)C2	REAL300012072517	0	60	0.0	-75.21	448.33	14.65	-60.56
COC1=CC=CC=C1C=CC[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072518	0	52	0.0	-77.62	405.94	11.49	-66.13
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)SC(Br)=C1	REAL300012072519	0	44	0.0	-77.77	376.90	11.25	-66.52
CC1=NN(C2CCC2)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072520	0	54	0.0	-79.70	414.34	11.20	-68.50
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=NN1CC(F)F	REAL300012072521	0	50	0.0	-84.18	401.05	10.26	-73.92
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=CC=N4)N=C3)C1)C2	REAL300012072522	0	52	0.0	-84.64	415.71	11.19	-73.45
CCCN1N=C(C)C(Cl)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072523	0	53	0.0	-80.69	428.90	11.10	-69.59
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072524	0	51	0.0	-87.64	409.84	10.09	-77.55
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(CC4=CC=CC=C4)C=C3)C1)C2	REAL300012072525	0	57	0.0	-77.30	448.96	15.31	-61.99
CCCCC(=O)NC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012072526	0	60	0.0	-82.63	465.83	12.10	-70.53
COC1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=N1	REAL300012072527	0	50	0.0	-81.29	388.63	8.12	-73.17
CCN(C)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C)=C1	REAL300012072528	0	58	0.0	-73.86	434.65	12.81	-61.05
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC(Cl)=CN=C3Br)C1)C2	REAL300012072529	0	43	0.0	-76.42	373.79	10.02	-66.40
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C(Cl)C(Cl)=CS3)C1)C2	REAL300012072530	0	41	0.0	-75.83	367.65	10.87	-64.96
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072531	0	65	0.0	-76.88	473.05	12.92	-63.96
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=NS1	REAL300012072532	0	43	0.0	-81.55	349.25	9.25	-72.30
COC1=CC(C)=CC(OC)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072533	0	55	0.0	-67.68	424.24	10.22	-57.46
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(CF)C=C3)C1)C2	REAL300012072534	0	47	0.0	-79.71	374.15	11.67	-68.04
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C4SC=CC4=C3)C1)C2	REAL300012072535	0	47	0.0	-80.73	383.41	12.21	-68.52
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3)C1)C2	REAL300012072536	0	53	0.0	-83.80	415.60	12.50	-71.30
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3CO)C1)C2	REAL300012072537	0	48	0.0	-79.26	370.70	8.28	-70.98
CC1=NSC(C)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072538	0	46	0.0	-81.97	368.77	9.68	-72.29
CC(C)(C)C1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=NO1	REAL300012072539	0	52	0.0	-78.91	389.73	10.88	-68.03
CC1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1C(F)(F)F	REAL300012072540	0	50	0.0	-79.63	391.23	12.42	-67.21
C=CCN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=N1	REAL300012072541	0	48	0.0	-79.76	383.64	10.05	-69.71
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=NNC=C4C=C3)C1)C2	REAL300012072542	0	47	0.0	-82.38	372.74	9.54	-72.84
CCC(C)C1=CC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=C1	REAL300012072543	0	56	0.0	-76.17	424.84	13.43	-62.74
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=C4SC(C(F)F)=NC4=CC=C3)C1)C2	REAL300012072544	0	49	0.0	-80.66	411.91	11.19	-69.47
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC4=C(CCOC4)N=C3Cl)C1)C2	REAL300012072545	0	51	0.0	-81.86	407.08	9.49	-72.37
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072546	0	57	0.0	-79.63	444.79	13.34	-66.29
CC(F)(F)C1=CC=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=N1	REAL300012072547	0	49	0.0	-82.68	395.27	10.78	-71.90
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC4=C3CCCC4)C1)C2	REAL300012072548	0	54	0.0	-77.16	401.53	13.21	-63.95
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072549	0	51	0.0	-82.00	406.99	12.74	-69.26
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC(C(F)(F)F)=C3F)C1)C2	REAL300012072550	0	47	0.0	-79.91	389.68	11.84	-68.07
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(N4C=CN=N4)C=C3)C1)C2	REAL300012072551	0	50	0.0	-90.66	398.53	10.76	-79.90
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C=CC2=CC=CC=C21	REAL300012072552	0	53	0.0	-78.12	403.98	13.53	-64.59
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072553	0	62	0.0	-78.84	471.38	12.49	-66.35
COC1=C2C=CNC2=CC=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072554	0	52	0.0	-73.50	407.46	10.26	-63.24
CC1=NC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C(C)S1	REAL300012072555	0	46	0.0	-73.79	373.12	9.31	-64.48
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=C(N4CCC(O)C4)C=C3)C1)C2	REAL300012072556	0	57	0.0	-78.51	434.13	7.85	-70.66
COC1=CC=C(OC)C(OC)=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072557	0	56	0.0	-69.91	433.71	9.46	-60.45
CCCN1N=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1C	REAL300012072558	0	53	0.0	-78.98	409.41	10.74	-68.24
O=C([O-])C1CC2(C1)CC1(CC([NH2+]CC3=CC=CC=C3C(=O)N3CCCCC3)C1)C2	REAL300012072559	0	61	0.0	-70.37	454.82	12.68	-57.69
CC1=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C2=NC=CC=C2C=C1	REAL300012072560	0	52	0.0	-72.62	401.95	11.93	-60.69
CC1=CC(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=CN=C1N1C=CC=N1	REAL300012072561	0	53	0.0	-86.44	418.66	12.18	-74.26
COC(=O)C1=CN(C)C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)=C1	REAL300012072562	0	51	0.0	-84.92	408.45	10.95	-73.97
CCCN1N=C(C)C=C1C[NH2+]C1CC2(C1)CC1(CC(C(=O)[O-])C1)C2	REAL300012072563	0	53	0.0	-83.20	412.14	10.66	-72.54
CN1C=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)C(C2CCC2)=N1	REAL300012072564	0	54	0.0	-79.68	417.77	11.27	-68.41
CC(C)(C)C1=NC=C(C[NH2+]C2CC3(C2)CC2(CC(C(=O)[O-])C2)C3)O1	REAL300012072565	0	52	0.0	-80.12	405.40	8.33	-71.79
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300012072566	0	51	0.0	-28.59	366.70	12.11	-16.48
CC1=CC=C(C)C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072567	0	51	0.0	-28.15	367.16	12.11	-16.04
CC(C)CC([NH2+]CC1=CC2=CC=CN=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072568	0	50	0.0	-33.07	372.23	11.24	-21.83
CC(C)CC([NH2+]CC1CC2C=CC1C2)(C(=O)[O-])C1=CC=CC=C1	REAL300012072569	0	50	0.0	-29.69	348.22	11.42	-18.27
CC(C)CC([NH2+]CC1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072570	0	51	0.0	-28.54	352.06	11.22	-17.32
CC(C)CC([NH2+]CC1=CC=C(C(C)(C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072571	0	57	0.0	-28.02	407.73	13.22	-14.80
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072573	0	55	0.0	-35.25	409.33	12.73	-22.52
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC(F)F	REAL300012072574	0	53	0.0	-32.76	399.61	10.36	-22.40
CCOC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300012072575	0	56	0.0	-34.69	415.40	11.19	-23.50
CCCCCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072576	0	61	0.0	-31.75	450.97	13.67	-18.08
CC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300012072577	0	51	0.0	-28.62	361.41	11.93	-16.69
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300012072578	0	51	0.0	-27.32	369.52	12.08	-15.24
CCCCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300012072579	0	62	0.0	-34.48	458.40	12.77	-21.71
CCCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300012072580	0	59	0.0	-34.46	436.90	11.99	-22.47
C=CCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300012072581	0	57	0.0	-35.09	428.31	11.77	-23.32
CC(C)CC([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072582	1	52	0.0	-32.19	411.73	13.48	-18.71
CC(C)CC([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072583	1	52	0.0	-31.74	411.83	13.52	-18.22
CC(C)CC([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072584	0	55	0.0	-35.47	419.04	12.74	-22.73
CC(C)CC([NH2+]CC1=CC=C(SC(F)(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072586	0	49	0.0	-33.24	391.52	12.55	-20.69
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(Cl)=C1	REAL300012072587	0	49	0.0	-23.65	369.07	10.44	-13.21
CC(C)CC([NH2+]CC1=CC=C(OC(F)(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072588	0	49	0.0	-29.29	376.85	10.67	-18.62
CC(C)CC([NH2+]CC1=CC=CC(C#N)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072589	0	46	0.0	-37.16	355.66	11.45	-25.71
CC(C)CC([NH2+]CC1=CSC2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300012072590	0	48	0.0	-28.02	364.80	12.17	-15.85
CC(C)CC([NH2+]CC1=CC2=CC=CC=C2OC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072591	0	51	0.0	-33.28	380.31	11.55	-21.73
CC1=CC=C(C2=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)O2)C=C1	REAL300012072592	1	55	0.0	-26.07	412.75	13.45	-12.62
CC(C)CC([NH2+]CC1=CC=C(OCC2CCCO2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072593	0	60	0.0	-34.51	443.44	11.69	-22.82
CC(C)CC([NH2+]CC1=CC=C(Cl)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072594	0	42	0.0	-30.43	341.99	10.78	-19.65
CC(C)CC([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072595	0	52	0.0	-31.62	408.97	13.89	-17.73
CC(C)CC([NH2+]CC1=CC=CC2=CC=CN=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300012072596	0	50	0.0	-30.40	372.59	11.75	-18.65
CC(C)CC([NH2+]CC1=CC=C(N2C=CC=N2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072597	0	52	0.0	-36.89	393.46	12.29	-24.60
CC(C)CC([NH2+]CC1=CC=C(N2C=NC=N2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072598	0	51	0.0	-38.09	384.14	13.40	-24.69
CC(C)CC([NH2+]CC1=CC=C(C2=CC=CC=C2F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072599	0	52	0.0	-31.29	411.83	14.02	-17.27
CCC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300012072600	1	48	0.0	-29.71	359.26	10.82	-18.89
CC(C)CC([NH2+]CC1=CC(F)=CC=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072601	0	45	0.0	-29.43	345.59	11.14	-18.29
CC(C)CC([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012072602	0	48	0.0	-27.05	378.84	12.27	-14.78
CC(C)CC([NH2+]CC1=CC=C(F)C=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012072603	0	45	0.0	-23.34	346.00	11.22	-12.12
CC(C)CC([NH2+]CC1=CC=C(F)C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072604	0	45	0.0	-34.98	357.39	11.63	-23.35
CC(C)CC([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072605	0	48	0.0	-37.06	379.12	12.12	-24.94
CCOC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072606	0	52	0.0	-31.52	382.51	11.11	-20.41
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300012072607	0	48	0.0	-27.51	357.83	11.59	-15.92
CC(C)CC([NH2+]CC1=CC(Cl)=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012072608	0	45	0.0	-27.75	359.24	11.84	-15.91
CC(C)CC([NH2+]CC1=CC(F)=C(F)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072609	0	45	0.0	-33.34	350.53	11.08	-22.26
CC(C)CC([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072610	0	48	0.0	-30.60	376.24	11.94	-18.66
CC(C)CC([NH2+]CC1=CC(C(F)(F)F)=CC=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072611	0	48	0.0	-30.19	374.59	12.00	-18.19
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(Cl)=C1OC	REAL300012072612	0	53	0.0	-25.00	401.51	10.49	-14.51
CC(C)CC([NH2+]CC1=CC2=CC=CC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072613	0	48	0.0	-30.86	372.50	12.63	-18.23
CC(C)CC([NH2+]CC1=CC=C(Cl)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072614	0	45	0.0	-35.02	357.39	11.64	-23.38
CC(C)CC([NH2+]CC1=CC=CN=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012072615	0	44	0.0	-31.73	336.60	9.48	-22.25
COCCOC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072616	0	56	0.0	-32.75	416.09	10.37	-22.38
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300012072617	0	49	0.0	-34.08	380.33	10.92	-23.16
CC(C)CC([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072619	0	52	0.0	-34.64	402.08	11.57	-23.07
CC(C)CC([NH2+]CC1=CC=CC2=C1OCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300012072620	0	51	0.0	-31.28	374.32	10.33	-20.95
CC(C)CC([NH2+]CC1=CC=CC2=C1OCCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300012072621	0	54	0.0	-30.33	390.71	11.04	-19.29
CCCOC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072622	0	55	0.0	-30.57	407.66	12.09	-18.48
CC(C)CC([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072623	0	52	0.0	-29.39	397.58	13.47	-15.92
CC(C)CC([NH2+]CC1=CC=CC(OC2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072624	0	59	0.0	-31.43	425.34	13.09	-18.34
CC(C)CC([NH2+]CC1=CC=CC(OC(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072625	0	55	0.0	-29.12	400.48	11.73	-17.39
CC(C)CC([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072630	0	52	0.0	-33.42	405.79	13.74	-19.68
CC1=CC=C(C2=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)S2)C=C1	REAL300012072631	0	55	0.0	-30.66	420.77	14.35	-16.31
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072632	0	49	0.0	-31.01	395.13	11.55	-19.46
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)OC=C1	REAL300012072633	1	45	0.0	-25.30	332.41	9.65	-15.65
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CN=C1Cl	REAL300012072634	0	47	0.0	-35.58	365.30	10.30	-25.28
CC1=CC=C(C2=NC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)S2)C=C1	REAL300012072635	1	54	0.0	-29.66	417.96	12.59	-17.07
CC(C)CC([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300012072636	0	50	0.0	-29.47	387.53	11.91	-17.56
CC(C)CC([NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072637	1	52	0.0	-33.41	409.48	13.12	-20.29
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300012072638	1	55	0.0	-32.24	421.94	13.71	-18.53
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)O2)C=C1	REAL300012072639	1	58	0.0	-25.90	434.24	14.24	-11.66
COC1=CC=C2OC(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)=CC2=C1	REAL300012072640	1	52	0.0	-33.31	392.11	10.87	-22.44
CC(C)CC([NH2+]CC=CC1=CC=C(Cl)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072641	0	49	0.0	-31.19	378.72	12.68	-18.51
CC(C)CC([NH2+]CC1=COC2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300012072642	0	48	0.0	-27.85	357.24	11.20	-16.65
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1Br	REAL300012072644	0	48	0.0	-31.54	374.29	12.25	-19.29
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)N=C1	REAL300012072645	1	47	0.0	-24.71	347.52	9.71	-15.00
CC(C)CC([NH2+]CC=CC1=CC=C(F)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072646	0	49	0.0	-36.12	374.07	12.28	-23.84
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1Br	REAL300012072647	0	48	0.0	-28.73	370.61	12.07	-16.66
CC(C)CC([NH2+]CC1=CC(Cl)=CC2=C1OCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300012072650	0	50	0.0	-26.10	384.03	11.25	-14.85
CC(C)CC([NH2+]CC1=CC2=C(F)C=CC=C2N1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072651	0	49	0.0	-33.34	369.92	10.91	-22.43
CC(C)CC([NH2+]CC1=CC2=CC=C(F)C=C2N1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072652	0	49	0.0	-30.88	369.82	10.90	-19.98
CCOC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300012072653	0	51	0.0	-31.86	383.82	8.67	-23.19
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC2=CC=CN=C12	REAL300012072654	0	53	0.0	-30.45	392.35	12.08	-18.37
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1Cl	REAL300012072655	0	48	0.0	-32.16	370.27	12.17	-19.99
CC(C)CC([NH2+]CC1=CN=C2C=CSC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072656	0	47	0.0	-30.21	362.98	10.36	-19.85
CCCC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072657	0	54	0.0	-29.47	399.12	13.26	-16.21
CCN(CC)C1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300012072658	0	59	0.0	-31.85	430.38	11.94	-19.91
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1C#N	REAL300012072661	0	50	0.0	-40.37	384.51	10.78	-29.59
CC(C)CC([NH2+]CC1=CC=C(SC(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072662	0	49	0.0	-31.58	381.35	12.16	-19.42
CC(C)CC([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072663	0	49	0.0	-32.87	376.59	10.52	-22.35
CCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)N=C1	REAL300012072664	0	51	0.0	-31.44	381.21	9.44	-22.00
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072665	0	51	0.0	-32.47	384.03	12.44	-20.03
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1OC	REAL300012072666	0	53	0.0	-30.27	409.81	10.72	-19.55
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OCC(C)C	REAL300012072667	0	62	0.0	-34.42	457.00	12.67	-21.75
CCCOC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300012072668	0	59	0.0	-34.66	436.90	11.99	-22.67
CC(C)CC([NH2+]CC1=CC=C(Br)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072669	0	42	0.0	-30.12	343.43	10.73	-19.39
C=CCOC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072670	0	53	0.0	-30.90	398.99	11.87	-19.03
CCCCOC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300012072671	0	62	0.0	-34.62	458.40	12.77	-21.85
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC(F)F	REAL300012072672	0	53	0.0	-28.95	399.62	10.36	-18.59
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC(C)=C1OC(F)F	REAL300012072673	0	55	0.0	-30.90	408.86	11.88	-19.02
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC2=C1OCCO2	REAL300012072674	0	55	0.0	-31.19	404.80	9.90	-21.29
CC1=CC(C)=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300012072675	0	54	0.0	-25.55	380.59	12.57	-12.98
CC(C)CC([NH2+]CC1=CC=C(C2=CC=CC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072676	0	52	0.0	-27.06	398.99	13.67	-13.39
CC(C)CC([NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072677	1	52	0.0	-30.46	406.06	12.96	-17.50
CC(C)CC([NH2+]CC1CCC(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072678	0	54	0.0	-28.60	365.87	11.61	-16.99
CC(C)CC([NH2+]CC(C)CCC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072679	0	57	0.0	-32.59	409.78	13.78	-18.81
CCC1CCCC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012072680	0	57	0.0	-29.45	387.50	12.40	-17.05
CC1=C(C)C=C2OC(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)=CC2=C1	REAL300012072682	1	54	0.0	-26.09	397.28	12.60	-13.49
CCCC1CCC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012072683	0	60	0.0	-29.45	416.78	13.43	-16.02
CC(C)CC([NH2+]CC1CCCCC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072684	0	54	0.0	-30.04	362.50	11.46	-18.58
CC(C)CC([NH2+]CC1=CC=C(N2C=CN=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072685	0	52	0.0	-37.97	391.08	13.47	-24.50
CC(C)CC([NH2+]CC1=CC=C(C2=CC=CC=C2F)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072686	1	52	0.0	-32.74	403.40	13.08	-19.66
CC(C)CC([NH2+]CC1=CC(Cl)=C2OCCOC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072687	0	51	0.0	-34.39	395.27	10.77	-23.62
COC1=CC=C(C)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072688	0	52	0.0	-28.47	380.92	11.19	-17.28
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300012072689	0	49	0.0	-34.08	366.83	10.25	-23.83
CC(C)CC([NH2+]CC1CCC(C(F)(F)F)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072690	0	54	0.0	-32.59	384.16	11.97	-20.62
CC(C)CC([NH2+]CC1CCOC(C(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072691	0	58	0.0	-31.48	405.65	11.09	-20.39
CC(C)CC([NH2+]CC1CCC(C)(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072692	0	57	0.0	-29.59	386.27	12.11	-17.48
CCSC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072693	0	52	0.0	-31.66	392.84	12.74	-18.92
CC(C)CC([NH2+]CC1=C(O)C=CC(Cl)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072694	1	46	0.0	-34.63	361.83	8.66	-25.97
CCCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072696	0	55	0.0	-31.72	407.97	12.11	-19.61
CC(C)CC([NH2+]CC1=CC2=CC=CC=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072697	1	48	0.0	-26.24	358.99	11.41	-14.83
CC(C)CC([NH2+]CC1=CC=C(C2=CC=CC=C2)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072698	1	52	0.0	-31.68	395.00	12.96	-18.72
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC(C)C	REAL300012072699	0	59	0.0	-34.50	433.29	11.80	-22.70
CCCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OCC	REAL300012072700	0	62	0.0	-34.47	458.76	12.91	-21.56
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012072701	0	50	0.0	-41.07	374.89	12.11	-28.96
CC(C)CC([NH2+]CC1=CC=C(OC(C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072702	0	55	0.0	-30.10	400.35	11.76	-18.34
CC(C)CC([NH2+]CC(C)CC1=CC=C(C(C)(C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072703	0	66	0.0	-31.37	468.48	15.45	-15.92
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1F	REAL300012072704	0	48	0.0	-29.50	357.83	11.58	-17.92
CC(C)CC([NH2+]CC1=C2NC=CC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072705	0	49	0.0	-28.11	359.56	10.93	-17.18
CC(C)CC([NH2+]CC1=CC(F)=CC=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300012072707	0	45	0.0	-27.84	351.81	11.44	-16.40
CC(C)CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072708	0	57	0.0	-27.96	412.68	13.58	-14.38
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)=C2)C=C1	REAL300012072709	0	58	0.0	-28.48	426.72	14.96	-13.52
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012072710	0	51	0.0	-34.31	386.63	11.61	-22.70
CC(C)CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072711	0	45	0.0	-28.48	364.45	11.88	-16.60
CC(C)CC([NH2+]CC1=CC(F)=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072712	0	45	0.0	-29.69	354.07	11.48	-18.21
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072714	0	58	0.0	-30.13	427.17	14.96	-15.17
CC(C)CC([NH2+]CC1=CC=CC(OC(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072715	0	49	0.0	-33.62	373.98	10.63	-22.99
CCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OCC	REAL300012072716	0	59	0.0	-34.71	437.26	12.11	-22.60
CC(C)CC([NH2+]CC1=CC=C(Cl)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072717	0	45	0.0	-31.81	353.16	11.54	-20.27
CC(C)CC([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072718	0	48	0.0	-36.12	386.69	12.48	-23.64
CC(C)CC([NH2+]CC1=CC=C(F)C=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300012072719	0	45	0.0	-22.88	348.69	11.29	-11.59
CC(C)CC([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072720	0	49	0.0	-32.77	380.72	10.85	-21.92
CC(C)CC([NH2+]CC1=CC(Cl)=CC=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072721	0	45	0.0	-29.00	355.91	11.58	-17.42
CC(C)CC([NH2+]CC1=CC(F)=CC(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072722	0	45	0.0	-29.58	343.81	11.01	-18.57
CC(C)CC([NH2+]CC1=CC=CC(Cl)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072723	0	45	0.0	-24.46	352.38	11.39	-13.07
CC(C)CC([NH2+]CC1=CC=CC(F)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072724	0	45	0.0	-24.96	342.49	10.96	-14.00
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300012072726	0	48	0.0	-34.64	361.84	7.76	-26.88
CC(C)CC([NH2+]CC1=CC=C2OCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072727	0	50	0.0	-33.17	370.69	10.91	-22.26
CC(C)CC([NH2+]CC1=CSC(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072728	0	42	0.0	-31.70	346.46	10.74	-20.96
CC(C)CC([NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072729	0	55	0.0	-31.93	408.95	14.46	-17.47
CC(C)CC([NH2+]CC1=CC=C(N2CCCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072730	0	56	0.0	-30.63	404.91	10.78	-19.85
CC(C)CC([NH2+]CC1=C2C=CNC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072731	0	49	0.0	-28.08	358.99	10.78	-17.30
CC(C)CC([NH2+]CC1=CC=C(Br)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072732	0	45	0.0	-34.94	361.80	11.74	-23.20
CC1=NC(C)=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300012072733	1	47	0.0	-29.72	357.21	9.42	-20.30
CC(C)CC([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072734	0	54	0.0	-32.68	406.53	12.95	-19.73
CC(C)CC([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072735	0	54	0.0	-34.03	403.96	12.69	-21.34
CC(C)CC([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072736	0	54	0.0	-34.89	404.22	12.72	-22.17
CC(C)CC([NH2+]CC1=CC=C(N2CCN(C)CC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072737	1	62	0.0	-31.08	443.93	9.76	-21.32
CC(C)CC([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072738	0	54	0.0	-35.72	416.79	9.54	-26.18
CNC(=O)C1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072739	0	52	0.0	-39.40	391.59	9.36	-30.04
CC(C)CC([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072740	0	52	0.0	-36.99	400.04	12.35	-24.64
CC(C)CC([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072741	0	52	0.0	-33.55	406.67	12.62	-20.93
CC(C)CC([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072742	0	52	0.0	-33.40	401.78	11.57	-21.83
CC(C)CC([NH2+]CC1=CC2=CC=CC=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072743	0	51	0.0	-31.79	380.92	13.33	-18.46
COC1=C2OC(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)=CC2=CC=C1	REAL300012072744	1	52	0.0	-34.36	392.13	10.88	-23.48
CC(C)CC([NH2+]CC1=CC=C(C(C)C)C([N+](=O)[O-])=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072745	0	56	0.0	-38.15	416.95	13.20	-24.95
CC(C)CC([NH2+]CC1=CC(Br)=CC=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072746	0	45	0.0	-28.95	360.48	11.68	-17.27
CC(C)CC([NH2+]CC1=CC=C(Br)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072747	0	45	0.0	-31.80	357.73	11.64	-20.16
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC(OC)=C1	REAL300012072748	0	53	0.0	-29.31	389.98	9.48	-19.83
COC1=CC2=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)C=C2C=C1	REAL300012072749	0	55	0.0	-34.17	410.26	12.62	-21.55
CC(C)CC([NH2+]CC1=CC(Br)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072751	0	42	0.0	-27.48	343.23	10.62	-16.86
CC(C)CC([NH2+]CC1=CC2=CC=CC=C2NC1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300012072753	0	51	0.0	-41.28	381.89	9.94	-31.34
CC(C)CC([NH2+]CC1=CC=C(F)C(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072755	0	45	0.0	-34.90	361.80	11.73	-23.17
CC(C)CC([NH2+]CC1=CC=C(N2CCCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072756	0	60	0.0	-30.24	427.70	12.35	-17.89
CCCCCCOC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072757	0	64	0.0	-30.54	472.08	14.42	-16.12
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1SC	REAL300012072758	0	53	0.0	-34.47	403.71	11.42	-23.05
CC(C)CC([NH2+]CC1=CC=CC(OCCCC#N)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072759	0	56	0.0	-37.98	428.44	12.60	-25.38
CCC(C)OC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300012072760	0	62	0.0	-34.39	454.11	12.59	-21.80
C=C(C)COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300012072761	0	60	0.0	-31.10	444.03	12.35	-18.75
C=CCC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC(OC)=C1O	REAL300012072762	0	57	0.0	-30.04	425.97	10.03	-20.01
CC(C)CC([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072763	0	52	0.0	-31.64	390.54	10.83	-20.81
CC(C)CC([NH2+]CC1=CC=C2C(=C1)N=CN2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072766	0	51	0.0	-35.85	379.50	12.23	-23.62
C=CCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300012072767	0	53	0.0	-34.15	415.09	12.43	-21.72
CC(C)CC([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072768	1	51	0.0	-31.48	399.75	12.08	-19.40
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C2OC(C)CC2=C1	REAL300012072769	0	57	0.0	-26.56	417.99	10.77	-15.79
CC(C)CC([NH2+]CC1=CC=C2OC(C)(C)CC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072770	0	56	0.0	-30.16	408.53	12.12	-18.04
CC1=CC=C(F)C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072773	0	48	0.0	-30.49	357.39	11.61	-18.88
CC1=CC=C(F)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072774	0	48	0.0	-30.33	352.15	11.52	-18.81
CC(C)CC([NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072775	0	48	0.0	-33.78	390.26	12.56	-21.22
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(Br)=C1	REAL300012072776	0	48	0.0	-22.51	363.70	11.88	-10.63
CC1=NC=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072777	0	47	0.0	-31.99	339.41	9.59	-22.40
CC(C)COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072778	0	58	0.0	-29.70	423.81	12.60	-17.10
COCCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072779	0	56	0.0	-32.56	415.84	10.38	-22.18
CC(C)CC([NH2+]CC1CCCC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072780	0	57	0.0	-28.81	386.71	12.12	-16.69
CC(C)CC([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072781	0	49	0.0	-31.76	386.39	11.00	-20.76
COC1=CC2=C(C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1)OCO2	REAL300012072782	0	52	0.0	-31.79	387.02	9.14	-22.65
CC(C)COC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072783	0	58	0.0	-30.35	427.76	12.79	-17.56
CC1=CC(Cl)=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072784	0	48	0.0	-30.72	362.01	11.96	-18.76
CC(C)CC([NH2+]CC=CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072785	0	49	0.0	-32.03	368.40	12.23	-19.80
CC(C)CC([NH2+]CC1=CC=C(Cl)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072786	0	44	0.0	-30.08	342.82	9.52	-20.56
CC(C)CC([NH2+]CC1=CN=CC(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072787	0	44	0.0	-33.32	350.97	9.89	-23.43
CC(C)CC([NH2+]CC1=CC=C2C(=C1)N=NN2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072788	0	50	0.0	-32.61	374.97	9.32	-23.29
CC(C)CC([NH2+]CC1CCCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072789	0	54	0.0	-28.33	363.13	11.66	-16.67
CC(C)CC([NH2+]CC1=CC=CC2=C1OC(C)(C)C2)(C(=O)[O-])C1=CC=CC=C1	REAL300012072790	0	56	0.0	-31.32	408.03	12.10	-19.22
CC(C)CC([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072792	0	52	0.0	-36.34	389.46	12.07	-24.27
CC(C)CC([NH2+]CC1=CN(C(C)C)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072793	0	51	0.0	-31.84	374.13	10.08	-21.76
CC1=C(Br)SC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072794	0	45	0.0	-30.27	366.21	11.49	-18.78
CC1=NC2=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)C=C2C=C1	REAL300012072795	0	53	0.0	-36.01	397.50	12.04	-23.97
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1N1C=NC=N1	REAL300012072796	0	54	0.0	-34.67	405.31	14.44	-20.23
CC(C)CC([NH2+]CC1=CC2=CC(F)=CC=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072797	1	48	0.0	-33.17	369.04	11.65	-21.52
CC(C)CC([NH2+]CC1=CC=C(OCC(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072798	0	52	0.0	-35.69	395.22	11.43	-24.26
COCC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072799	0	52	0.0	-30.89	389.79	10.77	-20.12
COC1=CC(C)=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300012072800	0	56	0.0	-30.85	402.85	10.60	-20.25
CC(C)CC([NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072802	0	55	0.0	-31.85	421.77	12.61	-19.24
CC(C)CC([NH2+]CC1CCC(C(C)(C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072804	0	63	0.0	-28.76	414.23	13.00	-15.76
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C(C)O1	REAL300012072805	1	48	0.0	-29.14	349.45	10.35	-18.79
CC(C)CC([NH2+]CC1=CC=C(OCC2CC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072806	0	56	0.0	-30.17	413.89	12.69	-17.48
COC1=CC(Cl)=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300012072807	0	49	0.0	-25.50	385.08	11.00	-14.50
CC(C)CC1=NC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300012072808	1	53	0.0	-30.68	401.52	11.04	-19.64
CC(C)CC([NH2+]CC1=CN=C(C2=CC=CS2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072809	1	48	0.0	-32.01	392.01	11.18	-20.83
CC(C)CC([NH2+]CC1=CN=C(C2=CSC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072810	1	48	0.0	-31.87	391.28	11.05	-20.82
CC1=CC=C(C2=NC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)S2)O1	REAL300012072811	1	51	0.0	-28.61	400.55	10.81	-17.80
CC1=CC(Br)=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072812	0	48	0.0	-30.76	366.59	12.06	-18.70
CC(C)CC([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072813	0	54	0.0	-35.29	405.34	12.60	-22.69
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072816	0	49	0.0	-30.29	360.36	10.18	-20.11
CC(C)CC([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072817	1	52	0.0	-32.68	401.41	13.02	-19.66
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300012072818	1	45	0.0	-29.87	337.41	10.02	-19.85
CC(C)CC([NH2+]CC1=CN=C(C(C)(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072819	1	53	0.0	-28.17	398.37	10.67	-17.50
CC(C)CC([NH2+]CC1=CC=C2OCCOC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072820	0	51	0.0	-33.65	379.31	10.23	-23.42
CC(C)CC([NH2+]CC1=CC=CC(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072821	0	45	0.0	-31.30	352.44	11.50	-19.80
CC(C)CC([NH2+]CC1=CC=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072822	0	45	0.0	-31.32	347.88	11.39	-19.93
CC(C)CC([NH2+]CC1=CN(C2=CC=CC=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072823	0	52	0.0	-30.50	389.93	12.10	-18.40
CC(C)CC([NH2+]CC1=CN(C(C)(C)C)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072824	0	54	0.0	-32.65	393.61	10.70	-21.95
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC(C)=C1	REAL300012072825	0	51	0.0	-27.28	373.80	12.20	-15.08
CC(C)CC([NH2+]CC1=CC=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072827	0	42	0.0	-28.55	324.95	10.16	-18.39
CC(=O)NC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072828	0	52	0.0	-37.86	387.25	9.77	-28.09
CC(C)CC([NH2+]CC1=CC=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012072829	0	45	0.0	-27.89	342.30	11.35	-16.54
CC(C)CC([NH2+]CC1=CC=CC([N+](=O)[O-])=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072830	0	47	0.0	-39.07	362.94	11.72	-27.35
CC(C)CC([NH2+]CC1=CC=C([N+](=O)[O-])C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072831	0	47	0.0	-40.38	363.33	11.75	-28.63
CC(C)CC([NH2+]CC1=CC=C(N(C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072832	0	53	0.0	-28.87	381.68	11.27	-17.60
CCN(CC)C1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072833	0	59	0.0	-29.66	430.24	13.39	-16.27
CC(C)CC([NH2+]CC1=CC=C(Br)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072834	0	45	0.0	-32.38	356.41	11.71	-20.67
CC(C)CC([NH2+]CC1=CC=C(Cl)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072835	0	45	0.0	-32.32	351.85	11.60	-20.72
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC(OC)=C1OC	REAL300012072836	0	57	0.0	-37.16	426.62	10.17	-26.99
CC(C)CC([NH2+]CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072837	0	45	0.0	-33.09	341.52	11.15	-21.94
COC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1OC	REAL300012072838	0	53	0.0	-25.27	382.72	10.16	-15.11
CC(C)CC([NH2+]CC1=CC=C(Cl)C=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012072839	0	45	0.0	-30.56	359.81	11.86	-18.70
CC(C)CC([NH2+]CC1=CC=C(N2CCOCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072840	0	58	0.0	-32.13	418.72	9.89	-22.24
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300012072841	0	53	0.0	-34.88	393.55	10.27	-24.61
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(OC)=C1	REAL300012072842	0	53	0.0	-25.83	387.93	9.57	-16.26
CC(C)CC([NH2+]CC1=CC=C(C(F)(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072843	0	48	0.0	-34.32	373.85	12.08	-22.24
CC(C)CC([NH2+]CC1=CC=C(F)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072844	0	45	0.0	-32.50	342.85	11.08	-21.42
CC(C)CC([NH2+]CC1=CC=CC(Cl)=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012072845	0	45	0.0	-31.49	358.16	11.82	-19.67
CC(C)CC([NH2+]CC1=CC=C(Cl)C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072846	0	45	0.0	-31.54	363.02	11.86	-19.68
CC(C)CC([NH2+]CC1CC=CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072847	0	49	0.0	-29.89	348.06	11.28	-18.61
CC(C)CC([NH2+]CC1=CC=C(OC(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072848	0	49	0.0	-33.91	373.97	10.64	-23.27
CCCCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072849	0	58	0.0	-29.93	425.21	12.69	-17.24
CC(C)CCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072850	0	61	0.0	-31.63	447.04	13.41	-18.22
CCCCCCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072851	0	64	0.0	-29.84	468.21	14.25	-15.59
CC(C)CC([NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072852	0	56	0.0	-33.69	420.72	13.75	-19.94
COC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072853	0	49	0.0	-30.93	364.30	10.37	-20.56
CC(=CC1=CC=CC=C1)C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072854	0	52	0.0	-29.07	378.27	12.67	-16.40
CCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300012072855	0	56	0.0	-30.65	411.71	11.00	-19.65
CC(C)CC([NH2+]CC1=CC=C(C(C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072856	0	54	0.0	-28.08	391.08	12.81	-15.27
CC(C)CC([NH2+]CC1=CC=CC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072857	0	48	0.0	-33.24	373.46	12.04	-21.20
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(OC)=C1OC	REAL300012072858	0	57	0.0	-34.85	418.07	10.06	-24.79
CCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072859	0	52	0.0	-31.99	386.47	11.31	-20.68
CC(C)CC([NH2+]CC1=CC=CC=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072860	0	45	0.0	-31.37	336.02	10.93	-20.44
CC(C)CC([NH2+]CC1=CC=CC(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072861	0	45	0.0	-32.31	337.56	10.95	-21.36
COC1=CC=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072862	0	49	0.0	-28.83	359.52	10.52	-18.31
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)SC=C1	REAL300012072863	0	45	0.0	-27.65	335.83	10.42	-17.23
CC(C)CC([NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072864	0	55	0.0	-29.97	405.74	14.31	-15.66
CC1=CC=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072865	0	48	0.0	-26.86	343.76	11.43	-15.43
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072866	0	48	0.0	-29.79	356.52	11.76	-18.03
CC(C)CC([NH2+]CC1=CC=C(C#N)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072867	0	46	0.0	-37.90	355.97	11.48	-26.42
CSC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072868	0	49	0.0	-32.04	375.33	12.11	-19.93
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072869	0	57	0.0	-28.50	417.02	9.49	-19.01
CC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072870	0	48	0.0	-29.56	356.13	11.72	-17.84
CC(C)CC([NH2+]CC1=CSC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072871	0	42	0.0	-27.80	321.09	9.82	-17.98
CCC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072872	0	51	0.0	-29.66	378.01	12.52	-17.14
CC(C)CC([NH2+]CC1=CC=C(F)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072873	0	45	0.0	-33.61	343.81	11.00	-22.61
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300012072874	0	45	0.0	-28.32	346.83	10.96	-17.36
CC(C)CC([NH2+]CC1=CC=CC=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300012072875	0	45	0.0	-27.81	345.80	11.39	-16.42
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1O	REAL300012072876	0	50	0.0	-34.29	375.06	8.21	-26.08
CCC1=NN(C)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072877	0	51	0.0	-33.18	375.36	10.07	-23.11
CC(C)CC([NH2+]CC1=CN(CC(F)(F)F)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072878	0	48	0.0	-38.99	377.02	10.24	-28.75
CC(C)CC([NH2+]CC1=CC=C(N(C)CCC#N)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072880	0	57	0.0	-33.89	425.03	12.74	-21.15
CCOC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1OC	REAL300012072881	0	56	0.0	-24.66	410.06	11.02	-13.64
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC2=C1OCO2	REAL300012072883	0	52	0.0	-37.65	390.39	9.01	-28.64
COC1=CC2=C(C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1)OC(C)C2	REAL300012072885	0	57	0.0	-29.00	418.60	11.06	-17.94
CC(C)CC([NH2+]CC1=CN(C)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072886	0	45	0.0	-33.92	333.66	8.68	-25.24
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300012072888	0	52	0.0	-28.84	380.68	10.92	-17.92
COC1=CC=C(F)C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072890	0	49	0.0	-26.22	363.78	10.17	-16.05
CSC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300012072891	0	46	0.0	-29.15	365.05	11.22	-17.93
CC(C)CC([NH2+]CC1=CC=CC2=C1OCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300012072892	0	48	0.0	-25.74	356.68	9.55	-16.19
CC(C)CC([NH2+]CC1=C(Cl)C=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072893	1	42	0.0	-23.88	335.76	10.40	-13.48
CC(C)CC([NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072894	0	51	0.0	-41.15	395.81	8.61	-32.54
COC1=CC=C(F)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072895	0	49	0.0	-29.90	365.89	10.59	-19.31
CC(C)CC([NH2+]CC1=CC=C(C(N)=O)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072896	0	49	0.0	-39.27	369.66	7.87	-31.40
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1F	REAL300012072897	0	49	0.0	-31.49	366.84	10.24	-21.25
COC1=CC=C(Cl)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072898	0	49	0.0	-29.32	376.23	11.03	-18.29
CC(C)CC([NH2+]CC1=CN=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072899	1	41	0.0	-29.01	315.90	8.15	-20.86
CC(C)CC([NH2+]CC1=CN=CN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072900	0	45	0.0	-33.39	332.27	10.08	-23.31
COC(=O)C1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CN1C	REAL300012072901	0	52	0.0	-37.05	394.21	11.26	-25.79
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300012072902	0	48	0.0	-31.58	370.26	12.17	-19.41
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1C	REAL300012072903	0	52	0.0	-28.36	380.68	10.92	-17.44
CC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1F	REAL300012072905	0	48	0.0	-24.15	356.51	11.54	-12.61
CC(C)CC([NH2+]CC1=CC=C(C#N)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072906	0	46	0.0	-37.12	357.19	11.40	-25.72
CC1=NNC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072907	0	45	0.0	-34.14	329.94	8.00	-26.14
CC(C)CC([NH2+]CC1=CC=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072908	0	45	0.0	-28.09	331.08	8.43	-19.66
CC(C)CC([NH2+]CC1=CC=C(Br)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072909	0	44	0.0	-31.74	351.09	9.85	-21.89
CC(C)CC([NH2+]CC1=CN=C(N2CCOCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072910	1	54	0.0	-32.35	408.31	8.38	-23.97
C#CCCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072911	0	54	0.0	-30.46	409.49	12.43	-18.03
CC1=NN(C)C2=NC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)C=C12	REAL300012072913	0	53	0.0	-35.35	397.23	10.60	-24.75
CC(C)CC([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072916	0	48	0.0	-32.82	378.46	12.09	-20.73
CC1=NN(C)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072917	0	48	0.0	-34.11	354.64	9.27	-24.84
CCOCC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300012072918	0	59	0.0	-26.93	434.70	11.09	-15.84
CCN1C=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300012072919	0	48	0.0	-32.73	355.45	9.55	-23.18
CC(C)CC([NH2+]CC1=CC=CC(C(N)=O)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072921	0	49	0.0	-40.95	365.70	7.66	-33.29
CC(C)CC([NH2+]CC1=NC=CN1CC(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072923	0	48	0.0	-27.96	368.32	10.37	-17.59
COC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1F	REAL300012072925	0	49	0.0	-32.95	365.75	10.32	-22.63
CC(C)CC([NH2+]CC1=CC=C2CCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072926	0	52	0.0	-27.29	376.64	12.79	-14.50
CCN1N=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072928	1	48	0.0	-26.58	348.44	9.38	-17.20
CC(C)CC([NH2+]CC1=CC(F)=CC(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072930	0	45	0.0	-29.72	358.63	11.58	-18.14
CC(C)CC([NH2+]CC1=CC2=CC=NC=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072931	0	50	0.0	-35.33	375.81	11.55	-23.78
CC(C)CC([NH2+]CC1=CC=CC(F)=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300012072932	0	45	0.0	-23.11	348.02	11.26	-11.85
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)SC=N1	REAL300012072933	1	44	0.0	-28.53	330.98	8.52	-20.01
COC1=CC(F)=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072934	0	49	0.0	-32.27	370.71	10.44	-21.83
CC(C)CC([NH2+]CC1=CC=CC(Br)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012072935	0	45	0.0	-24.42	356.79	11.49	-12.93
CC(C)CC([NH2+]CC1=CN=C(C(C)(C)C)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072936	0	55	0.0	-29.92	402.73	10.84	-19.08
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=CS1	REAL300012072937	0	45	0.0	-28.02	334.57	10.41	-17.61
CC(C)CC([NH2+]CC1=CC=C(S(C)=O)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072938	0	50	0.0	-43.66	383.07	9.48	-34.18
CC(C)CC([NH2+]CC1=CC=C2CCCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072939	0	55	0.0	-29.65	397.49	13.56	-16.09
CC(C)CC([NH2+]CC1=CC=CC(C#N)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072940	0	45	0.0	-28.90	347.05	9.35	-19.55
COC(=O)C1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CN1	REAL300012072941	0	49	0.0	-30.63	372.61	9.31	-21.32
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1OC	REAL300012072943	0	56	0.0	-28.84	403.10	10.68	-18.16
CC(C)CC([NH2+]CC1=CSC(Cl)=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012072944	0	42	0.0	-31.40	352.33	10.97	-20.43
CC1=NC(F)=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072945	0	47	0.0	-29.32	344.00	9.45	-19.87
COC1=CC(C)=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072946	0	52	0.0	-25.18	379.89	10.95	-14.23
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300012072947	0	45	0.0	-29.68	346.67	10.82	-18.86
CC(C)CC([NH2+]CC1=CN=C(C(F)(F)F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072949	0	44	0.0	-31.18	357.60	9.30	-21.88
CC(C)CC([NH2+]CC1=CC=CC(S(C)(=O)=O)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072951	0	51	0.0	-40.53	395.42	8.56	-31.97
CC(C)CC([NH2+]CC1=CC(Cl)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072952	0	42	0.0	-27.65	338.64	10.51	-17.14
CC(C)CC([NH2+]CC1=CC=C(C2CCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072953	0	58	0.0	-27.92	415.02	14.09	-13.83
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)N(C)N=C1	REAL300012072954	0	48	0.0	-28.56	348.03	8.92	-19.64
CC1=CC(Cl)=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072955	0	48	0.0	-31.23	372.93	12.24	-18.99
COCC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072956	0	52	0.0	-31.43	390.18	10.81	-20.62
CC(C)CC([NH2+]CC1=CC=C(C2CC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072957	0	52	0.0	-28.27	380.08	12.99	-15.28
C=CN1C=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300012072959	0	46	0.0	-35.69	349.40	10.08	-25.61
CC(C)CC([NH2+]CC1=CC=C(C(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072960	0	48	0.0	-33.08	365.02	11.81	-21.27
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=NN1C	REAL300012072961	0	48	0.0	-33.04	351.94	9.14	-23.90
CC(C)CC([NH2+]CC1=CN=C(C2CC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072962	0	50	0.0	-30.45	372.98	10.54	-19.91
COCCN1C=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300012072963	0	52	0.0	-33.03	389.13	8.60	-24.43
CC(C)CC([NH2+]CC1=CC=C(C2CCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072964	0	55	0.0	-29.72	400.88	13.67	-16.05
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC2=CC=CC=C21	REAL300012072965	0	55	0.0	-33.19	409.27	12.68	-20.51
CCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300012072966	0	52	0.0	-35.64	392.38	11.37	-24.27
COC1=CC=CC2=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)C=CC=C12	REAL300012072967	0	55	0.0	-26.87	395.92	12.18	-14.69
CC(C)CC([NH2+]CC1=CC(C#N)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072968	1	43	0.0	-35.90	345.98	10.56	-25.34
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1C#N	REAL300012072969	0	50	0.0	-40.89	384.52	10.78	-30.11
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1C#N	REAL300012072971	0	49	0.0	-33.66	371.11	11.77	-21.89
CC(C)CN1C=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300012072973	0	54	0.0	-28.82	392.33	11.12	-17.70
CC1=CC(Br)=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300012072974	1	45	0.0	-25.45	360.52	11.28	-14.17
CC(C)CC([NH2+]CC1=CC=CC(C(=O)OC(C)(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072975	0	60	0.0	-36.92	440.85	13.59	-23.33
CC(C)CC([NH2+]CC1=CC=C2C(=C1)CCC(=O)N2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072977	0	56	0.0	-35.42	407.82	11.80	-23.62
CC(C)CC([NH2+]CC1=CN=C(C2=CC=CC=C2F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072978	1	51	0.0	-32.08	400.38	12.14	-19.94
CC1=NN(C(C)C)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072979	0	54	0.0	-27.78	390.61	10.54	-17.24
CC(C)CC([NH2+]CC1=CN=C(C2CCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072980	1	54	0.0	-28.23	403.44	11.52	-16.71
CC(C)CC([NH2+]CC1=CN=C(C2CC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072981	1	48	0.0	-28.63	369.45	10.52	-18.11
CC(C)CC([NH2+]CC1=CN=C(C(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072982	1	50	0.0	-30.09	383.69	10.37	-19.72
CC(C)CC([NH2+]CC1=CN=C(C2=CC=CO2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072983	1	48	0.0	-33.07	382.52	10.16	-22.91
CC(C)CC([NH2+]CC1=CC=C(C2=CN(C)N=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072984	0	55	0.0	-34.47	410.97	12.18	-22.29
CC(C)CC([NH2+]CC1=CN(CC(F)F)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072985	0	48	0.0	-38.71	370.99	10.07	-28.64
CC(C)CC([NH2+]CC1=CC=C(C(=O)N(C)C)N1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072986	0	53	0.0	-37.74	387.61	9.05	-28.69
CC(C)CC([NH2+]CC1=CC(C(N)=O)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072987	1	46	0.0	-35.85	361.06	6.91	-28.94
CC(C)CC([NH2+]CC1=CN=C(C2CCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072988	1	51	0.0	-30.64	389.67	11.19	-19.45
CC(C)CC([NH2+]CC1=CN=C(C2CCCO2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072989	1	52	0.0	-29.79	394.58	9.11	-20.68
CC(C)CC([NH2+]CC1=CC(Br)=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012072991	0	45	0.0	-34.60	354.16	9.01	-25.59
CC(C)CC([NH2+]CC1=CC=C(C2=CN(C)N=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072992	0	52	0.0	-33.41	408.68	11.73	-21.68
CC(C)CC([NH2+]CC1=CC=C2OCCCCOC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072993	0	57	0.0	-33.57	413.88	11.96	-21.61
CC(C)CC([NH2+]CC1=CC=C(F)C(Cl)=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012072994	0	45	0.0	-32.57	363.31	11.87	-20.70
CC(C)CC([NH2+]CC1=NN(C(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012072995	0	45	0.0	-33.63	350.24	8.92	-24.71
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012072998	0	55	0.0	-36.50	411.52	11.53	-24.97
COCCOCC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012072999	0	59	0.0	-31.28	441.40	10.84	-20.44
CC(C)CC([NH2+]CC1=CC=CC(C2CC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073002	0	52	0.0	-27.98	380.32	12.97	-15.01
CC1=NN(C)C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073003	1	48	0.0	-29.92	352.51	8.99	-20.93
CC(C)CC([NH2+]CC1=CC=C(C#N)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073004	0	46	0.0	-37.89	357.86	11.31	-26.58
CC(C)CC([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073005	0	48	0.0	-37.49	374.41	10.17	-27.32
CC(C)CN1N=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073006	1	54	0.0	-25.78	389.26	10.98	-14.80
COC(=O)C1=C(C)C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CN1	REAL300012073007	0	52	0.0	-37.05	388.65	9.96	-27.09
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073008	0	55	0.0	-31.82	410.81	12.72	-19.10
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073009	0	58	0.0	-29.36	427.83	13.24	-16.12
CC(C)CC([NH2+]CC1=CC=C(C(C)(C)C#N)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073010	0	55	0.0	-35.88	407.47	12.83	-23.05
CC(C)CC([NH2+]CC1=CC2=CN=CC=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073012	1	47	0.0	-27.85	353.72	9.68	-18.17
COC1=CC(OC)=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300012073013	0	53	0.0	-32.74	395.19	9.90	-22.84
COC1=CC(F)=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300012073014	0	53	0.0	-32.09	394.54	10.21	-21.88
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(Cl)=C1	REAL300012073015	0	48	0.0	-22.89	361.02	11.82	-11.07
CCC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073016	0	51	0.0	-28.46	374.04	12.32	-16.14
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073017	0	58	0.0	-30.06	430.62	13.25	-16.81
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(F)=C1	REAL300012073018	0	49	0.0	-24.87	365.66	10.18	-14.69
CC(C)CC([NH2+]CC1=CC=CC2=C1CCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300012073019	0	52	0.0	-28.72	376.80	12.82	-15.90
CCCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300012073020	0	58	0.0	-30.46	418.12	12.47	-17.99
CC(C)CC([NH2+]CC1=CC2=CC=NC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073021	0	47	0.0	-32.50	363.26	10.65	-21.85
CC(C)CC([NH2+]CC1=C2CCCN2N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073022	0	49	0.0	-33.71	361.22	9.66	-24.05
CCC1=C2OC(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)=CC2=CC=C1	REAL300012073023	1	54	0.0	-26.01	401.89	12.85	-13.16
CC(C)CC([NH2+]CC1=CC=NN1CC1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073025	1	52	0.0	-24.34	375.15	10.79	-13.55
CC(C)CC([NH2+]CC1=CC=CC(OC2CC2)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073026	0	53	0.0	-33.48	398.34	11.99	-21.49
CCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300012073027	0	55	0.0	-27.68	395.48	11.65	-16.03
CC(C)CC([NH2+]CC1=CC=CC(C2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073028	0	58	0.0	-27.62	415.33	14.08	-13.54
COCC1=CSC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073029	0	49	0.0	-29.46	380.25	9.89	-19.57
CC(C)CC([NH2+]CC1=CSC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073031	0	45	0.0	-31.75	361.73	11.02	-20.73
CC(C)CC([NH2+]CC1=CC=C(OC2CCOC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073033	0	57	0.0	-31.11	416.51	10.56	-20.55
CC(C)CC([NH2+]CC1=CC(F)=C(N(C)C)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073034	0	53	0.0	-30.47	396.89	10.47	-20.00
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073035	0	59	0.0	-34.07	429.52	12.51	-21.56
CC(C)CC([NH2+]CC1=CC=C(F)C(F)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073036	0	45	0.0	-37.64	348.58	11.06	-26.58
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC(C(F)(F)F)=C1	REAL300012073037	0	52	0.0	-30.09	399.33	11.17	-18.92
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC1CC1	REAL300012073038	0	57	0.0	-35.68	424.94	11.95	-23.73
CCCN1N=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073039	1	51	0.0	-31.40	371.91	10.23	-21.17
CC(C)CC([NH2+]CC1=CC(C(F)(F)F)=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073040	0	48	0.0	-32.79	371.95	9.39	-23.40
COCC(C)OC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012073041	0	59	0.0	-30.41	432.45	11.09	-19.32
CCCC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300012073042	0	51	0.0	-25.14	386.20	12.34	-12.80
CC(C)CC([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073043	0	52	0.0	-32.33	402.48	13.70	-18.63
CC(C)CC([NH2+]CC1=CC=NN1CCC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073044	0	58	0.0	-31.11	427.19	13.02	-18.09
CC(C)CC([NH2+]CC1=CC=CC(C(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073045	0	54	0.0	-28.42	391.37	12.80	-15.62
CC(C)CC([NH2+]CC1=CN(C)N=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012073046	0	45	0.0	-33.85	350.65	9.15	-24.70
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1C(C)(C)C	REAL300012073047	0	61	0.0	-31.08	435.47	13.05	-18.03
CC(C)CC([NH2+]CC1=CC=CC(CC2CCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073048	0	58	0.0	-29.54	425.86	14.58	-14.96
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=NC=C1Br	REAL300012073049	0	47	0.0	-31.16	369.61	10.43	-20.73
CC(C)CC([NH2+]CC1=C(O)C=CC=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300012073050	0	46	0.0	-27.01	353.76	8.74	-18.27
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1Cl	REAL300012073052	0	49	0.0	-30.41	376.64	10.74	-19.67
CC(C)CC([NH2+]CC1=CC=NN1CC1CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073053	0	55	0.0	-31.84	402.16	11.51	-20.33
CC(C)CC([NH2+]CC1=CN(C)N=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300012073055	0	45	0.0	-33.22	355.82	9.25	-23.97
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(F)=C1	REAL300012073056	0	48	0.0	-23.96	357.60	11.57	-12.39
CC(=O)NC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073057	0	52	0.0	-34.07	387.22	9.78	-24.29
CC(C)CC([NH2+]CC1=CN=C2C(=C1)C=NN2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073058	0	50	0.0	-33.18	375.30	10.01	-23.17
CC(C)CC([NH2+]CC1=NC=C(Br)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073059	0	44	0.0	-25.95	352.76	9.67	-16.28
COC1=CC(Cl)=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300012073060	0	53	0.0	-30.84	400.91	10.55	-20.29
CC(C)CC([NH2+]CC1=CC=C(CC(F)(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073061	0	51	0.0	-31.16	391.84	12.66	-18.50
CC(C)CC([NH2+]CC1=C2CCCCC2=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073062	0	55	0.0	-28.04	391.37	10.74	-17.30
CCOC(=O)C1=C(C)C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C(C)N1	REAL300012073063	0	58	0.0	-27.00	427.97	11.15	-15.85
CC1=C(C)C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300012073064	0	48	0.0	-28.21	356.48	11.22	-16.99
CC(C)CC([NH2+]CC1=CN=C(Cl)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073065	0	44	0.0	-37.59	352.40	9.76	-27.83
CCOC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C(F)C=C1OC	REAL300012073067	0	56	0.0	-32.46	416.53	11.06	-21.40
CC(C)CC([NH2+]CC1=CC=CN=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300012073068	0	44	0.0	-30.73	338.89	9.51	-21.22
CCOC1=CC(F)=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073069	0	52	0.0	-28.82	388.88	11.17	-17.65
CC(C)CC([NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073070	0	59	0.0	-40.03	427.01	11.89	-28.14
CC(C)CC([NH2+]CC1=CC=C(OC(F)F)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073071	0	49	0.0	-32.53	375.66	10.59	-21.94
CC(C)CC([NH2+]CC1=CC=CC(OC(C)(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073072	0	58	0.0	-31.75	411.52	12.03	-19.72
CC1=C(Cl)C=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073073	0	48	0.0	-26.04	356.29	11.72	-14.32
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C(F)C=C1C	REAL300012073074	0	52	0.0	-30.80	385.57	10.97	-19.83
COCCC1=NC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300012073077	1	51	0.0	-31.94	396.58	8.83	-23.11
CC(C)CC([NH2+]CC1=CC(F)=CC(F)=C1O)(C(=O)[O-])C1=CC=CC=C1	REAL300012073078	1	46	0.0	-34.26	354.58	8.48	-25.78
CC(C)CC([NH2+]CC1=C2CSCCC2=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073079	0	53	0.0	-33.52	392.93	10.49	-23.03
CC(C)CC([NH2+]CC1=CC=CC2=C1CCOC2)(C(=O)[O-])C1=CC=CC=C1	REAL300012073080	0	53	0.0	-30.72	376.56	10.83	-19.89
CC(C)CC([NH2+]CC1=CC=C2OC(=O)OC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073081	0	47	0.0	-41.86	362.56	11.61	-30.25
CC1=C(Br)C=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300012073082	0	45	0.0	-29.68	367.70	11.58	-18.10
CC(C)CC([NH2+]CC1=CC=CC2=NC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300012073083	0	50	0.0	-29.48	363.37	11.02	-18.46
CCCOC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300012073084	0	58	0.0	-28.31	424.03	12.65	-15.66
CC(C)CC([NH2+]CC1=CC2=NC=CN=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073085	0	49	0.0	-34.21	367.15	9.29	-24.92
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=CC=C1[N+](=O)[O-]	REAL300012073086	0	50	0.0	-38.46	367.56	11.93	-26.53
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(F)=C1OC	REAL300012073087	0	53	0.0	-35.10	398.84	10.32	-24.78
COC(=O)C1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(F)=C1	REAL300012073088	0	51	0.0	-27.42	390.92	11.54	-15.88
CC(C)CC([NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073089	0	55	0.0	-33.05	421.76	11.44	-21.61
CC(C)CC([NH2+]CC1=CC=C(Cl)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073091	0	44	0.0	-31.74	346.53	9.74	-22.00
CC(C)CC([NH2+]CC1=CN(CCF)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073093	0	48	0.0	-33.57	362.04	9.69	-23.88
CCCC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012073095	0	54	0.0	-29.58	399.51	13.30	-16.28
CC1=C2C=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)C=NC2=NN1	REAL300012073096	0	50	0.0	-35.54	374.17	9.41	-26.13
CC(C)CC([NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073098	0	53	0.0	-41.14	408.25	7.77	-33.37
CC(C)CC([NH2+]CC1=C2C=CC=CC2=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073100	0	48	0.0	-34.95	359.89	9.62	-25.33
CCC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300012073101	0	48	0.0	-25.20	364.69	11.57	-13.63
CCC1=NC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300012073102	1	47	0.0	-30.47	362.90	9.76	-20.71
COC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)SC=C1	REAL300012073103	1	46	0.0	-26.12	351.64	9.30	-16.82
CC(C)CC([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073104	0	51	0.0	-30.12	387.02	9.10	-21.02
CC(C)CC([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300012073106	0	50	0.0	-27.15	383.11	12.07	-15.08
CC(C)CC([NH2+]CC1CC2CCC1C2)(C(=O)[O-])C1=CC=CC=C1	REAL300012073107	0	52	0.0	-30.71	356.00	11.53	-19.18
CC(C)CC([NH2+]CC1=CC=C(F)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073108	0	44	0.0	-30.89	332.36	9.04	-21.85
CC(C)CC([NH2+]CC1=CC=C(C(F)(F)F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073109	0	45	0.0	-32.00	362.39	11.20	-20.80
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)NN=C1	REAL300012073110	0	45	0.0	-31.92	330.89	8.04	-23.88
CC(C)CC([NH2+]CC1CCC(C(C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073112	0	60	0.0	-29.72	399.51	12.63	-17.09
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073113	0	59	0.0	-32.85	434.20	12.69	-20.16
CC(C)CC([NH2+]CC1=C(Cl)N(C)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073114	0	45	0.0	-28.40	349.45	9.02	-19.38
CC(C)CC([NH2+]CC1=CC2=CC=CN=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073115	1	47	0.0	-36.31	357.40	8.54	-27.77
COC1=CC=C(N2C=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)C=N2)C=C1	REAL300012073116	0	56	0.0	-37.28	423.12	11.58	-25.70
CC1=CN=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073117	0	47	0.0	-29.14	338.08	9.54	-19.60
CC(C)CC([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073118	1	47	0.0	-27.25	370.52	8.85	-18.40
CC(C)CC([NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073119	0	52	0.0	-31.47	383.91	13.18	-18.29
CC(C)CC([NH2+]CC1=CC=NC=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300012073120	0	44	0.0	-28.73	339.58	9.65	-19.08
CC(C)CC([NH2+]CC1=CC=C(S(C)(=O)=O)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073121	1	48	0.0	-39.78	387.80	7.74	-32.04
CC(C)CC([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073122	0	50	0.0	-31.75	390.37	5.86	-25.89
CC1=C(Br)C=NC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073125	0	47	0.0	-31.37	359.36	10.21	-21.16
CC1=NC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)N1C	REAL300012073126	0	48	0.0	-27.30	350.47	9.82	-17.48
CC1=C2C=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)NC2=CC=C1	REAL300012073127	0	52	0.0	-28.84	383.67	11.47	-17.37
CC1=CC=C2C=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)NC2=C1	REAL300012073128	0	52	0.0	-28.79	384.79	11.49	-17.30
CCOC1=CN=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073130	0	51	0.0	-29.88	377.39	9.28	-20.60
CC(C)CC([NH2+]CC1=CC=NC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012073131	0	44	0.0	-29.58	337.29	9.57	-20.01
CC(C)CC([NH2+]CC1=CC=NN1C1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073132	0	56	0.0	-28.06	404.40	9.42	-18.64
CCC(F)(F)C(C)(C)C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073133	0	53	0.0	-28.66	374.19	11.44	-17.22
CC(C)CC([NH2+]CC1=CC=NC(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073134	0	44	0.0	-36.80	336.10	9.25	-27.55
CC(C)CC([NH2+]CC1=CC=C2C=CNC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073135	0	49	0.0	-32.54	366.17	11.10	-21.44
CC(C)CC([NH2+]CC1=CC=C(C(F)F)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073137	0	47	0.0	-30.71	360.53	9.97	-20.74
COC1=CN=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300012073139	0	51	0.0	-32.01	368.31	8.94	-23.07
CC1=CC(C)=C(C=CC[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300012073140	0	58	0.0	-32.22	424.82	14.20	-18.02
CC(C)CC([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073144	0	50	0.0	-39.72	382.21	11.51	-28.21
CC1=CC(C)=C(C=CC[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300012073145	0	58	0.0	-30.67	418.02	13.91	-16.76
CC1=NSC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073146	1	44	0.0	-32.08	338.09	9.31	-22.77
CC(C)CC([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073147	0	50	0.0	-36.86	385.04	5.84	-31.02
CC(C)CC([NH2+]CC1=NC=CC2=C1CCCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300012073151	1	54	0.0	-23.23	381.81	11.30	-11.93
CC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1Br	REAL300012073153	0	48	0.0	-28.87	364.51	12.01	-16.86
CC(C)CC([NH2+]CC1=CC=C2OCCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073154	0	53	0.0	-32.18	388.50	11.70	-20.48
CC(C)CC([NH2+]CC1=CC=CC(C(=O)N(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073155	0	55	0.0	-41.73	404.79	10.79	-30.94
CCC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(Cl)=NN1	REAL300012073156	0	48	0.0	-30.60	367.49	9.01	-21.59
CC(C)CC([NH2+]CC1=C(C2CC2)NN=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012073157	0	49	0.0	-23.76	375.28	9.75	-14.01
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C2CCCCC2=N1	REAL300012073159	0	57	0.0	-31.50	402.44	12.07	-19.43
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CN=C1F	REAL300012073163	0	47	0.0	-36.76	356.44	9.85	-26.91
CC1=CC(F)=NC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073164	0	47	0.0	-34.28	347.25	9.62	-24.66
CC(C)CC([NH2+]CC1=CC=C(C(F)F)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073165	0	48	0.0	-34.80	374.00	12.02	-22.78
COC(=O)C1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300012073166	0	54	0.0	-34.15	401.80	12.10	-22.05
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300012073167	0	52	0.0	-27.61	371.24	10.56	-17.05
CC1=C(Cl)C=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1Cl	REAL300012073168	0	48	0.0	-22.87	372.40	12.18	-10.69
CC(C)CC([NH2+]CC1=CC=C2OC(C)CC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073169	0	53	0.0	-32.96	391.68	11.65	-21.31
CC(C)CC([NH2+]CC1=CC=CC2=C1OC(=O)N2)(C(=O)[O-])C1=CC=CC=C1	REAL300012073170	0	48	0.0	-29.20	362.66	8.39	-20.81
CC(C)CC([NH2+]CC1=CC=CC2=C1OCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300012073171	0	50	0.0	-29.15	370.48	10.88	-18.27
CSCC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012073172	0	52	0.0	-31.21	401.24	12.97	-18.24
CC(C)CC([NH2+]CC1=CN(CC2CCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073173	0	55	0.0	-34.03	407.05	11.81	-22.22
CC(C)CC([NH2+]CC1=C2COCCC2=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073174	0	53	0.0	-33.74	382.35	8.39	-25.35
CC(C)CC([NH2+]CC1=C2CCCC2=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073175	0	52	0.0	-27.82	375.78	10.28	-17.54
CC(C)CC([NH2+]CC1=CC=NN1C1CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073176	1	52	0.0	-28.51	376.61	10.56	-17.95
CC(C)CC([NH2+]CC1=CN(C2CCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073177	0	52	0.0	-31.80	379.14	10.65	-21.15
COC1=CC=C(C)C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073178	0	52	0.0	-25.58	371.65	10.68	-14.90
CC(C)CC([NH2+]CC1=C2C(=CC=C1)N=CN2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073179	0	51	0.0	-42.61	358.61	11.67	-30.94
CCC1=CC=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073180	0	51	0.0	-28.27	366.47	12.21	-16.06
CC(C)CC([NH2+]CC1=CC=C(C(=O)N(C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073181	0	55	0.0	-37.18	408.00	10.89	-26.29
CC1=CC(F)=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073182	0	48	0.0	-27.27	358.92	11.61	-15.66
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1C	REAL300012073183	0	54	0.0	-28.52	380.44	12.57	-15.95
CCNC(=O)C1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012073184	0	55	0.0	-38.89	413.08	10.21	-28.68
CC(C)CC([NH2+]CC1=CN=C2CCCCCN12)(C(=O)[O-])C1=CC=CC=C1	REAL300012073185	1	55	0.0	-32.61	390.61	11.44	-21.17
COC1=CC=C2SC(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)=CC2=C1	REAL300012073186	0	52	0.0	-31.35	401.56	11.88	-19.47
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012073187	0	61	0.0	-39.35	438.62	12.36	-26.99
CCN1CCC2=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)=CC=C21	REAL300012073188	0	57	0.0	-31.07	414.10	11.69	-19.38
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012073189	0	58	0.0	-37.02	429.40	11.93	-25.09
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=NN1C(C)C	REAL300012073190	0	54	0.0	-32.28	392.75	10.60	-21.68
CSC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300012073191	0	49	0.0	-33.94	390.02	12.53	-21.41
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1C1CC1	REAL300012073192	0	55	0.0	-27.41	398.13	13.49	-13.92
CCOC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=N1	REAL300012073193	0	51	0.0	-31.99	380.05	8.54	-23.45
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1C1CC1	REAL300012073194	0	55	0.0	-27.10	398.14	13.49	-13.61
CC1=NN(C2=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)C(C)=C2)C=C1	REAL300012073195	0	58	0.0	-36.06	425.55	13.22	-22.84
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)O2)N1	REAL300012073196	1	52	0.0	-36.86	403.34	9.86	-27.00
CCN1C=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(C)=N1	REAL300012073200	0	51	0.0	-33.82	374.45	10.17	-23.65
CC(C)CC([NH2+]CC1=CC(C2CC2)=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073201	1	52	0.0	-30.25	382.58	10.50	-19.75
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073202	0	55	0.0	-32.34	397.63	13.63	-18.71
COC1=NC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1F	REAL300012073204	0	48	0.0	-25.94	362.38	7.60	-18.34
CC(C)CC([NH2+]CC1=CN2C=CN=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073205	1	45	0.0	-30.55	348.22	10.84	-19.71
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C(C(C)(C)C)O1	REAL300012073206	1	57	0.0	-25.75	411.86	12.37	-13.38
CC1=CC(Br)=CN=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073209	0	47	0.0	-30.05	364.83	10.25	-19.80
CC(C)CC([NH2+]CC1=CC=C2OC(C)C(C)C2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073210	0	56	0.0	-29.99	404.51	11.98	-18.01
CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC(F)F	REAL300012073211	0	52	0.0	-31.92	394.13	11.39	-20.53
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)NN=C1C(F)(F)F	REAL300012073213	0	48	0.0	-35.51	368.29	8.84	-26.67
CC(C)CC([NH2+]CC1=CC(C(F)(F)F)=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073216	0	45	0.0	-31.24	352.21	8.24	-23.00
CC(C)CC([NH2+]CC1=CC=C2CCOC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073217	0	50	0.0	-31.62	366.96	10.72	-20.90
CSC1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073219	0	49	0.0	-30.80	375.01	12.08	-18.72
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC(C)=N1	REAL300012073220	0	50	0.0	-30.22	368.96	10.33	-19.89
CCCN1C=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(C)=N1	REAL300012073221	0	54	0.0	-31.18	394.13	10.84	-20.34
CC(C)CC([NH2+]CC1=CC2=NC=CC=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073223	1	47	0.0	-34.59	357.38	9.78	-24.81
CC(C)CC([NH2+]CC1=CC=C(CC2CC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073225	0	52	0.0	-25.28	396.30	13.14	-12.14
CC(C)CC([NH2+]CC1=CC=C(OC2CC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073226	0	53	0.0	-29.42	391.57	11.84	-17.58
CC(C)CC([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073227	0	49	0.0	-24.94	382.16	10.68	-14.26
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300012073228	0	58	0.0	-32.25	421.49	13.73	-18.52
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)C=C2)C=N1	REAL300012073229	0	58	0.0	-38.30	435.96	14.82	-23.48
CNC(=O)C1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073230	0	52	0.0	-36.59	391.20	9.32	-27.27
CC(C)CC([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073231	0	59	0.0	-27.66	426.06	14.90	-12.76
CCNC(=O)C1=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073233	0	55	0.0	-40.85	409.12	10.00	-30.85
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)OC2=CC=C(F)C=C12	REAL300012073234	1	51	0.0	-25.74	385.82	12.10	-13.64
CC(C)CC([NH2+]CC1=CC(C2CCC2)=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073235	0	52	0.0	-28.92	378.26	9.81	-19.11
CC(C)CC([NH2+]CC1=CC(C2=CC=CC=C2)=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073236	0	55	0.0	-29.44	410.49	11.98	-17.46
CC(C)CC([NH2+]CC1=CN=CC(C(C)(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073239	0	56	0.0	-27.69	402.51	11.37	-16.32
CC(C)CC([NH2+]CC1=NN(CC(F)(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073240	0	48	0.0	-30.00	373.39	9.96	-20.04
CC(C)CC([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)(C(=O)[O-])C1=CC=CC=C1	REAL300012073241	0	55	0.0	-25.42	391.34	12.41	-13.01
CC(C)CC([NH2+]CC1=CC=CC(C(F)F)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073243	0	48	0.0	-38.98	369.65	11.83	-27.15
CC(C)CC([NH2+]CC1=CC=CC2=C1COCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300012073244	0	53	0.0	-28.95	376.73	10.84	-18.11
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073245	0	52	0.0	-28.82	397.71	11.99	-16.83
COC1=NN(C)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073246	0	49	0.0	-34.44	370.44	6.78	-27.66
CC(C)CC([NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073249	0	47	0.0	-37.07	365.54	11.64	-25.43
CC(C)CC([NH2+]CC1=CN(C2CCCCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073250	0	58	0.0	-32.94	419.46	12.12	-20.82
CC(C)CC([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073251	0	52	0.0	-29.96	404.71	12.36	-17.60
CC(C)CC([NH2+]CC1=CC=C(N(C)CCO)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073253	0	56	0.0	-29.92	410.68	8.44	-21.48
COC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=CC=C1C(C)(C)C	REAL300012073254	0	61	0.0	-28.98	423.66	12.70	-16.28
COC1=CC(C)=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300012073256	0	51	0.0	-27.64	369.53	8.07	-19.57
COC1=CC(C)=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1O	REAL300012073257	0	53	0.0	-31.72	382.41	8.39	-23.33
CC(C)CC([NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300012073258	0	51	0.0	-35.98	389.01	10.16	-25.82
CC(C)CC([NH2+]CC1=CC2=CC=CC=C2N(C)C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300012073259	0	54	0.0	-25.28	397.77	11.68	-13.60
CCCN1C=NC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073261	1	51	0.0	-29.72	367.17	11.67	-18.05
CC(C)CC([NH2+]CC1=CC=CNC1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300012073262	0	45	0.0	-34.40	336.08	7.95	-26.45
CC(C)CC([NH2+]CC=CC1=CC=C2OCOC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073263	0	52	0.0	-37.14	391.87	11.02	-26.12
CC(C)CC([NH2+]CC1=CC=C(CC2CCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073264	0	58	0.0	-27.99	422.65	14.41	-13.58
CC(C)CC([NH2+]CC1=CC(C2CC2)=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073265	0	49	0.0	-33.79	366.32	9.51	-24.28
CC(C)CC([NH2+]CC1=CC=NN1C1CC1(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073266	0	49	0.0	-31.01	373.80	10.41	-20.60
CC(C)CC([NH2+]CC1=CC=CC(C(C)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073268	0	51	0.0	-32.85	387.93	12.57	-20.28
CC(C)CC([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073269	0	51	0.0	-34.80	397.73	11.85	-22.95
CC(C)CC([NH2+]CC1=CN=C(C(C)(C)C#N)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073270	1	51	0.0	-33.83	398.21	10.22	-23.61
CC(C)CC([NH2+]CC1=CC(F)=CC(F)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073271	0	45	0.0	-31.65	348.60	11.14	-20.51
CC(C)CC([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073272	0	52	0.0	-31.88	400.69	13.51	-18.37
CC(C)CC([NH2+]CC1=CC(C(C)(C)C)=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073273	1	54	0.0	-29.71	393.13	9.74	-19.97
CCN1CCCC2=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)=CC=C21	REAL300012073274	0	60	0.0	-30.48	424.02	12.21	-18.27
CC(C)CC([NH2+]CC1=C(Br)N(C)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073275	0	45	0.0	-27.45	352.66	9.07	-18.38
CC(C)CC([NH2+]CC=CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073276	0	49	0.0	-30.97	362.15	12.19	-18.78
CC(C)CC([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073278	0	49	0.0	-33.01	391.13	12.51	-20.50
CC(C)CC([NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073279	0	58	0.0	-33.74	428.00	11.74	-22.00
CC(C)CC([NH2+]CC1=CC=C2CCOCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073280	0	53	0.0	-32.12	388.51	11.15	-20.97
CC(C)CC([NH2+]CC1=CN(CCO)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073281	0	49	0.0	-35.72	370.57	6.37	-29.35
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)SC2=CC(F)=CC=C12	REAL300012073282	0	51	0.0	-30.47	395.28	13.18	-17.29
CC(C)CC([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073283	0	51	0.0	-32.45	386.15	9.06	-23.39
CC(C)CC([NH2+]CC=CC1=CC=NC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073284	0	48	0.0	-32.99	357.03	10.41	-22.58
C=CC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012073285	0	49	0.0	-30.46	366.24	12.17	-18.29
CC(C)CC([NH2+]CC1=CC=CC(OCC2CCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073286	0	59	0.0	-30.39	434.32	13.40	-16.99
CC(C)CC([NH2+]CC1=CC=CC=C1C(C)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073287	0	51	0.0	-24.70	362.95	11.98	-12.72
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OCCO	REAL300012073288	0	57	0.0	-33.21	423.09	7.92	-25.29
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1OCCO	REAL300012073289	0	57	0.0	-34.06	423.08	7.92	-26.14
CC(C)CC([NH2+]CC1=CC2=CN=CC=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073290	0	50	0.0	-35.50	375.80	11.55	-23.95
CC1=CC2=CC=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)=C2O1	REAL300012073291	0	51	0.0	-25.32	380.23	12.05	-13.27
COC1=CSC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1OC	REAL300012073292	1	50	0.0	-29.75	387.48	9.10	-20.65
CC(C)CC([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073294	0	48	0.0	-33.55	377.39	12.06	-21.49
CC(C)CC([NH2+]CC1=CC=C(OC(C)C)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073295	0	55	0.0	-35.57	407.04	11.87	-23.70
CC(C)CC([NH2+]CC1=CC=C(F)C(Cl)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073297	0	45	0.0	-35.81	358.04	11.49	-24.32
CC(C)CC([NH2+]CC1=CC=CC(C(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073298	0	48	0.0	-32.23	368.89	11.98	-20.25
CC(C)CC([NH2+]CC1=C(F)C2=CC=CC=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073299	0	51	0.0	-31.32	383.38	13.28	-18.04
CC(C)CC([NH2+]CC1=CC(S(C)(=O)=O)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073300	1	48	0.0	-38.34	386.95	7.66	-30.68
CC(C)CC([NH2+]CC1=CSC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073301	0	42	0.0	-31.62	341.83	10.63	-20.99
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=NN1C1CCC1	REAL300012073302	0	55	0.0	-32.25	398.77	11.25	-21.00
CC(C)CC([NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073303	0	52	0.0	-30.62	406.67	12.61	-18.01
CC1=NN(C2CCCC2)C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073304	1	58	0.0	-26.69	417.66	11.94	-14.75
CC(C)CC([NH2+]CC1=CC=NN1CC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073305	0	48	0.0	-29.58	361.39	9.66	-19.92
CC(C)CC([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073306	0	52	0.0	-35.52	400.04	12.35	-23.17
CC(C)CC([NH2+]CC1=NN(CC(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073309	0	48	0.0	-28.57	368.50	9.76	-18.81
CC(C)CC([NH2+]CC1=NN(C2CC2(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073310	0	49	0.0	-28.63	377.03	10.32	-18.31
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073311	0	61	0.0	-32.48	434.74	12.57	-19.91
CC(C)CC([NH2+]CC1=CN(C2CCOCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073312	0	56	0.0	-29.88	406.52	9.52	-20.36
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073313	0	59	0.0	-28.80	423.03	10.00	-18.80
CC(C)CC([NH2+]CC1=NC=C(Cl)C=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012073317	0	44	0.0	-26.43	356.93	10.01	-16.42
CC1=NSC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073318	1	44	0.0	-27.70	327.53	8.86	-18.84
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073319	0	58	0.0	-29.96	413.97	11.86	-18.10
CC(C)CC([NH2+]CC1=CC=CC=C1C(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073320	0	48	0.0	-29.60	350.32	11.64	-17.96
CC(C)CC([NH2+]CC1=CC2=CNN=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073321	0	48	0.0	-37.47	357.17	9.62	-27.85
CC(C)CC([NH2+]CC1=CC=C(Cl)C(F)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073322	0	45	0.0	-36.41	358.48	11.50	-24.91
CC1=C(F)C=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073323	0	48	0.0	-26.42	347.55	11.31	-15.11
CC(C)CC([NH2+]CC1=CC=CC(C2=CN(C)N=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073324	0	55	0.0	-35.03	414.85	12.34	-22.69
CC(C)CC([NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073325	0	55	0.0	-44.57	421.72	13.49	-31.08
CC1=CC=C(Br)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073326	0	48	0.0	-29.73	367.04	12.06	-17.67
COC1=C(C#N)C=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073327	0	50	0.0	-35.81	380.28	10.68	-25.13
COC1=NC2=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C3=CC=CC=C3)C=C2S1	REAL300012073328	0	51	0.0	-32.18	395.52	8.69	-23.49
CC(C)CC([NH2+]CC1=CC=NC(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073329	0	44	0.0	-35.48	351.15	9.81	-25.67
CC(C)CC([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012073330	0	45	0.0	-29.20	363.88	11.89	-17.31
CC1=NC(Cl)=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073331	0	47	0.0	-34.33	357.37	10.07	-24.26
CC(C)CC([NH2+]CC1=CC=CC(OCC(C)(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073332	0	61	0.0	-30.12	446.52	13.39	-16.73
COC1=CC(Cl)=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073333	0	49	0.0	-28.53	377.34	10.69	-17.84
COC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CC(F)=C1F	REAL300012073334	0	49	0.0	-38.65	376.82	10.50	-28.15
COC1=CC(C)=NC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073335	0	51	0.0	-29.56	376.26	9.09	-20.47
COC(=O)C1=C(C)NC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300012073337	0	55	0.0	-30.21	413.39	10.52	-19.69
CC(C)CC([NH2+]CC1=CC(F)=CC(C#N)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073339	0	46	0.0	-35.10	358.20	11.35	-23.75
CC(C)CC([NH2+]CC1=CC=C(C2CCCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073340	0	61	0.0	-27.92	432.71	14.69	-13.23
COC1=CC=CC=C1C=CC[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073341	0	53	0.0	-31.61	394.18	11.72	-19.89
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)SC(Br)=C1	REAL300012073342	0	45	0.0	-29.10	357.36	11.16	-17.94
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073343	0	55	0.0	-32.93	398.01	11.28	-21.65
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=NN1CC(F)F	REAL300012073344	0	51	0.0	-32.64	385.27	10.33	-22.31
CC(C)CC([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073345	0	53	0.0	-36.07	403.99	11.41	-24.66
CC(C)CC([NH2+]CC1=CC(C2=CC=CO2)=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073346	1	52	0.0	-28.93	393.72	10.12	-18.81
CC(C)CC([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073347	0	58	0.0	-31.02	437.51	15.52	-15.50
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012073348	0	61	0.0	-37.47	450.56	12.13	-25.34
COC1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(C)=N1	REAL300012073349	0	51	0.0	-33.07	372.67	8.13	-24.94
CCN(C)C1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300012073350	0	59	0.0	-26.99	415.05	12.61	-14.38
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=NS1	REAL300012073352	1	44	0.0	-32.54	334.30	9.38	-23.16
CC(C)CC([NH2+]CC1=CC=C(CF)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073354	0	48	0.0	-31.89	363.10	11.90	-19.99
CC(C)CC([NH2+]CC1=CC=C2SC=CC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073355	0	48	0.0	-29.45	368.03	12.26	-17.19
CC(C)CC([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073356	0	54	0.0	-34.89	404.13	12.72	-22.17
CC1=NSC(C)=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073357	1	47	0.0	-26.51	347.50	9.54	-16.97
C=CCN1C=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300012073358	0	49	0.0	-34.44	371.95	10.30	-24.14
CC(C)CC([NH2+]CC1=CC2=NNC=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073359	0	48	0.0	-35.31	361.05	9.78	-25.53
CCC(C)C1=CC=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012073360	0	57	0.0	-29.49	413.39	13.65	-15.84
CC(C)CC([NH2+]CC1=CC2=C(CCOC2)N=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300012073361	0	52	0.0	-32.50	389.27	9.45	-23.05
CC(C)CC([NH2+]CC1=CC=CC(C(C)(F)F)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073363	0	50	0.0	-33.74	383.91	11.02	-22.72
CC(C)CC([NH2+]CC1=CC=CC2=C1CCCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300012073364	0	55	0.0	-25.73	385.06	13.20	-12.53
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073365	0	52	0.0	-30.64	391.10	12.81	-17.83
CC(C)CC([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300012073366	0	48	0.0	-25.46	374.11	11.89	-13.57
CC(C)CC([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073367	0	51	0.0	-41.54	387.49	10.99	-30.55
CC1=C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)C=CC2=CC=CC=C21	REAL300012073368	0	54	0.0	-27.94	384.55	13.35	-14.59
CC(C)CC([NH2+]CC1=CN(C(C)(C)C)N=C1C(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073369	0	63	0.0	-29.71	452.78	12.45	-17.26
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073370	0	53	0.0	-31.61	394.22	10.52	-21.09
CC(C)CC([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012073372	0	58	0.0	-32.46	424.13	8.21	-24.25
CCCN1N=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300012073373	0	54	0.0	-32.42	396.22	10.80	-21.62
CC1=CC(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=CN=C1N1C=CC=N1	REAL300012073374	0	54	0.0	-32.37	403.24	12.21	-20.16
COC(=O)C1=CN(C)C(C[NH2+]C(CC(C)C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012073375	0	52	0.0	-29.26	391.99	10.99	-18.27
CCCN1N=C(C)C=C1C[NH2+]C(CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012073376	1	54	0.0	-31.95	397.24	10.87	-21.08
CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=C1	REAL300012073378	0	46	0.0	-71.40	375.37	9.98	-61.42
CC1=CC=C(C)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073379	0	46	0.0	-71.39	375.41	9.97	-61.42
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012073380	0	45	0.0	-80.86	380.29	9.04	-71.82
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1CC2C=CC1C2	REAL300012073381	0	45	0.0	-73.85	357.01	9.21	-64.64
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1CCCCC1	REAL300012073382	0	46	0.0	-72.70	360.17	9.00	-63.70
CC(C)(C)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073383	0	52	0.0	-72.24	415.37	11.00	-61.24
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012073384	0	47	0.0	-73.75	395.25	8.53	-65.22
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(Br)O1	REAL300012073385	0	37	0.0	-75.62	341.62	7.55	-68.07
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073386	0	50	0.0	-78.66	417.65	10.48	-68.18
CCOC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC=C1OC	REAL300012073387	0	51	0.0	-79.10	419.77	8.80	-70.30
CC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1C	REAL300012073388	0	46	0.0	-71.89	371.58	9.78	-62.11
CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1C	REAL300012073389	0	46	0.0	-72.24	377.57	9.88	-62.36
CC(C)OC1=CC=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073390	0	50	0.0	-67.89	407.14	9.60	-58.29
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012073391	0	50	0.0	-77.16	423.41	10.35	-66.81
CCC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300012073392	0	49	0.0	-74.52	404.28	10.64	-63.88
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012073393	0	44	0.0	-71.49	383.81	8.55	-62.94
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(Cl)=C1	REAL300012073394	0	44	0.0	-71.64	381.35	8.41	-63.23
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012073395	0	44	0.0	-78.07	385.16	8.47	-69.60
N#CC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073396	0	41	0.0	-82.39	360.03	9.06	-73.33
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012073397	0	47	0.0	-77.09	401.92	8.60	-68.49
CC1=CC=C(C2=NNC=C2C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073398	0	50	0.0	-73.81	416.93	9.20	-64.61
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012073399	0	44	0.0	-72.76	382.87	7.81	-64.95
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CSC2=CC=CC=C12	REAL300012073400	0	43	0.0	-75.10	376.07	10.06	-65.04
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012073401	0	46	0.0	-76.50	385.22	9.17	-67.33
CC1=CC=C(C2=CC=C(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])O2)C=C1	REAL300012073402	0	50	0.0	-74.94	420.81	11.25	-63.69
CC1=CC=C(C2=NNC=C2C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])O1	REAL300012073403	0	47	0.0	-73.17	400.29	7.80	-65.37
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012073404	0	46	0.0	-76.89	390.15	6.77	-70.12
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(Cl)S1	REAL300012073405	0	37	0.0	-75.20	346.44	8.40	-66.80
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012073406	0	45	0.0	-68.23	379.00	9.20	-59.03
COC1=NC2=CC=CC=C2C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073407	0	49	0.0	-75.35	410.04	7.69	-67.66
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012073408	0	47	0.0	-81.18	397.52	9.88	-71.30
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012073409	0	46	0.0	-84.03	392.46	11.20	-72.83
CCC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])O1	REAL300012073410	0	43	0.0	-72.51	363.31	8.42	-64.09
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(F)=CC=C1F	REAL300012073411	0	40	0.0	-72.99	351.14	8.78	-64.21
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012073412	0	40	0.0	-73.39	358.29	9.19	-64.20
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012073413	0	40	0.0	-80.89	361.76	9.24	-71.65
CCOC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073414	0	47	0.0	-73.65	390.53	8.90	-64.75
CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1F	REAL300012073415	0	43	0.0	-76.63	365.89	9.39	-67.24
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012073416	0	40	0.0	-70.72	368.59	9.63	-61.09
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012073417	0	40	0.0	-86.59	358.17	8.86	-77.73
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012073418	0	43	0.0	-74.39	376.55	10.22	-64.17
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012073419	0	40	0.0	-81.02	361.76	9.25	-71.77
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CN=C1Cl	REAL300012073420	0	39	0.0	-73.66	346.09	7.32	-66.34
CC(C)C1=NN(C)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073421	0	49	0.0	-76.25	404.38	8.32	-67.93
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073422	0	49	0.0	-72.95	419.27	8.62	-64.33
COCCOC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073423	0	51	0.0	-75.33	424.15	8.18	-67.15
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1Cl	REAL300012073424	0	44	0.0	-78.32	384.70	8.53	-69.79
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012073425	0	45	0.0	-75.00	399.43	7.60	-67.40
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073426	0	52	0.0	-77.60	420.55	10.25	-67.35
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012073427	0	46	0.0	-71.89	382.10	7.88	-64.01
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012073428	0	49	0.0	-75.84	398.99	8.70	-67.14
CCCN1C2=CC=CC=C2N=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073429	0	52	0.0	-76.33	425.01	10.75	-65.58
CCCOC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073430	0	50	0.0	-73.57	412.02	9.70	-63.87
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012073431	0	47	0.0	-74.53	405.21	11.26	-63.27
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012073432	0	54	0.0	-73.52	433.22	10.87	-62.65
CC(C)OC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073433	0	50	0.0	-75.62	408.51	9.53	-66.09
CC(C)C1=NC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CS1	REAL300012073434	0	45	0.0	-70.68	386.93	7.72	-62.96
CC(C)(C)C1=NC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CS1	REAL300012073435	0	48	0.0	-70.46	405.87	8.23	-62.23
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012073436	0	54	0.0	-68.65	431.82	10.95	-57.70
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])OC=C1	REAL300012073437	0	40	0.0	-72.25	339.56	7.42	-64.83
CC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CN=C1Cl	REAL300012073438	0	42	0.0	-81.25	369.67	7.91	-73.34
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012073439	0	45	0.0	-72.27	384.66	9.24	-63.03
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012073440	0	45	0.0	-70.57	385.34	9.28	-61.29
COC1=CC=C2OC(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])=CC2=C1	REAL300012073441	0	47	0.0	-77.93	396.52	8.49	-69.44
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012073442	0	44	0.0	-77.71	386.93	10.50	-67.21
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C2=CC=CC=C2O1	REAL300012073443	0	46	0.0	-75.85	387.44	9.81	-66.04
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=COC2=CC=CC=C12	REAL300012073444	0	43	0.0	-75.97	367.08	9.06	-66.91
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012073445	0	48	0.0	-78.02	405.79	10.40	-67.62
CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N=C1	REAL300012073446	0	42	0.0	-71.26	355.58	7.51	-63.75
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012073447	0	44	0.0	-80.24	382.13	10.08	-70.16
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012073448	0	47	0.0	-73.95	398.06	9.80	-64.15
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(Cl)SC=C1	REAL300012073449	0	37	0.0	-69.49	343.33	8.23	-61.26
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012073450	0	45	0.0	-70.85	391.67	9.02	-61.83
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012073451	0	44	0.0	-80.04	377.56	8.69	-71.35
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012073452	0	44	0.0	-80.43	377.46	8.69	-71.74
CCOC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012073453	0	46	0.0	-74.18	388.20	6.28	-67.90
CC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC2=CC=CN=C12	REAL300012073454	0	48	0.0	-80.22	400.40	9.87	-70.35
CC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC=C1Cl	REAL300012073455	0	43	0.0	-76.72	374.64	9.78	-66.94
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012073456	0	42	0.0	-79.87	371.04	8.16	-71.71
CCCC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073457	0	49	0.0	-72.53	403.55	10.89	-61.64
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1C#N	REAL300012073458	0	45	0.0	-86.70	388.88	8.39	-78.31
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012073459	0	44	0.0	-77.10	388.99	9.94	-67.16
CC1=CC(Cl)=CC(C)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073460	0	46	0.0	-75.12	389.06	10.25	-64.87
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012073461	0	44	0.0	-81.26	384.65	8.33	-72.93
CCOC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N=C1	REAL300012073462	0	46	0.0	-73.46	385.58	7.05	-66.41
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073463	0	46	0.0	-78.16	393.03	10.33	-67.83
C=CCOC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073464	0	48	0.0	-73.87	403.43	9.49	-64.38
CC1=CC(C)=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1C	REAL300012073465	0	49	0.0	-71.18	392.42	10.50	-60.68
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012073466	0	47	0.0	-74.08	407.02	11.46	-62.62
CC(C)(C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])C1=CC=CC=C1	REAL300012073467	0	49	0.0	-74.57	387.23	10.38	-64.19
CC1CCC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CC1	REAL300012073468	0	49	0.0	-73.18	373.98	9.39	-63.79
CC(CCC1=CC=CC=C1)C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073469	0	52	0.0	-74.41	418.19	11.55	-62.86
CCC1CCCC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C1	REAL300012073470	0	52	0.0	-72.97	399.24	10.26	-62.71
CCC1=CC=CC(Cl)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073471	0	46	0.0	-68.17	389.00	10.31	-57.86
CC1=C(C)C=C2OC(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])=CC2=C1	REAL300012073472	0	49	0.0	-75.87	405.35	10.41	-65.46
CCCC1CCC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CC1	REAL300012073473	0	55	0.0	-72.97	420.74	11.02	-61.95
CC1CCCCC1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073474	0	49	0.0	-73.07	370.58	9.24	-63.83
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012073475	0	47	0.0	-82.69	395.12	11.06	-71.63
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012073476	0	47	0.0	-76.32	407.81	10.69	-65.63
COC1=CC=C(C)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073477	0	47	0.0	-68.31	388.73	8.71	-59.60
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1F	REAL300012073478	0	44	0.0	-80.29	374.90	8.05	-72.24
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012073479	0	49	0.0	-78.20	390.53	9.68	-68.52
CC(C)C1CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CCO1	REAL300012073480	0	53	0.0	-76.24	410.28	8.73	-67.51
CC1(C)CCC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CC1	REAL300012073481	0	52	0.0	-73.45	394.15	9.89	-63.56
CCSC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073482	0	47	0.0	-73.73	400.85	10.53	-63.20
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012073483	1	41	0.0	-75.53	370.34	6.41	-69.12
COC1(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CCCCC1	REAL300012073484	0	50	0.0	-70.70	381.89	8.08	-62.62
CCN1N=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C2=CC=CC=C21	REAL300012073485	0	49	0.0	-74.18	410.92	9.46	-64.72
COCCC1(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CCCCC1	REAL300012073486	0	56	0.0	-75.53	417.81	8.92	-66.61
CCCOC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073487	0	50	0.0	-75.15	412.02	9.70	-65.45
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012073488	0	43	0.0	-75.96	367.05	9.20	-66.76
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012073489	0	47	0.0	-74.93	399.42	10.56	-64.37
CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012073490	0	45	0.0	-85.50	383.15	9.86	-75.64
CC(C)OC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073491	0	50	0.0	-75.06	408.50	9.53	-65.53
CC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC=C1F	REAL300012073492	0	43	0.0	-78.02	365.89	9.38	-68.64
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012073493	0	44	0.0	-74.60	370.53	8.68	-65.92
CC(C)CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073494	0	52	0.0	-72.20	420.36	11.36	-60.84
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012073495	0	46	0.0	-90.20	394.69	9.41	-80.79
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012073496	0	40	0.0	-77.90	372.63	9.69	-68.21
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012073497	0	40	0.0	-78.83	362.31	9.26	-69.57
CC1=CC=CC(C)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073498	0	46	0.0	-71.26	372.31	9.75	-61.51
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(Br)=CO1	REAL300012073499	0	37	0.0	-75.22	341.63	7.46	-67.76
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012073500	0	44	0.0	-77.61	378.42	8.26	-69.35
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012073501	0	40	0.0	-74.10	361.48	9.23	-64.87
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012073502	0	44	0.0	-77.58	385.17	8.47	-69.11
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012073503	0	40	0.0	-72.18	361.46	9.22	-62.96
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012073504	0	40	0.0	-79.85	351.99	8.81	-71.04
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012073505	0	40	0.0	-74.10	360.91	9.21	-64.89
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C2=CC=CC=C12	REAL300012073506	0	50	0.0	-76.11	408.49	10.17	-65.94
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012073507	0	47	0.0	-74.77	397.08	8.60	-66.17
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012073507	1	47	0.0	-70.11	396.55	8.60	-61.51
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC(F)=C1F	REAL300012073508	0	40	0.0	-75.27	351.03	8.77	-66.50
CN1C2=CC=CC=C2N=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073509	0	46	0.0	-77.78	385.59	9.02	-68.76
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=N1	REAL300012073510	0	43	0.0	-79.08	366.21	5.37	-73.71
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C2OCCC2=C1	REAL300012073511	0	45	0.0	-77.28	375.06	8.52	-68.76
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012073512	0	50	0.0	-75.76	413.39	12.08	-63.68
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012073513	0	51	0.0	-76.98	413.09	8.59	-68.39
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012073514	0	44	0.0	-71.45	370.35	8.70	-62.75
CC1=CC(F)=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073515	0	43	0.0	-76.51	360.37	9.37	-67.14
CC1=NC(C)=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073516	0	42	0.0	-74.26	365.02	7.15	-67.11
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CCCCOC1=CC=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073568	0	53	0.0	-68.14	432.18	10.56	-57.58
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CC(C)CC1=NC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073575	0	48	0.0	-73.90	407.01	8.86	-65.04
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CC(=CC1=CC=CC=C1)C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073618	0	47	0.0	-74.03	386.89	10.45	-63.58
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O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC=C1F	REAL300012073624	0	40	0.0	-70.36	343.73	8.72	-61.64
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COC1=CC=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073626	0	44	0.0	-68.44	367.32	8.04	-60.40
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])SC=C1	REAL300012073627	0	40	0.0	-70.69	347.90	8.36	-62.33
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012073628	0	50	0.0	-75.61	413.38	12.09	-63.52
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CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073631	0	43	0.0	-72.38	360.57	9.35	-63.03
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CSC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073633	0	44	0.0	-75.77	379.38	9.70	-66.07
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012073634	0	40	0.0	-65.89	367.28	9.50	-56.39
CC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073635	0	43	0.0	-72.42	360.57	9.34	-63.08
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CCC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073637	0	46	0.0	-72.40	382.05	10.12	-62.28
CC1=CC(C)=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=C1	REAL300012073638	0	49	0.0	-71.24	393.75	10.42	-60.82
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(F)C=CC=C1F	REAL300012073639	0	40	0.0	-68.22	349.80	8.72	-59.50
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012073640	0	40	0.0	-82.52	351.87	8.80	-73.72
CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073641	0	40	0.0	-71.21	351.27	8.58	-62.63
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC=C1Br	REAL300012073642	0	40	0.0	-68.22	354.62	9.26	-58.96
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1O	REAL300012073643	0	45	0.0	-77.98	379.43	5.82	-72.16
CC1=NN(C)C(C)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073644	0	46	0.0	-75.70	381.05	7.45	-68.25
CC1=NN(C)C(Cl)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073645	0	43	0.0	-72.74	377.31	7.32	-65.42
CCC1=NN(C)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073646	0	46	0.0	-75.02	378.85	7.84	-67.18
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012073647	0	43	0.0	-80.30	381.39	7.85	-72.45
CN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C(C)(C)C)=N1	REAL300012073648	0	52	0.0	-74.68	409.84	8.84	-65.84
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CN=C1	REAL300012073649	0	39	0.0	-76.40	333.99	6.89	-69.51
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CO1	REAL300012073650	0	37	0.0	-72.63	319.91	6.82	-65.81
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NC=C1	REAL300012073651	0	39	0.0	-77.97	334.04	6.91	-71.06
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(Cl)O1	REAL300012073652	0	37	0.0	-75.74	336.98	7.44	-68.30
CN(CCC#N)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073653	0	52	0.0	-77.56	433.08	10.54	-67.02
CCOC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1OC	REAL300012073654	0	51	0.0	-70.46	420.17	8.93	-61.53
C#CCOC1=CC=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073655	0	46	0.0	-68.84	394.95	9.52	-59.32
CC1=NOC(C)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073656	0	42	0.0	-78.56	356.30	7.46	-71.10
CC1=NC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CS1	REAL300012073657	0	39	0.0	-70.90	345.73	6.40	-64.50
COC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC2=C1OCO2	REAL300012073658	0	47	0.0	-83.67	394.76	6.62	-77.05
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012073659	1	46	0.0	-77.33	393.60	8.47	-68.86
CN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=N1	REAL300012073660	0	40	0.0	-76.13	341.98	6.48	-69.65
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1C	REAL300012073661	0	47	0.0	-75.32	388.75	8.72	-66.60
CC(C)(C)C1=NNC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073662	0	49	0.0	-74.96	386.73	7.54	-67.42
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NC=CN1	REAL300012073663	0	37	0.0	-75.21	318.59	5.40	-69.81
COC1=CC=CC(OC)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073664	0	48	0.0	-65.18	395.49	7.39	-57.79
CN1C=CN=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073665	0	40	0.0	-74.48	338.83	7.04	-67.44
COC1=CC=C(F)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073666	0	44	0.0	-71.01	373.17	8.01	-63.00
CSC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073667	0	41	0.0	-73.86	372.68	9.00	-64.86
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC2=C1OCO2	REAL300012073668	0	43	0.0	-72.96	365.18	7.33	-65.63
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=CN=C1	REAL300012073669	0	38	0.0	-79.82	328.80	6.69	-73.13
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(Cl)C=CS1	REAL300012073670	0	37	0.0	-69.08	344.67	8.23	-60.85
CS(=O)(=O)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073671	0	46	0.0	-84.44	399.85	6.20	-78.24
COC1=CC=C(F)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073672	0	44	0.0	-71.60	373.71	8.11	-63.49
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NNC=C1	REAL300012073673	0	37	0.0	-71.91	319.07	5.08	-66.83
NC(=O)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073674	0	44	0.0	-84.18	373.71	5.46	-78.72
COC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC=C1F	REAL300012073675	0	44	0.0	-81.96	374.90	8.04	-73.92
COC1=CC=C(Cl)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073676	0	44	0.0	-70.65	384.04	8.55	-62.10
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=CS1	REAL300012073677	0	36	0.0	-74.67	323.92	5.93	-68.74
CN1C=NC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073678	0	40	0.0	-77.18	339.32	7.82	-69.36
COC(=O)C1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CN1C	REAL300012073679	0	47	0.0	-79.24	398.60	8.87	-70.37
CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1Cl	REAL300012073680	0	43	0.0	-75.41	374.63	9.77	-65.64
COC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC=C1C	REAL300012073681	0	47	0.0	-75.30	388.75	8.72	-66.58
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CSC=N1	REAL300012073682	1	36	0.0	-71.12	323.78	5.69	-65.43
CC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1F	REAL300012073683	0	43	0.0	-70.29	365.05	9.35	-60.94
N#CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(F)=C1	REAL300012073684	0	41	0.0	-80.94	365.56	9.09	-71.85
CC1=NNC(C)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073685	0	43	0.0	-75.70	359.71	6.21	-69.49
CC1=NNC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073686	0	40	0.0	-76.30	338.66	5.76	-70.54
CN1N=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073687	0	40	0.0	-78.38	339.79	6.25	-72.13
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(Br)C=N1	REAL300012073688	0	39	0.0	-74.81	355.46	7.46	-67.35
C#CCCOC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073689	0	49	0.0	-76.07	417.81	10.23	-65.84
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012073690	0	43	0.0	-73.60	366.14	9.19	-64.41
CC1=NN(C)C2=NC=C(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])C=C12	REAL300012073691	0	48	0.0	-85.27	405.44	8.41	-76.86
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CSC(C2CC2)=N1	REAL300012073692	0	43	0.0	-71.08	375.62	7.91	-63.17
CCC1=NC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CS1	REAL300012073693	0	42	0.0	-70.68	367.21	7.15	-63.53
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012073694	0	43	0.0	-74.27	382.86	9.70	-64.57
CC1=NN(C)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073695	0	43	0.0	-76.16	362.39	7.02	-69.14
CCN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=N1	REAL300012073696	0	43	0.0	-75.81	363.51	7.35	-68.46
CN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N=N1	REAL300012073697	1	39	0.0	-78.03	335.97	5.19	-72.84
NC(=O)C1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073698	0	44	0.0	-78.93	373.71	5.45	-73.48
CN1C=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012073699	0	40	0.0	-71.67	342.04	6.39	-65.28
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012073700	0	43	0.0	-79.03	376.38	8.17	-70.86
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1CCCCCCC1	REAL300012073701	0	52	0.0	-73.45	381.84	9.87	-63.58
CC1=CSC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012073702	0	39	0.0	-71.84	345.75	6.41	-65.43
COC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1F	REAL300012073703	0	44	0.0	-72.93	374.04	8.02	-64.91
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C2CCCC2=C1	REAL300012073704	0	47	0.0	-72.89	384.68	10.59	-62.30
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=COC=N1	REAL300012073705	1	36	0.0	-73.54	314.58	3.29	-70.25
CC(C)COC1=CC=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073706	0	53	0.0	-68.32	430.78	10.47	-57.85
CCN1N=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073707	0	43	0.0	-76.95	356.88	7.19	-69.76
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O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012073709	0	45	0.0	-80.45	380.17	9.16	-71.29
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])SC=N1	REAL300012073710	0	39	0.0	-74.65	343.08	6.44	-68.21
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CC(C)(C)C1=NC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=N1	REAL300012073712	0	50	0.0	-79.28	410.79	8.63	-70.65
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COC(=O)C1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CN1	REAL300012073717	0	44	0.0	-79.80	380.83	7.11	-72.69
COCC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])O1	REAL300012073718	0	44	0.0	-75.22	375.49	6.70	-68.52
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=C1OC	REAL300012073719	0	51	0.0	-77.32	413.60	8.51	-68.81
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012073720	0	37	0.0	-72.83	360.13	8.68	-64.15
CC1=NC(F)=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073721	0	42	0.0	-81.77	355.52	7.43	-74.34
COC1=CC(C)=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073722	0	47	0.0	-68.39	388.72	8.71	-59.68
CC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CS1	REAL300012073723	0	40	0.0	-72.58	351.03	8.43	-64.15
CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N=N1	REAL300012073724	0	41	0.0	-77.19	350.68	6.39	-70.80
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O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(Cl)=CS1	REAL300012073728	0	37	0.0	-74.26	346.27	8.30	-65.96
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012073729	0	53	0.0	-72.37	423.34	11.89	-60.48
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N(C)N=C1	REAL300012073730	0	43	0.0	-78.13	360.08	6.86	-71.27
CC1=CC(Cl)=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073731	0	43	0.0	-75.56	377.31	9.85	-65.71
COCC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073732	0	47	0.0	-75.23	394.23	8.41	-66.82
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012073733	0	47	0.0	-69.33	396.74	10.34	-58.99
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012073734	0	47	0.0	-73.03	388.39	10.79	-62.24
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NC=C(Cl)S1	REAL300012073735	1	36	0.0	-74.19	341.01	6.44	-67.75
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O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NN1C1CCCC1	REAL300012073737	0	50	0.0	-78.70	405.31	9.18	-69.52
COC1=CC2=CC=CC=C2C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073738	0	50	0.0	-71.73	412.99	10.32	-61.41
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012073739	0	43	0.0	-78.00	373.33	9.61	-68.39
COC1=CC(C)=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=N1	REAL300012073740	0	49	0.0	-77.66	400.00	6.43	-71.23
COC1=CC=CC(Cl)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073741	0	44	0.0	-65.66	381.39	8.45	-57.21
CCC1=CC(OC)=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073742	0	50	0.0	-74.18	402.13	9.26	-64.92
CC1=NC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N1C1=CC=CC=C1	REAL300012073743	0	50	0.0	-72.13	418.20	10.96	-61.17
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=NN1C	REAL300012073744	0	43	0.0	-75.79	358.76	6.94	-68.85
CCCN1N=C(C)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1C	REAL300012073745	0	52	0.0	-75.29	424.37	9.07	-66.22
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012073746	0	45	0.0	-80.01	381.16	8.33	-71.68
COCCN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=N1	REAL300012073747	0	47	0.0	-77.23	397.18	6.40	-70.83
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012073748	0	50	0.0	-72.52	404.93	11.27	-61.25
COC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC2=CC=CC=C21	REAL300012073749	0	50	0.0	-77.80	413.64	10.28	-67.52
CCOC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1F	REAL300012073750	0	47	0.0	-80.28	396.75	8.98	-71.30
COC1=CC=CC2=C(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])C=CC=C12	REAL300012073751	0	50	0.0	-76.30	408.51	10.17	-66.13
N#CC1=CSC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073752	0	38	0.0	-81.76	350.43	8.20	-73.56
COC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC=C1C#N	REAL300012073753	0	45	0.0	-88.18	388.88	8.39	-79.79
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073754	0	50	0.0	-73.65	413.30	10.55	-63.10
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012073755	1	39	0.0	-76.90	364.52	6.99	-69.91
CC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC=C1C#N	REAL300012073756	0	44	0.0	-84.38	379.18	9.57	-74.81
CC1=CN=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073757	0	39	0.0	-71.35	345.87	6.62	-64.73
CC(C)CN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=N1	REAL300012073758	0	49	0.0	-75.47	400.37	8.93	-66.54
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC=C1C1CC1	REAL300012073759	0	47	0.0	-71.64	382.20	10.68	-60.96
CCC1=CN=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073760	0	42	0.0	-71.25	367.35	7.40	-63.85
CN1C(=O)CCC2=CC(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])=CC=C21	REAL300012073761	0	51	0.0	-83.98	415.04	9.57	-74.41
CC1=CC=C(OC(F)F)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073762	0	47	0.0	-73.00	398.48	8.99	-64.01
CC1=NN(C(C)C)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073763	0	49	0.0	-75.26	401.85	8.46	-66.80
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012073764	0	49	0.0	-74.02	411.08	9.32	-64.70
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=C(C2CC2)S1	REAL300012073765	0	43	0.0	-74.48	377.08	8.32	-66.16
CC(C)C1=NC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073766	0	45	0.0	-74.04	388.14	8.00	-66.04
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012073767	0	43	0.0	-77.96	386.97	7.78	-70.18
CN1C=C(C2=CC=C(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])C=C2)C=N1	REAL300012073768	0	50	0.0	-78.62	419.29	9.98	-68.64
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012073769	0	43	0.0	-77.31	376.51	7.64	-69.67
CN(C)C(=O)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N1	REAL300012073770	0	48	0.0	-85.81	397.71	6.80	-79.01
NC(=O)C1=CSC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073771	0	41	0.0	-79.19	365.51	4.55	-74.64
CCC1=NN(C)C(CC)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073772	0	52	0.0	-75.66	424.03	8.90	-66.76
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012073773	0	46	0.0	-74.00	393.73	8.80	-65.20
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012073774	0	47	0.0	-78.06	403.23	6.90	-71.16
CC1=CC=CC=C1N1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N=N1	REAL300012073775	1	49	0.0	-77.53	408.03	9.25	-68.28
CN1N=C(Br)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073776	0	40	0.0	-81.80	361.51	6.74	-75.06
CCOC1=C(Cl)C=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073777	0	47	0.0	-72.01	406.59	9.58	-62.43
CCC1=CC=CC(F)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073778	0	46	0.0	-69.45	380.94	9.92	-59.53
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NN(C(F)F)C=C1	REAL300012073779	0	40	0.0	-74.60	354.64	6.53	-68.07
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012073780	0	47	0.0	-76.84	401.80	9.65	-67.19
CC(C)C1=CN=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073781	0	45	0.0	-71.17	387.73	8.03	-63.14
CC(C)(C)C1=CN=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073782	0	48	0.0	-71.02	405.50	8.47	-62.55
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(C2CC2)N=CS1	REAL300012073783	0	43	0.0	-75.12	374.65	8.11	-67.01
COC(=O)C1=C(C)N(C)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073784	0	50	0.0	-82.32	417.22	9.19	-73.13
COCCCN1N=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073785	0	50	0.0	-77.28	412.05	7.02	-70.26
CC1=CC(F)=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(Cl)=C1	REAL300012073786	0	43	0.0	-66.72	379.94	9.77	-56.95
CSCC1=CN=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073787	0	43	0.0	-73.70	390.59	7.84	-65.86
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012073788	0	40	0.0	-68.51	359.05	8.65	-59.86
CCN1N=C(C)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012073789	1	45	0.0	-74.81	378.33	6.27	-68.54
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012073790	0	47	0.0	-73.01	388.38	10.78	-62.23
CC1=NN(C)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073791	0	43	0.0	-78.71	361.73	6.83	-71.88
N#CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1F	REAL300012073792	0	41	0.0	-88.70	365.92	9.12	-79.58
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012073793	0	43	0.0	-84.30	378.77	7.78	-76.52
CC1=CC(F)=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(F)=C1	REAL300012073794	0	43	0.0	-67.91	371.19	9.40	-58.51
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])O1	REAL300012073795	0	50	0.0	-72.73	423.20	9.11	-63.62
CC(C)CN1N=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073796	0	49	0.0	-78.66	400.84	8.70	-69.96
COC(=O)C1=C(C)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CN1	REAL300012073797	0	47	0.0	-79.43	396.74	7.70	-71.73
CC(C)(C#N)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073798	0	50	0.0	-79.83	415.78	10.63	-69.20
CC(C)C1=CC=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073799	0	49	0.0	-71.47	393.07	10.47	-61.00
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NN2CCCCC2=C1	REAL300012073800	0	47	0.0	-71.00	383.76	8.01	-62.99
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012073801	0	46	0.0	-79.15	389.50	8.32	-70.83
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012073802	0	42	0.0	-79.64	361.78	7.47	-72.17
COC1=CC(OC)=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1F	REAL300012073803	0	48	0.0	-75.02	402.92	7.42	-67.60
COC1=CC(F)=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1OC	REAL300012073804	0	48	0.0	-75.60	402.40	7.93	-67.67
CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(Cl)=C1	REAL300012073805	0	43	0.0	-68.85	373.28	9.79	-59.06
CCC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073806	0	46	0.0	-72.52	382.06	10.11	-62.41
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(F)=C1	REAL300012073807	0	44	0.0	-73.25	374.23	8.00	-65.25
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC2=C1CCC2	REAL300012073808	0	47	0.0	-72.57	383.38	10.50	-62.07
COC1=CC=CC(F)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073809	0	44	0.0	-66.73	372.65	8.06	-58.67
CCCOC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=C1	REAL300012073810	0	53	0.0	-74.04	426.79	10.34	-63.70
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012073811	0	42	0.0	-79.11	371.29	8.43	-70.68
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C2CCCN2N=C1	REAL300012073812	0	44	0.0	-76.65	365.64	7.28	-69.37
CCC1=C2OC(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])=CC2=CC=C1	REAL300012073813	0	49	0.0	-75.77	409.94	10.63	-65.14
C=CCCN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N=N1	REAL300012073814	1	46	0.0	-77.57	391.70	7.34	-70.23
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NN1CC1CC1	REAL300012073815	0	47	0.0	-75.09	388.61	8.74	-66.35
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012073816	0	48	0.0	-74.21	405.17	9.69	-64.52
CCOC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=C1	REAL300012073817	0	50	0.0	-74.20	405.35	9.53	-64.67
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012073818	0	44	0.0	-75.29	383.36	8.40	-66.89
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012073819	0	44	0.0	-75.96	383.47	8.39	-67.57
COC1=NC=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073820	0	43	0.0	-71.64	364.95	5.45	-66.19
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012073821	0	53	0.0	-72.55	423.40	11.88	-60.67
CN1C=C(C2=NN(C)C=C2C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=N1	REAL300012073822	0	50	0.0	-75.46	421.79	7.66	-67.80
COCC1=CSC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073823	0	44	0.0	-73.46	384.69	7.51	-65.95
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012073824	1	46	0.0	-76.90	381.35	7.15	-69.75
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012073825	0	40	0.0	-78.87	369.79	8.82	-70.05
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012073826	0	40	0.0	-78.51	361.08	8.04	-70.47
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012073827	0	40	0.0	-69.79	359.85	8.80	-60.99
CN(C)C1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=CC(F)=C1F	REAL300012073828	0	48	0.0	-78.20	398.95	8.73	-69.47
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012073829	0	40	0.0	-69.97	364.40	9.16	-60.81
CN(C)C1=CC(F)=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1F	REAL300012073830	0	48	0.0	-75.10	404.58	8.26	-66.84
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012073831	0	40	0.0	-80.74	356.31	8.85	-71.89
CCCN1N=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073832	0	46	0.0	-76.78	378.38	7.95	-68.83
CN1N=C(C(F)(F)F)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073833	0	43	0.0	-84.46	381.16	7.23	-77.23
CCCC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073834	0	46	0.0	-71.18	394.26	10.14	-61.04
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012073835	0	47	0.0	-76.13	406.53	11.30	-64.83
CC(C)C1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073836	0	49	0.0	-72.50	399.39	10.60	-61.90
CN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(Cl)=N1	REAL300012073837	0	40	0.0	-74.79	358.59	6.90	-67.89
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012073838	0	53	0.0	-72.64	430.22	12.19	-60.45
COC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC=C1Cl	REAL300012073839	0	44	0.0	-79.99	384.70	8.53	-71.46
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NN1CC1CCC1	REAL300012073840	0	50	0.0	-78.55	409.88	9.23	-69.32
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012073841	0	46	0.0	-75.08	388.45	10.25	-64.83
CN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(Br)=N1	REAL300012073842	0	40	0.0	-74.06	362.64	6.96	-67.10
CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(F)=C1	REAL300012073843	0	43	0.0	-70.27	366.14	9.38	-60.89
CC(=O)NC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073844	0	47	0.0	-82.92	394.99	7.59	-75.33
CN1N=CC2=CC(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])=CN=C21	REAL300012073845	0	45	0.0	-84.48	383.47	7.81	-76.67
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012073846	0	46	0.0	-76.20	400.17	10.47	-65.73
CN1N=C2CCCCC2=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073847	0	50	0.0	-79.07	403.36	8.67	-70.40
CC1=C(C)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CS1	REAL300012073848	0	43	0.0	-72.02	365.75	9.01	-63.01
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012073849	0	39	0.0	-85.08	356.76	7.37	-77.71
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012073850	0	46	0.0	-79.19	385.70	10.85	-68.34
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CN=C1Br	REAL300012073851	0	39	0.0	-73.00	349.69	7.37	-65.63
CC(C)OC1=CC=C(F)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073852	0	50	0.0	-71.10	413.72	9.68	-61.42
CCOC1=CC(F)=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073853	0	47	0.0	-76.94	396.94	8.97	-67.97
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012073854	0	44	0.0	-74.36	383.98	8.28	-66.08
CC(C)(C)OC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073855	0	53	0.0	-73.31	419.72	9.84	-63.47
CC1=C(Cl)C=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073856	0	43	0.0	-74.88	368.62	9.67	-65.21
COC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C(F)C=C1C	REAL300012073857	0	47	0.0	-72.24	393.25	8.77	-63.47
CC(C)(C)C1=CSC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012073858	0	48	0.0	-71.62	404.75	8.41	-63.21
COCCC1=NC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073859	0	46	0.0	-76.38	401.02	6.47	-69.91
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012073860	1	41	0.0	-77.02	361.43	6.03	-70.99
CN1N=C2CCSCC2=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073861	0	48	0.0	-80.87	402.73	8.32	-72.55
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012073862	0	48	0.0	-74.32	386.00	8.65	-65.67
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012073863	0	42	0.0	-89.71	366.93	9.22	-80.49
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012073864	0	45	0.0	-79.95	375.26	8.93	-71.02
CCCOC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1C	REAL300012073865	0	53	0.0	-74.96	432.10	10.45	-64.51
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012073866	0	44	0.0	-81.52	375.21	7.10	-74.42
CCOC1=CC=CC(F)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073867	0	47	0.0	-66.29	394.50	8.99	-57.30
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012073868	0	45	0.0	-85.85	377.72	9.74	-76.11
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073869	0	48	0.0	-84.48	395.88	10.23	-74.25
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(F)=C1OC	REAL300012073870	0	48	0.0	-77.24	407.21	8.02	-69.22
COC(=O)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(F)=C1	REAL300012073871	0	46	0.0	-79.98	399.51	9.37	-70.61
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012073872	0	47	0.0	-69.95	402.19	9.30	-60.65
CC1=COC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073873	0	40	0.0	-72.64	341.82	7.50	-65.14
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(Cl)C=N1	REAL300012073874	0	39	0.0	-74.70	350.89	7.35	-67.35
CC1=CC(C#N)=CC(C)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073875	0	47	0.0	-81.25	393.09	10.12	-71.13
CC1=CN=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])O1	REAL300012073876	1	39	0.0	-73.51	336.58	4.24	-69.27
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(CCF)N=C1	REAL300012073877	0	43	0.0	-77.71	370.11	7.48	-70.23
CC(C)(C)C1=COC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012073878	1	48	0.0	-73.68	396.74	6.05	-67.63
CCCC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073879	0	49	0.0	-72.34	403.55	10.90	-61.44
CC1=C2C=C(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])C=NC2=NN1	REAL300012073880	0	45	0.0	-88.25	382.23	7.20	-81.05
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NC=CS1	REAL300012073881	0	36	0.0	-71.74	323.95	5.82	-65.92
CN1N=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C2=CC=CC=C21	REAL300012073882	0	46	0.0	-74.11	389.12	8.60	-65.51
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012073883	0	43	0.0	-83.66	366.06	7.30	-76.36
CN1C(Cl)=NC(Cl)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073884	0	40	0.0	-79.61	372.62	7.96	-71.65
CCC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073885	0	43	0.0	-71.19	372.76	9.36	-61.83
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012073886	0	45	0.0	-73.04	376.90	8.97	-64.07
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N2C=CC=CC2=N1	REAL300012073887	0	46	0.0	-79.89	386.55	9.67	-70.22
CCC1=NC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073888	0	42	0.0	-74.39	367.35	7.40	-66.99
COC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])SC=C1	REAL300012073889	0	41	0.0	-67.38	359.28	7.09	-60.29
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012073890	0	46	0.0	-80.57	395.35	6.92	-73.65
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CSC=C1Cl	REAL300012073891	0	37	0.0	-69.50	343.86	8.08	-61.42
CC1=NN2C(=NC(C)=C2C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073892	0	45	0.0	-75.75	394.41	7.87	-67.88
CCCC(C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])C1=CC=CC=C1	REAL300012073893	0	52	0.0	-72.09	417.53	11.32	-60.77
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1CC2CCC1C2	REAL300012073894	0	47	0.0	-73.28	363.78	9.31	-63.97
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(F)N=C1	REAL300012073895	0	39	0.0	-82.91	340.43	6.84	-76.07
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012073896	0	40	0.0	-78.40	370.03	8.98	-69.42
CC1(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CCC1	REAL300012073897	0	43	0.0	-70.66	343.03	8.34	-62.32
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1(C(F)F)CC1	REAL300012073898	0	40	0.0	-69.77	340.46	8.06	-61.71
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])NN=C1	REAL300012073899	0	40	0.0	-77.57	338.19	5.72	-71.85
CC1=CNN=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073899	1	40	0.0	-71.14	338.93	5.68	-65.46
CC1=CN=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N1C	REAL300012073900	0	43	0.0	-74.35	359.56	7.54	-66.81
CC(C)C1CCC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CC1	REAL300012073901	0	55	0.0	-73.03	409.06	10.47	-62.56
COCC1=CC=CC=C1C=C(C)C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073902	0	54	0.0	-77.72	437.56	10.27	-67.45
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073903	0	50	0.0	-70.55	412.63	9.52	-61.03
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012073904	0	49	0.0	-82.92	411.95	10.35	-72.57
CCC1=NOC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073905	0	42	0.0	-79.32	356.53	7.44	-71.88
CN1N=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1Cl	REAL300012073906	0	40	0.0	-72.41	357.80	6.81	-65.60
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012073907	0	42	0.0	-80.36	361.82	6.16	-74.20
CC1=CN=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073908	0	42	0.0	-76.83	349.32	7.52	-69.31
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012073909	0	42	0.0	-81.08	378.58	6.65	-74.43
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012073910	0	47	0.0	-74.91	388.34	10.80	-64.11
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NC=C1Br	REAL300012073911	0	39	0.0	-73.01	349.97	7.48	-65.53
CS(=O)(=O)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012073912	0	43	0.0	-83.28	392.26	5.36	-77.92
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012073913	0	46	0.0	-71.05	391.35	9.37	-61.68
CC(C)N1C=CN=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073915	0	46	0.0	-74.12	380.02	8.49	-65.63
CN1N=CC(C(F)(F)F)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073916	0	43	0.0	-77.78	376.79	7.27	-70.51
CN1N=CC(C2CC2)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073917	0	47	0.0	-78.19	389.88	8.32	-69.87
CN1N=CC(C2CCC2)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073918	0	50	0.0	-78.87	406.26	8.83	-70.04
CC1=NC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N1C	REAL300012073919	0	43	0.0	-77.36	358.84	7.60	-69.76
CC1=C2C=C(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])NC2=CC=C1	REAL300012073920	0	47	0.0	-77.56	392.01	9.26	-68.30
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012073921	0	46	0.0	-77.22	390.39	7.82	-69.40
CC1=CC=C2C=C(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])NC2=C1	REAL300012073922	0	47	0.0	-77.26	392.42	9.28	-67.98
CC1=NC=CN=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073923	0	41	0.0	-74.20	346.14	5.48	-68.72
CCOC1=CN=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073924	0	46	0.0	-77.26	385.45	7.08	-70.18
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NC=C1Cl	REAL300012073925	0	39	0.0	-73.65	346.38	7.39	-66.26
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012073926	0	51	0.0	-82.09	414.82	7.31	-74.78
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC2=NNC=C21	REAL300012073927	0	43	0.0	-82.79	365.29	7.38	-75.41
CCC(F)(F)C(C)(C)C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073928	0	48	0.0	-74.63	378.67	9.05	-65.58
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NC(F)=C1	REAL300012073929	0	39	0.0	-83.10	340.47	6.85	-76.25
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012073930	0	44	0.0	-75.60	370.53	8.71	-66.89
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012073931	0	43	0.0	-83.16	371.78	6.16	-77.00
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012073932	0	42	0.0	-81.08	368.58	7.76	-73.32
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073933	0	49	0.0	-76.89	412.28	9.10	-67.79
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012073934	1	50	0.0	-80.77	413.63	6.13	-74.64
COC1=CN=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1C	REAL300012073935	0	46	0.0	-77.11	378.41	6.79	-70.32
CC1=CC(C)=C(C=CC[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=C1	REAL300012073936	0	53	0.0	-75.67	429.19	11.81	-63.86
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012073937	1	50	0.0	-78.45	414.18	6.27	-72.18
CCCN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N=N1	REAL300012073938	1	45	0.0	-77.68	378.88	6.79	-70.89
CN(C)C1=CC=C(F)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073939	0	48	0.0	-71.35	396.78	8.77	-62.58
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(C2CC2)C=N1	REAL300012073940	0	44	0.0	-70.72	370.54	9.33	-61.39
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012073941	0	45	0.0	-85.40	386.59	9.12	-76.28
CC1=CC(C)=C(C=CC[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1C	REAL300012073942	0	53	0.0	-75.47	426.09	11.70	-63.77
CC1=NSC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073943	0	39	0.0	-77.65	345.72	7.10	-70.55
NS(=O)(=O)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073944	0	45	0.0	-85.81	393.35	3.64	-82.17
CCN1N=CN=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073945	1	42	0.0	-78.64	352.56	7.85	-70.79
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=C(C2CC2)O1	REAL300012073946	0	43	0.0	-76.03	367.88	5.98	-70.05
CCC1=CNC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012073947	0	43	0.0	-75.19	361.94	6.74	-68.45
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012073948	0	49	0.0	-71.34	392.12	9.18	-62.16
CC1=NN(C)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1Cl	REAL300012073949	0	43	0.0	-77.07	378.25	7.34	-69.73
CN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C2CCCC2)=N1	REAL300012073950	0	53	0.0	-76.98	427.49	9.59	-67.39
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012073951	0	48	0.0	-75.51	392.87	9.31	-66.20
CN(C)C(=O)C1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073952	0	50	0.0	-78.83	411.99	8.51	-70.32
CCC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(Cl)=NN1	REAL300012073953	0	43	0.0	-72.45	372.43	6.88	-65.57
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012073954	0	44	0.0	-72.74	385.53	7.63	-65.11
CCC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=NO1	REAL300012073955	0	45	0.0	-77.57	373.87	8.27	-69.30
CCN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N=N1	REAL300012073956	1	42	0.0	-77.86	357.39	6.02	-71.84
CC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C2CCCCC2=N1	REAL300012073957	0	52	0.0	-78.63	411.74	9.86	-68.77
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012073958	0	55	0.0	-68.90	432.96	10.74	-58.16
CCOC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])O1	REAL300012073959	0	44	0.0	-75.15	374.78	8.19	-66.96
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012073960	1	39	0.0	-77.24	364.82	6.79	-70.45
CCN1C=NC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073961	0	43	0.0	-70.69	363.05	8.86	-61.83
CC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CN=C1F	REAL300012073962	0	42	0.0	-82.83	360.80	7.46	-75.37
CC1=CC(F)=NC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073963	0	42	0.0	-81.25	355.71	7.46	-73.79
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012073964	0	43	0.0	-80.78	378.37	9.63	-71.15
COC(=O)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1C	REAL300012073965	0	49	0.0	-81.94	410.04	9.88	-72.06
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=C1	REAL300012073966	0	47	0.0	-74.39	383.49	8.60	-65.79
CC1=C(Cl)C=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1Cl	REAL300012073967	0	43	0.0	-72.27	384.66	10.14	-62.13
CC1CC2=CC(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])=CC=C2O1	REAL300012073968	0	48	0.0	-77.23	396.21	9.29	-67.94
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012073969	0	43	0.0	-79.02	370.92	6.17	-72.85
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC2=C1OCC2	REAL300012073970	0	45	0.0	-69.74	374.93	8.48	-61.26
CSCC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073971	0	47	0.0	-74.98	405.29	10.57	-64.41
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012073972	0	50	0.0	-75.63	411.41	9.43	-66.20
CN1N=C2CCOCC2=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073973	0	48	0.0	-80.96	394.48	6.28	-74.68
CN1N=C2CCCC2=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073974	0	47	0.0	-79.03	385.89	8.15	-70.88
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NN1C1CCC1	REAL300012073975	0	47	0.0	-78.51	387.95	8.48	-70.03
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012073976	0	47	0.0	-75.75	387.33	8.46	-67.29
COC1=CC=C(C)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073977	0	47	0.0	-72.95	383.49	8.59	-64.36
CN1C=NC2=CC=CC(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])=C21	REAL300012073978	0	46	0.0	-79.59	377.57	9.92	-69.67
CCC1=CC=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073979	0	46	0.0	-71.29	372.72	9.97	-61.32
CN(C)C(=O)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073980	0	50	0.0	-84.59	409.87	8.52	-76.07
CC1=CC(F)=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012073981	0	43	0.0	-76.60	366.99	9.41	-67.19
CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=C1C	REAL300012073982	0	49	0.0	-71.25	388.72	10.40	-60.85
CCNC(=O)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012073983	0	50	0.0	-83.95	417.12	7.80	-76.15
CC(C)(C)C1=CC=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073984	0	52	0.0	-66.92	393.53	11.03	-55.89
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=C2CCCCCN12	REAL300012073985	0	50	0.0	-77.00	395.23	9.07	-67.93
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CON=C1C1CC1	REAL300012073986	0	43	0.0	-79.67	367.30	8.29	-71.38
CCN1CCC2=CC(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])=CC=C21	REAL300012073987	0	52	0.0	-74.09	411.61	8.81	-65.28
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=NN1C(C)C	REAL300012073988	0	49	0.0	-75.01	402.11	8.45	-66.56
CSC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1Cl	REAL300012073989	0	44	0.0	-78.72	394.39	10.14	-68.58
CC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC=C1C1CC1	REAL300012073990	0	50	0.0	-72.87	406.20	11.30	-61.57
CCOC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC=N1	REAL300012073991	0	46	0.0	-78.54	388.11	6.32	-72.22
CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1C1CC1	REAL300012073992	0	50	0.0	-72.81	406.20	11.30	-61.51
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])O1	REAL300012073993	0	41	0.0	-75.33	352.92	7.25	-68.08
COCCOC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])O1	REAL300012073994	0	48	0.0	-77.37	408.41	7.43	-69.94
CC1=NN(C(C)C)C(C)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073995	0	52	0.0	-74.85	422.62	8.99	-65.86
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NN(CCF)C=C1	REAL300012073996	0	43	0.0	-73.12	370.17	7.40	-65.72
CCN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=N1	REAL300012073997	0	46	0.0	-75.81	383.17	7.94	-67.87
CN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C2CC2)=N1	REAL300012073998	0	47	0.0	-76.65	394.04	8.66	-67.99
CN1N=C(C2CC2)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012073999	0	47	0.0	-79.45	391.50	8.33	-71.12
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074000	0	50	0.0	-81.58	410.53	11.59	-69.99
CC(C)C1=NOC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074001	0	45	0.0	-79.42	377.40	7.97	-71.45
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012074002	0	50	0.0	-78.02	411.44	5.14	-72.88
COC1=NC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1F	REAL300012074003	0	43	0.0	-77.37	371.84	5.43	-71.94
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN2C=CN=C2S1	REAL300012074004	0	40	0.0	-84.34	356.55	8.64	-75.70
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012074005	0	52	0.0	-72.75	423.12	10.24	-62.51
CC1=C(C)SC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012074006	0	42	0.0	-71.40	364.64	7.12	-64.28
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012074007	1	49	0.0	-79.80	417.32	9.02	-70.78
CC1OC2=CC=C(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])C=C2C1C	REAL300012074008	0	51	0.0	-77.04	412.56	9.78	-67.26
CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1OC(F)F	REAL300012074009	0	47	0.0	-73.92	398.50	9.00	-64.92
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CSN=C1	REAL300012074010	0	36	0.0	-78.62	323.67	6.32	-72.30
CC(C)CC1=CC=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074011	0	52	0.0	-71.75	411.64	11.21	-60.54
CN1N=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1S(C)(=O)=O	REAL300012074012	1	46	0.0	-83.89	391.62	4.03	-79.86
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])NN=C1C(F)(F)F	REAL300012074013	0	43	0.0	-83.97	376.90	6.54	-77.43
CC(C)CN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N=N1	REAL300012074014	1	48	0.0	-77.43	398.68	7.54	-69.89
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NC(C2CC2)=CS1	REAL300012074015	0	43	0.0	-72.28	374.80	7.89	-64.39
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012074016	0	40	0.0	-84.22	360.23	6.02	-78.20
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C2CCOC2=C1	REAL300012074017	0	45	0.0	-75.37	375.02	8.53	-66.84
CN1C=C(Cl)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012074018	1	40	0.0	-69.67	358.61	6.89	-62.78
CS(=O)(=O)C1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=CS1	REAL300012074019	1	43	0.0	-80.65	378.92	5.56	-75.09
CSC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012074020	0	44	0.0	-73.86	379.38	9.69	-64.17
CC(C)C1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])N(C)N=C1	REAL300012074021	0	49	0.0	-78.47	401.31	8.17	-70.30
CC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC(C)=N1	REAL300012074022	0	45	0.0	-78.32	377.27	8.13	-70.19
CCCN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=N1	REAL300012074023	0	49	0.0	-75.60	404.67	8.70	-66.90
CCN1C=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012074024	0	43	0.0	-71.36	363.57	7.26	-64.10
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012074025	0	42	0.0	-79.36	361.80	7.40	-71.96
CC1=C(C)OC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012074026	1	42	0.0	-73.53	357.74	4.84	-68.69
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012074027	0	47	0.0	-71.49	404.36	10.93	-60.56
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012074028	0	48	0.0	-76.08	399.71	9.65	-66.43
CNC(=O)C1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012074029	0	47	0.0	-78.98	395.65	6.95	-72.03
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012074030	0	54	0.0	-73.50	434.13	12.70	-60.80
CCNC(=O)C1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012074032	0	50	0.0	-78.60	417.13	7.79	-70.81
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012074033	0	46	0.0	-77.80	393.88	9.90	-67.90
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012074034	0	47	0.0	-78.60	386.28	7.59	-71.01
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074035	0	50	0.0	-81.52	419.24	9.80	-71.72
CCCN1C=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012074036	0	46	0.0	-71.23	385.07	8.03	-63.20
CC(C)N1C=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012074037	0	46	0.0	-70.88	382.26	7.78	-63.10
CC(C)(C)C1=CN=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012074038	0	51	0.0	-76.58	410.57	9.17	-67.41
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012074039	0	43	0.0	-76.25	381.45	7.75	-68.50
CN1C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=NC2=C1CCCC2	REAL300012074040	0	50	0.0	-74.47	401.89	9.35	-65.12
COC1=NC(Cl)=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074041	0	43	0.0	-75.73	381.81	5.87	-69.86
CN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C(F)(F)F)=N1	REAL300012074042	0	43	0.0	-75.27	377.61	7.52	-67.75
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012074043	0	43	0.0	-73.97	374.99	9.55	-64.42
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC2=C1COCC2	REAL300012074044	0	48	0.0	-74.99	385.90	8.67	-66.32
CCOC1=CC=C(Cl)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074045	0	47	0.0	-70.13	405.88	9.48	-60.65
COC1=NN(C)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074046	0	44	0.0	-73.70	374.88	4.42	-69.28
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NC2=C(COCC2)S1	REAL300012074047	0	44	0.0	-73.68	378.59	6.01	-67.67
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012074048	0	47	0.0	-75.04	402.00	8.62	-66.42
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012074049	0	47	0.0	-72.45	383.44	9.51	-62.94
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012074050	0	42	0.0	-88.29	373.79	9.42	-78.87
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012074051	0	53	0.0	-75.27	423.82	9.73	-65.54
CC1=COC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012074052	1	39	0.0	-74.13	336.57	4.03	-70.10
CN(CCO)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=N1	REAL300012074053	0	51	0.0	-76.64	418.74	6.25	-70.39
CN1C=C(Br)N=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074054	0	40	0.0	-78.85	361.38	7.57	-71.28
COC1=CC(C)=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=N1	REAL300012074055	0	46	0.0	-77.79	381.48	5.99	-71.80
COC1=CC(C)=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1O	REAL300012074056	0	48	0.0	-77.27	394.77	6.35	-70.92
CN1C(=O)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC2=CC=CC=C21	REAL300012074057	0	49	0.0	-75.01	405.64	9.45	-65.56
COC1=NC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC=C1C	REAL300012074058	0	46	0.0	-74.00	386.47	6.07	-67.93
CCCN1C=NC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074059	0	46	0.0	-74.66	377.44	9.56	-65.10
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CNC1=O	REAL300012074060	0	40	0.0	-73.71	342.78	5.60	-68.11
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012074061	0	47	0.0	-81.88	396.27	8.63	-73.25
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012074062	0	53	0.0	-72.25	430.29	12.20	-60.05
CCC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=NN1CC	REAL300012074063	0	49	0.0	-73.40	398.53	8.60	-64.80
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012074064	0	40	0.0	-70.75	365.98	9.22	-61.53
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(C2CC2)=NN1	REAL300012074065	0	44	0.0	-78.84	370.78	7.14	-71.70
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012074066	0	44	0.0	-85.56	382.88	8.22	-77.34
COC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=CS1	REAL300012074067	0	41	0.0	-68.58	360.70	7.10	-61.48
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012074068	0	43	0.0	-72.13	378.51	8.47	-63.66
CC(F)(F)C1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012074069	0	46	0.0	-75.67	392.38	10.20	-65.47
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012074070	0	46	0.0	-79.14	402.10	9.46	-69.68
CN1C=C(C2=NNC=C2C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=N1	REAL300012074071	0	47	0.0	-75.77	399.25	6.38	-69.39
CCCN1N=C(C)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1Cl	REAL300012074072	0	49	0.0	-72.22	420.62	8.95	-63.27
CC(C)(C#N)C1=NC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])S1	REAL300012074073	0	46	0.0	-77.74	405.84	8.01	-69.73
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012074074	0	40	0.0	-76.89	356.42	8.85	-68.04
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012074075	0	47	0.0	-75.38	404.74	11.10	-64.28
CC(C)(C)C1=NNC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012074076	0	49	0.0	-78.14	401.17	7.52	-70.62
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012074077	0	46	0.0	-76.88	396.85	11.32	-65.56
C=CCC1=CC=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074078	0	47	0.0	-72.27	386.22	10.54	-61.73
CCN1CCCC2=CC(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])=CC=C21	REAL300012074079	0	55	0.0	-73.12	428.05	9.68	-63.44
COCC1=CN=C(OC)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012074080	0	50	0.0	-71.65	419.06	5.22	-66.43
CN1N=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1Br	REAL300012074081	0	40	0.0	-71.96	361.93	6.90	-65.06
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC=CC1=CC=CC=C1	REAL300012074082	0	44	0.0	-75.15	370.21	9.98	-65.17
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN=NN1C1CC1	REAL300012074083	0	43	0.0	-83.82	365.66	6.69	-77.13
COCC1=CC=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074084	0	47	0.0	-74.41	385.60	8.52	-65.89
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012074085	0	48	0.0	-75.18	392.87	8.76	-66.42
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(CCO)N=C1	REAL300012074086	0	44	0.0	-77.66	374.93	3.98	-73.68
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012074087	0	46	0.0	-84.43	393.79	6.85	-77.58
COC1=CC=C(F)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1OC	REAL300012074088	0	48	0.0	-68.33	403.48	7.96	-60.37
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC=CC1=CC=NC=C1	REAL300012074089	0	43	0.0	-80.03	365.23	8.21	-71.82
CN1C=CC(C2=NNC=C2C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012074090	0	47	0.0	-70.63	399.47	6.74	-63.89
C=CC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012074091	0	44	0.0	-73.52	370.29	9.77	-63.75
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012074092	0	54	0.0	-73.44	438.76	11.03	-62.41
CC(F)(F)C1=CC=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074093	0	46	0.0	-73.68	379.71	10.20	-63.48
CCN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C2CC2)=N1	REAL300012074094	0	50	0.0	-76.31	415.58	9.52	-66.79
CN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012074095	0	50	0.0	-76.38	423.86	7.60	-68.78
CC(C)(C)C1=NOC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074096	0	48	0.0	-83.71	386.85	8.45	-75.26
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012074097	0	45	0.0	-80.73	380.17	9.16	-71.57
CC1=CC2=CC=CC(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])=C2O1	REAL300012074098	0	46	0.0	-71.53	388.40	9.83	-61.70
COC1=CSC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1OC	REAL300012074099	0	45	0.0	-71.77	391.92	6.72	-65.05
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CON=C1C1CCC1	REAL300012074100	0	46	0.0	-79.73	383.61	8.75	-70.98
CS(=O)(=O)C1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])SC=C1	REAL300012074101	1	43	0.0	-76.98	381.13	5.33	-71.65
CS(=O)(=O)C1=COC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012074102	0	43	0.0	-85.73	382.99	4.27	-81.46
CC(C)OC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1F	REAL300012074103	0	50	0.0	-80.50	414.73	9.60	-70.90
CCN1C=C(Cl)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012074104	1	43	0.0	-69.36	380.15	7.75	-61.61
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012074105	0	40	0.0	-79.07	365.77	9.27	-69.80
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012074106	0	43	0.0	-75.34	371.35	9.54	-65.80
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012074107	0	46	0.0	-72.35	389.69	10.94	-61.41
CS(=O)(=O)C1=CSC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012074108	0	43	0.0	-80.42	391.40	5.28	-75.14
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CSC(Cl)=C1	REAL300012074109	0	37	0.0	-75.70	346.19	8.24	-67.46
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=NN1C1CCC1	REAL300012074110	0	50	0.0	-75.23	408.11	9.10	-66.13
CC1=NN(C2CCCC2)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012074111	0	53	0.0	-78.96	427.26	9.76	-69.20
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NN1CC(F)F	REAL300012074112	0	43	0.0	-85.24	374.00	7.42	-77.82
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012074113	1	39	0.0	-70.60	353.69	7.29	-63.31
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012074114	0	47	0.0	-78.72	404.41	9.96	-68.76
CN(C)C1=CN=CC(F)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074115	0	47	0.0	-70.36	393.01	6.77	-63.59
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074116	1	49	0.0	-76.81	414.08	9.00	-67.81
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012074117	0	47	0.0	-70.86	387.39	8.36	-62.50
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012074118	0	43	0.0	-74.86	375.42	7.58	-67.28
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012074119	0	44	0.0	-74.85	385.09	8.12	-66.73
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012074120	0	51	0.0	-76.41	414.59	7.32	-69.09
CC1=CN(C)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012074121	0	43	0.0	-75.21	360.74	7.64	-67.57
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012074122	0	50	0.0	-70.59	404.94	9.03	-61.56
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012074123	0	39	0.0	-69.53	365.02	7.76	-61.77
CC1=NSC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074124	0	39	0.0	-78.54	341.17	6.83	-71.71
CC1=NN(C2CCCC2)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074125	0	53	0.0	-75.21	424.51	9.72	-65.49
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC=C1C(F)F	REAL300012074126	0	43	0.0	-73.59	362.85	9.67	-63.92
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012074127	0	43	0.0	-81.68	365.42	7.39	-74.29
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012074128	0	40	0.0	-79.30	366.20	9.29	-70.01
CC1=C(F)C=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074129	0	43	0.0	-76.13	359.89	9.26	-66.87
CN1C=C(C2=CC=CC(C[NH2+]CCNC3=CC=C([N+](=O)[O-])C=C3C(=O)[O-])=C2)C=N1	REAL300012074130	0	50	0.0	-77.87	419.29	9.96	-67.91
COC1=C(C#N)C=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074131	0	45	0.0	-79.39	388.94	8.49	-70.90
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=NC(Br)=C1	REAL300012074132	0	39	0.0	-81.45	355.51	7.41	-74.04
CC1=NC(Cl)=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074133	0	42	0.0	-80.34	365.97	7.91	-72.43
COC1=CC(Cl)=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012074134	0	44	0.0	-76.26	385.40	8.49	-67.77
COC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CC(F)=C1F	REAL300012074135	0	44	0.0	-86.41	381.19	8.11	-78.30
COC1=CC(C)=NC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074136	0	46	0.0	-71.54	384.38	6.89	-64.65
CC(C)N1C=NC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012074137	0	46	0.0	-70.15	382.67	9.25	-60.90
CN1N=CC=C1C1=NNC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074138	0	47	0.0	-77.77	401.87	6.29	-71.48
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C2CC2)=NO1	REAL300012074139	0	46	0.0	-78.54	388.43	9.08	-69.46
COC(=O)C1=C(C)NC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1C	REAL300012074140	0	50	0.0	-81.52	422.85	8.36	-73.16
CC(C)OC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])O1	REAL300012074141	0	47	0.0	-74.92	395.08	8.90	-66.02
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012074142	0	43	0.0	-69.54	379.24	7.74	-61.80
N#CC1=CC(F)=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012074143	0	41	0.0	-85.57	366.44	9.13	-76.44
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012074144	0	56	0.0	-72.29	441.03	12.49	-59.80
COC1=CC=CC=C1C=CC[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074145	0	48	0.0	-75.37	398.58	9.33	-66.04
CC1=NN(C2CCC2)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074146	0	50	0.0	-75.47	406.99	9.05	-66.42
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=NN1CC(F)F	REAL300012074147	0	46	0.0	-80.57	393.72	8.09	-72.48
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012074148	0	48	0.0	-80.78	408.35	9.02	-71.76
CCCN1N=C(C)C(Cl)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074149	0	49	0.0	-76.52	421.56	8.95	-67.57
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074150	0	47	0.0	-82.62	402.48	7.93	-74.69
COC1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=N1	REAL300012074151	0	46	0.0	-78.50	381.84	5.90	-72.60
CCN(C)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C)=C1	REAL300012074152	0	54	0.0	-70.78	427.24	10.66	-60.12
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012074153	0	37	0.0	-72.51	360.62	8.71	-63.80
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=NS1	REAL300012074154	0	39	0.0	-78.00	341.91	7.10	-70.90
COC1=CC(C)=CC(OC)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074155	0	51	0.0	-64.91	416.88	8.05	-56.86
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=NO1	REAL300012074156	0	39	0.0	-78.64	334.38	6.94	-71.70
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(CF)C=C1	REAL300012074157	0	43	0.0	-75.71	367.15	9.50	-66.21
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012074158	0	43	0.0	-77.52	376.09	10.05	-67.47
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012074159	0	49	0.0	-79.00	408.58	10.34	-68.66
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC=C1CO	REAL300012074160	0	44	0.0	-75.86	363.35	6.12	-69.74
CC1=NSC(C)=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074161	0	42	0.0	-78.23	361.73	7.52	-70.71
CC(C)(C)C1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=NO1	REAL300012074162	0	48	0.0	-75.25	382.39	8.73	-66.52
CC1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1C(F)(F)F	REAL300012074163	0	46	0.0	-77.41	384.06	10.29	-67.12
C=CCN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=N1	REAL300012074164	0	44	0.0	-76.03	376.31	7.91	-68.12
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012074165	0	43	0.0	-77.79	365.42	7.39	-70.40
CCC(C)C1=CC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300012074166	0	52	0.0	-72.28	417.84	11.27	-61.01
CC(F)(F)C1=CC=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300012074167	0	45	0.0	-77.49	388.28	8.63	-68.86
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012074168	0	50	0.0	-72.80	394.57	11.04	-61.76
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074169	0	47	0.0	-78.90	399.72	10.58	-68.32
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1NCC[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012074170	0	46	0.0	-86.91	391.54	8.59	-78.32
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=CC2=CC=CC=C21	REAL300012074171	0	49	0.0	-74.85	396.65	11.36	-63.49
COC1=C2C=CNC2=CC=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074172	0	48	0.0	-70.66	400.11	8.09	-62.57
CC1=NC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C(C)S1	REAL300012074173	0	42	0.0	-70.22	364.64	7.09	-63.13
CCCN1N=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1C	REAL300012074174	0	49	0.0	-75.43	402.07	8.57	-66.86
CC1=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012074175	0	48	0.0	-68.57	394.25	9.79	-58.78
CC1=CC(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012074176	0	49	0.0	-82.98	411.30	10.01	-72.97
COC(=O)C1=CN(C)C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300012074177	0	47	0.0	-82.21	401.09	8.80	-73.41
CCCN1N=C(C)C=C1C[NH2+]CCNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300012074178	0	49	0.0	-78.72	405.14	8.49	-70.23
CN1C=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C(C2CCC2)=N1	REAL300012074179	0	50	0.0	-76.51	410.33	9.08	-67.43
CC(C)(C)C1=NC=C(C[NH2+]CCNC2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])O1	REAL300012074180	0	48	0.0	-75.61	398.36	6.17	-69.44
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C(C)=C1	REAL300012074181	0	43	0.0	-28.13	351.14	11.25	-16.88
CC1=CC=C(C)C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074182	0	43	0.0	-27.80	349.96	11.28	-16.52
O=C([O-])C1([NH2+]CC2=CC3=CC=CN=C3C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074183	0	42	0.0	-35.09	355.40	10.39	-24.70
O=C([O-])C1([NH2+]CC2CC3C=CC2C3)CC2=CC=C(Br)C=C2C1	REAL300012074184	0	42	0.0	-28.38	332.84	10.70	-17.68
O=C([O-])C1([NH2+]CC2CCCCC2)CC2=CC=C(Br)C=C2C1	REAL300012074185	0	43	0.0	-28.50	335.37	10.37	-18.13
CC1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1C	REAL300012074186	0	43	0.0	-27.89	345.55	11.15	-16.74
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1C	REAL300012074187	0	43	0.0	-28.90	352.74	11.21	-17.69
N#CC1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074188	0	38	0.0	-36.13	335.18	10.39	-25.74
O=C([O-])C1([NH2+]CC2=CC=C(Cl)S2)CC2=CC=C(Br)C=C2C1	REAL300012074189	0	34	0.0	-29.91	321.59	9.73	-20.18
O=C([O-])C1([NH2+]CC2=CC=CC3=CC=CN=C32)CC2=CC=C(Br)C=C2C1	REAL300012074190	0	42	0.0	-29.66	354.13	10.55	-19.11
CCC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)O1	REAL300012074191	0	40	0.0	-29.13	338.45	9.75	-19.38
O=C([O-])C1([NH2+]CC2=CC(F)=CC=C2F)CC2=CC=C(Br)C=C2C1	REAL300012074192	0	37	0.0	-29.00	325.24	10.15	-18.85
O=C([O-])C1([NH2+]CC2=CC=C(F)C=C2Cl)CC2=CC=C(Br)C=C2C1	REAL300012074193	0	37	0.0	-29.35	332.51	10.57	-18.78
O=C([O-])C1([NH2+]CC2=CC=C(F)C(Cl)=C2)CC2=CC=C(Br)C=C2C1	REAL300012074194	0	37	0.0	-34.64	336.89	10.59	-24.05
CCOC1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074195	0	44	0.0	-30.02	365.65	10.24	-19.78
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1F	REAL300012074196	0	40	0.0	-31.43	341.04	10.72	-20.71
O=C([O-])C1([NH2+]CC2=CC=C(Cl)C(F)=C2)CC2=CC=C(Br)C=C2C1	REAL300012074197	0	37	0.0	-34.64	336.89	10.60	-24.04
O=C([O-])C1([NH2+]CC2=CC=CN=C2Cl)CC2=CC=C(Br)C=C2C1	REAL300012074198	0	36	0.0	-31.18	321.20	8.65	-22.53
CC(C)C1=NC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CS1	REAL300012074199	0	42	0.0	-28.94	362.12	9.05	-19.89
CC1=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)OC=C1	REAL300012074200	0	37	0.0	-28.51	315.64	8.78	-19.73
CC1=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CN=C1Cl	REAL300012074201	0	39	0.0	-34.74	344.79	9.26	-25.48
O=C([O-])C1([NH2+]CC2=COC3=CC=CC=C23)CC2=CC=C(Br)C=C2C1	REAL300012074202	0	40	0.0	-32.39	342.19	10.41	-21.98
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)N=C1	REAL300012074203	0	39	0.0	-28.65	330.71	8.86	-19.79
O=C([O-])C1([NH2+]CC2=C(Cl)SC=C2)CC2=CC=C(Br)C=C2C1	REAL300012074204	0	34	0.0	-27.23	318.62	9.55	-17.68
CCOC1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=N1	REAL300012074205	0	43	0.0	-30.30	363.34	7.61	-22.69
CC1=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CC=C1Cl	REAL300012074206	0	40	0.0	-31.42	349.75	11.13	-20.29
CCCC1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074207	0	46	0.0	-28.84	378.69	12.22	-16.62
CCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)N=C1	REAL300012074208	0	43	0.0	-29.98	360.70	8.40	-21.58
CC1=CC(C)=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1C	REAL300012074209	0	46	0.0	-27.80	366.87	11.81	-15.99
CC1CCC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)CC1	REAL300012074210	0	46	0.0	-28.60	356.23	10.97	-17.63
CCC1CCCC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C1	REAL300012074211	0	49	0.0	-27.94	367.45	11.35	-16.59
CCCC1CCC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)CC1	REAL300012074212	0	52	0.0	-28.70	388.94	12.14	-16.56
CC1CCCCC1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074213	0	46	0.0	-28.64	353.28	10.93	-17.71
COC1=CC=C(C)C=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074214	0	44	0.0	-27.08	363.80	10.05	-17.03
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1F	REAL300012074215	0	41	0.0	-35.24	350.03	9.38	-25.86
CC(C)C1CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)CCO1	REAL300012074216	0	50	0.0	-30.30	377.46	9.92	-20.38
CC1(C)CCC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)CC1	REAL300012074217	0	49	0.0	-28.97	369.36	11.25	-17.72
O=C([O-])C1([NH2+]CC2=CC3=CC=CC=C3O2)CC2=CC=C(Br)C=C2C1	REAL300012074218	0	40	0.0	-30.91	342.18	10.56	-20.35
CC1=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CC=C1F	REAL300012074219	0	40	0.0	-32.39	341.00	10.73	-21.66
O=C([O-])C1([NH2+]CC2=C3NC=CC3=CC=C2)CC2=CC=C(Br)C=C2C1	REAL300012074220	0	41	0.0	-30.94	345.66	10.02	-20.92
O=C([O-])C1([NH2+]CC2=CC(F)=CC(Cl)=C2)CC2=CC=C(Br)C=C2C1	REAL300012074221	0	37	0.0	-32.32	337.47	10.59	-21.73
O=C([O-])C1([NH2+]CC2=CC=C(Cl)C=C2F)CC2=CC=C(Br)C=C2C1	REAL300012074222	0	37	0.0	-30.00	335.53	10.60	-19.40
O=C([O-])C1([NH2+]CC2=CC(Cl)=CC=C2F)CC2=CC=C(Br)C=C2C1	REAL300012074223	0	37	0.0	-28.46	335.57	10.59	-17.87
O=C([O-])C1([NH2+]CC2=CC(F)=CC(F)=C2)CC2=CC=C(Br)C=C2C1	REAL300012074224	0	37	0.0	-32.92	327.19	10.15	-22.77
O=C([O-])C1([NH2+]CC2=CC=CC(Cl)=C2F)CC2=CC=C(Br)C=C2C1	REAL300012074225	0	37	0.0	-32.40	336.06	10.55	-21.85
O=C([O-])C1([NH2+]CC2=CC=CC(F)=C2F)CC2=CC=C(Br)C=C2C1	REAL300012074226	0	37	0.0	-33.55	326.17	10.11	-23.44
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=N1	REAL300012074227	0	40	0.0	-33.83	341.34	6.73	-27.10
O=C([O-])C1([NH2+]CC2=CC=C3OCCC3=C2)CC2=CC=C(Br)C=C2C1	REAL300012074228	0	42	0.0	-32.40	350.25	9.85	-22.55
O=C([O-])C1([NH2+]CC2=C3C=CNC3=CC=C2)CC2=CC=C(Br)C=C2C1	REAL300012074229	0	41	0.0	-29.58	345.48	10.04	-19.54
CC1=NC(C)=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)S1	REAL300012074230	0	39	0.0	-29.68	340.12	8.50	-21.18
O=C([O-])C1([NH2+]CC2=CC3=CC=CC=C3C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074231	0	43	0.0	-31.11	360.43	12.27	-18.84
CC1=CC=C(F)C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074232	0	40	0.0	-27.83	340.25	10.75	-17.08
CC1=CC=C(F)C=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074233	0	40	0.0	-29.69	334.93	10.69	-19.00
CC1=NC=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074234	0	39	0.0	-31.46	323.70	8.79	-22.67
CC1(C)CCCC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C1	REAL300012074235	0	49	0.0	-28.64	369.36	11.25	-17.39
CC1=CC(Cl)=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074236	0	40	0.0	-30.03	345.15	11.12	-18.91
O=C([O-])C1([NH2+]CC=CC2=CC=C(F)C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074237	0	41	0.0	-32.18	352.88	11.52	-20.66
O=C([O-])C1([NH2+]CC2=CC=C(Cl)N=C2)CC2=CC=C(Br)C=C2C1	REAL300012074238	0	36	0.0	-35.07	326.00	8.68	-26.39
O=C([O-])C1([NH2+]CC2CCCCCC2)CC2=CC=C(Br)C=C2C1	REAL300012074239	0	46	0.0	-28.68	346.59	10.80	-17.88
COC1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=N1	REAL300012074240	0	40	0.0	-30.45	341.47	6.68	-23.77
CC(C)N1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=N1	REAL300012074241	0	43	0.0	-32.84	357.32	9.22	-23.62
COCC1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074242	0	44	0.0	-30.60	369.36	9.73	-20.87
CC1=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C(C)O1	REAL300012074243	0	40	0.0	-29.24	336.15	9.62	-19.62
O=C([O-])C1([NH2+]CC2=NC3=C(CCC3)S2)CC2=CC=C(Br)C=C2C1	REAL300012074244	0	40	0.0	-28.83	344.96	9.18	-19.65
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1	REAL300012074245	0	41	0.0	-31.49	343.80	9.33	-22.16
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)O1	REAL300012074246	0	37	0.0	-28.84	316.96	8.99	-19.85
O=C([O-])C1([NH2+]CC2=CC=CC=C2)CC2=CC=C(Br)C=C2C1	REAL300012074247	0	37	0.0	-29.11	314.29	10.03	-19.08
O=C([O-])C1([NH2+]CC2=CC=CC(Cl)=C2)CC2=CC=C(Br)C=C2C1	REAL300012074248	0	37	0.0	-30.71	331.02	10.53	-20.18
CC(C)(C)N1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=N1	REAL300012074249	0	46	0.0	-32.56	377.07	9.85	-22.71
CC1=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CC(C)=C1	REAL300012074250	0	43	0.0	-28.85	357.18	11.33	-17.52
O=C([O-])C1([NH2+]CC2=CC=C(CO)O2)CC2=CC=C(Br)C=C2C1	REAL300012074251	0	38	0.0	-31.98	328.37	5.63	-26.35
O=C([O-])C1([NH2+]CC2=CC=CS2)CC2=CC=C(Br)C=C2C1	REAL300012074252	0	34	0.0	-28.46	304.58	9.12	-19.34
O=C([O-])C1([NH2+]CC2=CC=CC=C2Cl)CC2=CC=C(Br)C=C2C1	REAL300012074253	0	37	0.0	-28.30	327.00	10.48	-17.82
O=C([O-])C1([NH2+]CC2=CC=CC([N+](=O)[O-])=C2)CC2=CC=C(Br)C=C2C1	REAL300012074254	0	39	0.0	-39.30	342.50	10.70	-28.60
O=C([O-])C1([NH2+]CC2=CC=C([N+](=O)[O-])C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074255	0	39	0.0	-39.66	342.50	10.70	-28.96
CN(C)C1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1	REAL300012074256	0	45	0.0	-29.61	366.80	10.45	-19.16
O=C([O-])C1([NH2+]CC2=CC=C(Cl)C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074257	0	37	0.0	-29.44	332.16	10.68	-18.76
O=C([O-])C1([NH2+]CC2=CC=C(F)C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074258	0	37	0.0	-30.18	321.84	10.23	-19.95
O=C([O-])C1([NH2+]CC2=CC=C(F)C=C2F)CC2=CC=C(Br)C=C2C1	REAL300012074259	0	37	0.0	-30.65	325.20	10.15	-20.50
O=C([O-])C1([NH2+]CC2CC=CCC2)CC2=CC=C(Br)C=C2C1	REAL300012074260	0	41	0.0	-29.39	327.74	10.25	-19.14
COC1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074261	0	41	0.0	-30.28	343.80	9.32	-20.96
CC(=CC1=CC=CC=C1)C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074262	0	44	0.0	-29.15	362.43	11.91	-17.24
CC(C)C1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1	REAL300012074263	0	46	0.0	-28.90	374.50	11.96	-16.94
CCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1	REAL300012074264	0	44	0.0	-29.15	366.79	10.38	-18.77
O=C([O-])C1([NH2+]CC2=CC=CC=C2F)CC2=CC=C(Br)C=C2C1	REAL300012074265	0	37	0.0	-29.34	319.86	10.06	-19.28
O=C([O-])C1([NH2+]CC2=CC=CC(F)=C2)CC2=CC=C(Br)C=C2C1	REAL300012074266	0	37	0.0	-31.47	320.70	10.09	-21.38
COC1=CC=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074267	0	41	0.0	-27.39	342.49	9.36	-18.03
CC1=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)SC=C1	REAL300012074268	0	37	0.0	-27.48	323.07	9.69	-17.79
CC1=CC=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074269	0	40	0.0	-27.87	328.42	10.61	-17.26
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1	REAL300012074270	0	40	0.0	-29.07	335.69	10.70	-18.37
N#CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1	REAL300012074271	0	38	0.0	-36.97	335.15	10.42	-26.55
CSC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1	REAL300012074272	0	41	0.0	-31.49	354.51	11.05	-20.44
CC1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074273	0	40	0.0	-28.98	335.70	10.69	-18.29
O=C([O-])C1([NH2+]CC2=CSC=C2)CC2=CC=C(Br)C=C2C1	REAL300012074274	0	34	0.0	-29.24	304.30	8.95	-20.29
CCC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1	REAL300012074275	0	43	0.0	-28.97	357.17	11.48	-17.49
O=C([O-])C1([NH2+]CC2=CC=C(F)C(F)=C2)CC2=CC=C(Br)C=C2C1	REAL300012074276	0	37	0.0	-35.89	327.00	10.15	-25.74
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)S1	REAL300012074277	0	37	0.0	-27.85	326.41	9.92	-17.93
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1O	REAL300012074278	0	42	0.0	-34.11	354.58	7.15	-26.96
CCC1=NN(C)C=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074279	0	43	0.0	-32.74	358.23	9.14	-23.60
O=C([O-])C1([NH2+]CC2=CC=CN=C2)CC2=CC=C(Br)C=C2C1	REAL300012074280	0	36	0.0	-32.45	309.13	8.25	-24.20
O=C([O-])C1([NH2+]CC2=CC=CO2)CC2=CC=C(Br)C=C2C1	REAL300012074281	0	34	0.0	-29.15	295.07	8.15	-21.00
O=C([O-])C1([NH2+]CC2=CC=NC=C2)CC2=CC=C(Br)C=C2C1	REAL300012074282	0	36	0.0	-32.87	309.17	8.26	-24.61
O=C([O-])C1([NH2+]CC2=CC=C(Cl)O2)CC2=CC=C(Br)C=C2C1	REAL300012074283	0	34	0.0	-30.98	312.17	8.77	-22.21
CC1=NC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CS1	REAL300012074284	0	36	0.0	-29.33	320.90	7.73	-21.60
CN1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=N1	REAL300012074285	0	37	0.0	-33.50	317.16	7.81	-25.69
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1C	REAL300012074286	0	44	0.0	-31.28	363.90	10.05	-21.23
O=C([O-])C1([NH2+]CC2=NC=CN2)CC2=CC=C(Br)C=C2C1	REAL300012074287	0	34	0.0	-31.51	293.71	6.76	-24.75
CN1C=CN=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074288	0	37	0.0	-30.86	314.81	8.41	-22.45
CC(C)(C)C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074289	0	39	0.0	-27.23	310.18	9.10	-18.13
COC1=CC=C(F)C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074290	0	41	0.0	-28.39	348.32	9.36	-19.03
CSC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)S1	REAL300012074291	0	38	0.0	-29.33	347.84	10.33	-19.00
O=C([O-])C1([NH2+]CC2=CC=CC3=C2OCO3)CC2=CC=C(Br)C=C2C1	REAL300012074292	0	40	0.0	-30.97	340.35	8.66	-22.31
O=C([O-])C1([NH2+]CC2=CN=CN=C2)CC2=CC=C(Br)C=C2C1	REAL300012074293	0	35	0.0	-34.47	303.95	8.03	-26.44
O=C([O-])C1([NH2+]CC2=C(Cl)C=CS2)CC2=CC=C(Br)C=C2C1	REAL300012074294	0	34	0.0	-26.85	319.79	9.58	-17.27
COC1=CC=C(F)C=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074295	0	41	0.0	-28.69	348.78	9.44	-19.25
O=C([O-])C1([NH2+]CC2=NNC=C2)CC2=CC=C(Br)C=C2C1	REAL300012074296	0	34	0.0	-29.84	294.19	6.43	-23.41
O=C([O-])C1([NH2+]CC2=CC=NN2)CC2=CC=C(Br)C=C2C1	REAL300012074296	1	34	0.0	-33.01	294.18	6.41	-26.60
NC(=O)C1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1	REAL300012074297	0	41	0.0	-38.36	348.83	6.81	-31.55
COC1=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CC=C1F	REAL300012074298	0	41	0.0	-35.42	350.05	9.37	-26.05
O=C([O-])C1([NH2+]CC2=CN=CS2)CC2=CC=C(Br)C=C2C1	REAL300012074299	0	33	0.0	-30.72	299.08	7.26	-23.46
CN1C=NC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074300	0	37	0.0	-33.41	314.52	9.15	-24.26
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1Cl	REAL300012074301	0	40	0.0	-30.58	349.78	11.12	-19.46
COC1=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CC=C1C	REAL300012074302	0	44	0.0	-30.87	363.90	10.05	-20.82
O=C([O-])C1([NH2+]CC2=CSC=N2)CC2=CC=C(Br)C=C2C1	REAL300012074303	0	33	0.0	-28.85	298.93	7.02	-21.83
CC1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1F	REAL300012074304	0	40	0.0	-29.40	340.19	10.68	-18.72
N#CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C(F)=C1	REAL300012074305	0	38	0.0	-35.12	339.59	10.47	-24.65
CC1=NNC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074306	0	37	0.0	-33.02	313.75	7.09	-25.93
CC1=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=NN1	REAL300012074306	1	37	0.0	-32.22	313.39	7.07	-25.15
CN1N=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074307	0	37	0.0	-32.98	314.90	7.60	-25.38
O=C([O-])C1([NH2+]CC2=CN3C=CC=CC3=N2)CC2=CC=C(Br)C=C2C1	REAL300012074308	0	40	0.0	-33.25	341.33	10.52	-22.73
O=C([O-])C1([NH2+]CC2=CSC(C3CC3)=N2)CC2=CC=C(Br)C=C2C1	REAL300012074309	0	40	0.0	-28.47	350.78	9.24	-19.23
CCC1=NC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CS1	REAL300012074310	0	39	0.0	-29.14	342.41	8.48	-20.66
CC1=NN(C)C=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074311	0	40	0.0	-33.40	336.75	8.41	-24.99
CCN1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=N1	REAL300012074312	0	40	0.0	-33.14	338.64	8.70	-24.44
CN1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)N=N1	REAL300012074313	0	36	0.0	-35.02	311.09	6.54	-28.48
NC(=O)C1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074314	0	41	0.0	-35.73	348.87	6.78	-28.95
CN1C=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=N1	REAL300012074315	0	37	0.0	-30.47	317.17	7.72	-22.75
CC1=CSC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=N1	REAL300012074316	0	36	0.0	-28.68	320.90	7.74	-20.94
COC1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1F	REAL300012074317	0	41	0.0	-32.35	349.16	9.36	-22.99
O=C([O-])C1([NH2+]CC2=CC=C3CCCC3=C2)CC2=CC=C(Br)C=C2C1	REAL300012074318	0	44	0.0	-29.15	359.80	11.94	-17.21
O=C([O-])C1([NH2+]CC2=COC=N2)CC2=CC=C(Br)C=C2C1	REAL300012074319	0	33	0.0	-32.18	289.74	4.62	-27.56
CCN1N=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074320	0	40	0.0	-31.45	332.15	8.55	-22.90
O=C([O-])C1([NH2+]CC2=CC3=CC=NC=C3C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074321	0	42	0.0	-34.68	355.29	10.51	-24.17
CC1=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)SC=N1	REAL300012074322	0	36	0.0	-30.03	318.12	7.79	-22.24
COC1=CC(F)=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074323	0	41	0.0	-31.70	350.22	9.38	-22.32
CC1=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=CS1	REAL300012074324	0	37	0.0	-28.24	321.57	9.73	-18.51
N#CC1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=N1	REAL300012074325	0	37	0.0	-36.44	330.27	8.48	-27.96
COC(=O)C1=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CN1	REAL300012074326	0	41	0.0	-36.12	355.95	8.45	-27.67
COCC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)O1	REAL300012074327	0	41	0.0	-31.02	350.63	8.03	-22.99
CC1=NC(F)=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074328	0	39	0.0	-34.70	329.97	8.74	-25.96
COC1=CC(C)=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074329	0	44	0.0	-27.82	363.84	10.05	-17.77
CC1=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CS1	REAL300012074330	0	37	0.0	-29.06	326.17	9.78	-19.28
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)N=N1	REAL300012074331	0	38	0.0	-33.38	325.85	7.72	-25.66
CN1N=NC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074332	0	36	0.0	-37.85	309.11	6.38	-31.47
O=C([O-])C1([NH2+]CC2=CC(Cl)=CS2)CC2=CC=C(Br)C=C2C1	REAL300012074333	0	34	0.0	-29.44	321.39	9.64	-19.80
CC1=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)N(C)N=C1	REAL300012074334	0	40	0.0	-32.02	335.27	8.20	-23.82
CC1=CC(Cl)=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074335	0	40	0.0	-30.39	352.44	11.18	-19.21
COCC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1	REAL300012074336	0	44	0.0	-30.89	369.35	9.77	-21.12
O=C([O-])C1([NH2+]CC2=CC=C(C3CC3)C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074337	0	44	0.0	-27.89	364.49	12.26	-15.63
O=C([O-])C1([NH2+]CC2=NC=C(Cl)S2)CC2=CC=C(Br)C=C2C1	REAL300012074338	0	33	0.0	-29.19	316.17	7.77	-21.42
C=CN1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=N1	REAL300012074339	0	38	0.0	-34.90	328.90	9.04	-25.86
O=C([O-])C1([NH2+]CC2=CC=C(C(F)F)C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074340	0	40	0.0	-32.54	346.48	10.90	-21.64
CC1=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=NN1C	REAL300012074341	0	40	0.0	-32.52	334.77	8.31	-24.21
O=C([O-])C1([NH2+]CC2=CN=C(C3CC3)N=C2)CC2=CC=C(Br)C=C2C1	REAL300012074342	0	42	0.0	-34.54	356.31	9.67	-24.87
COCCN1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=N1	REAL300012074343	0	44	0.0	-34.29	372.31	7.74	-26.55
N#CC1=CSC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074344	0	35	0.0	-35.54	325.56	9.55	-25.99
CC1=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CC=C1C#N	REAL300012074345	0	41	0.0	-36.98	354.33	10.90	-26.08
CC1=CN=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)S1	REAL300012074346	0	36	0.0	-28.27	320.99	7.97	-20.30
CC(C)CN1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=N1	REAL300012074347	0	46	0.0	-32.97	375.49	10.28	-22.69
CCC1=CN=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)S1	REAL300012074348	1	39	0.0	-28.02	342.47	8.75	-19.27
CC1=NN(C(C)C)C=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074349	0	46	0.0	-32.35	376.96	9.80	-22.55
O=C([O-])C1([NH2+]CC2=CN=C(C3CC3)S2)CC2=CC=C(Br)C=C2C1	REAL300012074350	0	40	0.0	-30.16	352.23	9.65	-20.51
CC(C)C1=NC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)S1	REAL300012074351	0	42	0.0	-29.83	363.26	9.35	-20.48
NC(=O)C1=CSC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074352	0	38	0.0	-35.87	340.63	5.90	-29.97
O=C([O-])C1([NH2+]CC2=NN(C(F)F)C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074353	0	37	0.0	-32.90	329.78	7.86	-25.04
CC(C)C1=CN=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)S1	REAL300012074354	1	42	0.0	-27.79	362.42	9.33	-18.46
CCN1N=C(C)C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=N1	REAL300012074355	0	42	0.0	-31.37	354.63	7.64	-23.73
O=C([O-])C1([NH2+]CC2=CC=CC(C3CC3)=C2)CC2=CC=C(Br)C=C2C1	REAL300012074356	0	44	0.0	-29.12	363.50	12.12	-17.00
CC1=NN(C)C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074357	0	40	0.0	-32.98	336.85	8.17	-24.81
N#CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1F	REAL300012074358	0	38	0.0	-40.40	341.08	10.45	-29.95
CC(C)CN1N=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074359	0	46	0.0	-31.67	376.65	10.05	-21.62
O=C([O-])C1([NH2+]CC2=NN3CCCCC3=C2)CC2=CC=C(Br)C=C2C1	REAL300012074360	0	44	0.0	-28.85	358.89	9.36	-19.49
O=C([O-])C1([NH2+]CC2=CC3=CN=CC=C3O2)CC2=CC=C(Br)C=C2C1	REAL300012074361	0	39	0.0	-33.34	336.90	8.83	-24.51
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C(Cl)=C1	REAL300012074362	0	40	0.0	-28.08	347.64	11.17	-16.91
CCC1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074363	0	43	0.0	-28.94	357.19	11.44	-17.50
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C(F)=C1	REAL300012074364	0	41	0.0	-29.58	348.28	9.37	-20.21
O=C([O-])C1([NH2+]CC2=CC=CC3=C2CCC3)CC2=CC=C(Br)C=C2C1	REAL300012074365	0	44	0.0	-28.24	357.11	11.90	-16.34
O=C([O-])C1([NH2+]CC2=C3CCCN3N=C2)CC2=CC=C(Br)C=C2C1	REAL300012074366	0	41	0.0	-32.96	340.76	8.63	-24.33
C=CCCN1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)N=N1	REAL300012074367	0	43	0.0	-34.13	366.82	8.69	-25.44
O=C([O-])C1([NH2+]CC2=CC=NN2CC2CC2)CC2=CC=C(Br)C=C2C1	REAL300012074368	0	44	0.0	-29.97	361.43	10.01	-19.96
COCC1=CSC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074369	0	41	0.0	-29.23	359.81	8.86	-20.37
O=C([O-])C1([NH2+]CC2=CN(C3CCC3)N=N2)CC2=CC=C(Br)C=C2C1	REAL300012074370	0	43	0.0	-33.21	354.38	8.39	-24.82
CCCN1N=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074371	0	43	0.0	-31.02	353.65	9.30	-21.72
CCCC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)S1	REAL300012074372	0	43	0.0	-27.67	369.39	11.49	-16.18
CC(C)C1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074373	0	46	0.0	-28.82	374.51	11.95	-16.87
CN1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C(Cl)=N1	REAL300012074374	0	37	0.0	-33.05	333.70	8.25	-24.80
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C(F)=C1	REAL300012074375	0	40	0.0	-29.22	340.34	10.74	-18.48
CC1=C(C)C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CS1	REAL300012074376	0	40	0.0	-28.14	340.90	10.35	-17.79
O=C([O-])C1([NH2+]CC2=CN=C(Cl)C(F)=C2)CC2=CC=C(Br)C=C2C1	REAL300012074377	0	36	0.0	-36.93	331.89	8.72	-28.21
CC1=C(Cl)C=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074378	0	40	0.0	-30.27	343.82	11.02	-19.25
O=C([O-])C1([NH2+]CC2=CC(F)=CC(F)=C2O)CC2=CC=C(Br)C=C2C1	REAL300012074379	1	38	0.0	-33.11	336.56	7.37	-25.74
O=C([O-])C1([NH2+]CC2=CC=CC3=NC=CC=C23)CC2=CC=C(Br)C=C2C1	REAL300012074380	0	42	0.0	-33.76	349.83	10.26	-23.50
O=C([O-])C1([NH2+]CC2=CC3=NC=CN=C3C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074381	0	41	0.0	-35.70	350.34	8.43	-27.27
CC1=COC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074382	0	37	0.0	-28.93	316.98	8.83	-20.10
O=C([O-])C1([NH2+]CC2=CC=C(Cl)C=N2)CC2=CC=C(Br)C=C2C1	REAL300012074383	0	36	0.0	-30.18	326.02	8.70	-21.48
O=C([O-])C1([NH2+]CC2=CN(CCF)N=C2)CC2=CC=C(Br)C=C2C1	REAL300012074385	0	40	0.0	-34.60	345.23	8.83	-25.77
CCCC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1	REAL300012074387	0	46	0.0	-28.91	378.67	12.26	-16.65
O=C([O-])C1([NH2+]CC2=NC=CS2)CC2=CC=C(Br)C=C2C1	REAL300012074388	0	33	0.0	-28.74	299.07	7.17	-21.57
O=C([O-])C1([NH2+]CC2=C3C=CC=CC3=NN2)CC2=CC=C(Br)C=C2C1	REAL300012074389	0	40	0.0	-35.10	341.18	8.63	-26.47
O=C([O-])C1([NH2+]CC2=NNC3=CC=CC=C32)CC2=CC=C(Br)C=C2C1	REAL300012074389	1	40	0.0	-30.56	341.44	8.64	-21.92
CCC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)S1	REAL300012074390	0	40	0.0	-27.73	347.88	10.71	-17.02
CCC1=NC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)S1	REAL300012074391	0	39	0.0	-30.15	342.48	8.74	-21.41
COC1=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)SC=C1	REAL300012074392	0	38	0.0	-26.47	334.48	8.42	-18.05
O=C([O-])C1([NH2+]CC2=CSC=C2Cl)CC2=CC=C(Br)C=C2C1	REAL300012074393	0	34	0.0	-28.58	319.07	9.43	-19.15
O=C([O-])C1([NH2+]CC2CC3CCC2C3)CC2=CC=C(Br)C=C2C1	REAL300012074394	0	44	0.0	-28.64	339.28	10.64	-18.00
O=C([O-])C1([NH2+]CC2=CC=C(F)N=C2)CC2=CC=C(Br)C=C2C1	REAL300012074395	0	36	0.0	-36.20	315.56	8.19	-28.01
CC1=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)NN=C1	REAL300012074396	0	37	0.0	-31.77	313.34	7.06	-24.71
CC1=CNN=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074396	1	37	0.0	-29.62	314.04	7.03	-22.59
CC1=CN=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)N1C	REAL300012074397	0	40	0.0	-31.66	334.75	8.87	-22.79
CC(C)C1CCC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)CC1	REAL300012074398	0	52	0.0	-28.04	384.28	11.83	-16.21
CN1N=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1Cl	REAL300012074399	0	37	0.0	-29.86	332.99	8.15	-21.71
O=C([O-])C1([NH2+]CC2=CC3=CC=CN=C3O2)CC2=CC=C(Br)C=C2C1	REAL300012074400	0	39	0.0	-35.96	336.98	7.50	-28.46
CC1=CN=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074401	0	39	0.0	-31.49	324.19	8.85	-22.64
O=C([O-])C1([NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)CC2=CC=C(Br)C=C2C1	REAL300012074402	0	44	0.0	-30.64	363.46	12.15	-18.49
CC(C)N1C=CN=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074404	0	43	0.0	-30.13	355.16	9.83	-20.30
CC1=NC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)N1C	REAL300012074405	0	40	0.0	-33.35	334.81	8.98	-24.37
CC1=C2C=C(C[NH2+]C3(C(=O)[O-])CC4=CC=C(Br)C=C4C3)NC2=CC=C1	REAL300012074406	0	44	0.0	-32.07	367.12	10.62	-21.45
CC1=CC=C2C=C(C[NH2+]C3(C(=O)[O-])CC4=CC=C(Br)C=C4C3)NC2=C1	REAL300012074407	0	44	0.0	-32.01	367.54	10.64	-21.37
CC1=NC=CN=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074408	0	38	0.0	-30.08	321.27	6.82	-23.26
CCOC1=CN=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074409	0	43	0.0	-32.38	360.58	8.44	-23.94
O=C([O-])C1([NH2+]CC2=CC=NC=C2Cl)CC2=CC=C(Br)C=C2C1	REAL300012074410	0	36	0.0	-31.09	322.45	8.69	-22.40
CCC(F)(F)C(C)(C)C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074411	0	45	0.0	-28.73	353.81	10.39	-18.34
O=C([O-])C1([NH2+]CC2=CC=NC(F)=C2)CC2=CC=C(Br)C=C2C1	REAL300012074412	0	36	0.0	-36.12	315.63	8.19	-27.93
O=C([O-])C1([NH2+]CC2=CC=C3C=CNC3=C2)CC2=CC=C(Br)C=C2C1	REAL300012074413	0	41	0.0	-31.76	345.66	10.05	-21.71
O=C([O-])C1([NH2+]CC2=CC=C(C(F)F)N=C2)CC2=CC=C(Br)C=C2C1	REAL300012074414	0	39	0.0	-34.89	343.71	9.11	-25.78
COC1=CN=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1C	REAL300012074415	0	43	0.0	-31.33	352.58	8.18	-23.15
CCCN1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)N=N1	REAL300012074416	0	42	0.0	-34.36	354.01	8.14	-26.22
O=C([O-])C1([NH2+]CC2=CN(C3CC3)C=N2)CC2=CC=C(Br)C=C2C1	REAL300012074417	0	41	0.0	-29.61	345.67	10.68	-18.93
CC1=NSC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074418	0	36	0.0	-31.86	320.85	8.44	-23.42
CCN1N=CN=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074419	0	39	0.0	-32.22	332.26	9.14	-23.08
O=C([O-])C1([NH2+]CC2=CN=C(C3CC3)O2)CC2=CC=C(Br)C=C2C1	REAL300012074420	1	40	0.0	-31.12	343.00	7.33	-23.79
CCC1=CNC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=N1	REAL300012074421	0	40	0.0	-32.30	337.13	8.09	-24.21
CCC1=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C(Cl)=NN1	REAL300012074422	0	40	0.0	-31.51	352.45	8.14	-23.37
CCN1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)N=N1	REAL300012074423	0	39	0.0	-34.71	332.55	7.35	-27.36
CCOC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)O1	REAL300012074424	0	41	0.0	-30.69	349.97	9.53	-21.16
CCN1C=NC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074425	0	40	0.0	-29.85	338.20	10.19	-19.66
CC1=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CN=C1F	REAL300012074426	0	39	0.0	-35.96	335.93	8.82	-27.14
CC1=CC(F)=NC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074427	0	39	0.0	-33.99	330.60	8.80	-25.19
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C(C)=C1	REAL300012074428	0	44	0.0	-30.08	357.87	9.90	-20.18
O=C([O-])C1([NH2+]CC2=CC=CC3=C2OCC3)CC2=CC=C(Br)C=C2C1	REAL300012074429	0	42	0.0	-28.71	350.04	9.86	-18.85
CN1N=C2CCCC2=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074430	0	44	0.0	-32.65	361.03	9.49	-23.16
O=C([O-])C1([NH2+]CC2=CC=NN2C2CCC2)CC2=CC=C(Br)C=C2C1	REAL300012074431	0	44	0.0	-31.64	363.14	9.80	-21.84
O=C([O-])C1([NH2+]CC2=CN(C3CCC3)N=C2)CC2=CC=C(Br)C=C2C1	REAL300012074432	0	44	0.0	-32.44	362.46	9.81	-22.63
COC1=CC=C(C)C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074433	0	44	0.0	-29.01	359.20	9.87	-19.14
CCC1=CC=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074434	0	43	0.0	-27.31	347.51	11.27	-16.04
CC1=CC(F)=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074435	0	40	0.0	-31.08	342.12	10.74	-20.34
CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C(C)=C1C	REAL300012074436	0	46	0.0	-27.81	363.27	11.72	-16.09
CC1=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=NN1C(C)C	REAL300012074437	0	46	0.0	-31.58	377.22	9.81	-21.77
CCOC1=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CC=N1	REAL300012074438	0	43	0.0	-33.06	363.27	7.66	-25.40
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)O1	REAL300012074439	0	38	0.0	-30.94	328.11	8.59	-22.35
O=C([O-])C1([NH2+]CC2=NN(CCF)C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074440	0	40	0.0	-30.58	345.29	8.74	-21.84
CCN1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C(C)=N1	REAL300012074441	0	43	0.0	-33.18	358.25	9.28	-23.90
CN1N=C(C2CC2)C=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074442	0	44	0.0	-33.20	366.62	9.68	-23.52
COC1=NC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1F	REAL300012074443	0	40	0.0	-34.58	346.96	6.79	-27.79
O=C([O-])C1([NH2+]CC2=CN3C=CN=C3S2)CC2=CC=C(Br)C=C2C1	REAL300012074444	0	37	0.0	-37.41	331.67	9.99	-27.42
CC1=C(C)SC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=N1	REAL300012074445	0	39	0.0	-28.33	341.24	8.52	-19.81
O=C([O-])C1([NH2+]CC2=CSN=C2)CC2=CC=C(Br)C=C2C1	REAL300012074446	0	33	0.0	-33.61	298.86	7.66	-25.95
CC(C)CN1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)N=N1	REAL300012074447	0	45	0.0	-34.16	373.80	8.88	-25.28
O=C([O-])C1([NH2+]CC2=NC(C3CC3)=CS2)CC2=CC=C(Br)C=C2C1	REAL300012074448	1	40	0.0	-28.14	350.19	9.25	-18.89
O=C([O-])C1([NH2+]CC2=CC=C3CCOC3=C2)CC2=CC=C(Br)C=C2C1	REAL300012074449	0	42	0.0	-31.73	350.14	9.88	-21.85
CN1C=C(Cl)C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=N1	REAL300012074450	0	37	0.0	-28.18	333.76	8.22	-19.96
CSC1=CC=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074451	0	41	0.0	-30.14	354.51	11.03	-19.11
CC1=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CC(C)=N1	REAL300012074452	0	42	0.0	-32.79	352.39	9.49	-23.30
CCCN1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C(C)=N1	REAL300012074453	0	46	0.0	-32.92	379.78	10.04	-22.88
CCN1C=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=N1	REAL300012074454	0	40	0.0	-30.21	338.73	8.59	-21.62
O=C([O-])C1([NH2+]CC2=CC3=NC=CC=C3O2)CC2=CC=C(Br)C=C2C1	REAL300012074455	0	39	0.0	-33.72	336.93	8.75	-24.97
O=C([O-])C1([NH2+]CC2=CC(C3CCC3)=NN2)CC2=CC=C(Br)C=C2C1	REAL300012074457	0	44	0.0	-32.70	361.40	8.94	-23.76
CCCN1C=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=N1	REAL300012074458	0	43	0.0	-29.97	360.22	9.35	-20.62
CC(C)N1C=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=N1	REAL300012074459	0	43	0.0	-28.88	357.37	9.12	-19.76
COC1=NN(C)C=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074460	0	41	0.0	-33.85	349.99	5.76	-28.09
O=C([O-])C1([NH2+]CC2=CC3=C(CCCC3)O2)CC2=CC=C(Br)C=C2C1	REAL300012074461	0	44	0.0	-28.52	358.58	10.85	-17.67
COC1=CC(C)=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=N1	REAL300012074463	0	43	0.0	-32.12	356.34	7.33	-24.79
COC1=NC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=CC=C1C	REAL300012074464	0	43	0.0	-31.16	361.66	7.40	-23.76
CCCN1C=NC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074465	0	43	0.0	-30.86	354.87	11.05	-19.81
O=C([O-])C1([NH2+]CC2=CC=CNC2=O)CC2=CC=C(Br)C=C2C1	REAL300012074466	0	37	0.0	-35.94	317.96	6.93	-29.01
O=C([O-])C1([NH2+]CC2=CC(C3CC3)=NN2)CC2=CC=C(Br)C=C2C1	REAL300012074467	0	41	0.0	-33.27	345.94	8.48	-24.79
COC1=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=CS1	REAL300012074468	0	38	0.0	-27.78	335.91	8.43	-19.35
CC(C)(C)C1=NNC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074469	0	46	0.0	-32.76	376.28	8.85	-23.91
O=C([O-])C1([NH2+]CC=CC2=CC=CC=C2)CC2=CC=C(Br)C=C2C1	REAL300012074470	0	41	0.0	-29.85	346.47	11.45	-18.40
O=C([O-])C1([NH2+]CC2=CN=NN2C2CC2)CC2=CC=C(Br)C=C2C1	REAL300012074471	0	40	0.0	-36.61	340.82	8.02	-28.59
O=C([O-])C1([NH2+]CC2=CN(CCO)N=C2)CC2=CC=C(Br)C=C2C1	REAL300012074472	0	41	0.0	-34.83	350.06	5.34	-29.49
O=C([O-])C1([NH2+]CC=CC2=CC=NC=C2)CC2=CC=C(Br)C=C2C1	REAL300012074473	0	40	0.0	-33.19	341.49	9.69	-23.50
C=CC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=C1	REAL300012074474	0	41	0.0	-29.81	345.41	11.12	-18.69
O=C([O-])C1([NH2+]CC2=CC3=CN=CC=C3C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074475	0	42	0.0	-34.84	355.28	10.51	-24.33
CCN1C=C(Cl)C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=N1	REAL300012074476	0	40	0.0	-27.83	355.28	9.08	-18.75
O=C([O-])C1([NH2+]CC2=CC=CC(C(F)F)=C2)CC2=CC=C(Br)C=C2C1	REAL300012074477	0	40	0.0	-31.62	346.46	10.88	-20.74
O=C([O-])C1([NH2+]CC2=CSC(Cl)=C2)CC2=CC=C(Br)C=C2C1	REAL300012074478	0	34	0.0	-31.22	321.32	9.59	-21.63
O=C([O-])C1([NH2+]CC2=NN(C3CCC3)C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074479	0	44	0.0	-28.94	360.41	9.61	-19.33
CC1=CN(C)C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=N1	REAL300012074480	0	40	0.0	-30.95	335.87	8.99	-21.96
CC1=NSC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074481	0	36	0.0	-32.33	315.20	8.22	-24.11
O=C([O-])C1([NH2+]CC2=CC=CC=C2C(F)F)CC2=CC=C(Br)C=C2C1	REAL300012074482	0	40	0.0	-29.16	336.75	10.97	-18.19
O=C([O-])C1([NH2+]CC2=CC3=CNN=C3C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074483	0	40	0.0	-37.63	340.54	8.74	-28.89
CC1=C(F)C=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074484	0	40	0.0	-31.11	335.08	10.61	-20.50
CC1=NC(Cl)=CC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074485	0	39	0.0	-33.67	340.45	9.21	-24.46
COC1=CC(C)=NC=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074486	0	43	0.0	-29.73	359.55	8.22	-21.51
CC(C)N1C=NC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074487	0	43	0.0	-29.38	357.82	10.58	-18.80
CC(C)OC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)O1	REAL300012074488	0	44	0.0	-30.57	370.27	10.24	-20.33
N#CC1=CC(F)=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1	REAL300012074489	0	38	0.0	-37.38	341.57	10.46	-26.92
COC1=CC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C(C)=N1	REAL300012074490	0	43	0.0	-32.96	356.99	7.25	-25.71
CC1=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=NS1	REAL300012074491	0	36	0.0	-32.36	317.13	8.43	-23.93
CC1=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=NO1	REAL300012074492	0	36	0.0	-32.85	309.42	8.28	-24.57
O=C([O-])C1([NH2+]CC2=CC=C(CF)C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074493	0	40	0.0	-31.24	342.27	10.85	-20.39
CC1=NSC(C)=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074494	0	39	0.0	-31.93	335.81	8.86	-23.07
C=CCN1C=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)C=N1	REAL300012074495	0	41	0.0	-33.24	351.45	9.24	-24.00
O=C([O-])C1([NH2+]CC2=CC3=NNC=C3C=C2)CC2=CC=C(Br)C=C2C1	REAL300012074496	0	40	0.0	-35.15	340.57	8.73	-26.42
CC1=NC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C(C)S1	REAL300012074497	0	39	0.0	-28.60	340.26	8.45	-20.15
CCCN1N=CC(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)=C1C	REAL300012074498	0	46	0.0	-31.69	378.09	9.87	-21.82
CCCN1N=C(C)C=C1C[NH2+]C1(C(=O)[O-])CC2=CC=C(Br)C=C2C1	REAL300012074499	0	46	0.0	-31.11	375.49	9.90	-21.21
CC(C)(C)C1=NC=C(C[NH2+]C2(C(=O)[O-])CC3=CC=C(Br)C=C3C2)O1	REAL300012074500	1	45	0.0	-30.65	373.49	7.52	-23.13
CC1=CC=C(N2C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012074501	0	51	0.0	-34.37	392.65	10.93	-23.44
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012074502	0	47	0.0	-34.15	386.84	10.17	-23.98
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074503	0	39	0.0	-35.60	347.56	8.92	-26.68
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012074504	0	46	0.0	-36.40	383.47	11.43	-24.97
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012074505	0	47	0.0	-35.68	403.57	10.69	-24.99
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OCC1=CC=C(F)C=C1	REAL300012074506	0	47	0.0	-41.11	394.78	10.11	-31.00
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C2)C=C1	REAL300012074507	0	47	0.0	-42.38	390.67	8.22	-34.16
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(NC(=O)C2=CC=CC=C2Cl)=CC=C1	REAL300012074508	0	43	0.0	-40.87	373.78	9.42	-31.45
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074509	0	39	0.0	-37.97	325.62	8.65	-29.32
N#CCCN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012074510	0	43	0.0	-35.81	370.64	9.44	-26.37
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OC(F)F	REAL300012074511	0	37	0.0	-35.30	314.83	6.48	-28.82
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012074512	0	45	0.0	-32.92	379.09	9.68	-23.24
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1	REAL300012074513	1	36	0.0	-29.51	329.18	9.56	-19.95
CCOC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC(Br)=C1OC	REAL300012074514	0	40	0.0	-34.71	351.27	7.86	-26.85
CCOC1=C(Br)C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074515	0	40	0.0	-39.32	352.80	7.77	-31.55
C=CCOC1=C(Br)C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074516	0	41	0.0	-35.65	365.50	8.52	-27.13
CCCOC1=C(Br)C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074517	0	43	0.0	-35.32	374.09	8.74	-26.58
CCCOC1=CC=C(Br)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074518	0	39	0.0	-33.84	341.97	8.62	-25.22
CCOC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OC	REAL300012074519	0	40	0.0	-33.47	328.25	7.16	-26.31
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012074520	0	43	0.0	-32.57	357.56	10.39	-22.18
CCCCCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074521	0	45	0.0	-31.84	363.50	9.63	-22.21
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012074522	0	38	0.0	-33.90	334.77	9.56	-24.34
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012074523	0	38	0.0	-34.39	336.08	9.60	-24.79
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1Br	REAL300012074524	0	33	0.0	-35.79	299.10	6.87	-28.92
CCCCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074525	0	46	0.0	-34.49	371.25	8.74	-25.75
CCCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074526	0	43	0.0	-33.24	349.75	7.96	-25.28
C=CCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074527	0	41	0.0	-37.61	341.37	7.57	-30.04
CCCCCCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074528	0	52	0.0	-38.34	414.46	10.13	-28.21
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012074529	1	36	0.0	-29.50	324.62	9.45	-20.05
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012074530	0	36	0.0	-33.35	324.97	9.31	-24.04
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1	REAL300012074531	1	36	0.0	-33.50	329.40	9.38	-24.12
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012074532	0	36	0.0	-33.89	333.75	10.21	-23.68
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012074533	0	39	0.0	-31.63	330.57	8.67	-22.96
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC(OC)=C1OCC1=CC=CC=C1	REAL300012074534	0	51	0.0	-40.52	421.53	9.97	-30.55
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012074535	0	38	0.0	-34.34	330.69	10.17	-24.17
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012074536	0	48	0.0	-31.90	389.91	8.13	-23.77
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012074537	0	35	0.0	-31.50	319.12	7.72	-23.78
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012074538	0	33	0.0	-32.99	290.96	6.87	-26.12
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012074539	0	33	0.0	-30.35	302.73	8.46	-21.89
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012074540	0	36	0.0	-26.07	306.47	4.73	-21.34
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012074541	0	33	0.0	-31.47	293.65	6.83	-24.64
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012074542	0	38	0.0	-33.87	342.35	10.45	-23.42
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012074543	0	38	0.0	-38.06	344.41	10.37	-27.69
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012074544	0	36	0.0	-33.02	312.07	6.84	-26.18
CC1=CC=C(C2=NNC=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074545	0	39	0.0	-28.15	324.21	7.53	-20.62
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012074546	0	33	0.0	-32.75	281.62	5.84	-26.91
COC1=CC=C(C2=NNC=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074547	0	40	0.0	-34.88	329.60	6.03	-28.85
CCOC1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012074548	0	48	0.0	-31.45	372.49	7.08	-24.37
CC1=CC=C(C2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])O2)C=C1	REAL300012074549	1	39	0.0	-28.61	327.97	9.56	-19.05
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012074550	0	42	0.0	-40.78	349.46	5.90	-34.88
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012074551	0	44	0.0	-38.62	356.18	7.48	-31.14
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012074552	0	36	0.0	-30.02	321.90	9.89	-20.13
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012074553	0	42	0.0	-33.71	346.93	8.38	-25.33
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074554	0	38	0.0	-27.65	317.18	6.01	-21.64
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)S1	REAL300012074555	0	36	0.0	-29.49	336.78	10.44	-19.05
CC(C)N1N=CC2=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C(Cl)N=C21	REAL300012074556	0	40	0.0	-32.08	348.01	8.02	-24.06
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012074557	0	36	0.0	-28.91	331.09	10.30	-18.61
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012074558	0	46	0.0	-36.35	383.04	8.44	-27.91
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012074559	0	36	0.0	-34.12	326.38	9.86	-24.26
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2Br)S1	REAL300012074560	0	36	0.0	-28.91	334.68	10.36	-18.55
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012074561	0	32	0.0	-26.90	296.92	8.46	-18.44
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012074562	0	32	0.0	-32.38	290.65	8.05	-24.33
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012074563	0	32	0.0	-33.21	281.30	8.12	-25.09
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012074564	0	32	0.0	-32.20	291.80	8.09	-24.11
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012074565	0	32	0.0	-29.07	290.92	8.08	-20.99
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(Cl)=C1OC	REAL300012074566	0	37	0.0	-39.29	320.25	6.58	-32.71
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074567	0	45	0.0	-30.28	381.69	10.12	-20.16
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)S1	REAL300012074568	0	36	0.0	-33.13	337.00	10.26	-22.87
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012074569	0	33	0.0	-34.15	302.49	7.02	-27.13
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012074570	0	36	0.0	-28.70	330.91	10.29	-18.41
N#CC1=CC=CC(COC2=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C2)=C1	REAL300012074571	0	44	0.0	-41.77	380.00	10.53	-31.24
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012074572	0	39	0.0	-40.32	330.61	5.39	-34.93
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012074573	0	40	0.0	-34.90	346.50	7.58	-27.32
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012074574	0	42	0.0	-35.04	352.47	8.51	-26.53
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012074575	0	35	0.0	-32.92	311.18	6.82	-26.10
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=C2OCCCOC2=C1	REAL300012074576	0	38	0.0	-34.43	330.92	7.64	-26.79
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012074577	0	39	0.0	-44.74	347.38	9.03	-35.71
CC(C)C1=NN(C)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074578	0	38	0.0	-30.81	329.29	6.85	-23.96
COCCOC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074579	0	40	0.0	-39.24	332.85	6.36	-32.88
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012074580	0	34	0.0	-33.09	309.44	5.83	-27.26
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=N1	REAL300012074582	0	45	0.0	-39.40	365.98	6.79	-32.61
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012074583	0	36	0.0	-40.40	320.11	7.60	-32.80
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012074584	0	38	0.0	-39.64	309.03	6.93	-32.71
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012074586	0	36	0.0	-33.66	313.91	9.45	-24.21
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012074587	0	43	0.0	-30.11	340.42	9.18	-20.93
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012074588	0	42	0.0	-37.19	350.93	9.44	-27.75
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012074590	0	43	0.0	-37.78	364.17	10.35	-27.43
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012074591	0	39	0.0	-28.45	344.08	7.35	-21.10
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012074592	0	38	0.0	-32.10	351.40	8.66	-23.44
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1	REAL300012074593	0	39	0.0	-32.52	362.34	7.73	-24.79
CC1=CC=C(OCC2=NC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CS2)C=C1	REAL300012074594	0	42	0.0	-27.70	364.17	7.98	-19.72
COC1=CC=C(OCC2=NC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CS2)C=C1	REAL300012074595	0	43	0.0	-32.87	373.79	6.47	-26.40
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012074596	0	32	0.0	-30.72	305.06	6.64	-24.08
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012074597	0	36	0.0	-29.33	320.59	9.84	-19.49
CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074598	0	43	0.0	-43.14	353.25	7.92	-35.22
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012074599	0	43	0.0	-31.09	341.36	9.32	-21.77
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074600	0	46	0.0	-29.30	373.92	7.81	-21.49
CC1=CC=C(C2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])S2)C=C1	REAL300012074601	0	39	0.0	-32.82	337.11	10.32	-22.50
COC1=CC(OC)=CC(OC2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2)=C1	REAL300012074602	0	48	0.0	-38.76	398.58	8.44	-30.32
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012074603	0	35	0.0	-33.56	313.75	7.35	-26.21
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074604	0	33	0.0	-34.00	311.51	7.36	-26.64
CCOCCOC1=CC=C(Br)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074605	0	43	0.0	-32.17	374.42	8.18	-23.99
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012074606	0	29	0.0	-33.01	282.25	7.96	-25.05
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012074607	0	29	0.0	-31.80	277.03	7.82	-23.98
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012074608	0	40	0.0	-30.99	347.85	9.99	-21.00
CCOC1=C(OC)C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074609	0	44	0.0	-35.07	360.09	7.06	-28.01
COCCCOC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074610	0	43	0.0	-34.38	352.86	7.09	-27.29
COC1=CC=C(OC(F)F)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074611	0	37	0.0	-31.01	315.01	5.96	-25.05
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(Br)=C1OC(F)F	REAL300012074612	0	33	0.0	-31.27	302.11	7.21	-24.06
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012074613	0	33	0.0	-26.75	299.61	7.08	-19.67
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012074614	0	49	0.0	-34.17	400.59	11.83	-22.34
CC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012074615	0	42	0.0	-34.42	350.79	8.73	-25.69
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012074616	0	47	0.0	-41.12	387.70	8.29	-32.83
CC1=CC=C(C2=NC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])S2)C=C1	REAL300012074617	0	38	0.0	-31.15	334.07	8.74	-22.41
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012074618	0	34	0.0	-31.08	302.84	8.04	-23.04
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012074619	0	34	0.0	-37.42	303.44	7.87	-29.55
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012074620	0	36	0.0	-31.05	322.38	9.10	-21.95
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])O1	REAL300012074621	1	39	0.0	-29.07	333.48	9.64	-19.43
CCC1=CC=C(C2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])O2)C=C1	REAL300012074622	1	42	0.0	-28.37	349.46	10.34	-18.03
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(OC(F)F)=C1	REAL300012074623	0	37	0.0	-34.81	315.01	5.98	-28.83
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012074624	0	37	0.0	-30.11	313.09	8.76	-21.35
CC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1Br	REAL300012074625	0	32	0.0	-32.82	287.14	8.23	-24.59
CC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1Br	REAL300012074626	0	32	0.0	-36.04	288.68	8.09	-27.95
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012074627	0	34	0.0	-31.14	298.83	7.32	-23.82
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])O2)C=C1	REAL300012074628	1	48	0.0	-28.72	384.01	11.25	-17.47
CC1=CC=C(C)C(OC2=CC=CC(Cl)=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1C	REAL300012074629	0	49	0.0	-25.86	407.17	12.30	-13.56
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074630	0	49	0.0	-31.21	379.52	9.60	-21.61
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074631	0	49	0.0	-32.48	389.85	10.04	-22.44
CC1=CC=CC(COC2=C(C)C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2C)=C1	REAL300012074632	0	52	0.0	-31.88	423.10	12.57	-19.31
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1C	REAL300012074633	0	52	0.0	-36.04	419.40	12.46	-23.58
CC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300012074634	0	49	0.0	-36.50	417.70	12.40	-24.10
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074635	0	47	0.0	-31.75	382.48	11.81	-19.94
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074636	0	45	0.0	-30.95	386.56	10.17	-20.78
CCN(CC)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1F	REAL300012074637	0	43	0.0	-30.90	348.12	8.21	-22.69
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C(SC)C=C1OC	REAL300012074638	0	41	0.0	-35.81	341.99	7.01	-28.80
COC1=CC=C2N=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])SC2=C1	REAL300012074639	0	35	0.0	-36.59	309.51	5.68	-30.91
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074640	0	35	0.0	-31.56	312.97	7.78	-23.78
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012074641	0	33	0.0	-31.15	296.14	8.26	-22.89
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012074642	0	33	0.0	-39.06	294.67	6.56	-32.50
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074643	0	35	0.0	-30.26	296.52	8.50	-21.76
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC(Cl)=C1OC	REAL300012074644	0	37	0.0	-35.68	326.35	6.88	-28.80
CCOC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OC(C)C(=O)N(C)C	REAL300012074645	0	53	0.0	-47.40	423.20	8.82	-38.58
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=CC=C1OC(F)F	REAL300012074646	0	33	0.0	-34.42	308.37	7.17	-27.25
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074647	0	45	0.0	-35.09	389.46	10.07	-25.02
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OCC(C)C	REAL300012074648	0	46	0.0	-32.48	368.53	8.60	-23.88
CCCOC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OC	REAL300012074649	0	43	0.0	-37.07	349.96	7.78	-29.29
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)S1	REAL300012074650	0	26	0.0	-28.44	259.55	6.87	-21.57
CCOC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC(Cl)=C1OC	REAL300012074651	0	40	0.0	-35.48	348.21	7.80	-27.68
COC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1OC(C)C	REAL300012074652	0	43	0.0	-33.83	340.58	7.53	-26.30
CCOC1=C(Cl)C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074653	0	40	0.0	-35.53	348.21	7.83	-27.70
CCCOC1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=CC=C1OCC	REAL300012074654	0	46	0.0	-30.69	370.06	8.95	-21.74
CCCCOC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OC	REAL300012074655	0	46	0.0	-32.64	369.92	8.70	-23.94
CCCOC1=C(Cl)C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OCC	REAL300012074656	0	46	0.0	-39.12	391.77	9.38	-29.74
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074657	0	45	0.0	-26.85	381.63	10.61	-16.24
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC(F)F	REAL300012074658	0	37	0.0	-31.47	316.15	6.53	-24.94
CCOC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OC(F)F	REAL300012074659	0	40	0.0	-35.07	336.69	7.40	-27.67
CC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012074660	0	39	0.0	-32.37	323.57	7.98	-24.39
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300012074661	0	35	0.0	-31.42	335.33	8.31	-23.11
CCOC1=CC2=C(C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-])OC(C)C2	REAL300012074662	0	44	0.0	-33.99	354.74	7.75	-26.24
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC2=C1OCCO2	REAL300012074663	0	39	0.0	-36.07	320.02	6.02	-30.05
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012074664	1	38	0.0	-36.49	343.66	8.34	-28.15
CCCCN1N=C(C)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1Cl	REAL300012074665	0	41	0.0	-30.48	350.60	8.09	-22.39
CCOC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1OC(F)F	REAL300012074666	0	40	0.0	-32.94	336.01	7.64	-25.30
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012074667	0	47	0.0	-47.16	383.04	9.07	-38.09
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1C	REAL300012074668	0	52	0.0	-29.32	421.05	12.80	-16.52
CC1=CC=CC(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074669	0	52	0.0	-31.75	431.45	12.62	-19.13
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012074670	0	49	0.0	-28.82	406.74	12.01	-16.81
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012074671	0	36	0.0	-28.56	314.18	9.78	-18.78
CCCOC1=C(Cl)C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074672	0	43	0.0	-35.44	369.71	8.63	-26.81
CC1=CC=C(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074673	0	52	0.0	-29.21	429.52	12.73	-16.48
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074674	0	51	0.0	-35.47	396.64	10.71	-24.76
CC(C)(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074675	0	48	0.0	-30.85	390.82	10.61	-20.24
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074676	0	48	0.0	-33.91	409.94	10.68	-23.23
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012074677	0	36	0.0	-36.87	322.80	8.94	-27.93
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074678	0	52	0.0	-35.89	417.00	9.34	-26.55
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012074679	0	45	0.0	-32.33	351.20	8.48	-23.85
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074680	0	48	0.0	-33.28	380.92	11.07	-22.21
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012074682	0	36	0.0	-32.38	322.39	7.30	-25.08
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OCC1=C(C)ON=C1C	REAL300012074683	0	49	0.0	-37.17	404.12	8.94	-28.23
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012074684	0	36	0.0	-29.93	314.99	9.00	-20.93
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012074685	0	35	0.0	-33.82	308.12	6.73	-27.09
CCCCC1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C2=CC=CC=C2O1	REAL300012074686	0	44	0.0	-27.69	358.07	10.44	-17.25
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012074687	0	42	0.0	-42.83	354.75	11.53	-31.30
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012074688	0	44	0.0	-34.68	378.39	9.28	-25.40
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074689	0	42	0.0	-34.46	350.59	9.01	-25.45
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012074690	0	38	0.0	-34.71	326.53	7.51	-27.20
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300012074691	0	43	0.0	-32.53	370.76	10.86	-21.67
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012074692	0	38	0.0	-38.41	306.25	8.12	-30.29
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012074693	0	36	0.0	-39.97	326.34	7.67	-32.30
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012074694	0	35	0.0	-30.02	322.73	7.58	-22.44
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012074695	0	35	0.0	-30.20	323.14	7.43	-22.77
CC1=CC(Br)=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1OC(F)F	REAL300012074696	0	36	0.0	-31.10	322.48	7.78	-23.32
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012074697	0	26	0.0	-34.93	276.91	7.21	-27.72
CC1=CC=C(SC2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012074698	0	45	0.0	-49.95	391.79	12.05	-37.90
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012074699	0	46	0.0	-49.12	383.40	11.82	-37.30
COC1=CC=C(C2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012074700	0	42	0.0	-34.54	360.15	9.46	-25.08
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012074701	1	36	0.0	-30.24	339.78	9.89	-20.35
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1	REAL300012074702	0	42	0.0	-45.44	367.37	11.21	-34.23
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074703	0	42	0.0	-31.25	366.50	9.52	-21.73
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074704	0	42	0.0	-32.87	383.27	9.88	-22.99
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CS1	REAL300012074705	0	46	0.0	-34.61	387.11	11.06	-23.55
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012074706	0	48	0.0	-38.37	402.62	10.23	-28.14
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074707	0	39	0.0	-36.60	359.28	9.40	-27.20
CC1=NN(CC2=CC=C(Cl)C=C2)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074708	0	42	0.0	-30.76	381.92	10.00	-20.76
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OC(C)C	REAL300012074709	0	43	0.0	-33.20	346.19	7.78	-25.42
CCCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OCC	REAL300012074710	0	46	0.0	-37.46	373.14	8.75	-28.71
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074711	0	42	0.0	-32.03	372.92	9.59	-22.44
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C(Br)=C1	REAL300012074712	0	29	0.0	-30.47	286.59	8.16	-22.31
CCCCCCCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074713	0	51	0.0	-31.73	406.49	11.19	-20.54
CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012074714	0	50	0.0	-30.53	380.62	11.38	-19.15
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Br)C=CS1	REAL300012074715	0	26	0.0	-31.90	257.36	6.51	-25.39
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012074716	0	42	0.0	-33.68	332.21	6.44	-27.24
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012074717	0	29	0.0	-32.84	269.20	7.47	-25.37
CC1=CC=C(C2=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C2)C=C1	REAL300012074718	0	42	0.0	-30.52	341.94	11.08	-19.44
COC1=CC=C(Br)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074719	0	33	0.0	-26.19	292.56	6.91	-19.28
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012074720	0	35	0.0	-41.42	303.39	7.60	-33.82
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074721	0	42	0.0	-29.82	343.68	11.12	-18.70
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012074722	0	35	0.0	-38.54	325.65	8.88	-29.66
CCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OCC	REAL300012074723	0	43	0.0	-37.71	351.64	7.95	-29.76
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012074724	0	32	0.0	-31.66	298.22	8.41	-23.25
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012074725	0	29	0.0	-35.10	266.69	7.37	-27.73
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012074726	0	33	0.0	-37.92	293.86	6.66	-31.26
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074727	0	43	0.0	-31.57	354.54	10.06	-21.51
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012074728	1	39	0.0	-34.23	347.15	9.77	-24.46
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C2=CC=CC=C12	REAL300012074729	0	39	0.0	-30.90	311.57	8.37	-22.53
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(Br)=C1O	REAL300012074730	0	34	0.0	-34.22	298.08	4.60	-29.62
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(Br)=C1	REAL300012074731	0	26	0.0	-29.57	259.31	6.71	-22.86
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012074732	0	46	0.0	-37.35	383.00	8.43	-28.92
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300012074733	0	36	0.0	-30.14	347.38	10.79	-19.35
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300012074734	0	42	0.0	-34.69	369.12	9.12	-25.57
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012074735	0	47	0.0	-33.75	374.43	9.26	-24.49
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012074736	0	39	0.0	-36.34	322.08	10.27	-26.07
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012074737	0	42	0.0	-35.25	352.39	8.61	-26.64
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012074738	0	29	0.0	-36.44	274.87	7.53	-28.91
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012074739	0	38	0.0	-34.24	320.91	8.79	-25.45
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012074740	0	38	0.0	-34.85	315.55	8.64	-26.21
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012074741	0	38	0.0	-39.22	318.60	8.56	-30.66
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074742	0	44	0.0	-33.10	343.17	7.45	-25.65
CN1CCN(C2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2)CC1	REAL300012074743	1	46	0.0	-30.45	355.55	5.70	-24.75
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012074744	0	38	0.0	-35.37	329.06	5.54	-29.83
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012074745	0	36	0.0	-37.01	312.89	8.32	-28.69
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074746	0	42	0.0	-30.67	361.67	9.67	-21.00
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012074747	0	36	0.0	-36.47	323.21	8.77	-27.70
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074748	0	42	0.0	-41.89	358.05	9.18	-32.71
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1	REAL300012074749	0	36	0.0	-35.79	353.03	8.84	-26.95
CC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012074750	0	48	0.0	-33.61	393.48	10.13	-23.48
COC1=CC=CC(COC2=CC=CC(Cl)=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074751	0	47	0.0	-32.75	402.67	9.96	-22.79
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012074752	0	36	0.0	-34.52	317.25	7.69	-26.83
CCOC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012074753	0	50	0.0	-34.04	408.69	11.09	-22.95
CC(C)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012074754	0	40	0.0	-46.48	332.95	9.37	-37.11
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012074755	0	32	0.0	-38.83	295.22	6.14	-32.69
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074756	0	45	0.0	-29.89	367.49	9.57	-20.32
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074757	0	45	0.0	-30.27	381.51	10.01	-20.26
CCOC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OCC(C)C	REAL300012074758	0	49	0.0	-32.91	391.71	9.56	-23.35
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012074759	0	29	0.0	-31.14	273.20	7.63	-23.51
COC1=CC(Br)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074760	0	37	0.0	-26.31	320.44	6.78	-19.53
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012074761	0	29	0.0	-38.30	274.73	7.51	-30.79
COC1=CC2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2C=C1	REAL300012074762	0	39	0.0	-36.74	323.32	8.42	-28.32
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=CS1	REAL300012074763	0	26	0.0	-33.89	259.56	6.59	-27.30
CCCCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OCC	REAL300012074764	0	49	0.0	-38.32	393.31	9.49	-28.83
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074765	0	42	0.0	-34.36	345.34	9.16	-25.20
COC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1OC(F)F	REAL300012074766	0	37	0.0	-36.84	316.17	6.47	-30.37
CCC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074767	0	52	0.0	-33.09	424.85	12.99	-20.10
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012074768	1	33	0.0	-33.97	308.40	7.44	-26.53
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012074769	0	49	0.0	-31.87	384.92	10.25	-21.62
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012074771	0	29	0.0	-31.72	274.66	7.70	-24.02
CC1=CC=C(COC2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2)C=C1	REAL300012074772	0	46	0.0	-38.01	381.86	10.87	-27.14
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012074773	0	44	0.0	-34.95	342.12	8.19	-26.76
CCCCCCOC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074774	0	48	0.0	-37.13	386.54	10.28	-26.85
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1SC	REAL300012074775	0	37	0.0	-37.59	318.10	7.26	-30.33
N#CCCCOC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074776	0	40	0.0	-44.80	342.89	8.45	-36.35
CCCCCOC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OC	REAL300012074777	0	49	0.0	-32.58	391.42	9.48	-23.10
CCC(C)OC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OC	REAL300012074778	0	46	0.0	-33.01	366.93	8.57	-24.44
CCCCCCCOC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074779	0	51	0.0	-32.84	406.50	11.19	-21.65
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OCCCC#N	REAL300012074780	0	44	0.0	-42.67	369.28	8.43	-34.24
C=C(C)COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OC	REAL300012074781	0	44	0.0	-33.43	358.91	8.46	-24.97
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OCCC(C)C	REAL300012074782	0	49	0.0	-32.55	387.49	9.22	-23.33
C=CCC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC(OC)=C1O	REAL300012074783	0	41	0.0	-33.21	341.20	6.15	-27.06
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074784	0	38	0.0	-33.65	325.85	8.00	-25.65
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074785	0	39	0.0	-36.99	345.26	5.38	-31.61
CCOC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012074786	0	43	0.0	-39.69	369.89	8.37	-31.32
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012074788	0	42	0.0	-32.47	341.70	6.17	-26.30
C=CCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1Cl	REAL300012074789	0	37	0.0	-36.02	329.47	8.27	-27.75
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012074790	0	35	0.0	-31.25	312.68	8.06	-23.19
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012074791	0	41	0.0	-36.61	335.62	6.77	-29.84
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012074792	0	32	0.0	-27.12	304.12	6.86	-20.26
CC1=CC=CC(C2=NNC=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074793	0	39	0.0	-32.74	322.13	7.42	-25.32
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012074794	0	32	0.0	-32.10	303.44	8.57	-23.53
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300012074795	0	32	0.0	-32.15	308.00	8.67	-23.48
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012074796	0	29	0.0	-31.76	280.70	8.10	-23.66
CC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(Br)=C1	REAL300012074797	0	32	0.0	-32.80	281.70	7.97	-24.83
CC(C)COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074798	0	42	0.0	-36.12	342.14	8.63	-27.49
COCCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074799	0	40	0.0	-34.42	332.63	6.54	-27.88
CC(C)(C)N1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC=CC=C2Cl)=N1	REAL300012074800	0	48	0.0	-34.67	392.99	10.93	-23.74
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074801	0	44	0.0	-33.98	375.07	10.70	-23.28
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012074802	0	33	0.0	-38.10	304.47	7.03	-31.07
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012074803	0	37	0.0	-33.12	340.69	8.50	-24.62
CN1N=C(C2=CC=CC=C2)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1Cl	REAL300012074804	0	39	0.0	-30.47	342.60	8.35	-22.12
COC1=CC2=C(C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-])OCO2	REAL300012074805	0	36	0.0	-32.91	301.81	5.06	-27.85
CC(C)COC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074806	0	42	0.0	-32.75	340.61	8.76	-23.99
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN=CC(Br)=C1	REAL300012074807	0	28	0.0	-32.10	262.49	5.82	-26.28
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012074808	0	34	0.0	-35.13	304.94	7.30	-27.83
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012074809	0	39	0.0	-28.37	325.32	8.14	-20.23
CC1=C(Br)SC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074810	0	29	0.0	-32.70	280.68	7.34	-25.36
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012074811	0	34	0.0	-33.84	305.96	8.09	-25.75
COC1=CC=C(OC2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2)C=C1	REAL300012074812	0	44	0.0	-38.36	366.05	9.01	-29.35
CC1=CC(C)=CC(C2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2)=C1	REAL300012074813	0	45	0.0	-32.10	364.67	11.78	-20.32
CC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012074814	0	38	0.0	-43.39	316.81	10.32	-33.07
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012074815	0	36	0.0	-36.87	310.69	7.54	-29.33
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074816	0	39	0.0	-34.86	343.61	9.31	-25.55
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012074817	0	43	0.0	-34.56	364.01	10.35	-24.21
CCCCOC1=CC=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074818	0	42	0.0	-34.79	342.18	8.79	-26.00
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012074819	0	40	0.0	-37.56	349.78	11.01	-26.55
CC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012074820	0	39	0.0	-34.81	324.84	7.73	-27.08
COC1=CC(C)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074821	0	40	0.0	-30.99	316.16	6.68	-24.31
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1	REAL300012074822	0	35	0.0	-34.19	338.35	9.20	-24.99
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074823	0	35	0.0	-42.89	312.39	7.77	-35.12
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074824	1	35	0.0	-30.41	307.35	4.87	-25.54
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074825	0	38	0.0	-49.48	332.08	6.36	-43.12
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012074826	0	33	0.0	-28.86	294.55	5.88	-22.98
CC(C)SC1=CC(Br)=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074827	0	39	0.0	-33.81	342.57	9.81	-24.00
CSC1=CC(Br)=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074828	0	33	0.0	-30.35	303.15	8.55	-21.80
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012074829	0	39	0.0	-32.90	336.99	8.73	-24.17
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)F)C(Br)=C1	REAL300012074831	0	33	0.0	-37.81	308.86	7.14	-30.67
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012074832	0	42	0.0	-38.65	372.16	9.58	-29.07
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074833	0	43	0.0	-32.78	349.89	9.83	-22.95
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074834	0	43	0.0	-34.95	350.12	9.64	-25.31
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074835	0	42	0.0	-37.89	345.31	7.89	-30.00
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012074836	0	40	0.0	-31.81	354.70	10.39	-21.42
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1N1CCOCC1	REAL300012074837	0	42	0.0	-35.26	353.65	7.05	-28.21
COC1=CC(Cl)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1Cl	REAL300012074838	0	33	0.0	-34.47	306.45	7.18	-27.29
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012074839	0	32	0.0	-29.98	303.23	7.09	-22.89
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012074840	0	32	0.0	-34.55	304.02	6.84	-27.71
CC1=CC=C(C2=NC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])S2)O1	REAL300012074841	0	35	0.0	-31.00	316.04	6.92	-24.08
CC1=CC(Br)=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074842	0	32	0.0	-33.85	281.97	8.04	-25.81
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012074843	0	29	0.0	-35.86	285.31	7.98	-27.88
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012074844	0	36	0.0	-37.46	302.24	7.08	-30.38
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012074845	0	38	0.0	-42.08	324.13	8.58	-33.50
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=NC=C(Br)C=C1Br	REAL300012074846	0	28	0.0	-25.38	280.52	6.28	-19.10
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012074847	0	32	0.0	-26.96	290.43	7.96	-19.00
COCCOC1=CC=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074848	0	40	0.0	-36.46	331.49	6.42	-30.04
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012074849	0	29	0.0	-30.99	277.97	8.04	-22.95
COC1=C(Br)C=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074850	0	33	0.0	-32.25	297.62	7.10	-25.15
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012074851	0	36	0.0	-32.80	304.57	7.15	-25.65
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012074852	0	43	0.0	-33.62	357.80	9.63	-23.99
COC1=CC(Br)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(OC)=C1	REAL300012074853	0	37	0.0	-29.50	323.57	6.01	-23.49
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012074854	0	40	0.0	-31.25	350.98	10.22	-21.03
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012074855	0	44	0.0	-33.37	370.13	8.26	-25.11
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074856	0	39	0.0	-34.82	348.18	9.41	-25.41
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074857	0	48	0.0	-34.61	371.23	10.25	-24.36
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012074858	1	36	0.0	-33.86	314.51	8.82	-25.04
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(Br)=C1	REAL300012074859	0	29	0.0	-32.97	268.94	7.66	-25.31
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1	REAL300012074860	0	46	0.0	-29.64	387.82	11.62	-18.02
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012074861	0	39	0.0	-38.32	344.50	9.18	-29.14
CCN(CC)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074862	0	43	0.0	-29.30	341.46	9.30	-20.00
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1	REAL300012074863	0	29	0.0	-30.93	267.62	7.62	-23.31
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC(OC)=C1OC	REAL300012074864	0	41	0.0	-39.55	339.77	5.98	-33.57
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012074865	0	42	0.0	-35.89	331.87	5.70	-30.19
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074866	0	50	0.0	-35.30	397.92	11.99	-23.31
CCCCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074867	0	42	0.0	-31.29	340.68	8.80	-22.49
CC(C)CCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074868	0	45	0.0	-36.20	361.10	9.24	-26.96
CCCCCCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074869	0	48	0.0	-35.76	385.21	10.24	-25.52
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012074870	0	40	0.0	-35.00	339.60	9.83	-25.17
CCCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(OCCC)=C1	REAL300012074871	0	49	0.0	-32.18	391.96	9.16	-23.02
CCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074872	0	40	0.0	-33.48	328.25	7.16	-26.32
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(OC)=C1OC	REAL300012074873	0	41	0.0	-34.90	339.58	6.24	-28.66
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012074874	0	47	0.0	-34.73	388.16	10.21	-24.52
COC1=CC=C(Br)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074875	0	33	0.0	-34.00	298.62	6.89	-27.11
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC(Br)=C1O	REAL300012074876	0	34	0.0	-39.39	308.53	4.64	-34.75
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012074877	0	39	0.0	-36.46	323.39	10.32	-26.14
COC1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012074878	0	39	0.0	-30.61	314.89	8.26	-22.35
COC1=CC(OC)=C(OC)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074879	0	41	0.0	-37.69	336.03	5.48	-32.21
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1	REAL300012074880	0	51	0.0	-37.16	420.53	14.03	-23.13
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074881	0	39	0.0	-32.88	341.02	9.02	-23.86
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012074882	0	43	0.0	-38.29	359.13	10.16	-28.13
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1Br	REAL300012074883	0	29	0.0	-24.41	263.07	7.62	-16.79
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300012074884	0	36	0.0	-36.41	327.77	8.88	-27.53
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012074885	0	32	0.0	-34.42	288.56	6.17	-28.25
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1I	REAL300012074886	0	29	0.0	-23.49	268.36	8.06	-15.43
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012074887	0	37	0.0	-37.73	324.98	6.08	-31.65
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012074888	0	46	0.0	-33.69	369.34	10.24	-23.45
CN(CCC#N)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074889	0	41	0.0	-34.53	340.50	8.85	-25.68
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012074890	0	39	0.0	-31.74	324.62	8.53	-23.21
CCOC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1OC	REAL300012074891	0	40	0.0	-29.51	329.58	7.14	-22.37
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OCC(N)=O	REAL300012074892	0	41	0.0	-45.21	343.66	4.16	-41.05
CCNC(=O)COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074893	0	47	0.0	-46.43	389.93	6.35	-40.08
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC2=C1OCO2	REAL300012074894	0	36	0.0	-38.82	303.44	4.81	-34.01
COC1=CC2=C(C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-])OC(C)C2	REAL300012074895	0	41	0.0	-34.33	333.08	6.81	-27.52
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012074896	0	45	0.0	-42.83	376.82	3.96	-38.87
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012074897	0	41	0.0	-42.88	363.62	4.81	-38.07
CCN(C(C)=O)C1=NC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CS1	REAL300012074898	1	38	0.0	-31.12	325.42	6.87	-24.25
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(I)=C1	REAL300012074899	0	29	0.0	-32.74	275.42	8.13	-24.61
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(I)C=C1	REAL300012074900	0	29	0.0	-30.73	274.10	8.10	-22.63
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=CC(Br)=C1	REAL300012074901	0	29	0.0	-35.42	290.45	8.09	-27.33
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012074902	0	39	0.0	-33.25	343.10	7.75	-25.50
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074903	0	42	0.0	-32.45	335.61	10.60	-21.85
CS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074904	0	35	0.0	-43.17	308.56	4.39	-38.78
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012074905	0	39	0.0	-31.91	337.26	10.93	-20.98
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012074906	0	42	0.0	-38.61	351.90	8.45	-30.16
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=N1	REAL300012074907	0	28	0.0	-31.24	265.47	5.68	-25.56
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012074908	0	38	0.0	-31.90	321.32	4.35	-27.55
CC(=O)N(C1=NC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300012074909	1	42	0.0	-33.06	374.28	9.23	-23.83
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012074910	0	32	0.0	-28.26	291.35	8.05	-20.21
CC1=CC=CN2C=C(COC3=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C3)N=C12	REAL300012074911	0	49	0.0	-37.50	406.25	11.45	-26.05
CCOCC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OC	REAL300012074912	0	43	0.0	-29.29	351.24	7.25	-22.04
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012074913	0	32	0.0	-34.25	286.39	6.40	-27.85
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012074914	0	38	0.0	-29.47	337.22	6.46	-23.01
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Br	REAL300012074915	0	32	0.0	-29.34	302.03	8.44	-20.90
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1C(F)(F)F	REAL300012074916	0	32	0.0	-40.40	297.73	8.55	-31.85
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012074917	0	29	0.0	-28.05	271.04	7.56	-20.49
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC=C1Br	REAL300012074918	0	26	0.0	-30.00	255.42	6.55	-23.45
CC(C)COC1=CC=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074919	0	42	0.0	-34.28	340.79	8.70	-25.58
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012074920	0	29	0.0	-36.25	275.57	7.55	-28.70
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012074921	0	29	0.0	-37.71	268.54	7.45	-30.26
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012074922	0	29	0.0	-36.16	272.49	7.64	-28.52
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C)=C1OC	REAL300012074923	0	40	0.0	-33.01	316.43	6.76	-26.25
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012074924	0	26	0.0	-37.24	270.15	6.91	-30.33
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012074925	0	28	0.0	-32.47	272.40	5.40	-27.07
CS(=O)(=O)C1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074926	0	35	0.0	-44.46	308.56	4.38	-40.08
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074927	0	39	0.0	-36.56	323.09	8.53	-28.03
CC1=NC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])N1C1=CC=CC=C1	REAL300012074928	0	39	0.0	-32.40	326.90	9.13	-23.27
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC2=CC=CC=C21	REAL300012074929	0	39	0.0	-36.94	322.33	8.47	-28.47
COC1=CC=CC2=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=CC=C12	REAL300012074930	0	39	0.0	-31.89	313.65	8.45	-23.44
CC1=CC=CC=C1N1N=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074931	0	39	0.0	-28.43	321.90	8.89	-19.54
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012074932	0	28	0.0	-33.49	273.00	5.35	-28.14
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012074933	0	36	0.0	-33.31	310.24	5.30	-28.01
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(Br)=C1	REAL300012074934	0	33	0.0	-31.93	290.71	6.82	-25.11
CC1=CC(Br)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])S1	REAL300012074935	0	29	0.0	-31.37	279.22	7.31	-24.06
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074936	0	44	0.0	-37.74	356.02	9.70	-28.04
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074937	0	39	0.0	-24.50	333.35	9.63	-14.87
CN1C(=O)CCC2=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C21	REAL300012074938	0	40	0.0	-41.53	325.04	7.80	-33.73
COC1=CC=CC(SC2=CC=CC=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074939	0	44	0.0	-35.09	369.08	10.22	-24.87
CC1=CC=C(OC(F)F)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074940	0	36	0.0	-31.46	306.96	7.35	-24.11
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012074941	0	35	0.0	-31.15	329.40	8.58	-22.57
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012074942	0	35	0.0	-34.28	315.86	8.26	-26.02
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074943	0	46	0.0	-34.97	374.80	10.41	-24.56
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012074944	0	40	0.0	-33.79	346.27	9.25	-24.54
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012074945	0	44	0.0	-38.22	373.10	7.36	-30.86
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012074946	0	34	0.0	-37.87	300.89	7.74	-30.13
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012074947	0	38	0.0	-33.92	319.76	7.49	-26.43
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012074948	0	35	0.0	-36.75	321.05	8.11	-28.64
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012074949	0	32	0.0	-36.01	296.98	6.01	-30.00
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012074950	0	29	0.0	-30.63	282.46	8.07	-22.56
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012074951	0	41	0.0	-31.77	357.24	9.55	-22.22
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)(F)F)C(Br)=C1	REAL300012074952	0	33	0.0	-31.47	312.74	7.46	-24.01
CN1C=C(C2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2)C=N1	REAL300012074953	0	39	0.0	-35.62	326.45	8.29	-27.33
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012074954	0	40	0.0	-38.85	344.28	9.83	-29.02
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012074955	0	39	0.0	-32.29	333.34	8.10	-24.19
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012074956	0	40	0.0	-33.67	347.92	8.58	-25.09
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=N1	REAL300012074957	0	43	0.0	-33.99	356.02	9.47	-24.52
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012074958	0	36	0.0	-36.59	311.91	5.09	-31.50
CC1=CC=CC=C1N1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])N=N1	REAL300012074959	0	38	0.0	-29.21	320.39	7.73	-21.48
CN1N=C(Br)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074960	0	29	0.0	-38.62	270.29	4.97	-33.65
CN1C=C(C2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])S2)C=N1	REAL300012074961	0	36	0.0	-36.62	321.82	7.55	-29.07
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012074962	0	41	0.0	-35.05	325.40	7.89	-27.16
CCOC1=C(Cl)C=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074963	0	36	0.0	-30.17	310.07	7.79	-22.38
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012074964	0	29	0.0	-25.79	279.17	7.98	-17.81
COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074965	0	40	0.0	-30.41	331.90	7.37	-23.04
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012074966	0	33	0.0	-28.44	297.61	6.92	-21.52
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012074967	0	36	0.0	-32.63	311.76	7.87	-24.76
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2Br)C=C1	REAL300012074968	0	39	0.0	-30.68	342.93	11.05	-19.63
CC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012074969	0	42	0.0	-31.96	347.30	8.75	-23.21
CC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012074970	0	42	0.0	-25.58	341.77	8.55	-17.03
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012074971	0	39	0.0	-41.72	345.40	9.08	-32.64
CC1=CC(Br)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1Cl	REAL300012074972	0	32	0.0	-28.19	296.76	8.62	-19.57
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012074973	0	39	0.0	-30.23	345.66	8.97	-21.26
N#CCCN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012074974	0	42	0.0	-41.33	363.44	7.78	-33.55
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012074975	0	35	0.0	-29.02	306.12	10.43	-18.59
COC(=O)C1=C(C)N(C)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012074976	0	39	0.0	-37.18	324.39	7.51	-29.67
COCCOCC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012074977	0	43	0.0	-33.16	358.19	7.00	-26.16
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012074978	0	29	0.0	-36.12	264.13	6.76	-29.36
CC1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012074979	0	35	0.0	-31.35	318.09	9.44	-21.91
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012074980	0	43	0.0	-44.94	371.29	9.27	-35.67
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(F)C=C1I	REAL300012074981	0	29	0.0	-34.03	272.27	7.83	-26.20
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012074982	0	32	0.0	-33.52	287.25	6.14	-27.38
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])O1	REAL300012074983	0	39	0.0	-34.65	325.38	7.83	-26.82
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012074984	0	28	0.0	-28.82	276.11	6.09	-22.73
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(OC(F)F)=CC=C1Br	REAL300012074985	0	33	0.0	-26.93	302.32	7.19	-19.74
CC1=CC=C(C2=NC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])S2)C=C1C	REAL300012074986	0	41	0.0	-35.30	352.57	9.13	-26.17
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074987	0	39	0.0	-39.18	331.28	8.94	-30.24
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074988	0	39	0.0	-35.75	341.16	9.57	-26.18
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074989	0	39	0.0	-40.04	339.07	9.29	-30.75
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074990	0	42	0.0	-37.78	346.98	9.32	-28.46
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074991	0	39	0.0	-36.84	347.35	9.45	-27.39
COC1=CC(OC)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1F	REAL300012074992	0	37	0.0	-37.06	313.05	5.65	-31.41
COC1=CC(F)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012074993	0	37	0.0	-28.27	309.54	6.24	-22.03
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300012074994	0	43	0.0	-37.30	370.58	10.42	-26.88
CC(C)(C)SC1=C(Br)C=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074995	0	42	0.0	-32.40	345.79	9.86	-22.54
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012074996	0	42	0.0	-34.14	345.51	9.44	-24.70
CCCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C)=C1	REAL300012074997	0	42	0.0	-33.44	331.82	8.38	-25.06
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012074998	0	32	0.0	-33.63	297.03	8.01	-25.62
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012074999	0	37	0.0	-41.79	313.78	7.86	-33.93
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012075000	0	33	0.0	-32.93	290.67	6.70	-26.23
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012075001	0	33	0.0	-30.46	290.63	6.71	-23.75
CN1C=C(C2=NN(C)C=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])C=N1	REAL300012075002	0	39	0.0	-37.63	329.67	5.95	-31.68
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2C1	REAL300012075003	0	53	0.0	-39.43	413.77	10.04	-29.39
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012075004	0	35	0.0	-34.13	329.62	8.41	-25.72
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012075005	0	29	0.0	-39.49	279.79	7.05	-32.44
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012075006	0	29	0.0	-24.53	267.96	7.09	-17.44
CN(C)C1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=CC(F)=C1F	REAL300012075007	0	37	0.0	-39.38	309.41	6.96	-32.42
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C(Br)S1	REAL300012075008	0	33	0.0	-36.92	304.75	6.43	-30.49
CC(C)OC1=CC(Cl)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1Cl	REAL300012075009	0	39	0.0	-29.48	342.05	8.77	-20.71
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012075010	0	41	0.0	-37.32	333.21	6.51	-30.81
CN(C)C1=CC(F)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1F	REAL300012075011	0	37	0.0	-32.49	313.20	6.46	-26.03
COC(=O)C1=C2CCCCN2C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075012	0	43	0.0	-36.68	348.04	8.73	-27.95
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012075013	0	36	0.0	-31.53	314.89	7.32	-24.21
C=CCOC1=C(Cl)C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012075014	0	41	0.0	-35.12	359.79	8.36	-26.76
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC1CC1	REAL300012075015	0	41	0.0	-38.99	337.65	7.73	-31.26
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1I	REAL300012075016	0	29	0.0	-27.02	281.07	8.40	-18.62
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075017	0	32	0.0	-36.40	289.74	5.64	-30.76
COCC(C)OC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012075018	0	43	0.0	-31.91	347.91	7.20	-24.71
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300012075019	0	46	0.0	-40.69	385.55	8.68	-32.01
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300012075020	0	43	0.0	-32.55	367.49	10.52	-22.03
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012075021	0	36	0.0	-37.06	316.55	9.53	-27.53
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012075022	0	42	0.0	-31.71	343.92	9.21	-22.50
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(C(F)(F)F)=C(Br)C=C1F	REAL300012075023	0	32	0.0	-34.12	309.17	8.44	-25.68
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012075024	0	36	0.0	-39.77	317.87	7.55	-32.22
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300012075025	0	38	0.0	-37.50	341.67	9.30	-28.20
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1C(C)(C)C	REAL300012075026	0	45	0.0	-29.87	347.00	8.98	-20.89
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075027	0	37	0.0	-31.00	322.00	6.13	-24.87
CC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=NC=C1Br	REAL300012075028	0	31	0.0	-30.38	282.68	6.22	-24.16
CC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C(Br)C=C1F	REAL300012075029	0	32	0.0	-27.14	289.98	8.15	-18.99
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012075030	0	30	0.0	-25.17	274.09	4.69	-20.48
CN1C=C(C2=NC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CS2)C=N1	REAL300012075031	0	35	0.0	-34.38	318.69	5.50	-28.88
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012075032	0	35	0.0	-34.44	308.50	6.80	-27.64
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012075033	0	35	0.0	-31.06	293.88	8.51	-22.55
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(Br)=N1	REAL300012075034	0	29	0.0	-30.89	272.63	5.19	-25.70
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012075035	0	28	0.0	-27.98	267.98	5.79	-22.19
COC1=CC(Cl)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012075036	0	37	0.0	-26.90	316.86	6.66	-20.24
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012075037	0	35	0.0	-37.51	310.17	8.69	-28.82
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075038	0	49	0.0	-37.72	395.76	7.31	-30.41
CCOC(=O)C1=C(C)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C(C)N1	REAL300012075039	0	42	0.0	-33.50	346.77	7.21	-26.29
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(F)C=CC(C(F)(F)F)=C1Br	REAL300012075040	0	32	0.0	-27.48	305.24	8.42	-19.06
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012075041	0	39	0.0	-38.89	342.23	10.88	-28.01
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012075042	0	29	0.0	-31.67	279.23	7.59	-24.08
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Br)SC=C1	REAL300012075043	0	26	0.0	-27.64	257.14	6.57	-21.07
CCOC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C(F)C=C1OC	REAL300012075044	0	40	0.0	-28.07	331.39	7.16	-20.91
COC1=NC=C(Br)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075045	0	32	0.0	-31.09	293.43	4.36	-26.73
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CN=C1Br	REAL300012075046	0	28	0.0	-25.64	256.84	5.69	-19.95
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O	REAL300012075047	0	43	0.0	-40.51	362.72	7.37	-33.14
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C(F)C=C1Br	REAL300012075048	0	33	0.0	-31.22	302.26	6.86	-24.36
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012075049	0	29	0.0	-32.89	276.18	7.93	-24.96
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012075050	0	33	0.0	-40.82	298.94	6.79	-34.03
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075051	0	39	0.0	-29.52	320.66	7.98	-21.54
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012075052	0	43	0.0	-46.27	345.19	7.92	-38.35
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012075053	0	33	0.0	-39.16	294.00	6.50	-32.66
CC(C)(C)OC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075054	0	42	0.0	-37.33	329.58	8.05	-29.28
CC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C)=C1Br	REAL300012075055	0	35	0.0	-34.07	295.27	8.45	-25.62
CC1=CC=NC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1Br	REAL300012075056	0	31	0.0	-30.21	279.27	6.12	-24.09
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012075057	0	46	0.0	-36.06	368.40	7.24	-28.82
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012075058	0	39	0.0	-38.66	340.28	8.16	-30.50
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012075060	1	30	0.0	-33.60	282.92	4.95	-28.65
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1	REAL300012075061	0	39	0.0	-32.55	353.96	8.76	-23.79
CN1N=C2CCSCC2=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075062	0	37	0.0	-34.07	311.32	6.50	-27.57
CCN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012075063	0	42	0.0	-28.13	346.84	9.01	-19.12
COCC1=C(C)C=C(C)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1C	REAL300012075064	0	45	0.0	-33.17	344.77	7.95	-25.22
CC1=CC(OC2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300012075065	0	43	0.0	-31.35	373.84	10.99	-20.36
CCC1=CC=CC=C1OC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(Cl)=C1	REAL300012075066	0	46	0.0	-35.25	388.62	11.53	-23.72
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012075067	0	40	0.0	-30.70	357.21	10.47	-20.23
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075068	0	43	0.0	-29.44	375.05	11.07	-18.37
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1F	REAL300012075069	0	43	0.0	-33.04	378.24	11.12	-21.92
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(F)=C1	REAL300012075070	0	40	0.0	-34.59	363.32	10.31	-24.28
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075071	0	43	0.0	-38.12	373.48	10.99	-27.13
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1	REAL300012075072	0	40	0.0	-32.20	357.92	10.50	-21.70
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075073	0	46	0.0	-30.61	391.04	11.80	-18.81
CC1=C(Br)C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])S1	REAL300012075074	0	29	0.0	-33.86	281.77	7.41	-26.45
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012075075	0	39	0.0	-36.22	338.80	10.79	-25.43
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(F)=C1I	REAL300012075076	0	29	0.0	-35.96	271.45	7.80	-28.16
CCCOC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1C	REAL300012075077	0	42	0.0	-35.28	342.12	8.68	-26.60
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012075078	0	47	0.0	-30.56	385.59	9.77	-20.79
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012075079	0	43	0.0	-32.33	359.87	8.02	-24.31
CC1=CC=C(Br)C(F)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075080	0	32	0.0	-29.56	291.86	8.05	-21.51
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OC1=CC=C(Cl)C(Cl)=C1	REAL300012075081	0	40	0.0	-30.18	366.52	10.88	-19.30
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C)=C1	REAL300012075082	0	46	0.0	-34.71	392.90	11.75	-22.96
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075083	0	37	0.0	-36.52	303.94	8.60	-27.92
COC1=CC=C(CN2C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])N=N2)C=C1	REAL300012075084	0	42	0.0	-37.06	356.85	6.54	-30.52
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(F)=C1OC	REAL300012075085	0	37	0.0	-39.94	315.69	6.37	-33.57
COC(=O)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(F)=C1	REAL300012075086	0	35	0.0	-40.23	307.99	7.72	-32.51
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012075087	0	39	0.0	-40.48	334.51	7.24	-33.24
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012075088	0	43	0.0	-34.78	359.13	10.14	-24.64
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012075089	0	36	0.0	-40.62	312.20	7.53	-33.09
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=C(Br)S1	REAL300012075090	0	26	0.0	-34.75	281.26	7.32	-27.43
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012075091	0	40	0.0	-29.79	361.78	10.42	-19.37
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1	REAL300012075092	0	40	0.0	-36.52	357.47	10.06	-26.46
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012075093	0	40	0.0	-29.04	366.12	10.85	-18.19
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075094	0	47	0.0	-34.80	384.72	10.39	-24.41
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012075095	0	40	0.0	-29.88	356.29	10.39	-19.49
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC(Cl)=C1	REAL300012075096	0	40	0.0	-35.64	370.38	10.85	-24.79
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012075097	0	40	0.0	-30.87	365.37	10.66	-20.21
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012075098	0	44	0.0	-36.56	382.79	10.86	-25.70
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075099	0	45	0.0	-32.09	360.82	9.97	-22.12
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012075100	0	35	0.0	-31.00	329.44	8.17	-22.83
COC1=CC=C(C2=NC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CS2)C=C1	REAL300012075101	0	39	0.0	-31.71	342.15	6.97	-24.74
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075103	0	37	0.0	-39.10	323.58	3.62	-35.48
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075104	0	29	0.0	-31.36	281.70	6.18	-25.18
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075105	0	49	0.0	-34.40	369.63	8.97	-25.43
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1	REAL300012075106	0	43	0.0	-43.17	377.14	10.26	-32.91
CC1=NN2C(=NC(C)=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])S1	REAL300012075107	0	34	0.0	-39.37	303.10	6.06	-33.31
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])S1	REAL300012075108	0	40	0.0	-35.71	343.97	7.51	-28.20
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012075109	0	34	0.0	-29.83	299.72	7.73	-22.10
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012075110	0	29	0.0	-29.25	277.19	7.30	-21.95
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012075111	0	46	0.0	-39.92	383.39	7.77	-32.15
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012075112	0	31	0.0	-32.52	299.29	7.06	-25.46
CN(C)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012075113	0	40	0.0	-39.45	327.12	8.33	-31.12
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075114	0	39	0.0	-41.36	329.59	9.49	-31.87
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075115	0	38	0.0	-29.13	338.85	8.65	-20.48
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012075116	0	48	0.0	-36.42	386.23	10.42	-26.00
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012075117	0	32	0.0	-26.82	306.24	8.34	-18.48
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1	REAL300012075118	0	35	0.0	-31.63	316.67	7.52	-24.11
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012075119	0	32	0.0	-28.72	295.94	8.16	-20.56
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075120	0	40	0.0	-38.63	335.82	8.31	-30.32
COCC1=CC=CC=C1C=C(C)C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075121	0	43	0.0	-38.26	347.70	8.51	-29.75
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075122	0	39	0.0	-25.85	320.30	7.88	-17.97
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012075123	0	38	0.0	-33.41	317.00	8.57	-24.84
COC1=CC=C(N2C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=N2)C=C1	REAL300012075124	0	40	0.0	-41.53	336.18	7.38	-34.15
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012075125	0	44	0.0	-31.12	366.31	10.36	-20.76
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012075126	0	31	0.0	-34.47	287.28	4.84	-29.63
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(N2CCCCC2)C(Br)=C1	REAL300012075127	0	44	0.0	-37.35	365.40	9.33	-28.02
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=NC=C1Br	REAL300012075128	0	28	0.0	-31.44	254.68	5.68	-25.76
CS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])S1	REAL300012075129	0	32	0.0	-39.88	300.95	3.55	-36.33
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012075130	0	49	0.0	-28.43	389.96	10.95	-17.48
NS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(F)=C1	REAL300012075131	0	34	0.0	-46.37	308.93	1.89	-44.48
CC1=C(Br)C=NC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075132	0	31	0.0	-30.44	275.38	6.30	-24.14
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075133	0	32	0.0	-28.77	284.53	5.43	-23.34
COC1=CC=C(C2=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300012075134	0	45	0.0	-36.19	380.24	6.03	-30.16
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012075135	0	40	0.0	-33.67	321.98	5.61	-28.06
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21	REAL300012075136	0	43	0.0	-29.61	366.65	10.17	-19.44
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012075137	0	39	0.0	-35.90	322.32	4.32	-31.58
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012075138	0	49	0.0	-34.07	387.68	5.90	-28.17
CC(C)(C)OC(=O)NC(C[NH2+][C@H](CC(F)F)C(=O)[O-])CC(F)F	REAL300012075139	0	45	0.0	-37.23	358.09	5.70	-31.53
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012075140	0	39	0.0	-35.37	324.19	4.49	-30.88
NS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012075141	0	34	0.0	-43.89	303.36	1.87	-42.02
CN1C=CC(C2=NC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CS2)=N1	REAL300012075142	0	35	0.0	-31.31	317.26	5.51	-25.80
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2CCCC2)=N1	REAL300012075143	0	42	0.0	-36.70	334.17	7.72	-28.98
CC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1Br	REAL300012075144	0	32	0.0	-32.84	278.53	7.88	-24.96
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012075145	0	40	0.0	-31.03	342.78	9.95	-21.08
CN(C)C(=O)C1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075146	0	39	0.0	-47.11	320.02	6.72	-40.39
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012075147	0	44	0.0	-31.72	340.93	8.88	-22.84
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012075148	1	28	0.0	-27.72	273.30	5.14	-22.58
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=CC=C1Br	REAL300012075149	0	29	0.0	-31.59	281.57	7.92	-23.67
COC(=O)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1C	REAL300012075150	0	38	0.0	-33.60	317.16	8.19	-25.41
CC1=C(Cl)C=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1Cl	REAL300012075151	0	32	0.0	-31.53	292.25	8.49	-23.04
CC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C(C)C=C1I	REAL300012075152	0	35	0.0	-28.53	304.17	9.08	-19.45
N#CC1=CC=C(Br)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075153	0	30	0.0	-30.00	283.88	8.01	-21.99
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075154	0	42	0.0	-38.52	348.65	8.55	-29.97
COC(=O)COC1=CC=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075155	0	39	0.0	-42.29	332.09	7.82	-34.47
CN(C)C(=O)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012075156	0	39	0.0	-45.80	318.69	6.71	-39.09
CCNC(=O)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012075157	0	39	0.0	-44.33	325.82	5.99	-38.34
COC1=CC=C2SC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC2=C1	REAL300012075158	0	36	0.0	-34.35	314.79	7.69	-26.66
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012075159	0	45	0.0	-40.24	358.90	8.76	-31.48
CCN(C)C(=O)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012075160	0	42	0.0	-40.63	340.52	7.90	-32.73
CSC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1Cl	REAL300012075161	0	33	0.0	-35.30	303.09	8.33	-26.97
CC1=NN(C2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C)=C2)C=C1	REAL300012075162	0	42	0.0	-35.66	337.74	9.27	-26.39
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012075163	0	35	0.0	-32.82	318.85	8.92	-23.90
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075164	0	39	0.0	-38.53	334.51	9.04	-29.49
CCC1=CC(Br)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])S1	REAL300012075165	0	32	0.0	-31.76	302.22	8.14	-23.62
CC1=NN(C2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2)C=C1Cl	REAL300012075166	0	39	0.0	-41.44	344.77	9.15	-32.29
COC(=O)C1=CC2=C(C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])O2)N1	REAL300012075167	0	36	0.0	-36.92	317.77	5.70	-31.22
CC(C)(C[NH2+][C@H](CC(F)F)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012075168	0	38	0.0	-37.32	318.54	9.24	-28.08
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012075169	0	29	0.0	-30.79	284.35	8.11	-22.68
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C)=C1	REAL300012075170	0	45	0.0	-27.89	355.39	11.39	-16.50
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012075172	0	49	0.0	-38.80	395.76	7.32	-31.48
COC(=O)C1=C2COCCN2C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075173	0	41	0.0	-42.49	342.58	6.26	-36.23
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012075174	0	46	0.0	-45.31	362.66	8.80	-36.51
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075175	0	39	0.0	-38.61	316.24	9.69	-28.92
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012075176	0	32	0.0	-27.21	309.80	8.88	-18.33
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012075177	0	33	0.0	-38.67	301.54	6.25	-32.42
NS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(Br)=C1	REAL300012075178	0	34	0.0	-42.36	316.99	2.37	-39.99
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012075180	0	29	0.0	-25.32	278.28	7.91	-17.41
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012075181	0	29	0.0	-27.38	277.10	7.69	-19.69
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012075182	0	38	0.0	-30.99	325.80	7.38	-23.61
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H](CC(F)F)C(=O)[O-])CC1	REAL300012075183	0	49	0.0	-35.07	370.04	8.02	-27.05
CC1=CC(Br)=CN=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075184	0	31	0.0	-25.06	276.84	6.29	-18.77
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012075185	0	35	0.0	-43.50	321.74	4.78	-38.72
CC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OC(F)F	REAL300012075186	0	36	0.0	-34.50	305.66	7.32	-27.18
CC1=NC(Cl)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1Br	REAL300012075187	0	31	0.0	-25.87	294.30	6.79	-19.08
CN1N=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1S(C)(=O)=O	REAL300012075188	1	35	0.0	-39.31	293.25	2.95	-36.36
CCOC1=CC(Br)=CC(F)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075189	0	36	0.0	-28.25	322.95	7.92	-20.33
CC1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])NN=C1C(F)(F)F	REAL300012075190	0	32	0.0	-37.52	282.51	4.70	-32.82
CS(=O)(=O)C1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=CS1	REAL300012075191	1	32	0.0	-43.48	291.65	3.87	-39.61
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2)O1	REAL300012075192	0	46	0.0	-38.09	395.21	9.19	-28.90
CC1=C(Br)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C(C)S1	REAL300012075193	0	32	0.0	-26.47	293.99	7.75	-18.72
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012075194	0	39	0.0	-35.44	329.25	8.09	-27.35
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012075195	0	33	0.0	-37.87	299.42	6.67	-31.20
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012075196	0	35	0.0	-39.17	319.06	8.74	-30.43
CC1=NC=CN1C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C)=C1	REAL300012075197	0	42	0.0	-39.53	342.51	9.89	-29.64
CC1=C(C)N(C2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2)C=N1	REAL300012075198	0	42	0.0	-41.43	348.70	10.60	-30.83
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012075199	0	43	0.0	-33.40	342.82	10.89	-22.51
CCNC(=O)C1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075201	0	39	0.0	-42.00	325.61	6.15	-35.85
CC1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012075202	0	35	0.0	-28.45	300.16	8.19	-20.26
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075203	0	39	0.0	-38.39	327.93	7.99	-30.40
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012075204	0	32	0.0	-34.52	307.01	9.01	-25.51
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC=CC=C2Br)=N1	REAL300012075205	0	39	0.0	-37.03	337.10	9.08	-27.95
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012075206	0	32	0.0	-36.30	291.46	5.97	-30.33
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012075207	0	39	0.0	-29.65	319.83	8.99	-20.66
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1	REAL300012075208	0	36	0.0	-31.64	321.04	7.33	-24.31
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012075209	0	32	0.0	-39.56	279.77	5.70	-33.86
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075210	0	42	0.0	-38.35	358.84	9.73	-28.62
CCOC1=CC=C(Cl)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075211	0	36	0.0	-30.03	314.37	7.85	-22.18
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1	REAL300012075212	0	36	0.0	-29.21	325.42	7.50	-21.71
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012075213	0	36	0.0	-35.96	307.67	6.68	-29.28
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Br)C=CC=C1Br	REAL300012075214	0	29	0.0	-28.19	283.83	7.86	-20.33
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Br)C=CC=C1OC(F)F	REAL300012075215	0	33	0.0	-26.24	303.64	7.17	-19.07
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012075216	0	42	0.0	-29.86	330.97	8.05	-21.81
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012075217	0	36	0.0	-33.11	321.48	8.52	-24.59
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012075218	0	29	0.0	-32.93	281.10	7.58	-25.35
CN(CCO)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=N1	REAL300012075219	0	40	0.0	-32.68	327.22	4.61	-28.07
COC1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012075220	0	45	0.0	-28.07	340.77	8.78	-19.29
CN1C=C(Br)N=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075221	0	29	0.0	-38.87	267.69	5.84	-33.03
CC(C)(OCC1=CC=CC=C1)C1=CC=C(F)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075222	0	52	0.0	-32.87	418.09	11.68	-21.19
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012075223	0	35	0.0	-27.59	303.08	6.12	-21.47
CN1C(=O)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC2=CC=CC=C21	REAL300012075224	0	38	0.0	-27.07	312.81	7.77	-19.30
CC1=CC(C)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C)=C1Br	REAL300012075225	0	38	0.0	-29.68	313.79	9.10	-20.58
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012075226	0	39	0.0	-33.99	343.84	7.81	-26.18
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075227	0	46	0.0	-39.12	371.00	7.16	-31.96
CC1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012075228	0	32	0.0	-27.98	286.25	6.61	-21.37
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012075229	0	35	0.0	-40.08	312.12	7.69	-32.39
CCCN1N=C(C)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1Cl	REAL300012075230	0	38	0.0	-30.54	329.11	7.31	-23.23
CC(C)(C#N)C1=NC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])S1	REAL300012075231	0	35	0.0	-34.53	314.53	6.19	-28.34
COC1=CC=C(Br)C(F)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075232	0	33	0.0	-35.84	303.24	6.90	-28.94
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(F)C=C(C(F)(F)F)C=C1Br	REAL300012075233	0	32	0.0	-27.75	309.77	8.55	-19.20
N#CC1=CC(F)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(Br)=C1	REAL300012075234	0	30	0.0	-28.70	287.30	7.80	-20.90
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012075235	0	36	0.0	-31.20	311.90	9.42	-21.78
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012075236	0	35	0.0	-35.73	303.45	9.46	-26.27
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012075237	0	29	0.0	-27.42	287.54	8.15	-19.27
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012075238	0	46	0.0	-34.30	357.43	9.70	-24.60
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012075239	0	40	0.0	-37.74	353.28	10.23	-27.51
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012075240	0	49	0.0	-32.45	376.59	10.34	-22.11
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012075241	0	43	0.0	-32.66	374.29	10.91	-21.75
COC1=CC=CC(OC2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2)=C1	REAL300012075242	0	44	0.0	-40.90	367.39	9.06	-31.84
CCN1CCCC2=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C21	REAL300012075243	0	44	0.0	-34.81	338.06	8.03	-26.78
COCC1=CN=C(OC)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075244	0	39	0.0	-27.25	326.22	3.53	-23.72
CN1N=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1Br	REAL300012075245	0	29	0.0	-33.63	270.59	5.07	-28.56
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012075246	0	44	0.0	-35.22	365.23	9.77	-25.45
COC1=C(Br)C=CC(F)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075247	0	33	0.0	-31.61	304.71	6.98	-24.63
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012075248	0	42	0.0	-33.86	357.54	11.59	-22.27
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Br)C=CC=C1OC(F)(F)F	REAL300012075249	0	33	0.0	-25.19	308.87	7.36	-17.83
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012075250	0	33	0.0	-33.27	304.05	8.49	-24.78
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300012075251	0	43	0.0	-34.62	375.65	10.84	-23.78
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012075252	0	42	0.0	-33.28	340.85	7.71	-25.57
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1OC(F)F	REAL300012075253	0	33	0.0	-37.12	307.06	7.14	-29.98
CC1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012075254	0	35	0.0	-31.38	305.71	8.92	-22.46
COC1=CC=C(F)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1OC	REAL300012075255	0	37	0.0	-29.49	311.96	6.33	-23.16
COC1=CC(OC)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C2=NC(Cl)=CC=C12	REAL300012075256	0	42	0.0	-32.46	359.45	6.69	-25.77
CC1=CC=C(F)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1Br	REAL300012075257	0	32	0.0	-27.57	289.24	8.13	-19.44
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012075258	0	52	0.0	-30.65	399.84	11.34	-19.31
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012075259	0	43	0.0	-32.90	347.24	9.39	-23.51
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OCCO	REAL300012075260	0	41	0.0	-40.44	341.16	3.94	-36.50
COC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1OCCO	REAL300012075261	0	41	0.0	-40.81	339.84	3.90	-36.91
CN1C=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012075262	0	39	0.0	-41.63	333.81	5.79	-35.84
COC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012075263	0	48	0.0	-37.44	384.01	7.62	-29.82
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012075264	0	32	0.0	-34.68	280.62	8.12	-26.56
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012075265	0	36	0.0	-36.26	322.76	7.63	-28.63
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012075266	0	38	0.0	-35.76	344.36	8.80	-26.96
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012075267	0	32	0.0	-27.97	290.44	6.14	-21.83
CS(=O)(=O)C1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])SC=C1	REAL300012075268	0	32	0.0	-29.30	288.42	3.60	-25.70
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012075269	0	32	0.0	-39.93	292.16	7.89	-32.04
CC(C)OC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1F	REAL300012075270	0	39	0.0	-31.63	321.85	7.92	-23.71
CS(=O)(=O)C1=CSC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075271	0	32	0.0	-41.18	300.09	3.47	-37.71
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012075272	0	36	0.0	-37.75	324.74	8.64	-29.11
CC1=NN(C2CCCC2)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075273	0	42	0.0	-32.39	335.74	8.11	-24.28
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Br)C=C(C(F)(F)F)S1	REAL300012075274	0	29	0.0	-29.23	297.94	7.88	-21.35
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012075275	0	37	0.0	-32.49	328.07	8.70	-23.79
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075276	0	39	0.0	-30.69	325.74	7.69	-23.00
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012075277	0	32	0.0	-33.73	288.39	8.47	-25.26
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012075278	0	29	0.0	-28.16	286.39	8.04	-20.12
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012075279	0	36	0.0	-33.92	312.89	8.32	-25.60
COC1=NC(C)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C)=C1Cl	REAL300012075280	0	38	0.0	-34.21	318.24	4.98	-29.23
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075281	0	38	0.0	-32.18	323.85	7.22	-24.96
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075282	0	45	0.0	-35.98	351.48	8.48	-27.50
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012075283	0	40	0.0	-36.54	324.60	5.55	-30.99
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075284	0	43	0.0	-33.04	342.67	6.27	-26.77
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012075285	0	34	0.0	-30.77	307.41	8.13	-22.64
NS(=O)(=O)C1=CSC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075286	0	31	0.0	-37.87	293.46	1.04	-36.83
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012075287	0	44	0.0	-39.95	351.04	6.44	-33.51
CC1=NN(C2CCCC2)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075288	0	42	0.0	-31.85	330.97	8.01	-23.84
CC1=CC(Br)=C(F)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075289	0	32	0.0	-26.06	294.17	8.35	-17.71
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012075290	0	29	0.0	-27.40	287.70	8.16	-19.24
COC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1Br	REAL300012075291	0	33	0.0	-32.99	289.90	6.88	-26.11
CN1C=C(C2=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C2)C=N1	REAL300012075292	0	39	0.0	-35.67	326.45	8.28	-27.39
COC1=CC(F)=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1Br	REAL300012075293	0	33	0.0	-32.34	301.80	6.98	-25.36
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012075294	0	39	0.0	-46.42	334.42	9.27	-37.15
CC1=CC=C(Br)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075295	0	32	0.0	-27.48	280.40	8.17	-19.31
COC1=NC2=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C2S1	REAL300012075296	0	35	0.0	-33.82	312.06	4.86	-28.96
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=NC(Br)=C1	REAL300012075297	0	28	0.0	-40.44	264.21	5.59	-34.85
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012075298	0	29	0.0	-30.92	278.35	7.90	-23.02
CC(C)(C)COC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075299	0	45	0.0	-32.49	359.44	9.38	-23.11
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012075300	0	29	0.0	-37.92	292.23	8.03	-29.89
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012075301	0	32	0.0	-37.76	295.64	8.28	-29.48
COC(=O)C1=C(C)NC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1C	REAL300012075302	0	39	0.0	-36.03	329.56	6.66	-29.37
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CC=C2C1	REAL300012075303	0	53	0.0	-34.86	413.54	10.23	-24.63
CC1=CC(Br)=CC(C)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075304	0	35	0.0	-32.23	298.40	8.42	-23.81
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012075305	0	30	0.0	-38.34	281.13	4.62	-33.72
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012075306	0	32	0.0	-28.59	286.41	6.05	-22.54
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012075307	0	45	0.0	-33.71	349.72	10.68	-23.03
CC1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])SC(Br)=C1	REAL300012075308	0	29	0.0	-26.15	274.38	7.34	-18.81
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012075309	0	37	0.0	-39.92	318.37	7.25	-32.67
CCCN1N=C(C)C(Cl)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075310	0	38	0.0	-25.19	327.71	7.23	-17.96
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075311	0	41	0.0	-26.08	342.62	9.03	-17.05
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012075312	0	42	0.0	-36.12	351.98	11.37	-24.75
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC(Cl)=C1Br	REAL300012075313	0	29	0.0	-34.03	294.39	8.35	-25.68
CCCCC(=O)NC1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=C1	REAL300012075314	0	45	0.0	-39.01	367.31	8.29	-30.72
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CSC(Br)=C1Br	REAL300012075315	0	26	0.0	-35.91	277.44	7.09	-28.82
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(Br)=C1Br	REAL300012075316	0	29	0.0	-35.88	279.27	7.85	-28.03
CCN(C)C1=CC=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C(C)=C1	REAL300012075317	0	43	0.0	-27.67	330.73	8.84	-18.83
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012075318	0	28	0.0	-25.04	273.61	6.18	-18.86
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012075319	0	26	0.0	-31.53	269.10	7.07	-24.46
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075320	0	50	0.0	-33.05	375.20	8.85	-24.20
COC1=CC(C)=CC(OC)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075321	0	40	0.0	-28.27	325.36	6.42	-21.85
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012075322	0	33	0.0	-31.69	308.36	7.34	-24.35
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012075323	0	39	0.0	-34.06	336.23	9.86	-24.20
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012075324	0	38	0.0	-33.71	315.74	8.66	-25.05
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1	REAL300012075325	0	51	0.0	-37.36	408.07	11.82	-25.54
CC1=CC=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1C(F)(F)F	REAL300012075326	0	35	0.0	-39.71	293.45	8.49	-31.22
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(C(F)(F)F)C=C1Br	REAL300012075327	0	32	0.0	-31.82	297.49	8.43	-23.39
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012075328	0	31	0.0	-31.20	290.28	6.31	-24.89
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012075329	0	34	0.0	-40.85	314.93	7.25	-33.60
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012075330	0	36	0.0	-26.50	307.22	5.64	-20.86
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012075331	0	32	0.0	-33.80	307.83	9.05	-24.75
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075332	0	42	0.0	-26.61	344.72	9.49	-17.12
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1Br	REAL300012075333	0	29	0.0	-30.23	280.04	8.05	-22.18
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012075334	0	29	0.0	-38.51	281.02	7.56	-30.95
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012075335	0	29	0.0	-31.67	288.48	7.98	-23.69
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012075336	0	31	0.0	-39.80	298.69	8.20	-31.60
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075337	0	36	0.0	-31.74	306.19	8.89	-22.85
COC1=C(C[NH2+][C@H](CC(F)F)C(=O)[O-])C=CC(Br)=C1F	REAL300012075338	0	33	0.0	-35.03	304.03	7.11	-27.92
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012075339	0	32	0.0	-39.58	291.14	8.05	-31.53
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075340	0	47	0.0	-31.44	369.51	8.58	-22.86
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012075341	0	35	0.0	-35.01	313.73	9.68	-25.33
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012075342	0	42	0.0	-32.11	335.34	4.13	-27.98
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=C(CN2C=C(Br)C=N2)C=C1	REAL300012075343	0	39	0.0	-40.32	354.66	9.18	-31.14
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=C(F)C=C(I)C=C1F	REAL300012075344	0	29	0.0	-28.48	286.05	8.19	-20.29
COC1=CC=C(OC)C(OC)=C1C[NH2+][C@H](CC(F)F)C(=O)[O-]	REAL300012075345	0	41	0.0	-28.45	334.78	5.66	-22.79
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012075346	0	46	0.0	-38.79	357.38	9.22	-29.57
O=C([O-])[C@@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012075347	0	43	0.0	-28.33	354.34	10.36	-17.97
CC1=CC(C[NH2+][C@H](CC(F)F)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012075348	0	38	0.0	-35.36	317.89	8.33	-27.03
COC1=CC=C(Br)C(C[NH2+][C@H](CC(F)F)C(=O)[O-])=C1O	REAL300012075349	0	34	0.0	-27.84	304.62	4.71	-23.13
CSCC([NH2+]CC1=CN(C2=CC=C(C)C=C2)N=C1C(C)(C)C)C(=O)[O-]	REAL300012075350	0	52	0.0	-26.68	402.41	11.04	-15.64
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012075351	0	48	0.0	-30.54	401.36	10.27	-20.27
CSCC([NH2+]CC1=C(Cl)N(C2=CC=C(F)C=C2)N=C1C)C(=O)[O-]	REAL300012075352	0	40	0.0	-23.63	358.55	9.08	-14.55
COC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012075353	0	51	0.0	-30.67	422.77	10.81	-19.86
CSCC([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012075354	0	47	0.0	-33.24	392.56	11.75	-21.49
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012075355	0	48	0.0	-30.46	418.10	10.79	-19.67
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OCC1=CC=C(F)C=C1	REAL300012075356	0	48	0.0	-30.04	405.78	10.27	-19.77
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]C(CSC)C(=O)[O-])=C2)C=C1	REAL300012075357	0	48	0.0	-34.81	400.34	8.34	-26.47
CSCC([NH2+]CC1=CC=CC(NC(=O)C2=CC=CC=C2Cl)=C1)C(=O)[O-]	REAL300012075358	0	44	0.0	-35.22	383.17	9.55	-25.67
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OCC(=O)N1CCOCC1	REAL300012075359	0	53	0.0	-37.86	428.48	7.25	-30.61
CSCC([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300012075360	0	40	0.0	-28.55	339.34	8.88	-19.67
CSCC([NH2+]CC1=CN(CCC#N)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012075361	0	44	0.0	-33.48	378.70	9.44	-24.04
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OC(F)F	REAL300012075362	0	38	0.0	-29.22	327.36	6.51	-22.71
CSCC([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1)C(=O)[O-]	REAL300012075363	0	46	0.0	-32.11	387.35	9.64	-22.47
CSCC([NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1)C(=O)[O-]	REAL300012075364	1	37	0.0	-25.55	341.48	9.54	-16.01
CCOC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC(Br)=C1OC	REAL300012075365	0	41	0.0	-30.85	366.21	7.94	-22.91
CCOC1=C(Br)C=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075366	0	41	0.0	-30.99	366.21	7.98	-23.01
C=CCOC1=C(Br)C=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075367	0	42	0.0	-30.54	377.79	8.51	-22.03
CCCOC1=C(Br)C=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075368	0	44	0.0	-30.82	387.71	8.78	-22.04
CCCOC1=CC=C(Br)C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075369	0	40	0.0	-26.30	354.05	8.79	-17.51
CSCC([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1)C(=O)[O-]	REAL300012075370	0	44	0.0	-29.06	371.11	10.43	-18.63
CCCCCOC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012075371	0	46	0.0	-27.60	376.70	9.69	-17.91
CSCC([NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C(=O)[O-]	REAL300012075372	1	39	0.0	-31.10	348.39	9.60	-21.50
CSCC([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1)C(=O)[O-]	REAL300012075373	1	39	0.0	-31.04	349.69	9.63	-21.41
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1Br	REAL300012075374	0	34	0.0	-26.40	308.77	6.99	-19.41
CCCCOC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075375	0	47	0.0	-29.00	384.45	8.80	-20.20
CCCOC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075376	0	44	0.0	-28.15	360.96	7.95	-20.20
C=CCOC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075377	0	42	0.0	-30.56	354.36	7.80	-22.76
CCCCCCOC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075378	0	53	0.0	-28.90	427.45	10.36	-18.54
CSCC([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1)C(=O)[O-]	REAL300012075379	1	37	0.0	-25.57	336.92	9.44	-16.13
CSCC([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1)C(=O)[O-]	REAL300012075380	1	37	0.0	-25.97	337.08	9.48	-16.49
CSCC([NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1)C(=O)[O-]	REAL300012075381	1	37	0.0	-25.58	341.49	9.53	-16.05
CSCC([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C(=O)[O-]	REAL300012075382	0	37	0.0	-26.15	345.84	10.37	-15.78
CSCC([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012075383	0	40	0.0	-32.13	344.18	8.70	-23.43
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC(OC)=C1OCC1=CC=CC=C1	REAL300012075384	0	52	0.0	-32.44	434.93	10.18	-22.26
CSCC([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1)C(=O)[O-]	REAL300012075385	1	39	0.0	-32.44	345.61	10.25	-22.19
CSCC([NH2+]CC1=CN(C)N=C1C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300012075386	0	49	0.0	-28.81	401.05	8.14	-20.67
CSCC([NH2+]CC1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300012075388	0	34	0.0	-29.55	305.85	6.94	-22.61
CSCC([NH2+]CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012075389	0	34	0.0	-28.89	317.24	8.56	-20.33
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012075390	0	37	0.0	-25.05	320.23	4.77	-20.28
CSCC([NH2+]CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300012075391	0	34	0.0	-27.66	304.85	6.82	-20.84
CSCC([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1)C(=O)[O-]	REAL300012075392	0	39	0.0	-31.09	357.29	10.52	-20.57
CSCC([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C(=O)[O-]	REAL300012075393	0	39	0.0	-37.43	357.46	10.60	-26.83
CSCC([NH2+]CC1=CNN=C1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300012075394	0	37	0.0	-28.72	318.66	6.84	-21.88
CSCC([NH2+]CC1=CNN=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300012075395	0	40	0.0	-24.75	336.67	7.58	-17.17
COC1=CC=C(C2=NNC=C2C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012075396	0	41	0.0	-26.87	346.71	6.24	-20.63
CCOC1=C(C[NH2+]C(CSC)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012075397	0	49	0.0	-23.98	395.07	7.57	-16.41
CSCC([NH2+]CC1=CC=C(C2=CC=C(C)C=C2)O1)C(=O)[O-]	REAL300012075398	1	40	0.0	-25.73	342.91	9.64	-16.09
CSCC([NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300012075399	0	43	0.0	-28.17	360.40	6.04	-22.13
CSCC([NH2+]CC1=CC=C(OCC2CCCO2)C=C1)C(=O)[O-]	REAL300012075400	0	45	0.0	-30.76	369.18	7.71	-23.05
CSCC([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300012075401	0	37	0.0	-26.64	335.51	9.92	-16.72
CSCC([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300012075402	0	50	0.0	-29.82	423.43	12.31	-17.51
CSCC([NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1)C(=O)[O-]	REAL300012075403	0	43	0.0	-24.60	361.53	8.67	-15.93
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075404	0	39	0.0	-31.24	331.72	6.10	-25.14
CSCC([NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)S1)C(=O)[O-]	REAL300012075405	0	37	0.0	-25.59	349.08	10.44	-15.15
CSCC([NH2+]CC1=C(Cl)N=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300012075406	0	41	0.0	-25.49	358.77	8.13	-17.36
CSCC([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300012075407	0	37	0.0	-28.88	343.53	10.33	-18.55
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012075408	0	47	0.0	-32.75	394.25	8.43	-24.32
CSCC([NH2+]CC1=CC=C(C2=CC=CC=C2F)S1)C(=O)[O-]	REAL300012075409	0	37	0.0	-31.12	337.91	10.05	-21.07
CSCC([NH2+]CC1=CC=C(C2=CC=CC=C2Br)S1)C(=O)[O-]	REAL300012075410	0	37	0.0	-28.70	347.07	10.40	-18.30
CSCC([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300012075411	0	33	0.0	-25.69	310.22	8.55	-17.14
CSCC([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300012075412	0	33	0.0	-28.03	303.17	8.08	-19.95
CSCC([NH2+]CC1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300012075413	0	33	0.0	-31.06	295.83	8.23	-22.83
CSCC([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012075414	0	33	0.0	-28.95	305.08	8.09	-20.86
CSCC([NH2+]CC1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300012075415	0	33	0.0	-28.16	304.11	8.14	-20.02
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C(Cl)=C1OC	REAL300012075416	0	38	0.0	-24.88	335.47	6.87	-18.01
CSCC([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1C(C)C)C(=O)[O-]	REAL300012075417	0	46	0.0	-26.98	396.17	10.38	-16.60
CSCC([NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)S1)C(=O)[O-]	REAL300012075418	0	37	0.0	-30.10	349.99	10.49	-19.61
CSCC([NH2+]CC1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300012075419	0	34	0.0	-26.52	315.49	7.24	-19.28
CSCC([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300012075420	0	37	0.0	-30.11	345.44	10.39	-19.72
CSCC([NH2+]CC1=CC=CC(OCC2=CC=CC(C#N)=C2)=C1)C(=O)[O-]	REAL300012075421	0	45	0.0	-30.20	390.97	10.71	-19.49
CSCC([NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300012075422	0	40	0.0	-28.85	343.82	5.60	-23.25
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012075423	0	41	0.0	-33.43	361.03	7.68	-25.75
CSCC([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300012075424	0	43	0.0	-29.22	365.00	8.55	-20.67
CSCC([NH2+]CC1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300012075425	0	36	0.0	-29.57	326.12	6.90	-22.67
CSCC([NH2+]CC1=CC(Br)=C2OCCCOC2=C1)C(=O)[O-]	REAL300012075426	0	39	0.0	-29.40	343.24	7.63	-21.77
CSCC([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C(=O)[O-]	REAL300012075427	0	40	0.0	-31.56	360.38	9.26	-22.30
CSCC([NH2+]CC1=C(Cl)N(C)N=C1C(C)C)C(=O)[O-]	REAL300012075428	0	39	0.0	-25.64	340.95	7.03	-18.61
CSCC([NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)N=C1)C(=O)[O-]	REAL300012075431	0	46	0.0	-36.75	378.96	7.03	-29.72
CSCC([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C(=O)[O-]	REAL300012075432	0	37	0.0	-27.97	331.78	7.79	-20.18
CSCC([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300012075434	0	37	0.0	-26.49	324.90	9.61	-16.88
CSCC([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C(=O)[O-]	REAL300012075435	0	44	0.0	-28.38	354.04	9.23	-19.15
CSCC([NH2+]CC1=CN(C)N=C1C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012075436	0	43	0.0	-25.99	369.74	9.10	-16.89
CSCC([NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C(=O)[O-]	REAL300012075438	0	44	0.0	-27.44	375.84	10.54	-16.90
CSCC([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300012075445	0	37	0.0	-31.05	335.10	9.94	-21.11
CSCC([NH2+]CC1=CC=CC=C1OCC(=O)N(C)C)C(=O)[O-]	REAL300012075446	0	44	0.0	-39.56	366.79	7.96	-31.60
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=C([N+](=O)[O-])C=C1OCC(F)(F)F	REAL300012075447	0	43	0.0	-26.42	380.04	8.23	-18.19
CSCC([NH2+]CC1=CC=CC=C1OC1CCCC1)C(=O)[O-]	REAL300012075448	0	44	0.0	-23.09	354.57	9.36	-13.73
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C(CSC)C(=O)[O-])=C1	REAL300012075449	0	47	0.0	-27.53	393.00	8.01	-19.52
CSCC([NH2+]CC1=CC=C(C2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300012075450	0	40	0.0	-25.15	349.19	10.49	-14.66
COC1=CC(OC)=CC(OC2=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C2)=C1	REAL300012075451	0	49	0.0	-30.18	408.26	8.56	-21.62
CSCC([NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F)C(=O)[O-]	REAL300012075452	0	36	0.0	-32.21	326.96	7.39	-24.82
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075453	0	34	0.0	-25.05	322.27	7.47	-17.58
CCOCCOC1=CC=C(Br)C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075454	0	44	0.0	-26.18	387.63	8.23	-17.95
CSCC([NH2+]CC1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300012075455	0	30	0.0	-22.19	292.85	8.09	-14.10
CSCC([NH2+]CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300012075456	0	30	0.0	-21.71	291.86	8.08	-13.63
CSCC([NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)C(=O)[O-]	REAL300012075457	0	41	0.0	-27.41	360.37	10.02	-17.39
CCOC1=C(OC)C=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075458	0	45	0.0	-31.27	375.02	7.13	-24.14
COCCCOC1=CC=CC(C[NH2+]C(CSC)C(=O)[O-])=C1	REAL300012075459	0	44	0.0	-26.45	365.38	7.13	-19.32
COC1=CC=C(OC(F)F)C(C[NH2+]C(CSC)C(=O)[O-])=C1	REAL300012075460	0	38	0.0	-26.74	327.31	5.95	-20.79
CSCC([NH2+]CC1=CC=CC(Br)=C1OC(F)F)C(=O)[O-]	REAL300012075461	0	34	0.0	-27.35	315.57	7.26	-20.09
CSCC([NH2+]CC1=C(Cl)C=CC=C1OC(F)F)C(=O)[O-]	REAL300012075462	0	34	0.0	-25.83	313.24	7.12	-18.71
CSCC([NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012075463	0	50	0.0	-26.36	413.12	11.86	-14.50
CSCC([NH2+]CC1=CC=C(OC2=CC=CN=C2)C(C)=C1)C(=O)[O-]	REAL300012075464	0	43	0.0	-29.44	362.01	8.73	-20.71
CSCC([NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1)C(=O)[O-]	REAL300012075465	0	48	0.0	-37.67	401.27	8.32	-29.35
CSCC([NH2+]CC1=CN=C(C2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300012075466	0	39	0.0	-27.39	347.69	8.78	-18.61
CSCC([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012075467	0	35	0.0	-27.28	316.42	8.08	-19.20
CSCC([NH2+]CC1=CC=C(Cl)C2=CC=CN=C12)C(=O)[O-]	REAL300012075468	0	35	0.0	-28.89	314.17	8.00	-20.89
CSCC([NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)C(=O)[O-]	REAL300012075469	0	37	0.0	-27.24	334.68	9.09	-18.15
CSCC([NH2+]CC1=CC=C(C2=CC=C(F)C=C2C)O1)C(=O)[O-]	REAL300012075470	1	40	0.0	-25.68	347.06	9.67	-16.01
CCC1=CC=C(C2=CC=C(C[NH2+]C(CSC)C(=O)[O-])O2)C=C1	REAL300012075471	1	43	0.0	-25.04	363.07	10.36	-14.68
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C(OC(F)F)=C1	REAL300012075472	0	38	0.0	-30.58	328.63	6.01	-24.57
CSCC([NH2+]CC1=CC=C(OC2=CC=CC=C2)O1)C(=O)[O-]	REAL300012075473	1	38	0.0	-26.43	326.71	8.79	-17.64
CSCC([NH2+]CC1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300012075474	0	33	0.0	-27.38	298.35	8.22	-19.16
CSCC([NH2+]CC1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300012075475	0	33	0.0	-27.08	300.35	8.28	-18.80
CSCC([NH2+]CC1=CC(Cl)=CC2=C1OCC2)C(=O)[O-]	REAL300012075476	0	35	0.0	-23.65	311.35	7.38	-16.27
CSCC([NH2+]CC1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C(=O)[O-]	REAL300012075477	1	49	0.0	-24.83	396.30	11.24	-13.59
CSCC([NH2+]CC1=C(Cl)C=CC=C1OC1=C(C)C=CC(C)=C1C)C(=O)[O-]	REAL300012075478	0	50	0.0	-25.46	420.59	12.37	-13.09
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075479	0	50	0.0	-25.21	394.95	10.28	-14.93
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075480	0	50	0.0	-24.07	401.04	10.18	-13.89
CSCC([NH2+]CC1=CC(C)=C(OCC2=CC=CC(C)=C2)C(C)=C1)C(=O)[O-]	REAL300012075481	0	53	0.0	-28.47	438.04	12.64	-15.83
CSCC([NH2+]CC1=CC(C)=C(OCC2=CC=CC=C2C)C(C)=C1)C(=O)[O-]	REAL300012075482	0	53	0.0	-27.73	429.20	12.52	-15.21
CSCC([NH2+]CC1=CC(C)=C(OCC2=CC=CC=C2Cl)C(C)=C1)C(=O)[O-]	REAL300012075483	0	50	0.0	-28.07	429.79	12.57	-15.50
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012075484	0	48	0.0	-26.84	393.66	11.80	-15.04
CSCC([NH2+]CC1=C(C)N(CC2=CC=C(Cl)C=C2)N=C1C)C(=O)[O-]	REAL300012075485	0	46	0.0	-26.26	394.39	10.02	-16.24
CCN(CC)C1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1F	REAL300012075486	0	44	0.0	-26.10	358.13	8.09	-18.01
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=C(SC)C=C1OC	REAL300012075487	0	42	0.0	-24.94	353.21	7.16	-17.78
COC1=CC=C2N=C(C[NH2+]C(CSC)C(=O)[O-])SC2=C1	REAL300012075488	1	36	0.0	-25.59	320.50	5.84	-19.75
CSCC([NH2+]CC1=NC2=CC=C(Cl)C=C2N1C)C(=O)[O-]	REAL300012075489	0	36	0.0	-32.11	324.00	7.95	-24.16
CSCC([NH2+]CC1=CC=C(SC(F)F)C=C1)C(=O)[O-]	REAL300012075490	0	34	0.0	-29.29	310.67	8.36	-20.93
CSCC([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300012075491	0	34	0.0	-30.60	304.34	6.68	-23.92
CSCC([NH2+]CC1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300012075492	0	36	0.0	-26.71	314.72	8.73	-17.98
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC(Cl)=C1OC	REAL300012075493	0	38	0.0	-31.16	339.97	6.91	-24.25
CCOC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OC(C)C(=O)N(C)C	REAL300012075494	0	54	0.0	-38.23	434.31	9.01	-29.22
CSCC([NH2+]CC1=CC(Br)=CC=C1OC(F)F)C(=O)[O-]	REAL300012075495	0	34	0.0	-25.53	318.04	7.28	-18.25
CSCC([NH2+]CC1=C(Cl)N(CC2=CC=C(C)C=C2)N=C1C)C(=O)[O-]	REAL300012075496	0	46	0.0	-23.79	399.16	10.19	-13.60
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OCC(C)C	REAL300012075497	0	47	0.0	-28.80	381.06	8.63	-20.17
CCCOC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OC	REAL300012075498	0	44	0.0	-30.03	362.96	8.02	-22.01
CSCC([NH2+]CC1=CC=C(Br)S1)C(=O)[O-]	REAL300012075499	0	27	0.0	-24.45	271.84	6.86	-17.59
CCOC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC(Cl)=C1OC	REAL300012075500	0	41	0.0	-30.94	361.83	7.83	-23.11
COC1=CC=CC(C[NH2+]C(CSC)C(=O)[O-])=C1OC(C)C	REAL300012075501	0	44	0.0	-31.43	356.87	8.36	-23.07
CCOC1=C(Cl)C=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075502	0	41	0.0	-31.05	361.83	7.87	-23.18
CCCOC1=C(C[NH2+]C(CSC)C(=O)[O-])C=CC=C1OCC	REAL300012075503	0	47	0.0	-23.40	386.32	9.07	-14.33
CCCCOC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OC	REAL300012075504	0	47	0.0	-28.92	382.45	8.73	-20.19
CCCOC1=C(Cl)C=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OCC	REAL300012075505	0	47	0.0	-30.71	405.18	9.59	-21.12
CSCC([NH2+]CC1=C(Cl)N(C2=CC(C)=CC=C2C)N=C1C)C(=O)[O-]	REAL300012075506	0	46	0.0	-28.09	396.90	10.73	-17.36
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC(F)F	REAL300012075507	0	38	0.0	-32.13	327.36	6.52	-25.61
CCOC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OC(F)F	REAL300012075508	0	41	0.0	-29.94	351.21	7.50	-22.44
CSCC([NH2+]CC1=CC(C)=C(OC(F)F)C(C)=C1)C(=O)[O-]	REAL300012075509	0	40	0.0	-29.27	339.81	8.13	-21.14
CSCC([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300012075511	0	50	0.0	-29.91	423.69	12.36	-17.55
CCOC1=CC2=C(C=C1C[NH2+]C(CSC)C(=O)[O-])OC(C)C2	REAL300012075512	0	45	0.0	-26.22	367.93	7.98	-18.24
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC2=C1OCCO2	REAL300012075513	0	40	0.0	-29.78	333.64	6.06	-23.72
CSCC([NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1)C(=O)[O-]	REAL300012075514	1	39	0.0	-29.39	355.75	8.50	-20.89
CCCCN1N=C(C)C(C[NH2+]C(CSC)C(=O)[O-])=C1Cl	REAL300012075515	0	42	0.0	-22.78	361.81	8.08	-14.70
CCOC1=CC=CC(C[NH2+]C(CSC)C(=O)[O-])=C1OC(F)F	REAL300012075516	0	41	0.0	-26.20	350.06	7.68	-18.52
CSCC([NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1)C(=O)[O-]	REAL300012075517	0	48	0.0	-29.15	393.14	9.19	-19.96
CSCC([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300012075518	0	53	0.0	-27.75	429.54	12.69	-15.06
CSCC([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300012075519	0	53	0.0	-25.31	441.04	12.74	-12.57
CSCC([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012075520	0	50	0.0	-29.94	421.01	12.06	-17.88
CSCC([NH2+]CC1=CC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012075521	0	37	0.0	-25.71	329.11	9.85	-15.86
CCCOC1=C(Cl)C=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075522	0	44	0.0	-30.96	383.33	8.67	-22.29
CSCC([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300012075523	0	53	0.0	-28.84	438.10	12.63	-16.21
CSCC([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C(C)(C)C)C(=O)[O-]	REAL300012075524	0	52	0.0	-24.71	410.48	11.09	-13.62
CSCC([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1C(C)(C)C)C(=O)[O-]	REAL300012075525	0	49	0.0	-24.72	404.10	10.81	-13.91
CSCC([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1C(C)C)C(=O)[O-]	REAL300012075526	0	49	0.0	-23.16	417.99	10.77	-12.39
CSCC([NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1)C(=O)[O-]	REAL300012075527	1	37	0.0	-29.97	336.22	9.15	-20.82
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]C(CSC)C(=O)[O-])=C1	REAL300012075528	0	53	0.0	-25.79	428.81	9.50	-16.29
CSCC([NH2+]CC1=CN(C)N=C1C1CCCCC1)C(=O)[O-]	REAL300012075529	0	46	0.0	-29.03	367.30	8.60	-20.43
CSCC([NH2+]CC1=CN(C2=CC=CC=C2Cl)N=C1C(C)(C)C)C(=O)[O-]	REAL300012075530	0	49	0.0	-26.94	400.48	11.28	-15.66
CSCC([NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012075532	0	37	0.0	-29.04	332.76	7.43	-21.61
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OCC1=C(C)ON=C1C	REAL300012075533	0	50	0.0	-32.55	416.65	8.98	-23.57
CSCC([NH2+]CC1=CC=C(C2=CC=CC=C2F)O1)C(=O)[O-]	REAL300012075534	1	37	0.0	-27.01	328.59	9.04	-17.97
CSCC([NH2+]CC1=CC(Cl)=C2OCCOC2=C1)C(=O)[O-]	REAL300012075535	0	36	0.0	-29.81	321.74	6.77	-23.04
CCCCC1=C(C[NH2+]C(CSC)C(=O)[O-])C2=CC=CC=C2O1	REAL300012075536	0	45	0.0	-23.55	368.96	10.61	-12.94
CSCC([NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300012075537	0	43	0.0	-34.19	367.75	11.77	-22.42
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012075538	0	45	0.0	-30.77	389.60	9.27	-21.50
CSCC([NH2+]CC1=C(C)N(C2=CC=C(F)C=C2)N=C1C)C(=O)[O-]	REAL300012075539	0	43	0.0	-28.08	362.66	9.21	-18.87
CSCC([NH2+]CC1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300012075540	0	39	0.0	-29.54	338.85	7.52	-22.02
CSCC([NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C(=O)[O-]	REAL300012075541	0	44	0.0	-26.97	385.29	10.96	-16.01
CSCC([NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300012075542	0	37	0.0	-36.04	338.00	7.86	-28.18
CSCC([NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1)C(=O)[O-]	REAL300012075543	0	36	0.0	-37.45	335.29	7.61	-29.84
CSCC([NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1)C(=O)[O-]	REAL300012075544	0	36	0.0	-35.38	336.34	7.49	-27.89
CSCC([NH2+]CC1=CC(Br)=CC(C)=C1OC(F)F)C(=O)[O-]	REAL300012075545	0	37	0.0	-23.25	334.67	8.01	-15.24
CSCC([NH2+]CC1=CC(Br)=C(Cl)S1)C(=O)[O-]	REAL300012075546	0	27	0.0	-26.12	286.59	7.33	-18.79
CSCC([NH2+]CC1=CC=C(SC2=CC=C(C)C=C2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012075547	0	46	0.0	-38.90	402.72	12.21	-26.69
CSCC([NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012075548	0	47	0.0	-32.61	396.40	12.05	-20.56
COC1=CC=C(C2=CC=C(C[NH2+]C(CSC)C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012075549	1	43	0.0	-32.75	375.04	9.54	-23.21
CSCC([NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1)C(=O)[O-]	REAL300012075550	1	37	0.0	-26.43	352.07	9.89	-16.54
CSCC([NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012075551	0	43	0.0	-40.15	380.01	11.24	-28.91
CSCC([NH2+]CC1=CC=C(OC2=CC=CC=C2Cl)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012075552	0	43	0.0	-33.71	392.51	11.81	-21.90
CSCC([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300012075553	0	43	0.0	-24.71	379.67	9.59	-15.12
CSCC([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2Cl)N=C1C)C(=O)[O-]	REAL300012075554	0	43	0.0	-25.78	392.94	10.01	-15.77
CSCC([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CS1)C(=O)[O-]	REAL300012075555	0	47	0.0	-29.82	399.49	11.05	-18.77
CSCC([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1)C(=O)[O-]	REAL300012075556	0	49	0.0	-27.18	414.46	10.31	-16.87
CSCC([NH2+]CC1=C(Cl)N(C2=CC=CC(Cl)=C2)N=C1C)C(=O)[O-]	REAL300012075557	0	40	0.0	-27.59	369.93	9.55	-18.04
CSCC([NH2+]CC1=C(Cl)N(CC2=CC=C(Cl)C=C2)N=C1C)C(=O)[O-]	REAL300012075558	0	43	0.0	-24.44	394.49	10.03	-14.41
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OC(C)C	REAL300012075559	0	44	0.0	-29.01	359.40	7.83	-21.18
CCCOC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OCC	REAL300012075560	0	47	0.0	-29.82	384.81	8.94	-20.88
CSCC([NH2+]CC1=C(Cl)N(CC2=CC=C(F)C=C2)N=C1C)C(=O)[O-]	REAL300012075561	0	43	0.0	-26.13	386.16	9.66	-16.47
CSCC([NH2+]CC1=CC=C(Br)C(Br)=C1)C(=O)[O-]	REAL300012075562	0	30	0.0	-26.03	299.11	8.19	-17.84
CCCCCCCOC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012075563	0	52	0.0	-26.58	417.70	11.18	-15.40
CSCC([NH2+]CC(C)CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012075564	0	51	0.0	-26.56	391.82	11.39	-15.17
CSCC([NH2+]CC1=C(Br)C=CS1)C(=O)[O-]	REAL300012075565	0	27	0.0	-24.29	269.44	6.67	-17.62
CSCC([NH2+]CC1=CC=CC=C1N1CCOCC1)C(=O)[O-]	REAL300012075566	0	43	0.0	-25.72	345.80	6.60	-19.12
CSCC([NH2+]CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300012075567	0	30	0.0	-23.19	283.53	7.71	-15.48
CSCC([NH2+]CC1=CC=CC(C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300012075568	0	43	0.0	-27.96	355.56	11.12	-16.84
COC1=CC=C(Br)C(C[NH2+]C(CSC)C(=O)[O-])=C1	REAL300012075569	0	34	0.0	-24.73	302.77	6.92	-17.81
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012075570	0	36	0.0	-40.74	316.38	7.83	-32.91
CSCC([NH2+]CC1=CC=CC(C2=CC=CC=C2C)=C1)C(=O)[O-]	REAL300012075571	0	43	0.0	-25.50	354.90	11.11	-14.39
CSCC([NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012075572	0	36	0.0	-29.86	339.06	9.08	-20.78
CCOC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OCC	REAL300012075573	0	44	0.0	-29.20	361.31	8.07	-21.13
CSCC([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300012075574	0	33	0.0	-27.36	310.76	8.44	-18.92
CSCC([NH2+]CC1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300012075575	0	30	0.0	-22.47	283.54	7.70	-14.77
CSCC([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300012075576	0	34	0.0	-26.51	306.86	6.89	-19.62
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012075577	0	44	0.0	-28.18	367.06	10.09	-18.09
CSCC([NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)C(=O)[O-]	REAL300012075578	1	40	0.0	-26.74	359.23	9.94	-16.80
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C2=CC=CC=C12	REAL300012075579	0	40	0.0	-26.92	325.18	8.41	-18.51
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C(Br)=C1O	REAL300012075580	0	35	0.0	-24.77	316.44	4.80	-19.97
CSCC([NH2+]CC1=CSC(Br)=C1)C(=O)[O-]	REAL300012075581	0	27	0.0	-28.36	272.92	6.76	-21.60
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012075582	0	47	0.0	-33.02	396.20	8.48	-24.54
CSCC([NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1)C(=O)[O-]	REAL300012075583	0	37	0.0	-30.83	360.58	10.84	-19.99
CSCC([NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1)C(=O)[O-]	REAL300012075584	0	43	0.0	-27.81	382.33	9.17	-18.64
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012075585	0	48	0.0	-25.52	392.00	9.66	-15.86
CSCC([NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012075586	0	40	0.0	-27.95	334.16	10.44	-17.51
CSCC([NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1)C(=O)[O-]	REAL300012075587	0	43	0.0	-31.91	365.95	8.64	-23.27
CSCC([NH2+]CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300012075588	0	30	0.0	-26.86	285.87	7.70	-19.16
CSCC([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012075589	0	39	0.0	-32.26	332.57	8.98	-23.28
CSCC([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C(=O)[O-]	REAL300012075590	0	39	0.0	-27.76	328.08	8.67	-19.09
CSCC([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C(=O)[O-]	REAL300012075591	0	39	0.0	-29.78	330.68	8.73	-21.05
CSCC([NH2+]CC1=CC=C(N2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012075592	1	47	0.0	-26.70	369.16	5.74	-20.96
CSCC([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C(=O)[O-]	REAL300012075593	0	39	0.0	-30.67	342.19	5.59	-25.08
CSCC([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300012075594	0	37	0.0	-32.14	325.19	8.31	-23.83
CSCC([NH2+]CC1=C(C)N(C2=CC=C(Cl)C=C2)N=C1C)C(=O)[O-]	REAL300012075595	0	43	0.0	-27.69	372.98	9.66	-18.03
CSCC([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300012075596	0	37	0.0	-31.52	335.50	8.77	-22.75
CSCC([NH2+]CC1=C(C)N(C2=CC=C(F)C=C2F)N=C1C)C(=O)[O-]	REAL300012075597	0	43	0.0	-29.43	371.86	9.45	-19.98
CSCC([NH2+]CC1=C(C)N(C2=CC=C(Br)C=C2)N=C1C)C(=O)[O-]	REAL300012075598	0	43	0.0	-27.65	377.55	9.76	-17.89
CSCC([NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1)C(=O)[O-]	REAL300012075599	0	37	0.0	-23.51	362.71	8.95	-14.56
CSCC([NH2+]CC1=CC(C)=C(OCC2=CC=CC=N2)C(C)=C1)C(=O)[O-]	REAL300012075600	0	49	0.0	-29.16	405.78	10.13	-19.03
COC1=CC=CC(COC2=CC=CC(Cl)=C2C[NH2+]C(CSC)C(=O)[O-])=C1	REAL300012075601	0	48	0.0	-25.86	411.77	10.03	-15.83
CSCC([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300012075602	0	37	0.0	-29.12	331.79	7.79	-21.33
CCOC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012075603	0	51	0.0	-31.48	423.22	11.19	-20.29
CSCC([NH2+]CC1=CC=C(C(C)C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012075604	0	41	0.0	-29.71	345.94	9.60	-20.11
CSCC([NH2+]CC1=CC(Br)=C2OCOC2=C1)C(=O)[O-]	REAL300012075605	0	33	0.0	-29.14	306.21	6.31	-22.83
CSCC([NH2+]CC1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300012075606	0	46	0.0	-25.78	377.66	9.50	-16.28
CSCC([NH2+]CC1=C(C)N(CC2=CC=CC=C2Cl)N=C1C)C(=O)[O-]	REAL300012075607	0	46	0.0	-31.88	393.10	10.01	-21.87
CCOC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OCC(C)C	REAL300012075608	0	50	0.0	-28.77	402.91	9.55	-19.22
CSCC([NH2+]CC1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300012075609	0	30	0.0	-24.18	287.71	7.73	-16.45
COC1=CC(Br)=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075610	0	38	0.0	-27.37	331.98	6.81	-20.56
CSCC([NH2+]CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300012075611	0	30	0.0	-23.55	287.72	7.74	-15.81
COC1=CC2=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C2C=C1	REAL300012075612	0	40	0.0	-28.88	336.73	8.62	-20.26
CSCC([NH2+]CC1=CC(Br)=CS1)C(=O)[O-]	REAL300012075613	0	27	0.0	-25.81	272.54	6.83	-18.98
CCCCOC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OCC	REAL300012075614	0	50	0.0	-28.85	406.30	9.72	-19.13
CSCC([NH2+]CC1=CC=C(OC2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300012075615	0	43	0.0	-31.75	392.33	11.78	-19.97
CSCC([NH2+]CC1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300012075616	0	43	0.0	-29.19	354.19	9.09	-20.10
COC1=CC=CC(C[NH2+]C(CSC)C(=O)[O-])=C1OC(F)F	REAL300012075617	0	38	0.0	-29.15	328.12	6.65	-22.50
CCC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012075618	0	53	0.0	-27.93	435.22	12.92	-15.01
CSCC([NH2+]CC1=CC=C(CSC(F)F)O1)C(=O)[O-]	REAL300012075619	1	34	0.0	-26.22	320.47	7.60	-18.62
CSCC([NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1)C(=O)[O-]	REAL300012075620	0	50	0.0	-23.35	397.31	10.27	-13.08
CSCC([NH2+]CC1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300012075622	0	30	0.0	-27.69	287.87	7.76	-19.93
CSCC([NH2+]CC1=CC=C(OCC2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300012075623	0	47	0.0	-27.39	391.54	11.00	-16.39
CSCC([NH2+]CC1=CC=C(N2CCCCC2)C=C1)C(=O)[O-]	REAL300012075624	0	45	0.0	-26.79	354.20	8.36	-18.43
CCCCCCOC1=CC=CC(C[NH2+]C(CSC)C(=O)[O-])=C1	REAL300012075625	0	49	0.0	-24.66	396.21	10.40	-14.26
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1SC	REAL300012075626	0	38	0.0	-27.99	327.77	7.38	-20.61
CSCC([NH2+]CC1=CC=CC(OCCCC#N)=C1)C(=O)[O-]	REAL300012075627	0	41	0.0	-32.25	352.57	8.57	-23.68
CCCCCOC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OC	REAL300012075628	0	50	0.0	-29.81	405.95	9.58	-20.23
CCC(C)OC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OC	REAL300012075629	0	47	0.0	-28.54	378.13	8.56	-19.98
CCCCCCCOC1=CC=CC(C[NH2+]C(CSC)C(=O)[O-])=C1	REAL300012075630	0	52	0.0	-25.43	419.70	11.25	-14.18
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OCCCC#N	REAL300012075631	0	45	0.0	-35.18	383.81	8.53	-26.65
C=C(C)COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OC	REAL300012075632	0	45	0.0	-30.26	373.44	8.56	-21.70
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OCCC(C)C	REAL300012075633	0	50	0.0	-29.82	402.02	9.32	-20.50
C=CCC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC(OC)=C1O	REAL300012075634	0	42	0.0	-28.39	354.82	6.18	-22.21
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075635	0	39	0.0	-29.59	338.15	7.99	-21.60
CSCC([NH2+]CC1=C(OCC(F)(F)F)N(C)N=C1C)C(=O)[O-]	REAL300012075636	0	40	0.0	-24.91	356.26	5.55	-19.36
CCOC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012075637	0	44	0.0	-33.26	382.88	8.60	-24.66
CSCC([NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1)C(=O)[O-]	REAL300012075639	0	43	0.0	-30.49	346.05	5.85	-24.64
C=CCOC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1Cl	REAL300012075640	0	38	0.0	-30.99	341.14	8.46	-22.53
CSCC([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012075641	0	36	0.0	-26.97	324.97	8.06	-18.91
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012075642	0	42	0.0	-22.99	345.29	6.89	-16.10
CSCC([NH2+]CC1=CNN=C1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300012075644	0	40	0.0	-25.56	338.33	7.61	-17.95
CSCC([NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012075645	0	33	0.0	-28.45	315.41	8.53	-19.92
CSCC([NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012075646	0	33	0.0	-28.29	319.97	8.63	-19.66
CSCC([NH2+]CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300012075647	0	30	0.0	-21.53	292.86	8.09	-13.44
CSCC([NH2+]CC1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300012075648	0	33	0.0	-21.77	298.54	8.31	-13.46
CSCC([NH2+]CC1=CN(C(C)(C)C)N=C1C1=CC=CC=C1Cl)C(=O)[O-]	REAL300012075649	0	49	0.0	-32.87	406.05	10.95	-21.92
CSCC([NH2+]CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1)C(=O)[O-]	REAL300012075650	0	45	0.0	-30.01	389.61	10.79	-19.22
CSCC([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300012075651	0	34	0.0	-29.41	314.15	7.15	-22.26
CSCC([NH2+]CC1=C(Cl)N(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012075653	0	40	0.0	-23.80	355.24	8.59	-15.21
CSCC([NH2+]CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012075654	0	29	0.0	-26.75	275.03	5.85	-20.90
CSCC([NH2+]CC1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300012075655	0	35	0.0	-24.59	317.91	7.55	-17.04
CSCC([NH2+]CC1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012075656	0	40	0.0	-24.99	338.20	8.19	-16.80
CSCC([NH2+]CC1=CC(C)=C(Br)S1)C(=O)[O-]	REAL300012075657	0	30	0.0	-27.94	292.34	7.53	-20.41
CSCC([NH2+]CC1=CC=C(Br)C2=CC=CN=C12)C(=O)[O-]	REAL300012075658	0	35	0.0	-28.84	318.24	8.09	-20.75
COC1=CC=C(OC2=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C2)C=C1	REAL300012075659	0	45	0.0	-28.87	377.07	9.17	-19.70
CSCC([NH2+]CC1=CC=C(C2=CC(C)=CC(C)=C2)C=C1)C(=O)[O-]	REAL300012075660	0	46	0.0	-26.93	375.88	11.77	-15.16
CSCC([NH2+]CC1=CC=C(N2C=NC=N2)C(C)=C1)C(=O)[O-]	REAL300012075661	0	39	0.0	-34.10	335.23	10.63	-23.47
CSCC([NH2+]CC1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300012075662	0	37	0.0	-33.07	325.22	7.64	-25.43
CSCC([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1C)C(=O)[O-]	REAL300012075663	0	40	0.0	-28.11	356.00	9.41	-18.70
CSCC([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300012075664	0	44	0.0	-27.09	376.54	10.38	-16.71
CSCC([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012075665	0	41	0.0	-28.97	361.46	11.20	-17.77
CSCC([NH2+]CC1=CC(C)=C(C)C=C1OC(F)F)C(=O)[O-]	REAL300012075666	0	40	0.0	-27.65	338.25	7.94	-19.71
CSCC([NH2+]CC1=NC2=CC(Cl)=CC=C2N1C)C(=O)[O-]	REAL300012075668	0	36	0.0	-33.18	322.08	7.89	-25.29
CSCC([NH2+]CC1=C(Cl)C=CC=C1S(C)(=O)=O)C(=O)[O-]	REAL300012075669	1	36	0.0	-26.23	319.45	5.04	-21.19
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075670	0	39	0.0	-33.37	344.27	6.52	-26.85
CSCC([NH2+]CC1=CC=C(Br)C=C1SC(C)C)C(=O)[O-]	REAL300012075671	0	40	0.0	-25.39	351.99	9.88	-15.51
CSCC([NH2+]CC1=CC=C(Br)C=C1SC)C(=O)[O-]	REAL300012075672	0	34	0.0	-21.83	315.87	8.56	-13.27
CSCC([NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300012075673	0	40	0.0	-30.25	351.93	8.81	-21.44
CSCC([NH2+]CC1=CC=C(OC(F)F)C(Br)=C1)C(=O)[O-]	REAL300012075675	0	34	0.0	-30.33	320.52	7.34	-22.99
CSCC([NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1)C(=O)[O-]	REAL300012075676	0	43	0.0	-34.49	382.92	9.70	-24.79
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075677	0	44	0.0	-25.01	363.18	9.87	-15.14
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075678	0	44	0.0	-25.54	363.10	9.86	-15.68
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075679	0	43	0.0	-30.62	358.73	8.10	-22.52
CSCC([NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300012075680	0	41	0.0	-22.69	368.61	10.49	-12.20
CSCC([NH2+]CC1=CC=C(Br)C=C1N1CCOCC1)C(=O)[O-]	REAL300012075681	0	43	0.0	-27.30	365.73	7.23	-20.07
COC1=CC(Cl)=C(C[NH2+]C(CSC)C(=O)[O-])C=C1Cl	REAL300012075682	0	34	0.0	-26.20	317.00	7.40	-18.80
CSCC([NH2+]CC1=CN=C(C2=CC=CS2)S1)C(=O)[O-]	REAL300012075683	0	33	0.0	-27.66	315.76	7.12	-20.54
CSCC([NH2+]CC1=CN=C(C2=CSC=C2)S1)C(=O)[O-]	REAL300012075684	0	33	0.0	-26.68	316.11	7.00	-19.68
CSCC([NH2+]CC1=CN=C(C2=CC=C(C)O2)S1)C(=O)[O-]	REAL300012075685	0	36	0.0	-27.91	330.98	7.00	-20.91
CSCC([NH2+]CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300012075686	0	33	0.0	-25.60	296.95	8.32	-17.28
CSCC([NH2+]CC1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300012075687	0	30	0.0	-26.06	294.98	8.10	-17.96
CSCC([NH2+]CC1=CNN=C1C1=CC=CC=C1F)C(=O)[O-]	REAL300012075688	0	37	0.0	-26.82	321.80	6.97	-19.85
CSCC([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)C(=O)[O-]	REAL300012075689	0	39	0.0	-31.78	332.73	8.74	-23.04
CSCC([NH2+]CC1=NC=C(Br)C=C1Br)C(=O)[O-]	REAL300012075690	0	29	0.0	-21.62	291.20	6.20	-15.42
CSCC([NH2+]CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300012075691	0	30	0.0	-21.11	291.88	8.08	-13.03
COC1=C(Br)C=CC=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075692	0	34	0.0	-23.17	309.20	7.14	-16.03
CSCC([NH2+]CC1=CN(C)N=C1C1=CC=CS1)C(=O)[O-]	REAL300012075693	0	37	0.0	-28.87	319.35	7.22	-21.65
CSCC([NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1)C(=O)[O-]	REAL300012075694	0	44	0.0	-25.92	369.88	9.81	-16.11
COC1=CC(Br)=C(C[NH2+]C(CSC)C(=O)[O-])C(OC)=C1	REAL300012075695	0	38	0.0	-24.12	336.98	6.23	-17.89
CSCC([NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1)C(=O)[O-]	REAL300012075696	0	41	0.0	-24.45	361.98	10.37	-14.08
CSCC([NH2+]CC1=CC=C(OC2=CC=CC(Br)=C2)C=C1)C(=O)[O-]	REAL300012075697	0	41	0.0	-28.63	370.85	10.56	-18.07
CSCC([NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1)C(=O)[O-]	REAL300012075698	0	45	0.0	-25.35	382.65	8.28	-17.07
CSCC([NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1C)C(=O)[O-]	REAL300012075699	0	40	0.0	-28.12	360.56	9.52	-18.60
CSCC([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C(C)(C)C)C(=O)[O-]	REAL300012075700	0	49	0.0	-26.90	381.97	10.40	-16.50
CSCC([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1)C(=O)[O-]	REAL300012075701	1	37	0.0	-26.54	327.92	9.03	-17.51
CSCC([NH2+]CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012075702	0	30	0.0	-24.67	280.15	7.64	-17.03
CSCC([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300012075703	0	47	0.0	-29.43	399.73	11.58	-17.85
CSCC([NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1)C(=O)[O-]	REAL300012075704	0	40	0.0	-33.57	356.80	9.17	-24.40
CSCC([NH2+]CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012075705	0	30	0.0	-26.27	280.14	7.65	-18.62
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC(OC)=C1OC	REAL300012075706	0	42	0.0	-31.39	353.17	6.19	-25.20
CSCC([NH2+]CC1=CC=C(N2CCOCC2)C=C1)C(=O)[O-]	REAL300012075707	0	43	0.0	-27.49	343.95	5.87	-21.62
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012075708	0	51	0.0	-27.01	410.91	12.22	-14.79
CSCC([NH2+]CC1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300012075709	0	46	0.0	-27.48	372.77	9.43	-18.05
CCCCCCOC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012075710	0	49	0.0	-27.60	398.20	10.47	-17.13
CSCC([NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012075711	0	41	0.0	-30.96	351.27	10.00	-20.96
CCCOC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C(OCCC)=C1	REAL300012075712	0	50	0.0	-28.23	405.58	9.19	-19.04
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C(OC)=C1OC	REAL300012075713	0	42	0.0	-24.85	350.79	6.23	-18.62
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012075714	0	48	0.0	-30.46	401.36	10.27	-20.19
COC1=CC=C(Br)C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075715	0	34	0.0	-25.08	310.29	7.07	-18.01
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC(Br)=C1O	REAL300012075716	0	35	0.0	-31.04	321.93	4.85	-26.19
CSCC([NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012075717	0	40	0.0	-26.88	333.06	10.45	-16.43
COC1=C(C[NH2+]C(CSC)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012075718	0	40	0.0	-26.39	331.65	8.55	-17.84
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075719	0	42	0.0	-27.04	347.66	5.65	-21.39
CSCC([NH2+]CC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012075720	0	52	0.0	-28.44	434.92	14.27	-14.17
CSCC([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300012075721	0	40	0.0	-24.88	354.22	9.09	-15.79
CSCC([NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012075722	0	44	0.0	-26.90	372.12	10.38	-16.52
CSCC([NH2+]CC1=CC=CC=C1Br)C(=O)[O-]	REAL300012075723	0	30	0.0	-21.56	275.40	7.62	-13.94
CSCC([NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1)C(=O)[O-]	REAL300012075724	0	37	0.0	-32.09	341.39	8.91	-23.18
CSCC([NH2+]CC1=CC=CC=C1I)C(=O)[O-]	REAL300012075725	0	30	0.0	-20.94	280.69	8.05	-12.89
CSCC([NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F)C(=O)[O-]	REAL300012075726	0	38	0.0	-29.77	337.06	6.25	-23.52
CSCC([NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012075727	0	47	0.0	-37.31	381.87	10.28	-27.03
CSCC([NH2+]CC1=CC=C(N(C)CCC#N)C=C1)C(=O)[O-]	REAL300012075728	0	42	0.0	-30.90	352.72	8.90	-22.00
CSCC([NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300012075729	0	40	0.0	-25.70	340.07	8.78	-16.92
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OCC(N)=O	REAL300012075730	0	42	0.0	-37.20	356.19	4.19	-33.01
CCNC(=O)COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075731	0	48	0.0	-41.19	401.61	6.54	-34.65
COC1=CC2=C(C=C1C[NH2+]C(CSC)C(=O)[O-])OC(C)C2	REAL300012075732	0	42	0.0	-26.73	346.02	7.06	-19.67
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012075733	0	46	0.0	-38.98	391.75	4.04	-34.94
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012075734	0	42	0.0	-38.80	378.56	4.89	-33.91
CSCC([NH2+]CC1=CC=CC(I)=C1)C(=O)[O-]	REAL300012075736	0	30	0.0	-24.39	286.64	8.12	-16.27
CSCC([NH2+]CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012075737	0	30	0.0	-27.10	288.64	8.20	-18.90
CSCC([NH2+]CC1=CC(Br)=CC(Br)=C1)C(=O)[O-]	REAL300012075738	0	30	0.0	-26.67	302.53	8.25	-18.42
CSCC([NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300012075739	0	40	0.0	-27.27	355.94	7.95	-19.32
CSCC([NH2+]CC1=CC=CC=C1C1=CC=CC=C1C)C(=O)[O-]	REAL300012075740	0	43	0.0	-24.15	345.06	10.64	-13.51
CSCC([NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300012075741	0	36	0.0	-33.96	319.53	4.55	-29.41
CSCC([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300012075742	0	40	0.0	-27.38	349.80	10.97	-16.41
CSCC([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012075743	0	43	0.0	-27.61	362.88	8.62	-18.99
CSCC([NH2+]CC1=CC=C(Br)C=N1)C(=O)[O-]	REAL300012075744	0	29	0.0	-24.05	277.56	5.84	-18.21
CSCC([NH2+]CC1=CN=C(N2CCOCC2)S1)C(=O)[O-]	REAL300012075745	0	39	0.0	-28.14	334.95	4.39	-23.75
CSCC([NH2+]CC1=CC=C(OCC2=CN3C=CC=C(C)C3=N2)C=C1)C(=O)[O-]	REAL300012075747	0	50	0.0	-34.21	419.45	11.50	-22.71
CCOCC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OC	REAL300012075748	0	44	0.0	-28.67	362.44	7.24	-21.43
CSCC([NH2+]CC1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300012075750	0	33	0.0	-24.87	312.05	8.62	-16.25
CSCC([NH2+]CC1=CC=C(Br)C=C1C(F)(F)F)C(=O)[O-]	REAL300012075751	0	33	0.0	-29.62	308.75	8.71	-20.91
CSCC([NH2+]CC1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300012075752	0	30	0.0	-25.16	284.24	7.61	-17.55
CSCC([NH2+]CC1=CSC=C1Br)C(=O)[O-]	REAL300012075753	0	27	0.0	-21.04	267.14	6.54	-14.50
CSCC([NH2+]CC1=CC(F)=CC(Br)=C1)C(=O)[O-]	REAL300012075754	0	30	0.0	-27.85	288.97	7.76	-20.09
CSCC([NH2+]CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300012075755	0	30	0.0	-29.64	280.69	7.61	-22.03
CSCC([NH2+]CC1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300012075756	0	30	0.0	-32.30	287.43	7.70	-24.60
CSCC([NH2+]CC1=CSC(Cl)=C1Cl)C(=O)[O-]	REAL300012075757	0	27	0.0	-28.94	282.24	7.08	-21.86
CSCC([NH2+]CC1=CN=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012075758	0	29	0.0	-28.43	286.01	5.44	-22.99
CSCC([NH2+]CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300012075759	0	36	0.0	-32.85	321.55	4.61	-28.24
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075760	0	40	0.0	-28.04	333.77	8.67	-19.37
CSCC([NH2+]CC1=CN=C(C)N1C1=CC=CC=C1)C(=O)[O-]	REAL300012075761	0	40	0.0	-24.80	337.89	9.31	-15.49
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC2=CC=CC=C21	REAL300012075762	0	40	0.0	-27.88	335.33	8.69	-19.19
COC1=CC=CC2=C(C[NH2+]C(CSC)C(=O)[O-])C=CC=C12	REAL300012075763	0	40	0.0	-27.12	325.22	8.41	-18.71
CSCC([NH2+]CC1=CC=NN1C1=CC=CC=C1C)C(=O)[O-]	REAL300012075764	0	40	0.0	-26.09	333.42	8.93	-17.16
CSCC([NH2+]CC1=NC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012075765	0	29	0.0	-24.88	286.20	5.40	-19.48
CSCC([NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C(=O)[O-]	REAL300012075766	0	37	0.0	-29.36	324.78	5.39	-23.97
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C(Br)=C1	REAL300012075767	0	34	0.0	-21.84	304.62	6.87	-14.97
CSCC([NH2+]CC1=CC(Br)=C(C)C(Br)=C1)C(=O)[O-]	REAL300012075768	0	33	0.0	-27.00	318.85	8.77	-18.23
CSCC([NH2+]CC1=C(Br)C=C(C)S1)C(=O)[O-]	REAL300012075769	1	30	0.0	-21.55	290.39	7.47	-14.08
CSCC([NH2+]CC1=CC=CC(C(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012075770	0	45	0.0	-27.19	370.56	9.80	-17.39
CSCC([NH2+]CC1=C(Cl)C=CC=C1SC(C)C)C(=O)[O-]	REAL300012075771	0	40	0.0	-22.57	347.43	9.67	-12.90
CSCC([NH2+]CC1=CC=C2C(=C1)CCC(=O)N2C)C(=O)[O-]	REAL300012075772	0	41	0.0	-33.58	337.98	8.00	-25.58
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]C(CSC)C(=O)[O-])=C1	REAL300012075773	0	45	0.0	-23.06	384.46	10.34	-12.72
CSCC([NH2+]CC1=CC(C)=CC=C1OC(F)F)C(=O)[O-]	REAL300012075774	0	37	0.0	-25.42	320.16	7.40	-18.02
CSCC([NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1)C(=O)[O-]	REAL300012075775	0	36	0.0	-26.93	341.69	8.58	-18.35
CSCC([NH2+]CC1=CN=C(C2=CC=CC=C2F)S1)C(=O)[O-]	REAL300012075776	0	36	0.0	-29.12	328.39	8.29	-20.83
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075777	0	47	0.0	-24.22	384.46	10.53	-13.69
CSCC([NH2+]CC1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300012075778	0	41	0.0	-26.84	359.67	9.46	-17.38
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012075779	0	45	0.0	-33.87	386.72	7.40	-26.47
CSCC([NH2+]CC1=CC=NC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300012075780	0	35	0.0	-29.32	312.97	7.90	-21.42
CSCC([NH2+]CC1=CN=C(C2CCCC2)S1)C(=O)[O-]	REAL300012075781	1	39	0.0	-25.72	330.77	7.66	-18.06
CSCC([NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300012075782	0	36	0.0	-29.99	332.05	8.28	-21.71
CSCC([NH2+]CC1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300012075783	0	30	0.0	-26.19	294.98	8.10	-18.09
CSCC([NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300012075784	0	42	0.0	-27.95	370.44	9.61	-18.34
CSCC([NH2+]CC1=CC=C(OC(F)(F)F)C(Br)=C1)C(=O)[O-]	REAL300012075785	0	34	0.0	-26.89	325.27	7.49	-19.40
CSCC([NH2+]CC1=CC=C(C2=CN(C)N=C2)C=C1)C(=O)[O-]	REAL300012075786	0	40	0.0	-29.77	338.97	8.34	-21.43
CSCC([NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300012075787	0	41	0.0	-29.22	355.96	10.01	-19.21
CSCC([NH2+]CC1=CN(C)N=C1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300012075788	0	40	0.0	-26.30	345.48	8.26	-18.04
CSCC([NH2+]CC1=CN(C)N=C1C1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012075789	0	41	0.0	-31.97	360.40	8.58	-23.39
CSCC([NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012075790	0	44	0.0	-28.96	367.23	9.46	-19.50
CSCC([NH2+]CC1=CN=C(C2CCCO2)S1)C(=O)[O-]	REAL300012075791	0	37	0.0	-29.31	324.92	5.30	-24.01
CSCC([NH2+]CC1=CN(C2=CC=CC=C2C)N=N1)C(=O)[O-]	REAL300012075792	0	39	0.0	-34.54	327.68	7.58	-26.96
CSCC([NH2+]CC1=CC(Br)=NN1C)C(=O)[O-]	REAL300012075793	0	30	0.0	-30.30	283.60	5.14	-25.16
CSCC([NH2+]CC1=CC=C(C2=CN(C)N=C2)S1)C(=O)[O-]	REAL300012075794	0	37	0.0	-29.58	332.81	7.72	-21.86
CSCC([NH2+]CC1=CC=C2OCCCCOC2=C1)C(=O)[O-]	REAL300012075795	0	42	0.0	-31.54	340.34	7.97	-23.57
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075796	0	37	0.0	-26.10	323.68	7.83	-18.27
CSCC([NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C(=O)[O-]	REAL300012075797	0	30	0.0	-30.44	292.57	8.06	-22.38
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075798	0	41	0.0	-27.16	345.62	7.45	-19.71
CSCC([NH2+]CC1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300012075799	0	34	0.0	-25.38	309.92	6.90	-18.48
CSCC([NH2+]CC1=CC=NN1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300012075800	0	37	0.0	-26.25	317.68	7.85	-18.40
CSCC([NH2+]CC1=CC=C(C2=CC=CC=C2Br)C=C1)C(=O)[O-]	REAL300012075801	0	40	0.0	-28.85	357.48	11.15	-17.70
CSCC([NH2+]CC1=CC=C(C)C=C1C1=CN(C)N=C1)C(=O)[O-]	REAL300012075802	0	43	0.0	-30.43	356.02	9.19	-21.24
CSCC([NH2+]CC1=CC=C(C)C=C1C1=CC=NN1C)C(=O)[O-]	REAL300012075803	0	43	0.0	-28.19	352.24	8.40	-19.79
CSCC([NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)C(=O)[O-]	REAL300012075804	0	40	0.0	-32.58	357.49	9.25	-23.33
CSCC([NH2+]CC1=CC(Cl)=C(C)C=C1Br)C(=O)[O-]	REAL300012075805	0	33	0.0	-23.05	306.01	8.59	-14.46
CSCC([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012075806	0	40	0.0	-26.33	359.18	9.01	-17.32
CSCC([NH2+]CC1=CN(CCC#N)N=C1C1=CC=NC=C1)C(=O)[O-]	REAL300012075807	0	43	0.0	-37.20	377.30	7.84	-29.36
CSCC([NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1)C(=O)[O-]	REAL300012075808	0	36	0.0	-24.86	321.93	10.69	-14.17
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CSC)C(=O)[O-])=C1	REAL300012075809	0	40	0.0	-27.88	337.38	7.56	-20.32
COCCOCC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012075810	0	44	0.0	-29.04	369.40	6.99	-22.05
CSCC([NH2+]CC1=C(C)C2=CC=CC(Cl)=C2S1)C(=O)[O-]	REAL300012075811	0	36	0.0	-23.54	327.75	9.51	-14.03
CSCC([NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012075812	0	44	0.0	-28.56	382.28	9.44	-19.12
CSCC([NH2+]CC1=CC=C(F)C=C1I)C(=O)[O-]	REAL300012075813	0	30	0.0	-20.74	286.87	8.07	-12.67
CSCC([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300012075814	0	33	0.0	-33.17	300.45	6.20	-26.97
CSCC([NH2+]CC1=CN(C)N=C1C1=CC=C(C)O1)C(=O)[O-]	REAL300012075815	0	40	0.0	-24.70	342.88	7.46	-17.24
CSCC([NH2+]CC1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300012075816	0	29	0.0	-22.62	288.19	6.25	-16.37
CSCC([NH2+]CC1=CC(OC(F)F)=CC=C1Br)C(=O)[O-]	REAL300012075817	0	34	0.0	-25.95	309.76	7.08	-18.87
CSCC([NH2+]CC1=CN=C(C2=CC=C(C)C(C)=C2)S1)C(=O)[O-]	REAL300012075818	0	42	0.0	-27.40	362.25	9.26	-18.14
CSCC([NH2+]CC1=CN(C2=CC=CC=C2F)N=C1C)C(=O)[O-]	REAL300012075819	0	40	0.0	-31.36	344.48	8.99	-22.37
CSCC([NH2+]CC1=CN(C2=CC=CC=C2Br)N=C1C)C(=O)[O-]	REAL300012075820	0	40	0.0	-28.33	353.84	9.60	-18.73
CSCC([NH2+]CC1=CN(C2=CC=CC=C2Cl)N=C1C)C(=O)[O-]	REAL300012075821	0	40	0.0	-29.57	352.20	9.53	-20.04
CSCC([NH2+]CC1=CN(C2=CC=C(C)C=C2)N=C1C)C(=O)[O-]	REAL300012075822	0	43	0.0	-27.44	358.67	9.51	-17.93
CSCC([NH2+]CC1=CN(C2=CC=CC(Br)=C2)N=C1C)C(=O)[O-]	REAL300012075823	0	40	0.0	-28.57	360.98	9.49	-19.08
COC1=CC(OC)=C(C[NH2+]C(CSC)C(=O)[O-])C=C1F	REAL300012075824	0	38	0.0	-27.32	322.67	5.76	-21.56
COC1=CC(F)=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075825	0	38	0.0	-30.73	324.06	6.35	-24.38
CSCC([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1)C(=O)[O-]	REAL300012075826	0	44	0.0	-27.54	382.26	10.61	-16.93
CSCC([NH2+]CC1=CC=CC(Br)=C1SC(C)(C)C)C(=O)[O-]	REAL300012075827	0	43	0.0	-24.95	361.86	10.11	-14.84
CSCC([NH2+]CC1=CN(C2=CC=CC(C)=C2)N=C1C)C(=O)[O-]	REAL300012075828	0	43	0.0	-27.70	358.80	9.49	-18.21
CSCC([NH2+]CC1=CC2=CC(Br)=CC=C2O1)C(=O)[O-]	REAL300012075829	1	33	0.0	-26.09	310.43	8.22	-17.87
CSCC([NH2+]CC1=CC=CC(F)=C1OC(F)F)C(=O)[O-]	REAL300012075830	0	34	0.0	-29.96	305.46	6.79	-23.17
CSCC([NH2+]CC1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300012075831	0	34	0.0	-27.06	305.15	6.80	-20.26
CSCC([NH2+]CC1=CN(C)N=C1C1=CN(C)N=C1)C(=O)[O-]	REAL300012075832	0	40	0.0	-27.29	341.96	6.03	-21.26
CSCC([NH2+]CC1=CC=C2CCN(C(=O)OC(C)(C)C)CC2=C1)C(=O)[O-]	REAL300012075833	0	54	0.0	-30.88	425.85	10.21	-20.67
CSCC([NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300012075834	0	36	0.0	-26.24	341.70	8.58	-17.66
CSCC([NH2+]CC1=CC=C(F)C(F)=C1N(C)C)C(=O)[O-]	REAL300012075835	0	38	0.0	-24.84	320.51	7.16	-17.68
CSCC([NH2+]CC1=CNN=C1C1=CC=C(Br)S1)C(=O)[O-]	REAL300012075836	0	34	0.0	-23.27	322.42	6.84	-16.43
CSCC([NH2+]CC1=CC(Cl)=C(OC(C)C)C=C1Cl)C(=O)[O-]	REAL300012075837	0	40	0.0	-24.13	358.84	8.94	-15.19
CSCC([NH2+]CC1=CC=C(OC2CCOC2)C=C1)C(=O)[O-]	REAL300012075838	0	42	0.0	-29.21	344.19	6.68	-22.53
CSCC([NH2+]CC1=CC(F)=C(N(C)C)C=C1F)C(=O)[O-]	REAL300012075839	0	38	0.0	-27.74	324.26	6.61	-21.13
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CSC)C(=O)[O-])=C1	REAL300012075840	0	44	0.0	-27.16	360.55	8.77	-18.39
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012075841	0	37	0.0	-28.57	328.17	7.33	-21.24
C=CCOC1=C(Cl)C=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075842	0	42	0.0	-30.65	373.41	8.40	-22.25
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC1CC1	REAL300012075843	0	42	0.0	-29.71	349.73	7.90	-21.81
CSCC([NH2+]CC1=CC(Cl)=CC=C1I)C(=O)[O-]	REAL300012075844	0	30	0.0	-20.88	297.20	8.52	-12.36
COCC(C)OC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012075845	0	44	0.0	-28.82	362.44	7.30	-21.52
CSCC([NH2+]CC1=CN(C)N=C1CN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300012075846	0	47	0.0	-31.19	403.24	8.03	-23.16
CSCC([NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012075847	0	44	0.0	-25.57	380.88	10.68	-14.89
CSCC([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C(=O)[O-]	REAL300012075848	0	37	0.0	-28.32	328.22	9.72	-18.60
CSCC([NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300012075849	0	43	0.0	-26.98	359.37	9.34	-17.64
CSCC([NH2+]CC1=CC(C(F)(F)F)=C(Br)C=C1F)C(=O)[O-]	REAL300012075850	0	33	0.0	-26.23	321.26	8.61	-17.62
CSCC([NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F)C(=O)[O-]	REAL300012075851	0	37	0.0	-30.46	328.39	7.67	-22.79
CSCC([NH2+]CC1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300012075852	0	39	0.0	-28.60	353.34	9.48	-19.12
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1C(C)(C)C	REAL300012075853	0	46	0.0	-25.48	359.53	9.01	-16.47
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075854	0	38	0.0	-26.57	333.67	6.32	-20.25
CSCC([NH2+]CC1=CC(C)=C(Br)C=N1)C(=O)[O-]	REAL300012075855	0	32	0.0	-23.13	294.75	6.38	-16.75
CSCC([NH2+]CC1=CC(C)=C(F)C=C1Br)C(=O)[O-]	REAL300012075856	0	33	0.0	-21.51	302.07	8.32	-13.19
CSCC([NH2+]CC1=C(O)C=CC=C1Br)C(=O)[O-]	REAL300012075857	0	31	0.0	-27.14	287.52	4.75	-22.39
CSCC([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C(=O)[O-]	REAL300012075859	0	36	0.0	-37.04	320.16	6.99	-30.05
CSCC([NH2+]CC1=CC=CC=C1CC(F)(F)F)C(=O)[O-]	REAL300012075860	0	36	0.0	-26.84	310.06	8.67	-18.17
CSCC([NH2+]CC1=CN(C)N=C1Br)C(=O)[O-]	REAL300012075861	0	30	0.0	-31.14	284.37	5.39	-25.75
CSCC([NH2+]CC1=NC=C(Br)C=C1F)C(=O)[O-]	REAL300012075862	0	29	0.0	-24.70	281.60	5.83	-18.87
COC1=CC(Cl)=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OC	REAL300012075863	0	38	0.0	-28.19	330.14	6.75	-21.44
CSCC([NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300012075864	0	36	0.0	-28.76	321.87	8.89	-19.87
CSCC([NH2+]CC1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012075865	0	50	0.0	-28.53	406.75	7.48	-21.05
CCOC(=O)C1=C(C)C(C[NH2+]C(CSC)C(=O)[O-])=C(C)N1	REAL300012075866	0	43	0.0	-31.03	358.92	7.41	-23.62
CSCC([NH2+]CC1=C(F)C=CC(C(F)(F)F)=C1Br)C(=O)[O-]	REAL300012075867	0	33	0.0	-26.08	317.34	8.44	-17.64
CSCC([NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1)C(=O)[O-]	REAL300012075868	0	40	0.0	-29.01	351.89	11.00	-18.01
CSCC([NH2+]CC1=CC(Br)=C(C)C=C1Br)C(=O)[O-]	REAL300012075869	0	33	0.0	-22.87	310.05	8.68	-14.19
CSCC([NH2+]CC1=CC=C(Br)C(F)=C1F)C(=O)[O-]	REAL300012075870	0	30	0.0	-32.67	290.28	7.74	-24.93
CSCC([NH2+]CC1=C(Br)SC=C1)C(=O)[O-]	REAL300012075871	0	27	0.0	-21.59	267.95	6.67	-14.92
CCOC1=CC(C[NH2+]C(CSC)C(=O)[O-])=C(F)C=C1OC	REAL300012075872	0	41	0.0	-29.57	343.91	7.19	-22.38
COC1=NC=C(Br)C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075873	0	33	0.0	-27.71	308.37	4.45	-23.26
CSCC([NH2+]CC1=CC=CN=C1Br)C(=O)[O-]	REAL300012075874	0	29	0.0	-28.28	265.72	5.63	-22.65
CSCC([NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300012075875	0	44	0.0	-30.97	380.24	6.71	-24.26
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=C(F)C=C1Br	REAL300012075876	0	34	0.0	-29.27	313.25	7.04	-22.23
CSCC([NH2+]CC1=CC=CC(Br)=C1Cl)C(=O)[O-]	REAL300012075877	0	30	0.0	-28.52	289.85	7.97	-20.55
CSCC([NH2+]CC1=CC=CC(F)=C1OC(F)(F)F)C(=O)[O-]	REAL300012075878	0	34	0.0	-23.62	310.94	7.03	-16.59
CSCC([NH2+]CC1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300012075879	0	40	0.0	-25.06	335.17	8.07	-16.99
CSCC([NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1)C(=O)[O-]	REAL300012075880	0	44	0.0	-31.83	354.90	8.03	-23.80
CSCC([NH2+]CC1=CC=C(OC(F)F)C=C1F)C(=O)[O-]	REAL300012075881	0	34	0.0	-24.93	303.66	6.62	-18.31
CSCC([NH2+]CC1=CC=C(C)C(Br)=C1C)C(=O)[O-]	REAL300012075882	0	36	0.0	-24.41	311.96	8.80	-15.61
CSCC([NH2+]CC1=NC=CC(C)=C1Br)C(=O)[O-]	REAL300012075883	0	32	0.0	-24.36	290.49	6.27	-18.09
CSCC([NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)C=C1)C(=O)[O-]	REAL300012075884	0	47	0.0	-28.15	382.66	7.35	-20.80
CSCC([NH2+]CC1=CN(C)N=C1C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300012075885	0	40	0.0	-30.95	350.89	8.29	-22.66
CSCC([NH2+]CC1=CC(Br)=CC(F)=C1O)C(=O)[O-]	REAL300012075887	1	31	0.0	-27.67	298.40	4.98	-22.69
CSCC([NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012075888	0	40	0.0	-28.12	365.34	8.71	-19.41
CSCC([NH2+]CC1=C2CSCCC2=NN1C)C(=O)[O-]	REAL300012075889	0	38	0.0	-26.81	324.83	6.72	-20.09
CCN1C=C(C[NH2+]C(CSC)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012075890	0	43	0.0	-28.83	361.17	9.06	-19.77
COCC1=C(C)C=C(C)C(C[NH2+]C(CSC)C(=O)[O-])=C1C	REAL300012075891	0	46	0.0	-24.90	362.99	8.27	-16.63
CSCC([NH2+]CC1=CC=C(OC2=CC=C(F)C(C)=C2)C=C1Cl)C(=O)[O-]	REAL300012075892	0	44	0.0	-24.44	390.66	11.16	-13.28
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C(Cl)=C1	REAL300012075893	0	47	0.0	-28.09	403.55	11.93	-16.16
CSCC([NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300012075894	0	41	0.0	-25.07	368.85	10.44	-14.63
CSCC([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300012075895	0	44	0.0	-24.07	388.56	11.12	-12.95
CSCC([NH2+]CC1=CC=C(Cl)C=C1OC1=CC=C(F)C(C)=C1)C(=O)[O-]	REAL300012075896	0	44	0.0	-29.71	390.78	11.11	-18.60
CSCC([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012075897	0	41	0.0	-26.30	377.18	10.58	-15.72
CSCC([NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300012075898	0	44	0.0	-30.18	385.46	11.17	-19.01
CSCC([NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300012075899	0	41	0.0	-28.44	371.36	10.53	-17.91
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075900	0	47	0.0	-27.07	404.67	11.83	-15.24
CSCC([NH2+]CC1=CC(Br)=C(C)S1)C(=O)[O-]	REAL300012075901	0	30	0.0	-25.69	293.43	7.60	-18.09
CSCC([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300012075902	0	40	0.0	-28.28	352.21	11.00	-17.28
CSCC([NH2+]CC1=CC=CC(F)=C1I)C(=O)[O-]	REAL300012075903	0	30	0.0	-28.08	283.60	7.97	-20.11
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012075904	0	48	0.0	-30.14	396.80	9.76	-20.38
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012075905	0	44	0.0	-30.74	373.07	8.09	-22.65
CSCC([NH2+]CC1=C(C)C=CC(Br)=C1F)C(=O)[O-]	REAL300012075906	0	33	0.0	-22.12	301.01	8.11	-14.01
CCC1=CC(OC2=CC=C(F)C=C2C[NH2+]C(CSC)C(=O)[O-])=CC=C1Cl	REAL300012075907	0	47	0.0	-27.42	410.89	11.85	-15.57
CSCC([NH2+]CC1=CC=CC=C1OC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300012075908	0	41	0.0	-24.24	378.18	10.85	-13.39
CSCC([NH2+]CC1=CC=C(Cl)C=C1OC1=CC=C(C)C=C1C)C(=O)[O-]	REAL300012075909	0	47	0.0	-22.59	404.51	11.76	-10.83
COC1=CC=C(CN2C=C(C[NH2+]C(CSC)C(=O)[O-])N=N2)C=C1	REAL300012075910	0	43	0.0	-40.43	368.52	6.73	-33.70
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C(F)=C1OC	REAL300012075911	0	38	0.0	-25.32	326.89	6.36	-18.96
COC(=O)C1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C(F)=C1	REAL300012075912	0	36	0.0	-25.99	319.20	7.71	-18.28
CSCC([NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012075913	0	40	0.0	-31.87	346.39	7.41	-24.46
CSCC([NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012075914	0	44	0.0	-28.38	372.12	10.38	-18.00
CSCC([NH2+]CC1=CC=CC=C1OCC(F)F)C(=O)[O-]	REAL300012075915	0	37	0.0	-33.23	324.22	7.69	-25.54
CSCC([NH2+]CC1=CC(Br)=C(Br)S1)C(=O)[O-]	REAL300012075916	0	27	0.0	-27.04	292.92	7.51	-19.53
CSCC([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300012075917	0	41	0.0	-26.45	377.23	10.57	-15.88
CSCC([NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300012075918	0	41	0.0	-27.37	367.67	10.15	-17.22
CSCC([NH2+]CC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012075919	0	41	0.0	-23.59	378.92	10.85	-12.74
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075920	0	48	0.0	-22.89	396.82	10.43	-12.46
CSCC([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012075921	0	41	0.0	-24.15	368.62	10.41	-13.74
CSCC([NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012075922	0	41	0.0	-22.55	378.82	10.86	-11.69
CSCC([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300012075923	0	41	0.0	-23.24	376.59	10.64	-12.60
CSCC([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(SC)C=C1)C(=O)[O-]	REAL300012075924	0	45	0.0	-25.24	394.02	10.98	-14.26
CSCC([NH2+]CC1=C(C)N(C2=CC=CC=C2C)N=C1C)C(=O)[O-]	REAL300012075925	0	46	0.0	-25.95	373.91	10.03	-15.92
CSCC([NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)C(=O)[O-]	REAL300012075929	0	38	0.0	-35.34	336.16	3.64	-31.70
CSCC([NH2+]CC(C)(C)CN(C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012075930	0	50	0.0	-26.57	383.04	9.17	-17.40
CSCC([NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1)C(=O)[O-]	REAL300012075931	0	44	0.0	-32.26	390.12	10.49	-21.77
CSCC([NH2+]CC1=C(C)N=C2SC(C)=NN21)C(=O)[O-]	REAL300012075932	0	35	0.0	-31.67	314.29	6.21	-25.46
CSCC([NH2+]CC1=C(C(C)C)N=C2SC(C)=NN21)C(=O)[O-]	REAL300012075933	0	41	0.0	-26.15	357.15	7.58	-18.57
CSCC([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300012075934	0	35	0.0	-25.44	312.60	7.95	-17.49
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012075935	0	47	0.0	-31.99	395.48	7.93	-24.06
CSCC([NH2+]CC1=NC2=CC=C(Br)C=C2S1)C(=O)[O-]	REAL300012075936	1	32	0.0	-23.67	311.82	7.08	-16.59
CSCC([NH2+]CC1=CC=C(N(C)C)C=C1C(F)(F)F)C(=O)[O-]	REAL300012075937	0	41	0.0	-30.37	341.91	8.57	-21.80
CSCC([NH2+]CC(C)=CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300012075938	0	40	0.0	-25.62	343.11	9.72	-15.90
CSCC([NH2+]CC1=C(Cl)N(C2=CC=CC=N2)N=C1C)C(=O)[O-]	REAL300012075939	0	39	0.0	-31.44	351.08	8.68	-22.76
CSCC([NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1)C(=O)[O-]	REAL300012075940	0	49	0.0	-28.11	397.04	10.42	-17.69
CSCC([NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300012075941	0	33	0.0	-23.63	319.86	8.38	-15.25
CSCC([NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1)C(=O)[O-]	REAL300012075942	0	36	0.0	-37.86	327.87	7.51	-30.35
CSCC([NH2+]CC1=CN2C=CC(Br)=CC2=N1)C(=O)[O-]	REAL300012075943	0	33	0.0	-26.03	309.56	8.20	-17.83
CSCC([NH2+]CC(C)=CC1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300012075944	0	41	0.0	-28.14	345.50	8.43	-19.71
CSCC([NH2+]CC1=CC(I)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012075945	0	32	0.0	-32.62	315.94	8.80	-23.82
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CSC)C(=O)[O-]	REAL300012075946	0	44	0.0	-27.63	357.96	8.65	-18.98
CSCC([NH2+]CC1=CC=CC=C1C1=CC=NN1C)C(=O)[O-]	REAL300012075947	0	40	0.0	-23.56	332.90	7.92	-15.64
CSCC([NH2+]CC1=CON=C1CC1=CC=CC=C1)C(=O)[O-]	REAL300012075948	0	39	0.0	-29.38	334.15	8.73	-20.65
COC1=CC=C(N2C=C(C[NH2+]C(CSC)C(=O)[O-])C=N2)C=C1	REAL300012075949	0	41	0.0	-33.26	349.59	7.59	-25.67
CSCC([NH2+]CC1=CC=C(N(C)CC2=CC=CS2)C=C1)C(=O)[O-]	REAL300012075950	0	45	0.0	-27.29	382.73	10.51	-16.78
CSCC([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C(=O)[O-]	REAL300012075951	0	32	0.0	-26.64	299.36	5.01	-21.63
CSCC([NH2+]CC1=CC=C(N2CCCCC2)C(Br)=C1)C(=O)[O-]	REAL300012075952	0	45	0.0	-27.71	376.38	9.49	-18.22
CSCC([NH2+]CC1=CC=NC=C1Br)C(=O)[O-]	REAL300012075953	0	29	0.0	-27.24	269.28	5.86	-21.38
CSCC([NH2+]CC1=CC=C(S(C)(=O)=O)S1)C(=O)[O-]	REAL300012075954	0	33	0.0	-32.19	313.04	3.72	-28.47
CSCC([NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1)C(=O)[O-]	REAL300012075955	0	50	0.0	-25.36	404.50	11.02	-14.34
CSCC([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1F)C(=O)[O-]	REAL300012075956	0	35	0.0	-37.01	317.61	2.03	-34.98
CSCC([NH2+]CC1=CN=CC(Br)=C1C)C(=O)[O-]	REAL300012075957	0	32	0.0	-26.38	286.61	6.33	-20.05
COC1=CC=C(C2=CC(C[NH2+]C(CSC)C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300012075958	0	46	0.0	-34.10	395.18	6.10	-28.00
CSCC([NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21)C(=O)[O-]	REAL300012075959	0	44	0.0	-26.54	380.28	10.20	-16.34
CSCC([NH2+]CC1=CN(CC2CCOC2)N=N1)C(=O)[O-]	REAL300012075960	0	40	0.0	-38.06	333.31	4.47	-33.59
CSCC([NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C(=O)[O-]	REAL300012075961	0	50	0.0	-28.84	400.88	5.95	-22.89
CSCC([NH2+]CC(CC(F)F)NC(=O)OC(C)(C)C)C(=O)[O-]	REAL300012075962	0	46	0.0	-30.93	367.85	5.87	-25.06
CSCC([NH2+]CC1=CN(CC2CCCO2)N=N1)C(=O)[O-]	REAL300012075963	0	40	0.0	-36.60	333.86	4.61	-31.99
CSCC([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300012075964	0	35	0.0	-33.72	313.08	1.98	-31.74
CSCC([NH2+]CC1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300012075966	0	33	0.0	-25.94	293.15	8.14	-17.80
CSCC([NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300012075967	0	41	0.0	-28.39	353.98	9.95	-18.44
CSCC([NH2+]CC1=CC=CC=C1N1CCCCC1)C(=O)[O-]	REAL300012075968	0	45	0.0	-22.21	354.87	9.13	-13.08
CSCC([NH2+]CC1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300012075969	0	29	0.0	-24.39	285.59	5.15	-19.24
CSCC([NH2+]CC1=CC(Br)=CC=C1Br)C(=O)[O-]	REAL300012075970	0	30	0.0	-21.70	296.42	8.19	-13.51
CSCC([NH2+]CC1=CC=C(Cl)C(C)=C1Cl)C(=O)[O-]	REAL300012075971	0	33	0.0	-22.38	306.36	8.56	-13.82
CSCC([NH2+]CC1=CC(C)=C(I)C=C1C)C(=O)[O-]	REAL300012075972	0	36	0.0	-24.67	317.73	9.12	-15.55
CSCC([NH2+]CC1=CC(C#N)=CC=C1Br)C(=O)[O-]	REAL300012075973	0	31	0.0	-27.33	291.28	7.90	-19.43
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075974	0	43	0.0	-35.11	362.25	8.59	-26.52
COC(=O)COC1=CC=CC=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012075975	0	40	0.0	-34.64	344.12	7.99	-26.65
COC1=CC=C2SC(C[NH2+]C(CSC)C(=O)[O-])=CC2=C1	REAL300012075976	0	37	0.0	-26.66	326.88	7.85	-18.81
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012075977	0	46	0.0	-31.31	373.11	8.87	-22.44
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012075978	0	43	0.0	-36.63	353.72	7.96	-28.67
CSCC([NH2+]CC1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300012075979	0	34	0.0	-27.22	316.08	8.56	-18.66
CSCC([NH2+]CC1=CC=C(N2C=CC(C)=N2)C=C1C)C(=O)[O-]	REAL300012075980	0	43	0.0	-28.72	354.56	9.35	-19.37
CSCC([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300012075981	0	36	0.0	-27.54	330.07	8.91	-18.63
CSCC([NH2+]CC1=CC=C(N2C=C(Cl)C=N2)C=C1C)C(=O)[O-]	REAL300012075982	0	40	0.0	-27.08	349.22	9.33	-17.75
CCC1=CC(Br)=C(C[NH2+]C(CSC)C(=O)[O-])S1	REAL300012075983	1	33	0.0	-22.31	313.89	8.32	-13.99
CSCC([NH2+]CC1=CC=C(N2C=C(Cl)C(C)=N2)C=C1)C(=O)[O-]	REAL300012075984	0	40	0.0	-31.60	355.76	9.31	-22.29
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CSC)C(=O)[O-])O2)N1	REAL300012075985	1	37	0.0	-29.03	329.85	5.87	-23.16
CSCC([NH2+]CC(C)(C)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012075986	0	39	0.0	-28.13	330.22	9.43	-18.70
CSCC([NH2+]CC1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300012075987	0	30	0.0	-27.39	299.29	8.19	-19.20
CSCC([NH2+]CC1=CC=CC=C1C1=CC=C(C)C=C1C)C(=O)[O-]	REAL300012075988	0	46	0.0	-22.13	375.41	11.76	-10.37
CSCC([NH2+]CC1=CC=C(N2CCN(C(=O)OC(C)(C)C)CC2)O1)C(=O)[O-]	REAL300012075989	1	56	0.0	-33.41	442.61	7.08	-26.33
CSCC([NH2+]CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C(=O)[O-]	REAL300012075991	0	50	0.0	-30.45	408.74	7.55	-22.90
COC(=O)C1=C2COCCN2C(C[NH2+]C(CSC)C(=O)[O-])=C1	REAL300012075992	0	42	0.0	-29.32	354.24	6.46	-22.86
CSCC([NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300012075993	0	47	0.0	-32.33	375.68	9.03	-23.30
CSCC([NH2+]CC1=CC=C(N2C=CN=C2)C=C1C)C(=O)[O-]	REAL300012075994	0	40	0.0	-29.89	330.23	9.95	-19.94
CSCC([NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C(=O)[O-]	REAL300012075995	0	33	0.0	-30.10	318.84	8.79	-21.31
CSCC([NH2+]CC1=CNN=C1C1=CC=C(Cl)O1)C(=O)[O-]	REAL300012075996	0	34	0.0	-30.49	312.15	6.38	-24.11
CSCC([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1Br)C(=O)[O-]	REAL300012075997	0	35	0.0	-33.98	324.76	2.47	-31.51
CSCC([NH2+]CC1=C(Cl)C=CC=C1Br)C(=O)[O-]	REAL300012075999	0	30	0.0	-22.89	292.98	8.00	-14.89
CSCC([NH2+]CC1=CC=C(F)C(Br)=C1F)C(=O)[O-]	REAL300012076000	0	30	0.0	-32.26	289.69	7.72	-24.54
CSCC([NH2+]CC1=CN(CC2=CC=CC=C2)N=N1)C(=O)[O-]	REAL300012076001	0	39	0.0	-37.05	337.01	7.36	-29.69
CSCC([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300012076002	0	50	0.0	-31.31	383.68	8.05	-23.26
CSCC([NH2+]CC1=NC=C(Br)C=C1C)C(=O)[O-]	REAL300012076003	0	32	0.0	-22.17	290.44	6.33	-15.84
CSCC([NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C(=O)[O-]	REAL300012076004	0	36	0.0	-31.07	334.73	5.02	-26.05
CSCC([NH2+]CC1=CC=C(C)C(OC(F)F)=C1)C(=O)[O-]	REAL300012076005	0	37	0.0	-29.71	318.19	7.35	-22.36
CSCC([NH2+]CC1=CC(Br)=C(C)N=C1Cl)C(=O)[O-]	REAL300012076006	0	32	0.0	-26.11	303.37	6.71	-19.40
CSCC([NH2+]CC1=C(S(C)(=O)=O)N(C)N=C1)C(=O)[O-]	REAL300012076007	0	36	0.0	-32.58	312.74	2.42	-30.16
CCOC1=CC(Br)=CC(F)=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012076008	0	37	0.0	-24.20	337.89	8.01	-16.19
CSCC([NH2+]CC1=C(S(C)(=O)=O)SC=C1)C(=O)[O-]	REAL300012076009	0	33	0.0	-27.57	304.23	4.10	-23.47
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C2)O1	REAL300012076010	0	47	0.0	-31.68	407.74	9.22	-22.46
CSCC([NH2+]CC1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300012076011	0	33	0.0	-25.30	310.95	8.09	-17.21
CSCC([NH2+]CC1=CN(C)N=C1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300012076012	0	40	0.0	-32.30	345.80	8.29	-24.01
CSCC([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300012076013	0	34	0.0	-23.98	312.40	6.90	-17.08
CSCC([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300012076014	0	36	0.0	-26.56	332.06	8.97	-17.59
CSCC([NH2+]CC1=CC=C(N2C=CN=C2C)C=C1C)C(=O)[O-]	REAL300012076015	0	43	0.0	-30.01	354.05	10.04	-19.97
CSCC([NH2+]CC1=CC=C(N2C=NC(C)=C2C)C=C1)C(=O)[O-]	REAL300012076016	0	43	0.0	-31.51	356.58	10.64	-20.87
CSCC([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C(=O)[O-]	REAL300012076017	0	44	0.0	-25.24	354.92	11.06	-14.18
CSCC([NH2+]CC1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300012076018	0	40	0.0	-27.75	338.65	8.14	-19.61
CSCC([NH2+]CC1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300012076019	0	33	0.0	-25.72	316.68	9.13	-16.59
CSCC([NH2+]CC1=CN(C)N=C1C1=CC=CC=C1Br)C(=O)[O-]	REAL300012076020	0	40	0.0	-33.72	350.32	9.13	-24.59
CSCC([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C(=O)[O-]	REAL300012076021	0	40	0.0	-24.30	333.11	9.09	-15.21
CSCC([NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012076022	0	37	0.0	-26.55	338.17	7.57	-18.98
CSCC([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1C)C(=O)[O-]	REAL300012076023	0	43	0.0	-29.38	373.99	9.75	-19.63
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012076024	0	37	0.0	-23.62	325.59	7.82	-15.80
CSCC([NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012076025	0	37	0.0	-27.87	333.52	7.40	-20.47
CSCC([NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300012076026	0	37	0.0	-27.36	323.27	7.02	-20.34
CSCC([NH2+]CC1=C(Br)C=CC=C1Br)C(=O)[O-]	REAL300012076027	0	30	0.0	-21.11	291.85	7.93	-13.18
CSCC([NH2+]CC1=C(Br)C=CC=C1OC(F)F)C(=O)[O-]	REAL300012076028	0	34	0.0	-25.10	315.75	7.17	-17.93
CSCC([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012076029	0	37	0.0	-26.06	334.72	8.58	-17.48
CSCC([NH2+]CC1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300012076030	0	30	0.0	-24.77	291.86	7.70	-17.07
COC1=C(C[NH2+]C(CSC)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012076031	0	46	0.0	-24.93	354.62	8.82	-16.11
CSCC([NH2+]CC1=NC(Br)=CN1C)C(=O)[O-]	REAL300012076032	0	30	0.0	-33.97	283.06	5.97	-28.00
CSCC([NH2+]CC1=CC(C(C)(C)OCC2=CC=CC=C2)=CC=C1F)C(=O)[O-]	REAL300012076033	0	53	0.0	-26.54	429.07	11.84	-14.70
CSCC([NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C(=O)[O-]	REAL300012076034	0	36	0.0	-26.08	316.70	6.14	-19.94
CSCC([NH2+]CC1=CC2=CC=CC=C2N(C)C1=O)C(=O)[O-]	REAL300012076035	0	39	0.0	-38.91	327.34	7.87	-31.04
CSCC([NH2+]CC1=C(C)C=C(C)C(Br)=C1C)C(=O)[O-]	REAL300012076036	0	39	0.0	-24.96	325.48	9.06	-15.90
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012076037	0	40	0.0	-29.68	357.05	7.87	-21.81
CSCC([NH2+]CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012076038	0	47	0.0	-29.81	382.94	7.34	-22.47
CSCC([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C(=O)[O-]	REAL300012076039	0	36	0.0	-27.43	321.78	7.81	-19.62
CCCN1N=C(C)C(C[NH2+]C(CSC)C(=O)[O-])=C1Cl	REAL300012076040	0	39	0.0	-22.78	340.31	7.30	-15.48
COC1=CC=C(Br)C(F)=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012076041	0	34	0.0	-24.38	314.00	7.02	-17.36
CSCC([NH2+]CC1=C(F)C=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300012076042	0	33	0.0	-22.70	318.91	8.44	-14.26
CSCC([NH2+]CC1=C(F)C=C(C#N)C=C1Br)C(=O)[O-]	REAL300012076043	0	31	0.0	-26.91	304.13	7.92	-18.99
CSCC([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C(=O)[O-]	REAL300012076044	0	37	0.0	-26.52	324.43	9.45	-17.07
CSCC([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300012076045	0	36	0.0	-24.57	316.53	9.67	-14.90
CSCC([NH2+]CC1=CC=C(Cl)C(Br)=C1F)C(=O)[O-]	REAL300012076046	0	30	0.0	-31.43	298.81	8.14	-23.29
CSCC([NH2+]CC1=CC=CC=C1OC1CCCCC1)C(=O)[O-]	REAL300012076047	0	47	0.0	-21.96	368.41	9.86	-12.10
CSCC([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300012076048	0	41	0.0	-28.99	366.27	10.46	-18.53
CSCC([NH2+]CC1=CC=CC=C1COC1CCCCC1)C(=O)[O-]	REAL300012076049	0	50	0.0	-24.60	388.64	10.51	-14.09
CSCC([NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012076050	0	44	0.0	-29.32	387.85	10.95	-18.37
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C2)=C1	REAL300012076051	0	45	0.0	-30.39	377.05	9.18	-21.21
CCN1CCCC2=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C21	REAL300012076052	0	45	0.0	-26.55	350.20	8.09	-18.46
COCC1=CN=C(OC)C(C[NH2+]C(CSC)C(=O)[O-])=C1	REAL300012076053	0	40	0.0	-24.64	339.83	3.57	-21.07
CSCC([NH2+]CC1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300012076054	0	30	0.0	-26.42	283.99	5.28	-21.14
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012076055	0	45	0.0	-30.45	380.15	9.88	-20.57
COC1=C(Br)C=CC(F)=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012076056	0	34	0.0	-24.67	316.36	7.14	-17.53
CSCC([NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012076057	0	43	0.0	-26.48	367.98	11.74	-14.74
CSCC([NH2+]CC1=C(Br)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300012076058	0	34	0.0	-24.10	322.70	7.38	-16.72
CSCC([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C(=O)[O-]	REAL300012076059	0	34	0.0	-26.83	317.25	8.55	-18.28
CSCC([NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300012076060	0	44	0.0	-26.44	386.87	10.83	-15.61
CSCC([NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C(=O)[O-]	REAL300012076061	0	43	0.0	-28.59	352.74	7.73	-20.86
CSCC([NH2+]CC1=CC=C(Br)C=C1OC(F)F)C(=O)[O-]	REAL300012076062	0	34	0.0	-29.32	320.46	7.35	-21.97
CSCC([NH2+]CC1=C(C)C2=CC=C(F)C=C2S1)C(=O)[O-]	REAL300012076063	0	36	0.0	-23.73	317.79	9.09	-14.64
COC1=CC=C(F)C(C[NH2+]C(CSC)C(=O)[O-])=C1OC	REAL300012076064	0	38	0.0	-25.39	325.30	6.34	-19.05
COC1=CC(OC)=C(C[NH2+]C(CSC)C(=O)[O-])C2=NC(Cl)=CC=C12	REAL300012076065	0	43	0.0	-25.49	373.98	6.81	-18.68
CSCC([NH2+]CC1=C(F)C=CC(C)=C1Br)C(=O)[O-]	REAL300012076066	0	33	0.0	-22.61	298.39	8.02	-14.59
CSCC([NH2+]CC1=CC=CC=C1OCCC1CCCCC1)C(=O)[O-]	REAL300012076067	0	53	0.0	-27.05	413.40	11.38	-15.67
CSCC([NH2+]CC1=CC=CC(OCC2CCC2)=C1)C(=O)[O-]	REAL300012076068	0	44	0.0	-24.60	358.45	9.38	-15.22
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OCCO	REAL300012076069	0	42	0.0	-32.29	350.83	4.06	-28.23
COC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1OCCO	REAL300012076070	0	42	0.0	-33.32	352.83	4.13	-29.19
CSCC([NH2+]CC1=CN(C)N=C1C1=CC=NN1C)C(=O)[O-]	REAL300012076071	0	40	0.0	-33.61	344.46	5.99	-27.62
COC1=CC(C[NH2+]C(CSC)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012076072	0	49	0.0	-33.33	398.53	7.72	-25.61
CSCC([NH2+]CC1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300012076073	0	33	0.0	-32.92	295.10	8.17	-24.75
CSCC([NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F)C(=O)[O-]	REAL300012076074	0	37	0.0	-30.17	336.17	7.85	-22.32
CSCC([NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1)C(=O)[O-]	REAL300012076075	0	39	0.0	-29.78	358.17	8.84	-20.94
CSCC([NH2+]CC1=C(Br)C=CC2=C1OCO2)C(=O)[O-]	REAL300012076076	0	33	0.0	-24.13	303.44	6.22	-17.91
CSCC([NH2+]CC1=C(S(C)(=O)=O)C=CS1)C(=O)[O-]	REAL300012076077	0	33	0.0	-30.56	299.54	4.18	-26.38
CSCC([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300012076078	0	33	0.0	-23.74	303.14	8.05	-15.69
CSCC([NH2+]CC1=CC=C(OC(C)C)C(F)=C1)C(=O)[O-]	REAL300012076079	0	40	0.0	-27.43	334.36	7.95	-19.48
CSCC([NH2+]CC1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300012076080	0	33	0.0	-34.03	313.50	3.68	-30.35
CSCC([NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1)C(=O)[O-]	REAL300012076081	0	37	0.0	-29.98	336.41	8.83	-21.15
CSCC([NH2+]CC1=C(Br)C=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012076082	0	30	0.0	-23.55	311.15	7.93	-15.62
CSCC([NH2+]CC1=CC=C(Br)C=C1OC1CC1)C(=O)[O-]	REAL300012076083	0	38	0.0	-28.52	341.75	8.73	-19.79
CSCC([NH2+]CC1=CC([N+](=O)[O-])=CC=C1N(C)C)C(=O)[O-]	REAL300012076084	0	40	0.0	-27.43	340.64	7.70	-19.73
CSCC([NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F)C(=O)[O-]	REAL300012076085	0	33	0.0	-32.10	302.77	8.55	-23.55
CSCC([NH2+]CC1=C(F)C=CC(Br)=C1Cl)C(=O)[O-]	REAL300012076086	0	30	0.0	-24.66	300.01	8.08	-16.58
CSCC([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C(=O)[O-]	REAL300012076087	0	37	0.0	-30.33	326.08	8.38	-21.95
COC1=NC(C)=C(C[NH2+]C(CSC)C(=O)[O-])C(C)=C1Cl	REAL300012076088	0	39	0.0	-25.93	335.11	5.31	-20.62
CSCC([NH2+]CC1=NN(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300012076089	0	39	0.0	-31.60	334.86	7.36	-24.24
CSCC([NH2+]CC1=CN(C2CCCCC2)N=C1C)C(=O)[O-]	REAL300012076090	0	46	0.0	-28.23	365.52	8.71	-19.52
CSCC([NH2+]CC1=CN(C2CCOCC2)N=C1C)C(=O)[O-]	REAL300012076091	0	44	0.0	-29.04	356.28	6.30	-22.74
CSCC([NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012076092	0	35	0.0	-27.11	320.97	8.17	-18.94
CSCC([NH2+]CC1=CC(S(N)(=O)=O)=CS1)C(=O)[O-]	REAL300012076093	0	32	0.0	-33.92	307.08	1.08	-32.84
CSCC([NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300012076094	0	45	0.0	-31.35	363.56	6.48	-24.87
CSCC([NH2+]CC1=CC(C)=CC(Br)=C1F)C(=O)[O-]	REAL300012076095	0	33	0.0	-22.79	306.46	8.34	-14.45
CSCC([NH2+]CC1=CC=C(Br)C(Cl)=C1F)C(=O)[O-]	REAL300012076096	0	30	0.0	-31.34	298.96	8.14	-23.20
COC1=CC=CC(C[NH2+]C(CSC)C(=O)[O-])=C1Br	REAL300012076097	0	34	0.0	-28.15	301.05	6.82	-21.33
CSCC([NH2+]CC1=CC=CC(C2=CN(C)N=C2)=C1)C(=O)[O-]	REAL300012076098	0	40	0.0	-30.30	340.98	8.38	-21.92
COC1=CC(F)=C(C[NH2+]C(CSC)C(=O)[O-])C=C1Br	REAL300012076099	0	34	0.0	-27.47	313.30	7.04	-20.43
CSCC([NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)C(=O)[O-]	REAL300012076100	0	40	0.0	-36.61	346.51	9.44	-27.17
CSCC([NH2+]CC1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300012076101	0	33	0.0	-27.17	297.57	8.27	-18.90
COC1=NC2=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C2S1	REAL300012076102	0	36	0.0	-29.81	325.67	4.89	-24.92
CSCC([NH2+]CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012076103	0	29	0.0	-27.42	275.21	5.76	-21.66
CSCC([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C(=O)[O-]	REAL300012076104	0	30	0.0	-22.34	293.37	8.03	-14.31
CSCC([NH2+]CC1=CC=CC(OCC(C)(C)C)=C1)C(=O)[O-]	REAL300012076105	0	46	0.0	-24.35	370.65	9.37	-14.98
CSCC([NH2+]CC1=CC(Br)=CC(Cl)=C1F)C(=O)[O-]	REAL300012076106	0	30	0.0	-23.10	301.94	8.18	-14.92
CSCC([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C(=O)[O-]	REAL300012076107	0	33	0.0	-25.27	312.42	8.44	-16.83
COC(=O)C1=C(C)NC(C[NH2+]C(CSC)C(=O)[O-])=C1C	REAL300012076108	0	40	0.0	-29.56	344.53	6.77	-22.79
CSCC([NH2+]CC1=CC=C2CN(C(=O)OC(C)(C)C)CCC2=C1)C(=O)[O-]	REAL300012076109	0	54	0.0	-30.83	425.84	10.23	-20.60
CSCC([NH2+]CC1=C(C)C=C(Br)C=C1C)C(=O)[O-]	REAL300012076110	0	36	0.0	-24.04	310.48	8.59	-15.45
CSCC([NH2+]CC1=C(O)C=CC(F)=C1Br)C(=O)[O-]	REAL300012076111	0	31	0.0	-23.75	294.73	4.82	-18.93
CSCC([NH2+]CC1=C(Cl)C=CC2=C1OCO2)C(=O)[O-]	REAL300012076112	0	33	0.0	-24.85	300.92	6.16	-18.69
CSCC([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300012076113	0	46	0.0	-25.66	362.71	10.91	-14.75
CSCC([NH2+]CC1=C(C)C=C(Br)S1)C(=O)[O-]	REAL300012076114	0	30	0.0	-25.63	289.27	7.44	-18.19
CSCC([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300012076115	0	38	0.0	-31.07	330.03	7.44	-23.63
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012076116	0	39	0.0	-21.88	338.98	7.41	-14.47
CSCC([NH2+]CC1=NC2=CC(Cl)=CC=C2N1C(C)C)C(=O)[O-]	REAL300012076117	0	42	0.0	-31.28	356.99	9.11	-22.17
CSCC([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012076118	0	43	0.0	-26.65	361.65	11.49	-15.16
CSCC([NH2+]CC1=CC(Cl)=CC(Cl)=C1Br)C(=O)[O-]	REAL300012076119	0	30	0.0	-21.93	308.24	8.61	-13.32
CCCCC(=O)NC1=CC=C(C[NH2+]C(CSC)C(=O)[O-])C=C1	REAL300012076120	0	46	0.0	-29.66	380.25	8.36	-21.30
CSCC([NH2+]CC1=CSC(Br)=C1Br)C(=O)[O-]	REAL300012076121	0	27	0.0	-27.83	289.53	7.26	-20.57
CSCC([NH2+]CC1=CC=CC(Br)=C1Br)C(=O)[O-]	REAL300012076122	0	30	0.0	-27.75	291.41	8.02	-19.73
CSCC([NH2+]CC1=CC(Cl)=CN=C1Br)C(=O)[O-]	REAL300012076123	0	29	0.0	-22.21	287.23	6.22	-15.99
CSCC([NH2+]CC1=C(Cl)C(Cl)=CS1)C(=O)[O-]	REAL300012076124	0	27	0.0	-22.35	280.30	7.05	-15.30
CSCC([NH2+]CC1=CN(C(C)(C)C)N=C1C(C)(C)C)C(=O)[O-]	REAL300012076125	0	51	0.0	-25.70	387.36	9.04	-16.66
CSCC([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300012076126	0	34	0.0	-27.13	320.89	7.37	-19.76
CSCC([NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C(=O)[O-]	REAL300012076127	0	40	0.0	-29.41	348.52	9.86	-19.55
CSCC([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300012076128	0	39	0.0	-29.16	328.27	8.69	-20.47
CSCC([NH2+]CC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	REAL300012076129	0	52	0.0	-25.26	417.79	11.94	-13.32
CSCC([NH2+]CC1=CC=CC(C)=C1C(F)(F)F)C(=O)[O-]	REAL300012076130	0	36	0.0	-29.29	305.37	8.67	-20.62
CSCC([NH2+]CC1=CC=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300012076131	0	33	0.0	-22.12	313.87	8.56	-13.56
CSCC([NH2+]CC1=CC2=NC=C(Br)C=C2O1)C(=O)[O-]	REAL300012076132	0	32	0.0	-27.87	305.21	6.38	-21.49
CSCC([NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1)C(=O)[O-]	REAL300012076133	0	35	0.0	-31.74	325.69	7.37	-24.37
CSCC([NH2+]CC1=CC2=C(CCOC2)N=C1Cl)C(=O)[O-]	REAL300012076134	0	37	0.0	-29.86	317.73	5.61	-24.25
CSCC([NH2+]CC1=CC2=CC(Br)=CC=C2S1)C(=O)[O-]	REAL300012076135	0	33	0.0	-25.88	319.92	9.22	-16.66
CSCC([NH2+]CC1=CC=C(Br)C=C1Br)C(=O)[O-]	REAL300012076137	0	30	0.0	-21.08	296.45	8.19	-12.89
CSCC([NH2+]CC1=CC(Br)=CC(F)=C1F)C(=O)[O-]	REAL300012076138	0	30	0.0	-24.12	293.37	7.80	-16.32
CSCC([NH2+]CC1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300012076139	0	30	0.0	-28.23	301.52	8.22	-20.01
CSCC([NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012076140	0	32	0.0	-33.15	309.45	8.32	-24.83
CSCC([NH2+]CC(C)=CC1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300012076141	0	37	0.0	-27.73	320.44	8.93	-18.80
COC1=C(C[NH2+]C(CSC)C(=O)[O-])C=CC(Br)=C1F	REAL300012076142	0	34	0.0	-23.86	315.23	7.08	-16.78
CSCC([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C(=O)[O-]	REAL300012076143	0	33	0.0	-34.04	303.43	8.06	-25.98
CSCC([NH2+]CC1=CN(C(C)(C)C)N=C1C(C)C)C(=O)[O-]	REAL300012076144	0	48	0.0	-28.11	385.62	8.70	-19.41
CSCC([NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C(=O)[O-]	REAL300012076145	0	36	0.0	-30.00	325.41	9.87	-20.13
CSCC([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C(=O)[O-]	REAL300012076146	0	43	0.0	-27.63	347.55	4.04	-23.59
CSCC([NH2+]CC1=CC=C(CN2C=C(Br)C=N2)C=C1)C(=O)[O-]	REAL300012076147	0	40	0.0	-29.18	364.32	9.30	-19.88
CSCC([NH2+]CC1=C(F)C=C(I)C=C1F)C(=O)[O-]	REAL300012076148	0	30	0.0	-25.19	299.67	8.23	-16.96
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CSC)C(=O)[O-]	REAL300012076149	0	42	0.0	-27.06	349.49	5.71	-21.35
CSCC([NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1)C(=O)[O-]	REAL300012076150	0	47	0.0	-25.83	370.22	8.92	-16.91
CSCC([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F)C(=O)[O-]	REAL300012076151	0	44	0.0	-24.68	374.53	10.61	-14.07
CSCC([NH2+]CC1=CN=C(N2C=CC=N2)C(C)=C1)C(=O)[O-]	REAL300012076152	0	39	0.0	-31.15	331.51	8.36	-22.79
COC1=CC=C(Br)C(C[NH2+]C(CSC)C(=O)[O-])=C1O	REAL300012076153	0	35	0.0	-26.20	313.76	4.62	-21.58
CC1=CC=C(N2C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012076154	0	51	0.0	-29.48	391.48	11.08	-18.40
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012076155	0	47	0.0	-38.51	387.54	9.99	-28.52
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076156	0	39	0.0	-31.98	349.94	8.99	-22.99
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012076157	0	46	0.0	-35.94	383.41	11.44	-24.50
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012076158	0	47	0.0	-38.29	404.27	10.51	-27.78
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OCC1=CC=C(F)C=C1	REAL300012076159	0	47	0.0	-34.14	392.41	10.20	-23.94
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C2)C=C1	REAL300012076160	0	47	0.0	-40.16	389.14	8.35	-31.81
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(NC(=O)C2=CC=CC=C2Cl)=CC=C1	REAL300012076161	0	43	0.0	-42.50	371.62	9.33	-33.17
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076162	0	39	0.0	-36.00	325.51	8.62	-27.38
N#CCCN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012076163	0	43	0.0	-36.35	370.52	9.44	-26.91
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OC(F)F	REAL300012076164	0	37	0.0	-33.42	314.00	6.44	-26.98
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012076165	0	45	0.0	-31.97	377.98	9.83	-22.14
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1	REAL300012076166	1	36	0.0	-39.05	330.72	9.42	-29.63
CCOC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC(Br)=C1OC	REAL300012076167	0	40	0.0	-38.90	351.97	7.69	-31.21
CCOC1=C(Br)C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076168	0	40	0.0	-35.42	352.59	7.94	-27.48
C=CCOC1=C(Br)C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076169	0	41	0.0	-34.74	363.34	8.44	-26.30
CCCOC1=C(Br)C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076170	0	43	0.0	-34.26	371.93	8.66	-25.60
CCCOC1=CC=C(Br)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076171	0	39	0.0	-31.44	341.97	8.61	-22.83
CCOC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OC	REAL300012076172	0	40	0.0	-38.25	327.63	6.94	-31.31
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012076173	0	43	0.0	-29.94	356.94	10.16	-19.78
CCCCCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076174	0	45	0.0	-35.52	365.06	9.49	-26.03
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012076175	0	38	0.0	-48.19	337.63	9.46	-38.73
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012076176	0	38	0.0	-43.49	335.45	9.39	-34.10
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1Br	REAL300012076177	0	33	0.0	-30.24	295.41	6.93	-23.31
CCCCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076178	0	46	0.0	-32.24	369.09	8.66	-23.58
CCCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076179	0	43	0.0	-38.08	349.13	7.74	-30.34
C=CCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076180	0	41	0.0	-39.39	342.69	7.61	-31.78
CCCCCCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076181	0	52	0.0	-36.74	413.62	10.08	-26.66
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012076182	1	36	0.0	-39.02	326.15	9.31	-29.71
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012076183	0	36	0.0	-35.38	322.59	9.41	-25.97
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1	REAL300012076184	1	36	0.0	-33.76	329.19	9.54	-24.22
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012076185	0	36	0.0	-33.21	332.22	10.34	-22.87
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012076186	0	39	0.0	-35.90	329.74	8.63	-27.27
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC(OC)=C1OCC1=CC=CC=C1	REAL300012076187	0	51	0.0	-35.74	419.17	10.07	-25.67
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012076188	0	38	0.0	-44.02	332.01	10.22	-33.80
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012076189	0	48	0.0	-39.69	385.99	8.19	-31.50
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012076190	0	35	0.0	-39.31	320.44	7.76	-31.55
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012076191	0	33	0.0	-24.86	290.13	6.82	-18.04
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012076192	0	33	0.0	-35.72	305.58	8.37	-27.35
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012076193	0	36	0.0	-30.17	307.82	4.58	-25.59
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012076194	0	33	0.0	-35.45	293.03	6.62	-28.83
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012076195	0	38	0.0	-43.09	345.21	10.36	-32.73
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012076196	0	38	0.0	-42.59	341.97	10.26	-32.33
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012076197	0	36	0.0	-38.05	310.79	6.79	-31.26
CC1=CC=C(C2=NNC=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076198	0	39	0.0	-36.26	325.79	7.41	-28.85
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012076199	0	33	0.0	-27.35	287.96	6.04	-21.31
COC1=CC=C(C2=NNC=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076200	0	40	0.0	-36.12	329.56	5.88	-30.24
CCOC1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012076201	0	48	0.0	-26.67	371.67	7.04	-19.63
CC1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])O2)C=C1	REAL300012076202	1	39	0.0	-38.75	330.83	9.47	-29.28
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012076203	0	42	0.0	-34.10	349.69	5.92	-28.18
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012076204	0	44	0.0	-37.52	357.50	7.52	-30.00
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012076205	0	36	0.0	-33.72	321.90	9.89	-23.83
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012076206	0	42	0.0	-31.06	349.71	8.46	-22.60
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076207	0	38	0.0	-36.17	318.51	6.04	-30.13
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)S1	REAL300012076208	0	36	0.0	-33.23	336.78	10.44	-22.79
CC(C)N1N=CC2=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C(Cl)N=C21	REAL300012076209	0	40	0.0	-37.79	345.20	8.12	-29.67
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012076210	0	36	0.0	-31.78	332.42	10.34	-21.44
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012076211	0	46	0.0	-37.11	380.88	8.36	-28.75
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012076212	0	36	0.0	-32.40	324.86	10.00	-22.40
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2Br)S1	REAL300012076213	0	36	0.0	-35.79	337.53	10.27	-25.52
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012076214	0	32	0.0	-29.74	297.38	8.51	-21.23
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012076215	0	32	0.0	-37.85	291.97	8.09	-29.76
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012076216	0	32	0.0	-32.71	282.61	8.18	-24.53
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012076217	0	32	0.0	-33.62	293.12	8.12	-25.50
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012076218	0	32	0.0	-36.08	291.43	7.93	-28.15
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(Cl)=C1OC	REAL300012076219	0	37	0.0	-27.48	322.25	6.82	-20.66
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076220	0	45	0.0	-27.62	382.98	10.32	-17.30
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)S1	REAL300012076221	0	36	0.0	-38.83	338.32	10.30	-28.53
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012076222	0	33	0.0	-33.58	302.48	7.01	-26.57
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012076223	0	36	0.0	-34.54	332.22	10.33	-24.21
N#CC1=CC=CC(COC2=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C2)=C1	REAL300012076224	0	44	0.0	-33.74	377.62	10.63	-23.11
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012076225	0	39	0.0	-30.45	330.11	5.53	-24.92
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012076226	0	40	0.0	-36.86	345.67	7.54	-29.32
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012076227	0	42	0.0	-33.17	351.64	8.48	-24.69
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012076228	0	35	0.0	-37.92	314.03	6.73	-31.19
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=C2OCCCOC2=C1	REAL300012076229	0	38	0.0	-40.08	332.46	7.50	-32.58
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012076230	0	39	0.0	-40.39	348.71	9.07	-31.32
CC(C)C1=NN(C)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076231	0	38	0.0	-30.84	329.29	6.84	-24.00
COCCOC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076232	0	40	0.0	-34.78	332.01	6.32	-28.46
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012076233	0	34	0.0	-40.36	306.59	5.92	-34.44
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=N1	REAL300012076235	0	45	0.0	-45.04	365.14	6.75	-38.29
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012076236	0	36	0.0	-30.62	316.42	7.65	-22.97
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012076237	0	38	0.0	-33.27	309.01	6.93	-26.34
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012076239	0	36	0.0	-31.80	313.69	9.62	-22.18
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012076240	0	43	0.0	-33.52	343.91	9.13	-24.39
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012076241	0	42	0.0	-27.66	354.37	8.97	-18.69
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012076243	0	43	0.0	-35.79	364.17	10.35	-25.44
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012076244	0	39	0.0	-39.63	343.46	7.12	-32.51
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012076245	0	38	0.0	-39.38	351.40	8.66	-30.72
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1	REAL300012076246	0	39	0.0	-40.50	362.34	7.73	-32.77
CC1=CC=C(OCC2=NC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CS2)C=C1	REAL300012076247	0	42	0.0	-35.98	363.33	7.94	-28.04
COC1=CC=C(OCC2=NC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CS2)C=C1	REAL300012076248	0	43	0.0	-37.01	371.42	6.56	-30.45
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012076249	0	32	0.0	-34.78	303.53	6.77	-28.01
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012076250	0	36	0.0	-34.41	319.75	9.81	-24.60
CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076251	0	43	0.0	-29.87	351.93	7.83	-22.04
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012076252	0	43	0.0	-28.84	340.74	9.09	-19.75
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076253	0	46	0.0	-33.29	379.17	7.74	-25.55
CC1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])S2)C=C1	REAL300012076254	0	39	0.0	-32.93	336.90	10.50	-22.43
COC1=CC(OC)=CC(OC2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2)=C1	REAL300012076255	0	48	0.0	-39.82	398.60	8.43	-31.39
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012076256	0	35	0.0	-36.73	313.75	7.34	-29.39
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076257	0	33	0.0	-30.10	310.14	7.31	-22.79
CCOCCOC1=CC=C(Br)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076258	0	43	0.0	-28.88	374.42	8.17	-20.71
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012076259	0	29	0.0	-29.77	283.18	7.97	-21.80
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012076260	0	29	0.0	-25.54	280.66	8.09	-17.45
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012076261	0	40	0.0	-31.62	347.01	9.96	-21.66
CCOC1=C(OC)C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076262	0	44	0.0	-35.60	361.43	7.09	-28.51
COCCCOC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076263	0	43	0.0	-35.38	355.71	7.01	-28.37
COC1=CC=C(OC(F)F)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076264	0	37	0.0	-34.49	316.54	5.82	-28.67
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(Br)=C1OC(F)F	REAL300012076265	0	33	0.0	-28.28	302.10	7.21	-21.07
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012076266	0	33	0.0	-28.23	295.61	6.94	-21.29
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012076267	0	49	0.0	-29.95	399.75	11.79	-18.16
CC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012076268	0	42	0.0	-37.13	352.33	8.69	-28.44
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012076269	0	47	0.0	-30.48	389.34	8.32	-22.16
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])S2)C=C1	REAL300012076270	0	38	0.0	-36.12	334.29	8.57	-27.55
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012076271	0	34	0.0	-30.74	305.70	7.93	-22.81
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012076272	0	34	0.0	-26.89	301.93	7.98	-18.91
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012076273	0	36	0.0	-36.61	321.06	9.05	-27.56
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])O1	REAL300012076274	1	39	0.0	-38.97	336.34	9.55	-29.42
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])O2)C=C1	REAL300012076275	1	42	0.0	-33.61	348.62	10.30	-23.31
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(OC(F)F)=C1	REAL300012076276	0	37	0.0	-30.15	312.86	5.89	-24.26
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012076277	0	37	0.0	-35.21	314.41	8.80	-26.41
CC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1Br	REAL300012076278	0	32	0.0	-28.33	284.99	8.15	-20.18
CC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1Br	REAL300012076279	0	32	0.0	-35.15	286.51	8.01	-27.14
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012076280	0	34	0.0	-27.11	298.00	7.28	-19.83
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])O2)C=C1	REAL300012076281	1	48	0.0	-38.23	385.54	11.12	-27.11
CC1=CC=C(C)C(OC2=CC=CC(Cl)=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1C	REAL300012076282	0	49	0.0	-28.93	404.11	12.00	-16.93
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076283	0	49	0.0	-29.66	380.36	9.56	-20.10
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076284	0	49	0.0	-26.73	388.76	10.11	-16.62
CC1=CC=CC(COC2=C(C)C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2C)=C1	REAL300012076285	0	52	0.0	-37.53	423.66	12.37	-25.16
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1C	REAL300012076286	0	52	0.0	-31.24	417.03	12.56	-18.68
CC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300012076287	0	49	0.0	-35.61	415.55	12.31	-23.30
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076288	0	47	0.0	-30.99	380.32	11.73	-19.26
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076289	0	45	0.0	-34.57	380.06	9.92	-24.65
CCN(CC)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1F	REAL300012076290	0	43	0.0	-38.61	346.30	7.88	-30.73
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C(SC)C=C1OC	REAL300012076291	0	41	0.0	-32.00	343.54	7.04	-24.96
COC1=CC=C2N=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])SC2=C1	REAL300012076292	0	35	0.0	-29.52	307.14	5.77	-23.75
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076293	0	35	0.0	-37.14	310.32	7.87	-29.27
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012076294	0	33	0.0	-38.12	299.00	8.17	-29.95
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012076295	0	33	0.0	-40.66	294.67	6.56	-34.10
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076296	0	35	0.0	-31.00	301.51	8.67	-22.33
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC(Cl)=C1OC	REAL300012076297	0	37	0.0	-35.69	326.35	6.88	-28.81
CCOC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OC(C)C(=O)N(C)C	REAL300012076298	0	53	0.0	-41.31	418.95	8.87	-32.44
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=CC=C1OC(F)F	REAL300012076299	0	33	0.0	-33.57	307.05	7.12	-26.45
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076300	0	45	0.0	-27.24	385.78	10.12	-17.12
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OCC(C)C	REAL300012076301	0	46	0.0	-38.50	371.39	8.51	-29.99
CCCOC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OC	REAL300012076302	0	43	0.0	-38.01	349.13	7.74	-30.27
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)S1	REAL300012076303	0	26	0.0	-36.45	259.76	6.70	-29.75
CCOC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC(Cl)=C1OC	REAL300012076304	0	40	0.0	-39.05	347.59	7.58	-31.47
COC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1OC(C)C	REAL300012076305	0	43	0.0	-26.56	345.86	8.07	-18.49
CCOC1=C(Cl)C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076306	0	40	0.0	-34.59	346.05	7.75	-26.84
CCCOC1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=CC=C1OCC	REAL300012076307	0	46	0.0	-28.88	371.86	8.79	-20.09
CCCCOC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OC	REAL300012076308	0	46	0.0	-37.86	370.63	8.52	-29.34
CCCOC1=C(Cl)C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OCC	REAL300012076309	0	46	0.0	-39.61	393.10	9.42	-30.19
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076310	0	45	0.0	-26.77	380.56	10.57	-16.20
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC(F)F	REAL300012076311	0	37	0.0	-36.64	314.00	6.45	-30.19
CCOC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OC(F)F	REAL300012076312	0	40	0.0	-37.75	337.39	7.22	-30.53
CC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012076313	0	39	0.0	-33.21	326.19	8.10	-25.11
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300012076314	0	35	0.0	-39.70	333.17	8.22	-31.48
CCOC1=CC2=C(C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-])OC(C)C2	REAL300012076315	0	44	0.0	-32.91	356.06	7.78	-25.13
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC2=C1OCCO2	REAL300012076316	0	39	0.0	-36.54	321.34	6.06	-30.48
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012076317	1	38	0.0	-45.84	343.66	8.34	-37.50
CCCCN1N=C(C)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1Cl	REAL300012076318	0	41	0.0	-30.86	353.26	7.99	-22.87
CCOC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1OC(F)F	REAL300012076319	0	40	0.0	-29.22	336.49	7.52	-21.70
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012076320	0	47	0.0	-30.53	381.89	9.20	-21.33
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1C	REAL300012076321	0	52	0.0	-35.95	422.25	12.65	-23.30
CC1=CC=CC(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076322	0	52	0.0	-37.63	430.01	12.56	-25.07
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012076323	0	49	0.0	-36.61	404.88	11.74	-24.87
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012076324	0	36	0.0	-36.62	315.71	9.64	-26.98
CCCOC1=C(Cl)C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076325	0	43	0.0	-35.44	369.70	8.63	-26.81
CC1=CC=C(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076326	0	52	0.0	-36.63	426.28	12.42	-24.21
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076327	0	51	0.0	-28.25	393.86	10.91	-17.34
CC(C)(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076328	0	48	0.0	-28.11	388.68	10.67	-17.44
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076329	0	48	0.0	-27.43	408.41	10.83	-16.60
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012076330	0	36	0.0	-40.19	320.45	9.03	-31.16
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076331	0	52	0.0	-44.37	414.10	9.43	-34.94
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012076332	0	45	0.0	-34.34	356.03	8.44	-25.90
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076333	0	48	0.0	-32.87	387.33	11.19	-21.68
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012076335	0	36	0.0	-36.26	316.86	7.10	-29.16
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OCC1=C(C)ON=C1C	REAL300012076336	0	49	0.0	-44.89	406.97	8.86	-36.03
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012076337	0	36	0.0	-37.09	314.15	8.97	-28.12
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012076338	0	35	0.0	-38.25	309.65	6.61	-31.64
CCCCC1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C2=CC=CC=C2O1	REAL300012076339	0	44	0.0	-30.23	355.14	10.32	-19.91
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012076340	0	42	0.0	-43.59	356.09	11.58	-32.01
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012076341	0	44	0.0	-33.58	376.24	9.21	-24.37
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076342	0	42	0.0	-38.24	348.78	8.95	-29.29
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012076343	0	38	0.0	-39.39	325.91	7.30	-32.09
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300012076344	0	43	0.0	-30.91	372.08	10.90	-20.01
O=C([O-])[C@H](CC(F)F)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012076345	0	38	0.0	-38.90	307.56	8.16	-30.74
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012076346	0	36	0.0	-39.67	322.65	7.73	-31.94
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012076347	0	35	0.0	-42.57	321.93	7.55	-35.02
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012076348	0	35	0.0	-44.47	324.67	7.30	-37.17
CC1=CC(Br)=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1OC(F)F	REAL300012076349	0	36	0.0	-28.23	323.64	7.99	-20.24
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012076350	0	26	0.0	-30.87	274.06	7.30	-23.57
CC1=CC=C(SC2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012076351	0	45	0.0	-42.27	393.10	12.09	-30.18
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012076352	0	46	0.0	-43.77	381.01	11.91	-31.86
COC1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012076353	0	42	0.0	-44.46	361.47	9.52	-34.94
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012076354	1	36	0.0	-36.82	339.78	9.89	-26.93
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1	REAL300012076355	0	42	0.0	-36.83	366.54	11.17	-25.66
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076356	0	42	0.0	-31.20	365.84	9.30	-21.90
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076357	0	42	0.0	-32.22	380.54	9.78	-22.44
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CS1	REAL300012076358	0	46	0.0	-28.44	395.54	11.17	-17.27
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012076359	0	48	0.0	-31.88	403.01	10.29	-21.59
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076360	0	39	0.0	-26.50	355.60	9.46	-17.04
CC1=NN(CC2=CC=C(Cl)C=C2)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076361	0	42	0.0	-32.88	384.74	9.92	-22.96
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OC(C)C	REAL300012076362	0	43	0.0	-33.19	346.19	7.78	-25.41
CCCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OCC	REAL300012076363	0	46	0.0	-34.24	371.60	8.88	-25.36
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076364	0	42	0.0	-28.42	370.72	9.51	-18.91
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C(Br)=C1	REAL300012076365	0	29	0.0	-33.42	285.76	8.13	-25.29
CCCCCCCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076366	0	51	0.0	-30.03	404.35	11.11	-18.92
CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012076367	0	50	0.0	-31.30	380.62	11.40	-19.90
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Br)C=CS1	REAL300012076368	0	26	0.0	-28.48	256.70	6.46	-22.02
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012076369	0	42	0.0	-30.64	333.75	6.45	-24.19
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012076370	0	29	0.0	-25.50	269.00	7.61	-17.89
CC1=CC=C(C2=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C2)C=C1	REAL300012076371	0	42	0.0	-31.48	341.11	11.05	-20.43
COC1=CC=C(Br)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076372	0	33	0.0	-28.68	289.60	6.86	-21.82
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012076373	0	35	0.0	-41.94	304.71	7.64	-34.30
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076374	0	42	0.0	-34.16	343.10	10.90	-23.26
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012076375	0	35	0.0	-33.92	325.44	9.04	-24.88
CCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OCC	REAL300012076376	0	43	0.0	-38.92	351.64	7.95	-30.97
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012076377	0	32	0.0	-35.93	297.39	8.37	-27.56
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012076378	0	29	0.0	-25.24	270.33	7.65	-17.59
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012076379	0	33	0.0	-35.23	295.18	6.70	-28.53
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076380	0	43	0.0	-32.33	353.73	10.03	-22.30
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012076381	1	39	0.0	-37.89	346.94	9.94	-27.95
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C2=CC=CC=C12	REAL300012076382	0	39	0.0	-30.56	316.98	8.53	-22.03
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(Br)=C1O	REAL300012076383	0	34	0.0	-27.27	303.23	4.75	-22.52
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(Br)=C1	REAL300012076384	0	26	0.0	-36.61	259.52	6.55	-30.06
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012076385	0	46	0.0	-41.06	382.38	8.21	-32.85
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300012076386	0	36	0.0	-32.96	347.37	10.80	-22.16
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300012076387	0	42	0.0	-31.09	369.11	9.11	-21.98
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012076388	0	47	0.0	-33.99	378.16	9.92	-24.07
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012076389	0	39	0.0	-34.60	321.24	10.23	-24.37
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012076390	0	42	0.0	-34.27	353.93	8.47	-25.80
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012076391	0	29	0.0	-34.48	272.50	7.63	-26.85
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012076392	0	38	0.0	-36.61	319.37	8.92	-27.69
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012076393	0	38	0.0	-32.56	316.88	8.68	-23.88
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012076394	0	38	0.0	-38.27	318.60	8.56	-29.71
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076395	0	44	0.0	-35.96	341.03	7.37	-28.59
CN1CCN(C2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2)CC1	REAL300012076396	1	46	0.0	-34.93	356.26	5.53	-29.40
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012076397	0	38	0.0	-33.97	326.91	5.47	-28.50
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012076398	0	36	0.0	-32.48	310.73	8.24	-24.24
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076399	0	42	0.0	-38.59	361.26	9.50	-29.09
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012076400	0	36	0.0	-36.93	322.59	8.55	-28.38
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076401	0	42	0.0	-36.97	358.07	9.17	-27.80
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1	REAL300012076402	0	36	0.0	-27.68	351.50	8.96	-18.72
CC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012076403	0	48	0.0	-33.55	393.48	10.13	-23.42
COC1=CC=CC(COC2=CC=CC(Cl)=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076404	0	47	0.0	-30.54	401.15	10.08	-20.46
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012076405	0	36	0.0	-33.13	318.58	7.73	-25.40
CCOC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012076406	0	50	0.0	-35.84	410.01	11.13	-24.71
CC(C)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012076407	0	40	0.0	-46.32	332.10	9.32	-37.00
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012076408	0	32	0.0	-38.96	296.54	6.19	-32.77
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076409	0	45	0.0	-37.87	364.86	9.25	-28.62
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076410	0	45	0.0	-36.47	379.84	9.95	-26.52
CCOC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OCC(C)C	REAL300012076411	0	49	0.0	-37.65	391.09	9.34	-28.31
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012076412	0	29	0.0	-26.89	273.18	7.64	-19.25
COC1=CC(Br)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076413	0	37	0.0	-35.19	320.30	6.63	-28.56
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012076414	0	29	0.0	-26.64	274.51	7.69	-18.95
COC1=CC2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2C=C1	REAL300012076415	0	39	0.0	-38.89	324.64	8.45	-30.44
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=CS1	REAL300012076416	0	26	0.0	-34.29	260.88	6.64	-27.65
CCCCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OCC	REAL300012076417	0	49	0.0	-33.06	393.10	9.66	-23.40
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076418	0	42	0.0	-31.50	343.96	9.13	-22.37
COC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1OC(F)F	REAL300012076419	0	37	0.0	-32.22	314.85	6.42	-25.80
CCC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076420	0	52	0.0	-31.73	420.70	12.85	-18.88
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012076421	1	33	0.0	-34.36	306.02	7.53	-26.83
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012076422	0	49	0.0	-27.45	384.48	10.24	-17.21
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012076424	0	29	0.0	-35.51	274.65	7.70	-27.81
CC1=CC=C(COC2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2)C=C1	REAL300012076425	0	46	0.0	-36.10	379.71	10.79	-25.31
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012076426	0	44	0.0	-29.45	338.44	8.25	-21.20
CCCCCCOC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076427	0	48	0.0	-28.30	382.84	10.33	-17.97
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1SC	REAL300012076428	0	37	0.0	-32.23	314.41	7.31	-24.92
N#CCCCOC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076429	0	40	0.0	-41.35	342.89	8.45	-32.90
CCCCCOC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OC	REAL300012076430	0	49	0.0	-37.78	392.13	9.30	-28.48
CCC(C)OC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OC	REAL300012076431	0	46	0.0	-37.48	368.47	8.44	-29.04
CCCCCCCOC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076432	0	51	0.0	-32.73	405.88	10.97	-21.76
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OCCCC#N	REAL300012076433	0	44	0.0	-39.25	370.60	8.48	-30.77
C=C(C)COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OC	REAL300012076434	0	44	0.0	-34.62	360.57	8.51	-26.11
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OCCC(C)C	REAL300012076435	0	49	0.0	-34.07	388.81	9.26	-24.81
C=CCC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC(OC)=C1O	REAL300012076436	0	41	0.0	-33.45	342.52	6.19	-27.26
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076437	0	38	0.0	-38.75	326.06	7.82	-30.93
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076438	0	39	0.0	-27.85	342.92	5.48	-22.37
CCOC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012076439	0	43	0.0	-42.41	371.21	8.41	-34.00
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012076441	0	42	0.0	-36.13	334.84	5.86	-30.27
C=CCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1Cl	REAL300012076442	0	37	0.0	-40.17	329.47	8.27	-31.90
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012076443	0	35	0.0	-32.06	311.36	8.02	-24.04
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012076444	0	41	0.0	-26.28	332.75	6.87	-19.41
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012076445	0	32	0.0	-36.14	304.12	6.86	-29.28
CC1=CC=CC(C2=NNC=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076446	0	39	0.0	-30.80	325.56	7.39	-23.41
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012076447	0	32	0.0	-37.18	302.82	8.34	-28.84
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300012076448	0	32	0.0	-36.97	307.38	8.44	-28.53
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012076449	0	29	0.0	-28.99	283.18	7.97	-21.02
CC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(Br)=C1	REAL300012076450	0	32	0.0	-28.54	278.62	8.11	-20.43
CC(C)COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076451	0	42	0.0	-30.93	340.63	8.75	-22.18
COCCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076452	0	40	0.0	-36.90	332.02	6.32	-30.58
CC(C)(C)N1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC=CC=C2Cl)=N1	REAL300012076453	0	48	0.0	-28.34	399.76	10.67	-17.67
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076454	0	44	0.0	-33.23	374.24	10.66	-22.57
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012076455	0	33	0.0	-38.54	302.32	6.94	-31.60
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012076456	0	37	0.0	-36.05	338.54	8.42	-27.63
CN1N=C(C2=CC=CC=C2)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1Cl	REAL300012076457	0	39	0.0	-31.40	344.04	8.39	-23.01
COC1=CC2=C(C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-])OCO2	REAL300012076458	0	36	0.0	-34.55	303.35	4.92	-29.63
CC(C)COC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076459	0	42	0.0	-29.11	340.61	8.76	-20.35
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN=CC(Br)=C1	REAL300012076460	0	28	0.0	-37.31	265.35	5.73	-31.58
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012076461	0	34	0.0	-31.51	304.10	7.24	-24.27
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012076462	0	39	0.0	-28.12	324.85	8.10	-20.02
CC1=C(Br)SC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076463	0	29	0.0	-32.47	279.13	7.47	-25.00
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012076464	0	34	0.0	-26.92	305.99	8.07	-18.85
COC1=CC=C(OC2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2)C=C1	REAL300012076465	0	44	0.0	-34.12	365.86	9.17	-24.95
CC1=CC(C)=CC(C2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2)=C1	REAL300012076466	0	45	0.0	-31.17	362.52	11.70	-19.47
CC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012076467	0	38	0.0	-35.39	316.60	10.49	-24.90
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012076468	0	36	0.0	-39.40	313.57	7.44	-31.96
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076469	0	39	0.0	-31.66	341.46	9.22	-22.44
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012076470	0	43	0.0	-35.39	364.71	10.17	-25.22
CCCCOC1=CC=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076471	0	42	0.0	-28.85	340.03	8.69	-20.16
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012076472	0	40	0.0	-31.81	346.10	11.06	-20.75
CC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012076473	0	39	0.0	-32.00	324.09	7.71	-24.29
COC1=CC(C)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076474	0	40	0.0	-33.16	321.18	6.84	-26.32
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1	REAL300012076475	0	35	0.0	-31.55	341.21	9.10	-22.45
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076476	0	35	0.0	-27.47	309.54	7.86	-19.61
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076477	1	35	0.0	-33.80	303.69	5.53	-28.27
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076478	0	38	0.0	-42.79	330.74	6.29	-36.50
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012076479	0	33	0.0	-28.73	294.52	5.87	-22.86
CC(C)SC1=CC(Br)=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076480	0	39	0.0	-28.31	344.03	9.83	-18.48
CSC1=CC(Br)=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076481	0	33	0.0	-25.07	303.33	8.53	-16.54
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012076482	0	39	0.0	-43.81	339.84	8.65	-35.16
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)F)C(Br)=C1	REAL300012076484	0	33	0.0	-34.77	307.32	7.27	-27.50
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012076485	0	42	0.0	-43.26	370.01	9.49	-33.77
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076486	0	43	0.0	-31.32	350.14	9.64	-21.68
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076487	0	43	0.0	-32.44	351.43	9.67	-22.77
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076488	0	42	0.0	-30.28	343.77	8.01	-22.27
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012076489	0	40	0.0	-25.16	356.39	10.46	-14.70
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1N1CCOCC1	REAL300012076490	0	42	0.0	-31.61	354.91	7.10	-24.51
COC1=CC(Cl)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1Cl	REAL300012076491	0	33	0.0	-29.75	301.38	7.26	-22.49
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012076492	0	32	0.0	-33.08	304.55	7.13	-25.95
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012076493	0	32	0.0	-32.24	303.81	7.01	-25.23
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])S2)O1	REAL300012076494	0	35	0.0	-34.83	317.36	6.97	-27.86
CC1=CC(Br)=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076495	0	32	0.0	-28.86	281.63	8.19	-20.67
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012076496	0	29	0.0	-34.53	283.78	8.11	-26.42
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012076497	0	36	0.0	-33.31	312.15	6.85	-26.46
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012076498	0	38	0.0	-40.45	320.87	8.53	-31.92
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=NC=C(Br)C=C1Br	REAL300012076499	0	28	0.0	-27.51	282.10	6.30	-21.21
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012076500	0	32	0.0	-34.19	293.29	7.86	-26.33
COCCOC1=CC=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076501	0	40	0.0	-30.80	330.66	6.37	-24.43
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012076502	0	29	0.0	-24.81	280.66	8.09	-16.72
COC1=C(Br)C=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076503	0	33	0.0	-25.77	295.49	7.01	-18.76
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012076504	0	36	0.0	-27.54	310.82	7.34	-20.20
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012076505	0	43	0.0	-30.97	357.32	9.64	-21.33
COC1=CC(Br)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(OC)=C1	REAL300012076506	0	37	0.0	-30.07	324.91	6.06	-24.01
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012076507	0	40	0.0	-30.36	352.30	10.26	-20.10
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012076508	0	44	0.0	-28.69	371.45	8.30	-20.39
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076509	0	39	0.0	-36.07	347.56	9.18	-26.89
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076510	0	48	0.0	-29.66	369.97	10.52	-19.14
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012076511	1	36	0.0	-34.27	312.14	8.92	-25.35
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(Br)=C1	REAL300012076512	0	29	0.0	-29.39	268.94	7.66	-21.73
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1	REAL300012076513	0	46	0.0	-30.23	389.42	11.65	-18.58
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012076514	0	39	0.0	-32.57	344.51	9.18	-23.39
CCN(CC)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076515	0	43	0.0	-34.21	344.32	9.21	-25.00
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1	REAL300012076516	0	29	0.0	-35.38	268.33	7.45	-27.93
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC(OC)=C1OC	REAL300012076517	0	41	0.0	-40.02	341.11	6.02	-34.00
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012076518	0	42	0.0	-36.73	333.21	5.73	-31.00
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076519	0	50	0.0	-30.11	389.89	11.86	-18.25
CCCCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076520	0	42	0.0	-35.61	343.56	8.71	-26.90
CC(C)CCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076521	0	45	0.0	-34.66	358.96	9.15	-25.51
CCCCCCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076522	0	48	0.0	-35.48	386.55	10.27	-25.21
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012076523	0	40	0.0	-35.70	336.39	9.88	-25.82
CCCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(OCCC)=C1	REAL300012076524	0	49	0.0	-29.14	391.31	8.93	-20.21
CCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076525	0	40	0.0	-39.10	329.79	7.03	-32.07
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(OC)=C1OC	REAL300012076526	0	41	0.0	-29.00	339.53	6.23	-22.77
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012076527	0	47	0.0	-38.33	387.54	9.99	-28.34
COC1=CC=C(Br)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076528	0	33	0.0	-27.78	295.76	6.97	-20.81
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC(Br)=C1O	REAL300012076529	0	34	0.0	-34.43	306.16	4.73	-29.70
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012076530	0	39	0.0	-35.64	321.24	10.24	-25.40
COC1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012076531	0	39	0.0	-31.38	317.24	8.33	-23.05
COC1=CC(OC)=C(OC)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076532	0	41	0.0	-29.40	332.31	5.52	-23.88
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1	REAL300012076533	0	51	0.0	-31.63	418.17	14.12	-17.51
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076534	0	39	0.0	-32.15	342.57	8.89	-23.26
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012076535	0	43	0.0	-30.54	358.91	10.33	-20.21
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1Br	REAL300012076536	0	29	0.0	-28.77	257.20	7.44	-21.33
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300012076537	0	36	0.0	-32.11	325.61	8.80	-23.31
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012076538	0	32	0.0	-33.76	288.55	6.17	-27.59
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1I	REAL300012076539	0	29	0.0	-31.66	264.72	7.79	-23.87
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012076540	0	37	0.0	-31.98	322.60	6.17	-25.81
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012076541	0	46	0.0	-48.58	372.20	10.15	-38.43
CN(CCC#N)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076542	0	41	0.0	-34.89	341.82	8.90	-25.99
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012076543	0	39	0.0	-29.62	326.44	8.75	-20.87
CCOC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1OC	REAL300012076544	0	40	0.0	-29.58	328.44	7.06	-22.52
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OCC(N)=O	REAL300012076545	0	41	0.0	-42.49	344.98	4.20	-38.29
CCNC(=O)COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076546	0	47	0.0	-50.43	389.94	6.35	-44.08
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC2=C1OCO2	REAL300012076547	0	36	0.0	-42.07	304.76	4.85	-37.22
COC1=CC2=C(C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-])OC(C)C2	REAL300012076548	0	41	0.0	-29.07	330.51	6.91	-22.16
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012076549	0	45	0.0	-46.71	377.53	3.78	-42.93
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012076550	0	41	0.0	-43.46	364.94	4.85	-38.61
CCN(C(C)=O)C1=NC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CS1	REAL300012076551	1	38	0.0	-44.49	324.78	6.82	-37.67
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(I)=C1	REAL300012076552	0	29	0.0	-32.81	274.80	7.91	-24.90
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(I)C=C1	REAL300012076553	0	29	0.0	-30.30	273.28	8.07	-22.23
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=CC(Br)=C1	REAL300012076554	0	29	0.0	-35.05	289.62	8.04	-27.01
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012076555	0	39	0.0	-37.41	338.80	7.58	-29.83
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076556	0	42	0.0	-23.87	335.70	10.80	-13.07
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076557	0	35	0.0	-42.80	307.71	4.34	-38.46
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012076558	0	39	0.0	-36.29	337.98	10.76	-25.53
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012076559	0	42	0.0	-36.04	351.06	8.41	-27.63
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=N1	REAL300012076560	0	28	0.0	-39.22	265.48	5.68	-33.54
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012076561	0	38	0.0	-31.86	319.17	4.28	-27.58
CC(=O)N(C1=NC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300012076562	1	42	0.0	-41.96	372.21	9.33	-32.63
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012076563	0	32	0.0	-36.18	289.19	7.97	-28.21
CC1=CC=CN2C=C(COC3=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C3)N=C12	REAL300012076564	0	49	0.0	-41.12	405.63	11.23	-29.89
CCOCC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OC	REAL300012076565	0	43	0.0	-32.99	349.08	7.17	-25.82
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012076566	0	32	0.0	-38.63	284.85	6.53	-32.10
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012076567	0	38	0.0	-40.48	340.07	6.37	-34.11
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Br	REAL300012076568	0	32	0.0	-32.28	298.41	8.36	-23.92
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1C(F)(F)F	REAL300012076569	0	32	0.0	-31.38	295.36	8.64	-22.74
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012076570	0	29	0.0	-25.55	266.59	7.41	-18.14
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC=C1Br	REAL300012076571	0	26	0.0	-24.02	254.61	6.52	-17.50
CC(C)COC1=CC=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076572	0	42	0.0	-24.87	337.10	8.74	-16.13
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012076573	0	29	0.0	-30.93	273.20	7.65	-23.28
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012076574	0	29	0.0	-33.69	265.78	7.61	-26.08
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012076575	0	29	0.0	-35.33	270.60	7.62	-27.71
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C)=C1OC	REAL300012076576	0	40	0.0	-34.89	321.61	6.75	-28.14
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012076577	0	26	0.0	-24.79	267.25	6.99	-17.80
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012076578	0	28	0.0	-33.62	272.39	5.40	-28.22
CS(=O)(=O)C1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076579	0	35	0.0	-39.79	307.72	4.33	-35.46
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076580	0	39	0.0	-31.35	323.01	8.54	-22.81
CC1=NC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])N1C1=CC=CC=C1	REAL300012076581	0	39	0.0	-33.85	328.22	9.19	-24.66
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC2=CC=CC=C21	REAL300012076582	0	39	0.0	-35.58	321.50	8.42	-27.16
COC1=CC=CC2=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=CC=C12	REAL300012076583	0	39	0.0	-33.76	318.54	8.40	-25.36
CC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076584	0	39	0.0	-34.06	323.05	8.75	-25.31
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012076585	0	28	0.0	-32.43	273.21	5.18	-27.25
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012076586	0	36	0.0	-32.83	310.19	5.29	-27.54
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(Br)=C1	REAL300012076587	0	33	0.0	-25.33	293.41	6.87	-18.46
CC1=CC(Br)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])S1	REAL300012076588	0	29	0.0	-24.58	277.04	7.40	-17.18
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076589	0	44	0.0	-34.30	356.72	9.53	-24.77
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076590	0	39	0.0	-24.57	332.72	9.59	-14.98
CN1C(=O)CCC2=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C21	REAL300012076591	0	40	0.0	-36.08	322.19	7.89	-28.19
COC1=CC=CC(SC2=CC=CC=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076592	0	44	0.0	-29.69	374.79	10.22	-19.47
CC1=CC=C(OC(F)F)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076593	0	36	0.0	-32.01	307.16	7.17	-24.84
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012076594	0	35	0.0	-35.83	328.78	8.36	-27.47
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012076595	0	35	0.0	-37.74	317.40	8.13	-29.61
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076596	0	46	0.0	-28.75	371.72	10.47	-18.28
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012076597	0	40	0.0	-26.40	343.94	9.34	-17.06
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012076598	0	44	0.0	-37.82	372.28	7.33	-30.49
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012076599	0	34	0.0	-34.96	304.55	8.02	-26.94
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012076600	0	38	0.0	-30.24	318.23	7.63	-22.61
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012076601	0	35	0.0	-35.21	320.84	8.29	-26.92
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012076602	0	32	0.0	-38.95	296.98	6.01	-32.94
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012076603	0	29	0.0	-33.47	281.62	8.03	-25.44
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012076604	0	41	0.0	-35.93	357.45	9.38	-26.55
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)(F)F)C(Br)=C1	REAL300012076605	0	33	0.0	-34.32	314.06	7.50	-26.82
CN1C=C(C2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2)C=N1	REAL300012076606	0	39	0.0	-33.74	325.62	8.26	-25.48
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012076607	0	40	0.0	-38.05	344.28	9.83	-28.22
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012076608	0	39	0.0	-37.53	333.80	8.09	-29.44
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012076609	0	40	0.0	-35.63	346.69	8.53	-27.10
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=N1	REAL300012076610	0	43	0.0	-38.66	357.56	9.34	-29.32
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012076611	0	36	0.0	-36.48	312.93	5.14	-31.34
CC1=CC=CC=C1N1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])N=N1	REAL300012076612	0	38	0.0	-44.13	318.00	7.46	-36.67
CN1N=C(Br)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076613	0	29	0.0	-35.14	270.20	4.93	-30.21
CN1C=C(C2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])S2)C=N1	REAL300012076614	0	36	0.0	-34.73	321.60	7.73	-27.00
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012076615	0	41	0.0	-31.80	324.58	7.85	-23.95
CCOC1=C(Cl)C=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076616	0	36	0.0	-25.69	313.76	7.89	-17.80
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012076617	0	29	0.0	-34.78	276.94	7.92	-26.86
COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076618	0	40	0.0	-31.39	332.09	7.38	-24.01
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012076619	0	33	0.0	-32.46	299.17	6.78	-25.68
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012076620	0	36	0.0	-30.93	305.34	7.82	-23.11
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2Br)C=C1	REAL300012076621	0	39	0.0	-36.78	343.66	10.87	-25.91
CC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012076622	0	42	0.0	-32.94	341.87	9.06	-23.88
CC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012076623	0	42	0.0	-25.99	341.45	8.53	-17.46
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012076624	0	39	0.0	-38.70	346.72	9.12	-29.58
CC1=CC(Br)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1Cl	REAL300012076625	0	32	0.0	-31.56	297.17	8.52	-23.04
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012076626	0	39	0.0	-32.75	348.52	8.88	-23.87
N#CCCN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012076627	0	42	0.0	-38.87	359.13	7.60	-31.27
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012076628	0	35	0.0	-29.26	310.22	10.50	-18.76
COC(=O)C1=C(C)N(C)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076629	0	39	0.0	-36.82	327.23	7.42	-29.40
COCCOCC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076630	0	43	0.0	-36.60	359.73	6.87	-29.73
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012076631	0	29	0.0	-26.25	266.62	6.80	-19.45
CC1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012076632	0	35	0.0	-37.66	318.36	9.42	-28.24
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012076633	0	43	0.0	-39.71	368.92	9.37	-30.34
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(F)C=C1I	REAL300012076634	0	29	0.0	-26.18	275.87	7.91	-18.27
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012076635	0	32	0.0	-38.10	287.25	6.14	-31.96
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])O1	REAL300012076636	0	39	0.0	-30.08	331.75	7.29	-22.79
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012076637	0	28	0.0	-34.64	273.17	5.98	-28.66
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(OC(F)F)=CC=C1Br	REAL300012076638	0	33	0.0	-30.61	297.02	7.04	-23.57
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])S2)C=C1C	REAL300012076639	0	41	0.0	-31.75	348.88	9.19	-22.56
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076640	0	39	0.0	-38.68	330.66	8.71	-29.97
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076641	0	39	0.0	-37.40	344.17	9.48	-27.92
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076642	0	39	0.0	-37.65	340.53	9.34	-28.31
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076643	0	42	0.0	-32.90	348.29	9.46	-23.44
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076644	0	39	0.0	-32.52	347.35	9.46	-23.06
COC1=CC(OC)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1F	REAL300012076645	0	37	0.0	-31.71	311.41	5.77	-25.94
COC1=CC(F)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076646	0	37	0.0	-35.41	310.86	6.29	-29.12
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300012076647	0	43	0.0	-36.10	370.58	10.42	-25.68
CC(C)(C)SC1=C(Br)C=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076648	0	42	0.0	-28.36	345.15	9.99	-18.37
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076649	0	42	0.0	-32.89	347.53	9.50	-23.39
CCCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C)=C1	REAL300012076650	0	42	0.0	-32.73	334.70	8.46	-24.27
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012076651	0	32	0.0	-38.27	296.20	7.96	-30.31
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012076652	0	37	0.0	-26.79	311.42	7.96	-18.83
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012076653	0	33	0.0	-33.08	293.52	6.61	-26.47
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012076654	0	33	0.0	-31.10	291.94	6.75	-24.35
CN1C=C(C2=NN(C)C=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=N1	REAL300012076655	0	39	0.0	-34.22	332.52	5.90	-28.32
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2C1	REAL300012076656	0	53	0.0	-35.50	413.54	10.23	-25.27
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012076657	0	35	0.0	-32.50	328.09	8.54	-23.96
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012076658	0	29	0.0	-39.47	279.79	7.05	-32.42
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012076659	0	29	0.0	-33.64	266.30	7.07	-26.57
CN(C)C1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=CC(F)=C1F	REAL300012076660	0	37	0.0	-27.87	305.17	7.02	-20.85
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C(Br)S1	REAL300012076661	0	33	0.0	-25.33	307.39	6.69	-18.64
CC(C)OC1=CC(Cl)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1Cl	REAL300012076662	0	39	0.0	-33.73	345.13	8.76	-24.97
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012076663	0	41	0.0	-33.27	330.86	6.61	-26.66
CN(C)C1=CC(F)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1F	REAL300012076664	0	37	0.0	-33.22	313.06	6.63	-26.59
COC(=O)C1=C2CCCCN2C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076665	0	43	0.0	-31.96	349.40	8.78	-23.18
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012076666	0	36	0.0	-33.20	315.88	7.33	-25.87
C=CCOC1=C(Cl)C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076667	0	41	0.0	-34.79	358.95	8.33	-26.46
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC1CC1	REAL300012076668	0	41	0.0	-34.99	337.44	7.91	-27.08
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1I	REAL300012076669	0	29	0.0	-24.34	285.99	8.53	-15.81
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076670	0	32	0.0	-31.45	286.70	5.53	-25.92
COCC(C)OC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076671	0	43	0.0	-38.55	350.79	7.11	-31.44
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300012076672	0	46	0.0	-38.16	391.51	7.84	-30.32
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300012076673	0	43	0.0	-29.72	367.68	10.62	-19.10
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012076674	0	36	0.0	-35.80	316.55	9.53	-26.27
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012076675	0	42	0.0	-29.42	340.34	9.18	-20.24
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(C(F)(F)F)=C(Br)C=C1F	REAL300012076676	0	32	0.0	-37.28	307.91	8.40	-28.88
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012076677	0	36	0.0	-31.27	325.03	7.74	-23.53
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300012076678	0	38	0.0	-31.96	337.98	9.35	-22.61
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1C(C)(C)C	REAL300012076679	0	45	0.0	-30.11	346.16	8.95	-21.16
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076680	0	37	0.0	-26.04	318.32	6.17	-19.87
CC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=NC=C1Br	REAL300012076681	0	31	0.0	-34.81	282.46	6.39	-28.42
CC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C(Br)C=C1F	REAL300012076682	0	32	0.0	-30.25	284.54	8.17	-22.08
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012076683	0	30	0.0	-27.15	270.11	4.58	-22.57
CN1C=C(C2=NC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CS2)C=N1	REAL300012076684	0	35	0.0	-39.07	317.16	5.63	-33.44
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012076685	0	35	0.0	-46.20	308.50	6.80	-39.40
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012076686	0	35	0.0	-35.26	298.37	8.48	-26.78
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(Br)=N1	REAL300012076687	0	29	0.0	-35.90	271.18	5.33	-30.57
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012076688	0	28	0.0	-29.31	269.30	5.83	-23.48
COC1=CC(Cl)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC	REAL300012076689	0	37	0.0	-35.37	315.30	6.43	-28.94
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012076690	0	35	0.0	-31.70	306.50	8.76	-22.94
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076691	0	49	0.0	-35.70	395.55	7.49	-28.21
CCOC(=O)C1=C(C)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C(C)N1	REAL300012076692	0	42	0.0	-40.90	349.53	7.29	-33.61
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(F)C=CC(C(F)(F)F)=C1Br	REAL300012076693	0	32	0.0	-29.35	303.73	8.40	-20.95
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012076694	0	39	0.0	-31.00	340.70	11.01	-19.99
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012076695	0	29	0.0	-42.39	279.30	7.58	-34.81
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Br)SC=C1	REAL300012076696	0	26	0.0	-31.98	253.86	6.45	-25.53
CCOC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C(F)C=C1OC	REAL300012076697	0	40	0.0	-38.87	334.29	7.07	-31.80
COC1=NC=C(Br)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076698	0	32	0.0	-26.43	292.60	4.33	-22.10
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CN=C1Br	REAL300012076699	0	28	0.0	-36.30	253.92	5.42	-30.88
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O	REAL300012076700	0	43	0.0	-38.25	368.61	6.52	-31.73
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C(F)C=C1Br	REAL300012076701	0	33	0.0	-34.59	300.77	7.00	-27.59
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012076702	0	29	0.0	-36.81	279.22	7.92	-28.89
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012076703	0	33	0.0	-30.89	300.27	6.83	-24.06
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076704	0	39	0.0	-27.41	320.64	7.97	-19.44
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012076705	0	43	0.0	-41.41	345.24	7.91	-33.50
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012076706	0	33	0.0	-33.17	293.99	6.50	-26.67
CC(C)(C)OC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076707	0	42	0.0	-32.69	327.43	7.96	-24.73
CC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C)=C1Br	REAL300012076708	0	35	0.0	-28.33	298.74	8.73	-19.60
CC1=CC=NC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1Br	REAL300012076709	0	31	0.0	-27.41	277.13	6.21	-21.20
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076710	0	46	0.0	-37.50	371.28	7.14	-30.36
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012076711	0	39	0.0	-33.04	341.45	8.22	-24.82
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012076713	1	30	0.0	-33.48	286.29	4.81	-28.67
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1	REAL300012076714	0	39	0.0	-33.84	355.50	8.61	-25.23
CN1N=C2CCSCC2=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076715	0	37	0.0	-33.81	312.08	6.70	-27.11
CCN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012076716	0	42	0.0	-35.33	344.89	8.74	-26.59
COCC1=C(C)C=C(C)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1C	REAL300012076717	0	45	0.0	-33.73	347.38	8.04	-25.69
CC1=CC(OC2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300012076718	0	43	0.0	-30.25	376.83	10.88	-19.37
CCC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(Cl)=C1	REAL300012076719	0	46	0.0	-32.77	390.35	11.87	-20.90
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012076720	0	40	0.0	-28.55	355.41	10.38	-18.17
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076721	0	43	0.0	-31.29	376.84	10.91	-20.38
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1F	REAL300012076722	0	43	0.0	-32.34	380.02	10.99	-21.35
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(F)=C1	REAL300012076723	0	40	0.0	-30.74	365.70	10.61	-20.13
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076724	0	43	0.0	-26.55	371.24	11.07	-15.48
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1	REAL300012076725	0	40	0.0	-31.74	360.05	10.38	-21.36
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076726	0	46	0.0	-29.24	388.49	11.54	-17.70
CC1=C(Br)C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])S1	REAL300012076727	0	29	0.0	-34.01	280.73	7.36	-26.65
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012076728	0	39	0.0	-36.24	337.97	10.75	-25.49
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(F)=C1I	REAL300012076729	0	29	0.0	-31.07	266.26	7.86	-23.21
CCCOC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1C	REAL300012076730	0	42	0.0	-34.44	339.96	8.59	-25.85
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012076731	0	47	0.0	-39.78	387.13	9.63	-30.15
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012076732	0	43	0.0	-37.85	359.26	7.80	-30.05
CC1=CC=C(Br)C(F)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076733	0	32	0.0	-39.49	292.10	8.06	-31.43
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OC1=CC=C(Cl)C(Cl)=C1	REAL300012076734	0	40	0.0	-31.44	366.25	10.65	-20.79
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C)=C1	REAL300012076735	0	46	0.0	-28.47	391.99	11.54	-16.93
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076736	0	37	0.0	-36.15	302.84	8.56	-27.59
COC1=CC=C(CN2C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])N=N2)C=C1	REAL300012076737	0	42	0.0	-49.49	356.85	6.54	-42.95
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(F)=C1OC	REAL300012076738	0	37	0.0	-29.03	315.69	6.37	-22.66
COC(=O)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(F)=C1	REAL300012076739	0	35	0.0	-33.99	308.20	7.54	-26.45
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012076740	0	39	0.0	-30.30	332.14	7.34	-22.96
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012076741	0	43	0.0	-37.47	360.46	10.18	-27.29
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012076742	0	36	0.0	-32.89	312.20	7.52	-25.37
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=C(Br)S1	REAL300012076743	0	26	0.0	-35.98	281.26	7.32	-28.66
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012076744	0	40	0.0	-35.80	365.91	10.44	-25.36
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1	REAL300012076745	0	40	0.0	-28.87	353.35	10.04	-18.83
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012076746	0	40	0.0	-31.81	369.10	10.72	-21.09
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076747	0	47	0.0	-26.08	386.91	10.48	-15.60
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012076748	0	40	0.0	-28.48	357.24	10.42	-18.06
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC(Cl)=C1	REAL300012076749	0	40	0.0	-25.25	365.42	10.79	-14.46
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012076750	0	40	0.0	-27.99	364.90	10.61	-17.38
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076751	0	44	0.0	-32.36	382.25	10.78	-21.58
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076752	0	45	0.0	-33.96	362.62	9.81	-24.15
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012076753	0	35	0.0	-34.96	329.22	8.35	-26.61
COC1=CC=C(C2=NC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CS2)C=C1	REAL300012076754	0	39	0.0	-34.83	340.61	7.10	-27.73
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076756	0	37	0.0	-35.51	324.91	3.66	-31.85
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076757	0	29	0.0	-35.81	281.10	6.32	-29.49
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076758	0	49	0.0	-29.14	367.15	9.23	-19.91
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1	REAL300012076759	0	43	0.0	-40.93	378.46	10.30	-30.63
CC1=NN2C(=NC(C)=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])S1	REAL300012076760	0	34	0.0	-33.10	302.21	6.04	-27.06
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])S1	REAL300012076761	0	40	0.0	-29.53	343.94	7.52	-22.01
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012076762	0	34	0.0	-29.54	298.72	7.68	-21.86
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012076763	0	29	0.0	-33.77	277.19	7.30	-26.47
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012076764	0	46	0.0	-32.61	381.25	7.67	-24.94
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012076765	0	31	0.0	-32.12	302.15	6.96	-25.16
CN(C)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012076766	0	40	0.0	-32.55	327.40	8.45	-24.10
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076767	0	39	0.0	-30.04	327.22	9.59	-20.45
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076768	0	38	0.0	-39.67	339.41	8.50	-31.17
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012076769	0	48	0.0	-35.55	384.12	10.32	-25.23
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012076770	0	32	0.0	-37.47	307.57	8.38	-29.09
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1	REAL300012076771	0	35	0.0	-43.27	314.52	7.44	-35.83
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012076772	0	32	0.0	-38.62	293.79	8.08	-30.54
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076773	0	40	0.0	-33.55	333.78	8.43	-25.12
COCC1=CC=CC=C1C=C(C)C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076774	0	43	0.0	-31.78	344.01	8.56	-23.22
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076775	0	39	0.0	-29.22	323.29	7.78	-21.44
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012076776	0	38	0.0	-32.21	319.57	8.63	-23.58
COC1=CC=C(N2C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=N2)C=C1	REAL300012076777	0	40	0.0	-37.73	335.35	7.33	-30.40
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076778	0	44	0.0	-35.23	369.43	10.27	-24.96
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012076779	0	31	0.0	-42.79	286.44	4.80	-37.99
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(N2CCCCC2)C(Br)=C1	REAL300012076780	0	44	0.0	-28.78	363.03	9.42	-19.36
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=NC=C1Br	REAL300012076781	0	28	0.0	-31.84	256.14	5.79	-26.05
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])S1	REAL300012076782	0	32	0.0	-44.81	302.28	3.59	-41.22
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012076783	0	49	0.0	-32.27	392.75	10.87	-21.40
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(F)=C1	REAL300012076784	0	34	0.0	-33.54	306.13	1.98	-31.56
CC1=C(Br)C=NC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076785	0	31	0.0	-29.90	273.98	6.31	-23.59
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076786	0	32	0.0	-38.88	284.46	5.44	-33.44
COC1=CC=C(C2=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300012076787	0	45	0.0	-44.70	380.93	5.85	-38.85
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012076788	0	40	0.0	-35.59	324.33	5.52	-30.07
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21	REAL300012076789	0	43	0.0	-38.04	364.49	10.08	-27.96
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012076790	0	39	0.0	-45.15	319.87	4.49	-40.66
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012076791	0	49	0.0	-32.78	387.68	5.90	-26.88
CC(C)(C)OC(=O)NC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])CC(F)F	REAL300012076792	0	45	0.0	-34.86	354.23	5.84	-29.02
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012076793	0	39	0.0	-42.47	322.65	4.62	-37.85
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076794	0	34	0.0	-40.17	301.84	2.00	-38.17
CN1C=CC(C2=NC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CS2)=N1	REAL300012076795	0	35	0.0	-43.09	317.26	5.51	-37.58
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2CCCC2)=N1	REAL300012076796	0	42	0.0	-30.01	333.83	7.86	-22.15
CC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1Br	REAL300012076797	0	32	0.0	-27.48	283.64	8.03	-19.45
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012076798	0	40	0.0	-38.23	344.31	9.82	-28.41
CN(C)C(=O)C1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076799	0	39	0.0	-36.25	319.19	6.67	-29.58
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012076800	0	44	0.0	-28.04	341.67	8.93	-19.11
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012076801	1	28	0.0	-39.01	273.30	5.14	-33.87
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=CC=C1Br	REAL300012076802	0	29	0.0	-28.78	286.76	8.07	-20.71
COC(=O)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1C	REAL300012076803	0	38	0.0	-35.79	318.49	8.24	-27.55
CC1=C(Cl)C=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1Cl	REAL300012076804	0	32	0.0	-24.32	290.99	8.42	-15.90
CC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C(C)C=C1I	REAL300012076805	0	35	0.0	-29.38	307.83	9.27	-20.11
N#CC1=CC=C(Br)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076806	0	30	0.0	-36.53	282.40	7.80	-28.73
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076807	0	42	0.0	-31.26	351.59	8.46	-22.80
COC(=O)COC1=CC=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076808	0	39	0.0	-33.82	333.69	7.86	-25.96
CN(C)C(=O)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076809	0	39	0.0	-36.76	317.56	6.86	-29.90
CCNC(=O)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076810	0	39	0.0	-40.56	327.16	6.02	-34.54
COC1=CC=C2SC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC2=C1	REAL300012076811	0	36	0.0	-37.49	316.11	7.73	-29.76
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076812	0	45	0.0	-39.06	359.29	8.59	-30.47
CCN(C)C(=O)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076813	0	42	0.0	-40.62	342.07	7.76	-32.86
CSC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1Cl	REAL300012076814	0	33	0.0	-31.13	302.88	8.51	-22.62
CC1=NN(C2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C)=C2)C=C1	REAL300012076815	0	42	0.0	-36.64	342.96	9.26	-27.38
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012076816	0	35	0.0	-32.92	318.86	8.92	-24.00
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076817	0	39	0.0	-32.10	338.02	9.34	-22.76
CCC1=CC(Br)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])S1	REAL300012076818	0	32	0.0	-25.31	300.68	8.26	-17.05
CC1=NN(C2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2)C=C1Cl	REAL300012076819	0	39	0.0	-37.94	343.94	9.10	-28.84
COC(=O)C1=CC2=C(C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])O2)N1	REAL300012076820	0	36	0.0	-39.96	316.24	5.83	-34.13
CC(C)(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012076821	0	38	0.0	-30.24	314.85	9.29	-20.95
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012076822	0	29	0.0	-35.83	287.21	8.02	-27.81
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C)=C1	REAL300012076823	0	45	0.0	-23.30	356.38	11.44	-11.86
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076825	0	49	0.0	-39.67	397.09	7.36	-32.31
COC(=O)C1=C2COCCN2C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076826	0	41	0.0	-33.40	341.12	6.40	-27.00
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012076827	0	46	0.0	-35.55	363.79	9.01	-26.54
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076828	0	39	0.0	-35.04	318.97	9.96	-25.08
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012076829	0	32	0.0	-35.13	305.45	8.74	-26.39
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012076830	0	33	0.0	-28.24	303.24	5.74	-22.50
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(Br)=C1	REAL300012076831	0	34	0.0	-32.25	318.17	2.54	-29.71
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012076833	0	29	0.0	-28.94	281.31	7.81	-21.13
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012076834	0	29	0.0	-42.03	278.72	7.56	-34.47
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012076835	0	38	0.0	-47.08	327.34	7.24	-39.84
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])CC1	REAL300012076836	0	49	0.0	-37.85	369.20	7.98	-29.87
CC1=CC(Br)=CN=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076837	0	31	0.0	-25.12	280.77	6.34	-18.78
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012076838	0	35	0.0	-34.78	321.53	4.96	-29.82
CC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OC(F)F	REAL300012076839	0	36	0.0	-28.67	304.83	7.29	-21.38
CC1=NC(Cl)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1Br	REAL300012076840	0	31	0.0	-31.09	290.78	6.69	-24.40
CN1N=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1S(C)(=O)=O	REAL300012076841	1	35	0.0	-41.21	299.62	2.18	-39.03
CCOC1=CC(Br)=CC(F)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076842	0	36	0.0	-30.29	323.66	7.75	-22.54
CC1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])NN=C1C(F)(F)F	REAL300012076843	0	32	0.0	-33.66	285.36	4.99	-28.67
CS(=O)(=O)C1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=CS1	REAL300012076844	1	32	0.0	-28.43	288.43	3.95	-24.48
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2)O1	REAL300012076845	0	46	0.0	-41.26	398.07	9.10	-32.16
CC1=C(Br)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C(C)S1	REAL300012076846	0	32	0.0	-33.11	298.03	7.88	-25.23
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012076847	0	39	0.0	-28.57	333.41	8.24	-20.33
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012076848	0	33	0.0	-31.72	300.73	6.71	-25.01
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012076849	0	35	0.0	-29.24	316.69	8.84	-20.40
CC1=NC=CN1C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C)=C1	REAL300012076850	0	42	0.0	-35.25	342.84	10.05	-25.20
CC1=C(C)N(C2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2)C=N1	REAL300012076851	0	42	0.0	-36.84	345.39	10.65	-26.19
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012076852	0	43	0.0	-33.92	344.13	10.93	-22.99
CCNC(=O)C1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076854	0	39	0.0	-32.60	325.61	6.15	-26.45
CC1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012076855	0	35	0.0	-34.25	302.36	8.25	-26.00
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076856	0	39	0.0	-33.27	327.72	8.17	-25.10
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012076857	0	32	0.0	-34.73	307.01	9.01	-25.72
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC=CC=C2Br)=N1	REAL300012076858	0	39	0.0	-30.92	345.07	8.66	-22.26
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012076859	0	32	0.0	-38.59	287.77	6.03	-32.56
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012076860	0	39	0.0	-28.22	320.35	9.08	-19.14
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1	REAL300012076861	0	36	0.0	-30.42	325.39	7.48	-22.94
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012076862	0	32	0.0	-28.00	283.98	5.80	-22.20
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076863	0	42	0.0	-37.98	363.71	9.69	-28.29
CCOC1=CC=C(Cl)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076864	0	36	0.0	-27.11	313.05	7.80	-19.31
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1	REAL300012076865	0	36	0.0	-32.38	319.88	7.32	-25.06
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012076866	0	36	0.0	-32.90	310.60	6.80	-26.10
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Br)C=CC=C1Br	REAL300012076867	0	29	0.0	-28.17	283.87	7.87	-20.30
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Br)C=CC=C1OC(F)F	REAL300012076868	0	33	0.0	-27.51	298.34	7.00	-20.51
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012076869	0	42	0.0	-33.87	332.30	8.09	-25.78
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012076870	0	36	0.0	-28.50	319.36	8.44	-20.06
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012076871	0	29	0.0	-28.62	279.58	7.71	-20.91
CN(CCO)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=N1	REAL300012076872	0	40	0.0	-33.03	323.03	4.60	-28.43
COC1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012076873	0	45	0.0	-26.16	341.32	8.77	-17.39
CN1C=C(Br)N=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076874	0	29	0.0	-30.62	268.39	5.67	-24.95
CC(C)(OCC1=CC=CC=C1)C1=CC=C(F)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076875	0	52	0.0	-35.73	418.09	11.69	-24.04
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012076876	0	35	0.0	-46.09	304.40	6.16	-39.93
CN1C(=O)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC2=CC=CC=C21	REAL300012076877	0	38	0.0	-43.08	312.80	7.77	-35.31
CC1=CC(C)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C)=C1Br	REAL300012076878	0	38	0.0	-25.86	312.91	9.04	-16.82
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076879	0	39	0.0	-37.95	343.23	7.58	-30.37
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076880	0	46	0.0	-38.90	368.84	7.06	-31.84
CC1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012076881	0	32	0.0	-27.83	285.41	6.58	-21.25
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012076882	0	35	0.0	-36.13	309.96	7.60	-28.53
CCCN1N=C(C)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1Cl	REAL300012076883	0	38	0.0	-30.83	331.76	7.21	-23.62
CC(C)(C#N)C1=NC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])S1	REAL300012076884	0	35	0.0	-40.08	314.53	6.19	-33.89
COC1=CC=C(Br)C(F)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076885	0	33	0.0	-30.87	299.56	6.95	-23.92
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(F)C=C(C(F)(F)F)C=C1Br	REAL300012076886	0	32	0.0	-30.83	309.82	8.38	-22.45
N#CC1=CC(F)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(Br)=C1	REAL300012076887	0	30	0.0	-30.51	291.83	7.94	-22.57
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012076888	0	36	0.0	-35.40	312.60	9.25	-26.15
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012076889	0	35	0.0	-29.17	304.00	9.64	-19.53
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012076890	0	29	0.0	-41.58	289.16	8.02	-33.56
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012076891	0	46	0.0	-25.70	357.21	9.87	-15.83
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012076892	0	40	0.0	-36.69	352.45	10.19	-26.50
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012076893	0	49	0.0	-31.44	377.20	10.32	-21.12
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012076894	0	43	0.0	-31.86	373.67	10.69	-21.17
COC1=CC=CC(OC2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2)=C1	REAL300012076895	0	44	0.0	-35.45	365.85	9.20	-26.25
CCN1CCCC2=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C21	REAL300012076896	0	44	0.0	-30.30	336.58	8.17	-22.13
COCC1=CN=C(OC)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076897	0	39	0.0	-33.93	327.54	3.58	-30.35
CN1N=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1Br	REAL300012076898	0	29	0.0	-28.21	270.41	5.25	-22.96
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076899	0	44	0.0	-34.67	366.94	9.82	-24.85
COC1=C(Br)C=CC(F)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076900	0	33	0.0	-30.92	302.57	6.88	-24.04
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012076901	0	42	0.0	-35.90	356.14	11.49	-24.41
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Br)C=CC=C1OC(F)(F)F	REAL300012076902	0	33	0.0	-28.18	306.62	7.08	-21.10
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012076903	0	33	0.0	-34.87	303.43	8.28	-26.59
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300012076904	0	43	0.0	-31.01	375.66	10.84	-20.17
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012076905	0	42	0.0	-33.91	340.85	7.71	-26.20
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1OC(F)F	REAL300012076906	0	33	0.0	-33.18	306.21	7.08	-26.10
CC1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012076907	0	35	0.0	-37.82	309.88	9.00	-28.82
COC1=CC=C(F)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1OC	REAL300012076908	0	37	0.0	-27.54	309.79	6.24	-21.30
COC1=CC(OC)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C2=NC(Cl)=CC=C12	REAL300012076909	0	42	0.0	-26.28	358.62	6.66	-19.62
CC1=CC=C(F)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1Br	REAL300012076910	0	32	0.0	-29.95	289.26	7.96	-21.99
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012076911	0	52	0.0	-29.85	401.38	11.20	-18.65
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012076912	0	43	0.0	-29.24	347.24	9.39	-19.85
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OCCO	REAL300012076913	0	41	0.0	-36.69	337.47	4.00	-32.69
COC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1OCCO	REAL300012076914	0	41	0.0	-37.63	339.62	4.08	-33.55
CN1C=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012076915	0	39	0.0	-30.02	333.32	5.92	-24.10
COC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012076916	0	48	0.0	-41.30	384.71	7.45	-33.85
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012076917	0	32	0.0	-44.11	281.69	7.96	-36.15
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012076918	0	36	0.0	-31.10	320.40	7.73	-23.37
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012076919	0	38	0.0	-40.27	345.89	8.67	-31.60
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012076920	0	32	0.0	-30.07	291.80	6.04	-24.03
CS(=O)(=O)C1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])SC=C1	REAL300012076921	0	32	0.0	-37.98	287.89	3.99	-33.99
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012076922	0	32	0.0	-38.97	290.28	7.87	-31.10
CC(C)OC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1F	REAL300012076923	0	39	0.0	-31.27	321.02	7.89	-23.38
CS(=O)(=O)C1=CSC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076924	0	32	0.0	-36.76	298.56	3.60	-33.16
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012076925	0	36	0.0	-33.32	321.05	8.69	-24.63
CC1=NN(C2CCCC2)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076926	0	42	0.0	-33.13	333.14	7.84	-25.29
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Br)C=C(C(F)(F)F)S1	REAL300012076927	0	29	0.0	-26.10	295.78	7.80	-18.30
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012076928	0	37	0.0	-29.24	327.46	8.48	-20.76
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076929	0	39	0.0	-37.78	328.59	7.59	-30.19
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012076930	0	32	0.0	-34.48	286.99	8.41	-26.07
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012076931	0	29	0.0	-28.13	286.40	8.04	-20.09
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012076932	0	36	0.0	-38.38	312.26	8.10	-30.28
COC1=NC(C)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C)=C1Cl	REAL300012076933	0	38	0.0	-34.45	319.39	4.97	-29.48
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076934	0	38	0.0	-36.44	322.42	7.35	-29.09
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076935	0	45	0.0	-33.22	351.34	8.45	-24.77
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012076936	0	40	0.0	-33.40	320.91	5.61	-27.79
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076937	0	43	0.0	-31.47	342.67	6.26	-25.21
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012076938	0	34	0.0	-30.77	310.25	8.03	-22.74
NS(=O)(=O)C1=CSC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076939	0	31	0.0	-39.94	292.78	0.83	-39.11
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012076940	0	44	0.0	-43.66	353.17	6.33	-37.33
CC1=NN(C2CCCC2)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076941	0	42	0.0	-34.24	334.53	7.93	-26.31
CC1=CC(Br)=C(F)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076942	0	32	0.0	-34.74	292.89	8.31	-26.43
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012076943	0	29	0.0	-41.52	289.32	8.02	-33.50
COC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1Br	REAL300012076944	0	33	0.0	-25.50	292.55	6.93	-18.57
CN1C=C(C2=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C2)C=N1	REAL300012076945	0	39	0.0	-33.20	325.61	8.25	-24.95
COC1=CC(F)=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1Br	REAL300012076946	0	33	0.0	-32.74	302.10	7.06	-25.68
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012076947	0	39	0.0	-40.12	332.06	9.37	-30.75
CC1=CC=C(Br)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076948	0	32	0.0	-35.08	285.27	8.13	-26.95
COC1=NC2=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C2S1	REAL300012076949	0	35	0.0	-40.04	313.59	4.73	-35.31
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=NC(Br)=C1	REAL300012076950	0	28	0.0	-36.36	263.37	5.55	-30.81
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012076951	0	29	0.0	-35.16	281.46	7.89	-27.27
CC(C)(C)COC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076952	0	45	0.0	-28.08	357.28	9.30	-18.78
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012076953	0	29	0.0	-33.56	289.68	8.19	-25.37
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012076954	0	32	0.0	-31.34	299.37	8.21	-23.13
COC(=O)C1=C(C)NC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1C	REAL300012076955	0	39	0.0	-37.90	330.58	6.61	-31.29
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CC=C2C1	REAL300012076956	0	53	0.0	-35.86	413.54	10.24	-25.62
CC1=CC(Br)=CC(C)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076957	0	35	0.0	-27.25	297.90	8.56	-18.69
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012076958	0	30	0.0	-30.53	276.68	4.64	-25.89
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012076959	0	32	0.0	-26.22	283.68	5.96	-20.26
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012076960	0	45	0.0	-33.23	348.88	10.63	-22.60
CC1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])SC(Br)=C1	REAL300012076961	0	29	0.0	-30.31	275.79	7.34	-22.97
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012076962	0	37	0.0	-39.93	318.37	7.25	-32.68
CCCN1N=C(C)C(Cl)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076963	0	38	0.0	-35.42	330.25	7.13	-28.29
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076964	0	41	0.0	-30.53	347.09	9.00	-21.53
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012076965	0	42	0.0	-30.57	348.28	11.42	-19.15
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=CC(Cl)=C1Br	REAL300012076966	0	29	0.0	-29.27	289.38	8.42	-20.85
CCCCC(=O)NC1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=C1	REAL300012076967	0	45	0.0	-34.33	367.33	8.28	-26.05
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CSC(Br)=C1Br	REAL300012076968	0	26	0.0	-24.87	276.32	7.22	-17.65
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(Br)=C1Br	REAL300012076969	0	29	0.0	-35.86	280.64	7.99	-27.87
CCN(C)C1=CC=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C(C)=C1	REAL300012076970	0	43	0.0	-29.04	335.77	9.00	-20.04
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012076971	0	28	0.0	-34.66	273.62	6.04	-28.62
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012076972	0	26	0.0	-29.51	268.47	6.84	-22.67
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076973	0	50	0.0	-27.60	374.03	9.00	-18.60
COC1=CC(C)=CC(OC)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076974	0	40	0.0	-30.83	324.75	6.19	-24.64
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012076975	0	33	0.0	-34.32	309.67	7.38	-26.94
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012076976	0	39	0.0	-33.13	334.90	9.82	-23.31
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012076977	0	38	0.0	-38.99	318.60	8.57	-30.42
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1	REAL300012076978	0	51	0.0	-34.49	408.08	11.82	-22.67
CC1=CC=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1C(F)(F)F	REAL300012076979	0	35	0.0	-23.36	286.06	8.34	-15.02
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(C(F)(F)F)C=C1Br	REAL300012076980	0	32	0.0	-35.95	300.42	8.43	-27.52
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012076981	0	31	0.0	-35.30	291.60	6.35	-28.95
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012076982	0	34	0.0	-32.79	312.08	7.18	-25.61
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012076983	0	36	0.0	-39.24	309.06	5.54	-33.70
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012076984	0	32	0.0	-36.92	307.83	9.05	-27.87
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076985	0	42	0.0	-37.00	346.16	9.54	-27.46
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(Br)C=C1Br	REAL300012076986	0	29	0.0	-24.79	285.23	8.20	-16.59
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012076987	0	29	0.0	-38.53	281.33	7.63	-30.90
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012076988	0	29	0.0	-32.29	287.00	8.11	-24.18
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012076989	0	31	0.0	-37.28	295.00	8.25	-29.03
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076990	0	36	0.0	-32.64	305.99	8.86	-23.78
COC1=C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])C=CC(Br)=C1F	REAL300012076991	0	33	0.0	-28.36	303.97	7.09	-21.27
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012076992	0	32	0.0	-26.97	288.98	7.98	-18.99
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076993	0	47	0.0	-33.30	374.37	8.55	-24.75
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012076994	0	35	0.0	-38.31	311.58	9.59	-28.72
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012076995	0	42	0.0	-37.29	336.78	3.91	-33.38
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=C(CN2C=C(Br)C=N2)C=C1	REAL300012076996	0	39	0.0	-37.83	352.50	9.09	-28.74
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=C(F)C=C(I)C=C1F	REAL300012076997	0	29	0.0	-32.80	287.60	8.05	-24.75
COC1=CC=C(OC)C(OC)=C1C[NH2+][C@@H](CC(F)F)C(=O)[O-]	REAL300012076998	0	41	0.0	-30.07	334.78	5.65	-24.42
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012076999	0	46	0.0	-31.52	358.39	8.71	-22.81
O=C([O-])[C@H](CC(F)F)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012077000	0	43	0.0	-31.01	362.81	10.42	-20.59
CC1=CC(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012077001	0	38	0.0	-40.13	319.16	8.16	-31.97
COC1=CC=C(Br)C(C[NH2+][C@@H](CC(F)F)C(=O)[O-])=C1O	REAL300012077002	0	34	0.0	-26.50	302.49	4.63	-21.87
CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(C)=C1	REAL300012077003	0	44	0.0	-47.26	361.62	10.57	-36.69
CC1=CC=C(C)C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077004	0	44	0.0	-48.96	359.35	10.53	-38.43
O=C([O-])C(CC(C[NH2+]CC1=CC2=CC=CN=C2C=C1)C(F)(F)F)C(F)(F)F	REAL300012077005	0	43	0.0	-64.35	365.51	9.59	-54.76
O=C([O-])C(CC(C[NH2+]CC1CC2C=CC1C2)C(F)(F)F)C(F)(F)F	REAL300012077006	0	43	0.0	-58.08	340.43	9.75	-48.33
O=C([O-])C(CC(C[NH2+]CC1CCCCC1)C(F)(F)F)C(F)(F)F	REAL300012077007	0	44	0.0	-47.27	347.40	9.62	-37.65
CC(C)(C)C1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077008	0	50	0.0	-59.52	397.69	11.50	-48.02
CC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1C	REAL300012077009	0	44	0.0	-58.57	354.28	10.35	-48.22
CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1C	REAL300012077010	0	44	0.0	-56.11	362.80	10.42	-45.69
N#CC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077011	0	39	0.0	-65.97	347.47	9.66	-56.31
O=C([O-])C(CC(C[NH2+]CC1=CSC2=CC=CC=C12)C(F)(F)F)C(F)(F)F	REAL300012077012	0	41	0.0	-58.80	361.29	10.60	-48.20
O=C([O-])C(CC(C[NH2+]CC1=CC2=CC=CC=C2OC1)C(F)(F)F)C(F)(F)F	REAL300012077013	0	44	0.0	-54.26	376.28	9.91	-44.35
O=C([O-])C(CC(C[NH2+]CC1=CC=C(Cl)S1)C(F)(F)F)C(F)(F)F	REAL300012077014	0	35	0.0	-62.05	329.05	8.90	-53.15
O=C([O-])C(CC(C[NH2+]CC1=CC=CC2=CC=CN=C21)C(F)(F)F)C(F)(F)F	REAL300012077015	0	43	0.0	-57.55	361.61	9.70	-47.85
CCC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)O1	REAL300012077016	0	41	0.0	-56.82	350.76	9.03	-47.79
O=C([O-])C(CC(C[NH2+]CC1=CC(F)=CC=C1F)C(F)(F)F)C(F)(F)F	REAL300012077017	0	38	0.0	-61.77	335.96	9.33	-52.44
O=C([O-])C(CC(C[NH2+]CC1=CC=C(F)C=C1Cl)C(F)(F)F)C(F)(F)F	REAL300012077018	0	38	0.0	-52.00	345.85	9.81	-42.19
O=C([O-])C(CC(C[NH2+]CC1=CC=C(F)C(Cl)=C1)C(F)(F)F)C(F)(F)F	REAL300012077019	0	38	0.0	-64.46	349.20	9.84	-54.62
CCOC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077020	0	45	0.0	-57.66	375.74	9.45	-48.21
CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1F	REAL300012077021	0	41	0.0	-60.29	353.33	9.99	-50.30
O=C([O-])C(CC(C[NH2+]CC1=CC(F)=C(F)C(F)=C1)C(F)(F)F)C(F)(F)F	REAL300012077022	0	38	0.0	-61.87	345.76	9.49	-52.38
O=C([O-])C(CC(C[NH2+]CC1=CC2=CC=CC=C2S1)C(F)(F)F)C(F)(F)F	REAL300012077023	0	41	0.0	-49.92	362.81	10.81	-39.11
O=C([O-])C(CC(C[NH2+]CC1=CC=C(Cl)C(F)=C1)C(F)(F)F)C(F)(F)F	REAL300012077024	0	38	0.0	-64.52	346.98	9.80	-54.72
O=C([O-])C(CC(C[NH2+]CC1=CC=CN=C1Cl)C(F)(F)F)C(F)(F)F	REAL300012077025	0	37	0.0	-54.20	331.18	7.90	-46.30
CC(C)C1=NN(C)C=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077026	0	47	0.0	-54.17	389.47	8.90	-45.27
CC(C)C1=NC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CS1	REAL300012077027	0	43	0.0	-46.76	373.19	8.31	-38.45
CC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)OC=C1	REAL300012077028	0	38	0.0	-56.30	325.68	7.99	-48.31
CC1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CN=C1Cl	REAL300012077029	0	40	0.0	-68.96	352.28	8.40	-60.56
CC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C2=CC=CC=C2O1	REAL300012077030	0	44	0.0	-59.69	373.33	10.40	-49.29
O=C([O-])C(CC(C[NH2+]CC1=COC2=CC=CC=C12)C(F)(F)F)C(F)(F)F	REAL300012077031	0	41	0.0	-63.89	349.69	9.55	-54.34
CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)N=C1	REAL300012077032	0	40	0.0	-50.61	340.67	8.09	-42.52
O=C([O-])C(CC(C[NH2+]CC1=C(Cl)SC=C1)C(F)(F)F)C(F)(F)F	REAL300012077033	0	35	0.0	-45.76	329.58	8.81	-36.95
CCOC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077034	0	44	0.0	-50.30	375.78	6.91	-43.39
CC1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CC=C1Cl	REAL300012077035	0	41	0.0	-60.27	359.85	10.33	-49.94
CCCC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077036	0	47	0.0	-56.24	388.77	11.44	-44.80
COC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1C#N	REAL300012077037	0	43	0.0	-69.77	374.10	8.93	-60.84
CCOC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)N=C1	REAL300012077038	0	44	0.0	-52.55	370.67	7.63	-44.92
C=CCOC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077039	0	46	0.0	-57.83	388.65	10.04	-47.79
CC1=CC(C)=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1C	REAL300012077040	0	47	0.0	-58.30	375.03	10.99	-47.31
CC(C)(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C1=CC=CC=C1	REAL300012077041	0	47	0.0	-56.29	371.48	10.90	-45.39
CC1CCC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)CC1	REAL300012077042	0	47	0.0	-48.67	365.05	10.13	-38.54
CC(CCC1=CC=CC=C1)C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077043	0	50	0.0	-57.00	403.39	12.10	-44.90
CCC1CCCC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C1	REAL300012077044	0	50	0.0	-55.46	383.50	10.79	-44.67
CCCC1CCC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)CC1	REAL300012077045	0	53	0.0	-48.36	411.80	11.76	-36.60
CC1CCCCC1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077046	0	47	0.0	-55.37	355.80	9.79	-45.58
COC1=CC=C(C)C=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077047	0	45	0.0	-57.48	373.55	9.26	-48.22
COC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1F	REAL300012077048	0	42	0.0	-64.02	360.11	8.60	-55.42
CC(C)C1CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)CCO1	REAL300012077049	0	51	0.0	-61.51	392.59	9.24	-52.27
CC1(C)CCC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)CC1	REAL300012077050	0	50	0.0	-48.80	385.22	10.64	-38.16
COC1(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)CCCCC1	REAL300012077051	0	48	0.0	-57.97	364.03	8.53	-49.44
O=C([O-])C(CC(C[NH2+]CC1=CC2=CC=CC=C2O1)C(F)(F)F)C(F)(F)F	REAL300012077052	0	41	0.0	-54.98	352.14	9.79	-45.19
CC1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CC=C1F	REAL300012077053	0	41	0.0	-61.46	351.11	9.92	-51.54
O=C([O-])C(CC(C[NH2+]CC1=C2NC=CC2=CC=C1)C(F)(F)F)C(F)(F)F	REAL300012077054	0	42	0.0	-53.20	355.61	9.26	-43.94
CC(C)CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077055	0	50	0.0	-59.62	401.74	11.83	-47.79
O=C([O-])C(CC(C[NH2+]CC1=CC(F)=CC(Cl)=C1)C(F)(F)F)C(F)(F)F	REAL300012077056	0	38	0.0	-54.20	348.57	9.84	-44.36
CC1=CC=CC(C)=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077057	0	44	0.0	-47.29	359.53	10.36	-36.93
O=C([O-])C(CC(C[NH2+]CC1=CC=C(Cl)C=C1F)C(F)(F)F)C(F)(F)F	REAL300012077058	0	38	0.0	-52.67	349.06	9.86	-42.81
O=C([O-])C(CC(C[NH2+]CC1=CC(Cl)=CC=C1F)C(F)(F)F)C(F)(F)F	REAL300012077059	0	38	0.0	-61.17	346.29	9.77	-51.40
O=C([O-])C(CC(C[NH2+]CC1=CC(F)=CC(F)=C1)C(F)(F)F)C(F)(F)F	REAL300012077060	0	38	0.0	-55.00	338.25	9.40	-45.60
O=C([O-])C(CC(C[NH2+]CC1=CC=CC(Cl)=C1F)C(F)(F)F)C(F)(F)F	REAL300012077061	0	38	0.0	-63.35	343.53	9.70	-53.65
O=C([O-])C(CC(C[NH2+]CC1=CC=CC(F)=C1F)C(F)(F)F)C(F)(F)F	REAL300012077062	0	38	0.0	-64.55	333.64	9.27	-55.28
CN1C2=CC=CC=C2N=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077063	0	44	0.0	-62.11	370.81	9.57	-52.54
COC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=N1	REAL300012077064	0	41	0.0	-55.32	353.79	6.00	-49.32
O=C([O-])C(CC(C[NH2+]CC1=CC=C2OCCC2=C1)C(F)(F)F)C(F)(F)F	REAL300012077065	0	43	0.0	-54.84	360.14	9.10	-45.74
O=C([O-])C(CC(C[NH2+]CC1=C2C=CNC2=CC=C1)C(F)(F)F)C(F)(F)F	REAL300012077066	0	42	0.0	-49.81	354.28	9.26	-40.55
CC1=CC(F)=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077067	0	41	0.0	-52.48	347.94	10.01	-42.47
CC1=NC(C)=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)S1	REAL300012077068	0	40	0.0	-52.49	350.12	7.73	-44.76
O=C([O-])C(CC(C[NH2+]CC1=CC2=CC=CC=C2C=C1)C(F)(F)F)C(F)(F)F	REAL300012077069	0	44	0.0	-59.26	370.49	11.49	-47.77
CN1C=NC2=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CC=C21	REAL300012077070	0	44	0.0	-56.52	372.65	10.61	-45.91
CCN1N=C(C)C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1C	REAL300012077071	0	47	0.0	-52.83	390.46	8.96	-43.87
CC1=CC=C(F)C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077072	0	41	0.0	-57.10	347.70	9.89	-47.21
CC1=CC=C(F)C=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077073	0	41	0.0	-52.80	345.49	9.96	-42.84
CC1=NC=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077074	0	40	0.0	-53.72	334.15	8.07	-45.65
CC1(C)CCCC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C1	REAL300012077075	0	50	0.0	-55.85	379.36	10.44	-45.41
CC1=CCCC(C)C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077076	0	48	0.0	-58.72	361.49	10.16	-48.56
O=C([O-])C(CC(C[NH2+]CC1=CN=CC2=CC=CC=C21)C(F)(F)F)C(F)(F)F	REAL300012077077	0	43	0.0	-63.28	360.41	9.60	-53.68
CC1=CC(Cl)=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077078	0	41	0.0	-51.51	358.27	10.45	-41.06
O=C([O-])C(CC(C[NH2+]CC=CC1=CC=C(F)C=C1)C(F)(F)F)C(F)(F)F	REAL300012077079	0	42	0.0	-64.89	358.94	10.55	-54.34
O=C([O-])C(CC(C[NH2+]CC1=CC=C(Cl)N=C1)C(F)(F)F)C(F)(F)F	REAL300012077080	0	37	0.0	-56.49	337.13	7.90	-48.59
CN1N=NC2=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CC=C21	REAL300012077081	0	43	0.0	-62.22	368.24	7.71	-54.51
O=C([O-])C(CC(C[NH2+]CC1CCCCCC1)C(F)(F)F)C(F)(F)F	REAL300012077082	0	47	0.0	-48.51	363.15	10.14	-38.37
COC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077083	0	41	0.0	-49.80	352.59	5.93	-43.87
CC(C)N1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=N1	REAL300012077084	0	44	0.0	-52.35	368.46	8.46	-43.89
COCC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077085	0	45	0.0	-58.39	381.67	9.00	-49.39
CC1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C(C)O1	REAL300012077086	0	41	0.0	-56.73	348.39	8.89	-47.84
O=C([O-])C(CC(C[NH2+]CC1=NC2=C(CCC2)S1)C(F)(F)F)C(F)(F)F	REAL300012077087	0	41	0.0	-56.22	357.24	8.46	-47.76
COC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077088	0	42	0.0	-63.06	350.05	8.45	-54.61
CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)O1	REAL300012077089	0	38	0.0	-48.80	328.08	8.23	-40.57
O=C([O-])C(CC(C[NH2+]CC1=CC=CC=C1)C(F)(F)F)C(F)(F)F	REAL300012077090	0	38	0.0	-59.86	320.54	9.14	-50.72
O=C([O-])C(CC(C[NH2+]CC1=CC=CC(Cl)=C1)C(F)(F)F)C(F)(F)F	REAL300012077091	0	38	0.0	-59.27	343.34	9.79	-49.48
CC(C)(C)N1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=N1	REAL300012077092	0	47	0.0	-52.02	388.19	9.09	-42.93
CC1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CC(C)=C1	REAL300012077093	0	44	0.0	-48.35	368.24	10.60	-37.75
O=C([O-])C(CC(C[NH2+]CC1=CC=C(CO)O1)C(F)(F)F)C(F)(F)F	REAL300012077094	0	39	0.0	-60.14	340.69	4.90	-55.24
O=C([O-])C(CC(C[NH2+]CC1=CC=CS1)C(F)(F)F)C(F)(F)F	REAL300012077095	0	35	0.0	-47.86	316.97	8.41	-39.45
O=C([O-])C(CC(C[NH2+]CC1=CC=CC=C1Cl)C(F)(F)F)C(F)(F)F	REAL300012077096	0	38	0.0	-45.62	338.64	9.78	-35.84
O=C([O-])C(CC(C[NH2+]CC1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F)C(F)(F)F	REAL300012077097	0	40	0.0	-69.38	354.82	9.96	-59.42
O=C([O-])C(CC(C[NH2+]CC1=CC=C([N+](=O)[O-])C=C1)C(F)(F)F)C(F)(F)F	REAL300012077098	0	40	0.0	-75.73	348.76	9.82	-65.91
O=C([O-])C(CC(C[NH2+]CC1=CC=CC2=CC=CC=C21)C(F)(F)F)C(F)(F)F	REAL300012077099	0	44	0.0	-57.35	365.38	11.36	-45.99
CN(C)C1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077100	0	46	0.0	-59.85	373.06	9.57	-50.28
O=C([O-])C(CC(C[NH2+]CC1=CC=C(Cl)C=C1)C(F)(F)F)C(F)(F)F	REAL300012077101	0	38	0.0	-64.21	337.27	9.67	-54.54
O=C([O-])C(CC(C[NH2+]CC1=C(F)C=CC=C1Cl)C(F)(F)F)C(F)(F)F	REAL300012077102	0	38	0.0	-45.08	342.47	9.67	-35.41
O=C([O-])C(CC(C[NH2+]CC1=CC=C(F)C=C1)C(F)(F)F)C(F)(F)F	REAL300012077103	0	38	0.0	-65.00	327.90	9.25	-55.75
O=C([O-])C(CC(C[NH2+]CC1=CC=C(F)C=C1F)C(F)(F)F)C(F)(F)F	REAL300012077104	0	38	0.0	-53.42	338.73	9.40	-44.02
O=C([O-])C(CC(C[NH2+]CC1CC=CCC1)C(F)(F)F)C(F)(F)F	REAL300012077105	0	42	0.0	-60.78	337.18	9.49	-51.29
COC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077106	0	42	0.0	-57.84	353.88	8.52	-49.32
CC(=CC1=CC=CC=C1)C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077107	0	45	0.0	-61.32	368.78	10.91	-50.41
CC(C)C1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077108	0	47	0.0	-59.85	380.77	11.08	-48.77
CCOC1=CC=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077109	0	45	0.0	-46.11	376.70	9.61	-36.50
CCOC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077110	0	45	0.0	-62.51	372.85	9.41	-53.10
O=C([O-])C(CC(C[NH2+]CC1=CC=CC=C1F)C(F)(F)F)C(F)(F)F	REAL300012077111	0	38	0.0	-46.41	329.99	9.31	-37.10
O=C([O-])C(CC(C[NH2+]CC1=CC=CC(F)=C1)C(F)(F)F)C(F)(F)F	REAL300012077112	0	38	0.0	-60.22	333.02	9.36	-50.86
COC1=CC=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077113	0	42	0.0	-46.47	354.84	8.68	-37.79
CC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)SC=C1	REAL300012077114	0	38	0.0	-48.53	331.82	8.92	-39.61
CC1=CC=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077115	0	41	0.0	-47.89	341.56	9.93	-37.96
CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077116	0	41	0.0	-59.75	342.90	9.86	-49.89
N#CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077117	0	39	0.0	-70.70	342.34	9.57	-61.13
CSC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077118	0	42	0.0	-63.43	360.77	10.17	-53.26
CC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077119	0	41	0.0	-56.37	348.02	9.96	-46.41
O=C([O-])C(CC(C[NH2+]CC1=CSC=C1)C(F)(F)F)C(F)(F)F	REAL300012077120	0	35	0.0	-50.77	314.23	8.21	-42.56
CCC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077121	0	44	0.0	-59.94	363.43	10.59	-49.35
CC1=CC(C)=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(C)=C1	REAL300012077122	0	47	0.0	-48.64	377.04	10.95	-37.69
O=C([O-])C(CC(C[NH2+]CC1=C(F)C=CC=C1F)C(F)(F)F)C(F)(F)F	REAL300012077123	0	38	0.0	-45.98	333.09	9.26	-36.72
O=C([O-])C(CC(C[NH2+]CC1=CC=C(F)C(F)=C1)C(F)(F)F)C(F)(F)F	REAL300012077124	0	38	0.0	-65.86	337.10	9.35	-56.51
CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)S1	REAL300012077125	0	38	0.0	-58.29	333.89	9.08	-49.21
COC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1O	REAL300012077126	0	43	0.0	-61.98	364.64	6.36	-55.62
CC1=NN(C)C(C)=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077127	0	44	0.0	-51.78	367.61	8.05	-43.73
CC1=NN(C)C(Cl)=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077128	0	41	0.0	-50.30	364.91	7.95	-42.35
CCC1=NN(C)C=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077129	0	44	0.0	-53.12	359.75	8.25	-44.87
O=C([O-])C(CC(C[NH2+]CC1=CC=CN=C1)C(F)(F)F)C(F)(F)F	REAL300012077130	0	37	0.0	-52.97	320.25	7.48	-45.49
O=C([O-])C(CC(C[NH2+]CC1=CC=CO1)C(F)(F)F)C(F)(F)F	REAL300012077131	0	35	0.0	-51.03	303.85	7.38	-43.65
O=C([O-])C(CC(C[NH2+]CC1=CC=NC=C1)C(F)(F)F)C(F)(F)F	REAL300012077132	0	37	0.0	-65.28	316.36	7.41	-57.87
O=C([O-])C(CC(C[NH2+]CC1=CC=C(Cl)O1)C(F)(F)F)C(F)(F)F	REAL300012077133	0	35	0.0	-51.20	323.23	8.03	-43.17
C#CCOC1=CC=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077134	0	44	0.0	-47.63	382.48	10.15	-37.48
CC1=NOC(C)=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077135	0	40	0.0	-56.43	341.38	8.05	-48.38
CC1=NC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CS1	REAL300012077136	0	37	0.0	-47.52	333.31	7.03	-40.49
CN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=N1	REAL300012077137	0	38	0.0	-53.83	329.56	7.11	-46.72
COC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1C	REAL300012077138	0	45	0.0	-59.26	376.18	9.32	-49.94
CC(C)(C)C1=NNC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077139	0	47	0.0	-52.91	368.03	8.04	-44.87
O=C([O-])C(CC(C[NH2+]CC1=NC=CN1)C(F)(F)F)C(F)(F)F	REAL300012077140	0	35	0.0	-63.14	303.42	5.96	-57.18
CN1C=CN=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077141	0	38	0.0	-58.73	324.04	7.59	-51.14
CC(C)(C)C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077142	0	40	0.0	-52.49	319.27	8.28	-44.21
COC1=CC=C(F)C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077143	0	42	0.0	-49.87	357.09	8.58	-41.29
CSC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)S1	REAL300012077144	0	39	0.0	-60.96	355.30	9.50	-51.46
O=C([O-])C(CC(C[NH2+]CC1=CC=CC2=C1OCO2)C(F)(F)F)C(F)(F)F	REAL300012077145	0	41	0.0	-51.46	351.44	7.92	-43.54
O=C([O-])C(CC(C[NH2+]CC1=CN=CN=C1)C(F)(F)F)C(F)(F)F	REAL300012077146	0	36	0.0	-57.41	312.09	7.24	-50.17
O=C([O-])C(CC(C[NH2+]CC1=C(Cl)C=CS1)C(F)(F)F)C(F)(F)F	REAL300012077147	0	35	0.0	-46.84	328.62	8.79	-38.05
COC1=CC=C(F)C=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077148	0	42	0.0	-59.25	356.32	8.61	-50.64
O=C([O-])C(CC(C[NH2+]CC1=NNC=C1)C(F)(F)F)C(F)(F)F	REAL300012077149	0	35	0.0	-59.91	303.90	5.64	-54.27
NC(=O)C1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077150	0	42	0.0	-70.96	356.03	5.96	-65.00
COC1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CC=C1F	REAL300012077151	0	42	0.0	-65.18	360.12	8.59	-56.59
O=C([O-])C(CC(C[NH2+]CC1=CN=CS1)C(F)(F)F)C(F)(F)F	REAL300012077152	0	34	0.0	-52.60	307.86	6.49	-46.11
CN1C=NC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077153	0	38	0.0	-55.25	324.40	8.40	-46.85
CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1Cl	REAL300012077154	0	41	0.0	-59.26	362.07	10.39	-48.87
COC1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CC=C1C	REAL300012077155	0	45	0.0	-59.02	373.96	9.27	-49.75
O=C([O-])C(CC(C[NH2+]CC1=CSC=N1)C(F)(F)F)C(F)(F)F	REAL300012077156	1	34	0.0	-58.01	306.39	6.18	-51.83
CC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1F	REAL300012077157	0	41	0.0	-59.08	347.66	9.85	-49.23
N#CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(F)=C1	REAL300012077158	0	39	0.0	-57.90	351.81	9.68	-48.22
CC1=NNC(C)=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077159	0	41	0.0	-52.70	347.23	6.84	-45.86
CC1=NNC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077160	0	38	0.0	-54.44	323.76	6.33	-48.11
CN1N=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077161	0	38	0.0	-56.84	324.88	6.83	-50.01
O=C([O-])C(CC(C[NH2+]CC1=CN2C=CC=CC2=N1)C(F)(F)F)C(F)(F)F	REAL300012077162	0	41	0.0	-50.55	353.72	9.83	-40.72
O=C([O-])C(CC(C[NH2+]CC1=CSC(C2CC2)=N1)C(F)(F)F)C(F)(F)F	REAL300012077163	0	41	0.0	-47.71	363.21	8.53	-39.18
CCC1=NC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CS1	REAL300012077164	0	40	0.0	-46.79	353.47	7.75	-39.04
CC1=NN(C)C=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077165	0	41	0.0	-54.25	346.33	7.58	-46.67
CCN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=N1	REAL300012077166	0	41	0.0	-53.00	349.77	7.94	-45.06
CN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)N=N1	REAL300012077167	1	37	0.0	-62.74	321.18	5.73	-57.01
NC(=O)C1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077168	0	42	0.0	-63.38	361.16	6.05	-57.33
CN1C=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077169	0	38	0.0	-59.79	326.86	6.95	-52.84
O=C([O-])C(CC(C[NH2+]CC1CCCCCCC1)C(F)(F)F)C(F)(F)F	REAL300012077170	0	50	0.0	-59.62	366.36	10.44	-49.18
CC1=CSC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077171	0	37	0.0	-49.96	329.69	6.98	-42.98
COC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1F	REAL300012077172	0	42	0.0	-63.15	358.87	8.57	-54.58
O=C([O-])C(CC(C[NH2+]CC1=CC=C2CCCC2=C1)C(F)(F)F)C(F)(F)F	REAL300012077173	0	45	0.0	-48.85	370.96	11.17	-37.68
O=C([O-])C(CC(C[NH2+]CC1=COC=N1)C(F)(F)F)C(F)(F)F	REAL300012077174	1	34	0.0	-58.19	299.79	3.83	-54.36
CCN1N=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077175	0	41	0.0	-55.07	340.82	7.76	-47.31
O=C([O-])C(CC(C[NH2+]CC1=CC2=CC=NC=C2C=C1)C(F)(F)F)C(F)(F)F	REAL300012077176	0	43	0.0	-64.10	367.61	9.77	-54.33
CC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)SC=N1	REAL300012077177	0	37	0.0	-50.66	328.94	7.00	-43.66
COC1=CC(F)=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077178	0	42	0.0	-53.74	362.66	8.67	-45.07
CC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=CS1	REAL300012077179	0	38	0.0	-47.73	332.66	9.00	-38.73
O=C([O-])C(CC(C[NH2+]CC1=CC=C2CCCCC2=C1)C(F)(F)F)C(F)(F)F	REAL300012077180	0	48	0.0	-49.04	389.44	11.79	-37.25
N#CC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077181	0	38	0.0	-55.74	341.36	7.74	-48.00
COC(=O)C1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CN1	REAL300012077182	0	42	0.0	-64.08	368.27	7.71	-56.37
COCC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)O1	REAL300012077183	0	42	0.0	-59.12	360.71	7.25	-51.87
CC1=NC(F)=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077184	0	40	0.0	-59.05	339.46	7.98	-51.07
COC1=CC(C)=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077185	0	45	0.0	-46.40	376.30	9.33	-37.07
CC1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CS1	REAL300012077186	0	38	0.0	-56.55	338.48	9.03	-47.52
CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)N=N1	REAL300012077187	0	39	0.0	-61.69	335.90	6.94	-54.75
CN1N=NC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077188	0	37	0.0	-61.89	321.76	5.72	-56.17
O=C([O-])C(CC(C[NH2+]CC1=CC(Cl)=CS1)C(F)(F)F)C(F)(F)F	REAL300012077189	0	35	0.0	-61.47	328.88	8.79	-52.68
CC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)N(C)N=C1	REAL300012077190	0	41	0.0	-53.69	346.33	7.45	-46.24
CC1=CC(Cl)=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077191	0	41	0.0	-50.59	363.56	10.44	-40.15
COCC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077192	0	45	0.0	-62.18	376.55	8.91	-53.27
O=C([O-])C(CC(C[NH2+]CC1=CC=C(C2CC2)C=C1)C(F)(F)F)C(F)(F)F	REAL300012077193	0	45	0.0	-60.51	369.76	11.25	-49.26
O=C([O-])C(CC(C[NH2+]CC1=NC=C(Cl)S1)C(F)(F)F)C(F)(F)F	REAL300012077194	1	34	0.0	-52.03	324.95	7.00	-45.03
C=CN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=N1	REAL300012077195	0	39	0.0	-53.70	340.02	8.28	-45.42
O=C([O-])C(CC(C[NH2+]CC1=CC=C(C(F)F)C=C1)C(F)(F)F)C(F)(F)F	REAL300012077196	0	41	0.0	-64.61	352.71	10.02	-54.59
CC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=NN1C	REAL300012077197	0	41	0.0	-54.11	344.78	7.47	-46.64
O=C([O-])C(CC(C[NH2+]CC1=CN=C(C2CC2)N=C1)C(F)(F)F)C(F)(F)F	REAL300012077198	0	43	0.0	-57.08	372.23	9.06	-48.02
COCCN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=N1	REAL300012077199	0	45	0.0	-54.58	384.76	7.02	-47.56
O=C([O-])C(CC(C[NH2+]CC1=CC=C(C2CCC2)C=C1)C(F)(F)F)C(F)(F)F	REAL300012077200	0	48	0.0	-59.95	386.30	11.73	-48.22
N#CC1=CSC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077201	0	36	0.0	-69.83	335.25	8.76	-61.07
COC1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CC=C1C#N	REAL300012077202	0	43	0.0	-70.99	374.10	8.94	-62.05
CC1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CC=C1C#N	REAL300012077203	0	42	0.0	-67.33	364.39	10.11	-57.22
CC1=CN=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)S1	REAL300012077204	0	37	0.0	-49.81	330.96	7.20	-42.61
CC(C)CN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=N1	REAL300012077205	0	47	0.0	-53.16	392.40	9.51	-43.65
O=C([O-])C(CC(C[NH2+]CC1=CC=CC=C1C1CC1)C(F)(F)F)C(F)(F)F	REAL300012077206	0	45	0.0	-54.99	369.64	11.30	-43.69
CCC1=CN=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)S1	REAL300012077207	0	40	0.0	-49.78	352.44	7.98	-41.80
CC1=NN(C(C)C)C=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077208	0	47	0.0	-53.67	387.67	8.98	-44.69
O=C([O-])C(CC(C[NH2+]CC1=CN=C(C2CC2)S1)C(F)(F)F)C(F)(F)F	REAL300012077209	0	41	0.0	-52.41	361.02	8.88	-43.53
CC(C)C1=NC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)S1	REAL300012077210	0	43	0.0	-58.29	375.58	8.61	-49.68
O=C([O-])C(CC(C[NH2+]CC1=CN(CC(F)F)N=C1)C(F)(F)F)C(F)(F)F	REAL300012077211	0	41	0.0	-55.41	364.09	8.27	-47.14
NC(=O)C1=CSC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077212	0	39	0.0	-67.19	348.11	5.04	-62.15
CCC1=CC=CC(F)=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077213	0	44	0.0	-47.53	365.37	10.55	-36.98
O=C([O-])C(CC(C[NH2+]CC1=NN(C(F)F)C=C1)C(F)(F)F)C(F)(F)F	REAL300012077214	0	38	0.0	-53.86	339.34	7.15	-46.71
CC(C)C1=CN=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)S1	REAL300012077215	0	43	0.0	-49.25	371.67	8.60	-40.65
O=C([O-])C(CC(C[NH2+]CC1=C(C2CC2)N=CS1)C(F)(F)F)C(F)(F)F	REAL300012077216	0	41	0.0	-58.40	359.88	8.65	-49.75
CCN1N=C(C)C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077217	1	43	0.0	-63.05	363.13	6.82	-56.23
O=C([O-])C(CC(C[NH2+]CC1=CC=CC(C2CC2)=C1)C(F)(F)F)C(F)(F)F	REAL300012077218	0	45	0.0	-56.74	373.60	11.32	-45.42
CC1=NN(C)C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077219	0	41	0.0	-62.57	346.95	7.38	-55.19
N#CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1F	REAL300012077220	0	39	0.0	-71.74	353.37	9.72	-62.02
CC1=CC(F)=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(F)=C1	REAL300012077221	0	41	0.0	-45.77	354.49	9.95	-35.82
CC(C)CN1N=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077222	0	47	0.0	-55.44	385.39	9.25	-46.19
CC(C)C1=CC=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077223	0	47	0.0	-47.73	380.65	11.10	-36.63
O=C([O-])C(CC(C[NH2+]CC1=NN2CCCCC2=C1)C(F)(F)F)C(F)(F)F	REAL300012077224	0	45	0.0	-48.17	371.34	8.64	-39.53
O=C([O-])C(CC(C[NH2+]CC1=CC2=CN=CC=C2O1)C(F)(F)F)C(F)(F)F	REAL300012077225	0	40	0.0	-58.15	346.86	8.05	-50.10
CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(Cl)=C1	REAL300012077226	0	41	0.0	-47.26	359.53	10.38	-36.88
CCC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077227	0	44	0.0	-56.20	367.27	10.65	-45.55
COC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(F)=C1	REAL300012077228	0	42	0.0	-51.69	360.49	8.60	-43.09
O=C([O-])C(CC(C[NH2+]CC1=CC=CC2=C1CCC2)C(F)(F)F)C(F)(F)F	REAL300012077229	0	45	0.0	-48.53	370.96	11.13	-37.40
COC1=CC=CC(F)=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077230	0	42	0.0	-45.10	356.59	8.63	-36.47
O=C([O-])C(CC(C[NH2+]CC1=C2CCCN2N=C1)C(F)(F)F)C(F)(F)F	REAL300012077231	0	42	0.0	-60.17	350.86	7.83	-52.34
C=CCCN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)N=N1	REAL300012077232	1	44	0.0	-62.11	376.92	7.88	-54.23
O=C([O-])C(CC(C[NH2+]CC1=CC=NN1CC1CC1)C(F)(F)F)C(F)(F)F	REAL300012077233	0	45	0.0	-54.23	380.41	9.34	-44.89
COC1=NC=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077234	0	41	0.0	-50.19	348.88	6.01	-44.18
COCC1=CSC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077235	0	42	0.0	-61.01	369.51	8.06	-52.95
O=C([O-])C(CC(C[NH2+]CC1=CN(C2CCC2)N=N1)C(F)(F)F)C(F)(F)F	REAL300012077236	1	44	0.0	-61.46	366.56	7.69	-53.77
O=C([O-])C(CC(C[NH2+]CC1=CC=C(F)C(F)=C1F)C(F)(F)F)C(F)(F)F	REAL300012077237	0	38	0.0	-67.45	338.89	9.34	-58.11
CCCN1N=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077238	0	44	0.0	-54.93	362.32	8.52	-46.41
CCCC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)S1	REAL300012077239	0	44	0.0	-49.61	379.35	10.72	-38.89
CC(C)C1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077240	0	47	0.0	-56.28	386.83	11.20	-45.08
CN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(Cl)=N1	REAL300012077241	0	38	0.0	-55.43	343.66	7.48	-47.95
CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(F)=C1	REAL300012077242	0	41	0.0	-48.63	352.40	9.97	-38.66
CN1N=CC2=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CN=C21	REAL300012077243	0	43	0.0	-61.20	371.06	8.44	-52.76
CC1=C(C)C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CS1	REAL300012077244	0	41	0.0	-49.90	350.84	9.59	-40.31
O=C([O-])C(CC(C[NH2+]CC1=CN=C(Cl)C(F)=C1)C(F)(F)F)C(F)(F)F	REAL300012077245	0	37	0.0	-72.36	339.37	7.86	-64.50
CC1=C(Cl)C=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077246	0	41	0.0	-62.91	352.85	10.30	-52.61
O=C([O-])C(CC(C[NH2+]CC1=CC(F)=CC(F)=C1O)C(F)(F)F)C(F)(F)F	REAL300012077247	1	39	0.0	-55.01	347.69	6.61	-48.40
O=C([O-])C(CC(C[NH2+]CC1=CC=CC2=C1CCOC2)C(F)(F)F)C(F)(F)F	REAL300012077248	0	46	0.0	-52.72	371.08	9.22	-43.50
O=C([O-])C(CC(C[NH2+]CC1=CC=CC2=NC=CC=C12)C(F)(F)F)C(F)(F)F	REAL300012077249	0	43	0.0	-63.27	360.51	9.47	-53.80
O=C([O-])C(CC(C[NH2+]CC1=CC2=NC=CN=C2C=C1)C(F)(F)F)C(F)(F)F	REAL300012077250	0	42	0.0	-65.42	362.66	7.70	-57.72
CC1=COC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077251	0	38	0.0	-48.89	328.07	8.10	-40.79
O=C([O-])C(CC(C[NH2+]CC1=CC=C(Cl)C=N1)C(F)(F)F)C(F)(F)F	REAL300012077252	0	37	0.0	-53.55	335.98	7.93	-45.62
CC1=CC(C#N)=CC(C)=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077253	0	45	0.0	-57.84	378.18	10.69	-47.15
CC1=CN=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)O1	REAL300012077254	1	37	0.0	-57.81	321.79	4.79	-53.02
O=C([O-])C(CC(C[NH2+]CC1=CN(CCF)N=C1)C(F)(F)F)C(F)(F)F	REAL300012077255	0	41	0.0	-53.77	357.69	8.12	-45.65
CC(C)(C)C1=COC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077256	1	46	0.0	-58.00	381.93	6.59	-51.41
CCCC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077257	0	47	0.0	-59.62	385.88	11.40	-48.22
CC1=C2C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=NC2=NN1	REAL300012077258	0	43	0.0	-63.23	369.82	7.83	-55.40
O=C([O-])C(CC(C[NH2+]CC1=NC=CS1)C(F)(F)F)C(F)(F)F	REAL300012077259	0	34	0.0	-55.70	309.17	6.36	-49.34
CN1N=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C2=CC=CC=C21	REAL300012077260	0	44	0.0	-52.75	376.70	9.23	-43.52
O=C([O-])C(CC(C[NH2+]CC1=C2C=CC=CC2=NN1)C(F)(F)F)C(F)(F)F	REAL300012077261	0	41	0.0	-61.68	351.15	7.88	-53.80
O=C([O-])C(CC(C[NH2+]CC1=NNC2=CC=CC=C21)C(F)(F)F)C(F)(F)F	REAL300012077261	1	41	0.0	-50.33	352.51	7.89	-42.44
CCC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)S1	REAL300012077262	0	41	0.0	-49.73	357.85	9.95	-39.78
O=C([O-])C(CC(C[NH2+]CC1=NC=CC2=CC=CC=C21)C(F)(F)F)C(F)(F)F	REAL300012077263	0	43	0.0	-48.34	363.16	9.55	-38.79
CC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)N2C=CC=CC2=N1	REAL300012077264	0	44	0.0	-63.53	373.09	10.25	-53.28
CCC1=NC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)S1	REAL300012077265	0	40	0.0	-58.42	352.57	7.94	-50.48
COC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)SC=C1	REAL300012077266	0	39	0.0	-45.52	343.23	7.65	-37.87
O=C([O-])C(CC(C[NH2+]CC1=CSC=C1Cl)C(F)(F)F)C(F)(F)F	REAL300012077267	0	35	0.0	-47.77	330.06	8.67	-39.10
CCCC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C1=CC=CC=C1	REAL300012077268	0	50	0.0	-58.07	401.22	11.91	-46.16
O=C([O-])C(CC(C[NH2+]CC1CC2CCC1C2)C(F)(F)F)C(F)(F)F	REAL300012077269	0	45	0.0	-59.12	346.11	9.81	-49.31
O=C([O-])C(CC(C[NH2+]CC1=CC=C(F)N=C1)C(F)(F)F)C(F)(F)F	REAL300012077270	0	37	0.0	-58.29	328.01	7.46	-50.83
CC1(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)CCC1	REAL300012077271	0	41	0.0	-56.67	325.27	8.85	-47.82
CC1(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)CC1	REAL300012077272	0	38	0.0	-53.26	312.82	8.58	-44.68
O=C([O-])C(CC(C[NH2+]CC1(C(F)F)CC1)C(F)(F)F)C(F)(F)F	REAL300012077273	0	38	0.0	-50.63	325.09	8.83	-41.80
CC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)NN=C1	REAL300012077274	0	38	0.0	-55.29	322.14	6.27	-49.02
CC1=CNN=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077274	1	38	0.0	-55.52	326.38	6.28	-49.24
CC1=CN=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)N1C	REAL300012077275	0	41	0.0	-52.63	343.51	8.11	-44.52
CC(C)C1CCC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)CC1	REAL300012077276	0	53	0.0	-47.51	396.27	11.09	-36.42
CCC1=NOC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077277	0	40	0.0	-54.49	339.18	8.09	-46.40
CN1N=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1Cl	REAL300012077278	0	38	0.0	-51.35	342.89	7.39	-43.96
O=C([O-])C(CC(C[NH2+]CC1=CC2=CC=CN=C2O1)C(F)(F)F)C(F)(F)F	REAL300012077279	0	40	0.0	-68.18	346.64	6.71	-61.47
CC1=CN=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077280	0	40	0.0	-52.91	336.90	8.15	-44.76
O=C([O-])C(CC(C[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1)C(F)(F)F)C(F)(F)F	REAL300012077281	0	45	0.0	-58.11	373.55	11.35	-46.76
CC(C)N1C=CN=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077283	0	44	0.0	-57.83	367.47	9.10	-48.73
CN1N=CC(C2CC2)=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077284	0	45	0.0	-61.65	377.34	8.93	-52.72
CC1=NC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)N1C	REAL300012077285	0	41	0.0	-61.28	345.33	8.20	-53.08
CC1=C2C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)NC2=CC=C1	REAL300012077286	0	45	0.0	-55.47	375.94	9.83	-45.64
CC1=CC=C2C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)NC2=C1	REAL300012077287	0	45	0.0	-55.25	376.37	9.84	-45.41
CC1=NC=CN=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077288	0	39	0.0	-63.37	330.96	6.04	-57.33
CCOC1=CN=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077289	0	44	0.0	-64.87	368.06	7.58	-57.29
O=C([O-])C(CC(C[NH2+]CC1=CC=NC=C1Cl)C(F)(F)F)C(F)(F)F	REAL300012077290	0	37	0.0	-50.11	333.95	8.01	-42.10
O=C([O-])C(CC(C[NH2+]CC1=CC=CC2=NNC=C21)C(F)(F)F)C(F)(F)F	REAL300012077291	0	41	0.0	-60.13	349.23	7.94	-52.19
CCC(F)(F)C(C)(C)C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077292	0	46	0.0	-55.05	362.93	9.57	-45.48
O=C([O-])C(CC(C[NH2+]CC1=CC=NC(F)=C1)C(F)(F)F)C(F)(F)F	REAL300012077293	0	37	0.0	-66.59	325.68	7.40	-59.19
O=C([O-])C(CC(C[NH2+]CC1=CC=C2C=CNC2=C1)C(F)(F)F)C(F)(F)F	REAL300012077294	0	42	0.0	-53.97	355.63	9.29	-44.68
O=C([O-])C(CC(C[NH2+]CC1=CC=C(C(F)F)N=C1)C(F)(F)F)C(F)(F)F	REAL300012077295	0	40	0.0	-57.15	356.17	8.38	-48.77
COC1=CN=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1C	REAL300012077296	0	44	0.0	-60.79	365.86	7.39	-53.40
CCCN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)N=N1	REAL300012077297	1	43	0.0	-62.28	364.10	7.33	-54.95
O=C([O-])C(CC(C[NH2+]CC1=CN(C2CC2)C=N1)C(F)(F)F)C(F)(F)F	REAL300012077298	0	42	0.0	-47.42	358.12	9.96	-37.46
CC1=NSC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077299	0	37	0.0	-61.54	333.17	7.70	-53.84
CCN1N=CN=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077300	1	40	0.0	-57.51	334.91	8.35	-49.16
O=C([O-])C(CC(C[NH2+]CC1=CN=C(C2CC2)O1)C(F)(F)F)C(F)(F)F	REAL300012077301	0	41	0.0	-52.49	354.14	6.56	-45.93
CCC1=CNC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077302	0	41	0.0	-51.09	348.20	7.33	-43.76
O=C([O-])C(CC(C[NH2+]CC1=NC=CC2=C1CCCC2)C(F)(F)F)C(F)(F)F	REAL300012077303	0	47	0.0	-55.00	379.57	9.78	-45.22
CC1=NN(C)C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1Cl	REAL300012077304	0	41	0.0	-55.47	363.34	7.92	-47.55
O=C([O-])C(CC(C[NH2+]CC1=CC=C2OCCCC2=C1)C(F)(F)F)C(F)(F)F	REAL300012077305	0	46	0.0	-51.80	380.45	9.93	-41.87
CCC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(Cl)=NN1	REAL300012077306	0	41	0.0	-49.31	364.81	7.42	-41.89
CCC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(C)=NO1	REAL300012077307	0	43	0.0	-55.28	357.81	8.83	-46.45
CCN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)N=N1	REAL300012077308	1	40	0.0	-62.54	342.61	6.58	-55.96
CCOC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)O1	REAL300012077309	0	42	0.0	-51.15	361.04	8.78	-42.37
CCN1C=NC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077310	0	41	0.0	-58.47	347.86	9.41	-49.06
CC1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CN=C1F	REAL300012077311	0	40	0.0	-70.59	343.41	7.96	-62.63
CC1=CC(F)=NC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077312	0	40	0.0	-58.88	340.38	7.96	-50.92
COC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(C)=C1	REAL300012077313	0	45	0.0	-51.09	371.08	9.22	-41.87
CC1CC2=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CC=C2O1	REAL300012077314	0	46	0.0	-54.99	381.14	9.84	-45.15
O=C([O-])C(CC(C[NH2+]CC1=CC=CC2=C1OCC2)C(F)(F)F)C(F)(F)F	REAL300012077315	0	43	0.0	-47.75	362.49	9.13	-38.62
CN1N=C2CCCC2=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077316	0	45	0.0	-56.84	370.98	8.73	-48.11
O=C([O-])C(CC(C[NH2+]CC1=CC=NN1C1CCC1)C(F)(F)F)C(F)(F)F	REAL300012077317	0	45	0.0	-56.28	373.41	9.08	-47.20
O=C([O-])C(CC(C[NH2+]CC1=CN(C2CCC2)N=C1)C(F)(F)F)C(F)(F)F	REAL300012077318	0	45	0.0	-51.23	373.58	9.05	-42.18
COC1=CC=C(C)C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077319	0	45	0.0	-51.02	368.58	9.18	-41.84
CN1C=NC2=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C21	REAL300012077320	0	44	0.0	-57.61	361.50	10.49	-47.12
CCC1=CC=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077321	0	44	0.0	-47.66	360.23	10.60	-37.06
CC1=CC(F)=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077322	0	41	0.0	-51.55	353.24	10.01	-41.54
CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(C)=C1C	REAL300012077323	0	47	0.0	-58.42	371.34	10.90	-47.52
CC(C)(C)C1=CC=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077324	0	50	0.0	-42.40	377.93	11.40	-31.00
O=C([O-])C(CC(C[NH2+]CC1=CON=C1C1CC1)C(F)(F)F)C(F)(F)F	REAL300012077325	0	41	0.0	-63.30	354.76	8.89	-54.41
CC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=NN1C(C)C	REAL300012077326	0	47	0.0	-53.50	387.20	9.03	-44.47
CC1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CC=C1C1CC1	REAL300012077327	0	48	0.0	-56.77	393.64	11.90	-44.87
CCOC1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CC=N1	REAL300012077328	0	44	0.0	-62.51	375.55	6.92	-55.59
CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1C1CC1	REAL300012077329	0	48	0.0	-48.62	392.46	11.89	-36.73
COC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)O1	REAL300012077330	0	39	0.0	-51.92	340.51	7.89	-44.03
O=C([O-])C(CC(C[NH2+]CC1=NN(CCF)C=C1)C(F)(F)F)C(F)(F)F	REAL300012077331	0	41	0.0	-52.53	355.26	7.98	-44.55
CCN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(C)=N1	REAL300012077332	0	44	0.0	-53.80	367.10	8.49	-45.31
CN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(C2CC2)=N1	REAL300012077333	0	45	0.0	-60.36	379.26	9.21	-51.15
CN1N=C(C2CC2)C=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077334	0	45	0.0	-57.69	376.58	8.91	-48.78
CC(C)C1=NOC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077335	0	43	0.0	-55.91	364.97	8.59	-47.32
COC1=NC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1F	REAL300012077336	0	41	0.0	-55.75	355.79	6.00	-49.75
O=C([O-])C(CC(C[NH2+]CC1=CN2C=CN=C2S1)C(F)(F)F)C(F)(F)F	REAL300012077337	0	38	0.0	-72.98	341.37	9.20	-63.78
CC1=C(C)SC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077338	0	40	0.0	-55.63	352.08	7.74	-47.89
O=C([O-])C(CC(C[NH2+]CC1=CSN=C1)C(F)(F)F)C(F)(F)F	REAL300012077339	0	34	0.0	-54.82	311.25	6.94	-47.88
CC(C)CC1=CC=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077340	0	50	0.0	-46.46	395.29	11.65	-34.81
CC(C)CN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)N=N1	REAL300012077341	1	46	0.0	-61.98	383.90	8.08	-53.90
O=C([O-])C(CC(C[NH2+]CC1=NC(C2CC2)=CS1)C(F)(F)F)C(F)(F)F	REAL300012077342	0	41	0.0	-49.77	361.06	8.48	-41.29
O=C([O-])C(CC(C[NH2+]CC1=CC=C2CCOC2=C1)C(F)(F)F)C(F)(F)F	REAL300012077343	0	43	0.0	-52.85	358.96	9.08	-43.77
CN1C=C(Cl)C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077344	1	38	0.0	-54.01	343.83	7.43	-46.58
CSC1=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077345	0	42	0.0	-57.89	364.60	10.23	-47.66
CC(C)C1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)N(C)N=C1	REAL300012077346	0	47	0.0	-53.30	387.56	8.75	-44.55
CC1=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CC(C)=N1	REAL300012077347	0	43	0.0	-53.80	363.52	8.72	-45.08
CCCN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(C)=N1	REAL300012077348	0	47	0.0	-53.61	388.60	9.25	-44.36
CCN1C=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077349	0	41	0.0	-50.94	348.66	7.84	-43.10
O=C([O-])C(CC(C[NH2+]CC1=CC2=NC=CC=C2O1)C(F)(F)F)C(F)(F)F	REAL300012077350	0	40	0.0	-67.90	346.62	7.96	-59.94
CC1=C(C)OC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077351	1	40	0.0	-52.28	341.67	5.40	-46.88
O=C([O-])C(CC(C[NH2+]CC1=CC=C(OC2CC2)C=C1)C(F)(F)F)C(F)(F)F	REAL300012077352	0	46	0.0	-63.62	381.32	10.13	-53.49
O=C([O-])C(CC(C[NH2+]CC1=CC(C2CCC2)=NN1)C(F)(F)F)C(F)(F)F	REAL300012077353	0	45	0.0	-67.35	371.10	8.15	-59.20
CCCN1C=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077354	0	44	0.0	-50.36	369.01	8.58	-41.78
CC(C)N1C=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077355	0	44	0.0	-50.06	366.17	8.33	-41.73
O=C([O-])C(CC(C[NH2+]CC1=CC=CC2=C1COCC2)C(F)(F)F)C(F)(F)F	REAL300012077356	0	46	0.0	-50.65	372.15	9.26	-41.39
COC1=NN(C)C=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077357	0	42	0.0	-52.48	358.82	4.98	-47.50
O=C([O-])C(CC(C[NH2+]CC1=CC2=C(CCCC2)O1)C(F)(F)F)C(F)(F)F	REAL300012077358	0	45	0.0	-51.31	368.53	10.09	-41.22
CC1=COC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077359	1	37	0.0	-58.39	321.79	4.58	-53.81
COC1=CC(C)=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=N1	REAL300012077360	0	44	0.0	-56.32	367.30	6.51	-49.81
COC1=NC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=CC=C1C	REAL300012077361	0	44	0.0	-50.13	374.05	6.70	-43.43
CCCN1C=NC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077362	0	44	0.0	-52.99	361.38	10.13	-42.86
O=C([O-])C(CC(C[NH2+]CC1=CC=CNC1=O)C(F)(F)F)C(F)(F)F	REAL300012077363	0	38	0.0	-49.35	330.36	6.22	-43.13
CCC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=NN1CC	REAL300012077364	0	47	0.0	-52.15	380.58	9.01	-43.14
O=C([O-])C(CC(C[NH2+]CC1=CC(C2CC2)=NN1)C(F)(F)F)C(F)(F)F	REAL300012077365	0	42	0.0	-56.87	354.72	7.71	-49.16
COC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=CS1	REAL300012077366	0	39	0.0	-46.47	348.28	7.73	-38.74
O=C([O-])C(CC(C[NH2+]CC1=CC(F)=CC(F)=C1F)C(F)(F)F)C(F)(F)F	REAL300012077367	0	38	0.0	-52.74	343.95	9.48	-43.26
CC(C)(C)C1=NNC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077368	0	47	0.0	-56.42	385.09	8.08	-48.34
C=CCC1=CC=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077369	0	45	0.0	-47.93	372.56	11.14	-36.79
O=C([O-])C(CC(C[NH2+]CC=CC1=CC=CC=C1)C(F)(F)F)C(F)(F)F	REAL300012077370	0	42	0.0	-61.48	352.54	10.48	-51.00
O=C([O-])C(CC(C[NH2+]CC1=CN=NN1C1CC1)C(F)(F)F)C(F)(F)F	REAL300012077371	0	41	0.0	-67.61	350.89	7.23	-60.38
COCC1=CC=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077372	0	45	0.0	-50.60	373.18	9.16	-41.44
O=C([O-])C(CC(C[NH2+]CC1=CC=C2CCOCC2=C1)C(F)(F)F)C(F)(F)F	REAL300012077373	0	46	0.0	-51.21	379.13	9.35	-41.86
O=C([O-])C(CC(C[NH2+]CC1=CN(CCO)N=C1)C(F)(F)F)C(F)(F)F	REAL300012077374	0	42	0.0	-54.15	362.52	4.63	-49.52
O=C([O-])C(CC(C[NH2+]CC=CC1=CC=NC=C1)C(F)(F)F)C(F)(F)F	REAL300012077375	0	41	0.0	-66.40	346.61	8.68	-57.72
C=CC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077376	0	42	0.0	-61.06	351.67	10.24	-50.82
CC(C)(C)C1=NOC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077377	0	46	0.0	-55.98	374.03	9.06	-46.92
O=C([O-])C(CC(C[NH2+]CC1=CC2=CN=CC=C2C=C1)C(F)(F)F)C(F)(F)F	REAL300012077378	0	43	0.0	-64.12	365.38	9.70	-54.42
CC1=CC2=CC=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C2O1	REAL300012077379	0	44	0.0	-49.53	374.66	10.41	-39.12
O=C([O-])C(CC(C[NH2+]CC1=CON=C1C1CCC1)C(F)(F)F)C(F)(F)F	REAL300012077380	0	44	0.0	-56.94	367.81	9.32	-47.62
CCN1C=C(Cl)C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077381	1	41	0.0	-53.71	365.36	8.29	-45.42
O=C([O-])C(CC(C[NH2+]CC1=CC=CC(C(F)F)=C1)C(F)(F)F)C(F)(F)F	REAL300012077382	0	41	0.0	-58.87	360.78	10.21	-48.66
O=C([O-])C(CC(C[NH2+]CC1=CSC(Cl)=C1)C(F)(F)F)C(F)(F)F	REAL300012077383	0	35	0.0	-59.50	331.41	8.78	-50.72
O=C([O-])C(CC(C[NH2+]CC1=CC=NN1CC(F)F)C(F)(F)F)C(F)(F)F	REAL300012077384	0	41	0.0	-62.29	358.85	7.98	-54.31
O=C([O-])C(CC(C[NH2+]CC1=C(F)C=CN=C1Cl)C(F)(F)F)C(F)(F)F	REAL300012077385	0	37	0.0	-47.09	341.27	7.91	-39.18
O=C([O-])C(CC(C[NH2+]CC1=NN(C2CCC2)C=C1)C(F)(F)F)C(F)(F)F	REAL300012077386	0	45	0.0	-58.42	367.89	8.75	-49.67
O=C([O-])C(CC(C[NH2+]CC1=NN(CC(F)F)C=C1)C(F)(F)F)C(F)(F)F	REAL300012077387	0	41	0.0	-54.54	360.50	8.16	-46.38
CC1=CN(C)C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=N1	REAL300012077388	0	41	0.0	-53.23	345.83	8.23	-45.00
CC1=NSC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077389	0	37	0.0	-56.03	325.13	7.47	-48.56
O=C([O-])C(CC(C[NH2+]CC1=CC=CC=C1C(F)F)C(F)(F)F)C(F)(F)F	REAL300012077390	0	41	0.0	-49.67	348.40	10.21	-39.46
O=C([O-])C(CC(C[NH2+]CC1=CC2=CNN=C2C=C1)C(F)(F)F)C(F)(F)F	REAL300012077391	0	41	0.0	-59.30	350.52	7.98	-51.32
CC1=C(F)C=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077392	0	41	0.0	-64.08	344.10	9.89	-54.19
COC1=C(C#N)C=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077393	0	43	0.0	-69.30	371.54	8.99	-60.31
CC1=NC(Cl)=CC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077394	0	40	0.0	-57.70	349.91	8.46	-49.24
COC1=CC(C)=NC=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077395	0	44	0.0	-50.37	369.50	7.46	-42.91
CC(C)N1C=NC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077396	0	44	0.0	-50.12	367.75	9.83	-40.29
CC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(C2CC2)=NO1	REAL300012077397	0	44	0.0	-62.20	375.89	9.69	-52.51
CC(C)OC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)O1	REAL300012077398	0	45	0.0	-51.06	381.33	9.49	-41.57
N#CC1=CC(F)=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1	REAL300012077399	0	39	0.0	-61.17	354.02	9.76	-51.41
COC1=CC=CC=C1C=CC[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077400	0	46	0.0	-58.47	383.79	9.87	-48.60
COC1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(C)=N1	REAL300012077401	0	44	0.0	-55.65	365.22	6.53	-49.12
CC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=NS1	REAL300012077402	0	37	0.0	-55.40	325.85	7.67	-47.73
CC1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=NO1	REAL300012077403	0	37	0.0	-53.32	321.67	7.51	-45.81
O=C([O-])C(CC(C[NH2+]CC1=CC=C(CF)C=C1)C(F)(F)F)C(F)(F)F	REAL300012077404	0	41	0.0	-62.90	348.53	9.97	-52.93
O=C([O-])C(CC(C[NH2+]CC1=CC=C2SC=CC2=C1)C(F)(F)F)C(F)(F)F	REAL300012077405	0	41	0.0	-54.92	360.03	10.62	-44.30
O=C([O-])C(CC(C[NH2+]CC1=CC=CC=C1CO)C(F)(F)F)C(F)(F)F	REAL300012077406	0	42	0.0	-51.93	350.92	6.75	-45.18
CC1=NSC(C)=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077407	0	40	0.0	-53.23	347.97	8.10	-45.13
CC(C)(C)C1=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=NO1	REAL300012077408	0	46	0.0	-50.77	369.54	9.35	-41.42
C=CCN1C=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=N1	REAL300012077409	0	42	0.0	-53.90	363.89	8.53	-45.37
O=C([O-])C(CC(C[NH2+]CC1=CC2=NNC=C2C=C1)C(F)(F)F)C(F)(F)F	REAL300012077410	0	41	0.0	-55.99	350.51	7.98	-48.01
CCC(C)C1=CC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)C=C1	REAL300012077411	0	50	0.0	-59.71	399.21	11.74	-47.97
O=C([O-])C(CC(C[NH2+]CC1=CC=CC2=C1CCCC2)C(F)(F)F)C(F)(F)F	REAL300012077412	0	48	0.0	-48.63	382.14	11.66	-36.97
CC1=NC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C(C)S1	REAL300012077413	0	40	0.0	-48.34	348.57	7.65	-40.69
CCCN1N=CC(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)=C1C	REAL300012077414	0	47	0.0	-53.31	387.79	9.10	-44.21
CCCN1N=C(C)C=C1C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F	REAL300012077415	0	47	0.0	-60.56	385.95	9.06	-51.50
CC(C)(C)C1=NC=C(C[NH2+]CC(CC(C(=O)[O-])C(F)(F)F)C(F)(F)F)O1	REAL300012077416	0	46	0.0	-54.30	383.45	6.76	-47.54
CC1=CC=C(N2C=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C(C(C)(C)C)=N2)C=C1	REAL300012077417	0	61	0.0	-73.02	438.32	12.75	-60.27
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OCC1=CC=CC=C1	REAL300012077418	0	57	0.0	-77.01	432.38	11.79	-65.22
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077419	0	49	0.0	-74.31	391.81	10.66	-63.65
O=C([O-])C1CCCC([NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CC=C2)CC1	REAL300012077420	0	56	0.0	-73.03	425.11	13.09	-59.94
CC(C)(C)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077421	0	51	0.0	-68.74	365.88	10.88	-57.86
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CC=CC=C2)CC1	REAL300012077422	0	46	0.0	-71.43	346.17	8.38	-63.05
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Br)O2)CC1	REAL300012077423	0	36	0.0	-71.04	291.92	7.43	-63.61
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=C2)C=C1	REAL300012077424	0	57	0.0	-81.95	432.75	9.89	-72.06
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077425	0	49	0.0	-75.81	368.26	10.34	-65.47
N#CCCN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2=CC=CC=C2)=N1	REAL300012077426	0	53	0.0	-77.71	411.53	11.05	-66.66
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OC(F)F	REAL300012077427	0	47	0.0	-76.37	360.37	8.09	-68.28
O=C([O-])C1CCCC([NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CN=C2)CC1	REAL300012077428	0	55	0.0	-77.16	420.21	11.34	-65.82
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=C(Br)C=C3)O2)CC1	REAL300012077429	0	46	0.0	-71.79	371.01	11.09	-60.70
CCCOC1=CC=C(Br)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077430	0	49	0.0	-66.74	382.62	10.24	-56.50
CCOC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OC	REAL300012077431	0	50	0.0	-75.24	372.47	8.73	-66.51
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)CC1	REAL300012077432	0	53	0.0	-66.38	399.37	11.90	-54.48
CCCCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077433	0	55	0.0	-71.35	405.53	11.15	-60.20
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)CC1	REAL300012077434	0	48	0.0	-78.42	379.72	11.15	-67.27
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)CC1	REAL300012077435	0	48	0.0	-78.75	377.90	11.13	-67.62
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1Br	REAL300012077436	0	43	0.0	-75.26	341.79	8.58	-66.68
CC(C)OC1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077437	0	49	0.0	-64.20	357.79	9.45	-54.75
CCCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012077438	0	56	0.0	-75.03	415.47	10.32	-64.71
CCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012077439	0	53	0.0	-75.06	393.97	9.53	-65.53
C=CCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012077440	0	51	0.0	-75.53	385.37	9.32	-66.21
CCCCCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012077441	0	62	0.0	-76.63	457.88	11.85	-64.78
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)CC1	REAL300012077442	0	46	0.0	-71.72	366.45	10.97	-60.75
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)CC1	REAL300012077443	0	46	0.0	-70.37	366.56	11.01	-59.36
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC(Br)=C3)O2)CC1	REAL300012077444	0	46	0.0	-73.24	372.81	11.10	-62.14
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)CC1	REAL300012077445	0	46	0.0	-72.31	374.40	11.84	-60.47
O=C([O-])C1CCCC([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)CC1	REAL300012077446	0	49	0.0	-74.82	373.70	10.21	-64.61
CCC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300012077447	0	48	0.0	-70.24	354.90	10.49	-59.75
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)CC1	REAL300012077448	0	48	0.0	-75.52	373.83	11.74	-63.78
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012077449	0	58	0.0	-77.46	432.13	9.64	-67.82
O=C([O-])C1CCCC([NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)CC1	REAL300012077450	0	45	0.0	-69.69	360.73	9.42	-60.27
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OC(F)(F)F)CC1	REAL300012077451	0	43	0.0	-69.12	334.10	8.41	-60.71
O=C([O-])C1CCCC([NH2+]CC2=CC=C(SC(F)(F)F)C=C2)CC1	REAL300012077452	0	43	0.0	-74.23	348.36	10.10	-64.13
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C([N+](=O)[O-])C=C1O	REAL300012077453	0	46	0.0	-76.12	349.47	6.25	-69.87
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(Cl)=C1	REAL300012077454	0	43	0.0	-67.99	331.19	8.31	-59.68
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300012077455	0	43	0.0	-74.28	337.95	8.42	-65.86
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S2)CC1	REAL300012077456	0	48	0.0	-79.28	385.86	11.99	-67.29
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)CC1	REAL300012077457	0	48	0.0	-76.63	386.43	12.04	-64.59
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)CC1	REAL300012077458	0	46	0.0	-73.24	352.41	8.46	-64.78
CC1=CC=C(C2=NNC=C2C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077459	0	49	0.0	-70.00	367.41	9.07	-60.93
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CC=CS2)CC1	REAL300012077460	0	43	0.0	-68.90	331.14	7.57	-61.33
COC1=CC=C(C2=NNC=C2C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077461	0	50	0.0	-72.18	375.46	7.70	-64.48
O=C([O-])C1CCCC([NH2+]CC2=CSC3=CC=CC=C23)CC1	REAL300012077462	0	42	0.0	-71.18	326.36	9.93	-61.25
CCOC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C)=NN1CC(C)C	REAL300012077463	0	58	0.0	-70.12	428.88	9.18	-60.94
O=C([O-])C1CCCC([NH2+]CC2=CC3=CC=CC=C3OC2)CC1	REAL300012077464	0	45	0.0	-72.79	338.03	9.12	-63.67
CC1=CC=C(C2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)O2)C=C1	REAL300012077465	0	49	0.0	-70.32	371.12	11.14	-59.18
CC1=CC=C(C2=NNC=C2C[NH2+]C2CCCC(C(=O)[O-])CC2)O1	REAL300012077466	0	46	0.0	-69.51	350.89	7.65	-61.86
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CC=CN=C2)CC1	REAL300012077467	0	45	0.0	-75.69	340.85	6.66	-69.03
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)CC1	REAL300012077468	0	52	0.0	-76.57	390.54	7.55	-69.02
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OCC3CCCO3)C=C2)CC1	REAL300012077469	0	54	0.0	-73.59	400.28	9.24	-64.35
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)CC1	REAL300012077470	0	46	0.0	-72.91	364.09	11.38	-61.53
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)CC1	REAL300012077471	0	52	0.0	-69.05	391.87	10.16	-58.89
COC1=NC2=CC=CC=C2C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077472	0	48	0.0	-72.64	360.70	7.55	-65.09
O=C([O-])C1CCCC([NH2+]CC2=CC=C(N3C=CC=N3)C=C2)CC1	REAL300012077473	0	46	0.0	-77.43	350.31	9.84	-67.59
O=C([O-])C1CCCC([NH2+]CC2=CC=C(N3C=NC=N3)C=C2)CC1	REAL300012077474	0	45	0.0	-80.28	345.25	11.16	-69.12
CC(C)N1N=CC2=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=C(Cl)N=C21	REAL300012077475	0	50	0.0	-76.38	388.66	9.65	-66.73
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)CC1	REAL300012077476	0	46	0.0	-70.73	374.59	11.84	-58.89
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OCC1=CC=NC=C1	REAL300012077477	0	56	0.0	-80.75	426.67	9.98	-70.77
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)CC1	REAL300012077478	0	46	0.0	-71.45	367.03	11.49	-59.96
O=C([O-])C1CCCC([NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300012077479	0	42	0.0	-69.32	340.45	10.00	-59.32
O=C([O-])C1CCCC([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)CC1	REAL300012077480	0	42	0.0	-82.78	335.61	9.64	-73.14
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=CC=C2Cl)CC1	REAL300012077481	0	39	0.0	-67.25	318.44	9.52	-57.73
O=C([O-])C1CCCC([NH2+]CC2=CC=C(F)C=C2C(F)(F)F)CC1	REAL300012077482	0	42	0.0	-76.16	324.84	9.66	-66.50
O=C([O-])C1CCCC([NH2+]CC2=CC(F)=C(F)C(F)=C2)CC1	REAL300012077483	0	39	0.0	-83.02	308.42	8.74	-74.28
O=C([O-])C1CCCC([NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300012077484	0	42	0.0	-79.33	336.43	9.64	-69.69
O=C([O-])C1CCCC([NH2+]CC2=CC(C(F)(F)F)=CC=C2F)CC1	REAL300012077485	0	42	0.0	-71.27	333.13	9.57	-61.70
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(Cl)=C1OC	REAL300012077486	0	47	0.0	-71.22	364.48	8.31	-62.91
O=C([O-])C1CCCC([NH2+]CC2=CC3=CC=CC=C3S2)CC1	REAL300012077487	0	42	0.0	-69.85	326.84	10.09	-59.76
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077488	0	55	0.0	-72.95	426.39	11.86	-61.09
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=CC=C2OC(F)F)CC1	REAL300012077489	0	43	0.0	-71.73	344.40	8.69	-63.04
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)CC1	REAL300012077490	0	46	0.0	-72.27	374.41	11.83	-60.44
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=C2)=C1	REAL300012077491	0	54	0.0	-75.68	423.42	12.25	-63.43
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)CC1	REAL300012077492	0	49	0.0	-78.62	372.02	7.07	-71.55
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OCC(F)(F)F	REAL300012077493	0	50	0.0	-79.25	392.04	9.20	-70.05
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)CC1	REAL300012077494	0	52	0.0	-75.40	395.83	10.07	-65.33
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=C3OCCOC3=C2)CC1	REAL300012077495	0	45	0.0	-76.99	356.13	8.41	-68.58
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=C3OCCCOC3=C2)CC1	REAL300012077496	0	48	0.0	-79.19	374.58	9.18	-70.01
O=C([O-])C1CCCC([NH2+]CC2=CC=C(N3C=CC(C(F)(F)F)=N3)C=C2)CC1	REAL300012077497	0	49	0.0	-80.16	391.48	10.79	-69.37
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077498	0	48	0.0	-68.81	369.78	8.49	-60.32
COCCOC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077499	0	50	0.0	-72.01	376.27	8.08	-63.93
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1Cl	REAL300012077500	0	43	0.0	-75.41	337.40	8.47	-66.94
O=C([O-])C1CCCC([NH2+]CC2=CSC(C3=CC=CC=N3)=N2)CC1	REAL300012077501	0	44	0.0	-69.93	349.74	7.49	-62.44
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077502	0	51	0.0	-76.67	372.66	10.15	-66.52
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=N1	REAL300012077503	0	55	0.0	-79.87	407.93	8.46	-71.41
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)CC1	REAL300012077504	0	46	0.0	-72.27	362.80	9.31	-62.96
O=C([O-])C1CCCC([NH2+]CC2=CC=CC3=C2OCCO3)CC1	REAL300012077505	0	45	0.0	-68.55	332.76	7.75	-60.80
O=C([O-])C1CCCC([NH2+]CC2=CC=CC3=C2OCCCO3)CC1	REAL300012077506	0	48	0.0	-70.91	349.63	8.55	-62.36
CCCN1C2=CC=CC=C2N=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077507	0	51	0.0	-75.21	377.05	10.66	-64.55
CCCOC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077508	0	49	0.0	-70.87	364.14	9.61	-61.26
O=C([O-])C1CCCC([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)CC1	REAL300012077509	0	46	0.0	-70.29	355.51	11.13	-59.16
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OC3CCCC3)=C2)CC1	REAL300012077510	0	53	0.0	-72.10	386.06	10.80	-61.30
CC(C)OC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077511	0	49	0.0	-73.44	360.81	9.46	-63.98
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012077512	0	52	0.0	-69.68	398.70	10.55	-59.13
CC1=CC=C(C2=NC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CS2)C=C1	REAL300012077513	0	48	0.0	-67.78	375.72	10.03	-57.75
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)CC1	REAL300012077514	0	53	0.0	-73.96	406.27	12.03	-61.93
O=C([O-])C1CCCC([NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)CC1	REAL300012077515	0	49	0.0	-69.04	385.91	8.86	-60.18
O=C([O-])C1CCCC([NH2+]CC2=CSC(C3=CC=C(C(F)(F)F)C=C3)=N2)CC1	REAL300012077516	0	48	0.0	-70.61	393.01	10.36	-60.25
O=C([O-])C1CCCC([NH2+]CC2=CSC(COC3=CC=C(Cl)C=C3)=N2)CC1	REAL300012077517	0	49	0.0	-69.76	402.64	9.38	-60.38
CC1=CC=C(OCC2=NC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CS2)C=C1	REAL300012077518	0	52	0.0	-68.99	407.31	9.54	-59.45
COC1=CC=C(OCC2=NC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CS2)C=C1	REAL300012077519	0	53	0.0	-70.55	415.40	8.15	-62.40
CC(C)(C)C1=NC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CS1	REAL300012077520	0	47	0.0	-65.67	356.18	8.10	-57.57
O=C([O-])C1CCCC([NH2+]CC2=CSC(C3=CSC=C3)=N2)CC1	REAL300012077521	0	42	0.0	-67.76	345.36	8.29	-59.47
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)CC1	REAL300012077522	0	46	0.0	-73.15	364.09	11.38	-61.77
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077523	0	53	0.0	-71.32	395.89	9.42	-61.90
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OC2CCCC2)CC1	REAL300012077524	0	53	0.0	-64.62	382.56	10.80	-53.82
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077525	0	56	0.0	-70.17	421.29	9.43	-60.74
CC1=CC=C(C2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)S2)C=C1	REAL300012077526	0	49	0.0	-70.91	379.08	11.99	-58.92
COC1=CC(OC2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C2)=CC(OC)=C1	REAL300012077527	0	58	0.0	-76.95	440.13	10.11	-66.84
O=C([O-])C1CCCC([NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)CC1	REAL300012077528	0	45	0.0	-79.90	355.88	8.84	-71.06
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077529	0	43	0.0	-70.68	351.79	8.98	-61.70
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=CC=C2Cl)CC1	REAL300012077530	0	39	0.0	-67.21	323.01	9.62	-57.59
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=CC=C2Br)CC1	REAL300012077531	0	39	0.0	-66.44	322.02	9.63	-56.81
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)CC1	REAL300012077532	0	50	0.0	-75.21	391.50	11.54	-63.67
CCOC1=C(OC)C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012077533	0	54	0.0	-78.68	403.44	8.62	-70.06
COCCCOC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077534	0	53	0.0	-72.55	397.82	8.68	-63.87
COC1=CC=C(OC(F)F)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077535	0	47	0.0	-70.65	357.20	7.45	-63.20
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(Br)=C2OC(F)F)CC1	REAL300012077536	0	43	0.0	-70.76	345.24	8.79	-61.97
O=C([O-])C1CCCC([NH2+]CC2=C(Cl)C=CC=C2OC(F)F)CC1	REAL300012077537	0	43	0.0	-65.26	341.39	8.60	-56.66
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OCCCC3=CC=CC=C3)=C2)CC1	REAL300012077538	0	59	0.0	-70.83	446.13	13.45	-57.38
CC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OC1=CC=CN=C1	REAL300012077539	0	52	0.0	-76.45	396.41	10.42	-66.03
O=C(COC1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1)NCC1CC1	REAL300012077540	0	57	0.0	-71.03	431.15	9.83	-61.20
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)S2)C=C1	REAL300012077541	0	48	0.0	-72.73	376.26	10.24	-62.49
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)CC1	REAL300012077542	0	44	0.0	-66.13	346.35	9.56	-56.57
O=C([O-])C1CCCC([NH2+]CC2=CC=C(F)C3=CC=CN=C23)CC1	REAL300012077543	0	44	0.0	-69.07	335.31	9.10	-59.97
O=C([O-])C1CCCC([NH2+]CC2=CC(F)=CC3=CC=CN=C32)CC1	REAL300012077544	0	44	0.0	-67.17	336.05	9.13	-58.04
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)CC1	REAL300012077545	0	44	0.0	-68.42	344.16	9.48	-58.94
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)CC1	REAL300012077546	0	46	0.0	-71.47	364.21	10.62	-60.85
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)O1	REAL300012077547	0	49	0.0	-72.09	376.59	11.20	-60.89
CCC1=CC=C(C2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)O2)C=C1	REAL300012077548	0	52	0.0	-71.61	394.40	11.91	-59.70
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(OC(F)F)=C1	REAL300012077549	0	47	0.0	-73.41	357.25	7.46	-65.95
COC1=CC=C2OC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CC2=C1	REAL300012077550	0	46	0.0	-75.16	348.63	8.39	-66.77
O=C([O-])C1CCCC([NH2+]CC=CC2=CC=C(Cl)C=C2)CC1	REAL300012077551	0	43	0.0	-74.08	339.64	10.44	-63.64
CC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300012077552	0	45	0.0	-71.55	337.10	9.67	-61.88
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)CC1	REAL300012077553	0	47	0.0	-74.98	357.82	10.28	-64.70
CC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1Br	REAL300012077554	0	42	0.0	-70.95	331.36	9.80	-61.15
O=C([O-])C1CCCC([NH2+]CC=CC2=CC=C(F)C=C2F)CC1	REAL300012077555	0	43	0.0	-76.73	334.93	10.03	-66.70
CC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1Br	REAL300012077556	0	42	0.0	-72.91	331.36	9.80	-63.11
O=C([O-])C1CCCC([NH2+]CC2=NN(C3=CC=CC=C3)C=C2)CC1	REAL300012077557	0	46	0.0	-70.49	350.16	9.70	-60.79
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=CC3=C2OCC3)CC1	REAL300012077558	0	44	0.0	-67.60	342.33	8.89	-58.71
O=C([O-])C1CCCC([NH2+]CC2=CC3=C(F)C=CC=C3N2)CC1	REAL300012077559	0	43	0.0	-76.97	328.23	8.55	-68.42
O=C([O-])C1CCCC([NH2+]CC2=CC3=CC=C(F)C=C3N2)CC1	REAL300012077560	0	43	0.0	-77.77	328.13	8.55	-69.22
CC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC2=CC=CN=C12	REAL300012077561	0	47	0.0	-76.34	350.67	9.74	-66.60
O=C([O-])C1CCCC([NH2+]CC2=CN=C3C=CSC3=C2)CC1	REAL300012077562	0	41	0.0	-78.09	323.16	8.07	-70.02
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)O2)C=C1	REAL300012077563	0	58	0.0	-69.97	425.83	12.78	-57.19
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077564	0	59	0.0	-63.40	415.29	11.73	-51.67
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077565	0	59	0.0	-67.68	432.22	11.67	-56.01
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C2C)=C1	REAL300012077566	0	62	0.0	-75.45	467.89	14.15	-61.30
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1C	REAL300012077567	0	62	0.0	-72.88	458.89	14.05	-58.83
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077568	0	57	0.0	-72.58	426.77	13.38	-59.20
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077569	0	55	0.0	-75.87	426.66	11.57	-64.30
CCN(CC)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1F	REAL300012077570	0	53	0.0	-75.02	392.34	9.79	-65.23
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C(SC)C=C1OC	REAL300012077571	0	51	0.0	-69.20	384.18	8.68	-60.52
COC1=CC=C2N=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)SC2=C1	REAL300012077572	0	45	0.0	-71.50	351.13	7.37	-64.13
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077573	0	45	0.0	-78.82	355.26	9.45	-69.37
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1C#N	REAL300012077574	0	44	0.0	-83.78	341.58	8.33	-75.45
O=C([O-])C1CCCC([NH2+]CC2=CC=C(SC(F)F)C=C2)CC1	REAL300012077575	0	43	0.0	-73.58	339.50	9.83	-63.75
CC1=CC(Cl)=CC(C)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077576	0	45	0.0	-70.90	339.43	10.13	-60.77
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC(F)F)C(F)=C2)CC1	REAL300012077577	0	43	0.0	-77.80	337.35	8.26	-69.54
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077578	0	45	0.0	-74.95	343.39	10.15	-64.80
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC(Cl)=C1OC	REAL300012077579	0	47	0.0	-78.78	370.00	8.41	-70.37
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=CC=C2OC(F)F)CC1	REAL300012077580	0	43	0.0	-71.74	348.97	8.80	-62.94
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077581	0	55	0.0	-71.48	432.34	11.77	-59.71
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OCC(C)C	REAL300012077582	0	56	0.0	-76.35	413.49	10.17	-66.18
CCCOC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OC	REAL300012077583	0	53	0.0	-74.98	393.97	9.53	-65.45
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Br)S2)CC1	REAL300012077584	0	36	0.0	-72.29	301.74	8.37	-63.92
CCOC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC(Cl)=C1OC	REAL300012077585	0	50	0.0	-78.68	391.85	9.33	-69.35
C=CCOC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077586	0	47	0.0	-69.67	356.13	9.44	-60.23
COC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1OC(C)C	REAL300012077587	0	53	0.0	-67.84	381.63	9.80	-58.04
CCOC1=C(Cl)C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012077588	0	50	0.0	-78.53	391.85	9.37	-69.16
CCCOC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=CC=C1OCC	REAL300012077589	0	56	0.0	-67.74	414.08	10.58	-57.16
CCCCOC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OC	REAL300012077590	0	56	0.0	-75.06	415.47	10.32	-64.74
CCCOC1=C(Cl)C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OCC	REAL300012077591	0	56	0.0	-78.40	435.20	11.09	-67.31
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077592	0	55	0.0	-72.18	426.19	12.18	-60.00
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC(F)F	REAL300012077593	0	47	0.0	-74.22	360.37	8.10	-66.12
CCOC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OC(F)F	REAL300012077594	0	50	0.0	-76.16	382.23	9.02	-67.14
CC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC(C)=C1OC(F)F	REAL300012077595	0	49	0.0	-76.19	369.65	9.63	-66.56
CCOC1=CC2=C(C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1)OC(C)C2	REAL300012077596	0	54	0.0	-66.31	396.35	9.43	-56.88
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC2=C1OCCO2	REAL300012077597	0	49	0.0	-76.73	365.70	7.65	-69.08
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)CC1	REAL300012077598	0	48	0.0	-76.73	385.75	10.01	-66.72
CCCCN1N=C(C)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1Cl	REAL300012077599	0	51	0.0	-70.69	395.12	9.66	-61.03
CCOC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1OC(F)F	REAL300012077600	0	50	0.0	-69.79	377.89	9.17	-60.62
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OCC(=O)N2CCCC2)CC1	REAL300012077601	0	57	0.0	-68.83	424.11	10.70	-58.13
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3)S2)CC1	REAL300012077602	0	46	0.0	-71.00	357.69	11.32	-59.68
CCCOC1=C(Cl)C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012077603	0	53	0.0	-78.44	413.35	10.17	-68.27
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077604	0	61	0.0	-70.89	439.53	12.61	-58.28
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)CC1	REAL300012077605	0	46	0.0	-74.28	364.43	10.64	-63.64
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077606	0	62	0.0	-72.77	458.55	11.00	-61.77
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2CCCCC2)=N1	REAL300012077607	0	55	0.0	-73.11	396.28	10.09	-63.02
CC(CCC1=CC=CC=C1)C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077608	0	51	0.0	-72.38	370.50	11.46	-60.92
CC1(C)CCC2=C(C1)SC(C[NH2+]C1CCCC(C(=O)[O-])CC1)=N2	REAL300012077609	0	51	0.0	-69.68	375.50	9.24	-60.44
CCC1=CC=CC(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077610	0	45	0.0	-64.51	339.07	10.20	-54.31
CC1=C(C)C=C2OC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CC2=C1	REAL300012077611	0	48	0.0	-72.67	358.16	10.34	-62.33
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)CC1	REAL300012077612	0	46	0.0	-72.43	362.73	8.91	-63.52
O=C([O-])C1CCCC([NH2+]CC2=CC=C(N3C=CN=C3)C=C2)CC1	REAL300012077613	0	46	0.0	-79.17	345.64	10.94	-68.23
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)CC1	REAL300012077614	0	46	0.0	-72.64	359.94	10.59	-62.05
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=C3OCCOC3=C2)CC1	REAL300012077615	0	45	0.0	-77.26	351.76	8.29	-68.97
CCCCC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300012077616	0	54	0.0	-70.39	397.90	12.04	-58.35
O=C([O-])C1CCCC([NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)CC1	REAL300012077617	0	52	0.0	-81.15	398.83	13.30	-67.85
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OCC1=CC=CS1	REAL300012077618	0	54	0.0	-76.62	422.61	10.86	-65.76
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077619	0	52	0.0	-77.58	395.23	10.76	-66.82
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)CC1	REAL300012077620	0	48	0.0	-79.50	370.19	9.06	-70.44
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OCC3=CC=CC=C3Cl)=C2)CC1	REAL300012077621	0	53	0.0	-73.45	415.71	12.45	-61.00
O=C([O-])C1CCCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1	REAL300012077622	0	48	0.0	-74.73	348.28	9.81	-64.92
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)CC1	REAL300012077623	0	46	0.0	-81.73	369.02	9.38	-72.35
O=C([O-])C1CCCC([NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)CC1	REAL300012077624	0	45	0.0	-77.41	367.70	9.17	-68.24
O=C([O-])C1CCCC([NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)CC1	REAL300012077625	0	45	0.0	-76.20	366.77	8.98	-67.22
CCSC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077626	0	46	0.0	-69.52	353.55	10.47	-59.05
O=C([O-])C1CCCC([NH2+]CC2=C(O)C=CC(Cl)=C2F)CC1	REAL300012077627	1	40	0.0	-71.71	320.58	6.29	-65.42
CCN1N=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C2=CC=CC=C21	REAL300012077628	0	48	0.0	-72.82	363.03	9.37	-63.45
COCCC1(C[NH2+]C2CCCC(C(=O)[O-])CC2)CCCCC1	REAL300012077629	0	55	0.0	-68.47	369.12	8.82	-59.65
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=C(Cl)S2)CC1	REAL300012077630	0	36	0.0	-73.45	317.17	8.85	-64.60
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300012077631	0	56	0.0	-89.59	426.83	13.53	-76.06
CCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077632	0	49	0.0	-71.54	362.53	9.59	-61.95
COC1=CC=C(C2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)O2)C([N+](=O)[O-])=C1	REAL300012077633	0	52	0.0	-78.08	405.07	11.05	-67.03
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)O2)CC1	REAL300012077634	0	46	0.0	-73.10	381.60	11.42	-61.68
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077635	0	52	0.0	-71.61	410.93	11.09	-60.52
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077636	0	49	0.0	-73.84	402.19	11.11	-62.73
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3)O2)CC1	REAL300012077637	0	46	0.0	-71.89	351.52	10.48	-61.41
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OC(C)C	REAL300012077638	0	53	0.0	-75.13	390.40	9.35	-65.78
CCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OCC	REAL300012077639	0	56	0.0	-74.95	415.82	10.46	-64.49
CC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300012077640	0	44	0.0	-82.73	338.75	9.92	-72.81
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077641	0	52	0.0	-71.10	414.96	11.11	-59.99
CC(C)OC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077642	0	49	0.0	-71.77	358.89	9.41	-62.36
CCCCCCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077643	0	61	0.0	-71.34	448.53	12.71	-58.63
CC(C[NH2+]C1CCCC(C(=O)[O-])CC1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012077644	0	60	0.0	-71.19	424.09	12.94	-58.25
O=C([O-])C1CCCC([NH2+]CC2=C(Br)C=CS2)CC1	REAL300012077645	0	36	0.0	-64.91	299.51	8.17	-56.74
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2N2CCOCC2)CC1	REAL300012077646	0	52	0.0	-69.21	374.92	8.19	-61.02
O=C([O-])C1CCCC([NH2+]CC2=CC(F)=CC=C2Br)CC1	REAL300012077647	0	39	0.0	-67.10	311.69	9.19	-57.91
CC(C)CC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077648	0	51	0.0	-68.69	370.87	11.24	-57.45
CC1=CC=C(C2=CC=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=C2)C=C1	REAL300012077649	0	52	0.0	-73.35	386.90	12.67	-60.68
COC1=CC=C(Br)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077650	0	43	0.0	-65.32	334.77	8.41	-56.91
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300012077651	0	45	0.0	-87.65	347.39	9.35	-78.30
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300012077652	0	39	0.0	-75.14	323.28	9.55	-65.59
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=CO2)CC1	REAL300012077653	0	36	0.0	-71.31	291.93	7.33	-63.98
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077654	0	52	0.0	-71.43	388.03	12.71	-58.72
O=C([O-])C1CCCC([NH2+]CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)CC1	REAL300012077655	0	45	0.0	-78.83	369.80	10.64	-68.19
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OC(F)F)=C2)CC1	REAL300012077656	0	43	0.0	-75.38	330.54	8.17	-67.21
CCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OCC	REAL300012077657	0	53	0.0	-75.24	394.32	9.65	-65.59
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)CC1	REAL300012077658	0	42	0.0	-81.78	343.18	10.00	-71.78
O=C([O-])C1CCCC([NH2+]CC2=CC=C(F)C=C2Br)CC1	REAL300012077659	0	39	0.0	-69.55	311.62	9.20	-60.35
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300012077660	0	43	0.0	-75.05	337.28	8.38	-66.67
COC1=CC=CC=C1C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077661	0	53	0.0	-72.22	400.16	11.69	-60.53
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)CC1	REAL300012077662	0	49	0.0	-72.47	388.76	11.47	-61.00
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300012077663	0	49	0.0	-72.84	358.52	10.00	-62.84
O=C([O-])C1CCCC([NH2+]CC2=NNC=C2C2=CC=CC=C2)CC1	REAL300012077664	0	46	0.0	-65.64	348.13	8.52	-57.12
O=C([O-])C1CCCC([NH2+]CC2=C(C3=CC=CC=C3)C=NN2)CC1	REAL300012077664	1	46	0.0	-70.52	347.91	8.47	-62.05
CN1C2=CC=CC=C2N=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077665	0	45	0.0	-77.69	337.69	8.93	-68.76
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(Br)=C1O	REAL300012077666	0	44	0.0	-70.03	345.46	6.25	-63.78
O=C([O-])C1CCCC([NH2+]CC2=CSC(Br)=C2)CC1	REAL300012077667	0	36	0.0	-72.05	303.62	8.31	-63.74
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OCC1=CC=CN=C1	REAL300012077668	0	56	0.0	-79.50	427.22	10.00	-69.50
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)S2)CC1	REAL300012077669	0	46	0.0	-73.92	389.56	12.28	-61.64
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=CC=C2OCC2=CC=CN=C2)CC1	REAL300012077670	0	52	0.0	-71.22	411.25	10.62	-60.60
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C(C2=CC=CC=C2)C=C1OC	REAL300012077671	0	57	0.0	-70.45	421.03	11.15	-59.30
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)CC1	REAL300012077672	0	49	0.0	-71.86	366.09	12.02	-59.84
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)CC1	REAL300012077673	0	52	0.0	-69.58	394.20	10.11	-59.47
O=C([O-])C1CCCC([NH2+]CC2=CC=C(N3CCCC3)N=C2)CC1	REAL300012077674	0	50	0.0	-74.71	363.76	8.45	-66.26
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Br)C(F)=C2)CC1	REAL300012077675	0	39	0.0	-77.92	318.88	9.28	-68.64
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)CC1	REAL300012077676	0	48	0.0	-70.62	363.63	10.52	-60.10
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)CC1	REAL300012077677	0	48	0.0	-76.05	360.51	10.23	-65.82
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)CC1	REAL300012077678	0	48	0.0	-77.20	360.70	10.24	-66.96
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077679	0	54	0.0	-73.10	384.69	9.10	-64.00
CN1CCN(C2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C2)CC1	REAL300012077680	1	56	0.0	-70.48	401.18	7.34	-63.14
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)CC1	REAL300012077681	0	48	0.0	-76.40	370.33	7.16	-69.24
CNC(=O)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077682	0	46	0.0	-80.63	346.15	6.84	-73.79
O=C([O-])C1CCCC([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)CC1	REAL300012077683	0	46	0.0	-78.43	355.09	9.82	-68.61
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077684	0	52	0.0	-77.01	405.54	11.21	-65.80
O=C([O-])C1CCCC([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)CC1	REAL300012077685	0	46	0.0	-77.68	365.41	10.27	-67.41
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077686	0	52	0.0	-79.80	401.70	10.92	-68.88
O=C([O-])C1CCCC([NH2+]CC2=C(Cl)N=C(SC3=CC=CC=C3)S2)CC1	REAL300012077687	0	46	0.0	-70.03	393.69	10.46	-59.57
CC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC(C)=C1OCC1=CC=CC=N1	REAL300012077688	0	58	0.0	-76.68	439.24	11.78	-64.90
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)CC1	REAL300012077689	0	46	0.0	-75.06	360.61	9.25	-65.81
CCOC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OCC1=CC=CC=C1	REAL300012077690	0	60	0.0	-76.55	454.23	12.71	-63.84
COC1=C2OC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CC2=CC=C1	REAL300012077691	0	46	0.0	-74.38	348.65	8.40	-65.98
CC(C)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300012077692	0	50	0.0	-84.74	373.66	10.71	-74.03
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=C3OCOC3=C2)CC1	REAL300012077693	0	42	0.0	-78.03	339.23	7.90	-70.13
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077694	0	55	0.0	-74.88	409.93	11.05	-63.83
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077695	0	55	0.0	-75.52	426.85	11.63	-63.89
CCOC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OCC(C)C	REAL300012077696	0	59	0.0	-74.65	435.93	11.14	-63.51
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=CC=C2F)CC1	REAL300012077697	0	39	0.0	-69.07	315.69	9.20	-59.87
COC1=CC(Br)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012077698	0	47	0.0	-69.96	363.95	8.33	-61.63
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Br)C=C2F)CC1	REAL300012077699	0	39	0.0	-71.64	315.60	9.22	-62.42
COC1=CC(OC)=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077700	0	47	0.0	-71.95	348.84	7.15	-64.80
COC1=CC2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C2C=C1	REAL300012077701	0	49	0.0	-76.74	366.75	10.13	-66.61
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=CS2)CC1	REAL300012077703	0	36	0.0	-70.98	301.53	8.27	-62.71
CCCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OCC	REAL300012077704	0	59	0.0	-74.96	437.32	11.24	-63.72
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077705	0	52	0.0	-76.37	388.51	10.68	-65.69
COC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1OC(F)F	REAL300012077706	0	47	0.0	-69.43	356.45	8.13	-61.30
O=C([O-])C1CCCC([NH2+]CC2=CC=C(CSC(F)F)O2)CC1	REAL300012077707	0	43	0.0	-71.74	349.97	9.13	-62.61
O=C([O-])C1CCCC([NH2+]CC2=CC3=CC=CC=C3N=C2N2CCCCC2)CC1	REAL300012077708	0	59	0.0	-72.23	427.37	11.83	-60.40
O=C([O-])C1CCCC([NH2+]CC2=CC3=CC=CC=C3NC2=O)CC1	REAL300012077709	0	45	0.0	-72.46	340.19	7.59	-64.87
O=C([O-])C1CCCC([NH2+]CC2=CC=C(F)C(Br)=C2)CC1	REAL300012077711	0	39	0.0	-77.72	318.88	9.27	-68.45
CC1=CC=C(COC2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C2)C=C1	REAL300012077712	0	56	0.0	-72.96	422.36	12.52	-60.44
O=C([O-])C1CCCC([NH2+]CC2=CC=C(N3CCCCC3)C=C2)CC1	REAL300012077713	0	54	0.0	-69.72	382.35	9.84	-59.88
CCCCCCOC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077714	0	58	0.0	-70.80	428.64	11.96	-58.84
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1SC	REAL300012077715	0	47	0.0	-75.38	360.78	8.96	-66.42
N#CCCCOC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077716	0	50	0.0	-77.99	385.00	10.13	-67.86
CCCCCOC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OC	REAL300012077717	0	59	0.0	-74.98	436.97	11.10	-63.88
CCC(C)OC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OC	REAL300012077718	0	56	0.0	-74.86	411.15	10.15	-64.71
CCCCCCCOC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077719	0	61	0.0	-70.81	450.14	12.74	-58.07
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OCCCC#N	REAL300012077720	0	54	0.0	-84.67	414.82	10.05	-74.62
C=C(C)COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OC	REAL300012077721	0	54	0.0	-75.78	404.79	10.09	-65.69
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OCCC(C)C	REAL300012077722	0	59	0.0	-75.02	433.03	10.84	-64.18
C=CCC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC(OC)=C1O	REAL300012077723	0	51	0.0	-76.60	386.16	7.74	-68.86
O=C([O-])C1CCCC([NH2+]CC2=CC(C3=CC=CC=C3)=NN2)CC1	REAL300012077724	0	46	0.0	-78.59	349.24	8.46	-70.13
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077725	0	48	0.0	-75.42	367.98	9.50	-65.92
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077726	0	49	0.0	-74.85	389.72	7.13	-67.72
CCOC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OCC(F)(F)F	REAL300012077727	0	53	0.0	-79.22	413.90	10.12	-69.10
O=C([O-])C1CCCC([NH2+]CC2=CN(C3=CC=CC=C3)N=N2)CC1	REAL300012077728	0	45	0.0	-74.59	344.18	8.41	-66.18
O=C([O-])C1CCCC([NH2+]CC2=NC(C3=CC=CC=C3)=CS2)CC1	REAL300012077729	0	45	0.0	-71.05	352.63	9.33	-61.72
O=C([O-])C1CCCC([NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)CC1	REAL300012077730	0	52	0.0	-76.69	385.92	7.75	-68.94
CN1C=NC2=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CC=C21	REAL300012077731	0	45	0.0	-75.83	338.24	9.87	-65.96
C=CCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1Cl	REAL300012077732	0	47	0.0	-75.60	372.16	9.98	-65.62
O=C([O-])C1CCCC([NH2+]CC2=CN=C(C3=CC=CC=C3)S2)CC1	REAL300012077733	0	45	0.0	-71.97	354.49	9.59	-62.38
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C2OC(C)CC2=C1	REAL300012077734	0	51	0.0	-67.60	376.04	8.40	-59.20
CC1(C)CC2=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CC=C2O1	REAL300012077735	0	50	0.0	-74.18	367.23	9.79	-64.39
O=C([O-])C1CCCC([NH2+]CC2=COC(C3=CC=CC=C3)=N2)CC1	REAL300012077736	0	45	0.0	-70.39	346.13	6.99	-63.40
O=C([O-])C1CCCC([NH2+]CC2=CSC(C3=CC=CS3)=N2)CC1	REAL300012077737	0	42	0.0	-67.99	345.95	8.39	-59.60
CC1=CC=CC(C2=NNC=C2C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077738	0	49	0.0	-71.59	367.75	9.06	-62.53
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)CC1	REAL300012077739	0	42	0.0	-78.45	346.75	10.07	-68.38
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=CC(C(F)(F)F)=C2)CC1	REAL300012077740	0	42	0.0	-78.40	351.32	10.17	-68.23
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Br)C=C2Cl)CC1	REAL300012077741	0	39	0.0	-69.63	322.94	9.63	-60.00
CC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(Br)=C1	REAL300012077742	0	42	0.0	-65.03	326.70	9.79	-55.24
CC(C)COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077743	0	52	0.0	-71.20	382.64	10.28	-60.92
COCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077744	0	50	0.0	-73.74	374.66	8.06	-65.68
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077745	0	54	0.0	-76.02	420.03	12.28	-63.74
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)CC1	REAL300012077746	0	43	0.0	-76.18	347.16	8.74	-67.44
O=C([O-])C1CCCC([NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)CC1	REAL300012077747	0	47	0.0	-75.99	382.52	10.02	-65.97
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1Cl	REAL300012077748	0	49	0.0	-68.18	385.64	10.07	-58.11
COC1=CC2=C(C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1)OCO2	REAL300012077749	0	46	0.0	-70.96	343.60	6.57	-64.39
CC(C)COC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077750	0	52	0.0	-69.14	384.83	10.34	-58.80
O=C([O-])C1CCCC([NH2+]CC2=CN=CC(Br)=C2)CC1	REAL300012077751	0	38	0.0	-76.59	307.45	7.41	-69.18
CN1N=NC2=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CC=C21	REAL300012077752	0	44	0.0	-82.51	333.84	6.99	-75.52
CC1(C)CC2=CC=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=C2O1	REAL300012077753	0	50	0.0	-65.59	366.68	9.76	-55.83
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=CC3=C2OCC3)CC1	REAL300012077754	0	44	0.0	-67.55	346.90	9.00	-58.55
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2=CC=CC=C2)=N1	REAL300012077755	0	49	0.0	-71.70	369.26	9.70	-62.00
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)CC1	REAL300012077756	0	46	0.0	-73.37	350.39	9.83	-63.54
CC1=C(Br)SC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077757	0	39	0.0	-70.81	320.94	8.98	-61.83
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Br)C3=CC=CN=C23)CC1	REAL300012077758	0	44	0.0	-68.65	348.22	9.57	-59.08
CC1=NC2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C2C=C1	REAL300012077759	0	47	0.0	-77.06	354.67	9.61	-67.45
COC1=CC=C(OC2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C2)C=C1	REAL300012077760	0	54	0.0	-74.02	408.14	10.70	-63.32
O=C([O-])C1CCCC([NH2+]CC2=NC=CC=C2C(F)(F)F)CC1	REAL300012077761	0	41	0.0	-62.11	313.39	7.62	-54.49
CC1=CC(C2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C2)=CC(C)=C1	REAL300012077762	0	55	0.0	-72.12	406.70	13.30	-58.82
CC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1N1C=NC=N1	REAL300012077763	0	48	0.0	-80.84	360.20	12.03	-68.81
O=C([O-])C1CCCC([NH2+]CC2=CC3=CC(F)=CC=C3O2)CC1	REAL300012077764	0	42	0.0	-75.62	325.57	9.18	-66.44
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OCC(F)F)C=C2)CC1	REAL300012077765	0	46	0.0	-76.38	354.05	9.10	-67.28
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077766	0	49	0.0	-76.53	384.61	10.88	-65.65
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)CC1	REAL300012077767	0	53	0.0	-73.32	408.97	11.93	-61.39
CCCCOC1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077768	0	52	0.0	-65.00	382.45	10.42	-54.58
O=C([O-])C1CCCC([NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)CC1	REAL300012077769	0	50	0.0	-74.97	390.29	12.66	-62.31
CC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C(OC(F)F)C=C1C	REAL300012077770	0	49	0.0	-69.61	366.82	9.39	-60.22
COC1=CC(C)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012077771	0	50	0.0	-73.63	362.95	8.37	-65.26
O=C([O-])C1CCCC([NH2+]CC2=NC(C3=CC(Cl)=CC=C3Cl)=CS2)CC1	REAL300012077772	0	45	0.0	-72.97	383.30	10.77	-62.20
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077773	0	45	0.0	-74.95	353.53	9.44	-65.51
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077774	0	45	0.0	-69.76	352.56	6.64	-63.12
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077775	0	48	0.0	-71.50	370.24	8.28	-63.22
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CSC=C2)CC1	REAL300012077776	0	43	0.0	-72.26	336.39	7.39	-64.87
CSC1=CC(Br)=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077777	0	43	0.0	-67.52	346.84	10.07	-57.45
O=C([O-])C1CCCC([NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)CC1	REAL300012077778	0	49	0.0	-79.13	381.94	10.32	-68.81
CC1CCC2=C(C1)SC(C[NH2+]C1CCCC(C(=O)[O-])CC1)=N2	REAL300012077779	0	48	0.0	-69.85	360.62	8.93	-60.92
CC(C)(C)C1CCC(C[NH2+]C2CCCC(C(=O)[O-])CC2)CC1	REAL300012077780	0	57	0.0	-68.94	379.22	10.87	-58.07
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC(F)F)C(Br)=C2)CC1	REAL300012077781	0	43	0.0	-76.03	351.54	8.86	-67.17
O=C([O-])C1CCCC([NH2+]CC2=CN(CC3=CC=C(C(F)(F)F)C=C3)N=C2)CC1	REAL300012077782	0	52	0.0	-79.63	414.26	11.26	-68.37
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077783	0	53	0.0	-67.88	392.05	11.32	-56.56
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077784	0	53	0.0	-67.94	392.03	11.31	-56.63
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077785	0	52	0.0	-71.73	387.30	9.55	-62.18
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OCC3CC3)C=C2)CC1	REAL300012077786	0	50	0.0	-71.80	372.71	10.37	-61.43
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OC2=CC=C(F)C=C2Cl)CC1	REAL300012077787	0	50	0.0	-69.09	398.48	11.96	-57.13
COC1=CC(Cl)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1Cl	REAL300012077788	0	43	0.0	-69.46	348.03	8.83	-60.63
CC(C)CC1=NC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)S1	REAL300012077789	0	47	0.0	-70.42	355.90	8.52	-61.90
O=C([O-])C1CCCC([NH2+]CC2=CN=C(C3=CC=CS3)S2)CC1	REAL300012077790	0	42	0.0	-72.91	346.74	8.63	-64.28
O=C([O-])C1CCCC([NH2+]CC2=CN=C(C3=CSC=C3)S2)CC1	REAL300012077791	0	42	0.0	-72.87	346.00	8.51	-64.36
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)S2)O1	REAL300012077792	0	45	0.0	-73.61	359.17	8.49	-65.12
CC1=CC(Br)=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077793	0	42	0.0	-72.35	325.94	9.77	-62.58
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Cl)C(Br)=C2)CC1	REAL300012077794	0	39	0.0	-76.61	328.00	9.69	-66.92
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CC=CC=C2F)CC1	REAL300012077795	0	46	0.0	-73.77	352.26	8.49	-65.28
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)CC1	REAL300012077796	0	48	0.0	-73.91	363.74	10.24	-63.67
O=C([O-])C1CCCC([NH2+]CC2=C(Cl)OC3=CC=CC=C32)CC1	REAL300012077797	0	42	0.0	-69.29	333.80	9.51	-59.78
COCCOC1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077798	0	50	0.0	-65.82	373.08	8.10	-57.72
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Cl)C=C2Br)CC1	REAL300012077799	0	39	0.0	-68.75	321.95	9.64	-59.11
COC1=C(Br)C=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077800	0	43	0.0	-69.99	339.33	8.61	-61.38
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2=CC=CS2)=N1	REAL300012077801	0	46	0.0	-68.39	354.19	8.89	-59.50
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=CC=C2OC2CCCC2)CC1	REAL300012077802	0	53	0.0	-66.86	400.27	11.31	-55.55
COC1=CC(Br)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(OC)=C1	REAL300012077803	0	47	0.0	-61.57	365.13	7.70	-53.87
O=C([O-])C1CCCC([NH2+]CC2=C(Cl)C=CC=C2OC2=CC=CC=C2)CC1	REAL300012077804	0	50	0.0	-60.60	390.36	11.76	-48.84
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=CC=C2OCC2CCCO2)CC1	REAL300012077805	0	54	0.0	-67.63	413.21	9.81	-57.82
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077806	0	58	0.0	-73.32	416.93	12.07	-61.25
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)CC1	REAL300012077807	0	46	0.0	-72.38	356.13	10.52	-61.86
CC(C)(C)C1=NC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)S1	REAL300012077808	0	47	0.0	-70.09	356.30	8.34	-61.75
O=C([O-])C1CCCC([NH2+]CC2=CC=C3OCCOC3=C2)CC1	REAL300012077809	0	45	0.0	-73.28	336.37	7.78	-65.50
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(Br)=C2)CC1	REAL300012077810	0	39	0.0	-71.25	313.16	9.23	-62.02
O=C([O-])C1CCCC([NH2+]CC2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300012077811	0	46	0.0	-76.24	350.11	9.80	-66.44
O=C([O-])C1CCCC([NH2+]CC2=CN(CC3=CC=CC=C3Cl)N=C2)CC1	REAL300012077812	0	49	0.0	-75.61	386.71	10.68	-64.93
CC(=O)NC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077813	0	46	0.0	-76.11	346.10	7.45	-68.66
CCN(CC)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077814	0	53	0.0	-67.74	387.09	10.94	-56.80
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Br)C=C2)CC1	REAL300012077815	0	39	0.0	-73.39	310.97	9.18	-64.21
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC(OC)=C1OC	REAL300012077816	0	51	0.0	-79.10	381.33	7.67	-71.43
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OC(F)F)CC1	REAL300012077817	0	43	0.0	-69.80	327.36	8.19	-61.61
COC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1OC	REAL300012077818	0	47	0.0	-68.64	348.19	7.82	-60.82
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Cl)C=C2Cl)CC1	REAL300012077819	0	39	0.0	-69.51	318.38	9.53	-59.98
O=C([O-])C1CCCC([NH2+]CC2=CC=C(N3CCOCC3)C=C2)CC1	REAL300012077820	0	52	0.0	-71.36	375.85	7.47	-63.89
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012077821	0	47	0.0	-75.40	350.62	7.81	-67.59
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(OC)=C1	REAL300012077822	0	47	0.0	-67.90	347.50	7.18	-60.72
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012077823	0	42	0.0	-76.12	328.41	9.56	-66.56
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(Cl)=C2Cl)CC1	REAL300012077824	0	39	0.0	-66.91	316.52	9.49	-57.42
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012077825	0	39	0.0	-76.57	323.79	9.59	-66.98
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077826	0	60	0.0	-69.32	439.74	13.68	-55.64
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC(F)F)C=C2)CC1	REAL300012077827	0	43	0.0	-74.06	328.94	8.14	-65.92
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2C(F)(F)F)CC1	REAL300012077828	0	42	0.0	-71.24	318.11	9.61	-61.63
CCCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077829	0	52	0.0	-71.47	384.03	10.37	-61.10
CC(C)CCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077830	0	55	0.0	-71.37	401.60	10.89	-60.48
CCCCCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077831	0	58	0.0	-71.36	427.03	11.93	-59.43
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)CC1	REAL300012077832	0	50	0.0	-75.78	381.54	11.48	-64.30
CCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(OCCC)=C1	REAL300012077833	0	59	0.0	-66.98	434.21	10.64	-56.34
CCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012077834	0	50	0.0	-75.29	372.47	8.73	-66.56
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300012077835	0	42	0.0	-73.57	330.93	9.63	-63.94
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(OC)=C1OC	REAL300012077836	0	51	0.0	-72.46	376.93	7.57	-64.89
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OCC1=CC=CC=C1	REAL300012077837	0	57	0.0	-76.64	432.38	11.79	-64.85
COC1=CC=C(Br)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077838	0	43	0.0	-67.23	339.27	8.51	-58.72
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC(Br)=C1O	REAL300012077839	0	44	0.0	-79.98	351.95	6.35	-73.63
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300012077840	0	49	0.0	-72.05	363.90	11.98	-60.07
COC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C2=CC=CC=C2C=C1	REAL300012077841	0	49	0.0	-64.49	360.06	10.03	-54.46
O=C([O-])C1CCCC([NH2+]CC2=C(Cl)C=CC=C2Cl)CC1	REAL300012077842	0	39	0.0	-61.24	319.97	9.45	-51.79
COC1=CC(OC)=C(OC)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077843	0	51	0.0	-70.80	376.64	7.10	-63.70
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077844	0	49	0.0	-73.41	385.47	10.60	-62.81
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)CC1	REAL300012077845	0	53	0.0	-72.14	402.55	11.87	-60.27
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2Br)CC1	REAL300012077846	0	39	0.0	-65.77	305.75	9.10	-56.67
O=C([O-])C1CCCC([NH2+]CC2=CN(C3=CC=C(Br)C=C3)N=C2)CC1	REAL300012077847	0	46	0.0	-77.74	369.98	10.37	-67.37
O=C([O-])C1CCCC([NH2+]CC2=CN(CC(F)(F)F)N=C2)CC1	REAL300012077848	0	42	0.0	-77.95	331.67	7.72	-70.23
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C(C)(C)C)=N1	REAL300012077849	0	51	0.0	-70.53	357.94	8.55	-61.98
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2I)CC1	REAL300012077850	0	39	0.0	-64.77	311.08	9.55	-55.22
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC(F)F)C=C2OC(F)F)CC1	REAL300012077851	0	47	0.0	-74.41	367.00	7.74	-66.67
O=C([O-])C1CCCC([NH2+]CC2=CC=C(N3CCCCC3)C([N+](=O)[O-])=C2)CC1	REAL300012077852	0	56	0.0	-84.78	414.88	11.86	-72.92
CN(CCC#N)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077853	0	51	0.0	-74.27	383.59	10.42	-63.85
O=C([O-])C1CCCC([NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)CC1	REAL300012077854	0	49	0.0	-68.55	369.80	10.29	-58.26
CCOC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1OC	REAL300012077855	0	50	0.0	-68.26	371.12	8.83	-59.43
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OCC(N)=O	REAL300012077856	0	51	0.0	-87.79	389.20	5.78	-82.01
C#CCOC1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077857	0	45	0.0	-66.20	345.24	9.38	-56.82
CCNC(=O)COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012077858	0	57	0.0	-86.15	432.62	8.06	-78.09
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC2=C1OCO2	REAL300012077859	0	46	0.0	-79.24	347.45	6.56	-72.68
O=C([O-])C1CCCC([NH2+]CC2=NN(C3=CC=CC=C3)N=C2)CC1	REAL300012077860	0	45	0.0	-72.94	343.91	8.34	-64.60
COC1=CC2=C(C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1)OC(C)C2	REAL300012077861	0	51	0.0	-67.24	375.00	8.49	-58.75
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC(OC)=C1OCC(N)=O	REAL300012077862	0	55	0.0	-87.44	419.91	5.51	-81.93
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC(Cl)=C1OCC(N)=O	REAL300012077863	0	51	0.0	-87.15	408.58	6.38	-80.77
CCN(C(C)=O)C1=NC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CS1	REAL300012077864	0	48	0.0	-70.10	367.21	8.36	-61.74
COC1=CC=CC(OC)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077865	0	47	0.0	-60.86	348.18	7.35	-53.51
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(I)=C2)CC1	REAL300012077866	0	39	0.0	-70.95	319.65	9.71	-61.24
O=C([O-])C1CCCC([NH2+]CC2=CC=C(I)C=C2)CC1	REAL300012077867	0	39	0.0	-73.20	317.46	9.66	-63.54
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012077868	0	49	0.0	-74.51	384.70	9.40	-65.11
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077869	0	52	0.0	-64.47	377.84	12.39	-52.08
CS(=O)(=O)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077870	0	45	0.0	-80.90	350.37	6.08	-74.82
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)CC1	REAL300012077871	0	49	0.0	-72.94	382.89	12.57	-60.37
COC1=CC=C(Cl)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077872	0	43	0.0	-67.28	334.69	8.40	-58.88
COC(=O)C1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CN1C	REAL300012077873	0	46	0.0	-76.05	350.70	8.78	-67.27
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)CC1	REAL300012077874	0	52	0.0	-75.06	395.32	10.17	-64.89
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Br)C=N2)CC1	REAL300012077875	0	38	0.0	-71.04	307.56	7.35	-63.69
O=C([O-])C1CCCC([NH2+]CC2=CN=C(N3CCOCC3)S2)CC1	REAL300012077876	0	48	0.0	-73.56	363.52	5.85	-67.71
C#CCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077877	0	48	0.0	-72.50	368.32	10.11	-62.39
CC1=NN(C)C2=NC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C12	REAL300012077878	0	47	0.0	-83.72	357.55	8.31	-75.41
O=C([O-])C1CCCC([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)CC1	REAL300012077879	0	42	0.0	-69.48	333.17	9.57	-59.91
CCOCC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OC	REAL300012077880	0	53	0.0	-70.74	395.46	8.83	-61.91
O=C([O-])C1CCCC([NH2+]CC2=NC=CN2CC(F)(F)F)CC1	REAL300012077881	0	42	0.0	-74.69	328.82	8.05	-66.64
O=C([O-])C1CCCC([NH2+]CC2=CSC(C3=CC=C4OCOC4=C3)=N2)CC1	REAL300012077882	0	48	0.0	-72.22	380.37	8.03	-64.19
O=C([O-])C1CCCC([NH2+]CC2=CC(C(F)(F)F)=CC=C2Br)CC1	REAL300012077883	0	42	0.0	-68.42	344.02	10.12	-58.30
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Br)C=C2C(F)(F)F)CC1	REAL300012077884	0	42	0.0	-75.47	339.74	10.21	-65.26
O=C([O-])C1CCCC([NH2+]CC2=C(F)C=CC=C2Br)CC1	REAL300012077885	0	39	0.0	-62.13	313.22	9.04	-53.09
O=C([O-])C1CCCC([NH2+]CC2=CSC=C2Br)CC1	REAL300012077886	0	36	0.0	-65.37	298.16	8.06	-57.31
CC(C)COC1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077887	0	52	0.0	-64.97	381.06	10.33	-54.64
O=C([O-])C1CCCC([NH2+]CC2=NC3=C(CCCC3)S2)CC1	REAL300012077888	0	45	0.0	-67.95	338.00	8.30	-59.65
O=C([O-])C1CCCC([NH2+]CC2=CC(F)=CC(Br)=C2)CC1	REAL300012077889	0	39	0.0	-76.71	319.00	9.26	-67.45
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(F)=C2Br)CC1	REAL300012077890	0	39	0.0	-66.89	310.63	9.18	-57.71
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(Br)=C2F)CC1	REAL300012077891	0	39	0.0	-69.24	314.62	9.22	-60.02
CC(C)(C)C1=NC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=N1	REAL300012077892	0	49	0.0	-75.65	363.50	8.58	-67.07
CS(=O)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077893	0	44	0.0	-81.53	341.89	7.15	-74.38
O=C([O-])C1CCCC([NH2+]CC2=CC=C3CCCCC3=C2)CC1	REAL300012077894	0	49	0.0	-70.40	353.99	11.07	-59.33
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C)=C1OC	REAL300012077895	0	50	0.0	-73.86	365.98	8.51	-65.35
O=C([O-])C1CCCC([NH2+]CC2=CSC(Cl)=C2Cl)CC1	REAL300012077896	0	36	0.0	-69.76	310.81	8.53	-61.23
O=C([O-])C1CCCC([NH2+]CC2=CN=C(C(F)(F)F)S2)CC1	REAL300012077897	0	38	0.0	-77.93	315.53	6.97	-70.96
CS(=O)(=O)C1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077898	0	45	0.0	-78.60	352.58	6.13	-72.47
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3CCCC3)C=C2)CC1	REAL300012077899	0	52	0.0	-68.96	373.23	11.75	-57.21
O=C([O-])C1CCCC([NH2+]CC2=NC=CN2C2=CC=CC=C2)CC1	REAL300012077900	0	46	0.0	-65.53	345.84	10.17	-55.36
O=C([O-])C1CCCC([NH2+]CC2=CC=NN2C2CCCC2)CC1	REAL300012077901	0	49	0.0	-74.83	355.61	9.03	-65.80
COC1=CC2=CC=CC=C2C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077902	0	49	0.0	-68.56	363.75	10.17	-58.39
COC1=CC(C)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C)=N1	REAL300012077903	0	48	0.0	-76.06	351.81	6.32	-69.74
COC1=CC=CC(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077904	0	43	0.0	-61.51	331.63	8.33	-53.18
CCC1=CC(OC)=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077905	0	49	0.0	-70.48	352.75	9.11	-61.37
CC1=NC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)N1C1=CC=CC=C1	REAL300012077906	0	49	0.0	-67.72	370.11	10.88	-56.84
CCCN1N=C(C)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1C	REAL300012077907	0	51	0.0	-73.63	376.32	8.97	-64.66
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3CCC3)C=C2)CC1	REAL300012077908	0	49	0.0	-69.02	355.44	11.15	-57.87
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC2=CC=CC=C21	REAL300012077909	0	49	0.0	-73.86	363.93	10.15	-63.71
CCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1F	REAL300012077910	0	46	0.0	-77.34	349.45	8.92	-68.42
COC1=CC=CC2=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=CC=C12	REAL300012077911	0	49	0.0	-72.94	358.57	10.00	-62.94
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1C#N	REAL300012077912	0	44	0.0	-84.17	341.58	8.33	-75.84
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077913	0	49	0.0	-68.93	364.82	10.36	-58.57
O=C([O-])C1CCCC([NH2+]CC2=NC=C(C(F)(F)F)S2)CC1	REAL300012077914	0	38	0.0	-75.48	316.62	6.89	-68.59
O=C([O-])C1CCCC([NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)CC1	REAL300012077915	0	46	0.0	-75.86	353.36	6.85	-69.01
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(Br)=C1	REAL300012077916	0	43	0.0	-67.25	334.77	8.41	-58.84
CC1=CC(Br)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)S1	REAL300012077917	0	39	0.0	-64.92	321.00	8.99	-55.93
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077918	0	54	0.0	-72.91	401.57	11.32	-61.59
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077919	0	49	0.0	-59.71	378.63	11.25	-48.46
CN1C(=O)CCC2=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CC=C21	REAL300012077920	0	50	0.0	-81.19	367.15	9.48	-71.71
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077921	0	54	0.0	-67.42	415.44	11.84	-55.58
CC1=CC=C(OC(F)F)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077922	0	46	0.0	-69.73	349.08	8.85	-60.88
O=C([O-])C1CCCC([NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)CC1	REAL300012077923	0	45	0.0	-73.89	371.59	10.08	-63.81
O=C([O-])C1CCCC([NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)CC1	REAL300012077924	0	45	0.0	-74.86	359.00	9.82	-65.04
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077925	0	56	0.0	-66.75	413.52	11.99	-54.76
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)CC1	REAL300012077926	0	50	0.0	-66.71	387.86	10.93	-55.78
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC(OC)=C1OCC(F)F	REAL300012077927	0	54	0.0	-82.64	416.19	8.92	-73.72
O=C([O-])C1CCCC([NH2+]CC2=CC=NC3=C(Br)C=CC=C23)CC1	REAL300012077928	0	44	0.0	-81.21	346.42	9.51	-71.70
O=C([O-])C1CCCC([NH2+]CC2=CN=C(C3CCCC3)S2)CC1	REAL300012077929	0	48	0.0	-70.18	361.36	9.19	-60.99
O=C([O-])C1CCCC([NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)CC1	REAL300012077930	0	45	0.0	-74.09	363.02	9.78	-64.31
O=C([O-])C1CCCC([NH2+]CC2=CN=C(C3=CC=CO3)S2)CC1	REAL300012077931	0	42	0.0	-75.09	337.64	7.64	-67.45
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Br)C(Cl)=C2)CC1	REAL300012077932	0	39	0.0	-76.66	328.00	9.69	-66.97
O=C([O-])C1CCCC([NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)CC1	REAL300012077933	0	51	0.0	-72.15	399.05	11.07	-61.08
CN1C=C(C2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C2)C=N1	REAL300012077934	0	49	0.0	-74.97	369.80	9.87	-65.10
O=C([O-])C1CCCC([NH2+]CC2=CN(CC(F)F)N=C2)CC1	REAL300012077935	0	42	0.0	-74.99	326.79	7.50	-67.49
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)CC1	REAL300012077936	0	50	0.0	-75.09	387.56	11.57	-63.52
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2=CC=C(F)C=C2)=N1	REAL300012077937	0	49	0.0	-72.57	375.37	9.76	-62.81
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2=CC=C(C#N)C=C2)=N1	REAL300012077938	0	50	0.0	-78.07	389.77	10.10	-67.97
CN(C)C(=O)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)N1	REAL300012077939	0	47	0.0	-83.10	346.77	6.75	-76.35
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=N1	REAL300012077940	0	53	0.0	-79.48	399.62	11.02	-68.46
CCC1=NN(C)C(CC)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077941	0	51	0.0	-73.55	375.99	8.80	-64.75
O=C([O-])C1CCCC([NH2+]CC2=CN=C(C3CCC3)S2)CC1	REAL300012077942	0	45	0.0	-70.19	344.02	8.67	-61.52
O=C([O-])C1CCCC([NH2+]CC2=CN=C(C3CCCO3)S2)CC1	REAL300012077943	0	46	0.0	-74.06	353.88	6.76	-67.30
CC1=CC=CC=C1N1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)N=N1	REAL300012077944	0	48	0.0	-72.58	363.52	9.28	-63.30
CN1N=C(Br)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077945	0	39	0.0	-78.51	311.79	6.63	-71.88
CN1C=C(C2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)S2)C=N1	REAL300012077946	0	46	0.0	-74.01	363.79	9.22	-64.79
O=C([O-])C1CCCC([NH2+]CC2=CC=C3OCCCCOC3=C2)CC1	REAL300012077947	0	51	0.0	-77.60	370.36	9.48	-68.12
CCOC1=C(Cl)C=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077948	0	46	0.0	-69.64	356.87	9.45	-60.19
O=C([O-])C1CCCC([NH2+]CC2=CC=C(F)C(Cl)=C2Cl)CC1	REAL300012077949	0	39	0.0	-73.99	323.57	9.49	-64.50
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077950	0	50	0.0	-70.60	375.06	8.92	-61.68
O=C([O-])C1CCCC([NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)CC1	REAL300012077951	0	43	0.0	-64.22	339.39	8.43	-55.79
O=C([O-])C1CCCC([NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)CC1	REAL300012077952	0	46	0.0	-74.37	352.45	9.50	-64.87
CC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2=CN(C)N=C2)=C1	REAL300012077953	0	52	0.0	-65.22	387.74	10.37	-54.85
CC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2=CC=NN2C)=C1	REAL300012077954	0	52	0.0	-69.05	383.20	10.05	-59.00
O=C([O-])C1CCCC([NH2+]CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)CC1	REAL300012077955	0	49	0.0	-79.31	387.40	10.75	-68.56
CC1=CC(Br)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1Cl	REAL300012077956	0	42	0.0	-65.97	341.58	10.19	-55.78
O=C([O-])C1CCCC([NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)CC1	REAL300012077957	0	49	0.0	-69.31	389.06	10.51	-58.80
CC(C)(C)C1=CN=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)S1	REAL300012077958	0	47	0.0	-67.01	358.29	8.43	-58.58
N#CCCN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2=CC=NC=C2)=N1	REAL300012077959	0	52	0.0	-79.80	406.34	9.32	-70.48
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)CC1	REAL300012077960	0	45	0.0	-67.49	350.52	12.15	-55.34
COC(=O)C1=C(C)N(C)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012077961	0	49	0.0	-79.18	366.68	9.02	-70.16
COCCCN1N=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077962	0	49	0.0	-74.03	362.38	6.91	-67.12
CC1=CC(F)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(Cl)=C1	REAL300012077963	0	42	0.0	-64.15	332.05	9.69	-54.46
COCCOCC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077964	0	53	0.0	-73.14	400.22	8.52	-64.62
CSCC1=CN=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)S1	REAL300012077965	0	42	0.0	-72.27	342.69	7.74	-64.53
O=C([O-])C1CCCC([NH2+]CC2=CSC=C2C(F)(F)F)CC1	REAL300012077966	0	39	0.0	-66.46	309.37	8.53	-57.93
CC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)SC2=C(Cl)C=CC=C12	REAL300012077967	0	45	0.0	-71.95	360.48	11.06	-60.89
O=C([O-])C1CCCC([NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)CC1	REAL300012077968	0	53	0.0	-79.75	414.71	10.99	-68.76
O=C([O-])C1CCCC([NH2+]CC2=CC=C(F)C=C2I)CC1	REAL300012077969	0	39	0.0	-68.17	316.92	9.63	-58.54
O=C([O-])C1CCCC([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)CC1	REAL300012077970	0	42	0.0	-81.88	329.46	7.64	-74.24
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C2CCCC(C(=O)[O-])CC2)O1	REAL300012077971	0	49	0.0	-69.03	373.86	8.97	-60.06
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=CN=C2Cl)CC1	REAL300012077972	0	38	0.0	-71.08	318.09	7.77	-63.31
O=C([O-])C1CCCC([NH2+]CC2=CC(OC(F)F)=CC=C2Br)CC1	REAL300012077973	0	43	0.0	-68.85	344.53	8.68	-60.17
COC(=O)C1=C(C)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CN1	REAL300012077974	0	46	0.0	-77.12	347.05	7.58	-69.54
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)S2)C=C1C	REAL300012077975	0	51	0.0	-72.86	393.23	10.76	-62.10
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077976	0	49	0.0	-79.66	372.71	10.50	-69.16
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077977	0	49	0.0	-77.19	380.43	11.03	-66.16
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077978	0	52	0.0	-75.19	389.29	11.03	-64.16
CC(C)(C#N)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012077979	0	49	0.0	-76.12	366.30	10.51	-65.61
O=C([O-])C1CCCC([NH2+]CC2=CN=NN2C2=CC=CC=C2)CC1	REAL300012077980	0	45	0.0	-75.28	339.76	8.17	-67.11
COC1=CC(OC)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1F	REAL300012077981	0	47	0.0	-71.25	353.27	7.29	-63.96
COC1=CC(F)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012077982	0	47	0.0	-72.55	353.05	7.79	-64.76
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3F)=C2)CC1	REAL300012077983	0	53	0.0	-72.23	413.27	12.13	-60.10
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012077984	0	52	0.0	-75.83	389.77	11.01	-64.82
CCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C)=C1	REAL300012077985	0	52	0.0	-70.60	377.46	10.17	-60.43
O=C([O-])C1CCCC([NH2+]CC2=CC3=CC=NC=C3S2)CC1	REAL300012077986	0	41	0.0	-74.60	321.57	8.30	-66.30
O=C([O-])C1CCCC([NH2+]CC2=CC3=CC(Br)=CC=C3O2)CC1	REAL300012077987	0	42	0.0	-74.75	340.44	9.73	-65.02
CCC1=C2OC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CC2=CC=C1	REAL300012077988	0	48	0.0	-72.71	362.05	10.55	-62.16
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OC3CC3)=C2F)CC1	REAL300012077989	0	47	0.0	-71.67	355.35	9.55	-62.12
CCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C)=C1	REAL300012077990	0	49	0.0	-70.86	355.99	9.38	-61.48
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(F)=C2OC(F)F)CC1	REAL300012077991	0	43	0.0	-72.11	333.80	8.27	-63.84
O=C([O-])C1CCCC([NH2+]CC2=CC(F)=CC=C2OC(F)F)CC1	REAL300012077992	0	43	0.0	-72.58	334.06	8.25	-64.33
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(C3CCCC3)=C2)CC1	REAL300012077993	0	52	0.0	-68.74	376.20	11.84	-56.90
CN1C=C(C2=NN(C)C=C2C[NH2+]C2CCCC(C(=O)[O-])CC2)C=N1	REAL300012077994	0	49	0.0	-73.73	373.09	7.54	-66.19
O=C([O-])C1CCCC([NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)CC1	REAL300012077995	0	45	0.0	-73.32	371.59	10.08	-63.24
O=C([O-])C1CCCC([NH2+]CC2=CSC(C(F)(F)F)=C2)CC1	REAL300012077996	0	39	0.0	-77.52	321.89	8.73	-68.79
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C(F)(F)F)O2)CC1	REAL300012077997	0	39	0.0	-73.84	311.39	7.92	-65.92
O=C([O-])C1CCCC([NH2+]CC2=C(C(F)(F)F)SC=C2)CC1	REAL300012077998	0	39	0.0	-64.46	310.95	8.67	-55.79
CN(C)C1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=CC(F)=C1F	REAL300012077999	0	47	0.0	-74.63	349.97	8.60	-66.03
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CC=C(Br)S2)CC1	REAL300012078000	0	43	0.0	-70.08	352.88	8.30	-61.78
O=C([O-])C1CCCC([NH2+]CC2=C(F)C=CC(F)=C2Cl)CC1	REAL300012078001	0	39	0.0	-64.94	314.62	9.03	-55.91
CC(C)OC1=CC(Cl)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1Cl	REAL300012078002	0	49	0.0	-69.17	387.80	10.38	-58.79
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC3CCOC3)C=C2)CC1	REAL300012078003	0	51	0.0	-74.20	377.22	8.29	-65.91
CN(C)C1=CC(F)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1F	REAL300012078004	0	47	0.0	-72.06	356.28	8.09	-63.97
COC(=O)C1=C2CCCCN2C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078005	0	53	0.0	-81.60	393.06	10.32	-71.28
O=C([O-])C1CCCC([NH2+]CC2=CC=C(F)C(F)=C2F)CC1	REAL300012078006	0	39	0.0	-78.05	307.99	8.68	-69.37
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC(C(F)(F)F)=C1	REAL300012078007	0	46	0.0	-76.75	359.51	8.87	-67.88
C=CCOC1=C(Cl)C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012078008	0	51	0.0	-78.91	404.75	9.94	-68.97
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC1CC1	REAL300012078009	0	51	0.0	-76.55	381.66	9.48	-67.07
CN1N=C(C(F)(F)F)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078010	0	42	0.0	-81.75	331.62	7.08	-74.67
COCC(C)OC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012078011	0	53	0.0	-73.68	391.20	8.77	-64.91
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OCC2=CC=C(F)C=C2F)CC1	REAL300012078012	0	53	0.0	-71.26	409.20	12.09	-59.17
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)CC1	REAL300012078013	0	46	0.0	-72.24	359.32	11.25	-60.99
O=C([O-])C1CCCC([NH2+]CC2=CC=NN2CCC2=CC=CC=C2)CC1	REAL300012078014	0	52	0.0	-75.83	387.83	10.83	-65.00
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)CC1	REAL300012078015	0	46	0.0	-75.50	366.67	9.41	-66.09
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1C(C)(C)C	REAL300012078016	0	55	0.0	-72.39	391.96	10.57	-61.82
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(CC3CCC3)=C2)CC1	REAL300012078017	0	52	0.0	-68.63	382.93	12.13	-56.50
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078018	0	47	0.0	-64.03	364.09	7.81	-56.22
CC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=NC=C1Br	REAL300012078019	0	41	0.0	-70.62	326.07	7.94	-62.68
CC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C(Br)C=C1F	REAL300012078020	0	42	0.0	-66.92	331.59	9.84	-57.08
O=C([O-])C1CCCC([NH2+]CC2=C(O)C=CC=C2Br)CC1	REAL300012078021	0	40	0.0	-66.57	318.89	6.27	-60.30
CN1C=C(C2=NC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CS2)C=N1	REAL300012078022	0	45	0.0	-72.03	360.78	7.17	-64.86
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1Cl	REAL300012078023	0	43	0.0	-76.08	337.40	8.47	-67.61
O=C([O-])C1CCCC([NH2+]CC2=CC=NN2CC2CCC2)CC1	REAL300012078024	0	49	0.0	-75.03	360.75	9.07	-65.96
O=C([O-])C1CCCC([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)CC1	REAL300012078025	0	45	0.0	-76.43	350.59	8.47	-67.96
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2CC(F)(F)F)CC1	REAL300012078026	0	45	0.0	-69.48	339.12	10.09	-59.39
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(Br)=N1	REAL300012078027	0	39	0.0	-69.34	312.99	6.84	-62.50
CC(=O)NC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078028	0	46	0.0	-79.35	347.96	7.52	-71.83
CN1N=CC2=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CN=C21	REAL300012078029	0	44	0.0	-82.21	334.14	7.67	-74.54
O=C([O-])C1CCCC([NH2+]CC2=NC=C(Br)C=C2F)CC1	REAL300012078030	0	38	0.0	-68.64	312.92	7.37	-61.27
COC1=CC(Cl)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC	REAL300012078031	0	47	0.0	-70.73	360.37	8.21	-62.52
O=C([O-])C1CCCC([NH2+]CC2=CC=C(CC(F)(F)F)C=C2)CC1	REAL300012078032	0	45	0.0	-72.70	350.66	10.34	-62.36
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078033	0	59	0.0	-74.35	439.77	9.06	-65.29
CN1N=C2CCCCC2=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078034	0	49	0.0	-74.67	353.67	8.55	-66.12
CCOC(=O)C1=C(C)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C(C)N1	REAL300012078035	0	52	0.0	-76.40	391.47	8.98	-67.42
O=C([O-])C1CCCC([NH2+]CC2=CN=C(Cl)C(F)=C2)CC1	REAL300012078036	0	38	0.0	-83.10	308.88	7.27	-75.83
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)CC1	REAL300012078037	0	49	0.0	-73.91	384.89	12.59	-61.32
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Br)C(F)=C2F)CC1	REAL300012078038	0	39	0.0	-76.64	322.29	9.23	-67.41
O=C([O-])C1CCCC([NH2+]CC2=C(Br)SC=C2)CC1	REAL300012078039	0	36	0.0	-63.97	297.45	8.20	-55.77
CCOC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C(F)C=C1OC	REAL300012078040	0	50	0.0	-72.53	374.90	8.71	-63.82
COC1=NC=C(Br)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078041	0	42	0.0	-69.53	336.50	5.94	-63.59
O=C([O-])C1CCCC([NH2+]CC2=CC=C(F)C3=CC=CC=C23)CC1	REAL300012078042	0	45	0.0	-75.13	335.98	10.71	-64.42
O=C([O-])C1CCCC([NH2+]CC2=CC=CN=C2Br)CC1	REAL300012078043	0	38	0.0	-70.07	300.35	7.23	-62.84
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2CN2C(=O)C3=CC=CC=C3C2=O)CC1	REAL300012078044	0	53	0.0	-75.41	408.82	8.19	-67.22
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C(F)C=C1Br	REAL300012078045	0	43	0.0	-73.66	344.24	8.55	-65.11
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(Br)=C2Cl)CC1	REAL300012078046	0	39	0.0	-67.04	320.74	9.60	-57.44
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)CC1	REAL300012078047	0	43	0.0	-73.21	340.40	8.50	-64.71
CC(C)OC1=CC=C(F)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078048	0	49	0.0	-67.47	364.14	9.51	-57.96
CCOC1=CC(F)=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078049	0	46	0.0	-74.87	349.06	8.87	-66.00
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)CC1	REAL300012078050	0	53	0.0	-81.56	387.83	9.64	-71.92
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC(F)F)C=C2F)CC1	REAL300012078051	0	43	0.0	-73.00	333.63	8.15	-64.85
CC(C)(C)OC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078052	0	52	0.0	-68.89	372.27	9.76	-59.13
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C(F)C=C1C	REAL300012078053	0	46	0.0	-69.14	343.90	8.63	-60.51
CC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C)=C1Br	REAL300012078054	0	45	0.0	-71.05	340.96	10.24	-60.81
CC1=CC=NC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1Br	REAL300012078055	0	41	0.0	-64.20	322.90	7.83	-56.37
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012078056	0	56	0.0	-74.47	411.81	8.81	-65.66
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2=CC(F)=CC=C2F)=N1	REAL300012078057	0	49	0.0	-73.77	381.68	9.87	-63.90
CC(C)(C)C1=CSC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=N1	REAL300012078058	0	47	0.0	-67.60	357.54	8.36	-59.24
COCCC1=NC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)S1	REAL300012078059	0	45	0.0	-72.59	351.32	6.34	-66.25
O=C([O-])C1CCCC([NH2+]CC2=CC(F)=CC=C2OC2=CN=CC(Cl)=C2)CC1	REAL300012078062	0	49	0.0	-72.71	395.23	10.21	-62.50
CN1N=C2CCSCC2=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078063	0	47	0.0	-76.59	356.38	8.30	-68.29
CCN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2=CC=CC=C2)=N1	REAL300012078064	0	52	0.0	-69.45	390.33	10.58	-58.87
O=C([O-])C1CCCC([NH2+]CC2=CC=CC3=C2CCOC3)CC1	REAL300012078065	0	47	0.0	-70.32	336.24	8.52	-61.80
COCC1=C(C)C=C(C)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1C	REAL300012078066	0	55	0.0	-68.12	392.05	9.73	-58.39
O=C([O-])C1CCCC([NH2+]CC2=CC=C3OC(=O)OC3=C2)CC1	REAL300012078067	0	41	0.0	-88.33	319.05	9.12	-79.21
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OC2=CC=C(F)C(Cl)=C2)CC1	REAL300012078068	0	50	0.0	-71.16	401.49	12.04	-59.12
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078069	0	53	0.0	-65.40	413.20	12.58	-52.82
O=C([O-])C1CCCC([NH2+]CC2=CC(F)=CC=C2OC2=CC=CC(Cl)=C2)CC1	REAL300012078070	0	50	0.0	-69.01	399.38	11.93	-57.08
CC1=C(Br)C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)S1	REAL300012078071	0	39	0.0	-69.64	322.04	9.05	-60.59
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)CC1	REAL300012078072	0	49	0.0	-75.12	382.22	12.51	-62.61
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(F)=C2I)CC1	REAL300012078073	0	39	0.0	-65.37	315.75	9.62	-55.75
CCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1C	REAL300012078074	0	52	0.0	-72.69	384.22	10.36	-62.33
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1COC1=CC=CC=C1	REAL300012078075	0	57	0.0	-72.69	429.23	11.31	-61.38
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1CN1C=CC=N1	REAL300012078076	0	53	0.0	-71.77	404.08	9.60	-62.17
CCOC1=CC=CC(F)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078077	0	46	0.0	-62.16	344.75	8.86	-53.30
CC1=CC=C(Br)C(F)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078078	0	42	0.0	-70.83	332.33	9.69	-61.14
CC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=CC=C1[N+](=O)[O-]	REAL300012078079	0	44	0.0	-81.84	329.74	9.79	-72.05
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078080	0	47	0.0	-80.34	348.93	10.22	-70.12
COC1=CC=C(CN2C=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)N=N2)C=C1	REAL300012078081	0	52	0.0	-77.57	398.95	8.23	-69.34
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(F)=C1OC	REAL300012078082	0	47	0.0	-73.73	357.88	7.87	-65.86
COC(=O)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(F)=C1	REAL300012078083	0	45	0.0	-75.86	349.05	9.25	-66.61
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)CC1	REAL300012078084	0	49	0.0	-75.24	378.12	8.92	-66.32
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)CC1	REAL300012078085	0	53	0.0	-72.23	403.14	11.90	-60.33
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OCC(F)F)CC1	REAL300012078086	0	46	0.0	-67.87	352.47	9.16	-58.71
O=C([O-])C1CCCC([NH2+]CC2=CC(F)=CC=C2OC2=CC(F)=CC(F)=C2)CC1	REAL300012078087	0	50	0.0	-70.54	395.46	11.54	-59.00
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078088	0	57	0.0	-65.68	426.71	11.90	-53.78
O=C([O-])C1CCCC([NH2+]CC2=CC(F)=CC=C2OC2=CC=C(Cl)C=C2)CC1	REAL300012078089	0	50	0.0	-69.18	399.34	11.92	-57.26
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078090	0	55	0.0	-75.61	406.69	11.56	-64.05
CC1=CC(C#N)=CC(C)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078091	0	46	0.0	-77.17	344.48	9.95	-67.22
O=C([O-])C1CCCC([NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300012078092	0	45	0.0	-69.10	371.05	9.87	-59.23
COC1=CC=C(C2=NC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CS2)C=C1	REAL300012078093	0	49	0.0	-69.27	383.76	8.67	-60.60
CC1=C2C=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=NC2=NN1	REAL300012078095	0	44	0.0	-85.54	332.90	7.06	-78.48
CS(=O)(=O)NC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078096	0	47	0.0	-81.92	365.25	5.35	-76.57
CN1N=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C2=CC=CC=C21	REAL300012078097	0	45	0.0	-71.23	339.42	8.47	-62.76
CN1C(Cl)=NC(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078098	0	39	0.0	-73.82	322.96	7.85	-65.97
CC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)N2C=CC=CC2=N1	REAL300012078099	0	45	0.0	-76.72	337.21	9.52	-67.20
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078100	1	59	0.0	-68.57	413.66	10.71	-57.86
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OCCN3C=CN=C3)C(Cl)=C2)CC1	REAL300012078101	0	53	0.0	-79.59	421.15	12.01	-67.58
O=C([O-])C1CCCC([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)CC1	REAL300012078102	0	45	0.0	-77.85	346.02	6.77	-71.08
CC1=NN2C(=NC(C)=C2C[NH2+]C2CCCC(C(=O)[O-])CC2)S1	REAL300012078103	0	44	0.0	-72.13	345.07	7.73	-64.40
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C2CCCC(C(=O)[O-])CC2)S1	REAL300012078104	0	50	0.0	-71.76	386.16	9.01	-62.75
CCCC(C[NH2+]C1CCCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300012078105	0	51	0.0	-73.89	368.51	11.32	-62.57
O=C([O-])C1CCCC([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)CC1	REAL300012078106	0	44	0.0	-61.09	343.44	9.48	-51.61
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C(F)(F)F)S2)CC1	REAL300012078107	0	39	0.0	-75.50	320.70	8.84	-66.66
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(OCC2=CC=CN=C2)=C1	REAL300012078108	0	56	0.0	-70.73	424.04	9.39	-61.34
O=C([O-])C1CCCC([NH2+]CC2=NC3=CC=C(Br)C=C3S2)CC1	REAL300012078109	0	41	0.0	-71.59	342.44	8.62	-62.97
CN(C)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C(F)(F)F)=C1	REAL300012078110	0	50	0.0	-71.45	370.91	10.00	-61.45
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078111	0	49	0.0	-72.61	373.64	11.20	-61.41
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078112	0	48	0.0	-71.28	379.89	10.15	-61.13
O=C([O-])C1CCCC([NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)CC1	REAL300012078113	0	58	0.0	-72.72	426.86	12.04	-60.68
O=C([O-])C1CCCC([NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)CC1	REAL300012078114	0	42	0.0	-74.85	349.37	9.89	-64.96
O=C([O-])C1CCCC([NH2+]CC2=CN(C3=CC=CC=C3Br)N=N2)CC1	REAL300012078115	0	45	0.0	-75.75	358.50	9.05	-66.70
O=C([O-])C1CCCC([NH2+]CC2=CN3C=CC(Br)=CC3=N2)CC1	REAL300012078116	0	42	0.0	-70.92	337.77	9.69	-61.23
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078117	0	50	0.0	-74.67	378.01	9.98	-64.69
COCC1=CC=CC=C1C=C(C)C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078118	0	53	0.0	-74.60	390.48	10.20	-64.40
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078119	0	49	0.0	-68.29	362.74	9.33	-58.96
O=C([O-])C1CCCC([NH2+]CC2=CON=C2CC2=CC=CC=C2)CC1	REAL300012078120	0	48	0.0	-79.50	362.67	10.16	-69.34
COC1=CC=C(N2C=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=N2)C=C1	REAL300012078121	0	50	0.0	-78.06	378.17	9.05	-69.01
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012078122	0	54	0.0	-69.05	411.49	11.97	-57.08
O=C([O-])C1CCCC([NH2+]CC2=CC3=CC(Cl)=CN=C3O2)CC1	REAL300012078123	0	41	0.0	-77.31	330.69	6.56	-70.75
O=C([O-])C1CCCC([NH2+]CC2=CC=NC=C2Br)CC1	REAL300012078124	0	38	0.0	-69.54	301.52	7.30	-62.24
CS(=O)(=O)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)S1	REAL300012078125	0	42	0.0	-80.80	342.91	5.22	-75.58
O=C([O-])C1CCCC([NH2+]CC2=C(C3=CC=CC=C3)N(C3CCCC3)N=C2)CC1	REAL300012078126	0	59	0.0	-66.55	432.99	12.50	-54.05
O=C([O-])C1CCCC([NH2+]CC2=CC=NN2C2=CC=CC=N2)CC1	REAL300012078127	0	45	0.0	-66.23	341.63	9.23	-57.00
NS(=O)(=O)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(F)=C1	REAL300012078128	0	44	0.0	-80.46	349.59	3.52	-76.94
CC1=C(Br)C=NC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078129	0	41	0.0	-74.53	318.30	7.88	-66.65
CN1N=CC(C(F)(F)F)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078130	0	42	0.0	-73.92	327.47	7.13	-66.79
CN1N=CC(C2CCC2)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078131	0	49	0.0	-75.05	356.92	8.69	-66.36
CC1=C2C=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)NC2=CC=C1	REAL300012078132	0	46	0.0	-74.70	342.67	9.12	-65.58
O=C([O-])C1CCCC([NH2+]CC2=CC=NN2C2=CC=NC=C2)CC1	REAL300012078133	0	45	0.0	-74.95	341.05	7.68	-67.27
CC1=CC=C2C=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)NC2=C1	REAL300012078134	0	46	0.0	-74.42	343.09	9.14	-65.28
COC1=CC=C(C2=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CC3=C2OCO3)C=N1	REAL300012078135	0	55	0.0	-81.96	425.77	7.65	-74.31
O=C([O-])C1CCCC([NH2+]CC2=CC=NN2C2CCOCC2)CC1	REAL300012078136	0	50	0.0	-77.98	365.11	7.18	-70.80
O=C([O-])C1CCCC([NH2+]CC2=C(OC3=CC=C(F)C=C3)N=C3C=CC=CN32)CC1	REAL300012078137	0	53	0.0	-76.61	408.85	11.67	-64.94
O=C([O-])C1CCCC([NH2+]CC2=CC3=C(C=CNC3=O)O2)CC1	REAL300012078138	0	42	0.0	-81.80	323.88	6.07	-75.73
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078139	0	48	0.0	-73.15	361.70	8.95	-64.20
O=C([O-])C1CCCC([NH2+]CC2=CN(CC3CCOC3)N=N2)CC1	REAL300012078140	0	49	0.0	-76.41	365.72	6.03	-70.38
CC1=CC(C)=C(C=CC[NH2+]C2CCCC(C(=O)[O-])CC2)C(C)=C1	REAL300012078141	0	52	0.0	-71.91	381.89	11.75	-60.16
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)CC1	REAL300012078142	0	59	0.0	-73.15	429.76	7.42	-65.73
CC(C)(C)OC(=O)NC(C[NH2+]C1CCCC(C(=O)[O-])CC1)CC(F)F	REAL300012078143	0	55	0.0	-79.26	398.47	7.42	-71.84
O=C([O-])C1CCCC([NH2+]CC2=CN(CC3CCCO3)N=N2)CC1	REAL300012078144	0	49	0.0	-73.26	364.48	6.14	-67.12
CN(C)C1=CC=C(F)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078145	0	47	0.0	-67.32	347.32	8.64	-58.68
O=C([O-])C1CCCC([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)CC1	REAL300012078146	0	44	0.0	-82.32	338.70	9.02	-73.30
CC1=CC(C)=C(C=CC[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1C	REAL300012078147	0	52	0.0	-73.58	378.21	11.61	-61.97
NS(=O)(=O)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012078148	0	44	0.0	-81.82	343.92	3.51	-78.31
O=C([O-])C1CCCC([NH2+]CC2=NC=CC3=C2CCCC3)CC1	REAL300012078149	0	48	0.0	-67.40	342.79	9.03	-58.37
CN1C=CC(C2=NC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CS2)=N1	REAL300012078150	0	45	0.0	-71.76	359.09	7.03	-64.73
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2CCCC2)=N1	REAL300012078151	0	52	0.0	-73.12	377.77	9.45	-63.67
CC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1Br	REAL300012078152	0	42	0.0	-65.59	323.91	9.67	-55.92
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)CC1	REAL300012078153	0	50	0.0	-76.67	387.95	11.54	-65.13
O=C([O-])C1CCCC([NH2+]CC2=CC=C3OCCCC3=C2)CC1	REAL300012078154	0	47	0.0	-73.72	344.99	9.21	-64.51
CN(C)C(=O)C1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078155	0	49	0.0	-84.25	364.06	8.47	-75.78
O=C([O-])C1CCCC([NH2+]CC2=C(C3CC3)NN=C2Cl)CC1	REAL300012078156	0	43	0.0	-70.02	339.20	7.61	-62.41
CC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C2CCCCC2=N1	REAL300012078157	0	51	0.0	-75.29	363.89	9.77	-65.52
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2N2CCCCC2)CC1	REAL300012078158	0	54	0.0	-65.00	383.40	10.60	-54.40
O=C([O-])C1CCCC([NH2+]CC2=CSC(C(F)(F)F)=N2)CC1	REAL300012078159	0	38	0.0	-72.07	315.12	6.67	-65.40
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C(F)F)C(F)=C2)CC1	REAL300012078160	0	42	0.0	-81.02	331.30	9.59	-71.43
COC(=O)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1C	REAL300012078161	0	48	0.0	-78.36	362.71	9.81	-68.55
CC1=C(Cl)C=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1Cl	REAL300012078162	0	42	0.0	-69.01	335.33	10.00	-59.01
N#CC1=CC=C(Br)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078163	0	40	0.0	-73.01	326.08	9.50	-63.51
CC1CC2=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CC=C2O1	REAL300012078164	0	47	0.0	-74.75	348.32	9.19	-65.56
O=C([O-])C1CCCC([NH2+]CC2=CC=CC3=C2OC(=O)N3)CC1	REAL300012078165	0	42	0.0	-76.60	321.59	6.03	-70.57
CSCC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012078166	0	46	0.0	-71.45	355.80	10.45	-61.00
O=C([O-])C1CCCC([NH2+]CC2=CN(CC3CCC3)N=C2)CC1	REAL300012078167	0	49	0.0	-74.81	363.54	9.33	-65.48
CN1N=C2CCOCC2=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078168	0	47	0.0	-76.46	347.25	6.24	-70.22
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078169	0	52	0.0	-67.65	391.88	10.10	-57.55
COC(=O)COC1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078170	0	49	0.0	-69.40	373.96	9.50	-59.90
CN1C=NC2=CC=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=C21	REAL300012078171	0	45	0.0	-75.00	324.16	9.56	-65.44
CN(C)C(=O)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012078172	0	49	0.0	-81.37	358.59	8.16	-73.21
CCNC(=O)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012078173	0	49	0.0	-80.09	367.64	7.68	-72.41
CC(C)(C)C1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078174	0	51	0.0	-62.26	343.81	10.88	-51.38
O=C([O-])C1CCCC([NH2+]CC2=CN=C3CCCCCN23)CC1	REAL300012078175	0	49	0.0	-73.95	345.56	8.95	-65.00
COC1=CC=C2SC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CC2=C1	REAL300012078176	0	46	0.0	-71.68	356.38	9.38	-62.30
CCN(CC)C(=O)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012078177	0	55	0.0	-79.31	402.02	10.32	-68.99
CCN1CCC2=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CC=C21	REAL300012078178	0	51	0.0	-71.71	369.12	9.16	-62.55
CCN(C)C(=O)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012078179	0	52	0.0	-80.01	383.82	9.44	-70.57
CSC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1Cl	REAL300012078180	0	43	0.0	-75.72	347.09	10.08	-65.64
CC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1C1CC1	REAL300012078181	0	49	0.0	-70.66	358.32	11.19	-59.47
CC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1C1CC1	REAL300012078182	0	49	0.0	-70.63	357.70	11.21	-59.42
CC1=NN(C2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C(C)=C2)C=C1	REAL300012078183	0	52	0.0	-77.35	384.95	10.93	-66.42
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)CC1	REAL300012078184	0	45	0.0	-76.01	360.88	10.44	-65.57
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078185	0	49	0.0	-76.63	380.17	10.85	-65.78
CCC1=CC(Br)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)S1	REAL300012078186	0	42	0.0	-64.56	342.87	9.76	-54.80
CC1=NN(C2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C2)C=C1Cl	REAL300012078187	0	49	0.0	-77.62	386.59	10.84	-66.78
COC(=O)C1=CC2=C(C=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)O2)N1	REAL300012078188	0	46	0.0	-79.22	359.86	7.38	-71.84
COCCOC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)O1	REAL300012078189	0	47	0.0	-73.03	358.71	7.31	-65.72
CC(C)(C[NH2+]C1CCCC(C(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300012078190	0	48	0.0	-72.68	361.23	10.96	-61.72
CC1=NN(C(C)C)C(C)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078191	0	51	0.0	-73.25	374.56	8.89	-64.36
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=CC(Br)=C2)CC1	REAL300012078192	0	39	0.0	-75.76	329.32	9.69	-66.07
CC1=CC=C(C2=CC=CC=C2C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C)=C1	REAL300012078193	0	55	0.0	-64.85	400.12	13.04	-51.81
COC1=CC=CC(C2=CSC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=N2)=C1	REAL300012078194	0	49	0.0	-74.55	383.85	8.64	-65.91
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012078195	0	59	0.0	-75.33	437.58	9.02	-66.31
COC(=O)C1=C2COCCN2C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078196	0	51	0.0	-83.40	384.75	7.94	-75.46
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)CC1	REAL300012078197	0	56	0.0	-81.80	405.12	10.53	-71.27
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078198	0	49	0.0	-78.39	360.81	11.44	-66.95
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C(F)(F)F)C(Cl)=C2Cl)CC1	REAL300012078199	0	42	0.0	-76.10	352.88	10.34	-65.76
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)CC1	REAL300012078200	0	43	0.0	-69.39	346.05	7.45	-61.94
O=C([O-])C1CCCC([NH2+]CC2=CN=C(C3CCOCC3)O2)CC1	REAL300012078201	0	49	0.0	-75.58	363.57	5.04	-70.54
O=C([O-])C1CCCC([NH2+]CC2=C(Cl)C=CC=C2Br)CC1	REAL300012078202	0	39	0.0	-60.97	321.96	9.44	-51.53
O=C([O-])C1CCCC([NH2+]CC2=CC=C(F)C(Br)=C2F)CC1	REAL300012078203	0	39	0.0	-76.41	321.71	9.21	-67.20
CC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C(C(C)(C)C)O1	REAL300012078204	0	51	0.0	-68.39	372.18	10.09	-58.30
O=C([O-])C1CCCC([NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)CC1	REAL300012078205	0	48	0.0	-75.38	369.44	8.93	-66.45
CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CCCC(C(=O)[O-])CC2)CC1	REAL300012078206	0	59	0.0	-78.25	415.58	9.64	-68.61
CC1=CC(Br)=CN=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078207	0	41	0.0	-69.39	323.70	7.93	-61.46
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)CC1	REAL300012078208	0	45	0.0	-77.23	365.76	6.54	-70.69
CC1OC2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C2C1C	REAL300012078209	0	50	0.0	-74.15	369.01	9.80	-64.35
CC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OC(F)F	REAL300012078210	0	46	0.0	-69.11	351.20	8.94	-60.17
CC1=NC(Cl)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1Br	REAL300012078211	0	41	0.0	-70.70	336.49	8.30	-62.40
CC(C)CC1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078212	0	51	0.0	-67.64	362.32	11.06	-56.58
CN1N=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1S(C)(=O)=O	REAL300012078213	0	45	0.0	-78.00	340.75	3.96	-74.04
CCOC1=CC(Br)=CC(F)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078214	0	46	0.0	-64.83	366.31	9.48	-55.35
CC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)NN=C1C(F)(F)F	REAL300012078215	0	42	0.0	-81.00	327.61	6.39	-74.61
O=C([O-])C1CCCC([NH2+]CC2=CC(C(F)(F)F)=NN2)CC1	REAL300012078216	0	39	0.0	-81.72	311.10	5.89	-75.83
CS(=O)(=O)C1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=CS1	REAL300012078217	0	42	0.0	-72.16	333.27	5.59	-66.57
CC1=C(Br)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C(C)S1	REAL300012078218	0	42	0.0	-64.47	337.33	9.45	-55.02
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2=CC=CC(F)=C2)=N1	REAL300012078219	0	49	0.0	-75.36	375.71	9.76	-65.60
O=C([O-])C1CCCC([NH2+]CC2=CC=C(CC3CC3)S2)CC1	REAL300012078220	0	46	0.0	-68.59	356.47	10.83	-57.76
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC3CC3)C=C2)CC1	REAL300012078221	0	47	0.0	-72.28	352.75	9.61	-62.67
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)CC1	REAL300012078222	0	43	0.0	-73.40	340.37	8.37	-65.03
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)CC1	REAL300012078223	0	45	0.0	-73.58	363.06	10.49	-63.09
CC1=NC=CN1C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C)=C1	REAL300012078224	0	52	0.0	-79.12	384.37	11.62	-67.50
CC1=C(C)N(C2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C2)C=N1	REAL300012078225	0	52	0.0	-80.10	387.41	12.17	-67.93
CNC(=O)C1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078226	0	46	0.0	-74.27	348.35	6.89	-67.38
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)CC1	REAL300012078227	0	53	0.0	-71.19	385.70	12.61	-58.58
CCNC(=O)C1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078229	0	49	0.0	-73.80	369.83	7.73	-66.07
CC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300012078230	0	45	0.0	-74.49	345.11	9.79	-64.70
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078231	0	49	0.0	-78.72	369.91	9.66	-69.06
CC(C)(C)C1=CN=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078232	0	50	0.0	-73.82	362.68	9.08	-64.74
O=C([O-])C1CCCC([NH2+]CC2=CC3=C(Br)C=CC=C3S2)CC1	REAL300012078233	0	42	0.0	-70.89	347.66	10.64	-60.25
O=C([O-])C1CCCC([NH2+]CC2=NN(CC(F)(F)F)C=C2)CC1	REAL300012078234	0	42	0.0	-72.73	333.54	7.65	-65.08
O=C([O-])C1CCCC([NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)CC1	REAL300012078235	0	49	0.0	-69.17	361.88	10.61	-58.56
CN1C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=NC2=C1CCCC2	REAL300012078236	0	49	0.0	-72.03	352.20	9.23	-62.80
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CC=CC(Br)=C2)CC1	REAL300012078237	0	46	0.0	-74.79	367.65	9.01	-65.78
COC1=NC(Cl)=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078238	0	42	0.0	-72.87	332.47	5.73	-67.14
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300012078239	0	42	0.0	-72.60	328.29	7.38	-65.22
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(C(F)F)=C2F)CC1	REAL300012078240	0	42	0.0	-72.24	325.28	9.43	-62.81
O=C([O-])C1CCCC([NH2+]CC2=CC=CC3=C2COCC3)CC1	REAL300012078241	0	47	0.0	-72.70	338.05	8.59	-64.11
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078242	0	52	0.0	-79.74	404.38	11.33	-68.41
CCOC1=CC=C(Cl)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078243	0	46	0.0	-66.69	356.50	9.35	-57.34
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CC=C(Br)C=C2)CC1	REAL300012078244	0	46	0.0	-72.42	367.30	9.02	-63.40
O=C([O-])C1CCCC([NH2+]CC2=NC3=C(COCC3)S2)CC1	REAL300012078245	0	43	0.0	-72.46	330.70	5.91	-66.55
O=C([O-])C1CCCC([NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)CC1	REAL300012078246	0	46	0.0	-75.85	352.76	8.46	-67.39
O=C([O-])C1CCCC([NH2+]CC2=C(Br)C=CC=C2OC(F)F)CC1	REAL300012078247	0	43	0.0	-64.73	345.42	8.68	-56.05
O=C([O-])C1CCCC([NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)CC1	REAL300012078248	0	41	0.0	-86.93	325.91	9.32	-77.61
O=C([O-])C1CCCC([NH2+]CC2=CN(C3CCCCC3)N=C2)CC1	REAL300012078249	0	52	0.0	-72.50	374.52	9.59	-62.91
O=C([O-])C1CCCC([NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)CC1	REAL300012078250	0	46	0.0	-71.77	363.73	10.02	-61.75
O=C([O-])C1CCCC([NH2+]CC2=C(F)C=C(Br)C=C2F)CC1	REAL300012078251	0	39	0.0	-66.59	321.34	9.22	-57.37
CN(CCO)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=N1	REAL300012078252	0	50	0.0	-73.93	369.39	6.10	-67.83
COC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=CC=C1C(C)(C)C	REAL300012078253	0	55	0.0	-65.90	383.22	10.26	-55.64
CN1C=C(Br)N=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078254	0	39	0.0	-74.05	313.49	7.47	-66.58
COC1=CC(C)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1O	REAL300012078255	0	47	0.0	-74.08	344.84	6.28	-67.80
O=C([O-])C1CCCC([NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)CC1	REAL300012078256	0	45	0.0	-76.27	346.59	7.66	-68.61
CN1C(=O)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC2=CC=CC=C21	REAL300012078257	0	48	0.0	-72.09	357.18	9.33	-62.76
CC1=CC(C)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C)=C1Br	REAL300012078258	0	48	0.0	-69.36	358.89	10.69	-58.67
O=C([O-])C1CCCC([NH2+]CC=CC2=CC=C3OCOC3=C2)CC1	REAL300012078259	0	46	0.0	-80.29	348.39	8.54	-71.75
O=C([O-])C1CCCC([NH2+]CC2=CC=C(CC3CCC3)C=C2)CC1	REAL300012078260	0	52	0.0	-68.63	380.80	12.08	-56.55
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012078261	0	49	0.0	-76.85	385.87	9.33	-67.52
O=C([O-])C1CCCC([NH2+]CC2=C(F)C=CC(Cl)=C2F)CC1	REAL300012078262	0	39	0.0	-66.12	316.21	9.10	-57.02
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078263	0	56	0.0	-66.97	413.96	8.86	-58.11
O=C([O-])C1CCCC([NH2+]CC2=CC=NN2C2CC2(F)F)CC1	REAL300012078264	0	43	0.0	-81.45	333.14	8.09	-73.36
CC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C(F)(F)F)=CO1	REAL300012078265	0	42	0.0	-69.06	329.50	8.34	-60.72
CC(F)(F)C1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078266	0	45	0.0	-71.72	345.09	10.14	-61.58
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)CC1	REAL300012078267	0	45	0.0	-76.43	352.74	9.31	-67.12
CN1C=C(C2=NNC=C2C[NH2+]C2CCCC(C(=O)[O-])CC2)C=N1	REAL300012078268	0	46	0.0	-73.23	350.27	6.22	-67.01
CCCN1N=C(C)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1Cl	REAL300012078269	0	48	0.0	-70.64	373.63	8.88	-61.76
CC(C)(C#N)C1=NC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)S1	REAL300012078270	0	45	0.0	-74.85	356.51	7.86	-66.99
COC1=CC=C(Br)C(F)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078271	0	43	0.0	-65.96	343.74	8.54	-57.42
N#CC1=CC(F)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(Br)=C1	REAL300012078272	0	40	0.0	-70.45	336.14	9.54	-60.91
O=C([O-])C1CCCC([NH2+]CC2=CC(F)=CC(F)=C2F)CC1	REAL300012078273	0	39	0.0	-74.23	307.73	8.71	-65.52
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CSC=C3)C=C2)CC1	REAL300012078274	0	46	0.0	-71.61	357.53	11.06	-60.55
O=C([O-])C1CCCC([NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)CC1	REAL300012078275	0	45	0.0	-73.60	346.86	11.15	-62.45
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Cl)C(Br)=C2F)CC1	REAL300012078276	0	39	0.0	-75.31	330.83	9.62	-65.69
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OC2CCCCC2)CC1	REAL300012078277	0	56	0.0	-64.63	399.40	11.36	-53.27
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CC1	REAL300012078278	0	50	0.0	-74.19	397.88	12.02	-62.17
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2COC2CCCCC2)CC1	REAL300012078279	0	59	0.0	-70.55	420.02	12.04	-58.51
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OCC2=CC=C(Cl)C=C2)CC1	REAL300012078280	0	53	0.0	-67.97	416.48	12.40	-55.57
COC1=CC=CC(OC2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C2)=C1	REAL300012078281	0	54	0.0	-78.34	410.65	10.80	-67.54
CCN1CCCC2=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=CC=C21	REAL300012078282	0	54	0.0	-71.51	380.17	9.71	-61.80
COCC1=CN=C(OC)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078283	0	49	0.0	-67.95	369.37	5.08	-62.87
CN1N=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1Br	REAL300012078284	0	39	0.0	-68.65	312.56	6.74	-61.91
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012078285	0	54	0.0	-74.62	409.01	11.34	-63.28
COC1=C(Br)C=CC(F)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078286	0	43	0.0	-65.14	344.58	8.62	-56.52
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)CC1	REAL300012078287	0	52	0.0	-75.73	399.05	13.22	-62.51
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(SC(F)(F)F)=C2)CC1	REAL300012078288	0	43	0.0	-75.74	347.69	10.04	-65.70
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OCC3=CC=C(Cl)C=C3)=C2)CC1	REAL300012078289	0	53	0.0	-72.71	419.29	12.39	-60.32
O=C([O-])C1CCCC([NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)CC1	REAL300012078290	0	52	0.0	-74.73	383.04	9.21	-65.52
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Br)C=C2OC(F)F)CC1	REAL300012078291	0	43	0.0	-74.35	348.97	8.81	-65.54
O=C([O-])C1CCCC([NH2+]CC2=CC=C3CCOCC3=C2)CC1	REAL300012078292	0	47	0.0	-71.90	345.67	8.72	-63.18
CC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)SC2=CC(F)=CC=C12	REAL300012078293	0	45	0.0	-72.93	350.54	10.64	-62.29
O=C([O-])C1CCCC([NH2+]CC2=CC(C3=CC=NC=C3)=NN2)CC1	REAL300012078294	0	45	0.0	-81.83	344.46	6.70	-75.13
COC1=CC=C(F)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1OC	REAL300012078295	0	47	0.0	-64.45	354.97	7.89	-56.56
COC1=CC(OC)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C2=NC(Cl)=CC=C12	REAL300012078296	0	52	0.0	-61.85	402.81	8.27	-53.58
CN1C=CC(C2=NNC=C2C[NH2+]C2CCCC(C(=O)[O-])CC2)=N1	REAL300012078297	0	46	0.0	-67.12	350.14	6.60	-60.52
CC1=CC=C(F)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1Br	REAL300012078298	0	42	0.0	-62.18	331.27	9.64	-52.54
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OCCC2CCCCC2)CC1	REAL300012078299	0	62	0.0	-65.19	441.65	12.84	-52.35
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(OCC3CCC3)=C2)CC1	REAL300012078300	0	53	0.0	-72.02	390.89	10.94	-61.08
CC(F)(F)C1=CC=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078301	0	45	0.0	-67.79	330.41	10.04	-57.75
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OCCO	REAL300012078302	0	51	0.0	-78.35	383.84	5.65	-72.70
CCN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300012078303	0	49	0.0	-74.49	367.56	9.44	-65.05
COC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1OCCO	REAL300012078304	0	51	0.0	-77.90	383.84	5.65	-72.25
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2=CC=NN2C)=N1	REAL300012078305	0	49	0.0	-74.45	375.45	7.44	-67.01
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC=C1OCC1CCCO1	REAL300012078306	0	58	0.0	-77.55	429.55	9.24	-68.31
CC1=CC2=CC=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=C2O1	REAL300012078307	0	45	0.0	-68.25	339.07	9.68	-58.57
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(F)=C2C(F)(F)F)CC1	REAL300012078308	0	42	0.0	-76.81	323.38	9.64	-67.17
O=C([O-])C1CCCC([NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)CC1	REAL300012078309	0	46	0.0	-65.57	364.32	9.33	-56.24
COC1=CSC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1OC	REAL300012078310	0	44	0.0	-68.47	342.21	6.59	-61.88
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CN=C(C(F)F)S3)C=C2)CC1	REAL300012078311	0	48	0.0	-76.44	387.01	10.30	-66.14
O=C([O-])C1CCCC([NH2+]CC2=C(Br)C=CC3=C2OCO3)CC1	REAL300012078312	0	42	0.0	-64.15	333.56	7.69	-56.46
CS(=O)(=O)C1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)SC=C1	REAL300012078313	0	42	0.0	-71.76	331.35	5.19	-66.57
CS(=O)(=O)C1=COC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078314	0	42	0.0	-81.19	333.29	4.15	-77.04
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C(F)(F)F)C=C2F)CC1	REAL300012078315	0	42	0.0	-74.32	333.13	9.58	-64.74
CC(C)OC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1F	REAL300012078316	0	49	0.0	-77.25	367.39	9.54	-67.71
O=C([O-])C1CCCC([NH2+]CC2=CC=C(F)C(Cl)=C2F)CC1	REAL300012078317	0	39	0.0	-76.33	317.44	9.11	-67.22
O=C([O-])C1CCCC([NH2+]CC2=C(F)C3=CC=CC=C3C=C2)CC1	REAL300012078318	0	45	0.0	-70.03	339.93	10.80	-59.23
CS(=O)(=O)C1=CSC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078319	0	42	0.0	-79.97	342.08	5.14	-74.83
CC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=NN1C1CCC1	REAL300012078320	0	49	0.0	-72.12	358.43	8.97	-63.15
O=C([O-])C1CCCC([NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)CC1	REAL300012078321	0	46	0.0	-75.74	365.41	10.27	-65.47
CC1=NN(C2CCCC2)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078322	0	52	0.0	-75.48	377.93	9.62	-65.86
O=C([O-])C1CCCC([NH2+]CC2=CC=NN2CC(F)F)CC1	REAL300012078323	0	42	0.0	-74.52	323.63	7.24	-67.28
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Br)C=C2OC2CC2)CC1	REAL300012078324	0	47	0.0	-68.41	370.31	10.18	-58.23
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078325	0	49	0.0	-74.51	369.14	9.24	-65.27
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)CC1	REAL300012078326	0	42	0.0	-75.86	330.92	10.01	-65.85
O=C([O-])C1CCCC([NH2+]CC2=C(F)C=CC(Br)=C2Cl)CC1	REAL300012078327	0	39	0.0	-64.41	328.16	9.54	-54.87
O=C([O-])C1CCCC([NH2+]CC2=C(F)C=CN=C2Cl)CC1	REAL300012078328	0	38	0.0	-67.80	305.64	7.18	-60.62
O=C([O-])C1CCCC([NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)CC1	REAL300012078329	0	46	0.0	-76.28	355.09	9.82	-66.46
CN(C)C1=CN=CC(F)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078330	0	46	0.0	-65.65	343.53	6.65	-59.00
COC1=NC(C)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C)=C1Cl	REAL300012078331	0	48	0.0	-75.75	364.28	6.77	-68.98
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078332	0	48	0.0	-75.96	366.19	8.90	-67.06
O=C([O-])C1CCCC([NH2+]CC2=NN(CC(F)F)C=C2)CC1	REAL300012078333	0	42	0.0	-71.87	328.66	7.44	-64.43
O=C([O-])C1CCCC([NH2+]CC2=NN(C3CC3(F)F)C=C2)CC1	REAL300012078334	0	43	0.0	-71.74	337.19	8.03	-63.71
CC1=NN(C2CCCCC2)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078335	0	55	0.0	-72.07	394.14	10.18	-61.89
O=C([O-])C1CCCC([NH2+]CC2=CN(C3CCOCC3)N=C2)CC1	REAL300012078336	0	50	0.0	-72.41	364.88	7.19	-65.22
CC1=NN(C2CCOCC2)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078337	0	53	0.0	-73.18	384.93	7.77	-65.41
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=CC3=CC=CN=C32)CC1	REAL300012078338	0	44	0.0	-65.88	350.90	9.66	-56.22
O=C([O-])C1CCCC([NH2+]CC2=NN(C3CCCC3)C=C2)CC1	REAL300012078339	0	49	0.0	-67.33	357.04	8.93	-58.40
NS(=O)(=O)C1=CSC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078340	0	41	0.0	-80.17	335.60	2.55	-77.62
O=C([O-])C1CCCC([NH2+]CC2=NC=C(Cl)C=C2Cl)CC1	REAL300012078341	0	38	0.0	-67.00	317.12	7.66	-59.34
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)CC1	REAL300012078342	0	54	0.0	-81.88	395.15	8.04	-73.84
CC1=NN(C2CCCC2)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078343	0	52	0.0	-72.01	375.17	9.57	-62.44
CC1=CC(Br)=C(F)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078344	0	42	0.0	-68.69	335.99	9.87	-58.82
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Br)C(Cl)=C2F)CC1	REAL300012078345	0	39	0.0	-75.28	330.98	9.63	-65.65
COC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1Br	REAL300012078346	0	43	0.0	-68.04	334.30	8.45	-59.59
O=C([O-])C1CCCC([NH2+]CC2=CC=C(Cl)C(F)=C2F)CC1	REAL300012078347	0	39	0.0	-76.66	317.88	9.12	-67.54
CN1C=C(C2=CC=CC(C[NH2+]C3CCCC(C(=O)[O-])CC3)=C2)C=N1	REAL300012078348	0	49	0.0	-74.31	372.09	9.92	-64.39
COC1=CC(F)=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1Br	REAL300012078349	0	43	0.0	-71.32	345.30	8.52	-62.80
O=C([O-])C1CCCC([NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)CC1	REAL300012078350	0	49	0.0	-90.39	378.44	11.02	-79.37
CC1=CC=C(Br)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078351	0	42	0.0	-70.71	325.97	9.77	-60.94
COC1=C(C#N)C=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078352	0	44	0.0	-77.72	339.17	8.37	-69.35
COC1=NC2=CC=C(C[NH2+]C3CCCC(C(=O)[O-])CC3)C=C2S1	REAL300012078353	0	45	0.0	-79.75	355.70	6.40	-73.35
O=C([O-])C1CCCC([NH2+]CC2=CC=NC(Br)=C2)CC1	REAL300012078354	0	38	0.0	-77.16	308.22	7.36	-69.80
O=C([O-])C1CCCC([NH2+]CC2=CC(F)=CC(Cl)=C2Cl)CC1	REAL300012078355	0	39	0.0	-71.25	323.74	9.53	-61.72
CC(C)(C)COC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078356	0	55	0.0	-68.89	403.66	10.95	-57.94
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=CC(Cl)=C2F)CC1	REAL300012078357	0	39	0.0	-72.36	332.51	9.69	-62.67
COC1=CC(Cl)=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078358	0	43	0.0	-74.04	337.52	8.39	-65.65
O=C([O-])C1CCCC([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)CC1	REAL300012078359	0	42	0.0	-77.48	341.42	9.88	-67.60
COC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CC(F)=C1F	REAL300012078360	0	43	0.0	-83.54	333.31	8.01	-75.53
CN1N=CC=C1C1=NNC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078361	0	46	0.0	-75.24	352.49	6.13	-69.11
COC(=O)C1=C(C)NC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1C	REAL300012078362	0	49	0.0	-78.99	372.50	8.28	-70.71
CC1=CC(Br)=CC(C)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078363	0	45	0.0	-71.05	344.00	10.23	-60.82
O=C([O-])C1CCCC([NH2+]CC2=C(O)C=CC(F)=C2Br)CC1	REAL300012078364	0	40	0.0	-70.33	322.88	6.29	-64.04
O=C([O-])C1CCCC([NH2+]CC2=C(Cl)C=CC3=C2OCO3)CC1	REAL300012078365	0	42	0.0	-64.79	329.54	7.61	-57.18
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3CCCCC3)C=C2)CC1	REAL300012078366	0	55	0.0	-68.78	391.53	12.37	-56.41
COC1=CC=CC=C1C=CC[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078367	0	47	0.0	-73.84	350.70	9.24	-64.60
CC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)SC(Br)=C1	REAL300012078368	0	39	0.0	-70.73	320.24	8.95	-61.78
CC1=NN(C2CCC2)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078369	0	49	0.0	-72.35	357.21	8.93	-63.42
CC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=NN1CC(F)F	REAL300012078370	0	45	0.0	-72.03	341.73	7.90	-64.13
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)CC1	REAL300012078371	0	47	0.0	-78.83	360.47	8.93	-69.90
CCCN1N=C(C)C(Cl)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078372	0	48	0.0	-72.46	372.22	8.80	-63.66
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078373	0	51	0.0	-74.47	389.42	10.68	-63.79
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078374	0	46	0.0	-79.43	352.78	7.80	-71.63
O=C([O-])C1CCCC([NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)CC1	REAL300012078375	0	52	0.0	-70.53	392.48	13.02	-57.51
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=CC(Cl)=C2Br)CC1	REAL300012078376	0	39	0.0	-69.70	337.31	10.05	-59.65
CCCCC(=O)NC1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012078377	0	55	0.0	-75.52	409.41	9.81	-65.71
CCN(C)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C)=C1	REAL300012078378	0	53	0.0	-67.43	377.91	10.50	-56.93
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=CN=C2Br)CC1	REAL300012078379	0	38	0.0	-70.40	317.11	7.72	-62.68
O=C([O-])C1CCCC([NH2+]CC2=C(Cl)C(Cl)=CS2)CC1	REAL300012078380	0	36	0.0	-68.83	311.29	8.56	-60.27
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078381	0	60	0.0	-69.86	420.87	10.66	-59.20
COC1=CC(C)=CC(OC)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078382	0	50	0.0	-61.28	367.40	7.93	-53.35
O=C([O-])C1CCCC([NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)CC1	REAL300012078383	0	43	0.0	-77.54	353.90	8.96	-68.58
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)CC1	REAL300012078384	0	49	0.0	-75.98	380.45	11.44	-64.54
O=C([O-])C1CCCC([NH2+]CC2=CC=C3SC=CC3=C2)CC1	REAL300012078385	0	42	0.0	-75.26	328.21	9.95	-65.31
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)CC1	REAL300012078386	0	48	0.0	-75.42	359.09	10.22	-65.20
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078387	0	61	0.0	-71.70	450.71	13.52	-58.18
CC1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1C(F)(F)F	REAL300012078388	0	45	0.0	-71.09	334.28	10.14	-60.95
O=C([O-])C1CCCC([NH2+]CC2=CC=C(C(F)(F)F)C=C2Br)CC1	REAL300012078389	0	42	0.0	-71.60	344.01	10.11	-61.49
CCC(C)C1=CC=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=C1	REAL300012078390	0	51	0.0	-68.79	368.35	11.15	-57.64
O=C([O-])C1CCCC([NH2+]CC2=CC3=NC=C(Br)C=C3O2)CC1	REAL300012078391	0	41	0.0	-77.67	335.22	7.89	-69.78
O=C([O-])C1CCCC([NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)CC1	REAL300012078392	0	44	0.0	-74.19	355.59	8.88	-65.31
O=C([O-])C1CCCC([NH2+]CC2=CC3=C(CCOC3)N=C2Cl)CC1	REAL300012078393	0	46	0.0	-73.09	350.72	7.19	-65.90
O=C([O-])C1CCCC([NH2+]CC2=CC3=CC(Br)=CC=C3S2)CC1	REAL300012078394	0	42	0.0	-71.77	348.10	10.70	-61.07
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078395	0	52	0.0	-71.54	390.72	11.11	-60.43
CC(F)(F)C1=CC=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=N1	REAL300012078396	0	44	0.0	-72.63	338.58	8.51	-64.12
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=CC(F)=C2F)CC1	REAL300012078397	0	39	0.0	-73.29	322.62	9.26	-64.03
O=C([O-])C1CCCC([NH2+]CC2=CC(Cl)=C(Br)C=C2F)CC1	REAL300012078398	0	39	0.0	-72.92	331.52	9.63	-63.29
O=C([O-])C1CCCC([NH2+]CC2=CC=CC3=C2CCCC3)CC1	REAL300012078399	0	49	0.0	-68.33	344.86	10.91	-57.42
O=C([O-])C1CCCC([NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)CC1	REAL300012078400	0	41	0.0	-85.51	340.80	9.86	-75.65
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078401	0	46	0.0	-74.86	352.88	10.54	-64.32
COC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=CC(Br)=C1F	REAL300012078402	0	43	0.0	-75.12	346.22	8.59	-66.53
O=C([O-])C1CCCC([NH2+]CC2=CC=CC(C(F)(F)F)=C2F)CC1	REAL300012078403	0	42	0.0	-75.30	332.95	9.58	-65.72
O=C([O-])C1CCCC([NH2+]CC2=CC=C(N3C=CN=N3)C=C2)CC1	REAL300012078404	0	45	0.0	-83.14	344.33	8.54	-74.60
CC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C=CC2=CC=CC=C21	REAL300012078405	0	48	0.0	-70.93	346.59	11.27	-59.66
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078406	0	57	0.0	-71.68	415.00	10.18	-61.50
O=C([O-])C1CCCC([NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)CC1	REAL300012078407	0	45	0.0	-74.37	354.00	11.32	-63.05
COC1=C2C=CNC2=CC=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078408	0	47	0.0	-68.25	350.32	7.96	-60.29
O=C([O-])C1CCCC([NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)CC1	REAL300012078409	0	52	0.0	-72.17	378.69	5.69	-66.48
COC1=CC=C(OC)C(OC)=C1C[NH2+]C1CCCC(C(=O)[O-])CC1	REAL300012078410	0	51	0.0	-63.68	377.81	7.20	-56.48
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)CC1	REAL300012078411	0	56	0.0	-66.15	401.14	10.42	-55.73
O=C([O-])C1CCCC([NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)CC1	REAL300012078412	0	53	0.0	-68.39	402.86	12.03	-56.36
CC1=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300012078413	0	47	0.0	-64.42	345.37	9.63	-54.79
CC1=CC(C[NH2+]C2CCCC(C(=O)[O-])CC2)=CN=C1N1C=CC=N1	REAL300012078414	0	48	0.0	-81.02	363.41	9.92	-71.10
COC(=O)C1=CN(C)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1	REAL300012078415	0	46	0.0	-79.32	351.75	8.66	-70.66
COC1=CC=C(Br)C(C[NH2+]C2CCCC(C(=O)[O-])CC2)=C1O	REAL300012078416	0	44	0.0	-67.09	346.40	6.22	-60.87
CN1C=C(C[NH2+]C2CCCC(C(=O)[O-])CC2)C(C2CCC2)=N1	REAL300012078417	0	49	0.0	-72.97	360.68	8.97	-64.00
CC(C)(C)C[NH2+]C(CC1=C(Br)SC(Br)=C1)C(=O)[O-]	REAL300012078418	0	35	0.0	-22.02	310.68	9.33	-12.69
CC1(C[NH2+]C(CC2=C(Br)SC(Br)=C2)C(=O)[O-])CC1	REAL300012078419	0	33	0.0	-22.97	304.20	9.56	-13.41
CC1=CC=C(N2C=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C(C(C)(C)C)=N2)C=C1	REAL300012078420	0	59	0.0	-68.59	441.40	11.06	-57.53
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC=CN=C3C=C2)C1	REAL300012078421	0	42	0.0	-73.10	337.29	7.18	-65.92
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OCC1=CC=CC=C1	REAL300012078422	0	55	0.0	-73.83	436.68	9.99	-63.84
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078423	0	47	0.0	-70.15	395.91	8.87	-61.28
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CC=C2)C1	REAL300012078424	0	54	0.0	-72.77	431.35	11.39	-61.38
CC(C)(C)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078425	0	49	0.0	-65.14	372.37	9.14	-56.00
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2C2=CC=CC=C2)C1	REAL300012078426	0	44	0.0	-70.59	352.57	6.67	-63.92
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Br)O2)C1	REAL300012078427	0	34	0.0	-70.04	298.62	5.69	-64.35
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=C2)C=C1	REAL300012078428	0	55	0.0	-78.12	437.64	8.13	-69.99
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078429	0	47	0.0	-71.81	374.65	8.62	-63.19
N#CCCN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2=CC=CC=C2)=N1	REAL300012078430	0	51	0.0	-72.81	417.85	9.33	-63.48
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OC(F)F	REAL300012078431	0	45	0.0	-73.16	364.68	6.29	-66.87
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CN=C2)C1	REAL300012078432	0	53	0.0	-73.74	426.04	9.61	-64.13
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=C(Br)C=C3)O2)C1	REAL300012078433	0	44	0.0	-70.40	377.71	9.33	-61.07
CCCOC1=CC=C(Br)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078434	0	47	0.0	-62.83	388.96	8.53	-54.30
CCOC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OC	REAL300012078435	0	48	0.0	-72.29	376.77	6.93	-65.36
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)C1	REAL300012078436	0	51	0.0	-60.36	406.07	10.18	-50.18
CCCCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078437	0	53	0.0	-68.25	412.02	9.40	-58.85
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)C1	REAL300012078438	0	46	0.0	-77.30	384.62	9.38	-67.92
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)C1	REAL300012078439	0	46	0.0	-76.93	384.60	9.37	-67.56
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1Br	REAL300012078440	0	41	0.0	-72.27	346.10	6.78	-65.49
CC(C)OC1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078441	0	47	0.0	-59.90	364.10	7.74	-52.16
CCCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012078442	0	54	0.0	-71.58	419.77	8.51	-63.07
CCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012078443	0	51	0.0	-72.07	398.27	7.73	-64.34
C=CCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012078444	0	49	0.0	-72.60	389.68	7.52	-65.08
CCCCCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012078445	0	60	0.0	-71.37	462.77	10.08	-61.29
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)C1	REAL300012078446	0	44	0.0	-70.30	373.14	9.22	-61.08
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)C1	REAL300012078447	0	44	0.0	-69.29	373.28	9.26	-60.03
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC(Br)=C3)O2)C1	REAL300012078448	0	44	0.0	-69.77	377.71	9.33	-60.44
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)C1	REAL300012078449	0	44	0.0	-68.99	380.74	10.11	-58.88
O=C([O-])CC1COC(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300012078450	0	47	0.0	-71.53	380.41	8.48	-63.05
CCC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C2=CC=CC=C2O1	REAL300012078451	0	46	0.0	-67.81	361.29	8.78	-59.03
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)C1	REAL300012078452	0	46	0.0	-74.64	380.52	9.99	-64.65
O=C([O-])CC1COC(C[NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300012078453	0	43	0.0	-69.00	367.43	7.67	-61.33
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OC(F)(F)F)C1	REAL300012078454	0	41	0.0	-63.17	340.81	6.68	-56.49
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(SC(F)(F)F)C=C2)C1	REAL300012078455	0	41	0.0	-71.35	352.57	8.28	-63.07
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C([N+](=O)[O-])C=C1O	REAL300012078456	0	44	0.0	-68.51	356.13	4.52	-63.99
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(Cl)=C1	REAL300012078457	0	41	0.0	-63.20	338.36	6.55	-56.65
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300012078458	0	41	0.0	-71.13	342.17	6.61	-64.52
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)S2)C1	REAL300012078459	0	46	0.0	-75.51	392.20	10.26	-65.25
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)C1	REAL300012078460	0	46	0.0	-73.90	392.73	10.32	-63.58
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C1	REAL300012078461	0	44	0.0	-74.22	358.97	6.74	-67.48
CC1=CC=C(C2=NNC=C2C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078462	0	47	0.0	-70.51	374.02	7.34	-63.17
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2C2=CC=CS2)C1	REAL300012078463	0	41	0.0	-65.06	339.91	5.96	-59.10
COC1=CC=C(C2=NNC=C2C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078464	0	48	0.0	-73.02	382.00	5.96	-67.06
O=C([O-])CC1COC(C[NH2+]CC2=CSC3=CC=CC=C23)C1	REAL300012078465	0	40	0.0	-68.69	333.07	8.19	-60.50
CCOC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C)=NN1CC(C)C	REAL300012078466	0	56	0.0	-65.09	433.10	7.38	-57.71
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC=CC=C3OC2)C1	REAL300012078467	0	43	0.0	-70.13	342.22	7.31	-62.82
CC1=CC=C(C2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)O2)C=C1	REAL300012078468	0	47	0.0	-69.24	377.82	9.38	-59.86
CC1=CC=C(C2=NNC=C2C[NH2+]CC2CC(CC(=O)[O-])CO2)O1	REAL300012078469	0	44	0.0	-65.73	357.24	5.93	-59.80
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2C2=CC=CN=C2)C1	REAL300012078470	0	43	0.0	-72.00	347.49	4.87	-67.13
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)C1	REAL300012078471	0	50	0.0	-71.70	396.69	5.82	-65.88
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OCC3CCCO3)C=C2)C1	REAL300012078472	0	52	0.0	-70.24	404.49	7.42	-62.82
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)C1	REAL300012078473	0	44	0.0	-69.55	370.42	9.66	-59.89
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC3=CC=CN=C32)C1	REAL300012078474	0	42	0.0	-60.49	336.00	7.33	-53.16
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)C1	REAL300012078475	0	50	0.0	-66.02	398.85	8.47	-57.55
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078476	0	46	0.0	-71.15	367.04	5.81	-65.34
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300012078477	0	44	0.0	-73.38	354.53	8.02	-65.36
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C1	REAL300012078478	0	43	0.0	-78.74	350.11	9.43	-69.31
CC(C)N1N=CC2=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=C(Cl)N=C21	REAL300012078479	0	48	0.0	-75.72	395.04	7.91	-67.81
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)C1	REAL300012078480	0	44	0.0	-67.62	380.94	10.12	-57.50
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OCC1=CC=NC=C1	REAL300012078481	0	54	0.0	-75.85	431.57	8.22	-67.63
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)C1	REAL300012078482	0	44	0.0	-68.42	373.38	9.77	-58.65
O=C([O-])CC1COC(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)C1	REAL300012078483	0	40	0.0	-66.85	347.08	8.31	-58.54
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(F)C=C2Cl)C1	REAL300012078484	0	37	0.0	-70.24	315.95	7.40	-62.84
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(F)C(Cl)=C2)C1	REAL300012078485	0	37	0.0	-74.61	318.77	7.37	-67.24
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)C1	REAL300012078486	0	40	0.0	-77.75	340.49	7.87	-69.88
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CC=C2Cl)C1	REAL300012078487	0	37	0.0	-63.01	325.60	7.77	-55.24
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(F)C=C2C(F)(F)F)C1	REAL300012078488	0	40	0.0	-69.84	331.13	7.94	-61.90
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=C(F)C(F)=C2)C1	REAL300012078489	0	37	0.0	-79.34	315.18	7.00	-72.34
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300012078490	0	40	0.0	-74.28	341.31	7.88	-66.40
O=C([O-])CC1COC(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2F)C1	REAL300012078491	0	40	0.0	-68.13	339.74	7.87	-60.26
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(Cl)=C1OC	REAL300012078492	0	45	0.0	-66.27	370.77	6.60	-59.67
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC=CC=C3S2)C1	REAL300012078493	0	40	0.0	-68.11	334.24	8.43	-59.68
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Cl)C(F)=C2)C1	REAL300012078494	0	37	0.0	-74.71	318.77	7.38	-67.33
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078495	0	53	0.0	-69.34	431.44	10.10	-59.24
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CC=C2OC(F)F)C1	REAL300012078496	0	41	0.0	-68.20	350.80	6.97	-61.23
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C1	REAL300012078497	0	44	0.0	-69.44	380.75	10.10	-59.34
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=C2)=C1	REAL300012078498	0	52	0.0	-70.73	428.31	10.49	-60.24
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)C1	REAL300012078499	0	47	0.0	-69.22	378.58	5.32	-63.90
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OCC(F)(F)F	REAL300012078500	0	48	0.0	-75.95	396.35	7.40	-68.55
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C1	REAL300012078501	0	50	0.0	-71.39	402.32	8.32	-63.07
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=C3OCCOC3=C2)C1	REAL300012078502	0	43	0.0	-72.72	361.02	6.63	-66.09
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(N3C=CC(C(F)(F)F)=N3)C=C2)C1	REAL300012078503	0	47	0.0	-78.90	396.34	9.07	-69.83
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078504	0	46	0.0	-65.09	376.26	6.76	-58.33
COCCOC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078505	0	48	0.0	-67.40	381.16	6.31	-61.09
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1Cl	REAL300012078506	0	41	0.0	-72.36	341.71	6.67	-65.69
O=C([O-])CC1COC(C[NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C1	REAL300012078507	0	42	0.0	-71.07	356.43	5.74	-65.33
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078508	0	49	0.0	-73.64	377.56	8.39	-65.25
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=N1	REAL300012078509	0	53	0.0	-77.32	414.29	6.74	-70.58
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C1	REAL300012078510	0	44	0.0	-68.43	367.10	7.50	-60.93
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC3=C2OCCO3)C1	REAL300012078511	0	43	0.0	-64.26	339.07	6.03	-58.23
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC3=C2OCCCO3)C1	REAL300012078512	0	46	0.0	-66.26	356.00	6.83	-59.43
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078513	0	49	0.0	-68.44	382.00	8.88	-59.56
CCCOC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078514	0	47	0.0	-65.99	369.03	7.84	-58.15
O=C([O-])CC1COC(C[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C1	REAL300012078515	0	44	0.0	-68.07	362.22	9.40	-58.67
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OC3CCCC3)=C2)C1	REAL300012078516	0	51	0.0	-65.75	390.90	9.03	-56.72
CC(C)OC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078517	0	47	0.0	-65.78	365.45	7.66	-58.12
CN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012078518	0	50	0.0	-65.49	405.05	8.84	-56.65
CC1=CC=C(C2=NC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CS2)C=C1	REAL300012078519	0	46	0.0	-66.10	383.10	8.35	-57.75
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C1	REAL300012078520	0	51	0.0	-68.74	411.16	10.26	-58.48
O=C([O-])CC1COC(C[NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)C1	REAL300012078521	1	47	0.0	-69.67	392.60	7.13	-62.54
O=C([O-])CC1COC(C[NH2+]CC2=CSC(COC3=CC=C(Cl)C=C3)=N2)C1	REAL300012078522	1	47	0.0	-69.88	409.33	7.64	-62.24
CC1=CC=C(OCC2=NC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CS2)C=C1	REAL300012078523	1	50	0.0	-69.57	414.01	7.80	-61.77
COC1=CC=C(OCC2=NC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CS2)C=C1	REAL300012078524	1	51	0.0	-70.99	422.10	6.42	-64.57
CC(C)(C)C1=NC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CS1	REAL300012078525	0	45	0.0	-64.99	362.88	6.36	-58.63
O=C([O-])CC1COC(C[NH2+]CC2=CSC(C3=CSC=C3)=N2)C1	REAL300012078526	0	40	0.0	-67.42	352.05	6.54	-60.88
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C1	REAL300012078527	0	44	0.0	-70.48	370.43	9.67	-60.81
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078528	0	51	0.0	-62.34	403.26	7.70	-54.64
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OC2CCCC2)C1	REAL300012078529	0	51	0.0	-60.34	389.88	9.09	-51.25
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078530	0	54	0.0	-67.72	428.32	7.74	-59.98
CC1=CC=C(C2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)S2)C=C1	REAL300012078531	0	47	0.0	-68.01	385.42	10.27	-57.74
O=C([O-])CC1COC(C[NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C1	REAL300012078532	0	43	0.0	-76.79	362.28	7.12	-69.67
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078533	0	41	0.0	-70.66	359.17	7.32	-63.34
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=CC=C2Cl)C1	REAL300012078534	0	37	0.0	-63.02	330.17	7.87	-55.15
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CC=C2Br)C1	REAL300012078535	0	37	0.0	-62.38	329.19	7.88	-54.50
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)C1	REAL300012078536	0	48	0.0	-69.86	397.69	9.81	-60.05
CCOC1=C(OC)C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012078537	0	52	0.0	-75.93	409.93	6.87	-69.06
COCCCOC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078538	0	51	0.0	-67.57	402.70	6.91	-60.66
COC1=CC=C(OC(F)F)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078539	0	45	0.0	-67.20	363.53	5.73	-61.47
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(Br)=C2OC(F)F)C1	REAL300012078540	0	41	0.0	-65.80	351.95	7.06	-58.74
O=C([O-])CC1COC(C[NH2+]CC2=C(Cl)C=CC=C2OC(F)F)C1	REAL300012078541	0	41	0.0	-63.21	348.14	6.86	-56.35
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OCCCC3=CC=CC=C3)=C2)C1	REAL300012078542	0	57	0.0	-67.48	450.43	11.65	-55.83
CC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OC1=CC=CN=C1	REAL300012078543	0	50	0.0	-70.79	401.47	8.69	-62.10
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OCC(=O)NCC2CC2)C1	REAL300012078544	0	55	0.0	-62.12	437.86	8.10	-54.02
CC1=CC=C(C2=NC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)S2)C=C1	REAL300012078545	0	46	0.0	-69.34	382.60	8.52	-60.82
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C1	REAL300012078546	0	42	0.0	-65.34	353.35	7.93	-57.41
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)C1	REAL300012078547	0	42	0.0	-64.41	341.61	7.37	-57.04
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)C1	REAL300012078548	0	42	0.0	-66.43	343.07	7.48	-58.95
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C1	REAL300012078549	0	42	0.0	-63.63	350.45	7.77	-55.86
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)C1	REAL300012078550	0	44	0.0	-70.65	370.91	8.87	-61.78
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)O1	REAL300012078551	0	47	0.0	-70.62	383.32	9.45	-61.17
CCC1=CC=C(C2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)O2)C=C1	REAL300012078552	0	50	0.0	-69.09	399.30	10.14	-58.95
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(OC(F)F)=C1	REAL300012078553	0	45	0.0	-69.18	363.54	5.75	-63.43
COC1=CC=C2OC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CC2=C1	REAL300012078554	0	44	0.0	-72.01	353.53	6.62	-65.39
O=C([O-])CC1COC(C[NH2+]CC=CC2=CC=C(Cl)C=C2)C1	REAL300012078555	0	41	0.0	-70.39	344.58	8.73	-61.66
CC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C2=CC=CC=C2O1	REAL300012078556	0	43	0.0	-68.58	343.59	7.93	-60.65
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C1	REAL300012078557	0	45	0.0	-71.79	362.93	8.57	-63.22
CC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1Br	REAL300012078558	0	40	0.0	-67.39	335.67	8.00	-59.39
O=C([O-])CC1COC(C[NH2+]CC=CC2=CC=C(F)C=C2F)C1	REAL300012078559	0	41	0.0	-69.95	339.13	8.22	-61.73
CC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1Br	REAL300012078560	0	40	0.0	-69.63	335.67	8.00	-61.63
O=C([O-])CC1COC(C[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C1	REAL300012078561	0	44	0.0	-69.17	355.06	7.94	-61.23
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CC3=C2OCC3)C1	REAL300012078562	0	42	0.0	-63.60	348.66	7.17	-56.43
O=C([O-])CC1COC(C[NH2+]CC2=CC3=C(F)C=CC=C3N2)C1	REAL300012078563	0	41	0.0	-72.07	334.56	6.83	-65.24
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC=C(F)C=C3N2)C1	REAL300012078564	0	41	0.0	-73.66	334.47	6.83	-66.83
CC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC2=CC=CN=C12	REAL300012078565	0	45	0.0	-72.74	357.41	8.01	-64.73
O=C([O-])CC1COC(C[NH2+]CC2=CN=C3C=CSC3=C2)C1	REAL300012078566	0	39	0.0	-72.94	328.05	6.29	-66.65
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)O2)C=C1	REAL300012078567	0	56	0.0	-68.77	432.53	11.02	-57.75
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078568	0	57	0.0	-60.13	422.87	10.17	-49.96
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078569	0	57	0.0	-63.91	438.61	9.94	-53.97
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=C2C)=C1	REAL300012078570	0	60	0.0	-70.01	472.94	12.38	-57.63
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1C	REAL300012078571	0	60	0.0	-70.03	467.71	12.41	-57.62
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078572	0	55	0.0	-70.20	431.66	11.68	-58.52
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078573	0	53	0.0	-71.75	430.74	9.78	-61.97
CCN(CC)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1F	REAL300012078574	0	51	0.0	-71.97	395.45	7.87	-64.10
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C(SC)C=C1OC	REAL300012078575	0	49	0.0	-65.45	390.47	6.95	-58.50
COC1=CC=C2N=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)SC2=C1	REAL300012078576	0	43	0.0	-68.69	357.83	5.63	-63.06
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078577	0	43	0.0	-75.36	360.16	7.69	-67.67
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1C#N	REAL300012078578	0	42	0.0	-80.53	345.89	6.53	-74.00
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(SC(F)F)C=C2)C1	REAL300012078579	0	41	0.0	-70.43	345.99	8.08	-62.35
CC1=CC(Cl)=CC(C)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078580	0	43	0.0	-68.15	346.07	8.39	-59.76
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C1	REAL300012078581	0	41	0.0	-74.72	341.66	6.46	-68.26
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078582	0	43	0.0	-71.10	350.07	8.45	-62.65
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC(Cl)=C1OC	REAL300012078583	0	45	0.0	-74.13	374.88	6.65	-67.48
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=CC=C2OC(F)F)C1	REAL300012078584	0	41	0.0	-68.16	355.37	7.08	-61.08
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078585	0	53	0.0	-65.61	436.41	9.97	-55.64
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OCC(C)C	REAL300012078586	0	54	0.0	-71.66	418.38	8.41	-63.25
CCCOC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OC	REAL300012078587	0	51	0.0	-72.07	398.27	7.73	-64.34
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Br)S2)C1	REAL300012078588	0	34	0.0	-69.06	308.07	6.65	-62.41
CCOC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC(Cl)=C1OC	REAL300012078589	0	48	0.0	-75.59	396.74	7.57	-68.02
C=CCOC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078590	0	45	0.0	-66.26	360.43	7.63	-58.63
COC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1OC(C)C	REAL300012078591	0	51	0.0	-63.24	387.94	8.03	-55.21
CCOC1=C(Cl)C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012078592	0	48	0.0	-75.44	396.73	7.60	-67.84
CCCOC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=CC=C1OCC	REAL300012078593	0	54	0.0	-63.48	421.24	8.81	-54.67
CCCCOC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OC	REAL300012078594	0	54	0.0	-72.02	419.77	8.51	-63.51
CCCOC1=C(Cl)C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OCC	REAL300012078595	0	54	0.0	-75.36	440.09	9.33	-66.03
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078596	0	53	0.0	-66.46	431.23	10.42	-56.04
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC(F)F	REAL300012078597	0	45	0.0	-71.71	364.68	6.30	-65.41
CCOC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OC(F)F	REAL300012078598	0	48	0.0	-73.02	386.53	7.21	-65.81
CC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC(C)=C1OC(F)F	REAL300012078599	0	47	0.0	-70.57	374.72	7.87	-62.70
CCOC1=CC2=C(C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1)OC(C)C2	REAL300012078600	0	52	0.0	-62.72	403.04	7.70	-55.02
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC2=C1OCCO2	REAL300012078601	0	47	0.0	-73.54	369.87	5.84	-67.70
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1	REAL300012078602	0	46	0.0	-76.01	390.66	8.24	-67.77
CCCCN1N=C(C)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1Cl	REAL300012078603	0	49	0.0	-64.72	399.14	7.86	-56.86
CCOC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1OC(F)F	REAL300012078604	0	48	0.0	-65.37	384.63	7.44	-57.93
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OCC(=O)N2CCCC2)C1	REAL300012078605	0	55	0.0	-62.00	430.41	8.98	-53.02
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C1	REAL300012078606	0	44	0.0	-68.00	364.02	9.59	-58.41
CCCOC1=C(Cl)C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012078607	0	51	0.0	-75.31	418.23	8.41	-66.90
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078608	0	59	0.0	-67.76	447.73	10.88	-56.88
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)C1	REAL300012078609	0	44	0.0	-73.29	371.13	8.89	-64.40
CN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2CCCCC2)=N1	REAL300012078610	0	53	0.0	-69.80	403.03	8.36	-61.44
CC(CCC1=CC=CC=C1)C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078611	0	49	0.0	-66.05	375.84	9.77	-56.28
CC1(C)CCC2=C(C1)SC(C[NH2+]CC1CC(CC(=O)[O-])CO1)=N2	REAL300012078612	0	49	0.0	-63.63	380.41	7.47	-56.16
CCC1=CC=CC(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078613	0	43	0.0	-62.93	345.70	8.45	-54.48
CC1=C(C)C=C2OC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CC2=C1	REAL300012078614	0	46	0.0	-70.45	362.36	8.54	-61.91
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)C1	REAL300012078615	0	44	0.0	-73.27	369.28	7.19	-66.08
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C1	REAL300012078616	0	44	0.0	-75.26	352.13	9.20	-66.06
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C1	REAL300012078617	0	44	0.0	-70.51	364.83	8.82	-61.69
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=C3OCCOC3=C2)C1	REAL300012078618	0	43	0.0	-72.90	356.64	6.50	-66.40
CCCCC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C2=CC=CC=C2O1	REAL300012078619	0	52	0.0	-68.16	404.28	10.33	-57.83
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C1	REAL300012078620	0	50	0.0	-77.81	403.04	11.48	-66.33
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OCC1=CC=CS1	REAL300012078621	0	52	0.0	-73.67	426.92	9.06	-64.61
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078622	0	50	0.0	-72.47	399.98	9.00	-63.47
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300012078623	0	46	0.0	-74.68	375.06	7.29	-67.39
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3Cl)=C2)C1	REAL300012078624	0	51	0.0	-68.06	420.61	10.68	-57.38
O=C([O-])CC1COC(C[NH2+]CC2CCC(C(F)(F)F)CC2)C1	REAL300012078625	0	46	0.0	-68.67	347.54	7.82	-60.85
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)C1	REAL300012078626	0	44	0.0	-78.51	373.33	7.58	-70.93
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)C1	REAL300012078627	1	43	0.0	-76.74	372.58	7.40	-69.34
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C1	REAL300012078628	1	43	0.0	-75.55	371.67	7.21	-68.34
CCSC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078629	0	44	0.0	-65.96	357.85	8.67	-57.29
O=C([O-])CC1COC(C[NH2+]CC2=C(O)C=CC(Cl)=C2F)C1	REAL300012078630	1	38	0.0	-64.83	327.34	4.55	-60.28
CCN1N=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C2=CC=CC=C21	REAL300012078631	0	46	0.0	-69.23	367.93	7.60	-61.63
COCCC1(C[NH2+]CC2CC(CC(=O)[O-])CO2)CCCCC1	REAL300012078632	0	53	0.0	-64.45	374.52	7.01	-57.44
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=C(Cl)S2)C1	REAL300012078633	0	34	0.0	-71.85	324.58	7.19	-64.66
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1[N+](=O)[O-]	REAL300012078634	0	54	0.0	-80.81	431.71	11.77	-69.04
CCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078635	0	47	0.0	-68.38	369.03	7.84	-60.54
COC1=CC=C(C2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)O2)C([N+](=O)[O-])=C1	REAL300012078636	0	50	0.0	-75.81	410.01	9.28	-66.53
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C(Cl)=C3)O2)C1	REAL300012078637	0	44	0.0	-72.06	388.30	9.67	-62.39
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078638	0	50	0.0	-65.69	414.99	9.29	-56.40
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078639	0	47	0.0	-67.02	406.27	9.31	-57.71
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C1	REAL300012078640	0	44	0.0	-69.29	356.42	8.70	-60.59
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OC(C)C	REAL300012078641	0	51	0.0	-72.08	394.70	7.55	-64.53
CCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OCC	REAL300012078642	0	54	0.0	-71.91	420.13	8.65	-63.26
CC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1[N+](=O)[O-]	REAL300012078643	0	42	0.0	-80.07	340.36	8.01	-72.06
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078644	0	50	0.0	-67.03	421.41	9.36	-57.67
CC(C)OC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078645	0	47	0.0	-68.37	365.45	7.66	-60.71
CCCCCCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078646	0	59	0.0	-68.26	455.02	10.97	-57.29
CC(C[NH2+]CC1CC(CC(=O)[O-])CO1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012078647	0	58	0.0	-66.31	429.79	11.25	-55.06
O=C([O-])CC1COC(C[NH2+]CC2=C(Br)C=CS2)C1	REAL300012078648	0	34	0.0	-60.94	305.84	6.45	-54.49
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2N2CCOCC2)C1	REAL300012078649	0	50	0.0	-63.54	380.74	6.39	-57.15
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=CC=C2Br)C1	REAL300012078650	0	37	0.0	-63.01	318.85	7.43	-55.58
CC(C)CC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078651	0	49	0.0	-65.02	377.37	9.50	-55.52
CC1=CC=C(C2=CC=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=C2)C=C1	REAL300012078652	0	50	0.0	-68.64	391.79	10.90	-57.74
COC1=CC=C(Br)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078653	0	41	0.0	-63.84	341.07	6.69	-57.15
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1[N+](=O)[O-]	REAL300012078654	0	43	0.0	-84.88	351.70	7.55	-77.33
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300012078655	0	37	0.0	-70.81	329.64	7.83	-62.98
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=CC(Cl)=C2)C1	REAL300012078656	0	37	0.0	-71.73	319.32	7.39	-64.34
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=CO2)C1	REAL300012078657	0	34	0.0	-68.74	298.63	5.59	-63.15
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078658	0	50	0.0	-68.01	393.73	10.94	-57.07
O=C([O-])CC1COC(C[NH2+]CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C1	REAL300012078659	0	43	0.0	-77.26	374.65	8.89	-68.37
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OC(F)F)=C2)C1	REAL300012078660	0	41	0.0	-70.47	335.43	6.40	-64.07
CCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OCC	REAL300012078661	0	51	0.0	-72.11	398.63	7.85	-64.26
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Cl)C=C2F)C1	REAL300012078662	0	37	0.0	-70.66	319.15	7.44	-63.22
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300012078663	0	40	0.0	-76.69	348.07	8.23	-68.46
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(F)C=C2Br)C1	REAL300012078664	0	37	0.0	-69.84	319.54	7.50	-62.34
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300012078665	0	41	0.0	-69.85	342.17	6.61	-63.24
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CC=C2F)C1	REAL300012078666	0	37	0.0	-64.41	318.47	7.36	-57.05
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078667	0	51	0.0	-69.13	404.39	9.88	-59.25
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)C1	REAL300012078668	0	47	0.0	-71.83	395.46	9.72	-62.11
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(Cl)=C2F)C1	REAL300012078669	0	37	0.0	-70.14	316.90	7.36	-62.78
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C2=CC=CC=C12	REAL300012078670	0	47	0.0	-69.71	365.50	8.30	-61.41
O=C([O-])CC1COC(C[NH2+]CC2=NNC=C2C2=CC=CC=C2)C1	REAL300012078671	0	44	0.0	-63.21	354.57	6.76	-56.45
O=C([O-])CC1COC(C[NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C1	REAL300012078671	1	44	0.0	-68.21	354.38	6.73	-61.48
CN1C2=CC=CC=C2N=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078672	0	43	0.0	-74.67	343.44	7.18	-67.49
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(Br)=C1O	REAL300012078673	0	42	0.0	-65.47	351.75	4.53	-60.94
O=C([O-])CC1COC(C[NH2+]CC2=CSC(Br)=C2)C1	REAL300012078674	0	34	0.0	-69.34	307.83	6.50	-62.84
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OCC1=CC=CN=C1	REAL300012078675	0	54	0.0	-76.02	431.52	8.20	-67.82
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CC=C2OCC2=CC=CN=C2)C1	REAL300012078676	0	50	0.0	-66.08	417.69	8.88	-57.20
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C(C2=CC=CC=C2)C=C1OC	REAL300012078677	0	55	0.0	-65.83	427.57	9.42	-56.41
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300012078678	0	47	0.0	-68.53	370.39	10.22	-58.31
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C1	REAL300012078679	0	50	0.0	-63.11	400.91	8.38	-54.73
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)C1	REAL300012078680	0	48	0.0	-71.48	370.77	6.80	-64.68
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Br)C(F)=C2)C1	REAL300012078681	0	37	0.0	-74.72	323.19	7.48	-67.24
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C1	REAL300012078682	0	46	0.0	-66.36	367.83	8.70	-57.66
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C1	REAL300012078683	0	46	0.0	-69.93	365.40	8.46	-61.47
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C1	REAL300012078684	0	46	0.0	-72.04	365.59	8.47	-63.57
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078685	0	52	0.0	-69.11	390.16	7.37	-61.74
CN1CCN(C2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=C2)CC1	REAL300012078686	1	54	0.0	-66.98	405.39	5.52	-61.46
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C1	REAL300012078687	0	46	0.0	-73.27	377.58	5.32	-67.95
CNC(=O)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078688	0	44	0.0	-76.12	352.65	5.10	-71.02
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C1	REAL300012078689	0	44	0.0	-72.74	361.42	8.09	-64.65
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078690	0	50	0.0	-71.98	410.29	9.44	-62.54
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C1	REAL300012078691	0	44	0.0	-72.22	371.73	8.55	-63.67
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078692	0	50	0.0	-73.56	407.16	9.16	-64.40
O=C([O-])CC1COC(C[NH2+]CC2=C(Cl)N=C(SC3=CC=CC=C3)S2)C1	REAL300012078693	0	44	0.0	-65.85	400.02	8.74	-57.11
CC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC(C)=C1OCC1=CC=CC=N1	REAL300012078694	0	56	0.0	-71.04	442.00	9.91	-61.13
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300012078695	0	44	0.0	-71.88	367.10	7.51	-64.37
CCOC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OCC1=CC=CC=C1	REAL300012078696	0	58	0.0	-73.56	458.54	10.91	-62.65
COC1=C2OC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CC2=CC=C1	REAL300012078697	0	44	0.0	-73.02	353.55	6.63	-66.39
CC(C)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1[N+](=O)[O-]	REAL300012078698	0	48	0.0	-80.43	381.21	9.31	-71.12
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=C3OCOC3=C2)C1	REAL300012078699	0	40	0.0	-74.78	343.53	6.09	-68.69
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078700	0	53	0.0	-70.91	414.00	9.26	-61.65
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078701	0	53	0.0	-72.30	428.37	9.72	-62.58
CCOC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OCC(C)C	REAL300012078702	0	57	0.0	-71.66	440.23	9.33	-62.33
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=CC=C2F)C1	REAL300012078703	0	37	0.0	-64.45	323.03	7.46	-56.99
COC1=CC(Br)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012078704	0	45	0.0	-68.81	370.32	6.60	-62.21
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Br)C=C2F)C1	REAL300012078705	0	37	0.0	-70.82	323.72	7.55	-63.27
COC1=CC(OC)=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078706	0	45	0.0	-68.10	355.17	5.42	-62.68
COC1=CC2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=C2C=C1	REAL300012078707	0	47	0.0	-72.13	371.63	8.38	-63.75
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=CS2)C1	REAL300012078709	0	34	0.0	-67.00	307.87	6.54	-60.46
CCCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OCC	REAL300012078710	0	57	0.0	-71.62	441.63	9.43	-62.19
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078711	0	50	0.0	-70.64	393.87	8.93	-61.71
COC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1OC(F)F	REAL300012078712	0	45	0.0	-64.73	363.16	6.39	-58.34
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(CSC(F)F)O2)C1	REAL300012078713	0	41	0.0	-70.12	356.71	7.40	-62.72
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC=CC=C3N=C2N2CCCCC2)C1	REAL300012078714	0	57	0.0	-67.59	434.21	10.07	-57.52
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC=CC=C3NC2=O)C1	REAL300012078715	0	43	0.0	-72.22	346.53	5.87	-66.35
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(F)C(Br)=C2)C1	REAL300012078717	0	37	0.0	-74.60	323.18	7.48	-67.12
CC1=CC=C(COC2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=C2)C=C1	REAL300012078718	0	54	0.0	-69.32	428.85	10.77	-58.55
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(N3CCCCC3)C=C2)C1	REAL300012078719	0	52	0.0	-66.09	389.11	8.10	-57.99
CCCCCCOC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078720	0	56	0.0	-65.91	433.52	10.18	-55.73
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1SC	REAL300012078721	0	45	0.0	-72.36	365.09	7.16	-65.20
N#CCCCOC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078722	0	48	0.0	-72.64	389.88	8.36	-64.28
CCCCCOC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OC	REAL300012078723	0	57	0.0	-71.97	441.27	9.30	-62.67
CCC(C)OC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OC	REAL300012078724	0	54	0.0	-71.74	415.46	8.35	-63.39
CCCCCCCOC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078725	0	59	0.0	-65.91	455.02	10.96	-54.95
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OCCCC#N	REAL300012078726	0	52	0.0	-80.98	419.13	8.25	-72.73
C=C(C)COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OC	REAL300012078727	0	52	0.0	-72.68	408.75	8.28	-64.40
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OCCC(C)C	REAL300012078728	0	57	0.0	-71.95	437.34	9.04	-62.91
C=CCC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC(OC)=C1O	REAL300012078729	0	49	0.0	-72.16	391.05	5.96	-66.20
O=C([O-])CC1COC(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C1	REAL300012078730	0	44	0.0	-75.14	355.57	6.75	-68.39
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078731	0	46	0.0	-71.93	374.37	7.78	-64.15
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078732	0	47	0.0	-67.40	394.63	5.37	-62.03
CCOC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OCC(F)(F)F	REAL300012078733	0	51	0.0	-75.95	418.20	8.32	-67.63
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C1	REAL300012078734	1	43	0.0	-75.33	349.08	6.64	-68.69
O=C([O-])CC1COC(C[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C1	REAL300012078735	0	43	0.0	-66.46	359.32	7.59	-58.87
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)C1	REAL300012078736	0	50	0.0	-73.49	390.22	5.95	-67.54
CN1C=NC2=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CC=C21	REAL300012078737	0	43	0.0	-70.41	344.56	8.16	-62.25
C=CCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1Cl	REAL300012078738	0	45	0.0	-72.64	376.46	8.17	-64.47
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C1	REAL300012078739	0	43	0.0	-69.39	361.20	7.84	-61.55
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C2OC(C)CC2=C1	REAL300012078740	0	49	0.0	-63.20	382.59	6.69	-56.51
CC1(C)CC2=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CC=C2O1	REAL300012078741	0	48	0.0	-70.17	373.58	8.06	-62.11
O=C([O-])CC1COC(C[NH2+]CC2=COC(C3=CC=CC=C3)=N2)C1	REAL300012078742	0	43	0.0	-70.25	352.83	5.25	-65.00
O=C([O-])CC1COC(C[NH2+]CC2=CSC(C3=CC=CS3)=N2)C1	REAL300012078743	0	40	0.0	-68.12	352.65	6.65	-61.47
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078744	0	47	0.0	-67.48	373.91	7.32	-60.16
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300012078745	0	40	0.0	-73.45	351.63	8.31	-65.14
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=CC(C(F)(F)F)=C2)C1	REAL300012078746	0	40	0.0	-73.36	356.20	8.41	-64.95
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Br)C=C2Cl)C1	REAL300012078747	0	37	0.0	-69.53	330.85	7.95	-61.58
CC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(Br)=C1	REAL300012078748	0	40	0.0	-63.99	333.00	8.07	-55.92
CC(C)COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078749	0	50	0.0	-68.05	389.13	8.54	-59.51
COCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078750	0	48	0.0	-70.53	381.15	6.31	-64.22
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078751	0	52	0.0	-71.66	424.92	10.51	-61.15
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300012078752	0	41	0.0	-73.03	351.46	6.94	-66.09
O=C([O-])CC1COC(C[NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)C1	REAL300012078753	0	45	0.0	-73.67	389.22	8.27	-65.40
CN1N=C(C2=CC=CC=C2)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1Cl	REAL300012078754	0	47	0.0	-65.18	390.55	8.30	-56.88
COC1=CC2=C(C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1)OCO2	REAL300012078755	0	44	0.0	-67.09	350.34	4.84	-62.25
O=C([O-])CC1COC(C[NH2+]CC2=CN=CC3=CC=CC=C32)C1	REAL300012078756	0	42	0.0	-69.49	332.59	7.18	-62.31
CC(C)COC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078757	0	50	0.0	-65.79	389.13	8.54	-57.25
O=C([O-])CC1COC(C[NH2+]CC2=CN=CC(Br)=C2)C1	REAL300012078758	0	36	0.0	-71.82	312.34	5.63	-66.19
CN1N=NC2=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CC=C21	REAL300012078759	0	42	0.0	-79.83	340.16	5.27	-74.56
CC1(C)CC2=CC=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=C2O1	REAL300012078760	0	48	0.0	-60.53	373.38	8.03	-52.50
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=CC3=C2OCC3)C1	REAL300012078761	0	42	0.0	-63.67	353.23	7.27	-56.40
CN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2=CC=CC=C2)=N1	REAL300012078762	0	47	0.0	-67.30	375.47	7.95	-59.35
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C1	REAL300012078763	0	44	0.0	-68.11	354.53	8.01	-60.10
CC1=C(Br)SC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078764	0	37	0.0	-69.19	327.65	7.25	-61.94
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Br)C3=CC=CN=C23)C1	REAL300012078765	0	42	0.0	-63.91	354.51	7.86	-56.05
CC1=NC2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=C2C=C1	REAL300012078766	0	45	0.0	-73.32	358.88	7.79	-65.53
COC1=CC=C(OC2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=C2)C=C1	REAL300012078767	0	52	0.0	-70.73	414.39	8.96	-61.77
O=C([O-])CC1COC(C[NH2+]CC2=NC=CC=C2C(F)(F)F)C1	REAL300012078768	0	39	0.0	-61.68	320.04	5.88	-55.80
CC1=CC(C2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=C2)=CC(C)=C1	REAL300012078769	0	53	0.0	-68.75	413.19	11.55	-57.20
CC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1N1C=NC=N1	REAL300012078770	0	46	0.0	-75.35	365.12	10.27	-65.08
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC(F)=CC=C3O2)C1	REAL300012078771	0	40	0.0	-72.54	330.47	7.41	-65.13
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OCC(F)F)C=C2)C1	REAL300012078772	0	44	0.0	-73.70	360.54	7.36	-66.34
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078773	0	47	0.0	-72.58	392.14	9.08	-63.50
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C1	REAL300012078774	0	51	0.0	-68.13	413.86	10.16	-57.97
CCCCOC1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078775	0	50	0.0	-60.33	389.17	8.71	-51.62
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C1	REAL300012078776	0	48	0.0	-71.57	396.77	10.92	-60.65
CC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C(OC(F)F)C=C1C	REAL300012078777	0	47	0.0	-65.70	373.15	7.68	-58.02
COC1=CC(C)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012078778	0	48	0.0	-71.27	369.70	6.62	-64.65
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078779	0	43	0.0	-71.71	359.39	7.67	-64.04
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078780	1	43	0.0	-68.08	357.80	4.89	-63.19
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078781	0	46	0.0	-74.96	379.85	6.28	-68.68
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2C2=CSC=C2)C1	REAL300012078782	0	41	0.0	-70.64	342.94	5.66	-64.98
CSC1=CC(Br)=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078783	0	41	0.0	-63.20	353.18	8.36	-54.84
O=C([O-])CC1COC(C[NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)C1	REAL300012078784	0	47	0.0	-73.76	386.83	8.55	-65.21
CC1CCC2=C(C1)SC(C[NH2+]CC1CC(CC(=O)[O-])CO1)=N2	REAL300012078785	0	46	0.0	-63.77	365.50	7.17	-56.60
CC(C)(C)C1CCC(C[NH2+]CC2CC(CC(=O)[O-])CO2)CC1	REAL300012078786	0	55	0.0	-64.66	378.97	8.89	-55.77
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC(F)F)C(Br)=C2)C1	REAL300012078787	0	41	0.0	-72.92	355.85	7.05	-65.87
O=C([O-])CC1COC(C[NH2+]CC2=CN(CC3=CC=C(C(F)(F)F)C=C3)N=C2)C1	REAL300012078788	0	50	0.0	-74.19	419.15	9.49	-64.70
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078789	0	51	0.0	-63.32	398.43	9.60	-53.72
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078790	0	51	0.0	-63.73	398.42	9.59	-54.14
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078791	0	50	0.0	-67.14	393.62	7.84	-59.30
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OCC3CC3)C=C2)C1	REAL300012078792	0	48	0.0	-68.12	379.21	8.62	-59.50
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OC2=CC=C(F)C=C2Cl)C1	REAL300012078793	0	48	0.0	-61.48	405.35	10.22	-51.26
COC1=CC(Cl)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1Cl	REAL300012078794	0	41	0.0	-67.34	353.55	7.14	-60.20
CC(C)CC1=NC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)S1	REAL300012078795	0	45	0.0	-67.11	364.02	7.00	-60.11
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(C3=CC=CS3)S2)C1	REAL300012078796	0	40	0.0	-69.72	353.07	6.91	-62.81
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(C3=CSC=C3)S2)C1	REAL300012078797	0	40	0.0	-69.27	352.34	6.77	-62.50
CC1=CC=C(C2=NC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)S2)O1	REAL300012078798	0	43	0.0	-71.78	365.88	6.74	-65.04
CC1=CC(Br)=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078799	0	40	0.0	-68.77	332.31	8.05	-60.72
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Cl)C(Br)=C2)C1	REAL300012078800	0	37	0.0	-73.40	332.30	7.89	-65.51
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2C2=CC=CC=C2F)C1	REAL300012078801	0	44	0.0	-71.33	359.06	6.76	-64.57
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)C1	REAL300012078802	0	46	0.0	-71.94	370.02	8.51	-63.43
O=C([O-])CC1COC(C[NH2+]CC2=C(Cl)OC3=CC=CC=C32)C1	REAL300012078803	0	40	0.0	-68.02	340.29	7.77	-60.25
COCCOC1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078804	0	48	0.0	-60.80	379.80	6.37	-54.43
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Cl)C=C2Br)C1	REAL300012078805	0	37	0.0	-68.98	329.87	7.94	-61.04
COC1=C(Br)C=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078806	0	41	0.0	-65.01	346.18	6.87	-58.14
CN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2=CC=CS2)=N1	REAL300012078807	0	44	0.0	-64.78	362.81	7.25	-57.53
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CC=C2OC2CCCC2)C1	REAL300012078808	0	51	0.0	-62.93	406.10	9.58	-53.35
COC1=CC(Br)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(OC)=C1	REAL300012078809	0	45	0.0	-60.22	371.88	5.96	-54.26
O=C([O-])CC1COC(C[NH2+]CC2=C(Cl)C=CC=C2OC2=CC=CC=C2)C1	REAL300012078810	0	48	0.0	-59.13	399.27	10.17	-48.96
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CCCO2)C1	REAL300012078811	0	52	0.0	-62.62	419.97	8.08	-54.54
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078812	0	56	0.0	-69.14	421.92	10.43	-58.71
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)C1	REAL300012078813	0	44	0.0	-70.77	362.82	8.77	-62.00
CC(C)(C)C1=NC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)S1	REAL300012078814	0	45	0.0	-67.03	363.02	6.61	-60.42
O=C([O-])CC1COC(C[NH2+]CC2=CC=C3OCCOC3=C2)C1	REAL300012078815	0	43	0.0	-70.00	340.68	5.97	-64.03
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(Br)=C2)C1	REAL300012078816	0	37	0.0	-67.62	317.46	7.43	-60.19
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2)C1	REAL300012078817	0	44	0.0	-71.29	355.00	8.03	-63.26
O=C([O-])CC1COC(C[NH2+]CC2=CN(CC3=CC=CC=C3Cl)N=C2)C1	REAL300012078818	0	47	0.0	-67.26	394.83	8.90	-58.36
CC(=O)NC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078819	0	44	0.0	-71.38	352.26	5.71	-65.67
CCN(CC)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078820	0	51	0.0	-64.31	391.30	9.12	-55.19
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Br)C=C2)C1	REAL300012078821	0	37	0.0	-69.70	317.47	7.44	-62.26
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC(OC)=C1OC	REAL300012078822	0	49	0.0	-76.10	388.08	5.93	-70.17
O=C([O-])CC1COC(C[NH2+]CC2=C(F)C=CC=C2Cl)C1	REAL300012078823	0	37	0.0	-60.10	315.54	7.24	-52.86
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OC(F)F)C1	REAL300012078824	0	41	0.0	-65.88	334.07	6.46	-59.42
COC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1OC	REAL300012078825	0	45	0.0	-63.94	354.96	6.08	-57.86
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Cl)C=C2Cl)C1	REAL300012078826	0	37	0.0	-69.38	326.28	7.84	-61.54
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(N3CCOCC3)C=C2)C1	REAL300012078827	0	50	0.0	-68.01	380.18	5.65	-62.36
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012078828	0	45	0.0	-72.37	354.92	6.01	-66.36
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(OC)=C1	REAL300012078829	0	45	0.0	-63.26	353.78	5.48	-57.78
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012078830	0	40	0.0	-72.35	334.90	7.82	-64.53
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(Cl)=C2Cl)C1	REAL300012078831	0	37	0.0	-68.60	323.22	7.74	-60.86
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300012078832	0	37	0.0	-73.41	328.09	7.78	-65.63
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078833	0	58	0.0	-65.31	440.42	11.70	-53.61
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC(F)F)C=C2)C1	REAL300012078834	0	41	0.0	-70.05	335.43	6.40	-63.65
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2C(F)(F)F)C1	REAL300012078835	0	40	0.0	-65.85	324.70	7.89	-57.96
CCCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078836	0	50	0.0	-68.32	390.53	8.62	-59.70
CC(C)CCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078837	0	53	0.0	-68.24	408.09	9.14	-59.10
CCCCCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078838	0	56	0.0	-68.25	433.52	10.18	-58.07
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300012078839	0	48	0.0	-70.99	384.92	9.65	-61.34
CCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(OCCC)=C1	REAL300012078840	0	57	0.0	-62.42	440.48	8.93	-53.49
CCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012078841	0	48	0.0	-72.24	376.77	6.93	-65.31
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300012078842	0	40	0.0	-69.63	335.23	7.83	-61.80
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(OC)=C1OC	REAL300012078843	0	49	0.0	-67.65	388.05	6.02	-61.63
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OCC1=CC=CC=C1	REAL300012078844	0	55	0.0	-73.58	436.68	9.99	-63.59
COC1=CC=C(Br)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078845	0	41	0.0	-63.38	345.61	6.79	-56.59
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC(Br)=C1O	REAL300012078846	0	42	0.0	-73.48	356.84	4.59	-68.89
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300012078847	0	47	0.0	-68.52	370.39	10.23	-58.29
COC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C2=CC=CC=C2C=C1	REAL300012078848	0	47	0.0	-62.75	366.56	8.29	-54.46
O=C([O-])CC1COC(C[NH2+]CC2=C(Cl)C=CC=C2Cl)C1	REAL300012078849	0	37	0.0	-59.63	324.91	7.72	-51.91
COC1=CC(OC)=C(OC)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078850	0	49	0.0	-66.65	383.03	5.38	-61.27
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078851	0	47	0.0	-67.43	389.54	8.80	-58.63
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)C1	REAL300012078852	0	51	0.0	-67.07	407.44	10.10	-56.97
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2Br)C1	REAL300012078853	0	37	0.0	-63.96	311.59	7.40	-56.56
CC1=NN(C)C(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078854	0	40	0.0	-65.26	334.32	5.45	-59.81
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3=CC=C(Br)C=C3)N=C2)C1	REAL300012078855	0	44	0.0	-72.29	376.30	8.65	-63.64
O=C([O-])CC1COC(C[NH2+]CC2=CN(CC(F)(F)F)N=C2)C1	REAL300012078856	0	40	0.0	-75.37	338.39	5.99	-69.38
CN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C(C)(C)C)=N1	REAL300012078857	0	49	0.0	-67.21	366.08	7.03	-60.18
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2I)C1	REAL300012078858	0	37	0.0	-63.42	316.89	7.84	-55.58
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC(F)F)C=C2OC(F)F)C1	REAL300012078859	0	45	0.0	-70.69	373.30	6.03	-64.66
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(N3CCCCC3)C([N+](=O)[O-])=C2)C1	REAL300012078860	0	54	0.0	-82.23	419.18	10.06	-72.17
CN(CCC#N)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078861	0	49	0.0	-70.27	390.35	8.67	-61.60
O=C([O-])CC1COC(C[NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)C1	REAL300012078862	0	47	0.0	-67.19	376.28	8.57	-58.62
CCOC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1OC	REAL300012078863	0	48	0.0	-63.68	376.81	7.00	-56.68
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OCC(N)=O	REAL300012078864	0	49	0.0	-84.32	393.50	3.97	-80.35
C#CCOC1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078865	0	43	0.0	-60.69	351.96	7.66	-53.03
CCNC(=O)COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012078866	0	55	0.0	-83.38	436.92	6.25	-77.13
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC2=C1OCO2	REAL300012078867	0	44	0.0	-77.47	351.75	4.76	-72.71
O=C([O-])CC1COC(C[NH2+]CC2=NN(C3=CC=CC=C3)N=C2)C1	REAL300012078868	1	43	0.0	-72.36	350.60	6.60	-65.76
COC1=CC2=C(C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1)OC(C)C2	REAL300012078869	0	49	0.0	-63.52	381.40	6.76	-56.76
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC(OC)=C1OCC(N)=O	REAL300012078870	0	53	0.0	-84.79	426.66	3.78	-81.01
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC(Cl)=C1OCC(N)=O	REAL300012078871	0	49	0.0	-84.41	413.46	4.63	-79.78
CCN(C(C)=O)C1=NC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CS1	REAL300012078872	1	46	0.0	-72.19	374.77	6.66	-65.53
COC1=CC=CC(OC)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078873	0	45	0.0	-58.71	353.13	5.62	-53.09
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(I)=C2)C1	REAL300012078874	0	37	0.0	-67.34	323.95	7.91	-59.43
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(I)C=C2)C1	REAL300012078875	0	37	0.0	-69.58	323.95	7.92	-61.66
CSC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)S1	REAL300012078876	0	38	0.0	-67.37	329.69	7.14	-60.23
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012078877	0	47	0.0	-75.44	391.32	7.67	-67.77
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078878	0	50	0.0	-59.08	385.41	10.65	-48.43
CS(=O)(=O)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078879	0	43	0.0	-78.26	356.87	4.34	-73.92
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C1	REAL300012078880	0	47	0.0	-69.38	387.11	10.75	-58.63
COC1=CC=C(Cl)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078881	0	41	0.0	-63.33	341.04	6.69	-56.64
COC(=O)C1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CN1C	REAL300012078882	0	44	0.0	-70.52	355.60	7.01	-63.51
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C1	REAL300012078883	0	50	0.0	-69.66	400.21	8.40	-61.26
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Br)C=N2)C1	REAL300012078884	0	36	0.0	-69.67	312.47	5.59	-64.08
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(N3CCOCC3)S2)C1	REAL300012078885	0	46	0.0	-69.80	369.84	4.13	-65.67
C#CCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078886	0	46	0.0	-69.00	374.81	8.36	-60.64
CC1=NN(C)C2=NC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=C12	REAL300012078887	0	45	0.0	-77.67	362.44	6.54	-71.13
O=C([O-])CC1COC(C[NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C1	REAL300012078888	0	40	0.0	-69.52	339.87	7.83	-61.69
CCOCC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OC	REAL300012078889	0	51	0.0	-67.92	399.76	7.03	-60.89
O=C([O-])CC1COC(C[NH2+]CC2=NC=CN2CC(F)(F)F)C1	REAL300012078890	0	40	0.0	-72.29	333.37	6.30	-65.99
O=C([O-])CC1COC(C[NH2+]CC2=CSC(C3=CC=C4OCOC4=C3)=N2)C1	REAL300012078891	0	46	0.0	-71.26	387.07	6.28	-64.98
O=C([O-])CC1COC(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2Br)C1	REAL300012078892	0	40	0.0	-66.36	350.65	8.41	-57.95
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Br)C=C2C(F)(F)F)C1	REAL300012078893	0	40	0.0	-69.24	346.02	8.49	-60.75
O=C([O-])CC1COC(C[NH2+]CC2=C(F)C=CC=C2Br)C1	REAL300012078894	0	37	0.0	-59.77	319.57	7.33	-52.44
O=C([O-])CC1COC(C[NH2+]CC2=CSC=C2Br)C1	REAL300012078895	0	34	0.0	-65.39	305.14	6.41	-58.98
CC(C)COC1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078896	0	50	0.0	-60.43	387.78	8.60	-51.83
O=C([O-])CC1COC(C[NH2+]CC2=NC3=C(CCCC3)S2)C1	REAL300012078897	0	43	0.0	-63.85	344.69	6.56	-57.29
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=CC(Br)=C2)C1	REAL300012078898	0	37	0.0	-71.74	323.88	7.50	-64.24
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC=NC=C3C=C2)C1	REAL300012078899	0	42	0.0	-73.39	337.17	7.30	-66.09
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(F)=C2Br)C1	REAL300012078900	0	37	0.0	-69.25	317.32	7.44	-61.81
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(Br)=C2F)C1	REAL300012078901	0	37	0.0	-70.29	321.31	7.47	-62.82
CC(C)(C)C1=NC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=N1	REAL300012078902	0	47	0.0	-73.60	368.44	6.86	-66.74
CS(=O)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078903	0	42	0.0	-76.78	348.39	5.41	-71.37
O=C([O-])CC1COC(C[NH2+]CC2=CC=C3CCCCC3=C2)C1	REAL300012078904	0	47	0.0	-65.48	358.87	9.31	-56.17
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C)=C1OC	REAL300012078905	0	48	0.0	-70.47	369.92	6.72	-63.75
O=C([O-])CC1COC(C[NH2+]CC2=CSC(Cl)=C2Cl)C1	REAL300012078906	0	34	0.0	-64.48	317.09	6.82	-57.66
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(C(F)(F)F)S2)C1	REAL300012078907	0	36	0.0	-75.02	322.24	5.23	-69.79
CS(=O)(=O)C1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078908	0	43	0.0	-75.57	356.87	4.33	-71.24
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3CCCC3)C=C2)C1	REAL300012078909	0	50	0.0	-65.21	379.72	10.01	-55.20
O=C([O-])CC1COC(C[NH2+]CC2=NC=CN2C2=CC=CC=C2)C1	REAL300012078910	0	44	0.0	-62.93	353.73	8.48	-54.45
O=C([O-])CC1COC(C[NH2+]CC2=CC=NN2C2CCCC2)C1	REAL300012078911	0	47	0.0	-74.59	363.01	7.38	-67.21
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078912	0	47	0.0	-64.07	370.01	8.46	-55.61
COC1=CC(C)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C)=N1	REAL300012078913	0	46	0.0	-71.48	357.02	4.57	-66.91
COC1=CC=CC(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078914	0	41	0.0	-57.88	338.38	6.59	-51.29
CCC1=CC(OC)=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078915	0	47	0.0	-67.02	359.06	7.40	-59.62
CC1=NC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)N1C1=CC=CC=C1	REAL300012078916	0	47	0.0	-66.02	376.82	9.15	-56.87
CCCN1N=C(C)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1C	REAL300012078917	0	49	0.0	-67.73	381.37	7.21	-60.52
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3CCC3)C=C2)C1	REAL300012078918	0	47	0.0	-65.33	361.93	9.40	-55.93
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC2=CC=CC=C21	REAL300012078919	0	47	0.0	-70.59	370.65	8.42	-62.17
CCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1F	REAL300012078920	0	44	0.0	-74.41	353.76	7.12	-67.29
COC1=CC=CC2=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=CC=C12	REAL300012078921	0	47	0.0	-69.86	365.52	8.30	-61.56
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1C#N	REAL300012078922	0	42	0.0	-80.46	345.88	6.53	-73.93
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078923	0	47	0.0	-69.27	370.42	8.67	-60.60
O=C([O-])CC1COC(C[NH2+]CC2=NC=C(C(F)(F)F)S2)C1	REAL300012078924	1	36	0.0	-69.40	321.52	5.13	-64.27
O=C([O-])CC1COC(C[NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C1	REAL300012078925	0	44	0.0	-72.70	360.08	5.12	-67.58
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(Br)=C1	REAL300012078926	0	41	0.0	-62.58	341.94	6.66	-55.92
CC1=CC(Br)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)S1	REAL300012078927	0	37	0.0	-60.69	327.73	7.26	-53.43
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078928	0	52	0.0	-69.05	405.87	9.52	-59.53
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078929	0	47	0.0	-57.61	385.25	9.51	-48.10
CN1C(=O)CCC2=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CC=C21	REAL300012078930	0	48	0.0	-76.23	372.87	7.73	-68.50
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078931	0	52	0.0	-63.40	421.78	10.13	-53.27
CC1=CC=C(OC(F)F)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078932	0	44	0.0	-65.80	355.47	7.13	-58.67
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C1	REAL300012078933	0	43	0.0	-70.11	377.92	8.36	-61.75
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)C1	REAL300012078934	0	43	0.0	-71.52	365.71	8.08	-63.44
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078935	0	54	0.0	-62.71	421.79	10.32	-52.39
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300012078936	0	48	0.0	-62.77	394.57	9.21	-53.56
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC(OC)=C1OCC(F)F	REAL300012078937	0	52	0.0	-79.70	422.94	7.18	-72.52
O=C([O-])CC1COC(C[NH2+]CC2=CC=NC3=C(Br)C=CC=C23)C1	REAL300012078938	0	42	0.0	-78.32	353.07	7.81	-70.51
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(C3CCCC3)S2)C1	REAL300012078939	0	46	0.0	-67.14	368.07	7.45	-59.69
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)C1	REAL300012078940	0	43	0.0	-71.06	369.36	8.06	-63.00
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(C3=CC=CO3)S2)C1	REAL300012078941	0	40	0.0	-71.88	343.97	5.92	-65.96
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Br)C(Cl)=C2)C1	REAL300012078942	0	37	0.0	-73.51	332.30	7.89	-65.62
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)C1	REAL300012078943	0	49	0.0	-69.12	405.76	9.34	-59.78
CN1C=C(C2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=C2)C=N1	REAL300012078944	0	47	0.0	-71.03	376.29	8.12	-62.91
O=C([O-])CC1COC(C[NH2+]CC2=CN(CC(F)F)N=C2)C1	REAL300012078945	0	40	0.0	-71.69	333.51	5.77	-65.92
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C1	REAL300012078946	0	48	0.0	-71.18	391.27	9.74	-61.44
CN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2=CC=C(F)C=C2)=N1	REAL300012078947	0	47	0.0	-69.61	381.60	8.04	-61.57
CN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2=CC=C(C#N)C=C2)=N1	REAL300012078948	0	48	0.0	-74.74	396.02	8.36	-66.38
CN(C)C(=O)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)N1	REAL300012078949	0	45	0.0	-79.12	353.69	4.99	-74.13
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=N1	REAL300012078950	0	51	0.0	-74.44	404.54	9.24	-65.20
CCC1=NN(C)C(CC)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078951	0	49	0.0	-67.80	373.10	7.11	-60.69
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(C3CCC3)S2)C1	REAL300012078952	0	43	0.0	-67.18	350.72	6.93	-60.25
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(C3CCCO3)S2)C1	REAL300012078953	0	44	0.0	-70.33	360.22	5.05	-65.28
CC1=CC=CC=C1N1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)N=N1	REAL300012078954	1	46	0.0	-73.32	370.23	7.55	-65.77
CN1N=C(Br)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078955	0	37	0.0	-74.77	318.51	4.88	-69.89
CN1C=C(C2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)S2)C=N1	REAL300012078956	0	44	0.0	-70.45	370.13	7.50	-62.95
O=C([O-])CC1COC(C[NH2+]CC2=CC=C3OCCCCOC3=C2)C1	REAL300012078957	0	49	0.0	-71.41	375.25	7.71	-63.70
CCOC1=C(Cl)C=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078958	0	44	0.0	-64.84	363.63	7.71	-57.13
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(F)C(Cl)=C2Cl)C1	REAL300012078959	0	37	0.0	-73.35	329.08	7.79	-65.56
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078960	0	48	0.0	-70.98	381.75	7.19	-63.79
O=C([O-])CC1COC(C[NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300012078961	0	41	0.0	-61.80	346.14	6.69	-55.11
O=C([O-])CC1COC(C[NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)C1	REAL300012078962	0	44	0.0	-73.48	358.77	7.79	-65.69
CC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2=CN(C)N=C2)=C1	REAL300012078963	0	50	0.0	-65.27	394.26	8.64	-56.63
CC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2=CC=NN2C)=C1	REAL300012078964	0	50	0.0	-62.73	392.38	8.39	-54.34
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)C1	REAL300012078965	0	47	0.0	-73.64	393.72	9.03	-64.61
CC1=CC(Br)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1Cl	REAL300012078966	0	40	0.0	-64.52	347.08	8.49	-56.03
O=C([O-])CC1COC(C[NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)C1	REAL300012078967	0	47	0.0	-65.76	395.51	8.79	-56.97
CC(C)(C)C1=CN=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)S1	REAL300012078968	0	45	0.0	-63.42	362.51	6.61	-56.81
N#CCCN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2=CC=NC=C2)=N1	REAL300012078969	0	50	0.0	-76.27	412.70	7.59	-68.68
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)C1	REAL300012078970	0	43	0.0	-61.66	357.27	10.42	-51.24
COC(=O)C1=C(C)N(C)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012078971	0	47	0.0	-74.42	374.20	7.32	-67.10
COCCCN1N=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078972	0	47	0.0	-72.85	373.85	5.12	-67.73
CC1=CC(F)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(Cl)=C1	REAL300012078973	0	40	0.0	-59.90	336.95	7.91	-51.99
COCCOCC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078974	0	51	0.0	-69.60	406.72	6.78	-62.82
CSCC1=CN=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)S1	REAL300012078975	0	40	0.0	-68.96	348.27	6.05	-62.91
O=C([O-])CC1COC(C[NH2+]CC2=CSC=C2C(F)(F)F)C1	REAL300012078976	0	37	0.0	-60.14	316.10	6.79	-53.35
CC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)SC2=C(Cl)C=CC=C12	REAL300012078977	0	43	0.0	-70.00	366.82	9.34	-60.66
O=C([O-])CC1COC(C[NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)C1	REAL300012078978	0	51	0.0	-74.86	419.60	9.22	-65.64
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(F)C=C2I)C1	REAL300012078979	0	37	0.0	-69.15	324.86	7.95	-61.20
O=C([O-])CC1COC(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C1	REAL300012078980	0	40	0.0	-78.12	335.80	5.92	-72.20
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CC2CC(CC(=O)[O-])CO2)O1	REAL300012078981	0	47	0.0	-65.33	380.11	7.24	-58.09
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=CN=C2Cl)C1	REAL300012078982	0	36	0.0	-69.80	324.43	6.05	-63.75
O=C([O-])CC1COC(C[NH2+]CC2=CC(OC(F)F)=CC=C2Br)C1	REAL300012078983	0	41	0.0	-67.72	350.82	6.96	-60.76
COC(=O)C1=C(C)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CN1	REAL300012078984	0	44	0.0	-71.35	353.77	5.83	-65.52
CC1=CC=C(C2=NC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)S2)C=C1C	REAL300012078985	0	49	0.0	-69.50	399.56	9.04	-60.46
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078986	0	47	0.0	-75.25	379.04	8.77	-66.48
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078987	0	47	0.0	-72.85	386.76	9.31	-63.54
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078988	0	50	0.0	-71.66	396.81	9.24	-62.42
CC(C)(C#N)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012078989	0	47	0.0	-70.77	372.79	8.77	-62.00
O=C([O-])CC1COC(C[NH2+]CC2=CN=NN2C2=CC=CC=C2)C1	REAL300012078990	0	43	0.0	-74.85	346.50	6.45	-68.40
COC1=CC(OC)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1F	REAL300012078991	0	45	0.0	-67.88	359.98	5.55	-62.33
COC1=CC(F)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012078992	0	45	0.0	-70.55	359.42	6.06	-64.49
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3F)=C2)C1	REAL300012078993	0	51	0.0	-68.88	417.57	10.33	-58.55
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012078994	0	50	0.0	-71.88	396.05	9.29	-62.59
CCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C)=C1	REAL300012078995	0	50	0.0	-67.14	383.84	8.46	-58.68
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC=NC=C3S2)C1	REAL300012078996	0	39	0.0	-72.89	328.30	6.57	-66.32
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC(Br)=CC=C3O2)C1	REAL300012078997	0	40	0.0	-71.76	345.34	7.95	-63.81
CCC1=C2OC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CC2=CC=C1	REAL300012078998	0	46	0.0	-70.18	366.95	8.76	-61.42
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OC3CC3)=C2F)C1	REAL300012078999	0	45	0.0	-65.00	362.09	7.82	-57.18
CCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C)=C1	REAL300012079000	0	47	0.0	-67.34	362.34	7.66	-59.68
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(F)=C2OC(F)F)C1	REAL300012079001	0	41	0.0	-67.07	340.51	6.53	-60.54
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=CC=C2OC(F)F)C1	REAL300012079002	0	41	0.0	-69.01	340.47	6.53	-62.48
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(C3CCCC3)=C2)C1	REAL300012079003	0	50	0.0	-65.46	380.40	10.02	-55.44
CN1C=C(C2=NN(C)C=C2C[NH2+]CC2CC(CC(=O)[O-])CO2)C=N1	REAL300012079004	0	47	0.0	-72.23	379.59	5.82	-66.41
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)C1	REAL300012079005	0	43	0.0	-70.03	377.93	8.36	-61.67
O=C([O-])CC1COC(C[NH2+]CC2=CSC(C(F)(F)F)=C2)C1	REAL300012079006	0	37	0.0	-72.54	326.78	6.96	-65.58
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C(F)(F)F)O2)C1	REAL300012079007	0	37	0.0	-71.91	318.77	6.26	-65.65
O=C([O-])CC1COC(C[NH2+]CC2=C(C(F)(F)F)SC=C2)C1	REAL300012079008	0	37	0.0	-63.25	318.26	7.01	-56.24
CN(C)C1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=CC(F)=C1F	REAL300012079009	0	45	0.0	-69.39	355.82	6.89	-62.50
O=C([O-])CC1COC(C[NH2+]CC2=C(F)C=CC(F)=C2Cl)C1	REAL300012079010	0	37	0.0	-63.66	321.39	7.29	-56.37
CC(C)OC1=CC(Cl)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1Cl	REAL300012079011	0	47	0.0	-66.99	393.34	8.69	-58.30
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC3CCOC3)C=C2)C1	REAL300012079012	0	49	0.0	-70.81	381.52	6.46	-64.35
CN(C)C1=CC(F)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1F	REAL300012079013	0	45	0.0	-69.33	361.59	6.39	-62.94
COC(=O)C1=C2CCCCN2C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079014	0	51	0.0	-74.56	397.87	8.54	-66.02
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(F)C(F)=C2F)C1	REAL300012079015	0	37	0.0	-76.90	313.31	6.98	-69.92
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC(C(F)(F)F)=C1	REAL300012079016	0	44	0.0	-71.84	364.73	7.13	-64.71
C=CCOC1=C(Cl)C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012079017	0	49	0.0	-75.80	409.64	8.18	-67.62
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC1CC1	REAL300012079018	0	49	0.0	-73.56	385.96	7.68	-65.88
CN1N=C(C(F)(F)F)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079019	0	40	0.0	-76.98	338.27	5.41	-71.57
COCC(C)OC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012079020	0	51	0.0	-69.60	397.76	7.02	-62.58
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OCC2=CC=C(F)C=C2F)C1	REAL300012079021	0	51	0.0	-68.09	416.20	10.40	-57.69
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C1	REAL300012079022	0	44	0.0	-68.75	363.54	9.43	-59.32
O=C([O-])CC1COC(C[NH2+]CC2=CC=NN2CCC2=CC=CC=C2)C1	REAL300012079023	0	50	0.0	-72.45	395.29	9.11	-63.34
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)C1	REAL300012079024	0	44	0.0	-68.31	373.38	7.68	-60.63
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1C(C)(C)C	REAL300012079025	0	53	0.0	-67.45	396.85	8.80	-58.65
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(CC3CCC3)=C2)C1	REAL300012079026	0	50	0.0	-65.30	387.23	10.32	-54.98
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079027	0	45	0.0	-60.96	368.99	6.03	-54.93
CC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=NC=C1Br	REAL300012079028	0	39	0.0	-69.35	330.99	6.18	-63.17
CC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C(Br)C=C1F	REAL300012079029	0	40	0.0	-68.34	338.30	8.10	-60.24
O=C([O-])CC1COC(C[NH2+]CC2=C(O)C=CC=C2Br)C1	REAL300012079030	0	38	0.0	-63.83	323.94	4.51	-59.32
CN1C=C(C2=NC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CS2)C=N1	REAL300012079031	0	43	0.0	-71.02	365.68	5.40	-65.62
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1Cl	REAL300012079032	0	41	0.0	-72.77	341.71	6.66	-66.11
O=C([O-])CC1COC(C[NH2+]CC2=CC=NN2CC2CCC2)C1	REAL300012079033	0	47	0.0	-71.05	366.64	7.35	-63.70
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)C1	REAL300012079034	1	43	0.0	-76.93	355.49	6.71	-70.22
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2CC(F)(F)F)C1	REAL300012079035	0	43	0.0	-65.56	345.35	8.39	-57.17
CN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(Br)=N1	REAL300012079036	0	37	0.0	-70.38	319.64	5.10	-65.28
CC(=O)NC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079037	0	44	0.0	-76.22	352.27	5.72	-70.50
CN1N=CC2=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CN=C21	REAL300012079038	0	42	0.0	-77.10	340.48	5.95	-71.15
O=C([O-])CC1COC(C[NH2+]CC2=NC=C(Br)C=C2F)C1	REAL300012079039	0	36	0.0	-64.14	317.83	5.61	-58.53
COC1=CC(Cl)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC	REAL300012079040	0	45	0.0	-69.21	366.75	6.48	-62.73
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C1	REAL300012079041	0	43	0.0	-68.40	357.18	8.61	-59.79
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079042	0	57	0.0	-71.89	444.07	7.26	-64.63
CN1N=C2CCCCC2=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079043	0	47	0.0	-72.38	360.38	6.81	-65.57
CCOC(=O)C1=C(C)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C(C)N1	REAL300012079044	0	50	0.0	-72.95	396.24	7.19	-65.76
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(Cl)C(F)=C2)C1	REAL300012079045	0	36	0.0	-78.09	313.77	5.50	-72.59
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C1	REAL300012079046	0	47	0.0	-70.27	389.20	10.78	-59.49
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Br)C(F)=C2F)C1	REAL300012079047	0	37	0.0	-75.45	327.61	7.53	-67.92
O=C([O-])CC1COC(C[NH2+]CC2=C(Br)SC=C2)C1	REAL300012079048	0	34	0.0	-64.50	304.11	6.47	-58.03
CCOC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C(F)C=C1OC	REAL300012079049	0	48	0.0	-70.54	381.28	6.98	-63.56
COC1=NC=C(Br)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079050	0	40	0.0	-65.25	343.28	4.18	-61.07
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)C1	REAL300012079051	0	43	0.0	-72.88	342.70	8.98	-63.90
O=C([O-])CC1COC(C[NH2+]CC2=CC=CN=C2Br)C1	REAL300012079052	0	36	0.0	-69.70	306.69	5.51	-64.19
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2CN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300012079053	0	51	0.0	-69.39	415.59	6.45	-62.94
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C(F)C=C1Br	REAL300012079054	0	41	0.0	-71.85	350.62	6.81	-65.04
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(Br)=C2Cl)C1	REAL300012079055	0	37	0.0	-68.71	327.43	7.85	-60.86
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)C1	REAL300012079056	0	41	0.0	-65.62	347.11	6.76	-58.86
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079057	0	47	0.0	-63.31	370.48	7.80	-55.51
CCOC1=CC(F)=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079058	0	44	0.0	-69.93	353.94	7.11	-62.82
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)C1	REAL300012079059	0	51	0.0	-77.05	392.18	7.82	-69.23
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC(F)F)C=C2F)C1	REAL300012079060	0	41	0.0	-67.34	340.99	6.42	-60.92
CC(C)(C)OC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079061	0	50	0.0	-65.43	376.57	7.95	-57.48
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C(F)C=C1C	REAL300012079062	0	44	0.0	-67.37	350.28	6.89	-60.48
CC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C)=C1Br	REAL300012079063	0	43	0.0	-67.03	347.26	8.53	-58.50
CC1=CC=NC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1Br	REAL300012079064	0	39	0.0	-60.05	327.81	6.07	-53.98
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012079065	0	54	0.0	-70.12	418.27	7.06	-63.06
CN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2=CC(F)=CC=C2F)=N1	REAL300012079066	0	47	0.0	-68.97	388.49	8.13	-60.84
CC(C)(C)C1=CSC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=N1	REAL300012079067	0	45	0.0	-63.93	361.75	6.54	-57.39
COCCC1=NC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)S1	REAL300012079068	0	43	0.0	-69.68	358.03	4.60	-65.08
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=CC(F)=C2O)C1	REAL300012079071	1	38	0.0	-72.20	317.87	4.21	-67.99
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=CC=C2OC2=CN=CC(Cl)=C2)C1	REAL300012079072	0	47	0.0	-67.97	402.48	8.53	-59.44
CN1N=C2CCSCC2=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079073	0	45	0.0	-75.81	360.58	6.48	-69.33
CCN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2=CC=CC=C2)=N1	REAL300012079074	0	50	0.0	-70.46	396.89	8.84	-61.62
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC3=C2CCOC3)C1	REAL300012079075	0	45	0.0	-67.89	342.95	6.78	-61.11
COCC1=C(C)C=C(C)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1C	REAL300012079076	0	53	0.0	-66.09	397.02	8.02	-58.07
O=C([O-])CC1COC(C[NH2+]CC2=CC=C3OC(=O)OC3=C2)C1	REAL300012079077	0	39	0.0	-83.07	323.93	7.36	-75.71
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OC2=CC=C(F)C(Cl)=C2)C1	REAL300012079078	0	48	0.0	-65.04	406.08	10.24	-54.80
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079079	0	51	0.0	-61.60	419.65	10.85	-50.75
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=CC=C2OC2=CC=CC(Cl)=C2)C1	REAL300012079080	0	48	0.0	-66.06	408.36	10.36	-55.70
CC1=C(Br)C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)S1	REAL300012079081	0	37	0.0	-68.12	328.40	7.35	-60.77
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C1	REAL300012079082	0	47	0.0	-70.05	387.11	10.74	-59.31
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC3=NC=CC=C23)C1	REAL300012079083	0	42	0.0	-73.69	332.27	7.07	-66.62
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(F)=C2I)C1	REAL300012079084	0	37	0.0	-68.49	322.44	7.88	-60.61
CCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1C	REAL300012079085	0	50	0.0	-68.09	389.10	8.59	-59.50
O=C([O-])CC1COC(C[NH2+]CC2=CC3=NC=CN=C3C=C2)C1	REAL300012079086	0	41	0.0	-75.43	332.22	5.23	-70.20
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1COC1=CC=CC=C1	REAL300012079087	0	55	0.0	-69.66	434.12	9.54	-60.12
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1CN1C=CC=N1	REAL300012079088	0	51	0.0	-73.45	408.27	7.81	-65.64
CCOC1=CC=CC(F)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079089	0	44	0.0	-59.54	351.50	7.12	-52.42
CC1=CC=C(Br)C(F)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079090	0	40	0.0	-68.76	338.23	8.00	-60.76
CC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=CC=C1[N+](=O)[O-]	REAL300012079091	0	42	0.0	-77.05	333.82	7.93	-69.12
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079092	0	45	0.0	-75.69	355.39	8.47	-67.22
COC1=CC=C(CN2C=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)N=N2)C=C1	REAL300012079093	0	50	0.0	-78.20	403.83	6.46	-71.74
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(F)=C1OC	REAL300012079094	0	45	0.0	-68.35	364.22	6.15	-62.20
COC(=O)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(F)=C1	REAL300012079095	0	43	0.0	-77.23	357.19	7.58	-69.65
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)C1	REAL300012079096	0	47	0.0	-68.44	382.82	7.19	-61.25
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)C1	REAL300012079097	0	51	0.0	-69.20	407.45	10.09	-59.11
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OCC(F)F)C1	REAL300012079098	0	44	0.0	-61.28	359.19	7.43	-53.85
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=CC=C2OC2=CC(F)=CC(F)=C2)C1	REAL300012079099	0	48	0.0	-67.84	404.45	9.96	-57.88
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079100	0	55	0.0	-60.11	435.90	10.29	-49.82
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=CC=C2OC2=CC=C(Cl)C=C2)C1	REAL300012079101	0	48	0.0	-64.93	405.79	10.20	-54.73
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079102	0	53	0.0	-70.29	410.96	9.80	-60.49
CC1=CC(C#N)=CC(C)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079103	0	44	0.0	-74.06	350.96	8.22	-65.84
O=C([O-])CC1COC(C[NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300012079104	0	43	0.0	-68.52	377.75	8.12	-60.40
COC1=CC=C(C2=NC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CS2)C=C1	REAL300012079105	0	47	0.0	-67.66	391.14	6.99	-60.67
CC1=C2C=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=NC2=NN1	REAL300012079107	0	42	0.0	-81.69	339.92	5.41	-76.28
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079108	0	45	0.0	-71.61	373.43	3.43	-68.18
CN1N=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C2=CC=CC=C21	REAL300012079109	0	43	0.0	-69.61	346.12	6.73	-62.88
CN1C(Cl)=NC(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079110	0	37	0.0	-75.04	328.70	6.09	-68.95
O=C([O-])CC1COC(C[NH2+]CC2=NC=CC3=CC=CC=C32)C1	REAL300012079111	0	42	0.0	-68.49	333.91	7.10	-61.39
CC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)N2C=CC=CC2=N1	REAL300012079112	0	43	0.0	-74.72	342.66	7.79	-66.93
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079113	1	57	0.0	-64.61	416.99	9.05	-55.56
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OCCN3C=CN=C3)C(Cl)=C2)C1	REAL300012079114	0	51	0.0	-75.18	425.45	10.21	-64.97
O=C([O-])CC1COC(C[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C1	REAL300012079115	0	43	0.0	-74.90	352.35	5.06	-69.84
CC1=NN2C(=NC(C)=C2C[NH2+]CC2CC(CC(=O)[O-])CO2)S1	REAL300012079116	0	42	0.0	-68.93	350.52	6.00	-62.93
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CC2CC(CC(=O)[O-])CO2)S1	REAL300012079117	0	48	0.0	-68.58	392.51	7.28	-61.30
CCCC(C[NH2+]CC1CC(CC(=O)[O-])CO1)C1=CC=CC=C1	REAL300012079118	0	49	0.0	-67.17	373.86	9.62	-57.55
O=C([O-])CC1COC(C[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C1	REAL300012079119	0	42	0.0	-58.43	349.92	7.75	-50.68
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C(F)(F)F)S2)C1	REAL300012079120	0	37	0.0	-72.19	327.04	7.12	-65.07
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(OCC2=CC=CN=C2)=C1	REAL300012079121	0	54	0.0	-64.89	430.38	7.67	-57.22
O=C([O-])CC1COC(C[NH2+]CC2=NC3=CC=C(Br)C=C3S2)C1	REAL300012079122	0	39	0.0	-67.78	349.14	6.88	-60.90
CN(C)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C(F)(F)F)=C1	REAL300012079123	0	48	0.0	-65.45	377.19	8.29	-57.16
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079124	0	47	0.0	-69.35	378.55	9.53	-59.82
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079125	0	46	0.0	-71.48	386.40	8.40	-63.08
O=C([O-])CC1COC(C[NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C1	REAL300012079126	0	56	0.0	-68.63	433.26	10.32	-58.31
O=C([O-])CC1COC(C[NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300012079127	0	40	0.0	-77.18	356.09	8.16	-69.02
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3=CC=CC=C3Br)N=N2)C1	REAL300012079128	1	43	0.0	-77.60	365.20	7.31	-70.29
O=C([O-])CC1COC(C[NH2+]CC2=CN3C=CC(Br)=CC3=N2)C1	REAL300012079129	0	40	0.0	-71.76	344.47	7.95	-63.81
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079130	0	48	0.0	-69.34	382.81	8.21	-61.13
COCC1=CC=CC=C1C=C(C)C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079131	0	51	0.0	-70.50	395.33	8.50	-62.00
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079132	0	47	0.0	-62.63	368.51	7.64	-54.99
O=C([O-])CC1COC(C[NH2+]CC2=CON=C2CC2=CC=CC=C2)C1	REAL300012079133	0	46	0.0	-76.61	371.58	8.54	-68.07
COC1=CC=C(N2C=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=N2)C=C1	REAL300012079134	0	48	0.0	-72.73	384.49	7.33	-65.40
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012079135	0	52	0.0	-65.72	416.42	10.18	-55.54
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C1	REAL300012079136	0	39	0.0	-76.03	335.59	4.79	-71.24
O=C([O-])CC1COC(C[NH2+]CC2=CC=NC=C2Br)C1	REAL300012079137	0	36	0.0	-65.12	307.86	5.59	-59.53
CS(=O)(=O)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)S1	REAL300012079138	0	40	0.0	-78.29	349.27	3.50	-74.79
O=C([O-])CC1COC(C[NH2+]CC2=C(C3=CC=CC=C3)N(C3CCCC3)N=C2)C1	REAL300012079139	0	57	0.0	-64.58	439.75	10.76	-53.82
O=C([O-])CC1COC(C[NH2+]CC2=CC=NN2C2=CC=CC=N2)C1	REAL300012079140	0	43	0.0	-66.16	348.35	7.51	-58.65
NS(=O)(=O)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(F)=C1	REAL300012079141	0	42	0.0	-79.70	356.65	1.88	-77.82
CC1=C(Br)C=NC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079142	0	39	0.0	-71.15	324.65	6.17	-64.98
CN1N=CC(C(F)(F)F)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079143	0	40	0.0	-73.61	333.80	5.40	-68.21
CN1N=CC(C2CCC2)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079144	0	47	0.0	-72.28	362.81	6.95	-65.33
CC1=C2C=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)NC2=CC=C1	REAL300012079145	0	44	0.0	-70.96	349.01	7.40	-63.56
O=C([O-])CC1COC(C[NH2+]CC2=CC=NN2C2=CC=NC=C2)C1	REAL300012079146	0	43	0.0	-74.32	347.39	5.96	-68.36
CC1=CC=C2C=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)NC2=C1	REAL300012079147	0	44	0.0	-70.37	349.43	7.42	-62.95
O=C([O-])CC1COC(C[NH2+]CC2=CC=NN2C2CCOCC2)C1	REAL300012079148	0	48	0.0	-74.08	371.83	5.44	-68.64
O=C([O-])CC1COC(C[NH2+]CC2=C(OC3=CC=C(F)C=C3)N=C3C=CC=CN32)C1	REAL300012079149	0	51	0.0	-75.63	415.17	9.94	-65.69
O=C([O-])CC1COC(C[NH2+]CC2=CC3=C(C=CNC3=O)O2)C1	REAL300012079150	0	40	0.0	-76.27	328.78	4.30	-71.97
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C(F)F)N=C2)C1	REAL300012079151	0	39	0.0	-74.09	324.20	5.93	-68.16
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079152	0	46	0.0	-68.78	368.00	7.25	-61.53
O=C([O-])CC1COC(C[NH2+]CC2=CN(CC3CCOC3)N=N2)C1	REAL300012079153	0	47	0.0	-77.32	368.40	4.27	-73.05
CC1=CC(C)=C(C=CC[NH2+]CC2CC(CC(=O)[O-])CO2)C(C)=C1	REAL300012079154	0	50	0.0	-68.87	386.84	10.04	-58.83
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)C1	REAL300012079155	0	57	0.0	-69.34	436.20	5.67	-63.67
CC(C)(C)OC(=O)NC(C[NH2+]CC1CC(CC(=O)[O-])CO1)CC(F)F	REAL300012079156	0	53	0.0	-77.34	403.40	5.71	-71.63
O=C([O-])CC1COC(C[NH2+]CC2=CN(CC3CCCO3)N=N2)C1	REAL300012079157	0	47	0.0	-74.02	371.18	4.40	-69.62
CN(C)C1=CC=C(F)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079158	0	45	0.0	-63.38	353.79	6.91	-56.47
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C1	REAL300012079159	0	42	0.0	-77.19	343.59	7.25	-69.94
CC1=CC(C)=C(C=CC[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1C	REAL300012079160	0	50	0.0	-67.03	383.09	9.84	-57.19
NS(=O)(=O)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012079161	0	42	0.0	-79.19	350.35	1.78	-77.41
O=C([O-])CC1COC(C[NH2+]CC2=NC=CC3=C2CCCC3)C1	REAL300012079162	0	46	0.0	-62.36	348.37	7.35	-55.01
CC1=NN(C)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1Cl	REAL300012079163	0	40	0.0	-72.13	335.26	5.47	-66.66
CN1C=CC(C2=NC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CS2)=N1	REAL300012079164	0	43	0.0	-73.08	365.78	5.28	-67.80
CN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2CCCC2)=N1	REAL300012079165	0	50	0.0	-69.80	384.48	7.72	-62.08
CC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1Br	REAL300012079166	0	40	0.0	-60.18	330.66	7.94	-52.24
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C1	REAL300012079167	0	48	0.0	-72.53	391.31	9.72	-62.81
O=C([O-])CC1COC(C[NH2+]CC2=CC=C3OCCCC3=C2)C1	REAL300012079168	0	45	0.0	-68.99	349.87	7.45	-61.54
CN(C)C(=O)C1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079169	0	47	0.0	-70.61	368.34	6.66	-63.95
CCC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(Cl)=NN1	REAL300012079170	0	40	0.0	-69.47	334.24	4.94	-64.53
O=C([O-])CC1COC(C[NH2+]CC2=C(C3CC3)NN=C2Cl)C1	REAL300012079171	0	41	0.0	-64.43	342.53	5.77	-58.66
CC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C2CCCCC2=N1	REAL300012079172	0	49	0.0	-71.96	368.73	8.00	-63.96
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2N2CCCCC2)C1	REAL300012079173	0	52	0.0	-60.60	389.96	8.86	-51.74
O=C([O-])CC1COC(C[NH2+]CC2=CSC(C(F)(F)F)=N2)C1	REAL300012079174	1	36	0.0	-69.77	322.50	5.00	-64.77
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C(F)F)C(F)=C2)C1	REAL300012079175	0	40	0.0	-78.09	335.60	7.79	-70.30
COC(=O)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1C	REAL300012079176	0	46	0.0	-75.03	367.00	8.01	-67.02
CC1=C(Cl)C=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1Cl	REAL300012079177	0	40	0.0	-64.22	341.66	8.27	-55.95
N#CC1=CC=C(Br)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079178	0	38	0.0	-70.39	332.38	7.78	-62.61
CC1CC2=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CC=C2O1	REAL300012079179	0	45	0.0	-69.43	353.05	7.41	-62.02
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC3=C2OC(=O)N3)C1	REAL300012079180	0	40	0.0	-69.70	327.93	4.31	-65.39
CSCC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012079181	0	44	0.0	-67.43	362.30	8.70	-58.73
O=C([O-])CC1COC(C[NH2+]CC2=CN(CC3CCC3)N=C2)C1	REAL300012079182	0	47	0.0	-67.79	368.42	7.56	-60.23
CN1N=C2CCOCC2=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079183	0	45	0.0	-75.21	351.47	4.42	-70.79
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079184	0	50	0.0	-61.06	398.47	8.37	-52.69
COC(=O)COC1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079185	0	47	0.0	-61.48	380.68	7.78	-53.70
CN1C=NC2=CC=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=C21	REAL300012079186	0	43	0.0	-73.66	334.58	8.06	-65.60
CN(C)C(=O)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012079187	0	47	0.0	-79.28	367.27	6.67	-72.61
CCNC(=O)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012079188	0	47	0.0	-78.03	374.13	5.94	-72.09
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079189	0	49	0.0	-61.42	349.57	9.59	-51.83
O=C([O-])CC1COC(C[NH2+]CC2=CN=C3CCCCCN23)C1	REAL300012079190	0	47	0.0	-69.18	352.25	7.21	-61.97
COC1=CC=C2SC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CC2=C1	REAL300012079191	0	44	0.0	-69.69	363.10	7.65	-62.04
CCN(CC)C(=O)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012079192	0	53	0.0	-76.03	408.43	8.59	-67.44
CCN1CCC2=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CC=C21	REAL300012079193	0	49	0.0	-67.49	375.47	7.44	-60.05
CCN(C)C(=O)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012079194	0	50	0.0	-76.55	389.04	7.67	-68.88
CSC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1Cl	REAL300012079195	0	41	0.0	-72.71	351.40	8.28	-64.43
CC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1C1CC1	REAL300012079196	0	47	0.0	-65.75	363.20	9.43	-56.32
CC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1C1CC1	REAL300012079197	0	47	0.0	-65.75	362.61	9.44	-56.31
CC1=NN(C2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C(C)=C2)C=C1	REAL300012079198	0	50	0.0	-73.68	391.85	9.14	-64.54
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300012079199	0	43	0.0	-72.20	367.38	8.69	-63.51
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079200	0	47	0.0	-72.40	386.54	9.12	-63.28
CCC1=CC(Br)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)S1	REAL300012079201	0	40	0.0	-60.64	349.22	8.04	-52.60
CC1=NN(C2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=C2)C=C1Cl	REAL300012079202	0	47	0.0	-73.46	393.08	9.10	-64.36
COC(=O)C1=CC2=C(C=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)O2)N1	REAL300012079203	0	44	0.0	-77.51	364.76	5.61	-71.90
COCCOC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)O1	REAL300012079204	0	45	0.0	-70.87	365.41	5.57	-65.30
CC(C)(C[NH2+]CC1CC(CC(=O)[O-])CO1)C1=CC=C(Br)C=C1	REAL300012079205	0	46	0.0	-69.09	366.18	9.24	-59.85
CC1=NN(C(C)C)C(C)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079206	0	49	0.0	-69.06	378.58	7.10	-61.96
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CC(Br)=C2)C1	REAL300012079207	0	37	0.0	-70.87	334.20	7.93	-62.94
CC1=CC=C(C2=CC=CC=C2C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C)=C1	REAL300012079208	0	53	0.0	-58.95	406.83	11.31	-47.64
COC1=CC=CC(C2=CSC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=N2)=C1	REAL300012079209	0	47	0.0	-68.38	388.75	6.88	-61.50
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012079210	0	57	0.0	-71.69	444.07	7.27	-64.42
COC(=O)C1=C2COCCN2C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079211	0	49	0.0	-76.62	389.58	6.18	-70.44
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)C1	REAL300012079212	0	54	0.0	-76.16	412.31	8.78	-67.38
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079213	0	47	0.0	-74.41	367.50	9.73	-64.68
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C(F)(F)F)C(Cl)=C2Cl)C1	REAL300012079214	0	40	0.0	-75.36	358.39	8.65	-66.71
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)C1	REAL300012079215	0	41	0.0	-63.89	352.39	5.73	-58.16
O=C([O-])CC1COC(C[NH2+]CC2=CN=C(C3CCOCC3)O2)C1	REAL300012079216	0	47	0.0	-71.55	368.45	3.28	-68.27
O=C([O-])CC1COC(C[NH2+]CC2=C(Cl)C=CC=C2Br)C1	REAL300012079217	0	37	0.0	-58.67	328.31	7.72	-50.95
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(F)C(Br)=C2F)C1	REAL300012079218	0	37	0.0	-75.12	327.03	7.51	-67.61
CC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C(C(C)(C)C)O1	REAL300012079219	0	49	0.0	-66.00	380.12	8.38	-57.62
O=C([O-])CC1COC(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)C1	REAL300012079220	0	46	0.0	-75.73	374.33	7.16	-68.57
CC(C)(C)OC(=O)N1CCC(C[NH2+]CC2CC(CC(=O)[O-])CO2)CC1	REAL300012079221	0	57	0.0	-73.29	420.53	7.94	-65.35
CC1=CC(Br)=CN=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079222	0	39	0.0	-68.62	329.56	6.12	-62.50
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)C1	REAL300012079223	0	43	0.0	-73.69	370.05	4.73	-68.96
CC1OC2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=C2C1C	REAL300012079224	0	48	0.0	-69.60	369.56	7.92	-61.68
CC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OC(F)F	REAL300012079225	0	44	0.0	-65.87	355.50	7.14	-58.73
CC1=NC(Cl)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1Br	REAL300012079226	0	39	0.0	-69.51	342.83	6.57	-62.94
CC(C)CC1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079227	0	49	0.0	-64.57	368.57	9.35	-55.22
CN1N=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1S(C)(=O)=O	REAL300012079228	1	43	0.0	-72.57	348.62	2.17	-70.40
CCOC1=CC(Br)=CC(F)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079229	0	44	0.0	-60.94	372.79	7.75	-53.19
CC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)NN=C1C(F)(F)F	REAL300012079230	0	40	0.0	-77.37	333.89	4.76	-72.61
O=C([O-])CC1COC(C[NH2+]CC2=CC(C(F)(F)F)=NN2)C1	REAL300012079231	0	37	0.0	-77.20	317.24	4.16	-73.04
CS(=O)(=O)C1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=CS1	REAL300012079232	1	40	0.0	-71.34	335.80	3.71	-67.63
CC1=C(Br)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C(C)S1	REAL300012079233	0	40	0.0	-64.00	345.02	7.78	-56.22
CN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2=CC=CC(F)=C2)=N1	REAL300012079234	0	47	0.0	-66.06	381.87	8.02	-58.04
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(CC3CC3)S2)C1	REAL300012079235	0	44	0.0	-65.05	361.37	9.06	-55.99
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC3CC3)C=C2)C1	REAL300012079236	0	45	0.0	-69.45	356.71	7.79	-61.66
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300012079237	0	41	0.0	-67.35	347.73	6.63	-60.72
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300012079238	0	43	0.0	-69.68	367.37	8.69	-60.99
CC1=NC=CN1C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C)=C1	REAL300012079239	0	50	0.0	-75.66	391.37	9.83	-65.83
CC1=C(C)N(C2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=C2)C=N1	REAL300012079240	0	50	0.0	-76.30	397.01	10.55	-65.75
CNC(=O)C1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079241	0	44	0.0	-70.15	352.65	5.09	-65.06
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C1	REAL300012079242	0	51	0.0	-66.33	391.13	10.84	-55.49
CCNC(=O)C1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079244	0	47	0.0	-69.74	374.14	5.93	-63.81
CC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)OC2=CC=C(F)C=C12	REAL300012079245	0	43	0.0	-71.88	350.86	8.04	-63.84
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079246	0	47	0.0	-75.11	376.25	7.93	-67.18
CC(C)(C)C1=CN=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079247	0	48	0.0	-70.23	367.57	7.31	-62.92
O=C([O-])CC1COC(C[NH2+]CC2=CC3=C(Br)C=CC=C3S2)C1	REAL300012079248	0	40	0.0	-67.26	354.00	8.93	-58.33
O=C([O-])CC1COC(C[NH2+]CC2=NN(CC(F)(F)F)C=C2)C1	REAL300012079249	0	40	0.0	-70.55	338.45	5.89	-64.66
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)C1	REAL300012079250	0	47	0.0	-66.17	368.87	8.85	-57.32
CN1C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=NC2=C1CCCC2	REAL300012079251	0	47	0.0	-71.09	359.76	7.50	-63.59
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2C2=CC=CC(Br)=C2)C1	REAL300012079252	0	44	0.0	-70.99	373.49	7.28	-63.71
COC1=NC(Cl)=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079253	0	40	0.0	-67.69	338.78	4.01	-63.68
CN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C(F)(F)F)=N1	REAL300012079254	0	40	0.0	-66.88	334.62	5.66	-61.22
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(C(F)F)=C2F)C1	REAL300012079255	0	40	0.0	-66.03	334.76	7.75	-58.28
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC3=C2COCC3)C1	REAL300012079256	0	45	0.0	-67.49	342.96	6.81	-60.68
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079257	0	50	0.0	-75.41	411.28	9.54	-65.87
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079258	0	44	0.0	-62.74	362.90	7.62	-55.12
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2C2=CC=C(Br)C=C2)C1	REAL300012079259	0	44	0.0	-73.34	373.87	7.29	-66.05
O=C([O-])CC1COC(C[NH2+]CC2=NC3=C(COCC3)S2)C1	REAL300012079260	0	41	0.0	-66.32	335.59	4.15	-62.17
O=C([O-])CC1COC(C[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C1	REAL300012079261	0	44	0.0	-72.13	358.60	6.73	-65.40
O=C([O-])CC1COC(C[NH2+]CC2=C(Br)C=CC=C2OC(F)F)C1	REAL300012079262	0	41	0.0	-62.83	352.17	6.93	-55.90
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C1	REAL300012079263	0	39	0.0	-82.00	330.80	7.55	-74.45
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3CCCCC3)N=C2)C1	REAL300012079264	0	50	0.0	-69.11	380.82	7.87	-61.24
O=C([O-])CC1COC(C[NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)C1	REAL300012079265	0	44	0.0	-67.67	370.04	8.29	-59.38
O=C([O-])CC1COC(C[NH2+]CC2=C(F)C=C(Br)C=C2F)C1	REAL300012079266	0	37	0.0	-64.34	328.73	7.57	-56.77
CN(CCO)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=N1	REAL300012079267	0	48	0.0	-69.98	375.75	4.38	-65.60
COC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=CC=C1C(C)(C)C	REAL300012079268	0	53	0.0	-61.93	389.55	8.55	-53.38
CN1C=C(Br)N=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079269	0	37	0.0	-74.68	317.53	5.67	-69.01
COC1=CC(C)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1O	REAL300012079270	0	45	0.0	-71.43	351.80	4.49	-66.94
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C1	REAL300012079271	0	43	0.0	-75.82	352.92	5.93	-69.89
CN1C(=O)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC2=CC=CC=C21	REAL300012079272	0	46	0.0	-72.07	362.65	7.60	-64.47
CC1=CC(C)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C)=C1Br	REAL300012079273	0	46	0.0	-67.89	366.48	8.93	-58.96
O=C([O-])CC1COC(C[NH2+]CC=CC2=CC=C3OCOC3=C2)C1	REAL300012079274	0	44	0.0	-72.71	353.28	6.77	-65.94
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(CC3CCC3)C=C2)C1	REAL300012079275	0	50	0.0	-65.03	387.24	10.33	-54.70
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012079276	0	47	0.0	-73.26	392.37	7.59	-65.67
O=C([O-])CC1COC(C[NH2+]CC2=C(F)C=CC(Cl)=C2F)C1	REAL300012079277	0	37	0.0	-64.17	322.98	7.36	-56.81
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079278	0	54	0.0	-73.17	417.98	7.06	-66.11
O=C([O-])CC1COC(C[NH2+]CC2=CC=NN2C2CC2(F)F)C1	REAL300012079279	0	41	0.0	-77.21	339.89	6.36	-70.85
CC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C(F)(F)F)=CO1	REAL300012079280	0	40	0.0	-62.34	334.56	6.59	-55.75
CC(F)(F)C1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079281	0	43	0.0	-68.49	349.38	8.34	-60.15
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300012079282	0	43	0.0	-71.40	359.10	7.59	-63.81
CN1C=C(C2=NNC=C2C[NH2+]CC2CC(CC(=O)[O-])CO2)C=N1	REAL300012079283	0	44	0.0	-72.38	356.58	4.50	-67.88
CCCN1N=C(C)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1Cl	REAL300012079284	0	46	0.0	-64.75	377.64	7.08	-57.67
CC(C)(C#N)C1=NC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)S1	REAL300012079285	0	43	0.0	-71.98	362.85	6.14	-65.84
COC1=CC=C(Br)C(F)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079286	0	41	0.0	-63.50	350.24	6.81	-56.69
N#CC1=CC(F)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(Br)=C1	REAL300012079287	0	38	0.0	-69.05	341.03	7.79	-61.26
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=CC(F)=C2F)C1	REAL300012079288	0	37	0.0	-73.42	315.12	7.05	-66.37
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C1	REAL300012079289	0	44	0.0	-68.20	361.74	9.24	-58.96
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C1	REAL300012079290	0	43	0.0	-70.07	353.84	9.45	-60.62
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Cl)C(Br)=C2F)C1	REAL300012079291	0	37	0.0	-73.99	336.15	7.92	-66.07
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OC2CCCCC2)C1	REAL300012079292	0	54	0.0	-60.26	405.74	9.65	-50.61
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300012079293	0	48	0.0	-70.78	401.59	10.18	-60.60
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C1	REAL300012079294	0	57	0.0	-67.88	426.36	10.33	-57.55
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OCC2=CC=C(Cl)C=C2)C1	REAL300012079295	0	51	0.0	-62.27	422.81	10.70	-51.57
COC1=CC=CC(OC2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=C2)=C1	REAL300012079296	0	52	0.0	-73.99	414.38	8.97	-65.02
CCN1CCCC2=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=CC=C21	REAL300012079297	0	52	0.0	-66.33	385.10	7.94	-58.39
COCC1=CN=C(OC)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079298	0	47	0.0	-67.59	376.09	3.35	-64.24
CN1N=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1Br	REAL300012079299	0	37	0.0	-67.70	319.61	5.11	-62.59
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012079300	0	52	0.0	-74.58	415.08	9.59	-64.99
COC1=C(Br)C=CC(F)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079301	0	41	0.0	-62.61	351.72	6.89	-55.72
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)C1	REAL300012079302	0	50	0.0	-71.99	405.29	11.53	-60.46
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C1	REAL300012079303	0	41	0.0	-70.57	352.57	8.27	-62.30
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OCC3=CC=C(Cl)C=C3)=C2)C1	REAL300012079304	0	51	0.0	-67.55	424.18	10.62	-56.93
O=C([O-])CC1COC(C[NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)C1	REAL300012079305	0	50	0.0	-72.09	390.05	7.56	-64.53
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Br)C=C2OC(F)F)C1	REAL300012079306	0	41	0.0	-70.02	355.36	7.09	-62.93
O=C([O-])CC1COC(C[NH2+]CC2=CC=C3CCOCC3=C2)C1	REAL300012079307	0	45	0.0	-68.27	349.81	6.88	-61.39
CC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)SC2=CC(F)=CC=C12	REAL300012079308	0	43	0.0	-70.59	356.87	8.91	-61.68
O=C([O-])CC1COC(C[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C1	REAL300012079309	0	43	0.0	-77.36	350.79	4.99	-72.37
COC1=CC=C(F)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1OC	REAL300012079310	0	45	0.0	-62.54	360.48	6.10	-56.44
COC1=CC(OC)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C2=NC(Cl)=CC=C12	REAL300012079311	0	50	0.0	-57.20	409.31	6.52	-50.68
CN1C=CC(C2=NNC=C2C[NH2+]CC2CC(CC(=O)[O-])CO2)=N1	REAL300012079312	0	44	0.0	-63.54	356.47	4.87	-58.67
CC1=CC=C(F)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1Br	REAL300012079313	0	40	0.0	-59.61	337.77	7.90	-51.71
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OCCC2CCCCC2)C1	REAL300012079314	0	60	0.0	-60.63	448.36	11.13	-49.50
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(OCC3CCC3)=C2)C1	REAL300012079315	0	51	0.0	-65.86	395.77	9.17	-56.69
CC(F)(F)C1=CC=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079316	0	43	0.0	-62.64	336.66	8.34	-54.30
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OCCO	REAL300012079317	0	49	0.0	-75.26	388.15	3.85	-71.41
CCN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2CC2)=N1	REAL300012079318	0	47	0.0	-69.09	372.52	7.67	-61.42
COC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1OCCO	REAL300012079319	0	49	0.0	-75.16	388.15	3.85	-71.31
CN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2=CC=NN2C)=N1	REAL300012079320	0	47	0.0	-68.83	381.68	5.72	-63.11
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CN=CC=C3C=C2)C1	REAL300012079321	0	42	0.0	-73.57	337.17	7.30	-66.27
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC=C1OCC1CCCO1	REAL300012079322	0	56	0.0	-75.38	433.85	7.44	-67.94
CC1=CC2=CC=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=C2O1	REAL300012079323	0	43	0.0	-63.80	345.41	7.96	-55.84
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C1	REAL300012079324	0	40	0.0	-71.30	329.96	7.91	-63.39
O=C([O-])CC1COC(C[NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)C1	REAL300012079325	0	44	0.0	-62.22	371.07	7.59	-54.63
COC1=CSC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1OC	REAL300012079326	0	42	0.0	-64.81	348.94	4.86	-59.95
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CN=C(C(F)F)S3)C=C2)C1	REAL300012079327	0	46	0.0	-73.96	392.88	8.58	-65.38
O=C([O-])CC1COC(C[NH2+]CC2=C(Br)C=CC3=C2OCO3)C1	REAL300012079328	0	40	0.0	-62.35	340.96	6.03	-56.32
CS(=O)(=O)C1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)SC=C1	REAL300012079329	1	40	0.0	-75.88	338.22	3.43	-72.45
CS(=O)(=O)C1=COC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079330	0	40	0.0	-76.83	339.99	2.41	-74.42
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C1	REAL300012079331	0	40	0.0	-72.08	339.43	7.86	-64.22
CC(C)OC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1F	REAL300012079332	0	47	0.0	-74.31	371.68	7.74	-66.57
CCN1C=C(Cl)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=N1	REAL300012079333	1	40	0.0	-62.78	337.14	5.88	-56.90
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(F)C(Cl)=C2F)C1	REAL300012079334	0	37	0.0	-75.04	322.77	7.41	-67.63
O=C([O-])CC1COC(C[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C1	REAL300012079335	0	43	0.0	-64.30	346.70	9.07	-55.23
CS(=O)(=O)C1=CSC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079336	0	40	0.0	-74.47	348.40	3.42	-71.05
CC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=NN1C1CCC1	REAL300012079337	0	47	0.0	-69.02	364.77	7.24	-61.78
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)C1	REAL300012079338	0	44	0.0	-71.54	371.73	8.55	-62.99
CC1=NN(C2CCCC2)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079339	0	50	0.0	-71.51	384.27	7.90	-63.61
O=C([O-])CC1COC(C[NH2+]CC2=CC=NN2CC(F)F)C1	REAL300012079340	0	40	0.0	-69.99	328.55	5.45	-64.54
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Br)C=C2OC2CC2)C1	REAL300012079341	0	45	0.0	-63.76	376.64	8.47	-55.29
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079342	0	47	0.0	-70.99	375.60	7.50	-63.49
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)C1	REAL300012079343	0	40	0.0	-70.36	337.68	8.28	-62.08
O=C([O-])CC1COC(C[NH2+]CC2=C(F)C=CC(Br)=C2Cl)C1	REAL300012079344	0	37	0.0	-62.99	334.93	7.81	-55.18
O=C([O-])CC1COC(C[NH2+]CC2=C(F)C=CN=C2Cl)C1	REAL300012079345	0	36	0.0	-64.29	310.69	5.43	-58.86
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C1	REAL300012079346	0	44	0.0	-71.95	361.41	8.09	-63.86
CN(C)C1=CN=CC(F)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079347	0	44	0.0	-62.06	350.00	4.91	-57.15
COC1=NC(C)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C)=C1Cl	REAL300012079348	0	46	0.0	-73.82	370.42	5.05	-68.77
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079349	1	46	0.0	-72.50	371.09	7.14	-65.36
O=C([O-])CC1COC(C[NH2+]CC2=NN(CC(F)F)C=C2)C1	REAL300012079350	0	40	0.0	-68.81	333.57	5.68	-63.13
O=C([O-])CC1COC(C[NH2+]CC2=NN(C3CC3(F)F)C=C2)C1	REAL300012079351	0	41	0.0	-71.00	342.09	6.26	-64.74
CC1=NN(C2CCCCC2)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079352	0	53	0.0	-67.80	401.24	8.40	-59.40
O=C([O-])CC1COC(C[NH2+]CC2=CN(C3CCOCC3)N=C2)C1	REAL300012079353	0	48	0.0	-68.47	371.61	5.47	-63.00
CC1=NN(C2CCOCC2)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079354	0	51	0.0	-68.77	391.24	6.05	-62.72
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=CC3=CC=CN=C32)C1	REAL300012079355	0	42	0.0	-65.03	357.93	8.02	-57.01
O=C([O-])CC1COC(C[NH2+]CC2=NN(C3CCCC3)C=C2)C1	REAL300012079356	0	47	0.0	-65.30	360.42	7.10	-58.20
NS(=O)(=O)C1=CSC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079357	0	39	0.0	-74.71	341.92	0.82	-73.89
O=C([O-])CC1COC(C[NH2+]CC2=NC=C(Cl)C=C2Cl)C1	REAL300012079358	0	36	0.0	-62.76	322.02	5.89	-56.87
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300012079359	0	52	0.0	-77.50	400.88	6.26	-71.24
CC1=NN(C2CCCC2)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079360	0	50	0.0	-67.89	382.28	7.79	-60.10
CC1=CC(Br)=C(F)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079361	0	40	0.0	-69.80	342.69	8.12	-61.68
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Br)C(Cl)=C2F)C1	REAL300012079362	0	37	0.0	-73.91	336.30	7.93	-65.98
COC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1Br	REAL300012079363	0	41	0.0	-61.91	341.02	6.71	-55.20
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(Cl)C(F)=C2F)C1	REAL300012079364	0	37	0.0	-75.48	323.20	7.42	-68.06
CN1C=C(C2=CC=CC(C[NH2+]CC3CC(CC(=O)[O-])CO3)=C2)C=N1	REAL300012079365	0	47	0.0	-70.36	376.30	8.11	-62.25
COC1=CC(F)=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1Br	REAL300012079366	0	41	0.0	-68.41	350.62	6.82	-61.59
O=C([O-])CC1COC(C[NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)C1	REAL300012079367	0	47	0.0	-87.08	382.73	9.22	-77.86
CC1=CC=C(Br)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079368	0	40	0.0	-67.88	332.26	8.06	-59.82
COC1=C(C#N)C=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079369	0	42	0.0	-75.98	345.91	6.65	-69.33
COC1=NC2=CC=C(C[NH2+]CC3CC(CC(=O)[O-])CO3)C=C2S1	REAL300012079370	0	43	0.0	-74.91	360.58	4.63	-70.28
O=C([O-])CC1COC(C[NH2+]CC2=CC=NC(Br)=C2)C1	REAL300012079371	0	36	0.0	-73.69	312.52	5.54	-68.15
O=C([O-])CC1COC(C[NH2+]CC2=CC(F)=CC(Cl)=C2Cl)C1	REAL300012079372	0	37	0.0	-70.82	331.13	7.86	-62.96
CC(C)(C)COC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079373	0	53	0.0	-65.63	407.96	9.15	-56.48
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=CC(Cl)=C2F)C1	REAL300012079374	0	37	0.0	-71.47	339.90	8.03	-63.44
COC1=CC(Cl)=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079375	0	41	0.0	-69.23	342.41	6.62	-62.61
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)C1	REAL300012079376	0	40	0.0	-71.42	347.74	8.16	-63.26
COC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CC(F)=C1F	REAL300012079377	0	41	0.0	-78.56	338.19	6.24	-72.32
CN1N=CC=C1C1=NNC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079378	0	44	0.0	-68.92	357.68	4.46	-64.46
COC(=O)C1=C(C)NC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1C	REAL300012079379	0	47	0.0	-75.09	379.86	6.50	-68.59
CC1=CC(Br)=CC(C)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079380	0	43	0.0	-68.29	350.63	8.49	-59.80
O=C([O-])CC1COC(C[NH2+]CC2=C(O)C=CC(F)=C2Br)C1	REAL300012079381	0	38	0.0	-63.42	329.64	4.54	-58.88
O=C([O-])CC1COC(C[NH2+]CC2=C(Cl)C=CC3=C2OCO3)C1	REAL300012079382	0	40	0.0	-63.02	336.93	5.96	-57.06
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300012079383	0	53	0.0	-65.11	398.03	10.62	-54.49
COC1=CC=CC=C1C=CC[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079384	0	45	0.0	-66.12	355.59	7.47	-58.65
CC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)SC(Br)=C1	REAL300012079385	0	37	0.0	-68.06	326.59	7.23	-60.83
CC1=NN(C2CCC2)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079386	0	47	0.0	-68.32	361.88	7.09	-61.23
CC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=NN1CC(F)F	REAL300012079387	0	43	0.0	-69.79	350.30	6.22	-63.57
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C1	REAL300012079388	0	45	0.0	-74.16	365.36	7.16	-67.00
CCCN1N=C(C)C(Cl)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079389	0	46	0.0	-71.56	378.56	7.09	-64.47
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079390	0	49	0.0	-75.59	394.31	8.90	-66.69
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079391	0	44	0.0	-75.61	359.48	6.07	-69.54
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C1	REAL300012079392	0	50	0.0	-66.66	398.97	11.28	-55.38
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2Br)C1	REAL300012079393	0	37	0.0	-69.52	344.69	8.38	-61.14
CCCCC(=O)NC1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012079394	0	53	0.0	-70.83	415.86	8.07	-62.76
CCN(C)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C)=C1	REAL300012079395	0	51	0.0	-64.08	384.29	8.78	-55.30
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=CN=C2Br)C1	REAL300012079396	0	36	0.0	-69.42	323.45	6.00	-63.42
O=C([O-])CC1COC(C[NH2+]CC2=C(Cl)C(Cl)=CS2)C1	REAL300012079397	0	34	0.0	-64.17	317.62	6.85	-57.32
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079398	0	58	0.0	-64.99	423.96	8.98	-56.01
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079399	0	48	0.0	-58.56	374.53	6.28	-52.28
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C1	REAL300012079400	0	41	0.0	-74.23	358.20	7.16	-67.07
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C1	REAL300012079401	0	47	0.0	-72.19	384.75	9.64	-62.55
O=C([O-])CC1COC(C[NH2+]CC2=CC=C3SC=CC3=C2)C1	REAL300012079402	0	40	0.0	-70.55	333.10	8.19	-62.36
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C1	REAL300012079403	0	46	0.0	-71.64	365.59	8.48	-63.16
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079404	0	59	0.0	-68.43	455.05	11.72	-56.71
CC1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1C(F)(F)F	REAL300012079405	0	43	0.0	-59.52	338.65	8.30	-51.22
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2Br)C1	REAL300012079406	0	40	0.0	-70.27	350.33	8.39	-61.88
CCC(C)C1=CC=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=C1	REAL300012079407	0	49	0.0	-65.08	374.84	9.41	-55.67
O=C([O-])CC1COC(C[NH2+]CC2=CC3=NC=C(Br)C=C3O2)C1	REAL300012079408	0	39	0.0	-74.18	340.12	6.12	-68.06
O=C([O-])CC1COC(C[NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)C1	REAL300012079409	0	42	0.0	-69.03	361.92	7.17	-61.86
O=C([O-])CC1COC(C[NH2+]CC2=CC3=C(CCOC3)N=C2Cl)C1	REAL300012079410	0	44	0.0	-72.40	357.07	5.47	-66.93
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC(Br)=CC=C3S2)C1	REAL300012079411	0	40	0.0	-69.70	354.82	8.97	-60.73
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079412	0	50	0.0	-72.33	396.86	9.40	-62.93
CC(F)(F)C1=CC=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=N1	REAL300012079413	0	42	0.0	-70.81	345.96	6.84	-63.97
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=CC(F)=C2F)C1	REAL300012079414	0	37	0.0	-72.47	330.01	7.60	-64.87
O=C([O-])CC1COC(C[NH2+]CC2=CC(Cl)=C(Br)C=C2F)C1	REAL300012079415	0	37	0.0	-70.25	336.84	7.93	-62.32
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC3=C2CCCC3)C1	REAL300012079416	0	47	0.0	-65.94	351.54	9.18	-56.76
O=C([O-])CC1COC(C[NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)C1	REAL300012079417	0	39	0.0	-80.65	345.68	8.10	-72.55
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079418	0	44	0.0	-71.72	356.68	8.79	-62.93
COC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=CC(Br)=C1F	REAL300012079419	0	41	0.0	-70.16	352.48	6.88	-63.28
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2F)C1	REAL300012079420	0	40	0.0	-68.07	339.66	7.84	-60.23
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C1	REAL300012079421	0	43	0.0	-78.63	348.54	6.73	-71.90
CC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C=CC2=CC=CC=C21	REAL300012079422	0	46	0.0	-67.74	353.14	9.56	-58.18
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079423	0	55	0.0	-67.63	421.34	8.46	-59.17
O=C([O-])CC1COC(C[NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)C1	REAL300012079424	0	43	0.0	-72.63	360.72	9.59	-63.04
COC1=C2C=CNC2=CC=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079425	0	45	0.0	-63.86	357.11	6.23	-57.63
O=C([O-])CC1COC(C[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C1	REAL300012079426	0	50	0.0	-68.81	385.18	3.94	-64.87
COC1=CC=C(OC)C(OC)=C1C[NH2+]CC1CC(CC(=O)[O-])CO1	REAL300012079427	0	49	0.0	-61.99	383.30	5.41	-56.58
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)C1	REAL300012079428	0	54	0.0	-57.71	404.49	8.66	-49.05
O=C([O-])CC1COC(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)C1	REAL300012079429	0	51	0.0	-65.73	409.80	10.34	-55.39
CC1=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C2=NC=CC=C2C=C1	REAL300012079430	0	45	0.0	-63.34	351.91	7.89	-55.45
CC1=CC(C[NH2+]CC2CC(CC(=O)[O-])CO2)=CN=C1N1C=CC=N1	REAL300012079431	0	46	0.0	-76.87	368.74	8.13	-68.74
COC(=O)C1=CN(C)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1	REAL300012079432	0	44	0.0	-73.56	358.09	6.94	-66.62
COC1=CC=C(Br)C(C[NH2+]CC2CC(CC(=O)[O-])CO2)=C1O	REAL300012079433	0	42	0.0	-61.90	353.17	4.48	-57.42
CN1C=C(C[NH2+]CC2CC(CC(=O)[O-])CO2)C(C2CCC2)=N1	REAL300012079434	0	47	0.0	-71.44	368.04	7.31	-64.13
CC1=CC=C(N2C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012079435	1	61	0.0	-35.24	449.75	11.53	-23.71
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300012079436	0	44	0.0	-38.70	348.12	7.52	-31.18
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012079437	0	57	0.0	-39.33	446.30	10.27	-29.06
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079438	0	49	0.0	-36.59	405.49	9.15	-27.44
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012079439	0	56	0.0	-33.00	441.29	11.68	-21.32
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012079440	0	51	0.0	-34.68	381.99	9.41	-25.27
CC(C)(C)OC[C@@H]([NH2+]CC1=CNN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012079441	0	46	0.0	-37.11	359.27	6.84	-30.27
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079443	0	49	0.0	-39.30	385.42	8.94	-30.36
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(CCC#N)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300012079444	0	53	0.0	-42.69	424.59	9.51	-33.18
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OC(F)F	REAL300012079445	0	47	0.0	-41.17	375.51	6.64	-34.53
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1)C(=O)[O-]	REAL300012079446	0	55	0.0	-33.39	436.91	9.94	-23.45
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1)C(=O)[O-]	REAL300012079447	1	46	0.0	-33.60	387.32	9.61	-23.99
CCCOC1=CC=C(Br)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079448	0	49	0.0	-34.83	399.78	8.87	-25.96
CCOC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OC	REAL300012079449	0	50	0.0	-38.45	387.60	7.28	-31.17
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1)C(=O)[O-]	REAL300012079450	0	53	0.0	-37.16	415.70	10.44	-26.72
CCCCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079451	0	55	0.0	-36.23	422.85	9.75	-26.48
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C(=O)[O-]	REAL300012079452	1	48	0.0	-38.33	394.23	9.64	-28.69
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1)C(=O)[O-]	REAL300012079453	1	48	0.0	-38.97	395.43	9.73	-29.24
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1Br	REAL300012079454	0	43	0.0	-35.49	355.70	7.06	-28.43
CC(C)OC1=CC=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079455	1	49	0.0	-36.31	374.93	8.07	-28.24
CCCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012079456	0	56	0.0	-39.30	429.38	8.79	-30.51
CCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012079457	0	53	0.0	-38.18	409.10	8.08	-30.10
C=CCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012079458	0	51	0.0	-38.13	399.29	7.80	-30.33
CCCCCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012079459	0	62	0.0	-39.63	473.60	10.42	-29.21
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1)C(=O)[O-]	REAL300012079460	1	46	0.0	-33.66	382.76	9.50	-24.16
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1)C(=O)[O-]	REAL300012079461	1	46	0.0	-34.09	384.11	9.61	-24.48
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1)C(=O)[O-]	REAL300012079462	1	46	0.0	-34.32	388.54	9.67	-24.65
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C(=O)[O-]	REAL300012079463	0	46	0.0	-33.91	390.36	10.39	-23.52
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012079464	0	49	0.0	-36.39	390.03	8.76	-27.63
CCC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C2=CC=CC=C2O1	REAL300012079465	1	48	0.0	-32.90	376.76	9.06	-23.84
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1)C(=O)[O-]	REAL300012079466	1	48	0.0	-39.18	390.14	10.26	-28.92
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300012079468	0	43	0.0	-39.37	351.64	7.02	-32.35
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012079469	0	43	0.0	-35.49	362.18	8.56	-26.93
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012079470	0	46	0.0	-29.61	366.01	4.85	-24.76
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(Cl)=C1	REAL300012079471	0	43	0.0	-37.44	345.66	6.77	-30.67
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300012079472	0	43	0.0	-36.63	353.00	6.96	-29.67
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1)C(=O)[O-]	REAL300012079473	0	48	0.0	-39.39	403.03	10.61	-28.78
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C(=O)[O-]	REAL300012079474	0	48	0.0	-38.62	403.55	10.67	-27.95
CC(C)(C)OC[C@@H]([NH2+]CC1=CNN=C1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300012079475	0	46	0.0	-33.05	368.70	7.02	-26.03
CC1=CC=C(C2=NNC=C2C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079476	0	49	0.0	-32.30	384.94	7.71	-24.59
CC(C)(C)OC[C@@H]([NH2+]CC1=CNN=C1C1=CC=CS1)C(=O)[O-]	REAL300012079477	1	43	0.0	-37.65	342.11	5.98	-31.67
COC1=CC=C(C2=NNC=C2C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079478	0	50	0.0	-40.91	392.23	6.29	-34.62
CC(C)(C)OC[C@@H]([NH2+]CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012079479	0	42	0.0	-35.76	343.41	8.52	-27.24
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300012079481	0	45	0.0	-36.86	351.82	7.59	-29.27
CC1=CC=C(C2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])O2)C=C1	REAL300012079482	1	49	0.0	-33.19	387.43	9.67	-23.52
CC1=CC=C(C2=NNC=C2C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])O1	REAL300012079483	0	46	0.0	-39.39	361.81	6.59	-32.80
CC(C)(C)OC[C@@H]([NH2+]CC1=CNN=C1C1=CC=CN=C1)C(=O)[O-]	REAL300012079484	0	45	0.0	-41.64	353.90	5.01	-36.63
CC(C)(C)OC[C@@H]([NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300012079485	0	52	0.0	-42.15	407.27	6.14	-36.01
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OCC2CCCO2)C=C1)C(=O)[O-]	REAL300012079486	0	54	0.0	-39.70	414.11	7.69	-32.01
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300012079487	0	46	0.0	-34.82	381.25	10.01	-24.81
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300012079488	0	44	0.0	-39.56	346.86	7.68	-31.88
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1)C(=O)[O-]	REAL300012079489	0	52	0.0	-34.81	404.91	8.62	-26.19
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079490	0	48	0.0	-32.23	377.86	6.16	-26.07
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300012079491	0	46	0.0	-43.19	364.14	8.29	-34.90
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(N2C=NC=N2)C=C1)C(=O)[O-]	REAL300012079492	0	45	0.0	-45.75	360.29	9.69	-36.06
CC(C)N1N=CC2=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C(Cl)N=C21	REAL300012079493	0	50	0.0	-32.56	405.87	8.26	-24.30
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300012079494	0	46	0.0	-34.23	391.76	10.46	-23.77
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012079495	0	56	0.0	-40.84	441.18	8.50	-32.34
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2F)S1)C(=O)[O-]	REAL300012079496	0	46	0.0	-35.13	384.20	10.12	-25.01
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300012079497	0	42	0.0	-31.87	356.38	8.56	-23.31
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300012079498	0	39	0.0	-37.78	325.14	7.65	-30.13
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300012079499	0	39	0.0	-36.40	328.38	7.64	-28.76
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300012079500	0	42	0.0	-37.32	350.11	8.14	-29.18
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300012079501	0	39	0.0	-34.23	335.50	8.09	-26.14
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300012079502	0	42	0.0	-40.37	340.75	8.22	-32.15
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300012079503	0	39	0.0	-41.46	326.01	7.35	-34.11
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012079504	0	42	0.0	-37.56	351.25	8.16	-29.40
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300012079505	0	42	0.0	-34.11	350.27	8.20	-25.91
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(Cl)=C1OC	REAL300012079506	0	47	0.0	-41.42	380.69	6.92	-34.50
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300012079507	0	42	0.0	-33.16	343.17	8.62	-24.54
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012079508	0	39	0.0	-36.41	328.38	7.65	-28.76
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300012079510	0	43	0.0	-34.69	360.41	7.24	-27.45
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300012079511	0	46	0.0	-33.94	391.58	10.45	-23.49
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=CC(C#N)=C2)=C1)C(=O)[O-]	REAL300012079512	0	54	0.0	-43.06	437.95	10.76	-32.30
CC(C)(C)OC[C@@H]([NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300012079513	0	49	0.0	-40.59	385.32	5.50	-35.09
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012079514	0	50	0.0	-39.93	405.96	7.68	-32.25
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300012079515	0	52	0.0	-40.73	411.93	8.59	-32.14
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300012079516	0	45	0.0	-38.90	370.64	6.90	-32.00
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C(=O)[O-]	REAL300012079517	0	49	0.0	-46.29	406.52	9.32	-36.97
COCCOC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079519	0	50	0.0	-41.34	391.99	6.66	-34.68
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1Cl	REAL300012079520	0	43	0.0	-36.21	352.53	7.01	-29.20
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)N=C1)C(=O)[O-]	REAL300012079523	0	55	0.0	-47.26	425.12	7.09	-40.17
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C(=O)[O-]	REAL300012079524	0	46	0.0	-41.71	377.93	7.85	-33.86
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300012079525	0	45	0.0	-37.65	348.71	6.31	-31.34
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300012079526	0	48	0.0	-40.78	366.85	7.18	-33.60
CCCOC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079528	0	49	0.0	-38.19	378.64	8.12	-30.07
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300012079529	0	46	0.0	-34.57	371.83	9.67	-24.90
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C(=O)[O-]	REAL300012079530	0	53	0.0	-35.85	401.09	9.35	-26.50
CC(C)OC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079531	0	49	0.0	-38.30	375.06	7.94	-30.36
CN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012079532	1	52	0.0	-42.34	411.75	9.58	-32.76
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C(=O)[O-]	REAL300012079535	0	53	0.0	-38.55	420.77	10.53	-28.02
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300012079542	0	46	0.0	-34.06	380.04	9.93	-24.13
CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079543	0	53	0.0	-49.26	413.63	8.03	-41.23
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OC1CCCC1)C(=O)[O-]	REAL300012079544	0	53	0.0	-36.48	400.71	9.43	-27.05
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079545	0	56	0.0	-34.03	433.27	7.88	-26.15
CC1=CC=C(C2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])S2)C=C1	REAL300012079546	0	49	0.0	-33.89	396.25	10.62	-23.27
CC(C)(C)OC[C@@H]([NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F)C(=O)[O-]	REAL300012079547	0	45	0.0	-37.99	373.10	7.46	-30.53
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079548	0	43	0.0	-35.09	369.31	7.60	-27.49
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300012079549	0	39	0.0	-34.07	340.07	8.20	-25.87
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300012079550	0	39	0.0	-32.73	334.95	8.05	-24.68
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)C(=O)[O-]	REAL300012079551	0	50	0.0	-36.40	407.31	10.09	-26.31
CCOC1=C(OC)C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012079552	0	54	0.0	-39.92	419.54	7.15	-32.77
COCCCOC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079553	0	53	0.0	-40.43	412.32	7.19	-33.24
CC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CN=C1Cl	REAL300012079554	0	41	0.0	-41.12	337.50	6.39	-34.73
COC1=CC=C(OC(F)F)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079555	0	47	0.0	-35.14	373.15	6.01	-29.13
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(Br)=C1OC(F)F)C(=O)[O-]	REAL300012079556	0	43	0.0	-37.48	362.78	7.38	-30.10
CC(C)(C)OC[C@@H]([NH2+]CC1=C(Cl)C=CC=C1OC(F)F)C(=O)[O-]	REAL300012079557	0	43	0.0	-30.70	357.75	7.14	-23.56
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012079558	0	59	0.0	-40.52	461.26	11.99	-28.53
CC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012079559	0	52	0.0	-39.34	410.16	8.86	-30.48
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1)C(=O)[O-]	REAL300012079560	0	57	0.0	-47.56	447.16	8.38	-39.18
CC1=CC=C(C2=NC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])S2)C=C1	REAL300012079561	1	48	0.0	-35.64	392.21	8.80	-26.84
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012079562	0	44	0.0	-36.99	363.52	8.19	-28.80
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(F)C2=CC=CN=C12)C(=O)[O-]	REAL300012079563	0	44	0.0	-39.57	352.41	7.73	-31.84
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012079564	0	44	0.0	-36.85	351.99	7.70	-29.15
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Cl)C2=CC=CN=C12)C(=O)[O-]	REAL300012079565	0	44	0.0	-39.11	361.26	8.11	-31.00
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])O1	REAL300012079567	1	49	0.0	-33.68	392.98	9.73	-23.95
CCC1=CC=C(C2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])O2)C=C1	REAL300012079568	1	52	0.0	-33.39	410.13	10.49	-22.90
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(OC(F)F)=C1	REAL300012079569	0	47	0.0	-39.67	374.36	6.09	-33.58
COC1=CC=C2OC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC2=C1	REAL300012079570	1	46	0.0	-35.98	364.35	6.97	-29.01
CC(C)(C)OC[C@@H]([NH2+]CC=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012079571	0	43	0.0	-39.30	354.77	8.97	-30.33
CC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C2=CC=CC=C2O1	REAL300012079572	1	45	0.0	-32.72	352.99	8.20	-24.52
CC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1Br	REAL300012079574	0	42	0.0	-37.98	345.28	8.28	-29.70
CC(C)(C)OC[C@@H]([NH2+]CC=CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012079575	0	43	0.0	-43.38	348.74	8.49	-34.89
CC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1Br	REAL300012079576	0	42	0.0	-36.59	346.50	8.35	-28.24
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CC2=C1OCC2)C(=O)[O-]	REAL300012079578	0	44	0.0	-37.04	359.51	7.48	-29.56
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=C(F)C=CC=C2N1)C(=O)[O-]	REAL300012079579	0	43	0.0	-35.79	344.18	7.10	-28.69
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC=C(F)C=C2N1)C(=O)[O-]	REAL300012079580	0	43	0.0	-37.36	344.08	7.11	-30.25
CC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC2=CC=CN=C12	REAL300012079581	0	47	0.0	-41.06	368.23	8.35	-32.71
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300012079582	1	41	0.0	-38.94	337.66	6.57	-32.37
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C(=O)[O-]	REAL300012079583	1	58	0.0	-33.13	443.36	11.37	-21.76
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079584	0	59	0.0	-30.69	433.11	9.64	-21.05
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079585	0	59	0.0	-32.80	447.66	10.28	-22.52
CC1=CC=CC(COC2=C(C)C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C2C)=C1	REAL300012079586	0	62	0.0	-37.64	483.77	12.73	-24.91
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1C	REAL300012079587	0	62	0.0	-36.98	475.03	12.58	-24.40
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079588	0	57	0.0	-36.86	441.82	11.93	-24.93
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079589	0	55	0.0	-35.34	445.91	10.29	-25.05
CCN(CC)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1F	REAL300012079590	0	53	0.0	-35.77	407.47	8.33	-27.44
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C(SC)C=C1OC	REAL300012079591	0	51	0.0	-36.46	397.27	7.14	-29.32
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1C#N	REAL300012079594	0	44	0.0	-40.24	355.50	6.81	-33.43
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(SC(F)F)C=C1)C(=O)[O-]	REAL300012079595	0	43	0.0	-39.17	356.82	8.43	-30.74
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079596	0	45	0.0	-32.67	353.85	8.59	-24.08
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300012079597	0	43	0.0	-39.49	352.48	6.81	-32.68
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079598	0	45	0.0	-35.90	357.55	8.68	-27.22
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC(Cl)=C1OC	REAL300012079599	0	47	0.0	-40.96	384.50	6.92	-34.04
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=CC=C1OC(F)F)C(=O)[O-]	REAL300012079600	0	43	0.0	-35.01	366.19	7.41	-27.60
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079601	0	55	0.0	-36.22	447.27	10.32	-25.90
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OCC(C)C	REAL300012079602	0	56	0.0	-37.55	427.99	8.69	-28.86
CCCOC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OC	REAL300012079603	0	53	0.0	-37.65	407.89	8.01	-29.64
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Br)S1)C(=O)[O-]	REAL300012079604	1	36	0.0	-33.26	318.90	7.00	-26.26
CCOC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC(Cl)=C1OC	REAL300012079605	0	50	0.0	-36.87	406.35	7.85	-29.02
C=CCOC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079606	0	47	0.0	-39.05	371.26	7.97	-31.08
COC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1OC(C)C	REAL300012079607	0	53	0.0	-30.95	398.55	8.37	-22.58
CCOC1=C(Cl)C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012079608	0	50	0.0	-36.95	406.34	7.89	-29.06
CCCOC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=CC=C1OCC	REAL300012079609	0	56	0.0	-36.64	431.18	9.15	-27.49
CCCCOC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OC	REAL300012079610	0	56	0.0	-38.15	430.60	8.86	-29.29
CCCOC1=C(Cl)C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OCC	REAL300012079611	0	56	0.0	-37.07	450.92	9.67	-27.40
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC(F)F	REAL300012079613	0	47	0.0	-35.95	375.50	6.65	-29.30
CCOC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OC(F)F	REAL300012079614	0	50	0.0	-40.56	396.15	7.49	-33.07
CC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012079615	0	49	0.0	-38.16	383.10	8.09	-30.07
CCOC1=CC2=C(C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])OC(C)C2	REAL300012079616	0	54	0.0	-35.76	413.88	8.04	-27.72
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC2=C1OCCO2	REAL300012079617	0	49	0.0	-41.92	380.70	6.19	-35.73
CCCCN1N=C(C)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1Cl	REAL300012079619	0	51	0.0	-35.38	409.95	8.21	-27.17
CCOC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1OC(F)F	REAL300012079620	0	50	0.0	-36.92	394.09	7.70	-29.22
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1)C(=O)[O-]	REAL300012079621	0	57	0.0	-49.10	439.76	9.26	-39.84
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012079622	0	46	0.0	-33.52	373.63	9.87	-23.65
CCCOC1=C(Cl)C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012079623	0	53	0.0	-36.79	427.84	8.69	-28.10
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C(C)(C)C)C(=O)[O-]	REAL300012079624	1	61	0.0	-36.48	453.94	11.36	-25.12
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1)C(=O)[O-]	REAL300012079625	1	46	0.0	-36.84	380.73	9.16	-27.68
CN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012079626	1	55	0.0	-37.46	410.64	8.59	-28.87
CC(CCC1=CC=CC=C1)C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079627	0	51	0.0	-37.39	386.02	10.02	-27.37
CCC1=CC=CC(Cl)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079629	0	45	0.0	-33.70	354.45	8.74	-24.96
CC1=C(C)C=C2OC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC2=C1	REAL300012079630	1	48	0.0	-33.47	372.65	8.84	-24.63
CC(C)(C)OC[C@@H]([NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012079631	0	46	0.0	-33.01	380.20	7.55	-25.46
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(N2C=CN=C2)C=C1)C(=O)[O-]	REAL300012079632	0	46	0.0	-41.49	361.74	9.48	-32.01
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2F)O1)C(=O)[O-]	REAL300012079633	1	46	0.0	-34.95	375.66	9.17	-25.78
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=C2OCCOC2=C1)C(=O)[O-]	REAL300012079634	0	45	0.0	-39.06	366.26	6.78	-32.28
CCCCC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C2=CC=CC=C2O1	REAL300012079635	1	54	0.0	-32.70	419.76	10.62	-22.08
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300012079636	0	52	0.0	-43.07	413.87	11.83	-31.24
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012079637	0	54	0.0	-39.69	437.75	9.41	-30.28
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079638	0	52	0.0	-35.19	407.54	9.22	-25.97
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300012079639	0	48	0.0	-40.10	385.88	7.64	-32.46
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C(=O)[O-]	REAL300012079640	0	53	0.0	-38.69	431.43	11.02	-27.67
CC(C)(C)OC[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300012079641	0	48	0.0	-38.44	364.17	8.35	-30.09
CC(C)C1CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])CCO1	REAL300012079642	0	52	0.0	-39.83	370.26	6.95	-32.88
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300012079643	0	46	0.0	-39.68	384.15	7.93	-31.75
CCSC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079646	0	46	0.0	-38.87	368.68	9.02	-29.85
CC(C)(C)OC[C@@H]([NH2+]CC1=C(O)C=CC(Cl)=C1F)C(=O)[O-]	REAL300012079647	1	40	0.0	-42.21	336.95	4.81	-37.40
COCCC1(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])CCCCC1	REAL300012079649	0	55	0.0	-35.32	384.13	7.30	-28.02
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=C(Cl)S1)C(=O)[O-]	REAL300012079650	0	36	0.0	-35.49	334.73	7.46	-28.03
CCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079651	0	49	0.0	-36.27	379.85	8.19	-28.08
COC1=CC=C(C2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012079652	1	52	0.0	-39.95	420.81	9.63	-30.32
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1)C(=O)[O-]	REAL300012079653	1	46	0.0	-34.66	399.13	10.01	-24.65
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079654	0	52	0.0	-36.18	425.85	9.64	-26.54
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)O1)C(=O)[O-]	REAL300012079655	1	46	0.0	-33.67	367.25	9.05	-24.62
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OC(C)C	REAL300012079656	0	53	0.0	-37.84	404.31	7.82	-30.02
CCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OCC	REAL300012079657	0	56	0.0	-37.53	429.74	8.93	-28.60
CC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012079658	0	44	0.0	-37.75	351.19	8.35	-29.40
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079659	0	52	0.0	-36.30	431.06	9.64	-26.66
CC(C)OC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079660	0	49	0.0	-37.29	376.28	8.01	-29.28
CCCCCCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079661	0	61	0.0	-35.75	464.63	11.25	-24.50
CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012079662	0	60	0.0	-36.48	438.71	11.47	-25.01
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1N1CCOCC1)C(=O)[O-]	REAL300012079664	0	52	0.0	-34.63	390.25	6.67	-27.96
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300012079665	0	39	0.0	-33.21	324.61	7.60	-25.61
CC(C)CC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079666	0	51	0.0	-34.69	386.93	9.78	-24.91
CC1=CC=C(C2=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C2)C=C1	REAL300012079667	0	52	0.0	-35.69	401.40	11.18	-24.51
COC1=CC=C(Br)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079668	0	43	0.0	-30.70	351.91	7.03	-23.67
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012079669	0	45	0.0	-40.56	361.31	7.83	-32.73
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012079670	0	39	0.0	-36.10	339.25	8.10	-28.00
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300012079671	0	39	0.0	-36.63	328.93	7.66	-28.97
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079673	0	52	0.0	-37.64	401.86	11.18	-26.46
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012079674	0	45	0.0	-39.30	384.79	9.17	-30.13
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300012079675	0	43	0.0	-39.36	345.04	6.68	-32.68
CCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OCC	REAL300012079676	0	53	0.0	-38.26	409.46	8.20	-30.06
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300012079677	0	39	0.0	-40.01	328.09	7.64	-32.37
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300012079678	0	42	0.0	-37.07	358.89	8.57	-28.50
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300012079679	0	39	0.0	-36.27	324.61	7.59	-28.68
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300012079680	0	43	0.0	-39.42	353.00	6.95	-32.47
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300012079681	0	39	0.0	-36.98	328.09	7.64	-29.34
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079682	0	53	0.0	-37.28	415.21	10.22	-27.06
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)C(=O)[O-]	REAL300012079683	1	49	0.0	-34.29	405.07	9.98	-24.31
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300012079684	0	39	0.0	-42.34	327.54	7.64	-34.70
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C2=CC=CC=C12	REAL300012079685	0	49	0.0	-36.65	372.90	8.55	-28.10
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(Br)=C1O	REAL300012079688	0	44	0.0	-39.61	357.55	4.70	-34.91
CC(C)(C)OC[C@@H]([NH2+]CC1=CSC(Br)=C1)C(=O)[O-]	REAL300012079689	0	36	0.0	-34.48	318.66	6.84	-27.64
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012079690	0	56	0.0	-42.75	442.35	8.55	-34.20
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1)C(=O)[O-]	REAL300012079691	0	52	0.0	-39.60	428.47	9.23	-30.37
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012079692	0	57	0.0	-34.27	432.36	9.49	-24.78
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012079693	0	49	0.0	-36.16	381.22	10.57	-25.59
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1)C(=O)[O-]	REAL300012079694	0	52	0.0	-40.31	411.74	8.72	-31.59
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(N2CCCC2)N=C1)C(=O)[O-]	REAL300012079695	0	50	0.0	-36.38	380.92	7.07	-29.31
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300012079696	0	39	0.0	-36.84	334.01	7.83	-29.01
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012079697	0	48	0.0	-34.81	378.72	9.04	-25.77
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C(=O)[O-]	REAL300012079698	0	48	0.0	-41.23	376.23	8.80	-32.43
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C(=O)[O-]	REAL300012079699	0	48	0.0	-39.54	375.21	8.74	-30.80
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079700	1	54	0.0	-33.62	401.00	7.70	-25.92
CN1CCN(C2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C2)CC1	REAL300012079701	1	56	0.0	-35.91	415.00	5.80	-30.11
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C(=O)[O-]	REAL300012079702	0	48	0.0	-40.17	387.12	5.59	-34.58
CNC(=O)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079703	0	46	0.0	-45.90	362.25	5.38	-40.52
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300012079704	0	46	0.0	-42.36	372.24	8.44	-33.92
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079705	0	52	0.0	-35.35	419.07	9.75	-25.60
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300012079706	0	46	0.0	-41.79	382.56	8.89	-32.90
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079707	0	52	0.0	-43.50	417.98	9.51	-33.99
CC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012079708	0	58	0.0	-38.50	451.61	10.19	-28.31
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300012079709	0	46	0.0	-38.19	377.93	7.85	-30.34
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300012079710	0	45	0.0	-37.00	353.11	9.41	-27.59
COC1=C2OC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC2=CC=C1	REAL300012079711	1	46	0.0	-34.98	364.38	6.98	-28.00
CC(C)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012079712	0	50	0.0	-48.35	392.09	9.66	-38.69
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=C2OCOC2=C1)C(=O)[O-]	REAL300012079713	0	42	0.0	-39.35	353.14	6.36	-32.99
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079714	0	55	0.0	-34.35	426.95	9.67	-24.68
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079715	0	55	0.0	-34.56	440.98	10.10	-24.46
CCOC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OCC(C)C	REAL300012079716	0	59	0.0	-37.83	451.06	9.68	-28.15
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300012079717	0	39	0.0	-36.69	332.65	7.73	-28.96
COC1=CC(Br)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012079718	0	47	0.0	-30.62	379.89	6.87	-23.75
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300012079719	0	39	0.0	-39.98	332.65	7.74	-32.24
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC(OC)=C1	REAL300012079720	0	47	0.0	-37.50	366.00	5.77	-31.73
COC1=CC2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C2C=C1	REAL300012079721	0	49	0.0	-37.31	381.24	8.65	-28.66
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=CS1)C(=O)[O-]	REAL300012079723	1	36	0.0	-34.73	317.48	6.82	-27.91
CCCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OCC	REAL300012079724	0	59	0.0	-39.09	451.24	9.71	-29.38
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079725	0	52	0.0	-39.58	404.70	9.28	-30.30
COC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1OC(F)F	REAL300012079726	0	47	0.0	-38.10	373.99	6.72	-31.38
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1)C(=O)[O-]	REAL300012079728	0	59	0.0	-31.51	444.50	10.48	-21.03
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC=CC=C2NC1=O)C(=O)[O-]	REAL300012079729	0	45	0.0	-31.38	357.35	6.21	-25.17
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300012079731	0	39	0.0	-36.58	334.01	7.82	-28.76
CC1=CC=C(COC2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C2)C=C1	REAL300012079732	0	56	0.0	-38.94	439.67	11.12	-27.82
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(N2CCCCC2)C=C1)C(=O)[O-]	REAL300012079733	0	54	0.0	-35.86	399.94	8.45	-27.41
CCCCCCOC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079734	0	58	0.0	-38.19	443.14	10.46	-27.73
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1SC	REAL300012079735	0	47	0.0	-38.19	375.92	7.51	-30.68
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OCCCC#N)=C1)C(=O)[O-]	REAL300012079736	0	50	0.0	-46.21	400.71	8.70	-37.51
CCCCCOC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OC	REAL300012079737	0	59	0.0	-37.74	450.88	9.58	-28.16
CCC(C)OC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OC	REAL300012079738	0	56	0.0	-37.99	426.29	8.69	-29.30
CCCCCCCOC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079739	0	61	0.0	-38.52	465.85	11.31	-27.21
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OCCCC#N	REAL300012079740	0	54	0.0	-48.64	429.95	8.60	-40.04
C=C(C)COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OC	REAL300012079741	0	54	0.0	-38.97	419.92	8.64	-30.33
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OCCC(C)C	REAL300012079742	0	59	0.0	-37.63	446.95	9.32	-28.31
C=CCC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC(OC)=C1O	REAL300012079743	0	51	0.0	-39.18	401.87	6.31	-32.87
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C(=O)[O-]	REAL300012079744	1	46	0.0	-38.77	366.40	7.08	-31.69
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079745	0	48	0.0	-37.87	383.99	8.06	-29.81
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079746	0	49	0.0	-39.21	404.41	5.68	-33.53
CCOC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012079747	0	53	0.0	-40.35	429.03	8.66	-31.69
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1)C(=O)[O-]	REAL300012079750	0	52	0.0	-37.42	401.05	6.29	-31.13
CN1C=NC2=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C21	REAL300012079751	0	45	0.0	-45.09	355.39	8.50	-36.59
C=CCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1Cl	REAL300012079752	0	47	0.0	-36.11	387.29	8.52	-27.59
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012079753	1	45	0.0	-35.76	370.81	8.11	-27.65
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012079754	0	51	0.0	-38.46	393.43	7.03	-31.43
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300012079755	0	50	0.0	-37.29	384.41	8.41	-28.88
CC1=CC=CC(C2=NNC=C2C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079758	0	49	0.0	-38.05	383.81	7.64	-30.41
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012079759	0	42	0.0	-36.74	361.25	8.58	-28.16
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012079760	0	42	0.0	-36.79	366.14	8.70	-28.09
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300012079761	0	39	0.0	-37.04	340.05	8.20	-28.84
CC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(Br)=C1	REAL300012079762	0	42	0.0	-34.36	339.62	8.19	-26.17
CC(C)COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079763	0	52	0.0	-36.11	399.96	8.88	-27.23
COCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079764	0	50	0.0	-37.50	390.77	6.59	-30.91
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1)C(=O)[O-]	REAL300012079765	0	54	0.0	-39.84	435.74	10.86	-28.98
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300012079766	0	43	0.0	-38.59	362.29	7.28	-31.31
CN1N=C(C2=CC=CC=C2)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1Cl	REAL300012079768	0	49	0.0	-31.68	400.51	8.58	-23.10
COC1=CC2=C(C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])OCO2	REAL300012079769	0	46	0.0	-37.43	359.95	5.12	-32.31
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=CC2=CC=CC=C21)C(=O)[O-]	REAL300012079770	0	44	0.0	-34.53	338.35	7.34	-27.19
CC(C)COC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079771	0	52	0.0	-38.40	399.96	8.88	-29.52
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012079772	0	38	0.0	-37.93	323.17	5.98	-31.95
CN1N=NC2=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C21	REAL300012079773	0	44	0.0	-39.21	349.77	5.55	-33.66
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300012079774	0	50	0.0	-38.42	384.21	8.37	-30.05
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300012079775	0	44	0.0	-36.82	364.08	7.58	-29.24
CN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012079776	0	49	0.0	-36.87	382.21	8.14	-28.73
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C(=O)[O-]	REAL300012079777	0	46	0.0	-45.64	365.36	8.36	-37.28
CC1=C(Br)SC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079778	1	39	0.0	-33.08	338.49	7.60	-25.48
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Br)C2=CC=CN=C12)C(=O)[O-]	REAL300012079779	0	44	0.0	-39.05	365.32	8.20	-30.85
CC1=NC2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C2C=C1	REAL300012079780	0	47	0.0	-41.94	369.70	8.13	-33.81
COC1=CC=C(OC2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C2)C=C1	REAL300012079781	0	54	0.0	-39.01	423.97	9.25	-29.76
CC(C)(C)OC[C@@H]([NH2+]CC1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300012079782	0	41	0.0	-34.54	323.79	6.00	-28.54
CC1=CC(C)=CC(C2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C2)=C1	REAL300012079783	0	55	0.0	-37.41	424.02	11.90	-25.51
CC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012079784	0	48	0.0	-44.30	374.73	10.55	-33.75
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300012079785	1	42	0.0	-34.76	340.08	7.68	-27.08
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300012079786	0	46	0.0	-39.79	371.37	7.71	-32.08
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079787	0	49	0.0	-39.69	402.96	9.43	-30.26
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300012079788	0	53	0.0	-40.85	424.69	10.51	-30.34
CCCCOC1=CC=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079789	0	52	0.0	-35.69	398.78	8.97	-26.72
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012079790	0	50	0.0	-37.68	406.38	11.20	-26.48
CC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012079791	0	49	0.0	-36.44	383.98	8.02	-28.42
COC1=CC(C)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012079792	0	50	0.0	-35.80	375.61	6.77	-29.03
CC(C)(C)OC[C@@H]([NH2+]CC1=C(Cl)C=CC=C1S(C)(=O)=O)C(=O)[O-]	REAL300012079794	1	45	0.0	-31.85	365.15	5.10	-26.75
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079795	1	48	0.0	-41.82	389.91	6.58	-35.24
CC(C)(C)OC[C@@H]([NH2+]CC1=CNN=C1C1=CSC=C1)C(=O)[O-]	REAL300012079796	1	43	0.0	-32.49	353.93	6.02	-26.47
CSC1=CC(Br)=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079797	0	43	0.0	-34.78	359.97	8.55	-26.23
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300012079798	0	49	0.0	-38.04	397.66	8.90	-29.14
CC(C)(C)OC[C@@H]([NH2+]CC1CCC(C(C)(C)C)CC1)C(=O)[O-]	REAL300012079800	0	57	0.0	-34.59	389.78	9.23	-25.36
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC(F)F)C(Br)=C1)C(=O)[O-]	REAL300012079801	0	43	0.0	-38.31	366.67	7.40	-30.91
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1)C(=O)[O-]	REAL300012079802	0	52	0.0	-38.43	429.97	9.83	-28.60
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079803	0	53	0.0	-37.98	409.24	9.94	-28.04
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079804	0	53	0.0	-36.18	408.05	9.87	-26.31
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079805	0	52	0.0	-38.91	403.23	8.12	-30.79
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OCC2CC2)C=C1)C(=O)[O-]	REAL300012079806	0	50	0.0	-37.54	390.03	8.97	-28.57
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300012079807	0	50	0.0	-37.64	415.71	10.56	-27.08
COC1=CC(Cl)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1Cl	REAL300012079808	0	43	0.0	-35.41	364.24	7.43	-27.98
CC(C)CC1=NC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])S1	REAL300012079809	1	47	0.0	-35.57	373.44	7.12	-28.45
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(C2=CC=CS2)S1)C(=O)[O-]	REAL300012079810	1	42	0.0	-34.91	362.68	7.18	-27.73
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(C2=CSC=C2)S1)C(=O)[O-]	REAL300012079811	1	42	0.0	-35.43	361.95	7.05	-28.38
CC1=CC=C(C2=NC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])S2)O1	REAL300012079812	1	45	0.0	-35.89	375.50	7.02	-28.87
CC1=CC(Br)=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079813	0	42	0.0	-33.92	338.22	8.19	-25.73
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300012079814	0	39	0.0	-35.43	341.91	8.17	-27.26
CC(C)(C)OC[C@@H]([NH2+]CC1=CNN=C1C1=CC=CC=C1F)C(=O)[O-]	REAL300012079815	0	46	0.0	-43.14	361.78	7.19	-35.95
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)C(=O)[O-]	REAL300012079816	0	48	0.0	-43.80	381.95	8.83	-34.97
COCCOC1=CC=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079818	0	50	0.0	-38.49	390.63	6.71	-31.78
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300012079819	0	39	0.0	-36.09	337.32	8.14	-27.95
COC1=C(Br)C=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079820	0	43	0.0	-36.50	355.76	7.15	-29.35
CN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012079821	1	46	0.0	-37.53	364.92	7.29	-30.24
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1)C(=O)[O-]	REAL300012079822	0	53	0.0	-35.23	416.94	9.92	-25.31
COC1=CC(Br)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(OC)=C1	REAL300012079823	0	47	0.0	-31.56	382.71	6.32	-25.24
CC(C)(C)OC[C@@H]([NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1)C(=O)[O-]	REAL300012079824	0	50	0.0	-32.90	408.90	10.44	-22.46
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1)C(=O)[O-]	REAL300012079825	0	54	0.0	-39.65	430.80	8.41	-31.24
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C(C)(C)C)C(=O)[O-]	REAL300012079826	1	58	0.0	-35.49	428.37	10.85	-24.64
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1)C(=O)[O-]	REAL300012079827	1	46	0.0	-34.57	373.65	9.11	-25.46
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300012079828	1	47	0.0	-35.44	373.84	6.94	-28.50
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300012079829	0	45	0.0	-40.46	351.50	6.32	-34.14
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012079830	0	39	0.0	-38.64	328.29	7.78	-30.86
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012079831	0	46	0.0	-37.91	365.83	8.37	-29.54
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1)C(=O)[O-]	REAL300012079832	0	49	0.0	-43.64	402.64	9.23	-34.41
CC(=O)NC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079833	0	46	0.0	-44.90	361.86	5.99	-38.91
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012079834	0	45	0.0	-35.92	344.58	9.21	-26.71
CCN(CC)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079835	0	53	0.0	-35.27	402.13	9.47	-25.80
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012079836	0	39	0.0	-36.84	328.29	7.79	-29.05
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC(OC)=C1OC	REAL300012079837	0	51	0.0	-40.56	398.90	6.28	-34.28
CC(C)(C)OC[C@@H]([NH2+]CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300012079838	0	39	0.0	-33.39	325.14	7.51	-25.88
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300012079839	0	43	0.0	-36.29	343.69	6.73	-29.56
COC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1OC	REAL300012079840	0	47	0.0	-38.34	365.78	6.42	-31.92
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300012079841	0	39	0.0	-37.10	335.48	8.09	-29.01
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(N2CCOCC2)C=C1)C(=O)[O-]	REAL300012079842	0	52	0.0	-37.17	391.00	5.99	-31.18
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012079843	0	47	0.0	-38.64	365.75	6.36	-32.28
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(OC)=C1	REAL300012079844	0	47	0.0	-37.62	363.36	5.75	-31.87
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300012079845	0	42	0.0	-37.87	344.51	8.09	-29.78
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300012079846	0	39	0.0	-38.47	331.45	7.93	-30.54
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300012079847	0	39	0.0	-35.61	337.70	8.06	-27.55
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079848	0	60	0.0	-36.70	457.06	12.29	-24.41
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012079849	0	43	0.0	-40.16	346.25	6.74	-33.42
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300012079850	0	42	0.0	-38.87	335.52	8.24	-30.63
CCCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079851	0	52	0.0	-35.82	400.14	8.90	-26.92
CC(C)CCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079852	0	55	0.0	-35.81	417.70	9.42	-26.39
CCCCCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079853	0	58	0.0	-36.23	444.35	10.53	-25.70
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012079854	0	50	0.0	-35.47	397.41	10.08	-25.39
CCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(OCCC)=C1	REAL300012079855	0	59	0.0	-36.93	450.10	9.20	-27.73
CCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012079856	0	50	0.0	-38.44	387.60	7.28	-31.16
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012079857	0	42	0.0	-35.22	345.74	8.15	-27.07
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(OC)=C1OC	REAL300012079858	0	51	0.0	-40.18	398.93	6.35	-33.83
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012079859	0	57	0.0	-39.28	446.30	10.27	-29.01
COC1=CC=C(Br)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079860	0	43	0.0	-34.43	355.22	7.07	-27.36
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC(Br)=C1O	REAL300012079861	0	44	0.0	-36.92	366.45	4.87	-32.05
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012079862	0	49	0.0	-36.92	380.00	10.50	-26.42
COC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012079863	0	49	0.0	-34.17	376.18	8.58	-25.59
CC(C)(C)OC[C@@H]([NH2+]CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300012079864	0	39	0.0	-30.84	335.10	7.99	-22.85
COC1=CC(OC)=C(OC)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079865	0	51	0.0	-38.40	392.64	5.65	-32.75
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012079867	0	53	0.0	-39.82	417.05	10.36	-29.46
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1Br)C(=O)[O-]	REAL300012079868	0	39	0.0	-28.11	321.20	7.68	-20.43
CC1=NN(C)C(Cl)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079869	0	42	0.0	-35.37	343.93	5.73	-29.64
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1)C(=O)[O-]	REAL300012079870	0	46	0.0	-41.23	385.91	8.92	-32.31
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300012079871	0	42	0.0	-39.25	348.00	6.27	-32.98
CN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012079872	1	51	0.0	-35.62	372.68	7.35	-28.27
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F)C(=O)[O-]	REAL300012079874	0	47	0.0	-39.06	384.12	6.37	-32.69
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012079875	0	56	0.0	-38.61	430.01	10.41	-28.20
CN(CCC#N)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079876	0	51	0.0	-40.60	401.17	9.02	-31.58
CC(C)(C)OC[C@@H]([NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300012079877	0	49	0.0	-34.85	387.14	8.90	-25.95
CCOC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1OC	REAL300012079878	0	50	0.0	-30.92	388.71	7.42	-23.50
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OCC(N)=O	REAL300012079879	0	51	0.0	-50.90	404.33	4.32	-46.58
C#CCOC1=CC=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079880	0	45	0.0	-38.08	361.57	7.93	-30.15
CCNC(=O)COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012079881	0	57	0.0	-46.11	446.54	6.53	-39.58
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC2=C1OCO2	REAL300012079882	0	46	0.0	-39.54	362.58	5.10	-34.44
COC1=CC2=C(C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])OC(C)C2	REAL300012079884	0	51	0.0	-35.41	391.00	7.04	-28.37
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012079885	0	55	0.0	-47.51	436.27	4.06	-43.45
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012079886	0	51	0.0	-45.06	424.29	4.97	-40.09
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(I)=C1)C(=O)[O-]	REAL300012079889	0	39	0.0	-38.43	334.77	8.25	-30.18
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012079890	0	39	0.0	-36.60	334.77	8.26	-28.34
CSC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])S1	REAL300012079891	1	40	0.0	-33.42	339.30	7.42	-26.00
CC(C)(C)OC[C@@H]([NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300012079892	0	49	0.0	-34.20	402.23	8.03	-26.17
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079893	0	52	0.0	-32.31	390.33	10.68	-21.63
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300012079894	0	45	0.0	-44.42	367.68	4.68	-39.74
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300012079895	0	49	0.0	-37.83	397.93	11.10	-26.73
COC1=CC=C(Cl)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079896	0	43	0.0	-35.22	351.87	7.03	-28.19
COC(=O)C1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CN1C	REAL300012079897	0	46	0.0	-46.69	366.43	7.35	-39.34
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012079898	0	52	0.0	-40.25	411.04	8.75	-31.50
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Br)C=N1)C(=O)[O-]	REAL300012079899	0	38	0.0	-31.27	323.29	5.93	-25.34
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(N2CCOCC2)S1)C(=O)[O-]	REAL300012079900	1	48	0.0	-36.45	379.45	4.40	-32.05
C#CCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079901	0	48	0.0	-37.61	385.63	8.71	-28.90
CC1=NN(C)C2=NC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C12	REAL300012079902	0	47	0.0	-41.20	373.27	6.89	-34.31
CC(C)(C)OC[C@@H]([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C(=O)[O-]	REAL300012079903	0	42	0.0	-31.70	349.48	8.09	-23.61
CCOCC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OC	REAL300012079904	0	53	0.0	-34.06	410.59	7.37	-26.69
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300012079907	0	42	0.0	-31.54	361.17	8.74	-22.80
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Br)C=C1C(F)(F)F)C(=O)[O-]	REAL300012079908	0	42	0.0	-39.69	355.65	8.76	-30.93
CC(C)(C)OC[C@@H]([NH2+]CC1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300012079909	0	39	0.0	-32.72	329.17	7.59	-25.13
CC(C)COC1=CC=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079911	0	52	0.0	-35.72	398.60	8.94	-26.78
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=CC(Br)=C1)C(=O)[O-]	REAL300012079913	0	39	0.0	-36.65	333.49	7.78	-28.87
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC=NC=C2C=C1)C(=O)[O-]	REAL300012079914	0	44	0.0	-38.70	346.79	7.57	-31.13
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300012079915	0	39	0.0	-38.76	323.96	7.58	-31.18
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300012079916	0	39	0.0	-42.21	331.95	7.74	-34.47
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(C(C)(C)C)N=C1)C(=O)[O-]	REAL300012079917	0	49	0.0	-38.46	378.63	7.12	-31.34
CS(=O)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079918	0	44	0.0	-51.16	357.99	5.69	-45.47
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300012079919	0	49	0.0	-35.38	369.70	9.65	-25.73
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C)=C1OC	REAL300012079920	0	50	0.0	-38.28	375.89	6.86	-31.42
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300012079923	0	45	0.0	-46.57	367.69	4.67	-41.90
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2CCCC2)C=C1)C(=O)[O-]	REAL300012079924	0	52	0.0	-34.72	389.33	10.29	-24.43
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300012079926	1	49	0.0	-37.16	373.16	7.66	-29.50
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079927	0	49	0.0	-37.96	380.91	8.77	-29.19
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300012079928	0	42	0.0	-37.54	339.18	8.03	-29.51
COC1=CC(C)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C)=N1	REAL300012079929	0	48	0.0	-34.79	364.83	4.81	-29.98
COC1=CC=CC(Cl)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079930	0	43	0.0	-32.63	349.21	6.93	-25.70
CCC1=CC(OC)=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079931	0	49	0.0	-34.00	365.24	7.55	-26.45
CC1=NC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])N1C1=CC=CC=C1	REAL300012079932	1	49	0.0	-34.38	387.65	9.48	-24.90
CCCN1N=C(C)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1C	REAL300012079933	0	51	0.0	-38.31	392.20	7.55	-30.76
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2CCC2)C=C1)C(=O)[O-]	REAL300012079934	0	49	0.0	-34.88	371.54	9.67	-25.21
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC2=CC=CC=C21	REAL300012079935	0	49	0.0	-38.44	381.47	8.76	-29.68
CCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1F	REAL300012079936	0	46	0.0	-37.17	364.59	7.46	-29.71
COC1=CC=CC2=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=CC=C12	REAL300012079937	0	49	0.0	-36.37	371.11	8.47	-27.90
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1C#N	REAL300012079938	0	44	0.0	-42.90	355.50	6.81	-36.09
CC1=CC=CC=C1N1N=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079939	1	49	0.0	-32.31	381.25	9.01	-23.30
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C(=O)[O-]	REAL300012079941	0	46	0.0	-37.97	369.70	5.40	-32.57
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(Br)=C1	REAL300012079942	0	43	0.0	-36.51	347.66	6.81	-29.70
CC1=CC(Br)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])S1	REAL300012079943	1	39	0.0	-32.59	337.17	7.54	-25.05
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(C(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012079944	0	54	0.0	-44.11	415.48	9.79	-34.32
CN1C(=O)CCC2=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C21	REAL300012079946	0	50	0.0	-41.79	382.86	8.06	-33.73
COC1=CC=CC(SC2=CC=CC=C2C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079947	0	54	0.0	-36.79	428.61	10.32	-26.47
CC1=CC=C(OC(F)F)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079948	0	46	0.0	-35.75	365.10	7.41	-28.34
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1)C(=O)[O-]	REAL300012079949	1	45	0.0	-36.25	388.75	8.70	-27.55
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(C2=CC=CC=C2F)S1)C(=O)[O-]	REAL300012079950	1	45	0.0	-39.52	375.32	8.36	-31.16
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079951	0	56	0.0	-35.43	431.40	10.59	-24.84
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300012079952	0	50	0.0	-35.55	405.41	9.53	-26.02
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012079953	0	54	0.0	-43.13	432.55	7.46	-35.67
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=NC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300012079954	0	44	0.0	-38.45	358.78	7.98	-30.47
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(C2CCCC2)S1)C(=O)[O-]	REAL300012079955	1	48	0.0	-35.41	378.89	7.79	-27.62
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300012079956	1	45	0.0	-38.28	380.19	8.41	-29.87
CC(C)C1=NC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])S1	REAL300012079957	1	44	0.0	-34.98	354.75	6.41	-28.57
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(C2=CC=CO2)S1)C(=O)[O-]	REAL300012079958	1	42	0.0	-36.28	353.58	6.19	-30.09
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300012079959	0	39	0.0	-35.64	341.91	8.16	-27.48
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300012079960	1	51	0.0	-36.57	415.37	9.60	-26.97
CN1C=C(C2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C2)C=N1	REAL300012079961	0	49	0.0	-41.70	387.12	8.47	-33.23
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300012079962	0	42	0.0	-40.93	344.34	6.12	-34.81
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300012079963	0	50	0.0	-39.18	400.88	10.01	-29.17
CN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012079964	0	49	0.0	-32.80	391.26	8.32	-24.48
CN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012079965	0	50	0.0	-37.17	406.03	8.66	-28.51
CN(C)C(=O)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])N1	REAL300012079966	0	47	0.0	-45.24	364.11	5.33	-39.91
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(C(N)=O)=CS1)C(=O)[O-]	REAL300012079967	1	40	0.0	-45.90	333.34	3.02	-42.88
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=N1	REAL300012079968	0	53	0.0	-38.47	414.16	9.51	-28.96
CCC1=NN(C)C(CC)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079969	1	51	0.0	-31.88	382.71	7.39	-24.49
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(C2CCC2)S1)C(=O)[O-]	REAL300012079970	1	45	0.0	-34.91	360.34	7.20	-27.71
CN1N=C(Br)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079973	0	39	0.0	-40.04	329.42	5.27	-34.77
CN1C=C(C2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])S2)C=N1	REAL300012079974	0	46	0.0	-37.42	379.74	7.78	-29.64
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C2OCCCCOC2=C1)C(=O)[O-]	REAL300012079975	0	51	0.0	-40.96	384.86	7.99	-32.97
CCOC1=C(Cl)C=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079976	0	46	0.0	-36.28	371.20	7.95	-28.33
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C(=O)[O-]	REAL300012079977	0	39	0.0	-29.63	338.63	8.08	-21.55
COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079978	1	50	0.0	-34.12	391.36	7.47	-26.65
CC(C)(C)OC[C@@H]([NH2+]CC1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300012079979	0	43	0.0	-33.70	356.97	7.04	-26.66
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=NN1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300012079980	1	46	0.0	-32.89	368.37	8.05	-24.84
CC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012079981	0	52	0.0	-33.27	405.10	9.00	-24.27
CC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012079982	0	52	0.0	-29.93	400.91	8.64	-21.29
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)C(=O)[O-]	REAL300012079984	0	49	0.0	-42.30	403.33	9.30	-33.00
CC1=CC(Br)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1Cl	REAL300012079985	0	42	0.0	-33.07	356.11	8.72	-24.35
CC(C)(C)OC[C@@H]([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012079986	0	49	0.0	-35.59	406.34	9.14	-26.45
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(CCC#N)N=C1C1=CC=NC=C1)C(=O)[O-]	REAL300012079988	0	52	0.0	-46.65	422.80	7.92	-38.73
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1)C(=O)[O-]	REAL300012079989	0	45	0.0	-29.90	364.16	10.69	-19.21
COC(=O)C1=C(C)N(C)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012079990	1	49	0.0	-43.07	385.06	7.66	-35.41
COCCCN1N=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012079991	1	49	0.0	-35.45	378.66	5.45	-30.00
CC1=CC(F)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(Cl)=C1	REAL300012079992	0	42	0.0	-32.60	346.55	8.19	-24.41
COCCOCC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012079993	0	53	0.0	-38.58	417.54	7.12	-31.46
CC(C)(C)OC[C@@H]([NH2+]CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012079995	0	39	0.0	-39.15	324.52	7.07	-32.08
CC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012079996	0	45	0.0	-31.01	373.58	9.57	-21.44
CC(C)(C)OC[C@@H]([NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012079997	0	53	0.0	-37.25	430.43	9.57	-27.68
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(F)C=C1I)C(=O)[O-]	REAL300012079998	0	39	0.0	-35.00	330.09	8.06	-26.94
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300012079999	0	42	0.0	-43.88	346.61	6.26	-37.62
CC1=CC(F)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(F)=C1	REAL300012080000	0	42	0.0	-33.73	337.81	7.81	-25.92
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])O1	REAL300012080001	1	49	0.0	-39.31	384.84	7.92	-31.39
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300012080002	0	38	0.0	-29.68	334.04	6.31	-23.37
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(OC(F)F)=CC=C1Br)C(=O)[O-]	REAL300012080003	0	43	0.0	-30.74	360.45	7.24	-23.50
COC(=O)C1=C(C)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CN1	REAL300012080004	0	46	0.0	-43.93	364.08	6.06	-37.87
CC1=CC=C(C2=NC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])S2)C=C1C	REAL300012080005	1	51	0.0	-36.26	410.39	9.39	-26.87
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080006	0	49	0.0	-43.98	390.63	9.06	-34.92
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080007	0	49	0.0	-41.05	396.99	9.52	-31.53
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080008	0	52	0.0	-39.20	406.76	9.62	-29.58
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C(C)(C)C#N)C=C1)C(=O)[O-]	REAL300012080009	0	49	0.0	-43.12	383.67	9.11	-34.01
COC1=CC(OC)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1F	REAL300012080011	0	47	0.0	-37.84	370.86	5.89	-31.95
COC1=CC(F)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012080012	0	47	0.0	-32.86	368.99	6.34	-26.52
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1)C(=O)[O-]	REAL300012080013	0	53	0.0	-37.77	427.18	10.60	-27.17
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080014	0	52	0.0	-39.52	406.82	9.61	-29.91
CCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C)=C1	REAL300012080015	0	52	0.0	-34.78	391.30	8.70	-26.08
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC=NC=C2S1)C(=O)[O-]	REAL300012080016	0	41	0.0	-35.87	339.12	6.90	-28.97
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC(Br)=CC=C2O1)C(=O)[O-]	REAL300012080017	1	42	0.0	-34.34	356.17	8.30	-26.04
CCC1=C2OC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC2=CC=C1	REAL300012080018	1	48	0.0	-33.31	376.56	9.04	-24.27
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OC2CC2)=C1F)C(=O)[O-]	REAL300012080019	0	47	0.0	-44.27	371.70	8.10	-36.17
CCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C)=C1	REAL300012080020	0	49	0.0	-35.13	369.80	7.90	-27.23
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(F)=C1OC(F)F)C(=O)[O-]	REAL300012080021	0	43	0.0	-38.18	350.13	6.79	-31.39
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300012080022	0	43	0.0	-35.71	351.30	6.87	-28.84
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(C2CCCC2)=C1)C(=O)[O-]	REAL300012080023	0	52	0.0	-34.93	390.01	10.29	-24.64
CN1C=C(C2=NN(C)C=C2C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=N1	REAL300012080024	0	49	0.0	-42.61	389.03	6.08	-36.53
COCC1=CSC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012080025	0	43	0.0	-35.13	352.52	5.99	-29.14
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300012080026	1	45	0.0	-34.80	387.54	8.63	-26.17
CC(C)(C)OC[C@@H]([NH2+]CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012080027	0	39	0.0	-40.27	337.61	7.30	-32.97
CC(C)(C)OC[C@@H]([NH2+]CC1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300012080029	0	39	0.0	-27.95	327.72	7.27	-20.68
CN(C)C1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=CC(F)=C1F	REAL300012080030	0	47	0.0	-39.54	366.01	7.15	-32.39
CC(C)(C)OC[C@@H]([NH2+]CC1=C(F)C=CC(F)=C1Cl)C(=O)[O-]	REAL300012080031	1	39	0.0	-32.26	331.01	7.57	-24.69
CC(C)OC1=CC(Cl)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1Cl	REAL300012080032	0	49	0.0	-34.85	404.04	8.98	-25.87
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC2CCOC2)C=C1)C(=O)[O-]	REAL300012080033	0	51	0.0	-37.90	391.14	6.73	-31.17
CN(C)C1=CC(F)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1F	REAL300012080034	0	47	0.0	-33.18	371.12	6.68	-26.50
COC(=O)C1=C2CCCCN2C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012080035	1	53	0.0	-42.34	407.47	8.82	-33.52
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300012080036	0	39	0.0	-32.78	324.05	7.34	-25.44
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012080037	0	46	0.0	-37.30	375.23	7.45	-29.85
C=CCOC1=C(Cl)C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012080038	0	51	0.0	-37.58	420.46	8.53	-29.05
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC1CC1	REAL300012080039	0	51	0.0	-39.13	396.79	8.03	-31.10
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080040	0	42	0.0	-41.25	347.87	5.68	-35.57
COCC(C)OC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012080041	0	53	0.0	-39.97	408.59	7.37	-32.60
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012080042	0	53	0.0	-32.72	422.01	10.56	-22.16
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C(=O)[O-]	REAL300012080043	0	46	0.0	-38.04	374.37	9.78	-28.26
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300012080044	1	52	0.0	-36.28	404.90	9.39	-26.89
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F)C(=O)[O-]	REAL300012080045	0	46	0.0	-40.25	374.22	7.72	-32.53
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1C(C)(C)C	REAL300012080046	0	55	0.0	-35.20	406.46	9.07	-26.13
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(CC2CCC2)=C1)C(=O)[O-]	REAL300012080047	0	52	0.0	-34.49	396.84	10.60	-23.89
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080048	0	47	0.0	-31.37	378.60	6.31	-25.06
CC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C(Br)C=C1F	REAL300012080050	0	42	0.0	-28.28	347.91	8.38	-19.90
CC(C)(C)OC[C@@H]([NH2+]CC1=C(O)C=CC=C1Br)C(=O)[O-]	REAL300012080051	0	40	0.0	-30.57	334.76	4.87	-25.70
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1Cl	REAL300012080053	0	43	0.0	-37.92	351.32	6.94	-30.98
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300012080054	1	49	0.0	-36.94	376.47	7.65	-29.29
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1CC(F)(F)F)C(=O)[O-]	REAL300012080056	0	45	0.0	-35.27	351.28	8.52	-26.75
CC(=O)NC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012080058	0	46	0.0	-40.97	363.11	6.06	-34.91
CN1N=CC2=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CN=C21	REAL300012080059	0	44	0.0	-43.85	351.31	6.29	-37.56
COC1=CC(Cl)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC	REAL300012080061	0	47	0.0	-31.43	376.32	6.77	-24.66
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300012080062	0	45	0.0	-38.19	367.98	8.94	-29.25
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012080063	0	59	0.0	-38.55	454.90	7.61	-30.94
CN1N=C2CCCCC2=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080064	1	49	0.0	-35.51	371.21	7.14	-28.37
CCOC(=O)C1=C(C)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C(C)N1	REAL300012080065	0	52	0.0	-34.05	407.00	7.54	-26.51
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012080066	0	38	0.0	-40.66	324.59	5.85	-34.81
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1)C(=O)[O-]	REAL300012080067	0	49	0.0	-39.82	400.02	11.13	-28.69
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Br)C(F)=C1F)C(=O)[O-]	REAL300012080068	0	39	0.0	-31.90	338.36	7.89	-24.01
CCOC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C(F)C=C1OC	REAL300012080070	0	50	0.0	-32.69	390.85	7.26	-25.43
COC1=NC=C(Br)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080071	0	42	0.0	-36.37	352.89	4.47	-31.90
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C(=O)[O-]	REAL300012080072	0	45	0.0	-36.16	348.24	9.14	-27.02
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CN=C1Br)C(=O)[O-]	REAL300012080073	0	38	0.0	-29.89	317.51	5.85	-24.04
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C(F)C=C1Br	REAL300012080074	0	43	0.0	-31.92	361.40	7.16	-24.76
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(Br)=C1Cl)C(=O)[O-]	REAL300012080075	0	39	0.0	-39.00	338.20	8.13	-30.87
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(F)=C1OC(F)(F)F)C(=O)[O-]	REAL300012080076	0	43	0.0	-43.61	358.08	7.08	-36.53
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080077	0	49	0.0	-34.76	380.12	8.07	-26.69
CCOC1=CC(F)=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012080078	0	46	0.0	-37.25	364.77	7.45	-29.80
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1)C(=O)[O-]	REAL300012080079	0	53	0.0	-46.99	401.79	8.10	-38.89
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC(F)F)C=C1F)C(=O)[O-]	REAL300012080080	0	43	0.0	-40.27	350.60	6.70	-33.57
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OC(C)(C)C)=C1)C(=O)[O-]	REAL300012080081	0	52	0.0	-38.49	386.18	8.23	-30.26
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C(F)C=C1C	REAL300012080082	0	46	0.0	-30.61	359.84	7.17	-23.44
CC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C)=C1Br	REAL300012080083	0	45	0.0	-35.08	353.20	8.66	-26.42
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)C=C1)C(=O)[O-]	REAL300012080085	0	56	0.0	-42.53	429.07	7.40	-35.13
CN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012080086	0	49	0.0	-40.03	397.55	8.39	-31.64
COCCC1=NC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])S1	REAL300012080088	1	45	0.0	-36.71	368.85	4.94	-31.77
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=CC(F)=C1O)C(=O)[O-]	REAL300012080090	1	40	0.0	-38.84	342.37	5.04	-33.80
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=CC(F)=C1O)C(=O)[O-]	REAL300012080091	1	40	0.0	-40.04	328.69	4.56	-35.48
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300012080092	0	49	0.0	-37.76	413.31	8.87	-28.89
CN1N=C2CCSCC2=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080093	1	47	0.0	-35.13	371.41	6.82	-28.31
CCN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012080094	0	52	0.0	-31.59	406.39	9.13	-22.46
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC2=C1CCOC2)C(=O)[O-]	REAL300012080095	0	47	0.0	-34.29	353.27	7.12	-27.17
COCC1=C(C)C=C(C)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1C	REAL300012080096	0	55	0.0	-34.31	402.70	8.17	-26.14
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C2OC(=O)OC2=C1)C(=O)[O-]	REAL300012080097	0	41	0.0	-41.73	334.76	7.71	-34.02
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300012080098	0	50	0.0	-35.54	414.60	10.46	-25.08
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080099	0	53	0.0	-39.44	431.26	11.24	-28.20
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300012080100	0	50	0.0	-36.72	415.38	10.48	-26.24
CC1=C(Br)C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])S1	REAL300012080101	0	39	0.0	-34.40	338.37	7.60	-26.80
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300012080102	0	49	0.0	-37.27	397.94	11.09	-26.18
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC2=NC=CC=C12)C(=O)[O-]	REAL300012080103	0	44	0.0	-37.70	339.66	7.32	-30.38
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(F)=C1I)C(=O)[O-]	REAL300012080104	0	39	0.0	-36.78	327.25	7.95	-28.83
CCCOC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1C	REAL300012080105	0	52	0.0	-36.10	399.93	8.93	-27.17
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=NC=CN=C2C=C1)C(=O)[O-]	REAL300012080106	0	43	0.0	-43.34	343.04	5.57	-37.77
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012080107	0	57	0.0	-34.79	443.73	9.81	-24.98
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012080108	0	53	0.0	-36.76	419.22	8.14	-28.62
CC1=CC=C(Br)C(F)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080110	0	42	0.0	-28.67	346.85	8.18	-20.49
CC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012080111	0	44	0.0	-45.06	340.92	8.16	-36.90
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080112	0	47	0.0	-42.34	363.40	8.69	-33.65
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(F)=C1OC	REAL300012080114	0	47	0.0	-45.86	375.04	6.49	-39.37
COC(=O)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(F)=C1	REAL300012080115	0	45	0.0	-46.10	367.34	7.84	-38.26
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012080116	0	49	0.0	-42.67	393.64	7.54	-35.13
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012080117	0	53	0.0	-35.92	418.27	10.43	-25.49
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OCC(F)F)C(=O)[O-]	REAL300012080118	0	46	0.0	-41.91	368.80	7.70	-34.21
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300012080119	0	50	0.0	-35.51	411.38	10.10	-25.41
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080120	0	57	0.0	-38.94	442.56	10.43	-28.51
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012080121	0	50	0.0	-34.95	415.75	10.49	-24.46
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080122	0	55	0.0	-36.87	420.30	10.07	-26.80
CC1=CC(C#N)=CC(C)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080123	0	46	0.0	-36.52	357.83	8.46	-28.06
CC1=C2C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=NC2=NN1	REAL300012080127	0	44	0.0	-42.41	348.85	5.62	-36.79
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)C(=O)[O-]	REAL300012080128	0	47	0.0	-44.74	384.26	3.79	-40.95
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080130	0	39	0.0	-31.27	339.52	6.44	-24.83
CC(C)(C)OC[C@@H]([NH2+]CC1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012080131	1	44	0.0	-31.07	342.48	7.38	-23.69
CC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])N2C=CC=CC2=N1	REAL300012080132	1	45	0.0	-35.90	352.27	8.07	-27.83
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080133	0	59	0.0	-35.41	428.77	9.25	-26.16
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1)C(=O)[O-]	REAL300012080134	0	53	0.0	-44.45	436.28	10.55	-33.90
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C(=O)[O-]	REAL300012080135	1	45	0.0	-41.84	363.18	5.39	-36.45
CC1=NN2C(=NC(C)=C2C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])S1	REAL300012080136	1	44	0.0	-41.79	362.24	6.36	-35.43
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])S1	REAL300012080137	1	50	0.0	-40.51	403.32	7.63	-32.88
CCCC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300012080138	0	51	0.0	-37.55	383.03	9.72	-27.83
CC(C)(C)OC[C@@H]([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300012080139	0	44	0.0	-31.38	357.65	7.96	-23.42
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012080140	0	39	0.0	-34.11	336.64	7.40	-26.71
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012080141	0	56	0.0	-41.21	441.21	8.01	-33.20
CN(C)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012080143	0	50	0.0	-39.17	385.81	8.54	-30.63
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080144	0	49	0.0	-42.33	387.52	9.72	-32.61
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080145	0	48	0.0	-32.68	396.17	8.69	-23.99
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1)C(=O)[O-]	REAL300012080146	0	58	0.0	-37.36	444.05	10.66	-26.70
CC(C)(C)OC[C@@H]([NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300012080147	0	42	0.0	-30.51	365.70	8.43	-22.08
CC(C)(C)OC[C@@H]([NH2+]CC1=CN2C=CC(Br)=CC2=N1)C(=O)[O-]	REAL300012080149	0	42	0.0	-32.01	354.08	8.22	-23.79
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080150	0	50	0.0	-41.15	391.92	8.48	-32.67
COCC1=CC=CC=C1C=C(C)C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080151	0	53	0.0	-38.13	404.29	8.69	-29.44
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080152	0	49	0.0	-30.25	380.04	7.97	-22.28
COC1=CC=C(N2C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=N2)C=C1	REAL300012080154	0	50	0.0	-42.51	394.10	7.61	-34.90
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012080155	0	54	0.0	-36.67	425.76	10.46	-26.21
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C(=O)[O-]	REAL300012080156	1	41	0.0	-34.15	345.20	5.06	-29.09
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=NC=C1Br)C(=O)[O-]	REAL300012080157	0	38	0.0	-37.08	316.62	5.87	-31.21
CC(C)(C)OC[C@@H]([NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1)C(=O)[O-]	REAL300012080159	0	59	0.0	-33.62	450.43	11.12	-22.50
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=NN1C1=CC=CC=N1)C(=O)[O-]	REAL300012080160	1	45	0.0	-32.43	359.18	7.84	-24.59
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1F)C(=O)[O-]	REAL300012080161	0	44	0.0	-47.39	365.53	2.08	-45.31
CC1=C(Br)C=NC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080162	0	41	0.0	-35.20	334.73	6.40	-28.80
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080163	0	42	0.0	-29.63	343.79	5.74	-23.89
CN1N=CC(C2CCC2)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080164	1	49	0.0	-33.75	371.92	7.21	-26.54
CC1=C2C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])NC2=CC=C1	REAL300012080165	0	46	0.0	-36.08	358.62	7.68	-28.40
CC(C)(C)OC[C@@H](NCC1=CC=NN1C1=CC=[NH+]C=C1)C(=O)[O-]	REAL300012080166	1	45	0.0	-73.17	361.63	5.58	-67.59
CC1=CC=C2C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])NC2=C1	REAL300012080167	0	46	0.0	-36.92	359.04	7.70	-29.22
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=NN1C1CCOCC1)C(=O)[O-]	REAL300012080168	1	50	0.0	-38.94	381.44	5.71	-33.23
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C(F)F)N=C1)C(=O)[O-]	REAL300012080170	0	41	0.0	-38.06	333.80	6.20	-31.86
CN(C)C1=CC=C(C#N)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080171	0	48	0.0	-36.96	380.13	7.56	-29.40
CC1=CC(C)=C(C=CC[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C)=C1	REAL300012080173	0	52	0.0	-37.37	397.02	10.28	-27.09
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C(=O)[O-]	REAL300012080174	0	59	0.0	-39.18	445.82	5.94	-33.24
CC(C)(C)OC[C@@H]([NH2+]CC(CC(F)F)NC(=O)OC(C)(C)C)C(=O)[O-]	REAL300012080175	0	55	0.0	-40.63	413.60	5.96	-34.67
CN(C)C1=CC=C(F)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080177	0	47	0.0	-33.22	366.42	7.22	-26.00
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C(=O)[O-]	REAL300012080178	0	44	0.0	-39.85	354.42	7.60	-32.25
CC1=CC(C)=C(C=CC[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1C	REAL300012080179	0	52	0.0	-37.75	392.71	10.12	-27.63
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300012080180	0	44	0.0	-44.05	361.23	2.12	-41.93
CC(C)(C)OC[C@@H]([NH2+]CC1=NC=CC2=C1CCCC2)C(=O)[O-]	REAL300012080181	1	48	0.0	-37.63	357.98	7.62	-30.01
CN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2CCCC2)=N1	REAL300012080184	1	52	0.0	-37.61	392.09	7.95	-29.66
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300012080186	0	50	0.0	-36.07	402.12	10.08	-25.99
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300012080187	0	47	0.0	-36.28	359.48	7.72	-28.56
CN(C)C(=O)C1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012080188	0	49	0.0	-43.37	379.16	7.01	-36.36
CCC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(Cl)=NN1	REAL300012080189	0	42	0.0	-37.91	339.05	5.29	-32.62
CC(C)(C)OC[C@@H]([NH2+]CC1=C(C2CC2)NN=C1Cl)C(=O)[O-]	REAL300012080190	0	43	0.0	-38.39	353.36	6.11	-32.28
CC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C2CCCCC2=N1	REAL300012080191	0	51	0.0	-34.46	376.01	8.20	-26.26
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1N1CCCCC1)C(=O)[O-]	REAL300012080192	0	54	0.0	-32.40	398.85	9.11	-23.29
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C(F)F)C(F)=C1)C(=O)[O-]	REAL300012080194	0	42	0.0	-46.17	345.22	8.07	-38.10
COC(=O)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1C	REAL300012080195	0	48	0.0	-39.15	377.83	8.36	-30.79
CC1=C(Cl)C=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1Cl	REAL300012080196	0	42	0.0	-36.13	349.05	8.49	-27.64
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(C#N)=CC=C1Br)C(=O)[O-]	REAL300012080197	0	40	0.0	-34.20	341.99	8.05	-26.15
CC1CC2=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C2O1	REAL300012080198	0	47	0.0	-37.81	362.66	7.69	-30.12
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC2=C1OC(=O)N2)C(=O)[O-]	REAL300012080199	0	42	0.0	-50.91	337.54	4.58	-46.33
CSCC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012080200	0	46	0.0	-36.67	371.90	8.98	-27.69
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300012080201	0	49	0.0	-40.26	378.02	7.84	-32.42
CN1N=C2CCOCC2=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080202	1	47	0.0	-36.27	362.29	4.76	-31.51
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080203	0	52	0.0	-45.69	409.30	8.71	-36.98
COC(=O)COC1=CC=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080204	0	49	0.0	-44.35	390.01	8.04	-36.31
CN1C=NC2=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C21	REAL300012080205	0	45	0.0	-38.53	343.64	8.28	-30.25
CN(C)C(=O)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012080206	0	49	0.0	-45.85	375.96	6.95	-38.90
CCNC(=O)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012080207	0	49	0.0	-45.77	384.95	6.29	-39.48
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300012080208	0	51	0.0	-29.73	351.45	8.90	-20.83
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=C2CCCCCN12)C(=O)[O-]	REAL300012080209	1	49	0.0	-39.15	361.80	7.49	-31.66
COC1=CC=C2SC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC2=C1	REAL300012080210	0	46	0.0	-35.22	372.72	7.92	-27.30
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012080211	0	55	0.0	-44.50	418.04	8.87	-35.63
CCN1CCC2=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C21	REAL300012080212	0	51	0.0	-35.69	385.09	7.71	-27.98
CCN(C)C(=O)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012080213	0	52	0.0	-45.73	398.64	7.95	-37.78
CSC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1Cl	REAL300012080214	0	43	0.0	-35.43	361.01	8.57	-26.86
CC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1C1CC1	REAL300012080215	0	49	0.0	-35.36	373.42	9.79	-25.57
CC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1C1CC1	REAL300012080216	0	49	0.0	-34.66	373.43	9.79	-24.87
CC1=NN(C2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C)=C2)C=C1	REAL300012080217	0	52	0.0	-41.08	397.20	9.36	-31.72
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300012080218	0	45	0.0	-37.62	376.98	8.96	-28.66
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080219	0	49	0.0	-39.94	393.99	9.35	-30.59
CC1=NN(C2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C2)C=C1Cl	REAL300012080221	0	49	0.0	-42.31	402.70	9.38	-32.93
COC(=O)C1=CC2=C(C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])O2)N1	REAL300012080222	1	46	0.0	-36.30	374.37	5.89	-30.41
CC(C)(C)OC[C@@H]([NH2+]CC(C)(C)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012080224	0	48	0.0	-36.79	375.15	9.42	-27.37
CC1=NN(C(C)C)C(C)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080225	1	51	0.0	-33.34	388.06	7.37	-25.97
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300012080226	0	39	0.0	-36.12	343.81	8.20	-27.92
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C)=C1	REAL300012080227	0	55	0.0	-32.61	414.74	11.49	-21.12
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C(=O)[O-]	REAL300012080229	0	59	0.0	-39.46	453.68	7.55	-31.91
COC(=O)C1=C2COCCN2C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012080230	0	51	0.0	-43.53	400.40	6.51	-37.02
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300012080231	0	56	0.0	-46.20	420.58	9.02	-37.18
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080232	0	49	0.0	-38.76	374.16	9.92	-28.84
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C(=O)[O-]	REAL300012080233	0	42	0.0	-30.94	369.16	9.00	-21.94
CC(C)(C)OC[C@@H]([NH2+]CC1=CNN=C1C1=CC=C(Cl)O1)C(=O)[O-]	REAL300012080234	0	43	0.0	-39.94	359.36	6.48	-33.46
COC1=NC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1F	REAL300012080236	0	42	0.0	-45.31	339.67	3.91	-41.40
CC(C)(C)OC[C@@H]([NH2+]CC1=C(Cl)C=CC=C1Br)C(=O)[O-]	REAL300012080237	0	39	0.0	-30.03	337.61	8.02	-22.01
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(F)C(Br)=C1F)C(=O)[O-]	REAL300012080238	0	39	0.0	-31.92	337.77	7.87	-24.05
CC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012080239	1	51	0.0	-32.61	390.95	8.71	-23.90
CC(C)(C)OC[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300012080241	0	59	0.0	-41.44	429.49	8.11	-33.33
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C(=O)[O-]	REAL300012080243	0	45	0.0	-44.83	379.67	5.00	-39.83
CC1OC2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C2C1C	REAL300012080244	0	50	0.0	-38.02	380.38	8.26	-29.76
CC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OC(F)F	REAL300012080245	0	46	0.0	-40.43	365.12	7.42	-33.01
CC1=NC(Cl)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1Br	REAL300012080246	0	41	0.0	-29.99	353.65	6.91	-23.08
CC(C)CC1=CC=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080247	0	51	0.0	-30.71	370.30	9.37	-21.34
CN1N=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1S(C)(=O)=O	REAL300012080248	1	45	0.0	-44.63	352.71	3.03	-41.60
CCOC1=CC(Br)=CC(F)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080249	0	46	0.0	-33.71	382.40	8.02	-25.69
CC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])NN=C1C(F)(F)F	REAL300012080250	0	42	0.0	-37.83	340.43	4.92	-32.91
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(C(F)(F)F)=NN1)C(=O)[O-]	REAL300012080251	0	39	0.0	-40.51	328.06	4.49	-36.02
CN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012080254	0	49	0.0	-40.72	388.70	8.21	-32.51
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(CC2CC2)S1)C(=O)[O-]	REAL300012080255	0	46	0.0	-32.61	372.20	9.41	-23.20
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300012080256	0	47	0.0	-36.28	366.33	8.06	-28.22
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300012080257	0	43	0.0	-39.32	357.34	6.91	-32.41
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300012080258	0	45	0.0	-40.73	378.20	9.04	-31.69
CC1=NC=CN1C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C)=C1	REAL300012080259	0	52	0.0	-39.72	400.32	10.12	-29.60
CC1=C(C)N(C2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C2)C=N1	REAL300012080260	0	52	0.0	-42.32	404.74	10.77	-31.55
CNC(=O)C1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012080261	0	46	0.0	-48.86	363.48	5.43	-43.43
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C(=O)[O-]	REAL300012080262	0	53	0.0	-35.09	400.73	11.12	-23.97
CCNC(=O)C1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012080264	0	49	0.0	-48.00	383.75	6.21	-41.79
CC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012080265	1	45	0.0	-33.55	360.83	8.36	-25.19
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080266	1	49	0.0	-39.80	387.07	8.28	-31.52
CC(C)(C)OC[C@@H]([NH2+]CC1=CN=CC(C(C)(C)C)=C1)C(=O)[O-]	REAL300012080267	1	50	0.0	-38.02	378.40	7.66	-30.36
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300012080268	0	42	0.0	-35.28	363.61	9.19	-26.09
CC(C)(C)OC[C@@H]([NH2+]CC1=NN(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300012080269	0	42	0.0	-36.54	349.28	6.22	-30.32
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C(=O)[O-]	REAL300012080270	0	49	0.0	-31.92	377.65	9.21	-22.71
CC(C)(C)OC[C@@H]([NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012080272	0	46	0.0	-36.13	380.50	7.45	-28.68
COC1=NC(Cl)=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080273	0	42	0.0	-41.09	349.63	4.35	-36.74
CN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012080274	0	42	0.0	-45.18	339.12	5.80	-39.38
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(C(F)F)=C1F)C(=O)[O-]	REAL300012080275	0	42	0.0	-43.09	342.85	8.02	-35.07
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC2=C1COCC2)C(=O)[O-]	REAL300012080276	0	47	0.0	-36.82	353.31	7.13	-29.69
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080277	0	52	0.0	-43.19	416.64	9.75	-33.44
CCOC1=CC=C(Cl)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080278	0	46	0.0	-35.08	373.72	7.96	-27.12
CC(C)(C)OC[C@@H]([NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012080279	0	46	0.0	-32.94	384.77	7.65	-25.29
CC(C)(C)OC[C@@H]([NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300012080281	0	46	0.0	-37.76	368.80	7.05	-30.71
CC(C)(C)OC[C@@H]([NH2+]CC1=C(Br)C=CC=C1OC(F)F)C(=O)[O-]	REAL300012080282	0	43	0.0	-30.13	361.78	7.21	-22.92
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012080283	0	41	0.0	-39.83	340.41	7.83	-32.00
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300012080284	0	52	0.0	-35.04	391.65	8.21	-26.83
CC(C)(C)OC[C@@H]([NH2+]CC1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300012080286	0	39	0.0	-33.38	337.71	7.76	-25.62
CN(CCO)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=N1	REAL300012080287	0	50	0.0	-37.27	385.36	4.66	-32.61
COC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012080288	1	55	0.0	-32.24	396.73	8.76	-23.48
COC1=CC(C)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1O	REAL300012080290	0	47	0.0	-34.95	360.71	4.78	-30.17
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C(=O)[O-]	REAL300012080291	0	45	0.0	-31.30	362.54	6.21	-25.09
CN1C(=O)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC2=CC=CC=C21	REAL300012080292	0	48	0.0	-31.43	373.48	7.93	-23.50
CC1=CC(C)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C)=C1Br	REAL300012080293	0	48	0.0	-31.88	377.05	9.27	-22.61
CC(C)(C)OC[C@@H]([NH2+]CC=CC1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300012080294	0	46	0.0	-43.79	364.11	7.11	-36.68
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(CC2CCC2)C=C1)C(=O)[O-]	REAL300012080295	0	52	0.0	-34.67	396.90	10.61	-24.06
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012080296	0	49	0.0	-39.33	403.19	7.93	-31.40
CC(C)(C)OC[C@@H]([NH2+]CC1=C(F)C=CC(Cl)=C1F)C(=O)[O-]	REAL300012080297	0	39	0.0	-33.17	332.59	7.63	-25.54
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012080298	0	56	0.0	-39.64	428.81	7.41	-32.23
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=NN1C1CC1(F)F)C(=O)[O-]	REAL300012080299	0	43	0.0	-40.24	350.34	6.64	-33.60
CC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012080300	0	42	0.0	-28.17	344.19	6.84	-21.33
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300012080301	0	45	0.0	-39.31	360.21	8.68	-30.63
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C(=O)[O-]	REAL300012080302	0	45	0.0	-40.64	368.72	7.87	-32.77
CN1C=C(C2=NNC=C2C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=N1	REAL300012080303	0	46	0.0	-37.51	363.59	4.65	-32.86
CCCN1N=C(C)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1Cl	REAL300012080304	0	48	0.0	-35.35	388.45	7.43	-27.92
COC1=CC=C(Br)C(F)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080306	0	43	0.0	-32.22	361.06	7.15	-25.07
CC(C)(C)OC[C@@H]([NH2+]CC1=C(F)C=C(C#N)C=C1Br)C(=O)[O-]	REAL300012080307	1	40	0.0	-34.33	349.60	8.01	-26.32
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=CC(F)=C1F)C(=O)[O-]	REAL300012080308	0	39	0.0	-40.99	324.05	7.25	-33.74
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C(=O)[O-]	REAL300012080309	0	46	0.0	-37.12	372.57	9.59	-27.53
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300012080310	0	45	0.0	-36.37	359.39	9.61	-26.76
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Cl)C(Br)=C1F)C(=O)[O-]	REAL300012080311	0	39	0.0	-30.76	345.68	8.21	-22.55
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OC1CCCCC1)C(=O)[O-]	REAL300012080312	0	56	0.0	-35.79	415.35	9.93	-25.86
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300012080313	0	50	0.0	-38.48	411.20	10.45	-28.03
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1COC1CCCCC1)C(=O)[O-]	REAL300012080314	0	59	0.0	-34.17	436.65	10.65	-23.52
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012080315	0	53	0.0	-37.79	433.63	11.02	-26.77
COC1=CC=CC(OC2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C2)=C1	REAL300012080316	0	54	0.0	-40.97	423.99	9.24	-31.73
CCN1CCCC2=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C21	REAL300012080317	0	54	0.0	-35.17	394.71	8.23	-26.94
COCC1=CN=C(OC)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012080318	0	49	0.0	-31.95	385.67	3.63	-28.32
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012080320	0	54	0.0	-40.96	425.91	9.94	-31.02
COC1=C(Br)C=CC(F)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080321	0	43	0.0	-31.76	360.89	7.15	-24.61
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012080322	0	52	0.0	-34.06	415.49	11.81	-22.25
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C(=O)[O-]	REAL300012080323	0	43	0.0	-38.74	363.40	8.62	-30.12
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300012080324	0	53	0.0	-40.01	433.79	10.89	-29.12
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C(=O)[O-]	REAL300012080325	0	52	0.0	-37.91	398.99	7.76	-30.15
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Br)C=C1OC(F)F)C(=O)[O-]	REAL300012080326	0	43	0.0	-37.87	364.99	7.36	-30.51
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C2CCOCC2=C1)C(=O)[O-]	REAL300012080327	0	47	0.0	-37.08	359.50	7.17	-29.91
CC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012080328	0	45	0.0	-31.54	363.61	9.16	-22.38
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C(=O)[O-]	REAL300012080329	1	45	0.0	-41.69	361.62	5.32	-36.37
COC1=CC=C(F)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1OC	REAL300012080330	0	47	0.0	-34.28	371.30	6.45	-27.83
COC1=CC(OC)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C2=NC(Cl)=CC=C12	REAL300012080331	0	52	0.0	-39.07	420.12	6.87	-32.20
CN1C=CC(C2=NNC=C2C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=N1	REAL300012080332	0	46	0.0	-39.42	362.07	5.36	-34.06
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OCCC1CCCCC1)C(=O)[O-]	REAL300012080334	0	62	0.0	-35.46	457.98	11.40	-24.06
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(OCC2CCC2)=C1)C(=O)[O-]	REAL300012080335	0	53	0.0	-38.30	405.38	9.44	-28.86
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300012080336	0	45	0.0	-39.04	347.52	8.67	-30.37
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OCCO	REAL300012080337	0	51	0.0	-41.03	398.98	4.20	-36.83
CCN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2CC2)=N1	REAL300012080338	1	49	0.0	-38.27	381.24	7.91	-30.36
COC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1OCCO	REAL300012080339	0	51	0.0	-41.45	397.76	4.13	-37.32
CN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012080340	0	49	0.0	-43.14	390.23	5.98	-37.16
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CN=CC=C2C=C1)C(=O)[O-]	REAL300012080341	0	44	0.0	-39.94	348.00	7.63	-32.31
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012080342	0	58	0.0	-40.15	443.46	7.72	-32.43
CC1=CC2=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C2O1	REAL300012080343	0	45	0.0	-40.43	356.23	8.31	-32.12
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300012080344	0	42	0.0	-41.24	340.19	8.22	-33.02
CC(C)(C)OC[C@@H]([NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F)C(=O)[O-]	REAL300012080345	0	46	0.0	-37.29	380.68	7.86	-29.43
COC1=CSC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1OC	REAL300012080346	1	44	0.0	-36.91	356.14	5.29	-31.62
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1)C(=O)[O-]	REAL300012080347	0	48	0.0	-41.12	403.71	8.92	-32.20
CC(C)(C)OC[C@@H]([NH2+]CC1=C(Br)C=CC2=C1OCO2)C(=O)[O-]	REAL300012080348	0	42	0.0	-33.64	351.10	6.30	-27.34
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300012080351	0	42	0.0	-41.51	350.08	8.12	-33.39
CC(C)OC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1F	REAL300012080352	0	49	0.0	-36.58	381.29	8.01	-28.57
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300012080354	0	39	0.0	-31.45	332.30	7.69	-23.76
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300012080355	0	42	0.0	-41.10	339.95	8.02	-33.08
CC(C)(C)OC[C@@H]([NH2+]CC1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300012080356	0	45	0.0	-41.02	357.52	9.41	-31.61
CC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=NN1C1CCC1	REAL300012080358	0	49	0.0	-33.45	372.55	7.55	-25.90
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1)C(=O)[O-]	REAL300012080359	0	46	0.0	-37.78	381.34	8.82	-28.96
CC1=NN(C2CCCC2)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012080360	1	52	0.0	-36.99	393.88	8.18	-28.81
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=NN1CC(F)F)C(=O)[O-]	REAL300012080361	0	42	0.0	-38.82	337.89	5.96	-32.86
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Br)C=C1OC1CC1)C(=O)[O-]	REAL300012080362	0	47	0.0	-37.30	386.19	8.74	-28.56
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080363	0	49	0.0	-35.90	386.41	7.84	-28.06
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F)C(=O)[O-]	REAL300012080364	0	42	0.0	-40.74	348.51	8.63	-32.11
CC(C)(C)OC[C@@H]([NH2+]CC1=C(F)C=CC(Br)=C1Cl)C(=O)[O-]	REAL300012080365	0	39	0.0	-32.29	345.76	8.16	-24.13
CC(C)(C)OC[C@@H]([NH2+]CC1=C(F)C=CN=C1Cl)C(=O)[O-]	REAL300012080366	1	38	0.0	-33.60	321.52	5.76	-27.84
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C(=O)[O-]	REAL300012080367	0	46	0.0	-38.43	371.02	8.37	-30.06
CN(C)C1=CN=CC(F)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080368	0	46	0.0	-34.46	359.63	5.19	-29.27
COC1=NC(C)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C)=C1Cl	REAL300012080369	0	48	0.0	-34.85	376.17	5.21	-29.64
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080373	0	55	0.0	-36.79	409.37	8.70	-28.09
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300012080374	0	50	0.0	-36.89	382.42	5.81	-31.08
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080375	0	53	0.0	-37.51	400.15	6.30	-31.21
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012080376	0	44	0.0	-36.63	368.07	8.28	-28.35
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300012080380	0	54	0.0	-47.00	413.15	6.67	-40.33
CC1=NN(C2CCCC2)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080381	0	52	0.0	-37.49	392.30	8.18	-29.31
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300012080382	0	42	0.0	-38.79	330.68	8.15	-30.64
CC1=CC(Br)=C(F)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012080383	0	42	0.0	-30.17	353.52	8.47	-21.70
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Br)C(Cl)=C1F)C(=O)[O-]	REAL300012080384	0	39	0.0	-31.37	347.05	8.29	-23.08
COC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1Br	REAL300012080385	0	43	0.0	-37.61	346.85	6.88	-30.73
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(Cl)C(F)=C1F)C(=O)[O-]	REAL300012080386	0	39	0.0	-32.05	333.94	7.78	-24.27
CN1C=C(C2=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C2)C=N1	REAL300012080387	0	49	0.0	-41.91	387.13	8.45	-33.46
COC1=CC(F)=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1Br	REAL300012080388	0	43	0.0	-37.84	361.26	7.09	-30.75
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)C(=O)[O-]	REAL300012080389	0	49	0.0	-46.85	393.56	9.57	-37.28
CC1=CC=C(Br)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080390	0	42	0.0	-32.14	339.76	8.28	-23.86
COC1=C(C#N)C=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080391	0	44	0.0	-41.97	355.13	6.95	-35.02
COC1=NC2=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C2S1	REAL300012080392	0	45	0.0	-40.35	370.20	4.91	-35.44
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012080393	0	38	0.0	-41.20	322.13	5.81	-35.39
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C(=O)[O-]	REAL300012080394	0	39	0.0	-36.74	340.37	8.11	-28.63
CC1=NC(Cl)=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080395	0	41	0.0	-38.62	330.53	6.28	-32.34
CC(C)(C)COC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012080396	0	55	0.0	-37.70	417.57	9.43	-28.27
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=CC(Cl)=C1F)C(=O)[O-]	REAL300012080397	0	39	0.0	-39.38	350.04	8.29	-31.09
COC1=CC(Cl)=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012080398	0	43	0.0	-36.42	352.02	6.91	-29.51
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C(=O)[O-]	REAL300012080399	0	42	0.0	-43.47	355.09	8.37	-35.10
COC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CC(F)=C1F	REAL300012080400	0	43	0.0	-43.87	349.02	6.59	-37.28
CN1N=CC=C1C1=NNC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080401	0	46	0.0	-44.14	368.83	4.71	-39.43
COC(=O)C1=C(C)NC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1C	REAL300012080402	0	49	0.0	-41.47	390.68	6.85	-34.62
CC1=CC(Br)=CC(C)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080403	0	45	0.0	-33.25	361.25	8.82	-24.43
CC(C)(C)OC[C@@H]([NH2+]CC1=C(O)C=CC(F)=C1Br)C(=O)[O-]	REAL300012080404	0	40	0.0	-39.23	338.95	4.86	-34.37
CC(C)(C)OC[C@@H]([NH2+]CC1=C(Cl)C=CC2=C1OCO2)C(=O)[O-]	REAL300012080405	0	42	0.0	-34.33	347.08	6.22	-28.11
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300012080406	0	55	0.0	-34.66	407.63	10.89	-23.77
COC1=CC=CC=C1C=CC[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080407	0	47	0.0	-41.15	366.42	7.81	-33.34
CC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])SC(Br)=C1	REAL300012080408	0	39	0.0	-30.99	335.60	7.47	-23.52
CC1=NN(C2CCC2)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080409	0	49	0.0	-37.99	374.78	7.51	-30.48
CC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=NN1CC(F)F	REAL300012080410	0	45	0.0	-36.86	361.28	6.55	-30.31
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300012080411	0	47	0.0	-39.75	374.97	7.43	-32.32
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080414	1	46	0.0	-42.63	370.32	6.41	-36.22
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012080415	0	52	0.0	-36.56	408.58	11.56	-25.00
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CC(Cl)=C1Br)C(=O)[O-]	REAL300012080416	0	39	0.0	-34.65	349.80	8.47	-26.18
CCCCC(=O)NC1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012080417	0	55	0.0	-44.70	425.45	8.35	-36.35
CCN(C)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C)=C1	REAL300012080418	0	53	0.0	-33.22	391.76	9.02	-24.20
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=CN=C1Br)C(=O)[O-]	REAL300012080419	0	38	0.0	-29.10	333.06	6.27	-22.83
CC(C)(C)OC[C@@H]([NH2+]CC1=CN(C(C)(C)C)N=C1C(C)(C)C)C(=O)[O-]	REAL300012080421	1	60	0.0	-34.14	432.55	9.35	-24.79
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300012080423	0	43	0.0	-37.30	369.03	7.51	-29.79
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C(=O)[O-]	REAL300012080424	0	49	0.0	-38.95	395.58	9.98	-28.97
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C2SC=CC2=C1)C(=O)[O-]	REAL300012080425	0	42	0.0	-37.51	343.92	8.52	-28.99
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300012080426	0	48	0.0	-39.13	375.20	8.75	-30.38
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	REAL300012080427	0	61	0.0	-38.26	464.72	11.99	-26.27
CC1=CC=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1C(F)(F)F	REAL300012080428	0	45	0.0	-39.32	351.44	8.72	-30.60
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300012080429	0	42	0.0	-37.10	356.94	8.52	-28.58
CCC(C)C1=CC=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=C1	REAL300012080430	0	51	0.0	-34.70	384.46	9.69	-25.01
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=NC=C(Br)C=C2O1)C(=O)[O-]	REAL300012080431	1	41	0.0	-36.44	350.95	6.47	-29.97
CC(C)(C)OC[C@@H]([NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1)C(=O)[O-]	REAL300012080432	0	44	0.0	-41.85	371.54	7.43	-34.42
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=C(CCOC2)N=C1Cl)C(=O)[O-]	REAL300012080433	0	46	0.0	-30.38	366.68	5.73	-24.65
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC(Br)=CC=C2S1)C(=O)[O-]	REAL300012080434	0	42	0.0	-33.95	364.44	9.23	-24.72
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=CC(F)=C1F)C(=O)[O-]	REAL300012080437	0	39	0.0	-40.13	338.94	7.79	-32.34
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300012080438	0	39	0.0	-32.55	347.62	8.27	-24.28
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300012080439	0	49	0.0	-32.39	358.42	9.39	-23.00
CC(C)(C)OC[C@@H]([NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012080440	0	41	0.0	-38.97	355.30	8.37	-30.60
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080441	0	46	0.0	-38.06	366.87	9.05	-29.01
COC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=CC(Br)=C1F	REAL300012080442	0	43	0.0	-40.31	363.39	7.22	-33.09
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C(=O)[O-]	REAL300012080443	0	42	0.0	-45.64	350.49	8.17	-37.47
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C(=O)[O-]	REAL300012080444	0	45	0.0	-48.22	359.37	7.07	-41.15
CC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012080445	0	48	0.0	-33.68	360.18	9.70	-23.98
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080446	1	57	0.0	-37.06	431.35	8.77	-28.29
CC(C)(C)OC[C@@H]([NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C(=O)[O-]	REAL300012080447	0	45	0.0	-39.81	370.33	9.86	-29.95
COC1=C2C=CNC2=CC=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080448	0	47	0.0	-31.93	367.84	6.59	-25.34
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C(=O)[O-]	REAL300012080449	0	52	0.0	-36.63	393.39	4.09	-32.54
COC1=CC=C(OC)C(OC)=C1C[NH2+][C@H](COC(C)(C)C)C(=O)[O-]	REAL300012080450	0	51	0.0	-32.18	392.92	5.71	-26.47
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1)C(=O)[O-]	REAL300012080451	0	56	0.0	-44.50	415.60	9.29	-35.21
CC(C)(C)OC[C@@H]([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F)C(=O)[O-]	REAL300012080452	0	53	0.0	-32.87	414.72	10.48	-22.39
CC1=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012080453	0	47	0.0	-29.09	357.57	8.05	-21.04
CC1=CC(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012080454	0	48	0.0	-40.37	377.35	8.42	-31.95
COC(=O)C1=CN(C)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1	REAL300012080455	0	46	0.0	-46.88	367.70	7.22	-39.66
COC1=CC=C(Br)C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])=C1O	REAL300012080456	0	44	0.0	-32.67	363.99	4.83	-27.84
CN1C=C(C[NH2+][C@H](COC(C)(C)C)C(=O)[O-])C(C2CCC2)=N1	REAL300012080457	1	49	0.0	-37.67	375.16	7.45	-30.22
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=NS2)C=C1Br	REAL300012080469	0	33	0.0	-36.56	310.97	6.61	-29.95
O=C([O-])C([NH2+]CC1=CC=C(F)C(Cl)=C1)C1=CC=NS1	REAL300012080498	0	29	0.0	-37.27	284.97	7.24	-30.03
O=C([O-])C([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C1=CC=NS1	REAL300012080499	0	32	0.0	-39.77	306.69	7.73	-32.04
O=C([O-])C([NH2+]CC1=CC(F)=C(F)C(F)=C1)C1=CC=NS1	REAL300012080501	1	29	0.0	-38.14	281.38	6.87	-31.27
O=C([O-])C([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C1=CC=NS1	REAL300012080502	0	32	0.0	-34.51	307.54	7.74	-26.77
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(F)=C1)C1=CC=NS1	REAL300012080506	0	29	0.0	-37.34	284.97	7.25	-30.09
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=NS2)C=C1Cl	REAL300012080515	0	33	0.0	-36.63	306.59	6.50	-30.13
O=C([O-])C([NH2+]CC=CC1=CC=C(F)C=C1F)C1=CC=NS1	REAL300012080552	0	33	0.0	-33.68	303.42	8.01	-25.67
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=NS1	REAL300012080571	0	35	0.0	-32.50	315.97	8.29	-24.21
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=NS2)C=C1OC(F)F	REAL300012080581	0	37	0.0	-32.39	329.57	6.14	-26.25
CC(CCC1=CC=CC=C1)C[NH2+]C(C(=O)[O-])C1=CC=NS1	REAL300012080589	0	41	0.0	-34.34	341.42	9.55	-24.79
O=C([O-])C([NH2+]CC1CCC(C(F)(F)F)CC1)C1=CC=NS1	REAL300012080599	0	38	0.0	-37.99	311.94	7.64	-30.35
CC(C[NH2+]C(C(=O)[O-])C1=CC=NS1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012080617	0	50	0.0	-32.09	395.35	11.04	-21.05
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=NS1	REAL300012080624	0	29	0.0	-32.59	294.52	7.66	-24.93
O=C([O-])C([NH2+]CC1=CC(F)=CC(Cl)=C1)C1=CC=NS1	REAL300012080625	0	29	0.0	-32.82	283.61	7.20	-25.62
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=CC=NS1	REAL300012080628	0	35	0.0	-35.44	338.85	8.65	-26.79
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=CC=NS1	REAL300012080632	0	32	0.0	-38.93	314.27	8.09	-30.84
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CC=NS1	REAL300012080634	0	33	0.0	-32.04	308.40	6.48	-25.56
O=C([O-])C([NH2+]CC1=CC=C(Br)C(F)=C1)C1=CC=NS1	REAL300012080646	0	29	0.0	-37.22	289.38	7.35	-29.87
C[NH+]1CCN(C2=CC=C(CNC(C(=O)[O-])C3=CC=NS3)C=C2)CC1	REAL300012080650	0	46	0.0	-71.41	373.15	6.66	-64.75
O=C([O-])C([NH2+]CC1=CC=C(F)C(Br)=C1)C1=CC=NS1	REAL300012080674	0	29	0.0	-37.30	289.38	7.34	-29.96
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=NS2)C=C1Cl	REAL300012080693	0	37	0.0	-37.12	342.67	8.04	-29.08
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)C1=CC=NS1	REAL300012080699	0	32	0.0	-33.82	317.86	8.18	-25.64
O=C([O-])C([NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1)C1=CC=NS1	REAL300012080700	0	32	0.0	-33.87	322.42	8.28	-25.59
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C1=CC=NS1	REAL300012080706	0	33	0.0	-36.38	317.66	6.80	-29.58
CC(C)(C)C1CCC(C[NH2+]C(C(=O)[O-])C2=CC=NS2)CC1	REAL300012080731	0	47	0.0	-30.75	340.89	8.62	-22.13
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(Br)=C1)C1=CC=NS1	REAL300012080732	0	33	0.0	-36.36	322.05	6.93	-29.43
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(Br)=C1)C1=CC=NS1	REAL300012080743	0	29	0.0	-36.31	298.50	7.75	-28.56
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1)C1=CC=NS1	REAL300012080763	0	32	0.0	-34.29	299.78	7.65	-26.64
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(Cl)=C1)C1=CC=NS1	REAL300012080765	0	29	0.0	-36.27	294.29	7.65	-28.62
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)F)=C1)C1=CC=NS1	REAL300012080773	0	32	0.0	-31.26	299.20	7.61	-23.65
O=C([O-])C([NH2+]CC1=CC(F)=CC(Br)=C1)C1=CC=NS1	REAL300012080815	0	29	0.0	-32.89	288.17	7.30	-25.59
O=C([O-])C([NH2+]CC1=CC=C(Br)C(Cl)=C1)C1=CC=NS1	REAL300012080843	0	29	0.0	-35.78	297.18	7.72	-28.06
O=C([O-])C([NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C1=CC=NS1	REAL300012080856	1	29	0.0	-36.57	291.06	7.54	-29.03
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=NS2)SC2=C(Cl)C=CC=C12	REAL300012080864	1	35	0.0	-35.13	330.92	9.17	-25.96
O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=NS1	REAL300012080867	0	32	0.0	-34.90	300.64	5.75	-29.15
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=NS1	REAL300012080888	1	29	0.0	-32.11	291.68	6.79	-25.32
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=NS2)=CC(C(F)(F)F)=C1	REAL300012080895	0	36	0.0	-33.01	328.69	6.91	-26.10
O=C([O-])C([NH2+]CC1=CN=C(Cl)C(F)=C1)C1=CC=NS1	REAL300012080920	1	28	0.0	-37.55	279.99	5.37	-32.18
O=C([O-])C(NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1=CC=NS1	REAL300012080959	0	48	0.0	-69.18	395.85	8.34	-60.84
O=C([O-])C([NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1)C1=CC=NS1	REAL300012080963	0	43	0.0	-40.08	390.33	10.04	-30.04
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(C(=O)[O-])C1=CC=NS1	REAL300012080968	0	39	0.0	-37.45	344.11	9.31	-28.14
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(C(=O)[O-])C1=CC=NS1	REAL300012080972	1	40	0.0	-35.51	349.01	8.08	-27.43
COCC1=CC=CC=C1C=C(C)C[NH2+]C(C(=O)[O-])C1=CC=NS1	REAL300012080973	1	43	0.0	-33.04	360.16	8.27	-24.77
CC(C)(C)OC(=O)NC(C[NH2+]C(C(=O)[O-])C1=CC=NS1)CC(F)F	REAL300012080989	0	45	0.0	-37.22	367.64	5.44	-31.78
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C(F)=C1)C1=CC=NS1	REAL300012081004	0	32	0.0	-42.36	301.80	7.65	-34.71
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Br)=C1)C1=CC=NS1	REAL300012081031	0	29	0.0	-32.15	298.49	7.74	-24.41
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C1=CC=NS1	REAL300012081037	1	32	0.0	-28.21	323.28	8.48	-19.73
O=C([O-])C([NH2+]CC1=CC=C(F)C(Br)=C1F)C1=CC=NS1	REAL300012081039	1	29	0.0	-40.39	293.15	7.39	-33.00
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(C(=O)[O-])C2=CC=NS2)CC1	REAL300012081042	0	49	0.0	-37.51	386.07	7.70	-29.81
O=C([O-])C([NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C1=CC=NS1	REAL300012081044	0	35	0.0	-35.62	334.35	4.54	-31.08
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1=CC=NS1	REAL300012081054	0	35	0.0	-31.09	331.67	8.50	-22.59
C[NH+](C)CCC1=CC=C(CNC(C(=O)[O-])C2=CC=NS2)C=C1	REAL300012081059	0	43	0.0	-72.71	363.17	8.29	-64.42
O=C([O-])C([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C1=CC=NS1	REAL300012081066	1	39	0.0	-28.93	333.54	8.72	-20.21
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=NS1	REAL300012081082	0	36	0.0	-39.01	318.16	6.60	-32.41
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(Br)=C1F)C1=CC=NS1	REAL300012081092	1	29	0.0	-38.50	300.34	7.73	-30.77
O=C([O-])C([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1=CC=NS1	REAL300012081098	0	33	0.0	-32.52	318.80	8.14	-24.38
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1OC(F)F)C1=CC=NS1	REAL300012081101	1	33	0.0	-30.82	319.64	6.88	-23.94
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=NS2)SC2=CC(F)=CC=C12	REAL300012081103	1	35	0.0	-34.43	321.00	8.75	-25.68
O=C([O-])C([NH2+]CC1=CC=C(F)C(Cl)=C1F)C1=CC=NS1	REAL300012081117	1	29	0.0	-40.47	288.88	7.29	-33.18
O=C([O-])C([NH2+]CC1=CC=C(Br)C(Cl)=C1F)C1=CC=NS1	REAL300012081138	1	29	0.0	-38.45	300.50	7.74	-30.71
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(F)=C1F)C1=CC=NS1	REAL300012081140	1	29	0.0	-40.17	287.40	7.23	-32.94
O=C([O-])C([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=CC=NS1	REAL300012081152	1	32	0.0	-28.84	312.01	7.97	-20.87
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=NS2)=CC(F)=C1F	REAL300012081153	1	33	0.0	-36.19	302.48	6.05	-30.14
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=CC=NS1	REAL300012081170	0	33	0.0	-35.71	323.08	6.99	-28.72
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(C(=O)[O-])C1=CC=NS1	REAL300012081187	0	36	0.0	-35.22	322.26	8.57	-26.65
CC1=CC=C(N2C=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012081199	0	55	0.0	-50.13	410.24	11.89	-38.24
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012081200	0	51	0.0	-53.15	403.11	10.81	-42.34
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081201	0	43	0.0	-45.16	363.29	9.72	-35.44
COC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081202	0	54	0.0	-56.96	427.81	11.49	-45.47
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012081203	0	50	0.0	-54.69	398.74	12.20	-42.49
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012081204	0	51	0.0	-51.94	419.84	11.33	-40.61
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCC1=CC=C(F)C=C1	REAL300012081205	0	51	0.0	-52.49	409.52	10.87	-41.62
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=C2)C=C1	REAL300012081206	0	51	0.0	-54.48	403.81	8.96	-45.52
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(NC(=O)C2=CC=CC=C2Cl)=CC=C1	REAL300012081207	0	47	0.0	-54.51	386.90	10.17	-44.34
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCC(=O)N1CCOCC1	REAL300012081208	0	56	0.0	-60.69	432.23	7.86	-52.83
N#CCCN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012081209	0	47	0.0	-59.21	385.19	10.15	-49.06
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC(F)F	REAL300012081210	0	41	0.0	-53.40	331.10	7.11	-46.29
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC(Cl)=C1	REAL300012081211	0	50	0.0	-45.36	414.72	12.69	-32.67
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012081212	0	49	0.0	-57.40	392.74	10.44	-46.96
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(Cl)C=C1	REAL300012081213	0	50	0.0	-56.38	415.08	12.72	-43.66
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1	REAL300012081214	0	40	0.0	-46.59	344.07	10.14	-36.45
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(Br)=C1OC	REAL300012081215	0	44	0.0	-54.06	367.53	8.50	-45.56
CCOC1=C(Br)C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300012081216	0	44	0.0	-53.97	367.46	8.54	-45.43
C=CCOC1=C(Br)C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300012081217	0	45	0.0	-54.30	380.36	9.12	-45.18
C=CCOC1=C(Br)C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OCC	REAL300012081218	0	48	0.0	-54.12	402.28	10.03	-44.09
CCCOC1=C(Br)C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300012081219	0	47	0.0	-53.84	388.95	9.34	-44.50
CCCOC1=CC=C(Br)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081220	0	43	0.0	-45.59	356.06	9.32	-36.27
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012081221	0	47	0.0	-47.01	372.51	10.98	-36.03
CCCCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081222	0	49	0.0	-48.36	378.45	10.22	-38.14
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012081223	0	42	0.0	-51.19	350.97	10.19	-41.00
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012081224	0	42	0.0	-52.40	350.96	10.19	-42.21
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300012081225	0	37	0.0	-48.77	312.52	7.60	-41.17
CCCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300012081226	0	50	0.0	-50.49	386.19	9.33	-41.16
CCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300012081227	0	47	0.0	-50.55	364.70	8.55	-42.00
C=CCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300012081228	0	45	0.0	-50.94	356.10	8.33	-42.61
CCCCCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300012081229	0	56	0.0	-50.44	429.19	10.90	-39.54
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012081230	0	40	0.0	-46.53	339.50	10.04	-36.49
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012081231	0	40	0.0	-45.22	339.65	10.08	-35.14
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1	REAL300012081232	0	40	0.0	-46.89	344.07	10.14	-36.75
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012081233	0	40	0.0	-44.85	346.92	10.94	-33.91
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(OC)=C1OCC1=CC=CC=C1	REAL300012081234	0	55	0.0	-55.21	436.26	10.74	-44.47
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012081235	0	42	0.0	-49.47	346.90	10.81	-38.66
CN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012081236	0	52	0.0	-59.87	404.73	8.73	-51.14
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012081237	0	39	0.0	-44.39	333.84	8.49	-35.90
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012081238	0	37	0.0	-49.53	307.24	7.49	-42.04
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012081239	0	37	0.0	-47.61	318.74	9.10	-38.51
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012081240	0	40	0.0	-60.02	321.63	5.34	-54.68
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012081241	0	37	0.0	-48.16	308.34	7.43	-40.73
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012081242	0	42	0.0	-50.69	358.37	11.09	-39.60
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012081243	0	42	0.0	-49.11	355.39	10.98	-38.13
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012081244	0	40	0.0	-56.73	325.72	7.55	-49.18
COC1=CC=C(C2=NNC=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081245	0	44	0.0	-56.10	348.77	6.78	-49.32
CCOC1=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C)=NN1CC(C)C	REAL300012081246	0	52	0.0	-45.00	399.51	8.20	-36.80
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012081247	0	46	0.0	-50.43	363.44	6.64	-43.79
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012081248	0	48	0.0	-51.37	371.14	8.15	-43.22
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012081249	0	40	0.0	-45.33	336.60	10.49	-34.84
CC1=CC=CC(C2=NN(C3=CC=C(F)C=C3)C=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081250	0	53	0.0	-48.58	425.82	12.91	-35.67
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012081251	0	46	0.0	-46.66	365.28	9.28	-37.38
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081252	0	42	0.0	-45.29	333.40	6.64	-38.65
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)S1	REAL300012081253	0	40	0.0	-44.94	351.48	11.04	-33.90
CC(C)N1N=CC2=CC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=C(Cl)N=C21	REAL300012081254	0	44	0.0	-50.26	360.50	8.75	-41.51
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012081255	0	40	0.0	-45.97	347.30	10.94	-35.03
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012081256	0	50	0.0	-53.84	397.99	9.04	-44.80
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012081257	0	40	0.0	-46.92	339.77	10.59	-36.33
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2Br)S1	REAL300012081258	0	40	0.0	-45.94	350.90	10.99	-34.95
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012081259	0	36	0.0	-43.10	313.16	9.11	-33.99
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012081260	0	36	0.0	-56.21	305.95	8.69	-47.52
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012081261	0	36	0.0	-48.20	297.52	8.76	-39.44
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012081262	0	36	0.0	-52.57	307.73	8.70	-43.87
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012081263	0	36	0.0	-45.32	305.82	8.67	-36.65
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(Cl)=C1OC	REAL300012081264	0	41	0.0	-53.48	337.17	7.41	-46.07
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081265	0	49	0.0	-44.18	397.85	10.92	-33.26
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)S1	REAL300012081266	0	40	0.0	-46.46	351.74	11.04	-35.42
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012081267	0	37	0.0	-48.27	317.85	7.78	-40.49
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012081268	0	40	0.0	-46.45	347.17	10.93	-35.52
N#CC1=CC=CC(COC2=CC=CC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=C2)=C1	REAL300012081269	0	48	0.0	-50.60	394.72	11.30	-39.30
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012081270	0	43	0.0	-51.62	345.08	6.15	-45.47
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012081271	0	44	0.0	-53.45	362.77	8.21	-45.24
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012081272	0	46	0.0	-52.41	368.75	9.15	-43.26
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012081273	0	39	0.0	-53.91	326.50	7.45	-46.46
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=C2OCCCOC2=C1	REAL300012081274	0	42	0.0	-55.99	344.95	8.22	-47.77
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012081275	0	43	0.0	-61.05	361.19	9.79	-51.26
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012081276	0	38	0.0	-44.97	322.86	6.56	-38.41
CC(C)N1C2=CC=CC=C2N=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081277	0	45	0.0	-52.59	343.61	9.18	-43.41
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300012081278	0	49	0.0	-52.94	380.70	7.56	-45.38
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012081279	0	40	0.0	-51.50	333.51	8.33	-43.17
CCCN1C2=CC=CC=C2N=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081280	0	45	0.0	-45.55	353.78	9.63	-35.92
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(Br)=C1OC(F)F	REAL300012081281	0	41	0.0	-55.87	353.01	7.86	-48.01
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012081282	0	40	0.0	-45.99	328.64	10.22	-35.77
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012081283	0	47	0.0	-47.45	356.63	9.82	-37.63
CN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012081284	0	46	0.0	-55.04	372.11	9.64	-45.40
CC1=CC=C(C2=NC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=CS2)C=C1	REAL300012081285	0	42	0.0	-43.18	348.83	9.10	-34.08
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012081286	0	47	0.0	-48.14	377.57	11.08	-37.06
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012081287	0	43	0.0	-44.68	359.02	7.94	-36.74
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012081288	0	42	0.0	-45.16	366.12	9.43	-35.73
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1	REAL300012081289	0	43	0.0	-45.08	375.75	8.46	-36.62
CC1=CC=C(OCC2=NC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=CS2)C=C1	REAL300012081290	0	46	0.0	-44.60	380.42	8.62	-35.98
COC1=CC=C(OCC2=NC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=CS2)C=C1	REAL300012081291	0	47	0.0	-46.11	388.52	7.23	-38.88
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012081292	0	36	0.0	-42.95	318.47	7.36	-35.59
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012081293	0	40	0.0	-47.26	336.86	10.48	-36.78
CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081294	0	47	0.0	-57.62	368.62	8.49	-49.13
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C([N+](=O)[O-])C=C1OCC(F)(F)F	REAL300012081295	0	46	0.0	-60.72	383.04	8.75	-51.97
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012081296	0	47	0.0	-44.80	355.23	9.89	-34.91
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081297	0	50	0.0	-46.31	394.67	8.55	-37.76
CC1=CC=C(C2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])S2)C=C1	REAL300012081298	0	43	0.0	-45.26	351.84	11.09	-34.17
COC1=CC(OC2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C=C2)=CC(OC)=C1	REAL300012081299	0	52	0.0	-52.27	410.01	9.09	-43.18
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012081300	0	39	0.0	-52.18	328.63	7.93	-44.25
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081301	0	37	0.0	-49.10	324.84	8.06	-41.04
CCOCCOC1=CC=C(Br)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081302	0	47	0.0	-46.43	390.04	8.76	-37.67
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012081303	0	33	0.0	-46.09	296.53	8.69	-37.40
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012081304	0	33	0.0	-45.78	295.55	8.68	-37.10
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012081305	0	44	0.0	-48.77	364.11	10.63	-38.14
CCOC1=C(OC)C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300012081306	0	48	0.0	-53.98	376.35	7.69	-46.29
COCCCOC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081307	0	47	0.0	-47.08	369.12	7.73	-39.35
COC1=CC=C(OC(F)F)C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081308	0	41	0.0	-48.04	330.60	6.55	-41.49
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(Br)=C1OC(F)F	REAL300012081309	0	37	0.0	-45.92	318.15	7.92	-38.00
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012081310	0	37	0.0	-41.88	315.19	7.67	-34.21
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012081311	0	53	0.0	-46.95	416.85	12.47	-34.48
CC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012081312	0	46	0.0	-51.27	366.25	9.44	-41.83
O=C(COC1=CC=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-])NCC1CC1	REAL300012081313	0	51	0.0	-56.94	404.28	8.91	-48.03
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])S2)C=C1	REAL300012081314	0	42	0.0	-47.96	349.02	9.33	-38.63
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012081315	0	38	0.0	-46.48	319.03	8.65	-37.83
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012081316	0	38	0.0	-50.27	317.50	8.58	-41.69
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012081317	0	40	0.0	-47.23	337.25	9.69	-37.54
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])O1	REAL300012081318	0	43	0.0	-46.69	349.71	10.27	-36.42
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])O2)C=C1	REAL300012081319	0	46	0.0	-45.55	365.66	10.96	-34.59
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(OC(F)F)=C1	REAL300012081320	0	41	0.0	-51.49	329.81	6.55	-44.94
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012081321	0	41	0.0	-48.42	329.31	9.40	-39.02
CC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300012081322	0	36	0.0	-49.39	302.09	8.82	-40.57
CC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300012081323	0	36	0.0	-51.75	301.12	8.82	-42.93
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])O2)C=C1	REAL300012081324	0	52	0.0	-45.44	398.89	11.84	-33.60
CC1=CC=C(C)C(OC2=CC=CC(Cl)=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300012081325	0	53	0.0	-38.80	422.09	12.92	-25.88
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081326	0	53	0.0	-42.38	394.40	10.67	-31.71
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081327	0	53	0.0	-44.11	403.24	10.77	-33.34
CC1=CC=CC(COC2=C(C)C=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C=C2C)=C1	REAL300012081328	0	56	0.0	-49.61	437.06	13.10	-36.51
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300012081329	0	56	0.0	-50.11	432.31	13.08	-37.03
CC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300012081330	0	53	0.0	-49.83	429.31	12.98	-36.85
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081331	0	51	0.0	-47.17	397.46	12.41	-34.76
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081332	0	49	0.0	-46.77	401.37	10.75	-36.02
CCN(CC)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300012081333	0	47	0.0	-48.57	363.06	8.80	-39.77
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C(SC)C=C1OC	REAL300012081334	0	45	0.0	-49.67	357.47	7.75	-41.92
COC1=CC=C2N=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])SC2=C1	REAL300012081335	0	39	0.0	-51.07	323.28	6.45	-44.62
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081336	0	39	0.0	-53.69	325.48	8.50	-45.19
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012081337	0	37	0.0	-48.78	312.42	8.90	-39.88
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012081338	0	37	0.0	-52.55	308.08	7.28	-45.27
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081339	0	39	0.0	-49.69	316.67	9.18	-40.51
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(Cl)=C1OC	REAL300012081340	0	41	0.0	-54.30	341.30	7.47	-46.83
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC(C)C(=O)N(C)C	REAL300012081341	0	57	0.0	-60.43	434.14	9.48	-50.95
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=CC=C1OC(F)F	REAL300012081342	0	37	0.0	-48.15	322.43	7.89	-40.26
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081343	0	49	0.0	-44.20	403.75	10.82	-33.38
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OCC(C)C	REAL300012081344	0	50	0.0	-50.36	384.80	9.23	-41.13
CCCOC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC	REAL300012081345	0	47	0.0	-50.53	364.70	8.55	-41.98
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Br)S1	REAL300012081346	0	30	0.0	-45.53	274.49	7.46	-38.07
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(Cl)=C1OC	REAL300012081347	0	44	0.0	-54.24	363.15	8.39	-45.85
COC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1OC(C)C	REAL300012081348	0	47	0.0	-49.70	361.33	8.66	-41.04
CCOC1=C(Cl)C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300012081349	0	44	0.0	-54.10	363.15	8.43	-45.67
CCCOC1=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=CC=C1OCC	REAL300012081350	0	50	0.0	-50.35	387.15	9.55	-40.80
CCCCOC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC	REAL300012081351	0	50	0.0	-50.75	386.19	9.33	-41.42
CCCOC1=C(Cl)C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OCC	REAL300012081352	0	50	0.0	-53.95	406.50	10.15	-43.80
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081353	0	49	0.0	-49.36	397.58	11.24	-38.12
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC(F)F	REAL300012081354	0	41	0.0	-47.73	331.10	7.12	-40.61
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC(F)F	REAL300012081355	0	44	0.0	-53.25	352.96	8.03	-45.22
CC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012081356	0	43	0.0	-49.95	341.14	8.69	-41.26
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300012081357	0	39	0.0	-44.44	348.73	9.04	-35.40
CC1=CC=C(C2=NN(C3=CC=C(F)C=C3)C=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081358	0	53	0.0	-56.31	426.48	12.92	-43.39
CCOC1=CC2=C(C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-])OC(C)C2	REAL300012081359	0	48	0.0	-45.03	369.38	8.51	-36.52
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC2=C1OCCO2	REAL300012081360	0	43	0.0	-56.49	335.35	6.65	-49.84
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012081361	0	42	0.0	-50.65	357.30	9.08	-41.57
CCCCN1N=C(C)C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300012081362	0	45	0.0	-43.18	366.55	8.72	-34.46
CCOC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1OC(F)F	REAL300012081363	0	44	0.0	-49.79	351.92	8.11	-41.68
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012081364	0	51	0.0	-58.05	396.79	9.79	-48.26
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300012081365	0	56	0.0	-47.52	436.36	13.41	-34.11
CC1=CC=CC(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081366	0	56	0.0	-46.89	444.83	13.31	-33.58
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012081367	0	53	0.0	-55.38	424.23	12.65	-42.73
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012081368	0	40	0.0	-45.30	330.43	10.41	-34.89
CCCOC1=C(Cl)C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300012081369	0	47	0.0	-53.98	384.65	9.23	-44.75
CC1=CC=C(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081370	0	56	0.0	-55.18	445.20	13.33	-41.85
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081371	0	55	0.0	-50.54	413.85	11.69	-38.85
CC(C)(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081372	0	52	0.0	-42.29	405.47	11.33	-30.96
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081373	0	52	0.0	-43.57	423.24	11.42	-32.15
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012081374	0	40	0.0	-48.14	337.48	9.70	-38.44
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081375	0	56	0.0	-48.01	431.24	10.07	-37.94
CN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2CCCCC2)=N1	REAL300012081376	0	49	0.0	-50.52	370.07	9.16	-41.36
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081377	0	52	0.0	-52.62	400.94	11.91	-40.71
CC1(C)CCC2=C(C1)SC(C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-])=N2	REAL300012081378	0	45	0.0	-46.41	346.77	8.29	-38.12
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012081379	0	40	0.0	-55.55	336.03	8.00	-47.55
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCC1=C(C)ON=C1C	REAL300012081380	0	53	0.0	-55.20	420.39	9.58	-45.62
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012081381	0	40	0.0	-46.06	331.20	9.64	-36.42
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012081382	0	39	0.0	-54.25	322.12	7.32	-46.93
CCCCC1=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2O1	REAL300012081383	0	48	0.0	-47.56	370.71	11.14	-36.42
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012081384	0	46	0.0	-57.07	369.96	12.27	-44.80
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012081385	0	48	0.0	-52.03	393.34	9.88	-42.15
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081386	0	46	0.0	-52.10	366.66	9.83	-42.27
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012081387	0	42	0.0	-56.23	340.56	8.11	-48.12
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300012081388	0	47	0.0	-47.50	387.02	11.50	-36.00
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012081389	0	40	0.0	-53.49	339.75	8.40	-45.09
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012081390	0	39	0.0	-49.05	339.02	8.22	-40.83
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012081391	0	39	0.0	-48.41	338.02	8.03	-40.38
CC1=CC(Br)=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1OC(F)F	REAL300012081392	0	40	0.0	-44.69	337.76	8.50	-36.19
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012081393	0	30	0.0	-48.32	290.32	7.94	-40.38
CC1=CC=C(SC2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012081394	0	49	0.0	-57.05	405.15	12.70	-44.35
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012081395	0	50	0.0	-55.90	397.76	12.54	-43.36
COC1=CC=C(C2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012081396	0	46	0.0	-50.06	376.34	10.10	-39.96
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012081397	0	40	0.0	-48.00	354.66	10.49	-37.51
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1	REAL300012081398	0	46	0.0	-58.63	383.34	11.80	-46.83
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC2=CC=CC=C2Cl)C([N+](=O)[O-])=C1	REAL300012081399	0	46	0.0	-65.43	394.84	12.31	-53.12
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081400	0	46	0.0	-47.67	381.38	10.12	-37.55
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081401	0	46	0.0	-47.81	396.04	10.60	-37.21
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CS1	REAL300012081402	0	50	0.0	-52.53	411.23	11.91	-40.62
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012081403	0	52	0.0	-46.14	418.22	10.87	-35.27
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081404	0	43	0.0	-50.35	373.75	10.17	-40.18
CC1=NN(CC2=CC=C(Cl)C=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081405	0	46	0.0	-44.96	399.08	10.67	-34.29
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300012081406	0	47	0.0	-50.51	361.14	8.37	-42.14
CCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OCC	REAL300012081407	0	50	0.0	-50.49	386.55	9.47	-41.02
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081408	0	46	0.0	-45.61	388.74	10.21	-35.40
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Br)C(Br)=C1	REAL300012081409	0	33	0.0	-49.69	302.86	8.80	-40.89
CCCCCCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081410	0	55	0.0	-48.24	421.44	11.78	-36.46
CC(C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012081411	0	54	0.0	-46.37	395.46	12.00	-34.37
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Br)C=CS1	REAL300012081412	0	30	0.0	-44.48	272.27	7.27	-37.21
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012081413	0	46	0.0	-45.96	347.08	7.18	-38.78
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(F)=CC=C1Br	REAL300012081414	0	33	0.0	-46.38	285.21	8.24	-38.14
CC1=CC=C(C2=CC=CC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=C2)C=C1	REAL300012081415	0	46	0.0	-47.93	358.08	11.71	-36.22
COC1=CC=C(Br)C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081416	0	37	0.0	-39.87	307.06	7.50	-32.37
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081417	0	46	0.0	-47.34	359.14	11.68	-35.66
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012081418	0	39	0.0	-56.63	339.47	9.64	-46.99
CCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OCC	REAL300012081419	0	47	0.0	-50.70	365.05	8.67	-42.03
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012081420	0	36	0.0	-55.26	313.53	9.05	-46.21
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(F)C=C1Br	REAL300012081421	0	33	0.0	-49.97	285.20	8.24	-41.73
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012081422	0	37	0.0	-48.34	308.59	7.43	-40.91
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081423	0	47	0.0	-51.35	369.91	10.69	-40.66
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012081424	0	43	0.0	-46.97	361.81	10.54	-36.43
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(Br)=C1O	REAL300012081425	0	38	0.0	-52.36	318.15	5.34	-47.02
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CSC(Br)=C1	REAL300012081426	0	30	0.0	-46.99	274.24	7.32	-39.67
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012081427	0	50	0.0	-55.04	397.81	9.02	-46.02
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300012081428	0	40	0.0	-46.85	362.33	11.38	-35.47
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300012081429	0	46	0.0	-49.25	384.71	9.71	-39.54
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012081430	0	51	0.0	-46.68	392.24	10.18	-36.50
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012081431	0	46	0.0	-51.57	367.34	9.19	-42.38
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OCC2=CC=C(Cl)C(Cl)=C2)C=C1	REAL300012081432	0	47	0.0	-51.43	405.79	11.89	-39.54
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012081433	0	33	0.0	-50.90	289.61	8.30	-42.60
CN1CCN(C2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012081434	1	50	0.0	-47.14	371.80	6.34	-40.80
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012081435	0	42	0.0	-53.64	344.53	6.10	-47.54
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012081436	0	40	0.0	-57.57	326.90	8.91	-48.66
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081437	0	46	0.0	-51.56	376.98	10.28	-41.28
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012081438	0	40	0.0	-56.96	337.22	9.36	-47.60
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081439	0	46	0.0	-55.18	373.54	9.99	-45.19
CC1=NN(C2=CC=C(Br)C=C2)C(C)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081440	0	46	0.0	-51.56	381.54	10.38	-41.18
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1	REAL300012081441	0	40	0.0	-48.77	366.44	9.56	-39.21
CC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012081442	0	52	0.0	-51.41	411.25	10.80	-40.61
COC1=CC=CC(COC2=CC=CC(Cl)=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081443	0	51	0.0	-42.91	416.70	10.66	-32.25
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012081444	0	40	0.0	-52.02	333.52	8.32	-43.70
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012081445	0	54	0.0	-52.11	424.96	11.73	-40.38
CC(C)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012081446	0	44	0.0	-51.94	347.32	10.10	-41.84
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012081447	0	36	0.0	-52.88	309.96	6.91	-45.97
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081448	0	49	0.0	-46.19	384.64	10.23	-35.96
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081449	0	49	0.0	-53.00	397.53	10.72	-42.28
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCC(C)C	REAL300012081450	0	53	0.0	-50.18	406.66	10.15	-40.03
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=CC=C1F	REAL300012081451	0	33	0.0	-47.45	289.40	8.28	-39.17
COC1=CC(Br)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300012081452	0	41	0.0	-42.74	336.24	7.40	-35.34
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Br)C=C1F	REAL300012081453	0	33	0.0	-51.11	289.38	8.27	-42.84
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=CS1	REAL300012081454	0	30	0.0	-45.32	274.04	7.37	-37.95
CCCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OCC	REAL300012081455	0	53	0.0	-50.51	408.05	10.25	-40.26
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1	REAL300012081456	0	46	0.0	-53.32	393.61	12.25	-41.07
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081457	0	46	0.0	-51.50	360.24	9.76	-41.74
COC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1OC(F)F	REAL300012081458	0	41	0.0	-45.76	330.28	7.31	-38.45
CCC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081459	0	56	0.0	-54.47	441.57	13.62	-40.85
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012081460	0	37	0.0	-47.52	323.76	8.20	-39.32
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012081461	0	53	0.0	-50.38	399.54	10.92	-39.46
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012081463	0	33	0.0	-50.53	289.61	8.29	-42.24
CC1=CC=C(COC2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C=C2)C=C1	REAL300012081464	0	50	0.0	-50.00	395.27	11.59	-38.41
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012081465	0	48	0.0	-46.41	355.41	8.92	-37.49
CCCCCCOC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081466	0	52	0.0	-45.37	399.94	11.00	-34.37
N#CCCCOC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081467	0	44	0.0	-52.59	356.30	9.18	-43.41
CCCCCOC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC	REAL300012081468	0	53	0.0	-50.58	407.69	10.11	-40.47
CCC(C)OC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC	REAL300012081469	0	50	0.0	-50.50	381.88	9.17	-41.33
CCCCCCCOC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081470	0	55	0.0	-45.31	421.44	11.79	-33.52
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OCCCC#N	REAL300012081471	0	48	0.0	-61.75	385.55	9.07	-52.68
C=C(C)COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC	REAL300012081472	0	48	0.0	-51.69	375.48	9.11	-42.58
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OCCC(C)C	REAL300012081473	0	53	0.0	-50.63	403.76	9.86	-40.77
C=CCC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(OC)=C1O	REAL300012081474	0	45	0.0	-53.70	356.53	6.78	-46.92
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081475	0	42	0.0	-50.15	340.78	8.59	-41.56
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081476	0	43	0.0	-46.39	360.86	6.18	-40.21
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012081477	0	47	0.0	-53.46	384.63	9.14	-44.32
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012081478	0	39	0.0	-50.09	325.74	8.41	-41.68
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012081479	0	46	0.0	-50.40	356.65	6.77	-43.63
C=CCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300012081480	0	41	0.0	-49.01	342.89	8.99	-40.02
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012081481	0	39	0.0	-46.96	327.38	8.66	-38.30
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C2OC(C)CC2=C1	REAL300012081482	0	45	0.0	-47.87	348.80	7.50	-40.37
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012081483	0	36	0.0	-43.03	319.07	7.46	-35.57
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012081484	0	36	0.0	-51.91	318.05	9.13	-42.78
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300012081485	0	36	0.0	-51.73	322.62	9.23	-42.50
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012081486	0	33	0.0	-49.62	296.51	8.68	-40.94
CC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300012081487	0	36	0.0	-46.66	300.21	8.84	-37.82
CC(C)(C)N1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2Cl)=N1	REAL300012081488	0	52	0.0	-50.93	416.82	11.35	-39.58
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081489	0	48	0.0	-51.19	391.34	11.33	-39.86
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012081490	0	37	0.0	-51.31	317.88	7.76	-43.55
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012081491	0	41	0.0	-50.66	355.63	9.09	-41.57
CN1N=C(C2=CC=CC=C2)C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300012081492	0	43	0.0	-45.28	357.31	9.11	-36.17
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012081493	0	38	0.0	-46.21	319.59	8.09	-38.12
CC1=C(Br)SC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081494	0	33	0.0	-45.51	293.97	8.07	-37.44
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012081495	0	38	0.0	-50.39	321.56	8.67	-41.72
COC1=CC=C(OC2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C=C2)C=C1	REAL300012081496	0	48	0.0	-48.64	382.26	9.85	-38.79
CC1=CC(C2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C=C2)=CC(C)=C1	REAL300012081497	0	49	0.0	-51.58	378.69	12.37	-39.21
CC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012081498	0	42	0.0	-56.32	336.89	11.17	-45.15
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081499	0	43	0.0	-53.66	358.34	9.93	-43.73
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012081500	0	47	0.0	-47.70	380.27	10.98	-36.72
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012081501	0	44	0.0	-49.58	362.94	11.74	-37.84
CC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012081502	0	43	0.0	-47.58	338.72	8.47	-39.11
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1	REAL300012081503	0	39	0.0	-49.92	354.51	9.83	-40.09
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081504	0	39	0.0	-45.28	326.40	8.51	-36.77
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081505	0	39	0.0	-45.19	320.59	5.81	-39.38
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081506	0	42	0.0	-57.91	345.36	7.10	-50.81
CC(C)SC1=CC(Br)=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081507	0	43	0.0	-47.17	357.43	10.57	-36.60
CSC1=CC(Br)=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081508	0	37	0.0	-47.41	319.50	9.16	-38.25
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012081509	0	43	0.0	-55.74	353.24	9.37	-46.37
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC(F)F)C(Br)=C1	REAL300012081510	0	37	0.0	-51.06	322.27	7.87	-43.19
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012081511	0	46	0.0	-56.16	385.56	10.31	-45.85
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081512	0	47	0.0	-47.72	364.88	10.40	-37.32
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081513	0	47	0.0	-47.71	365.39	10.39	-37.32
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081514	0	46	0.0	-50.95	360.55	8.63	-42.32
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012081515	0	44	0.0	-47.55	373.28	11.12	-36.43
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Br)C=C1N1CCOCC1	REAL300012081516	0	46	0.0	-48.80	368.26	7.82	-40.98
COC1=CC(Cl)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300012081517	0	37	0.0	-48.03	320.73	7.92	-40.11
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012081518	0	36	0.0	-47.44	319.48	7.73	-39.71
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012081519	0	36	0.0	-47.86	318.76	7.60	-40.26
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])S2)O1	REAL300012081520	0	39	0.0	-48.95	332.30	7.56	-41.39
CC1=CC(Br)=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081521	0	36	0.0	-47.59	299.25	8.80	-38.79
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012081522	0	33	0.0	-49.61	298.72	8.71	-40.90
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012081523	0	40	0.0	-52.88	325.25	7.55	-45.33
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012081524	0	42	0.0	-53.98	337.46	9.30	-44.68
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=NC=C(Br)C=C1Br	REAL300012081525	0	32	0.0	-40.99	296.99	6.90	-34.09
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012081526	0	33	0.0	-49.22	295.53	8.68	-40.54
COC1=C(Br)C=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081527	0	37	0.0	-51.15	313.11	7.65	-43.50
CN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012081528	0	40	0.0	-49.61	329.11	8.05	-41.56
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012081529	0	47	0.0	-44.67	371.85	10.40	-34.27
COC1=CC(Br)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(OC)=C1	REAL300012081530	0	41	0.0	-42.47	338.96	6.78	-35.69
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012081531	0	44	0.0	-40.86	363.47	10.85	-30.01
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC2=CC=CC(Br)=C2)C=C1	REAL300012081532	0	44	0.0	-50.38	374.31	11.16	-39.22
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012081533	0	48	0.0	-48.19	386.22	8.80	-39.39
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081534	0	43	0.0	-53.69	362.91	10.04	-43.65
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081535	0	52	0.0	-49.94	388.44	11.22	-38.72
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012081536	0	40	0.0	-47.08	329.18	9.59	-37.49
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1	REAL300012081537	0	50	0.0	-57.52	404.75	12.26	-45.26
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012081538	0	43	0.0	-51.84	360.29	9.71	-42.13
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(OC)=C1OC	REAL300012081539	0	45	0.0	-52.99	354.28	6.76	-46.23
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012081540	0	46	0.0	-48.15	346.59	6.47	-41.68
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081541	0	54	0.0	-46.64	412.66	12.76	-33.88
CC(C)CCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081542	0	49	0.0	-48.35	374.52	9.96	-38.39
CCCCCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081543	0	52	0.0	-48.27	399.95	11.00	-37.27
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012081544	0	44	0.0	-52.79	353.52	10.50	-42.29
CCCOC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(OCCC)=C1	REAL300012081545	0	53	0.0	-47.20	406.76	9.73	-37.47
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(OC)=C1OC	REAL300012081546	0	45	0.0	-53.65	349.62	6.67	-46.98
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012081547	0	51	0.0	-52.04	403.11	10.81	-41.23
COC1=CC=C(Br)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081548	0	37	0.0	-44.98	311.92	7.60	-37.38
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(Br)=C1O	REAL300012081549	0	38	0.0	-53.86	323.25	5.41	-48.45
COC1=CC(OC)=C(OC)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081550	0	45	0.0	-49.41	349.29	6.19	-43.22
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1	REAL300012081551	0	55	0.0	-48.53	434.99	14.80	-33.73
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081552	0	43	0.0	-45.12	355.94	9.62	-35.50
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012081553	0	47	0.0	-45.63	373.64	10.90	-34.73
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300012081554	0	40	0.0	-56.97	341.78	9.46	-47.51
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1I	REAL300012081555	0	33	0.0	-37.27	281.27	8.59	-28.68
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012081556	0	41	0.0	-51.10	339.54	6.82	-44.28
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012081557	0	50	0.0	-57.83	384.64	10.88	-46.95
CN(CCC#N)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081558	0	45	0.0	-50.40	356.77	9.49	-40.91
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012081559	0	43	0.0	-47.36	341.74	9.39	-37.97
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OCC(N)=O	REAL300012081560	0	45	0.0	-64.68	359.93	4.79	-59.89
CCNC(=O)COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300012081561	0	51	0.0	-59.68	403.35	7.07	-52.61
COC1=CC2=C(C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-])OC(C)C2	REAL300012081562	0	45	0.0	-45.28	347.52	7.58	-37.70
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012081563	0	49	0.0	-62.41	393.08	4.60	-57.81
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012081564	0	45	0.0	-62.63	379.88	5.44	-57.19
CCN(C(C)=O)C1=NC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CS1	REAL300012081565	0	42	0.0	-45.71	341.72	7.51	-38.20
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(I)=C1	REAL300012081566	0	33	0.0	-52.09	289.43	8.72	-43.37
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(I)C=C1	REAL300012081567	0	33	0.0	-47.63	290.12	8.74	-38.89
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=CC(Br)=C1	REAL300012081568	0	33	0.0	-49.28	305.18	8.86	-40.42
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012081569	0	43	0.0	-57.49	358.41	8.47	-49.02
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081570	0	46	0.0	-46.36	351.78	11.46	-34.90
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012081571	0	43	0.0	-50.07	354.06	11.54	-38.53
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012081572	0	46	0.0	-49.09	366.62	9.22	-39.87
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012081573	0	42	0.0	-48.83	336.23	4.95	-43.88
CC(=O)N(C1=NC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300012081574	0	46	0.0	-44.84	389.30	10.01	-34.83
CC1=CC=CN2C=C(COC3=CC=C(C[NH2+][C@@H]4CCC[C@H]4C(=O)[O-])C=C3)N=C12	REAL300012081575	0	53	0.0	-54.01	420.97	12.04	-41.97
CCOCC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC	REAL300012081576	0	47	0.0	-45.30	366.19	7.84	-37.46
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012081577	0	42	0.0	-47.10	353.48	7.10	-40.00
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(C(F)(F)F)=CC=C1Br	REAL300012081578	0	36	0.0	-41.98	316.33	9.20	-32.78
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Br)C=C1C(F)(F)F	REAL300012081579	0	36	0.0	-47.66	312.41	9.30	-38.36
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(F)C=CC=C1Br	REAL300012081580	0	33	0.0	-38.93	285.73	8.16	-30.77
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CSC=C1Br	REAL300012081581	0	30	0.0	-46.66	270.82	7.14	-39.52
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012081582	0	33	0.0	-50.13	290.30	8.32	-41.81
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(F)=C1Br	REAL300012081583	0	33	0.0	-41.15	283.30	8.25	-32.90
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(Br)=C1F	REAL300012081584	0	33	0.0	-43.47	287.64	8.28	-35.19
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012081585	0	40	0.0	-51.75	326.46	5.92	-45.83
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300012081586	0	37	0.0	-49.40	308.27	7.46	-41.94
CC1=C(Br)C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300012081587	0	36	0.0	-47.74	319.95	9.33	-38.41
CC1=CC(Br)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300012081588	0	33	0.0	-43.94	294.15	8.08	-35.86
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081589	0	48	0.0	-56.43	371.35	10.33	-46.10
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081590	0	43	0.0	-39.94	352.43	10.33	-29.61
CN1C(=O)CCC2=CC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300012081591	0	44	0.0	-55.58	338.97	8.49	-47.09
COC1=CC=CC(SC2=CC=CC=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081592	0	48	0.0	-49.31	388.14	10.94	-38.37
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012081593	0	39	0.0	-47.35	344.10	9.18	-38.17
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012081594	0	39	0.0	-51.65	332.12	8.90	-42.75
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081595	0	50	0.0	-46.15	387.24	11.04	-35.11
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012081596	0	44	0.0	-46.40	361.60	10.00	-36.40
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012081597	0	48	0.0	-57.51	389.36	8.00	-49.51
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012081598	0	38	0.0	-54.18	319.42	8.61	-45.57
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012081599	0	39	0.0	-49.76	335.79	8.88	-40.88
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012081600	0	33	0.0	-49.86	298.72	8.71	-41.15
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012081601	0	45	0.0	-47.47	371.94	10.15	-37.32
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC(F)(F)F)C(Br)=C1	REAL300012081602	0	37	0.0	-51.00	329.01	8.09	-42.91
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012081603	0	44	0.0	-50.89	359.42	10.63	-40.26
CN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012081604	0	43	0.0	-56.54	349.08	8.84	-47.70
CNC(=O)C(C)OC1=CC=C(Br)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081605	0	47	0.0	-57.25	389.98	7.71	-49.54
CN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012081606	0	44	0.0	-59.24	363.49	9.17	-50.07
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300012081607	0	47	0.0	-48.07	372.45	10.85	-37.22
CC1=CC=CC=C1N1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])N=N1	REAL300012081608	0	42	0.0	-46.67	336.61	8.35	-38.32
CN1N=C(Br)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081609	0	33	0.0	-54.03	284.92	5.71	-48.32
CN1C=C(C2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])S2)C=N1	REAL300012081610	0	40	0.0	-49.10	336.55	8.32	-40.78
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012081611	0	45	0.0	-50.83	341.40	8.53	-42.30
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012081612	0	33	0.0	-44.53	295.40	8.62	-35.91
COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081613	0	44	0.0	-48.02	348.31	8.04	-39.98
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012081614	0	37	0.0	-42.90	313.21	7.50	-35.40
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012081615	0	40	0.0	-48.71	325.86	8.59	-40.12
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2Br)C=C1	REAL300012081616	0	43	0.0	-51.68	358.31	11.68	-40.00
CC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012081617	0	46	0.0	-41.84	361.24	9.44	-32.40
CC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012081618	0	46	0.0	-53.47	359.06	9.19	-44.28
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012081619	0	43	0.0	-55.46	360.13	9.85	-45.61
CC1=CC(Br)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300012081620	0	36	0.0	-39.95	313.05	9.30	-30.65
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012081621	0	43	0.0	-48.52	362.57	9.60	-38.92
N#CCCN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012081622	0	46	0.0	-64.13	380.01	8.42	-55.71
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012081623	0	39	0.0	-48.79	323.58	11.23	-37.56
COCCOCC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081624	0	47	0.0	-47.93	372.89	7.60	-40.33
CC1=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012081625	0	39	0.0	-44.34	333.24	10.16	-34.18
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012081626	0	47	0.0	-57.52	386.54	10.02	-47.50
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(F)C=C1I	REAL300012081627	0	33	0.0	-49.24	290.52	8.67	-40.57
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])O1	REAL300012081628	0	43	0.0	-51.41	347.15	8.05	-43.36
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012081629	0	32	0.0	-43.21	290.77	6.86	-36.35
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(OC(F)F)=CC=C1Br	REAL300012081630	0	37	0.0	-42.02	316.83	7.77	-34.25
CC1=CC=C(C2=NC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])S2)C=C1C	REAL300012081631	0	45	0.0	-48.13	365.99	9.86	-38.27
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081632	0	43	0.0	-48.52	345.07	9.40	-39.12
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081633	0	43	0.0	-53.33	362.68	10.29	-43.04
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081634	0	43	0.0	-53.15	358.81	10.15	-43.00
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081635	0	46	0.0	-52.82	363.03	10.09	-42.73
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081636	0	43	0.0	-55.81	363.75	9.98	-45.83
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300012081637	0	47	0.0	-48.39	383.98	11.15	-37.24
CC(C)(C)SC1=C(Br)C=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081638	0	46	0.0	-50.40	365.71	10.73	-39.67
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081639	0	46	0.0	-53.16	363.87	10.03	-43.13
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012081640	0	36	0.0	-47.58	311.77	8.77	-38.81
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012081641	0	37	0.0	-47.16	307.11	7.43	-39.73
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012081642	0	37	0.0	-49.01	307.52	7.33	-41.68
CN1C=C(C2=NN(C)C=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300012081643	0	43	0.0	-46.67	345.91	6.62	-40.05
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C=C2C1	REAL300012081644	0	57	0.0	-51.68	428.35	10.82	-40.86
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012081645	0	39	0.0	-47.49	344.36	9.18	-38.31
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C(Br)S1	REAL300012081646	0	37	0.0	-49.15	324.84	7.38	-41.77
CC(C)OC1=CC(Cl)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300012081647	0	43	0.0	-47.56	360.51	9.47	-38.09
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012081648	0	45	0.0	-49.69	347.79	7.25	-42.44
COC(=O)C1=C2CCCCN2C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081649	0	47	0.0	-54.52	364.05	9.37	-45.15
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012081650	0	40	0.0	-50.98	330.82	7.93	-43.05
C=CCOC1=C(Cl)C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300012081651	0	45	0.0	-54.42	376.05	9.00	-45.42
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC1CC1	REAL300012081652	0	45	0.0	-52.42	352.61	8.52	-43.90
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1I	REAL300012081653	0	33	0.0	-45.04	300.88	9.12	-35.92
COCC(C)OC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081654	0	47	0.0	-48.10	363.92	7.85	-40.25
CN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300012081655	0	50	0.0	-56.73	405.56	8.56	-48.17
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300012081656	0	47	0.0	-46.04	382.59	11.21	-34.83
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012081657	0	40	0.0	-52.14	329.03	10.25	-41.89
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012081658	0	46	0.0	-51.21	359.21	9.81	-41.40
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(C(F)(F)F)=C(Br)C=C1F	REAL300012081659	0	36	0.0	-48.77	323.21	9.17	-39.60
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012081660	0	40	0.0	-58.32	340.43	8.48	-49.84
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300012081661	0	42	0.0	-50.98	355.08	10.02	-40.96
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300012081662	0	49	0.0	-47.95	363.78	9.58	-38.37
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081663	0	41	0.0	-40.12	335.33	6.85	-33.27
CC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=NC=C1Br	REAL300012081664	0	35	0.0	-43.65	297.40	6.99	-36.66
CC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C(Br)C=C1F	REAL300012081665	0	36	0.0	-40.96	304.24	8.92	-32.04
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(O)C=CC=C1Br	REAL300012081666	0	34	0.0	-41.62	290.98	5.33	-36.29
CN1C=C(C2=NC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=CS2)C=N1	REAL300012081667	0	39	0.0	-46.22	332.09	6.22	-40.00
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012081668	0	39	0.0	-47.37	321.69	7.51	-39.86
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012081669	0	39	0.0	-49.52	310.76	9.21	-40.31
CN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(Br)=N1	REAL300012081670	0	33	0.0	-43.19	285.81	5.93	-37.26
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=NC=C(Br)C=C1F	REAL300012081671	0	32	0.0	-43.92	284.19	6.44	-37.48
COC1=CC(Cl)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300012081672	0	41	0.0	-43.73	333.07	7.31	-36.42
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012081673	0	39	0.0	-48.53	323.59	9.43	-39.10
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081674	0	53	0.0	-52.19	410.42	8.08	-44.11
CCOC(=O)C1=C(C)C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C(C)N1	REAL300012081675	0	46	0.0	-53.65	361.79	8.00	-45.65
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(F)C=CC(C(F)(F)F)=C1Br	REAL300012081676	0	36	0.0	-42.65	320.81	9.02	-33.63
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012081677	0	43	0.0	-51.60	355.61	11.60	-40.00
CC1=CC(Br)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300012081678	0	36	0.0	-39.95	317.09	9.39	-30.56
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012081679	0	33	0.0	-46.92	293.93	8.35	-38.57
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Br)SC=C1	REAL300012081680	0	30	0.0	-39.72	270.46	7.29	-32.43
CCOC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C(F)C=C1OC	REAL300012081681	0	44	0.0	-45.50	347.59	7.79	-37.71
COC1=NC=C(Br)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081682	0	36	0.0	-48.75	310.22	4.98	-43.77
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O	REAL300012081683	0	47	0.0	-56.74	382.64	7.25	-49.49
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C(F)C=C1Br	REAL300012081684	0	37	0.0	-45.48	316.95	7.63	-37.85
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012081685	0	33	0.0	-41.37	293.76	8.67	-32.70
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012081686	0	37	0.0	-55.34	314.19	7.54	-47.80
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012081687	0	47	0.0	-62.36	357.67	8.64	-53.72
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012081688	0	37	0.0	-50.95	307.32	7.22	-43.73
CC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1Br	REAL300012081689	0	39	0.0	-47.99	313.62	9.32	-38.67
CC1=CC=NC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1Br	REAL300012081690	0	35	0.0	-40.02	293.82	6.85	-33.17
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081691	0	50	0.0	-51.68	384.42	7.88	-43.80
CN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012081692	0	43	0.0	-54.04	354.85	8.94	-45.10
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1	REAL300012081695	0	43	0.0	-50.02	370.16	9.35	-40.67
CCN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012081696	0	46	0.0	-53.33	364.33	9.66	-43.67
COCC1=C(C)C=C(C)C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300012081697	0	49	0.0	-45.49	364.93	8.82	-36.67
CC1=CC(OC2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300012081698	0	47	0.0	-49.44	392.31	11.68	-37.76
CCC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(Cl)=C1	REAL300012081699	0	50	0.0	-49.16	405.56	12.35	-36.81
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012081700	0	44	0.0	-47.37	374.06	11.13	-36.24
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081701	0	47	0.0	-47.84	392.67	11.72	-36.12
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300012081702	0	47	0.0	-51.16	393.29	11.72	-39.44
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(Cl)=C1	REAL300012081703	0	44	0.0	-46.80	387.23	11.45	-35.35
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(F)=C1	REAL300012081704	0	44	0.0	-47.13	377.92	11.05	-36.08
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081705	0	47	0.0	-45.59	385.79	11.66	-33.93
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1	REAL300012081706	0	44	0.0	-45.99	372.05	10.99	-35.00
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081707	0	50	0.0	-45.12	407.33	12.40	-32.72
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Cl)C=C1OC1=CC=C(Cl)C(F)=C1	REAL300012081708	0	44	0.0	-52.12	389.27	11.58	-40.54
CC1=C(Br)C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300012081709	0	33	0.0	-46.93	294.67	8.07	-38.86
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012081710	0	43	0.0	-49.36	353.41	11.56	-37.80
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(F)=C1I	REAL300012081711	0	33	0.0	-39.69	286.77	8.63	-31.06
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012081712	0	51	0.0	-51.01	400.41	10.36	-40.65
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1CN1C=CC=N1	REAL300012081713	0	47	0.0	-49.82	375.32	8.58	-41.24
CC1=CC=C(Br)C(F)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081714	0	36	0.0	-42.73	306.03	8.74	-33.99
CCC1=CC(OC2=CC=C(F)C=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300012081715	0	50	0.0	-47.48	410.84	12.29	-35.19
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OC1=CC=C(Cl)C(Cl)=C1	REAL300012081716	0	44	0.0	-46.96	383.36	11.55	-35.41
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300012081717	0	50	0.0	-49.68	407.18	12.32	-37.36
COC1=CC=C(CN2C=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])N=N2)C=C1	REAL300012081718	0	46	0.0	-50.10	370.25	7.28	-42.82
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012081719	0	43	0.0	-52.67	349.56	7.98	-44.69
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012081720	0	47	0.0	-48.59	373.68	10.90	-37.69
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=C(Br)S1	REAL300012081721	0	30	0.0	-48.19	294.67	8.04	-40.15
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012081722	0	44	0.0	-47.24	377.94	11.06	-36.18
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1	REAL300012081723	0	44	0.0	-48.65	368.15	10.62	-38.03
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012081724	0	44	0.0	-47.15	385.00	11.60	-35.55
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081725	0	51	0.0	-48.13	402.30	11.10	-37.03
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012081726	0	44	0.0	-47.94	374.67	11.15	-36.79
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC(Cl)=C1	REAL300012081727	0	44	0.0	-48.04	382.49	11.46	-36.58
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012081728	0	44	0.0	-50.64	377.92	11.10	-39.54
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081729	0	48	0.0	-48.89	398.14	11.65	-37.24
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Cl)C=C1OC1=CC=C(F)C(Cl)=C1	REAL300012081730	0	44	0.0	-52.47	389.25	11.56	-40.91
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081731	0	49	0.0	-49.85	377.88	10.64	-39.21
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012081732	0	39	0.0	-43.96	344.16	8.94	-35.02
COC1=CC=C(C2=NC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=CS2)C=C1	REAL300012081733	0	43	0.0	-44.59	356.87	7.74	-36.85
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081735	0	41	0.0	-57.21	336.17	4.35	-52.86
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081736	1	53	0.0	-45.55	384.37	9.72	-35.83
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1	REAL300012081737	0	47	0.0	-53.89	391.87	11.03	-42.86
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300012081738	0	44	0.0	-50.46	358.80	8.11	-42.35
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012081739	0	38	0.0	-39.58	316.19	8.55	-31.03
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012081740	0	50	0.0	-50.26	396.66	8.48	-41.78
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012081741	0	35	0.0	-51.24	314.59	7.70	-43.54
CN(C)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)=C1	REAL300012081742	0	44	0.0	-45.46	343.59	9.10	-36.36
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081743	0	43	0.0	-50.93	345.47	10.25	-40.68
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081744	0	42	0.0	-45.60	353.74	9.26	-36.34
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012081745	0	52	0.0	-50.91	397.50	10.97	-39.94
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012081746	0	36	0.0	-46.63	322.39	8.97	-37.66
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1	REAL300012081747	0	39	0.0	-49.06	331.62	8.13	-40.93
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012081748	0	36	0.0	-45.25	310.83	8.75	-36.50
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081749	0	44	0.0	-50.65	349.86	9.03	-41.62
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(I)=CC([N+](=O)[O-])=C1	REAL300012081750	0	35	0.0	-58.67	317.65	9.39	-49.28
COCC1=CC=CC=C1C=C(C)C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081751	0	47	0.0	-49.93	361.94	9.24	-40.69
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012081752	0	42	0.0	-53.37	336.59	9.30	-44.07
COC1=CC=C(N2C=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C=N2)C=C1	REAL300012081753	0	44	0.0	-57.74	349.97	8.14	-49.60
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081754	0	48	0.0	-45.12	384.12	11.05	-34.07
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(N2CCCCC2)C(Br)=C1	REAL300012081755	0	48	0.0	-50.29	380.13	10.09	-40.20
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300012081756	0	36	0.0	-54.33	315.67	4.32	-50.01
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012081757	0	53	0.0	-45.47	407.16	11.55	-33.92
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300012081758	0	38	0.0	-59.93	322.26	2.61	-57.32
CC1=C(Br)C=NC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081759	0	35	0.0	-49.90	291.68	6.97	-42.93
COC1=CC=C(C2=CC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300012081760	0	49	0.0	-58.43	397.02	6.63	-51.80
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21	REAL300012081761	0	47	0.0	-47.39	381.53	10.75	-36.64
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012081762	0	53	0.0	-49.27	402.38	6.50	-42.77
CC(C)(C)OC(=O)NC(C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-])CC(F)F	REAL300012081763	0	49	0.0	-55.03	369.20	6.43	-48.60
CN1C=CC(C2=NC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=CS2)=N1	REAL300012081764	0	39	0.0	-46.73	332.22	6.10	-40.63
CC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1Br	REAL300012081765	0	36	0.0	-47.37	297.69	8.74	-38.63
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012081766	0	44	0.0	-50.98	358.25	10.52	-40.46
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012081767	0	48	0.0	-43.85	356.41	9.66	-34.19
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=CC=C1Br	REAL300012081768	0	33	0.0	-45.61	300.12	8.79	-36.82
CC1=C(Cl)C=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300012081769	0	36	0.0	-49.25	308.01	9.09	-40.16
CC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C(C)C=C1I	REAL300012081770	0	39	0.0	-48.06	323.97	9.80	-38.26
N#CC1=CC=C(Br)C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081771	0	34	0.0	-45.78	298.35	8.59	-37.19
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081772	0	46	0.0	-53.79	365.03	9.18	-44.61
COC(=O)COC1=CC=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081773	0	43	0.0	-53.91	347.11	8.58	-45.33
COC1=CC=C2SC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=CC2=C1	REAL300012081774	0	40	0.0	-47.28	329.53	8.47	-38.81
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081775	0	49	0.0	-57.69	372.36	9.28	-48.41
CCN(C)C(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081776	0	46	0.0	-52.89	356.32	8.50	-44.39
CC1=NN(C2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C(C)=C2)C=C1	REAL300012081777	0	46	0.0	-54.56	358.20	9.95	-44.61
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012081778	0	39	0.0	-51.03	333.80	9.51	-41.52
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081779	0	43	0.0	-53.28	353.46	9.87	-43.41
CCC1=CC(Br)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300012081780	0	36	0.0	-42.69	315.38	8.86	-33.83
CC1=NN(C2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C=C2)C=C1Cl	REAL300012081781	0	43	0.0	-57.68	358.58	9.91	-47.77
COC(=O)C1=CC2=C(C=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])O2)N1	REAL300012081782	0	40	0.0	-51.07	331.18	6.43	-44.64
CC(C)(C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012081783	0	42	0.0	-50.68	331.00	9.97	-40.71
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012081784	0	33	0.0	-49.26	300.61	8.75	-40.51
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300012081785	0	49	0.0	-46.11	372.36	12.14	-33.97
CC(C)(C)OC(=O)N1CCN(C2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])O2)CC1	REAL300012081786	0	59	0.0	-48.98	444.39	7.60	-41.38
COC1=CC=CC(C2=CSC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=N2)=C1	REAL300012081787	0	43	0.0	-51.78	355.68	7.67	-44.11
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081788	0	53	0.0	-50.38	410.25	8.10	-42.28
COC(=O)C1=C2COCCN2C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081789	0	45	0.0	-56.61	355.95	6.99	-49.62
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012081790	0	50	0.0	-61.05	377.22	9.57	-51.48
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012081791	0	36	0.0	-46.06	324.73	9.47	-36.59
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012081792	0	37	0.0	-53.57	319.33	6.52	-47.05
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300012081793	0	38	0.0	-57.99	332.98	3.13	-54.86
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012081794	0	33	0.0	-37.74	294.48	8.55	-29.19
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012081795	0	33	0.0	-46.87	293.34	8.33	-38.54
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012081796	0	42	0.0	-48.07	340.69	7.99	-40.08
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300012081797	0	53	0.0	-52.09	386.29	8.66	-43.43
CC1=CC(Br)=CN=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081798	0	35	0.0	-42.13	295.15	6.97	-35.16
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012081799	0	39	0.0	-56.66	336.47	5.55	-51.11
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C2CCN(C(=O)OCC3=CC=CC=C3)C2=C1	REAL300012081800	0	55	0.0	-45.41	435.86	12.36	-33.05
CC1=NC(Cl)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300012081801	0	35	0.0	-44.27	309.77	7.37	-36.90
CN1N=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1S(C)(=O)=O	REAL300012081802	0	39	0.0	-53.35	315.65	2.98	-50.37
CCOC1=CC(Br)=CC(F)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081803	0	40	0.0	-42.16	339.84	8.54	-33.62
CS(=O)(=O)C1=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=CS1	REAL300012081804	0	36	0.0	-58.08	306.29	4.66	-53.42
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C=C2)O1	REAL300012081805	0	50	0.0	-55.56	411.49	9.82	-45.74
CC1=C(Br)C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C(C)S1	REAL300012081806	0	36	0.0	-41.29	310.47	8.60	-32.69
CN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012081807	0	43	0.0	-44.56	348.32	8.85	-35.71
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012081808	0	37	0.0	-50.95	314.06	7.43	-43.52
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012081809	0	39	0.0	-52.10	333.80	9.51	-42.59
CC1=NC=CN1C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300012081810	0	46	0.0	-53.77	355.68	10.56	-43.21
CC1=C(C)N(C2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C=C2)C=N1	REAL300012081811	0	46	0.0	-58.47	362.51	11.37	-47.10
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012081812	0	36	0.0	-46.53	320.42	9.75	-36.78
CN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2Br)=N1	REAL300012081813	0	43	0.0	-51.86	360.65	9.44	-42.42
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012081814	0	43	0.0	-47.88	335.30	9.66	-38.22
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1	REAL300012081815	0	40	0.0	-54.34	339.86	8.09	-46.25
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081816	0	46	0.0	-57.12	377.68	10.36	-46.76
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1	REAL300012081817	0	40	0.0	-55.51	340.59	8.10	-47.41
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012081818	0	40	0.0	-55.54	324.95	7.54	-48.00
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Br)C=CC=C1Br	REAL300012081819	0	33	0.0	-38.59	298.76	8.63	-29.96
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Br)C=CC=C1OC(F)F	REAL300012081820	0	37	0.0	-41.19	319.23	7.76	-33.43
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012081821	0	40	0.0	-52.26	335.46	9.11	-43.15
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012081822	0	33	0.0	-46.17	293.57	8.29	-37.88
COC1=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012081823	0	49	0.0	-46.64	356.85	9.36	-37.28
CN1C=C(Br)N=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081824	0	33	0.0	-55.33	283.86	6.50	-48.83
CC(C)(OCC1=CC=CC=C1)C1=CC=C(F)C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081825	0	56	0.0	-44.19	433.34	12.42	-31.77
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012081826	0	39	0.0	-45.82	319.98	6.75	-39.07
CN1C(=O)C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC2=CC=CC=C21	REAL300012081827	0	42	0.0	-42.65	329.01	8.41	-34.24
CC1=CC(C)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1Br	REAL300012081828	0	42	0.0	-46.64	332.07	9.78	-36.86
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081829	0	43	0.0	-50.86	358.54	8.41	-42.45
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081830	0	50	0.0	-51.71	384.68	7.88	-43.83
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012081831	0	39	0.0	-50.16	325.51	8.41	-41.75
COC1=CC=C(Br)C(F)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081832	0	37	0.0	-45.50	316.56	7.62	-37.88
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(F)C=C(C(F)(F)F)C=C1Br	REAL300012081833	0	36	0.0	-41.15	324.47	9.16	-31.99
N#CC1=CC(F)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300012081834	0	34	0.0	-45.36	306.73	8.53	-36.83
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012081835	0	40	0.0	-51.23	327.24	10.05	-41.18
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012081836	0	39	0.0	-49.75	320.20	10.26	-39.49
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012081837	0	33	0.0	-46.03	302.47	8.74	-37.29
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012081838	0	50	0.0	-44.81	372.11	10.46	-34.35
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012081839	0	44	0.0	-50.47	369.74	11.07	-39.40
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012081840	0	53	0.0	-45.96	392.76	11.13	-34.83
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012081841	0	47	0.0	-47.91	389.18	11.50	-36.41
COC1=CC=CC(OC2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C=C2)=C1	REAL300012081842	0	48	0.0	-52.00	380.54	9.78	-42.22
CCN1CCCC2=CC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300012081843	0	48	0.0	-45.45	353.90	8.83	-36.62
CN1N=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1Br	REAL300012081844	0	33	0.0	-45.89	285.11	5.85	-40.04
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081845	0	48	0.0	-54.90	382.78	10.41	-44.49
COC1=C(Br)C=CC(F)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081846	0	37	0.0	-44.05	317.77	7.68	-36.37
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012081847	0	46	0.0	-47.86	371.67	12.30	-35.56
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Br)C=CC=C1OC(F)(F)F	REAL300012081848	0	37	0.0	-41.29	325.99	7.97	-33.32
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012081849	0	37	0.0	-49.00	318.99	9.09	-39.91
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300012081850	0	47	0.0	-47.05	390.59	11.44	-35.61
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012081851	0	46	0.0	-52.86	354.86	8.30	-44.56
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Br)C=C1OC(F)F	REAL300012081852	0	37	0.0	-51.07	321.64	7.89	-43.18
CC1=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012081853	0	39	0.0	-43.89	322.89	9.77	-34.12
COC1=CC(OC)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C2=NC(Cl)=CC=C12	REAL300012081854	0	46	0.0	-39.57	376.35	7.33	-32.24
CC1=CC=C(F)C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1Br	REAL300012081855	0	36	0.0	-41.66	304.82	8.70	-32.96
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012081856	0	56	0.0	-45.08	414.80	11.93	-33.15
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012081857	0	47	0.0	-45.30	362.13	9.99	-35.31
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCCO	REAL300012081858	0	45	0.0	-53.70	354.57	4.67	-49.03
COC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1OCCO	REAL300012081859	0	45	0.0	-54.07	354.57	4.67	-49.40
CN1C=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012081860	0	43	0.0	-58.26	348.58	6.52	-51.74
COC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012081861	0	52	0.0	-53.28	400.28	8.26	-45.02
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012081862	0	36	0.0	-46.92	296.14	8.70	-38.22
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012081863	0	40	0.0	-45.14	338.11	8.38	-36.76
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012081864	0	42	0.0	-52.42	360.45	9.34	-43.08
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012081865	0	36	0.0	-41.39	306.67	6.76	-34.63
CS(=O)(=O)C1=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])SC=C1	REAL300012081866	0	36	0.0	-56.40	304.32	4.28	-52.12
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012081867	0	36	0.0	-53.32	306.81	8.65	-44.67
CS(=O)(=O)C1=CSC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081868	0	36	0.0	-55.13	314.83	4.24	-50.89
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012081869	0	40	0.0	-50.67	338.16	9.37	-41.30
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(Br)C=C(C(F)(F)F)S1	REAL300012081870	0	33	0.0	-47.22	312.91	8.47	-38.75
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012081871	0	41	0.0	-48.91	343.58	9.26	-39.65
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081872	0	43	0.0	-49.32	342.52	8.29	-41.03
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012081873	0	36	0.0	-46.27	303.51	9.06	-37.21
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012081874	0	33	0.0	-42.19	301.98	8.63	-33.56
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012081875	0	40	0.0	-51.26	327.84	8.91	-42.35
COC1=NC(C)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1Cl	REAL300012081876	0	42	0.0	-49.27	336.71	5.84	-43.43
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081877	0	42	0.0	-45.43	338.44	7.99	-37.44
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081878	0	49	0.0	-50.09	367.52	9.25	-40.84
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081879	0	47	0.0	-50.32	358.32	6.86	-43.46
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012081880	0	38	0.0	-46.11	323.59	8.75	-37.36
NS(=O)(=O)C1=CSC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081881	0	35	0.0	-55.64	308.35	1.64	-54.00
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012081882	0	48	0.0	-61.85	367.81	7.14	-54.71
CC1=CC(Br)=C(F)C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081883	0	36	0.0	-42.92	309.07	8.94	-33.98
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012081884	0	33	0.0	-46.08	302.62	8.75	-37.33
COC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1Br	REAL300012081885	0	37	0.0	-49.89	307.37	7.52	-42.37
COC1=CC(F)=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300012081886	0	37	0.0	-49.19	318.00	7.61	-41.58
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012081887	0	43	0.0	-63.67	349.15	10.04	-53.63
CC1=CC=C(Br)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081888	0	36	0.0	-45.52	299.29	8.87	-36.65
COC1=NC2=CC=C(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])C=C2S1	REAL300012081889	0	39	0.0	-54.61	327.53	5.43	-49.18
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012081890	0	33	0.0	-49.95	296.79	8.60	-41.35
CC(C)(C)COC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081891	0	49	0.0	-45.12	374.38	9.97	-35.15
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012081892	0	33	0.0	-50.72	305.56	8.76	-41.96
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012081893	0	36	0.0	-58.26	314.12	8.98	-49.28
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+][C@@H]3CCC[C@H]3C(=O)[O-])=CC=C2C1	REAL300012081894	0	57	0.0	-52.32	428.47	10.83	-41.49
CC1=CC(Br)=CC(C)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081895	0	39	0.0	-46.32	317.04	9.30	-37.02
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012081896	0	34	0.0	-43.08	296.67	5.36	-37.72
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012081897	0	49	0.0	-46.40	364.97	11.42	-34.98
CC1=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])SC(Br)=C1	REAL300012081898	0	33	0.0	-44.09	292.97	8.04	-36.05
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081899	0	45	0.0	-45.17	360.74	9.72	-35.45
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012081900	0	46	0.0	-46.02	365.14	12.10	-33.92
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=CC(Cl)=C1Br	REAL300012081901	0	33	0.0	-48.73	310.35	9.12	-39.61
CCCCC(=O)NC1=CC=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300012081902	0	49	0.0	-54.44	381.99	8.90	-45.54
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CSC(Br)=C1Br	REAL300012081903	0	30	0.0	-49.94	291.38	7.82	-42.12
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(Br)=C1Br	REAL300012081904	0	33	0.0	-40.52	296.56	8.76	-31.76
CC1=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])SC(Br)=C1Br	REAL300012081905	0	33	0.0	-46.14	310.49	8.50	-37.64
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012081906	0	32	0.0	-42.29	289.52	6.83	-35.46
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081907	0	54	0.0	-47.38	392.39	9.82	-37.56
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012081908	0	37	0.0	-51.23	324.63	7.98	-43.25
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012081909	0	43	0.0	-49.61	350.90	10.46	-39.15
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300012081910	0	55	0.0	-49.16	421.47	12.54	-36.62
CC1=CC=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1C(F)(F)F	REAL300012081911	0	39	0.0	-47.48	304.42	9.08	-38.40
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(C(F)(F)F)C=C1Br	REAL300012081912	0	36	0.0	-51.46	317.54	9.16	-42.30
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012081913	0	35	0.0	-50.28	306.55	6.94	-43.34
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012081914	0	38	0.0	-55.89	328.96	7.96	-47.93
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012081915	0	40	0.0	-44.17	323.42	6.28	-37.89
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012081916	0	36	0.0	-46.54	321.25	9.79	-36.75
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081917	0	46	0.0	-54.36	364.78	10.23	-44.13
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(Br)C=C1Br	REAL300012081918	0	33	0.0	-49.24	300.09	8.79	-40.45
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012081919	0	33	0.0	-51.86	295.67	8.33	-43.53
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012081920	0	33	0.0	-45.53	303.16	8.75	-36.78
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012081921	0	35	0.0	-58.86	311.17	8.91	-49.95
COC1=C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])C=CC(Br)=C1F	REAL300012081922	0	37	0.0	-47.32	319.97	7.78	-39.54
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012081923	0	36	0.0	-56.83	306.69	8.63	-48.20
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081924	0	51	0.0	-48.72	387.64	9.27	-39.45
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012081925	0	39	0.0	-48.39	327.13	10.41	-37.98
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012081926	0	46	0.0	-50.50	348.37	4.61	-45.89
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=C(CN2C=C(Br)C=N2)C=C1	REAL300012081927	0	43	0.0	-51.56	368.59	9.88	-41.68
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=C(F)C=C(I)C=C1F	REAL300012081928	0	33	0.0	-46.10	300.05	8.77	-37.33
COC1=CC=C(OC)C(OC)=C1C[NH2+][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300012081929	0	45	0.0	-44.79	351.43	6.27	-38.52
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012081930	0	50	0.0	-51.91	375.18	9.54	-42.37
O=C([O-])[C@@H]1CCC[C@H]1[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012081931	0	47	0.0	-45.17	376.17	11.14	-34.03
CC1=CC(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012081932	0	42	0.0	-53.69	334.84	8.95	-44.74
COC1=CC=C(Br)C(C[NH2+][C@@H]2CCC[C@H]2C(=O)[O-])=C1O	REAL300012081933	0	38	0.0	-43.50	320.19	5.29	-38.21
CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012081934	0	42	0.0	-30.15	351.71	10.61	-19.54
CC1=CC=C(C)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012081935	0	42	0.0	-30.26	351.72	10.60	-19.66
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012081936	0	41	0.0	-34.63	357.01	9.69	-24.94
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1CC2C=CC1C2	REAL300012081937	0	41	0.0	-33.76	334.53	9.91	-23.85
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1CCCCC1	REAL300012081938	0	42	0.0	-33.48	336.47	9.65	-23.83
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012081939	0	48	0.0	-31.33	392.11	11.65	-19.68
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012081940	0	43	0.0	-30.74	373.93	9.24	-21.50
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(Br)O1	REAL300012081941	0	33	0.0	-35.25	318.89	8.20	-27.05
CC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1C	REAL300012081942	0	42	0.0	-31.07	349.54	10.54	-20.53
CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1C	REAL300012081943	0	42	0.0	-31.77	355.65	10.56	-21.21
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012081944	0	46	0.0	-29.52	386.03	10.38	-19.14
CCC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C2=CC=CC=C2O1	REAL300012081945	0	45	0.0	-29.42	384.62	11.20	-18.22
COC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(Cl)=C1	REAL300012081946	0	40	0.0	-27.75	357.65	9.06	-18.69
N#CC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012081947	0	37	0.0	-39.71	336.77	9.71	-30.00
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012081948	0	39	0.0	-31.36	354.58	10.76	-20.60
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012081949	0	42	0.0	-33.46	363.28	9.86	-23.60
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])O1	REAL300012081950	0	43	0.0	-29.60	367.30	8.13	-21.47
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012081951	0	42	0.0	-31.27	369.06	7.50	-23.77
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)S1	REAL300012081952	0	33	0.0	-34.22	324.96	9.11	-25.11
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012081953	0	41	0.0	-29.96	357.52	9.91	-20.05
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012081954	0	43	0.0	-38.74	373.81	10.53	-28.21
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012081955	0	42	0.0	-41.62	370.53	11.88	-29.74
CCC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])O1	REAL300012081956	0	39	0.0	-34.08	341.83	9.12	-24.96
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(F)=CC=C1F	REAL300012081957	0	36	0.0	-31.15	329.67	9.47	-21.68
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012081958	0	36	0.0	-27.71	334.56	9.84	-17.87
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012081959	0	36	0.0	-32.94	338.06	9.88	-23.06
CCOC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012081960	0	43	0.0	-34.31	367.27	9.55	-24.76
CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1F	REAL300012081961	0	39	0.0	-34.87	342.19	10.03	-24.84
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012081962	0	36	0.0	-29.20	347.12	10.34	-18.86
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012081963	0	36	0.0	-36.63	334.91	9.51	-27.12
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012081964	0	39	0.0	-34.61	355.02	10.93	-23.68
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012081965	0	36	0.0	-33.95	340.29	9.96	-23.99
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CN=C1Cl	REAL300012081966	0	35	0.0	-35.85	323.51	7.98	-27.87
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012081967	0	45	0.0	-31.81	380.68	8.96	-22.85
COC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1Cl	REAL300012081968	0	40	0.0	-36.37	361.44	9.16	-27.21
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012081969	0	42	0.0	-30.24	358.38	8.54	-21.70
CCCOC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012081970	0	46	0.0	-34.61	390.10	10.39	-24.22
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012081971	0	46	0.0	-32.59	385.20	10.17	-22.42
CC(C)C1=NC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CS1	REAL300012081972	0	41	0.0	-28.76	365.00	8.40	-20.36
CC(C)(C)C1=NC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CS1	REAL300012081973	0	44	0.0	-28.72	383.93	8.89	-19.83
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])OC=C1	REAL300012081974	0	36	0.0	-32.94	317.74	8.10	-24.84
CC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CN=C1Cl	REAL300012081975	0	38	0.0	-36.19	346.41	8.55	-27.64
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012081976	0	41	0.0	-30.19	363.07	9.96	-20.23
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012081977	0	41	0.0	-31.21	363.81	9.99	-21.22
COC1=CC=C2OC(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])=CC2=C1	REAL300012081978	0	43	0.0	-32.74	374.59	9.17	-23.57
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012081979	0	40	0.0	-36.87	364.99	11.18	-25.69
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C2=CC=CC=C2O1	REAL300012081980	0	42	0.0	-30.30	365.51	10.49	-19.81
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=COC2=CC=CC=C12	REAL300012081981	0	39	0.0	-32.33	345.60	9.75	-22.58
CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])N=C1	REAL300012081982	0	38	0.0	-35.58	334.05	8.21	-27.37
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012081983	0	40	0.0	-40.63	358.85	10.73	-29.90
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012081984	0	43	0.0	-37.77	376.53	10.51	-27.26
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C(Cl)SC=C1	REAL300012081985	0	33	0.0	-31.73	321.86	8.92	-22.81
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012081986	0	40	0.0	-36.47	353.85	9.34	-27.13
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012081987	0	40	0.0	-35.18	355.97	9.40	-25.78
CCOC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012081988	0	42	0.0	-36.30	365.47	6.94	-29.36
CC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC2=CC=CN=C12	REAL300012081989	0	44	0.0	-34.86	378.48	10.55	-24.31
CC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC=C1Cl	REAL300012081990	0	39	0.0	-32.60	351.38	10.42	-22.18
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012081991	0	38	0.0	-35.32	349.12	8.85	-26.47
CCCC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012081992	0	45	0.0	-32.09	381.62	11.58	-20.51
COC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1C#N	REAL300012081993	0	41	0.0	-42.52	365.61	9.04	-33.48
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012081994	0	42	0.0	-30.36	363.82	10.84	-19.52
CCOC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])N=C1	REAL300012081995	0	42	0.0	-30.12	363.64	7.73	-22.39
C=CCOC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012081996	0	44	0.0	-35.08	381.49	10.18	-24.90
CC1=CC(C)=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1C	REAL300012081997	0	45	0.0	-30.12	368.72	11.14	-18.98
CC(C)(C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012081998	0	45	0.0	-34.11	363.98	11.01	-23.10
CC1CCC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])CC1	REAL300012081999	0	45	0.0	-32.70	350.74	10.05	-22.65
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082000	0	48	0.0	-35.31	394.93	12.20	-23.11
CCC1CCCC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C1	REAL300012082001	0	48	0.0	-32.82	368.98	10.66	-22.16
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082002	0	42	0.0	-27.44	365.20	10.93	-16.51
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])=CC2=C1	REAL300012082003	0	45	0.0	-30.37	382.10	11.05	-19.32
CCCC1CCC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])CC1	REAL300012082004	0	51	0.0	-33.54	397.04	11.66	-21.88
CC1CCCCC1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082005	0	45	0.0	-33.64	347.41	9.89	-23.75
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012082006	0	43	0.0	-38.00	371.88	11.70	-26.30
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082007	0	43	0.0	-30.06	367.24	9.42	-20.64
COC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1F	REAL300012082008	0	40	0.0	-38.50	352.97	8.73	-29.77
CC(C)C1CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])CCO1	REAL300012082009	0	49	0.0	-34.83	388.33	9.41	-25.42
CC1(C)CCC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])CC1	REAL300012082010	0	48	0.0	-34.61	372.70	10.60	-24.01
CCSC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082011	0	43	0.0	-34.34	377.59	11.18	-23.16
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012082012	1	37	0.0	-29.82	348.40	7.10	-22.72
COC1(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])CCCCC1	REAL300012082013	0	46	0.0	-30.27	356.42	8.59	-21.68
CCN1N=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C2=CC=CC=C21	REAL300012082014	0	45	0.0	-29.86	389.00	10.14	-19.72
COCCC1(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])CCCCC1	REAL300012082015	0	52	0.0	-32.94	394.33	9.52	-23.42
CCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082016	0	46	0.0	-33.70	390.09	10.39	-23.31
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012082017	0	39	0.0	-31.06	345.11	9.89	-21.17
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012082018	0	43	0.0	-35.81	376.70	11.22	-24.59
CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012082019	0	41	0.0	-43.28	361.45	10.56	-32.72
CC(C)OC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082020	0	46	0.0	-33.23	385.20	10.16	-23.07
CC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC=C1F	REAL300012082021	0	39	0.0	-33.90	343.96	10.07	-23.83
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012082022	0	40	0.0	-30.20	346.69	9.34	-20.86
CC(C)CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082023	0	48	0.0	-31.33	397.06	12.01	-19.32
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012082024	0	36	0.0	-32.87	350.68	10.38	-22.49
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012082025	0	36	0.0	-33.04	339.06	9.90	-23.14
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082026	0	42	0.0	-28.84	347.24	10.32	-18.52
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(Br)=CO1	REAL300012082027	0	33	0.0	-33.67	320.09	8.16	-25.51
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012082028	0	40	0.0	-35.86	356.49	8.94	-26.92
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012082029	0	36	0.0	-29.55	340.00	9.93	-19.62
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012082030	0	36	0.0	-29.56	337.75	9.86	-19.70
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012082031	0	36	0.0	-33.97	330.04	9.50	-24.47
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012082032	0	36	0.0	-28.67	337.23	9.85	-18.82
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012082033	0	43	0.0	-31.61	373.02	9.22	-22.39
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012082033	1	43	0.0	-31.54	373.39	9.22	-22.32
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC(F)=C1F	REAL300012082034	0	36	0.0	-29.23	327.33	9.41	-19.82
CN1C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=NC2=CC=CC=C21	REAL300012082035	0	42	0.0	-29.48	364.04	9.75	-19.73
COC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012082036	0	39	0.0	-33.59	342.94	6.02	-27.57
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012082037	0	41	0.0	-34.18	353.11	9.21	-24.97
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012082038	0	47	0.0	-32.20	389.81	9.23	-22.97
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012082039	0	40	0.0	-32.71	348.28	9.38	-23.33
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082040	0	39	0.0	-31.48	336.70	10.01	-21.47
CC1=NC(C)=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])S1	REAL300012082041	0	38	0.0	-32.18	343.55	7.86	-24.32
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082042	0	43	0.0	-41.58	372.38	7.61	-33.97
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012082043	0	42	0.0	-32.86	362.00	11.58	-21.28
COC1=C2OC(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])=CC2=CC=C1	REAL300012082044	0	43	0.0	-31.74	373.29	9.14	-22.60
COC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC(OC)=C1	REAL300012082045	0	44	0.0	-33.78	376.22	7.98	-25.80
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012082047	0	42	0.0	-43.60	365.81	8.37	-35.23
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012082048	0	43	0.0	-34.88	374.87	9.25	-25.63
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012082049	0	42	0.0	-31.62	370.13	9.18	-22.44
CN1C=NC2=CC(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])=CC=C21	REAL300012082050	0	42	0.0	-40.41	365.63	10.70	-29.71
CCN1N=C(C)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1C	REAL300012082051	0	45	0.0	-34.36	378.82	8.94	-25.42
CC1(C)CC2=CC(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])=CC=C2O1	REAL300012082052	0	47	0.0	-34.25	393.33	10.57	-23.68
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012082053	0	42	0.0	-30.47	373.90	7.79	-22.68
CC1=CC=C(F)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082054	0	39	0.0	-33.27	341.38	10.03	-23.24
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082055	0	39	0.0	-33.30	336.70	10.02	-23.28
CC1=NC=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082056	0	38	0.0	-31.25	326.03	8.06	-23.19
CC1(C)CCCC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C1	REAL300012082057	0	48	0.0	-34.43	372.22	10.58	-23.85
CC1=CCCC(C)C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082058	0	46	0.0	-30.76	362.20	10.82	-19.94
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012082059	0	41	0.0	-32.36	351.86	9.67	-22.69
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082060	0	39	0.0	-31.90	349.25	10.51	-21.39
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012082061	0	40	0.0	-36.97	353.35	10.69	-26.28
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012082062	0	35	0.0	-33.75	327.60	7.96	-25.79
CN1N=NC2=CC(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])=CC=C21	REAL300012082063	0	41	0.0	-42.78	359.90	7.78	-35.00
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1CCCCCC1	REAL300012082064	0	45	0.0	-33.35	348.37	10.04	-23.31
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])=C2O1	REAL300012082065	0	47	0.0	-30.01	394.94	10.60	-19.41
COC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082066	0	39	0.0	-36.80	344.80	6.05	-30.75
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012082067	0	43	0.0	-41.08	375.60	10.56	-30.52
CC(C)N1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012082068	0	42	0.0	-32.29	358.93	8.52	-23.77
CC1=NC2=CC=C(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])C=C2C=C1	REAL300012082069	0	44	0.0	-35.31	379.92	10.33	-24.98
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012082070	0	38	0.0	-31.26	341.09	8.43	-22.83
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012082071	0	39	0.0	-31.56	350.21	9.91	-21.65
COCC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082072	0	43	0.0	-34.63	372.31	9.08	-25.55
CC(C)(C)C1CCC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])CC1	REAL300012082073	0	54	0.0	-34.96	407.49	11.70	-23.26
CC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C(C)O1	REAL300012082074	0	39	0.0	-32.50	337.31	8.93	-23.57
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012082075	0	47	0.0	-33.29	398.49	11.13	-22.16
CC(C)CC1=NC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])S1	REAL300012082076	0	44	0.0	-31.55	383.30	9.50	-22.05
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012082077	0	39	0.0	-29.17	347.07	8.51	-20.66
COC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082078	0	40	0.0	-33.56	345.41	8.62	-24.94
CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])O1	REAL300012082079	0	36	0.0	-30.49	319.90	8.32	-22.17
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1	REAL300012082080	0	36	0.0	-32.14	317.21	9.37	-22.77
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])S1	REAL300012082081	0	44	0.0	-31.49	382.30	9.11	-22.38
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012082082	0	42	0.0	-33.81	361.74	8.52	-25.29
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012082083	0	36	0.0	-34.64	333.96	9.88	-24.76
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012082084	0	43	0.0	-34.64	376.07	10.58	-24.06
CC(C)(C)N1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012082085	0	45	0.0	-35.99	380.01	9.19	-26.80
CC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC(C)=C1	REAL300012082086	0	42	0.0	-31.70	360.04	10.69	-21.01
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(CO)O1	REAL300012082087	0	37	0.0	-37.55	331.75	5.00	-32.55
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CS1	REAL300012082088	0	33	0.0	-32.89	307.92	8.49	-24.40
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082089	0	43	0.0	-41.56	373.60	8.25	-33.31
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1Cl	REAL300012082090	0	36	0.0	-31.20	325.04	9.73	-21.47
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012082091	0	38	0.0	-43.54	345.45	10.04	-33.50
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012082092	0	38	0.0	-39.83	345.91	10.06	-29.77
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012082093	0	42	0.0	-29.61	356.45	11.45	-18.16
CN(C)C1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082094	0	44	0.0	-32.45	368.35	9.75	-22.70
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012082095	0	36	0.0	-32.81	332.64	9.85	-22.96
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012082096	0	36	0.0	-29.15	332.96	9.70	-19.45
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C=C1	REAL300012082097	0	36	0.0	-33.44	322.32	9.39	-24.05
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012082098	0	40	0.0	-30.69	353.37	8.96	-21.73
COC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1OC	REAL300012082099	0	44	0.0	-33.42	377.12	8.73	-24.69
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012082100	0	36	0.0	-27.26	344.89	10.28	-16.98
COC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1OC	REAL300012082101	0	44	0.0	-36.35	375.98	8.56	-27.79
COC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(OC)=C1	REAL300012082102	0	44	0.0	-29.76	373.07	7.97	-21.79
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012082103	0	39	0.0	-34.75	355.96	10.37	-24.38
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C=C1F	REAL300012082104	0	36	0.0	-28.94	327.43	9.41	-19.53
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012082105	0	36	0.0	-27.31	343.35	10.23	-17.08
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012082106	0	36	0.0	-32.19	347.38	10.29	-21.90
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1CC=CCC1	REAL300012082107	0	40	0.0	-33.38	328.96	9.56	-23.82
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012082108	0	40	0.0	-33.67	355.16	8.91	-24.76
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012082109	0	39	0.0	-38.83	346.24	10.49	-28.34
COC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082110	0	40	0.0	-34.89	346.73	8.67	-26.22
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082111	0	43	0.0	-32.98	364.91	11.14	-21.84
CC(C)C1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082112	0	45	0.0	-31.41	376.13	11.26	-20.15
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012082113	0	39	0.0	-36.72	355.96	10.36	-26.36
CCOC1=CC=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082114	0	43	0.0	-29.79	367.67	9.68	-20.11
CCOC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082115	0	43	0.0	-33.94	368.59	9.59	-24.35
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1F	REAL300012082116	0	36	0.0	-34.01	320.02	9.37	-24.64
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC(F)=C1	REAL300012082117	0	36	0.0	-35.56	323.64	9.44	-26.12
COC1=CC=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082118	0	40	0.0	-30.26	345.82	8.75	-21.51
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])SC=C1	REAL300012082119	0	36	0.0	-30.98	324.22	9.00	-21.98
CC1=CC=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082120	0	39	0.0	-31.10	332.47	10.01	-21.09
CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082121	0	39	0.0	-32.03	338.63	10.04	-21.99
N#CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082122	0	37	0.0	-37.49	336.76	9.72	-27.77
CSC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082123	0	40	0.0	-33.96	357.45	10.39	-23.57
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012082124	0	36	0.0	-29.25	345.32	10.19	-19.06
CC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082125	0	39	0.0	-32.11	338.63	10.03	-22.08
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CSC=C1	REAL300012082126	0	33	0.0	-32.16	307.21	8.30	-23.86
CCC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082127	0	42	0.0	-31.47	358.80	10.77	-20.70
CC1=CC(C)=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012082128	0	45	0.0	-29.70	368.51	11.00	-18.70
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C(F)C=CC=C1F	REAL300012082129	0	36	0.0	-32.00	326.51	9.37	-22.63
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012082130	0	36	0.0	-33.85	328.18	9.45	-24.40
CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])S1	REAL300012082131	0	36	0.0	-31.87	327.56	9.23	-22.64
COC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1O	REAL300012082132	0	41	0.0	-36.71	357.48	6.50	-30.21
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082133	0	42	0.0	-35.07	359.11	8.14	-26.93
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082134	0	39	0.0	-31.58	354.06	7.96	-23.62
CCC1=NN(C)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082135	0	42	0.0	-32.93	361.64	8.52	-24.41
CN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012082136	0	48	0.0	-30.17	383.87	9.45	-20.72
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CN=C1	REAL300012082137	0	35	0.0	-35.35	312.05	7.58	-27.77
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CO1	REAL300012082138	0	33	0.0	-33.73	297.19	7.47	-26.26
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=NC=C1	REAL300012082139	0	35	0.0	-33.92	310.79	7.55	-26.37
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)O1	REAL300012082140	0	33	0.0	-35.31	314.26	8.09	-27.22
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082141	0	42	0.0	-29.90	371.26	10.16	-19.74
CC1=NOC(C)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082142	0	38	0.0	-34.62	334.36	8.14	-26.48
CC1=NC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CS1	REAL300012082143	0	35	0.0	-35.37	324.20	7.11	-28.26
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012082144	0	42	0.0	-36.99	370.87	9.13	-27.86
CN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012082145	0	36	0.0	-33.10	318.29	7.13	-25.97
COC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1C	REAL300012082146	0	43	0.0	-33.83	366.81	9.40	-24.43
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082147	0	45	0.0	-30.18	363.23	8.19	-21.99
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NC=CN1	REAL300012082148	0	33	0.0	-30.36	296.66	6.09	-24.27
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082149	0	44	0.0	-32.16	374.03	8.11	-24.05
CN1C=CN=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082150	0	36	0.0	-37.69	316.96	7.73	-29.96
CC(C)(C)C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082151	0	38	0.0	-31.78	311.77	8.40	-23.38
COC1=CC=C(F)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082152	0	40	0.0	-32.95	349.45	8.65	-24.30
CSC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])S1	REAL300012082153	0	37	0.0	-32.31	348.97	9.65	-22.66
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012082154	0	39	0.0	-36.61	343.26	8.02	-28.59
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN=CN=C1	REAL300012082155	0	34	0.0	-34.33	305.08	7.33	-27.00
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C(Cl)C=CS1	REAL300012082156	0	33	0.0	-28.10	320.97	8.87	-19.23
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082157	0	40	0.0	-31.60	349.99	8.75	-22.85
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NNC=C1	REAL300012082158	0	33	0.0	-30.83	295.82	5.73	-25.10
NC(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082159	0	40	0.0	-42.09	351.77	6.15	-35.94
COC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC=C1F	REAL300012082160	0	40	0.0	-35.33	351.64	8.68	-26.65
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082161	0	40	0.0	-31.83	362.56	9.26	-22.57
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN=CS1	REAL300012082162	0	32	0.0	-33.12	302.39	6.64	-26.48
CN1C=NC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082163	0	36	0.0	-32.31	317.84	8.53	-23.78
COC(=O)C1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CN1C	REAL300012082164	0	43	0.0	-42.12	376.65	9.56	-32.56
CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1Cl	REAL300012082165	0	39	0.0	-33.81	350.93	10.42	-23.39
COC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC=C1C	REAL300012082166	0	43	0.0	-32.88	365.48	9.37	-23.51
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CSC=N1	REAL300012082167	0	32	0.0	-29.25	300.53	6.33	-22.92
CC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1F	REAL300012082168	0	39	0.0	-28.22	341.34	9.99	-18.23
N#CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012082169	0	37	0.0	-32.93	341.86	9.73	-23.20
CC1=NNC(C)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082170	0	39	0.0	-34.37	337.72	6.90	-27.47
CC1=NNC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082171	0	36	0.0	-33.22	317.20	6.47	-26.75
CN1N=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082172	0	36	0.0	-32.79	318.32	6.97	-25.82
C#CCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082173	0	45	0.0	-34.39	395.87	10.92	-23.47
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012082174	0	39	0.0	-31.42	344.22	9.87	-21.55
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])C=C12	REAL300012082175	0	44	0.0	-36.74	382.16	9.05	-27.69
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012082176	0	39	0.0	-35.67	354.08	8.61	-27.06
CCC1=NC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CS1	REAL300012082177	0	38	0.0	-35.14	345.68	7.86	-27.28
CC1=NN(C)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082178	0	39	0.0	-33.65	340.90	7.71	-25.94
CCN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012082179	0	39	0.0	-37.01	341.58	8.04	-28.97
CN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])N=N1	REAL300012082180	0	35	0.0	-42.13	313.25	5.85	-36.28
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082181	0	40	0.0	-43.32	350.46	6.10	-37.22
CN1C=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082182	0	36	0.0	-31.30	320.11	7.06	-24.24
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1CCCCCCC1	REAL300012082183	0	48	0.0	-33.07	358.97	10.51	-22.56
CC1=CSC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082184	0	35	0.0	-34.26	323.83	7.09	-27.17
COC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1F	REAL300012082185	0	40	0.0	-29.39	350.35	8.65	-20.74
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012082186	0	43	0.0	-31.82	362.74	11.27	-20.55
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=COC=N1	REAL300012082187	0	32	0.0	-30.67	291.33	3.91	-26.76
CCN1N=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082188	0	39	0.0	-31.22	335.40	7.92	-23.30
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012082189	0	42	0.0	-29.04	366.16	9.14	-19.90
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012082190	0	41	0.0	-36.52	358.22	9.84	-26.68
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])SC=N1	REAL300012082191	0	35	0.0	-32.67	321.20	7.11	-25.56
COC1=CC(F)=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082192	0	40	0.0	-33.28	351.82	8.69	-24.59
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012082193	0	46	0.0	-33.82	387.54	9.27	-24.55
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=CS1	REAL300012082194	0	36	0.0	-29.91	322.59	9.03	-20.88
CS(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082195	0	41	0.0	-40.01	369.91	7.98	-32.03
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012082196	0	46	0.0	-32.02	379.92	11.86	-20.16
N#CC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082197	0	36	0.0	-32.83	331.87	7.79	-25.04
COC(=O)C1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CN1	REAL300012082198	0	40	0.0	-34.59	358.10	7.77	-26.82
COCC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])O1	REAL300012082199	0	40	0.0	-35.74	351.78	7.34	-28.40
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082200	0	38	0.0	-34.09	334.66	8.07	-26.02
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082201	0	43	0.0	-29.10	365.03	9.34	-19.76
CC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CS1	REAL300012082202	0	36	0.0	-31.56	327.79	9.08	-22.48
CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])N=N1	REAL300012082203	0	37	0.0	-40.81	329.15	7.10	-33.71
CN1N=NC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082204	0	35	0.0	-34.84	312.43	5.77	-29.07
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(Cl)=CS1	REAL300012082205	0	33	0.0	-31.05	322.56	8.94	-22.11
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012082206	0	49	0.0	-32.18	401.23	12.58	-19.60
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])N(C)N=C1	REAL300012082207	0	39	0.0	-32.80	338.59	7.57	-25.23
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082208	0	39	0.0	-31.26	355.38	10.53	-20.73
COCC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082209	0	43	0.0	-33.22	370.52	9.06	-24.16
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012082210	0	43	0.0	-33.89	374.84	11.03	-22.86
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012082211	0	43	0.0	-32.20	366.45	11.47	-20.73
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NC=C(Cl)S1	REAL300012082212	0	32	0.0	-33.45	319.08	7.12	-26.33
C=CN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012082213	0	37	0.0	-33.76	330.51	8.33	-25.43
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012082214	0	46	0.0	-31.41	383.46	9.88	-21.53
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012082215	0	39	0.0	-33.31	349.62	10.26	-23.05
COC1=CC(C)=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012082216	0	45	0.0	-30.49	372.98	6.96	-23.53
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082217	0	40	0.0	-30.00	355.83	9.05	-20.95
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082218	0	46	0.0	-30.50	378.40	9.89	-20.61
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=NN1C	REAL300012082219	0	39	0.0	-35.71	335.04	7.58	-28.13
CCCN1N=C(C)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1C	REAL300012082220	0	48	0.0	-30.82	399.06	9.66	-21.16
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012082221	0	41	0.0	-34.47	357.89	8.98	-25.49
COCCN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012082222	0	43	0.0	-34.11	375.24	7.09	-27.02
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012082223	0	46	0.0	-31.20	381.23	11.91	-19.29
CCOC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1F	REAL300012082224	0	43	0.0	-33.54	373.05	9.63	-23.91
N#CC1=CSC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082225	0	34	0.0	-35.40	326.72	8.85	-26.55
COC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC=C1C#N	REAL300012082226	0	41	0.0	-40.21	367.41	9.10	-31.11
CC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC=C1C#N	REAL300012082227	0	40	0.0	-37.19	355.92	10.21	-26.98
CC1=CN=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])S1	REAL300012082228	0	35	0.0	-33.83	323.94	7.29	-26.54
CC(C)CN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012082229	0	45	0.0	-32.55	381.60	9.53	-23.02
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012082230	0	43	0.0	-30.57	356.45	11.25	-19.32
CCC1=CN=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])S1	REAL300012082231	0	38	0.0	-28.76	344.63	8.06	-20.70
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082232	0	45	0.0	-32.68	381.12	9.09	-23.59
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012082233	0	39	0.0	-31.94	353.37	8.96	-22.98
CC(C)C1=NC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])S1	REAL300012082234	0	41	0.0	-32.61	366.66	8.70	-23.91
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012082235	0	39	0.0	-41.60	353.42	8.37	-33.23
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])N1	REAL300012082236	0	44	0.0	-37.19	375.26	7.54	-29.65
NC(=O)C1=CSC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082237	0	37	0.0	-36.22	344.02	5.25	-30.97
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082238	0	48	0.0	-33.29	399.98	9.52	-23.77
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012082239	0	42	0.0	-32.52	372.25	9.50	-23.02
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082240	0	42	0.0	-27.57	354.81	10.46	-17.11
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012082241	0	36	0.0	-30.77	331.39	7.17	-23.60
CC(C)C1=CN=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])S1	REAL300012082242	0	41	0.0	-33.17	365.38	8.65	-24.52
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012082244	0	39	0.0	-31.85	353.12	8.83	-23.02
COCCCN1N=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082245	0	46	0.0	-31.31	390.57	7.74	-23.57
CC1=CC(F)=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(Cl)=C1	REAL300012082246	0	39	0.0	-30.28	356.70	10.42	-19.86
CSCC1=CN=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])S1	REAL300012082247	0	39	0.0	-35.29	368.65	8.51	-26.78
CCN1N=C(C)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082248	0	41	0.0	-29.82	355.07	6.91	-22.91
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012082249	0	43	0.0	-30.95	364.68	11.42	-19.53
CC1=NN(C)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082250	0	39	0.0	-31.76	337.14	7.49	-24.27
N#CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1F	REAL300012082251	0	37	0.0	-42.12	344.00	9.79	-32.33
CC1=CC(F)=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012082252	0	39	0.0	-31.17	347.95	10.03	-21.14
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082253	0	45	0.0	-30.22	377.33	9.31	-20.91
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CN1	REAL300012082254	0	43	0.0	-32.88	373.03	8.33	-24.55
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082255	0	46	0.0	-39.37	392.53	11.28	-28.09
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082256	0	45	0.0	-29.37	369.38	11.10	-18.27
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NN2CCCCC2=C1	REAL300012082257	0	43	0.0	-29.91	360.52	8.65	-21.26
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012082258	0	42	0.0	-32.21	367.05	9.00	-23.21
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012082259	0	38	0.0	-32.12	338.53	8.12	-24.00
CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(Cl)=C1	REAL300012082260	0	39	0.0	-27.84	351.79	10.49	-17.35
CCC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082261	0	42	0.0	-31.58	358.80	10.76	-20.82
COC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012082262	0	40	0.0	-29.94	352.73	8.70	-21.24
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012082263	0	43	0.0	-30.39	360.13	11.14	-19.25
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082264	0	40	0.0	-32.66	348.94	8.70	-23.96
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012082265	0	38	0.0	-36.65	349.80	9.13	-27.52
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C2CCCN2N=C1	REAL300012082266	0	40	0.0	-33.50	343.70	7.97	-25.53
CCC1=C2OC(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])=CC2=CC=C1	REAL300012082267	0	45	0.0	-30.32	386.69	11.27	-19.05
C=CCCN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])N=N1	REAL300012082268	0	42	0.0	-41.32	368.97	8.00	-33.32
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=NN1CC1CC1	REAL300012082269	0	43	0.0	-28.70	362.93	9.25	-19.45
CCOC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012082270	0	46	0.0	-31.80	383.87	10.21	-21.59
COC1=NC=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082271	0	39	0.0	-30.10	343.52	6.15	-23.95
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012082272	0	49	0.0	-32.07	401.47	12.57	-19.50
COCC1=CSC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082273	0	40	0.0	-32.93	360.98	8.16	-24.77
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012082274	0	42	0.0	-40.77	359.82	7.86	-32.91
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012082275	0	36	0.0	-30.95	339.15	8.72	-22.23
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012082276	0	36	0.0	-30.17	341.12	9.80	-20.37
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012082277	0	36	0.0	-40.97	334.82	9.56	-31.41
CCCN1N=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082278	0	42	0.0	-30.83	356.89	8.67	-22.16
CCCC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])S1	REAL300012082279	0	42	0.0	-29.93	372.33	10.82	-19.11
CC(C)C1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082280	0	45	0.0	-31.50	376.13	11.25	-20.25
CN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(Cl)=N1	REAL300012082281	0	36	0.0	-37.70	337.11	7.61	-30.09
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012082282	0	49	0.0	-31.94	408.30	12.88	-19.06
COC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC=C1Cl	REAL300012082283	0	40	0.0	-34.23	361.44	9.16	-25.07
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012082284	0	46	0.0	-31.70	388.27	9.93	-21.77
CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(F)=C1	REAL300012082285	0	39	0.0	-29.01	344.65	10.08	-18.93
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082286	0	43	0.0	-37.55	372.00	8.22	-29.33
CN1N=CC2=CC(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])=CN=C21	REAL300012082287	0	41	0.0	-39.45	361.53	8.50	-30.95
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082288	0	46	0.0	-32.17	380.64	9.33	-22.84
CC1=C(C)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CS1	REAL300012082289	0	39	0.0	-30.96	344.26	9.72	-21.24
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012082290	0	35	0.0	-36.43	334.82	8.05	-28.38
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012082291	0	42	0.0	-31.60	362.96	11.51	-20.09
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082292	0	43	0.0	-32.86	373.69	9.62	-23.24
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082293	0	39	0.0	-30.89	347.15	10.38	-20.51
COC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C(F)C=C1C	REAL300012082294	0	43	0.0	-34.57	371.79	9.46	-25.11
CC(C)(C)C1=CSC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082295	0	44	0.0	-33.52	381.50	9.04	-24.48
COCCC1=NC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])S1	REAL300012082296	0	42	0.0	-33.79	379.55	7.16	-26.63
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012082297	1	37	0.0	-30.95	337.69	6.67	-24.28
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012082298	0	44	0.0	-30.27	360.18	9.21	-21.06
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012082299	0	38	0.0	-38.62	344.99	9.90	-28.72
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012082300	0	41	0.0	-32.56	351.55	9.57	-22.99
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012082301	0	40	0.0	-38.75	353.29	7.78	-30.97
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082302	0	43	0.0	-32.28	370.79	9.62	-22.66
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012082303	0	41	0.0	-33.49	353.84	10.40	-23.09
CC1=COC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082304	0	36	0.0	-33.40	319.09	8.15	-25.25
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012082305	0	35	0.0	-28.88	327.63	7.99	-20.89
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082306	0	43	0.0	-33.67	365.88	10.64	-23.03
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN(CCF)N=C1	REAL300012082308	0	39	0.0	-33.76	346.84	8.13	-25.63
CCCC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082310	0	45	0.0	-31.25	379.84	11.55	-19.70
CC1=C2C=C(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])C=NC2=NN1	REAL300012082311	0	41	0.0	-39.01	358.99	7.84	-31.17
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NC=CS1	REAL300012082312	0	32	0.0	-29.70	302.42	6.54	-23.16
CN1N=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C2=CC=CC=C21	REAL300012082313	0	42	0.0	-34.15	365.87	9.23	-24.92
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012082314	0	39	0.0	-34.15	342.36	7.94	-26.21
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012082314	1	39	0.0	-29.62	343.52	7.97	-21.65
CCC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])S1	REAL300012082315	0	39	0.0	-29.47	349.52	10.01	-19.46
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012082316	0	41	0.0	-28.29	350.90	9.54	-18.75
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])N2C=CC=CC2=N1	REAL300012082317	0	42	0.0	-34.53	361.77	10.28	-24.25
CCC1=NC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])S1	REAL300012082318	0	38	0.0	-31.86	343.64	8.03	-23.83
COC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])SC=C1	REAL300012082319	0	37	0.0	-29.90	335.59	7.73	-22.17
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012082320	0	42	0.0	-37.50	373.88	7.62	-29.88
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CSC=C1Cl	REAL300012082321	0	33	0.0	-28.12	322.40	8.79	-19.33
CCCC(C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012082322	0	48	0.0	-35.52	394.52	11.99	-23.53
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1CC2CCC1C2	REAL300012082323	0	43	0.0	-33.35	342.59	9.98	-23.37
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(F)N=C1	REAL300012082324	0	35	0.0	-35.15	318.48	7.53	-27.62
CC1(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])CCC1	REAL300012082325	0	39	0.0	-32.24	320.52	8.96	-23.28
CC1(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])CC1	REAL300012082326	0	36	0.0	-32.26	306.09	8.63	-23.63
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1(C(F)F)CC1	REAL300012082327	0	36	0.0	-33.82	319.47	8.72	-25.10
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])NN=C1	REAL300012082328	0	36	0.0	-32.58	314.51	6.35	-26.23
CC1=CNN=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082328	1	36	0.0	-34.80	315.68	6.31	-28.49
CC1=CN=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])N1C	REAL300012082329	0	39	0.0	-37.54	337.95	8.23	-29.31
CC(C)C1CCC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])CC1	REAL300012082330	0	51	0.0	-32.55	385.33	11.11	-21.44
CCC1=NOC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082331	0	38	0.0	-31.20	327.39	8.06	-23.14
CN1N=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1Cl	REAL300012082332	0	36	0.0	-30.09	334.09	7.46	-22.63
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012082333	0	38	0.0	-33.25	339.88	6.84	-26.41
CC1=CN=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082334	0	38	0.0	-32.22	325.62	8.16	-24.06
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012082335	0	43	0.0	-35.65	365.10	11.43	-24.22
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012082336	0	42	0.0	-31.31	361.03	10.06	-21.25
CC(C)N1C=CN=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082338	0	42	0.0	-35.89	357.30	9.15	-26.74
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082339	0	43	0.0	-32.28	367.14	8.98	-23.30
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082340	0	46	0.0	-32.52	384.79	9.54	-22.98
CC1=NC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])N1C	REAL300012082341	0	39	0.0	-32.17	338.62	8.37	-23.80
CC1=C2C=C(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])NC2=CC=C1	REAL300012082342	0	43	0.0	-33.89	370.52	9.97	-23.92
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012082343	0	42	0.0	-33.34	363.47	8.33	-25.01
CC1=CC=C2C=C(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])NC2=C1	REAL300012082344	0	43	0.0	-33.18	370.93	9.99	-23.19
CC1=NC=CN=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082345	0	37	0.0	-35.03	324.20	6.17	-28.86
CCOC1=CN=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082346	0	42	0.0	-33.95	363.99	7.80	-26.15
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=NC=C1Cl	REAL300012082347	0	35	0.0	-33.65	324.26	8.08	-25.57
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012082348	0	39	0.0	-36.13	341.58	8.02	-28.11
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082349	0	44	0.0	-37.83	355.42	9.69	-28.14
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=NC(F)=C1	REAL300012082350	0	35	0.0	-38.01	317.22	7.49	-30.52
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012082351	0	40	0.0	-33.69	348.60	9.38	-24.31
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012082352	0	39	0.0	-42.02	349.84	6.85	-35.17
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012082353	0	38	0.0	-35.11	346.64	8.44	-26.67
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082354	0	45	0.0	-34.81	388.60	9.73	-25.08
COC1=CN=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1C	REAL300012082355	0	42	0.0	-32.89	356.19	7.55	-25.34
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012082356	0	49	0.0	-34.55	407.29	12.49	-22.06
CCCN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])N=N1	REAL300012082357	0	41	0.0	-41.92	357.35	7.50	-34.42
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082358	0	44	0.0	-31.46	376.74	9.46	-22.00
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012082359	0	40	0.0	-29.68	347.29	9.97	-19.71
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012082360	0	41	0.0	-41.41	363.33	9.75	-31.66
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1C	REAL300012082361	0	49	0.0	-35.04	402.83	12.34	-22.70
CC1=NSC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082362	0	35	0.0	-36.16	324.25	7.80	-28.36
CCN1N=CN=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082363	0	38	0.0	-27.77	329.29	8.49	-19.28
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012082364	0	39	0.0	-31.26	344.63	6.61	-24.65
CCC1=CNC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082365	0	39	0.0	-30.17	340.01	7.43	-22.74
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012082366	0	45	0.0	-33.88	369.41	9.84	-24.04
CC1=NN(C)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1Cl	REAL300012082367	0	39	0.0	-33.00	354.54	7.97	-25.03
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012082368	0	44	0.0	-33.44	369.61	9.95	-23.49
CCC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(Cl)=NN1	REAL300012082369	0	39	0.0	-35.02	353.55	7.45	-27.57
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012082370	0	40	0.0	-34.61	363.58	8.32	-26.29
CCC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C)=NO1	REAL300012082371	0	41	0.0	-30.95	352.38	8.96	-21.99
CCN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])N=N1	REAL300012082372	0	38	0.0	-42.32	335.86	6.73	-35.59
CC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C2CCCCC2=N1	REAL300012082373	0	48	0.0	-31.66	389.23	10.55	-21.11
CCOC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])O1	REAL300012082374	0	40	0.0	-34.43	352.06	8.85	-25.58
CCN1C=NC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082375	0	39	0.0	-38.03	341.51	9.56	-28.47
CC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CN=C1F	REAL300012082376	0	38	0.0	-37.20	337.55	8.11	-29.09
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082377	0	38	0.0	-36.19	334.24	8.18	-28.01
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012082378	0	39	0.0	-35.86	356.43	10.31	-25.55
COC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C)=C1	REAL300012082379	0	43	0.0	-31.12	359.78	9.25	-21.87
CC1CC2=CC(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])=CC=C2O1	REAL300012082380	0	44	0.0	-33.54	372.93	9.93	-23.61
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012082381	0	39	0.0	-33.99	349.44	6.88	-27.11
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012082382	0	41	0.0	-30.63	353.44	9.21	-21.42
CSCC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082383	0	43	0.0	-33.26	381.58	11.21	-22.05
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012082384	0	46	0.0	-36.34	388.16	10.07	-26.27
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082385	0	44	0.0	-34.03	372.96	6.99	-27.04
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082386	0	43	0.0	-33.59	364.37	8.87	-24.72
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=NN1C1CCC1	REAL300012082387	0	43	0.0	-31.41	366.46	9.18	-22.23
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012082388	0	43	0.0	-32.68	365.38	9.15	-23.53
COC1=CC=C(C)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082389	0	43	0.0	-33.84	362.01	9.29	-24.55
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])=C21	REAL300012082390	0	42	0.0	-34.13	356.09	10.63	-23.50
CCC1=CC=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082391	0	42	0.0	-30.70	351.12	10.67	-20.03
CC1=CC(F)=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082392	0	39	0.0	-31.71	345.06	10.10	-21.61
CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C)=C1C	REAL300012082393	0	45	0.0	-31.08	367.24	11.10	-19.98
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082394	0	48	0.0	-27.54	354.22	10.89	-16.65
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN=C2CCCCCN12	REAL300012082395	0	46	0.0	-35.30	373.30	9.76	-25.54
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CON=C1C1CC1	REAL300012082396	0	39	0.0	-32.90	344.51	8.95	-23.95
CCN1CCC2=CC(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])=CC=C21	REAL300012082397	0	48	0.0	-32.37	395.20	9.95	-22.42
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=NN1C(C)C	REAL300012082398	0	45	0.0	-35.55	378.41	9.10	-26.45
CC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC=C1C1CC1	REAL300012082399	0	46	0.0	-31.92	384.25	11.98	-19.94
CCOC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC=N1	REAL300012082400	0	42	0.0	-32.98	366.16	7.01	-25.97
CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1C1CC1	REAL300012082401	0	46	0.0	-31.04	382.36	11.94	-19.10
COC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])O1	REAL300012082402	0	37	0.0	-34.63	330.20	7.91	-26.72
COCCOC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])O1	REAL300012082403	0	44	0.0	-36.60	386.87	8.14	-28.46
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082404	0	48	0.0	-34.62	400.68	9.68	-24.94
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NN(CCF)C=C1	REAL300012082405	0	39	0.0	-31.65	348.23	8.06	-23.59
CCN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012082406	0	42	0.0	-32.84	361.69	8.65	-24.19
CN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C2CC2)=N1	REAL300012082407	0	43	0.0	-35.27	371.90	9.34	-25.93
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082408	0	43	0.0	-32.74	370.01	9.05	-23.69
CC(C)C1=NOC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082409	0	41	0.0	-33.25	355.92	8.67	-24.58
COC1=NC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1F	REAL300012082410	0	39	0.0	-30.89	350.36	6.14	-24.75
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN2C=CN=C2S1	REAL300012082411	0	36	0.0	-39.66	335.08	9.35	-30.31
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012082412	0	48	0.0	-33.16	401.63	10.93	-22.23
CC1=C(C)SC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082413	0	38	0.0	-29.30	343.11	7.84	-21.46
CC1OC2=CC=C(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])C=C2C1C	REAL300012082414	0	47	0.0	-33.91	389.28	10.43	-23.48
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CSN=C1	REAL300012082415	0	32	0.0	-33.20	300.42	6.97	-26.23
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082416	0	48	0.0	-30.65	387.21	11.83	-18.82
CC(C)CN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])N=N1	REAL300012082417	0	44	0.0	-30.95	371.32	8.07	-22.88
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012082418	0	39	0.0	-29.08	353.47	8.63	-20.45
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012082419	0	36	0.0	-35.59	338.74	6.72	-28.87
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012082420	0	41	0.0	-35.61	351.78	9.17	-26.44
CN1C=C(Cl)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082421	1	36	0.0	-31.72	336.67	7.56	-24.16
CSC1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082422	0	40	0.0	-34.40	356.14	10.34	-24.06
CC(C)C1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])N(C)N=C1	REAL300012082423	0	45	0.0	-31.43	375.82	8.77	-22.66
CC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC(C)=N1	REAL300012082424	0	41	0.0	-34.14	355.33	8.82	-25.32
CCCN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012082425	0	45	0.0	-31.61	380.96	9.33	-22.28
CCN1C=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082426	0	39	0.0	-31.09	341.64	7.93	-23.16
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012082427	0	38	0.0	-34.15	338.55	8.04	-26.11
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012082429	0	43	0.0	-29.63	381.11	11.56	-18.07
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012082430	0	44	0.0	-32.90	376.45	10.29	-22.61
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082431	0	43	0.0	-44.23	373.71	7.64	-36.59
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012082432	0	43	0.0	-33.37	364.81	8.29	-25.08
CCCN1C=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082433	0	42	0.0	-30.85	363.14	8.69	-22.16
CC(C)N1C=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082434	0	42	0.0	-29.75	358.99	8.41	-21.34
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082435	0	47	0.0	-34.34	389.10	9.89	-24.45
CN1C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=NC2=C1CCCC2	REAL300012082436	0	46	0.0	-28.03	379.15	10.01	-18.02
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082437	0	39	0.0	-30.38	360.33	6.58	-23.80
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012082438	0	39	0.0	-32.10	356.28	10.31	-21.79
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012082439	0	44	0.0	-31.62	363.15	9.34	-22.28
COC1=NN(C)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082440	0	40	0.0	-31.67	353.39	5.12	-26.55
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012082441	0	40	0.0	-29.41	355.86	6.67	-22.74
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012082442	0	43	0.0	-29.81	360.19	10.14	-19.67
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012082443	0	38	0.0	-39.64	350.55	10.07	-29.57
COC1=CC(C)=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012082445	0	42	0.0	-33.20	357.78	6.64	-26.56
COC1=CC(C)=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1O	REAL300012082446	0	44	0.0	-36.36	372.72	7.12	-29.24
COC1=NC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC=C1C	REAL300012082447	0	42	0.0	-29.17	363.21	6.70	-22.47
CCCN1C=NC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082448	0	42	0.0	-29.73	353.75	10.21	-19.52
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CNC1=O	REAL300012082449	0	36	0.0	-45.44	319.08	6.24	-39.20
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012082450	0	43	0.0	-41.25	374.34	9.31	-31.94
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012082451	0	49	0.0	-32.01	408.36	12.88	-19.13
CCC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=NN1CC	REAL300012082452	0	45	0.0	-34.21	374.70	9.21	-25.00
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012082453	0	36	0.0	-31.42	344.02	9.92	-21.50
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012082454	0	40	0.0	-33.76	349.29	7.84	-25.92
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012082455	0	40	0.0	-35.90	361.41	8.93	-26.97
COC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=CS1	REAL300012082456	0	37	0.0	-29.31	337.00	7.75	-21.56
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082457	0	42	0.0	-34.54	369.12	10.85	-23.69
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012082458	0	43	0.0	-33.95	377.90	7.08	-26.87
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012082459	0	36	0.0	-35.27	332.72	9.50	-25.77
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082460	0	45	0.0	-32.99	377.44	8.15	-24.84
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082461	0	43	0.0	-30.00	362.59	11.18	-18.82
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC=CC1=CC=CC=C1	REAL300012082462	0	40	0.0	-35.85	348.27	10.65	-25.20
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN=NN1C1CC1	REAL300012082463	0	39	0.0	-33.39	344.13	7.42	-25.97
COCC1=CC=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082464	0	43	0.0	-29.97	361.90	9.16	-20.81
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012082465	0	44	0.0	-33.79	369.61	9.41	-24.38
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CN(CCO)N=C1	REAL300012082466	0	40	0.0	-34.20	351.67	4.64	-29.56
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012082467	0	42	0.0	-35.93	370.07	7.49	-28.44
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC=CC1=CC=NC=C1	REAL300012082468	0	39	0.0	-38.74	343.29	8.89	-29.85
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082469	0	43	0.0	-31.15	371.86	7.24	-23.91
C=CC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082470	0	40	0.0	-31.89	347.03	10.41	-21.48
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082471	0	42	0.0	-37.57	356.07	10.83	-26.74
CCN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C2CC2)=N1	REAL300012082472	0	46	0.0	-34.43	391.45	10.14	-24.29
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082473	0	44	0.0	-37.97	363.97	9.10	-28.87
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012082474	0	41	0.0	-35.34	356.89	9.81	-25.53
CC1=CC2=CC=CC(C[NH2+]C(CC3=CSC=C3C(F)(F)F)C(=O)[O-])=C2O1	REAL300012082475	0	42	0.0	-30.15	366.93	10.53	-19.62
COC1=CSC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1OC	REAL300012082476	0	41	0.0	-29.75	370.46	7.42	-22.33
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CON=C1C1CCC1	REAL300012082477	0	42	0.0	-32.44	360.15	9.40	-23.04
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082478	0	39	0.0	-44.76	361.46	4.98	-39.78
CCN1C=C(Cl)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082479	1	39	0.0	-32.62	357.41	8.41	-24.21
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012082480	0	36	0.0	-38.19	342.05	9.92	-28.27
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012082481	0	39	0.0	-37.51	351.39	10.30	-27.21
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012082482	0	42	0.0	-28.75	365.98	11.57	-17.18
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CSC(Cl)=C1	REAL300012082483	0	33	0.0	-34.19	324.24	8.93	-25.26
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=NN1C1CCC1	REAL300012082484	0	46	0.0	-35.55	384.41	9.74	-25.81
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=NN1CC(F)F	REAL300012082485	0	39	0.0	-34.38	348.60	8.19	-26.19
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012082486	0	35	0.0	-31.26	331.75	7.97	-23.29
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082487	0	43	0.0	-32.72	371.51	7.48	-25.24
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012082488	0	43	0.0	-30.08	365.45	9.04	-21.04
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012082489	0	39	0.0	-33.37	354.64	8.23	-25.14
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012082490	0	40	0.0	-32.29	361.84	8.76	-23.53
CC1=CN(C)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082491	0	39	0.0	-28.90	338.82	8.33	-20.57
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012082492	0	46	0.0	-29.15	381.69	9.67	-19.48
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012082493	0	35	0.0	-27.91	340.05	8.35	-19.56
CC1=NSC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082494	0	35	0.0	-32.19	317.46	7.47	-24.72
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012082495	0	39	0.0	-37.04	339.20	10.32	-26.72
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012082496	0	39	0.0	-40.53	343.48	8.07	-32.46
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012082497	0	36	0.0	-38.72	342.49	9.93	-28.79
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082498	0	39	0.0	-30.34	336.16	9.91	-20.43
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082499	0	41	0.0	-31.58	365.24	9.13	-22.45
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082500	0	38	0.0	-32.28	342.89	8.48	-23.80
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082501	0	40	0.0	-33.10	363.46	9.18	-23.92
COC1=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=CC(F)=C1F	REAL300012082502	0	40	0.0	-36.23	359.25	8.80	-27.43
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082503	0	42	0.0	-31.39	360.73	7.52	-23.87
CC(C)N1C=NC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082504	0	42	0.0	-36.98	359.94	9.90	-27.08
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082505	0	43	0.0	-28.61	378.99	6.83	-21.78
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C2CC2)=NO1	REAL300012082506	0	42	0.0	-31.05	366.49	9.77	-21.28
CC(C)OC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])O1	REAL300012082507	0	43	0.0	-30.73	373.15	9.58	-21.15
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082508	0	37	0.0	-38.60	344.51	9.82	-28.78
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082509	0	44	0.0	-37.90	375.31	9.98	-27.92
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082510	0	46	0.0	-32.36	385.51	9.76	-22.60
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=NN1CC(F)F	REAL300012082511	0	42	0.0	-39.54	370.01	8.73	-30.81
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082512	0	43	0.0	-32.83	378.59	8.57	-24.26
COC1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C)=N1	REAL300012082513	0	42	0.0	-33.27	360.35	6.61	-26.66
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=NS1	REAL300012082514	0	35	0.0	-33.61	318.20	7.74	-25.87
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=NO1	REAL300012082515	0	35	0.0	-36.52	313.94	7.63	-28.89
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(CF)C=C1	REAL300012082516	0	39	0.0	-34.63	345.67	10.21	-24.42
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012082517	0	39	0.0	-33.23	352.85	10.69	-22.54
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC=C1CO	REAL300012082518	0	40	0.0	-32.48	341.88	6.82	-25.66
CC1=NSC(C)=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082519	0	38	0.0	-30.46	336.37	8.10	-22.36
CC(C)(C)C1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=NO1	REAL300012082520	0	44	0.0	-32.02	358.06	9.36	-22.66
C=CCN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=N1	REAL300012082521	0	40	0.0	-33.07	353.06	8.53	-24.54
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012082522	0	39	0.0	-39.44	342.17	8.02	-31.42
CCC(C)C1=CC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300012082523	0	48	0.0	-31.10	394.13	11.92	-19.18
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=N1	REAL300012082524	0	41	0.0	-37.46	366.74	9.34	-28.12
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012082525	0	46	0.0	-30.44	371.77	11.69	-18.75
O=C([O-])C(CC1=CSC=C1C(F)(F)F)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012082526	0	42	0.0	-38.89	367.82	9.24	-29.65
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012082527	0	45	0.0	-32.43	374.66	12.12	-20.31
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082528	0	44	0.0	-32.53	376.90	8.83	-23.70
CC1=NC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C(C)S1	REAL300012082529	0	38	0.0	-28.11	343.11	7.81	-20.30
CCCN1N=CC(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1C	REAL300012082530	0	45	0.0	-36.61	382.38	9.24	-27.37
CC1=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012082531	0	44	0.0	-28.93	369.30	10.42	-18.51
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300012082532	0	43	0.0	-33.38	376.82	9.43	-23.95
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300012082533	0	45	0.0	-29.84	376.49	9.18	-20.66
CN1C=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])C(C2CCC2)=N1	REAL300012082534	0	46	0.0	-31.85	386.74	9.74	-22.11
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CSC=C2C(F)(F)F)C(=O)[O-])O1	REAL300012082535	0	44	0.0	-34.55	376.83	6.88	-27.67
CC1=CC=C(N2C=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012082536	0	54	0.0	-49.18	410.46	11.64	-37.54
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012082537	0	50	0.0	-53.26	405.34	10.58	-42.68
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082538	0	42	0.0	-63.74	364.70	9.47	-54.27
COC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012082539	0	53	0.0	-66.82	427.66	11.23	-55.59
CC(C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1)C(F)C(=O)[O-]	REAL300012082540	0	49	0.0	-48.21	400.65	11.98	-36.23
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012082541	0	50	0.0	-52.99	422.08	11.10	-41.89
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OCC1=CC=C(F)C=C1	REAL300012082542	0	50	0.0	-52.08	409.56	10.56	-41.52
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C2)C=C1	REAL300012082543	0	50	0.0	-56.86	404.12	8.63	-48.23
CC(C[NH2+]CC1=CC=CC(NC(=O)C2=CC=CC=C2Cl)=C1)C(F)C(=O)[O-]	REAL300012082544	0	46	0.0	-58.75	389.16	9.93	-48.82
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OCC(=O)N1CCOCC1	REAL300012082545	0	55	0.0	-60.83	432.27	7.54	-53.29
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082546	0	42	0.0	-67.34	343.49	9.22	-58.12
CC(C[NH2+]CC1=CN(CCC#N)N=C1C1=CC=CC=C1)C(F)C(=O)[O-]	REAL300012082547	0	46	0.0	-50.81	384.75	9.87	-40.94
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OC(F)F	REAL300012082548	0	40	0.0	-53.65	333.33	6.88	-46.77
CC(C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1)C(F)C(=O)[O-]	REAL300012082549	0	48	0.0	-47.58	393.11	10.11	-37.47
CC(C[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1)C(F)C(=O)[O-]	REAL300012082550	0	39	0.0	-47.43	344.59	9.84	-37.59
CCOC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC(Br)=C1OC	REAL300012082551	0	43	0.0	-68.40	367.83	8.21	-60.19
CCOC1=C(Br)C=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012082552	0	43	0.0	-69.58	369.95	8.32	-61.26
C=CCOC1=C(Br)C=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012082553	0	44	0.0	-68.60	380.73	8.82	-59.78
CCCOC1=C(Br)C=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012082554	0	46	0.0	-68.07	389.33	9.05	-59.02
CCCOC1=CC=C(Br)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082555	0	42	0.0	-58.58	358.15	9.12	-49.46
CC(C[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1)C(F)C(=O)[O-]	REAL300012082556	0	46	0.0	-55.78	372.74	10.70	-45.08
CCCCCOC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012082557	0	48	0.0	-62.15	378.74	9.93	-52.22
CC(C[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C(F)C(=O)[O-]	REAL300012082558	0	41	0.0	-69.76	351.33	9.90	-59.86
CC(C[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1)C(F)C(=O)[O-]	REAL300012082559	0	41	0.0	-54.90	353.66	9.96	-44.94
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1Br	REAL300012082560	0	36	0.0	-50.29	314.75	7.37	-42.92
CCCCOC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012082561	0	49	0.0	-49.88	386.23	9.02	-40.86
CCCOC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012082562	0	46	0.0	-49.88	364.73	8.24	-41.64
C=CCOC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012082563	0	44	0.0	-51.87	358.33	8.10	-43.77
CCCCCCOC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012082564	0	55	0.0	-51.23	431.43	10.66	-40.57
CC(C[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1)C(F)C(=O)[O-]	REAL300012082565	0	39	0.0	-47.33	340.02	9.73	-37.60
CC(C[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1)C(F)C(=O)[O-]	REAL300012082566	0	39	0.0	-63.54	342.13	9.86	-53.68
CC(C[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1)C(F)C(=O)[O-]	REAL300012082567	0	39	0.0	-64.66	346.55	9.93	-54.73
CC(C[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C(F)C(=O)[O-]	REAL300012082568	0	39	0.0	-62.34	347.84	10.65	-51.69
CC(C[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1)C(F)C(=O)[O-]	REAL300012082569	0	42	0.0	-51.18	349.48	9.07	-42.11
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC(OC)=C1OCC1=CC=CC=C1	REAL300012082570	0	54	0.0	-56.17	438.90	10.51	-45.66
CC(C[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1)C(F)C(=O)[O-]	REAL300012082571	0	41	0.0	-67.43	347.22	10.52	-56.91
CC(C[NH2+]CC1=CN(C)N=C1C1=CC=C2OCCCOC2=C1)C(F)C(=O)[O-]	REAL300012082572	0	51	0.0	-53.94	405.18	8.43	-45.51
CC(C[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1)C(F)C(=O)[O-]	REAL300012082573	0	38	0.0	-61.86	334.14	8.20	-53.66
CC(C[NH2+]CC1=CC=CC=C1OC(F)(F)F)C(F)C(=O)[O-]	REAL300012082574	0	36	0.0	-60.15	309.59	7.28	-52.87
CC(C[NH2+]CC1=CC=C(SC(F)(F)F)C=C1)C(F)C(=O)[O-]	REAL300012082575	0	36	0.0	-66.36	321.40	8.88	-57.48
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012082576	0	39	0.0	-67.25	325.37	5.11	-62.14
CC(C[NH2+]CC1=CC=C(OC(F)(F)F)C=C1)C(F)C(=O)[O-]	REAL300012082577	0	36	0.0	-66.44	311.00	7.21	-59.23
CC(C[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1)C(F)C(=O)[O-]	REAL300012082578	0	41	0.0	-68.84	359.30	10.80	-58.04
CC(C[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C(F)C(=O)[O-]	REAL300012082579	0	41	0.0	-54.52	359.27	10.81	-43.71
CC(C[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1)C(F)C(=O)[O-]	REAL300012082580	0	39	0.0	-47.84	325.85	7.26	-40.58
CC1=CC=C(C2=NNC=C2C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012082581	0	42	0.0	-49.73	340.80	7.85	-41.88
COC1=CC=C(C2=NNC=C2C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012082582	0	43	0.0	-54.29	351.04	6.55	-47.74
CCOC1=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012082583	0	51	0.0	-47.40	402.16	7.97	-39.43
CC1=CC=C(C2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])O2)C=C1	REAL300012082584	0	42	0.0	-47.90	346.88	9.96	-37.94
CC(C[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1)C(F)C(=O)[O-]	REAL300012082585	0	45	0.0	-68.87	365.68	6.43	-62.44
CC(C[NH2+]CC1=CC=C(OCC2CCCO2)C=C1)C(F)C(=O)[O-]	REAL300012082586	0	47	0.0	-51.55	373.55	8.01	-43.54
CC(C[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1)C(F)C(=O)[O-]	REAL300012082587	0	39	0.0	-62.90	337.53	10.20	-52.70
CC1=CC=CC(C2=NN(C3=CC=C(F)C=C3)C=C2C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082588	0	52	0.0	-47.75	426.24	12.63	-35.12
CC(C[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1)C(F)C(=O)[O-]	REAL300012082589	0	45	0.0	-61.31	367.69	9.07	-52.24
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082590	0	41	0.0	-50.91	335.70	6.41	-44.50
CC(C[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)S1)C(F)C(=O)[O-]	REAL300012082591	0	39	0.0	-62.36	352.41	10.76	-51.60
CC(C)N1N=CC2=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C(Cl)N=C21	REAL300012082592	0	43	0.0	-49.82	364.06	8.50	-41.32
CC(C[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1)C(F)C(=O)[O-]	REAL300012082593	0	39	0.0	-47.80	347.30	10.62	-37.18
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012082594	0	49	0.0	-54.99	400.22	8.80	-46.19
CC(C[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1)C(F)C(=O)[O-]	REAL300012082595	0	39	0.0	-50.45	341.89	10.36	-40.09
CC(C[NH2+]CC1=CC=C(C2=CC=CC=C2Br)S1)C(F)C(=O)[O-]	REAL300012082596	0	39	0.0	-47.77	350.87	10.70	-37.07
CC(C[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C(F)C(=O)[O-]	REAL300012082597	0	35	0.0	-45.44	313.22	8.80	-36.64
CC(C[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C(F)C(=O)[O-]	REAL300012082598	0	35	0.0	-52.61	306.96	8.37	-44.24
CC(C[NH2+]CC1=CC=C(F)C=C1C(F)(F)F)C(F)C(=O)[O-]	REAL300012082599	0	35	0.0	-64.42	297.82	8.47	-55.95
CC(C[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C(F)C(=O)[O-]	REAL300012082600	0	35	0.0	-68.13	308.02	8.41	-59.72
CC(C[NH2+]CC1=CC(C(F)(F)F)=CC=C1F)C(F)C(=O)[O-]	REAL300012082601	0	35	0.0	-46.95	305.89	8.37	-38.58
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(Cl)=C1OC	REAL300012082602	0	40	0.0	-46.82	339.45	7.18	-39.64
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082603	0	48	0.0	-45.06	398.37	10.62	-34.44
CC(C[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)S1)C(F)C(=O)[O-]	REAL300012082604	0	39	0.0	-48.53	351.77	10.72	-37.81
CC(C[NH2+]CC1=CC(Cl)=CC=C1OC(F)F)C(F)C(=O)[O-]	REAL300012082605	0	36	0.0	-62.22	317.91	7.50	-54.72
CC(C[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C(F)C(=O)[O-]	REAL300012082606	0	39	0.0	-48.53	347.21	10.61	-37.92
CC(C[NH2+]CC1=CC=CC(OCC2=CC=CC(C#N)=C2)=C1)C(F)C(=O)[O-]	REAL300012082607	0	47	0.0	-52.23	396.95	11.08	-41.15
CC(C[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1)C(F)C(=O)[O-]	REAL300012082608	0	42	0.0	-51.66	347.72	5.92	-45.74
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012082609	0	43	0.0	-54.61	365.00	7.98	-46.63
CC(C[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C(F)C(=O)[O-]	REAL300012082610	0	45	0.0	-65.95	369.03	8.87	-57.08
CC(C[NH2+]CC1=CC(Br)=C2OCCOC2=C1)C(F)C(=O)[O-]	REAL300012082611	0	38	0.0	-52.35	330.08	7.22	-45.13
CC(C[NH2+]CC1=CC(Br)=C2OCCCOC2=C1)C(F)C(=O)[O-]	REAL300012082612	0	41	0.0	-53.36	348.52	8.01	-45.35
CC(C[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C(F)C(=O)[O-]	REAL300012082613	0	42	0.0	-58.49	364.75	9.56	-48.93
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082614	0	41	0.0	-61.03	345.11	7.36	-53.67
CC(C[NH2+]CC1=CSC(C2=CC=CC=N2)=N1)C(F)C(=O)[O-]	REAL300012082615	0	37	0.0	-64.41	325.27	6.34	-58.07
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082616	0	44	0.0	-64.30	344.66	8.93	-55.37
CC(C[NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)N=C1)C(F)C(=O)[O-]	REAL300012082617	0	48	0.0	-71.62	383.12	7.34	-64.28
CC(C[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C(F)C(=O)[O-]	REAL300012082618	0	39	0.0	-49.41	335.77	8.09	-41.32
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082619	0	44	0.0	-63.16	349.05	9.42	-53.74
CC(C[NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C(F)C(=O)[O-]	REAL300012082620	0	39	0.0	-62.84	331.41	10.00	-52.84
CC(C[NH2+]CC1=CC=CC(OC2CCCC2)=C1)C(F)C(=O)[O-]	REAL300012082621	0	46	0.0	-62.05	360.09	9.63	-52.42
CC(C[NH2+]CC1=CN(C)N=C1C1=CC2=CC=CC=C2O1)C(F)C(=O)[O-]	REAL300012082622	0	45	0.0	-61.22	372.16	9.37	-51.85
CC1=CC=C(C2=NC(C[NH2+]CC(C)C(F)C(=O)[O-])=CS2)C=C1	REAL300012082623	0	41	0.0	-61.54	351.26	8.88	-52.66
CC(C[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C(F)C(=O)[O-]	REAL300012082624	0	46	0.0	-49.08	379.82	10.85	-38.23
CC(C[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1)C(F)C(=O)[O-]	REAL300012082625	0	42	0.0	-47.00	361.66	7.72	-39.28
CC(C[NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)C(F)C(=O)[O-]	REAL300012082626	0	41	0.0	-64.08	368.54	9.21	-54.87
CC(C[NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1)C(F)C(=O)[O-]	REAL300012082627	0	42	0.0	-47.45	378.39	8.23	-39.22
CC1=CC=C(OCC2=NC(C[NH2+]CC(C)C(F)C(=O)[O-])=CS2)C=C1	REAL300012082628	0	45	0.0	-46.88	383.07	8.39	-38.49
COC1=CC=C(OCC2=NC(C[NH2+]CC(C)C(F)C(=O)[O-])=CS2)C=C1	REAL300012082629	0	46	0.0	-48.33	391.16	7.01	-41.32
CC(C[NH2+]CC1=CSC(C2=CSC=C2)=N1)C(F)C(=O)[O-]	REAL300012082630	0	35	0.0	-61.44	320.89	7.14	-54.30
CC(C[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C(F)C(=O)[O-]	REAL300012082631	0	39	0.0	-49.45	336.89	10.17	-39.28
CC(C[NH2+]CC1=CC=CC=C1OCC(=O)N(C)C)C(F)C(=O)[O-]	REAL300012082632	0	46	0.0	-61.28	371.00	8.30	-52.98
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C([N+](=O)[O-])C=C1OCC(F)(F)F	REAL300012082633	0	45	0.0	-67.94	383.19	8.51	-59.43
CC(C[NH2+]CC1=CC=CC=C1OC1CCCC1)C(F)C(=O)[O-]	REAL300012082634	0	46	0.0	-45.32	358.94	9.67	-35.65
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082635	0	49	0.0	-60.89	395.42	8.27	-52.62
CC1=CC=C(C2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])S2)C=C1	REAL300012082636	0	42	0.0	-62.46	354.61	10.87	-51.59
COC1=CC(OC2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C2)=CC(OC)=C1	REAL300012082637	0	51	0.0	-67.53	414.40	8.95	-58.58
CC(C[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F)C(F)C(=O)[O-]	REAL300012082638	0	38	0.0	-69.88	329.38	7.65	-62.23
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082639	0	36	0.0	-62.89	327.33	7.86	-55.03
CCOCCOC1=CC=C(Br)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082640	0	46	0.0	-57.75	390.05	8.48	-49.27
CC(C[NH2+]CC1=CC(Br)=CC=C1Cl)C(F)C(=O)[O-]	REAL300012082641	0	32	0.0	-58.14	297.27	8.41	-49.73
CC(C[NH2+]CC1=CC(Cl)=CC=C1Br)C(F)C(=O)[O-]	REAL300012082642	0	32	0.0	-57.47	296.29	8.41	-49.06
CC(C[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)C(F)C(=O)[O-]	REAL300012082643	0	43	0.0	-65.28	366.53	10.41	-54.87
CCOC1=C(OC)C=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012082644	0	47	0.0	-55.09	378.99	7.46	-47.63
COCCCOC1=CC=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082645	0	46	0.0	-63.90	371.90	7.51	-56.39
COC1=CC=C(OC(F)F)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082646	0	40	0.0	-62.48	332.73	6.32	-56.16
CC(C[NH2+]CC1=CC=CC(Br)=C1OC(F)F)C(F)C(=O)[O-]	REAL300012082647	0	36	0.0	-45.13	318.25	7.55	-37.58
CC(C[NH2+]CC1=C(Cl)C=CC=C1OC(F)F)C(F)C(=O)[O-]	REAL300012082648	0	36	0.0	-55.72	314.86	7.39	-48.33
CC(C[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1)C(F)C(=O)[O-]	REAL300012082649	0	52	0.0	-62.47	417.54	12.19	-50.28
CC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012082650	0	45	0.0	-51.22	365.79	9.03	-42.19
CC(C[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1)C(F)C(=O)[O-]	REAL300012082651	0	50	0.0	-59.46	404.58	8.63	-50.83
CC1=CC=C(C2=NC=C(C[NH2+]CC(C)C(F)C(=O)[O-])S2)C=C1	REAL300012082652	0	41	0.0	-64.46	351.79	9.11	-55.35
CC(C[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C(F)C(=O)[O-]	REAL300012082653	0	37	0.0	-45.12	319.57	8.37	-36.75
CC(C[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12)C(F)C(=O)[O-]	REAL300012082654	0	37	0.0	-44.61	319.17	8.34	-36.27
CC(C[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)C(F)C(=O)[O-]	REAL300012082655	0	39	0.0	-65.01	339.74	9.47	-55.54
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])O1	REAL300012082656	0	42	0.0	-65.06	352.21	10.05	-55.01
CCC1=CC=C(C2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])O2)C=C1	REAL300012082657	0	45	0.0	-47.76	368.36	10.73	-37.03
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(OC(F)F)=C1	REAL300012082658	0	40	0.0	-63.77	330.25	6.28	-57.49
CC(C[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1)C(F)C(=O)[O-]	REAL300012082659	0	40	0.0	-66.56	331.77	9.18	-57.38
CC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1Br	REAL300012082660	0	35	0.0	-49.41	304.33	8.59	-40.82
CC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1Br	REAL300012082661	0	35	0.0	-49.46	304.33	8.59	-40.87
CC(C[NH2+]CC1=CC(Cl)=CC2=C1OCC2)C(F)C(=O)[O-]	REAL300012082662	0	37	0.0	-58.57	315.78	7.71	-50.86
CC(C[NH2+]CC1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C(F)C(=O)[O-]	REAL300012082663	0	51	0.0	-46.08	399.41	11.53	-34.55
CC1=CC=C(C)C(OC2=CC=CC(Cl)=C2C[NH2+]CC(C)C(F)C(=O)[O-])=C1C	REAL300012082664	0	52	0.0	-42.75	424.99	12.67	-30.08
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082665	0	52	0.0	-43.19	398.31	10.47	-32.72
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082666	0	52	0.0	-43.18	403.74	10.46	-32.72
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C2C)=C1	REAL300012082667	0	55	0.0	-63.90	437.37	12.81	-51.09
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1C	REAL300012082668	0	55	0.0	-65.30	434.26	12.91	-52.39
CC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300012082669	0	52	0.0	-63.35	429.09	12.73	-50.62
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012082670	0	50	0.0	-64.79	399.84	12.19	-52.60
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082671	0	48	0.0	-51.53	402.02	10.45	-41.08
CCN(CC)C1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1F	REAL300012082672	0	46	0.0	-48.50	361.91	8.38	-40.12
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C(SC)C=C1OC	REAL300012082673	0	44	0.0	-60.41	357.63	7.48	-52.93
COC1=CC=C2N=C(C[NH2+]CC(C)C(F)C(=O)[O-])SC2=C1	REAL300012082674	0	38	0.0	-46.35	324.28	6.13	-40.22
CC(C[NH2+]CC1=NC2=CC=C(Cl)C=C2N1C)C(F)C(=O)[O-]	REAL300012082675	0	38	0.0	-68.22	328.50	8.27	-59.95
CC(C[NH2+]CC1=CC=C(SC(F)F)C=C1)C(F)C(=O)[O-]	REAL300012082676	0	36	0.0	-65.62	314.82	8.68	-56.94
CC(C[NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C(F)C(=O)[O-]	REAL300012082677	0	36	0.0	-51.82	308.12	6.97	-44.85
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082678	0	38	0.0	-64.87	316.74	9.00	-55.87
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC(Cl)=C1OC	REAL300012082679	0	40	0.0	-68.70	341.60	7.18	-61.52
CCOC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OC(C)C(=O)N(C)C	REAL300012082680	0	56	0.0	-60.35	436.09	9.23	-51.12
CC(C[NH2+]CC1=CC(Br)=CC=C1OC(F)F)C(F)C(=O)[O-]	REAL300012082681	0	36	0.0	-62.14	322.47	7.61	-54.53
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082682	0	48	0.0	-47.09	403.33	10.48	-36.61
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OCC(C)C	REAL300012082683	0	49	0.0	-51.49	387.04	9.00	-42.49
CCCOC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OC	REAL300012082684	0	46	0.0	-49.90	364.73	8.24	-41.66
CC(C[NH2+]CC1=CC=C(Br)S1)C(F)C(=O)[O-]	REAL300012082685	0	29	0.0	-47.47	274.53	7.16	-40.31
CCOC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC(Cl)=C1OC	REAL300012082686	0	43	0.0	-68.56	363.45	8.10	-60.46
COC1=CC=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1OC(C)C	REAL300012082687	0	46	0.0	-43.52	362.84	8.43	-35.09
CCOC1=C(Cl)C=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012082688	0	43	0.0	-69.84	365.57	8.21	-61.63
CCCOC1=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=CC=C1OCC	REAL300012082689	0	49	0.0	-42.23	386.62	9.24	-32.99
CCCCOC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OC	REAL300012082690	0	49	0.0	-51.78	388.43	9.10	-42.68
CCCOC1=C(Cl)C=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OCC	REAL300012082691	0	49	0.0	-68.20	406.80	9.86	-58.34
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082692	0	48	0.0	-60.90	397.92	10.95	-49.95
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC(F)F	REAL300012082693	0	40	0.0	-52.62	333.34	6.89	-45.73
CCOC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OC(F)F	REAL300012082694	0	43	0.0	-51.02	352.99	7.72	-43.30
CC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012082695	0	42	0.0	-64.54	340.19	8.34	-56.20
CC(C[NH2+]CC1=CSC(C2=CC=CC(Br)=C2)=N1)C(F)C(=O)[O-]	REAL300012082696	0	38	0.0	-46.43	351.37	8.80	-37.63
CC1=CC=C(C2=NN(C3=CC=C(F)C=C3)C=C2C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012082697	0	52	0.0	-51.58	425.76	12.63	-38.95
CCOC1=CC2=C(C=C1C[NH2+]CC(C)C(F)C(=O)[O-])OC(C)C2	REAL300012082698	0	47	0.0	-46.16	372.30	8.29	-37.87
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC2=C1OCCO2	REAL300012082699	0	42	0.0	-54.56	338.93	6.43	-48.13
CC(C[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1)C(F)C(=O)[O-]	REAL300012082700	0	41	0.0	-51.04	357.53	8.75	-42.29
CCCCN1N=C(C)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1Cl	REAL300012082701	0	44	0.0	-46.10	366.00	8.37	-37.73
CCOC1=CC=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1OC(F)F	REAL300012082702	0	43	0.0	-44.61	351.47	7.81	-36.80
CC(C[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1)C(F)C(=O)[O-]	REAL300012082703	0	50	0.0	-59.68	397.16	9.51	-50.17
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]CC(C)C(F)C(=O)[O-])C=C1C	REAL300012082704	0	55	0.0	-47.79	438.77	13.18	-34.61
CC1=CC=CC(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082705	0	55	0.0	-52.71	447.34	13.09	-39.62
CC(C[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1)C(F)C(=O)[O-]	REAL300012082706	0	52	0.0	-50.94	423.76	12.35	-38.59
CC(C[NH2+]CC1=CC=C(C2=CC=CC=C2)S1)C(F)C(=O)[O-]	REAL300012082707	0	39	0.0	-62.46	333.22	10.19	-52.27
CCCOC1=C(Cl)C=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012082708	0	46	0.0	-69.71	387.07	9.01	-60.70
CC1=CC=C(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012082709	0	55	0.0	-65.10	447.14	13.14	-51.96
CC(C[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C(C)(C)C)C(F)C(=O)[O-]	REAL300012082710	0	54	0.0	-47.58	413.46	11.37	-36.21
CC(C[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1C(C)(C)C)C(F)C(=O)[O-]	REAL300012082711	0	51	0.0	-58.86	406.16	11.05	-47.81
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082712	0	51	0.0	-59.57	423.65	11.13	-48.44
CC(C[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1)C(F)C(=O)[O-]	REAL300012082713	0	39	0.0	-50.53	338.00	9.40	-41.13
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082714	0	55	0.0	-65.20	433.79	9.89	-55.31
CC(C[NH2+]CC1=CN(C)N=C1C1CCCCC1)C(F)C(=O)[O-]	REAL300012082715	0	48	0.0	-48.92	369.89	8.87	-40.05
CC(C[NH2+]CC1=CN(C2=CC=CC=C2Cl)N=C1C(C)(C)C)C(F)C(=O)[O-]	REAL300012082716	0	51	0.0	-50.71	400.91	11.64	-39.07
CC(C[NH2+]CC1=NC2=C(CC(C)(C)CC2)S1)C(F)C(=O)[O-]	REAL300012082717	0	44	0.0	-44.02	349.11	8.06	-35.96
CC(C[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1)C(F)C(=O)[O-]	REAL300012082718	0	39	0.0	-47.23	336.16	7.71	-39.52
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OCC1=C(C)ON=C1C	REAL300012082719	0	52	0.0	-56.59	422.63	9.35	-47.24
CC(C[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1)C(F)C(=O)[O-]	REAL300012082720	0	39	0.0	-63.34	331.55	9.35	-53.99
CC(C[NH2+]CC1=CC(Cl)=C2OCCOC2=C1)C(F)C(=O)[O-]	REAL300012082721	0	38	0.0	-51.09	323.52	7.02	-44.07
CCCCC1=C(C[NH2+]CC(C)C(F)C(=O)[O-])C2=CC=CC=C2O1	REAL300012082722	0	47	0.0	-44.59	370.74	10.83	-33.76
CC(C[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C(F)C(=O)[O-]	REAL300012082723	0	45	0.0	-71.80	369.79	12.01	-59.79
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012082724	0	47	0.0	-52.87	395.57	9.65	-43.22
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082725	0	45	0.0	-67.58	366.75	9.56	-58.02
CC(C[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1)C(F)C(=O)[O-]	REAL300012082726	0	41	0.0	-53.62	344.13	7.89	-45.73
CC(C[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C(F)C(=O)[O-]	REAL300012082727	0	46	0.0	-48.46	389.27	11.26	-37.20
CC(C[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C(F)C(=O)[O-]	REAL300012082728	0	39	0.0	-53.90	339.79	8.09	-45.81
CC(C[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1)C(F)C(=O)[O-]	REAL300012082729	0	38	0.0	-70.00	341.81	8.01	-61.99
CC(C[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1)C(F)C(=O)[O-]	REAL300012082730	0	38	0.0	-68.69	340.86	7.81	-60.88
CC1=CC(Br)=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1OC(F)F	REAL300012082731	0	39	0.0	-46.34	341.94	8.33	-38.01
CC(C[NH2+]CC1=CC(Br)=C(Cl)S1)C(F)C(=O)[O-]	REAL300012082732	0	29	0.0	-49.97	292.95	7.71	-42.26
CC1=CC=C(SC2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012082733	0	48	0.0	-64.01	408.70	12.59	-51.42
CC(C[NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)C([N+](=O)[O-])=C1)C(F)C(=O)[O-]	REAL300012082734	0	49	0.0	-61.35	398.16	12.27	-49.08
COC1=CC=C(C2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012082735	0	45	0.0	-68.51	376.72	9.81	-58.70
CC(C[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1)C(F)C(=O)[O-]	REAL300012082736	0	39	0.0	-65.00	355.01	10.20	-54.80
CC(C[NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1)C(F)C(=O)[O-]	REAL300012082737	0	45	0.0	-61.45	385.94	11.62	-49.83
CC(C[NH2+]CC1=CC=C(OC2=CC=CC=C2Cl)C([N+](=O)[O-])=C1)C(F)C(=O)[O-]	REAL300012082738	0	45	0.0	-57.97	394.28	12.04	-45.93
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082739	0	45	0.0	-46.95	381.87	9.81	-37.14
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082740	0	45	0.0	-62.47	399.08	10.40	-52.07
CC(C[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CS1)C(F)C(=O)[O-]	REAL300012082741	0	49	0.0	-43.91	410.69	11.65	-32.26
CC(C[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1)C(F)C(=O)[O-]	REAL300012082742	0	51	0.0	-65.16	418.38	10.59	-54.57
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082743	0	42	0.0	-47.15	375.35	9.90	-37.25
CC1=NN(CC2=CC=C(Cl)C=C2)C(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082744	0	45	0.0	-49.17	400.82	10.40	-38.77
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OC(C)C	REAL300012082745	0	46	0.0	-49.94	361.18	8.06	-41.88
CCCOC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OCC	REAL300012082746	0	49	0.0	-51.76	388.78	9.24	-42.52
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082747	0	45	0.0	-48.32	388.32	9.88	-38.44
CC(C[NH2+]CC1=CC=C(Br)C(Br)=C1)C(F)C(=O)[O-]	REAL300012082748	0	32	0.0	-49.52	302.90	8.48	-41.04
CCCCCCCOC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012082749	0	54	0.0	-63.51	423.86	11.57	-51.94
CC(C[NH2+]CC(C)C(F)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012082750	0	53	0.0	-46.89	396.02	11.70	-35.19
CC(C[NH2+]CC1=C(Br)C=CS1)C(F)C(=O)[O-]	REAL300012082751	0	29	0.0	-56.97	274.68	7.05	-49.92
CC(C[NH2+]CC1=CC=CC=C1N1CCOCC1)C(F)C(=O)[O-]	REAL300012082752	0	45	0.0	-58.09	347.85	6.91	-51.18
CC(C[NH2+]CC1=CC(F)=CC=C1Br)C(F)C(=O)[O-]	REAL300012082753	0	32	0.0	-59.30	288.05	8.02	-51.28
CC1=CC=C(C2=CC=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C2)C=C1	REAL300012082754	0	45	0.0	-62.78	358.90	11.44	-51.34
COC1=CC=C(Br)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082755	0	36	0.0	-57.23	310.26	7.30	-49.93
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012082756	0	38	0.0	-61.72	318.16	8.06	-53.66
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082757	0	45	0.0	-63.34	361.43	11.50	-51.84
CC(C[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(F)C(=O)[O-]	REAL300012082758	0	38	0.0	-69.65	340.68	9.35	-60.30
CCOC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OCC	REAL300012082759	0	46	0.0	-51.96	367.29	8.44	-43.52
CC(C[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C(F)C(=O)[O-]	REAL300012082760	0	35	0.0	-51.70	314.54	8.73	-42.97
CC(C[NH2+]CC1=CC=C(F)C=C1Br)C(F)C(=O)[O-]	REAL300012082761	0	32	0.0	-49.39	287.92	8.02	-41.37
CC(C[NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C(F)C(=O)[O-]	REAL300012082762	0	36	0.0	-49.60	310.84	7.20	-42.40
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012082763	0	46	0.0	-48.47	371.26	10.39	-38.08
CC(C[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)C(F)C(=O)[O-]	REAL300012082764	0	42	0.0	-64.62	362.17	10.24	-54.38
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C2=CC=CC=C12	REAL300012082765	0	42	0.0	-46.60	331.96	8.80	-37.80
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(Br)=C1O	REAL300012082766	0	37	0.0	-44.80	318.23	5.03	-39.77
CC(C[NH2+]CC1=CSC(Br)=C1)C(F)C(=O)[O-]	REAL300012082767	0	29	0.0	-48.28	276.48	7.08	-41.20
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012082768	0	49	0.0	-55.79	400.18	8.79	-47.00
CC(C[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1)C(F)C(=O)[O-]	REAL300012082769	0	39	0.0	-49.86	362.36	11.07	-38.79
CC(C[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1)C(F)C(=O)[O-]	REAL300012082770	0	45	0.0	-46.45	384.11	9.39	-37.06
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012082771	0	50	0.0	-61.85	396.22	10.02	-51.83
CC(C[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1)C(F)C(=O)[O-]	REAL300012082772	0	42	0.0	-64.02	339.58	10.82	-53.20
CC(C[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1)C(F)C(=O)[O-]	REAL300012082773	0	45	0.0	-59.38	369.69	8.99	-50.39
CC(C[NH2+]CC1=CC=C(Br)C(F)=C1)C(F)C(=O)[O-]	REAL300012082774	0	32	0.0	-50.65	289.65	7.99	-42.66
CC(C[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)C(F)C(=O)[O-]	REAL300012082775	0	41	0.0	-50.46	336.55	9.28	-41.18
CC(C[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C(F)C(=O)[O-]	REAL300012082776	0	41	0.0	-66.11	334.59	9.06	-57.05
CC(C[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C(F)C(=O)[O-]	REAL300012082777	0	41	0.0	-66.31	332.69	9.01	-57.30
CC(C[NH2+]CC1=CC=C(N2CCN(C)CC2)C=C1)C(F)C(=O)[O-]	REAL300012082778	1	49	0.0	-62.47	374.23	6.12	-56.35
CC(C[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C(F)C(=O)[O-]	REAL300012082779	0	41	0.0	-68.80	346.34	5.91	-62.89
CC(C[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C(F)C(=O)[O-]	REAL300012082780	0	39	0.0	-69.19	330.25	8.70	-60.49
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082781	0	45	0.0	-65.86	374.96	9.94	-55.92
CC(C[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C(F)C(=O)[O-]	REAL300012082782	0	39	0.0	-68.68	340.57	9.15	-59.53
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082783	0	45	0.0	-56.23	376.21	9.75	-46.48
CC1=NN(C2=CC=C(Br)C=C2)C(C)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082784	0	45	0.0	-67.13	381.64	10.11	-57.02
CC(C[NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1)C(F)C(=O)[O-]	REAL300012082785	0	39	0.0	-44.42	366.49	9.25	-35.17
CC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012082786	0	51	0.0	-66.38	410.84	10.51	-55.87
COC1=CC=CC(COC2=CC=CC(Cl)=C2C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082787	0	50	0.0	-55.81	418.50	10.47	-45.34
CC(C[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C(F)C(=O)[O-]	REAL300012082788	0	39	0.0	-66.94	335.93	8.11	-58.83
CCOC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012082789	0	53	0.0	-51.36	425.00	11.41	-39.95
CC(C)C1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012082790	0	43	0.0	-53.66	347.72	9.82	-43.84
CC(C[NH2+]CC1=CC(Br)=C2OCOC2=C1)C(F)C(=O)[O-]	REAL300012082791	0	35	0.0	-52.04	309.99	6.60	-45.44
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082792	0	48	0.0	-51.86	387.46	10.01	-41.85
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082793	0	48	0.0	-66.26	397.25	10.33	-55.93
CCOC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OCC(C)C	REAL300012082794	0	52	0.0	-49.95	406.69	9.84	-40.11
CC(C[NH2+]CC1=CC(Br)=CC=C1F)C(F)C(=O)[O-]	REAL300012082795	0	32	0.0	-60.88	292.23	8.06	-52.82
COC1=CC(Br)=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012082796	0	40	0.0	-46.94	336.74	7.11	-39.83
CC(C[NH2+]CC1=CC=C(Br)C=C1F)C(F)C(=O)[O-]	REAL300012082797	0	32	0.0	-50.73	292.10	8.06	-42.67
COC1=CC2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C2C=C1	REAL300012082798	0	42	0.0	-67.02	340.82	8.97	-58.05
CC(C[NH2+]CC1=CC(Br)=CS1)C(F)C(=O)[O-]	REAL300012082799	0	29	0.0	-47.22	276.53	7.13	-40.09
CCCCOC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OCC	REAL300012082800	0	52	0.0	-49.81	408.09	9.94	-39.87
CC(C[NH2+]CC1=CC=C(OC2=CC=C(Cl)C=C2[N+](=O)[O-])C=C1)C(F)C(=O)[O-]	REAL300012082801	0	45	0.0	-68.07	394.37	12.03	-56.04
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082802	0	45	0.0	-66.74	360.35	9.49	-57.25
COC1=CC=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1OC(F)F	REAL300012082803	0	40	0.0	-46.23	331.68	6.98	-39.25
CCC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012082804	0	55	0.0	-65.60	443.21	13.44	-52.16
CC(C[NH2+]CC1=CC=C(CSC(F)F)O1)C(F)C(=O)[O-]	REAL300012082805	0	36	0.0	-47.60	323.58	7.91	-39.69
CC(C[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1)C(F)C(=O)[O-]	REAL300012082806	0	52	0.0	-63.13	403.00	10.71	-52.42
CC(C[NH2+]CC1=CC=C(F)C(Br)=C1)C(F)C(=O)[O-]	REAL300012082808	0	32	0.0	-51.99	291.84	8.06	-43.93
CC1=CC=C(COC2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C2)C=C1	REAL300012082809	0	49	0.0	-63.67	395.56	11.31	-52.36
CC(C[NH2+]CC1=CC=C(N2CCCCC2)C=C1)C(F)C(=O)[O-]	REAL300012082810	0	47	0.0	-60.33	355.82	8.63	-51.70
CCCCCCOC1=CC=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082811	0	51	0.0	-62.01	402.72	10.78	-51.23
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1SC	REAL300012082812	0	40	0.0	-51.57	333.74	7.75	-43.82
CC(C[NH2+]CC1=CC=CC(OCCCC#N)=C1)C(F)C(=O)[O-]	REAL300012082813	0	43	0.0	-69.15	359.10	8.96	-60.19
CCCCCOC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OC	REAL300012082814	0	52	0.0	-50.21	407.73	9.80	-40.41
CCC(C)OC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OC	REAL300012082815	0	49	0.0	-51.43	384.11	8.93	-42.50
CCCCCCCOC1=CC=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082816	0	54	0.0	-62.07	424.22	11.56	-50.51
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OCCCC#N	REAL300012082817	0	47	0.0	-59.62	387.79	8.84	-50.78
C=C(C)COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OC	REAL300012082818	0	47	0.0	-50.76	375.55	8.80	-41.96
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OCCC(C)C	REAL300012082819	0	52	0.0	-49.87	403.80	9.54	-40.33
C=CCC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC(OC)=C1O	REAL300012082820	0	44	0.0	-67.47	359.87	6.57	-60.90
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082821	0	41	0.0	-66.75	343.57	8.37	-58.38
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082822	0	42	0.0	-49.93	360.47	5.84	-44.09
CCOC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012082823	0	46	0.0	-54.03	384.66	8.82	-45.21
CC(C[NH2+]CC1=NC(C2=CC=CC=C2)=CS1)C(F)C(=O)[O-]	REAL300012082824	0	38	0.0	-50.26	328.38	8.17	-42.09
CC(C[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1)C(F)C(=O)[O-]	REAL300012082825	0	45	0.0	-51.80	358.89	6.54	-45.26
C=CCOC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1Cl	REAL300012082826	0	40	0.0	-50.53	345.12	8.76	-41.77
CC(C[NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C(F)C(=O)[O-]	REAL300012082827	0	38	0.0	-47.83	327.66	8.34	-39.49
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012082828	0	44	0.0	-44.08	351.27	7.28	-36.80
CC(C[NH2+]CC1=CSC(C2=CC=CS2)=N1)C(F)C(=O)[O-]	REAL300012082829	0	35	0.0	-44.51	319.53	7.15	-37.36
CC1=CC=CC(C2=NNC=C2C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082830	0	42	0.0	-64.12	342.59	7.94	-56.18
CC(C[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)C(F)C(=O)[O-]	REAL300012082831	0	35	0.0	-68.58	320.46	8.91	-59.67
CC(C[NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1)C(F)C(=O)[O-]	REAL300012082832	0	35	0.0	-68.59	325.03	9.02	-59.57
CC(C[NH2+]CC1=CC=C(Br)C=C1Cl)C(F)C(=O)[O-]	REAL300012082833	0	32	0.0	-49.22	299.23	8.46	-40.76
CC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(Br)=C1	REAL300012082834	0	35	0.0	-46.23	302.92	8.62	-37.61
CC(C[NH2+]CC1=CN(C(C)(C)C)N=C1C1=CC=CC=C1Cl)C(F)C(=O)[O-]	REAL300012082835	0	51	0.0	-63.83	419.24	11.14	-52.69
CC(C[NH2+]CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1)C(F)C(=O)[O-]	REAL300012082836	0	47	0.0	-51.65	393.55	11.11	-40.54
CC(C[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C(F)C(=O)[O-]	REAL300012082837	0	36	0.0	-50.54	317.92	7.44	-43.10
CC(C[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)C(F)C(=O)[O-]	REAL300012082838	0	40	0.0	-52.81	358.27	8.86	-43.95
CC(C[NH2+]CC1=C(Cl)N(C)N=C1C1=CC=CC=C1)C(F)C(=O)[O-]	REAL300012082839	0	42	0.0	-58.90	359.33	8.91	-49.99
CC(C[NH2+]CC1=CN=CC(Br)=C1)C(F)C(=O)[O-]	REAL300012082840	0	31	0.0	-50.90	280.99	6.22	-44.68
CC(C[NH2+]CC1=CC(Br)=CC2=C1OCC2)C(F)C(=O)[O-]	REAL300012082841	0	37	0.0	-58.46	320.34	7.82	-50.64
CC(C[NH2+]CC1=CN(C)N=C1C1=CC=CC=C1)C(F)C(=O)[O-]	REAL300012082842	0	42	0.0	-62.59	342.21	8.51	-54.08
CC1=C(Br)SC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082843	0	32	0.0	-46.28	294.54	7.76	-38.52
CC(C[NH2+]CC1=CC=C(Br)C2=CC=CN=C12)C(F)C(=O)[O-]	REAL300012082844	0	37	0.0	-44.69	323.23	8.43	-36.26
COC1=CC=C(OC2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C2)C=C1	REAL300012082845	0	47	0.0	-53.15	383.44	9.54	-43.61
CC1=CC(C2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C2)=CC(C)=C1	REAL300012082846	0	48	0.0	-62.97	379.91	12.09	-50.88
CC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012082847	0	41	0.0	-57.07	339.22	10.94	-46.13
CC(C[NH2+]CC1=CC=C(OCC(F)F)C=C1)C(F)C(=O)[O-]	REAL300012082848	0	39	0.0	-68.62	329.38	7.96	-60.66
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082849	0	42	0.0	-51.83	358.19	9.65	-42.18
CC(C[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)C(F)C(=O)[O-]	REAL300012082850	0	46	0.0	-49.24	382.51	10.75	-38.49
CC(C[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C(F)C(=O)[O-]	REAL300012082851	0	43	0.0	-67.00	365.60	11.52	-55.48
CC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012082852	0	42	0.0	-46.11	341.81	8.26	-37.85
CC(C[NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1)C(F)C(=O)[O-]	REAL300012082853	0	38	0.0	-48.66	355.08	9.53	-39.13
CC(C[NH2+]CC1=NC2=CC(Cl)=CC=C2N1C)C(F)C(=O)[O-]	REAL300012082854	0	38	0.0	-68.79	329.42	8.30	-60.49
CC(C[NH2+]CC1=C(Cl)C=CC=C1S(C)(=O)=O)C(F)C(=O)[O-]	REAL300012082855	0	38	0.0	-43.90	324.61	5.40	-38.50
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082856	0	41	0.0	-46.73	347.72	7.09	-39.64
CC(C)SC1=CC(Br)=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082857	0	42	0.0	-58.89	359.85	10.35	-48.54
CSC1=CC(Br)=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082858	0	36	0.0	-58.01	319.89	8.89	-49.12
CC(C[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1)C(F)C(=O)[O-]	REAL300012082859	0	42	0.0	-53.02	355.89	9.14	-43.88
CC(C[NH2+]CC1=NC2=C(CC(C)CC2)S1)C(F)C(=O)[O-]	REAL300012082860	0	41	0.0	-58.85	332.59	7.71	-51.14
CC(C[NH2+]CC1=CC=C(OC(F)F)C(Br)=C1)C(F)C(=O)[O-]	REAL300012082861	0	36	0.0	-50.33	322.31	7.57	-42.76
CC(C[NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1)C(F)C(=O)[O-]	REAL300012082862	0	45	0.0	-53.38	388.21	10.07	-43.31
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082863	0	46	0.0	-58.31	365.20	10.12	-48.19
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082864	0	46	0.0	-58.75	365.52	10.12	-48.63
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082865	0	45	0.0	-46.73	360.09	8.34	-38.39
CC(C[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl)C(F)C(=O)[O-]	REAL300012082866	0	43	0.0	-56.96	374.16	10.89	-46.07
CC(C[NH2+]CC1=CC=C(Br)C=C1N1CCOCC1)C(F)C(=O)[O-]	REAL300012082867	0	45	0.0	-47.23	370.59	7.60	-39.63
COC1=CC(Cl)=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1Cl	REAL300012082868	0	36	0.0	-47.52	322.21	7.73	-39.79
CC(C[NH2+]CC1=CN=C(C2=CC=CS2)S1)C(F)C(=O)[O-]	REAL300012082869	0	35	0.0	-48.03	319.54	7.42	-40.61
CC(C[NH2+]CC1=CN=C(C2=CSC=C2)S1)C(F)C(=O)[O-]	REAL300012082870	0	35	0.0	-63.15	319.44	7.32	-55.83
CC1=CC=C(C2=NC=C(C[NH2+]CC(C)C(F)C(=O)[O-])S2)O1	REAL300012082871	0	38	0.0	-66.45	335.08	7.34	-59.11
CC1=CC(Br)=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082872	0	35	0.0	-62.36	298.97	8.59	-53.77
CC(C[NH2+]CC1=CC=C(Cl)C(Br)=C1)C(F)C(=O)[O-]	REAL300012082873	0	32	0.0	-49.46	298.76	8.39	-41.07
CC(C[NH2+]CC1=CNN=C1C1=CC=CC=C1F)C(F)C(=O)[O-]	REAL300012082874	0	39	0.0	-51.66	328.17	7.35	-44.31
CC(C[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)C(F)C(=O)[O-]	REAL300012082875	0	41	0.0	-49.12	339.10	9.10	-40.02
CC(C[NH2+]CC1=NC=C(Br)C=C1Br)C(F)C(=O)[O-]	REAL300012082876	0	31	0.0	-41.64	297.09	6.59	-35.05
CC(C[NH2+]CC1=CC=C(Cl)C=C1Br)C(F)C(=O)[O-]	REAL300012082877	0	32	0.0	-48.77	298.25	8.46	-40.31
COC1=C(Br)C=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082878	0	36	0.0	-44.80	314.81	7.44	-37.36
CC(C[NH2+]CC1=CN(C)N=C1C1=CC=CS1)C(F)C(=O)[O-]	REAL300012082879	0	39	0.0	-44.37	331.52	7.86	-36.51
CC(C[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1)C(F)C(=O)[O-]	REAL300012082880	0	46	0.0	-44.29	374.77	10.17	-34.12
COC1=CC(Br)=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(OC)=C1	REAL300012082881	0	40	0.0	-54.60	340.73	6.56	-48.04
CC(C[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1)C(F)C(=O)[O-]	REAL300012082882	0	43	0.0	-53.11	365.82	10.63	-42.48
CC(C[NH2+]CC1=CC=C(OC2=CC=CC(Br)=C2)C=C1)C(F)C(=O)[O-]	REAL300012082883	0	43	0.0	-65.13	372.88	10.81	-54.32
CC(C[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1)C(F)C(=O)[O-]	REAL300012082884	0	47	0.0	-45.71	388.63	8.65	-37.06
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082885	0	42	0.0	-51.84	362.75	9.75	-42.09
CC(C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C(C)(C)C)C(F)C(=O)[O-]	REAL300012082886	0	51	0.0	-62.48	387.88	10.92	-51.56
CC(C[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1)C(F)C(=O)[O-]	REAL300012082887	0	39	0.0	-47.88	329.71	9.28	-38.60
CC(C[NH2+]CC1=CC=CC(Br)=C1)C(F)C(=O)[O-]	REAL300012082888	0	32	0.0	-47.88	286.13	8.02	-39.86
CC(C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1)C(F)C(=O)[O-]	REAL300012082889	0	49	0.0	-68.88	406.71	12.07	-56.81
CC(C[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1)C(F)C(=O)[O-]	REAL300012082890	0	42	0.0	-63.25	363.67	9.50	-53.75
CC(C[NH2+]CC1=CC=C(Br)C=C1)C(F)C(=O)[O-]	REAL300012082891	0	32	0.0	-65.33	286.30	8.04	-57.29
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC(OC)=C1OC	REAL300012082892	0	44	0.0	-53.73	354.96	6.44	-47.29
CC(C[NH2+]CC1=CC=C(N2CCOCC2)C=C1)C(F)C(=O)[O-]	REAL300012082893	0	45	0.0	-63.60	349.01	6.25	-57.35
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012082894	0	53	0.0	-61.18	415.06	12.54	-48.64
CC(C)CCOC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012082895	0	48	0.0	-62.20	374.81	9.68	-52.52
CCCCCCOC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012082896	0	51	0.0	-62.09	400.24	10.72	-51.37
CC(C[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1)C(F)C(=O)[O-]	REAL300012082897	0	43	0.0	-51.43	355.24	10.31	-41.12
CCCOC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(OCCC)=C1	REAL300012082898	0	52	0.0	-58.74	409.32	9.53	-49.21
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(OC)=C1OC	REAL300012082899	0	44	0.0	-64.59	357.30	6.61	-57.98
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012082900	0	50	0.0	-52.94	405.34	10.58	-42.36
COC1=CC=C(Br)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082901	0	36	0.0	-59.08	314.81	7.38	-51.70
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC(Br)=C1O	REAL300012082902	0	37	0.0	-69.48	325.67	5.19	-64.29
CC(C[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1)C(F)C(=O)[O-]	REAL300012082903	0	42	0.0	-63.99	339.22	10.83	-53.16
COC1=C(C[NH2+]CC(C)C(F)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012082904	0	42	0.0	-57.21	335.75	8.89	-48.32
COC1=CC(OC)=C(OC)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082905	0	44	0.0	-61.57	350.08	5.91	-55.66
CC(C[NH2+]CC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1)C(F)C(=O)[O-]	REAL300012082906	0	54	0.0	-51.21	437.90	14.56	-36.65
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082907	0	42	0.0	-61.76	356.25	9.33	-52.43
CC(C[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1)C(F)C(=O)[O-]	REAL300012082908	0	46	0.0	-46.65	373.90	10.60	-36.05
CC(C[NH2+]CC1=CC=CC=C1Br)C(F)C(=O)[O-]	REAL300012082909	0	32	0.0	-41.60	280.68	7.99	-33.61
CC(C[NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1)C(F)C(=O)[O-]	REAL300012082910	0	39	0.0	-68.72	345.13	9.25	-59.47
CC(C[NH2+]CC1=CC=CC=C1I)C(F)C(=O)[O-]	REAL300012082911	0	32	0.0	-39.05	283.80	8.36	-30.69
CC(C[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F)C(F)C(=O)[O-]	REAL300012082912	0	40	0.0	-64.76	340.00	6.56	-58.20
CC(C[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1)C(F)C(=O)[O-]	REAL300012082913	0	49	0.0	-60.82	387.84	10.65	-50.17
CC(C[NH2+]CC1=CC=C(N(C)CCC#N)C=C1)C(F)C(=O)[O-]	REAL300012082914	0	44	0.0	-64.30	356.76	9.21	-55.09
CC(C[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21)C(F)C(=O)[O-]	REAL300012082915	0	42	0.0	-61.36	345.49	9.16	-52.20
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OCC(N)=O	REAL300012082916	0	44	0.0	-62.83	362.16	4.56	-58.27
CCNC(=O)COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012082917	0	50	0.0	-59.54	403.38	6.76	-52.78
COC1=CC2=C(C=C1C[NH2+]CC(C)C(F)C(=O)[O-])OC(C)C2	REAL300012082918	0	44	0.0	-46.50	350.40	7.37	-39.13
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012082919	0	48	0.0	-63.29	395.72	4.36	-58.93
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012082920	0	44	0.0	-78.70	382.30	5.23	-73.47
CCN(C(C)=O)C1=NC(C[NH2+]CC(C)C(F)C(=O)[O-])=CS1	REAL300012082921	0	41	0.0	-47.89	341.88	7.17	-40.72
CC(C[NH2+]CC1=CC=CC(I)=C1)C(F)C(=O)[O-]	REAL300012082922	0	32	0.0	-47.68	292.61	8.50	-39.18
CC(C[NH2+]CC1=CC=C(I)C=C1)C(F)C(=O)[O-]	REAL300012082923	0	32	0.0	-65.10	292.78	8.52	-56.58
CC(C[NH2+]CC1=CC(Br)=CC(Br)=C1)C(F)C(=O)[O-]	REAL300012082924	0	32	0.0	-66.26	307.60	8.64	-57.62
CC(C[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1)C(F)C(=O)[O-]	REAL300012082925	0	42	0.0	-55.53	360.28	8.25	-47.28
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082926	0	45	0.0	-55.16	352.46	11.17	-43.99
CC(C[NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)C(F)C(=O)[O-]	REAL300012082927	0	38	0.0	-72.25	323.57	4.87	-67.38
CC(C[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C(F)C(=O)[O-]	REAL300012082928	0	42	0.0	-49.11	353.99	11.26	-37.85
CC(C[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C(F)C(=O)[O-]	REAL300012082929	0	45	0.0	-50.06	368.86	8.99	-41.07
CC(C[NH2+]CC1=CC=C(Br)C=N1)C(F)C(=O)[O-]	REAL300012082930	0	31	0.0	-63.25	281.66	6.19	-57.06
CC(C[NH2+]CC1=CN=C(N2CCOCC2)S1)C(F)C(=O)[O-]	REAL300012082931	0	41	0.0	-65.09	339.05	4.73	-60.36
CC(=O)N(C1=NC(C[NH2+]CC(C)C(F)C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300012082932	0	45	0.0	-47.32	388.34	9.67	-37.65
CC1=CC=CN2C=C(COC3=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C3)N=C12	REAL300012082933	0	52	0.0	-68.58	421.48	11.75	-56.83
CCOCC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OC	REAL300012082934	0	46	0.0	-47.42	366.22	7.53	-39.89
CC(C[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1)C(F)C(=O)[O-]	REAL300012082935	0	41	0.0	-65.55	355.90	6.88	-58.67
CC(C[NH2+]CC1=CC(C(F)(F)F)=CC=C1Br)C(F)C(=O)[O-]	REAL300012082936	0	35	0.0	-46.50	318.98	8.99	-37.51
CC(C[NH2+]CC1=CC=C(Br)C=C1C(F)(F)F)C(F)C(=O)[O-]	REAL300012082937	0	35	0.0	-65.07	314.84	9.09	-55.98
CC(C[NH2+]CC1=C(F)C=CC=C1Br)C(F)C(=O)[O-]	REAL300012082938	0	32	0.0	-41.69	286.44	7.84	-33.85
CC(C[NH2+]CC1=CSC=C1Br)C(F)C(=O)[O-]	REAL300012082939	0	29	0.0	-56.15	271.17	6.87	-49.28
CC(C[NH2+]CC1=CC(F)=CC(Br)=C1)C(F)C(=O)[O-]	REAL300012082940	0	32	0.0	-67.22	292.71	8.10	-59.12
CC(C[NH2+]CC1=CC=CC(F)=C1Br)C(F)C(=O)[O-]	REAL300012082941	0	32	0.0	-60.83	285.27	7.94	-52.89
CC(C[NH2+]CC1=CC=CC(Br)=C1F)C(F)C(=O)[O-]	REAL300012082942	0	32	0.0	-62.54	289.44	7.99	-54.55
CC(C[NH2+]CC1=CSC(Cl)=C1Cl)C(F)C(=O)[O-]	REAL300012082943	0	29	0.0	-60.95	284.25	7.35	-53.60
CC(C[NH2+]CC1=CN=C(C(F)(F)F)S1)C(F)C(=O)[O-]	REAL300012082944	0	31	0.0	-53.45	290.90	5.82	-47.63
CC(C[NH2+]CC1=CC=CC(S(C)(=O)=O)=C1)C(F)C(=O)[O-]	REAL300012082945	0	38	0.0	-53.43	323.33	4.84	-48.59
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082946	0	42	0.0	-59.53	337.10	8.99	-50.54
CC1=NC=C(C[NH2+]CC(C)C(F)C(=O)[O-])N1C1=CC=CC=C1	REAL300012082947	0	42	0.0	-46.57	343.87	9.67	-36.90
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC2=CC=CC=C21	REAL300012082948	0	42	0.0	-66.04	339.47	9.02	-57.02
COC1=CC=CC2=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=CC=C12	REAL300012082949	0	42	0.0	-46.62	331.98	8.80	-37.82
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082950	0	42	0.0	-61.52	337.12	9.20	-52.32
CC(C[NH2+]CC1=NC=C(C(F)(F)F)S1)C(F)C(=O)[O-]	REAL300012082951	0	31	0.0	-63.82	288.24	5.66	-58.16
CC(C[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C(F)C(=O)[O-]	REAL300012082952	0	39	0.0	-51.36	326.98	5.63	-45.73
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(Br)=C1	REAL300012082953	0	36	0.0	-48.74	311.00	7.24	-41.50
CC1=C(Br)C=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1Br	REAL300012082954	0	35	0.0	-65.68	322.59	9.11	-56.57
CC1=CC(Br)=C(C[NH2+]CC(C)C(F)C(=O)[O-])S1	REAL300012082955	0	32	0.0	-42.03	296.39	7.85	-34.18
CC(C[NH2+]CC1=CC=CC(C(=O)OC(C)(C)C)=C1)C(F)C(=O)[O-]	REAL300012082956	0	47	0.0	-49.68	374.53	10.11	-39.57
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082957	0	42	0.0	-50.86	352.04	10.04	-40.82
CC(C[NH2+]CC1=CC=C2C(=C1)CCC(=O)N2C)C(F)C(=O)[O-]	REAL300012082958	0	43	0.0	-71.57	342.08	8.34	-63.23
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082959	0	47	0.0	-46.74	388.66	10.64	-36.10
CC1=CC=C(OC(F)F)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082960	0	39	0.0	-60.49	322.59	7.66	-52.83
CC(C[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1)C(F)C(=O)[O-]	REAL300012082961	0	38	0.0	-64.15	345.03	8.90	-55.25
CC(C[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1)C(F)C(=O)[O-]	REAL300012082962	0	38	0.0	-51.38	334.37	8.66	-42.72
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082963	0	49	0.0	-59.33	390.97	10.91	-48.42
CC(C[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1)C(F)C(=O)[O-]	REAL300012082964	0	43	0.0	-44.41	363.23	9.78	-34.63
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012082965	0	47	0.0	-56.98	389.82	7.69	-49.29
CC(C[NH2+]CC1=CC=NC2=C(Br)C=CC=C12)C(F)C(=O)[O-]	REAL300012082966	0	37	0.0	-71.26	320.18	8.35	-62.91
CC(C[NH2+]CC1=CN=C(C2CCCC2)S1)C(F)C(=O)[O-]	REAL300012082967	0	41	0.0	-62.56	337.28	8.05	-54.51
CC(C[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1)C(F)C(=O)[O-]	REAL300012082968	0	38	0.0	-66.01	338.56	8.66	-57.35
CC(C[NH2+]CC1=CC=C(Br)C(Cl)=C1)C(F)C(=O)[O-]	REAL300012082969	0	32	0.0	-49.62	298.76	8.39	-41.23
CC(C[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1)C(F)C(=O)[O-]	REAL300012082970	0	44	0.0	-63.35	372.87	9.88	-53.47
CC(C[NH2+]CC1=CC=C(OC(F)(F)F)C(Br)=C1)C(F)C(=O)[O-]	REAL300012082971	0	36	0.0	-50.53	329.05	7.78	-42.75
CC(C[NH2+]CC1=CC=C(C2=CN(C)N=C2)C=C1)C(F)C(=O)[O-]	REAL300012082972	0	42	0.0	-66.99	345.13	8.72	-58.27
CC(C[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1)C(F)C(=O)[O-]	REAL300012082973	0	43	0.0	-65.57	357.99	10.26	-55.31
CC(C[NH2+]CC1=CN(C)N=C1C1=CC=C(F)C=C1)C(F)C(=O)[O-]	REAL300012082974	0	42	0.0	-65.61	348.63	8.58	-57.03
CC(C[NH2+]CC1=CN(C)N=C1C1=CC=C(C#N)C=C1)C(F)C(=O)[O-]	REAL300012082975	0	43	0.0	-71.76	365.17	8.98	-62.78
CC(C[NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)N=C1)C(F)C(=O)[O-]	REAL300012082976	0	46	0.0	-68.04	371.26	9.78	-58.26
CC(C[NH2+]CC1=CN=C(C2CCCO2)S1)C(F)C(=O)[O-]	REAL300012082977	0	39	0.0	-65.06	327.34	5.57	-59.49
CC1=CC=CC=C1N1C=C(C[NH2+]CC(C)C(F)C(=O)[O-])N=N1	REAL300012082978	0	41	0.0	-65.80	332.09	7.92	-57.88
CC(C[NH2+]CC1=CC(Br)=NN1C)C(F)C(=O)[O-]	REAL300012082979	0	32	0.0	-50.56	284.98	5.39	-45.17
CC(C[NH2+]CC1=CC=C(C2=CN(C)N=C2)S1)C(F)C(=O)[O-]	REAL300012082980	0	39	0.0	-65.49	339.32	8.10	-57.39
CC(C[NH2+]CC1=CC=C2OCCCCOC2=C1)C(F)C(=O)[O-]	REAL300012082981	0	44	0.0	-51.70	343.90	8.29	-43.41
CCOC1=C(Cl)C=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082982	0	39	0.0	-42.93	330.09	8.20	-34.73
CC(C[NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C(F)C(=O)[O-]	REAL300012082983	0	32	0.0	-52.28	297.73	8.39	-43.89
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012082984	0	43	0.0	-64.73	350.59	7.80	-56.93
CC(C[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F)C(F)C(=O)[O-]	REAL300012082985	0	36	0.0	-56.79	314.98	7.30	-49.49
CC(C[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1)C(F)C(=O)[O-]	REAL300012082986	0	39	0.0	-47.29	325.68	8.30	-38.99
CC(C[NH2+]CC1=CC=C(C2=CC=CC=C2Br)C=C1)C(F)C(=O)[O-]	REAL300012082987	0	42	0.0	-49.35	361.86	11.46	-37.89
CC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012082988	0	45	0.0	-43.85	361.12	9.17	-34.68
CC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012082989	0	45	0.0	-59.05	356.67	8.84	-50.21
CC(C[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)C(F)C(=O)[O-]	REAL300012082990	0	42	0.0	-68.76	360.43	9.56	-59.20
CC1=CC(Br)=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1Cl	REAL300012082991	0	35	0.0	-43.24	313.50	9.00	-34.24
CC(C[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1)C(F)C(=O)[O-]	REAL300012082992	0	42	0.0	-46.41	362.39	9.30	-37.11
CC(C[NH2+]CC1=CN(CCC#N)N=C1C1=CC=NC=C1)C(F)C(=O)[O-]	REAL300012082993	0	45	0.0	-73.87	381.76	8.20	-65.67
CC(C[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1)C(F)C(=O)[O-]	REAL300012082994	0	38	0.0	-46.79	324.14	10.94	-35.85
COC(=O)C1=C(C)N(C)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012082995	0	42	0.0	-70.59	343.05	7.93	-62.66
COCCOCC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012082996	0	46	0.0	-64.94	375.55	7.38	-57.56
CC1=C(C[NH2+]CC(C)C(F)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012082997	0	38	0.0	-45.52	333.56	9.88	-35.64
CC(C[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1)C(F)C(=O)[O-]	REAL300012082998	0	46	0.0	-69.03	388.79	9.82	-59.21
CC(C[NH2+]CC1=CC=C(F)C=C1I)C(F)C(=O)[O-]	REAL300012082999	0	32	0.0	-48.72	293.25	8.47	-40.25
CC(C[NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C(F)C(=O)[O-]	REAL300012083000	0	35	0.0	-71.43	302.49	6.45	-64.98
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CC(C)C(F)C(=O)[O-])O1	REAL300012083001	0	42	0.0	-60.39	347.31	7.77	-52.62
CC(C[NH2+]CC1=CC(Br)=CN=C1Cl)C(F)C(=O)[O-]	REAL300012083002	0	31	0.0	-48.96	293.08	6.64	-42.32
CC(C[NH2+]CC1=CC(OC(F)F)=CC=C1Br)C(F)C(=O)[O-]	REAL300012083003	0	36	0.0	-60.67	320.02	7.57	-53.10
CC1=CC=C(C2=NC=C(C[NH2+]CC(C)C(F)C(=O)[O-])S2)C=C1C	REAL300012083004	0	44	0.0	-49.47	368.22	9.63	-39.84
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083005	0	42	0.0	-55.22	345.93	9.29	-45.93
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083006	0	42	0.0	-53.90	359.45	10.04	-43.86
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083007	0	42	0.0	-54.31	355.82	9.90	-44.41
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083008	0	45	0.0	-50.96	362.86	9.81	-41.15
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083009	0	42	0.0	-49.67	362.82	9.76	-39.91
COC1=CC(OC)=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1F	REAL300012083010	0	40	0.0	-63.42	329.18	6.14	-57.28
COC1=CC(F)=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012083011	0	40	0.0	-48.91	325.84	6.57	-42.34
CC(C[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1)C(F)C(=O)[O-]	REAL300012083012	0	46	0.0	-47.73	384.03	10.84	-36.89
CC(C[NH2+]CC1=CC=CC(Br)=C1SC(C)(C)C)C(F)C(=O)[O-]	REAL300012083013	0	45	0.0	-58.97	366.04	10.48	-48.49
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083014	0	45	0.0	-52.66	365.17	9.88	-42.78
CC(C[NH2+]CC1=CC2=CC(Br)=CC=C2O1)C(F)C(=O)[O-]	REAL300012083015	0	35	0.0	-51.11	314.00	8.54	-42.57
CC(C[NH2+]CC1=CC=CC(F)=C1OC(F)F)C(F)C(=O)[O-]	REAL300012083016	0	36	0.0	-47.64	309.04	7.12	-40.52
CC(C[NH2+]CC1=CC(F)=CC=C1OC(F)F)C(F)C(=O)[O-]	REAL300012083017	0	36	0.0	-63.02	307.57	7.06	-55.96
CC(C[NH2+]CC1=CN(C)N=C1C1=CN(C)N=C1)C(F)C(=O)[O-]	REAL300012083018	0	42	0.0	-48.42	348.08	6.39	-42.03
CC(C[NH2+]CC1=CC=C2CCN(C(=O)OC(C)(C)C)CC2=C1)C(F)C(=O)[O-]	REAL300012083019	0	56	0.0	-66.83	429.18	10.54	-56.29
CC(C[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1)C(F)C(=O)[O-]	REAL300012083020	0	38	0.0	-48.31	344.39	8.86	-39.45
CC(C[NH2+]CC1=CC=C(F)C(F)=C1N(C)C)C(F)C(=O)[O-]	REAL300012083021	0	40	0.0	-65.01	322.93	7.42	-57.59
CC(C[NH2+]CC1=CNN=C1C1=CC=C(Br)S1)C(F)C(=O)[O-]	REAL300012083022	0	36	0.0	-62.27	330.78	7.29	-54.98
CC(C)OC1=CC(Cl)=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1Cl	REAL300012083023	0	42	0.0	-43.98	360.61	9.16	-34.82
CC(C[NH2+]CC1=CC=C(OC2CCOC2)C=C1)C(F)C(=O)[O-]	REAL300012083024	0	44	0.0	-65.92	350.34	7.06	-58.86
CC(C[NH2+]CC1=CC(F)=C(N(C)C)C=C1F)C(F)C(=O)[O-]	REAL300012083025	0	40	0.0	-47.81	328.04	6.91	-40.90
COC(=O)C1=C2CCCCN2C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012083026	0	46	0.0	-71.06	367.06	9.15	-61.91
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012083027	0	39	0.0	-65.50	331.10	7.64	-57.86
C=CCOC1=C(Cl)C=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012083028	0	44	0.0	-68.84	376.35	8.71	-60.13
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC1CC1	REAL300012083029	0	44	0.0	-68.75	355.15	8.28	-60.47
CC(C[NH2+]CC1=CC(Cl)=CC=C1I)C(F)C(=O)[O-]	REAL300012083030	0	32	0.0	-57.31	303.71	8.91	-48.40
COCC(C)OC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012083031	0	46	0.0	-64.22	364.46	7.55	-56.67
CC(C[NH2+]CC1=CN(C)N=C1CN1C(=O)C2=CC=CC=C2C1=O)C(F)C(=O)[O-]	REAL300012083032	0	49	0.0	-54.95	405.40	8.27	-46.68
CC(C[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F)C(F)C(=O)[O-]	REAL300012083033	0	46	0.0	-61.56	382.92	10.94	-50.62
CC(C[NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C(F)C(=O)[O-]	REAL300012083034	0	39	0.0	-64.57	332.37	10.04	-54.53
CC(C[NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C(F)C(=O)[O-]	REAL300012083035	0	45	0.0	-51.12	364.34	9.70	-41.42
CC(C[NH2+]CC1=CC(C(F)(F)F)=C(Br)C=C1F)C(F)C(=O)[O-]	REAL300012083036	0	35	0.0	-66.47	325.36	8.96	-57.51
CC(C[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F)C(F)C(=O)[O-]	REAL300012083037	0	39	0.0	-47.88	342.04	8.25	-39.63
CC(C[NH2+]CC1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1)C(F)C(=O)[O-]	REAL300012083038	0	41	0.0	-66.63	355.36	9.73	-56.90
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1C(C)(C)C	REAL300012083039	0	48	0.0	-62.86	366.04	9.40	-53.46
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083040	0	40	0.0	-54.18	336.09	6.57	-47.61
CC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=NC=C1Br	REAL300012083041	0	34	0.0	-46.45	300.04	6.76	-39.69
CC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C(Br)C=C1F	REAL300012083042	0	35	0.0	-59.58	305.40	8.65	-50.93
CC(C[NH2+]CC1=C(O)C=CC=C1Br)C(F)C(=O)[O-]	REAL300012083043	0	33	0.0	-56.05	290.65	5.04	-51.01
CC(C[NH2+]CC1=CSC(C2=CN(C)N=C2)=N1)C(F)C(=O)[O-]	REAL300012083044	0	38	0.0	-63.62	332.39	5.93	-57.69
CC(C[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C(F)C(=O)[O-]	REAL300012083045	0	38	0.0	-54.92	321.96	7.22	-47.70
CC(C[NH2+]CC1=CC=CC=C1CC(F)(F)F)C(F)C(=O)[O-]	REAL300012083046	0	38	0.0	-49.21	314.42	8.98	-40.23
CC(C[NH2+]CC1=CN(C)N=C1Br)C(F)C(=O)[O-]	REAL300012083047	0	32	0.0	-45.50	286.51	5.61	-39.89
CC(C[NH2+]CC1=NC=C(Br)C=C1F)C(F)C(=O)[O-]	REAL300012083048	0	31	0.0	-45.25	286.49	6.20	-39.05
COC1=CC(Cl)=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC	REAL300012083049	0	40	0.0	-47.51	333.17	7.00	-40.51
CC(C[NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C(F)C(=O)[O-]	REAL300012083050	0	38	0.0	-64.02	326.01	9.21	-54.81
CC(C[NH2+]CC1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C(F)C(=O)[O-]	REAL300012083051	0	52	0.0	-49.90	410.54	7.77	-42.13
CCOC(=O)C1=C(C)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C(C)N1	REAL300012083052	0	45	0.0	-66.45	365.43	7.79	-58.66
CC(C[NH2+]CC1=C(F)C=CC(C(F)(F)F)=C1Br)C(F)C(=O)[O-]	REAL300012083053	0	35	0.0	-44.32	322.42	8.80	-35.52
CC(C[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1)C(F)C(=O)[O-]	REAL300012083054	0	42	0.0	-50.21	355.67	11.29	-38.92
CC1=CC(Br)=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1Br	REAL300012083055	0	35	0.0	-44.81	319.74	9.17	-35.64
CC(C[NH2+]CC1=CC=C(Br)C(F)=C1F)C(F)C(=O)[O-]	REAL300012083056	0	32	0.0	-52.70	294.06	8.04	-44.66
CC(C[NH2+]CC1=C(Br)SC=C1)C(F)C(=O)[O-]	REAL300012083057	0	29	0.0	-57.96	272.95	7.07	-50.89
CCOC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C(F)C=C1OC	REAL300012083058	0	43	0.0	-48.87	347.70	7.49	-41.38
COC1=NC=C(Br)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083059	0	35	0.0	-45.51	311.89	4.78	-40.73
CC(C[NH2+]CC1=CC=CN=C1Br)C(F)C(=O)[O-]	REAL300012083060	0	31	0.0	-61.10	273.40	6.04	-55.06
CC(C[NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O)C(F)C(=O)[O-]	REAL300012083061	0	46	0.0	-66.14	384.43	7.05	-59.09
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C(F)C=C1Br	REAL300012083062	0	36	0.0	-51.12	319.23	7.41	-43.71
CC(C[NH2+]CC1=CC=CC(Br)=C1Cl)C(F)C(=O)[O-]	REAL300012083063	0	32	0.0	-60.68	295.37	8.36	-52.32
CC(C[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F)C(F)C(=O)[O-]	REAL300012083064	0	36	0.0	-46.54	315.90	7.34	-39.20
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083065	0	42	0.0	-44.47	339.14	8.38	-36.09
CC(C[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1)C(F)C(=O)[O-]	REAL300012083066	0	46	0.0	-73.67	361.06	8.42	-65.25
CC(C[NH2+]CC1=CC=C(OC(F)F)C=C1F)C(F)C(=O)[O-]	REAL300012083067	0	36	0.0	-49.27	307.87	6.93	-42.34
CC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(C)=C1Br	REAL300012083068	0	38	0.0	-46.48	315.93	9.11	-37.37
CC1=CC=NC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1Br	REAL300012083069	0	34	0.0	-41.78	294.69	6.58	-35.20
CC(C[NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)C=C1)C(F)C(=O)[O-]	REAL300012083070	0	49	0.0	-66.09	386.81	7.67	-58.42
CC(C[NH2+]CC1=CN(C)N=C1C1=CC(F)=CC=C1F)C(F)C(=O)[O-]	REAL300012083071	0	42	0.0	-52.94	357.50	8.72	-44.22
CC(C[NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1)C(F)C(=O)[O-]	REAL300012083074	0	42	0.0	-64.16	370.76	9.08	-55.08
CC(C[NH2+]CC1=C2CSCCC2=NN1C)C(F)C(=O)[O-]	REAL300012083075	0	40	0.0	-50.27	327.48	6.99	-43.28
CCN1C=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012083076	0	45	0.0	-45.31	363.90	9.37	-35.94
COCC1=C(C)C=C(C)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1C	REAL300012083077	0	48	0.0	-44.84	364.16	8.54	-36.30
CC1=CC(OC2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300012083078	0	46	0.0	-50.00	392.86	11.39	-38.61
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(Cl)=C1	REAL300012083079	0	49	0.0	-45.88	409.15	12.25	-33.63
CC(C[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1)C(F)C(=O)[O-]	REAL300012083080	0	43	0.0	-47.33	373.05	10.75	-36.58
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083081	0	46	0.0	-44.71	392.26	11.41	-33.30
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1F	REAL300012083082	0	46	0.0	-64.15	395.85	11.49	-52.66
CC(C[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(F)=C1)C(F)C(=O)[O-]	REAL300012083083	0	43	0.0	-63.22	381.66	10.90	-52.32
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083084	0	46	0.0	-44.83	386.29	11.36	-33.47
CC(C[NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1)C(F)C(=O)[O-]	REAL300012083085	0	43	0.0	-61.52	375.83	10.86	-50.66
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083086	0	49	0.0	-57.08	407.57	12.10	-44.98
CC1=C(Br)C=C(C[NH2+]CC(C)C(F)C(=O)[O-])S1	REAL300012083087	0	32	0.0	-47.44	297.81	7.90	-39.54
CC(C[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C(F)C(=O)[O-]	REAL300012083088	0	42	0.0	-64.32	354.22	11.28	-53.04
CC(C[NH2+]CC1=CC=CC(F)=C1I)C(F)C(=O)[O-]	REAL300012083089	0	32	0.0	-60.72	292.51	8.44	-52.28
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012083090	0	50	0.0	-50.69	402.77	10.13	-40.56
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012083091	0	46	0.0	-67.49	375.37	8.34	-59.15
CC1=CC=C(Br)C(F)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083092	0	35	0.0	-47.74	304.70	8.50	-39.24
CCC1=CC(OC2=CC=C(F)C=C2C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1Cl	REAL300012083093	0	49	0.0	-61.27	414.22	12.16	-49.11
CC(C[NH2+]CC1=CC=CC=C1OC1=CC=C(Cl)C(Cl)=C1)C(F)C(=O)[O-]	REAL300012083094	0	43	0.0	-46.62	382.37	11.16	-35.46
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+]CC(C)C(F)C(=O)[O-])C(C)=C1	REAL300012083095	0	49	0.0	-50.26	410.89	12.14	-38.12
COC1=CC=C(CN2C=C(C[NH2+]CC(C)C(F)C(=O)[O-])N=N2)C=C1	REAL300012083096	0	45	0.0	-69.44	370.94	7.00	-62.44
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(F)=C1OC	REAL300012083097	0	40	0.0	-48.96	332.87	6.74	-42.22
COC(=O)C1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(F)=C1	REAL300012083098	0	38	0.0	-56.28	325.57	8.09	-48.19
CC(C[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)C(F)C(=O)[O-]	REAL300012083099	0	42	0.0	-64.08	349.92	7.73	-56.35
CC(C[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1)C(F)C(=O)[O-]	REAL300012083100	0	46	0.0	-48.28	373.91	10.60	-37.68
CC(C[NH2+]CC1=CC=CC=C1OCC(F)F)C(F)C(=O)[O-]	REAL300012083101	0	39	0.0	-58.73	327.96	8.04	-50.69
CC(C[NH2+]CC1=CC(Br)=C(Br)S1)C(F)C(=O)[O-]	REAL300012083102	0	29	0.0	-49.89	297.30	7.81	-42.08
CC(C[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C(Cl)=C1)C(F)C(=O)[O-]	REAL300012083103	0	43	0.0	-62.13	379.60	10.83	-51.30
CC(C[NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1)C(F)C(=O)[O-]	REAL300012083104	0	43	0.0	-48.02	373.12	10.54	-37.48
CC(C[NH2+]CC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1)C(F)C(=O)[O-]	REAL300012083105	0	43	0.0	-45.69	384.90	11.22	-34.47
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083106	0	50	0.0	-55.54	402.55	10.83	-44.71
CC(C[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1)C(F)C(=O)[O-]	REAL300012083107	0	43	0.0	-44.83	372.40	10.69	-34.14
CC(C[NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC(Cl)=C1)C(F)C(=O)[O-]	REAL300012083108	0	43	0.0	-57.30	382.83	11.18	-46.12
CC(C[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C=C1Cl)C(F)C(=O)[O-]	REAL300012083109	0	43	0.0	-45.63	380.29	10.88	-34.75
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012083110	0	47	0.0	-46.26	398.02	11.28	-34.98
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083111	0	48	0.0	-48.97	379.88	10.38	-38.59
CC(C[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1)C(F)C(=O)[O-]	REAL300012083112	0	38	0.0	-61.44	344.46	8.65	-52.79
COC1=CC=C(C2=NC(C[NH2+]CC(C)C(F)C(=O)[O-])=CS2)C=C1	REAL300012083113	0	42	0.0	-62.86	359.29	7.52	-55.34
CC(C[NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)C(F)C(=O)[O-]	REAL300012083115	0	40	0.0	-59.86	342.14	4.01	-55.85
CC(C[NH2+]CC(C)(C)CN(C)CC1=CC=CC=C1)C(F)C(=O)[O-]	REAL300012083116	1	52	0.0	-60.39	386.77	9.52	-50.87
CC(C[NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1)C(F)C(=O)[O-]	REAL300012083117	0	46	0.0	-53.63	391.91	10.71	-42.92
CC1=NN2C(=NC(C)=C2C[NH2+]CC(C)C(F)C(=O)[O-])S1	REAL300012083118	0	37	0.0	-64.89	320.61	6.61	-58.28
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CC(C)C(F)C(=O)[O-])S1	REAL300012083119	0	43	0.0	-47.61	361.15	7.87	-39.74
CC(C[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C(F)C(=O)[O-]	REAL300012083120	0	37	0.0	-40.99	316.39	8.25	-32.74
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012083121	0	49	0.0	-62.72	399.22	8.28	-54.44
CC(C[NH2+]CC1=NC2=CC=C(Br)C=C2S1)C(F)C(=O)[O-]	REAL300012083122	0	34	0.0	-46.89	317.80	7.46	-39.43
CC(C[NH2+]CC1=CC=C(N(C)C)C=C1C(F)(F)F)C(F)C(=O)[O-]	REAL300012083123	0	43	0.0	-61.45	344.21	8.88	-52.57
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083124	0	42	0.0	-61.50	345.53	9.98	-51.52
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083125	0	41	0.0	-64.89	355.23	9.00	-55.89
CC(C[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1)C(F)C(=O)[O-]	REAL300012083126	0	51	0.0	-49.73	401.00	10.75	-38.98
CC(C[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21)C(F)C(=O)[O-]	REAL300012083127	0	35	0.0	-67.52	323.18	8.70	-58.82
CC(C[NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1)C(F)C(=O)[O-]	REAL300012083128	0	38	0.0	-69.96	334.39	7.91	-62.05
CC(C[NH2+]CC1=CN2C=CC(Br)=CC2=N1)C(F)C(=O)[O-]	REAL300012083129	0	35	0.0	-48.26	313.52	8.53	-39.73
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083130	0	43	0.0	-65.07	352.01	8.81	-56.26
CC(C[NH2+]CC1=CC(I)=CC([N+](=O)[O-])=C1)C(F)C(=O)[O-]	REAL300012083131	0	34	0.0	-74.73	321.00	9.18	-65.55
COCC1=CC=CC=C1C=C(C)C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083132	0	46	0.0	-63.82	362.38	8.98	-54.84
CC(C[NH2+]CC1=CC=CC=C1C1=CC=NN1C)C(F)C(=O)[O-]	REAL300012083133	0	42	0.0	-48.97	335.40	8.15	-40.82
CC(C[NH2+]CC1=CON=C1CC1=CC=CC=C1)C(F)C(=O)[O-]	REAL300012083134	0	41	0.0	-52.61	338.46	9.06	-43.55
COC1=CC=C(N2C=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=N2)C=C1	REAL300012083135	0	43	0.0	-67.89	351.20	7.86	-60.03
CC(C[NH2+]CC1=CC=C(N(C)CC2=CC=CS2)C=C1)C(F)C(=O)[O-]	REAL300012083136	0	47	0.0	-59.86	384.77	10.76	-49.10
CC(C[NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C(F)C(=O)[O-]	REAL300012083137	0	34	0.0	-53.36	302.05	5.30	-48.06
CC(C[NH2+]CC1=CC=C(N2CCCCC2)C(Br)=C1)C(F)C(=O)[O-]	REAL300012083138	0	47	0.0	-48.70	380.17	9.78	-38.92
CC(C[NH2+]CC1=CC=NC=C1Br)C(F)C(=O)[O-]	REAL300012083139	0	31	0.0	-61.80	275.82	6.22	-55.58
CC(C[NH2+]CC1=CC=C(S(C)(=O)=O)S1)C(F)C(=O)[O-]	REAL300012083140	0	35	0.0	-57.35	317.92	4.09	-53.26
CC(C[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1)C(F)C(=O)[O-]	REAL300012083141	0	52	0.0	-44.42	406.07	11.29	-33.13
CC(C[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1F)C(F)C(=O)[O-]	REAL300012083142	0	37	0.0	-55.29	323.99	2.40	-52.89
CC1=C(Br)C=NC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083143	0	34	0.0	-48.48	291.84	6.61	-41.87
COC1=CC=C(C2=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300012083144	0	48	0.0	-74.28	399.28	6.44	-67.84
CC(C[NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21)C(F)C(=O)[O-]	REAL300012083145	0	46	0.0	-53.87	383.85	10.53	-43.34
CC(C[NH2+]CC1=CN(CC2CCOC2)N=N1)C(F)C(=O)[O-]	REAL300012083146	0	42	0.0	-55.72	337.10	4.77	-50.95
CC(C[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C(F)C(=O)[O-]	REAL300012083147	0	52	0.0	-65.19	405.03	6.27	-58.92
CC(C[NH2+]CC(CC(F)F)NC(=O)OC(C)(C)C)C(F)C(=O)[O-]	REAL300012083148	0	48	0.0	-55.49	375.07	6.24	-49.25
CC(C[NH2+]CC1=CN(CC2CCCO2)N=N1)C(F)C(=O)[O-]	REAL300012083149	0	42	0.0	-65.72	338.28	4.94	-60.78
CC(C[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1)C(F)C(=O)[O-]	REAL300012083150	0	37	0.0	-72.89	317.12	2.30	-70.59
CC(C[NH2+]CC1=CSC(C2=NN(C)C=C2)=N1)C(F)C(=O)[O-]	REAL300012083151	0	38	0.0	-65.19	332.50	5.81	-59.38
CC1=CC=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1Br	REAL300012083152	0	35	0.0	-56.15	297.77	8.47	-47.68
CC(C[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1)C(F)C(=O)[O-]	REAL300012083153	0	43	0.0	-50.36	359.96	10.32	-40.04
CC(C[NH2+]CC1=CC=CC=C1N1CCCCC1)C(F)C(=O)[O-]	REAL300012083154	0	47	0.0	-41.90	358.86	9.44	-32.46
CC(C[NH2+]CC1=CSC(C(F)(F)F)=N1)C(F)C(=O)[O-]	REAL300012083155	0	31	0.0	-48.57	290.88	5.51	-43.06
CC(C[NH2+]CC1=CC(Br)=CC=C1Br)C(F)C(=O)[O-]	REAL300012083156	0	32	0.0	-57.49	300.86	8.51	-48.98
CC1=C(Cl)C=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1Cl	REAL300012083157	0	35	0.0	-60.12	308.78	8.80	-51.32
CC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C(C)C=C1I	REAL300012083158	0	38	0.0	-45.86	322.77	9.56	-36.30
CC(C[NH2+]CC1=CC(C#N)=CC=C1Br)C(F)C(=O)[O-]	REAL300012083159	0	33	0.0	-64.23	301.58	8.39	-55.84
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083160	0	45	0.0	-57.55	365.15	8.90	-48.65
COC(=O)COC1=CC=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083161	0	42	0.0	-59.63	349.45	8.38	-51.25
COC1=CC=C2SC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC2=C1	REAL300012083162	0	39	0.0	-63.18	329.82	8.18	-55.00
CCN(CC)C(=O)C1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012083163	0	48	0.0	-71.01	375.14	9.12	-61.89
CCN(C)C(=O)C1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012083164	0	45	0.0	-73.42	357.88	8.28	-65.14
CSC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1Cl	REAL300012083165	0	36	0.0	-50.49	320.06	8.87	-41.62
CC1=NN(C2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(C)=C2)C=C1	REAL300012083166	0	45	0.0	-69.50	360.70	9.74	-59.76
CC(C[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(F)C(=O)[O-]	REAL300012083167	0	38	0.0	-67.79	336.22	9.29	-58.50
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083168	0	42	0.0	-68.13	355.37	9.73	-58.40
CCC1=CC(Br)=C(C[NH2+]CC(C)C(F)C(=O)[O-])S1	REAL300012083169	0	35	0.0	-40.60	315.67	8.54	-32.06
CC1=NN(C2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C2)C=C1Cl	REAL300012083170	0	42	0.0	-52.42	359.97	9.61	-42.81
COC(=O)C1=CC2=C(C=C(C[NH2+]CC(C)C(F)C(=O)[O-])O2)N1	REAL300012083171	0	39	0.0	-71.21	333.95	6.21	-65.00
CC(C[NH2+]CC(C)(C)C1=CC=C(Br)C=C1)C(F)C(=O)[O-]	REAL300012083172	0	41	0.0	-48.43	332.00	9.65	-38.78
CC(C[NH2+]CC1=CC(Cl)=CC(Br)=C1)C(F)C(=O)[O-]	REAL300012083173	0	32	0.0	-66.21	303.03	8.53	-57.68
CC1=CC=C(C2=CC=CC=C2C[NH2+]CC(C)C(F)C(=O)[O-])C(C)=C1	REAL300012083174	0	48	0.0	-41.18	375.33	11.88	-29.30
CC(C[NH2+]CC1=CC=C(N2CCN(C(=O)OC(C)(C)C)CC2)O1)C(F)C(=O)[O-]	REAL300012083175	0	58	0.0	-65.30	444.68	7.34	-57.96
COC1=CC=CC(C2=CSC(C[NH2+]CC(C)C(F)C(=O)[O-])=N2)=C1	REAL300012083176	0	42	0.0	-64.35	357.59	7.49	-56.86
CC(C[NH2+]CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C(F)C(=O)[O-]	REAL300012083177	0	52	0.0	-65.85	410.78	7.80	-58.05
COC(=O)C1=C2COCCN2C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012083178	0	44	0.0	-71.61	356.67	6.73	-64.88
CC(C[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1)C(F)C(=O)[O-]	REAL300012083179	0	49	0.0	-72.92	379.82	9.35	-63.57
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083180	0	42	0.0	-69.51	336.37	10.33	-59.18
CC(C[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C(F)C(=O)[O-]	REAL300012083181	0	35	0.0	-52.01	324.86	9.16	-42.85
CC(C[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1)C(F)C(=O)[O-]	REAL300012083182	0	36	0.0	-62.10	321.61	6.32	-55.78
CC(C[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1Br)C(F)C(=O)[O-]	REAL300012083183	0	37	0.0	-52.63	334.89	2.94	-49.69
CC(C[NH2+]CC1=CN=C(C2CCOCC2)O1)C(F)C(=O)[O-]	REAL300012083184	0	42	0.0	-66.71	337.28	3.88	-62.83
CC(C[NH2+]CC1=C(Cl)C=CC=C1Br)C(F)C(=O)[O-]	REAL300012083185	0	32	0.0	-40.49	295.18	8.23	-32.26
CC(C[NH2+]CC1=CC=C(F)C(Br)=C1F)C(F)C(=O)[O-]	REAL300012083186	0	32	0.0	-52.42	293.47	8.02	-44.40
CC(C[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1)C(F)C(=O)[O-]	REAL300012083187	0	41	0.0	-68.44	343.52	7.76	-60.68
CC(C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C(F)C(=O)[O-]	REAL300012083188	0	52	0.0	-69.43	388.74	8.43	-61.00
CC1=CC(Br)=CN=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083189	0	34	0.0	-48.27	297.38	6.74	-41.53
CC(C[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C(F)C(=O)[O-]	REAL300012083190	0	38	0.0	-53.66	338.71	5.32	-48.34
CC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OC(F)F	REAL300012083191	0	39	0.0	-47.91	321.97	7.65	-40.26
CC1=NC(Cl)=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1Br	REAL300012083192	0	34	0.0	-46.88	309.29	7.08	-39.80
CC(C[NH2+]CC1=C(S(C)(=O)=O)N(C)N=C1)C(F)C(=O)[O-]	REAL300012083193	0	38	0.0	-66.00	315.34	2.70	-63.30
CCOC1=CC(Br)=CC(F)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083194	0	39	0.0	-55.45	339.51	8.28	-47.17
CC(C[NH2+]CC1=C(S(C)(=O)=O)SC=C1)C(F)C(=O)[O-]	REAL300012083195	0	35	0.0	-53.99	308.54	4.40	-49.59
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C2)O1	REAL300012083196	0	49	0.0	-70.33	413.89	9.62	-60.71
CC1=C(Br)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C(C)S1	REAL300012083197	0	35	0.0	-43.71	312.73	8.32	-35.39
CC(C[NH2+]CC1=CN(C)N=C1C1=CC=CC(F)=C1)C(F)C(=O)[O-]	REAL300012083198	0	42	0.0	-47.61	350.82	8.63	-38.98
CC(C[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C(F)C(=O)[O-]	REAL300012083199	0	36	0.0	-49.12	314.61	7.14	-41.98
CC(C[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(F)C(=O)[O-]	REAL300012083200	0	38	0.0	-49.78	336.03	9.28	-40.50
CC1=NC=CN1C1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(C)=C1	REAL300012083201	0	45	0.0	-69.33	358.07	10.36	-58.97
CC1=C(C)N(C2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C2)C=N1	REAL300012083202	0	45	0.0	-71.89	362.73	11.03	-60.86
CC(C[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C(F)C(=O)[O-]	REAL300012083203	0	46	0.0	-46.95	359.79	11.43	-35.52
CC(C[NH2+]CC1=CC(C2=CC=CC=C2)=NN1C)C(F)C(=O)[O-]	REAL300012083204	0	42	0.0	-70.39	345.44	8.53	-61.86
CC(C[NH2+]CC1=CC2=C(Br)C=CC=C2S1)C(F)C(=O)[O-]	REAL300012083205	0	35	0.0	-46.61	320.88	9.44	-37.17
CC(C[NH2+]CC1=CN(C)N=C1C1=CC=CC=C1Br)C(F)C(=O)[O-]	REAL300012083206	0	42	0.0	-48.06	361.14	9.15	-38.91
CC(C[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C(F)C(=O)[O-]	REAL300012083207	0	42	0.0	-44.69	337.59	9.43	-35.26
CC(C[NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1)C(F)C(=O)[O-]	REAL300012083208	0	39	0.0	-67.66	342.27	7.89	-59.77
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083209	0	45	0.0	-71.59	380.13	10.14	-61.45
CCOC1=CC=C(Cl)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083210	0	39	0.0	-57.35	330.01	8.15	-49.20
CC(C[NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1)C(F)C(=O)[O-]	REAL300012083211	0	39	0.0	-47.19	340.75	7.81	-39.38
CC(C[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)C(F)C(=O)[O-]	REAL300012083212	0	39	0.0	-68.81	327.37	7.34	-61.47
CC(C[NH2+]CC1=C(Br)C=CC=C1Br)C(F)C(=O)[O-]	REAL300012083213	0	32	0.0	-51.59	299.45	8.34	-43.25
CC(C[NH2+]CC1=C(Br)C=CC=C1OC(F)F)C(F)C(=O)[O-]	REAL300012083214	0	36	0.0	-55.13	318.89	7.47	-47.66
CC(C[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1)C(F)C(=O)[O-]	REAL300012083215	0	39	0.0	-50.20	339.10	8.88	-41.32
CC(C[NH2+]CC1=C(F)C=C(Br)C=C1F)C(F)C(=O)[O-]	REAL300012083216	0	32	0.0	-58.87	297.29	8.08	-50.79
COC1=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012083217	0	48	0.0	-42.54	358.22	9.13	-33.41
CC(C[NH2+]CC1=NC(Br)=CN1C)C(F)C(=O)[O-]	REAL300012083218	0	32	0.0	-52.80	284.42	6.19	-46.61
CC(C[NH2+]CC1=CC(C(C)(C)OCC2=CC=CC=C2)=CC=C1F)C(F)C(=O)[O-]	REAL300012083219	0	55	0.0	-56.91	433.50	12.18	-44.73
CC(C[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C(F)C(=O)[O-]	REAL300012083220	0	38	0.0	-65.71	320.03	6.48	-59.23
CC(C[NH2+]CC1=CC2=CC=CC=C2N(C)C1=O)C(F)C(=O)[O-]	REAL300012083221	0	41	0.0	-62.17	329.76	8.13	-54.04
CC1=CC(C)=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(C)=C1Br	REAL300012083222	0	41	0.0	-61.90	334.82	9.56	-52.34
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012083223	0	42	0.0	-67.33	359.08	8.12	-59.21
CC(C[NH2+]CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C(F)C(=O)[O-]	REAL300012083224	0	49	0.0	-51.72	384.44	7.56	-44.16
CC(C[NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C(F)C(=O)[O-]	REAL300012083225	0	38	0.0	-66.44	325.81	8.12	-58.32
CCCN1N=C(C)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1Cl	REAL300012083226	0	41	0.0	-46.17	344.51	7.59	-38.58
COC1=CC=C(Br)C(F)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083227	0	36	0.0	-46.01	318.89	7.40	-38.61
CC(C[NH2+]CC1=C(F)C=C(C(F)(F)F)C=C1Br)C(F)C(=O)[O-]	REAL300012083228	0	35	0.0	-58.81	327.13	8.93	-49.88
CC(C[NH2+]CC1=C(F)C=C(C#N)C=C1Br)C(F)C(=O)[O-]	REAL300012083229	0	33	0.0	-62.46	309.19	8.32	-54.14
CC(C[NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C(F)C(=O)[O-]	REAL300012083230	0	39	0.0	-62.38	328.45	9.77	-52.61
CC(C[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C(F)C(=O)[O-]	REAL300012083231	0	38	0.0	-46.63	320.31	9.95	-36.68
CC(C[NH2+]CC1=CC=C(Cl)C(Br)=C1F)C(F)C(=O)[O-]	REAL300012083232	0	32	0.0	-53.23	304.79	8.51	-44.72
CC(C[NH2+]CC1=CC=CC=C1OC1CCCCC1)C(F)C(=O)[O-]	REAL300012083233	0	49	0.0	-45.26	374.79	10.24	-35.02
CC(C[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(F)C(=O)[O-]	REAL300012083234	0	43	0.0	-65.18	368.31	10.71	-54.47
CC(C[NH2+]CC1=CC=CC=C1COC1CCCCC1)C(F)C(=O)[O-]	REAL300012083235	0	52	0.0	-45.28	393.19	10.85	-34.43
CC(C[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1)C(F)C(=O)[O-]	REAL300012083236	0	46	0.0	-47.91	389.64	11.20	-36.71
COC1=CC=CC(OC2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C2)=C1	REAL300012083237	0	47	0.0	-69.49	383.20	9.56	-59.93
CCN1CCCC2=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C21	REAL300012083238	0	47	0.0	-61.32	354.30	8.43	-52.89
COCC1=CN=C(OC)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012083239	0	42	0.0	-47.54	344.72	3.95	-43.59
CC(C[NH2+]CC1=C(Br)N(C)N=C1)C(F)C(=O)[O-]	REAL300012083240	0	32	0.0	-46.17	285.81	5.54	-40.63
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012083241	0	47	0.0	-66.63	384.30	10.20	-56.43
COC1=C(Br)C=CC(F)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083242	0	36	0.0	-43.66	319.99	7.46	-36.20
CC(C[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1)C(F)C(=O)[O-]	REAL300012083243	0	45	0.0	-48.64	372.18	12.04	-36.60
CC(C[NH2+]CC1=C(Br)C=CC=C1OC(F)(F)F)C(F)C(=O)[O-]	REAL300012083244	0	36	0.0	-54.82	327.76	7.76	-47.06
CC(C[NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C(F)C(=O)[O-]	REAL300012083245	0	36	0.0	-50.11	321.23	8.86	-41.25
CC(C[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C(F)C(=O)[O-]	REAL300012083246	0	46	0.0	-47.10	390.64	11.12	-35.98
CC(C[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C(F)C(=O)[O-]	REAL300012083247	0	45	0.0	-49.72	356.26	8.00	-41.72
CC(C[NH2+]CC1=CC=C(Br)C=C1OC(F)F)C(F)C(=O)[O-]	REAL300012083248	0	36	0.0	-65.79	324.20	7.69	-58.10
CC1=C(C[NH2+]CC(C)C(F)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012083249	0	38	0.0	-63.07	323.43	9.48	-53.59
COC1=CC=C(F)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1OC	REAL300012083250	0	40	0.0	-43.99	330.24	6.73	-37.26
COC1=CC(OC)=C(C[NH2+]CC(C)C(F)C(=O)[O-])C2=NC(Cl)=CC=C12	REAL300012083251	0	45	0.0	-40.53	375.76	7.02	-33.51
CC1=CC=C(F)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1Br	REAL300012083252	0	35	0.0	-40.47	304.23	8.41	-32.06
CC(C[NH2+]CC1=CC=CC=C1OCCC1CCCCC1)C(F)C(=O)[O-]	REAL300012083253	0	55	0.0	-55.29	415.03	11.65	-43.64
CC(C[NH2+]CC1=CC=CC(OCC2CCC2)=C1)C(F)C(=O)[O-]	REAL300012083254	0	46	0.0	-46.74	364.42	9.76	-36.98
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OCCO	REAL300012083255	0	44	0.0	-54.69	356.80	4.44	-50.25
COC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1OCCO	REAL300012083256	0	44	0.0	-54.34	356.80	4.44	-49.90
CC(C[NH2+]CC1=CN(C)N=C1C1=CC=NN1C)C(F)C(=O)[O-]	REAL300012083257	0	42	0.0	-47.90	347.72	6.28	-41.62
COC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012083258	0	51	0.0	-55.12	402.51	8.03	-47.09
CC(C[NH2+]CC1=CC=CC(F)=C1C(F)(F)F)C(F)C(=O)[O-]	REAL300012083259	0	35	0.0	-55.52	298.63	8.50	-47.02
CC(C[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F)C(F)C(=O)[O-]	REAL300012083260	0	39	0.0	-56.82	337.79	8.12	-48.70
CC(C[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1)C(F)C(=O)[O-]	REAL300012083261	0	41	0.0	-68.23	362.33	9.16	-59.07
CC(C[NH2+]CC1=C(Br)C=CC2=C1OCO2)C(F)C(=O)[O-]	REAL300012083262	0	35	0.0	-44.16	309.34	6.54	-37.62
CC(C[NH2+]CC1=C(S(C)(=O)=O)C=CS1)C(F)C(=O)[O-]	REAL300012083263	0	35	0.0	-67.60	307.06	4.05	-63.55
CC(C[NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C(F)C(=O)[O-]	REAL300012083264	0	35	0.0	-51.19	307.35	8.36	-42.83
CC(C)OC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1F	REAL300012083265	0	42	0.0	-50.29	338.16	8.25	-42.04
CC(C[NH2+]CC1=CC(S(C)(=O)=O)=CS1)C(F)C(=O)[O-]	REAL300012083266	0	35	0.0	-68.91	315.51	3.96	-64.95
CC(C[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1)C(F)C(=O)[O-]	REAL300012083267	0	39	0.0	-50.45	338.61	9.06	-41.39
CC(C[NH2+]CC1=C(Br)C=C(C(F)(F)F)S1)C(F)C(=O)[O-]	REAL300012083268	0	32	0.0	-45.83	315.15	8.24	-37.59
CC(C[NH2+]CC1=CC=C(Br)C=C1OC1CC1)C(F)C(=O)[O-]	REAL300012083269	0	40	0.0	-48.00	345.65	9.06	-38.94
CC(C[NH2+]CC1=CC([N+](=O)[O-])=CC=C1N(C)C)C(F)C(=O)[O-]	REAL300012083270	0	42	0.0	-49.46	343.33	7.98	-41.48
CC(C[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F)C(F)C(=O)[O-]	REAL300012083271	0	35	0.0	-53.18	304.14	8.80	-44.38
CC(C[NH2+]CC1=C(F)C=CC(Br)=C1Cl)C(F)C(=O)[O-]	REAL300012083272	0	32	0.0	-44.78	303.58	8.39	-36.39
CC(C[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C(F)C(=O)[O-]	REAL300012083273	0	39	0.0	-51.02	328.29	8.61	-42.41
COC1=NC(C)=C(C[NH2+]CC(C)C(F)C(=O)[O-])C(C)=C1Cl	REAL300012083274	0	41	0.0	-68.23	339.79	5.63	-62.60
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083275	0	41	0.0	-66.17	340.28	7.74	-58.43
CC1=NN(C2CCCCC2)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083276	0	48	0.0	-49.75	369.54	9.05	-40.70
CC1=NN(C2CCOCC2)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083277	0	46	0.0	-63.22	357.90	6.58	-56.64
CC(C[NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C(F)C(=O)[O-]	REAL300012083278	0	37	0.0	-44.90	324.14	8.45	-36.45
CC(C[NH2+]CC1=CC(S(N)(=O)=O)=CS1)C(F)C(=O)[O-]	REAL300012083279	0	34	0.0	-70.49	311.17	1.42	-69.07
CC(C[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1)C(F)C(=O)[O-]	REAL300012083280	0	47	0.0	-73.85	369.72	6.86	-66.99
CC1=CC(Br)=C(F)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1	REAL300012083281	0	35	0.0	-45.75	311.75	8.71	-37.04
CC(C[NH2+]CC1=CC=C(Br)C(Cl)=C1F)C(F)C(=O)[O-]	REAL300012083282	0	32	0.0	-51.42	302.75	8.44	-42.98
COC1=CC=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1Br	REAL300012083283	0	36	0.0	-58.50	308.17	7.24	-51.26
CC(C[NH2+]CC1=CC=CC(C2=CN(C)N=C2)=C1)C(F)C(=O)[O-]	REAL300012083284	0	42	0.0	-65.19	343.40	8.65	-56.54
COC1=CC(F)=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1Br	REAL300012083285	0	36	0.0	-47.20	317.08	7.33	-39.87
CC(C[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)C(F)C(=O)[O-]	REAL300012083286	0	42	0.0	-82.60	351.93	9.82	-72.78
CC1=CC=C(Br)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083287	0	35	0.0	-46.02	298.77	8.55	-37.47
COC1=NC2=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C2S1	REAL300012083288	0	38	0.0	-68.66	327.30	5.16	-63.50
CC(C[NH2+]CC1=CC=NC(Br)=C1)C(F)C(=O)[O-]	REAL300012083289	0	31	0.0	-51.08	278.98	6.05	-45.03
CC(C[NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C(F)C(=O)[O-]	REAL300012083290	0	32	0.0	-45.49	298.65	8.40	-37.09
CC(C[NH2+]CC1=CC=CC(OCC(C)(C)C)=C1)C(F)C(=O)[O-]	REAL300012083291	0	48	0.0	-44.93	374.43	9.66	-35.27
CC(C[NH2+]CC1=CC(Br)=CC(Cl)=C1F)C(F)C(=O)[O-]	REAL300012083292	0	32	0.0	-45.40	305.04	8.48	-36.92
CC(C[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C(F)C(=O)[O-]	REAL300012083293	0	35	0.0	-69.62	316.94	8.75	-60.87
COC(=O)C1=C(C)NC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1C	REAL300012083294	0	42	0.0	-70.79	348.69	7.10	-63.69
CC(C[NH2+]CC1=CC=C2CN(C(=O)OC(C)(C)C)CCC2=C1)C(F)C(=O)[O-]	REAL300012083295	0	56	0.0	-66.38	429.17	10.55	-55.83
CC1=CC(Br)=CC(C)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083296	0	38	0.0	-61.86	317.73	9.02	-52.84
CC(C[NH2+]CC1=C(O)C=CC(F)=C1Br)C(F)C(=O)[O-]	REAL300012083297	0	33	0.0	-45.40	296.10	5.05	-40.35
CC(C[NH2+]CC1=C(Cl)C=CC2=C1OCO2)C(F)C(=O)[O-]	REAL300012083298	0	35	0.0	-44.86	305.31	6.47	-38.39
CC(C[NH2+]CC1=CC=C(C2CCCCC2)C=C1)C(F)C(=O)[O-]	REAL300012083299	0	48	0.0	-59.29	364.74	11.16	-48.13
CC1=C(C[NH2+]CC(C)C(F)C(=O)[O-])SC(Br)=C1	REAL300012083300	0	32	0.0	-46.00	293.06	7.73	-38.27
CC(C[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C(F)C(=O)[O-]	REAL300012083301	0	40	0.0	-69.46	334.19	7.76	-61.70
CCCN1N=C(C)C(Cl)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083302	0	41	0.0	-61.45	341.00	7.67	-53.78
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083303	0	44	0.0	-52.94	362.97	9.49	-43.45
CC(C[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C(F)C(=O)[O-]	REAL300012083304	0	45	0.0	-60.92	365.68	11.81	-49.11
CC(C[NH2+]CC1=CC(Cl)=CC(Cl)=C1Br)C(F)C(=O)[O-]	REAL300012083305	0	32	0.0	-44.05	312.20	8.93	-35.12
CCCCC(=O)NC1=CC=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=C1	REAL300012083306	0	48	0.0	-67.17	384.40	8.68	-58.49
CC(C[NH2+]CC1=CSC(Br)=C1Br)C(F)C(=O)[O-]	REAL300012083307	0	29	0.0	-60.10	292.02	7.54	-52.56
CC(C[NH2+]CC1=CC=CC(Br)=C1Br)C(F)C(=O)[O-]	REAL300012083308	0	32	0.0	-60.08	298.52	8.44	-51.64
CC(C[NH2+]CC1=CC(Cl)=CN=C1Br)C(F)C(=O)[O-]	REAL300012083309	0	31	0.0	-48.43	292.12	6.59	-41.84
CC(C[NH2+]CC1=C(Cl)C(Cl)=CS1)C(F)C(=O)[O-]	REAL300012083310	0	29	0.0	-59.85	284.73	7.39	-52.46
CC(C[NH2+]CC1=CN(C(C)(C)C)N=C1C(C)(C)C)C(F)C(=O)[O-]	REAL300012083311	0	53	0.0	-60.15	392.78	9.59	-50.56
CC(C[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C(F)C(=O)[O-]	REAL300012083312	0	36	0.0	-50.68	324.66	7.67	-43.01
CC(C[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C(F)C(=O)[O-]	REAL300012083313	0	42	0.0	-66.20	351.85	10.18	-56.02
CC(C[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C(F)C(=O)[O-]	REAL300012083314	0	41	0.0	-51.10	332.46	8.99	-42.11
CC(C[NH2+]CC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1)C(F)C(=O)[O-]	REAL300012083315	0	54	0.0	-48.24	423.77	12.31	-35.93
CC1=CC=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=C1C(F)(F)F	REAL300012083316	0	38	0.0	-49.14	307.52	8.93	-40.21
CC(C[NH2+]CC1=CC=C(C(F)(F)F)C=C1Br)C(F)C(=O)[O-]	REAL300012083317	0	35	0.0	-49.31	318.08	8.87	-40.44
CC(C[NH2+]CC1=CC2=NC=C(Br)C=C2O1)C(F)C(=O)[O-]	REAL300012083318	0	34	0.0	-52.71	308.78	6.71	-46.00
CC(C[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1)C(F)C(=O)[O-]	REAL300012083319	0	37	0.0	-66.03	330.75	7.77	-58.26
CC(C[NH2+]CC1=CC2=C(CCOC2)N=C1Cl)C(F)C(=O)[O-]	REAL300012083320	0	39	0.0	-64.57	326.29	6.07	-58.50
CC(C[NH2+]CC1=CC2=CC(Br)=CC=C2S1)C(F)C(=O)[O-]	REAL300012083321	0	35	0.0	-64.40	323.66	9.57	-54.83
CC(C[NH2+]CC1=NC=C(CC2=CC=CC=C2)N1C)C(F)C(=O)[O-]	REAL300012083322	0	45	0.0	-47.28	364.71	9.93	-37.35
CC(C[NH2+]CC1=CC=C(Br)C=C1Br)C(F)C(=O)[O-]	REAL300012083323	0	32	0.0	-48.81	302.82	8.57	-40.24
CC(C[NH2+]CC1=CC(Br)=CC(F)=C1F)C(F)C(=O)[O-]	REAL300012083324	0	32	0.0	-47.48	297.33	8.12	-39.36
CC(C[NH2+]CC1=CC(Cl)=C(Br)C=C1F)C(F)C(=O)[O-]	REAL300012083325	0	32	0.0	-48.04	303.30	8.44	-39.60
CC(C[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C(F)C(=O)[O-]	REAL300012083326	0	34	0.0	-75.13	314.52	8.70	-66.43
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083327	0	39	0.0	-66.64	325.86	9.32	-57.32
COC1=C(C[NH2+]CC(C)C(F)C(=O)[O-])C=CC(Br)=C1F	REAL300012083328	0	36	0.0	-46.95	319.01	7.38	-39.57
CC(C[NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C(F)C(=O)[O-]	REAL300012083329	0	35	0.0	-65.36	306.75	8.38	-56.98
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083330	0	50	0.0	-47.90	388.23	8.98	-38.92
CC(C[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C(F)C(=O)[O-]	REAL300012083331	0	38	0.0	-65.76	327.43	10.12	-55.64
CC(C[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C(F)C(=O)[O-]	REAL300012083332	0	45	0.0	-49.41	352.83	4.41	-45.00
CC(C[NH2+]CC1=CC=C(CN2C=C(Br)C=N2)C=C1)C(F)C(=O)[O-]	REAL300012083333	0	42	0.0	-52.37	370.70	9.67	-42.70
CC(C[NH2+]CC1=C(F)C=C(I)C=C1F)C(F)C(=O)[O-]	REAL300012083334	0	32	0.0	-57.72	301.69	8.50	-49.22
COC1=CC=C(OC)C(OC)=C1C[NH2+]CC(C)C(F)C(=O)[O-]	REAL300012083335	0	44	0.0	-41.37	350.88	5.95	-35.42
CC(C[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1)C(F)C(=O)[O-]	REAL300012083336	0	49	0.0	-50.79	374.42	9.23	-41.56
CC(C[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F)C(F)C(=O)[O-]	REAL300012083337	0	46	0.0	-60.61	378.68	10.93	-49.68
CC1=CC(C[NH2+]CC(C)C(F)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012083338	0	41	0.0	-53.57	334.20	8.65	-44.92
COC1=CC=C(Br)C(C[NH2+]CC(C)C(F)C(=O)[O-])=C1O	REAL300012083339	0	37	0.0	-45.40	321.81	5.07	-40.33
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OCC1=CC=CC=C1	REAL300012083340	0	55	0.0	-39.01	428.41	12.14	-26.87
CC(C)(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083341	0	49	0.0	-32.66	364.10	11.29	-21.37
O=C([O-])C([NH2+]CC1=CC=C(Br)O1)C1CC=CCC1	REAL300012083342	0	34	0.0	-37.09	286.56	7.69	-29.40
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OCC1=CC=C(F)C=C1	REAL300012083343	0	55	0.0	-40.09	434.82	12.21	-27.88
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=C2)C=C1	REAL300012083344	0	55	0.0	-39.14	426.45	10.20	-28.94
O=C([O-])C([NH2+]CC1=CC(NC(=O)C2=CC=CC=C2Cl)=CC=C1)C1CC=CCC1	REAL300012083345	0	51	0.0	-40.57	412.51	11.48	-29.09
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083346	0	47	0.0	-36.95	366.35	10.76	-26.19
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OC(F)F	REAL300012083347	0	45	0.0	-38.90	356.40	8.45	-30.45
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1)C1CC=CCC1	REAL300012083348	0	44	0.0	-36.81	364.50	11.30	-25.51
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC(Br)=C1OC	REAL300012083349	0	48	0.0	-38.68	390.65	9.79	-28.89
CCOC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC	REAL300012083350	0	48	0.0	-37.34	387.83	9.70	-27.64
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OC	REAL300012083351	0	48	0.0	-36.20	368.50	9.09	-27.11
CCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083352	0	53	0.0	-34.23	401.63	11.50	-22.73
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C1CC=CCC1	REAL300012083353	0	46	0.0	-47.00	372.63	11.38	-35.62
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1)C1CC=CCC1	REAL300012083354	0	46	0.0	-43.25	374.21	11.48	-31.77
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1Br	REAL300012083355	0	41	0.0	-37.24	334.88	8.85	-28.39
CCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC	REAL300012083356	0	54	0.0	-36.06	408.56	10.58	-25.48
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC	REAL300012083357	0	51	0.0	-35.89	390.00	9.89	-26.00
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC	REAL300012083358	0	49	0.0	-35.02	378.47	9.58	-25.44
CCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC	REAL300012083359	0	60	0.0	-35.89	451.56	12.14	-23.75
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1)C1CC=CCC1	REAL300012083360	0	44	0.0	-36.79	359.94	11.20	-25.59
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CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083405	0	47	0.0	-36.20	357.18	9.82	-26.38
CC1=CC=C(C2=NC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CS2)C=C1	REAL300012083406	0	46	0.0	-37.52	370.36	10.29	-27.23
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O=C([O-])C([NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1)C1CC=CCC1	REAL300012083410	0	47	0.0	-39.85	399.10	9.71	-30.14
CC1=CC=C(OCC2=NC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CS2)C=C1	REAL300012083411	0	50	0.0	-38.53	400.80	9.77	-28.76
COC1=CC=C(OCC2=NC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CS2)C=C1	REAL300012083412	0	51	0.0	-39.66	408.89	8.38	-31.28
CC(C)(C)C1=NC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CS1	REAL300012083413	1	45	0.0	-35.77	350.82	8.37	-27.40
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CC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)S2)C=C1	REAL300012083416	0	47	0.0	-35.43	373.36	12.28	-23.15
COC1=CC(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C=C2)=CC(OC)=C1	REAL300012083417	0	56	0.0	-37.43	434.86	10.48	-26.95
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083418	0	41	0.0	-29.58	348.06	9.35	-20.23
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O=C([O-])C([NH2+]CC1=CC(Cl)=CC=C1Br)C1CC=CCC1	REAL300012083420	0	37	0.0	-29.29	314.17	9.82	-19.47
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CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC	REAL300012083422	0	52	0.0	-37.84	397.83	8.89	-28.95
O=C([O-])C([NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1)C1CC=CCC1	REAL300012083423	0	57	0.0	-37.86	442.16	13.80	-24.06
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OC1=CC=CN=C1	REAL300012083424	0	50	0.0	-35.78	388.10	10.57	-25.21
CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)S2)C=C1	REAL300012083425	0	46	0.0	-34.15	369.39	10.50	-23.65
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1CC=CCC1	REAL300012083426	0	42	0.0	-29.36	340.58	9.86	-19.50
O=C([O-])C([NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)C1CC=CCC1	REAL300012083427	0	44	0.0	-38.91	357.69	10.85	-28.06
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)O1	REAL300012083428	0	47	0.0	-37.98	372.97	11.55	-26.43
CCC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)O2)C=C1	REAL300012083429	0	50	0.0	-37.76	388.91	12.24	-25.52
COC1=CC=C2OC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CC2=C1	REAL300012083430	0	44	0.0	-37.54	340.32	8.61	-28.93
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O=C([O-])C([NH2+]CC1=CC=C(OC2=CC=CC=C2)O1)C1CC=CCC1	REAL300012083432	0	45	0.0	-37.00	349.73	10.55	-26.45
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1Br	REAL300012083433	0	40	0.0	-34.54	324.46	10.07	-24.47
O=C([O-])C([NH2+]CC=CC1=CC=C(F)C=C1F)C1CC=CCC1	REAL300012083434	0	41	0.0	-36.63	328.77	10.32	-26.31
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1Br	REAL300012083435	0	40	0.0	-32.95	324.46	10.07	-22.88
O=C([O-])C([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C1CC=CCC1	REAL300012083436	0	44	0.0	-38.47	341.85	9.91	-28.56
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O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1CC=CCC1	REAL300012083439	0	41	0.0	-36.80	324.14	8.91	-27.89
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC2=CC=CN=C12	REAL300012083440	0	45	0.0	-34.71	346.21	10.09	-24.62
O=C([O-])C([NH2+]CC1=CN=C2C=CSC2=C1)C1CC=CCC1	REAL300012083441	0	39	0.0	-36.77	317.65	8.40	-28.37
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)O2)C=C1	REAL300012083442	0	56	0.0	-37.54	422.14	13.14	-24.40
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C=C2C)=C1	REAL300012083443	0	60	0.0	-35.47	462.23	14.51	-20.96
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1C	REAL300012083444	0	60	0.0	-33.95	454.50	14.39	-19.56
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083445	0	55	0.0	-35.35	420.62	13.68	-21.67
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1F	REAL300012083446	0	51	0.0	-33.56	388.37	10.14	-23.42
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C(SC)C=C1OC	REAL300012083447	0	49	0.0	-34.46	380.72	9.08	-25.38
COC1=CC=C2N=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)SC2=C1	REAL300012083448	0	43	0.0	-32.19	349.59	7.78	-24.41
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083449	0	43	0.0	-40.28	351.92	9.84	-30.44
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1C#N	REAL300012083450	0	42	0.0	-38.94	337.61	8.68	-30.26
O=C([O-])C([NH2+]CC1=CC=C(SC(F)F)C=C1)C1CC=CCC1	REAL300012083451	0	41	0.0	-37.07	335.60	10.19	-26.88
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C1CC=CCC1	REAL300012083452	0	41	0.0	-35.90	330.45	8.53	-27.37
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083453	0	43	0.0	-32.23	334.86	10.36	-21.87
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC(Cl)=C1OC	REAL300012083454	0	45	0.0	-38.96	364.49	8.75	-30.21
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OCC(C)C	REAL300012083455	0	54	0.0	-35.78	410.11	10.57	-25.21
CCCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OC	REAL300012083456	0	51	0.0	-34.50	387.07	9.81	-24.69
O=C([O-])C([NH2+]CC1=CC=C(Br)S1)C1CC=CCC1	REAL300012083457	0	34	0.0	-30.95	299.83	8.80	-22.15
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC(Cl)=C1OC	REAL300012083458	0	48	0.0	-38.77	386.34	9.68	-29.09
C=CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083459	0	45	0.0	-36.44	352.16	9.79	-26.65
CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC	REAL300012083460	0	48	0.0	-37.42	383.53	9.59	-27.83
CCCCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OC	REAL300012083461	0	54	0.0	-34.56	408.57	10.59	-23.97
CCCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OCC	REAL300012083462	0	54	0.0	-34.48	426.88	11.30	-23.18
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC(F)F	REAL300012083463	0	45	0.0	-32.27	353.47	8.37	-23.90
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OC(F)F	REAL300012083464	0	48	0.0	-37.25	375.32	9.28	-27.97
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COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC2=C1OCCO2	REAL300012083466	0	47	0.0	-39.83	359.47	7.95	-31.88
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CCCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC	REAL300012083469	0	51	0.0	-37.26	405.03	10.39	-26.87
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CC(CCC1=CC=CC=C1)C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083471	0	49	0.0	-35.61	361.98	11.66	-23.95
CC1(C)CCC2=C(C1)SC(C[NH2+]C(C(=O)[O-])C1CC=CCC1)=N2	REAL300012083472	0	49	0.0	-27.06	369.23	9.53	-17.53
CC1=C(C)C=C2OC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CC2=C1	REAL300012083473	0	46	0.0	-38.39	351.96	10.65	-27.74
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COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OCC1=CC=CS1	REAL300012083478	0	52	0.0	-37.46	415.71	11.12	-26.34
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CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1[N+](=O)[O-]	REAL300012083489	0	54	0.0	-47.05	420.51	13.83	-33.22
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083490	0	47	0.0	-32.95	355.82	9.83	-23.12
COC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)O2)C([N+](=O)[O-])=C1	REAL300012083491	0	50	0.0	-47.96	397.91	11.29	-36.67
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COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OC(C)C	REAL300012083494	0	51	0.0	-36.04	386.42	9.71	-26.33
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CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1[N+](=O)[O-]	REAL300012083496	0	42	0.0	-44.69	329.18	10.07	-34.62
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083497	0	47	0.0	-33.88	352.25	9.65	-24.23
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CC(C[NH2+]C(C(=O)[O-])C1CC=CCC1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012083499	0	58	0.0	-33.37	417.89	13.26	-20.11
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CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083502	0	49	0.0	-33.00	366.93	11.61	-21.39
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=C2)C=C1	REAL300012083503	0	50	0.0	-33.78	383.51	13.05	-20.73
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083504	0	41	0.0	-26.50	329.89	8.76	-17.74
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1[N+](=O)[O-]	REAL300012083505	0	43	0.0	-37.93	340.49	9.62	-28.31
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CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083508	0	50	0.0	-35.68	383.97	13.05	-22.63
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1CC=CCC1	REAL300012083509	0	43	0.0	-37.25	365.74	10.97	-26.28
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CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OCC	REAL300012083511	0	51	0.0	-34.69	387.42	9.92	-24.77
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COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083515	0	51	0.0	-34.43	391.96	11.94	-22.49
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)C1CC=CCC1	REAL300012083516	0	47	0.0	-40.71	383.48	11.72	-28.99
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C(Br)=C1O	REAL300012083517	0	42	0.0	-37.55	340.82	6.61	-30.94
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COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OCC1=CC=CN=C1	REAL300012083519	0	54	0.0	-39.99	423.25	10.36	-29.63
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O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)C1CC=CCC1	REAL300012083524	0	46	0.0	-32.37	359.63	10.85	-21.52
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1CC=CCC1	REAL300012083525	0	46	0.0	-38.71	357.12	10.61	-28.10
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1CC=CCC1	REAL300012083526	0	46	0.0	-37.76	357.32	10.62	-27.14
CN1CCN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C=C2)CC1	REAL300012083527	1	54	0.0	-33.15	392.18	7.50	-25.65
O=C([O-])C([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1CC=CCC1	REAL300012083528	0	46	0.0	-38.63	366.79	7.44	-31.19
CNC(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083529	0	44	0.0	-37.99	339.44	7.07	-30.92
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C1CC=CCC1	REAL300012083530	0	44	0.0	-38.80	350.21	10.17	-28.63
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C1CC=CCC1	REAL300012083531	0	44	0.0	-39.62	363.46	10.70	-28.92
O=C([O-])C([NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1)C1CC=CCC1	REAL300012083532	0	44	0.0	-33.08	388.85	10.80	-22.28
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC(C)=C1OCC1=CC=CC=N1	REAL300012083533	0	56	0.0	-36.82	431.61	12.01	-24.81
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1CC=CCC1	REAL300012083534	0	44	0.0	-35.04	353.90	9.48	-25.56
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OCC1=CC=CC=C1	REAL300012083535	0	58	0.0	-35.94	447.33	12.97	-22.97
COC1=C2OC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CC2=CC=C1	REAL300012083536	0	44	0.0	-42.05	343.16	8.74	-33.31
CC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1[N+](=O)[O-]	REAL300012083537	0	48	0.0	-44.90	370.07	11.38	-33.52
O=C([O-])C([NH2+]CC1=CC(Br)=C2OCOC2=C1)C1CC=CCC1	REAL300012083538	0	40	0.0	-36.24	332.35	8.17	-28.07
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OCC(C)C	REAL300012083539	0	57	0.0	-34.22	429.02	11.40	-22.82
O=C([O-])C([NH2+]CC1=CC(Br)=CC=C1F)C1CC=CCC1	REAL300012083540	0	37	0.0	-34.58	314.79	9.60	-24.98
COC1=CC(Br)=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC	REAL300012083541	0	45	0.0	-28.42	362.08	8.74	-19.68
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1F)C1CC=CCC1	REAL300012083542	0	37	0.0	-36.34	311.85	9.53	-26.81
COC1=CC(OC)=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083543	0	45	0.0	-35.34	344.78	7.52	-27.82
COC1=CC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C=C2C=C1	REAL300012083544	0	47	0.0	-35.88	361.24	10.47	-25.41
O=C([O-])C([NH2+]CC1=CC(Br)=CS1)C1CC=CCC1	REAL300012083546	0	34	0.0	-32.76	299.62	8.69	-24.07
CCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OCC	REAL300012083547	0	57	0.0	-35.82	430.42	11.50	-24.32
O=C([O-])C([NH2+]CC1=CC=C(CSC(F)F)O1)C1CC=CCC1	REAL300012083548	0	41	0.0	-31.01	345.50	9.45	-21.56
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2NC1=O)C1CC=CCC1	REAL300012083549	0	43	0.0	-27.74	335.32	7.93	-19.81
O=C([O-])C([NH2+]CC1=CC=C(F)C(Br)=C1)C1CC=CCC1	REAL300012083551	0	37	0.0	-33.16	311.97	9.54	-23.62
CC1=CC=C(COC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C=C2)C=C1	REAL300012083552	0	54	0.0	-34.33	415.64	12.75	-21.58
O=C([O-])C([NH2+]CC1=CC=C(N2CCCCC2)C=C1)C1CC=CCC1	REAL300012083553	0	52	0.0	-33.12	377.01	10.11	-23.01
CCCCCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083554	0	56	0.0	-34.59	422.32	12.25	-22.34
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1SC	REAL300012083555	0	45	0.0	-37.22	356.82	9.32	-27.90
N#CCCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083556	0	48	0.0	-42.17	378.68	10.42	-31.75
CCCCCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OC	REAL300012083557	0	57	0.0	-34.50	430.06	11.37	-23.13
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OC	REAL300012083558	0	54	0.0	-35.79	407.18	10.50	-25.29
CCCCCCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083559	0	59	0.0	-34.47	443.82	13.03	-21.44
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OCCCC#N	REAL300012083560	0	52	0.0	-46.68	410.86	10.41	-36.27
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OC	REAL300012083561	0	52	0.0	-35.39	397.88	10.35	-25.04
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OCCC(C)C	REAL300012083562	0	57	0.0	-34.54	426.13	11.11	-23.43
C=CCC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC(OC)=C1O	REAL300012083563	0	49	0.0	-36.64	380.65	8.06	-28.58
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1CC=CCC1	REAL300012083564	0	44	0.0	-37.13	343.51	8.75	-28.38
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OCC(F)(F)F	REAL300012083565	0	51	0.0	-38.33	409.92	10.47	-27.86
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC=C2)N=N1)C1CC=CCC1	REAL300012083566	0	43	0.0	-44.76	338.69	8.74	-36.02
O=C([O-])C([NH2+]CC1=NC(C2=CC=CC=C2)=CS1)C1CC=CCC1	REAL300012083567	0	43	0.0	-29.45	346.12	9.56	-19.89
O=C([O-])C([NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1)C1CC=CCC1	REAL300012083568	0	50	0.0	-35.29	381.95	8.10	-27.19
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1Cl	REAL300012083569	0	45	0.0	-33.99	368.19	10.33	-23.66
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C1CC=CCC1	REAL300012083570	0	43	0.0	-34.26	348.00	9.81	-24.45
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C2OC(C)CC2=C1	REAL300012083571	0	49	0.0	-29.33	372.27	8.77	-20.56
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CC=C2O1	REAL300012083572	0	48	0.0	-34.19	360.37	10.04	-24.15
O=C([O-])C([NH2+]CC1=COC(C2=CC=CC=C2)=N1)C1CC=CCC1	REAL300012083573	0	43	0.0	-40.56	344.60	7.40	-33.16
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COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1C#N	REAL300012083704	0	42	0.0	-41.61	337.61	8.68	-32.93
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CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083708	0	52	0.0	-40.39	394.66	11.59	-28.80
CN1C(=O)CCC2=CC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CC=C21	REAL300012083709	0	48	0.0	-40.13	361.65	9.81	-30.32
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CN1C=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C=C2)C=N1	REAL300012083719	0	47	0.0	-39.62	365.90	10.21	-29.41
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CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=N1	REAL300012083722	0	51	0.0	-37.29	394.15	11.34	-25.95
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CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)S2)C=C1C	REAL300012083744	0	49	0.0	-33.69	391.33	11.19	-22.50
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083745	0	47	0.0	-41.44	370.67	10.91	-30.53
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083746	0	47	0.0	-39.13	378.39	11.45	-27.68
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083747	0	50	0.0	-36.79	387.68	11.43	-25.36
CC(C)(C#N)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083748	0	47	0.0	-40.87	364.51	10.92	-29.95
COC1=CC(OC)=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1F	REAL300012083749	0	45	0.0	-34.82	349.59	7.64	-27.18
COC1=CC(F)=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC	REAL300012083750	0	45	0.0	-30.98	351.18	8.21	-22.77
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CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083752	0	50	0.0	-35.65	384.16	11.32	-24.33
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C(C)=C1	REAL300012083753	0	50	0.0	-30.93	368.95	10.38	-20.55
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1CC=CCC1	REAL300012083754	0	39	0.0	-38.59	317.97	8.64	-29.95
O=C([O-])C([NH2+]CC1=CC2=CC(Br)=CC=C2O1)C1CC=CCC1	REAL300012083755	0	40	0.0	-36.75	332.13	9.94	-26.81
CCC1=C2OC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CC2=CC=C1	REAL300012083756	0	46	0.0	-38.08	356.56	10.88	-27.20
O=C([O-])C([NH2+]CC1=CC=CC(OC2CC2)=C1F)C1CC=CCC1	REAL300012083757	0	45	0.0	-41.81	353.82	9.96	-31.85
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C(C)=C1	REAL300012083758	0	47	0.0	-32.67	350.70	9.73	-22.94
O=C([O-])C([NH2+]CC1=CC=CC(C2CCCC2)=C1)C1CC=CCC1	REAL300012083759	0	50	0.0	-32.88	372.12	12.18	-20.70
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1)C1CC=CCC1	REAL300012083760	0	43	0.0	-35.56	365.87	10.37	-25.19
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1CC=CCC1	REAL300012083761	0	37	0.0	-32.77	313.58	8.94	-23.83
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)O1)C1CC=CCC1	REAL300012083762	0	37	0.0	-39.88	307.70	8.28	-31.60
CC(C)OC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1Cl	REAL300012083763	0	47	0.0	-27.75	382.15	10.75	-17.00
O=C([O-])C([NH2+]CC1=CC=C(OC2CCOC2)C=C1)C1CC=CCC1	REAL300012083764	0	49	0.0	-36.39	370.80	8.59	-27.80
CN(C)C1=CC(F)=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1F	REAL300012083765	0	45	0.0	-31.15	353.27	8.55	-22.60
COC(=O)C1=C2CCCCN2C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083766	0	51	0.0	-33.35	384.66	10.54	-22.81
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC(C(F)(F)F)=C1	REAL300012083767	0	44	0.0	-34.59	352.37	9.19	-25.40
C=CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC	REAL300012083768	0	49	0.0	-37.69	396.43	10.16	-27.53
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC1CC1	REAL300012083769	0	49	0.0	-35.68	374.75	9.75	-25.93
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083770	0	40	0.0	-39.48	329.92	7.51	-31.97
COCC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083771	0	51	0.0	-37.44	387.37	9.12	-28.32
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1CC=CCC1	REAL300012083772	0	44	0.0	-35.04	351.11	11.50	-23.54
O=C([O-])C([NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C1CC=CCC1	REAL300012083773	0	50	0.0	-30.57	378.27	10.98	-19.59
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1C(C)(C)C	REAL300012083774	0	53	0.0	-32.70	385.64	10.86	-21.84
O=C([O-])C([NH2+]CC1=CC=CC(CC2CCC2)=C1)C1CC=CCC1	REAL300012083775	0	50	0.0	-31.15	376.01	12.39	-18.76
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=NC=C1Br	REAL300012083776	0	39	0.0	-36.34	319.82	8.22	-28.12
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C(Br)C=C1F	REAL300012083777	0	40	0.0	-26.18	330.09	10.25	-15.93
O=C([O-])C([NH2+]CC1=C(O)C=CC=C1Br)C1CC=CCC1	REAL300012083778	0	38	0.0	-28.28	313.28	6.64	-21.64
CN1C=C(C2=NC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CS2)C=N1	REAL300012083779	0	43	0.0	-42.16	355.29	7.51	-34.65
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1Cl	REAL300012083780	0	41	0.0	-36.19	333.43	8.82	-27.37
O=C([O-])C([NH2+]CC1=CC=NN1CC1CCC1)C1CC=CCC1	REAL300012083781	0	47	0.0	-30.08	347.26	9.18	-20.90
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C1CC=CCC1	REAL300012083782	0	43	0.0	-45.62	347.26	8.86	-36.76
CN1C=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C(Br)=N1	REAL300012083783	0	37	0.0	-27.86	308.46	7.16	-20.70
CC(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083784	0	44	0.0	-38.86	343.71	7.88	-30.98
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CN=C21	REAL300012083785	0	42	0.0	-38.09	327.28	7.92	-30.17
O=C([O-])C([NH2+]CC1=NC=C(Br)C=C1F)C1CC=CCC1	REAL300012083786	0	36	0.0	-31.80	305.76	7.62	-24.18
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC	REAL300012083787	0	45	0.0	-29.27	358.50	8.64	-20.63
O=C([O-])C([NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C1CC=CCC1	REAL300012083788	0	43	0.0	-34.88	343.94	10.58	-24.30
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083789	0	57	0.0	-37.29	432.86	9.33	-27.96
CN1N=C2CCCCC2=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083790	0	47	0.0	-32.78	349.21	8.86	-23.92
CCOC(=O)C1=C(C)C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C(C)N1	REAL300012083791	0	50	0.0	-30.52	383.89	9.22	-21.30
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1)C1CC=CCC1	REAL300012083792	0	47	0.0	-36.07	378.01	12.85	-23.22
O=C([O-])C([NH2+]CC1=CC=C(Br)C(F)=C1F)C1CC=CCC1	REAL300012083793	0	37	0.0	-29.76	319.37	9.68	-20.08
O=C([O-])C([NH2+]CC1=C(Br)SC=C1)C1CC=CCC1	REAL300012083794	0	34	0.0	-26.26	295.84	8.62	-17.64
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C(F)C=C1OC	REAL300012083795	0	48	0.0	-30.75	373.04	9.13	-21.62
O=C([O-])C([NH2+]CC1=CC=CN=C1Br)C1CC=CCC1	REAL300012083796	0	36	0.0	-36.30	293.57	7.52	-28.78
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C(F)C=C1Br	REAL300012083797	0	41	0.0	-29.61	342.29	8.97	-20.64
O=C([O-])C([NH2+]CC1=CC=CC(Br)=C1Cl)C1CC=CCC1	REAL300012083798	0	37	0.0	-27.81	317.94	9.90	-17.91
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083799	0	44	0.0	-35.29	343.55	9.22	-26.07
O=C([O-])C([NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1)C1CC=CCC1	REAL300012083800	0	51	0.0	-45.28	381.46	9.96	-35.32
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C=C1F)C1CC=CCC1	REAL300012083801	0	41	0.0	-36.57	329.80	8.46	-28.11
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083802	0	50	0.0	-36.25	368.30	10.11	-26.14
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C(F)C=C1C	REAL300012083803	0	44	0.0	-28.50	342.03	9.04	-19.46
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C(C)=C1Br	REAL300012083804	0	43	0.0	-31.70	332.39	10.45	-21.25
CC1=CC=NC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1Br	REAL300012083805	0	39	0.0	-29.06	316.64	8.11	-20.95
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083806	0	54	0.0	-34.70	405.04	9.03	-25.67
CC(C)(C)C1=CSC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=N1	REAL300012083807	1	45	0.0	-28.06	348.54	8.51	-19.55
COCCC1=NC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)S1	REAL300012083808	0	43	0.0	-32.88	346.85	6.65	-26.23
O=C([O-])C([NH2+]CC1=CC(Br)=CC(F)=C1O)C1CC=CCC1	REAL300012083810	1	38	0.0	-34.33	325.03	6.86	-27.47
CN1N=C2CCSCC2=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083811	0	45	0.0	-36.11	352.36	8.64	-27.47
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1CC=CCC1	REAL300012083812	0	45	0.0	-32.82	332.61	8.88	-23.94
O=C([O-])C([NH2+]CC1=CC=C2OC(=O)OC2=C1)C1CC=CCC1	REAL300012083813	0	39	0.0	-45.59	315.66	9.52	-36.07
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C(Cl)=C1	REAL300012083814	0	54	0.0	-34.58	430.03	13.67	-20.91
CC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)S1	REAL300012083815	0	37	0.0	-32.83	317.39	9.35	-23.48
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C1CC=CCC1	REAL300012083816	0	47	0.0	-35.13	378.84	12.90	-22.23
O=C([O-])C([NH2+]CC1=CC=CC(F)=C1I)C1CC=CCC1	REAL300012083817	0	37	0.0	-26.36	312.99	9.91	-16.45
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1C	REAL300012083818	0	50	0.0	-32.31	377.90	10.65	-21.66
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1COC1=CC=CC=C1	REAL300012083819	0	55	0.0	-32.89	425.85	11.70	-21.19
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1CN1C=CC=N1	REAL300012083820	0	51	0.0	-39.90	400.11	9.95	-29.95
CC1=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=CC=C1[N+](=O)[O-]	REAL300012083821	0	42	0.0	-34.88	321.74	9.95	-24.93
COC1=CC=C(CN2C=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)N=N2)C=C1	REAL300012083822	0	50	0.0	-47.53	390.63	8.43	-39.10
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C(F)=C1OC	REAL300012083823	0	45	0.0	-41.55	353.04	8.20	-33.35
COC(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C(F)=C1	REAL300012083824	0	43	0.0	-43.43	348.26	9.64	-33.79
O=C([O-])C([NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)C1CC=CCC1	REAL300012083825	0	47	0.0	-38.52	371.61	9.26	-29.26
O=C([O-])C([NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1)C1CC=CCC1	REAL300012083826	0	51	0.0	-35.87	396.23	12.15	-23.72
O=C([O-])C([NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1)C1CC=CCC1	REAL300012083827	0	43	0.0	-36.63	364.54	10.10	-26.53
COC1=CC=C(C2=NC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CS2)C=C1	REAL300012083828	0	47	0.0	-38.55	380.13	9.00	-29.55
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C=NC2=NN1	REAL300012083830	0	42	0.0	-39.57	328.03	7.40	-32.17
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083831	0	45	0.0	-42.37	365.20	5.58	-36.79
O=C([O-])C([NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1)C1CC=CCC1	REAL300012083832	0	51	0.0	-40.79	414.24	12.27	-28.52
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1CC=CCC1	REAL300012083833	0	43	0.0	-39.79	342.03	7.13	-32.66
O=C([O-])C([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1CC=CCC1	REAL300012083834	0	42	0.0	-28.87	335.94	9.69	-19.18
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1CC=CCC1	REAL300012083835	0	37	0.0	-31.10	315.86	9.18	-21.92
O=C([O-])C([NH2+]CC1=NC2=CC=C(Br)C=C2S1)C1CC=CCC1	REAL300012083836	0	39	0.0	-30.13	340.90	9.02	-21.11
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083837	0	47	0.0	-34.85	367.54	11.54	-23.31
O=C([O-])C([NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1)C1CC=CCC1	REAL300012083838	0	56	0.0	-35.26	422.86	12.43	-22.83
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1)C1CC=CCC1	REAL300012083839	0	43	0.0	-46.04	351.98	9.28	-36.76
O=C([O-])C([NH2+]CC1=CN2C=CC(Br)=CC2=N1)C1CC=CCC1	REAL300012083840	0	40	0.0	-42.87	334.23	10.01	-32.86
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083841	0	48	0.0	-36.48	370.21	10.22	-26.26
COCC1=CC=CC=C1C=C(C)C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083842	0	51	0.0	-35.56	382.59	10.43	-25.13
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C=N2)C=C1	REAL300012083843	0	48	0.0	-39.32	373.29	9.39	-29.93
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083844	0	52	0.0	-33.36	409.69	12.38	-20.98
O=C([O-])C([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C1CC=CCC1	REAL300012083845	0	39	0.0	-42.87	325.19	6.90	-35.97
O=C([O-])C([NH2+]CC1=CC=NC=C1Br)C1CC=CCC1	REAL300012083846	0	36	0.0	-27.25	298.71	7.77	-19.48
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)S1	REAL300012083847	0	40	0.0	-43.07	337.20	5.51	-37.56
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C(F)=C1	REAL300012083848	0	42	0.0	-44.84	347.73	3.94	-40.90
CC1=C(Br)C=NC=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083849	0	39	0.0	-33.45	312.58	8.18	-25.27
COC1=CC=C(C2=CC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CC3=C2OCO3)C=N1	REAL300012083850	0	53	0.0	-41.42	421.82	8.00	-33.42
O=C([O-])C([NH2+]CC1=CC=NN1C1CCOCC1)C1CC=CCC1	REAL300012083851	0	48	0.0	-32.62	356.62	7.36	-25.26
O=C([O-])C([NH2+]CC1=CC2=C(C=CNC2=O)O1)C1CC=CCC1	REAL300012083852	0	40	0.0	-41.36	315.58	6.27	-35.09
O=C([O-])C([NH2+]CC1=CN(CC2CCOC2)N=N1)C1CC=CCC1	REAL300012083853	0	47	0.0	-47.56	360.24	6.36	-41.20
CC1=CC(C)=C(C=CC[NH2+]C(C(=O)[O-])C2CC=CCC2)C(C)=C1	REAL300012083854	0	50	0.0	-33.84	374.99	12.01	-21.83
O=C([O-])C([NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C1CC=CCC1	REAL300012083855	0	57	0.0	-35.77	424.99	7.74	-28.03
CC(C)(C)OC(=O)NC(C[NH2+]C(C(=O)[O-])C1CC=CCC1)CC(F)F	REAL300012083856	0	53	0.0	-35.95	391.55	7.68	-28.27
O=C([O-])C([NH2+]CC1=CN(CC2CCCO2)N=N1)C1CC=CCC1	REAL300012083857	0	47	0.0	-45.60	362.95	6.55	-39.05
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1CC=CCC1	REAL300012083858	0	42	0.0	-44.60	335.32	9.41	-35.19
CC1=CC(C)=C(C=CC[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1C	REAL300012083859	0	50	0.0	-34.17	371.00	11.86	-22.31
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083860	0	42	0.0	-41.10	337.14	3.75	-37.35
O=C([O-])C([NH2+]CC1=NC=CC2=C1CCCC2)C1CC=CCC1	REAL300012083861	0	46	0.0	-26.80	332.56	9.25	-17.55
CN1C=CC(C2=NC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CS2)=N1	REAL300012083862	0	43	0.0	-44.82	352.58	7.27	-37.55
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1Br	REAL300012083863	0	40	0.0	-32.26	319.77	10.04	-22.22
O=C([O-])C([NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1)C1CC=CCC1	REAL300012083864	0	48	0.0	-33.78	383.02	11.89	-21.89
O=C([O-])C([NH2+]CC1=CC=C2OCCCC2=C1)C1CC=CCC1	REAL300012083865	0	45	0.0	-35.72	339.48	9.55	-26.17
CN(C)C(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083866	0	47	0.0	-40.86	358.54	8.78	-32.08
O=C([O-])C([NH2+]CC1=C(C2CC2)NN=C1Cl)C1CC=CCC1	REAL300012083867	0	41	0.0	-34.46	329.33	7.75	-26.71
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C2CCCCC2=N1	REAL300012083868	0	49	0.0	-34.38	360.52	10.15	-24.23
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=N1)C1CC=CCC1	REAL300012083869	0	36	0.0	-41.70	309.84	6.93	-34.77
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C(F)=C1)C1CC=CCC1	REAL300012083870	0	40	0.0	-44.32	327.33	9.94	-34.38
COC(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1C	REAL300012083871	0	46	0.0	-37.22	358.73	10.16	-27.06
CC1=C(Cl)C=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1Cl	REAL300012083872	0	40	0.0	-32.56	328.17	10.28	-22.28
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C(C)C=C1I	REAL300012083873	0	43	0.0	-30.33	341.47	10.98	-19.35
N#CC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083874	0	38	0.0	-30.72	321.20	9.85	-20.87
CC1CC2=CC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CC=C2O1	REAL300012083875	0	45	0.0	-34.13	339.85	9.37	-24.76
O=C([O-])C([NH2+]CC1=CC=CC2=C1OC(=O)N2)C1CC=CCC1	REAL300012083876	0	40	0.0	-32.74	315.86	6.32	-26.42
CSCC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083877	0	44	0.0	-33.68	349.09	10.68	-23.00
O=C([O-])C([NH2+]CC1=CN(CC2CCC2)N=C1)C1CC=CCC1	REAL300012083878	0	47	0.0	-38.45	360.15	9.72	-28.73
CN1N=C2CCOCC2=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083879	0	45	0.0	-34.67	340.29	6.48	-28.19
CN(C)C(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083880	0	47	0.0	-38.74	353.79	8.63	-30.11
CCNC(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083881	0	47	0.0	-37.56	360.92	7.92	-29.64
O=C([O-])C([NH2+]CC1=CN=C2CCCCCN12)C1CC=CCC1	REAL300012083882	0	47	0.0	-32.00	341.86	9.33	-22.67
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CC2=C1	REAL300012083883	0	44	0.0	-35.81	351.05	9.65	-26.16
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083884	0	53	0.0	-37.13	393.97	10.54	-26.59
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CC=C21	REAL300012083885	0	49	0.0	-33.18	362.27	9.41	-23.77
CCN(C)C(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083886	0	50	0.0	-37.53	375.82	9.65	-27.88
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1Cl	REAL300012083887	0	41	0.0	-37.10	340.19	10.36	-26.74
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C(C)=C2)C=C1	REAL300012083888	0	50	0.0	-37.46	377.69	11.11	-26.35
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1CC=CCC1	REAL300012083889	0	43	0.0	-34.94	354.16	10.68	-24.26
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083890	0	47	0.0	-36.09	371.58	11.05	-25.04
CCC1=CC(Br)=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)S1	REAL300012083891	0	40	0.0	-27.98	338.89	10.12	-17.86
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C=C2)C=C1Cl	REAL300012083892	0	47	0.0	-37.17	382.72	11.21	-25.96
COC(=O)C1=CC2=C(C=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)O2)N1	REAL300012083893	0	44	0.0	-43.48	354.37	7.71	-35.77
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)O1	REAL300012083894	0	45	0.0	-38.45	355.02	7.66	-30.79
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Br)=C1)C1CC=CCC1	REAL300012083895	0	37	0.0	-33.19	320.99	9.92	-23.27
COC1=CC=CC(C2=CSC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=N2)=C1	REAL300012083896	0	47	0.0	-31.30	380.51	9.03	-22.27
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083897	0	57	0.0	-36.58	430.86	9.25	-27.33
COC(=O)C1=C2COCCN2C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083898	0	49	0.0	-34.99	376.35	8.16	-26.83
O=C([O-])C([NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1)C1CC=CCC1	REAL300012083899	0	54	0.0	-44.61	400.26	10.88	-33.73
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083900	0	47	0.0	-37.35	355.29	11.85	-25.50
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C1CC=CCC1	REAL300012083901	0	40	0.0	-28.72	350.15	10.79	-17.93
O=C([O-])C([NH2+]CC1=CN=C(C2CCOCC2)O1)C1CC=CCC1	REAL300012083902	1	47	0.0	-36.76	355.24	5.25	-31.51
O=C([O-])C([NH2+]CC1=CC=C(F)C(Br)=C1F)C1CC=CCC1	REAL300012083903	0	37	0.0	-28.41	315.85	9.57	-18.84
CC1=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C(C(C)(C)C)O1	REAL300012083904	0	49	0.0	-28.94	368.91	10.44	-18.50
O=C([O-])C([NH2+]CC1=CN(CC2=CC=CC=C2)N=N1)C1CC=CCC1	REAL300012083905	0	46	0.0	-44.94	363.16	9.22	-35.72
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)CC1	REAL300012083906	0	57	0.0	-42.14	408.68	9.90	-32.24
CC1=CC(Br)=CN=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083907	0	39	0.0	-27.57	318.96	8.19	-19.38
O=C([O-])C([NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C1CC=CCC1	REAL300012083908	0	43	0.0	-42.10	357.69	6.80	-35.30
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C=C2C1C	REAL300012083909	0	48	0.0	-34.15	356.37	9.89	-24.26
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OC(F)F	REAL300012083910	0	44	0.0	-36.62	344.30	9.20	-27.42
CC1=NC(Cl)=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1Br	REAL300012083911	0	39	0.0	-33.52	328.58	8.52	-25.00
CC1=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)NN=C1C(F)(F)F	REAL300012083912	0	40	0.0	-36.18	325.67	6.82	-29.36
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1CC=CCC1	REAL300012083913	0	37	0.0	-38.29	309.16	6.32	-31.97
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C=C2)O1	REAL300012083914	0	54	0.0	-40.39	433.85	11.07	-29.32
CC1=C(Br)C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C(C)S1	REAL300012083915	0	40	0.0	-24.99	329.87	9.75	-15.24
O=C([O-])C([NH2+]CC1=CC=C(CC2CC2)S1)C1CC=CCC1	REAL300012083916	0	44	0.0	-29.82	349.01	11.13	-18.69
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1CC=CCC1	REAL300012083917	0	45	0.0	-33.99	344.29	9.85	-24.14
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C1CC=CCC1	REAL300012083918	0	41	0.0	-35.77	336.54	8.68	-27.09
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1CC=CCC1	REAL300012083919	0	43	0.0	-37.69	355.00	10.76	-26.93
CC1=NC=CN1C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C(C)=C1	REAL300012083920	0	50	0.0	-36.22	375.85	11.82	-24.40
CC1=C(C)N(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C=C2)C=N1	REAL300012083921	0	50	0.0	-38.89	380.70	12.40	-26.49
CNC(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083922	0	44	0.0	-44.58	341.44	7.15	-37.43
O=C([O-])C([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1CC=CCC1	REAL300012083923	0	51	0.0	-32.10	377.38	12.83	-19.27
CCNC(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083925	0	47	0.0	-45.63	365.86	8.08	-37.55
CC1=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)OC2=CC=C(F)C=C12	REAL300012083926	0	43	0.0	-36.94	338.82	10.05	-26.89
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083927	0	47	0.0	-37.34	367.97	10.12	-27.22
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083928	0	48	0.0	-32.24	354.37	9.29	-22.95
O=C([O-])C([NH2+]CC1=CC2=C(Br)C=CC=C2S1)C1CC=CCC1	REAL300012083929	0	40	0.0	-32.96	341.93	10.93	-22.03
O=C([O-])C([NH2+]CC1=NN(CC(F)(F)F)C=C1)C1CC=CCC1	REAL300012083930	0	40	0.0	-41.59	325.24	7.85	-33.74
O=C([O-])C([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C1CC=CCC1	REAL300012083931	0	47	0.0	-29.01	358.80	11.01	-18.00
CN1C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=NC2=C1CCCC2	REAL300012083932	0	47	0.0	-40.01	351.52	9.65	-30.36
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1CC=CCC1	REAL300012083933	0	40	0.0	-43.89	326.51	9.89	-34.00
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1CC=CCC1	REAL300012083934	0	45	0.0	-31.27	331.73	8.86	-22.41
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083935	0	50	0.0	-39.71	397.13	11.51	-28.20
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083936	0	44	0.0	-32.54	354.65	9.76	-22.78
O=C([O-])C([NH2+]CC1=NC2=C(COCC2)S1)C1CC=CCC1	REAL300012083937	1	41	0.0	-30.45	325.20	6.25	-24.20
O=C([O-])C([NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1)C1CC=CCC1	REAL300012083938	0	39	0.0	-43.29	320.40	9.66	-33.63
O=C([O-])C([NH2+]CC1=CN(C2CCCCC2)N=C1)C1CC=CCC1	REAL300012083939	0	50	0.0	-32.91	372.55	10.02	-22.89
O=C([O-])C([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1)C1CC=CCC1	REAL300012083940	0	44	0.0	-35.40	361.76	10.44	-24.96
CN(CCO)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=N1	REAL300012083941	0	48	0.0	-36.97	365.36	6.48	-30.49
COC1=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=CC=C1C(C)(C)C	REAL300012083942	0	53	0.0	-31.22	381.26	10.71	-20.51
CN1C=C(Br)N=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083943	0	37	0.0	-28.95	309.30	7.83	-21.12
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1O	REAL300012083944	0	45	0.0	-31.21	336.32	6.48	-24.73
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C1CC=CCC1	REAL300012083945	0	43	0.0	-29.89	344.66	8.08	-21.81
CN1C(=O)C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC2=CC=CC=C21	REAL300012083946	0	46	0.0	-29.10	354.37	9.74	-19.36
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1CC=CCC1	REAL300012083947	0	44	0.0	-37.90	340.09	8.73	-29.17
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1CC=CCC1	REAL300012083948	0	50	0.0	-32.96	376.57	12.46	-20.50
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083949	0	47	0.0	-36.01	379.16	9.56	-26.45
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083950	0	54	0.0	-37.50	409.71	9.21	-28.29
O=C([O-])C([NH2+]CC1=CC=NN1C1CC1(F)F)C1CC=CCC1	REAL300012083951	0	41	0.0	-39.03	328.70	8.41	-30.62
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083952	0	43	0.0	-36.14	337.02	10.40	-25.74
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1CC=CCC1	REAL300012083953	0	43	0.0	-35.56	348.71	9.70	-25.86
CC(C)(C#N)C1=NC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)S1	REAL300012083954	0	43	0.0	-32.88	354.60	8.30	-24.58
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1CC=CCC1	REAL300012083955	0	44	0.0	-33.46	348.53	11.22	-22.24
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(Br)=C1F)C1CC=CCC1	REAL300012083956	0	37	0.0	-27.77	324.97	9.98	-17.79
O=C([O-])C([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1CC=CCC1	REAL300012083957	0	48	0.0	-34.87	389.17	12.24	-22.63
COC1=CC=CC(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C=C2)=C1	REAL300012083958	0	52	0.0	-39.39	403.65	11.10	-28.29
CCN1CCCC2=CC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=CC=C21	REAL300012083959	0	52	0.0	-33.40	374.72	9.93	-23.47
CN1N=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1Br	REAL300012083960	0	37	0.0	-31.08	307.72	7.08	-24.00
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012083961	0	52	0.0	-39.24	402.65	11.65	-27.59
O=C([O-])C([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1CC=CCC1	REAL300012083962	0	41	0.0	-35.18	341.37	10.32	-24.86
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C1CC=CCC1	REAL300012083963	0	51	0.0	-36.34	412.97	12.69	-23.65
O=C([O-])C([NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C1CC=CCC1	REAL300012083964	0	50	0.0	-34.57	378.21	9.54	-25.03
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1OC(F)F)C1CC=CCC1	REAL300012083965	0	41	0.0	-34.69	344.15	9.15	-25.54
O=C([O-])C([NH2+]CC1=CC=C2CCOCC2=C1)C1CC=CCC1	REAL300012083966	0	45	0.0	-33.71	336.67	8.89	-24.82
CC1=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)SC2=CC(F)=CC=C12	REAL300012083967	0	43	0.0	-28.54	344.86	10.94	-17.60
O=C([O-])C([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1CC=CCC1	REAL300012083968	0	43	0.0	-39.66	342.51	7.13	-32.53
O=C([O-])C([NH2+]CC1=CC=CC(OCC2CCC2)=C1)C1CC=CCC1	REAL300012083969	0	51	0.0	-34.62	384.56	11.23	-23.39
CC(F)(F)C1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083970	0	43	0.0	-34.59	325.52	10.39	-24.20
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OCCO	REAL300012083971	0	49	0.0	-37.35	376.94	5.92	-31.43
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1OCCO	REAL300012083972	0	49	0.0	-38.35	376.94	5.92	-32.43
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC=C1OCC1CCCO1	REAL300012083973	0	56	0.0	-38.31	425.58	9.60	-28.71
COC1=CSC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1OC	REAL300012083974	0	42	0.0	-29.68	336.88	6.87	-22.81
O=C([O-])C([NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1)C1CC=CCC1	REAL300012083975	0	46	0.0	-37.29	383.11	10.66	-26.63
CS(=O)(=O)C1=COC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083976	0	40	0.0	-42.19	328.01	4.41	-37.78
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C1CC=CCC1	REAL300012083977	0	40	0.0	-38.00	329.29	9.90	-28.10
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1F	REAL300012083978	0	47	0.0	-40.46	363.40	9.90	-30.56
O=C([O-])C([NH2+]CC1=CC=C(F)C(Cl)=C1F)C1CC=CCC1	REAL300012083979	0	37	0.0	-28.42	311.59	9.47	-18.95
O=C([O-])C([NH2+]CC1=C(F)C2=CC=CC=C2C=C1)C1CC=CCC1	REAL300012083980	0	43	0.0	-38.06	338.45	11.22	-26.84
CS(=O)(=O)C1=CSC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083981	0	40	0.0	-40.37	340.16	5.56	-34.81
CC1=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=NN1C1CCC1	REAL300012083982	0	47	0.0	-37.54	353.55	9.38	-28.16
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1)C1CC=CCC1	REAL300012083983	0	44	0.0	-36.11	363.46	10.70	-25.41
CC1=NN(C2CCCC2)C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083984	0	50	0.0	-33.80	373.11	9.96	-23.84
O=C([O-])C([NH2+]CC1=C(Br)C=C(C(F)(F)F)S1)C1CC=CCC1	REAL300012083985	0	37	0.0	-29.93	336.16	9.73	-20.20
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C1CC=CCC1	REAL300012083986	0	44	0.0	-35.31	350.20	10.16	-25.15
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083987	0	46	0.0	-39.75	360.71	9.23	-30.52
O=C([O-])C([NH2+]CC1=NN(C2CC2(F)F)C=C1)C1CC=CCC1	REAL300012083988	0	41	0.0	-40.24	328.87	8.23	-32.01
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083989	0	53	0.0	-35.07	392.19	10.59	-24.48
O=C([O-])C([NH2+]CC1=CN(C2CCOCC2)N=C1)C1CC=CCC1	REAL300012083990	0	48	0.0	-33.33	360.38	7.53	-25.80
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083991	0	51	0.0	-35.76	382.95	8.19	-27.57
O=C([O-])C([NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C1CC=CCC1	REAL300012083992	0	42	0.0	-29.46	345.14	9.95	-19.51
O=C([O-])C([NH2+]CC1=NN(C2CCCC2)C=C1)C1CC=CCC1	REAL300012083993	0	47	0.0	-35.30	348.75	9.14	-26.16
NS(=O)(=O)C1=CSC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083994	0	39	0.0	-40.56	333.74	2.96	-37.60
O=C([O-])C([NH2+]CC1=NC=C(Cl)C=C1Cl)C1CC=CCC1	REAL300012083995	0	36	0.0	-30.56	309.96	7.90	-22.66
O=C([O-])C([NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1)C1CC=CCC1	REAL300012083996	0	52	0.0	-39.35	389.10	8.31	-31.04
CC1=NN(C2CCCC2)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012083997	0	50	0.0	-35.12	373.22	9.99	-25.13
CC1=CC(Br)=C(F)C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012083998	0	40	0.0	-38.49	332.35	10.23	-28.26
O=C([O-])C([NH2+]CC1=CC=C(Br)C(Cl)=C1F)C1CC=CCC1	REAL300012083999	0	37	0.0	-27.77	325.13	9.99	-17.78
COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1Br	REAL300012084000	0	41	0.0	-27.66	330.74	8.78	-18.88
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(F)=C1F)C1CC=CCC1	REAL300012084001	0	37	0.0	-29.86	314.96	9.57	-20.29
CN1C=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3CC=CCC3)=C2)C=N1	REAL300012084002	0	47	0.0	-37.94	365.09	10.18	-27.76
COC1=CC(F)=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1Br	REAL300012084003	0	41	0.0	-31.33	342.37	8.97	-22.36
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)C1CC=CCC1	REAL300012084004	0	47	0.0	-42.95	371.53	11.28	-31.67
CC1=CC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012084005	0	40	0.0	-29.88	320.68	10.10	-19.78
COC1=C(C#N)C=CC=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012084006	0	42	0.0	-39.47	334.69	8.68	-30.79
COC1=NC2=CC=C(C[NH2+]C(C(=O)[O-])C3CC=CCC3)C=C2S1	REAL300012084007	0	43	0.0	-38.55	352.31	6.79	-31.76
O=C([O-])C([NH2+]CC1=CC=NC(Br)=C1)C1CC=CCC1	REAL300012084008	0	36	0.0	-37.99	301.31	7.61	-30.38
O=C([O-])C([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C1CC=CCC1	REAL300012084009	0	37	0.0	-32.55	314.21	9.72	-22.83
CC(C)(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012084010	0	53	0.0	-35.03	395.60	11.22	-23.81
O=C([O-])C([NH2+]CC1=CC(Br)=CC(Cl)=C1F)C1CC=CCC1	REAL300012084011	0	37	0.0	-36.66	327.81	10.07	-26.59
COC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012084012	0	41	0.0	-34.81	332.02	8.73	-26.08
O=C([O-])C([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C1CC=CCC1	REAL300012084013	0	40	0.0	-40.01	334.23	10.18	-29.83
COC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CC(F)=C1F	REAL300012084014	0	41	0.0	-38.27	327.80	8.35	-29.92
COC(=O)C1=C(C)NC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1C	REAL300012084015	0	47	0.0	-38.71	366.68	8.58	-30.13
O=C([O-])C([NH2+]CC1=C(O)C=CC(F)=C1Br)C1CC=CCC1	REAL300012084016	0	38	0.0	-27.36	317.27	6.61	-20.75
O=C([O-])C([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C1CC=CCC1	REAL300012084017	0	53	0.0	-32.17	385.59	12.69	-19.48
COC1=CC=CC=C1C=CC[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012084018	0	45	0.0	-34.17	343.49	9.49	-24.68
CC1=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)SC(Br)=C1	REAL300012084019	0	37	0.0	-34.30	316.22	9.30	-25.00
CC1=NN(C2CCC2)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012084020	0	47	0.0	-34.17	352.08	9.23	-24.94
CC1=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=NN1CC(F)F	REAL300012084021	0	43	0.0	-32.81	338.21	8.25	-24.56
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C1CC=CCC1	REAL300012084022	0	45	0.0	-37.29	352.15	9.14	-28.15
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012084023	0	49	0.0	-39.49	381.10	10.87	-28.62
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012084024	0	44	0.0	-40.17	351.24	8.21	-31.96
O=C([O-])C([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C1CC=CCC1	REAL300012084025	0	50	0.0	-33.24	387.76	13.34	-19.90
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1Br)C1CC=CCC1	REAL300012084026	0	37	0.0	-32.32	329.88	10.38	-21.94
CCCCC(=O)NC1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012084027	0	53	0.0	-36.31	402.63	10.05	-26.26
CCN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C(C)=C1	REAL300012084028	0	51	0.0	-29.26	369.40	10.71	-18.55
O=C([O-])C([NH2+]CC1=CC(Cl)=CN=C1Br)C1CC=CCC1	REAL300012084029	0	36	0.0	-26.86	315.19	8.16	-18.70
O=C([O-])C([NH2+]CC1=C(Cl)C(Cl)=CS1)C1CC=CCC1	REAL300012084030	0	34	0.0	-28.34	305.57	8.85	-19.49
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C1CC=CCC1	REAL300012084031	0	41	0.0	-35.34	349.92	9.31	-26.03
O=C([O-])C([NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1CC=CCC1	REAL300012084032	0	47	0.0	-36.15	372.38	11.70	-24.45
O=C([O-])C([NH2+]CC1=CC=C2SC=CC2=C1)C1CC=CCC1	REAL300012084033	0	40	0.0	-33.82	321.89	10.26	-23.56
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C1CC=CCC1	REAL300012084034	0	46	0.0	-37.41	357.31	10.63	-26.78
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012084035	0	59	0.0	-36.15	446.83	13.88	-22.27
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1Br)C1CC=CCC1	REAL300012084036	0	40	0.0	-35.22	340.32	10.45	-24.77
CCC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=C1	REAL300012084037	0	49	0.0	-31.60	361.63	11.38	-20.22
O=C([O-])C([NH2+]CC1=CC2=NC=C(Br)C=C2O1)C1CC=CCC1	REAL300012084038	0	39	0.0	-38.50	329.79	8.20	-30.30
O=C([O-])C([NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1)C1CC=CCC1	REAL300012084039	0	42	0.0	-37.73	350.01	9.24	-28.49
O=C([O-])C([NH2+]CC1=CC2=C(CCOC2)N=C1Cl)C1CC=CCC1	REAL300012084040	0	44	0.0	-27.12	345.89	7.51	-19.61
O=C([O-])C([NH2+]CC1=CC2=CC(Br)=CC=C2S1)C1CC=CCC1	REAL300012084041	0	40	0.0	-35.87	344.49	11.04	-24.83
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012084042	0	50	0.0	-28.80	381.58	11.29	-17.51
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=N1	REAL300012084043	0	42	0.0	-37.97	334.11	8.81	-29.16
O=C([O-])C([NH2+]CC1=CC(Br)=CC(F)=C1F)C1CC=CCC1	REAL300012084044	0	37	0.0	-37.80	317.92	9.65	-28.15
O=C([O-])C([NH2+]CC1=CC(Cl)=C(Br)C=C1F)C1CC=CCC1	REAL300012084045	0	37	0.0	-36.07	329.59	10.06	-26.01
O=C([O-])C([NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C1CC=CCC1	REAL300012084046	0	39	0.0	-42.20	335.29	10.21	-31.99
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012084047	0	44	0.0	-37.26	345.64	10.80	-26.46
COC1=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=CC(Br)=C1F	REAL300012084048	0	41	0.0	-35.90	341.30	8.93	-26.97
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C1CC=CCC1	REAL300012084049	0	40	0.0	-41.19	328.45	9.90	-31.29
O=C([O-])C([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C1CC=CCC1	REAL300012084050	0	43	0.0	-41.08	338.18	8.84	-32.24
CC1=C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)C=CC2=CC=CC=C21	REAL300012084051	0	46	0.0	-30.52	338.22	11.49	-19.03
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012084052	0	55	0.0	-34.67	412.28	10.59	-24.08
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C1CC=CCC1	REAL300012084053	0	43	0.0	-31.76	349.52	11.66	-20.10
COC1=C2C=CNC2=CC=C1C[NH2+]C(C(=O)[O-])C1CC=CCC1	REAL300012084054	0	45	0.0	-29.60	345.06	8.24	-21.36
O=C([O-])C([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C1CC=CCC1	REAL300012084055	0	50	0.0	-34.77	375.50	5.98	-28.79
CC1=CC(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=CN=C1N1C=CC=N1	REAL300012084056	0	46	0.0	-38.28	355.09	10.13	-28.15
COC(=O)C1=CN(C)C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1	REAL300012084057	0	44	0.0	-44.70	349.84	9.07	-35.63
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2CC=CCC2)=C1O	REAL300012084058	0	42	0.0	-30.21	342.78	6.60	-23.61
CC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C(C)=C1	REAL300012084059	0	46	0.0	-26.10	383.76	12.25	-13.85
CC1=CC=C(C)C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084060	0	46	0.0	-25.92	383.78	12.24	-13.68
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1CC2C=CC1C2	REAL300012084061	0	45	0.0	-30.60	367.59	11.57	-19.03
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1CCCCC1	REAL300012084062	0	46	0.0	-29.40	372.24	11.41	-17.99
CC1=CC=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1C	REAL300012084063	0	46	0.0	-26.73	383.12	12.18	-14.55
CC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1C	REAL300012084064	0	46	0.0	-29.67	389.61	12.28	-17.39
N#CC1=CC=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084065	0	41	0.0	-33.94	371.22	11.43	-22.51
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012084066	0	37	0.0	-32.42	359.78	10.84	-21.58
CCC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])O1	REAL300012084067	0	43	0.0	-31.47	374.50	10.78	-20.69
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012084068	0	40	0.0	-29.36	364.48	11.21	-18.15
CCOC1=CC=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084069	0	47	0.0	-29.99	403.87	11.35	-18.64
CC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1F	REAL300012084070	0	43	0.0	-33.38	377.91	11.79	-21.59
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012084071	0	39	0.0	-32.64	355.17	9.61	-23.03
CC1=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])OC=C1	REAL300012084072	0	40	0.0	-30.98	352.49	9.84	-21.14
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012084073	0	43	0.0	-31.18	379.15	11.45	-19.73
CC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])N=C1	REAL300012084074	0	42	0.0	-25.60	367.64	9.90	-15.70
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012084075	0	37	0.0	-28.60	354.52	10.59	-18.01
CCCC1=CC=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084076	0	49	0.0	-29.87	416.90	13.33	-16.54
CC1=CC(C)=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1C	REAL300012084077	0	49	0.0	-28.22	404.44	12.89	-15.33
CC(C)(C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012084078	0	49	0.0	-29.36	399.30	12.77	-16.59
CC1CCC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300012084079	0	49	0.0	-30.75	385.97	11.79	-18.96
CCC1CCCC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C1	REAL300012084080	0	52	0.0	-30.45	410.43	12.62	-17.83
CC1CCCCC1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084081	0	49	0.0	-31.16	383.93	11.68	-19.48
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084082	0	47	0.0	-27.51	402.06	11.14	-16.37
CC1(C)CCC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300012084083	0	52	0.0	-30.52	405.34	12.24	-18.28
COC1(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])CCCCC1	REAL300012084084	0	50	0.0	-26.44	393.39	10.39	-16.05
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012084085	0	43	0.0	-28.53	380.43	11.65	-16.88
CC1=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=CC=C1F	REAL300012084086	0	43	0.0	-30.13	377.95	11.78	-18.35
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012084087	0	44	0.0	-29.61	382.55	11.08	-18.53
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084088	0	46	0.0	-26.81	379.76	12.00	-14.81
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012084089	0	40	0.0	-32.85	365.33	11.26	-21.59
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012084090	0	40	0.0	-35.90	364.41	11.20	-24.70
COC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=N1	REAL300012084091	0	43	0.0	-30.77	378.27	7.77	-23.00
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012084092	0	45	0.0	-31.01	388.44	10.97	-20.04
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012084093	0	44	0.0	-29.00	382.37	11.10	-17.90
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084094	0	43	0.0	-28.14	368.75	11.65	-16.49
CC1=NC(C)=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])S1	REAL300012084095	0	42	0.0	-30.06	377.05	9.55	-20.51
CC1=CC=C(F)C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084096	0	43	0.0	-32.15	378.44	11.84	-20.31
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084097	0	43	0.0	-26.69	368.77	11.64	-15.05
CC1=NC=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084098	0	42	0.0	-29.50	360.92	9.78	-19.72
CC1(C)CCCC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C1	REAL300012084099	0	52	0.0	-30.61	405.34	12.25	-18.36
CC1=CCCC(C)C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084100	0	50	0.0	-29.26	391.50	12.05	-17.21
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012084101	0	44	0.0	-32.78	388.68	12.45	-20.33
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012084102	0	39	0.0	-31.82	364.26	9.76	-22.06
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1CCCCCC1	REAL300012084103	0	49	0.0	-28.93	385.48	11.83	-17.10
COC1=CC=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300012084104	0	43	0.0	-34.29	378.36	7.73	-26.56
CC(C)N1C=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=N1	REAL300012084105	0	46	0.0	-29.85	395.57	10.31	-19.54
COCC1=CC=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084106	0	47	0.0	-30.98	406.25	10.80	-20.18
CC1=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C(C)O1	REAL300012084107	0	43	0.0	-27.12	374.16	10.73	-16.39
COC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012084108	0	44	0.0	-29.99	380.73	10.37	-19.62
CC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])O1	REAL300012084109	0	40	0.0	-31.47	353.02	9.99	-21.48
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CC=C1	REAL300012084110	0	40	0.0	-30.34	352.51	11.12	-19.22
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012084111	0	40	0.0	-29.68	367.92	11.59	-18.09
CC1=CC(C)=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084112	0	46	0.0	-29.95	395.33	12.44	-17.51
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C(CO)O1	REAL300012084113	0	41	0.0	-35.00	364.43	6.65	-28.35
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CS1	REAL300012084114	0	37	0.0	-30.91	342.73	10.23	-20.68
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012084115	0	40	0.0	-23.85	363.10	11.55	-12.30
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012084116	0	48	0.0	-28.45	402.74	11.48	-16.97
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012084117	0	40	0.0	-30.01	369.28	11.64	-18.37
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012084118	0	40	0.0	-30.17	357.64	11.15	-19.02
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012084119	0	40	0.0	-28.41	364.49	11.21	-17.20
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1CC=CCC1	REAL300012084120	0	44	0.0	-29.41	365.91	11.34	-18.07
COC1=CC=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084121	0	44	0.0	-30.31	382.02	10.42	-19.89
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084122	0	47	0.0	-29.43	400.22	12.90	-16.53
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012084123	0	49	0.0	-27.81	411.45	13.00	-14.81
CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084124	0	47	0.0	-27.13	402.52	11.41	-15.72
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012084125	0	47	0.0	-30.45	403.91	11.35	-19.10
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CC=C1F	REAL300012084126	0	40	0.0	-25.11	355.79	11.12	-13.99
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012084127	0	40	0.0	-30.15	357.60	11.15	-19.00
COC1=CC=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084128	0	44	0.0	-29.34	380.70	10.48	-18.86
CC1=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])SC=C1	REAL300012084129	0	40	0.0	-29.72	361.25	10.79	-18.93
CC1=CC=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084130	0	43	0.0	-28.91	367.35	11.73	-17.18
CC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012084131	0	43	0.0	-28.53	373.95	11.80	-16.73
N#CC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012084132	0	41	0.0	-34.79	373.40	11.52	-23.27
CC1=CC=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084133	0	43	0.0	-29.99	373.92	11.79	-18.20
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CSC=C1	REAL300012084134	0	37	0.0	-28.39	342.53	10.06	-18.33
CCC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012084135	0	46	0.0	-28.45	395.43	12.56	-15.89
CC1=CC(C)=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C(C)=C1	REAL300012084136	0	49	0.0	-27.47	406.91	12.83	-14.64
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012084137	0	40	0.0	-28.64	363.18	11.17	-17.47
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012084138	0	40	0.0	-32.95	363.90	11.20	-21.75
CC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])S1	REAL300012084139	0	40	0.0	-26.21	363.34	10.98	-15.23
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084140	0	46	0.0	-30.74	392.32	9.83	-20.91
CCC1=NN(C)C=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084141	0	46	0.0	-31.13	392.24	10.28	-20.85
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CN=C1	REAL300012084142	0	39	0.0	-30.03	347.38	9.34	-20.69
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CO1	REAL300012084143	0	37	0.0	-31.89	331.94	9.21	-22.68
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=NC=C1	REAL300012084144	0	39	0.0	-32.02	345.22	9.27	-22.75
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C(Cl)O1	REAL300012084145	0	37	0.0	-33.19	348.17	9.79	-23.40
CC1=NOC(C)=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084146	0	42	0.0	-30.96	368.36	9.87	-21.09
CC1=NC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=CS1	REAL300012084147	0	39	0.0	-32.43	356.92	8.75	-23.68
CN1C=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=N1	REAL300012084148	0	40	0.0	-32.26	355.32	8.93	-23.33
COC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1C	REAL300012084149	0	47	0.0	-31.48	402.09	11.16	-20.32
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=NC=CN1	REAL300012084150	0	37	0.0	-27.26	330.65	7.80	-19.46
CN1C=CN=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084151	0	40	0.0	-35.46	351.71	9.46	-26.00
CC(C)(C)C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084152	0	42	0.0	-30.19	348.37	10.21	-19.98
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012084153	0	43	0.0	-32.50	377.24	9.73	-22.77
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CN=CN=C1	REAL300012084154	0	38	0.0	-31.68	340.86	9.09	-22.59
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012084155	0	37	0.0	-26.69	356.71	10.62	-16.07
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=NNC=C1	REAL300012084156	0	37	0.0	-34.13	332.43	7.51	-26.62
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=NN1	REAL300012084156	1	37	0.0	-32.84	332.41	7.49	-25.35
NC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012084157	0	44	0.0	-37.77	385.77	7.86	-29.91
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CN=CS1	REAL300012084158	0	36	0.0	-31.05	335.95	8.32	-22.73
CN1C=NC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084159	0	40	0.0	-29.97	350.52	10.18	-19.79
COC1=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=CC=C1C	REAL300012084160	0	47	0.0	-31.14	400.77	11.12	-20.02
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CSC=N1	REAL300012084161	0	36	0.0	-33.09	335.81	8.09	-25.00
CC1=CC=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1F	REAL300012084162	0	43	0.0	-27.30	378.39	11.78	-15.52
N#CC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C(F)=C1	REAL300012084163	0	41	0.0	-31.55	376.75	11.45	-20.10
CC1=NNC(C)=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084164	0	43	0.0	-30.80	373.03	8.65	-22.15
CC1=NNC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084165	0	40	0.0	-32.13	352.01	8.19	-23.94
CC1=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=NN1	REAL300012084165	1	40	0.0	-28.91	351.36	8.18	-20.73
CN1N=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084166	0	40	0.0	-30.26	350.80	8.61	-21.65
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012084167	0	43	0.0	-37.56	379.49	11.62	-25.94
CCC1=NC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=CS1	REAL300012084168	0	42	0.0	-32.13	378.41	9.51	-22.62
CC1=NN(C)C=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084169	0	43	0.0	-30.89	373.58	9.37	-21.52
CCN1C=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=N1	REAL300012084170	0	43	0.0	-32.74	375.58	9.75	-22.99
CN1C=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])N=N1	REAL300012084171	0	39	0.0	-30.04	349.36	7.62	-22.42
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084172	0	44	0.0	-34.53	387.06	7.89	-26.64
CN1C=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300012084173	0	40	0.0	-27.68	354.10	8.79	-18.89
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1CCCCCCC1	REAL300012084174	0	52	0.0	-27.94	393.85	12.25	-15.69
CC1=CSC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300012084175	0	39	0.0	-30.51	357.82	8.81	-21.70
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012084176	0	47	0.0	-30.53	398.05	13.03	-17.50
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=COC=N1	REAL300012084177	0	36	0.0	-35.25	325.77	5.64	-29.61
CCN1N=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084178	0	43	0.0	-29.06	368.90	9.60	-19.46
CC1=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])SC=N1	REAL300012084179	0	39	0.0	-28.48	356.07	8.86	-19.62
CC1=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=CS1	REAL300012084180	0	40	0.0	-28.52	357.60	10.76	-17.76
N#CC1=CC=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300012084181	0	40	0.0	-31.13	368.49	9.58	-21.55
COCC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])O1	REAL300012084182	0	44	0.0	-34.76	388.84	9.13	-25.63
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084183	0	42	0.0	-31.45	367.54	9.83	-21.62
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084184	0	47	0.0	-26.57	399.92	11.06	-15.51
CC1=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=CS1	REAL300012084185	0	40	0.0	-28.61	364.42	10.87	-17.74
CC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])N=N1	REAL300012084186	0	41	0.0	-27.97	362.75	8.78	-19.19
CN1N=NC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084187	0	39	0.0	-35.03	345.96	7.45	-27.58
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012084188	0	37	0.0	-29.90	358.30	10.70	-19.20
CC1=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])N(C)N=C1	REAL300012084189	0	43	0.0	-30.37	371.27	9.22	-21.15
COCC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012084190	0	47	0.0	-30.42	407.61	10.85	-19.57
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012084191	0	47	0.0	-28.11	400.45	13.18	-14.93
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012084192	0	36	0.0	-30.67	354.40	8.87	-21.80
C=CN1C=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=N1	REAL300012084193	0	41	0.0	-30.93	365.83	10.09	-20.84
CC1=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=NN1C	REAL300012084194	0	43	0.0	-33.32	369.96	9.30	-24.02
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012084195	0	45	0.0	-32.68	392.35	10.70	-21.98
N#CC1=CSC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084196	0	38	0.0	-34.62	362.46	10.60	-24.02
CC1=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=CC=C1C#N	REAL300012084197	0	44	0.0	-35.81	391.20	11.97	-23.84
CC1=CN=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])S1	REAL300012084198	0	39	0.0	-30.59	359.25	9.05	-21.54
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012084199	0	47	0.0	-27.97	395.54	13.11	-14.86
CCC1=CN=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])S1	REAL300012084200	0	42	0.0	-30.25	380.74	9.83	-20.42
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012084201	0	40	0.0	-28.41	366.70	8.93	-19.48
CCN1N=C(C)C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300012084202	0	45	0.0	-32.07	390.38	8.67	-23.40
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012084203	0	47	0.0	-28.92	401.76	13.22	-15.70
CC1=NN(C)C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084204	0	43	0.0	-30.90	373.79	9.23	-21.67
N#CC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1F	REAL300012084205	0	41	0.0	-37.77	379.27	11.56	-26.21
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084206	0	49	0.0	-27.00	404.04	12.82	-14.18
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012084207	0	47	0.0	-32.49	394.96	10.37	-22.12
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012084208	0	42	0.0	-30.18	375.16	9.91	-20.27
CCC1=CC=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084209	0	46	0.0	-27.97	394.12	12.51	-15.46
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012084210	0	47	0.0	-28.95	395.39	13.01	-15.94
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012084211	0	44	0.0	-30.04	377.70	9.68	-20.36
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012084212	0	47	0.0	-28.35	405.17	11.09	-17.26
COC1=NC=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084213	0	43	0.0	-32.06	378.33	7.89	-24.17
CCCN1N=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084214	0	46	0.0	-28.66	384.50	10.15	-18.51
CC(C)C1=CC=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084215	0	49	0.0	-29.75	412.73	13.04	-16.71
CN1C=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C(Cl)=N1	REAL300012084216	0	40	0.0	-34.43	369.76	9.26	-25.17
CC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C(F)=C1	REAL300012084217	0	43	0.0	-27.20	379.49	11.82	-15.38
CC1=C(C)C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=CS1	REAL300012084218	0	43	0.0	-28.80	379.10	11.45	-17.35
CC1=COC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084219	0	40	0.0	-27.38	353.88	9.89	-17.49
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012084220	0	39	0.0	-25.87	362.95	9.74	-16.13
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012084222	0	43	0.0	-31.23	383.48	9.92	-21.31
CCCC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012084223	0	49	0.0	-28.42	416.93	13.34	-15.08
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=NC=CS1	REAL300012084224	0	36	0.0	-27.70	335.98	8.22	-19.48
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012084225	0	43	0.0	-31.68	378.12	9.70	-21.98
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012084225	1	43	0.0	-26.76	378.32	9.71	-17.05
CCC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])S1	REAL300012084226	0	43	0.0	-26.08	384.82	11.75	-14.33
CCC1=NC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])S1	REAL300012084227	0	42	0.0	-29.22	380.74	9.83	-19.39
COC1=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])SC=C1	REAL300012084228	0	41	0.0	-28.02	371.34	9.48	-18.54
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CSC=C1Cl	REAL300012084229	0	37	0.0	-28.27	355.63	10.48	-17.79
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1CC2CCC1C2	REAL300012084230	0	47	0.0	-30.48	372.92	11.54	-18.94
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C(F)N=C1	REAL300012084231	0	39	0.0	-32.74	353.81	9.28	-23.46
CC1(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])CCC1	REAL300012084232	0	43	0.0	-29.68	354.22	10.70	-18.98
CC1(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300012084233	0	40	0.0	-27.82	339.66	10.42	-17.40
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1(C(F)F)CC1	REAL300012084234	0	40	0.0	-30.79	350.86	10.63	-20.16
CC1=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])NN=C1	REAL300012084235	0	40	0.0	-31.79	351.54	8.16	-23.63
CC1=CNN=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084235	1	40	0.0	-31.19	351.00	8.08	-23.11
CC1=CN=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])N1C	REAL300012084236	0	43	0.0	-25.55	370.47	9.89	-15.66
CCC1=NOC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084237	0	42	0.0	-31.78	368.60	9.85	-21.93
CN1N=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1Cl	REAL300012084238	0	40	0.0	-29.45	371.17	9.25	-20.20
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012084239	0	42	0.0	-38.87	373.01	8.52	-30.35
CC1=CN=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084240	0	42	0.0	-31.15	362.67	9.96	-21.19
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012084241	0	47	0.0	-31.82	399.54	13.15	-18.67
CC(C)N1C=CN=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084242	0	46	0.0	-33.57	392.05	10.89	-22.68
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084243	0	47	0.0	-30.55	401.90	10.72	-19.83
CC1=NC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])N1C	REAL300012084244	0	43	0.0	-32.51	370.90	10.00	-22.51
CC1=NC=CN=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084245	0	41	0.0	-31.73	358.20	7.88	-23.85
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012084246	0	39	0.0	-30.70	355.87	9.71	-20.99
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012084247	0	43	0.0	-31.35	378.68	9.82	-21.53
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084248	0	48	0.0	-32.23	390.74	11.44	-20.79
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=NC(F)=C1	REAL300012084249	0	39	0.0	-34.90	352.53	9.25	-25.65
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012084250	0	44	0.0	-32.79	383.89	11.14	-21.65
CCCN1C=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])N=N1	REAL300012084251	0	45	0.0	-29.42	392.28	9.22	-20.20
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012084252	0	44	0.0	-26.99	383.92	11.77	-15.22
CC1=NSC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084253	0	39	0.0	-28.65	357.78	9.50	-19.15
CCN1N=CN=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084254	0	42	0.0	-33.98	365.70	10.27	-23.71
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012084255	0	43	0.0	-33.66	381.24	8.42	-25.24
CCC1=CNC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300012084256	0	43	0.0	-35.18	373.14	9.11	-26.07
CCC1=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C(C)=NO1	REAL300012084257	0	45	0.0	-29.41	387.21	10.71	-18.70
CCN1C=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])N=N1	REAL300012084258	0	42	0.0	-39.76	369.41	8.42	-31.34
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])O1	REAL300012084259	0	44	0.0	-32.26	385.97	10.55	-21.71
CCN1C=NC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084260	0	43	0.0	-35.61	376.39	11.29	-24.32
CC1=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=CN=C1F	REAL300012084261	0	42	0.0	-33.33	372.83	9.86	-23.47
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084262	0	42	0.0	-29.78	364.15	9.74	-20.04
COC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C(C)=C1	REAL300012084263	0	47	0.0	-27.99	391.85	10.87	-17.12
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012084264	0	45	0.0	-30.70	386.98	10.91	-19.79
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084265	0	47	0.0	-28.79	396.96	10.51	-18.28
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012084266	0	47	0.0	-28.89	397.45	10.79	-18.10
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012084267	0	47	0.0	-29.15	399.39	10.86	-18.29
COC1=CC=C(C)C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084268	0	47	0.0	-27.01	393.52	10.93	-16.08
CCC1=CC=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084269	0	46	0.0	-28.33	386.00	12.39	-15.94
CC1=CC(F)=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084270	0	43	0.0	-33.22	380.33	11.85	-21.37
CC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C(C)=C1C	REAL300012084271	0	49	0.0	-28.78	402.07	12.84	-15.94
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012084272	0	43	0.0	-31.05	379.28	10.69	-20.36
COC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])O1	REAL300012084273	0	41	0.0	-32.53	364.12	9.61	-22.92
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012084274	0	43	0.0	-28.10	382.23	9.79	-18.31
CCN1C=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C(C)=N1	REAL300012084275	0	46	0.0	-31.24	394.54	10.31	-20.93
CN1C=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012084276	0	47	0.0	-30.96	407.39	11.10	-19.86
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084277	0	47	0.0	-31.41	404.88	10.77	-20.64
CC(C)C1=NOC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084278	0	45	0.0	-32.32	390.78	10.40	-21.92
CC1=C(C)SC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300012084279	0	42	0.0	-27.35	376.67	9.52	-17.83
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CSN=C1	REAL300012084280	0	36	0.0	-30.42	335.74	8.72	-21.70
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012084281	0	45	0.0	-30.43	387.05	10.92	-19.51
CN1C=C(Cl)C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300012084282	0	40	0.0	-28.48	371.99	9.32	-19.16
CC1=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=CC(C)=N1	REAL300012084283	0	45	0.0	-30.51	389.34	10.53	-19.98
CCN1C=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300012084284	0	43	0.0	-27.42	375.64	9.66	-17.76
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012084285	0	42	0.0	-35.51	375.15	9.85	-25.66
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012084287	0	47	0.0	-31.97	399.63	10.02	-21.95
CCCN1C=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300012084288	0	46	0.0	-27.16	397.14	10.42	-16.74
CC(C)N1C=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300012084289	0	46	0.0	-27.17	395.63	10.20	-16.97
COC1=NN(C)C=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084290	0	44	0.0	-29.75	388.23	6.86	-22.89
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012084291	0	47	0.0	-31.10	394.64	11.87	-19.23
CCCN1C=NC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084293	0	46	0.0	-29.62	382.10	11.70	-17.92
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CNC1=O	REAL300012084294	0	40	0.0	-43.89	356.14	8.03	-35.86
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012084295	0	44	0.0	-31.88	382.79	9.53	-22.35
COC1=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=CS1	REAL300012084296	0	41	0.0	-26.87	371.90	9.46	-17.41
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084297	0	47	0.0	-28.58	399.64	12.99	-15.59
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012084298	0	44	0.0	-31.05	382.27	12.38	-18.67
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012084299	0	43	0.0	-32.38	379.00	9.14	-23.24
COCC1=CC=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084300	0	47	0.0	-27.97	396.79	10.88	-17.09
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012084301	0	44	0.0	-31.15	386.99	6.39	-24.76
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012084302	0	43	0.0	-35.31	377.25	10.62	-24.69
C=CC1=CC=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300012084303	0	44	0.0	-28.47	382.35	12.17	-16.30
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012084304	0	37	0.0	-29.64	358.22	10.64	-19.00
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012084305	0	47	0.0	-32.58	398.58	10.72	-21.86
CC1=CN(C)C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300012084306	0	43	0.0	-26.47	374.13	10.09	-16.38
CC1=NSC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084307	0	39	0.0	-30.63	352.37	9.18	-21.45
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012084308	0	43	0.0	-36.79	378.80	9.83	-26.96
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084309	0	43	0.0	-29.23	369.02	11.58	-17.65
CC(C)N1C=NC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084310	0	46	0.0	-34.45	394.69	11.63	-22.82
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300012084311	0	41	0.0	-36.76	379.78	11.57	-25.19
CC1=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=NS1	REAL300012084312	0	39	0.0	-28.46	352.00	9.44	-19.02
CC1=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=NO1	REAL300012084313	0	39	0.0	-33.74	346.40	9.34	-24.40
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012084314	0	43	0.0	-30.20	379.21	11.90	-18.30
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC=CC=C1CO	REAL300012084315	0	44	0.0	-30.36	376.70	8.55	-21.81
CC1=NSC(C)=C1C[NH2+]C(CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012084316	0	42	0.0	-30.97	375.08	9.96	-21.01
C=CCN1C=C(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])C=N1	REAL300012084317	0	44	0.0	-29.99	388.38	10.30	-19.69
O=C([O-])C(CC1=CC=C(SC(F)(F)F)C=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012084318	0	43	0.0	-33.11	376.61	9.75	-23.36
CC1=NC(C[NH2+]C(CC2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])=C(C)S1	REAL300012084319	0	42	0.0	-31.25	378.02	9.52	-21.73
CC1=CC=C(N2C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300012084320	0	51	0.0	-58.50	400.29	11.12	-47.38
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300012084321	0	47	0.0	-63.66	395.57	10.04	-53.62
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084322	0	39	0.0	-58.64	354.59	8.92	-49.72
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012084323	0	46	0.0	-60.57	390.49	11.44	-49.13
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012084324	0	47	0.0	-63.37	412.13	10.56	-52.81
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OCC1=CC=C(F)C=C1	REAL300012084325	0	47	0.0	-64.01	401.81	10.11	-53.90
COC1=CC=C(C(=O)NC2=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C2)C=C1	REAL300012084326	0	47	0.0	-67.59	396.55	8.17	-59.42
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(NC(=O)C2=CC=CC=C2Cl)=CC=C1	REAL300012084327	0	43	0.0	-67.64	379.21	9.40	-58.24
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084328	0	39	0.0	-61.97	333.37	8.67	-53.30
N#CCCN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012084329	0	43	0.0	-64.45	376.77	9.41	-55.04
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OC(F)F	REAL300012084330	0	37	0.0	-63.45	323.39	6.35	-57.10
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012084331	0	45	0.0	-61.25	385.12	9.66	-51.59
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1	REAL300012084332	0	36	0.0	-59.35	336.42	9.38	-49.97
CCOC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC(Br)=C1OC	REAL300012084333	0	40	0.0	-64.26	359.83	7.73	-56.53
CCOC1=C(Br)C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084334	0	40	0.0	-64.23	360.01	7.76	-56.47
C=CCOC1=C(Br)C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084335	0	41	0.0	-64.49	372.73	8.34	-56.15
CCCOC1=C(Br)C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084336	0	43	0.0	-64.15	381.51	8.57	-55.58
CCCOC1=CC=C(Br)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084337	0	39	0.0	-53.43	347.85	8.58	-44.85
CCOC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OC	REAL300012084338	0	40	0.0	-61.96	335.48	6.98	-54.98
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012084339	0	43	0.0	-52.58	364.73	10.22	-42.36
CCCCCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084340	0	45	0.0	-58.02	370.74	9.46	-48.56
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012084341	0	38	0.0	-65.26	343.33	9.42	-55.84
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012084342	0	38	0.0	-65.91	343.49	9.42	-56.49
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1Br	REAL300012084343	0	33	0.0	-61.28	304.80	6.83	-54.45
CCCCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084344	0	46	0.0	-61.84	378.66	8.56	-53.28
CCCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084345	0	43	0.0	-61.79	356.98	7.79	-54.00
C=CCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084346	0	41	0.0	-62.37	348.57	7.56	-54.81
CCCCCCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084347	0	52	0.0	-61.71	421.66	10.12	-51.59
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012084348	0	36	0.0	-59.24	331.86	9.27	-49.97
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012084349	0	36	0.0	-58.27	332.20	9.31	-48.96
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1	REAL300012084350	0	36	0.0	-59.08	336.43	9.38	-49.70
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012084351	0	36	0.0	-58.34	339.63	10.16	-48.18
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012084352	0	39	0.0	-61.02	339.31	8.53	-52.49
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC(OC)=C1OCC1=CC=CC=C1	REAL300012084353	0	51	0.0	-66.54	428.55	9.97	-56.57
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012084354	0	38	0.0	-63.31	339.39	10.04	-53.27
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC=C3OCCCOC3=C2)=N1	REAL300012084355	0	48	0.0	-64.20	397.19	7.97	-56.23
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012084356	0	35	0.0	-57.49	326.14	7.72	-49.77
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012084357	0	33	0.0	-55.30	299.47	6.74	-48.56
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012084358	0	33	0.0	-60.80	311.28	8.33	-52.47
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012084359	0	36	0.0	-61.76	315.07	4.56	-57.20
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012084360	0	33	0.0	-60.80	300.88	6.66	-54.14
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012084361	0	38	0.0	-64.66	350.91	10.32	-54.34
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012084362	0	38	0.0	-62.53	351.71	10.36	-52.17
O=C([O-])C(F)(F)CC[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012084363	0	36	0.0	-61.83	317.86	6.79	-55.04
CC1=CC=C(C2=NNC=C2C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084364	0	39	0.0	-59.03	332.64	7.39	-51.64
O=C([O-])C(F)(F)CC[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012084365	0	33	0.0	-56.23	298.63	6.00	-50.23
COC1=CC=C(C2=NNC=C2C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084366	0	40	0.0	-60.72	340.88	6.01	-54.71
CCOC1=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012084367	0	48	0.0	-53.76	381.22	6.96	-46.80
CC1=CC=C(C2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])O2)C=C1	REAL300012084368	0	39	0.0	-58.16	336.53	9.43	-48.73
O=C([O-])C(F)(F)CC[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012084369	0	42	0.0	-63.51	355.75	5.89	-57.62
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012084370	0	44	0.0	-60.89	363.21	7.48	-53.41
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012084371	0	36	0.0	-58.86	329.31	9.71	-49.15
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012084372	0	42	0.0	-55.91	357.57	8.52	-47.39
COC1=NC2=CC=CC=C2C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084373	0	38	0.0	-58.97	325.75	5.88	-53.09
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)S1	REAL300012084374	0	36	0.0	-58.28	344.02	10.27	-48.01
CC(C)N1N=CC2=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C(Cl)N=C21	REAL300012084375	0	40	0.0	-62.64	353.71	7.98	-54.66
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012084376	0	36	0.0	-57.20	339.74	10.16	-47.04
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300012084377	0	46	0.0	-65.53	390.46	8.27	-57.26
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012084378	0	36	0.0	-57.92	331.94	9.82	-48.10
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2Br)S1	REAL300012084379	0	36	0.0	-56.98	343.11	10.24	-46.74
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012084380	0	32	0.0	-55.73	305.65	8.34	-47.39
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012084381	0	32	0.0	-66.46	299.39	7.92	-58.54
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012084382	0	32	0.0	-60.84	290.01	7.99	-52.85
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012084383	0	32	0.0	-63.78	300.02	7.93	-55.85
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012084384	0	32	0.0	-57.25	298.14	7.91	-49.34
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(Cl)=C1OC	REAL300012084385	0	37	0.0	-58.59	329.50	6.65	-51.94
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084386	0	45	0.0	-57.62	390.39	10.15	-47.47
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)S1	REAL300012084387	0	36	0.0	-58.38	344.21	10.26	-48.12
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012084388	0	33	0.0	-58.01	309.51	7.02	-50.99
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012084389	0	36	0.0	-58.42	339.64	10.15	-48.27
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C2)=C1	REAL300012084390	0	44	0.0	-61.60	387.20	10.53	-51.07
O=C([O-])C(F)(F)CC[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012084391	0	39	0.0	-64.77	337.38	5.38	-59.39
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012084392	0	40	0.0	-65.49	355.24	7.44	-58.05
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012084393	0	42	0.0	-61.99	361.03	8.39	-53.60
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012084394	0	35	0.0	-62.39	319.92	6.68	-55.71
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=C2OCCCOC2=C1	REAL300012084395	0	38	0.0	-63.70	338.18	7.47	-56.23
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012084396	0	39	0.0	-66.97	354.41	9.03	-57.94
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084397	0	38	0.0	-55.72	335.16	6.81	-48.91
COCCOC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084398	0	40	0.0	-58.49	340.05	6.36	-52.13
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012084399	0	34	0.0	-59.13	315.33	5.79	-53.34
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084400	0	41	0.0	-60.49	336.45	8.43	-52.06
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=N1	REAL300012084401	0	45	0.0	-65.88	373.00	6.80	-59.08
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012084402	0	36	0.0	-59.65	326.00	7.55	-52.10
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012084403	0	38	0.0	-57.09	314.70	6.89	-50.20
CCCN1C2=CC=CC=C2N=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084404	0	41	0.0	-59.57	340.91	8.94	-50.63
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012084405	0	36	0.0	-57.43	320.93	9.45	-47.98
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012084406	0	43	0.0	-56.73	349.61	9.09	-47.64
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012084407	0	42	0.0	-57.37	363.94	8.88	-48.49
CC1=CC=C(C2=NC(C[NH2+]CCC(F)(F)C(=O)[O-])=CS2)C=C1	REAL300012084408	0	38	0.0	-56.02	341.13	8.33	-47.69
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012084409	0	43	0.0	-59.06	369.87	10.31	-48.75
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012084410	0	39	0.0	-57.83	351.32	7.19	-50.64
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012084411	0	38	0.0	-58.66	358.60	8.66	-50.00
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1	REAL300012084412	0	39	0.0	-58.40	368.23	7.69	-50.71
CC1=CC=C(OCC2=NC(C[NH2+]CCC(F)(F)C(=O)[O-])=CS2)C=C1	REAL300012084413	0	42	0.0	-58.00	372.90	7.85	-50.15
COC1=CC=C(OCC2=NC(C[NH2+]CCC(F)(F)C(=O)[O-])=CS2)C=C1	REAL300012084414	0	43	0.0	-59.40	380.99	6.47	-52.93
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012084415	0	32	0.0	-56.09	310.94	6.59	-49.50
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012084416	0	36	0.0	-59.24	329.32	9.71	-49.53
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084417	0	43	0.0	-57.20	361.90	7.75	-49.45
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012084418	0	43	0.0	-51.55	348.60	9.14	-42.41
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084419	0	46	0.0	-56.99	387.21	7.79	-49.20
CC1=CC=C(C2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])S2)C=C1	REAL300012084420	0	39	0.0	-57.19	344.13	10.32	-46.87
COC1=CC(OC)=CC(OC2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2)=C1	REAL300012084421	0	48	0.0	-62.21	404.47	8.40	-53.81
O=C([O-])C(F)(F)CC[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012084422	0	35	0.0	-65.48	320.99	7.17	-58.31
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084423	0	33	0.0	-57.54	317.39	7.30	-50.24
CCOCCOC1=CC=C(Br)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084424	0	43	0.0	-53.78	381.66	8.01	-45.77
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012084425	0	29	0.0	-54.01	288.88	7.93	-46.08
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012084426	0	29	0.0	-53.45	287.89	7.93	-45.52
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012084427	0	40	0.0	-59.80	356.40	9.86	-49.94
CCOC1=C(OC)C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084428	0	44	0.0	-65.59	368.83	6.92	-58.67
COCCCOC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084429	0	43	0.0	-58.68	361.59	6.96	-51.72
COC1=CC=C(OC(F)F)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084430	0	37	0.0	-57.16	322.25	5.79	-51.37
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(Br)=C1OC(F)F	REAL300012084431	0	33	0.0	-57.26	310.84	7.11	-50.15
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012084432	0	33	0.0	-52.28	306.86	6.91	-45.37
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012084433	0	49	0.0	-58.27	409.15	11.70	-46.57
CC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012084434	0	42	0.0	-61.21	360.36	8.74	-52.47
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012084435	0	47	0.0	-56.89	396.58	8.16	-48.73
CC1=CC=C(C2=NC=C(C[NH2+]CCC(F)(F)C(=O)[O-])S2)C=C1	REAL300012084436	0	38	0.0	-59.19	341.49	8.56	-50.63
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012084437	0	34	0.0	-53.33	311.58	7.91	-45.42
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012084438	0	34	0.0	-55.41	309.11	7.83	-47.58
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012084439	0	36	0.0	-59.64	329.80	8.92	-50.72
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])O1	REAL300012084440	0	39	0.0	-59.49	342.08	9.50	-49.99
CCC1=CC=C(C2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])O2)C=C1	REAL300012084441	0	42	0.0	-58.07	358.01	10.20	-47.87
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(OC(F)F)=C1	REAL300012084442	0	37	0.0	-59.99	322.43	5.80	-54.19
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012084443	0	37	0.0	-60.98	321.65	8.63	-52.35
CC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1Br	REAL300012084444	0	32	0.0	-58.39	294.56	8.05	-50.34
CC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1Br	REAL300012084445	0	32	0.0	-59.62	294.38	8.05	-51.57
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012084446	0	34	0.0	-54.42	307.56	7.22	-47.20
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])O2)C=C1	REAL300012084447	0	48	0.0	-57.77	391.24	11.07	-46.70
CC1=CC=C(C)C(OC2=CC=CC(Cl)=C2C[NH2+]CCC(F)(F)C(=O)[O-])=C1C	REAL300012084448	0	49	0.0	-49.35	414.65	12.14	-37.21
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084449	0	49	0.0	-54.05	390.74	10.02	-44.03
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084450	0	49	0.0	-53.82	396.17	10.01	-43.81
CC1=CC=CC(COC2=C(C)C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2C)=C1	REAL300012084451	0	52	0.0	-59.96	429.55	12.33	-47.63
CC1=CC=CC=C1COC1=C(C)C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1C	REAL300012084452	0	52	0.0	-59.97	424.32	12.35	-47.62
CC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300012084453	0	49	0.0	-59.37	421.27	12.25	-47.12
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084454	0	47	0.0	-59.48	389.88	11.63	-47.85
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084455	0	45	0.0	-60.72	393.85	9.99	-50.73
CCN(CC)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1F	REAL300012084456	0	43	0.0	-61.15	354.34	7.92	-53.23
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C(SC)C=C1OC	REAL300012084457	0	41	0.0	-56.39	349.42	7.00	-49.39
COC1=CC=C2N=C(C[NH2+]CCC(F)(F)C(=O)[O-])SC2=C1	REAL300012084458	0	35	0.0	-58.81	316.71	5.68	-53.13
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084459	0	35	0.0	-62.52	318.02	7.72	-54.80
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012084460	0	33	0.0	-60.05	304.70	8.13	-51.92
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012084461	0	33	0.0	-64.35	300.55	6.51	-57.84
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084462	0	35	0.0	-60.68	308.92	8.52	-52.16
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC(Cl)=C1OC	REAL300012084463	0	37	0.0	-64.64	333.77	6.70	-57.94
CCOC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OC(C)C(=O)N(C)C	REAL300012084464	0	53	0.0	-73.75	428.90	8.78	-64.97
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=CC=C1OC(F)F	REAL300012084465	0	33	0.0	-57.96	314.08	7.13	-50.83
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084466	0	45	0.0	-56.46	395.34	10.02	-46.44
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OCC(C)C	REAL300012084467	0	46	0.0	-61.54	377.27	8.46	-53.08
CCCOC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OC	REAL300012084468	0	43	0.0	-61.70	356.98	7.79	-53.91
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)S1	REAL300012084469	0	26	0.0	-58.18	266.96	6.70	-51.48
CCOC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC(Cl)=C1OC	REAL300012084470	0	40	0.0	-64.56	355.63	7.62	-56.94
COC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1OC(C)C	REAL300012084471	0	43	0.0	-55.08	352.89	7.90	-47.18
CCOC1=C(Cl)C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084472	0	40	0.0	-64.43	355.45	7.66	-56.77
CCCOC1=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=CC=C1OCC	REAL300012084473	0	46	0.0	-55.17	379.05	8.79	-46.38
CCCCOC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OC	REAL300012084474	0	46	0.0	-61.81	378.66	8.56	-53.25
CCCOC1=C(Cl)C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OCC	REAL300012084475	0	46	0.0	-64.24	398.98	9.37	-54.87
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084476	0	45	0.0	-57.29	390.10	10.47	-46.82
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC(F)F	REAL300012084477	0	37	0.0	-60.43	323.39	6.36	-54.07
CCOC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OC(F)F	REAL300012084478	0	40	0.0	-63.30	345.24	7.27	-56.03
CC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012084479	0	39	0.0	-60.43	332.20	7.86	-52.57
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300012084480	0	35	0.0	-57.29	341.21	8.27	-49.02
CCOC1=CC2=C(C=C1C[NH2+]CCC(F)(F)C(=O)[O-])OC(C)C2	REAL300012084481	0	44	0.0	-53.47	361.96	7.75	-45.72
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC2=C1OCCO2	REAL300012084482	0	39	0.0	-63.88	328.76	5.89	-57.99
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012084483	0	38	0.0	-64.02	349.37	8.29	-55.73
CCCCN1N=C(C)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1Cl	REAL300012084484	0	41	0.0	-55.51	357.84	7.92	-47.59
CCOC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1OC(F)F	REAL300012084485	0	40	0.0	-55.99	343.91	7.36	-48.63
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012084486	0	47	0.0	-57.11	389.16	9.03	-48.08
CC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]CCC(F)(F)C(=O)[O-])C=C1C	REAL300012084487	0	52	0.0	-60.32	428.61	12.65	-47.67
CC1=CC=CC(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084488	0	52	0.0	-60.34	436.99	12.56	-47.78
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300012084489	0	49	0.0	-60.29	415.77	11.89	-48.40
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012084490	0	36	0.0	-57.14	322.73	9.65	-47.49
CCCOC1=C(Cl)C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084491	0	43	0.0	-64.34	377.12	8.45	-55.89
CC1=CC=C(C2=NN(CC3=CC=CC=C3)C=C2C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084492	0	52	0.0	-59.91	437.20	12.58	-47.33
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084493	0	51	0.0	-57.78	405.29	10.91	-46.87
CC(C)(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084494	0	48	0.0	-54.97	398.33	10.58	-44.39
CC(C)C1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084495	0	48	0.0	-56.03	415.82	10.65	-45.38
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012084496	0	36	0.0	-61.76	329.83	8.94	-52.82
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084497	0	52	0.0	-59.75	423.67	9.34	-50.41
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012084498	0	45	0.0	-59.54	361.72	8.41	-51.13
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084499	0	48	0.0	-61.00	392.93	11.18	-49.82
CC1(C)CCC2=C(C1)SC(C[NH2+]CCC(F)(F)C(=O)[O-])=N2	REAL300012084500	0	41	0.0	-54.56	339.29	7.52	-47.04
O=C([O-])C(F)(F)CC[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012084501	0	36	0.0	-60.79	327.99	7.25	-53.54
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OCC1=C(C)ON=C1C	REAL300012084502	0	49	0.0	-67.37	412.86	8.81	-58.56
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012084503	0	36	0.0	-59.28	323.74	8.87	-50.41
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012084504	0	35	0.0	-62.51	315.35	6.56	-55.95
CCCCC1=C(C[NH2+]CCC(F)(F)C(=O)[O-])C2=CC=CC=C2O1	REAL300012084505	0	44	0.0	-58.86	367.83	10.34	-48.52
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012084506	0	42	0.0	-67.71	361.97	11.53	-56.18
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300012084507	0	44	0.0	-63.36	385.62	9.11	-54.25
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084508	0	42	0.0	-62.03	356.64	9.01	-53.02
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012084509	0	38	0.0	-64.05	333.97	7.35	-56.70
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300012084510	0	43	0.0	-58.56	379.50	10.73	-47.83
O=C([O-])C(F)(F)CC[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012084511	0	38	0.0	-58.96	306.44	7.87	-51.09
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012084512	0	36	0.0	-67.21	332.04	7.63	-59.58
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012084513	0	35	0.0	-64.80	331.51	7.46	-57.34
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012084514	0	35	0.0	-63.29	330.38	7.27	-56.02
CC1=CC(Br)=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1OC(F)F	REAL300012084515	0	36	0.0	-55.00	331.59	7.79	-47.21
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012084516	0	26	0.0	-60.11	282.61	7.17	-52.94
CC1=CC=C(SC2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012084517	0	45	0.0	-73.78	398.73	12.05	-61.73
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012084518	0	46	0.0	-72.39	390.42	11.82	-60.57
COC1=CC=C(C2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300012084519	0	42	0.0	-64.38	368.90	9.33	-55.05
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012084520	0	36	0.0	-60.63	347.01	9.72	-50.91
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1	REAL300012084521	0	42	0.0	-75.41	376.18	11.08	-64.33
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084522	0	42	0.0	-56.37	373.71	9.35	-47.02
CC1=NN(CC2=CC=CC=C2Cl)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084523	0	42	0.0	-57.06	388.96	9.85	-47.21
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CS1	REAL300012084524	0	46	0.0	-57.40	403.12	11.18	-46.22
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300012084525	0	48	0.0	-61.20	410.56	10.12	-51.08
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084526	0	39	0.0	-58.04	365.00	9.36	-48.68
CC1=NN(CC2=CC=C(Cl)C=C2)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084527	0	42	0.0	-57.19	390.66	9.87	-47.32
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OC(C)C	REAL300012084528	0	43	0.0	-61.84	353.59	7.60	-54.24
CCCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OCC	REAL300012084529	0	46	0.0	-61.70	378.84	8.71	-52.99
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084530	0	42	0.0	-57.76	380.34	9.41	-48.35
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C(Br)=C1	REAL300012084531	0	29	0.0	-62.52	295.14	8.03	-54.49
CCCCCCCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084532	0	51	0.0	-58.15	413.92	11.01	-47.14
CC(C[NH2+]CCC(F)(F)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012084533	0	50	0.0	-56.53	387.98	11.22	-45.31
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Br)C=CS1	REAL300012084534	0	26	0.0	-52.15	264.56	6.50	-45.65
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012084535	0	42	0.0	-54.19	339.45	6.43	-47.76
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(F)=CC=C1Br	REAL300012084536	0	29	0.0	-54.19	277.74	7.48	-46.71
CC1=CC=C(C2=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C2)C=C1	REAL300012084537	0	42	0.0	-58.55	350.50	10.95	-47.60
COC1=CC=C(Br)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084538	0	33	0.0	-52.37	299.95	6.75	-45.62
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012084539	0	35	0.0	-72.49	310.59	7.60	-64.89
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084540	0	42	0.0	-57.87	350.94	10.95	-46.92
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012084541	0	35	0.0	-65.40	332.86	8.87	-56.53
CCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OCC	REAL300012084542	0	43	0.0	-61.86	357.34	7.91	-53.95
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012084543	0	32	0.0	-65.39	306.78	8.28	-57.11
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(F)C=C1Br	REAL300012084544	0	29	0.0	-56.40	277.76	7.48	-48.92
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012084545	0	33	0.0	-60.50	301.06	6.66	-53.84
COC1=CC=CC=C1C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084546	0	43	0.0	-58.96	363.09	9.93	-49.03
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012084547	0	39	0.0	-60.22	354.17	9.76	-50.46
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C2=CC=CC=C12	REAL300012084548	0	39	0.0	-59.27	324.39	8.35	-50.92
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(Br)=C1O	REAL300012084549	0	34	0.0	-57.84	310.66	4.58	-53.26
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(Br)=C1	REAL300012084550	0	26	0.0	-58.90	266.72	6.54	-52.36
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300012084551	0	46	0.0	-66.17	390.23	8.25	-57.92
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300012084552	0	36	0.0	-59.90	354.79	10.61	-49.29
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300012084553	0	42	0.0	-58.07	376.35	8.95	-49.12
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300012084554	0	47	0.0	-57.09	386.10	9.47	-47.62
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012084555	0	39	0.0	-58.58	329.10	10.27	-48.31
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012084556	0	42	0.0	-55.13	359.75	8.43	-46.70
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012084557	0	29	0.0	-63.75	281.89	7.53	-56.22
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012084558	0	38	0.0	-57.96	326.79	8.74	-49.22
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012084559	0	38	0.0	-60.59	324.11	8.51	-52.08
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012084560	0	38	0.0	-62.01	324.30	8.52	-53.49
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084561	0	44	0.0	-58.08	349.06	7.41	-50.67
CN1CCN(C2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2)CC1	REAL300012084562	1	46	0.0	-57.25	364.10	5.57	-51.68
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012084563	0	38	0.0	-63.39	336.40	5.36	-58.03
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012084564	0	36	0.0	-63.85	320.31	8.14	-55.71
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084565	0	42	0.0	-61.72	367.14	9.46	-52.26
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012084566	0	36	0.0	-63.31	330.62	8.60	-54.71
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084567	0	42	0.0	-64.53	365.86	9.21	-55.32
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1	REAL300012084568	0	36	0.0	-57.02	358.92	8.79	-48.23
CC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300012084569	0	48	0.0	-61.01	400.72	9.96	-51.05
COC1=CC=CC(COC2=CC=CC(Cl)=C2C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084570	0	47	0.0	-51.22	408.56	9.92	-41.30
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012084571	0	36	0.0	-61.61	326.00	7.55	-54.06
CCOC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012084572	0	50	0.0	-63.29	417.43	10.96	-52.33
CC(C)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012084573	0	40	0.0	-68.31	340.11	9.36	-58.95
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012084574	0	32	0.0	-64.70	302.42	6.14	-58.56
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084575	0	45	0.0	-59.82	377.12	9.47	-50.35
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084576	0	45	0.0	-60.76	387.13	9.78	-50.98
CCOC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OCC(C)C	REAL300012084577	0	49	0.0	-61.48	399.12	9.38	-52.10
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=CC=C1F	REAL300012084578	0	29	0.0	-55.50	281.75	7.51	-47.99
COC1=CC(Br)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084579	0	37	0.0	-56.52	328.99	6.66	-49.86
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C=C1F	REAL300012084580	0	29	0.0	-57.79	281.75	7.52	-50.27
COC1=CC2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2C=C1	REAL300012084581	0	39	0.0	-61.64	330.52	8.42	-53.22
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=CS1	REAL300012084582	0	26	0.0	-56.97	266.58	6.60	-50.37
CCCCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OCC	REAL300012084583	0	49	0.0	-61.82	400.52	9.48	-52.34
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084584	0	42	0.0	-61.21	350.22	8.94	-52.27
COC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1OC(F)F	REAL300012084585	0	37	0.0	-56.17	321.87	6.44	-49.73
CCC1=CC=C(C2=NN(C3=CC=CC=C3)C=C2C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084586	0	52	0.0	-60.37	433.26	12.90	-47.47
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012084587	0	33	0.0	-59.09	315.42	7.45	-51.64
O=C([O-])C(F)(F)CC[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012084588	0	49	0.0	-58.12	393.06	10.16	-47.96
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012084590	0	29	0.0	-63.57	281.89	7.52	-56.05
CC1=CC=C(COC2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2)C=C1	REAL300012084591	0	46	0.0	-59.71	387.74	10.83	-48.88
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012084592	0	44	0.0	-56.40	348.00	8.15	-48.25
CCCCCCOC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084593	0	48	0.0	-56.79	392.42	10.23	-46.56
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1SC	REAL300012084594	0	37	0.0	-62.00	323.80	7.21	-54.79
N#CCCCOC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084595	0	40	0.0	-63.88	348.77	8.41	-55.47
CCCCCOC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OC	REAL300012084596	0	49	0.0	-61.72	399.98	9.35	-52.37
CCC(C)OC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OC	REAL300012084597	0	46	0.0	-61.67	374.35	8.39	-53.28
CCCCCCCOC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084598	0	51	0.0	-56.77	413.92	11.01	-45.76
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OCCCC#N	REAL300012084599	0	44	0.0	-71.63	378.02	8.30	-63.33
C=C(C)COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OC	REAL300012084600	0	44	0.0	-62.67	367.98	8.34	-54.33
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OCCC(C)C	REAL300012084601	0	49	0.0	-61.77	396.05	9.09	-52.68
C=CCC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC(OC)=C1O	REAL300012084602	0	41	0.0	-61.93	349.76	6.02	-55.91
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084603	0	38	0.0	-61.44	333.27	7.83	-53.61
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084604	0	39	0.0	-58.93	352.30	5.39	-53.54
CCOC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012084605	0	43	0.0	-65.40	376.91	8.37	-57.03
O=C([O-])C(F)(F)CC[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012084606	0	35	0.0	-57.71	318.22	7.64	-50.07
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012084607	0	42	0.0	-62.77	348.93	6.00	-56.77
C=CCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1Cl	REAL300012084608	0	37	0.0	-61.67	335.17	8.23	-53.44
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012084609	0	35	0.0	-59.24	320.09	7.89	-51.35
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012084610	0	41	0.0	-54.64	341.32	6.74	-47.90
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012084611	0	32	0.0	-56.38	311.36	6.69	-49.69
CC1=CC=CC(C2=NNC=C2C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084612	0	39	0.0	-58.97	332.65	7.40	-51.57
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012084613	0	32	0.0	-62.98	310.34	8.36	-54.62
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300012084614	0	32	0.0	-62.96	314.91	8.47	-54.49
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012084615	0	29	0.0	-56.22	288.89	7.93	-48.29
CC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(Br)=C1	REAL300012084616	0	32	0.0	-52.24	292.76	8.08	-44.16
CC(C)COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084617	0	42	0.0	-57.92	347.85	8.59	-49.33
COCCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084618	0	40	0.0	-60.44	340.05	6.36	-54.08
CC(C)(C)N1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC=CC=C2Cl)=N1	REAL300012084619	0	48	0.0	-58.45	409.11	10.59	-47.86
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084620	0	44	0.0	-61.54	383.81	10.56	-50.98
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012084621	0	33	0.0	-62.79	310.35	6.99	-55.80
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012084622	0	37	0.0	-63.03	347.93	8.33	-54.70
CN1N=C(C2=CC=CC=C2)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1Cl	REAL300012084623	0	39	0.0	-53.89	349.20	8.36	-45.53
COC1=CC2=C(C=C1C[NH2+]CCC(F)(F)C(=O)[O-])OCO2	REAL300012084624	0	36	0.0	-57.52	309.22	4.89	-52.63
CC(C)COC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084625	0	42	0.0	-56.65	348.03	8.59	-48.06
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=CC(Br)=C1	REAL300012084626	0	28	0.0	-61.60	271.05	5.69	-55.91
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012084627	0	34	0.0	-54.42	312.13	7.32	-47.10
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012084628	0	39	0.0	-58.39	334.21	8.05	-50.34
CC1=C(Br)SC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084629	0	29	0.0	-58.20	286.56	7.30	-50.90
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012084630	0	34	0.0	-55.59	313.18	7.92	-47.67
COC1=CC=C(OC2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2)C=C1	REAL300012084631	0	44	0.0	-62.91	373.10	9.01	-53.90
CC1=CC(C)=CC(C2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2)=C1	REAL300012084632	0	45	0.0	-58.88	371.90	11.61	-47.27
CC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012084633	0	38	0.0	-66.77	329.45	10.40	-56.37
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012084634	0	36	0.0	-63.21	319.44	7.41	-55.80
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084635	0	39	0.0	-62.91	350.21	9.19	-53.72
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012084636	0	43	0.0	-59.13	372.57	10.22	-48.91
CCCCOC1=CC=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084637	0	42	0.0	-51.67	347.82	8.75	-42.92
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012084638	0	40	0.0	-61.69	355.66	10.96	-50.73
CC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012084639	0	39	0.0	-56.37	332.04	7.73	-48.64
COC1=CC(C)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084640	0	40	0.0	-60.46	328.42	6.68	-53.78
O=C([O-])C(F)(F)CC[NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1	REAL300012084641	0	35	0.0	-57.32	346.91	9.07	-48.25
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084642	0	35	0.0	-63.60	319.12	7.75	-55.85
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084643	1	35	0.0	-55.73	316.62	4.94	-50.79
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084644	0	38	0.0	-64.06	338.78	6.34	-57.72
O=C([O-])C(F)(F)CC[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012084645	0	33	0.0	-58.91	301.91	5.73	-53.18
CC(C)SC1=CC(Br)=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084646	0	39	0.0	-54.02	349.68	9.80	-44.22
CSC1=CC(Br)=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084647	0	33	0.0	-54.52	311.89	8.41	-46.11
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012084648	0	39	0.0	-63.05	345.73	8.60	-54.45
CC1CCC2=C(C1)SC(C[NH2+]CCC(F)(F)C(=O)[O-])=N2	REAL300012084649	0	38	0.0	-54.72	324.38	7.22	-47.50
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC(F)F)C(Br)=C1	REAL300012084650	0	33	0.0	-62.54	314.55	7.11	-55.43
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012084651	0	42	0.0	-63.27	377.87	9.54	-53.73
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084652	0	43	0.0	-54.78	357.21	9.64	-45.14
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084653	0	43	0.0	-54.68	357.32	9.64	-45.04
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084654	0	42	0.0	-58.16	352.52	7.89	-50.27
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012084655	0	40	0.0	-53.44	366.34	10.41	-43.03
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C=C1N1CCOCC1	REAL300012084656	0	42	0.0	-58.02	360.64	7.07	-50.95
COC1=CC(Cl)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1Cl	REAL300012084657	0	33	0.0	-56.15	312.44	7.19	-48.96
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012084658	0	32	0.0	-59.24	311.96	6.96	-52.28
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012084659	0	32	0.0	-59.08	311.23	6.83	-52.25
CC1=CC=C(C2=NC=C(C[NH2+]CCC(F)(F)C(=O)[O-])S2)O1	REAL300012084660	0	35	0.0	-61.09	324.60	6.79	-54.30
CC1=CC(Br)=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084661	0	32	0.0	-58.34	291.15	8.11	-50.23
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012084662	0	29	0.0	-62.45	291.01	7.94	-54.51
O=C([O-])C(F)(F)CC[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012084663	0	36	0.0	-61.90	317.83	6.81	-55.09
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012084664	0	38	0.0	-60.01	328.75	8.58	-51.43
O=C([O-])C(F)(F)CC[NH2+]CC1=NC=C(Br)C=C1Br	REAL300012084665	0	28	0.0	-52.10	289.53	6.14	-45.96
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012084666	0	32	0.0	-56.33	299.19	7.82	-48.51
COCCOC1=CC=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084667	0	40	0.0	-52.36	338.45	6.42	-45.94
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012084668	0	29	0.0	-55.58	287.91	7.93	-47.65
COC1=C(Br)C=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084669	0	33	0.0	-56.74	305.04	6.92	-49.82
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012084670	0	36	0.0	-55.93	321.75	7.31	-48.62
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012084671	0	43	0.0	-53.28	364.82	9.64	-43.64
COC1=CC(Br)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(OC)=C1	REAL300012084672	0	37	0.0	-49.87	330.78	6.01	-43.86
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012084673	0	40	0.0	-48.67	355.88	10.07	-38.60
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012084674	0	44	0.0	-54.01	378.87	8.13	-45.88
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084675	0	39	0.0	-62.97	354.77	9.29	-53.68
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084676	0	48	0.0	-58.69	379.88	10.44	-48.25
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012084677	0	36	0.0	-59.66	321.54	8.82	-50.84
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(Br)=C1	REAL300012084678	0	29	0.0	-58.57	276.36	7.48	-51.09
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C1=CC=C(F)C=C1	REAL300012084679	0	46	0.0	-63.19	396.61	11.53	-51.66
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012084680	0	39	0.0	-58.10	353.73	8.95	-49.15
CCN(CC)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084681	0	43	0.0	-54.73	350.20	9.17	-45.56
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C=C1	REAL300012084682	0	29	0.0	-59.81	276.36	7.49	-52.32
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC(OC)=C1OC	REAL300012084683	0	41	0.0	-65.68	346.79	5.98	-59.70
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012084684	0	42	0.0	-58.20	338.89	5.70	-52.50
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084685	0	50	0.0	-55.91	404.94	11.99	-43.92
CCCCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084686	0	42	0.0	-58.35	349.42	8.67	-49.68
CC(C)CCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084687	0	45	0.0	-58.11	366.81	9.20	-48.91
CCCCCCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084688	0	48	0.0	-57.98	392.24	10.24	-47.74
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012084689	0	40	0.0	-60.27	345.48	9.77	-50.50
CCCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(OCCC)=C1	REAL300012084690	0	49	0.0	-53.98	399.38	8.98	-45.00
CCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084691	0	40	0.0	-61.95	335.48	6.98	-54.97
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(OC)=C1OC	REAL300012084692	0	41	0.0	-59.63	341.66	5.90	-53.73
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300012084693	0	47	0.0	-63.36	395.57	10.04	-53.32
COC1=CC=C(Br)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084694	0	33	0.0	-53.84	304.32	6.85	-46.99
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC(Br)=C1O	REAL300012084695	0	34	0.0	-64.03	315.55	4.64	-59.39
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012084696	0	39	0.0	-58.63	329.10	10.28	-48.35
COC1=C(C[NH2+]CCC(F)(F)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012084697	0	39	0.0	-51.97	325.45	8.34	-43.63
COC1=CC(OC)=C(OC)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084698	0	41	0.0	-57.59	341.88	5.43	-52.16
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1	REAL300012084699	0	51	0.0	-60.42	427.55	14.03	-46.39
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084700	0	39	0.0	-58.16	348.44	8.85	-49.31
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012084701	0	43	0.0	-58.24	366.33	10.14	-48.10
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1Br	REAL300012084702	0	29	0.0	-52.10	270.52	7.45	-44.65
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300012084703	0	36	0.0	-63.35	335.19	8.70	-54.65
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012084704	0	32	0.0	-64.51	297.29	6.03	-58.48
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1I	REAL300012084705	0	29	0.0	-51.12	275.81	7.90	-43.22
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012084706	0	37	0.0	-60.95	332.18	6.08	-54.87
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012084707	0	46	0.0	-69.67	377.89	10.11	-59.56
CN(CCC#N)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084708	0	41	0.0	-60.39	348.98	8.72	-51.67
O=C([O-])C(F)(F)CC[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012084709	0	39	0.0	-56.00	335.01	8.61	-47.39
CCOC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1OC	REAL300012084710	0	40	0.0	-55.52	335.52	7.05	-48.47
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OCC(N)=O	REAL300012084711	0	41	0.0	-74.92	352.39	4.02	-70.90
CCNC(=O)COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084712	0	47	0.0	-72.28	395.63	6.31	-65.97
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC2=C1OCO2	REAL300012084713	0	36	0.0	-66.56	310.66	4.81	-61.75
COC1=CC2=C(C=C1C[NH2+]CCC(F)(F)C(=O)[O-])OC(C)C2	REAL300012084714	0	41	0.0	-54.09	340.23	6.83	-47.26
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012084715	0	45	0.0	-74.43	385.55	3.82	-70.61
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300012084716	0	41	0.0	-73.28	372.18	4.68	-68.60
CCN(C(C)=O)C1=NC(C[NH2+]CCC(F)(F)C(=O)[O-])=CS1	REAL300012084717	1	38	0.0	-60.01	334.16	6.74	-53.27
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(I)=C1	REAL300012084718	0	29	0.0	-58.29	282.84	7.96	-50.33
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(I)C=C1	REAL300012084719	0	29	0.0	-59.64	282.84	7.97	-51.67
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=CC(Br)=C1	REAL300012084720	0	29	0.0	-60.70	297.65	8.08	-52.62
O=C([O-])C(F)(F)CC[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012084721	0	39	0.0	-63.31	349.93	7.72	-55.59
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084722	0	42	0.0	-51.04	343.42	10.71	-40.33
CS(=O)(=O)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084723	0	35	0.0	-68.05	315.57	4.39	-63.66
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012084724	0	39	0.0	-59.55	345.82	10.80	-48.75
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012084725	0	42	0.0	-60.13	359.10	8.45	-51.68
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C=N1	REAL300012084726	0	28	0.0	-57.94	271.36	5.64	-52.30
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012084727	0	38	0.0	-59.82	328.75	4.18	-55.64
CC(=O)N(C1=NC(C[NH2+]CCC(F)(F)C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300012084728	1	42	0.0	-59.26	381.55	9.24	-50.02
O=C([O-])C(F)(F)CC[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012084729	0	32	0.0	-57.78	298.58	7.89	-49.89
CC1=CC=CN2C=C(COC3=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C3)N=C12	REAL300012084730	0	49	0.0	-64.46	413.48	11.27	-53.19
CCOCC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OC	REAL300012084731	0	43	0.0	-57.16	358.65	7.07	-50.09
O=C([O-])C(F)(F)CC[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012084732	0	32	0.0	-60.07	292.09	6.36	-53.71
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012084733	0	38	0.0	-60.16	345.96	6.32	-53.84
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(C(F)(F)F)=CC=C1Br	REAL300012084734	0	32	0.0	-55.01	309.22	8.45	-46.56
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C=C1C(F)(F)F	REAL300012084735	0	32	0.0	-60.11	304.72	8.55	-51.56
O=C([O-])C(F)(F)CC[NH2+]CC1=C(F)C=CC=C1Br	REAL300012084736	0	29	0.0	-49.82	278.27	7.38	-42.44
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC=C1Br	REAL300012084737	0	26	0.0	-52.71	263.18	6.39	-46.32
CC(C)COC1=CC=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084738	0	42	0.0	-51.68	346.61	8.65	-43.03
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012084739	0	29	0.0	-61.51	282.59	7.55	-53.96
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(F)=C1Br	REAL300012084740	0	29	0.0	-56.71	276.87	7.46	-49.25
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(Br)=C1F	REAL300012084741	0	29	0.0	-58.18	281.23	7.50	-50.68
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C)=C1OC	REAL300012084742	0	40	0.0	-60.78	329.49	6.69	-54.09
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012084743	0	26	0.0	-56.67	276.04	6.86	-49.81
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012084744	0	28	0.0	-64.47	280.95	5.28	-59.19
CS(=O)(=O)C1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084745	0	35	0.0	-66.66	315.76	4.38	-62.28
COC1=CC2=CC=CC=C2C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084746	0	39	0.0	-55.36	328.71	8.51	-46.85
CC1=NC=C(C[NH2+]CCC(F)(F)C(=O)[O-])N1C1=CC=CC=C1	REAL300012084747	0	39	0.0	-55.78	334.09	9.13	-46.65
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC2=CC=CC=C21	REAL300012084748	0	39	0.0	-60.73	329.54	8.47	-52.26
COC1=CC=CC2=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=CC=C12	REAL300012084749	0	39	0.0	-59.40	324.41	8.35	-51.05
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084750	0	39	0.0	-57.38	329.12	8.72	-48.66
O=C([O-])C(F)(F)CC[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012084751	0	28	0.0	-59.87	280.41	5.18	-54.69
O=C([O-])C(F)(F)CC[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012084752	0	36	0.0	-62.52	318.81	5.17	-57.35
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(Br)=C1	REAL300012084753	0	33	0.0	-55.01	300.83	6.70	-48.31
CC1=CC(Br)=C(C[NH2+]CCC(F)(F)C(=O)[O-])S1	REAL300012084754	0	29	0.0	-51.80	286.44	7.31	-44.49
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084755	0	44	0.0	-61.03	364.76	9.57	-51.46
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084756	0	39	0.0	-47.55	344.03	9.56	-37.99
CN1C(=O)CCC2=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C21	REAL300012084757	0	40	0.0	-66.08	331.78	7.79	-58.29
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084758	0	44	0.0	-54.94	380.67	10.18	-44.76
CC1=CC=C(OC(F)F)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084759	0	36	0.0	-56.43	314.19	7.18	-49.25
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012084760	0	35	0.0	-59.98	336.81	8.41	-51.57
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012084761	0	35	0.0	-61.77	324.42	8.13	-53.64
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084762	0	46	0.0	-54.21	380.49	10.37	-43.84
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012084763	0	40	0.0	-53.68	353.47	9.25	-44.43
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300012084764	0	44	0.0	-69.41	381.84	7.23	-62.18
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012084765	0	34	0.0	-66.93	311.78	7.86	-59.07
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012084766	0	38	0.0	-57.25	326.98	7.50	-49.75
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012084767	0	35	0.0	-60.72	328.07	8.11	-52.61
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012084768	0	32	0.0	-61.16	302.69	5.97	-55.19
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012084769	0	29	0.0	-62.67	291.19	7.94	-54.73
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012084770	0	41	0.0	-59.19	364.47	9.39	-49.80
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC(F)(F)F)C(Br)=C1	REAL300012084771	0	33	0.0	-63.44	321.30	7.32	-56.12
CN1C=C(C2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2)C=N1	REAL300012084772	0	39	0.0	-61.70	335.00	8.17	-53.53
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012084773	0	40	0.0	-61.54	349.99	9.78	-51.76
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012084774	0	39	0.0	-61.22	340.61	8.11	-53.11
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012084775	0	40	0.0	-65.91	355.03	8.44	-57.47
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=N1	REAL300012084776	0	43	0.0	-64.01	363.44	9.29	-54.72
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012084777	0	36	0.0	-60.89	319.13	5.08	-55.81
CC1=CC=CC=C1N1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])N=N1	REAL300012084778	0	38	0.0	-61.75	323.70	7.43	-54.32
CN1N=C(Br)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084779	0	29	0.0	-64.78	277.22	4.93	-59.85
CN1C=C(C2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])S2)C=N1	REAL300012084780	0	36	0.0	-60.10	328.84	7.55	-52.55
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012084781	0	41	0.0	-61.86	334.14	7.75	-54.11
CCOC1=C(Cl)C=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084782	0	36	0.0	-56.48	322.35	7.76	-48.72
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012084783	0	29	0.0	-60.53	287.96	7.85	-52.68
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084784	0	40	0.0	-59.56	340.64	7.25	-52.31
O=C([O-])C(F)(F)CC[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012084785	0	33	0.0	-51.78	304.86	6.75	-45.03
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012084786	0	36	0.0	-61.20	317.69	7.84	-53.36
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2Br)C=C1	REAL300012084787	0	39	0.0	-58.49	351.51	10.92	-47.57
CC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012084788	0	42	0.0	-53.91	352.94	8.72	-45.19
CC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012084789	0	42	0.0	-55.86	348.66	8.36	-47.50
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012084790	0	39	0.0	-64.69	352.43	9.08	-55.61
CC1=CC(Br)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1Cl	REAL300012084791	0	32	0.0	-53.04	305.93	8.54	-44.50
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012084792	0	39	0.0	-56.25	354.40	8.84	-47.41
N#CCCN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012084793	0	42	0.0	-68.16	371.64	7.65	-60.51
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012084794	0	35	0.0	-54.09	316.15	10.47	-43.62
COC(=O)C1=C(C)N(C)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084795	0	39	0.0	-65.14	332.93	7.38	-57.76
COCCOCC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084796	0	43	0.0	-59.70	365.61	6.83	-52.87
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012084797	0	29	0.0	-52.82	274.95	6.84	-45.98
CC1=C(C[NH2+]CCC(F)(F)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012084798	0	35	0.0	-57.89	325.39	9.42	-48.47
O=C([O-])C(F)(F)CC[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012084799	0	43	0.0	-63.40	378.49	9.27	-54.13
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(F)C=C1I	REAL300012084800	0	29	0.0	-55.37	283.09	7.93	-47.44
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012084801	0	32	0.0	-66.97	294.67	5.97	-61.00
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CCC(F)(F)C(=O)[O-])O1	REAL300012084802	0	39	0.0	-56.62	338.91	7.30	-49.32
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012084803	0	28	0.0	-57.42	283.14	6.11	-51.31
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(OC(F)F)=CC=C1Br	REAL300012084804	0	33	0.0	-55.60	309.54	7.02	-48.58
CC1=CC=C(C2=NC=C(C[NH2+]CCC(F)(F)C(=O)[O-])S2)C=C1C	REAL300012084805	0	41	0.0	-59.34	358.46	9.09	-50.25
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084806	0	39	0.0	-65.93	337.76	8.83	-57.10
CC1=NN(C2=CC=CC=C2Br)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084807	0	39	0.0	-63.08	349.29	9.50	-53.58
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084808	0	39	0.0	-63.48	345.66	9.36	-54.12
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084809	0	42	0.0	-61.90	354.69	9.35	-52.55
CC1=NN(C2=CC=CC(Br)=C2)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084810	0	39	0.0	-60.99	354.84	9.29	-51.70
COC1=CC(OC)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1F	REAL300012084811	0	37	0.0	-58.08	318.70	5.61	-52.47
COC1=CC(F)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084812	0	37	0.0	-58.76	318.09	6.12	-52.64
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300012084813	0	43	0.0	-59.09	376.28	10.38	-48.71
CC(C)(C)SC1=C(Br)C=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084814	0	42	0.0	-54.79	357.88	9.99	-44.80
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084815	0	42	0.0	-62.06	354.83	9.34	-52.72
CCCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C)=C1	REAL300012084816	0	42	0.0	-57.01	342.51	8.52	-48.49
O=C([O-])C(F)(F)CC[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012084817	0	32	0.0	-60.65	304.05	8.01	-52.64
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012084818	0	37	0.0	-57.79	320.81	7.88	-49.91
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012084819	0	33	0.0	-58.61	299.22	6.59	-52.02
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012084820	0	33	0.0	-58.84	299.18	6.58	-52.26
CN1C=C(C2=NN(C)C=C2C[NH2+]CCC(F)(F)C(=O)[O-])C=N1	REAL300012084821	0	39	0.0	-60.08	338.32	5.86	-54.22
CC(C)(C)OC(=O)N1CCC2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2C1	REAL300012084822	0	53	0.0	-62.65	420.78	10.05	-52.60
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012084823	0	35	0.0	-59.35	336.64	8.41	-50.94
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012084824	0	29	0.0	-61.75	285.50	7.01	-54.74
O=C([O-])C(F)(F)CC[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012084825	0	29	0.0	-53.34	275.95	7.00	-46.34
CN(C)C1=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=CC(F)=C1F	REAL300012084826	0	37	0.0	-60.70	314.54	6.94	-53.76
O=C([O-])C(F)(F)CC[NH2+]CC1=CNN=C1C1=CC=C(Br)S1	REAL300012084827	0	33	0.0	-57.49	320.29	6.73	-50.76
CC(C)OC1=CC(Cl)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1Cl	REAL300012084828	0	39	0.0	-56.05	353.04	8.70	-47.35
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012084829	0	41	0.0	-60.67	340.40	6.51	-54.16
CN(C)C1=CC(F)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1F	REAL300012084830	0	37	0.0	-58.17	320.30	6.45	-51.72
COC(=O)C1=C2CCCCN2C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084831	0	43	0.0	-65.42	356.76	8.60	-56.82
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012084832	0	36	0.0	-61.37	323.11	7.16	-54.21
C=CCOC1=C(Cl)C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084833	0	41	0.0	-64.82	368.53	8.23	-56.59
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC1CC1	REAL300012084834	0	41	0.0	-63.31	344.85	7.73	-55.58
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=CC=C1I	REAL300012084835	0	29	0.0	-52.38	293.23	8.38	-44.00
CN1N=C(C(F)(F)F)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084836	0	32	0.0	-67.24	297.16	5.46	-61.78
COCC(C)OC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084837	0	43	0.0	-60.39	356.65	7.07	-53.32
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300012084838	0	46	0.0	-61.43	397.23	7.81	-53.62
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300012084839	0	43	0.0	-57.34	374.92	10.46	-46.88
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012084840	0	36	0.0	-59.13	322.25	9.49	-49.64
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012084841	0	42	0.0	-62.09	354.17	9.16	-52.93
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(C(F)(F)F)=C(Br)C=C1F	REAL300012084842	0	32	0.0	-61.08	315.06	8.41	-52.67
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012084843	0	36	0.0	-61.45	332.09	7.73	-53.72
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300012084844	0	38	0.0	-62.38	347.55	9.25	-53.13
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1C(C)(C)C	REAL300012084845	0	45	0.0	-57.45	355.55	8.85	-48.60
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084846	0	37	0.0	-50.59	327.88	6.08	-44.51
CC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=NC=C1Br	REAL300012084847	0	31	0.0	-57.51	289.69	6.23	-51.28
CC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C(Br)C=C1F	REAL300012084848	0	32	0.0	-55.92	297.19	8.16	-47.76
O=C([O-])C(F)(F)CC[NH2+]CC1=C(O)C=CC=C1Br	REAL300012084849	0	30	0.0	-52.67	282.83	4.56	-48.11
CN1C=C(C2=NC(C[NH2+]CCC(F)(F)C(=O)[O-])=CS2)C=N1	REAL300012084850	0	35	0.0	-59.51	324.57	5.45	-54.06
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012084851	0	35	0.0	-64.38	314.38	6.76	-57.62
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012084852	0	35	0.0	-56.17	304.25	8.44	-47.73
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(Br)=N1	REAL300012084853	0	29	0.0	-58.10	278.34	5.15	-52.95
O=C([O-])C(F)(F)CC[NH2+]CC1=NC=C(Br)C=C1F	REAL300012084854	0	28	0.0	-54.11	276.72	5.66	-48.45
COC1=CC(Cl)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC	REAL300012084855	0	37	0.0	-57.12	325.42	6.54	-50.58
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012084856	0	35	0.0	-58.71	316.07	8.66	-50.05
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084857	0	49	0.0	-61.57	402.96	7.31	-54.26
CCOC(=O)C1=C(C)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C(C)N1	REAL300012084858	0	42	0.0	-61.21	355.13	7.24	-53.97
O=C([O-])C(F)(F)CC[NH2+]CC1=C(F)C=CC(C(F)(F)F)=C1Br	REAL300012084859	0	32	0.0	-53.93	312.65	8.26	-45.67
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012084860	0	39	0.0	-61.17	348.10	10.83	-50.34
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012084861	0	29	0.0	-62.75	286.49	7.58	-55.17
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Br)SC=C1	REAL300012084862	0	26	0.0	-52.80	263.01	6.52	-46.28
CCOC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C(F)C=C1OC	REAL300012084863	0	40	0.0	-58.88	340.13	7.03	-51.85
COC1=NC=C(Br)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084864	0	32	0.0	-56.13	302.11	4.25	-51.88
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CN=C1Br	REAL300012084865	0	28	0.0	-56.75	265.40	5.56	-51.19
O=C([O-])C(F)(F)CC[NH2+]CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O	REAL300012084866	0	43	0.0	-61.67	374.49	6.50	-55.17
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C(F)C=C1Br	REAL300012084867	0	33	0.0	-59.81	309.46	6.87	-52.94
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012084868	0	29	0.0	-56.46	286.97	7.87	-48.59
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012084869	0	33	0.0	-58.82	305.96	6.81	-52.01
CC(C)OC1=CC=C(F)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084870	0	39	0.0	-53.89	329.37	7.85	-46.04
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012084871	0	43	0.0	-68.35	350.94	7.87	-60.48
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012084872	0	33	0.0	-58.05	299.88	6.47	-51.58
CC(C)(C)OC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084873	0	42	0.0	-56.50	335.47	7.99	-48.51
CC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C)=C1Br	REAL300012084874	0	35	0.0	-57.34	305.98	8.58	-48.76
CC1=CC=NC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1Br	REAL300012084875	0	31	0.0	-50.38	286.71	6.12	-44.26
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084876	0	46	0.0	-60.76	376.69	7.12	-53.64
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012084877	0	39	0.0	-60.57	347.33	8.18	-52.39
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1	REAL300012084880	0	39	0.0	-58.66	360.28	8.55	-50.11
CN1N=C2CCSCC2=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084881	0	37	0.0	-64.19	319.49	6.53	-57.66
CCN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012084882	0	42	0.0	-58.24	355.73	8.92	-49.32
COCC1=C(C)C=C(C)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1C	REAL300012084883	0	45	0.0	-55.83	356.58	8.09	-47.74
CC1=CC(OC2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(Cl)=C2)=CC=C1F	REAL300012084884	0	43	0.0	-58.79	384.69	10.93	-47.86
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(Cl)=C1	REAL300012084885	0	46	0.0	-57.30	398.81	11.73	-45.57
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012084886	0	40	0.0	-55.88	364.88	10.29	-45.59
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084887	0	43	0.0	-55.58	384.60	10.97	-44.61
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1F	REAL300012084888	0	43	0.0	-59.12	385.90	10.94	-48.18
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C(F)=C1	REAL300012084889	0	40	0.0	-58.14	371.36	10.36	-47.78
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084890	0	43	0.0	-52.69	378.13	10.90	-41.79
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1	REAL300012084891	0	40	0.0	-56.20	365.35	10.33	-45.87
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084892	0	46	0.0	-53.01	398.57	11.68	-41.33
CC1=C(Br)C=C(C[NH2+]CCC(F)(F)C(=O)[O-])S1	REAL300012084893	0	29	0.0	-56.61	287.65	7.37	-49.24
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012084894	0	39	0.0	-60.14	346.00	10.79	-49.35
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(F)=C1I	REAL300012084895	0	29	0.0	-55.57	282.21	7.90	-47.67
CCCOC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1C	REAL300012084896	0	42	0.0	-58.07	347.99	8.63	-49.44
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300012084897	0	47	0.0	-58.92	393.01	9.59	-49.33
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012084898	0	43	0.0	-63.34	366.98	7.85	-55.49
CC1=CC=C(Br)C(F)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084899	0	32	0.0	-56.35	297.80	8.01	-48.34
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OC1=CC=C(Cl)C(Cl)=C1	REAL300012084900	0	40	0.0	-55.04	374.20	10.70	-44.34
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+]CCC(F)(F)C(=O)[O-])C(C)=C1	REAL300012084901	0	46	0.0	-56.80	400.72	11.60	-45.20
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084902	0	37	0.0	-66.26	311.56	8.41	-57.85
COC1=CC=C(CN2C=C(C[NH2+]CCC(F)(F)C(=O)[O-])N=N2)C=C1	REAL300012084903	0	42	0.0	-65.72	362.73	6.51	-59.21
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(F)=C1OC	REAL300012084904	0	37	0.0	-60.74	322.92	6.21	-54.53
COC(=O)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(F)=C1	REAL300012084905	0	35	0.0	-63.57	315.41	7.55	-56.02
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012084906	0	39	0.0	-59.77	341.52	7.25	-52.52
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012084907	0	43	0.0	-59.13	366.15	10.15	-48.98
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012084908	0	36	0.0	-54.29	318.02	7.48	-46.81
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=C(Br)S1	REAL300012084909	0	26	0.0	-60.08	286.96	7.28	-52.80
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300012084910	0	40	0.0	-58.18	371.38	10.35	-47.83
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1	REAL300012084911	0	40	0.0	-58.36	363.17	10.02	-48.34
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012084912	0	40	0.0	-55.22	374.96	10.69	-44.53
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084913	0	47	0.0	-52.34	394.56	10.35	-41.99
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1	REAL300012084914	0	40	0.0	-56.03	364.83	10.24	-45.79
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OC1=CC(Cl)=CC(Cl)=C1	REAL300012084915	0	40	0.0	-54.01	374.83	10.70	-43.31
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(F)=CC=C1OC1=CC=C(F)C=C1Cl	REAL300012084916	0	40	0.0	-56.66	370.34	10.35	-46.31
CSC1=CC=C(OC2=CC=C(F)C=C2C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084917	0	44	0.0	-56.16	388.26	10.74	-45.42
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084918	0	45	0.0	-59.78	370.39	9.87	-49.91
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012084919	0	35	0.0	-57.29	336.64	8.17	-49.12
COC1=CC=C(C2=NC(C[NH2+]CCC(F)(F)C(=O)[O-])=CS2)C=C1	REAL300012084920	0	39	0.0	-57.58	349.35	6.97	-50.61
CS(=O)(=O)NC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084922	0	37	0.0	-70.55	332.37	3.48	-67.07
CN1C(Cl)=NC(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084923	0	29	0.0	-62.32	288.52	6.15	-56.17
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084924	1	49	0.0	-55.40	376.83	8.96	-46.44
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1	REAL300012084925	0	43	0.0	-65.76	384.15	10.26	-55.50
CC1=NN2C(=NC(C)=C2C[NH2+]CCC(F)(F)C(=O)[O-])S1	REAL300012084926	0	34	0.0	-59.64	310.30	6.06	-53.58
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CCC(F)(F)C(=O)[O-])S1	REAL300012084927	0	40	0.0	-59.12	351.20	7.34	-51.78
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012084928	0	34	0.0	-48.73	308.64	7.80	-40.93
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012084929	0	29	0.0	-61.07	285.93	7.17	-53.90
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300012084930	0	46	0.0	-58.06	389.10	7.73	-50.33
O=C([O-])C(F)(F)CC[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012084931	0	31	0.0	-58.32	308.03	6.92	-51.40
CN(C)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012084932	0	40	0.0	-56.63	336.07	8.33	-48.30
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084933	0	39	0.0	-57.30	337.13	9.49	-47.81
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084934	0	38	0.0	-59.33	345.11	8.45	-50.88
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012084935	0	48	0.0	-59.01	392.15	10.37	-48.64
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012084936	0	32	0.0	-63.57	314.79	8.21	-55.36
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1	REAL300012084937	0	35	0.0	-64.63	323.91	7.36	-57.27
O=C([O-])C(F)(F)CC[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012084938	0	32	0.0	-59.49	303.18	8.00	-51.49
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084939	0	40	0.0	-59.82	341.71	8.26	-51.56
COCC1=CC=CC=C1C=C(C)C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084940	0	43	0.0	-59.74	354.18	8.49	-51.25
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084941	0	39	0.0	-55.82	327.41	7.69	-48.13
O=C([O-])C(F)(F)CC[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012084942	0	38	0.0	-65.49	330.47	8.60	-56.89
COC1=CC=C(N2C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=N2)C=C1	REAL300012084943	0	40	0.0	-63.91	343.39	7.38	-56.53
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084944	0	44	0.0	-55.87	376.80	10.28	-45.59
O=C([O-])C(F)(F)CC[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012084945	0	31	0.0	-63.90	294.30	4.84	-59.06
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(N2CCCCC2)C(Br)=C1	REAL300012084946	0	44	0.0	-59.60	372.60	9.32	-50.28
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=NC=C1Br	REAL300012084947	0	28	0.0	-56.59	265.88	5.67	-50.92
CS(=O)(=O)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])S1	REAL300012084948	0	32	0.0	-66.94	307.98	3.55	-63.39
O=C([O-])C(F)(F)CC[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012084949	0	49	0.0	-54.27	397.90	10.83	-43.44
NS(=O)(=O)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(F)=C1	REAL300012084950	0	34	0.0	-66.50	313.82	1.87	-64.63
CC1=C(Br)C=NC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084951	0	31	0.0	-61.00	284.27	6.16	-54.84
CN1N=CC(C(F)(F)F)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084952	0	32	0.0	-60.22	292.51	5.46	-54.76
COC1=CC=C(C2=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300012084953	0	45	0.0	-68.27	388.79	5.90	-62.37
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012084954	0	40	0.0	-64.20	330.72	5.49	-58.71
O=C([O-])C(F)(F)CC[NH2+]CC1=C(OC2=CC=C(F)C=C2)N=C2C=CC=CN21	REAL300012084955	0	43	0.0	-62.79	374.08	9.99	-52.80
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012084956	0	39	0.0	-64.12	329.53	4.31	-59.81
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012084957	0	49	0.0	-59.93	395.10	5.72	-54.21
CC(C)(C)OC(=O)NC(C[NH2+]CCC(F)(F)C(=O)[O-])CC(F)F	REAL300012084958	0	45	0.0	-66.04	365.31	5.70	-60.34
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012084959	0	39	0.0	-61.75	329.89	4.46	-57.29
NS(=O)(=O)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084960	0	34	0.0	-68.99	309.06	1.83	-67.16
CN1C=CC(C2=NC(C[NH2+]CCC(F)(F)C(=O)[O-])=CS2)=N1	REAL300012084961	0	35	0.0	-61.06	324.68	5.33	-55.73
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2CCCC2)=N1	REAL300012084962	0	42	0.0	-59.78	343.38	7.77	-52.01
CC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1Br	REAL300012084963	0	32	0.0	-52.15	289.55	7.99	-44.16
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012084964	0	40	0.0	-59.54	350.01	9.78	-49.76
CN(C)C(=O)C1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084965	0	39	0.0	-62.89	326.71	6.71	-56.18
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012084966	0	44	0.0	-51.29	348.67	8.92	-42.37
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012084967	1	28	0.0	-60.32	280.53	4.98	-55.34
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=CC=C1Br	REAL300012084968	0	29	0.0	-53.43	292.46	8.03	-45.40
COC(=O)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1C	REAL300012084969	0	38	0.0	-64.61	325.91	8.06	-56.55
CC1=C(Cl)C=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1Cl	REAL300012084970	0	32	0.0	-55.92	300.38	8.33	-47.59
CC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C(C)C=C1I	REAL300012084971	0	35	0.0	-57.98	315.20	9.12	-48.86
N#CC1=CC=C(Br)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084972	0	30	0.0	-59.01	291.10	7.84	-51.17
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084973	0	42	0.0	-54.69	357.33	8.42	-46.27
COC(=O)COC1=CC=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084974	0	39	0.0	-55.43	339.33	7.83	-47.60
CN(C)C(=O)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084975	0	39	0.0	-68.03	324.96	6.66	-61.37
CCNC(=O)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084976	0	39	0.0	-66.98	333.02	5.99	-60.99
COC1=CC=C2SC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC2=C1	REAL300012084977	0	36	0.0	-58.97	321.82	7.70	-51.27
CCN(CC)C(=O)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084978	0	45	0.0	-67.02	367.32	8.64	-58.38
CCN(C)C(=O)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084979	0	42	0.0	-67.82	347.75	7.73	-60.09
CSC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1Cl	REAL300012084980	0	33	0.0	-61.70	310.11	8.33	-53.37
CC1=NN(C2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C)=C2)C=C1	REAL300012084981	0	42	0.0	-64.17	350.58	9.19	-54.98
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012084982	0	35	0.0	-62.29	326.27	8.74	-53.55
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084983	0	39	0.0	-62.74	345.25	9.18	-53.56
CCC1=CC(Br)=C(C[NH2+]CCC(F)(F)C(=O)[O-])S1	REAL300012084984	0	32	0.0	-51.74	308.10	8.09	-43.65
CC1=NN(C2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2)C=C1Cl	REAL300012084985	0	39	0.0	-64.24	351.80	9.15	-55.09
COC(=O)C1=CC2=C(C=C(C[NH2+]CCC(F)(F)C(=O)[O-])O2)N1	REAL300012084986	0	36	0.0	-65.79	323.65	5.66	-60.13
CC(C)(C[NH2+]CCC(F)(F)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012084987	0	38	0.0	-58.63	324.43	9.19	-49.44
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012084988	0	29	0.0	-60.73	293.09	7.98	-52.75
CC1=CC=C(C2=CC=CC=C2C[NH2+]CCC(F)(F)C(=O)[O-])C(C)=C1	REAL300012084989	0	45	0.0	-51.24	365.47	11.37	-39.87
COC1=CC=CC(C2=CSC(C[NH2+]CCC(F)(F)C(=O)[O-])=N2)=C1	REAL300012084990	0	39	0.0	-59.25	347.46	6.94	-52.31
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012084991	0	49	0.0	-61.77	402.78	7.32	-54.45
COC(=O)C1=C2COCCN2C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012084992	0	41	0.0	-67.23	348.28	6.24	-60.99
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012084993	0	46	0.0	-67.55	369.88	8.80	-58.75
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012084994	0	39	0.0	-64.09	326.43	9.78	-54.31
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012084995	0	32	0.0	-62.44	317.29	8.70	-53.74
O=C([O-])C(F)(F)CC[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012084996	0	33	0.0	-56.98	311.31	5.78	-51.20
NS(=O)(=O)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(Br)=C1	REAL300012084997	0	34	0.0	-64.21	324.73	2.41	-61.80
O=C([O-])C(F)(F)CC[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012084998	0	39	0.0	-61.26	327.34	3.32	-57.94
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012084999	0	29	0.0	-48.65	287.01	7.77	-40.88
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012085000	0	29	0.0	-62.56	285.90	7.56	-55.00
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012085001	0	38	0.0	-63.16	333.04	7.21	-55.95
CC(C)(C)OC(=O)N1CCC(C[NH2+]CCC(F)(F)C(=O)[O-])CC1	REAL300012085002	0	49	0.0	-64.00	378.63	7.88	-56.12
CC1=CC(Br)=CN=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085003	0	31	0.0	-56.43	287.62	6.21	-50.22
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012085004	0	35	0.0	-64.90	328.94	4.78	-60.12
CC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OC(F)F	REAL300012085005	0	36	0.0	-57.15	314.21	7.19	-49.96
CC1=NC(Cl)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1Br	REAL300012085006	0	31	0.0	-57.36	301.72	6.63	-50.73
CN1N=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1S(C)(=O)=O	REAL300012085007	1	35	0.0	-62.78	307.34	2.22	-60.56
CCOC1=CC(Br)=CC(F)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085008	0	36	0.0	-51.60	331.51	7.80	-43.80
CC1=C(C[NH2+]CCC(F)(F)C(=O)[O-])NN=C1C(F)(F)F	REAL300012085009	0	32	0.0	-66.56	292.78	4.81	-61.75
CS(=O)(=O)C1=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=CS1	REAL300012085010	0	32	0.0	-59.68	294.51	3.76	-55.92
COC(=O)C1=CC=C(COC2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2)O1	REAL300012085011	0	46	0.0	-64.85	403.77	9.07	-55.78
CC1=C(Br)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C(C)S1	REAL300012085012	0	32	0.0	-52.16	305.16	7.86	-44.30
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012085013	0	39	0.0	-58.52	340.48	8.11	-50.41
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012085014	0	33	0.0	-58.29	306.62	6.68	-51.61
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012085015	0	35	0.0	-60.82	326.26	8.74	-52.08
CC1=NC=CN1C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C)=C1	REAL300012085016	0	42	0.0	-65.17	350.08	9.88	-55.29
CC1=C(C)N(C2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2)C=N1	REAL300012085017	0	42	0.0	-66.41	352.61	10.48	-55.93
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012085018	0	43	0.0	-56.32	349.84	10.89	-45.43
CCNC(=O)C1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012085020	0	39	0.0	-62.29	333.03	5.98	-56.31
CC1=C(C[NH2+]CCC(F)(F)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012085021	0	35	0.0	-60.43	309.59	8.09	-52.34
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085022	0	39	0.0	-64.66	334.96	7.99	-56.67
O=C([O-])C(F)(F)CC[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012085023	0	32	0.0	-57.19	312.89	8.98	-48.21
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC=CC=C2Br)=N1	REAL300012085024	0	39	0.0	-59.33	352.96	8.69	-50.64
O=C([O-])C(F)(F)CC[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012085025	0	32	0.0	-59.30	297.16	5.94	-53.36
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012085026	0	39	0.0	-55.99	327.83	8.90	-47.09
O=C([O-])C(F)(F)CC[NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1	REAL300012085027	0	36	0.0	-62.09	332.20	7.34	-54.75
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012085028	0	32	0.0	-59.86	293.51	5.71	-54.15
CC1=CC(N2C=CC(C(F)(F)F)=N2)=CC=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085029	0	42	0.0	-66.28	370.20	9.59	-56.69
CCOC1=CC=C(Cl)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085030	0	36	0.0	-53.37	321.62	7.67	-45.70
O=C([O-])C(F)(F)CC[NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1	REAL300012085031	0	36	0.0	-61.08	332.77	7.35	-53.73
O=C([O-])C(F)(F)CC[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012085032	0	36	0.0	-63.12	317.31	6.79	-56.33
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Br)C=CC=C1Br	REAL300012085033	0	29	0.0	-48.18	291.24	7.85	-40.33
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Br)C=CC=C1OC(F)F	REAL300012085034	0	33	0.0	-51.72	310.89	6.99	-44.73
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012085035	0	42	0.0	-58.47	339.53	7.92	-50.55
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012085036	0	36	0.0	-58.44	328.93	8.34	-50.10
O=C([O-])C(F)(F)CC[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012085037	0	29	0.0	-53.70	286.99	7.53	-46.17
CN(CCO)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=N1	REAL300012085038	0	40	0.0	-59.90	334.46	4.44	-55.46
COC1=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012085039	0	45	0.0	-52.95	348.42	8.60	-44.35
CN1C=C(Br)N=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085040	0	29	0.0	-61.58	276.43	5.73	-55.85
CC(C)(OCC1=CC=CC=C1)C1=CC=C(F)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012085041	0	52	0.0	-53.04	425.11	11.69	-41.35
O=C([O-])C(F)(F)CC[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012085042	0	35	0.0	-61.88	311.64	5.99	-55.89
CN1C(=O)C(C[NH2+]CCC(F)(F)C(=O)[O-])=CC2=CC=CC=C21	REAL300012085043	0	38	0.0	-58.86	321.55	7.64	-51.22
CC1=CC(C)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C)=C1Br	REAL300012085044	0	38	0.0	-56.53	324.34	9.02	-47.51
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012085045	0	39	0.0	-63.13	351.08	7.64	-55.49
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012085046	0	46	0.0	-63.01	376.69	7.12	-55.89
CC1=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012085047	0	32	0.0	-54.82	294.23	6.65	-48.17
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012085048	0	35	0.0	-62.25	317.99	7.64	-54.61
CCCN1N=C(C)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1Cl	REAL300012085049	0	38	0.0	-55.49	336.34	7.13	-48.36
CC(C)(C#N)C1=NC=C(C[NH2+]CCC(F)(F)C(=O)[O-])S1	REAL300012085050	0	35	0.0	-60.73	321.74	6.20	-54.53
COC1=CC=C(Br)C(F)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085051	0	33	0.0	-52.60	308.94	6.86	-45.74
O=C([O-])C(F)(F)CC[NH2+]CC1=C(F)C=C(C(F)(F)F)C=C1Br	REAL300012085052	0	32	0.0	-53.91	317.19	8.37	-45.54
N#CC1=CC(F)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(Br)=C1	REAL300012085053	0	30	0.0	-57.30	299.06	7.77	-49.53
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012085054	0	36	0.0	-58.38	320.45	9.29	-49.09
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012085055	0	35	0.0	-59.88	312.74	9.50	-50.38
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012085056	0	29	0.0	-61.46	295.02	7.97	-53.49
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012085057	0	46	0.0	-51.46	364.44	9.70	-41.76
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012085058	0	40	0.0	-60.99	360.31	10.23	-50.76
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012085059	0	49	0.0	-56.71	385.03	10.39	-46.32
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012085060	0	43	0.0	-54.63	381.65	10.74	-43.89
COC1=CC=CC(OC2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2)=C1	REAL300012085061	0	44	0.0	-64.15	373.08	9.01	-55.14
CCN1CCCC2=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C21	REAL300012085062	0	44	0.0	-55.97	343.82	7.88	-48.09
COCC1=CN=C(OC)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012085063	0	39	0.0	-55.94	334.96	3.41	-52.53
CN1N=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1Br	REAL300012085064	0	29	0.0	-55.63	277.83	5.08	-50.55
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012085065	0	44	0.0	-61.24	374.18	9.65	-51.59
COC1=C(Br)C=CC(F)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085066	0	33	0.0	-52.74	310.03	6.93	-45.81
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012085067	0	42	0.0	-60.88	364.20	11.58	-49.30
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Br)C=CC=C1OC(F)(F)F	REAL300012085068	0	33	0.0	-50.05	317.63	7.21	-42.84
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012085069	0	33	0.0	-60.98	311.29	8.32	-52.66
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300012085070	0	43	0.0	-58.46	382.89	10.67	-47.79
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012085071	0	42	0.0	-60.71	348.09	7.54	-53.17
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C=C1OC(F)F	REAL300012085072	0	33	0.0	-60.55	314.08	7.14	-53.41
CC1=C(C[NH2+]CCC(F)(F)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012085073	0	35	0.0	-58.74	315.43	9.00	-49.74
COC1=CC=C(F)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1OC	REAL300012085074	0	37	0.0	-52.13	320.29	6.19	-45.94
COC1=CC(OC)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C2=NC(Cl)=CC=C12	REAL300012085075	0	42	0.0	-49.79	368.19	6.57	-43.22
CC1=CC=C(F)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1Br	REAL300012085076	0	32	0.0	-49.51	296.48	7.95	-41.56
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012085077	0	52	0.0	-51.85	407.20	11.16	-40.69
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012085078	0	43	0.0	-56.79	354.48	9.22	-47.57
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OCCO	REAL300012085079	0	41	0.0	-65.00	347.04	3.90	-61.10
COC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1OCCO	REAL300012085080	0	41	0.0	-64.94	346.86	3.90	-61.04
CN1C=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012085081	0	39	0.0	-61.63	339.61	5.80	-55.83
COC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300012085082	0	48	0.0	-64.87	392.56	7.49	-57.38
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012085083	0	32	0.0	-61.84	288.91	7.96	-53.88
O=C([O-])C(F)(F)CC[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012085084	0	36	0.0	-53.34	329.79	7.64	-45.70
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012085085	0	38	0.0	-62.89	352.39	8.60	-54.29
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012085086	0	32	0.0	-51.58	299.17	6.01	-45.57
CS(=O)(=O)C1=C(C[NH2+]CCC(F)(F)C(=O)[O-])SC=C1	REAL300012085087	0	32	0.0	-62.15	297.12	3.50	-58.65
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012085088	0	32	0.0	-60.29	299.18	7.90	-52.39
CC(C)OC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1F	REAL300012085089	0	39	0.0	-63.19	330.59	7.79	-55.40
CS(=O)(=O)C1=CSC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012085090	0	32	0.0	-64.68	307.30	3.47	-61.21
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012085091	0	36	0.0	-61.57	330.63	8.60	-52.97
CC1=NN(C2CCCC2)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012085092	0	42	0.0	-61.57	343.15	7.95	-53.62
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Br)C=C(C(F)(F)F)S1	REAL300012085093	0	29	0.0	-56.82	305.38	7.70	-49.12
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012085094	0	37	0.0	-55.00	335.31	8.53	-46.47
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085095	0	39	0.0	-60.21	335.57	7.54	-52.67
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012085096	0	32	0.0	-60.83	296.36	8.34	-52.49
O=C([O-])C(F)(F)CC[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012085097	0	29	0.0	-52.40	293.81	7.85	-44.55
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012085098	0	36	0.0	-62.08	320.30	8.14	-53.94
COC1=NC(C)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C)=C1Cl	REAL300012085099	0	38	0.0	-62.66	329.49	5.09	-57.57
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085100	0	38	0.0	-60.57	329.79	7.19	-53.38
CC1=NN(C2CCCCC2)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085101	0	45	0.0	-58.46	359.38	8.51	-49.95
O=C([O-])C(F)(F)CC[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012085102	0	40	0.0	-59.52	330.49	5.51	-54.01
CC1=NN(C2CCOCC2)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085103	0	43	0.0	-59.28	350.09	6.10	-53.18
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012085104	0	34	0.0	-53.12	316.15	7.98	-45.14
NS(=O)(=O)C1=CSC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012085105	0	31	0.0	-65.00	300.88	0.87	-64.13
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012085106	0	44	0.0	-68.51	359.78	6.31	-62.20
CC1=NN(C2CCCC2)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085107	0	42	0.0	-58.48	340.41	7.90	-50.58
CC1=CC(Br)=C(F)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012085108	0	32	0.0	-57.26	301.41	8.19	-49.07
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012085109	0	29	0.0	-61.43	295.18	7.98	-53.45
COC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1Br	REAL300012085110	0	33	0.0	-54.47	299.78	6.77	-47.70
CN1C=C(C2=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C2)C=N1	REAL300012085111	0	39	0.0	-61.08	335.19	8.15	-52.93
COC1=CC(F)=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1Br	REAL300012085112	0	33	0.0	-57.64	309.51	6.87	-50.77
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012085113	0	39	0.0	-76.57	341.45	9.27	-67.30
CC1=CC=C(Br)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085114	0	32	0.0	-56.83	291.20	8.10	-48.73
COC1=NC2=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C2S1	REAL300012085115	0	35	0.0	-64.37	319.29	4.68	-59.69
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=NC(Br)=C1	REAL300012085116	0	28	0.0	-64.37	271.23	5.60	-58.77
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012085117	0	29	0.0	-57.32	288.49	7.87	-49.45
CC(C)(C)COC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012085118	0	45	0.0	-56.39	366.86	9.20	-47.19
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012085119	0	29	0.0	-58.13	296.87	8.03	-50.10
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012085120	0	32	0.0	-63.89	306.64	8.21	-55.68
COC(=O)C1=C(C)NC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1C	REAL300012085121	0	39	0.0	-65.25	338.57	6.55	-58.70
CC(C)(C)OC(=O)N1CCC2=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CC=C2C1	REAL300012085122	0	53	0.0	-62.34	420.95	10.06	-52.28
CC1=CC(Br)=CC(C)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085123	0	35	0.0	-57.60	309.34	8.54	-49.06
O=C([O-])C(F)(F)CC[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012085124	0	30	0.0	-54.49	288.52	4.59	-49.90
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012085125	0	32	0.0	-52.09	294.96	5.93	-46.16
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012085126	0	45	0.0	-55.41	356.92	10.67	-44.74
CC1=C(C[NH2+]CCC(F)(F)C(=O)[O-])SC(Br)=C1	REAL300012085127	0	29	0.0	-56.80	285.49	7.28	-49.52
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012085128	0	37	0.0	-64.06	324.25	7.21	-56.85
CCCN1N=C(C)C(Cl)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085129	0	38	0.0	-57.67	332.60	7.18	-50.49
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085130	0	41	0.0	-61.93	353.02	8.95	-52.98
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012085131	0	42	0.0	-57.03	357.86	11.33	-45.70
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=CC(Cl)=C1Br	REAL300012085132	0	29	0.0	-55.82	302.04	8.40	-47.42
CCCCC(=O)NC1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=C1	REAL300012085133	0	45	0.0	-61.98	374.46	8.13	-53.85
O=C([O-])C(F)(F)CC[NH2+]CC1=CSC(Br)=C1Br	REAL300012085134	0	26	0.0	-55.92	283.62	7.06	-48.86
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(Br)=C1Br	REAL300012085135	0	29	0.0	-55.87	290.31	7.96	-47.91
CCN(C)C1=CC=C(C[NH2+]CCC(F)(F)C(=O)[O-])C(C)=C1	REAL300012085136	0	43	0.0	-54.08	343.14	8.84	-45.24
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012085137	0	28	0.0	-56.86	282.16	6.05	-50.81
O=C([O-])C(F)(F)CC[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012085138	0	26	0.0	-55.66	276.52	6.90	-48.76
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085139	0	50	0.0	-55.26	382.86	9.05	-46.21
COC1=CC(C)=CC(OC)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085140	0	40	0.0	-48.50	332.60	6.24	-42.26
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012085141	0	33	0.0	-63.51	316.91	7.21	-56.30
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012085142	0	39	0.0	-61.92	343.64	9.69	-52.23
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012085143	0	38	0.0	-61.85	324.48	8.53	-53.32
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1	REAL300012085144	0	51	0.0	-58.80	413.99	11.77	-47.03
CC1=CC=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=C1C(F)(F)F	REAL300012085145	0	35	0.0	-56.81	299.91	8.48	-48.33
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(C(F)(F)F)C=C1Br	REAL300012085146	0	32	0.0	-58.19	309.91	8.41	-49.78
O=C([O-])C(F)(F)CC[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012085147	0	31	0.0	-63.23	298.83	6.18	-57.05
O=C([O-])C(F)(F)CC[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012085148	0	34	0.0	-61.03	320.63	7.22	-53.81
O=C([O-])C(F)(F)CC[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012085149	0	36	0.0	-59.37	315.81	5.53	-53.84
O=C([O-])C(F)(F)CC[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012085150	0	32	0.0	-58.83	313.54	9.02	-49.81
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085151	0	42	0.0	-59.42	354.37	9.39	-50.03
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(Br)C=C1Br	REAL300012085152	0	29	0.0	-55.66	292.47	8.03	-47.63
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012085153	0	29	0.0	-59.02	286.99	7.60	-51.42
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012085154	0	29	0.0	-58.89	295.73	7.98	-50.91
O=C([O-])C(F)(F)CC[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012085155	0	31	0.0	-69.42	304.57	8.15	-61.27
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085156	0	36	0.0	-61.15	315.56	8.77	-52.38
COC1=C(C[NH2+]CCC(F)(F)C(=O)[O-])C=CC(Br)=C1F	REAL300012085157	0	33	0.0	-61.69	311.26	6.93	-54.76
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012085158	0	32	0.0	-60.82	298.54	7.89	-52.93
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085159	0	47	0.0	-58.09	380.25	8.51	-49.58
O=C([O-])C(F)(F)CC[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012085160	0	35	0.0	-61.52	319.61	9.64	-51.88
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012085161	0	42	0.0	-58.47	342.67	3.87	-54.60
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=C(CN2C=C(Br)C=N2)C=C1	REAL300012085162	0	39	0.0	-60.13	360.54	9.13	-51.00
O=C([O-])C(F)(F)CC[NH2+]CC1=C(F)C=C(I)C=C1F	REAL300012085163	0	29	0.0	-53.62	293.29	8.01	-45.61
COC1=CC=C(OC)C(OC)=C1C[NH2+]CCC(F)(F)C(=O)[O-]	REAL300012085164	0	41	0.0	-51.07	343.13	5.51	-45.56
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012085165	0	46	0.0	-53.43	366.25	8.77	-44.66
O=C([O-])C(F)(F)CC[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012085166	0	43	0.0	-55.18	368.55	10.38	-44.80
CC1=CC(C[NH2+]CCC(F)(F)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012085167	0	38	0.0	-66.39	327.20	8.20	-58.19
COC1=CC=C(Br)C(C[NH2+]CCC(F)(F)C(=O)[O-])=C1O	REAL300012085168	0	34	0.0	-53.66	311.87	4.53	-49.13
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=C1	REAL300012085169	0	42	0.0	-40.20	334.35	7.76	-32.44
CC1=CC=C(C)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085170	0	42	0.0	-40.28	334.35	7.76	-32.52
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012085171	0	41	0.0	-44.01	339.23	6.83	-37.18
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085172	0	48	0.0	-41.52	375.14	8.83	-32.69
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012085173	0	43	0.0	-52.19	353.19	6.50	-45.69
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Br)O1	REAL300012085174	0	33	0.0	-44.68	301.39	5.37	-39.31
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085175	0	46	0.0	-35.81	373.44	8.60	-27.21
N#CCCN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012085176	0	50	0.0	-39.27	414.42	9.23	-30.04
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1OC(F)F	REAL300012085177	0	44	0.0	-34.66	364.14	6.31	-28.35
CCOC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1OC	REAL300012085178	0	47	0.0	-35.50	376.23	6.95	-28.55
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012085179	0	50	0.0	-43.04	408.47	9.84	-33.20
CCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085180	0	52	0.0	-42.79	416.12	9.14	-33.65
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012085181	0	45	0.0	-55.74	388.71	9.12	-46.62
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012085182	0	45	0.0	-50.28	386.53	9.04	-41.24
CC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1C	REAL300012085183	0	42	0.0	-29.66	324.46	7.89	-21.77
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1C	REAL300012085184	0	42	0.0	-31.27	334.05	8.04	-23.23
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1Br	REAL300012085185	0	40	0.0	-36.04	345.55	6.80	-29.24
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085186	0	46	0.0	-39.86	365.99	7.40	-32.46
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC	REAL300012085187	0	53	0.0	-35.26	419.23	8.53	-26.73
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC	REAL300012085188	0	50	0.0	-35.19	397.73	7.75	-27.44
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC	REAL300012085189	0	48	0.0	-35.59	389.14	7.53	-28.06
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012085190	0	43	0.0	-45.14	375.08	8.88	-36.26
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012085191	0	43	0.0	-47.14	375.24	8.92	-38.22
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012085192	0	43	0.0	-30.31	380.21	10.13	-20.18
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012085193	0	46	0.0	-43.20	383.18	8.18	-35.02
CCC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C2=CC=CC=C2O1	REAL300012085194	0	45	0.0	-42.78	368.71	8.42	-34.36
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012085195	0	45	0.0	-56.35	383.28	9.69	-46.66
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012085196	0	42	0.0	-46.11	370.19	7.37	-38.74
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012085197	0	40	0.0	-37.83	342.69	6.34	-31.49
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012085198	0	40	0.0	-30.83	352.03	8.30	-22.53
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012085199	0	43	0.0	-38.31	358.11	4.17	-34.14
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(Cl)=C1	REAL300012085200	0	40	0.0	-34.57	335.56	6.50	-28.07
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012085201	0	40	0.0	-32.24	342.95	6.67	-25.57
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012085202	0	45	0.0	-35.41	392.99	10.32	-25.09
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012085203	0	45	0.0	-34.83	392.24	10.33	-24.50
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012085204	0	43	0.0	-36.62	358.80	6.74	-29.88
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085205	0	46	0.0	-31.50	373.43	7.37	-24.13
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012085206	0	40	0.0	-35.27	330.92	5.67	-29.60
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085207	0	47	0.0	-37.00	378.51	5.85	-31.15
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012085208	0	39	0.0	-40.12	335.01	7.85	-32.27
CCOC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012085209	0	55	0.0	-41.04	426.43	6.64	-34.40
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012085210	0	42	0.0	-33.55	343.02	7.36	-26.19
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])O2)C=C1	REAL300012085211	0	46	0.0	-44.87	379.76	9.05	-35.82
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])O1	REAL300012085212	0	43	0.0	-38.02	351.33	6.31	-31.71
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012085213	0	42	0.0	-32.34	346.92	4.89	-27.45
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012085214	0	49	0.0	-39.96	397.24	5.85	-34.11
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012085215	0	51	0.0	-36.02	403.97	7.43	-28.59
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Cl)S1	REAL300012085216	0	33	0.0	-29.75	304.23	6.60	-23.15
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012085217	0	43	0.0	-31.63	371.21	9.72	-21.91
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012085218	0	41	0.0	-37.16	335.43	7.37	-29.79
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012085219	0	49	0.0	-32.81	394.61	8.34	-24.47
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085220	0	45	0.0	-46.26	371.17	5.55	-40.71
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012085221	0	43	0.0	-34.29	354.00	8.04	-26.25
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012085222	0	42	0.0	-40.32	348.94	9.35	-30.97
CC(C)N1N=CC2=CC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=C(Cl)N=C21	REAL300012085223	0	47	0.0	-30.21	394.49	7.93	-22.28
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012085224	0	43	0.0	-42.25	383.72	9.81	-32.44
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012085225	0	43	0.0	-43.21	377.49	9.51	-33.70
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(F)=CC=C1F	REAL300012085226	0	36	0.0	-41.26	312.24	6.64	-34.62
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012085227	0	39	0.0	-29.61	346.22	8.30	-21.31
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012085228	0	36	0.0	-33.51	312.50	7.28	-26.23
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012085229	0	36	0.0	-35.16	318.22	7.39	-27.77
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012085230	0	39	0.0	-37.27	339.95	7.88	-29.39
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085231	0	43	0.0	-41.52	351.64	6.78	-34.74
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1F	REAL300012085232	0	39	0.0	-30.17	322.35	7.54	-22.63
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012085233	0	36	0.0	-38.20	327.53	7.43	-30.77
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012085234	0	39	0.0	-50.66	335.25	7.70	-42.96
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012085235	0	36	0.0	-35.44	315.98	7.05	-28.39
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012085236	0	39	0.0	-43.84	345.40	7.61	-36.23
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012085237	0	39	0.0	-30.32	338.89	7.87	-22.45
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(Cl)=C1OC	REAL300012085238	0	44	0.0	-40.35	374.86	6.34	-34.01
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012085239	0	39	0.0	-44.44	337.64	8.09	-36.35
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012085240	0	36	0.0	-35.42	318.22	7.40	-28.02
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012085241	0	40	0.0	-32.18	351.59	7.03	-25.15
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012085242	0	43	0.0	-30.87	381.53	10.16	-20.71
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012085243	0	46	0.0	-32.52	379.40	5.37	-27.15
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CN=C1Cl	REAL300012085244	0	35	0.0	-45.60	306.15	5.15	-40.45
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012085245	0	49	0.0	-37.26	403.10	8.39	-28.87
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085246	0	45	0.0	-35.81	361.36	6.50	-29.31
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085247	0	45	0.0	-41.12	380.37	6.49	-34.63
COCCOC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085248	0	47	0.0	-43.52	385.25	6.05	-37.47
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1Cl	REAL300012085249	0	40	0.0	-36.08	341.16	6.68	-29.40
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012085250	0	41	0.0	-51.82	360.52	5.48	-46.34
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085251	0	48	0.0	-36.79	377.52	8.00	-28.79
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=N1	REAL300012085252	0	52	0.0	-35.89	415.10	6.79	-29.10
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012085253	0	43	0.0	-43.84	371.22	7.24	-36.60
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012085254	0	42	0.0	-41.54	343.13	5.77	-35.77
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012085255	0	45	0.0	-36.55	355.46	6.85	-29.70
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085256	0	48	0.0	-44.54	383.88	8.55	-35.99
CCCOC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085257	0	46	0.0	-41.29	373.12	7.58	-33.71
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012085258	0	43	0.0	-31.37	361.68	9.41	-21.96
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012085259	0	50	0.0	-40.83	393.05	8.71	-32.12
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085260	0	46	0.0	-41.78	367.39	7.32	-34.46
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012085261	0	49	0.0	-41.27	400.24	9.28	-31.99
CC1=CC=C(C2=NC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CS2)C=C1	REAL300012085262	0	45	0.0	-46.19	386.51	8.02	-38.17
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012085264	0	50	0.0	-43.24	415.25	10.00	-33.24
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012085265	0	46	0.0	-47.15	395.37	6.82	-40.33
CC1=CC=C(OCC2=NC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CS2)C=C1	REAL300012085266	0	49	0.0	-46.56	415.95	7.45	-39.11
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012085268	0	39	0.0	-45.35	354.82	6.24	-39.11
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012085269	0	43	0.0	-30.56	369.90	9.68	-20.88
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085270	0	50	0.0	-47.83	403.36	7.75	-40.08
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012085271	0	50	0.0	-39.88	390.78	8.75	-31.13
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])S2)C=C1	REAL300012085272	0	46	0.0	-31.10	386.21	10.33	-20.77
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012085273	0	42	0.0	-32.74	361.74	7.14	-25.60
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085274	0	40	0.0	-37.29	360.39	6.92	-30.37
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012085275	0	36	0.0	-38.18	332.10	7.53	-30.65
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012085276	0	36	0.0	-37.52	331.12	7.54	-29.98
CCOC1=C(OC)C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC	REAL300012085277	0	51	0.0	-35.86	409.41	6.88	-28.98
COCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085278	0	50	0.0	-42.58	405.49	6.61	-35.97
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CN=C1Cl	REAL300012085279	0	38	0.0	-42.63	328.61	5.70	-36.93
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085280	0	44	0.0	-33.15	364.33	5.80	-27.35
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012085281	0	40	0.0	-32.09	345.97	6.81	-25.28
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012085282	0	49	0.0	-33.49	400.94	8.71	-24.78
O=C(COC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-])NCC1CC1	REAL300012085283	0	54	0.0	-46.24	439.74	7.76	-38.48
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])S2)C=C1	REAL300012085284	0	45	0.0	-42.29	384.53	8.18	-34.11
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012085285	0	41	0.0	-41.24	356.73	7.60	-33.64
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012085286	0	41	0.0	-37.25	342.34	7.45	-29.80
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012085287	0	41	0.0	-41.80	346.44	7.16	-34.64
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012085288	0	41	0.0	-35.80	349.86	7.80	-28.00
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012085289	0	43	0.0	-47.64	375.00	8.61	-39.03
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])O1	REAL300012085290	0	46	0.0	-45.23	385.30	9.11	-36.12
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])O2)C=C1	REAL300012085291	0	49	0.0	-45.59	403.39	9.88	-35.71
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(OC(F)F)=C1	REAL300012085292	0	44	0.0	-37.10	364.32	5.81	-31.29
COC1=CC=C2OC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CC2=C1	REAL300012085293	0	43	0.0	-45.91	357.62	6.36	-39.55
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012085294	0	40	0.0	-32.73	343.40	8.65	-24.08
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C2=CC=CC=C2O1	REAL300012085295	0	42	0.0	-43.50	347.22	7.65	-35.85
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=COC2=CC=CC=C12	REAL300012085296	0	39	0.0	-35.26	323.55	7.20	-28.06
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012085297	0	44	0.0	-44.99	364.88	8.24	-36.75
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1Br	REAL300012085298	0	39	0.0	-29.69	335.12	8.02	-21.67
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012085299	0	40	0.0	-37.02	339.94	8.26	-28.76
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1Br	REAL300012085300	0	39	0.0	-31.64	335.13	8.02	-23.62
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012085301	0	43	0.0	-47.59	359.16	7.67	-39.92
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Cl)SC=C1	REAL300012085302	0	33	0.0	-41.52	304.43	6.10	-35.42
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012085303	0	41	0.0	-33.93	349.47	7.19	-26.74
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012085304	0	40	0.0	-31.68	334.02	6.85	-24.83
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012085305	0	40	0.0	-44.00	337.24	6.52	-37.48
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=N1	REAL300012085306	0	42	0.0	-46.44	349.29	4.14	-42.30
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC2=CC=CN=C12	REAL300012085307	0	44	0.0	-45.89	359.35	7.66	-38.23
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1Cl	REAL300012085308	0	39	0.0	-31.71	331.09	7.94	-23.77
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012085309	0	38	0.0	-43.27	329.98	5.96	-37.31
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])O2)C=C1	REAL300012085310	0	55	0.0	-45.34	436.62	10.77	-34.57
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085311	0	56	0.0	-40.07	430.10	9.56	-30.51
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085312	0	56	0.0	-41.07	442.34	9.76	-31.31
CCCC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085313	0	45	0.0	-32.11	361.35	9.09	-23.02
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085314	0	54	0.0	-43.82	435.08	11.32	-32.50
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1F	REAL300012085315	0	50	0.0	-35.62	396.10	8.00	-27.62
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C(SC)C=C1OC	REAL300012085316	0	48	0.0	-41.24	392.41	6.61	-34.63
COC1=CC=C2N=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])SC2=C1	REAL300012085317	0	42	0.0	-41.33	361.91	5.36	-35.97
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085318	0	42	0.0	-46.32	362.93	7.38	-38.94
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1C#N	REAL300012085319	0	41	0.0	-41.38	345.35	6.55	-34.83
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012085320	0	40	0.0	-45.17	350.08	7.82	-37.35
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085321	0	42	0.0	-30.47	343.56	8.35	-22.12
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012085322	0	40	0.0	-36.20	341.11	6.48	-29.72
CCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])N=C1	REAL300012085323	0	42	0.0	-45.95	346.67	4.92	-41.03
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085324	0	42	0.0	-41.78	351.68	8.09	-33.69
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC(Cl)=C1OC	REAL300012085325	0	44	0.0	-45.70	377.65	6.35	-39.35
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OCC(C)C	REAL300012085326	0	53	0.0	-34.99	417.84	8.43	-26.56
CCCOC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1OC	REAL300012085327	0	50	0.0	-35.33	397.73	7.75	-27.58
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Br)S1	REAL300012085328	0	33	0.0	-28.93	307.54	6.67	-22.26
CCOC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC(Cl)=C1OC	REAL300012085329	0	47	0.0	-43.26	400.83	7.31	-35.95
C=CCOC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085330	0	44	0.0	-41.08	363.23	7.32	-33.76
COC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1OC(C)C	REAL300012085331	0	50	0.0	-33.72	387.75	7.43	-26.29
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC	REAL300012085332	0	47	0.0	-46.06	400.82	7.34	-38.72
CCCOC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=CC=C1OCC	REAL300012085333	0	53	0.0	-28.83	420.72	8.86	-19.97
CCCCOC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1OC	REAL300012085334	0	53	0.0	-44.85	421.71	8.18	-36.67
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC(F)F	REAL300012085335	0	44	0.0	-48.26	366.61	5.96	-42.30
CCOC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1OC(F)F	REAL300012085336	0	47	0.0	-34.47	385.99	7.23	-27.24
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012085337	0	46	0.0	-34.78	375.51	7.92	-26.86
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-])OC(C)C2	REAL300012085338	0	51	0.0	-43.50	407.27	7.45	-36.05
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC2=C1OCCO2	REAL300012085339	0	46	0.0	-46.57	371.80	5.50	-41.07
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012085340	1	45	0.0	-52.42	394.74	7.98	-44.44
CCCCN1N=C(C)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1Cl	REAL300012085341	0	48	0.0	-39.48	403.22	7.61	-31.87
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1OC(F)F	REAL300012085342	0	47	0.0	-31.71	384.45	7.44	-24.27
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012085343	0	54	0.0	-47.10	434.49	8.72	-38.38
CC1=CC(C)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1C	REAL300012085344	0	45	0.0	-40.65	352.20	8.33	-32.32
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012085345	0	43	0.0	-31.13	364.81	9.65	-21.48
CCCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC	REAL300012085346	0	50	0.0	-45.02	420.17	8.07	-36.95
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012085347	0	43	0.0	-53.06	373.89	8.58	-44.48
CC(C)(C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-])C1=CC=CC=C1	REAL300012085348	0	45	0.0	-45.44	348.33	8.26	-37.18
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012085349	0	52	0.0	-42.49	407.10	8.09	-34.40
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085350	0	48	0.0	-46.96	377.96	9.40	-37.56
CCC1CCCC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C1	REAL300012085351	0	48	0.0	-32.05	348.16	8.15	-23.90
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-])=N2	REAL300012085352	1	48	0.0	-37.54	382.39	7.13	-30.41
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085353	0	42	0.0	-26.57	343.04	8.38	-18.19
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CC2=C1	REAL300012085354	0	45	0.0	-45.72	366.44	8.28	-37.44
CCCC1CCC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])CC1	REAL300012085355	0	51	0.0	-44.50	380.52	8.87	-35.63
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012085356	0	43	0.0	-34.71	365.77	7.08	-27.63
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012085357	0	43	0.0	-47.99	354.90	8.89	-39.10
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012085358	0	43	0.0	-49.76	368.91	8.56	-41.20
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012085359	0	42	0.0	-45.33	360.73	6.24	-39.09
CCCCC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C2=CC=CC=C2O1	REAL300012085360	0	51	0.0	-30.67	409.72	10.34	-20.33
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012085361	0	49	0.0	-38.13	403.87	11.54	-26.59
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085362	0	49	0.0	-31.74	398.37	8.98	-22.76
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012085363	0	45	0.0	-47.31	379.15	7.03	-40.28
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085364	0	43	0.0	-40.62	349.82	6.58	-34.04
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1F	REAL300012085365	0	40	0.0	-37.74	331.36	6.21	-31.53
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012085366	0	45	0.0	-32.39	348.33	7.87	-24.52
CC(C)C1CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])CCO1	REAL300012085367	0	49	0.0	-31.30	368.03	6.91	-24.39
CC1(C)CCC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])CC1	REAL300012085368	0	48	0.0	-43.94	355.25	7.76	-36.18
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012085369	0	43	0.0	-40.96	372.78	7.60	-33.36
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012085370	0	42	0.0	-55.07	376.71	7.13	-47.94
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012085371	0	42	0.0	-50.55	375.75	6.94	-43.61
CCSC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085372	0	43	0.0	-41.07	361.96	8.41	-32.66
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012085373	1	37	0.0	-28.86	326.82	4.55	-24.31
COC1(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])CCCCC1	REAL300012085374	0	46	0.0	-39.32	343.32	5.90	-33.42
CCN1N=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C2=CC=CC=C21	REAL300012085375	0	45	0.0	-43.79	370.70	7.30	-36.49
COCCC1(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])CCCCC1	REAL300012085376	0	52	0.0	-31.60	373.98	7.03	-24.57
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012085377	0	33	0.0	-41.90	326.66	6.81	-35.09
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085378	0	46	0.0	-42.37	371.80	7.54	-34.83
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012085379	0	39	0.0	-45.76	328.14	7.08	-38.68
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012085380	0	43	0.0	-45.84	360.52	8.44	-37.40
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1OC(C)C	REAL300012085381	0	50	0.0	-35.41	394.17	7.57	-27.84
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OCC	REAL300012085382	0	53	0.0	-35.07	419.59	8.67	-26.40
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012085383	0	41	0.0	-43.69	342.32	7.67	-36.02
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085384	0	46	0.0	-43.85	369.55	7.40	-36.45
CCCCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085385	0	58	0.0	-42.75	459.11	10.70	-32.05
CC(C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012085386	0	57	0.0	-31.48	428.61	11.19	-20.29
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1F	REAL300012085387	0	39	0.0	-32.39	322.35	7.53	-24.86
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012085388	0	40	0.0	-41.71	330.30	6.51	-35.20
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Br)C=CS1	REAL300012085389	0	33	0.0	-31.29	306.66	6.51	-24.78
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012085390	0	49	0.0	-41.06	382.63	6.01	-35.05
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012085391	0	36	0.0	-38.14	320.79	7.10	-31.04
CC(C)CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085392	0	48	0.0	-31.02	376.79	9.52	-21.50
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=C2)C=C1	REAL300012085393	0	49	0.0	-41.69	393.72	10.56	-31.13
COC1=CC=C(Br)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085394	0	40	0.0	-39.34	339.28	6.26	-33.08
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012085395	0	42	0.0	-55.90	353.63	7.21	-48.69
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012085396	0	36	0.0	-31.18	329.09	7.84	-23.34
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012085397	0	36	0.0	-43.04	323.41	7.13	-35.91
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085398	0	42	0.0	-39.95	330.09	7.53	-32.42
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Br)=CO1	REAL300012085399	0	33	0.0	-42.38	300.56	5.24	-37.14
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085400	0	49	0.0	-42.04	394.17	10.56	-31.48
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012085401	0	40	0.0	-44.12	339.54	6.13	-37.99
CCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OCC	REAL300012085402	0	50	0.0	-35.32	398.09	7.87	-27.45
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012085403	0	36	0.0	-35.83	317.93	7.38	-28.45
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012085404	0	39	0.0	-36.56	347.53	8.24	-28.32
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012085405	0	36	0.0	-32.84	314.49	7.34	-25.50
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012085406	0	40	0.0	-42.08	346.27	6.35	-35.73
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012085407	0	36	0.0	-39.65	320.40	7.01	-32.64
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085408	0	50	0.0	-33.85	405.19	9.93	-23.92
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012085409	0	36	0.0	-32.95	309.77	7.01	-25.94
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012085410	0	36	0.0	-38.57	317.39	7.36	-31.21
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C2=CC=CC=C12	REAL300012085411	0	46	0.0	-40.81	368.26	8.00	-32.81
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012085412	0	43	0.0	-41.87	355.29	6.39	-35.48
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012085412	1	43	0.0	-40.98	355.36	6.37	-34.61
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(F)=C1F	REAL300012085413	0	36	0.0	-41.28	308.82	6.96	-34.32
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085414	0	42	0.0	-38.86	346.67	6.91	-31.95
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=N1	REAL300012085415	0	39	0.0	-32.75	322.70	3.52	-29.23
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(Br)=C1O	REAL300012085416	0	41	0.0	-39.42	353.68	4.19	-35.23
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012085417	0	41	0.0	-33.04	331.54	6.67	-26.37
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC(Br)=C1	REAL300012085418	0	33	0.0	-33.71	308.63	6.54	-27.17
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012085419	0	46	0.0	-42.59	374.48	9.96	-32.63
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012085420	0	49	0.0	-37.77	401.75	8.44	-29.33
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012085421	0	47	0.0	-32.67	370.90	6.77	-25.90
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012085422	0	40	0.0	-42.15	331.43	6.57	-35.58
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085423	0	39	0.0	-42.18	321.50	7.23	-34.95
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012085424	0	36	0.0	-35.26	322.64	7.50	-27.76
CC1=NC(C)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085425	0	38	0.0	-31.70	322.01	5.34	-26.36
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012085426	0	45	0.0	-31.56	367.36	8.71	-22.85
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012085427	0	45	0.0	-44.14	369.49	8.19	-35.95
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012085428	0	45	0.0	-44.24	367.52	8.13	-36.11
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085429	0	51	0.0	-31.44	390.97	7.41	-24.03
CN1CCN(C2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=C2)CC1	REAL300012085430	1	53	0.0	-32.12	404.87	5.53	-26.59
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012085431	0	45	0.0	-36.58	378.31	5.36	-31.22
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085432	0	43	0.0	-47.70	356.74	4.84	-42.86
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012085433	0	43	0.0	-43.99	363.35	7.76	-36.23
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012085434	0	43	0.0	-44.44	375.82	8.29	-36.15
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012085435	0	43	0.0	-45.27	371.19	7.24	-38.03
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012085436	0	42	0.0	-33.67	343.09	9.11	-24.56
COC1=C2OC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CC2=CC=C1	REAL300012085437	0	43	0.0	-48.33	355.49	6.29	-42.04
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012085438	0	47	0.0	-42.36	380.73	9.33	-33.03
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012085439	0	39	0.0	-45.21	347.62	5.83	-39.38
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085440	0	52	0.0	-41.66	417.76	8.98	-32.68
CCOC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1OCC(C)C	REAL300012085441	0	56	0.0	-34.90	439.69	9.35	-25.55
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012085442	0	36	0.0	-39.57	324.97	7.11	-32.46
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012085443	0	36	0.0	-35.77	322.50	7.49	-28.28
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC(OC)=C1	REAL300012085444	0	44	0.0	-34.15	355.96	5.48	-28.67
COC1=CC2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=C2C=C1	REAL300012085445	0	46	0.0	-43.39	373.57	8.03	-35.36
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Br)=CS1	REAL300012085447	0	33	0.0	-41.39	311.96	6.28	-35.11
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OCC	REAL300012085448	0	56	0.0	-43.58	443.56	9.10	-34.48
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085449	0	49	0.0	-33.37	392.37	8.95	-24.42
COC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1OC(F)F	REAL300012085450	0	44	0.0	-40.87	364.96	6.05	-34.82
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012085451	1	40	0.0	-46.22	359.47	7.08	-39.14
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012085452	0	42	0.0	-29.59	345.99	5.88	-23.71
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012085454	0	36	0.0	-35.24	322.64	7.49	-27.75
CC1=CC=C(COC2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=C2)C=C1	REAL300012085455	0	53	0.0	-34.42	428.31	10.79	-23.63
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012085456	0	51	0.0	-31.57	388.59	8.11	-23.46
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085457	0	55	0.0	-40.72	436.32	9.88	-30.84
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1SC	REAL300012085458	0	44	0.0	-34.94	364.55	7.18	-27.76
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085459	0	47	0.0	-49.36	393.99	8.10	-41.26
CCCCCOC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1OC	REAL300012085460	0	56	0.0	-45.73	445.36	9.03	-36.70
CCC(C)OC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1OC	REAL300012085461	0	53	0.0	-44.43	417.39	8.01	-36.42
CCCCCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085462	0	58	0.0	-41.10	459.13	10.70	-30.40
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OCCCC#N	REAL300012085463	0	51	0.0	-51.15	423.22	7.99	-43.16
C=C(C)COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1OC	REAL300012085464	0	51	0.0	-35.39	408.55	8.31	-27.08
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OCCC(C)C	REAL300012085465	0	56	0.0	-35.02	436.80	9.05	-25.97
C=CCC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC(OC)=C1O	REAL300012085466	0	48	0.0	-43.65	392.98	5.62	-38.03
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012085467	0	43	0.0	-34.70	356.36	6.80	-27.90
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085468	0	45	0.0	-48.80	378.47	7.51	-41.29
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085469	0	46	0.0	-40.89	397.68	5.08	-35.81
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012085470	0	42	0.0	-50.40	351.02	6.30	-44.10
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012085471	1	42	0.0	-39.68	363.42	7.31	-32.37
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012085472	0	49	0.0	-35.89	389.68	5.97	-29.92
CN1C=NC2=CC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CC=C21	REAL300012085473	0	42	0.0	-41.79	345.35	8.20	-33.59
CCN1N=C(C)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1C	REAL300012085474	0	45	0.0	-40.78	362.65	6.16	-34.62
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1Cl	REAL300012085475	0	44	0.0	-36.10	375.92	8.19	-27.91
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012085476	0	42	0.0	-32.60	360.67	7.86	-24.74
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012085477	0	48	0.0	-36.33	383.38	6.74	-29.59
CC1(C)CC2=CC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CC=C2O1	REAL300012085478	0	47	0.0	-43.95	377.68	7.80	-36.15
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012085480	0	39	0.0	-46.14	354.58	6.30	-39.84
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085481	0	46	0.0	-40.62	377.97	7.07	-33.55
CC1=CC=C(F)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085482	0	39	0.0	-28.08	321.56	7.54	-20.54
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085483	0	39	0.0	-44.18	321.50	7.23	-36.95
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012085484	0	39	0.0	-42.70	354.40	8.00	-34.70
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012085485	0	36	0.0	-33.86	330.05	7.92	-25.94
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(Br)=C1	REAL300012085486	0	39	0.0	-32.05	329.51	7.94	-24.11
CC(C)COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085487	0	49	0.0	-42.25	391.90	8.23	-34.02
COCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085488	0	47	0.0	-44.63	383.92	6.01	-38.62
CC1(C)CCCC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C1	REAL300012085489	0	48	0.0	-31.55	351.96	8.08	-23.47
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012085490	0	40	0.0	-34.97	350.92	6.95	-28.02
CN1N=C(C2=CC=CC=C2)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1Cl	REAL300012085491	0	46	0.0	-30.01	390.42	8.32	-21.69
CC1=CCCC(C)C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085492	0	46	0.0	-39.88	344.13	7.85	-32.03
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-])OCO2	REAL300012085493	0	43	0.0	-33.81	349.80	4.85	-28.96
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012085494	0	41	0.0	-32.71	330.36	7.17	-25.54
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085495	0	49	0.0	-40.24	391.07	8.20	-32.04
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085496	0	39	0.0	-41.59	331.82	7.68	-33.91
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012085497	0	40	0.0	-33.30	333.08	8.20	-25.10
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012085498	0	35	0.0	-45.98	309.82	5.11	-40.87
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=CC(Br)=C1	REAL300012085499	0	35	0.0	-32.48	311.82	5.64	-26.84
CN1N=NC2=CC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CC=C21	REAL300012085500	0	41	0.0	-45.37	342.09	4.93	-40.44
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=C2O1	REAL300012085501	0	47	0.0	-40.99	377.56	7.76	-33.23
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012085502	0	41	0.0	-33.77	354.04	7.30	-26.47
COC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=N1	REAL300012085503	0	39	0.0	-46.65	327.43	3.21	-43.44
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012085504	0	46	0.0	-32.21	375.02	7.98	-24.23
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012085505	0	43	0.0	-32.64	355.37	8.07	-24.57
CC(C)N1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=N1	REAL300012085506	0	42	0.0	-46.28	343.28	5.75	-40.53
CC1=C(Br)SC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085507	0	36	0.0	-28.86	327.14	7.27	-21.59
CC1=NC2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=C2C=C1	REAL300012085508	0	44	0.0	-34.16	358.36	7.80	-26.36
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=C2)C=C1	REAL300012085509	0	51	0.0	-35.26	415.17	9.02	-26.24
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012085510	0	38	0.0	-43.24	319.48	5.50	-37.74
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=C2)=C1	REAL300012085511	0	52	0.0	-43.43	415.97	11.25	-32.18
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012085512	0	45	0.0	-35.16	364.56	10.28	-24.88
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012085513	0	39	0.0	-44.76	332.40	7.07	-37.69
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012085514	0	43	0.0	-46.72	364.63	7.10	-39.62
COCC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085515	0	43	0.0	-33.54	350.70	6.55	-26.99
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085516	0	46	0.0	-36.38	392.14	9.18	-27.20
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012085517	0	50	0.0	-44.14	417.95	9.90	-34.24
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085518	0	49	0.0	-33.14	388.63	8.71	-24.43
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012085519	0	47	0.0	-44.17	400.86	10.65	-33.52
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012085520	0	46	0.0	-33.45	371.92	7.68	-25.77
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC	REAL300012085521	0	47	0.0	-44.06	371.60	6.28	-37.78
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085522	0	42	0.0	-38.13	362.15	7.37	-30.76
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085523	0	42	0.0	-32.46	355.12	4.84	-27.62
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085524	0	45	0.0	-34.35	378.33	6.29	-28.06
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012085525	0	40	0.0	-31.24	342.46	5.68	-25.56
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085526	0	40	0.0	-32.71	352.50	8.39	-24.32
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012085527	0	46	0.0	-51.33	390.93	8.29	-43.04
CC1CCC2=C(C1)SC(C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-])=N2	REAL300012085528	1	45	0.0	-38.57	369.58	6.90	-31.67
CC(C)(C)C1CCC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])CC1	REAL300012085529	0	54	0.0	-29.55	378.43	8.90	-20.65
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085530	0	50	0.0	-35.72	399.23	9.66	-26.06
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085531	0	50	0.0	-33.37	397.89	9.61	-23.76
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085532	0	49	0.0	-36.42	394.40	7.90	-28.52
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012085533	0	47	0.0	-42.48	381.98	8.32	-34.16
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1Cl	REAL300012085534	0	40	0.0	-40.44	353.24	6.73	-33.71
CC(C)CC1=NC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085535	0	44	0.0	-42.07	368.11	6.73	-35.34
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012085536	0	39	0.0	-31.67	352.53	6.93	-24.74
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012085537	0	39	0.0	-42.99	356.43	6.52	-36.47
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])S2)O1	REAL300012085538	0	42	0.0	-33.22	366.67	6.80	-26.42
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085539	0	39	0.0	-41.57	336.40	7.78	-33.79
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012085540	0	36	0.0	-34.46	331.76	7.90	-26.56
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012085541	0	43	0.0	-36.59	351.04	6.89	-29.70
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012085542	0	45	0.0	-40.32	371.90	8.55	-31.77
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012085543	0	39	0.0	-32.51	339.78	7.78	-24.73
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085544	0	47	0.0	-36.46	380.58	6.43	-30.03
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012085545	0	36	0.0	-32.25	324.82	7.79	-24.46
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085546	0	40	0.0	-29.13	346.20	6.96	-22.17
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012085547	1	39	0.0	-38.91	329.57	5.68	-33.23
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012085548	0	43	0.0	-36.25	355.04	7.02	-29.23
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012085549	0	50	0.0	-31.51	405.59	9.61	-21.90
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012085550	0	47	0.0	-30.83	400.08	10.23	-20.60
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085551	0	55	0.0	-33.75	419.11	10.21	-23.54
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085552	0	40	0.0	-34.04	326.46	6.18	-27.86
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012085553	0	43	0.0	-46.52	366.92	8.51	-38.01
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085554	0	44	0.0	-32.50	363.80	6.66	-25.84
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012085555	0	42	0.0	-45.31	342.61	5.63	-39.68
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(Br)=C1	REAL300012085556	0	36	0.0	-41.30	321.56	7.17	-34.13
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012085557	0	36	0.0	-41.43	316.99	7.06	-34.37
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012085558	0	43	0.0	-47.31	359.09	7.76	-39.55
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012085559	0	46	0.0	-44.68	397.12	8.69	-35.99
CC(C)(C)N1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=N1	REAL300012085560	0	45	0.0	-42.56	363.02	6.37	-36.19
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC(C)=C1	REAL300012085561	0	42	0.0	-31.19	338.47	8.15	-23.04
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085562	0	43	0.0	-47.35	356.64	5.43	-41.92
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1Cl	REAL300012085563	0	36	0.0	-27.62	307.51	7.30	-20.32
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012085564	0	38	0.0	-44.81	327.18	7.18	-37.63
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012085565	0	38	0.0	-37.73	325.17	7.55	-30.18
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012085566	0	42	0.0	-33.71	334.55	8.93	-24.78
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085567	0	44	0.0	-42.30	350.05	6.90	-35.40
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085568	0	50	0.0	-31.49	390.77	9.14	-22.35
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Br)C=C1	REAL300012085569	0	36	0.0	-43.16	321.55	7.18	-35.98
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012085570	0	36	0.0	-43.30	316.99	7.07	-36.23
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC(OC)=C1OC	REAL300012085571	0	48	0.0	-36.70	388.88	5.98	-30.72
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012085572	0	36	0.0	-30.39	316.31	7.31	-23.08
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012085573	0	40	0.0	-34.58	334.85	6.52	-28.06
COC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1OC	REAL300012085574	0	44	0.0	-29.63	355.52	6.19	-23.44
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012085575	0	36	0.0	-32.95	322.84	7.72	-25.23
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012085576	0	49	0.0	-33.62	380.98	5.70	-27.92
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC	REAL300012085577	0	44	0.0	-35.60	354.38	6.03	-29.57
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(OC)=C1	REAL300012085578	0	44	0.0	-35.85	354.59	5.53	-30.32
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012085579	0	39	0.0	-32.84	334.38	7.83	-25.01
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C=C1F	REAL300012085580	0	36	0.0	-36.38	307.61	6.92	-29.46
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012085581	0	36	0.0	-35.34	321.28	7.67	-27.67
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012085582	0	36	0.0	-34.43	327.55	7.80	-26.63
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012085583	0	40	0.0	-46.21	339.52	6.13	-40.08
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012085584	0	39	0.0	-49.17	326.72	7.54	-41.63
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085585	0	49	0.0	-42.85	394.62	8.36	-34.49
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085586	0	52	0.0	-42.27	410.86	8.84	-33.43
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085587	0	55	0.0	-42.75	437.61	9.92	-32.83
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012085588	0	47	0.0	-41.33	387.66	9.35	-31.98
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(OCCC)=C1	REAL300012085589	0	56	0.0	-34.25	439.95	8.95	-25.30
COC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085590	0	40	0.0	-40.89	327.61	5.78	-35.11
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085591	0	43	0.0	-43.60	347.93	8.33	-35.27
CCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC	REAL300012085592	0	47	0.0	-35.48	376.23	6.95	-28.53
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085593	0	45	0.0	-41.56	359.16	8.44	-33.12
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012085594	0	39	0.0	-42.21	339.01	7.55	-34.66
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(OC)=C1OC	REAL300012085595	0	48	0.0	-39.77	389.99	5.68	-34.09
CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085596	0	43	0.0	-33.25	345.63	7.13	-26.12
CCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085597	0	43	0.0	-42.60	350.30	6.74	-35.86
COC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085598	0	40	0.0	-39.81	326.19	5.85	-33.96
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085599	0	40	0.0	-41.23	347.54	6.45	-34.78
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC(Br)=C1O	REAL300012085600	0	41	0.0	-45.63	359.61	4.28	-41.35
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012085601	0	46	0.0	-43.39	373.16	9.93	-33.46
COC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012085602	0	46	0.0	-32.85	366.01	8.31	-24.54
CSC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085603	0	40	0.0	-33.10	335.85	7.86	-25.24
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012085604	0	36	0.0	-28.93	322.08	7.60	-21.33
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085605	0	48	0.0	-43.73	387.02	5.12	-38.61
CCC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085606	0	42	0.0	-42.19	343.15	8.00	-34.19
CC1=CC(C)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=C1	REAL300012085607	0	45	0.0	-29.48	346.31	8.43	-21.05
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(F)C=CC=C1F	REAL300012085608	0	36	0.0	-32.03	306.25	6.87	-25.16
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012085609	0	36	0.0	-36.53	308.34	6.95	-29.58
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085610	0	46	0.0	-34.07	389.03	8.81	-25.26
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012085611	0	50	0.0	-41.76	409.37	9.76	-32.00
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1Br	REAL300012085612	0	36	0.0	-27.50	311.09	7.42	-20.08
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1O	REAL300012085613	0	41	0.0	-36.51	335.89	3.97	-32.54
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085614	0	42	0.0	-35.49	336.74	5.57	-29.92
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085615	0	39	0.0	-39.43	337.09	5.15	-34.28
CCC1=NN(C)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085616	0	42	0.0	-42.58	344.21	5.68	-36.90
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012085617	0	39	0.0	-45.64	342.48	5.72	-39.92
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012085618	0	48	0.0	-33.79	362.93	6.81	-26.98
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1I	REAL300012085619	0	36	0.0	-27.72	317.71	7.89	-19.83
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085620	0	48	0.0	-36.03	389.81	8.69	-27.34
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012085621	0	46	0.0	-32.64	375.74	8.57	-24.07
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1OC	REAL300012085622	0	47	0.0	-35.00	377.14	7.06	-27.94
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OCC(N)=O	REAL300012085623	0	48	0.0	-42.15	392.96	3.99	-38.16
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085624	0	42	0.0	-41.30	355.99	7.39	-33.91
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC2=C1OCO2	REAL300012085625	0	43	0.0	-48.10	355.86	4.50	-43.60
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012085626	0	42	0.0	-45.83	352.54	6.26	-39.57
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-])OC(C)C2	REAL300012085627	0	48	0.0	-32.52	380.79	6.80	-25.72
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CS1	REAL300012085628	0	45	0.0	-55.31	376.94	6.30	-49.01
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1C	REAL300012085629	0	43	0.0	-33.08	345.21	6.88	-26.20
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085630	0	45	0.0	-33.64	339.42	5.51	-28.13
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085631	0	44	0.0	-32.37	351.94	5.55	-26.82
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085632	0	40	0.0	-43.82	334.27	5.89	-37.93
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(I)=C1	REAL300012085633	0	36	0.0	-41.03	328.04	7.65	-33.38
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(I)C=C1	REAL300012085634	0	36	0.0	-43.01	328.04	7.66	-35.35
CSC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085635	0	37	0.0	-30.20	329.16	7.16	-23.04
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085636	0	49	0.0	-30.64	383.36	10.56	-20.08
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012085637	0	39	0.0	-40.33	326.27	5.20	-35.13
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Cl)C=CS1	REAL300012085638	0	33	0.0	-32.00	302.49	6.42	-25.58
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085639	0	42	0.0	-50.05	360.96	4.08	-45.97
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012085640	0	46	0.0	-44.20	389.88	10.45	-33.75
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085641	0	40	0.0	-41.99	332.65	5.91	-36.08
NC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085642	0	40	0.0	-47.19	333.48	3.29	-43.90
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1F	REAL300012085643	0	40	0.0	-34.76	331.36	6.20	-28.56
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085644	0	40	0.0	-42.25	345.14	6.43	-35.82
COC(=O)C1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CN1C	REAL300012085645	0	43	0.0	-51.52	357.52	6.67	-44.85
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1Cl	REAL300012085646	0	39	0.0	-29.82	331.09	7.94	-21.88
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1C	REAL300012085647	0	43	0.0	-32.08	345.21	6.88	-25.20
CC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1F	REAL300012085648	0	39	0.0	-37.03	322.85	7.54	-29.49
N#CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(F)=C1	REAL300012085649	0	37	0.0	-39.39	322.02	7.24	-32.15
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012085650	0	49	0.0	-44.20	404.30	8.14	-36.06
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Br)C=N1	REAL300012085651	0	35	0.0	-45.00	314.40	5.24	-39.76
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012085652	0	45	0.0	-32.95	369.32	4.15	-28.80
C#CCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085653	0	45	0.0	-43.78	377.58	8.06	-35.72
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012085654	0	39	0.0	-49.82	327.24	7.06	-42.76
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=C12	REAL300012085655	0	44	0.0	-35.82	361.91	6.56	-29.26
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012085658	0	39	0.0	-47.94	343.95	7.56	-40.38
CCOCC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1OC	REAL300012085659	0	50	0.0	-44.89	401.70	6.69	-38.20
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085660	0	40	0.0	-45.69	334.83	3.33	-42.36
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012085661	0	39	0.0	-50.45	335.32	5.97	-44.48
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012085662	0	45	0.0	-47.47	391.16	6.01	-41.46
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1CCCCCCC1	REAL300012085663	0	48	0.0	-29.98	338.39	8.00	-21.98
COC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1F	REAL300012085664	0	40	0.0	-40.15	330.52	6.16	-33.99
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012085665	0	36	0.0	-29.74	318.85	7.36	-22.38
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012085666	0	43	0.0	-41.50	343.62	8.39	-33.11
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC=C1Br	REAL300012085667	0	33	0.0	-36.75	306.40	5.99	-30.76
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085668	0	49	0.0	-33.89	388.56	8.66	-25.23
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012085669	1	42	0.0	-38.79	348.78	6.29	-32.50
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012085670	0	36	0.0	-43.02	327.97	7.24	-35.78
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012085671	0	41	0.0	-45.45	341.27	7.02	-38.43
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012085672	0	36	0.0	-35.86	313.80	7.32	-28.54
COC1=CC(F)=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085673	0	40	0.0	-42.40	334.03	5.84	-36.56
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012085674	0	36	0.0	-38.47	321.80	7.47	-31.00
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=N1	REAL300012085675	0	46	0.0	-43.61	370.57	6.47	-37.14
CS(=O)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085676	0	41	0.0	-48.93	351.15	5.11	-43.82
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012085677	0	46	0.0	-32.20	359.67	9.36	-22.84
COC(=O)C1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CN1	REAL300012085678	0	40	0.0	-44.79	341.94	4.98	-39.81
COCC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])O1	REAL300012085679	1	40	0.0	-46.40	336.58	4.57	-41.83
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=C1OC	REAL300012085680	0	47	0.0	-42.38	371.86	6.37	-36.01
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012085681	0	33	0.0	-35.47	317.93	6.88	-28.59
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085682	0	38	0.0	-42.52	316.61	5.29	-37.23
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085683	0	43	0.0	-33.23	345.21	6.86	-26.37
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012085684	0	35	0.0	-44.49	326.34	4.96	-39.53
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085685	0	42	0.0	-46.48	359.65	4.02	-42.46
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=CS1	REAL300012085686	0	33	0.0	-41.55	307.37	6.17	-35.38
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012085687	0	49	0.0	-31.74	380.51	10.07	-21.67
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085688	0	39	0.0	-44.04	338.40	7.72	-36.32
COCC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085689	0	43	0.0	-33.60	352.02	6.61	-26.99
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012085690	0	43	0.0	-37.66	355.64	8.14	-29.52
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012085691	0	43	0.0	-32.20	346.20	8.97	-23.23
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NC=C(Cl)S1	REAL300012085692	0	32	0.0	-38.29	300.79	4.27	-34.02
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012085693	0	46	0.0	-40.29	363.23	6.96	-33.33
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085694	0	46	0.0	-34.59	369.46	8.47	-26.12
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012085695	0	39	0.0	-36.63	331.12	7.81	-28.82
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=N1	REAL300012085696	0	45	0.0	-41.06	358.02	4.19	-36.87
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085697	0	40	0.0	-30.14	337.87	6.59	-23.55
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085698	0	46	0.0	-32.03	356.88	7.35	-24.68
CC1=NC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])N1C1=CC=CC=C1	REAL300012085699	0	46	0.0	-33.94	374.66	9.11	-24.83
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1C	REAL300012085700	0	48	0.0	-44.18	383.11	6.87	-37.31
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012085701	0	41	0.0	-34.96	338.97	6.52	-28.44
COCCN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=N1	REAL300012085702	0	43	0.0	-47.13	358.28	4.27	-42.86
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012085703	0	46	0.0	-31.21	361.40	9.42	-21.79
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC2=CC=CC=C21	REAL300012085704	0	46	0.0	-43.89	373.42	8.12	-35.77
CCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1F	REAL300012085705	0	43	0.0	-37.63	353.21	7.13	-30.50
COC1=CC=CC2=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=CC=C12	REAL300012085706	0	46	0.0	-33.45	360.89	8.21	-25.24
N#CC1=CSC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085707	0	34	0.0	-45.79	311.53	6.07	-39.72
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1C#N	REAL300012085708	0	41	0.0	-37.49	345.34	6.54	-30.95
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085709	0	46	0.0	-41.57	374.16	8.38	-33.19
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012085710	0	35	0.0	-39.36	324.30	4.83	-34.53
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1C#N	REAL300012085711	0	40	0.0	-35.19	335.64	7.73	-27.46
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012085712	0	43	0.0	-44.53	362.86	4.81	-39.72
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(Br)=C1	REAL300012085713	0	40	0.0	-33.88	337.55	6.56	-27.32
CC(C)CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=N1	REAL300012085714	0	45	0.0	-46.98	365.92	6.76	-40.22
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012085715	0	43	0.0	-39.60	341.14	8.46	-31.14
CC1=CC(Br)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085716	0	36	0.0	-37.53	330.50	6.95	-30.58
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085717	0	51	0.0	-42.54	409.96	9.26	-33.28
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085718	0	46	0.0	-30.81	386.04	9.57	-21.24
CCC1=CN=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085719	1	38	0.0	-38.99	328.45	5.27	-33.72
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CC=C21	REAL300012085720	0	47	0.0	-37.93	371.52	7.72	-30.21
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085721	0	43	0.0	-34.09	356.27	7.19	-26.90
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012085722	0	42	0.0	-43.27	382.02	8.10	-35.17
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012085723	0	42	0.0	-37.18	366.49	8.14	-29.04
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085724	0	53	0.0	-33.00	421.24	10.34	-22.66
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012085725	0	47	0.0	-32.83	395.36	9.26	-23.57
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085726	0	45	0.0	-34.63	357.65	6.58	-28.05
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012085727	0	45	0.0	-41.01	370.02	7.10	-33.91
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012085728	0	42	0.0	-45.58	373.45	7.80	-37.78
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012085729	0	39	0.0	-32.72	334.87	6.51	-26.21
CC(C)C1=NC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085730	0	41	0.0	-42.07	349.24	5.86	-36.21
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012085731	0	39	0.0	-44.40	345.91	5.58	-38.82
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012085732	0	36	0.0	-34.29	331.76	7.90	-26.39
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012085733	0	48	0.0	-42.36	407.70	8.99	-33.37
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=C2)C=N1	REAL300012085734	0	46	0.0	-46.22	379.06	7.81	-38.41
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012085735	0	39	0.0	-48.31	336.27	5.47	-42.84
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012085736	0	47	0.0	-34.67	390.77	9.74	-24.93
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012085737	0	46	0.0	-30.42	381.46	8.05	-22.37
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012085738	0	47	0.0	-32.67	395.89	8.38	-24.29
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])N1	REAL300012085739	0	44	0.0	-46.20	357.17	4.73	-41.47
NC(=O)C1=CSC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085740	0	37	0.0	-41.40	321.98	2.69	-38.71
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=N1	REAL300012085741	0	50	0.0	-45.23	408.64	8.98	-36.25
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085742	0	48	0.0	-40.97	385.14	6.77	-34.20
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012085743	0	42	0.0	-31.60	350.20	6.94	-24.66
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012085744	0	43	0.0	-34.88	359.70	5.04	-29.84
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])N=N1	REAL300012085745	0	45	0.0	-49.93	372.17	7.20	-42.73
CN1N=C(Br)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085746	0	36	0.0	-40.69	320.23	4.54	-36.15
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])S2)C=N1	REAL300012085747	0	43	0.0	-34.24	369.60	7.52	-26.72
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012085748	0	48	0.0	-46.64	377.16	7.35	-39.29
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085749	0	43	0.0	-34.11	361.05	7.69	-26.42
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085750	0	42	0.0	-27.06	334.68	7.97	-19.09
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012085751	0	36	0.0	-45.53	332.00	7.52	-38.01
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012085752	0	36	0.0	-46.10	313.58	4.32	-41.78
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085753	0	47	0.0	-41.62	384.66	6.91	-34.71
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012085754	0	40	0.0	-31.31	345.62	6.69	-24.62
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012085755	0	43	0.0	-30.38	358.26	7.80	-22.58
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012085756	0	49	0.0	-49.49	396.08	8.69	-40.80
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012085757	0	49	0.0	-34.82	388.06	8.20	-26.62
CC1=CC(Br)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1Cl	REAL300012085759	0	39	0.0	-38.36	345.31	8.04	-30.32
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012085760	0	46	0.0	-33.22	396.19	8.85	-24.37
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012085762	0	39	0.0	-40.90	334.43	5.94	-34.96
N#CCCN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300012085763	0	49	0.0	-34.83	412.38	7.61	-27.22
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012085764	0	42	0.0	-38.81	360.03	10.13	-28.68
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085765	0	46	0.0	-43.54	378.31	7.06	-36.48
COCCCN1N=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085766	0	46	0.0	-32.64	355.04	5.58	-27.06
CC1=CC(F)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(Cl)=C1	REAL300012085767	0	39	0.0	-39.79	341.03	7.66	-32.13
COCCOCC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085768	0	50	0.0	-34.13	406.18	6.79	-27.34
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012085770	0	36	0.0	-36.89	314.45	6.80	-30.09
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012085771	0	42	0.0	-45.03	369.41	9.07	-35.96
CCN1N=C(C)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=N1	REAL300012085772	0	41	0.0	-44.30	337.25	4.06	-40.24
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012085773	0	50	0.0	-45.07	423.69	8.96	-36.11
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012085774	0	43	0.0	-41.79	349.48	8.65	-33.14
N#CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1F	REAL300012085775	0	37	0.0	-39.47	322.39	7.27	-32.20
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012085776	0	39	0.0	-33.04	336.57	5.98	-27.06
CC1=CC(F)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(F)=C1	REAL300012085777	0	39	0.0	-32.21	329.00	7.59	-24.62
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])O1	REAL300012085778	0	46	0.0	-38.38	374.31	7.64	-30.74
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085779	0	45	0.0	-30.42	352.99	6.34	-24.08
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012085780	0	35	0.0	-28.21	325.21	6.10	-22.11
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CN1	REAL300012085781	0	43	0.0	-40.09	352.68	5.83	-34.26
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])S2)C=C1C	REAL300012085782	0	48	0.0	-33.39	400.34	9.10	-24.29
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085783	0	46	0.0	-45.60	383.14	8.50	-37.10
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085784	0	46	0.0	-44.07	390.86	9.04	-35.03
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085785	0	49	0.0	-35.58	394.84	9.28	-26.30
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085786	0	46	0.0	-47.05	375.56	8.46	-38.59
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085787	0	45	0.0	-29.41	345.40	8.50	-20.91
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NN2CCCCC2=C1	REAL300012085788	0	43	0.0	-44.46	342.71	5.80	-38.66
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012085789	0	42	0.0	-40.83	346.10	6.03	-34.80
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012085790	0	38	0.0	-46.51	320.72	5.27	-41.24
COC1=CC(OC)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1F	REAL300012085791	0	44	0.0	-45.30	364.02	5.29	-40.01
COC1=CC(F)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC	REAL300012085792	0	44	0.0	-45.03	361.36	5.72	-39.31
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(Cl)=C1	REAL300012085793	0	39	0.0	-32.78	327.52	7.88	-24.90
CCC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085794	0	42	0.0	-31.34	338.53	8.26	-23.08
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085795	0	49	0.0	-43.57	400.21	9.02	-34.55
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(F)=C1	REAL300012085796	0	40	0.0	-38.53	332.01	6.18	-32.35
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012085797	0	43	0.0	-41.61	344.47	8.38	-33.23
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085798	0	40	0.0	-30.60	329.13	6.20	-24.40
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=C1	REAL300012085799	0	49	0.0	-41.38	387.93	8.19	-33.19
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012085800	0	38	0.0	-32.29	329.08	6.62	-25.67
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C2CCCN2N=C1	REAL300012085801	0	40	0.0	-47.23	324.58	5.08	-42.15
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012085802	0	39	0.0	-44.35	347.28	7.62	-36.73
CCC1=C2OC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CC2=CC=C1	REAL300012085803	0	45	0.0	-44.69	368.89	8.43	-36.26
C=CCCN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])N=N1	REAL300012085804	0	42	0.0	-51.49	352.80	5.21	-46.28
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=NN1CC1CC1	REAL300012085805	0	43	0.0	-41.77	353.43	6.56	-35.21
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012085806	0	44	0.0	-41.24	361.56	7.83	-33.41
CCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=C1	REAL300012085807	0	46	0.0	-31.47	358.10	7.55	-23.92
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012085808	0	40	0.0	-35.22	339.98	6.53	-28.69
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012085809	0	40	0.0	-31.64	339.93	6.55	-25.09
COC1=NC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085810	0	39	0.0	-40.26	325.99	3.33	-36.93
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012085811	0	49	0.0	-41.18	383.19	9.72	-31.46
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=N1	REAL300012085812	0	46	0.0	-35.79	376.47	5.67	-30.12
COCC1=CSC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085813	0	40	0.0	-42.86	343.63	5.31	-37.55
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012085814	0	42	0.0	-50.54	342.44	5.02	-45.52
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012085815	0	42	0.0	-31.16	377.39	8.38	-22.78
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012085816	0	36	0.0	-41.62	328.73	6.62	-35.00
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012085817	0	36	0.0	-46.10	320.02	5.83	-40.27
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012085818	0	36	0.0	-27.68	317.78	6.92	-20.76
CN(C)C1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=CC(F)=C1F	REAL300012085819	0	44	0.0	-40.88	359.92	6.61	-34.27
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012085820	0	36	0.0	-30.67	322.18	7.35	-23.32
CC(C)OC1=CC(Cl)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1Cl	REAL300012085821	0	46	0.0	-40.79	396.19	8.41	-32.38
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012085822	0	48	0.0	-33.61	381.01	6.46	-27.15
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1F	REAL300012085823	0	44	0.0	-44.09	365.68	6.14	-37.95
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085824	0	50	0.0	-42.88	401.93	8.29	-34.59
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012085825	0	36	0.0	-49.31	315.25	6.65	-42.66
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012085826	0	43	0.0	-42.88	367.17	6.80	-36.08
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC	REAL300012085827	0	48	0.0	-46.36	413.73	7.92	-38.44
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC1CC1	REAL300012085828	0	48	0.0	-45.85	388.72	7.38	-38.47
CCCN1N=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085829	0	42	0.0	-32.39	332.12	5.96	-26.43
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085830	0	39	0.0	-42.56	342.25	5.12	-37.44
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085831	0	50	0.0	-45.84	401.85	6.76	-39.08
CCCC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085832	0	42	0.0	-42.61	355.35	8.02	-34.59
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012085833	0	43	0.0	-33.50	363.01	9.45	-24.05
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012085834	0	49	0.0	-31.65	385.16	8.62	-23.03
CC(C)C1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085835	0	45	0.0	-41.69	360.49	8.47	-33.22
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(Cl)=N1	REAL300012085836	0	36	0.0	-29.99	315.04	5.05	-24.94
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012085837	0	43	0.0	-38.35	365.57	7.53	-30.82
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1C(C)(C)C	REAL300012085838	0	52	0.0	-32.40	396.30	8.82	-23.58
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012085839	0	49	0.0	-30.85	386.69	10.34	-20.51
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085840	0	44	0.0	-39.71	370.92	5.69	-34.02
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=NC=C1Br	REAL300012085841	0	38	0.0	-45.49	335.08	5.90	-39.59
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C(Br)C=C1F	REAL300012085842	0	39	0.0	-27.55	339.08	8.16	-19.39
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012085843	0	37	0.0	-32.22	320.26	4.44	-27.78
CN1C=C(C2=NC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CS2)C=N1	REAL300012085844	0	42	0.0	-49.35	367.62	5.06	-44.29
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1Cl	REAL300012085845	0	40	0.0	-33.48	341.16	6.68	-26.80
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012085846	0	46	0.0	-31.06	364.20	7.18	-23.88
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012085847	0	42	0.0	-51.29	357.43	6.36	-44.93
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012085848	0	42	0.0	-44.09	347.23	8.05	-36.04
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(Br)=N1	REAL300012085849	0	36	0.0	-29.72	319.08	5.12	-24.60
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(F)=C1	REAL300012085850	0	39	0.0	-35.72	322.61	7.54	-28.18
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085851	0	43	0.0	-50.35	356.08	5.46	-44.89
CN1N=CC2=CC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CN=C21	REAL300012085852	0	41	0.0	-39.24	341.29	6.00	-33.24
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012085853	0	35	0.0	-41.51	321.92	5.34	-36.17
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC	REAL300012085854	0	44	0.0	-42.37	366.42	6.08	-36.29
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012085855	0	42	0.0	-44.99	359.93	8.30	-36.69
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085856	0	46	0.0	-41.92	364.45	6.54	-35.38
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C(C)N1	REAL300012085857	0	49	0.0	-41.47	400.60	6.95	-34.52
CC1=C(C)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CS1	REAL300012085858	0	39	0.0	-40.98	326.86	6.89	-34.09
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012085859	0	35	0.0	-45.00	315.70	5.16	-39.84
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012085860	0	46	0.0	-30.97	388.64	10.80	-20.17
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012085861	0	36	0.0	-49.02	331.71	7.27	-41.75
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Br)SC=C1	REAL300012085862	0	33	0.0	-40.80	307.99	6.21	-34.59
CCOC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C(F)C=C1OC	REAL300012085863	0	47	0.0	-45.82	385.38	6.73	-39.09
COC1=NC=C(Br)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085864	0	39	0.0	-39.92	347.34	3.94	-35.98
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012085865	0	42	0.0	-41.54	346.79	8.72	-32.82
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CN=C1Br	REAL300012085866	0	35	0.0	-44.57	308.00	5.18	-39.39
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C(F)C=C1Br	REAL300012085867	0	40	0.0	-29.18	351.35	6.87	-22.31
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012085868	0	36	0.0	-35.25	325.50	7.77	-27.48
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012085869	0	40	0.0	-28.48	347.96	6.86	-21.62
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085870	0	46	0.0	-41.80	372.42	7.46	-34.34
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085871	0	43	0.0	-43.29	358.03	6.85	-36.44
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012085872	0	50	0.0	-42.39	391.66	7.84	-34.55
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012085873	0	40	0.0	-37.48	341.76	6.47	-31.01
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085874	0	49	0.0	-41.16	380.66	7.69	-33.47
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085875	0	39	0.0	-31.90	320.80	7.77	-24.13
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C(F)C=C1C	REAL300012085876	0	43	0.0	-43.28	352.22	6.55	-36.73
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=C1Br	REAL300012085877	0	42	0.0	-32.73	344.71	8.48	-24.25
CC1=CC=NC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1Br	REAL300012085878	0	38	0.0	-41.08	331.90	5.80	-35.28
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085879	0	53	0.0	-45.01	422.34	6.80	-38.21
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012085880	0	46	0.0	-37.87	386.82	8.09	-29.78
CC(C)(C)C1=CSC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=N1	REAL300012085881	1	44	0.0	-38.18	364.52	6.24	-31.94
COCCC1=NC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085882	0	42	0.0	-43.22	362.12	4.33	-38.89
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012085883	1	37	0.0	-40.57	337.43	4.46	-36.11
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012085884	1	37	0.0	-41.12	322.53	3.91	-37.21
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085885	0	44	0.0	-42.24	361.67	6.12	-36.12
CCN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012085886	0	49	0.0	-34.92	393.57	8.73	-26.19
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012085887	0	44	0.0	-40.77	347.02	6.52	-34.25
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1C	REAL300012085888	0	52	0.0	-31.41	395.21	8.00	-23.41
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012085889	0	38	0.0	-34.94	323.39	7.38	-27.56
CC1=C(Br)C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085890	0	36	0.0	-30.69	328.22	7.33	-23.36
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012085891	0	46	0.0	-42.85	389.05	10.40	-32.45
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012085892	0	41	0.0	-33.93	327.64	6.97	-26.96
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1C	REAL300012085893	0	49	0.0	-32.65	388.56	8.60	-24.05
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012085894	0	40	0.0	-38.28	331.67	5.25	-33.03
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1CN1C=CC=N1	REAL300012085895	0	50	0.0	-37.73	407.85	7.81	-29.92
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085896	0	43	0.0	-33.56	350.98	7.12	-26.44
CC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085897	0	39	0.0	-27.15	335.74	7.96	-19.19
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012085898	0	41	0.0	-40.67	330.88	7.89	-32.78
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085899	0	44	0.0	-31.34	355.96	8.52	-22.82
COC1=CC=C(CN2C=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])N=N2)C=C1	REAL300012085900	0	49	0.0	-56.25	407.93	6.19	-50.06
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(F)=C1OC	REAL300012085901	0	44	0.0	-42.05	368.31	5.88	-36.17
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(F)=C1	REAL300012085902	0	42	0.0	-41.95	357.29	7.55	-34.40
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012085903	0	46	0.0	-42.34	384.75	6.85	-35.49
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012085904	0	50	0.0	-35.09	406.91	10.10	-24.99
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012085905	0	43	0.0	-39.56	358.64	7.45	-32.11
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012085906	0	35	0.0	-45.11	309.83	5.14	-39.97
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085907	0	52	0.0	-34.49	412.47	9.88	-24.61
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085908	0	43	0.0	-33.38	347.54	8.22	-25.16
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(CCF)N=C1	REAL300012085909	0	39	0.0	-44.48	331.19	5.36	-39.12
CCCC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085911	0	45	0.0	-31.14	360.02	9.05	-22.09
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012085912	0	42	0.0	-46.26	381.83	7.86	-38.40
COC1=CC=C(C2=NC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CS2)C=C1	REAL300012085913	0	46	0.0	-46.63	394.55	6.66	-39.97
CC1=C2C=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=NC2=NN1	REAL300012085915	0	41	0.0	-54.07	341.17	5.00	-49.07
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085916	0	44	0.0	-49.52	371.69	3.19	-46.33
CN1N=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C2=CC=CC=C21	REAL300012085917	0	42	0.0	-39.26	348.05	6.39	-32.87
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012085918	0	39	0.0	-33.83	322.53	5.45	-28.38
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012085918	1	39	0.0	-39.70	327.35	5.18	-34.52
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085919	0	36	0.0	-28.46	330.41	6.16	-22.30
CCC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085920	0	39	0.0	-42.69	333.86	7.24	-35.45
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012085921	0	41	0.0	-37.70	332.52	6.67	-31.03
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])N2C=CC=CC2=N1	REAL300012085922	0	42	0.0	-33.18	343.01	7.82	-25.36
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085923	0	56	0.0	-43.36	422.06	8.64	-34.72
CCC1=NC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085924	0	38	0.0	-42.36	328.45	5.26	-37.10
COC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])SC=C1	REAL300012085925	0	37	0.0	-33.33	317.11	5.27	-28.06
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012085926	0	42	0.0	-34.67	353.14	5.11	-29.56
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC=C1Cl	REAL300012085927	0	33	0.0	-37.16	302.75	5.88	-31.28
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085928	0	41	0.0	-39.40	351.31	6.04	-33.36
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085929	0	47	0.0	-38.44	393.28	7.34	-31.10
CCCC(C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-])C1=CC=CC=C1	REAL300012085930	0	48	0.0	-41.03	377.55	9.20	-31.83
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012085931	0	41	0.0	-34.62	350.72	7.80	-26.82
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012085932	0	36	0.0	-30.53	327.83	7.18	-23.35
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C(F)(F)F)=C1	REAL300012085933	0	47	0.0	-48.83	377.78	7.94	-40.89
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085934	0	46	0.0	-36.42	377.38	9.46	-26.96
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085935	0	45	0.0	-31.73	387.19	8.46	-23.27
CC(C)C1CCC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])CC1	REAL300012085936	0	51	0.0	-46.06	368.38	8.32	-37.74
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012085937	0	39	0.0	-46.28	360.18	7.89	-38.39
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012085938	0	39	0.0	-49.94	347.23	7.63	-42.31
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085939	0	47	0.0	-45.84	384.24	7.86	-37.98
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085940	0	50	0.0	-32.97	394.18	8.41	-24.56
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085941	0	46	0.0	-39.15	370.82	7.32	-31.83
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012085942	0	45	0.0	-34.49	369.85	8.52	-25.97
CN1N=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1Cl	REAL300012085943	0	36	0.0	-33.11	315.58	5.01	-28.10
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012085944	0	38	0.0	-50.29	320.75	3.95	-46.34
COC1=CC=C(N2C=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=N2)C=C1	REAL300012085945	0	47	0.0	-44.70	387.26	7.02	-37.68
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085946	0	51	0.0	-43.21	422.08	9.96	-33.25
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012085947	0	38	0.0	-49.54	339.68	4.53	-45.01
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012085948	0	43	0.0	-33.12	344.88	8.93	-24.19
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=NC=C1Br	REAL300012085949	0	35	0.0	-27.92	306.49	5.63	-22.29
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012085950	0	39	0.0	-37.74	350.04	3.56	-34.18
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012085951	0	42	0.0	-42.44	347.34	7.24	-35.20
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(F)=C1	REAL300012085952	0	41	0.0	-34.98	354.34	1.84	-33.14
CC(C)N1C=CN=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085954	0	42	0.0	-46.09	341.12	6.37	-39.72
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085955	0	38	0.0	-31.36	324.59	6.13	-25.23
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085956	0	39	0.0	-26.63	332.31	5.39	-21.24
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085957	0	43	0.0	-42.09	350.98	6.20	-35.89
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085958	0	46	0.0	-31.38	364.05	7.01	-24.37
CC1=C2C=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])NC2=CC=C1	REAL300012085959	0	43	0.0	-32.45	348.47	7.42	-25.03
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012085960	0	42	0.0	-30.99	346.89	5.97	-25.02
CC1=CC=C2C=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])NC2=C1	REAL300012085961	0	43	0.0	-42.57	353.52	7.15	-35.42
CCOC1=CN=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085962	0	42	0.0	-33.60	341.94	5.23	-28.37
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=NC=C1Cl	REAL300012085963	0	35	0.0	-29.03	304.22	5.57	-23.46
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012085964	0	47	0.0	-34.41	371.32	5.45	-28.96
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012085965	0	39	0.0	-46.22	326.39	5.25	-40.97
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085966	0	44	0.0	-48.93	338.45	6.89	-42.04
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012085967	0	40	0.0	-44.19	330.31	6.54	-37.65
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012085968	1	39	0.0	-49.26	330.72	3.96	-45.30
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012085969	0	38	0.0	-33.49	325.08	5.90	-27.59
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085970	0	45	0.0	-31.78	368.77	7.25	-24.53
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012085971	0	46	0.0	-55.19	374.72	3.99	-51.20
COC1=CN=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1C	REAL300012085972	0	42	0.0	-31.65	332.08	4.85	-26.80
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=C1	REAL300012085973	0	49	0.0	-44.00	390.29	9.68	-34.32
CC(C)(C)OC(=O)NC(C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-])CC(F)F	REAL300012085974	0	52	0.0	-43.39	409.19	5.35	-38.04
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012085975	0	46	0.0	-53.53	375.27	4.13	-49.40
CCCN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])N=N1	REAL300012085976	0	41	0.0	-51.80	339.98	4.65	-47.15
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085977	0	44	0.0	-29.32	353.72	6.94	-22.38
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012085978	0	40	0.0	-46.75	329.47	7.12	-39.63
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012085979	0	41	0.0	-44.95	345.52	6.91	-38.04
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1C	REAL300012085980	0	49	0.0	-43.24	385.02	9.49	-33.75
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012085981	0	41	0.0	-39.35	349.82	1.79	-37.56
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012085982	1	39	0.0	-44.53	328.98	3.85	-40.68
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012085983	0	45	0.0	-43.72	351.89	7.01	-36.71
CC1=NN(C)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1Cl	REAL300012085984	0	39	0.0	-43.28	339.36	5.20	-38.08
CN1C=CC(C2=NC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CS2)=N1	REAL300012085985	0	42	0.0	-53.38	368.56	4.98	-48.40
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2CCCC2)=N1	REAL300012085986	0	49	0.0	-42.85	388.58	7.45	-35.40
CC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1Br	REAL300012085987	0	39	0.0	-33.15	328.83	7.94	-25.21
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012085988	0	47	0.0	-44.59	393.23	9.39	-35.20
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012085989	0	44	0.0	-43.01	353.97	7.18	-35.83
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012085990	0	46	0.0	-46.45	371.13	6.37	-40.08
CCC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(Cl)=NN1	REAL300012085991	0	39	0.0	-28.19	335.06	5.01	-23.18
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012085992	0	40	0.0	-36.40	343.33	5.82	-30.58
CCC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=NO1	REAL300012085993	0	41	0.0	-33.26	330.92	6.41	-26.85
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C2CCCCC2=N1	REAL300012085994	0	48	0.0	-41.84	370.69	7.65	-34.19
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012085995	0	51	0.0	-38.99	387.90	8.29	-30.70
CCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])O1	REAL300012085996	1	40	0.0	-43.89	334.56	6.02	-37.87
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012085997	0	35	0.0	-49.19	324.59	4.62	-44.57
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CN=C1F	REAL300012085998	0	38	0.0	-43.46	319.74	5.26	-38.20
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012085999	0	38	0.0	-30.99	308.55	5.50	-25.49
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012086000	0	39	0.0	-43.28	337.31	7.43	-35.85
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1C	REAL300012086001	0	45	0.0	-35.74	366.48	8.03	-27.71
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=C1	REAL300012086002	0	43	0.0	-40.99	342.42	6.39	-34.60
CC1=C(Cl)C=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1Cl	REAL300012086003	0	39	0.0	-36.99	343.55	7.94	-29.05
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086004	0	37	0.0	-42.81	330.56	7.34	-35.47
CC1CC2=CC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CC=C2O1	REAL300012086005	0	44	0.0	-44.34	357.15	7.13	-37.21
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012086006	0	39	0.0	-43.00	330.69	4.01	-38.99
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012086007	0	41	0.0	-41.35	336.01	6.38	-34.97
CSCC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012086008	0	43	0.0	-33.42	363.08	8.76	-24.66
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012086009	0	46	0.0	-42.24	371.18	7.26	-34.98
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086010	0	44	0.0	-42.67	354.23	4.11	-38.56
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086011	0	43	0.0	-42.87	346.98	6.03	-36.84
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=NN1C1CCC1	REAL300012086012	0	43	0.0	-33.77	345.74	6.66	-27.11
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012086013	0	43	0.0	-31.46	343.79	6.62	-24.84
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086014	0	49	0.0	-42.16	402.44	8.11	-34.05
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086015	0	46	0.0	-44.24	382.55	7.43	-36.81
COC1=CC=C(C)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086016	0	43	0.0	-43.00	342.43	6.38	-36.62
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=C21	REAL300012086017	0	42	0.0	-43.47	338.66	7.80	-35.67
CCC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086018	0	42	0.0	-39.93	331.54	7.76	-32.17
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012086019	0	46	0.0	-46.45	369.65	6.37	-40.08
CC1=CC(F)=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086020	0	39	0.0	-44.96	328.08	7.29	-37.67
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=C1C	REAL300012086021	0	45	0.0	-30.58	343.16	8.50	-22.08
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012086022	0	46	0.0	-46.66	376.90	5.64	-41.02
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086023	0	48	0.0	-41.02	346.10	8.49	-32.53
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C2CCCCCN12	REAL300012086024	0	46	0.0	-40.55	356.28	6.95	-33.60
COC1=CC=C2SC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CC2=C1	REAL300012086025	0	43	0.0	-43.85	365.87	7.33	-36.52
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CON=C1C1CC1	REAL300012086026	0	39	0.0	-42.23	327.03	6.12	-36.11
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012086027	0	52	0.0	-46.44	411.27	8.29	-38.15
CCN1CCC2=CC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CC=C21	REAL300012086028	0	48	0.0	-32.80	376.28	7.49	-25.31
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012086029	0	49	0.0	-46.46	391.81	7.37	-39.09
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=NN1C(C)C	REAL300012086030	0	45	0.0	-31.19	358.75	6.69	-24.50
CSC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1Cl	REAL300012086031	0	40	0.0	-35.82	350.86	8.30	-27.52
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1C1CC1	REAL300012086032	0	46	0.0	-31.30	362.66	9.45	-21.85
CCOC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=N1	REAL300012086033	0	42	0.0	-31.48	344.58	4.47	-27.01
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1C1CC1	REAL300012086034	0	46	0.0	-41.41	364.54	9.10	-32.31
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C(C)=C2)C=C1	REAL300012086035	0	49	0.0	-38.14	390.76	9.17	-28.97
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012086036	0	42	0.0	-43.87	370.14	8.39	-35.48
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086037	0	46	0.0	-35.41	382.29	9.01	-26.40
CCC1=CC(Br)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012086038	0	39	0.0	-30.57	349.99	8.11	-22.46
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=C2)C=C1Cl	REAL300012086039	0	46	0.0	-37.50	392.56	9.12	-28.38
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])O2)N1	REAL300012086040	0	43	0.0	-49.30	366.70	5.27	-44.03
COCCOC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])O1	REAL300012086041	1	44	0.0	-46.17	369.50	5.30	-40.87
CC(C)(C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012086042	0	45	0.0	-31.31	364.99	9.15	-22.16
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086043	0	48	0.0	-40.88	383.71	6.87	-34.01
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NN(CCF)C=C1	REAL300012086044	0	39	0.0	-46.74	331.26	5.26	-41.48
CCN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=N1	REAL300012086045	0	42	0.0	-36.37	340.94	6.11	-30.26
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012086046	0	36	0.0	-42.10	336.97	7.63	-34.47
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=C1	REAL300012086047	0	52	0.0	-30.68	404.88	11.24	-19.44
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2CC2)=N1	REAL300012086048	0	43	0.0	-41.69	352.98	6.46	-35.23
COC1=CC=CC(C2=CSC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=N2)=C1	REAL300012086049	1	46	0.0	-40.76	392.84	6.61	-34.15
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086050	0	48	0.0	-44.50	393.68	5.92	-38.58
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012086051	0	53	0.0	-40.90	410.46	8.76	-32.14
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086052	0	43	0.0	-33.94	347.97	6.49	-27.45
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086053	0	46	0.0	-34.83	364.08	9.66	-25.17
CC(C)C1=NOC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086054	0	41	0.0	-35.36	335.18	6.16	-29.20
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012086055	0	40	0.0	-37.81	347.85	6.18	-31.63
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012086056	1	46	0.0	-44.95	371.22	2.96	-41.99
COC1=NC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1F	REAL300012086057	0	39	0.0	-39.92	331.63	3.26	-36.66
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012086058	0	36	0.0	-29.22	327.59	7.75	-21.47
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012086059	0	36	0.0	-47.56	328.97	7.17	-40.39
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN2C=CN=C2S1	REAL300012086060	0	36	0.0	-47.80	315.49	6.44	-41.36
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012086061	0	48	0.0	-30.21	380.90	8.43	-21.78
CC1=C(C)SC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=N1	REAL300012086062	1	38	0.0	-38.67	324.42	4.96	-33.71
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012086063	0	45	0.0	-53.80	378.42	6.89	-46.91
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])CC1	REAL300012086064	0	56	0.0	-53.97	423.98	7.58	-46.39
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086065	0	38	0.0	-44.41	332.82	5.90	-38.51
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012086066	0	42	0.0	-45.65	372.85	4.43	-41.22
CC1OC2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=C2C1C	REAL300012086067	0	47	0.0	-42.98	371.52	7.58	-35.40
CC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OC(F)F	REAL300012086068	0	43	0.0	-31.20	354.96	7.16	-24.04
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086069	0	48	0.0	-39.81	370.55	9.01	-30.80
CN1N=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1S(C)(=O)=O	REAL300012086070	0	42	0.0	-53.24	345.67	1.63	-51.61
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])NN=C1C(F)(F)F	REAL300012086071	0	39	0.0	-32.81	333.01	4.69	-28.12
CC(C)CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])N=N1	REAL300012086072	0	44	0.0	-51.57	355.67	5.29	-46.28
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012086073	1	39	0.0	-38.80	336.10	5.77	-33.03
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012086074	0	36	0.0	-35.21	318.02	4.21	-31.00
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012086075	0	41	0.0	-41.80	334.80	6.35	-35.45
CN1C=C(Cl)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=N1	REAL300012086076	0	36	0.0	-42.29	317.55	4.68	-37.61
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=CS1	REAL300012086077	0	39	0.0	-40.30	342.47	3.50	-36.80
CSC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086078	0	40	0.0	-41.31	340.48	7.57	-33.74
CC(C)C1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])N(C)N=C1	REAL300012086079	0	45	0.0	-41.75	362.41	6.04	-35.71
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC(C)=N1	REAL300012086080	0	41	0.0	-34.12	335.09	6.32	-27.80
CC1=C(Br)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C(C)S1	REAL300012086081	0	39	0.0	-25.77	341.80	7.70	-18.07
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012086082	0	46	0.0	-33.07	382.49	8.09	-24.98
CCCN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=N1	REAL300012086083	0	45	0.0	-36.05	362.44	6.87	-29.18
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012086084	0	38	0.0	-45.29	320.74	5.20	-40.09
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012086085	0	43	0.0	-41.82	363.31	8.72	-33.10
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012086086	0	44	0.0	-33.04	357.50	7.85	-25.19
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012086087	0	40	0.0	-34.93	347.18	6.64	-28.29
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012086088	0	42	0.0	-41.67	370.16	8.39	-33.28
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=C1	REAL300012086089	0	49	0.0	-34.66	387.89	9.77	-24.89
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=C2)C=N1	REAL300012086090	0	49	0.0	-37.54	394.69	10.49	-27.05
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086091	0	43	0.0	-45.54	356.74	4.82	-40.72
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012086092	0	50	0.0	-40.88	393.06	10.50	-30.38
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086094	0	46	0.0	-44.08	376.07	5.59	-38.49
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012086095	0	42	0.0	-44.35	354.96	7.76	-36.59
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012086096	0	43	0.0	-34.18	344.08	5.78	-28.40
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086097	0	46	0.0	-42.27	377.92	7.59	-34.68
CCCN1C=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=N1	REAL300012086098	0	42	0.0	-46.10	346.17	5.88	-40.22
CC(C)N1C=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=N1	REAL300012086099	0	42	0.0	-44.52	341.19	5.56	-38.96
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086100	0	47	0.0	-41.02	369.51	6.97	-34.05
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012086101	0	39	0.0	-51.64	342.55	5.62	-46.02
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012086102	0	46	0.0	-32.02	367.97	8.89	-23.13
CN1C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=NC2=C1CCCC2	REAL300012086103	0	46	0.0	-38.22	362.98	7.23	-30.99
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086104	0	39	0.0	-40.13	342.90	3.74	-36.39
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012086105	0	39	0.0	-41.68	327.47	5.45	-36.23
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012086106	0	39	0.0	-43.15	334.23	7.76	-35.39
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012086107	0	44	0.0	-41.69	345.66	6.51	-35.18
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086108	0	43	0.0	-41.79	366.99	7.35	-34.44
COC1=NN(C)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086109	0	40	0.0	-40.51	331.35	2.57	-37.94
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012086111	0	43	0.0	-38.65	360.91	6.40	-32.25
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012086112	1	43	0.0	-43.51	344.54	7.38	-36.13
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012086113	0	38	0.0	-45.92	334.89	7.29	-38.63
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012086114	0	49	0.0	-44.81	382.76	7.53	-37.28
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012086115	0	43	0.0	-34.08	369.50	8.31	-25.77
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012086116	0	36	0.0	-30.00	327.57	7.49	-22.51
CN(CCO)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=N1	REAL300012086117	0	47	0.0	-44.48	377.68	4.04	-40.44
COC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012086118	0	52	0.0	-32.20	390.43	8.62	-23.58
CN1C=C(Br)N=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086119	0	36	0.0	-48.32	320.33	5.34	-42.98
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=N1	REAL300012086120	0	42	0.0	-43.35	341.22	3.84	-39.51
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1O	REAL300012086121	0	44	0.0	-32.74	348.59	4.51	-28.23
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012086122	0	42	0.0	-29.41	352.41	5.94	-23.47
CN1C(=O)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC2=CC=CC=C21	REAL300012086123	0	45	0.0	-29.88	362.99	7.63	-22.25
COC1=NC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1C	REAL300012086124	0	42	0.0	-45.40	345.41	3.86	-41.54
CCCN1C=NC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086125	0	42	0.0	-40.25	338.54	7.46	-32.79
CC1=CC(C)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=C1Br	REAL300012086126	0	45	0.0	-32.09	363.13	8.93	-23.16
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012086127	0	43	0.0	-48.65	357.37	6.50	-42.15
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012086128	0	49	0.0	-42.25	391.38	10.07	-32.18
CCC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=NN1CC	REAL300012086129	0	45	0.0	-44.58	357.34	6.37	-38.21
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012086130	0	36	0.0	-30.97	323.77	7.42	-23.55
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086131	0	53	0.0	-46.88	422.07	6.80	-40.08
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012086132	0	40	0.0	-42.11	329.71	4.93	-37.18
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012086133	0	40	0.0	-36.93	339.33	6.37	-30.56
COC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=CS1	REAL300012086134	0	37	0.0	-40.61	321.81	4.97	-35.64
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012086135	0	39	0.0	-27.37	336.32	6.65	-20.72
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086136	0	42	0.0	-40.86	352.17	8.03	-32.83
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012086137	0	42	0.0	-42.63	361.04	7.25	-35.38
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=N1	REAL300012086138	0	43	0.0	-49.93	359.55	4.19	-45.74
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1Cl	REAL300012086139	0	45	0.0	-31.62	377.09	7.10	-24.52
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])S1	REAL300012086140	0	42	0.0	-47.51	366.94	5.88	-41.63
COC1=CC=C(Br)C(F)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086141	0	40	0.0	-30.24	351.03	6.86	-23.38
N#CC1=CC(F)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(Br)=C1	REAL300012086142	0	37	0.0	-41.70	339.95	7.32	-34.38
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012086143	0	36	0.0	-45.76	317.51	6.74	-39.02
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012086144	0	43	0.0	-32.73	361.21	9.26	-23.47
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086145	0	45	0.0	-43.04	360.94	5.34	-37.70
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012086146	0	42	0.0	-33.05	349.23	9.35	-23.70
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012086147	0	53	0.0	-39.76	407.61	9.31	-30.45
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012086148	0	47	0.0	-33.61	402.39	10.22	-23.39
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086149	0	43	0.0	-41.21	347.39	8.42	-32.79
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012086150	0	56	0.0	-39.34	426.27	9.89	-29.45
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=C2)=C1	REAL300012086151	0	51	0.0	-35.58	413.85	8.98	-26.60
CCN1CCCC2=CC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=CC=C21	REAL300012086152	0	51	0.0	-42.15	389.48	7.69	-34.46
COCC1=CN=C(OC)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086153	0	46	0.0	-43.39	380.15	3.10	-40.29
CN1N=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1Br	REAL300012086154	0	36	0.0	-32.24	319.68	5.08	-27.16
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012086155	0	51	0.0	-37.18	415.88	9.64	-27.54
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN=NN1C1CC1	REAL300012086156	0	39	0.0	-41.97	325.43	4.52	-37.45
COC1=C(Br)C=CC(F)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086157	0	40	0.0	-30.18	350.68	6.88	-23.30
COCC1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086158	0	43	0.0	-39.76	344.54	6.31	-33.45
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012086159	0	49	0.0	-30.52	405.32	11.54	-18.98
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012086160	0	40	0.0	-41.58	354.51	7.93	-33.65
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012086161	0	49	0.0	-35.89	390.17	7.54	-28.35
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012086162	0	44	0.0	-43.69	353.97	6.64	-37.05
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(CCO)N=C1	REAL300012086163	0	40	0.0	-47.06	334.70	1.82	-45.24
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012086164	0	42	0.0	-28.31	353.48	8.89	-19.42
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012086165	0	42	0.0	-37.40	351.58	5.04	-32.36
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1OC	REAL300012086166	0	44	0.0	-33.12	362.38	6.18	-26.94
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=N1	REAL300012086167	0	43	0.0	-38.81	350.77	5.07	-33.74
CC1=CC=C(F)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1Br	REAL300012086168	0	39	0.0	-31.85	338.57	7.95	-23.90
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012086169	0	59	0.0	-32.99	447.82	11.13	-21.86
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012086170	0	50	0.0	-40.38	397.71	8.83	-31.55
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086171	0	42	0.0	-49.89	340.82	8.08	-41.81
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC=C1OCCO	REAL300012086172	0	48	0.0	-38.77	387.61	3.87	-34.90
CCN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2CC2)=N1	REAL300012086173	0	46	0.0	-41.21	374.51	7.32	-33.89
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1OCCO	REAL300012086174	0	48	0.0	-38.27	387.61	3.87	-34.40
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012086175	0	46	0.0	-40.54	380.42	5.81	-34.73
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086176	0	44	0.0	-39.91	340.56	6.20	-33.71
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012086177	0	41	0.0	-44.76	339.11	6.95	-37.81
CC1=CC2=CC=CC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=C2O1	REAL300012086178	0	42	0.0	-39.92	348.17	7.66	-32.26
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012086179	0	39	0.0	-54.31	334.12	7.65	-46.66
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012086180	0	43	0.0	-35.14	370.54	7.60	-27.54
COC1=CSC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1OC	REAL300012086181	0	41	0.0	-34.68	349.72	4.92	-29.76
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CON=C1C1CCC1	REAL300012086182	0	42	0.0	-34.40	339.66	6.89	-27.51
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012086183	0	39	0.0	-41.24	342.88	5.67	-35.57
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])SC=C1	REAL300012086184	0	39	0.0	-43.93	336.51	3.56	-40.37
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086185	0	39	0.0	-54.13	341.93	2.06	-52.07
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012086186	0	39	0.0	-37.74	341.25	7.90	-29.84
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1F	REAL300012086187	0	46	0.0	-37.59	371.15	7.76	-29.83
CCN1C=C(Cl)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=N1	REAL300012086188	0	39	0.0	-41.40	341.24	5.61	-35.79
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012086189	0	36	0.0	-47.64	324.71	7.07	-40.57
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012086190	0	39	0.0	-42.06	333.13	7.44	-34.62
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012086191	0	42	0.0	-38.39	347.48	9.13	-29.26
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086192	0	39	0.0	-40.45	349.19	3.48	-36.97
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CSC(Cl)=C1	REAL300012086193	0	33	0.0	-33.82	304.00	6.43	-27.39
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=NN1C1CCC1	REAL300012086194	0	46	0.0	-31.20	364.43	7.35	-23.85
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012086195	0	43	0.0	-33.71	371.20	8.56	-25.15
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086196	0	49	0.0	-33.01	383.78	7.91	-25.10
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=NN1CC(F)F	REAL300012086197	0	39	0.0	-33.19	325.17	5.53	-27.66
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086198	0	46	0.0	-30.82	376.33	7.50	-23.32
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012086199	0	39	0.0	-52.71	340.49	7.99	-44.72
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012086200	0	35	0.0	-31.63	311.49	5.48	-26.15
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012086201	0	43	0.0	-34.29	360.88	8.11	-26.18
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086202	0	43	0.0	-27.84	349.46	4.92	-22.92
COC1=NC(C)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=C1Cl	REAL300012086203	0	45	0.0	-32.78	368.37	5.02	-27.76
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086204	0	45	0.0	-45.52	373.03	6.80	-38.72
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012086205	0	43	0.0	-45.52	348.49	6.23	-39.29
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012086206	0	39	0.0	-46.89	335.51	5.33	-41.56
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012086207	0	40	0.0	-49.38	346.18	5.99	-43.39
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086208	0	52	0.0	-34.88	401.23	8.51	-26.37
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012086209	0	47	0.0	-46.85	375.68	5.20	-41.65
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086210	0	50	0.0	-35.23	392.01	6.09	-29.14
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012086211	0	46	0.0	-44.03	363.87	6.82	-37.21
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086212	0	38	0.0	-47.14	346.08	0.55	-46.59
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012086213	0	35	0.0	-40.43	326.11	5.63	-34.80
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012086214	0	51	0.0	-41.67	403.09	6.38	-35.29
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086215	0	49	0.0	-34.84	382.25	7.90	-26.94
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012086216	0	39	0.0	-48.20	321.83	7.46	-40.74
CC1=CC(Br)=C(F)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086217	0	39	0.0	-45.06	344.63	7.79	-37.27
COC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1Br	REAL300012086218	0	40	0.0	-35.40	336.68	6.62	-28.78
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012086219	0	39	0.0	-46.55	326.52	5.26	-41.29
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012086220	0	36	0.0	-49.27	327.29	7.16	-42.11
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086221	0	39	0.0	-33.90	313.73	7.42	-26.48
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])=C2)C=N1	REAL300012086222	0	46	0.0	-38.03	375.76	8.12	-29.91
COC1=CC(F)=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1Br	REAL300012086223	0	40	0.0	-42.79	352.55	6.48	-36.31
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012086224	0	46	0.0	-52.01	386.83	8.96	-43.05
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086225	0	39	0.0	-42.30	334.24	7.71	-34.59
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086226	0	41	0.0	-40.78	347.81	6.29	-34.49
COC1=NC2=CC=C(C[NH2+]C(CC3=CC=CNC3=O)C(=O)[O-])C=C2S1	REAL300012086227	0	42	0.0	-46.29	364.67	4.37	-41.92
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=NC(Br)=C1	REAL300012086228	0	35	0.0	-31.94	311.98	5.56	-26.38
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012086229	0	36	0.0	-41.86	332.55	7.54	-34.32
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086230	0	38	0.0	-41.28	325.75	5.74	-35.54
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086231	0	52	0.0	-40.55	410.76	8.85	-31.70
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086232	0	40	0.0	-42.93	346.50	6.36	-36.57
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012086233	0	39	0.0	-38.77	349.62	7.83	-30.94
COC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CC(F)=C1F	REAL300012086234	0	40	0.0	-48.82	342.28	5.98	-42.84
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086235	0	42	0.0	-42.69	345.48	4.75	-37.94
CC(C)N1C=NC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086236	0	42	0.0	-47.48	343.76	7.11	-40.37
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086237	0	43	0.0	-40.49	357.44	4.49	-36.00
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2CC2)=NO1	REAL300012086238	0	42	0.0	-43.09	347.37	6.88	-36.21
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1C	REAL300012086239	0	46	0.0	-44.18	380.82	6.22	-37.96
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])O1	REAL300012086240	1	43	0.0	-43.15	354.02	6.70	-36.45
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086241	0	42	0.0	-30.41	348.13	8.45	-21.96
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012086242	0	37	0.0	-28.39	329.12	4.55	-23.84
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012086243	0	39	0.0	-42.02	340.33	5.62	-36.40
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086244	0	37	0.0	-46.72	326.21	6.96	-39.76
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012086245	0	52	0.0	-30.96	397.51	10.63	-20.33
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086246	0	44	0.0	-44.85	359.68	7.20	-37.65
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])SC(Br)=C1	REAL300012086247	0	36	0.0	-28.42	326.21	7.26	-21.16
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086248	0	46	0.0	-40.97	365.85	6.85	-34.12
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=NN1CC(F)F	REAL300012086249	0	42	0.0	-32.52	349.30	6.21	-26.31
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012086250	0	44	0.0	-46.29	369.45	6.89	-39.40
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086251	0	45	0.0	-26.92	377.08	7.06	-19.86
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086252	0	48	0.0	-47.22	398.40	8.64	-38.58
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086253	0	43	0.0	-42.94	363.57	5.81	-37.13
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012086254	0	49	0.0	-32.83	398.44	11.29	-21.54
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012086255	0	52	0.0	-46.40	418.60	7.76	-38.64
COC1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=N1	REAL300012086256	0	42	0.0	-41.51	341.05	3.80	-37.71
CCN(C)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C)=C1	REAL300012086257	0	50	0.0	-40.52	386.23	8.44	-32.08
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012086258	0	35	0.0	-28.07	324.25	6.06	-22.01
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012086259	0	33	0.0	-32.63	317.09	6.86	-25.77
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086260	0	57	0.0	-32.88	422.52	8.82	-24.06
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086261	0	47	0.0	-33.16	374.69	6.25	-26.91
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(CF)C=C1	REAL300012086262	0	39	0.0	-32.97	323.62	7.65	-25.32
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012086263	0	40	0.0	-33.89	357.66	7.18	-26.71
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012086264	0	46	0.0	-35.12	385.55	9.69	-25.43
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012086265	0	39	0.0	-43.48	337.19	7.92	-35.56
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012086266	0	45	0.0	-35.73	366.39	8.53	-27.20
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1CO	REAL300012086267	0	40	0.0	-41.26	322.29	3.91	-37.35
CC1=NSC(C)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086268	0	38	0.0	-42.33	322.82	5.39	-36.94
CC(C)(C)C1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=NO1	REAL300012086269	0	44	0.0	-42.36	341.45	6.48	-35.88
CC1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1C(F)(F)F	REAL300012086270	0	42	0.0	-49.56	343.85	8.13	-41.43
C=CCN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=N1	REAL300012086271	0	40	0.0	-46.50	335.26	5.69	-40.81
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012086272	0	39	0.0	-41.25	323.21	5.58	-35.67
CCC(C)C1=CC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=C1	REAL300012086273	0	48	0.0	-31.90	375.63	9.47	-22.43
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012086274	0	38	0.0	-45.17	344.21	5.86	-39.31
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012086275	0	41	0.0	-38.06	360.69	7.20	-30.86
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012086276	0	43	0.0	-28.70	356.57	5.48	-23.22
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086277	0	49	0.0	-47.74	399.73	9.07	-38.67
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=N1	REAL300012086278	0	41	0.0	-47.17	349.37	6.49	-40.68
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012086279	0	36	0.0	-44.01	330.25	7.20	-36.81
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012086280	0	46	0.0	-41.01	355.61	8.92	-32.09
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012086281	0	38	0.0	-45.11	349.78	7.84	-37.27
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086282	0	43	0.0	-46.31	360.76	8.45	-37.86
COC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=CC(Br)=C1F	REAL300012086283	0	40	0.0	-38.07	354.43	6.54	-31.53
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012086284	0	39	0.0	-41.94	340.44	7.89	-34.05
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012086285	0	42	0.0	-43.39	349.34	6.78	-36.61
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012086286	0	45	0.0	-31.86	350.44	9.51	-22.35
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086287	0	54	0.0	-33.71	418.84	8.42	-25.29
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086288	0	44	0.0	-39.96	361.14	5.97	-33.99
CC1=NC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C(C)S1	REAL300012086289	0	38	0.0	-37.55	323.94	4.90	-32.65
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012086290	0	49	0.0	-32.83	383.24	3.84	-28.99
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086291	0	48	0.0	-35.47	385.21	5.50	-29.97
CCCN1N=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1C	REAL300012086292	0	45	0.0	-30.52	357.66	6.69	-23.83
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012086293	0	53	0.0	-42.06	406.68	9.05	-33.01
O=C([O-])C(CC1=CC=CNC1=O)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012086294	0	50	0.0	-37.72	411.68	10.00	-27.72
CC1=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012086295	0	44	0.0	-30.41	349.30	7.84	-22.57
CC1=CC(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012086296	0	45	0.0	-45.83	369.67	7.81	-38.02
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1	REAL300012086297	0	43	0.0	-42.90	359.38	6.58	-36.32
COC1=CC=C(Br)C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])=C1O	REAL300012086298	0	41	0.0	-32.50	352.44	4.50	-28.00
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CC=CNC1=O)C(=O)[O-]	REAL300012086299	0	45	0.0	-32.63	354.03	6.53	-26.10
CN1C=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])C(C2CCC2)=N1	REAL300012086300	0	46	0.0	-35.64	367.39	7.29	-28.35
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CNC2=O)C(=O)[O-])O1	REAL300012086301	1	44	0.0	-43.98	359.46	4.04	-39.94
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=C1	REAL300012086302	0	41	0.0	-27.03	344.04	9.54	-17.49
CC1=CC=C(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086303	0	41	0.0	-27.55	345.38	9.57	-17.98
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012086304	0	40	0.0	-28.35	346.94	9.40	-18.95
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1CC2C=CC1C2	REAL300012086305	0	40	0.0	-25.28	323.22	9.55	-15.73
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086306	0	47	0.0	-28.57	385.31	10.61	-17.96
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012086307	0	42	0.0	-24.80	361.61	8.90	-15.90
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Br)O1	REAL300012086308	0	32	0.0	-23.51	308.25	7.92	-15.59
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086309	0	45	0.0	-30.42	386.21	9.95	-20.47
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1OC(F)F	REAL300012086310	0	43	0.0	-33.39	376.31	7.73	-25.66
CCOC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1OC	REAL300012086311	0	46	0.0	-31.46	388.41	8.37	-23.09
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012086312	0	49	0.0	-27.47	416.94	11.50	-15.97
CCCCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086313	0	51	0.0	-29.19	423.65	10.84	-18.35
CC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1C	REAL300012086314	0	41	0.0	-26.69	339.48	9.39	-17.30
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1C	REAL300012086315	0	41	0.0	-28.81	347.54	9.49	-19.32
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1Br	REAL300012086316	0	39	0.0	-30.40	359.05	8.25	-22.15
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086317	0	45	0.0	-26.46	377.07	9.20	-17.26
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OC	REAL300012086318	0	52	0.0	-31.70	432.73	9.99	-21.71
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OC	REAL300012086319	0	49	0.0	-31.76	411.23	9.21	-22.55
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OC	REAL300012086320	0	47	0.0	-32.09	402.63	8.99	-23.10
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012086321	0	42	0.0	-24.16	381.46	11.42	-12.74
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012086322	0	42	0.0	-34.41	386.21	10.74	-23.67
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012086323	0	45	0.0	-31.01	388.74	10.67	-20.34
CCC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012086324	0	44	0.0	-25.75	363.02	10.82	-14.93
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012086325	0	41	0.0	-33.02	380.38	9.15	-23.87
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012086326	0	39	0.0	-26.58	353.72	8.15	-18.43
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012086327	0	39	0.0	-30.87	364.19	9.71	-21.16
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012086328	0	42	0.0	-27.60	367.80	5.95	-21.65
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(Cl)=C1	REAL300012086329	0	39	0.0	-26.52	351.31	8.02	-18.50
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012086330	0	39	0.0	-31.21	355.11	8.09	-23.12
N#CC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086331	0	36	0.0	-32.78	326.68	9.43	-23.35
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012086332	0	42	0.0	-37.86	368.37	8.29	-29.57
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086333	0	45	0.0	-31.10	386.29	8.78	-22.32
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012086334	0	39	0.0	-27.97	340.95	7.88	-20.09
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086335	0	46	0.0	-31.53	394.30	7.39	-24.14
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012086336	0	38	0.0	-24.84	339.87	10.34	-14.50
CCOC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012086337	0	54	0.0	-27.40	443.93	8.80	-18.60
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012086338	0	41	0.0	-30.80	355.16	8.78	-22.02
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])O2)C=C1	REAL300012086339	0	45	0.0	-23.92	386.13	11.58	-12.34
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])O1	REAL300012086340	0	42	0.0	-33.70	372.33	7.24	-26.46
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012086341	0	41	0.0	-28.74	358.21	6.31	-22.43
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012086342	0	50	0.0	-29.52	414.14	9.65	-19.87
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Cl)S1	REAL300012086343	0	32	0.0	-23.87	313.09	8.77	-15.10
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012086344	0	42	0.0	-30.94	381.23	11.06	-19.88
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012086345	0	40	0.0	-27.30	348.97	8.81	-18.49
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012086346	0	48	0.0	-27.86	404.99	9.60	-18.26
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086347	0	44	0.0	-23.87	375.41	8.00	-15.87
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012086348	0	42	0.0	-32.68	366.15	9.45	-23.23
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012086349	0	41	0.0	-34.47	361.08	10.77	-23.70
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012086350	0	42	0.0	-25.70	383.02	12.00	-13.70
CCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])O1	REAL300012086351	0	38	0.0	-23.29	328.64	8.75	-14.54
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012086352	0	35	0.0	-28.22	321.10	8.38	-19.84
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012086353	0	38	0.0	-27.38	355.35	9.62	-17.76
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012086354	0	35	0.0	-26.30	328.24	8.80	-17.50
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012086355	0	35	0.0	-30.86	331.72	8.85	-22.01
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012086356	0	38	0.0	-32.16	353.45	9.34	-22.82
CCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086357	0	42	0.0	-28.07	357.18	9.27	-18.80
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1F	REAL300012086358	0	38	0.0	-31.49	334.53	8.96	-22.53
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012086359	0	35	0.0	-26.51	338.55	9.24	-17.27
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012086360	0	38	0.0	-35.75	344.11	9.43	-26.32
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012086361	0	35	0.0	-29.84	324.83	9.23	-20.61
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012086362	0	38	0.0	-31.22	354.25	9.35	-21.87
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012086363	0	38	0.0	-29.93	350.23	9.25	-20.68
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(Cl)=C1OC	REAL300012086364	0	43	0.0	-27.51	381.57	7.99	-19.52
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012086365	0	38	0.0	-30.14	344.36	9.75	-20.39
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012086366	0	35	0.0	-30.90	331.72	8.86	-22.04
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012086367	0	39	0.0	-28.25	361.60	8.36	-19.89
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CN=C1Cl	REAL300012086368	0	34	0.0	-32.21	314.97	6.90	-25.31
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012086369	0	48	0.0	-29.80	410.65	10.52	-19.28
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086370	0	44	0.0	-28.39	370.22	8.68	-19.71
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086371	0	44	0.0	-28.17	389.23	8.23	-19.94
COCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086372	0	46	0.0	-29.82	389.49	8.50	-21.32
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1Cl	REAL300012086373	0	39	0.0	-30.57	354.66	8.14	-22.43
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012086374	0	40	0.0	-25.19	364.76	7.93	-17.26
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086375	0	47	0.0	-26.70	390.29	9.87	-16.83
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012086376	0	42	0.0	-30.81	376.75	9.74	-21.07
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012086377	0	41	0.0	-27.12	349.90	7.42	-19.70
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012086378	0	44	0.0	-28.43	366.79	8.23	-20.20
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086379	0	47	0.0	-29.74	380.37	10.77	-18.97
CCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086380	0	45	0.0	-27.13	377.36	10.03	-17.10
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012086381	0	42	0.0	-25.43	371.87	11.63	-13.80
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012086382	0	49	0.0	-27.21	398.59	11.20	-16.01
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086383	0	45	0.0	-27.26	373.79	9.85	-17.41
CC1=CC=C(C2=NC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CS2)C=C1	REAL300012086384	0	44	0.0	-32.67	395.38	9.76	-22.91
CC(C)C1=NC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CS1	REAL300012086385	0	40	0.0	-21.86	352.28	8.04	-13.82
CC(C)(C)C1=NC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CS1	REAL300012086386	0	43	0.0	-30.88	374.52	7.80	-23.08
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012086387	0	38	0.0	-32.33	365.01	8.02	-24.31
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012086388	0	42	0.0	-33.46	383.39	11.14	-22.32
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086389	0	49	0.0	-32.93	416.21	9.17	-23.76
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012086390	0	49	0.0	-26.22	402.84	10.56	-15.66
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])S2)C=C1	REAL300012086391	0	45	0.0	-24.67	395.07	12.50	-12.17
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086392	0	39	0.0	-26.42	371.37	8.72	-17.70
CCOC1=C(OC)C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OC	REAL300012086393	0	50	0.0	-29.85	419.58	9.10	-20.75
COCCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086394	0	49	0.0	-29.27	411.03	9.10	-20.17
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CN=C1Cl	REAL300012086395	0	37	0.0	-29.03	334.99	8.24	-20.79
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086396	0	43	0.0	-29.04	374.34	7.12	-21.92
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012086397	0	39	0.0	-26.43	359.76	8.29	-18.14
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012086398	0	48	0.0	-28.80	407.66	10.71	-18.09
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])S2)C=C1	REAL300012086399	0	44	0.0	-29.81	393.40	9.91	-19.90
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012086400	0	40	0.0	-27.28	362.30	10.09	-17.19
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012086401	0	40	0.0	-26.38	352.46	8.77	-17.61
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012086402	0	40	0.0	-26.73	350.67	9.61	-17.12
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012086403	0	40	0.0	-26.98	363.46	9.23	-17.75
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012086404	0	42	0.0	-26.01	379.22	11.07	-14.94
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])O1	REAL300012086405	0	45	0.0	-24.93	393.02	11.68	-13.25
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])O2)C=C1	REAL300012086406	0	48	0.0	-23.76	407.63	12.33	-11.43
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(OC(F)F)=C1	REAL300012086407	0	43	0.0	-30.10	376.50	7.22	-22.88
COC1=CC=C2OC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CC2=C1	REAL300012086408	0	42	0.0	-26.56	363.17	8.85	-17.71
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012086409	0	39	0.0	-31.73	355.56	10.07	-21.66
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012086410	0	41	0.0	-30.31	356.08	9.38	-20.93
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012086411	0	38	0.0	-28.19	334.89	8.58	-19.61
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012086412	0	43	0.0	-25.66	372.59	10.81	-14.85
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1Br	REAL300012086413	0	38	0.0	-30.99	348.62	9.48	-21.51
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N=C1	REAL300012086414	0	37	0.0	-22.54	320.90	7.83	-14.71
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012086415	0	39	0.0	-32.85	350.76	9.65	-23.20
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1Br	REAL300012086416	0	38	0.0	-25.30	344.00	10.19	-15.11
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012086417	0	42	0.0	-24.60	363.37	10.14	-14.46
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(Cl)SC=C1	REAL300012086418	0	32	0.0	-22.05	310.04	8.58	-13.47
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012086419	0	40	0.0	-27.73	361.62	8.64	-19.09
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012086420	0	39	0.0	-32.84	345.36	8.23	-24.61
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012086421	0	39	0.0	-31.75	347.43	8.30	-23.45
CCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012086422	0	41	0.0	-32.53	356.83	5.84	-26.69
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012086423	0	43	0.0	-27.35	365.75	10.20	-17.15
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1Cl	REAL300012086424	0	38	0.0	-25.41	339.97	10.10	-15.31
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012086425	0	37	0.0	-31.82	340.99	7.77	-24.05
CCCC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086426	0	44	0.0	-28.38	373.52	10.50	-17.88
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1F	REAL300012086427	0	49	0.0	-29.57	408.27	9.42	-20.15
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C(SC)C=C1OC	REAL300012086428	0	47	0.0	-28.81	403.48	8.42	-20.39
COC1=CC=C2N=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])SC2=C1	REAL300012086429	0	41	0.0	-28.24	367.48	7.86	-20.38
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086430	0	41	0.0	-23.32	369.63	9.92	-13.40
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1C#N	REAL300012086431	0	40	0.0	-34.84	357.52	7.96	-26.88
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012086432	0	39	0.0	-26.68	355.65	10.31	-16.37
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086433	0	41	0.0	-26.93	358.81	9.85	-17.08
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012086434	0	39	0.0	-32.48	353.29	7.90	-24.58
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N=C1	REAL300012086435	0	41	0.0	-23.89	352.23	7.41	-16.48
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086436	0	41	0.0	-29.46	362.69	9.90	-19.56
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012086437	0	43	0.0	-32.26	385.68	8.05	-24.21
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OCC(C)C	REAL300012086438	0	52	0.0	-31.50	431.33	9.89	-21.61
CCCOC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1OC	REAL300012086439	0	49	0.0	-31.68	411.23	9.21	-22.47
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Br)S1	REAL300012086440	0	32	0.0	-23.11	316.40	8.83	-14.28
CCOC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012086441	0	46	0.0	-31.05	409.68	9.05	-22.00
C=CCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086442	0	43	0.0	-27.57	368.76	9.82	-17.75
COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1OC(C)C	REAL300012086443	0	49	0.0	-25.58	403.70	9.05	-16.53
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OC	REAL300012086444	0	46	0.0	-32.72	407.54	9.00	-23.72
CCCOC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=CC=C1OCC	REAL300012086445	0	52	0.0	-26.31	433.11	10.21	-16.10
CCCCOC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1OC	REAL300012086446	0	52	0.0	-32.43	432.72	9.99	-22.44
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OC(F)F	REAL300012086447	0	43	0.0	-35.41	377.64	7.78	-27.63
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012086448	0	45	0.0	-27.37	383.05	10.06	-17.31
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-])OC(C)C2	REAL300012086449	0	50	0.0	-29.23	416.13	9.17	-20.06
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC2=C1OCCO2	REAL300012086450	0	45	0.0	-28.92	379.53	8.07	-20.85
CCCCN1N=C(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1Cl	REAL300012086451	0	47	0.0	-26.35	410.76	9.30	-17.05
CC1=CC(C)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1C	REAL300012086452	0	44	0.0	-27.53	362.38	10.10	-17.43
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012086453	0	42	0.0	-31.04	376.98	11.07	-19.97
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012086454	0	42	0.0	-39.18	384.08	10.36	-28.82
CC(C)(C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-])C1=CC=CC=C1	REAL300012086455	0	44	0.0	-30.79	357.18	10.00	-20.79
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012086456	0	51	0.0	-28.09	411.84	10.58	-17.51
CC1CCC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])CC1	REAL300012086457	0	44	0.0	-29.92	342.60	8.98	-20.94
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086458	0	47	0.0	-31.51	386.83	11.13	-20.38
CCC1CCCC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C1	REAL300012086459	0	47	0.0	-25.08	365.90	10.63	-14.45
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-])=N2	REAL300012086460	0	47	0.0	-26.52	388.79	9.66	-16.86
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086461	0	41	0.0	-26.75	355.58	9.86	-16.89
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CC2=C1	REAL300012086462	0	44	0.0	-24.19	370.68	10.73	-13.46
CCCC1CCC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])CC1	REAL300012086463	0	50	0.0	-30.41	390.69	10.64	-19.77
CC1CCCCC1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086464	0	44	0.0	-28.55	338.38	8.78	-19.77
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012086465	0	42	0.0	-37.25	378.67	8.74	-28.51
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012086466	0	42	0.0	-35.08	365.07	10.67	-24.41
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012086467	0	42	0.0	-35.57	376.46	10.26	-25.31
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012086468	0	41	0.0	-28.23	366.29	8.74	-19.49
CCCCC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012086469	0	50	0.0	-23.52	416.87	12.41	-11.11
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012086470	0	44	0.0	-33.72	388.01	8.77	-24.95
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086471	0	42	0.0	-25.98	356.52	8.23	-17.75
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1F	REAL300012086472	0	39	0.0	-31.73	344.86	7.67	-24.06
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012086473	0	44	0.0	-35.40	356.20	9.16	-26.24
CC(C)C1CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])CCO1	REAL300012086474	0	48	0.0	-26.18	376.94	9.08	-17.10
CC1(C)CCC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])CC1	REAL300012086475	0	47	0.0	-25.86	360.81	10.27	-15.59
CCSC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086476	0	42	0.0	-28.04	367.51	10.90	-17.14
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012086477	1	36	0.0	-32.47	340.30	6.02	-26.45
COC1(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])CCCCC1	REAL300012086478	0	45	0.0	-23.11	344.93	8.29	-14.82
CCN1N=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C2=CC=CC=C21	REAL300012086479	0	44	0.0	-23.83	376.26	9.79	-14.04
COCCC1(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])CCCCC1	REAL300012086480	0	51	0.0	-27.17	385.61	8.44	-18.73
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086481	0	45	0.0	-26.00	377.36	10.03	-15.97
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012086482	0	38	0.0	-24.25	332.36	9.54	-14.71
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012086483	0	42	0.0	-24.66	366.06	10.94	-13.72
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1OC(C)C	REAL300012086484	0	49	0.0	-31.36	406.35	8.98	-22.38
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OCC	REAL300012086485	0	52	0.0	-31.09	431.76	10.09	-21.00
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012086486	0	40	0.0	-32.14	351.19	9.41	-22.73
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086487	0	45	0.0	-29.30	377.07	9.10	-20.20
CC(C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012086488	0	56	0.0	-30.19	442.04	12.65	-17.54
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1F	REAL300012086489	0	38	0.0	-26.75	332.55	9.75	-17.00
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012086490	0	39	0.0	-23.81	335.26	9.02	-14.79
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(Br)C=CS1	REAL300012086491	0	32	0.0	-26.04	318.80	7.93	-18.11
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012086492	0	48	0.0	-25.35	389.11	8.56	-16.79
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012086493	0	35	0.0	-25.53	329.66	8.82	-16.71
CC(C)CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086494	0	47	0.0	-24.95	387.02	11.73	-13.22
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=C2)C=C1	REAL300012086495	0	48	0.0	-25.93	401.44	13.13	-12.80
COC1=CC=C(Br)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086496	0	39	0.0	-27.40	351.06	8.11	-19.29
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012086497	0	41	0.0	-42.66	364.65	9.03	-33.63
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012086498	0	35	0.0	-25.15	337.97	10.01	-15.14
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012086499	0	35	0.0	-29.95	330.94	8.83	-21.12
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086500	0	41	0.0	-22.44	333.72	9.96	-12.48
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(Br)=CO1	REAL300012086501	0	32	0.0	-24.63	306.96	7.77	-16.86
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086502	0	48	0.0	-24.35	400.54	13.08	-11.27
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012086503	0	39	0.0	-28.34	343.76	8.58	-19.76
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OCC	REAL300012086504	0	49	0.0	-31.79	411.59	9.33	-22.46
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012086505	0	35	0.0	-26.07	329.28	8.75	-17.32
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012086506	0	38	0.0	-31.39	361.02	9.70	-21.69
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012086507	0	35	0.0	-25.83	331.82	8.90	-16.93
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012086508	0	39	0.0	-27.45	350.50	8.80	-18.65
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012086509	0	35	0.0	-27.69	331.42	8.82	-18.87
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086510	0	49	0.0	-27.19	414.04	12.11	-15.08
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012086511	0	35	0.0	-26.17	317.33	9.14	-17.03
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012086512	0	35	0.0	-27.60	330.87	8.81	-18.79
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C2=CC=CC=C12	REAL300012086513	0	45	0.0	-25.70	369.75	10.38	-15.32
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012086514	0	42	0.0	-29.76	366.51	8.22	-21.54
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012086514	1	42	0.0	-27.58	367.64	8.21	-19.37
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012086515	0	35	0.0	-27.75	319.66	8.34	-19.41
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086516	0	41	0.0	-32.09	350.92	9.35	-22.74
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=N1	REAL300012086517	0	38	0.0	-32.45	336.17	4.98	-27.47
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012086518	0	40	0.0	-31.32	345.01	8.13	-23.19
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CSC(Br)=C1	REAL300012086519	0	32	0.0	-28.14	319.46	7.92	-20.22
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012086520	0	45	0.0	-27.48	380.04	12.45	-15.03
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012086521	0	48	0.0	-30.04	405.66	9.55	-20.49
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012086522	0	46	0.0	-26.16	379.74	8.95	-17.21
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012086523	0	39	0.0	-26.56	336.85	9.06	-17.50
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086524	0	38	0.0	-28.88	330.35	8.97	-19.91
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012086525	0	35	0.0	-30.23	334.81	8.92	-21.31
CC1=NC(C)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086526	0	37	0.0	-28.44	332.83	6.67	-21.77
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012086527	0	44	0.0	-30.94	376.16	10.89	-20.05
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012086528	0	44	0.0	-30.47	375.05	10.69	-19.78
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012086529	0	44	0.0	-29.51	375.24	10.70	-18.81
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086530	0	50	0.0	-30.84	403.11	8.84	-22.00
CN1CCN(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])C=C2)CC1	REAL300012086531	1	52	0.0	-29.91	418.33	7.00	-22.91
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012086532	0	44	0.0	-33.37	390.45	6.78	-26.59
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086533	0	42	0.0	-34.73	364.27	6.53	-28.20
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012086534	0	42	0.0	-31.31	371.06	10.33	-20.98
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012086535	0	42	0.0	-30.73	381.38	10.78	-19.95
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012086536	0	42	0.0	-29.91	376.75	9.74	-20.17
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012086537	0	41	0.0	-26.49	351.93	11.29	-15.20
COC1=C2OC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CC2=CC=C1	REAL300012086538	0	42	0.0	-25.66	361.86	8.83	-16.83
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012086539	0	46	0.0	-38.31	392.85	10.75	-27.56
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086540	0	51	0.0	-28.98	422.51	11.44	-17.54
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012086541	0	35	0.0	-27.61	335.99	8.93	-18.68
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012086542	0	35	0.0	-27.00	336.00	8.94	-18.06
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC(OC)=C1	REAL300012086543	0	43	0.0	-26.53	363.50	7.61	-18.92
COC1=CC2=CC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])C=C2C=C1	REAL300012086544	0	45	0.0	-32.46	384.59	9.83	-22.63
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(Br)=CS1	REAL300012086546	0	32	0.0	-28.69	320.82	8.02	-20.67
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086547	0	48	0.0	-30.79	405.20	10.36	-20.43
COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1OC(F)F	REAL300012086548	0	43	0.0	-28.78	374.65	7.81	-20.97
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012086549	0	39	0.0	-25.56	366.34	9.62	-15.94
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012086550	0	41	0.0	-24.28	354.86	8.05	-16.23
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012086552	0	35	0.0	-30.69	336.14	8.95	-21.74
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012086553	0	50	0.0	-29.21	402.05	9.58	-19.63
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086554	0	54	0.0	-27.78	443.18	12.41	-15.37
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1SC	REAL300012086555	0	43	0.0	-31.66	378.04	8.64	-23.02
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086556	0	46	0.0	-35.53	399.53	10.59	-24.94
CCC(C)OC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1OC	REAL300012086557	0	52	0.0	-31.11	426.25	9.74	-21.37
C=C(C)COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1OC	REAL300012086558	0	50	0.0	-31.72	420.69	9.72	-22.00
C=CCC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC(OC)=C1O	REAL300012086559	0	47	0.0	-30.63	401.84	7.36	-23.27
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012086560	0	42	0.0	-31.75	366.38	8.14	-23.61
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086561	0	44	0.0	-34.10	387.33	9.24	-24.86
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012086562	0	41	0.0	-25.98	358.73	8.87	-17.11
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012086563	0	41	0.0	-29.62	367.65	9.77	-19.85
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012086564	0	48	0.0	-30.89	401.86	7.38	-23.51
CN1C=NC2=CC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CC=C21	REAL300012086565	0	41	0.0	-33.12	352.89	10.35	-22.77
CCN1N=C(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1C	REAL300012086566	0	44	0.0	-28.55	369.53	8.69	-19.86
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1Cl	REAL300012086567	0	43	0.0	-30.46	389.42	9.65	-20.81
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012086568	0	41	0.0	-30.90	374.16	9.31	-21.59
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012086569	0	47	0.0	-27.03	395.57	8.16	-18.87
CC1(C)CC2=CC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CC=C2O1	REAL300012086570	0	46	0.0	-27.04	381.92	10.25	-16.79
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012086571	0	41	0.0	-34.43	364.47	6.68	-27.75
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012086572	0	38	0.0	-22.71	360.98	8.83	-13.88
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086573	0	45	0.0	-24.56	383.33	9.55	-15.01
CC1=CC=C(F)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086574	0	38	0.0	-30.75	335.05	9.01	-21.74
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086575	0	38	0.0	-29.77	329.03	8.94	-20.83
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012086576	0	38	0.0	-30.10	363.26	9.74	-20.36
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(Br)=C1	REAL300012086577	0	38	0.0	-25.10	340.89	10.22	-14.88
CC1=NC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086578	0	37	0.0	-25.76	310.76	7.69	-18.07
CC(C)COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086579	0	48	0.0	-25.84	397.46	10.73	-15.11
COCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086580	0	46	0.0	-28.67	389.49	8.50	-20.17
CC1(C)CCCC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C1	REAL300012086581	0	47	0.0	-29.72	364.11	9.50	-20.22
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012086582	0	39	0.0	-31.57	363.09	8.37	-23.20
CC1=CCCC(C)C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086583	0	45	0.0	-21.83	348.53	10.34	-11.49
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-])OCO2	REAL300012086584	0	42	0.0	-29.30	361.13	6.22	-23.08
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012086585	0	40	0.0	-25.48	339.22	9.34	-16.14
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086586	0	48	0.0	-27.65	398.79	10.77	-16.88
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086587	0	38	0.0	-27.81	339.36	9.38	-18.43
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012086588	0	39	0.0	-33.03	346.57	9.65	-23.38
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012086589	0	34	0.0	-33.60	320.83	6.93	-26.67
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012086590	0	34	0.0	-26.27	320.65	7.83	-18.44
CN1N=NC2=CC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CC=C21	REAL300012086591	0	40	0.0	-34.01	351.79	6.70	-27.31
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1CCCCCC1	REAL300012086592	0	44	0.0	-29.43	339.16	8.99	-20.44
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=C2O1	REAL300012086593	0	46	0.0	-26.96	386.44	9.50	-17.46
COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012086594	0	38	0.0	-33.16	336.30	4.95	-28.21
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012086595	0	45	0.0	-30.96	387.76	9.40	-21.56
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012086596	0	42	0.0	-33.38	362.85	10.20	-23.18
CC(C)N1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=N1	REAL300012086597	0	41	0.0	-28.64	347.53	8.20	-20.44
CC1=C(Br)SC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086598	0	35	0.0	-29.49	338.47	8.65	-20.84
CC1=NC2=CC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])C=C2C=C1	REAL300012086599	0	43	0.0	-34.17	371.83	9.26	-24.91
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012086600	0	37	0.0	-25.14	325.26	8.07	-17.07
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])C=C2)=C1	REAL300012086601	0	51	0.0	-30.59	426.14	13.03	-17.56
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012086602	0	44	0.0	-36.50	376.74	11.70	-24.80
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012086603	0	38	0.0	-25.62	340.10	9.65	-15.97
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012086604	0	42	0.0	-31.54	368.88	9.55	-21.99
COCC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086605	0	42	0.0	-29.59	362.87	7.97	-21.62
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086606	0	48	0.0	-25.36	399.97	10.08	-15.28
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012086607	0	46	0.0	-31.18	409.72	12.39	-18.79
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012086608	0	45	0.0	-27.34	383.95	9.07	-18.27
COC1=CC(C)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OC	REAL300012086609	0	46	0.0	-31.52	382.62	8.09	-23.43
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086610	0	41	0.0	-27.34	371.02	9.11	-18.23
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012086611	0	39	0.0	-24.87	352.65	7.90	-16.97
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012086612	0	45	0.0	-32.64	399.79	10.03	-22.61
CC1CCC2=C(C1)SC(C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-])=N2	REAL300012086613	0	44	0.0	-27.33	375.14	9.39	-17.94
CC(C)(C)C1CCC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])CC1	REAL300012086614	0	53	0.0	-29.10	387.62	10.23	-18.87
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086615	0	49	0.0	-27.17	409.25	10.99	-16.18
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086616	0	49	0.0	-27.63	409.22	10.98	-16.65
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C(C)O1	REAL300012086617	0	38	0.0	-23.99	327.46	8.65	-15.34
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086618	0	48	0.0	-29.44	403.26	10.08	-19.36
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012086619	0	46	0.0	-25.44	387.53	10.81	-14.63
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1Cl	REAL300012086620	0	39	0.0	-26.83	365.18	8.50	-18.33
CC(C)CC1=NC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086621	0	43	0.0	-25.70	372.23	9.00	-16.70
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012086622	0	38	0.0	-30.25	363.87	8.31	-21.94
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012086623	0	38	0.0	-26.16	361.99	9.01	-17.15
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])S2)O1	REAL300012086624	0	41	0.0	-26.09	374.22	8.93	-17.16
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086625	0	38	0.0	-27.77	343.93	9.49	-18.28
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012086626	0	42	0.0	-29.83	372.06	8.21	-21.62
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012086627	0	44	0.0	-30.18	384.09	9.97	-20.21
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012086628	0	38	0.0	-26.99	353.25	9.24	-17.75
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086629	0	46	0.0	-27.52	390.59	7.76	-19.76
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086630	0	39	0.0	-27.79	355.76	8.32	-19.47
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012086631	0	38	0.0	-28.38	336.45	8.20	-20.18
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012086632	0	42	0.0	-27.40	371.81	8.64	-18.76
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086633	0	39	0.0	-29.67	337.30	7.55	-22.12
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012086634	0	42	0.0	-25.35	372.46	11.01	-14.34
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086635	0	43	0.0	-28.83	374.65	8.03	-20.80
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012086636	0	41	0.0	-29.50	350.33	8.20	-21.30
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012086637	0	35	0.0	-26.92	325.80	9.62	-17.30
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012086638	0	35	0.0	-26.91	321.23	9.51	-17.40
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012086639	0	42	0.0	-27.40	363.33	10.21	-17.19
CC(C)(C)N1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=N1	REAL300012086640	0	44	0.0	-28.45	367.26	8.82	-19.63
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC(C)=C1	REAL300012086641	0	41	0.0	-24.31	347.31	10.33	-13.98
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(CO)O1	REAL300012086642	0	36	0.0	-26.23	318.56	4.61	-21.62
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086643	0	42	0.0	-34.00	364.15	7.14	-26.86
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1Cl	REAL300012086644	0	35	0.0	-28.69	319.82	8.75	-19.94
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012086645	0	37	0.0	-36.11	334.04	9.72	-26.39
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012086646	0	37	0.0	-35.54	336.01	8.92	-26.62
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012086647	0	41	0.0	-24.96	341.43	11.03	-13.93
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086648	0	43	0.0	-28.80	360.31	8.67	-20.13
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086649	0	49	0.0	-28.73	404.24	10.60	-18.13
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012086650	0	35	0.0	-30.04	330.41	8.92	-21.12
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012086651	0	35	0.0	-30.03	325.84	8.81	-21.22
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC(OC)=C1OC	REAL300012086652	0	47	0.0	-29.22	396.41	8.12	-21.10
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012086653	0	35	0.0	-27.79	326.33	8.64	-19.15
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)C=C1	REAL300012086654	0	35	0.0	-30.70	315.52	8.36	-22.34
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012086655	0	39	0.0	-28.49	347.02	7.93	-20.56
COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1OC	REAL300012086656	0	43	0.0	-30.16	368.87	7.62	-22.54
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012086657	0	35	0.0	-24.98	336.40	9.17	-15.81
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012086658	0	48	0.0	-30.72	393.13	7.12	-23.60
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OC	REAL300012086659	0	43	0.0	-32.20	367.88	7.49	-24.71
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(OC)=C1	REAL300012086660	0	43	0.0	-27.66	366.74	6.94	-20.72
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012086661	0	38	0.0	-26.71	343.23	10.01	-16.70
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012086662	0	35	0.0	-27.50	321.11	8.38	-19.12
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012086663	0	35	0.0	-26.36	337.00	9.19	-17.17
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012086664	0	35	0.0	-30.17	341.05	9.26	-20.91
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012086665	0	39	0.0	-26.76	343.75	8.58	-18.18
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012086666	0	38	0.0	-27.78	333.04	10.07	-17.71
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086667	0	48	0.0	-29.71	403.47	10.10	-19.61
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086668	0	51	0.0	-26.71	417.75	11.37	-15.34
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086669	0	54	0.0	-25.97	441.86	12.37	-13.60
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012086670	0	46	0.0	-29.17	393.20	11.84	-17.33
COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086671	0	39	0.0	-27.46	334.01	8.30	-19.16
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086672	0	42	0.0	-29.90	356.79	10.07	-19.83
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OC	REAL300012086673	0	46	0.0	-31.44	388.41	8.37	-23.07
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086674	0	44	0.0	-28.08	368.02	10.18	-17.90
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012086675	0	38	0.0	-28.78	343.23	10.00	-18.78
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(OC)=C1OC	REAL300012086676	0	47	0.0	-28.39	396.37	8.21	-20.18
CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086677	0	42	0.0	-26.53	359.13	8.58	-17.95
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086678	0	42	0.0	-26.26	355.86	9.23	-17.03
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1F	REAL300012086679	0	35	0.0	-31.39	313.69	8.33	-23.06
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(F)=C1	REAL300012086680	0	35	0.0	-28.51	312.23	9.11	-19.40
COC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086681	0	39	0.0	-27.06	337.28	7.64	-19.42
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])SC=C1	REAL300012086682	0	35	0.0	-27.44	315.74	7.88	-19.56
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086683	0	39	0.0	-27.26	356.41	8.18	-19.08
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012086684	0	45	0.0	-26.25	378.71	12.42	-13.83
CC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086685	0	38	0.0	-22.84	315.60	9.51	-13.33
COC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012086686	0	45	0.0	-26.50	373.99	9.60	-16.90
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086687	0	38	0.0	-24.52	325.91	9.68	-14.84
N#CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086688	0	36	0.0	-30.43	326.68	9.44	-20.99
CSC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086689	0	39	0.0	-29.81	349.33	9.31	-20.50
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012086690	0	35	0.0	-26.52	337.21	9.12	-17.40
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086691	0	47	0.0	-30.04	395.93	6.85	-23.19
CC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086692	0	38	0.0	-25.27	327.23	9.71	-15.56
CCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086693	0	41	0.0	-28.20	350.68	9.69	-18.51
CC1=CC(C)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=C1	REAL300012086694	0	44	0.0	-25.60	360.57	9.90	-15.70
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012086695	0	35	0.0	-29.68	319.74	8.34	-21.34
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012086696	0	35	0.0	-31.79	321.84	8.41	-23.38
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012086697	0	49	0.0	-29.39	417.09	12.32	-17.07
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086698	0	35	0.0	-23.54	317.92	8.96	-14.58
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1Br	REAL300012086699	0	35	0.0	-27.95	321.65	8.81	-19.14
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1O	REAL300012086700	0	40	0.0	-31.36	349.39	5.43	-25.93
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086701	0	41	0.0	-31.60	349.99	7.03	-24.57
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086702	0	38	0.0	-25.19	342.66	7.65	-17.54
CCC1=NN(C)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086703	0	41	0.0	-27.88	347.74	8.12	-19.76
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012086704	0	38	0.0	-33.39	351.35	7.46	-25.93
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012086705	0	47	0.0	-27.36	377.34	8.39	-18.97
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Cl)O1	REAL300012086706	0	32	0.0	-23.55	303.62	7.81	-15.74
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086707	0	47	0.0	-35.02	403.29	10.15	-24.87
CCOC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1OC	REAL300012086708	0	46	0.0	-26.91	389.70	8.46	-18.45
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OCC(N)=O	REAL300012086709	0	47	0.0	-43.00	406.46	5.45	-37.55
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086710	0	41	0.0	-27.91	364.91	9.12	-18.79
CC1=NOC(C)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086711	0	37	0.0	-29.11	326.24	7.08	-22.03
CC1=NC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CS1	REAL300012086712	0	34	0.0	-31.41	314.38	5.97	-25.44
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC2=C1OCO2	REAL300012086713	0	42	0.0	-31.97	361.43	6.99	-24.98
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012086714	0	41	0.0	-25.95	360.25	8.83	-17.12
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-])OC(C)C2	REAL300012086715	0	47	0.0	-28.86	392.12	8.17	-20.69
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CS1	REAL300012086716	1	44	0.0	-27.92	383.10	8.85	-19.07
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1C	REAL300012086717	0	42	0.0	-29.50	357.38	8.29	-21.21
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086718	0	44	0.0	-27.91	356.34	7.16	-20.75
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086719	0	43	0.0	-28.78	365.43	7.02	-21.76
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086720	0	39	0.0	-29.73	340.97	7.55	-22.18
CSC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086721	0	36	0.0	-23.80	338.02	9.33	-14.47
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086722	0	48	0.0	-23.75	392.20	12.73	-11.02
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012086723	0	38	0.0	-29.48	330.50	7.65	-21.83
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(Cl)C=CS1	REAL300012086724	0	32	0.0	-25.93	313.30	7.79	-18.14
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086725	0	41	0.0	-36.86	368.49	5.77	-31.09
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086726	0	39	0.0	-28.88	343.67	7.71	-21.17
NC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086727	0	39	0.0	-35.24	343.66	5.07	-30.17
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1F	REAL300012086728	0	39	0.0	-32.13	343.54	7.61	-24.52
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086729	0	39	0.0	-27.29	351.84	8.08	-19.21
COC(=O)C1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CN1C	REAL300012086730	0	42	0.0	-34.37	363.93	9.20	-25.17
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1Cl	REAL300012086731	0	38	0.0	-30.42	343.27	9.35	-21.07
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1C	REAL300012086732	0	42	0.0	-30.18	358.71	8.33	-21.85
CC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1F	REAL300012086733	0	38	0.0	-26.79	335.02	8.95	-17.84
N#CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(F)=C1	REAL300012086734	0	36	0.0	-31.29	335.52	8.70	-22.59
CC1=NNC(C)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086735	0	38	0.0	-28.78	329.60	5.83	-22.95
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012086736	0	48	0.0	-29.61	409.85	10.63	-18.98
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012086737	0	34	0.0	-22.95	322.12	7.81	-15.14
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012086738	0	44	0.0	-26.38	378.19	6.32	-20.06
C#CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086739	0	44	0.0	-26.61	383.14	10.55	-16.06
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012086740	0	38	0.0	-25.86	332.80	9.55	-16.31
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])C=C12	REAL300012086741	0	43	0.0	-32.56	372.09	8.77	-23.79
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012086742	0	38	0.0	-32.14	345.58	7.51	-24.63
CCC1=NC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CS1	REAL300012086743	0	37	0.0	-31.62	337.18	6.75	-24.87
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012086744	0	38	0.0	-33.99	351.51	9.26	-24.73
CC1=NN(C)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086745	0	38	0.0	-29.56	330.19	6.54	-23.02
CCOCC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1OC	REAL300012086746	0	49	0.0	-31.59	411.39	8.46	-23.13
CCN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=N1	REAL300012086747	0	38	0.0	-30.16	332.16	6.92	-23.24
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086748	0	39	0.0	-36.01	339.05	5.78	-30.23
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012086749	0	38	0.0	-25.17	341.03	8.46	-16.71
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1CCCCCCC1	REAL300012086750	0	47	0.0	-24.57	347.16	10.18	-14.39
CC1=CSC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012086751	0	34	0.0	-28.10	312.41	6.77	-21.33
COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1F	REAL300012086752	0	39	0.0	-28.40	343.99	7.62	-20.78
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012086753	0	35	0.0	-27.40	330.36	8.72	-18.68
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012086754	0	42	0.0	-24.28	350.01	10.91	-13.37
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CSC=C1Br	REAL300012086755	0	32	0.0	-24.52	315.32	7.72	-16.80
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086756	0	48	0.0	-25.97	390.09	9.58	-16.39
CCN1N=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086757	0	38	0.0	-27.73	325.51	6.77	-20.96
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012086758	1	41	0.0	-27.00	353.03	8.75	-18.25
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012086759	0	35	0.0	-29.77	335.50	8.93	-20.84
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012086760	0	40	0.0	-32.41	350.13	8.76	-23.65
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012086761	0	35	0.0	-25.89	329.79	8.83	-17.06
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])SC=N1	REAL300012086762	0	34	0.0	-28.55	310.89	5.96	-22.59
COC1=CC(F)=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086763	0	39	0.0	-29.66	342.89	7.58	-22.08
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012086764	0	35	0.0	-27.51	335.28	8.92	-18.59
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=N1	REAL300012086765	0	45	0.0	-31.09	379.44	8.20	-22.89
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=CS1	REAL300012086766	0	35	0.0	-22.54	309.16	8.65	-13.89
CS(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086767	0	40	0.0	-37.53	361.33	6.89	-30.64
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012086768	0	45	0.0	-24.50	367.20	11.49	-13.01
N#CC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012086769	0	35	0.0	-26.06	320.45	7.47	-18.59
COC(=O)C1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CN1	REAL300012086770	0	39	0.0	-34.50	346.16	7.44	-27.06
COCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])O1	REAL300012086771	0	39	0.0	-25.57	342.13	7.07	-18.50
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=C1OC	REAL300012086772	0	46	0.0	-28.56	383.13	8.17	-20.39
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012086773	0	32	0.0	-25.20	327.94	8.21	-16.99
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086774	0	37	0.0	-27.93	317.18	7.63	-20.30
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086775	0	42	0.0	-25.91	356.54	8.23	-17.68
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CS1	REAL300012086776	0	35	0.0	-27.97	319.67	8.00	-19.97
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N=N1	REAL300012086777	0	36	0.0	-25.07	317.34	6.75	-18.32
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012086778	0	34	0.0	-32.26	335.20	6.70	-25.56
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086779	0	41	0.0	-34.64	365.20	6.52	-28.12
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(Cl)=CS1	REAL300012086780	0	32	0.0	-27.93	314.08	7.83	-20.10
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012086781	0	48	0.0	-24.91	389.37	12.24	-12.67
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N(C)N=C1	REAL300012086782	0	38	0.0	-29.85	330.04	6.48	-23.37
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086783	0	38	0.0	-30.50	347.26	9.46	-21.04
COCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086784	0	42	0.0	-30.61	364.18	8.02	-22.59
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012086785	0	42	0.0	-26.44	362.01	10.66	-15.78
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012086786	0	42	0.0	-28.89	358.34	10.40	-18.49
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NC=C(Cl)S1	REAL300012086787	0	31	0.0	-26.50	306.34	6.76	-19.74
C=CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=N1	REAL300012086788	0	36	0.0	-31.11	322.41	7.26	-23.85
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012086789	0	45	0.0	-27.45	371.13	8.66	-18.79
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086790	0	45	0.0	-27.61	382.96	9.92	-17.69
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012086791	0	38	0.0	-30.25	339.97	9.12	-21.13
COC1=CC(C)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=N1	REAL300012086792	0	44	0.0	-24.86	363.65	6.71	-18.15
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086793	0	39	0.0	-26.54	347.32	7.92	-18.62
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086794	0	45	0.0	-28.05	372.09	8.86	-19.19
CC1=NC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012086795	0	45	0.0	-26.19	384.86	11.32	-14.87
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=NN1C	REAL300012086796	0	38	0.0	-32.81	330.49	6.53	-26.28
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1C	REAL300012086797	0	47	0.0	-30.52	391.97	8.61	-21.91
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012086798	0	40	0.0	-27.56	346.48	8.67	-18.89
COCCN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=N1	REAL300012086799	0	42	0.0	-32.99	365.83	5.97	-27.02
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012086800	0	45	0.0	-24.41	370.26	11.59	-12.82
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012086801	0	45	0.0	-27.11	380.30	10.64	-16.47
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1F	REAL300012086802	0	42	0.0	-31.11	365.39	8.55	-22.56
COC1=CC=CC2=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])C=CC=C12	REAL300012086803	0	45	0.0	-25.88	369.77	10.38	-15.50
N#CC1=CSC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086804	0	33	0.0	-33.28	320.39	7.81	-25.47
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1C#N	REAL300012086805	0	40	0.0	-36.42	358.84	8.00	-28.42
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086806	0	45	0.0	-28.62	378.07	9.98	-18.64
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012086807	0	34	0.0	-27.20	329.85	7.32	-19.88
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1C#N	REAL300012086808	0	39	0.0	-33.67	347.82	9.14	-24.53
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(Br)=C1	REAL300012086809	0	39	0.0	-25.17	352.74	8.04	-17.13
CC1=CN=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086810	0	34	0.0	-27.67	312.52	6.97	-20.70
CC(C)CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=N1	REAL300012086811	0	44	0.0	-30.09	370.34	8.54	-21.55
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012086812	0	42	0.0	-24.04	345.00	10.93	-13.11
CC1=CC(Br)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086813	0	35	0.0	-24.83	338.53	8.66	-16.17
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086814	0	50	0.0	-32.02	414.20	11.71	-20.31
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086815	0	45	0.0	-25.24	394.70	10.88	-14.36
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CC=C21	REAL300012086817	0	46	0.0	-34.78	383.66	9.14	-25.64
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086818	0	42	0.0	-27.33	366.27	8.52	-18.81
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012086819	0	41	0.0	-31.86	376.51	9.47	-22.39
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012086820	0	46	0.0	-27.36	406.06	10.62	-16.74
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086821	0	44	0.0	-28.77	370.39	7.92	-20.85
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012086822	0	44	0.0	-24.94	376.42	9.63	-15.31
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012086823	0	38	0.0	-29.36	345.72	7.88	-21.48
CC(C)C1=NC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086824	0	40	0.0	-25.65	354.79	8.36	-17.29
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012086825	0	38	0.0	-31.87	354.77	7.32	-24.55
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])C=C2)C=N1	REAL300012086826	0	45	0.0	-31.22	385.94	10.34	-20.88
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012086827	0	38	0.0	-33.38	344.00	7.25	-26.13
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012086828	0	45	0.0	-25.10	390.15	10.22	-14.88
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012086829	0	46	0.0	-29.02	405.80	10.60	-18.42
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N1	REAL300012086830	0	43	0.0	-37.18	364.61	6.37	-30.81
NC(=O)C1=CSC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086831	0	36	0.0	-33.85	335.47	4.15	-29.70
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=N1	REAL300012086832	0	49	0.0	-32.76	417.50	10.72	-22.04
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086833	0	47	0.0	-27.90	391.67	8.44	-19.46
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012086834	0	41	0.0	-25.54	360.38	9.16	-16.38
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012086835	0	42	0.0	-29.97	370.72	6.44	-23.53
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N=N1	REAL300012086836	0	44	0.0	-24.94	378.55	9.73	-15.21
CN1N=C(Br)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086837	0	35	0.0	-29.80	331.47	6.37	-23.43
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])S2)C=N1	REAL300012086838	0	42	0.0	-33.27	383.08	8.98	-24.29
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012086839	0	47	0.0	-33.86	388.19	9.17	-24.69
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086840	0	42	0.0	-25.53	375.25	9.13	-16.40
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086841	0	41	0.0	-29.92	350.03	9.53	-20.39
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012086842	0	35	0.0	-23.10	338.72	10.02	-13.08
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012086843	0	35	0.0	-25.30	322.04	6.95	-18.35
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086844	0	46	0.0	-29.33	393.89	8.64	-20.69
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012086845	0	39	0.0	-27.73	356.95	8.08	-19.65
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012086846	0	42	0.0	-28.68	365.83	9.04	-19.64
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012086847	0	48	0.0	-29.28	401.57	11.17	-18.11
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012086848	0	48	0.0	-25.92	402.81	9.76	-16.16
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012086851	0	38	0.0	-25.06	340.38	8.46	-16.60
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012086852	0	41	0.0	-27.38	366.60	11.48	-15.90
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086853	0	45	0.0	-31.43	387.17	8.80	-22.63
COCCCN1N=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086854	0	45	0.0	-27.62	380.68	6.60	-21.02
CC1=CC(F)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(Cl)=C1	REAL300012086855	0	38	0.0	-24.66	346.57	10.16	-14.50
COCCOCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086856	0	49	0.0	-32.76	419.66	8.25	-24.51
CSCC1=CN=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086857	0	38	0.0	-28.60	360.55	7.44	-21.16
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012086858	0	35	0.0	-24.71	326.86	8.19	-16.52
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012086859	0	41	0.0	-32.00	379.64	10.85	-21.15
CCN1N=C(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012086860	0	40	0.0	-29.33	344.97	6.62	-22.71
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012086861	0	42	0.0	-28.53	358.34	10.39	-18.14
CC1=NN(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086862	0	38	0.0	-29.78	331.69	6.45	-23.33
N#CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1F	REAL300012086863	0	36	0.0	-34.98	334.56	8.68	-26.30
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012086864	0	38	0.0	-27.07	344.11	8.10	-18.97
CC1=CC(F)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(F)=C1	REAL300012086865	0	38	0.0	-28.27	339.82	8.97	-19.30
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])O1	REAL300012086866	0	45	0.0	-33.87	395.28	8.55	-25.32
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086867	0	44	0.0	-27.30	366.77	8.38	-18.92
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CN1	REAL300012086868	0	42	0.0	-32.49	361.55	8.00	-24.49
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086869	0	45	0.0	-33.25	388.64	11.00	-22.25
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086870	0	48	0.0	-31.00	409.77	10.71	-20.29
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086871	0	45	0.0	-33.31	384.41	10.20	-23.11
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086872	0	44	0.0	-26.71	363.04	10.06	-16.65
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012086873	0	42	0.0	-23.92	349.10	8.34	-15.58
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012086874	0	41	0.0	-28.47	353.82	7.73	-20.74
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012086875	0	37	0.0	-25.57	327.11	7.80	-17.77
COC1=CC(OC)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1F	REAL300012086876	0	43	0.0	-30.29	370.78	6.94	-23.35
COC1=CC(F)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OC	REAL300012086877	0	43	0.0	-32.05	370.23	7.46	-24.59
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(Cl)=C1	REAL300012086878	0	38	0.0	-25.82	339.03	10.16	-15.66
CCC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086879	0	41	0.0	-28.51	352.02	9.72	-18.79
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086880	0	48	0.0	-28.48	403.73	11.46	-17.02
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(F)=C1	REAL300012086881	0	39	0.0	-27.61	344.19	7.60	-20.01
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012086882	0	42	0.0	-24.40	350.03	10.88	-13.52
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086883	0	39	0.0	-29.08	340.45	7.59	-21.49
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=C1	REAL300012086884	0	48	0.0	-27.71	395.46	9.90	-17.81
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012086885	0	37	0.0	-33.00	341.25	8.03	-24.97
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C2CCCN2N=C1	REAL300012086886	0	39	0.0	-26.30	330.98	7.60	-18.70
CCC1=C2OC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CC2=CC=C1	REAL300012086887	0	44	0.0	-24.02	375.26	10.96	-13.06
C=CCCN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N=N1	REAL300012086888	0	41	0.0	-37.73	361.66	6.94	-30.79
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012086889	0	42	0.0	-29.60	362.34	8.29	-21.31
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012086890	0	43	0.0	-28.66	375.06	9.29	-19.37
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=C1	REAL300012086891	0	45	0.0	-27.62	373.15	9.05	-18.57
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012086892	0	39	0.0	-28.89	352.13	7.95	-20.94
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012086893	0	39	0.0	-28.86	351.27	7.92	-20.94
COC1=NC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086894	0	38	0.0	-29.20	331.55	5.84	-23.36
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012086895	0	48	0.0	-24.38	388.73	12.21	-12.17
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=N1	REAL300012086896	0	45	0.0	-29.62	390.34	7.20	-22.42
COCC1=CSC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086897	0	39	0.0	-25.53	351.35	7.88	-17.65
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012086898	0	41	0.0	-24.12	346.69	7.48	-16.64
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012086899	0	35	0.0	-29.10	337.60	8.36	-20.74
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012086900	0	35	0.0	-23.63	326.42	8.36	-15.27
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012086901	0	35	0.0	-21.93	322.57	9.07	-12.86
CN(C)C1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=CC(F)=C1F	REAL300012086902	0	43	0.0	-27.07	366.63	8.28	-18.79
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012086903	0	35	0.0	-28.15	331.39	8.67	-19.48
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012086904	0	47	0.0	-32.29	393.13	7.89	-24.40
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1F	REAL300012086905	0	43	0.0	-24.65	371.22	8.63	-16.02
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086906	0	49	0.0	-30.41	409.56	10.00	-20.41
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012086907	0	35	0.0	-24.68	322.94	9.22	-15.46
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012086908	0	42	0.0	-30.27	376.02	8.54	-21.73
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OC1CC1	REAL300012086909	0	47	0.0	-28.02	394.29	9.87	-18.15
CCCN1N=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086910	0	41	0.0	-27.42	347.01	7.53	-19.89
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086911	0	38	0.0	-30.27	349.80	6.80	-23.47
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086912	0	49	0.0	-26.69	406.09	9.21	-17.48
CCCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086913	0	41	0.0	-29.15	364.21	9.75	-19.40
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012086914	0	42	0.0	-26.67	371.86	11.62	-15.05
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012086915	0	48	0.0	-27.40	402.09	10.41	-16.99
CC(C)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086916	0	44	0.0	-25.18	366.05	10.97	-14.21
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(Cl)=N1	REAL300012086917	0	35	0.0	-32.95	326.39	6.43	-26.52
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1C(C)(C)C	REAL300012086918	0	51	0.0	-26.20	406.50	11.03	-15.17
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012086919	0	48	0.0	-28.76	400.18	11.80	-16.96
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=NC=C1Br	REAL300012086920	0	37	0.0	-21.98	339.30	8.36	-13.62
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012086921	0	36	0.0	-27.87	335.56	5.94	-21.93
CN1C=C(C2=NC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CS2)C=N1	REAL300012086922	0	41	0.0	-25.99	374.00	7.59	-18.40
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1Cl	REAL300012086923	0	39	0.0	-31.49	354.66	8.14	-23.35
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012086924	0	45	0.0	-29.23	375.09	8.66	-20.57
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012086925	0	41	0.0	-25.37	363.83	8.90	-16.47
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012086926	0	41	0.0	-30.28	358.33	9.85	-20.43
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(Br)=N1	REAL300012086927	0	35	0.0	-31.91	330.44	6.50	-25.41
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(F)=C1	REAL300012086928	0	38	0.0	-27.75	331.46	9.72	-18.03
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086929	0	42	0.0	-30.17	360.61	7.90	-22.27
CN1N=CC2=CC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CN=C21	REAL300012086930	0	40	0.0	-34.52	353.44	7.42	-27.10
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012086931	0	34	0.0	-23.65	326.16	7.80	-15.85
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OC	REAL300012086932	0	43	0.0	-29.60	375.26	7.82	-21.78
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012086933	0	41	0.0	-31.15	368.78	10.03	-21.12
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086934	0	45	0.0	-29.69	373.32	8.27	-21.42
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C(C)N1	REAL300012086935	0	48	0.0	-29.55	409.46	8.69	-20.86
CC1=C(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CS1	REAL300012086936	0	38	0.0	-26.62	333.56	8.54	-18.08
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012086937	0	34	0.0	-28.47	322.10	7.69	-20.78
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(Br)SC=C1	REAL300012086938	0	32	0.0	-21.88	313.81	8.69	-13.19
CCOC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C(F)C=C1OC	REAL300012086939	0	46	0.0	-31.90	392.08	8.38	-23.52
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012086940	0	41	0.0	-26.21	348.95	11.13	-15.08
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CN=C1Br	REAL300012086941	0	34	0.0	-30.23	313.85	6.81	-23.42
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012086942	0	39	0.0	-28.25	360.20	8.21	-20.04
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086943	0	45	0.0	-27.24	381.30	9.19	-18.05
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086944	0	42	0.0	-30.41	366.89	8.58	-21.83
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012086945	0	49	0.0	-35.09	400.51	10.02	-25.07
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012086946	0	39	0.0	-28.37	351.79	7.80	-20.57
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086947	0	48	0.0	-27.46	384.90	10.14	-17.32
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086948	0	38	0.0	-26.48	335.83	9.26	-17.22
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C(F)C=C1C	REAL300012086949	0	42	0.0	-30.07	361.08	8.29	-21.78
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=C1Br	REAL300012086950	0	41	0.0	-24.61	351.89	10.60	-14.01
CC1=CC=NC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1Br	REAL300012086951	0	37	0.0	-27.82	339.45	7.49	-20.33
COCCC1=NC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086953	0	41	0.0	-26.01	366.36	6.78	-19.23
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012086954	1	36	0.0	-28.44	329.24	5.56	-22.88
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086955	0	43	0.0	-25.15	369.39	8.69	-16.46
CCN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012086956	0	48	0.0	-29.66	405.12	10.14	-19.52
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012086957	0	43	0.0	-24.64	352.02	9.02	-15.62
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1C	REAL300012086958	0	51	0.0	-28.30	410.46	9.51	-18.79
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012086959	0	37	0.0	-35.15	333.58	9.59	-25.56
CC1=C(Br)C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086960	0	35	0.0	-27.60	339.56	8.71	-18.89
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012086961	0	40	0.0	-27.48	338.55	9.21	-18.27
CCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1C	REAL300012086962	0	48	0.0	-29.59	402.06	10.06	-19.53
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012086963	0	39	0.0	-33.07	345.17	6.70	-26.37
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086964	0	42	0.0	-28.61	362.30	8.51	-20.10
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012086965	0	40	0.0	-33.17	339.74	10.07	-23.10
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086966	0	43	0.0	-34.60	368.37	9.94	-24.66
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(F)=C1OC	REAL300012086967	0	43	0.0	-29.00	375.02	7.54	-21.46
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(F)=C1	REAL300012086968	0	41	0.0	-29.59	367.32	8.89	-20.70
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012086969	0	45	0.0	-30.81	391.15	9.38	-21.43
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012086970	0	49	0.0	-30.99	419.08	11.52	-19.47
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012086971	0	42	0.0	-29.13	368.15	8.72	-20.41
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012086972	0	34	0.0	-22.99	317.55	7.71	-15.28
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086973	0	51	0.0	-27.61	422.62	12.09	-15.52
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086974	0	42	0.0	-30.71	362.78	9.72	-20.99
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(CCF)N=C1	REAL300012086975	0	38	0.0	-33.87	340.06	7.10	-26.77
CCCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012086977	0	44	0.0	-28.08	372.18	10.47	-17.61
CC1=C2C=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])C=NC2=NN1	REAL300012086978	0	40	0.0	-41.29	352.19	6.80	-34.49
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012086979	0	43	0.0	-32.60	378.09	5.71	-26.89
CN1N=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C2=CC=CC=C21	REAL300012086980	0	41	0.0	-28.94	355.77	8.96	-19.98
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012086981	0	38	0.0	-31.92	336.02	6.90	-25.02
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012086981	1	38	0.0	-27.80	336.22	6.92	-20.88
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086982	0	35	0.0	-32.48	342.59	7.58	-24.90
CCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086983	0	38	0.0	-29.21	342.72	8.97	-20.24
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012086984	0	40	0.0	-26.55	344.63	8.51	-18.04
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012086985	0	41	0.0	-27.01	352.30	10.00	-17.01
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086986	0	55	0.0	-25.48	427.59	11.15	-14.33
CCC1=NC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086987	0	37	0.0	-25.31	332.69	7.71	-17.60
COC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])SC=C1	REAL300012086988	0	36	0.0	-27.77	329.24	6.69	-21.08
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012086989	0	41	0.0	-33.61	363.16	6.45	-27.16
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CSC=C1Cl	REAL300012086990	0	32	0.0	-25.77	313.82	7.69	-18.08
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086991	0	40	0.0	-29.92	363.47	7.47	-22.45
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012086992	0	46	0.0	-28.99	405.42	8.77	-20.22
CCCC(C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-])C1=CC=CC=C1	REAL300012086993	0	47	0.0	-26.18	381.74	11.56	-14.62
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012086994	0	40	0.0	-27.94	362.82	9.22	-18.72
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1CC2CCC1C2	REAL300012086995	0	42	0.0	-29.63	332.24	8.84	-20.79
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)N=C1	REAL300012086996	0	34	0.0	-33.64	308.23	6.37	-27.27
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012086997	0	35	0.0	-25.02	336.68	9.35	-15.67
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1(C(F)F)CC1	REAL300012086998	0	35	0.0	-29.33	307.48	7.81	-21.52
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012086999	0	45	0.0	-31.49	389.53	10.87	-20.62
CC1=CN=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N1C	REAL300012087000	0	38	0.0	-33.50	328.12	7.10	-26.40
CC(C)C1CCC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])CC1	REAL300012087001	0	50	0.0	-30.94	377.23	10.06	-20.88
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012087002	0	38	0.0	-23.19	365.73	10.39	-12.80
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087003	0	46	0.0	-33.04	393.93	9.64	-23.40
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087004	0	49	0.0	-31.55	406.31	9.84	-21.71
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087005	0	45	0.0	-26.27	379.77	9.04	-17.23
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012087006	0	44	0.0	-31.85	380.32	9.85	-22.00
CCC1=NOC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087007	0	37	0.0	-30.30	326.49	7.05	-23.25
CN1N=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1Cl	REAL300012087008	0	35	0.0	-28.30	327.76	6.42	-21.88
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012087009	0	37	0.0	-27.27	328.47	6.52	-20.75
COC1=CC=C(N2C=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])C=N2)C=C1	REAL300012087010	0	46	0.0	-31.94	394.14	9.55	-22.39
CC1=CN=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087011	0	37	0.0	-29.69	319.29	7.13	-22.56
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012087012	0	37	0.0	-25.71	345.24	7.02	-18.69
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012087013	0	42	0.0	-27.29	353.66	11.13	-16.16
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NC=C1Br	REAL300012087014	0	34	0.0	-29.44	317.56	7.06	-22.38
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012087015	0	38	0.0	-31.49	358.91	5.73	-25.76
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012087016	0	41	0.0	-27.84	352.56	8.98	-18.86
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(F)=C1	REAL300012087017	0	40	0.0	-39.54	365.73	3.21	-36.33
CC(C)N1C=CN=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087019	0	41	0.0	-31.99	348.66	8.06	-23.93
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087020	0	37	0.0	-28.59	336.18	7.49	-21.10
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087021	0	38	0.0	-31.48	343.91	6.78	-24.70
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087022	0	42	0.0	-24.65	356.54	8.69	-15.96
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087023	0	45	0.0	-29.36	376.22	8.44	-20.92
CC1=NC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N1C	REAL300012087024	0	38	0.0	-29.74	329.67	7.26	-22.48
CC1=C2C=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])NC2=CC=C1	REAL300012087025	0	42	0.0	-29.81	359.81	8.80	-21.01
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012087026	0	41	0.0	-29.68	354.55	7.20	-22.48
CC1=CC=C2C=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])NC2=C1	REAL300012087027	0	42	0.0	-29.14	360.23	8.81	-20.33
CC1=NC=CN=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087028	0	36	0.0	-28.96	312.78	5.86	-23.10
CCOC1=CN=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087029	0	41	0.0	-27.62	352.09	7.46	-20.16
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NC=C1Cl	REAL300012087030	0	34	0.0	-30.21	315.66	6.99	-23.22
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012087031	0	46	0.0	-29.89	384.29	6.90	-22.99
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012087032	0	38	0.0	-26.97	329.88	7.68	-19.29
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087033	0	43	0.0	-29.03	345.32	9.43	-19.60
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NC(F)=C1	REAL300012087034	0	34	0.0	-35.07	310.43	6.46	-28.61
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012087035	0	39	0.0	-26.41	335.87	9.03	-17.38
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012087036	0	38	0.0	-35.26	337.09	6.50	-28.76
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012087037	0	37	0.0	-32.70	338.54	7.37	-25.33
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087038	0	44	0.0	-31.50	382.27	8.69	-22.81
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012087039	0	45	0.0	-28.40	380.28	6.49	-21.91
COC1=CN=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1C	REAL300012087040	0	41	0.0	-30.18	348.37	6.38	-23.80
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=C1	REAL300012087041	0	48	0.0	-29.77	397.04	11.34	-18.43
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012087042	0	45	0.0	-27.62	380.83	6.62	-21.00
CCCN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N=N1	REAL300012087043	0	40	0.0	-37.55	347.53	6.36	-31.19
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087044	0	43	0.0	-27.54	366.75	8.36	-19.18
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012087045	0	39	0.0	-23.50	335.87	9.65	-13.85
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012087046	0	40	0.0	-34.15	351.92	9.44	-24.71
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1C	REAL300012087047	0	48	0.0	-30.60	394.72	11.27	-19.33
CC1=NSC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087048	0	34	0.0	-31.96	314.36	6.67	-25.29
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012087049	0	40	0.0	-36.67	362.03	3.20	-33.47
CCN1N=CN=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087050	0	37	0.0	-22.84	319.20	8.21	-14.63
CCC1=CNC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012087052	0	38	0.0	-23.45	327.28	7.07	-16.38
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012087053	0	44	0.0	-30.08	360.76	8.75	-21.33
CC1=NN(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1Cl	REAL300012087054	0	38	0.0	-30.75	348.21	6.94	-23.81
CN1C=CC(C2=NC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CS2)=N1	REAL300012087055	0	41	0.0	-27.00	374.12	7.47	-19.53
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012087056	0	48	0.0	-27.55	390.83	9.86	-17.69
CC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1Br	REAL300012087057	0	38	0.0	-24.40	341.47	9.33	-15.07
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012087058	0	43	0.0	-27.15	359.51	9.69	-17.46
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087059	0	45	0.0	-36.48	377.99	8.89	-27.59
CCC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(Cl)=NN1	REAL300012087060	0	38	0.0	-31.34	345.90	6.37	-24.97
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012087061	0	39	0.0	-26.48	355.49	7.25	-19.23
CCC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=NO1	REAL300012087062	0	40	0.0	-27.20	341.67	7.78	-19.42
CCN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N=N1	REAL300012087063	0	37	0.0	-38.42	327.35	5.63	-32.79
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C2CCCCC2=N1	REAL300012087064	0	47	0.0	-29.42	381.71	9.47	-19.95
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012087065	0	50	0.0	-24.67	394.41	9.92	-14.75
CCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])O1	REAL300012087066	0	39	0.0	-24.38	341.42	8.57	-15.81
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012087067	0	34	0.0	-35.35	333.46	6.36	-28.99
CCN1C=NC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087068	0	38	0.0	-33.82	331.69	8.42	-25.40
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CN=C1F	REAL300012087069	0	37	0.0	-30.75	327.44	7.84	-22.91
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087070	0	37	0.0	-31.43	323.52	6.99	-24.44
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012087071	0	38	0.0	-31.44	348.34	9.25	-22.19
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1C	REAL300012087072	0	44	0.0	-32.76	379.97	9.49	-23.27
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=C1	REAL300012087073	0	42	0.0	-27.81	351.30	8.13	-19.68
CC1=C(Cl)C=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1Cl	REAL300012087074	0	38	0.0	-25.74	354.63	9.75	-15.99
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087075	0	36	0.0	-30.98	342.32	9.18	-21.80
CC1CC2=CC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CC=C2O1	REAL300012087076	0	43	0.0	-30.08	363.86	8.79	-21.29
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012087077	0	38	0.0	-38.39	336.25	6.50	-31.89
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012087078	0	40	0.0	-27.50	344.87	8.11	-19.39
CSCC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012087079	0	42	0.0	-30.05	373.92	10.14	-19.91
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012087080	0	45	0.0	-29.68	380.05	9.00	-20.68
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087081	0	43	0.0	-25.39	358.85	6.58	-18.81
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087082	0	42	0.0	-26.34	352.53	8.53	-17.81
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012087083	0	42	0.0	-28.39	357.90	8.09	-20.30
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012087084	0	42	0.0	-26.07	353.99	8.83	-17.24
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087085	0	48	0.0	-31.45	411.39	9.84	-21.61
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087086	0	45	0.0	-29.88	391.48	9.16	-20.72
COC1=CC=C(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087087	0	42	0.0	-30.13	353.45	8.19	-21.94
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=C21	REAL300012087088	0	41	0.0	-29.94	345.38	9.45	-20.49
CCC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087089	0	41	0.0	-27.14	342.56	9.57	-17.57
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012087090	0	45	0.0	-33.99	375.56	8.85	-25.14
CC1=CC(F)=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087091	0	38	0.0	-30.84	335.61	8.98	-21.86
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=C1C	REAL300012087092	0	44	0.0	-27.54	358.65	10.01	-17.53
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012087093	0	45	0.0	-34.23	385.75	7.37	-26.86
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087094	0	47	0.0	-25.08	356.92	10.11	-14.97
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012087095	0	45	0.0	-28.82	361.89	9.44	-19.38
COC1=CC=C2SC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CC2=C1	REAL300012087096	0	42	0.0	-30.51	373.91	9.03	-21.48
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CON=C1C1CC1	REAL300012087097	0	38	0.0	-28.12	332.58	8.61	-19.51
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012087098	0	51	0.0	-34.30	420.12	10.03	-24.27
CCN1CCC2=CC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CC=C21	REAL300012087099	0	47	0.0	-29.74	381.58	8.42	-21.32
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012087100	0	48	0.0	-34.80	401.98	9.15	-25.65
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=NN1C(C)C	REAL300012087101	0	44	0.0	-31.36	369.92	7.98	-23.38
CSC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1Cl	REAL300012087102	0	39	0.0	-30.24	364.36	9.76	-20.48
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1C1CC1	REAL300012087103	0	45	0.0	-24.39	371.54	11.62	-12.77
CCOC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=N1	REAL300012087104	0	41	0.0	-32.56	356.75	5.89	-26.67
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1C1CC1	REAL300012087105	0	45	0.0	-24.01	370.94	11.63	-12.38
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])C(C)=C2)C=C1	REAL300012087106	0	48	0.0	-31.39	402.64	10.54	-20.85
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])O2)N1	REAL300012087107	0	42	0.0	-26.85	373.09	7.80	-19.05
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])O1	REAL300012087108	0	36	0.0	-23.96	318.24	7.58	-16.38
COCCOC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])O1	REAL300012087109	0	43	0.0	-26.52	375.04	7.80	-18.72
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087110	0	47	0.0	-27.98	391.25	8.56	-19.42
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NN(CCF)C=C1	REAL300012087111	0	38	0.0	-24.76	335.48	7.73	-17.03
CCN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=N1	REAL300012087112	0	41	0.0	-29.86	353.12	7.53	-22.33
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=C1	REAL300012087113	0	51	0.0	-25.39	417.20	12.60	-12.79
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2CC2)=N1	REAL300012087114	0	42	0.0	-28.86	360.46	9.03	-19.83
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087115	0	47	0.0	-32.36	402.54	7.65	-24.71
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087116	0	42	0.0	-28.81	359.10	7.86	-20.95
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087117	0	45	0.0	-32.66	378.30	11.13	-21.53
CC(C)C1=NOC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087118	0	40	0.0	-30.02	347.35	7.57	-22.45
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012087119	0	39	0.0	-27.54	357.53	6.72	-20.82
COC1=NC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1F	REAL300012087121	0	38	0.0	-28.04	339.64	4.97	-23.07
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012087122	0	35	0.0	-28.92	323.19	9.00	-19.92
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012087123	0	47	0.0	-23.52	388.41	10.60	-12.92
CC1=C(C)SC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012087124	0	37	0.0	-27.86	331.30	7.48	-20.38
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012087125	0	44	0.0	-39.41	385.96	8.59	-30.82
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])CC1	REAL300012087126	0	55	0.0	-30.58	428.22	10.03	-20.55
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087127	0	37	0.0	-20.43	333.08	8.22	-12.21
CC1OC2=CC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])C=C2C1C	REAL300012087128	0	46	0.0	-30.81	382.54	9.39	-21.42
CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OC(F)F	REAL300012087129	0	42	0.0	-32.64	367.14	8.57	-24.07
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087130	0	47	0.0	-26.93	381.57	10.81	-16.12
CN1N=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012087131	0	41	0.0	-35.27	353.66	4.96	-30.31
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012087132	0	38	0.0	-26.96	341.34	6.92	-20.04
CC(C)CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N=N1	REAL300012087133	0	43	0.0	-24.72	359.91	7.75	-16.97
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012087135	0	35	0.0	-32.64	330.19	5.62	-27.02
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012087136	0	40	0.0	-29.25	341.68	8.90	-20.35
CN1C=C(Cl)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012087137	1	35	0.0	-25.78	325.26	7.25	-18.53
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=CS1	REAL300012087138	0	38	0.0	-30.21	352.65	5.25	-24.96
CSC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087139	0	39	0.0	-28.14	346.04	10.06	-18.08
CC(C)C1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])N(C)N=C1	REAL300012087140	0	44	0.0	-29.34	371.26	7.79	-21.55
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC(C)=N1	REAL300012087141	0	40	0.0	-30.49	345.90	7.70	-22.79
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012087142	0	45	0.0	-30.15	381.05	9.14	-21.01
CCCN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=N1	REAL300012087143	0	44	0.0	-29.51	374.62	8.29	-21.22
CCN1C=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012087144	0	38	0.0	-24.41	328.89	7.59	-16.82
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012087145	0	37	0.0	-27.91	327.13	7.72	-20.19
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012087147	0	42	0.0	-29.30	374.35	10.53	-18.77
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012087148	0	43	0.0	-31.10	369.66	9.26	-21.84
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012087149	0	39	0.0	-26.45	358.53	8.02	-18.43
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=C1	REAL300012087150	0	48	0.0	-33.70	404.32	11.30	-22.40
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])C=C2)C=N1	REAL300012087151	0	48	0.0	-31.47	403.55	12.66	-18.81
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087152	0	42	0.0	-37.10	362.30	7.32	-29.78
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012087153	0	49	0.0	-24.77	400.79	13.07	-11.70
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087155	0	45	0.0	-35.86	382.47	8.12	-27.74
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012087156	0	41	0.0	-24.29	360.26	10.26	-14.03
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012087157	0	42	0.0	-26.68	351.62	7.91	-18.77
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087158	0	45	0.0	-29.11	385.90	10.17	-18.94
CCCN1C=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012087159	0	41	0.0	-24.13	350.39	8.35	-15.78
CC(C)N1C=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012087160	0	41	0.0	-24.46	348.92	8.14	-16.32
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087161	0	46	0.0	-24.64	375.88	9.51	-15.13
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012087162	0	38	0.0	-28.43	348.09	8.12	-20.31
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012087163	0	45	0.0	-26.03	379.74	10.25	-15.78
CN1C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=NC2=C1CCCC2	REAL300012087164	0	45	0.0	-31.85	368.54	9.71	-22.14
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087165	0	38	0.0	-29.89	348.45	6.25	-23.64
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012087166	0	38	0.0	-27.82	345.42	7.06	-20.76
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012087167	0	38	0.0	-28.21	344.94	9.15	-19.06
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012087168	0	43	0.0	-28.80	355.84	8.29	-20.51
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087169	0	42	0.0	-26.73	373.70	9.01	-17.72
COC1=NN(C)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087170	0	39	0.0	-29.31	344.84	4.03	-25.28
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012087172	0	42	0.0	-33.82	367.13	8.04	-25.78
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012087173	0	42	0.0	-24.03	350.10	9.87	-14.16
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012087174	0	37	0.0	-33.99	343.75	9.03	-24.96
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012087175	0	48	0.0	-30.97	391.62	9.26	-21.71
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012087176	0	42	0.0	-26.94	378.36	10.48	-16.46
CN(CCO)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=N1	REAL300012087177	0	46	0.0	-32.13	388.70	5.86	-26.27
COC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012087178	0	51	0.0	-24.68	400.43	9.95	-14.73
CN1C=C(Br)N=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087179	0	35	0.0	-22.70	325.64	7.85	-14.85
COC1=CC(C)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=N1	REAL300012087180	0	41	0.0	-30.58	351.44	5.61	-24.97
COC1=CC(C)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1O	REAL300012087181	0	43	0.0	-31.27	362.58	5.88	-25.39
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012087182	0	41	0.0	-42.29	365.89	7.40	-34.89
CN1C(=O)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012087183	0	44	0.0	-39.17	373.46	8.98	-30.19
COC1=NC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1C	REAL300012087184	0	41	0.0	-32.99	356.44	5.67	-27.32
CCCN1C=NC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087185	0	41	0.0	-27.18	345.25	9.10	-18.08
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CNC1=O	REAL300012087186	0	35	0.0	-42.39	312.75	5.20	-37.19
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012087187	0	42	0.0	-32.45	362.91	9.00	-23.45
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012087188	0	48	0.0	-28.14	398.91	11.77	-16.37
CCC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=NN1CC	REAL300012087189	0	44	0.0	-23.76	363.51	8.92	-14.84
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012087190	0	35	0.0	-29.97	334.61	8.79	-21.18
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012087191	0	39	0.0	-30.30	339.41	6.70	-23.60
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012087192	0	39	0.0	-32.81	352.83	7.85	-24.96
COC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=CS1	REAL300012087193	0	36	0.0	-26.08	328.51	6.63	-19.45
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012087194	0	38	0.0	-32.00	346.81	8.02	-23.98
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087195	0	41	0.0	-27.61	357.71	10.53	-17.08
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012087196	0	41	0.0	-30.31	369.90	8.99	-21.32
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=N1	REAL300012087197	0	42	0.0	-36.14	368.54	5.92	-30.22
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1Cl	REAL300012087198	0	44	0.0	-26.31	389.26	8.52	-17.79
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])S1	REAL300012087199	0	41	0.0	-26.06	372.50	8.37	-17.69
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012087200	0	35	0.0	-22.65	321.74	9.18	-13.47
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012087201	0	42	0.0	-30.26	374.68	10.72	-19.54
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087202	0	44	0.0	-30.77	371.12	7.12	-23.65
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012087203	0	41	0.0	-27.21	364.65	10.85	-16.36
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012087204	0	52	0.0	-25.14	416.53	11.04	-14.10
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087205	0	42	0.0	-27.36	356.26	10.15	-17.21
CCN1CCCC2=CC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=CC=C21	REAL300012087206	0	50	0.0	-25.41	395.03	10.20	-15.21
COCC1=CN=C(OC)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087207	0	45	0.0	-23.57	384.40	5.54	-18.03
CN1N=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1Br	REAL300012087208	0	35	0.0	-27.86	331.89	6.50	-21.36
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC=CC1=CC=CC=C1	REAL300012087209	0	39	0.0	-26.92	335.53	10.31	-16.61
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN=NN1C1CC1	REAL300012087210	0	38	0.0	-30.84	335.61	6.31	-24.53
COCC1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087211	0	42	0.0	-27.73	355.61	8.12	-19.61
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012087212	0	39	0.0	-27.69	362.22	10.50	-17.19
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012087213	0	48	0.0	-30.90	400.18	8.89	-22.01
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012087214	0	43	0.0	-29.69	360.69	8.30	-21.39
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(CCO)N=C1	REAL300012087215	0	39	0.0	-31.66	343.57	3.55	-28.11
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012087216	0	41	0.0	-31.20	369.68	10.42	-20.78
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012087217	0	41	0.0	-32.97	361.60	6.38	-26.59
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1OC	REAL300012087218	0	43	0.0	-28.91	374.46	7.61	-21.30
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC=CC1=CC=NC=C1	REAL300012087219	0	38	0.0	-33.60	333.86	7.78	-25.82
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012087220	0	42	0.0	-33.89	369.92	6.20	-27.69
C=CC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012087221	0	39	0.0	-29.19	340.24	9.38	-19.81
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012087222	0	49	0.0	-27.83	405.41	11.40	-16.43
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087223	0	41	0.0	-34.26	349.62	9.82	-24.44
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC=C1OCCO	REAL300012087224	0	47	0.0	-35.10	401.10	5.33	-29.77
CCN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2CC2)=N1	REAL300012087225	0	45	0.0	-27.81	380.03	9.82	-17.99
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1OCCO	REAL300012087226	0	47	0.0	-34.41	401.10	5.33	-29.08
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012087227	0	45	0.0	-30.04	394.04	7.20	-22.84
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087228	0	43	0.0	-25.67	345.40	8.60	-17.07
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012087229	0	40	0.0	-32.29	348.81	8.73	-23.56
CC1=CC2=CC=CC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=C2O1	REAL300012087230	0	41	0.0	-29.05	353.73	10.15	-18.90
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012087231	0	38	0.0	-37.70	340.78	9.30	-28.40
COC1=CSC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1OC	REAL300012087232	0	40	0.0	-27.15	358.59	7.09	-20.06
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CON=C1C1CCC1	REAL300012087233	0	41	0.0	-28.38	350.51	9.12	-19.26
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])SC=C1	REAL300012087234	0	38	0.0	-26.23	346.65	5.62	-20.61
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087235	0	38	0.0	-33.61	349.64	4.63	-28.98
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012087236	0	38	0.0	-29.52	348.79	10.04	-19.48
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1F	REAL300012087237	0	45	0.0	-31.35	384.63	9.22	-22.13
CCN1C=C(Cl)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012087238	1	38	0.0	-24.58	345.48	8.06	-16.52
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012087239	0	35	0.0	-23.98	332.40	9.64	-14.34
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012087240	0	38	0.0	-28.20	338.00	9.91	-18.29
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012087241	0	41	0.0	-29.12	355.02	11.26	-17.86
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087242	0	38	0.0	-32.34	356.74	5.60	-26.74
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CSC(Cl)=C1	REAL300012087243	0	32	0.0	-28.22	314.83	7.81	-20.41
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=NN1C1CCC1	REAL300012087244	0	45	0.0	-24.29	371.30	9.47	-14.82
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012087245	0	42	0.0	-32.50	384.70	10.02	-22.48
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087246	0	48	0.0	-27.40	393.09	9.24	-18.16
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012087247	0	38	0.0	-30.71	338.70	7.04	-23.67
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087248	0	45	0.0	-31.84	387.66	8.87	-22.97
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012087249	0	38	0.0	-37.85	350.66	9.76	-28.09
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012087250	0	34	0.0	-29.08	323.65	6.90	-22.18
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012087251	0	42	0.0	-32.90	374.37	9.57	-23.33
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087252	0	42	0.0	-27.90	360.81	6.30	-21.60
COC1=NC(C)=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=C1Cl	REAL300012087253	0	44	0.0	-24.80	377.09	7.17	-17.63
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087254	0	44	0.0	-31.03	380.72	9.37	-21.66
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012087255	0	42	0.0	-24.13	354.05	8.72	-15.41
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012087256	0	38	0.0	-26.66	340.75	7.90	-18.76
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012087257	0	39	0.0	-27.63	351.74	8.48	-19.15
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087258	0	51	0.0	-28.70	413.44	9.91	-18.79
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012087259	0	46	0.0	-26.95	381.25	7.69	-19.26
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087260	0	49	0.0	-29.53	402.81	7.38	-22.15
CC1=CN(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012087261	0	38	0.0	-23.22	327.40	8.01	-15.21
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012087262	0	45	0.0	-23.70	371.59	9.39	-14.31
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087263	0	37	0.0	-32.59	350.26	3.01	-29.58
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012087264	0	34	0.0	-21.51	328.64	8.03	-13.48
CC1=NSC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087265	0	34	0.0	-29.86	311.14	6.43	-23.43
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087266	0	48	0.0	-28.35	393.14	9.27	-19.08
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012087267	0	38	0.0	-33.78	332.79	9.27	-24.51
COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1Br	REAL300012087268	0	39	0.0	-25.96	352.69	8.14	-17.82
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012087269	0	38	0.0	-32.88	330.76	7.71	-25.17
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012087270	0	35	0.0	-24.00	332.84	9.65	-14.35
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087271	0	38	0.0	-27.86	329.24	8.92	-18.94
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])=C2)C=N1	REAL300012087272	0	45	0.0	-30.68	384.63	10.29	-20.39
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012087273	0	45	0.0	-33.83	391.06	11.41	-22.42
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087274	0	38	0.0	-28.94	343.93	9.49	-19.45
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087275	0	40	0.0	-30.66	358.82	8.09	-22.57
COC1=NC2=CC=C(C[NH2+]C(CC3=CC=C(Cl)C=N3)C(=O)[O-])C=C2S1	REAL300012087276	0	41	0.0	-28.28	370.23	6.86	-21.42
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012087277	0	34	0.0	-33.28	324.15	6.98	-26.30
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012087278	0	35	0.0	-21.55	337.95	10.00	-11.55
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087279	0	37	0.0	-27.76	329.34	8.18	-19.58
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087280	0	51	0.0	-26.73	416.29	11.34	-15.39
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087281	0	39	0.0	-30.18	355.37	8.10	-22.08
COC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CC(F)=C1F	REAL300012087282	0	39	0.0	-34.76	348.99	7.64	-27.12
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087283	0	41	0.0	-28.32	353.05	6.45	-21.87
CC(C)N1C=NC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087284	0	41	0.0	-33.13	351.31	8.80	-24.33
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087285	0	42	0.0	-33.03	366.61	6.64	-26.39
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2CC2)=NO1	REAL300012087286	0	41	0.0	-30.91	358.39	8.69	-22.22
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1C	REAL300012087287	0	45	0.0	-31.96	389.69	7.95	-24.01
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])O1	REAL300012087288	0	42	0.0	-23.65	360.41	9.23	-14.42
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087289	0	41	0.0	-26.93	363.36	9.95	-16.98
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012087290	0	38	0.0	-27.49	346.22	7.25	-20.24
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087291	0	36	0.0	-33.99	335.06	8.70	-25.29
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012087292	0	51	0.0	-27.96	409.64	12.06	-15.90
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087293	0	43	0.0	-31.25	367.21	8.90	-22.35
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])SC(Br)=C1	REAL300012087294	0	35	0.0	-28.18	337.40	8.61	-19.57
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087295	0	45	0.0	-29.23	376.95	8.65	-20.58
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=NN1CC(F)F	REAL300012087296	0	41	0.0	-32.06	363.26	7.69	-24.37
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012087297	0	43	0.0	-33.27	378.31	8.63	-24.64
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087298	0	44	0.0	-28.65	389.36	8.48	-20.17
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087299	0	42	0.0	-31.28	372.44	7.55	-23.73
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012087300	0	48	0.0	-26.14	407.30	13.46	-12.68
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012087301	0	51	0.0	-34.06	428.78	9.54	-24.52
COC1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=N1	REAL300012087302	0	41	0.0	-26.64	344.62	6.24	-20.40
CCN(C)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C)=C1	REAL300012087303	0	49	0.0	-27.28	395.92	10.22	-17.06
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012087304	0	32	0.0	-25.71	325.97	9.03	-16.68
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087305	0	56	0.0	-25.72	436.80	10.43	-15.29
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=NS1	REAL300012087306	0	34	0.0	-30.23	310.54	6.66	-23.57
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087307	0	46	0.0	-28.50	386.83	7.67	-20.83
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012087308	0	38	0.0	-31.04	337.10	9.11	-21.93
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012087309	0	38	0.0	-26.16	341.42	10.38	-15.78
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012087310	0	44	0.0	-29.16	375.24	10.71	-18.45
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC=C1CO	REAL300012087311	0	39	0.0	-29.18	333.35	5.73	-23.45
CC1=NSC(C)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087312	0	37	0.0	-29.36	331.69	7.13	-22.23
CC(C)(C)C1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=NO1	REAL300012087313	0	43	0.0	-23.13	349.23	8.96	-14.17
CC1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1C(F)(F)F	REAL300012087314	0	41	0.0	-34.99	354.01	9.90	-25.09
C=CCN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=N1	REAL300012087315	0	39	0.0	-33.04	344.95	7.48	-25.56
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012087316	0	38	0.0	-32.19	333.22	6.92	-25.27
CCC(C)C1=CC=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=C1	REAL300012087317	0	47	0.0	-24.95	384.49	11.64	-13.31
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012087318	0	40	0.0	-29.84	374.18	8.65	-21.19
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012087319	0	42	0.0	-32.80	369.01	6.92	-25.88
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087320	0	48	0.0	-34.28	408.60	10.80	-23.48
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=N1	REAL300012087321	0	40	0.0	-33.25	356.92	8.19	-25.06
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012087322	0	45	0.0	-23.55	360.18	11.40	-12.15
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087323	0	42	0.0	-26.77	364.36	10.90	-15.87
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012087324	0	38	0.0	-27.90	350.46	9.23	-18.67
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012087325	0	41	0.0	-36.25	360.16	8.16	-28.09
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012087326	0	44	0.0	-29.21	366.61	10.98	-18.23
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087327	0	53	0.0	-28.34	434.32	9.93	-18.41
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087328	0	43	0.0	-27.07	367.85	7.63	-19.44
CC1=NC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C(C)S1	REAL300012087329	0	37	0.0	-28.63	331.27	7.46	-21.17
O=C([O-])C(CC1=CC=C(Cl)C=N1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012087330	0	48	0.0	-30.53	394.58	5.22	-25.31
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087331	0	47	0.0	-28.50	397.28	6.93	-21.57
CCCN1N=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1C	REAL300012087332	0	44	0.0	-31.40	371.65	8.07	-23.33
CC1=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012087333	0	43	0.0	-31.94	364.88	9.37	-22.57
CC1=CC(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012087334	0	44	0.0	-30.00	377.95	10.38	-19.62
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])=C1	REAL300012087335	0	42	0.0	-31.34	368.22	8.31	-23.03
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CC=C(Cl)C=N1)C(=O)[O-]	REAL300012087336	0	44	0.0	-25.57	353.09	8.48	-17.09
CN1C=C(C[NH2+]C(CC2=CC=C(Cl)C=N2)C(=O)[O-])C(C2CCC2)=N1	REAL300012087337	0	45	0.0	-29.44	380.29	8.69	-20.75
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC=CN=C4C=C3)C2=N1	REAL300012087339	1	42	0.0	-79.51	340.10	8.87	-70.64
CC(C)(C)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087340	1	49	0.0	-71.49	375.31	10.80	-60.69
O=C([O-])C1=CN2CCCC([NH2+]CC3=CNN=C3C3=CC=CC=C3)C2=N1	REAL300012087341	1	44	0.0	-65.37	355.53	8.31	-57.06
N#CCCN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2=CC=CC=C2)=N1	REAL300012087344	1	51	0.0	-70.20	420.64	11.01	-59.19
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1OC(F)F	REAL300012087345	1	45	0.0	-78.73	367.49	7.98	-70.75
CCOC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1OC	REAL300012087346	1	48	0.0	-75.20	379.59	8.62	-66.58
CCCCCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087348	1	53	0.0	-73.87	414.83	11.09	-62.78
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1Br	REAL300012087351	1	41	0.0	-71.80	348.91	8.46	-63.34
CCCCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OC	REAL300012087353	1	54	0.0	-74.87	422.58	10.20	-64.67
CCCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OC	REAL300012087354	1	51	0.0	-74.84	401.08	9.42	-65.42
C=CCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OC	REAL300012087355	1	49	0.0	-75.20	392.49	9.20	-66.00
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)S3)C2=N1	REAL300012087358	0	44	0.0	-75.57	383.66	11.78	-63.79
CCC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C2=CC=CC=C2O1	REAL300012087360	1	46	0.0	-69.46	368.74	10.41	-59.05
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(SC(F)(F)F)C=C3)C2=N1	REAL300012087364	1	41	0.0	-76.56	355.51	9.95	-66.61
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OC(F)(F)F)C=C3)C2=N1	REAL300012087367	1	41	0.0	-75.91	345.11	8.28	-67.63
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=C([N+](=O)[O-])C=C4)S3)C2=N1	REAL300012087368	0	46	0.0	-81.08	395.12	11.93	-69.15
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=CC=C4[N+](=O)[O-])S3)C2=N1	REAL300012087369	1	46	0.0	-88.35	395.67	11.97	-76.38
O=C([O-])C1=CN2CCCC([NH2+]CC3=CNN=C3C3=CC=C(F)C=C3)C2=N1	REAL300012087370	1	44	0.0	-76.51	361.73	8.40	-68.11
CC1=CC=C(C2=NNC=C2C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087371	1	47	0.0	-74.24	376.71	9.01	-65.23
O=C([O-])C1=CN2CCCC([NH2+]CC3=CNN=C3C3=CC=CS3)C2=N1	REAL300012087372	1	41	0.0	-63.87	342.74	7.61	-56.26
COC1=CC=C(C2=NNC=C2C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087373	1	48	0.0	-72.97	384.78	7.63	-65.34
O=C([O-])C1=CN2CCCC([NH2+]CC3=CSC4=CC=CC=C34)C2=N1	REAL300012087374	0	40	0.0	-72.10	335.99	9.86	-62.24
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC=CC=C4OC3)C2=N1	REAL300012087376	1	43	0.0	-73.67	345.02	8.99	-64.68
CC1=CC=C(C2=NNC=C2C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)O1	REAL300012087378	1	44	0.0	-65.27	360.12	7.58	-57.69
O=C([O-])C1=CN2CCCC([NH2+]CC3=CNN=C3C3=CC=CN=C3)C2=N1	REAL300012087379	1	43	0.0	-79.18	350.12	6.55	-72.63
O=C([O-])C1=CN2CCCC([NH2+]CC3=CNN=C3C3=CC=C4OCCOC4=C3)C2=N1	REAL300012087380	1	50	0.0	-67.90	400.03	7.47	-60.43
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OCC4CCCO4)C=C3)C2=N1	REAL300012087381	1	52	0.0	-73.91	407.44	9.09	-64.82
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(Cl)S3)C2=N1	REAL300012087382	1	34	0.0	-75.02	306.31	8.21	-66.81
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=C(F)C=C4)S3)C2=N1	REAL300012087383	0	44	0.0	-76.09	373.34	11.33	-64.76
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC4=CC=CN=C43)C2=N1	REAL300012087384	0	42	0.0	-63.87	338.93	9.00	-54.87
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(N4C=CC=N4)C=C3)C2=N1	REAL300012087387	1	44	0.0	-81.50	357.34	9.71	-71.79
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(N4C=NC=N4)C=C3)C2=N1	REAL300012087388	1	43	0.0	-83.76	352.27	11.03	-72.73
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=CC=C4Cl)S3)C2=N1	REAL300012087390	0	44	0.0	-72.79	383.81	11.77	-61.02
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=CC=C4F)S3)C2=N1	REAL300012087391	1	44	0.0	-73.18	376.25	11.43	-61.75
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(F)C(Cl)=C3)C2=N1	REAL300012087395	1	37	0.0	-73.57	321.58	9.06	-64.51
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(F)C(C(F)(F)F)=C3)C2=N1	REAL300012087396	1	40	0.0	-82.53	343.30	9.55	-72.98
CCOC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087397	1	44	0.0	-70.13	350.34	8.73	-61.40
CC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1F	REAL300012087398	1	40	0.0	-77.20	325.70	9.21	-67.99
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(F)C=C3C(F)(F)F)C2=N1	REAL300012087400	1	40	0.0	-83.35	334.14	9.62	-73.73
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(F)=CC(C(F)(F)F)=C3)C2=N1	REAL300012087402	1	40	0.0	-75.65	344.45	9.58	-66.07
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC=CC=C4S3)C2=N1	REAL300012087405	0	40	0.0	-75.63	336.43	10.03	-65.60
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(Cl)C(F)=C3)C2=N1	REAL300012087406	1	37	0.0	-73.69	321.58	9.07	-64.62
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=CC(Cl)=C4)S3)C2=N1	REAL300012087408	0	44	0.0	-77.53	383.67	11.77	-65.76
O=C([O-])C1=CN2CCCC([NH2+]CC3=CNN=C3C3=CC=C4OCOC4=C3)C2=N1	REAL300012087409	1	47	0.0	-67.76	381.61	6.99	-60.77
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1OCC(F)(F)F	REAL300012087411	1	48	0.0	-76.70	399.16	9.08	-67.62
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OCC4=CC=NC=C4)C=C3)C2=N1	REAL300012087412	1	50	0.0	-78.04	405.13	10.01	-68.03
CC(C)C1=NN(C)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087413	1	46	0.0	-70.98	364.25	8.13	-62.85
COCCOC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087415	1	48	0.0	-70.75	383.97	8.00	-62.75
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1Cl	REAL300012087416	1	41	0.0	-72.11	344.51	8.35	-63.76
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=N1	REAL300012087419	1	53	0.0	-85.65	417.09	8.43	-77.22
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(OCC(F)(F)F)=C3)C2=N1	REAL300012087420	1	44	0.0	-71.85	369.91	9.19	-62.66
CCCOC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087424	1	47	0.0	-70.01	371.84	9.53	-60.48
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(C4=CC=CC=C4)=CS3)C2=N1	REAL300012087425	0	44	0.0	-73.65	365.09	11.06	-62.59
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(OC4CCCC4)=C3)C2=N1	REAL300012087426	1	51	0.0	-69.67	393.08	10.70	-58.97
CC(C)OC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087427	1	47	0.0	-70.10	368.26	9.35	-60.75
CN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012087428	1	50	0.0	-64.73	407.82	10.50	-54.23
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(OCC4=CC=CC=C4F)=C3)C2=N1	REAL300012087431	1	51	0.0	-72.88	413.97	11.95	-60.93
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=CC(F)=C4)S3)C2=N1	REAL300012087436	0	44	0.0	-78.73	373.34	11.33	-67.40
CC1=CC=C(C2=CC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)S2)C=C1	REAL300012087439	0	47	0.0	-75.19	388.34	11.94	-63.25
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OC4=CC(F)=CC(F)=C4)C=C3)C2=N1	REAL300012087444	1	48	0.0	-74.95	400.53	11.49	-63.46
CCOC1=C(OC)C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OC	REAL300012087445	1	52	0.0	-77.52	412.75	8.56	-68.96
COCCCOC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087446	1	51	0.0	-71.37	405.51	8.60	-62.77
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CN=C1Cl	REAL300012087447	1	39	0.0	-79.43	329.48	7.74	-71.69
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1OC1=CC=CN=C1	REAL300012087450	1	50	0.0	-77.50	404.29	10.38	-67.12
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)S2)C=C1	REAL300012087452	1	46	0.0	-73.99	385.52	10.18	-63.81
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)C2=N1	REAL300012087453	1	42	0.0	-66.84	355.56	9.51	-57.33
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(F)C4=CC=CN=C34)C2=N1	REAL300012087454	1	42	0.0	-65.61	344.47	9.05	-56.56
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(F)=CC4=CC=CN=C43)C2=N1	REAL300012087455	1	42	0.0	-67.87	345.26	9.07	-58.80
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(Cl)C4=CC=CN=C34)C2=N1	REAL300012087456	1	42	0.0	-65.01	353.31	9.43	-55.58
COC1=CC=C2OC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=CC2=C1	REAL300012087461	1	44	0.0	-78.37	356.44	8.29	-70.08
O=C([O-])C1=CN2CCCC([NH2+]CC=CC3=CC=C(Cl)C=C3)C2=N1	REAL300012087462	0	41	0.0	-76.99	346.86	10.30	-66.69
CC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C2=CC=CC=C2O1	REAL300012087463	1	43	0.0	-70.10	347.93	9.66	-60.44
O=C([O-])C1=CN2CCCC([NH2+]CC3=COC4=CC=CC=C34)C2=N1	REAL300012087464	1	40	0.0	-71.42	326.96	8.86	-62.56
CC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1Br	REAL300012087466	1	40	0.0	-75.60	338.47	9.69	-65.91
O=C([O-])C1=CN2CCCC([NH2+]CC=CC3=CC=C(F)C=C3F)C2=N1	REAL300012087467	0	41	0.0	-84.31	341.94	9.90	-74.41
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1Br	REAL300012087468	1	40	0.0	-73.39	338.48	9.69	-63.70
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=C(F)C=CC=C4N3)C2=N1	REAL300012087472	1	41	0.0	-80.59	337.43	8.50	-72.09
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC=C(F)C=C4N3)C2=N1	REAL300012087473	1	41	0.0	-75.77	337.33	8.49	-67.28
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC2=CC=CN=C12	REAL300012087475	1	45	0.0	-74.95	360.23	9.70	-65.25
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1Cl	REAL300012087476	1	40	0.0	-73.46	334.45	9.60	-63.86
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=C4C=CSC4=C3)C2=N1	REAL300012087477	1	39	0.0	-75.79	330.85	7.98	-67.81
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087479	1	57	0.0	-63.85	423.02	11.62	-52.23
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087480	1	57	0.0	-69.61	441.52	11.59	-58.02
CCCC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087481	1	46	0.0	-70.97	363.37	10.72	-60.25
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087482	1	55	0.0	-74.26	433.93	13.25	-61.01
CCN(CC)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1F	REAL300012087483	1	51	0.0	-78.77	399.06	9.62	-69.15
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C(SC)C=C1OC	REAL300012087484	1	49	0.0	-68.04	393.45	8.60	-59.44
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1C#N	REAL300012087487	1	42	0.0	-76.74	348.70	8.21	-68.53
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(SC(F)F)C=C3)C2=N1	REAL300012087488	1	41	0.0	-73.17	348.80	9.77	-63.40
CC1=CC(Cl)=CC(C)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087489	1	43	0.0	-71.02	348.00	10.12	-60.90
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OC(F)F)C(F)=C3)C2=N1	REAL300012087490	1	41	0.0	-76.60	344.47	8.15	-68.45
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087492	1	43	0.0	-74.06	352.59	10.11	-63.95
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC(Cl)=C1OC	REAL300012087493	1	45	0.0	-80.16	377.69	8.34	-71.82
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OCC(C)C	REAL300012087494	1	54	0.0	-74.85	421.19	10.10	-64.75
CCCOC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1OC	REAL300012087495	1	51	0.0	-74.91	401.08	9.42	-65.49
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(Br)S3)C2=N1	REAL300012087496	1	34	0.0	-75.11	310.94	8.32	-66.79
CCOC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC(Cl)=C1OC	REAL300012087497	1	48	0.0	-80.10	399.54	9.27	-70.83
C=CCOC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087498	1	45	0.0	-70.18	363.24	9.32	-60.86
CCOC1=C(Cl)C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OC	REAL300012087500	1	48	0.0	-80.05	399.54	9.30	-70.75
CCCCOC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1OC	REAL300012087502	1	54	0.0	-75.04	422.58	10.20	-64.84
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OC(F)F	REAL300012087503	1	45	0.0	-71.11	367.49	7.99	-63.12
CCOC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1OC(F)F	REAL300012087504	1	48	0.0	-78.61	389.34	8.90	-69.71
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC(C)=C1OC(F)F	REAL300012087505	1	47	0.0	-75.75	376.31	9.49	-66.26
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC2=C1OCCO2	REAL300012087507	1	47	0.0	-75.75	372.68	7.53	-68.22
CC1=CC(C)=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1C	REAL300012087512	0	46	0.0	-70.67	352.30	10.31	-60.36
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=CC=C4)S3)C2=N1	REAL300012087513	0	44	0.0	-75.18	366.94	11.26	-63.92
CCCOC1=C(Cl)C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OC	REAL300012087514	1	51	0.0	-80.06	421.05	10.09	-69.97
CC(C)(C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12)C1=CC=CC=C1	REAL300012087516	0	46	0.0	-74.52	347.16	10.20	-64.32
CN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2CCCCC2)=N1	REAL300012087517	1	53	0.0	-71.63	405.93	10.02	-61.61
CC(CCC1=CC=CC=C1)C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087518	0	49	0.0	-76.77	378.11	11.36	-65.41
CCC1CCCC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C1	REAL300012087519	0	49	0.0	-76.88	350.85	9.92	-66.96
CC1=C(C)C=C2OC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=CC2=C1	REAL300012087522	1	46	0.0	-78.36	365.27	10.20	-68.16
CCCC1CCC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)CC1	REAL300012087523	0	52	0.0	-72.44	373.53	10.58	-61.86
O=C([O-])C1=CN2CCCC([NH2+]CC3=CNN=C3C3=CC=C(Cl)C=C3)C2=N1	REAL300012087524	1	44	0.0	-75.04	372.03	8.85	-66.19
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(N4C=CN=C4)C=C3)C2=N1	REAL300012087525	1	44	0.0	-79.03	355.07	10.87	-68.16
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(Cl)=C4OCCOC4=C3)C2=N1	REAL300012087527	1	43	0.0	-76.00	359.45	8.20	-67.80
CCCCC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C2=CC=CC=C2O1	REAL300012087528	1	52	0.0	-73.00	407.09	12.00	-61.00
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(N4C=NC5=CC=CC=C54)C=C3)C2=N1	REAL300012087529	1	50	0.0	-81.54	405.99	13.15	-68.39
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087530	1	50	0.0	-76.25	401.71	10.67	-65.58
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(Cl)=C4OCCCOC4=C3)C2=N1	REAL300012087531	1	46	0.0	-78.77	377.86	9.00	-69.77
COC1=CC=C(C)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087532	1	44	0.0	-65.80	348.54	8.51	-57.29
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1F	REAL300012087533	1	41	0.0	-73.45	334.71	7.88	-65.57
O=C([O-])C1=CN2CCCC([NH2+]CC3CCC(C(F)(F)F)CC3)C2=N1	REAL300012087534	0	46	0.0	-74.77	350.35	9.51	-65.26
CC(C)C1CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)CCO1	REAL300012087535	0	50	0.0	-72.96	362.21	8.37	-64.59
CC1(C)CCC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)CC1	REAL300012087536	0	49	0.0	-72.77	354.07	9.70	-63.07
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OCC(F)(F)F)C(F)=C3)C2=N1	REAL300012087537	1	44	0.0	-75.42	376.14	9.27	-66.15
CCSC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087540	1	44	0.0	-69.53	360.66	10.36	-59.17
COC1(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)CCCCC1	REAL300012087542	0	47	0.0	-69.66	341.00	7.94	-61.72
COCCC1(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)CCCCC1	REAL300012087544	0	53	0.0	-74.35	377.37	8.71	-65.64
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(Br)=C(Cl)S3)C2=N1	REAL300012087545	1	34	0.0	-73.81	326.82	8.78	-65.03
CCCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087546	1	47	0.0	-73.98	371.83	9.53	-64.45
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC=CC=C4O3)C2=N1	REAL300012087548	1	40	0.0	-78.22	326.97	9.01	-69.21
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1OC(C)C	REAL300012087550	1	51	0.0	-74.57	397.52	9.24	-65.33
CCCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OCC	REAL300012087551	1	54	0.0	-74.87	422.94	10.34	-64.53
CC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1[N+](=O)[O-]	REAL300012087552	1	42	0.0	-73.71	343.17	9.69	-64.02
CC(C)OC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087553	1	47	0.0	-72.16	368.26	9.35	-62.81
CCCCCCCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087554	1	59	0.0	-73.73	457.83	12.65	-61.08
CC(C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12)CC1=CC=C(C(C)(C)C)C=C1	REAL300012087555	0	58	0.0	-72.48	432.07	12.85	-59.63
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1F	REAL300012087556	1	40	0.0	-74.40	325.71	9.20	-65.20
O=C([O-])C1=CN2CCCC([NH2+]CC3=C4NC=CC4=CC=C3)C2=N1	REAL300012087557	0	41	0.0	-72.40	330.45	8.48	-63.92
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC=C3N3CCOCC3)C2=N1	REAL300012087559	1	50	0.0	-67.41	383.65	8.04	-59.37
CC(C)CC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087561	1	49	0.0	-71.33	380.09	11.19	-60.14
CC1=CC=C(C2=CC=CC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=C2)C=C1	REAL300012087562	0	50	0.0	-72.62	394.60	12.58	-60.04
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1[N+](=O)[O-]	REAL300012087564	1	43	0.0	-92.80	354.51	9.24	-83.56
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(Cl)=CC(Cl)=C3)C2=N1	REAL300012087565	1	37	0.0	-73.84	332.44	9.51	-64.33
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(F)=CC(Cl)=C3)C2=N1	REAL300012087566	1	37	0.0	-74.49	322.13	9.08	-65.41
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087568	0	50	0.0	-71.81	396.54	12.63	-59.18
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(OC(F)F)=C3)C2=N1	REAL300012087569	1	41	0.0	-74.12	338.24	8.08	-66.04
CCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OCC	REAL300012087570	1	51	0.0	-74.98	401.44	9.54	-65.44
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(Cl)C(C(F)(F)F)=C3)C2=N1	REAL300012087572	1	40	0.0	-81.54	350.88	9.91	-71.63
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(OC(F)(F)F)=C3)C2=N1	REAL300012087574	1	41	0.0	-71.90	344.98	8.30	-63.60
COC1=CC=CC=C1C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087576	1	51	0.0	-73.71	407.22	11.57	-62.14
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(F)=CC(F)=C3)C2=N1	REAL300012087577	1	37	0.0	-75.63	311.80	8.64	-66.99
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C2=CC=CC=C12	REAL300012087579	0	47	0.0	-72.27	368.37	9.97	-62.30
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=N1	REAL300012087583	1	40	0.0	-77.20	326.03	5.20	-72.00
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C4OCCC4=C3)C2=N1	REAL300012087585	1	42	0.0	-75.46	334.87	8.35	-67.11
O=C([O-])C1=CN2CCCC([NH2+]CC3=CSC(Br)=C3)C2=N1	REAL300012087586	1	34	0.0	-70.58	310.64	8.18	-62.40
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(C4=CC=CC=C4)=C3)C2=N1	REAL300012087587	0	47	0.0	-72.58	373.20	11.91	-60.67
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(N4CCCC4)N=C3)C2=N1	REAL300012087589	1	48	0.0	-77.50	372.91	8.41	-69.09
O=C([O-])C1=CN2CCCC([NH2+]CC3=C4C=CNC4=CC=C3)C2=N1	REAL300012087590	0	41	0.0	-70.55	330.27	8.50	-62.05
CC1=CC(F)=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087591	1	40	0.0	-73.24	320.28	9.18	-64.06
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(Br)C(F)=C3)C2=N1	REAL300012087592	1	37	0.0	-73.69	325.99	9.17	-64.52
CC1=NC(C)=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)S1	REAL300012087593	1	39	0.0	-72.48	324.85	6.95	-65.53
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(C4=CC=CC=N4)=C3)C2=N1	REAL300012087594	1	46	0.0	-79.51	370.64	10.39	-69.12
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)C2=N1	REAL300012087595	0	46	0.0	-73.43	368.21	10.14	-63.29
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)C2=N1	REAL300012087596	0	46	0.0	-75.39	368.40	10.16	-65.23
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087597	1	52	0.0	-75.65	392.55	9.02	-66.63
C[NH+]1CCN(C2=CC=C(CNC3CCCN4C=C(C(=O)[O-])N=C34)C=C2)CC1	REAL300012087598	0	54	0.0	-86.26	410.95	8.01	-78.25
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OC4=CN=CC=N4)C=C3)C2=N1	REAL300012087599	1	46	0.0	-77.41	380.39	7.00	-70.41
CNC(=O)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087600	1	44	0.0	-84.67	355.45	6.78	-77.89
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087602	1	50	0.0	-75.83	412.02	11.12	-64.71
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OCC(F)(F)F)C=C3)C2=N1	REAL300012087604	1	44	0.0	-77.57	369.91	9.19	-68.38
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC=CC=C4C=C3)C2=N1	REAL300012087605	1	43	0.0	-73.48	345.10	10.76	-62.72
COC1=C2OC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=CC2=CC=C1	REAL300012087606	1	44	0.0	-82.37	356.47	8.29	-74.08
CC(C)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1[N+](=O)[O-]	REAL300012087607	1	48	0.0	-73.89	384.15	11.01	-62.88
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(Br)=C4OCOC4=C3)C2=N1	REAL300012087608	1	40	0.0	-77.83	346.46	7.76	-70.07
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087609	1	53	0.0	-70.78	421.16	11.11	-59.67
CCOC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1OCC(C)C	REAL300012087610	1	57	0.0	-74.57	443.04	11.02	-63.55
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC(OC)=C1	REAL300012087613	1	45	0.0	-74.21	357.98	7.11	-67.10
COC1=CC2=CC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C=C2C=C1	REAL300012087614	1	47	0.0	-74.19	374.44	10.05	-64.14
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(Br)=CS3)C2=N1	REAL300012087616	1	34	0.0	-71.13	310.73	8.21	-62.92
CCCCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OCC	REAL300012087617	1	57	0.0	-74.84	444.44	11.12	-63.72
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087618	1	50	0.0	-78.00	396.72	10.62	-67.38
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC=CC=C4NC3=O)C2=N1	REAL300012087621	1	43	0.0	-86.30	349.40	7.53	-78.77
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(F)C(Br)=C3)C2=N1	REAL300012087623	1	37	0.0	-73.26	325.99	9.16	-64.10
CC1=CC=C(COC2=CC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C=C2)C=C1	REAL300012087624	1	54	0.0	-73.71	431.66	12.47	-61.24
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(N4CCCCC4)C=C3)C2=N1	REAL300012087625	0	52	0.0	-72.47	391.92	9.79	-62.68
CCCCCCOC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087626	1	56	0.0	-69.81	436.34	11.87	-57.94
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1SC	REAL300012087627	1	45	0.0	-74.82	367.90	8.85	-65.97
N#CCCCOC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087628	1	48	0.0	-76.95	392.69	10.05	-66.90
CCCCCOC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1OC	REAL300012087629	1	57	0.0	-75.04	444.08	10.98	-64.06
CCC(C)OC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1OC	REAL300012087630	1	54	0.0	-74.91	418.27	10.03	-64.88
CCCCCCCOC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087631	1	59	0.0	-69.81	457.83	12.65	-57.16
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OCCCC#N	REAL300012087632	1	52	0.0	-86.47	421.94	9.94	-76.53
C=C(C)COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1OC	REAL300012087633	1	52	0.0	-75.96	411.90	9.98	-65.98
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OCCC(C)C	REAL300012087634	1	57	0.0	-75.02	440.15	10.72	-64.30
C=CCC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC(OC)=C1O	REAL300012087635	1	49	0.0	-74.65	393.85	7.66	-66.99
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(C4=CC=CC=C4)=NN3)C2=N1	REAL300012087636	1	44	0.0	-76.07	358.49	8.41	-67.66
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(N4CCOCC4)C(F)=C3)C2=N1	REAL300012087641	1	50	0.0	-73.05	386.18	7.32	-65.73
CN1C=NC2=CC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=CC=C21	REAL300012087642	1	43	0.0	-73.06	347.37	9.85	-63.21
CCN1N=C(C)C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1C	REAL300012087643	1	46	0.0	-75.95	362.68	8.15	-67.80
C=CCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1Cl	REAL300012087644	1	45	0.0	-72.21	379.27	9.86	-62.35
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=C(C4=CC=CC=C4)S3)C2=N1	REAL300012087645	1	43	0.0	-74.04	364.12	9.50	-64.54
CC1(C)CC2=CC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=CC=C2O1	REAL300012087647	1	48	0.0	-73.35	376.40	9.75	-63.60
CC1=CC=CC(C2=NNC=C2C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087650	1	47	0.0	-65.17	376.93	9.00	-56.17
CC1=CC=C(F)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087652	1	40	0.0	-76.14	320.29	9.18	-66.96
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(Cl)=CC(C(F)(F)F)=C3)C2=N1	REAL300012087653	1	40	0.0	-74.61	354.77	10.02	-64.59
CC(C)COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087656	1	50	0.0	-73.81	391.94	10.23	-63.58
COCCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087657	1	48	0.0	-77.19	383.96	8.00	-69.19
CC1(C)CCCC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C1	REAL300012087658	0	49	0.0	-73.12	353.97	9.72	-63.40
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OC(F)F)C(Cl)=C3)C2=N1	REAL300012087659	1	41	0.0	-75.45	354.27	8.63	-66.82
CC1=CCCC(C)C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087662	0	47	0.0	-76.12	339.37	9.53	-66.59
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=CC4=CC=CC=C43)C2=N1	REAL300012087664	1	42	0.0	-75.14	335.53	8.84	-66.30
CC(C)COC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087665	1	50	0.0	-69.84	391.94	10.22	-59.62
CC1=CC(Cl)=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087666	1	40	0.0	-72.44	330.60	9.61	-62.83
O=C([O-])C1=CN2CCCC([NH2+]CC=CC3=CC=C(F)C=C3)C2=N1	REAL300012087667	0	41	0.0	-77.59	336.55	9.85	-67.74
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(Cl)N=C3)C2=N1	REAL300012087668	1	36	0.0	-79.60	310.69	7.14	-72.46
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=CC(Br)=C3)C2=N1	REAL300012087669	1	36	0.0	-74.42	315.15	7.32	-67.10
CN1N=NC2=CC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=CC=C21	REAL300012087670	1	42	0.0	-75.44	342.97	6.95	-68.49
CC1(C)CC2=CC=CC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=C2O1	REAL300012087671	1	48	0.0	-65.06	376.31	9.72	-55.34
CN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2=CC=CC=C2)=N1	REAL300012087674	1	47	0.0	-65.09	378.26	9.64	-55.45
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(N4C=CC=N4)=C3)C2=N1	REAL300012087675	0	44	0.0	-69.93	357.40	9.70	-60.23
CC1=C(Br)SC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087677	1	37	0.0	-75.28	330.58	8.91	-66.37
CC1=NC2=CC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C=C2C=C1	REAL300012087678	1	45	0.0	-75.19	361.68	9.48	-65.71
COC1=CC=C(OC2=CC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C=C2)C=C1	REAL300012087679	1	52	0.0	-74.85	417.18	10.64	-64.21
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C=C2)=C1	REAL300012087681	1	53	0.0	-74.03	416.01	13.24	-60.79
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1N1C=NC=N1	REAL300012087682	1	46	0.0	-76.69	367.91	11.95	-64.74
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC(F)=CC=C4O3)C2=N1	REAL300012087683	1	40	0.0	-78.25	333.38	9.08	-69.17
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OCC(F)F)C=C3)C2=N1	REAL300012087684	1	44	0.0	-80.16	363.35	9.05	-71.11
COCC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087685	1	44	0.0	-70.51	354.05	8.22	-62.29
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(OCC4=CC=C(F)C=C4)=C3)C2=N1	REAL300012087687	1	51	0.0	-72.19	416.67	11.85	-60.34
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(SC4=CC=CC=C4)C=C3)C2=N1	REAL300012087689	1	48	0.0	-75.04	399.59	12.60	-62.44
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C(OC(F)F)C=C1C	REAL300012087690	1	47	0.0	-68.82	375.38	9.32	-59.50
COC1=CC(C)=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OC	REAL300012087691	1	48	0.0	-76.33	373.17	8.21	-68.12
O=C([O-])C1=CN2CCCC([NH2+]CC3=CNN=C3C3=CSC=C3)C2=N1	REAL300012087695	1	41	0.0	-65.41	346.05	7.32	-58.09
CSC1=CC(Br)=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087696	1	41	0.0	-64.92	356.00	10.02	-54.90
CC(C)(C)C1CCC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)CC1	REAL300012087699	0	55	0.0	-72.56	388.78	10.82	-61.74
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087701	1	51	0.0	-68.95	401.29	11.25	-57.70
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087702	1	50	0.0	-70.94	396.50	9.50	-61.44
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OCC4CC4)C=C3)C2=N1	REAL300012087703	1	48	0.0	-74.37	382.02	10.31	-64.06
CC(C)CC1=NC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)S1	REAL300012087705	1	45	0.0	-71.87	366.94	8.66	-63.21
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=C(C4=CC=CS4)S3)C2=N1	REAL300012087706	1	40	0.0	-74.96	355.99	8.58	-66.38
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=C(C4=CSC=C4)S3)C2=N1	REAL300012087707	1	40	0.0	-73.58	355.20	8.45	-65.13
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)S2)O1	REAL300012087708	1	43	0.0	-77.13	368.75	8.41	-68.72
CC1=CC(Br)=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087709	1	40	0.0	-72.42	335.17	9.73	-62.69
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(Cl)C(Br)=C3)C2=N1	REAL300012087710	1	37	0.0	-72.49	335.11	9.57	-62.92
O=C([O-])C1=CN2CCCC([NH2+]CC3=CNN=C3C3=CC=CC=C3F)C2=N1	REAL300012087711	1	44	0.0	-67.82	361.93	8.42	-59.40
CN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2=CC=CS2)=N1	REAL300012087718	1	44	0.0	-64.04	365.79	8.93	-55.11
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087722	1	41	0.0	-72.96	328.62	7.78	-65.18
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C4OCCOC4=C3)C2=N1	REAL300012087725	1	43	0.0	-73.62	343.60	7.64	-65.98
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(Br)=C3)C2=N1	REAL300012087726	1	37	0.0	-70.08	320.28	9.12	-60.96
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(Cl)=C3)C2=N1	REAL300012087727	1	37	0.0	-70.25	315.71	9.01	-61.24
CC(=O)NC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087731	1	44	0.0	-83.96	355.34	7.39	-76.57
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC([N+](=O)[O-])=C3)C2=N1	REAL300012087733	1	39	0.0	-74.50	327.20	9.18	-65.32
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C([N+](=O)[O-])C=C3)C2=N1	REAL300012087734	1	39	0.0	-82.09	327.20	9.17	-72.92
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC4=CC=CC=C43)C2=N1	REAL300012087735	0	43	0.0	-70.36	340.07	10.62	-59.74
CN(C)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087736	0	45	0.0	-71.73	350.62	8.89	-62.84
CCN(CC)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087737	0	51	0.0	-70.87	394.10	10.81	-60.06
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(Br)C=C3)C2=N1	REAL300012087738	1	37	0.0	-73.63	320.27	9.13	-64.50
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(Cl)C=C3)C2=N1	REAL300012087739	1	37	0.0	-73.62	315.71	9.02	-64.60
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC(OC)=C1OC	REAL300012087740	1	49	0.0	-77.62	390.90	7.62	-70.00
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(N4CCOCC4)C=C3)C2=N1	REAL300012087745	0	50	0.0	-73.49	382.99	7.34	-66.15
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OC	REAL300012087746	1	45	0.0	-75.20	357.73	7.70	-67.50
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C(F)(F)F)C=C3)C2=N1	REAL300012087748	1	40	0.0	-75.49	337.72	9.50	-65.99
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(Cl)C(Cl)=C3)C2=N1	REAL300012087751	1	37	0.0	-72.75	330.90	9.47	-63.28
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OC(F)F)C=C3)C2=N1	REAL300012087752	1	41	0.0	-73.68	338.23	8.08	-65.60
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC=C3C(F)(F)F)C2=N1	REAL300012087753	1	40	0.0	-80.62	327.79	9.54	-71.08
CCCCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087754	1	50	0.0	-73.96	393.33	10.31	-63.65
CC(C)CCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087755	1	53	0.0	-73.93	410.91	10.83	-63.10
CCCCCCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087756	1	56	0.0	-73.78	436.33	11.87	-61.91
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(OC4=CC=CC=C4)=C3)C2=N1	REAL300012087757	1	48	0.0	-71.07	387.68	11.35	-59.72
COC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087759	1	41	0.0	-70.43	328.49	7.80	-62.63
CC(=CC1=CC=CC=C1)C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087760	0	44	0.0	-74.99	346.13	10.23	-64.76
CCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OC	REAL300012087761	1	48	0.0	-74.99	379.58	8.62	-66.37
CC(C)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087762	1	46	0.0	-71.38	359.20	10.43	-60.95
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(C(F)(F)F)=C3)C2=N1	REAL300012087763	1	40	0.0	-71.05	338.04	9.52	-61.53
CCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087766	1	44	0.0	-74.10	350.34	8.73	-65.37
COC1=CC=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087767	1	41	0.0	-65.71	327.23	7.83	-57.88
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC(Br)=C1O	REAL300012087769	1	42	0.0	-79.91	359.65	6.28	-73.63
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=CC=C4)C=C3)C2=N1	REAL300012087770	1	47	0.0	-73.87	373.20	11.92	-61.95
COC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C2=CC=CC=C2C=C1	REAL300012087771	1	47	0.0	-69.23	369.36	9.98	-59.25
CSC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087772	1	41	0.0	-72.62	339.33	9.51	-63.11
CC1=CC(C)=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=C1	REAL300012087775	0	46	0.0	-69.20	352.70	10.28	-58.92
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(F)C(F)=C3)C2=N1	REAL300012087777	1	37	0.0	-74.80	311.69	8.62	-66.18
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(OCC4=CC=CC=C4)=C3)C2=N1	REAL300012087779	1	51	0.0	-71.07	410.25	11.78	-59.29
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1O	REAL300012087781	1	42	0.0	-72.88	339.25	5.64	-67.24
CC1=NN(C)C(C)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087782	1	43	0.0	-75.89	340.87	7.28	-68.61
CCC1=NN(C)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087784	1	43	0.0	-71.22	342.97	7.60	-63.62
CN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C(C)(C)C)=N1	REAL300012087786	1	49	0.0	-68.57	369.30	8.67	-59.90
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(N4CCCCC4)C([N+](=O)[O-])=C3)C2=N1	REAL300012087788	1	54	0.0	-90.80	421.99	11.76	-79.04
CN(CCC#N)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087789	0	49	0.0	-75.90	392.89	10.36	-65.54
O=C([O-])C1=CN2CCCC([NH2+]CC3=C(OC(F)F)C=CC4=CC=CC=C43)C2=N1	REAL300012087790	1	47	0.0	-69.66	379.10	10.24	-59.42
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OCC(N)=O	REAL300012087792	1	49	0.0	-89.00	396.32	5.66	-83.34
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC2=C1OCO2	REAL300012087794	1	44	0.0	-82.23	354.57	6.45	-75.78
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1C	REAL300012087798	1	44	0.0	-72.75	348.56	8.55	-64.20
CC(C)(C)C1=NNC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087799	1	46	0.0	-68.35	346.31	7.35	-61.00
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(I)=C3)C2=N1	REAL300012087802	1	37	0.0	-69.62	326.76	9.59	-60.03
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(I)C=C3)C2=N1	REAL300012087803	1	37	0.0	-73.35	326.76	9.60	-63.75
CSC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)S1	REAL300012087804	1	38	0.0	-73.10	332.56	8.81	-64.29
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087805	0	50	0.0	-63.31	388.66	12.33	-50.98
CS(=O)(=O)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087808	1	43	0.0	-79.93	359.68	6.03	-73.90
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)C=C3)C2=N1	REAL300012087809	1	47	0.0	-74.36	389.92	12.44	-61.92
NC(=O)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087811	1	41	0.0	-84.39	333.52	5.30	-79.09
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1F	REAL300012087812	1	41	0.0	-77.07	334.71	7.87	-69.20
COC(=O)C1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CN1C	REAL300012087814	1	44	0.0	-71.01	358.41	8.69	-62.32
CC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1Cl	REAL300012087815	1	40	0.0	-75.64	334.44	9.60	-66.04
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1C	REAL300012087816	1	44	0.0	-73.14	348.56	8.55	-64.59
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(OCC4=CC=CC=N4)=C3)C2=N1	REAL300012087819	1	50	0.0	-76.81	403.02	10.09	-66.72
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=C(N4CCOCC4)S3)C2=N1	REAL300012087821	1	46	0.0	-73.39	372.73	5.80	-67.59
C#CCCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087822	1	46	0.0	-74.27	377.62	10.05	-64.22
CC1=NN(C)C2=NC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C=C12	REAL300012087824	1	45	0.0	-77.87	365.25	8.23	-69.64
CCOCC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1OC	REAL300012087828	1	51	0.0	-69.42	402.57	8.71	-60.71
NC(=O)C1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087829	1	41	0.0	-71.94	333.53	5.27	-66.67
O=C([O-])C1=CN2CCCC([NH2+]CC3CCCCCCC3)C2=N1	REAL300012087832	0	49	0.0	-72.25	341.66	9.67	-62.58
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C4CCCC4=C3)C2=N1	REAL300012087835	1	44	0.0	-71.38	344.52	10.41	-60.97
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(F)=CC(Br)=C3)C2=N1	REAL300012087839	1	37	0.0	-74.53	326.69	9.19	-65.34
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC=NC=C4C=C3)C2=N1	REAL300012087840	1	42	0.0	-76.05	339.99	8.98	-67.07
COC1=CC(F)=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087842	1	41	0.0	-74.99	334.90	7.87	-67.12
CS(=O)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087845	1	42	0.0	-89.39	351.19	7.10	-82.29
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C4CCCCC4=C3)C2=N1	REAL300012087846	1	47	0.0	-71.43	361.68	10.99	-60.44
COC(=O)C1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CN1	REAL300012087847	1	41	0.0	-71.27	340.64	6.94	-64.33
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=C1OC	REAL300012087849	1	48	0.0	-73.52	372.89	8.36	-65.16
CC1=NC(F)=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087851	1	39	0.0	-74.52	315.39	7.22	-67.30
COC1=CC(C)=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087852	1	44	0.0	-65.58	348.55	8.51	-57.07
CS(=O)(=O)C1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087854	1	43	0.0	-81.95	359.69	6.03	-75.92
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(Cl)=CS3)C2=N1	REAL300012087855	1	34	0.0	-71.45	306.14	8.10	-63.35
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4CCCC4)C=C3)C2=N1	REAL300012087856	1	50	0.0	-71.50	382.53	11.70	-59.80
CC1=CC(Cl)=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087857	1	40	0.0	-75.20	337.12	9.67	-65.53
COCC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087858	1	44	0.0	-73.96	354.05	8.23	-65.73
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4CC4)C=C3)C2=N1	REAL300012087860	1	44	0.0	-71.94	348.33	10.59	-61.35
COC1=CC2=CC=CC=C2C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087863	1	47	0.0	-67.26	372.93	10.11	-57.15
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C(F)F)C=C3)C2=N1	REAL300012087864	1	40	0.0	-73.59	331.17	9.37	-64.22
COC1=CC(C)=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=N1	REAL300012087865	1	46	0.0	-74.75	359.26	6.28	-68.47
CCC1=CC(OC)=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087867	1	47	0.0	-71.06	362.00	9.06	-62.00
CC1=NC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)N1C1=CC=CC=C1	REAL300012087868	1	47	0.0	-70.97	374.15	10.89	-60.08
CCCN1N=C(C)C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1C	REAL300012087869	1	49	0.0	-75.79	384.18	8.89	-66.90
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4CCC4)C=C3)C2=N1	REAL300012087872	1	47	0.0	-71.45	364.87	11.07	-60.38
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC2=CC=CC=C21	REAL300012087873	1	47	0.0	-73.98	373.46	10.11	-63.87
CCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1F	REAL300012087874	1	44	0.0	-73.17	356.57	8.80	-64.37
COC1=CC=CC2=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C=CC=C12	REAL300012087875	0	47	0.0	-72.40	368.38	9.97	-62.43
N#CC1=CSC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087876	1	35	0.0	-75.37	310.30	8.01	-67.36
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1C#N	REAL300012087877	1	42	0.0	-81.35	348.69	8.22	-73.13
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087878	1	47	0.0	-71.27	371.61	10.23	-61.04
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1C#N	REAL300012087880	1	41	0.0	-78.76	338.99	9.40	-69.36
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC=C3C3CC3)C2=N1	REAL300012087884	1	44	0.0	-69.19	342.92	10.41	-58.78
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087886	1	52	0.0	-70.35	408.68	11.21	-59.14
CN1C(=O)CCC2=CC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=CC=C21	REAL300012087889	1	48	0.0	-78.11	374.87	9.39	-68.72
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=C(C4=CC=C(Cl)C=C4)S3)C2=N1	REAL300012087891	1	43	0.0	-73.94	380.84	10.02	-63.92
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=C(C4=CC=CC=C4F)S3)C2=N1	REAL300012087892	1	43	0.0	-74.76	368.58	9.74	-65.02
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087893	1	54	0.0	-69.68	423.18	11.91	-57.77
CC1=NN(C(C)C)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087895	1	46	0.0	-70.81	361.72	8.26	-62.55
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=C(C4CCCC4)S3)C2=N1	REAL300012087896	1	46	0.0	-71.88	371.00	9.12	-62.76
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=C(C4=C(F)C=CC=C4F)S3)C2=N1	REAL300012087897	1	43	0.0	-76.72	372.28	9.73	-66.99
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=C(C4CC4)S3)C2=N1	REAL300012087898	1	40	0.0	-72.40	337.01	8.12	-64.28
CC(C)C1=NC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)S1	REAL300012087899	1	42	0.0	-72.11	348.06	7.79	-64.32
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=C(C4=CC=CO4)S3)C2=N1	REAL300012087900	1	40	0.0	-76.95	346.84	7.58	-69.37
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(Br)C(Cl)=C3)C2=N1	REAL300012087901	1	37	0.0	-72.84	335.11	9.57	-63.27
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=C(CCC4=CC=CC=C4)S3)C2=N1	REAL300012087902	1	49	0.0	-73.20	408.68	11.00	-62.20
CN1C=C(C2=CC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C=C2)C=N1	REAL300012087903	1	47	0.0	-78.36	379.10	9.80	-68.56
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OC4=CC=CC(F)=C4)C=C3)C2=N1	REAL300012087905	1	48	0.0	-75.90	394.22	11.40	-64.50
CN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2=CC=C(F)C=C2)=N1	REAL300012087906	1	47	0.0	-76.40	384.70	9.69	-66.71
CN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2=CC=C(C#N)C=C2)=N1	REAL300012087907	1	48	0.0	-78.59	399.14	10.03	-68.56
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=N1	REAL300012087910	1	51	0.0	-75.24	409.58	11.81	-63.43
CCC1=NN(C)C(CC)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087911	1	49	0.0	-68.58	375.91	8.80	-59.78
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=C(C4CCC4)S3)C2=N1	REAL300012087912	1	43	0.0	-71.97	353.60	8.59	-63.38
CN1C=C(C2=CC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)S2)C=N1	REAL300012087916	1	44	0.0	-75.87	373.04	9.16	-66.71
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C4OCCCCOC4=C3)C2=N1	REAL300012087917	1	49	0.0	-79.95	378.05	9.39	-70.56
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=NN3C3=CC=C(F)C=C3)C2=N1	REAL300012087924	1	44	0.0	-73.59	353.31	9.39	-64.20
CC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2=CN(C)N=C2)=C1	REAL300012087925	0	50	0.0	-74.81	394.95	10.38	-64.43
CC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2=CC=NN2C)=C1	REAL300012087926	0	50	0.0	-62.66	392.78	9.98	-52.68
O=C([O-])C1=CN2CCCC([NH2+]CC3=C(C4CC4)N=CS3)C2=N1	REAL300012087931	1	40	0.0	-72.42	334.51	7.91	-64.51
N#CCCN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2=CC=NC=C2)=N1	REAL300012087932	1	50	0.0	-72.04	415.62	9.25	-62.79
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(Cl)C=C3N3C=NC=N3)C2=N1	REAL300012087933	1	43	0.0	-63.15	360.14	12.09	-51.06
COC(=O)C1=C(C)N(C)C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087934	1	47	0.0	-73.25	376.32	8.95	-64.30
COCCOCC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087937	1	51	0.0	-75.25	409.53	8.46	-66.79
O=C([O-])C1=CN2CCCC([NH2+]CC3=CSC=C3C(F)(F)F)C2=N1	REAL300012087939	1	37	0.0	-60.83	318.97	8.44	-52.39
CC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)SC2=C(Cl)C=CC=C12	REAL300012087940	0	43	0.0	-78.15	369.69	11.01	-67.14
O=C([O-])C1=CN2CCCC([NH2+]CC3=CNC(C(=O)OCC4=CC=CC=C4)=C3)C2=N1	REAL300012087942	1	51	0.0	-84.44	422.41	10.91	-73.53
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(C4CC4)=C3)C2=N1	REAL300012087943	1	44	0.0	-70.90	348.20	10.60	-60.30
N#CC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1F	REAL300012087944	1	38	0.0	-85.31	325.74	8.94	-76.37
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C4OC(F)(F)OC4=C3)C2=N1	REAL300012087945	1	40	0.0	-82.66	338.59	7.60	-75.06
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)O1	REAL300012087947	1	47	0.0	-65.27	383.06	8.90	-56.37
COC(=O)C1=C(C)C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CN1	REAL300012087950	1	44	0.0	-70.75	357.38	7.43	-63.32
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)S2)C=C1C	REAL300012087951	1	49	0.0	-74.13	403.14	10.73	-63.40
CC(C)(C#N)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087955	1	47	0.0	-77.28	375.60	10.46	-66.82
CC(C)C1=CC=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012087956	1	46	0.0	-69.28	353.06	10.27	-59.01
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CN=CC=C4O3)C2=N1	REAL300012087959	1	39	0.0	-80.34	321.70	7.27	-73.07
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC4=C3CCC4)C2=N1	REAL300012087965	0	44	0.0	-71.52	343.31	10.30	-61.22
CCCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=C1	REAL300012087967	1	50	0.0	-71.52	386.71	10.13	-61.39
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC=NC=C4S3)C2=N1	REAL300012087968	0	39	0.0	-78.35	331.16	8.24	-70.11
O=C([O-])C1=CN2CCCC([NH2+]CC3=C4CCCN4N=C3)C2=N1	REAL300012087969	1	41	0.0	-78.38	325.57	7.08	-71.30
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC(Br)=CC=C4O3)C2=N1	REAL300012087970	1	40	0.0	-77.81	348.26	9.62	-68.19
CCC1=C2OC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=CC2=CC=C1	REAL300012087971	1	46	0.0	-77.90	369.87	10.43	-67.47
CCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=C1	REAL300012087975	1	47	0.0	-72.28	365.77	9.26	-63.02
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(C4CCCC4)=C3)C2=N1	REAL300012087979	1	50	0.0	-71.01	383.21	11.71	-59.30
CN1C=C(C2=NN(C)C=C2C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=N1	REAL300012087980	1	47	0.0	-67.02	382.45	7.46	-59.56
COCC1=CSC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087981	1	41	0.0	-71.55	344.56	7.31	-64.24
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN=C(C4=CC=CC(Cl)=C4)S3)C2=N1	REAL300012087983	1	43	0.0	-75.21	380.80	10.02	-65.19
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OC4CCOC4)C=C3)C2=N1	REAL300012087990	1	49	0.0	-74.83	384.33	8.15	-66.68
COC(=O)C1=C2CCCCN2C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012087992	1	51	0.0	-73.61	400.73	10.22	-63.39
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC(C(F)(F)F)=C1	REAL300012087994	1	44	0.0	-74.29	367.54	8.81	-65.48
C=CCOC1=C(Cl)C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OC	REAL300012087995	1	49	0.0	-80.51	412.45	9.88	-70.63
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OC1CC1	REAL300012087996	1	49	0.0	-76.13	388.77	9.37	-66.76
COCC(C)OC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012087999	1	51	0.0	-74.19	400.56	8.71	-65.48
CCCC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)S1	REAL300012088000	0	43	0.0	-72.32	354.13	9.95	-62.37
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=CS4)C=C3)C2=N1	REAL300012088001	1	44	0.0	-74.97	366.35	11.12	-63.85
CC(C)C1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088003	1	46	0.0	-70.99	359.20	10.42	-60.57
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1C(C)(C)C	REAL300012088006	1	53	0.0	-72.03	399.66	10.48	-61.55
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(CC4CCC4)=C3)C2=N1	REAL300012088007	1	50	0.0	-71.26	390.03	12.01	-59.25
O=C([O-])C1=CN2CCCC([NH2+]CC3=C(O)C=CC=C3Br)C2=N1	REAL300012088011	1	38	0.0	-68.30	326.77	6.20	-62.10
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1Cl	REAL300012088013	1	41	0.0	-75.61	344.52	8.35	-67.26
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC=C3CC(F)(F)F)C2=N1	REAL300012088016	1	43	0.0	-73.55	348.22	10.05	-63.50
CC(=O)NC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088019	1	44	0.0	-79.55	355.09	7.40	-72.15
CN1N=CC2=CC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=CN=C21	REAL300012088020	1	42	0.0	-77.70	343.29	7.63	-70.07
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(CC(F)(F)F)C=C3)C2=N1	REAL300012088023	1	43	0.0	-75.06	359.95	10.29	-64.77
CN1N=C2CCCCC2=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088024	1	47	0.0	-75.15	362.38	8.45	-66.70
CCOC(=O)C1=C(C)C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C(C)N1	REAL300012088025	1	50	0.0	-69.41	399.17	8.86	-60.55
CC1=C(C)C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CS1	REAL300012088026	1	40	0.0	-70.89	324.23	8.76	-62.13
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=CC=C4)C(Cl)=C3)C2=N1	REAL300012088028	1	47	0.0	-77.44	392.14	12.45	-64.99
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(F)C4=CC=CC=C34)C2=N1	REAL300012088033	0	43	0.0	-74.11	345.57	10.65	-63.46
CCOC1=CC(F)=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088039	1	44	0.0	-74.67	356.75	8.80	-65.87
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C(=O)N4CCCC4)C=C3)C2=N1	REAL300012088040	1	51	0.0	-77.23	394.99	9.52	-67.71
CC(C)(C)OC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088042	1	50	0.0	-69.71	379.38	9.64	-60.07
CC1=C(Cl)C=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088043	1	40	0.0	-69.73	327.98	9.53	-60.20
CC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=C1Br	REAL300012088045	1	43	0.0	-70.34	350.78	10.12	-60.22
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012088047	1	54	0.0	-80.92	421.06	8.74	-72.18
CN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2=CC(F)=CC=C2F)=N1	REAL300012088048	1	47	0.0	-66.59	391.31	9.79	-56.80
CCN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2=CC=CC=C2)=N1	REAL300012088054	1	50	0.0	-64.67	399.76	10.51	-54.16
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC4=C3CCOC4)C2=N1	REAL300012088055	1	45	0.0	-70.49	345.40	8.48	-62.01
COCC1=C(C)C=C(C)C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1C	REAL300012088056	0	53	0.0	-72.71	399.68	9.78	-62.93
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C4OC(=O)OC4=C3)C2=N1	REAL300012088057	1	39	0.0	-79.08	326.74	9.05	-70.03
CC1=C(Br)C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)S1	REAL300012088058	1	37	0.0	-70.88	330.59	8.94	-61.94
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(C4=CC=C(Cl)C=C4)=C3)C2=N1	REAL300012088059	0	47	0.0	-73.85	389.92	12.43	-61.42
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC4=NC=CC=C34)C2=N1	REAL300012088060	0	42	0.0	-75.08	335.15	8.72	-66.36
CCCOC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1C	REAL300012088061	1	50	0.0	-72.38	391.92	10.28	-62.10
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=NC=CN=C4C=C3)C2=N1	REAL300012088062	1	41	0.0	-81.29	335.03	6.92	-74.37
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1CN1C=CC=N1	REAL300012088063	1	51	0.0	-71.37	411.20	9.48	-61.89
CC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=CC=C1[N+](=O)[O-]	REAL300012088066	1	42	0.0	-74.74	340.23	9.65	-65.09
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088067	1	45	0.0	-84.01	354.59	10.12	-73.89
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(OC4=CC=CC=N4)=C3)C2=N1	REAL300012088071	1	47	0.0	-73.02	385.62	8.88	-64.14
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(COC4=CC=CC=C4)=C3)C2=N1	REAL300012088072	1	51	0.0	-71.23	410.26	11.78	-59.45
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088075	1	53	0.0	-72.42	414.56	11.49	-60.93
CC1=CC(C#N)=CC(C)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088076	1	44	0.0	-75.45	352.00	10.00	-65.45
CCCC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012088079	1	46	0.0	-71.27	363.37	10.72	-60.55
O=C([O-])C1=CN2CCCC(NCC3=CC=C(OCC[NH+]4CCCC4)C=C3)C2=N1	REAL300012088082	0	56	0.0	-83.98	430.52	9.95	-74.03
CC1=C2C=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C=NC2=NN1	REAL300012088083	1	42	0.0	-88.72	342.05	7.03	-81.69
CS(=O)(=O)NC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088084	1	45	0.0	-83.25	376.28	5.13	-78.12
O=C([O-])C1=CN2CCCC([NH2+]CC3=C4C=CC=CC4=NN3)C2=N1	REAL300012088086	1	40	0.0	-77.87	325.93	7.10	-70.77
CCC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)S1	REAL300012088088	0	40	0.0	-72.39	332.63	9.17	-63.22
O=C([O-])C1=CN2CCCC([NH2+]CC3=NC=CC4=CC=CC=C43)C2=N1	REAL300012088089	1	42	0.0	-76.32	336.77	8.77	-67.55
CC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)N2C=CC=CC2=N1	REAL300012088090	1	43	0.0	-78.30	345.53	9.45	-68.85
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CNC1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088091	0	57	0.0	-73.82	419.96	11.09	-62.73
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNC1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088091	1	57	0.0	-72.94	420.85	11.20	-61.74
CCC1=NC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)S1	REAL300012088092	1	39	0.0	-72.30	327.27	7.20	-65.10
COC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)SC=C1	REAL300012088093	1	38	0.0	-66.58	319.21	6.89	-59.69
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(C4=CC=CC=N4)=NN3)C2=N1	REAL300012088094	1	43	0.0	-74.93	355.23	6.73	-68.20
CCCC(C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12)C1=CC=CC=C1	REAL300012088098	0	49	0.0	-77.24	376.46	11.10	-66.14
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C(F)(F)F)S3)C2=N1	REAL300012088100	1	37	0.0	-77.76	329.94	8.80	-68.96
CN(C)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C(F)(F)F)=C1	REAL300012088101	1	48	0.0	-80.79	379.20	9.94	-70.85
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088102	0	47	0.0	-75.34	381.23	11.13	-64.21
CC(C)C1CCC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)CC1	REAL300012088104	0	52	0.0	-72.47	375.90	10.57	-61.90
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088107	0	48	0.0	-75.65	385.62	9.90	-65.75
COCC1=CC=CC=C1C=C(C)C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088108	0	51	0.0	-74.06	398.08	10.12	-63.94
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088109	0	47	0.0	-62.79	373.58	9.36	-53.43
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC=CN=C4O3)C2=N1	REAL300012088112	1	39	0.0	-85.11	321.74	5.96	-79.15
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012088114	0	52	0.0	-73.45	418.96	11.87	-61.58
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC(Cl)=CN=C4O3)C2=N1	REAL300012088115	1	39	0.0	-83.89	338.50	6.46	-77.43
O=C([O-])C1=CN2CCCC([NH2+]C[C@@H]3C[C@H]3C3=CC=CC=C3)C2=N1	REAL300012088116	0	44	0.0	-73.01	348.26	10.60	-62.41
CC1=C(Br)C=NC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088123	1	39	0.0	-74.16	327.53	7.83	-66.33
CN1N=CC(C2CC2)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088125	1	44	0.0	-75.23	348.93	8.10	-67.13
CN1N=CC(C2CCC2)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088126	1	47	0.0	-76.23	366.21	8.63	-67.60
CC1=C2C=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)NC2=CC=C1	REAL300012088127	1	44	0.0	-73.11	351.87	9.07	-64.04
O=C([O-])C1=CN2CCCC(NCC3=CC=NN3C3=CC=[NH+]C=C3)C2=N1	REAL300012088128	1	43	0.0	-92.01	353.26	6.59	-85.42
CC1=CC=C2C=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)NC2=C1	REAL300012088129	1	44	0.0	-75.13	352.30	9.08	-66.05
CCOC1=CN=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088130	1	43	0.0	-74.68	345.27	6.91	-67.77
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC4=NNC=C43)C2=N1	REAL300012088133	0	40	0.0	-80.40	325.16	7.18	-73.22
CCC(F)(F)C(C)(C)C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088134	0	45	0.0	-78.97	338.60	8.87	-70.10
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C4C=CNC4=C3)C2=N1	REAL300012088135	1	41	0.0	-75.03	330.35	8.53	-66.50
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C(F)F)N=C3)C2=N1	REAL300012088137	1	39	0.0	-76.20	328.40	7.58	-68.62
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088138	1	46	0.0	-74.59	370.89	8.91	-65.68
COC1=CN=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1C	REAL300012088140	1	43	0.0	-74.67	337.58	6.64	-68.03
CC1=CC(C)=C(C=CC[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=C1	REAL300012088141	0	50	0.0	-74.39	389.12	11.61	-62.78
CC(C)(C)OC(=O)NC(C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12)CC(F)F	REAL300012088142	0	53	0.0	-76.14	405.68	7.29	-68.85
CN(C)C1=CC=C(F)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088145	1	45	0.0	-69.54	356.67	8.56	-60.98
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC=CC(F)=C4N=C3)C2=N1	REAL300012088147	1	42	0.0	-75.86	346.40	8.94	-66.92
CC1=CC(C)=C(C=CC[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1C	REAL300012088148	0	50	0.0	-75.66	385.91	11.54	-64.12
NS(=O)(=O)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012088149	1	42	0.0	-80.10	353.22	3.46	-76.64
CN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2CCCC2)=N1	REAL300012088154	1	50	0.0	-72.05	387.41	9.39	-62.66
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(OC4=CC=C(F)C=C4)=C3)C2=N1	REAL300012088156	1	48	0.0	-72.21	394.09	11.42	-60.79
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C4OCCCC4=C3)C2=N1	REAL300012088157	1	45	0.0	-73.07	352.68	9.13	-63.94
CN(C)C(=O)C1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088158	1	47	0.0	-74.12	371.55	8.32	-65.80
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C2CCCCC2=N1	REAL300012088162	1	49	0.0	-75.26	371.64	9.66	-65.60
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC=C3N3CCCCC3)C2=N1	REAL300012088163	1	52	0.0	-65.27	392.98	10.52	-54.75
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CN=C1F	REAL300012088166	1	39	0.0	-80.74	320.61	7.28	-73.46
CC1=CC(F)=NC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088167	1	39	0.0	-79.45	315.64	7.25	-72.20
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C(F)F)C(F)=C3)C2=N1	REAL300012088168	1	40	0.0	-85.23	338.41	9.48	-75.75
COC(=O)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1C	REAL300012088169	1	46	0.0	-76.17	369.82	9.70	-66.47
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=C1	REAL300012088170	1	44	0.0	-71.81	343.35	8.40	-63.41
CC1CC2=CC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=CC=C2O1	REAL300012088173	1	45	0.0	-75.39	355.90	9.10	-66.29
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC4=C3OC(=O)N4)C2=N1	REAL300012088174	1	40	0.0	-67.31	330.85	5.98	-61.33
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC4=C3OCC4)C2=N1	REAL300012088175	1	42	0.0	-65.95	334.85	8.28	-57.67
CSCC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012088176	1	44	0.0	-73.94	365.10	10.39	-63.55
CN1N=C2CCCC2=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088179	1	44	0.0	-76.34	345.77	7.95	-68.39
COC1=CC=C(C)C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088184	1	44	0.0	-75.14	343.36	8.40	-66.74
CN1C=NC2=CC=CC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=C21	REAL300012088185	0	43	0.0	-75.37	337.49	9.74	-65.63
CN(C)C(=O)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012088186	1	47	0.0	-83.64	369.68	8.36	-75.28
CC1=CC(F)=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088187	1	40	0.0	-76.67	326.80	9.24	-67.43
CC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=C1C	REAL300012088188	0	46	0.0	-70.91	348.64	10.21	-60.70
CCNC(=O)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012088189	1	47	0.0	-84.24	376.94	7.63	-76.61
CC(C)(C)C1=CC=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088190	1	49	0.0	-67.23	353.40	10.82	-56.41
COC1=CC=C2SC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=CC2=C1	REAL300012088192	0	44	0.0	-75.58	366.02	9.30	-66.28
CCN(CC)C(=O)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012088194	1	53	0.0	-83.69	410.24	10.22	-73.47
CCN1CCC2=CC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=CC=C21	REAL300012088195	0	49	0.0	-73.10	378.28	9.12	-63.98
CCN(C)C(=O)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012088196	1	50	0.0	-84.10	391.81	9.36	-74.74
CC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=NN1C(C)C	REAL300012088197	1	46	0.0	-77.28	361.98	8.25	-69.03
CSC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1Cl	REAL300012088198	1	41	0.0	-71.93	354.21	9.97	-61.96
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1C1CC1	REAL300012088199	1	47	0.0	-71.53	365.40	11.13	-60.40
CCOC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=N1	REAL300012088200	1	43	0.0	-78.93	348.04	6.12	-72.81
CC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1C1CC1	REAL300012088201	1	47	0.0	-71.97	366.01	11.12	-60.85
CC1=NN(C2=CC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C(C)=C2)C=C1	REAL300012088202	1	50	0.0	-74.29	394.14	10.89	-63.40
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C(F)(F)C(F)(F)F)C=C3)C2=N1	REAL300012088203	1	43	0.0	-75.32	370.18	10.38	-64.94
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088204	1	47	0.0	-73.53	389.34	10.79	-62.74
CC1=NN(C2=CC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C=C2)C=C1Cl	REAL300012088206	1	47	0.0	-80.66	395.90	10.79	-69.87
CC(C)(C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12)C1=CC=C(Br)C=C1	REAL300012088209	0	46	0.0	-76.23	368.34	10.82	-65.41
CC1=NN(C(C)C)C(C)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088210	1	49	0.0	-69.62	382.48	8.81	-60.81
CCN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=N1	REAL300012088212	1	43	0.0	-70.92	343.04	7.73	-63.19
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(Cl)=CC(Br)=C3)C2=N1	REAL300012088213	1	37	0.0	-73.60	337.01	9.62	-63.98
CC1=CC=C(C2=CC=CC=C2C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=C1	REAL300012088214	0	53	0.0	-63.11	410.09	12.99	-50.12
CN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2CC2)=N1	REAL300012088215	1	44	0.0	-71.61	353.97	8.45	-63.16
COC(=O)C1=C2COCCN2C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088217	1	49	0.0	-76.56	392.46	7.84	-68.72
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C(=O)N4CCCCC4)C=C3)C2=N1	REAL300012088218	1	54	0.0	-78.62	413.92	10.41	-68.21
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088220	0	47	0.0	-77.27	369.77	11.48	-65.79
O=C([O-])C1=CN2CCCC([NH2+]CC3=CNN=C3C3=CC=C(Cl)O3)C2=N1	REAL300012088222	1	41	0.0	-61.47	355.26	7.39	-54.08
O=C([O-])C1=CN2CCCC([NH2+]CC3=CN4C=CN=C4S3)C2=N1	REAL300012088227	1	37	0.0	-82.00	316.42	8.44	-73.56
CC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C(C(C)(C)C)O1	REAL300012088228	1	49	0.0	-73.24	381.78	10.03	-63.21
CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)CC1	REAL300012088231	0	57	0.0	-80.49	422.80	9.51	-70.98
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(S(=O)(=O)C(F)F)=C3)C2=N1	REAL300012088233	1	43	0.0	-76.21	372.88	6.43	-69.78
CC1OC2=CC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C=C2C1C	REAL300012088234	1	48	0.0	-74.68	376.64	9.73	-64.95
CC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OC(F)F	REAL300012088235	1	44	0.0	-77.23	358.31	8.83	-68.40
CC(C)CC1=CC=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088237	0	49	0.0	-70.40	371.46	11.01	-59.39
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C4CCOC4=C3)C2=N1	REAL300012088243	1	42	0.0	-70.74	334.83	8.34	-62.40
CSC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088246	1	41	0.0	-69.71	339.20	9.52	-60.19
CC(C)C1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)N(C)N=C1	REAL300012088247	1	46	0.0	-75.53	361.19	7.97	-67.56
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC(C)=N1	REAL300012088248	1	42	0.0	-74.78	337.09	7.95	-66.83
CN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2=CC=CC(F)=C2)=N1	REAL300012088250	1	47	0.0	-67.53	384.85	9.69	-57.84
CCCN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=N1	REAL300012088251	1	46	0.0	-70.68	364.54	8.50	-62.18
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=NC=CC=C4O3)C2=N1	REAL300012088252	1	39	0.0	-78.49	321.72	7.21	-71.28
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(CC4CC4)S3)C2=N1	REAL300012088253	0	44	0.0	-72.66	364.28	10.73	-61.93
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OC4CC4)C=C3)C2=N1	REAL300012088254	1	45	0.0	-75.31	359.65	9.45	-65.86
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(C(F)(F)C(F)(F)F)=C3)C2=N1	REAL300012088256	1	43	0.0	-70.71	370.17	10.39	-60.32
CC1=NC=CN1C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=C1	REAL300012088257	0	50	0.0	-77.66	393.61	11.56	-66.10
CC1=C(C)N(C2=CC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C=C2)C=N1	REAL300012088258	1	50	0.0	-79.57	396.72	12.11	-67.46
CNC(=O)C1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088259	1	44	0.0	-71.91	355.46	6.77	-65.14
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4CC4)C(C4CC4)=C3)C2=N1	REAL300012088260	1	51	0.0	-72.17	393.94	12.53	-59.64
C[NH+](C)CCC1=CC=C(CNC2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012088261	0	51	0.0	-88.43	399.57	9.72	-78.71
CCNC(=O)C1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088262	1	47	0.0	-71.37	376.95	7.62	-63.75
CC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)OC2=CC=C(F)C=C12	REAL300012088263	1	43	0.0	-77.48	352.92	9.67	-67.81
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088265	1	47	0.0	-75.89	379.14	9.64	-66.25
CC(C)(C)C1=CN=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088268	1	48	0.0	-75.84	370.38	9.00	-66.84
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC4=C3C3=C(C=CC=C3)N4)C2=N1	REAL300012088270	0	47	0.0	-67.87	371.74	10.52	-57.35
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC4=C3COCC4)C2=N1	REAL300012088275	1	45	0.0	-72.44	345.78	8.47	-63.97
O=C([O-])C1=CN2CCCC([NH2+]CC3=CNN=C3C3=CC=CC(F)=C3)C2=N1	REAL300012088279	1	44	0.0	-67.66	361.94	8.40	-59.26
CN(CCO)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=N1	REAL300012088285	1	48	0.0	-75.58	378.56	6.07	-69.51
COC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=CC=C1C(C)(C)C	REAL300012088286	1	53	0.0	-64.91	392.17	10.19	-54.72
COC1=CC(C)=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=N1	REAL300012088288	1	43	0.0	-76.19	341.40	5.80	-70.39
COC1=CC(C)=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1O	REAL300012088289	1	45	0.0	-77.34	354.69	6.15	-71.19
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CC=C(F)C=C4NC3=O)C2=N1	REAL300012088290	1	43	0.0	-89.47	355.84	7.60	-81.87
CN1C(=O)C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC2=CC=CC=C21	REAL300012088291	1	46	0.0	-86.73	365.57	9.25	-77.48
CC1=CC(C)=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=C1Br	REAL300012088294	0	46	0.0	-68.94	367.96	10.68	-58.26
O=C([O-])C1=CN2CCCC([NH2+]CC=CC3=CC=C4OCOC4=C3)C2=N1	REAL300012088295	0	44	0.0	-82.69	356.09	8.46	-74.23
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(CC4CCC4)C=C3)C2=N1	REAL300012088296	1	50	0.0	-71.50	390.05	12.02	-59.48
CCC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=NN1CC	REAL300012088297	1	46	0.0	-73.94	353.25	8.23	-65.71
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088299	1	54	0.0	-75.79	420.79	8.75	-67.04
CC(F)(F)C1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088304	1	43	0.0	-73.15	352.21	10.03	-63.12
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CSC=C4)N=C3)C2=N1	REAL300012088305	1	43	0.0	-73.44	361.91	9.28	-64.16
CN1C=C(C2=NNC=C2C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=N1	REAL300012088306	1	44	0.0	-67.08	359.53	6.16	-60.92
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CSC=C4)C=C3)C2=N1	REAL300012088312	1	44	0.0	-73.58	364.55	10.93	-62.65
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC4=CC(Cl)=CC=C43)C2=N1	REAL300012088314	0	43	0.0	-71.56	356.76	11.12	-60.44
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OC4=CC=CC(Cl)=C4)C=C3)C2=N1	REAL300012088316	1	48	0.0	-75.43	404.53	11.84	-63.59
C=CCC1=CC=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088317	1	44	0.0	-69.97	346.16	10.35	-59.62
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC=C3COC3CCCCC3)C2=N1	REAL300012088318	1	57	0.0	-71.91	429.22	11.99	-59.92
COC1=CC=CC(OC2=CC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C=C2)=C1	REAL300012088319	1	52	0.0	-79.18	417.32	10.64	-68.54
CCN1CCCC2=CC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=CC=C21	REAL300012088320	0	52	0.0	-71.39	387.92	9.52	-61.87
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012088323	1	52	0.0	-77.45	417.89	11.28	-66.17
COCC1=CC=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088326	1	44	0.0	-71.61	345.47	8.33	-63.28
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC=C3CC3=CC=C(Cl)C=C3)C2=N1	REAL300012088327	1	50	0.0	-76.61	408.14	13.14	-63.47
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(SC(F)(F)F)=C3)C2=N1	REAL300012088328	1	41	0.0	-72.63	355.38	9.96	-62.67
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C4C(=C3)CCC43OCCO3)C2=N1	REAL300012088329	1	50	0.0	-74.97	392.19	9.17	-65.80
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C4CCOCC4=C3)C2=N1	REAL300012088330	1	45	0.0	-72.77	352.68	8.61	-64.16
CC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)SC2=CC(F)=CC=C12	REAL300012088332	0	43	0.0	-77.23	359.56	10.61	-66.62
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC(C4=CC=NC=C4)=NN3)C2=N1	REAL300012088333	1	43	0.0	-79.52	353.71	6.65	-72.87
CN1C=CC(C2=NNC=C2C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=N1	REAL300012088335	1	44	0.0	-63.67	359.34	6.54	-57.13
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(OCC4CCC4)=C3)C2=N1	REAL300012088338	1	51	0.0	-75.68	398.54	10.85	-64.83
CC(F)(F)C1=CC=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088339	1	43	0.0	-76.86	339.77	9.99	-66.87
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC=C1OCCO	REAL300012088340	1	49	0.0	-77.19	390.96	5.54	-71.65
CCN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2CC2)=N1	REAL300012088341	1	47	0.0	-71.01	375.49	9.33	-61.68
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1OCCO	REAL300012088342	1	49	0.0	-78.99	390.96	5.54	-73.45
CN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2=CC=NN2C)=N1	REAL300012088343	1	47	0.0	-65.44	383.18	7.39	-58.05
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CN=CC=C4C=C3)C2=N1	REAL300012088345	1	42	0.0	-76.55	339.98	8.98	-67.57
CC1=CC2=CC=CC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=C2O1	REAL300012088346	1	43	0.0	-65.81	348.33	9.63	-56.18
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(F)=C3C(F)(F)F)C2=N1	REAL300012088347	1	40	0.0	-87.81	333.00	9.56	-78.25
COC1=CSC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1OC	REAL300012088349	1	42	0.0	-70.09	348.19	6.63	-63.46
CC(C)OC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1F	REAL300012088355	1	47	0.0	-72.91	374.50	9.43	-63.48
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(C(F)F)=C3)C2=N1	REAL300012088358	1	40	0.0	-69.79	333.15	9.44	-60.35
O=C([O-])C1=CN2CCCC([NH2+]CC3=CSC(Cl)=C3)C2=N1	REAL300012088361	1	34	0.0	-70.53	306.01	8.06	-62.47
CC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=NN1C1CCC1	REAL300012088362	1	47	0.0	-77.47	368.04	8.90	-68.57
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(Cl)=C3C(F)(F)F)C2=N1	REAL300012088367	1	40	0.0	-86.26	340.66	9.92	-76.34
COC1=NC(C)=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=C1Cl	REAL300012088371	1	46	0.0	-74.06	372.85	6.76	-67.30
CC1=NN(C2CCCCC2)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088376	1	53	0.0	-70.54	403.34	10.11	-60.43
CC1=NN(C2CCOCC2)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088378	1	51	0.0	-71.92	394.12	7.71	-64.21
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C(=O)N4CCOCC4)C=C3)C2=N1	REAL300012088382	1	52	0.0	-83.86	403.69	7.95	-75.91
CC1=NN(C2CCCC2)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088383	1	50	0.0	-70.39	384.36	9.51	-60.88
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC=C3C(F)F)C2=N1	REAL300012088384	1	40	0.0	-76.41	322.89	9.45	-66.96
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=CNN=C4C=C3)C2=N1	REAL300012088387	1	40	0.0	-75.19	325.24	7.21	-67.98
CC1=C(F)C=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088389	1	40	0.0	-70.23	319.24	9.14	-61.09
CN1C=C(C2=CC=CC(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)=C2)C=N1	REAL300012088390	1	47	0.0	-74.87	379.11	9.80	-65.07
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C([N+](=O)[O-])C(OC4CC4)=C3)C2=N1	REAL300012088392	1	47	0.0	-84.69	385.55	10.91	-73.78
CC1=CC=C(Br)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088393	1	40	0.0	-74.71	335.17	9.72	-64.99
COC1=NC2=CC=C(C[NH2+]C3CCCN4C=C(C(=O)[O-])N=C34)C=C2S1	REAL300012088395	1	43	0.0	-76.30	363.39	6.32	-69.98
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=NC(Br)=C3)C2=N1	REAL300012088396	1	36	0.0	-74.00	315.33	7.23	-66.77
CC1=NC(Cl)=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088398	1	39	0.0	-73.52	325.85	7.70	-65.82
CC(C)(C)COC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088399	1	53	0.0	-69.74	410.77	10.84	-58.90
COC1=CC(Cl)=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088400	1	41	0.0	-73.82	345.22	8.31	-65.51
COC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CC(F)=C1F	REAL300012088402	1	41	0.0	-83.12	341.01	7.93	-75.19
CN1N=CC=C1C1=NNC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088405	1	44	0.0	-66.27	361.26	6.08	-60.19
COC(=O)C1=C(C)NC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1C	REAL300012088407	1	47	0.0	-73.18	382.77	8.16	-65.02
CC1=CC(Br)=CC(C)=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088409	1	43	0.0	-71.08	352.58	10.23	-60.85
N#CC1=CC(F)=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088412	1	38	0.0	-81.02	326.25	8.95	-72.07
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4CCCCC4)C=C3)C2=N1	REAL300012088413	1	53	0.0	-71.41	400.83	12.31	-59.10
COC1=CC=CC=C1C=CC[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088414	0	45	0.0	-79.81	358.40	9.16	-70.65
CC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)SC(Br)=C1	REAL300012088415	1	37	0.0	-74.08	329.38	8.85	-65.23
CC1=NN(C2CCC2)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088416	1	47	0.0	-70.81	367.65	8.79	-62.02
CC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=NN1CC(F)F	REAL300012088417	1	43	0.0	-82.00	354.44	7.91	-74.09
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=CC=N4)N=C3)C2=N1	REAL300012088418	1	45	0.0	-77.41	368.17	8.84	-68.57
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088421	1	44	0.0	-74.46	362.41	7.73	-66.73
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(CC4=CC=CC=C4)C=C3)C2=N1	REAL300012088422	1	50	0.0	-73.62	401.78	12.96	-60.66
CCCCC(=O)NC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012088423	1	53	0.0	-83.72	418.65	9.75	-73.97
COC1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=N1	REAL300012088424	1	43	0.0	-73.60	341.16	5.75	-67.85
CCN(C)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C)=C1	REAL300012088425	0	51	0.0	-70.67	387.16	10.46	-60.21
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088428	1	58	0.0	-66.38	426.72	10.60	-55.78
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(CF)C=C3)C2=N1	REAL300012088430	1	40	0.0	-74.39	326.97	9.32	-65.07
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(OC(F)(F)F)C(Cl)=C3)C2=N1	REAL300012088431	1	41	0.0	-74.40	361.01	8.85	-65.55
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC(C4CC(F)(F)C4(F)F)=C3)C2=N1	REAL300012088432	1	47	0.0	-74.61	387.56	11.32	-63.29
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C4SC=CC4=C3)C2=N1	REAL300012088433	1	40	0.0	-74.31	335.91	9.88	-64.43
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3)C2=N1	REAL300012088434	1	46	0.0	-76.29	368.40	10.17	-66.12
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC=C3CO)C2=N1	REAL300012088435	1	41	0.0	-73.73	323.22	5.92	-67.81
CC1=CC=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1C(F)(F)F	REAL300012088438	1	43	0.0	-81.56	344.03	10.06	-71.50
C=CCN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=N1	REAL300012088439	1	41	0.0	-77.04	336.13	7.73	-69.31
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC4=NNC=C4C=C3)C2=N1	REAL300012088440	1	40	0.0	-73.36	325.23	7.21	-66.15
CCC(C)C1=CC=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=C1	REAL300012088441	1	49	0.0	-71.39	377.65	11.09	-60.30
O=C([O-])C1=CN2CCCC([NH2+]CC3=C4SC(C(F)F)=NC4=CC=C3)C2=N1	REAL300012088443	1	42	0.0	-69.10	364.09	8.85	-60.25
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC4=C3CCCC4)C2=N1	REAL300012088448	0	47	0.0	-71.56	354.47	10.84	-60.72
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088450	0	44	0.0	-75.82	358.96	10.37	-65.45
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(N4C=CN=N4)C=C3)C2=N1	REAL300012088453	1	43	0.0	-86.67	351.35	8.41	-78.26
CC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C=CC2=CC=CC=C21	REAL300012088454	0	46	0.0	-73.16	356.01	11.23	-61.93
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088455	1	55	0.0	-69.89	424.22	10.13	-59.76
COC1=C2C=CNC2=CC=C1C[NH2+]C1CCCN2C=C(C(=O)[O-])N=C12	REAL300012088456	1	45	0.0	-65.71	359.97	7.89	-57.82
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=C(N4CCC(O)C4)C=C3)C2=N1	REAL300012088458	0	50	0.0	-72.50	384.32	5.49	-67.01
CCCN1N=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1C	REAL300012088460	1	46	0.0	-77.04	362.85	8.33	-68.71
O=C([O-])C1=CN2CCCC([NH2+]CC3=CC=CC=C3C(=O)N3CCCCC3)C2=N1	REAL300012088461	1	54	0.0	-57.16	404.94	10.59	-46.57
CC1=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C2=NC=CC=C2C=C1	REAL300012088463	0	45	0.0	-73.77	354.77	9.57	-64.20
CC1=CC(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=CN=C1N1C=CC=N1	REAL300012088464	1	46	0.0	-80.18	371.13	9.84	-70.34
COC(=O)C1=CN(C)C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1	REAL300012088465	1	44	0.0	-71.62	361.00	8.60	-63.02
COC1=CC=C(Br)C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)=C1O	REAL300012088466	1	42	0.0	-63.80	355.97	6.16	-57.64
CN1C=C(C[NH2+]C2CCCN3C=C(C(=O)[O-])N=C23)C(C2CCC2)=N1	REAL300012088468	1	47	0.0	-71.70	370.32	8.90	-62.80
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C)=C1	REAL300012088470	0	47	0.0	-40.67	371.99	11.98	-28.69
CC1=CC=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088471	0	47	0.0	-40.56	371.99	11.98	-28.58
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CN=C3C=C2)C=C1[N+](=O)[O-]	REAL300012088472	0	46	0.0	-67.29	374.84	10.86	-56.43
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CC3C=CC2C3)C=C1[N+](=O)[O-]	REAL300012088473	0	46	0.0	-42.24	353.61	11.26	-30.98
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCCCC2)C=C1[N+](=O)[O-]	REAL300012088474	0	47	0.0	-42.12	361.05	11.22	-30.90
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(C)(C)C)C=C2)C=C1[N+](=O)[O-]	REAL300012088475	0	53	0.0	-41.83	416.03	13.21	-28.62
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012088476	0	48	0.0	-49.62	388.84	10.68	-38.94
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Br)O2)C=C1[N+](=O)[O-]	REAL300012088477	1	38	0.0	-62.56	339.42	9.47	-53.09
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088478	0	51	0.0	-48.00	418.27	12.69	-35.31
CCOC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CC=C1OC	REAL300012088479	0	52	0.0	-66.44	414.84	10.62	-55.82
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C)=C2C)C=C1[N+](=O)[O-]	REAL300012088480	0	47	0.0	-40.90	365.99	11.77	-29.13
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1C	REAL300012088481	0	47	0.0	-60.31	372.65	11.70	-48.61
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OC(C)C)C=C1[N+](=O)[O-]	REAL300012088482	0	51	0.0	-36.75	408.12	11.82	-24.93
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)C=C1[N+](=O)[O-]	REAL300012088483	0	51	0.0	-65.15	417.70	12.17	-52.98
CCC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C2=CC=CC=C2O1	REAL300012088484	0	50	0.0	-43.68	399.51	12.64	-31.04
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OC(F)(F)F)C=C1[N+](=O)[O-]	REAL300012088485	0	45	0.0	-37.20	384.46	10.71	-26.49
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(Cl)=C1	REAL300012088486	0	45	0.0	-36.90	380.47	10.56	-26.34
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300012088487	0	45	0.0	-46.97	383.09	10.53	-36.44
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C#N)=C2)C=C1[N+](=O)[O-]	REAL300012088488	0	42	0.0	-69.51	354.57	10.88	-58.63
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C=C1[N+](=O)[O-]	REAL300012088489	0	48	0.0	-49.81	395.26	10.76	-39.05
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088490	0	51	0.0	-49.49	410.25	11.37	-38.12
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=CS2)C=C1[N+](=O)[O-]	REAL300012088491	0	45	0.0	-46.47	376.17	9.70	-36.77
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC3=CC=CC=C23)C=C1[N+](=O)[O-]	REAL300012088492	0	44	0.0	-44.11	375.74	12.20	-31.91
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3OC2)C=C1[N+](=O)[O-]	REAL300012088493	0	47	0.0	-46.10	383.14	11.23	-34.87
CC1=CC=C(C2=CC=C(C[NH2+]C(CC(=O)[O-])C3=CC=C(C)C([N+](=O)[O-])=C3)O2)C=C1	REAL300012088494	0	51	0.0	-41.78	421.42	13.43	-28.35
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)O1	REAL300012088495	0	48	0.0	-38.97	390.20	9.76	-29.21
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=CN=C2)C=C1[N+](=O)[O-]	REAL300012088496	0	47	0.0	-49.26	383.75	8.88	-40.38
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)S2)C=C1[N+](=O)[O-]	REAL300012088497	0	38	0.0	-41.63	347.00	10.59	-31.04
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=CC=CN=C32)C=C1[N+](=O)[O-]	REAL300012088498	0	46	0.0	-45.87	379.42	11.39	-34.48
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088499	0	50	0.0	-49.12	410.91	9.89	-39.23
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C=C1[N+](=O)[O-]	REAL300012088500	0	48	0.0	-47.63	395.45	11.94	-35.69
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C=C1[N+](=O)[O-]	REAL300012088501	0	47	0.0	-49.48	390.42	13.32	-36.16
CCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)O1	REAL300012088502	0	44	0.0	-43.79	361.24	10.48	-33.31
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC=C2F)C=C1[N+](=O)[O-]	REAL300012088503	1	41	0.0	-40.09	351.84	10.96	-29.13
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C=C2Cl)C=C1[N+](=O)[O-]	REAL300012088504	0	41	0.0	-37.71	357.39	11.34	-26.37
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(Cl)=C2)C=C1[N+](=O)[O-]	REAL300012088505	0	41	0.0	-68.61	356.83	11.06	-57.55
CCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088506	0	48	0.0	-60.94	385.07	10.73	-50.21
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1F	REAL300012088507	0	44	0.0	-63.58	360.96	11.21	-52.37
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC=C2Cl)C=C1[N+](=O)[O-]	REAL300012088508	0	41	0.0	-37.15	367.73	11.79	-25.36
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=C(F)C(F)=C2)C=C1[N+](=O)[O-]	REAL300012088509	0	41	0.0	-72.13	352.92	10.69	-61.44
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3S2)C=C1[N+](=O)[O-]	REAL300012088510	0	44	0.0	-61.23	370.85	12.03	-49.20
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(F)=C2)C=C1[N+](=O)[O-]	REAL300012088511	0	41	0.0	-68.74	356.83	11.07	-57.67
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CN=C2Cl)C=C1[N+](=O)[O-]	REAL300012088512	1	40	0.0	-37.76	342.71	9.35	-28.41
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C(C)C)C=C1[N+](=O)[O-]	REAL300012088513	0	50	0.0	-44.29	403.83	10.45	-33.84
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)N(C)N=C2C(C)C)C=C1[N+](=O)[O-]	REAL300012088514	1	50	0.0	-58.66	413.56	10.44	-48.22
COCCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088515	0	52	0.0	-43.11	422.02	10.24	-32.87
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1Cl	REAL300012088516	0	45	0.0	-66.67	379.77	10.35	-56.32
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C=C1[N+](=O)[O-]	REAL300012088517	1	46	0.0	-63.29	397.23	9.53	-53.76
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=CC=CC=C3N2C(C)C)C=C1[N+](=O)[O-]	REAL300012088518	1	53	0.0	-39.25	418.46	12.31	-26.94
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OCCO3)C=C1[N+](=O)[O-]	REAL300012088519	0	47	0.0	-44.62	380.11	9.99	-34.63
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OCCCO3)C=C1[N+](=O)[O-]	REAL300012088520	0	50	0.0	-48.23	401.64	10.85	-37.38
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088521	1	53	0.0	-38.94	423.00	12.81	-26.13
CCCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088522	0	51	0.0	-41.68	409.89	11.77	-29.91
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C=C1[N+](=O)[O-]	REAL300012088523	0	48	0.0	-44.96	405.92	13.45	-31.51
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC3CCCC3)=C2)C=C1[N+](=O)[O-]	REAL300012088524	0	55	0.0	-60.77	427.86	12.70	-48.07
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC(C)C)=C2)C=C1[N+](=O)[O-]	REAL300012088525	0	51	0.0	-60.65	402.86	11.34	-49.31
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OC2CCCC2)C=C1[N+](=O)[O-]	REAL300012088528	0	55	0.0	-56.03	426.04	12.77	-43.26
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)OC=C1	REAL300012088529	0	41	0.0	-42.89	335.44	9.39	-33.50
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(Cl)C(C)=C2)C=C1[N+](=O)[O-]	REAL300012088530	0	43	0.0	-67.56	364.22	9.74	-57.82
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C=C1[N+](=O)[O-]	REAL300012088531	0	46	0.0	-56.43	389.85	11.53	-44.90
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C3=CC=CN=C23)C=C1[N+](=O)[O-]	REAL300012088532	0	46	0.0	-40.10	385.24	11.43	-28.67
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC3=CC=CN=C32)C=C1[N+](=O)[O-]	REAL300012088533	0	46	0.0	-57.28	379.55	11.09	-46.19
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C=C1[N+](=O)[O-]	REAL300012088534	0	46	0.0	-39.37	394.10	11.81	-27.56
COC1=CC=C2OC(C[NH2+]C(CC(=O)[O-])C3=CC=C(C)C([N+](=O)[O-])=C3)=CC2=C1	REAL300012088535	0	48	0.0	-43.95	397.18	10.69	-33.26
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=CC=C(Cl)C=C2)C=C1[N+](=O)[O-]	REAL300012088536	0	45	0.0	-66.34	381.48	12.32	-54.02
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C2=CC=CC=C2O1	REAL300012088537	0	47	0.0	-45.61	382.43	11.77	-33.84
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=COC3=CC=CC=C23)C=C1[N+](=O)[O-]	REAL300012088538	0	44	0.0	-47.07	367.65	11.24	-35.83
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C=C1[N+](=O)[O-]	REAL300012088539	1	49	0.0	-48.18	407.84	12.69	-35.49
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)N=C1	REAL300012088540	0	43	0.0	-38.30	356.18	9.70	-28.60
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=CC=C(F)C=C2F)C=C1[N+](=O)[O-]	REAL300012088541	0	45	0.0	-69.12	376.67	11.90	-57.22
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C=C1[N+](=O)[O-]	REAL300012088542	1	48	0.0	-41.02	396.26	11.89	-29.13
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)SC=C2)C=C1[N+](=O)[O-]	REAL300012088543	1	38	0.0	-35.84	341.73	10.30	-25.54
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC3=C2OCC3)C=C1[N+](=O)[O-]	REAL300012088544	0	46	0.0	-39.86	392.34	11.21	-28.65
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=C(F)C=CC=C3N2)C=C1[N+](=O)[O-]	REAL300012088545	0	45	0.0	-49.87	378.27	10.88	-38.99
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=C(F)C=C3N2)C=C1[N+](=O)[O-]	REAL300012088546	0	45	0.0	-46.75	375.42	10.80	-35.95
CCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=N1	REAL300012088547	1	47	0.0	-39.49	386.15	8.39	-31.10
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CN=C3C(C)=C2)C=C1[N+](=O)[O-]	REAL300012088548	0	49	0.0	-67.41	397.56	11.80	-55.61
CC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CC=C1Cl	REAL300012088549	0	44	0.0	-45.33	372.50	11.83	-33.50
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C3C=CSC3=C2)C=C1[N+](=O)[O-]	REAL300012088550	0	43	0.0	-66.44	366.05	9.98	-56.46
CCCC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088551	0	50	0.0	-60.54	398.62	12.71	-47.83
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1C#N	REAL300012088552	0	46	0.0	-50.15	386.74	10.46	-39.69
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(SC(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300012088553	0	45	0.0	-44.45	389.65	12.15	-32.30
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=C(Cl)C=C2C)C=C1[N+](=O)[O-]	REAL300012088554	0	47	0.0	-42.21	383.24	12.18	-30.03
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C=C1[N+](=O)[O-]	REAL300012088555	0	45	0.0	-68.75	379.72	10.15	-58.60
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)N=C1	REAL300012088556	1	47	0.0	-40.04	386.18	9.24	-30.80
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088557	0	47	0.0	-44.84	389.32	12.31	-32.53
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Br)S2)C=C1[N+](=O)[O-]	REAL300012088558	0	38	0.0	-41.55	351.63	10.69	-30.86
C=CCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088559	0	49	0.0	-61.20	397.97	11.32	-49.88
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=C(C)C(C)=C2)C=C1[N+](=O)[O-]	REAL300012088560	0	50	0.0	-40.74	386.70	12.41	-28.33
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C=C1[N+](=O)[O-]	REAL300012088561	0	48	0.0	-61.65	404.57	13.39	-48.26
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC(C)(C)C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012088562	0	50	0.0	-62.50	382.35	12.22	-50.28
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCC(C)CC2)C=C1[N+](=O)[O-]	REAL300012088563	0	50	0.0	-42.26	372.09	11.48	-30.78
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC(C)CCC2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012088564	0	53	0.0	-44.37	416.32	13.63	-30.74
CCC1CCCC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C1	REAL300012088565	0	53	0.0	-61.61	386.76	11.81	-49.80
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088566	0	47	0.0	-33.42	381.44	12.39	-21.03
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC(C)=C(C)C=C3O2)C=C1[N+](=O)[O-]	REAL300012088567	0	50	0.0	-41.48	406.01	12.61	-28.87
CCCC1CCC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)CC1	REAL300012088568	0	56	0.0	-42.13	418.84	13.11	-29.02
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCCCC2C)C=C1[N+](=O)[O-]	REAL300012088569	0	50	0.0	-41.00	375.12	11.55	-29.45
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C=C1[N+](=O)[O-]	REAL300012088570	0	48	0.0	-50.70	393.05	13.12	-37.58
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C=C1[N+](=O)[O-]	REAL300012088571	0	48	0.0	-63.94	402.11	12.51	-51.43
COC1=CC=C(C)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088572	0	48	0.0	-38.04	389.42	10.88	-27.16
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1F	REAL300012088573	0	45	0.0	-68.57	369.96	9.87	-58.70
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCC(C(F)(F)F)CC2)C=C1[N+](=O)[O-]	REAL300012088574	0	50	0.0	-47.78	388.64	11.76	-36.02
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCOC(C(C)C)C2)C=C1[N+](=O)[O-]	REAL300012088575	0	54	0.0	-65.02	404.96	10.54	-54.48
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCC(C)(C)CC2)C=C1[N+](=O)[O-]	REAL300012088576	0	53	0.0	-62.67	389.44	11.73	-50.94
CCSC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088577	0	48	0.0	-61.03	395.40	12.36	-48.67
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(O)C=CC(Cl)=C2F)C=C1[N+](=O)[O-]	REAL300012088578	1	42	0.0	-37.98	368.27	8.48	-29.50
COC1(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)CCCCC1	REAL300012088579	0	51	0.0	-57.16	375.80	9.85	-47.31
CCN1N=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C2=CC=CC=C21	REAL300012088580	1	50	0.0	-40.71	411.52	11.65	-29.06
COCCC1(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)CCCCC1	REAL300012088581	0	57	0.0	-59.56	411.77	10.70	-48.86
CCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088582	0	51	0.0	-43.82	409.95	11.76	-32.06
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3O2)C=C1[N+](=O)[O-]	REAL300012088583	0	44	0.0	-47.32	364.97	11.26	-36.06
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C=C1[N+](=O)[O-]	REAL300012088584	0	48	0.0	-41.88	400.02	12.75	-29.13
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300012088585	0	46	0.0	-70.81	381.18	11.81	-59.00
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(C)C)C=C2)C=C1[N+](=O)[O-]	REAL300012088586	0	51	0.0	-45.01	406.38	11.59	-33.42
CC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CC=C1F	REAL300012088587	0	44	0.0	-46.44	363.76	11.44	-35.00
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3NC=CC3=CC=C2)C=C1[N+](=O)[O-]	REAL300012088588	0	45	0.0	-43.46	368.64	10.77	-32.69
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Br)C=CS2)C=C1[N+](=O)[O-]	REAL300012088589	0	38	0.0	-40.48	349.51	10.52	-29.96
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2N2CCOCC2)C=C1[N+](=O)[O-]	REAL300012088590	0	54	0.0	-37.76	418.51	10.17	-27.59
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CC(C)C)C=C2)C=C1[N+](=O)[O-]	REAL300012088591	0	53	0.0	-41.79	421.03	13.57	-28.22
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300012088592	0	47	0.0	-61.96	392.56	11.48	-50.48
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C=C1[N+](=O)[O-]	REAL300012088593	0	41	0.0	-65.52	369.78	11.61	-53.91
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC(Cl)=C2)C=C1[N+](=O)[O-]	REAL300012088594	0	41	0.0	-65.92	357.38	11.08	-54.84
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=CC=C2C)C=C1[N+](=O)[O-]	REAL300012088595	0	47	0.0	-57.06	366.96	11.57	-45.49
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Br)=CO2)C=C1[N+](=O)[O-]	REAL300012088596	1	38	0.0	-43.58	339.82	9.54	-34.04
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC(F)F)=C2)C=C1[N+](=O)[O-]	REAL300012088597	0	45	0.0	-64.47	372.97	10.07	-54.40
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=C2F)C=C1[N+](=O)[O-]	REAL300012088598	0	41	0.0	-39.19	362.16	11.41	-27.78
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C=C1[N+](=O)[O-]	REAL300012088599	0	45	0.0	-64.38	379.71	10.29	-54.09
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC=C2F)C=C1[N+](=O)[O-]	REAL300012088600	0	41	0.0	-39.37	362.16	11.40	-27.97
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC(F)=C2)C=C1[N+](=O)[O-]	REAL300012088601	0	41	0.0	-67.22	349.14	10.74	-56.48
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(Cl)=C2F)C=C1[N+](=O)[O-]	REAL300012088602	0	41	0.0	-60.64	357.83	11.14	-49.50
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C2=CC=CC=C12	REAL300012088603	0	51	0.0	-45.85	409.51	12.33	-33.52
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C=C1[N+](=O)[O-]	REAL300012088604	0	48	0.0	-40.61	389.39	10.73	-29.88
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NNC=C2C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012088604	1	48	0.0	-39.56	392.53	10.80	-28.76
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2F)C=C1[N+](=O)[O-]	REAL300012088605	1	41	0.0	-61.59	347.93	10.69	-50.90
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=CC=CC=C3N2C)C=C1[N+](=O)[O-]	REAL300012088606	1	47	0.0	-52.69	383.78	11.13	-41.56
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=N1	REAL300012088607	0	44	0.0	-65.92	361.23	7.20	-58.72
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OCCC3=C2)C=C1[N+](=O)[O-]	REAL300012088608	0	46	0.0	-64.38	370.07	10.34	-54.04
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(Br)=C2)C=C1[N+](=O)[O-]	REAL300012088609	0	38	0.0	-62.95	345.37	10.17	-52.78
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C=C1[N+](=O)[O-]	REAL300012088610	0	51	0.0	-62.42	407.93	13.91	-48.51
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3CCCC3)N=C2)C=C1[N+](=O)[O-]	REAL300012088611	0	52	0.0	-63.84	408.10	10.41	-53.43
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3C=CNC3=CC=C2)C=C1[N+](=O)[O-]	REAL300012088612	0	45	0.0	-43.24	368.46	10.79	-32.45
CC1=CC(F)=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088613	0	44	0.0	-43.85	356.98	11.38	-32.47
CC1=NC(C)=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)S1	REAL300012088614	0	43	0.0	-41.96	365.64	9.35	-32.61
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C=C1[N+](=O)[O-]	REAL300012088615	0	50	0.0	-61.79	405.38	12.39	-49.40
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C=C1[N+](=O)[O-]	REAL300012088616	0	50	0.0	-45.47	406.26	12.38	-33.09
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C=C1[N+](=O)[O-]	REAL300012088617	0	50	0.0	-48.35	406.45	12.40	-35.95
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088618	0	56	0.0	-61.93	427.43	11.04	-50.89
CNC(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088619	0	48	0.0	-49.84	393.56	9.02	-40.82
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C=C1[N+](=O)[O-]	REAL300012088620	0	48	0.0	-67.96	398.70	11.78	-56.18
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3C=C2)C=C1[N+](=O)[O-]	REAL300012088621	0	47	0.0	-45.68	385.75	13.10	-32.58
COC1=C2OC(C[NH2+]C(CC(=O)[O-])C3=CC=C(C)C([N+](=O)[O-])=C3)=CC2=CC=C1	REAL300012088622	0	48	0.0	-50.69	394.47	10.55	-40.14
COC1=CC(OC)=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088623	0	49	0.0	-63.09	395.31	9.21	-53.88
COC1=CC2=CC=C(C[NH2+]C(CC(=O)[O-])C3=CC=C(C)C([N+](=O)[O-])=C3)C=C2C=C1	REAL300012088624	0	51	0.0	-49.20	415.10	12.40	-36.80
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Br)=CS2)C=C1[N+](=O)[O-]	REAL300012088626	0	38	0.0	-42.58	351.58	10.59	-31.99
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3NC2=O)C=C1[N+](=O)[O-]	REAL300012088627	0	47	0.0	-61.93	387.08	9.68	-52.25
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3CCCCC3)C=C2)C=C1[N+](=O)[O-]	REAL300012088629	0	56	0.0	-42.90	430.03	12.02	-30.88
COC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CC=C1SC	REAL300012088630	0	49	0.0	-47.13	405.95	11.09	-36.04
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OCCCC#N)=C2)C=C1[N+](=O)[O-]	REAL300012088631	0	52	0.0	-68.69	427.42	12.04	-56.65
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C=C1[N+](=O)[O-]	REAL300012088632	0	48	0.0	-68.04	396.12	10.54	-57.50
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C=C1[N+](=O)[O-]	REAL300012088634	1	47	0.0	-40.17	400.19	11.51	-28.66
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3C(=C2)N=CN3C)C=C1[N+](=O)[O-]	REAL300012088635	0	47	0.0	-45.84	388.03	12.19	-33.65
CCN1N=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1C	REAL300012088636	0	50	0.0	-62.14	396.12	10.10	-52.04
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C=C1[N+](=O)[O-]	REAL300012088637	0	47	0.0	-45.15	404.98	11.92	-33.23
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C=C1[N+](=O)[O-]	REAL300012088638	0	52	0.0	-65.33	413.73	11.85	-53.48
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=COC(C3=CC=CC=C3)=N2)C=C1[N+](=O)[O-]	REAL300012088639	1	47	0.0	-41.29	394.03	9.20	-32.09
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088640	0	51	0.0	-49.68	410.21	11.35	-38.33
CC1=CC=C(F)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088641	0	44	0.0	-44.76	365.90	11.58	-33.18
CC1=CC=C(F)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088642	0	44	0.0	-44.82	356.98	11.38	-33.44
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CN=C2C)C=C1[N+](=O)[O-]	REAL300012088643	0	43	0.0	-62.98	346.70	9.42	-53.56
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OCC(C)C)C=C2)C=C1[N+](=O)[O-]	REAL300012088644	0	54	0.0	-43.63	430.05	12.46	-31.17
COCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088645	0	52	0.0	-45.74	422.07	10.23	-35.51
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCCC(C)(C)C2)C=C1[N+](=O)[O-]	REAL300012088646	0	53	0.0	-41.42	391.95	11.96	-29.46
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2C(C)=CCCC2C)C=C1[N+](=O)[O-]	REAL300012088647	0	51	0.0	-58.54	378.91	12.18	-46.36
COC1=CC2=C(C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1)OCO2	REAL300012088648	0	48	0.0	-45.35	391.41	8.78	-36.57
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=CC3=CC=CC=C32)C=C1[N+](=O)[O-]	REAL300012088649	0	46	0.0	-45.13	372.44	11.09	-34.04
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OCC(C)C)=C2)C=C1[N+](=O)[O-]	REAL300012088650	0	54	0.0	-60.62	426.68	12.22	-48.40
CC1=CC(Cl)=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088651	0	44	0.0	-43.02	367.31	11.83	-31.19
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=CC=C(F)C=C2)C=C1[N+](=O)[O-]	REAL300012088652	0	45	0.0	-67.27	371.16	11.87	-55.40
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)N=C2)C=C1[N+](=O)[O-]	REAL300012088653	0	40	0.0	-67.86	345.89	9.14	-58.72
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=CC(Br)=C2)C=C1[N+](=O)[O-]	REAL300012088654	0	40	0.0	-47.27	353.53	9.59	-37.68
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3C(=C2)N=NN3C)C=C1[N+](=O)[O-]	REAL300012088655	0	46	0.0	-73.47	378.22	8.95	-64.52
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCCCCC2)C=C1[N+](=O)[O-]	REAL300012088656	0	50	0.0	-41.06	369.51	11.52	-29.54
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C=C1[N+](=O)[O-]	REAL300012088657	0	52	0.0	-44.31	414.56	11.98	-32.33
COC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=N1	REAL300012088658	1	44	0.0	-39.54	364.29	7.46	-32.08
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012088659	0	51	0.0	-49.83	411.80	11.98	-37.85
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C=C1[N+](=O)[O-]	REAL300012088660	0	48	0.0	-42.89	398.00	12.04	-30.85
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C(C)C)N=C2)C=C1[N+](=O)[O-]	REAL300012088661	0	47	0.0	-63.32	376.49	9.69	-53.63
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3N=C(C)C=CC3=C2)C=C1[N+](=O)[O-]	REAL300012088662	0	49	0.0	-67.41	396.42	11.48	-55.93
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CC=C2C(F)(F)F)C=C1[N+](=O)[O-]	REAL300012088663	1	43	0.0	-40.37	359.48	9.76	-30.61
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=NC=N3)C(C)=C2)C=C1[N+](=O)[O-]	REAL300012088664	0	50	0.0	-52.56	411.29	14.30	-38.26
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC(F)=CC=C3O2)C=C1[N+](=O)[O-]	REAL300012088665	0	44	0.0	-43.70	374.13	11.48	-32.22
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OCC(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300012088666	0	48	0.0	-47.69	401.46	11.28	-36.41
COCC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088667	0	48	0.0	-43.54	392.09	10.46	-33.08
CCCCOC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088668	0	54	0.0	-37.43	432.74	12.70	-24.73
COC1=CC(C)=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1OC	REAL300012088669	0	52	0.0	-46.22	409.24	10.50	-35.72
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CSC=C2)C=C1[N+](=O)[O-]	REAL300012088670	0	45	0.0	-48.54	375.73	9.59	-38.95
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=C(CC(C)CC3)S2)C=C1[N+](=O)[O-]	REAL300012088671	1	50	0.0	-44.18	406.69	11.12	-33.06
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCC(C(C)(C)C)CC2)C=C1[N+](=O)[O-]	REAL300012088672	0	59	0.0	-42.12	420.13	12.88	-29.24
CC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C(C)O1	REAL300012088673	0	44	0.0	-44.36	359.89	10.41	-33.95
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OCC3CC3)C=C2)C=C1[N+](=O)[O-]	REAL300012088674	0	52	0.0	-44.94	422.87	12.69	-32.25
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(CC(C)C)S2)C=C1[N+](=O)[O-]	REAL300012088675	0	49	0.0	-43.04	406.35	10.85	-32.19
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=CC=C2F)C=C1[N+](=O)[O-]	REAL300012088676	0	48	0.0	-50.91	398.78	10.68	-40.23
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)OC3=CC=CC=C32)C=C1[N+](=O)[O-]	REAL300012088677	0	44	0.0	-38.77	381.24	11.70	-27.07
COCCOC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088678	0	52	0.0	-38.05	421.79	10.32	-27.73
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=C(CCC3)S2)C=C1[N+](=O)[O-]	REAL300012088679	1	44	0.0	-45.19	368.00	9.92	-35.27
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088680	0	45	0.0	-44.27	366.59	10.04	-34.23
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)C=C1[N+](=O)[O-]	REAL300012088681	0	48	0.0	-43.13	406.42	12.82	-30.31
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)O1	REAL300012088682	0	41	0.0	-44.87	342.30	9.81	-35.06
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012088683	0	41	0.0	-60.07	333.71	10.50	-49.57
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C(C)(C)C)S2)C=C1[N+](=O)[O-]	REAL300012088684	0	49	0.0	-42.97	406.79	10.68	-32.29
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OCCOC3=C2)C=C1[N+](=O)[O-]	REAL300012088685	0	47	0.0	-65.40	378.74	9.66	-55.74
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(Br)=C2)C=C1[N+](=O)[O-]	REAL300012088686	0	41	0.0	-62.54	355.01	11.12	-51.42
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(Cl)=C2)C=C1[N+](=O)[O-]	REAL300012088687	0	41	0.0	-62.52	350.44	11.01	-51.51
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3=CC=CC=C3)N=C2)C=C1[N+](=O)[O-]	REAL300012088688	0	48	0.0	-66.23	392.29	11.71	-54.52
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C(C)(C)C)N=C2)C=C1[N+](=O)[O-]	REAL300012088689	0	50	0.0	-62.94	396.22	10.32	-52.62
CC1=CC(C)=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088690	0	47	0.0	-59.95	377.00	11.82	-48.13
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CO)O2)C=C1[N+](=O)[O-]	REAL300012088691	1	42	0.0	-47.03	351.16	6.36	-40.67
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CS2)C=C1[N+](=O)[O-]	REAL300012088692	0	38	0.0	-43.07	330.10	9.97	-33.10
CC(=O)NC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088693	0	48	0.0	-46.09	393.21	9.63	-36.46
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2Cl)C=C1[N+](=O)[O-]	REAL300012088694	0	41	0.0	-43.26	351.78	11.33	-31.93
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC([N+](=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300012088695	0	43	0.0	-71.98	361.93	11.17	-60.81
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C([N+](=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300012088696	0	43	0.0	-53.97	365.31	11.41	-42.56
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=CC=CC=C32)C=C1[N+](=O)[O-]	REAL300012088697	0	47	0.0	-43.42	380.79	13.01	-30.41
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N(C)C)C=C2)C=C1[N+](=O)[O-]	REAL300012088698	0	49	0.0	-42.35	391.35	11.29	-31.06
CCN(CC)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088699	0	55	0.0	-41.92	432.22	13.04	-28.88
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Br)C=C2)C=C1[N+](=O)[O-]	REAL300012088700	0	41	0.0	-45.17	358.38	11.36	-33.81
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=C2)C=C1[N+](=O)[O-]	REAL300012088701	0	41	0.0	-45.14	353.82	11.26	-33.88
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=CC=C2Cl)C=C1[N+](=O)[O-]	REAL300012088702	1	41	0.0	-37.92	359.04	11.29	-26.63
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C=C2)C=C1[N+](=O)[O-]	REAL300012088703	0	41	0.0	-46.00	343.50	10.80	-35.20
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OC(F)F)C=C1[N+](=O)[O-]	REAL300012088704	0	45	0.0	-42.56	377.73	10.50	-32.06
COC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1OC	REAL300012088705	0	49	0.0	-47.77	398.77	10.13	-37.64
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=C2Cl)C=C1[N+](=O)[O-]	REAL300012088706	0	41	0.0	-37.08	367.72	11.79	-25.29
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3CCOCC3)C=C2)C=C1[N+](=O)[O-]	REAL300012088707	0	54	0.0	-44.47	421.13	9.63	-34.84
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1OC	REAL300012088708	0	49	0.0	-47.49	395.78	9.94	-37.55
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(OC)=C1	REAL300012088709	0	49	0.0	-39.74	397.47	9.50	-30.24
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(F)(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300012088710	0	44	0.0	-47.21	375.82	11.74	-35.47
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C=C2F)C=C1[N+](=O)[O-]	REAL300012088711	1	41	0.0	-39.77	351.84	10.96	-28.81
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(Cl)=C2Cl)C=C1[N+](=O)[O-]	REAL300012088712	0	41	0.0	-57.86	363.96	11.53	-46.33
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(Cl)=C2)C=C1[N+](=O)[O-]	REAL300012088713	0	41	0.0	-67.51	366.15	11.47	-56.04
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CC=CCC2)C=C1[N+](=O)[O-]	REAL300012088714	0	45	0.0	-42.74	350.67	10.97	-31.77
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300012088715	0	45	0.0	-45.04	379.09	10.46	-34.58
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C(F)(F)F)C=C1[N+](=O)[O-]	REAL300012088716	0	44	0.0	-34.13	363.72	11.63	-22.50
CCCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088717	0	54	0.0	-43.90	431.44	12.54	-31.36
COC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088718	0	45	0.0	-61.22	363.22	9.80	-51.42
CC(=CC1=CC=CC=C1)C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088719	0	48	0.0	-43.62	383.90	12.53	-31.09
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1OC	REAL300012088720	0	52	0.0	-47.28	417.63	10.86	-36.42
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(C)C)C=C2)C=C1[N+](=O)[O-]	REAL300012088721	0	50	0.0	-42.13	397.31	12.67	-29.46
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(F)(F)F)=C2)C=C1[N+](=O)[O-]	REAL300012088722	0	44	0.0	-64.79	372.44	11.49	-53.30
CCOC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088723	0	48	0.0	-37.58	389.76	11.14	-26.44
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088724	0	48	0.0	-44.05	388.45	10.96	-33.09
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2F)C=C1[N+](=O)[O-]	REAL300012088725	0	41	0.0	-45.47	344.55	10.90	-34.57
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2)C=C1[N+](=O)[O-]	REAL300012088726	0	41	0.0	-63.42	340.12	10.57	-52.85
COC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088727	0	45	0.0	-38.16	367.96	10.22	-27.94
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)SC=C1	REAL300012088728	0	41	0.0	-42.38	346.70	10.50	-31.88
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C=C1[N+](=O)[O-]	REAL300012088729	0	51	0.0	-44.64	414.05	14.30	-30.34
CC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088730	0	44	0.0	-40.71	350.58	11.32	-29.39
COC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300012088731	0	51	0.0	-41.01	405.77	12.17	-28.84
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088732	0	44	0.0	-42.29	358.49	11.41	-30.88
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C#N)C=C2)C=C1[N+](=O)[O-]	REAL300012088733	0	42	0.0	-50.86	357.94	11.13	-39.73
CSC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088734	0	45	0.0	-44.04	377.30	11.76	-32.28
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C=CC=C2Cl)C=C1[N+](=O)[O-]	REAL300012088735	1	41	0.0	-53.86	362.34	11.33	-42.53
CC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088736	0	44	0.0	-59.96	355.12	11.17	-48.79
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC=C2)C=C1[N+](=O)[O-]	REAL300012088737	0	38	0.0	-60.98	324.22	9.44	-51.54
CCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088738	0	47	0.0	-42.21	379.98	12.18	-30.03
CC1=CC(C)=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C)=C1	REAL300012088739	0	50	0.0	-40.13	387.93	12.33	-27.80
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=CC=C2F)C=C1[N+](=O)[O-]	REAL300012088740	1	41	0.0	-57.13	344.86	10.55	-46.58
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(F)=C2)C=C1[N+](=O)[O-]	REAL300012088741	0	41	0.0	-70.24	346.94	10.62	-59.62
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)S1	REAL300012088742	0	41	0.0	-39.71	351.84	10.77	-28.94
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2Br)C=C1[N+](=O)[O-]	REAL300012088743	1	41	0.0	-42.58	355.34	11.44	-31.14
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1O	REAL300012088744	0	46	0.0	-45.84	377.29	7.88	-37.96
CC1=NN(C)C(C)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088745	0	47	0.0	-62.35	374.31	9.23	-53.12
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088746	1	44	0.0	-58.09	375.12	9.26	-48.83
CCC1=NN(C)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088747	0	47	0.0	-46.70	381.01	9.92	-36.78
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CC(F)(F)F)N=C2)C=C1[N+](=O)[O-]	REAL300012088748	0	44	0.0	-70.49	375.68	9.67	-60.82
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C(C)(C)C)C=C1[N+](=O)[O-]	REAL300012088749	0	53	0.0	-40.61	405.73	10.70	-29.91
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CN=C2)C=C1[N+](=O)[O-]	REAL300012088750	0	40	0.0	-64.30	329.01	8.72	-55.58
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CO2)C=C1[N+](=O)[O-]	REAL300012088751	1	38	0.0	-43.74	317.84	8.88	-34.86
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NC=C2)C=C1[N+](=O)[O-]	REAL300012088752	0	40	0.0	-46.35	331.96	8.98	-37.37
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)O2)C=C1[N+](=O)[O-]	REAL300012088753	1	38	0.0	-62.66	334.78	9.36	-53.30
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N(C)CCC#N)C=C2)C=C1[N+](=O)[O-]	REAL300012088754	0	53	0.0	-48.19	431.26	12.59	-35.60
CCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1OC	REAL300012088755	0	52	0.0	-47.72	420.62	11.05	-36.67
C#CCOC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088756	0	47	0.0	-37.00	395.42	11.71	-25.29
CC1=NOC(C)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088757	0	43	0.0	-47.79	352.26	9.44	-38.35
CC1=NC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CS1	REAL300012088758	1	40	0.0	-58.79	340.02	8.21	-50.58
COC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CC2=C1OCO2	REAL300012088759	0	48	0.0	-52.98	392.62	8.68	-44.30
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2)C=C1[N+](=O)[O-]	REAL300012088761	0	41	0.0	-64.64	336.27	8.30	-56.34
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1C	REAL300012088762	0	48	0.0	-63.24	383.81	10.54	-52.70
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C(C)(C)C)C=C1[N+](=O)[O-]	REAL300012088763	0	50	0.0	-40.60	382.80	9.38	-31.22
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CN2)C=C1[N+](=O)[O-]	REAL300012088764	1	38	0.0	-48.67	316.51	7.46	-41.21
COC1=CC=CC(OC)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088765	1	49	0.0	-54.32	390.54	9.23	-45.09
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CN2C)C=C1[N+](=O)[O-]	REAL300012088766	1	41	0.0	-50.41	337.03	9.14	-41.27
COC1=CC=C(F)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088767	0	45	0.0	-43.88	373.98	10.19	-33.69
CSC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)S1	REAL300012088768	0	42	0.0	-41.69	373.25	11.19	-30.50
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OCO3)C=C1[N+](=O)[O-]	REAL300012088769	0	44	0.0	-49.11	363.28	9.41	-39.70
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=CN=C2)C=C1[N+](=O)[O-]	REAL300012088770	0	39	0.0	-47.39	326.78	8.81	-38.58
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C=CS2)C=C1[N+](=O)[O-]	REAL300012088771	0	38	0.0	-40.75	345.34	10.42	-30.33
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C=C1[N+](=O)[O-]	REAL300012088772	0	47	0.0	-53.35	397.79	8.26	-45.09
COC1=CC=C(F)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088773	0	45	0.0	-41.54	374.41	10.28	-31.26
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NNC=C2)C=C1[N+](=O)[O-]	REAL300012088774	1	38	0.0	-45.59	317.00	7.14	-38.45
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(N)=O)C=C2)C=C1[N+](=O)[O-]	REAL300012088775	0	45	0.0	-49.68	371.63	7.52	-42.16
COC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CC=C1F	REAL300012088776	0	45	0.0	-49.40	372.76	10.11	-39.29
COC1=CC=C(Cl)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088777	0	45	0.0	-40.72	384.74	10.72	-30.00
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=CS2)C=C1[N+](=O)[O-]	REAL300012088778	0	37	0.0	-62.88	321.47	7.87	-55.01
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=CN2C)C=C1[N+](=O)[O-]	REAL300012088779	0	41	0.0	-49.46	339.89	10.01	-39.45
COC(=O)C1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CN1C	REAL300012088780	0	48	0.0	-67.00	393.14	10.69	-56.31
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1Cl	REAL300012088781	0	44	0.0	-62.57	369.69	11.61	-50.96
COC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CC=C1C	REAL300012088782	0	48	0.0	-44.84	386.61	10.79	-34.05
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C)=C2F)C=C1[N+](=O)[O-]	REAL300012088784	0	44	0.0	-45.27	365.71	11.54	-33.73
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C#N)C=C2F)C=C1[N+](=O)[O-]	REAL300012088785	1	42	0.0	-44.47	366.25	11.27	-33.20
CC1=NNC(C)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088786	0	44	0.0	-42.68	354.81	8.16	-34.52
CC1=NNC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088787	0	41	0.0	-45.21	337.66	7.88	-37.33
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C)C=C1[N+](=O)[O-]	REAL300012088788	0	41	0.0	-45.63	340.50	8.43	-37.20
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Br)C=N2)C=C1[N+](=O)[O-]	REAL300012088789	1	40	0.0	-39.94	356.06	9.64	-30.30
C#CCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088790	0	50	0.0	-45.23	415.73	12.29	-32.94
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN3C=CC=CC3=N2)C=C1[N+](=O)[O-]	REAL300012088791	1	44	0.0	-60.63	360.89	11.01	-49.62
CC1=NN(C)C2=NC=C(C[NH2+]C(CC(=O)[O-])C3=CC=C(C)C([N+](=O)[O-])=C3)C=C12	REAL300012088792	0	49	0.0	-71.86	400.46	10.22	-61.64
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C=C1[N+](=O)[O-]	REAL300012088795	1	44	0.0	-61.86	377.16	11.51	-50.35
CC1=NN(C)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088796	0	44	0.0	-45.19	360.63	9.19	-36.00
CCN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=N1	REAL300012088797	0	44	0.0	-64.41	357.81	9.17	-55.24
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(N)=O)=C2)C=C1[N+](=O)[O-]	REAL300012088799	0	45	0.0	-66.86	368.26	7.27	-59.59
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C)C=C2)C=C1[N+](=O)[O-]	REAL300012088800	1	41	0.0	-40.15	340.24	8.48	-31.67
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CN2CC(F)(F)F)C=C1[N+](=O)[O-]	REAL300012088801	1	44	0.0	-44.56	370.65	10.44	-34.12
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCCCCCC2)C=C1[N+](=O)[O-]	REAL300012088802	0	53	0.0	-41.94	380.31	11.88	-30.06
CC1=CSC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=N1	REAL300012088803	1	40	0.0	-38.75	343.61	8.47	-30.28
COC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1F	REAL300012088804	0	45	0.0	-49.41	374.71	10.21	-39.20
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3CCCC3=C2)C=C1[N+](=O)[O-]	REAL300012088805	0	48	0.0	-60.30	379.23	12.41	-47.89
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC=C2Br)C=C1[N+](=O)[O-]	REAL300012088806	1	38	0.0	-58.59	344.67	10.10	-48.49
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OCC(C)C)C=C1[N+](=O)[O-]	REAL300012088808	0	54	0.0	-37.19	431.00	12.62	-24.57
CCN1N=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088809	0	44	0.0	-43.81	357.61	9.37	-34.44
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=C(CCCC3)S2)C=C1[N+](=O)[O-]	REAL300012088810	1	47	0.0	-44.43	385.89	10.51	-33.92
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=NC=C3C=C2)C=C1[N+](=O)[O-]	REAL300012088811	0	46	0.0	-66.95	374.72	10.98	-55.97
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)SC=N1	REAL300012088812	0	40	0.0	-43.45	341.44	8.53	-34.92
COC1=CC(F)=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088813	0	45	0.0	-45.42	372.95	10.10	-35.32
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C(C)(C)C)N=C2)C=C1[N+](=O)[O-]	REAL300012088814	0	51	0.0	-48.10	408.99	10.73	-37.37
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=CS1	REAL300012088815	0	41	0.0	-58.78	340.76	10.20	-48.58
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(S(C)=O)C=C2)C=C1[N+](=O)[O-]	REAL300012088816	0	46	0.0	-50.21	389.30	9.33	-40.88
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3CCCCC3=C2)C=C1[N+](=O)[O-]	REAL300012088817	0	51	0.0	-43.13	402.33	13.34	-29.79
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C#N)=N2)C=C1[N+](=O)[O-]	REAL300012088818	1	41	0.0	-42.83	353.05	9.27	-33.56
COC(=O)C1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CN1	REAL300012088819	0	45	0.0	-67.78	375.38	8.93	-58.85
COCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)O1	REAL300012088820	1	45	0.0	-46.22	373.41	8.76	-37.46
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C)=C1OC	REAL300012088821	0	52	0.0	-46.47	413.63	10.78	-35.69
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(Cl)=C2Cl)C=C1[N+](=O)[O-]	REAL300012088822	1	38	0.0	-37.27	360.66	10.85	-26.42
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)N=C2C)C=C1[N+](=O)[O-]	REAL300012088823	0	43	0.0	-50.69	352.49	9.48	-41.21
COC1=CC(C)=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088824	0	48	0.0	-38.10	389.42	10.88	-27.22
CC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CS1	REAL300012088825	0	41	0.0	-60.18	345.58	10.25	-49.93
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)N=N1	REAL300012088826	1	42	0.0	-41.29	348.89	8.48	-32.81
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C(F)(F)F)S2)C=C1[N+](=O)[O-]	REAL300012088827	1	40	0.0	-48.57	366.02	9.30	-39.27
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=NN2C)C=C1[N+](=O)[O-]	REAL300012088828	1	40	0.0	-69.31	331.70	6.97	-62.34
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(S(C)(=O)=O)=C2)C=C1[N+](=O)[O-]	REAL300012088829	0	47	0.0	-49.77	397.72	8.25	-41.52
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CS2)C=C1[N+](=O)[O-]	REAL300012088830	0	38	0.0	-42.87	346.98	10.48	-32.39
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3CCCC3)C=C2)C=C1[N+](=O)[O-]	REAL300012088831	0	54	0.0	-42.07	421.26	13.95	-28.12
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)N(C)N=C1	REAL300012088832	0	44	0.0	-62.51	357.89	8.80	-53.71
CC1=CC(Cl)=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088833	0	44	0.0	-62.60	371.60	11.67	-50.93
COCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088834	0	48	0.0	-44.37	392.15	10.47	-33.90
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CN2C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012088835	1	48	0.0	-43.94	390.96	12.41	-31.53
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3CC3)C=C2)C=C1[N+](=O)[O-]	REAL300012088836	0	48	0.0	-42.63	386.31	12.84	-29.79
C=CN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=N1	REAL300012088838	0	42	0.0	-65.75	348.06	9.51	-56.24
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2CCCC2)C=C1[N+](=O)[O-]	REAL300012088839	0	51	0.0	-47.07	403.54	11.25	-35.82
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088840	0	51	0.0	-57.76	410.43	12.23	-45.53
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300012088841	0	44	0.0	-45.24	371.26	11.67	-33.57
COC1=CC(C)=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C)=N1	REAL300012088842	0	50	0.0	-62.20	394.42	8.24	-53.96
COC1=CC=CC(Cl)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088843	1	45	0.0	-35.56	377.32	10.44	-25.12
CCC1=CC(OC)=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088844	0	51	0.0	-41.37	398.99	11.29	-30.08
CC1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)N1C1=CC=CC=C1	REAL300012088845	0	51	0.0	-42.05	418.97	13.17	-28.88
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=NN1C	REAL300012088846	0	44	0.0	-48.48	357.64	9.06	-39.42
CCCN1N=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1C	REAL300012088847	0	53	0.0	-62.09	417.62	10.86	-51.23
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3CC3)N=C2)C=C1[N+](=O)[O-]	REAL300012088848	0	46	0.0	-67.24	375.97	10.14	-57.10
COCCN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=N1	REAL300012088849	0	48	0.0	-65.30	391.48	8.22	-57.08
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3CCC3)C=C2)C=C1[N+](=O)[O-]	REAL300012088850	0	51	0.0	-42.16	402.85	13.32	-28.84
COC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CC2=CC=CC=C21	REAL300012088851	0	51	0.0	-64.92	410.79	12.21	-52.71
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1F	REAL300012088852	0	48	0.0	-68.46	391.82	10.80	-57.66
COC1=CC=CC2=C(C[NH2+]C(CC(=O)[O-])C3=CC=C(C)C([N+](=O)[O-])=C3)C=CC=C12	REAL300012088853	0	51	0.0	-45.11	406.44	12.28	-32.83
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C#N)=CS2)C=C1[N+](=O)[O-]	REAL300012088854	0	39	0.0	-47.93	351.14	10.38	-37.55
COC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CC=C1C#N	REAL300012088855	0	46	0.0	-54.22	386.74	10.46	-43.76
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2=CC=CC=C2C)C=C1[N+](=O)[O-]	REAL300012088856	0	51	0.0	-58.90	411.25	12.47	-46.43
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C#N)C(C)=C2)C=C1[N+](=O)[O-]	REAL300012088858	0	45	0.0	-71.43	374.24	11.39	-60.04
CC1=CN=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)S1	REAL300012088859	1	40	0.0	-43.20	343.82	8.73	-34.47
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CC(C)C)N=C2)C=C1[N+](=O)[O-]	REAL300012088860	0	50	0.0	-63.47	399.12	10.70	-52.77
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C2CC2)C=C1[N+](=O)[O-]	REAL300012088861	0	48	0.0	-39.36	380.76	12.77	-26.59
CCC1=CN=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)S1	REAL300012088862	1	43	0.0	-38.05	365.27	9.46	-28.59
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3C(=C2)CCC(=O)N3C)C=C1[N+](=O)[O-]	REAL300012088863	0	52	0.0	-70.73	409.58	11.39	-59.34
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088864	0	48	0.0	-42.41	399.17	11.16	-31.25
CC1=NN(C(C)C)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088865	0	50	0.0	-44.20	400.85	10.58	-33.62
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3CCCC3)S2)C=C1[N+](=O)[O-]	REAL300012088866	0	50	0.0	-43.09	411.86	11.52	-31.57
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3CC3)S2)C=C1[N+](=O)[O-]	REAL300012088867	0	44	0.0	-62.32	374.64	10.26	-52.06
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C(C)C)S2)C=C1[N+](=O)[O-]	REAL300012088868	0	46	0.0	-43.21	388.92	10.20	-33.01
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3=CC=CO3)S2)C=C1[N+](=O)[O-]	REAL300012088869	0	44	0.0	-47.58	387.74	10.00	-37.58
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CN(C)N=C3)C=C2)C=C1[N+](=O)[O-]	REAL300012088870	0	51	0.0	-47.32	417.21	12.03	-35.29
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CC(F)F)N=C2)C=C1[N+](=O)[O-]	REAL300012088871	0	44	0.0	-69.20	369.65	9.50	-59.70
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(=O)N(C)C)N2)C=C1[N+](=O)[O-]	REAL300012088872	0	49	0.0	-50.92	396.46	9.03	-41.89
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C(N)=O)=CS2)C=C1[N+](=O)[O-]	REAL300012088873	0	42	0.0	-45.34	366.22	6.73	-38.61
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088874	0	53	0.0	-61.25	418.32	10.71	-50.54
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3CCC3)S2)C=C1[N+](=O)[O-]	REAL300012088875	0	47	0.0	-43.12	394.51	11.00	-32.12
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3CCCO3)S2)C=C1[N+](=O)[O-]	REAL300012088876	0	48	0.0	-46.36	401.11	9.00	-37.36
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Br)=NN2C)C=C1[N+](=O)[O-]	REAL300012088878	0	41	0.0	-46.50	362.28	8.95	-37.55
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088879	0	48	0.0	-47.71	407.50	11.74	-35.97
CCC1=CC=CC(F)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088880	0	47	0.0	-35.20	375.60	12.08	-23.12
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300012088881	1	41	0.0	-42.51	356.00	8.77	-33.74
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)C=C1[N+](=O)[O-]	REAL300012088882	0	48	0.0	-48.50	402.76	11.85	-36.65
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=C(C(C)C)S2)C=C1[N+](=O)[O-]	REAL300012088883	1	46	0.0	-42.66	385.26	10.09	-32.57
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=C(C(C)(C)C)S2)C=C1[N+](=O)[O-]	REAL300012088884	1	49	0.0	-43.81	403.70	10.56	-33.25
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C3CC3)N=CS2)C=C1[N+](=O)[O-]	REAL300012088885	0	44	0.0	-43.20	372.84	10.21	-32.99
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088886	0	51	0.0	-67.77	411.51	11.00	-56.77
COCCCN1N=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088887	0	51	0.0	-46.31	412.89	9.21	-37.10
CC1=CC(F)=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(Cl)=C1	REAL300012088888	1	44	0.0	-37.47	377.99	11.83	-25.64
CSCC1=CN=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)S1	REAL300012088889	1	44	0.0	-39.74	388.51	9.90	-29.84
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC=C2C(F)(F)F)C=C1[N+](=O)[O-]	REAL300012088890	0	41	0.0	-34.17	356.54	10.62	-23.55
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3CC3)=C2)C=C1[N+](=O)[O-]	REAL300012088892	0	48	0.0	-60.37	382.93	12.60	-47.77
CC1=NN(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088893	0	44	0.0	-45.77	362.44	9.01	-36.76
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C#N)C(F)=C2)C=C1[N+](=O)[O-]	REAL300012088894	0	42	0.0	-76.20	360.99	10.94	-65.26
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C=C1[N+](=O)[O-]	REAL300012088895	0	44	0.0	-70.49	373.84	9.60	-60.89
CC1=CC(F)=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(F)=C1	REAL300012088896	1	44	0.0	-38.58	369.13	11.47	-27.11
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)O1	REAL300012088897	0	51	0.0	-39.04	415.68	11.18	-27.86
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2CC(C)C)C=C1[N+](=O)[O-]	REAL300012088898	0	50	0.0	-43.92	402.65	10.84	-33.08
COC(=O)C1=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CN1	REAL300012088899	0	48	0.0	-68.69	394.44	9.63	-59.06
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(C)(C)C#N)C=C2)C=C1[N+](=O)[O-]	REAL300012088900	0	51	0.0	-46.70	413.71	12.69	-34.01
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C(C)C)C=C1[N+](=O)[O-]	REAL300012088901	0	50	0.0	-39.08	389.61	12.49	-26.59
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN3CCCCC3=C2)C=C1[N+](=O)[O-]	REAL300012088902	1	48	0.0	-38.54	384.43	10.21	-28.33
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=NN2C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012088903	0	47	0.0	-63.49	386.92	10.25	-53.24
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CN=CC=C3O2)C=C1[N+](=O)[O-]	REAL300012088904	0	43	0.0	-49.92	359.70	9.53	-40.39
COC1=CC(OC)=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1F	REAL300012088905	1	49	0.0	-63.39	400.53	9.34	-54.05
COC1=CC(F)=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1OC	REAL300012088906	1	49	0.0	-48.17	403.23	10.10	-38.07
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(Cl)=C1	REAL300012088907	0	44	0.0	-35.14	372.41	11.94	-23.20
CCC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088908	0	47	0.0	-60.59	377.12	11.93	-48.66
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(F)=C1	REAL300012088909	0	45	0.0	-47.98	374.90	10.19	-37.79
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2CCC3)C=C1[N+](=O)[O-]	REAL300012088910	0	48	0.0	-40.90	384.04	12.69	-28.21
COC1=CC=CC(F)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088911	1	45	0.0	-36.89	370.57	10.13	-26.76
CCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C)=C1	REAL300012088912	0	54	0.0	-42.13	423.40	12.34	-29.79
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=NC=C3S2)C=C1[N+](=O)[O-]	REAL300012088913	0	43	0.0	-49.34	369.15	10.50	-38.84
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3CCCN3N=C2)C=C1[N+](=O)[O-]	REAL300012088914	0	45	0.0	-42.91	363.40	9.38	-33.53
CCC1=C2OC(C[NH2+]C(CC(=O)[O-])C3=CC=C(C)C([N+](=O)[O-])=C3)=CC2=CC=C1	REAL300012088915	0	50	0.0	-46.98	407.87	12.69	-34.29
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2CC2CC2)C=C1[N+](=O)[O-]	REAL300012088917	0	48	0.0	-58.79	382.93	10.53	-48.26
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC3CC3)=C2F)C=C1[N+](=O)[O-]	REAL300012088918	0	49	0.0	-38.44	405.62	11.85	-26.59
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C)=C1	REAL300012088919	0	51	0.0	-43.13	403.03	11.62	-31.51
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2OC(F)F)C=C1[N+](=O)[O-]	REAL300012088920	0	45	0.0	-49.03	384.37	10.57	-38.46
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC=C2OC(F)F)C=C1[N+](=O)[O-]	REAL300012088921	0	45	0.0	-45.45	384.16	10.56	-34.89
COC1=NC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088922	1	44	0.0	-47.07	363.00	7.56	-39.51
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3CCCC3)=C2)C=C1[N+](=O)[O-]	REAL300012088923	0	54	0.0	-59.91	417.94	13.71	-46.20
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2=CN(C)N=C2)C=C1[N+](=O)[O-]	REAL300012088924	0	51	0.0	-50.54	417.67	9.81	-40.73
COCC1=CSC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088925	0	45	0.0	-43.79	385.41	9.70	-34.09
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(C(F)(F)F)=C2)C=C1[N+](=O)[O-]	REAL300012088927	0	41	0.0	-66.20	364.32	10.64	-55.56
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(F)(F)F)O2)C=C1[N+](=O)[O-]	REAL300012088928	1	41	0.0	-50.66	361.56	10.21	-40.45
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C(F)(F)F)SC=C2)C=C1[N+](=O)[O-]	REAL300012088929	0	41	0.0	-57.07	353.08	10.55	-46.52
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(F)=C2N(C)C)C=C1[N+](=O)[O-]	REAL300012088930	0	49	0.0	-42.31	399.79	10.89	-31.42
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=CC(F)=C2Cl)C=C1[N+](=O)[O-]	REAL300012088931	1	41	0.0	-41.00	362.31	11.23	-29.77
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=C(N(C)C)C=C2F)C=C1[N+](=O)[O-]	REAL300012088932	0	49	0.0	-45.89	405.38	10.43	-35.46
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(F)=C2F)C=C1[N+](=O)[O-]	REAL300012088933	1	41	0.0	-54.99	357.12	11.03	-43.96
CCCN1N=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088934	0	47	0.0	-43.45	379.23	10.15	-33.30
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C(F)(F)F)=NN2C)C=C1[N+](=O)[O-]	REAL300012088935	0	44	0.0	-48.20	381.87	9.41	-38.79
CCCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)S1	REAL300012088936	0	47	0.0	-38.70	394.90	12.35	-26.35
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C=C1[N+](=O)[O-]	REAL300012088937	0	48	0.0	-45.57	404.49	13.41	-32.16
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(C)C)=C2)C=C1[N+](=O)[O-]	REAL300012088938	0	50	0.0	-59.89	393.94	12.42	-47.47
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2Cl)C=C1[N+](=O)[O-]	REAL300012088939	1	41	0.0	-50.40	359.35	9.08	-41.32
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(CC3CCC3)=C2)C=C1[N+](=O)[O-]	REAL300012088940	0	54	0.0	-60.53	425.29	14.01	-46.52
COC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CC=C1Cl	REAL300012088941	0	45	0.0	-47.95	382.56	10.59	-37.36
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2CC2CCC2)C=C1[N+](=O)[O-]	REAL300012088942	0	51	0.0	-46.04	407.91	11.30	-34.74
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2CC(F)(F)F)C=C1[N+](=O)[O-]	REAL300012088944	0	47	0.0	-42.09	389.06	12.45	-29.64
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2Br)C=C1[N+](=O)[O-]	REAL300012088945	1	41	0.0	-49.37	363.39	9.15	-40.22
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(F)=C1	REAL300012088946	0	44	0.0	-37.05	366.84	11.57	-25.48
CC(=O)NC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088947	0	48	0.0	-69.86	389.71	9.41	-60.45
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C3C(=C2)C=NN3C)C=C1[N+](=O)[O-]	REAL300012088948	0	46	0.0	-71.43	378.48	9.62	-61.81
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300012088949	0	47	0.0	-45.24	398.08	12.52	-32.72
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3CCCCC3=NN2C)C=C1[N+](=O)[O-]	REAL300012088950	0	51	0.0	-63.02	397.65	10.48	-52.54
CC1=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CS1	REAL300012088951	0	44	0.0	-41.40	363.50	11.08	-30.32
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(Cl)C(F)=C2)C=C1[N+](=O)[O-]	REAL300012088952	0	40	0.0	-70.98	351.31	9.20	-61.78
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Br)SC=C2)C=C1[N+](=O)[O-]	REAL300012088953	1	38	0.0	-35.05	344.18	10.38	-24.67
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C3=CC=CC=C23)C=C1[N+](=O)[O-]	REAL300012088954	0	47	0.0	-46.79	386.72	13.01	-33.78
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CN=C2Br)C=C1[N+](=O)[O-]	REAL300012088955	1	40	0.0	-36.68	342.90	9.28	-27.40
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC=C2OC(C)C)C=C1[N+](=O)[O-]	REAL300012088956	0	51	0.0	-39.84	414.55	11.88	-27.96
CCOC1=CC(F)=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088957	0	48	0.0	-64.18	392.00	10.79	-53.39
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)F)C=C2F)C=C1[N+](=O)[O-]	REAL300012088958	0	45	0.0	-41.03	384.68	10.46	-30.57
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C=C1[N+](=O)[O-]	REAL300012088959	0	54	0.0	-60.51	414.25	11.65	-48.86
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(Cl)=C2C)C=C1[N+](=O)[O-]	REAL300012088960	0	44	0.0	-41.42	364.69	11.72	-29.70
COC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C(F)C=C1C	REAL300012088961	0	48	0.0	-45.88	394.09	10.93	-34.95
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC(C(C)(C)C)=CS2)C=C1[N+](=O)[O-]	REAL300012088962	1	49	0.0	-43.42	402.70	10.52	-32.90
COCCC1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)S1	REAL300012088963	0	47	0.0	-45.02	401.80	8.67	-36.35
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC(F)=C2O)C=C1[N+](=O)[O-]	REAL300012088964	1	42	0.0	-47.79	362.14	8.23	-39.56
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3CSCCC3=NN2C)C=C1[N+](=O)[O-]	REAL300012088965	0	49	0.0	-48.16	398.66	10.30	-37.86
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2CCOC3)C=C1[N+](=O)[O-]	REAL300012088966	0	49	0.0	-44.48	383.99	10.69	-33.79
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OC(=O)OC3=C2)C=C1[N+](=O)[O-]	REAL300012088967	0	43	0.0	-76.95	362.00	11.05	-65.90
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=NC=CC=C23)C=C1[N+](=O)[O-]	REAL300012088968	0	46	0.0	-47.88	375.88	11.11	-36.77
CCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1C	REAL300012088969	0	54	0.0	-44.88	429.96	12.52	-32.36
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=NC=CN=C3C=C2)C=C1[N+](=O)[O-]	REAL300012088970	0	45	0.0	-51.82	373.08	9.16	-42.66
CCOC1=CC=CC(F)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012088971	1	48	0.0	-36.91	392.43	11.06	-25.85
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300012088972	0	46	0.0	-46.89	370.93	11.71	-35.18
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=CC([N+](=O)[O-])=C2C)C=C1[N+](=O)[O-]	REAL300012088973	0	49	0.0	-53.71	396.58	12.42	-41.29
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(F)=C1OC	REAL300012088974	1	49	0.0	-41.07	407.91	10.20	-30.87
COC(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(F)=C1	REAL300012088975	1	47	0.0	-43.20	400.21	11.55	-31.65
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OCC(F)F)C=C1[N+](=O)[O-]	REAL300012088976	0	48	0.0	-37.00	402.83	11.48	-25.52
CC1=COC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012088977	1	41	0.0	-59.88	339.62	9.43	-50.45
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=N2)C=C1[N+](=O)[O-]	REAL300012088978	1	40	0.0	-39.90	351.49	9.54	-30.36
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=C(C#N)C=C2C)C=C1[N+](=O)[O-]	REAL300012088979	0	48	0.0	-46.87	387.21	12.04	-34.83
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CCF)N=C2)C=C1[N+](=O)[O-]	REAL300012088981	0	44	0.0	-65.94	364.40	9.30	-56.64
CCCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012088983	0	50	0.0	-42.17	401.48	12.96	-29.21
CC1=C2C=C(C[NH2+]C(CC(=O)[O-])C3=CC=C(C)C([N+](=O)[O-])=C3)C=NC2=NN1	REAL300012088984	0	46	0.0	-74.65	376.53	9.01	-65.64
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CS2)C=C1[N+](=O)[O-]	REAL300012088985	1	37	0.0	-44.87	322.16	7.91	-36.96
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C)C3=CC=CC=C23)C=C1[N+](=O)[O-]	REAL300012088986	1	47	0.0	-41.18	387.32	10.68	-30.50
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3C=CC=CC3=NN2)C=C1[N+](=O)[O-]	REAL300012088987	0	44	0.0	-48.76	364.26	9.38	-39.38
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)N=C(Cl)N2C)C=C1[N+](=O)[O-]	REAL300012088988	1	41	0.0	-40.03	370.63	10.09	-29.94
CCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)S1	REAL300012088989	0	44	0.0	-58.62	367.83	11.18	-47.44
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CC3=CC=CC=C32)C=C1[N+](=O)[O-]	REAL300012088990	0	46	0.0	-38.28	374.86	11.08	-27.20
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)N2C=CC=CC2=N1	REAL300012088991	0	47	0.0	-50.69	387.02	11.83	-38.86
CCC1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)S1	REAL300012088992	0	43	0.0	-43.43	368.13	9.60	-33.83
COC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)SC=C1	REAL300012088993	0	42	0.0	-39.44	359.95	9.29	-30.15
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C=C1[N+](=O)[O-]	REAL300012088994	0	47	0.0	-47.36	393.21	8.97	-38.39
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC=C2Cl)C=C1[N+](=O)[O-]	REAL300012088995	1	38	0.0	-59.43	341.00	10.01	-49.42
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)S1	REAL300012088996	0	46	0.0	-43.41	394.22	10.04	-33.37
CCCC(C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1)C1=CC=CC=C1	REAL300012088997	0	53	0.0	-65.04	410.76	13.22	-51.82
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C=C1[N+](=O)[O-]	REAL300012088998	0	46	0.0	-38.07	390.85	11.68	-26.39
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CC3CCC2C3)C=C1[N+](=O)[O-]	REAL300012088999	0	48	0.0	-61.86	357.99	11.13	-50.73
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)N=C2)C=C1[N+](=O)[O-]	REAL300012089000	0	40	0.0	-69.15	335.44	8.66	-60.49
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(F)(F)F)S2)C=C1[N+](=O)[O-]	REAL300012089001	0	41	0.0	-43.54	370.60	11.17	-32.37
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2(C)CCC2)C=C1[N+](=O)[O-]	REAL300012089002	0	44	0.0	-59.77	338.50	10.17	-49.60
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2(C(F)F)CC2)C=C1[N+](=O)[O-]	REAL300012089003	0	41	0.0	-64.22	333.75	10.07	-54.15
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)NN=C1	REAL300012089004	1	41	0.0	-46.69	337.11	7.84	-38.85
CC1=CNN=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089004	1	41	0.0	-44.61	339.64	7.89	-36.72
CC1=CN=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)N1C	REAL300012089005	1	44	0.0	-38.84	357.68	9.61	-29.23
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCC(C(C)C)CC2)C=C1[N+](=O)[O-]	REAL300012089006	0	56	0.0	-42.10	407.22	12.60	-29.50
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089007	0	55	0.0	-65.10	432.29	12.11	-52.99
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C2=CC=NN2C)C=C1[N+](=O)[O-]	REAL300012089008	0	51	0.0	-47.76	408.88	11.58	-36.18
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CON=C2CC2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012089009	1	50	0.0	-52.52	403.09	12.34	-40.18
CCC1=NOC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089010	1	43	0.0	-65.32	350.88	9.26	-56.06
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)N(C)N=C2)C=C1[N+](=O)[O-]	REAL300012089011	1	41	0.0	-40.49	358.46	9.00	-31.49
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CN=C3O2)C=C1[N+](=O)[O-]	REAL300012089012	0	43	0.0	-44.86	359.86	8.21	-36.65
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NC=C2C)C=C1[N+](=O)[O-]	REAL300012089013	0	43	0.0	-44.33	343.53	9.43	-34.90
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C=C1[N+](=O)[O-]	REAL300012089014	0	43	0.0	-53.43	376.45	8.72	-44.71
CC1=CC=C(C(CC(=O)[O-])[NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012089015	0	48	0.0	-44.89	386.60	12.88	-32.01
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NC=C2Br)C=C1[N+](=O)[O-]	REAL300012089016	1	40	0.0	-37.21	344.08	9.43	-27.78
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(S(C)(=O)=O)S2)C=C1[N+](=O)[O-]	REAL300012089017	0	44	0.0	-55.43	390.12	7.42	-48.01
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2=CC=CC=N2)C=C1[N+](=O)[O-]	REAL300012089018	0	47	0.0	-57.92	385.64	11.18	-46.74
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CN2C(C)C)C=C1[N+](=O)[O-]	REAL300012089020	1	47	0.0	-46.53	376.12	10.49	-36.04
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C(F)(F)F)C=NN2C)C=C1[N+](=O)[O-]	REAL300012089021	0	44	0.0	-62.72	374.66	9.21	-53.51
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C3CC3)C=NN2C)C=C1[N+](=O)[O-]	REAL300012089022	0	48	0.0	-45.09	384.94	10.26	-34.83
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C3CCC3)C=NN2C)C=C1[N+](=O)[O-]	REAL300012089023	0	51	0.0	-45.87	405.99	10.96	-34.91
CC1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)N1C	REAL300012089024	0	44	0.0	-49.21	359.84	9.83	-39.38
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=C(C)C=CC=C3N2)C=C1[N+](=O)[O-]	REAL300012089025	0	48	0.0	-45.87	392.72	11.45	-34.42
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2=CC=NC=C2)C=C1[N+](=O)[O-]	REAL300012089026	0	47	0.0	-49.88	391.26	10.02	-39.86
CC1=CC=C2C=C(C[NH2+]C(CC(=O)[O-])C3=CC=C(C)C([N+](=O)[O-])=C3)NC2=C1	REAL300012089027	0	48	0.0	-45.11	393.14	11.47	-33.64
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CN=C2C)C=C1[N+](=O)[O-]	REAL300012089028	1	42	0.0	-40.40	344.06	7.54	-32.86
CCOC1=CN=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012089029	0	47	0.0	-46.81	383.65	9.18	-37.63
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NC=C2Cl)C=C1[N+](=O)[O-]	REAL300012089030	1	40	0.0	-38.22	343.30	9.42	-28.80
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2CCOCC2)C=C1[N+](=O)[O-]	REAL300012089031	0	52	0.0	-45.55	415.54	9.48	-36.07
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=NNC=C32)C=C1[N+](=O)[O-]	REAL300012089032	0	44	0.0	-68.53	362.79	9.33	-59.20
CCC(F)(F)C(C)(C)C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089033	0	49	0.0	-42.14	376.91	11.14	-31.00
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NC(F)=C2)C=C1[N+](=O)[O-]	REAL300012089034	0	40	0.0	-48.38	338.34	8.91	-39.47
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3C=CNC3=C2)C=C1[N+](=O)[O-]	REAL300012089035	0	45	0.0	-46.25	368.40	10.77	-35.48
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=C(C=CNC3=O)O2)C=C1[N+](=O)[O-]	REAL300012089036	1	44	0.0	-50.72	369.70	8.22	-42.50
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(F)F)N=C2)C=C1[N+](=O)[O-]	REAL300012089037	0	43	0.0	-67.86	363.59	9.58	-58.28
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C#N)=CC=C2N(C)C)C=C1[N+](=O)[O-]	REAL300012089038	0	50	0.0	-43.43	411.95	11.28	-32.15
COC1=CN=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1C	REAL300012089040	0	47	0.0	-44.88	377.50	9.01	-35.87
CC1=CC(C)=C(C=CC[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C)=C1	REAL300012089041	0	54	0.0	-64.46	424.26	13.63	-50.83
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC=C2N(C)C)C=C1[N+](=O)[O-]	REAL300012089044	0	49	0.0	-40.32	397.74	10.92	-29.40
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3CC3)C=N2)C=C1[N+](=O)[O-]	REAL300012089045	1	45	0.0	-46.68	368.46	11.39	-35.29
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C=C1[N+](=O)[O-]	REAL300012089046	0	46	0.0	-57.44	384.78	11.20	-46.24
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=C(C)C=C(C)C(C)=C2)C=C1[N+](=O)[O-]	REAL300012089047	0	54	0.0	-63.81	420.62	13.52	-50.29
CC1=NSC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012089048	0	40	0.0	-42.51	343.68	9.21	-33.30
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C=C1[N+](=O)[O-]	REAL300012089049	0	46	0.0	-53.63	391.27	5.70	-47.93
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3CC3)O2)C=C1[N+](=O)[O-]	REAL300012089051	1	44	0.0	-43.70	368.49	8.17	-35.53
CCC1=CNC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=N1	REAL300012089052	1	44	0.0	-62.20	359.74	8.68	-53.52
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CC3=C2CCCC3)C=C1[N+](=O)[O-]	REAL300012089053	0	50	0.0	-57.44	389.89	11.10	-46.34
CC1=NN(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1Cl	REAL300012089054	1	44	0.0	-40.18	376.45	9.41	-30.77
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2CCCC2)C=C1[N+](=O)[O-]	REAL300012089055	0	54	0.0	-46.76	428.05	11.77	-34.99
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OCCCC3=C2)C=C1[N+](=O)[O-]	REAL300012089056	0	49	0.0	-62.62	387.42	11.13	-51.49
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(=O)N(C)C)=C2)C=C1[N+](=O)[O-]	REAL300012089057	0	51	0.0	-66.21	405.26	10.34	-55.87
CCC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(Cl)=NN1	REAL300012089058	1	44	0.0	-47.77	372.38	8.76	-39.01
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C3CC3)NN=C2Cl)C=C1[N+](=O)[O-]	REAL300012089059	1	45	0.0	-58.63	380.07	9.45	-49.18
CCC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C)=NO1	REAL300012089060	0	46	0.0	-43.29	370.98	10.27	-33.02
CC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C2CCCCC2=N1	REAL300012089062	0	53	0.0	-45.66	408.41	11.89	-33.77
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2N2CCCCC2)C=C1[N+](=O)[O-]	REAL300012089063	0	56	0.0	-39.17	427.96	12.69	-26.48
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)O1	REAL300012089064	1	45	0.0	-61.80	372.58	10.12	-51.68
CCN1C=NC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012089066	1	44	0.0	-46.84	360.97	10.91	-35.93
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(F)C(C)=C2)C=C1[N+](=O)[O-]	REAL300012089067	0	43	0.0	-69.02	355.35	9.29	-59.73
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(F)C=C2C)C=C1[N+](=O)[O-]	REAL300012089068	0	43	0.0	-46.09	352.69	9.50	-36.59
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(F)F)C(F)=C2)C=C1[N+](=O)[O-]	REAL300012089069	0	44	0.0	-72.14	373.67	11.47	-60.67
COC(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1C	REAL300012089070	0	50	0.0	-69.24	405.17	11.69	-57.55
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C)=C1	REAL300012089071	0	48	0.0	-42.59	380.05	10.62	-31.97
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(C)=C2Cl)C=C1[N+](=O)[O-]	REAL300012089072	0	44	0.0	-36.98	383.76	12.30	-24.68
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OC(C)CC3=C2)C=C1[N+](=O)[O-]	REAL300012089073	0	49	0.0	-64.24	391.21	11.10	-53.14
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OC(=O)N3)C=C1[N+](=O)[O-]	REAL300012089074	0	44	0.0	-69.99	365.83	7.99	-62.00
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OCC3)C=C1[N+](=O)[O-]	REAL300012089075	0	46	0.0	-37.91	375.61	10.69	-27.22
CSCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012089076	0	48	0.0	-44.11	403.21	12.63	-31.48
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CC3CCC3)N=C2)C=C1[N+](=O)[O-]	REAL300012089077	0	51	0.0	-63.78	405.70	11.25	-52.53
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3COCCC3=NN2C)C=C1[N+](=O)[O-]	REAL300012089078	0	49	0.0	-47.70	389.56	8.24	-39.46
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3CCCC3=NN2C)C=C1[N+](=O)[O-]	REAL300012089079	0	48	0.0	-45.67	380.93	10.11	-35.56
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2CCC2)C=C1[N+](=O)[O-]	REAL300012089080	0	48	0.0	-62.57	385.74	10.39	-52.18
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3CCC3)N=C2)C=C1[N+](=O)[O-]	REAL300012089081	0	48	0.0	-63.38	385.13	10.40	-52.98
COC1=CC=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012089082	0	48	0.0	-43.47	380.05	10.61	-32.86
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3C(=CC=C2)N=CN3C)C=C1[N+](=O)[O-]	REAL300012089083	0	47	0.0	-46.52	372.61	11.68	-34.84
CCC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089084	0	47	0.0	-40.39	373.33	12.18	-28.21
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(=O)N(C)C)C=C2)C=C1[N+](=O)[O-]	REAL300012089085	0	51	0.0	-50.05	410.34	10.61	-39.44
CC1=CC(F)=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012089086	0	44	0.0	-63.55	361.28	11.23	-52.32
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C)=C1C	REAL300012089087	0	50	0.0	-40.72	385.29	12.42	-28.30
CCNC(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012089088	0	51	0.0	-49.32	415.05	9.86	-39.46
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C(C)(C)C)C=C1[N+](=O)[O-]	REAL300012089089	0	53	0.0	-40.77	390.85	12.94	-27.83
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C3CCCCCN23)C=C1[N+](=O)[O-]	REAL300012089090	0	51	0.0	-47.97	395.95	11.27	-36.70
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CON=C2C2CC2)C=C1[N+](=O)[O-]	REAL300012089091	1	44	0.0	-48.89	365.62	10.37	-38.52
CCN1CCC2=CC(C[NH2+]C(CC(=O)[O-])C3=CC=C(C)C([N+](=O)[O-])=C3)=CC=C21	REAL300012089092	0	53	0.0	-44.20	416.33	11.36	-32.84
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012089093	0	54	0.0	-49.84	432.17	11.63	-38.21
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=NN1C(C)C	REAL300012089094	0	50	0.0	-47.99	400.06	10.64	-37.35
CSC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1Cl	REAL300012089095	0	45	0.0	-66.76	389.46	11.96	-54.80
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3CC3)C(C)=C2)C=C1[N+](=O)[O-]	REAL300012089096	0	51	0.0	-60.81	401.27	13.12	-47.69
CCOC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CC=N1	REAL300012089097	0	47	0.0	-49.36	385.97	8.39	-40.97
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1C1CC1	REAL300012089098	0	51	0.0	-42.85	404.07	13.35	-29.50
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)O1	REAL300012089099	1	42	0.0	-62.02	350.73	9.18	-52.84
COCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)O1	REAL300012089100	1	49	0.0	-63.99	406.21	9.36	-54.63
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089101	0	53	0.0	-61.36	416.91	10.81	-50.55
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(CCF)C=C2)C=C1[N+](=O)[O-]	REAL300012089102	1	44	0.0	-40.83	370.77	9.58	-31.25
CCN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C)=N1	REAL300012089103	0	47	0.0	-44.85	382.17	10.05	-34.80
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2CC2)C=C1[N+](=O)[O-]	REAL300012089104	0	48	0.0	-45.22	390.77	10.67	-34.55
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3CC3)=NN2C)C=C1[N+](=O)[O-]	REAL300012089105	0	48	0.0	-65.72	389.05	10.27	-55.45
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=CN=C3)C=C2C)C=C1[N+](=O)[O-]	REAL300012089106	0	51	0.0	-48.25	406.50	13.68	-34.57
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CON=C2C(C)C)C=C1[N+](=O)[O-]	REAL300012089107	1	46	0.0	-65.19	371.70	9.78	-55.41
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3CCOCC3)O2)C=C1[N+](=O)[O-]	REAL300012089108	1	51	0.0	-46.90	409.37	7.20	-39.70
COC1=NC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1F	REAL300012089109	1	44	0.0	-66.86	369.34	7.37	-59.49
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN3C=CN=C3S2)C=C1[N+](=O)[O-]	REAL300012089110	0	41	0.0	-53.98	357.26	10.83	-43.15
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C(C(C)(C)C)O1	REAL300012089111	0	53	0.0	-60.17	419.69	12.15	-48.02
CC1=C(C)SC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=N1	REAL300012089112	1	43	0.0	-44.57	362.85	9.21	-35.36
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OC(C)C(C)C3=C2)C=C1[N+](=O)[O-]	REAL300012089114	0	52	0.0	-63.69	407.57	11.60	-52.09
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1OC(F)F	REAL300012089115	0	48	0.0	-47.49	396.36	11.07	-36.42
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSN=C2)C=C1[N+](=O)[O-]	REAL300012089116	1	37	0.0	-46.20	321.54	8.39	-37.81
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2CC(C)C)C=C1[N+](=O)[O-]	REAL300012089117	0	53	0.0	-40.15	412.23	13.41	-26.74
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)NN=C1C(F)(F)F	REAL300012089119	0	44	0.0	-49.72	375.61	8.76	-40.96
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC(C3CC3)=CS2)C=C1[N+](=O)[O-]	REAL300012089121	1	44	0.0	-45.20	375.60	10.10	-35.10
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C(F)(F)F)=NN2)C=C1[N+](=O)[O-]	REAL300012089122	0	41	0.0	-51.24	360.80	8.21	-43.03
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3CCOC3=C2)C=C1[N+](=O)[O-]	REAL300012089123	0	46	0.0	-64.00	370.09	10.35	-53.65
CSC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012089126	0	45	0.0	-61.24	373.93	11.51	-49.73
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C(C)C)C=NN2C)C=C1[N+](=O)[O-]	REAL300012089127	0	50	0.0	-62.45	395.62	9.97	-52.48
CC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CC(C)=N1	REAL300012089128	0	46	0.0	-46.32	375.19	10.20	-36.12
CCCN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C)=N1	REAL300012089129	0	50	0.0	-44.57	403.67	10.81	-33.76
CCN1C=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=N1	REAL300012089130	1	44	0.0	-39.65	364.18	9.45	-30.20
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=NC=CC=C3O2)C=C1[N+](=O)[O-]	REAL300012089131	0	43	0.0	-48.93	359.66	9.45	-39.48
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CC3CC3)S2)C=C1[N+](=O)[O-]	REAL300012089133	0	48	0.0	-39.06	402.32	13.04	-26.02
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC3CC3)C=C2)C=C1[N+](=O)[O-]	REAL300012089134	0	49	0.0	-45.82	397.79	11.71	-34.11
CNC(=O)C1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012089135	0	48	0.0	-66.91	390.19	8.77	-58.14
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C=C1[N+](=O)[O-]	REAL300012089136	0	55	0.0	-60.58	428.67	14.53	-46.05
CCNC(=O)C1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012089138	0	51	0.0	-66.51	411.68	9.61	-56.90
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300012089139	0	47	0.0	-43.16	392.06	11.99	-31.17
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3CCC3)=NN2)C=C1[N+](=O)[O-]	REAL300012089140	0	48	0.0	-47.76	384.48	9.68	-38.08
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CC=C3)=NN2C)C=C1[N+](=O)[O-]	REAL300012089141	0	51	0.0	-48.37	420.02	12.01	-36.36
CCCN1C=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=N1	REAL300012089142	1	47	0.0	-39.36	385.68	10.20	-29.16
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C(C)C)C=C2)C=C1[N+](=O)[O-]	REAL300012089143	1	47	0.0	-45.92	382.73	9.95	-35.97
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=CC(C(C)(C)C)=C2)C=C1[N+](=O)[O-]	REAL300012089144	0	52	0.0	-43.87	408.77	11.27	-32.60
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(CC(F)(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300012089145	1	44	0.0	-42.67	382.05	9.94	-32.73
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=C(CCCC3)N2C)C=C1[N+](=O)[O-]	REAL300012089146	1	51	0.0	-50.67	400.09	11.45	-39.22
COC1=NC(Cl)=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089147	1	44	0.0	-64.70	379.22	7.80	-56.90
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C(F)(F)F)C=C1[N+](=O)[O-]	REAL300012089148	0	44	0.0	-39.79	373.27	9.44	-30.35
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(F)F)=C2F)C=C1[N+](=O)[O-]	REAL300012089149	0	44	0.0	-53.87	378.23	11.80	-42.07
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2COCC3)C=C1[N+](=O)[O-]	REAL300012089150	0	49	0.0	-41.55	384.81	10.79	-30.76
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089151	0	48	0.0	-39.98	406.52	11.63	-28.35
COC1=NN(C)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089152	1	45	0.0	-40.92	375.60	6.61	-34.31
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=C(COCC3)S2)C=C1[N+](=O)[O-]	REAL300012089153	1	45	0.0	-39.67	376.50	8.07	-31.60
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C=C1[N+](=O)[O-]	REAL300012089154	0	48	0.0	-47.99	395.26	10.75	-37.24
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=C(CCCC3)O2)C=C1[N+](=O)[O-]	REAL300012089155	0	48	0.0	-43.65	381.37	11.57	-32.08
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300012089156	0	43	0.0	-74.78	368.86	11.24	-63.54
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3CCCCC3)N=C2)C=C1[N+](=O)[O-]	REAL300012089157	0	54	0.0	-48.08	422.03	11.82	-36.26
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N(C)CCO)N=C2)C=C1[N+](=O)[O-]	REAL300012089159	0	52	0.0	-64.18	413.75	8.07	-56.11
COC1=CC(C)=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=N1	REAL300012089161	0	47	0.0	-44.76	378.44	8.03	-36.73
COC1=CC(C)=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1O	REAL300012089162	0	49	0.0	-46.25	390.76	8.43	-37.82
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C=C1[N+](=O)[O-]	REAL300012089163	0	47	0.0	-68.67	393.26	9.70	-58.97
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3N(C)C2=O)C=C1[N+](=O)[O-]	REAL300012089164	0	50	0.0	-37.46	404.70	11.57	-25.89
COC1=NC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CC=C1C	REAL300012089165	0	47	0.0	-61.09	380.77	7.88	-53.21
CCCN1C=NC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089166	0	47	0.0	-45.61	374.17	11.58	-34.03
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CNC2=O)C=C1[N+](=O)[O-]	REAL300012089167	0	41	0.0	-55.15	343.50	7.78	-47.37
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=CC=C3OCOC3=C2)C=C1[N+](=O)[O-]	REAL300012089168	0	48	0.0	-50.95	394.47	10.72	-40.23
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CC3CCC3)C=C2)C=C1[N+](=O)[O-]	REAL300012089169	0	54	0.0	-42.13	428.20	14.26	-27.87
CCC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=NN1CC	REAL300012089170	0	50	0.0	-45.29	398.62	10.78	-34.51
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=CC(Cl)=C2F)C=C1[N+](=O)[O-]	REAL300012089171	1	41	0.0	-41.80	363.90	11.29	-30.51
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3CC3)=NN2)C=C1[N+](=O)[O-]	REAL300012089172	0	45	0.0	-46.20	371.54	9.35	-36.85
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2CC2(F)F)C=C1[N+](=O)[O-]	REAL300012089173	0	45	0.0	-48.50	383.58	10.41	-38.09
COC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=CS1	REAL300012089174	1	42	0.0	-42.36	358.89	9.19	-33.17
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C(F)(F)F)=CO1	REAL300012089175	0	44	0.0	-47.04	373.51	10.42	-36.62
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(C)(F)F)=C2)C=C1[N+](=O)[O-]	REAL300012089176	0	47	0.0	-43.28	390.24	12.26	-31.02
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C=C1[N+](=O)[O-]	REAL300012089177	0	47	0.0	-66.56	397.11	11.28	-55.28
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CN(C)N=C2)C=C1[N+](=O)[O-]	REAL300012089178	0	48	0.0	-50.53	394.72	8.51	-42.02
CCCN1N=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1Cl	REAL300012089179	1	50	0.0	-39.05	418.58	11.01	-28.04
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C(C)(C)C#N)S2)C=C1[N+](=O)[O-]	REAL300012089180	0	47	0.0	-49.21	406.62	10.22	-38.99
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC(F)=C2F)C=C1[N+](=O)[O-]	REAL300012089181	1	41	0.0	-40.77	358.13	11.02	-29.75
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C=C1[N+](=O)[O-]	REAL300012089182	0	48	0.0	-44.57	402.66	13.16	-31.41
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C(C)(C)C)=NN2)C=C1[N+](=O)[O-]	REAL300012089183	0	50	0.0	-64.36	398.49	9.42	-54.94
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C=C1[N+](=O)[O-]	REAL300012089184	0	47	0.0	-45.59	397.46	13.51	-32.08
C=CCC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089185	0	48	0.0	-38.91	383.17	12.57	-26.34
CCN1CCCC2=CC(C[NH2+]C(CC(=O)[O-])C3=CC=C(C)C([N+](=O)[O-])=C3)=CC=C21	REAL300012089186	0	56	0.0	-60.57	422.94	11.64	-48.93
COCC1=CN=C(OC)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012089187	1	51	0.0	-59.93	416.96	7.12	-52.81
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Br)N(C)N=C2)C=C1[N+](=O)[O-]	REAL300012089188	1	41	0.0	-40.03	362.48	9.07	-30.96
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300012089189	0	45	0.0	-43.38	368.03	12.05	-31.33
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=NN2C2CC2)C=C1[N+](=O)[O-]	REAL300012089190	1	44	0.0	-53.50	363.86	8.78	-44.72
COCC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089191	0	48	0.0	-42.23	383.84	10.64	-31.59
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3CCOCC3=C2)C=C1[N+](=O)[O-]	REAL300012089192	0	49	0.0	-45.29	390.74	10.83	-34.46
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CCO)N=C2)C=C1[N+](=O)[O-]	REAL300012089193	0	45	0.0	-65.77	369.23	5.80	-59.97
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C=C1[N+](=O)[O-]	REAL300012089194	0	47	0.0	-51.00	394.26	9.01	-41.99
COC1=CC=C(F)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1OC	REAL300012089195	1	49	0.0	-37.87	401.11	10.18	-27.69
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=CC=NC=C2)C=C1[N+](=O)[O-]	REAL300012089196	0	44	0.0	-47.22	363.05	10.28	-36.94
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=NN(C)C=C2)C=C1[N+](=O)[O-]	REAL300012089197	0	48	0.0	-55.68	396.69	8.66	-47.02
C=CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012089198	0	45	0.0	-43.13	368.21	11.83	-31.30
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OCC3CCC3)=C2)C=C1[N+](=O)[O-]	REAL300012089199	0	55	0.0	-41.49	436.63	13.10	-28.39
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C(C)(F)F)C=C1[N+](=O)[O-]	REAL300012089200	0	47	0.0	-42.76	377.44	12.22	-30.54
CCN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C2CC2)=N1	REAL300012089201	0	51	0.0	-46.59	413.53	11.64	-34.95
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2=CC=NN2C)C=C1[N+](=O)[O-]	REAL300012089202	0	51	0.0	-54.90	424.26	9.84	-45.06
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CON=C2C(C)(C)C)C=C1[N+](=O)[O-]	REAL300012089203	1	49	0.0	-46.54	378.25	10.41	-36.13
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CN=CC=C3C=C2)C=C1[N+](=O)[O-]	REAL300012089204	0	46	0.0	-49.53	380.64	11.33	-38.20
CC1=CC2=CC=CC(C[NH2+]C(CC(=O)[O-])C3=CC=C(C)C([N+](=O)[O-])=C3)=C2O1	REAL300012089205	0	47	0.0	-60.02	383.30	11.64	-48.38
COC1=CSC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1OC	REAL300012089206	0	46	0.0	-39.23	392.73	8.94	-30.29
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CON=C2C2CCC2)C=C1[N+](=O)[O-]	REAL300012089207	1	47	0.0	-46.92	383.61	10.90	-36.02
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(S(C)(=O)=O)=CO2)C=C1[N+](=O)[O-]	REAL300012089209	1	44	0.0	-51.93	381.19	6.36	-45.57
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(C)C)C(F)=C2)C=C1[N+](=O)[O-]	REAL300012089210	0	51	0.0	-67.97	408.81	11.40	-56.57
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(Cl)=C2F)C=C1[N+](=O)[O-]	REAL300012089212	1	41	0.0	-52.98	366.58	11.45	-41.53
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(F)F)=C2)C=C1[N+](=O)[O-]	REAL300012089213	0	44	0.0	-62.41	367.88	11.43	-50.98
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C=C1[N+](=O)[O-]	REAL300012089214	0	47	0.0	-38.58	390.39	13.13	-25.45
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(S(C)(=O)=O)=CS2)C=C1[N+](=O)[O-]	REAL300012089215	0	44	0.0	-49.56	392.11	7.47	-42.09
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(Cl)=C2)C=C1[N+](=O)[O-]	REAL300012089216	0	38	0.0	-62.87	340.74	10.06	-52.81
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=NN1C1CCC1	REAL300012089217	0	51	0.0	-47.97	405.67	11.27	-36.70
CC1=NN(C2CCCC2)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012089218	0	54	0.0	-46.45	427.25	11.92	-34.53
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2CC(F)F)C=C1[N+](=O)[O-]	REAL300012089219	0	44	0.0	-46.01	367.36	9.68	-36.33
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C=C1[N+](=O)[O-]	REAL300012089221	0	48	0.0	-66.25	398.70	11.78	-54.47
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=NC=C2N(C)C)C=C1[N+](=O)[O-]	REAL300012089222	1	48	0.0	-41.40	390.99	8.90	-32.50
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C3CCC3)C=C2)C=C1[N+](=O)[O-]	REAL300012089224	1	48	0.0	-44.97	385.31	10.42	-34.55
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(CC(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300012089225	1	44	0.0	-41.73	376.02	9.77	-31.96
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C3CC3(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300012089226	1	45	0.0	-43.09	385.68	10.31	-32.78
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3CCOCC3)N=C2)C=C1[N+](=O)[O-]	REAL300012089227	0	52	0.0	-63.95	408.89	9.14	-54.81
CC1=CN(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=N1	REAL300012089228	1	44	0.0	-38.86	358.67	9.70	-29.16
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C3CCCC3)C=C2)C=C1[N+](=O)[O-]	REAL300012089229	1	51	0.0	-38.91	403.00	11.08	-27.83
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(S(N)(=O)=O)=CS2)C=C1[N+](=O)[O-]	REAL300012089230	1	43	0.0	-49.18	385.69	4.87	-44.31
CC1=NSC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089232	0	40	0.0	-45.18	337.34	8.93	-36.25
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089233	0	54	0.0	-43.75	423.52	11.83	-31.92
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C(F)F)C=C1[N+](=O)[O-]	REAL300012089234	0	44	0.0	-45.08	359.13	11.64	-33.44
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CNN=C3C=C2)C=C1[N+](=O)[O-]	REAL300012089235	0	44	0.0	-48.64	363.29	9.45	-39.19
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(F)=C2F)C=C1[N+](=O)[O-]	REAL300012089236	1	41	0.0	-53.52	367.01	11.46	-42.06
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2C)C=C1[N+](=O)[O-]	REAL300012089237	0	44	0.0	-42.05	355.95	11.33	-30.72
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CN(C)N=C3)=C2)C=C1[N+](=O)[O-]	REAL300012089238	0	51	0.0	-65.31	413.84	11.80	-53.51
COC1=C(C#N)C=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089239	0	46	0.0	-55.55	389.71	10.67	-44.88
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NC(Br)=C2)C=C1[N+](=O)[O-]	REAL300012089240	0	40	0.0	-46.96	353.38	9.47	-37.49
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)N=C2C)C=C1[N+](=O)[O-]	REAL300012089241	0	43	0.0	-49.35	362.95	9.96	-39.39
COC1=CC(Cl)=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012089242	0	45	0.0	-44.87	383.27	10.55	-34.32
COC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=CC(F)=C1F	REAL300012089243	0	45	0.0	-72.01	376.26	9.93	-62.08
COC1=CC(C)=NC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089244	1	47	0.0	-58.20	381.80	8.79	-49.41
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C(C)C)C=N2)C=C1[N+](=O)[O-]	REAL300012089245	1	47	0.0	-46.35	380.59	11.30	-35.05
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=NN2C)C=C1[N+](=O)[O-]	REAL300012089246	0	48	0.0	-55.17	398.65	8.39	-46.78
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C2CC2)=NO1	REAL300012089247	1	47	0.0	-44.87	386.63	11.17	-33.70
COC(=O)C1=C(C)NC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1C	REAL300012089248	0	51	0.0	-48.20	420.59	10.53	-37.67
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(C)C)O2)C=C1[N+](=O)[O-]	REAL300012089249	1	48	0.0	-61.61	392.89	10.84	-50.77
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C=CC3=C2OCO3)C=C1[N+](=O)[O-]	REAL300012089250	1	44	0.0	-56.92	373.54	9.55	-47.37
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC(C#N)=C2)C=C1[N+](=O)[O-]	REAL300012089251	0	42	0.0	-72.39	361.51	10.95	-61.44
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3CCCCC3)C=C2)C=C1[N+](=O)[O-]	REAL300012089252	0	57	0.0	-41.95	438.94	14.55	-27.40
COC1=CC=CC=C1C=CC[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089253	0	49	0.0	-64.26	393.13	11.16	-53.10
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089254	0	51	0.0	-44.24	405.89	11.17	-33.07
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=NN1CC(F)F	REAL300012089255	0	47	0.0	-52.90	392.59	10.21	-42.69
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C=C1[N+](=O)[O-]	REAL300012089256	0	49	0.0	-67.57	403.36	10.84	-56.73
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089257	1	50	0.0	-39.04	422.14	11.13	-27.91
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CO3)=NN2C)C=C1[N+](=O)[O-]	REAL300012089258	0	48	0.0	-47.52	403.25	10.15	-37.37
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C)=N1	REAL300012089259	0	47	0.0	-47.07	378.25	8.01	-39.06
CCN(C)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C(C)=C1	REAL300012089260	0	55	0.0	-40.82	423.85	12.66	-28.16
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C(Cl)=CS2)C=C1[N+](=O)[O-]	REAL300012089261	0	38	0.0	-37.36	361.40	10.93	-26.43
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=NS1	REAL300012089262	0	40	0.0	-47.04	339.48	9.18	-37.86
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089263	1	52	0.0	-38.14	414.83	10.12	-28.02
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=NO1	REAL300012089264	1	40	0.0	-44.19	332.67	9.01	-35.18
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CF)C=C2)C=C1[N+](=O)[O-]	REAL300012089265	0	44	0.0	-44.79	365.07	11.56	-33.23
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3SC=CC3=C2)C=C1[N+](=O)[O-]	REAL300012089266	0	44	0.0	-46.20	373.96	12.12	-34.08
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C=C1[N+](=O)[O-]	REAL300012089267	0	50	0.0	-47.41	409.25	12.55	-34.86
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2CO)C=C1[N+](=O)[O-]	REAL300012089268	0	45	0.0	-43.20	363.99	8.30	-34.90
CC1=NSC(C)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089269	0	43	0.0	-62.86	356.38	9.33	-53.53
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C(C)(C)C)ON=C2)C=C1[N+](=O)[O-]	REAL300012089270	1	49	0.0	-39.58	379.41	10.80	-28.78
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C)=C2C(F)(F)F)C=C1[N+](=O)[O-]	REAL300012089271	0	47	0.0	-41.95	378.54	12.18	-29.77
C=CCN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=N1	REAL300012089272	0	45	0.0	-64.75	370.61	9.73	-55.02
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=NNC=C3C=C2)C=C1[N+](=O)[O-]	REAL300012089273	0	44	0.0	-45.94	365.89	9.56	-36.38
CCC(C)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)C=C1	REAL300012089274	0	53	0.0	-41.90	418.50	13.47	-28.43
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(C)(F)F)=N2)C=C1[N+](=O)[O-]	REAL300012089275	1	46	0.0	-49.40	386.20	10.69	-38.71
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2CCCC3)C=C1[N+](=O)[O-]	REAL300012089276	0	51	0.0	-58.47	388.81	12.85	-45.62
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089277	0	48	0.0	-45.86	396.73	12.67	-33.19
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C=C1[N+](=O)[O-]	REAL300012089278	0	47	0.0	-57.01	389.50	10.70	-46.31
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C3=CC=CC=C3C=C2)C=C1[N+](=O)[O-]	REAL300012089279	0	50	0.0	-42.33	393.71	13.52	-28.81
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089280	0	49	0.0	-56.39	397.92	10.02	-46.37
CC1=NC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C(C)S1	REAL300012089281	1	43	0.0	-45.85	362.69	9.15	-36.70
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C=C1[N+](=O)[O-]	REAL300012089282	0	54	0.0	-43.99	424.73	7.80	-36.19
CCCN1N=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1C	REAL300012089283	0	50	0.0	-41.60	404.51	10.74	-30.86
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=CC3=CC=CN=C32)C=C1[N+](=O)[O-]	REAL300012089284	0	49	0.0	-44.53	388.99	11.67	-32.86
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(N3C=CC=N3)C(C)=C2)C=C1[N+](=O)[O-]	REAL300012089285	0	50	0.0	-68.98	405.28	11.84	-57.14
COC(=O)C1=CN(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300012089286	0	48	0.0	-45.39	401.80	10.99	-34.40
CCCN1N=C(C)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300012089287	0	50	0.0	-43.51	400.95	10.70	-32.81
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2CCC2)C=C1[N+](=O)[O-]	REAL300012089288	0	51	0.0	-62.65	404.76	10.91	-51.74
CC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C(C)(C)C)O2)C=C1[N+](=O)[O-]	REAL300012089289	1	49	0.0	-45.32	396.29	8.23	-37.09
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=C1	REAL300012089290	0	39	0.0	-49.74	317.65	9.07	-40.67
CC1=CC=C(C)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089291	0	39	0.0	-49.61	317.72	9.10	-40.51
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC=CN=C3C=C2)C1	REAL300012089292	0	38	0.0	-58.72	322.59	8.15	-50.57
CC(C)(C)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089293	0	45	0.0	-51.11	358.09	10.13	-40.98
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CNN=C2C2=CC=CC=C2)C1	REAL300012089294	0	40	0.0	-53.96	340.92	7.76	-46.20
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Br)O2)C1	REAL300012089295	0	30	0.0	-54.91	286.95	6.75	-48.16
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089296	0	43	0.0	-57.87	363.05	9.68	-48.19
N#CCCN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2=CC=CC=C2)=N1	REAL300012089297	0	47	0.0	-59.67	402.71	10.32	-49.35
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1OC(F)F	REAL300012089298	0	41	0.0	-59.57	353.00	7.38	-52.19
CCOC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1OC	REAL300012089299	0	44	0.0	-57.21	362.45	7.93	-49.28
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)C1	REAL300012089300	0	47	0.0	-49.54	391.34	11.13	-38.41
CCCCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089301	0	49	0.0	-54.77	400.41	10.50	-44.27
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)C1	REAL300012089302	0	42	0.0	-60.52	369.91	10.36	-50.16
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)C1	REAL300012089303	0	42	0.0	-60.85	369.85	10.35	-50.50
CC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1C	REAL300012089304	0	39	0.0	-49.70	313.92	8.96	-40.74
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1C	REAL300012089305	0	39	0.0	-51.11	320.52	9.01	-42.10
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1Br	REAL300012089306	0	37	0.0	-57.78	334.42	7.86	-49.92
CC(C)OC1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089307	0	43	0.0	-48.02	349.33	8.71	-39.31
CCCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC	REAL300012089308	0	50	0.0	-58.15	408.09	9.60	-48.55
CCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC	REAL300012089309	0	47	0.0	-58.18	386.59	8.82	-49.36
C=CCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC	REAL300012089310	0	45	0.0	-58.61	378.00	8.60	-50.01
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)C1	REAL300012089311	0	40	0.0	-54.27	358.39	10.20	-44.07
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)C1	REAL300012089312	0	40	0.0	-53.19	357.56	10.13	-43.06
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)C1	REAL300012089313	0	40	0.0	-54.92	369.07	11.20	-43.72
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300012089314	0	43	0.0	-58.07	368.77	9.56	-48.51
CCC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C2=CC=CC=C2O1	REAL300012089315	0	42	0.0	-53.09	351.23	9.70	-43.39
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)C1	REAL300012089316	0	42	0.0	-61.00	368.89	11.07	-49.93
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300012089317	0	39	0.0	-54.23	355.75	8.75	-45.48
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2OC(F)(F)F)C1	REAL300012089318	0	37	0.0	-51.31	329.13	7.76	-43.55
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(SC(F)(F)F)C=C2)C1	REAL300012089319	0	37	0.0	-57.31	340.96	9.36	-47.95
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C([N+](=O)[O-])C=C1O	REAL300012089320	0	40	0.0	-56.13	342.34	5.52	-50.61
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(Cl)=C1	REAL300012089321	0	37	0.0	-49.38	322.69	7.56	-41.82
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300012089322	0	37	0.0	-57.36	330.56	7.70	-49.66
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C1	REAL300012089323	0	40	0.0	-55.65	344.54	7.73	-47.92
CC1=CC=C(C2=NNC=C2C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089324	0	43	0.0	-53.45	362.33	8.43	-45.02
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CNN=C2C2=CC=CS2)C1	REAL300012089325	0	37	0.0	-51.65	325.14	6.91	-44.74
COC1=CC=C(C2=NNC=C2C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089326	0	44	0.0	-54.42	368.73	7.00	-47.42
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC3=CC=CC=C23)C1	REAL300012089327	0	36	0.0	-53.86	321.41	9.27	-44.59
CCOC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=NN1CC(C)C	REAL300012089328	0	52	0.0	-51.98	421.10	8.45	-43.53
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC=CC=C3OC2)C1	REAL300012089329	0	39	0.0	-55.16	327.47	8.29	-46.87
CC1=CC=C(C2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)O2)C=C1	REAL300012089330	0	43	0.0	-54.56	366.20	10.44	-44.12
CC1=CC=C(C2=NNC=C2C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)O1	REAL300012089331	0	40	0.0	-51.19	342.38	6.90	-44.29
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CNN=C2C2=CC=CN=C2)C1	REAL300012089332	0	39	0.0	-56.60	335.87	6.00	-50.60
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CNN=C2C2=CC=C3OCCOC3=C2)C1	REAL300012089333	0	46	0.0	-58.05	385.49	6.90	-51.15
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OCC3CCCO3)C=C2)C1	REAL300012089334	0	48	0.0	-57.29	392.88	8.50	-48.79
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Cl)S2)C1	REAL300012089335	0	30	0.0	-53.64	290.44	7.58	-46.06
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)C1	REAL300012089336	0	40	0.0	-54.21	355.72	10.64	-43.57
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC3=CC=CN=C32)C1	REAL300012089337	0	38	0.0	-48.92	324.39	8.41	-40.51
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)C1	REAL300012089338	0	46	0.0	-51.24	386.52	9.51	-41.73
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089339	0	42	0.0	-53.14	352.27	6.80	-46.34
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300012089340	0	40	0.0	-59.87	339.87	9.02	-50.85
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C1	REAL300012089341	0	39	0.0	-63.32	337.87	10.42	-52.90
CC(C)N1N=CC2=CC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=C(Cl)N=C21	REAL300012089342	0	44	0.0	-58.12	383.44	9.00	-49.12
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)C1	REAL300012089343	0	40	0.0	-52.09	366.18	11.10	-40.99
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)C1	REAL300012089344	0	40	0.0	-52.80	358.66	10.75	-42.05
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(F)=CC=C2F)C1	REAL300012089345	0	33	0.0	-51.96	293.39	7.88	-44.08
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)C1	REAL300012089346	0	36	0.0	-50.12	332.43	9.29	-40.83
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C=C2Cl)C1	REAL300012089347	0	33	0.0	-50.55	299.62	8.34	-42.21
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C(Cl)=C2)C1	REAL300012089348	0	33	0.0	-59.84	307.09	8.46	-51.38
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)C1	REAL300012089349	0	36	0.0	-61.18	325.74	8.83	-52.35
CCOC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089350	0	40	0.0	-52.69	332.78	8.02	-44.67
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1F	REAL300012089351	0	36	0.0	-54.72	308.20	8.51	-46.21
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=CC=C2Cl)C1	REAL300012089352	0	33	0.0	-48.74	311.32	8.76	-39.98
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C=C2C(F)(F)F)C1	REAL300012089353	0	36	0.0	-59.82	319.37	9.02	-50.80
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(F)=C(F)C(F)=C2)C1	REAL300012089354	0	33	0.0	-63.49	300.42	7.97	-55.52
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300012089355	0	36	0.0	-58.77	326.59	8.85	-49.92
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(C(F)(F)F)=CC=C2F)C1	REAL300012089356	0	36	0.0	-52.31	324.98	8.85	-43.46
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(Cl)=C1OC	REAL300012089357	0	41	0.0	-53.62	359.15	7.67	-45.95
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC=CC=C3S2)C1	REAL300012089358	0	36	0.0	-53.76	321.88	9.43	-44.33
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Cl)C(F)=C2)C1	REAL300012089359	0	33	0.0	-58.73	304.07	8.37	-50.36
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=CC=C2OC(F)F)C1	REAL300012089360	0	37	0.0	-53.23	336.09	7.95	-45.28
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C1	REAL300012089361	0	40	0.0	-54.61	369.14	11.20	-43.41
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)C1	REAL300012089362	0	43	0.0	-57.53	363.82	6.29	-51.24
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CN=C2Cl)C1	REAL300012089363	0	32	0.0	-53.43	291.49	6.50	-46.93
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C1	REAL300012089364	0	46	0.0	-58.80	390.73	9.41	-49.39
CC(C)C1=NN(C)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089365	0	42	0.0	-54.67	346.62	7.42	-47.25
CC(C)C1=NN(C)C(Cl)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089366	0	42	0.0	-50.37	361.94	7.75	-42.62
COCCOC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089367	0	44	0.0	-54.56	366.39	7.29	-47.27
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1Cl	REAL300012089368	0	37	0.0	-57.91	330.03	7.74	-50.17
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C1	REAL300012089369	0	38	0.0	-53.77	341.68	6.71	-47.06
CC(C)N1C2=CC=CC=C2N=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089370	0	45	0.0	-54.64	362.78	9.36	-45.28
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300012089371	0	49	0.0	-61.67	399.59	7.73	-53.94
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C1	REAL300012089372	0	40	0.0	-56.33	355.49	8.58	-47.75
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC3=C2OCCO3)C1	REAL300012089373	0	39	0.0	-51.75	325.97	7.06	-44.69
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC3=C2OCCCO3)C1	REAL300012089374	0	42	0.0	-51.60	346.10	7.88	-43.72
CCCN1C2=CC=CC=C2N=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089375	0	45	0.0	-55.88	375.08	9.90	-45.98
CCCOC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089376	0	43	0.0	-53.63	357.35	8.92	-44.71
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C1	REAL300012089377	0	40	0.0	-53.94	350.60	10.49	-43.45
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C1	REAL300012089378	0	47	0.0	-53.28	378.54	10.10	-43.18
CC(C)OC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089379	0	43	0.0	-53.77	350.69	8.64	-45.13
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012089380	0	46	0.0	-53.32	390.30	9.80	-43.52
CC1=CC=C(C2=NC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CS2)C=C1	REAL300012089381	0	42	0.0	-51.03	367.66	9.26	-41.77
CC(C)C1=NC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CS1	REAL300012089382	0	38	0.0	-49.39	329.18	6.82	-42.57
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C1	REAL300012089383	0	47	0.0	-55.57	399.55	11.35	-44.22
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)C1	REAL300012089384	0	43	0.0	-52.47	377.83	8.09	-44.38
CC(C)(C)C1=NC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CS1	REAL300012089385	0	41	0.0	-49.10	348.11	7.33	-41.77
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC(C3=CSC=C3)=N2)C1	REAL300012089386	0	36	0.0	-52.57	340.38	7.63	-44.94
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C1	REAL300012089387	0	40	0.0	-55.35	358.82	10.76	-44.59
CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089388	0	47	0.0	-55.33	388.55	8.67	-46.66
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2OC2CCCC2)C1	REAL300012089389	0	47	0.0	-48.42	375.74	10.11	-38.31
CC1=CC=C(C2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)S2)C=C1	REAL300012089390	0	43	0.0	-52.51	370.72	11.26	-41.25
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C1	REAL300012089391	0	39	0.0	-60.09	347.52	8.09	-52.00
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089392	0	37	0.0	-51.95	343.79	8.25	-43.70
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Br)=CC=C2Cl)C1	REAL300012089393	0	33	0.0	-48.68	315.83	8.87	-39.81
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=CC=C2Br)C1	REAL300012089394	0	33	0.0	-48.98	317.53	8.94	-40.04
CCOC1=C(OC)C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC	REAL300012089395	0	48	0.0	-60.20	395.17	7.84	-52.36
COCCCOC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089396	0	47	0.0	-55.21	391.09	7.99	-47.22
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CN=C1Cl	REAL300012089397	0	35	0.0	-59.07	311.92	7.02	-52.05
COC1=CC=C(OC(F)F)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089398	0	41	0.0	-52.50	348.85	6.71	-45.79
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Cl)C=CC=C2OC(F)F)C1	REAL300012089399	0	37	0.0	-48.19	333.39	7.83	-40.36
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1OC1=CC=CN=C1	REAL300012089400	0	46	0.0	-58.09	389.14	9.73	-48.36
CC1=CC=C(C2=NC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)S2)C=C1	REAL300012089401	0	42	0.0	-54.03	367.84	9.49	-44.54
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C1	REAL300012089402	0	38	0.0	-49.52	341.01	8.94	-40.58
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C3=CC=CN=C23)C1	REAL300012089403	0	38	0.0	-51.96	329.91	8.47	-43.49
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(F)=CC3=CC=CN=C32)C1	REAL300012089404	0	38	0.0	-50.06	327.60	8.38	-41.68
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C1	REAL300012089405	0	38	0.0	-51.26	338.75	8.84	-42.42
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)C1	REAL300012089406	0	40	0.0	-54.28	356.15	9.85	-44.43
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)O1	REAL300012089407	0	43	0.0	-55.88	371.66	10.54	-45.34
CCC1=CC=C(C2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)O2)C=C1	REAL300012089408	0	46	0.0	-54.36	387.69	11.21	-43.15
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(OC(F)F)=C1	REAL300012089409	0	41	0.0	-55.31	348.77	6.72	-48.59
COC1=CC=C2OC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CC2=C1	REAL300012089410	0	40	0.0	-55.72	338.77	7.60	-48.12
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC=CC2=CC=C(Cl)C=C2)C1	REAL300012089411	0	37	0.0	-57.72	332.26	9.71	-48.01
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C2=CC=CC=C2O1	REAL300012089412	0	39	0.0	-53.80	328.83	8.90	-44.90
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=COC3=CC=CC=C23)C1	REAL300012089413	0	36	0.0	-55.06	311.11	8.23	-46.83
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C1	REAL300012089414	0	41	0.0	-56.59	351.27	9.66	-46.93
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1Br	REAL300012089415	0	36	0.0	-54.84	324.00	9.08	-45.76
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC=CC2=CC=C(F)C=C2F)C1	REAL300012089416	0	37	0.0	-59.39	324.36	9.18	-50.21
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1Br	REAL300012089417	0	36	0.0	-54.98	320.91	8.98	-46.00
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C1	REAL300012089418	0	40	0.0	-54.10	343.45	9.02	-45.08
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Cl)SC=C2)C1	REAL300012089419	0	30	0.0	-47.68	285.57	7.33	-40.35
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=CC3=C2OCC3)C1	REAL300012089420	0	38	0.0	-50.72	334.02	8.16	-42.56
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=C(F)C=CC=C3N2)C1	REAL300012089421	0	37	0.0	-58.77	322.88	7.91	-50.86
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC=C(F)C=C3N2)C1	REAL300012089422	0	37	0.0	-58.11	319.70	7.80	-50.31
CCOC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300012089423	0	39	0.0	-52.17	330.44	5.38	-46.79
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC2=CC=CN=C12	REAL300012089424	0	41	0.0	-58.18	342.69	8.99	-49.19
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1Cl	REAL300012089425	0	36	0.0	-54.95	316.88	8.90	-46.05
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C3C=CSC3=C2)C1	REAL300012089426	0	35	0.0	-58.91	316.37	7.38	-51.53
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)O2)C=C1	REAL300012089427	0	52	0.0	-54.09	420.92	12.11	-41.98
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089428	0	53	0.0	-48.98	412.92	10.96	-38.02
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089429	0	53	0.0	-50.28	425.61	11.03	-39.25
CCCC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089430	0	42	0.0	-51.23	345.86	10.01	-41.22
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089431	0	51	0.0	-55.26	416.30	12.56	-42.70
CCN(CC)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1F	REAL300012089432	0	47	0.0	-56.29	380.74	8.86	-47.43
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C(SC)C=C1OC	REAL300012089433	0	45	0.0	-52.02	378.87	8.04	-43.98
COC1=CC=C2N=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)SC2=C1	REAL300012089434	0	39	0.0	-54.16	346.20	6.69	-47.47
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089435	0	39	0.0	-56.00	344.55	8.63	-47.37
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1C#N	REAL300012089436	0	38	0.0	-64.19	331.14	7.50	-56.69
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(SC(F)F)C=C2)C1	REAL300012089437	0	37	0.0	-56.53	334.32	9.17	-47.36
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089438	0	39	0.0	-52.17	331.78	9.37	-42.80
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C1	REAL300012089439	0	37	0.0	-59.35	326.96	7.45	-51.90
CCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)N=C1	REAL300012089440	0	39	0.0	-51.80	327.83	6.16	-45.64
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089441	0	39	0.0	-55.50	334.97	9.40	-46.10
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC(Cl)=C1OC	REAL300012089442	0	41	0.0	-60.23	363.21	7.74	-52.49
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OCC(C)C	REAL300012089443	0	50	0.0	-56.70	403.72	9.41	-47.29
CCCOC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1OC	REAL300012089444	0	47	0.0	-57.51	385.30	8.78	-48.73
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Br)S2)C1	REAL300012089445	0	30	0.0	-53.71	294.97	7.68	-46.03
CCOC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC(Cl)=C1OC	REAL300012089446	0	44	0.0	-58.91	382.03	8.55	-50.36
C=CCOC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089447	0	41	0.0	-53.95	348.78	8.71	-45.24
COC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1OC(C)C	REAL300012089448	0	47	0.0	-49.76	379.23	8.78	-40.98
CCOC1=C(Cl)C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC	REAL300012089449	0	44	0.0	-60.21	385.06	8.69	-51.52
CCCOC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=CC=C1OCC	REAL300012089450	0	50	0.0	-50.08	405.40	9.71	-40.37
CCCCOC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1OC	REAL300012089451	0	50	0.0	-57.54	406.67	9.54	-48.00
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC(F)F	REAL300012089452	0	41	0.0	-57.09	353.01	7.39	-49.70
CCOC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1OC(F)F	REAL300012089453	0	44	0.0	-58.31	372.21	8.21	-50.10
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC(C)=C1OC(F)F	REAL300012089454	0	43	0.0	-55.99	360.08	8.87	-47.12
CCOC1=CC2=C(C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1)OC(C)C2	REAL300012089455	0	48	0.0	-50.22	391.48	8.77	-41.45
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC2=C1OCCO2	REAL300012089456	0	43	0.0	-58.68	355.10	6.82	-51.86
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1	REAL300012089457	0	42	0.0	-60.19	379.32	9.36	-50.83
CCCCN1N=C(C)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1Cl	REAL300012089458	0	45	0.0	-50.41	384.38	8.84	-41.57
CCOC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1OC(F)F	REAL300012089459	0	44	0.0	-52.16	370.35	8.36	-43.80
CC1=CC(C)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1C	REAL300012089460	0	42	0.0	-50.33	337.82	9.72	-40.61
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C1	REAL300012089461	0	40	0.0	-52.49	349.32	10.58	-41.91
CCCOC1=C(Cl)C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC	REAL300012089462	0	47	0.0	-60.10	406.56	9.49	-50.61
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)C1	REAL300012089463	0	40	0.0	-57.58	356.38	9.86	-47.72
CC(C)(C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1)C1=CC=CC=C1	REAL300012089464	0	42	0.0	-52.46	329.47	9.50	-42.96
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2CCCCC2)=N1	REAL300012089465	0	49	0.0	-54.80	388.25	9.31	-45.49
CC(CCC1=CC=CC=C1)C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089466	0	45	0.0	-55.07	363.52	10.77	-44.30
CCC1CCCC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C1	REAL300012089467	0	45	0.0	-53.03	337.63	9.20	-43.83
CC1(C)CCC2=C(C1)SC(C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1)=N2	REAL300012089468	0	45	0.0	-50.31	367.29	8.49	-41.82
CCC1=CC=CC(Cl)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089469	0	39	0.0	-47.89	333.66	9.54	-38.35
CC1=C(C)C=C2OC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CC2=C1	REAL300012089470	0	42	0.0	-55.21	351.36	9.64	-45.57
CCCC1CCC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300012089471	0	48	0.0	-51.76	355.97	9.87	-41.89
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)C1	REAL300012089472	0	40	0.0	-54.92	354.86	8.18	-46.74
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C1	REAL300012089473	0	40	0.0	-60.91	337.80	10.20	-50.71
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C1	REAL300012089474	0	40	0.0	-53.55	349.42	9.80	-43.75
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=C3OCCOC3=C2)C1	REAL300012089475	0	39	0.0	-57.60	341.99	7.51	-50.09
CCCCC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C2=CC=CC=C2O1	REAL300012089476	0	48	0.0	-53.17	394.16	11.25	-41.92
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C1	REAL300012089477	0	46	0.0	-63.10	388.31	12.47	-50.63
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089478	0	46	0.0	-57.26	388.38	10.06	-47.20
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300012089479	0	42	0.0	-59.61	360.75	8.30	-51.31
COC1=CC=C(C)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089480	0	40	0.0	-48.14	330.92	7.83	-40.31
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1F	REAL300012089481	0	37	0.0	-58.49	317.20	7.18	-51.31
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1	REAL300012089482	0	42	0.0	-56.77	339.80	9.03	-47.74
CC(C)C1CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)CCO1	REAL300012089483	0	46	0.0	-54.53	344.53	7.68	-46.85
CC1(C)CCC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300012089484	0	45	0.0	-52.50	336.46	9.01	-43.49
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)C1	REAL300012089485	0	40	0.0	-62.42	358.62	8.57	-53.85
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)C1	REAL300012089486	0	39	0.0	-60.61	353.14	8.23	-52.38
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C1	REAL300012089487	0	39	0.0	-61.70	356.95	8.17	-53.53
CCSC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089488	0	40	0.0	-52.46	343.09	9.65	-42.81
O=C([O-])[C@@]1(C(F)(F)F)C[C@H]([NH2+]CC2=C(O)C=CC(Cl)=C2F)C1	REAL300012089489	1	34	0.0	-51.14	314.36	5.58	-45.56
COC1(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)CCCCC1	REAL300012089490	0	43	0.0	-49.38	324.50	7.15	-42.23
CCN1N=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C2=CC=CC=C21	REAL300012089491	0	42	0.0	-51.73	353.23	8.59	-43.14
COCCC1(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)CCCCC1	REAL300012089492	0	49	0.0	-52.34	363.22	8.11	-44.23
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Br)=C(Cl)S2)C1	REAL300012089493	0	30	0.0	-56.14	312.22	8.20	-47.94
CCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089494	0	43	0.0	-54.92	357.42	8.93	-45.99
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC=CC=C3O2)C1	REAL300012089495	0	36	0.0	-55.31	312.39	8.43	-46.88
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C1	REAL300012089496	0	40	0.0	-53.14	341.73	9.70	-43.44
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1OC(C)C	REAL300012089497	0	47	0.0	-58.10	383.03	8.64	-49.46
CCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OCC	REAL300012089498	0	50	0.0	-56.94	405.80	9.65	-47.29
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1[N+](=O)[O-]	REAL300012089499	0	38	0.0	-64.06	331.42	9.21	-54.85
CC(C)OC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089500	0	43	0.0	-54.80	353.78	8.74	-46.06
CCCCCCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089501	0	55	0.0	-54.60	443.41	12.06	-42.54
CC(C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012089502	0	54	0.0	-52.97	414.49	12.17	-40.80
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1F	REAL300012089503	0	36	0.0	-56.09	308.14	8.48	-47.61
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C3NC=CC3=CC=C2)C1	REAL300012089504	0	37	0.0	-52.73	312.83	7.80	-44.93
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Br)C=CS2)C1	REAL300012089505	0	30	0.0	-48.38	294.17	7.54	-40.84
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2N2CCOCC2)C1	REAL300012089506	0	46	0.0	-50.68	369.15	7.46	-43.22
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(F)=CC=C2Br)C1	REAL300012089507	0	33	0.0	-49.59	307.25	8.49	-41.10
CC(C)CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089508	0	45	0.0	-52.16	365.71	10.60	-41.56
CC1=CC=C(C2=CC=CC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=C2)C=C1	REAL300012089509	0	46	0.0	-55.06	380.17	11.97	-43.09
COC1=CC=C(Br)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089510	0	37	0.0	-48.51	329.39	7.77	-40.74
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1[N+](=O)[O-]	REAL300012089511	0	39	0.0	-68.67	340.08	8.65	-60.02
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300012089512	0	33	0.0	-55.72	314.88	8.80	-46.92
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(F)=CC(Cl)=C2)C1	REAL300012089513	0	33	0.0	-56.56	304.59	8.37	-48.19
CC1=CC=CC(C)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089514	0	39	0.0	-49.07	314.62	8.86	-40.21
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Br)=CO2)C1	REAL300012089515	0	30	0.0	-53.99	285.66	6.63	-47.36
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089516	0	46	0.0	-53.64	377.95	11.89	-41.75
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(OC(F)F)=C2)C1	REAL300012089517	0	37	0.0	-56.11	320.67	7.37	-48.74
CCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OCC	REAL300012089518	0	47	0.0	-57.16	384.31	8.85	-48.31
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Cl)C=C2F)C1	REAL300012089519	0	33	0.0	-53.74	305.70	8.48	-45.26
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300012089520	0	36	0.0	-60.23	333.31	9.20	-51.03
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C=C2Br)C1	REAL300012089521	0	33	0.0	-49.68	303.26	8.45	-41.23
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300012089522	0	37	0.0	-55.98	327.47	7.60	-48.38
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=CC=C2F)C1	REAL300012089523	0	33	0.0	-51.33	303.75	8.32	-43.01
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089524	0	47	0.0	-55.73	392.73	10.97	-44.76
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(F)=CC(F)=C2)C1	REAL300012089525	0	33	0.0	-58.54	297.35	8.03	-50.51
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(Cl)=C2F)C1	REAL300012089526	0	33	0.0	-53.89	306.25	8.41	-45.48
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C2=CC=CC=C12	REAL300012089527	0	43	0.0	-53.77	350.75	9.29	-44.48
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NNC=C2C2=CC=CC=C2)C1	REAL300012089528	0	40	0.0	-50.19	341.88	7.82	-42.37
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C1	REAL300012089528	1	40	0.0	-53.66	343.04	7.80	-45.86
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(F)=C2F)C1	REAL300012089529	0	33	0.0	-54.99	296.37	7.98	-47.01
CN1C2=CC=CC=C2N=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089530	0	39	0.0	-56.28	330.92	8.24	-48.04
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300012089531	0	36	0.0	-57.47	308.51	4.49	-52.98
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(Br)=C1O	REAL300012089532	0	38	0.0	-53.38	340.13	5.61	-47.77
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C3OCCC3=C2)C1	REAL300012089533	0	38	0.0	-55.56	317.30	7.63	-47.93
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC(Br)=C2)C1	REAL300012089534	0	30	0.0	-55.19	296.16	7.58	-47.61
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300012089535	0	43	0.0	-54.11	355.63	11.20	-42.91
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C1	REAL300012089536	0	46	0.0	-52.93	386.20	9.38	-43.55
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(N3CCCC3)N=C2)C1	REAL300012089537	0	44	0.0	-56.23	355.34	7.70	-48.53
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C3C=CNC3=CC=C2)C1	REAL300012089538	0	37	0.0	-50.38	312.63	7.81	-42.57
CC1=CC(F)=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089539	0	36	0.0	-54.03	302.63	8.48	-45.55
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Br)C(F)=C2)C1	REAL300012089540	0	33	0.0	-58.80	308.48	8.47	-50.33
CC1=NC(C)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012089541	0	35	0.0	-52.12	307.27	6.27	-45.85
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C1	REAL300012089542	0	42	0.0	-53.32	353.14	9.67	-43.65
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C1	REAL300012089543	0	42	0.0	-57.25	353.76	9.54	-47.71
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C1	REAL300012089544	0	42	0.0	-58.52	353.92	9.55	-48.97
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089545	0	48	0.0	-53.55	375.51	8.34	-45.21
CN1CCN(C2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=C2)CC1	REAL300012089546	1	50	0.0	-53.00	390.63	6.50	-46.50
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C1	REAL300012089547	0	42	0.0	-58.63	362.69	6.31	-52.32
CNC(=O)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089548	0	40	0.0	-62.74	337.88	6.06	-56.68
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C1	REAL300012089549	0	40	0.0	-59.49	346.71	9.08	-50.41
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C1	REAL300012089550	0	40	0.0	-58.93	357.03	9.53	-49.40
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300012089551	0	40	0.0	-58.31	355.43	8.59	-49.72
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC=CC=C3C=C2)C1	REAL300012089552	0	39	0.0	-54.95	330.60	10.14	-44.81
COC1=C2OC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CC2=CC=C1	REAL300012089553	0	40	0.0	-57.41	341.87	7.72	-49.69
CC(C)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1[N+](=O)[O-]	REAL300012089554	0	44	0.0	-64.49	369.64	10.41	-54.08
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Br)=C3OCOC3=C2)C1	REAL300012089555	0	36	0.0	-60.73	331.87	7.18	-53.55
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089556	0	49	0.0	-55.10	399.27	10.22	-44.88
CCOC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1OCC(C)C	REAL300012089557	0	53	0.0	-56.65	425.91	10.33	-46.32
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Br)=CC=C2F)C1	REAL300012089558	0	33	0.0	-51.29	308.31	8.43	-42.86
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Br)C=C2F)C1	REAL300012089559	0	33	0.0	-53.80	310.27	8.58	-45.22
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC(OC)=C1	REAL300012089560	0	41	0.0	-53.55	340.45	6.40	-47.15
COC1=CC2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=C2C=C1	REAL300012089561	0	43	0.0	-57.90	360.02	9.44	-48.46
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Br)=CS2)C1	REAL300012089563	0	30	0.0	-52.27	293.17	7.53	-44.74
CCCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OCC	REAL300012089564	0	53	0.0	-56.96	427.30	10.43	-46.53
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089565	0	46	0.0	-55.76	377.72	9.88	-45.88
COC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1OC(F)F	REAL300012089566	0	41	0.0	-52.76	351.50	7.57	-45.19
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(CSC(F)F)O2)C1	REAL300012089567	0	37	0.0	-55.73	345.02	8.47	-47.26
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC=CC=C3NC2=O)C1	REAL300012089568	0	39	0.0	-53.76	331.76	6.84	-46.92
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C(Br)=C2)C1	REAL300012089570	0	33	0.0	-59.83	311.51	8.56	-51.27
CC1=CC=C(COC2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=C2)C=C1	REAL300012089571	0	50	0.0	-56.36	417.24	11.87	-44.49
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(N3CCCCC3)C=C2)C1	REAL300012089572	0	48	0.0	-53.31	377.44	9.18	-44.13
CCCCCCOC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089573	0	52	0.0	-53.28	421.92	11.27	-42.01
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1SC	REAL300012089574	0	41	0.0	-58.20	353.41	8.25	-49.95
N#CCCCOC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089575	0	44	0.0	-59.98	375.18	9.35	-50.63
CCCCCOC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1OC	REAL300012089576	0	53	0.0	-57.44	428.18	10.32	-47.12
CCC(C)OC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1OC	REAL300012089577	0	50	0.0	-56.72	400.69	9.31	-47.41
CCCCCCCOC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089578	0	55	0.0	-52.41	440.32	11.95	-40.46
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OCCCC#N	REAL300012089579	0	48	0.0	-66.58	404.79	9.25	-57.33
C=C(C)COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1OC	REAL300012089580	0	48	0.0	-57.76	394.06	9.26	-48.50
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OCCC(C)C	REAL300012089581	0	53	0.0	-57.45	424.25	10.06	-47.39
C=CCC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC(OC)=C1O	REAL300012089582	0	45	0.0	-57.97	379.37	7.04	-50.93
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C1	REAL300012089583	0	40	0.0	-60.09	343.91	7.81	-52.28
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089584	0	42	0.0	-57.63	362.77	8.84	-48.79
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089585	0	43	0.0	-53.93	381.79	6.41	-47.52
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C1	REAL300012089586	0	39	0.0	-58.72	337.41	7.71	-51.01
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C1	REAL300012089587	0	39	0.0	-53.03	344.63	8.56	-44.47
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)C1	REAL300012089588	0	46	0.0	-57.67	368.69	6.62	-51.05
CN1C=NC2=CC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CC=C21	REAL300012089589	0	39	0.0	-57.14	329.79	9.14	-48.00
CCN1N=C(C)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1C	REAL300012089590	0	42	0.0	-54.87	347.16	7.49	-47.38
C=CCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1Cl	REAL300012089591	0	41	0.0	-58.24	364.79	9.26	-48.98
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C1	REAL300012089592	0	39	0.0	-54.11	346.50	8.81	-45.30
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C2OC(C)CC2=C1	REAL300012089593	0	45	0.0	-50.29	367.85	7.66	-42.63
CC1(C)CC2=CC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CC=C2O1	REAL300012089594	0	44	0.0	-55.26	358.84	9.04	-46.22
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=COC(C3=CC=CC=C3)=N2)C1	REAL300012089595	0	39	0.0	-55.26	341.15	6.32	-48.94
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC(C3=CC=CS3)=N2)C1	REAL300012089596	0	36	0.0	-53.09	341.04	7.72	-45.37
CC1=CC=CC(C2=NNC=C2C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089597	0	43	0.0	-53.70	362.28	8.42	-45.28
CC1=CC=C(F)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089598	0	36	0.0	-49.18	309.00	8.55	-40.63
CC1=CC=C(F)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089599	0	36	0.0	-52.64	302.70	8.50	-44.14
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300012089600	0	36	0.0	-58.92	339.97	9.39	-49.53
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Br)C=C2Cl)C1	REAL300012089601	0	33	0.0	-49.93	314.51	8.89	-41.04
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(Br)=C1	REAL300012089602	0	36	0.0	-46.04	318.26	9.04	-37.00
CC(C)COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089603	0	46	0.0	-54.64	377.52	9.62	-45.02
COCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089604	0	44	0.0	-57.20	369.55	7.40	-49.80
CC1(C)CCCC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C1	REAL300012089605	0	45	0.0	-52.65	336.46	9.01	-43.64
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300012089606	0	37	0.0	-58.88	339.78	8.02	-50.86
CN1N=C(C2=CC=CC=C2)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1Cl	REAL300012089607	0	43	0.0	-48.51	376.03	9.29	-39.22
CC1=CCCC(C)C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089608	0	43	0.0	-53.14	326.36	8.93	-44.21
COC1=CC2=C(C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1)OCO2	REAL300012089609	0	40	0.0	-53.54	338.72	5.91	-47.63
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=CC3=CC=CC=C32)C1	REAL300012089610	0	38	0.0	-53.78	320.92	8.26	-45.52
CC(C)COC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089611	0	46	0.0	-53.39	377.46	9.62	-43.77
CC1=CC(Cl)=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089612	0	36	0.0	-53.16	312.97	8.91	-44.25
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC=CC2=CC=C(F)C=C2)C1	REAL300012089613	0	37	0.0	-58.69	322.00	9.24	-49.45
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Cl)N=C2)C1	REAL300012089614	0	32	0.0	-59.53	293.12	6.43	-53.10
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=CC(Br)=C2)C1	REAL300012089615	0	32	0.0	-56.76	297.64	6.62	-50.14
CN1N=NC2=CC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CC=C21	REAL300012089616	0	38	0.0	-64.40	328.49	6.34	-58.06
CC1(C)CC2=CC=CC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=C2O1	REAL300012089617	0	44	0.0	-48.56	358.71	9.01	-39.55
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Br)=CC3=C2OCC3)C1	REAL300012089618	0	38	0.0	-50.09	338.90	8.26	-41.83
COC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300012089619	0	36	0.0	-54.02	311.67	4.56	-49.46
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2=CC=CC=C2)=N1	REAL300012089620	0	43	0.0	-53.52	363.96	9.06	-44.46
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C1	REAL300012089621	0	40	0.0	-56.74	342.98	9.09	-47.65
CC(C)N1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300012089622	0	39	0.0	-55.62	327.58	7.07	-48.55
CC1=C(Br)SC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089623	0	33	0.0	-53.40	313.35	8.25	-45.15
CC1=NC2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=C2C=C1	REAL300012089624	0	41	0.0	-58.95	344.18	8.77	-50.18
COC1=CC=C(OC2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=C2)C=C1	REAL300012089625	0	48	0.0	-57.15	404.42	10.11	-47.04
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NC=CC=C2C(F)(F)F)C1	REAL300012089626	0	35	0.0	-47.09	308.20	6.97	-40.12
CC1=CC(C)=CC(C2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=C2)=C1	REAL300012089627	0	49	0.0	-55.52	401.58	12.65	-42.87
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1N1C=NC=N1	REAL300012089628	0	42	0.0	-61.50	355.76	11.33	-50.17
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC(F)=CC=C3O2)C1	REAL300012089629	0	36	0.0	-57.47	318.82	8.50	-48.97
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OCC(F)F)C=C2)C1	REAL300012089630	0	40	0.0	-59.75	348.87	8.44	-51.31
COCC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089631	0	40	0.0	-54.40	339.56	7.62	-46.78
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089632	0	43	0.0	-58.90	380.46	10.16	-48.74
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C1	REAL300012089633	0	47	0.0	-54.99	399.16	11.15	-43.84
CCCCOC1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089634	0	46	0.0	-48.33	377.56	9.77	-38.56
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C1	REAL300012089635	0	44	0.0	-57.83	385.14	11.98	-45.85
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C(OC(F)F)C=C1C	REAL300012089636	0	43	0.0	-51.73	358.41	8.64	-43.09
COC1=CC(C)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC	REAL300012089637	0	44	0.0	-56.29	358.03	7.70	-48.59
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089638	0	39	0.0	-58.13	347.72	8.76	-49.37
CS(=O)(=O)C1=CC=CC(Cl)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089639	0	39	0.0	-48.45	342.06	5.89	-42.56
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089640	0	42	0.0	-64.00	368.17	7.37	-56.63
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CNN=C2C2=CSC=C2)C1	REAL300012089641	0	37	0.0	-54.21	331.40	6.75	-47.46
CSC1=CC(Br)=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089642	0	37	0.0	-50.18	341.51	9.43	-40.75
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)C1	REAL300012089643	0	43	0.0	-60.32	375.16	9.63	-50.69
CC1CCC2=C(C1)SC(C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1)=N2	REAL300012089644	0	42	0.0	-50.60	353.84	8.26	-42.34
CC(C)(C)C1CCC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300012089645	0	51	0.0	-52.98	367.36	9.98	-43.00
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089646	0	47	0.0	-50.86	383.71	10.57	-40.29
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089647	0	47	0.0	-49.98	384.09	10.58	-39.40
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089648	0	46	0.0	-54.09	378.85	8.82	-45.27
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OCC3CC3)C=C2)C1	REAL300012089649	0	44	0.0	-54.17	364.44	9.60	-44.57
COC1=CC(Cl)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1Cl	REAL300012089650	0	37	0.0	-50.32	338.82	8.12	-42.20
CC(C)CC1=NC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012089651	0	41	0.0	-53.60	352.44	8.07	-45.53
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3=CC=CS3)S2)C1	REAL300012089652	0	36	0.0	-55.33	341.48	7.99	-47.34
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3=CSC=C3)S2)C1	REAL300012089653	0	36	0.0	-54.55	339.24	7.81	-46.74
CC1=CC=C(C2=NC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)S2)O1	REAL300012089654	0	39	0.0	-55.78	351.18	7.72	-48.06
CC1=CC(Br)=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089655	0	36	0.0	-53.25	317.54	9.03	-44.22
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Cl)C(Br)=C2)C1	REAL300012089656	0	33	0.0	-58.74	320.63	8.97	-49.77
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CNN=C2C2=CC=CC=C2F)C1	REAL300012089657	0	40	0.0	-55.48	347.42	7.83	-47.65
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)C1	REAL300012089658	0	42	0.0	-56.59	358.35	9.61	-46.98
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Cl)OC3=CC=CC=C32)C1	REAL300012089659	0	36	0.0	-51.79	328.62	8.86	-42.93
COCCOC1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089660	0	44	0.0	-49.47	368.13	7.45	-42.02
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Cl)C=C2Br)C1	REAL300012089661	0	33	0.0	-49.01	313.58	8.90	-40.11
COC1=C(Br)C=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089662	0	37	0.0	-51.66	331.37	7.85	-43.81
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NC3=C(CCC3)S2)C1	REAL300012089663	0	36	0.0	-50.81	312.10	6.96	-43.85
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2=CC=CS2)=N1	REAL300012089664	0	40	0.0	-51.17	348.06	8.22	-42.95
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=CC=C2OC2CCCC2)C1	REAL300012089665	0	47	0.0	-49.04	391.35	10.55	-38.49
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Cl)C=CC=C2OC2=CC=CC=C2)C1	REAL300012089666	0	44	0.0	-45.30	382.41	11.00	-34.30
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089667	0	52	0.0	-53.71	407.05	11.35	-42.36
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089668	0	37	0.0	-55.16	314.00	7.20	-47.96
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)C1	REAL300012089669	0	40	0.0	-54.76	348.07	9.74	-45.02
CC(C)(C)C1=NC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012089670	0	41	0.0	-52.26	348.31	7.58	-44.68
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C3OCCOC3=C2)C1	REAL300012089671	0	39	0.0	-55.71	325.92	6.95	-48.76
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(Br)=C2)C1	REAL300012089672	0	33	0.0	-54.93	305.85	8.50	-46.43
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(Cl)=C2)C1	REAL300012089673	0	33	0.0	-54.08	298.14	8.30	-45.78
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(C3=CC=CC=C3)N=C2)C1	REAL300012089674	0	40	0.0	-57.62	340.25	9.00	-48.62
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(CC3=CC=CC=C3Cl)N=C2)C1	REAL300012089675	0	43	0.0	-58.50	381.36	10.04	-48.46
CC(C)(C)N1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300012089676	0	42	0.0	-55.35	347.28	7.72	-47.63
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC(C)=C1	REAL300012089677	0	39	0.0	-52.13	327.37	9.23	-42.90
CC(=O)NC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089678	0	40	0.0	-57.89	337.29	6.70	-51.19
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2Cl)C1	REAL300012089679	0	33	0.0	-48.68	297.25	8.33	-40.35
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012089680	0	35	0.0	-64.84	312.78	8.58	-56.26
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300012089681	0	35	0.0	-66.65	312.77	8.55	-58.10
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC3=CC=CC=C32)C1	REAL300012089682	0	39	0.0	-52.26	325.50	10.03	-42.23
CN(C)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089683	0	41	0.0	-52.50	336.08	8.30	-44.20
CCN(CC)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089684	0	47	0.0	-50.66	376.55	10.10	-40.56
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Br)C=C2)C1	REAL300012089685	0	33	0.0	-55.21	302.76	8.43	-46.78
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Cl)C=C2)C1	REAL300012089686	0	33	0.0	-56.05	301.29	8.43	-47.62
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC(OC)=C1OC	REAL300012089687	0	45	0.0	-60.27	373.37	6.92	-53.35
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(F)C=CC=C2Cl)C1	REAL300012089688	0	33	0.0	-46.40	300.83	8.23	-38.17
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2OC(F)F)C1	REAL300012089689	0	37	0.0	-52.77	322.40	7.54	-45.23
COC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1OC	REAL300012089690	0	41	0.0	-50.48	343.84	7.23	-43.25
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Cl)C=C2Cl)C1	REAL300012089691	0	33	0.0	-49.81	309.94	8.78	-41.03
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(N3CCOCC3)C=C2)C1	REAL300012089692	0	46	0.0	-54.05	365.42	6.63	-47.42
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC	REAL300012089693	0	41	0.0	-58.38	343.24	7.10	-51.28
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(OC)=C1	REAL300012089694	0	41	0.0	-51.13	342.13	6.53	-44.60
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012089695	0	36	0.0	-58.62	323.23	8.90	-49.72
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C=C2F)C1	REAL300012089696	0	33	0.0	-54.48	295.37	8.02	-46.46
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(Cl)=C2Cl)C1	REAL300012089697	0	33	0.0	-51.91	309.30	8.69	-43.22
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300012089698	0	33	0.0	-58.77	316.41	8.86	-49.91
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OC(F)F)C=C2)C1	REAL300012089699	0	37	0.0	-56.53	322.33	7.42	-49.11
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2C(F)(F)F)C1	REAL300012089700	0	36	0.0	-56.23	312.99	8.96	-47.27
CCCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089701	0	46	0.0	-54.89	378.91	9.72	-45.17
CC(C)CCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089702	0	49	0.0	-54.77	396.49	10.23	-44.54
CCCCCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089703	0	52	0.0	-54.63	421.91	11.28	-43.35
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300012089704	0	44	0.0	-55.47	374.96	10.82	-44.65
CCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(OCCC)=C1	REAL300012089705	0	53	0.0	-50.24	428.94	10.00	-40.24
COC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089706	0	37	0.0	-53.82	313.99	7.20	-46.62
CC(=CC1=CC=CC=C1)C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089707	0	40	0.0	-53.27	329.64	9.56	-43.71
CCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC	REAL300012089708	0	44	0.0	-58.29	365.09	8.02	-50.27
CC(C)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089709	0	42	0.0	-52.25	344.72	9.82	-42.43
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300012089710	0	36	0.0	-56.44	320.47	8.80	-47.64
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(OC)=C1OC	REAL300012089711	0	45	0.0	-54.51	376.38	7.09	-47.42
CCOC1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089712	0	40	0.0	-48.30	334.46	8.19	-40.11
CCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089713	0	40	0.0	-55.00	335.86	8.13	-46.87
COC1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089714	0	37	0.0	-48.42	309.51	7.16	-41.26
COC1=CC=C(Br)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089715	0	37	0.0	-50.44	334.00	7.87	-42.57
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC(Br)=C1O	REAL300012089716	0	38	0.0	-59.68	345.16	5.67	-54.01
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300012089717	0	43	0.0	-54.31	355.63	11.21	-43.10
COC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C2=CC=CC=C2C=C1	REAL300012089718	0	43	0.0	-47.32	351.79	9.27	-38.05
CSC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089719	0	37	0.0	-54.39	321.62	8.82	-45.57
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Cl)C=CC=C2Cl)C1	REAL300012089720	0	33	0.0	-45.97	312.68	8.72	-37.25
COC1=CC(OC)=C(OC)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089721	0	45	0.0	-53.79	369.89	6.40	-47.39
CCC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089722	0	39	0.0	-52.29	327.39	9.33	-42.96
CC1=CC(C)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=C1	REAL300012089723	0	42	0.0	-49.04	336.06	9.53	-39.51
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(F)C=CC=C2F)C1	REAL300012089724	0	33	0.0	-47.80	292.10	7.83	-39.97
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C(F)=C2)C1	REAL300012089725	0	33	0.0	-60.14	294.18	7.92	-52.22
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089726	0	43	0.0	-53.99	377.89	9.88	-44.11
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)C1	REAL300012089727	0	47	0.0	-54.09	392.74	11.09	-43.00
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2Br)C1	REAL300012089728	0	33	0.0	-48.01	300.83	8.44	-39.57
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1O	REAL300012089729	0	38	0.0	-58.45	324.81	5.03	-53.42
CC1=NN(C)C(C)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089730	0	39	0.0	-55.21	325.45	6.63	-48.58
CC1=NN(C)C(Cl)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089731	0	36	0.0	-50.94	320.61	6.47	-44.47
CCC1=NN(C)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089732	0	39	0.0	-53.52	321.22	6.95	-46.57
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(CC(F)(F)F)N=C2)C1	REAL300012089733	0	36	0.0	-62.03	326.72	7.06	-54.97
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C(C)(C)C)=N1	REAL300012089734	0	45	0.0	-51.79	352.14	8.01	-43.78
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2I)C1	REAL300012089735	0	33	0.0	-47.39	305.34	8.92	-38.47
CN(CCC#N)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089736	0	45	0.0	-57.41	377.35	9.71	-47.70
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)C1	REAL300012089737	0	43	0.0	-50.78	361.53	9.54	-41.24
CCOC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1OC	REAL300012089738	0	44	0.0	-50.00	362.97	8.05	-41.95
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OCC(N)=O	REAL300012089739	0	45	0.0	-70.68	381.89	5.07	-65.61
C#CCOC1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089740	0	39	0.0	-49.40	340.29	8.73	-40.67
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC2=C1OCO2	REAL300012089741	0	40	0.0	-62.52	340.14	5.86	-56.66
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NN(C3=CC=CC=C3)N=C2)C1	REAL300012089742	0	39	0.0	-55.25	335.85	7.57	-47.68
COC1=CC2=C(C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1)OC(C)C2	REAL300012089743	0	45	0.0	-50.05	366.52	7.74	-42.31
CCN(C(C)=O)C1=NC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CS1	REAL300012089744	0	42	0.0	-54.98	359.96	7.62	-47.36
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1C	REAL300012089745	0	40	0.0	-53.90	331.00	7.84	-46.06
CC(C)(C)C1=NNC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089746	0	42	0.0	-52.70	328.20	6.68	-46.02
COC1=CC=CC(OC)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089747	0	41	0.0	-45.30	337.73	6.50	-38.80
COC1=CC=C(F)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089748	0	37	0.0	-51.09	318.56	7.22	-43.87
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(I)=C2)C1	REAL300012089749	0	33	0.0	-53.99	309.19	8.88	-45.11
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(I)C=C2)C1	REAL300012089750	0	33	0.0	-55.08	309.26	8.90	-46.18
CSC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012089751	0	34	0.0	-52.28	315.37	8.14	-44.14
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089752	0	46	0.0	-47.62	370.98	11.62	-36.00
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC3=C2OCO3)C1	REAL300012089753	0	36	0.0	-53.65	307.44	6.43	-47.22
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Cl)C=CS2)C1	REAL300012089754	0	30	0.0	-48.31	286.92	7.33	-40.98
CS(=O)(=O)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089755	0	39	0.0	-63.80	345.19	5.42	-58.38
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C1	REAL300012089756	0	43	0.0	-56.31	375.44	11.83	-44.48
COC1=CC=C(F)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089757	0	37	0.0	-51.12	317.61	7.26	-43.86
NC(=O)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089758	0	37	0.0	-63.58	319.11	4.68	-58.90
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1F	REAL300012089759	0	37	0.0	-60.52	320.22	7.27	-53.25
COC1=CC=C(Cl)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089760	0	37	0.0	-50.36	327.94	7.71	-42.65
COC(=O)C1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CN1C	REAL300012089761	0	40	0.0	-58.33	341.27	8.01	-50.32
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1Cl	REAL300012089762	0	36	0.0	-54.85	319.97	9.00	-45.85
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1C	REAL300012089763	0	40	0.0	-54.63	334.07	7.93	-46.70
CC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1F	REAL300012089764	0	36	0.0	-50.39	310.44	8.55	-41.84
N#CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(F)=C1	REAL300012089765	0	34	0.0	-60.03	309.77	8.33	-51.70
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C1	REAL300012089766	0	46	0.0	-55.71	385.44	9.38	-46.33
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Br)C=N2)C1	REAL300012089767	0	32	0.0	-54.35	300.79	6.67	-47.68
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(N3CCOCC3)S2)C1	REAL300012089768	0	42	0.0	-56.17	358.17	5.21	-50.96
C#CCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089769	0	42	0.0	-55.89	363.20	9.46	-46.43
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN3C=CC=CC3=N2)C1	REAL300012089770	0	36	0.0	-53.16	310.16	8.36	-44.80
CC1=NN(C)C2=NC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=C12	REAL300012089771	0	41	0.0	-63.95	350.79	7.63	-56.32
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC(C3CC3)=N2)C1	REAL300012089772	0	36	0.0	-49.68	317.86	7.01	-42.67
CCC1=NC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CS1	REAL300012089773	0	35	0.0	-51.02	312.61	6.35	-44.67
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C1	REAL300012089774	0	36	0.0	-54.47	328.25	8.89	-45.58
CCOCC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1OC	REAL300012089775	0	47	0.0	-53.86	388.14	8.12	-45.74
NC(=O)C1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089776	0	37	0.0	-59.16	319.05	4.66	-54.50
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NC=CN2CC(F)(F)F)C1	REAL300012089777	0	36	0.0	-57.73	321.76	7.37	-50.36
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2CCCCCCC2)C1	REAL300012089778	0	45	0.0	-52.91	327.17	9.08	-43.83
COC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1F	REAL300012089779	0	37	0.0	-53.06	316.29	7.12	-45.94
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(F)C=CC=C2Br)C1	REAL300012089780	0	33	0.0	-46.60	307.88	8.41	-38.19
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C3CCCC3=C2)C1	REAL300012089781	0	40	0.0	-52.60	330.02	9.81	-42.79
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC=C2Br)C1	REAL300012089782	0	30	0.0	-48.59	292.90	7.38	-41.21
CC(C)COC1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089783	0	46	0.0	-48.25	376.18	9.67	-38.58
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NC3=C(CCCC3)S2)C1	REAL300012089784	0	39	0.0	-50.69	333.03	7.65	-43.04
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(F)=CC(Br)=C2)C1	REAL300012089785	0	33	0.0	-56.56	309.16	8.47	-48.09
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC=NC=C3C=C2)C1	REAL300012089786	0	38	0.0	-59.44	325.56	8.37	-51.07
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(F)=C2Br)C1	REAL300012089787	0	33	0.0	-52.30	305.72	8.52	-43.78
COC1=CC(F)=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089788	0	37	0.0	-55.31	317.39	7.17	-48.14
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(Br)=C2F)C1	REAL300012089789	0	33	0.0	-53.89	307.57	8.42	-45.47
CC(C)(C)C1=NC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300012089790	0	43	0.0	-57.45	353.03	7.75	-49.70
CS(=O)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089791	0	38	0.0	-64.41	333.63	6.38	-58.03
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C3CCCCC3=C2)C1	REAL300012089792	0	43	0.0	-52.37	347.27	10.38	-41.99
COC(=O)C1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CN1	REAL300012089793	0	37	0.0	-60.44	326.16	6.33	-54.11
COCC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)O1	REAL300012089794	0	37	0.0	-53.39	317.73	5.80	-47.59
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=C1OC	REAL300012089795	0	44	0.0	-55.68	355.16	7.68	-48.00
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC(Cl)=C2Cl)C1	REAL300012089796	0	30	0.0	-52.18	302.48	7.80	-44.38
CC1=NC(F)=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089797	0	35	0.0	-60.43	301.42	6.59	-53.84
COC1=CC(C)=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089798	0	40	0.0	-48.66	334.06	7.92	-40.74
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C(F)(F)F)S2)C1	REAL300012089799	0	32	0.0	-58.94	307.47	6.20	-52.74
CS(=O)(=O)C1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089800	0	39	0.0	-62.00	345.26	5.42	-56.58
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=CS2)C1	REAL300012089801	0	30	0.0	-52.47	288.55	7.41	-45.06
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3CCCC3)C=C2)C1	REAL300012089802	0	46	0.0	-52.30	368.70	11.11	-41.19
CC1=CC(Cl)=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089803	0	36	0.0	-53.62	319.62	8.97	-44.65
COCC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089804	0	40	0.0	-54.39	338.23	7.59	-46.80
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NC=CN2C2=CC=CC=C2)C1	REAL300012089805	0	40	0.0	-48.91	341.87	9.55	-39.36
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3CC3)C=C2)C1	REAL300012089806	0	40	0.0	-51.77	331.06	9.92	-41.85
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NC=C(Cl)S2)C1	REAL300012089807	0	29	0.0	-52.45	283.26	5.55	-46.90
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=NN2C2CCCC2)C1	REAL300012089808	0	43	0.0	-56.45	350.71	8.39	-48.06
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089809	0	43	0.0	-51.15	355.26	9.42	-41.73
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C(F)F)C=C2)C1	REAL300012089810	0	36	0.0	-56.27	316.68	8.77	-47.50
COC1=CC(C)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=N1	REAL300012089811	0	42	0.0	-55.67	345.26	5.64	-50.03
COC1=CC=CC(Cl)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089812	0	37	0.0	-46.32	326.72	7.66	-38.66
CCC1=CC(OC)=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089813	0	43	0.0	-52.87	347.52	8.47	-44.40
CC1=NC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)N1C1=CC=CC=C1	REAL300012089814	0	43	0.0	-51.69	365.14	10.22	-41.47
CCCN1N=C(C)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1C	REAL300012089815	0	45	0.0	-54.80	368.66	8.25	-46.55
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3CC3)N=C2)C1	REAL300012089816	0	38	0.0	-58.17	323.41	7.45	-50.72
COCCN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300012089817	0	40	0.0	-56.86	341.09	5.56	-51.30
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3CCC3)C=C2)C1	REAL300012089818	0	43	0.0	-51.45	347.17	10.38	-41.07
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC2=CC=CC=C21	REAL300012089819	0	43	0.0	-55.76	355.93	9.39	-46.37
CCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1F	REAL300012089820	0	40	0.0	-58.48	339.05	8.10	-50.38
COC1=CC=CC2=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=CC=C12	REAL300012089821	0	43	0.0	-53.80	350.86	9.30	-44.50
N#CC1=CSC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089822	0	31	0.0	-60.25	294.35	7.37	-52.88
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1C#N	REAL300012089823	0	38	0.0	-66.25	334.20	7.61	-58.64
CC1=CC=CC=C1N1N=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089824	0	43	0.0	-52.79	359.94	9.72	-43.07
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NC=C(C(F)(F)F)S2)C1	REAL300012089825	0	32	0.0	-54.61	306.77	6.11	-48.50
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1C#N	REAL300012089826	0	37	0.0	-61.80	321.43	8.69	-53.11
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C1	REAL300012089827	0	40	0.0	-57.22	345.76	6.10	-51.12
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(Br)=C1	REAL300012089828	0	37	0.0	-48.51	326.34	7.67	-40.84
CC(C)CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300012089829	0	42	0.0	-54.69	342.61	8.05	-46.64
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2C2CC2)C1	REAL300012089830	0	40	0.0	-49.66	324.44	9.80	-39.86
CC1=CC(Br)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012089831	0	33	0.0	-47.90	316.05	8.34	-39.56
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089832	0	48	0.0	-56.98	391.17	10.51	-46.47
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089833	0	43	0.0	-44.48	373.71	10.60	-33.88
CCC1=CN=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012089834	0	35	0.0	-49.66	310.03	6.54	-43.12
CN1C(=O)CCC2=CC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CC=C21	REAL300012089835	0	44	0.0	-62.74	360.42	8.81	-53.93
CC1=CC=C(OC(F)F)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089836	0	40	0.0	-52.26	342.33	8.15	-44.11
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C1	REAL300012089837	0	39	0.0	-54.90	363.17	9.33	-45.57
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)C1	REAL300012089838	0	39	0.0	-57.81	354.05	9.15	-48.66
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089839	0	50	0.0	-50.32	408.61	11.33	-38.99
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300012089840	0	44	0.0	-49.99	382.92	10.28	-39.71
CC1=NN(C(C)C)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089841	0	42	0.0	-54.08	344.02	7.57	-46.51
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3CCCC3)S2)C1	REAL300012089842	0	42	0.0	-52.48	353.38	8.43	-44.05
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)C1	REAL300012089843	0	39	0.0	-55.56	354.60	9.04	-46.52
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3CC3)S2)C1	REAL300012089844	0	36	0.0	-53.96	322.42	7.52	-46.44
CC(C)C1=NC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012089845	0	38	0.0	-52.56	330.84	7.12	-45.44
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3=CC=CO3)S2)C1	REAL300012089846	0	36	0.0	-57.27	332.30	7.00	-50.27
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Br)C(Cl)=C2)C1	REAL300012089847	0	33	0.0	-58.84	320.63	8.96	-49.88
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)C1	REAL300012089848	0	45	0.0	-54.39	391.00	10.30	-44.09
CN1C=C(C2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=C2)C=N1	REAL300012089849	0	43	0.0	-57.62	361.64	9.12	-48.50
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(CC(F)F)N=C2)C1	REAL300012089850	0	36	0.0	-57.72	318.74	6.74	-50.98
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C1	REAL300012089851	0	44	0.0	-60.60	379.67	10.83	-49.77
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2=CC=C(F)C=C2)=N1	REAL300012089852	0	43	0.0	-56.06	370.28	9.12	-46.94
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2=CC=C(C#N)C=C2)=N1	REAL300012089853	0	44	0.0	-60.20	381.65	9.35	-50.85
CN(C)C(=O)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)N1	REAL300012089854	0	41	0.0	-64.93	341.58	6.06	-58.87
NC(=O)C1=CSC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089855	0	34	0.0	-58.38	307.81	3.66	-54.72
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300012089856	0	47	0.0	-60.10	392.87	10.32	-49.78
CCC1=NN(C)C(CC)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089857	0	45	0.0	-52.20	361.45	8.19	-44.01
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3CCC3)S2)C1	REAL300012089858	0	39	0.0	-53.62	339.05	8.01	-45.61
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3CCCO3)S2)C1	REAL300012089859	0	40	0.0	-55.78	345.10	6.01	-49.77
CC1=CC=CC=C1N1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)N=N1	REAL300012089860	0	42	0.0	-56.32	350.24	8.36	-47.96
CN1N=C(Br)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089861	0	33	0.0	-59.50	305.41	5.91	-53.59
CN1C=C(C2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)S2)C=N1	REAL300012089862	0	40	0.0	-56.81	358.52	8.58	-48.23
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C3OCCCCOC3=C2)C1	REAL300012089863	0	45	0.0	-57.36	363.61	8.79	-48.57
CCOC1=C(Cl)C=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089864	0	40	0.0	-51.15	348.87	8.67	-42.48
CCC1=CC=CC(F)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089865	0	39	0.0	-47.75	321.85	9.04	-38.71
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C(Cl)=C2Cl)C1	REAL300012089866	0	33	0.0	-55.83	315.22	8.75	-47.08
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NN(C(F)F)C=C2)C1	REAL300012089867	0	33	0.0	-53.42	297.76	5.71	-47.71
COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089868	0	44	0.0	-54.05	370.07	8.27	-45.78
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300012089869	0	37	0.0	-47.87	331.39	7.66	-40.21
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)C1	REAL300012089870	0	40	0.0	-55.77	347.17	8.85	-46.92
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2=CN(C)N=C2)=C1	REAL300012089871	0	46	0.0	-48.82	379.10	9.63	-39.19
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2=CC=NN2C)=C1	REAL300012089872	0	46	0.0	-50.22	378.41	9.39	-40.83
CC(C)C1=CN=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012089873	0	38	0.0	-50.51	332.64	7.20	-43.31
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)C1	REAL300012089874	0	43	0.0	-51.96	383.74	9.87	-42.09
CC(C)(C)C1=CN=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012089875	0	41	0.0	-50.41	350.90	7.68	-42.73
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(C3CC3)N=CS2)C1	REAL300012089876	0	36	0.0	-52.64	317.38	7.24	-45.40
N#CCCN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2=CC=NC=C2)=N1	REAL300012089877	0	46	0.0	-63.65	397.92	8.57	-55.08
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)C1	REAL300012089878	0	39	0.0	-50.16	342.50	11.39	-38.77
COC(=O)C1=C(C)N(C)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089879	0	43	0.0	-60.70	361.35	8.41	-52.29
COCCCN1N=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089880	0	43	0.0	-58.11	359.15	6.11	-52.00
CC1=CC(F)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(Cl)=C1	REAL300012089881	0	36	0.0	-46.03	322.25	8.90	-37.13
COCCOCC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089882	0	47	0.0	-55.49	392.42	7.77	-47.72
CSCC1=CN=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012089883	0	36	0.0	-52.96	335.97	7.08	-45.88
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC=C2C(F)(F)F)C1	REAL300012089884	0	33	0.0	-48.55	304.43	7.87	-40.68
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)SC2=C(Cl)C=CC=C12	REAL300012089885	0	39	0.0	-54.16	355.04	10.45	-43.71
CCN1N=C(C)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300012089886	0	38	0.0	-53.99	323.67	5.49	-48.50
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CNC(C(=O)OCC3=CC=CC=C3)=C2)C1	REAL300012089887	0	47	0.0	-60.60	407.93	10.30	-50.30
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(C3CC3)=C2)C1	REAL300012089888	0	40	0.0	-51.59	330.69	9.90	-41.69
N#CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1F	REAL300012089889	0	34	0.0	-65.81	308.22	8.24	-57.57
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C1	REAL300012089890	0	36	0.0	-62.08	321.02	6.89	-55.19
CC1=CC(F)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(F)=C1	REAL300012089891	0	36	0.0	-47.32	313.50	8.52	-38.80
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)O1	REAL300012089892	0	43	0.0	-52.42	365.44	8.22	-44.20
CC(C)CN1N=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089893	0	42	0.0	-55.47	339.20	7.37	-48.10
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Br)=CN=C2Cl)C1	REAL300012089894	0	32	0.0	-53.02	312.79	7.12	-45.90
COC(=O)C1=C(C)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CN1	REAL300012089895	0	40	0.0	-58.53	339.02	6.80	-51.73
CC1=CC=C(C2=NC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)S2)C=C1C	REAL300012089896	0	45	0.0	-54.19	384.87	10.03	-44.16
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089897	0	43	0.0	-55.34	366.36	9.68	-45.66
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089898	0	43	0.0	-56.47	377.09	10.32	-46.15
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089899	0	46	0.0	-56.85	381.23	10.27	-46.58
CC(C)(C#N)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089900	0	43	0.0	-59.31	361.19	9.86	-49.45
CC(C)C1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089901	0	42	0.0	-49.98	338.47	9.67	-40.31
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NN3CCCCC3=C2)C1	REAL300012089902	0	40	0.0	-50.52	326.44	7.14	-43.38
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=NN2C2=CC=CC=C2)C1	REAL300012089903	0	39	0.0	-57.42	334.84	7.54	-49.88
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CN=CC=C3O2)C1	REAL300012089904	0	35	0.0	-58.51	307.17	6.69	-51.82
COC1=CC(OC)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1F	REAL300012089905	0	41	0.0	-53.80	345.22	6.52	-47.28
COC1=CC(F)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC	REAL300012089906	0	41	0.0	-54.95	347.71	7.13	-47.82
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(Cl)=C1	REAL300012089907	0	36	0.0	-46.82	314.61	8.94	-37.88
CCC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089908	0	39	0.0	-51.28	324.29	9.22	-42.06
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089909	0	46	0.0	-57.02	381.29	10.26	-46.76
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(F)=C1	REAL300012089910	0	37	0.0	-53.24	318.46	7.24	-46.00
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC3=C2CCC3)C1	REAL300012089911	0	40	0.0	-50.62	325.61	9.60	-41.02
COC1=CC=CC(F)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089912	0	37	0.0	-46.44	314.93	7.18	-39.26
CCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=C1	REAL300012089913	0	46	0.0	-52.24	369.08	9.43	-42.81
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC=NC=C3S2)C1	REAL300012089914	0	35	0.0	-56.49	313.53	7.54	-48.95
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C3CCCN3N=C2)C1	REAL300012089915	0	37	0.0	-55.01	307.89	6.39	-48.62
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC(Br)=CC=C3O2)C1	REAL300012089916	0	36	0.0	-55.26	330.64	8.94	-46.32
CCC1=C2OC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CC2=CC=C1	REAL300012089917	0	42	0.0	-53.58	352.19	9.75	-43.83
C=CCCN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)N=N1	REAL300012089918	0	39	0.0	-55.93	333.94	6.45	-49.48
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=NN2CC2CC2)C1	REAL300012089919	0	40	0.0	-50.50	325.20	7.65	-42.85
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(OC3CC3)=C2F)C1	REAL300012089920	0	41	0.0	-53.67	347.33	8.79	-44.88
CCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=C1	REAL300012089921	0	43	0.0	-52.33	347.58	8.64	-43.69
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(F)=C2OC(F)F)C1	REAL300012089922	0	37	0.0	-54.64	328.85	7.59	-47.05
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(F)=CC=C2OC(F)F)C1	REAL300012089923	0	37	0.0	-54.79	328.80	7.60	-47.19
COC1=NC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089924	0	36	0.0	-51.45	307.18	4.56	-46.89
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(C3CCCC3)=C2)C1	REAL300012089925	0	46	0.0	-52.31	368.72	11.10	-41.21
CN1C=C(C2=NN(C)C=C2C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300012089926	0	43	0.0	-55.36	367.80	6.89	-48.47
COCC1=CSC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089927	0	37	0.0	-50.91	326.93	6.62	-44.29
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(C3CCC3)N=N2)C1	REAL300012089928	0	39	0.0	-56.76	324.59	6.25	-50.51
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)C1	REAL300012089929	0	39	0.0	-55.80	363.61	9.35	-46.45
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC(C(F)(F)F)=C2)C1	REAL300012089930	0	33	0.0	-58.19	315.19	8.04	-50.15
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)O2)C1	REAL300012089931	0	33	0.0	-57.47	306.43	7.25	-50.22
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(C(F)(F)F)SC=C2)C1	REAL300012089932	0	33	0.0	-50.41	306.37	8.00	-42.41
CN(C)C1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=CC(F)=C1F	REAL300012089933	0	41	0.0	-56.39	344.14	7.96	-48.43
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(F)C=CC(F)=C2Cl)C1	REAL300012089934	0	33	0.0	-48.41	306.63	8.27	-40.14
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OC3CCOC3)C=C2)C1	REAL300012089935	0	45	0.0	-56.49	369.85	7.52	-48.97
CN(C)C1=CC(F)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1F	REAL300012089936	0	41	0.0	-54.24	350.95	7.45	-46.79
COC(=O)C1=C2CCCCN2C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089937	0	47	0.0	-60.77	386.18	9.64	-51.13
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C(F)=C2F)C1	REAL300012089938	0	33	0.0	-59.51	302.66	8.04	-51.47
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC(C(F)(F)F)=C1	REAL300012089939	0	40	0.0	-56.95	351.73	8.17	-48.78
C=CCOC1=C(Cl)C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC	REAL300012089940	0	45	0.0	-60.54	397.97	9.27	-51.27
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC1CC1	REAL300012089941	0	45	0.0	-59.31	374.29	8.76	-50.55
CCCN1N=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089942	0	39	0.0	-54.69	323.70	7.16	-47.53
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089943	0	36	0.0	-61.89	325.17	6.41	-55.48
COCC(C)OC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089944	0	47	0.0	-55.76	383.00	7.99	-47.77
CCCC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012089945	0	39	0.0	-51.09	339.59	9.36	-41.73
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C1	REAL300012089946	0	40	0.0	-55.69	351.87	10.52	-45.17
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=NN2CCC2=CC=CC=C2)C1	REAL300012089947	0	46	0.0	-56.69	385.32	10.04	-46.65
CC(C)C1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089948	0	42	0.0	-52.16	344.73	9.82	-42.34
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(Cl)=N1	REAL300012089949	0	33	0.0	-54.18	301.26	6.03	-48.15
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)C1	REAL300012089950	0	40	0.0	-55.51	362.10	8.81	-46.70
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1C(C)(C)C	REAL300012089951	0	49	0.0	-54.11	385.18	9.87	-44.24
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(CC3CCC3)=C2)C1	REAL300012089952	0	46	0.0	-51.41	372.52	11.31	-40.10
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089953	0	41	0.0	-47.57	357.38	7.12	-40.45
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=NC=C1Br	REAL300012089954	0	35	0.0	-52.28	316.23	7.13	-45.15
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C(Br)C=C1F	REAL300012089955	0	36	0.0	-51.50	326.70	9.18	-42.32
O=C([O-])[C@@]1(C(F)(F)F)C[C@H]([NH2+]CC2=C(O)C=CC=C2Br)C1	REAL300012089956	0	34	0.0	-48.92	309.63	5.50	-43.42
CN1C=C(C2=NC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CS2)C=N1	REAL300012089957	0	39	0.0	-54.51	350.91	6.37	-48.14
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1Cl	REAL300012089958	0	37	0.0	-58.79	330.02	7.75	-51.04
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=NN2CC2CCC2)C1	REAL300012089959	0	43	0.0	-55.32	348.15	8.17	-47.15
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)C1	REAL300012089960	0	39	0.0	-58.58	340.72	7.68	-50.90
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2CC(F)(F)F)C1	REAL300012089961	0	39	0.0	-53.68	333.70	9.47	-44.21
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(Br)=N1	REAL300012089962	0	33	0.0	-54.35	307.97	6.19	-48.16
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(F)=C1	REAL300012089963	0	36	0.0	-50.55	310.48	8.62	-41.93
CC(=O)NC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089964	0	40	0.0	-62.19	340.62	6.79	-55.40
CN1N=CC2=CC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CN=C21	REAL300012089965	0	38	0.0	-62.32	325.71	6.92	-55.40
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NC=C(Br)C=C2F)C1	REAL300012089966	0	32	0.0	-50.48	306.14	6.70	-43.78
COC1=CC(Cl)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC	REAL300012089967	0	41	0.0	-53.23	355.11	7.58	-45.65
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C1	REAL300012089968	0	39	0.0	-55.92	345.51	9.69	-46.23
CN1N=C2CCCCC2=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089969	0	43	0.0	-56.63	348.68	7.88	-48.75
CCOC(=O)C1=C(C)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C(C)N1	REAL300012089970	0	46	0.0	-56.89	381.80	8.18	-48.71
CC1=C(C)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CS1	REAL300012089971	0	36	0.0	-51.15	311.11	8.22	-42.93
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(Cl)C(F)=C2)C1	REAL300012089972	0	32	0.0	-62.31	299.01	6.48	-55.83
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C1	REAL300012089973	0	43	0.0	-57.33	377.52	11.87	-45.46
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Br)C(F)=C2F)C1	REAL300012089974	0	33	0.0	-58.20	316.96	8.58	-49.62
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Br)SC=C2)C1	REAL300012089975	0	30	0.0	-48.91	292.52	7.56	-41.35
CCOC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C(F)C=C1OC	REAL300012089976	0	44	0.0	-54.85	369.56	8.05	-46.80
COC1=NC=C(Br)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089977	0	36	0.0	-51.61	328.58	5.17	-46.44
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C1	REAL300012089978	0	39	0.0	-56.01	328.00	9.97	-46.04
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CN=C2Br)C1	REAL300012089979	0	32	0.0	-52.71	295.05	6.58	-46.13
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(Br)=C2Cl)C1	REAL300012089980	0	33	0.0	-51.98	313.51	8.79	-43.19
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)C1	REAL300012089981	0	37	0.0	-55.91	334.79	7.88	-48.03
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089982	0	43	0.0	-50.63	358.83	8.88	-41.75
CCOC1=CC(F)=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089983	0	40	0.0	-56.06	342.27	8.19	-47.87
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)C1	REAL300012089984	0	47	0.0	-64.86	380.56	8.91	-55.95
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OC(F)F)C=C2F)C1	REAL300012089985	0	37	0.0	-54.09	328.22	7.53	-46.56
CC(C)(C)OC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012089986	0	46	0.0	-53.26	364.90	9.04	-44.22
CC1=C(Cl)C=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089987	0	36	0.0	-53.24	313.47	8.95	-44.29
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C(F)C=C1C	REAL300012089988	0	40	0.0	-51.87	338.55	7.97	-43.90
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=C1Br	REAL300012089989	0	39	0.0	-52.71	333.16	9.43	-43.28
CC1=CC=NC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1Br	REAL300012089990	0	35	0.0	-46.11	313.04	7.03	-39.08
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012089991	0	50	0.0	-57.05	406.37	8.15	-48.90
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2=CC(F)=CC=C2F)=N1	REAL300012089992	0	43	0.0	-55.30	373.72	9.10	-46.20
CC(C)(C)C1=CSC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300012089993	0	41	0.0	-50.98	350.08	7.62	-43.36
COCCC1=NC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012089994	0	39	0.0	-55.82	346.38	5.67	-50.15
O=C([O-])[C@@]1(C(F)(F)F)C[C@H]([NH2+]CC2=CC(F)=CC(F)=C2O)C1	REAL300012089996	1	34	0.0	-56.07	306.76	5.24	-50.83
CN1N=C2CCSCC2=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012089997	0	41	0.0	-57.34	344.96	7.43	-49.91
CCN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2=CC=CC=C2)=N1	REAL300012089998	0	46	0.0	-51.76	382.28	9.83	-41.93
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC3=C2CCOC3)C1	REAL300012089999	0	41	0.0	-53.02	331.32	7.86	-45.16
COCC1=C(C)C=C(C)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1C	REAL300012090000	0	49	0.0	-51.15	383.37	9.02	-42.13
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C3OC(=O)OC3=C2)C1	REAL300012090001	0	35	0.0	-66.48	309.20	8.35	-58.13
CC1=C(Br)C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012090002	0	33	0.0	-52.32	314.63	8.30	-44.02
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C1	REAL300012090003	0	43	0.0	-55.63	372.35	11.72	-43.91
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC3=NC=CC=C23)C1	REAL300012090004	0	38	0.0	-56.93	317.52	8.04	-48.89
CCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1C	REAL300012090005	0	46	0.0	-53.61	374.34	9.56	-44.05
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=NC=CN=C3C=C2)C1	REAL300012090006	0	37	0.0	-60.70	320.55	6.31	-54.39
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1CN1C=CC=N1	REAL300012090007	0	47	0.0	-57.13	393.61	8.77	-48.36
CCOC1=CC=CC(F)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090008	0	40	0.0	-47.04	339.84	8.19	-38.85
CC1=CC=C(Br)C(F)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090009	0	36	0.0	-52.86	326.57	9.07	-43.79
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=CC=C1[N+](=O)[O-]	REAL300012090010	0	38	0.0	-62.10	319.13	8.91	-53.19
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090011	0	41	0.0	-60.26	337.23	9.38	-50.88
COC1=CC=C(CN2C=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)N=N2)C=C1	REAL300012090012	0	46	0.0	-61.94	392.17	7.54	-54.40
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(F)=C1OC	REAL300012090013	0	41	0.0	-56.04	352.61	7.22	-48.82
COC(=O)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(F)=C1	REAL300012090014	0	39	0.0	-59.26	343.73	8.61	-50.65
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)C1	REAL300012090015	0	43	0.0	-55.61	371.03	8.27	-47.34
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)C1	REAL300012090016	0	47	0.0	-55.36	392.68	11.06	-44.30
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2OCC(F)F)C1	REAL300012090017	0	40	0.0	-50.01	344.88	8.42	-41.59
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Cl)C=N2)C1	REAL300012090018	0	32	0.0	-54.24	296.22	6.56	-47.68
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090019	0	49	0.0	-54.55	396.73	10.79	-43.76
CC1=CC(C#N)=CC(C)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090020	0	40	0.0	-57.92	335.38	9.24	-48.68
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(CCF)N=C2)C1	REAL300012090021	0	36	0.0	-57.87	315.44	6.71	-51.16
CC(C)(C)C1=COC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300012090022	0	41	0.0	-52.22	339.02	5.17	-47.05
CCCC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012090023	0	42	0.0	-51.37	345.83	10.01	-41.36
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300012090024	0	39	0.0	-53.77	366.08	9.20	-44.57
COC1=CC=C(C2=NC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CS2)C=C1	REAL300012090025	0	43	0.0	-52.37	375.70	7.90	-44.47
CC1=C2C=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=NC2=NN1	REAL300012090027	0	38	0.0	-66.22	324.53	6.31	-59.91
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090028	0	41	0.0	-61.04	361.76	4.51	-56.53
CN1N=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C2=CC=CC=C21	REAL300012090029	0	39	0.0	-52.02	331.80	7.73	-44.29
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C3C=CC=CC3=NN2)C1	REAL300012090030	0	36	0.0	-61.05	311.39	6.50	-54.55
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NNC3=CC=CC=C32)C1	REAL300012090030	1	36	0.0	-53.56	311.58	6.52	-47.04
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090031	0	33	0.0	-57.34	317.03	7.17	-50.17
CCC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012090032	0	36	0.0	-49.84	315.00	8.48	-41.36
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NC=CC3=CC=CC=C32)C1	REAL300012090033	0	38	0.0	-50.81	320.92	8.14	-42.67
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)N2C=CC=CC2=N1	REAL300012090034	0	39	0.0	-57.41	329.67	8.82	-48.59
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090035	1	53	0.0	-52.49	406.28	10.00	-42.49
CCC1=NC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012090036	0	35	0.0	-53.92	312.75	6.60	-47.32
COC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)SC=C1	REAL300012090037	0	34	0.0	-47.21	301.58	6.20	-41.01
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C1	REAL300012090038	0	39	0.0	-58.63	337.60	6.03	-52.60
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC=C2Cl)C1	REAL300012090039	0	30	0.0	-49.29	286.15	7.19	-42.10
CC1=NN2C(=NC(C)=C2C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012090040	0	38	0.0	-54.67	338.86	7.07	-47.60
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012090041	0	44	0.0	-54.09	380.83	8.37	-45.72
CCCC(C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1)C1=CC=CC=C1	REAL300012090042	0	45	0.0	-51.71	358.47	10.41	-41.30
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C1	REAL300012090043	0	38	0.0	-45.04	335.62	8.73	-36.31
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)S2)C1	REAL300012090044	0	33	0.0	-57.22	315.43	8.19	-49.03
CN(C)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C(F)(F)F)=C1	REAL300012090045	0	44	0.0	-55.08	360.69	9.24	-45.84
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090046	0	43	0.0	-53.47	366.81	10.53	-42.94
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090047	0	42	0.0	-55.70	374.73	9.48	-46.22
CC(C)C1CCC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300012090048	0	48	0.0	-52.02	358.32	9.84	-42.18
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300012090049	0	36	0.0	-56.77	341.33	9.13	-47.64
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN3C=CC(Br)=CC3=N2)C1	REAL300012090050	0	36	0.0	-56.20	332.80	9.01	-47.19
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090051	0	44	0.0	-55.57	368.06	9.19	-46.38
COCC1=CC=CC=C1C=C(C)C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090052	0	47	0.0	-56.70	383.59	9.52	-47.18
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090053	0	43	0.0	-51.11	353.80	8.63	-42.48
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CON=C2CC2=CC=CC=C2)C1	REAL300012090054	0	42	0.0	-59.61	355.51	9.46	-50.15
CN1N=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1Cl	REAL300012090055	0	33	0.0	-52.07	303.19	6.03	-46.04
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC=CN=C3O2)C1	REAL300012090056	0	35	0.0	-58.01	304.07	5.27	-52.74
COC1=CC=C(N2C=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=N2)C=C1	REAL300012090057	0	44	0.0	-59.48	369.79	8.31	-51.17
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012090058	0	48	0.0	-51.79	403.21	11.20	-40.59
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C1	REAL300012090059	0	35	0.0	-59.98	323.94	5.87	-54.11
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300012090060	0	40	0.0	-55.09	333.68	10.02	-45.07
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=NC=C2Br)C1	REAL300012090061	0	32	0.0	-52.23	295.32	6.71	-45.52
CS(=O)(=O)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012090062	0	36	0.0	-61.50	334.92	4.50	-57.00
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=NN2C2=CC=CC=N2)C1	REAL300012090063	0	39	0.0	-51.15	336.74	8.59	-42.56
NS(=O)(=O)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(F)=C1	REAL300012090064	0	38	0.0	-62.20	343.25	2.91	-59.29
CC(C)(C)N1N=NC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300012090065	1	40	0.0	-52.28	336.44	5.65	-46.63
CC(C)N1C=CN=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090066	0	39	0.0	-51.18	322.33	7.62	-43.56
CC1=C(Br)C=NC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090067	0	35	0.0	-56.50	313.75	7.18	-49.32
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090068	0	36	0.0	-55.79	322.16	6.49	-49.30
CN1N=CC(C2CC2)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090069	0	40	0.0	-55.87	335.21	7.53	-48.34
CN1N=CC(C2CCC2)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090070	0	43	0.0	-56.32	351.18	8.01	-48.31
CC1=C2C=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)NC2=CC=C1	REAL300012090071	0	40	0.0	-56.43	337.32	8.48	-47.95
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=NN2C2=CC=NC=C2)C1	REAL300012090072	0	39	0.0	-56.54	335.82	7.04	-49.50
CC1=CC=C2C=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)NC2=C1	REAL300012090073	0	40	0.0	-55.39	334.67	8.39	-47.00
CCOC1=CN=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090074	0	39	0.0	-55.68	327.70	6.20	-49.48
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=NC=C2Cl)C1	REAL300012090075	0	32	0.0	-51.03	288.59	6.50	-44.53
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=NN2C2CCOCC2)C1	REAL300012090076	0	44	0.0	-59.23	360.16	6.52	-52.71
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC3=NNC=C32)C1	REAL300012090077	0	36	0.0	-61.00	310.62	6.60	-54.40
CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090078	0	41	0.0	-54.42	324.01	8.28	-46.14
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C3C=CNC3=C2)C1	REAL300012090079	0	37	0.0	-54.23	312.84	7.82	-46.41
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=C(C=CNC3=O)O2)C1	REAL300012090080	0	36	0.0	-62.69	317.12	5.38	-57.31
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C(F)F)N=C2)C1	REAL300012090081	0	35	0.0	-60.59	312.58	7.00	-53.59
CN(C)C1=CC=C(C#N)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090082	0	42	0.0	-55.52	356.34	8.33	-47.19
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(CC3CCOC3)N=N2)C1	REAL300012090083	0	43	0.0	-59.59	355.56	5.18	-54.41
COC1=CN=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1C	REAL300012090084	0	39	0.0	-54.75	320.77	5.90	-48.85
CC1=CC(C)=C(C=CC[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=C1	REAL300012090085	0	46	0.0	-54.73	371.54	10.93	-43.80
CC(C)(C)OC(=O)NC(C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1)CC(F)F	REAL300012090086	0	49	0.0	-60.20	391.65	6.63	-53.57
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(CC3CCCO3)N=N2)C1	REAL300012090087	0	43	0.0	-58.74	359.48	5.48	-53.26
CCCN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)N=N1	REAL300012090088	0	38	0.0	-57.90	324.29	6.00	-51.90
CN(C)C1=CC=C(F)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090089	0	41	0.0	-50.31	342.12	7.97	-42.34
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(C3CC3)C=N2)C1	REAL300012090090	0	37	0.0	-51.71	315.87	8.55	-43.16
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C1	REAL300012090091	0	38	0.0	-64.17	331.92	8.34	-55.83
CC1=CC(C)=C(C=CC[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1C	REAL300012090092	0	46	0.0	-55.59	371.48	10.90	-44.69
NS(=O)(=O)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012090093	0	38	0.0	-64.79	338.67	2.85	-61.94
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3CC3)O2)C1	REAL300012090094	0	36	0.0	-54.15	310.19	5.09	-49.06
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NC=CC3=C2CCCC3)C1	REAL300012090095	0	42	0.0	-49.60	336.75	8.43	-41.17
CC1=NN(C)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1Cl	REAL300012090096	0	36	0.0	-53.51	320.54	6.44	-47.07
CN1C=CC(C2=NC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CS2)=N1	REAL300012090097	0	39	0.0	-55.66	351.07	6.26	-49.40
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2CCCC2)=N1	REAL300012090098	0	46	0.0	-55.87	372.92	8.79	-47.08
CC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1Br	REAL300012090099	0	36	0.0	-47.98	315.89	8.90	-39.08
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C1	REAL300012090100	0	44	0.0	-55.21	378.31	10.79	-44.42
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C3OCCCC3=C2)C1	REAL300012090101	0	41	0.0	-55.14	338.21	8.53	-46.61
CN(C)C(=O)C1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090102	0	43	0.0	-58.96	353.01	7.62	-51.34
CCC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(Cl)=NN1	REAL300012090103	0	36	0.0	-51.51	317.77	6.10	-45.41
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(C3CC3)NN=C2Cl)C1	REAL300012090104	0	37	0.0	-53.14	331.73	6.87	-46.27
CCC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=NO1	REAL300012090105	0	38	0.0	-55.80	320.20	7.36	-48.44
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C2CCCCC2=N1	REAL300012090106	0	45	0.0	-55.16	354.01	8.97	-46.19
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2N2CCCCC2)C1	REAL300012090107	0	48	0.0	-47.58	375.38	9.82	-37.76
CCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)O1	REAL300012090108	0	37	0.0	-53.14	317.03	7.30	-45.84
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC(C(F)(F)F)=N2)C1	REAL300012090109	0	32	0.0	-55.05	307.06	5.89	-49.16
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CN=C1F	REAL300012090110	0	35	0.0	-61.65	306.14	6.67	-54.98
CC1=CC(F)=NC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090111	0	35	0.0	-58.06	298.36	6.59	-51.47
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C(F)F)C(F)=C2)C1	REAL300012090112	0	36	0.0	-58.59	320.67	8.76	-49.83
COC(=O)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1C	REAL300012090113	0	42	0.0	-59.75	352.25	8.98	-50.77
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=C1	REAL300012090114	0	40	0.0	-52.49	325.72	7.71	-44.78
CC1=C(Cl)C=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1Cl	REAL300012090115	0	36	0.0	-51.32	326.92	9.25	-42.07
N#CC1=CC=C(Br)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090116	0	34	0.0	-54.32	318.10	8.78	-45.54
CC1CC2=CC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CC=C2O1	REAL300012090117	0	41	0.0	-56.31	341.54	8.51	-47.80
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C3OC(=O)NC3=CC=C2)C1	REAL300012090118	0	36	0.0	-59.22	316.32	5.40	-53.82
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC3=C2OCC3)C1	REAL300012090119	0	38	0.0	-49.63	317.23	7.58	-42.05
CSCC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012090120	0	40	0.0	-54.76	350.62	9.79	-44.97
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(CC3CCC3)N=C2)C1	REAL300012090121	0	43	0.0	-55.31	353.71	8.55	-46.76
CN1N=C2CCOCC2=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090122	0	41	0.0	-58.52	338.99	5.47	-53.05
CN1N=C2CCCC2=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090123	0	40	0.0	-56.98	331.28	7.36	-49.62
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=NN2C2CCC2)C1	REAL300012090124	0	40	0.0	-56.38	333.28	7.67	-48.71
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(C3CCC3)N=C2)C1	REAL300012090125	0	40	0.0	-54.70	329.60	7.59	-47.11
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090126	0	46	0.0	-51.28	383.82	9.34	-41.94
COC(=O)COC1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090127	0	43	0.0	-52.32	369.06	8.85	-43.47
COC1=CC=C(C)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090128	0	40	0.0	-51.33	326.34	7.63	-43.70
CN1C=NC2=CC=CC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=C21	REAL300012090129	0	39	0.0	-56.52	319.00	8.96	-47.56
CCC1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090130	0	39	0.0	-50.18	318.03	9.19	-40.99
CN(C)C(=O)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012090131	0	43	0.0	-63.15	356.39	7.76	-55.39
CC1=CC(F)=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090132	0	36	0.0	-55.65	312.35	8.63	-47.02
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=C1C	REAL300012090133	0	42	0.0	-49.58	331.03	9.52	-40.06
CCNC(=O)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012090134	0	43	0.0	-63.32	362.45	7.02	-56.30
CC(C)(C)C1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090135	0	45	0.0	-44.95	335.87	10.09	-34.86
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C3CCCCCN23)C1	REAL300012090136	0	43	0.0	-55.04	337.48	8.19	-46.85
COC1=CC=C2SC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CC2=C1	REAL300012090137	0	40	0.0	-55.23	351.44	8.72	-46.51
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CON=C2C2CC2)C1	REAL300012090138	0	36	0.0	-58.03	311.20	7.45	-50.58
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012090139	0	49	0.0	-62.58	397.23	9.65	-52.93
CCN1CCC2=CC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CC=C21	REAL300012090140	0	45	0.0	-52.64	359.97	8.38	-44.26
CCN(C)C(=O)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012090141	0	46	0.0	-63.32	375.38	8.66	-54.66
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=NN1C(C)C	REAL300012090142	0	42	0.0	-53.66	344.35	7.56	-46.10
CSC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1Cl	REAL300012090143	0	37	0.0	-58.10	339.72	9.37	-48.73
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1C1CC1	REAL300012090144	0	43	0.0	-51.54	347.89	10.43	-41.11
CCOC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=N1	REAL300012090145	0	39	0.0	-57.45	332.02	5.48	-51.97
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1C1CC1	REAL300012090146	0	43	0.0	-52.32	351.52	10.52	-41.80
CC1=NN(C2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C(C)=C2)C=C1	REAL300012090147	0	46	0.0	-59.75	380.17	10.22	-49.53
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300012090148	0	39	0.0	-57.48	352.60	9.67	-47.81
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090149	0	43	0.0	-59.03	375.36	10.14	-48.89
CCC1=CC(Br)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012090150	0	36	0.0	-47.44	334.44	9.01	-38.43
CC1=NN(C2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=C2)C=C1Cl	REAL300012090151	0	43	0.0	-59.87	378.43	10.09	-49.78
COC(=O)C1=CC2=C(C=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)O2)N1	REAL300012090152	0	40	0.0	-60.46	350.43	6.61	-53.85
COCCOC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)O1	REAL300012090153	0	41	0.0	-55.37	350.68	6.54	-48.83
CC(C)(C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1)C1=CC=C(Br)C=C1	REAL300012090154	0	42	0.0	-56.06	353.86	10.22	-45.84
CC1=NN(C(C)C)C(C)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090155	0	45	0.0	-53.27	363.88	8.07	-45.20
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NN(CCF)C=C2)C1	REAL300012090156	0	36	0.0	-53.40	315.50	6.61	-46.79
CCN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=N1	REAL300012090157	0	39	0.0	-55.53	328.54	7.15	-48.38
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=CC(Br)=C2)C1	REAL300012090158	0	33	0.0	-55.73	319.56	8.93	-46.80
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=C1	REAL300012090159	0	49	0.0	-47.47	391.99	12.29	-35.18
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2CC2)=N1	REAL300012090160	0	40	0.0	-55.10	336.30	7.77	-47.33
COC1=CC=CC(C2=CSC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=N2)=C1	REAL300012090161	0	43	0.0	-54.30	374.11	7.86	-46.44
COC(=O)C1=C2COCCN2C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090162	0	45	0.0	-62.50	376.59	7.21	-55.29
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)C1	REAL300012090163	0	50	0.0	-64.26	400.05	9.84	-54.42
CN1N=C(C2CC2)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090164	0	40	0.0	-57.65	336.88	7.54	-50.11
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090165	0	43	0.0	-58.74	352.18	10.78	-47.96
CC(C)C1=NOC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090166	0	38	0.0	-57.20	319.74	7.10	-50.10
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)C1	REAL300012090167	0	37	0.0	-52.24	340.75	6.80	-45.44
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=C(C3CCOCC3)O2)C1	REAL300012090168	0	43	0.0	-55.91	353.70	4.24	-51.67
COC1=NC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1F	REAL300012090169	0	36	0.0	-56.75	317.24	4.64	-52.11
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Cl)C=CC=C2Br)C1	REAL300012090170	0	33	0.0	-44.57	313.56	8.68	-35.89
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C(Br)=C2F)C1	REAL300012090171	0	33	0.0	-58.07	316.38	8.57	-49.50
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN3C=CN=C3S2)C1	REAL300012090172	0	33	0.0	-61.42	298.86	7.74	-53.68
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C(C(C)(C)C)O1	REAL300012090173	0	45	0.0	-51.03	365.38	9.35	-41.68
CC1=C(C)SC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300012090174	0	35	0.0	-50.22	308.32	6.29	-43.93
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)C1	REAL300012090175	0	42	0.0	-58.12	359.60	8.13	-49.99
CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300012090176	0	53	0.0	-62.83	408.21	8.91	-53.92
CC1=CC(Br)=CN=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090177	0	35	0.0	-51.94	314.83	7.09	-44.85
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)C1	REAL300012090178	0	39	0.0	-60.88	358.43	5.81	-55.07
CC1OC2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=C2C1C	REAL300012090179	0	44	0.0	-55.40	354.90	8.91	-46.49
CC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OC(F)F	REAL300012090180	0	40	0.0	-53.96	343.82	8.23	-45.73
CC(C)CC1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090181	0	45	0.0	-49.50	353.87	10.32	-39.18
CN1N=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1S(C)(=O)=O	REAL300012090182	0	39	0.0	-61.06	337.04	3.24	-57.82
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)NN=C1C(F)(F)F	REAL300012090183	0	36	0.0	-61.40	322.21	5.84	-55.56
CC(C)CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)N=N1	REAL300012090184	0	41	0.0	-57.64	344.02	6.74	-50.90
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NC(C3CC3)=CS2)C1	REAL300012090185	0	36	0.0	-51.51	320.33	7.13	-44.38
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(C(F)(F)F)=NN2)C1	REAL300012090186	0	33	0.0	-62.42	305.82	5.24	-57.18
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C3CCOC3=C2)C1	REAL300012090187	0	38	0.0	-55.08	320.41	7.72	-47.36
CN1C=C(Cl)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300012090188	0	33	0.0	-48.88	300.91	6.01	-42.87
CS(=O)(=O)C1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=CS1	REAL300012090189	0	36	0.0	-56.66	321.47	4.66	-52.00
CSC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090190	0	37	0.0	-52.64	321.63	8.81	-43.83
CC(C)C1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)N(C)N=C1	REAL300012090191	0	42	0.0	-56.01	346.66	7.38	-48.63
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC(C)=N1	REAL300012090192	0	38	0.0	-57.28	322.61	7.34	-49.94
CC1=C(Br)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C(C)S1	REAL300012090193	0	36	0.0	-47.00	331.50	8.79	-38.21
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2=CC=CC(F)=C2)=N1	REAL300012090194	0	43	0.0	-53.02	367.07	9.01	-44.01
CCCN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=N1	REAL300012090195	0	42	0.0	-55.48	350.00	7.92	-47.56
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=NC=CC=C3O2)C1	REAL300012090196	0	35	0.0	-58.42	307.13	6.63	-51.79
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(CC3CC3)S2)C1	REAL300012090197	0	40	0.0	-50.04	346.61	10.04	-40.00
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OC3CC3)C=C2)C1	REAL300012090198	0	41	0.0	-54.70	341.95	8.76	-45.94
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300012090199	0	37	0.0	-54.30	334.96	7.74	-46.56
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300012090200	0	39	0.0	-56.95	355.76	9.77	-47.18
CC1=NC=CN1C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=C1	REAL300012090201	0	46	0.0	-60.67	377.04	10.89	-49.78
CC1=C(C)N(C2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=C2)C=N1	REAL300012090202	0	46	0.0	-62.70	385.40	11.63	-51.07
CNC(=O)C1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090203	0	40	0.0	-59.42	339.56	6.11	-53.31
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C1	REAL300012090204	0	47	0.0	-51.99	376.43	11.83	-40.16
CCNC(=O)C1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090206	0	43	0.0	-58.62	359.37	6.91	-51.71
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)OC2=CC=C(F)C=C12	REAL300012090207	0	39	0.0	-56.20	339.24	9.13	-47.07
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(C3CCC3)=NN2)C1	REAL300012090208	0	40	0.0	-57.48	331.68	6.78	-50.70
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090209	0	43	0.0	-58.65	361.95	8.93	-49.72
CCCN1C=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300012090210	0	39	0.0	-50.82	327.75	7.14	-43.68
CC(C)N1C=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300012090211	0	39	0.0	-51.38	327.60	6.99	-44.39
CC(C)(C)C1=CN=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090212	0	44	0.0	-54.79	352.92	8.31	-46.48
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NN(CC(F)(F)F)C=C2)C1	REAL300012090213	0	36	0.0	-55.04	323.80	6.87	-48.17
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)C1	REAL300012090214	0	43	0.0	-50.45	353.74	9.80	-40.65
CN1C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=NC2=C1CCCC2	REAL300012090215	0	43	0.0	-52.40	343.74	8.45	-43.95
COC1=NC(Cl)=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090216	0	36	0.0	-54.79	324.08	4.98	-49.81
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C(F)(F)F)=N1	REAL300012090217	0	36	0.0	-55.23	321.03	6.67	-48.56
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(C(F)F)=C2F)C1	REAL300012090218	0	36	0.0	-53.94	317.23	8.65	-45.29
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC3=C2COCC3)C1	REAL300012090219	0	41	0.0	-52.90	328.25	7.80	-45.10
CCOC1=CC=C(Cl)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090220	0	40	0.0	-49.84	351.22	8.69	-41.15
COC1=NN(C)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090221	0	37	0.0	-54.15	317.12	3.53	-50.62
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NC3=C(COCC3)S2)C1	REAL300012090222	0	37	0.0	-52.25	320.95	5.15	-47.10
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C1	REAL300012090223	0	40	0.0	-55.73	347.30	7.82	-47.91
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=C(CCCC3)O2)C1	REAL300012090224	0	40	0.0	-50.90	325.70	8.60	-42.30
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C1	REAL300012090225	0	35	0.0	-65.01	316.50	8.55	-56.46
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(C3CCCCC3)N=C2)C1	REAL300012090226	0	46	0.0	-55.34	369.16	8.94	-46.40
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)C1	REAL300012090227	0	40	0.0	-54.16	358.36	9.38	-44.78
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(F)C=C(Br)C=C2F)C1	REAL300012090228	0	33	0.0	-49.34	313.76	8.48	-40.86
CN(CCO)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300012090229	0	44	0.0	-57.66	364.05	5.46	-52.20
COC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=CC=C1C(C)(C)C	REAL300012090230	0	49	0.0	-48.62	377.16	9.65	-38.97
CN1C=C(Br)N=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090231	0	33	0.0	-57.51	306.78	6.76	-50.75
COC1=CC(C)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300012090232	0	39	0.0	-55.87	325.36	5.16	-50.71
COC1=CC(C)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1O	REAL300012090233	0	41	0.0	-56.23	340.12	5.57	-50.66
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C1	REAL300012090234	0	39	0.0	-56.84	338.24	6.92	-49.92
CN1C(=O)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC2=CC=CC=C21	REAL300012090235	0	42	0.0	-53.57	347.90	8.56	-45.01
COC1=NC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1C	REAL300012090236	0	39	0.0	-53.64	331.80	5.27	-48.37
CCCN1C=NC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090237	0	39	0.0	-53.42	322.77	8.78	-44.64
CC1=CC(C)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=C1Br	REAL300012090238	0	42	0.0	-52.14	353.97	10.03	-42.11
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC=CC2=CC=C3OCOC3=C2)C1	REAL300012090239	0	40	0.0	-61.74	341.66	7.83	-53.91
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(CC3CCC3)C=C2)C1	REAL300012090240	0	46	0.0	-52.22	375.55	11.41	-40.81
CCC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=NN1CC	REAL300012090241	0	42	0.0	-52.53	343.92	7.81	-44.72
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(F)C=CC(Cl)=C2F)C1	REAL300012090242	0	33	0.0	-49.54	308.22	8.33	-41.21
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090243	0	50	0.0	-58.61	403.25	8.04	-50.57
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(C3CC3)=NN2)C1	REAL300012090244	0	37	0.0	-57.88	316.18	6.35	-51.53
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=NN2C2CC2(F)F)C1	REAL300012090245	0	37	0.0	-62.02	325.13	7.33	-54.69
COC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=CS1	REAL300012090246	0	34	0.0	-48.46	302.95	6.21	-42.25
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C(F)(F)F)=CO1	REAL300012090247	0	36	0.0	-50.43	322.42	7.62	-42.81
CC(F)(F)C1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090248	0	39	0.0	-55.96	334.62	9.31	-46.65
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300012090249	0	39	0.0	-57.27	344.81	8.59	-48.68
CN1C=C(C2=NNC=C2C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300012090250	0	40	0.0	-54.72	341.84	5.49	-49.23
CCCN1N=C(C)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1Cl	REAL300012090251	0	42	0.0	-51.94	365.97	8.17	-43.77
CC(C)(C#N)C1=NC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)S1	REAL300012090252	0	39	0.0	-59.14	347.59	7.20	-51.94
N#CC1=CC(F)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(Br)=C1	REAL300012090253	0	34	0.0	-52.48	326.03	8.70	-43.78
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(F)=CC(F)=C2F)C1	REAL300012090254	0	33	0.0	-55.87	301.77	8.08	-47.79
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C1	REAL300012090255	0	40	0.0	-55.05	350.13	10.34	-44.71
CC(C)(C)C1=NNC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090256	0	42	0.0	-57.19	346.53	6.74	-50.45
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C1	REAL300012090257	0	39	0.0	-55.13	342.22	10.54	-44.59
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2OC2CCCCC2)C1	REAL300012090258	0	50	0.0	-48.34	392.68	10.69	-37.65
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300012090259	0	44	0.0	-59.80	389.99	11.28	-48.52
C=CCC1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090260	0	40	0.0	-50.94	331.60	9.77	-41.17
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2COC2CCCCC2)C1	REAL300012090261	0	53	0.0	-51.59	411.60	11.28	-40.31
COC1=CC=CC(OC2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=C2)=C1	REAL300012090262	0	48	0.0	-59.97	402.75	10.06	-49.91
CCN1CCCC2=CC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=CC=C21	REAL300012090263	0	48	0.0	-53.04	373.78	9.04	-44.00
COCC1=CN=C(OC)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090264	0	43	0.0	-52.75	364.47	4.41	-48.34
CN1N=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1Br	REAL300012090265	0	33	0.0	-51.05	304.13	6.00	-45.05
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012090266	0	48	0.0	-59.49	399.41	10.53	-48.96
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN=NN2C2CC2)C1	REAL300012090267	0	36	0.0	-60.71	308.01	5.82	-54.89
COCC1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090268	0	40	0.0	-52.09	327.80	7.63	-44.46
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)C1	REAL300012090269	0	46	0.0	-55.70	390.73	12.51	-43.19
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C1	REAL300012090270	0	37	0.0	-56.20	337.81	9.25	-46.95
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)C1	REAL300012090271	0	46	0.0	-56.95	377.76	8.57	-48.38
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C3CCOCC3=C2)C1	REAL300012090272	0	41	0.0	-54.24	335.24	7.90	-46.34
O=C([O-])[C@@]1(C(F)(F)F)C[C@H]([NH2+]CC2=CN(CCO)N=C2)C1	REAL300012090273	0	37	0.0	-56.74	317.17	3.11	-53.63
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)SC2=CC(F)=CC=C12	REAL300012090274	0	39	0.0	-53.42	341.99	9.93	-43.49
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C1	REAL300012090275	0	39	0.0	-62.93	339.12	6.06	-56.87
COC1=CC=C(F)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1OC	REAL300012090276	0	41	0.0	-47.52	346.83	7.10	-40.42
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC=CC2=CC=NC=C2)C1	REAL300012090277	0	36	0.0	-59.88	310.56	7.44	-52.44
CN1C=CC(C2=NNC=C2C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300012090278	0	40	0.0	-51.62	341.72	5.85	-45.77
CC1=CC=C(F)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1Br	REAL300012090279	0	36	0.0	-45.64	323.47	8.89	-36.75
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2OCCC2CCCCC2)C1	REAL300012090280	0	56	0.0	-48.08	433.60	12.08	-36.00
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(OCC3CCC3)=C2)C1	REAL300012090281	0	47	0.0	-53.55	384.04	10.24	-43.31
CC(F)(F)C1=CC=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090282	0	39	0.0	-53.41	325.02	9.41	-44.00
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC=C1OCCO	REAL300012090283	0	45	0.0	-61.04	376.47	4.94	-56.10
CCN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2CC2)=N1	REAL300012090284	0	43	0.0	-54.84	357.87	8.64	-46.20
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1OCCO	REAL300012090285	0	45	0.0	-60.52	373.86	4.85	-55.67
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2=CC=NN2C)=N1	REAL300012090286	0	43	0.0	-56.33	366.09	6.73	-49.60
CC(C)(C)C1=NOC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090287	0	41	0.0	-59.89	329.11	7.55	-52.34
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CN=CC=C3C=C2)C1	REAL300012090288	0	38	0.0	-58.67	322.41	8.26	-50.41
CC1=CC2=CC=CC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=C2O1	REAL300012090289	0	39	0.0	-51.33	333.79	9.04	-42.29
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C1	REAL300012090290	0	36	0.0	-60.49	315.28	8.88	-51.61
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)C1	REAL300012090291	0	40	0.0	-51.01	359.41	8.66	-42.35
COC1=CSC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1OC	REAL300012090292	0	38	0.0	-51.11	337.26	5.93	-45.18
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CON=C2C2CCC2)C1	REAL300012090293	0	39	0.0	-57.33	326.12	7.87	-49.46
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Br)C=CC3=C2OCO3)C1	REAL300012090294	0	36	0.0	-46.78	325.58	6.93	-39.85
CS(=O)(=O)C1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)SC=C1	REAL300012090295	0	36	0.0	-54.57	323.19	4.42	-50.15
CS(=O)(=O)C1=COC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090296	0	36	0.0	-61.04	325.27	3.38	-57.66
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C1	REAL300012090297	0	36	0.0	-56.15	327.71	8.96	-47.19
CC(C)OC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1F	REAL300012090298	0	43	0.0	-58.38	356.97	8.73	-49.65
CCN1C=C(Cl)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300012090299	0	36	0.0	-49.52	325.46	6.95	-42.57
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C(Cl)=C2F)C1	REAL300012090300	0	33	0.0	-58.02	312.19	8.47	-49.55
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(C(F)F)=C2)C1	REAL300012090301	0	36	0.0	-55.06	316.66	8.75	-46.31
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C1	REAL300012090302	0	39	0.0	-52.18	335.09	10.16	-42.02
CS(=O)(=O)C1=CSC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090303	0	36	0.0	-61.82	333.65	4.39	-57.43
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CSC(Cl)=C2)C1	REAL300012090304	0	30	0.0	-54.37	288.44	7.35	-47.02
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=NN1C1CCC1	REAL300012090305	0	43	0.0	-55.22	351.47	8.42	-46.80
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)C1	REAL300012090306	0	40	0.0	-58.06	360.11	9.61	-48.45
CC1=NN(C2CCCC2)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090307	0	46	0.0	-56.61	372.65	8.97	-47.64
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=NN2CC(F)F)C1	REAL300012090308	0	36	0.0	-60.92	315.46	6.69	-54.23
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090309	0	43	0.0	-56.14	362.59	8.54	-47.60
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)C1	REAL300012090310	0	36	0.0	-60.42	326.03	9.35	-51.07
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(F)C=CN=C2Cl)C1	REAL300012090311	0	32	0.0	-49.01	295.94	6.39	-42.62
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C1	REAL300012090312	0	40	0.0	-58.57	349.79	9.16	-49.41
CN(C)C1=CN=CC(F)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090313	0	40	0.0	-49.31	338.32	5.99	-43.32
COC1=NC(C)=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=C1Cl	REAL300012090314	0	42	0.0	-56.61	355.67	6.01	-50.60
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090315	0	42	0.0	-54.60	357.54	8.15	-46.45
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NN(C3CCC3)C=C2)C1	REAL300012090316	0	40	0.0	-49.80	329.67	7.47	-42.33
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NN(CC(F)F)C=C2)C1	REAL300012090317	0	36	0.0	-54.09	320.49	6.70	-47.39
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NN(C3CC3(F)F)C=C2)C1	REAL300012090318	0	37	0.0	-53.99	327.41	7.20	-46.79
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090319	0	49	0.0	-54.57	388.80	9.53	-45.04
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CN(C3CCOCC3)N=C2)C1	REAL300012090320	0	44	0.0	-56.47	359.93	6.55	-49.92
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090321	0	47	0.0	-55.28	378.26	7.11	-48.17
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NN(C3CCCC3)C=C2)C1	REAL300012090322	0	43	0.0	-51.04	350.35	8.25	-42.79
NS(=O)(=O)C1=CSC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090323	0	35	0.0	-62.76	330.33	1.91	-60.85
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=NC=C(Cl)C=C2Cl)C1	REAL300012090324	0	32	0.0	-48.73	310.36	6.97	-41.76
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300012090325	0	48	0.0	-65.17	388.03	7.31	-57.86
CC1=NN(C2CCCC2)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090326	0	46	0.0	-54.65	369.88	8.92	-45.73
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2C(F)F)C1	REAL300012090327	0	36	0.0	-55.13	304.48	8.73	-46.40
CC1=CC(Br)=C(F)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090328	0	36	0.0	-53.56	331.13	9.19	-44.37
COC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1Br	REAL300012090329	0	37	0.0	-50.28	326.43	7.69	-42.59
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=CNN=C3C=C2)C1	REAL300012090330	0	36	0.0	-61.34	310.76	6.60	-54.74
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(Cl)C(F)=C2F)C1	REAL300012090331	0	33	0.0	-58.21	312.55	8.48	-49.73
CC1=C(F)C=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090332	0	36	0.0	-53.58	301.52	8.44	-45.14
CN1C=C(C2=CC=CC(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)=C2)C=N1	REAL300012090333	0	43	0.0	-57.70	364.62	9.18	-48.52
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)C1	REAL300012090334	0	43	0.0	-71.68	371.07	10.30	-61.38
CC1=CC=C(Br)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090335	0	36	0.0	-52.93	320.65	9.11	-43.82
COC1=C(C#N)C=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090336	0	38	0.0	-59.23	333.93	7.75	-51.48
COC1=NC2=CC=C(C[NH2+][C@H]3C[C@@](C(=O)[O-])(C(F)(F)F)C3)C=C2S1	REAL300012090337	0	39	0.0	-60.52	348.91	5.72	-54.80
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=NC(Br)=C2)C1	REAL300012090338	0	32	0.0	-60.41	300.84	6.63	-53.78
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(F)=CC(Cl)=C2Cl)C1	REAL300012090339	0	33	0.0	-52.53	315.69	8.76	-43.77
CC1=NC(Cl)=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090340	0	35	0.0	-59.09	311.89	7.07	-52.02
CC(C)(C)COC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090341	0	49	0.0	-53.10	396.30	10.24	-42.86
COC1=CC(Cl)=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090342	0	37	0.0	-55.39	330.73	7.71	-47.68
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2Cl)C1	REAL300012090343	0	36	0.0	-58.83	332.92	9.14	-49.69
COC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CC(F)=C1F	REAL300012090344	0	37	0.0	-64.57	326.58	7.32	-57.25
COC1=CC(C)=NC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090345	0	39	0.0	-50.99	326.67	5.98	-45.01
CC(C)N1C=NC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090346	0	39	0.0	-49.57	324.91	8.35	-41.22
CN1N=CC=C1C1=NNC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090347	0	40	0.0	-57.33	345.36	5.49	-51.84
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2CC2)=NO1	REAL300012090348	0	39	0.0	-56.62	331.27	8.21	-48.41
COC(=O)C1=C(C)NC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1C	REAL300012090349	0	43	0.0	-60.27	364.12	7.53	-52.74
CC(C)OC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)O1	REAL300012090350	0	40	0.0	-54.33	340.42	8.12	-46.21
CC1=CC(Br)=CC(C)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090351	0	39	0.0	-53.54	339.81	9.53	-44.01
O=C([O-])[C@@]1(C(F)(F)F)C[C@H]([NH2+]CC2=C(O)C=CC(F)=C2Br)C1	REAL300012090352	0	34	0.0	-48.90	314.88	5.52	-43.38
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Cl)C=CC3=C2OCO3)C1	REAL300012090353	0	36	0.0	-48.22	324.59	6.96	-41.26
N#CC1=CC(F)=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090354	0	34	0.0	-64.05	311.77	8.34	-55.71
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300012090355	0	49	0.0	-52.31	386.36	11.70	-40.61
COC1=CC=CC=C1C=CC[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090356	0	41	0.0	-55.67	343.91	8.55	-47.12
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)SC(Br)=C1	REAL300012090357	0	33	0.0	-52.94	314.80	8.28	-44.66
CC1=NN(C2CCC2)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090358	0	43	0.0	-55.08	353.07	8.20	-46.88
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=NN1CC(F)F	REAL300012090359	0	39	0.0	-55.36	335.99	7.21	-48.15
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C1	REAL300012090360	0	41	0.0	-60.12	353.74	8.25	-51.87
CCCN1N=C(C)C(Cl)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090361	0	42	0.0	-51.06	359.12	8.11	-42.95
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090362	0	45	0.0	-55.34	379.62	9.89	-45.45
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090363	0	40	0.0	-60.91	347.89	7.18	-53.73
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C1	REAL300012090364	0	46	0.0	-54.03	387.35	12.36	-41.67
CCCCC(=O)NC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012090365	0	49	0.0	-57.44	400.87	9.07	-48.37
COC1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=N1	REAL300012090366	0	39	0.0	-57.10	327.18	5.13	-51.97
CCN(C)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C)=C1	REAL300012090367	0	47	0.0	-49.85	370.09	9.69	-40.16
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Cl)=CN=C2Br)C1	REAL300012090368	0	32	0.0	-52.36	311.81	7.09	-45.27
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C(Cl)C(Cl)=CS2)C1	REAL300012090369	0	30	0.0	-50.51	303.34	7.83	-42.68
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090370	0	54	0.0	-50.77	410.98	9.93	-40.84
COC1=CC(C)=CC(OC)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090371	0	44	0.0	-45.50	360.79	7.21	-38.29
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(CF)C=C2)C1	REAL300012090372	0	36	0.0	-54.35	309.51	8.63	-45.72
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C1	REAL300012090373	0	37	0.0	-59.73	346.53	8.24	-51.49
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C1	REAL300012090374	0	43	0.0	-59.48	373.13	10.73	-48.75
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C3SC=CC3=C2)C1	REAL300012090375	0	36	0.0	-56.67	321.43	9.27	-47.40
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C1	REAL300012090376	0	42	0.0	-57.49	350.82	9.46	-48.03
O=C([O-])[C@@]1(C(F)(F)F)C[C@H]([NH2+]CC2=CC=CC=C2CO)C1	REAL300012090377	0	37	0.0	-54.41	308.68	5.33	-49.08
CC1=NSC(C)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090378	0	35	0.0	-55.09	303.34	6.64	-48.45
CC(C)(C)C1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=NO1	REAL300012090379	0	41	0.0	-52.67	328.08	7.90	-44.77
CC1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1C(F)(F)F	REAL300012090380	0	39	0.0	-55.35	326.65	9.41	-45.94
C=CCN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300012090381	0	37	0.0	-56.71	321.64	7.12	-49.59
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=NNC=C3C=C2)C1	REAL300012090382	0	36	0.0	-57.74	310.81	6.60	-51.14
CCC(C)C1=CC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300012090383	0	45	0.0	-51.26	360.09	10.38	-40.88
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=NC=C(Br)C=C3O2)C1	REAL300012090384	0	35	0.0	-58.91	328.53	7.21	-51.70
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)C1	REAL300012090385	0	38	0.0	-56.13	350.31	8.24	-47.89
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC3=C(CCOC3)N=C2Cl)C1	REAL300012090386	0	40	0.0	-53.10	342.35	6.43	-46.67
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090387	0	46	0.0	-55.45	383.06	10.40	-45.05
CC(F)(F)C1=CC=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300012090388	0	38	0.0	-56.59	333.60	7.83	-48.76
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Br)=CC(F)=C2F)C1	REAL300012090389	0	33	0.0	-55.00	316.65	8.62	-46.38
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC3=C2CCCC3)C1	REAL300012090390	0	43	0.0	-51.38	339.89	10.26	-41.12
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC(Br)=CC([N+](=O)[O-])=C2)C1	REAL300012090391	0	35	0.0	-64.87	334.02	9.19	-55.68
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090392	0	40	0.0	-57.02	342.00	9.69	-47.33
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC(C(F)(F)F)=C2F)C1	REAL300012090393	0	36	0.0	-56.50	325.01	8.82	-47.68
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C1	REAL300012090394	0	39	0.0	-65.34	333.83	7.71	-57.63
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C=CC2=CC=CC=C21	REAL300012090395	0	42	0.0	-52.22	338.46	10.54	-41.68
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090396	0	51	0.0	-54.06	409.67	9.53	-44.53
COC1=C2C=CNC2=CC=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090397	0	41	0.0	-50.01	343.27	7.30	-42.71
CC1=NC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C(C)S1	REAL300012090398	0	35	0.0	-50.00	310.03	6.30	-43.70
O=C([O-])[C@@]1(C(F)(F)F)C[C@H]([NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C1	REAL300012090399	0	46	0.0	-55.01	370.48	4.93	-50.08
COC1=CC=C(OC)C(OC)=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090400	0	45	0.0	-47.51	371.67	6.50	-41.01
CCCN1N=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1C	REAL300012090401	0	42	0.0	-55.14	347.46	7.77	-47.37
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)C1	REAL300012090402	0	50	0.0	-51.83	392.55	9.66	-42.17
O=C([O-])[C@]1(C(F)(F)F)C[C@@H]([NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2F)C1	REAL300012090403	0	47	0.0	-50.53	397.26	11.37	-39.16
CC1=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C2=NC=CC=C2C=C1	REAL300012090404	0	41	0.0	-46.92	337.16	8.87	-38.05
CC1=CC(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=CN=C1N1C=CC=N1	REAL300012090405	0	42	0.0	-60.81	352.97	9.11	-51.70
COC(=O)C1=CN(C)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300012090406	0	40	0.0	-61.10	346.07	8.05	-53.05
COC1=CC=C(Br)C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)=C1O	REAL300012090407	0	38	0.0	-51.33	341.57	5.58	-45.75
CCCN1N=C(C)C=C1C[NH2+][C@H]1C[C@@](C(=O)[O-])(C(F)(F)F)C1	REAL300012090408	0	42	0.0	-54.77	345.71	7.76	-47.01
CN1C=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)C(C2CCC2)=N1	REAL300012090409	0	43	0.0	-54.80	352.60	8.22	-46.58
CC(C)(C)C1=NC=C(C[NH2+][C@H]2C[C@@](C(=O)[O-])(C(F)(F)F)C2)O1	REAL300012090410	0	41	0.0	-53.63	340.71	5.30	-48.33
CC(C)(C(=O)[O-])C1=CC=CC(NCC2=CC=C(N3CCCC3)[NH+]=C2)=C1	REAL300012090662	1	50	0.0	-61.26	380.85	9.39	-51.87
C[NH+]1CCN(C2=CC=C(CNC3=CC=CC(C(C)(C)C(=O)[O-])=C3)C=C2)CC1	REAL300012090671	0	56	0.0	-73.50	420.52	10.41	-63.09
CC(C)(C(=O)[O-])C1=CC=CC(NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)=C1	REAL300012091156	0	58	0.0	-71.90	440.20	12.30	-59.60
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300012091165	0	59	0.0	-73.49	424.91	13.17	-60.32
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300012091165	1	59	0.0	-73.98	429.59	13.33	-60.65
CC(C)(C(=O)[O-])C1=CC=CC(NCC2=CC=NN2C2=CC=[NH+]C=C2)=C1	REAL300012091202	1	45	0.0	-59.76	361.52	9.45	-50.31
C[NH+](C)CCC1=CC=C(CNC2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=C1	REAL300012091335	0	53	0.0	-74.99	409.25	12.07	-62.92
CN(CCO)C1=CC=C(CNC2=CC=CC(C(C)(C)C(=O)[O-])=C2)C=[NH+]1	REAL300012091359	1	50	0.0	-59.31	388.14	7.40	-51.91
COC1=CC(C)=[NH+]C=C1CNC1=CC=CC(C(C)(C)C(=O)[O-])=C1	REAL300012091479	1	45	0.0	-64.16	356.85	7.96	-56.20
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C)=C1	REAL300012091546	0	46	0.0	-86.44	377.59	9.93	-76.51
CC1=CC=C(C)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091547	0	46	0.0	-86.61	377.64	9.92	-76.69
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CC=CN=C3C=C2)C([N+](=O)[O-])=C1	REAL300012091548	0	45	0.0	-96.53	382.51	9.00	-87.53
O=C([O-])C1=CC=C(NCC[NH2+]CC2CC3C=CC2C3)C([N+](=O)[O-])=C1	REAL300012091549	0	45	0.0	-88.19	358.62	9.17	-79.02
O=C([O-])C1=CC=C(NCC[NH2+]CC2CCCCC2)C([N+](=O)[O-])=C1	REAL300012091550	0	46	0.0	-86.47	362.40	8.96	-77.51
CC(C)(C)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091551	0	52	0.0	-86.88	417.59	10.96	-75.92
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CNN=C2C2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300012091552	0	47	0.0	-89.16	397.28	8.44	-80.72
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(Br)O2)C([N+](=O)[O-])=C1	REAL300012091553	0	37	0.0	-90.75	343.83	7.51	-83.24
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091554	0	50	0.0	-94.30	419.87	10.44	-83.86
CCOC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=C1OC	REAL300012091555	0	51	0.0	-94.64	421.99	8.75	-85.89
CC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1C	REAL300012091556	0	46	0.0	-87.00	373.80	9.73	-77.27
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1C	REAL300012091557	0	46	0.0	-87.04	379.80	9.84	-77.20
CC(C)OC1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091558	0	50	0.0	-81.80	409.26	9.55	-72.25
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)C([N+](=O)[O-])=C1	REAL300012091559	0	50	0.0	-92.05	425.63	10.30	-81.75
CCC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C2=CC=CC=C2O1	REAL300012091560	0	49	0.0	-90.68	406.51	10.59	-80.09
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC=C2OC(F)(F)F)C([N+](=O)[O-])=C1	REAL300012091561	0	44	0.0	-86.44	386.03	8.49	-77.95
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(Cl)=C1	REAL300012091562	0	44	0.0	-86.55	383.57	8.37	-78.18
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C([N+](=O)[O-])=C1	REAL300012091563	0	44	0.0	-93.55	387.38	8.43	-85.12
N#CC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091564	0	41	0.0	-98.17	362.25	9.02	-89.15
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C([N+](=O)[O-])=C1	REAL300012091565	0	47	0.0	-92.89	403.95	8.51	-84.38
CC1=CC=C(C2=NNC=C2C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091566	0	50	0.0	-89.22	418.81	9.12	-80.10
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CNN=C2C2=CC=CS2)C([N+](=O)[O-])=C1	REAL300012091567	0	44	0.0	-88.20	385.08	7.76	-80.44
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CSC3=CC=CC=C23)C([N+](=O)[O-])=C1	REAL300012091568	0	43	0.0	-91.07	378.29	10.01	-81.06
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CC=CC=C3OC2)C([N+](=O)[O-])=C1	REAL300012091569	0	46	0.0	-91.84	387.44	9.12	-82.72
CC1=CC=C(C2=CC=C(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])O2)C=C1	REAL300012091570	0	50	0.0	-89.75	423.04	11.21	-78.54
CC1=CC=C(C2=NNC=C2C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300012091571	0	47	0.0	-88.21	402.52	7.75	-80.46
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CNN=C2C2=CC=CN=C2)C([N+](=O)[O-])=C1	REAL300012091572	0	46	0.0	-93.26	392.19	6.68	-86.58
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(Cl)S2)C([N+](=O)[O-])=C1	REAL300012091573	0	37	0.0	-90.42	348.65	8.36	-82.06
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC3=CC=CN=C32)C([N+](=O)[O-])=C1	REAL300012091574	0	45	0.0	-82.42	381.23	9.15	-73.27
COC1=NC2=CC=CC=C2C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091575	0	49	0.0	-90.48	412.25	7.64	-82.84
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C([N+](=O)[O-])=C1	REAL300012091576	0	47	0.0	-96.69	399.74	9.84	-86.85
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C([N+](=O)[O-])=C1	REAL300012091577	0	46	0.0	-99.75	394.68	11.16	-88.59
CCC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300012091578	0	43	0.0	-87.08	365.54	8.38	-78.70
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(F)=CC=C2F)C([N+](=O)[O-])=C1	REAL300012091579	0	40	0.0	-88.89	350.86	8.71	-80.18
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(F)C=C2Cl)C([N+](=O)[O-])=C1	REAL300012091580	0	40	0.0	-88.79	360.50	9.14	-79.65
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(F)C(Cl)=C2)C([N+](=O)[O-])=C1	REAL300012091581	0	40	0.0	-96.96	363.98	9.19	-87.77
CCOC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091582	0	47	0.0	-88.58	392.74	8.86	-79.72
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1F	REAL300012091583	0	43	0.0	-91.82	368.11	9.34	-82.48
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(Cl)=CC=C2Cl)C([N+](=O)[O-])=C1	REAL300012091584	0	40	0.0	-86.61	368.31	9.56	-77.05
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(F)=C(F)C(F)=C2)C([N+](=O)[O-])=C1	REAL300012091585	0	40	0.0	-103.38	360.39	8.82	-94.56
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CC=CC=C3S2)C([N+](=O)[O-])=C1	REAL300012091586	0	43	0.0	-89.32	378.77	10.18	-79.14
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(Cl)C(F)=C2)C([N+](=O)[O-])=C1	REAL300012091587	0	40	0.0	-97.01	363.98	9.20	-87.81
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CN=C2Cl)C([N+](=O)[O-])=C1	REAL300012091588	0	39	0.0	-88.33	348.31	7.27	-81.06
CC(C)C1=NN(C)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091589	0	49	0.0	-91.71	406.60	8.27	-83.44
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091590	0	49	0.0	-88.16	421.49	8.58	-79.58
COCCOC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091591	0	51	0.0	-89.85	426.38	8.13	-81.72
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1Cl	REAL300012091592	0	44	0.0	-93.87	386.92	8.48	-85.39
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C([N+](=O)[O-])=C1	REAL300012091593	0	45	0.0	-88.92	401.65	7.56	-81.36
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091594	0	52	0.0	-93.66	422.77	10.20	-83.46
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC3=C2OCCO3)C([N+](=O)[O-])=C1	REAL300012091595	0	46	0.0	-86.61	384.31	7.84	-78.77
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC3=C2OCCCO3)C([N+](=O)[O-])=C1	REAL300012091596	0	49	0.0	-90.40	401.21	8.65	-81.75
CCCN1C2=CC=CC=C2N=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091597	0	52	0.0	-92.57	427.22	10.71	-81.86
CCCOC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091598	0	50	0.0	-88.44	414.24	9.66	-78.78
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C([N+](=O)[O-])=C1	REAL300012091599	0	47	0.0	-89.59	407.43	11.21	-78.38
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(OC3CCCC3)=C2)C([N+](=O)[O-])=C1	REAL300012091600	0	54	0.0	-88.05	435.92	10.86	-77.19
CC(C)OC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091601	0	50	0.0	-91.02	410.62	9.48	-81.54
CC(C)C1=NC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CS1	REAL300012091602	1	45	0.0	-84.71	389.15	7.67	-77.04
CC(C)(C)C1=NC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CS1	REAL300012091603	1	48	0.0	-84.52	408.09	8.18	-76.34
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC=C2OC2CCCC2)C([N+](=O)[O-])=C1	REAL300012091604	0	54	0.0	-82.46	434.50	10.93	-71.53
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])OC=C1	REAL300012091605	0	40	0.0	-86.85	341.77	7.37	-79.48
CC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CN=C1Cl	REAL300012091606	0	42	0.0	-97.28	371.88	7.86	-89.42
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(F)C3=CC=CN=C23)C([N+](=O)[O-])=C1	REAL300012091607	0	45	0.0	-87.28	386.87	9.19	-78.09
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(F)=CC3=CC=CN=C32)C([N+](=O)[O-])=C1	REAL300012091608	0	45	0.0	-85.18	387.56	9.24	-75.94
COC1=CC=C2OC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=CC2=C1	REAL300012091609	0	47	0.0	-93.28	398.74	8.44	-84.84
O=C([O-])C1=CC=C(NCC[NH2+]CC=CC2=CC=C(Cl)C=C2)C([N+](=O)[O-])=C1	REAL300012091610	0	44	0.0	-92.20	389.16	10.45	-81.75
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C2=CC=CC=C2O1	REAL300012091611	0	46	0.0	-91.59	389.66	9.77	-81.82
O=C([O-])C1=CC=C(NCC[NH2+]CC2=COC3=CC=CC=C23)C([N+](=O)[O-])=C1	REAL300012091612	0	43	0.0	-91.48	369.30	9.01	-82.47
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C([N+](=O)[O-])=C1	REAL300012091613	0	48	0.0	-93.73	408.15	10.37	-83.36
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N=C1	REAL300012091614	0	42	0.0	-85.46	357.81	7.45	-78.01
O=C([O-])C1=CC=C(NCC[NH2+]CC=CC2=CC=C(F)C=C2F)C([N+](=O)[O-])=C1	REAL300012091615	0	44	0.0	-94.44	384.35	10.03	-84.41
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C([N+](=O)[O-])=C1	REAL300012091616	0	47	0.0	-88.36	400.27	9.76	-78.60
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(Cl)SC=C2)C([N+](=O)[O-])=C1	REAL300012091617	0	37	0.0	-83.97	345.55	8.19	-75.78
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(Cl)=CC3=C2OCC3)C([N+](=O)[O-])=C1	REAL300012091618	0	45	0.0	-85.65	393.89	8.99	-76.66
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=C(F)C=CC=C3N2)C([N+](=O)[O-])=C1	REAL300012091619	0	44	0.0	-95.68	379.78	8.65	-87.03
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CC=C(F)C=C3N2)C([N+](=O)[O-])=C1	REAL300012091620	0	44	0.0	-96.47	379.68	8.65	-87.82
CCOC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012091621	0	46	0.0	-88.99	390.44	6.23	-82.76
CC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC2=CC=CN=C12	REAL300012091622	0	48	0.0	-96.05	402.62	9.83	-86.22
CC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=C1Cl	REAL300012091623	0	43	0.0	-92.17	376.86	9.73	-82.44
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=C3C=CSC3=C2)C([N+](=O)[O-])=C1	REAL300012091624	0	42	0.0	-95.62	373.26	8.11	-87.51
CCCC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091625	0	49	0.0	-87.30	405.77	10.84	-76.46
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1C#N	REAL300012091626	0	45	0.0	-102.49	391.10	8.35	-94.14
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(SC(F)F)C=C2)C([N+](=O)[O-])=C1	REAL300012091627	0	44	0.0	-92.15	391.21	9.90	-82.25
CC1=CC(Cl)=CC(C)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091628	0	46	0.0	-91.18	391.28	10.21	-80.97
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C([N+](=O)[O-])=C1	REAL300012091629	0	44	0.0	-96.94	386.87	8.28	-88.66
CCOC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N=C1	REAL300012091630	0	46	0.0	-87.99	387.80	7.01	-80.98
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091631	0	46	0.0	-94.28	395.25	10.28	-84.00
C=CCOC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091632	0	48	0.0	-88.71	405.65	9.44	-79.27
CC1=CC(C)=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1C	REAL300012091633	0	49	0.0	-86.24	394.64	10.45	-75.79
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C([N+](=O)[O-])=C1	REAL300012091634	0	47	0.0	-89.01	409.24	11.41	-77.60
CC(C)(C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C1=CC=CC=C1	REAL300012091635	0	49	0.0	-89.01	389.46	10.34	-78.67
CC1CCC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300012091636	0	49	0.0	-88.13	373.70	9.32	-78.81
CC(CCC1=CC=CC=C1)C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091637	0	52	0.0	-87.62	420.41	11.50	-76.12
CCC1CCCC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C1	REAL300012091638	0	52	0.0	-86.77	401.46	10.22	-76.55
CCC1=CC=CC(Cl)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091639	0	46	0.0	-82.47	391.33	10.26	-72.21
CC1=C(C)C=C2OC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=CC2=C1	REAL300012091640	0	49	0.0	-90.95	407.57	10.36	-80.59
CCCC1CCC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300012091641	0	55	0.0	-87.72	420.46	10.94	-76.78
CC1CCCCC1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091642	0	49	0.0	-86.93	372.81	9.19	-77.74
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C([N+](=O)[O-])=C1	REAL300012091643	0	47	0.0	-98.28	397.34	11.02	-87.26
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C([N+](=O)[O-])=C1	REAL300012091644	0	47	0.0	-90.51	410.03	10.64	-79.87
COC1=CC=C(C)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091645	0	47	0.0	-82.59	390.94	8.66	-73.93
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1F	REAL300012091646	0	44	0.0	-95.91	377.12	8.01	-87.90
O=C([O-])C1=CC=C(NCC[NH2+]CC2CCC(C(F)(F)F)CC2)C([N+](=O)[O-])=C1	REAL300012091647	0	49	0.0	-92.34	390.24	9.61	-82.73
CC(C)C1CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])CCO1	REAL300012091648	0	53	0.0	-90.15	412.50	8.68	-81.47
CC1(C)CCC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300012091649	0	52	0.0	-87.33	396.37	9.84	-77.49
CCSC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091650	0	47	0.0	-88.66	403.07	10.49	-78.17
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(O)C=CC(Cl)=C2F)C([N+](=O)[O-])=C1	REAL300012091651	1	41	0.0	-89.42	372.56	6.37	-83.05
COC1(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])CCCCC1	REAL300012091652	0	50	0.0	-85.85	384.44	8.04	-77.81
CCN1N=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C2=CC=CC=C21	REAL300012091653	0	49	0.0	-89.49	413.15	9.42	-80.07
COCCC1(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])CCCCC1	REAL300012091654	0	56	0.0	-90.00	419.98	8.86	-81.14
CCCOC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091655	0	50	0.0	-90.07	414.25	9.66	-80.41
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CC=CC=C3O2)C([N+](=O)[O-])=C1	REAL300012091656	0	43	0.0	-91.03	369.27	9.16	-81.87
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C([N+](=O)[O-])=C1	REAL300012091657	0	47	0.0	-89.83	401.64	10.52	-79.31
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300012091658	0	45	0.0	-101.37	385.76	9.83	-91.54
CC(C)OC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091659	0	50	0.0	-89.98	410.97	9.50	-80.48
CC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=C1F	REAL300012091660	0	43	0.0	-93.66	368.11	9.33	-84.33
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C3NC=CC3=CC=C2)C([N+](=O)[O-])=C1	REAL300012091661	0	44	0.0	-91.28	370.24	8.61	-82.67
CC(C)CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091662	0	52	0.0	-86.81	422.59	11.31	-75.50
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1[N+](=O)[O-]	REAL300012091663	0	46	0.0	-106.26	396.91	9.37	-96.89
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C([N+](=O)[O-])=C1	REAL300012091664	0	40	0.0	-93.72	374.85	9.64	-84.08
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(F)=CC(Cl)=C2)C([N+](=O)[O-])=C1	REAL300012091665	0	40	0.0	-94.70	364.53	9.21	-85.49
CC1=CC=CC(C)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091666	0	46	0.0	-86.67	374.54	9.71	-76.96
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(Br)=CO2)C([N+](=O)[O-])=C1	REAL300012091667	0	37	0.0	-90.38	343.85	7.41	-82.97
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(OC(F)F)=C2)C([N+](=O)[O-])=C1	REAL300012091668	0	44	0.0	-92.90	380.64	8.21	-84.69
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(Cl)C=C2F)C([N+](=O)[O-])=C1	REAL300012091669	0	40	0.0	-89.43	363.69	9.18	-80.25
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C([N+](=O)[O-])=C1	REAL300012091670	0	44	0.0	-93.20	387.39	8.43	-84.77
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(Cl)=CC=C2F)C([N+](=O)[O-])=C1	REAL300012091671	0	40	0.0	-88.05	361.18	9.15	-78.90
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(F)=CC(F)=C2)C([N+](=O)[O-])=C1	REAL300012091672	0	40	0.0	-95.77	354.21	8.77	-87.00
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(Cl)=C2F)C([N+](=O)[O-])=C1	REAL300012091673	0	40	0.0	-89.26	363.14	9.16	-80.10
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C2=CC=CC=C12	REAL300012091674	0	50	0.0	-92.36	410.71	10.12	-82.24
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C([N+](=O)[O-])=C1	REAL300012091675	0	47	0.0	-90.88	399.76	8.56	-82.32
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NNC=C2C2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300012091675	1	47	0.0	-84.18	398.77	8.56	-75.62
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(F)=C2F)C([N+](=O)[O-])=C1	REAL300012091676	0	40	0.0	-90.46	353.25	8.73	-81.73
CN1C2=CC=CC=C2N=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091677	0	46	0.0	-93.95	387.81	8.98	-84.97
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300012091678	0	43	0.0	-94.48	368.43	5.33	-89.15
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C3OCCC3=C2)C([N+](=O)[O-])=C1	REAL300012091679	0	45	0.0	-92.50	377.28	8.48	-84.02
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C([N+](=O)[O-])=C1	REAL300012091680	0	50	0.0	-91.11	415.61	12.04	-79.07
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(N3CCCC3)N=C2)C([N+](=O)[O-])=C1	REAL300012091681	0	51	0.0	-92.28	415.32	8.54	-83.74
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C3C=CNC3=CC=C2)C([N+](=O)[O-])=C1	REAL300012091682	0	44	0.0	-87.31	370.06	8.63	-78.68
CC1=CC(F)=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091683	0	43	0.0	-92.50	362.59	9.32	-83.18
CC1=NC(C)=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012091684	0	42	0.0	-89.64	367.24	7.10	-82.54
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C([N+](=O)[O-])=C1	REAL300012091685	0	49	0.0	-88.90	413.11	10.51	-78.39
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C([N+](=O)[O-])=C1	REAL300012091686	0	49	0.0	-92.82	410.62	10.28	-82.54
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C([N+](=O)[O-])=C1	REAL300012091687	0	49	0.0	-94.93	410.81	10.29	-84.64
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091688	0	55	0.0	-89.88	435.18	9.14	-80.74
CNC(=O)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091689	0	47	0.0	-100.07	397.85	6.92	-93.15
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C([N+](=O)[O-])=C1	REAL300012091690	0	47	0.0	-96.16	406.63	9.91	-86.25
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CC=CC=C3C=C2)C([N+](=O)[O-])=C1	REAL300012091691	0	46	0.0	-90.84	387.50	10.89	-79.95
COC1=C2OC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=CC2=CC=C1	REAL300012091692	0	47	0.0	-92.87	398.77	8.45	-84.42
COC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC(OC)=C1	REAL300012091693	0	48	0.0	-89.77	400.39	7.24	-82.53
COC1=CC2=CC=C(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])C=C2C=C1	REAL300012091694	0	50	0.0	-94.15	416.85	10.19	-83.96
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CC=CC=C3NC2=O)C([N+](=O)[O-])=C1	REAL300012091696	0	46	0.0	-88.72	391.75	7.68	-81.04
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(N3CCCCC3)C=C2)C([N+](=O)[O-])=C1	REAL300012091697	0	55	0.0	-89.11	431.82	9.89	-79.22
COC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=C1SC	REAL300012091698	0	48	0.0	-94.78	410.31	8.98	-85.80
N#CCCCOC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091699	0	51	0.0	-95.47	435.10	10.18	-85.29
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C([N+](=O)[O-])=C1	REAL300012091700	0	47	0.0	-97.30	400.79	8.57	-88.73
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C([N+](=O)[O-])=C1	REAL300012091701	1	46	0.0	-93.85	394.29	8.46	-85.39
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C([N+](=O)[O-])=C1	REAL300012091702	0	46	0.0	-89.34	404.54	9.40	-79.94
CN1C=NC2=CC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=CC=C21	REAL300012091703	0	46	0.0	-93.07	389.77	9.98	-83.09
CCN1N=C(C)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1C	REAL300012091704	0	49	0.0	-90.64	405.09	8.28	-82.36
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C([N+](=O)[O-])=C1	REAL300012091705	0	46	0.0	-91.02	406.42	9.66	-81.36
CC1(C)CC2=CC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=CC=C2O1	REAL300012091706	0	51	0.0	-92.30	418.81	9.88	-82.42
O=C([O-])C1=CC=C(NCC[NH2+]CC2=COC(C3=CC=CC=C3)=N2)C([N+](=O)[O-])=C1	REAL300012091707	0	46	0.0	-89.59	398.05	7.07	-82.52
CC1=CC=CC(C2=NNC=C2C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091708	0	50	0.0	-89.29	419.06	9.16	-80.13
CC1=CC=C(F)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091709	0	43	0.0	-84.45	367.31	9.35	-75.10
CC1=CC=C(F)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091710	0	43	0.0	-90.68	362.62	9.32	-81.36
CC1=NC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091711	0	42	0.0	-91.78	351.95	7.38	-84.40
CC(C)COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091712	0	53	0.0	-89.81	434.35	10.36	-79.45
COCCOC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091713	0	51	0.0	-92.29	426.37	8.13	-84.16
CC1(C)CCCC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C1	REAL300012091714	0	52	0.0	-87.42	396.37	9.85	-77.57
CC1=CCCC(C)C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091715	0	50	0.0	-83.58	385.05	9.94	-73.64
COC1=CC2=C(C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])OCO2	REAL300012091716	0	47	0.0	-89.46	395.55	6.65	-82.81
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=CC3=CC=CC=C32)C([N+](=O)[O-])=C1	REAL300012091717	0	45	0.0	-91.03	377.81	9.00	-82.03
CC(C)COC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091718	0	53	0.0	-88.21	434.36	10.36	-77.85
CC1=CC(Cl)=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091719	0	43	0.0	-91.25	372.91	9.78	-81.47
O=C([O-])C1=CC=C(NCC[NH2+]CC=CC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1	REAL300012091720	0	44	0.0	-93.24	378.84	10.00	-83.24
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(Cl)N=C2)C([N+](=O)[O-])=C1	REAL300012091721	0	39	0.0	-97.40	353.09	7.27	-90.13
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=CC(Br)=C2)C([N+](=O)[O-])=C1	REAL300012091722	0	39	0.0	-94.41	357.56	7.45	-86.96
CN1N=NC2=CC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=CC=C21	REAL300012091723	0	45	0.0	-100.96	385.37	7.08	-93.88
O=C([O-])C1=CC=C(NCC[NH2+]CC2CCCCCC2)C([N+](=O)[O-])=C1	REAL300012091724	0	49	0.0	-86.79	373.57	9.41	-77.38
CC1(C)CC2=CC=CC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=C2O1	REAL300012091725	0	51	0.0	-84.18	416.19	9.82	-74.36
COC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012091726	0	43	0.0	-89.05	368.55	5.30	-83.75
CN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012091727	0	50	0.0	-88.93	420.46	9.74	-79.19
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C([N+](=O)[O-])=C1	REAL300012091728	0	47	0.0	-91.21	399.75	9.83	-81.38
CC(C)N1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300012091729	0	46	0.0	-89.98	384.43	7.83	-82.15
CC1=NC2=CC=C(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])C=C2C=C1	REAL300012091730	0	48	0.0	-96.71	404.09	9.61	-87.10
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC=CC=C2C(F)(F)F)C([N+](=O)[O-])=C1	REAL300012091731	0	42	0.0	-80.74	365.25	7.70	-73.04
CC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=C1N1C=NC=N1	REAL300012091732	0	49	0.0	-100.20	416.11	12.18	-88.02
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CC(F)=CC=C3O2)C([N+](=O)[O-])=C1	REAL300012091733	0	43	0.0	-94.12	375.68	9.23	-84.89
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(OCC(F)F)C=C2)C([N+](=O)[O-])=C1	REAL300012091734	0	47	0.0	-95.15	405.76	9.18	-85.97
COCC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091735	0	47	0.0	-89.56	396.45	8.36	-81.20
CCCCOC1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091736	0	53	0.0	-82.39	434.39	10.51	-71.88
COC1=CC(C)=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1OC	REAL300012091737	0	51	0.0	-93.57	414.92	8.44	-85.13
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CNN=C2C2=CSC=C2)C([N+](=O)[O-])=C1	REAL300012091738	0	44	0.0	-89.30	387.63	7.43	-81.87
CC1CCC2=C(C1)SC(C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])=N2	REAL300012091739	0	49	0.0	-86.01	410.70	8.99	-77.02
CC(C)(C)C1CCC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300012091740	0	58	0.0	-86.79	431.19	10.94	-75.85
CC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C(C)O1	REAL300012091741	0	43	0.0	-87.66	363.23	8.25	-79.41
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(OCC3CC3)C=C2)C([N+](=O)[O-])=C1	REAL300012091742	0	51	0.0	-90.46	424.42	10.44	-80.02
CC(C)CC1=NC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012091743	0	48	0.0	-88.79	409.24	8.82	-79.97
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CNN=C2C2=CC=CC=C2F)C([N+](=O)[O-])=C1	REAL300012091744	0	47	0.0	-92.58	404.01	8.57	-84.01
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(Cl)OC3=CC=CC=C32)C([N+](=O)[O-])=C1	REAL300012091745	0	43	0.0	-88.66	385.51	9.59	-79.07
COCCOC1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091746	0	51	0.0	-82.91	425.02	8.19	-74.72
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC3=C(CCC3)S2)C([N+](=O)[O-])=C1	REAL300012091747	0	43	0.0	-87.80	369.51	7.78	-80.02
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091748	0	44	0.0	-90.42	370.89	7.93	-82.49
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)C([N+](=O)[O-])=C1	REAL300012091749	0	47	0.0	-91.96	408.04	10.59	-81.37
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300012091750	0	40	0.0	-87.10	344.05	7.59	-79.51
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300012091751	0	40	0.0	-87.18	341.38	8.63	-78.55
CC(C)(C)C1=NC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012091752	0	48	0.0	-88.77	408.23	8.43	-80.34
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C3OCCOC3=C2)C([N+](=O)[O-])=C1	REAL300012091753	0	46	0.0	-92.51	385.89	7.79	-84.72
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(Br)=C2)C([N+](=O)[O-])=C1	REAL300012091754	0	40	0.0	-90.80	362.68	9.25	-81.55
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(Cl)=C2)C([N+](=O)[O-])=C1	REAL300012091755	0	40	0.0	-90.74	358.12	9.14	-81.60
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(C3=CC=CC=C3)N=C2)C([N+](=O)[O-])=C1	REAL300012091756	0	47	0.0	-93.93	400.22	9.84	-84.09
CC(C)(C)N1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300012091757	0	49	0.0	-89.45	404.15	8.45	-81.00
CC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC(C)=C1	REAL300012091758	0	46	0.0	-87.42	384.20	9.96	-77.46
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(CO)O2)C([N+](=O)[O-])=C1	REAL300012091759	0	41	0.0	-90.53	355.46	4.25	-86.28
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CS2)C([N+](=O)[O-])=C1	REAL300012091760	0	37	0.0	-85.86	331.61	7.74	-78.12
CC(=O)NC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091761	0	47	0.0	-93.97	397.36	7.50	-86.47
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC=C2Cl)C([N+](=O)[O-])=C1	REAL300012091762	0	40	0.0	-82.96	353.27	9.12	-73.84
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC([N+](=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300012091763	0	42	0.0	-102.35	369.60	9.30	-93.05
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C([N+](=O)[O-])C=C2)C([N+](=O)[O-])=C1	REAL300012091764	0	42	0.0	-105.43	369.60	9.30	-96.13
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC3=CC=CC=C32)C([N+](=O)[O-])=C1	REAL300012091765	0	46	0.0	-89.61	382.38	10.77	-78.84
CN(C)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091766	0	48	0.0	-86.63	393.91	9.06	-77.57
CCN(CC)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091767	0	54	0.0	-85.70	436.52	10.94	-74.76
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(Br)C=C2)C([N+](=O)[O-])=C1	REAL300012091768	0	40	0.0	-92.37	362.68	9.26	-83.11
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(Cl)C=C2)C([N+](=O)[O-])=C1	REAL300012091769	0	40	0.0	-92.16	358.11	9.15	-83.01
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O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1	REAL300012091771	0	40	0.0	-93.44	347.79	8.70	-84.74
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC=C2OC(F)F)C([N+](=O)[O-])=C1	REAL300012091772	0	44	0.0	-88.23	379.29	8.28	-79.95
COC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1OC	REAL300012091773	0	48	0.0	-85.48	400.28	7.93	-77.55
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(Cl)C=C2Cl)C([N+](=O)[O-])=C1	REAL300012091774	0	40	0.0	-87.88	370.83	9.59	-78.29
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1OC	REAL300012091775	0	48	0.0	-94.63	400.13	7.83	-86.80
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(OC)=C1	REAL300012091776	0	48	0.0	-85.49	399.00	7.30	-78.19
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C(F)(F)F)C=C2)C([N+](=O)[O-])=C1	REAL300012091777	0	43	0.0	-95.43	380.12	9.64	-85.79
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(F)C=C2F)C([N+](=O)[O-])=C1	REAL300012091778	0	40	0.0	-90.40	353.37	8.73	-81.67
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(Cl)=C2Cl)C([N+](=O)[O-])=C1	REAL300012091779	0	40	0.0	-87.59	369.30	9.53	-78.06
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(Cl)C(Cl)=C2)C([N+](=O)[O-])=C1	REAL300012091780	0	40	0.0	-95.70	373.31	9.60	-86.10
O=C([O-])C1=CC=C(NCC[NH2+]CC2CC=CCC2)C([N+](=O)[O-])=C1	REAL300012091781	0	44	0.0	-88.10	354.75	8.87	-79.23
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(OC(F)F)C=C2)C([N+](=O)[O-])=C1	REAL300012091782	0	44	0.0	-92.44	380.65	8.22	-84.22
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC=C2C(F)(F)F)C([N+](=O)[O-])=C1	REAL300012091783	0	43	0.0	-90.66	369.97	9.71	-80.95
CCCCOC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091784	0	53	0.0	-90.15	435.74	10.44	-79.71
COC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091785	0	44	0.0	-88.76	370.89	7.93	-80.83
CC(=CC1=CC=CC=C1)C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091786	0	47	0.0	-88.39	388.88	10.37	-78.02
CCOC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1OC	REAL300012091787	0	51	0.0	-94.46	421.99	8.75	-85.71
CC(C)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091788	0	49	0.0	-87.05	401.60	10.56	-76.49
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(C(F)(F)F)=C2)C([N+](=O)[O-])=C1	REAL300012091789	0	43	0.0	-93.42	380.45	9.65	-83.77
CCOC1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091790	0	47	0.0	-82.21	391.40	8.93	-73.28
CCOC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091791	0	47	0.0	-90.26	392.75	8.86	-81.40
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC=C2F)C([N+](=O)[O-])=C1	REAL300012091792	0	40	0.0	-84.53	345.95	8.68	-75.85
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(F)=C2)C([N+](=O)[O-])=C1	REAL300012091793	0	40	0.0	-91.81	347.80	8.70	-83.11
COC1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091794	0	44	0.0	-82.68	369.53	8.00	-74.68
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])SC=C1	REAL300012091795	0	40	0.0	-85.38	350.12	8.31	-77.07
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C([N+](=O)[O-])=C1	REAL300012091796	0	50	0.0	-90.62	415.60	12.05	-78.57
CC1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091797	0	43	0.0	-86.53	356.22	9.26	-77.27
COC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C2=CC=CC=C2C=C1	REAL300012091798	0	50	0.0	-83.40	411.76	10.11	-73.29
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091799	0	43	0.0	-87.16	362.79	9.31	-77.85
N#CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091800	0	41	0.0	-99.90	362.24	9.03	-90.87
CSC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091801	0	44	0.0	-91.00	381.60	9.66	-81.34
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(Cl)C=CC=C2Cl)C([N+](=O)[O-])=C1	REAL300012091802	0	40	0.0	-79.52	369.50	9.45	-70.07
CC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091803	0	43	0.0	-87.30	362.79	9.30	-78.00
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CSC=C2)C([N+](=O)[O-])=C1	REAL300012091804	0	37	0.0	-87.29	331.37	7.58	-79.71
CCC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091805	0	46	0.0	-87.08	384.28	10.08	-77.00
CC1=CC(C)=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C)=C1	REAL300012091806	0	49	0.0	-86.54	395.97	10.36	-76.18
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(F)C=CC=C2F)C([N+](=O)[O-])=C1	REAL300012091807	0	40	0.0	-81.74	352.02	8.67	-73.07
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(F)C(F)=C2)C([N+](=O)[O-])=C1	REAL300012091808	0	40	0.0	-98.72	354.10	8.75	-89.97
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012091809	0	40	0.0	-85.71	353.49	8.54	-77.17
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC=C2Br)C([N+](=O)[O-])=C1	REAL300012091810	0	40	0.0	-82.41	356.84	9.22	-73.19
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1O	REAL300012091811	0	45	0.0	-93.27	381.65	5.77	-87.50
CC1=NN(C)C(C)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091812	0	46	0.0	-91.00	383.27	7.41	-83.59
CC1=NN(C)C(Cl)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091813	0	43	0.0	-87.75	379.54	7.27	-80.48
CCC1=NN(C)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091814	0	46	0.0	-90.35	381.07	7.80	-82.55
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(CC(F)(F)F)N=C2)C([N+](=O)[O-])=C1	REAL300012091815	0	43	0.0	-95.65	383.61	7.80	-87.85
CN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C(C)(C)C)=N1	REAL300012091816	0	52	0.0	-89.85	412.01	8.77	-81.08
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CN=C2)C([N+](=O)[O-])=C1	REAL300012091817	0	39	0.0	-91.56	336.21	6.85	-84.71
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CO2)C([N+](=O)[O-])=C1	REAL300012091818	0	37	0.0	-87.13	322.13	6.77	-80.36
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NC=C2)C([N+](=O)[O-])=C1	REAL300012091819	0	39	0.0	-93.42	336.26	6.86	-86.56
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(Cl)O2)C([N+](=O)[O-])=C1	REAL300012091820	0	37	0.0	-90.87	339.20	7.39	-83.48
CN(CCC#N)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091821	0	52	0.0	-91.95	435.30	10.48	-81.47
CCOC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1OC	REAL300012091822	0	51	0.0	-85.26	422.12	8.85	-76.41
C#CCOC1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091823	0	46	0.0	-82.76	397.18	9.47	-73.29
CC1=NOC(C)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091824	0	42	0.0	-94.56	358.51	7.42	-87.14
CC1=NC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CS1	REAL300012091825	0	39	0.0	-85.00	347.95	6.35	-78.65
COC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC2=C1OCO2	REAL300012091826	0	47	0.0	-99.83	396.96	6.58	-93.25
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NN(C3=CC=CC=C3)N=C2)C([N+](=O)[O-])=C1	REAL300012091827	1	46	0.0	-92.45	395.82	8.42	-84.03
CN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300012091828	0	40	0.0	-90.83	344.20	6.44	-84.39
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1C	REAL300012091829	0	47	0.0	-90.33	390.97	8.68	-81.65
CC(C)(C)C1=NNC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091830	0	49	0.0	-90.07	388.89	7.46	-82.61
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC=CN2)C([N+](=O)[O-])=C1	REAL300012091831	0	37	0.0	-89.85	320.81	5.36	-84.49
COC1=CC=CC(OC)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091832	0	48	0.0	-78.19	397.71	7.35	-70.84
CN1C=CN=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091833	0	40	0.0	-90.76	338.54	6.97	-83.79
COC1=CC=C(F)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091834	0	44	0.0	-86.40	372.89	7.94	-78.46
CSC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012091835	0	41	0.0	-88.82	374.90	8.96	-79.86
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC3=C2OCO3)C([N+](=O)[O-])=C1	REAL300012091836	0	43	0.0	-88.88	364.90	7.26	-81.62
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=CN=C2)C([N+](=O)[O-])=C1	REAL300012091837	0	38	0.0	-95.37	331.02	6.64	-88.73
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(Cl)C=CS2)C([N+](=O)[O-])=C1	REAL300012091838	0	37	0.0	-83.40	346.90	8.18	-75.22
CS(=O)(=O)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091839	0	46	0.0	-100.36	402.07	6.16	-94.20
COC1=CC=C(F)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091840	0	44	0.0	-86.13	375.92	8.07	-78.06
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NNC=C2)C([N+](=O)[O-])=C1	REAL300012091841	0	37	0.0	-85.93	321.29	5.04	-80.89
NC(=O)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091842	0	44	0.0	-99.88	375.93	5.42	-94.46
COC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=C1F	REAL300012091843	0	44	0.0	-98.05	377.12	8.00	-90.05
COC1=CC=C(Cl)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091844	0	44	0.0	-85.22	386.26	8.51	-76.71
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=CS2)C([N+](=O)[O-])=C1	REAL300012091845	0	36	0.0	-90.65	323.64	5.86	-84.79
CN1C=NC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091846	0	40	0.0	-92.56	341.55	7.77	-84.79
COC(=O)C1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CN1C	REAL300012091847	0	47	0.0	-94.10	400.82	8.83	-85.27
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1Cl	REAL300012091848	0	43	0.0	-90.54	376.85	9.73	-80.81
COC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=C1C	REAL300012091849	0	47	0.0	-90.49	390.97	8.68	-81.81
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CSC=N2)C([N+](=O)[O-])=C1	REAL300012091850	1	36	0.0	-85.13	326.00	5.64	-79.49
CC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1F	REAL300012091851	0	43	0.0	-84.90	367.27	9.30	-75.60
N#CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(F)=C1	REAL300012091852	0	41	0.0	-96.75	367.78	9.05	-87.70
CC1=NNC(C)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091853	0	43	0.0	-90.79	361.93	6.17	-84.62
CC1=NNC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091854	0	40	0.0	-91.31	340.88	5.72	-85.59
CN1N=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091855	0	40	0.0	-94.31	342.01	6.21	-88.10
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(Br)C=N2)C([N+](=O)[O-])=C1	REAL300012091856	0	39	0.0	-89.69	357.68	7.41	-82.28
C#CCCOC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091857	0	49	0.0	-91.00	420.03	10.18	-80.82
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN3C=CC=CC3=N2)C([N+](=O)[O-])=C1	REAL300012091858	0	43	0.0	-87.60	368.36	9.15	-78.45
CC1=NN(C)C2=NC=C(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])C=C12	REAL300012091859	0	48	0.0	-101.41	407.66	8.36	-93.05
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CSC(C3CC3)=N2)C([N+](=O)[O-])=C1	REAL300012091860	1	43	0.0	-86.26	375.34	7.84	-78.42
CCC1=NC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CS1	REAL300012091861	0	42	0.0	-84.81	369.44	7.11	-77.70
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C([N+](=O)[O-])=C1	REAL300012091862	0	43	0.0	-88.71	385.08	9.65	-79.06
CC1=NN(C)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091863	0	43	0.0	-91.17	364.61	6.97	-84.20
CCN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300012091864	0	43	0.0	-90.47	365.73	7.30	-83.17
CN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N=N1	REAL300012091865	1	39	0.0	-92.43	338.19	5.14	-87.29
NC(=O)C1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091866	0	44	0.0	-93.64	375.94	5.41	-88.23
CN1C=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012091867	0	40	0.0	-85.71	344.26	6.35	-79.36
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC=CN2CC(F)(F)F)C([N+](=O)[O-])=C1	REAL300012091868	0	43	0.0	-93.18	378.59	8.12	-85.06
O=C([O-])C1=CC=C(NCC[NH2+]CC2CCCCCCC2)C([N+](=O)[O-])=C1	REAL300012091869	0	52	0.0	-87.61	384.08	9.81	-77.80
CC1=CSC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012091870	0	39	0.0	-86.68	347.97	6.37	-80.31
COC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1F	REAL300012091871	0	44	0.0	-87.56	376.26	7.97	-79.59
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C3CCCC3=C2)C([N+](=O)[O-])=C1	REAL300012091872	0	47	0.0	-87.72	386.90	10.54	-77.18
O=C([O-])C1=CC=C(NCC[NH2+]CC2=COC=N2)C([N+](=O)[O-])=C1	REAL300012091873	1	36	0.0	-87.51	316.80	3.24	-84.27
CC(C)COC1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091874	0	53	0.0	-82.73	433.00	10.42	-72.31
CCN1N=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091875	0	43	0.0	-93.19	359.10	7.16	-86.03
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC3=C(CCCC3)S2)C([N+](=O)[O-])=C1	REAL300012091876	0	46	0.0	-86.11	389.91	8.38	-77.73
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CC=NC=C3C=C2)C([N+](=O)[O-])=C1	REAL300012091877	0	45	0.0	-96.27	382.39	9.11	-87.16
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])SC=N1	REAL300012091878	0	39	0.0	-89.88	345.30	6.39	-83.49
COC1=CC(F)=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091879	0	44	0.0	-92.67	377.31	8.00	-84.67
CC(C)(C)C1=NC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300012091880	0	50	0.0	-94.74	413.02	8.59	-86.15
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=CS1	REAL300012091881	0	40	0.0	-87.28	348.62	8.36	-78.92
CS(=O)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091882	0	45	0.0	-100.70	393.60	7.23	-93.47
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C3CCCCC3=C2)C([N+](=O)[O-])=C1	REAL300012091883	0	50	0.0	-87.38	404.08	11.12	-76.26
N#CC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012091884	0	40	0.0	-96.70	357.33	7.11	-89.59
COC(=O)C1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CN1	REAL300012091885	0	44	0.0	-94.67	383.05	7.07	-87.60
COCC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300012091886	0	44	0.0	-89.74	377.71	6.66	-83.08
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C)=C1OC	REAL300012091887	0	51	0.0	-93.31	415.82	8.46	-84.85
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CSC(Cl)=C2Cl)C([N+](=O)[O-])=C1	REAL300012091888	0	37	0.0	-88.08	362.36	8.64	-79.44
CC1=NC(F)=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091889	0	42	0.0	-99.60	355.23	7.36	-92.24
COC1=CC(C)=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091890	0	47	0.0	-82.57	390.94	8.66	-73.91
CC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CS1	REAL300012091891	0	40	0.0	-87.38	353.25	8.38	-79.00
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N=N1	REAL300012091892	0	41	0.0	-91.86	352.91	6.34	-85.52
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=C(C(F)(F)F)S2)C([N+](=O)[O-])=C1	REAL300012091893	0	39	0.0	-98.07	367.46	7.05	-91.02
CN1N=NC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091894	0	39	0.0	-101.59	336.13	5.01	-96.58
CS(=O)(=O)C1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091895	0	46	0.0	-98.28	402.08	6.15	-92.13
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(Cl)=CS2)C([N+](=O)[O-])=C1	REAL300012091896	0	37	0.0	-89.47	348.49	8.25	-81.22
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3CCCC3)C=C2)C([N+](=O)[O-])=C1	REAL300012091897	0	53	0.0	-87.09	425.55	11.85	-75.24
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N(C)N=C1	REAL300012091898	0	43	0.0	-94.21	362.30	6.81	-87.40
CC1=CC(Cl)=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091899	0	43	0.0	-90.86	379.53	9.80	-81.06
COCC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091900	0	47	0.0	-89.93	396.45	8.37	-81.56
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC=CN2C2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300012091901	0	47	0.0	-83.62	398.74	10.25	-73.37
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3CC3)C=C2)C([N+](=O)[O-])=C1	REAL300012091902	0	47	0.0	-88.87	388.10	10.71	-78.16
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC=C(Cl)S2)C([N+](=O)[O-])=C1	REAL300012091903	1	36	0.0	-89.65	343.23	6.40	-83.25
C=CN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300012091904	0	41	0.0	-92.92	355.99	7.64	-85.28
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NN2C2CCCC2)C([N+](=O)[O-])=C1	REAL300012091905	0	50	0.0	-96.41	405.02	9.11	-87.30
COC1=CC2=CC=CC=C2C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091906	0	50	0.0	-86.67	415.20	10.27	-76.40
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C(F)F)C=C2)C([N+](=O)[O-])=C1	REAL300012091907	0	43	0.0	-93.39	375.55	9.57	-83.82
COC1=CC(C)=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C)=N1	REAL300012091908	0	49	0.0	-93.98	402.22	6.39	-87.59
COC1=CC=CC(Cl)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091909	0	44	0.0	-78.89	383.62	8.41	-70.48
CCC1=CC(OC)=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091910	0	50	0.0	-89.71	404.35	9.22	-80.49
CC1=NC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N1C1=CC=CC=C1	REAL300012091911	0	50	0.0	-87.92	417.92	10.89	-77.03
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=NN1C	REAL300012091912	0	43	0.0	-90.48	360.99	6.90	-83.58
CCCN1N=C(C)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1C	REAL300012091913	0	52	0.0	-90.50	426.59	9.03	-81.47
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=C(C3CC3)N=C2)C([N+](=O)[O-])=C1	REAL300012091914	0	45	0.0	-95.66	383.38	8.29	-87.37
COCCN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300012091915	0	47	0.0	-91.80	399.41	6.35	-85.45
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3CCC3)C=C2)C([N+](=O)[O-])=C1	REAL300012091916	0	50	0.0	-87.22	407.14	11.22	-76.00
COC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC2=CC=CC=C21	REAL300012091917	0	50	0.0	-93.41	415.86	10.24	-83.17
CCOC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1F	REAL300012091918	0	47	0.0	-95.82	398.97	8.93	-86.89
COC1=CC=CC2=C(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])C=CC=C12	REAL300012091919	0	50	0.0	-92.46	410.73	10.12	-82.34
N#CC1=CSC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091920	0	38	0.0	-97.54	352.65	8.16	-89.38
COC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=C1C#N	REAL300012091921	0	45	0.0	-104.74	391.10	8.35	-96.39
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091922	0	50	0.0	-89.01	415.30	10.46	-78.55
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC=C(C(F)(F)F)S2)C([N+](=O)[O-])=C1	REAL300012091923	1	39	0.0	-92.79	366.74	6.95	-85.84
CC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=C1C#N	REAL300012091924	0	44	0.0	-100.58	381.40	9.53	-91.05
CC1=CN=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012091925	0	39	0.0	-86.11	348.09	6.57	-79.54
CC(C)CN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300012091926	0	49	0.0	-89.96	407.05	8.84	-81.12
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC=C2C2CC2)C([N+](=O)[O-])=C1	REAL300012091927	0	47	0.0	-87.03	384.43	10.64	-76.39
CCC1=CN=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012091928	0	42	0.0	-86.02	369.57	7.36	-78.66
CN1C(=O)CCC2=CC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=CC=C21	REAL300012091929	0	51	0.0	-99.60	417.25	9.53	-90.07
CC1=CC=C(OC(F)F)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091930	0	47	0.0	-88.17	400.69	8.95	-79.22
CC1=NN(C(C)C)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091931	0	49	0.0	-90.43	404.08	8.42	-82.01
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=C(C3CCCC3)S2)C([N+](=O)[O-])=C1	REAL300012091932	0	49	0.0	-88.87	413.30	9.27	-79.60
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=C(C3CC3)S2)C([N+](=O)[O-])=C1	REAL300012091933	0	43	0.0	-90.49	376.80	8.25	-82.24
CC(C)C1=NC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012091934	0	45	0.0	-88.93	390.36	7.95	-80.98
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=C(C3=CC=CO3)S2)C([N+](=O)[O-])=C1	REAL300012091935	0	43	0.0	-93.21	389.19	7.74	-85.47
CN1C=C(C2=CC=C(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])C=C2)C=N1	REAL300012091936	0	50	0.0	-93.53	421.51	9.93	-83.60
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(CC(F)F)N=C2)C([N+](=O)[O-])=C1	REAL300012091937	0	43	0.0	-96.13	377.57	7.63	-88.50
CN(C)C(=O)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N1	REAL300012091938	0	48	0.0	-103.95	398.41	6.79	-97.16
NC(=O)C1=CSC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091939	0	41	0.0	-94.00	367.73	4.50	-89.50
CCC1=NN(C)C(CC)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091940	0	52	0.0	-91.33	426.26	8.86	-82.47
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=C(C3CCC3)S2)C([N+](=O)[O-])=C1	REAL300012091941	0	46	0.0	-88.93	395.95	8.75	-80.18
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=C(C3CCCO3)S2)C([N+](=O)[O-])=C1	REAL300012091942	0	47	0.0	-93.05	405.45	6.85	-86.20
CC1=CC=CC=C1N1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N=N1	REAL300012091943	1	49	0.0	-92.89	410.37	9.21	-83.68
CN1N=C(Br)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091944	0	40	0.0	-98.55	363.73	6.70	-91.85
CCOC1=C(Cl)C=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091945	0	47	0.0	-88.71	406.28	9.51	-79.20
CCC1=CC=CC(F)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091946	0	46	0.0	-83.81	383.21	9.87	-73.94
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NN(C(F)F)C=C2)C([N+](=O)[O-])=C1	REAL300012091947	0	40	0.0	-89.43	356.86	6.48	-82.95
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)C([N+](=O)[O-])=C1	REAL300012091948	0	47	0.0	-93.41	403.98	9.61	-83.80
CC(C)C1=CN=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012091949	0	45	0.0	-85.93	389.95	7.99	-77.94
CC(C)(C)C1=CN=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012091950	0	48	0.0	-85.77	407.72	8.43	-77.34
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(C3CC3)N=CS2)C([N+](=O)[O-])=C1	REAL300012091951	0	43	0.0	-90.70	376.88	8.07	-82.63
COC(=O)C1=C(C)N(C)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091952	0	50	0.0	-98.68	419.44	9.14	-89.54
COCCCN1N=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091953	0	50	0.0	-94.11	414.27	6.99	-87.12
CC1=CC(F)=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(Cl)=C1	REAL300012091954	0	43	0.0	-80.39	382.16	9.73	-70.66
CSCC1=CN=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012091955	0	43	0.0	-88.41	392.80	7.80	-80.61
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CSC=C2C(F)(F)F)C([N+](=O)[O-])=C1	REAL300012091956	0	40	0.0	-82.91	361.28	8.61	-74.30
CCN1N=C(C)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012091957	1	45	0.0	-90.04	380.55	6.22	-83.82
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(C3CC3)=C2)C([N+](=O)[O-])=C1	REAL300012091958	0	47	0.0	-87.97	390.60	10.73	-77.24
CC1=NN(C)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091959	0	43	0.0	-94.77	363.95	6.78	-87.99
N#CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1F	REAL300012091960	0	41	0.0	-105.38	368.14	9.07	-96.31
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C([N+](=O)[O-])=C1	REAL300012091961	0	43	0.0	-100.74	381.00	7.74	-93.00
CC1=CC(F)=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(F)=C1	REAL300012091962	0	43	0.0	-81.55	373.41	9.35	-72.20
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300012091963	0	50	0.0	-87.77	425.42	9.06	-78.71
CC(C)CN1N=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091964	0	49	0.0	-94.71	403.05	8.65	-86.06
COC(=O)C1=C(C)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CN1	REAL300012091965	0	47	0.0	-95.84	396.45	7.63	-88.21
CC(C)(C#N)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012091966	0	50	0.0	-94.41	418.00	10.59	-83.82
CC(C)C1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091967	0	49	0.0	-86.85	395.29	10.43	-76.42
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NN3CCCCC3=C2)C([N+](=O)[O-])=C1	REAL300012091968	0	47	0.0	-85.11	385.99	7.97	-77.14
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=NN2C2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300012091969	0	46	0.0	-95.99	391.86	8.27	-87.72
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CN=CC=C3O2)C([N+](=O)[O-])=C1	REAL300012091970	0	42	0.0	-95.17	364.00	7.43	-87.74
COC1=CC(OC)=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1F	REAL300012091971	0	48	0.0	-89.74	405.14	7.37	-82.37
COC1=CC(F)=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1OC	REAL300012091972	0	48	0.0	-90.59	404.62	7.89	-82.70
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(Cl)=C1	REAL300012091973	0	43	0.0	-83.42	375.50	9.74	-73.68
CCC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091974	0	46	0.0	-87.31	384.27	10.07	-77.24
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(F)=C1	REAL300012091975	0	44	0.0	-88.14	376.45	7.95	-80.19
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC3=C2CCC3)C([N+](=O)[O-])=C1	REAL300012091976	0	47	0.0	-87.83	385.60	10.46	-77.37
COC1=CC=CC(F)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091977	0	44	0.0	-79.99	374.87	8.02	-71.97
CCCOC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C)=C1	REAL300012091978	0	53	0.0	-89.44	429.01	10.28	-79.16
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CC=NC=C3S2)C([N+](=O)[O-])=C1	REAL300012091979	0	42	0.0	-94.68	373.51	8.39	-86.29
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C3CCCN3N=C2)C([N+](=O)[O-])=C1	REAL300012091980	0	44	0.0	-91.26	367.86	7.24	-84.02
CCC1=C2OC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=CC2=CC=C1	REAL300012091981	0	49	0.0	-90.92	412.17	10.59	-80.33
C=CCCN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N=N1	REAL300012091982	1	46	0.0	-91.85	393.92	7.30	-84.55
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NN2CC2CC2)C([N+](=O)[O-])=C1	REAL300012091983	0	47	0.0	-92.10	390.83	8.69	-83.41
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(OC3CC3)=C2F)C([N+](=O)[O-])=C1	REAL300012091984	0	48	0.0	-88.13	407.34	9.63	-78.50
CCOC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C)=C1	REAL300012091985	0	50	0.0	-89.63	407.57	9.48	-80.15
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(F)=C2OC(F)F)C([N+](=O)[O-])=C1	REAL300012091986	0	44	0.0	-91.41	383.09	8.34	-83.07
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(F)=CC=C2OC(F)F)C([N+](=O)[O-])=C1	REAL300012091987	0	44	0.0	-91.40	385.68	8.35	-83.05
COC1=NC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012091988	0	43	0.0	-86.29	367.17	5.41	-80.88
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(C3CCCC3)=C2)C([N+](=O)[O-])=C1	REAL300012091989	0	53	0.0	-87.44	425.62	11.84	-75.60
CN1C=C(C2=NN(C)C=C2C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300012091990	0	50	0.0	-89.71	424.01	7.59	-82.12
COCC1=CSC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012091991	0	44	0.0	-87.97	386.92	7.47	-80.50
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(C3CCC3)N=N2)C([N+](=O)[O-])=C1	REAL300012091992	1	46	0.0	-91.48	383.57	7.11	-84.37
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CSC(C(F)(F)F)=C2)C([N+](=O)[O-])=C1	REAL300012091993	0	40	0.0	-94.53	372.01	8.78	-85.75
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C(F)(F)F)O2)C([N+](=O)[O-])=C1	REAL300012091994	0	40	0.0	-93.95	363.30	8.00	-85.95
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(C(F)(F)F)SC=C2)C([N+](=O)[O-])=C1	REAL300012091995	0	40	0.0	-83.98	362.33	8.75	-75.23
CN(C)C1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=CC(F)=C1F	REAL300012091996	0	48	0.0	-94.22	401.17	8.69	-85.53
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(F)C=CC(F)=C2Cl)C([N+](=O)[O-])=C1	REAL300012091997	1	40	0.0	-84.03	366.62	9.11	-74.92
CN(C)C1=CC(F)=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1F	REAL300012091998	0	48	0.0	-90.18	406.81	8.21	-81.97
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(F)C(F)=C2F)C([N+](=O)[O-])=C1	REAL300012091999	0	40	0.0	-96.37	358.53	8.80	-87.57
CCCN1N=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092000	0	46	0.0	-93.19	380.60	7.91	-85.28
CN1N=C(C(F)(F)F)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092001	0	43	0.0	-101.51	383.37	7.19	-94.32
CCCC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012092002	0	46	0.0	-85.57	396.48	10.10	-75.47
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C([N+](=O)[O-])=C1	REAL300012092003	0	47	0.0	-91.38	408.75	11.25	-80.13
CC(C)C1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092004	0	49	0.0	-87.33	401.61	10.55	-76.78
CN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(Cl)=N1	REAL300012092005	0	40	0.0	-89.36	360.81	6.85	-82.51
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(CC3CCC3)=C2)C([N+](=O)[O-])=C1	REAL300012092006	0	53	0.0	-87.56	432.44	12.14	-75.42
COC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=C1Cl	REAL300012092007	0	44	0.0	-95.83	386.92	8.48	-87.35
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NN2CC2CCC2)C([N+](=O)[O-])=C1	REAL300012092008	0	50	0.0	-95.02	412.10	9.19	-85.83
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC=C2CC(F)(F)F)C([N+](=O)[O-])=C1	REAL300012092009	0	46	0.0	-89.21	390.67	10.21	-79.00
CN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(Br)=N1	REAL300012092010	0	40	0.0	-88.77	364.85	6.92	-81.85
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(F)=C1	REAL300012092011	0	43	0.0	-84.86	368.36	9.34	-75.52
CC(=O)NC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092012	0	47	0.0	-98.30	397.44	7.55	-90.75
CN1N=CC2=CC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=CN=C21	REAL300012092013	0	45	0.0	-100.42	385.70	7.76	-92.66
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C([N+](=O)[O-])=C1	REAL300012092014	0	46	0.0	-90.78	402.39	10.43	-80.35
CN1N=C2CCCCC2=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092015	0	50	0.0	-95.58	405.58	8.63	-86.95
CC1=C(C)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CS1	REAL300012092016	0	43	0.0	-88.16	365.47	8.94	-79.22
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=C(Cl)C(F)=C2)C([N+](=O)[O-])=C1	REAL300012092017	0	39	0.0	-101.60	358.98	7.32	-94.28
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(F)C3=CC=CC=C23)C([N+](=O)[O-])=C1	REAL300012092018	0	46	0.0	-97.35	385.41	10.78	-86.57
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CN=C2Br)C([N+](=O)[O-])=C1	REAL300012092019	0	39	0.0	-87.73	351.90	7.32	-80.41
CC(C)OC1=CC=C(F)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092020	0	50	0.0	-85.22	415.65	9.61	-75.61
CCOC1=CC(F)=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092021	0	47	0.0	-92.39	399.15	8.93	-83.46
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(OC(F)F)C=C2F)C([N+](=O)[O-])=C1	REAL300012092022	0	44	0.0	-89.24	386.20	8.24	-81.00
CC(C)(C)OC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092023	0	53	0.0	-87.81	421.83	9.76	-78.05
CC1=C(Cl)C=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092024	0	43	0.0	-90.64	370.84	9.63	-81.01
COC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C(F)C=C1C	REAL300012092025	0	47	0.0	-87.04	395.48	8.72	-78.32
CC(C)(C)C1=CSC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012092026	0	48	0.0	-86.54	406.96	8.36	-78.18
COCCC1=NC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012092027	0	46	0.0	-91.58	403.25	6.42	-85.16
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(F)=CC(F)=C2O)C([N+](=O)[O-])=C1	REAL300012092028	1	41	0.0	-93.19	363.65	5.99	-87.20
CN1N=C2CCSCC2=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092029	0	48	0.0	-97.91	404.95	8.27	-89.64
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC3=C2CCOC3)C([N+](=O)[O-])=C1	REAL300012092030	0	48	0.0	-90.20	388.22	8.60	-81.60
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C3OC(=O)OC3=C2)C([N+](=O)[O-])=C1	REAL300012092031	0	42	0.0	-106.25	369.15	9.18	-97.07
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC3=NC=CC=C23)C([N+](=O)[O-])=C1	REAL300012092032	0	45	0.0	-96.74	377.49	8.88	-87.86
CCCOC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1C	REAL300012092033	0	53	0.0	-90.02	434.32	10.40	-79.62
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=NC=CN=C3C=C2)C([N+](=O)[O-])=C1	REAL300012092034	0	44	0.0	-97.18	377.43	7.05	-90.13
CCOC1=CC=CC(F)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092035	0	47	0.0	-79.52	396.72	8.94	-70.58
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012092036	0	45	0.0	-102.68	380.02	9.70	-92.98
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092037	0	48	0.0	-101.42	398.18	10.17	-91.25
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(F)=C1OC	REAL300012092038	0	48	0.0	-92.22	409.44	7.97	-84.25
COC(=O)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(F)=C1	REAL300012092039	0	46	0.0	-95.74	401.73	9.32	-86.42
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC=C2OCC(F)F)C([N+](=O)[O-])=C1	REAL300012092040	0	47	0.0	-83.21	404.40	9.25	-73.96
CC1=COC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092041	0	40	0.0	-87.30	344.04	7.46	-79.84
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(Cl)C=N2)C([N+](=O)[O-])=C1	REAL300012092042	0	39	0.0	-89.58	353.11	7.30	-82.28
CC1=CC(C#N)=CC(C)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092043	0	47	0.0	-97.89	395.31	10.08	-87.81
CC1=CN=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300012092044	1	39	0.0	-88.50	338.80	4.19	-84.31
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(CCF)N=C2)C([N+](=O)[O-])=C1	REAL300012092045	0	43	0.0	-92.62	372.32	7.44	-85.18
CC(C)(C)C1=COC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012092046	1	48	0.0	-88.69	398.96	6.01	-82.68
CCCC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012092047	0	49	0.0	-87.02	405.77	10.85	-76.17
CC1=C2C=C(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])C=NC2=NN1	REAL300012092048	0	45	0.0	-104.05	384.45	7.16	-96.89
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC=CS2)C([N+](=O)[O-])=C1	REAL300012092049	0	36	0.0	-86.45	326.17	5.78	-80.67
CN1N=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C2=CC=CC=C21	REAL300012092050	0	46	0.0	-89.79	391.33	8.55	-81.24
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C3C=CC=CC3=NN2)C([N+](=O)[O-])=C1	REAL300012092051	0	43	0.0	-100.69	368.28	7.25	-93.44
CN1C(Cl)=NC(Cl)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092052	0	40	0.0	-95.68	374.84	7.92	-87.76
CCC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012092053	0	43	0.0	-85.62	374.98	9.32	-76.30
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC=CC3=CC=CC=C32)C([N+](=O)[O-])=C1	REAL300012092054	0	45	0.0	-88.61	379.12	8.92	-79.69
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N2C=CC=CC2=N1	REAL300012092055	0	46	0.0	-96.37	388.76	9.62	-86.75
CCC1=NC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012092056	0	42	0.0	-89.31	369.58	7.35	-81.96
COC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])SC=C1	REAL300012092057	0	41	0.0	-80.94	361.51	7.04	-73.90
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C([N+](=O)[O-])=C1	REAL300012092058	0	46	0.0	-96.26	397.57	6.88	-89.38
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CSC=C2Cl)C([N+](=O)[O-])=C1	REAL300012092059	0	37	0.0	-84.04	346.08	8.04	-76.00
CC1=NN2C(=NC(C)=C2C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012092060	0	45	0.0	-91.07	396.63	7.83	-83.24
CCCC(C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C1=CC=CC=C1	REAL300012092061	0	52	0.0	-86.16	419.62	11.24	-74.92
O=C([O-])C1=CC=C(NCC[NH2+]CC2CC3CCC2C3)C([N+](=O)[O-])=C1	REAL300012092062	0	47	0.0	-87.26	366.02	9.27	-77.99
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(F)N=C2)C([N+](=O)[O-])=C1	REAL300012092063	0	39	0.0	-98.82	342.65	6.79	-92.03
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C(F)(F)F)S2)C([N+](=O)[O-])=C1	REAL300012092064	0	40	0.0	-93.89	372.25	8.94	-84.95
CC1(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])CCC1	REAL300012092065	0	43	0.0	-84.37	345.25	8.30	-76.07
O=C([O-])C1=CC=C(NCC[NH2+]CC2(C(F)F)CC2)C([N+](=O)[O-])=C1	REAL300012092066	0	40	0.0	-82.84	342.42	7.98	-74.86
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])NN=C1	REAL300012092067	0	40	0.0	-93.32	340.42	5.67	-87.65
CC1=CNN=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092067	1	40	0.0	-85.57	341.16	5.63	-79.94
CC1=CN=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N1C	REAL300012092068	0	43	0.0	-89.79	361.79	7.50	-82.29
CC(C)C1CCC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300012092069	0	55	0.0	-86.91	411.26	10.43	-76.48
COCC1=CC=CC=C1C=C(C)C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092070	0	54	0.0	-92.28	439.63	10.19	-82.09
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092071	0	50	0.0	-85.15	414.73	9.45	-75.70
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CON=C2CC2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300012092072	0	49	0.0	-100.01	417.36	10.37	-89.64
CCC1=NOC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092073	0	42	0.0	-95.10	358.76	7.39	-87.71
CN1N=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1Cl	REAL300012092074	0	40	0.0	-88.18	357.52	6.74	-81.44
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CC=CN=C3O2)C([N+](=O)[O-])=C1	REAL300012092075	0	42	0.0	-95.48	364.04	6.11	-89.37
CC1=CN=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092076	0	42	0.0	-92.63	351.54	7.47	-85.16
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C([N+](=O)[O-])=C1	REAL300012092077	0	42	0.0	-96.61	380.80	6.61	-90.00
O=C([O-])C1=CC=C(NCC[NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300012092078	0	47	0.0	-89.98	388.05	10.74	-79.24
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NC=C2Br)C([N+](=O)[O-])=C1	REAL300012092079	0	39	0.0	-88.04	352.20	7.44	-80.60
CS(=O)(=O)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012092080	0	43	0.0	-99.03	394.49	5.32	-93.71
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NN2C2=CC=CC=N2)C([N+](=O)[O-])=C1	REAL300012092081	0	46	0.0	-85.89	393.57	9.33	-76.56
CC(C)N1C=CN=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092083	0	46	0.0	-89.29	382.24	8.45	-80.84
CN1N=CC(C(F)(F)F)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092084	0	43	0.0	-93.52	379.01	7.23	-86.29
CN1N=CC(C2CC2)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092085	0	47	0.0	-94.73	392.10	8.27	-86.46
CN1N=CC(C2CCC2)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092086	0	50	0.0	-95.60	408.48	8.78	-86.82
CC1=NC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N1C	REAL300012092087	0	43	0.0	-92.91	361.06	7.56	-85.35
CC1=C2C=C(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])NC2=CC=C1	REAL300012092088	0	47	0.0	-94.30	391.72	9.19	-85.11
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NN2C2=CC=NC=C2)C([N+](=O)[O-])=C1	REAL300012092089	0	46	0.0	-93.66	392.74	7.78	-85.88
CC1=CC=C2C=C(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])NC2=C1	REAL300012092090	0	47	0.0	-92.84	394.65	9.23	-83.61
CC1=NC=CN=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092091	0	41	0.0	-90.59	345.86	5.41	-85.18
CCOC1=CN=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092092	0	46	0.0	-92.63	387.67	7.04	-85.59
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NC=C2Cl)C([N+](=O)[O-])=C1	REAL300012092093	0	39	0.0	-88.72	348.60	7.35	-81.37
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NN2C2CCOCC2)C([N+](=O)[O-])=C1	REAL300012092094	0	51	0.0	-99.11	417.04	7.27	-91.84
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC3=NNC=C32)C([N+](=O)[O-])=C1	REAL300012092095	0	43	0.0	-99.36	367.51	7.33	-92.03
CCC(F)(F)C(C)(C)C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092096	0	48	0.0	-87.04	380.90	9.01	-78.03
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NC(F)=C2)C([N+](=O)[O-])=C1	REAL300012092097	0	39	0.0	-99.24	342.69	6.81	-92.43
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C3C=CNC3=C2)C([N+](=O)[O-])=C1	REAL300012092098	0	44	0.0	-90.65	372.75	8.66	-81.99
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=C(C=CNC3=O)O2)C([N+](=O)[O-])=C1	REAL300012092099	0	43	0.0	-98.32	374.00	6.12	-92.20
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C(F)F)N=C2)C([N+](=O)[O-])=C1	REAL300012092100	0	42	0.0	-96.99	370.80	7.71	-89.28
CN(C)C1=CC=C(C#N)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092101	0	49	0.0	-91.95	414.52	9.05	-82.90
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(CC3CCOC3)N=N2)C([N+](=O)[O-])=C1	REAL300012092102	1	50	0.0	-94.86	415.85	6.08	-88.78
COC1=CN=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1C	REAL300012092103	0	46	0.0	-92.77	380.63	6.75	-86.02
CC1=CC(C)=C(C=CC[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C)=C1	REAL300012092104	0	53	0.0	-90.35	431.41	11.77	-78.58
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(CC3CCCO3)N=N2)C([N+](=O)[O-])=C1	REAL300012092105	1	50	0.0	-93.55	413.89	6.20	-87.35
CCCN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N=N1	REAL300012092106	1	45	0.0	-91.99	381.11	6.74	-85.25
CN(C)C1=CC=C(F)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092107	0	48	0.0	-86.07	399.00	8.73	-77.34
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(C3CC3)C=N2)C([N+](=O)[O-])=C1	REAL300012092108	0	44	0.0	-84.23	372.76	9.29	-74.94
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C([N+](=O)[O-])=C1	REAL300012092109	0	45	0.0	-101.68	388.81	9.07	-92.61
CC1=CC(C)=C(C=CC[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1C	REAL300012092110	0	53	0.0	-89.77	428.31	11.66	-78.11
CC1=NSC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092111	0	39	0.0	-93.07	347.95	7.05	-86.02
NS(=O)(=O)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012092112	0	45	0.0	-101.96	395.56	3.60	-98.36
CCN1N=CN=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092113	1	42	0.0	-94.96	354.78	7.81	-87.15
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=C(C3CC3)O2)C([N+](=O)[O-])=C1	REAL300012092114	0	43	0.0	-91.04	370.11	5.94	-85.10
CCC1=CNC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012092115	0	43	0.0	-89.83	364.16	6.70	-83.13
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC=CC3=C2CCCC3)C([N+](=O)[O-])=C1	REAL300012092116	0	49	0.0	-87.33	391.84	9.11	-78.22
CC1=NN(C)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1Cl	REAL300012092117	0	43	0.0	-92.85	380.47	7.29	-85.56
CN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C2CCCC2)=N1	REAL300012092118	0	53	0.0	-92.60	429.71	9.54	-83.06
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C3OCCCC3=C2)C([N+](=O)[O-])=C1	REAL300012092119	0	48	0.0	-90.66	395.09	9.26	-81.40
CN(C)C(=O)C1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092120	0	50	0.0	-93.42	413.52	8.47	-84.95
CCC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(Cl)=NN1	REAL300012092121	0	43	0.0	-87.67	374.65	6.84	-80.83
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(C3CC3)NN=C2Cl)C([N+](=O)[O-])=C1	REAL300012092122	0	44	0.0	-88.05	387.75	7.58	-80.47
CCC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C)=NO1	REAL300012092123	0	45	0.0	-93.80	376.09	8.22	-85.58
CCN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N=N1	REAL300012092124	1	42	0.0	-92.23	359.61	5.98	-86.25
CC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C2CCCCC2=N1	REAL300012092125	0	52	0.0	-95.01	413.97	9.82	-85.19
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC=C2N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012092126	0	55	0.0	-83.81	435.18	10.68	-73.13
CCOC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300012092127	0	44	0.0	-90.24	377.01	8.14	-82.10
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CSC(C(F)(F)F)=N2)C([N+](=O)[O-])=C1	REAL300012092128	1	39	0.0	-92.08	367.04	6.75	-85.33
CCN1C=NC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092129	0	43	0.0	-84.07	365.27	8.81	-75.26
CC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CN=C1F	REAL300012092130	0	42	0.0	-99.01	363.02	7.42	-91.59
CC1=CC(F)=NC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092131	0	42	0.0	-97.49	357.93	7.42	-90.07
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C(F)F)C(F)=C2)C([N+](=O)[O-])=C1	REAL300012092132	0	43	0.0	-96.84	380.59	9.59	-87.25
COC(=O)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1C	REAL300012092133	0	49	0.0	-97.69	412.36	9.82	-87.87
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C)=C1	REAL300012092134	0	47	0.0	-89.78	385.71	8.56	-81.22
CC1=C(Cl)C=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1Cl	REAL300012092135	0	43	0.0	-87.61	386.88	10.09	-77.52
CC1CC2=CC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=CC=C2O1	REAL300012092136	0	48	0.0	-92.47	398.42	9.24	-83.23
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC3=C2OC(=O)N3)C([N+](=O)[O-])=C1	REAL300012092137	0	43	0.0	-94.09	373.14	6.13	-87.96
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC3=C2OCC3)C([N+](=O)[O-])=C1	REAL300012092138	0	45	0.0	-83.81	377.15	8.44	-75.37
CSCC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012092139	0	47	0.0	-89.63	407.50	10.52	-79.11
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(CC3CCC3)N=C2)C([N+](=O)[O-])=C1	REAL300012092140	0	50	0.0	-90.37	413.63	9.38	-80.99
CN1N=C2CCOCC2=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092141	0	48	0.0	-98.82	394.19	6.21	-92.61
CN1N=C2CCCC2=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092142	0	47	0.0	-95.30	388.11	8.11	-87.19
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NN2C2CCC2)C([N+](=O)[O-])=C1	REAL300012092143	0	47	0.0	-95.01	390.16	8.43	-86.58
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(C3CCC3)N=C2)C([N+](=O)[O-])=C1	REAL300012092144	0	47	0.0	-90.34	389.55	8.42	-81.92
COC1=CC=C(C)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092145	0	47	0.0	-87.97	385.71	8.55	-79.42
CN1C=NC2=CC=CC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=C21	REAL300012092146	0	46	0.0	-96.34	379.79	9.88	-86.46
CCC1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092147	0	46	0.0	-86.38	374.94	9.92	-76.46
CN(C)C(=O)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012092148	0	50	0.0	-100.22	411.93	8.43	-91.79
CC1=CC(F)=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092149	0	43	0.0	-91.99	369.21	9.37	-82.62
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C)=C1C	REAL300012092150	0	49	0.0	-86.29	390.94	10.36	-75.93
CCNC(=O)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012092151	0	50	0.0	-99.68	419.34	7.76	-91.92
CC(C)(C)C1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092152	0	52	0.0	-82.21	395.70	10.97	-71.24
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=C3CCCCCN23)C([N+](=O)[O-])=C1	REAL300012092153	0	50	0.0	-92.92	397.45	9.03	-83.89
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CON=C2C2CC2)C([N+](=O)[O-])=C1	REAL300012092154	0	43	0.0	-95.58	369.53	8.24	-87.34
CCN1CCC2=CC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=CC=C21	REAL300012092155	0	52	0.0	-89.20	413.84	8.77	-80.43
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=NN1C(C)C	REAL300012092156	0	49	0.0	-89.62	404.33	8.40	-81.22
CSC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1Cl	REAL300012092157	0	44	0.0	-94.36	396.61	10.10	-84.26
CC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=C1C1CC1	REAL300012092158	0	50	0.0	-87.67	408.41	11.25	-76.42
CCOC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=N1	REAL300012092159	0	46	0.0	-94.12	390.33	6.27	-87.85
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1C1CC1	REAL300012092160	0	50	0.0	-87.86	408.42	11.25	-76.61
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300012092161	0	41	0.0	-90.40	355.15	7.22	-83.18
COCCOC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300012092162	0	48	0.0	-92.36	410.63	7.38	-84.98
CC1=NN(C(C)C)C(C)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092163	0	52	0.0	-90.08	424.84	8.94	-81.14
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NN(CCF)C=C2)C([N+](=O)[O-])=C1	REAL300012092164	0	43	0.0	-87.44	372.38	7.35	-80.09
CCN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C)=N1	REAL300012092165	0	46	0.0	-90.91	385.39	7.89	-83.02
CN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C2CC2)=N1	REAL300012092166	0	47	0.0	-92.06	396.26	8.61	-83.45
CN1N=C(C2CC2)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092167	0	47	0.0	-96.73	391.21	8.26	-88.47
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092168	0	50	0.0	-97.41	412.77	11.55	-85.86
CC(C)C1=NOC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092169	0	45	0.0	-95.30	379.62	7.92	-87.38
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=C(C3CCOCC3)O2)C([N+](=O)[O-])=C1	REAL300012092170	0	50	0.0	-93.21	413.67	5.09	-88.12
COC1=NC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1F	REAL300012092171	0	43	0.0	-92.97	374.06	5.39	-87.58
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN3C=CN=C3S2)C([N+](=O)[O-])=C1	REAL300012092172	0	40	0.0	-100.77	358.77	8.60	-92.17
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C(C(C)(C)C)O1	REAL300012092173	0	52	0.0	-87.43	425.33	10.20	-77.23
CC1=C(C)SC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012092174	0	42	0.0	-86.27	366.86	7.08	-79.19
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(CC3=CC=CC=C3)N=N2)C([N+](=O)[O-])=C1	REAL300012092175	1	49	0.0	-94.19	419.54	8.98	-85.21
CC1OC2=CC=C(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])C=C2C1C	REAL300012092176	0	51	0.0	-92.33	414.78	9.74	-82.59
CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1OC(F)F	REAL300012092177	0	47	0.0	-88.33	400.73	8.96	-79.37
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CSN=C2)C([N+](=O)[O-])=C1	REAL300012092178	0	36	0.0	-93.98	325.90	6.28	-87.70
CC(C)CC1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092179	0	52	0.0	-87.23	413.86	11.17	-76.06
CN1N=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1S(C)(=O)=O	REAL300012092180	1	46	0.0	-97.33	393.84	3.99	-93.34
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])NN=C1C(F)(F)F	REAL300012092181	0	43	0.0	-100.88	379.12	6.49	-94.39
CC(C)CN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N=N1	REAL300012092182	1	48	0.0	-91.71	400.90	7.49	-84.22
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC(C3CC3)=CS2)C([N+](=O)[O-])=C1	REAL300012092183	0	43	0.0	-87.08	377.02	7.85	-79.23
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(C(F)(F)F)=NN2)C([N+](=O)[O-])=C1	REAL300012092184	0	40	0.0	-100.78	362.45	5.98	-94.80
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C3CCOC3=C2)C([N+](=O)[O-])=C1	REAL300012092185	0	45	0.0	-90.33	377.24	8.47	-81.86
CN1C=C(Cl)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012092186	1	40	0.0	-83.64	360.83	6.85	-76.79
CS(=O)(=O)C1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=CS1	REAL300012092187	1	43	0.0	-93.74	381.04	5.54	-88.20
CSC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092188	0	44	0.0	-88.79	381.60	9.65	-79.14
CC(C)C1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N(C)N=C1	REAL300012092189	0	49	0.0	-94.99	403.52	8.12	-86.87
CC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC(C)=N1	REAL300012092190	0	45	0.0	-93.98	379.49	8.08	-85.90
CCCN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C)=N1	REAL300012092191	0	49	0.0	-90.75	406.89	8.65	-82.10
CCN1C=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012092192	0	43	0.0	-85.31	365.79	7.21	-78.10
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=NC=CC=C3O2)C([N+](=O)[O-])=C1	REAL300012092193	0	42	0.0	-94.89	364.02	7.35	-87.54
CC1=C(C)OC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012092194	1	42	0.0	-88.53	359.95	4.79	-83.74
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(CC3CC3)S2)C([N+](=O)[O-])=C1	REAL300012092195	0	47	0.0	-85.92	406.59	10.88	-75.04
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(OC3CC3)C=C2)C([N+](=O)[O-])=C1	REAL300012092196	0	48	0.0	-90.92	402.33	9.60	-81.32
CNC(=O)C1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092197	0	47	0.0	-93.69	397.87	6.90	-86.79
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C([N+](=O)[O-])=C1	REAL300012092198	0	54	0.0	-88.55	436.35	12.66	-75.89
CCNC(=O)C1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092200	0	50	0.0	-93.34	419.35	7.75	-85.59
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])OC2=CC=C(F)C=C12	REAL300012092201	0	46	0.0	-93.67	396.10	9.86	-83.81
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(C3CCC3)=NN2)C([N+](=O)[O-])=C1	REAL300012092202	0	47	0.0	-94.41	388.50	7.55	-86.86
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092203	0	50	0.0	-98.09	421.47	9.75	-88.34
CCCN1C=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012092204	0	46	0.0	-85.14	387.30	7.97	-77.17
CC(C)N1C=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012092205	0	46	0.0	-84.89	384.48	7.74	-77.15
CC(C)(C)C1=CN=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092206	0	51	0.0	-91.95	412.79	9.13	-82.82
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NN(CC(F)(F)F)C=C2)C([N+](=O)[O-])=C1	REAL300012092207	0	43	0.0	-89.98	383.67	7.71	-82.27
CN1C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=NC2=C1CCCC2	REAL300012092208	0	50	0.0	-90.74	401.60	9.28	-81.46
COC1=NC(Cl)=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092209	0	43	0.0	-91.25	384.03	5.82	-85.43
CN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C(F)(F)F)=N1	REAL300012092210	0	43	0.0	-90.37	379.83	7.48	-82.89
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(C(F)F)=C2F)C([N+](=O)[O-])=C1	REAL300012092211	0	43	0.0	-90.08	374.71	9.48	-80.60
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC3=C2COCC3)C([N+](=O)[O-])=C1	REAL300012092212	0	48	0.0	-90.31	388.12	8.63	-81.68
CCOC1=CC=C(Cl)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092213	0	47	0.0	-84.64	408.11	9.44	-75.20
COC1=NN(C)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092214	0	44	0.0	-88.17	377.10	4.37	-83.80
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC3=C(COCC3)S2)C([N+](=O)[O-])=C1	REAL300012092215	0	44	0.0	-88.89	380.81	5.97	-82.92
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C([N+](=O)[O-])=C1	REAL300012092216	0	47	0.0	-89.44	404.11	8.56	-80.88
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=C(CCCC3)O2)C([N+](=O)[O-])=C1	REAL300012092217	0	47	0.0	-87.11	385.67	9.47	-77.64
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300012092218	0	42	0.0	-105.46	376.01	9.37	-96.09
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(C3CCCCC3)N=C2)C([N+](=O)[O-])=C1	REAL300012092219	0	53	0.0	-89.95	426.04	9.68	-80.27
CC1=COC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012092220	1	39	0.0	-89.16	338.79	3.98	-85.18
CN(CCO)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300012092221	0	51	0.0	-91.50	420.96	6.20	-85.30
CN1C=C(Br)N=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092222	0	40	0.0	-94.30	363.60	7.52	-86.78
COC1=CC(C)=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300012092223	0	46	0.0	-93.53	383.70	5.95	-87.58
COC1=CC(C)=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1O	REAL300012092224	0	48	0.0	-92.73	396.99	6.31	-86.42
CN1C(=O)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC2=CC=CC=C21	REAL300012092225	0	49	0.0	-88.42	407.87	9.40	-79.02
COC1=NC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC=C1C	REAL300012092226	0	46	0.0	-88.74	388.69	6.03	-82.71
CCCN1C=NC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092227	0	46	0.0	-91.39	377.15	9.50	-81.89
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CNC2=O)C([N+](=O)[O-])=C1	REAL300012092228	0	40	0.0	-86.02	345.00	5.55	-80.47
O=C([O-])C1=CC=C(NCC[NH2+]CC=CC2=CC=C3OCOC3=C2)C([N+](=O)[O-])=C1	REAL300012092229	0	47	0.0	-96.41	398.49	8.59	-87.82
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(CC3CCC3)C=C2)C([N+](=O)[O-])=C1	REAL300012092230	0	53	0.0	-86.78	432.50	12.15	-74.63
CCC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=NN1CC	REAL300012092231	0	49	0.0	-89.34	398.25	8.52	-80.82
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(F)C=CC(Cl)=C2F)C([N+](=O)[O-])=C1	REAL300012092232	0	40	0.0	-84.81	368.20	9.18	-75.63
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(C3CC3)=NN2)C([N+](=O)[O-])=C1	REAL300012092233	0	44	0.0	-94.63	373.00	7.10	-87.53
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NN2C2CC2(F)F)C([N+](=O)[O-])=C1	REAL300012092234	0	44	0.0	-102.27	385.10	8.17	-94.10
COC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=CS1	REAL300012092235	0	41	0.0	-82.61	362.93	7.06	-75.55
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C(F)(F)F)=CO1	REAL300012092236	0	43	0.0	-86.22	380.73	8.42	-77.80
CC(F)(F)C1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092237	0	46	0.0	-91.23	394.60	10.16	-81.07
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C([N+](=O)[O-])=C1	REAL300012092238	0	46	0.0	-94.49	404.32	9.41	-85.08
CN1C=C(C2=NNC=C2C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300012092239	0	47	0.0	-89.77	401.35	6.29	-83.48
CCCN1N=C(C)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1Cl	REAL300012092240	0	49	0.0	-87.15	422.84	8.90	-78.25
CC(C)(C#N)C1=NC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300012092241	0	46	0.0	-92.61	408.06	7.97	-84.64
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(F)=CC(F)=C2F)C([N+](=O)[O-])=C1	REAL300012092242	0	40	0.0	-92.38	358.64	8.81	-83.57
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C([N+](=O)[O-])=C1	REAL300012092243	0	47	0.0	-90.41	406.95	11.06	-79.35
CC(C)(C)C1=NNC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092244	0	49	0.0	-93.82	403.39	7.47	-86.35
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C([N+](=O)[O-])=C1	REAL300012092245	0	46	0.0	-93.50	399.07	11.27	-82.23
C=CCC1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092246	0	47	0.0	-87.52	388.44	10.50	-77.02
CCN1CCCC2=CC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=CC=C21	REAL300012092247	0	55	0.0	-87.83	430.44	9.64	-78.19
COCC1=CN=C(OC)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092248	0	50	0.0	-87.56	418.78	5.15	-82.41
CN1N=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1Br	REAL300012092249	0	40	0.0	-87.73	361.65	6.82	-80.91
O=C([O-])C1=CC=C(NCC[NH2+]CC=CC2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300012092250	0	44	0.0	-89.28	372.43	9.93	-79.35
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN=NN2C2CC2)C([N+](=O)[O-])=C1	REAL300012092251	0	43	0.0	-100.89	367.88	6.65	-94.24
COCC1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092252	0	47	0.0	-90.09	387.82	8.48	-81.61
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C3CCOCC3=C2)C([N+](=O)[O-])=C1	REAL300012092253	0	48	0.0	-90.33	395.10	8.72	-81.61
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(CCO)N=C2)C([N+](=O)[O-])=C1	REAL300012092254	0	44	0.0	-92.25	377.15	3.94	-88.31
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C([N+](=O)[O-])=C1	REAL300012092255	0	46	0.0	-100.67	396.01	6.81	-93.86
COC1=CC=C(F)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1OC	REAL300012092256	0	48	0.0	-82.48	405.69	7.92	-74.56
O=C([O-])C1=CC=C(NCC[NH2+]CC=CC2=CC=NC=C2)C([N+](=O)[O-])=C1	REAL300012092257	0	43	0.0	-94.61	367.45	8.17	-86.44
CN1C=CC(C2=NNC=C2C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012092258	0	47	0.0	-84.95	401.69	6.69	-78.26
C=CC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012092259	0	44	0.0	-88.41	372.51	9.72	-78.69
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(OCC3CCC3)=C2)C([N+](=O)[O-])=C1	REAL300012092260	0	54	0.0	-88.26	440.98	10.99	-77.27
CC(F)(F)C1=CC=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092261	0	46	0.0	-86.03	381.88	10.16	-75.87
CCN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C2CC2)=N1	REAL300012092262	0	50	0.0	-91.70	417.80	9.48	-82.22
CN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C2=CC=NN2C)=N1	REAL300012092263	0	50	0.0	-90.99	425.86	7.52	-83.47
CC(C)(C)C1=NOC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092264	0	48	0.0	-99.03	389.00	8.38	-90.65
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CN=CC=C3C=C2)C([N+](=O)[O-])=C1	REAL300012092265	0	45	0.0	-96.50	382.39	9.11	-87.39
CC1=CC2=CC=CC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=C2O1	REAL300012092266	0	46	0.0	-86.35	390.62	9.78	-76.57
COC1=CSC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1OC	REAL300012092267	0	45	0.0	-86.93	394.16	6.68	-80.25
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CON=C2C2CCC2)C([N+](=O)[O-])=C1	REAL300012092268	0	46	0.0	-95.76	385.84	8.70	-87.06
CS(=O)(=O)C1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])SC=C1	REAL300012092269	1	43	0.0	-92.55	383.29	5.26	-87.29
CS(=O)(=O)C1=COC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092270	0	43	0.0	-100.19	385.21	4.23	-95.96
CC(C)OC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1F	REAL300012092271	0	50	0.0	-95.62	417.20	9.57	-86.05
CCN1C=C(Cl)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012092272	1	43	0.0	-83.26	382.36	7.70	-75.56
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(F)C(Cl)=C2F)C([N+](=O)[O-])=C1	REAL300012092273	0	40	0.0	-94.66	367.98	9.23	-85.43
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC(C(F)F)=C2)C([N+](=O)[O-])=C1	REAL300012092274	0	43	0.0	-90.85	373.57	9.49	-81.36
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C([N+](=O)[O-])=C1	REAL300012092275	0	46	0.0	-87.29	391.92	10.89	-76.40
CS(=O)(=O)C1=CSC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092276	0	43	0.0	-96.96	391.12	5.21	-91.75
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CSC(Cl)=C2)C([N+](=O)[O-])=C1	REAL300012092277	0	37	0.0	-91.07	348.41	8.19	-82.88
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=NN1C1CCC1	REAL300012092278	0	50	0.0	-89.77	410.33	9.05	-80.72
CC1=NN(C2CCCC2)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092279	0	53	0.0	-95.75	429.48	9.72	-86.03
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NN2CC(F)F)C([N+](=O)[O-])=C1	REAL300012092280	0	43	0.0	-101.72	376.31	7.36	-94.36
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(F)C=CN=C2Cl)C([N+](=O)[O-])=C1	REAL300012092281	1	39	0.0	-84.66	355.91	7.24	-77.42
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C([N+](=O)[O-])=C1	REAL300012092282	0	47	0.0	-93.82	406.63	9.91	-83.91
CN(C)C1=CN=CC(F)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092283	0	47	0.0	-84.67	395.22	6.72	-77.95
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092284	1	49	0.0	-92.63	416.30	8.96	-83.67
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NN(C3CCC3)C=C2)C([N+](=O)[O-])=C1	REAL300012092285	0	47	0.0	-84.88	389.61	8.32	-76.56
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NN(CC(F)F)C=C2)C([N+](=O)[O-])=C1	REAL300012092286	0	43	0.0	-89.12	378.78	7.50	-81.62
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NN(C3CC3(F)F)C=C2)C([N+](=O)[O-])=C1	REAL300012092287	0	44	0.0	-89.28	387.31	8.08	-81.20
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CN(C3CCOCC3)N=C2)C([N+](=O)[O-])=C1	REAL300012092288	0	51	0.0	-90.97	416.81	7.28	-83.69
CC1=CN(C)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012092289	0	43	0.0	-90.18	362.96	7.60	-82.58
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NN(C3CCCC3)C=C2)C([N+](=O)[O-])=C1	REAL300012092290	0	50	0.0	-84.67	407.16	8.99	-75.68
O=C([O-])C1=CC=C(NCC[NH2+]CC2=NC=C(Cl)C=C2Cl)C([N+](=O)[O-])=C1	REAL300012092291	1	39	0.0	-84.13	367.24	7.71	-76.42
CC1=NSC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092292	0	39	0.0	-94.56	343.40	6.78	-87.78
CC1=NN(C2CCCC2)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092293	0	53	0.0	-90.37	426.74	9.67	-80.70
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC=C2C(F)F)C([N+](=O)[O-])=C1	REAL300012092294	0	43	0.0	-86.28	365.02	9.63	-76.65
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=CNN=C3C=C2)C([N+](=O)[O-])=C1	REAL300012092295	0	43	0.0	-97.23	367.64	7.35	-89.88
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(Cl)C(F)=C2F)C([N+](=O)[O-])=C1	REAL300012092296	0	40	0.0	-94.87	368.42	9.24	-85.63
CC1=C(F)C=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092297	0	43	0.0	-92.03	362.11	9.22	-82.81
CN1C=C(C2=CC=CC(C[NH2+]CCNC3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])=C2)C=N1	REAL300012092298	0	50	0.0	-92.79	421.51	9.92	-82.87
COC1=C(C#N)C=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092299	0	45	0.0	-96.71	388.64	8.42	-88.29
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=NC(Br)=C2)C([N+](=O)[O-])=C1	REAL300012092300	0	39	0.0	-97.56	357.73	7.36	-90.20
CC1=NC(Cl)=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092301	0	42	0.0	-98.07	365.69	7.84	-90.23
COC1=CC(Cl)=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092302	0	44	0.0	-91.61	387.63	8.44	-83.17
COC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CC(F)=C1F	REAL300012092303	0	44	0.0	-103.28	383.41	8.06	-95.22
COC1=CC(C)=NC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092304	0	46	0.0	-87.01	384.09	6.81	-80.20
CC(C)N1C=NC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092305	0	46	0.0	-83.60	384.89	9.20	-74.40
CN1N=CC=C1C1=NNC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092306	0	47	0.0	-92.28	404.01	6.23	-86.05
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C2CC2)=NO1	REAL300012092307	0	46	0.0	-94.64	390.65	9.03	-85.61
COC(=O)C1=C(C)NC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1C	REAL300012092308	0	50	0.0	-97.94	425.08	8.32	-89.62
CC(C)OC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300012092309	0	47	0.0	-90.05	397.30	8.86	-81.19
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(Cl)C=CC3=C2OCO3)C([N+](=O)[O-])=C1	REAL300012092310	0	43	0.0	-83.26	381.46	7.70	-75.56
N#CC1=CC(F)=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092311	0	41	0.0	-102.03	368.65	9.08	-92.95
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3CCCCC3)C=C2)C([N+](=O)[O-])=C1	REAL300012092312	0	56	0.0	-86.96	443.24	12.44	-74.52
COC1=CC=CC=C1C=CC[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092313	0	48	0.0	-89.12	400.80	9.29	-79.83
CC1=NN(C2CCC2)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092314	0	50	0.0	-90.75	409.21	9.01	-81.74
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=NN1CC(F)F	REAL300012092315	0	46	0.0	-95.50	395.93	8.05	-87.45
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C([N+](=O)[O-])=C1	REAL300012092316	0	48	0.0	-96.34	410.57	8.97	-87.37
CCCN1N=C(C)C(Cl)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092317	0	49	0.0	-93.88	421.27	8.88	-85.00
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092318	0	47	0.0	-99.17	404.70	7.88	-91.29
COC1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C)=N1	REAL300012092319	0	46	0.0	-94.54	384.06	5.86	-88.68
CCN(C)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C)=C1	REAL300012092320	0	54	0.0	-85.51	429.47	10.61	-74.90
O=C([O-])C1=CC=C(NCC[NH2+]CC2=C(Cl)C(Cl)=CS2)C([N+](=O)[O-])=C1	REAL300012092321	0	37	0.0	-87.60	362.84	8.67	-78.93
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=NS1	REAL300012092322	0	39	0.0	-93.69	344.13	7.06	-86.63
COC1=CC(C)=CC(OC)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092323	0	51	0.0	-78.11	419.10	8.01	-70.10
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=NO1	REAL300012092324	0	39	0.0	-94.02	336.60	6.89	-87.13
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(CF)C=C2)C([N+](=O)[O-])=C1	REAL300012092325	0	43	0.0	-90.55	369.37	9.45	-81.10
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C3SC=CC3=C2)C([N+](=O)[O-])=C1	REAL300012092326	0	43	0.0	-93.12	378.31	10.01	-83.11
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C([N+](=O)[O-])=C1	REAL300012092327	0	49	0.0	-94.23	410.80	10.30	-83.93
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC=C2CO)C([N+](=O)[O-])=C1	REAL300012092328	0	44	0.0	-91.63	365.57	6.08	-85.55
CC1=NSC(C)=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092329	0	42	0.0	-94.50	363.94	7.47	-87.03
CC(C)(C)C1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=NO1	REAL300012092330	0	48	0.0	-91.35	384.48	8.68	-82.67
CC1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1C(F)(F)F	REAL300012092331	0	46	0.0	-90.27	386.08	10.20	-80.07
C=CCN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300012092332	0	44	0.0	-90.74	378.53	7.86	-82.88
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC3=NNC=C3C=C2)C([N+](=O)[O-])=C1	REAL300012092333	0	43	0.0	-92.73	367.64	7.35	-85.38
CCC(C)C1=CC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300012092334	0	52	0.0	-86.98	420.06	11.23	-75.75
CC(F)(F)C1=CC=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300012092335	0	45	0.0	-92.88	390.53	8.59	-84.29
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=CC3=C2CCCC3)C([N+](=O)[O-])=C1	REAL300012092336	0	50	0.0	-88.31	396.79	10.99	-77.32
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092337	0	47	0.0	-93.85	401.71	10.50	-83.35
O=C([O-])C1=CC=C(NCC[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C([N+](=O)[O-])=C1	REAL300012092338	0	46	0.0	-102.96	393.76	8.55	-94.41
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=CC2=CC=CC=C21	REAL300012092339	0	49	0.0	-90.36	398.87	11.32	-79.04
COC1=C2C=CNC2=CC=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092340	0	48	0.0	-85.67	402.32	8.05	-77.62
CC1=NC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C(C)S1	REAL300012092341	0	42	0.0	-85.84	364.35	7.02	-78.82
CCCN1N=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1C	REAL300012092342	0	49	0.0	-90.06	404.29	8.53	-81.53
CC1=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C2=NC=CC=C2C=C1	REAL300012092343	0	48	0.0	-81.93	397.71	9.70	-72.23
CC1=CC(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CN=C1N1C=CC=N1	REAL300012092344	0	49	0.0	-99.00	413.51	9.97	-89.03
COC(=O)C1=CN(C)C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300012092345	0	47	0.0	-98.04	403.30	8.75	-89.29
CCCN1N=C(C)C=C1C[NH2+]CCNC1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012092346	0	49	0.0	-95.05	407.35	8.45	-86.60
CN1C=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(C2CCC2)=N1	REAL300012092347	0	50	0.0	-92.08	412.56	9.04	-83.04
CC(C)(C)C1=NC=C(C[NH2+]CCNC2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300012092348	0	48	0.0	-90.60	400.59	6.13	-84.47
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C=C2C)C=N1	REAL300012092349	0	45	0.0	-46.94	353.07	7.28	-39.66
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=CC=C2C)C=N1	REAL300012092350	0	45	0.0	-32.80	356.47	7.52	-25.28
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CN=C3C=C2)C=N1	REAL300012092351	0	44	0.0	-40.26	361.20	6.57	-33.69
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CC3C=CC2C3)C=N1	REAL300012092352	0	44	0.0	-49.91	334.21	6.53	-43.38
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(C)(C)C)C=C2)C=N1	REAL300012092353	0	51	0.0	-34.86	396.38	8.55	-26.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=CC=C2)C=N1	REAL300012092354	0	46	0.0	-35.03	359.86	5.39	-29.64
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Br)O2)C=N1	REAL300012092355	1	36	0.0	-35.58	322.73	5.11	-30.47
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C)C=N1	REAL300012092356	0	49	0.0	-39.63	398.72	8.03	-31.60
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)F)C(OC)=C2)C=N1	REAL300012092357	0	47	0.0	-55.79	385.40	5.46	-50.33
CCOC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CC=C1OC	REAL300012092358	0	50	0.0	-54.43	397.50	6.10	-48.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)C=N1	REAL300012092359	0	53	0.0	-45.99	426.82	9.35	-36.64
CCCCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092360	0	55	0.0	-51.13	432.83	8.57	-42.56
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)C=N1	REAL300012092361	0	48	0.0	-58.26	404.97	8.53	-49.73
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)C=N1	REAL300012092362	0	48	0.0	-41.49	408.70	8.82	-32.67
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C)=C2C)C=N1	REAL300012092363	0	45	0.0	-46.89	349.37	7.17	-39.72
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C(C)=C2)C=N1	REAL300012092364	0	45	0.0	-48.57	355.32	7.19	-41.38
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(Br)=C2)C=N1	REAL300012092365	0	43	0.0	-53.98	366.82	5.94	-48.04
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OC(C)C)C=N1	REAL300012092366	0	49	0.0	-33.69	388.32	7.19	-26.50
CCCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1OC	REAL300012092367	0	56	0.0	-39.31	443.75	7.91	-31.40
CCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1OC	REAL300012092368	0	53	0.0	-54.29	419.00	6.90	-47.39
C=CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1OC	REAL300012092369	0	51	0.0	-54.66	410.41	6.68	-47.98
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)C=N1	REAL300012092370	0	46	0.0	-36.34	397.25	8.66	-27.68
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)C=N1	REAL300012092371	0	46	0.0	-51.19	393.62	8.42	-42.77
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2)C=N1	REAL300012092372	0	49	0.0	-41.79	404.33	7.87	-33.92
CCC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C2=CC=CC=C2O1	REAL300012092373	0	48	0.0	-34.54	390.05	8.15	-26.39
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])O2)C=N1	REAL300012092374	0	48	0.0	-57.14	400.87	9.15	-47.99
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)C=N1	REAL300012092375	1	45	0.0	-39.28	391.41	7.08	-32.20
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OC(F)(F)F)C=N1	REAL300012092376	0	43	0.0	-47.77	361.55	5.86	-41.91
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(SC(F)(F)F)C=C2)C=N1	REAL300012092377	0	43	0.0	-38.97	376.58	7.69	-31.28
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(OC)=C(O)C=C2[N+](=O)[O-])C=N1	REAL300012092378	1	46	0.0	-44.46	378.90	3.99	-40.47
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(Cl)=C1	REAL300012092379	0	43	0.0	-36.79	362.47	5.98	-30.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C=N1	REAL300012092380	0	43	0.0	-38.82	366.17	6.02	-32.80
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C#N)=C2)C=N1	REAL300012092381	0	40	0.0	-43.02	341.14	6.62	-36.40
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C=N1	REAL300012092382	0	46	0.0	-53.87	371.65	5.88	-47.99
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=C(C)C=C2)C=N1	REAL300012092383	0	49	0.0	-52.23	391.46	6.67	-45.56
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=CS2)C=N1	REAL300012092384	0	43	0.0	-46.88	360.12	5.12	-41.76
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092385	0	50	0.0	-54.11	394.68	5.11	-49.00
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC3=CC=CC=C23)C=N1	REAL300012092386	0	42	0.0	-35.56	357.18	7.62	-27.94
CCOC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(C)=NN1CC(C)C	REAL300012092387	1	58	0.0	-35.34	446.62	6.34	-29.00
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3OC2)C=N1	REAL300012092388	0	45	0.0	-38.86	366.23	6.72	-32.14
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C(C)C=C3)O2)C=N1	REAL300012092389	0	49	0.0	-35.87	401.92	8.82	-27.05
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=C(C)O2)C=N1	REAL300012092390	0	46	0.0	-37.56	377.69	5.24	-32.32
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=CN=C2)C=N1	REAL300012092391	0	45	0.0	-42.25	364.52	4.29	-37.96
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OCC3CCCO3)C=C2)C=N1	REAL300012092392	0	54	0.0	-39.61	428.60	6.85	-32.76
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)S2)C=N1	REAL300012092393	0	36	0.0	-50.82	324.15	5.73	-45.09
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)C=N1	REAL300012092394	0	46	0.0	-36.04	394.53	9.09	-26.95
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=CC=CN=C32)C=N1	REAL300012092395	0	44	0.0	-45.58	356.75	6.53	-39.05
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OCC2=CC=CC=N2)C=N1	REAL300012092396	0	52	0.0	-34.94	422.69	7.86	-27.08
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3N=C2OC)C=N1	REAL300012092397	0	48	0.0	-35.77	390.47	5.27	-30.50
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C=N1	REAL300012092398	0	46	0.0	-40.88	378.54	7.43	-33.45
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C=N1	REAL300012092399	0	45	0.0	-42.83	373.47	8.75	-34.08
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)C=N1	REAL300012092400	0	46	0.0	-50.12	393.74	8.93	-41.19
CCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)O1	REAL300012092401	1	42	0.0	-48.58	340.68	5.72	-42.86
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC=C2F)C=N1	REAL300012092402	1	39	0.0	-48.71	328.50	6.08	-42.63
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)C=N1	REAL300012092403	1	42	0.0	-33.70	368.46	7.59	-26.11
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C=C2Cl)C=N1	REAL300012092404	1	39	0.0	-36.87	339.39	6.76	-30.11
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(Cl)=C2)C=N1	REAL300012092405	0	39	0.0	-56.05	339.50	6.54	-49.51
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)C=N1	REAL300012092406	0	42	0.0	-40.91	364.48	7.27	-33.64
CCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092407	0	46	0.0	-36.79	371.65	6.46	-30.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C(F)=C2)C=N1	REAL300012092408	0	42	0.0	-52.29	343.62	6.69	-45.60
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC=C2Cl)C=N1	REAL300012092409	1	39	0.0	-45.89	345.98	6.93	-38.96
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C=C2C(F)(F)F)C=N1	REAL300012092410	0	42	0.0	-49.04	351.29	7.00	-42.04
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=C(F)C(F)=C2)C=N1	REAL300012092411	0	39	0.0	-43.83	339.16	6.41	-37.42
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)C=N1	REAL300012092412	0	42	0.0	-55.88	362.02	7.07	-48.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C(F)(F)F)=CC=C2F)C=N1	REAL300012092413	1	42	0.0	-35.18	363.27	7.30	-27.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(OC)=C2Cl)C=N1	REAL300012092414	1	47	0.0	-39.48	394.94	6.03	-33.45
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3S2)C=N1	REAL300012092415	0	42	0.0	-49.83	353.92	7.52	-42.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(F)=C2)C=N1	REAL300012092416	0	39	0.0	-56.07	339.50	6.55	-49.52
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC=C2OC(F)F)C=N1	REAL300012092417	0	43	0.0	-49.90	371.24	6.12	-43.78
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)C=N1	REAL300012092418	0	49	0.0	-39.27	385.81	4.05	-35.22
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CN=C2Cl)C=N1	REAL300012092419	1	38	0.0	-49.74	323.82	4.64	-45.10
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C=N1	REAL300012092420	0	52	0.0	-40.26	426.42	7.76	-32.50
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C(C)C)C=N1	REAL300012092421	0	48	0.0	-51.52	382.10	5.64	-45.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)N(C)N=C2C(C)C)C=N1	REAL300012092422	1	48	0.0	-34.76	400.24	6.17	-28.59
COCCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092423	0	50	0.0	-38.55	405.27	5.74	-32.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(Cl)=C2)C=N1	REAL300012092424	0	43	0.0	-54.12	362.43	5.83	-48.29
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C=N1	REAL300012092425	1	44	0.0	-43.79	380.42	5.15	-38.64
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=CC=CC=C3N2C(C)C)C=N1	REAL300012092426	1	51	0.0	-40.86	401.51	7.80	-33.06
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C=N1	REAL300012092427	0	46	0.0	-39.45	391.21	6.93	-32.52
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OCCO3)C=N1	REAL300012092428	0	45	0.0	-36.15	363.26	5.44	-30.71
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OCCCO3)C=N1	REAL300012092429	0	48	0.0	-35.57	380.46	6.24	-29.33
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092430	1	51	0.0	-39.12	403.74	8.20	-30.92
CCCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092431	0	49	0.0	-36.59	393.14	7.26	-29.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C=N1	REAL300012092432	0	46	0.0	-50.14	382.93	8.59	-41.55
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC3CCCC3)=C2)C=N1	REAL300012092433	0	53	0.0	-36.45	414.43	8.44	-28.01
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC(C)C)=C2)C=N1	REAL300012092434	0	49	0.0	-36.86	389.49	7.08	-29.78
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(C3=CC=C(C)C=C3)=N2)C=N1	REAL300012092435	1	48	0.0	-48.75	402.78	7.44	-41.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(C3=CSC=C3)=N2)C=N1	REAL300012092439	1	42	0.0	-33.77	376.16	5.98	-27.79
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C=N1	REAL300012092440	0	46	0.0	-36.21	394.54	9.09	-27.12
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OCC(=O)N(C)C)C=N1	REAL300012092441	0	53	0.0	-44.74	426.78	7.09	-37.65
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OC2CCCC2)C=N1	REAL300012092442	0	53	0.0	-33.63	413.05	8.52	-25.11
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C(C)C=C3)S2)C=N1	REAL300012092443	0	49	0.0	-34.96	409.52	9.70	-25.26
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C=N1	REAL300012092444	1	45	0.0	-56.80	382.72	6.27	-50.53
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC(Cl)=C2OC)C=N1	REAL300012092445	1	43	0.0	-37.10	382.69	6.66	-30.44
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Br)=CC=C2Cl)C=N1	REAL300012092446	0	39	0.0	-45.90	350.54	7.04	-38.86
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC=C2Br)C=N1	REAL300012092447	1	39	0.0	-45.04	349.53	7.03	-38.01
CCOC1=C(OC)C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1OC	REAL300012092448	0	54	0.0	-42.30	433.85	6.26	-36.04
COCCCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092449	0	53	0.0	-38.62	426.82	6.34	-32.28
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(Cl)C(C)=C2)C=N1	REAL300012092450	0	41	0.0	-41.09	350.78	5.47	-35.62
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092451	0	47	0.0	-49.23	383.99	4.89	-44.34
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C=CC=C2OC(F)F)C=N1	REAL300012092452	1	43	0.0	-33.63	372.06	6.26	-27.37
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC3=CC=CN=C3)C(C)=C2)C=N1	REAL300012092453	0	52	0.0	-53.72	421.37	7.78	-45.94
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3=CC=C(C)C=C3)S2)C=N1	REAL300012092454	0	48	0.0	-37.16	406.70	7.95	-29.21
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C=N1	REAL300012092455	0	44	0.0	-46.09	373.43	7.03	-39.06
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C3=CC=CN=C23)C=N1	REAL300012092456	0	44	0.0	-48.31	362.35	6.57	-41.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC3=CC=CN=C32)C=N1	REAL300012092457	0	44	0.0	-46.92	363.12	6.59	-40.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C=N1	REAL300012092458	0	44	0.0	-47.69	371.19	6.95	-40.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)C=N1	REAL300012092459	0	46	0.0	-37.96	395.01	8.30	-29.66
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C(F)C=C3C)O2)C=N1	REAL300012092460	0	49	0.0	-39.54	407.35	8.86	-30.68
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC(=O)[O-])C3=CC=C(OC)N=C3)O2)C=C1	REAL300012092461	0	52	0.0	-39.07	423.28	9.55	-29.52
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(OC(F)F)=C1	REAL300012092462	0	47	0.0	-38.96	387.72	5.17	-33.79
COC1=CC=C2OC(C[NH2+]C(CC(=O)[O-])C3=CC=C(OC)N=C3)=CC2=C1	REAL300012092463	0	46	0.0	-40.73	377.50	6.02	-34.71
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=CC=C(Cl)C=C2)C=N1	REAL300012092464	0	43	0.0	-54.46	364.75	7.81	-46.65
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)OC3=CC=CC=C32)C=N1	REAL300012092465	0	45	0.0	-37.71	368.14	7.34	-30.37
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=COC3=CC=CC=C23)C=N1	REAL300012092466	0	42	0.0	-37.86	348.19	6.62	-31.24
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)C=N1	REAL300012092467	1	47	0.0	-39.89	387.78	8.07	-31.82
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C(Br)=C2)C=N1	REAL300012092468	0	42	0.0	-51.27	356.39	7.17	-44.10
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C=N2)C=N1	REAL300012092469	0	41	0.0	-37.53	336.57	5.05	-32.48
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=CC=C(F)C=C2F)C=N1	REAL300012092470	0	43	0.0	-40.74	363.05	7.60	-33.14
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Br)C(C)=C2)C=N1	REAL300012092471	0	42	0.0	-37.34	359.66	7.41	-29.93
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C=N1	REAL300012092472	1	46	0.0	-36.47	378.98	7.33	-29.14
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)SC=C2)C=N1	REAL300012092473	1	36	0.0	-45.70	320.64	5.51	-40.19
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC3=C2OCC3)C=N1	REAL300012092474	0	44	0.0	-34.98	372.78	6.59	-28.39
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=C(F)C=CC=C3N2)C=N1	REAL300012092475	0	43	0.0	-54.73	354.92	5.99	-48.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=C(F)C=C3N2)C=N1	REAL300012092476	0	43	0.0	-55.21	355.18	6.02	-49.19
CCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=N1	REAL300012092477	1	45	0.0	-49.88	365.55	3.57	-46.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CN=C3C(C)=C2)C=N1	REAL300012092478	0	47	0.0	-39.26	381.52	7.44	-31.82
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(C)=C2)C=N1	REAL300012092479	0	42	0.0	-37.31	355.62	7.32	-29.99
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C3C=CSC3=C2)C=N1	REAL300012092480	0	41	0.0	-40.90	352.03	5.69	-35.21
CCCC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092481	0	48	0.0	-48.64	381.29	8.19	-40.45
CCN(CC)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1F	REAL300012092482	0	53	0.0	-37.51	420.61	7.34	-30.17
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(OC)=C(OC)C=C2SC)C=N1	REAL300012092483	0	51	0.0	-36.31	414.62	6.37	-29.94
COC1=CC=C2N=C(C[NH2+]C(CC(=O)[O-])C3=CC=C(OC)N=C3)SC2=C1	REAL300012092484	1	45	0.0	-37.34	381.81	5.03	-32.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=CC=C(Cl)C=C3N2C)C=N1	REAL300012092485	1	45	0.0	-42.08	383.23	7.06	-35.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(C#N)=C2)C=N1	REAL300012092486	0	44	0.0	-61.64	366.62	5.69	-55.95
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(SC(F)F)C=C2)C=N1	REAL300012092487	0	43	0.0	-52.78	366.80	7.25	-45.53
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=C(Cl)C=C2C)C=N1	REAL300012092488	0	45	0.0	-34.70	370.15	7.77	-26.93
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C=N1	REAL300012092489	0	43	0.0	-56.62	362.38	5.63	-50.99
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)N=C1	REAL300012092490	1	45	0.0	-38.60	366.58	4.60	-34.00
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(F)(F)F)C=C2C)C=N1	REAL300012092491	0	45	0.0	-52.39	370.72	7.64	-44.75
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=C(OC)C(OC)=C2)C=N1	REAL300012092492	0	47	0.0	-56.20	395.61	5.82	-50.38
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(OCC(C)C)=C2)C=N1	REAL300012092493	0	56	0.0	-39.67	442.36	7.81	-31.86
CCCOC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CC=C1OC	REAL300012092494	0	53	0.0	-54.14	419.00	6.90	-47.24
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Br)S2)C=N1	REAL300012092495	0	36	0.0	-50.82	328.78	5.84	-44.98
CCOC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CC(Cl)=C1OC	REAL300012092496	0	50	0.0	-56.09	417.47	6.74	-49.35
C=CCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092497	0	47	0.0	-37.03	384.55	7.06	-29.97
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC)=C2OC(C)C)C=N1	REAL300012092498	0	53	0.0	-46.12	409.14	7.25	-38.87
CCOC1=C(Cl)C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1OC	REAL300012092499	0	50	0.0	-56.10	417.47	6.77	-49.33
CCCOC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=CC=C1OCC	REAL300012092500	0	56	0.0	-33.23	436.70	8.24	-24.99
CCCCOC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CC=C1OC	REAL300012092501	0	56	0.0	-39.94	443.76	7.91	-32.03
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(OC(F)F)=C2)C=N1	REAL300012092502	0	47	0.0	-41.98	388.66	5.70	-36.28
CCOC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CC=C1OC(F)F	REAL300012092503	0	50	0.0	-40.56	410.53	6.62	-33.94
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=C(OC(F)F)C(C)=C2)C=N1	REAL300012092504	0	49	0.0	-38.78	398.63	7.26	-31.52
CCOC1=CC2=C(C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1)OC(C)C2	REAL300012092505	0	54	0.0	-34.19	427.30	7.12	-27.07
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(OC)=C3OCCOC3=C2)C=N1	REAL300012092506	0	49	0.0	-40.92	393.85	5.24	-35.68
CCCCN1N=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1Cl	REAL300012092507	1	51	0.0	-34.48	423.25	7.30	-27.18
CCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1OC(F)F	REAL300012092508	0	50	0.0	-34.56	402.14	7.04	-27.52
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=C(C)C=C2C)C=N1	REAL300012092509	0	48	0.0	-46.74	370.07	7.81	-38.93
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C=N1	REAL300012092510	0	46	0.0	-50.06	384.73	8.79	-41.27
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC(F)=C3F)O2)C=N1	REAL300012092511	0	46	0.0	-39.19	395.23	8.32	-30.87
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC(C)(C)C2=CC=CC=C2)C=N1	REAL300012092512	0	48	0.0	-49.53	365.07	7.72	-41.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2CCCCC2)C=N1	REAL300012092513	0	55	0.0	-37.49	427.11	7.78	-29.71
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCC(C)CC2)C=N1	REAL300012092514	0	48	0.0	-34.08	355.09	6.95	-27.13
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC(C)CCC2=CC=CC=C2)C=N1	REAL300012092515	0	51	0.0	-35.50	399.39	9.11	-26.39
CCC1CCCC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C1	REAL300012092516	0	51	0.0	-34.28	380.54	7.83	-26.45
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=C(CC(C)(C)CC3)S2)C=N1	REAL300012092517	1	51	0.0	-33.24	404.39	6.88	-26.36
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092518	0	45	0.0	-31.68	366.54	7.98	-23.70
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC(C)=C(C)C=C3O2)C=N1	REAL300012092519	0	48	0.0	-39.92	386.34	7.94	-31.98
CCCC1CCC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)CC1	REAL300012092520	0	54	0.0	-34.04	401.86	8.57	-25.47
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCCCC2C)C=N1	REAL300012092521	0	48	0.0	-33.39	358.13	7.03	-26.36
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)C=N1	REAL300012092522	0	46	0.0	-53.15	381.97	6.34	-46.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C=N1	REAL300012092523	0	46	0.0	-42.58	376.14	8.61	-33.97
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3F)O2)C=N1	REAL300012092524	0	46	0.0	-40.98	388.82	8.23	-32.75
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=C3OCCOC3=C2)C=N1	REAL300012092525	0	45	0.0	-54.65	377.00	5.67	-48.98
CCCCC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C2=CC=CC=C2O1	REAL300012092526	0	54	0.0	-35.03	426.74	9.68	-25.35
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N(C3=CC=C(F)C=C3)N=C2C)C=N1	REAL300012092527	0	52	0.0	-38.98	422.40	8.34	-30.64
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)C=N1	REAL300012092528	0	48	0.0	-41.24	399.04	6.70	-34.54
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=CC=C2OC)C=N1	REAL300012092529	0	46	0.0	-33.52	369.91	6.25	-27.27
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(F)=C2)C=N1	REAL300012092530	0	43	0.0	-55.94	352.63	5.36	-50.58
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCC(C(F)(F)F)CC2)C=N1	REAL300012092531	0	48	0.0	-36.17	370.47	7.16	-29.01
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCOC(C(C)C)C2)C=N1	REAL300012092532	0	52	0.0	-35.92	391.41	6.26	-29.66
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCC(C)(C)CC2)C=N1	REAL300012092533	0	51	0.0	-49.90	372.18	7.22	-42.68
CCSC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092534	0	46	0.0	-36.79	381.97	8.09	-28.70
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(O)C=CC(Cl)=C2F)C=N1	REAL300012092535	1	40	0.0	-39.59	351.26	3.95	-35.64
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2(OC)CCCCC2)C=N1	REAL300012092536	0	49	0.0	-32.29	362.40	5.54	-26.75
CCN1N=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C2=CC=CC=C21	REAL300012092537	1	48	0.0	-38.27	391.91	7.00	-31.27
COCCC1(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)CCCCC1	REAL300012092538	0	55	0.0	-47.95	395.29	6.20	-41.75
CCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092539	0	49	0.0	-51.19	389.84	7.01	-44.18
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3O2)C=N1	REAL300012092540	0	42	0.0	-39.89	348.04	6.74	-33.15
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3)O2)C=N1	REAL300012092541	0	46	0.0	-39.24	380.41	8.12	-31.12
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(C)C)C(OC)=C2)C=N1	REAL300012092542	0	53	0.0	-54.15	415.39	6.72	-47.43
CCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1OCC	REAL300012092543	0	56	0.0	-40.00	444.12	8.06	-31.94
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C([N+](=O)[O-])=C2)C=N1	REAL300012092544	0	44	0.0	-47.49	364.61	7.42	-40.07
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(C)C)C=C2)C=N1	REAL300012092545	0	49	0.0	-51.20	386.17	6.86	-44.34
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C=N1	REAL300012092546	0	60	0.0	-50.62	450.02	10.36	-40.26
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(C)=C2)C=N1	REAL300012092547	0	42	0.0	-38.29	346.88	6.92	-31.37
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3NC=CC3=CC=C2)C=N1	REAL300012092548	0	43	0.0	-49.84	348.24	6.01	-43.83
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Br)C=CS2)C=N1	REAL300012092549	0	36	0.0	-44.69	326.57	5.65	-39.04
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2N2CCOCC2)C=N1	REAL300012092550	0	52	0.0	-33.13	402.75	5.72	-27.41
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC=C2Br)C=N1	REAL300012092551	1	39	0.0	-45.71	339.20	6.59	-39.12
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CC(C)C)C=C2)C=N1	REAL300012092552	0	51	0.0	-34.17	401.48	8.91	-25.26
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=C(C)C=C3)=C2)C=N1	REAL300012092553	0	52	0.0	-36.87	415.90	10.32	-26.55
COC1=CC=C(Br)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092554	1	43	0.0	-44.84	361.49	5.86	-38.98
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C([N+](=O)[O-])=C2)C=N1	REAL300012092555	0	45	0.0	-45.30	375.80	6.98	-38.32
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C=N1	REAL300012092556	0	39	0.0	-37.79	353.64	7.23	-30.56
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC(Cl)=C2)C=N1	REAL300012092557	0	39	0.0	-53.80	340.13	6.57	-47.23
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=CC=C2C)C=N1	REAL300012092558	0	45	0.0	-32.46	349.35	7.12	-25.34
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Br)=CO2)C=N1	REAL300012092559	1	36	0.0	-50.95	318.99	4.75	-46.20
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)C=N1	REAL300012092560	0	52	0.0	-37.08	416.14	10.28	-26.80
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC(F)F)=C2)C=N1	REAL300012092561	0	43	0.0	-39.02	359.53	5.82	-33.20
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1OCC	REAL300012092562	0	53	0.0	-40.23	422.62	7.26	-32.97
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=C2F)C=N1	REAL300012092563	0	39	0.0	-38.08	342.59	6.79	-31.29
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C=N1	REAL300012092564	0	42	0.0	-40.04	372.05	7.63	-32.41
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C=C2Br)C=N1	REAL300012092565	1	39	0.0	-36.22	342.95	6.85	-29.37
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C=N1	REAL300012092566	0	43	0.0	-38.45	366.27	6.03	-32.42
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC=C2F)C=N1	REAL300012092567	1	39	0.0	-48.03	338.83	6.52	-41.51
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3OC)C=C2)C=N1	REAL300012092568	0	53	0.0	-37.04	428.48	9.30	-27.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC(F)=C2)C=N1	REAL300012092569	0	39	0.0	-39.13	333.00	6.36	-32.77
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(Cl)=C2F)C=N1	REAL300012092570	0	39	0.0	-34.68	340.63	6.80	-27.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C3=CC=CC=C23)C=N1	REAL300012092571	0	49	0.0	-37.42	389.46	7.68	-29.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C3=CC=CC=C3)C=NN2)C=N1	REAL300012092572	1	46	0.0	-49.58	372.04	6.13	-43.45
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NNC=C2C2=CC=CC=C2)C=N1	REAL300012092572	1	46	0.0	-34.88	374.99	6.15	-28.73
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2F)C=N1	REAL300012092573	1	39	0.0	-35.63	330.75	6.36	-29.27
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=CC=CC=C3N2C)C=N1	REAL300012092574	1	45	0.0	-42.65	366.50	6.55	-36.10
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=N1	REAL300012092575	0	42	0.0	-40.57	347.20	2.91	-37.66
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OCCC3=C2)C=N1	REAL300012092576	0	44	0.0	-52.96	352.78	5.85	-47.11
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(Br)=C2)C=N1	REAL300012092577	0	36	0.0	-36.18	331.81	5.90	-30.28
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C=N1	REAL300012092578	0	49	0.0	-36.64	394.40	9.63	-27.01
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C=N1	REAL300012092579	0	52	0.0	-49.12	421.69	7.57	-41.55
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3CCCC3)N=C2)C=N1	REAL300012092580	0	50	0.0	-53.03	390.81	5.92	-47.11
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3C=CNC3=CC=C2)C=N1	REAL300012092581	0	43	0.0	-34.71	351.45	6.26	-28.45
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C=C2C)C=N1	REAL300012092582	0	42	0.0	-51.10	338.06	6.69	-44.41
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Br)C(F)=C2)C=N1	REAL300012092583	0	39	0.0	-56.06	343.91	6.65	-49.41
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N=C(C)S2)C=N1	REAL300012092584	0	41	0.0	-35.57	345.74	4.69	-30.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C=N1	REAL300012092585	0	48	0.0	-40.19	391.75	8.09	-32.10
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C=N1	REAL300012092586	0	48	0.0	-38.33	389.38	7.86	-30.47
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C=N1	REAL300012092587	0	48	0.0	-38.68	389.70	7.89	-30.79
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N(C(C)(C)C)N=C2C)C=N1	REAL300012092588	0	54	0.0	-34.36	413.18	6.79	-27.57
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C=N1	REAL300012092589	1	56	0.0	-50.49	426.11	4.69	-45.80
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C=N1	REAL300012092590	0	48	0.0	-40.41	401.40	4.74	-35.67
CNC(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092591	0	46	0.0	-59.77	373.45	4.26	-55.51
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C=N1	REAL300012092592	0	46	0.0	-40.20	385.42	7.50	-32.70
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C=N1	REAL300012092593	0	46	0.0	-39.84	395.74	7.96	-31.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C=N1	REAL300012092594	0	46	0.0	-54.65	387.91	6.67	-47.98
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3C=C2)C=N1	REAL300012092595	0	45	0.0	-37.09	366.27	8.47	-28.62
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC(OC)=C3O2)C=N1	REAL300012092596	0	46	0.0	-43.01	377.53	6.03	-36.98
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(C)C)C([N+](=O)[O-])=C2)C=N1	REAL300012092597	0	50	0.0	-46.15	402.28	8.37	-37.78
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N(CC3=CC=CC=C3)N=C2C)C=N1	REAL300012092598	0	55	0.0	-36.52	438.84	8.69	-27.83
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Br)=CC=C2F)C=N1	REAL300012092599	0	39	0.0	-47.96	343.39	6.63	-41.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Br)C=C2F)C=N1	REAL300012092600	0	39	0.0	-38.12	347.15	6.89	-31.23
COC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CC(OC)=C1	REAL300012092601	0	47	0.0	-37.63	379.17	4.83	-32.80
COC1=CC2=CC=C(C[NH2+]C(CC(=O)[O-])C3=CC=C(OC)N=C3)C=C2C=C1	REAL300012092602	0	49	0.0	-40.00	395.63	7.78	-32.22
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Br)=CS2)C=N1	REAL300012092604	0	36	0.0	-35.34	331.97	5.97	-29.37
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N(C3=CC=CC=C3)N=C2C)C=N1	REAL300012092605	0	52	0.0	-38.79	413.65	8.19	-30.60
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC)=C2OC(F)F)C=N1	REAL300012092606	0	47	0.0	-48.74	383.93	5.56	-43.18
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CSC(F)F)O2)C=N1	REAL300012092607	1	43	0.0	-51.90	377.06	6.55	-45.35
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3NC2=O)C=N1	REAL300012092608	0	45	0.0	-53.07	367.24	5.06	-48.01
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(Br)=C2)C=N1	REAL300012092610	0	39	0.0	-55.95	343.91	6.64	-49.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3CCCCC3)C=C2)C=N1	REAL300012092611	0	54	0.0	-35.50	413.02	7.49	-28.01
CCCCCCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092612	0	58	0.0	-36.58	457.64	9.61	-26.97
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(SC)C(OC)=C2)C=N1	REAL300012092613	0	47	0.0	-54.33	385.82	6.32	-48.01
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OCCCC#N)=C2)C=N1	REAL300012092614	0	50	0.0	-43.84	413.98	7.78	-36.06
CCC(C)OC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CC=C1OC	REAL300012092615	0	56	0.0	-38.88	439.40	7.75	-31.13
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(OCCCC#N)=C2)C=N1	REAL300012092616	0	54	0.0	-46.26	443.11	7.65	-38.61
C=C(C)COC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CC=C1OC	REAL300012092617	0	54	0.0	-54.86	429.82	7.46	-47.40
C=CCC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CC(OC)=C1O	REAL300012092618	0	51	0.0	-39.73	415.03	5.36	-34.37
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C=N1	REAL300012092619	0	46	0.0	-56.04	376.29	5.93	-50.11
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092620	1	48	0.0	-53.64	394.82	6.91	-46.73
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C=N1	REAL300012092622	1	45	0.0	-49.60	379.69	6.73	-42.87
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)C=N1	REAL300012092623	0	52	0.0	-55.32	410.95	5.12	-50.20
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3C(=C2)N=CN3C)C=N1	REAL300012092624	0	45	0.0	-54.46	365.27	7.35	-47.11
CCN1N=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1C	REAL300012092625	0	48	0.0	-38.41	382.56	5.81	-32.60
C=CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1Cl	REAL300012092626	0	47	0.0	-54.34	397.19	7.34	-47.00
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C=N1	REAL300012092627	0	45	0.0	-37.25	385.31	7.27	-29.98
COC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C2OC(C)CC2=C1	REAL300012092628	0	51	0.0	-46.78	402.97	5.85	-40.93
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C=N1	REAL300012092629	0	50	0.0	-52.56	393.95	7.22	-45.34
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=COC(C3=CC=CC=C3)=N2)C=N1	REAL300012092630	1	45	0.0	-51.40	373.19	4.41	-46.99
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(C3=CC=CS3)=N2)C=N1	REAL300012092631	1	42	0.0	-39.60	376.63	6.05	-33.55
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=CC(C)=C2)C=N1	REAL300012092632	0	49	0.0	-35.11	376.69	6.12	-28.99
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=CC=C2F)C=N1	REAL300012092633	0	42	0.0	-32.20	345.94	6.97	-25.23
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC=C2C)C=N1	REAL300012092634	0	42	0.0	-34.16	341.47	6.93	-27.23
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)C=N1	REAL300012092635	0	42	0.0	-55.10	372.35	7.50	-47.60
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Br)C=C2Cl)C=N1	REAL300012092636	0	39	0.0	-36.17	354.29	7.30	-28.87
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C=C2Br)C=N1	REAL300012092637	1	42	0.0	-33.87	357.97	7.45	-26.42
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CN=C2C)C=N1	REAL300012092638	0	41	0.0	-50.54	326.74	4.81	-45.73
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OCC(C)C)C=C2)C=N1	REAL300012092639	0	52	0.0	-50.97	409.94	7.70	-43.27
COCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092640	0	50	0.0	-53.56	401.96	5.48	-48.08
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCCC(C)(C)C2)C=N1	REAL300012092641	0	51	0.0	-49.83	371.71	7.21	-42.62
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C=N1	REAL300012092642	0	43	0.0	-55.18	372.19	6.10	-49.08
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2C(C)=CCCC2C)C=N1	REAL300012092643	0	49	0.0	-32.25	363.34	7.64	-24.61
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=C(C=C2OC)OCO3)C=N1	REAL300012092644	0	46	0.0	-50.32	371.11	4.01	-46.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=CC3=CC=CC=C32)C=N1	REAL300012092645	0	44	0.0	-50.15	353.29	6.37	-43.78
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OCC(C)C)=C2)C=N1	REAL300012092646	0	52	0.0	-36.45	413.24	7.96	-28.49
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=C2C)C=N1	REAL300012092647	0	42	0.0	-50.17	348.38	7.13	-43.04
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=CC=C(F)C=C2)C=N1	REAL300012092648	0	43	0.0	-55.31	354.44	7.36	-47.95
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)N=C2)C=N1	REAL300012092649	0	38	0.0	-42.29	331.87	4.85	-37.44
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=CC(Br)=C2)C=N1	REAL300012092650	0	38	0.0	-39.01	336.26	5.02	-33.99
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3C(=C2)N=NN3C)C=N1	REAL300012092651	0	44	0.0	-46.38	364.26	4.69	-41.69
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCCCCC2)C=N1	REAL300012092652	0	48	0.0	-49.49	349.28	6.79	-42.70
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C=N1	REAL300012092653	0	50	0.0	-45.50	393.84	7.19	-38.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC)=N2)C=N1	REAL300012092654	1	42	0.0	-50.06	343.70	2.63	-47.43
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2=CC=CC=C2)C=N1	REAL300012092655	0	49	0.0	-51.79	388.23	7.11	-44.68
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C=N1	REAL300012092656	0	46	0.0	-37.63	378.52	7.41	-30.22
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C(C)C)N=C2)C=N1	REAL300012092657	0	45	0.0	-39.46	363.18	5.41	-34.05
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=C(Br)S2)C=N1	REAL300012092658	0	39	0.0	-34.93	351.78	6.68	-28.25
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=C(C)N=C3C=C2)C=N1	REAL300012092659	0	47	0.0	-40.47	382.79	7.18	-33.29
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CC=C2C(F)(F)F)C=N1	REAL300012092660	1	41	0.0	-44.05	340.69	5.08	-38.97
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC(C)=CC(C)=C3)C=C2)C=N1	REAL300012092661	0	55	0.0	-37.50	437.20	10.96	-26.54
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=NC=N3)C(C)=C2)C=N1	REAL300012092662	0	48	0.0	-43.21	394.40	9.76	-33.45
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC(F)=CC=C3O2)C=N1	REAL300012092663	0	42	0.0	-40.45	354.45	6.81	-33.64
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OCC(F)F)C=C2)C=N1	REAL300012092664	0	46	0.0	-56.13	381.35	6.53	-49.60
COCC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092665	0	46	0.0	-50.80	371.97	5.70	-45.10
CCCCOC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092666	0	52	0.0	-33.75	413.35	8.09	-25.66
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C=N1	REAL300012092667	0	50	0.0	-38.51	420.39	10.32	-28.19
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=C(C)C=C2OC(F)F)C=N1	REAL300012092668	0	49	0.0	-35.63	397.33	7.10	-28.53
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(OC)=C(OC)C=C2C)C=N1	REAL300012092669	0	50	0.0	-37.14	393.77	6.04	-31.10
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=CC(Cl)=CC=C3N2C)C=N1	REAL300012092670	1	45	0.0	-43.97	383.37	7.09	-36.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CSC=C2)C=N1	REAL300012092672	0	43	0.0	-38.54	358.87	5.06	-33.48
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)C=N1	REAL300012092673	0	49	0.0	-43.49	410.82	7.95	-35.54
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=C(CC(C)CC3)S2)C=N1	REAL300012092674	1	48	0.0	-33.43	389.50	6.57	-26.86
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCC(C(C)(C)C)CC2)C=N1	REAL300012092675	0	57	0.0	-32.42	402.11	8.25	-24.17
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2OC)C=N1	REAL300012092676	0	53	0.0	-35.75	422.67	9.00	-26.75
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CC=C3)=CC=C2OC)C=N1	REAL300012092677	0	53	0.0	-34.82	422.60	9.01	-25.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)OC(C)=C2)C=N1	REAL300012092678	0	42	0.0	-33.76	342.08	5.84	-27.92
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3=CC=NC=C3)=CC=C2OC)C=N1	REAL300012092679	0	52	0.0	-37.58	417.81	7.25	-30.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OCC3CC3)C=C2)C=N1	REAL300012092680	0	50	0.0	-36.87	403.31	8.05	-28.82
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=C(OC)C=C2Cl)C=N1	REAL300012092681	1	43	0.0	-35.43	378.49	6.54	-28.89
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(CC(C)C)S2)C=N1	REAL300012092682	0	47	0.0	-35.98	386.68	6.21	-29.77
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3=CC=CS3)S2)C=N1	REAL300012092683	0	42	0.0	-36.91	377.18	6.34	-30.57
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3=CSC=C3)S2)C=N1	REAL300012092684	0	42	0.0	-36.96	376.44	6.22	-30.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3=CC=C(C)O3)S2)C=N1	REAL300012092685	0	45	0.0	-38.41	389.99	6.18	-32.23
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Br)C=C2C)C=N1	REAL300012092686	0	42	0.0	-50.28	352.95	7.23	-43.05
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(Br)=C2)C=N1	REAL300012092687	0	39	0.0	-54.82	353.03	7.05	-47.77
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=CC=C2F)C=N1	REAL300012092688	0	46	0.0	-51.59	379.95	5.93	-45.66
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)C=N1	REAL300012092689	0	48	0.0	-36.96	393.86	7.95	-29.01
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)OC3=CC=CC=C32)C=N1	REAL300012092690	1	42	0.0	-33.86	364.28	7.18	-26.68
COCCOC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092691	0	50	0.0	-34.57	403.99	5.78	-28.79
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=C2Br)C=N1	REAL300012092692	1	39	0.0	-35.56	353.28	7.29	-28.27
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(Br)=C2OC)C=N1	REAL300012092693	0	43	0.0	-48.25	366.83	6.06	-42.19
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=C(CCC3)S2)C=N1	REAL300012092694	1	42	0.0	-37.38	350.71	5.37	-32.01
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2=CC=CS2)C=N1	REAL300012092695	0	46	0.0	-36.55	381.51	6.46	-30.09
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092696	0	43	0.0	-37.03	349.68	5.52	-31.51
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)C=N1	REAL300012092697	0	46	0.0	-36.81	386.93	8.20	-28.61
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C(C)(C)C)S2)C=N1	REAL300012092698	0	47	0.0	-35.82	387.12	6.03	-29.79
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OCCOC3=C2)C=N1	REAL300012092699	0	45	0.0	-39.20	364.78	5.40	-33.80
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(Br)=C2)C=N1	REAL300012092700	0	39	0.0	-37.24	341.57	6.85	-30.39
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(Cl)=C2)C=N1	REAL300012092701	0	39	0.0	-37.20	337.00	6.75	-30.45
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3=CC=CC=C3)N=C2)C=N1	REAL300012092702	0	46	0.0	-39.78	378.92	7.41	-32.37
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C(C)(C)C)N=C2)C=N1	REAL300012092703	0	48	0.0	-36.74	382.94	6.04	-30.70
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=CC(C)=C2)C=N1	REAL300012092704	0	45	0.0	-48.56	359.70	7.33	-41.23
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CO)O2)C=N1	REAL300012092705	1	40	0.0	-51.92	330.60	1.59	-50.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(NC(C)=O)C=C2)C=N1	REAL300012092706	0	46	0.0	-56.35	372.63	4.88	-51.47
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2Cl)C=N1	REAL300012092707	0	39	0.0	-45.21	328.77	6.49	-38.72
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC([N+](=O)[O-])=C2)C=N1	REAL300012092708	0	41	0.0	-42.28	348.39	6.90	-35.38
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C([N+](=O)[O-])C=C2)C=N1	REAL300012092709	0	41	0.0	-45.55	348.39	6.89	-38.66
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=CC=CC=C32)C=N1	REAL300012092710	0	45	0.0	-35.28	361.25	8.37	-26.91
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N(C)C)C=C2)C=N1	REAL300012092711	0	47	0.0	-35.48	371.69	6.63	-28.85
CCN(CC)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092712	0	53	0.0	-34.72	415.31	8.53	-26.19
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Br)C=C2)C=N1	REAL300012092713	0	39	0.0	-52.46	338.28	6.61	-45.85
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=C2)C=N1	REAL300012092714	0	39	0.0	-52.38	333.71	6.50	-45.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(OC)=C(OC)C(OC)=C2)C=N1	REAL300012092715	0	51	0.0	-42.44	411.99	5.32	-37.12
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=CC=C2Cl)C=N1	REAL300012092716	1	39	0.0	-43.83	335.89	6.41	-37.42
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C=C2)C=N1	REAL300012092717	0	39	0.0	-53.33	323.39	6.05	-47.28
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OC(F)F)C=N1	REAL300012092718	0	43	0.0	-36.01	358.25	5.87	-30.14
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC)=C2OC)C=N1	REAL300012092719	0	47	0.0	-47.51	375.70	5.26	-42.25
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=C2Cl)C=N1	REAL300012092720	0	39	0.0	-36.21	349.72	7.19	-29.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3CCOCC3)C=C2)C=N1	REAL300012092721	0	52	0.0	-37.25	404.16	5.05	-32.20
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(OC)=C2)C=N1	REAL300012092722	0	47	0.0	-54.55	375.65	5.18	-49.37
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(OC)=C1	REAL300012092723	0	47	0.0	-47.52	374.55	4.65	-42.87
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300012092724	0	42	0.0	-39.26	358.91	7.23	-32.03
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C=C2F)C=N1	REAL300012092725	1	39	0.0	-38.76	332.26	6.34	-32.42
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(Cl)=C2Cl)C=N1	REAL300012092726	1	39	0.0	-33.19	344.83	7.05	-26.14
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(Cl)=C2)C=N1	REAL300012092727	0	39	0.0	-54.93	348.82	6.95	-47.98
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)F)C=C2)C=N1	REAL300012092728	0	43	0.0	-53.44	356.24	5.56	-47.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C(F)(F)F)C=N1	REAL300012092729	0	42	0.0	-44.99	344.24	6.91	-38.08
CCCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092730	0	52	0.0	-51.25	411.34	7.79	-43.46
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OCCC(C)C)C=C2)C=N1	REAL300012092731	0	55	0.0	-51.17	428.90	8.31	-42.86
CCCCCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092732	0	58	0.0	-51.09	454.33	9.35	-41.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)C=N1	REAL300012092733	0	50	0.0	-36.62	409.19	9.09	-27.53
COC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092734	0	43	0.0	-36.91	349.78	5.54	-31.37
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC(C)=CC2=CC=CC=C2)C=N1	REAL300012092735	0	46	0.0	-35.84	367.54	7.97	-27.87
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1OC	REAL300012092736	0	50	0.0	-54.41	397.50	6.10	-48.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(C)C)C=C2)C=N1	REAL300012092737	0	48	0.0	-34.84	380.41	8.15	-26.69
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(F)(F)F)=C2)C=N1	REAL300012092738	0	42	0.0	-37.13	358.91	7.22	-29.91
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(OC)=C2OC)C=N1	REAL300012092739	0	51	0.0	-42.41	406.83	5.25	-37.16
CCOC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092740	0	46	0.0	-33.74	370.35	6.51	-27.23
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092741	0	46	0.0	-51.35	368.34	6.21	-45.14
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2F)C=N1	REAL300012092742	0	39	0.0	-47.32	321.39	6.06	-41.26
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2)C=N1	REAL300012092743	0	39	0.0	-38.13	326.68	6.31	-31.82
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OC)C=N1	REAL300012092744	0	43	0.0	-45.38	345.06	5.36	-40.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=CS2)C=N1	REAL300012092745	0	39	0.0	-46.14	325.13	5.66	-40.48
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Br)=CC=C2OC)C=N1	REAL300012092746	0	43	0.0	-33.76	369.78	6.21	-27.55
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C=N1	REAL300012092747	0	49	0.0	-51.56	391.20	9.40	-42.16
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C)C=N1	REAL300012092748	0	42	0.0	-46.64	331.31	6.60	-40.04
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(OC)C=CC3=CC=CC=C32)C=N1	REAL300012092749	0	49	0.0	-32.70	388.70	7.60	-25.10
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C=C2)C=N1	REAL300012092750	0	42	0.0	-35.03	341.58	6.90	-28.13
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C#N)C=C2)C=N1	REAL300012092751	0	40	0.0	-58.95	337.84	6.38	-52.57
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(SC)C=C2)C=N1	REAL300012092752	0	43	0.0	-36.86	360.39	7.25	-29.61
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C=CC=C2Cl)C=N1	REAL300012092753	1	39	0.0	-42.41	345.07	6.82	-35.59
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(OC)=C(OC)C=C2OC)C=N1	REAL300012092754	0	51	0.0	-37.28	407.17	4.79	-32.49
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C)=C2)C=N1	REAL300012092755	0	42	0.0	-34.86	341.58	6.89	-27.97
CCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092756	0	45	0.0	-48.75	359.87	7.42	-41.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=C(C)C=C2C)C=N1	REAL300012092757	0	48	0.0	-32.83	374.83	7.93	-24.90
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=CC=C2F)C=N1	REAL300012092758	1	39	0.0	-45.37	327.60	6.04	-39.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(F)=C2)C=N1	REAL300012092759	0	39	0.0	-57.53	329.61	6.10	-51.43
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)C=N1	REAL300012092760	0	53	0.0	-38.09	431.54	9.52	-28.57
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)S2)C=N1	REAL300012092761	0	39	0.0	-33.17	332.38	6.14	-27.03
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2Br)C=N1	REAL300012092762	1	39	0.0	-44.53	332.37	6.59	-37.94
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(O)=C2)C=N1	REAL300012092763	0	44	0.0	-53.86	357.16	3.12	-50.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N(C)N=C2C)C=N1	REAL300012092764	0	45	0.0	-38.66	360.74	4.94	-33.72
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)N(C)N=C2C)C=N1	REAL300012092765	1	42	0.0	-35.15	358.44	4.89	-30.26
CCC1=NN(C)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092766	0	45	0.0	-51.97	360.44	5.09	-46.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CC(F)(F)F)N=C2)C=N1	REAL300012092767	0	42	0.0	-41.29	362.31	5.37	-35.92
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C(C)(C)C)C=N1	REAL300012092768	0	51	0.0	-47.84	385.87	6.20	-41.64
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)O2)C=N1	REAL300012092769	1	36	0.0	-35.66	318.09	5.00	-30.66
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N(C)CCC#N)C=C2)C=N1	REAL300012092770	0	51	0.0	-54.46	411.16	7.84	-46.62
CCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1OC	REAL300012092771	0	50	0.0	-34.86	395.43	6.54	-28.32
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(OCC(N)=O)=C2)C=N1	REAL300012092772	0	51	0.0	-49.70	417.49	3.37	-46.33
C#CCOC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092773	0	45	0.0	-35.86	376.13	7.07	-28.79
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)ON=C2C)C=N1	REAL300012092774	1	41	0.0	-53.29	334.16	4.80	-48.49
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(OC)=C3OCOC3=C2)C=N1	REAL300012092776	0	46	0.0	-41.67	375.86	4.18	-37.49
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=C(C=C2OC)CC(C)O3)C=N1	REAL300012092778	0	51	0.0	-46.97	401.78	5.93	-41.04
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(C)=C2)C=N1	REAL300012092780	0	46	0.0	-51.29	366.48	6.03	-45.26
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C(C)(C)C)C=N1	REAL300012092781	0	48	0.0	-50.06	365.16	4.73	-45.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(OC)C=CC=C2OC)C=N1	REAL300012092782	1	47	0.0	-31.23	376.60	4.97	-26.26
COC1=CC=C(F)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092783	1	43	0.0	-47.44	350.46	5.31	-42.13
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(SC)S2)C=N1	REAL300012092784	0	40	0.0	-49.50	350.40	6.33	-43.17
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C2=CC=CC=C2C)C=N1	REAL300012092785	0	52	0.0	-33.43	410.03	10.04	-23.39
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OCO3)C=N1	REAL300012092786	0	42	0.0	-49.17	342.55	4.62	-44.55
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C=CS2)C=N1	REAL300012092787	0	36	0.0	-45.09	322.39	5.55	-39.54
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C=N1	REAL300012092788	0	45	0.0	-59.99	377.68	3.51	-56.48
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C=N1	REAL300012092789	0	49	0.0	-37.90	411.12	10.16	-27.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC=C2OC)C=N1	REAL300012092790	0	43	0.0	-34.47	354.89	5.66	-28.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(N)=O)C=C2)C=N1	REAL300012092791	0	43	0.0	-59.59	351.53	2.77	-56.82
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(OC)=C2)C=N1	REAL300012092792	0	43	0.0	-56.64	352.63	5.35	-51.29
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC=C2OC)C=N1	REAL300012092793	0	43	0.0	-33.84	365.22	6.10	-27.74
COC(=O)C1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CN1C	REAL300012092794	0	46	0.0	-44.58	379.51	6.39	-38.19
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C(Cl)=C2)C=N1	REAL300012092795	0	42	0.0	-51.26	352.36	7.09	-44.17
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C(OC)=C2)C=N1	REAL300012092796	0	46	0.0	-50.95	366.48	6.03	-44.92
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C)=C2F)C=N1	REAL300012092797	0	42	0.0	-36.50	346.17	6.91	-29.59
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C#N)C=C2F)C=N1	REAL300012092798	1	40	0.0	-43.02	346.67	6.66	-36.36
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)NN=C2C)C=N1	REAL300012092799	0	42	0.0	-36.10	340.52	3.75	-32.35
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C=N1	REAL300012092800	0	52	0.0	-38.95	424.31	7.83	-31.12
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Br)C=N2)C=N1	REAL300012092801	1	38	0.0	-39.20	336.45	4.99	-34.21
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(N3CCOCC3)S2)C=N1	REAL300012092802	0	48	0.0	-37.80	393.96	3.56	-34.24
C#CCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092803	0	48	0.0	-52.23	395.62	7.53	-44.70
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN3C=CC=CC3=N2)C=N1	REAL300012092804	1	42	0.0	-41.97	347.13	6.73	-35.24
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C3C(=C2)C(C)=NN3C)C=N1	REAL300012092805	0	47	0.0	-59.88	383.16	5.74	-54.14
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C=N1	REAL300012092808	1	42	0.0	-35.57	363.97	7.26	-28.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C)C=N1	REAL300012092809	0	42	0.0	-52.08	339.32	4.38	-47.70
CCOCC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CC=C1OC	REAL300012092810	0	53	0.0	-34.89	423.87	6.45	-28.44
CCN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=N1	REAL300012092811	0	42	0.0	-37.73	344.44	4.87	-32.86
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(N)=O)=C2)C=N1	REAL300012092812	0	43	0.0	-44.42	354.82	3.01	-41.41
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CN2CC(F)(F)F)C=N1	REAL300012092813	1	42	0.0	-38.43	353.07	5.97	-32.46
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCCCCCC2)C=N1	REAL300012092814	0	51	0.0	-34.12	363.05	7.43	-26.69
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC(C)=CS2)C=N1	REAL300012092815	1	38	0.0	-47.44	323.12	3.71	-43.73
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC)=C2F)C=N1	REAL300012092816	0	43	0.0	-40.27	355.16	5.58	-34.69
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=CC=C2Br)C=N1	REAL300012092817	1	39	0.0	-43.28	339.92	6.50	-36.78
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3CCCC3=C2)C=N1	REAL300012092818	0	46	0.0	-34.54	365.82	8.15	-26.39
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC=C2Br)C=N1	REAL300012092819	1	36	0.0	-45.24	325.20	5.52	-39.72
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OCC(C)C)C=N1	REAL300012092820	0	52	0.0	-32.56	408.35	7.90	-24.66
CCN1N=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092821	0	42	0.0	-50.25	334.54	4.52	-45.73
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=C(CCCC3)S2)C=N1	REAL300012092822	1	45	0.0	-36.56	368.61	5.95	-30.61
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC(Br)=C2)C=N1	REAL300012092823	0	39	0.0	-53.78	344.69	6.67	-47.11
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=NC=C3C=C2)C=N1	REAL300012092824	0	44	0.0	-40.74	361.09	6.68	-34.06
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2Br)C=N1	REAL300012092825	1	39	0.0	-33.43	337.26	6.69	-26.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N=CS2)C=N1	REAL300012092826	0	38	0.0	-49.61	320.35	3.74	-45.87
COC1=CC(F)=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092827	0	43	0.0	-37.70	356.21	5.61	-32.09
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(Br)=C2F)C=N1	REAL300012092828	0	39	0.0	-34.72	345.05	6.90	-27.82
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C(C)(C)C)N=C2)C=N1	REAL300012092829	0	49	0.0	-40.16	391.80	6.19	-33.97
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)SC=C2)C=N1	REAL300012092830	0	39	0.0	-47.74	324.07	5.72	-42.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(S(C)=O)C=C2)C=N1	REAL300012092831	0	44	0.0	-44.82	372.40	4.82	-40.00
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3CCCCC3=C2)C=N1	REAL300012092832	0	49	0.0	-34.91	382.88	8.71	-26.20
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C#N)=N2)C=N1	REAL300012092833	1	39	0.0	-47.11	336.10	4.69	-42.42
COC(=O)C1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CN1	REAL300012092834	0	43	0.0	-39.81	361.83	4.66	-35.15
COCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)O1	REAL300012092835	1	43	0.0	-50.97	352.85	3.99	-46.98
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(OC)=C2C)C=N1	REAL300012092836	0	50	0.0	-38.80	394.77	6.06	-32.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(Cl)=C2Cl)C=N1	REAL300012092837	1	36	0.0	-37.56	341.30	6.24	-31.32
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)N=C2C)C=N1	REAL300012092838	0	41	0.0	-55.54	332.81	4.72	-50.82
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C=C2OC)C=N1	REAL300012092839	0	46	0.0	-45.25	366.50	6.03	-39.22
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(C)=C2)C=N1	REAL300012092840	0	39	0.0	-35.00	332.02	5.96	-29.04
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)N=N2)C=N1	REAL300012092841	1	40	0.0	-37.45	331.60	3.91	-33.54
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C(F)(F)F)S2)C=N1	REAL300012092842	1	38	0.0	-40.14	346.35	4.66	-35.48
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(S(C)(=O)=O)=C2)C=N1	REAL300012092843	0	45	0.0	-43.82	380.87	3.74	-40.08
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CS2)C=N1	REAL300012092844	0	36	0.0	-35.50	327.38	5.86	-29.64
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3CCCC3)C=C2)C=N1	REAL300012092845	0	52	0.0	-34.74	404.35	9.44	-25.30
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=NN2C)C=N1	REAL300012092846	0	42	0.0	-36.84	341.20	4.42	-32.42
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=CC(Cl)=C2)C=N1	REAL300012092847	0	42	0.0	-51.21	355.02	7.17	-44.04
COCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092848	0	46	0.0	-51.17	372.05	5.71	-45.46
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CN2C2=CC=CC=C2)C=N1	REAL300012092849	1	46	0.0	-45.70	372.52	7.74	-37.96
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3CC3)C=C2)C=N1	REAL300012092850	0	46	0.0	-35.33	369.30	8.31	-27.02
C=CN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=N1	REAL300012092852	0	40	0.0	-41.63	334.76	5.22	-36.41
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2CCCC2)C=N1	REAL300012092853	0	49	0.0	-52.03	382.69	6.47	-45.56
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3C=C2OC)C=N1	REAL300012092854	0	49	0.0	-35.83	394.24	7.86	-27.97
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(F)F)C=C2)C=N1	REAL300012092855	0	42	0.0	-53.88	351.15	6.91	-46.97
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=C(OC)N=C2C)C=N1	REAL300012092856	0	48	0.0	-37.37	377.23	3.79	-33.58
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C=CC=C2OC)C=N1	REAL300012092857	1	43	0.0	-31.89	362.30	5.98	-25.91
CCC1=CC(OC)=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092858	0	49	0.0	-35.25	383.17	6.82	-28.43
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C)N2C2=CC=CC=C2)C=N1	REAL300012092859	0	49	0.0	-47.76	395.56	8.25	-39.51
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N(C)N=C2)C=N1	REAL300012092860	0	42	0.0	-35.69	339.84	4.49	-31.20
CCCN1N=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1C	REAL300012092861	0	51	0.0	-35.67	405.24	6.61	-29.06
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3CC3)N=C2)C=N1	REAL300012092862	0	44	0.0	-40.65	362.17	5.89	-34.76
COCCN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=N1	REAL300012092863	0	46	0.0	-38.57	378.11	3.92	-34.65
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3CCC3)C=C2)C=N1	REAL300012092864	0	49	0.0	-34.82	385.94	8.81	-26.01
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3C(OC)=C2)C=N1	REAL300012092865	0	49	0.0	-52.67	391.00	7.58	-45.09
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1F	REAL300012092866	0	46	0.0	-55.75	374.48	6.28	-49.47
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C(OC)C=CC=C23)C=N1	REAL300012092867	0	49	0.0	-36.89	389.59	7.73	-29.16
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C#N)=CS2)C=N1	REAL300012092868	0	37	0.0	-56.98	327.80	5.49	-51.49
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C#N)C(OC)=C2)C=N1	REAL300012092869	0	44	0.0	-62.27	366.61	5.69	-56.58
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2=CC=CC=C2C)C=N1	REAL300012092870	0	49	0.0	-34.34	393.90	8.09	-26.25
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C#N)C(C)=C2)C=N1	REAL300012092872	0	43	0.0	-59.08	356.90	6.88	-52.20
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C=N1	REAL300012092873	1	46	0.0	-39.31	384.23	4.53	-34.78
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(Br)=C1	REAL300012092874	1	43	0.0	-36.09	366.03	6.07	-30.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=C(C)S2)C=N1	REAL300012092875	1	38	0.0	-47.07	323.23	3.91	-43.16
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CC(C)C)N=C2)C=N1	REAL300012092876	0	48	0.0	-39.51	381.38	6.47	-33.04
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C2CC2)C=N1	REAL300012092877	0	46	0.0	-32.68	361.03	8.09	-24.59
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Br)C=C(C)S2)C=N1	REAL300012092878	0	39	0.0	-32.77	351.84	6.68	-26.09
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(=O)OC(C)(C)C)=C2)C=N1	REAL300012092879	0	54	0.0	-41.41	429.97	8.94	-32.47
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C=CC=C2SC(C)C)C=N1	REAL300012092880	1	49	0.0	-29.78	409.80	8.96	-20.82
CCC1=CN=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)S1	REAL300012092881	1	41	0.0	-46.90	344.71	4.69	-42.21
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3C(=C2)CCC(=O)N3C)C=N1	REAL300012092882	0	50	0.0	-42.37	396.87	7.14	-35.23
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=CC=C2OC(F)F)C=N1	REAL300012092883	0	46	0.0	-48.45	375.93	6.27	-42.18
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)C=N1	REAL300012092884	0	45	0.0	-40.46	389.81	7.51	-32.95
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)C=N1	REAL300012092885	0	50	0.0	-34.03	418.75	8.61	-25.42
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C(C)C)N=C2C)C=N1	REAL300012092886	0	48	0.0	-37.51	382.93	6.01	-31.50
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3CCCC3)S2)C=N1	REAL300012092887	0	48	0.0	-35.89	392.19	6.88	-29.01
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3CC3)S2)C=N1	REAL300012092888	0	42	0.0	-36.29	358.19	5.88	-30.41
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C(C)C)S2)C=N1	REAL300012092889	0	44	0.0	-35.89	369.25	5.56	-30.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3=CC=CO3)S2)C=N1	REAL300012092890	0	42	0.0	-38.65	368.08	5.35	-33.30
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Br)C(Cl)=C2)C=N1	REAL300012092891	0	39	0.0	-54.92	353.03	7.05	-47.87
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)C=N1	REAL300012092892	0	51	0.0	-37.55	429.87	8.76	-28.79
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CN(C)N=C3)C=C2)C=N1	REAL300012092893	0	49	0.0	-40.54	400.40	7.54	-33.00
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CC(F)F)N=C2)C=N1	REAL300012092894	0	42	0.0	-41.11	356.29	5.20	-35.91
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C=N1	REAL300012092895	0	50	0.0	-39.35	415.22	9.18	-30.17
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2=CC=C(F)C=C2)C=N1	REAL300012092896	0	49	0.0	-54.03	399.44	7.37	-46.66
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2=CC=C(C#N)C=C2)C=N1	REAL300012092897	0	50	0.0	-57.96	413.83	7.70	-50.26
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(=O)N(C)C)N2)C=N1	REAL300012092898	0	47	0.0	-43.32	376.95	4.44	-38.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C(N)=O)=CS2)C=N1	REAL300012092899	0	40	0.0	-43.36	346.61	2.11	-41.25
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N(C)C3=CC=CC=C3)N=C2)C=N1	REAL300012092900	0	53	0.0	-39.98	428.54	8.66	-31.32
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092901	0	51	0.0	-35.09	404.91	6.43	-28.66
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3CCC3)S2)C=N1	REAL300012092902	0	45	0.0	-49.65	371.54	6.11	-43.54
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3CCCO3)S2)C=N1	REAL300012092903	0	46	0.0	-39.14	384.34	4.46	-34.68
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Br)=NN2C)C=N1	REAL300012092905	0	39	0.0	-40.21	339.30	4.19	-36.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CN(C)N=C3)S2)C=N1	REAL300012092906	0	46	0.0	-38.37	394.23	6.93	-31.44
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OCCCCOC3=C2)C=N1	REAL300012092907	0	51	0.0	-41.00	399.23	7.11	-33.89
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092908	0	46	0.0	-33.84	380.08	7.17	-26.67
CCC1=CC=CC(F)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092909	0	45	0.0	-33.70	359.04	7.56	-26.14
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(Cl)=C2Cl)C=N1	REAL300012092910	1	39	0.0	-35.78	350.77	7.10	-28.68
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C(F)F)C=C2)C=N1	REAL300012092911	1	39	0.0	-36.96	336.32	4.11	-32.85
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2=CC=CC=C2OC)C=N1	REAL300012092912	0	50	0.0	-36.75	405.72	6.62	-30.13
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)C=N1	REAL300012092913	1	43	0.0	-32.73	370.06	6.09	-26.64
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)C=N1	REAL300012092914	0	46	0.0	-51.67	379.18	6.94	-44.73
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C=C2C2=CN(C)N=C2)C=N1	REAL300012092915	0	52	0.0	-37.44	414.20	8.06	-29.38
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C=C2C2=CC=NN2C)C=N1	REAL300012092916	0	52	0.0	-39.03	416.21	7.77	-31.26
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=C(C(C)C)S2)C=N1	REAL300012092917	1	44	0.0	-46.68	364.67	5.27	-41.41
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=C(C(C)(C)C)S2)C=N1	REAL300012092918	1	47	0.0	-46.51	382.87	5.77	-40.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C3CC3)N=CS2)C=N1	REAL300012092919	0	42	0.0	-35.94	355.55	5.63	-30.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)C=N1	REAL300012092920	0	45	0.0	-45.99	375.34	9.63	-36.36
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092921	0	49	0.0	-56.23	394.93	6.51	-49.72
COCCCN1N=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092922	0	49	0.0	-37.85	392.07	4.54	-33.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=C(C)C=C2Cl)C=N1	REAL300012092923	1	42	0.0	-31.22	361.05	7.35	-23.87
COCCOCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092924	0	53	0.0	-38.98	430.72	6.18	-32.80
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC=C2C(F)(F)F)C=N1	REAL300012092926	0	39	0.0	-45.00	336.47	5.94	-39.06
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C3=CC=CC(Cl)=C3S2)C=N1	REAL300012092927	0	45	0.0	-34.44	390.65	8.79	-25.65
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3CC3)=C2)C=N1	REAL300012092929	0	46	0.0	-49.11	366.20	8.09	-41.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=NN2C)C=N1	REAL300012092930	0	42	0.0	-38.45	342.85	4.40	-34.05
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C#N)C(F)=C2)C=N1	REAL300012092931	0	40	0.0	-44.69	346.91	6.65	-38.04
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C=N1	REAL300012092932	0	42	0.0	-59.27	356.49	5.11	-54.16
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=C(C)C=C2F)C=N1	REAL300012092933	1	42	0.0	-32.92	352.11	6.92	-26.00
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2=CC=C(C)O2)C=N1	REAL300012092934	0	49	0.0	-37.46	400.64	6.55	-30.91
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2CC(C)C)C=N1	REAL300012092935	0	48	0.0	-49.08	374.40	6.08	-43.00
COC(=O)C1=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CN1	REAL300012092936	0	46	0.0	-55.23	374.47	5.02	-50.21
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3=CC=C(C)C(C)=C3)S2)C=N1	REAL300012092937	0	51	0.0	-37.31	424.38	8.50	-28.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3=CC=CC=C3F)N=C2C)C=N1	REAL300012092938	0	49	0.0	-57.58	399.37	7.92	-49.66
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3=CC=C(C)C=C3)N=C2C)C=N1	REAL300012092939	0	52	0.0	-53.50	416.68	8.48	-45.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(C)(C)C#N)C=C2)C=N1	REAL300012092940	0	49	0.0	-39.07	396.82	8.18	-30.89
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C(C)C)C=N1	REAL300012092941	0	48	0.0	-32.63	374.26	8.03	-24.60
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN3CCCCC3=C2)C=N1	REAL300012092942	1	46	0.0	-37.79	364.75	5.55	-32.24
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=NN2C2=CC=CC=C2)C=N1	REAL300012092943	1	45	0.0	-39.07	370.38	5.88	-33.19
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CN=CC=C3O2)C=N1	REAL300012092944	0	41	0.0	-42.07	342.77	5.01	-37.06
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=C(OC)C=C2OC)C=N1	REAL300012092945	1	47	0.0	-36.93	384.15	4.97	-31.96
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(OC)=C(OC)C=C2F)C=N1	REAL300012092946	1	47	0.0	-36.16	383.22	5.49	-30.67
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C=C2Cl)C=N1	REAL300012092947	0	42	0.0	-34.55	354.40	7.35	-27.20
CCC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092948	0	45	0.0	-48.60	359.79	7.41	-41.19
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3=CC=CC(C)=C3)N=C2C)C=N1	REAL300012092949	0	52	0.0	-53.99	416.44	8.43	-45.56
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(F)=C1	REAL300012092950	0	43	0.0	-38.75	355.35	5.56	-33.19
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2CCC3)C=N1	REAL300012092951	0	46	0.0	-34.04	364.35	8.05	-25.99
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=CC=C2OC)C=N1	REAL300012092952	1	43	0.0	-33.35	353.56	5.60	-27.75
CCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(C)=C1	REAL300012092953	0	52	0.0	-49.07	404.49	7.64	-41.43
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=NC=C3S2)C=N1	REAL300012092954	0	41	0.0	-37.82	352.40	5.99	-31.83
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3CCCN3N=C2)C=N1	REAL300012092955	0	43	0.0	-40.48	346.63	4.82	-35.66
CCC1=C2OC(C[NH2+]C(CC(=O)[O-])C3=CC=C(OC)N=C3)=CC2=CC=C1	REAL300012092956	0	48	0.0	-39.67	390.93	8.16	-31.51
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2CC2CC2)C=N1	REAL300012092958	0	46	0.0	-46.89	361.10	5.85	-41.04
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC3CC3)=C2F)C=N1	REAL300012092959	0	47	0.0	-41.88	385.62	7.25	-34.63
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(C)=C1	REAL300012092960	0	49	0.0	-35.24	386.41	7.08	-28.16
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2OC(F)F)C=N1	REAL300012092961	0	43	0.0	-50.73	361.28	5.71	-45.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC=C2OC(F)F)C=N1	REAL300012092962	1	43	0.0	-50.70	360.92	5.68	-45.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CN=C2OC)C=N1	REAL300012092963	1	42	0.0	-48.10	342.72	2.77	-45.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3CCCC3)=C2)C=N1	REAL300012092964	0	52	0.0	-34.54	404.41	9.43	-25.11
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2=CN(C)N=C2)C=N1	REAL300012092965	0	49	0.0	-42.15	396.67	5.28	-36.87
COCC1=CSC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092966	0	43	0.0	-49.24	362.05	4.80	-44.44
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(C(F)(F)F)=C2)C=N1	REAL300012092968	0	39	0.0	-40.32	350.78	6.36	-33.96
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(F)(F)F)O2)C=N1	REAL300012092969	1	39	0.0	-41.35	342.08	5.58	-35.77
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C(F)(F)F)SC=C2)C=N1	REAL300012092970	0	39	0.0	-46.92	338.85	6.12	-40.80
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(F)=C2N(C)C)C=N1	REAL300012092971	0	47	0.0	-38.75	380.42	6.25	-32.50
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC3CCOC3)C=C2)C=N1	REAL300012092973	0	51	0.0	-38.37	405.57	5.86	-32.51
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=C(N(C)C)C=C2F)C=N1	REAL300012092974	0	47	0.0	-35.52	385.46	5.83	-29.69
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012092975	0	53	0.0	-39.41	421.95	7.95	-31.46
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(F)=C2F)C=N1	REAL300012092976	1	39	0.0	-38.77	337.18	6.42	-32.35
COC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CC(C(F)(F)F)=C1	REAL300012092977	0	46	0.0	-53.64	385.11	6.30	-47.34
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(OC3CC3)=C2)C=N1	REAL300012092978	0	51	0.0	-40.59	409.55	7.11	-33.48
CCCN1N=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012092979	0	45	0.0	-36.44	358.41	5.47	-30.97
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C(F)(F)F)=NN2C)C=N1	REAL300012092980	0	42	0.0	-42.21	362.28	4.80	-37.41
COCC(C)OC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012092981	0	53	0.0	-53.05	418.87	6.23	-46.82
CCCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)S1	REAL300012092982	0	45	0.0	-35.08	375.25	7.68	-27.40
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C=N1	REAL300012092983	0	46	0.0	-37.21	387.64	8.86	-28.35
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2CCC2=CC=CC=C2)C=N1	REAL300012092984	0	52	0.0	-50.66	413.10	8.21	-42.45
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(C)C)=C2)C=N1	REAL300012092985	0	48	0.0	-34.62	380.40	8.14	-26.48
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2Cl)C=N1	REAL300012092986	1	39	0.0	-51.38	335.98	4.18	-47.20
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(C(C)(C)C)=C2)C=N1	REAL300012092987	0	55	0.0	-35.95	420.83	8.20	-27.75
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(CC3CCC3)=C2)C=N1	REAL300012092988	0	52	0.0	-34.21	411.33	9.75	-24.46
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=C(Br)C=N2)C=N1	REAL300012092989	1	41	0.0	-49.92	351.34	5.33	-44.59
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=C(F)C=C2Br)C=N1	REAL300012092990	1	42	0.0	-32.74	358.32	7.34	-25.40
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(O)C=CC=C2Br)C=N1	REAL300012092991	0	40	0.0	-34.78	347.85	3.91	-30.87
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(C3=CN(C)N=C3)=N2)C=N1	REAL300012092992	1	45	0.0	-42.67	389.66	4.81	-37.86
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(OC)=C2)C=N1	REAL300012092993	0	43	0.0	-54.90	362.43	5.83	-49.07
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2CC2CCC2)C=N1	REAL300012092994	0	49	0.0	-52.10	387.57	6.52	-45.58
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2CC(F)(F)F)C=N1	REAL300012092996	0	45	0.0	-33.77	369.49	7.80	-25.97
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2Br)C=N1	REAL300012092997	1	39	0.0	-50.64	340.04	4.26	-46.38
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C=C2F)C=N1	REAL300012092998	0	42	0.0	-36.36	347.26	6.95	-29.41
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(NC(C)=O)=C2)C=N1	REAL300012092999	0	46	0.0	-41.24	376.30	5.14	-36.10
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C3C(=C2)C=NN3C)C=N1	REAL300012093000	0	44	0.0	-59.48	361.19	5.14	-54.34
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(OC)=C(OC)C=C2Cl)C=N1	REAL300012093002	1	47	0.0	-34.84	388.33	5.79	-29.05
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C=N1	REAL300012093003	0	45	0.0	-52.29	377.97	7.77	-44.52
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3CCCCC3=NN2C)C=N1	REAL300012093004	0	49	0.0	-52.15	380.72	5.97	-46.18
CCOC(=O)C1=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C(C)N1	REAL300012093005	0	52	0.0	-37.07	420.42	6.61	-30.46
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(C)=C2C)C=N1	REAL300012093006	0	42	0.0	-47.22	343.04	6.31	-40.91
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(Cl)C(F)=C2)C=N1	REAL300012093007	0	38	0.0	-43.07	337.77	4.91	-38.16
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C=N1	REAL300012093008	0	49	0.0	-53.83	409.92	9.95	-43.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Br)SC=C2)C=N1	REAL300012093009	1	36	0.0	-45.14	324.46	5.63	-39.51
CCOC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C(F)C=C1OC	REAL300012093010	1	50	0.0	-35.93	405.08	6.41	-29.52
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Br)=CN=C2OC)C=N1	REAL300012093011	1	42	0.0	-35.74	367.47	3.61	-32.13
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C3=CC=CC=C23)C=N1	REAL300012093012	0	45	0.0	-38.26	366.66	8.36	-29.90
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CN=C2Br)C=N1	REAL300012093013	1	38	0.0	-48.90	327.45	4.70	-44.20
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(Br)=C2Cl)C=N1	REAL300012093014	0	39	0.0	-33.20	349.03	7.15	-26.05
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)C=N1	REAL300012093015	1	43	0.0	-50.86	367.90	5.93	-44.93
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC=C2OC(C)C)C=N1	REAL300012093016	0	49	0.0	-34.10	394.30	7.19	-26.91
CCOC1=CC(F)=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012093017	0	46	0.0	-52.35	374.75	6.29	-46.06
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)C=N1	REAL300012093018	0	53	0.0	-46.80	416.53	7.25	-39.55
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)F)C=C2F)C=N1	REAL300012093019	0	43	0.0	-41.35	365.10	5.84	-35.51
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C=N1	REAL300012093020	0	52	0.0	-36.80	400.99	7.41	-29.39
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(Cl)=C2C)C=N1	REAL300012093021	0	42	0.0	-49.10	345.35	7.03	-42.07
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(OC)=C(C)C=C2F)C=N1	REAL300012093022	0	46	0.0	-33.45	374.11	6.34	-27.11
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C(Br)=C2C)C=N1	REAL300012093023	0	45	0.0	-35.62	371.34	7.95	-27.67
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC(C(C)(C)C)=CS2)C=N1	REAL300012093025	1	47	0.0	-33.50	385.74	5.94	-27.56
COCCC1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)S1	REAL300012093026	0	45	0.0	-37.62	382.14	4.03	-33.59
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Br)=CC(F)=C2O)C=N1	REAL300012093027	1	40	0.0	-39.17	357.52	4.13	-35.04
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC(F)=C2O)C=N1	REAL300012093028	1	40	0.0	-39.89	342.62	3.58	-36.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3CSCCC3=NN2C)C=N1	REAL300012093029	0	47	0.0	-54.03	380.94	5.63	-48.40
CCN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(C2=CC=CC=C2)=N1	REAL300012093030	0	52	0.0	-38.00	415.31	8.32	-29.68
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2CCOC3)C=N1	REAL300012093031	0	47	0.0	-35.65	367.09	6.20	-29.45
COCC1=C(C)C=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1C	REAL300012093032	0	55	0.0	-33.90	417.73	7.25	-26.65
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OC(=O)OC3=C2)C=N1	REAL300012093033	0	41	0.0	-63.62	344.64	6.56	-57.06
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Br)=C(C)S2)C=N1	REAL300012093034	0	39	0.0	-35.03	352.86	6.74	-28.29
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C=N1	REAL300012093035	0	49	0.0	-37.41	411.22	10.16	-27.25
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=NC=CC=C23)C=N1	REAL300012093036	0	44	0.0	-38.55	356.35	6.49	-32.06
CCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1C	REAL300012093037	0	52	0.0	-36.95	413.09	7.99	-28.96
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=NC=CN=C3C=C2)C=N1	REAL300012093038	0	43	0.0	-40.78	356.32	4.66	-36.12
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(CN3C=CC=N3)=C2)C=N1	REAL300012093039	0	53	0.0	-54.36	429.20	6.97	-47.39
CCOC1=CC=CC(F)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012093040	1	46	0.0	-32.75	375.41	6.52	-26.23
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=CC(Br)=C2F)C=N1	REAL300012093041	0	42	0.0	-32.91	362.30	7.38	-25.53
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)C=N1	REAL300012093042	0	44	0.0	-45.55	357.93	7.29	-38.26
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=CC([N+](=O)[O-])=C2C)C=N1	REAL300012093043	0	47	0.0	-38.16	374.94	7.68	-30.48
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(OC)=C2F)C=N1	REAL300012093045	1	47	0.0	-42.56	388.33	5.58	-36.98
COC(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(F)=C1	REAL300012093046	1	45	0.0	-43.62	380.62	6.93	-36.69
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)C=N1	REAL300012093047	0	49	0.0	-40.63	406.32	6.63	-34.00
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)C=N1	REAL300012093048	0	53	0.0	-52.53	428.17	9.26	-43.27
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OCC(F)F)C=N1	REAL300012093049	0	46	0.0	-38.79	383.37	6.83	-31.96
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C=N2)C=N1	REAL300012093050	1	38	0.0	-39.20	331.88	4.89	-34.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N(C3=CC=CC=C3C)N=C2C)C=N1	REAL300012093051	0	55	0.0	-36.93	433.40	9.13	-27.80
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=C(C#N)C=C2C)C=N1	REAL300012093052	0	46	0.0	-38.94	374.19	7.64	-31.30
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CCF)N=C2)C=N1	REAL300012093053	0	42	0.0	-38.67	351.03	5.01	-33.66
CCCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012093055	0	48	0.0	-34.80	384.56	8.44	-26.36
COC1=CC=C(C2=NC(C[NH2+]C(CC(=O)[O-])C3=CC=C(OC)N=C3)=CS2)C=C1	REAL300012093056	1	49	0.0	-50.02	410.82	6.08	-43.94
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=C(C)NN=C3N=C2)C=N1	REAL300012093058	0	44	0.0	-63.73	359.95	4.52	-59.21
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C=N1	REAL300012093059	0	47	0.0	-44.59	393.36	2.96	-41.63
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C)C3=CC=CC=C23)C=N1	REAL300012093060	1	45	0.0	-35.91	370.10	6.13	-29.78
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3C=CC=CC3=NN2)C=N1	REAL300012093061	0	42	0.0	-40.56	347.16	4.86	-35.70
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)N=C(Cl)N2C)C=N1	REAL300012093062	1	39	0.0	-36.02	353.74	5.53	-30.49
CCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)S1	REAL300012093063	0	42	0.0	-47.33	350.12	6.66	-40.67
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CC3=CC=CC=C32)C=N1	REAL300012093064	0	44	0.0	-36.40	356.22	6.42	-29.98
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N=C3C=CC=CN32)C=N1	REAL300012093065	0	45	0.0	-38.00	364.78	7.09	-30.91
COC1=CC=C(C(CC(=O)[O-])NCC(C)(C)C[N@H+](C)CC2=CC=CC=C2)C=N1	REAL300012093066	0	59	0.0	-63.57	434.52	8.88	-54.69
COC1=CC=C(C(CC(=O)[O-])NCC(C)(C)C[N@@H+](C)CC2=CC=CC=C2)C=N1	REAL300012093066	1	59	0.0	-63.10	439.48	9.01	-54.09
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC(C)(C)CN(C)CC2=CC=CC=C2)C=N1	REAL300012093066	1	59	0.0	-34.57	441.80	8.49	-26.08
CCC1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)S1	REAL300012093067	0	41	0.0	-36.27	348.45	4.96	-31.31
COC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)SC=C1	REAL300012093068	0	40	0.0	-32.95	340.39	4.65	-28.30
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C=N1	REAL300012093069	0	45	0.0	-42.12	376.46	4.47	-37.65
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC=C2Cl)C=N1	REAL300012093070	1	36	0.0	-46.03	321.56	5.41	-40.62
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N=C3SC(C)=NN32)C=N1	REAL300012093071	0	44	0.0	-50.83	371.23	5.18	-45.65
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C(C)C)N=C3SC(C)=NN32)C=N1	REAL300012093072	0	50	0.0	-49.66	412.87	6.44	-43.22
CCCC(C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1)C1=CC=CC=C1	REAL300012093073	0	51	0.0	-35.45	397.49	8.96	-26.49
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C=N1	REAL300012093074	0	44	0.0	-32.43	373.88	7.15	-25.28
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CC3CCC2C3)C=N1	REAL300012093075	0	46	0.0	-33.84	345.07	6.88	-26.96
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)N=C2)C=N1	REAL300012093076	0	38	0.0	-43.44	321.42	4.37	-39.07
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(F)(F)F)S2)C=N1	REAL300012093077	0	39	0.0	-36.89	351.13	6.55	-30.34
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2(C(F)F)CC2)C=N1	REAL300012093078	0	39	0.0	-43.78	316.62	5.63	-38.15
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N(C)C)C=C2C(F)(F)F)C=N1	REAL300012093079	0	50	0.0	-45.61	395.70	7.34	-38.27
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC(C)=CC2=CC=CC=C2C(F)(F)F)C=N1	REAL300012093080	0	49	0.0	-38.38	401.30	8.85	-29.53
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=C(C)N2C)C=N1	REAL300012093081	1	42	0.0	-49.95	336.84	4.83	-45.12
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCC(C(C)C)CC2)C=N1	REAL300012093082	0	54	0.0	-32.67	388.98	7.95	-24.72
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)N=C3C=C(Cl)C=CN32)C=N1	REAL300012093083	1	42	0.0	-53.77	376.89	7.34	-46.43
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC(C)=CC2=CC=CC=C2OC(F)F)C=N1	REAL300012093084	0	50	0.0	-38.66	406.85	7.61	-31.05
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012093085	0	53	0.0	-37.92	418.09	7.83	-30.09
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C2=CC=NN2C)C=N1	REAL300012093086	0	49	0.0	-39.41	392.40	7.02	-32.39
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CON=C2CC2=CC=CC=C2)C=N1	REAL300012093087	1	48	0.0	-36.25	377.49	7.26	-28.99
CCC1=NOC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012093088	1	41	0.0	-54.28	334.24	4.77	-49.51
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)N(C)N=C2)C=N1	REAL300012093089	1	39	0.0	-48.39	335.15	4.10	-44.29
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CN=C3O2)C=N1	REAL300012093090	0	41	0.0	-45.24	342.80	3.69	-41.55
COC1=CC=C(N2C=C(C[NH2+]C(CC(=O)[O-])C3=CC=C(OC)N=C3)C=N2)C=C1	REAL300012093091	0	50	0.0	-40.68	408.49	6.74	-33.94
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NC=C2C)C=N1	REAL300012093092	0	41	0.0	-36.39	330.37	5.08	-31.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C=N1	REAL300012093093	0	41	0.0	-44.15	359.57	4.19	-39.96
COC1=CC=C(C(CC(=O)[O-])[NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C=N1	REAL300012093094	0	46	0.0	-36.62	369.45	8.36	-28.26
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NC=C2Br)C=N1	REAL300012093095	1	38	0.0	-33.73	327.35	4.89	-28.84
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(S(C)(=O)=O)S2)C=N1	REAL300012093096	0	42	0.0	-43.81	373.37	2.93	-40.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2=CC=CC=N2)C=N1	REAL300012093097	0	45	0.0	-33.19	364.07	7.25	-25.94
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(S(N)(=O)=O)C=C2F)C=N1	REAL300012093098	1	44	0.0	-42.21	378.72	1.26	-40.95
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CN2C(C)C)C=N1	REAL300012093100	1	45	0.0	-33.53	361.01	6.03	-27.50
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=CC(Br)=C2C)C=N1	REAL300012093101	0	41	0.0	-36.69	349.56	5.53	-31.16
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C(F)(F)F)C=NN2C)C=N1	REAL300012093102	0	42	0.0	-34.83	355.14	4.73	-30.10
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C3CC3)C=NN2C)C=N1	REAL300012093103	0	46	0.0	-38.06	370.76	5.85	-32.21
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C3CCC3)C=NN2C)C=N1	REAL300012093104	0	49	0.0	-51.53	383.62	6.12	-45.41
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C)N2C)C=N1	REAL300012093105	0	42	0.0	-39.44	338.13	5.09	-34.35
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=C(C)C=CC=C3N2)C=N1	REAL300012093106	0	46	0.0	-52.40	369.37	6.56	-45.84
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2=CC=NC=C2)C=N1	REAL300012093107	0	45	0.0	-51.67	368.21	5.13	-46.54
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=C(C)C=C3N2)C=N1	REAL300012093108	0	46	0.0	-52.49	370.14	6.61	-45.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CN=C2C)C=N1	REAL300012093109	1	40	0.0	-37.84	327.07	3.01	-34.83
CCOC1=CN=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012093110	0	45	0.0	-38.78	366.46	4.63	-34.15
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NC=C2Cl)C=N1	REAL300012093111	1	38	0.0	-34.22	325.67	4.85	-29.37
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2CCOCC2)C=N1	REAL300012093112	0	50	0.0	-38.34	393.35	4.73	-33.61
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=NNC=C32)C=N1	REAL300012093113	0	42	0.0	-56.95	343.00	4.71	-52.24
CCC(F)(F)C(C)(C)C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012093114	0	47	0.0	-34.05	359.62	6.60	-27.45
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NC(F)=C2)C=N1	REAL300012093115	0	38	0.0	-41.31	321.46	4.40	-36.91
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3C=CNC3=C2)C=N1	REAL300012093116	0	43	0.0	-51.68	348.25	6.03	-45.65
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=C(C=CNC3=O)O2)C=N1	REAL300012093117	1	42	0.0	-47.13	352.69	3.69	-43.44
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(F)F)N=C2)C=N1	REAL300012093118	0	41	0.0	-56.33	346.30	5.09	-51.24
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C#N)=CC=C2N(C)C)C=N1	REAL300012093119	0	48	0.0	-36.40	392.48	6.64	-29.76
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=CC(OC)=C2C)C=N1	REAL300012093121	0	45	0.0	-36.94	359.65	4.33	-32.61
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=C(C)C=C(C)C=C2C)C=N1	REAL300012093122	0	52	0.0	-52.15	406.93	9.13	-43.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC=C2N(C)C)C=N1	REAL300012093125	0	47	0.0	-32.53	379.65	6.29	-26.24
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3CC3)C=N2)C=N1	REAL300012093126	1	43	0.0	-38.74	351.53	6.87	-31.87
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C=N1	REAL300012093127	0	44	0.0	-43.06	367.60	6.66	-36.40
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=CC(C)=C(C)C=C2C)C=N1	REAL300012093128	0	52	0.0	-36.34	407.78	9.26	-27.08
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=NS2)C=N1	REAL300012093129	0	38	0.0	-36.95	326.83	4.66	-32.29
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C=N1	REAL300012093130	0	44	0.0	-45.94	374.42	1.18	-44.76
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3CC3)O2)C=N1	REAL300012093132	1	42	0.0	-39.13	348.87	3.52	-35.61
CCC1=CNC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=N1	REAL300012093133	1	42	0.0	-36.00	343.05	4.30	-31.70
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=CC3=C2CCCC3)C=N1	REAL300012093134	0	48	0.0	-46.23	370.04	6.49	-39.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C(C)=NN2C)C=N1	REAL300012093135	1	42	0.0	-50.63	355.61	4.63	-46.00
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(C3=NN(C)C=C3)=N2)C=N1	REAL300012093136	1	45	0.0	-38.95	389.89	4.72	-34.23
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2CCCC2)C=N1	REAL300012093137	0	52	0.0	-51.81	405.21	6.90	-44.91
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C)=C2Br)C=N1	REAL300012093138	1	42	0.0	-33.92	354.76	7.35	-26.57
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C=N1	REAL300012093139	0	50	0.0	-36.95	414.96	9.14	-27.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OCCCC3=C2)C=N1	REAL300012093140	0	47	0.0	-37.03	373.89	6.85	-30.18
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(=O)N(C)C)=C2)C=N1	REAL300012093141	0	49	0.0	-44.69	392.06	6.12	-38.57
CCC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(Cl)=NN1	REAL300012093142	1	42	0.0	-37.27	351.23	4.32	-32.95
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C3CC3)NN=C2Cl)C=N1	REAL300012093143	1	43	0.0	-37.46	366.44	5.16	-32.30
CCC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(C)=NO1	REAL300012093144	1	44	0.0	-37.23	358.85	5.77	-31.46
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=NC3=C2CCCC3)C=N1	REAL300012093146	0	51	0.0	-37.34	391.93	7.39	-29.95
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2N2CCCCC2)C=N1	REAL300012093147	0	54	0.0	-29.89	412.75	8.11	-21.78
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)O1	REAL300012093148	1	43	0.0	-35.95	355.89	5.76	-30.19
CCN1C=NC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012093150	1	42	0.0	-38.87	344.04	6.39	-32.48
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(F)C(C)=C2)C=N1	REAL300012093151	0	41	0.0	-42.37	341.91	5.02	-37.35
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(F)C=C2C)C=N1	REAL300012093152	0	41	0.0	-54.87	332.99	4.76	-50.11
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(F)F)C(F)=C2)C=N1	REAL300012093153	0	42	0.0	-59.05	356.33	6.96	-52.09
COC(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1C	REAL300012093154	0	48	0.0	-39.85	391.02	7.46	-32.39
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(C)=C1	REAL300012093155	0	46	0.0	-49.48	361.14	5.92	-43.56
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(C)=C2Cl)C=N1	REAL300012093156	0	42	0.0	-35.87	365.78	7.71	-28.16
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C#N)=CC=C2Br)C=N1	REAL300012093157	1	40	0.0	-51.42	352.77	6.95	-44.47
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OC(C)CC3=C2)C=N1	REAL300012093158	0	47	0.0	-38.55	377.16	6.82	-31.73
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OC(=O)N3)C=N1	REAL300012093159	0	42	0.0	-55.81	348.65	3.50	-52.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2OCC3)C=N1	REAL300012093160	0	44	0.0	-46.36	352.63	5.83	-40.53
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CSC)C=C2)C=N1	REAL300012093161	0	46	0.0	-51.07	383.10	7.87	-43.20
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CC3CCC3)N=C2)C=N1	REAL300012093162	0	49	0.0	-37.17	392.42	6.97	-30.20
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3COCCC3=NN2C)C=N1	REAL300012093163	0	47	0.0	-54.10	371.84	3.58	-50.52
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3CCCC3=NN2C)C=N1	REAL300012093164	0	46	0.0	-52.49	363.27	5.44	-47.05
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2CCC2)C=N1	REAL300012093165	0	46	0.0	-52.04	365.31	5.75	-46.29
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3CCC3)N=C2)C=N1	REAL300012093166	0	46	0.0	-52.27	365.06	5.77	-46.50
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012093167	0	52	0.0	-40.13	422.28	7.75	-32.38
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012093168	0	49	0.0	-41.10	404.86	7.17	-33.93
COC1=CC=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012093169	0	46	0.0	-33.58	364.55	6.15	-27.43
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3C(=CC=C2)N=CN3C)C=N1	REAL300012093170	0	45	0.0	-37.48	355.59	7.33	-30.15
CCC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012093171	0	45	0.0	-32.87	353.77	7.51	-25.36
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(=O)N(C)C)C=C2)C=N1	REAL300012093172	0	49	0.0	-59.16	389.50	5.87	-53.29
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=CC(F)=C2)C=N1	REAL300012093173	0	42	0.0	-52.14	344.70	6.74	-45.40
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C(C)=C2C)C=N1	REAL300012093174	0	48	0.0	-32.85	369.78	7.96	-24.89
CCNC(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012093175	0	49	0.0	-59.34	394.94	5.11	-54.23
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C(C)(C)C)C=N1	REAL300012093176	0	51	0.0	-33.52	382.23	8.12	-25.40
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C3CCCCCN23)C=N1	REAL300012093177	0	49	0.0	-51.76	372.61	6.37	-45.39
COC1=CC=C2SC(C[NH2+]C(CC(=O)[O-])C3=CC=C(OC)N=C3)=CC2=C1	REAL300012093178	0	46	0.0	-51.43	383.82	6.83	-44.60
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CON=C2C2CC2)C=N1	REAL300012093179	1	42	0.0	-39.05	347.68	5.81	-33.24
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012093180	0	55	0.0	-60.19	423.91	7.51	-52.68
CCN1CCC2=CC(C[NH2+]C(CC(=O)[O-])C3=CC=C(OC)N=C3)=CC=C21	REAL300012093181	0	51	0.0	-36.10	392.60	6.36	-29.74
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012093182	0	52	0.0	-59.13	411.70	6.89	-52.24
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N(C(C)C)N=C2)C=N1	REAL300012093183	0	48	0.0	-35.10	383.21	6.01	-29.09
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(SC)C(Cl)=C2)C=N1	REAL300012093184	0	43	0.0	-54.25	372.13	7.45	-46.80
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3CC3)C(C)=C2)C=N1	REAL300012093185	0	49	0.0	-48.98	383.93	8.60	-40.38
CCOC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=CC=N1	REAL300012093186	0	45	0.0	-54.05	365.85	3.62	-50.43
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C(C3CC3)=C2)C=N1	REAL300012093187	0	49	0.0	-34.09	387.31	8.86	-25.23
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=CC(C)=N3)C=C2C)C=N1	REAL300012093188	0	52	0.0	-41.66	416.11	8.57	-33.09
CCC1=CC(Br)=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)S1	REAL300012093189	0	42	0.0	-32.61	373.31	7.46	-25.15
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC(=O)[O-])C3=CC=C(OC)N=C3)O2)N1	REAL300012093190	0	46	0.0	-45.16	388.75	5.02	-40.14
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)O1	REAL300012093191	1	40	0.0	-36.21	334.04	4.82	-31.39
COCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)O1	REAL300012093192	1	47	0.0	-37.89	389.52	5.00	-32.89
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N(C(C)C)N=C2C)C=N1	REAL300012093193	0	51	0.0	-37.15	403.76	6.57	-30.58
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(CCF)C=C2)C=N1	REAL300012093194	1	42	0.0	-39.20	351.15	4.93	-34.27
CCN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(C)=N1	REAL300012093195	0	45	0.0	-51.70	360.85	5.25	-46.45
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Cl)=CC(Br)=C2)C=N1	REAL300012093196	0	39	0.0	-52.96	355.01	7.11	-45.85
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C2=CC=C(C)C=C2C)C=N1	REAL300012093197	0	55	0.0	-32.23	432.87	10.85	-21.38
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2CC2)C=N1	REAL300012093198	0	46	0.0	-37.34	373.55	6.16	-31.18
COC1=CC=CC(C2=CSC(C[NH2+]C(CC(=O)[O-])C3=CC=C(OC)N=C3)=N2)=C1	REAL300012093199	1	49	0.0	-50.85	409.10	6.03	-44.82
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012093200	0	51	0.0	-40.36	413.66	5.57	-34.79
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)C=N1	REAL300012093201	0	56	0.0	-45.36	433.34	8.12	-37.24
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3CC3)=NN2C)C=N1	REAL300012093202	0	46	0.0	-53.32	369.21	5.65	-47.67
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=CN=C3)C=C2C)C=N1	REAL300012093203	0	49	0.0	-40.26	391.68	9.15	-31.11
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CON=C2C(C)C)C=N1	REAL300012093204	1	44	0.0	-54.06	355.12	5.29	-48.77
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)C=N1	REAL300012093205	0	43	0.0	-38.71	375.29	5.11	-33.60
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C3CCOCC3)O2)C=N1	REAL300012093206	1	49	0.0	-53.27	388.81	2.43	-50.84
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NC(OC)=C2F)C=N1	REAL300012093207	1	42	0.0	-52.87	349.55	2.76	-50.11
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C=CC=C2Br)C=N1	REAL300012093208	1	39	0.0	-41.51	348.66	6.88	-34.63
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN3C=CN=C3S2)C=N1	REAL300012093209	0	39	0.0	-43.27	337.66	6.20	-37.07
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)OC(C(C)(C)C)=C2)C=N1	REAL300012093210	0	51	0.0	-33.42	404.30	7.79	-25.63
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC(C)=C(C)S2)C=N1	REAL300012093211	1	41	0.0	-33.86	345.63	4.66	-29.20
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C=N1	REAL300012093213	0	59	0.0	-40.81	443.86	7.24	-33.57
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=C(Br)C=C2C)C=N1	REAL300012093214	0	41	0.0	-36.70	348.86	5.40	-31.30
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3OC(C)C(C)C3=C2)C=N1	REAL300012093215	0	50	0.0	-37.68	393.56	7.32	-30.36
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C(OC(F)F)=C2)C=N1	REAL300012093216	0	46	0.0	-50.45	376.23	6.31	-44.14
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2CC(C)C)C=N1	REAL300012093217	0	51	0.0	-33.24	389.74	8.62	-24.62
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C(C(F)(F)F)=NN2)C=N1	REAL300012093219	0	42	0.0	-41.08	358.01	4.09	-36.99
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC(C3CC3)=CS2)C=N1	REAL300012093221	1	42	0.0	-36.64	356.11	5.47	-31.17
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C(F)(F)F)=NN2)C=N1	REAL300012093222	0	39	0.0	-42.62	341.54	3.60	-39.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3CCOC3=C2)C=N1	REAL300012093223	0	44	0.0	-51.31	352.38	5.81	-45.50
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(SC)=C2)C=N1	REAL300012093226	0	43	0.0	-36.95	360.49	7.25	-29.70
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C(C)C)C=NN2C)C=N1	REAL300012093227	0	48	0.0	-51.63	379.05	5.48	-46.15
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=NC(C)=C2)C=N1	REAL300012093228	0	44	0.0	-38.78	358.28	5.69	-33.09
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)SC(C)=C2Br)C=N1	REAL300012093229	0	42	0.0	-33.42	366.82	7.09	-26.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2=CC=CC(F)=C2)C=N1	REAL300012093230	0	49	0.0	-41.17	398.64	7.46	-33.71
CCCN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(C)=N1	REAL300012093231	0	48	0.0	-51.46	382.35	6.01	-45.45
CCN1C=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=N1	REAL300012093232	1	42	0.0	-35.01	344.49	4.78	-30.23
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=NC=CC=C3O2)C=N1	REAL300012093233	0	41	0.0	-41.70	342.79	4.93	-36.77
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CC3CC3)S2)C=N1	REAL300012093235	0	46	0.0	-35.10	385.35	8.46	-26.64
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC3CC3)C=C2)C=N1	REAL300012093236	0	47	0.0	-37.40	380.76	7.21	-30.19
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C=N1	REAL300012093237	0	43	0.0	-37.94	371.84	6.05	-31.89
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=CN=C3C)C=C2C)C=N1	REAL300012093238	0	52	0.0	-40.80	415.54	9.24	-31.56
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=NC(C)=C3C)C=C2)C=N1	REAL300012093239	0	52	0.0	-42.58	417.99	9.85	-32.73
CNC(=O)C1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012093240	0	46	0.0	-44.69	376.77	4.51	-40.18
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C=N1	REAL300012093241	0	53	0.0	-34.30	415.23	10.27	-24.03
CCNC(=O)C1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012093243	0	49	0.0	-39.30	398.12	5.34	-33.96
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C3=CC(F)=CC=C3O2)C=N1	REAL300012093244	0	45	0.0	-39.02	374.43	7.43	-31.59
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3CCC3)=NN2)C=N1	REAL300012093245	0	46	0.0	-53.55	364.00	4.91	-48.64
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CC=C3)=NN2C)C=N1	REAL300012093246	0	49	0.0	-40.38	400.37	7.37	-33.01
CCCN1C=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=N1	REAL300012093247	1	45	0.0	-34.66	365.99	5.54	-29.12
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C(C)C)C=C2)C=N1	REAL300012093248	1	45	0.0	-37.73	363.25	5.32	-32.41
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=CC(C(C)(C)C)=C2)C=N1	REAL300012093249	0	50	0.0	-36.06	391.68	6.74	-29.32
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(CC(F)(F)F)C=C2)C=N1	REAL300012093250	1	42	0.0	-38.29	362.37	5.28	-33.01
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)C=N1	REAL300012093251	0	49	0.0	-35.50	390.96	8.22	-27.28
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=C(CCCC3)N2C)C=N1	REAL300012093252	1	49	0.0	-34.96	382.87	6.89	-28.07
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)N=C2OC)C=N1	REAL300012093253	1	42	0.0	-39.18	362.95	3.43	-35.75
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C(F)(F)F)C=N1	REAL300012093254	0	42	0.0	-51.83	353.60	4.79	-47.04
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(F)F)=C2F)C=N1	REAL300012093255	0	42	0.0	-40.89	356.11	7.11	-33.78
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2COCC3)C=N1	REAL300012093256	0	47	0.0	-34.86	365.74	6.19	-28.67
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012093257	0	46	0.0	-46.20	383.34	6.76	-39.44
COC1=NN(C)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012093258	1	43	0.0	-50.98	352.24	1.71	-49.27
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC3=C(COCC3)S2)C=N1	REAL300012093259	1	43	0.0	-35.39	359.58	3.55	-31.84
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C=N1	REAL300012093260	0	46	0.0	-52.76	376.48	6.06	-46.70
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=C(CCCC3)O2)C=N1	REAL300012093261	1	46	0.0	-36.69	364.44	7.05	-29.64
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC([N+](=O)[O-])=C2)C=N1	REAL300012093262	0	41	0.0	-45.30	354.90	6.98	-38.32
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3CCCCC3)N=C2)C=N1	REAL300012093263	0	52	0.0	-39.05	404.80	7.27	-31.78
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)N(C3=CC=CC=C3)N=C2)C=N1	REAL300012093264	1	46	0.0	-50.48	390.76	7.49	-42.99
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N(C)CCO)N=C2)C=N1	REAL300012093265	0	50	0.0	-52.94	396.46	3.58	-49.36
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(C)(C)C)=C2OC)C=N1	REAL300012093266	0	55	0.0	-34.88	413.32	8.03	-26.85
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(OC)C=C2C)C=N1	REAL300012093268	0	45	0.0	-52.10	358.75	3.29	-48.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(O)=C(OC)C=C2C)C=N1	REAL300012093269	0	47	0.0	-36.72	375.96	3.90	-32.82
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C=N1	REAL300012093270	0	45	0.0	-37.24	377.04	5.37	-31.87
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CC=CC=C3N(C)C2=O)C=N1	REAL300012093271	0	48	0.0	-35.47	386.77	7.02	-28.45
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C)C(OC)=N2)C=N1	REAL300012093272	1	45	0.0	-39.19	367.46	3.60	-35.59
CCCN1C=NC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012093273	0	45	0.0	-49.48	354.78	6.85	-42.63
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CNC2=O)C=N1	REAL300012093274	0	39	0.0	-36.36	323.91	3.16	-33.20
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=CC=C3OCOC3=C2)C=N1	REAL300012093275	0	46	0.0	-40.93	377.26	6.17	-34.76
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CC3CCC3)C=C2)C=N1	REAL300012093276	0	52	0.0	-34.13	411.39	9.76	-24.37
CCC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=NN1CC	REAL300012093277	0	48	0.0	-34.01	379.90	6.15	-27.86
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=CC(Cl)=C2F)C=N1	REAL300012093278	1	39	0.0	-33.61	346.88	6.74	-26.87
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3CC3)=NN2)C=N1	REAL300012093279	0	43	0.0	-39.16	351.88	4.70	-34.46
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2C2CC2(F)F)C=N1	REAL300012093280	0	43	0.0	-58.31	360.23	5.51	-52.80
COC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=CS1	REAL300012093281	1	40	0.0	-33.66	341.80	4.66	-29.00
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)OC=C2C(F)(F)F)C=N1	REAL300012093282	0	42	0.0	-37.62	359.08	5.98	-31.64
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(C)(F)F)=C2)C=N1	REAL300012093283	0	45	0.0	-36.74	373.38	7.75	-28.99
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C=N1	REAL300012093284	0	45	0.0	-38.99	383.09	6.99	-32.00
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CN(C)N=C2)C=N1	REAL300012093285	0	46	0.0	-42.71	373.00	3.90	-38.81
CCCN1N=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1Cl	REAL300012093286	1	48	0.0	-34.62	401.76	6.52	-28.10
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C(C)(C)C#N)S2)C=N1	REAL300012093287	0	45	0.0	-37.53	386.93	5.58	-31.95
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC(F)=C2F)C=N1	REAL300012093288	1	39	0.0	-39.61	338.55	6.40	-33.21
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C=N1	REAL300012093289	0	46	0.0	-36.96	385.75	8.65	-28.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C(C)(C)C)=NN2)C=N1	REAL300012093290	0	48	0.0	-53.29	378.85	4.84	-48.45
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C=N1	REAL300012093291	0	45	0.0	-37.10	377.92	8.88	-28.22
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2OC2CCCCC2)C=N1	REAL300012093292	0	56	0.0	-33.66	429.73	9.05	-24.61
C=CCC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012093293	0	46	0.0	-33.43	367.34	8.10	-25.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2COC2CCCCC2)C=N1	REAL300012093294	0	59	0.0	-48.34	447.08	9.51	-38.83
CCN1CCCC2=CC(C[NH2+]C(CC(=O)[O-])C3=CC=C(OC)N=C3)=CC=C21	REAL300012093295	0	54	0.0	-35.23	409.16	7.23	-28.00
COCC1=CN=C(OC)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012093296	1	49	0.0	-34.41	400.19	2.73	-31.68
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Br)N(C)N=C2)C=N1	REAL300012093297	1	39	0.0	-47.67	339.26	4.19	-43.48
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=CC=CC=C2)C=N1	REAL300012093298	0	43	0.0	-36.33	351.20	7.52	-28.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=NN2C2CC2)C=N1	REAL300012093299	1	42	0.0	-41.09	346.63	4.23	-36.86
COCC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012093300	0	46	0.0	-34.93	366.70	6.09	-28.84
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C=N1	REAL300012093301	0	43	0.0	-38.17	376.68	7.69	-30.48
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)C=N1	REAL300012093302	0	52	0.0	-53.33	410.09	6.68	-46.65
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3CCOCC3=C2)C=N1	REAL300012093303	0	47	0.0	-37.48	373.87	6.31	-31.17
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(CCO)N=C2)C=N1	REAL300012093304	0	43	0.0	-39.23	355.86	1.52	-37.71
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C3=CC=C(F)C=C3S2)C=N1	REAL300012093305	0	45	0.0	-34.75	380.72	8.37	-26.38
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C=N1	REAL300012093306	0	45	0.0	-43.16	374.89	4.40	-38.76
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=CC(OC)=C2OC)C=N1	REAL300012093307	1	47	0.0	-33.75	381.83	5.62	-28.13
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=CC=NC=C2)C=N1	REAL300012093308	0	42	0.0	-56.64	343.05	5.52	-51.12
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=NN(C)C=C2)C=N1	REAL300012093309	0	46	0.0	-37.93	377.47	4.23	-33.70
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=CC(C)=C2Br)C=N1	REAL300012093310	1	42	0.0	-31.33	360.46	7.24	-24.09
C=CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012093311	0	43	0.0	-49.64	348.10	7.07	-42.57
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OCC3CCC3)=C2)C=N1	REAL300012093312	0	53	0.0	-36.61	419.87	8.59	-28.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C(C)(F)F)C=N1	REAL300012093313	0	45	0.0	-34.44	357.86	7.56	-26.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OCCO)C(OC)=C2)C=N1	REAL300012093314	0	51	0.0	-57.50	408.88	3.02	-54.48
CCN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(C2CC2)=N1	REAL300012093315	0	49	0.0	-37.99	396.57	7.08	-30.91
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)C(OCCO)=C2)C=N1	REAL300012093316	0	51	0.0	-56.90	408.88	3.02	-53.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2=CC=NN2C)C=N1	REAL300012093317	0	49	0.0	-44.76	405.17	5.13	-39.63
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CON=C2C(C)(C)C)C=N1	REAL300012093318	1	47	0.0	-50.66	360.57	5.75	-44.91
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CN=CC=C3C=C2)C=N1	REAL300012093319	0	44	0.0	-40.77	361.16	6.70	-34.07
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3OC(C)=CC3=CC=C2)C=N1	REAL300012093320	0	45	0.0	-47.80	366.12	7.16	-40.64
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C=N1	REAL300012093321	0	42	0.0	-50.65	348.18	6.95	-43.70
COC1=CSC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1OC	REAL300012093322	0	44	0.0	-34.35	369.05	4.37	-29.98
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CON=C2C2CCC2)C=N1	REAL300012093323	1	45	0.0	-54.25	361.59	6.09	-48.16
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(S(C)(=O)=O)=CO2)C=N1	REAL300012093325	1	42	0.0	-61.00	360.35	1.57	-59.43
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C=N1	REAL300012093326	0	42	0.0	-39.83	364.59	7.27	-32.56
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(C)C)C(F)=C2)C=N1	REAL300012093327	0	49	0.0	-55.59	392.36	6.91	-48.68
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(F)C(Cl)=C2F)C=N1	REAL300012093329	1	39	0.0	-37.45	346.64	6.85	-30.60
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(F)F)=C2)C=N1	REAL300012093330	0	42	0.0	-36.82	352.36	7.08	-29.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C3=CC=CC=C3C=C2)C=N1	REAL300012093331	0	45	0.0	-38.03	370.94	8.49	-29.54
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(S(C)(=O)=O)=CS2)C=N1	REAL300012093332	0	42	0.0	-56.37	368.76	2.57	-53.80
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSC(Cl)=C2)C=N1	REAL300012093333	0	36	0.0	-36.17	327.18	5.78	-30.39
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N(C3CCC3)N=C2)C=N1	REAL300012093334	0	49	0.0	-50.96	384.16	6.45	-44.51
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3=CC=CC(Cl)=C3)N=C2)C=N1	REAL300012093335	0	46	0.0	-38.98	395.84	7.97	-31.01
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=NN2C2CCCC2)C=N1	REAL300012093336	0	52	0.0	-51.38	404.98	7.07	-44.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NN2CC(F)F)C=N1	REAL300012093337	0	42	0.0	-47.36	345.63	4.84	-42.52
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC([N+](=O)[O-])=CC=C2N(C)C)C=N1	REAL300012093338	0	49	0.0	-36.45	401.30	6.87	-29.58
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)C=N1	REAL300012093339	0	42	0.0	-49.73	356.21	7.31	-42.42
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C=N1	REAL300012093341	0	46	0.0	-39.47	385.51	7.52	-31.95
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(F)C=NC=C2N(C)C)C=N1	REAL300012093342	1	46	0.0	-45.50	370.72	4.11	-41.39
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N=C(OC)C(Cl)=C2C)C=N1	REAL300012093343	0	48	0.0	-37.83	390.83	4.26	-33.57
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C3CCC3)C=C2)C=N1	REAL300012093345	1	46	0.0	-37.83	366.26	5.80	-32.03
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(CC(F)F)C=C2)C=N1	REAL300012093346	1	42	0.0	-39.59	357.56	5.08	-34.51
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C3CC3(F)F)C=C2)C=N1	REAL300012093347	1	43	0.0	-43.64	366.08	5.66	-37.98
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3CCCCC3)N=C2C)C=N1	REAL300012093348	0	55	0.0	-50.55	421.17	7.63	-42.92
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3CCOCC3)N=C2)C=N1	REAL300012093349	0	50	0.0	-39.51	395.57	4.86	-34.65
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3CCOCC3)N=C2C)C=N1	REAL300012093350	0	53	0.0	-37.61	415.31	5.46	-32.15
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC(C)=CN2C)C=N1	REAL300012093351	1	42	0.0	-50.11	338.11	4.94	-45.17
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NN(C3CCCC3)C=C2)C=N1	REAL300012093352	1	49	0.0	-37.39	385.93	6.57	-30.82
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(S(N)(=O)=O)=CS2)C=N1	REAL300012093353	1	41	0.0	-56.82	362.34	-0.03	-56.85
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CSN=C2C)C=N1	REAL300012093355	0	38	0.0	-52.71	317.71	4.22	-48.49
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)C=N1	REAL300012093356	0	54	0.0	-43.06	425.14	5.68	-37.38
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3CCCC3)N=C2C)C=N1	REAL300012093357	0	52	0.0	-50.59	402.19	7.02	-43.57
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C(F)F)C=N1	REAL300012093358	0	42	0.0	-34.21	340.91	7.04	-27.17
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C)=CC(Br)=C2F)C=N1	REAL300012093359	0	42	0.0	-34.11	366.54	7.56	-26.55
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OC)=C2Br)C=N1	REAL300012093360	1	43	0.0	-36.86	365.16	6.13	-30.73
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=CNN=C3C=C2)C=N1	REAL300012093361	0	42	0.0	-57.48	342.78	4.69	-52.79
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)C(F)=C2F)C=N1	REAL300012093362	1	39	0.0	-37.65	347.07	6.87	-30.78
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(F)=C2C)C=N1	REAL300012093363	0	42	0.0	-50.12	336.60	6.63	-43.49
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C3=CN(C)N=C3)=C2)C=N1	REAL300012093364	0	49	0.0	-39.54	400.28	7.50	-32.04
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C([N+](=O)[O-])C(OC3CC3)=C2)C=N1	REAL300012093365	0	49	0.0	-49.45	406.33	8.64	-40.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(Br)=CC=C2C)C=N1	REAL300012093366	0	42	0.0	-33.43	356.36	7.47	-25.96
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C#N)=C2OC)C=N1	REAL300012093367	0	44	0.0	-40.83	363.27	6.07	-34.76
COC1=NC2=CC=C(C[NH2+]C(CC(=O)[O-])C3=CC=C(OC)N=C3)C=C2S1	REAL300012093368	0	45	0.0	-56.41	380.94	3.79	-52.62
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=NC(Br)=C2)C=N1	REAL300012093369	0	38	0.0	-39.97	336.50	4.95	-35.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC(Cl)=C2Cl)C=N1	REAL300012093370	1	39	0.0	-36.59	354.56	7.22	-29.37
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(Cl)N=C2C)C=N1	REAL300012093371	0	41	0.0	-54.13	343.27	5.20	-48.93
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(OCC(C)(C)C)=C2)C=N1	REAL300012093372	0	55	0.0	-36.12	432.07	8.58	-27.54
COC1=CC(Cl)=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012093373	0	43	0.0	-36.93	366.51	6.05	-30.88
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=C(F)C(OC)=C2)C=N1	REAL300012093374	0	43	0.0	-60.43	358.92	5.41	-55.02
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C)C=C2OC)C=N1	REAL300012093375	1	45	0.0	-35.25	365.57	4.44	-30.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C(C)C)C=N2)C=N1	REAL300012093376	1	45	0.0	-38.41	363.65	6.78	-31.63
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CNN=C2C2=CC=NN2C)C=N1	REAL300012093377	0	46	0.0	-45.17	382.21	3.82	-41.35
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)ON=C2C2CC2)C=N1	REAL300012093378	1	45	0.0	-36.03	369.57	6.64	-29.39
COC(=O)C1=C(C)NC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1C	REAL300012093379	0	49	0.0	-43.07	403.96	5.93	-37.14
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC(C)C)O2)C=N1	REAL300012093380	1	46	0.0	-38.05	376.07	6.45	-31.60
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=C(Br)C=C2C)C=N1	REAL300012093381	0	45	0.0	-34.70	374.71	7.87	-26.83
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(O)C=CC(F)=C2Br)C=N1	REAL300012093382	0	40	0.0	-37.89	353.54	3.95	-33.94
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C=CC3=C2OCO3)C=N1	REAL300012093383	1	42	0.0	-45.29	356.96	5.07	-40.22
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(F)=CC(C#N)=C2)C=N1	REAL300012093384	0	40	0.0	-60.34	344.26	6.44	-53.90
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3CCCCC3)C=C2)C=N1	REAL300012093385	0	55	0.0	-34.65	422.03	10.03	-24.62
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC=CC2=CC=CC=C2OC)C=N1	REAL300012093386	0	47	0.0	-36.18	379.57	6.87	-29.31
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=C(Br)S2)C=N1	REAL300012093387	0	39	0.0	-33.51	350.61	6.65	-26.86
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C3CCC3)N=C2C)C=N1	REAL300012093388	0	49	0.0	-51.29	384.25	6.34	-44.95
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)N(CC(F)F)N=C2)C=N1	REAL300012093389	0	45	0.0	-36.38	374.37	5.64	-30.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C=N1	REAL300012093390	0	47	0.0	-41.57	389.35	6.56	-35.01
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012093391	1	48	0.0	-33.28	398.10	6.54	-26.74
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC(C3=CC=CO3)=NN2C)C=N1	REAL300012093392	0	46	0.0	-42.22	383.60	5.50	-36.72
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C=N1	REAL300012093393	0	52	0.0	-36.30	422.98	10.69	-25.61
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012093394	0	55	0.0	-55.90	436.22	7.24	-48.66
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(OC)N=C2C)C=N1	REAL300012093395	0	45	0.0	-52.26	358.58	3.26	-49.00
CCN(C)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C(C)=C1	REAL300012093396	0	53	0.0	-46.66	404.95	7.97	-38.69
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(Cl)C(Cl)=CS2)C=N1	REAL300012093397	1	36	0.0	-36.08	341.73	6.27	-29.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C(C)(C)C)N=C2C(C)(C)C)C=N1	REAL300012093398	0	60	0.0	-46.34	445.84	8.20	-38.14
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)SN=C2)C=N1	REAL300012093399	0	38	0.0	-52.78	319.58	4.42	-48.36
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(OC)C=C(C)C=C2OC)C=N1	REAL300012093400	1	50	0.0	-31.45	397.80	5.58	-25.87
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(CF)C=C2)C=N1	REAL300012093401	0	42	0.0	-37.10	348.16	7.04	-30.06
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3SC=CC3=C2)C=N1	REAL300012093402	0	42	0.0	-52.67	353.45	7.34	-45.33
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C=N1	REAL300012093403	0	48	0.0	-39.27	389.69	7.90	-31.37
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2CO)C=N1	REAL300012093404	0	43	0.0	-35.67	344.47	3.68	-31.99
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)SN=C2C)C=N1	REAL300012093405	0	41	0.0	-38.09	341.38	5.02	-33.07
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C(C)(C)C)ON=C2)C=N1	REAL300012093406	1	47	0.0	-47.42	356.95	5.97	-41.45
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C)=C2C(F)(F)F)C=N1	REAL300012093407	0	45	0.0	-46.54	362.06	7.57	-38.97
C=CCN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=N1	REAL300012093408	0	43	0.0	-40.29	357.30	5.43	-34.86
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=NNC=C3C=C2)C=N1	REAL300012093409	0	42	0.0	-54.08	343.13	4.71	-49.37
CCC(C)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)C=C1	REAL300012093410	0	51	0.0	-34.22	398.95	8.83	-25.39
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)C=N1	REAL300012093411	0	44	0.0	-42.21	385.33	6.61	-35.60
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC3=C(CCOC3)N=C2Cl)C=N1	REAL300012093412	1	46	0.0	-35.77	378.95	4.79	-30.98
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=NC=C(CC3=CC=CC=C3)N2C)C=N1	REAL300012093413	1	52	0.0	-50.76	416.00	8.50	-42.26
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(C)(F)F)=N2)C=N1	REAL300012093414	1	44	0.0	-52.63	365.64	5.92	-46.71
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC3=C2CCCC3)C=N1	REAL300012093415	0	49	0.0	-47.15	371.93	8.34	-38.81
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC(C)=CC2=CC(F)=CC(F)=C2)C=N1	REAL300012093416	0	46	0.0	-38.09	380.14	8.14	-29.95
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC(C(F)(F)F)=C2F)C=N1	REAL300012093417	1	42	0.0	-42.46	363.77	7.26	-35.20
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C=N1	REAL300012093418	0	45	0.0	-47.10	372.65	6.15	-40.95
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C3=CC=CC=C3C=C2)C=N1	REAL300012093419	0	48	0.0	-49.24	373.85	8.74	-40.50
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C(C)(C)C)N=C2C(C)C)C=N1	REAL300012093420	0	57	0.0	-50.10	441.65	7.63	-42.47
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C3NC=CC3=C2OC)C=N1	REAL300012093421	0	47	0.0	-38.17	381.32	5.64	-32.53
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)SC(C)=N2)C=N1	REAL300012093422	1	41	0.0	-35.34	345.77	4.66	-30.68
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C=N1	REAL300012093423	0	52	0.0	-38.00	407.76	3.22	-34.78
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(OC)C=CC(OC)=C2OC)C=N1	REAL300012093424	1	51	0.0	-32.42	404.69	4.93	-27.49
CCCN1N=CC(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1C	REAL300012093425	0	48	0.0	-35.19	384.97	6.09	-29.10
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)C=N1	REAL300012093426	0	56	0.0	-46.08	423.19	7.81	-38.27
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=C(C)C=CC3=CC=CN=C32)C=N1	REAL300012093427	0	47	0.0	-35.55	371.88	7.09	-28.46
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(N3C=CC=N3)C(C)=C2)C=N1	REAL300012093428	0	48	0.0	-42.24	392.41	7.58	-34.66
COC(=O)C1=CN(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=C(OC)N=C2)=C1	REAL300012093429	0	46	0.0	-44.46	382.22	6.37	-38.09
CCCN1N=C(C)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=C(OC)N=C1	REAL300012093430	0	48	0.0	-37.06	383.11	5.91	-31.15
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN(C)N=C2C2CCC2)C=N1	REAL300012093431	0	49	0.0	-37.75	391.43	6.65	-31.10
COC1=CC=C(C(CC(=O)[O-])[NH2+]CC2=CN=C(C(C)(C)C)O2)C=N1	REAL300012093432	1	47	0.0	-51.06	375.73	3.47	-47.59
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012093433	0	56	0.0	-39.71	429.50	11.48	-28.23
CCCCC(C)([NH2+]CC1=CC=C(Br)O1)C(=O)[O-]	REAL300012093434	0	35	0.0	-35.13	291.52	7.14	-27.99
CCCCC(C)([NH2+]CC1=CC=C(OCC2=CC=C(F)C=C2)C(OC)=C1)C(=O)[O-]	REAL300012093435	0	56	0.0	-40.38	435.92	11.55	-28.83
CCCCC(C)([NH2+]CC1=CC=CC(NC(=O)C2=CC=C(OC)C=C2)=C1)C(=O)[O-]	REAL300012093436	0	56	0.0	-42.66	430.47	9.62	-33.04
CCCCC(C)([NH2+]CC1=CC=CC(NC(=O)C2=CC=CC=C2Cl)=C1)C(=O)[O-]	REAL300012093437	0	52	0.0	-42.87	413.42	10.83	-32.04
CCCCC(C)([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300012093438	0	48	0.0	-39.21	367.51	10.07	-29.14
CCCCC(C)([NH2+]CC1=CC=C(OC(F)F)C(OC)=C1)C(=O)[O-]	REAL300012093439	0	46	0.0	-39.84	357.50	7.78	-32.06
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1)C(=O)[O-]	REAL300012093440	0	45	0.0	-35.75	370.62	10.78	-24.97
CCCCC(C)([NH2+]CC1=CC(Br)=C(OC)C(OCC)=C1)C(=O)[O-]	REAL300012093441	0	49	0.0	-39.88	394.02	9.14	-30.74
CCCCC(C)([NH2+]CC1=CC(Br)=C(OCC)C(OC)=C1)C(=O)[O-]	REAL300012093442	0	49	0.0	-39.97	394.02	9.17	-30.80
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OCC)=C1)C(=O)[O-]	REAL300012093443	0	49	0.0	-38.50	369.60	8.42	-30.08
CCCCCOC1=CC=C(C[NH2+]C(C)(CCCC)C(=O)[O-])C=C1	REAL300012093444	0	54	0.0	-35.23	404.85	10.89	-24.34
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C(=O)[O-]	REAL300012093445	0	47	0.0	-42.01	377.52	10.83	-31.18
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1)C(=O)[O-]	REAL300012093446	0	47	0.0	-41.30	377.50	10.83	-30.47
CCCCC(C)([NH2+]CC1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300012093447	0	42	0.0	-37.79	338.91	8.27	-29.52
CCCCOC1=CC=C(C[NH2+]C(C)(CCCC)C(=O)[O-])C=C1OC	REAL300012093448	0	55	0.0	-38.22	412.60	10.01	-28.21
CCCCC(C)([NH2+]CC1=CC=C(OCCC)C(OC)=C1)C(=O)[O-]	REAL300012093449	0	52	0.0	-38.20	391.09	9.22	-28.98
C=CCOC1=CC=C(C[NH2+]C(C)(CCCC)C(=O)[O-])C=C1OC	REAL300012093450	0	50	0.0	-38.63	382.50	9.01	-29.62
CCCCCCOC1=CC=C(C[NH2+]C(C)(CCCC)C(=O)[O-])C=C1OC	REAL300012093451	0	61	0.0	-38.17	455.59	11.57	-26.60
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1)C(=O)[O-]	REAL300012093452	0	45	0.0	-35.68	366.05	10.68	-25.00
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1)C(=O)[O-]	REAL300012093453	0	45	0.0	-34.83	366.16	10.72	-24.11
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1)C(=O)[O-]	REAL300012093454	0	45	0.0	-35.51	370.62	10.76	-24.75
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C(=O)[O-]	REAL300012093455	0	45	0.0	-34.96	373.56	11.61	-23.35
CCCCC(C)([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012093456	0	48	0.0	-38.75	373.23	9.97	-28.78
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1)C(=O)[O-]	REAL300012093457	0	47	0.0	-39.37	373.41	11.45	-27.92
CCCCC(C)([NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300012093458	0	44	0.0	-34.74	360.33	9.13	-25.61
CCCCC(C)([NH2+]CC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300012093459	0	42	0.0	-36.98	345.39	9.76	-27.22
CCCCC(C)([NH2+]CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300012093460	0	42	0.0	-37.19	334.99	8.09	-29.10
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1)C(=O)[O-]	REAL300012093461	0	47	0.0	-40.56	385.03	11.76	-28.80
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C(=O)[O-]	REAL300012093462	0	47	0.0	-38.91	385.87	11.82	-27.09
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(C)C=C2)O1)C(=O)[O-]	REAL300012093463	0	48	0.0	-35.07	370.73	10.84	-24.23
CCCCC(C)([NH2+]CC1=CC=C(OCC2CCCO2)C=C1)C(=O)[O-]	REAL300012093464	0	53	0.0	-37.69	397.32	8.92	-28.77
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300012093465	0	45	0.0	-35.43	363.25	11.15	-24.28
CCCCC(C)([NH2+]CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300012093466	0	45	0.0	-40.72	347.35	9.51	-31.21
CCCCC(C)([NH2+]CC1=CC=C(N2C=NC=N2)C=C1)C(=O)[O-]	REAL300012093467	0	44	0.0	-43.00	342.28	10.83	-32.17
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)S1)C(=O)[O-]	REAL300012093468	0	45	0.0	-34.98	378.13	11.71	-23.27
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300012093469	0	45	0.0	-34.06	373.65	11.61	-22.45
CCCCC(C)([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C(OC)=C1)C(=O)[O-]	REAL300012093470	0	55	0.0	-41.74	424.39	9.71	-32.03
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=C2F)S1)C(=O)[O-]	REAL300012093471	0	45	0.0	-34.95	366.04	11.25	-23.70
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=C2Br)S1)C(=O)[O-]	REAL300012093472	0	45	0.0	-34.02	377.22	11.68	-22.34
CCCCC(C)([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300012093473	0	41	0.0	-33.36	339.58	9.78	-23.58
CCCCC(C)([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300012093474	0	41	0.0	-41.54	333.32	9.36	-32.18
CCCCC(C)([NH2+]CC1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300012093475	0	38	0.0	-31.72	318.43	9.26	-22.46
CCCCC(C)([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012093476	0	41	0.0	-39.05	334.21	9.33	-29.72
CCCCC(C)([NH2+]CC1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300012093477	0	41	0.0	-34.54	332.24	9.34	-25.20
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OC)=C1Cl)C(=O)[O-]	REAL300012093478	0	46	0.0	-36.20	363.65	8.08	-28.12
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)S1)C(=O)[O-]	REAL300012093479	0	45	0.0	-35.22	378.14	11.69	-23.53
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300012093480	0	45	0.0	-35.28	373.57	11.58	-23.70
CCCCC(C)([NH2+]CC1=CC=CC(OCC2=CC=CC(C#N)=C2)=C1)C(=O)[O-]	REAL300012093481	0	53	0.0	-38.33	421.10	11.98	-26.35
CCCCC(C)([NH2+]CC1=CC=C(OCC(F)(F)F)C(OC)=C1)C(=O)[O-]	REAL300012093482	0	49	0.0	-41.54	389.17	8.89	-32.65
CCCCC(C)([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300012093483	0	51	0.0	-38.81	395.14	9.82	-28.99
CCCCC(C)([NH2+]CC1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300012093484	0	44	0.0	-38.48	353.87	8.10	-30.38
CCCCC(C)([NH2+]CC1=CC(Br)=C2OCCCOC2=C1)C(=O)[O-]	REAL300012093485	0	47	0.0	-38.92	372.35	8.87	-30.05
CCCCC(C)([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C(=O)[O-]	REAL300012093486	0	48	0.0	-42.79	388.52	10.47	-32.32
CCCCC(C)([NH2+]CC1=CC=CC(OCCOC)=C1)C(=O)[O-]	REAL300012093487	0	49	0.0	-36.05	374.06	7.77	-28.28
CCCCC(C)([NH2+]CC1=CSC(C2=CC=CC=N2)=N1)C(=O)[O-]	REAL300012093488	0	43	0.0	-37.30	349.34	7.20	-30.10
CCCCC(C)([NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)N=C1)C(=O)[O-]	REAL300012093489	0	54	0.0	-43.11	407.13	8.21	-34.90
CCCCC(C)([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C(=O)[O-]	REAL300012093490	0	45	0.0	-37.08	360.01	8.97	-28.11
CCCCC(C)([NH2+]CC1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300012093491	0	47	0.0	-32.96	348.87	8.32	-24.64
CCCCC(C)([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300012093492	0	45	0.0	-34.27	355.04	10.89	-23.38
CCCCC(C)([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C(=O)[O-]	REAL300012093493	0	52	0.0	-34.02	383.09	10.50	-23.52
CCCCC(C)([NH2+]CC1=CSC(C2=CC=C(C)C=C2)=N1)C(=O)[O-]	REAL300012093494	1	47	0.0	-33.76	375.33	9.74	-24.02
CCCCC(C)([NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C(=O)[O-]	REAL300012093495	0	52	0.0	-36.03	403.98	11.74	-24.29
CCCCC(C)([NH2+]CC1=CSC(COC2=CC=CC=C2)=N1)C(=O)[O-]	REAL300012093496	0	48	0.0	-36.23	385.51	8.58	-27.65
CCCCC(C)([NH2+]CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)C(=O)[O-]	REAL300012093497	0	47	0.0	-35.39	392.62	10.07	-25.32
CCCCC(C)([NH2+]CC1=CSC(COC2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300012093498	0	48	0.0	-36.30	402.24	9.11	-27.19
CCCCC(C)([NH2+]CC1=CSC(COC2=CC=C(C)C=C2)=N1)C(=O)[O-]	REAL300012093499	0	51	0.0	-36.22	406.92	9.26	-26.96
CCCCC(C)([NH2+]CC1=CSC(COC2=CC=C(OC)C=C2)=N1)C(=O)[O-]	REAL300012093500	0	52	0.0	-37.62	415.00	7.88	-29.74
CCCCC(C)([NH2+]CC1=CSC(C2=CSC=C2)=N1)C(=O)[O-]	REAL300012093501	0	41	0.0	-33.55	344.96	8.00	-25.55
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300012093502	0	45	0.0	-36.12	363.26	11.15	-24.97
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300012093503	0	48	0.0	-34.28	378.24	11.75	-22.53
CCCCC(C)([NH2+]CC1=CC=C(OC2=CC(OC)=CC(OC)=C2)C=C1)C(=O)[O-]	REAL300012093504	0	57	0.0	-39.03	437.23	9.78	-29.25
CCCCC(C)([NH2+]CC1=CC(Cl)=CC(Cl)=C1OC)C(=O)[O-]	REAL300012093505	0	42	0.0	-35.23	351.34	8.74	-26.49
CCCCC(C)([NH2+]CC1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300012093506	0	38	0.0	-31.64	323.00	9.36	-22.28
CCCCC(C)([NH2+]CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300012093507	0	38	0.0	-31.24	322.01	9.36	-21.88
CCCCC(C)([NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)C(=O)[O-]	REAL300012093508	0	49	0.0	-36.26	391.47	11.33	-24.93
CCCCC(C)([NH2+]CC1=CC(OC)=C(OCC)C(OC)=C1)C(=O)[O-]	REAL300012093509	0	53	0.0	-41.37	402.83	8.33	-33.04
CCCCC(C)([NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012093510	0	58	0.0	-35.80	443.26	13.14	-22.66
CCCCC(C)([NH2+]CC1=CC=C(OC2=CC=CN=C2)C(C)=C1)C(=O)[O-]	REAL300012093511	0	51	0.0	-39.00	392.75	10.06	-28.94
CCCCC(C)([NH2+]CC1=CN=C(C2=CC=C(C)C=C2)S1)C(=O)[O-]	REAL300012093512	0	47	0.0	-35.82	375.42	10.01	-25.81
CCCCC(C)([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012093513	0	43	0.0	-32.23	345.47	9.33	-22.90
CCCCC(C)([NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)C(=O)[O-]	REAL300012093514	0	45	0.0	-36.92	363.81	10.33	-26.59
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(F)C=C2C)O1)C(=O)[O-]	REAL300012093515	0	48	0.0	-35.95	376.27	10.91	-25.04
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(CC)C=C2)O1)C(=O)[O-]	REAL300012093516	0	51	0.0	-34.82	392.20	11.60	-23.22
CCCCC(C)([NH2+]CC1=CC2=CC(OC)=CC=C2O1)C(=O)[O-]	REAL300012093517	0	45	0.0	-37.33	346.43	8.08	-29.25
CCCCC(C)([NH2+]CC1=CC=C(OC2=CC=CC=C2)O1)C(=O)[O-]	REAL300012093518	0	46	0.0	-36.72	355.47	9.98	-26.74
CCCCC(C)([NH2+]CC1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300012093519	0	41	0.0	-35.08	328.49	9.49	-25.59
CCCCC(C)([NH2+]CC1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300012093520	0	41	0.0	-35.88	328.49	9.49	-26.39
CCCCC(C)([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012093521	0	45	0.0	-35.67	347.96	9.39	-26.28
CCCCC(C)([NH2+]CC1=CC(Cl)=CC2=C1OCC2)C(=O)[O-]	REAL300012093522	0	43	0.0	-32.60	341.49	8.64	-23.96
CCCCC(C)([NH2+]CC1=CC2=CC=CN=C2C(C)=C1)C(=O)[O-]	REAL300012093523	0	46	0.0	-39.26	350.24	9.49	-29.77
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C(=O)[O-]	REAL300012093524	0	57	0.0	-34.65	425.43	12.49	-22.16
CCCCC(C)([NH2+]CC1=CC(C)=C(OCC2=CC=CC(C)=C2)C(C)=C1)C(=O)[O-]	REAL300012093525	0	61	0.0	-36.85	463.56	13.74	-23.11
CCCCC(C)([NH2+]CC1=CC(C)=C(OCC2=CC=CC=C2C)C(C)=C1)C(=O)[O-]	REAL300012093526	0	61	0.0	-36.74	458.34	13.76	-22.98
CCCCC(C)([NH2+]CC1=CC=C(N(CC)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012093527	0	56	0.0	-36.01	421.99	13.01	-23.00
CCCCC(C)([NH2+]CC1=CC=C(N(CC)CC)C(F)=C1)C(=O)[O-]	REAL300012093528	0	52	0.0	-37.28	388.27	9.36	-27.92
CCCCC(C)([NH2+]CC1=CC(OC)=C(OC)C=C1SC)C(=O)[O-]	REAL300012093529	0	50	0.0	-34.40	383.35	8.44	-25.96
CCCCC(C)([NH2+]CC1=NC2=CC=C(OC)C=C2S1)C(=O)[O-]	REAL300012093530	0	44	0.0	-35.20	350.73	7.09	-28.11
CCCCC(C)([NH2+]CC1=NC2=CC=C(Cl)C=C2N1C)C(=O)[O-]	REAL300012093531	0	44	0.0	-37.65	352.22	9.14	-28.51
CCCCC(C)([NH2+]CC1=CC=C(SC(F)F)C=C1)C(=O)[O-]	REAL300012093532	0	42	0.0	-36.89	338.81	9.57	-27.32
CCCCC(C)([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300012093533	0	42	0.0	-40.32	334.48	7.95	-32.37
CCCCC(C)([NH2+]CC1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300012093534	0	44	0.0	-36.36	342.85	9.94	-26.42
CCCCC(C)([NH2+]CC1=CC(Cl)=C(OC)C(OC)=C1)C(=O)[O-]	REAL300012093535	0	46	0.0	-40.25	367.78	8.11	-32.14
CCCCC(C)([NH2+]CC1=CC=C(OC(C)C(=O)N(C)C)C(OCC)=C1)C(=O)[O-]	REAL300012093536	0	62	0.0	-49.52	461.54	10.15	-39.37
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OCC(C)C)=C1)C(=O)[O-]	REAL300012093537	0	55	0.0	-37.96	411.21	9.90	-28.06
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OCCC)=C1)C(=O)[O-]	REAL300012093538	0	52	0.0	-38.21	391.10	9.22	-28.99
CCCCC(C)([NH2+]CC1=CC=C(Br)S1)C(=O)[O-]	REAL300012093539	0	35	0.0	-34.60	300.90	8.13	-26.47
CCCCC(C)([NH2+]CC1=CC(Cl)=C(OC)C(OCC)=C1)C(=O)[O-]	REAL300012093540	0	49	0.0	-40.04	389.63	9.03	-31.01
CCCCC(C)([NH2+]CC1=CC(Cl)=C(OCC)C(OC)=C1)C(=O)[O-]	REAL300012093541	0	49	0.0	-40.11	389.63	9.06	-31.05
CCCCOC1=CC(C[NH2+]C(C)(CCCC)C(=O)[O-])=CC=C1OC	REAL300012093542	0	55	0.0	-38.13	412.60	10.01	-28.12
CCCCC(C)([NH2+]CC1=CC(Cl)=C(OCCC)C(OCC)=C1)C(=O)[O-]	REAL300012093543	0	55	0.0	-39.79	432.98	10.78	-29.01
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OC(F)F)=C1)C(=O)[O-]	REAL300012093544	0	46	0.0	-37.95	357.50	7.79	-30.16
CCCCC(C)([NH2+]CC1=CC=C(OC(F)F)C(OCC)=C1)C(=O)[O-]	REAL300012093545	0	49	0.0	-39.72	379.35	8.70	-31.02
CCCCC(C)([NH2+]CC1=CC(C)=C(OC(F)F)C(C)=C1)C(=O)[O-]	REAL300012093546	0	48	0.0	-36.92	366.40	9.27	-27.65
CCCCC(C)([NH2+]CC1=CSC(C2=CC=CC(Br)=C2)=N1)C(=O)[O-]	REAL300012093547	0	44	0.0	-34.81	375.22	9.68	-25.13
CCCCC(C)([NH2+]CC1=CC(OC)=C2OCCOC2=C1)C(=O)[O-]	REAL300012093548	0	48	0.0	-40.06	362.71	7.30	-32.76
CCCCC(C)([NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1)C(=O)[O-]	REAL300012093549	0	47	0.0	-40.41	383.56	9.70	-30.71
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012093550	0	45	0.0	-34.27	356.84	11.08	-23.19
CCCCC(C)([NH2+]CC1=CC(Cl)=C(OCCC)C(OC)=C1)C(=O)[O-]	REAL300012093551	0	52	0.0	-40.00	411.13	9.86	-30.14
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1)C(=O)[O-]	REAL300012093552	0	45	0.0	-38.01	364.03	10.35	-27.66
CCCCC(C)([NH2+]CC1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300012093553	1	50	0.0	-31.98	373.37	8.93	-23.05
CCCCC(C)([NH2+]CC1=CC2=CC(C)=C(C)C=C2O1)C(=O)[O-]	REAL300012093554	0	47	0.0	-35.75	355.26	10.00	-25.75
CCCCC(C)([NH2+]CC1=CC=C(OCC2=C(C)ON=C2C)C(OC)=C1)C(=O)[O-]	REAL300012093555	0	58	0.0	-43.47	446.79	10.25	-33.22
CCCCC(C)([NH2+]CC1=CC=C(N2C=CN=C2)C=C1)C(=O)[O-]	REAL300012093556	0	45	0.0	-41.47	344.95	10.69	-30.78
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=C2F)O1)C(=O)[O-]	REAL300012093557	0	45	0.0	-35.85	357.72	10.28	-25.57
CCCCC(C)([NH2+]CC1=CC(Cl)=C2OCCOC2=C1)C(=O)[O-]	REAL300012093558	0	44	0.0	-38.72	349.49	7.98	-30.74
CCCCC(C)([NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300012093559	0	51	0.0	-43.15	395.90	12.97	-30.18
CCCCC(C)([NH2+]CC1=CC=C(OCC2=CC=CS2)C(OC)=C1)C(=O)[O-]	REAL300012093560	0	53	0.0	-39.67	419.75	10.55	-29.12
CCCCC(C)([NH2+]CC1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300012093561	0	47	0.0	-39.21	367.96	8.76	-30.45
CCCCC(C)([NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C(=O)[O-]	REAL300012093562	0	52	0.0	-35.48	413.43	12.17	-23.31
CCCCC(C)([NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300012093563	0	47	0.0	-34.75	340.42	9.30	-25.45
CCCCC(C)([NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300012093564	0	45	0.0	-43.13	366.15	9.07	-34.06
CCCCC(C)([NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1)C(=O)[O-]	REAL300012093565	0	44	0.0	-41.80	365.22	8.85	-32.95
CCCCC(C)([NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1)C(=O)[O-]	REAL300012093566	0	44	0.0	-39.94	364.57	8.68	-31.26
CCCCC(C)([NH2+]CC1=C(O)C=CC(Cl)=C1F)C(=O)[O-]	REAL300012093567	1	39	0.0	-34.68	320.16	6.03	-28.65
CCCCC(C)([NH2+]CC1=NN(CC)C2=CC=CC=C21)C(=O)[O-]	REAL300012093568	0	47	0.0	-34.21	360.83	9.06	-25.15
CCCCC(C)([NH2+]CC1=CC(Br)=C(Cl)S1)C(=O)[O-]	REAL300012093569	0	35	0.0	-35.87	316.73	8.61	-27.26
CCCCC(C)([NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012093570	0	55	0.0	-46.41	424.54	13.26	-33.15
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(OC)C=C2[N+](=O)[O-])O1)C(=O)[O-]	REAL300012093571	0	51	0.0	-39.93	402.85	10.74	-29.19
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1)C(=O)[O-]	REAL300012093572	0	45	0.0	-36.44	381.21	11.13	-25.31
CCCCC(C)([NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012093573	0	51	0.0	-49.00	410.17	12.48	-36.52
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=C2)O1)C(=O)[O-]	REAL300012093574	0	45	0.0	-35.17	349.33	10.16	-25.01
CCCCC(C)([NH2+]CC1=CC=C(OC(C)C)C(OC)=C1)C(=O)[O-]	REAL300012093575	0	52	0.0	-38.22	387.57	9.04	-29.18
CCCCC(C)([NH2+]CC1=CC=C(OCCC)C(OCC)=C1)C(=O)[O-]	REAL300012093576	0	55	0.0	-38.12	412.95	10.15	-27.97
CCCCC(C)([NH2+]CC1=CC=C(Br)C(Br)=C1)C(=O)[O-]	REAL300012093577	0	38	0.0	-38.15	329.26	9.47	-28.68
CCCCCCCOC1=CC=C(C[NH2+]C(C)(CCCC)C(=O)[O-])C=C1	REAL300012093578	0	60	0.0	-35.12	447.85	12.46	-22.66
CCCCC(C)([NH2+]CC(C)CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300012093579	0	59	0.0	-34.24	422.00	12.66	-21.58
CCCCC(C)([NH2+]CC1=C(Br)C=CS1)C(=O)[O-]	REAL300012093580	0	35	0.0	-29.81	298.68	7.94	-21.87
CCCCC(C)([NH2+]CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300012093581	0	38	0.0	-31.75	311.68	8.92	-22.83
CCCCC(C)([NH2+]CC1=CC=CC(C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300012093582	0	51	0.0	-35.28	384.69	12.36	-22.92
CCCCC(C)([NH2+]CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300012093583	0	42	0.0	-31.29	333.90	8.18	-23.11
CCCCC(C)([NH2+]CC1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012093584	0	44	0.0	-47.49	344.52	9.04	-38.45
CCCCC(C)([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012093585	0	38	0.0	-36.42	322.53	9.29	-27.13
CCCCC(C)([NH2+]CC1=CC(Br)=CO1)C(=O)[O-]	REAL300012093586	0	35	0.0	-35.04	291.53	7.04	-28.00
CCCCC(C)([NH2+]CC1=CC=CC(C2=CC=CC=C2C)=C1)C(=O)[O-]	REAL300012093587	0	51	0.0	-34.50	385.07	12.38	-22.12
CCCCC(C)([NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012093588	0	44	0.0	-40.14	366.87	10.28	-29.86
CCCCC(C)([NH2+]CC1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300012093589	0	42	0.0	-37.60	328.34	7.86	-29.74
CCCCC(C)([NH2+]CC1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300012093590	0	52	0.0	-38.36	391.45	9.34	-29.02
CCCCC(C)([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300012093591	0	41	0.0	-40.55	340.89	9.72	-30.83
CCCCC(C)([NH2+]CC1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300012093592	0	38	0.0	-33.83	311.68	8.92	-24.91
CCCCC(C)([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300012093593	0	42	0.0	-36.90	335.08	8.07	-28.83
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=C2OC)C=C1)C(=O)[O-]	REAL300012093594	0	52	0.0	-35.86	397.21	11.37	-24.49
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)C(=O)[O-]	REAL300012093595	0	48	0.0	-37.11	388.36	11.17	-25.94
CCCCC(C)([NH2+]CC1=CC=C(OC)C(O)=C1Br)C(=O)[O-]	REAL300012093596	0	43	0.0	-35.54	344.63	6.01	-29.53
CCCCC(C)([NH2+]CC1=CSC(Br)=C1)C(=O)[O-]	REAL300012093597	0	35	0.0	-35.61	300.74	7.96	-27.65
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OCC2=CC=CN=C2)=C1)C(=O)[O-]	REAL300012093598	0	55	0.0	-42.36	424.34	9.69	-32.67
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1)C(=O)[O-]	REAL300012093599	0	45	0.0	-36.33	388.72	12.05	-24.28
CCCCC(C)([NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012093600	0	48	0.0	-35.41	363.29	11.68	-23.73
CCCCC(C)([NH2+]CC1=CC=C(N2CCCC2)N=C1)C(=O)[O-]	REAL300012093601	0	49	0.0	-37.51	362.92	8.22	-29.29
CCCCC(C)([NH2+]CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300012093602	0	38	0.0	-39.25	316.00	8.97	-30.28
CCCCC(C)([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012093603	0	47	0.0	-35.52	360.81	10.15	-25.37
CCCCC(C)([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C(=O)[O-]	REAL300012093604	0	47	0.0	-37.45	358.23	9.95	-27.50
CCCCC(C)([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C(=O)[O-]	REAL300012093605	0	47	0.0	-38.29	358.50	9.93	-28.36
CCCCC(C)([NH2+]CC1=CC=C(N2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012093606	1	55	0.0	-34.37	398.30	6.98	-27.39
CCCCC(C)([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C(=O)[O-]	REAL300012093607	0	47	0.0	-39.64	370.09	6.81	-32.83
CCCCC(C)([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300012093608	0	45	0.0	-40.56	354.24	9.59	-30.97
CCCCC(C)([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300012093609	0	45	0.0	-39.96	364.56	10.04	-29.92
CCCCC(C)([NH2+]CC1=C(Cl)N=C(SC2=CC=CC=C2)S1)C(=O)[O-]	REAL300012093610	0	45	0.0	-33.52	392.84	10.23	-23.29
CCCCC(C)([NH2+]CC1=CC(C)=C(OCC2=CC=CC=N2)C(C)=C1)C(=O)[O-]	REAL300012093611	0	57	0.0	-37.70	434.92	11.37	-26.33
CCCCC(C)([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300012093612	0	45	0.0	-38.19	359.93	9.00	-29.19
CCCCC(C)([NH2+]CC1=CC=C(OCC2=CC=CC=C2)C(OCC)=C1)C(=O)[O-]	REAL300012093613	0	59	0.0	-39.69	451.36	12.40	-27.29
CCCCC(C)([NH2+]CC1=CC2=CC=CC(OC)=C2O1)C(=O)[O-]	REAL300012093614	0	45	0.0	-38.01	346.45	8.09	-29.92
CCCCC(C)([NH2+]CC1=CC=C(C(C)C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012093615	0	49	0.0	-44.37	376.46	10.78	-33.59
CCCCC(C)([NH2+]CC1=CC(Br)=C2OCOC2=C1)C(=O)[O-]	REAL300012093616	0	41	0.0	-40.31	336.44	7.55	-32.76
CCCCC(C)([NH2+]CC1=CC=C(OCC(C)C)C(OCC)=C1)C(=O)[O-]	REAL300012093617	0	58	0.0	-37.87	433.05	10.83	-27.04
CCCCC(C)([NH2+]CC1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300012093618	0	38	0.0	-32.86	315.86	8.94	-23.92
CCCCC(C)([NH2+]CC1=CC(OC)=C(OC)C=C1Br)C(=O)[O-]	REAL300012093619	0	46	0.0	-34.87	363.11	8.09	-26.78
CCCCC(C)([NH2+]CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300012093620	0	38	0.0	-34.97	315.87	8.95	-26.02
CCCCC(C)([NH2+]CC1=CC2=CC=C(OC)C=C2C=C1)C(=O)[O-]	REAL300012093621	0	48	0.0	-37.82	364.45	9.85	-27.97
CCCCC(C)([NH2+]CC1=CC(Br)=CS1)C(=O)[O-]	REAL300012093622	0	35	0.0	-33.72	300.69	8.04	-25.68
CCCCOC1=CC=C(C[NH2+]C(C)(CCCC)C(=O)[O-])C=C1OCC	REAL300012093623	0	58	0.0	-38.06	434.45	10.93	-27.13
CCCCC(C)([NH2+]CC1=CC=C(CSC(F)F)O1)C(=O)[O-]	REAL300012093624	0	42	0.0	-35.93	349.52	8.87	-27.06
CCCCC(C)([NH2+]CC1=CC2=CC=CC=C2NC1=O)C(=O)[O-]	REAL300012093625	0	44	0.0	-38.04	339.35	7.36	-30.68
CCCCC(C)([NH2+]CC1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300012093627	0	38	0.0	-39.17	316.01	8.96	-30.21
CCCCC(C)([NH2+]CC1=CC=C(OCC2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300012093628	0	55	0.0	-36.75	421.67	12.26	-24.49
CCCCC(C)([NH2+]CC1=CC=C(N2CCCCC2)C=C1)C(=O)[O-]	REAL300012093629	0	53	0.0	-33.44	381.93	9.58	-23.86
CCCCCCOC1=CC=CC(C[NH2+]C(C)(CCCC)C(=O)[O-])=C1	REAL300012093630	0	57	0.0	-34.27	426.43	11.64	-22.63
CCCCC(C)([NH2+]CC1=CC=C(SC)C(OC)=C1)C(=O)[O-]	REAL300012093631	0	46	0.0	-38.25	357.91	8.65	-29.60
CCCCC(C)([NH2+]CC1=CC=CC(OCCCC#N)=C1)C(=O)[O-]	REAL300012093632	0	49	0.0	-41.37	382.78	9.82	-31.55
CCCCCOC1=CC(C[NH2+]C(C)(CCCC)C(=O)[O-])=CC=C1OC	REAL300012093633	0	58	0.0	-38.08	434.10	10.79	-27.29
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OC(C)CC)=C1)C(=O)[O-]	REAL300012093634	0	55	0.0	-37.99	408.37	9.81	-28.18
CCCCCCCOC1=CC=CC(C[NH2+]C(C)(CCCC)C(=O)[O-])=C1	REAL300012093635	0	60	0.0	-34.23	447.93	12.43	-21.80
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OCCCC#N)=C1)C(=O)[O-]	REAL300012093636	0	53	0.0	-47.01	411.96	9.74	-37.27
C=C(C)COC1=CC(C[NH2+]C(C)(CCCC)C(=O)[O-])=CC=C1OC	REAL300012093637	0	53	0.0	-38.89	401.92	9.78	-29.11
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OCCC(C)C)=C1)C(=O)[O-]	REAL300012093638	0	58	0.0	-38.00	430.17	10.53	-27.47
C=CCC1=CC(C[NH2+]C(C)(CCCC)C(=O)[O-])=CC(OC)=C1O	REAL300012093639	0	50	0.0	-38.81	383.93	7.42	-31.39
CCCCC(C)([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C(=O)[O-]	REAL300012093640	0	45	0.0	-40.39	348.39	8.23	-32.16
CCCCC(C)([NH2+]CC1=CC=C(OCC(F)(F)F)C(OCC)=C1)C(=O)[O-]	REAL300012093641	0	52	0.0	-41.50	411.02	9.81	-31.69
CCCCC(C)([NH2+]CC1=CN(C2=CC=CC=C2)N=N1)C(=O)[O-]	REAL300012093642	0	44	0.0	-39.94	341.99	8.11	-31.83
CCCCC(C)([NH2+]CC1=NC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300012093643	1	44	0.0	-34.87	352.19	9.06	-25.81
CCCCC(C)([NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1)C(=O)[O-]	REAL300012093644	0	51	0.0	-38.37	376.19	7.12	-31.25
C=CCOC1=CC=C(C[NH2+]C(C)(CCCC)C(=O)[O-])C=C1Cl	REAL300012093645	0	46	0.0	-38.03	369.28	9.67	-28.36
CCCCC(C)([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300012093646	0	44	0.0	-35.94	354.03	9.33	-26.61
CCCCC(C)([NH2+]CC1=CC(OC)=CC2=C1OC(C)C2)C(=O)[O-]	REAL300012093647	0	50	0.0	-32.15	375.45	8.17	-23.98
CCCCC(C)([NH2+]CC1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300012093648	0	49	0.0	-36.50	366.50	9.52	-26.98
CCCCC(C)([NH2+]CC1=COC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300012093649	1	44	0.0	-36.44	345.74	6.71	-29.73
CCCCC(C)([NH2+]CC1=CSC(C2=CC=CS2)=N1)C(=O)[O-]	REAL300012093650	0	41	0.0	-34.19	345.55	8.10	-26.09
CCCCC(C)([NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012093651	0	41	0.0	-38.35	344.53	9.76	-28.59
CCCCC(C)([NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012093652	0	41	0.0	-38.31	349.10	9.87	-28.44
CCCCC(C)([NH2+]CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300012093653	0	38	0.0	-33.66	323.00	9.36	-24.30
CCCCC(C)([NH2+]CC1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300012093654	0	41	0.0	-31.42	325.79	9.57	-21.85
CCCCC(C)([NH2+]CC1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300012093655	0	51	0.0	-35.05	381.95	10.03	-25.02
CCCCC(C)([NH2+]CC1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300012093656	0	49	0.0	-37.61	373.98	7.80	-29.81
CCCCC(C)([NH2+]CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1)C(=O)[O-]	REAL300012093657	0	53	0.0	-38.13	417.74	12.00	-26.13
CCCCC(C)([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300012093658	0	42	0.0	-39.04	344.28	8.43	-30.61
CCCCC(C)([NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)C(=O)[O-]	REAL300012093659	0	46	0.0	-39.25	382.12	9.73	-29.52
CCCCC(C)([NH2+]CC1=CC2=C(C=C1OC)OCO2)C(=O)[O-]	REAL300012093660	0	45	0.0	-35.23	343.17	6.32	-28.91
CCCCC(C)([NH2+]CC1=CC=CC(OCC(C)C)=C1)C(=O)[O-]	REAL300012093661	0	51	0.0	-34.07	382.04	10.00	-24.07
CCCCC(C)([NH2+]CC1=CN=CC(Br)=C1)C(=O)[O-]	REAL300012093662	0	37	0.0	-37.61	305.16	7.13	-30.48
CCCCC(C)([NH2+]CC1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300012093663	0	49	0.0	-30.84	366.22	9.50	-21.34
CCCCC(C)([NH2+]CC1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300012093664	0	43	0.0	-32.55	346.06	8.75	-23.80
CCCCC(C)([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C(=O)[O-]	REAL300012093665	0	45	0.0	-38.30	347.44	9.47	-28.83
CCCCC(C)([NH2+]CC1=CC(C)=C(Br)S1)C(=O)[O-]	REAL300012093666	0	38	0.0	-34.56	320.49	8.74	-25.82
CCCCC(C)([NH2+]CC1=CC=C(Br)C2=CC=CN=C12)C(=O)[O-]	REAL300012093667	0	43	0.0	-33.99	347.29	9.35	-24.64
CCCCC(C)([NH2+]CC1=CC2=CC=C(C)N=C2C=C1)C(=O)[O-]	REAL300012093668	0	46	0.0	-39.97	351.70	9.27	-30.70
CCCCC(C)([NH2+]CC1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300012093669	0	53	0.0	-39.31	408.15	10.48	-28.83
CCCCC(C)([NH2+]CC1=CC=C(C2=CC(C)=CC(C)=C2)C=C1)C(=O)[O-]	REAL300012093670	0	54	0.0	-35.67	406.01	13.05	-22.62
CCCCC(C)([NH2+]CC1=CC=C(N2C=NC=N2)C(C)=C1)C(=O)[O-]	REAL300012093671	0	47	0.0	-41.88	363.79	11.85	-30.03
CCCCC(C)([NH2+]CC1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300012093672	0	45	0.0	-40.10	353.36	8.85	-31.25
CCCCC(C)([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1C)C(=O)[O-]	REAL300012093673	0	48	0.0	-39.37	384.12	10.62	-28.75
CCCCC(C)([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300012093674	0	52	0.0	-36.48	406.76	11.63	-24.85
CCCCC(C)([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012093675	0	49	0.0	-37.17	389.66	12.38	-24.79
CCCCC(C)([NH2+]CC1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300012093676	0	49	0.0	-36.96	362.54	8.11	-28.85
CCCCC(C)([NH2+]CC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1)C(=O)[O-]	REAL300012093677	0	44	0.0	-33.99	385.73	10.21	-23.78
CCCCC(C)([NH2+]CC1=NC2=CC(Cl)=CC=C2N1C)C(=O)[O-]	REAL300012093678	0	44	0.0	-38.66	352.30	9.14	-29.52
CCCCC(C)([NH2+]CC1=CC=C(Br)C=C1SC)C(=O)[O-]	REAL300012093679	0	42	0.0	-32.24	346.00	9.84	-22.40
CCCCC(C)([NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300012093680	0	48	0.0	-40.47	379.66	10.04	-30.43
CCCCC(C)([NH2+]CC1=NC2=C(CC(C)CC2)S1)C(=O)[O-]	REAL300012093681	1	47	0.0	-32.15	358.39	8.63	-23.52
CCCCC(C)([NH2+]CC1=CC=C(OC(F)F)C(Br)=C1)C(=O)[O-]	REAL300012093682	0	42	0.0	-38.92	348.67	8.55	-30.37
CCCCC(C)([NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1)C(=O)[O-]	REAL300012093683	0	51	0.0	-40.84	411.98	10.98	-29.86
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1OC)C(=O)[O-]	REAL300012093684	0	52	0.0	-33.18	391.32	11.08	-22.10
CCCCC(C)([NH2+]CC1=CC(C2=CC=NC=C2)=CC=C1OC)C(=O)[O-]	REAL300012093685	0	51	0.0	-35.77	386.45	9.32	-26.45
CCCCC(C)([NH2+]CC1=CC=C(OCC2CC2)C=C1)C(=O)[O-]	REAL300012093686	0	49	0.0	-35.44	372.03	10.11	-25.33
CCCCC(C)([NH2+]CC1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300012093687	0	42	0.0	-33.84	346.35	8.63	-25.21
CCCCC(C)([NH2+]CC1=CN=C(C2=CC=CS2)S1)C(=O)[O-]	REAL300012093688	0	41	0.0	-35.87	345.90	8.40	-27.47
CCCCC(C)([NH2+]CC1=CN=C(C2=CSC=C2)S1)C(=O)[O-]	REAL300012093689	0	41	0.0	-35.65	345.16	8.28	-27.37
CCCCC(C)([NH2+]CC1=CN=C(C2=CC=C(C)O2)S1)C(=O)[O-]	REAL300012093690	0	44	0.0	-37.54	358.70	8.23	-29.31
CCCCC(C)([NH2+]CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300012093691	0	41	0.0	-34.49	325.08	9.53	-24.96
CCCCC(C)([NH2+]CC1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300012093692	0	38	0.0	-38.17	325.12	9.38	-28.79
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)C(=O)[O-]	REAL300012093693	0	47	0.0	-37.99	362.86	10.01	-27.98
CCCCC(C)([NH2+]CC1=NC=C(Br)C=C1Br)C(=O)[O-]	REAL300012093694	0	37	0.0	-29.36	323.52	7.55	-21.81
CCCCC(C)([NH2+]CC1=C(Cl)OC2=CC=CC=C21)C(=O)[O-]	REAL300012093695	0	41	0.0	-32.88	333.20	9.23	-23.65
CCCCC(C)([NH2+]CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300012093696	0	38	0.0	-33.19	322.02	9.36	-23.83
CCCCC(C)([NH2+]CC1=CC=CC(Br)=C1OC)C(=O)[O-]	REAL300012093697	0	42	0.0	-28.48	333.38	8.36	-20.12
CCCCC(C)([NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1C)C(=O)[O-]	REAL300012093698	0	48	0.0	-39.37	388.70	10.72	-28.65
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1)C(=O)[O-]	REAL300012093699	0	45	0.0	-36.15	355.73	10.23	-25.92
CCCCC(C)([NH2+]CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012093700	0	38	0.0	-35.38	310.37	8.89	-26.49
CCCCC(C)([NH2+]CC1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012093701	0	45	0.0	-39.63	347.83	9.52	-30.11
CCCCC(C)([NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1)C(=O)[O-]	REAL300012093702	0	48	0.0	-36.81	387.66	10.39	-26.42
CCCCC(C)([NH2+]CC1=CC=C(N(CC)CC)C=C1)C(=O)[O-]	REAL300012093703	0	52	0.0	-32.68	384.13	10.61	-22.07
CCCCC(C)([NH2+]CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012093704	0	38	0.0	-36.11	310.29	8.93	-27.18
CCCCC(C)([NH2+]CC1=CC(OC)=C(OC)C(OC)=C1)C(=O)[O-]	REAL300012093705	0	50	0.0	-41.43	380.99	7.39	-34.04
CCCCC(C)([NH2+]CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300012093706	0	38	0.0	-33.64	318.44	9.26	-24.38
CCCCC(C)([NH2+]CC1=CC=C(N2CCOCC2)C=C1)C(=O)[O-]	REAL300012093707	0	51	0.0	-35.48	373.08	7.11	-28.37
CCCCC(C)([NH2+]CC1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300012093708	0	41	0.0	-38.08	327.72	9.31	-28.77
CCCCC(C)([NH2+]CC1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300012093709	0	38	0.0	-34.38	316.91	9.20	-25.18
CCCCC(C)([NH2+]CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300012093710	0	38	0.0	-38.25	320.91	9.28	-28.97
CCCCC(C)([NH2+]CC1=CC=C(N(CC)CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012093711	0	59	0.0	-33.70	439.05	13.43	-20.27
CCCCC(C)([NH2+]CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012093712	0	42	0.0	-37.55	328.25	7.89	-29.66
CCCCOC1=CC=C(C[NH2+]C(C)(CCCC)C(=O)[O-])C=C1	REAL300012093713	0	51	0.0	-35.20	383.35	10.11	-25.09
CCCCC(C)([NH2+]CC1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300012093714	0	54	0.0	-35.14	400.91	10.64	-24.50
CCCCCCOC1=CC=C(C[NH2+]C(C)(CCCC)C(=O)[O-])C=C1	REAL300012093715	0	57	0.0	-35.23	426.35	11.68	-23.55
CCCCC(C)([NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012093716	0	49	0.0	-36.97	378.29	11.17	-25.80
CCCCC(C)([NH2+]CC1=CC=C(OCC)C(OC)=C1)C(=O)[O-]	REAL300012093717	0	49	0.0	-38.46	369.60	8.42	-30.04
CCCCC(C)([NH2+]CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012093718	0	41	0.0	-37.18	328.05	9.33	-27.85
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OC)=C1OC)C(=O)[O-]	REAL300012093719	0	50	0.0	-37.51	380.95	7.50	-30.01
CCCCC(C)([NH2+]CC1=CC=C(OCC2=CC=CC=C2)C(OC)=C1)C(=O)[O-]	REAL300012093720	0	56	0.0	-39.81	429.51	11.48	-28.33
CCCCC(C)([NH2+]CC1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300012093721	0	42	0.0	-31.83	338.44	8.28	-23.55
CCCCC(C)([NH2+]CC1=CC(Br)=C(O)C(OC)=C1)C(=O)[O-]	REAL300012093722	0	43	0.0	-39.96	349.74	6.04	-33.92
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012093723	0	48	0.0	-35.55	363.21	11.72	-23.83
CCCCC(C)([NH2+]CC1=CC(OC)=C(OC)C=C1OC)C(=O)[O-]	REAL300012093724	0	50	0.0	-35.43	375.82	6.86	-28.57
CCCCC(C)([NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012093725	0	52	0.0	-35.65	400.34	11.56	-24.09
CCCCC(C)([NH2+]CC1=CC=CC=C1Br)C(=O)[O-]	REAL300012093726	0	38	0.0	-31.50	304.46	8.89	-22.61
CCCCC(C)([NH2+]CC1=CN(C2=CC=C(Br)C=C2)N=C1)C(=O)[O-]	REAL300012093727	0	45	0.0	-40.02	369.12	10.14	-29.88
CCCCC(C)([NH2+]CC1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300012093728	0	41	0.0	-42.62	331.21	7.48	-35.14
CCCCC(C)([NH2+]CC1=CC=CC=C1I)C(=O)[O-]	REAL300012093729	0	38	0.0	-30.79	309.75	9.33	-21.46
CCCCC(C)([NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012093730	0	55	0.0	-44.70	412.00	11.55	-33.15
CCCCC(C)([NH2+]CC1=CC=C(N(C)CCC#N)C=C1)C(=O)[O-]	REAL300012093731	0	50	0.0	-37.91	382.92	10.15	-27.76
CCCCC(C)([NH2+]CC1=CC=CC(OCC)=C1OC)C(=O)[O-]	REAL300012093732	0	49	0.0	-27.69	368.48	8.41	-19.28
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OCC(N)=O)=C1)C(=O)[O-]	REAL300012093733	0	50	0.0	-50.14	386.33	5.46	-44.68
CCCCC(C)([NH2+]CC1=CC=C(OCC(=O)NCC)C(OC)=C1)C(=O)[O-]	REAL300012093734	0	56	0.0	-48.61	429.75	7.75	-40.86
CCCCC(C)([NH2+]CC1=CC(OC)=C2OCOC2=C1)C(=O)[O-]	REAL300012093735	0	45	0.0	-42.08	344.67	6.22	-35.86
CCCCC(C)([NH2+]CC1=NN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012093736	0	44	0.0	-37.96	343.51	8.06	-29.90
CCCCC(C)([NH2+]CC1=CC2=C(C=C1OC)CC(C)O2)C(=O)[O-]	REAL300012093737	0	50	0.0	-32.33	374.18	8.26	-24.07
CCCCC(C)([NH2+]CC1=CC(OC)=C(OCC(N)=O)C(OC)=C1)C(=O)[O-]	REAL300012093738	0	54	0.0	-50.27	419.57	5.24	-45.03
CCCCC(C)([NH2+]CC1=CC(Cl)=C(OCC(N)=O)C(OC)=C1)C(=O)[O-]	REAL300012093739	0	50	0.0	-49.12	406.36	6.08	-43.04
CCCCC(C)([NH2+]CC1=CSC(N(CC)C(C)=O)=N1)C(=O)[O-]	REAL300012093740	0	47	0.0	-40.14	367.78	8.10	-32.04
CCCCC(C)([NH2+]CC1=CC=CC(I)=C1)C(=O)[O-]	REAL300012093741	0	38	0.0	-35.15	316.86	9.37	-25.78
CCCCC(C)([NH2+]CC1=CC=C(I)C=C1)C(=O)[O-]	REAL300012093742	0	38	0.0	-35.91	316.78	9.41	-26.50
CCCCC(C)([NH2+]CC1=CC(Br)=CC(Br)=C1)C(=O)[O-]	REAL300012093743	0	38	0.0	-36.36	331.66	9.49	-26.87
CCCCC(C)([NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300012093744	0	44	0.0	-45.20	349.68	5.83	-39.37
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300012093745	0	48	0.0	-36.24	379.93	12.24	-24.00
CCCCC(C)([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012093746	0	51	0.0	-37.01	393.03	9.88	-27.13
CCCCC(C)([NH2+]CC1=CC=C(Br)C=N1)C(=O)[O-]	REAL300012093747	0	37	0.0	-34.78	305.36	7.06	-27.72
CCCCC(C)([NH2+]CC1=CN=C(N2CCOCC2)S1)C(=O)[O-]	REAL300012093748	0	47	0.0	-36.60	362.68	5.62	-30.98
C#CCCOC1=CC=C(C[NH2+]C(C)(CCCC)C(=O)[O-])C=C1	REAL300012093749	0	47	0.0	-36.15	367.63	9.86	-26.29
CCCCC(C)([NH2+]CC1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300012093750	0	46	0.0	-43.76	355.34	8.00	-35.76
CCCCC(C)([NH2+]CC1=CSC(N(C(C)=O)C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300012093751	0	51	0.0	-39.36	413.07	10.57	-28.79
CCCCC(C)([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C(=O)[O-]	REAL300012093752	0	41	0.0	-35.57	332.77	9.28	-26.29
CCCCC(C)([NH2+]CC1=CC=C(OCC2=CN3C=CC=C(C)C3=N2)C=C1)C(=O)[O-]	REAL300012093753	0	58	0.0	-41.76	447.60	12.71	-29.05
CCCCC(C)([NH2+]CC1=CC=C(OC)C(COCC)=C1)C(=O)[O-]	REAL300012093754	0	52	0.0	-34.69	392.59	8.52	-26.17
CCCCC(C)([NH2+]CC1=NC=CN1CC(F)(F)F)C(=O)[O-]	REAL300012093755	0	41	0.0	-34.67	326.27	7.76	-26.91
CCCCC(C)([NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1)C(=O)[O-]	REAL300012093756	0	47	0.0	-36.94	379.97	7.74	-29.20
CCCCC(C)([NH2+]CC1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300012093757	0	41	0.0	-32.72	343.15	9.88	-22.84
CCCCC(C)([NH2+]CC1=CSC=C1Br)C(=O)[O-]	REAL300012093758	0	35	0.0	-31.36	297.30	7.82	-23.54
CCCCC(C)([NH2+]CC1=CC(F)=CC(Br)=C1)C(=O)[O-]	REAL300012093759	0	38	0.0	-37.16	316.77	8.95	-28.21
CCCCC(C)([NH2+]CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300012093760	0	38	0.0	-34.86	311.02	8.89	-25.97
CCCCC(C)([NH2+]CC1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300012093761	0	38	0.0	-35.88	315.17	8.94	-26.94
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OC)=C1C)C(=O)[O-]	REAL300012093762	0	49	0.0	-36.63	362.82	8.19	-28.44
CCCCC(C)([NH2+]CC1=CSC(Cl)=C1Cl)C(=O)[O-]	REAL300012093763	0	35	0.0	-34.37	309.97	8.30	-26.07
CCCCC(C)([NH2+]CC1=CN=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012093764	0	37	0.0	-39.64	315.07	6.71	-32.93
CCCCC(C)([NH2+]CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300012093765	0	44	0.0	-44.63	349.69	5.82	-38.81
CCCCC(C)([NH2+]CC1=CC=C(C2CCCC2)C=C1)C(=O)[O-]	REAL300012093766	0	51	0.0	-32.81	372.54	11.50	-21.31
CCCCC(C)([NH2+]CC1=CC2=CC=CC=C2C(OC)=C1)C(=O)[O-]	REAL300012093767	0	48	0.0	-36.98	363.55	9.87	-27.11
CCCCC(C)([NH2+]CC1=CC=CC2=C(OC)C=CC=C12)C(=O)[O-]	REAL300012093768	0	48	0.0	-35.70	358.34	9.79	-25.91
CCCCC(C)([NH2+]CC1=NC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012093769	0	37	0.0	-35.60	314.39	6.62	-28.98
CCCCC(C)([NH2+]CC1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300012093770	0	42	0.0	-33.33	334.77	8.13	-25.20
CCCCC(C)([NH2+]CC1=C(Br)C=C(C)S1)C(=O)[O-]	REAL300012093771	0	38	0.0	-29.40	320.54	8.75	-20.65
CCCCC(C)([NH2+]CC1=CC=CC(C(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012093772	0	53	0.0	-38.18	398.78	10.98	-27.20
CCCCC(C)([NH2+]CC1=CC=C2C(=C1)CCC(=O)N2C)C(=O)[O-]	REAL300012093773	0	49	0.0	-41.89	365.79	9.20	-32.69
CCCCC(C)([NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1)C(=O)[O-]	REAL300012093774	0	44	0.0	-36.12	370.75	9.85	-26.27
CCCCC(C)([NH2+]CC1=CN=C(C2=CC=CC=C2F)S1)C(=O)[O-]	REAL300012093775	0	44	0.0	-38.49	358.53	9.57	-28.92
CCCCC(C)([NH2+]CC1=CC(OC)=C(OCC(F)F)C(OC)=C1)C(=O)[O-]	REAL300012093776	0	53	0.0	-45.11	415.85	8.64	-36.47
CCCCC(C)([NH2+]CC1=CC=NC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300012093777	0	43	0.0	-41.41	345.88	9.28	-32.13
CCCCC(C)([NH2+]CC1=CN=C(C2CCCC2)S1)C(=O)[O-]	REAL300012093778	0	47	0.0	-34.24	360.91	8.93	-25.31
CCCCC(C)([NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300012093779	0	44	0.0	-37.84	362.18	9.55	-28.29
CCCCC(C)([NH2+]CC1=CN=C(C2=CC=CO2)S1)C(=O)[O-]	REAL300012093780	0	41	0.0	-37.72	336.80	7.41	-30.31
CCCCC(C)([NH2+]CC1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300012093781	0	38	0.0	-38.20	325.13	9.38	-28.82
CCCCC(C)([NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1)C(=O)[O-]	REAL300012093782	0	50	0.0	-35.98	398.59	10.82	-25.16
CCCCC(C)([NH2+]CC1=CC=C(OC(F)(F)F)C(Br)=C1)C(=O)[O-]	REAL300012093783	0	42	0.0	-38.99	355.41	8.76	-30.23
CCCCC(C)([NH2+]CC1=CC=C(C2=CN(C)N=C2)C=C1)C(=O)[O-]	REAL300012093784	0	48	0.0	-38.86	369.12	9.61	-29.25
CCCCC(C)([NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300012093785	0	49	0.0	-37.80	385.04	11.26	-26.54
CCCCC(C)([NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012093786	0	52	0.0	-40.08	397.40	10.74	-29.34
CCCCC(C)([NH2+]CC1=CN=C(C2CCCO2)S1)C(=O)[O-]	REAL300012093787	0	45	0.0	-37.19	353.06	6.51	-30.68
CCCCC(C)([NH2+]CC1=CN(C2=CC=CC=C2C)N=N1)C(=O)[O-]	REAL300012093788	0	47	0.0	-39.54	357.90	8.87	-30.67
CCCCC(C)([NH2+]CC1=CC(Br)=NN1C)C(=O)[O-]	REAL300012093789	0	38	0.0	-39.93	311.33	6.37	-33.56
CCCCC(C)([NH2+]CC1=CC=C(C2=CN(C)N=C2)S1)C(=O)[O-]	REAL300012093790	0	45	0.0	-37.21	362.95	8.99	-28.22
CCCCC(C)([NH2+]CC1=CC=C2OCCCCOC2=C1)C(=O)[O-]	REAL300012093791	0	50	0.0	-37.68	368.16	9.18	-28.50
CCCCC(C)([NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C(=O)[O-]	REAL300012093792	0	38	0.0	-38.07	321.89	9.29	-28.78
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=C2Br)C=C1)C(=O)[O-]	REAL300012093793	0	48	0.0	-35.15	385.63	12.36	-22.79
CCCCC(C)([NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)C(=O)[O-]	REAL300012093794	0	48	0.0	-40.99	386.57	10.49	-30.50
CCCCC(C)([NH2+]CC1=CC(Cl)=C(C)C=C1Br)C(=O)[O-]	REAL300012093795	0	41	0.0	-31.22	339.87	9.98	-21.24
CCCCC(C)([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012093796	0	48	0.0	-34.66	388.23	10.28	-24.38
CCCCC(C)([NH2+]CC1=CC(C(=O)OC)=C(C)N1C)C(=O)[O-]	REAL300012093797	0	48	0.0	-40.67	367.07	8.80	-31.87
CCCCC(C)([NH2+]CC1=CC=C(COCCOC)C=C1)C(=O)[O-]	REAL300012093798	0	52	0.0	-36.42	399.54	8.27	-28.15
CCCCC(C)([NH2+]CC1=NC=C(CSC)S1)C(=O)[O-]	REAL300012093799	1	41	0.0	-33.41	340.46	7.47	-25.94
CCCCC(C)([NH2+]CC1=C(C)C2=CC=CC(Cl)=C2S1)C(=O)[O-]	REAL300012093800	0	44	0.0	-34.74	359.48	10.86	-23.88
CCCCC(C)([NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012093801	0	52	0.0	-41.35	412.51	10.68	-30.67
CCCCC(C)([NH2+]CC1=CC=C(F)C=C1I)C(=O)[O-]	REAL300012093802	0	38	0.0	-33.03	317.00	9.36	-23.67
CCCCC(C)([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300012093803	0	41	0.0	-42.12	328.59	7.40	-34.72
CCCCC(C)([NH2+]CC1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300012093804	0	37	0.0	-35.17	317.24	7.52	-27.65
CCCCC(C)([NH2+]CC1=CC(OC(F)F)=CC=C1Br)C(=O)[O-]	REAL300012093805	0	42	0.0	-34.08	343.66	8.45	-25.63
CCCCC(C)([NH2+]CC1=CN=C(C2=CC=C(C)C(C)=C2)S1)C(=O)[O-]	REAL300012093806	0	50	0.0	-35.98	392.39	10.53	-25.45
CCCCC(C)([NH2+]CC1=CN(C2=CC=CC=C2F)N=C1C)C(=O)[O-]	REAL300012093807	0	48	0.0	-43.21	372.63	10.19	-33.02
CCCCC(C)([NH2+]CC1=CN(C2=CC=CC=C2Br)N=C1C)C(=O)[O-]	REAL300012093808	0	48	0.0	-40.40	383.98	10.88	-29.52
CCCCC(C)([NH2+]CC1=CN(C2=CC=CC=C2Cl)N=C1C)C(=O)[O-]	REAL300012093809	0	48	0.0	-40.88	380.34	10.74	-30.14
CCCCC(C)([NH2+]CC1=CN(C2=CC=C(C)C=C2)N=C1C)C(=O)[O-]	REAL300012093810	0	51	0.0	-38.89	388.81	10.78	-28.11
CCCCC(C)([NH2+]CC1=CN(C2=CC=CC(Br)=C2)N=C1C)C(=O)[O-]	REAL300012093811	0	48	0.0	-37.73	388.77	10.73	-27.00
CCCCC(C)([NH2+]CC1=CC=C(C(C)(C)C#N)C=C1)C(=O)[O-]	REAL300012093812	0	48	0.0	-38.09	365.63	10.26	-27.83
CCCCC(C)([NH2+]CC1=CC(F)=C(OC)C=C1OC)C(=O)[O-]	REAL300012093813	0	46	0.0	-35.67	352.84	7.04	-28.63
CCCCC(C)([NH2+]CC1=CC(OC)=C(OC)C=C1F)C(=O)[O-]	REAL300012093814	0	46	0.0	-36.54	352.20	7.56	-28.98
CCCCC(C)([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1)C(=O)[O-]	REAL300012093815	0	52	0.0	-35.78	410.39	11.82	-23.96
CCCCC(C)([NH2+]CC1=CN(C2=CC=CC(C)=C2)N=C1C)C(=O)[O-]	REAL300012093816	0	51	0.0	-39.00	388.95	10.77	-28.23
CCCCC(C)([NH2+]CC1=CC=C(OCCC)C=C1C)C(=O)[O-]	REAL300012093817	0	51	0.0	-33.95	376.62	9.94	-24.01
CCCCC(C)([NH2+]CC1=CC2=CC(Br)=CC=C2O1)C(=O)[O-]	REAL300012093818	0	41	0.0	-36.54	338.25	9.42	-27.12
CCCCC(C)([NH2+]CC1=CC2=CC=CC(CC)=C2O1)C(=O)[O-]	REAL300012093819	0	47	0.0	-35.53	359.85	10.22	-25.31
CCCCC(C)([NH2+]CC1=CC=CC(OC2CC2)=C1F)C(=O)[O-]	REAL300012093820	0	46	0.0	-35.88	354.89	9.30	-26.58
CCCCC(C)([NH2+]CC1=CC=CC(C2CCCC2)=C1)C(=O)[O-]	REAL300012093821	0	51	0.0	-32.67	373.22	11.50	-21.17
CCCCC(C)([NH2+]CC1=CC=C2CCN(C(=O)OC(C)(C)C)CC2=C1)C(=O)[O-]	REAL300012093822	0	62	0.0	-38.74	454.90	11.49	-27.25
CCCCC(C)([NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1)C(=O)[O-]	REAL300012093823	0	44	0.0	-35.90	370.76	9.85	-26.05
CCCCC(C)([NH2+]CC1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012093824	0	38	0.0	-38.03	319.70	8.42	-29.61
CCCCC(C)([NH2+]CC1=CC(Cl)=C(OC(C)C)C=C1Cl)C(=O)[O-]	REAL300012093825	0	48	0.0	-33.25	387.02	10.15	-23.10
CCCCC(C)([NH2+]CC1=CC=C(OC2CCOC2)C=C1)C(=O)[O-]	REAL300012093826	0	50	0.0	-37.22	374.52	7.96	-29.26
CCCCC(C)([NH2+]CC1=CC(F)=C(N(C)C)C=C1F)C(=O)[O-]	REAL300012093827	0	46	0.0	-35.30	354.40	7.88	-27.42
CCCCC(C)([NH2+]CC1=CC(C(=O)OC)=C2CCCCN12)C(=O)[O-]	REAL300012093828	0	52	0.0	-40.54	390.86	10.01	-30.53
CCCCC(C)([NH2+]CC1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300012093829	0	45	0.0	-37.43	357.29	8.56	-28.87
C=CCOC1=C(Cl)C=C(C[NH2+]C(C)(CCCC)C(=O)[O-])C=C1OC	REAL300012093830	0	50	0.0	-40.39	402.54	9.63	-30.76
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OC2CC2)=C1)C(=O)[O-]	REAL300012093831	0	50	0.0	-39.45	378.81	9.17	-30.28
CCCCC(C)([NH2+]CC1=CC(Cl)=CC=C1I)C(=O)[O-]	REAL300012093832	0	38	0.0	-30.33	327.34	9.79	-20.54
CCCCC(C)([NH2+]CC1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300012093833	0	41	0.0	-41.47	331.09	6.89	-34.58
CCCCC(C)([NH2+]CC1=CC=C(OC(C)COC)C=C1)C(=O)[O-]	REAL300012093834	0	52	0.0	-37.02	390.28	8.49	-28.53
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C(=O)[O-]	REAL300012093835	0	45	0.0	-35.82	356.36	10.93	-24.89
CCCCC(C)([NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300012093836	0	51	0.0	-36.51	387.66	10.58	-25.93
CCCCC(C)([NH2+]CC1=CC=C(OC)C(C(C)(C)C)=C1)C(=O)[O-]	REAL300012093837	0	54	0.0	-34.47	389.67	10.29	-24.18
CCCCC(C)([NH2+]CC1=CC=CC(CC2CCC2)=C1)C(=O)[O-]	REAL300012093838	0	51	0.0	-32.69	380.05	11.82	-20.87
CCCCC(C)([NH2+]CC1=CC(C)=C(Br)C=N1)C(=O)[O-]	REAL300012093839	0	40	0.0	-34.28	323.89	7.64	-26.64
CCCCC(C)([NH2+]CC1=CC(C)=C(F)C=C1Br)C(=O)[O-]	REAL300012093840	0	41	0.0	-33.93	331.12	9.59	-24.34
CCCCC(C)([NH2+]CC1=C(O)C=CC=C1Br)C(=O)[O-]	REAL300012093841	0	39	0.0	-29.87	316.83	5.98	-23.89
CCCCC(C)([NH2+]CC1=CSC(C2=CN(C)N=C2)=N1)C(=O)[O-]	REAL300012093842	0	44	0.0	-37.26	358.59	6.87	-30.39
CCCCC(C)([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C(=O)[O-]	REAL300012093843	0	44	0.0	-40.90	348.40	8.17	-32.73
CCCCC(C)([NH2+]CC1=CN(C)N=C1Br)C(=O)[O-]	REAL300012093844	0	38	0.0	-37.69	312.45	6.59	-31.10
CCCCC(C)([NH2+]CC1=NC=C(Br)C=C1F)C(=O)[O-]	REAL300012093845	0	37	0.0	-31.23	310.73	7.07	-24.16
CCCCC(C)([NH2+]CC1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300012093846	0	46	0.0	-35.38	359.54	7.98	-27.40
CCCCC(C)([NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300012093847	0	44	0.0	-35.42	350.01	10.10	-25.32
CCCCC(C)([NH2+]CC1=CC=CC(CNC(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012093848	0	58	0.0	-38.34	436.89	8.75	-29.59
CCCCC(C)([NH2+]CC1=C(C)NC(C(=O)OCC)=C1C)C(=O)[O-]	REAL300012093849	0	51	0.0	-37.65	389.14	8.66	-28.99
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1)C(=O)[O-]	REAL300012093850	0	48	0.0	-37.16	382.03	12.28	-24.88
CCCCC(C)([NH2+]CC1=CC=C(Br)C(F)=C1F)C(=O)[O-]	REAL300012093851	0	38	0.0	-39.84	320.41	9.02	-30.82
CCCCC(C)([NH2+]CC1=C(Br)SC=C1)C(=O)[O-]	REAL300012093852	0	35	0.0	-31.55	296.94	7.96	-23.59
CCCCC(C)([NH2+]CC1=CC(OCC)=C(OC)C=C1F)C(=O)[O-]	REAL300012093853	0	49	0.0	-36.41	374.06	8.46	-27.95
CCCCC(C)([NH2+]CC1=CC=CN=C1Br)C(=O)[O-]	REAL300012093854	0	37	0.0	-36.06	299.52	7.00	-29.06
CCCCC(C)([NH2+]CC1=CC(OC)=C(Br)C=C1F)C(=O)[O-]	REAL300012093855	0	42	0.0	-36.76	343.39	8.31	-28.45
CCCCC(C)([NH2+]CC1=CC=CC(Br)=C1Cl)C(=O)[O-]	REAL300012093856	0	38	0.0	-34.41	321.12	9.30	-25.11
CCCCC(C)([NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1)C(=O)[O-]	REAL300012093857	0	52	0.0	-43.90	385.06	9.32	-34.58
CCCCC(C)([NH2+]CC1=CC=C(OC(F)F)C=C1F)C(=O)[O-]	REAL300012093858	0	42	0.0	-35.68	333.82	7.90	-27.78
CCCCC(C)([NH2+]CC1=CC=CC(OC(C)(C)C)=C1)C(=O)[O-]	REAL300012093859	0	51	0.0	-33.83	369.70	9.44	-24.39
CCCCC(C)([NH2+]CC1=CC=C(C)C(Br)=C1C)C(=O)[O-]	REAL300012093860	0	44	0.0	-34.09	340.09	10.00	-24.09
CCCCC(C)([NH2+]CC1=NC=CC(C)=C1Br)C(=O)[O-]	REAL300012093861	0	40	0.0	-29.03	320.71	7.53	-21.50
CCCCC(C)([NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)C=C1)C(=O)[O-]	REAL300012093862	0	55	0.0	-38.37	410.91	8.55	-29.82
CCCCC(C)([NH2+]CC1=CN=C(CCOC)S1)C(=O)[O-]	REAL300012093863	0	44	0.0	-36.23	350.86	6.09	-30.14
CCCCC(C)([NH2+]CC1=CC(Br)=CC(F)=C1O)C(=O)[O-]	REAL300012093865	1	39	0.0	-38.11	326.15	6.20	-31.91
CCCCC(C)([NH2+]CC1=C2CSCCC2=NN1C)C(=O)[O-]	REAL300012093866	0	46	0.0	-39.35	352.64	7.92	-31.43
CCCCC(C)([NH2+]CC1=CC=C(OC2=CC=C(F)C(C)=C2)C=C1Cl)C(=O)[O-]	REAL300012093867	0	52	0.0	-36.02	417.65	12.29	-23.73
CCCCC(C)([NH2+]CC1=CC=C(OC2=CC=CC=C2CC)C=C1Cl)C(=O)[O-]	REAL300012093868	0	55	0.0	-35.62	431.78	13.10	-22.52
CCCCC(C)([NH2+]CC1=CC(Br)=C(C)S1)C(=O)[O-]	REAL300012093869	0	38	0.0	-33.29	321.58	8.81	-24.48
CCCCC(C)([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300012093870	0	48	0.0	-36.29	380.02	12.20	-24.09
CCCCC(C)([NH2+]CC1=CC=CC(F)=C1I)C(=O)[O-]	REAL300012093871	0	38	0.0	-33.91	316.17	9.32	-24.59
CCCCC(C)([NH2+]CC1=CC=C(OCCC)C(C)=C1)C(=O)[O-]	REAL300012093872	0	51	0.0	-34.96	381.93	10.08	-24.88
CCCCC(C)([NH2+]CC1=CC=C(OC)C(COC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012093873	0	56	0.0	-36.19	426.94	11.03	-25.16
CCCCC(C)([NH2+]CC1=CC=C(OC)C(CN2C=CC=N2)=C1)C(=O)[O-]	REAL300012093874	0	52	0.0	-38.43	401.21	9.30	-29.13
CCCCC(C)([NH2+]CC1=CN(CC2=CC=C(OC)C=C2)N=N1)C(=O)[O-]	REAL300012093875	0	51	0.0	-42.84	396.74	7.92	-34.92
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OC)=C1F)C(=O)[O-]	REAL300012093876	0	46	0.0	-38.09	357.05	7.64	-30.45
CCCCC(C)([NH2+]CC1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300012093877	0	44	0.0	-40.17	349.35	8.98	-31.19
CCCCC(C)([NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300012093878	0	48	0.0	-37.01	375.62	8.68	-28.33
CCCCC(C)([NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300012093879	0	52	0.0	-35.56	400.27	11.59	-23.97
CCCCC(C)([NH2+]CC1=CC(Br)=C(Br)S1)C(=O)[O-]	REAL300012093880	0	35	0.0	-35.78	321.07	8.70	-27.08
CCCCC(C)([NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300012093881	0	44	0.0	-34.32	370.65	9.58	-24.74
CCCCC(C)([NH2+]CC1=CSC(C2=CC=C(OC)C=C2)=N1)C(=O)[O-]	REAL300012093882	0	48	0.0	-34.71	383.37	8.38	-26.33
CCCCC(C)([NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)C(=O)[O-]	REAL300012093884	0	46	0.0	-46.33	366.30	4.94	-41.39
CCCCC(C)([NH2+]CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1)C(=O)[O-]	REAL300012093885	0	52	0.0	-42.17	418.27	11.70	-30.47
CCCCC(C)([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C(=O)[O-]	REAL300012093886	0	44	0.0	-40.29	345.18	6.54	-33.75
CCCCC(C)([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300012093887	0	43	0.0	-28.76	342.83	9.21	-19.55
CCCCC(C)([NH2+]CC1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012093888	0	38	0.0	-36.93	319.86	8.61	-28.32
CCCCC(C)([NH2+]CC1=NC2=CC=C(Br)C=C2S1)C(=O)[O-]	REAL300012093889	0	40	0.0	-34.47	342.04	8.34	-26.13
CCCCC(C)([NH2+]CC(C)=CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300012093890	0	48	0.0	-35.73	371.22	10.92	-24.81
CCCCC(C)([NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1)C(=O)[O-]	REAL300012093891	0	57	0.0	-35.16	424.77	11.66	-23.50
CCCCC(C)([NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1)C(=O)[O-]	REAL300012093892	0	44	0.0	-42.08	358.10	8.77	-33.31
CCCCC(C)([NH2+]CC1=CN2C=CC(Br)=CC2=N1)C(=O)[O-]	REAL300012093893	0	41	0.0	-37.28	337.37	9.40	-27.88
CCCCC(C)([NH2+]CC(C)=CC1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300012093894	0	49	0.0	-37.05	375.62	9.69	-27.36
CCCCC(C)([NH2+]CC(C)=CC1=CC=CC=C1COC)C(=O)[O-]	REAL300012093895	0	52	0.0	-36.11	388.08	9.93	-26.18
CCCCC(C)([NH2+]CC1=CN(C2=CC=C(OC)C=C2)N=C1)C(=O)[O-]	REAL300012093896	0	49	0.0	-40.85	377.31	8.82	-32.03
CCCCC(C)([NH2+]CC1=CC=C(N(C)CC2=CC=CS2)C=C1)C(=O)[O-]	REAL300012093897	0	53	0.0	-34.13	410.90	11.72	-22.41
CCCCC(C)([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C(=O)[O-]	REAL300012093898	0	40	0.0	-39.53	328.49	6.25	-33.28
CCCCC(C)([NH2+]CC1=CC=C(N2CCCCC2)C(Br)=C1)C(=O)[O-]	REAL300012093899	0	53	0.0	-35.84	406.53	10.77	-25.07
CCCCC(C)([NH2+]CC1=CC=NC=C1Br)C(=O)[O-]	REAL300012093900	0	37	0.0	-34.70	299.80	7.11	-27.59
CCCCC(C)([NH2+]CC1=CC=C(S(C)(=O)=O)S1)C(=O)[O-]	REAL300012093901	0	41	0.0	-44.30	342.09	4.98	-39.32
CCCCC(C)([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1F)C(=O)[O-]	REAL300012093902	0	43	0.0	-44.16	347.69	3.31	-40.85
CCCCC(C)([NH2+]CC1=CN=CC(Br)=C1C)C(=O)[O-]	REAL300012093903	0	40	0.0	-36.63	318.21	7.59	-29.04
CCCCC(C)([NH2+]CC1=CC2=C(OCO2)C(C2=CC=C(OC)N=C2)=C1)C(=O)[O-]	REAL300012093904	0	54	0.0	-44.15	422.92	7.34	-36.81
CCCCC(C)([NH2+]CC1=CC=NN1C1CCOCC1)C(=O)[O-]	REAL300012093905	0	49	0.0	-38.54	364.66	6.92	-31.62
CCCCC(C)([NH2+]CC1=CN(CC2CCOC2)N=N1)C(=O)[O-]	REAL300012093906	0	48	0.0	-41.23	363.54	5.73	-35.50
CCCCC(C)([NH2+]CC=CC1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300012093907	0	51	0.0	-35.42	379.06	11.43	-23.99
CCCCC(C)([NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C(=O)[O-]	REAL300012093908	0	58	0.0	-37.04	429.00	7.15	-29.89
CCCCC(C)([NH2+]CC(CC(F)F)NC(=O)OC(C)(C)C)C(=O)[O-]	REAL300012093909	0	54	0.0	-43.24	395.78	7.04	-36.20
CCCCC(C)([NH2+]CC1=CN(CC2CCCO2)N=N1)C(=O)[O-]	REAL300012093910	0	48	0.0	-39.38	364.08	5.86	-33.52
CCCCC(C)([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C(=O)[O-]	REAL300012093911	0	43	0.0	-44.40	336.50	8.72	-35.68
CCCCC(C)([NH2+]CC=CC1=CC(C)=C(C)C=C1C)C(=O)[O-]	REAL300012093912	0	51	0.0	-34.91	375.99	11.31	-23.60
CCCCC(C)([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300012093913	0	43	0.0	-44.98	343.23	3.26	-41.72
CCCCC(C)([NH2+]CC1=CSC(C2=NN(C)C=C2)=N1)C(=O)[O-]	REAL300012093914	0	44	0.0	-39.40	358.69	6.74	-32.66
CCCCC(C)([NH2+]CC1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300012093915	0	41	0.0	-30.93	323.50	9.42	-21.51
CCCCC(C)([NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300012093916	0	49	0.0	-36.03	385.07	11.26	-24.77
CCCCC(C)([NH2+]CC1=CC=CC(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300012093917	0	48	0.0	-40.90	361.32	8.14	-32.76
CCCCC(C)([NH2+]CC1=CC(C)=NC2=C1CCCC2)C(=O)[O-]	REAL300012093918	0	50	0.0	-36.14	361.72	9.45	-26.69
CCCCC(C)([NH2+]CC1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300012093919	0	37	0.0	-37.18	314.73	6.39	-30.79
CCCCC(C)([NH2+]CC1=CC(Br)=CC=C1Br)C(=O)[O-]	REAL300012093920	0	38	0.0	-31.14	326.57	9.46	-21.68
CCCCC(C)([NH2+]CC1=CC=C(C(F)F)C(F)=C1)C(=O)[O-]	REAL300012093921	0	41	0.0	-39.00	328.20	9.26	-29.74
CCCCC(C)([NH2+]CC1=CC=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300012093922	0	47	0.0	-40.16	359.87	9.49	-30.67
CCCCC(C)([NH2+]CC1=CC=C(Cl)C(C)=C1Cl)C(=O)[O-]	REAL300012093923	0	41	0.0	-33.34	334.50	9.76	-23.58
CCCCC(C)([NH2+]CC1=CC(C)=C(I)C=C1C)C(=O)[O-]	REAL300012093924	0	44	0.0	-34.45	349.77	10.48	-23.97
CCCCC(C)([NH2+]CC1=CC(C#N)=CC=C1Br)C(=O)[O-]	REAL300012093925	0	39	0.0	-36.55	325.23	9.27	-27.28
CCCCC(C)([NH2+]CC1=CC=C(C(=O)N(C)C)C=C1)C(=O)[O-]	REAL300012093926	0	48	0.0	-43.83	359.22	8.16	-35.67
CCCCC(C)([NH2+]CC1=CC=C(C(=O)NCC)C=C1)C(=O)[O-]	REAL300012093927	0	48	0.0	-42.65	366.96	7.43	-35.22
CCCCC(C)([NH2+]CC1=CC2=CC(OC)=CC=C2S1)C(=O)[O-]	REAL300012093928	0	45	0.0	-35.63	355.93	9.13	-26.50
CCCCC(C)([NH2+]CC1=CC=C(C(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300012093929	0	54	0.0	-43.28	401.24	10.04	-33.24
CCCCC(C)([NH2+]CC1=CC=C2C(=C1)CCN2CC)C(=O)[O-]	REAL300012093930	0	50	0.0	-34.66	368.29	8.93	-25.73
CCCCC(C)([NH2+]CC1=CC=C(C(=O)N(C)CC)C=C1)C(=O)[O-]	REAL300012093931	0	51	0.0	-43.11	381.81	9.16	-33.95
CCCCC(C)([NH2+]CC1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300012093932	0	42	0.0	-37.89	344.22	9.77	-28.12
CCCCC(C)([NH2+]CC1=CC=C(N2C=CC(C)=N2)C=C1C)C(=O)[O-]	REAL300012093933	0	51	0.0	-40.43	384.71	10.62	-29.81
CCCCC(C)([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300012093934	0	44	0.0	-38.04	360.21	10.18	-27.86
CCCCC(C)([NH2+]CC1=CC=C(N2C=C(Cl)C=N2)C=C1C)C(=O)[O-]	REAL300012093935	0	48	0.0	-38.81	379.35	10.60	-28.21
CCCCC(C)([NH2+]CC1=C(Br)C=C(CC)S1)C(=O)[O-]	REAL300012093936	0	41	0.0	-29.21	342.03	9.53	-19.68
CCCCC(C)([NH2+]CC1=CC=C(N2C=C(Cl)C(C)=N2)C=C1)C(=O)[O-]	REAL300012093937	0	48	0.0	-40.32	385.91	10.59	-29.73
CCCCC(C)([NH2+]CC1=CC2=C(C=C(C(=O)OC)N2)O1)C(=O)[O-]	REAL300012093938	0	45	0.0	-40.97	357.67	7.07	-33.90
CCCCC(C)([NH2+]CC1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300012093939	0	38	0.0	-36.45	327.10	9.39	-27.06
CCCCC(C)([NH2+]CC1=NC(C2=CC=CC(OC)=C2)=CS1)C(=O)[O-]	REAL300012093940	1	48	0.0	-36.17	381.65	8.34	-27.83
CCCCC(C)([NH2+]CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C(=O)[O-]	REAL300012093941	0	58	0.0	-38.73	436.89	8.76	-29.97
CCCCC(C)([NH2+]CC1=CC(C(=O)OC)=C2COCCN12)C(=O)[O-]	REAL300012093942	0	50	0.0	-41.47	382.55	7.63	-33.84
CCCCC(C)([NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300012093943	0	55	0.0	-42.44	403.82	10.24	-32.20
CCCCC(C)([NH2+]CC1=CC=C(N2C=CN=C2)C=C1C)C(=O)[O-]	REAL300012093944	0	48	0.0	-40.02	360.38	11.21	-28.81
CCCCC(C)([NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C(=O)[O-]	REAL300012093945	0	41	0.0	-39.34	351.22	10.14	-29.20
CCCCC(C)([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1Br)C(=O)[O-]	REAL300012093946	0	43	0.0	-42.39	358.62	3.86	-38.53
CCCCC(C)([NH2+]CC1=CN=C(C2CCOCC2)O1)C(=O)[O-]	REAL300012093947	1	48	0.0	-37.53	361.35	4.72	-32.81
CCCCC(C)([NH2+]CC1=CC=C(F)C(Br)=C1F)C(=O)[O-]	REAL300012093948	0	38	0.0	-39.71	319.82	8.99	-30.72
CCCCC(C)([NH2+]CC1=CN(CC2=CC=CC=C2)N=N1)C(=O)[O-]	REAL300012093949	0	47	0.0	-40.56	367.23	8.62	-31.94
CCCCC(C)([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300012093950	0	58	0.0	-40.05	412.78	9.32	-30.73
CCCCC(C)([NH2+]CC1=NC=C(Br)C=C1C)C(=O)[O-]	REAL300012093951	0	40	0.0	-32.59	321.51	7.62	-24.97
CCCCC(C)([NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C(=O)[O-]	REAL300012093952	0	44	0.0	-41.74	362.88	6.22	-35.52
CCCCC(C)([NH2+]CC1=CC=C2OC(C)C(C)C2=C1)C(=O)[O-]	REAL300012093953	0	49	0.0	-36.54	362.39	9.41	-27.13
CCCCC(C)([NH2+]CC1=CC=C(C)C(OC(F)F)=C1)C(=O)[O-]	REAL300012093954	0	45	0.0	-35.04	348.33	8.63	-26.41
CCCCC(C)([NH2+]CC1=CC(Br)=C(C)N=C1Cl)C(=O)[O-]	REAL300012093955	0	40	0.0	-34.83	335.66	8.05	-26.78
CCCCC(C)([NH2+]CC1=C(C)C(C(F)(F)F)=NN1)C(=O)[O-]	REAL300012093956	0	41	0.0	-40.91	326.70	6.24	-34.67
CCCCC(C)([NH2+]CC1=CC=C(OCC2=CC=C(C(=O)OC)O2)C=C1)C(=O)[O-]	REAL300012093957	0	55	0.0	-42.02	437.88	10.49	-31.53
CCCCC(C)([NH2+]CC1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300012093958	0	41	0.0	-29.88	339.10	9.30	-20.58
CCCCC(C)([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300012093959	0	42	0.0	-35.25	340.57	8.11	-27.14
CCCCC(C)([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300012093960	0	44	0.0	-37.01	360.20	10.18	-26.83
CCCCC(C)([NH2+]CC1=CC=C(N2C=CN=C2C)C=C1C)C(=O)[O-]	REAL300012093961	0	51	0.0	-40.63	384.20	11.32	-29.31
CCCCC(C)([NH2+]CC1=CC=C(N2C=NC(C)=C2C)C=C1)C(=O)[O-]	REAL300012093962	0	51	0.0	-42.08	386.70	11.92	-30.16
CCCCC(C)([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C(=O)[O-]	REAL300012093963	0	52	0.0	-33.22	384.06	12.30	-20.92
CCCCC(C)([NH2+]CC1=CC=CC(C(=O)NCC)=C1)C(=O)[O-]	REAL300012093965	0	48	0.0	-40.24	367.04	7.39	-32.85
CCCCC(C)([NH2+]CC1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300012093966	0	44	0.0	-35.94	343.79	9.51	-26.43
CCCCC(C)([NH2+]CC1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300012093967	0	48	0.0	-40.35	369.07	9.43	-30.92
CCCCC(C)([NH2+]CC1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300012093968	0	41	0.0	-33.97	346.82	10.40	-23.57
CCCCC(C)([NH2+]CC1=NN(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300012093969	0	41	0.0	-37.09	331.35	7.34	-29.75
CCCCC(C)([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C(=O)[O-]	REAL300012093970	0	48	0.0	-33.55	358.75	10.25	-23.30
CCCCC(C)([NH2+]CC1=CC=CC(C(F)F)=C1F)C(=O)[O-]	REAL300012093971	0	41	0.0	-37.97	327.60	9.23	-28.74
CCCCC(C)([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1C)C(=O)[O-]	REAL300012093972	0	51	0.0	-42.21	404.14	11.02	-31.19
CCCCC(C)([NH2+]CC1=CC(Cl)=CC=C1OCC)C(=O)[O-]	REAL300012093973	0	45	0.0	-31.43	355.72	9.11	-22.32
CCCCC(C)([NH2+]CC1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300012093974	0	51	0.0	-36.29	373.65	9.36	-26.93
CCCCC(C)([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300012093975	0	45	0.0	-36.03	362.86	9.78	-26.25
CCCCC(C)([NH2+]CC1=CC=C(N(C)CCO)N=C1)C(=O)[O-]	REAL300012093976	0	49	0.0	-37.25	368.65	5.84	-31.41
CCCCC(C)([NH2+]CC1=CC=CC(C(C)(C)C)=C1OC)C(=O)[O-]	REAL300012093977	0	54	0.0	-32.44	382.72	10.03	-22.41
CCCCC(C)([NH2+]CC1=NC(Br)=CN1C)C(=O)[O-]	REAL300012093978	0	38	0.0	-37.43	311.29	7.17	-30.26
CCCCC(C)([NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C(=O)[O-]	REAL300012093979	0	44	0.0	-40.59	345.75	7.43	-33.16
CCCCC(C)([NH2+]CC1=CC2=CC=CC=C2N(C)C1=O)C(=O)[O-]	REAL300012093980	0	47	0.0	-38.08	355.47	9.08	-29.00
CCCCC(C)([NH2+]CC=CC1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300012093981	0	45	0.0	-40.24	346.18	8.24	-32.00
CCCCC(C)([NH2+]CC1=CC=C(CC2CCC2)C=C1)C(=O)[O-]	REAL300012093982	0	51	0.0	-32.65	380.12	11.83	-20.82
CCCCC(C)([NH2+]CC1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300012093983	0	48	0.0	-39.04	385.19	9.08	-29.96
CCCCC(C)([NH2+]CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300012093984	0	55	0.0	-39.55	411.44	8.54	-31.01
CCCCC(C)([NH2+]CC1=CC=NN1C1CC1(F)F)C(=O)[O-]	REAL300012093985	0	42	0.0	-41.39	332.71	7.85	-33.54
CCCCC(C)([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C(=O)[O-]	REAL300012093986	0	44	0.0	-38.82	352.00	9.05	-29.77
CCCCC(C)([NH2+]CC1=CN=C(C(C)(C)C#N)S1)C(=O)[O-]	REAL300012093987	0	44	0.0	-37.47	355.70	7.63	-29.84
CCCCC(C)([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C(=O)[O-]	REAL300012093988	0	45	0.0	-35.27	354.56	10.73	-24.54
CCCCC(C)([NH2+]CC1=CC=C(Cl)C(Br)=C1F)C(=O)[O-]	REAL300012093989	0	38	0.0	-38.66	328.95	9.42	-29.24
CCCCC(C)([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300012093990	0	49	0.0	-37.74	395.35	11.69	-26.05
CCCCC(C)([NH2+]CC1=CC=C(OC2=CC=CC(OC)=C2)C=C1)C(=O)[O-]	REAL300012093991	0	53	0.0	-39.41	408.14	10.49	-28.92
CCCCC(C)([NH2+]CC1=CC=C2C(=C1)CCCN2CC)C(=O)[O-]	REAL300012093992	0	53	0.0	-33.68	377.89	9.33	-24.35
CCCCC(C)([NH2+]CC1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300012093993	0	38	0.0	-33.80	311.72	6.51	-27.29
CCCCC(C)([NH2+]CC1=CC=C(OC2=CC=CC=C2OC)C=C1)C(=O)[O-]	REAL300012093994	0	53	0.0	-38.46	408.60	11.10	-27.36
CCCCC(C)([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C(=O)[O-]	REAL300012093995	0	42	0.0	-37.09	345.48	9.73	-27.36
CCCCC(C)([NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300012093996	0	52	0.0	-35.88	417.08	12.09	-23.79
CCCCC(C)([NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C(=O)[O-]	REAL300012093997	0	51	0.0	-37.55	382.28	8.95	-28.60
CCCCC(C)([NH2+]CC1=CC=C(Br)C=C1OC(F)F)C(=O)[O-]	REAL300012093998	0	42	0.0	-37.26	348.20	8.57	-28.69
CCCCC(C)([NH2+]CC1=C(C)C2=CC=C(F)C=C2S1)C(=O)[O-]	REAL300012093999	0	44	0.0	-34.90	349.53	10.44	-24.46
CCCCC(C)([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C(=O)[O-]	REAL300012094000	0	44	0.0	-42.68	343.62	6.47	-36.21
CCCCC(C)([NH2+]CC1=CC=CC(OCC2CCC2)=C1)C(=O)[O-]	REAL300012094001	0	52	0.0	-34.13	388.68	10.63	-23.50
CCCCC(C)([NH2+]CC1=CC=C(OCCO)C(OC)=C1)C(=O)[O-]	REAL300012094002	0	50	0.0	-41.64	380.97	5.34	-36.30
CCCCC(C)([NH2+]CC1=CC=C(OC)C(OCCO)=C1)C(=O)[O-]	REAL300012094003	0	50	0.0	-41.16	380.98	5.34	-35.82
CCCCC(C)([NH2+]CC1=CC=C(OCC2CCCO2)C(OC)=C1)C(=O)[O-]	REAL300012094004	0	57	0.0	-41.49	426.68	8.93	-32.56
CCCCC(C)([NH2+]CC1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300012094005	0	43	0.0	-33.87	341.76	6.34	-27.53
CCCCC(C)([NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1)C(=O)[O-]	REAL300012094006	0	47	0.0	-38.89	386.32	10.05	-28.84
CCCCC(C)([NH2+]CC1=CC(S(C)(=O)=O)=CO1)C(=O)[O-]	REAL300012094007	0	41	0.0	-44.60	332.89	3.86	-40.74
CCCCC(C)([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300012094008	0	41	0.0	-37.26	332.20	9.36	-27.90
CCCCC(C)([NH2+]CC1=CC=C(OC(C)C)C(F)=C1)C(=O)[O-]	REAL300012094009	0	48	0.0	-39.25	364.20	9.22	-30.03
CCCCC(C)([NH2+]CC1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300012094010	0	38	0.0	-39.67	315.56	8.90	-30.77
CCCCC(C)([NH2+]CC1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300012094011	0	44	0.0	-34.22	339.55	10.55	-23.67
CCCCC(C)([NH2+]CC1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300012094012	0	41	0.0	-42.81	341.23	4.91	-37.90
CCCCC(C)([NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1)C(=O)[O-]	REAL300012094013	0	45	0.0	-38.73	364.56	10.04	-28.69
CCCCC(C)([NH2+]CC1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300012094014	0	51	0.0	-36.65	377.09	9.38	-27.27
CCCCC(C)([NH2+]CC1=C(Br)C=C(C(F)(F)F)S1)C(=O)[O-]	REAL300012094015	0	38	0.0	-32.59	339.29	9.14	-23.45
CCCCC(C)([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C(=O)[O-]	REAL300012094016	0	45	0.0	-39.15	354.24	9.58	-29.57
CCCCC(C)([NH2+]CC1=NN(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300012094017	0	47	0.0	-37.88	363.99	8.61	-29.27
CCCCC(C)([NH2+]CC1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300012094018	0	42	0.0	-38.63	335.00	7.72	-30.91
CCCCC(C)([NH2+]CC1=CN(C2CCCCC2)N=C1C)C(=O)[O-]	REAL300012094019	0	54	0.0	-35.92	393.29	9.94	-25.98
CCCCC(C)([NH2+]CC1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300012094020	0	49	0.0	-37.20	364.51	6.92	-30.28
CCCCC(C)([NH2+]CC1=CN(C2CCOCC2)N=C1C)C(=O)[O-]	REAL300012094021	0	52	0.0	-36.45	384.07	7.53	-28.92
CCCCC(C)([NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C(=O)[O-]	REAL300012094022	0	43	0.0	-32.03	350.03	9.43	-22.60
CCCCC(C)([NH2+]CC1=CC(S(N)(=O)=O)=CS1)C(=O)[O-]	REAL300012094023	0	40	0.0	-42.55	334.75	2.31	-40.24
CCCCC(C)([NH2+]CC1=NC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300012094024	0	37	0.0	-29.98	314.92	7.36	-22.62
CCCCC(C)([NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300012094025	0	53	0.0	-44.39	393.64	7.75	-36.64
CCCCC(C)([NH2+]CC1=CN(C2CCCC2)N=C1C)C(=O)[O-]	REAL300012094026	0	51	0.0	-35.89	374.33	9.33	-26.56
CCCCC(C)([NH2+]CC1=CC(C)=CC(Br)=C1F)C(=O)[O-]	REAL300012094027	0	41	0.0	-35.46	335.51	9.62	-25.84
CCCCC(C)([NH2+]CC1=CC=C(Br)C(Cl)=C1F)C(=O)[O-]	REAL300012094028	0	38	0.0	-38.57	329.10	9.41	-29.16
CCCCC(C)([NH2+]CC1=CC=CC(OC)=C1Br)C(=O)[O-]	REAL300012094029	0	42	0.0	-33.48	333.93	8.20	-25.28
CCCCC(C)([NH2+]CC1=CC=C(Cl)C(F)=C1F)C(=O)[O-]	REAL300012094030	0	38	0.0	-39.94	316.00	8.91	-31.03
CCCCC(C)([NH2+]CC1=CC=CC(C2=CN(C)N=C2)=C1)C(=O)[O-]	REAL300012094031	0	48	0.0	-38.30	369.12	9.59	-28.71
CCCCC(C)([NH2+]CC1=CC(Br)=C(OC)C=C1F)C(=O)[O-]	REAL300012094032	0	42	0.0	-34.87	343.41	8.31	-26.56
CCCCC(C)([NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)C(=O)[O-]	REAL300012094033	0	48	0.0	-49.52	375.59	10.70	-38.82
CCCCC(C)([NH2+]CC1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300012094034	0	41	0.0	-33.29	325.12	9.52	-23.77
CCCCC(C)([NH2+]CC1=CC=C2N=C(OC)SC2=C1)C(=O)[O-]	REAL300012094035	0	44	0.0	-39.96	353.47	6.09	-33.87
CCCCC(C)([NH2+]CC1=CC=NC(Br)=C1)C(=O)[O-]	REAL300012094036	0	37	0.0	-39.90	305.34	7.04	-32.86
CCCCC(C)([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C(=O)[O-]	REAL300012094037	0	38	0.0	-34.46	322.42	9.31	-25.15
CCCCC(C)([NH2+]CC1=CC=CC(OCC(C)(C)C)=C1)C(=O)[O-]	REAL300012094038	0	54	0.0	-33.81	400.87	10.61	-23.20
CCCCC(C)([NH2+]CC1=CC(Br)=CC(Cl)=C1F)C(=O)[O-]	REAL300012094039	0	38	0.0	-35.30	330.98	9.45	-25.85
CCCCC(C)([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C(=O)[O-]	REAL300012094040	0	41	0.0	-40.27	340.57	9.63	-30.64
CCCCC(C)([NH2+]CC1=CC(F)=C(F)C(OC)=C1)C(=O)[O-]	REAL300012094041	0	42	0.0	-43.58	331.09	7.70	-35.88
CCCCC(C)([NH2+]CC1=C(C)C(C(=O)OC)=C(C)N1)C(=O)[O-]	REAL300012094042	0	48	0.0	-42.07	372.68	7.98	-34.09
CCCCC(C)([NH2+]CC1=CC=C2CN(C(=O)OC(C)(C)C)CCC2=C1)C(=O)[O-]	REAL300012094043	0	62	0.0	-39.11	454.89	11.49	-27.62
CCCCC(C)([NH2+]CC1=C(O)C=CC(F)=C1Br)C(=O)[O-]	REAL300012094044	0	39	0.0	-33.54	322.45	6.04	-27.50
CCCCC(C)([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300012094045	0	54	0.0	-32.69	390.85	12.12	-20.57
CCCCC(C)([NH2+]CC1=C(C)C=C(Br)S1)C(=O)[O-]	REAL300012094046	0	38	0.0	-33.13	319.40	8.71	-24.42
CCCCC(C)([NH2+]CC1=C(C)N(CC(F)F)N=C1)C(=O)[O-]	REAL300012094047	0	44	0.0	-39.77	343.55	7.71	-32.06
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300012094048	0	46	0.0	-40.37	358.26	8.62	-31.75
CCCCC(C)([NH2+]CC1=NC2=CC(Cl)=CC=C2N1C(C)C)C(=O)[O-]	REAL300012094049	0	50	0.0	-36.74	387.22	10.37	-26.37
CCCCC(C)([NH2+]CC1=CC(C2=CC=CO2)=NN1C)C(=O)[O-]	REAL300012094050	0	45	0.0	-41.36	352.31	7.55	-33.81
CCCCC(C)([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300012094051	0	51	0.0	-34.13	391.79	12.77	-21.36
CCCCC(C)([NH2+]CC1=CC(Cl)=CC(Cl)=C1Br)C(=O)[O-]	REAL300012094052	0	38	0.0	-33.37	335.97	9.84	-23.53
CCCCC(=O)NC1=CC=C(C[NH2+]C(C)(CCCC)C(=O)[O-])C=C1	REAL300012094053	0	54	0.0	-40.02	408.50	9.56	-30.46
CCCCC(C)([NH2+]CC1=CSC(Br)=C1Br)C(=O)[O-]	REAL300012094054	0	35	0.0	-33.76	317.73	8.48	-25.28
CCCCC(C)([NH2+]CC1=CC=CC(Br)=C1Br)C(=O)[O-]	REAL300012094055	0	38	0.0	-34.04	324.27	9.40	-24.64
CCCCC(C)([NH2+]CC1=CC=C(N(C)CC)C=C1C)C(=O)[O-]	REAL300012094056	0	52	0.0	-31.89	377.08	10.26	-21.63
CCCCC(C)([NH2+]CC1=CC(Cl)=CN=C1Br)C(=O)[O-]	REAL300012094057	0	37	0.0	-34.75	316.28	7.49	-27.26
CCCCC(C)([NH2+]CC1=C(Cl)C(Cl)=CS1)C(=O)[O-]	REAL300012094058	0	35	0.0	-32.36	310.45	8.33	-24.03
CCCCC(C)([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300012094059	0	42	0.0	-39.09	351.02	8.65	-30.44
CCCCC(C)([NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C(=O)[O-]	REAL300012094060	0	48	0.0	-39.25	377.65	11.10	-28.15
CCCCC(C)([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300012094061	0	47	0.0	-38.28	358.41	9.97	-28.31
CCCCC(C)([NH2+]CC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	REAL300012094062	0	60	0.0	-35.82	448.02	13.18	-22.64
CCCCC(C)([NH2+]CC1=CC=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300012094063	0	41	0.0	-35.55	343.11	9.89	-25.66
CCCCC(C)([NH2+]CC1=CC2=NC=C(Br)C=C2O1)C(=O)[O-]	REAL300012094064	0	40	0.0	-38.49	333.03	7.59	-30.90
CCCCC(C)([NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1)C(=O)[O-]	REAL300012094065	0	43	0.0	-38.11	354.74	8.65	-29.46
CCCCC(C)([NH2+]CC1=CC2=C(CCOC2)N=C1Cl)C(=O)[O-]	REAL300012094066	0	45	0.0	-37.58	349.92	6.95	-30.63
CCCCC(C)([NH2+]CC1=CC2=CC(Br)=CC=C2S1)C(=O)[O-]	REAL300012094067	0	41	0.0	-35.09	347.65	10.45	-24.64
CCCCC(C)([NH2+]CC1=NC=C(CC2=CC=CC=C2)N1C)C(=O)[O-]	REAL300012094068	0	51	0.0	-36.52	388.57	10.81	-25.71
CCCCC(C)([NH2+]CC1=CC=CC(C(C)(F)F)=N1)C(=O)[O-]	REAL300012094069	0	43	0.0	-36.90	338.18	8.23	-28.67
CCCCC(C)([NH2+]CC1=CC=C(Br)C=C1Br)C(=O)[O-]	REAL300012094070	0	38	0.0	-33.21	326.59	9.46	-23.75
CCCCC(C)([NH2+]CC1=CC(Br)=CC(F)=C1F)C(=O)[O-]	REAL300012094071	0	38	0.0	-36.13	321.09	9.04	-27.09
CCCCC(C)([NH2+]CC1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300012094072	0	38	0.0	-35.45	329.64	9.42	-26.03
CCCCC(C)([NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300012094073	0	40	0.0	-43.44	338.58	9.56	-33.88
CCCCC(C)([NH2+]CC(C)=CC1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300012094074	0	45	0.0	-37.19	349.48	10.22	-26.97
CCCCC(C)([NH2+]CC1=CC=C(Br)C(F)=C1OC)C(=O)[O-]	REAL300012094075	0	42	0.0	-39.14	345.38	8.36	-30.78
CCCCC(C)([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C(=O)[O-]	REAL300012094076	0	41	0.0	-38.36	332.49	9.32	-29.04
CCCCC(C)([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C(=O)[O-]	REAL300012094077	0	44	0.0	-45.51	341.36	8.22	-37.29
CCCCC(C)([NH2+]CC1=CN(C(C)(C)C)N=C1C(C)C)C(=O)[O-]	REAL300012094078	0	56	0.0	-35.37	414.19	9.95	-25.42
CCCCC(C)([NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C(=O)[O-]	REAL300012094079	0	44	0.0	-37.42	353.55	11.07	-26.35
CCCCC(C)([NH2+]CC1=CC=C2NC=CC2=C1OC)C(=O)[O-]	REAL300012094080	0	46	0.0	-35.19	349.96	7.71	-27.48
CCCCC(C)([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C(=O)[O-]	REAL300012094081	0	51	0.0	-35.55	376.68	5.28	-30.27
CCCCC(C)([NH2+]CC1=CC=C(CN2C=C(Br)C=N2)C=C1)C(=O)[O-]	REAL300012094082	0	48	0.0	-36.72	394.47	10.57	-26.15
CCCCC(C)([NH2+]CC1=CN=C(N2C=CC=N2)C(C)=C1)C(=O)[O-]	REAL300012094083	0	47	0.0	-42.26	360.74	9.62	-32.64
CCCCC(C)([NH2+]CC1=C(Br)C=CC(OC)=C1O)C(=O)[O-]	REAL300012094084	0	43	0.0	-30.46	345.97	5.97	-24.49
O=C([O-])C([NH2+]CC1=CC2=CC=CN=C2C=C1)C1=CC=CC(F)=C1	REAL300012094085	0	38	0.0	-35.16	321.61	9.34	-25.82
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OCC1=CC=CC=C1	REAL300012094086	0	51	0.0	-36.20	420.98	12.15	-24.05
CC(C)(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094087	0	45	0.0	-31.33	357.99	11.33	-20.00
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094089	0	43	0.0	-35.56	360.23	10.79	-24.77
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OC(F)F	REAL300012094090	0	41	0.0	-37.24	350.30	8.49	-28.75
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OC	REAL300012094091	0	44	0.0	-35.01	362.39	9.13	-25.88
CCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094092	0	49	0.0	-32.16	395.72	11.54	-20.62
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1Br	REAL300012094095	0	37	0.0	-32.91	330.39	8.94	-23.97
CCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094096	0	50	0.0	-34.61	404.07	10.68	-23.93
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094097	0	47	0.0	-34.70	383.89	9.93	-24.77
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094098	0	45	0.0	-35.13	375.30	9.71	-25.42
CCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094099	0	56	0.0	-35.70	448.42	12.27	-23.43
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C1=CC=CC(F)=C1	REAL300012094102	1	40	0.0	-33.94	364.44	12.25	-21.69
O=C([O-])C([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1)C1=CC=CC(F)=C1	REAL300012094103	0	43	0.0	-37.76	364.72	10.65	-27.11
O=C([O-])C([NH2+]CC1=CC=C(SC(F)(F)F)C=C1)C1=CC=CC(F)=C1	REAL300012094106	0	37	0.0	-34.40	336.26	10.42	-23.98
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(Cl)=C1	REAL300012094107	0	37	0.0	-33.46	323.05	8.72	-24.74
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1)C1=CC=CC(F)=C1	REAL300012094108	0	37	0.0	-34.14	325.86	8.74	-25.40
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1)C1=CC=CC(F)=C1	REAL300012094109	0	42	0.0	-39.89	377.82	12.46	-27.43
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1)C1=CC=CC(F)=C1	REAL300012094110	0	42	0.0	-43.00	378.30	12.52	-30.48
O=C([O-])C([NH2+]CC1=CSC2=CC=CC=C12)C1=CC=CC(F)=C1	REAL300012094111	0	36	0.0	-30.84	317.37	10.35	-20.49
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2OC1)C1=CC=CC(F)=C1	REAL300012094112	0	39	0.0	-33.46	325.92	9.44	-24.02
O=C([O-])C([NH2+]CC1=CC=C(OCC2CCCO2)C=C1)C1=CC=CC(F)=C1	REAL300012094114	0	48	0.0	-36.47	390.12	9.62	-26.85
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1)C1=CC=CC(F)=C1	REAL300012094115	1	40	0.0	-34.50	354.13	11.80	-22.70
O=C([O-])C([NH2+]CC1=CC=CC2=CC=CN=C21)C1=CC=CC(F)=C1	REAL300012094116	0	38	0.0	-28.01	320.25	9.50	-18.51
O=C([O-])C([NH2+]CC1=CC=C(N2C=CC=N2)C=C1)C1=CC=CC(F)=C1	REAL300012094117	0	40	0.0	-36.16	340.15	10.21	-25.95
O=C([O-])C([NH2+]CC1=CC=C(N2C=NC=N2)C=C1)C1=CC=CC(F)=C1	REAL300012094118	0	39	0.0	-37.63	333.16	11.47	-26.16
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1)C1=CC=CC(F)=C1	REAL300012094119	0	40	0.0	-30.82	366.55	12.31	-18.51
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OCC1=CC=NC=C1	REAL300012094120	0	50	0.0	-37.86	415.86	10.38	-27.48
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2F)S1)C1=CC=CC(F)=C1	REAL300012094121	0	40	0.0	-31.61	359.00	11.96	-19.65
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C1=CC=CC(F)=C1	REAL300012094122	0	36	0.0	-29.40	332.72	10.50	-18.90
O=C([O-])C([NH2+]CC1=CC=C(F)C=C1Cl)C1=CC=CC(F)=C1	REAL300012094123	0	33	0.0	-32.99	297.35	9.42	-23.57
O=C([O-])C([NH2+]CC1=CC=C(F)C(Cl)=C1)C1=CC=CC(F)=C1	REAL300012094124	0	33	0.0	-33.76	303.07	9.54	-24.22
O=C([O-])C([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094125	0	36	0.0	-35.45	326.11	10.06	-25.39
CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094126	0	40	0.0	-34.19	333.15	9.23	-24.96
O=C([O-])C([NH2+]CC1=CC(Cl)=CC=C1Cl)C1=CC=CC(F)=C1	REAL300012094127	0	33	0.0	-30.54	310.32	9.95	-20.59
O=C([O-])C([NH2+]CC1=CC(F)=C(F)C(F)=C1)C1=CC=CC(F)=C1	REAL300012094128	0	33	0.0	-38.23	300.81	9.19	-29.04
O=C([O-])C([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094129	0	36	0.0	-35.22	325.62	10.04	-25.18
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=CC=C1F)C1=CC=CC(F)=C1	REAL300012094130	0	36	0.0	-30.71	324.07	10.03	-20.68
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(Cl)=C1OC	REAL300012094131	0	41	0.0	-29.82	356.41	8.78	-21.04
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=CC(F)=C1	REAL300012094132	1	36	0.0	-33.67	317.26	10.48	-23.19
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(F)=C1)C1=CC=CC(F)=C1	REAL300012094133	0	33	0.0	-34.12	304.39	9.58	-24.54
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C1=CC=CC(F)=C1	REAL300012094134	1	40	0.0	-35.65	366.37	12.30	-23.35
N#CC1=CC=CC(COC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=C2)=C1	REAL300012094135	0	48	0.0	-39.22	413.93	12.68	-26.54
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OCC(F)(F)F	REAL300012094136	0	44	0.0	-37.13	380.64	9.56	-27.57
O=C([O-])C([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=CC=CC(F)=C1	REAL300012094137	0	46	0.0	-36.01	387.94	10.53	-25.48
O=C([O-])C([NH2+]CC1=CC(Br)=C2OCCOC2=C1)C1=CC=CC(F)=C1	REAL300012094138	0	39	0.0	-35.37	345.33	8.80	-26.57
O=C([O-])C([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C1=CC=CC(F)=C1	REAL300012094139	0	43	0.0	-37.66	381.32	11.17	-26.49
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094140	0	44	0.0	-36.39	365.48	8.48	-27.91
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1Cl	REAL300012094141	0	37	0.0	-33.15	326.00	8.83	-24.32
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=N1	REAL300012094143	0	49	0.0	-37.06	398.60	8.90	-28.16
O=C([O-])C([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094144	0	40	0.0	-37.09	352.73	9.70	-27.39
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCO2)C1=CC=CC(F)=C1	REAL300012094145	0	39	0.0	-29.27	322.79	8.16	-21.11
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCCO2)C1=CC=CC(F)=C1	REAL300012094146	0	42	0.0	-28.65	342.08	8.97	-19.68
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094147	0	43	0.0	-33.82	353.36	10.00	-23.82
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C1=CC=CC(F)=C1	REAL300012094148	1	40	0.0	-31.48	347.86	11.59	-19.89
O=C([O-])C([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C1=CC=CC(F)=C1	REAL300012094149	0	47	0.0	-33.84	374.58	11.17	-22.67
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094150	0	43	0.0	-34.07	351.07	9.86	-24.21
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C1=CC=CC(F)=C1	REAL300012094153	0	47	0.0	-32.62	394.85	12.40	-20.22
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C1=CC=CC(F)=C1	REAL300012094158	1	40	0.0	-36.62	356.05	11.86	-24.76
CC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)S2)C=C1	REAL300012094159	1	43	0.0	-34.00	371.04	12.46	-21.54
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094160	0	37	0.0	-31.13	344.13	9.45	-21.68
O=C([O-])C([NH2+]CC1=CC(Br)=CC=C1Cl)C1=CC=CC(F)=C1	REAL300012094161	0	33	0.0	-30.35	314.90	10.06	-20.29
O=C([O-])C([NH2+]CC1=CC(Cl)=CC=C1Br)C1=CC=CC(F)=C1	REAL300012094162	1	33	0.0	-29.32	309.67	9.92	-19.40
O=C([O-])C([NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)C1=CC=CC(F)=C1	REAL300012094163	0	44	0.0	-34.24	385.04	12.07	-22.17
CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094164	0	48	0.0	-36.62	394.24	9.04	-27.58
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CN=C1Cl	REAL300012094165	0	35	0.0	-36.99	312.30	8.24	-28.75
O=C([O-])C([NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1)C1=CC=CC(F)=C1	REAL300012094166	0	53	0.0	-35.62	434.76	13.81	-21.81
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OC1=CC=CN=C1	REAL300012094167	0	46	0.0	-35.44	387.09	10.88	-24.56
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=CC=CC(F)=C1	REAL300012094169	0	38	0.0	-32.26	336.96	10.01	-22.25
O=C([O-])C([NH2+]CC=CC1=CC=C(Cl)C=C1)C1=CC=CC(F)=C1	REAL300012094174	0	37	0.0	-35.86	329.59	10.82	-25.04
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1Br	REAL300012094176	0	36	0.0	-33.85	319.96	10.16	-23.69
O=C([O-])C([NH2+]CC=CC1=CC=C(F)C=C1F)C1=CC=CC(F)=C1	REAL300012094177	0	37	0.0	-35.79	324.75	10.40	-25.39
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1Br	REAL300012094178	0	36	0.0	-32.79	319.96	10.16	-22.63
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=C1OCC2)C1=CC=CC(F)=C1	REAL300012094180	0	38	0.0	-32.12	332.98	9.33	-22.79
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=CC(F)=C1	REAL300012094181	0	37	0.0	-33.53	320.21	9.03	-24.50
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=CC(F)=C1	REAL300012094182	0	37	0.0	-34.68	318.17	8.96	-25.72
CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=N1	REAL300012094183	0	39	0.0	-35.88	329.51	6.57	-29.31
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC2=CC=CN=C12	REAL300012094184	0	41	0.0	-35.02	343.05	10.20	-24.82
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1Cl	REAL300012094185	0	36	0.0	-32.72	315.93	10.08	-22.64
O=C([O-])C([NH2+]CC1=CN=C2C=CSC2=C1)C1=CC=CC(F)=C1	REAL300012094186	0	35	0.0	-35.16	311.74	8.43	-26.73
CCCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094188	0	42	0.0	-30.78	344.86	11.19	-19.59
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094189	0	51	0.0	-33.11	414.68	13.72	-19.39
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1F	REAL300012094190	0	47	0.0	-36.22	381.10	10.07	-26.15
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C(SC)C=C1OC	REAL300012094191	0	45	0.0	-30.24	376.10	9.15	-21.09
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1C#N	REAL300012094194	0	38	0.0	-38.36	330.19	8.69	-29.67
O=C([O-])C([NH2+]CC1=CC=C(SC(F)F)C=C1)C1=CC=CC(F)=C1	REAL300012094195	0	37	0.0	-34.58	329.68	10.22	-24.36
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C1=CC=CC(F)=C1	REAL300012094196	0	37	0.0	-36.18	327.28	8.66	-27.52
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)N=C1	REAL300012094197	0	39	0.0	-29.20	326.91	7.34	-21.86
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094198	0	39	0.0	-32.56	332.04	10.51	-22.05
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC(Cl)=C1OC	REAL300012094199	0	41	0.0	-34.38	359.19	8.81	-25.57
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OCC(C)C	REAL300012094200	0	50	0.0	-34.30	402.67	10.57	-23.73
CCCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OC	REAL300012094201	0	47	0.0	-34.42	382.57	9.89	-24.53
O=C([O-])C([NH2+]CC1=CC=C(Br)S1)C1=CC=CC(F)=C1	REAL300012094202	0	30	0.0	-33.56	292.37	8.81	-24.75
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC(Cl)=C1OC	REAL300012094203	0	44	0.0	-34.15	381.04	9.73	-24.42
C=CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094204	0	41	0.0	-34.13	344.75	9.79	-24.34
CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094205	0	44	0.0	-34.47	382.37	9.80	-24.67
CCCCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OC	REAL300012094206	0	50	0.0	-34.48	404.10	10.68	-23.80
CCCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OCC	REAL300012094207	0	50	0.0	-34.04	425.72	11.52	-22.52
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC(F)F	REAL300012094208	0	41	0.0	-33.33	350.33	8.50	-24.83
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OC(F)F	REAL300012094209	0	44	0.0	-36.97	372.15	9.41	-27.56
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC(C)=C1OC(F)F	REAL300012094210	0	43	0.0	-34.69	360.34	10.07	-24.62
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC2=C1OCCO2	REAL300012094211	0	43	0.0	-35.37	353.57	7.97	-27.40
CC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1C	REAL300012094213	0	42	0.0	-29.22	331.66	10.71	-18.51
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2)S1)C1=CC=CC(F)=C1	REAL300012094214	1	40	0.0	-33.78	348.32	11.76	-22.02
CCCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094215	0	47	0.0	-34.36	403.87	10.60	-23.76
CC(CCC1=CC=CC=C1)C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094217	0	45	0.0	-34.83	358.89	11.82	-23.01
CCCC1CCC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300012094220	0	48	0.0	-31.97	356.37	11.10	-20.87
O=C([O-])C([NH2+]CC1=CC=C(N2C=CN=C2)C=C1)C1=CC=CC(F)=C1	REAL300012094221	0	40	0.0	-38.47	337.75	11.39	-27.08
O=C([O-])C([NH2+]CC1=CC(Cl)=C2OCCOC2=C1)C1=CC=CC(F)=C1	REAL300012094223	0	39	0.0	-35.45	340.95	8.68	-26.77
O=C([O-])C([NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C1=CC=CC(F)=C1	REAL300012094224	0	46	0.0	-39.88	386.78	13.62	-26.26
O=C([O-])C([NH2+]CC1=CC(Cl)=C2OCCCOC2=C1)C1=CC=CC(F)=C1	REAL300012094225	0	42	0.0	-36.79	360.70	9.49	-27.30
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C1=CC=CC(F)=C1	REAL300012094226	0	47	0.0	-32.12	404.30	12.81	-19.31
COC1=CC=C(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094227	0	40	0.0	-31.63	331.36	9.03	-22.60
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1F	REAL300012094228	0	37	0.0	-34.63	317.52	8.38	-26.25
O=C([O-])C([NH2+]CC1CCC(C(F)(F)F)CC1)C1=CC=CC(F)=C1	REAL300012094229	0	42	0.0	-39.25	331.38	9.96	-29.29
CC(C)C1CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)CCO1	REAL300012094230	0	46	0.0	-35.98	352.93	9.04	-26.94
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C1=CC=CC(F)=C1	REAL300012094231	0	40	0.0	-37.35	358.95	9.78	-27.57
CCSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094234	0	40	0.0	-34.30	343.48	10.86	-23.44
O=C([O-])C([NH2+]CC1=C(O)C=CC(Cl)=C1F)C1=CC=CC(F)=C1	REAL300012094235	1	34	0.0	-30.99	311.05	6.67	-24.32
O=C([O-])C([NH2+]CC1=CC(Br)=C(Cl)S1)C1=CC=CC(F)=C1	REAL300012094237	0	30	0.0	-32.12	309.53	9.31	-22.81
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094238	0	43	0.0	-32.62	354.65	10.04	-22.58
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OC(C)C	REAL300012094241	0	47	0.0	-34.89	380.34	9.75	-25.14
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OCC	REAL300012094242	0	50	0.0	-34.61	405.77	10.85	-23.76
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1[N+](=O)[O-]	REAL300012094243	0	38	0.0	-35.71	327.36	10.28	-25.43
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094244	0	43	0.0	-33.37	351.08	9.86	-23.51
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094245	0	55	0.0	-32.51	440.64	13.16	-19.35
CC(C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012094246	0	54	0.0	-32.51	413.47	13.34	-19.17
O=C([O-])C([NH2+]CC1=CC(F)=CC=C1Br)C1=CC=CC(F)=C1	REAL300012094248	1	33	0.0	-30.14	301.86	9.56	-20.58
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094249	0	45	0.0	-31.20	362.99	11.69	-19.51
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=C2)C=C1	REAL300012094250	0	46	0.0	-33.75	377.41	13.09	-20.66
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094251	1	37	0.0	-27.54	325.39	8.85	-18.69
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1[N+](=O)[O-]	REAL300012094252	0	39	0.0	-39.54	337.32	9.74	-29.80
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=CC(F)=C1	REAL300012094253	0	33	0.0	-32.82	313.95	9.99	-22.83
O=C([O-])C([NH2+]CC1=CC(F)=CC(Cl)=C1)C1=CC=CC(F)=C1	REAL300012094254	0	33	0.0	-33.60	303.63	9.56	-24.04
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094256	0	46	0.0	-33.71	376.54	13.06	-20.65
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094257	0	39	0.0	-35.93	359.60	11.01	-24.92
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094258	0	37	0.0	-35.39	319.74	8.56	-26.83
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OCC	REAL300012094259	0	47	0.0	-34.61	382.93	10.01	-24.60
O=C([O-])C([NH2+]CC1=CC=C(Cl)C=C1F)C1=CC=CC(F)=C1	REAL300012094260	0	33	0.0	-35.63	304.11	9.55	-26.08
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094261	0	36	0.0	-34.62	333.69	10.42	-24.20
O=C([O-])C([NH2+]CC1=CC=C(F)C=C1Br)C1=CC=CC(F)=C1	REAL300012094262	1	33	0.0	-32.23	299.33	9.48	-22.75
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094263	0	37	0.0	-35.16	327.80	8.80	-26.36
O=C([O-])C([NH2+]CC1=CC(Cl)=CC=C1F)C1=CC=CC(F)=C1	REAL300012094264	0	33	0.0	-33.15	304.11	9.54	-23.61
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094265	0	47	0.0	-34.70	390.01	12.07	-22.63
O=C([O-])C([NH2+]CC1=CC=CC(Cl)=C1F)C1=CC=CC(F)=C1	REAL300012094267	0	33	0.0	-37.05	302.45	9.56	-27.49
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(Br)=C1O	REAL300012094269	1	38	0.0	-29.58	337.38	6.71	-22.87
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=CC(F)=C1	REAL300012094270	0	38	0.0	-34.07	317.69	8.86	-25.21
O=C([O-])C([NH2+]CC1=CSC(Br)=C1)C1=CC=CC(F)=C1	REAL300012094271	0	30	0.0	-33.86	293.45	8.69	-25.17
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OCC1=CC=CN=C1	REAL300012094272	0	50	0.0	-38.48	415.82	10.36	-28.12
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1)C1=CC=CC(F)=C1	REAL300012094273	0	43	0.0	-33.79	356.01	12.41	-21.38
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=CC(F)=C1	REAL300012094274	0	44	0.0	-33.11	355.73	8.92	-24.19
O=C([O-])C([NH2+]CC1=CC=C(Br)C(F)=C1)C1=CC=CC(F)=C1	REAL300012094275	0	33	0.0	-34.09	308.80	9.68	-24.41
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)C1=CC=CC(F)=C1	REAL300012094276	0	42	0.0	-37.18	352.15	10.86	-26.32
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=CC(F)=C1	REAL300012094277	0	42	0.0	-36.42	349.72	10.62	-25.80
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC=CC(F)=C1	REAL300012094278	0	42	0.0	-35.37	351.24	10.66	-24.71
CN1CCN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=C2)CC1	REAL300012094279	1	50	0.0	-32.32	389.72	7.69	-24.63
O=C([O-])C([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=CC=CC(F)=C1	REAL300012094280	0	42	0.0	-36.54	363.21	7.51	-29.03
CNC(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094281	0	40	0.0	-38.30	338.26	7.29	-31.01
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CC=CC(F)=C1	REAL300012094282	0	40	0.0	-38.32	347.05	10.29	-28.03
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=CC=CC(F)=C1	REAL300012094283	0	40	0.0	-37.74	357.37	10.74	-27.00
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC(C)=C1OCC1=CC=CC=N1	REAL300012094284	0	52	0.0	-34.87	426.34	12.07	-22.80
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1=CC=CC(F)=C1	REAL300012094285	0	40	0.0	-34.56	350.81	9.64	-24.92
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2C=C1)C1=CC=CC(F)=C1	REAL300012094286	0	39	0.0	-32.59	325.98	11.20	-21.39
CC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1[N+](=O)[O-]	REAL300012094288	0	44	0.0	-43.18	366.84	11.51	-31.67
O=C([O-])C([NH2+]CC1=CC(Br)=C2OCOC2=C1)C1=CC=CC(F)=C1	REAL300012094289	0	36	0.0	-35.90	329.15	8.29	-27.61
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OCC(C)C	REAL300012094290	0	53	0.0	-34.42	425.85	11.53	-22.89
O=C([O-])C([NH2+]CC1=CC(Br)=CC=C1F)C1=CC=CC(F)=C1	REAL300012094291	0	33	0.0	-32.95	308.68	9.65	-23.30
COC1=CC(Br)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094292	1	41	0.0	-32.18	350.23	8.62	-23.56
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1F)C1=CC=CC(F)=C1	REAL300012094293	0	33	0.0	-35.25	307.36	9.63	-25.62
COC1=CC(OC)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094294	0	41	0.0	-33.56	340.80	7.62	-25.94
COC1=CC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=C2C=C1	REAL300012094295	0	43	0.0	-35.88	357.25	10.55	-25.33
O=C([O-])C([NH2+]CC1=CC(Br)=CS1)C1=CC=CC(F)=C1	REAL300012094297	0	30	0.0	-31.47	293.51	8.74	-22.73
CCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OCC	REAL300012094298	0	53	0.0	-34.39	425.95	11.60	-22.79
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2NC1=O)C1=CC=CC(F)=C1	REAL300012094300	0	39	0.0	-30.00	330.84	8.03	-21.97
O=C([O-])C([NH2+]CC1=CC=C(F)C(Br)=C1)C1=CC=CC(F)=C1	REAL300012094302	0	33	0.0	-33.56	307.48	9.63	-23.93
CC1=CC=C(COC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=C2)C=C1	REAL300012094303	0	50	0.0	-34.05	414.47	12.97	-21.08
O=C([O-])C([NH2+]CC1=CC=C(N2CCCCC2)C=C1)C1=CC=CC(F)=C1	REAL300012094304	0	48	0.0	-31.74	373.42	10.26	-21.48
CCCCCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094305	0	52	0.0	-33.73	417.84	12.35	-21.38
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1SC	REAL300012094306	0	41	0.0	-34.53	349.39	9.32	-25.21
N#CCCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094307	0	44	0.0	-41.34	374.19	10.52	-30.82
CCCCCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OC	REAL300012094308	0	53	0.0	-34.45	425.60	11.46	-22.99
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OC	REAL300012094309	0	50	0.0	-34.59	401.08	10.54	-24.05
CCCCCCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094310	0	55	0.0	-33.64	439.34	13.13	-20.51
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OCCCC#N	REAL300012094311	0	48	0.0	-44.53	404.78	10.45	-34.08
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OC	REAL300012094312	0	48	0.0	-35.27	393.36	10.45	-24.82
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OCCC(C)C	REAL300012094313	0	53	0.0	-34.36	421.64	11.20	-23.16
C=CCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC(OC)=C1O	REAL300012094314	0	45	0.0	-34.40	374.74	8.10	-26.30
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1=CC=CC(F)=C1	REAL300012094315	0	40	0.0	-35.88	339.88	8.90	-26.98
O=C([O-])C([NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1)C1=CC=CC(F)=C1	REAL300012094318	0	46	0.0	-34.19	374.52	8.11	-26.08
CN1C=NC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=CC=C21	REAL300012094319	0	39	0.0	-39.70	328.89	10.33	-29.37
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1Cl	REAL300012094320	0	41	0.0	-33.32	362.08	10.37	-22.95
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C2OC(C)CC2=C1	REAL300012094322	0	45	0.0	-33.35	366.92	8.85	-24.50
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=CC=C2O1	REAL300012094323	0	44	0.0	-34.06	357.90	10.23	-23.83
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094326	0	36	0.0	-34.94	337.27	10.50	-24.44
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1Cl)C1=CC=CC(F)=C1	REAL300012094327	0	33	0.0	-32.41	312.25	9.97	-22.44
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(Br)=C1	REAL300012094328	0	36	0.0	-30.25	314.36	10.08	-20.17
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094329	0	46	0.0	-32.52	374.75	10.73	-21.79
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094330	0	44	0.0	-34.43	364.85	8.45	-25.98
N#CC1=CC=CC=C1COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094331	0	48	0.0	-35.78	409.23	12.67	-23.11
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C1=CC=CC(F)=C1	REAL300012094332	0	37	0.0	-35.24	337.08	9.13	-26.11
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1)OCO2	REAL300012094334	0	40	0.0	-31.90	334.65	6.99	-24.91
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094335	0	46	0.0	-33.80	374.78	10.73	-23.07
CC1=CC(Cl)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094336	0	36	0.0	-31.09	310.02	10.03	-21.06
O=C([O-])C([NH2+]CC=CC1=CC=C(F)C=C1)C1=CC=CC(F)=C1	REAL300012094337	0	37	0.0	-36.35	317.95	10.35	-26.00
O=C([O-])C([NH2+]CC1=CN=CC(Br)=C1)C1=CC=CC(F)=C1	REAL300012094338	0	32	0.0	-34.00	296.65	7.80	-26.20
CN1N=NC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=CC=C21	REAL300012094339	0	38	0.0	-37.52	325.79	7.45	-30.07
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=C2O1	REAL300012094340	0	44	0.0	-33.62	357.79	10.19	-23.43
O=C([O-])C([NH2+]CC1=CC(Br)=CC2=C1OCC2)C1=CC=CC(F)=C1	REAL300012094341	0	38	0.0	-31.97	337.55	9.44	-22.53
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=CC(F)=C1	REAL300012094342	0	40	0.0	-32.80	338.23	10.15	-22.65
CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094343	0	33	0.0	-33.22	311.37	9.39	-23.83
O=C([O-])C([NH2+]CC1=CC=C(Br)C2=CC=CN=C12)C1=CC=CC(F)=C1	REAL300012094344	0	38	0.0	-34.07	338.79	10.02	-24.05
CC1=NC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=C2C=C1	REAL300012094345	0	41	0.0	-35.52	344.50	9.98	-25.54
COC1=CC=C(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=C2)C=C1	REAL300012094346	0	48	0.0	-35.24	398.06	11.09	-24.15
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=C2)=C1	REAL300012094347	0	49	0.0	-33.57	398.81	13.75	-19.82
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1N1C=NC=N1	REAL300012094348	0	42	0.0	-38.14	354.88	12.51	-25.63
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CC=CC(F)=C1	REAL300012094350	0	40	0.0	-36.61	346.16	9.55	-27.06
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094351	0	40	0.0	-33.89	336.88	8.73	-25.16
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094352	0	43	0.0	-35.71	374.98	11.27	-24.44
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)C1=CC=CC(F)=C1	REAL300012094353	0	47	0.0	-36.13	398.18	12.33	-23.80
O=C([O-])C([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1=CC=CC(F)=C1	REAL300012094354	0	44	0.0	-34.54	380.47	13.05	-21.49
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094355	0	44	0.0	-34.43	355.32	8.81	-25.62
CSC1=CC(Br)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094357	0	37	0.0	-31.11	334.69	10.43	-20.68
O=C([O-])C([NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1)C1=CC=CC(F)=C1	REAL300012094358	0	43	0.0	-40.19	372.46	10.75	-29.44
CC(C)(C)C1CCC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300012094360	0	51	0.0	-31.93	371.64	11.31	-20.62
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094361	0	47	0.0	-33.68	384.09	11.79	-21.89
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094362	0	46	0.0	-32.01	377.32	9.96	-22.05
O=C([O-])C([NH2+]CC1=CC=C(OCC2CC2)C=C1)C1=CC=CC(F)=C1	REAL300012094363	0	44	0.0	-33.59	364.83	10.82	-22.77
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1Cl	REAL300012094364	0	37	0.0	-29.14	338.07	9.24	-19.90
CC1=CC(Br)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094369	0	36	0.0	-31.03	314.59	10.14	-20.89
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(Br)=C1)C1=CC=CC(F)=C1	REAL300012094370	0	33	0.0	-33.10	317.92	10.08	-23.02
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)C1=CC=CC(F)=C1	REAL300012094371	0	42	0.0	-38.33	355.67	10.71	-27.62
O=C([O-])C([NH2+]CC1=C(Cl)OC2=CC=CC=C21)C1=CC=CC(F)=C1	REAL300012094372	0	36	0.0	-29.01	325.94	9.96	-19.05
O=C([O-])C([NH2+]CC1=CC=C(Cl)C=C1Br)C1=CC=CC(F)=C1	REAL300012094373	1	33	0.0	-31.95	312.20	10.01	-21.94
COC1=C(Br)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094374	0	37	0.0	-28.27	331.67	9.08	-19.19
O=C([O-])C([NH2+]CC1=CC=C2OCCOC2=C1)C1=CC=CC(F)=C1	REAL300012094378	0	39	0.0	-33.74	326.30	8.17	-25.57
O=C([O-])C([NH2+]CC1=CC=CC(Br)=C1)C1=CC=CC(F)=C1	REAL300012094379	0	33	0.0	-33.95	301.78	9.59	-24.36
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC=C2)N=C1)C1=CC=CC(F)=C1	REAL300012094380	0	40	0.0	-34.87	340.63	10.22	-24.65
O=C([O-])C([NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1)C1=CC=CC(F)=C1	REAL300012094381	0	43	0.0	-39.49	378.66	11.15	-28.34
CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=N1	REAL300012094382	0	42	0.0	-35.16	343.24	8.80	-26.36
CC(=O)NC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094383	0	40	0.0	-36.88	338.15	7.90	-28.98
O=C([O-])C([NH2+]CC1=CC=CC([N+](=O)[O-])=C1)C1=CC=CC(F)=C1	REAL300012094384	0	35	0.0	-43.58	310.01	9.68	-33.90
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1)C1=CC=CC(F)=C1	REAL300012094385	0	35	0.0	-39.79	308.09	9.62	-30.17
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094386	0	41	0.0	-31.53	331.38	9.36	-22.17
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094387	0	47	0.0	-31.28	376.92	11.31	-19.97
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1)C1=CC=CC(F)=C1	REAL300012094388	0	33	0.0	-33.21	303.08	9.63	-23.58
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC(OC)=C1OC	REAL300012094389	0	45	0.0	-36.78	372.39	8.09	-28.69
COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1OC	REAL300012094390	0	41	0.0	-28.82	340.53	8.28	-20.54
O=C([O-])C([NH2+]CC1=CC=C(Cl)C=C1Cl)C1=CC=CC(F)=C1	REAL300012094391	0	33	0.0	-32.38	307.68	9.86	-22.52
O=C([O-])C([NH2+]CC1=CC=C(N2CCOCC2)C=C1)C1=CC=CC(F)=C1	REAL300012094392	0	46	0.0	-33.06	364.50	7.81	-25.25
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094393	0	41	0.0	-34.98	339.22	8.17	-26.81
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(OC)=C1	REAL300012094394	0	41	0.0	-33.48	338.09	7.63	-25.85
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1)C1=CC=CC(F)=C1	REAL300012094395	0	36	0.0	-34.80	320.52	10.01	-24.79
O=C([O-])C([NH2+]CC1=CC=CC(Cl)=C1Cl)C1=CC=CC(F)=C1	REAL300012094396	0	33	0.0	-33.25	304.67	9.81	-23.44
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(Cl)=C1)C1=CC=CC(F)=C1	REAL300012094397	0	33	0.0	-33.27	313.71	9.98	-23.29
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094398	0	54	0.0	-32.43	431.85	14.13	-18.30
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C=C1)C1=CC=CC(F)=C1	REAL300012094399	0	37	0.0	-35.53	319.12	8.53	-27.00
CCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094400	0	46	0.0	-32.23	374.22	10.76	-21.47
CC(C)CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094401	0	49	0.0	-32.12	391.79	11.28	-20.84
CCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094402	0	52	0.0	-32.52	419.14	12.38	-20.14
O=C([O-])C([NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=CC(F)=C1	REAL300012094403	0	44	0.0	-36.34	370.49	11.85	-24.49
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094404	0	44	0.0	-34.83	361.07	9.09	-25.74
CC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094405	0	42	0.0	-31.29	342.01	10.94	-20.35
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094406	0	36	0.0	-36.03	319.21	9.97	-26.06
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(OC)=C1OC	REAL300012094407	0	45	0.0	-30.07	366.64	7.97	-22.10
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OCC1=CC=CC=C1	REAL300012094408	0	51	0.0	-36.09	420.98	12.15	-23.94
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094409	0	40	0.0	-32.84	333.15	9.23	-23.61
COC1=CC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094410	0	37	0.0	-31.44	331.25	8.98	-22.46
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC(Br)=C1O	REAL300012094411	0	38	0.0	-34.11	341.15	6.75	-27.36
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1)C1=CC=CC(F)=C1	REAL300012094412	0	43	0.0	-33.50	356.01	12.42	-21.08
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094413	0	37	0.0	-32.74	322.00	10.03	-22.71
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094414	0	45	0.0	-31.87	368.57	7.58	-24.29
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1)C1=CC=CC(F)=C1	REAL300012094415	0	47	0.0	-35.60	393.06	12.30	-23.30
O=C([O-])C([NH2+]CC1=CC=CC=C1Br)C1=CC=CC(F)=C1	REAL300012094416	0	33	0.0	-30.53	294.32	9.53	-21.00
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1O	REAL300012094417	0	38	0.0	-33.94	320.73	6.11	-27.83
O=C([O-])C([NH2+]CC1=CN(CC(F)(F)F)N=C1)C1=CC=CC(F)=C1	REAL300012094418	0	36	0.0	-37.06	322.70	8.15	-28.91
O=C([O-])C([NH2+]CC1=CC=CC=C1I)C1=CC=CC(F)=C1	REAL300012094419	1	33	0.0	-28.54	295.17	9.80	-18.74
O=C([O-])C([NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1)C1=CC=CC(F)=C1	REAL300012094420	0	50	0.0	-36.59	403.51	12.22	-24.37
CN(CCC#N)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094421	0	45	0.0	-37.56	375.97	10.86	-26.70
CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1OC	REAL300012094422	0	44	0.0	-28.55	362.38	9.20	-19.35
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OCC(N)=O	REAL300012094423	0	45	0.0	-47.04	379.12	6.17	-40.87
CCNC(=O)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094424	0	51	0.0	-43.75	422.54	8.45	-35.30
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC2=C1OCO2	REAL300012094425	0	40	0.0	-36.28	336.09	6.92	-29.36
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1)OC(C)C2	REAL300012094427	0	45	0.0	-31.08	365.45	8.92	-22.16
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC(OC)=C1OCC(N)=O	REAL300012094428	0	49	0.0	-44.51	412.29	5.97	-38.54
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC(Cl)=C1OCC(N)=O	REAL300012094429	0	45	0.0	-42.18	399.10	6.82	-35.36
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1C	REAL300012094431	0	40	0.0	-32.60	330.05	9.02	-23.58
COC1=CC=C(F)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094432	0	37	0.0	-29.58	314.49	8.30	-21.28
O=C([O-])C([NH2+]CC1=CC=CC(I)=C1)C1=CC=CC(F)=C1	REAL300012094433	0	33	0.0	-34.11	309.57	10.10	-24.01
O=C([O-])C([NH2+]CC1=CC=C(I)C=C1)C1=CC=CC(F)=C1	REAL300012094434	0	33	0.0	-32.56	307.64	10.05	-22.51
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)S1	REAL300012094435	1	34	0.0	-30.32	314.00	9.30	-21.02
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCO2)C1=CC=CC(F)=C1	REAL300012094436	0	36	0.0	-29.57	307.82	7.66	-21.91
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094437	0	39	0.0	-40.25	340.56	6.47	-33.78
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1=CC=CC(F)=C1	REAL300012094438	0	43	0.0	-34.12	372.73	12.95	-21.17
COC1=CC=C(F)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094439	0	37	0.0	-31.78	315.03	8.40	-23.38
NC(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094440	0	37	0.0	-38.26	316.33	5.79	-32.47
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1F	REAL300012094441	0	37	0.0	-35.83	316.20	8.34	-27.49
COC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094442	0	37	0.0	-31.56	326.68	8.87	-22.69
COC(=O)C1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CN1C	REAL300012094443	0	40	0.0	-41.25	339.91	9.17	-32.08
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1Cl	REAL300012094444	0	36	0.0	-33.84	315.93	10.08	-23.76
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1C	REAL300012094445	0	40	0.0	-32.79	330.05	9.02	-23.77
N#CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(F)=C1	REAL300012094446	0	34	0.0	-33.46	308.19	9.41	-24.05
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C1=CC=CC(F)=C1	REAL300012094447	0	46	0.0	-33.72	383.91	10.54	-23.18
O=C([O-])C([NH2+]CC1=CC=C(Br)C=N1)C1=CC=CC(F)=C1	REAL300012094448	0	32	0.0	-29.02	298.11	7.78	-21.24
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094450	0	42	0.0	-33.37	358.50	10.50	-22.87
CC1=NN(C)C2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=C12	REAL300012094451	0	41	0.0	-38.12	348.07	8.74	-29.38
O=C([O-])C([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C1=CC=CC(F)=C1	REAL300012094453	1	36	0.0	-37.40	324.18	9.99	-27.41
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OC	REAL300012094454	0	47	0.0	-30.99	385.38	9.22	-21.77
NC(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094455	0	37	0.0	-42.88	316.34	5.78	-37.10
O=C([O-])C([NH2+]CC1=NC=CN1CC(F)(F)F)C1=CC=CC(F)=C1	REAL300012094456	1	36	0.0	-31.79	317.38	8.43	-23.36
COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1F	REAL300012094458	0	37	0.0	-29.72	316.67	8.34	-21.38
O=C([O-])C([NH2+]CC1=CSC=C1Br)C1=CC=CC(F)=C1	REAL300012094459	1	30	0.0	-26.13	288.19	8.47	-17.66
O=C([O-])C([NH2+]CC1=CC(F)=CC(Br)=C1)C1=CC=CC(F)=C1	REAL300012094461	0	33	0.0	-33.48	308.19	9.66	-23.82
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=CC(F)=C1	REAL300012094462	0	38	0.0	-36.32	322.80	9.48	-26.84
O=C([O-])C([NH2+]CC1=CC=CC(F)=C1Br)C1=CC=CC(F)=C1	REAL300012094463	1	33	0.0	-33.47	297.24	9.47	-24.00
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094464	0	37	0.0	-33.60	317.72	8.38	-25.22
O=C([O-])C([NH2+]CC1=CC=CC(Br)=C1F)C1=CC=CC(F)=C1	REAL300012094465	0	33	0.0	-36.93	306.86	9.67	-27.26
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=N1	REAL300012094466	0	43	0.0	-35.01	353.42	8.96	-26.05
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094467	0	38	0.0	-39.99	334.00	7.60	-32.39
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC=CC(F)=C1	REAL300012094468	0	43	0.0	-31.21	343.20	11.47	-19.74
COC(=O)C1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CN1	REAL300012094469	0	37	0.0	-41.66	322.14	7.41	-34.25
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(C)=C1OC	REAL300012094470	0	44	0.0	-32.34	354.29	8.78	-23.56
O=C([O-])C([NH2+]CC1=CSC(Cl)=C1Cl)C1=CC=CC(F)=C1	REAL300012094471	1	30	0.0	-27.21	300.83	8.94	-18.27
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094472	0	40	0.0	-31.55	330.04	9.00	-22.55
O=C([O-])C([NH2+]CC1=CN=C(C(F)(F)F)S1)C1=CC=CC(F)=C1	REAL300012094473	0	32	0.0	-35.89	307.86	7.42	-28.47
CS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094474	0	39	0.0	-41.38	341.19	6.49	-34.89
O=C([O-])C([NH2+]CC1=CC=C(C2CCCC2)C=C1)C1=CC=CC(F)=C1	REAL300012094475	0	46	0.0	-31.28	365.34	12.20	-19.08
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094476	0	36	0.0	-30.92	318.62	10.14	-20.78
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094477	0	40	0.0	-32.93	334.93	8.68	-24.25
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=CC(F)=C1	REAL300012094479	0	36	0.0	-33.52	314.03	9.88	-23.64
O=C([O-])C([NH2+]CC1=CN=C(C2CC2)N=C1)C1=CC=CC(F)=C1	REAL300012094480	0	38	0.0	-35.18	322.47	8.63	-26.55
COCCN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=N1	REAL300012094481	0	40	0.0	-33.99	339.82	6.73	-27.26
O=C([O-])C([NH2+]CC1=CC=C(C2CCC2)C=C1)C1=CC=CC(F)=C1	REAL300012094482	0	43	0.0	-31.34	347.55	11.60	-19.74
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC2=CC=CC=C21	REAL300012094483	0	43	0.0	-33.35	354.96	10.58	-22.77
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1F	REAL300012094484	0	40	0.0	-34.18	338.05	9.28	-24.90
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=CC=C12	REAL300012094485	0	43	0.0	-32.45	345.76	10.35	-22.10
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1C#N	REAL300012094486	0	38	0.0	-39.99	330.18	8.69	-31.30
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(Br)=C1	REAL300012094488	0	37	0.0	-32.65	324.91	8.78	-23.87
CC(C)CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=N1	REAL300012094489	0	42	0.0	-35.73	346.15	9.18	-26.55
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094491	0	48	0.0	-39.26	391.49	11.71	-27.55
CN1C(=O)CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=CC=C21	REAL300012094492	0	44	0.0	-39.29	356.35	9.87	-29.42
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC(OC)=C1OCC(F)F	REAL300012094495	0	48	0.0	-39.82	407.25	9.34	-30.48
CC1=NN(C(C)C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094496	0	42	0.0	-34.02	344.44	8.77	-25.25
O=C([O-])C([NH2+]CC1=CC=NC2=C(Br)C=CC=C12)C1=CC=CC(F)=C1	REAL300012094497	0	38	0.0	-35.19	333.49	9.85	-25.34
O=C([O-])C([NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1)C1=CC=CC(F)=C1	REAL300012094499	0	39	0.0	-36.32	354.98	10.26	-26.06
O=C([O-])C([NH2+]CC1=CC=C(Br)C(Cl)=C1)C1=CC=CC(F)=C1	REAL300012094503	0	33	0.0	-33.32	317.92	10.08	-23.24
CN1C=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=C2)C=N1	REAL300012094505	0	43	0.0	-35.87	359.99	10.25	-25.62
O=C([O-])C([NH2+]CC1=CN(CC(F)F)N=C1)C1=CC=CC(F)=C1	REAL300012094506	0	36	0.0	-35.98	316.68	7.98	-28.00
O=C([O-])C([NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1)C1=CC=CC(F)=C1	REAL300012094507	0	44	0.0	-34.64	374.98	11.86	-22.78
CN(C)C(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)N1	REAL300012094508	0	41	0.0	-37.80	337.58	7.15	-30.65
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=N1	REAL300012094510	0	47	0.0	-37.77	390.17	11.44	-26.33
CN1N=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094514	0	33	0.0	-32.71	302.81	7.04	-25.67
CN1C=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)S2)C=N1	REAL300012094515	1	40	0.0	-36.10	355.74	9.69	-26.41
O=C([O-])C([NH2+]CC1=CC=C2OCCCCOC2=C1)C1=CC=CC(F)=C1	REAL300012094516	0	45	0.0	-37.16	360.90	9.90	-27.26
O=C([O-])C([NH2+]CC1=CC=C(F)C(Cl)=C1Cl)C1=CC=CC(F)=C1	REAL300012094517	1	33	0.0	-35.67	311.07	9.89	-25.78
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)C1=CC=CC(F)=C1	REAL300012094519	0	43	0.0	-38.92	379.35	11.22	-27.70
CC1=CC(Br)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1Cl	REAL300012094520	1	36	0.0	-29.08	329.71	10.61	-18.47
O=C([O-])C([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1)C1=CC=CC(F)=C1	REAL300012094521	1	43	0.0	-31.92	381.05	10.98	-20.94
COC(=O)C1=C(C)N(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094523	0	43	0.0	-34.29	359.85	9.52	-24.77
COCCOCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094524	0	47	0.0	-35.12	390.41	8.91	-26.21
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)SC2=C(Cl)C=CC=C12	REAL300012094526	0	39	0.0	-34.81	350.52	11.46	-23.35
O=C([O-])C([NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1)C1=CC=CC(F)=C1	REAL300012094527	0	47	0.0	-41.82	405.23	11.42	-30.40
N#CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1F	REAL300012094528	0	34	0.0	-39.26	308.55	9.45	-29.81
O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=CC(F)=C1	REAL300012094529	0	36	0.0	-39.56	321.41	8.11	-31.45
O=C([O-])C([NH2+]CC1=CC(Br)=CN=C1Cl)C1=CC=CC(F)=C1	REAL300012094531	1	32	0.0	-32.21	306.00	8.11	-24.10
COC(=O)C1=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CN1	REAL300012094532	0	40	0.0	-39.82	339.41	8.02	-31.80
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094534	0	43	0.0	-39.88	364.63	10.95	-28.93
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094535	0	43	0.0	-37.26	370.37	11.44	-25.82
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094536	0	46	0.0	-35.23	379.60	11.43	-23.80
CC(C)(C#N)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094537	0	43	0.0	-36.43	358.41	10.96	-25.47
COC1=CC(OC)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1F	REAL300012094540	0	41	0.0	-34.44	345.63	7.74	-26.70
COC1=CC(F)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094541	0	41	0.0	-36.16	345.01	8.25	-27.91
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(Cl)=C1	REAL300012094542	0	36	0.0	-31.02	312.36	10.02	-21.00
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094543	0	46	0.0	-35.48	379.72	11.42	-24.06
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(F)=C1	REAL300012094544	0	37	0.0	-36.12	315.55	8.29	-27.83
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(C)=C1	REAL300012094545	0	46	0.0	-30.94	364.45	10.49	-20.45
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=CC(F)=C1	REAL300012094546	0	35	0.0	-36.23	312.61	8.72	-27.51
O=C([O-])C([NH2+]CC1=CC=NN1CC1CC1)C1=CC=CC(F)=C1	REAL300012094550	0	40	0.0	-33.15	335.08	9.02	-24.13
O=C([O-])C([NH2+]CC1=CC=CC(OC2CC2)=C1F)C1=CC=CC(F)=C1	REAL300012094551	0	41	0.0	-29.46	345.80	9.95	-19.51
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(C)=C1	REAL300012094552	0	43	0.0	-31.18	347.96	9.85	-21.33
O=C([O-])C([NH2+]CC1=CC=CC(C2CCCC2)=C1)C1=CC=CC(F)=C1	REAL300012094553	0	46	0.0	-31.33	366.02	12.22	-19.11
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094554	1	37	0.0	-31.59	327.34	7.84	-23.75
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094557	0	33	0.0	-32.69	311.09	9.12	-23.57
CC(C)OC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1Cl	REAL300012094559	0	43	0.0	-29.20	379.77	10.85	-18.35
O=C([O-])C([NH2+]CC1=CC=C(OC2CCOC2)C=C1)C1=CC=CC(F)=C1	REAL300012094560	0	45	0.0	-35.96	367.13	8.66	-27.30
CN(C)C1=CC(F)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1F	REAL300012094561	0	41	0.0	-34.10	345.89	8.56	-25.54
COC(=O)C1=C2CCCCN2C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094562	0	47	0.0	-38.01	382.19	10.71	-27.30
O=C([O-])C([NH2+]CC1=CC=C(F)C(F)=C1F)C1=CC=CC(F)=C1	REAL300012094563	1	33	0.0	-40.98	298.93	9.18	-31.80
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC(C(F)(F)F)=C1	REAL300012094564	0	40	0.0	-34.52	348.71	9.27	-25.25
C=CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094565	0	45	0.0	-34.41	393.95	10.34	-24.07
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC1CC1	REAL300012094566	0	45	0.0	-35.48	370.27	9.84	-25.64
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094567	0	36	0.0	-37.74	323.80	7.56	-30.18
COCC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094568	0	47	0.0	-35.04	381.45	9.16	-25.88
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)S1	REAL300012094569	1	39	0.0	-29.15	336.91	10.47	-18.68
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1=CC=CC(F)=C1	REAL300012094570	0	40	0.0	-33.51	347.24	11.57	-21.94
O=C([O-])C([NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C1=CC=CC(F)=C1	REAL300012094571	0	46	0.0	-30.62	374.45	11.12	-19.50
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094572	0	42	0.0	-31.12	340.71	10.90	-20.22
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1C(C)(C)C	REAL300012094573	0	49	0.0	-31.75	381.14	10.96	-20.79
O=C([O-])C([NH2+]CC1=CC=CC(CC2CCC2)=C1)C1=CC=CC(F)=C1	REAL300012094574	0	46	0.0	-31.21	372.85	12.52	-18.69
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=NC=C1Br	REAL300012094575	0	35	0.0	-35.30	315.30	8.33	-26.97
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C(Br)C=C1F	REAL300012094576	1	36	0.0	-31.67	321.01	10.23	-21.44
O=C([O-])C([NH2+]CC1=C(O)C=CC=C1Br)C1=CC=CC(F)=C1	REAL300012094577	0	34	0.0	-31.98	308.07	6.68	-25.30
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1Cl	REAL300012094579	0	37	0.0	-34.61	326.00	8.83	-25.78
O=C([O-])C([NH2+]CC1=CC=NN1CC1CCC1)C1=CC=CC(F)=C1	REAL300012094580	0	43	0.0	-32.90	352.68	9.55	-23.35
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(Br)=N1	REAL300012094582	1	33	0.0	-29.62	305.26	7.30	-22.32
CC(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094583	0	40	0.0	-37.93	337.91	7.91	-30.02
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=CN=C21	REAL300012094584	0	38	0.0	-39.64	324.79	8.11	-31.53
O=C([O-])C([NH2+]CC1=NC=C(Br)C=C1F)C1=CC=CC(F)=C1	REAL300012094585	1	32	0.0	-30.15	303.45	7.80	-22.35
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC	REAL300012094586	0	41	0.0	-32.97	348.15	8.55	-24.42
O=C([O-])C([NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C1=CC=CC(F)=C1	REAL300012094587	0	39	0.0	-34.48	342.77	10.79	-23.69
CC(C)(C)OC(=O)NCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094588	0	53	0.0	-35.41	429.69	9.46	-25.95
CN1N=C2CCCCC2=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094589	0	43	0.0	-32.75	344.68	8.97	-23.78
CCOC(=O)C1=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C(C)N1	REAL300012094590	0	46	0.0	-32.03	382.15	9.41	-22.62
O=C([O-])C([NH2+]CC1=CN=C(Cl)C(F)=C1)C1=CC=CC(F)=C1	REAL300012094591	0	32	0.0	-37.36	299.39	7.70	-29.66
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1)C1=CC=CC(F)=C1	REAL300012094592	0	43	0.0	-35.68	373.49	12.95	-22.73
O=C([O-])C([NH2+]CC1=CC=C(Br)C(F)=C1F)C1=CC=CC(F)=C1	REAL300012094593	1	33	0.0	-39.29	311.92	9.69	-29.60
O=C([O-])C([NH2+]CC1=C(Br)SC=C1)C1=CC=CC(F)=C1	REAL300012094594	1	30	0.0	-29.89	287.17	8.60	-21.29
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C(F)C=C1OC	REAL300012094595	0	44	0.0	-35.90	366.86	9.16	-26.74
O=C([O-])C([NH2+]CC1=CC=CN=C1Br)C1=CC=CC(F)=C1	REAL300012094596	1	32	0.0	-33.83	286.75	7.55	-26.28
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C(F)C=C1Br	REAL300012094597	0	37	0.0	-35.45	334.28	8.95	-26.50
O=C([O-])C([NH2+]CC1=CC=CC(Br)=C1Cl)C1=CC=CC(F)=C1	REAL300012094598	0	33	0.0	-33.16	308.88	9.92	-23.24
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094599	0	40	0.0	-33.46	339.57	9.30	-24.16
O=C([O-])C([NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1)C1=CC=CC(F)=C1	REAL300012094600	0	47	0.0	-38.29	375.92	9.95	-28.34
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C=C1F)C1=CC=CC(F)=C1	REAL300012094601	0	37	0.0	-35.75	325.30	8.57	-27.18
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094602	0	46	0.0	-33.95	360.88	10.12	-23.83
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094603	0	36	0.0	-31.59	305.66	9.90	-21.69
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C(F)C=C1C	REAL300012094604	0	40	0.0	-33.67	334.58	9.06	-24.61
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(C)=C1Br	REAL300012094605	0	39	0.0	-29.88	332.89	10.70	-19.18
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094607	0	50	0.0	-34.79	403.87	9.25	-25.54
O=C([O-])C([NH2+]CC1=CC(Br)=CC(F)=C1O)C1=CC=CC(F)=C1	REAL300012094611	1	34	0.0	-31.41	318.95	6.90	-24.51
O=C([O-])C([NH2+]CC1=CC(F)=CC(F)=C1O)C1=CC=CC(F)=C1	REAL300012094612	1	34	0.0	-32.07	304.06	6.36	-25.71
CN1N=C2CCSCC2=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094613	0	41	0.0	-34.53	346.21	8.67	-25.86
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=CC(F)=C1	REAL300012094614	0	41	0.0	-30.06	324.78	8.86	-21.20
O=C([O-])C([NH2+]CC1=CC=C2OC(=O)OC2=C1)C1=CC=CC(F)=C1	REAL300012094615	0	35	0.0	-39.52	309.56	9.56	-29.96
CC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)S1	REAL300012094616	0	33	0.0	-31.08	314.39	9.51	-21.57
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C1=CC=CC(F)=C1	REAL300012094617	0	43	0.0	-33.82	372.74	12.93	-20.89
O=C([O-])C([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=CC(F)=C1	REAL300012094618	0	38	0.0	-33.45	316.57	9.23	-24.22
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1C	REAL300012094619	0	46	0.0	-32.38	374.72	10.78	-21.60
O=C([O-])C([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=CC(F)=C1	REAL300012094620	0	37	0.0	-38.95	317.84	7.42	-31.53
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1COC1=CC=CC=C1	REAL300012094621	0	51	0.0	-32.11	418.41	11.70	-20.41
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1CN1C=CC=N1	REAL300012094622	0	47	0.0	-35.71	392.69	9.96	-25.75
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=CC=C1[N+](=O)[O-]	REAL300012094623	0	38	0.0	-40.00	314.26	9.95	-30.05
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(F)=C1OC	REAL300012094625	0	41	0.0	-31.50	349.83	8.34	-23.16
COC(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(F)=C1	REAL300012094626	0	39	0.0	-40.88	342.15	9.69	-31.19
O=C([O-])C([NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1)C1=CC=CC(F)=C1	REAL300012094627	0	43	0.0	-32.57	366.51	9.33	-23.24
O=C([O-])C([NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1)C1=CC=CC(F)=C1	REAL300012094628	0	47	0.0	-33.79	391.74	12.25	-21.54
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094630	0	42	0.0	-30.86	344.25	11.17	-19.69
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=NC2=NN1	REAL300012094634	0	38	0.0	-40.24	323.55	7.50	-32.74
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094635	0	41	0.0	-40.40	355.38	5.72	-34.68
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CC=CC(F)=C1	REAL300012094637	0	39	0.0	-34.60	336.05	7.18	-27.42
O=C([O-])C([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1=CC=CC(F)=C1	REAL300012094638	0	38	0.0	-28.86	335.52	9.94	-18.92
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CC=CC(F)=C1	REAL300012094639	0	33	0.0	-35.78	312.65	9.32	-26.46
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094641	0	43	0.0	-34.98	364.07	11.64	-23.34
O=C([O-])C([NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1)C1=CC=CC(F)=C1	REAL300012094642	0	52	0.0	-32.83	417.60	12.35	-20.48
CC(C)C1CCC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300012094643	0	48	0.0	-33.44	349.91	10.76	-22.68
O=C([O-])C([NH2+]CC1=CN2C=CC(Br)=CC2=N1)C1=CC=CC(F)=C1	REAL300012094644	1	36	0.0	-39.73	328.78	10.10	-29.63
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094645	0	44	0.0	-34.56	368.43	10.41	-24.15
COCC1=CC=CC=C1C=C(C)C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094646	0	47	0.0	-34.67	379.01	10.57	-24.10
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=N2)C=C1	REAL300012094648	0	44	0.0	-38.57	368.80	9.48	-29.09
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094649	0	48	0.0	-32.05	401.67	12.36	-19.69
O=C([O-])C([NH2+]CC1=CC=NC=C1Br)C1=CC=CC(F)=C1	REAL300012094651	1	32	0.0	-32.59	290.30	7.76	-24.83
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(F)=C1	REAL300012094653	1	38	0.0	-42.81	340.24	3.97	-38.84
CC1=C(Br)C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094655	0	35	0.0	-32.34	310.25	8.35	-23.99
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)NC2=CC=C1	REAL300012094656	0	40	0.0	-32.87	333.33	9.56	-23.31
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)NC2=C1	REAL300012094657	0	40	0.0	-33.44	333.75	9.58	-23.86
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094658	0	39	0.0	-34.26	326.77	7.38	-26.88
O=C([O-])C([NH2+]CC1=CC=NN1C1CCOCC1)C1=CC=CC(F)=C1	REAL300012094659	0	44	0.0	-32.51	353.51	7.51	-25.00
CCC(F)(F)C(C)(C)C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094660	0	41	0.0	-35.92	321.30	9.38	-26.54
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=CC(F)=C1	REAL300012094662	0	35	0.0	-35.32	309.90	8.07	-27.25
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1C	REAL300012094664	0	39	0.0	-32.35	318.37	7.11	-25.24
CC1=CC(C)=C(C=CC[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(C)=C1	REAL300012094665	0	46	0.0	-33.60	370.52	12.10	-21.50
O=C([O-])C([NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C1=CC=CC(F)=C1	REAL300012094666	0	53	0.0	-33.98	419.89	7.82	-26.16
CC(C)(C)OC(=O)NC(C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1)CC(F)F	REAL300012094667	0	49	0.0	-35.23	392.03	7.84	-27.39
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=CC(F)=C1	REAL300012094669	0	38	0.0	-41.95	327.90	9.42	-32.53
CC1=CC(C)=C(C=CC[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1C	REAL300012094670	0	46	0.0	-33.12	367.49	11.98	-21.14
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094671	0	38	0.0	-40.41	334.04	3.91	-36.50
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1Br	REAL300012094674	0	36	0.0	-26.39	316.28	10.12	-16.27
O=C([O-])C([NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1)C1=CC=CC(F)=C1	REAL300012094675	0	44	0.0	-34.59	374.99	11.87	-22.72
O=C([O-])C([NH2+]CC1=CC=C2OCCCC2=C1)C1=CC=CC(F)=C1	REAL300012094676	0	41	0.0	-33.33	334.19	9.61	-23.72
CN(C)C(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094677	0	43	0.0	-42.15	352.65	8.82	-33.33
CCC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(Cl)=NN1	REAL300012094678	1	36	0.0	-28.27	317.95	7.08	-21.19
O=C([O-])C([NH2+]CC1=C(C2CC2)NN=C1Cl)C1=CC=CC(F)=C1	REAL300012094679	1	37	0.0	-33.28	326.84	7.93	-25.35
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C2CCCCC2=N1	REAL300012094680	0	45	0.0	-31.78	353.88	10.19	-21.59
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C(F)=C1)C1=CC=CC(F)=C1	REAL300012094682	0	36	0.0	-36.21	319.90	9.95	-26.26
COC(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1C	REAL300012094683	0	42	0.0	-35.86	351.31	10.17	-25.69
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(C)=C1	REAL300012094684	0	40	0.0	-31.37	321.09	8.76	-22.61
CC1=C(Cl)C=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1Cl	REAL300012094685	0	36	0.0	-26.91	325.37	10.41	-16.50
N#CC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094686	1	34	0.0	-31.98	318.02	9.97	-22.01
CC1CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=CC=C2O1	REAL300012094687	0	41	0.0	-34.34	338.84	9.62	-24.72
O=C([O-])C([NH2+]CC1=CC=CC2=C1OC(=O)N2)C1=CC=CC(F)=C1	REAL300012094688	0	36	0.0	-44.79	312.24	6.47	-38.32
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCC2)C1=CC=CC(F)=C1	REAL300012094689	0	38	0.0	-28.82	317.54	8.83	-19.99
CSCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094690	0	40	0.0	-32.87	345.99	10.84	-22.03
O=C([O-])C([NH2+]CC1=CN(CC2CCC2)N=C1)C1=CC=CC(F)=C1	REAL300012094691	0	43	0.0	-36.33	354.04	9.76	-26.57
CN1N=C2CCOCC2=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094692	0	41	0.0	-34.42	335.79	6.58	-27.84
CN1N=C2CCCC2=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094693	0	40	0.0	-34.14	328.55	8.48	-25.66
O=C([O-])C([NH2+]CC1=CC=NN1C1CCC1)C1=CC=CC(F)=C1	REAL300012094694	0	40	0.0	-31.29	330.58	8.81	-22.48
O=C([O-])C([NH2+]CC1=CN(C2CCC2)N=C1)C1=CC=CC(F)=C1	REAL300012094695	0	40	0.0	-35.36	328.65	8.76	-26.60
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094696	0	40	0.0	-29.65	322.77	8.81	-20.84
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=C21	REAL300012094697	0	39	0.0	-34.09	320.20	10.24	-23.85
CN(C)C(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094698	0	43	0.0	-38.12	352.85	8.86	-29.26
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(C)=C1C	REAL300012094699	0	42	0.0	-30.02	331.35	10.73	-19.29
CCNC(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094700	0	43	0.0	-37.42	357.82	8.08	-29.34
O=C([O-])C([NH2+]CC1=CN=C2CCCCCN12)C1=CC=CC(F)=C1	REAL300012094701	0	43	0.0	-34.93	337.89	9.41	-25.52
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=CC2=C1	REAL300012094702	0	40	0.0	-34.27	347.42	9.80	-24.47
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094703	0	49	0.0	-37.26	394.05	10.78	-26.48
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=CC=C21	REAL300012094704	0	45	0.0	-32.47	359.79	9.60	-22.87
CCN(C)C(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094705	0	46	0.0	-37.93	374.66	9.87	-28.06
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=NN1C(C)C	REAL300012094706	0	42	0.0	-31.09	341.59	8.78	-22.31
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1Cl	REAL300012094707	0	37	0.0	-33.09	337.02	10.47	-22.62
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1C1CC1	REAL300012094708	0	43	0.0	-31.24	347.50	11.59	-19.65
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=N1	REAL300012094709	0	39	0.0	-36.50	330.74	6.65	-29.85
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1C1CC1	REAL300012094710	0	43	0.0	-30.88	348.85	11.63	-19.25
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C(C)=C2)C=C1	REAL300012094711	0	46	0.0	-37.42	373.57	11.29	-26.13
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1=CC=CC(F)=C1	REAL300012094712	0	39	0.0	-34.21	351.07	10.83	-23.38
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094713	0	43	0.0	-35.76	367.11	11.16	-24.60
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=C2)C=C1Cl	REAL300012094715	0	43	0.0	-35.85	378.71	11.29	-24.56
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Br)=C1)C1=CC=CC(F)=C1	REAL300012094718	0	33	0.0	-32.91	319.83	10.12	-22.79
CC(C)(C)OC(=O)NCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094720	0	53	0.0	-35.79	427.76	9.41	-26.38
COC(=O)C1=C2COCCN2C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094721	0	45	0.0	-35.03	373.29	8.31	-26.72
O=C([O-])C([NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1)C1=CC=CC(F)=C1	REAL300012094722	0	50	0.0	-40.23	395.40	10.90	-29.33
CN1N=C(C2CC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094723	0	40	0.0	-32.50	332.80	8.63	-23.87
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094724	0	43	0.0	-36.31	352.56	11.98	-24.33
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C1=CC=CC(F)=C1	REAL300012094725	0	36	0.0	-36.94	342.83	10.82	-26.12
COC1=NC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1F	REAL300012094727	1	36	0.0	-39.81	314.47	5.76	-34.05
O=C([O-])C([NH2+]CC1=CC=C(F)C(Br)=C1F)C1=CC=CC(F)=C1	REAL300012094728	0	33	0.0	-39.24	312.65	9.70	-29.54
CC(C)(C)OC(=O)N1CCC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)CC1	REAL300012094732	0	53	0.0	-42.19	405.53	10.02	-32.17
CC1=CC(Br)=CN=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094733	0	35	0.0	-27.08	310.95	8.25	-18.83
O=C([O-])C([NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094734	0	39	0.0	-40.64	355.68	6.93	-33.71
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=C2C1C	REAL300012094735	0	44	0.0	-33.45	355.20	10.11	-23.34
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OC(F)F	REAL300012094736	0	40	0.0	-35.99	341.12	9.33	-26.66
CC1=NC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1Br	REAL300012094737	1	35	0.0	-27.35	327.17	8.73	-18.62
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)NN=C1C(F)(F)F	REAL300012094738	0	36	0.0	-35.02	317.31	6.90	-28.12
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=CC(F)=C1	REAL300012094741	0	33	0.0	-36.90	301.55	6.31	-30.59
O=C([O-])C([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=CC(F)=C1	REAL300012094742	0	38	0.0	-35.41	316.33	8.82	-26.59
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094743	0	37	0.0	-34.16	320.70	9.99	-24.17
CCCN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(C)=N1	REAL300012094745	0	42	0.0	-34.40	345.28	8.96	-25.44
O=C([O-])C([NH2+]CC1=CC=C(CC2CC2)S1)C1=CC=CC(F)=C1	REAL300012094747	1	40	0.0	-29.33	347.02	11.26	-18.07
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=CC(F)=C1	REAL300012094748	0	41	0.0	-33.70	340.42	9.92	-23.78
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C1=CC=CC(F)=C1	REAL300012094749	0	37	0.0	-34.89	332.05	8.78	-26.11
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094750	0	39	0.0	-36.32	353.02	10.89	-25.43
CC1=NC=CN1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(C)=C1	REAL300012094751	0	46	0.0	-36.32	371.32	11.93	-24.39
CC1=C(C)N(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=C2)C=N1	REAL300012094752	0	46	0.0	-38.67	379.52	12.62	-26.05
CNC(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094753	0	40	0.0	-42.93	336.96	7.25	-35.68
O=C([O-])C([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CC=CC(F)=C1	REAL300012094754	0	47	0.0	-31.02	376.80	13.04	-17.98
CCNC(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094756	0	43	0.0	-42.49	358.45	8.09	-34.40
O=C([O-])C([NH2+]CC1=CC(C2CCC2)=NN1)C1=CC=CC(F)=C1	REAL300012094758	0	40	0.0	-34.14	328.92	7.91	-26.23
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094759	0	43	0.0	-34.41	361.87	10.14	-24.27
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094760	0	44	0.0	-31.95	351.90	9.47	-22.48
O=C([O-])C([NH2+]CC1=CC2=C(Br)C=CC=C2S1)C1=CC=CC(F)=C1	REAL300012094761	0	36	0.0	-32.02	339.63	11.11	-20.91
O=C([O-])C([NH2+]CC1=NN(CC(F)(F)F)C=C1)C1=CC=CC(F)=C1	REAL300012094762	1	36	0.0	-34.14	324.10	8.07	-26.07
O=C([O-])C([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C1=CC=CC(F)=C1	REAL300012094763	0	43	0.0	-29.00	354.56	11.05	-17.95
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=CC(F)=C1	REAL300012094765	0	36	0.0	-31.23	319.07	9.90	-21.33
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=CC(F)=C1	REAL300012094766	0	41	0.0	-32.90	328.02	9.00	-23.90
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094767	0	40	0.0	-31.10	347.21	9.77	-21.33
O=C([O-])C([NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1)C1=CC=CC(F)=C1	REAL300012094770	0	35	0.0	-40.86	315.10	9.72	-31.14
O=C([O-])C([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC=CC(F)=C1	REAL300012094771	0	46	0.0	-34.98	366.45	10.06	-24.92
O=C([O-])C([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1)C1=CC=CC(F)=C1	REAL300012094772	1	40	0.0	-33.72	354.37	10.46	-23.26
CN(CCO)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=N1	REAL300012094773	0	44	0.0	-34.20	361.38	6.58	-27.62
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=CC=C1C(C)(C)C	REAL300012094774	0	49	0.0	-27.21	374.14	10.72	-16.49
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=N1	REAL300012094776	0	39	0.0	-33.78	324.07	6.32	-27.46
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1O	REAL300012094777	0	41	0.0	-35.24	337.40	6.68	-28.56
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C1=CC=CC(F)=C1	REAL300012094778	0	39	0.0	-45.02	336.62	8.07	-36.95
CN1C(=O)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC2=CC=CC=C21	REAL300012094779	0	42	0.0	-29.89	347.83	9.77	-20.12
COC1=NC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1C	REAL300012094780	0	39	0.0	-28.99	327.80	6.36	-22.63
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=CC(F)=C1	REAL300012094781	0	40	0.0	-37.82	336.98	8.89	-28.93
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=CC(F)=C1	REAL300012094782	0	46	0.0	-31.34	372.91	12.53	-18.81
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094783	0	43	0.0	-35.26	376.06	9.72	-25.54
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094784	0	50	0.0	-36.14	403.61	9.26	-26.88
O=C([O-])C([NH2+]CC1=CC=NN1C1CC1(F)F)C1=CC=CC(F)=C1	REAL300012094785	0	37	0.0	-38.37	325.52	8.56	-29.81
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094786	0	39	0.0	-34.47	333.70	10.50	-23.97
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1=CC=CC(F)=C1	REAL300012094787	0	39	0.0	-34.21	344.72	9.79	-24.42
O=C([O-])C([NH2+]CC1=CC(F)=CC(F)=C1F)C1=CC=CC(F)=C1	REAL300012094789	1	33	0.0	-36.67	300.07	9.16	-27.51
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1=CC=CC(F)=C1	REAL300012094790	0	40	0.0	-33.15	347.36	11.43	-21.72
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(Br)=C1F)C1=CC=CC(F)=C1	REAL300012094792	0	33	0.0	-38.30	321.77	10.12	-28.18
O=C([O-])C([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1=CC=CC(F)=C1	REAL300012094793	0	44	0.0	-34.10	385.31	12.31	-21.79
COC1=CC=CC(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=C2)=C1	REAL300012094794	0	48	0.0	-37.53	399.99	11.15	-26.38
CCN1CCCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=CC=C21	REAL300012094795	0	48	0.0	-31.72	369.44	9.99	-21.73
CN1N=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1Br	REAL300012094796	1	33	0.0	-31.44	304.54	7.21	-24.23
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094797	0	48	0.0	-36.11	401.09	11.79	-24.32
O=C([O-])C([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094798	0	37	0.0	-34.51	336.89	10.43	-24.08
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C1=CC=CC(F)=C1	REAL300012094799	0	47	0.0	-35.82	409.83	12.81	-23.01
O=C([O-])C([NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C1=CC=CC(F)=C1	REAL300012094800	0	46	0.0	-35.27	375.01	9.68	-25.59
O=C([O-])C([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=CC(F)=C1	REAL300012094801	0	41	0.0	-32.97	335.53	9.10	-23.87
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)SC2=CC(F)=CC=C12	REAL300012094802	0	39	0.0	-34.57	342.34	11.14	-23.43
O=C([O-])C([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=CC=CC(F)=C1	REAL300012094803	0	39	0.0	-36.88	334.49	7.11	-29.77
O=C([O-])C([NH2+]CC1=CC=CC(OCC2CCC2)=C1)C1=CC=CC(F)=C1	REAL300012094804	0	47	0.0	-30.56	379.47	11.30	-19.26
CC(F)(F)C1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094805	0	39	0.0	-34.85	320.42	10.46	-24.39
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OCCO	REAL300012094806	0	45	0.0	-37.87	372.45	6.01	-31.86
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1OCCO	REAL300012094807	0	45	0.0	-37.35	372.44	6.01	-31.34
O=C([O-])C([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=CC(F)=C1	REAL300012094808	0	38	0.0	-35.70	320.87	9.42	-26.28
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC=C1OCC1CCCO1	REAL300012094809	0	52	0.0	-39.01	419.47	9.65	-29.36
CC1=CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=C2O1	REAL300012094810	0	39	0.0	-35.04	329.71	10.13	-24.91
O=C([O-])C([NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1)C1=CC=CC(F)=C1	REAL300012094812	0	42	0.0	-35.75	379.12	10.75	-25.00
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C1=CC=CC(F)=C1	REAL300012094814	0	36	0.0	-37.21	326.11	10.03	-27.18
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1F	REAL300012094815	0	43	0.0	-34.13	355.99	9.90	-24.23
O=C([O-])C([NH2+]CC1=CC=C(F)C(Cl)=C1F)C1=CC=CC(F)=C1	REAL300012094817	0	33	0.0	-39.25	308.39	9.60	-29.65
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094818	0	36	0.0	-36.62	315.96	9.94	-26.68
O=C([O-])C([NH2+]CC1=C(F)C2=CC=CC=C2C=C1)C1=CC=CC(F)=C1	REAL300012094819	0	39	0.0	-35.71	332.34	11.27	-24.44
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=NN1C1CCC1	REAL300012094821	0	43	0.0	-31.43	349.23	9.48	-21.95
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1)C1=CC=CC(F)=C1	REAL300012094822	0	40	0.0	-35.82	357.36	10.74	-25.08
O=C([O-])C([NH2+]CC1=CC=NN1CC(F)F)C1=CC=CC(F)=C1	REAL300012094824	0	36	0.0	-34.61	312.69	7.81	-26.80
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C1=CC=CC(F)=C1	REAL300012094825	0	40	0.0	-35.88	345.72	10.26	-25.62
O=C([O-])C([NH2+]CC1=NN(CC(F)F)C=C1)C1=CC=CC(F)=C1	REAL300012094828	1	36	0.0	-32.69	319.22	7.87	-24.82
O=C([O-])C([NH2+]CC1=NN(C2CC2(F)F)C=C1)C1=CC=CC(F)=C1	REAL300012094829	1	37	0.0	-32.75	326.42	8.42	-24.33
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094830	0	49	0.0	-31.51	386.10	10.63	-20.88
O=C([O-])C([NH2+]CC1=CN(C2CCOCC2)N=C1)C1=CC=CC(F)=C1	REAL300012094831	0	44	0.0	-33.20	355.91	7.62	-25.58
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094832	0	47	0.0	-33.95	374.85	8.18	-25.77
O=C([O-])C([NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C1=CC=CC(F)=C1	REAL300012094833	0	38	0.0	-32.00	341.52	10.11	-21.89
NS(=O)(=O)C1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094835	1	35	0.0	-39.08	327.62	3.01	-36.07
O=C([O-])C([NH2+]CC1=NC=C(Cl)C=C1Cl)C1=CC=CC(F)=C1	REAL300012094836	1	32	0.0	-27.93	307.64	8.10	-19.83
O=C([O-])C([NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1)C1=CC=CC(F)=C1	REAL300012094837	0	48	0.0	-39.19	386.01	8.46	-30.73
CC1=NN(C2CCCC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094838	0	46	0.0	-31.27	365.20	9.98	-21.29
O=C([O-])C([NH2+]CC1=CC=CC=C1C(F)F)C1=CC=CC(F)=C1	REAL300012094839	0	36	0.0	-33.17	302.85	9.88	-23.29
CC1=CC(Br)=C(F)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094840	0	36	0.0	-27.92	327.01	10.29	-17.63
O=C([O-])C([NH2+]CC1=CC=C(Br)C(Cl)=C1F)C1=CC=CC(F)=C1	REAL300012094841	0	33	0.0	-38.22	321.93	10.12	-28.10
COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1Br	REAL300012094842	1	37	0.0	-27.07	324.77	8.84	-18.23
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(F)=C1F)C1=CC=CC(F)=C1	REAL300012094843	1	33	0.0	-39.44	307.50	9.58	-29.86
CN1C=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)=C2)C=N1	REAL300012094844	0	43	0.0	-37.23	360.61	10.26	-26.97
COC1=CC(F)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1Br	REAL300012094845	0	37	0.0	-30.46	335.34	8.93	-21.53
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)C1=CC=CC(F)=C1	REAL300012094846	0	43	0.0	-42.93	367.05	11.38	-31.55
CC1=CC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094847	0	36	0.0	-29.30	314.59	10.14	-19.16
COC1=C(C#N)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094848	0	38	0.0	-32.53	330.18	8.79	-23.74
COC1=NC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(F)=C3)C=C2S1	REAL300012094849	0	39	0.0	-35.63	346.22	6.83	-28.80
O=C([O-])C([NH2+]CC1=CC=NC(Br)=C1)C1=CC=CC(F)=C1	REAL300012094850	0	32	0.0	-37.55	298.14	7.74	-29.81
O=C([O-])C([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C1=CC=CC(F)=C1	REAL300012094851	1	33	0.0	-32.27	312.51	9.88	-22.39
CC1=NC(Cl)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094852	0	35	0.0	-32.82	307.29	8.21	-24.61
CC(C)(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094853	0	49	0.0	-33.35	392.28	11.31	-22.04
O=C([O-])C([NH2+]CC1=CC(Br)=CC(Cl)=C1F)C1=CC=CC(F)=C1	REAL300012094854	0	33	0.0	-34.77	324.85	10.14	-24.63
COC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094855	0	37	0.0	-33.09	328.04	8.82	-24.27
O=C([O-])C([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=CC=CC(F)=C1	REAL300012094856	1	36	0.0	-30.15	331.45	10.30	-19.85
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CC(F)=C1F	REAL300012094857	0	37	0.0	-36.85	322.50	8.41	-28.44
COC1=CC(C)=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094858	0	39	0.0	-32.78	325.73	7.17	-25.61
COC(=O)C1=C(C)NC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1C	REAL300012094859	0	43	0.0	-38.39	362.17	8.69	-29.70
O=C([O-])C([NH2+]CC1=C(O)C=CC(F)=C1Br)C1=CC=CC(F)=C1	REAL300012094861	0	34	0.0	-30.08	315.28	6.75	-23.33
N#CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094862	0	34	0.0	-38.38	309.07	9.46	-28.92
O=C([O-])C([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C1=CC=CC(F)=C1	REAL300012094863	0	49	0.0	-30.65	381.72	12.76	-17.89
COC1=CC=CC=C1C=CC[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094864	0	41	0.0	-33.39	339.29	9.60	-23.79
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)SC(Br)=C1	REAL300012094865	0	33	0.0	-31.96	310.90	9.39	-22.57
CC1=NN(C2CCC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094866	0	43	0.0	-33.86	347.56	9.33	-24.53
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=NN1CC(F)F	REAL300012094867	0	39	0.0	-33.45	335.70	8.40	-25.05
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C1=CC=CC(F)=C1	REAL300012094868	0	41	0.0	-36.35	349.67	9.32	-27.03
O=C([O-])C([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C1=CC=CC(F)=C1	REAL300012094871	0	46	0.0	-33.16	384.59	13.47	-19.69
CCCCC(=O)NC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094872	0	49	0.0	-35.98	399.54	10.20	-25.78
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(C)=N1	REAL300012094873	0	39	0.0	-32.49	322.60	6.26	-26.23
CCN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C(C)=C1	REAL300012094874	0	47	0.0	-29.31	364.90	10.82	-18.49
O=C([O-])C([NH2+]CC1=CC(Cl)=CN=C1Br)C1=CC=CC(F)=C1	REAL300012094875	1	32	0.0	-31.45	303.51	8.04	-23.41
O=C([O-])C([NH2+]CC1=C(Cl)C(Cl)=CS1)C1=CC=CC(F)=C1	REAL300012094876	0	30	0.0	-28.01	301.33	8.97	-19.04
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=CC=CC(F)=C1	REAL300012094877	0	37	0.0	-34.32	343.82	9.35	-24.97
O=C([O-])C([NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=CC=CC(F)=C1	REAL300012094878	0	43	0.0	-36.75	370.37	11.83	-24.92
O=C([O-])C([NH2+]CC1=CC=C2SC=CC2=C1)C1=CC=CC(F)=C1	REAL300012094879	0	36	0.0	-33.58	318.72	10.37	-23.21
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C1=CC=CC(F)=C1	REAL300012094880	0	42	0.0	-35.97	351.21	10.67	-25.30
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094881	0	55	0.0	-33.92	439.36	13.88	-20.04
CCC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=C1	REAL300012094882	0	45	0.0	-31.18	360.46	11.60	-19.58
O=C([O-])C([NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1)C1=CC=CC(F)=C1	REAL300012094884	0	38	0.0	-30.21	345.63	9.29	-20.92
O=C([O-])C([NH2+]CC1=CC2=C(CCOC2)N=C1Cl)C1=CC=CC(F)=C1	REAL300012094885	1	40	0.0	-29.16	342.75	7.65	-21.51
O=C([O-])C([NH2+]CC1=CC2=CC(Br)=CC=C2S1)C1=CC=CC(F)=C1	REAL300012094886	0	36	0.0	-33.84	340.46	11.16	-22.68
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=N1	REAL300012094888	0	38	0.0	-36.96	329.59	8.92	-28.04
O=C([O-])C([NH2+]CC1=CC(Br)=CC(F)=C1F)C1=CC=CC(F)=C1	REAL300012094889	1	33	0.0	-35.48	313.64	9.68	-25.80
O=C([O-])C([NH2+]CC1=CC(Cl)=C(Br)C=C1F)C1=CC=CC(F)=C1	REAL300012094890	0	33	0.0	-33.80	321.15	10.09	-23.71
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCCC2)C1=CC=CC(F)=C1	REAL300012094891	0	43	0.0	-29.97	337.15	11.36	-18.61
O=C([O-])C([NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C1=CC=CC(F)=C1	REAL300012094892	0	35	0.0	-39.75	329.99	10.26	-29.49
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094893	0	40	0.0	-35.72	342.29	10.91	-24.81
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=CC(Br)=C1F	REAL300012094894	0	37	0.0	-30.12	338.17	9.06	-21.06
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C1=CC=CC(F)=C1	REAL300012094895	0	36	0.0	-30.03	323.36	9.96	-20.07
O=C([O-])C([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C1=CC=CC(F)=C1	REAL300012094896	0	39	0.0	-39.53	332.25	8.86	-30.67
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)C=CC2=CC=CC=C12	REAL300012094897	0	42	0.0	-30.82	335.28	11.64	-19.18
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094898	0	51	0.0	-33.21	406.17	10.63	-22.58
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C1=CC=CC(F)=C1	REAL300012094899	0	39	0.0	-32.36	346.35	11.78	-20.58
COC1=C2C=CNC2=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(F)=C1	REAL300012094900	0	41	0.0	-29.50	342.73	8.43	-21.07
O=C([O-])C([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C1=CC=CC(F)=C1	REAL300012094901	0	46	0.0	-33.49	369.42	6.02	-27.47
CCCN1N=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1C	REAL300012094902	0	42	0.0	-34.71	343.68	8.79	-25.92
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=CN=C1N1C=CC=N1	REAL300012094903	0	42	0.0	-37.51	353.94	10.35	-27.16
COC(=O)C1=CN(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300012094904	0	40	0.0	-34.16	341.11	9.05	-25.11
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(F)=C2)=C1O	REAL300012094905	0	38	0.0	-30.70	336.86	6.61	-24.09
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C(C)=C1	REAL300012094908	0	39	0.0	-28.12	334.41	11.16	-16.96
CC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=C1	REAL300012094909	0	39	0.0	-27.89	334.41	11.16	-16.73
O=C([O-])C([NH2+]CC1CC2C=CC1C2)C1=CC=CC(I)=C1	REAL300012094910	0	38	0.0	-31.31	321.01	10.55	-20.76
O=C([O-])C([NH2+]CC1CCCCC1)C1=CC=CC(I)=C1	REAL300012094911	0	39	0.0	-30.78	324.20	10.35	-20.43
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=C1C	REAL300012094912	0	39	0.0	-28.07	330.69	11.05	-17.02
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=C1C	REAL300012094913	0	39	0.0	-30.41	341.58	11.24	-19.17
N#CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=C1	REAL300012094914	0	34	0.0	-38.80	324.03	10.42	-28.38
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=C1F	REAL300012094916	0	36	0.0	-34.20	329.89	10.74	-23.46
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)N=C1	REAL300012094918	0	35	0.0	-27.58	319.58	8.85	-18.73
CC1CCC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)CC1	REAL300012094919	0	42	0.0	-31.49	336.68	10.72	-20.77
CC1CCCCC1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094920	0	42	0.0	-31.51	341.16	10.82	-20.69
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=CC=C1F	REAL300012094921	0	36	0.0	-32.47	328.56	10.70	-21.77
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=N1	REAL300012094922	0	36	0.0	-34.20	328.28	6.67	-27.53
CC1=CC=C(F)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=C1	REAL300012094923	0	36	0.0	-26.51	327.79	10.71	-15.80
CC1=CC=C(F)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094924	0	36	0.0	-28.59	319.40	10.56	-18.03
CC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094925	0	35	0.0	-31.55	308.12	8.68	-22.87
O=C([O-])C([NH2+]CC1CCCCCC1)C1=CC=CC(I)=C1	REAL300012094926	0	42	0.0	-29.91	333.63	10.72	-19.19
COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=N1	REAL300012094927	0	36	0.0	-35.28	330.35	6.69	-28.59
CC(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=N1	REAL300012094928	0	39	0.0	-34.51	346.19	9.23	-25.28
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=C(C)O1	REAL300012094929	0	36	0.0	-31.13	323.08	9.59	-21.54
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=C1	REAL300012094930	0	37	0.0	-31.49	330.74	9.27	-22.22
O=C([O-])C([NH2+]CC1=CC=CC=C1)C1=CC=CC(I)=C1	REAL300012094932	0	33	0.0	-30.51	303.18	10.03	-20.48
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=CC(C)=C1	REAL300012094933	0	39	0.0	-30.09	345.99	11.36	-18.73
O=C([O-])C([NH2+]CC1=CC=CS1)C1=CC=CC(I)=C1	REAL300012094935	0	30	0.0	-28.26	292.08	9.11	-19.15
O=C([O-])C([NH2+]CC1=CC=C(F)C=C1)C1=CC=CC(I)=C1	REAL300012094936	0	33	0.0	-32.88	309.57	10.10	-22.78
O=C([O-])C([NH2+]CC1CC=CCC1)C1=CC=CC(I)=C1	REAL300012094937	0	37	0.0	-31.48	316.57	10.26	-21.22
COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=C1	REAL300012094938	0	37	0.0	-33.23	332.67	9.33	-23.90
O=C([O-])C([NH2+]CC1=CC=CC=C1F)C1=CC=CC(I)=C1	REAL300012094939	0	33	0.0	-32.38	305.80	10.02	-22.36
O=C([O-])C([NH2+]CC1=CC=CC(F)=C1)C1=CC=CC(I)=C1	REAL300012094940	0	33	0.0	-34.15	309.58	10.10	-24.05
COC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094941	0	37	0.0	-31.14	331.28	9.40	-21.74
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)SC=C1	REAL300012094942	0	33	0.0	-27.27	310.70	9.68	-17.59
CC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094943	0	36	0.0	-28.63	314.66	10.54	-18.09
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=C1	REAL300012094944	0	36	0.0	-30.39	324.57	10.71	-19.68
N#CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=C1	REAL300012094945	0	34	0.0	-36.45	322.09	10.37	-26.08
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=C1	REAL300012094946	0	36	0.0	-30.43	324.57	10.70	-19.73
O=C([O-])C([NH2+]CC1=CSC=C1)C1=CC=CC(I)=C1	REAL300012094947	0	30	0.0	-29.90	291.83	8.95	-20.95
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=C1	REAL300012094948	0	39	0.0	-29.80	344.13	11.42	-18.38
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)S1	REAL300012094949	0	33	0.0	-30.38	313.35	9.88	-20.50
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094950	0	39	0.0	-31.04	345.15	9.11	-21.93
O=C([O-])C([NH2+]CC1=CC=CN=C1)C1=CC=CC(I)=C1	REAL300012094951	0	32	0.0	-31.85	298.01	8.25	-23.60
O=C([O-])C([NH2+]CC1=CC=NC=C1)C1=CC=CC(I)=C1	REAL300012094953	0	32	0.0	-33.32	298.07	8.27	-25.05
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=N1	REAL300012094956	0	33	0.0	-32.55	305.99	7.84	-24.71
CC(C)(C)C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094959	0	35	0.0	-29.28	297.09	9.06	-20.22
O=C([O-])C([NH2+]CC1=CN=CN=C1)C1=CC=CC(I)=C1	REAL300012094960	0	31	0.0	-34.41	292.80	8.04	-26.37
O=C([O-])C([NH2+]CC1=NNC=C1)C1=CC=CC(I)=C1	REAL300012094961	1	30	0.0	-29.40	281.78	6.41	-22.99
CN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094963	0	33	0.0	-31.24	303.31	9.18	-22.06
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=C1F	REAL300012094965	0	36	0.0	-27.12	329.05	10.70	-16.42
CC1=NNC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094966	0	33	0.0	-31.85	302.66	7.10	-24.75
CN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094967	0	33	0.0	-31.72	303.78	7.61	-24.11
CC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094968	0	36	0.0	-34.21	325.61	8.41	-25.80
CCN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=N1	REAL300012094969	0	36	0.0	-31.96	326.20	8.67	-23.29
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)N=N1	REAL300012094970	1	32	0.0	-40.46	298.05	6.48	-33.98
CN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=N1	REAL300012094971	1	33	0.0	-29.36	304.73	7.72	-21.64
CCN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094974	0	36	0.0	-29.57	318.73	8.48	-21.09
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=CS1	REAL300012094976	0	33	0.0	-29.14	308.46	9.69	-19.45
N#CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=N1	REAL300012094977	0	33	0.0	-42.52	317.80	8.47	-34.05
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=CS1	REAL300012094978	0	33	0.0	-29.91	315.03	9.78	-20.13
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)N=N1	REAL300012094979	0	34	0.0	-38.90	312.77	7.69	-31.21
CN1N=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094980	0	32	0.0	-34.48	297.91	6.41	-28.07
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)N(C)N=C1	REAL300012094981	0	36	0.0	-32.06	324.10	8.22	-23.84
C=CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=N1	REAL300012094982	0	34	0.0	-36.08	316.46	9.01	-27.07
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=NN1C	REAL300012094983	0	36	0.0	-30.71	320.56	8.23	-22.48
N#CC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=C1	REAL300012094984	0	31	0.0	-36.81	314.45	9.55	-27.26
CC1=NN(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=C1	REAL300012094986	0	36	0.0	-33.40	325.74	8.19	-25.21
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=C1	REAL300012094987	0	39	0.0	-29.74	344.73	11.43	-18.31
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CC=CC(I)=C1	REAL300012094988	0	37	0.0	-32.03	328.33	8.60	-23.43
CCCN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094989	0	39	0.0	-30.39	341.07	9.28	-21.11
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C(F)=C1	REAL300012094990	0	36	0.0	-32.93	328.84	10.71	-22.22
O=C([O-])C([NH2+]CC1CC2CCC1C2)C1=CC=CC(I)=C1	REAL300012094994	0	40	0.0	-32.17	327.83	10.68	-21.49
O=C([O-])C([NH2+]CC1=CC=C(F)N=C1)C1=CC=CC(I)=C1	REAL300012094995	0	32	0.0	-34.76	304.44	8.19	-26.57
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)NN=C1	REAL300012094996	0	33	0.0	-31.65	300.30	7.01	-24.64
CC1=CNN=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094996	1	33	0.0	-32.97	302.05	7.00	-25.97
CC1=CN=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012094998	0	35	0.0	-31.64	313.32	8.87	-22.77
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)N1C	REAL300012095000	0	36	0.0	-31.12	324.11	9.02	-22.10
CC1=NC=CN=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012095001	0	34	0.0	-33.81	308.83	6.81	-27.00
O=C([O-])C([NH2+]CC1=CC=NC(F)=C1)C1=CC=CC(I)=C1	REAL300012095002	0	32	0.0	-37.84	304.47	8.21	-29.63
O=C([O-])C([NH2+]CC1=CN(C2CC2)C=N1)C1=CC=CC(I)=C1	REAL300012095003	1	37	0.0	-28.04	333.23	10.65	-17.39
CCN1C=NC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=C1	REAL300012095009	1	36	0.0	-28.54	325.74	10.17	-18.37
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012095010	0	39	0.0	-28.34	333.60	11.21	-17.13
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=C1	REAL300012095011	0	36	0.0	-30.71	330.99	10.77	-19.94
CCN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C(C)=N1	REAL300012095013	0	39	0.0	-33.60	345.17	9.23	-24.37
O=C([O-])C([NH2+]CC1=CSN=C1)C1=CC=CC(I)=C1	REAL300012095014	0	29	0.0	-33.92	286.36	7.64	-26.28
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=CC(C)=N1	REAL300012095015	0	38	0.0	-33.12	341.28	9.49	-23.63
CCN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=N1	REAL300012095016	1	36	0.0	-29.15	326.27	8.57	-20.58
CCCN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)=N1	REAL300012095018	1	39	0.0	-28.80	347.76	9.34	-19.46
CCCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012095021	0	39	0.0	-28.80	339.52	10.86	-17.94
O=C([O-])C([NH2+]CC1=CC=CNC1=O)C1=CC=CC(I)=C1	REAL300012095022	0	33	0.0	-31.68	305.48	6.92	-24.76
O=C([O-])C([NH2+]CC1=CC(C2CC2)=NN1)C1=CC=CC(I)=C1	REAL300012095023	0	37	0.0	-32.94	334.76	8.49	-24.45
O=C([O-])C([NH2+]CC=CC1=CC=CC=C1)C1=CC=CC(I)=C1	REAL300012095024	0	37	0.0	-32.37	334.21	11.32	-21.05
O=C([O-])C([NH2+]CC1=CN=NN1C1CC1)C1=CC=CC(I)=C1	REAL300012095025	0	36	0.0	-33.10	329.67	8.06	-25.04
O=C([O-])C([NH2+]CC=CC1=CC=NC=C1)C1=CC=CC(I)=C1	REAL300012095026	0	36	0.0	-36.78	329.25	9.56	-27.22
C=CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=C1	REAL300012095027	0	37	0.0	-30.94	334.28	11.12	-19.82
CC1=NSC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012095029	0	32	0.0	-32.16	301.69	8.19	-23.97
CC1=C(F)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(I)=C1	REAL300012095030	0	36	0.0	-31.57	318.29	10.52	-21.05
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=NS1	REAL300012095032	0	32	0.0	-30.93	304.62	8.42	-22.51
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=NO1	REAL300012095033	0	32	0.0	-34.75	298.39	8.28	-26.47
O=C([O-])C([NH2+]CC1=CC=C(CF)C=C1)C1=CC=CC(I)=C1	REAL300012095034	0	36	0.0	-32.74	331.14	10.85	-21.89
C=CCN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(I)=C2)C=N1	REAL300012095035	0	37	0.0	-32.34	340.32	9.26	-23.08
CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300012095036	1	39	0.0	-64.04	328.08	10.16	-53.88
CC1=CC=C(C)C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095037	1	39	0.0	-64.02	328.08	10.15	-53.87
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=CC=CN=C3C=C2)C(F)=C1	REAL300012095038	1	38	0.0	-74.22	332.95	9.23	-64.99
CC(C)(C)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095039	1	45	0.0	-64.91	368.03	11.18	-53.73
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CNN=C2C2=CC=CC=C2)C(F)=C1	REAL300012095040	1	40	0.0	-69.68	347.86	8.73	-60.95
N#CCCN1C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C2=CC=CC=C2)=N1	REAL300012095043	1	47	0.0	-75.36	413.52	11.39	-63.97
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1OC(F)F	REAL300012095044	1	41	0.0	-73.86	360.34	8.34	-65.52
CCOC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1OC	REAL300012095045	1	44	0.0	-72.19	372.43	8.98	-63.21
CCCCCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095047	1	49	0.0	-67.93	407.69	11.45	-56.48
CC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1C	REAL300012095050	1	39	0.0	-64.07	323.67	10.02	-54.05
CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1C	REAL300012095051	1	39	0.0	-64.98	330.25	10.07	-54.91
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1Br	REAL300012095052	1	37	0.0	-71.55	341.75	8.82	-62.73
CCCCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OC	REAL300012095054	1	50	0.0	-71.94	415.44	10.56	-61.38
CCCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OC	REAL300012095055	1	47	0.0	-71.99	393.93	9.78	-62.21
C=CCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OC	REAL300012095056	1	45	0.0	-72.43	385.34	9.56	-62.87
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)S2)C(F)=C1	REAL300012095059	1	40	0.0	-68.08	376.40	12.16	-55.92
CCC1=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C2=CC=CC=C2O1	REAL300012095061	1	42	0.0	-69.01	361.60	10.77	-58.24
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(SC(F)(F)F)C=C2)C(F)=C1	REAL300012095065	1	37	0.0	-71.20	348.23	10.33	-60.87
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2)C(F)=C1	REAL300012095068	1	37	0.0	-71.29	337.83	8.66	-62.63
N#CC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095069	1	34	0.0	-75.64	312.69	9.24	-66.40
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CNN=C2C2=CC=C(F)C=C2)C(F)=C1	REAL300012095070	1	40	0.0	-72.94	354.49	8.81	-64.13
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095071	1	43	0.0	-69.54	369.69	9.41	-60.13
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CNN=C2C2=CC=CS2)C(F)=C1	REAL300012095072	1	37	0.0	-65.57	335.53	7.99	-57.58
COC1=CC=C(C2=NNC=C2C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095073	1	44	0.0	-72.37	377.55	8.04	-64.33
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CSC3=CC=CC=C23)C(F)=C1	REAL300012095074	1	36	0.0	-68.58	328.73	10.24	-58.34
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=CC=CC=C3OC2)C(F)=C1	REAL300012095076	1	39	0.0	-70.21	337.88	9.35	-60.86
CC1=CC=C(C2=NNC=C2C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)O1	REAL300012095078	1	40	0.0	-66.34	351.92	7.95	-58.39
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CNN=C2C2=CC=CN=C2)C(F)=C1	REAL300012095079	1	39	0.0	-69.38	342.96	6.95	-62.43
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OCC3CCCO3)C=C2)C(F)=C1	REAL300012095080	1	48	0.0	-70.87	400.15	9.47	-61.40
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(Cl)S2)C(F)=C1	REAL300012095081	1	30	0.0	-68.18	299.10	8.59	-59.59
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)S2)C(F)=C1	REAL300012095082	1	40	0.0	-68.62	366.08	11.71	-56.91
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC3=CC=CN=C32)C(F)=C1	REAL300012095083	1	38	0.0	-61.32	331.68	9.38	-51.94
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)C(F)=C1	REAL300012095086	1	40	0.0	-74.61	350.19	10.07	-64.54
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(N3C=NC=N3)C=C2)C(F)=C1	REAL300012095087	1	39	0.0	-77.47	345.12	11.39	-66.08
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)S2)C(F)=C1	REAL300012095089	1	40	0.0	-67.07	376.61	12.16	-54.91
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3F)S2)C(F)=C1	REAL300012095090	1	40	0.0	-68.02	369.05	11.82	-56.20
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(F)C(Cl)=C2)C(F)=C1	REAL300012095094	1	33	0.0	-74.56	314.43	9.42	-65.14
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)C(F)=C1	REAL300012095095	1	36	0.0	-77.63	336.15	9.91	-67.72
CCOC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095096	1	40	0.0	-66.67	343.19	9.09	-57.58
CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1F	REAL300012095097	1	36	0.0	-69.64	318.55	9.57	-60.07
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(F)C=C2C(F)(F)F)C(F)=C1	REAL300012095099	1	36	0.0	-68.52	326.78	10.01	-58.51
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)C(F)=C1	REAL300012095101	1	36	0.0	-74.81	336.97	9.92	-64.89
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=CC=CC=C3S2)C(F)=C1	REAL300012095104	0	36	0.0	-67.26	329.22	10.41	-56.85
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(Cl)C(F)=C2)C(F)=C1	REAL300012095105	1	33	0.0	-74.59	314.43	9.43	-65.16
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C(F)=C1	REAL300012095107	1	40	0.0	-68.04	376.41	12.15	-55.89
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)C(F)=C1	REAL300012095108	1	43	0.0	-76.65	374.33	7.39	-69.26
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C(F)=C1	REAL300012095110	1	46	0.0	-71.83	397.98	10.38	-61.45
COCCOC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095113	1	44	0.0	-68.00	376.82	8.36	-59.64
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300012095114	1	37	0.0	-71.71	337.37	8.71	-63.00
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C(F)=C1	REAL300012095118	1	40	0.0	-69.38	362.77	9.55	-59.83
CCCOC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095122	1	43	0.0	-66.57	364.69	9.89	-56.68
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C(F)=C1	REAL300012095123	1	40	0.0	-67.31	357.88	11.44	-55.87
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(OC3CCCC3)=C2)C(F)=C1	REAL300012095124	1	47	0.0	-66.24	385.93	11.06	-55.18
CC(C)OC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095125	1	43	0.0	-68.45	361.11	9.71	-58.74
CN1C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C2=CC3=CC=CC=C3O2)=N1	REAL300012095126	1	46	0.0	-66.50	400.67	10.88	-55.62
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C(F)=C1	REAL300012095132	1	40	0.0	-68.92	366.09	11.71	-57.21
CC1=CC=C(C2=CC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)S2)C=C1	REAL300012095135	1	43	0.0	-66.87	381.08	12.32	-54.55
CCOC1=C(OC)C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OC	REAL300012095140	1	48	0.0	-76.40	405.59	8.92	-67.48
COCCCOC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095141	1	47	0.0	-68.24	398.37	8.96	-59.28
CC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CN=C1Cl	REAL300012095142	1	35	0.0	-75.09	322.33	8.09	-67.00
CC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1OC1=CC=CN=C1	REAL300012095145	1	46	0.0	-71.36	397.13	10.73	-60.63
CC1=CC=C(C2=NC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)S2)C=C1	REAL300012095146	1	42	0.0	-69.09	378.26	10.56	-58.53
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C(F)=C1	REAL300012095147	1	38	0.0	-62.37	348.30	9.91	-52.46
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)C(F)=C1	REAL300012095148	1	38	0.0	-65.58	337.30	9.42	-56.16
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)C(F)=C1	REAL300012095149	1	38	0.0	-63.49	338.00	9.47	-54.02
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C(F)=C1	REAL300012095150	1	38	0.0	-64.88	346.17	9.80	-55.08
O=C([O-])C1=CC(F)=C(C[NH2+]CC=CC2=CC=C(Cl)C=C2)C(F)=C1	REAL300012095156	1	37	0.0	-69.61	339.60	10.68	-58.93
CC1=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C2=CC=CC=C2O1	REAL300012095157	1	39	0.0	-69.19	340.12	10.00	-59.19
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=COC3=CC=CC=C23)C(F)=C1	REAL300012095158	1	36	0.0	-69.60	319.76	9.24	-60.36
CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1Br	REAL300012095160	1	36	0.0	-68.38	331.33	10.05	-58.33
O=C([O-])C1=CC(F)=C(C[NH2+]CC=CC2=CC=C(F)C=C2F)C(F)=C1	REAL300012095161	1	37	0.0	-70.81	334.80	10.26	-60.55
CC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1Br	REAL300012095162	1	36	0.0	-69.93	331.32	10.05	-59.88
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=C(F)C=CC=C3N2)C(F)=C1	REAL300012095166	1	37	0.0	-73.40	330.23	8.88	-64.52
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=CC=C(F)C=C3N2)C(F)=C1	REAL300012095167	1	37	0.0	-74.08	330.13	8.87	-65.21
CC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC2=CC=CN=C12	REAL300012095169	1	41	0.0	-73.62	353.07	10.06	-63.56
CC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1Cl	REAL300012095170	1	36	0.0	-69.89	327.29	9.97	-59.92
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CN=C3C=CSC3=C2)C(F)=C1	REAL300012095171	1	35	0.0	-73.65	323.70	8.34	-65.31
CCCC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095175	1	42	0.0	-65.30	356.22	11.07	-54.23
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095176	1	51	0.0	-69.52	426.68	13.63	-55.89
CCN(CC)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1F	REAL300012095177	1	47	0.0	-71.33	392.30	10.03	-61.30
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C(SC)C=C1OC	REAL300012095178	1	45	0.0	-65.76	386.19	9.00	-56.76
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1C#N	REAL300012095181	1	38	0.0	-79.85	341.55	8.57	-71.28
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(SC(F)F)C=C2)C(F)=C1	REAL300012095182	1	37	0.0	-70.18	341.65	10.13	-60.05
CC1=CC(Cl)=CC(C)=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095183	1	39	0.0	-68.31	342.57	10.39	-57.92
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)C(F)=C1	REAL300012095184	1	37	0.0	-74.84	337.32	8.51	-66.33
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095186	1	39	0.0	-71.34	345.40	10.49	-60.85
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC(Cl)=C1OC	REAL300012095187	1	41	0.0	-75.27	370.54	8.70	-66.57
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OCC(C)C	REAL300012095188	1	50	0.0	-71.72	414.04	10.46	-61.26
CCCOC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1OC	REAL300012095189	1	47	0.0	-72.01	393.94	9.78	-62.23
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(Br)S2)C(F)=C1	REAL300012095190	1	30	0.0	-68.24	303.73	8.69	-59.55
CCOC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC(Cl)=C1OC	REAL300012095191	1	44	0.0	-75.21	392.40	9.62	-65.59
C=CCOC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095192	1	41	0.0	-66.91	356.10	9.67	-57.24
CCOC1=C(Cl)C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OC	REAL300012095194	1	44	0.0	-75.00	392.40	9.65	-65.35
CCCCOC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1OC	REAL300012095196	1	50	0.0	-72.04	415.43	10.56	-61.48
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OC(F)F	REAL300012095197	1	41	0.0	-70.07	360.34	8.35	-61.72
CCOC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1OC(F)F	REAL300012095198	1	44	0.0	-73.77	382.19	9.26	-64.51
CC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC(C)=C1OC(F)F	REAL300012095199	1	43	0.0	-70.47	369.15	9.84	-60.63
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC2=C1OCCO2	REAL300012095201	1	43	0.0	-74.23	365.53	7.89	-66.34
CC1=CC(C)=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1C	REAL300012095204	1	42	0.0	-64.33	346.35	10.63	-53.70
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)S2)C(F)=C1	REAL300012095205	1	40	0.0	-66.98	359.68	11.64	-55.34
CCCOC1=C(Cl)C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OC	REAL300012095206	1	47	0.0	-74.88	413.89	10.45	-64.43
CC(C)(C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F)C1=CC=CC=C1	REAL300012095208	0	42	0.0	-64.87	339.91	10.58	-54.29
CC(CCC1=CC=CC=C1)C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095210	0	45	0.0	-64.65	370.86	11.75	-52.90
CCC1CCCC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C1	REAL300012095211	0	45	0.0	-63.78	351.91	10.46	-53.32
CCCC1CCC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)CC1	REAL300012095215	0	48	0.0	-63.55	373.41	11.22	-52.33
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)C=C2)C(F)=C1	REAL300012095216	1	40	0.0	-72.08	364.81	9.26	-62.82
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(N3C=CN=C3)C=C2)C(F)=C1	REAL300012095217	1	40	0.0	-75.78	347.79	11.25	-64.53
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC(Cl)=C3OCCOC3=C2)C(F)=C1	REAL300012095219	1	39	0.0	-72.98	352.30	8.55	-64.43
CCCCC1=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C2=CC=CC=C2O1	REAL300012095220	1	48	0.0	-69.39	404.59	12.33	-57.06
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C(F)=C1	REAL300012095221	1	46	0.0	-78.26	398.74	13.53	-64.73
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095222	1	46	0.0	-72.35	395.65	11.04	-61.31
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC(Cl)=C3OCCCOC3=C2)C(F)=C1	REAL300012095223	1	42	0.0	-74.44	370.72	9.34	-65.10
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1F	REAL300012095225	1	37	0.0	-73.75	327.56	8.24	-65.51
O=C([O-])C1=CC(F)=C(C[NH2+]CC2CCC(C(F)(F)F)CC2)C(F)=C1	REAL300012095226	0	42	0.0	-66.91	343.22	9.89	-57.02
CC(C)C1CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)CCO1	REAL300012095227	0	46	0.0	-66.77	362.95	8.92	-57.85
CC1(C)CCC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)CC1	REAL300012095228	0	45	0.0	-64.27	346.81	10.09	-54.18
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)C(F)=C1	REAL300012095229	1	40	0.0	-77.78	368.99	9.63	-68.15
CCSC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095232	1	40	0.0	-66.77	353.52	10.72	-56.05
COC1(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)CCCCC1	REAL300012095234	0	43	0.0	-63.37	335.10	8.24	-55.13
COCCC1(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)CCCCC1	REAL300012095236	0	49	0.0	-63.96	370.54	9.08	-54.88
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC(Br)=C(Cl)S2)C(F)=C1	REAL300012095237	1	30	0.0	-70.80	319.56	9.16	-61.64
CCCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095238	1	43	0.0	-68.11	364.69	9.89	-58.22
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1OC(C)C	REAL300012095241	1	47	0.0	-71.93	390.38	9.60	-62.33
CCCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OCC	REAL300012095242	1	50	0.0	-71.93	415.79	10.70	-61.23
CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1[N+](=O)[O-]	REAL300012095243	1	38	0.0	-78.81	336.02	10.05	-68.76
CC(C)OC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095244	1	43	0.0	-68.04	361.11	9.71	-58.33
CCCCCCCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095245	1	55	0.0	-67.79	450.68	13.01	-54.78
CC(C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F)CC1=CC=C(C(C)(C)C)C=C1	REAL300012095246	0	54	0.0	-65.61	424.80	13.24	-52.37
CC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300012095247	1	36	0.0	-71.25	318.55	9.56	-61.69
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=C3NC=CC3=CC=C2)C(F)=C1	REAL300012095248	1	37	0.0	-67.97	323.20	8.86	-59.11
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC=C2N2CCOCC2)C(F)=C1	REAL300012095250	1	46	0.0	-63.47	376.40	8.43	-55.04
CC(C)CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095252	1	45	0.0	-64.85	373.03	11.55	-53.30
CC1=CC=C(C2=CC=CC(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)=C2)C=C1	REAL300012095253	1	46	0.0	-68.71	387.45	12.94	-55.77
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(F)=C1	REAL300012095256	1	33	0.0	-71.31	325.31	9.87	-61.44
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC(F)=CC(Cl)=C2)C(F)=C1	REAL300012095257	1	33	0.0	-72.33	314.98	9.44	-62.89
CC1=CC=CC(C)=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095258	1	39	0.0	-63.78	325.01	9.94	-53.84
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095260	1	46	0.0	-67.56	387.94	12.94	-54.62
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(OC(F)F)=C2)C(F)=C1	REAL300012095261	1	37	0.0	-70.93	331.09	8.44	-62.49
CCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OCC	REAL300012095262	1	47	0.0	-72.07	394.29	9.90	-62.17
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(F)=C1	REAL300012095264	1	36	0.0	-76.38	343.73	10.27	-66.11
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(F)=C1	REAL300012095266	1	37	0.0	-70.96	337.83	8.66	-62.30
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095268	1	47	0.0	-68.73	400.05	11.93	-56.80
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C2=CC=CC=C12	REAL300012095271	0	43	0.0	-69.83	361.16	10.35	-59.48
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C3OCCC3=C2)C(F)=C1	REAL300012095276	1	38	0.0	-70.21	327.72	8.69	-61.52
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CSC(Br)=C2)C(F)=C1	REAL300012095277	1	30	0.0	-69.06	303.50	8.54	-60.52
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(C3=CC=CC=C3)=C2)C(F)=C1	REAL300012095278	1	43	0.0	-68.69	366.05	12.27	-56.42
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)C(F)=C1	REAL300012095280	1	44	0.0	-70.77	365.76	8.77	-62.00
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=C3C=CNC3=CC=C2)C(F)=C1	REAL300012095281	1	37	0.0	-64.47	323.02	8.88	-55.59
CC1=CC(F)=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095282	1	36	0.0	-69.63	313.07	9.56	-60.07
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(Br)C(F)=C2)C(F)=C1	REAL300012095283	1	33	0.0	-74.71	318.84	9.53	-65.18
CC1=NC(C)=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)S1	REAL300012095284	1	35	0.0	-67.22	317.70	7.33	-59.89
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)C(F)=C1	REAL300012095285	1	42	0.0	-67.33	363.56	10.74	-56.59
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(F)=C1	REAL300012095286	1	42	0.0	-70.54	361.06	10.50	-60.04
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(F)=C1	REAL300012095287	1	42	0.0	-72.30	361.25	10.52	-61.78
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095288	1	48	0.0	-68.04	385.83	9.41	-58.63
C[NH+]1CCN(C2=CC=C(CNCC3=C(F)C=C(C(=O)[O-])C=C3F)C=C2)CC1	REAL300012095289	0	50	0.0	-67.20	400.80	8.59	-58.61
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(F)=C1	REAL300012095290	1	42	0.0	-73.65	373.25	7.36	-66.29
CNC(=O)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095291	1	40	0.0	-77.74	348.30	7.14	-70.60
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C(F)=C1	REAL300012095294	1	40	0.0	-71.65	362.76	9.55	-62.10
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=CC=CC=C3C=C2)C(F)=C1	REAL300012095295	1	39	0.0	-68.65	337.95	11.12	-57.53
CC(C)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1[N+](=O)[O-]	REAL300012095297	1	44	0.0	-79.09	376.91	11.36	-67.73
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095298	1	49	0.0	-69.79	410.65	11.33	-58.46
CCOC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1OCC(C)C	REAL300012095299	1	53	0.0	-71.55	435.89	11.38	-60.17
COC1=CC(OC)=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095302	1	41	0.0	-67.97	350.84	7.47	-60.50
COC1=CC2=CC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C=C2C=C1	REAL300012095303	1	43	0.0	-71.78	367.29	10.41	-61.37
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC(Br)=CS2)C(F)=C1	REAL300012095305	1	30	0.0	-67.00	303.53	8.59	-58.41
CCCCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OCC	REAL300012095306	1	53	0.0	-71.89	437.29	11.48	-60.41
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095307	1	46	0.0	-71.38	389.23	10.97	-60.41
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=CC=CC=C3NC2=O)C(F)=C1	REAL300012095310	1	39	0.0	-67.65	342.20	7.91	-59.74
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(F)C(Br)=C2)C(F)=C1	REAL300012095312	1	33	0.0	-74.43	318.84	9.52	-64.91
CC1=CC=C(COC2=CC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C=C2)C=C1	REAL300012095313	1	50	0.0	-69.52	424.51	12.83	-56.69
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(N3CCCCC3)C=C2)C(F)=C1	REAL300012095314	1	48	0.0	-65.94	384.77	10.15	-55.79
CCCCCCOC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095315	1	52	0.0	-66.30	429.19	12.23	-54.07
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1SC	REAL300012095316	1	41	0.0	-72.32	360.75	9.21	-63.11
N#CCCCOC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095317	1	44	0.0	-73.37	385.54	10.41	-62.96
CCCCCOC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1OC	REAL300012095318	1	53	0.0	-72.06	436.93	11.34	-60.72
CCC(C)OC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1OC	REAL300012095319	1	50	0.0	-71.82	411.12	10.39	-61.43
CCCCCCCOC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095320	1	55	0.0	-66.21	450.69	13.01	-53.20
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OCCCC#N	REAL300012095321	1	48	0.0	-82.44	414.79	10.30	-72.14
C=C(C)COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1OC	REAL300012095322	1	48	0.0	-72.96	404.75	10.34	-62.62
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OCCC(C)C	REAL300012095323	1	53	0.0	-72.04	433.00	11.08	-60.96
C=CCC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC(OC)=C1O	REAL300012095324	1	45	0.0	-72.49	386.71	8.01	-64.48
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(N3CCOCC3)C(F)=C2)C(F)=C1	REAL300012095330	1	46	0.0	-72.34	379.03	7.68	-64.66
CN1C=NC2=CC(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)=CC=C21	REAL300012095331	1	39	0.0	-71.69	340.22	10.21	-61.48
CCN1N=C(C)C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1C	REAL300012095332	1	42	0.0	-68.60	355.54	8.51	-60.09
C=CCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300012095333	1	41	0.0	-71.91	372.12	10.22	-61.69
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C(F)=C1	REAL300012095334	1	39	0.0	-69.16	356.86	9.88	-59.28
CC1(C)CC2=CC(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)=CC=C2O1	REAL300012095336	1	44	0.0	-69.92	369.25	10.11	-59.81
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095339	1	43	0.0	-69.60	369.42	9.40	-60.20
CC1=CC=C(F)C=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095341	1	36	0.0	-67.74	313.07	9.56	-58.18
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC(Cl)=CC(C(F)(F)F)=C2)C(F)=C1	REAL300012095342	1	36	0.0	-73.85	347.29	10.35	-63.50
CC(C)COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095345	1	46	0.0	-67.81	384.79	10.58	-57.23
COCCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095346	1	44	0.0	-70.34	376.81	8.36	-61.98
CC1(C)CCCC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C1	REAL300012095347	0	45	0.0	-64.09	346.82	10.09	-54.00
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C(F)=C1	REAL300012095348	1	37	0.0	-73.12	347.12	8.98	-64.14
CC1=CCCC(C)C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095350	0	43	0.0	-61.63	335.74	10.24	-51.39
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CN=CC3=CC=CC=C32)C(F)=C1	REAL300012095352	1	38	0.0	-68.53	328.26	9.23	-59.30
CC(C)COC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095353	1	46	0.0	-66.33	384.80	10.58	-55.75
CC1=CC(Cl)=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095354	1	36	0.0	-68.46	323.39	10.00	-58.46
O=C([O-])C1=CC(F)=C(C[NH2+]CC=CC2=CC=C(F)C=C2)C(F)=C1	REAL300012095355	0	37	0.0	-70.51	329.28	10.23	-60.28
CN1N=NC2=CC(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)=CC=C21	REAL300012095358	1	38	0.0	-78.79	335.82	7.31	-71.48
CN1C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C2=CC=CC=C2)=N1	REAL300012095362	1	43	0.0	-69.34	371.15	10.04	-59.30
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C(F)=C1	REAL300012095363	1	40	0.0	-69.65	350.25	10.06	-59.59
CC1=C(Br)SC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095365	1	33	0.0	-68.24	323.34	9.30	-58.94
CC1=NC2=CC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C=C2C=C1	REAL300012095366	1	41	0.0	-74.38	354.54	9.84	-64.54
COC1=CC=C(OC2=CC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C=C2)C=C1	REAL300012095367	1	48	0.0	-73.45	410.02	11.00	-62.45
CC1=CC(C2=CC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C=C2)=CC(C)=C1	REAL300012095369	1	49	0.0	-68.74	408.86	13.60	-55.14
CC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1N1C=NC=N1	REAL300012095370	1	42	0.0	-76.69	360.77	12.31	-64.38
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OCC(F)F)C=C2)C(F)=C1	REAL300012095372	1	40	0.0	-73.10	356.20	9.41	-63.69
COCC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095373	1	40	0.0	-67.13	346.90	8.58	-58.55
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C(F)=C1	REAL300012095376	1	44	0.0	-72.03	392.43	12.96	-59.07
COC1=CC(C)=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OC	REAL300012095378	1	44	0.0	-70.62	365.36	8.68	-61.94
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CNN=C2C2=CSC=C2)C(F)=C1	REAL300012095381	1	37	0.0	-69.77	338.68	7.71	-62.06
CC(C)(C)C1CCC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)CC1	REAL300012095384	0	51	0.0	-63.72	374.62	10.96	-52.76
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OCC3CC3)C=C2)C(F)=C1	REAL300012095388	1	44	0.0	-68.41	374.86	10.67	-57.74
CC(C)CC1=NC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)S1	REAL300012095390	1	41	0.0	-66.89	359.68	9.04	-57.85
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CN=C(C3=CC=CS3)S2)C(F)=C1	REAL300012095391	1	36	0.0	-69.25	348.73	8.96	-60.29
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CN=C(C3=CSC=C3)S2)C(F)=C1	REAL300012095392	1	36	0.0	-69.01	348.00	8.83	-60.18
CC1=CC=C(C2=NC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)S2)O1	REAL300012095393	1	39	0.0	-71.28	361.55	8.79	-62.49
CC1=CC(Br)=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095394	1	36	0.0	-68.61	327.96	10.11	-58.50
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(Cl)C(Br)=C2)C(F)=C1	REAL300012095395	1	33	0.0	-73.21	327.96	9.93	-63.28
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CNN=C2C2=CC=CC=C2F)C(F)=C1	REAL300012095396	1	40	0.0	-73.46	354.68	8.81	-64.65
CN1C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C2=CC=CS2)=N1	REAL300012095403	1	40	0.0	-65.25	358.54	9.30	-55.95
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095406	1	37	0.0	-68.41	321.33	8.16	-60.25
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C3OCCOC3=C2)C(F)=C1	REAL300012095409	1	39	0.0	-70.60	336.34	8.02	-62.58
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(Br)=C2)C(F)=C1	REAL300012095410	1	33	0.0	-68.67	313.13	9.48	-59.19
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(Cl)=C2)C(F)=C1	REAL300012095411	1	33	0.0	-68.63	308.56	9.37	-59.26
CC1=CC(C)=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095415	1	39	0.0	-65.26	334.65	10.18	-55.08
CC(=O)NC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095416	1	40	0.0	-72.21	348.21	7.76	-64.45
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C([N+](=O)[O-])C=C2)C(F)=C1	REAL300012095419	1	35	0.0	-82.39	320.05	9.53	-72.86
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC3=CC=CC=C32)C(F)=C1	REAL300012095420	0	39	0.0	-67.04	332.83	11.00	-56.04
CN(C)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095421	1	41	0.0	-65.04	344.35	9.29	-55.75
CCN(CC)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095422	1	47	0.0	-64.05	386.96	11.17	-52.88
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(Br)C=C2)C(F)=C1	REAL300012095423	1	33	0.0	-70.14	313.13	9.49	-60.65
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(Cl)C=C2)C(F)=C1	REAL300012095424	1	33	0.0	-69.94	308.56	9.38	-60.56
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC(OC)=C1OC	REAL300012095425	1	45	0.0	-76.64	383.74	7.98	-68.66
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(N3CCOCC3)C=C2)C(F)=C1	REAL300012095430	1	46	0.0	-67.90	375.84	7.69	-60.21
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OC	REAL300012095431	1	41	0.0	-72.31	350.58	8.06	-64.25
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2)C(F)=C1	REAL300012095433	1	36	0.0	-72.98	330.57	9.86	-63.12
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(Cl)C(Cl)=C2)C(F)=C1	REAL300012095436	1	33	0.0	-73.25	323.75	9.83	-63.42
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OC(F)F)C=C2)C(F)=C1	REAL300012095437	1	37	0.0	-70.54	331.09	8.44	-62.10
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC=C2C(F)(F)F)C(F)=C1	REAL300012095438	1	36	0.0	-63.89	320.39	9.94	-53.95
CCCCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095439	1	46	0.0	-68.06	386.19	10.67	-57.39
CC(C)CCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095440	1	49	0.0	-67.95	403.75	11.19	-56.76
CCCCCCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095441	1	52	0.0	-67.86	429.18	12.23	-55.63
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)C(F)=C1	REAL300012095442	1	44	0.0	-70.26	382.25	11.77	-58.49
COC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095444	1	37	0.0	-66.96	321.34	8.16	-58.80
CC(=CC1=CC=CC=C1)C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095445	0	40	0.0	-66.38	339.50	10.64	-55.74
CCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OC	REAL300012095446	1	44	0.0	-72.13	372.44	8.98	-63.15
CC(C)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095447	1	42	0.0	-65.04	352.06	10.79	-54.25
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(C(F)(F)F)=C2)C(F)=C1	REAL300012095448	1	36	0.0	-71.21	330.89	9.88	-61.33
CCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095451	1	40	0.0	-68.25	343.19	9.09	-59.16
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)C(F)=C1	REAL300012095454	1	43	0.0	-68.58	366.05	12.28	-56.30
COC1=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C2=CC=CC=C2C=C1	REAL300012095455	1	43	0.0	-61.12	362.22	10.34	-50.78
N#CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095456	1	34	0.0	-77.10	312.69	9.26	-67.84
CSC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095457	1	37	0.0	-68.89	332.05	9.89	-59.00
CCC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095460	1	39	0.0	-65.09	334.72	10.30	-54.79
CC1=CC(C)=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300012095461	1	42	0.0	-63.80	346.41	10.60	-53.20
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(F)C(F)=C2)C(F)=C1	REAL300012095463	1	33	0.0	-76.18	304.54	8.98	-67.20
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)C(F)=C1	REAL300012095465	1	47	0.0	-67.78	403.10	12.14	-55.64
CC1=NN(C)C(C)=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095468	1	39	0.0	-69.01	333.72	7.64	-61.37
CN(CCC#N)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095474	1	45	0.0	-69.74	386.00	10.72	-59.02
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)C(F)=C1	REAL300012095475	1	43	0.0	-66.15	371.95	10.61	-55.54
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OCC(N)=O	REAL300012095477	1	45	0.0	-85.81	389.17	6.02	-79.79
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC2=C1OCO2	REAL300012095479	1	40	0.0	-77.48	347.42	6.80	-70.68
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1C	REAL300012095483	1	40	0.0	-68.20	341.41	8.91	-59.29
CSC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)S1	REAL300012095487	1	34	0.0	-66.69	325.35	9.19	-57.50
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095488	0	46	0.0	-59.99	381.12	12.70	-47.29
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095491	1	39	0.0	-78.18	352.54	6.38	-71.80
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C(F)=C1	REAL300012095492	1	43	0.0	-69.54	382.77	12.80	-56.74
NC(=O)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095494	1	37	0.0	-77.52	326.37	5.64	-71.88
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1F	REAL300012095495	1	37	0.0	-75.31	327.57	8.23	-67.08
COC(=O)C1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CN1C	REAL300012095497	1	40	0.0	-72.61	351.26	9.04	-63.57
CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300012095498	1	36	0.0	-68.38	327.30	9.96	-58.42
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1C	REAL300012095499	1	40	0.0	-68.23	341.41	8.90	-59.33
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C(F)=C1	REAL300012095502	1	46	0.0	-70.06	395.87	10.45	-59.61
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CN=C(N3CCOCC3)S2)C(F)=C1	REAL300012095504	1	42	0.0	-69.75	365.53	6.18	-63.57
C#CCCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095505	1	42	0.0	-69.07	370.47	10.41	-58.66
CC1=NN(C)C2=NC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C=C12	REAL300012095507	1	41	0.0	-79.14	358.11	8.59	-70.55
CCOCC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1OC	REAL300012095511	1	47	0.0	-66.73	395.43	9.07	-57.66
O=C([O-])C1=CC(F)=C(C[NH2+]CC2CCCCCCC2)C(F)=C1	REAL300012095514	0	45	0.0	-64.09	334.51	10.05	-54.04
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C3CCCC3=C2)C(F)=C1	REAL300012095517	1	40	0.0	-65.65	337.37	10.77	-54.88
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC(F)=CC(Br)=C2)C(F)=C1	REAL300012095521	1	33	0.0	-72.31	319.54	9.54	-62.77
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=CC=NC=C3C=C2)C(F)=C1	REAL300012095522	1	38	0.0	-73.68	332.84	9.34	-64.34
COC1=CC(F)=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095524	1	37	0.0	-70.48	327.75	8.23	-62.25
CS(=O)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095527	1	38	0.0	-78.75	344.05	7.46	-71.29
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C3CCCCC3=C2)C(F)=C1	REAL300012095528	1	43	0.0	-65.19	354.53	11.35	-53.84
COC(=O)C1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CN1	REAL300012095530	1	37	0.0	-73.22	333.49	7.29	-65.93
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=C1OC	REAL300012095532	1	44	0.0	-70.53	365.65	8.76	-61.77
CC1=NC(F)=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095534	1	35	0.0	-75.82	308.18	7.61	-68.21
CS(=O)(=O)C1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095537	1	39	0.0	-76.74	352.54	6.37	-70.37
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC(Cl)=CS2)C(F)=C1	REAL300012095538	1	30	0.0	-67.22	298.94	8.48	-58.74
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3CCCC3)C=C2)C(F)=C1	REAL300012095539	1	46	0.0	-65.21	375.38	12.05	-53.16
CC1=CC(Cl)=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095540	1	36	0.0	-68.48	329.97	10.03	-58.45
COCC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095541	1	40	0.0	-67.79	346.90	8.59	-59.20
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3CC3)C=C2)C(F)=C1	REAL300012095543	1	40	0.0	-65.79	341.06	10.97	-54.82
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C(F)F)C=C2)C(F)=C1	REAL300012095547	1	36	0.0	-70.14	324.03	9.73	-60.41
COC1=CC(C)=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=N1	REAL300012095548	1	42	0.0	-71.18	352.68	6.61	-64.57
CCC1=CC(OC)=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095550	1	43	0.0	-66.88	354.79	9.44	-57.44
CCCN1N=C(C)C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1C	REAL300012095552	1	45	0.0	-68.52	377.04	9.25	-59.27
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3CCC3)C=C2)C(F)=C1	REAL300012095555	1	43	0.0	-65.22	357.59	11.45	-53.77
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC2=CC=CC=C21	REAL300012095556	1	43	0.0	-70.90	366.31	10.47	-60.43
CCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1F	REAL300012095557	1	40	0.0	-73.72	349.42	9.16	-64.56
COC1=CC=CC2=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C=CC=C12	REAL300012095558	0	43	0.0	-69.90	361.23	10.35	-59.55
N#CC1=CSC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095559	1	31	0.0	-75.01	303.10	8.39	-66.62
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1C#N	REAL300012095560	1	38	0.0	-81.54	341.54	8.57	-72.97
CC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1C#N	REAL300012095563	1	37	0.0	-77.59	331.84	9.76	-67.83
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC=C2C2CC2)C(F)=C1	REAL300012095567	1	40	0.0	-63.99	334.82	10.87	-53.12
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095569	1	48	0.0	-70.82	401.53	11.57	-59.25
CN1C(=O)CCC2=CC(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)=CC=C21	REAL300012095572	1	44	0.0	-76.74	367.70	9.76	-66.98
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C(F)=C1	REAL300012095574	1	39	0.0	-70.03	373.58	10.40	-59.63
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)C(F)=C1	REAL300012095575	1	39	0.0	-71.83	361.37	10.12	-61.71
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)C(F)=C1	REAL300012095580	1	39	0.0	-70.51	365.02	10.11	-60.40
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CN=C(C3=CC=CO3)S2)C(F)=C1	REAL300012095583	1	36	0.0	-71.33	339.63	7.96	-63.37
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(Br)C(Cl)=C2)C(F)=C1	REAL300012095584	1	33	0.0	-73.41	327.96	9.93	-63.48
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)C(F)=C1	REAL300012095585	1	45	0.0	-69.09	401.42	11.38	-57.71
CN1C=C(C2=CC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C=C2)C=N1	REAL300012095586	1	43	0.0	-71.43	371.95	10.16	-61.27
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C(F)=C1	REAL300012095588	1	44	0.0	-71.59	386.93	11.78	-59.81
CN1C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C2=CC=C(F)C=C2)=N1	REAL300012095589	1	43	0.0	-72.47	377.55	10.11	-62.36
CN1C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C2=CC=C(C#N)C=C2)=N1	REAL300012095590	1	44	0.0	-77.63	391.98	10.43	-67.20
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=N1	REAL300012095593	1	47	0.0	-74.25	400.21	11.29	-62.96
CCC1=NN(C)C(CC)=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095594	1	45	0.0	-68.50	376.71	9.09	-59.41
CN1C=C(C2=CC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)S2)C=N1	REAL300012095599	1	40	0.0	-69.97	365.79	9.55	-60.42
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C3OCCCCOC3=C2)C(F)=C1	REAL300012095600	1	45	0.0	-71.63	370.91	9.75	-61.88
CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C2=CN(C)N=C2)=C1	REAL300012095608	0	46	0.0	-61.62	389.58	10.71	-50.91
CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C2=CC=NN2C)=C1	REAL300012095609	0	46	0.0	-65.04	387.34	10.42	-54.62
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=C(C3CC3)N=CS2)C(F)=C1	REAL300012095613	1	36	0.0	-67.81	327.32	8.29	-59.52
N#CCCN1C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C2=CC=NC=C2)=N1	REAL300012095614	1	46	0.0	-79.68	408.59	9.66	-70.02
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)C(F)=C1	REAL300012095615	1	39	0.0	-62.79	352.89	12.48	-50.31
COC(=O)C1=C(C)N(C)C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095616	1	43	0.0	-76.03	369.89	9.37	-66.66
COCCOCC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095619	1	47	0.0	-69.11	402.38	8.82	-60.29
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CSC=C2C(F)(F)F)C(F)=C1	REAL300012095621	1	33	0.0	-61.64	311.73	8.83	-52.81
CC1=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)SC2=C(Cl)C=CC=C12	REAL300012095622	0	39	0.0	-67.97	362.30	11.43	-56.54
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(C3CC3)=C2)C(F)=C1	REAL300012095624	1	40	0.0	-65.76	341.05	10.96	-54.80
N#CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1F	REAL300012095625	1	34	0.0	-82.30	318.59	9.30	-73.00
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(F)=C1	REAL300012095626	1	36	0.0	-78.15	331.44	7.96	-70.19
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)O1	REAL300012095628	1	43	0.0	-65.96	374.92	9.26	-56.70
COC(=O)C1=C(C)C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CN1	REAL300012095631	1	40	0.0	-73.17	349.40	7.88	-65.29
CC1=CC=C(C2=NC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)S2)C=C1C	REAL300012095632	1	45	0.0	-69.17	395.23	11.09	-58.08
CC(C)(C#N)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095636	1	43	0.0	-71.29	368.45	10.82	-60.47
CC(C)C1=CC=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095637	1	42	0.0	-63.80	345.73	10.65	-53.15
CCC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095644	1	39	0.0	-65.25	334.72	10.29	-54.96
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC3=C2CCC3)C(F)=C1	REAL300012095647	1	40	0.0	-64.98	336.14	10.69	-54.29
CCCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300012095649	1	46	0.0	-66.97	379.50	10.52	-56.45
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=CC=NC=C3S2)C(F)=C1	REAL300012095650	0	35	0.0	-72.17	323.96	8.62	-63.55
CCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300012095657	1	43	0.0	-67.23	358.01	9.72	-57.51
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(C3CCCC3)=C2)C(F)=C1	REAL300012095661	1	46	0.0	-65.15	376.06	12.07	-53.08
CN1C=C(C2=NN(C)C=C2C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=N1	REAL300012095662	1	43	0.0	-69.54	375.08	7.87	-61.67
COCC1=CSC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095663	1	37	0.0	-65.58	337.36	7.69	-57.89
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)C(F)=C1	REAL300012095665	1	39	0.0	-69.47	373.59	10.40	-59.07
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OC3CCOC3)C=C2)C(F)=C1	REAL300012095671	1	45	0.0	-70.32	377.19	8.51	-61.81
COC(=O)C1=C2CCCCN2C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095673	1	47	0.0	-76.31	393.53	10.60	-65.71
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC(C(F)(F)F)=C1	REAL300012095675	1	40	0.0	-71.85	360.06	9.15	-62.70
C=CCOC1=C(Cl)C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OC	REAL300012095676	1	45	0.0	-75.66	405.30	10.23	-65.43
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OC1CC1	REAL300012095677	1	45	0.0	-73.69	381.62	9.73	-63.96
COCC(C)OC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095680	1	47	0.0	-70.02	393.42	9.07	-60.95
CCCC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)S1	REAL300012095681	1	39	0.0	-63.66	346.92	10.32	-53.34
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(F)=C1	REAL300012095682	1	40	0.0	-69.19	359.20	11.48	-57.71
CC(C)C1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095684	1	42	0.0	-65.19	352.06	10.78	-54.41
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1C(C)(C)C	REAL300012095687	1	49	0.0	-67.42	392.50	10.84	-56.58
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(CC3CCC3)=C2)C(F)=C1	REAL300012095688	1	46	0.0	-65.12	382.89	12.37	-52.75
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=C(O)C=CC=C2Br)C(F)=C1	REAL300012095692	1	34	0.0	-60.68	319.61	6.56	-54.12
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1Cl	REAL300012095694	1	37	0.0	-73.27	337.37	8.71	-64.56
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC=C2CC(F)(F)F)C(F)=C1	REAL300012095697	1	39	0.0	-64.50	341.00	10.43	-54.07
CN1N=CC2=CC(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)=CN=C21	REAL300012095701	1	38	0.0	-78.51	336.14	7.99	-70.52
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)C(F)=C1	REAL300012095704	1	39	0.0	-68.68	352.80	10.65	-58.03
CCOC(=O)C1=C(C)C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C(C)N1	REAL300012095706	1	46	0.0	-71.48	392.17	9.26	-62.22
CC1=C(C)C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CS1	REAL300012095707	1	36	0.0	-64.60	318.42	9.19	-55.41
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C(F)=C1	REAL300012095709	1	43	0.0	-71.29	384.87	12.83	-58.46
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)C(F)=C1	REAL300012095714	1	39	0.0	-73.16	338.36	11.03	-62.13
CCOC1=CC(F)=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095719	1	40	0.0	-70.21	349.60	9.16	-61.05
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C(=O)N3CCCC3)C=C2)C(F)=C1	REAL300012095720	1	47	0.0	-78.80	387.89	9.86	-68.94
CC(C)(C)OC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095722	1	46	0.0	-65.98	372.24	9.99	-55.99
CC1=C(Cl)C=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095723	1	36	0.0	-68.33	321.29	9.85	-58.48
CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=C1Br	REAL300012095725	1	39	0.0	-67.54	342.93	10.57	-56.97
CC(C)(C)OC(=O)NC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095727	1	50	0.0	-70.92	413.93	9.10	-61.82
CN1C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C2=CC(F)=CC=C2F)=N1	REAL300012095728	1	43	0.0	-70.98	384.15	10.18	-60.80
CCN1C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C2=CC=CC=C2)=N1	REAL300012095734	1	46	0.0	-69.18	392.68	10.91	-58.27
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC3=C2CCOC3)C(F)=C1	REAL300012095735	1	41	0.0	-67.82	338.67	8.83	-58.99
COCC1=C(C)C=C(C)C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1C	REAL300012095736	1	49	0.0	-65.45	393.35	10.09	-55.36
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C3OC(=O)OC3=C2)C(F)=C1	REAL300012095737	1	35	0.0	-83.29	319.60	9.41	-73.88
CC1=C(Br)C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)S1	REAL300012095738	1	33	0.0	-66.46	324.42	9.36	-57.10
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C(F)=C1	REAL300012095739	1	43	0.0	-70.29	382.78	12.79	-57.50
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC3=NC=CC=C23)C(F)=C1	REAL300012095740	0	38	0.0	-73.79	327.94	9.11	-64.68
CCCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1C	REAL300012095741	1	46	0.0	-67.89	384.76	10.63	-57.26
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=NC=CN=C3C=C2)C(F)=C1	REAL300012095742	1	37	0.0	-75.14	327.88	7.28	-67.86
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1CN1C=CC=N1	REAL300012095743	1	47	0.0	-73.91	403.92	9.85	-64.06
CC1=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=CC=C1[N+](=O)[O-]	REAL300012095746	1	38	0.0	-79.87	330.32	9.92	-69.95
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095747	1	41	0.0	-77.72	348.51	10.41	-67.31
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(OC3=CC=CC=N3)=C2)C(F)=C1	REAL300012095751	1	43	0.0	-69.51	378.48	9.24	-60.27
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(COC3=CC=CC=C3)=C2)C(F)=C1	REAL300012095752	1	47	0.0	-68.83	403.11	12.13	-56.70
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095755	1	49	0.0	-70.10	407.17	11.86	-58.24
CC1=CC(C#N)=CC(C)=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095756	1	40	0.0	-74.19	345.76	10.31	-63.88
CCCC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095759	1	42	0.0	-65.02	356.22	11.08	-53.94
O=C([O-])C1=CC(F)=C(CNCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C(F)=C1	REAL300012095762	0	52	0.0	-64.86	420.47	10.47	-54.39
CC1=C2C=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C=NC2=NN1	REAL300012095763	1	38	0.0	-82.23	334.90	7.38	-74.85
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095764	1	41	0.0	-81.59	369.14	5.47	-76.12
CCC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)S1	REAL300012095768	1	36	0.0	-63.78	325.43	9.55	-54.23
CC1=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)N2C=CC=CC2=N1	REAL300012095770	1	39	0.0	-73.93	339.21	9.85	-64.08
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CNCC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095771	0	53	0.0	-67.39	406.92	11.48	-55.91
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNCC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095771	1	53	0.0	-67.40	410.19	11.63	-55.77
CCC1=NC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)S1	REAL300012095772	1	35	0.0	-67.41	320.02	7.58	-59.83
COC1=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)SC=C1	REAL300012095773	1	34	0.0	-59.26	311.96	7.27	-51.99
CCCC(C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F)C1=CC=CC=C1	REAL300012095778	0	45	0.0	-65.27	370.15	11.53	-53.74
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C(F)(F)F)S2)C(F)=C1	REAL300012095780	1	33	0.0	-71.50	322.69	9.17	-62.33
CN(C)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C(F)(F)F)=C1	REAL300012095781	1	44	0.0	-63.71	371.43	10.32	-53.39
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095782	0	43	0.0	-67.17	373.57	11.48	-55.69
CC(C)C1CCC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)CC1	REAL300012095784	0	48	0.0	-63.29	361.72	10.67	-52.62
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095787	0	44	0.0	-69.32	378.48	10.26	-59.06
COCC1=CC=CC=C1C=C(C)C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095788	0	47	0.0	-69.49	390.36	10.46	-59.03
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095789	0	43	0.0	-65.14	366.26	9.76	-55.38
O=C([O-])C1=CC(F)=C(C[NH2+]C[C@@H]2C[C@H]2C2=CC=CC=C2)C(F)=C1	REAL300012095795	0	40	0.0	-66.56	341.01	10.99	-55.57
CC1=C(Br)C=NC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095802	1	35	0.0	-71.18	320.28	8.22	-62.96
CC1=C2C=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)NC2=CC=C1	REAL300012095806	1	40	0.0	-71.14	344.67	9.45	-61.69
O=C([O-])C1=CC(F)=C(CNCC2=CC=NN2C2=CC=[NH+]C=C2)C(F)=C1	REAL300012095807	1	39	0.0	-64.02	342.15	7.94	-56.08
CC1=CC=C2C=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)NC2=C1	REAL300012095808	1	40	0.0	-70.77	345.09	9.46	-61.31
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC3=NNC=C32)C(F)=C1	REAL300012095812	1	36	0.0	-76.56	317.96	7.56	-69.00
CCC(F)(F)C(C)(C)C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095813	0	41	0.0	-61.67	331.35	9.25	-52.42
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C3C=CNC3=C2)C(F)=C1	REAL300012095814	1	37	0.0	-68.72	323.20	8.89	-59.83
COC1=CN=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1C	REAL300012095819	1	39	0.0	-69.93	330.36	7.02	-62.91
CC1=CC(C)=C(C=CC[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300012095820	0	46	0.0	-68.09	381.87	11.99	-56.10
CC(C)(C)OC(=O)NC(C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F)CC(F)F	REAL300012095821	0	49	0.0	-77.00	398.44	7.68	-69.32
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C(F)=C1	REAL300012095826	1	38	0.0	-79.53	339.25	9.30	-70.23
CC1=CC(C)=C(C=CC[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1C	REAL300012095827	0	46	0.0	-67.18	378.75	11.88	-55.30
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095828	1	38	0.0	-78.91	346.08	3.82	-75.09
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(OC3=CC=C(F)C=C3)=C2)C(F)=C1	REAL300012095835	1	44	0.0	-69.60	386.96	11.78	-57.82
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C3OCCCC3=C2)C(F)=C1	REAL300012095836	1	41	0.0	-68.67	345.54	9.49	-59.18
CC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C2CCCCC2=N1	REAL300012095841	1	45	0.0	-71.56	364.41	10.05	-61.51
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC=C2N2CCCCC2)C(F)=C1	REAL300012095842	1	48	0.0	-60.55	385.79	10.91	-49.64
CC1=CC(F)=NC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095846	1	35	0.0	-75.16	309.11	7.59	-67.57
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C(F)F)C(F)=C2)C(F)=C1	REAL300012095847	1	36	0.0	-77.22	331.27	9.84	-67.38
COC(=O)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1C	REAL300012095848	1	42	0.0	-75.18	362.67	10.06	-65.12
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300012095849	1	40	0.0	-67.30	336.16	8.79	-58.51
CC1CC2=CC(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)=CC=C2O1	REAL300012095852	1	41	0.0	-70.04	348.72	9.44	-60.60
CSCC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095855	1	40	0.0	-67.51	357.96	10.75	-56.76
COC1=CC=C(C)C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095863	1	40	0.0	-65.42	336.15	8.78	-56.64
CN1C=NC2=CC=CC(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)=C21	REAL300012095864	1	39	0.0	-73.12	330.24	10.12	-63.00
CCC1=CC=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095865	1	39	0.0	-63.51	325.30	10.15	-53.36
CN(C)C(=O)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095866	1	43	0.0	-78.48	361.14	8.55	-69.93
CC1=CC(F)=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095867	1	36	0.0	-69.63	319.65	9.60	-60.03
CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=C1C	REAL300012095868	1	42	0.0	-63.84	341.39	10.59	-53.25
CCNC(=O)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095869	1	43	0.0	-77.31	369.79	7.99	-69.32
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095870	1	45	0.0	-58.68	345.28	11.06	-47.62
COC1=CC=C2SC(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)=CC2=C1	REAL300012095872	0	40	0.0	-69.06	358.77	9.69	-59.37
CCN(CC)C(=O)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095874	1	49	0.0	-77.85	402.86	10.60	-67.25
CCN1CCC2=CC(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)=CC=C21	REAL300012095875	1	45	0.0	-67.15	364.28	9.00	-58.15
CCN(C)C(=O)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095876	1	46	0.0	-78.00	384.74	9.73	-68.27
CSC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1Cl	REAL300012095878	1	37	0.0	-72.06	347.06	10.33	-61.73
CC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1C1CC1	REAL300012095879	1	43	0.0	-65.56	358.26	11.49	-54.07
CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1C1CC1	REAL300012095881	1	43	0.0	-65.61	358.27	11.49	-54.12
CC1=NN(C2=CC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C(C)=C2)C=C1	REAL300012095882	1	46	0.0	-74.19	386.93	11.26	-62.93
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C(F)=C1	REAL300012095883	1	39	0.0	-72.81	363.04	10.74	-62.07
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095884	1	43	0.0	-73.26	382.20	11.18	-62.08
CC1=NN(C2=CC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C=C2)C=C1Cl	REAL300012095886	1	43	0.0	-74.76	388.75	11.14	-63.62
CC(C)(C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F)C1=CC=C(Br)C=C1	REAL300012095889	0	42	0.0	-67.82	361.21	11.20	-56.62
CC1=NN(C(C)C)C(C)=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095890	1	45	0.0	-68.24	375.29	9.17	-59.07
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC(Cl)=CC(Br)=C2)C(F)=C1	REAL300012095893	1	33	0.0	-71.28	329.86	9.98	-61.30
CC1=CC=C(C2=CC=CC=C2C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300012095894	0	49	0.0	-59.87	402.41	13.36	-46.51
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C(=O)N3CCCCC3)C=C2)C(F)=C1	REAL300012095898	1	50	0.0	-78.14	407.37	10.81	-67.33
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095900	1	43	0.0	-74.65	363.21	11.78	-62.87
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CNN=C2C2=CC=C(Cl)O2)C(F)=C1	REAL300012095902	1	37	0.0	-66.20	348.04	7.78	-58.42
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CN3C=CN=C3S2)C(F)=C1	REAL300012095907	1	33	0.0	-79.25	309.22	8.82	-70.43
CC(C)(C)OC(=O)N1CCC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)CC1	REAL300012095911	0	53	0.0	-72.67	415.55	9.90	-62.77
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(S(=O)(=O)C(F)F)=C2)C(F)=C1	REAL300012095913	1	39	0.0	-75.22	365.71	6.78	-68.44
CC1OC2=CC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C=C2C1C	REAL300012095914	1	44	0.0	-69.94	365.22	9.96	-59.98
CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OC(F)F	REAL300012095915	1	40	0.0	-66.56	351.17	9.19	-57.37
CC(C)CC1=CC=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095916	1	45	0.0	-63.31	361.60	11.28	-52.03
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C3CCOC3=C2)C(F)=C1	REAL300012095922	1	38	0.0	-68.45	327.69	8.70	-59.75
CSC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095925	1	37	0.0	-66.97	332.05	9.88	-57.09
CC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC(C)=N1	REAL300012095927	1	38	0.0	-71.50	329.94	8.31	-63.19
CN1C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C2=CC=CC(F)=C2)=N1	REAL300012095929	1	43	0.0	-68.13	377.56	10.11	-58.02
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(CC3CC3)S2)C(F)=C1	REAL300012095932	1	40	0.0	-63.94	357.03	11.11	-52.83
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OC3CC3)C=C2)C(F)=C1	REAL300012095933	1	41	0.0	-69.15	352.38	9.83	-59.32
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C(F)=C1	REAL300012095935	1	39	0.0	-71.18	363.03	10.74	-60.44
CC1=NC=CN1C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300012095936	1	46	0.0	-75.89	387.02	11.88	-64.01
CC1=C(C)N(C2=CC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C=C2)C=N1	REAL300012095937	1	46	0.0	-77.01	389.57	12.47	-64.54
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C(F)=C1	REAL300012095939	1	47	0.0	-66.21	386.26	12.89	-53.32
C[NH+](C)CCC1=CC=C(CNCC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012095940	0	47	0.0	-66.24	389.52	10.26	-55.98
CC1=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)OC2=CC=C(F)C=C12	REAL300012095942	1	39	0.0	-71.07	346.53	10.08	-60.99
CC(C)(C)C1=CN=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095947	1	44	0.0	-69.70	363.23	9.36	-60.34
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC3=C2C2=C(C=CC=C2)N3)C(F)=C1	REAL300012095949	0	43	0.0	-66.49	364.71	10.89	-55.60
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC3=C2COCC3)C(F)=C1	REAL300012095954	1	41	0.0	-67.19	338.55	8.85	-58.34
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C(F)=C1	REAL300012095958	1	40	0.0	-75.09	354.26	8.80	-66.29
CN(CCO)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=N1	REAL300012095964	1	44	0.0	-68.66	369.37	6.50	-62.16
COC1=CC(C)=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=N1	REAL300012095967	1	39	0.0	-71.07	334.15	6.18	-64.89
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=CC=C(F)C=C3NC2=O)C(F)=C1	REAL300012095969	1	39	0.0	-71.31	348.59	7.98	-63.33
CN1C(=O)C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC2=CC=CC=C21	REAL300012095970	1	42	0.0	-67.34	359.18	9.67	-57.67
CC1=CC(C)=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=C1Br	REAL300012095973	1	42	0.0	-67.03	362.14	10.97	-56.06
O=C([O-])C1=CC(F)=C(C[NH2+]CC=CC2=CC=C3OCOC3=C2)C(F)=C1	REAL300012095974	1	40	0.0	-73.45	348.94	8.82	-64.63
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(CC3CCC3)C=C2)C(F)=C1	REAL300012095975	1	46	0.0	-64.87	382.91	12.38	-52.49
CC(C)(C)OC(=O)NC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095978	1	50	0.0	-73.33	413.92	9.10	-64.23
CC(F)(F)C1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012095983	1	39	0.0	-69.44	345.05	10.38	-59.06
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C(F)=C1	REAL300012095984	1	39	0.0	-72.55	354.77	9.64	-62.91
CN1C=C(C2=NNC=C2C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=N1	REAL300012095985	1	40	0.0	-69.98	352.33	6.56	-63.42
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C(F)=C1	REAL300012095990	1	40	0.0	-68.32	357.40	11.29	-57.03
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C(F)=C1	REAL300012095992	0	39	0.0	-70.65	349.52	11.50	-59.15
C=CCC1=CC=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012095994	1	40	0.0	-64.36	338.95	10.73	-53.63
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C(F)=C1	REAL300012095995	1	53	0.0	-67.20	422.07	12.38	-54.82
COC1=CC=CC(OC2=CC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C=C2)=C1	REAL300012095996	1	48	0.0	-74.06	410.03	11.01	-63.05
CCN1CCCC2=CC(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)=CC=C21	REAL300012095997	1	48	0.0	-65.60	380.77	9.87	-55.73
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012096000	1	48	0.0	-71.08	411.13	11.64	-59.44
O=C([O-])C1=CC(F)=C(C[NH2+]CC=CC2=CC=CC=C2)C(F)=C1	REAL300012096001	0	37	0.0	-66.95	322.87	10.16	-56.79
COCC1=CC=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012096003	1	40	0.0	-67.35	338.26	8.71	-58.64
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C(F)=C1	REAL300012096004	1	37	0.0	-71.53	348.23	10.32	-61.21
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C3C(=C2)CCC32OCCO2)C(F)=C1	REAL300012096005	1	46	0.0	-70.79	385.04	9.53	-61.26
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C3CCOCC3=C2)C(F)=C1	REAL300012096006	1	41	0.0	-68.18	345.53	8.97	-59.21
CC1=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)SC2=CC(F)=CC=C12	REAL300012096008	0	39	0.0	-69.19	352.52	10.96	-58.23
O=C([O-])C1=CC(F)=C(C[NH2+]CC=CC2=CC=NC=C2)C(F)=C1	REAL300012096011	1	36	0.0	-71.97	317.90	8.40	-63.57
CN1C=CC(C2=NNC=C2C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=N1	REAL300012096012	1	40	0.0	-64.36	352.14	6.92	-57.44
C=CC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012096014	1	37	0.0	-66.38	322.95	9.95	-56.43
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(OCC3CCC3)=C2)C(F)=C1	REAL300012096015	1	47	0.0	-66.42	391.43	11.21	-55.21
CC(F)(F)C1=CC=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012096016	1	39	0.0	-60.44	332.30	10.40	-50.04
COC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CC=C1OCCO	REAL300012096017	1	45	0.0	-75.17	383.81	5.90	-69.27
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OCCO	REAL300012096019	1	45	0.0	-75.11	383.81	5.90	-69.21
CN1C=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C2=CC=NN2C)=N1	REAL300012096020	1	43	0.0	-71.78	377.36	7.78	-64.00
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=CN=CC=C3C=C2)C(F)=C1	REAL300012096022	1	38	0.0	-74.00	332.83	9.34	-64.66
CC1=CC2=CC=CC(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)=C2O1	REAL300012096023	1	39	0.0	-64.79	341.07	10.01	-54.78
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C(F)=C1	REAL300012096024	1	36	0.0	-68.92	325.63	9.98	-58.94
CC(C)OC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1F	REAL300012096031	1	43	0.0	-73.50	367.36	9.79	-63.71
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(C(F)F)=C2)C(F)=C1	REAL300012096034	1	36	0.0	-67.68	326.00	9.79	-57.89
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC(Cl)=C2C(F)(F)F)C(F)=C1	REAL300012096043	1	36	0.0	-68.03	333.34	10.34	-57.69
COC1=NC(C)=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=C1Cl	REAL300012096047	1	42	0.0	-73.85	366.10	7.10	-66.75
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C(=O)N3CCOCC3)C=C2)C(F)=C1	REAL300012096058	1	48	0.0	-79.36	396.55	8.31	-71.05
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC=C2C(F)F)C(F)=C1	REAL300012096060	1	36	0.0	-60.91	315.50	9.85	-51.06
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=CNN=C3C=C2)C(F)=C1	REAL300012096063	1	36	0.0	-75.33	318.09	7.58	-67.75
CC1=C(F)C=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012096065	1	36	0.0	-69.55	312.55	9.45	-60.10
CN1C=C(C2=CC=CC(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)=C2)C=N1	REAL300012096066	1	43	0.0	-70.85	371.96	10.15	-60.70
CC1=CC=C(Br)C=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012096068	1	36	0.0	-66.77	327.96	10.11	-56.66
COC1=NC2=CC=C(C[NH2+]CC3=C(F)C=C(C(=O)[O-])C=C3F)C=C2S1	REAL300012096070	1	39	0.0	-75.21	356.25	6.68	-68.53
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=NC(Br)=C2)C(F)=C1	REAL300012096071	1	32	0.0	-75.25	308.18	7.59	-67.66
CC1=NC(Cl)=CC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012096073	1	35	0.0	-74.33	318.64	8.09	-66.24
CC(C)(C)COC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012096074	1	49	0.0	-66.05	403.62	11.20	-54.85
COC1=CC(Cl)=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012096075	1	37	0.0	-69.49	338.07	8.67	-60.82
CN1N=CC=C1C1=NNC=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012096080	1	40	0.0	-72.42	354.40	6.47	-65.95
COC(=O)C1=C(C)NC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1C	REAL300012096082	1	43	0.0	-75.87	374.55	8.60	-67.27
CC1=CC(Br)=CC(C)=C1C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012096084	1	39	0.0	-68.49	347.14	10.50	-57.99
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3CCCCC3)C=C2)C(F)=C1	REAL300012096088	1	49	0.0	-64.95	393.69	12.67	-52.28
COC1=CC=CC=C1C=CC[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012096089	1	41	0.0	-66.43	351.25	9.52	-56.91
CC1=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)SC(Br)=C1	REAL300012096090	1	33	0.0	-66.95	322.23	9.28	-57.67
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C(F)=C1	REAL300012096097	1	46	0.0	-66.38	394.63	13.32	-53.06
CCCCC(=O)NC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012096098	1	49	0.0	-71.50	411.52	10.11	-61.39
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=N1	REAL300012096099	1	39	0.0	-72.28	334.51	6.09	-66.19
CCN(C)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(C)=C1	REAL300012096100	1	47	0.0	-63.37	379.96	10.84	-52.53
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(CF)C=C2)C(F)=C1	REAL300012096105	1	36	0.0	-68.38	319.82	9.68	-58.70
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C(F)=C1	REAL300012096106	1	37	0.0	-74.44	353.86	9.21	-65.23
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C3SC=CC3=C2)C(F)=C1	REAL300012096107	1	36	0.0	-70.76	328.76	10.23	-60.53
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C(F)=C1	REAL300012096108	1	42	0.0	-71.84	361.25	10.53	-61.31
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC=C2CO)C(F)=C1	REAL300012096109	1	37	0.0	-68.87	316.05	6.31	-62.56
CC1=CC=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1C(F)(F)F	REAL300012096112	1	39	0.0	-60.87	334.30	10.36	-50.51
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC3=NNC=C3C=C2)C(F)=C1	REAL300012096114	1	36	0.0	-71.15	318.08	7.58	-63.57
CCC(C)C1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300012096115	1	45	0.0	-64.96	370.50	11.45	-53.51
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=C3SC(C(F)F)=NC3=CC=C2)C(F)=C1	REAL300012096117	1	38	0.0	-71.14	357.60	9.21	-61.93
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C(F)=C1	REAL300012096122	1	43	0.0	-65.24	347.18	11.23	-54.01
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300012096123	0	40	0.0	-71.17	352.33	10.76	-60.41
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C(F)=C1	REAL300012096125	1	39	0.0	-80.53	344.20	8.77	-71.76
CC1=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=CC2=CC=CC=C12	REAL300012096126	1	42	0.0	-67.73	349.28	11.56	-56.17
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C(F)=C1	REAL300012096130	1	46	0.0	-68.02	379.44	5.87	-62.15
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC=C2C(=O)N2CCCCC2)C(F)=C1	REAL300012096133	1	50	0.0	-59.84	403.20	10.76	-49.08
CC1=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C2=NC=CC=C2C=C1	REAL300012096134	1	41	0.0	-60.06	347.55	9.94	-50.12
CC1=CC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=CN=C1N1C=CC=N1	REAL300012096135	1	42	0.0	-77.25	363.96	10.20	-67.05
COC(=O)C1=CN(C)C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300012096136	1	40	0.0	-75.75	353.74	8.98	-66.77
CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300012096140	0	57	0.0	-55.29	421.44	10.22	-45.07
CC1=CC=C(C)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096141	0	57	0.0	-57.39	418.99	10.37	-47.02
CC(C)C[C@H]([NH2+]CC1=CC2=CC=CN=C2C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096142	0	56	0.0	-66.41	424.74	9.31	-57.10
CC(C)C[C@H]([NH2+]CC1CC2C=CC1C2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096143	0	56	0.0	-57.06	400.92	9.49	-47.57
CC(C)C[C@H]([NH2+]CC1CCCCC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096144	0	57	0.0	-56.94	410.28	9.22	-47.72
CC(C)C[C@H]([NH2+]CC1=CC=C(C(C)(C)C)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096145	0	63	0.0	-57.41	459.82	11.27	-46.14
CC(C)C[C@H]([NH2+]CC1=CNN=C1C1=CC=CC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096146	0	58	0.0	-63.20	432.52	8.78	-54.42
CC(C)C[C@H]([NH2+]CC1=CC=C(Br)O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096147	1	48	0.0	-63.63	385.63	7.89	-55.74
CCOC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1OC	REAL300012096148	0	62	0.0	-65.53	466.55	9.06	-56.47
CC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300012096149	0	57	0.0	-54.86	422.90	9.99	-44.87
CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300012096150	0	57	0.0	-56.35	425.26	9.84	-46.51
CC(C)C[C@H]([NH2+]CC1=CC=CC=C1OC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096151	0	61	0.0	-54.47	450.35	9.98	-44.49
CCC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC=C2O1	REAL300012096152	0	60	0.0	-60.43	452.70	10.86	-49.57
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(Cl)=C1	REAL300012096153	0	55	0.0	-49.90	427.55	8.42	-41.48
CC(C)C[C@H]([NH2+]CC1=CC=CC(C#N)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096154	0	52	0.0	-66.00	406.05	9.23	-56.77
CC(C)C[C@H]([NH2+]CC1=CNN=C1C1=CC=CS1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096155	0	55	0.0	-58.97	427.03	8.04	-50.93
CC(C)C[C@H]([NH2+]CC1=CSC2=CC=CC=C12)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096156	0	54	0.0	-63.07	420.45	10.42	-52.65
CC(C)C[C@H]([NH2+]CC1=CC2=CC=CC=C2OC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096157	0	57	0.0	-57.19	431.48	9.17	-48.02
CC1=CC=C(C2=NNC=C2C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)O1	REAL300012096158	0	58	0.0	-59.02	447.41	8.06	-50.96
CC(C)C[C@H]([NH2+]CC1=CNN=C1C1=CC=CN=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096159	0	57	0.0	-67.39	422.83	6.55	-60.84
CC(C)C[C@H]([NH2+]CC1=CC=C(Cl)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096160	0	48	0.0	-57.28	396.36	8.61	-48.67
CC(C)C[C@H]([NH2+]CC1=CC=CC2=CC=CN=C21)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096161	0	56	0.0	-57.69	414.86	9.97	-47.72
CC(C)C[C@H]([NH2+]CC1=CC=C(N2C=CC=N2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096162	0	58	0.0	-66.03	445.05	10.14	-55.89
CC(C)C[C@H]([NH2+]CC1=CC=C(N2C=NC=N2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096163	0	57	0.0	-68.55	439.56	11.48	-57.07
CCC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)O1	REAL300012096164	0	54	0.0	-59.18	410.30	8.35	-50.83
CC(C)C[C@H]([NH2+]CC1=CC(F)=CC=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096165	1	51	0.0	-52.83	400.96	8.98	-43.85
CC(C)C[C@H]([NH2+]CC1=CC=C(F)C=C1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096166	0	51	0.0	-50.30	408.16	9.40	-40.90
CC(C)C[C@H]([NH2+]CC1=CC=C(F)C(Cl)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096167	0	51	0.0	-66.14	406.21	9.51	-56.63
CCOC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096168	0	58	0.0	-57.23	436.29	9.19	-48.04
CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300012096169	0	54	0.0	-63.45	407.17	9.37	-54.08
CC(C)C[C@H]([NH2+]CC1=CC(Cl)=CC=C1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096170	0	51	0.0	-50.53	418.47	9.83	-40.70
CC(C)C[C@H]([NH2+]CC1=CC(F)=C(F)C(F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096171	0	51	0.0	-62.83	404.42	8.87	-53.96
CC(C)C[C@H]([NH2+]CC1=CC2=CC=CC=C2S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096172	0	54	0.0	-63.21	421.60	10.53	-52.68
CC(C)C[C@H]([NH2+]CC1=CC=C(Cl)C(F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096173	0	51	0.0	-66.31	406.20	9.52	-56.79
CC(C)C[C@H]([NH2+]CC1=CC=CN=C1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096174	1	50	0.0	-62.35	391.76	7.52	-54.83
CC(C)C[C@H]([NH2+]CC1=CN(C)N=C1C(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096175	0	60	0.0	-63.30	442.52	8.57	-54.73
COCCOC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096176	0	62	0.0	-58.46	469.91	8.47	-49.99
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300012096177	0	55	0.0	-58.39	436.63	8.69	-49.70
CC(C)C[C@H]([NH2+]CC1=CC=CC2=C1OCCO2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096178	0	57	0.0	-53.77	434.09	8.05	-45.72
CC(C)C[C@H]([NH2+]CC1=CC=CC2=C1OCCCO2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096179	0	60	0.0	-56.77	444.99	9.01	-47.76
CCCOC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096180	0	61	0.0	-55.87	463.96	9.87	-46.00
CC(C)C[C@H]([NH2+]CC1=CC=CC(OC(C)C)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096181	0	61	0.0	-56.29	458.48	9.73	-46.56
CC(C)C[C@H]([NH2+]CC1=CSC(C(C)C)=N1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096182	1	56	0.0	-58.49	432.61	7.89	-50.60
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)OC=C1	REAL300012096184	0	51	0.0	-59.00	386.03	7.75	-51.25
CC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CN=C1Cl	REAL300012096185	0	53	0.0	-59.67	416.58	7.84	-51.83
CC(C)C[C@H]([NH2+]CC1=CC=C(F)C2=CC=CN=C12)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096186	0	56	0.0	-61.15	420.47	10.00	-51.15
CC(C)C[C@H]([NH2+]CC1=CC(F)=CC2=CC=CN=C21)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096187	0	56	0.0	-56.32	430.45	9.53	-46.79
COC1=CC=C2OC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC2=C1	REAL300012096188	0	58	0.0	-65.69	440.54	8.84	-56.85
CC(C)C[C@H]([NH2+]CC=CC1=CC=C(Cl)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096189	0	55	0.0	-57.83	436.86	10.70	-47.13
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC=C2O1	REAL300012096190	0	57	0.0	-59.06	434.35	9.74	-49.32
CC(C)C[C@H]([NH2+]CC1=COC2=CC=CC=C12)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096191	0	54	0.0	-62.69	397.97	8.73	-53.96
CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)N=C1	REAL300012096192	0	53	0.0	-59.99	402.36	7.77	-52.22
CC(C)C[C@H]([NH2+]CC=CC1=CC=C(F)C=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096193	0	55	0.0	-61.06	426.57	10.36	-50.70
CC(C)C[C@H]([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096194	1	58	0.0	-64.36	442.13	9.88	-54.48
CC(C)C[C@H]([NH2+]CC1=C(Cl)SC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096195	1	48	0.0	-54.68	389.11	8.25	-46.43
CC(C)C[C@H]([NH2+]CC1=CC(Cl)=CC2=C1OCC2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096196	0	56	0.0	-54.92	443.61	9.17	-45.75
CC(C)C[C@H]([NH2+]CC1=CC2=C(F)C=CC=C2N1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096197	0	55	0.0	-68.71	422.23	8.97	-59.74
CC(C)C[C@H]([NH2+]CC1=CC2=CC=C(F)C=C2N1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096198	0	55	0.0	-65.92	425.26	8.94	-56.98
CCOC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300012096199	0	57	0.0	-63.43	429.89	6.26	-57.17
CC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC2=CC=CN=C12	REAL300012096200	0	59	0.0	-60.43	447.41	9.80	-50.63
CC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1Cl	REAL300012096201	0	54	0.0	-57.26	424.64	9.99	-47.27
CC(C)C[C@H]([NH2+]CC1=CN=C2C=CSC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096202	0	53	0.0	-66.39	414.42	8.63	-57.76
CCCC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096203	0	60	0.0	-56.53	450.56	10.83	-45.70
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C#N	REAL300012096204	0	56	0.0	-62.12	435.21	8.39	-53.73
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096205	0	57	0.0	-58.09	433.81	10.59	-47.50
CCOC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)N=C1	REAL300012096206	0	57	0.0	-60.05	431.91	7.05	-53.00
C=CCOC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096207	0	59	0.0	-57.78	448.79	9.73	-48.05
CC1=CC(C)=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300012096208	0	60	0.0	-54.72	444.31	10.65	-44.07
CC(C)C[C@H]([NH2+]CC(C)(C)C1=CC=CC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096209	0	60	0.0	-57.90	425.91	10.42	-47.48
CC(C)C[C@H]([NH2+]CC1CCC(C)CC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096210	0	60	0.0	-59.50	425.13	9.71	-49.79
CC(C)C[C@H]([NH2+]CC(C)CCC1=CC=CC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096211	0	63	0.0	-58.96	459.82	11.69	-47.27
CCC1CCCC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C1	REAL300012096212	0	63	0.0	-58.84	435.78	10.09	-48.75
CCC1=CC=CC(Cl)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096213	0	57	0.0	-54.16	432.26	10.73	-43.43
CC1=C(C)C=C2OC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC2=C1	REAL300012096214	0	60	0.0	-62.42	453.06	10.36	-52.06
CCCC1CCC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300012096215	0	66	0.0	-57.03	470.84	11.24	-45.79
CC(C)C[C@H]([NH2+]CC1CCCCC1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096216	0	60	0.0	-58.53	411.05	9.23	-49.30
CC(C)C[C@H]([NH2+]CC1=CC=C(N2C=CN=C2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096217	0	58	0.0	-68.93	439.04	11.36	-57.57
COC1=CC=C(C)C=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096218	0	58	0.0	-50.94	435.11	8.70	-42.24
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300012096219	0	55	0.0	-59.73	426.83	8.22	-51.51
CC(C)C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096220	0	60	0.0	-61.14	444.46	9.87	-51.27
CC(C)C[C@H]([NH2+]CC1CCOC(C(C)C)C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096221	0	64	0.0	-57.15	449.61	8.53	-48.62
CC(C)C[C@H]([NH2+]CC1CCC(C)(C)CC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096222	0	63	0.0	-56.60	438.79	10.18	-46.42
CCSC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096223	0	58	0.0	-57.16	446.61	10.82	-46.34
CC(C)C[C@H]([NH2+]CC1=C(O)C=CC(Cl)=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096224	1	52	0.0	-61.38	414.37	6.76	-54.62
COC1(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)CCCCC1	REAL300012096225	0	61	0.0	-52.59	430.46	8.20	-44.39
CCN1N=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC=C21	REAL300012096226	1	60	0.0	-58.04	460.85	9.66	-48.38
COCCC1(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)CCCCC1	REAL300012096227	0	67	0.0	-59.37	464.32	9.18	-50.19
CCCOC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096228	0	61	0.0	-59.00	457.74	9.99	-49.01
CC(C)C[C@H]([NH2+]CC1=CC2=CC=CC=C2O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096229	0	54	0.0	-59.58	413.29	9.21	-50.37
CC(C)C[C@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096230	0	58	0.0	-62.03	451.35	10.76	-51.27
CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300012096231	0	56	0.0	-70.78	428.67	10.18	-60.60
CC(C)C[C@H]([NH2+]CC1=CC=C(OC(C)C)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096232	0	61	0.0	-55.85	455.21	9.58	-46.27
CC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1F	REAL300012096233	0	54	0.0	-59.62	412.88	9.31	-50.31
CC(C)C[C@H]([NH2+]CC1=C2NC=CC2=CC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096234	0	55	0.0	-59.05	416.35	8.95	-50.10
CC(C)CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096235	0	63	0.0	-56.54	467.31	11.29	-45.25
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300012096236	0	57	0.0	-71.84	439.14	9.68	-62.16
CC(C)C[C@H]([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096237	0	51	0.0	-65.44	419.59	9.98	-55.46
CC(C)C[C@H]([NH2+]CC1=CC(F)=CC(Cl)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096238	0	51	0.0	-65.22	406.22	9.56	-55.66
CC1=CC=CC(C)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096239	0	57	0.0	-59.18	418.61	10.00	-49.18
CC(C)C[C@H]([NH2+]CC1=CC(Br)=CO1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096240	1	48	0.0	-56.96	387.88	7.45	-49.51
CC(C)C[C@H]([NH2+]CC1=CC=CC(OC(F)F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096241	0	55	0.0	-63.01	424.45	8.42	-54.59
CC(C)C[C@H]([NH2+]CC1=CC=C(Cl)C=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096242	0	51	0.0	-52.68	408.28	9.16	-43.52
CC(C)C[C@H]([NH2+]CC1=CC(Cl)=CC=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096243	0	51	0.0	-60.02	407.26	9.47	-50.55
CC(C)C[C@H]([NH2+]CC1=CC(F)=CC(F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096244	0	51	0.0	-67.17	398.26	9.13	-58.04
CC(C)C[C@H]([NH2+]CC1=CC=CC(Cl)=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096245	0	51	0.0	-62.24	405.56	9.55	-52.69
CC(C)C[C@H]([NH2+]CC1=C(C2=CC=CC=C2)C=NN1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096246	0	58	0.0	-62.41	434.70	8.82	-53.59
CC(C)C[C@H]([NH2+]CC1=NNC=C1C1=CC=CC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096246	1	58	0.0	-58.30	440.56	8.95	-49.35
CC(C)C[C@H]([NH2+]CC1=CC=CC(F)=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096247	1	51	0.0	-66.72	388.37	8.61	-58.11
CC(C)C[C@H]([NH2+]CC1=NC2=CC=CC=C2N1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096248	1	57	0.0	-66.77	432.04	9.33	-57.44
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300012096249	0	54	0.0	-65.64	406.25	5.44	-60.20
CC(C)C[C@H]([NH2+]CC1=CC=C2OCCC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096250	0	56	0.0	-63.09	411.20	8.39	-54.70
CC(C)C[C@H]([NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096251	0	61	0.0	-59.51	459.15	12.37	-47.14
CC(C)C[C@H]([NH2+]CC1=CC=C(N2CCCC2)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096252	0	62	0.0	-64.86	449.42	8.46	-56.40
CC(C)C[C@H]([NH2+]CC1=C2C=CNC2=CC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096253	0	55	0.0	-59.43	407.48	8.82	-50.61
CC1=CC(F)=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096254	0	54	0.0	-60.07	405.86	9.57	-50.50
CC1=NC(C)=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300012096255	0	53	0.0	-60.86	408.31	7.60	-53.26
CC(C)C[C@H]([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096256	0	60	0.0	-63.40	462.82	10.72	-52.68
CC(C)C[C@H]([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096257	0	60	0.0	-63.35	455.17	10.59	-52.76
CC(C)C[C@H]([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096258	0	60	0.0	-59.71	454.83	10.34	-49.37
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096259	0	66	0.0	-57.75	483.04	9.42	-48.33
CNC(=O)C1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096260	0	58	0.0	-68.39	441.65	7.12	-61.27
CC(C)C[C@H]([NH2+]CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096261	0	57	0.0	-57.22	435.30	11.14	-46.08
COC1=C2OC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC2=CC=C1	REAL300012096262	0	58	0.0	-68.08	442.37	8.75	-59.33
COC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC(OC)=C1	REAL300012096263	0	59	0.0	-56.52	448.08	7.49	-49.03
CC(C)C[C@H]([NH2+]CC1=CC2=CC=CC=C2NC1=O)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096265	0	57	0.0	-65.71	434.55	8.04	-57.67
COC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1SC	REAL300012096266	0	59	0.0	-60.26	455.08	8.95	-51.31
CC(C)C[C@H]([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096267	0	58	0.0	-69.87	437.67	8.47	-61.40
CC(C)C[C@H]([NH2+]CC1=CC=C2C(=C1)N=CN2C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096269	0	57	0.0	-64.55	431.47	10.33	-54.22
CCN1N=C(C)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300012096270	0	60	0.0	-64.93	447.50	8.54	-56.39
CC(C)C[C@H]([NH2+]CC1=CC=C2OC(C)(C)CC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096271	0	62	0.0	-62.23	461.44	10.23	-52.00
CC(C)C[C@H]([NH2+]CC1=COC(C2=CC=CC=C2)=N1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096272	1	57	0.0	-63.71	440.67	7.33	-56.38
CC1=CC=C(F)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096273	0	54	0.0	-55.69	411.54	9.40	-46.29
CC1=CC=C(F)C=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096274	0	54	0.0	-62.49	405.15	9.77	-52.72
CC1=NC=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096275	0	53	0.0	-61.52	395.89	7.72	-53.80
CC(C)COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096276	0	64	0.0	-60.38	479.76	10.65	-49.73
COCCOC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096277	0	62	0.0	-59.55	475.99	8.35	-51.20
CC(C)C[C@H]([NH2+]CC1CCCC(C)(C)C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096278	0	63	0.0	-58.15	446.25	10.08	-48.07
CC1=CCCC(C)C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096279	0	61	0.0	-53.65	433.95	10.36	-43.29
COC1=CC2=C(C=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)OCO2	REAL300012096280	0	58	0.0	-57.53	445.33	6.84	-50.69
CC(C)C[C@H]([NH2+]CC1=CN=CC2=CC=CC=C21)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096281	0	56	0.0	-64.96	417.25	9.30	-55.66
CC(C)COC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096282	0	64	0.0	-54.17	482.14	10.60	-43.57
CC1=CC(Cl)=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096283	0	54	0.0	-55.85	417.03	9.81	-46.04
CC(C)C[C@H]([NH2+]CC=CC1=CC=C(F)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096284	0	55	0.0	-63.64	421.66	10.35	-53.29
CC(C)C[C@H]([NH2+]CC1=CC=C(Cl)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096285	0	50	0.0	-68.24	387.23	7.19	-61.05
CC(C)C[C@H]([NH2+]CC1=CC=C2C(=C1)N=NN2C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096286	0	56	0.0	-73.59	427.17	7.47	-66.12
CC(C)C[C@H]([NH2+]CC1CCCCCC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096287	0	60	0.0	-55.93	416.59	9.72	-46.21
CC(C)C[C@H]([NH2+]CC1=CC=CC2=C1OC(C)(C)C2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096288	0	62	0.0	-56.51	461.36	10.22	-46.29
COC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300012096289	0	54	0.0	-63.51	403.13	5.10	-58.41
CC(C)C[C@H]([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096290	0	58	0.0	-66.39	444.59	9.80	-56.59
CC(C)C[C@H]([NH2+]CC1=CN(C(C)C)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096291	0	57	0.0	-64.64	429.15	8.15	-56.49
CC1=NC2=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2C=C1	REAL300012096292	0	59	0.0	-66.55	448.65	9.92	-56.63
CC(C)C[C@H]([NH2+]CC1=NC=CC=C1C(F)(F)F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096293	1	53	0.0	-56.05	396.69	7.18	-48.87
CC(C)C[C@H]([NH2+]CC1=CC2=CC(F)=CC=C2O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096294	0	54	0.0	-61.47	420.37	9.21	-52.26
COCC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096295	0	58	0.0	-58.02	441.24	8.34	-49.68
CCCCOC1=CC=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096296	0	64	0.0	-51.09	478.90	10.49	-40.60
COC1=CC(C)=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1OC	REAL300012096297	0	62	0.0	-63.05	458.72	8.64	-54.41
CC(C)C[C@H]([NH2+]CC1=CNN=C1C1=CSC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096298	0	55	0.0	-60.55	423.77	8.06	-52.49
CC(C)C[C@H]([NH2+]CC1=NC2=C(CC(C)CC2)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096299	1	60	0.0	-51.49	454.74	9.04	-42.45
CC(C)C[C@H]([NH2+]CC1CCC(C(C)(C)C)CC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096300	0	69	0.0	-56.30	466.23	11.03	-45.27
CC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C(C)O1	REAL300012096301	0	54	0.0	-57.29	405.64	8.52	-48.77
CC(C)C[C@H]([NH2+]CC1=CC=C(OCC2CC2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096302	0	62	0.0	-59.58	467.55	10.73	-48.85
CC(C)CC1=NC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300012096303	0	59	0.0	-60.30	448.71	9.00	-51.30
CC(C)C[C@H]([NH2+]CC1=C(Cl)OC2=CC=CC=C21)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096304	0	54	0.0	-56.54	433.31	9.84	-46.70
COCCOC1=CC=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096305	0	62	0.0	-55.71	466.71	8.55	-47.16
CC(C)C[C@H]([NH2+]CC1=NC2=C(CCC2)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096306	1	54	0.0	-58.26	408.28	7.77	-50.49
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096307	0	55	0.0	-56.21	414.92	7.98	-48.23
CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)O1	REAL300012096308	0	51	0.0	-56.41	391.75	7.84	-48.57
CC(C)C[C@H]([NH2+]CC1=CC=CC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096309	0	51	0.0	-59.04	374.87	8.50	-50.54
CC(C)C[C@H]([NH2+]CC1=CN=C(C(C)(C)C)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096310	0	59	0.0	-59.61	453.44	8.74	-50.87
CC(C)C[C@H]([NH2+]CC1=CC=C2OCCOC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096311	0	57	0.0	-57.71	430.00	7.83	-49.88
CC(C)C[C@H]([NH2+]CC1=CC=CC(Br)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096312	0	51	0.0	-60.12	406.49	9.46	-50.66
CC(C)C[C@H]([NH2+]CC1=CC=CC(Cl)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096313	0	51	0.0	-60.16	401.93	9.35	-50.81
CC(C)C[C@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096314	0	58	0.0	-64.89	443.04	10.21	-54.68
CC(C)C[C@H]([NH2+]CC1=CN(C(C)(C)C)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096315	0	60	0.0	-62.62	448.89	8.78	-53.84
CC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC(C)=C1	REAL300012096316	0	57	0.0	-57.35	426.84	10.30	-47.05
CC(C)C[C@H]([NH2+]CC1=CC=C(CO)O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096317	1	52	0.0	-62.78	400.02	4.58	-58.20
CC(C)C[C@H]([NH2+]CC1=CC=CS1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096318	0	48	0.0	-54.98	379.31	7.99	-46.99
CC(=O)NC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096319	0	58	0.0	-63.77	441.26	7.73	-56.04
CC(C)C[C@H]([NH2+]CC1=CC=CC=C1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096320	0	51	0.0	-59.81	396.11	9.47	-50.34
CC(C)C[C@H]([NH2+]CC1=CC=CC([N+](=O)[O-])=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096321	0	53	0.0	-68.97	413.41	9.51	-59.46
CC(C)C[C@H]([NH2+]CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096322	0	53	0.0	-73.89	414.16	9.62	-64.27
CC(C)C[C@H]([NH2+]CC1=CC=CC2=CC=CC=C21)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096323	0	57	0.0	-55.32	427.12	10.75	-44.57
CC(C)C[C@H]([NH2+]CC1=CC=C(N(C)C)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096324	0	59	0.0	-55.53	439.99	9.27	-46.26
CCN(CC)C1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096325	0	65	0.0	-57.48	480.31	11.15	-46.33
CC(C)C[C@H]([NH2+]CC1=CC=C(Br)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096326	0	51	0.0	-62.19	406.46	9.47	-52.72
CC(C)C[C@H]([NH2+]CC1=CC=C(Cl)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096327	0	51	0.0	-62.09	401.90	9.36	-52.73
CC(C)C[C@H]([NH2+]CC1=C(F)C=CC=C1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096328	1	51	0.0	-54.71	393.56	8.83	-45.88
CC(C)C[C@H]([NH2+]CC1=CC=C(F)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096329	0	51	0.0	-57.43	395.50	8.96	-48.47
CC(C)C[C@H]([NH2+]CC1=CC=CC=C1OC(F)F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096330	0	55	0.0	-59.92	419.75	8.70	-51.22
COC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1OC	REAL300012096331	0	59	0.0	-60.57	444.16	8.36	-52.21
CC(C)C[C@H]([NH2+]CC1=CC=C(Cl)C=C1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096332	0	51	0.0	-51.07	415.46	9.57	-41.50
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1OC	REAL300012096333	0	59	0.0	-65.21	444.69	8.15	-57.06
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(OC)=C1	REAL300012096334	0	59	0.0	-57.76	440.15	7.70	-50.06
CC(C)C[C@H]([NH2+]CC1=CC=C(C(F)(F)F)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096335	0	54	0.0	-60.16	429.74	9.84	-50.32
CC(C)C[C@H]([NH2+]CC1=CC=C(F)C=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096336	0	51	0.0	-62.15	395.75	9.03	-53.12
CC(C)C[C@H]([NH2+]CC1=CC=CC(Cl)=C1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096337	0	51	0.0	-63.78	409.47	9.67	-54.11
CC(C)C[C@H]([NH2+]CC1=CC=C(Cl)C(Cl)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096338	0	51	0.0	-66.35	416.20	9.85	-56.50
CC(C)C[C@H]([NH2+]CC1CC=CCC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096339	0	55	0.0	-56.31	397.28	9.25	-47.06
CC(C)C[C@H]([NH2+]CC1=CC=C(OC(F)F)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096340	0	55	0.0	-63.11	422.87	8.53	-54.58
CC(C)C[C@H]([NH2+]CC1=CC=CC=C1C(F)(F)F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096341	0	54	0.0	-51.82	411.74	9.92	-41.90
CCCCOC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096342	0	64	0.0	-58.96	479.23	10.77	-48.19
COC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096343	0	55	0.0	-56.39	420.61	8.14	-48.25
CC(=CC1=CC=CC=C1)C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096344	0	58	0.0	-59.29	431.80	10.61	-48.68
CCOC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1OC	REAL300012096345	0	62	0.0	-62.05	471.70	8.95	-53.10
CC(C)C[C@H]([NH2+]CC1=CC=C(C(C)C)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096346	0	60	0.0	-55.29	445.73	10.61	-44.68
CC(C)C[C@H]([NH2+]CC1=CC=CC(C(F)(F)F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096347	0	54	0.0	-55.92	428.24	9.91	-46.01
CCOC1=CC=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096348	0	58	0.0	-51.40	436.25	8.89	-42.51
CCOC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096349	0	58	0.0	-60.76	438.16	9.16	-51.60
CC(C)C[C@H]([NH2+]CC1=CC=CC=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096350	0	51	0.0	-59.49	385.44	8.87	-50.62
CC(C)C[C@H]([NH2+]CC1=CC=CC(F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096351	0	51	0.0	-61.06	393.26	8.99	-52.07
COC1=CC=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096352	0	55	0.0	-51.60	414.03	7.99	-43.61
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)SC=C1	REAL300012096353	0	51	0.0	-56.82	395.91	8.58	-48.24
CC(C)C[C@H]([NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096354	0	61	0.0	-59.10	465.31	12.25	-46.85
CC1=CC=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096355	0	54	0.0	-57.35	399.52	9.43	-47.92
CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096356	0	54	0.0	-58.12	406.57	9.52	-48.60
CC(C)C[C@H]([NH2+]CC1=CC=C(C#N)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096357	0	52	0.0	-62.14	406.27	9.08	-53.06
CSC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096358	0	55	0.0	-57.23	426.30	9.64	-47.59
CC(C)C[C@H]([NH2+]CC1=C(Cl)C=CC=C1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096359	1	51	0.0	-51.74	411.93	9.81	-41.93
CC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096360	0	54	0.0	-55.08	406.91	9.34	-45.74
CC(C)C[C@H]([NH2+]CC1=CSC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096361	0	48	0.0	-54.24	379.07	7.83	-46.41
CCC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096362	0	57	0.0	-56.80	433.99	10.28	-46.52
CC1=CC(C)=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300012096363	0	60	0.0	-55.04	438.38	10.68	-44.36
CC(C)C[C@H]([NH2+]CC1=C(F)C=CC=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096364	1	51	0.0	-54.49	396.69	8.66	-45.83
CC(C)C[C@H]([NH2+]CC1=CC=C(F)C(F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096365	0	51	0.0	-63.96	398.22	8.80	-55.16
CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300012096366	0	51	0.0	-58.21	392.17	8.66	-49.55
CC(C)C[C@H]([NH2+]CC1=CC=CC=C1Br)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096367	1	51	0.0	-59.35	399.66	9.58	-49.77
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1O	REAL300012096368	0	56	0.0	-59.11	425.76	5.81	-53.30
CC1=NN(C)C(C)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096369	0	57	0.0	-60.01	431.87	7.59	-52.42
CC1=NN(C)C(Cl)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096370	1	54	0.0	-59.15	421.35	7.66	-51.49
CCC1=NN(C)C=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096371	0	57	0.0	-60.44	428.71	8.01	-52.43
CC(C)C[C@H]([NH2+]CC1=CN(CC(F)(F)F)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096372	0	54	0.0	-67.40	428.17	8.11	-59.29
CC(C)C[C@H]([NH2+]CC1=CN(C)N=C1C(C)(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096373	0	63	0.0	-63.35	456.61	9.14	-54.21
CC(C)C[C@H]([NH2+]CC1=CC=CN=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096374	0	50	0.0	-63.93	370.88	6.69	-57.24
CC(C)C[C@H]([NH2+]CC1=CC=CO1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096375	0	48	0.0	-57.68	366.25	6.83	-50.85
CC(C)C[C@H]([NH2+]CC1=CC=NC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096376	0	50	0.0	-59.32	380.94	6.85	-52.47
CC(C)C[C@H]([NH2+]CC1=CC=C(Cl)O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096377	1	48	0.0	-63.69	381.00	7.78	-55.91
CCOC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1OC	REAL300012096378	0	62	0.0	-60.58	455.83	8.91	-51.67
C#CCOC1=CC=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096379	0	57	0.0	-50.48	444.69	9.73	-40.75
CC1=NOC(C)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096380	0	53	0.0	-60.17	406.70	7.71	-52.46
CC1=NC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CS1	REAL300012096381	1	50	0.0	-60.45	383.77	6.22	-54.23
COC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC2=C1OCO2	REAL300012096382	0	58	0.0	-69.00	439.61	6.92	-62.08
CC(C)C[C@H]([NH2+]CC1=CN(C)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096384	0	51	0.0	-58.14	393.91	6.66	-51.48
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300012096385	0	58	0.0	-56.74	435.08	8.72	-48.02
CC(C)C[C@H]([NH2+]CC1=CNN=C1C(C)(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096386	0	60	0.0	-63.31	441.61	7.61	-55.70
CC(C)C[C@H]([NH2+]CC1=NC=CN1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096387	1	48	0.0	-63.68	370.52	5.56	-58.12
COC1=CC=CC(OC)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096388	1	59	0.0	-51.64	441.72	7.40	-44.24
CC(C)C[C@H]([NH2+]CC1=NC=CN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096389	1	51	0.0	-61.64	383.49	7.14	-54.50
CC(C)C[C@H]([NH2+]CC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096390	0	53	0.0	-56.82	370.68	7.55	-49.27
COC1=CC=C(F)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096391	0	55	0.0	-59.78	417.30	8.34	-51.44
CSC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300012096392	0	52	0.0	-59.01	417.54	9.31	-49.70
CC(C)C[C@H]([NH2+]CC1=CC=CC2=C1OCO2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096393	0	54	0.0	-58.69	411.37	7.48	-51.21
CC(C)C[C@H]([NH2+]CC1=CN=CN=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096394	0	49	0.0	-59.33	375.05	6.69	-52.64
CC(C)C[C@H]([NH2+]CC1=C(Cl)C=CS1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096395	0	48	0.0	-54.14	382.55	8.24	-45.90
CC(C)C[C@H]([NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096396	0	57	0.0	-71.61	447.50	6.45	-65.16
COC1=CC=C(F)C=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096397	0	55	0.0	-59.61	418.39	8.46	-51.15
CC(C)C[C@H]([NH2+]CC1=NNC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096398	1	48	0.0	-59.25	365.98	5.01	-54.24
CC(C)C[C@H]([NH2+]CC1=CC=C(C(N)=O)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096399	0	55	0.0	-61.44	423.63	5.66	-55.78
COC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1F	REAL300012096400	0	55	0.0	-61.37	421.24	8.04	-53.33
COC1=CC=C(Cl)C=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096401	0	55	0.0	-57.24	426.80	8.95	-48.29
CC(C)C[C@H]([NH2+]CC1=CN=CS1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096402	0	47	0.0	-60.24	370.19	6.07	-54.17
CC(C)C[C@H]([NH2+]CC1=CN=CN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096403	0	51	0.0	-64.31	383.36	8.20	-56.11
COC(=O)C1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CN1C	REAL300012096404	0	58	0.0	-58.22	445.60	8.81	-49.41
CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300012096405	0	54	0.0	-60.09	420.55	9.96	-50.13
COC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1C	REAL300012096406	0	58	0.0	-59.12	434.25	9.04	-50.08
CC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1F	REAL300012096408	0	54	0.0	-55.95	410.18	9.55	-46.40
CC(C)C[C@H]([NH2+]CC1=CC=C(C#N)C=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096409	0	52	0.0	-66.22	409.50	9.43	-56.79
CC1=NNC(C)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096410	0	54	0.0	-61.93	404.56	6.40	-55.53
CC1=NNC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096411	0	51	0.0	-60.56	384.14	5.95	-54.61
CC(C)C[C@H]([NH2+]CC1=CC=NN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096412	0	51	0.0	-66.91	384.45	6.35	-60.56
C#CCCOC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096413	0	60	0.0	-58.39	464.72	10.17	-48.22
CC(C)C[C@H]([NH2+]CC1=CN2C=CC=CC2=N1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096414	1	54	0.0	-62.93	412.07	9.36	-53.57
CC1=NN(C)C2=NC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C12	REAL300012096415	0	59	0.0	-74.25	451.27	8.67	-65.58
CC(C)C[C@H]([NH2+]CC1=CSC(C2CC2)=N1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096416	1	54	0.0	-59.72	413.03	7.80	-51.92
CCC1=NC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CS1	REAL300012096417	1	53	0.0	-58.50	419.06	7.30	-51.20
CC(C)C[C@H]([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096418	1	54	0.0	-64.48	421.90	9.54	-54.94
CC1=NN(C)C=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096419	0	54	0.0	-64.67	400.39	6.86	-57.81
CCN1C=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300012096420	0	54	0.0	-60.38	408.38	7.65	-52.73
CC(C)C[C@H]([NH2+]CC1=CC=CC(C(N)=O)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096422	0	55	0.0	-62.96	419.74	5.61	-57.35
CC(C)C[C@H]([NH2+]CC1=NN(C)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096423	1	51	0.0	-60.76	393.96	6.55	-54.21
CC(C)C[C@H]([NH2+]CC1=NC=CN1CC(F)(F)F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096424	1	54	0.0	-66.46	423.28	8.10	-58.36
CC(C)C[C@H]([NH2+]CC1CCCCCCC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096425	0	63	0.0	-55.68	426.91	10.17	-45.51
CC1=CSC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300012096426	1	50	0.0	-57.64	387.89	6.53	-51.11
COC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1F	REAL300012096427	0	55	0.0	-59.84	408.53	7.87	-51.97
CC(C)C[C@H]([NH2+]CC1=CC=C2CCCC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096428	0	58	0.0	-60.74	426.44	10.62	-50.12
CC(C)COC1=CC=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096430	0	64	0.0	-56.05	475.38	10.84	-45.21
CCN1N=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096431	0	54	0.0	-65.34	402.67	7.47	-57.87
CC(C)C[C@H]([NH2+]CC1=NC2=C(CCCC2)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096432	1	57	0.0	-57.20	429.84	8.55	-48.65
CC(C)C[C@H]([NH2+]CC1=CC2=CC=NC=C2C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096433	0	56	0.0	-62.56	432.10	9.32	-53.24
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)SC=N1	REAL300012096434	0	50	0.0	-60.86	377.62	6.33	-54.53
COC1=CC(F)=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096435	0	55	0.0	-61.83	419.54	8.31	-53.52
CC(C)C[C@H]([NH2+]CC1=CN=C(C(C)(C)C)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096436	0	61	0.0	-65.57	457.02	8.79	-56.78
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=CS1	REAL300012096437	0	51	0.0	-60.06	391.58	8.70	-51.36
CC(C)C[C@H]([NH2+]CC1=CC=C(S(C)=O)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096438	0	56	0.0	-69.48	437.38	7.44	-62.04
CC(C)C[C@H]([NH2+]CC1=CC=C2CCCCC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096439	0	61	0.0	-60.97	447.69	11.43	-49.54
CC(C)C[C@H]([NH2+]CC1=CC=CC(C#N)=N1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096440	1	51	0.0	-68.85	399.93	7.48	-61.37
COC(=O)C1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CN1	REAL300012096441	0	55	0.0	-70.39	426.65	7.38	-63.01
COCC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)O1	REAL300012096442	1	55	0.0	-61.88	420.61	6.90	-54.98
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1OC	REAL300012096443	0	62	0.0	-60.80	458.90	9.06	-51.74
CC(C)C[C@H]([NH2+]CC1=CSC(Cl)=C1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096444	1	48	0.0	-49.82	406.37	8.68	-41.14
CC1=NC(F)=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096445	0	53	0.0	-68.18	401.44	8.03	-60.15
COC1=CC(C)=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096446	0	58	0.0	-50.29	438.53	8.92	-41.37
CC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CS1	REAL300012096447	0	51	0.0	-55.23	401.04	8.63	-46.60
CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)N=N1	REAL300012096448	1	52	0.0	-65.52	395.55	6.70	-58.82
CC(C)C[C@H]([NH2+]CC1=CN=C(C(F)(F)F)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096449	1	50	0.0	-69.03	403.42	6.91	-62.12
CC(C)C[C@H]([NH2+]CC1=CN=NN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096450	1	50	0.0	-70.51	378.96	5.36	-65.15
CC(C)C[C@H]([NH2+]CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096451	0	57	0.0	-62.23	451.79	6.36	-55.87
CC(C)C[C@H]([NH2+]CC1=CC(Cl)=CS1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096452	0	48	0.0	-61.82	393.24	8.58	-53.24
CC(C)C[C@H]([NH2+]CC1=CC=C(C2CCCC2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096453	0	64	0.0	-55.39	469.05	11.88	-43.51
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)N(C)N=C1	REAL300012096454	0	54	0.0	-66.03	403.77	7.22	-58.81
CC1=CC(Cl)=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096455	0	54	0.0	-62.69	421.98	10.12	-52.57
COCC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096456	0	58	0.0	-58.78	439.94	8.70	-50.08
CC(C)C[C@H]([NH2+]CC1=NC=CN1C1=CC=CC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096457	1	58	0.0	-56.13	435.13	10.44	-45.69
CC(C)C[C@H]([NH2+]CC1=CC=C(C2CC2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096458	0	58	0.0	-61.33	434.25	11.05	-50.28
C=CN1C=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300012096460	0	52	0.0	-63.56	405.70	7.84	-55.72
CC(C)C[C@H]([NH2+]CC1=CC=NN1C1CCCC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096461	0	61	0.0	-63.94	448.45	9.51	-54.43
CC(C)C[C@H]([NH2+]CC1=CC=C(C(F)F)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096462	0	54	0.0	-62.82	419.33	9.77	-53.05
COC1=CC(C)=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=N1	REAL300012096463	0	60	0.0	-58.02	445.97	6.34	-51.68
COC1=CC=CC(Cl)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096464	1	55	0.0	-53.02	427.20	8.70	-44.32
CCC1=CC(OC)=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096465	0	61	0.0	-57.66	447.84	9.51	-48.15
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=NN1C	REAL300012096466	0	54	0.0	-63.02	401.85	7.28	-55.74
CCCN1N=C(C)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300012096467	0	63	0.0	-59.74	475.17	9.21	-50.53
CC(C)C[C@H]([NH2+]CC1=CN=C(C2CC2)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096468	0	56	0.0	-60.48	428.07	8.27	-52.21
COCCN1C=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300012096469	0	58	0.0	-58.91	449.11	6.58	-52.33
CC(C)C[C@H]([NH2+]CC1=CC=C(C2CCC2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096470	0	61	0.0	-54.18	454.87	11.47	-42.71
CCOC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300012096471	0	58	0.0	-65.78	442.01	9.23	-56.55
CC(C)C[C@H]([NH2+]CC1=CC(C#N)=CS1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096472	0	49	0.0	-59.81	400.35	8.41	-51.40
COC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1C#N	REAL300012096473	0	56	0.0	-65.37	438.89	8.60	-56.77
CC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1C#N	REAL300012096475	0	55	0.0	-63.95	426.18	9.50	-54.45
CC1=CN=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300012096476	1	50	0.0	-56.31	391.26	6.82	-49.49
CC(C)C[C@H]([NH2+]CC1=CN(CC(C)C)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096477	0	60	0.0	-63.42	443.59	8.75	-54.67
CC(C)C[C@H]([NH2+]CC1=CC=CC=C1C1CC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096478	0	58	0.0	-59.37	423.82	11.09	-48.28
CCC1=CN=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300012096479	1	53	0.0	-58.64	411.41	7.48	-51.16
CC1=NN(C(C)C)C=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096480	0	60	0.0	-63.21	446.09	8.82	-54.39
CC(C)C[C@H]([NH2+]CC1=CN=C(C2CCCC2)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096481	0	60	0.0	-61.95	454.68	9.42	-52.53
CC(C)C[C@H]([NH2+]CC1=CN=C(C2CC2)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096482	0	54	0.0	-60.87	418.22	8.39	-52.48
CC(C)C[C@H]([NH2+]CC1=CN=C(C(C)C)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096483	0	56	0.0	-62.01	431.75	8.09	-53.92
CC(C)C[C@H]([NH2+]CC1=CN=C(C2=CC=CO2)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096484	0	54	0.0	-64.96	424.33	7.66	-57.30
CC(C)C[C@H]([NH2+]CC1=CN(CC(F)F)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096485	0	54	0.0	-63.26	420.95	7.90	-55.36
CC(C)C[C@H]([NH2+]CC1=CC=C(C(=O)N(C)C)N1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096486	0	59	0.0	-74.29	441.43	7.16	-67.13
CC(C)C[C@H]([NH2+]CC1=CC(C(N)=O)=CS1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096487	0	52	0.0	-58.48	415.43	4.75	-53.73
CCC1=NN(C)C(CC)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096488	0	63	0.0	-62.77	460.26	9.25	-53.52
CC(C)C[C@H]([NH2+]CC1=CN=C(C2CCC2)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096489	0	57	0.0	-61.93	436.79	8.83	-53.10
CC(C)C[C@H]([NH2+]CC1=CN=C(C2CCCO2)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096490	0	58	0.0	-63.42	444.08	7.01	-56.41
CCOC1=C(Cl)C=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096491	0	58	0.0	-56.92	452.10	9.90	-47.02
CCC1=CC=CC(F)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096492	0	57	0.0	-54.07	422.61	10.38	-43.69
CC(C)C[C@H]([NH2+]CC1=NN(C(F)F)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096493	1	51	0.0	-62.97	400.52	6.78	-56.19
CC(C)C[C@H]([NH2+]CC1=NC=C(C(C)C)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096494	1	56	0.0	-56.10	434.04	8.27	-47.83
CC(C)C[C@H]([NH2+]CC1=NC=C(C(C)(C)C)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096495	1	59	0.0	-58.38	449.57	8.55	-49.83
CC(C)C[C@H]([NH2+]CC1=C(C2CC2)N=CS1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096496	0	54	0.0	-60.02	419.67	8.29	-51.73
COC(=O)C1=C(C)N(C)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096497	0	61	0.0	-67.23	463.99	9.46	-57.77
COCCCN1N=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096498	0	61	0.0	-68.71	457.84	7.30	-61.41
CC1=CC(F)=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(Cl)=C1	REAL300012096499	1	54	0.0	-50.87	426.18	9.78	-41.09
CSCC1=CN=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300012096500	1	54	0.0	-56.40	435.31	8.11	-48.29
CC(C)C[C@H]([NH2+]CC1=CSC=C1C(F)(F)F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096501	0	51	0.0	-52.71	404.24	8.88	-43.83
CC(C)C[C@H]([NH2+]CC1=CC=CC(C2CC2)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096503	0	58	0.0	-60.70	432.42	11.15	-49.55
CC1=NN(C)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096504	0	54	0.0	-66.83	406.77	7.14	-59.69
CC(C)C[C@H]([NH2+]CC1=CC=C(C#N)C(F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096505	0	52	0.0	-72.77	411.04	9.31	-63.46
CC1=CC(F)=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300012096506	1	54	0.0	-54.45	415.12	9.70	-44.75
CC(C)C[C@H]([NH2+]CC1=CC=NN1CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096507	0	60	0.0	-63.26	440.66	9.08	-54.18
COC(=O)C1=C(C)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CN1	REAL300012096508	0	58	0.0	-67.23	438.53	7.98	-59.25
CC(C)C[C@H]([NH2+]CC1=CC=C(C(C)(C)C#N)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096509	0	61	0.0	-62.67	467.71	10.80	-51.87
CC(C)C[C@H]([NH2+]CC1=CC=CC=C1C(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096510	0	60	0.0	-58.47	427.26	10.42	-48.05
CC(C)C[C@H]([NH2+]CC1=NN2CCCCC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096511	1	58	0.0	-59.11	430.51	8.32	-50.79
CC(C)C[C@H]([NH2+]CC1=CN=NN1C1=CC=CC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096512	0	57	0.0	-68.61	432.92	8.64	-59.97
CC(C)C[C@H]([NH2+]CC1=CC2=CN=CC=C2O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096513	0	53	0.0	-67.17	405.69	7.77	-59.40
COC1=CC(OC)=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300012096514	0	59	0.0	-63.41	434.25	7.57	-55.84
COC1=CC(F)=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1OC	REAL300012096515	0	59	0.0	-62.68	447.17	8.24	-54.44
CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(Cl)=C1	REAL300012096516	0	54	0.0	-56.72	418.26	10.10	-46.62
CCC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096517	0	57	0.0	-55.18	432.07	10.31	-44.87
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300012096518	0	55	0.0	-52.74	425.97	8.16	-44.58
CC(C)C[C@H]([NH2+]CC1=CC=CC2=C1CCC2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096519	0	58	0.0	-56.40	435.42	10.68	-45.72
COC1=CC=CC(F)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096520	1	55	0.0	-52.66	424.47	8.22	-44.44
CCCOC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300012096521	0	64	0.0	-56.33	473.81	10.25	-46.08
CC(C)C[C@H]([NH2+]CC1=CC2=CC=NC=C2S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096522	0	53	0.0	-65.72	408.71	8.34	-57.38
CC(C)C[C@H]([NH2+]CC1=C2CCCN2N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096523	0	55	0.0	-61.55	412.02	7.28	-54.27
CCC1=C2OC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC2=CC=C1	REAL300012096524	0	60	0.0	-63.84	453.96	10.98	-52.86
CC(C)C[C@H]([NH2+]CC1=CC=NN1CC1CC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096526	0	58	0.0	-62.58	433.69	9.04	-53.54
CC(C)C[C@H]([NH2+]CC1=CC=CC(OC2CC2)=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096527	0	59	0.0	-60.00	443.56	9.75	-50.25
CCOC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300012096528	0	61	0.0	-56.52	452.30	9.44	-47.08
COC1=NC=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096529	1	54	0.0	-59.69	407.17	5.76	-53.93
CC(C)C[C@H]([NH2+]CC1=CC=CC(C2CCCC2)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096530	0	64	0.0	-59.30	467.31	12.19	-47.11
COCC1=CSC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096531	0	55	0.0	-61.43	430.52	7.77	-53.66
CC(C)C[C@H]([NH2+]CC1=CSC(C(F)(F)F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096533	0	51	0.0	-61.07	419.79	9.02	-52.05
CC(C)C[C@H]([NH2+]CC1=CC=C(C(F)(F)F)O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096534	1	51	0.0	-66.27	405.00	8.34	-57.93
CC(C)C[C@H]([NH2+]CC1=C(C(F)(F)F)SC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096535	0	51	0.0	-61.29	397.21	8.63	-52.66
CC(C)C[C@H]([NH2+]CC1=CC=C(F)C(F)=C1N(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096536	0	59	0.0	-62.32	441.63	9.14	-53.18
CC(C)C[C@H]([NH2+]CC1=C(F)C=CC(F)=C1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096537	1	51	0.0	-55.94	409.27	9.37	-46.57
CC(C)C[C@H]([NH2+]CC1=CC(F)=C(N(C)C)C=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096538	0	59	0.0	-63.76	443.25	8.13	-55.63
CC(C)C[C@H]([NH2+]CC1=CC=C(F)C(F)=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096539	1	51	0.0	-72.32	401.45	9.17	-63.15
CCCN1N=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096540	0	57	0.0	-55.56	424.77	7.96	-47.60
CC(C)C[C@H]([NH2+]CC1=CC(C(F)(F)F)=NN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096541	0	54	0.0	-71.42	425.19	7.61	-63.81
CCCC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300012096542	0	57	0.0	-58.26	437.38	10.49	-47.77
CC(C)C[C@H]([NH2+]CC1=CC=CC(C(C)C)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096543	0	60	0.0	-56.77	444.75	10.83	-45.94
CC(C)C[C@H]([NH2+]CC1=CN(C)N=C1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096544	1	51	0.0	-64.37	402.98	7.16	-57.21
CC(C)C[C@H]([NH2+]CC1=CC=CC(CC2CCC2)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096545	0	64	0.0	-58.65	473.34	12.53	-46.12
COC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1Cl	REAL300012096546	0	55	0.0	-60.90	431.70	8.47	-52.43
CC(C)C[C@H]([NH2+]CC1=CC=NN1CC1CCC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096547	0	61	0.0	-63.74	453.05	9.39	-54.35
CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300012096548	0	54	0.0	-51.43	417.89	9.55	-41.88
CC(=O)NC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096549	0	58	0.0	-68.00	441.37	7.73	-60.27
CC(C)C[C@H]([NH2+]CC1=CN=C2C(=C1)C=NN2C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096550	0	56	0.0	-71.76	425.21	7.83	-63.93
CC(C)C[C@H]([NH2+]CC1=C2CCCCC2=NN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096551	0	61	0.0	-65.58	440.32	8.86	-56.72
CC1=C(C)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CS1	REAL300012096552	0	54	0.0	-59.54	403.34	9.35	-50.19
CC(C)C[C@H]([NH2+]CC1=CN=C(Cl)C(F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096553	0	50	0.0	-72.75	401.44	7.64	-65.11
CC(C)C[C@H]([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096554	0	57	0.0	-62.78	430.88	11.09	-51.69
CC(C)C[C@H]([NH2+]CC1=CC(F)=CC=C1OC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096555	0	61	0.0	-57.82	446.23	9.82	-48.00
CCOC1=CC(F)=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096556	0	58	0.0	-64.89	441.62	9.24	-55.65
CC(C)C[C@H]([NH2+]CC1=CC=CC(OC(C)(C)C)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096557	0	64	0.0	-58.25	468.18	10.07	-48.18
CC1=C(Cl)C=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096558	0	54	0.0	-61.97	412.83	10.01	-51.96
COC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C(F)C=C1C	REAL300012096559	0	58	0.0	-61.22	436.75	9.23	-51.99
CC(C)C[C@H]([NH2+]CC1=NC(C(C)(C)C)=CS1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096560	1	59	0.0	-58.89	443.89	8.26	-50.63
COCCC1=NC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300012096561	0	57	0.0	-64.51	446.06	6.78	-57.73
CC(C)C[C@H]([NH2+]CC1=CC(F)=CC(F)=C1O)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096562	1	52	0.0	-67.31	401.39	6.37	-60.94
CC(C)C[C@H]([NH2+]CC1=C2CSCCC2=NN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096563	0	59	0.0	-65.93	448.30	8.62	-57.31
CC(C)C[C@H]([NH2+]CC1=CC=CC2=C1CCOC2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096564	0	59	0.0	-54.47	432.19	8.64	-45.83
CC(C)C[C@H]([NH2+]CC1=CC=C2OC(=O)OC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096565	0	53	0.0	-77.97	412.75	9.49	-68.48
CC(C)C[C@H]([NH2+]CC1=CC=CC2=NC=CC=C12)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096566	0	56	0.0	-62.14	414.27	8.40	-53.74
CCCOC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300012096567	0	64	0.0	-56.43	478.43	10.45	-45.98
CC(C)C[C@H]([NH2+]CC1=CC2=NC=CN=C2C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096568	0	55	0.0	-63.88	425.22	7.30	-56.58
CCOC1=CC=CC(F)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096569	1	58	0.0	-53.54	444.53	9.19	-44.35
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=CC=C1[N+](=O)[O-]	REAL300012096570	0	56	0.0	-67.32	422.15	10.04	-57.28
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096571	0	59	0.0	-70.01	442.98	10.62	-59.39
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1OC	REAL300012096572	0	59	0.0	-63.74	446.74	8.00	-55.74
COC(=O)C1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300012096573	1	57	0.0	-65.55	443.45	9.70	-55.85
CC1=COC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096574	0	51	0.0	-56.12	391.74	7.70	-48.42
CC(C)C[C@H]([NH2+]CC1=CC=C(Cl)C=N1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096575	0	50	0.0	-62.01	397.89	7.28	-54.73
CC1=CC(C#N)=CC(C)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096576	0	58	0.0	-58.87	440.36	10.30	-48.57
CC(C)C[C@H]([NH2+]CC1=CN(CCF)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096578	0	54	0.0	-62.02	414.55	7.75	-54.27
CCCC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096580	0	60	0.0	-55.38	449.89	10.90	-44.48
CC1=C2C=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=NC2=NN1	REAL300012096581	0	56	0.0	-78.26	428.06	7.47	-70.79
CC(C)C[C@H]([NH2+]CC1=NC=CS1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096582	1	47	0.0	-57.96	362.44	5.75	-52.21
CC(C)C[C@H]([NH2+]CC1=NN(C)C2=CC=CC=C12)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096583	1	57	0.0	-64.47	434.94	8.86	-55.61
CC(C)C[C@H]([NH2+]CC1=C2C=CC=CC2=NN1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096584	0	54	0.0	-69.24	400.66	7.17	-62.07
CC(C)C[C@H]([NH2+]CC1=NNC2=CC=CC=C21)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096584	1	54	0.0	-61.90	410.33	7.40	-54.50
CC(C)C[C@H]([NH2+]CC1=C(Cl)N=C(Cl)N1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096585	1	51	0.0	-65.11	417.95	8.27	-56.84
CCC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300012096586	0	54	0.0	-59.59	411.15	9.22	-50.37
CC(C)C[C@H]([NH2+]CC1=NC=CC2=CC=CC=C21)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096587	0	56	0.0	-59.92	420.98	9.05	-50.87
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)N2C=CC=CC2=N1	REAL300012096588	0	57	0.0	-61.04	431.59	9.64	-51.40
CCC1=NC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300012096589	0	53	0.0	-60.75	409.05	7.52	-53.23
COC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)SC=C1	REAL300012096590	0	52	0.0	-52.41	406.20	7.02	-45.39
CC(C)C[C@H]([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096591	0	57	0.0	-65.65	440.86	7.23	-58.42
CC(C)C[C@H]([NH2+]CC1=CSC=C1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096592	1	48	0.0	-57.03	388.82	8.40	-48.63
CC1=NN2C(=NC(C)=C2C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300012096593	0	56	0.0	-62.88	430.48	7.83	-55.05
CCCC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C1=CC=CC=C1	REAL300012096594	0	63	0.0	-52.80	462.82	11.24	-41.56
CC(C)C[C@H]([NH2+]CC1CC2CCC1C2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096595	0	58	0.0	-57.58	412.12	9.56	-48.02
CC(C)C[C@H]([NH2+]CC1=CC=C(F)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096596	0	50	0.0	-69.77	383.55	7.19	-62.58
CC(C)C[C@H]([NH2+]CC1=CC=C(C(F)(F)F)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096597	0	51	0.0	-63.14	415.28	9.23	-53.91
CC(C)C[C@H]([NH2+]CC1(C)CCC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096598	0	54	0.0	-53.61	389.17	8.60	-45.01
CC(C)C[C@H]([NH2+]CC1(C(F)F)CC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096599	0	51	0.0	-62.38	383.59	8.59	-53.79
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)NN=C1	REAL300012096600	1	51	0.0	-64.66	372.57	5.38	-59.28
CC1=CNN=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096600	1	51	0.0	-57.76	386.22	5.71	-52.05
CC1=CN=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)N1C	REAL300012096601	1	54	0.0	-63.73	398.64	7.65	-56.08
CC(C)C[C@H]([NH2+]CC1CCC(C(C)C)CC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096602	0	66	0.0	-58.10	459.99	11.05	-47.05
CCC1=NOC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096603	1	53	0.0	-66.99	401.61	7.76	-59.23
CC(C)C[C@H]([NH2+]CC1=C(Cl)N(C)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096604	1	51	0.0	-52.86	407.73	7.02	-45.84
CC(C)C[C@H]([NH2+]CC1=CC2=CC=CN=C2O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096605	0	53	0.0	-69.00	406.93	6.36	-62.64
CC1=CN=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096606	0	53	0.0	-61.98	396.79	7.75	-54.23
CC(C)C[C@H]([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096607	0	53	0.0	-66.13	424.92	6.66	-59.47
CC(C)C[C@H]([NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096608	0	58	0.0	-58.35	435.33	10.74	-47.61
CC(C)C[C@H]([NH2+]CC1=CC=NN1C1=CC=CC=N1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096609	0	57	0.0	-60.75	435.04	9.47	-51.28
CC(C)C[C@H]([NH2+]CC1=NC=CN1C(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096611	1	57	0.0	-60.86	426.94	8.43	-52.43
CC(C)C[C@H]([NH2+]CC1=C(C(F)(F)F)C=NN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096612	0	54	0.0	-66.63	410.36	7.19	-59.44
CC(C)C[C@H]([NH2+]CC1=C(C2CC2)C=NN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096613	0	58	0.0	-65.97	430.97	8.38	-57.59
CC(C)C[C@H]([NH2+]CC1=C(C2CCC2)C=NN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096614	0	61	0.0	-58.10	453.63	9.02	-49.08
CC1=NC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)N1C	REAL300012096615	0	54	0.0	-60.47	404.35	7.91	-52.56
CC1=C2C=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)NC2=CC=C1	REAL300012096616	0	58	0.0	-65.80	436.69	9.54	-56.26
CC(C)C[C@H]([NH2+]CC1=CC=NN1C1=CC=NC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096617	0	57	0.0	-58.03	434.98	7.80	-50.23
CC1=CC=C2C=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)NC2=C1	REAL300012096618	0	58	0.0	-61.48	438.30	9.55	-51.93
CC1=NC=CN=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096619	1	52	0.0	-61.59	390.82	5.76	-55.83
CCOC1=CN=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096620	0	57	0.0	-58.20	435.47	7.28	-50.92
CC(C)C[C@H]([NH2+]CC1=CC=NC=C1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096621	1	50	0.0	-63.87	385.04	7.23	-56.64
CC(C)C[C@H]([NH2+]CC1=CC=NN1C1CCOCC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096622	0	62	0.0	-66.71	458.73	7.61	-59.10
CC(C)C[C@H]([NH2+]CC1=CC=CC2=NNC=C21)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096623	0	54	0.0	-69.72	402.51	7.46	-62.26
CCC(F)(F)C(C)(C)C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096624	0	59	0.0	-55.82	419.28	9.05	-46.77
CC(C)C[C@H]([NH2+]CC1=CC=NC(F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096625	0	50	0.0	-69.67	377.09	6.63	-63.04
CC(C)C[C@H]([NH2+]CC1=CC=C2C=CNC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096626	0	55	0.0	-62.70	406.56	8.56	-54.14
CC(C)C[C@H]([NH2+]CC1=CC2=C(C=CNC2=O)O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096627	1	54	0.0	-63.81	421.69	6.36	-57.45
CC(C)C[C@H]([NH2+]CC1=CC=C(C(F)F)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096628	0	53	0.0	-70.50	411.22	8.19	-62.31
CC(C)C[C@H]([NH2+]CC1=CC(C#N)=CC=C1N(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096629	0	60	0.0	-62.83	444.98	10.26	-52.57
COC1=CN=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300012096631	0	57	0.0	-65.40	418.61	7.21	-58.19
CC1=CC(C)=C(C=CC[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300012096632	0	64	0.0	-63.41	467.96	11.68	-51.73
CC(C)C[C@H]([NH2+]CC1=CC(F)=CC=C1N(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096635	0	59	0.0	-55.63	442.74	8.98	-46.65
CC(C)C[C@H]([NH2+]CC1=CN(C2CC2)C=N1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096636	1	55	0.0	-60.33	422.37	9.49	-50.84
CC(C)C[C@H]([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096637	0	56	0.0	-70.72	422.68	8.98	-61.74
CC1=CC(C)=C(C=CC[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300012096638	0	64	0.0	-59.31	470.53	11.98	-47.33
CC1=NSC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096639	0	50	0.0	-65.09	389.09	7.56	-57.53
CC(C)C[C@H]([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096640	0	56	0.0	-64.14	439.65	3.64	-60.50
CC(C)C[C@H]([NH2+]CC1=CN=C(C2CC2)O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096642	1	54	0.0	-60.09	419.72	6.15	-53.94
CCC1=CNC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300012096643	1	54	0.0	-60.52	411.87	6.95	-53.57
CC(C)C[C@H]([NH2+]CC1=NC=CC2=C1CCCC2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096644	0	60	0.0	-56.27	430.60	9.15	-47.12
CC1=NN(C)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1Cl	REAL300012096645	1	54	0.0	-62.29	423.19	7.56	-54.73
CC(C)C[C@H]([NH2+]CC1=CN(C)N=C1C1CCCC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096646	0	64	0.0	-65.03	465.69	9.75	-55.28
CC(C)C[C@H]([NH2+]CC1=CC=C2OCCCC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096647	0	59	0.0	-64.30	438.69	9.56	-54.74
CC(C)C[C@H]([NH2+]CC1=CC=CC(C(=O)N(C)C)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096648	0	61	0.0	-63.82	455.96	8.83	-54.99
CCC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(Cl)=NN1	REAL300012096649	1	54	0.0	-62.02	424.25	6.73	-55.29
CC(C)C[C@H]([NH2+]CC1=C(C2CC2)NN=C1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096650	1	55	0.0	-51.95	431.77	7.55	-44.40
CCC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=NO1	REAL300012096651	0	56	0.0	-63.86	418.25	8.63	-55.23
CC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C2CCCCC2=N1	REAL300012096653	0	63	0.0	-57.39	457.99	9.86	-47.53
CCOC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)O1	REAL300012096654	1	55	0.0	-64.23	420.61	8.44	-55.79
CCN1C=NC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096656	1	54	0.0	-61.14	407.09	8.95	-52.19
CC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CN=C1F	REAL300012096657	0	53	0.0	-59.51	407.05	7.47	-52.04
CC1=CC(F)=NC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096658	0	53	0.0	-67.59	399.08	7.90	-59.69
CC(C)C[C@H]([NH2+]CC1=CC=C(C(F)F)C(F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096659	0	54	0.0	-69.87	423.05	9.92	-59.95
COC(=O)C1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300012096660	0	60	0.0	-67.30	456.33	10.15	-57.15
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300012096661	0	58	0.0	-58.03	429.13	8.86	-49.17
CC(C)C[C@H]([NH2+]CC1=CC=C2OC(C)CC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096662	0	59	0.0	-61.19	440.53	9.55	-51.64
CC(C)C[C@H]([NH2+]CC1=CC=CC2=C1OC(=O)N2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096663	0	54	0.0	-64.55	414.23	6.64	-57.91
CC(C)C[C@H]([NH2+]CC1=CC=CC2=C1OCC2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096664	0	56	0.0	-55.34	417.97	8.86	-46.48
CSCC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096665	0	58	0.0	-58.33	451.00	10.86	-47.47
CC(C)C[C@H]([NH2+]CC1=CN(CC2CCC2)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096666	0	61	0.0	-62.25	457.01	9.81	-52.44
CC(C)C[C@H]([NH2+]CC1=C2COCCC2=NN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096667	0	59	0.0	-67.06	441.85	6.51	-60.55
CC(C)C[C@H]([NH2+]CC1=C2CCCC2=NN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096668	0	58	0.0	-60.72	432.89	8.09	-52.63
CC(C)C[C@H]([NH2+]CC1=CC=NN1C1CCC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096669	0	58	0.0	-64.16	429.74	8.60	-55.56
CC(C)C[C@H]([NH2+]CC1=CN(C2CCC2)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096670	0	58	0.0	-63.83	431.24	8.76	-55.07
COC1=CC=C(C)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096671	0	58	0.0	-60.87	427.56	8.99	-51.88
CC(C)C[C@H]([NH2+]CC1=C2C(=CC=C1)N=CN2C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096672	0	57	0.0	-59.18	423.41	9.80	-49.38
CCC1=CC=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096673	0	57	0.0	-53.27	422.63	10.16	-43.11
CC(C)C[C@H]([NH2+]CC1=CC=C(C(=O)N(C)C)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096674	0	61	0.0	-69.21	455.00	8.80	-60.41
CC1=CC(F)=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096675	0	54	0.0	-56.53	418.82	9.58	-46.95
CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1C	REAL300012096676	0	60	0.0	-54.12	438.70	10.60	-43.52
CCNC(=O)C1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096677	0	61	0.0	-61.21	463.38	7.81	-53.40
CC(C)C[C@H]([NH2+]CC1=CC=CC=C1C(C)(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096678	0	63	0.0	-58.09	449.15	10.84	-47.25
CC(C)C[C@H]([NH2+]CC1=CN=C2CCCCCN12)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096679	0	61	0.0	-62.97	434.26	9.01	-53.96
CC(C)C[C@H]([NH2+]CC1=CON=C1C1CC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096680	1	54	0.0	-58.99	419.18	8.45	-50.54
CCN1CCC2=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C21	REAL300012096681	0	63	0.0	-62.43	463.51	9.62	-52.81
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=NN1C(C)C	REAL300012096682	0	60	0.0	-62.86	435.59	8.18	-54.68
CC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1C1CC1	REAL300012096683	0	61	0.0	-56.79	453.19	11.23	-45.56
CCOC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=N1	REAL300012096684	0	57	0.0	-58.51	435.10	6.25	-52.26
CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C1CC1	REAL300012096685	0	61	0.0	-60.97	450.87	11.57	-49.40
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)O1	REAL300012096686	1	52	0.0	-62.83	396.84	7.55	-55.28
COCCOC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)O1	REAL300012096687	1	59	0.0	-62.48	455.41	7.37	-55.11
CC1=NN(C(C)C)C(C)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096688	0	63	0.0	-57.85	472.37	9.19	-48.66
CC(C)C[C@H]([NH2+]CC1=NN(CCF)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096689	1	54	0.0	-61.53	415.27	7.59	-53.94
CCN1C=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=N1	REAL300012096690	0	57	0.0	-62.59	423.59	8.07	-54.52
CC(C)C[C@H]([NH2+]CC1=CN(C)N=C1C1CC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096691	0	58	0.0	-64.51	438.43	8.93	-55.58
CC(C)C[C@H]([NH2+]CC1=CC(C2CC2)=NN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096692	0	58	0.0	-64.88	437.41	8.50	-56.38
CC(C)C[C@H]([NH2+]CC1=CON=C1C(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096693	1	56	0.0	-58.81	424.38	7.90	-50.91
CC(C)C[C@H]([NH2+]CC1=CN=C(C2CCOCC2)O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096694	1	61	0.0	-62.53	456.17	5.41	-57.12
COC1=NC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1F	REAL300012096695	1	54	0.0	-54.60	423.62	5.60	-49.00
CC(C)C[C@H]([NH2+]CC1=CN2C=CN=C2S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096696	0	51	0.0	-63.85	406.48	8.85	-55.00
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C(C(C)(C)C)O1	REAL300012096697	0	63	0.0	-60.96	460.59	9.99	-50.97
CC1=C(C)SC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300012096698	1	53	0.0	-58.77	403.80	6.98	-51.79
CC(C)C[C@H]([NH2+]CC1=CC=C2OC(C)C(C)C2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096699	0	62	0.0	-63.87	455.93	10.25	-53.62
CC(C)C[C@H]([NH2+]CC1=CSN=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096700	1	47	0.0	-57.39	373.60	6.53	-50.86
CC(C)CC1=CC=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096701	0	63	0.0	-53.04	461.76	11.43	-41.61
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)NN=C1C(F)(F)F	REAL300012096702	0	54	0.0	-69.90	411.43	6.65	-63.25
CC(C)C[C@H]([NH2+]CC1=NC(C2CC2)=CS1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096704	1	54	0.0	-59.62	420.83	8.17	-51.45
CC(C)C[C@H]([NH2+]CC1=CC(C(F)(F)F)=NN1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096705	0	51	0.0	-69.30	406.16	6.19	-63.11
CC(C)C[C@H]([NH2+]CC1=CC=C2CCOC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096706	0	56	0.0	-61.58	418.93	8.82	-52.76
CSC1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096708	0	55	0.0	-58.83	425.41	9.86	-48.97
CC(C)C[C@H]([NH2+]CC1=C(C(C)C)C=NN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096709	0	60	0.0	-57.67	448.35	8.36	-49.31
CC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC(C)=N1	REAL300012096710	0	56	0.0	-63.58	425.07	8.37	-55.21
CCCN1C=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=N1	REAL300012096711	0	60	0.0	-62.67	441.39	8.63	-54.04
CCN1C=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300012096712	1	54	0.0	-60.65	410.56	7.19	-53.46
CC(C)C[C@H]([NH2+]CC1=CC2=NC=CC=C2O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096713	0	53	0.0	-66.26	406.91	7.59	-58.67
CC(C)C[C@H]([NH2+]CC1=CC=C(CC2CC2)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096715	0	58	0.0	-59.88	449.41	11.25	-48.63
CC(C)C[C@H]([NH2+]CC1=CC=C(OC2CC2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096716	0	59	0.0	-64.77	445.53	9.93	-54.84
CNC(=O)C1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096717	0	58	0.0	-63.08	443.33	7.19	-55.89
CCNC(=O)C1=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096719	0	61	0.0	-62.55	463.16	7.96	-54.59
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300012096720	0	57	0.0	-62.08	437.54	10.18	-51.90
CC(C)C[C@H]([NH2+]CC1=CC(C2CCC2)=NN1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096721	0	58	0.0	-58.53	432.52	7.59	-50.94
CCCN1C=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300012096722	1	57	0.0	-60.51	432.06	7.95	-52.56
CC(C)C[C@H]([NH2+]CC1=NN(C(C)C)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096723	1	57	0.0	-58.23	426.69	8.03	-50.20
CC(C)C[C@H]([NH2+]CC1=CN=CC(C(C)(C)C)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096724	0	62	0.0	-56.07	460.58	9.38	-46.69
CC(C)C[C@H]([NH2+]CC1=NN(CC(F)(F)F)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096725	1	54	0.0	-63.81	426.56	7.95	-55.86
CC(C)C[C@H]([NH2+]CC1=NC2=C(CCCC2)N1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096726	1	61	0.0	-61.56	449.00	9.36	-52.20
COC1=NC(Cl)=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096727	1	54	0.0	-61.40	424.78	6.23	-55.17
CC(C)C[C@H]([NH2+]CC1=CN(C)N=C1C(F)(F)F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096728	0	54	0.0	-64.73	408.54	6.87	-57.86
CC(C)C[C@H]([NH2+]CC1=CC=CC(C(F)F)=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096729	0	54	0.0	-63.05	415.21	9.56	-53.49
CC(C)C[C@H]([NH2+]CC1=CC=CC2=C1COCC2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096730	0	59	0.0	-60.38	429.57	9.04	-51.34
CCOC1=CC=C(Cl)C=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096731	0	58	0.0	-58.34	442.96	9.69	-48.65
COC1=NN(C)C=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096732	1	55	0.0	-52.53	424.80	4.63	-47.90
CC(C)C[C@H]([NH2+]CC1=NC2=C(COCC2)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096733	1	55	0.0	-61.40	422.66	6.10	-55.30
CC(C)C[C@H]([NH2+]CC1=CC2=C(CCCC2)O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096734	0	58	0.0	-60.09	427.36	9.80	-50.29
CC(C)C[C@H]([NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096735	0	53	0.0	-74.87	417.70	9.72	-65.15
CC(C)C[C@H]([NH2+]CC1=CN(C2CCCCC2)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096736	0	64	0.0	-59.42	473.83	9.93	-49.49
CC(C)C[C@H]([NH2+]CC1=CC=C(N(C)CCO)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096738	0	62	0.0	-63.63	461.87	6.60	-57.03
COC1=CC(C)=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300012096739	0	57	0.0	-65.02	424.55	6.64	-58.38
COC1=CC(C)=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1O	REAL300012096740	0	59	0.0	-66.77	440.04	7.03	-59.74
COC1=NC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1C	REAL300012096741	0	57	0.0	-62.02	438.40	6.25	-55.77
CCCN1C=NC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096742	0	57	0.0	-55.28	429.39	9.75	-45.53
CC(C)C[C@H]([NH2+]CC1=CC=CNC1=O)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096743	0	51	0.0	-62.49	388.29	5.90	-56.59
CC(C)C[C@H]([NH2+]CC=CC1=CC=C2OCOC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096744	0	58	0.0	-67.56	443.23	8.91	-58.65
CC(C)C[C@H]([NH2+]CC1=CC=C(CC2CCC2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096745	0	64	0.0	-56.60	475.63	12.44	-44.16
CCC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=NN1CC	REAL300012096746	0	60	0.0	-59.00	438.36	8.71	-50.29
CC(C)C[C@H]([NH2+]CC1=C(F)C=CC(Cl)=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096747	1	51	0.0	-55.50	410.21	9.50	-46.00
CC(C)C[C@H]([NH2+]CC1=CC(C2CC2)=NN1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096748	0	55	0.0	-65.76	412.57	7.27	-58.49
CC(C)C[C@H]([NH2+]CC1=CC=NN1C1CC1(F)F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096749	0	55	0.0	-69.95	426.90	8.56	-61.39
COC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=CS1	REAL300012096750	0	52	0.0	-56.89	394.50	7.12	-49.77
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C(F)(F)F)=CO1	REAL300012096751	0	54	0.0	-60.42	427.81	8.67	-51.75
CC(C)C[C@H]([NH2+]CC1=CC=CC(C(C)(F)F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096752	0	57	0.0	-61.55	438.41	10.36	-51.19
CC(C)C[C@H]([NH2+]CC1=CNN=C1C1=CN(C)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096753	0	58	0.0	-63.30	438.81	6.87	-56.43
CC(C)C[C@H]([NH2+]CC1=CN=C(C(C)(C)C#N)S1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096754	0	57	0.0	-64.71	447.54	8.15	-56.56
CC(C)C[C@H]([NH2+]CC1=CC(F)=CC(F)=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096755	1	51	0.0	-62.45	391.52	8.67	-53.78
CC(C)C[C@H]([NH2+]CC1=CC(C(C)(C)C)=NN1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096756	0	60	0.0	-64.57	439.07	7.44	-57.13
C=CCC1=CC=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096757	0	58	0.0	-54.98	438.12	10.71	-44.27
COCC1=CN=C(OC)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096758	1	61	0.0	-60.52	466.62	5.49	-55.03
CC(C)C[C@H]([NH2+]CC=CC1=CC=CC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096759	0	55	0.0	-61.04	408.33	9.92	-51.12
CC(C)C[C@H]([NH2+]CC1=CN=NN1C1CC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096760	1	54	0.0	-71.38	410.33	6.96	-64.42
COCC1=CC=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096761	0	58	0.0	-59.74	432.10	8.81	-50.93
CC(C)C[C@H]([NH2+]CC1=CC=C2CCOCC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096762	0	59	0.0	-61.33	438.00	8.96	-52.37
CC(C)C[C@H]([NH2+]CC1=CN(CCO)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096763	0	55	0.0	-58.35	421.27	3.99	-54.36
CC(C)C[C@H]([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096764	0	57	0.0	-62.16	440.12	6.85	-55.31
COC1=CC=C(F)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1OC	REAL300012096765	1	59	0.0	-56.39	448.93	8.36	-48.03
CC(C)C[C@H]([NH2+]CC=CC1=CC=NC=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096766	0	54	0.0	-60.05	411.48	8.20	-51.85
CC(C)C[C@H]([NH2+]CC1=CNN=C1C1=NN(C)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096767	0	58	0.0	-51.88	450.04	6.88	-45.00
C=CC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096768	0	55	0.0	-56.57	422.13	9.94	-46.63
CC(C)C[C@H]([NH2+]CC1=CC=CC=C1C(C)(F)F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096769	0	57	0.0	-48.49	424.40	10.05	-38.44
CCN1C=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C2CC2)=N1	REAL300012096770	0	61	0.0	-56.93	467.54	9.68	-47.25
CC(C)C[C@H]([NH2+]CC1=CON=C1C(C)(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096771	1	59	0.0	-67.40	422.95	8.51	-58.89
CC(C)C[C@H]([NH2+]CC1=CC2=CN=CC=C2C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096772	0	56	0.0	-62.06	432.10	9.31	-52.75
CC1=CC2=CC=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C2O1	REAL300012096773	0	57	0.0	-59.35	432.37	10.22	-49.13
COC1=CSC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1OC	REAL300012096774	0	56	0.0	-57.71	438.64	6.93	-50.78
CC(C)C[C@H]([NH2+]CC1=CON=C1C1CCC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096775	1	57	0.0	-67.71	422.60	8.74	-58.97
CC(C)C[C@H]([NH2+]CC1=CC(S(C)(=O)=O)=CO1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096776	1	54	0.0	-71.55	426.90	4.57	-66.98
CC(C)C[C@H]([NH2+]CC1=CC=C(OC(C)C)C(F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096777	0	61	0.0	-63.12	460.02	9.90	-53.22
CC(C)C[C@H]([NH2+]CC1=CC=C(F)C(Cl)=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096779	1	51	0.0	-68.54	403.77	9.22	-59.32
CC(C)C[C@H]([NH2+]CC1=CC=CC(C(F)F)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096780	0	54	0.0	-55.00	419.67	9.62	-45.38
CC(C)C[C@H]([NH2+]CC1=C(F)C2=CC=CC=C2C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096781	0	57	0.0	-60.07	424.41	10.69	-49.38
CC(C)C[C@H]([NH2+]CC1=CSC(Cl)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096782	0	48	0.0	-59.85	393.19	8.17	-51.68
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=NN1C1CCC1	REAL300012096783	0	61	0.0	-62.98	441.28	8.82	-54.16
CC1=NN(C2CCCC2)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096784	0	64	0.0	-56.34	471.38	9.77	-46.57
CC(C)C[C@H]([NH2+]CC1=CC=NN1CC(F)F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096785	0	54	0.0	-64.47	411.98	7.87	-56.60
CC(C)C[C@H]([NH2+]CC1=C(F)C=NC=C1N(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096787	1	58	0.0	-54.95	436.92	7.02	-47.93
CC(C)C[C@H]([NH2+]CC1=NN(C2CCC2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096788	1	58	0.0	-58.48	437.40	8.57	-49.91
CC(C)C[C@H]([NH2+]CC1=NN(CC(F)F)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096789	1	54	0.0	-63.41	425.42	7.78	-55.63
CC(C)C[C@H]([NH2+]CC1=NN(C2CC2(F)F)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096790	1	55	0.0	-67.25	424.23	7.98	-59.27
CC(C)C[C@H]([NH2+]CC1=CN(C2CCOCC2)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096791	0	62	0.0	-60.39	460.92	7.32	-53.07
CC1=CN(C)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300012096792	1	54	0.0	-60.14	402.89	7.76	-52.38
CC(C)C[C@H]([NH2+]CC1=NN(C2CCCC2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096793	1	61	0.0	-58.10	454.96	9.24	-48.86
CC1=NSC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096795	0	50	0.0	-61.64	385.97	7.15	-54.49
CC1=NN(C2CCCC2)C=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096796	0	64	0.0	-62.97	469.58	10.00	-52.97
CC(C)C[C@H]([NH2+]CC1=CC=CC=C1C(F)F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096797	0	54	0.0	-54.45	404.03	9.72	-44.73
CC(C)C[C@H]([NH2+]CC1=CC2=CNN=C2C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096798	0	54	0.0	-68.98	411.69	7.70	-61.28
CC(C)C[C@H]([NH2+]CC1=CC=C(Cl)C(F)=C1F)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096799	1	51	0.0	-70.05	404.88	9.16	-60.89
CC1=C(F)C=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096800	0	54	0.0	-53.67	409.29	9.54	-44.13
COC1=C(C#N)C=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096801	0	56	0.0	-54.45	435.05	8.50	-45.95
CC1=NC(Cl)=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096802	0	53	0.0	-65.73	408.62	8.44	-57.29
COC1=CC(Cl)=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096803	0	55	0.0	-62.71	432.18	8.75	-53.96
COC1=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC(F)=C1F	REAL300012096804	0	55	0.0	-66.22	433.02	8.28	-57.94
COC1=CC(C)=NC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096805	1	57	0.0	-58.19	427.37	7.24	-50.95
CC(C)C[C@H]([NH2+]CC1=CN(C(C)C)C=N1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096806	1	57	0.0	-60.87	426.72	9.34	-51.53
CC(C)C[C@H]([NH2+]CC1=CNN=C1C1=CC=NN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096807	0	58	0.0	-68.56	433.03	6.30	-62.26
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C2CC2)=NO1	REAL300012096808	0	57	0.0	-65.56	423.40	8.98	-56.58
COC(=O)C1=C(C)NC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300012096809	0	61	0.0	-68.01	465.55	8.75	-59.26
CC(C)C[C@H]([NH2+]CC1=CC=C(OC(C)C)O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096810	1	58	0.0	-63.76	439.76	9.17	-54.59
CC(C)C[C@H]([NH2+]CC1=C(Cl)C=CC2=C1OCO2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096811	1	54	0.0	-53.51	424.10	8.05	-45.46
CC(C)C[C@H]([NH2+]CC1=CC(F)=CC(C#N)=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096812	0	52	0.0	-63.18	416.36	9.33	-53.85
COC1=CC=CC=C1C=CC[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096813	0	59	0.0	-57.92	443.03	9.61	-48.31
CC1=NN(C2CCC2)C=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096814	0	61	0.0	-63.77	445.76	8.84	-54.93
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=NN1CC(F)F	REAL300012096815	0	57	0.0	-68.85	428.77	7.68	-61.17
CC(C)C[C@H]([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096816	0	59	0.0	-67.68	451.73	9.49	-58.19
CC(C)C[C@H]([NH2+]CC1=CC(C2=CC=CO2)=NN1C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096817	0	58	0.0	-68.58	445.60	8.28	-60.30
COC1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=N1	REAL300012096818	0	57	0.0	-65.65	425.38	6.35	-59.30
CCN(C)C1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1	REAL300012096819	0	65	0.0	-54.21	473.58	10.64	-43.57
CC(C)C[C@H]([NH2+]CC1=C(Cl)C(Cl)=CS1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096820	0	48	0.0	-58.64	398.95	8.61	-50.03
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=NS1	REAL300012096821	0	50	0.0	-64.62	385.57	7.53	-57.09
COC1=CC(C)=CC(OC)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096822	1	62	0.0	-51.39	463.13	8.06	-43.33
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=NO1	REAL300012096823	1	50	0.0	-66.87	379.47	7.24	-59.63
CC(C)C[C@H]([NH2+]CC1=CC=C(CF)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096824	0	54	0.0	-58.97	412.86	9.79	-49.18
CC(C)C[C@H]([NH2+]CC1=CC=C2SC=CC2=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096825	0	54	0.0	-57.91	426.10	10.25	-47.66
CC(C)C[C@H]([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096826	0	60	0.0	-63.30	453.44	10.65	-52.65
CC(C)C[C@H]([NH2+]CC1=CC=CC=C1CO)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096827	0	55	0.0	-58.17	410.35	6.05	-52.12
CC1=NSC(C)=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096828	0	53	0.0	-64.57	406.45	7.81	-56.76
CC(C)C[C@H]([NH2+]CC1=C(C(C)(C)C)ON=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096829	1	59	0.0	-57.34	436.54	8.78	-48.56
C=CCN1C=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300012096830	0	55	0.0	-63.96	423.28	8.17	-55.79
CC(C)C[C@H]([NH2+]CC1=CC2=NNC=C2C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096831	0	54	0.0	-64.17	409.33	7.70	-56.47
CCC(C)C1=CC=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012096832	0	63	0.0	-57.23	462.29	11.54	-45.69
CC(C)C[C@H]([NH2+]CC1=CC=CC(C(C)(F)F)=N1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096833	0	56	0.0	-64.84	435.02	8.92	-55.92
CC(C)C[C@H]([NH2+]CC1=CC=CC2=C1CCCC2)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096834	0	61	0.0	-55.96	441.55	10.96	-45.00
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096835	0	58	0.0	-65.97	442.87	10.66	-55.31
CC(C)C[C@H]([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096836	0	57	0.0	-69.60	436.95	8.81	-60.79
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C=CC2=CC=CC=C21	REAL300012096837	0	60	0.0	-62.82	439.60	11.88	-50.94
COC1=C2C=CNC2=CC=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096838	0	59	0.0	-59.07	438.99	8.49	-50.58
CC1=NC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C(C)S1	REAL300012096839	1	53	0.0	-55.32	410.86	7.24	-48.08
CCCN1N=CC(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300012096840	0	60	0.0	-64.27	440.71	8.34	-55.93
CC1=C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300012096841	0	59	0.0	-56.51	441.30	9.76	-46.75
COC(=O)C1=CN(C)C(C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012096842	0	58	0.0	-67.29	439.18	8.74	-58.55
CCCN1N=C(C)C=C1C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096843	0	60	0.0	-65.49	443.96	8.62	-56.87
CC(C)C[C@H]([NH2+]CC1=CN(C)N=C1C1CCC1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096844	0	61	0.0	-63.20	456.26	9.45	-53.75
CC(C)C[C@H]([NH2+]CC1=CN=C(C(C)(C)C)O1)C(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012096845	1	59	0.0	-63.36	437.44	6.12	-57.24
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012096846	0	39	0.0	-25.15	337.42	10.39	-14.76
CC1=CC=C(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012096847	0	39	0.0	-27.17	336.28	10.41	-16.76
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012096848	0	38	0.0	-32.30	343.19	9.55	-22.75
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1CC2C=CC1C2	REAL300012096849	0	38	0.0	-30.64	320.11	9.70	-20.94
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1CCCCC1	REAL300012096850	0	39	0.0	-29.50	323.08	9.51	-19.99
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012096851	0	45	0.0	-29.08	379.58	11.55	-17.53
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012096852	0	40	0.0	-29.61	358.63	9.01	-20.60
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Br)O1	REAL300012096853	0	30	0.0	-30.21	303.65	7.97	-22.24
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012096854	0	43	0.0	-29.88	381.86	10.96	-18.92
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1OC(F)F	REAL300012096855	0	41	0.0	-34.17	370.57	8.66	-25.51
CCOC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1OC	REAL300012096856	0	44	0.0	-33.55	383.99	9.34	-24.21
CCCCCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012096857	0	49	0.0	-31.00	419.23	11.81	-19.19
CC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1C	REAL300012096858	0	39	0.0	-26.08	335.86	10.36	-15.72
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012096859	0	39	0.0	-28.55	340.47	10.38	-18.17
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012096860	0	43	0.0	-23.31	369.07	10.02	-13.29
CCCCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012096861	0	50	0.0	-33.36	426.98	10.92	-22.44
CCCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012096862	0	47	0.0	-32.82	404.16	10.10	-22.72
C=CCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012096863	0	45	0.0	-32.21	395.57	9.88	-22.33
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012096864	0	40	0.0	-30.70	378.18	11.52	-19.18
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012096865	0	40	0.0	-33.22	380.49	11.64	-21.58
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012096866	0	43	0.0	-31.40	386.31	10.85	-20.55
CCC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012096867	0	42	0.0	-28.90	367.02	11.13	-17.77
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012096868	0	39	0.0	-31.02	372.45	9.97	-21.05
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012096869	0	37	0.0	-24.51	348.00	9.05	-15.46
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012096870	0	37	0.0	-29.94	358.46	10.65	-19.29
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012096871	0	40	0.0	-26.37	363.36	6.88	-19.49
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(Cl)=C1	REAL300012096872	0	37	0.0	-30.42	341.99	8.84	-21.58
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012096873	0	37	0.0	-30.28	348.06	8.97	-21.31
N#CC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012096874	0	34	0.0	-36.99	322.92	9.56	-27.43
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012096875	0	40	0.0	-29.78	366.27	9.14	-20.64
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012096876	0	43	0.0	-28.57	376.07	9.53	-19.04
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012096877	0	37	0.0	-25.74	343.32	8.19	-17.55
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012096878	0	44	0.0	-27.64	389.23	8.34	-19.30
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012096879	0	36	0.0	-26.98	340.28	10.56	-16.42
CCOC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=NN1CC(C)C	REAL300012096880	0	52	0.0	-29.88	438.05	9.74	-20.14
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012096881	0	39	0.0	-30.48	348.13	9.67	-20.81
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])O2)C=C1	REAL300012096882	0	43	0.0	-30.67	382.85	11.67	-19.00
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])O1	REAL300012096883	0	40	0.0	-26.56	355.55	8.00	-18.56
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012096884	0	39	0.0	-28.62	354.45	7.28	-21.34
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012096885	0	48	0.0	-33.61	411.70	9.83	-23.78
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Cl)S1	REAL300012096886	0	30	0.0	-29.46	310.62	8.91	-20.55
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012096887	0	40	0.0	-30.82	377.61	12.03	-18.79
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012096888	0	38	0.0	-24.97	343.14	9.72	-15.25
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012096889	0	42	0.0	-32.50	374.24	8.19	-24.31
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012096890	0	40	0.0	-36.21	360.42	10.39	-25.82
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012096891	0	39	0.0	-38.33	355.35	11.71	-26.62
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012096892	0	40	0.0	-29.38	380.59	12.18	-17.20
CCC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])O1	REAL300012096893	0	36	0.0	-28.67	325.35	8.84	-19.83
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012096894	0	33	0.0	-30.85	314.04	9.27	-21.58
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012096895	0	36	0.0	-26.98	352.97	10.66	-16.32
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012096896	0	33	0.0	-23.47	320.32	9.62	-13.85
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012096897	0	33	0.0	-33.82	324.63	9.74	-24.08
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012096898	0	36	0.0	-36.15	346.39	10.23	-25.92
CCOC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012096899	0	40	0.0	-32.08	354.74	9.45	-22.63
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012096900	0	36	0.0	-29.11	328.79	9.89	-19.22
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012096901	0	33	0.0	-28.28	331.91	10.17	-18.11
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012096902	0	36	0.0	-33.26	338.36	10.32	-22.94
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012096903	0	33	0.0	-34.77	321.07	9.37	-25.40
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012096904	0	36	0.0	-32.35	347.20	10.24	-22.11
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012096905	0	36	0.0	-28.59	345.63	10.23	-18.36
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(Cl)=C1OC	REAL300012096906	0	41	0.0	-26.16	377.95	8.96	-17.20
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012096907	0	36	0.0	-28.37	340.77	10.76	-17.61
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012096908	0	33	0.0	-34.49	325.95	9.79	-24.70
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012096909	0	37	0.0	-29.11	356.69	9.34	-19.77
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CN=C1Cl	REAL300012096910	0	32	0.0	-30.29	306.02	7.67	-22.62
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012096911	0	42	0.0	-32.20	367.78	8.85	-23.35
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012096912	0	42	0.0	-26.74	383.48	9.17	-17.57
COCCOC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012096913	0	44	0.0	-34.46	388.37	8.72	-25.74
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300012096914	0	37	0.0	-33.69	347.59	9.03	-24.66
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012096915	0	38	0.0	-36.14	361.46	8.03	-28.11
CC(C)N1C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=NC2=CC=CC=C21	REAL300012096916	1	45	0.0	-32.11	382.59	10.68	-21.43
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012096917	0	40	0.0	-34.99	374.31	9.91	-25.08
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012096918	0	39	0.0	-31.71	346.25	8.44	-23.27
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012096919	0	42	0.0	-25.62	361.02	9.13	-16.49
CCCN1C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=NC2=CC=CC=C21	REAL300012096920	1	45	0.0	-32.06	388.77	11.24	-20.82
CCCOC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012096921	0	43	0.0	-31.83	376.24	10.25	-21.58
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012096922	0	40	0.0	-29.42	369.43	11.80	-17.62
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012096923	0	47	0.0	-31.93	397.48	11.42	-20.51
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012096924	0	43	0.0	-29.95	371.34	10.03	-19.92
CC1=CC=C(C2=NC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CS2)C=C1	REAL300012096925	0	42	0.0	-31.72	389.61	10.65	-21.07
CC(C)C1=NC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CS1	REAL300012096926	0	38	0.0	-30.50	351.13	8.22	-22.28
CC(C)(C)C1=NC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CS1	REAL300012096927	0	41	0.0	-30.24	370.06	8.72	-21.52
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012096928	0	36	0.0	-30.34	357.08	8.84	-21.50
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012096929	0	40	0.0	-32.38	377.62	12.03	-20.35
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012096930	0	47	0.0	-29.93	409.79	10.06	-19.87
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012096931	0	47	0.0	-23.15	393.89	11.37	-11.78
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])S2)C=C1	REAL300012096932	0	43	0.0	-29.94	392.61	12.64	-17.30
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012096933	0	37	0.0	-24.30	363.53	9.54	-14.76
CCOC1=C(OC)C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012096934	0	48	0.0	-33.61	415.82	9.24	-24.37
COCCCOC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012096935	0	47	0.0	-33.41	408.59	9.28	-24.13
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CN=C1Cl	REAL300012096936	0	35	0.0	-34.31	333.89	8.45	-25.86
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012096937	0	41	0.0	-29.41	369.42	8.10	-21.31
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012096938	0	37	0.0	-27.56	352.36	9.17	-18.39
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])S2)C=C1	REAL300012096939	0	42	0.0	-29.65	389.78	10.89	-18.76
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012096940	0	38	0.0	-24.66	357.68	10.15	-14.51
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012096941	0	38	0.0	-31.86	347.44	9.76	-22.10
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012096942	0	38	0.0	-26.12	349.53	9.78	-16.34
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012096943	0	38	0.0	-31.36	356.28	10.14	-21.22
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012096944	0	40	0.0	-32.98	375.94	11.17	-21.81
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])O1	REAL300012096945	0	43	0.0	-31.57	390.56	11.82	-19.75
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])O2)C=C1	REAL300012096946	0	46	0.0	-31.35	406.49	12.52	-18.83
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(OC(F)F)=C1	REAL300012096947	0	41	0.0	-32.63	369.43	8.11	-24.52
COC1=CC=C2OC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CC2=C1	REAL300012096948	0	40	0.0	-31.59	358.56	8.92	-22.67
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012096949	0	37	0.0	-34.04	351.15	11.03	-23.01
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012096950	0	39	0.0	-27.91	352.33	10.39	-17.52
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012096951	0	36	0.0	-32.30	331.30	9.59	-22.71
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012096952	0	41	0.0	-31.13	367.97	10.87	-20.26
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1Br	REAL300012096953	0	36	0.0	-28.91	342.88	10.41	-18.50
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N=C1	REAL300012096954	0	35	0.0	-26.76	319.79	8.04	-18.72
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012096955	0	37	0.0	-38.04	346.34	10.61	-27.43
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1Br	REAL300012096956	0	36	0.0	-30.57	342.88	10.41	-20.16
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012096957	0	40	0.0	-28.79	362.27	10.34	-18.45
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(Cl)SC=C1	REAL300012096958	0	30	0.0	-27.11	307.52	8.73	-18.38
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012096959	0	38	0.0	-30.31	355.87	9.57	-20.74
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012096960	0	37	0.0	-30.63	340.45	9.20	-21.43
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012096961	0	37	0.0	-32.04	341.68	9.23	-22.81
CCOC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=N1	REAL300012096962	0	39	0.0	-31.04	350.23	6.70	-24.34
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012096963	0	41	0.0	-32.45	364.63	10.41	-22.04
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1Cl	REAL300012096964	0	36	0.0	-30.09	337.53	10.28	-19.81
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012096965	0	35	0.0	-32.94	335.26	8.70	-24.24
CCCC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012096966	0	42	0.0	-26.96	367.75	11.40	-15.56
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012096967	0	47	0.0	-33.27	402.53	10.35	-22.92
COC1=CC=C2N=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])SC2=C1	REAL300012096968	0	39	0.0	-27.98	365.03	7.99	-19.99
CN1C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=NC2=CC=C(Cl)C=C21	REAL300012096969	0	39	0.0	-32.76	364.35	9.96	-22.80
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1C#N	REAL300012096970	0	38	0.0	-39.91	351.78	8.89	-31.02
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012096971	0	37	0.0	-30.97	353.20	10.49	-20.48
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012096972	0	39	0.0	-27.06	348.04	10.63	-16.43
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012096973	0	37	0.0	-34.93	348.87	8.87	-26.06
CCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N=C1	REAL300012096974	0	39	0.0	-31.71	349.77	7.55	-24.16
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012096975	0	39	0.0	-28.31	357.24	10.81	-17.50
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC(Cl)=C1OC	REAL300012096976	0	41	0.0	-34.74	382.09	9.06	-25.68
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OCC(C)C	REAL300012096977	0	50	0.0	-31.99	425.59	10.82	-21.17
CCCOC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1OC	REAL300012096978	0	47	0.0	-31.63	404.17	10.10	-21.53
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Br)S1	REAL300012096979	0	30	0.0	-28.50	313.11	8.95	-19.55
C=CCOC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012096980	0	41	0.0	-32.21	367.65	10.03	-22.18
COC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1OC(C)C	REAL300012096981	0	47	0.0	-23.80	399.21	10.13	-13.67
CCCOC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=CC=C1OCC	REAL300012096982	0	50	0.0	-27.34	426.31	11.12	-16.22
CCCCOC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1OC	REAL300012096983	0	50	0.0	-31.68	425.66	10.88	-20.80
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OC(F)F	REAL300012096984	0	41	0.0	-31.10	371.89	8.71	-22.39
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300012096985	0	43	0.0	-31.90	379.39	10.17	-21.73
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-])OC(C)C2	REAL300012096986	0	48	0.0	-26.41	408.22	9.99	-16.42
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC2=C1OCCO2	REAL300012096987	0	43	0.0	-34.68	375.76	8.20	-26.48
CCCCN1N=C(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1Cl	REAL300012096988	0	45	0.0	-28.49	405.02	10.23	-18.26
CC1=CC(C)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012096989	0	42	0.0	-27.11	353.29	10.94	-16.17
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012096990	0	40	0.0	-28.97	369.05	11.89	-17.08
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012096991	0	40	0.0	-38.00	378.31	11.26	-26.74
CC(C)(C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012096992	0	42	0.0	-28.58	351.43	10.89	-17.69
CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C2CCCCC2)=N1	REAL300012096993	0	49	0.0	-27.80	410.20	10.72	-17.08
CC1CCC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])CC1	REAL300012096994	0	42	0.0	-30.13	338.19	9.94	-20.19
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012096995	0	45	0.0	-32.02	381.06	12.06	-19.96
CCC1CCCC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C1	REAL300012096996	0	45	0.0	-30.75	362.14	10.78	-19.97
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-])=N2	REAL300012096997	0	45	0.0	-24.71	387.65	9.84	-14.87
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012096998	0	39	0.0	-27.69	353.40	10.85	-16.84
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CC2=C1	REAL300012096999	0	42	0.0	-30.99	367.38	10.84	-20.15
CCCC1CCC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])CC1	REAL300012097000	0	48	0.0	-29.58	383.64	11.53	-18.05
CC1CCCCC1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097001	0	42	0.0	-26.53	332.62	9.68	-16.85
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012097002	0	40	0.0	-28.34	375.07	9.56	-18.78
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012097003	0	40	0.0	-35.41	358.02	11.56	-23.85
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012097004	0	40	0.0	-34.82	372.03	11.19	-23.63
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012097005	0	39	0.0	-32.85	363.86	8.91	-23.94
CCCCC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012097006	0	48	0.0	-26.55	411.07	12.62	-13.93
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097007	0	40	0.0	-29.60	352.93	9.25	-20.35
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012097008	0	37	0.0	-35.88	339.11	8.60	-27.28
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012097009	0	42	0.0	-33.34	353.43	10.19	-23.15
CC(C)C1CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])CCO1	REAL300012097010	0	46	0.0	-31.23	373.17	9.23	-22.00
CC1(C)CCC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])CC1	REAL300012097011	0	45	0.0	-30.19	358.36	10.43	-19.76
CCSC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097012	0	40	0.0	-31.51	363.74	11.04	-20.47
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012097013	1	34	0.0	-26.55	333.23	6.90	-19.65
COC1(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])CCCCC1	REAL300012097014	0	43	0.0	-24.14	345.08	8.49	-15.65
CCN1N=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012097015	0	42	0.0	-30.66	375.11	9.97	-20.69
COCCC1(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])CCCCC1	REAL300012097016	0	49	0.0	-29.60	380.41	9.38	-20.22
CCCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097017	0	43	0.0	-30.45	374.91	10.21	-20.24
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012097018	0	36	0.0	-31.88	331.24	9.71	-22.17
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012097019	0	40	0.0	-30.73	361.45	11.00	-19.73
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300012097020	0	47	0.0	-33.44	401.93	9.96	-23.48
CCCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OCC	REAL300012097021	0	50	0.0	-31.57	426.02	11.02	-20.55
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012097022	0	38	0.0	-40.62	347.60	10.42	-30.20
CC(C)OC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097023	0	43	0.0	-30.45	372.66	10.07	-20.38
CC(C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012097024	0	54	0.0	-30.28	435.04	13.55	-16.73
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1F	REAL300012097025	0	36	0.0	-30.90	328.79	9.88	-21.02
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012097026	0	37	0.0	-27.02	332.56	9.11	-17.91
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(Br)C=CS1	REAL300012097027	0	30	0.0	-24.12	313.04	8.82	-15.30
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012097028	0	46	0.0	-24.75	385.45	8.62	-16.13
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012097029	0	33	0.0	-27.26	320.92	9.69	-17.57
CC(C)CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097030	0	45	0.0	-28.62	383.26	11.87	-16.75
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=C2)C=C1	REAL300012097031	0	46	0.0	-30.96	397.68	13.26	-17.70
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012097032	0	39	0.0	-36.23	357.59	9.92	-26.31
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012097033	0	33	0.0	-30.07	335.52	10.19	-19.88
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012097034	0	33	0.0	-31.31	326.53	9.80	-21.51
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097035	0	39	0.0	-25.93	333.38	10.18	-15.75
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(Br)=CO1	REAL300012097036	0	30	0.0	-29.48	305.82	7.96	-21.52
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097037	0	46	0.0	-31.76	399.45	13.30	-18.46
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012097038	0	37	0.0	-33.33	342.64	8.80	-24.53
CCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OCC	REAL300012097039	0	47	0.0	-31.83	404.52	10.22	-21.61
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012097040	0	33	0.0	-33.21	325.68	9.76	-23.45
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012097041	0	36	0.0	-35.29	353.96	10.59	-24.70
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012097042	0	33	0.0	-22.96	323.89	9.72	-13.24
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012097043	0	37	0.0	-32.14	348.06	8.97	-23.17
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012097044	0	33	0.0	-30.95	325.68	9.75	-21.20
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012097045	0	33	0.0	-31.83	316.21	9.36	-22.47
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012097046	0	33	0.0	-35.23	325.13	9.74	-25.49
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C2=CC=CC=C12	REAL300012097047	0	43	0.0	-27.55	372.68	10.68	-16.87
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012097048	0	40	0.0	-27.09	358.47	8.99	-18.10
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012097048	1	40	0.0	-26.15	356.84	8.96	-17.19
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012097049	0	33	0.0	-36.65	315.24	9.31	-27.34
CN1C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=NC2=CC=CC=C21	REAL300012097050	0	39	0.0	-33.73	347.63	9.45	-24.28
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=N1	REAL300012097051	0	36	0.0	-31.29	329.11	5.87	-25.42
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012097052	0	38	0.0	-30.90	337.96	9.02	-21.88
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC(Br)=C1	REAL300012097053	0	30	0.0	-31.02	313.69	8.85	-22.17
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012097054	0	43	0.0	-31.52	377.60	12.63	-18.89
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012097055	0	44	0.0	-30.00	375.98	9.09	-20.91
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012097056	0	37	0.0	-27.11	334.54	9.21	-17.90
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097057	0	36	0.0	-26.78	322.41	9.79	-16.99
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012097058	0	33	0.0	-34.35	330.39	9.89	-24.46
CC1=NC(C)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097059	0	35	0.0	-27.26	327.08	7.58	-19.68
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012097060	0	42	0.0	-34.75	373.72	11.07	-23.68
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012097061	0	42	0.0	-34.61	372.61	10.86	-23.75
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012097062	0	42	0.0	-32.30	371.48	10.83	-21.47
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097063	0	48	0.0	-27.84	395.45	9.71	-18.13
CN1CCN(C2=CC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])C=C2)CC1	REAL300012097064	1	50	0.0	-30.36	412.60	7.93	-22.43
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012097065	0	42	0.0	-33.92	383.40	7.67	-26.25
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097066	0	40	0.0	-39.45	359.86	7.51	-31.94
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012097067	0	40	0.0	-35.70	368.63	10.50	-25.20
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012097068	0	40	0.0	-34.59	377.62	10.91	-23.68
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012097069	0	40	0.0	-33.79	372.99	9.87	-23.92
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012097070	0	39	0.0	-30.12	348.18	11.44	-18.68
COC1=C2OC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CC2=CC=C1	REAL300012097071	0	40	0.0	-30.33	360.76	9.04	-21.29
CC(C)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012097072	0	44	0.0	-40.17	387.15	11.68	-28.49
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012097073	0	33	0.0	-30.17	328.92	9.83	-20.34
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012097074	0	33	0.0	-33.21	330.25	9.87	-23.34
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC(OC)=C1	REAL300012097075	0	41	0.0	-31.34	362.38	7.83	-23.51
COC1=CC2=CC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])C=C2C=C1	REAL300012097076	0	43	0.0	-31.88	378.84	10.77	-21.11
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(Br)=CS1	REAL300012097078	0	30	0.0	-27.47	315.05	8.92	-18.55
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097079	0	46	0.0	-30.14	397.47	11.24	-18.90
COC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1OC(F)F	REAL300012097080	0	41	0.0	-27.46	370.21	8.75	-18.71
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012097081	0	37	0.0	-32.36	363.89	9.76	-22.60
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012097082	0	39	0.0	-38.19	351.56	8.16	-30.03
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012097084	0	33	0.0	-33.82	329.05	9.84	-23.98
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012097085	0	48	0.0	-27.29	394.97	10.43	-16.86
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097086	0	52	0.0	-31.25	439.42	12.55	-18.70
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1SC	REAL300012097087	0	41	0.0	-33.22	372.30	9.57	-23.65
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097088	0	44	0.0	-39.09	395.78	10.72	-28.37
CCC(C)OC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1OC	REAL300012097089	0	50	0.0	-31.44	421.34	10.71	-20.73
C=C(C)COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1OC	REAL300012097090	0	48	0.0	-32.88	416.31	10.70	-22.18
C=CCC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC(OC)=C1O	REAL300012097091	0	45	0.0	-31.37	396.94	8.33	-23.04
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012097092	0	40	0.0	-32.26	361.46	9.10	-23.16
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097093	0	42	0.0	-32.83	380.26	10.14	-22.69
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012097094	0	39	0.0	-36.56	354.11	8.93	-27.63
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012097095	0	39	0.0	-26.45	366.51	9.95	-16.50
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012097096	0	46	0.0	-31.56	390.58	8.04	-23.52
CN1C=NC2=CC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012097097	0	39	0.0	-37.08	350.45	10.53	-26.55
CCN1N=C(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1C	REAL300012097098	0	42	0.0	-31.99	367.09	8.87	-23.12
C=CCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300012097099	0	41	0.0	-33.76	382.35	10.54	-23.22
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012097100	0	39	0.0	-28.91	366.23	10.13	-18.78
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300012097101	0	45	0.0	-31.55	389.81	9.09	-22.46
CC1(C)CC2=CC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CC=C2O1	REAL300012097102	0	44	0.0	-31.99	380.79	10.47	-21.52
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012097103	0	39	0.0	-33.11	357.86	7.54	-25.57
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012097104	0	36	0.0	-31.65	357.68	8.93	-22.72
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097105	0	43	0.0	-35.01	377.38	9.78	-25.23
CC1=CC=C(F)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097106	0	36	0.0	-26.09	329.31	9.93	-16.16
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097107	0	36	0.0	-27.80	321.27	9.81	-17.99
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012097108	0	36	0.0	-32.42	358.84	10.72	-21.70
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(Br)=C1	REAL300012097109	0	36	0.0	-27.76	335.94	10.29	-17.47
CC1=NC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097110	0	35	0.0	-26.56	311.11	7.91	-18.65
CC(C)COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097111	0	46	0.0	-30.82	396.34	10.95	-19.87
COCCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097112	0	44	0.0	-33.11	387.04	8.68	-24.43
CC1(C)CCCC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C1	REAL300012097113	0	45	0.0	-31.36	358.37	10.45	-20.91
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012097114	0	37	0.0	-33.77	358.67	9.34	-24.43
CC1=CCCC(C)C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097115	0	43	0.0	-26.11	343.68	10.47	-15.64
COC1=CC2=C(C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-])OCO2	REAL300012097116	0	40	0.0	-28.21	357.53	7.20	-21.01
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012097117	0	38	0.0	-27.75	337.63	9.46	-18.29
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097118	0	46	0.0	-31.62	396.35	10.95	-20.67
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097119	0	36	0.0	-26.20	332.73	10.23	-15.97
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012097120	0	37	0.0	-34.71	340.83	10.58	-24.13
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012097121	0	32	0.0	-31.74	313.77	7.82	-23.92
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012097122	0	32	0.0	-31.15	318.23	8.00	-23.15
CN1N=NC2=CC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012097123	0	38	0.0	-40.11	346.05	7.63	-32.48
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1CCCCCC1	REAL300012097124	0	42	0.0	-27.47	334.12	9.82	-17.65
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=C2O1	REAL300012097125	0	44	0.0	-24.49	378.10	10.30	-14.19
COC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=N1	REAL300012097126	0	36	0.0	-32.26	330.53	5.84	-26.42
CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012097127	0	43	0.0	-28.30	376.69	10.13	-18.17
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012097128	0	40	0.0	-37.40	360.42	10.38	-27.02
CC(C)N1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=N1	REAL300012097129	0	39	0.0	-30.38	346.40	8.42	-21.96
CC1=C(Br)SC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097130	0	33	0.0	-29.40	334.86	9.62	-19.78
CC1=NC2=CC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])C=C2C=C1	REAL300012097131	0	41	0.0	-35.04	366.09	10.19	-24.85
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012097132	0	35	0.0	-25.75	325.07	8.18	-17.57
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])C=C2)=C1	REAL300012097133	0	49	0.0	-31.19	420.40	13.96	-17.23
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300012097134	0	42	0.0	-37.93	372.34	12.67	-25.26
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012097135	0	36	0.0	-32.02	337.66	9.78	-22.24
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012097136	0	40	0.0	-35.95	366.43	9.73	-26.22
COCC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097137	0	40	0.0	-27.56	356.27	8.83	-18.73
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097138	0	46	0.0	-24.20	396.35	11.06	-13.14
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300012097139	0	43	0.0	-25.66	377.43	9.95	-15.71
COC1=CC(C)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012097140	0	44	0.0	-30.12	371.87	8.87	-21.25
CN1C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300012097141	0	39	0.0	-34.53	364.43	9.97	-24.56
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012097142	0	37	0.0	-26.89	350.00	8.01	-18.88
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012097143	0	43	0.0	-32.97	392.72	10.92	-22.05
CC1CCC2=C(C1)SC(C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-])=N2	REAL300012097144	0	42	0.0	-24.00	370.52	9.47	-14.53
CC(C)(C)C1CCC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])CC1	REAL300012097145	0	51	0.0	-29.35	384.85	11.26	-18.09
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C(C)O1	REAL300012097146	0	36	0.0	-28.40	325.14	8.80	-19.60
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012097147	0	44	0.0	-29.94	385.10	10.99	-18.95
COC1=CC(Cl)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300012097148	0	37	0.0	-27.61	359.51	9.49	-18.12
CC(C)CC1=NC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097149	0	41	0.0	-28.29	369.80	9.15	-19.14
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012097150	0	36	0.0	-29.79	360.28	9.32	-20.47
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012097151	0	36	0.0	-28.55	357.37	9.08	-19.47
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])S2)O1	REAL300012097152	0	39	0.0	-30.34	371.78	9.11	-21.23
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097153	0	36	0.0	-26.15	337.30	10.34	-15.81
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012097154	0	40	0.0	-40.29	357.38	9.26	-31.03
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012097155	0	42	0.0	-35.80	377.01	10.85	-24.95
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012097156	0	36	0.0	-28.48	346.19	10.14	-18.34
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097157	0	44	0.0	-25.04	384.82	8.66	-16.38
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012097158	0	36	0.0	-24.78	331.83	8.28	-16.50
CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300012097159	0	40	0.0	-24.87	364.10	9.44	-15.43
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097160	0	37	0.0	-30.87	331.56	8.48	-22.39
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012097161	0	40	0.0	-31.19	367.86	11.06	-20.13
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097162	0	41	0.0	-28.16	370.22	8.96	-19.20
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012097163	0	39	0.0	-30.86	346.57	8.34	-22.52
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012097164	0	33	0.0	-32.00	324.67	9.84	-22.16
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012097165	0	33	0.0	-31.93	320.11	9.73	-22.20
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012097166	0	40	0.0	-31.85	360.89	10.39	-21.46
CC(C)(C)N1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=N1	REAL300012097167	0	42	0.0	-32.53	364.80	9.00	-23.53
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC(C)=C1	REAL300012097168	0	39	0.0	-28.46	344.88	10.50	-17.96
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(CO)O1	REAL300012097169	0	34	0.0	-32.11	315.27	4.72	-27.39
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CS1	REAL300012097170	0	30	0.0	-28.08	293.61	8.29	-19.79
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097171	0	40	0.0	-38.03	358.43	8.06	-29.97
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1Cl	REAL300012097172	0	33	0.0	-26.42	310.90	9.52	-16.90
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012097173	0	35	0.0	-40.34	330.28	9.85	-30.49
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012097174	0	35	0.0	-37.33	331.60	9.89	-27.44
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012097175	0	39	0.0	-28.64	338.99	11.20	-17.44
CN(C)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097176	0	41	0.0	-29.82	355.90	9.65	-20.17
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097177	0	47	0.0	-29.15	398.51	11.53	-17.62
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012097178	0	33	0.0	-30.25	323.35	9.81	-20.44
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012097179	0	33	0.0	-30.32	318.79	9.70	-20.62
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC(OC)=C1OC	REAL300012097180	0	45	0.0	-34.28	395.29	8.34	-25.94
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012097181	0	33	0.0	-26.44	319.78	9.56	-16.88
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1	REAL300012097182	0	33	0.0	-31.47	309.79	9.29	-22.18
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012097183	0	37	0.0	-26.79	341.25	8.82	-17.97
COC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1OC	REAL300012097184	0	41	0.0	-24.60	359.99	8.36	-16.24
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012097185	0	33	0.0	-23.96	332.79	10.14	-13.82
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012097186	0	46	0.0	-30.60	386.07	8.01	-22.59
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012097187	0	41	0.0	-33.71	362.13	8.42	-25.29
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(OC)=C1	REAL300012097188	0	41	0.0	-30.95	359.67	7.84	-23.11
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012097189	0	36	0.0	-31.70	340.79	10.18	-21.52
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012097190	0	33	0.0	-33.23	314.04	9.27	-23.96
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012097191	0	33	0.0	-31.98	330.35	10.10	-21.88
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012097192	0	33	0.0	-33.44	335.30	10.19	-23.25
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012097193	0	37	0.0	-31.29	341.32	8.76	-22.53
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012097194	0	36	0.0	-30.83	329.69	10.16	-20.67
CCCCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097195	0	46	0.0	-30.51	396.41	10.99	-19.52
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097196	0	49	0.0	-30.44	413.98	11.51	-18.93
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097197	0	52	0.0	-30.97	440.73	12.59	-18.38
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012097198	0	44	0.0	-33.98	392.08	12.07	-21.91
COC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097199	0	37	0.0	-31.61	331.57	8.48	-23.13
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097200	0	40	0.0	-30.26	351.05	11.00	-19.26
CCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012097201	0	44	0.0	-32.05	382.67	9.30	-22.75
CC(C)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097202	0	42	0.0	-28.59	362.28	11.11	-17.48
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012097203	0	36	0.0	-34.01	342.11	10.22	-23.79
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(OC)=C1OC	REAL300012097204	0	45	0.0	-26.14	393.08	8.30	-17.84
CCOC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097205	0	40	0.0	-23.50	351.21	9.40	-14.10
CCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097206	0	40	0.0	-31.21	354.74	9.45	-21.76
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1F	REAL300012097207	0	33	0.0	-29.22	305.78	9.15	-20.07
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1	REAL300012097208	0	33	0.0	-32.41	308.47	9.25	-23.16
COC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097209	0	37	0.0	-23.95	329.36	8.46	-15.49
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])SC=C1	REAL300012097210	0	33	0.0	-26.41	310.89	8.87	-17.54
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012097211	0	43	0.0	-31.22	377.60	12.64	-18.58
CC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097212	0	36	0.0	-26.16	318.19	9.80	-16.36
COC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300012097213	0	43	0.0	-28.08	372.45	10.66	-17.42
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097214	0	36	0.0	-28.78	323.47	9.86	-18.92
N#CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097215	0	34	0.0	-35.60	324.23	9.62	-25.98
CSC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097216	0	37	0.0	-30.74	342.28	10.20	-20.54
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012097217	0	33	0.0	-25.46	328.50	9.94	-15.52
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097218	0	45	0.0	-32.03	388.87	7.75	-24.28
CC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097219	0	36	0.0	-29.32	324.79	9.89	-19.43
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC=C1	REAL300012097220	0	30	0.0	-28.66	292.04	8.12	-20.54
CCC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097221	0	39	0.0	-28.71	344.95	10.62	-18.09
CC1=CC(C)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012097222	0	42	0.0	-26.09	352.72	10.79	-15.30
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012097223	0	33	0.0	-29.59	314.02	9.27	-20.32
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012097224	0	33	0.0	-35.67	316.07	9.35	-26.32
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097225	0	33	0.0	-27.99	315.47	9.09	-18.90
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1Br	REAL300012097226	0	33	0.0	-25.71	312.96	9.59	-16.12
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1O	REAL300012097227	0	38	0.0	-34.51	342.32	6.32	-28.19
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097228	0	39	0.0	-28.82	341.91	7.88	-20.94
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097229	0	36	0.0	-29.01	340.21	7.82	-21.19
CCC1=NN(C)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097230	0	39	0.0	-32.46	347.27	8.35	-24.11
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012097231	0	36	0.0	-37.75	345.61	8.39	-29.36
CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012097232	0	45	0.0	-25.89	369.82	9.20	-16.69
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Cl)O1	REAL300012097233	0	30	0.0	-31.15	301.17	7.94	-23.21
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097234	0	45	0.0	-34.53	396.24	11.04	-23.49
CCOC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1OC	REAL300012097235	0	44	0.0	-24.23	382.68	9.39	-14.84
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OCC(N)=O	REAL300012097236	0	45	0.0	-43.44	399.40	6.34	-37.10
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097237	0	39	0.0	-24.66	356.98	9.94	-14.72
CC1=NOC(C)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097238	0	35	0.0	-31.58	319.19	7.97	-23.61
CC1=NC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CS1	REAL300012097239	0	32	0.0	-30.75	309.92	6.90	-23.85
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC2=C1OCO2	REAL300012097240	0	40	0.0	-33.30	357.65	7.12	-26.18
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012097241	0	39	0.0	-32.69	355.64	8.90	-23.79
COC1=CC2=C(C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-])OC(C)C2	REAL300012097242	0	45	0.0	-27.70	388.47	9.14	-18.56
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CS1	REAL300012097243	1	42	0.0	-41.64	382.45	9.05	-32.59
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012097244	0	40	0.0	-30.53	352.96	9.27	-21.26
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097245	0	42	0.0	-26.40	350.73	8.04	-18.36
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097246	0	41	0.0	-28.40	359.67	7.95	-20.45
COC1=CC=C(F)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097247	0	37	0.0	-28.05	337.39	8.55	-19.50
CSC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097248	0	34	0.0	-28.68	336.87	9.51	-19.17
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097249	0	46	0.0	-27.75	389.78	12.90	-14.85
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012097250	0	36	0.0	-33.17	328.08	7.83	-25.34
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(Cl)C=CS1	REAL300012097251	0	30	0.0	-24.48	308.87	8.73	-15.75
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097252	0	39	0.0	-38.11	364.08	6.75	-31.36
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097253	0	37	0.0	-30.05	337.92	8.66	-21.39
NC(=O)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097254	0	37	0.0	-39.29	337.93	6.01	-33.28
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1F	REAL300012097255	0	37	0.0	-32.93	337.80	8.55	-24.38
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097256	0	37	0.0	-29.47	348.26	9.10	-20.37
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=CS1	REAL300012097257	0	29	0.0	-28.90	288.12	6.43	-22.47
COC(=O)C1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CN1C	REAL300012097258	0	40	0.0	-31.86	361.47	9.37	-22.49
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300012097259	0	36	0.0	-29.02	338.85	10.32	-18.70
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1C	REAL300012097260	0	40	0.0	-30.21	351.64	9.22	-20.99
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC=N1	REAL300012097261	0	29	0.0	-30.91	287.98	6.19	-24.72
CC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1F	REAL300012097262	0	36	0.0	-24.62	329.25	9.85	-14.77
N#CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012097263	0	34	0.0	-37.96	329.77	9.63	-28.33
CC1=NNC(C)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097264	0	36	0.0	-30.95	321.73	6.69	-24.26
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012097265	0	32	0.0	-30.81	317.50	7.88	-22.93
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012097266	0	42	0.0	-29.98	377.04	6.50	-23.48
C#CCCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097267	0	42	0.0	-31.63	382.02	10.77	-20.86
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012097268	0	36	0.0	-34.35	328.18	9.61	-24.74
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])C=C12	REAL300012097269	0	41	0.0	-37.14	369.63	8.95	-28.19
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012097270	0	36	0.0	-30.04	337.65	8.33	-21.71
CCC1=NC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CS1	REAL300012097271	0	35	0.0	-25.83	330.09	7.65	-18.18
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012097272	0	36	0.0	-32.63	344.90	10.12	-22.51
CC1=NN(C)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097273	0	36	0.0	-32.79	325.79	7.61	-25.18
CCOCC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1OC	REAL300012097274	0	47	0.0	-28.32	405.65	9.39	-18.93
CCN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=N1	REAL300012097275	0	36	0.0	-34.19	327.73	7.89	-26.30
CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N=N1	REAL300012097276	0	32	0.0	-37.87	300.17	5.69	-32.18
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097277	0	37	0.0	-40.21	336.61	5.95	-34.26
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012097278	0	36	0.0	-34.36	338.41	8.60	-25.76
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1CCCCCCC1	REAL300012097279	0	45	0.0	-27.84	346.06	10.37	-17.47
CC1=CSC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=N1	REAL300012097280	0	32	0.0	-25.36	309.94	6.91	-18.45
COC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1F	REAL300012097281	0	37	0.0	-26.25	338.24	8.51	-17.74
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012097282	0	33	0.0	-26.42	325.26	9.70	-16.72
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012097283	0	40	0.0	-28.52	347.60	11.09	-17.43
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC=C1Br	REAL300012097284	0	30	0.0	-28.78	311.15	8.73	-20.05
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097285	0	46	0.0	-24.12	394.96	10.96	-13.16
CCN1N=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097286	0	36	0.0	-26.27	318.71	7.62	-18.65
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012097287	1	39	0.0	-25.03	351.89	8.92	-16.11
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012097288	0	33	0.0	-30.68	329.77	9.86	-20.82
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012097289	0	38	0.0	-33.38	343.07	9.66	-23.72
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012097290	0	33	0.0	-32.24	322.74	9.76	-22.48
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])SC=N1	REAL300012097291	0	32	0.0	-28.51	304.04	6.89	-21.62
COC1=CC(F)=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097292	0	37	0.0	-30.91	337.98	8.55	-22.36
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012097293	0	33	0.0	-35.14	329.55	9.85	-25.29
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=N1	REAL300012097294	0	43	0.0	-31.69	373.69	9.14	-22.55
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=CS1	REAL300012097295	0	33	0.0	-25.70	308.44	8.81	-16.89
CS(=O)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097296	0	38	0.0	-43.33	354.27	7.78	-35.55
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012097297	0	43	0.0	-29.23	366.08	11.71	-17.52
N#CC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=N1	REAL300012097298	0	33	0.0	-39.56	319.30	7.65	-31.91
COC(=O)C1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CN1	REAL300012097299	0	37	0.0	-39.57	345.04	7.66	-31.91
COCC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])O1	REAL300012097300	0	37	0.0	-31.16	337.53	7.12	-24.04
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=C1OC	REAL300012097301	0	44	0.0	-27.82	374.95	8.99	-18.83
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012097302	0	30	0.0	-24.16	324.34	9.18	-14.98
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097303	0	35	0.0	-28.61	317.55	7.86	-20.75
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097304	0	40	0.0	-29.24	351.61	9.21	-20.03
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CS1	REAL300012097305	0	33	0.0	-28.87	313.93	8.93	-19.94
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N=N1	REAL300012097306	0	34	0.0	-35.31	312.72	6.82	-28.49
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012097307	0	32	0.0	-30.46	327.29	7.52	-22.94
CN1N=NC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097308	0	32	0.0	-35.98	298.13	5.58	-30.40
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097309	0	39	0.0	-38.67	362.76	6.69	-31.98
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(Cl)=CS1	REAL300012097310	0	30	0.0	-27.65	310.46	8.81	-18.84
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012097311	0	46	0.0	-28.55	386.23	12.39	-16.16
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N(C)N=C1	REAL300012097312	0	36	0.0	-27.93	322.11	7.29	-20.64
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097313	0	36	0.0	-28.40	340.20	10.35	-18.05
COCC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097314	0	40	0.0	-31.23	358.45	8.96	-22.27
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012097316	0	40	0.0	-29.41	352.60	11.33	-18.08
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NC=C(Cl)S1	REAL300012097317	0	29	0.0	-24.61	303.05	6.87	-17.74
C=CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=N1	REAL300012097318	0	34	0.0	-31.98	317.99	8.23	-23.75
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012097319	0	43	0.0	-26.31	365.36	9.56	-16.75
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097320	0	43	0.0	-25.67	377.19	10.82	-14.85
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012097321	0	36	0.0	-30.90	334.24	10.05	-20.85
COC1=CC(C)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012097322	0	42	0.0	-28.20	359.12	6.81	-21.39
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097323	0	37	0.0	-26.52	344.28	8.95	-17.57
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097324	0	43	0.0	-25.76	364.16	9.68	-16.08
CC1=NC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N1C1=CC=CC=C1	REAL300012097325	0	43	0.0	-28.53	381.10	11.45	-17.08
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=NN1C	REAL300012097326	0	36	0.0	-29.30	320.75	7.42	-21.88
CCCN1N=C(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1C	REAL300012097327	0	45	0.0	-31.18	386.46	9.55	-21.63
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012097328	0	38	0.0	-32.86	345.38	8.88	-23.98
COCCN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=N1	REAL300012097329	0	40	0.0	-31.67	361.40	6.94	-24.73
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012097330	0	43	0.0	-29.31	369.14	11.81	-17.50
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012097331	0	43	0.0	-30.60	376.54	10.79	-19.81
CCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012097332	0	40	0.0	-35.78	360.94	9.53	-26.25
COC1=CC=CC2=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])C=CC=C12	REAL300012097333	0	43	0.0	-26.58	370.55	10.60	-15.98
N#CC1=CSC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097334	0	31	0.0	-35.05	313.33	8.71	-26.34
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1C#N	REAL300012097335	0	38	0.0	-37.52	353.10	8.94	-28.58
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097336	0	43	0.0	-27.40	372.26	10.88	-16.52
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012097337	0	32	0.0	-25.72	326.56	7.43	-18.29
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1C#N	REAL300012097338	0	37	0.0	-35.37	343.39	10.12	-25.25
CC1=CN=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097339	0	32	0.0	-24.53	307.90	7.05	-17.48
CC(C)CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=N1	REAL300012097340	0	42	0.0	-33.00	363.27	9.44	-23.56
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012097341	0	40	0.0	-24.39	344.23	11.11	-13.28
CC1=CC(Br)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097342	0	33	0.0	-27.32	334.94	9.67	-17.65
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097343	0	48	0.0	-36.35	411.76	11.88	-24.47
CCC1=CN=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097344	0	35	0.0	-24.27	329.39	7.83	-16.44
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012097345	0	44	0.0	-34.15	379.23	10.08	-24.07
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097346	0	40	0.0	-30.21	362.69	9.54	-20.67
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012097347	0	39	0.0	-33.62	372.92	10.48	-23.14
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097348	0	42	0.0	-31.70	366.01	9.00	-22.70
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012097349	0	42	0.0	-28.18	375.30	9.81	-18.37
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012097350	0	36	0.0	-27.72	339.11	8.74	-18.98
CC(C)C1=NC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097351	0	38	0.0	-28.33	352.35	8.49	-19.84
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012097352	0	36	0.0	-30.67	349.86	8.28	-22.39
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])C=C2)C=N1	REAL300012097353	0	43	0.0	-34.80	382.18	10.48	-24.32
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012097354	0	36	0.0	-33.81	339.40	8.14	-25.67
CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012097355	0	43	0.0	-30.82	388.01	10.37	-20.45
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N1	REAL300012097356	0	41	0.0	-37.09	360.99	7.35	-29.74
NC(=O)C1=CSC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097357	0	34	0.0	-32.19	329.70	5.05	-27.14
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097358	0	45	0.0	-30.97	388.26	9.44	-21.53
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012097359	0	39	0.0	-29.51	357.94	9.33	-20.18
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012097360	0	40	0.0	-28.94	364.95	7.34	-21.60
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N=N1	REAL300012097361	0	42	0.0	-36.74	372.18	9.74	-27.00
CN1N=C(Br)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097362	0	33	0.0	-33.15	325.72	7.29	-25.86
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])S2)C=N1	REAL300012097363	0	40	0.0	-31.07	375.16	9.80	-21.27
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012097364	0	45	0.0	-34.85	382.46	10.11	-24.74
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097365	0	40	0.0	-23.66	368.66	9.99	-13.67
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097366	0	39	0.0	-25.63	343.59	10.42	-15.21
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012097367	0	33	0.0	-30.62	331.87	10.02	-20.60
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012097368	0	33	0.0	-29.25	318.86	7.06	-22.19
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097369	0	44	0.0	-28.26	388.10	9.54	-18.72
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012097370	0	37	0.0	-29.09	353.36	9.10	-19.99
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012097371	0	40	0.0	-28.84	364.77	10.12	-18.72
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012097372	0	46	0.0	-29.35	400.48	10.99	-18.36
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012097373	0	46	0.0	-24.86	394.24	10.55	-14.31
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012097376	0	36	0.0	-26.51	336.00	8.52	-17.99
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012097377	0	39	0.0	-24.45	362.28	12.70	-11.75
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097378	0	43	0.0	-35.65	380.11	9.69	-25.96
COCCCN1N=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097379	0	43	0.0	-27.44	376.24	7.55	-19.89
CC1=CC(F)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(Cl)=C1	REAL300012097380	0	36	0.0	-25.02	341.98	10.21	-14.81
COCCOCC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097381	0	47	0.0	-32.18	412.60	9.14	-23.04
CSCC1=CN=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097382	0	36	0.0	-26.85	354.78	8.34	-18.51
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012097383	0	33	0.0	-31.86	320.87	9.15	-22.71
CCN1N=C(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=N1	REAL300012097384	0	38	0.0	-30.70	340.35	6.70	-24.00
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012097385	0	40	0.0	-29.73	352.60	11.32	-18.41
CC1=NN(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097386	0	36	0.0	-31.74	325.94	7.37	-24.37
N#CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012097387	0	34	0.0	-39.73	330.14	9.66	-30.07
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012097388	0	36	0.0	-33.14	342.99	8.33	-24.81
CC1=CC(F)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012097389	0	36	0.0	-26.27	334.07	9.86	-16.41
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])O1	REAL300012097390	0	43	0.0	-32.79	380.73	9.98	-22.81
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097391	0	42	0.0	-26.18	362.85	9.13	-17.05
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CN1	REAL300012097392	0	40	0.0	-29.83	360.93	8.20	-21.63
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097393	0	43	0.0	-31.61	384.08	11.06	-20.55
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097394	0	46	0.0	-29.66	403.21	11.65	-18.01
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097395	0	43	0.0	-36.85	380.00	11.18	-25.67
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097396	0	42	0.0	-25.02	357.27	10.96	-14.06
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012097397	0	40	0.0	-30.85	347.96	8.51	-22.34
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012097398	0	39	0.0	-28.72	352.83	8.80	-19.92
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012097399	0	35	0.0	-32.78	323.82	7.90	-24.88
COC1=CC(OC)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012097400	0	41	0.0	-31.51	365.88	7.92	-23.59
COC1=CC(F)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012097401	0	41	0.0	-32.17	366.61	8.44	-23.73
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(Cl)=C1	REAL300012097402	0	36	0.0	-29.28	336.58	10.31	-18.97
CCC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097403	0	39	0.0	-29.33	346.27	10.65	-18.68
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097404	0	46	0.0	-33.09	403.27	11.68	-21.41
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012097405	0	37	0.0	-33.51	337.12	8.49	-25.02
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012097406	0	40	0.0	-26.02	346.23	11.08	-14.94
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097407	0	37	0.0	-28.14	336.87	8.61	-19.53
CCCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012097408	0	46	0.0	-26.93	391.01	10.81	-16.12
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012097409	0	35	0.0	-32.11	335.48	8.93	-23.18
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C2CCCN2N=C1	REAL300012097410	0	37	0.0	-32.14	329.83	7.79	-24.35
CCC1=C2OC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CC2=CC=C1	REAL300012097411	0	42	0.0	-28.16	372.84	11.14	-17.02
C=CCCN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N=N1	REAL300012097412	0	39	0.0	-36.92	355.89	7.84	-29.08
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012097413	0	40	0.0	-28.76	356.27	9.20	-19.56
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012097414	0	41	0.0	-36.16	367.99	10.18	-25.98
CCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012097415	0	43	0.0	-27.16	369.51	10.00	-17.16
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012097416	0	37	0.0	-26.83	345.40	8.82	-18.01
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012097417	0	37	0.0	-30.09	347.68	8.93	-21.16
COC1=NC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097418	0	36	0.0	-24.59	326.98	5.88	-18.71
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012097419	0	46	0.0	-28.68	386.29	12.39	-16.29
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=N1	REAL300012097420	0	43	0.0	-27.26	383.80	8.09	-19.17
COCC1=CSC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097421	0	37	0.0	-28.92	348.88	8.02	-20.90
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012097422	0	39	0.0	-36.14	345.54	7.65	-28.49
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012097423	0	33	0.0	-33.11	332.68	9.32	-23.79
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012097424	0	33	0.0	-32.05	323.12	8.47	-23.58
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012097425	0	33	0.0	-23.29	323.78	9.20	-14.09
CN(C)C1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=CC(F)=C1F	REAL300012097426	0	41	0.0	-26.07	362.33	9.22	-16.85
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012097427	0	33	0.0	-28.14	328.59	9.71	-18.43
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012097428	0	45	0.0	-32.08	387.40	8.83	-23.25
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012097429	0	41	0.0	-29.28	366.62	8.69	-20.59
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097430	0	47	0.0	-28.84	402.90	10.85	-17.99
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012097431	0	33	0.0	-36.62	320.50	9.37	-27.25
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012097432	0	40	0.0	-31.77	370.29	9.47	-22.30
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OC1CC1	REAL300012097433	0	45	0.0	-32.65	391.85	10.05	-22.60
CCCN1N=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097434	0	39	0.0	-25.90	340.21	8.39	-17.51
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097435	0	36	0.0	-34.73	345.37	7.78	-26.95
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097436	0	47	0.0	-31.22	403.65	9.39	-21.83
CCCC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097437	0	39	0.0	-26.94	356.30	10.57	-16.37
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012097438	0	40	0.0	-31.63	370.75	11.84	-19.79
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012097439	0	46	0.0	-26.04	396.50	11.29	-14.75
CC(C)C1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097440	0	42	0.0	-28.71	362.28	11.10	-17.61
CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(Cl)=N1	REAL300012097441	0	33	0.0	-33.37	322.84	7.40	-25.97
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300012097442	0	49	0.0	-30.35	404.05	11.21	-19.14
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012097443	0	46	0.0	-29.14	394.44	12.73	-16.41
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=NC=C1Br	REAL300012097444	0	35	0.0	-30.40	336.01	8.46	-21.94
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012097445	0	34	0.0	-30.31	329.63	6.89	-23.42
CN1C=C(C2=NC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CS2)C=N1	REAL300012097446	0	39	0.0	-34.64	370.71	7.69	-26.95
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1Cl	REAL300012097447	0	37	0.0	-31.74	347.60	9.03	-22.71
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012097448	0	43	0.0	-27.35	373.92	9.75	-17.60
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012097449	0	39	0.0	-37.23	360.52	9.00	-28.23
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012097450	0	39	0.0	-27.10	350.33	10.68	-16.42
CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(Br)=N1	REAL300012097451	0	33	0.0	-32.29	326.89	7.48	-24.81
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012097452	0	36	0.0	-31.57	329.04	9.89	-21.68
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097453	0	40	0.0	-35.65	359.48	8.13	-27.52
CN1N=CC2=CC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CN=C21	REAL300012097454	0	38	0.0	-37.02	347.69	8.35	-28.67
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012097455	0	32	0.0	-26.19	322.87	7.91	-18.28
COC1=CC(Cl)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OC	REAL300012097456	0	41	0.0	-29.55	372.68	8.84	-20.71
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012097457	0	39	0.0	-31.90	363.04	10.97	-20.93
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097458	0	43	0.0	-28.71	367.56	9.17	-19.54
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C(C)N1	REAL300012097459	0	46	0.0	-35.29	403.72	9.61	-25.68
CC1=C(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CS1	REAL300012097460	0	36	0.0	-27.70	327.78	9.49	-18.21
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012097461	0	32	0.0	-34.45	320.98	7.91	-26.54
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(Br)SC=C1	REAL300012097462	0	30	0.0	-24.69	311.39	8.86	-15.83
CCOC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C(F)C=C1OC	REAL300012097463	0	44	0.0	-30.93	386.31	9.27	-21.66
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012097464	0	39	0.0	-27.07	347.73	11.28	-15.79
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CN=C1Br	REAL300012097465	0	32	0.0	-29.39	308.08	7.71	-21.68
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012097466	0	37	0.0	-24.93	352.28	9.03	-15.90
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097467	0	43	0.0	-29.38	376.39	10.16	-19.22
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097468	0	40	0.0	-30.63	359.83	9.47	-21.16
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012097469	0	47	0.0	-39.69	398.07	10.19	-29.50
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012097470	0	37	0.0	-33.13	346.87	8.77	-24.36
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097471	0	46	0.0	-31.57	382.46	10.32	-21.25
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097472	0	36	0.0	-29.53	328.90	10.17	-19.36
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C(F)C=C1C	REAL300012097473	0	40	0.0	-29.07	355.31	9.19	-19.88
CC1=CC=NC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1Br	REAL300012097474	0	35	0.0	-26.41	335.00	8.43	-17.98
COCCC1=NC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097476	0	39	0.0	-29.56	365.22	6.97	-22.59
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012097477	1	34	0.0	-27.24	323.47	6.45	-20.79
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097478	0	41	0.0	-30.29	366.92	8.82	-21.47
CCN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012097479	0	46	0.0	-29.55	403.13	11.18	-18.37
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012097480	0	41	0.0	-26.22	348.04	9.07	-17.15
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1C	REAL300012097481	0	49	0.0	-28.10	401.58	10.36	-17.74
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012097482	0	35	0.0	-36.08	329.83	9.73	-26.35
CC1=C(Br)C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097483	0	33	0.0	-26.34	333.79	9.61	-16.73
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012097484	0	38	0.0	-28.48	337.32	9.35	-19.13
CCCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012097485	0	46	0.0	-29.57	395.00	10.95	-18.62
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012097486	0	37	0.0	-33.52	339.43	7.63	-25.89
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097487	0	40	0.0	-27.44	357.40	9.48	-17.96
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012097488	0	38	0.0	-30.09	339.64	10.17	-19.92
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097489	0	41	0.0	-31.06	362.40	10.87	-20.19
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(F)=C1OC	REAL300012097490	0	41	0.0	-27.69	371.40	8.52	-19.17
COC(=O)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012097491	0	39	0.0	-27.70	361.55	9.79	-17.91
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012097492	0	43	0.0	-34.92	388.70	9.56	-25.36
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012097493	0	40	0.0	-26.50	364.21	9.72	-16.78
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012097494	0	32	0.0	-31.85	315.08	7.85	-24.00
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097495	0	40	0.0	-31.11	352.03	10.50	-20.61
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(CCF)N=C1	REAL300012097497	0	36	0.0	-34.45	333.00	7.98	-26.47
CCCC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097499	0	42	0.0	-28.59	366.45	11.40	-17.19
CC1=C2C=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])C=NC2=NN1	REAL300012097500	0	38	0.0	-37.13	345.13	7.70	-29.43
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NC=CS1	REAL300012097501	0	29	0.0	-24.67	285.99	6.25	-18.42
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097502	0	41	0.0	-37.41	375.65	5.89	-31.52
CN1N=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C2=CC=CC=C21	REAL300012097503	0	39	0.0	-25.68	351.15	9.03	-16.65
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012097504	0	36	0.0	-30.30	328.09	7.72	-22.58
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012097504	1	36	0.0	-30.42	330.45	7.82	-22.60
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097505	0	33	0.0	-30.90	334.67	8.40	-22.50
CCC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097506	0	36	0.0	-28.00	336.95	9.87	-18.13
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012097507	0	38	0.0	-29.39	338.94	9.39	-20.00
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012097508	0	39	0.0	-31.37	350.74	10.18	-21.19
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097509	0	53	0.0	-29.46	423.84	11.28	-18.18
CCC1=NC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097510	0	35	0.0	-27.68	329.39	7.82	-19.86
COC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])SC=C1	REAL300012097511	0	34	0.0	-25.69	323.49	7.59	-18.10
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012097512	0	39	0.0	-32.74	357.39	7.34	-25.40
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC=C1Cl	REAL300012097513	0	30	0.0	-29.75	308.04	8.63	-21.12
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097514	0	38	0.0	-28.09	358.60	8.38	-19.71
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097515	0	44	0.0	-32.80	398.38	9.65	-23.15
CCCC(C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012097516	0	45	0.0	-31.37	379.31	11.80	-19.57
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012097517	0	38	0.0	-26.78	355.79	10.07	-16.71
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1CC2CCC1C2	REAL300012097518	0	40	0.0	-29.70	327.34	9.81	-19.89
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)N=C1	REAL300012097519	0	32	0.0	-32.69	303.32	7.34	-25.35
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012097520	0	33	0.0	-31.31	334.22	9.49	-21.82
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1(C(F)F)CC1	REAL300012097521	0	33	0.0	-31.20	303.36	8.52	-22.68
CC1=CN=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N1C	REAL300012097522	0	36	0.0	-25.05	323.76	8.05	-17.00
CC(C)C1CCC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])CC1	REAL300012097523	0	48	0.0	-30.55	368.99	10.89	-19.66
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097524	0	47	0.0	-31.12	401.17	10.80	-20.32
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097525	0	43	0.0	-24.93	371.97	9.87	-15.06
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012097526	0	42	0.0	-30.89	374.21	10.75	-20.14
CCC1=NOC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097527	0	35	0.0	-29.04	320.72	7.95	-21.09
CN1N=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1Cl	REAL300012097528	0	33	0.0	-29.30	320.69	7.31	-21.99
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012097529	0	35	0.0	-37.17	326.01	6.67	-30.50
COC1=CC=C(N2C=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])C=N2)C=C1	REAL300012097530	0	44	0.0	-35.59	390.38	9.69	-25.90
CC1=CN=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097531	0	35	0.0	-28.40	313.52	8.03	-20.37
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012097532	0	35	0.0	-35.69	342.77	7.16	-28.53
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012097533	0	40	0.0	-30.19	351.24	11.26	-18.93
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NC=C1Br	REAL300012097534	0	32	0.0	-28.47	311.79	7.95	-20.52
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097535	0	36	0.0	-36.51	354.29	5.80	-30.71
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012097536	0	39	0.0	-26.43	346.77	9.87	-16.56
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(F)=C1	REAL300012097537	0	38	0.0	-39.82	361.81	4.17	-35.65
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097540	0	35	0.0	-27.57	330.41	8.39	-19.18
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097541	0	36	0.0	-31.95	340.35	7.79	-24.16
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097542	0	40	0.0	-28.65	354.09	8.84	-19.81
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097543	0	43	0.0	-27.39	366.98	9.22	-18.17
CC1=NC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N1C	REAL300012097544	0	36	0.0	-28.29	323.92	8.15	-20.14
CC1=C2C=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])NC2=CC=C1	REAL300012097545	0	40	0.0	-30.71	356.22	9.81	-20.90
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012097546	0	39	0.0	-29.08	354.63	8.36	-20.72
CC1=CC=C2C=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])NC2=C1	REAL300012097547	0	40	0.0	-30.56	356.64	9.82	-20.74
CC1=NC=CN=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097548	0	34	0.0	-32.10	309.03	5.99	-26.11
CCOC1=CN=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097549	0	39	0.0	-32.03	349.67	7.63	-24.40
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NC=C1Cl	REAL300012097550	0	32	0.0	-29.30	309.89	7.89	-21.41
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012097551	0	44	0.0	-28.69	378.52	7.80	-20.89
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012097552	0	36	0.0	-31.86	327.32	7.81	-24.05
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097553	0	41	0.0	-34.13	341.55	9.56	-24.57
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NC(F)=C1	REAL300012097554	0	32	0.0	-35.71	303.37	7.35	-28.36
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012097555	0	37	0.0	-30.60	333.43	9.21	-21.39
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012097556	0	36	0.0	-39.68	335.99	6.71	-32.97
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012097557	0	35	0.0	-32.91	332.80	8.31	-24.60
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097558	0	42	0.0	-32.21	375.22	9.65	-22.56
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012097559	0	43	0.0	-40.14	377.82	6.63	-33.51
COC1=CN=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1C	REAL300012097560	0	39	0.0	-29.04	342.61	7.28	-21.76
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012097561	0	46	0.0	-31.82	393.44	12.35	-19.47
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012097562	0	43	0.0	-38.66	378.37	6.77	-31.89
CCCN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N=N1	REAL300012097563	0	38	0.0	-37.28	343.07	7.29	-29.99
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097564	0	41	0.0	-27.61	360.15	9.28	-18.33
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012097565	0	37	0.0	-32.65	334.73	9.83	-22.82
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012097566	0	38	0.0	-38.80	349.48	9.62	-29.18
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012097567	0	46	0.0	-32.16	388.98	12.20	-19.96
CC1=NSC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097568	0	32	0.0	-31.58	309.94	7.59	-23.99
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097569	0	38	0.0	-37.89	357.62	4.18	-33.71
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012097571	0	36	0.0	-30.28	329.92	6.41	-23.87
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012097573	0	42	0.0	-25.35	356.34	9.72	-15.63
CC1=NN(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1Cl	REAL300012097574	0	36	0.0	-26.53	342.47	7.87	-18.66
CN1C=CC(C2=NC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CS2)=N1	REAL300012097575	0	39	0.0	-38.23	370.82	7.58	-30.65
CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C2CCCC2)=N1	REAL300012097576	0	46	0.0	-28.03	391.68	10.09	-17.94
CC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1Br	REAL300012097577	0	36	0.0	-22.21	335.69	10.22	-11.99
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012097578	0	41	0.0	-31.27	357.08	9.85	-21.42
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097579	0	43	0.0	-39.56	374.24	9.03	-30.53
CCC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(Cl)=NN1	REAL300012097580	0	36	0.0	-31.38	336.22	7.41	-23.97
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012097581	0	37	0.0	-26.14	349.75	8.18	-17.96
CCC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=NO1	REAL300012097582	0	38	0.0	-30.30	338.08	8.80	-21.50
CCN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N=N1	REAL300012097583	0	35	0.0	-36.72	319.44	6.45	-30.27
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C2CCCCC2=N1	REAL300012097584	0	45	0.0	-28.30	375.95	10.36	-17.94
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012097585	0	48	0.0	-22.23	387.16	10.86	-11.37
CCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])O1	REAL300012097586	0	37	0.0	-30.41	338.98	8.70	-21.71
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012097587	0	32	0.0	-34.12	326.85	7.21	-26.91
CCN1C=NC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097588	0	36	0.0	-33.03	327.24	9.35	-23.68
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CN=C1F	REAL300012097589	0	35	0.0	-34.90	323.70	7.96	-26.94
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097590	0	35	0.0	-30.44	317.75	7.89	-22.55
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012097591	0	36	0.0	-32.93	341.27	10.14	-22.79
COC(=O)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1C	REAL300012097592	0	42	0.0	-34.69	374.22	10.42	-24.27
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012097593	0	40	0.0	-27.36	347.65	9.08	-18.28
CC1=C(Cl)C=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1Cl	REAL300012097594	0	36	0.0	-22.82	346.70	10.57	-12.25
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097595	0	34	0.0	-30.19	339.60	10.18	-20.01
CC1CC2=CC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CC=C2O1	REAL300012097596	0	41	0.0	-30.71	358.95	9.76	-20.95
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012097597	0	36	0.0	-30.25	335.11	6.68	-23.57
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012097598	0	38	0.0	-25.15	339.13	9.00	-16.15
CSCC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097599	0	40	0.0	-30.67	368.18	11.07	-19.60
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012097600	0	43	0.0	-33.51	374.32	9.93	-23.58
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097601	0	41	0.0	-30.39	358.65	6.79	-23.60
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097602	0	40	0.0	-29.79	349.26	8.63	-21.16
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012097603	0	40	0.0	-29.89	350.84	8.97	-20.92
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012097604	0	40	0.0	-29.76	350.20	8.97	-20.79
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097605	0	46	0.0	-27.19	403.47	10.66	-16.53
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097606	0	43	0.0	-28.07	387.86	10.14	-17.93
COC1=CC=C(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097607	0	40	0.0	-27.55	344.34	9.03	-18.52
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=C21	REAL300012097608	0	39	0.0	-29.14	339.61	10.35	-18.79
CCC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097609	0	39	0.0	-24.68	334.62	10.39	-14.29
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097610	0	43	0.0	-39.10	374.44	9.07	-30.03
CC1=CC(F)=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097611	0	36	0.0	-28.91	329.88	9.92	-18.99
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=C1C	REAL300012097612	0	42	0.0	-26.14	352.92	10.90	-15.24
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097613	0	43	0.0	-38.91	381.34	8.35	-30.56
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097614	0	45	0.0	-24.36	346.53	11.07	-13.29
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012097615	0	43	0.0	-27.22	359.38	9.59	-17.63
COC1=CC=C2SC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CC2=C1	REAL300012097616	0	40	0.0	-29.45	368.14	9.93	-19.52
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CON=C1C1CC1	REAL300012097617	0	36	0.0	-28.08	329.35	8.71	-19.37
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097618	0	49	0.0	-38.63	414.39	10.96	-27.67
CCN1CCC2=CC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012097619	0	45	0.0	-30.07	382.68	9.85	-20.22
CCN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097620	0	46	0.0	-39.06	396.25	10.08	-28.98
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=NN1C(C)C	REAL300012097621	0	42	0.0	-28.57	363.17	8.99	-19.58
CSC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300012097622	0	37	0.0	-33.44	357.29	10.65	-22.79
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1C1CC1	REAL300012097623	0	43	0.0	-28.63	369.09	11.80	-16.83
CCOC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=N1	REAL300012097624	0	39	0.0	-34.01	352.33	6.86	-27.15
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1C1CC1	REAL300012097625	0	43	0.0	-28.80	369.82	11.85	-16.95
CC1=NN(C2=CC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])C(C)=C2)C=C1	REAL300012097626	0	46	0.0	-29.68	396.31	11.49	-18.19
COC(=O)C1=CC2=C(C=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])O2)N1	REAL300012097627	0	40	0.0	-36.48	371.95	7.98	-28.50
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])O1	REAL300012097628	0	34	0.0	-29.76	314.96	7.68	-22.08
COCCOC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])O1	REAL300012097629	0	41	0.0	-31.37	370.44	7.86	-23.51
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097630	0	45	0.0	-31.04	384.71	9.46	-21.58
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NN(CCF)C=C1	REAL300012097631	0	36	0.0	-29.22	334.38	7.93	-21.29
CCN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012097632	0	39	0.0	-27.55	345.22	8.36	-19.19
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012097633	0	49	0.0	-27.18	409.75	13.66	-13.52
CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012097634	0	40	0.0	-27.52	356.08	9.09	-18.43
COC(=O)C1=C2COCCN2C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097635	0	45	0.0	-31.05	396.78	8.55	-22.50
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097636	0	40	0.0	-28.64	355.68	8.85	-19.79
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097637	0	43	0.0	-31.98	374.11	12.15	-19.83
CC(C)C1=NOC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097638	0	38	0.0	-28.78	341.59	8.47	-20.31
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012097639	0	37	0.0	-24.55	349.35	7.74	-16.81
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012097640	0	43	0.0	-31.11	373.48	5.56	-25.55
COC1=NC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1F	REAL300012097641	0	36	0.0	-26.15	333.87	5.86	-20.29
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012097642	0	33	0.0	-36.29	320.74	9.14	-27.15
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012097643	0	45	0.0	-28.09	387.31	10.74	-17.35
CC1=C(C)SC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=N1	REAL300012097644	0	35	0.0	-24.54	326.67	7.56	-16.98
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012097645	0	42	0.0	-38.14	379.36	9.45	-28.69
CC1=CC(Br)=CN=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097646	0	35	0.0	-30.21	335.91	8.52	-21.69
CC1OC2=CC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])C=C2C1C	REAL300012097647	0	44	0.0	-31.81	376.80	10.33	-21.48
CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OC(F)F	REAL300012097648	0	40	0.0	-29.33	362.72	9.55	-19.78
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSN=C1	REAL300012097649	0	29	0.0	-30.94	286.57	6.82	-24.12
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097650	0	45	0.0	-24.44	373.68	11.63	-12.81
CN1N=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1S(C)(=O)=O	REAL300012097651	0	39	0.0	-40.15	348.98	5.12	-35.03
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300012097652	0	36	0.0	-29.93	338.93	6.96	-22.97
CC(C)CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N=N1	REAL300012097653	0	41	0.0	-37.03	358.77	7.93	-29.10
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012097654	0	36	0.0	-25.21	339.19	8.41	-16.80
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012097655	0	33	0.0	-31.84	324.42	6.52	-25.32
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012097656	0	38	0.0	-33.34	339.24	9.06	-24.28
CN1C=C(Cl)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=N1	REAL300012097657	0	33	0.0	-28.65	322.80	7.39	-21.26
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=CS1	REAL300012097658	0	36	0.0	-44.46	347.13	6.04	-38.42
CSC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097659	0	37	0.0	-31.63	342.28	10.19	-21.44
CC(C)C1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])N(C)N=C1	REAL300012097660	0	42	0.0	-28.33	365.48	8.69	-19.64
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC(C)=N1	REAL300012097661	0	38	0.0	-31.71	341.49	8.67	-23.04
CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012097662	0	43	0.0	-29.61	389.25	10.45	-19.16
CCCN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012097663	0	42	0.0	-27.32	366.71	9.12	-18.20
CCN1C=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=N1	REAL300012097664	0	36	0.0	-28.13	326.47	7.76	-20.37
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012097665	0	35	0.0	-32.29	323.83	7.83	-24.46
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012097667	0	40	0.0	-27.06	366.41	11.36	-15.70
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012097668	0	41	0.0	-30.90	363.93	10.19	-20.71
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012097669	0	37	0.0	-32.15	353.62	8.98	-23.17
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012097670	0	46	0.0	-31.05	395.79	12.18	-18.87
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])C=C2)C=N1	REAL300012097671	0	46	0.0	-35.67	402.91	12.92	-22.75
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097672	0	40	0.0	-40.55	358.54	7.45	-33.10
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012097673	0	47	0.0	-28.30	397.02	13.21	-15.09
CCNC(=O)C1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097675	0	43	0.0	-40.56	381.35	8.34	-32.22
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300012097676	0	39	0.0	-30.23	355.04	10.30	-19.93
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012097677	0	40	0.0	-28.53	348.32	8.01	-20.52
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097678	0	43	0.0	-29.23	381.03	10.23	-19.00
CCCN1C=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=N1	REAL300012097679	0	39	0.0	-28.27	349.29	8.55	-19.72
CC(C)N1C=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=N1	REAL300012097680	0	39	0.0	-30.14	344.30	8.20	-21.94
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097681	0	44	0.0	-30.99	373.47	9.68	-21.31
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012097682	0	36	0.0	-31.89	344.34	8.25	-23.64
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012097683	0	43	0.0	-25.72	376.12	11.23	-14.49
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097685	0	36	0.0	-26.00	346.01	6.38	-19.62
CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300012097686	0	36	0.0	-36.68	333.88	7.81	-28.87
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012097687	0	36	0.0	-35.26	339.21	10.09	-25.17
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012097688	0	41	0.0	-26.29	347.94	9.09	-17.20
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097689	0	40	0.0	-29.28	370.10	10.02	-19.26
COC1=NN(C)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097690	0	37	0.0	-35.73	337.78	4.92	-30.81
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012097691	0	37	0.0	-26.13	342.78	6.51	-19.62
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012097692	0	40	0.0	-28.12	363.96	9.02	-19.10
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012097693	0	40	0.0	-27.44	346.35	10.00	-17.44
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012097694	0	35	0.0	-38.15	338.01	9.96	-28.19
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012097695	0	46	0.0	-29.83	388.04	10.27	-19.56
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012097696	0	40	0.0	-30.88	375.93	10.66	-20.22
CN(CCO)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=N1	REAL300012097698	0	44	0.0	-31.28	381.64	6.75	-24.53
COC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300012097699	0	49	0.0	-24.09	397.04	10.92	-13.17
CN1C=C(Br)N=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097700	0	33	0.0	-34.38	323.42	7.98	-26.40
COC1=CC(C)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=N1	REAL300012097701	0	39	0.0	-29.52	345.67	6.50	-23.02
COC1=CC(C)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1O	REAL300012097702	0	41	0.0	-30.27	356.26	6.84	-23.43
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012097703	0	39	0.0	-40.12	357.97	8.22	-31.90
CN1C(=O)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300012097704	0	42	0.0	-39.83	369.84	9.96	-29.87
COC1=NC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1C	REAL300012097705	0	39	0.0	-31.10	348.51	6.49	-24.61
CCCN1C=NC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097706	0	39	0.0	-30.14	336.26	9.92	-20.22
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CNC1=O	REAL300012097707	0	33	0.0	-41.15	307.00	6.09	-35.06
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012097708	0	40	0.0	-38.23	360.49	9.17	-29.06
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012097709	0	46	0.0	-28.63	393.18	12.70	-15.93
CCC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=NN1CC	REAL300012097710	0	42	0.0	-28.18	362.75	9.15	-19.03
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012097711	0	33	0.0	-28.24	328.86	9.72	-18.52
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012097712	0	37	0.0	-29.76	334.97	7.64	-22.12
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012097713	0	37	0.0	-34.92	345.76	8.73	-26.19
COC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=CS1	REAL300012097714	0	34	0.0	-24.92	324.90	7.60	-17.32
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300012097715	0	36	0.0	-24.91	340.45	8.93	-15.98
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097716	0	39	0.0	-31.95	355.27	10.70	-21.25
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012097717	0	39	0.0	-31.11	364.99	9.96	-21.15
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=N1	REAL300012097718	0	40	0.0	-28.34	363.62	6.88	-21.46
CCCN1N=C(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1Cl	REAL300012097719	0	42	0.0	-28.49	383.52	9.45	-19.04
CC(C)(C#N)C1=NC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])S1	REAL300012097720	0	39	0.0	-33.09	370.06	8.49	-24.60
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012097721	0	33	0.0	-30.95	318.41	9.30	-21.65
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012097722	0	40	0.0	-30.97	368.95	11.65	-19.32
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097723	0	42	0.0	-29.32	365.32	8.01	-21.31
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012097724	0	39	0.0	-29.73	355.67	11.70	-18.03
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012097725	0	50	0.0	-23.89	412.86	12.01	-11.88
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097726	0	40	0.0	-24.73	348.34	10.97	-13.76
CCN1CCCC2=CC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=CC=C21	REAL300012097727	0	48	0.0	-28.87	391.28	10.32	-18.55
COCC1=CN=C(OC)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097728	0	43	0.0	-29.80	383.25	5.73	-24.07
CN1N=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1Br	REAL300012097729	0	33	0.0	-28.47	324.83	7.39	-21.08
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC=CC1=CC=CC=C1	REAL300012097730	0	37	0.0	-32.92	334.43	10.51	-22.41
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN=NN1C1CC1	REAL300012097731	0	36	0.0	-29.84	329.86	7.21	-22.63
COCC1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097732	0	40	0.0	-25.60	347.68	8.95	-16.65
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012097733	0	37	0.0	-32.40	359.78	10.68	-21.72
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012097734	0	46	0.0	-32.35	395.24	9.85	-22.50
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012097735	0	41	0.0	-30.10	355.77	9.27	-20.83
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(CCO)N=C1	REAL300012097736	0	37	0.0	-34.60	337.83	4.49	-30.11
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300012097737	0	39	0.0	-29.58	361.90	11.20	-18.38
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012097738	0	39	0.0	-32.90	355.83	7.27	-25.63
COC1=CC=C(F)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1OC	REAL300012097739	0	41	0.0	-28.85	367.69	8.52	-20.33
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC=CC1=CC=NC=C1	REAL300012097740	0	36	0.0	-35.92	329.44	8.75	-27.17
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=N1	REAL300012097741	0	40	0.0	-31.93	361.14	7.05	-24.88
C=CC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097742	0	37	0.0	-29.19	333.18	10.27	-18.92
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012097743	0	47	0.0	-31.87	402.98	11.58	-20.29
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097744	0	39	0.0	-31.19	341.80	10.63	-20.56
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC=C1OCCO	REAL300012097745	0	45	0.0	-34.59	394.04	6.22	-28.37
CCN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C2CC2)=N1	REAL300012097746	0	43	0.0	-31.68	377.57	10.00	-21.68
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1OCCO	REAL300012097747	0	45	0.0	-35.31	394.04	6.22	-29.09
CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012097748	0	43	0.0	-27.98	387.61	8.12	-19.86
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097749	0	41	0.0	-34.96	349.71	8.93	-26.03
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012097750	0	38	0.0	-33.08	343.06	9.66	-23.42
CC1=CC2=CC=CC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=C2O1	REAL300012097751	0	39	0.0	-25.42	352.59	10.34	-15.08
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012097752	0	36	0.0	-35.50	337.18	10.28	-25.22
COC1=CSC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1OC	REAL300012097753	0	38	0.0	-30.58	356.15	7.26	-23.32
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CON=C1C1CCC1	REAL300012097754	0	39	0.0	-32.61	348.08	9.30	-23.31
CS(=O)(=O)C1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])SC=C1	REAL300012097755	0	36	0.0	-31.66	342.03	6.26	-25.40
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097756	0	36	0.0	-37.22	347.18	4.77	-32.45
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012097757	0	36	0.0	-34.01	346.36	10.21	-23.80
CC(C)OC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1F	REAL300012097758	0	43	0.0	-35.70	378.89	10.15	-25.55
CCN1C=C(Cl)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=N1	REAL300012097759	0	36	0.0	-28.54	344.34	8.25	-20.29
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012097760	0	33	0.0	-34.93	329.95	9.78	-25.15
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012097761	0	36	0.0	-32.23	335.57	10.08	-22.15
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012097762	0	39	0.0	-33.45	353.90	11.48	-21.97
CS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097763	0	36	0.0	-33.75	353.44	5.71	-28.04
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CSC(Cl)=C1	REAL300012097764	0	30	0.0	-31.08	309.06	8.74	-22.34
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=NN1C1CCC1	REAL300012097765	0	43	0.0	-30.75	371.07	9.66	-21.09
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012097766	0	40	0.0	-32.43	378.94	10.96	-21.47
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097767	0	46	0.0	-27.11	391.03	10.26	-16.85
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012097768	0	36	0.0	-29.34	337.35	7.87	-21.47
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097769	0	43	0.0	-31.45	382.80	9.91	-21.54
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012097770	0	36	0.0	-33.90	342.69	10.55	-23.35
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012097771	0	32	0.0	-28.15	316.58	7.78	-20.37
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012097772	0	40	0.0	-32.46	367.30	10.46	-22.00
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097773	0	40	0.0	-26.06	355.90	7.27	-18.79
COC1=NC(C)=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=C1Cl	REAL300012097774	0	42	0.0	-29.50	372.71	7.29	-22.21
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097775	0	42	0.0	-34.04	376.97	9.51	-24.53
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012097776	0	40	0.0	-31.10	349.47	8.76	-22.34
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012097777	0	36	0.0	-33.01	340.76	8.05	-24.96
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012097778	0	37	0.0	-30.76	349.30	8.66	-22.10
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097779	0	49	0.0	-30.51	405.68	10.80	-19.71
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012097780	0	44	0.0	-31.21	378.81	7.87	-23.34
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097781	0	47	0.0	-28.82	398.38	8.40	-20.42
CC1=CN(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=N1	REAL300012097782	0	36	0.0	-25.34	324.94	8.15	-17.19
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012097783	0	43	0.0	-30.44	369.12	9.53	-20.91
NS(=O)(=O)C1=CSC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097784	0	35	0.0	-33.38	346.96	3.12	-30.26
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012097785	0	32	0.0	-25.24	327.06	8.19	-17.05
CC1=NSC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097786	0	32	0.0	-27.48	302.09	7.32	-20.16
CC1=NN(C2CCCC2)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097787	0	46	0.0	-30.60	386.71	10.19	-20.41
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012097788	0	36	0.0	-29.30	326.38	10.13	-19.17
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012097789	0	36	0.0	-37.71	329.64	7.93	-29.78
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012097790	0	33	0.0	-35.39	330.39	9.80	-25.59
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097791	0	36	0.0	-30.59	320.15	9.77	-20.82
CN1C=C(C2=CC=CC(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])=C2)C=N1	REAL300012097792	0	43	0.0	-30.81	381.33	10.40	-20.41
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012097793	0	43	0.0	-39.90	388.63	11.59	-28.31
CC1=CC=C(Br)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097794	0	36	0.0	-27.16	336.16	10.36	-16.80
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097795	0	38	0.0	-36.61	353.13	9.05	-27.56
COC1=NC2=CC=C(C[NH2+]C(CC3=CSC(Cl)=C3)C(=O)[O-])C=C2S1	REAL300012097796	0	39	0.0	-32.99	367.79	7.04	-25.95
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012097797	0	32	0.0	-34.32	318.41	7.91	-26.41
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012097798	0	33	0.0	-27.15	332.39	10.05	-17.10
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097799	0	35	0.0	-28.69	330.16	8.41	-20.28
CC(C)(C)COC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097800	0	49	0.0	-31.38	415.18	11.56	-19.82
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097801	0	37	0.0	-30.17	348.30	8.99	-21.18
COC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CC(F)=C1F	REAL300012097802	0	37	0.0	-36.37	344.08	8.61	-27.76
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097803	0	39	0.0	-26.06	346.45	7.30	-18.76
CC(C)N1C=NC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097804	0	39	0.0	-32.41	346.86	9.74	-22.67
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097805	0	40	0.0	-28.11	364.21	6.68	-21.43
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C2CC2)=NO1	REAL300012097806	0	39	0.0	-28.67	352.65	9.62	-19.05
COC(=O)C1=C(C)NC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1C	REAL300012097807	0	43	0.0	-31.47	386.07	8.93	-22.54
CC(C)OC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])O1	REAL300012097808	0	40	0.0	-30.21	359.28	9.41	-20.80
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012097809	0	36	0.0	-29.18	342.14	8.24	-20.94
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097810	0	34	0.0	-36.35	330.65	9.67	-26.68
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012097811	0	49	0.0	-29.06	405.23	13.03	-16.03
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097812	0	41	0.0	-34.79	361.48	9.84	-24.95
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])SC(Br)=C1	REAL300012097813	0	33	0.0	-28.03	333.78	9.60	-18.43
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097814	0	43	0.0	-27.89	371.18	9.54	-18.35
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=NN1CC(F)F	REAL300012097815	0	39	0.0	-31.23	357.27	8.62	-22.61
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012097816	0	41	0.0	-33.87	372.57	9.56	-24.31
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097817	0	42	0.0	-28.87	385.74	9.45	-19.42
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097818	0	40	0.0	-29.26	364.23	8.36	-20.90
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012097819	0	46	0.0	-30.56	404.86	13.64	-16.92
CCCCC(=O)NC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097820	0	49	0.0	-37.63	421.73	10.43	-27.20
COC1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=N1	REAL300012097821	0	39	0.0	-28.48	345.47	6.46	-22.02
CCN(C)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C)=C1	REAL300012097822	0	47	0.0	-25.47	389.30	11.07	-14.40
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012097823	0	30	0.0	-30.54	324.84	9.26	-21.28
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097824	0	54	0.0	-23.88	427.67	11.13	-12.75
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=NS1	REAL300012097825	0	32	0.0	-28.81	303.96	7.52	-21.29
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097826	0	44	0.0	-27.42	379.77	8.55	-18.87
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=NO1	REAL300012097827	0	32	0.0	-29.90	298.60	7.47	-22.43
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012097828	0	36	0.0	-31.12	330.04	10.00	-21.12
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012097829	0	36	0.0	-30.76	338.99	10.55	-20.21
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012097830	0	42	0.0	-33.08	371.48	10.85	-22.23
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC=C1CO	REAL300012097831	0	37	0.0	-27.18	325.43	6.55	-20.63
CC1=NSC(C)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097832	0	35	0.0	-28.35	322.53	7.96	-20.39
CC(C)(C)C1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=NO1	REAL300012097833	0	41	0.0	-26.86	345.65	9.15	-17.71
CC1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1C(F)(F)F	REAL300012097834	0	39	0.0	-31.47	346.12	10.71	-20.76
C=CCN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=N1	REAL300012097835	0	37	0.0	-34.13	340.53	8.45	-25.68
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012097836	0	36	0.0	-36.60	328.31	7.89	-28.71
CCC(C)C1=CC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=C1	REAL300012097837	0	45	0.0	-28.60	380.73	11.77	-16.83
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012097838	0	40	0.0	-26.41	363.00	7.82	-18.59
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097839	0	46	0.0	-26.31	404.91	11.78	-14.53
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=N1	REAL300012097840	0	38	0.0	-31.92	350.31	9.05	-22.87
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012097841	0	43	0.0	-25.88	358.71	11.55	-14.33
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097842	0	40	0.0	-31.90	363.88	11.12	-20.78
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012097843	0	36	0.0	-25.89	344.69	10.12	-15.77
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012097844	0	39	0.0	-41.26	355.75	9.13	-32.13
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012097845	0	42	0.0	-26.60	358.19	11.84	-14.76
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097846	0	51	0.0	-30.33	425.27	10.77	-19.56
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097847	0	41	0.0	-26.24	364.30	8.59	-17.65
CC1=NC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C(C)S1	REAL300012097848	0	35	0.0	-22.72	325.69	7.49	-15.23
O=C([O-])C(CC1=CSC(Cl)=C1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012097849	0	46	0.0	-30.72	389.67	6.19	-24.53
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097850	0	45	0.0	-27.94	390.51	7.84	-20.10
CCCN1N=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1C	REAL300012097851	0	42	0.0	-30.05	365.88	8.97	-21.08
CC1=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012097852	0	41	0.0	-25.64	355.68	10.21	-15.43
CC1=CC(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300012097853	0	42	0.0	-34.52	374.95	10.54	-23.98
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])=C1	REAL300012097854	0	40	0.0	-30.72	365.28	9.31	-21.41
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CSC(Cl)=C1)C(=O)[O-]	REAL300012097855	0	42	0.0	-28.69	361.17	8.97	-19.72
CN1C=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300012097856	0	43	0.0	-28.14	374.55	9.61	-18.53
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CSC(Cl)=C2)C(=O)[O-])O1	REAL300012097857	1	41	0.0	-30.53	362.56	6.67	-23.86
CC1=CC=C(N2C=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C(C(C)(C)C)=N2)C=C1	REAL300012097858	0	58	0.0	-66.45	440.77	11.89	-54.56
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012097859	0	41	0.0	-69.88	338.74	8.18	-61.70
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OCC1=CC=CC=C1	REAL300012097860	0	54	0.0	-70.77	438.12	11.00	-59.77
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012097861	0	46	0.0	-67.39	401.39	9.64	-57.75
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(C)(C)C)C=C1	REAL300012097862	0	48	0.0	-63.55	373.81	10.15	-53.40
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012097863	0	43	0.0	-70.51	353.84	7.67	-62.84
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Br)O1	REAL300012097864	0	33	0.0	-68.73	300.06	6.68	-62.05
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012097865	0	46	0.0	-69.22	376.85	9.55	-59.67
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(CCC#N)N=C1C1=CC=CC=C1	REAL300012097866	0	50	0.0	-70.27	419.53	10.34	-59.93
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OC(F)F	REAL300012097867	0	44	0.0	-72.22	366.12	7.30	-64.92
CCCOC1=CC=C(Br)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012097868	0	46	0.0	-61.39	390.41	9.53	-51.86
CCOC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OC	REAL300012097869	0	47	0.0	-69.45	378.22	7.94	-61.51
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012097870	0	50	0.0	-58.43	407.48	11.18	-47.25
CCCCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012097871	0	52	0.0	-69.36	417.50	10.18	-59.18
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012097872	0	45	0.0	-70.69	390.10	10.14	-60.55
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012097873	0	45	0.0	-73.15	390.07	10.12	-63.03
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1Br	REAL300012097874	0	40	0.0	-66.97	347.53	7.79	-59.18
CC(C)OC1=CC=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012097875	0	46	0.0	-58.44	365.51	8.75	-49.69
CCCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012097876	0	53	0.0	-69.12	421.21	9.52	-59.60
CCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012097877	0	50	0.0	-69.08	399.71	8.74	-60.34
C=CCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012097878	0	48	0.0	-69.54	391.12	8.52	-61.02
CCCCCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012097879	0	59	0.0	-68.91	464.21	11.09	-57.82
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012097880	0	43	0.0	-67.42	378.62	9.96	-57.46
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012097881	0	43	0.0	-65.58	378.78	10.01	-55.57
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012097882	0	43	0.0	-66.71	386.22	10.87	-55.84
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012097883	0	46	0.0	-73.81	385.89	9.23	-64.58
CCC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C2=CC=CC=C2O1	REAL300012097884	0	45	0.0	-69.53	366.76	9.52	-60.01
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012097885	0	45	0.0	-68.78	385.98	10.76	-58.02
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012097886	0	42	0.0	-64.78	372.91	8.45	-56.33
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012097887	0	40	0.0	-60.20	342.21	7.69	-52.51
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012097888	0	40	0.0	-69.62	358.04	9.03	-60.59
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C([N+](=O)[O-])C=C1O	REAL300012097889	0	43	0.0	-63.78	354.51	5.41	-58.37
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(Cl)=C1	REAL300012097890	0	40	0.0	-60.57	339.79	7.56	-53.01
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012097891	0	40	0.0	-70.22	347.64	7.36	-62.86
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012097892	0	45	0.0	-72.36	397.67	11.01	-61.35
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012097893	0	45	0.0	-67.82	398.25	11.08	-56.74
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012097894	0	43	0.0	-67.62	360.57	7.73	-59.89
CC1=CC=C(C2=NNC=C2C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012097895	0	46	0.0	-70.19	375.41	8.36	-61.83
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012097896	0	40	0.0	-70.88	341.57	6.60	-64.28
COC1=CC=C(C2=NNC=C2C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012097897	0	47	0.0	-66.31	383.65	6.97	-59.34
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012097898	0	39	0.0	-66.60	334.51	9.20	-57.40
CCOC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=NN1CC(C)C	REAL300012097899	0	55	0.0	-63.82	437.85	8.12	-55.70
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012097900	0	42	0.0	-70.01	347.69	8.06	-61.95
CC1=CC=C(C2=CC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)O2)C=C1	REAL300012097901	0	46	0.0	-66.80	383.29	10.12	-56.68
CC1=CC=C(C2=NNC=C2C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)O1	REAL300012097902	0	43	0.0	-64.52	364.90	6.57	-57.95
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012097903	0	42	0.0	-81.66	353.09	5.67	-75.99
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012097904	0	49	0.0	-69.87	398.54	6.82	-63.05
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012097905	0	51	0.0	-73.02	409.96	8.18	-64.84
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012097906	0	43	0.0	-67.18	375.90	10.42	-56.76
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012097907	0	41	0.0	-66.23	341.48	8.09	-58.14
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012097908	0	49	0.0	-64.20	399.71	9.44	-54.76
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012097909	0	45	0.0	-70.48	368.51	6.81	-63.67
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012097910	0	43	0.0	-72.38	360.00	8.77	-63.61
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012097911	0	42	0.0	-72.53	350.91	10.35	-62.18
CC(C)N1N=CC2=CC(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)=C(Cl)N=C21	REAL300012097912	0	47	0.0	-75.61	396.45	8.92	-66.69
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012097913	0	43	0.0	-64.76	386.32	10.87	-53.89
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OCC1=CC=NC=C1	REAL300012097914	0	53	0.0	-72.31	433.01	9.23	-63.08
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012097915	0	43	0.0	-65.31	378.70	10.52	-54.79
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012097916	0	39	0.0	-65.59	348.20	9.29	-56.30
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012097917	0	36	0.0	-62.06	316.73	8.34	-53.72
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012097918	0	36	0.0	-69.59	320.21	8.38	-61.21
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012097919	0	39	0.0	-71.56	341.94	8.88	-62.68
CCOC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012097920	0	43	0.0	-69.16	353.00	7.79	-61.37
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012097921	0	36	0.0	-61.00	327.04	8.78	-52.22
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012097922	0	39	0.0	-66.47	332.73	8.96	-57.51
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012097923	0	36	0.0	-76.02	316.62	8.01	-68.01
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012097924	0	39	0.0	-74.66	346.78	8.63	-66.03
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012097925	0	39	0.0	-66.56	340.86	8.86	-57.70
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(Cl)=C1OC	REAL300012097926	0	44	0.0	-62.94	372.26	7.60	-55.34
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012097927	0	39	0.0	-65.91	339.03	9.09	-56.82
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012097928	0	36	0.0	-69.64	320.21	8.39	-61.25
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012097929	0	40	0.0	-66.36	352.24	7.97	-58.39
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012097930	0	43	0.0	-65.95	386.22	10.86	-55.09
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC(C#N)=C2)=C1	REAL300012097931	0	51	0.0	-71.55	433.80	11.23	-60.32
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012097932	0	46	0.0	-78.79	380.05	6.34	-72.45
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OCC(F)(F)F	REAL300012097933	0	47	0.0	-71.83	397.79	8.40	-63.43
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012097934	0	49	0.0	-73.14	407.79	9.09	-64.05
CC(C)C1=NN(C)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012097935	0	45	0.0	-66.55	362.83	7.46	-59.09
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300012097936	0	42	0.0	-70.70	362.46	7.64	-63.06
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012097937	0	46	0.0	-73.64	401.17	9.73	-63.91
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012097938	0	45	0.0	-65.54	377.72	7.76	-57.78
COCCOC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012097939	0	47	0.0	-70.67	386.63	7.07	-63.60
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1Cl	REAL300012097940	0	40	0.0	-67.23	343.15	7.67	-59.56
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012097941	0	41	0.0	-71.66	357.88	6.75	-64.91
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012097942	0	48	0.0	-76.11	383.02	9.14	-66.97
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)N=C1	REAL300012097943	0	52	0.0	-77.03	415.73	7.75	-69.28
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012097944	0	43	0.0	-72.14	372.58	8.26	-63.88
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012097945	0	42	0.0	-62.21	340.54	7.03	-55.18
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012097946	0	45	0.0	-63.47	357.43	7.84	-55.63
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012097947	0	48	0.0	-64.44	378.83	9.91	-54.53
CCCOC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012097948	0	46	0.0	-69.05	374.50	8.59	-60.46
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012097949	0	43	0.0	-66.69	363.66	10.41	-56.28
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012097950	0	50	0.0	-63.42	391.70	10.02	-53.40
CC(C)OC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1	REAL300012097951	0	46	0.0	-69.10	370.92	8.42	-60.68
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C1=CC2=CC=CC=C2O1	REAL300012097952	0	49	0.0	-64.47	412.90	9.48	-54.99
CC1=CC=C(C2=NC(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)=CS2)C=C1	REAL300012097953	0	45	0.0	-67.12	383.86	9.29	-57.83
CC(C)C1=NC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CS1	REAL300012097954	1	41	0.0	-61.46	349.41	6.61	-54.85
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012097955	0	50	0.0	-70.13	416.63	11.01	-59.12
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012097956	1	46	0.0	-64.88	398.08	7.87	-57.01
CC1=CC=C(OCC2=NC(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)=CS2)C=C1	REAL300012097957	1	49	0.0	-64.87	419.48	8.54	-56.33
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(C(C)(C)C)=N1	REAL300012097958	1	44	0.0	-64.64	364.31	7.36	-57.28
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012097959	0	39	0.0	-66.97	353.49	7.55	-59.42
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012097960	0	43	0.0	-66.46	375.90	10.41	-56.05
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1OCC(=O)N(C)C	REAL300012097961	0	50	0.0	-59.93	403.59	8.69	-51.24
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012097962	0	50	0.0	-58.62	391.32	10.09	-48.53
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012097963	0	53	0.0	-66.40	429.10	8.72	-57.68
CC1=CC=C(C2=CC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)S2)C=C1	REAL300012097964	0	46	0.0	-66.15	390.89	11.02	-55.13
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012097965	0	42	0.0	-75.02	363.72	8.12	-66.90
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012097966	0	40	0.0	-71.24	363.89	8.02	-63.22
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012097967	0	36	0.0	-61.04	331.61	8.88	-52.16
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012097968	0	36	0.0	-60.39	330.63	8.88	-51.51
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012097969	0	47	0.0	-69.43	403.17	10.56	-58.87
CCOC1=C(OC)C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012097970	0	51	0.0	-73.29	411.38	7.88	-65.41
COCCCOC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012097971	0	50	0.0	-71.19	408.18	7.67	-63.52
CC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CN=C1Cl	REAL300012097972	0	38	0.0	-70.06	328.12	7.05	-63.01
COC1=CC=C(OC(F)F)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012097973	0	44	0.0	-65.66	364.98	6.73	-58.93
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012097974	0	40	0.0	-59.39	349.58	7.86	-51.53
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012097975	0	56	0.0	-70.85	455.91	12.40	-58.45
CC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OC1=CC=CN=C1	REAL300012097976	0	49	0.0	-70.55	400.78	9.53	-61.02
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012097977	0	54	0.0	-59.86	439.26	9.11	-50.75
CC1=CC=C(C2=NC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)S2)C=C1	REAL300012097978	0	45	0.0	-67.19	384.04	9.52	-57.67
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012097979	0	41	0.0	-64.73	358.12	8.60	-56.13
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012097980	0	41	0.0	-61.98	343.10	8.38	-53.60
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012097981	0	41	0.0	-65.69	347.81	8.16	-57.53
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012097982	0	41	0.0	-61.40	351.95	8.76	-52.64
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012097983	0	43	0.0	-68.46	376.38	9.61	-58.85
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)O1	REAL300012097984	0	46	0.0	-69.19	384.81	10.45	-58.74
CCC1=CC=C(C2=CC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)O2)C=C1	REAL300012097985	0	49	0.0	-67.98	400.75	11.13	-56.85
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(OC(F)F)=C1	REAL300012097986	0	44	0.0	-66.66	364.97	6.75	-59.91
COC1=CC=C2OC(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)=CC2=C1	REAL300012097987	0	43	0.0	-70.68	359.00	7.40	-63.28
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012097988	0	40	0.0	-66.93	345.39	9.64	-57.29
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C2=CC=CC=C2O1	REAL300012097989	0	42	0.0	-70.68	349.06	8.69	-61.99
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012097990	0	44	0.0	-69.48	364.38	9.58	-59.90
CC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1Br	REAL300012097991	0	39	0.0	-67.82	337.11	9.01	-58.81
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012097992	0	40	0.0	-66.40	340.58	9.22	-57.18
CC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1Br	REAL300012097993	0	39	0.0	-67.39	337.12	9.01	-58.38
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012097994	0	43	0.0	-65.08	360.54	8.67	-56.41
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012097995	0	41	0.0	-61.98	350.10	8.17	-53.81
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012097996	0	40	0.0	-72.75	336.01	7.84	-64.91
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012097997	0	40	0.0	-71.01	335.91	7.84	-63.17
CCOC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=N1	REAL300012097998	0	42	0.0	-64.53	350.67	5.16	-59.37
CC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC2=CC=CN=C12	REAL300012097999	0	44	0.0	-72.05	358.87	9.00	-63.05
CC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1Cl	REAL300012098000	0	39	0.0	-67.30	333.09	8.92	-58.38
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012098001	0	38	0.0	-70.12	329.49	7.29	-62.83
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1	REAL300012098002	0	55	0.0	-66.43	438.00	11.78	-54.65
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098003	0	56	0.0	-60.10	420.44	10.94	-49.16
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098004	0	56	0.0	-62.56	440.05	10.94	-51.62
CCCC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098005	0	45	0.0	-63.74	362.00	10.04	-53.70
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098006	0	54	0.0	-69.75	436.48	12.34	-57.41
CCN(CC)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1F	REAL300012098007	0	50	0.0	-67.03	396.89	8.88	-58.15
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C(SC)C=C1OC	REAL300012098008	0	48	0.0	-63.56	391.92	7.96	-55.60
COC1=CC=C2N=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)SC2=C1	REAL300012098009	0	42	0.0	-66.43	359.27	6.64	-59.79
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC2=CC=C(Cl)C=C2N1C	REAL300012098010	0	42	0.0	-74.29	361.60	8.69	-65.60
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1C#N	REAL300012098011	0	41	0.0	-73.31	347.33	7.54	-65.77
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012098012	0	40	0.0	-69.55	351.46	8.84	-60.71
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098013	0	42	0.0	-68.60	351.54	9.12	-59.48
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012098014	0	40	0.0	-71.23	343.10	7.47	-63.76
CCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)N=C1	REAL300012098015	0	42	0.0	-67.52	344.02	6.19	-61.33
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098016	0	42	0.0	-68.59	351.19	9.43	-59.16
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC(Cl)=C1OC	REAL300012098017	0	44	0.0	-73.57	376.33	7.66	-65.91
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OCC(C)C	REAL300012098018	0	53	0.0	-69.18	419.82	9.42	-59.76
CCCOC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OC	REAL300012098019	0	50	0.0	-69.38	399.71	8.74	-60.64
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Br)S1	REAL300012098020	0	33	0.0	-66.44	313.54	7.40	-59.04
CCOC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC(Cl)=C1OC	REAL300012098021	0	47	0.0	-70.45	398.18	8.58	-61.87
C=CCOC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098022	0	44	0.0	-69.51	365.91	8.39	-61.12
COC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1OC(C)C	REAL300012098023	0	50	0.0	-61.48	392.31	8.75	-52.73
CCOC1=C(Cl)C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012098024	0	47	0.0	-73.33	398.18	8.61	-64.72
CCCOC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=CC=C1OCC	REAL300012098025	0	53	0.0	-61.37	421.60	9.74	-51.63
CCCCOC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OC	REAL300012098026	0	53	0.0	-69.68	421.22	9.52	-60.16
CCCOC1=C(Cl)C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OCC	REAL300012098027	0	53	0.0	-70.23	441.53	10.34	-59.89
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC(F)F	REAL300012098028	0	44	0.0	-70.90	366.13	7.31	-63.59
CCOC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OC(F)F	REAL300012098029	0	47	0.0	-72.23	387.97	8.22	-64.01
CC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC(C)=C1OC(F)F	REAL300012098030	0	46	0.0	-68.40	376.16	8.88	-59.52
CCOC1=CC2=C(C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1)OC(C)C2	REAL300012098031	0	51	0.0	-63.85	408.72	8.45	-55.40
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC2=C1OCCO2	REAL300012098032	0	46	0.0	-72.54	371.32	6.85	-65.69
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012098033	0	45	0.0	-75.83	392.10	9.24	-66.59
CCCCN1N=C(C)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1Cl	REAL300012098034	0	48	0.0	-67.21	404.60	8.63	-58.58
CCOC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1OC(F)F	REAL300012098035	0	47	0.0	-67.12	386.33	8.41	-58.71
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012098036	0	54	0.0	-59.55	431.84	9.98	-49.57
CC1=CC(C)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1C	REAL300012098037	0	45	0.0	-62.77	350.87	9.63	-53.14
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012098038	0	43	0.0	-66.09	369.49	10.34	-55.75
CCCOC1=C(Cl)C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012098039	0	50	0.0	-73.18	419.68	9.42	-63.76
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1C(C)(C)C	REAL300012098040	0	58	0.0	-64.93	444.76	11.68	-53.25
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012098041	0	43	0.0	-67.78	376.60	9.65	-58.13
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC(C)(C)C1=CC=CC=C1	REAL300012098042	0	45	0.0	-65.17	349.71	9.28	-55.89
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C1CCCCC1	REAL300012098043	0	52	0.0	-71.76	408.48	9.10	-62.66
CC(CCC1=CC=CC=C1)C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098044	0	48	0.0	-65.66	380.67	10.45	-55.21
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC2=C(CC(C)(C)CC2)S1	REAL300012098045	0	48	0.0	-67.26	385.93	8.22	-59.04
CCC1=CC=CC(Cl)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098046	0	42	0.0	-63.02	347.47	9.44	-53.58
CC1=C(C)C=C2OC(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)=CC2=C1	REAL300012098047	0	45	0.0	-67.69	367.82	9.30	-58.39
CCCC1CCC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)CC1	REAL300012098048	0	51	0.0	-62.52	379.19	10.16	-52.36
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012098049	0	43	0.0	-66.95	370.91	8.19	-58.76
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012098050	0	43	0.0	-72.84	353.57	10.21	-62.63
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012098051	0	43	0.0	-66.32	370.32	9.59	-56.73
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012098052	0	42	0.0	-70.87	358.09	7.51	-63.36
CCCCC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C2=CC=CC=C2O1	REAL300012098053	0	51	0.0	-69.98	409.75	11.07	-58.91
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012098054	0	49	0.0	-77.21	408.55	12.24	-64.97
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098055	0	49	0.0	-69.95	403.40	9.70	-60.25
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012098056	0	45	0.0	-72.14	376.50	8.30	-63.84
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300012098057	0	50	0.0	-69.69	426.08	11.43	-58.26
COC1=CC=C(C)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098058	0	43	0.0	-59.00	347.17	7.85	-51.15
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1F	REAL300012098059	0	40	0.0	-68.92	333.34	7.20	-61.72
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012098060	0	45	0.0	-67.31	348.99	8.82	-58.49
CC(C)C1CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)CCO1	REAL300012098061	0	49	0.0	-66.27	372.77	7.60	-58.67
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012098062	0	43	0.0	-71.82	374.77	8.59	-63.23
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012098063	1	42	0.0	-69.95	378.07	8.15	-61.80
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012098064	1	42	0.0	-68.90	377.14	7.98	-60.92
CCSC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098065	0	43	0.0	-69.52	363.33	9.42	-60.10
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012098066	1	37	0.0	-66.87	328.78	5.55	-61.32
CCN1N=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C2=CC=CC=C21	REAL300012098067	0	45	0.0	-68.19	369.37	8.60	-59.59
COCCC1(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)CCCCC1	REAL300012098068	0	52	0.0	-62.57	375.96	8.02	-54.55
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012098069	0	33	0.0	-70.13	329.37	7.86	-62.27
CCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098070	0	46	0.0	-69.39	374.50	8.62	-60.77
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012098071	0	43	0.0	-71.19	389.74	10.68	-60.51
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098072	0	49	0.0	-67.93	420.50	10.05	-57.88
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012098073	0	43	0.0	-66.85	361.90	9.45	-57.40
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OC(C)C	REAL300012098074	0	50	0.0	-68.92	396.16	8.56	-60.36
CCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OCC	REAL300012098075	0	53	0.0	-69.08	421.57	9.66	-59.42
CC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1[N+](=O)[O-]	REAL300012098076	0	41	0.0	-71.39	341.84	9.02	-62.37
CC(C)OC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098077	0	46	0.0	-67.81	370.93	8.43	-59.38
CCCCCCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098078	0	58	0.0	-69.20	460.50	11.74	-57.46
CC(C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1)CC1=CC=C(C(C)(C)C)C=C1	REAL300012098079	0	57	0.0	-64.08	430.54	12.17	-51.91
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Br)C=CS1	REAL300012098080	0	33	0.0	-59.00	307.29	7.46	-51.54
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012098081	0	49	0.0	-66.64	381.84	6.88	-59.76
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300012098082	0	36	0.0	-61.10	320.30	8.43	-52.67
CC(C)CC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098083	0	48	0.0	-65.77	382.84	10.25	-55.52
CC1=CC=C(C2=CC=CC(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)=C2)C=C1	REAL300012098084	0	49	0.0	-66.79	393.24	11.90	-54.89
COC1=CC=C(Br)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098085	0	40	0.0	-63.75	342.52	7.70	-56.05
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1[N+](=O)[O-]	REAL300012098086	0	42	0.0	-84.15	353.15	8.55	-75.60
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012098087	0	36	0.0	-68.26	331.08	8.84	-59.42
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012098088	0	36	0.0	-69.08	320.76	8.40	-60.68
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Br)=CO1	REAL300012098089	0	33	0.0	-66.66	300.07	6.59	-60.07
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098090	0	49	0.0	-65.12	393.68	11.91	-53.21
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300012098091	0	42	0.0	-72.64	375.41	9.84	-62.80
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012098092	0	40	0.0	-71.72	340.90	7.15	-64.57
CCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OCC	REAL300012098093	0	50	0.0	-69.34	400.07	8.86	-60.48
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012098094	0	36	0.0	-62.51	319.92	8.37	-54.14
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012098095	0	39	0.0	-70.54	349.51	9.24	-61.30
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300012098096	0	36	0.0	-61.53	320.30	8.43	-53.10
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012098097	0	40	0.0	-72.24	347.64	7.36	-64.88
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012098098	0	36	0.0	-62.17	319.91	8.35	-53.82
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098099	0	50	0.0	-68.84	409.86	10.63	-58.21
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012098100	0	46	0.0	-67.17	400.94	10.47	-56.70
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012098101	0	36	0.0	-62.03	319.37	8.35	-53.68
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C2=CC=CC=C12	REAL300012098102	0	46	0.0	-71.18	370.97	9.06	-62.12
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012098103	0	43	0.0	-66.27	356.26	7.74	-58.53
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012098103	1	43	0.0	-64.14	359.03	7.48	-56.66
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC2=CC=CC=C2N1C	REAL300012098104	0	42	0.0	-77.10	348.06	7.91	-69.19
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(Br)=C1O	REAL300012098105	0	41	0.0	-62.34	353.25	5.53	-56.81
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012098106	0	41	0.0	-68.43	333.51	7.66	-60.77
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(Br)=C1	REAL300012098107	0	33	0.0	-65.39	309.27	7.51	-57.88
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OCC1=CC=CN=C1	REAL300012098108	0	53	0.0	-74.47	432.97	9.21	-65.26
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C(C2=CC=CC=C2)C=C1OC	REAL300012098109	0	54	0.0	-68.89	426.79	10.23	-58.66
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012098110	0	46	0.0	-69.40	375.86	10.97	-58.43
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012098111	0	49	0.0	-61.04	402.41	9.38	-51.66
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012098112	0	47	0.0	-69.86	375.56	7.48	-62.38
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012098113	0	36	0.0	-69.72	324.62	8.49	-61.23
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012098114	0	45	0.0	-63.82	369.28	9.71	-54.11
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012098115	0	45	0.0	-67.47	366.84	9.47	-58.00
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012098116	0	45	0.0	-69.63	367.03	9.48	-60.15
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098117	0	51	0.0	-66.26	394.50	8.08	-58.18
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N2CCN(C)CC2)C=C1	REAL300012098118	1	53	0.0	-65.38	406.83	6.53	-58.85
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012098119	0	45	0.0	-74.10	382.97	6.06	-68.04
CNC(=O)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098120	0	43	0.0	-80.42	358.12	5.87	-74.55
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012098121	0	43	0.0	-75.71	366.89	8.84	-66.87
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098122	0	49	0.0	-69.53	413.72	10.15	-59.38
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012098123	0	43	0.0	-75.14	377.21	9.29	-65.85
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098124	0	49	0.0	-69.37	408.60	10.17	-59.20
CC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC(C)=C1OCC1=CC=CC=N1	REAL300012098125	0	55	0.0	-71.51	447.49	10.67	-60.84
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012098126	0	43	0.0	-72.93	372.58	8.27	-64.66
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012098127	0	42	0.0	-66.72	343.73	10.07	-56.65
COC1=C2OC(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)=CC2=CC=C1	REAL300012098128	0	43	0.0	-72.36	355.00	7.63	-64.73
CC(C)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1[N+](=O)[O-]	REAL300012098129	0	47	0.0	-79.86	382.66	10.32	-69.54
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012098130	0	39	0.0	-72.55	345.00	7.10	-65.45
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098131	0	52	0.0	-72.89	420.46	10.04	-62.85
CCOC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OCC(C)C	REAL300012098132	0	56	0.0	-68.73	441.67	10.34	-58.39
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Br)=CC=C1F	REAL300012098133	0	36	0.0	-62.18	324.48	8.46	-53.72
COC1=CC(Br)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012098134	0	44	0.0	-68.46	371.72	7.60	-60.86
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Br)C=C1F	REAL300012098135	0	36	0.0	-62.66	324.49	8.47	-54.19
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC(OC)=C1	REAL300012098136	0	44	0.0	-66.49	356.62	6.42	-60.07
COC1=CC2=CC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C=C2C=C1	REAL300012098137	0	46	0.0	-70.44	373.07	9.37	-61.07
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Br)=CS1	REAL300012098139	0	33	0.0	-64.77	309.31	7.55	-57.22
CCCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OCC	REAL300012098140	0	56	0.0	-69.12	443.07	10.44	-58.68
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098141	0	49	0.0	-69.67	397.05	9.63	-60.04
COC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1OC(F)F	REAL300012098142	0	44	0.0	-62.57	364.47	7.39	-55.18
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012098143	0	40	0.0	-68.85	358.15	8.39	-60.46
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012098144	0	56	0.0	-65.17	436.39	11.09	-54.08
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012098145	0	42	0.0	-61.62	352.00	6.62	-55.00
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012098147	0	36	0.0	-69.33	324.62	8.48	-60.85
CC1=CC=C(COC2=CC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C=C2)C=C1	REAL300012098148	0	53	0.0	-71.01	434.33	11.54	-59.47
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012098149	0	51	0.0	-64.42	390.55	9.11	-55.31
CCCCCCOC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098150	0	55	0.0	-69.05	439.00	10.94	-58.11
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1SC	REAL300012098151	0	44	0.0	-69.23	366.53	8.17	-61.06
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OCCCC#N)=C1	REAL300012098152	0	47	0.0	-75.75	395.37	9.11	-66.64
CCCCCOC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OC	REAL300012098153	0	56	0.0	-69.63	442.72	10.30	-59.33
CCC(C)OC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OC	REAL300012098154	0	53	0.0	-69.31	416.90	9.35	-59.96
CCCCCCCOC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098155	0	58	0.0	-69.09	460.50	11.72	-57.37
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OCCCC#N	REAL300012098156	0	51	0.0	-76.71	420.57	9.26	-67.45
C=C(C)COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OC	REAL300012098157	0	51	0.0	-70.44	410.50	9.30	-61.14
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OCCC(C)C	REAL300012098158	0	56	0.0	-69.55	438.78	10.05	-59.50
C=CCC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC(OC)=C1O	REAL300012098159	0	48	0.0	-70.01	392.48	6.97	-63.04
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012098160	0	43	0.0	-74.02	361.05	7.51	-66.51
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098161	0	45	0.0	-70.62	375.82	8.78	-61.84
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098162	0	46	0.0	-65.07	395.04	6.34	-58.73
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012098163	1	42	0.0	-67.70	354.55	7.39	-60.31
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012098164	0	42	0.0	-71.18	364.80	8.33	-62.85
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012098165	0	49	0.0	-69.05	391.66	6.96	-62.09
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2C(=C1)N=CN2C	REAL300012098166	0	42	0.0	-67.56	346.00	9.16	-58.40
CCN1N=C(C)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1C	REAL300012098167	0	45	0.0	-71.21	365.35	7.21	-64.00
C=CCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1Cl	REAL300012098168	0	44	0.0	-67.38	377.90	9.18	-58.20
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012098169	0	42	0.0	-67.22	362.65	8.84	-58.38
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C2OC(C)CC2=C1	REAL300012098170	0	48	0.0	-60.89	384.05	7.69	-53.20
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2OC(C)(C)CC2=C1	REAL300012098171	0	47	0.0	-66.97	375.04	9.06	-57.91
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012098172	0	42	0.0	-69.79	354.27	6.24	-63.55
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012098173	0	39	0.0	-63.25	358.12	7.38	-55.87
CC1=CC=CC(C2=NNC=C2C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098174	0	46	0.0	-65.94	375.44	8.32	-57.62
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012098175	0	39	0.0	-73.82	357.11	9.06	-64.76
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012098176	0	36	0.0	-61.52	331.62	8.88	-52.64
CC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(Br)=C1	REAL300012098177	0	39	0.0	-58.02	335.31	9.03	-48.99
CC(C)COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098178	0	49	0.0	-69.16	394.60	9.31	-59.85
COCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098179	0	47	0.0	-71.70	386.63	7.09	-64.61
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1	REAL300012098180	0	51	0.0	-71.23	430.36	11.27	-59.96
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012098181	0	40	0.0	-69.92	352.90	7.95	-61.97
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012098182	0	44	0.0	-72.17	394.70	9.05	-63.12
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Cl)N(C)N=C1C1=CC=CC=C1	REAL300012098183	0	46	0.0	-64.66	392.38	9.31	-55.35
COC1=CC2=C(C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1)OCO2	REAL300012098184	0	43	0.0	-68.32	355.80	5.58	-62.74
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012098185	0	41	0.0	-67.66	338.06	7.93	-59.73
CC(C)COC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098186	0	49	0.0	-68.82	394.61	9.29	-59.53
CC1=CC(Cl)=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098187	0	39	0.0	-66.30	329.18	8.95	-57.35
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012098188	0	40	0.0	-67.78	335.07	9.18	-58.60
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=CC(Br)=C1	REAL300012098189	0	35	0.0	-69.12	313.79	6.64	-62.48
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2C(=C1)N=NN2C	REAL300012098190	0	41	0.0	-72.26	341.60	6.26	-66.00
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC2=C1OC(C)(C)C2	REAL300012098191	0	47	0.0	-64.61	378.90	8.79	-55.82
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012098192	0	41	0.0	-62.00	354.67	8.27	-53.73
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C1=CC=CC=C1	REAL300012098193	0	46	0.0	-65.70	377.13	8.97	-56.73
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012098194	0	43	0.0	-74.63	360.00	8.76	-65.87
CC1=C(Br)SC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098195	0	36	0.0	-66.32	333.15	8.00	-58.32
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012098196	0	41	0.0	-61.48	356.01	8.86	-52.62
CC1=NC2=CC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C=C2C=C1	REAL300012098197	0	44	0.0	-73.20	360.32	8.79	-64.41
COC1=CC=C(OC2=CC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C=C2)C=C1	REAL300012098198	0	51	0.0	-73.55	419.86	9.71	-63.84
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012098199	0	38	0.0	-61.79	319.57	6.96	-54.83
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C=C2)=C1	REAL300012098200	0	52	0.0	-66.86	414.64	12.56	-54.30
CC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1N1C=NC=N1	REAL300012098201	0	45	0.0	-75.50	366.55	11.28	-64.22
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012098202	0	39	0.0	-70.37	335.94	8.15	-62.22
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012098203	0	43	0.0	-75.30	366.01	8.12	-67.18
COCC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098204	0	43	0.0	-65.11	352.68	7.55	-57.56
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098205	0	46	0.0	-69.70	393.57	10.08	-59.62
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012098206	0	50	0.0	-71.01	419.33	10.92	-60.09
CCCCOC1=CC=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098207	0	49	0.0	-58.67	390.61	9.70	-48.97
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012098208	0	47	0.0	-71.16	402.24	11.67	-59.49
CC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C(OC(F)F)C=C1C	REAL300012098209	0	46	0.0	-63.59	374.59	8.68	-54.91
COC1=CC(C)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012098210	0	47	0.0	-69.34	371.16	7.62	-61.72
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC2=CC(Cl)=CC=C2N1C	REAL300012098211	0	42	0.0	-66.97	360.83	8.68	-58.29
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Cl)C=CC=C1S(C)(=O)=O	REAL300012098212	1	42	0.0	-69.71	359.12	5.91	-63.80
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098213	1	45	0.0	-67.38	381.52	7.28	-60.10
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012098214	0	40	0.0	-71.08	344.62	6.67	-64.41
CSC1=CC(Br)=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098215	0	40	0.0	-61.00	354.62	9.36	-51.64
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012098216	0	46	0.0	-67.74	388.27	9.55	-58.19
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC2=C(CC(C)CC2)S1	REAL300012098217	0	45	0.0	-67.42	370.96	7.93	-59.49
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1CCC(C(C)(C)C)CC1	REAL300012098218	0	54	0.0	-63.25	380.41	9.89	-53.36
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098219	0	50	0.0	-61.63	399.89	10.60	-51.03
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098220	0	50	0.0	-61.87	399.87	10.59	-51.28
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098221	0	49	0.0	-65.15	395.08	8.84	-56.31
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012098222	0	47	0.0	-68.16	384.68	9.38	-58.78
COC1=CC(Cl)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1Cl	REAL300012098223	0	40	0.0	-63.57	355.81	8.12	-55.45
CC(C)CC1=NC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)S1	REAL300012098224	0	44	0.0	-64.91	365.46	8.00	-56.91
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012098225	0	39	0.0	-67.74	354.51	7.92	-59.82
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012098226	0	39	0.0	-67.05	353.78	7.79	-59.26
CC1=CC=C(C2=NC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)S2)O1	REAL300012098227	0	42	0.0	-69.88	367.33	7.74	-62.14
CC1=CC(Br)=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098228	0	39	0.0	-66.40	333.75	9.05	-57.35
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012098229	0	36	0.0	-68.44	333.74	8.90	-59.54
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012098230	0	43	0.0	-78.67	364.56	7.51	-71.16
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012098231	0	45	0.0	-65.01	372.56	9.50	-55.51
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012098232	0	39	0.0	-69.79	345.77	8.53	-61.26
COCCOC1=CC=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098233	0	47	0.0	-59.15	381.24	7.37	-51.78
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012098234	0	36	0.0	-60.88	330.64	8.87	-52.01
COC1=C(Br)C=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098235	0	40	0.0	-62.35	347.59	7.87	-54.48
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012098236	0	39	0.0	-68.34	332.27	6.74	-61.60
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C1=CC=CS1	REAL300012098237	0	43	0.0	-70.79	364.56	7.91	-62.88
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012098238	0	50	0.0	-61.38	407.57	10.58	-50.80
COC1=CC(Br)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(OC)=C1	REAL300012098239	1	44	0.0	-57.99	373.33	6.97	-51.02
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012098240	0	47	0.0	-60.31	403.08	10.82	-49.49
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012098241	0	51	0.0	-61.10	421.39	9.08	-52.02
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C(C)(C)C	REAL300012098242	0	55	0.0	-66.51	420.73	11.27	-55.24
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012098243	0	43	0.0	-67.94	368.30	9.51	-58.43
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C(C)(C)C)S1	REAL300012098244	0	44	0.0	-64.82	364.46	7.61	-57.21
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012098245	0	42	0.0	-69.47	342.12	6.98	-62.49
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(Br)=C1	REAL300012098246	0	36	0.0	-70.60	322.94	8.18	-62.42
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012098247	0	43	0.0	-70.39	360.48	8.77	-61.62
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012098248	0	46	0.0	-74.70	398.51	9.70	-65.00
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C(C)(C)C)N=C1	REAL300012098249	0	45	0.0	-70.76	364.41	7.38	-63.38
CC(=O)NC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098250	0	43	0.0	-75.20	357.73	6.46	-68.74
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012098251	0	38	0.0	-83.34	329.86	8.24	-75.10
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012098252	0	38	0.0	-80.87	329.86	8.24	-72.63
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012098253	0	42	0.0	-64.75	338.60	9.96	-54.79
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N(C)C)C=C1	REAL300012098254	0	44	0.0	-63.88	350.13	8.25	-55.63
CCN(CC)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098255	0	50	0.0	-65.11	396.77	9.87	-55.24
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Br)C=C1	REAL300012098256	0	36	0.0	-69.96	322.94	8.20	-61.76
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC(OC)=C1OC	REAL300012098257	0	48	0.0	-73.29	389.52	6.94	-66.35
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012098258	0	36	0.0	-60.61	321.00	8.00	-52.61
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012098259	0	40	0.0	-63.83	335.51	7.46	-56.37
COC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1OC	REAL300012098260	0	44	0.0	-67.92	357.48	7.18	-60.74
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012098261	0	36	0.0	-61.35	327.04	8.78	-52.57
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012098262	0	49	0.0	-66.48	381.62	6.66	-59.82
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012098263	0	44	0.0	-69.50	356.36	7.02	-62.48
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(OC)=C1	REAL300012098264	0	44	0.0	-61.08	355.22	6.48	-54.60
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012098265	0	39	0.0	-72.38	340.37	8.57	-63.81
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012098266	0	36	0.0	-60.70	325.50	8.73	-51.97
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012098267	0	36	0.0	-68.57	329.53	8.79	-59.78
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098268	0	57	0.0	-66.68	451.70	12.69	-53.99
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012098269	0	40	0.0	-69.95	340.90	7.16	-62.79
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012098270	0	39	0.0	-63.03	326.34	8.89	-54.14
CCCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098271	0	49	0.0	-69.44	396.00	9.40	-60.04
CC(C)CCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098272	0	52	0.0	-69.41	413.57	9.92	-59.49
CCCCCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098273	0	55	0.0	-69.29	439.00	10.96	-58.33
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012098274	0	47	0.0	-73.57	390.34	10.40	-63.17
CCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(OCCC)=C1	REAL300012098275	0	56	0.0	-60.27	441.94	9.93	-50.34
CCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012098276	0	47	0.0	-69.32	378.22	7.94	-61.38
CC(C)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098277	0	45	0.0	-66.02	361.87	9.52	-56.50
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012098278	0	39	0.0	-73.64	340.37	8.56	-65.08
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(OC)=C1OC	REAL300012098279	0	48	0.0	-64.78	389.57	7.00	-57.78
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OCC1=CC=CC=C1	REAL300012098280	0	54	0.0	-70.63	438.13	11.00	-59.63
CCOC1=CC=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098281	0	43	0.0	-58.55	347.62	8.10	-50.45
CCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098282	0	43	0.0	-69.53	353.00	7.81	-61.72
COC1=CC=C(Br)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098283	0	40	0.0	-62.02	347.05	7.79	-54.23
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC(Br)=C1O	REAL300012098284	0	41	0.0	-72.94	358.28	5.60	-67.34
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012098285	0	46	0.0	-69.19	375.86	10.99	-58.20
COC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C2=CC=CC=C2C=C1	REAL300012098286	0	46	0.0	-60.14	367.99	9.30	-50.84
CSC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098287	0	40	0.0	-70.03	341.86	8.59	-61.44
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012098288	0	36	0.0	-58.44	325.73	8.63	-49.81
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098289	0	48	0.0	-64.71	384.44	6.38	-58.33
CC1=CC(C)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012098290	0	45	0.0	-62.70	352.19	9.54	-53.16
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098291	0	46	0.0	-70.44	395.01	9.55	-60.89
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012098292	0	50	0.0	-70.58	412.91	10.85	-59.73
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1Br	REAL300012098293	0	36	0.0	-59.13	317.10	8.15	-50.98
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1O	REAL300012098294	0	41	0.0	-67.99	337.88	4.96	-63.03
CC1=NN(C)C(Cl)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098295	0	39	0.0	-67.80	339.80	6.22	-61.58
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012098296	0	39	0.0	-77.36	343.87	6.73	-70.63
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C(C)(C)C	REAL300012098297	0	48	0.0	-64.65	365.78	7.87	-56.78
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1I	REAL300012098298	0	36	0.0	-57.97	322.40	8.59	-49.38
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012098299	0	44	0.0	-68.79	374.73	7.03	-61.76
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012098300	0	53	0.0	-81.65	420.62	11.07	-70.58
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N(C)CCC#N)C=C1	REAL300012098301	0	48	0.0	-69.41	395.84	9.43	-59.98
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012098302	0	46	0.0	-64.01	377.72	9.57	-54.44
CCOC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1OC	REAL300012098303	0	47	0.0	-61.47	378.25	8.00	-53.47
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OCC(N)=O	REAL300012098304	0	48	0.0	-83.67	394.95	4.98	-78.69
C#CCOC1=CC=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098305	0	42	0.0	-58.92	353.36	8.67	-50.25
CCNC(=O)COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012098306	0	54	0.0	-77.79	438.37	7.26	-70.53
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC2=C1OCO2	REAL300012098307	0	43	0.0	-75.51	353.21	5.77	-69.74
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012098308	1	42	0.0	-70.91	352.05	7.61	-63.30
COC1=CC2=C(C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1)OC(C)C2	REAL300012098309	0	48	0.0	-64.11	386.76	7.53	-56.58
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC(OC)=C1OCC(N)=O	REAL300012098310	0	52	0.0	-82.09	428.11	4.79	-77.30
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC(Cl)=C1OCC(N)=O	REAL300012098311	0	48	0.0	-81.74	414.91	5.63	-76.11
CCN(C(C)=O)C1=NC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CS1	REAL300012098312	1	45	0.0	-73.60	375.94	7.64	-65.96
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1C	REAL300012098313	0	43	0.0	-66.00	347.19	7.87	-58.13
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C(C)(C)C	REAL300012098314	0	45	0.0	-64.81	342.24	6.57	-58.24
COC1=CC=CC(OC)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098315	0	44	0.0	-58.71	357.96	6.29	-52.42
COC1=CC=C(F)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098316	0	40	0.0	-64.95	331.62	7.15	-57.80
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(I)=C1	REAL300012098317	0	36	0.0	-70.37	329.42	8.66	-61.71
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(I)C=C1	REAL300012098318	0	36	0.0	-69.70	329.42	8.68	-61.02
CSC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)S1	REAL300012098319	0	37	0.0	-66.35	335.16	7.89	-58.46
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012098320	0	46	0.0	-76.80	392.63	8.68	-68.12
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098321	0	49	0.0	-57.26	386.04	11.65	-45.61
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012098322	0	39	0.0	-62.43	323.61	6.48	-55.95
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(S(C)(=O)=O)C=C1	REAL300012098323	0	42	0.0	-79.49	362.34	5.10	-74.39
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012098324	0	46	0.0	-69.78	392.58	11.53	-58.25
COC1=CC=C(F)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098325	0	40	0.0	-62.89	332.16	7.25	-55.64
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(N)=O)C=C1	REAL300012098326	0	40	0.0	-80.04	336.19	4.36	-75.68
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1F	REAL300012098327	0	40	0.0	-72.09	333.34	7.19	-64.90
COC1=CC=C(Cl)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098328	0	40	0.0	-62.01	342.49	7.69	-54.32
COC(=O)C1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CN1C	REAL300012098329	0	43	0.0	-74.41	357.03	8.01	-66.40
CC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1Cl	REAL300012098330	0	39	0.0	-67.76	333.07	8.93	-58.83
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1C	REAL300012098331	0	43	0.0	-66.25	347.19	7.87	-58.38
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C#N)C=C1F	REAL300012098332	0	37	0.0	-68.24	324.00	8.23	-60.01
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012098333	0	49	0.0	-67.45	401.65	9.41	-58.04
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Br)C=N1	REAL300012098334	0	35	0.0	-68.87	313.91	6.59	-62.28
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012098335	0	45	0.0	-70.33	375.33	4.87	-65.46
C#CCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098336	0	45	0.0	-69.75	380.28	9.14	-60.61
CC1=NN(C)C2=NC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C=C12	REAL300012098337	0	44	0.0	-74.06	363.89	7.55	-66.51
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012098338	1	39	0.0	-65.70	334.07	7.04	-58.66
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012098339	0	39	0.0	-69.29	341.31	8.83	-60.46
CCOCC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OC	REAL300012098340	0	50	0.0	-67.07	401.21	8.03	-59.04
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C(N)=O)=C1	REAL300012098341	0	40	0.0	-77.71	336.19	4.34	-73.37
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012098342	0	39	0.0	-71.54	334.83	7.30	-64.24
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012098343	0	45	0.0	-67.97	392.54	7.03	-60.94
COC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1F	REAL300012098344	0	40	0.0	-61.49	332.49	7.15	-54.34
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(F)C=CC=C1Br	REAL300012098345	1	36	0.0	-60.37	325.04	8.07	-52.30
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC=C1Br	REAL300012098346	0	33	0.0	-58.52	305.96	7.33	-51.19
CC(C)COC1=CC=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098347	0	49	0.0	-58.66	389.17	9.61	-49.05
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012098348	0	42	0.0	-67.60	350.17	7.32	-60.28
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012098349	0	36	0.0	-69.16	325.32	8.51	-60.65
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012098350	0	41	0.0	-70.44	338.62	8.30	-62.14
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(F)=C1Br	REAL300012098351	0	36	0.0	-60.89	319.61	8.41	-52.48
COC1=CC(F)=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098352	0	40	0.0	-67.75	333.54	7.19	-60.56
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(Br)=C1F	REAL300012098353	0	36	0.0	-62.13	323.78	8.45	-53.68
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C(C)(C)C)N=C1	REAL300012098354	0	46	0.0	-72.83	373.27	7.52	-65.31
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(S(C)=O)C=C1	REAL300012098355	0	41	0.0	-84.19	353.86	6.17	-78.02
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012098356	0	46	0.0	-63.59	360.31	10.32	-53.27
COC(=O)C1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CN1	REAL300012098357	0	40	0.0	-67.57	339.27	6.26	-61.31
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=C1OC	REAL300012098358	0	47	0.0	-67.68	373.78	7.78	-59.90
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012098359	0	33	0.0	-71.40	322.61	7.56	-63.84
COC1=CC(C)=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098360	0	43	0.0	-59.05	347.16	7.84	-51.21
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012098361	0	35	0.0	-72.11	323.69	6.22	-65.89
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(S(C)(=O)=O)=C1	REAL300012098362	0	42	0.0	-81.86	362.34	5.08	-76.78
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012098363	0	49	0.0	-66.12	385.19	10.76	-55.36
CC1=CC(Cl)=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098364	0	39	0.0	-66.79	339.78	8.74	-58.05
COCC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098365	0	43	0.0	-68.25	356.71	7.32	-60.93
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012098366	0	43	0.0	-66.77	359.33	9.23	-57.54
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC=C(Cl)S1	REAL300012098367	1	32	0.0	-69.52	303.49	5.32	-64.20
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012098368	0	46	0.0	-73.64	367.79	8.07	-65.57
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098369	0	46	0.0	-67.93	375.47	9.21	-58.72
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012098370	0	39	0.0	-70.72	333.83	8.44	-62.28
COC1=CC(C)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=N1	REAL300012098371	0	45	0.0	-70.93	362.48	5.30	-65.63
COC1=CC=CC(Cl)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098372	0	40	0.0	-57.78	343.87	7.34	-50.44
CCC1=CC(OC)=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098373	0	46	0.0	-64.62	360.57	8.39	-56.23
CC1=NC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)N1C1=CC=CC=C1	REAL300012098374	0	46	0.0	-63.78	376.64	10.10	-53.68
CCCN1N=C(C)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1C	REAL300012098375	0	48	0.0	-66.70	385.81	7.93	-58.77
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012098376	0	41	0.0	-70.86	339.61	7.48	-63.38
COCCN1C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=N1	REAL300012098377	0	43	0.0	-72.08	359.66	5.29	-66.79
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012098378	0	46	0.0	-66.24	367.41	10.16	-56.08
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC2=CC=CC=C21	REAL300012098379	0	46	0.0	-70.63	376.12	9.17	-61.46
CCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1F	REAL300012098380	0	43	0.0	-68.77	355.20	8.13	-60.64
COC1=CC=CC2=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C=CC=C12	REAL300012098381	0	46	0.0	-67.40	366.96	9.31	-58.09
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1C#N	REAL300012098382	0	41	0.0	-77.30	347.33	7.54	-69.76
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098383	0	46	0.0	-67.28	376.98	9.39	-57.89
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012098384	1	35	0.0	-66.25	322.97	6.14	-60.11
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012098385	0	43	0.0	-73.10	365.55	5.86	-67.24
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(Br)=C1	REAL300012098386	0	40	0.0	-60.11	343.37	7.66	-52.45
CC(C)CN1C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=N1	REAL300012098387	0	45	0.0	-71.43	367.31	7.77	-63.66
CC1=CC(Br)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)S1	REAL300012098388	0	36	0.0	-64.32	333.21	8.01	-56.31
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C(=O)OC(C)(C)C)=C1	REAL300012098389	0	51	0.0	-75.58	411.34	10.27	-65.31
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098390	0	46	0.0	-56.37	386.70	10.51	-45.86
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2C(=C1)CCC(=O)N2C	REAL300012098391	0	47	0.0	-72.95	373.49	8.71	-64.24
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098392	0	51	0.0	-69.98	424.38	10.76	-59.22
CC1=CC=C(OC(F)F)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098393	0	43	0.0	-63.69	356.92	8.13	-55.56
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012098394	0	42	0.0	-67.65	379.37	9.37	-58.28
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012098395	0	42	0.0	-68.72	367.15	9.09	-59.63
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098396	0	53	0.0	-61.08	423.22	11.32	-49.76
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012098397	0	47	0.0	-61.51	396.02	10.20	-51.31
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC(OC)=C1OCC(F)F	REAL300012098398	0	51	0.0	-76.99	424.39	8.19	-68.80
CC1=NN(C(C)C)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098399	0	45	0.0	-65.75	361.04	7.53	-58.22
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012098400	0	41	0.0	-77.39	358.53	8.55	-68.84
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012098401	0	45	0.0	-65.05	369.53	8.45	-56.60
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012098402	0	42	0.0	-69.21	370.80	9.07	-60.14
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012098403	0	39	0.0	-68.45	339.55	7.19	-61.26
CC(C)C1=NC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)S1	REAL300012098404	0	41	0.0	-65.13	346.58	7.14	-57.99
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012098405	0	39	0.0	-69.88	345.42	6.93	-62.95
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012098406	0	36	0.0	-68.68	333.74	8.90	-59.78
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012098407	0	48	0.0	-66.83	407.21	10.34	-56.49
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CN(C)N=C2)C=C1	REAL300012098408	0	46	0.0	-73.29	381.77	8.88	-64.41
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012098409	0	39	0.0	-76.84	337.84	6.56	-70.28
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012098410	0	47	0.0	-72.02	396.75	10.48	-61.54
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C1=CC=C(F)C=C1	REAL300012098411	0	46	0.0	-76.32	383.49	9.03	-67.29
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C1=CC=C(C#N)C=C1	REAL300012098412	0	47	0.0	-71.84	397.97	9.37	-62.47
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(=O)N(C)C)N1	REAL300012098413	0	44	0.0	-79.12	354.93	6.01	-73.11
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C(N)=O)=CS1	REAL300012098414	0	37	0.0	-67.89	323.96	3.69	-64.20
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N(C)C2=CC=CC=C2)N=C1	REAL300012098415	0	50	0.0	-70.47	405.99	10.25	-60.22
CCC1=NN(C)C(CC)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098416	0	48	0.0	-70.92	386.51	7.79	-63.13
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012098417	0	42	0.0	-65.06	352.17	7.94	-57.12
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012098418	0	43	0.0	-71.94	365.71	5.77	-66.17
CC1=CC=CC=C1N1C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)N=N1	REAL300012098419	1	45	0.0	-66.12	375.69	8.28	-57.84
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Br)=NN1C	REAL300012098420	0	36	0.0	-70.96	319.95	5.89	-65.07
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CN(C)N=C2)S1	REAL300012098421	0	43	0.0	-70.17	375.60	8.24	-61.93
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012098422	0	48	0.0	-68.46	376.70	8.70	-59.76
CCOC1=C(Cl)C=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098423	0	43	0.0	-62.19	365.07	8.71	-53.48
CCC1=CC=CC(F)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098424	0	42	0.0	-64.05	339.07	9.04	-55.01
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012098425	0	36	0.0	-73.34	330.49	8.80	-64.54
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098426	0	47	0.0	-70.08	387.24	7.94	-62.14
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012098427	0	40	0.0	-62.63	351.62	7.44	-55.19
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012098428	0	43	0.0	-73.08	360.24	8.77	-64.31
CC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C2=CN(C)N=C2)=C1	REAL300012098429	0	49	0.0	-62.28	395.56	9.54	-52.74
CC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C2=CC=NN2C)=C1	REAL300012098430	0	49	0.0	-71.45	397.33	9.12	-62.33
CC(C)C1=CN=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)S1	REAL300012098431	0	41	0.0	-61.15	345.75	7.11	-54.04
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012098432	0	46	0.0	-76.45	399.19	9.77	-66.68
CC1=CC(Br)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1Cl	REAL300012098433	0	39	0.0	-63.97	348.49	9.50	-54.47
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012098434	0	46	0.0	-64.18	396.85	9.80	-54.38
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC=C(C(C)(C)C)S1	REAL300012098435	0	44	0.0	-60.91	363.95	7.62	-53.29
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012098436	0	39	0.0	-65.99	333.10	7.26	-58.73
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(CCC#N)N=C1C1=CC=NC=C1	REAL300012098437	0	49	0.0	-81.72	414.32	8.60	-73.12
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012098438	0	42	0.0	-68.58	362.43	11.11	-57.47
COC(=O)C1=C(C)N(C)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098439	0	46	0.0	-78.24	379.69	8.07	-70.17
COCCCN1N=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098440	0	46	0.0	-69.14	366.34	6.32	-62.82
CC1=CC(F)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(Cl)=C1	REAL300012098441	0	39	0.0	-58.96	338.39	8.92	-50.04
COCCOCC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098442	0	50	0.0	-69.33	412.19	7.55	-61.78
CSCC1=CN=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)S1	REAL300012098443	1	39	0.0	-63.02	349.04	6.97	-56.05
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012098444	0	36	0.0	-57.64	317.51	7.79	-49.85
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)SC2=C(Cl)C=CC=C12	REAL300012098445	0	42	0.0	-65.24	372.15	10.12	-55.12
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012098446	0	50	0.0	-67.87	421.04	10.23	-57.64
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C#N)C(F)=C1	REAL300012098447	0	37	0.0	-76.15	324.37	8.26	-67.89
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012098448	0	39	0.0	-76.18	337.22	6.93	-69.25
CC1=CC(F)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(F)=C1	REAL300012098449	0	39	0.0	-59.80	329.64	8.54	-51.26
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)O1	REAL300012098450	0	46	0.0	-65.04	387.92	7.89	-57.15
CC(C)CN1N=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098451	0	45	0.0	-67.03	344.87	7.68	-59.35
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012098452	0	35	0.0	-65.01	329.90	6.79	-58.22
COC(=O)C1=C(C)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CN1	REAL300012098453	0	43	0.0	-77.46	359.21	6.57	-70.89
CC1=CC=C(C2=NC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)S2)C=C1C	REAL300012098454	0	48	0.0	-67.41	401.01	10.05	-57.36
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098455	0	46	0.0	-72.09	381.25	9.71	-62.38
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098456	0	46	0.0	-69.85	388.97	10.25	-59.60
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098457	0	49	0.0	-69.04	398.26	10.24	-58.80
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(C)(C)C#N)C=C1	REAL300012098458	0	46	0.0	-67.92	374.24	9.78	-58.14
CC(C)C1=CC=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098459	0	45	0.0	-65.42	355.46	9.36	-56.06
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012098460	0	43	0.0	-62.68	346.25	6.90	-55.78
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012098461	0	42	0.0	-75.18	351.98	7.21	-67.97
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012098462	0	38	0.0	-72.17	320.22	6.61	-65.56
COC1=CC(OC)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1F	REAL300012098463	0	44	0.0	-66.54	361.48	6.56	-59.98
COC1=CC(F)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012098464	0	44	0.0	-69.70	360.82	7.07	-62.63
CC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(Cl)=C1	REAL300012098465	0	39	0.0	-58.45	331.73	8.93	-49.52
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098466	0	49	0.0	-69.18	397.56	10.29	-58.89
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(F)=C1	REAL300012098467	0	40	0.0	-61.73	332.67	7.13	-54.60
COC1=CC=CC(F)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098468	0	40	0.0	-60.12	331.09	7.20	-52.92
CCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012098469	0	49	0.0	-64.97	385.28	9.46	-55.51
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012098470	0	38	0.0	-70.05	333.77	7.31	-62.74
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012098471	0	39	0.0	-69.38	350.82	8.71	-60.67
CCC1=C2OC(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)=CC2=CC=C1	REAL300012098472	0	45	0.0	-68.88	368.39	9.78	-59.10
C=CCCN1C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)N=N1	REAL300012098473	1	42	0.0	-65.94	354.18	6.22	-59.72
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012098474	0	43	0.0	-70.96	347.29	7.49	-63.47
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012098475	0	44	0.0	-61.83	363.54	8.82	-53.01
CCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012098476	0	46	0.0	-65.12	363.79	8.66	-56.46
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012098477	0	40	0.0	-64.31	341.95	7.51	-56.80
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012098478	0	40	0.0	-67.24	341.91	7.53	-59.71
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012098479	0	49	0.0	-65.78	385.87	10.77	-55.01
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C1=CN(C)N=C1	REAL300012098480	0	46	0.0	-65.36	381.09	6.81	-58.55
COCC1=CSC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098481	0	40	0.0	-65.13	343.14	6.66	-58.47
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012098482	1	42	0.0	-73.33	339.80	6.29	-67.04
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012098483	0	42	0.0	-68.17	379.37	9.37	-58.80
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012098484	0	36	0.0	-67.67	328.24	7.97	-59.70
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012098485	0	36	0.0	-68.40	323.56	6.92	-61.48
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012098486	0	36	0.0	-59.95	322.88	7.66	-52.29
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(F)C(F)=C1N(C)C	REAL300012098487	0	44	0.0	-65.85	357.27	7.89	-57.96
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012098488	1	36	0.0	-63.08	322.83	8.30	-54.78
CC(C)OC1=C(Cl)C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(Cl)=C1	REAL300012098489	0	46	0.0	-63.35	395.59	9.67	-53.68
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012098490	0	48	0.0	-69.19	382.95	7.47	-61.72
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(F)=C(N(C)C)C=C1F	REAL300012098491	0	44	0.0	-67.98	363.00	7.40	-60.58
COC(=O)C1=C2CCCCN2C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098492	0	50	0.0	-70.02	399.31	9.55	-60.47
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012098493	0	36	0.0	-76.87	314.71	7.99	-68.88
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC(C(F)(F)F)=C1	REAL300012098494	0	43	0.0	-72.63	369.87	7.86	-64.77
C=CCOC1=C(Cl)C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012098495	0	48	0.0	-73.54	411.08	9.19	-64.35
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC1CC1	REAL300012098496	0	48	0.0	-71.01	387.40	8.69	-62.32
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C(F)(F)F)=NN1C	REAL300012098497	0	39	0.0	-72.98	339.61	6.38	-66.60
COCC(C)OC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098498	0	50	0.0	-69.71	403.23	7.77	-61.94
CCCC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)S1	REAL300012098499	0	42	0.0	-63.73	352.70	9.29	-54.44
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012098500	0	43	0.0	-70.36	369.01	10.19	-60.17
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012098501	0	49	0.0	-69.21	381.57	9.56	-59.65
CC(C)C1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1	REAL300012098502	0	45	0.0	-65.82	361.87	9.49	-56.33
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012098503	0	43	0.0	-64.53	373.62	8.63	-55.90
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1C(C)(C)C	REAL300012098504	0	52	0.0	-65.34	398.28	9.81	-55.53
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012098505	0	49	0.0	-63.88	388.67	11.33	-52.55
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098506	0	44	0.0	-58.63	374.45	6.78	-51.85
CC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=NC=C1Br	REAL300012098507	0	38	0.0	-64.39	336.46	6.92	-57.47
CC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C(Br)C=C1F	REAL300012098508	0	39	0.0	-68.33	339.74	9.11	-59.22
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(O)C=CC=C1Br	REAL300012098509	0	37	0.0	-58.33	325.38	5.52	-52.81
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(C2=CN(C)N=C2)=N1	REAL300012098510	0	42	0.0	-71.21	367.12	6.41	-64.80
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1Cl	REAL300012098511	0	40	0.0	-70.34	343.15	7.67	-62.67
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012098512	0	46	0.0	-70.61	364.24	8.18	-62.43
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012098513	1	42	0.0	-77.08	356.93	7.71	-69.37
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012098514	0	42	0.0	-65.73	350.77	9.15	-56.58
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1Br	REAL300012098515	0	36	0.0	-70.98	321.08	6.11	-64.87
CC(=O)NC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098516	0	43	0.0	-72.90	357.74	6.48	-66.42
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C2C(=C1)C=NN2C	REAL300012098517	0	41	0.0	-79.11	345.95	6.70	-72.41
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300012098518	1	35	0.0	-64.15	323.30	6.36	-57.79
COC1=CC(Cl)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC	REAL300012098519	0	44	0.0	-68.70	368.15	7.49	-61.21
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012098520	0	42	0.0	-68.35	362.63	9.36	-58.99
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(CNC(=O)OC(C)(C)C)=C1	REAL300012098521	0	56	0.0	-68.34	445.51	8.27	-60.07
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C2CCCCC2=NN1C	REAL300012098522	0	46	0.0	-72.42	365.84	7.57	-64.85
CCOC(=O)C1=C(C)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C(C)N1	REAL300012098523	0	49	0.0	-75.63	401.98	7.96	-67.67
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012098524	0	35	0.0	-74.81	315.21	6.51	-68.30
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012098525	0	46	0.0	-70.34	390.63	11.79	-58.55
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012098526	0	36	0.0	-75.32	329.01	8.54	-66.78
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Br)SC=C1	REAL300012098527	0	33	0.0	-60.36	309.59	7.23	-53.13
CCOC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C(F)C=C1OC	REAL300012098528	0	47	0.0	-69.83	382.67	7.99	-61.84
COC1=NC=C(Br)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098529	0	39	0.0	-67.91	348.70	4.94	-62.97
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012098530	0	42	0.0	-73.07	348.17	9.74	-63.33
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CN=C1Br	REAL300012098531	0	35	0.0	-63.04	312.16	6.26	-56.78
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C(F)C=C1Br	REAL300012098532	0	40	0.0	-71.07	352.02	7.82	-63.25
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012098533	0	36	0.0	-60.81	329.71	8.83	-51.98
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012098534	0	40	0.0	-61.68	348.69	7.74	-53.94
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098535	0	46	0.0	-61.90	371.93	8.80	-53.10
CCOC1=CC(F)=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098536	0	43	0.0	-68.09	355.39	8.12	-59.97
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012098537	0	50	0.0	-82.43	397.65	8.59	-73.84
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012098538	0	40	0.0	-64.05	342.42	7.42	-56.63
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OC(C)(C)C)=C1	REAL300012098539	0	49	0.0	-68.90	382.05	8.71	-60.19
CC1=C(Cl)C=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098540	0	39	0.0	-64.54	326.47	8.87	-55.67
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C(F)C=C1C	REAL300012098541	0	43	0.0	-67.00	351.73	7.90	-59.10
CC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=C1Br	REAL300012098542	0	42	0.0	-64.41	348.72	9.52	-54.89
CC1=CC=NC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1Br	REAL300012098543	1	38	0.0	-59.32	329.26	7.07	-52.25
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)C=C1	REAL300012098544	0	53	0.0	-73.52	423.72	7.81	-65.71
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C1=CC(F)=CC=C1F	REAL300012098545	0	46	0.0	-75.35	393.95	8.87	-66.48
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC(C(C)(C)C)=CS1	REAL300012098546	0	44	0.0	-61.39	363.20	7.53	-53.86
COCCC1=NC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)S1	REAL300012098547	0	42	0.0	-67.36	359.47	5.59	-61.77
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012098550	1	37	0.0	-74.16	323.86	4.94	-69.22
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C2CSCCC2=NN1C	REAL300012098551	0	44	0.0	-73.99	365.21	7.21	-66.78
CCN1C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C2=CC=CC=C2)=N1	REAL300012098552	0	49	0.0	-65.32	398.67	9.84	-55.48
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012098553	0	44	0.0	-69.81	348.48	7.53	-62.28
COCC1=C(C)C=C(C)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1C	REAL300012098554	0	52	0.0	-67.68	402.47	8.77	-58.91
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012098555	0	38	0.0	-76.68	325.37	8.38	-68.30
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098556	0	50	0.0	-65.40	425.27	11.60	-53.80
CC1=C(Br)C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)S1	REAL300012098557	0	36	0.0	-67.17	334.23	8.07	-59.10
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012098558	0	46	0.0	-67.92	388.56	11.74	-56.18
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012098559	0	41	0.0	-73.95	337.76	7.82	-66.13
CCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1C	REAL300012098560	0	49	0.0	-66.39	390.55	9.60	-56.79
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012098561	0	40	0.0	-71.13	333.66	6.23	-64.90
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1COC1=CC=CC=C1	REAL300012098562	0	54	0.0	-68.95	435.56	10.55	-58.40
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1CN1C=CC=N1	REAL300012098563	0	50	0.0	-67.61	409.83	8.81	-58.80
CCOC1=CC=CC(F)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098564	0	43	0.0	-57.18	352.94	8.12	-49.06
CC1=CC=C(Br)C(F)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098565	0	39	0.0	-62.17	344.56	8.71	-53.46
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=CC=C1[N+](=O)[O-]	REAL300012098566	0	41	0.0	-72.49	335.24	8.92	-63.57
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098567	0	44	0.0	-73.53	360.89	9.21	-64.32
COC1=CC=C(CN2C=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)N=N2)C=C1	REAL300012098568	1	49	0.0	-78.82	405.28	7.45	-71.37
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(F)=C1OC	REAL300012098569	0	44	0.0	-64.54	365.67	7.14	-57.40
COC(=O)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(F)=C1	REAL300012098570	0	42	0.0	-67.21	357.96	8.50	-58.71
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012098571	0	46	0.0	-65.89	384.26	8.20	-57.69
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012098572	0	50	0.0	-66.25	408.88	11.10	-55.15
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012098573	0	43	0.0	-59.44	360.63	8.43	-51.01
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098574	0	54	0.0	-69.81	438.64	10.90	-58.91
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098575	0	52	0.0	-72.20	418.49	10.62	-61.58
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098576	0	43	0.0	-73.91	355.57	8.99	-64.92
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC(C(C)(C)C)=CO1	REAL300012098577	1	44	0.0	-64.10	355.16	5.20	-58.90
CCCC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098578	0	45	0.0	-65.89	366.03	9.81	-56.08
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012098579	0	42	0.0	-64.27	383.23	8.88	-55.39
COC1=CC=C(C2=NC(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)=CS2)C=C1	REAL300012098580	0	46	0.0	-67.82	391.90	7.93	-59.89
CC1=C2C=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C=NC2=NN1	REAL300012098582	0	41	0.0	-81.88	340.68	6.34	-75.54
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1	REAL300012098583	0	44	0.0	-78.73	375.23	4.28	-74.45
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NN(C)C2=CC=CC=C12	REAL300012098584	0	42	0.0	-71.22	351.59	7.48	-63.74
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Cl)N=C(Cl)N1C	REAL300012098585	0	36	0.0	-74.28	331.08	7.11	-67.17
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012098586	0	41	0.0	-67.65	335.35	8.10	-59.55
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)N2C=CC=CC2=N1	REAL300012098587	0	42	0.0	-71.43	349.03	8.57	-62.86
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC(C)(C)CN(C)CC1=CC=CC=C1	REAL300012098588	1	56	0.0	-63.52	419.40	9.91	-53.61
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012098589	0	42	0.0	-73.25	357.83	5.79	-67.46
CC1=NN2C(=NC(C)=C2C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)S1	REAL300012098590	0	41	0.0	-66.77	352.86	7.01	-59.76
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)S1	REAL300012098591	0	47	0.0	-66.29	393.94	8.29	-58.00
CCCC(C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1)C1=CC=CC=C1	REAL300012098592	0	48	0.0	-61.87	376.06	10.46	-51.41
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012098593	0	41	0.0	-58.28	351.36	8.75	-49.53
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012098594	0	36	0.0	-68.96	332.51	7.87	-61.09
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(OCC2=CC=CN=C2)=C1	REAL300012098595	0	53	0.0	-62.24	431.83	8.67	-53.57
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300012098596	0	38	0.0	-64.85	350.58	7.88	-56.97
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N(C)C)C=C1C(F)(F)F	REAL300012098597	0	47	0.0	-62.92	377.80	9.29	-53.63
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098598	0	46	0.0	-63.31	379.87	10.45	-52.86
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098599	0	45	0.0	-67.36	391.87	9.16	-58.20
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012098600	0	55	0.0	-67.07	434.70	11.34	-55.73
CC(C)C1CCC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)CC1	REAL300012098601	0	51	0.0	-62.84	367.50	9.62	-53.22
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012098602	0	39	0.0	-68.93	361.55	8.91	-60.02
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012098603	0	39	0.0	-72.00	345.91	8.95	-63.05
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098604	0	47	0.0	-67.52	384.26	9.22	-58.30
COCC1=CC=CC=C1C=C(C)C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098605	0	50	0.0	-67.95	396.72	9.45	-58.50
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1C1=CC=NN1C	REAL300012098606	0	46	0.0	-71.50	375.92	8.45	-63.05
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012098607	0	45	0.0	-76.69	376.43	9.34	-67.35
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012098608	0	38	0.0	-75.23	320.26	5.29	-69.94
COC1=CC=C(N2C=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C=N2)C=C1	REAL300012098609	0	47	0.0	-76.32	389.97	8.07	-68.25
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N(C)CC2=CC=CS2)C=C1	REAL300012098610	0	51	0.0	-66.36	423.52	10.98	-55.38
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012098611	0	38	0.0	-70.42	341.07	5.53	-64.89
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=NC=C1Br	REAL300012098612	0	35	0.0	-63.93	312.46	6.37	-57.56
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(S(C)(=O)=O)S1	REAL300012098613	0	39	0.0	-76.08	354.72	4.24	-71.84
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012098614	0	56	0.0	-63.62	440.88	11.78	-51.84
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012098615	0	42	0.0	-64.73	353.84	8.24	-56.49
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1F	REAL300012098616	0	41	0.0	-71.60	357.41	2.80	-68.80
CC1=C(Br)C=NC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098618	0	38	0.0	-71.15	330.85	6.86	-64.29
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(C(F)(F)F)C=NN1C	REAL300012098619	0	39	0.0	-66.52	339.29	6.16	-60.36
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(C2CC2)C=NN1C	REAL300012098620	0	43	0.0	-71.02	352.36	7.21	-63.81
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(C2CCC2)C=NN1C	REAL300012098621	0	46	0.0	-69.72	364.70	7.97	-61.75
CC1=C2C=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)NC2=CC=C1	REAL300012098622	0	43	0.0	-68.68	350.46	8.41	-60.27
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012098623	0	42	0.0	-73.77	348.83	6.96	-66.81
CC1=CC=C2C=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)NC2=C1	REAL300012098624	0	43	0.0	-67.76	350.87	8.42	-59.34
CCOC1=CN=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098625	0	42	0.0	-68.57	343.91	6.23	-62.34
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012098626	0	47	0.0	-70.09	373.27	6.44	-63.65
CCC(F)(F)C(C)(C)C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098627	0	44	0.0	-61.61	337.12	8.19	-53.42
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012098628	0	39	0.0	-79.66	334.25	5.05	-74.61
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012098629	0	38	0.0	-71.90	327.04	6.90	-65.00
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C#N)=CC=C1N(C)C	REAL300012098630	0	45	0.0	-67.34	370.75	8.23	-59.11
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012098631	1	46	0.0	-76.58	372.08	5.27	-71.31
COC1=CN=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1C	REAL300012098632	0	42	0.0	-70.46	340.89	5.67	-64.79
CC1=CC(C)=C(C=CC[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012098633	0	49	0.0	-66.00	387.68	10.95	-55.05
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012098634	0	56	0.0	-67.07	437.64	6.68	-60.39
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC(CC(F)F)NC(=O)OC(C)(C)C	REAL300012098635	0	52	0.0	-71.68	407.85	6.65	-65.03
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012098636	1	46	0.0	-66.46	376.65	5.15	-61.31
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(F)=CC=C1N(C)C	REAL300012098637	0	44	0.0	-61.94	355.23	7.91	-54.03
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012098638	0	41	0.0	-72.83	345.03	8.26	-64.57
CC1=CC(C)=C(C=CC[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1C	REAL300012098639	0	49	0.0	-65.01	384.53	10.83	-54.18
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1	REAL300012098640	0	41	0.0	-79.44	355.88	2.53	-76.91
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012098641	0	45	0.0	-61.80	354.60	8.07	-53.73
CC1=NN(C)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1Cl	REAL300012098642	0	39	0.0	-67.26	340.73	6.22	-61.04
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(C2=NN(C)C=C2)=N1	REAL300012098643	0	42	0.0	-66.50	371.26	6.03	-60.47
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C1CCCC1	REAL300012098644	0	49	0.0	-71.18	389.97	8.47	-62.71
CC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1Br	REAL300012098645	0	39	0.0	-58.02	332.06	8.95	-49.07
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012098646	0	47	0.0	-73.09	396.75	10.47	-62.62
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012098647	0	44	0.0	-70.23	355.35	8.20	-62.03
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C(=O)N(C)C)=C1	REAL300012098648	0	46	0.0	-80.04	374.21	7.39	-72.65
CCC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(Cl)=NN1	REAL300012098649	0	39	0.0	-69.55	335.72	5.95	-63.60
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012098650	0	40	0.0	-61.33	343.98	6.77	-54.56
CC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C2CCCCC2=N1	REAL300012098651	0	48	0.0	-71.14	374.23	8.74	-62.40
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012098652	0	51	0.0	-64.06	390.12	9.33	-54.73
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012098653	1	35	0.0	-72.85	323.26	5.93	-66.92
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012098654	0	39	0.0	-70.43	336.81	8.78	-61.65
COC(=O)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1C	REAL300012098655	0	45	0.0	-71.32	368.46	9.02	-62.30
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012098656	0	43	0.0	-65.32	341.93	7.74	-57.58
CC1=C(Cl)C=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1Cl	REAL300012098657	0	39	0.0	-61.29	343.11	9.28	-52.01
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C#N)=CC=C1Br	REAL300012098658	0	37	0.0	-69.12	333.84	8.79	-60.33
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2OC(C)CC2=C1	REAL300012098659	0	44	0.0	-68.43	354.50	8.40	-60.03
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012098660	0	39	0.0	-81.78	333.39	5.06	-76.72
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012098661	0	41	0.0	-65.28	337.40	7.39	-57.89
CSCC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098662	0	43	0.0	-67.70	367.77	9.48	-58.22
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012098663	0	46	0.0	-72.05	373.88	8.31	-63.74
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C2COCCC2=NN1C	REAL300012098664	0	44	0.0	-74.33	356.08	5.18	-69.15
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C2CCCC2=NN1C	REAL300012098665	0	43	0.0	-69.97	344.34	7.30	-62.67
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012098666	0	43	0.0	-73.42	350.42	7.36	-66.06
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012098667	0	43	0.0	-68.87	345.79	7.60	-61.27
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098668	0	49	0.0	-57.71	399.98	9.38	-48.33
COC(=O)COC1=CC=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098669	0	46	0.0	-59.28	382.08	8.78	-50.50
COC1=CC=C(C)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098670	0	43	0.0	-65.53	341.94	7.73	-57.80
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C2C(=CC=C1)N=CN2C	REAL300012098671	0	42	0.0	-73.27	340.05	8.80	-64.47
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(=O)N(C)C)C=C1	REAL300012098672	0	46	0.0	-82.20	370.94	7.27	-74.93
CC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=C1C	REAL300012098673	0	45	0.0	-63.05	347.17	9.54	-53.51
CCNC(=O)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098674	0	46	0.0	-80.02	379.61	6.71	-73.31
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1C(C)(C)C	REAL300012098675	0	48	0.0	-59.83	348.24	9.87	-49.96
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012098676	0	46	0.0	-73.95	357.71	7.97	-65.98
COC1=CC=C2SC(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)=CC2=C1	REAL300012098677	0	43	0.0	-68.83	368.58	8.38	-60.45
CCN(CC)C(=O)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098678	0	52	0.0	-80.68	413.90	9.34	-71.34
CCN1CCC2=CC(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)=CC=C21	REAL300012098679	0	48	0.0	-65.51	376.92	8.45	-57.06
CCN(C)C(=O)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098680	0	49	0.0	-81.61	394.51	8.43	-73.18
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=NN1C(C)C	REAL300012098681	0	45	0.0	-68.60	360.56	7.59	-61.01
CSC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1Cl	REAL300012098682	0	40	0.0	-67.36	352.84	9.29	-58.07
CC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1C1CC1	REAL300012098683	0	46	0.0	-63.98	364.65	10.43	-53.55
CCOC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=N1	REAL300012098684	0	42	0.0	-70.95	346.56	5.46	-65.49
CC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1C1CC1	REAL300012098685	0	46	0.0	-63.90	364.05	10.45	-53.45
CC1=NN(C2=CC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C(C)=C2)C=C1	REAL300012098686	0	49	0.0	-77.19	396.74	9.96	-67.23
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012098687	0	42	0.0	-72.37	372.85	9.46	-62.91
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098688	0	46	0.0	-69.96	388.51	10.06	-59.90
CCC1=CC(Br)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)S1	REAL300012098689	0	39	0.0	-64.32	354.68	8.79	-55.53
CC1=NN(C2=CC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C=C2)C=C1Cl	REAL300012098690	0	46	0.0	-76.56	398.56	9.85	-66.71
COC(=O)C1=CC2=C(C=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)O2)N1	REAL300012098691	0	43	0.0	-76.19	366.20	6.61	-69.58
COCCOC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)O1	REAL300012098692	0	44	0.0	-69.62	370.88	6.31	-63.31
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC(C)(C)C1=CC=C(Br)C=C1	REAL300012098693	0	45	0.0	-67.58	371.01	9.89	-57.69
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098694	0	48	0.0	-70.94	385.09	7.88	-63.06
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012098695	0	36	0.0	-68.16	335.64	8.94	-59.22
CC1=CC=C(C2=CC=CC=C2C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012098696	0	52	0.0	-57.22	408.20	12.31	-44.91
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C1CC1	REAL300012098697	0	43	0.0	-71.51	356.53	7.56	-63.95
COC1=CC=CC(C2=CSC(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)=N2)=C1	REAL300012098698	0	46	0.0	-65.54	390.19	7.88	-57.66
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1	REAL300012098699	0	56	0.0	-72.30	449.54	8.04	-64.26
COC(=O)C1=C2COCCN2C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098700	0	48	0.0	-71.78	391.03	7.17	-64.61
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012098701	0	53	0.0	-75.65	417.19	9.51	-66.14
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C2CC2)=NN1C	REAL300012098702	0	43	0.0	-73.44	353.97	7.23	-66.21
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098703	0	46	0.0	-71.44	368.34	10.80	-60.64
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300012098704	0	39	0.0	-75.04	359.84	9.66	-65.38
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012098705	0	40	0.0	-73.15	354.31	6.11	-67.04
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012098706	0	46	0.0	-69.21	369.89	4.27	-64.94
COC1=NC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1F	REAL300012098707	0	39	0.0	-77.07	334.32	4.32	-72.75
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012098708	0	36	0.0	-59.10	333.77	8.46	-50.64
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012098709	0	36	0.0	-74.90	328.43	8.52	-66.38
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012098710	0	36	0.0	-77.89	315.00	7.79	-70.10
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C(C(C)(C)C)O1	REAL300012098711	0	48	0.0	-65.22	385.60	9.13	-56.09
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012098712	1	45	0.0	-67.55	379.80	7.90	-59.65
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1	REAL300012098713	0	56	0.0	-71.57	425.36	8.60	-62.97
CC1=CC(Br)=CN=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098714	0	38	0.0	-63.51	334.21	6.90	-56.61
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012098715	0	42	0.0	-78.59	375.53	5.49	-73.10
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2OC(C)C(C)C2=C1	REAL300012098716	0	47	0.0	-66.99	371.02	8.92	-58.07
CC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OC(F)F	REAL300012098717	0	43	0.0	-67.43	356.95	8.15	-59.28
CC1=NC(Cl)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1Br	REAL300012098718	0	38	0.0	-64.75	348.33	7.32	-57.43
CC(C)CC1=CC=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098719	0	48	0.0	-62.41	367.57	10.19	-52.22
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(S(C)(=O)=O)N(C)N=C1	REAL300012098720	1	42	0.0	-70.09	350.06	3.17	-66.92
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)NN=C1C(F)(F)F	REAL300012098721	0	39	0.0	-74.25	335.35	5.68	-68.57
CC(C)CN1C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)N=N1	REAL300012098722	1	44	0.0	-65.66	361.16	6.42	-59.24
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012098723	0	39	0.0	-68.70	337.48	6.79	-61.91
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012098724	0	36	0.0	-77.69	322.71	4.90	-72.79
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012098725	0	41	0.0	-64.97	333.47	7.67	-57.30
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(S(C)(=O)=O)SC=C1	REAL300012098726	1	39	0.0	-66.66	341.52	4.42	-62.24
CSC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098727	0	40	0.0	-69.63	341.86	8.58	-61.05
CC(C)C1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)N(C)N=C1	REAL300012098728	0	45	0.0	-71.03	363.80	7.06	-63.97
CC1=C(Br)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C(C)S1	REAL300012098729	0	39	0.0	-59.32	349.45	8.49	-50.83
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C1=CC=CC(F)=C1	REAL300012098730	0	46	0.0	-71.25	383.52	9.04	-62.21
CCCN1C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=N1	REAL300012098731	0	45	0.0	-71.24	367.13	7.57	-63.67
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012098732	0	38	0.0	-73.26	324.28	6.30	-66.96
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012098733	0	43	0.0	-63.94	362.82	10.06	-53.88
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012098734	0	44	0.0	-67.89	358.16	8.80	-59.09
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012098735	0	40	0.0	-63.61	349.16	7.63	-55.98
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012098736	0	42	0.0	-73.37	372.84	9.45	-63.92
CC1=NC=CN1C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012098737	0	49	0.0	-75.23	396.22	10.65	-64.58
CC1=C(C)N(C2=CC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C=C2)C=N1	REAL300012098738	0	49	0.0	-76.72	399.37	11.18	-65.54
CNC(=O)C1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098739	0	43	0.0	-78.13	358.12	5.84	-72.29
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012098740	0	50	0.0	-64.43	392.59	11.85	-52.58
CCNC(=O)C1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098742	0	46	0.0	-77.82	379.61	6.68	-71.14
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)OC2=CC=C(F)C=C12	REAL300012098743	0	42	0.0	-69.57	356.34	8.79	-60.78
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012098744	0	43	0.0	-72.84	348.76	6.47	-66.37
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1C	REAL300012098745	0	46	0.0	-72.25	377.69	8.94	-63.31
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=CC(C(C)(C)C)=C1	REAL300012098746	0	47	0.0	-68.80	369.02	8.32	-60.48
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300012098747	0	39	0.0	-68.09	359.48	9.69	-58.40
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012098748	0	39	0.0	-65.53	343.93	6.65	-58.88
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012098749	0	46	0.0	-63.48	365.84	9.73	-53.75
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC2=C(CCCC2)N1C	REAL300012098750	0	46	0.0	-73.74	364.36	8.23	-65.51
COC1=NC(Cl)=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098751	0	39	0.0	-73.05	344.28	4.76	-68.29
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C(F)(F)F	REAL300012098752	0	39	0.0	-63.36	336.06	6.67	-56.69
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012098753	0	39	0.0	-62.78	333.44	8.69	-54.09
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012098754	0	44	0.0	-65.03	344.32	7.82	-57.21
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098755	0	43	0.0	-61.31	364.35	8.62	-52.69
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012098756	0	40	0.0	-63.46	337.03	5.15	-58.31
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012098757	0	43	0.0	-71.27	360.46	7.75	-63.52
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012098758	0	43	0.0	-64.97	345.93	8.38	-56.59
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012098759	0	38	0.0	-82.89	336.27	8.31	-74.58
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012098760	0	49	0.0	-64.48	382.28	8.87	-55.61
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012098761	0	43	0.0	-65.66	371.48	9.28	-56.38
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012098762	0	36	0.0	-61.92	329.53	8.49	-53.43
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N(C)CCO)N=C1	REAL300012098763	0	47	0.0	-68.42	377.19	5.39	-63.03
COC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=CC=C1C(C)(C)C	REAL300012098764	0	52	0.0	-60.29	391.07	9.55	-50.74
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC(Br)=CN1C	REAL300012098765	1	36	0.0	-74.54	319.83	6.69	-67.85
COC1=CC(C)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=N1	REAL300012098766	0	42	0.0	-70.22	343.96	4.89	-65.33
COC1=CC(C)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1O	REAL300012098767	0	44	0.0	-70.32	353.22	5.50	-64.82
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012098768	0	42	0.0	-63.90	358.41	6.68	-57.22
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC=CC=C2N(C)C1=O	REAL300012098769	0	45	0.0	-61.48	368.13	8.34	-53.14
COC1=NC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1C	REAL300012098770	0	42	0.0	-68.18	344.92	5.21	-62.97
CC1=CC(C)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=C1Br	REAL300012098771	0	45	0.0	-63.83	367.07	9.97	-53.86
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012098772	0	43	0.0	-69.91	354.72	7.77	-62.14
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012098773	0	49	0.0	-65.68	392.77	11.09	-54.59
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098774	0	46	0.0	-73.32	397.84	8.36	-64.96
CCC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=NN1CC	REAL300012098775	0	45	0.0	-66.85	356.98	7.74	-59.11
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012098776	1	36	0.0	-63.41	324.41	8.37	-55.04
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(NC(=O)OC(C)(C)C)=C1	REAL300012098777	0	53	0.0	-72.10	423.46	7.82	-64.28
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012098778	0	40	0.0	-73.07	341.32	7.37	-65.70
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C(F)(F)F)=CO1	REAL300012098779	0	39	0.0	-67.94	336.96	7.60	-60.34
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C(C)(F)F)=C1	REAL300012098780	0	42	0.0	-72.59	354.85	9.09	-63.50
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012098781	0	42	0.0	-68.40	360.54	8.60	-59.80
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=CN(C)N=C1	REAL300012098782	0	43	0.0	-71.45	358.12	5.51	-65.94
CCCN1N=C(C)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1Cl	REAL300012098783	0	45	0.0	-62.86	379.07	8.09	-54.77
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C(C)(C)C#N)S1	REAL300012098784	0	42	0.0	-71.06	364.27	7.14	-63.92
COC1=CC=C(Br)C(F)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098785	0	40	0.0	-63.64	351.67	7.81	-55.83
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(F)C=C(C#N)C=C1Br	REAL300012098786	1	37	0.0	-65.95	341.79	8.71	-57.24
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012098787	0	36	0.0	-71.30	314.87	8.00	-63.30
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012098788	0	43	0.0	-69.01	367.21	9.99	-59.02
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C(C)(C)C)=NN1	REAL300012098789	0	45	0.0	-70.89	363.63	6.41	-64.48
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012098790	0	42	0.0	-67.00	355.29	10.46	-56.54
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012098791	0	36	0.0	-73.73	337.55	8.93	-64.80
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012098792	0	53	0.0	-58.54	407.18	10.65	-47.89
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012098793	0	47	0.0	-71.58	407.08	10.94	-60.64
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012098794	0	56	0.0	-68.40	431.79	11.07	-57.33
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1	REAL300012098795	0	50	0.0	-60.14	424.22	11.70	-48.44
COC1=CC=CC(OC2=CC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C=C2)=C1	REAL300012098796	0	51	0.0	-71.10	415.82	9.97	-61.13
CCN1CCCC2=CC(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)=CC=C21	REAL300012098797	0	51	0.0	-64.07	386.56	8.84	-55.23
COCC1=CN=C(OC)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098798	0	46	0.0	-64.91	381.54	4.10	-60.81
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Br)N(C)N=C1	REAL300012098799	0	36	0.0	-63.26	320.38	6.03	-57.23
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098800	0	51	0.0	-72.39	420.94	10.35	-62.04
COC1=C(Br)C=CC(F)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098801	0	40	0.0	-61.42	352.82	7.89	-53.53
COCC1=CC=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098802	0	43	0.0	-65.49	344.05	7.66	-57.83
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012098803	0	49	0.0	-70.71	410.77	12.27	-58.44
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012098804	0	40	0.0	-72.15	358.05	9.02	-63.13
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300012098805	0	50	0.0	-70.51	429.65	11.37	-59.14
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012098806	0	49	0.0	-72.19	394.84	8.24	-63.95
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012098807	0	44	0.0	-66.69	351.33	7.91	-58.78
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)SC2=CC(F)=CC=C12	REAL300012098808	0	42	0.0	-66.61	362.19	9.70	-56.91
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012098809	0	42	0.0	-78.13	356.27	5.74	-72.39
COC1=CC=C(F)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1OC	REAL300012098810	0	44	0.0	-61.32	363.13	7.14	-54.18
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=NN(C)C=C1	REAL300012098811	0	43	0.0	-63.28	363.88	5.45	-57.83
CC1=CC=C(F)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1Br	REAL300012098812	0	39	0.0	-60.13	343.25	8.65	-51.48
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012098813	0	59	0.0	-59.03	449.77	12.13	-46.90
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012098814	0	50	0.0	-69.05	401.24	9.92	-59.13
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1C(C)(F)F	REAL300012098815	0	42	0.0	-60.33	338.22	9.33	-51.00
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OCCO	REAL300012098816	0	48	0.0	-72.01	389.59	4.86	-67.15
CCN1C=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C2CC2)=N1	REAL300012098817	0	46	0.0	-71.58	378.04	8.41	-63.17
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1OCCO	REAL300012098818	0	48	0.0	-72.53	389.59	4.86	-67.67
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C1=CC=NN1C	REAL300012098819	0	46	0.0	-77.72	386.66	6.55	-71.17
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CON=C1C(C)(C)C	REAL300012098820	0	44	0.0	-71.80	344.99	7.34	-64.46
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012098821	0	41	0.0	-71.25	338.61	8.30	-62.95
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC=C1OCC1CCCO1	REAL300012098822	0	55	0.0	-73.81	435.30	8.45	-65.36
CC1=CC2=CC=CC(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)=C2O1	REAL300012098823	0	42	0.0	-68.57	350.87	8.72	-59.85
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012098824	0	39	0.0	-67.50	331.52	8.91	-58.59
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012098825	0	43	0.0	-62.61	376.55	8.33	-54.28
COC1=CSC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1OC	REAL300012098826	0	41	0.0	-62.94	346.77	5.96	-56.98
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CON=C1C1CCC1	REAL300012098827	0	42	0.0	-70.10	342.32	7.90	-62.20
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012098828	0	45	0.0	-73.58	398.97	9.31	-64.27
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012098829	1	39	0.0	-60.94	345.75	6.71	-54.23
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(S(C)(=O)=O)C=CS1	REAL300012098830	1	39	0.0	-67.98	339.41	4.49	-63.49
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(S(C)(=O)=O)=CO1	REAL300012098831	0	39	0.0	-75.03	341.43	3.41	-71.62
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012098832	0	39	0.0	-64.86	341.91	8.85	-56.01
CC(C)OC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1F	REAL300012098833	0	46	0.0	-68.62	373.12	8.74	-59.88
CCN1C=C(Cl)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=N1	REAL300012098834	1	39	0.0	-63.03	342.62	6.63	-56.40
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012098835	0	36	0.0	-74.89	324.16	8.42	-66.47
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012098836	0	39	0.0	-71.74	333.83	8.43	-63.31
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012098837	0	42	0.0	-61.39	348.14	10.08	-51.31
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(S(C)(=O)=O)=CS1	REAL300012098838	0	39	0.0	-72.49	349.85	4.43	-68.06
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=NN1C1CCC1	REAL300012098839	0	46	0.0	-68.51	365.33	8.31	-60.20
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012098840	0	43	0.0	-69.90	373.18	9.56	-60.34
CC1=NN(C2CCCC2)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098841	0	49	0.0	-73.87	389.74	8.64	-65.23
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012098842	0	39	0.0	-74.95	323.74	6.63	-68.32
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Br)C=C1OC1CC1	REAL300012098843	0	44	0.0	-67.70	382.06	9.24	-58.46
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1N(C)C	REAL300012098844	0	46	0.0	-69.80	378.31	8.48	-61.32
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012098845	0	39	0.0	-66.51	339.28	9.27	-57.24
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012098846	0	36	0.0	-62.25	336.36	8.81	-53.44
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012098847	1	35	0.0	-62.52	316.18	6.19	-56.33
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012098848	0	43	0.0	-70.23	362.86	9.10	-61.13
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(F)C=NC=C1N(C)C	REAL300012098849	0	43	0.0	-62.60	351.44	5.92	-56.68
COC1=NC(C)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=C1Cl	REAL300012098850	0	45	0.0	-74.30	375.92	5.79	-68.51
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098851	1	45	0.0	-73.98	376.56	7.89	-66.09
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012098852	0	43	0.0	-65.59	343.73	7.40	-58.19
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012098853	0	39	0.0	-65.03	337.90	6.45	-58.58
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012098854	0	40	0.0	-66.90	347.57	7.00	-59.90
CC1=NN(C2CCCCC2)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098855	0	52	0.0	-65.28	401.92	9.46	-55.82
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012098856	0	47	0.0	-68.63	373.04	6.46	-62.17
CC1=NN(C2CCOCC2)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098857	0	50	0.0	-66.35	393.45	6.99	-59.36
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012098858	0	41	0.0	-64.30	362.68	8.70	-55.60
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012098859	0	46	0.0	-62.14	367.41	7.90	-54.24
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(S(N)(=O)=O)=CS1	REAL300012098860	0	38	0.0	-72.26	343.37	1.83	-70.43
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012098861	1	35	0.0	-62.87	327.49	6.65	-56.22
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012098862	0	51	0.0	-80.49	407.78	7.08	-73.41
CC1=NN(C2CCCC2)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098863	0	49	0.0	-65.49	382.95	8.85	-56.64
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012098864	0	39	0.0	-63.30	320.78	8.77	-54.53
CC1=CC(Br)=C(F)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098865	0	39	0.0	-69.92	344.14	9.13	-60.79
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012098866	0	36	0.0	-73.66	337.71	8.94	-64.72
COC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1Br	REAL300012098867	0	40	0.0	-59.38	342.51	7.72	-51.66
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012098868	0	36	0.0	-75.41	324.60	8.43	-66.98
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C2=CN(C)N=C2)=C1	REAL300012098869	0	46	0.0	-68.27	377.74	9.11	-59.16
COC1=CC(F)=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1Br	REAL300012098870	0	40	0.0	-64.60	353.09	7.81	-56.79
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012098871	0	46	0.0	-83.98	384.19	10.23	-73.75
CC1=CC=C(Br)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098872	0	39	0.0	-66.51	333.76	9.05	-57.46
COC1=C(C#N)C=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098873	0	41	0.0	-67.63	347.32	7.64	-59.99
COC1=NC2=CC=C(C[NH2+]C(C)CN3C=C(C(=O)[O-])C=N3)C=C2S1	REAL300012098874	0	42	0.0	-72.55	362.02	5.64	-66.91
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=NC(Br)=C1	REAL300012098875	0	35	0.0	-70.19	313.96	6.55	-63.64
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012098876	0	36	0.0	-68.73	331.08	8.82	-59.91
CC1=NC(Cl)=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098877	0	38	0.0	-75.66	328.44	6.80	-68.86
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(OCC(C)(C)C)=C1	REAL300012098878	0	52	0.0	-68.47	413.44	9.91	-58.56
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012098879	0	36	0.0	-69.17	339.65	8.97	-60.20
COC1=CC(Cl)=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098880	0	40	0.0	-67.04	343.85	7.63	-59.41
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012098881	0	39	0.0	-66.89	349.23	9.16	-57.73
COC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CC(F)=C1F	REAL300012098882	0	40	0.0	-77.75	339.64	7.25	-70.50
COC1=CC(C)=NC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098883	0	42	0.0	-65.27	346.90	5.76	-59.51
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CNN=C1C1=CC=NN1C	REAL300012098884	0	43	0.0	-79.38	364.27	5.19	-74.19
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C2CC2)=NO1	REAL300012098885	0	42	0.0	-70.65	350.91	7.97	-62.68
COC(=O)C1=C(C)NC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1C	REAL300012098886	0	46	0.0	-71.99	381.30	7.50	-64.49
CC(C)OC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)O1	REAL300012098887	0	43	0.0	-66.95	353.53	8.05	-58.90
CC1=CC(Br)=CC(C)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098888	0	42	0.0	-68.69	356.10	9.23	-59.46
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012098889	0	37	0.0	-66.22	331.08	5.55	-60.67
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012098890	0	39	0.0	-61.61	341.72	6.63	-54.98
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(F)=CC(C#N)=C1	REAL300012098891	0	37	0.0	-74.36	324.88	8.28	-66.08
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012098892	0	52	0.0	-66.01	403.50	11.38	-54.63
COC1=CC=CC=C1C=CC[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098893	0	44	0.0	-63.71	357.03	8.47	-55.24
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)SC(Br)=C1	REAL300012098894	0	36	0.0	-65.47	332.06	7.98	-57.49
CC1=NN(C2CCC2)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098895	0	46	0.0	-65.74	365.43	8.18	-57.56
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=NN1CC(F)F	REAL300012098896	0	42	0.0	-69.01	356.18	6.96	-62.05
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012098897	0	44	0.0	-72.04	366.80	8.17	-63.87
CCCN1N=C(C)C(Cl)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098898	0	45	0.0	-66.62	384.03	7.83	-58.79
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098899	0	48	0.0	-78.00	399.77	9.65	-68.35
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(C2=CC=CO2)=NN1C	REAL300012098900	0	43	0.0	-72.09	360.93	7.07	-65.02
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012098901	0	49	0.0	-67.29	404.45	12.04	-55.25
CCCCC(=O)NC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098902	0	52	0.0	-74.92	421.31	8.82	-66.10
COC1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=N1	REAL300012098903	0	42	0.0	-73.08	344.32	4.81	-68.27
CCN(C)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C(C)=C1	REAL300012098904	0	50	0.0	-62.73	385.74	9.78	-52.95
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012098905	0	35	0.0	-64.49	328.93	6.78	-57.71
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012098906	0	33	0.0	-61.14	319.08	7.85	-53.29
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C(C)(C)C)N=C1C(C)(C)C	REAL300012098907	0	57	0.0	-63.16	423.31	9.81	-53.35
COC1=CC(C)=CC(OC)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098908	0	47	0.0	-57.30	375.33	7.20	-50.10
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012098909	0	40	0.0	-70.08	359.64	8.17	-61.91
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012098910	0	46	0.0	-70.10	386.19	10.65	-59.45
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012098911	0	39	0.0	-68.24	334.54	9.19	-59.05
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012098912	0	45	0.0	-71.95	371.06	9.23	-62.72
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1	REAL300012098913	0	58	0.0	-70.79	460.53	12.48	-58.31
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C(C(C)(C)C)ON=C1	REAL300012098914	0	44	0.0	-66.60	344.78	7.61	-58.99
CC1=CC=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1C(F)(F)F	REAL300012098915	0	42	0.0	-63.08	342.64	9.42	-53.66
CCC(C)C1=CC=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=C1	REAL300012098916	0	48	0.0	-66.01	380.32	10.16	-55.85
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012098917	0	38	0.0	-72.91	345.60	6.90	-66.01
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012098918	0	41	0.0	-68.17	362.67	8.19	-59.98
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012098919	0	43	0.0	-72.64	358.54	6.47	-66.17
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC(Br)=CC=C2S1	REAL300012098920	0	39	0.0	-67.97	360.30	9.71	-58.26
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=NC=C(CC2=CC=CC=C2)N1C	REAL300012098921	0	49	0.0	-75.20	403.20	10.17	-65.03
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C(C)(F)F)=N1	REAL300012098922	0	41	0.0	-67.34	350.75	7.51	-59.83
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012098923	0	36	0.0	-70.37	329.76	8.55	-61.82
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012098924	0	36	0.0	-65.06	339.31	8.92	-56.14
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012098925	0	46	0.0	-64.11	352.96	10.18	-53.93
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012098926	0	38	0.0	-81.45	351.16	8.86	-72.59
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098927	0	43	0.0	-69.28	358.11	9.73	-59.55
COC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=CC(Br)=C1F	REAL300012098928	0	40	0.0	-66.62	354.00	7.88	-58.74
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012098929	0	39	0.0	-64.05	341.10	8.84	-55.21
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012098930	0	42	0.0	-82.87	354.01	7.48	-75.39
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C=CC2=CC=CC=C21	REAL300012098931	0	45	0.0	-66.54	355.10	10.51	-56.03
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098932	0	54	0.0	-65.16	422.81	9.46	-55.70
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012098933	0	42	0.0	-71.13	362.17	10.59	-60.54
COC1=C2C=CNC2=CC=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098934	0	44	0.0	-70.27	362.52	6.98	-63.29
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012098935	0	49	0.0	-68.13	389.25	4.57	-63.56
COC1=CC=C(OC)C(OC)=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098936	0	48	0.0	-58.91	385.96	6.46	-52.45
CCCN1N=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1C	REAL300012098937	0	45	0.0	-68.75	362.30	7.68	-61.07
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012098938	0	53	0.0	-64.42	408.11	9.18	-55.24
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012098939	0	50	0.0	-63.99	410.67	11.31	-52.68
CC1=C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)C2=NC=CC=C2C=C1	REAL300012098940	0	44	0.0	-65.26	358.34	8.60	-56.66
CC1=CC(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=CN=C1N1C=CC=N1	REAL300012098941	0	45	0.0	-74.36	369.75	9.16	-65.20
COC(=O)C1=CN(C)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1	REAL300012098942	0	43	0.0	-69.17	359.54	7.93	-61.24
COC1=CC=C(Br)C(C[NH2+]C(C)CN2C=C(C(=O)[O-])C=N2)=C1O	REAL300012098943	0	41	0.0	-60.49	354.60	5.49	-55.00
CCCN1N=C(C)C=C1C[NH2+]C(C)CN1C=C(C(=O)[O-])C=N1	REAL300012098944	0	45	0.0	-67.90	349.20	7.51	-60.39
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN(C)N=C1C1CCC1	REAL300012098945	0	46	0.0	-71.40	372.84	7.99	-63.41
CC(CN1C=C(C(=O)[O-])C=N1)[NH2+]CC1=CN=C(C(C)(C)C)O1	REAL300012098946	0	44	0.0	-67.45	356.82	5.31	-62.14
CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C)=C1	REAL300012098947	0	42	0.0	-25.91	357.56	10.93	-14.98
CC1=CC=C(C)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012098948	0	42	0.0	-26.24	359.24	11.00	-15.24
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012098949	0	41	0.0	-31.83	367.76	10.12	-21.71
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1CC2C=CC1C2	REAL300012098950	0	41	0.0	-28.43	343.85	10.30	-18.13
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1CCCCC1	REAL300012098951	0	42	0.0	-29.10	347.65	10.10	-19.00
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012098952	0	48	0.0	-27.77	402.88	12.11	-15.66
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012098953	0	43	0.0	-26.61	381.50	9.64	-16.97
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(Br)O1	REAL300012098954	0	33	0.0	-31.21	327.76	8.58	-22.63
CC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1C	REAL300012098955	0	42	0.0	-25.84	353.84	10.83	-15.01
CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1C	REAL300012098956	0	42	0.0	-27.87	365.10	10.99	-16.88
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012098957	0	46	0.0	-28.56	392.91	10.69	-17.87
CCC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012098958	0	45	0.0	-29.67	396.45	11.69	-17.98
COC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(Cl)=C1	REAL300012098959	0	40	0.0	-30.40	367.58	9.53	-20.87
N#CC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012098960	0	37	0.0	-35.96	345.86	10.13	-25.83
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CSC2=CC=CC=C12	REAL300012098961	0	39	0.0	-27.91	360.37	11.10	-16.81
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012098962	0	42	0.0	-29.90	371.35	10.21	-19.69
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])O1	REAL300012098963	0	43	0.0	-27.59	378.49	8.65	-18.94
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012098964	0	42	0.0	-29.14	376.21	7.88	-21.26
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(Cl)S1	REAL300012098965	0	33	0.0	-30.08	333.95	9.51	-20.57
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012098966	0	41	0.0	-31.89	366.13	10.36	-21.53
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012098967	0	43	0.0	-32.14	383.67	10.93	-21.21
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012098968	0	42	0.0	-33.86	378.60	12.25	-21.61
CCC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])O1	REAL300012098969	0	39	0.0	-26.88	350.49	9.55	-17.33
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(F)=CC=C1F	REAL300012098970	0	36	0.0	-29.82	336.99	9.86	-19.96
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012098971	0	36	0.0	-23.96	343.59	10.20	-13.76
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012098972	0	36	0.0	-30.37	349.27	10.35	-20.02
CCOC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012098973	0	43	0.0	-30.58	376.36	9.97	-20.61
CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1F	REAL300012098974	0	39	0.0	-31.44	353.40	10.50	-20.94
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012098975	0	36	0.0	-27.37	354.84	10.75	-16.62
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012098976	0	36	0.0	-33.55	344.37	9.93	-23.62
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012098977	0	39	0.0	-26.73	362.41	11.31	-15.42
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012098978	0	36	0.0	-30.45	349.28	10.36	-20.09
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CN=C1Cl	REAL300012098979	0	35	0.0	-25.66	333.29	8.44	-17.22
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012098980	0	45	0.0	-30.77	388.24	9.35	-21.42
COC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1Cl	REAL300012098981	0	40	0.0	-29.36	370.89	9.60	-19.76
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012098982	0	42	0.0	-30.90	369.21	9.03	-21.87
CCCOC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012098983	0	46	0.0	-30.40	397.86	10.77	-19.63
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012098984	0	46	0.0	-31.03	395.60	10.65	-20.38
CC(C)C1=NC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CS1	REAL300012098985	0	41	0.0	-24.73	372.79	8.81	-15.92
CC(C)(C)C1=NC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CS1	REAL300012098986	0	44	0.0	-24.64	391.72	9.32	-15.32
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])OC=C1	REAL300012098987	0	36	0.0	-26.64	327.64	8.57	-18.07
CC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CN=C1Cl	REAL300012098988	0	38	0.0	-30.03	354.98	8.91	-21.12
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012098989	0	41	0.0	-31.83	371.72	10.39	-21.44
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012098990	0	41	0.0	-25.88	371.53	10.34	-15.54
COC1=CC=C2OC(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])=CC2=C1	REAL300012098991	0	43	0.0	-29.57	383.68	9.60	-19.97
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012098992	0	40	0.0	-31.48	374.40	11.57	-19.91
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C2=CC=CC=C2O1	REAL300012098993	0	42	0.0	-29.88	373.64	10.88	-19.00
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=COC2=CC=CC=C12	REAL300012098994	0	39	0.0	-31.50	354.26	10.18	-21.32
CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])N=C1	REAL300012098995	0	38	0.0	-31.46	343.05	8.58	-22.88
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012098996	0	40	0.0	-36.65	369.28	11.18	-25.47
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012098997	0	43	0.0	-27.81	385.23	10.93	-16.88
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C(Cl)SC=C1	REAL300012098998	0	33	0.0	-24.17	330.57	9.36	-14.81
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012098999	0	40	0.0	-30.05	364.73	9.83	-20.22
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012099000	0	40	0.0	-31.50	364.93	9.78	-21.72
CCOC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099001	0	42	0.0	-25.70	374.04	7.36	-18.34
CC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC2=CC=CN=C12	REAL300012099002	0	44	0.0	-31.45	387.58	11.01	-20.44
CC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC=C1Cl	REAL300012099003	0	39	0.0	-28.34	359.95	10.78	-17.56
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012099004	0	38	0.0	-30.96	357.23	9.23	-21.73
CCCC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099005	0	45	0.0	-26.61	388.86	11.90	-14.71
COC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1C#N	REAL300012099006	0	41	0.0	-34.86	376.40	9.50	-25.36
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099007	0	42	0.0	-25.71	373.40	11.22	-14.49
CCOC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])N=C1	REAL300012099008	0	42	0.0	-31.71	371.72	8.08	-23.63
C=CCOC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099009	0	44	0.0	-31.33	390.59	10.60	-20.73
CC1=CC(C)=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1C	REAL300012099010	0	45	0.0	-26.24	376.24	11.53	-14.71
CC(C)(C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300012099011	0	45	0.0	-29.26	373.08	11.47	-17.79
CC1CCC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])CC1	REAL300012099012	0	45	0.0	-29.10	361.49	10.52	-18.58
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099013	0	48	0.0	-31.28	405.34	12.66	-18.62
CCC1CCCC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C1	REAL300012099014	0	48	0.0	-28.21	385.08	11.34	-16.87
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099015	0	42	0.0	-25.87	375.06	11.37	-14.50
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])=CC2=C1	REAL300012099016	0	45	0.0	-27.21	391.21	11.50	-15.71
CCCC1CCC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])CC1	REAL300012099017	0	51	0.0	-29.12	408.26	12.14	-16.98
CC1CCCCC1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099018	0	45	0.0	-29.78	357.75	10.38	-19.40
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012099019	0	43	0.0	-35.03	382.28	12.17	-22.86
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099020	0	43	0.0	-28.18	374.57	9.80	-18.38
COC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1F	REAL300012099021	0	40	0.0	-30.58	361.09	9.12	-21.46
CC(C)C1CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])CCO1	REAL300012099022	0	49	0.0	-31.04	395.60	9.73	-21.31
CC1(C)CCC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])CC1	REAL300012099023	0	48	0.0	-29.09	381.62	10.98	-18.11
CCSC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099024	0	43	0.0	-31.14	388.01	11.64	-19.50
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012099025	1	37	0.0	-31.07	356.53	7.47	-23.60
COC1(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])CCCCC1	REAL300012099026	0	46	0.0	-26.20	365.40	9.03	-17.17
CCN1N=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C2=CC=CC=C21	REAL300012099027	0	45	0.0	-30.83	397.07	10.51	-20.32
COCCC1(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])CCCCC1	REAL300012099028	0	52	0.0	-28.26	403.30	9.95	-18.31
CCCOC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099029	0	46	0.0	-28.22	397.33	10.71	-17.51
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012099030	0	39	0.0	-27.95	354.20	10.31	-17.64
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012099031	0	43	0.0	-31.66	385.56	11.61	-20.05
CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300012099032	0	41	0.0	-32.48	373.56	11.09	-21.39
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099033	0	46	0.0	-29.16	394.64	10.60	-18.56
CC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC=C1F	REAL300012099034	0	39	0.0	-30.09	353.36	10.46	-19.63
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012099035	0	40	0.0	-26.83	355.79	9.79	-17.04
CC(C)CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099036	0	48	0.0	-27.73	407.78	12.45	-15.28
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012099037	0	36	0.0	-28.94	358.48	10.79	-18.15
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012099038	0	36	0.0	-29.94	349.48	10.40	-19.54
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099039	0	42	0.0	-25.39	354.24	10.70	-14.69
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(Br)=CO1	REAL300012099040	0	33	0.0	-27.99	327.48	8.54	-19.45
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012099041	0	40	0.0	-31.74	364.26	9.33	-22.41
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012099042	0	36	0.0	-24.71	346.78	10.23	-14.48
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012099043	0	36	0.0	-29.38	347.31	10.31	-19.07
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012099044	0	36	0.0	-30.59	339.16	9.96	-20.63
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012099045	0	36	0.0	-34.38	348.09	10.33	-24.05
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012099046	0	43	0.0	-29.28	382.39	9.67	-19.61
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012099046	1	43	0.0	-25.79	382.48	9.60	-16.19
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC(F)=C1F	REAL300012099047	0	36	0.0	-35.79	338.20	9.90	-25.89
CN1C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=NC2=CC=CC=C21	REAL300012099048	0	42	0.0	-34.75	371.43	10.11	-24.64
COC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=N1	REAL300012099049	0	39	0.0	-32.04	353.72	6.48	-25.56
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300012099050	0	41	0.0	-30.07	360.90	9.63	-20.44
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012099051	0	47	0.0	-28.93	398.94	9.69	-19.24
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012099052	0	40	0.0	-29.13	357.35	9.80	-19.33
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099053	0	39	0.0	-28.30	347.91	10.47	-17.83
CC1=NC(C)=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099054	0	38	0.0	-27.63	351.38	8.28	-19.35
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099055	0	43	0.0	-34.14	381.83	8.03	-26.11
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012099056	0	42	0.0	-28.85	371.47	12.01	-16.84
COC1=C2OC(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])=CC2=CC=C1	REAL300012099057	0	43	0.0	-28.64	382.40	9.59	-19.05
COC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC(OC)=C1	REAL300012099058	0	44	0.0	-29.69	384.02	8.39	-21.30
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012099060	0	42	0.0	-40.04	377.04	8.84	-31.20
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012099061	0	43	0.0	-31.98	384.76	9.67	-22.31
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012099062	0	42	0.0	-28.73	379.25	9.63	-19.10
CN1C=NC2=CC(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])=CC=C21	REAL300012099063	0	42	0.0	-31.27	373.75	11.10	-20.17
CCN1N=C(C)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1C	REAL300012099064	0	45	0.0	-28.16	390.39	9.44	-18.72
CC1(C)CC2=CC(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])=CC=C2O1	REAL300012099065	0	47	0.0	-30.27	404.05	11.01	-19.26
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012099066	0	42	0.0	-33.66	381.14	8.11	-25.55
CC1=CC=C(F)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099067	0	39	0.0	-30.09	352.55	10.48	-19.61
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099068	0	39	0.0	-26.68	344.22	10.40	-16.28
CC1=NC=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099069	0	38	0.0	-29.01	332.73	8.41	-20.60
CC1(C)CCCC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C1	REAL300012099070	0	48	0.0	-27.70	380.29	10.94	-16.76
CC1=CCCC(C)C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099071	0	46	0.0	-24.58	370.48	11.07	-13.51
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012099072	0	41	0.0	-27.64	357.59	10.03	-17.61
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099073	0	39	0.0	-27.13	356.92	10.88	-16.25
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012099074	0	40	0.0	-31.69	362.76	11.09	-20.60
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(Cl)N=C1	REAL300012099075	0	35	0.0	-32.77	337.07	8.39	-24.38
CN1N=NC2=CC(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])=CC=C21	REAL300012099076	0	41	0.0	-33.46	369.35	8.20	-25.26
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1CCCCCC1	REAL300012099077	0	45	0.0	-28.51	358.51	10.57	-17.94
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])=C2O1	REAL300012099078	0	47	0.0	-31.17	403.64	11.02	-20.15
COC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099079	0	39	0.0	-25.91	352.19	6.43	-19.48
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012099080	0	43	0.0	-36.38	385.10	10.99	-25.39
CC(C)N1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=N1	REAL300012099081	0	42	0.0	-29.41	369.72	8.98	-20.43
CC1=NC2=CC=C(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])C=C2C=C1	REAL300012099082	0	44	0.0	-31.89	389.04	10.79	-21.10
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012099083	0	38	0.0	-26.89	348.93	8.84	-18.05
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012099084	0	39	0.0	-28.93	360.62	10.38	-18.55
COCC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099085	0	43	0.0	-29.02	381.70	9.49	-19.53
CC(C)(C)C1CCC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])CC1	REAL300012099086	0	54	0.0	-28.80	407.68	11.83	-16.97
CC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C(C)O1	REAL300012099087	0	39	0.0	-29.01	348.47	9.40	-19.61
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012099088	0	47	0.0	-28.98	408.04	11.55	-17.43
CC(C)CC1=NC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099089	0	44	0.0	-28.63	392.74	9.77	-18.86
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300012099090	0	39	0.0	-30.43	355.65	8.94	-21.49
COC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099091	0	40	0.0	-28.92	354.86	9.05	-19.87
CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])O1	REAL300012099092	0	36	0.0	-26.66	327.67	8.70	-17.96
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC=C1	REAL300012099093	0	36	0.0	-27.90	324.99	9.75	-18.15
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099094	0	44	0.0	-27.89	391.32	9.47	-18.42
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012099095	0	42	0.0	-31.54	368.98	8.84	-22.70
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC(Cl)=C1	REAL300012099096	0	36	0.0	-30.44	341.73	10.26	-20.18
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012099097	0	43	0.0	-32.96	384.19	10.96	-22.00
CC(C)(C)N1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=N1	REAL300012099098	0	45	0.0	-31.68	387.77	9.60	-22.08
CC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC(C)=C1	REAL300012099099	0	42	0.0	-28.03	369.15	11.15	-16.88
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(CO)O1	REAL300012099100	0	37	0.0	-29.48	339.09	5.38	-24.10
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CS1	REAL300012099101	0	33	0.0	-28.58	316.90	8.90	-19.68
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099102	0	43	0.0	-33.34	383.04	8.68	-24.66
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC=C1Cl	REAL300012099103	0	36	0.0	-23.60	336.89	10.25	-13.35
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012099104	0	38	0.0	-39.31	353.22	10.42	-28.89
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012099105	0	38	0.0	-36.01	354.90	10.46	-25.55
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012099106	0	42	0.0	-27.86	361.93	11.79	-16.07
CN(C)C1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099107	0	44	0.0	-28.48	378.19	10.20	-18.28
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(Cl)C=C1	REAL300012099108	0	36	0.0	-28.92	342.09	10.27	-18.65
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012099109	0	36	0.0	-25.62	345.99	10.20	-15.42
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(F)C=C1	REAL300012099110	0	36	0.0	-29.58	331.77	9.82	-19.76
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012099111	0	40	0.0	-26.58	362.37	9.32	-17.26
COC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1OC	REAL300012099112	0	44	0.0	-30.66	385.12	9.09	-21.57
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012099113	0	36	0.0	-23.51	353.90	10.64	-12.87
COC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1OC	REAL300012099114	0	44	0.0	-31.07	384.11	8.94	-22.13
COC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(OC)=C1	REAL300012099115	0	44	0.0	-26.16	384.26	8.41	-17.75
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012099116	0	39	0.0	-31.27	365.05	10.79	-20.48
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(F)C=C1F	REAL300012099117	0	36	0.0	-26.16	338.62	9.85	-16.31
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012099118	0	36	0.0	-31.30	353.30	10.69	-20.61
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012099119	0	36	0.0	-29.65	358.60	10.76	-18.89
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1CC=CCC1	REAL300012099120	0	40	0.0	-29.30	339.82	10.02	-19.28
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012099121	0	40	0.0	-31.41	363.73	9.27	-22.14
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012099122	0	39	0.0	-32.14	353.58	10.84	-21.30
COC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099123	0	40	0.0	-31.26	355.84	9.09	-22.17
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099124	0	43	0.0	-29.21	374.00	11.56	-17.65
CC(C)C1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099125	0	45	0.0	-27.27	385.58	11.68	-15.59
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012099126	0	39	0.0	-33.07	365.06	10.78	-22.29
CCOC1=CC=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099127	0	43	0.0	-23.90	374.48	9.98	-13.92
CCOC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099128	0	43	0.0	-29.27	377.99	9.99	-19.28
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC=C1F	REAL300012099129	0	36	0.0	-24.81	329.58	9.82	-14.99
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC(F)=C1	REAL300012099130	0	36	0.0	-31.96	332.73	9.86	-22.10
COC1=CC=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099131	0	40	0.0	-29.32	354.44	9.18	-20.14
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])SC=C1	REAL300012099132	0	36	0.0	-26.74	333.24	9.36	-17.38
CC1=CC=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099133	0	39	0.0	-25.97	336.12	10.27	-15.70
CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099134	0	39	0.0	-27.84	346.40	10.42	-17.42
N#CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099135	0	37	0.0	-33.15	345.33	10.08	-23.07
CSC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099136	0	40	0.0	-29.16	366.90	10.81	-18.35
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012099137	0	36	0.0	-23.63	350.71	10.44	-13.19
CC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099138	0	39	0.0	-27.91	346.41	10.41	-17.50
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CSC=C1	REAL300012099139	0	33	0.0	-27.72	316.66	8.73	-18.99
CCC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099140	0	42	0.0	-27.82	369.57	11.23	-16.59
CC1=CC(C)=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C)=C1	REAL300012099141	0	45	0.0	-24.68	378.09	11.38	-13.30
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C(F)C=CC=C1F	REAL300012099142	0	36	0.0	-26.99	335.10	9.73	-17.26
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012099143	0	36	0.0	-31.36	339.39	9.91	-21.45
CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099144	0	36	0.0	-27.97	337.47	9.65	-18.32
COC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1O	REAL300012099145	0	41	0.0	-30.82	366.94	6.93	-23.89
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099146	0	42	0.0	-31.51	368.22	8.57	-22.94
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099147	0	39	0.0	-26.15	364.83	8.44	-17.71
CCC1=NN(C)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099148	0	42	0.0	-31.64	370.23	8.94	-22.70
CN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300012099149	0	48	0.0	-28.88	392.79	9.76	-19.12
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CN=C1	REAL300012099150	0	35	0.0	-31.22	319.84	8.00	-23.22
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CO1	REAL300012099151	0	33	0.0	-27.70	307.07	7.92	-19.78
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=NC=C1	REAL300012099152	0	35	0.0	-30.15	320.23	7.98	-22.17
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(Cl)O1	REAL300012099153	0	33	0.0	-31.76	324.45	8.51	-23.25
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099154	0	42	0.0	-30.82	380.76	10.61	-20.21
CC1=NOC(C)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099155	0	38	0.0	-28.06	342.49	8.53	-19.53
CC1=NC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CS1	REAL300012099156	0	35	0.0	-25.24	331.58	7.49	-17.75
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012099157	0	42	0.0	-34.22	381.06	9.55	-24.67
CN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=N1	REAL300012099158	0	36	0.0	-30.26	329.49	7.60	-22.66
COC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1C	REAL300012099159	0	43	0.0	-28.69	374.94	9.79	-18.90
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099160	0	45	0.0	-27.07	373.67	8.63	-18.44
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NC=CN1	REAL300012099161	0	33	0.0	-26.75	304.44	6.50	-20.25
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099162	0	44	0.0	-26.94	382.94	8.49	-18.45
CN1C=CN=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099163	0	36	0.0	-34.25	326.00	8.17	-26.08
CC(C)(C)C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099164	0	38	0.0	-26.64	321.22	8.83	-17.81
COC1=CC=C(F)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099165	0	40	0.0	-27.09	360.34	9.15	-17.94
CSC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099166	0	37	0.0	-28.69	358.88	10.07	-18.62
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300012099167	0	39	0.0	-32.41	351.01	8.40	-24.01
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN=CN=C1	REAL300012099168	0	34	0.0	-31.70	315.95	7.80	-23.90
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C(Cl)C=CS1	REAL300012099169	0	33	0.0	-26.93	330.53	9.31	-17.62
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099170	0	40	0.0	-28.40	359.56	9.20	-19.20
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NNC=C1	REAL300012099171	0	33	0.0	-27.41	304.93	6.17	-21.24
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=NN1	REAL300012099171	1	33	0.0	-29.81	304.91	6.14	-23.67
NC(=O)C1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099172	0	40	0.0	-34.63	361.22	6.57	-28.06
COC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC=C1F	REAL300012099173	0	40	0.0	-32.31	362.41	9.16	-23.15
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099174	0	40	0.0	-27.94	369.89	9.65	-18.29
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN=CS1	REAL300012099175	0	32	0.0	-29.53	311.43	7.03	-22.50
CN1C=NC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099176	0	36	0.0	-28.44	325.50	8.88	-19.56
COC(=O)C1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CN1C	REAL300012099177	0	43	0.0	-30.42	383.90	9.88	-20.54
CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1Cl	REAL300012099178	0	39	0.0	-30.37	362.15	10.90	-19.47
COC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC=C1C	REAL300012099179	0	43	0.0	-29.48	376.26	9.83	-19.65
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CSC=N1	REAL300012099180	0	32	0.0	-26.29	310.95	6.81	-19.48
CC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1F	REAL300012099181	0	39	0.0	-25.09	352.52	10.42	-14.67
N#CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(F)=C1	REAL300012099182	0	37	0.0	-36.95	352.73	10.22	-26.73
CC1=NNC(C)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099183	0	39	0.0	-28.03	347.17	7.33	-20.70
CC1=NNC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099184	0	36	0.0	-28.48	323.99	6.76	-21.72
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=NN1	REAL300012099184	1	36	0.0	-27.92	323.17	6.81	-21.11
CN1N=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099185	0	36	0.0	-30.64	326.96	7.39	-23.25
C#CCCOC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099186	0	45	0.0	-30.33	405.27	11.31	-19.02
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012099187	0	39	0.0	-28.21	353.30	10.29	-17.92
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])C=C12	REAL300012099188	0	44	0.0	-36.03	392.95	9.52	-26.51
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300012099189	0	39	0.0	-25.52	362.79	9.03	-16.49
CCC1=NC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CS1	REAL300012099190	0	38	0.0	-25.45	354.39	8.28	-17.17
CC1=NN(C)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099191	0	39	0.0	-32.08	348.75	8.20	-23.88
CCN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=N1	REAL300012099192	0	39	0.0	-29.27	349.71	8.42	-20.85
CN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])N=N1	REAL300012099193	0	35	0.0	-29.35	323.15	6.31	-23.04
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099194	0	40	0.0	-39.36	359.55	6.52	-32.84
CN1C=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099195	0	36	0.0	-27.32	327.89	7.49	-19.83
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1CCCCCCC1	REAL300012099196	0	48	0.0	-26.81	367.15	10.86	-15.95
CC1=CSC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099197	0	35	0.0	-30.20	331.61	7.51	-22.69
COC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1F	REAL300012099198	0	40	0.0	-35.28	361.22	9.14	-26.14
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300012099199	0	43	0.0	-28.09	371.85	11.73	-16.36
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=COC=N1	REAL300012099200	0	32	0.0	-27.17	300.43	4.37	-22.80
CCN1N=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099201	0	39	0.0	-28.57	340.95	8.22	-20.35
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012099202	0	42	0.0	-30.16	374.86	9.55	-20.61
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012099203	0	41	0.0	-32.01	367.63	10.23	-21.78
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])SC=N1	REAL300012099204	0	35	0.0	-27.50	326.99	7.49	-20.01
COC1=CC(F)=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099205	0	40	0.0	-29.51	360.93	9.15	-20.36
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=N1	REAL300012099206	0	46	0.0	-31.19	397.96	9.78	-21.41
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=CS1	REAL300012099207	0	36	0.0	-27.13	333.92	9.50	-17.63
CS(=O)C1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099208	0	41	0.0	-36.20	377.57	8.34	-27.86
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012099209	0	46	0.0	-27.69	389.33	12.25	-15.44
N#CC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099210	0	36	0.0	-38.92	340.42	8.15	-30.77
COC(=O)C1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CN1	REAL300012099211	0	40	0.0	-31.60	368.29	8.20	-23.40
COCC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])O1	REAL300012099212	0	40	0.0	-28.20	361.34	7.78	-20.42
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099213	0	38	0.0	-31.52	337.71	8.40	-23.12
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099214	0	43	0.0	-29.13	375.89	9.84	-19.29
CC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CS1	REAL300012099215	0	36	0.0	-27.66	338.49	9.51	-18.15
CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])N=N1	REAL300012099216	0	37	0.0	-27.24	336.54	7.48	-19.76
CN1N=NC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099217	0	35	0.0	-34.42	319.75	6.15	-28.27
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(Cl)=CS1	REAL300012099218	0	33	0.0	-28.34	333.44	9.43	-18.91
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012099219	0	49	0.0	-26.76	408.02	12.88	-13.88
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])N(C)N=C1	REAL300012099220	0	39	0.0	-28.59	347.24	7.97	-20.62
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099221	0	39	0.0	-27.23	363.15	10.95	-16.28
COCC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099222	0	43	0.0	-29.25	380.43	9.48	-19.77
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012099223	0	43	0.0	-29.03	383.89	11.47	-17.56
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012099224	0	43	0.0	-28.10	375.90	11.90	-16.20
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NC=C(Cl)S1	REAL300012099225	0	32	0.0	-25.17	326.33	7.45	-17.72
C=CN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=N1	REAL300012099226	0	37	0.0	-30.37	339.96	8.76	-21.61
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300012099227	0	46	0.0	-29.39	392.49	10.27	-19.12
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012099228	0	39	0.0	-29.88	359.52	10.68	-19.20
COC1=CC(C)=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C)=N1	REAL300012099229	0	45	0.0	-28.54	387.37	7.52	-21.02
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099230	0	40	0.0	-25.14	365.94	9.47	-15.67
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099231	0	46	0.0	-26.36	387.43	10.26	-16.10
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=NN1C	REAL300012099232	0	39	0.0	-28.82	345.69	8.07	-20.75
CCCN1N=C(C)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1C	REAL300012099233	0	48	0.0	-29.78	409.53	10.11	-19.67
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012099234	0	41	0.0	-31.71	368.63	9.42	-22.29
COCCN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=N1	REAL300012099235	0	43	0.0	-30.07	383.38	7.47	-22.60
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012099236	0	46	0.0	-27.79	392.39	12.35	-15.44
CCOC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1F	REAL300012099237	0	43	0.0	-30.98	384.26	10.09	-20.89
N#CC1=CSC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099238	0	34	0.0	-33.78	336.28	9.30	-24.48
COC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC=C1C#N	REAL300012099239	0	41	0.0	-36.19	376.39	9.49	-26.70
CC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC=C1C#N	REAL300012099240	0	40	0.0	-33.83	366.69	10.68	-23.15
CC1=CN=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099241	0	35	0.0	-30.25	333.04	7.74	-22.51
CC(C)CN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=N1	REAL300012099242	0	45	0.0	-31.73	391.02	9.95	-21.78
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300012099243	0	43	0.0	-26.95	365.53	11.67	-15.28
CCC1=CN=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099244	0	38	0.0	-29.49	353.19	8.47	-21.02
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099245	0	45	0.0	-30.31	386.99	9.53	-20.78
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300012099246	0	39	0.0	-29.21	364.59	9.42	-19.79
CC(C)C1=NC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099247	0	41	0.0	-28.88	375.65	9.10	-19.78
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012099248	0	39	0.0	-36.67	362.87	8.79	-27.88
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])N1	REAL300012099249	0	44	0.0	-36.35	381.39	7.87	-28.48
NC(=O)C1=CSC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099250	0	37	0.0	-37.11	351.36	5.64	-31.47
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099251	0	48	0.0	-27.04	409.23	9.94	-17.10
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012099252	0	42	0.0	-27.84	379.58	9.88	-17.96
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099253	0	42	0.0	-28.38	365.89	11.00	-17.38
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300012099254	0	36	0.0	-31.44	341.54	7.63	-23.81
CC(C)C1=CN=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099255	0	41	0.0	-24.50	372.61	8.99	-15.51
CC(C)(C)C1=CN=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099256	0	44	0.0	-29.55	392.68	9.60	-19.95
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C(C2CC2)N=CS1	REAL300012099257	0	39	0.0	-27.90	360.89	9.23	-18.67
COCCCN1N=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099258	0	46	0.0	-26.90	382.98	8.11	-18.79
CC1=CC(F)=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(Cl)=C1	REAL300012099259	0	39	0.0	-26.42	367.40	10.87	-15.55
CSCC1=CN=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099260	0	39	0.0	-31.69	377.74	8.94	-22.75
CCN1N=C(C)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099261	0	41	0.0	-27.17	365.48	7.38	-19.79
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012099262	0	43	0.0	-28.20	374.22	11.84	-16.36
CC1=NN(C)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099263	0	39	0.0	-30.21	347.58	7.92	-22.29
N#CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1F	REAL300012099264	0	37	0.0	-34.68	352.12	10.18	-24.50
CC1=CC(F)=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(F)=C1	REAL300012099265	0	39	0.0	-26.63	357.34	10.44	-16.19
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099266	0	45	0.0	-27.78	383.74	9.40	-18.38
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CN1	REAL300012099267	0	43	0.0	-30.61	384.25	8.79	-21.82
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099268	0	46	0.0	-32.01	401.98	11.70	-20.31
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099269	0	45	0.0	-24.65	375.06	11.36	-13.29
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NN2CCCCC2=C1	REAL300012099270	0	43	0.0	-26.57	369.60	9.08	-17.49
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012099271	0	42	0.0	-29.39	376.16	9.40	-19.99
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012099272	0	38	0.0	-29.50	348.95	8.61	-20.89
CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(Cl)=C1	REAL300012099273	0	39	0.0	-28.54	359.54	10.91	-17.63
CCC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099274	0	42	0.0	-27.62	369.52	11.20	-16.42
COC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(F)=C1	REAL300012099275	0	40	0.0	-32.60	360.08	9.08	-23.52
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300012099276	0	43	0.0	-27.41	370.54	11.62	-15.79
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099277	0	40	0.0	-28.44	360.15	9.17	-19.27
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012099278	0	38	0.0	-29.49	358.46	9.56	-19.93
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C2CCCN2N=C1	REAL300012099279	0	40	0.0	-32.00	351.79	8.32	-23.68
CCC1=C2OC(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])=CC2=CC=C1	REAL300012099280	0	45	0.0	-27.05	395.80	11.73	-15.32
C=CCCN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])N=N1	REAL300012099281	0	42	0.0	-27.93	377.55	8.43	-19.50
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=NN1CC1CC1	REAL300012099282	0	43	0.0	-29.36	379.85	9.78	-19.58
CCOC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C)=C1	REAL300012099283	0	46	0.0	-27.76	392.81	10.60	-17.16
COC1=NC=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099284	0	39	0.0	-31.32	350.72	6.53	-24.79
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012099285	0	49	0.0	-27.69	409.24	12.99	-14.70
COCC1=CSC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099286	0	40	0.0	-28.09	370.54	8.60	-19.49
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012099287	0	42	0.0	-27.60	368.52	8.28	-19.32
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012099288	0	36	0.0	-27.93	348.24	9.15	-18.78
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012099289	0	36	0.0	-27.46	351.89	10.28	-17.18
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012099290	0	36	0.0	-37.16	343.82	9.97	-27.19
CCCN1N=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099291	0	42	0.0	-27.83	362.15	8.96	-18.87
CCCC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099292	0	42	0.0	-27.45	379.57	11.15	-16.30
CC(C)C1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099293	0	45	0.0	-28.31	386.55	11.71	-16.60
CN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(Cl)=N1	REAL300012099294	0	36	0.0	-26.57	344.43	7.99	-18.58
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012099295	0	49	0.0	-27.49	417.69	13.27	-14.22
COC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC=C1Cl	REAL300012099296	0	40	0.0	-31.10	372.22	9.64	-21.46
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=NN1CC1CCC1	REAL300012099297	0	46	0.0	-27.58	396.33	10.27	-17.31
CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(F)=C1	REAL300012099298	0	39	0.0	-31.42	353.32	10.51	-20.91
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099299	0	43	0.0	-34.54	382.42	8.70	-25.84
CN1N=CC2=CC(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])=CN=C21	REAL300012099300	0	41	0.0	-35.43	369.32	8.91	-26.52
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099301	0	46	0.0	-27.99	388.27	9.73	-18.26
CC1=C(C)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CS1	REAL300012099302	0	39	0.0	-26.16	348.73	10.02	-16.14
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012099303	0	35	0.0	-33.57	344.23	8.45	-25.12
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012099304	0	42	0.0	-28.19	371.89	11.92	-16.27
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099305	0	43	0.0	-29.92	384.11	10.12	-19.80
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099306	0	39	0.0	-28.70	351.86	10.76	-17.94
COC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C(F)C=C1C	REAL300012099307	0	43	0.0	-30.62	380.78	9.88	-20.74
CC(C)(C)C1=CSC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099308	0	44	0.0	-25.43	392.21	9.47	-15.96
COCCC1=NC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099309	0	42	0.0	-29.20	386.88	7.55	-21.65
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012099310	1	37	0.0	-28.37	347.63	7.08	-21.29
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012099311	0	44	0.0	-26.79	369.24	9.66	-17.13
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012099312	0	38	0.0	-38.94	354.44	10.34	-28.60
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012099313	0	41	0.0	-29.80	357.04	9.92	-19.88
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012099314	0	40	0.0	-32.51	362.72	8.20	-24.31
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099315	0	43	0.0	-25.93	380.69	10.05	-15.88
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012099316	0	41	0.0	-35.97	358.76	10.76	-25.21
CC1=COC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099317	0	36	0.0	-27.01	327.67	8.58	-18.43
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(Cl)C=N1	REAL300012099318	0	35	0.0	-32.42	338.36	8.42	-24.00
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099319	0	43	0.0	-30.26	380.30	11.19	-19.07
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN(CCF)N=C1	REAL300012099321	0	39	0.0	-33.25	357.62	8.59	-24.66
CCCC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099323	0	45	0.0	-27.81	391.07	12.01	-15.80
CC1=C2C=C(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])C=NC2=NN1	REAL300012099324	0	41	0.0	-40.13	367.54	8.21	-31.92
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NC=CS1	REAL300012099325	0	32	0.0	-30.23	309.80	6.91	-23.32
CN1N=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C2=CC=CC=C21	REAL300012099326	0	42	0.0	-31.41	376.27	9.71	-21.70
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012099327	0	39	0.0	-30.80	351.91	8.39	-22.41
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300012099327	1	39	0.0	-30.91	353.43	8.44	-22.47
CCC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099328	0	39	0.0	-27.95	358.90	10.41	-17.54
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012099329	0	41	0.0	-30.21	362.76	10.06	-20.15
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])N2C=CC=CC2=N1	REAL300012099330	0	42	0.0	-29.06	371.49	10.75	-18.31
CCC1=NC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])S1	REAL300012099331	0	38	0.0	-28.98	354.53	8.52	-20.46
COC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])SC=C1	REAL300012099332	0	37	0.0	-28.58	346.47	8.21	-20.37
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012099333	0	42	0.0	-30.87	381.20	8.00	-22.87
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CSC=C1Cl	REAL300012099334	0	33	0.0	-28.31	329.40	9.17	-19.14
CCCC(C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300012099335	0	48	0.0	-25.35	401.75	12.33	-13.02
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1CC2CCC1C2	REAL300012099336	0	43	0.0	-28.86	351.61	10.41	-18.45
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(F)N=C1	REAL300012099337	0	35	0.0	-33.85	326.62	7.91	-25.94
CC1(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])CCC1	REAL300012099338	0	39	0.0	-27.83	328.84	9.42	-18.41
CC1(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])CC1	REAL300012099339	0	36	0.0	-28.18	314.75	9.13	-19.05
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1(C(F)F)CC1	REAL300012099340	0	36	0.0	-31.80	325.95	9.35	-22.45
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])NN=C1	REAL300012099341	0	36	0.0	-28.37	323.18	6.78	-21.59
CC1=CNN=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099341	1	36	0.0	-27.03	327.13	6.82	-20.21
CC1=CN=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])N1C	REAL300012099342	0	39	0.0	-24.99	344.26	8.59	-16.40
CC(C)C1CCC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])CC1	REAL300012099343	0	51	0.0	-29.50	394.79	11.55	-17.95
CCC1=NOC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099344	0	38	0.0	-29.22	342.73	8.51	-20.71
CN1N=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1Cl	REAL300012099345	0	36	0.0	-29.08	344.96	7.95	-21.13
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012099346	0	38	0.0	-30.31	348.99	7.29	-23.02
CC1=CN=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099347	0	38	0.0	-28.89	333.42	8.54	-20.35
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012099348	0	43	0.0	-28.79	373.65	11.80	-16.99
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012099349	0	42	0.0	-27.41	370.90	10.48	-16.93
CC(C)N1C=CN=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099351	0	42	0.0	-24.84	367.14	9.61	-15.23
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099352	0	43	0.0	-27.46	377.05	9.45	-18.01
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099353	0	46	0.0	-29.06	393.72	9.91	-19.15
CC1=NC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])N1C	REAL300012099354	0	39	0.0	-32.43	345.56	8.73	-23.70
CC1=C2C=C(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])NC2=CC=C1	REAL300012099355	0	43	0.0	-29.28	377.32	10.27	-19.01
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012099356	0	42	0.0	-27.71	376.27	8.90	-18.81
CC1=CC=C2C=C(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])NC2=C1	REAL300012099357	0	43	0.0	-30.26	379.60	10.41	-19.85
CC1=NC=CN=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099358	0	37	0.0	-31.23	331.99	6.58	-24.65
CCOC1=CN=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099359	0	42	0.0	-30.96	372.62	8.23	-22.73
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=NC=C1Cl	REAL300012099360	0	35	0.0	-24.77	332.21	8.46	-16.31
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300012099361	0	39	0.0	-33.58	352.80	8.49	-25.09
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099362	0	44	0.0	-31.28	364.82	10.10	-21.18
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=NC(F)=C1	REAL300012099363	0	35	0.0	-34.34	326.66	7.92	-26.42
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012099364	0	40	0.0	-30.71	358.05	9.81	-20.90
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012099365	0	39	0.0	-38.70	358.95	7.30	-31.40
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012099366	0	38	0.0	-31.40	353.90	8.76	-22.64
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099367	0	45	0.0	-31.02	398.18	10.24	-20.78
COC1=CN=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1C	REAL300012099368	0	42	0.0	-29.00	361.71	7.89	-21.11
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C)=C1	REAL300012099369	0	49	0.0	-29.77	416.66	12.89	-16.88
CCCN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])N=N1	REAL300012099370	0	41	0.0	-28.64	366.06	7.91	-20.73
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099371	0	44	0.0	-26.53	382.64	9.86	-16.67
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN(C2CC2)C=N1	REAL300012099372	0	40	0.0	-26.73	357.71	10.46	-16.27
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012099373	0	41	0.0	-38.50	373.74	10.23	-28.27
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1C	REAL300012099374	0	49	0.0	-31.45	413.25	12.80	-18.65
CC1=NSC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099375	0	35	0.0	-28.49	332.89	8.22	-20.27
CCN1N=CN=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099376	0	38	0.0	-26.41	344.31	8.94	-17.47
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300012099377	0	39	0.0	-31.30	354.03	7.02	-24.28
CCC1=CNC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099378	0	39	0.0	-33.98	349.41	7.83	-26.15
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012099379	0	45	0.0	-29.34	378.31	10.25	-19.09
CC1=NN(C)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1Cl	REAL300012099380	0	39	0.0	-24.85	363.14	8.40	-16.45
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012099381	0	44	0.0	-30.33	380.03	10.42	-19.91
CCC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(Cl)=NN1	REAL300012099382	0	39	0.0	-30.80	363.46	7.87	-22.93
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012099383	0	40	0.0	-30.94	372.70	8.77	-22.17
CCC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C)=NO1	REAL300012099384	0	41	0.0	-27.57	362.39	9.40	-18.17
CCN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])N=N1	REAL300012099385	0	38	0.0	-28.97	344.56	7.15	-21.82
CC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C2CCCCC2=N1	REAL300012099386	0	48	0.0	-28.28	398.33	11.01	-17.27
CCOC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])O1	REAL300012099387	0	40	0.0	-26.84	360.63	9.28	-17.56
CCN1C=NC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099388	0	39	0.0	-32.46	348.36	9.85	-22.61
CC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CN=C1F	REAL300012099389	0	38	0.0	-31.05	346.11	8.47	-22.58
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099390	0	38	0.0	-29.10	337.92	8.41	-20.69
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012099391	0	39	0.0	-30.11	363.67	10.64	-19.47
COC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C)=C1	REAL300012099392	0	43	0.0	-28.39	367.29	9.63	-18.76
CC1CC2=CC(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])=CC=C2O1	REAL300012099393	0	44	0.0	-30.48	383.37	10.43	-20.05
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012099394	0	39	0.0	-30.83	358.43	7.28	-23.55
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC2=C1OCC2	REAL300012099395	0	41	0.0	-31.27	362.09	9.64	-21.63
CSCC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099396	0	43	0.0	-29.62	392.80	11.68	-17.94
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012099397	0	46	0.0	-32.62	397.25	10.53	-22.09
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099398	0	44	0.0	-29.21	381.63	7.41	-21.80
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099399	0	43	0.0	-28.58	370.75	9.21	-19.37
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=NN1C1CCC1	REAL300012099400	0	43	0.0	-28.91	373.80	9.56	-19.35
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012099401	0	43	0.0	-31.28	373.53	9.53	-21.75
COC1=CC=C(C)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099402	0	43	0.0	-25.98	365.63	9.55	-16.43
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])=C21	REAL300012099403	0	42	0.0	-30.09	360.89	10.86	-19.23
CCC1=CC=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099404	0	42	0.0	-25.97	360.11	11.07	-14.90
CC1=CC(F)=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099405	0	39	0.0	-27.75	352.83	10.51	-17.24
CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C)=C1C	REAL300012099406	0	45	0.0	-25.73	374.04	11.40	-14.33
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099407	0	48	0.0	-22.84	375.31	12.22	-10.62
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN=C2CCCCCN12	REAL300012099408	0	46	0.0	-31.62	382.36	10.21	-21.41
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CON=C1C1CC1	REAL300012099409	0	39	0.0	-32.20	354.41	9.42	-22.78
CCN1CCC2=CC(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])=CC=C21	REAL300012099410	0	48	0.0	-28.66	404.32	10.40	-18.26
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=NN1C(C)C	REAL300012099411	0	45	0.0	-30.51	387.41	9.46	-21.05
CC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC=C1C1CC1	REAL300012099412	0	46	0.0	-28.00	393.66	12.38	-15.62
CCOC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC=N1	REAL300012099413	0	42	0.0	-32.73	375.63	7.43	-25.30
CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1C1CC1	REAL300012099414	0	46	0.0	-27.97	392.03	12.36	-15.61
COC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])O1	REAL300012099415	0	37	0.0	-30.77	339.07	8.29	-22.48
COCCOC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])O1	REAL300012099416	0	44	0.0	-32.76	395.87	8.51	-24.25
CC1=NN(C(C)C)C(C)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099417	0	48	0.0	-27.79	410.13	10.11	-17.68
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NN(CCF)C=C1	REAL300012099418	0	39	0.0	-32.57	357.63	8.47	-24.10
CCN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C)=N1	REAL300012099419	0	42	0.0	-31.74	370.28	9.06	-22.68
CN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C2CC2)=N1	REAL300012099420	0	43	0.0	-31.73	380.99	9.79	-21.94
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099421	0	43	0.0	-29.28	379.01	9.45	-19.83
CC(C)C1=NOC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099422	0	41	0.0	-32.01	364.55	9.07	-22.94
COC1=NC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1F	REAL300012099423	0	39	0.0	-27.78	359.35	6.54	-21.24
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN2C=CN=C2S1	REAL300012099424	0	36	0.0	-32.20	343.72	9.77	-22.43
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C(C(C)(C)C)O1	REAL300012099425	0	48	0.0	-28.48	409.37	11.34	-17.14
CC1=C(C)SC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099426	0	38	0.0	-29.93	350.50	8.22	-21.71
CC1OC2=CC=C(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])C=C2C1C	REAL300012099427	0	47	0.0	-30.01	399.73	10.93	-19.08
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CSN=C1	REAL300012099428	0	32	0.0	-29.85	309.81	7.36	-22.49
CC(C)CC1=CC=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099429	0	48	0.0	-25.78	399.12	12.32	-13.46
CC(C)CN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])N=N1	REAL300012099430	0	44	0.0	-36.66	383.99	8.54	-28.12
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300012099431	0	39	0.0	-25.73	362.47	8.98	-16.75
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012099432	0	36	0.0	-32.56	347.74	7.12	-25.44
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300012099433	0	41	0.0	-28.76	362.53	9.63	-19.13
CN1C=C(Cl)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099434	0	36	0.0	-28.23	345.78	8.02	-20.21
CSC1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099435	0	40	0.0	-31.29	366.54	10.80	-20.49
CC(C)C1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])N(C)N=C1	REAL300012099436	0	45	0.0	-26.99	386.20	9.24	-17.75
CC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC(C)=N1	REAL300012099437	0	41	0.0	-29.99	363.47	9.20	-20.79
CCCN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C)=N1	REAL300012099438	0	45	0.0	-30.84	389.81	9.77	-21.07
CCN1C=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099439	0	39	0.0	-31.57	349.72	8.30	-23.27
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012099440	0	38	0.0	-31.54	348.96	8.51	-23.03
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012099442	0	43	0.0	-28.48	391.88	12.04	-16.44
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012099443	0	44	0.0	-30.44	387.23	10.76	-19.68
CNC(=O)C1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099444	0	43	0.0	-40.23	382.80	8.06	-32.17
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012099445	0	43	0.0	-30.16	372.13	8.68	-21.48
CCCN1C=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099446	0	42	0.0	-31.36	371.22	9.06	-22.30
CC(C)N1C=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099447	0	42	0.0	-26.51	368.10	8.85	-17.66
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099448	0	47	0.0	-30.12	398.03	10.26	-19.86
CN1C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=NC2=C1CCCC2	REAL300012099449	0	46	0.0	-33.78	387.74	10.44	-23.34
COC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099450	0	39	0.0	-26.53	369.33	6.98	-19.55
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012099451	0	39	0.0	-33.81	360.84	10.63	-23.18
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300012099452	0	44	0.0	-29.80	372.47	9.79	-20.01
COC1=NN(C)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099453	0	40	0.0	-26.82	360.19	5.42	-21.40
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NC2=C(COCC2)S1	REAL300012099454	0	40	0.0	-31.01	364.44	7.11	-23.90
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012099455	0	43	0.0	-26.94	370.62	10.64	-16.30
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012099456	0	38	0.0	-36.87	360.96	10.56	-26.31
COC1=CC(C)=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=N1	REAL300012099458	0	42	0.0	-28.14	363.67	6.95	-21.19
COC1=CC(C)=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1O	REAL300012099459	0	44	0.0	-29.21	376.33	7.39	-21.82
COC1=NC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC=C1C	REAL300012099460	0	42	0.0	-25.77	372.30	7.13	-18.64
CCCN1C=NC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099461	0	42	0.0	-29.46	359.30	10.52	-18.94
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CNC1=O	REAL300012099462	0	36	0.0	-41.31	330.30	6.70	-34.61
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012099463	0	43	0.0	-33.98	382.41	9.67	-24.31
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012099464	0	49	0.0	-27.74	417.80	13.31	-14.43
CCC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=NN1CC	REAL300012099465	0	45	0.0	-26.77	384.03	9.68	-17.09
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012099466	0	36	0.0	-29.23	353.48	10.34	-18.89
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(C2CC2)=NN1	REAL300012099467	0	40	0.0	-29.96	356.96	8.20	-21.76
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012099468	0	40	0.0	-32.25	370.33	9.32	-22.93
COC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=CS1	REAL300012099469	0	37	0.0	-29.04	347.87	8.20	-20.84
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099470	0	42	0.0	-31.63	379.53	11.31	-20.32
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=N1	REAL300012099471	0	43	0.0	-30.21	384.67	7.38	-22.83
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012099472	0	36	0.0	-32.58	343.93	9.98	-22.60
CC(C)(C)C1=NNC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099473	0	45	0.0	-30.39	388.66	8.62	-21.77
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099474	0	43	0.0	-26.01	373.81	11.66	-14.35
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC=CC1=CC=CC=C1	REAL300012099475	0	40	0.0	-30.07	357.67	11.05	-19.02
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN=NN1C1CC1	REAL300012099476	0	39	0.0	-33.05	351.50	7.78	-25.27
COCC1=CC=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099477	0	43	0.0	-27.15	373.11	9.63	-17.52
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012099478	0	44	0.0	-28.81	378.19	9.77	-19.04
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CN(CCO)N=C1	REAL300012099479	0	40	0.0	-30.79	361.13	5.05	-25.74
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012099480	0	42	0.0	-34.60	380.95	7.95	-26.65
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC=CC1=CC=NC=C1	REAL300012099481	0	39	0.0	-32.80	351.37	9.26	-23.54
CN1C=CC(C2=NNC=C2C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099482	0	43	0.0	-27.27	378.06	7.57	-19.70
C=CC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099483	0	40	0.0	-27.87	356.48	10.84	-17.03
CC(F)(F)C1=CC=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099484	0	42	0.0	-31.54	367.13	11.29	-20.25
CCN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C2CC2)=N1	REAL300012099485	0	46	0.0	-31.51	402.53	10.65	-20.86
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099486	0	44	0.0	-29.07	365.94	9.37	-19.70
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012099487	0	41	0.0	-32.40	367.34	10.29	-22.11
CC1=CC2=CC=CC(C[NH2+]C(CC3=CC(C(F)(F)F)=CS3)C(=O)[O-])=C2O1	REAL300012099488	0	42	0.0	-25.94	375.91	10.94	-15.00
COC1=CSC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1OC	REAL300012099489	0	41	0.0	-29.61	379.11	7.85	-21.76
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CON=C1C1CCC1	REAL300012099490	0	42	0.0	-31.74	371.04	9.89	-21.85
CS(=O)(=O)C1=COC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099491	0	39	0.0	-39.20	370.16	5.40	-33.80
CCN1C=C(Cl)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099492	0	39	0.0	-27.29	365.99	8.83	-18.46
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012099493	0	36	0.0	-34.82	351.95	10.34	-24.48
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012099494	0	39	0.0	-31.40	358.50	10.65	-20.75
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012099495	0	42	0.0	-31.97	375.54	12.03	-19.94
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CSC(Cl)=C1	REAL300012099496	0	33	0.0	-30.62	333.36	9.38	-21.24
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=NN1C1CCC1	REAL300012099497	0	46	0.0	-28.08	393.80	10.29	-17.79
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=NN1CC(F)F	REAL300012099498	0	39	0.0	-29.47	352.94	8.46	-21.01
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012099499	0	35	0.0	-26.99	338.34	8.31	-18.68
CN(C)C1=CN=CC(F)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099500	0	43	0.0	-27.54	378.73	7.82	-19.72
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012099501	0	43	0.0	-26.72	374.56	9.49	-17.23
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012099502	0	39	0.0	-35.42	361.56	8.62	-26.80
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012099503	0	40	0.0	-29.81	372.25	9.25	-20.56
CC1=CN(C)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099504	0	39	0.0	-33.99	346.60	8.73	-25.26
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012099505	0	46	0.0	-30.38	391.10	10.08	-20.30
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012099506	0	35	0.0	-24.47	349.13	8.79	-15.68
CC1=NSC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099507	0	35	0.0	-29.53	328.64	7.90	-21.63
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC=C1C(F)F	REAL300012099508	0	39	0.0	-31.49	349.07	10.74	-20.75
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012099509	0	39	0.0	-32.80	351.61	8.45	-24.35
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012099510	0	36	0.0	-35.96	353.71	10.41	-25.55
CC1=C(F)C=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099511	0	39	0.0	-29.64	343.11	10.36	-19.28
COC1=C(C#N)C=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099512	0	41	0.0	-35.83	376.04	9.64	-26.19
CC1=NC(Cl)=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099513	0	38	0.0	-30.53	348.17	8.88	-21.65
COC1=CC(Cl)=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099514	0	40	0.0	-29.12	371.25	9.59	-19.53
COC1=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=CC(F)=C1F	REAL300012099515	0	40	0.0	-32.51	367.04	9.21	-23.30
COC1=CC(C)=NC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099516	0	42	0.0	-27.37	371.88	7.98	-19.39
CC(C)N1C=NC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099517	0	42	0.0	-26.44	369.84	10.37	-16.07
CN1N=CC=C1C1=NNC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099518	0	43	0.0	-36.36	387.21	7.43	-28.93
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C2CC2)=NO1	REAL300012099519	0	42	0.0	-30.09	374.62	10.15	-19.94
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])O1	REAL300012099520	0	43	0.0	-26.79	380.91	9.97	-16.82
N#CC1=CC(F)=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099521	0	37	0.0	-34.42	352.28	10.23	-24.19
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099522	0	44	0.0	-33.43	384.42	10.40	-23.03
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099523	0	46	0.0	-27.67	392.30	10.05	-17.62
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=NN1CC(F)F	REAL300012099524	0	42	0.0	-30.21	380.23	9.21	-21.00
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099525	0	43	0.0	-33.86	388.33	9.02	-24.84
COC1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C)=N1	REAL300012099526	0	42	0.0	-29.24	363.47	6.94	-22.30
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=NS1	REAL300012099527	0	35	0.0	-29.71	328.10	8.16	-21.55
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=NO1	REAL300012099528	0	35	0.0	-28.28	320.23	8.04	-20.24
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(CF)C=C1	REAL300012099529	0	39	0.0	-29.52	353.34	10.57	-18.95
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012099530	0	39	0.0	-29.36	362.28	11.12	-18.24
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC=C1CO	REAL300012099531	0	40	0.0	-28.17	349.54	7.18	-20.99
CC1=NSC(C)=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099532	0	38	0.0	-29.04	349.24	8.63	-20.41
CC(C)(C)C1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=NO1	REAL300012099533	0	44	0.0	-25.69	367.87	9.71	-15.98
C=CCN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=N1	REAL300012099534	0	40	0.0	-30.21	363.48	9.01	-21.20
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012099535	0	39	0.0	-31.49	351.61	8.45	-23.04
CCC(C)C1=CC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=C1	REAL300012099536	0	48	0.0	-27.62	405.30	12.35	-15.27
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=N1	REAL300012099537	0	41	0.0	-27.53	375.45	9.76	-17.77
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012099538	0	46	0.0	-26.50	380.70	12.17	-14.33
O=C([O-])C(CC1=CC(C(F)(F)F)=CS1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012099539	0	42	0.0	-36.36	379.00	9.68	-26.68
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300012099540	0	45	0.0	-27.57	382.33	12.49	-15.08
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099541	0	44	0.0	-30.42	387.23	9.24	-21.18
CC1=NC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C(C)S1	REAL300012099542	0	38	0.0	-31.17	351.81	8.22	-22.95
CCCN1N=CC(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1C	REAL300012099543	0	45	0.0	-30.57	389.15	9.54	-21.03
CC1=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300012099544	0	44	0.0	-29.93	381.10	10.83	-19.10
COC(=O)C1=CN(C)C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])=C1	REAL300012099545	0	43	0.0	-30.47	385.73	9.79	-20.68
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CC(C(F)(F)F)=CS1)C(=O)[O-]	REAL300012099546	0	45	0.0	-27.42	382.77	9.50	-17.92
CN1C=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])C(C2CCC2)=N1	REAL300012099547	0	46	0.0	-31.21	396.76	10.20	-21.01
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC(C(F)(F)F)=CS2)C(=O)[O-])O1	REAL300012099548	0	44	0.0	-28.34	385.54	7.30	-21.04
O=C([O-])C1=CC(C(=O)[O-])=C2CCC([NH2+]CC3=CC=NN3C3=CC=[NH+]C=C3)C2=C1	REAL300012100141	1	46	0.0	-161.31	381.91	9.90	-151.41
C[NH+](C)CCC1=CC=C(C[NH2+]C2CCC3=C(C(=O)[O-])C=C(C(=O)[O-])C=C32)C=C1	REAL300012100256	0	54	0.0	-148.85	428.05	13.03	-135.82
O=C([O-])[C@H](CCC[NH2+]CC1=CC=CO1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300012100421	0	46	0.0	-62.32	407.28	5.70	-56.62
O=C([O-])[C@H](CCC[NH2+]CC1=NC=CN1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300012100422	0	46	0.0	-66.65	408.22	4.34	-62.31
CC(C)(C)C[NH2+]CCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300012100423	0	51	0.0	-59.75	424.65	6.69	-53.06
O=C([O-])[C@H](CCC[NH2+]CC1=NNC=C1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300012100424	0	46	0.0	-63.04	408.70	4.02	-59.02
O=C([O-])[C@H](CCC[NH2+]CC1=COC=N1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300012100425	0	45	0.0	-64.69	404.21	2.22	-62.47
CC1(C[NH2+]CCC[C@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])CCC1	REAL300012100426	0	52	0.0	-59.40	430.40	7.24	-52.16
CC1(C[NH2+]CCC[C@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])CC1	REAL300012100427	0	49	0.0	-59.10	414.97	6.92	-52.18
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300012100428	0	47	0.0	-52.06	364.06	8.03	-44.03
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100429	0	52	0.0	-35.11	424.17	9.97	-25.14
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(C)(C)C)C=C1	REAL300012100430	0	54	0.0	-34.42	399.61	10.19	-24.23
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300012100431	0	49	0.0	-41.95	372.34	7.69	-34.26
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)O1	REAL300012100432	0	39	0.0	-39.17	325.86	6.74	-32.43
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100433	0	52	0.0	-39.42	401.86	9.68	-29.74
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(CCC#N)N=C1C1=CC=CC=C1	REAL300012100434	0	56	0.0	-44.22	437.64	10.37	-33.85
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OC(F)F	REAL300012100435	0	50	0.0	-40.48	391.92	7.35	-33.13
CCOC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OC	REAL300012100436	0	53	0.0	-40.17	404.02	7.99	-32.18
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300012100437	0	56	0.0	-34.36	426.75	11.37	-22.99
CCCCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100438	0	58	0.0	-37.07	439.26	10.46	-26.61
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300012100439	0	51	0.0	-57.74	411.38	10.23	-47.51
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300012100440	0	51	0.0	-44.55	411.87	10.42	-34.13
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1Br	REAL300012100441	0	46	0.0	-40.63	373.34	7.83	-32.80
CC(C)OC1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100442	0	52	0.0	-30.86	389.93	8.75	-22.11
CCCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC	REAL300012100443	0	59	0.0	-39.08	447.01	9.57	-29.51
CCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC	REAL300012100444	0	56	0.0	-40.03	425.52	8.79	-31.24
C=CCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC	REAL300012100445	0	54	0.0	-40.32	416.92	8.57	-31.75
CCCCCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC	REAL300012100446	0	65	0.0	-39.03	490.01	11.13	-27.90
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300012100447	0	49	0.0	-39.44	400.41	10.27	-29.17
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300012100448	0	49	0.0	-39.48	400.54	10.32	-29.16
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300012100449	0	49	0.0	-49.04	407.51	10.98	-38.06
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300012100450	0	52	0.0	-41.67	407.66	9.54	-32.13
CCC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C2=CC=CC=C2O1	REAL300012100451	0	51	0.0	-34.91	386.83	9.77	-25.14
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300012100452	0	51	0.0	-56.93	407.30	10.85	-46.08
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300012100453	0	48	0.0	-39.53	394.67	8.73	-30.80
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300012100454	0	46	0.0	-32.21	368.16	7.73	-24.48
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300012100455	0	46	0.0	-37.00	379.81	9.34	-27.66
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300012100456	0	49	0.0	-35.00	374.82	5.76	-29.24
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(Cl)=C1	REAL300012100457	0	46	0.0	-32.71	364.77	7.58	-25.13
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300012100458	0	46	0.0	-37.48	369.41	7.67	-29.81
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300012100459	0	51	0.0	-55.31	418.97	11.13	-44.18
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300012100460	0	51	0.0	-46.50	416.31	11.23	-35.27
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300012100461	0	49	0.0	-41.85	379.15	7.76	-34.09
CC1=CC=C(C2=NNC=C2C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100462	0	52	0.0	-41.76	393.78	8.37	-33.39
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300012100463	0	46	0.0	-35.50	359.80	6.96	-28.54
COC1=CC=C(C2=NNC=C2C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100464	0	53	0.0	-42.41	402.18	6.98	-35.43
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC2=CC=CC=C12	REAL300012100465	0	45	0.0	-47.04	359.84	9.05	-37.99
CCOC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=NN1CC(C)C	REAL300012100466	0	61	0.0	-32.98	449.34	7.98	-25.00
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300012100467	0	48	0.0	-39.33	369.47	8.36	-30.97
CC1=CC=C(C2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])O2)C=C1	REAL300012100468	0	52	0.0	-39.29	405.08	10.43	-28.86
CC1=CC=C(C2=NNC=C2C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])O1	REAL300012100469	0	49	0.0	-45.88	383.92	6.79	-39.09
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300012100470	0	48	0.0	-49.11	370.66	5.88	-43.23
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300012100471	0	55	0.0	-44.94	416.92	6.82	-38.12
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300012100472	0	57	0.0	-38.83	431.74	8.48	-30.35
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)S1	REAL300012100473	0	39	0.0	-37.54	330.71	7.59	-29.95
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300012100474	0	49	0.0	-49.61	397.19	10.52	-39.09
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300012100475	0	47	0.0	-31.92	363.37	8.38	-23.54
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300012100476	0	55	0.0	-45.12	425.68	9.32	-35.80
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100477	0	51	0.0	-41.78	394.23	6.87	-34.91
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300012100478	0	49	0.0	-40.38	381.77	9.08	-31.30
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300012100479	0	48	0.0	-42.18	376.71	10.40	-31.78
CC(C)N1N=CC2=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C(Cl)N=C21	REAL300012100480	0	53	0.0	-44.86	422.28	8.97	-35.89
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300012100481	0	49	0.0	-37.17	408.21	11.17	-26.00
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300012100482	0	49	0.0	-38.01	400.64	10.82	-27.19
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1F	REAL300012100483	0	42	0.0	-34.09	335.42	7.97	-26.12
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300012100484	0	45	0.0	-35.31	374.36	9.37	-25.94
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C=C1Cl	REAL300012100485	0	42	0.0	-33.27	341.72	8.36	-24.91
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300012100486	0	42	0.0	-41.45	346.01	8.43	-33.02
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300012100487	0	45	0.0	-44.16	367.74	8.92	-35.24
CCOC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100488	0	49	0.0	-34.83	374.78	8.10	-26.73
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300012100489	0	42	0.0	-32.45	352.09	8.80	-23.65
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300012100490	0	45	0.0	-32.30	353.71	8.78	-23.52
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300012100491	0	42	0.0	-43.76	342.42	8.06	-35.70
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300012100492	0	45	0.0	-40.34	368.88	8.95	-31.39
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300012100493	0	45	0.0	-37.49	366.94	8.94	-28.55
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(Cl)=C1OC	REAL300012100494	0	50	0.0	-46.37	397.56	7.45	-38.92
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2S1	REAL300012100495	0	45	0.0	-37.94	360.82	9.40	-28.54
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300012100496	0	42	0.0	-41.59	346.01	8.44	-33.15
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300012100497	0	46	0.0	-47.39	377.62	7.81	-39.58
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300012100498	0	49	0.0	-39.04	408.02	11.15	-27.89
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC(C#N)=C2)=C1	REAL300012100499	0	57	0.0	-38.99	455.55	11.54	-27.45
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300012100500	0	52	0.0	-45.36	398.37	6.35	-39.01
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CN=C1Cl	REAL300012100501	0	41	0.0	-41.03	330.35	6.49	-34.54
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OCC(F)(F)F	REAL300012100502	0	53	0.0	-43.36	423.59	8.45	-34.91
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300012100503	0	55	0.0	-39.30	429.56	9.39	-29.91
CC(C)C1=NN(C)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100504	0	51	0.0	-37.04	388.62	7.52	-29.52
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300012100505	0	52	0.0	-41.58	422.94	10.03	-31.55
CC(C)C1=NN(C)C(Cl)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100506	0	51	0.0	-35.43	403.01	7.81	-27.62
COCCOC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100507	0	53	0.0	-36.15	408.40	7.37	-28.78
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1Cl	REAL300012100508	0	46	0.0	-40.72	368.95	7.72	-33.00
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300012100509	0	47	0.0	-44.51	383.67	6.79	-37.72
CC(C)N1C2=CC=CC=C2N=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100510	0	54	0.0	-42.50	404.30	9.43	-33.07
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)N=C1	REAL300012100511	0	58	0.0	-46.94	441.57	7.78	-39.16
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300012100512	0	49	0.0	-36.77	394.35	8.56	-28.21
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OCCO2	REAL300012100513	0	48	0.0	-34.11	366.43	7.08	-27.03
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300012100514	0	51	0.0	-47.15	383.01	7.68	-39.47
CCCN1C2=CC=CC=C2N=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100515	0	54	0.0	-45.05	408.77	9.75	-35.30
CCCOC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100516	0	52	0.0	-34.66	396.28	8.90	-25.76
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300012100517	0	49	0.0	-36.82	389.46	10.45	-26.37
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300012100518	0	56	0.0	-34.24	417.74	10.10	-24.14
CC(C)OC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100519	0	52	0.0	-34.19	393.51	8.80	-25.39
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300012100520	0	55	0.0	-41.01	412.07	10.06	-30.95
CC1=CC=C(C2=NC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CS2)C=C1	REAL300012100521	0	51	0.0	-48.01	409.19	9.14	-38.87
CC(C)C1=NC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CS1	REAL300012100522	0	47	0.0	-37.33	371.18	6.91	-30.42
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300012100523	0	56	0.0	-37.07	438.41	11.32	-25.75
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300012100524	1	52	0.0	-42.22	419.84	8.18	-34.04
CC1=CC=C(OCC2=NC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CS2)C=C1	REAL300012100525	1	55	0.0	-42.22	441.25	8.87	-33.35
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(C(C)(C)C)=N1	REAL300012100526	0	50	0.0	-37.01	390.12	7.42	-29.59
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300012100527	0	45	0.0	-47.13	378.95	7.40	-39.73
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300012100528	0	49	0.0	-40.04	397.70	10.71	-29.33
CN(C)C(=O)COC1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100529	0	56	0.0	-48.26	418.62	9.29	-38.97
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300012100530	0	56	0.0	-30.60	413.31	10.01	-20.59
CC1=CC=C(C2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S2)C=C1	REAL300012100531	0	52	0.0	-48.15	412.19	11.13	-37.02
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300012100532	0	48	0.0	-54.51	389.10	7.97	-46.54
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100533	0	46	0.0	-35.19	382.68	8.19	-27.00
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC=C1Cl	REAL300012100534	0	42	0.0	-32.46	356.68	8.90	-23.56
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1Br	REAL300012100535	0	42	0.0	-31.99	353.61	8.84	-23.15
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300012100536	0	53	0.0	-37.49	425.47	10.90	-26.59
CCOC1=C(OC)C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC	REAL300012100537	0	57	0.0	-42.55	437.18	7.93	-34.62
COCCCOC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100538	0	56	0.0	-36.25	429.95	7.97	-28.28
CC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CN=C1Cl	REAL300012100539	0	44	0.0	-52.15	353.45	6.90	-45.25
COC1=CC=C(OC(F)F)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100540	0	50	0.0	-47.06	390.37	6.59	-40.47
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300012100541	0	46	0.0	-34.12	375.40	7.94	-26.18
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300012100542	0	62	0.0	-36.17	477.67	12.70	-23.47
CC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300012100543	0	55	0.0	-40.78	427.16	9.61	-31.17
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300012100544	0	60	0.0	-47.24	453.85	9.71	-37.53
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S2)C=C1	REAL300012100545	0	51	0.0	-37.89	409.86	9.56	-28.33
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300012100546	0	47	0.0	-33.05	380.05	8.90	-24.15
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300012100547	0	47	0.0	-33.82	368.92	8.44	-25.38
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300012100548	0	47	0.0	-33.73	369.75	8.46	-25.27
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300012100549	0	47	0.0	-33.20	377.77	8.83	-24.37
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300012100550	0	49	0.0	-41.32	398.17	9.92	-31.40
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])O1	REAL300012100551	0	52	0.0	-39.50	410.61	10.51	-28.99
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])O2)C=C1	REAL300012100552	0	55	0.0	-39.20	426.55	11.21	-27.99
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(OC(F)F)=C1	REAL300012100553	0	50	0.0	-37.59	390.87	6.81	-30.78
COC1=CC=C2OC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC2=C1	REAL300012100554	0	49	0.0	-51.04	380.30	7.48	-43.56
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300012100555	0	46	0.0	-50.63	370.83	9.49	-41.14
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C2=CC=CC=C2O1	REAL300012100556	0	48	0.0	-48.50	371.22	8.80	-39.70
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=COC2=CC=CC=C12	REAL300012100557	0	45	0.0	-37.09	351.33	8.25	-28.84
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300012100558	0	50	0.0	-40.69	390.43	9.68	-31.01
CC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1Br	REAL300012100559	0	45	0.0	-34.95	362.91	9.06	-25.89
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300012100560	0	46	0.0	-36.57	366.37	9.28	-27.29
CC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1Br	REAL300012100561	0	45	0.0	-37.04	362.91	9.06	-27.98
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300012100562	0	49	0.0	-41.07	382.33	8.99	-32.08
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Cl)SC=C1	REAL300012100563	0	39	0.0	-35.33	327.53	7.42	-27.91
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300012100564	0	47	0.0	-44.28	375.44	8.02	-36.26
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300012100565	0	46	0.0	-42.01	361.80	7.89	-34.12
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300012100566	0	46	0.0	-40.22	361.71	7.88	-32.34
CCOC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=N1	REAL300012100567	0	48	0.0	-39.81	372.44	5.47	-34.34
CC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC2=CC=CN=C12	REAL300012100568	0	50	0.0	-39.52	384.65	9.07	-30.45
CC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1Cl	REAL300012100569	0	45	0.0	-37.01	358.88	8.97	-28.04
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C2C=CSC2=C1	REAL300012100570	0	44	0.0	-39.98	355.29	7.35	-32.63
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1	REAL300012100571	0	61	0.0	-38.90	459.77	12.09	-26.81
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100572	0	62	0.0	-43.62	457.27	10.40	-33.22
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100573	0	62	0.0	-44.11	463.87	10.79	-33.32
CCCC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100574	0	51	0.0	-45.58	387.44	9.88	-35.70
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100575	0	60	0.0	-49.21	455.80	12.37	-36.84
CCN(CC)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1F	REAL300012100576	0	56	0.0	-39.95	423.82	9.05	-30.90
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C(SC)C=C1OC	REAL300012100577	0	54	0.0	-45.41	417.25	7.81	-37.60
COC1=CC=C2N=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])SC2=C1	REAL300012100578	0	48	0.0	-37.12	385.09	6.67	-30.45
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100579	0	48	0.0	-52.26	386.93	8.54	-43.72
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1C#N	REAL300012100580	0	47	0.0	-47.43	373.13	7.58	-39.85
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300012100581	0	46	0.0	-38.98	373.24	9.14	-29.84
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100582	0	48	0.0	-35.02	372.83	9.45	-25.57
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300012100583	0	46	0.0	-42.19	368.90	7.52	-34.67
CCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])N=C1	REAL300012100584	0	48	0.0	-39.04	369.82	6.24	-32.80
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100585	0	48	0.0	-37.49	377.25	9.50	-27.99
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC(Cl)=C1OC	REAL300012100586	0	50	0.0	-42.53	402.12	7.71	-34.82
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OCC(C)C	REAL300012100587	0	59	0.0	-39.58	445.62	9.47	-30.11
CCCOC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OC	REAL300012100588	0	56	0.0	-39.97	425.52	8.79	-31.18
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)S1	REAL300012100589	0	39	0.0	-37.61	335.34	7.70	-29.91
CCOC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC(Cl)=C1OC	REAL300012100590	0	53	0.0	-42.36	423.97	8.63	-33.73
C=CCOC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100591	0	50	0.0	-34.95	387.68	8.68	-26.27
COC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1OC(C)C	REAL300012100592	0	56	0.0	-38.46	404.82	8.79	-29.67
CCOC1=C(Cl)C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC	REAL300012100593	0	53	0.0	-42.42	423.97	8.66	-33.76
CCCOC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=CC=C1OCC	REAL300012100594	0	59	0.0	-39.31	435.73	9.82	-29.49
CCCCOC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OC	REAL300012100595	0	59	0.0	-39.80	447.01	9.57	-30.23
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC(F)F	REAL300012100596	0	50	0.0	-41.98	391.92	7.36	-34.62
CCOC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OC(F)F	REAL300012100597	0	53	0.0	-40.25	413.77	8.27	-31.98
CC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC(C)=C1OC(F)F	REAL300012100598	0	52	0.0	-38.33	400.72	8.86	-29.47
CCOC1=CC2=C(C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])OC(C)C2	REAL300012100599	0	57	0.0	-33.63	425.13	8.58	-25.05
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC2=C1OCCO2	REAL300012100600	0	52	0.0	-42.44	397.11	6.90	-35.54
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300012100601	0	51	0.0	-46.55	417.90	9.30	-37.25
CCCCN1N=C(C)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1Cl	REAL300012100602	0	54	0.0	-33.65	426.38	8.93	-24.72
CCOC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1OC(F)F	REAL300012100603	0	53	0.0	-34.46	410.69	8.33	-26.13
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300012100604	0	60	0.0	-47.84	457.27	9.83	-38.01
CC1=CC(C)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1C	REAL300012100605	0	51	0.0	-33.79	376.07	9.57	-24.22
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300012100606	0	49	0.0	-37.57	391.29	10.64	-26.93
CCCOC1=C(Cl)C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC	REAL300012100607	0	56	0.0	-42.27	445.47	9.46	-32.81
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300012100608	0	49	0.0	-43.18	398.37	9.94	-33.24
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC(C)(C)C1=CC=CC=C1	REAL300012100609	0	51	0.0	-33.58	371.52	9.59	-23.99
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2CCCCC2)=N1	REAL300012100610	0	58	0.0	-37.05	426.28	9.27	-27.78
CC(CCC1=CC=CC=C1)C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100611	0	54	0.0	-49.19	402.30	10.54	-38.65
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC2=C(CC(C)(C)CC2)S1	REAL300012100612	0	54	0.0	-32.64	407.67	8.52	-24.12
CCC1=CC=CC(Cl)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100613	0	48	0.0	-28.96	365.73	9.52	-19.44
CC1=C(C)C=C2OC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC2=C1	REAL300012100614	0	51	0.0	-40.10	390.31	9.62	-30.48
CCCC1CCC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])CC1	REAL300012100615	0	57	0.0	-33.73	404.81	10.22	-23.51
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300012100616	0	49	0.0	-41.31	389.46	8.21	-33.10
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300012100617	0	49	0.0	-42.26	379.38	10.26	-32.00
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300012100618	0	49	0.0	-40.86	392.08	9.88	-30.98
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300012100619	0	48	0.0	-39.87	383.90	7.56	-32.31
CCCCC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C2=CC=CC=C2O1	REAL300012100620	0	57	0.0	-34.81	429.49	11.32	-23.49
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300012100621	0	55	0.0	-44.32	430.31	12.54	-31.78
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100622	0	55	0.0	-40.93	425.17	10.02	-30.91
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300012100623	0	51	0.0	-40.68	402.30	8.36	-32.32
COC1=CC=C(C)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100624	0	49	0.0	-31.46	373.03	7.90	-23.56
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1F	REAL300012100625	0	46	0.0	-42.63	359.14	7.25	-35.38
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300012100626	0	51	0.0	-37.41	381.62	9.12	-28.29
CC(C)C1CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])CCO1	REAL300012100627	0	55	0.0	-33.57	385.99	7.63	-25.94
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300012100628	0	49	0.0	-46.24	400.57	8.64	-37.60
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300012100629	1	48	0.0	-46.92	399.63	8.47	-38.45
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300012100630	1	48	0.0	-45.70	398.91	8.27	-37.43
CCSC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100631	0	49	0.0	-34.45	385.10	9.73	-24.72
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300012100632	1	43	0.0	-39.16	354.59	5.61	-33.55
COC1(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])CCCCC1	REAL300012100633	0	52	0.0	-43.33	365.81	7.04	-36.29
CCN1N=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C2=CC=CC=C21	REAL300012100634	0	51	0.0	-38.89	395.17	8.66	-30.23
COCCC1(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])CCCCC1	REAL300012100635	0	58	0.0	-36.08	401.89	8.09	-27.99
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300012100636	0	39	0.0	-37.61	351.17	8.17	-29.44
CCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100637	0	52	0.0	-37.08	396.27	8.90	-28.18
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100638	0	55	0.0	-34.52	442.23	10.36	-24.16
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2O1	REAL300012100639	0	45	0.0	-40.01	351.32	8.39	-31.62
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300012100640	0	49	0.0	-39.38	383.67	9.77	-29.61
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OC(C)C	REAL300012100641	0	56	0.0	-39.67	421.77	8.62	-31.05
CCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OCC	REAL300012100642	0	59	0.0	-39.81	447.37	9.71	-30.10
CC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300012100643	0	47	0.0	-46.84	367.21	9.12	-37.72
CC(C)OC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100644	0	52	0.0	-35.74	392.39	8.76	-26.98
CCCCCCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100645	0	64	0.0	-36.90	482.26	12.02	-24.88
CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300012100646	0	63	0.0	-35.95	456.24	12.23	-23.72
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C2NC=CC2=CC=C1	REAL300012100647	0	46	0.0	-36.43	354.80	7.87	-28.56
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Br)C=CS1	REAL300012100648	0	39	0.0	-30.82	331.89	7.48	-23.34
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300012100649	0	55	0.0	-33.63	394.41	7.42	-26.21
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1Br	REAL300012100650	0	42	0.0	-32.61	343.28	8.39	-24.22
CC(C)CC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100651	0	54	0.0	-34.19	404.61	10.55	-23.64
CC1=CC=C(C2=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C2)C=C1	REAL300012100652	0	55	0.0	-37.29	419.03	11.95	-25.34
COC1=CC=C(Br)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100653	0	46	0.0	-33.93	367.97	7.74	-26.19
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300012100654	0	48	0.0	-51.95	378.94	8.61	-43.34
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300012100655	0	42	0.0	-37.60	356.88	8.88	-28.72
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300012100656	0	42	0.0	-38.18	346.55	8.45	-29.73
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CO1	REAL300012100657	0	39	0.0	-37.39	325.87	6.65	-30.74
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100658	0	55	0.0	-37.35	419.46	11.95	-25.40
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300012100659	0	46	0.0	-38.42	362.68	7.45	-30.97
CCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OCC	REAL300012100660	0	56	0.0	-39.98	425.87	8.91	-31.07
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=C1F	REAL300012100661	0	42	0.0	-33.63	345.73	8.42	-25.21
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300012100662	0	45	0.0	-43.18	375.31	9.28	-33.90
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C=C1Br	REAL300012100663	0	42	0.0	-32.51	342.68	8.41	-24.10
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300012100664	0	46	0.0	-36.69	369.42	7.67	-29.02
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1F	REAL300012100665	0	42	0.0	-33.47	345.74	8.41	-25.06
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100666	0	56	0.0	-37.94	431.64	10.94	-27.00
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(F)=C1	REAL300012100667	0	42	0.0	-38.96	336.24	8.01	-30.95
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300012100668	0	52	0.0	-52.00	422.23	10.57	-41.43
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Cl)=C1F	REAL300012100669	0	42	0.0	-50.02	343.62	8.23	-41.79
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C2=CC=CC=C12	REAL300012100670	0	52	0.0	-47.57	392.25	9.16	-38.41
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300012100671	0	49	0.0	-46.58	377.45	7.77	-38.81
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300012100671	1	49	0.0	-45.60	379.60	7.75	-37.85
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1F	REAL300012100672	0	42	0.0	-51.25	333.73	7.79	-43.46
CN1C2=CC=CC=C2N=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100673	0	48	0.0	-52.19	370.20	8.03	-44.16
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(Br)=C1O	REAL300012100674	0	47	0.0	-45.82	378.52	5.38	-40.44
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2OCCC2=C1	REAL300012100675	0	47	0.0	-37.63	359.31	7.71	-29.92
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(Br)=C1	REAL300012100676	0	39	0.0	-37.68	335.07	7.55	-30.13
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300012100677	0	52	0.0	-36.53	397.64	11.28	-25.25
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300012100678	0	55	0.0	-35.93	421.58	9.59	-26.34
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300012100679	0	53	0.0	-39.91	397.34	7.78	-32.13
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C2C=CNC2=CC=C1	REAL300012100680	0	46	0.0	-34.67	353.86	7.85	-26.82
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300012100681	0	42	0.0	-41.54	350.42	8.54	-33.00
CC1=NC(C)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012100682	0	44	0.0	-36.30	348.85	6.33	-29.97
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300012100683	0	51	0.0	-40.35	395.16	9.74	-30.61
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300012100684	0	51	0.0	-37.78	392.64	9.51	-28.27
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300012100685	0	51	0.0	-39.25	392.83	9.53	-29.72
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100686	0	57	0.0	-48.59	416.35	8.19	-40.40
CN1CCN(C2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C2)CC1	REAL300012100687	1	59	0.0	-35.96	432.63	6.58	-29.38
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300012100688	0	51	0.0	-40.54	404.68	6.39	-34.15
CNC(=O)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100689	0	49	0.0	-46.19	379.89	6.15	-40.04
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300012100690	0	49	0.0	-39.65	388.66	9.15	-30.50
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100691	0	55	0.0	-40.44	435.48	10.47	-29.97
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300012100692	0	49	0.0	-39.30	398.98	9.60	-29.70
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100693	0	55	0.0	-38.52	433.23	10.23	-28.29
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300012100694	0	49	0.0	-38.42	394.34	8.56	-29.86
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300012100695	0	48	0.0	-48.40	369.05	9.92	-38.48
COC1=C2OC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC2=CC=C1	REAL300012100696	0	49	0.0	-43.40	380.81	7.68	-35.72
CC(C)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300012100697	0	53	0.0	-40.64	407.70	10.33	-30.31
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300012100698	0	45	0.0	-41.32	370.80	7.14	-34.18
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100699	0	58	0.0	-40.23	441.24	10.32	-29.91
CCOC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OCC(C)C	REAL300012100700	0	62	0.0	-39.60	467.47	10.39	-29.21
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC=C1F	REAL300012100701	0	42	0.0	-33.44	350.30	8.52	-24.92
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1F	REAL300012100702	0	42	0.0	-33.65	350.28	8.53	-25.12
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC(OC)=C1	REAL300012100703	0	50	0.0	-37.35	382.41	6.48	-30.87
COC1=CC2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C2C=C1	REAL300012100704	0	52	0.0	-39.98	398.87	9.42	-30.56
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CS1	REAL300012100706	0	39	0.0	-35.22	335.13	7.59	-27.63
CCCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OCC	REAL300012100707	0	62	0.0	-39.01	468.87	10.49	-28.52
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100708	0	55	0.0	-38.62	419.73	9.97	-28.65
COC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1OC(F)F	REAL300012100709	0	50	0.0	-45.78	389.87	7.24	-38.54
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300012100710	0	46	0.0	-39.55	383.95	8.45	-31.10
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300012100711	0	62	0.0	-36.28	445.08	11.03	-25.25
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300012100712	0	48	0.0	-46.28	373.78	6.91	-39.37
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300012100714	0	42	0.0	-41.46	350.42	8.53	-32.93
CC1=CC=C(COC2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C2)C=C1	REAL300012100715	0	59	0.0	-37.64	456.09	11.83	-25.81
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300012100716	0	57	0.0	-35.01	416.36	9.16	-25.85
CCCCCCOC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100717	0	61	0.0	-34.59	460.77	11.24	-23.35
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1SC	REAL300012100718	0	50	0.0	-39.97	392.33	8.22	-31.75
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCCCC#N)=C1	REAL300012100719	0	53	0.0	-41.52	417.13	9.42	-32.10
CCCCCOC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OC	REAL300012100720	0	62	0.0	-39.81	468.51	10.35	-29.46
CCC(C)OC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OC	REAL300012100721	0	59	0.0	-38.99	442.53	9.41	-29.58
CCCCCCCOC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100722	0	64	0.0	-34.52	482.27	12.02	-22.50
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OCCCC#N	REAL300012100723	0	57	0.0	-45.77	446.37	9.31	-36.46
C=C(C)COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OC	REAL300012100724	0	57	0.0	-40.18	436.30	9.35	-30.83
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OCCC(C)C	REAL300012100725	0	62	0.0	-39.70	464.58	10.09	-29.61
C=CCC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC(OC)=C1O	REAL300012100726	0	54	0.0	-38.83	418.29	7.02	-31.81
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300012100727	0	49	0.0	-42.20	382.84	7.78	-34.42
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100728	0	51	0.0	-51.63	401.20	8.62	-43.01
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100729	0	52	0.0	-35.87	410.29	6.05	-29.82
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300012100730	1	48	0.0	-46.72	376.32	7.70	-39.02
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300012100731	0	48	0.0	-34.74	386.56	8.63	-26.11
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300012100732	0	55	0.0	-41.16	417.49	7.00	-34.16
CN1C=NC2=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C21	REAL300012100733	0	48	0.0	-38.95	371.80	9.22	-29.73
CCN1N=C(C)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1C	REAL300012100734	0	51	0.0	-38.90	387.14	7.53	-31.37
C=CCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1Cl	REAL300012100735	0	50	0.0	-40.87	403.70	9.23	-31.64
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300012100736	0	48	0.0	-37.96	388.47	8.89	-29.07
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C2OC(C)CC2=C1	REAL300012100737	0	54	0.0	-43.60	409.38	7.54	-36.06
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2OC(C)(C)CC2=C1	REAL300012100738	0	53	0.0	-49.67	400.35	8.92	-40.75
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300012100739	0	48	0.0	-41.78	380.07	6.31	-35.47
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300012100740	0	45	0.0	-40.08	379.88	7.69	-32.39
CC1=CC=CC(C2=NNC=C2C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100741	0	52	0.0	-42.25	392.90	8.36	-33.89
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300012100742	0	45	0.0	-39.76	379.20	9.39	-30.37
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300012100743	0	42	0.0	-32.70	356.62	8.91	-23.79
CC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(Br)=C1	REAL300012100744	0	45	0.0	-30.24	357.72	9.01	-21.23
CC(C)COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100745	0	55	0.0	-36.87	416.37	9.59	-27.28
COCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100746	0	53	0.0	-39.62	408.40	7.37	-32.25
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1	REAL300012100747	0	57	0.0	-39.84	452.18	11.57	-28.27
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300012100748	0	46	0.0	-40.71	378.70	7.99	-32.72
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012100749	0	50	0.0	-41.77	416.46	9.33	-32.44
CN1N=C(C2=CC=CC=C2)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1Cl	REAL300012100750	0	52	0.0	-43.41	417.45	9.15	-34.26
COC1=CC2=C(C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])OCO2	REAL300012100751	0	49	0.0	-36.64	377.66	5.88	-30.76
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300012100752	0	47	0.0	-37.47	358.87	8.20	-29.27
CC(C)COC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100753	0	55	0.0	-34.55	416.38	9.59	-24.96
CC1=CC(Cl)=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100754	0	45	0.0	-35.79	354.93	9.01	-26.78
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC=CC1=CC=C(F)C=C1	REAL300012100755	0	46	0.0	-51.48	360.51	9.04	-42.44
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)N=C1	REAL300012100756	0	41	0.0	-39.73	335.13	6.51	-33.22
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=CC(Br)=C1	REAL300012100757	0	41	0.0	-50.52	339.11	6.49	-44.03
CN1N=NC2=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C21	REAL300012100758	0	47	0.0	-58.64	366.93	6.12	-52.52
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OC(C)(C)C2	REAL300012100759	0	53	0.0	-31.38	400.63	9.09	-22.29
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300012100760	0	47	0.0	-44.25	380.01	8.13	-36.12
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012100761	0	52	0.0	-42.49	395.27	8.99	-33.50
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300012100762	0	49	0.0	-43.12	381.83	9.07	-34.05
CC1=C(Br)SC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100763	0	42	0.0	-37.69	354.93	8.30	-29.39
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300012100764	0	47	0.0	-33.31	381.84	8.91	-24.40
CC1=NC2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C2C=C1	REAL300012100765	0	50	0.0	-40.01	386.11	8.85	-31.16
COC1=CC=C(OC2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C2)C=C1	REAL300012100766	0	57	0.0	-38.82	442.16	10.05	-28.77
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300012100767	0	44	0.0	-32.09	344.33	6.85	-25.24
CC1=CC(C)=CC(C2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C2)=C1	REAL300012100768	0	58	0.0	-37.28	440.44	12.61	-24.67
CC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1N1C=NC=N1	REAL300012100769	0	51	0.0	-41.21	392.13	11.36	-29.85
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300012100770	0	45	0.0	-51.23	357.24	8.27	-42.96
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300012100771	0	49	0.0	-42.52	387.78	8.42	-34.10
COCC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100772	0	49	0.0	-47.61	378.12	7.39	-40.22
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100773	0	52	0.0	-39.47	419.32	10.15	-29.32
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300012100774	0	56	0.0	-36.61	441.10	11.22	-25.39
CCCCOC1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100775	0	55	0.0	-30.72	411.38	9.58	-21.14
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300012100776	0	53	0.0	-38.57	423.94	12.00	-26.57
CC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C(OC(F)F)C=C1C	REAL300012100777	0	52	0.0	-34.87	400.48	8.74	-26.13
COC1=CC(C)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC	REAL300012100778	0	53	0.0	-39.03	396.91	7.68	-31.35
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100779	0	48	0.0	-53.75	387.00	8.55	-45.20
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1S(C)(=O)=O	REAL300012100780	1	48	0.0	-43.23	381.12	6.34	-36.89
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100781	0	51	0.0	-48.41	403.35	7.42	-40.99
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300012100782	0	46	0.0	-48.02	365.95	6.69	-41.33
CSC1=CC(Br)=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100783	0	46	0.0	-32.34	378.63	9.35	-22.99
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300012100784	0	52	0.0	-43.48	414.07	9.61	-33.87
CC1CCC2=C(C1)SC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=N2	REAL300012100785	0	51	0.0	-43.54	392.26	8.02	-35.52
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1CCC(C(C)(C)C)CC1	REAL300012100786	0	60	0.0	-33.94	406.01	9.95	-23.99
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100787	0	56	0.0	-33.55	425.76	10.65	-22.90
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100788	0	56	0.0	-44.59	425.25	10.44	-34.15
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100789	0	55	0.0	-36.30	420.94	8.90	-27.40
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300012100790	0	53	0.0	-36.41	406.45	9.68	-26.73
COC1=CC(Cl)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1Cl	REAL300012100791	0	46	0.0	-46.83	380.33	8.01	-38.82
CC(C)CC1=NC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012100792	0	50	0.0	-47.05	390.79	7.85	-39.20
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300012100793	0	45	0.0	-38.35	380.31	7.97	-30.38
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300012100794	0	45	0.0	-48.58	379.11	7.65	-40.93
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S2)O1	REAL300012100795	0	48	0.0	-40.33	393.15	7.79	-32.54
CC1=CC(Br)=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100796	0	45	0.0	-35.81	359.50	9.10	-26.71
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300012100797	0	42	0.0	-40.47	359.54	8.94	-31.53
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300012100798	0	49	0.0	-48.26	385.85	7.58	-40.68
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300012100799	0	51	0.0	-36.27	398.38	9.57	-26.70
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300012100800	0	45	0.0	-46.61	367.05	8.62	-37.99
COCCOC1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100801	0	53	0.0	-35.21	398.20	7.53	-27.68
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300012100802	0	42	0.0	-31.91	353.01	8.85	-23.06
COC1=C(Br)C=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100803	0	46	0.0	-34.24	371.02	7.82	-26.42
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC2=C(CCC2)S1	REAL300012100804	0	45	0.0	-44.47	353.70	6.83	-37.64
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2=CC=CS2)=N1	REAL300012100805	0	49	0.0	-43.94	389.52	8.09	-35.85
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OC1CCCC1	REAL300012100806	0	56	0.0	-32.39	429.74	10.51	-21.88
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1OC1=CC=CC=C1	REAL300012100807	0	53	0.0	-30.53	424.83	11.16	-19.37
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300012100808	0	57	0.0	-45.33	446.80	8.93	-36.40
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C(C)(C)C	REAL300012100809	0	61	0.0	-36.71	440.31	11.37	-25.34
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300012100810	0	49	0.0	-39.85	390.09	9.82	-30.03
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(C)(C)C)S1	REAL300012100811	0	50	0.0	-35.94	390.28	7.65	-28.29
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2OCCOC2=C1	REAL300012100812	0	48	0.0	-38.10	367.94	7.02	-31.08
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Br)=C1	REAL300012100813	0	42	0.0	-35.10	344.71	8.49	-26.61
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300012100814	0	49	0.0	-41.95	382.25	9.08	-32.87
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300012100815	0	52	0.0	-37.49	420.27	10.01	-27.48
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C(C)(C)C)N=C1	REAL300012100816	0	51	0.0	-36.15	386.19	7.69	-28.46
CC(=O)NC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100817	0	49	0.0	-38.89	379.32	6.80	-32.09
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300012100818	0	44	0.0	-41.38	351.64	8.54	-32.84
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300012100819	0	44	0.0	-45.43	351.63	8.54	-36.89
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300012100820	0	48	0.0	-34.59	363.58	9.98	-24.61
CN(C)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100821	0	50	0.0	-35.07	374.92	8.28	-26.79
CCN(CC)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100822	0	56	0.0	-34.36	418.55	10.18	-24.18
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=C1	REAL300012100823	0	42	0.0	-37.19	344.71	8.50	-28.69
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC(OC)=C1OC	REAL300012100824	0	54	0.0	-42.58	415.32	6.99	-35.59
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1Cl	REAL300012100825	0	42	0.0	-31.94	341.13	8.24	-23.70
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC(F)F	REAL300012100826	0	46	0.0	-35.11	361.41	7.52	-27.59
COC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1OC	REAL300012100827	0	50	0.0	-34.25	381.63	7.10	-27.15
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300012100828	0	42	0.0	-32.67	352.03	8.80	-23.87
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300012100829	0	55	0.0	-37.03	407.43	6.71	-30.32
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC	REAL300012100830	0	50	0.0	-40.30	382.16	7.07	-33.23
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(OC)=C1	REAL300012100831	0	50	0.0	-33.25	381.09	6.52	-26.73
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300012100832	0	45	0.0	-39.05	362.16	8.87	-30.18
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C=C1F	REAL300012100833	0	42	0.0	-34.20	335.40	7.97	-26.23
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300012100834	0	42	0.0	-48.24	350.02	8.62	-39.62
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300012100835	0	42	0.0	-40.44	355.33	8.84	-31.60
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100836	0	63	0.0	-35.17	467.81	12.77	-22.40
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300012100837	0	46	0.0	-39.81	362.67	7.45	-32.36
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300012100838	0	45	0.0	-30.62	346.98	8.71	-21.91
CCCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100839	0	55	0.0	-37.01	417.77	9.68	-27.33
CC(C)CCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100840	0	58	0.0	-36.92	435.33	10.20	-26.72
CCCCCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100841	0	61	0.0	-37.02	460.76	11.24	-25.78
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300012100842	0	53	0.0	-39.31	413.01	10.73	-28.58
CCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(OCCC)=C1	REAL300012100843	0	62	0.0	-32.01	462.50	9.81	-22.20
CC(=CC1=CC=CC=C1)C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100844	0	49	0.0	-35.41	370.95	9.63	-25.78
CCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC	REAL300012100845	0	53	0.0	-40.25	404.02	7.99	-32.26
CC(C)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100846	0	51	0.0	-34.45	383.63	9.80	-24.65
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300012100847	0	45	0.0	-36.36	362.47	8.89	-27.47
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(OC)=C1OC	REAL300012100848	0	54	0.0	-46.93	414.89	6.87	-40.06
CCOC1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100849	0	49	0.0	-30.90	368.32	7.99	-22.91
CCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100850	0	49	0.0	-37.20	374.77	8.10	-29.10
COC1=CC=C(Br)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100851	0	46	0.0	-33.47	372.92	7.85	-25.62
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC(Br)=C1O	REAL300012100852	0	47	0.0	-42.27	384.08	5.64	-36.63
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300012100853	0	52	0.0	-37.09	397.63	11.29	-25.80
COC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C2=CC=CC=C2C=C1	REAL300012100854	0	52	0.0	-32.42	393.80	9.37	-23.05
CSC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100855	0	46	0.0	-37.47	363.63	8.90	-28.57
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300012100856	0	42	0.0	-30.40	349.83	8.64	-21.76
COC1=CC(OC)=C(OC)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100857	0	54	0.0	-47.03	409.77	6.23	-40.80
CC1=CC(C)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=C1	REAL300012100858	0	51	0.0	-33.18	377.69	9.52	-23.66
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1F	REAL300012100859	0	42	0.0	-32.70	334.03	7.92	-24.78
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(F)=C1	REAL300012100860	0	42	0.0	-42.93	336.12	7.99	-34.94
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100861	0	52	0.0	-46.48	416.31	9.66	-36.82
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300012100862	0	56	0.0	-35.82	434.69	11.15	-24.67
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1Br	REAL300012100863	0	42	0.0	-34.95	338.15	8.45	-26.50
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1O	REAL300012100864	0	47	0.0	-41.26	363.68	5.01	-36.25
CC1=NN(C)C(Cl)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100865	0	45	0.0	-45.15	361.09	6.31	-38.84
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300012100866	0	45	0.0	-56.57	365.16	6.85	-49.72
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C(C)(C)C)=N1	REAL300012100867	0	54	0.0	-35.07	380.13	7.95	-27.12
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1I	REAL300012100868	0	42	0.0	-33.76	342.26	8.85	-24.91
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300012100869	0	50	0.0	-39.39	400.62	7.09	-32.30
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300012100870	0	59	0.0	-49.38	446.42	11.12	-38.26
CN(CCC#N)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100871	0	54	0.0	-39.36	417.58	9.73	-29.63
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300012100872	0	52	0.0	-35.65	401.52	9.55	-26.10
CCOC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1OC	REAL300012100873	0	53	0.0	-34.05	403.48	8.02	-26.03
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OCC(N)=O	REAL300012100874	0	54	0.0	-49.38	420.75	5.03	-44.35
C#CCOC1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100875	0	48	0.0	-31.77	373.74	8.52	-23.25
CCNC(=O)COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC	REAL300012100876	0	60	0.0	-51.27	464.17	7.31	-43.96
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC2=C1OCO2	REAL300012100877	0	49	0.0	-44.58	379.00	5.81	-38.77
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300012100878	1	48	0.0	-42.41	377.84	7.66	-34.75
COC1=CC2=C(C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])OC(C)C2	REAL300012100879	0	54	0.0	-34.48	408.72	7.83	-26.65
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300012100880	0	58	0.0	-51.44	453.91	4.83	-46.61
CCN(C(C)=O)C1=NC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CS1	REAL300012100881	1	51	0.0	-47.90	402.55	7.75	-40.15
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1C	REAL300012100882	0	49	0.0	-37.08	372.99	7.92	-29.16
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C(C)(C)C	REAL300012100883	0	51	0.0	-35.11	361.55	6.62	-28.49
COC1=CC=CC(OC)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100884	0	50	0.0	-31.30	379.74	6.60	-24.70
COC1=CC=C(F)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100885	0	46	0.0	-36.91	357.37	7.21	-29.70
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(I)=C1	REAL300012100886	0	42	0.0	-34.80	351.20	8.96	-25.84
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(I)C=C1	REAL300012100887	0	42	0.0	-36.98	351.19	8.97	-28.01
CSC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012100888	0	43	0.0	-36.29	356.93	8.20	-28.09
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300012100889	0	52	0.0	-42.39	411.08	8.70	-33.69
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100890	0	55	0.0	-32.70	403.12	11.67	-21.03
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OCO2	REAL300012100891	0	45	0.0	-34.60	349.44	6.52	-28.08
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CS1	REAL300012100892	0	39	0.0	-31.05	328.91	7.43	-23.62
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(S(C)(=O)=O)C=C1	REAL300012100893	0	48	0.0	-46.46	384.09	5.39	-41.07
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300012100894	0	52	0.0	-37.52	414.35	11.81	-25.71
COC1=CC=C(F)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100895	0	46	0.0	-34.22	358.02	7.31	-26.91
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(N)=O)C=C1	REAL300012100896	0	46	0.0	-45.98	357.95	4.65	-41.33
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1F	REAL300012100897	0	46	0.0	-41.15	359.15	7.24	-33.91
COC1=CC=C(Cl)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100898	0	46	0.0	-33.47	368.36	7.75	-25.72
COC(=O)C1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CN1C	REAL300012100899	0	49	0.0	-51.40	382.37	7.87	-43.53
CC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1Cl	REAL300012100900	0	45	0.0	-35.11	358.88	8.97	-26.14
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1C	REAL300012100901	0	49	0.0	-36.43	373.01	7.91	-28.52
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C#N)C=C1F	REAL300012100902	0	43	0.0	-38.32	349.81	8.29	-30.03
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300012100903	0	55	0.0	-37.85	427.45	9.46	-28.39
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C=N1	REAL300012100904	0	41	0.0	-39.62	339.73	6.63	-32.99
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300012100905	0	51	0.0	-38.31	397.10	5.18	-33.13
C#CCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100906	0	51	0.0	-37.60	402.05	9.42	-28.18
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN2C=CC=CC2=N1	REAL300012100907	0	45	0.0	-42.56	350.39	8.39	-34.17
CC1=NN(C)C2=NC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C12	REAL300012100908	0	50	0.0	-43.48	389.69	7.60	-35.88
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(C2CC2)=N1	REAL300012100909	0	45	0.0	-46.27	359.52	6.90	-39.37
CCC1=NC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CS1	REAL300012100910	0	44	0.0	-37.37	351.49	6.34	-31.03
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300012100911	0	45	0.0	-41.12	367.13	8.87	-32.25
CCOCC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OC	REAL300012100912	0	56	0.0	-38.29	427.00	8.08	-30.21
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(N)=O)=C1	REAL300012100913	0	46	0.0	-38.50	357.96	4.64	-33.86
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300012100914	0	45	0.0	-45.18	358.01	7.46	-37.72
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300012100915	0	51	0.0	-41.23	414.31	7.33	-33.90
COC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1F	REAL300012100916	0	46	0.0	-45.55	357.84	7.00	-38.55
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1Br	REAL300012100917	0	42	0.0	-31.55	343.02	8.27	-23.28
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2CCCC2=C1	REAL300012100918	0	49	0.0	-35.11	368.95	9.78	-25.33
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC=C1Br	REAL300012100919	0	39	0.0	-30.96	330.61	7.35	-23.61
CC(C)COC1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100920	0	55	0.0	-33.73	401.14	9.62	-24.11
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC2=C(CCCC2)S1	REAL300012100921	0	48	0.0	-32.89	371.94	7.62	-25.27
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300012100922	0	42	0.0	-38.21	351.12	8.55	-29.66
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300012100923	0	47	0.0	-52.50	363.94	8.15	-44.35
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1Br	REAL300012100924	0	42	0.0	-48.69	344.15	8.29	-40.40
COC1=CC(F)=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100925	0	46	0.0	-37.79	359.33	7.24	-30.55
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Br)=C1F	REAL300012100926	0	42	0.0	-50.08	348.04	8.34	-41.74
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(C)(C)C)N=C1	REAL300012100927	0	52	0.0	-51.27	394.68	7.62	-43.65
CS(=O)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100928	0	47	0.0	-49.88	375.63	6.47	-43.41
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2CCCCC2=C1	REAL300012100929	0	52	0.0	-46.00	385.64	10.17	-35.83
COC(=O)C1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CN1	REAL300012100930	0	46	0.0	-38.62	365.07	6.31	-32.31
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=C1OC	REAL300012100931	0	53	0.0	-49.20	396.68	7.55	-41.65
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(Cl)=C1Cl	REAL300012100932	0	39	0.0	-44.47	343.89	7.67	-36.80
COC1=CC(C)=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100933	0	49	0.0	-31.50	373.03	7.90	-23.60
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300012100934	0	41	0.0	-41.00	349.51	6.27	-34.73
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(S(C)(=O)=O)=C1	REAL300012100935	0	48	0.0	-44.23	384.11	5.38	-38.85
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CS1	REAL300012100936	0	39	0.0	-35.47	330.54	7.48	-27.99
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300012100937	0	55	0.0	-34.41	406.96	11.06	-23.35
CC1=CC(Cl)=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100938	0	45	0.0	-35.06	361.55	9.04	-26.02
COCC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012100939	0	49	0.0	-36.92	378.48	7.60	-29.32
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300012100940	0	49	0.0	-45.02	377.94	9.44	-35.58
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300012100941	0	49	0.0	-34.90	372.64	9.98	-24.92
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC=C(Cl)S1	REAL300012100942	1	38	0.0	-34.21	325.26	5.63	-28.58
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1CCCC1	REAL300012100943	0	52	0.0	-37.18	389.58	8.36	-28.82
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100944	0	52	0.0	-33.61	397.40	9.50	-24.11
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300012100945	0	45	0.0	-37.70	357.57	8.80	-28.90
COC1=CC(C)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=N1	REAL300012100946	0	51	0.0	-38.27	383.09	5.58	-32.69
COC1=CC=CC(Cl)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100947	0	46	0.0	-31.61	365.64	7.65	-23.96
CCC1=CC(OC)=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100948	0	52	0.0	-46.02	385.87	8.25	-37.77
CC1=NC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])N1C1=CC=CC=C1	REAL300012100949	0	52	0.0	-35.85	402.45	10.14	-25.71
CCCN1N=C(C)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1C	REAL300012100950	0	54	0.0	-38.81	407.58	8.24	-30.57
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300012100951	0	47	0.0	-40.61	365.41	7.53	-33.08
COCCN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=N1	REAL300012100952	0	49	0.0	-50.33	380.96	5.39	-44.94
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300012100953	0	52	0.0	-34.44	389.17	10.46	-23.98
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC2=CC=CC=C21	REAL300012100954	0	52	0.0	-38.06	397.89	9.48	-28.58
CCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1F	REAL300012100955	0	49	0.0	-42.57	381.00	8.17	-34.40
COC1=CC=CC2=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=CC=C12	REAL300012100956	0	52	0.0	-36.76	391.96	9.33	-27.43
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1C#N	REAL300012100957	0	47	0.0	-45.25	373.12	7.58	-37.67
CC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100958	0	52	0.0	-39.46	397.49	9.72	-29.74
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300012100959	1	41	0.0	-35.98	348.76	6.19	-29.79
CC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1C#N	REAL300012100960	0	46	0.0	-42.23	363.42	8.77	-33.46
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300012100961	0	49	0.0	-40.04	387.42	6.18	-33.86
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(Br)=C1	REAL300012100962	0	46	0.0	-32.10	365.77	7.63	-24.47
CC(C)CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=N1	REAL300012100963	0	51	0.0	-39.37	384.64	8.12	-31.25
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C1CC1	REAL300012100964	0	49	0.0	-32.83	364.19	9.79	-23.04
CC1=CC(Br)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012100965	0	42	0.0	-30.64	353.80	8.28	-22.36
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(=O)OC(C)(C)C)=C1	REAL300012100966	0	57	0.0	-36.48	433.12	10.58	-25.90
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100967	0	52	0.0	-29.84	410.57	10.50	-19.34
CCC1=CN=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012100968	0	44	0.0	-32.75	351.60	6.59	-26.16
CN1C(=O)CCC2=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C21	REAL300012100969	0	53	0.0	-42.09	399.28	8.77	-33.32
CC1=CC=C(OC(F)F)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012100970	0	49	0.0	-45.73	382.30	7.98	-37.75
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300012100971	0	48	0.0	-37.84	405.19	9.41	-28.43
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300012100972	0	48	0.0	-39.69	392.95	9.13	-30.56
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100973	0	59	0.0	-44.26	447.08	11.11	-33.15
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300012100974	0	53	0.0	-32.47	417.79	10.21	-22.26
CC1=NN(C(C)C)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100975	0	51	0.0	-36.62	386.03	7.65	-28.97
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300012100976	0	47	0.0	-53.93	379.81	8.66	-45.27
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300012100977	0	51	0.0	-35.93	395.31	8.51	-27.42
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300012100978	0	48	0.0	-40.46	396.60	9.12	-31.34
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CC2)S1	REAL300012100979	0	45	0.0	-36.45	361.35	7.49	-28.96
CC(C)C1=NC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012100980	0	47	0.0	-47.25	371.91	6.99	-40.26
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300012100981	0	45	0.0	-40.35	371.21	6.97	-33.38
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(Cl)=C1	REAL300012100982	0	42	0.0	-40.43	359.54	8.94	-31.49
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300012100983	0	54	0.0	-48.91	432.53	10.19	-38.72
CN1C=C(C2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C2)C=N1	REAL300012100984	0	52	0.0	-39.54	403.53	9.17	-30.37
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(CC(F)F)N=C1	REAL300012100985	0	45	0.0	-53.62	359.13	6.67	-46.95
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300012100986	0	53	0.0	-38.51	418.80	10.79	-27.72
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300012100987	0	52	0.0	-42.20	401.69	9.07	-33.13
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300012100988	0	53	0.0	-44.56	416.09	9.39	-35.17
CN(C)C(=O)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])N1	REAL300012100989	0	50	0.0	-43.49	380.55	6.09	-37.40
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(C(N)=O)=CS1	REAL300012100990	0	43	0.0	-51.71	349.28	3.54	-48.17
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=N1	REAL300012100991	0	56	0.0	-39.48	431.58	10.33	-29.15
CCC1=NN(C)C(CC)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100992	0	54	0.0	-46.41	399.94	7.98	-38.43
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CCC2)S1	REAL300012100993	0	48	0.0	-36.02	377.96	7.99	-28.03
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300012100994	0	49	0.0	-39.10	387.46	6.10	-33.00
CC1=CC=CC=C1N1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])N=N1	REAL300012100995	1	51	0.0	-44.18	396.99	8.62	-35.56
CN1N=C(Br)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100996	0	42	0.0	-39.86	345.75	5.93	-33.93
CN1C=C(C2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S2)C=N1	REAL300012100997	0	49	0.0	-39.44	397.37	8.56	-30.88
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300012100998	0	54	0.0	-37.90	402.49	8.77	-29.13
CCOC1=C(Cl)C=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012100999	0	49	0.0	-38.66	379.24	8.79	-29.87
CCC1=CC=CC(F)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101000	0	48	0.0	-29.50	360.30	9.24	-20.26
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300012101001	0	42	0.0	-51.53	355.87	8.67	-42.86
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NN(C(F)F)C=C1	REAL300012101002	0	42	0.0	-49.43	339.17	5.57	-43.86
COC1=CC=CC=C1N1N=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101003	0	53	0.0	-40.94	408.88	8.27	-32.67
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300012101004	0	46	0.0	-32.19	373.38	7.75	-24.44
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300012101005	0	49	0.0	-41.37	385.89	8.85	-32.52
CC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300012101006	0	55	0.0	-37.73	414.49	9.70	-28.03
CC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2=CC=NN2C)=C1	REAL300012101007	0	55	0.0	-43.49	417.75	9.18	-34.31
CC(C)C1=CN=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012101008	0	47	0.0	-32.62	371.55	7.17	-25.45
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300012101009	0	52	0.0	-40.28	420.96	10.09	-30.19
CC1=CC(Br)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1Cl	REAL300012101010	0	45	0.0	-44.24	373.89	9.35	-34.89
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300012101011	0	52	0.0	-35.16	422.75	9.85	-25.31
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC=C(C(C)(C)C)S1	REAL300012101012	0	50	0.0	-32.48	389.75	7.67	-24.81
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(C2CC2)N=CS1	REAL300012101013	0	45	0.0	-35.77	358.80	7.31	-28.46
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(CCC#N)N=C1C1=CC=NC=C1	REAL300012101014	0	55	0.0	-46.19	432.73	8.63	-37.56
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300012101015	0	48	0.0	-37.67	367.55	11.08	-26.59
COC(=O)C1=C(C)N(C)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101016	0	52	0.0	-52.30	400.99	8.18	-44.12
COCCCN1N=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101017	0	52	0.0	-38.08	401.22	6.17	-31.91
CC1=CC(F)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(Cl)=C1	REAL300012101018	0	45	0.0	-31.47	362.48	8.91	-22.56
COCCOCC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012101019	0	56	0.0	-38.23	433.96	7.83	-30.40
CSCC1=CN=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012101020	0	45	0.0	-33.99	374.83	7.04	-26.95
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC=C1C(F)(F)F	REAL300012101021	0	42	0.0	-30.52	339.71	7.78	-22.74
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300012101022	0	48	0.0	-39.66	393.68	10.39	-29.27
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300012101023	0	56	0.0	-39.00	446.84	10.28	-28.72
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300012101024	0	49	0.0	-46.23	372.15	9.77	-36.46
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C#N)C(F)=C1	REAL300012101025	0	43	0.0	-47.18	350.17	8.31	-38.87
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300012101026	0	45	0.0	-40.97	363.02	6.97	-34.00
CC1=CC(F)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(F)=C1	REAL300012101027	0	45	0.0	-32.22	355.45	8.60	-23.62
CC1=CC=C(C2=NN(C)C=C2C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])O1	REAL300012101028	0	52	0.0	-39.29	397.16	8.21	-31.08
CC(C)CN1N=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101029	0	51	0.0	-35.95	380.83	7.96	-27.99
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CN=C1Cl	REAL300012101030	0	41	0.0	-38.57	351.68	7.10	-31.47
COC(=O)C1=C(C)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CN1	REAL300012101031	0	49	0.0	-38.87	380.98	6.89	-31.98
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S2)C=C1C	REAL300012101032	0	54	0.0	-38.10	426.80	10.10	-28.00
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101033	0	52	0.0	-42.74	406.98	9.78	-32.96
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101034	0	52	0.0	-40.53	414.68	10.32	-30.21
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101035	0	55	0.0	-39.36	423.21	10.35	-29.01
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(C)(C)C#N)C=C1	REAL300012101036	0	52	0.0	-42.15	400.00	9.83	-32.32
CC(C)C1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101037	0	51	0.0	-32.59	376.77	9.64	-22.95
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NN2CCCCC2=C1	REAL300012101038	0	49	0.0	-37.94	368.01	7.21	-30.73
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300012101039	0	48	0.0	-41.84	373.56	7.53	-34.31
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CN=CC=C2O1	REAL300012101040	0	44	0.0	-42.28	346.04	6.66	-35.62
COC1=CC(OC)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1F	REAL300012101041	0	50	0.0	-48.35	386.77	6.41	-41.94
COC1=CC(F)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC	REAL300012101042	0	50	0.0	-49.88	386.14	6.93	-42.95
CC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(Cl)=C1	REAL300012101043	0	45	0.0	-30.87	356.72	8.96	-21.91
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101044	0	55	0.0	-39.52	423.28	10.33	-29.19
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(F)=C1	REAL300012101045	0	46	0.0	-33.69	358.48	7.19	-26.50
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1CCC2	REAL300012101046	0	49	0.0	-44.95	367.18	9.50	-35.45
COC1=CC=CC(F)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101047	0	46	0.0	-33.20	356.90	7.27	-25.93
CCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=C1	REAL300012101048	0	55	0.0	-35.27	411.03	9.51	-25.76
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=NC=C2S1	REAL300012101049	0	44	0.0	-40.71	355.54	7.63	-33.08
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300012101050	0	45	0.0	-50.60	372.11	8.82	-41.78
CCC1=C2OC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC2=CC=C1	REAL300012101051	0	51	0.0	-39.85	394.22	9.81	-30.04
C=CCCN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])N=N1	REAL300012101052	1	48	0.0	-53.71	375.47	6.33	-47.38
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NN1CC1CC1	REAL300012101053	0	49	0.0	-47.14	372.55	7.75	-39.39
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300012101054	0	50	0.0	-34.49	389.57	8.88	-25.61
CCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=C1	REAL300012101055	0	52	0.0	-35.44	389.54	8.71	-26.73
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300012101056	0	46	0.0	-47.12	367.25	7.38	-39.74
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300012101057	0	46	0.0	-48.14	367.29	7.37	-40.77
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300012101058	0	55	0.0	-34.23	407.64	11.08	-23.15
CN1C=C(C2=NN(C)C=C2C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=N1	REAL300012101059	0	52	0.0	-49.26	403.37	6.86	-42.40
COCC1=CSC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101060	0	46	0.0	-35.72	368.96	6.70	-29.02
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCC2)N=N1	REAL300012101061	1	48	0.0	-44.69	365.62	6.34	-38.35
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300012101062	0	48	0.0	-38.35	405.20	9.41	-28.94
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300012101063	0	42	0.0	-51.91	353.55	7.82	-44.09
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300012101064	0	42	0.0	-41.56	345.33	7.24	-34.32
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300012101065	0	42	0.0	-42.98	344.97	7.77	-35.21
CN(C)C1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=CC(F)=C1F	REAL300012101066	0	50	0.0	-35.82	384.08	7.91	-27.91
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300012101067	0	42	0.0	-33.90	348.64	8.36	-25.54
CC(C)OC1=CC(Cl)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1Cl	REAL300012101068	0	52	0.0	-45.68	420.29	9.55	-36.13
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300012101069	0	54	0.0	-51.04	408.43	7.32	-43.72
CN(C)C1=CC(F)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1F	REAL300012101070	0	50	0.0	-48.81	388.30	7.27	-41.54
COC(=O)C1=C2CCCCN2C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101071	0	56	0.0	-39.23	425.23	9.60	-29.63
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300012101072	0	42	0.0	-55.19	340.02	7.86	-47.33
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC(C(F)(F)F)=C1	REAL300012101073	0	49	0.0	-39.22	391.64	8.16	-31.06
C=CCOC1=C(Cl)C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC	REAL300012101074	0	54	0.0	-42.74	436.88	9.24	-33.50
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC1CC1	REAL300012101075	0	54	0.0	-52.33	412.94	8.55	-43.78
CN1N=C(C(F)(F)F)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101076	0	45	0.0	-40.85	365.63	6.45	-34.40
COCC(C)OC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012101077	0	56	0.0	-37.20	424.69	8.11	-29.09
CCCC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012101078	0	48	0.0	-34.85	378.50	9.34	-25.51
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300012101079	0	49	0.0	-36.79	390.78	10.49	-26.30
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300012101080	0	55	0.0	-36.98	420.52	10.02	-26.96
CC(C)C1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101081	0	51	0.0	-34.28	383.64	9.79	-24.49
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(Cl)=N1	REAL300012101082	0	42	0.0	-42.65	342.87	6.08	-36.57
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300012101083	0	49	0.0	-45.79	388.41	8.73	-37.06
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1C(C)(C)C	REAL300012101084	0	58	0.0	-35.72	424.08	9.85	-25.87
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300012101085	0	55	0.0	-46.03	413.99	11.19	-34.84
COC1=CC=CC(OC(F)(F)F)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101086	0	50	0.0	-30.64	396.22	7.09	-23.55
CC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=NC=C1Br	REAL300012101087	0	44	0.0	-39.45	358.22	7.23	-32.22
CC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C(Br)C=C1F	REAL300012101088	0	45	0.0	-37.15	365.31	9.15	-28.00
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(O)C=CC=C1Br	REAL300012101089	0	43	0.0	-34.11	351.21	5.57	-28.54
CN1C=C(C2=NC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CS2)C=N1	REAL300012101090	0	48	0.0	-43.06	392.92	6.45	-36.61
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1Cl	REAL300012101091	0	46	0.0	-39.43	368.95	7.72	-31.71
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NN1CC1CCC1	REAL300012101092	0	52	0.0	-37.05	394.34	8.41	-28.64
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300012101093	1	48	0.0	-47.53	382.73	7.77	-39.76
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300012101094	0	48	0.0	-47.28	372.18	9.25	-38.03
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(Br)=N1	REAL300012101095	0	42	0.0	-41.62	346.95	6.15	-35.47
CC(=O)NC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101096	0	49	0.0	-42.89	379.36	6.78	-36.11
CN1N=CC2=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CN=C21	REAL300012101097	0	47	0.0	-43.10	367.72	7.00	-36.10
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC=C(Br)C=C1F	REAL300012101098	0	41	0.0	-33.97	345.07	6.68	-27.29
COC1=CC(Cl)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC	REAL300012101099	0	50	0.0	-48.35	393.53	7.36	-40.99
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300012101100	0	48	0.0	-36.72	384.42	9.67	-27.05
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(CNC(=O)OC(C)(C)C)=C1	REAL300012101101	0	62	0.0	-50.97	470.95	8.11	-42.86
CN1N=C2CCCCC2=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101102	0	52	0.0	-49.30	387.15	7.66	-41.64
CCOC(=O)C1=C(C)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C(C)N1	REAL300012101103	0	55	0.0	-42.36	423.48	8.25	-34.11
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300012101104	0	41	0.0	-55.66	340.54	6.36	-49.30
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300012101105	0	52	0.0	-37.24	416.43	11.84	-25.40
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(F)=C1F	REAL300012101106	0	42	0.0	-53.77	354.33	8.40	-45.37
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Br)SC=C1	REAL300012101107	0	39	0.0	-34.80	331.35	7.53	-27.27
CCOC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C(F)C=C1OC	REAL300012101108	0	53	0.0	-49.73	407.99	7.84	-41.89
COC1=NC=C(Br)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101109	0	45	0.0	-33.98	370.64	5.24	-28.74
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300012101110	0	48	0.0	-49.40	369.45	9.84	-39.56
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CN=C1Br	REAL300012101111	0	41	0.0	-40.20	333.34	6.55	-33.65
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C(F)C=C1Br	REAL300012101112	0	46	0.0	-50.36	377.33	7.68	-42.68
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Br)=C1Cl	REAL300012101113	0	42	0.0	-48.26	354.23	8.72	-39.54
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300012101114	0	46	0.0	-45.33	368.02	7.95	-37.38
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101115	0	52	0.0	-44.52	397.33	8.65	-35.87
CCOC1=CC(F)=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101116	0	49	0.0	-37.70	381.18	8.16	-29.54
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300012101117	0	56	0.0	-42.40	419.34	8.89	-33.51
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300012101118	0	46	0.0	-35.49	368.23	7.47	-28.02
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC(C)(C)C)=C1	REAL300012101119	0	55	0.0	-33.82	403.79	9.03	-24.79
CC1=C(Cl)C=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101120	0	45	0.0	-46.13	351.80	8.72	-37.41
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C(F)C=C1C	REAL300012101121	0	49	0.0	-47.16	376.99	7.77	-39.39
CC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=C1Br	REAL300012101122	0	48	0.0	-45.97	374.01	9.38	-36.59
CC1=CC=NC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1Br	REAL300012101123	1	44	0.0	-41.65	354.71	6.91	-34.74
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(NC(=O)OC(C)(C)C)C=C1	REAL300012101124	0	59	0.0	-37.37	445.32	8.15	-29.22
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300012101125	0	52	0.0	-39.39	407.27	9.26	-30.13
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC(C(C)(C)C)=CS1	REAL300012101126	0	50	0.0	-32.70	388.99	7.60	-25.10
COCCC1=NC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012101127	0	48	0.0	-37.81	385.27	5.66	-32.15
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC(F)=C1O	REAL300012101129	1	43	0.0	-38.25	360.65	5.77	-32.48
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300012101130	1	43	0.0	-38.90	345.76	5.21	-33.69
CN1N=C2CCSCC2=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101131	0	50	0.0	-42.05	387.85	7.54	-34.51
CCN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300012101132	0	55	0.0	-42.93	416.10	9.86	-33.07
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1CCOC2	REAL300012101133	0	50	0.0	-35.94	369.05	7.79	-28.15
COCC1=C(C)C=C(C)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1C	REAL300012101134	0	58	0.0	-45.40	423.71	8.87	-36.53
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300012101135	0	44	0.0	-48.33	351.18	8.42	-39.91
CC1=C(Br)C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012101136	0	42	0.0	-35.02	354.96	8.33	-26.69
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300012101137	0	52	0.0	-37.65	414.36	11.80	-25.85
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300012101138	0	47	0.0	-50.17	359.21	7.92	-42.25
CCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1C	REAL300012101139	0	55	0.0	-36.74	416.34	9.64	-27.10
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300012101140	0	46	0.0	-41.01	359.48	6.28	-34.73
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1CN1C=CC=N1	REAL300012101141	0	56	0.0	-41.77	435.63	8.85	-32.92
CCOC1=CC=CC(F)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101142	0	49	0.0	-32.65	376.51	8.12	-24.53
CC1=CC=C(Br)C(F)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101143	0	45	0.0	-39.23	365.19	8.97	-30.26
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012101144	0	47	0.0	-53.63	360.57	8.78	-44.85
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101145	0	50	0.0	-44.25	381.45	9.51	-34.74
COC1=CC=C(CN2C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])N=N2)C=C1	REAL300012101146	1	55	0.0	-49.96	431.08	7.52	-42.44
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(F)=C1OC	REAL300012101147	0	50	0.0	-48.57	391.01	7.01	-41.56
COC(=O)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(F)=C1	REAL300012101148	0	48	0.0	-37.96	383.77	8.56	-29.40
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300012101149	0	52	0.0	-36.42	409.91	8.27	-28.15
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300012101150	0	56	0.0	-36.47	434.70	11.14	-25.33
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300012101151	0	49	0.0	-40.41	378.06	8.60	-31.81
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C=N1	REAL300012101152	0	41	0.0	-39.64	335.16	6.52	-33.12
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101153	0	58	0.0	-37.87	439.13	10.90	-26.97
CC1=CC(C#N)=CC(C)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101154	0	49	0.0	-39.21	376.82	9.31	-29.90
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(CCF)N=C1	REAL300012101155	0	45	0.0	-50.81	353.88	6.48	-44.33
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC(C(C)(C)C)=CO1	REAL300012101156	1	50	0.0	-35.63	380.99	5.24	-30.39
CCCC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012101157	0	51	0.0	-34.45	387.80	10.09	-24.36
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300012101158	0	48	0.0	-39.12	404.98	9.18	-29.94
COC1=CC=C(C2=NC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CS2)C=C1	REAL300012101159	0	52	0.0	-48.97	417.23	7.78	-41.19
CC1=C2C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=NC2=NN1	REAL300012101161	0	47	0.0	-50.91	366.50	6.39	-44.52
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1	REAL300012101162	0	50	0.0	-46.86	400.59	4.52	-42.34
CN1N=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C2=CC=CC=C21	REAL300012101163	0	48	0.0	-39.36	373.36	7.79	-31.57
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C2C=CC=CC2=NN1	REAL300012101164	0	45	0.0	-42.78	350.33	6.48	-36.30
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NNC2=CC=CC=C21	REAL300012101164	1	45	0.0	-35.10	350.52	6.49	-28.61
CN1C(Cl)=NC(Cl)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101165	0	42	0.0	-42.43	356.89	7.16	-35.27
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300012101166	0	47	0.0	-38.05	359.51	8.10	-29.95
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])N2C=CC=CC2=N1	REAL300012101167	0	48	0.0	-42.43	369.90	8.84	-33.59
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101168	0	62	0.0	-34.50	444.15	10.10	-24.40
CCC1=NC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012101169	0	44	0.0	-47.57	351.13	6.38	-41.19
COC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])SC=C1	REAL300012101170	0	43	0.0	-31.40	343.53	6.28	-25.12
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300012101171	0	48	0.0	-43.15	379.62	6.09	-37.06
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC=C1Cl	REAL300012101172	0	39	0.0	-31.41	328.15	7.27	-24.14
CC1=NN2C(=NC(C)=C2C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012101173	0	47	0.0	-38.26	377.78	7.04	-31.22
CC1=NN2C(=NC(C(C)C)=C2C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012101174	0	53	0.0	-37.14	419.76	8.33	-28.81
CCCC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C1=CC=CC=C1	REAL300012101175	0	54	0.0	-34.65	400.64	10.61	-24.04
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300012101176	0	47	0.0	-41.50	376.69	8.60	-32.90
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300012101177	0	42	0.0	-51.25	353.81	7.98	-43.27
CN(C)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C(F)(F)F)=C1	REAL300012101178	0	53	0.0	-30.49	398.68	9.08	-21.41
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101179	0	52	0.0	-33.97	405.11	10.48	-23.49
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101180	0	51	0.0	-41.30	413.64	9.47	-31.83
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300012101181	0	61	0.0	-37.05	460.45	11.37	-25.68
CC(C)C1CCC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])CC1	REAL300012101182	0	57	0.0	-33.88	400.17	9.93	-23.95
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300012101183	0	45	0.0	-44.26	383.33	9.21	-35.05
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300012101184	0	45	0.0	-43.58	371.73	8.98	-34.60
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101185	0	53	0.0	-38.17	410.22	9.26	-28.91
COCC1=CC=CC=C1C=C(C)C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101186	0	56	0.0	-37.41	421.90	9.46	-27.95
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101187	0	52	0.0	-43.75	396.33	8.52	-35.23
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300012101188	0	51	0.0	-38.43	389.66	9.84	-28.59
CN1N=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1Cl	REAL300012101189	0	42	0.0	-35.18	342.06	6.00	-29.18
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CN=C2O1	REAL300012101190	0	44	0.0	-45.70	346.09	5.34	-40.36
COC1=CC=C(N2C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=N2)C=C1	REAL300012101191	0	53	0.0	-40.21	411.74	8.37	-31.84
CN(CC1=CC=CS1)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012101192	0	57	0.0	-35.15	443.66	11.23	-23.92
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300012101193	0	44	0.0	-54.50	362.36	5.65	-48.85
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300012101194	0	49	0.0	-35.31	372.58	9.99	-25.32
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NC=C1Br	REAL300012101195	0	41	0.0	-37.90	334.33	6.67	-31.23
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(S(C)(=O)=O)S1	REAL300012101196	0	45	0.0	-47.73	376.53	4.55	-43.18
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300012101197	0	62	0.0	-37.62	460.43	11.75	-25.87
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300012101198	0	48	0.0	-36.87	375.60	8.56	-28.31
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1F	REAL300012101199	0	47	0.0	-42.79	383.17	2.86	-39.93
CC1=C(Br)C=NC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101201	0	44	0.0	-37.82	351.82	7.24	-30.58
CN1N=CC(C(F)(F)F)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101202	0	45	0.0	-41.33	360.40	6.44	-34.89
CN1N=CC(C2CC2)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101203	0	49	0.0	-38.44	375.03	7.54	-30.90
CN1N=CC(C2CCC2)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101204	0	52	0.0	-38.39	390.91	8.02	-30.37
CC1=C2C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])NC2=CC=C1	REAL300012101205	0	49	0.0	-38.69	376.25	8.46	-30.23
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300012101206	0	48	0.0	-42.91	374.51	7.03	-35.88
CC1=CC=C2C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])NC2=C1	REAL300012101207	0	49	0.0	-37.90	376.67	8.47	-29.43
CCOC1=CN=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101208	0	48	0.0	-49.83	369.23	6.08	-43.75
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NC=C1Cl	REAL300012101209	0	41	0.0	-38.60	330.69	6.57	-32.03
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1CCOCC1	REAL300012101210	0	53	0.0	-38.37	399.09	6.50	-31.87
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=NNC=C21	REAL300012101211	0	45	0.0	-42.57	349.25	6.56	-36.01
CCC(F)(F)C(C)(C)C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101212	0	50	0.0	-48.78	362.48	8.05	-40.73
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2C=CNC2=C1	REAL300012101213	0	46	0.0	-38.17	354.78	7.90	-30.27
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300012101214	0	45	0.0	-45.07	356.03	5.36	-39.71
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300012101215	0	44	0.0	-43.29	351.43	6.99	-36.30
CN(C)C1=CC=C(C#N)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101216	0	51	0.0	-37.22	395.65	8.28	-28.94
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300012101217	1	52	0.0	-47.74	397.88	5.32	-42.42
COC1=CN=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1C	REAL300012101218	0	48	0.0	-38.19	361.28	5.93	-32.26
CC1=CC(C)=C(C=CC[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=C1	REAL300012101219	0	55	0.0	-36.70	413.45	11.01	-25.69
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300012101220	0	62	0.0	-37.32	463.17	6.76	-30.56
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC(CC(F)F)NC(=O)OC(C)(C)C	REAL300012101221	0	58	0.0	-54.43	429.63	6.43	-48.00
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300012101222	1	52	0.0	-45.84	398.44	5.45	-40.39
CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101223	0	50	0.0	-32.99	381.47	7.92	-25.07
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300012101224	0	47	0.0	-42.62	370.85	8.30	-34.32
CC1=CC(C)=C(C=CC[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1C	REAL300012101225	0	55	0.0	-36.14	410.33	10.90	-25.24
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1	REAL300012101226	0	47	0.0	-44.48	377.66	2.83	-41.65
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC=CC2=C1CCCC2	REAL300012101227	0	51	0.0	-31.36	375.78	8.41	-22.95
CC1=NN(C)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1Cl	REAL300012101228	0	45	0.0	-49.66	362.03	6.32	-43.34
CN1C=CC(C2=NC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CS2)=N1	REAL300012101229	0	48	0.0	-46.58	393.03	6.34	-40.24
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2CCCC2)=N1	REAL300012101230	0	55	0.0	-37.28	411.67	8.78	-28.50
CC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1Br	REAL300012101231	0	45	0.0	-30.71	355.09	8.90	-21.81
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300012101232	0	53	0.0	-38.25	419.06	10.83	-27.42
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2OCCCC2=C1	REAL300012101233	0	50	0.0	-49.02	376.64	8.31	-40.71
CN(C)C(=O)C1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101234	0	52	0.0	-39.19	396.03	7.74	-31.45
CCC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(Cl)=NN1	REAL300012101235	0	45	0.0	-39.36	361.49	6.00	-33.36
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300012101236	0	46	0.0	-32.78	369.77	6.82	-25.96
CC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C2CCCCC2=N1	REAL300012101237	0	54	0.0	-49.18	395.55	8.85	-40.33
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300012101238	0	57	0.0	-31.75	403.52	9.86	-21.89
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300012101239	1	41	0.0	-52.67	348.59	5.78	-46.89
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300012101240	0	45	0.0	-40.82	362.84	8.85	-31.97
COC(=O)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1C	REAL300012101241	0	51	0.0	-41.50	393.96	9.08	-32.42
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=C1	REAL300012101242	0	49	0.0	-35.59	367.68	7.78	-27.81
CC1=C(Cl)C=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1Cl	REAL300012101243	0	45	0.0	-32.50	368.09	9.31	-23.19
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(C#N)=CC=C1Br	REAL300012101244	0	43	0.0	-37.96	359.22	8.84	-29.12
CC1CC2=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C2O1	REAL300012101245	0	50	0.0	-37.33	380.29	8.47	-28.86
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300012101246	0	45	0.0	-50.83	354.71	5.17	-45.66
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1OCC2	REAL300012101247	0	47	0.0	-31.81	359.19	7.70	-24.11
CSCC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012101248	0	49	0.0	-36.76	389.54	9.76	-27.00
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300012101249	0	52	0.0	-36.57	395.65	8.62	-27.95
CN1N=C2CCOCC2=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101250	0	50	0.0	-41.74	378.70	5.48	-36.26
CN1N=C2CCCC2=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101251	0	49	0.0	-39.34	370.15	7.34	-32.00
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1CCC1	REAL300012101252	0	49	0.0	-37.26	370.47	7.76	-29.50
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCC2)N=C1	REAL300012101253	0	49	0.0	-39.58	371.58	7.66	-31.92
COC(=O)C(C)OC1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101254	0	55	0.0	-43.99	417.65	9.75	-34.24
COC(=O)COC1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101255	0	52	0.0	-43.66	396.72	9.15	-34.51
COC1=CC=C(C)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101256	0	49	0.0	-46.51	367.20	7.57	-38.94
CN1C=NC2=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C21	REAL300012101257	0	48	0.0	-49.85	361.11	8.88	-40.97
CN(C)C(=O)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012101258	0	52	0.0	-43.29	394.54	7.70	-35.59
CC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=C1C	REAL300012101259	0	51	0.0	-33.67	372.92	9.59	-24.08
CCNC(=O)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012101260	0	52	0.0	-45.70	401.37	7.00	-38.70
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(C)(C)C	REAL300012101261	0	54	0.0	-31.46	361.27	10.18	-21.28
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C2CCCCCN12	REAL300012101262	0	52	0.0	-47.74	379.02	8.06	-39.68
COC1=CC=C2SC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC2=C1	REAL300012101263	0	49	0.0	-38.47	390.35	8.70	-29.77
CCN(CC)C(=O)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012101264	0	58	0.0	-42.80	435.10	9.57	-33.23
CCN1CCC2=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C21	REAL300012101265	0	54	0.0	-35.93	402.72	8.49	-27.44
CCN(C)C(=O)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012101266	0	55	0.0	-44.60	418.57	8.79	-35.81
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=NN1C(C)C	REAL300012101267	0	51	0.0	-38.91	386.27	7.65	-31.26
CSC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1Cl	REAL300012101268	0	46	0.0	-40.75	378.64	9.34	-31.41
CC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1C1CC1	REAL300012101269	0	52	0.0	-34.77	389.86	10.49	-24.28
CCOC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=N1	REAL300012101270	0	48	0.0	-38.03	372.36	5.51	-32.52
CC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1C1CC1	REAL300012101271	0	52	0.0	-34.76	389.85	10.50	-24.26
CC1=NN(C2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=C2)C=C1	REAL300012101272	0	55	0.0	-51.44	418.04	10.06	-41.38
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300012101273	0	48	0.0	-38.89	394.62	9.75	-29.14
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101274	0	52	0.0	-38.76	413.73	10.18	-28.58
CCC1=CC(Br)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])S1	REAL300012101275	0	45	0.0	-30.49	375.26	9.07	-21.42
CC1=NN(C2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C2)C=C1Cl	REAL300012101276	0	52	0.0	-40.03	420.33	10.15	-29.88
COC(=O)C1=CC2=C(C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])O2)N1	REAL300012101277	0	49	0.0	-45.51	392.01	6.66	-38.85
COCCOC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])O1	REAL300012101278	0	50	0.0	-39.54	392.65	6.62	-32.92
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC(C)(C)C1=CC=C(Br)C=C1	REAL300012101279	0	51	0.0	-35.32	392.82	10.21	-25.11
CC1=NN(C(C)C)C(C)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101280	0	54	0.0	-38.66	406.92	8.19	-30.47
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NN(CCF)C=C1	REAL300012101281	0	45	0.0	-48.80	353.94	6.38	-42.42
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CC(Br)=C1	REAL300012101282	0	42	0.0	-37.59	361.44	8.99	-28.60
CC1=CC=C(C2=CC=CC=C2C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=C1	REAL300012101283	0	58	0.0	-40.49	433.57	12.17	-28.32
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2CC2)=N1	REAL300012101284	0	49	0.0	-48.85	377.70	7.65	-41.20
COC1=CC=CC(C2=CSC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=N2)=C1	REAL300012101285	0	52	0.0	-47.58	415.65	7.73	-39.85
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1	REAL300012101286	0	62	0.0	-39.45	471.32	8.33	-31.12
COC(=O)C1=C2COCCN2C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101287	0	54	0.0	-40.00	416.90	7.24	-32.76
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300012101288	0	59	0.0	-42.58	436.49	9.78	-32.80
CN1N=C(C2CC2)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101289	0	49	0.0	-50.10	375.27	7.32	-42.78
CC1=CC(N2C=CN=C2)=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101290	0	52	0.0	-40.95	393.55	10.74	-30.21
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=C(Cl)O1	REAL300012101291	0	46	0.0	-38.35	364.79	7.03	-31.32
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300012101292	0	52	0.0	-39.95	395.69	4.33	-35.62
COC1=NC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1F	REAL300012101293	0	45	0.0	-36.78	356.11	4.62	-32.16
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC=C1Br	REAL300012101294	0	42	0.0	-30.11	351.78	8.66	-21.45
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Br)=C1F	REAL300012101295	0	42	0.0	-53.57	353.74	8.38	-45.19
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN2C=CN=C2S1	REAL300012101296	0	42	0.0	-47.77	340.81	7.83	-39.94
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C(C(C)(C)C)O1	REAL300012101297	0	54	0.0	-35.52	407.45	9.43	-26.09
CC1=C(C)SC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=N1	REAL300012101298	0	44	0.0	-44.08	348.55	6.12	-37.96
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(CC2=CC=CC=C2)N=N1	REAL300012101299	1	51	0.0	-47.45	401.57	8.22	-39.23
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1	REAL300012101300	0	62	0.0	-40.54	446.98	8.89	-31.65
CC1=CC(Br)=CN=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101301	0	44	0.0	-32.48	356.82	7.17	-25.31
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1	REAL300012101302	0	48	0.0	-41.20	397.30	5.79	-35.41
CC1OC2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C2C1C	REAL300012101303	0	53	0.0	-37.29	396.80	8.98	-28.31
CC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OC(F)F	REAL300012101304	0	49	0.0	-34.97	382.75	8.20	-26.77
CC1=NC(Cl)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1Br	REAL300012101305	0	44	0.0	-38.37	370.11	7.62	-30.75
CC(C)CC1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101306	0	54	0.0	-43.90	395.31	10.21	-33.69
CN1N=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1S(C)(=O)=O	REAL300012101307	1	48	0.0	-55.05	375.53	3.03	-52.02
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])NN=C1C(F)(F)F	REAL300012101308	0	45	0.0	-41.84	358.94	5.74	-36.10
CC(C)CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])N=N1	REAL300012101309	1	50	0.0	-53.74	382.46	6.52	-47.22
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC(C2CC2)=CS1	REAL300012101310	0	45	0.0	-33.26	359.27	7.09	-26.17
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300012101311	0	42	0.0	-54.50	344.00	5.01	-49.49
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2CCOC2=C1	REAL300012101312	0	47	0.0	-35.95	359.27	7.71	-28.24
CN1C=C(Cl)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=N1	REAL300012101313	1	42	0.0	-34.92	342.86	6.09	-28.83
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(S(C)(=O)=O)SC=C1	REAL300012101314	1	45	0.0	-40.48	359.45	5.75	-34.73
CSC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101315	0	46	0.0	-34.70	363.64	8.89	-25.81
CC(C)C1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])N(C)N=C1	REAL300012101316	0	51	0.0	-38.09	385.56	7.36	-30.73
CC1=C(Br)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C(C)S1	REAL300012101317	0	45	0.0	-44.42	371.70	8.63	-35.79
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300012101318	0	52	0.0	-42.75	401.69	9.06	-33.69
CCCN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=N1	REAL300012101319	0	51	0.0	-37.07	388.85	7.89	-29.18
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=NC=CC=C2O1	REAL300012101320	0	44	0.0	-41.82	346.04	6.59	-35.23
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(CC2CC2)S1	REAL300012101321	0	49	0.0	-45.84	388.15	9.92	-35.92
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300012101322	0	50	0.0	-37.68	383.89	8.85	-28.83
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300012101323	0	46	0.0	-34.28	374.97	7.69	-26.59
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300012101324	0	48	0.0	-36.39	394.62	9.75	-26.64
CC1=NC=CN1C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=C1	REAL300012101325	0	55	0.0	-41.51	417.42	10.84	-30.67
CC1=C(C)N(C2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C2)C=N1	REAL300012101326	0	55	0.0	-42.86	421.15	11.48	-31.38
CNC(=O)C1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101327	0	49	0.0	-38.51	379.90	6.14	-32.37
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300012101328	0	56	0.0	-46.34	417.90	11.70	-34.64
CCNC(=O)C1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101330	0	52	0.0	-38.01	401.38	6.99	-31.02
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300012101331	0	48	0.0	-39.67	378.15	9.10	-30.57
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(C2CCC2)=NN1	REAL300012101332	0	49	0.0	-39.81	370.55	6.77	-33.04
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101333	0	52	0.0	-52.04	403.02	8.80	-43.24
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=CC(C(C)(C)C)=C1	REAL300012101334	0	53	0.0	-49.47	394.34	8.17	-41.30
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300012101335	0	45	0.0	-52.54	365.22	6.74	-45.80
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2	REAL300012101336	0	52	0.0	-37.54	382.80	9.78	-27.76
CN1C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=NC2=C1CCCC2	REAL300012101337	0	52	0.0	-49.99	386.53	8.35	-41.64
COC1=NC(Cl)=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101338	0	45	0.0	-35.58	366.17	5.05	-30.53
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C(F)(F)F)=N1	REAL300012101339	0	45	0.0	-36.36	359.40	6.66	-29.70
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300012101340	0	45	0.0	-46.22	358.79	8.54	-37.68
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1COCC2	REAL300012101341	0	50	0.0	-34.63	369.16	7.83	-26.80
CCOC1=CC=C(Cl)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101342	0	49	0.0	-43.89	389.72	8.47	-35.42
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC2=C(COCC2)S1	REAL300012101343	0	46	0.0	-34.88	362.85	5.20	-29.68
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300012101344	0	49	0.0	-42.40	378.77	7.77	-34.63
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=C(CCCC2)O1	REAL300012101345	0	49	0.0	-46.71	367.22	8.50	-38.21
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC([N+](=O)[O-])=C1	REAL300012101346	0	44	0.0	-46.56	358.03	8.61	-37.95
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300012101347	0	55	0.0	-39.06	408.07	8.91	-30.15
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1	REAL300012101348	0	49	0.0	-36.64	397.24	9.35	-27.29
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(F)C=C(Br)C=C1F	REAL300012101349	0	42	0.0	-33.02	355.34	8.55	-24.47
CN(CCO)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=N1	REAL300012101350	0	53	0.0	-39.38	400.95	5.51	-33.87
COC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=CC=C1C(C)(C)C	REAL300012101351	0	58	0.0	-42.11	419.34	9.58	-32.53
CN1C=C(Br)N=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101352	0	42	0.0	-44.46	344.77	6.74	-37.72
COC1=CC(C)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=N1	REAL300012101353	0	48	0.0	-38.88	365.63	5.20	-33.68
COC1=CC(C)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1O	REAL300012101354	0	50	0.0	-39.70	378.43	5.61	-34.09
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=C(F)C=C2NC1=O	REAL300012101355	0	48	0.0	-57.00	379.69	6.80	-50.20
CN1C(=O)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC2=CC=CC=C21	REAL300012101356	0	51	0.0	-46.45	389.91	8.63	-37.82
COC1=NC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1C	REAL300012101357	0	48	0.0	-39.71	370.71	5.25	-34.46
CC1=CC(C)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=C1Br	REAL300012101358	0	51	0.0	-33.45	392.40	10.01	-23.44
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300012101359	0	49	0.0	-40.33	380.51	7.84	-32.49
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300012101360	0	55	0.0	-34.31	414.53	11.39	-22.92
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012101361	0	52	0.0	-40.22	419.62	8.64	-31.58
CCC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=NN1CC	REAL300012101362	0	51	0.0	-37.87	377.39	7.60	-30.27
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(Cl)=C1F	REAL300012101363	0	42	0.0	-34.94	350.22	8.42	-26.52
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(NC(=O)OC(C)(C)C)=C1	REAL300012101364	0	59	0.0	-39.74	445.06	8.14	-31.60
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NN1C1CC1(F)F	REAL300012101365	0	46	0.0	-43.22	368.06	7.43	-35.79
COC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=CS1	REAL300012101366	0	43	0.0	-31.73	344.98	6.29	-25.44
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C(F)(F)F)=CO1	REAL300012101367	0	45	0.0	-31.41	361.80	7.65	-23.76
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(C)(F)F)=C1	REAL300012101368	0	48	0.0	-36.70	376.63	9.39	-27.31
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300012101369	0	48	0.0	-38.54	386.34	8.65	-29.89
CN1C=C(C2=NNC=C2C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=N1	REAL300012101370	0	49	0.0	-49.88	380.19	5.53	-44.35
CCCN1N=C(C)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1Cl	REAL300012101371	0	51	0.0	-33.62	404.88	8.15	-25.47
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(C)(C)C#N)S1	REAL300012101372	0	48	0.0	-51.87	389.64	7.01	-44.86
COC1=CC=C(Br)C(F)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101373	0	46	0.0	-35.65	377.48	7.87	-27.78
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(F)C=C(C#N)C=C1Br	REAL300012101374	1	43	0.0	-35.16	363.47	8.69	-26.47
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(F)=C1F	REAL300012101375	0	42	0.0	-41.51	340.61	8.06	-33.45
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300012101376	0	49	0.0	-36.84	388.98	10.30	-26.54
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(C(C)(C)C)=NN1	REAL300012101377	0	51	0.0	-50.39	384.92	6.50	-43.89
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300012101378	0	48	0.0	-35.89	380.01	10.47	-25.42
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(Br)=C1F	REAL300012101379	0	42	0.0	-52.50	362.86	8.79	-43.71
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300012101380	0	59	0.0	-30.44	431.37	10.66	-19.78
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300012101381	0	53	0.0	-38.14	429.13	11.23	-26.91
C=CCC1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101382	0	49	0.0	-32.22	366.24	9.61	-22.61
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300012101383	0	62	0.0	-34.56	449.48	11.28	-23.28
COC1=CC=CC(OC2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C2)=C1	REAL300012101384	0	57	0.0	-40.16	441.91	10.03	-30.13
CCN1CCCC2=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C21	REAL300012101385	0	57	0.0	-46.64	411.87	8.81	-37.83
COCC1=CN=C(OC)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101386	0	52	0.0	-38.56	403.27	4.40	-34.16
CN1N=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1Br	REAL300012101387	0	42	0.0	-34.85	346.17	6.07	-28.78
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012101388	0	57	0.0	-39.54	442.77	10.68	-28.86
COC1=C(Br)C=CC(F)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101389	0	46	0.0	-33.80	376.04	7.85	-25.95
COCC1=CC=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101390	0	49	0.0	-35.22	369.40	7.71	-27.51
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300012101391	0	55	0.0	-49.31	431.54	12.35	-36.96
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300012101392	0	46	0.0	-37.19	379.82	9.33	-27.86
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2C(=C1)CCC21OCCO1	REAL300012101393	0	55	0.0	-39.43	416.62	8.54	-30.89
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2CCOCC2=C1	REAL300012101394	0	50	0.0	-48.66	376.66	7.76	-40.90
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])SC2=CC(F)=CC=C12	REAL300012101395	0	48	0.0	-39.13	383.71	9.98	-29.15
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300012101396	0	48	0.0	-43.10	378.03	6.04	-37.06
COC1=CC=C(F)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1OC	REAL300012101397	0	50	0.0	-35.18	387.72	7.17	-28.01
CN1C=CC(C2=NNC=C2C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=N1	REAL300012101398	0	49	0.0	-37.45	367.96	5.93	-31.52
CC1=CC=C(F)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1Br	REAL300012101399	0	45	0.0	-30.45	365.01	8.97	-21.48
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCCC1CCCCC1	REAL300012101400	0	65	0.0	-30.74	470.58	12.00	-18.74
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(OCC2CCC2)=C1	REAL300012101401	0	56	0.0	-34.48	423.00	10.22	-24.26
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(C)(F)F	REAL300012101402	0	48	0.0	-29.86	359.28	9.15	-20.71
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OCCO	REAL300012101403	0	54	0.0	-43.55	415.39	4.91	-38.64
CCN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2CC2)=N1	REAL300012101404	0	52	0.0	-37.08	399.78	8.71	-28.37
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1OCCO	REAL300012101405	0	54	0.0	-42.46	415.39	4.91	-37.55
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2=CC=NN2C)=N1	REAL300012101406	0	52	0.0	-36.99	399.67	6.90	-30.09
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CON=C1C(C)(C)C	REAL300012101407	0	50	0.0	-37.05	363.81	7.70	-29.35
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300012101408	0	47	0.0	-40.55	364.41	8.35	-32.20
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC=C1OCC1CCCO1	REAL300012101409	0	61	0.0	-41.81	461.12	8.49	-33.32
CC1=CC2=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C2O1	REAL300012101410	0	48	0.0	-33.47	372.65	9.02	-24.45
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300012101411	0	45	0.0	-46.84	356.61	8.71	-38.13
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300012101412	0	49	0.0	-34.22	388.95	8.40	-25.82
COC1=CSC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1OC	REAL300012101413	0	47	0.0	-33.28	372.67	6.01	-27.27
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CON=C1C1CCC1	REAL300012101414	0	48	0.0	-39.08	368.11	7.95	-31.13
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1	REAL300012101415	0	51	0.0	-41.31	420.13	9.63	-31.68
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Br)C=CC2=C1OCO2	REAL300012101416	0	45	0.0	-42.45	367.06	6.82	-35.63
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(S(C)(=O)=O)C=CS1	REAL300012101417	1	45	0.0	-37.50	355.18	4.50	-33.00
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(S(C)(=O)=O)=CO1	REAL300012101418	0	45	0.0	-46.75	367.23	3.47	-43.28
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300012101419	0	45	0.0	-35.37	367.73	8.90	-26.47
CC(C)OC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1F	REAL300012101420	0	52	0.0	-41.97	398.74	8.81	-33.16
CCN1C=C(Cl)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=N1	REAL300012101421	1	45	0.0	-44.18	364.04	6.74	-37.44
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(Cl)=C1F	REAL300012101422	0	42	0.0	-53.56	349.48	8.28	-45.28
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)F)=C1	REAL300012101423	0	45	0.0	-35.22	357.58	8.80	-26.42
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(F)C2=CC=CC=C2C=C1	REAL300012101424	0	48	0.0	-44.73	373.58	9.92	-34.81
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(S(C)(=O)=O)=CS1	REAL300012101425	0	45	0.0	-44.15	375.67	4.47	-39.68
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CSC(Cl)=C1	REAL300012101426	0	39	0.0	-37.66	330.44	7.43	-30.23
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=NN1C1CCC1	REAL300012101427	0	52	0.0	-38.98	391.93	8.31	-30.67
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1	REAL300012101428	0	49	0.0	-40.14	398.97	9.60	-30.54
CC1=NN(C2CCCC2)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101429	0	55	0.0	-37.28	411.51	8.95	-28.33
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NN1CC(F)F	REAL300012101430	0	45	0.0	-36.75	355.93	6.53	-30.22
CN(C)C1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101431	0	52	0.0	-39.22	403.26	8.51	-30.71
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300012101432	0	45	0.0	-45.34	364.65	9.09	-36.25
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CC(Br)=C1Cl	REAL300012101433	0	42	0.0	-33.08	362.17	8.87	-24.21
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(F)C=CN=C1Cl	REAL300012101434	1	41	0.0	-34.64	337.95	6.48	-28.16
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300012101435	0	49	0.0	-40.49	388.66	9.15	-31.34
CN(C)C1=CN=CC(F)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101436	0	49	0.0	-33.82	377.27	5.96	-27.86
COC1=NC(C)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=C1Cl	REAL300012101437	0	51	0.0	-50.17	397.14	5.89	-44.28
CC1=NN(C2=CC=CC=C2)N=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101438	1	51	0.0	-49.97	399.17	8.03	-41.94
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NN(C2CCC2)C=C1	REAL300012101439	0	49	0.0	-37.96	371.66	7.55	-30.41
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NN(CC(F)F)C=C1	REAL300012101440	0	45	0.0	-51.47	359.20	6.57	-44.90
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300012101441	0	46	0.0	-51.35	368.86	7.11	-44.24
CC1=NN(C2CCCCC2)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101442	0	58	0.0	-36.17	427.69	9.51	-26.66
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C2CCOCC2)N=C1	REAL300012101443	0	53	0.0	-39.28	398.83	6.52	-32.76
CC1=NN(C2CCOCC2)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101444	0	56	0.0	-36.84	418.41	7.11	-29.73
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300012101445	0	47	0.0	-32.98	384.60	8.99	-23.99
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300012101446	0	52	0.0	-37.51	389.22	8.22	-29.29
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(S(N)(=O)=O)=CS1	REAL300012101447	0	44	0.0	-43.30	369.20	1.87	-41.43
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=NC=C(Cl)C=C1Cl	REAL300012101448	0	41	0.0	-32.89	347.41	6.88	-26.01
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300012101449	0	57	0.0	-46.72	428.18	7.36	-39.36
CC1=NN(C2CCCC2)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101450	0	55	0.0	-36.39	408.70	8.91	-27.48
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(F)F	REAL300012101451	0	45	0.0	-33.49	340.33	8.75	-24.74
CC1=CC(Br)=C(F)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101452	0	45	0.0	-41.07	369.93	9.19	-31.88
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Br)C(Cl)=C1F	REAL300012101453	0	42	0.0	-52.44	363.01	8.80	-43.64
COC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1Br	REAL300012101454	0	46	0.0	-42.78	367.79	7.56	-35.22
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CNN=C2C=C1	REAL300012101455	0	45	0.0	-41.03	349.67	6.59	-34.44
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(Cl)C(F)=C1F	REAL300012101456	0	42	0.0	-53.89	349.91	8.29	-45.60
CN1C=C(C2=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C2)C=N1	REAL300012101457	0	52	0.0	-39.07	403.54	9.16	-29.91
COC1=CC(F)=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1Br	REAL300012101458	0	46	0.0	-48.24	377.33	7.69	-40.55
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300012101459	0	52	0.0	-49.01	409.90	10.29	-38.72
CC1=CC=C(Br)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101460	0	45	0.0	-47.17	359.01	8.90	-38.27
COC1=C(C#N)C=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101461	0	47	0.0	-39.06	371.56	7.57	-31.49
COC1=NC2=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C2S1	REAL300012101462	0	48	0.0	-40.52	387.82	5.69	-34.83
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=NC(Br)=C1	REAL300012101463	0	41	0.0	-39.44	339.76	6.60	-32.84
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(Cl)=C1Cl	REAL300012101464	0	42	0.0	-37.76	356.92	8.88	-28.88
CC1=NC(Cl)=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101465	0	44	0.0	-38.92	350.15	7.11	-31.81
CC(C)(C)COC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101466	0	58	0.0	-34.35	435.21	10.21	-24.14
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC(Cl)=C1F	REAL300012101467	0	42	0.0	-39.51	365.39	9.03	-30.48
COC1=CC(Cl)=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101468	0	46	0.0	-37.24	369.65	7.68	-29.56
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300012101469	0	45	0.0	-49.55	374.47	9.02	-40.53
COC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CC(F)=C1F	REAL300012101470	0	46	0.0	-45.57	365.43	7.30	-38.27
COC1=CC(C)=NC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101471	0	48	0.0	-34.88	368.73	6.07	-28.81
CN1N=CC=C1C1=NNC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101472	0	49	0.0	-37.26	374.79	5.53	-31.73
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2CC2)=NO1	REAL300012101473	0	48	0.0	-49.77	372.32	8.08	-41.69
COC(=O)C1=C(C)NC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1C	REAL300012101474	0	52	0.0	-42.08	406.91	7.56	-34.52
CC(C)OC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])O1	REAL300012101475	0	49	0.0	-38.15	379.33	8.10	-30.05
CC1=CC(Br)=CC(C)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101476	0	48	0.0	-35.04	377.39	9.55	-25.49
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(O)C=CC(F)=C1Br	REAL300012101477	0	43	0.0	-37.58	356.91	5.60	-31.98
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300012101478	0	45	0.0	-42.97	363.02	6.73	-36.24
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(F)=CC(C#N)=C1	REAL300012101479	0	43	0.0	-43.76	350.69	8.32	-35.44
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300012101480	0	58	0.0	-34.26	425.27	11.68	-22.58
COC1=CC=CC=C1C=CC[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101481	0	50	0.0	-35.01	382.83	8.54	-26.47
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])SC(Br)=C1	REAL300012101482	0	42	0.0	-46.96	353.24	8.08	-38.88
CC1=NN(C2CCC2)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101483	0	52	0.0	-36.71	391.23	8.24	-28.47
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=NN1CC(F)F	REAL300012101484	0	48	0.0	-43.05	377.93	7.28	-35.77
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300012101485	0	50	0.0	-41.86	392.60	8.21	-33.65
CCCN1N=C(C)C(Cl)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101486	0	51	0.0	-48.61	405.33	7.94	-40.67
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101487	0	54	0.0	-43.45	421.06	9.95	-33.50
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101488	0	49	0.0	-52.43	386.25	6.93	-45.50
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300012101489	0	55	0.0	-35.80	426.20	12.33	-23.47
CCCCC(=O)NC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012101490	0	58	0.0	-38.41	442.90	9.16	-29.25
COC1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=N1	REAL300012101491	0	48	0.0	-38.56	364.99	5.06	-33.50
CCN(C)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C)=C1	REAL300012101492	0	56	0.0	-33.85	411.49	9.84	-24.01
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=CN=C1Br	REAL300012101493	0	41	0.0	-37.92	350.09	7.04	-30.88
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(Cl)C(Cl)=CS1	REAL300012101494	0	39	0.0	-32.18	344.86	7.92	-24.26
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN(C(C)(C)C)N=C1C(C)(C)C	REAL300012101495	0	63	0.0	-33.79	441.26	9.99	-23.80
COC1=CC(C)=CC(OC)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101496	0	53	0.0	-31.17	401.14	7.25	-23.92
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300012101497	0	46	0.0	-40.68	385.44	8.22	-32.46
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300012101498	0	52	0.0	-52.88	411.52	10.50	-42.38
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C2SC=CC2=C1	REAL300012101499	0	45	0.0	-37.89	360.34	9.24	-28.65
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300012101500	0	51	0.0	-39.49	392.83	9.54	-29.95
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1	REAL300012101501	0	64	0.0	-36.48	482.31	12.78	-23.70
CC1=NSC(C)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101502	0	44	0.0	-49.05	345.64	6.52	-42.53
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C(C(C)(C)C)ON=C1	REAL300012101503	0	50	0.0	-37.05	362.44	7.96	-29.09
CC1=CC=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1C(F)(F)F	REAL300012101504	0	48	0.0	-40.22	365.22	9.17	-31.05
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=NNC=C2C=C1	REAL300012101505	0	45	0.0	-38.95	349.69	6.57	-32.38
CCC(C)C1=CC=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=C1	REAL300012101506	0	54	0.0	-34.30	402.09	10.46	-23.84
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=NC=C(Br)C=C2O1	REAL300012101507	0	44	0.0	-41.38	367.38	7.17	-34.21
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300012101508	0	47	0.0	-38.85	388.47	8.24	-30.61
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=C(CCOC2)N=C1Cl	REAL300012101509	0	49	0.0	-51.02	383.85	6.33	-44.69
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101510	0	55	0.0	-34.39	424.97	10.48	-23.91
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(C)(F)F)=N1	REAL300012101511	0	47	0.0	-41.37	372.52	7.82	-33.55
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC(F)=C1F	REAL300012101512	0	42	0.0	-40.65	355.50	8.60	-32.05
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Cl)=C(Br)C=C1F	REAL300012101513	0	42	0.0	-49.05	363.56	8.80	-40.25
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC2=C1CCCC2	REAL300012101514	0	52	0.0	-44.69	378.45	10.05	-34.64
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300012101515	0	44	0.0	-45.45	372.92	9.16	-36.29
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101516	0	49	0.0	-51.07	382.58	9.55	-41.52
COC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=CC(Br)=C1F	REAL300012101517	0	46	0.0	-47.84	379.33	7.73	-40.11
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC(C(F)(F)F)=C1F	REAL300012101518	0	45	0.0	-35.82	366.92	8.90	-26.92
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300012101519	0	48	0.0	-44.23	375.79	7.78	-36.45
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C=CC2=CC=CC=C21	REAL300012101520	0	51	0.0	-46.67	379.91	10.41	-36.26
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101521	0	60	0.0	-35.77	448.53	9.53	-26.24
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300012101522	0	48	0.0	-36.91	387.96	10.65	-26.26
COC1=C2C=CNC2=CC=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101523	0	50	0.0	-33.07	381.49	7.46	-25.61
CC1=NC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C(C)S1	REAL300012101524	0	44	0.0	-31.42	348.88	6.28	-25.14
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300012101525	0	55	0.0	-37.48	412.43	5.00	-32.48
COC1=CC=C(OC)C(OC)=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101526	0	54	0.0	-35.95	410.55	6.49	-29.46
CCCN1N=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1C	REAL300012101527	0	51	0.0	-38.92	388.00	7.73	-31.19
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300012101528	0	59	0.0	-45.10	434.23	9.55	-35.55
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300012101529	0	56	0.0	-44.36	436.63	11.18	-33.18
CC1=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300012101530	0	50	0.0	-45.20	378.60	8.74	-36.46
CC1=CC(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=CN=C1N1C=CC=N1	REAL300012101531	0	51	0.0	-54.57	394.56	9.01	-45.56
COC(=O)C1=CN(C)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1	REAL300012101532	0	49	0.0	-52.40	384.86	7.79	-44.61
COC1=CC=C(Br)C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])=C1O	REAL300012101533	0	47	0.0	-34.36	376.33	5.45	-28.91
CCCN1N=C(C)C=C1C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-]	REAL300012101534	0	51	0.0	-36.74	384.13	7.74	-29.00
CN1C=C(C[NH2+][C@@H](COC(C)(C)C)CC(=O)[O-])C(C2CCC2)=N1	REAL300012101535	0	52	0.0	-37.28	394.53	8.29	-28.99
CC(C)(C)OC[C@@H](CC(=O)[O-])[NH2+]CC1=CN=C(C(C)(C)C)O1	REAL300012101536	0	50	0.0	-38.64	382.61	5.37	-33.27
CC1=C(C)C2=CC(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)=CC=C2N1	REAL300012101538	0	43	0.0	-58.49	348.98	4.72	-53.77
O=C([O-])C1(C2=NC(CC3=NC4=C(CCCC4)S3)=NO2)C[NH2+]CCO1	REAL300012101543	0	42	0.0	-61.12	347.17	3.80	-57.32
O=C([O-])C1(C2=NC(CC3=CC=C4OCCC4=C3)=NO2)C[NH2+]CCO1	REAL300012101545	0	41	0.0	-57.80	334.53	3.92	-53.88
O=C([O-])C1(C2=NC(C3=CC=CC(C[NH+]4CCCC4)=C3)=NO2)CNCCO1	REAL300012101548	1	48	0.0	-73.28	379.37	5.28	-68.00
O=C([O-])C1CC12CCC(C1=NC(C3=CC=CC(C[NH+]4CCCC4)=C3)=NO1)C2	REAL300012101549	0	52	0.0	-76.24	408.55	11.34	-64.90
CC(C)OC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=N1	REAL300012101550	0	42	0.0	-55.80	345.63	2.06	-53.74
COC1=CC=CC(C(C)C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101552	0	43	0.0	-58.52	344.36	3.79	-54.73
COCCOCCCC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101554	0	43	0.0	-56.70	349.36	1.14	-55.56
COCCOC1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101556	0	44	0.0	-58.72	361.24	3.01	-55.71
CCCOC1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101558	0	43	0.0	-56.43	349.11	4.54	-51.89
CC(C)OC1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101560	0	43	0.0	-56.73	345.52	4.37	-52.36
CC1=CNC(=O)N1C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101562	0	44	0.0	-64.14	368.96	4.39	-59.75
CC1=CNC(=O)N1C1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101564	0	44	0.0	-65.86	368.59	4.36	-61.50
CCC1=NC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CS1	REAL300012101566	0	38	0.0	-58.18	326.48	2.53	-55.65
C=CCNC(=O)C1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101568	0	44	0.0	-60.60	367.01	3.20	-57.40
O=C([O-])C1(C2=NC(C3=CC=CC=C3N3C=CC=N3)=NO2)C[NH2+]CCO1	REAL300012101570	0	40	0.0	-64.25	329.33	4.74	-59.51
O=C([O-])C1(C2=NC(C(F)(F)C3=CC=C(F)C=C3)=NO2)C[NH2+]CCO1	REAL300012101572	0	36	0.0	-58.08	314.33	4.26	-53.82
CN(C)S(=O)(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101574	0	37	0.0	-60.30	315.14	-1.64	-61.94
O=C([O-])C1(C2=NC(C3=CC=C(OC4=CC=CN=C4)C=C3)=NO2)C[NH2+]CCO1	REAL300012101576	0	43	0.0	-57.73	359.82	4.58	-53.15
O=C([O-])C1(C2=NC(CCCN3C=CC=CC3=O)=NO2)C[NH2+]CCO1	REAL300012101578	0	42	0.0	-68.25	345.42	3.93	-64.32
CC1=CC=CN2C=C(CC3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)N=C12	REAL300012101580	0	42	0.0	-59.74	346.71	5.16	-54.58
O=C([O-])C1(C2=NC(COCC3=CC=CC=C3)=NO2)C[NH2+]CCO1	REAL300012101582	0	40	0.0	-55.93	332.65	3.45	-52.48
O=C([O-])C1(C2=NC(C3=CC=C(OCC4CC4)N=C3)=NO2)C[NH2+]CCO1	REAL300012101584	0	43	0.0	-56.12	357.23	2.75	-53.37
CC1=NC=CN1C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=N1	REAL300012101586	0	42	0.0	-60.37	346.76	5.64	-54.73
O=C([O-])C1(C2=NC(C3CC(=O)N(CC4CC4)C3)=NO2)C[NH2+]CCO1	REAL300012101588	0	44	0.0	-59.96	354.92	3.41	-56.55
O=C([O-])C1(C2=NC(C3CC(=O)N(CC4CCC4)C3)=NO2)C[NH2+]CCO1	REAL300012101590	0	47	0.0	-59.80	371.47	3.93	-55.87
O=C([O-])C1(C2=NC(C3=CC=CC(C4=CSC=N4)=C3)=NO2)C[NH2+]CCO1	REAL300012101592	0	39	0.0	-59.33	338.85	4.23	-55.10
CC1=CC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1[N+](=O)[O-]	REAL300012101594	0	41	0.0	-59.43	342.85	5.25	-54.18
C[NH+](C)CCOC1=CC(C2=NOC(C3(C(=O)[O-])CNCCO3)=N2)=CC=N1	REAL300012101596	1	47	0.0	-68.43	379.37	1.23	-67.20
C[NH+](C)CCOC1=CC(C2=NOC(C3CCC4(CC4C(=O)[O-])C3)=N2)=CC=N1	REAL300012101597	0	51	0.0	-72.13	411.36	7.40	-64.73
COC1=CC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1[N+](=O)[O-]	REAL300012101598	0	42	0.0	-62.76	354.17	4.80	-57.96
CC1=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=CC=C1[N+](=O)[O-]	REAL300012101600	0	41	0.0	-64.26	338.61	5.62	-58.64
CCC(C)OC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=N1	REAL300012101602	0	45	0.0	-55.71	366.39	2.86	-52.85
COC1=CC=CC(OC)=C1OCC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101605	0	45	0.0	-60.75	369.50	2.83	-57.92
NC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1[N+](=O)[O-]	REAL300012101607	0	37	0.0	-56.48	316.76	2.27	-54.21
COC1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101609	0	40	0.0	-55.93	327.87	3.38	-52.55
O=C([O-])C1(C2=NC(CC3=C(F)C=CC=C3Cl)=NO2)C[NH2+]CCO1	REAL300012101611	0	36	0.0	-57.30	318.00	4.52	-52.78
COC1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1OC	REAL300012101613	0	44	0.0	-59.63	357.12	3.28	-56.35
O=C([O-])C1(C2=NC(CC3=CC=C(Br)C=C3)=NO2)C[NH2+]CCO1	REAL300012101615	0	36	0.0	-53.88	319.66	4.70	-49.18
O=C([O-])C1(C2=NC(CC3=CC=CC(Cl)=C3)=NO2)C[NH2+]CCO1	REAL300012101617	0	36	0.0	-54.97	315.37	4.58	-50.39
O=C([O-])C1(C2=NC(CC3=CC=C(Cl)C=C3)=NO2)C[NH2+]CCO1	REAL300012101619	0	36	0.0	-54.00	315.09	4.60	-49.40
O=C([O-])C1(C2=NC(CC3=CC=C(F)C=C3)=NO2)C[NH2+]CCO1	REAL300012101621	0	36	0.0	-54.56	304.77	4.15	-50.41
O=C([O-])C1(C2=NC(CC3=CC=C(Cl)C=C3Cl)=NO2)C[NH2+]CCO1	REAL300012101623	0	36	0.0	-54.32	327.89	5.03	-49.29
O=C([O-])C1(C2=NC(CC3=CC=CC=C3F)=NO2)C[NH2+]CCO1	REAL300012101625	0	36	0.0	-59.97	304.10	4.11	-55.86
O=C([O-])C1(C2=NC(CC3=CC=CC(F)=C3)=NO2)C[NH2+]CCO1	REAL300012101627	0	36	0.0	-55.42	305.05	4.14	-51.28
O=C([O-])C1(C2=NC(CC3=CC=CC(C(F)(F)F)=C3)=NO2)C[NH2+]CCO1	REAL300012101629	0	39	0.0	-55.09	337.70	5.08	-50.01
COC1=CC=CC=C1CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101631	0	40	0.0	-57.24	326.67	3.45	-53.79
COC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC(OC)=C1OC	REAL300012101633	0	45	0.0	-58.08	368.37	2.67	-55.41
O=C([O-])C1(C2=NC(C3=CC=C([N+](=O)[O-])C=C3)=NO2)C[NH2+]CCO1	REAL300012101635	0	35	0.0	-56.40	304.74	4.19	-52.21
O=C([O-])C1(C2=NC(C3=CC=C(Cl)C=C3)=NO2)C[NH2+]CCO1	REAL300012101637	0	33	0.0	-54.66	293.28	4.04	-50.62
O=C([O-])C1(C2=NC(C3=CC=CC(C(F)(F)F)=C3)=NO2)C[NH2+]CCO1	REAL300012101639	0	36	0.0	-54.77	314.99	4.50	-50.27
O=C([O-])C1(C2=NC(C(C3=CC=CC=C3)C3=CC=CC=C3)=NO2)C[NH2+]CCO1	REAL300012101641	0	46	0.0	-56.74	366.36	7.41	-49.33
O=C([O-])C1(C2=NC(C3=CC=CC=C3Cl)=NO2)C[NH2+]CCO1	REAL300012101643	0	33	0.0	-56.19	288.70	4.19	-52.00
O=C([O-])C1(C2=NC(CC3=CC=CC=C3[N+](=O)[O-])=NO2)C[NH2+]CCO1	REAL300012101645	0	38	0.0	-56.73	317.10	4.65	-52.08
CC1=CC=C(S(=O)(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101647	0	42	0.0	-67.72	359.03	1.75	-65.97
CS(=O)(=O)NC1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101649	0	41	0.0	-63.68	353.52	0.14	-63.54
O=C([O-])C1(C2=NC(C3=CC=C(C(=O)NC4CC4)C=C3)=NO2)C[NH2+]CCO1	REAL300012101651	0	44	0.0	-58.37	364.53	3.53	-54.84
CS(=O)(=O)NC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101653	0	41	0.0	-61.86	353.28	0.14	-61.72
NC(=O)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101655	0	37	0.0	-59.10	311.00	0.31	-58.79
CN(C)C(=O)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101657	0	43	0.0	-59.46	345.78	3.22	-56.24
COC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=N1	REAL300012101659	0	36	0.0	-55.93	303.64	0.21	-55.72
O=C([O-])C1(C2=NC(C3=CC=C(CN4C=CC=N4)C=C3)=NO2)C[NH2+]CCO1	REAL300012101661	0	43	0.0	-60.73	360.32	5.17	-55.56
O=C([O-])C1(C2=NC(C3=CC=NC(N4C=CC=N4)=C3)=NO2)C[NH2+]CCO1	REAL300012101663	0	39	0.0	-58.46	332.15	4.01	-54.45
CC(C)OCCCC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101666	0	42	0.0	-54.91	336.01	2.62	-52.29
CC(=O)N1CCCC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C1	REAL300012101668	0	43	0.0	-58.36	335.62	2.19	-56.17
CC1=CC([N+](=O)[O-])=C(C)C=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101670	0	41	0.0	-56.54	338.45	5.68	-50.86
COC1=NC2=CC=CC=C2C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101672	0	42	0.0	-59.75	344.21	2.58	-57.17
CC1=NC2=CC=C(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)C=C2S1	REAL300012101674	0	38	0.0	-57.58	329.34	3.62	-53.96
CCC1=CN=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101677	0	38	0.0	-56.75	307.01	3.40	-53.35
CN(C)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)N=C1	REAL300012101679	0	40	0.0	-62.69	323.28	1.99	-60.70
O=C([O-])C1(C2=NC(C3=CC=C4CCCCC4=N3)=NO2)C[NH2+]CCO1	REAL300012101681	0	42	0.0	-62.69	334.60	4.08	-58.61
O=C([O-])C1(C2=NC(CN3C=C(Br)C=N3)=NO2)C[NH2+]CCO1	REAL300012101683	0	33	0.0	-59.56	301.31	1.94	-57.62
CC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1N1C=NC=N1	REAL300012101685	0	42	0.0	-57.89	350.52	7.06	-50.83
CN(C)C(=O)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=N1	REAL300012101687	0	42	0.0	-57.41	345.19	2.63	-54.78
O=C([O-])C1(C2=NC(C3CCC4=CC=CC=C4C3)=NO2)C[NH2+]CCO1	REAL300012101689	0	43	0.0	-56.03	339.12	5.55	-50.48
O=C([O-])C1(C2=NC(CC3=CN=C4NC=CC=C34)=NO2)C[NH2+]CCO1	REAL300012101691	0	39	0.0	-72.47	324.96	3.37	-69.10
O=C([O-])C1(C2=NC(CSCC3=CC=CC=C3)=NO2)C[NH2+]CCO1	REAL300012101693	0	40	0.0	-55.29	343.31	5.43	-49.86
CC1=CC=CC=C1OCC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101695	0	40	0.0	-55.92	327.18	3.73	-52.19
CN(C)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1F	REAL300012101698	0	41	0.0	-58.40	337.07	3.07	-55.33
COCCOC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1F	REAL300012101700	0	44	0.0	-62.36	367.42	3.10	-59.26
O=C([O-])C1(C2=NC(C3=CC=NC(OC4CCC4)=C3)=NO2)C[NH2+]CCO1	REAL300012101702	0	43	0.0	-55.68	351.74	2.70	-52.98
CC(CNC(=O)C1=CC=CC=C1)C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101704	0	46	0.0	-63.35	374.07	3.09	-60.26
O=C([O-])C1(C2=NC(C3=CC(OC4CCC4)=CC=N3)=NO2)C[NH2+]CCO1	REAL300012101706	0	43	0.0	-61.09	349.59	3.25	-57.84
CSC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(Cl)=C1	REAL300012101708	0	37	0.0	-56.61	328.96	5.68	-50.93
COC1=CC=CC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=N1	REAL300012101710	0	39	0.0	-59.69	325.29	0.74	-58.95
COCCOC1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101712	0	47	0.0	-58.17	383.35	3.58	-54.59
COCCOC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=N1	REAL300012101714	0	43	0.0	-57.96	359.17	0.43	-57.53
CC1=CC=CC=C1C(C)C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101716	0	42	0.0	-56.04	332.48	4.98	-51.06
COC1=CC=C2C(=C1)CCCC2C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101718	0	47	0.0	-56.07	366.71	4.41	-51.66
O=C([O-])C1(C2=NC(C3CCCCCCC3)=NO2)C[NH2+]CCO1	REAL300012101720	0	45	0.0	-54.91	323.12	4.21	-50.70
CCS(=O)(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101722	0	35	0.0	-62.98	302.31	-1.28	-64.26
O=C([O-])C1(C2=NC(C3CN4CCCC4CO3)=NO2)C[NH2+]CCO1	REAL300012101724	0	43	0.0	-56.83	332.28	-0.06	-56.89
O=C([O-])C1CC12CCC(C1=NC(C3C[N@@H+]4CCCC4CO3)=NO1)C2	REAL300012101725	1	47	0.0	-63.32	352.56	7.35	-55.97
O=C([O-])C1CC12CCC(C1=NC(C3C[N@H+]4CCCC4CO3)=NO1)C2	REAL300012101725	1	47	0.0	-68.66	362.14	6.99	-61.67
COC(C)C1=NC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CS1	REAL300012101726	0	42	0.0	-57.29	358.92	1.52	-55.77
O=C([O-])C1(C2=NC(C3=CN=C(OC4=CC=CC=C4)C=N3)=NO2)C[NH2+]CCO1	REAL300012101728	0	42	0.0	-60.63	358.20	1.85	-58.78
COC(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=CC=C1Cl	REAL300012101730	0	40	0.0	-57.44	344.19	3.54	-53.90
O=C([O-])C1(C2=NC(C3CCCCS3)=NO2)C[NH2+]CCO1	REAL300012101732	0	37	0.0	-54.29	301.20	3.27	-51.02
CN(C)C1=NC2=CC(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)=CC=C2O1	REAL300012101734	0	43	0.0	-58.84	356.15	2.07	-56.77
CC(C)(C)SC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)N=C1	REAL300012101736	0	45	0.0	-60.52	372.70	4.63	-55.89
CC(C)(C)NC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)N=C1	REAL300012101738	0	46	0.0	-62.12	357.95	2.01	-60.11
O=C([O-])C1(C2=NC(C3=CC=CN=C3OCC(F)F)=NO2)C[NH2+]CCO1	REAL300012101740	0	39	0.0	-59.99	336.14	1.77	-58.22
O=C([O-])C1(C2=NC(C3=CC=NC(OCC(F)F)=C3)=NO2)C[NH2+]CCO1	REAL300012101742	0	39	0.0	-58.51	338.50	1.46	-57.05
O=C([O-])C1(C2=NC(C3=CC=C(OCC(F)F)N=C3)=NO2)C[NH2+]CCO1	REAL300012101744	0	39	0.0	-58.25	338.56	1.48	-56.77
O=C([O-])C1(C2=NC(C3=CC=CC(OCC(F)F)=N3)=NO2)C[NH2+]CCO1	REAL300012101746	0	39	0.0	-62.26	338.68	1.38	-60.88
CN1N=C(C2=CC=CC=C2)N=C1CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101748	0	45	0.0	-67.86	375.01	5.15	-62.71
O=C([O-])C1(C2=NC(CC3=CC=CC=C3Cl)=NO2)C[NH2+]CCO1	REAL300012101750	0	36	0.0	-57.69	312.61	4.54	-53.15
O=C([O-])C1(C2=NC(CC3=C(Cl)C=CC=C3Cl)=NO2)C[NH2+]CCO1	REAL300012101752	0	36	0.0	-55.96	326.72	4.93	-51.03
COC1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101754	0	37	0.0	-56.99	305.76	2.81	-54.18
COC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101756	0	37	0.0	-56.18	306.00	2.83	-53.35
O=C([O-])C1(C2=NC(C3=CC=C(Br)C=C3)=NO2)C[NH2+]CCO1	REAL300012101758	0	33	0.0	-54.56	297.84	4.14	-50.42
CC(C)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101761	0	42	0.0	-55.83	336.72	5.44	-50.39
O=C([O-])C1(C2=NC(CCC3=CC=CC=C3)=NO2)C[NH2+]CCO1	REAL300012101763	0	39	0.0	-55.48	319.86	4.86	-50.62
CC(C)C(=O)NC1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101765	0	46	0.0	-61.55	372.28	3.88	-57.67
O=C([O-])C1(C2=NC(C3=CC=C(CN4C=NC=N4)C=C3)=NO2)C[NH2+]CCO1	REAL300012101767	0	42	0.0	-63.20	355.08	6.61	-56.59
COCC(=O)NC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101769	0	44	0.0	-63.71	365.89	2.51	-61.20
O=C([O-])C1(C2=NC(CC3=COC(C4=CC=CS4)=N3)=NO2)C[NH2+]CCO1	REAL300012101771	0	39	0.0	-57.64	345.99	1.43	-56.21
O=C([O-])C1(C2=NC(C3=CC=CC=C3CN3C=CC=N3)=NO2)C[NH2+]CCO1	REAL300012101773	0	43	0.0	-59.31	350.58	5.58	-53.73
O=C([O-])C1(C2=NC(C3CCCC4=CC=CC=C43)=NO2)C[NH2+]CCO1	REAL300012101775	0	43	0.0	-55.26	337.14	5.11	-50.15
O=C([O-])C1(C2=NC(C3=CC(Cl)=CC(Cl)=C3)=NO2)C[NH2+]CCO1	REAL300012101777	0	33	0.0	-54.10	309.76	4.52	-49.58
O=C([O-])C1(C2=NC(C3=CC=C(C(F)(F)F)C=C3)=NO2)C[NH2+]CCO1	REAL300012101779	0	36	0.0	-54.92	315.25	4.52	-50.40
O=C([O-])C1(C2=NC(C3=CC=C(C4=CC=CC=C4)C=C3)=NO2)C[NH2+]CCO1	REAL300012101781	0	43	0.0	-56.98	350.67	6.93	-50.05
O=C([O-])C1(C2=NC(CC3=CC=CC=C3Br)=NO2)C[NH2+]CCO1	REAL300012101783	0	36	0.0	-57.14	315.65	4.74	-52.40
O=C([O-])C1(C2=NC(CC3=CC=CC(Br)=C3)=NO2)C[NH2+]CCO1	REAL300012101785	0	36	0.0	-54.88	319.94	4.68	-50.20
CCOC1=CC=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101787	0	40	0.0	-58.42	325.43	4.03	-54.39
O=C([O-])C1(C2=NC(CC3=C(F)C=CC=C3F)=NO2)C[NH2+]CCO1	REAL300012101789	0	36	0.0	-58.23	309.24	4.13	-54.10
CCC1=CC=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101791	0	39	0.0	-57.07	311.11	5.20	-51.87
O=C([O-])C1(C2=NC(C3=CC=C(OC(F)(F)F)C=C3)=NO2)C[NH2+]CCO1	REAL300012101793	0	37	0.0	-55.15	322.49	3.32	-51.83
CC1=CC=CC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101795	0	39	0.0	-56.42	320.05	4.73	-51.69
CC1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101797	0	39	0.0	-54.88	319.77	4.76	-50.12
O=C([O-])C1(C2=NC(CC3=CC=CC4=CC=CC=C43)=NO2)C[NH2+]CCO1	REAL300012101799	0	42	0.0	-58.14	340.84	6.26	-51.88
CC1=CC=C(C)C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101801	0	42	0.0	-55.96	334.46	5.68	-50.28
O=C([O-])C1(C2=NC(C3=CC=C4NC=CC4=C3)=NO2)C[NH2+]CCO1	REAL300012101803	0	37	0.0	-58.81	307.61	3.55	-55.26
O=C([O-])C1(C2=NC(C3=CC=CC4=CC=CC=C43)=NO2)C[NH2+]CCO1	REAL300012101805	0	39	0.0	-59.12	319.44	5.51	-53.61
CC(C)(C)C1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101807	0	48	0.0	-54.38	374.57	6.40	-47.98
O=C([O-])C1(C2=NC(C3=CN=CC(Br)=C3)=NO2)C[NH2+]CCO1	REAL300012101810	0	32	0.0	-54.84	292.59	2.33	-52.51
O=C([O-])C1(C2=NC(C3=CC=CC=C3OC(F)(F)F)=NO2)C[NH2+]CCO1	REAL300012101812	0	37	0.0	-55.71	320.10	3.60	-52.11
O=C([O-])C1(C2=NC(C3=CC=CC=C3OC(F)F)=NO2)C[NH2+]CCO1	REAL300012101814	0	37	0.0	-59.01	313.33	3.38	-55.63
CC(C)C1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101816	0	45	0.0	-54.51	358.59	6.01	-48.50
CC1=CC(C)=CC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101818	0	42	0.0	-56.63	341.46	5.39	-51.24
CC1=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C2=CC=CC=C2N1	REAL300012101820	0	43	0.0	-61.14	349.72	4.64	-56.50
COC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1C	REAL300012101822	0	40	0.0	-56.51	325.78	3.57	-52.94
O=C([O-])C1(C2=NC(CC3=NNC(C4=CC=CC=C4)=N3)=NO2)C[NH2+]CCO1	REAL300012101824	0	42	0.0	-62.56	352.94	3.94	-58.62
NC(=O)CN1C=NC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=N1	REAL300012101826	0	36	0.0	-76.64	311.83	-1.05	-77.69
CC1=CC=CC(OCCCC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1C	REAL300012101828	0	49	0.0	-56.58	387.17	5.74	-50.84
COC(=O)N(CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1CC1	REAL300012101830	0	41	0.0	-64.09	333.96	2.21	-61.88
CSCC1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101832	0	40	0.0	-57.79	342.41	5.39	-52.40
O=C([O-])C1(C2=NC(C3CC4=CC=CC=C4C3)=NO2)C[NH2+]CCO1	REAL300012101834	0	40	0.0	-55.55	320.97	4.99	-50.56
O=C([O-])C1(C2=NC(CC3=CC=C(Cl)S3)=NO2)C[NH2+]CCO1	REAL300012101836	0	33	0.0	-54.95	305.91	3.78	-51.17
O=C([O-])C1(C2=NC(CCNC3=CC=CC=C3[N+](=O)[O-])=NO2)C[NH2+]CCO1	REAL300012101838	0	43	0.0	-62.05	356.65	3.91	-58.14
CC1=CC(F)=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101840	0	36	0.0	-55.44	298.01	4.46	-50.98
CC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1Br	REAL300012101842	0	36	0.0	-54.73	315.73	4.70	-50.03
O=C([O-])C1(C2=NC(C3=CC=C(OC4CCCC4)N=C3)=NO2)C[NH2+]CCO1	REAL300012101844	0	46	0.0	-56.12	369.51	3.39	-52.73
O=C([O-])C1(C2=NC(C3=CC=CC4=CN=CC=C43)=NO2)C[NH2+]CCO1	REAL300012101846	0	38	0.0	-58.58	311.83	4.21	-54.37
O=C([O-])C1(C2=NC(CC3=NC4=CC(F)=CC=C4S3)=NO2)C[NH2+]CCO1	REAL300012101849	0	38	0.0	-62.90	336.80	3.57	-59.33
O=C([O-])C1(C2=NC(C3=CC=NC(N4C=CN=C4)=C3)=NO2)C[NH2+]CCO1	REAL300012101851	0	39	0.0	-58.21	329.63	5.16	-53.05
C[NH+](C)CCOC1=CC=CC(C2=NOC(C3(C(=O)[O-])CNCCO3)=N2)=C1	REAL300012101853	1	48	0.0	-75.26	381.50	3.83	-71.43
C[NH+](C)CCOC1=CC=CC(C2=NOC(C3CCC4(CC4C(=O)[O-])C3)=N2)=C1	REAL300012101854	0	52	0.0	-77.24	411.15	9.94	-67.30
NC(=O)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=N1	REAL300012101855	0	36	0.0	-57.25	308.43	-1.43	-58.68
O=C([O-])C1(C2=NC(C3CCOC4=CC=CC=C43)=NO2)C[NH2+]CCO1	REAL300012101857	0	41	0.0	-55.93	328.25	3.29	-52.64
O=C([O-])C1(C2=NC(C3CCC4=CC=CC=C43)=NO2)C[NH2+]CCO1	REAL300012101859	0	40	0.0	-54.98	321.94	4.94	-50.04
CC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(Br)=C1	REAL300012101861	0	36	0.0	-57.05	313.88	5.59	-51.46
CC1=CC([N+](=O)[O-])=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101863	0	38	0.0	-56.80	319.79	5.06	-51.74
C[NH+](C)CCOC1=CC=CC=C1C1=NOC(C2(C(=O)[O-])CNCCO2)=N1	REAL300012101865	1	48	0.0	-68.49	382.21	4.28	-64.21
C[NH+](C)CCOC1=CC=CC=C1C1=NOC(C2CCC3(CC3C(=O)[O-])C2)=N1	REAL300012101866	0	52	0.0	-71.17	411.40	10.33	-60.84
O=C([O-])C1(C2=NC(C3=CC=C(N4CCCC4)C=N3)=NO2)C[NH2+]CCO1	REAL300012101868	0	44	0.0	-60.82	349.64	2.12	-58.70
CCC(C)OC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101870	0	46	0.0	-56.31	366.54	5.18	-51.13
CC1=CC(F)=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101872	0	36	0.0	-57.70	304.09	4.25	-53.45
O=C([O-])C1(C2=NC(C3=CC(F)=CC(F)=C3)=NO2)C[NH2+]CCO1	REAL300012101874	0	33	0.0	-54.58	289.12	3.65	-50.93
O=C([O-])C1(C2=NC(CC3=CC=CC=C3OC(F)F)=NO2)C[NH2+]CCO1	REAL300012101876	0	40	0.0	-59.29	336.71	3.72	-55.57
O=C([O-])C1(C2=NC(C3=CC=C4OCCC4=C3)=NO2)C[NH2+]CCO1	REAL300012101879	0	38	0.0	-57.19	312.21	3.37	-53.82
O=C([O-])C1(C2=NC(C3=CC=C(C4=NNC=C4)C=C3)=NO2)C[NH2+]CCO1	REAL300012101882	0	40	0.0	-59.04	335.33	3.55	-55.49
COC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1F	REAL300012101884	0	37	0.0	-56.40	311.98	2.90	-53.50
O=C([O-])C1(C2=NC(CC3=CC=CC(Cl)=C3F)=NO2)C[NH2+]CCO1	REAL300012101886	0	36	0.0	-55.45	320.39	4.61	-50.84
CC1=CC=C(F)C=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101888	0	36	0.0	-58.60	298.02	4.46	-54.14
O=C([O-])C1(C2=NC(COC3=CC=C(Cl)C=C3)=NO2)C[NH2+]CCO1	REAL300012101890	0	37	0.0	-55.23	323.82	3.49	-51.74
O=C([O-])C1(C2=NC(C3=CC4=CC=CC=C4N=C3)=NO2)C[NH2+]CCO1	REAL300012101892	0	38	0.0	-59.63	317.61	3.89	-55.74
CCCCCCCCCCCC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101894	0	56	0.0	-54.82	431.94	8.09	-46.73
O=C([O-])C1(C2=NC(C3=CC=C(C(F)(F)F)C(F)=C3)=NO2)C[NH2+]CCO1	REAL300012101896	0	36	0.0	-54.02	320.54	4.57	-49.45
O=C([O-])C1(C2=NC(C3CCS(=O)(=O)C3)=NO2)C[NH2+]CCO1	REAL300012101898	0	36	0.0	-61.46	302.67	-1.17	-62.63
O=C([O-])C1(C2=NC(CC3=NC4=CC=CC=C4C=C3)=NO2)C[NH2+]CCO1	REAL300012101900	0	41	0.0	-61.50	339.39	4.37	-57.13
O=C([O-])C1(C2=NC(CC3=CC=C(F)C=C3Cl)=NO2)C[NH2+]CCO1	REAL300012101902	0	36	0.0	-54.65	317.54	4.59	-50.06
O=C([O-])C1(C2=NC(CC3=CC=C(F)C=C3F)=NO2)C[NH2+]CCO1	REAL300012101904	0	36	0.0	-55.03	310.61	4.18	-50.85
O=C([O-])C1(C2=NC(C3=CC(F)=CC=C3C(F)(F)F)=NO2)C[NH2+]CCO1	REAL300012101907	0	36	0.0	-56.07	312.43	4.90	-51.17
CC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1[N+](=O)[O-]	REAL300012101909	0	38	0.0	-56.07	320.43	4.69	-51.38
O=C([O-])C1(C2=NC(C3=CC=CC(Br)=C3)=NO2)C[NH2+]CCO1	REAL300012101911	0	33	0.0	-57.18	297.57	4.13	-53.05
O=C([O-])C1(C2=NC(C3=CC=C4OCOC4=C3)=NO2)C[NH2+]CCO1	REAL300012101913	0	36	0.0	-56.39	302.33	2.19	-54.20
O=C([O-])C1(C2=NC(CC3=CC(F)=CC(F)=C3)=NO2)C[NH2+]CCO1	REAL300012101915	0	36	0.0	-56.64	311.47	4.20	-52.44
COC1=CC=CC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101917	0	40	0.0	-56.98	328.15	3.37	-53.61
C[NH+](C)CCOC1=CC=C(C2=NOC(C3(C(=O)[O-])CNCCO3)=N2)C=C1	REAL300012101919	1	48	0.0	-74.42	381.46	3.84	-70.58
C[NH+](C)CCOC1=CC=C(C2=NOC(C3CCC4(CC4C(=O)[O-])C3)=N2)C=C1	REAL300012101920	0	52	0.0	-77.76	414.40	10.06	-67.70
O=C([O-])C1(C2=NC(C3=CC=CC=C3NC(=O)C3CC3)=NO2)C[NH2+]CCO1	REAL300012101921	0	44	0.0	-58.91	357.74	4.58	-54.33
O=C([O-])C1(C2=NC(C3=CC=CC(CN4C=CN=C4)=C3)=NO2)C[NH2+]CCO1	REAL300012101923	0	43	0.0	-63.27	359.56	6.77	-56.50
COC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1C	REAL300012101925	0	40	0.0	-56.74	325.81	3.58	-53.16
O=C([O-])C1(C2=NC(C3=CC=CC(OC4=CC=CC=C4)=C3)=NO2)C[NH2+]CCO1	REAL300012101927	0	44	0.0	-57.00	364.96	6.36	-50.64
O=C([O-])C1(C2=NC(COC3=CC=C(F)C=C3)=NO2)C[NH2+]CCO1	REAL300012101929	0	37	0.0	-55.73	313.50	3.04	-52.69
CNC(=O)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101931	0	40	0.0	-59.14	332.93	1.81	-57.33
CCC(=O)NC1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101933	0	43	0.0	-62.02	352.95	3.23	-58.79
O=C([O-])C1(C2=NC(C3=C4C=CNC4=CC=C3)=NO2)C[NH2+]CCO1	REAL300012101935	0	37	0.0	-60.52	305.46	3.64	-56.88
O=C([O-])C1(C2=NC(C3=CC(OCC(F)F)=CC=N3)=NO2)C[NH2+]CCO1	REAL300012101937	0	39	0.0	-65.71	336.23	2.18	-63.53
O=C([O-])C1(C2=NC(C3=CC(C4CC4)=CC=N3)=NO2)C[NH2+]CCO1	REAL300012101939	0	39	0.0	-61.14	321.10	3.72	-57.42
O=C([O-])C1(C2=NC(C3=CC=C(Cl)C(Cl)=C3)=NO2)C[NH2+]CCO1	REAL300012101941	0	33	0.0	-53.59	308.17	4.48	-49.11
O=C([O-])C1(C2=NC(C3=CC=CC=C3C(F)(F)F)=NO2)C[NH2+]CCO1	REAL300012101943	0	36	0.0	-56.43	306.03	4.83	-51.60
O=C([O-])C1(C2=NC(C3=CC=CC(Cl)=C3)=NO2)C[NH2+]CCO1	REAL300012101947	0	33	0.0	-57.29	293.01	4.02	-53.27
COC1=CC=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101949	0	37	0.0	-58.68	303.60	3.10	-55.58
COC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1OC(C)C	REAL300012101951	0	47	0.0	-57.61	374.70	4.28	-53.33
COC1=CC=C(OC)C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012101953	0	41	0.0	-61.29	333.04	2.40	-58.89
CCCOC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1OC	REAL300012101955	0	47	0.0	-57.47	378.29	4.46	-53.01
CC1=CC=C(C2=NOC(CC3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)=N2)C=C1	REAL300012101957	0	44	0.0	-63.34	370.94	3.39	-59.95
COC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1OC	REAL300012101959	0	41	0.0	-58.02	334.94	2.74	-55.28
CC1=CC=CC=C1CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101961	0	39	0.0	-55.79	313.00	5.02	-50.77
O=C([O-])C1(C2=NC(C3=CC=CC([N+](=O)[O-])=C3)=NO2)C[NH2+]CCO1	REAL300012101963	0	35	0.0	-56.28	304.48	4.18	-52.10
COC1=CC(OC)=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1OC	REAL300012101965	0	45	0.0	-60.21	362.18	2.33	-57.88
COC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1OC(F)F	REAL300012101967	0	41	0.0	-59.69	344.70	3.02	-56.67
O=C([O-])C1(C2=NC(C3=CC(Cl)=C4OCCOC4=C3)=NO2)C[NH2+]CCO1	REAL300012101969	0	39	0.0	-57.99	336.73	3.22	-54.77
O=C([O-])C1(C2=NC(CC3=CC=C(OC(F)F)C=C3)=NO2)C[NH2+]CCO1	REAL300012101971	0	40	0.0	-56.32	337.62	3.66	-52.66
CCC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012101973	0	39	0.0	-56.07	319.44	4.96	-51.11
C[NH+](C)CC1=CC=C(C2=NOC(C3(C(=O)[O-])CNCCO3)=N2)C=C1	REAL300012101975	1	44	0.0	-76.69	351.62	4.06	-72.63
C[NH+](C)CC1=CC=C(C2=NOC(C3CCC4(CC4C(=O)[O-])C3)=N2)C=C1	REAL300012101976	0	48	0.0	-79.18	384.54	10.28	-68.90
COC1=CC=C(C)C=C1CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101977	0	43	0.0	-57.74	348.37	4.10	-53.64
O=C([O-])C1(C2=NC(C3=CC=C(C[NH+]4CCCC4)C=C3)=NO2)CNCCO1	REAL300012101979	1	48	0.0	-75.02	376.44	5.21	-69.81
O=C([O-])C1CC12CCC(C1=NC(C3=CC=C(C[NH+]4CCCC4)C=C3)=NO1)C2	REAL300012101980	0	52	0.0	-77.32	408.52	11.41	-65.91
COC1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1F	REAL300012101981	0	40	0.0	-61.97	334.37	3.44	-58.53
CC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1Br	REAL300012101983	0	36	0.0	-55.05	315.73	4.70	-50.35
CC1=NC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CS1	REAL300012101985	0	35	0.0	-58.09	304.97	1.77	-56.32
O=C([O-])C1(C2=NC(C3=CC=C(N4CCCC4=O)C=C3)=NO2)C[NH2+]CCO1	REAL300012101987	0	44	0.0	-65.15	354.26	4.65	-60.50
CC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1F	REAL300012101989	0	36	0.0	-54.94	302.98	4.22	-50.72
CC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1F	REAL300012101991	0	36	0.0	-55.15	302.97	4.22	-50.93
COC1=CC=C(Cl)C=C1CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012101993	0	40	0.0	-55.93	343.69	3.95	-51.98
O=C([O-])C1(C2=NC(CC3=CC=C(Cl)C(Cl)=C3)=NO2)C[NH2+]CCO1	REAL300012101995	0	36	0.0	-57.85	330.56	5.04	-52.81
O=C([O-])C1(C2=NC(CSC3=CC=C(Cl)C=C3)=NO2)C[NH2+]CCO1	REAL300012101997	0	37	0.0	-54.69	334.14	5.04	-49.65
COC1=CC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1C	REAL300012102001	0	43	0.0	-58.09	347.95	4.12	-53.97
CC(=O)NC1(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)CCCCC1	REAL300012102003	0	46	0.0	-63.01	346.94	2.96	-60.05
COC1=CC2=CC=C(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)N=C2C=C1	REAL300012102005	0	42	0.0	-63.32	347.25	3.08	-60.24
O=C([O-])C1(C2=NC(CC3=CC=CC4=CC=CN=C43)=NO2)C[NH2+]CCO1	REAL300012102007	0	41	0.0	-58.85	338.38	4.61	-54.24
O=C([O-])C1(C2=NC(C3=CC=C4OCCOC4=C3)=NO2)C[NH2+]CCO1	REAL300012102009	0	39	0.0	-57.28	321.05	2.68	-54.60
O=C([O-])C1(C2=NC(C3=CC(N4CCCC4=O)=CC=C3)=NO2)C[NH2+]CCO1	REAL300012102011	0	44	0.0	-64.11	353.57	4.64	-59.47
NC(=O)C1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102013	0	37	0.0	-61.60	310.78	0.30	-61.30
CN(C)C(=O)C1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102015	0	43	0.0	-63.07	345.56	3.20	-59.87
CC(C)OC1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102017	0	46	0.0	-54.87	367.64	4.93	-49.94
CC(C)OC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102019	0	43	0.0	-56.42	345.77	4.37	-52.05
CN(C)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=N1	REAL300012102021	0	40	0.0	-58.37	325.23	3.36	-55.01
O=C([O-])C1(C2=NC(C3=CC=CN=C3OC3CCCC3)=NO2)C[NH2+]CCO1	REAL300012102023	0	46	0.0	-57.32	367.37	3.66	-53.66
COC1=NC=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102025	0	36	0.0	-57.82	301.28	0.51	-57.31
CCOC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=N1	REAL300012102027	0	39	0.0	-56.34	325.55	1.16	-55.18
CCOC1=NC=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102029	0	39	0.0	-57.69	323.13	1.45	-56.24
COCC1=CC=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102031	0	40	0.0	-56.62	324.35	3.62	-53.00
COCC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102033	0	40	0.0	-57.41	331.62	3.25	-54.16
COCC1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102035	0	40	0.0	-57.69	331.35	3.23	-54.46
CCOCC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102037	0	43	0.0	-57.33	353.47	4.22	-53.11
CC(C)COC1=CC=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102039	0	46	0.0	-57.90	367.03	5.52	-52.38
O=C([O-])C1(C2=NC(C3=CC=CN=C3N3C=CC=N3)=NO2)C[NH2+]CCO1	REAL300012102041	0	39	0.0	-62.44	328.65	4.49	-57.95
O=C([O-])C1(C2=NC(C3=CC=CN=C3N3C=CN=C3)=NO2)C[NH2+]CCO1	REAL300012102043	0	39	0.0	-59.62	324.07	5.41	-54.21
CNS(=O)(=O)C1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102045	0	41	0.0	-59.73	352.87	-0.32	-60.05
CNS(=O)(=O)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102047	0	41	0.0	-61.76	352.83	-0.31	-62.07
O=C([O-])C1(C2=NC(COC3=CC4=CC=CC=C4C=C3)=NO2)C[NH2+]CCO1	REAL300012102049	0	43	0.0	-61.58	352.85	5.26	-56.32
O=C([O-])C1(C2=NC(C3=CC=C(N4CCOCC4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102051	0	46	0.0	-57.15	360.44	2.35	-54.80
NC1=NC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=NC2=CC=CC=C12	REAL300012102053	0	42	0.0	-65.88	347.04	2.26	-63.62
O=C([O-])C1(C2=NC(C3=CC=C(N4CCOC4=O)C=C3)=NO2)C[NH2+]CCO1	REAL300012102055	0	42	0.0	-62.28	345.18	3.59	-58.69
NC1=NC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=NC(N)=N1	REAL300012102057	0	37	0.0	-61.30	313.99	1.44	-59.86
O=C([O-])C1(C2=NC(CCC3CCCCC3)=NO2)C[NH2+]CCO1	REAL300012102059	0	45	0.0	-54.30	340.65	5.03	-49.27
O=C([O-])C1(C2=NC(C3=CC=C4C=CNC4=C3)=NO2)C[NH2+]CCO1	REAL300012102061	0	37	0.0	-59.35	307.56	3.55	-55.80
CC(C)N(CCC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)S(C)(=O)=O	REAL300012102063	0	46	0.0	-59.30	366.54	0.23	-59.07
CC1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=N1	REAL300012102065	0	38	0.0	-60.00	315.09	2.89	-57.11
O=C([O-])C1(C2=NC(C3=CC4=CC=CN=C4C=C3)=NO2)C[NH2+]CCO1	REAL300012102067	0	38	0.0	-59.32	317.67	3.89	-55.43
CSCC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102069	0	40	0.0	-57.42	342.67	5.41	-52.01
NC(=O)C1=CC=CC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102071	0	40	0.0	-67.83	332.91	0.85	-66.98
O=C([O-])C1(C2=NC(C3=CC=CC(N4C=NC=N4)=C3)=NO2)C[NH2+]CCO1	REAL300012102073	0	39	0.0	-61.10	329.60	6.03	-55.07
COC1=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=NC2=CC=CC=C21	REAL300012102075	0	42	0.0	-58.79	346.41	3.71	-55.08
O=C([O-])C1(C2=NC(CCCOCCC3=CC=CC=C3)=NO2)C[NH2+]CCO1	REAL300012102077	0	49	0.0	-55.76	397.14	5.70	-50.06
O=C([O-])C1(C2=NC(C3=NNC4=CC=CC=C43)=NO2)C[NH2+]CCO1	REAL300012102080	0	36	0.0	-61.88	303.70	2.11	-59.77
CCC1=CC=CN=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102082	0	38	0.0	-62.87	306.55	3.33	-59.54
O=C([O-])C1(C2=NC(CCCC3=CC=CC=C3Cl)=NO2)C[NH2+]CCO1	REAL300012102084	0	42	0.0	-56.57	354.28	6.01	-50.56
O=C([O-])C1(C2=NC(C3=CC=C4NC(=O)NC4=C3)=NO2)C[NH2+]CCO1	REAL300012102086	0	37	0.0	-58.68	312.04	0.34	-58.34
O=C([O-])C1(C2=NC(C3=CC=C4N=CNC4=C3)=NO2)C[NH2+]CCO1	REAL300012102088	0	36	0.0	-61.48	301.93	3.17	-58.31
O=C([O-])C1(C2=NC(C3=CC=CC(C(F)(F)F)=N3)=NO2)C[NH2+]CCO1	REAL300012102090	0	35	0.0	-65.11	312.11	2.73	-62.38
COC1=CC2=C(CC3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)C=CC=C2C=C1	REAL300012102092	0	46	0.0	-58.46	369.88	5.52	-52.94
O=C([O-])C1(C2=NC(CCC3=CC=C(OC(F)F)C=C3)=NO2)C[NH2+]CCO1	REAL300012102094	0	43	0.0	-58.06	359.38	4.44	-53.62
COC1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=N1	REAL300012102096	0	39	0.0	-59.70	325.69	0.76	-58.94
O=C([O-])C1(C2=NC(CC3=CC=CC(F)=C3Cl)=NO2)C[NH2+]CCO1	REAL300012102098	0	36	0.0	-55.38	317.01	4.57	-50.81
O=C([O-])C1(C2=NC(C3CC(=O)N(C4CC4)C3)=NO2)C[NH2+]CCO1	REAL300012102100	0	41	0.0	-56.85	328.00	2.47	-54.38
O=C([O-])C1(C2=NC(C3CC(=O)N(C4=CC=CC=C4)C3)=NO2)C[NH2+]CCO1	REAL300012102102	0	44	0.0	-57.94	353.54	4.23	-53.71
O=C([O-])C1(C2=NC(C3=CN=C4C=CSC4=C3)=NO2)C[NH2+]CCO1	REAL300012102104	0	35	0.0	-57.44	308.54	3.00	-54.44
O=C([O-])C1(C2=NC(C3=CC4=NC=CN=C4C=C3)=NO2)C[NH2+]CCO1	REAL300012102106	0	37	0.0	-59.20	312.30	1.96	-57.24
O=C([O-])C1(C2=NC(C3C[NH+]4CCC3CC4)=NO2)CNCCO1	REAL300012102108	1	42	0.0	-68.74	312.15	2.09	-66.65
O=C([O-])C1CC12CCC(C1=NC(C3C[NH+]4CCC3CC4)=NO1)C2	REAL300012102109	0	46	0.0	-70.72	341.99	8.26	-62.46
O=C([O-])C1(C2=NC(C3=CC=C(N4CCOC4=O)N=C3)=NO2)C[NH2+]CCO1	REAL300012102110	0	41	0.0	-72.45	343.39	3.11	-69.34
CN(CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C(=O)C1=CC=CC=C1	REAL300012102113	0	43	0.0	-57.97	349.93	3.61	-54.36
O=C([O-])C1(C2=NC(C3=CC=CC(N4C=CC=N4)=N3)=NO2)C[NH2+]CCO1	REAL300012102115	0	39	0.0	-63.96	332.32	3.90	-60.06
CC(C1=CC=CS1)C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102117	0	36	0.0	-55.50	308.10	3.63	-51.87
O=C([O-])C1(C2=NC(C3=CC(N4CCOC4=O)=CC=C3)=NO2)C[NH2+]CCO1	REAL300012102119	0	42	0.0	-65.98	344.95	3.59	-62.39
O=C([O-])C1(C2=NC(C3=CC=CC(N4C=CN=C4)=N3)=NO2)C[NH2+]CCO1	REAL300012102121	0	39	0.0	-67.75	329.81	5.08	-62.67
O=C([O-])C1(C2=NC(C3=NC=CC4=CC=CC=C43)=NO2)C[NH2+]CCO1	REAL300012102123	0	38	0.0	-63.52	312.53	4.07	-59.45
O=C([O-])C1(C2=NC(CC3=CN4C=CC=CC4=N3)=NO2)C[NH2+]CCO1	REAL300012102125	0	39	0.0	-64.16	325.55	4.55	-59.61
O=C([O-])C1(C2=NC(C3=CC=C(N4CCOCC4)N=C3)=NO2)C[NH2+]CCO1	REAL300012102127	0	45	0.0	-58.61	358.37	1.74	-56.87
O=C([O-])C1(C2=NC(C3=CC=C(N4C=CC=N4)N=C3)=NO2)C[NH2+]CCO1	REAL300012102129	0	39	0.0	-57.94	332.18	4.01	-53.93
O=C([O-])C1(C2=NC(COCC(F)(F)F)=NO2)C[NH2+]CCO1	REAL300012102131	0	33	0.0	-61.08	292.06	0.87	-60.21
NC(=O)C1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102133	0	40	0.0	-61.85	332.91	0.86	-60.99
O=C([O-])C1(C2=NC(CC3=CC=C(N4C=CC=N4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102135	0	43	0.0	-59.86	356.73	5.28	-54.58
NC(=O)NC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102137	0	39	0.0	-61.74	325.80	-0.40	-62.14
O=C([O-])C1(C2=NC(C3=CC=C(N4C=CN=C4)N=C3)=NO2)C[NH2+]CCO1	REAL300012102139	0	39	0.0	-60.49	329.65	5.19	-55.30
CC1=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)N=C(C2=CC=CC=C2)O1	REAL300012102141	0	45	0.0	-59.46	375.91	3.25	-56.21
O=C([O-])C1(C2=NC(C3=CC=C(OC4=NC=CC=N4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102143	0	42	0.0	-60.77	357.64	1.87	-58.90
CC1=CC(C(C)(C)C)=CC(C)=C1CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102145	0	54	0.0	-53.39	407.14	7.50	-45.89
CC1(C2=CC=C(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)C=C2)NC(=O)NC1=O	REAL300012102147	0	45	0.0	-59.86	372.61	0.57	-59.29
O=C([O-])C1(C2=NC(CN3C(=O)C4=CC=CC=C4S3(=O)=O)=NO2)C[NH2+]CCO1	REAL300012102149	0	41	0.0	-69.06	360.22	0.08	-68.98
O=C([O-])C1(C2=NC(CSC3=CC=C4OCCOC4=C3)=NO2)C[NH2+]CCO1	REAL300012102150	0	43	0.0	-61.11	361.65	3.66	-57.45
O=C([O-])C1(C2=NC(CC3=CSC(C4=CC=CC=C4)=N3)=NO2)C[NH2+]CCO1	REAL300012102152	0	42	0.0	-60.08	363.25	4.84	-55.24
CCOC1=C(Cl)C=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1OC	REAL300012102154	0	44	0.0	-57.91	376.79	4.33	-53.58
COC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC(Cl)=C1OC(C)C	REAL300012102156	0	47	0.0	-57.80	393.15	5.13	-52.67
O=C([O-])C1(C2=NC(C3=CC=C(CN4CCOCC4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102157	0	49	0.0	-57.37	385.40	2.61	-54.76
O=C([O-])C1CC12CCC(C1=NC(C3=CC=C(C[NH+]4CCOCC4)C=C3)=NO1)C2	REAL300012102158	1	53	0.0	-80.65	417.45	9.73	-70.92
O=C([O-])C1(C2=NC(C3=CC(Cl)=C4OCCCOC4=C3)=NO2)C[NH2+]CCO1	REAL300012102159	0	42	0.0	-58.00	355.16	4.00	-54.00
CCCOC1=C(Cl)C=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1OC	REAL300012102161	0	47	0.0	-57.79	398.29	5.13	-52.66
CC1=CC(C)=NN1C1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102162	0	49	0.0	-56.98	397.75	6.27	-50.71
NC1=NC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=NC(NC2=CC=CC=C2)=N1	REAL300012102164	0	47	0.0	-61.81	391.08	6.53	-55.28
O=C([O-])C1(C2=NC(CC3=CC(Cl)=C4OCCOC4=C3)=NO2)C[NH2+]CCO1	REAL300012102165	0	42	0.0	-57.17	358.84	3.77	-53.40
O=C([O-])C1(C2=NC(C3=CC=C(COCC(F)(F)F)C=C3)=NO2)C[NH2+]CCO1	REAL300012102167	0	43	0.0	-60.45	373.04	4.68	-55.77
O=C([O-])C1(C2=NC(C3=CC=CC=C3CN3C(=O)CNC3=O)=NO2)C[NH2+]CCO1	REAL300012102169	0	45	0.0	-64.43	369.98	2.58	-61.85
O=C([O-])C1(C2=NC(C3=CC=C(CN4C(=O)CNC4=O)C=C3)=NO2)C[NH2+]CCO1	REAL300012102171	0	45	0.0	-62.04	379.35	2.14	-59.90
CN(C)S(=O)(=O)C1=CC=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102173	0	44	0.0	-64.53	362.65	2.30	-62.23
O=C([O-])C1(C2=NC(C3=CC=C(C(=O)N4CCOCC4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102175	0	48	0.0	-59.34	381.38	2.98	-56.36
O=C([O-])C1(C2=NC(C3=CC(NC(=O)C4=CC=CO4)=CC=C3)=NO2)C[NH2+]CCO1	REAL300012102177	0	44	0.0	-63.31	372.57	3.54	-59.77
COC1=CC=C(C2=NC(CC3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)=CO2)C=C1	REAL300012102179	0	46	0.0	-62.15	384.69	1.80	-60.35
CC[NH+](CC)CCOC1=CC=C(C2=NOC(C3(C(=O)[O-])CNCCO3)=N2)C=C1	REAL300012102181	1	54	0.0	-72.67	416.66	5.19	-67.48
CC[NH+](CC)CCOC1=CC=CC=C1C1=NOC(C2(C(=O)[O-])CNCCO2)=N1	REAL300012102182	1	54	0.0	-66.45	413.59	5.35	-61.10
O=C([O-])C1(C2=NC(CC3=CC=C(OC(F)(F)F)C=C3)=NO2)C[NH2+]CCO1	REAL300012102183	0	40	0.0	-53.63	344.36	3.87	-49.76
CC1CC[NH+](CC2=CC=C(C3=NOC(C4(C(=O)[O-])CNCCO4)=N3)C=C2)CC1	REAL300012102185	1	54	0.0	-76.15	413.76	6.48	-69.67
CC1CC[NH+](CC2=CC=C(C3=NOC(C4CCC5(CC5C(=O)[O-])C4)=N3)C=C2)CC1	REAL300012102186	0	58	0.0	-78.76	446.11	12.73	-66.03
O=C([O-])C1(C2=NC(CC3=CC(Br)=CC=C3F)=NO2)C[NH2+]CCO1	REAL300012102187	0	36	0.0	-55.26	325.50	4.73	-50.53
O=C([O-])C1(C2=NC(C3=CC(C(=O)NCC4=CC=CO4)=CC=C3)=NO2)C[NH2+]CCO1	REAL300012102189	0	47	0.0	-60.73	394.86	3.78	-56.95
O=C([O-])C1(C2=NC(C3=CC(NC(=O)C4CCC4)=CC=C3)=NO2)C[NH2+]CCO1	REAL300012102190	0	47	0.0	-61.57	379.40	4.52	-57.05
O=C([O-])C1(C2=NC(C3=CC(F)=CC(Br)=C3)=NO2)C[NH2+]CCO1	REAL300012102192	0	33	0.0	-54.59	303.99	4.19	-50.40
COC1=CC(C2=NOC(C3(C(=O)[O-])CNCCO3)=N2)=CC=C1OCC[NH+](C)C	REAL300012102194	1	52	0.0	-72.71	410.68	3.73	-68.98
O=C([O-])C1(C2=NC(CC3=CC=C(OCC4=CC=CC=N4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102195	0	49	0.0	-57.13	402.40	5.67	-51.46
O=C([O-])C1(C2=NC(CC3=CC=C(OCC4=CC=CN=C4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102196	0	49	0.0	-59.28	404.47	5.57	-53.71
O=C([O-])C1(C2=NC(CC3=CC=C(OCC4=CC=NC=C4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102197	0	49	0.0	-58.86	404.52	5.60	-53.26
O=C([O-])C1(C2=NC(C3=CC=NC(OCC4=CC=CC=C4)=C3)=NO2)C[NH2+]CCO1	REAL300012102198	0	46	0.0	-56.65	385.40	4.19	-52.46
CC(C)NS(=O)(=O)C1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102200	0	47	0.0	-59.06	393.09	1.17	-57.89
O=C([O-])C1(C2=NC(C3=CC=C(S(=O)(=O)NC4CC4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102201	0	45	0.0	-59.56	385.52	1.37	-58.19
CC1=CC=C(OC2=CC(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)=CC=N2)C=C1C	REAL300012102202	0	49	0.0	-57.27	401.57	5.03	-52.24
CN(C)S(=O)(=O)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102203	0	44	0.0	-61.64	372.55	1.47	-60.17
O=C([O-])C1(C2=NC(C3=CC=C(N4CCNC(=O)C4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102205	0	46	0.0	-60.62	366.30	0.77	-59.85
CC(C)NC(=O)NC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102207	0	48	0.0	-61.22	389.84	2.70	-58.52
CC(C)NC(=O)NC1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102209	0	48	0.0	-64.17	389.35	2.73	-61.44
COC1=CC=C(Br)C=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102211	0	37	0.0	-58.55	324.87	3.72	-54.83
CCOC1=CC=C(Br)C=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102213	0	40	0.0	-58.15	346.73	4.64	-53.51
COC1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1OC(F)F	REAL300012102214	0	44	0.0	-59.66	366.87	3.57	-56.09
O=C([O-])C1(C2=NC(CC3=CC=C(F)C(Br)=C3)=NO2)C[NH2+]CCO1	REAL300012102216	0	36	0.0	-58.54	325.65	4.72	-53.82
COC1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(Cl)=C1OC	REAL300012102218	0	44	0.0	-57.54	374.31	3.85	-53.69
O=C([O-])C1(C2=NC(C3=CC=C(N4C=NC5=CC=CC=C54)C=C3)=NO2)C[NH2+]CCO1	REAL300012102220	0	46	0.0	-59.92	383.36	8.18	-51.74
O=C([O-])C1(C2=NC(C3=CC=C(OC4=CC=CN=C4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102221	0	43	0.0	-57.73	359.82	4.58	-53.15
O=C([O-])C1(C2=NC(C3CN(CC4=CC=CC=C4)CCO3)=NO2)C[NH2+]CCO1	REAL300012102223	0	49	0.0	-56.20	381.52	2.00	-54.20
O=C([O-])C1(C2=NC(CC3=CC=C(OC4=NC=CC=N4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102225	0	45	0.0	-59.94	379.74	2.42	-57.52
O=C([O-])C1(C2=NC(C3=CC=C(CN4C=NC=N4)C(F)=C3)=NO2)C[NH2+]CCO1	REAL300012102227	0	42	0.0	-61.86	360.25	6.61	-55.25
C[N@@H+]1CCCN(C2=CC=C(C3=NOC(C4(C(=O)[O-])CNCCO4)=N3)C=N2)CC1	REAL300012102229	1	52	0.0	-73.58	398.27	3.08	-70.50
C[N@H+]1CCCN(C2=CC=C(C3=NOC(C4(C(=O)[O-])CNCCO4)=N3)C=N2)CC1	REAL300012102229	1	52	0.0	-71.67	394.43	3.50	-68.17
C[N@@H+]1CCCN(C2=CC=C(C3=NOC(C4CCC5(CC5C(=O)[O-])C4)=N3)C=N2)CC1	REAL300012102230	0	56	0.0	-77.00	426.03	9.78	-67.22
C[N@H+]1CCCN(C2=CC=C(C3=NOC(C4CCC5(CC5C(=O)[O-])C4)=N3)C=N2)CC1	REAL300012102230	1	56	0.0	-75.63	426.68	9.65	-65.98
O=C([O-])C1(C2=NC(CC3=CN4C=C(Cl)C=C(Cl)C4=N3)=NO2)C[NH2+]CCO1	REAL300012102231	0	39	0.0	-56.55	358.76	5.53	-51.02
O=C([O-])C1(C2=NC(C3=CC=C(OC4CCCCC4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102232	0	50	0.0	-56.22	387.13	6.29	-49.93
CC1(C2=CC=CC(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)=C2)NC(=O)NC1=O	REAL300012102234	0	45	0.0	-60.71	370.73	0.25	-60.46
CCC1=CC=CC(OC2=CC(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)=CC=N2)=C1	REAL300012102236	0	49	0.0	-57.05	406.17	5.29	-51.76
CC[NH+]1CCN(C2=CC=C(C3=NOC(C4(C(=O)[O-])CNCCO4)=N3)C=N2)CC1	REAL300012102237	1	52	0.0	-75.28	403.88	3.45	-71.83
CC[NH+]1CCN(C2=CC=C(C3=NOC(C4CCC5(CC5C(=O)[O-])C4)=N3)C=N2)CC1	REAL300012102238	0	56	0.0	-77.27	432.52	9.46	-67.81
O=C([O-])C1(C2=NC(CCCOC3=CC=CC4=CC=CC=C43)=NO2)C[NH2+]CCO1	REAL300012102239	0	49	0.0	-60.46	394.87	6.79	-53.67
O=C([O-])C1(C2=NC(C3=CC=C(C4=NC5=CC=CC=C5N4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102241	0	46	0.0	-59.44	381.77	6.10	-53.34
CC1=CC=C(OC2=CC=C(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)C=C2)C=C1	REAL300012102242	0	47	0.0	-56.05	386.62	7.05	-49.00
CC1=NC(C2=CC=CC(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)=C2)=CS1	REAL300012102244	0	42	0.0	-59.32	360.80	4.94	-54.38
O=C([O-])C1(C2=NC(C3=CC=C(OC4CCOCC4)C=C3)=NO2)C[NH2+]CCO1	REAL300012102246	0	48	0.0	-56.65	378.39	3.91	-52.74
O=C([O-])C1(C2=NC(CCC3=C(Cl)C=CC=C3Cl)=NO2)C[NH2+]CCO1	REAL300012102248	0	39	0.0	-55.60	348.22	5.71	-49.89
O=C([O-])C1(C2=NC(C3=CC=C(CN4CCCC4=O)C=C3)=NO2)C[NH2+]CCO1	REAL300012102250	0	47	0.0	-65.69	383.72	5.28	-60.41
O=C([O-])C1(C2=NC(C3=CC(CN4CCCC4=O)=CC=C3)=NO2)C[NH2+]CCO1	REAL300012102252	0	47	0.0	-61.77	383.71	5.27	-56.50
O=C([O-])C1(C2=NC(CN(C(=O)C3=CC=CC=C3)C3CC3)=NO2)C[NH2+]CCO1	REAL300012102254	0	47	0.0	-60.07	369.19	5.06	-55.01
O=C([O-])C1(C2=NC(CCC3=CC=CC=C3Br)=NO2)C[NH2+]CCO1	REAL300012102256	0	39	0.0	-54.79	336.32	5.30	-49.49
O=C([O-])C1(C2=NC(C3=CC=CC(OCC(F)(F)F)=N3)=NO2)C[NH2+]CCO1	REAL300012102258	0	39	0.0	-60.81	345.23	1.52	-59.29
COC1=CC=C(C2=CC=C(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)C=C2)C=C1	REAL300012102260	0	47	0.0	-58.56	379.84	6.23	-52.33
COC1=CC2=CC=C(C(C)C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)C=C2C=C1	REAL300012102262	0	49	0.0	-56.27	390.08	6.04	-50.23
O=C([O-])C1(C2=NC(C3=CC=C(N4CCOCC4)C(F)=C3)=NO2)C[NH2+]CCO1	REAL300012102264	0	46	0.0	-58.27	370.21	2.66	-55.61
CC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(OC2CCCC2)=C1	REAL300012102266	0	50	0.0	-57.91	390.43	6.68	-51.23
COCCCOC1=CC(C)=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102268	0	50	0.0	-58.96	402.27	4.57	-54.39
CC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(SC2=CC=CC=C2)=C1	REAL300012102270	0	47	0.0	-58.00	391.88	8.47	-49.53
COCCOC1=CC=C(Cl)C=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102271	0	44	0.0	-59.74	375.77	3.80	-55.94
O=C([O-])C1(C2=NC(C3=CC(Cl)=CC=C3OC3CCOC3)=NO2)C[NH2+]CCO1	REAL300012102273	0	45	0.0	-60.41	376.13	3.96	-56.45
CC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1N1CCCC(C)C1	REAL300012102274	0	54	0.0	-55.87	406.92	6.37	-49.50
CC1CCCN1C(=O)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102276	0	50	0.0	-59.22	385.81	5.06	-54.16
CCCC(NC(=O)C1=CC=CC=C1)C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102278	0	49	0.0	-60.57	388.95	3.86	-56.71
COC1=CC(Br)=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102280	0	37	0.0	-56.16	324.85	3.74	-52.42
CC1=CC(Br)=CC=C1CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102282	0	39	0.0	-52.97	334.03	5.64	-47.33
O=C([O-])C1(C2=NC(C3=CC=CC=C3OCC3CCCC3)=NO2)C[NH2+]CCO1	REAL300012102284	0	50	0.0	-57.83	390.79	6.77	-51.06
CN(C)S(=O)(=O)C1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102286	0	44	0.0	-59.37	371.83	1.51	-57.86
O=C([O-])C1(C2=NC(CCCC3=CC=CC=C3Br)=NO2)C[NH2+]CCO1	REAL300012102288	0	42	0.0	-56.43	357.82	6.08	-50.35
O=C([O-])C1(C2=NC(C3CC(=O)N(CC4=CC=CC=C4)C3)=NO2)C[NH2+]CCO1	REAL300012102289	0	47	0.0	-57.65	383.15	4.87	-52.78
CC(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=C(Br)C=C1	REAL300012102291	0	39	0.0	-55.47	336.15	5.13	-50.34
COC1=CC=C(COCCCC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102293	0	50	0.0	-57.43	405.15	4.22	-53.21
CCC(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=C(Br)C=C1	REAL300012102295	0	42	0.0	-55.26	355.90	5.79	-49.47
O=C([O-])C1(C2=NC(C3=CC=CC(Cl)=C3F)=NO2)C[NH2+]CCO1	REAL300012102297	0	33	0.0	-55.64	297.25	4.15	-51.49
O=C([O-])C1(C2=NC(CCN3C(=O)NC4(CCCCC4)C3=O)=NO2)C[NH2+]CCO1	REAL300012102299	0	51	0.0	-59.96	399.89	2.52	-57.44
O=C([O-])C1(C2=NC(CCN3C=NC4=CC=CC=C4C3=O)=NO2)C[NH2+]CCO1	REAL300012102300	0	44	0.0	-67.09	365.39	5.04	-62.05
O=C([O-])C1(C2=NC(C3=CC=CC=C3Br)=NO2)C[NH2+]CCO1	REAL300012102302	0	33	0.0	-56.12	292.39	4.33	-51.79
O=C([O-])C1(C2=NC(C3(C4=CC=CC=C4)CCC3)=NO2)C[NH2+]CCO1	REAL300012102304	0	43	0.0	-56.68	341.84	5.57	-51.11
O=C([O-])C1(C2=NC(C3=CC=C(F)C=C3C(F)(F)F)=NO2)C[NH2+]CCO1	REAL300012102306	0	36	0.0	-53.64	312.43	4.91	-48.73
CC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(F)=C1	REAL300012102308	0	36	0.0	-60.28	302.42	4.55	-55.73
O=C([O-])C1(C2=NC(C3=CC=C(Br)C=N3)=NO2)C[NH2+]CCO1	REAL300012102310	0	32	0.0	-59.86	292.97	2.23	-57.63
CC1(C)NC(=O)N(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C1=O	REAL300012102312	0	41	0.0	-61.61	340.57	-0.29	-61.90
CCN1CCN(CCC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(=O)C1=O	REAL300012102314	0	47	0.0	-64.52	379.84	2.81	-61.71
CCC1=NC2=CC=CC=C2N1CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102316	0	45	0.0	-63.73	361.70	5.53	-58.20
CN(C)S(=O)(=O)N(C)CCC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102318	0	45	0.0	-58.60	366.57	-0.66	-59.26
COCC1=NC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(N)=N1	REAL300012102321	0	40	0.0	-58.13	331.48	-0.23	-58.36
CC(C)(NS(C)(=O)=O)C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102323	0	40	0.0	-59.98	319.44	-2.40	-62.38
O=C([O-])C1(C2=NC(CC3=CC=C4CCCC4=C3)=NO2)C[NH2+]CCO1	REAL300012102325	0	43	0.0	-55.02	343.91	5.99	-49.03
CCOC1=CN=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=N1	REAL300012102327	0	38	0.0	-59.43	320.51	-0.82	-60.25
COCCOC1=CN=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=N1	REAL300012102329	0	42	0.0	-61.42	354.12	-1.55	-62.97
O=C([O-])C1(C2=NC(C3=CC(N4CCNC4=O)=CC=C3)=NO2)C[NH2+]CCO1	REAL300012102331	0	43	0.0	-65.75	348.74	2.25	-63.50
O=C([O-])C1(C2=NC(CC(=O)NC3=CC=C(F)C=C3)=NO2)C[NH2+]CCO1	REAL300012102333	0	40	0.0	-58.60	338.65	2.23	-56.37
O=C([O-])C1(C2=NC(CC(=O)NC3=CC=C(Cl)C=C3)=NO2)C[NH2+]CCO1	REAL300012102335	0	40	0.0	-58.10	348.97	2.69	-55.41
O=C([O-])C1(C2=NC(CC(=O)NC3=CC=CC=C3F)=NO2)C[NH2+]CCO1	REAL300012102337	0	40	0.0	-65.15	337.08	2.29	-62.86
CC1=CC=CC=C1NC(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102339	0	43	0.0	-58.36	350.05	3.02	-55.34
COC1=CC=CC(NC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102341	0	44	0.0	-60.77	361.73	1.46	-59.31
O=C(CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)NCC1=CC=CO1	REAL300012102343	0	40	0.0	-58.13	339.07	0.41	-57.72
CC(NC(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=CC=C1	REAL300012102345	0	46	0.0	-57.96	375.85	3.12	-54.84
O=C(CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)NC1CCCCC1	REAL300012102347	0	46	0.0	-57.55	360.67	1.97	-55.58
CC1=CC=CC(C)=C1NC(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102349	0	46	0.0	-57.53	368.87	3.76	-53.77
CC1=CC=CC(NC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102351	0	43	0.0	-68.00	353.38	2.84	-65.16
O=C(CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)NC1=CC=CC=C1	REAL300012102353	0	40	0.0	-58.48	332.24	2.17	-56.31
O=C(CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)NCCC1=CC=CC=C1	REAL300012102355	0	46	0.0	-59.17	379.82	3.05	-56.12
O=C([O-])C1(C2=NC(CC(=O)NC3=CC=CC=C3Cl)=NO2)C[NH2+]CCO1	REAL300012102357	0	40	0.0	-64.59	346.06	2.79	-61.80
CCC1=CC=C(NC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102359	0	46	0.0	-58.23	375.12	3.61	-54.62
CCCCC1=CC=C(NC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102361	0	52	0.0	-57.96	418.12	5.17	-52.79
O=C(CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)NC1=CC=CC2=CC=CC=C21	REAL300012102363	0	46	0.0	-68.51	375.55	4.59	-63.92
CCOCCCNC(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102365	0	46	0.0	-58.38	375.44	0.07	-58.31
CC1=C(Cl)C=CC=C1NC(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102368	0	43	0.0	-57.43	364.07	3.45	-53.98
CC1=CC(C)=C(NC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(C)=C1	REAL300012102370	0	49	0.0	-67.06	390.02	4.42	-62.64
CCOC1=CC=C(NC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102372	0	47	0.0	-59.37	383.60	2.39	-56.98
CC1=CC=C(NC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(C)=C1	REAL300012102374	0	46	0.0	-58.49	371.43	3.68	-54.81
COC1=CC=CC=C1NC(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102377	0	44	0.0	-66.84	359.98	1.60	-65.24
COC1=CC=C(NC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1OC	REAL300012102379	0	48	0.0	-61.52	390.97	1.37	-60.15
O=C([O-])C1(C2=NC(CC(=O)NC3=CC=C(F)C(Cl)=C3)=NO2)C[NH2+]CCO1	REAL300012102380	0	40	0.0	-58.36	354.83	2.74	-55.62
COC1=CC=C(NC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1Cl	REAL300012102382	0	44	0.0	-59.64	377.77	2.02	-57.62
COCCCNC(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102383	0	43	0.0	-58.52	353.58	-0.90	-59.42
CCCCNC(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102386	0	42	0.0	-57.58	341.41	0.81	-56.77
COCC(C)NC(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102388	0	43	0.0	-57.68	350.96	-0.71	-58.39
CCC(C)C1=CC=C(NC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102390	0	52	0.0	-67.19	410.88	4.73	-62.46
COC1=CC=C(NC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102392	0	44	0.0	-59.64	361.75	1.46	-58.18
O=C(CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)NC1=CC=C2OCCOC2=C1	REAL300012102394	0	46	0.0	-72.10	376.77	1.31	-70.79
CC(=O)NC1=CC=C(NC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102395	0	47	0.0	-64.39	388.06	1.08	-63.31
CCOC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1O	REAL300012102397	0	41	0.0	-58.01	338.35	1.60	-56.41
CCOC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC(Cl)=C1O	REAL300012102399	0	41	0.0	-57.99	354.36	2.13	-55.86
CC(C)OCCCNC(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102401	0	49	0.0	-58.30	395.71	0.81	-57.49
COC1=CC=C(CCNC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102403	0	50	0.0	-60.69	409.33	2.35	-58.34
COC1=CC=C(CNC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102404	0	47	0.0	-66.61	387.57	1.59	-65.02
CCCCCCNC(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102407	0	48	0.0	-57.45	384.41	2.37	-55.08
CCCCCNC(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102409	0	45	0.0	-57.54	362.91	1.59	-55.95
O=C([O-])C1(C2=NC(C3=CN(C4=CC=CC=C4)N=C3)=NO2)C[NH2+]CCO1	REAL300012102412	0	40	0.0	-59.65	335.86	4.67	-54.98
O=C(CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)NC1CCCC1	REAL300012102414	0	43	0.0	-57.48	342.44	1.44	-56.04
CN1C=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(=O)NC1=O	REAL300012102416	0	36	0.0	-70.56	304.58	-0.09	-70.65
O=C([O-])C1(C2=NC(CCN3C(=O)NC4(CCCC4)C3=O)=NO2)C[NH2+]CCO1	REAL300012102418	0	48	0.0	-61.55	384.82	1.62	-59.93
O=C([O-])C1(C2=NC(C3=CC=C(F)C(F)=C3)=NO2)C[NH2+]CCO1	REAL300012102420	0	33	0.0	-54.04	288.98	3.64	-50.40
O=C([O-])C1(C2=NC(C3=CNC4=CC=CC=C43)=NO2)C[NH2+]CCO1	REAL300012102422	0	37	0.0	-57.50	308.44	3.55	-53.95
CC1=CC=C(F)C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102424	0	36	0.0	-60.73	302.16	4.53	-56.20
O=C([O-])C1(C2=NC(C3=CC=C(Br)C=C3F)=NO2)C[NH2+]CCO1	REAL300012102426	0	33	0.0	-58.15	302.30	4.49	-53.66
COC1=CC(OC)=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102428	0	41	0.0	-59.32	335.24	2.13	-57.19
O=C([O-])C1(C2=NC(C3=CC=C(Cl)C=C3Cl)=NO2)C[NH2+]CCO1	REAL300012102430	0	33	0.0	-55.98	305.54	5.19	-50.79
CC1=CC(Br)=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102432	0	36	0.0	-55.26	312.90	5.01	-50.25
O=C([O-])C1(C2=NC(C3=CC=C(O)C=C3F)=NO2)C[NH2+]CCO1	REAL300012102434	0	34	0.0	-61.05	291.74	1.02	-60.03
CCCS(=O)(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102436	0	38	0.0	-62.71	323.81	-0.49	-63.20
O=C([O-])C1(C2=NC(CN3C=NC4=CC=CC=C43)=NO2)C[NH2+]CCO1	REAL300012102438	0	39	0.0	-62.86	325.99	4.97	-57.89
O=C([O-])C1(C2=NC(C3=CC=C([N+](=O)[O-])S3)=NO2)C[NH2+]CCO1	REAL300012102440	0	32	0.0	-58.69	297.24	3.38	-55.31
CC1=NC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(N)=N1	REAL300012102442	0	36	0.0	-57.13	297.82	0.80	-56.33
O=C([O-])C1(C2=NC(C3COC4=CC=CC=C4O3)=NO2)C[NH2+]CCO1	REAL300012102444	0	39	0.0	-56.05	321.45	2.49	-53.56
CC(C)(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=CC=C1	REAL300012102446	0	42	0.0	-55.23	331.21	4.78	-50.45
CC1CN(C(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)CC(C)O1	REAL300012102450	0	47	0.0	-58.25	369.37	1.50	-56.75
O=C([O-])C1(C2=NC(C3=CC(Br)=CS3)=NO2)C[NH2+]CCO1	REAL300012102452	0	30	0.0	-54.63	288.66	3.14	-51.49
O=C([O-])C1(C2=NC(C3=CC4=CC=CC=C4O3)=NO2)C[NH2+]CCO1	REAL300012102454	0	36	0.0	-61.41	305.08	3.92	-57.49
O=C([O-])C1(C2=NC(C3=CN(C4=CC=CC(Cl)=C4)N=C3)=NO2)C[NH2+]CCO1	REAL300012102456	0	40	0.0	-60.59	352.59	5.18	-55.41
O=C([O-])C1(C2=NC(CN3N=C4C=CC=CN4C3=O)=NO2)C[NH2+]CCO1	REAL300012102458	0	39	0.0	-69.62	331.98	3.62	-66.00
CC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1O	REAL300012102460	0	37	0.0	-56.90	307.33	1.42	-55.48
CC(C)C1=NC2=CC=CC=C2N1CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102462	0	48	0.0	-63.19	387.37	5.80	-57.39
O=C([O-])C1(C2=NC(C3=C(Cl)N=C4SC=CN43)=NO2)C[NH2+]CCO1	REAL300012102464	0	33	0.0	-62.75	309.60	3.86	-58.89
O=C([O-])C1(C2=NC(C3=CC=C(Cl)S3)=NO2)C[NH2+]CCO1	REAL300012102466	0	30	0.0	-55.83	284.24	3.13	-52.70
O=C([O-])C1(C2=NC(C3=C(Cl)N=C4C=CC=CN43)=NO2)C[NH2+]CCO1	REAL300012102468	0	36	0.0	-64.16	317.06	4.68	-59.48
COC1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(F)=C1	REAL300012102470	0	40	0.0	-56.48	333.69	3.40	-53.08
CC1=CC=C(CNC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102472	0	46	0.0	-65.50	379.47	2.96	-62.54
CC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC(C)=C1Br	REAL300012102474	0	39	0.0	-54.95	334.17	5.26	-49.69
O=C([O-])C1(C2=NC(CC(=O)N3CCS(=O)(=O)CC3)=NO2)C[NH2+]CCO1	REAL300012102476	0	43	0.0	-66.25	354.79	-1.45	-67.70
O=C([O-])C1(C2=NC(CC(=O)N3CCSCC3)=NO2)C[NH2+]CCO1	REAL300012102478	0	41	0.0	-58.13	335.96	2.25	-55.88
CN(C(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1CCCCC1	REAL300012102480	0	49	0.0	-67.54	374.07	3.77	-63.77
CN1C=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(=O)N(C)C1=O	REAL300012102482	0	39	0.0	-70.58	324.15	2.04	-68.54
CN1C=NC([N+](=O)[O-])=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102484	0	35	0.0	-72.64	298.91	5.46	-67.18
COC1=CC=C([N+](=O)[O-])C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102486	0	42	0.0	-57.61	346.64	3.95	-53.66
O=C([O-])C1(C2=NC(CCC3=CC=C4OCCC4=C3)=NO2)C[NH2+]CCO1	REAL300012102488	0	44	0.0	-57.21	355.76	4.70	-52.51
O=C([O-])C1(C2=NC(C3=CC=C(Cl)O3)=NO2)C[NH2+]CCO1	REAL300012102490	0	30	0.0	-59.07	274.81	2.15	-56.92
O=C([O-])C1(C2=NC(C3=CC=CN4C=CN=C34)=NO2)C[NH2+]CCO1	REAL300012102492	0	36	0.0	-61.94	302.37	4.18	-57.76
CC(C)(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=CC(Cl)=C1F	REAL300012102494	0	42	0.0	-54.48	349.63	5.18	-49.30
CC(C)(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=C(Cl)C=C1F	REAL300012102496	0	42	0.0	-53.65	350.18	5.20	-48.45
NC1=NC(C2CC2)=NC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102498	0	40	0.0	-57.13	328.30	2.49	-54.64
CC1=NC([N+](=O)[O-])=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)N1C	REAL300012102500	0	38	0.0	-71.23	318.68	5.24	-65.99
O=C([O-])C1(C2=NC(C(C3=CC=CC=C3)C3CC3)=NO2)C[NH2+]CCO1	REAL300012102502	0	43	0.0	-55.04	346.92	6.01	-49.03
CSC1=CC=CN=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102504	0	36	0.0	-63.79	307.40	2.81	-60.98
O=C([O-])C1(C2=NC(CC3=CC4=NNC=C4C=C3)=NO2)C[NH2+]CCO1	REAL300012102506	0	39	0.0	-61.32	324.89	2.78	-58.54
CC(C)(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=CC(F)=C1	REAL300012102508	0	42	0.0	-54.36	337.89	4.84	-49.52
CC1=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)N2C=CSC2=N1	REAL300012102510	0	36	0.0	-60.33	312.77	4.26	-56.07
COC1=CN=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102513	0	36	0.0	-57.66	298.90	1.25	-56.41
CC1=NN=C2C=CC(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)=CN12	REAL300012102515	0	38	0.0	-61.33	319.16	4.63	-56.70
O=C([O-])C1(C2=NC(C3=CN=C4C=NC=CN34)=NO2)C[NH2+]CCO1	REAL300012102517	0	35	0.0	-58.77	296.87	2.20	-56.57
CN1N=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1Br	REAL300012102519	0	33	0.0	-56.68	297.89	1.81	-54.87
CC(C)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=N1	REAL300012102521	0	41	0.0	-57.68	331.65	3.56	-54.12
CC(C)(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1CCCCC1	REAL300012102523	0	48	0.0	-54.45	347.22	4.95	-49.50
O=C([O-])C1(C2=NC(C3=CC=C(Br)O3)=NO2)C[NH2+]CCO1	REAL300012102525	0	30	0.0	-59.10	279.44	2.26	-56.84
O=C([O-])C1(C2=NC(C3(C4=CC=CC(C(F)(F)F)=C4)CCC3)=NO2)C[NH2+]CCO1	REAL300012102527	0	46	0.0	-60.78	375.36	7.05	-53.73
CCCCS(=O)(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102528	0	41	0.0	-62.76	345.31	0.29	-62.47
O=C([O-])C1(C2=NC(CC(=O)NCC3=CC=C(F)C=C3F)=NO2)C[NH2+]CCO1	REAL300012102530	0	43	0.0	-59.45	370.30	2.37	-57.08
O=C([O-])C1(C2=NC(CC(=O)NCC3=CC=CC(Cl)=C3)=NO2)C[NH2+]CCO1	REAL300012102532	0	43	0.0	-58.30	375.05	2.80	-55.50
COCCCS(=O)(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102535	0	42	0.0	-64.78	357.48	-1.42	-66.20
CC1=C2OC(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)=CC2=CC(Cl)=C1	REAL300012102537	0	39	0.0	-59.28	343.04	5.08	-54.20
CC1=CC=CC(CNC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102539	0	46	0.0	-57.41	379.73	2.95	-54.46
CCC(NC(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=CC=C1	REAL300012102541	0	49	0.0	-57.18	389.70	3.74	-53.44
O=C([O-])C1(C2=NC(CC(=O)NCC3=CC=CC=C3F)=NO2)C[NH2+]CCO1	REAL300012102543	0	43	0.0	-58.16	363.99	2.31	-55.85
O=C([O-])C1(C2=NC(CC(=O)NCC3=CC=C(F)C(F)=C3)=NO2)C[NH2+]CCO1	REAL300012102545	0	43	0.0	-60.46	371.03	2.41	-58.05
O=C([O-])C1(C2=NC(CS(=O)(=O)NC3CC3)=NO2)C[NH2+]CCO1	REAL300012102547	0	38	0.0	-61.09	328.37	-1.80	-62.89
COC1=CC(Cl)=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102549	0	37	0.0	-56.20	320.29	3.62	-52.58
CCN(C(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=CC=C1	REAL300012102551	0	46	0.0	-67.34	373.56	4.74	-62.60
CC(C)(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=CC=C1Cl	REAL300012102554	0	42	0.0	-54.20	339.06	4.86	-49.34
COC1=CC=CC=C1C(C)(C)C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102556	0	46	0.0	-57.16	355.92	4.31	-52.85
COC1=CC=C(C(C)(C)C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1OC	REAL300012102558	0	50	0.0	-58.49	389.90	4.00	-54.49
CCSC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102560	0	40	0.0	-55.36	338.18	5.38	-49.98
CCSCCCC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102562	0	39	0.0	-54.78	326.41	3.96	-50.82
O=C([O-])C1(C2=NC(CC(=O)NCC3=CC=CC(F)=C3)=NO2)C[NH2+]CCO1	REAL300012102564	0	43	0.0	-58.95	364.73	2.35	-56.60
O=C([O-])C1(C2=NC(COCC(F)(F)C(F)F)=NO2)C[NH2+]CCO1	REAL300012102566	0	36	0.0	-56.89	318.12	1.75	-55.14
COCCCOC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102568	0	47	0.0	-57.00	383.03	3.62	-53.38
CC1=CC=C2OC(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)=CC2=C1	REAL300012102570	0	39	0.0	-60.95	326.45	4.59	-56.36
O=C([O-])C1(C2=NC(C3=CN=C(OCC(F)(F)F)C=N3)=NO2)C[NH2+]CCO1	REAL300012102572	0	38	0.0	-59.96	340.09	-0.36	-60.32
CCN(CC1=CC=CC=C1)C(=O)CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102574	0	49	0.0	-57.87	395.48	5.31	-52.56
CC(C)(CC1=CC=CC=C1)C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102577	0	45	0.0	-55.31	351.27	5.47	-49.84
CCOC(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=CC=C1	REAL300012102579	0	43	0.0	-55.87	352.40	4.02	-51.85
COC1=CC=C(C(C)NC(=O)CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102581	0	50	0.0	-59.44	405.35	2.42	-57.02
NC(=O)C1=CNC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102582	0	35	0.0	-62.64	299.22	-2.02	-64.66
COC1=CC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C([N+](=O)[O-])C(OC)=C1	REAL300012102584	0	46	0.0	-68.79	383.53	3.93	-64.86
CC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1N1CCCC1	REAL300012102585	0	48	0.0	-56.84	368.41	4.72	-52.12
O=C([O-])C1(C2=NC(C3=CN=C(OCC(F)F)C=N3)=NO2)C[NH2+]CCO1	REAL300012102587	0	38	0.0	-62.80	333.53	-0.50	-63.30
CC1=NN(C)C(Cl)=C1CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102589	0	39	0.0	-57.81	337.86	2.74	-55.07
O=C([O-])C1(C2=NC([C@H]3CN4CCCCC4CO3)=NO2)C[NH2+]CCO1	REAL300012102591	0	46	0.0	-55.48	343.00	1.09	-54.39
O=C([O-])C1(C2=NC(CC3=CC=C(OCC(F)(F)F)N=C3)=NO2)C[NH2+]CCO1	REAL300012102593	0	42	0.0	-58.69	367.11	2.16	-56.53
O=C([O-])C1(C2=NC(CC3=NN=CN3C3=CC=CC=C3)=NO2)C[NH2+]CCO1	REAL300012102595	0	42	0.0	-60.08	351.02	6.35	-53.73
O=C([O-])C1(C2=NC(C3CSC4=CC=CC=C4O3)=NO2)C[NH2+]CCO1	REAL300012102597	0	39	0.0	-57.85	330.77	3.76	-54.09
CC(C)(C)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102599	0	45	0.0	-55.74	352.68	5.84	-49.90
CC1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1F	REAL300012102601	0	36	0.0	-56.94	301.39	4.31	-52.63
CCOC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1F	REAL300012102603	0	40	0.0	-59.68	333.80	3.83	-55.85
O=C([O-])C1(C2=NC(C3=CC=C(N4C=C(Cl)C=N4)C(F)=C3)=NO2)C[NH2+]CCO1	REAL300012102605	0	40	0.0	-57.59	356.07	5.41	-52.18
O=C([O-])C1(C2=NC(C3=CC=CC=C3N3CCCOC3=O)=NO2)C[NH2+]CCO1	REAL300012102606	0	45	0.0	-62.02	363.79	5.61	-56.41
COC1=CC(C)=CC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102610	0	40	0.0	-58.19	325.25	3.77	-54.42
CN1N=C2C=CC=CC2=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102612	0	39	0.0	-57.44	321.12	4.07	-53.37
O=C([O-])C1(C2=NC(C3=CC4=CN=CN4C=C3)=NO2)C[NH2+]CCO1	REAL300012102614	0	36	0.0	-58.16	303.65	4.91	-53.25
O=C([O-])C1CC12CCC(C1=NC(C3=CC4=C[NH+]=CN4C=C3)=NO1)C2	REAL300012102615	1	40	0.0	-74.51	336.06	10.23	-64.28
O=C([O-])C1(C2=NC(C3=NC(Br)=CC=C3F)=NO2)C[NH2+]CCO1	REAL300012102616	0	32	0.0	-61.86	297.62	2.28	-59.58
CCC1=CC=NC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102618	0	38	0.0	-61.56	314.61	3.05	-58.51
O=C([O-])C1(C2=NC(C3=CC(N4CCC4=O)=CC=C3)=NO2)C[NH2+]CCO1	REAL300012102621	0	41	0.0	-64.94	341.64	3.85	-61.09
CC1=NOC(C)=C1CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102623	0	38	0.0	-60.55	315.77	2.84	-57.71
O=C([O-])C1(C2=NC(C3CCC(F)(F)C3)=NO2)C[NH2+]CCO1	REAL300012102626	0	36	0.0	-54.89	295.67	3.00	-51.89
O=C([O-])C1(C2=NC(C3(C4=CC=CC(Br)=C4)CC3)=NO2)C[NH2+]CCO1	REAL300012102628	0	40	0.0	-57.86	341.41	6.63	-51.23
O=C([O-])C1(C2=NC(C3=CC=C(OCC(F)F)C=N3)=NO2)C[NH2+]CCO1	REAL300012102630	0	39	0.0	-64.08	336.06	2.13	-61.95
O=C([O-])C1(C2=NC(C3=CC=NC(OC(F)F)=C3)=NO2)C[NH2+]CCO1	REAL300012102632	0	36	0.0	-58.65	314.74	0.91	-57.74
O=C([O-])C1(C2=NC(C3=CC(OC(F)F)=CC=C3F)=NO2)C[NH2+]CCO1	REAL300012102634	0	37	0.0	-60.89	319.96	3.44	-57.45
O=C([O-])C1(C2=NC(C(F)C3=CC=C(C(F)(F)F)C=C3)=NO2)C[NH2+]CCO1	REAL300012102636	0	39	0.0	-54.92	342.38	5.04	-49.88
COC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC(C)=N1	REAL300012102638	0	39	0.0	-58.86	325.25	0.82	-58.04
O=C([O-])C1(C2=NC(C3(C4=CC=C(F)C=C4)CCCCC3)=NO2)C[NH2+]CCO1	REAL300012102640	0	49	0.0	-56.41	371.16	6.73	-49.68
CC1=NC2=C(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)C=CC=C2N1	REAL300012102642	0	39	0.0	-62.68	323.64	3.11	-59.57
O=C([O-])C1(C2=NC(C3=CC=CC4=NC=CC=C34)=NO2)C[NH2+]CCO1	REAL300012102644	0	38	0.0	-58.56	311.76	4.09	-54.47
O=C([O-])C1(C2=NC(C3(C4=CC=CC=C4F)CCCC3)=NO2)C[NH2+]CCO1	REAL300012102646	0	46	0.0	-58.81	357.96	5.69	-53.12
O=C([O-])C1(C2=NC(CC3=CC(F)=CC(Br)=C3)=NO2)C[NH2+]CCO1	REAL300012102648	0	36	0.0	-55.86	326.35	4.75	-51.11
CC1=CC=C(Br)C=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102650	0	36	0.0	-57.56	312.90	5.01	-52.55
COCCCC(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=C(Cl)C=C1	REAL300012102652	0	49	0.0	-54.63	406.49	5.53	-49.10
O=C([O-])C1(C2=NC(C3=CC(=O)NC4=CC=CC=C43)=NO2)C[NH2+]CCO1	REAL300012102653	0	39	0.0	-63.84	322.44	2.75	-61.09
CC1=CC(=O)C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C2CCCN21	REAL300012102655	0	43	0.0	-79.92	342.86	4.78	-75.14
CCN1C=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(=O)NC1=O	REAL300012102657	0	39	0.0	-70.33	326.39	0.85	-69.48
O=C([O-])C1(C2=NC(C3(C4=CC=CC=C4)CCOCC3)=NO2)C[NH2+]CCO1	REAL300012102659	0	47	0.0	-56.00	357.27	3.88	-52.12
O=C([O-])C1(C2=NC(C3(NC(=O)C4=CC=CC=C4)CCC3)=NO2)C[NH2+]CCO1	REAL300012102661	0	47	0.0	-67.41	374.03	4.81	-62.60
CC1=CC=C(C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(C)C)C=C1	REAL300012102663	0	48	0.0	-54.72	374.47	6.04	-48.68
O=C([O-])C1(C2=NC(C3(NC(=O)C4=CC=CC=C4)CCCC3)=NO2)C[NH2+]CCO1	REAL300012102665	0	50	0.0	-65.43	388.02	5.20	-60.23
CC(C)(NC(=O)C1=CC=CC=C1)C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102667	0	46	0.0	-58.58	366.08	2.98	-55.60
CCC(NC(=O)C1=CC=CC=C1)C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102669	0	46	0.0	-60.19	367.72	3.11	-57.08
CC(C)C(NC(=O)C1=CC=CC=C1)C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102671	0	49	0.0	-60.90	389.19	3.74	-57.16
O=C([O-])C1(C2=NC(C(NC(=O)C3=CC=CC=C3)C3CC3)=NO2)C[NH2+]CCO1	REAL300012102673	0	47	0.0	-60.70	378.59	3.91	-56.79
CCC(C)(NC(=O)C1=CC=CC=C1)C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102675	0	49	0.0	-55.11	382.68	3.93	-51.18
CC1=CC=CC=C1C(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C(C)C	REAL300012102677	0	48	0.0	-55.60	370.96	5.85	-49.75
CC1=CC=CC(C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(C)C)=C1	REAL300012102679	0	48	0.0	-55.84	374.50	6.02	-49.82
O=C([O-])C1(C2=NC(C3(C4=CC=CC(C(F)(F)F)=C4)CC3)=NO2)C[NH2+]CCO1	REAL300012102681	0	43	0.0	-60.28	358.85	7.01	-53.27
CC1=CC=C(F)C=C1C1(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)CC1	REAL300012102683	0	43	0.0	-56.68	349.52	5.59	-51.09
COC1=CC=CC(C2(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)CC2)=C1	REAL300012102685	0	44	0.0	-60.70	349.62	5.30	-55.40
O=C([O-])C1(C2=NC(C3(C4=CC=CC=C4Br)CC3)=NO2)C[NH2+]CCO1	REAL300012102687	0	40	0.0	-54.59	344.58	5.44	-49.15
COC1=CC=CC(C2(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)CCC2)=C1	REAL300012102688	0	47	0.0	-61.57	366.12	5.34	-56.23
CC(C)(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=C(Cl)C=C1	REAL300012102690	0	42	0.0	-54.59	347.93	5.30	-49.29
O=C([O-])C1(C2=NC(C3(C4=C(F)C=CC=C4F)CCCC3)=NO2)C[NH2+]CCO1	REAL300012102692	0	46	0.0	-57.33	357.27	5.33	-52.00
O=C([O-])C1(C2=NC(C3(C4=CC=C(F)C=C4F)CCCC3)=NO2)C[NH2+]CCO1	REAL300012102694	0	46	0.0	-58.38	364.38	5.76	-52.62
O=C([O-])C1(C2=NC(C3(C4=CC=C(F)C=C4F)CCCCC3)=NO2)C[NH2+]CCO1	REAL300012102696	0	49	0.0	-57.01	375.32	6.19	-50.82
CC1=CC=C(C2(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)CCOCC2)C=C1	REAL300012102697	0	50	0.0	-56.17	378.69	4.56	-51.61
O=C([O-])C1(C2=NC(C3=CN(CC4=CC=CC=C4)N=N3)=NO2)C[NH2+]CCO1	REAL300012102699	0	42	0.0	-67.88	355.25	3.82	-64.06
O=C([O-])C1(C2=NC(C3=C(Cl)N=C4C=C(Cl)C=CN43)=NO2)C[NH2+]CCO1	REAL300012102701	0	36	0.0	-60.70	333.54	5.19	-55.51
CC1=CN2C(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)=CN=C2C=C1	REAL300012102703	0	39	0.0	-61.63	322.92	4.60	-57.03
O=C([O-])C1(C2=NC([C@@H]3CN4CCCCC4CO3)=NO2)C[NH2+]CCO1	REAL300012102705	0	46	0.0	-54.86	349.91	0.58	-54.28
CCCC1=NC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CO1	REAL300012102707	0	38	0.0	-56.79	317.82	0.33	-56.46
CC1=CC=C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)S1	REAL300012102709	0	36	0.0	-55.79	310.75	3.96	-51.83
O=C([O-])C1(C2=NC(C3=CC4=CC=CC=C4C=C3)=NO2)C[NH2+]CCO1	REAL300012102712	0	39	0.0	-57.12	322.64	5.78	-51.34
O=C([O-])C1(C2=NC(C3=CC=NC(C(F)(F)F)=C3)=NO2)C[NH2+]CCO1	REAL300012102714	0	35	0.0	-54.92	311.16	2.75	-52.17
COCC1=NC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CS1	REAL300012102716	0	39	0.0	-61.05	338.65	0.81	-60.24
O=C([O-])C1(C2=NC(CS(=O)(=O)C3=CC=CC=C3)=NO2)C[NH2+]CCO1	REAL300012102718	0	39	0.0	-60.91	337.88	1.09	-59.82
CC(F)(F)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1	REAL300012102721	0	39	0.0	-56.57	329.73	5.05	-51.52
O=C([O-])C1(C2=NC(C3=CC=C4CCCC4=C3)=NO2)C[NH2+]CCO1	REAL300012102723	0	40	0.0	-56.55	321.83	5.42	-51.13
CC1=CC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1Br	REAL300012102725	0	39	0.0	-56.12	337.85	5.26	-50.86
O=C([O-])C1(C2=NC(C3=CN4C=CC(Br)=CC4=N3)=NO2)C[NH2+]CCO1	REAL300012102727	0	36	0.0	-66.39	325.35	4.58	-61.81
COCC1(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)CCCCC1	REAL300012102728	0	46	0.0	-56.61	344.52	3.17	-53.44
CC1=CC=CC(C2(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)CC2)=C1	REAL300012102730	0	43	0.0	-56.44	341.53	6.68	-49.76
COCCCOC1=CN=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=N1	REAL300012102732	0	45	0.0	-60.45	375.68	-0.95	-61.40
CC(C)(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=CC=C1Br	REAL300012102734	0	42	0.0	-53.96	342.02	4.90	-49.06
CC(C)(CCC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)[N+](=O)[O-]	REAL300012102735	0	40	0.0	-56.63	322.09	3.10	-53.53
O=C([O-])C1(C2=NC(C3=CC=C4N=C(C5=CSC=N5)NC4=C3)=NO2)C[NH2+]CCO1	REAL300012102737	0	42	0.0	-59.78	368.53	2.99	-56.79
O=C([O-])C1(C2=NC(C3=CC=C4NC(C5=CSC=N5)=NC4=C3)=NO2)C[NH2+]CCO1	REAL300012102737	1	42	0.0	-59.40	368.60	2.99	-56.41
CC1=CN2C(=NC(C)=C2C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)S1	REAL300012102738	0	39	0.0	-60.05	334.44	5.09	-54.96
CCSC1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102740	0	40	0.0	-56.27	337.93	5.38	-50.89
CC1=NSC(C)=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102742	0	35	0.0	-55.63	295.49	3.43	-52.20
COC1=NC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(N)=N1	REAL300012102744	0	37	0.0	-57.17	308.10	-2.50	-59.67
NC1=NC(C2CCCC2)=NC=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102746	0	46	0.0	-56.74	362.23	3.30	-53.44
CC(C)C1=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)OC=C1	REAL300012102748	0	39	0.0	-60.21	316.71	3.73	-56.48
CC(C)C1=NN(C)C=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102750	0	42	0.0	-57.39	339.65	3.33	-54.06
O=C([O-])C1(C2=NC(C3=CC(Br)=CC=C3F)=NO2)C[NH2+]CCO1	REAL300012102752	0	33	0.0	-57.90	302.03	4.48	-53.42
O=C([O-])C1(C2=NC(C3=CC=C(Cl)C=C3F)=NO2)C[NH2+]CCO1	REAL300012102754	0	33	0.0	-58.25	297.75	4.38	-53.87
O=C([O-])C1(C2=NC(C3=CC=C(F)C=C3F)=NO2)C[NH2+]CCO1	REAL300012102756	0	33	0.0	-58.38	287.42	3.93	-54.45
CC(C)(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=CC2=CC=CC=C21	REAL300012102758	0	48	0.0	-57.08	367.53	6.43	-50.65
O=C([O-])C1(C2=NC(C3=CC=CC(OCC4=CC=CC=C4)=N3)=NO2)C[NH2+]CCO1	REAL300012102760	0	46	0.0	-63.48	385.57	4.11	-59.37
COC1=CC=CC=C1C1(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)CC1	REAL300012102762	0	44	0.0	-59.36	355.26	4.59	-54.77
O=C([O-])C1(C2=NC(COC3=CC=C(Cl)C(F)=C3)=NO2)C[NH2+]CCO1	REAL300012102764	0	37	0.0	-60.12	329.43	3.55	-56.57
CC(C)(C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300012102766	0	45	0.0	-54.00	370.55	5.78	-48.22
O=C([O-])C1(C2=NC(CCC3CCOCC3)=NO2)C[NH2+]CCO1	REAL300012102768	0	43	0.0	-55.12	332.04	2.65	-52.47
CC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1Cl	REAL300012102770	0	36	0.0	-54.77	311.71	4.61	-50.16
CS(=O)(=O)C1(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)CCCC1	REAL300012102772	0	42	0.0	-59.89	332.69	0.79	-59.10
O=C([O-])C1(C2=NC(C3=CC=C(N4C=NC=N4)C([N+](=O)[O-])=C3)=NO2)C[NH2+]CCO1	REAL300012102774	0	41	0.0	-62.81	353.06	7.15	-55.66
O=C([O-])C1(C2=NC(C3CCC(C4=CC=CC=C4)CC3)=NO2)C[NH2+]CCO1	REAL300012102776	0	49	0.0	-55.49	367.71	7.19	-48.30
O=C([O-])C1(C2=NC(C3CSC4=CC=CC=C43)=NO2)C[NH2+]CCO1	REAL300012102778	0	38	0.0	-55.88	320.86	4.43	-51.45
CN(C)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1Br	REAL300012102780	0	41	0.0	-57.14	351.16	3.95	-53.19
O=C([O-])C1(C2=NC(C3=CC=CC(N4CCOCC4)=C3)=NO2)C[NH2+]CCO1	REAL300012102781	0	46	0.0	-57.26	360.25	2.34	-54.92
O=C([O-])C1(C2=NC(COC3=CC=C(F)C(Cl)=C3)=NO2)C[NH2+]CCO1	REAL300012102783	0	37	0.0	-60.00	329.43	3.55	-56.45
O=C([O-])C1(C2=NC(C3=CC=CC=C3N3C=CC(C4CC4)=N3)=NO2)C[NH2+]CCO1	REAL300012102785	0	47	0.0	-65.52	381.01	6.80	-58.72
O=C([O-])C1(C2=NC(C3(C4=CC=CC(Cl)=C4)CCCCC3)=NO2)C[NH2+]CCO1	REAL300012102787	0	49	0.0	-57.39	381.76	7.19	-50.20
O=C([O-])C1(C2=NC(C3=CC=C([N+](=O)[O-])O3)=NO2)C[NH2+]CCO1	REAL300012102788	0	32	0.0	-64.45	288.22	2.19	-62.26
CC1=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=CC=C1[N+](=O)[O-]	REAL300012102790	0	38	0.0	-56.02	317.15	5.02	-51.00
CC(C)(CC1=CC=C(Cl)C=C1)C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102792	0	45	0.0	-55.51	368.27	5.98	-49.53
CC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC([N+](=O)[O-])=C1	REAL300012102794	0	38	0.0	-61.82	325.90	4.85	-56.97
CC1=CC=C(Br)C=C1CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102796	0	39	0.0	-54.38	334.34	5.62	-48.76
CC1(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)CC1(Cl)Cl	REAL300012102798	0	36	0.0	-54.43	315.50	3.76	-50.67
CC1=CC=C(F)C(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102801	0	39	0.0	-55.56	325.61	4.78	-50.78
O=C([O-])C1(C2=NC(C3=NNC(C4CC4)=N3)=NO2)C[NH2+]CCO1	REAL300012102804	0	36	0.0	-62.43	303.95	1.96	-60.47
COCC1(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)CCCC1	REAL300012102806	0	43	0.0	-56.88	332.32	2.72	-54.16
CCNS(=O)(=O)C1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102808	0	44	0.0	-59.33	373.92	0.54	-58.79
CC1=CC(C)=CC(C2(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)CC2)=C1	REAL300012102810	0	46	0.0	-58.09	362.69	7.33	-50.76
O=C([O-])C1(C2=NC(C3=CC(F)=C(N4CCOCC4)C(F)=C3)=NO2)C[NH2+]CCO1	REAL300012102812	0	46	0.0	-56.22	372.43	2.63	-53.59
CC(F)(F)C1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102813	0	39	0.0	-56.65	329.46	5.03	-51.62
CC1=C(C)C=C2C(=C1)N=CN2CC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102816	0	45	0.0	-63.36	364.27	6.18	-57.18
CC1=CN(C2=CC=C(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)C=C2)N=C1	REAL300012102818	0	43	0.0	-57.61	356.76	5.41	-52.20
O=C([O-])C1(C2=NC(C3=C(Cl)SC=C3)=NO2)C[NH2+]CCO1	REAL300012102820	0	30	0.0	-57.61	280.14	3.51	-54.10
CS(=O)(=O)C1=CC=CN=C1C1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102822	0	38	0.0	-63.47	318.85	-0.11	-63.58
CC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)N=C1C	REAL300012102824	0	38	0.0	-62.79	310.27	2.79	-60.00
CC1=NN(C2=CC=C(C3=NOC(C4(C(=O)[O-])C[NH2+]CCO4)=N3)C=C2)C=C1	REAL300012102826	0	43	0.0	-58.34	356.55	5.32	-53.02
CC1(C)CCC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C2=CC=CC=C21	REAL300012102828	0	49	0.0	-57.16	370.63	5.95	-51.21
O=C([O-])C1(C2=NC(CC3COC4=CC=CC=C4O3)=NO2)C[NH2+]CCO1	REAL300012102830	0	42	0.0	-60.49	342.44	3.31	-57.18
CN1N=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1Cl	REAL300012102832	0	33	0.0	-56.49	294.19	1.70	-54.79
CSC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)N=C1	REAL300012102834	0	36	0.0	-60.86	311.93	2.60	-58.26
CC1=C(C)C=C2C(=C1)N=CN2CCC1=NOC(C2(C(=O)[O-])C[NH2+]CCO2)=N1	REAL300012102836	0	48	0.0	-61.36	385.74	6.86	-54.50
COC1=CC=C(Cl)C=C1C1(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)CC1	REAL300012102838	0	44	0.0	-57.60	372.01	5.10	-52.50
COCCC1(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)CCC1	REAL300012102840	0	43	0.0	-55.68	333.02	3.37	-52.31
O=C([O-])C1(C2=NC(C34CC5CC(CC(Cl)(C5)C3)C4)=NO2)C[NH2+]CCO1	REAL300012102842	0	47	0.0	-57.40	356.45	5.52	-51.88
COC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=NC=N1	REAL300012102844	0	35	0.0	-59.37	298.90	-0.12	-59.49
COC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C(Cl)=C1OC	REAL300012102846	0	41	0.0	-56.82	350.56	3.54	-53.28
O=C([O-])C1(C2=NC(C3=CC(F)=CC(C(F)(F)F)=C3)=NO2)C[NH2+]CCO1	REAL300012102848	0	36	0.0	-54.34	321.40	4.57	-49.77
CSC1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=N1	REAL300012102850	0	36	0.0	-61.02	315.11	2.79	-58.23
CC1=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=CC=C1N1C=CC=N1	REAL300012102852	0	43	0.0	-58.08	355.75	5.68	-52.40
O=C([O-])C1(C2=NC(C3(C4=CC=CC=C4F)CC3)=NO2)C[NH2+]CCO1	REAL300012102854	0	40	0.0	-56.03	332.48	5.27	-50.76
CS(=O)(=O)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)O1	REAL300012102856	0	36	0.0	-70.64	321.05	-0.87	-71.51
CS(=O)(=O)C1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)S1	REAL300012102858	0	36	0.0	-65.86	330.03	0.11	-65.75
O=C([O-])C1(C2=NC(COC3=CC=CC(Cl)=C3Cl)=NO2)C[NH2+]CCO1	REAL300012102860	0	37	0.0	-62.85	338.34	3.99	-58.86
O=C([O-])C1(C2=NC(C3=CN=C(C4=CC=CN=C4)N=C3)=NO2)C[NH2+]CCO1	REAL300012102862	0	40	0.0	-57.23	340.90	2.99	-54.24
CS(=O)(=O)C1=CC=CC(CC2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1	REAL300012102864	0	42	0.0	-64.72	359.35	1.58	-63.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2CC3=CC=CC=C3C2=O)=N1	REAL300012102866	0	36	0.0	-46.11	311.87	2.56	-43.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300012102867	0	34	0.0	-43.93	305.08	2.60	-41.33
CCCC1=C(CC)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012102868	0	40	0.0	-33.34	339.73	5.01	-28.33
CC1=C(C)C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C2N1	REAL300012102869	0	38	0.0	-35.46	319.18	3.63	-31.83
CC1=CC=CC(CSCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012102870	0	38	0.0	-37.76	334.51	5.13	-32.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3C=NN=N3)=C2)=N1	REAL300012102871	0	33	0.0	-44.00	294.79	2.58	-41.42
CC1CCC2=C(C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)C1	REAL300012102872	0	38	0.0	-33.47	321.33	4.63	-28.84
CCN1N=NC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C21	REAL300012102873	0	36	0.0	-39.14	312.24	1.75	-37.39
CCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012102874	0	39	0.0	-36.60	326.98	2.56	-34.04
CNC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1[N+](=O)[O-]	REAL300012102875	0	35	0.0	-38.16	306.75	2.13	-36.03
CC(C)C1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102876	0	41	0.0	-34.68	338.16	5.52	-29.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(O)C3=CC=CC=C3C=C2)=N1	REAL300012102877	0	35	0.0	-36.45	300.24	2.82	-33.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC3=CC=CC=C3C(=O)O2)=N1	REAL300012102878	0	35	0.0	-42.35	302.48	3.35	-39.00
CN(C)C1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102879	0	40	0.0	-35.62	330.35	4.01	-31.61
CC(=O)NC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102880	0	38	0.0	-41.57	324.78	1.99	-39.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC3=CC=CC=C3N2)=N1	REAL300012102881	0	37	0.0	-39.05	316.15	2.60	-36.45
COC1=CC=C(C)C=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102882	0	39	0.0	-35.21	327.78	3.61	-31.60
CC(C)CC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102883	0	43	0.0	-35.50	349.56	5.80	-29.70
CCOC1=CC=CC=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102884	0	39	0.0	-35.24	328.24	3.88	-31.36
CC(C)COC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012102885	0	41	0.0	-34.30	339.42	4.14	-30.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(F)C=CC=C3S2)=N1	REAL300012102886	0	31	0.0	-35.22	290.47	3.86	-31.36
CC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Cl	REAL300012102887	0	35	0.0	-36.12	313.43	4.71	-31.41
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)NC2=CC=C(C)C=C12	REAL300012102888	0	38	0.0	-34.88	318.06	3.43	-31.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CO3)S2)=N1	REAL300012102889	0	32	0.0	-36.08	299.60	3.29	-32.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3C=CN=C3)=C2)=N1	REAL300012102890	0	35	0.0	-39.35	302.41	4.80	-34.55
CC1=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=CC=C1[N+](=O)[O-]	REAL300012102891	0	36	0.0	-42.35	305.95	4.04	-38.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC(F)=CC=C3N=C2)=N1	REAL300012102892	0	33	0.0	-36.83	294.21	2.88	-33.95
CCC(C)OC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102893	0	41	0.0	-34.61	336.45	4.08	-30.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3CCCCC3)N=C2)=N1	REAL300012102894	0	41	0.0	-36.31	331.78	3.42	-32.89
COCCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102895	0	39	0.0	-36.33	331.39	1.92	-34.41
CC(CSC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102896	0	38	0.0	-35.36	327.49	4.87	-30.49
CC(C)C(CC1CCCCC1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102897	0	49	0.0	-32.88	361.63	5.60	-27.28
CN(C)C1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102898	0	42	0.0	-36.03	341.42	4.31	-31.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C3SCCN3C2=O)=N1	REAL300012102899	0	32	0.0	-40.58	290.05	2.02	-38.56
CC1=CC2=CC=CC=C2N1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102900	0	38	0.0	-40.00	321.08	4.84	-35.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C=NC3=CC=CC=C32)=N1	REAL300012102901	0	37	0.0	-42.18	317.25	4.69	-37.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(C3=CC=CC=C3)=C2)=N1	REAL300012102902	0	35	0.0	-37.31	305.18	2.23	-35.08
NC(=O)COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102903	0	36	0.0	-43.38	314.49	-0.17	-43.55
CC(=O)C1=C(C)OC(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012102904	0	39	0.0	-39.59	333.57	3.41	-36.18
CCN1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C21	REAL300012102905	0	38	0.0	-35.83	322.91	5.02	-30.81
COCCN1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=CC1=O	REAL300012102906	0	37	0.0	-40.58	322.30	-0.60	-41.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C3NC=CC3=C2)=N1	REAL300012102907	0	38	0.0	-38.03	321.27	3.94	-34.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC3=C(Cl)C=CC=C32)=N1	REAL300012102908	0	35	0.0	-34.91	308.04	4.63	-30.28
COC(=O)C1=CC=CC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012102909	0	37	0.0	-42.27	323.22	3.77	-38.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CNC(Br)=C2)=N1	REAL300012102910	0	26	0.0	-36.59	253.89	0.76	-35.83
COC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1F	REAL300012102911	0	36	0.0	-39.62	313.71	2.97	-36.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C3=NNC=N3)=C2)=N1	REAL300012102912	0	34	0.0	-39.68	301.59	3.29	-36.39
CC1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)NC2=CC(F)=C1	REAL300012102913	0	35	0.0	-35.83	305.87	2.91	-32.92
CC1=CC=C2NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC2=C1C	REAL300012102914	0	38	0.0	-35.08	317.01	3.41	-31.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=CC3=CC=CN=C32)=N1	REAL300012102915	0	33	0.0	-37.16	291.92	3.13	-34.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3)N=C2)=N1	REAL300012102916	0	34	0.0	-38.85	302.54	2.01	-36.84
NC(=O)NCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102917	0	37	0.0	-40.98	321.59	-1.36	-42.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C3CCCCC3=C2)=N1	REAL300012102918	0	41	0.0	-35.90	331.11	5.60	-30.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3CCCC3)C2)=N1	REAL300012102919	0	42	0.0	-41.52	333.20	2.80	-38.72
CC(C)OCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102920	0	41	0.0	-34.60	343.67	3.87	-30.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC(F)=CC=C3S2)=N1	REAL300012102921	0	31	0.0	-35.27	290.57	3.86	-31.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSCC2=CC=CS2)=N1	REAL300012102922	0	32	0.0	-37.86	303.33	3.55	-34.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC3=CC=CC=C3O2)=N1	REAL300012102923	0	36	0.0	-40.23	312.24	0.87	-39.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)C2=CC=CS2)=N1	REAL300012102924	0	35	0.0	-43.35	317.13	0.58	-42.77
CCCCC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102925	0	43	0.0	-35.63	354.29	6.11	-29.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3OCCCOC3=C2)=N1	REAL300012102926	0	37	0.0	-36.05	309.30	2.37	-33.68
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=CC=C(F)C=C12	REAL300012102927	0	34	0.0	-36.57	299.54	3.40	-33.17
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=C(F)C=CC=C12	REAL300012102928	0	34	0.0	-40.42	299.47	3.40	-37.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=CC=N3)C=C2)=N1	REAL300012102929	0	35	0.0	-38.02	304.79	3.61	-34.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=NC3=CC=CC=C3O2)=N1	REAL300012102930	0	34	0.0	-39.16	303.08	0.83	-38.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3NC(=O)COC3=C2)=N1	REAL300012102931	0	34	0.0	-38.92	297.17	-0.33	-39.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3OCC(=O)NC3=C2)=N1	REAL300012102932	0	34	0.0	-38.79	297.21	-0.34	-39.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)C2=CSC=C2)=N1	REAL300012102933	0	35	0.0	-44.93	316.32	0.49	-44.44
COC1=CC=C(OC)C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012102934	0	39	0.0	-36.95	326.19	1.75	-35.20
COC1=CC=C(SCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102935	0	36	0.0	-38.13	316.67	2.84	-35.29
CCOC1=CC=CC=C1CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102936	0	41	0.0	-35.83	340.08	4.18	-31.65
CC(C)C1=CC=C(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102937	0	41	0.0	-37.30	337.08	3.86	-33.44
CC(=O)NCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102938	0	38	0.0	-40.21	328.68	1.44	-38.77
CC1=C2NC=C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=CC=C1	REAL300012102939	0	38	0.0	-37.78	321.57	3.82	-33.96
CC(=CC1=CC=CC=C1Cl)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102940	0	35	0.0	-34.95	308.48	4.58	-30.37
CC(=CC1=CC=CC(Cl)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102941	0	35	0.0	-35.42	311.23	4.71	-30.71
CCOC1=CC=C(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102942	0	39	0.0	-39.12	328.23	2.15	-36.97
CC1=CC(C)=C(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C1	REAL300012102943	0	41	0.0	-36.08	340.09	4.13	-31.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)CC2=CC=CC=C2)=N1	REAL300012102944	0	38	0.0	-40.00	328.09	1.49	-38.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C3OCCO3)=C2)=N1	REAL300012102945	0	37	0.0	-35.50	313.90	2.05	-33.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3)C=N2)=N1	REAL300012102946	0	34	0.0	-39.65	300.93	4.02	-35.63
CCC(C)(C)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102947	0	43	0.0	-33.39	336.82	5.21	-28.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2COC3=CC=C(F)C=C3C2)=N1	REAL300012102948	0	36	0.0	-36.89	306.44	2.95	-33.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(Cl)C=C3)CC2)=N1	REAL300012102949	0	35	0.0	-36.52	306.97	5.53	-30.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC=C3)CCCC2)=N1	REAL300012102950	0	41	0.0	-34.62	323.32	5.46	-29.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C3OCCOC3=C2)=N1	REAL300012102951	0	37	0.0	-40.38	312.92	2.27	-38.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)N=C3C=CC=CN32)=N1	REAL300012102952	0	31	0.0	-40.45	287.09	3.40	-37.05
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OC)=C1C	REAL300012102953	0	39	0.0	-35.50	324.10	1.84	-33.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=NN=N3)C=C2)=N1	REAL300012102954	0	33	0.0	-42.88	294.65	2.60	-40.28
CC1=CC=C2C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=COC2=C1	REAL300012102955	0	37	0.0	-39.21	317.69	4.16	-35.05
CC(=O)C1=CC=CC(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012102956	0	37	0.0	-45.66	318.15	2.34	-43.32
CC(C)C1=CC=CC=C1OCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102957	0	41	0.0	-37.29	335.49	3.96	-33.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=CC(C(F)(F)F)=N2)=N1	REAL300012102958	0	31	0.0	-46.22	290.57	1.29	-44.93
CC1=CC=C(SCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C1	REAL300012102959	0	38	0.0	-36.83	327.11	4.79	-32.04
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1Cl	REAL300012102960	0	37	0.0	-33.77	309.12	4.03	-29.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2OCCC3=CC=CC=C32)=N1	REAL300012102961	0	39	0.0	-35.94	317.80	3.18	-32.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=CC=CO3)S2)=N1	REAL300012102962	0	31	0.0	-36.85	294.84	1.43	-35.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC3=C2OCC(=O)N3)=N1	REAL300012102963	0	34	0.0	-39.52	295.12	0.44	-39.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CCCC3=CC=CC=C32)=N1	REAL300012102964	0	41	0.0	-35.34	324.95	5.31	-30.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CCC3=CC=CC=C3C2)=N1	REAL300012102965	0	41	0.0	-37.43	328.70	5.54	-31.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Br)C=CO2)=N1	REAL300012102966	0	25	0.0	-36.18	246.99	0.93	-35.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=COC=C3)=N2)=N1	REAL300012102968	0	31	0.0	-38.09	295.02	1.12	-36.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCCCC2=CC=CS2)=N1	REAL300012102969	0	40	0.0	-36.47	344.63	5.34	-31.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=CC=C3)N=C2)=N1	REAL300012102970	0	35	0.0	-38.80	304.57	4.49	-34.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012102971	0	36	0.0	-43.29	318.12	4.57	-38.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C3OCC(=O)NC3=C2)=N1	REAL300012102972	0	33	0.0	-40.56	292.25	-3.45	-44.01
CC1=NC(CC(C)C)=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012102973	0	39	0.0	-34.70	332.08	2.91	-31.79
COC1=CC=CC(OC)=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102974	0	39	0.0	-35.56	324.72	1.85	-33.71
CC1=NN(C)C(C)=C1CC(C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102975	0	43	0.0	-38.82	342.75	2.86	-35.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3CCC3)C=C2)=N1	REAL300012102976	0	39	0.0	-34.79	324.39	4.02	-30.77
CC(CCC1=CC=CC(F)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102977	0	40	0.0	-37.11	335.36	5.20	-31.91
CC1=CC2=C(C=C1C)OC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2	REAL300012102978	0	39	0.0	-36.56	320.95	3.49	-33.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCSC3=CC=CC=C32)=N1	REAL300012102979	0	36	0.0	-35.63	306.41	4.24	-31.39
COC1=CC=C(C(C)CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102980	0	41	0.0	-37.41	334.53	3.52	-33.89
COC1=CC=C(CC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102981	0	41	0.0	-36.67	336.10	3.61	-33.06
COC1=CC=C(C(C)(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102982	0	41	0.0	-35.35	330.94	3.19	-32.16
CC1=CC=C(SCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102983	0	38	0.0	-36.09	330.10	5.02	-31.07
CCCCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102984	0	41	0.0	-34.32	340.76	4.23	-30.09
CCOC1=CC=CC=C1OCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102985	0	39	0.0	-40.18	327.98	2.75	-37.43
COC1=CC=CC=C1OCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102986	0	39	0.0	-37.92	327.62	2.62	-35.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(CCCCC3)S2)=N1	REAL300012102987	0	38	0.0	-33.56	317.80	4.64	-28.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CNC3=CC=CC=C23)=N1	REAL300012102988	0	38	0.0	-38.11	321.81	3.96	-34.15
CC1=CC(C)=NC(SCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012102989	0	36	0.0	-38.90	322.90	2.34	-36.56
CC1CCC2=C(C1)SC=C2C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012102990	0	38	0.0	-33.22	317.86	4.44	-28.78
CC1=CC=C(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102991	0	39	0.0	-37.43	331.53	4.40	-33.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=NC(Cl)=C2)=N1	REAL300012102992	0	27	0.0	-36.07	275.39	1.50	-34.57
CC1=CC=C(OCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102993	0	41	0.0	-38.68	341.28	4.16	-34.52
CC1=CC=CC(OCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012102994	0	41	0.0	-38.83	341.28	4.16	-34.67
CC(C)COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012102995	0	41	0.0	-34.15	339.37	4.14	-30.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC(F)F)C=C2)=N1	REAL300012102996	0	32	0.0	-36.82	285.66	2.00	-34.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C3CCCC3=C2)=N1	REAL300012102997	0	39	0.0	-38.06	322.44	3.84	-34.22
CC(C)(C)C1=NC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CS1	REAL300012102998	0	39	0.0	-37.11	335.15	2.63	-34.48
CC(=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1Cl	REAL300012102999	0	35	0.0	-34.46	313.08	4.65	-29.81
COC1=CC=CC=C1C(C)=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103000	0	39	0.0	-34.98	326.97	3.56	-31.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSCC2CCCCO2)=N1	REAL300012103001	0	39	0.0	-37.39	328.10	2.59	-34.80
CC(C)C(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1	REAL300012103002	0	43	0.0	-35.26	333.30	5.08	-30.18
CCCCCS(=O)(=O)CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103003	0	39	0.0	-48.91	336.59	0.10	-48.81
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(CC(C)C)=N1	REAL300012103004	0	39	0.0	-34.52	330.84	2.74	-31.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=COC(C3=CC=CC=C3)=N2)=N1	REAL300012103005	0	34	0.0	-39.38	303.72	0.78	-38.60
COC(=O)NC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103006	0	36	0.0	-38.35	313.68	0.64	-37.71
CN(C)C(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103007	0	38	0.0	-41.15	319.00	2.27	-38.88
CN(C)C(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103008	0	38	0.0	-41.71	315.76	2.10	-39.61
COC1=CC=CC=C1C(C)CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103009	0	41	0.0	-37.01	332.94	3.60	-33.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=CC=C2Cl)=N1	REAL300012103010	0	28	0.0	-34.15	275.61	3.29	-30.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=CC(Cl)=C2)=N1	REAL300012103011	0	28	0.0	-33.83	279.94	3.43	-30.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300012103012	0	38	0.0	-35.20	320.58	5.84	-29.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=CC=C(F)C=C2)=N1	REAL300012103013	0	36	0.0	-38.30	316.52	3.79	-34.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(=O)C3=CC=CC=C3O2)=N1	REAL300012103014	0	33	0.0	-38.92	293.88	2.55	-36.37
COC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012103015	0	39	0.0	-40.76	327.16	2.31	-38.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC=C2[N+](=O)[O-])=N1	REAL300012103016	0	34	0.0	-40.43	303.75	4.18	-36.25
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1[N+](=O)[O-]	REAL300012103017	0	34	0.0	-41.15	301.90	3.17	-37.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=C(F)C=C2Cl)=N1	REAL300012103018	0	28	0.0	-34.99	271.53	3.70	-31.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012103019	0	34	0.0	-41.65	306.21	4.27	-37.38
CC1=CC=C(C(=O)NCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012103020	0	35	0.0	-37.61	317.46	0.60	-37.01
COC1=CC=CC=C1C1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012103021	0	39	0.0	-34.33	327.84	3.73	-30.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)CC2CCCCC2)=N1	REAL300012103022	0	44	0.0	-37.49	347.94	1.76	-35.73
CC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)NC(=O)C1CCCC1	REAL300012103023	0	44	0.0	-43.74	353.63	2.03	-41.71
CN(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C(=O)C1=CC=CS1	REAL300012103024	0	35	0.0	-42.91	301.98	1.13	-41.78
CCCC(=O)N1CCCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1	REAL300012103025	0	44	0.0	-41.85	348.11	2.97	-38.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=C([N+](=O)[O-])C=CC2=O)=N1	REAL300012103026	0	33	0.0	-46.70	300.41	2.09	-44.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(C3=CC=CC=C3)C2)=N1	REAL300012103027	0	36	0.0	-39.10	312.02	2.69	-36.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOC2=CC=CC=C2F)=N1	REAL300012103028	0	38	0.0	-41.84	326.10	3.56	-38.28
CCN1C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC2=CC=CC=C21	REAL300012103029	0	38	0.0	-35.28	318.99	4.68	-30.60
COC1=CC=CC=C1C(C)(C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103030	0	41	0.0	-34.92	326.27	3.73	-31.19
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C(C)(C)C)=N1	REAL300012103031	0	39	0.0	-34.43	331.20	2.56	-31.87
CC1=CN(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C12	REAL300012103032	0	38	0.0	-39.47	323.14	5.04	-34.43
CC1=CC=C2C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CNC2=C1	REAL300012103033	0	38	0.0	-37.85	321.69	3.83	-34.02
CC(C)C1=C([N+](=O)[O-])C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1	REAL300012103034	0	36	0.0	-38.05	321.16	1.38	-36.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)C2CCCCC2)=N1	REAL300012103035	0	44	0.0	-43.38	350.77	1.83	-41.55
CS(=O)(=O)C1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCCC1	REAL300012103036	0	37	0.0	-38.99	304.91	0.01	-38.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=CN=C3)N=N2)=N1	REAL300012103037	0	33	0.0	-45.77	295.18	2.87	-42.90
CC(C)OC1=CC=CC=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103038	0	41	0.0	-34.84	336.51	4.03	-30.81
CC1=C2C(=NN1)N=C(C)C=C2C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103039	0	36	0.0	-42.99	306.12	1.29	-41.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3C=CC=N3)=C2)=N1	REAL300012103040	0	35	0.0	-38.78	304.87	3.62	-35.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)CCC2CCCC2)=N1	REAL300012103041	0	44	0.0	-37.78	353.79	1.89	-35.89
CC1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCCC2=CC=CC=C21	REAL300012103042	0	41	0.0	-33.57	320.59	4.92	-28.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(C3=CC=NC=C3)=C2)=N1	REAL300012103043	0	33	0.0	-39.56	297.26	1.68	-37.88
CN1C=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C21	REAL300012103044	0	38	0.0	-37.88	322.76	4.90	-32.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=C(Cl)C=C2F)=N1	REAL300012103045	0	28	0.0	-35.10	273.55	3.33	-31.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOCC2=CC=CC=C2)=N1	REAL300012103046	0	41	0.0	-38.33	345.43	3.96	-34.37
CC1=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C2N1	REAL300012103047	0	38	0.0	-38.67	320.62	3.69	-34.98
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(Cl)C=C1	REAL300012103048	0	37	0.0	-34.84	318.20	4.40	-30.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC3=CC=CC=C23)=N1	REAL300012103049	0	34	0.0	-37.88	304.76	4.46	-33.42
COC1=CC=C(CCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103050	0	41	0.0	-38.70	340.91	3.98	-34.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(F)C=C2Cl)=N1	REAL300012103051	0	31	0.0	-38.50	287.35	3.82	-34.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(C3=CC=CS3)=C2)=N1	REAL300012103052	0	32	0.0	-36.61	298.59	1.38	-35.23
CCC(CC)N1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1=O	REAL300012103053	0	44	0.0	-42.49	345.14	3.51	-38.98
NC(=O)COC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103054	0	36	0.0	-44.14	314.54	-0.17	-44.31
CC(SCC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103055	0	38	0.0	-36.18	331.24	5.03	-31.15
CC(C)SC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103056	0	38	0.0	-34.00	324.36	4.82	-29.18
CCC(=O)NC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103057	0	38	0.0	-39.42	323.15	2.13	-37.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(F)C=C2F)=N1	REAL300012103058	0	32	0.0	-41.69	289.52	2.08	-39.61
CC1=CC=C(OCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C1	REAL300012103059	0	41	0.0	-36.38	339.85	4.14	-32.24
CC1=CC=CC(OCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1C	REAL300012103060	0	41	0.0	-36.53	335.45	4.01	-32.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=COC(Br)=C2)=N1	REAL300012103061	0	25	0.0	-34.62	249.91	1.10	-33.52
CC1=CC(C)=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C	REAL300012103062	0	41	0.0	-34.83	333.91	5.32	-29.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(C3=CC=CC=C3)=C2)=N1	REAL300012103063	0	37	0.0	-36.16	315.86	4.05	-32.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(Cl)=C3)CC2)=N1	REAL300012103064	0	35	0.0	-37.33	306.98	5.53	-31.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C3OCCC3=C2)=N1	REAL300012103065	0	39	0.0	-37.99	325.80	3.73	-34.26
COCCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012103066	0	38	0.0	-37.24	329.10	-0.66	-37.90
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC23CCC2=CC=CC=C23)=N1	REAL300012103067	0	39	0.0	-34.75	317.74	5.29	-29.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(F)(F)C2=CC=CC=C2F)=N1	REAL300012103068	0	31	0.0	-36.23	281.36	3.08	-33.15
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(Cl)C=C3N2)=N1	REAL300012103069	0	32	0.0	-35.21	295.33	2.72	-32.49
COC1=CC=C(COCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103070	0	39	0.0	-39.78	331.94	1.70	-38.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC=C3)=NO2)=N1	REAL300012103071	0	34	0.0	-38.68	301.99	3.43	-35.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC=C3)N=N2)=N1	REAL300012103072	0	34	0.0	-41.86	300.96	2.11	-39.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=CC=C(Cl)C=C2)=N1	REAL300012103073	0	37	0.0	-37.95	328.13	5.20	-32.75
COCCN1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=CC1=O	REAL300012103074	0	38	0.0	-40.53	325.77	1.22	-39.31
C[C@H](NC(=O)C1CCCCC1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103075	0	44	0.0	-38.22	349.60	1.82	-36.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)NCC2=CC=CO2)=N1	REAL300012103076	0	37	0.0	-39.52	324.80	-1.70	-41.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OCC3CC3)N=C2)=N1	REAL300012103077	0	38	0.0	-35.70	327.15	1.65	-34.05
CN(C)C(=O)CN1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=N1	REAL300012103078	0	37	0.0	-53.01	320.18	-0.74	-53.75
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=C(C)C=CC=C12	REAL300012103079	0	37	0.0	-37.52	314.47	4.00	-33.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(C3=CC=CC=C3)=C2)=N1	REAL300012103080	0	34	0.0	-37.48	302.02	3.42	-34.06
COC1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1F	REAL300012103081	0	38	0.0	-40.46	325.64	3.28	-37.18
CC(C)C1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103082	0	43	0.0	-34.99	350.13	5.83	-29.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=CN=C3)C=C2)=N1	REAL300012103083	0	35	0.0	-39.47	302.31	4.79	-34.68
CC1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Cl	REAL300012103084	0	37	0.0	-36.52	325.37	5.00	-31.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(C3=CC=CS3)=C2)=N1	REAL300012103085	0	31	0.0	-36.33	294.06	2.57	-33.76
CC1=NOC2=NC(C)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C12	REAL300012103086	0	35	0.0	-41.69	302.18	-0.31	-42.00
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC([N+](=O)[O-])=C1	REAL300012103087	0	34	0.0	-38.51	304.14	2.39	-36.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)NC2=CC=CC=C2)=N1	REAL300012103088	0	37	0.0	-39.82	317.97	0.06	-39.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C3OCCC3=C2)=N1	REAL300012103089	0	37	0.0	-37.44	313.92	3.44	-34.00
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC3=CC=CC=C3O2)=N1	REAL300012103090	0	35	0.0	-37.98	308.88	4.20	-33.78
CC(NC(=O)C1=CC=CS1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103091	0	35	0.0	-38.06	315.97	0.57	-37.49
CC1=NN(C)C2=C1C=C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)S2	REAL300012103092	0	34	0.0	-37.54	308.64	2.09	-35.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012103093	0	34	0.0	-46.48	305.09	2.60	-43.88
COC1=CC=CC=C1SCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103094	0	36	0.0	-39.32	315.90	2.89	-36.43
CCC(CC)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1	REAL300012103095	0	43	0.0	-33.92	330.68	5.93	-27.99
COC(=O)C1=CC=CC=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103096	0	37	0.0	-35.74	313.84	4.00	-31.74
CCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1[N+](=O)[O-]	REAL300012103097	0	36	0.0	-38.27	308.79	4.24	-34.03
[NH3+]C(CC(=O)[O-])C1=NOC(C23CC4CC(CC(F)(C4)C2)C3)=N1	REAL300012103098	0	42	0.0	-35.40	316.77	4.24	-31.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C23CC4CC(CC(F)(C4)C2)C3)=N1	REAL300012103098	1	42	0.0	-33.93	316.76	4.25	-29.68
CCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C2O1	REAL300012103099	0	37	0.0	-35.94	314.42	4.24	-31.70
CC(C)(C)C1CCC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012103100	0	49	0.0	-33.97	351.81	5.03	-28.94
CC1=CC(CCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(C)S1	REAL300012103101	0	40	0.0	-37.33	342.20	5.12	-32.21
CC(CCCC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103102	0	43	0.0	-35.20	350.45	5.92	-29.28
COC1=CC=CC(C(C)CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103103	0	41	0.0	-36.62	334.36	3.76	-32.86
CC(CCOC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103104	0	41	0.0	-36.54	337.43	3.96	-32.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3C=CN=N3)=C2)=N1	REAL300012103105	0	34	0.0	-42.60	298.83	2.32	-40.28
CC(CC1=CC=CC(Cl)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103106	0	37	0.0	-35.60	323.38	4.82	-30.78
CC(C)CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(=O)N1	REAL300012103107	0	40	0.0	-41.39	333.09	1.89	-39.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=CC(Cl)=C3O2)=N1	REAL300012103108	0	31	0.0	-39.25	291.60	3.30	-35.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C3=COC=C3)=C2)=N1	REAL300012103109	0	35	0.0	-36.33	305.41	4.01	-32.32
CCC1=CC=C(C(C)(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103110	0	43	0.0	-33.67	344.37	5.33	-28.34
CCCOC1=CC=CC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103111	0	41	0.0	-37.85	341.26	4.14	-33.71
CCC(C)OC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=N1	REAL300012103112	0	40	0.0	-35.16	336.60	1.78	-33.38
CC(C1=CC2=CC=CC=C2O1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103113	0	37	0.0	-37.76	317.04	4.21	-33.55
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1CCCC1	REAL300012103114	0	41	0.0	-37.10	331.51	3.44	-33.66
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1CCC(C)C	REAL300012103115	0	43	0.0	-36.82	348.43	3.44	-33.38
COCCOC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=N1	REAL300012103116	0	38	0.0	-36.99	329.32	-0.68	-37.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=COC3=CC(F)=CC=C23)=N1	REAL300012103117	0	34	0.0	-40.17	302.65	3.54	-36.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSCC2=CSC=N2)=N1	REAL300012103118	0	31	0.0	-39.05	297.74	1.43	-37.62
CCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1CC(C)C	REAL300012103119	0	43	0.0	-36.24	350.02	3.69	-32.55
CS(=O)(=O)CC1(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012103120	0	37	0.0	-42.36	314.84	-0.15	-42.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3)C=C2)=N1	REAL300012103121	0	35	0.0	-39.69	306.00	3.43	-36.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)C3=CC=CC=C3N2)=N1	REAL300012103122	0	32	0.0	-36.10	293.70	3.11	-32.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(C3=CC=CC=C3)=NO2)=N1	REAL300012103123	0	36	0.0	-40.18	311.35	2.69	-37.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(Cl)S2)=N1	REAL300012103124	0	31	0.0	-35.62	297.18	3.61	-32.01
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=C1C(=O)CCC2	REAL300012103125	0	37	0.0	-39.76	310.38	2.76	-37.00
CCCC1=NOC(CCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012103126	0	41	0.0	-41.99	345.96	1.65	-40.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC3=CC=CC=C23)=N1	REAL300012103127	0	38	0.0	-36.39	321.33	5.75	-30.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC(N3C=CC=N3)=C2)=N1	REAL300012103128	0	34	0.0	-38.41	302.35	2.90	-35.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3C=CC=N3)=N2)=N1	REAL300012103129	0	34	0.0	-40.47	302.51	2.79	-37.68
CC(CCC1=CC=CC=C1F)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103130	0	40	0.0	-35.69	334.54	5.17	-30.52
CCC1=CC=C(C(C)CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103131	0	43	0.0	-35.22	347.94	5.67	-29.55
CCC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(C)C=C1	REAL300012103132	0	43	0.0	-34.85	345.54	5.85	-29.00
CC(C)C(CC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103133	0	43	0.0	-34.48	346.11	5.46	-29.02
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC(Cl)=C1	REAL300012103134	0	37	0.0	-34.77	318.18	4.41	-30.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC(Cl)=CS2)=N1	REAL300012103135	0	31	0.0	-35.63	297.01	3.50	-32.13
CCC(OC1=CC=CC=C1C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103136	0	41	0.0	-34.23	330.12	3.84	-30.39
CC(CC1=CC=CC=C1Cl)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103137	0	37	0.0	-33.81	312.57	4.50	-29.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=NC(C3CC3)=NO2)=N1	REAL300012103138	0	39	0.0	-42.51	334.36	1.79	-40.72
CC(CSC(F)(F)F)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103139	0	31	0.0	-35.52	291.75	2.45	-33.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3CCCO3)S2)=N1	REAL300012103140	0	35	0.0	-36.93	310.96	0.56	-36.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(SC3=CC=CC=C3)CC2)=N1	REAL300012103141	0	36	0.0	-36.44	315.96	4.77	-31.67
CCCCCCCCOCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103142	0	46	0.0	-35.94	371.52	4.06	-31.88
CC1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCC2=CC=CC=C2C1	REAL300012103143	0	41	0.0	-34.65	323.11	4.94	-29.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(=O)C3=CC=CC=C32)=N1	REAL300012103144	0	33	0.0	-40.51	288.27	-0.20	-40.71
CC1=CC=C(C)C(SCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103145	0	38	0.0	-36.73	327.11	4.79	-31.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC=C2[N+](=O)[O-])=N1	REAL300012103146	0	34	0.0	-48.91	302.90	3.37	-45.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=CC=C3C=C2O)=N1	REAL300012103147	0	35	0.0	-35.73	301.28	2.39	-33.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012103148	0	31	0.0	-35.31	285.18	3.42	-31.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300012103149	0	31	0.0	-35.11	285.20	3.41	-31.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300012103150	0	34	0.0	-42.47	306.19	4.27	-38.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Cl)C=C2Cl)=N1	REAL300012103151	0	28	0.0	-33.69	275.61	3.29	-30.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300012103152	0	28	0.0	-35.62	278.36	3.39	-32.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC23CC4CC(CC(C4)C2)C3)=N1	REAL300012103153	0	45	0.0	-35.00	327.00	5.02	-29.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OC(F)F)=C2)=N1	REAL300012103154	0	32	0.0	-36.24	285.71	2.01	-34.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=C(F)C=CC=C2Cl)=N1	REAL300012103155	0	31	0.0	-34.74	287.76	3.56	-31.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(Cl)=C2Cl)=N1	REAL300012103156	0	28	0.0	-36.96	274.03	4.03	-32.93
CC(=O)NC1=CC=C(F)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103157	0	35	0.0	-41.03	307.38	1.65	-39.38
CC(=O)NC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1F	REAL300012103158	0	35	0.0	-38.52	308.47	1.42	-37.10
CC(OCC1CCCCO1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103159	0	42	0.0	-35.66	337.98	1.44	-34.22
CC1=CC=C(CCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103160	0	43	0.0	-35.84	354.31	6.14	-29.70
CC(C)OC1=CC=CC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103161	0	41	0.0	-38.00	337.68	3.96	-34.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=CC=C2[N+](=O)[O-])=N1	REAL300012103162	0	36	0.0	-38.77	309.43	4.28	-34.49
CC(C)(CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1	REAL300012103163	0	43	0.0	-36.20	337.43	5.24	-30.96
CC1=NSC2=NC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C12	REAL300012103164	0	32	0.0	-40.40	293.70	1.26	-39.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(C=C2O)CCCC3)=N1	REAL300012103165	0	39	0.0	-34.42	317.99	2.57	-31.85
CC1=CC=C(C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NN2)O1	REAL300012103166	0	35	0.0	-37.45	311.72	1.21	-36.24
CC1=CC=C(C2=NNC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)O1	REAL300012103166	1	35	0.0	-37.13	311.69	1.19	-35.94
CCN(CC)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012103167	0	41	0.0	-35.69	338.65	4.15	-31.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC(N3C=NC=N3)=C2)=N1	REAL300012103168	0	33	0.0	-39.34	297.15	4.25	-35.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=CC=C3NC2=O)=N1	REAL300012103169	0	34	0.0	-43.01	296.36	1.83	-41.18
CC1=CC=C2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)SC2=C1	REAL300012103170	0	36	0.0	-34.83	313.35	4.59	-30.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC3=CC=CN=C23)=N1	REAL300012103171	0	37	0.0	-38.04	318.84	4.13	-33.91
CC1=NN2C(=C1)N=CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=C2C	REAL300012103172	0	36	0.0	-38.64	306.22	2.29	-36.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CNC3=CC=C(F)C=C23)=N1	REAL300012103173	0	35	0.0	-38.74	306.82	3.24	-35.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC(F)=C(F)C=C2F)=N1	REAL300012103174	0	31	0.0	-38.22	286.56	3.27	-34.95
CC(C)(C)C1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103175	0	43	0.0	-35.63	344.61	5.43	-30.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CNC3=CC(F)=CC=C23)=N1	REAL300012103176	0	35	0.0	-39.32	306.73	3.24	-36.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=CC=N3)O2)=N1	REAL300012103177	0	35	0.0	-39.24	312.06	2.26	-36.98
CC(C)C1=CC=CC(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103178	0	41	0.0	-37.58	337.09	3.84	-33.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C(=O)C3CC3)C2)=N1	REAL300012103179	0	42	0.0	-39.56	336.58	2.92	-36.64
CC(=O)NC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1C	REAL300012103180	0	38	0.0	-40.00	321.03	2.21	-37.79
CCC(OC1=CC=CC(C)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103181	0	41	0.0	-34.32	331.48	3.77	-30.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=CN=N3)C=C2)=N1	REAL300012103182	0	34	0.0	-41.49	299.86	2.25	-39.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=CC(=O)C([N+](=O)[O-])=C2)=N1	REAL300012103183	0	33	0.0	-66.76	300.21	3.43	-63.33
CN1C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Cl)=C1Cl	REAL300012103184	0	29	0.0	-34.96	283.56	2.57	-32.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2CCCS2(=O)=O)=N1	REAL300012103185	0	36	0.0	-42.68	311.58	-1.55	-44.23
CC(C)CS(=O)(=O)CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103186	0	39	0.0	-42.35	330.34	0.13	-42.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CS(=O)(=O)C2CCCC2)=N1	REAL300012103187	0	37	0.0	-48.15	314.03	-0.31	-48.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCC(C(F)(F)F)C2)=N1	REAL300012103188	0	37	0.0	-35.31	308.32	3.52	-31.79
COC(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103189	0	36	0.0	-37.70	313.60	0.64	-37.06
CC1=CC(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2)=CC(C)=C1	REAL300012103190	0	41	0.0	-34.68	333.05	6.34	-28.34
CC(C)(C)N1C=C(C(=O)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012103191	0	39	0.0	-38.27	329.55	1.84	-36.43
CC1=NN(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C1Cl	REAL300012103192	0	34	0.0	-39.11	306.95	1.90	-37.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCSCC2=CC=CC=N2)=N1	REAL300012103193	0	37	0.0	-38.34	329.59	3.41	-34.93
CC(C)(C)NS(=O)(=O)CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103194	0	38	0.0	-44.84	313.47	-2.53	-47.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OCC3CC3)C=C2)=N1	REAL300012103195	0	39	0.0	-34.43	329.44	4.23	-30.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC2=CC=CC=C2[N+](=O)[O-])=N1	REAL300012103196	0	35	0.0	-45.40	304.94	2.17	-43.23
CCSCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103197	0	38	0.0	-34.64	334.06	5.19	-29.45
CC1=NN2C(=C1)N=C(C)C=C2C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103198	0	36	0.0	-39.45	311.69	2.46	-36.99
CN1N=NN=C1SCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103199	0	33	0.0	-44.91	303.40	0.48	-44.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOC2=CC=CC(F)=C2)=N1	REAL300012103200	0	38	0.0	-40.59	326.28	3.56	-37.03
NC(=O)C1=CC=C(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103201	0	36	0.0	-46.34	311.32	-1.26	-47.60
COCCOC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103202	0	39	0.0	-36.56	331.44	1.92	-34.64
CC1=NN(C)C2=NC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C12	REAL300012103203	0	36	0.0	-39.36	312.95	2.17	-37.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=CC=N3)N=C2)=N1	REAL300012103204	0	34	0.0	-38.27	302.10	2.92	-35.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOC2=CC=C(F)C=C2)=N1	REAL300012103205	0	38	0.0	-39.36	326.28	3.56	-35.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=C3C=CC=CN3C2=O)=N1	REAL300012103206	0	34	0.0	-42.35	301.75	2.61	-39.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(F)(F)F)N=C2)=N1	REAL300012103207	0	30	0.0	-38.21	281.16	1.65	-36.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(F)(F)F)C=N2)=N1	REAL300012103208	0	30	0.0	-37.65	280.94	1.50	-36.15
CC1=CC=CC=C1OCCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103209	0	41	0.0	-38.55	339.95	4.24	-34.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(F)C=C3)CCC2)=N1	REAL300012103210	0	38	0.0	-35.38	312.87	5.24	-30.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(F)=C3)CCC2)=N1	REAL300012103211	0	38	0.0	-36.00	318.21	4.73	-31.27
CC1=CC=CC(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC2)=C1	REAL300012103212	0	41	0.0	-34.69	327.87	5.85	-28.84
CC(C)C(=O)N1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012103213	0	44	0.0	-41.61	344.85	2.67	-38.94
COC1=CC=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)NC2=C1	REAL300012103214	0	36	0.0	-36.20	308.04	1.51	-34.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC(Cl)=CC=C3N2)=N1	REAL300012103215	0	32	0.0	-35.67	295.32	2.76	-32.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=CO3)=N2)=N1	REAL300012103216	0	31	0.0	-41.29	293.99	1.11	-40.18
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1[N+](=O)[O-]	REAL300012103217	0	34	0.0	-41.39	301.93	3.18	-38.21
COC1=C2OC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC2=CC=C1	REAL300012103218	0	35	0.0	-40.25	304.37	2.06	-38.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(CC3=CC=CC=C3)CCC2)=N1	REAL300012103219	0	41	0.0	-35.22	328.91	6.56	-28.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC(F)=CC=C3OC2)=N1	REAL300012103220	0	34	0.0	-35.61	298.72	2.98	-32.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C3CC(=O)NC3=C2)=N1	REAL300012103221	0	36	0.0	-41.61	310.38	1.55	-40.06
CCSC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103222	0	38	0.0	-37.40	330.09	4.98	-32.42
CC1=C(C)C=C2OC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC2=C1	REAL300012103223	0	37	0.0	-37.01	313.13	3.98	-33.03
CCCCS(=O)(=O)NCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103224	0	38	0.0	-44.36	330.00	-2.03	-46.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(SC3CC3)C=C2)=N1	REAL300012103225	0	36	0.0	-34.23	317.72	5.05	-29.18
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C2C=NN(C)C2=N1	REAL300012103226	0	36	0.0	-38.03	310.16	2.01	-36.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC(OC3CCC3)=C2)=N1	REAL300012103227	0	38	0.0	-35.33	321.95	1.62	-33.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COCCOC2=CC=CC=C2)=N1	REAL300012103228	0	39	0.0	-39.89	332.36	2.17	-37.72
COC1=CC=CC(COCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103229	0	39	0.0	-39.51	331.94	1.70	-37.81
CCOC1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103230	0	41	0.0	-36.90	341.26	4.13	-32.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3CCCO3)=N2)=N1	REAL300012103231	0	35	0.0	-35.66	309.95	0.32	-35.34
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N1N=NN=C1C(C)(C)C	REAL300012103232	0	41	0.0	-42.39	331.86	1.24	-41.15
COC1=CC=C(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C	REAL300012103233	0	39	0.0	-39.22	326.44	1.98	-37.24
NS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CO1	REAL300012103234	0	30	0.0	-43.30	284.80	-4.62	-47.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C3CCOC3)=C2)=N1	REAL300012103235	0	39	0.0	-35.32	321.23	3.02	-32.30
CCC(CC)N1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C	REAL300012103236	0	43	0.0	-37.39	350.96	3.59	-33.80
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C(C)C1CC1	REAL300012103237	0	41	0.0	-38.01	341.63	3.55	-34.46
CCC(CC)N1N=C(C)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103238	0	43	0.0	-35.30	349.30	3.50	-31.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C3CCCC3)N=CS2)=N1	REAL300012103239	0	37	0.0	-35.01	313.38	2.71	-32.30
CC1(CN2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=N2)COC1	REAL300012103240	0	38	0.0	-45.01	319.05	-0.46	-45.47
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC2=CC(F)=CC=C12	REAL300012103241	0	34	0.0	-36.11	305.24	4.31	-31.80
CC(=O)NC1=CC=CC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103242	0	38	0.0	-43.17	324.79	2.00	-41.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(N3C=NN=C3)C=C2)=N1	REAL300012103243	0	37	0.0	-45.66	319.33	6.08	-39.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(Cl)C=C3Cl)CCCCC2)=N1	REAL300012103244	0	44	0.0	-34.94	357.52	7.55	-27.39
COC(=O)N1CC2CCC1C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2	REAL300012103245	0	43	0.0	-41.76	339.58	2.75	-39.01
COC(=O)N1CC2C=CC1C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2	REAL300012103246	0	41	0.0	-38.95	331.49	2.01	-36.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CC=CC3=CC=CC=C32)=N1	REAL300012103247	0	41	0.0	-37.51	338.61	6.57	-30.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CC=CC(F)=C2F)=N1	REAL300012103248	0	35	0.0	-41.95	307.86	4.55	-37.40
COC1=CC=C(OC)C([C@@H]2C[C@H]2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103249	0	43	0.0	-37.26	353.90	3.10	-34.16
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C(Br)O1	REAL300012103250	0	28	0.0	-35.00	268.46	1.81	-33.19
CCC(CC1=CC=CC=C1C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103251	0	43	0.0	-34.25	342.36	5.43	-28.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC(C(F)(F)F)=CC=C3Cl)CC2)=N1	REAL300012103252	0	38	0.0	-36.03	349.94	5.66	-30.37
CC(=O)NC1=CC=C(C)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103253	0	38	0.0	-41.47	317.63	1.78	-39.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC(F)=CC(C(F)(F)F)=C3)CC2)=N1	REAL300012103254	0	38	0.0	-38.05	335.72	6.09	-31.96
CC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Br	REAL300012103255	0	34	0.0	-37.66	307.90	4.30	-33.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(F)(F)F)C(F)=C2)=N1	REAL300012103256	0	31	0.0	-36.31	290.73	3.48	-32.83
CC(C)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1[N+](=O)[O-]	REAL300012103257	0	39	0.0	-38.13	331.50	4.91	-33.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(CC3=CC=CC=C3Cl)CC2)=N1	REAL300012103258	0	38	0.0	-35.20	326.59	6.59	-28.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(CC3=CC=C(OC(F)(F)F)C=C3)CC2)=N1	REAL300012103259	0	42	0.0	-36.76	359.01	6.09	-30.67
NS(=O)(=O)C1=CC(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)=CC=C1	REAL300012103260	0	44	0.0	-53.38	377.76	-1.68	-55.06
CC(=O)NC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1C	REAL300012103261	0	38	0.0	-39.83	314.29	1.96	-37.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(CC3=CC=CC=C3F)CC2)=N1	REAL300012103262	0	38	0.0	-36.04	319.09	6.25	-29.79
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300012103263	0	37	0.0	-42.65	331.60	0.71	-41.94
CC(C)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Cl	REAL300012103264	0	37	0.0	-34.81	320.29	4.77	-30.04
CC1=CN(C2=C(F)C=CC=C2F)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103265	0	38	0.0	-41.04	332.29	4.13	-36.91
CC1=CSC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1I	REAL300012103266	0	28	0.0	-33.91	279.58	2.92	-30.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CNC(=O)C3=CC=CC=C23)=N1	REAL300012103267	0	34	0.0	-39.68	292.07	1.48	-38.20
CC1=CC=CC=C1C1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCC1	REAL300012103268	0	41	0.0	-34.77	324.43	4.93	-29.84
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(OCC2CC2)=C1	REAL300012103269	0	43	0.0	-35.00	356.70	4.33	-30.67
CC1=NC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C2N1CC1=CSC=C1	REAL300012103270	0	44	0.0	-39.63	385.91	6.38	-33.25
CC(OC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1)C1=CC=CC=C1	REAL300012103271	0	45	0.0	-35.91	374.56	6.32	-29.59
CC(C)(OC1=CC=C(Cl)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103272	0	38	0.0	-34.56	323.57	3.14	-31.42
CC(C)(OC1=CC=C(F)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103273	0	38	0.0	-35.10	313.26	2.69	-32.41
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(CC2CC2)=N1	REAL300012103274	0	37	0.0	-34.54	324.18	3.04	-31.50
CCCOC1=CC(OC)=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103275	0	42	0.0	-34.86	346.52	3.55	-31.31
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(Cl)C=C1F	REAL300012103276	0	37	0.0	-36.39	320.23	4.30	-32.09
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(OCC(C)C)=C1	REAL300012103277	0	45	0.0	-34.76	366.63	4.22	-30.54
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(OC(F)(F)F)C=C1	REAL300012103278	0	41	0.0	-35.80	347.44	3.68	-32.12
CCC1=NN(C)C(CC)=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103279	0	43	0.0	-40.32	343.24	3.71	-36.61
CCOC1=C(Cl)C=CC=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103280	0	38	0.0	-37.31	336.60	4.03	-33.28
CC1=C(Br)C=CC=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103281	0	34	0.0	-36.60	301.15	4.05	-32.55
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(OCCC(C)C)=C1	REAL300012103282	0	48	0.0	-34.71	385.59	4.84	-29.87
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC([N+](=O)[O-])=C1C	REAL300012103283	0	37	0.0	-39.19	318.58	2.99	-36.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(I)C=C2)=N1	REAL300012103284	0	31	0.0	-37.27	296.19	4.21	-33.06
CC1=CSC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1Br	REAL300012103285	0	28	0.0	-34.04	274.42	2.51	-31.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2CN2CCOCC2)=N1	REAL300012103286	0	44	0.0	-34.92	350.08	1.66	-33.26
CC(C)CC1=CC=C([C@H](C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103287	0	46	0.0	-33.55	366.05	6.18	-27.37
CC1=CC=C(S(N)(=O)=O)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103288	0	36	0.0	-43.22	316.07	-2.17	-45.39
NS(=O)(=O)C1=CC=C(N2CCOCC2)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103289	0	46	0.0	-42.03	385.92	-2.77	-44.80
CN(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1CCS(=O)(=O)C1	REAL300012103290	0	39	0.0	-47.38	318.81	-3.38	-50.76
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1S(N)(=O)=O	REAL300012103291	0	36	0.0	-41.68	315.33	-1.89	-43.57
CC(C)NC(=O)CN(C)CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103292	0	42	0.0	-43.53	341.00	-1.35	-44.88
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(S(N)(=O)=O)=C(C)O1	REAL300012103293	0	36	0.0	-40.73	313.36	-1.66	-42.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(C2=CC=CC=C2)N2CCSCC2)=N1	REAL300012103294	0	44	0.0	-34.79	361.09	3.89	-30.90
NS(=O)(=O)CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103295	0	36	0.0	-44.47	324.74	-1.92	-46.39
CN1CCN(C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C2)CC1	REAL300012103296	0	48	0.0	-33.23	377.21	1.48	-31.75
NS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC2=C1CCC2	REAL300012103297	0	40	0.0	-41.96	344.94	-0.74	-42.70
CCN(CC)C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC(C(F)(F)F)=C1	REAL300012103298	0	48	0.0	-34.94	384.44	3.74	-31.20
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C(S(N)(=O)=O)C=C1[N+](=O)[O-]	REAL300012103299	0	38	0.0	-43.86	338.56	-1.67	-45.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(C2=CC=CC(F)=C2)N2CCOCC2)=N1	REAL300012103300	0	44	0.0	-35.39	358.43	1.67	-33.72
NS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=N1	REAL300012103301	0	32	0.0	-43.25	296.84	-4.54	-47.79
CC1=CC=C(S(N)(=O)=O)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103302	0	36	0.0	-39.19	312.15	-1.33	-40.52
NS(=O)(=O)C1=C2C=CN=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=CC=C1	REAL300012103303	0	38	0.0	-44.15	331.86	-2.46	-46.61
CCCCS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103304	0	43	0.0	-42.37	371.59	2.44	-39.93
CC(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1F	REAL300012103305	0	35	0.0	-37.81	307.56	1.42	-36.39
CC(OC1=CC=CC2=CC=CC=C21)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103306	0	41	0.0	-36.04	339.84	4.83	-31.21
CC(=O)NC1=CC=CC=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103307	0	38	0.0	-42.55	319.60	2.23	-40.32
COC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1[N+](=O)[O-]	REAL300012103308	0	34	0.0	-42.67	303.27	2.72	-39.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC([N+](=O)[O-])=C2N2CCOCC2)=N1	REAL300012103309	0	43	0.0	-40.75	346.83	2.33	-38.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC(I)=C2)=N1	REAL300012103310	0	32	0.0	-39.05	304.66	3.03	-36.02
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(F)=C1Cl	REAL300012103311	0	31	0.0	-37.84	285.87	3.84	-34.00
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC(Cl)=C2Cl)=N1	REAL300012103312	0	31	0.0	-38.95	295.99	4.23	-34.72
COC1=CC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OC)=C1O	REAL300012103313	0	40	0.0	-43.46	337.89	0.12	-43.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2OC2=CC=CC=C2)=N1	REAL300012103314	0	39	0.0	-35.46	333.02	5.98	-29.48
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NN2C2=CC=CC=C2)=N1	REAL300012103315	0	35	0.0	-37.52	302.03	3.13	-34.39
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=CC=C2Cl)=NO1	REAL300012103316	0	37	0.0	-37.19	334.57	5.01	-32.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CN=C2NC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300012103317	0	42	0.0	-37.04	367.21	5.82	-31.22
COC1=CC=CC=C1NC1=NC=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103318	0	43	0.0	-37.65	355.87	4.30	-33.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CN=C2NC2=CC=CC=C2F)=N1	REAL300012103319	0	39	0.0	-37.62	332.96	5.00	-32.62
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=CC=C2)=NO1	REAL300012103320	0	37	0.0	-36.13	316.23	4.34	-31.79
CCOC1=CC=C(NC2=NC=CC=C2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103321	0	46	0.0	-37.73	379.55	5.00	-32.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CN3CCS(=O)(=O)N=C23)=N1	REAL300012103322	0	36	0.0	-57.95	315.95	0.01	-57.94
CC1=NN(C2=CC=C(Cl)C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=N2)C(C)=C1	REAL300012103323	0	40	0.0	-38.34	355.64	4.49	-33.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC([N+](=O)[O-])=CC=C2N2CCCCC2)=N1	REAL300012103324	0	45	0.0	-37.98	369.34	5.41	-32.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC([N+](=O)[O-])=CC=C2N2CCOCC2)=N1	REAL300012103325	0	43	0.0	-39.25	360.00	2.94	-36.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC([N+](=O)[O-])=CC=C2N2CCCC2)=N1	REAL300012103326	0	42	0.0	-38.39	349.76	4.38	-34.01
CC1CCN(C2=CC=C([N+](=O)[O-])C=C2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012103327	0	48	0.0	-37.93	390.22	6.00	-31.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CN2C2=CC=C(F)C=C2)=N1	REAL300012103328	0	35	0.0	-37.13	308.72	4.68	-32.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CC3=CC=CC=C3C=C2)=N1	REAL300012103329	0	41	0.0	-37.55	342.04	6.71	-30.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CC(Cl)=CC(Cl)=C2)=N1	REAL300012103330	0	35	0.0	-36.49	329.49	5.47	-31.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC3=C(C=C2Br)OCCO3)=N1	REAL300012103331	0	37	0.0	-38.80	328.43	3.14	-35.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(N3CCCC3)=CC=N2)=N1	REAL300012103332	0	39	0.0	-35.82	319.87	1.00	-34.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN2C2=NS(=O)(=O)C3=CC=CC=C32)=N1	REAL300012103333	0	44	0.0	-58.64	371.67	1.08	-57.56
CC1=NC(C2=CC=CC=C2)=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012103334	0	37	0.0	-36.42	327.57	3.51	-32.91
CC1=NC(COC2=CC=CC=C2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NO1	REAL300012103335	0	40	0.0	-39.98	347.12	2.00	-37.98
CC1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=NC(C(F)(F)F)=NN1	REAL300012103336	0	36	0.0	-36.80	337.92	4.04	-32.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CN=C2N2C=CC=N2)=N1	REAL300012103337	0	34	0.0	-40.32	298.89	3.01	-37.31
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=C(Cl)C=CC=C2Cl)=NO1	REAL300012103338	0	37	0.0	-37.65	347.80	5.21	-32.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2N2C=CC=N2)=N1	REAL300012103339	0	35	0.0	-37.32	302.44	4.01	-33.31
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=C(F)C=C2)=NO1	REAL300012103340	0	37	0.0	-35.82	322.69	4.41	-31.41
CN(C(=O)C1CC1)C1=CC=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103341	0	42	0.0	-38.73	350.85	5.12	-33.61
CCOC1=CC=CC=C1C(=O)N1CCCC1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103342	0	49	0.0	-46.73	393.55	4.63	-42.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2OCC2=CC=NC=C2)=N1	REAL300012103343	0	41	0.0	-38.33	350.42	4.72	-33.61
COC1=CC=C(C(=O)N2CCCC2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(OC)=C1	REAL300012103344	0	50	0.0	-47.58	401.09	3.02	-44.56
COC1=CC=C(Cl)C=C1C(=O)N1CCCC1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103345	0	46	0.0	-39.99	377.39	5.26	-34.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN2C(=O)C2=CC=CC=C2OC(F)F)=N1	REAL300012103346	0	46	0.0	-47.24	381.47	3.99	-43.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2N2CCOCC2)=N1	REAL300012103347	0	41	0.0	-34.59	331.80	2.27	-32.32
CC12CCC(=O)N1C1=CC=CC=C1C(=O)N2CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103348	0	47	0.0	-45.63	380.18	3.75	-41.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3NC(=O)CCCC3=C2)=N1	REAL300012103349	0	39	0.0	-39.10	321.91	2.53	-36.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2OCC2CC2)=N1	REAL300012103350	0	39	0.0	-34.92	327.30	5.01	-29.91
CN1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=CN=C2)=N1	REAL300012103351	0	37	0.0	-39.15	318.82	1.63	-37.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CN=C2NC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300012103352	0	39	0.0	-37.20	360.07	5.77	-31.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN2C(=O)CC2=CC=CC=C2)=N1	REAL300012103353	0	45	0.0	-39.84	371.15	4.51	-35.33
CN1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=NC=C2)=N1	REAL300012103354	0	37	0.0	-38.64	318.84	1.70	-36.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CN=C2OC2=CC=C(Cl)C=C2Cl)=N1	REAL300012103355	0	38	0.0	-37.46	364.21	4.42	-33.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN2C2=C3C=CSC3=NC=N2)=N1	REAL300012103356	0	41	0.0	-40.31	347.92	3.28	-37.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2OC2=CC=CN=C2)=N1	REAL300012103357	0	38	0.0	-36.47	328.76	4.26	-32.21
CC1=CC(C(=O)N2CCCC2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1[N+](=O)[O-]	REAL300012103358	0	47	0.0	-46.56	387.00	4.57	-41.99
CC(SC1=NC=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C(=O)N1CCCC1	REAL300012103359	0	48	0.0	-41.46	398.13	4.23	-37.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@H]2COCC(=O)N2CC2=CC=CC=C2)=N1	REAL300012103360	0	43	0.0	-38.90	355.04	2.02	-36.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(C2=CC=CC=C2)N2CCS(=O)(=O)CC2)=N1	REAL300012103361	0	46	0.0	-43.90	380.08	0.21	-43.69
COC(=O)C1=NN(C2=CC=CC=C2)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103362	0	41	0.0	-39.39	357.80	3.78	-35.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=C(F)C=CC=C2F)=N1	REAL300012103363	0	35	0.0	-35.46	304.11	4.46	-31.00
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C4OCCOC4=C3)CCCC2)=N1	REAL300012103364	0	47	0.0	-36.75	367.12	4.59	-32.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(C(F)(F)F)=C3)CCCC2)=N1	REAL300012103365	0	44	0.0	-35.22	361.40	6.41	-28.81
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(S(=O)(=O)C3=CC=C(Cl)C=C3)CC2)=N1	REAL300012103366	0	38	0.0	-40.40	346.94	3.21	-37.19
CCC(CC)(CC1=NC2=CC=CC=C2S1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103367	0	48	0.0	-36.63	384.74	5.16	-31.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(Br)C=C3)CC2)=N1	REAL300012103368	0	35	0.0	-36.46	311.54	5.64	-30.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(Br)C=C3)CCC2)=N1	REAL300012103369	0	38	0.0	-34.73	327.77	5.80	-28.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(Cl)=C3)CCC2)=N1	REAL300012103370	0	38	0.0	-33.95	328.52	5.17	-28.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(Cl)=C3)CCCCC2)=N1	REAL300012103371	0	44	0.0	-35.67	351.81	6.34	-29.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(Br)C=C3)CCCC2)=N1	REAL300012103372	0	41	0.0	-35.30	344.64	6.08	-29.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(Br)=C3)CCCC2)=N1	REAL300012103373	0	41	0.0	-36.54	344.62	6.07	-30.47
CC(C)(C)C1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCCC2)C=C1	REAL300012103374	0	56	0.0	-33.27	411.31	8.14	-25.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(Cl)C=C3)CCCCC2)=N1	REAL300012103375	0	44	0.0	-34.96	351.81	6.33	-28.63
COC1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCC2)C=C1	REAL300012103376	0	45	0.0	-35.43	352.11	4.75	-30.68
COC1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC2)C=C1	REAL300012103377	0	42	0.0	-35.66	341.28	3.96	-31.70
CC(C)(C)C1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2)C=C1	REAL300012103378	0	47	0.0	-34.34	366.45	7.33	-27.01
CC1=CC(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC2)=CC(C)=C1	REAL300012103379	0	44	0.0	-33.83	349.53	6.48	-27.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(Cl)=C3)CCCC2)=N1	REAL300012103380	0	41	0.0	-36.60	340.05	5.97	-30.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(Br)C=C3)CCCCC2)=N1	REAL300012103381	0	44	0.0	-34.92	356.38	6.44	-28.48
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(Br)=C3)CC2)=N1	REAL300012103382	0	35	0.0	-37.24	311.54	5.64	-31.60
CC1=CC=CC(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCCC2)=C1	REAL300012103383	0	47	0.0	-34.01	356.48	6.49	-27.52
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(Br)C=C1	REAL300012103384	0	37	0.0	-34.73	322.77	4.51	-30.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(Br)=C3)CCC2)=N1	REAL300012103385	0	38	0.0	-33.88	333.08	5.27	-28.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(F)C=C3)CCCCC2)=N1	REAL300012103386	0	44	0.0	-35.71	341.48	5.88	-29.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(F)=C3)CCCCC2)=N1	REAL300012103387	0	44	0.0	-36.72	341.48	5.89	-30.83
CC1=CC=CC=C1C1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCOCC1	REAL300012103388	0	45	0.0	-35.23	338.33	3.27	-31.96
N[C@@H](CC(=O)[O-])C1=NOC(C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300012103389	1	46	0.0	-71.65	380.29	5.83	-65.82
N[C@@H](CC(=O)[O-])C1=NOC(C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300012103389	1	46	0.0	-73.10	381.47	5.86	-67.24
COC1=CC(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCC2)=CC=C1C	REAL300012103390	0	48	0.0	-35.86	372.98	5.49	-30.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(Br)=C3)CCCCC2)=N1	REAL300012103391	0	44	0.0	-35.65	356.37	6.44	-29.21
CC(C)C1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCC2)C=C1	REAL300012103392	0	50	0.0	-34.29	383.63	7.36	-26.93
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C2OCCOC2=C1	REAL300012103393	0	43	0.0	-37.81	345.95	3.04	-34.77
CC(C)(C)C1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC2)C=C1	REAL300012103394	0	50	0.0	-34.36	382.89	7.48	-26.88
COC1=CC(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC2)=CC=C1C	REAL300012103395	0	45	0.0	-36.47	361.41	4.71	-31.76
COC1=CC=CC=C1C1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCC1	REAL300012103396	0	42	0.0	-34.69	332.33	5.42	-29.27
CC(C)C1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC2)C=C1	REAL300012103397	0	47	0.0	-33.52	372.03	6.59	-26.93
CC1=CC=CC=C1C1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCCCC1	REAL300012103398	0	47	0.0	-33.96	347.78	5.64	-28.32
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(Cl)C(Cl)=C1	REAL300012103399	0	37	0.0	-36.28	332.94	4.83	-31.45
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC(Br)=C1	REAL300012103400	0	37	0.0	-34.76	322.75	4.50	-30.26
CCC(CC)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(Cl)C=C1	REAL300012103401	0	43	0.0	-36.32	347.78	6.47	-29.85
CC1=CC=CC(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCC2)=C1	REAL300012103402	0	44	0.0	-33.79	344.08	6.09	-27.70
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC(C(F)(F)F)=C1	REAL300012103403	0	40	0.0	-35.98	340.51	4.89	-31.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(C(F)(F)F)=C3)CC2)=N1	REAL300012103404	0	38	0.0	-37.83	328.97	6.01	-31.82
CCC(CC)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(Cl)C(Cl)=C1	REAL300012103405	0	43	0.0	-35.87	362.56	6.91	-28.96
CC(C)COC1=CC=C(C(C)(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103406	0	50	0.0	-35.05	394.40	5.60	-29.45
COC1=CC=CC(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCC2)=C1	REAL300012103407	0	45	0.0	-34.81	352.85	4.75	-30.06
CC(C)COC1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC2)C=C1	REAL300012103408	0	51	0.0	-34.63	404.75	6.38	-28.25
CC(C)(CCCC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103409	0	46	0.0	-34.96	366.00	6.25	-28.71
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C([N+](=O)[O-])C=C1	REAL300012103410	0	39	0.0	-40.08	329.69	4.56	-35.52
COC1=CC=CC=C1CC(C)(C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103411	0	44	0.0	-34.80	346.31	4.15	-30.65
CC1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCOCC2)C=C1	REAL300012103412	0	45	0.0	-34.63	348.44	4.14	-30.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(CC3=CC=C(Cl)C=C3)CC3CCC2C3)=N1	REAL300012103413	0	48	0.0	-34.33	377.66	7.05	-27.28
COC1=CC=CC(CC2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC3CCC2C3)=C1	REAL300012103414	0	52	0.0	-34.73	392.51	5.86	-28.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=CC=C2N2CCOCC2)=N1	REAL300012103415	0	41	0.0	-35.18	338.21	2.34	-32.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2CN2C=NC=N2)=N1	REAL300012103416	0	37	0.0	-39.81	315.87	5.36	-34.45
CC1=CC=C(N2CCCC2)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103417	0	43	0.0	-33.59	343.00	4.38	-29.21
CC1=CC=C(N2C=CN=C2)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103418	0	38	0.0	-37.31	319.92	4.78	-32.53
CCNC1=CC=C(Cl)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103419	0	36	0.0	-34.64	314.09	2.71	-31.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2OC2CCCCC2)=N1	REAL300012103420	0	45	0.0	-34.55	355.20	5.95	-28.60
CC1=CC=C(C2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=CO2)C=C1	REAL300012103421	0	37	0.0	-38.09	320.51	1.19	-36.90
CC(C)C1=NN(C2CCS(=O)(=O)C2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103422	0	47	0.0	-45.32	392.86	0.57	-44.75
CC1=CC=C(CN2C(=O)CCC2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103423	0	45	0.0	-40.65	372.76	4.59	-36.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2N2C=CN=N2)=N1	REAL300012103424	0	34	0.0	-42.27	297.28	2.51	-39.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC23CCS(=O)(=O)CC3)=N1	REAL300012103425	0	38	0.0	-45.50	317.67	-0.14	-45.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=COC(C3CCOCC3)=N2)=N1	REAL300012103426	0	38	0.0	-36.66	319.41	-1.45	-38.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2COC2CCOCC2)=N1	REAL300012103427	0	46	0.0	-35.64	369.33	3.41	-32.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CN=C2C2=CC=CC=C2)=N1	REAL300012103428	0	36	0.0	-36.45	309.20	3.62	-32.83
CN1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=CS2)=N1	REAL300012103429	0	35	0.0	-38.00	315.36	2.64	-35.36
CC(C)CN1N=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1C1CC1	REAL300012103430	0	44	0.0	-35.87	355.71	4.28	-31.59
CC1=NN(C)C(N2C=CC=N2)=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103431	0	38	0.0	-38.91	318.99	3.29	-35.62
CCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=CC=C2)=NO1	REAL300012103433	0	40	0.0	-37.31	337.74	5.89	-31.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC=CC=C2Br)=N1	REAL300012103434	0	27	0.0	-37.32	257.95	0.94	-36.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2COCCN2C2CCCC2)=N1	REAL300012103435	0	44	0.0	-33.56	331.17	-0.02	-33.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(N=C(N4CCCC4)S3)S2)=N1	REAL300012103436	0	39	0.0	-36.32	349.20	2.74	-33.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNN=C2C2=CC=CC=C2)=N1	REAL300012103437	0	34	0.0	-36.62	294.65	0.69	-35.93
CC1=CC=C2C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CSC2=C1	REAL300012103438	0	34	0.0	-34.23	302.24	4.26	-29.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CC(C3=CC=CC=C3)C2)=N1	REAL300012103439	0	41	0.0	-36.29	332.61	5.62	-30.67
CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103440	0	58	0.0	-37.17	420.89	4.60	-32.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC23CCC2=CC(Br)=CC=C23)=N1	REAL300012103441	0	39	0.0	-36.61	342.17	6.04	-30.57
COC1=CC=C(C(=O)N2CCCC2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103442	0	46	0.0	-40.21	362.23	2.84	-37.37
COC1=CC=CC=C1N1N=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1C	REAL300012103443	0	42	0.0	-40.21	352.54	3.39	-36.82
CC1=NC(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)=CS1	REAL300012103444	0	37	0.0	-36.29	330.84	3.85	-32.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2SC2=CC=CC=C2[N+](=O)[O-])=N1	REAL300012103445	0	41	0.0	-42.58	364.31	6.74	-35.84
CC1=CC=CC(OC2=CC=CC=C2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103446	0	42	0.0	-36.02	354.21	6.59	-29.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC=CC=C2OC2=CC=CC=C2)=N1	REAL300012103447	0	38	0.0	-38.55	328.18	4.02	-34.53
CC(C)(CC(=O)C1=CC=CC=C1)CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103448	0	45	0.0	-43.00	357.55	5.56	-37.44
CCN1N=CC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C(C)N=C21	REAL300012103449	0	39	0.0	-38.01	328.29	2.86	-35.15
COCC1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(C2=CC=CC=C2)S1	REAL300012103450	0	41	0.0	-38.15	362.67	2.62	-35.53
CC(C)(COCC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103451	0	44	0.0	-34.96	362.23	4.43	-30.53
CC(C)(C1=CSC(C2=CC=CS2)=N1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103452	0	40	0.0	-36.86	359.55	4.27	-32.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CS3)CCCCC2)=N1	REAL300012103453	0	41	0.0	-32.85	329.80	4.91	-27.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(CC3=CC=CC(Cl)=C3)CCCC2)=N1	REAL300012103454	0	44	0.0	-34.05	360.10	7.42	-26.63
CCCCCCC(C)(CCC)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103455	0	51	0.0	-33.45	386.53	6.03	-27.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(C(F)(F)F)=C3)CCCCC2)=N1	REAL300012103456	0	47	0.0	-37.30	373.81	6.83	-30.47
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC2=CC=CC=C2C=C1	REAL300012103457	0	43	0.0	-35.36	346.88	6.13	-29.23
CC(C)OCCS(=O)(=O)NCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103458	0	42	0.0	-43.99	362.80	-2.83	-46.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(CC3=CC=CC=C3)CC3CCC2C3)=N1	REAL300012103459	0	48	0.0	-33.55	360.95	6.53	-27.02
COC1=CC=C(F)C=C1C(F)(F)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103460	0	35	0.0	-36.80	310.40	2.49	-34.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(=O)C3=CNC=C3)C=C2)=N1	REAL300012103461	0	38	0.0	-39.30	328.78	3.64	-35.66
CNS(=O)(=O)C1=CSC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103462	0	33	0.0	-40.97	314.82	-2.47	-43.44
COC1=CC=C(OC)C(C(F)(F)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103463	0	39	0.0	-37.52	333.49	1.71	-35.81
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(Br)C=C2)=N1	REAL300012103464	0	34	0.0	-36.34	311.20	4.53	-31.81
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(Cl)C(Cl)=C3)CCC2)=N1	REAL300012103465	0	38	0.0	-36.30	343.77	5.64	-30.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCCC2=CC=C(Cl)C=C2)=N1	REAL300012103466	0	40	0.0	-36.47	349.63	5.98	-30.49
COC1=CC=C(C(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012103467	0	42	0.0	-38.02	343.57	2.70	-35.32
CN1C(=O)CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1C1=CC=CC=C1	REAL300012103468	0	45	0.0	-39.83	360.31	4.18	-35.65
COC1=CC=C(C2C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC(=O)N2C)C=C1	REAL300012103469	0	49	0.0	-42.24	390.54	3.48	-38.76
CCC(OC1=CC=CC=C1Cl)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103470	0	38	0.0	-36.86	326.13	3.66	-33.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(I)C(Cl)=C2)=N1	REAL300012103471	0	28	0.0	-35.31	288.62	3.95	-31.36
COCCCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103472	0	42	0.0	-36.13	352.94	2.52	-33.61
CC1C(=O)NC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C2N1C	REAL300012103473	0	41	0.0	-37.94	336.30	0.15	-37.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(SC3=CC=CC=C3)CCCC2)=N1	REAL300012103474	0	42	0.0	-34.05	339.90	5.42	-28.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC=N3)=NO2)=N1	REAL300012103475	0	33	0.0	-37.78	298.47	1.71	-36.07
CC1=CC=C(S(=O)(=O)C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCC2)C=C1	REAL300012103476	0	47	0.0	-39.80	384.87	3.96	-35.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC(Cl)=CC=C2Br)=N1	REAL300012103477	0	34	0.0	-35.31	323.86	4.89	-30.42
CC1=CC=C(SC2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCC2)C=C1	REAL300012103478	0	45	0.0	-33.69	361.53	6.11	-27.58
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=C(Br)C=C1	REAL300012103479	0	38	0.0	-38.44	347.61	4.51	-33.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C(F)(F)F)=C2F)=N1	REAL300012103480	0	31	0.0	-37.00	288.87	3.42	-33.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C23CC4CC(C2)CC(C(F)(F)F)(C4)C3)=N1	REAL300012103481	0	45	0.0	-34.24	345.75	4.95	-29.29
COC1=CC=C(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1F	REAL300012103482	0	40	0.0	-39.83	345.72	3.12	-36.71
CC1=CC(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Br	REAL300012103483	0	37	0.0	-36.40	329.39	5.09	-31.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3CC3)=NC3=CC=C(Cl)C=C32)=N1	REAL300012103484	0	40	0.0	-35.09	348.64	5.12	-29.97
CNS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(C)O1	REAL300012103485	0	36	0.0	-41.56	325.76	-2.70	-44.26
CC1=C(Br)SC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103486	0	28	0.0	-34.08	277.98	2.74	-31.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=NC(C4CC4)=NO3)C=C2)=N1	REAL300012103487	0	40	0.0	-38.18	350.20	3.29	-34.89
COC1=CC=C(C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NN2)C=C1OC	REAL300012103488	0	43	0.0	-41.45	363.83	1.44	-40.01
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1S(=O)(=O)NC1CCCC1	REAL300012103489	0	49	0.0	-39.46	404.41	2.32	-37.14
COC1=CC(OC)=CC(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)=C1	REAL300012103490	0	47	0.0	-46.38	382.88	1.96	-44.42
CC1=CC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C(C3CC3)N=C2C(C)=C1	REAL300012103491	0	46	0.0	-35.79	373.41	6.10	-29.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC3=CC(Cl)=CC=C3C=C2)=N1	REAL300012103492	0	33	0.0	-39.86	304.77	3.16	-36.70
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1CCOC1=CC=C(F)C=C1	REAL300012103493	0	44	0.0	-43.46	378.56	2.71	-40.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(OC2=CC=CC=C2)C2=CC=CC=C2)=N1	REAL300012103494	0	42	0.0	-34.94	354.48	5.56	-29.38
CC(C)(C)C1=CN=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012103495	0	42	0.0	-37.72	348.40	1.36	-36.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Br)C(OC(F)(F)F)=C2)=N1	REAL300012103497	0	32	0.0	-34.73	312.85	2.89	-31.84
CC1=CN(C2=CC=C(F)C=C2)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103498	0	38	0.0	-39.56	330.95	4.05	-35.51
CN1C=C(OC2=CC=CC=C2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012103499	0	39	0.0	-38.01	337.18	3.71	-34.30
CCC(C)(C)C1CCC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012103500	0	52	0.0	-34.40	372.90	5.99	-28.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C(F)(F)F)SC=N2)=N1	REAL300012103501	0	27	0.0	-37.63	264.12	0.21	-37.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(N3C=CN=N3)=C2)=N1	REAL300012103502	0	33	0.0	-41.38	294.07	0.53	-40.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(F)C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012103503	0	34	0.0	-36.74	312.74	4.15	-32.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C(F)(F)F)=N2)=N1	REAL300012103504	0	27	0.0	-39.66	272.28	0.38	-39.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C23C4C(=O)C5C2C2CC5C4C23)=N1	REAL300012103505	0	37	0.0	-36.43	297.54	3.55	-32.88
CN(C)C1=CC=CC(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103506	0	42	0.0	-36.00	341.42	4.30	-31.70
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Br)=C1OC	REAL300012103507	0	36	0.0	-36.85	329.38	2.39	-34.46
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Cl)=C1Br	REAL300012103508	0	31	0.0	-35.17	300.73	4.05	-31.12
CCC(CC1=CC=C(C(F)(F)F)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103509	0	43	0.0	-36.68	365.03	5.94	-30.74
CS(=O)(=O)C1=CC=CC=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103510	0	37	0.0	-44.29	315.64	0.33	-43.96
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)S(=O)(=O)C1CC1	REAL300012103511	0	37	0.0	-42.47	315.38	-0.38	-42.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC(=O)C3=CC=CC=C32)=N1	REAL300012103512	0	37	0.0	-38.94	309.03	3.66	-35.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(CC3=CC=CC=C3)=C2)=N1	REAL300012103513	0	38	0.0	-38.80	330.33	3.05	-35.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2OCC2=CC=C(Cl)C=C2)=N1	REAL300012103514	0	42	0.0	-36.72	372.28	7.01	-29.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2OCC2=CC=CC=C2Cl)=N1	REAL300012103515	0	42	0.0	-35.40	367.44	6.94	-28.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2OCC2=CC=C(F)C=C2)=N1	REAL300012103516	0	42	0.0	-37.38	361.95	6.55	-30.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2OCCOC2=CC=CC=C2)=N1	REAL300012103517	0	46	0.0	-38.03	385.46	6.23	-31.80
CC1=C(C2=CC=CC=C2)OC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=CC=C2C1=O	REAL300012103518	0	46	0.0	-39.02	386.27	7.45	-31.57
CC1=CC=CC=C1COC1=CC=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103519	0	45	0.0	-36.43	370.46	7.05	-29.38
CN(C)C(=O)COC1=CC=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103520	0	42	0.0	-44.25	351.68	3.81	-40.44
CC1=NC(COC2=CC=CC=C2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CS1	REAL300012103521	0	41	0.0	-36.53	360.43	4.24	-32.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2OCC2=CSC=N2)=N1	REAL300012103522	0	38	0.0	-36.53	338.48	3.53	-33.00
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2OCC2=CN3C=CC=CC3=N2)=N1	REAL300012103523	0	45	0.0	-40.66	381.43	6.99	-33.67
NC(=O)COC1=CC=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103524	0	36	0.0	-44.16	312.36	0.38	-43.78
CC1=CC=CN2C=C(COC3=CC=CC=C3C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=C12	REAL300012103525	0	48	0.0	-40.56	402.87	7.58	-32.98
COCCOC1=CC=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103526	0	39	0.0	-36.63	329.25	2.69	-33.94
CC(C)OC1=CC(Br)=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103527	0	38	0.0	-33.73	334.85	4.67	-29.06
CC(C)OC1=CC=C(Cl)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103528	0	38	0.0	-34.87	330.29	4.55	-30.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC([N+](=O)[O-])=CC3=C2OCCO3)=N1	REAL300012103529	0	36	0.0	-39.07	316.81	2.93	-36.14
CCN(C)C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1	REAL300012103530	0	42	0.0	-32.88	332.02	2.46	-30.42
CCN(CC)C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1	REAL300012103531	0	45	0.0	-32.80	347.14	3.02	-29.78
CN(C)C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC(Cl)=C1	REAL300012103532	0	39	0.0	-34.61	336.97	2.45	-32.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2OC2CCCC2)=N1	REAL300012103533	0	42	0.0	-34.46	339.33	5.40	-29.06
CC1=CN2C=C(COC3=CC=CC=C3C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=C2C=C1	REAL300012103534	0	48	0.0	-40.00	402.82	7.64	-32.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2OC2CCC2)=N1	REAL300012103535	0	39	0.0	-34.78	322.20	4.79	-29.99
C=CCOC1=CC=C(C(F)(F)F)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103536	0	39	0.0	-36.16	347.55	5.03	-31.13
COCCOC1=CC=C(Cl)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103537	0	39	0.0	-36.69	345.97	3.20	-33.49
CCCOC1=CC=C(Cl)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103538	0	38	0.0	-34.77	333.85	4.73	-30.04
CCOC1=CC(Cl)=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103539	0	35	0.0	-34.11	312.34	3.94	-30.17
C=CCOC1=CC(OC)=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103540	0	40	0.0	-35.09	337.93	3.33	-31.76
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(OC(C)C)=C1	REAL300012103541	0	42	0.0	-34.84	342.96	3.36	-31.48
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=CC=C2OC2CCCC2)=N1	REAL300012103542	0	42	0.0	-34.50	355.08	5.89	-28.61
COC1=CC=CC(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1F	REAL300012103543	0	38	0.0	-39.83	324.67	3.24	-36.59
CC(C)CC1=CC=CC(C(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103544	0	46	0.0	-33.45	366.01	6.18	-27.27
CCC1=CC=C2OC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=C1	REAL300012103545	0	37	0.0	-35.41	317.76	4.16	-31.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCCN2C(=O)C2=CC=CS2)=N1	REAL300012103546	0	42	0.0	-40.07	346.26	4.14	-35.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCCN2C(=O)C2=CC=CC=C2)=N1	REAL300012103547	0	45	0.0	-41.03	353.15	4.95	-36.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN2S(=O)(=O)C2=CC=CC=C2)=N1	REAL300012103548	0	43	0.0	-42.76	362.52	1.22	-41.54
CCCC(=O)N1CCCCC1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103549	0	44	0.0	-35.77	341.89	3.82	-31.95
CC(C)C(=O)N1CCCCC1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103550	0	44	0.0	-35.65	338.10	3.48	-32.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCCN2C(=O)C2=CC=CO2)=N1	REAL300012103551	0	42	0.0	-36.60	336.39	3.28	-33.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C(F)(F)F)N(C3=CC=CC(F)=C3)N=N2)=N1	REAL300012103552	0	37	0.0	-37.03	334.26	2.56	-34.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C(F)(F)F)N(C3=CC=CC=C3F)N=N2)=N1	REAL300012103553	0	37	0.0	-39.30	338.22	2.71	-36.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C(F)(F)F)N(C3=CC=C(F)C=C3)N=N2)=N1	REAL300012103554	0	37	0.0	-36.09	334.27	2.55	-33.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C3CC3)N(C3=CC=C(F)C=C3)N=N2)=N1	REAL300012103555	0	41	0.0	-40.34	352.34	3.77	-36.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C3CC3)N(C3=CC=CC=C3)N=N2)=N1	REAL300012103556	0	41	0.0	-40.75	345.94	3.70	-37.05
CCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=CC(Cl)=C1	REAL300012103557	0	40	0.0	-39.02	354.63	3.64	-35.38
CCCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=CC(Cl)=C1	REAL300012103558	0	43	0.0	-38.66	376.60	4.42	-34.24
CCCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=CC(C(C)C)=C1	REAL300012103559	0	52	0.0	-40.10	419.78	5.82	-34.28
CCCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=C(C(C)(C)C)C=C1	REAL300012103560	0	55	0.0	-38.78	436.02	6.23	-32.55
CCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300012103561	0	50	0.0	-39.70	406.94	3.96	-35.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCCN2C(=O)C2=NNC(=O)C=C2)=N1	REAL300012103562	0	44	0.0	-41.35	354.71	1.04	-40.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C3=CC=CC=C3)OC=N2)=N1	REAL300012103563	0	34	0.0	-38.29	299.13	0.51	-37.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C3=CC=C4OCCOC4=C3)OC=N2)=N1	REAL300012103564	0	40	0.0	-40.62	343.61	-0.33	-40.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C3=CC=C(F)C=C3)OC=N2)=N1	REAL300012103565	0	34	0.0	-38.58	305.53	0.58	-38.00
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(CC(F)F)CC2)=N1	REAL300012103566	0	39	0.0	-35.22	308.72	0.65	-34.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(C(F)(F)F)=C2)=N1	REAL300012103567	0	30	0.0	-35.45	280.35	1.60	-33.85
CN(C)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NC2=CC=CC=C21	REAL300012103568	0	41	0.0	-36.92	342.17	2.50	-34.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CN=CN2CC2=CC=CC=C2)=N1	REAL300012103569	0	41	0.0	-41.88	346.45	5.99	-35.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CC=CC=C2Cl)=N1	REAL300012103570	0	35	0.0	-37.33	310.31	4.88	-32.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(=O)NC3=CC=CC=C32)=N1	REAL300012103571	0	34	0.0	-39.76	292.63	1.28	-38.48
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(=O)NC3=CC(F)=CC=C32)=N1	REAL300012103572	0	34	0.0	-39.40	298.96	1.35	-38.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(=O)NC3=CC=C(F)C=C32)=N1	REAL300012103573	0	34	0.0	-39.51	299.04	1.35	-38.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(=O)NC3=C(Br)C=CC=C23)=N1	REAL300012103574	0	34	0.0	-40.02	311.20	1.96	-38.06
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=C(Cl)C=CC=C1Cl	REAL300012103575	0	34	0.0	-34.29	304.28	4.05	-30.24
CCC(SC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103576	0	38	0.0	-34.54	324.33	4.82	-29.72
CCC(CC1=CC=CC(Br)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103577	0	40	0.0	-35.75	348.90	5.60	-30.15
CC1=NN(C)C2=C1C=C(C(=O)NC(C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)S2	REAL300012103578	0	44	0.0	-41.02	387.46	1.25	-39.77
CCC1=CC=CC=C1N1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1=O	REAL300012103579	0	45	0.0	-43.26	366.49	5.24	-38.02
CN1C(=O)CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1C1=CC=CC(Cl)=C1	REAL300012103580	0	42	0.0	-40.52	358.47	4.04	-36.48
CN(C(=O)C1=CC=CO1)C1=CC=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103581	0	42	0.0	-40.52	358.76	4.72	-35.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(C2=CC=CC(Br)=C2)N2CCCC2)=N1	REAL300012103582	0	43	0.0	-33.70	367.15	3.80	-29.90
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2COCCN2CC(F)(F)F)=N1	REAL300012103583	0	37	0.0	-35.56	310.24	-1.30	-36.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC(F)=C3)C3=C2CCCC3)=N1	REAL300012103584	0	45	0.0	-37.44	373.14	5.69	-31.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC(F)=C3F)C3=C2CCC3)=N1	REAL300012103585	0	42	0.0	-46.54	359.80	5.38	-41.16
CC1=CC=C(F)C(N2N=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C3=C2CCC3)=C1	REAL300012103586	0	45	0.0	-42.90	374.94	6.00	-36.90
CC1=CC=CC(F)=C1N1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=C1CCC2	REAL300012103587	0	45	0.0	-39.34	375.48	6.17	-33.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC(F)=C3)C3=C2CCC3)=N1	REAL300012103588	0	42	0.0	-40.92	359.62	5.33	-35.59
CS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012103589	0	31	0.0	-43.39	299.48	-1.02	-44.41
CN1N=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C21	REAL300012103590	0	37	0.0	-39.21	318.35	3.01	-36.20
CC1=CC(C)=C([N+](=O)[O-])C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103591	0	36	0.0	-40.26	308.70	4.17	-36.09
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1N1C=CC=N1	REAL300012103592	0	38	0.0	-37.41	320.37	4.54	-32.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OCC3=CC=NC=C3)C=C2)=N1	REAL300012103593	0	41	0.0	-37.92	352.56	3.94	-33.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C3=CC=CC=C3)N(C3CCCC3)N=C2)=N1	REAL300012103594	0	48	0.0	-35.74	385.36	6.10	-29.64
COC1=CC=CC([C@@H]2C[C@H]2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103595	0	39	0.0	-38.10	325.53	3.76	-34.34
CCOC1=CC2=C(C=C1[C@@H]1C[C@H]1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)OC(C)C2	REAL300012103596	0	50	0.0	-37.41	403.11	5.33	-32.08
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C(C2=CN(C)N=C2)O1	REAL300012103597	0	37	0.0	-42.44	325.97	-0.79	-43.23
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C(S(=O)(=O)N(C)C)O1	REAL300012103598	0	39	0.0	-40.80	344.67	-0.88	-41.68
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC2=CC=CC=C2C=C1	REAL300012103599	0	40	0.0	-35.27	330.73	5.74	-29.53
CC(=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1OC(F)F	REAL300012103600	0	39	0.0	-36.73	336.40	4.93	-31.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(CC2=CC=CC=C2)CC2=CC=CC=C2)=N1	REAL300012103601	0	50	0.0	-38.86	403.52	8.55	-30.31
CS(=O)(=O)NCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012103602	0	36	0.0	-48.22	328.21	-2.60	-50.82
CC(C)(CC1=CC=CC(Cl)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103603	0	40	0.0	-35.57	338.15	5.11	-30.46
CC1=C(S(=O)(=O)N(C)C)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012103604	0	39	0.0	-41.83	337.96	-1.04	-42.87
CC1=NC2=CC=CC=C2N1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103605	0	37	0.0	-44.29	315.99	3.75	-40.54
COC1=CC=C2OCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC2=C1	REAL300012103606	0	38	0.0	-36.16	321.77	2.19	-33.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=C(Cl)SC(Cl)=C2)=N1	REAL300012103607	0	34	0.0	-37.06	333.80	4.78	-32.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(CC3=CC=CC=C3)S2)=N1	REAL300012103608	0	37	0.0	-35.82	335.09	4.05	-31.77
CC1=C(C2=CC=C(F)C=C2)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012103609	0	38	0.0	-35.49	342.00	5.77	-29.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3)C(C3=CC=CS3)=C2)=N1	REAL300012103610	0	42	0.0	-38.94	371.57	5.71	-33.23
CC(C)CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N1CCCCC1=O	REAL300012103611	0	47	0.0	-35.73	359.65	4.93	-30.80
CC1=CC=C(N2N=C(Br)C=C2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103612	0	38	0.0	-36.34	345.11	4.30	-32.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=C(Cl)SC(Cl)=C2)=N1	REAL300012103613	0	33	0.0	-37.02	332.30	3.94	-33.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=CSC3=CC=CC=C23)=N1	REAL300012103614	0	39	0.0	-39.19	343.84	5.07	-34.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=CC(C(F)(F)F)=C2)=N1	REAL300012103615	0	31	0.0	-34.88	291.93	3.50	-31.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=CSC3=CC=CC=C23)=N1	REAL300012103616	0	40	0.0	-39.39	347.76	6.03	-33.36
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103617	0	40	0.0	-42.29	351.28	1.67	-40.62
CC(CSC1=CC=C(F)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103618	0	38	0.0	-36.27	333.89	4.94	-31.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=NN(C3=CC=CC=C3)C=C2)=N1	REAL300012103619	0	38	0.0	-42.32	327.23	4.21	-38.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OC3=CC=C(Cl)C=C3)=N2)=N1	REAL300012103620	0	38	0.0	-39.04	350.38	3.15	-35.89
CC1=CC=C(C2=CN=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)C=C1	REAL300012103621	0	40	0.0	-36.16	337.26	4.72	-31.44
COC1=CC=C(C2=CN=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)C=C1	REAL300012103622	0	41	0.0	-37.76	345.30	3.34	-34.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(C3=CC=C(Cl)C=C3)=C2)=N1	REAL300012103623	0	37	0.0	-36.97	332.58	4.57	-32.40
CCC(CC1=CC=CC=C1Br)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103624	0	40	0.0	-35.10	343.72	5.42	-29.68
COC1=CC=C(C(=O)NC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)C=C1	REAL300012103625	0	43	0.0	-42.19	378.73	2.86	-39.33
COC1=CC=C(C(C)(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012103626	0	45	0.0	-37.69	359.75	3.08	-34.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=C(Cl)C=CC=C3Cl)CC2)=N1	REAL300012103627	0	35	0.0	-34.11	324.68	5.06	-29.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(CC3=CC=CC(F)=C3)N=N2)=N1	REAL300012103628	0	37	0.0	-44.71	331.65	2.75	-41.96
CC1=NC(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)=NN1	REAL300012103629	0	37	0.0	-39.21	323.52	3.15	-36.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C(F)(F)F)=CC=C2F)=N1	REAL300012103630	0	31	0.0	-35.85	290.03	3.77	-32.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=C(F)C=C2I)=N1	REAL300012103631	0	28	0.0	-34.51	280.61	4.57	-29.94
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(I)=C1	REAL300012103632	0	32	0.0	-34.51	297.40	2.57	-31.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Cl)C=C2Br)=N1	REAL300012103633	0	28	0.0	-33.66	279.31	3.36	-30.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(I)=CC=C2Cl)=N1	REAL300012103634	0	28	0.0	-33.87	286.66	3.87	-30.00
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(Br)S1	REAL300012103635	0	28	0.0	-34.25	276.68	3.39	-30.86
CSC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(Cl)C=C1Cl	REAL300012103636	0	32	0.0	-35.22	313.99	5.04	-30.18
CC(=O)NC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(C(F)(F)F)=C1	REAL300012103637	0	38	0.0	-40.59	341.59	2.32	-38.27
CC1=C(I)C=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103638	0	31	0.0	-33.80	285.76	3.83	-29.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3C=CC(C(F)(F)F)=N3)=C2)=N1	REAL300012103639	0	38	0.0	-40.72	346.24	4.60	-36.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=CC=CC(Br)=C2)=N1	REAL300012103640	0	37	0.0	-37.31	332.70	5.30	-32.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC(I)=C2)=N1	REAL300012103641	0	31	0.0	-37.45	296.19	4.20	-33.25
COC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Cl)=C1	REAL300012103642	0	35	0.0	-37.73	310.42	3.04	-34.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(C3=CC=C(F)C=C3)=C2)=N1	REAL300012103643	0	34	0.0	-38.57	308.43	3.48	-35.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC(C3CCCC3)=NO2)=N1	REAL300012103644	0	42	0.0	-39.02	346.85	1.77	-37.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OC(F)(F)F)=C2)=N1	REAL300012103645	0	32	0.0	-34.36	292.46	2.22	-32.14
CC1=C(Br)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012103646	0	28	0.0	-33.66	279.09	2.78	-30.88
COC(=O)NC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(C(F)(F)F)=C1	REAL300012103647	0	39	0.0	-38.91	352.70	1.64	-37.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Br)C(Cl)=C2)=N1	REAL300012103648	0	28	0.0	-35.53	282.57	3.49	-32.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC=C2Br)=N1	REAL300012103649	0	27	0.0	-36.23	257.93	2.00	-34.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=C2)NC(=O)N3CC(F)(F)F)=N1	REAL300012103650	0	38	0.0	-42.59	345.02	2.64	-39.95
CC(CC1=CC=C(F)C(Br)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103651	0	37	0.0	-37.14	333.71	4.97	-32.17
CC1=CC(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(C)=C1Cl	REAL300012103652	0	38	0.0	-38.26	331.05	3.60	-34.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C3CCCCC3=C2)=N1	REAL300012103653	0	42	0.0	-37.71	339.61	4.42	-33.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)N2CCN(C3=CC=CC=N3)CC2)=N1	REAL300012103654	0	49	0.0	-41.51	393.45	2.79	-38.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)N2CCN(C3=CC=CC=C3)CC2)=N1	REAL300012103655	0	50	0.0	-39.13	395.76	3.36	-35.77
COC1=CC=C(C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NN2)C=C1	REAL300012103656	0	39	0.0	-38.86	334.62	1.53	-37.33
COC1=CC=CC(C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NN2)=C1	REAL300012103657	0	39	0.0	-38.70	334.65	1.53	-37.17
CC1=NC(C2=CC=CC=C2)=NC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103658	0	39	0.0	-36.85	331.63	4.15	-32.70
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)S2	REAL300012103659	0	44	0.0	-38.72	385.83	6.44	-32.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN3C(=NN=C3C(F)F)C=C2)=N1	REAL300012103660	0	33	0.0	-40.92	302.50	3.66	-37.26
CC(=O)NC1=CC=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103661	0	35	0.0	-40.11	315.22	2.47	-37.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(C=C2F)NC(=O)CC3)=N1	REAL300012103662	0	36	0.0	-41.34	310.75	1.96	-39.38
COC1=CC=C(Br)C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103663	0	35	0.0	-36.47	313.46	3.27	-33.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(C3=CC=C4OCCC4=C3)=C2)=N1	REAL300012103664	0	42	0.0	-38.39	351.79	3.90	-34.49
CCC1=NC(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)=NN1	REAL300012103665	0	40	0.0	-38.78	344.96	3.78	-35.00
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=CC([N+](=O)[O-])=C2)=N1	REAL300012103666	0	30	0.0	-36.66	295.97	3.71	-32.95
COCCCS(=O)(=O)NCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103667	0	39	0.0	-46.70	342.17	-3.74	-50.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC(OCC(F)(F)F)=C2)=N1	REAL300012103668	0	38	0.0	-39.88	339.34	3.80	-36.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC(F)=CC=C2Br)=N1	REAL300012103669	0	31	0.0	-36.21	290.40	4.05	-32.16
CNC(=O)COC1=CC=CC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103670	0	42	0.0	-47.23	358.43	1.96	-45.27
CC(C)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1	REAL300012103671	0	44	0.0	-38.13	362.10	4.95	-33.18
CC(C)COC1=CC=CC(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103672	0	45	0.0	-39.88	369.83	3.66	-36.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(Br)C=C3C=C2)=N1	REAL300012103673	0	34	0.0	-35.33	313.81	5.29	-30.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC=C3)=NS2)=N1	REAL300012103674	0	34	0.0	-36.93	309.01	3.65	-33.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC(OC(F)(F)F)=C2)=N1	REAL300012103675	0	35	0.0	-38.75	314.41	2.90	-35.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=C(F)C=C2Br)=N1	REAL300012103676	0	28	0.0	-34.80	275.22	3.95	-30.85
CCC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(OC)C=C1	REAL300012103677	0	44	0.0	-36.75	353.62	4.47	-32.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(OCC3=CC=CC=N3)C=C2)=N1	REAL300012103678	0	44	0.0	-40.12	372.44	4.70	-35.42
COC1=CC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C(C3CC3)N=C2C=C1	REAL300012103679	0	44	0.0	-36.49	361.40	3.92	-32.57
CN(C)C(=O)NC1=CC=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103680	0	40	0.0	-40.31	346.73	3.32	-36.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC3=CC=C(Cl)C=C23)=N1	REAL300012103681	0	34	0.0	-36.89	321.56	4.97	-31.92
CC(C)CC1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103682	0	46	0.0	-34.93	371.10	6.59	-28.34
CC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(F)C=C1F	REAL300012103683	0	37	0.0	-39.07	316.48	4.31	-34.76
CC(C)CC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103684	0	44	0.0	-34.53	359.19	6.29	-28.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CCC(F)(F)F)C=C2)=N1	REAL300012103685	0	37	0.0	-36.06	328.99	5.03	-31.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(CCOC3=CC=CC=C3Cl)C2)=N1	REAL300012103686	0	46	0.0	-40.70	397.69	4.20	-36.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(Br)C(F)=C2)=N1	REAL300012103687	0	31	0.0	-39.25	295.42	3.78	-35.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Cl)C(Br)=C2)=N1	REAL300012103688	0	28	0.0	-35.60	282.57	3.49	-32.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC3=C(C=CC4=C3C=CC=C4)O2)=N1	REAL300012103689	0	40	0.0	-41.68	342.92	5.91	-35.77
COC1=CC=C(CCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(OC)=C1	REAL300012103690	0	45	0.0	-38.56	369.20	3.34	-35.22
COC1=CC2=C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=CC=C2C=C1	REAL300012103691	0	41	0.0	-37.37	340.25	4.54	-32.83
CCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300012103692	0	45	0.0	-37.62	365.40	3.20	-34.42
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Br)=C1	REAL300012103693	0	31	0.0	-34.00	283.98	3.53	-30.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC=N3)=CC=C2Cl)=N1	REAL300012103694	0	37	0.0	-37.37	330.50	5.47	-31.90
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C1=CC=CC=N1	REAL300012103695	0	41	0.0	-38.58	345.14	4.10	-34.48
CC1=C(C2=CC=CC=N2)C=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103696	0	40	0.0	-36.04	333.82	4.88	-31.16
CN(C)S(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CO1	REAL300012103697	0	36	0.0	-41.22	326.19	-1.60	-42.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=C(Br)C=C3)C=N2)=N1	REAL300012103698	0	35	0.0	-40.04	324.76	5.27	-34.77
CC1=CN(CC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NO2)N=C1	REAL300012103699	0	37	0.0	-40.84	328.27	2.18	-38.66
CNS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CO1	REAL300012103700	0	33	0.0	-41.96	307.23	-3.42	-45.38
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Br	REAL300012103701	0	31	0.0	-34.05	285.92	3.60	-30.45
CCS(=O)(=O)C1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103702	0	43	0.0	-43.71	372.06	2.32	-41.39
CN(C(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1)C1=CC=CC=C1	REAL300012103703	0	45	0.0	-41.35	366.73	5.43	-35.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(=O)NC3CC3)C=C2)=N1	REAL300012103704	0	39	0.0	-39.28	334.46	2.43	-36.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN(CC2=CC=CC=C2)C2=CC=CC=C2)=N1	REAL300012103705	0	46	0.0	-37.87	375.58	6.82	-31.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(Cl)C=C3)C=C2)=N1	REAL300012103706	0	35	0.0	-39.61	322.73	3.95	-35.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OC3=CC=NC=C3)=C2)=N1	REAL300012103707	0	38	0.0	-37.03	330.26	3.52	-33.51
CCOCCS(=O)(=O)NCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103708	0	39	0.0	-44.11	342.53	-3.57	-47.68
CN1C(=O)CCC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C21	REAL300012103709	0	39	0.0	-39.84	322.22	3.30	-36.54
COC1=C(Br)SC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103710	0	29	0.0	-35.82	289.03	1.45	-34.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2COC3=CC=C(Br)C=C32)=N1	REAL300012103711	0	33	0.0	-36.65	303.07	2.70	-33.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(=O)NC3=CC=CC=C3)C=C2)=N1	REAL300012103712	0	42	0.0	-40.32	358.16	4.45	-35.87
CC1=NC(COC2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=NO1	REAL300012103713	0	40	0.0	-40.10	349.30	1.22	-38.88
CC(C)CN1N=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1C(F)F	REAL300012103714	0	40	0.0	-36.20	332.73	2.92	-33.28
CC1=CC(S(C)(=O)=O)=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1C	REAL300012103715	0	40	0.0	-42.23	340.21	0.95	-41.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN2CC2=CC=CC=C2)=N1	REAL300012103716	0	43	0.0	-35.05	348.03	3.00	-32.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(F)C=C3F)CCCC2)=N1	REAL300012103717	0	41	0.0	-33.67	329.91	5.49	-28.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(N3CCCC3=O)=CC=C2Cl)=N1	REAL300012103718	0	39	0.0	-40.65	336.12	4.70	-35.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=CC(F)=CC=C2F)=N1	REAL300012103719	0	37	0.0	-37.05	323.26	4.77	-32.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=NC(C3=CC=CC=C3)=N2)=N1	REAL300012103720	0	37	0.0	-46.82	325.26	4.65	-42.17
CC(=O)N(CCC1=CC=CC=C1)CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103721	0	44	0.0	-39.35	364.49	4.73	-34.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C3=CC=CC=C3N=C2C2CCCCC2)=N1	REAL300012103722	0	50	0.0	-43.13	398.77	6.68	-36.45
CCS(=O)(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103723	0	37	0.0	-42.34	328.62	0.85	-41.49
CC1=NN(C2=CC=C(Br)C=C2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103724	0	38	0.0	-36.69	345.92	4.70	-31.99
CC1=NN(CC(F)(F)F)C(C)=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103725	0	40	0.0	-41.57	348.42	3.08	-38.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC=C2Br)=N1	REAL300012103726	0	32	0.0	-39.84	297.30	2.60	-37.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3[N+](=O)[O-])C=C2)=N1	REAL300012103727	0	37	0.0	-44.97	334.19	4.50	-40.47
CC(C)C1=NC2=CC=CC=C2C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103728	0	42	0.0	-35.98	342.31	4.42	-31.56
CCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1S(C)(=O)=O	REAL300012103729	0	40	0.0	-40.99	336.70	1.38	-39.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3F)C(=O)C=C2)=N1	REAL300012103730	0	37	0.0	-44.40	334.02	2.95	-41.45
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1CCOCC1	REAL300012103731	0	42	0.0	-38.86	341.04	1.56	-37.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2=CC=CC(Br)=C2)=N1	REAL300012103732	0	32	0.0	-38.57	308.50	4.16	-34.41
CS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CS1	REAL300012103733	0	31	0.0	-42.57	299.74	-1.13	-43.70
CC1=CN(C2=CC=CC=C2Cl)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103734	0	38	0.0	-41.31	336.65	4.68	-36.63
CC(C)C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N1CCCS1(=O)=O	REAL300012103735	0	42	0.0	-44.45	345.19	-0.34	-44.79
CC(C)NC(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103736	0	41	0.0	-39.30	344.97	2.38	-36.92
CC1=CC(F)=CC=C1N1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=N1	REAL300012103737	0	37	0.0	-41.90	323.00	2.89	-39.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Br)C=C2Br)=N1	REAL300012103738	0	28	0.0	-33.65	283.87	3.47	-30.18
CC1=C2OC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC2=CC(Br)=C1	REAL300012103739	0	34	0.0	-36.32	317.64	4.05	-32.27
CC1=CC=C(CC2=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=C1	REAL300012103740	0	40	0.0	-38.65	356.02	4.44	-34.21
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(C)C=C1Br	REAL300012103741	0	34	0.0	-33.82	301.30	4.05	-29.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CN=C2OCC(F)(F)F)=N1	REAL300012103742	0	34	0.0	-37.30	312.89	1.30	-36.00
CN1CCC(=O)NC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C21	REAL300012103743	0	41	0.0	-38.11	331.33	0.36	-37.75
CCOC(=O)C1=C2N=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N2N=C1	REAL300012103744	0	39	0.0	-45.18	346.25	2.91	-42.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC(OCC3=CC=CN=C3)=C2)=N1	REAL300012103745	0	44	0.0	-41.37	374.52	4.61	-36.76
COC1=CC=C(N2N=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2C)C=C1	REAL300012103746	0	42	0.0	-39.22	355.79	3.19	-36.03
CCOC1=CC=CC=C1C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103747	0	45	0.0	-35.10	376.54	6.41	-28.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(Cl)C=C3Cl)C=C2)=N1	REAL300012103748	0	35	0.0	-39.76	339.87	4.69	-35.07
CC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)CC1=CC=C(Cl)C=C1	REAL300012103749	0	40	0.0	-38.01	342.48	5.50	-32.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=NC4=CC=CC=C43)N=C2)=N1	REAL300012103750	0	40	0.0	-44.00	343.32	6.35	-37.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=CC3=CC=CC=C3C=C2)=N1	REAL300012103751	0	43	0.0	-38.62	357.52	6.94	-31.68
CC1=C(C)N2C(=NC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=O)S1	REAL300012103752	0	36	0.0	-39.15	317.51	3.61	-35.54
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300012103753	0	38	0.0	-39.91	358.30	5.11	-34.80
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1Cl	REAL300012103754	0	38	0.0	-40.87	341.53	4.60	-36.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC(Cl)=C3F)N=N2)=N1	REAL300012103755	0	34	0.0	-48.77	321.54	2.69	-46.08
CC1=CSC2=NC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C(=O)N12	REAL300012103756	0	33	0.0	-40.41	298.33	2.85	-37.56
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300012103757	0	38	0.0	-40.13	358.17	4.87	-35.26
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=C(F)C=C1	REAL300012103758	0	38	0.0	-38.83	332.74	3.96	-34.87
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=C(C)C=C1	REAL300012103759	0	41	0.0	-38.86	347.72	4.57	-34.29
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC(Cl)=C1	REAL300012103760	0	38	0.0	-37.87	341.61	4.36	-33.51
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC(C)=CC(C)=C1	REAL300012103761	0	44	0.0	-38.88	369.14	5.21	-33.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(F)C=C3F)CCC2)=N1	REAL300012103762	0	38	0.0	-36.98	316.15	5.72	-31.26
COC1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCC2)C=C1OC	REAL300012103763	0	49	0.0	-37.94	381.38	4.63	-33.31
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103764	0	43	0.0	-38.69	355.98	3.17	-35.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OC3=CC=C(Cl)C=C3)=C2)=N1	REAL300012103765	0	39	0.0	-35.43	351.94	5.78	-29.65
CC1=CC(Br)=CC=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103766	0	34	0.0	-37.16	304.30	4.14	-33.02
CN(C)S(=O)(=O)C1=CN(C)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103767	0	40	0.0	-42.51	348.33	-0.38	-42.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(Br)=C2Cl)=N1	REAL300012103768	0	28	0.0	-36.91	278.24	4.13	-32.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=C(F)C(F)=C3)=N2)=N1	REAL300012103769	0	34	0.0	-41.40	324.15	3.21	-38.19
CC1=CC(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)=CC=C1F	REAL300012103770	0	42	0.0	-42.76	349.81	4.03	-38.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(CC3=CC=CC(F)=C3)=N2)=N1	REAL300012103771	0	37	0.0	-41.78	341.02	3.83	-37.95
CN1C=NC(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)=N1	REAL300012103772	0	37	0.0	-40.57	324.55	4.53	-36.04
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1CCCCC1	REAL300012103773	0	44	0.0	-36.70	350.09	3.98	-32.72
COC1=CC=C(CC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012103774	0	45	0.0	-39.08	365.45	3.52	-35.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=NC4=CC=CC=C43)C=C2)=N1	REAL300012103775	0	41	0.0	-40.62	353.27	7.06	-33.56
CC1=C(S(N)(=O)=O)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012103776	0	33	0.0	-42.87	302.76	-3.83	-46.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=C(F)C=CC=C3F)CCC2)=N1	REAL300012103777	0	38	0.0	-34.79	320.49	4.68	-30.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=CC(OC(F)F)=C2)=N1	REAL300012103778	0	38	0.0	-39.00	329.16	3.48	-35.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC(Cl)=C3F)C3=C2CCC3)=N1	REAL300012103779	0	42	0.0	-44.96	369.69	5.81	-39.15
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300012103780	0	37	0.0	-39.38	354.06	2.45	-36.93
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1N1C=NN=N1	REAL300012103781	0	37	0.0	-45.35	321.83	2.15	-43.20
CC1=CC(Br)=C2OC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC2=C1	REAL300012103782	0	34	0.0	-38.51	317.54	4.06	-34.45
CC(C)COC1=NC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Cl	REAL300012103783	0	40	0.0	-35.05	353.13	2.13	-32.92
CC1=CC(F)=CC=C1N1C=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012103784	0	38	0.0	-38.55	333.58	4.47	-34.08
CCOC1=CC=C(C(C)(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OCC	REAL300012103785	0	51	0.0	-37.87	403.45	4.90	-32.97
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C2=NC([C@@H](N)CC(=O)[O-])=NO2)=C1	REAL300012103786	1	49	0.0	-82.99	400.86	7.59	-75.40
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C2=NC([C@@H](N)CC(=O)[O-])=NO2)=C1	REAL300012103786	1	49	0.0	-82.68	400.86	7.61	-75.07
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC1CCCC1	REAL300012103787	0	46	0.0	-36.23	370.68	4.52	-31.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC(F)=CC=C2Br)=N1	REAL300012103788	0	34	0.0	-35.67	313.52	4.44	-31.23
CC(C)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(O)C(C(C)C)=C1	REAL300012103789	0	47	0.0	-34.82	373.99	4.36	-30.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(CC3=CC=CC=C3)=CC=C2O)=N1	REAL300012103790	0	42	0.0	-37.15	358.07	4.55	-32.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(OCC3=CC=CC=C3)=CC=C2O)=N1	REAL300012103791	0	43	0.0	-37.65	366.49	3.37	-34.28
CC1=NN(C2=CC=CC=C2)C2=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C12	REAL300012103792	0	43	0.0	-44.19	370.09	5.50	-38.69
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC(C2=CC=CC=C2)=N1	REAL300012103793	0	37	0.0	-37.06	322.10	1.45	-35.61
CN(C)C1=NC2=CC=CC=C2C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103794	0	41	0.0	-36.88	337.03	4.21	-32.67
CCNS(=O)(=O)C1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103795	0	42	0.0	-44.87	366.05	0.14	-44.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC=C(Br)C=C2Br)=N1	REAL300012103796	0	27	0.0	-34.77	279.28	1.54	-33.23
CC(C)(C)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(C(C)(C)C)=C1O	REAL300012103797	0	53	0.0	-34.22	396.84	5.12	-29.10
CC1=CC=C(C(=O)NCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(O)=C1	REAL300012103798	0	42	0.0	-46.97	355.22	0.78	-46.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C3=CC(Cl)=CC=C3Cl)C2=O)=N1	REAL300012103799	0	39	0.0	-39.74	364.48	4.89	-34.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN2CC2=CC=C(F)C=C2)=N1	REAL300012103800	0	43	0.0	-35.49	345.55	2.56	-32.93
CCOC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Cl)=C1O	REAL300012103801	0	36	0.0	-36.93	324.53	1.02	-35.91
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300012103802	0	48	0.0	-36.51	377.25	1.68	-34.83
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N(C)CC1=CC=CC=C1	REAL300012103803	0	42	0.0	-35.62	331.98	2.20	-33.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2CCN(C3=CC=CC=N3)CC2)=N1	REAL300012103804	0	44	0.0	-37.99	351.17	0.82	-37.17
CC(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103805	0	44	0.0	-48.91	385.14	-0.14	-49.05
CC1=CC(=O)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1	REAL300012103806	0	40	0.0	-40.36	340.99	4.41	-35.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CN=C2C(F)(F)F)=N1	REAL300012103807	0	30	0.0	-38.31	272.85	1.43	-36.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSCC(=O)C2=CC=C(Cl)C=C2)=N1	REAL300012103808	0	37	0.0	-45.37	349.88	4.84	-40.53
CC(=O)C1=CC=C(OC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C=C1	REAL300012103809	0	44	0.0	-39.78	375.53	5.68	-34.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2C(F)(F)F)=N1	REAL300012103810	0	31	0.0	-35.89	276.33	3.12	-32.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(F)C=C3)CCCC2)=N1	REAL300012103811	0	41	0.0	-36.01	329.79	5.52	-30.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=COC(C3=C(F)C=CC=C3F)=N2)=N1	REAL300012103812	0	34	0.0	-42.44	312.75	1.19	-41.25
CC1=CC(F)=CC(N2N=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C3=C2CCC3)=C1	REAL300012103813	0	45	0.0	-37.96	381.03	5.99	-31.97
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(S(N)(=O)=O)=C1C	REAL300012103814	0	39	0.0	-41.34	333.02	-1.33	-42.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=CC=C3C(=O)N2)=N1	REAL300012103815	0	34	0.0	-41.80	297.23	1.56	-40.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)NC3=CC=CC=C32)=N1	REAL300012103816	0	36	0.0	-38.61	304.65	1.28	-37.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(CC3=CC=CC=C3)N=N2)=N1	REAL300012103817	0	37	0.0	-43.85	325.23	2.68	-41.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC=C3)CCOCC2)=N1	REAL300012103818	0	42	0.0	-34.99	327.00	3.45	-31.54
CC1=NC([N+](=O)[O-])=CN1CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103819	0	36	0.0	-49.71	320.62	4.12	-45.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=CC=CC=C3)N=C2)=N1	REAL300012103820	0	36	0.0	-37.14	315.86	3.73	-33.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(Br)C=C3)CCOCC2)=N1	REAL300012103821	0	42	0.0	-36.05	348.30	4.09	-31.96
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1S(N)(=O)=O	REAL300012103822	0	36	0.0	-41.49	316.04	-1.87	-43.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=CN3N=CC=C3C2=O)=N1	REAL300012103823	0	33	0.0	-40.77	296.33	1.09	-39.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(=O)C2=CN(C3=CC=CC=C3)N=C2)=N1	REAL300012103824	0	37	0.0	-39.55	325.63	3.25	-36.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2SCCC3=CC=CC=C32)=N1	REAL300012103825	0	36	0.0	-34.77	306.08	4.45	-30.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(N3C=CC=N3)=CC=N2)=N1	REAL300012103826	0	34	0.0	-40.39	300.65	1.71	-38.68
CCC(=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(C)C=C1	REAL300012103827	0	41	0.0	-34.07	334.60	5.40	-28.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(C2=CC=CC=C2F)N2CCOCC2)=N1	REAL300012103828	0	44	0.0	-36.63	355.21	1.67	-34.96
COC1=CC=CC(C2C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC(=O)N2C2CC2)=C1	REAL300012103829	0	50	0.0	-40.77	404.23	4.75	-36.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CNN=C3)C2)=N1	REAL300012103830	0	36	0.0	-43.39	306.83	-0.15	-43.54
CCS(=O)(=O)C1=CC=CC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103831	0	40	0.0	-47.34	350.58	1.52	-45.82
CC1CN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=N2)CC(C)O1	REAL300012103832	0	46	0.0	-37.31	370.57	2.12	-35.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)N=C(N3CCCC3)S2)=N1	REAL300012103833	0	36	0.0	-35.72	325.85	2.12	-33.60
CC1=CC(C)=C(Br)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103834	0	34	0.0	-34.69	302.13	5.05	-29.64
CC1=CC(Br)=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103835	0	31	0.0	-34.48	289.18	3.69	-30.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(F)C=C3F)C=C2)=N1	REAL300012103836	0	35	0.0	-36.74	315.78	3.49	-33.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(COC3=CC=CC=C3F)=C2)=N1	REAL300012103837	0	38	0.0	-41.95	340.12	3.16	-38.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300012103838	0	40	0.0	-38.26	350.14	5.67	-32.59
CN(C)S(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012103839	0	38	0.0	-43.44	337.97	-1.52	-44.96
CNS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012103840	0	35	0.0	-43.54	319.08	-3.34	-46.88
CC1=C(C)C=C2C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=COC2=C1	REAL300012103841	0	37	0.0	-35.63	313.20	3.93	-31.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=NNC=N3)C=C2)=N1	REAL300012103842	0	34	0.0	-39.92	301.54	3.30	-36.62
COC1=CC2=CC=C([C@H](C)C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2C=C1	REAL300012103843	0	44	0.0	-37.09	360.10	5.03	-32.06
CC1=CN(C2=CC=CC=C2)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103844	0	38	0.0	-39.34	324.55	3.97	-35.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(CC3=CC=CC=C3F)S2)=N1	REAL300012103845	0	37	0.0	-36.04	340.55	4.11	-31.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(CC3=CC=CC(F)=C3)CCC2)=N1	REAL300012103846	0	41	0.0	-38.03	335.26	6.62	-31.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CN=CN=C3)C=C2F)=N1	REAL300012103847	0	36	0.0	-38.37	315.06	3.87	-34.50
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NC(C(F)(F)F)=N1	REAL300012103848	0	32	0.0	-40.84	299.25	1.30	-39.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C(F)(F)F)N=C2)=N1	REAL300012103849	0	29	0.0	-38.15	277.17	0.82	-37.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=CC(C(F)(F)F)=C2)=N1	REAL300012103850	0	31	0.0	-34.54	302.24	3.94	-30.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(C(F)(F)F)C=C3)CC2)=N1	REAL300012103851	0	38	0.0	-36.58	328.99	6.01	-30.57
CC1=CC=C(C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NN2)C=C1C	REAL300012103852	0	41	0.0	-37.13	343.56	3.43	-33.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC(Cl)=C3)N=N2)=N1	REAL300012103853	0	34	0.0	-40.28	317.69	2.62	-37.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCS(=O)(=O)C2CCCC2)=N1	REAL300012103854	0	40	0.0	-42.40	335.52	0.47	-41.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CS(=O)(=O)CCCC2=CC=CC=C2)=N1	REAL300012103855	0	43	0.0	-51.76	375.00	2.35	-49.41
CC(C)S(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103856	0	40	0.0	-41.70	346.24	1.46	-40.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOC2=CC=CC=C2Br)=N1	REAL300012103857	0	38	0.0	-40.30	340.29	4.16	-36.14
CNC(=O)C1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103858	0	39	0.0	-43.30	334.31	1.89	-41.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)C3=C(Cl)C=CC=C3S2)=N1	REAL300012103859	0	31	0.0	-35.58	308.50	4.51	-31.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(OC(F)F)C=C2)=N1	REAL300012103860	0	38	0.0	-38.59	329.17	3.48	-35.11
CN(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)S(=O)(=O)C1=CC=CN=C1	REAL300012103861	0	38	0.0	-44.84	338.34	-1.21	-46.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(S(=O)(=O)C3=CC=CN=C3)CC2)=N1	REAL300012103862	0	45	0.0	-43.27	378.40	0.43	-42.84
COC1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Br	REAL300012103863	0	38	0.0	-38.83	339.83	3.86	-34.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC3=CC=C([N+](=O)[O-])C=C32)=N1	REAL300012103864	0	33	0.0	-40.50	301.75	1.59	-38.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(C(=O)NC3CC3)C=C2)=N1	REAL300012103865	0	43	0.0	-42.08	365.91	3.59	-38.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=CC=CC=C3)S2)=N1	REAL300012103866	0	34	0.0	-35.79	311.40	3.32	-32.47
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1=CC=CC(Cl)=C1	REAL300012103867	0	38	0.0	-39.22	339.74	4.44	-34.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(NC(=O)CCN3C=CN=C3)=C2)=N1	REAL300012103868	0	45	0.0	-43.15	385.04	4.68	-38.47
NS(=O)(=O)C1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012103869	0	33	0.0	-46.78	314.99	-2.79	-49.57
COC1=CC=C2OC(C)=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=C1	REAL300012103870	0	38	0.0	-36.43	322.42	3.35	-33.08
CC1=NN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C=C1	REAL300012103871	0	38	0.0	-38.27	326.73	4.21	-34.06
CCN1CCN(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(=O)C1=O	REAL300012103872	0	39	0.0	-46.90	328.75	1.14	-45.76
CN1C=CN=C1SCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012103873	0	39	0.0	-40.75	354.07	4.09	-36.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(OCC3=CC=CC=N3)C=C2)=N1	REAL300012103874	0	45	0.0	-38.61	381.98	5.17	-33.44
COC1=CC=CC(COC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103875	0	42	0.0	-37.41	352.20	2.41	-35.00
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=C(Cl)C=C3)N=C2)=N1	REAL300012103876	0	35	0.0	-38.25	322.66	4.11	-34.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=C(Br)C=C3)N=C2)=N1	REAL300012103877	0	35	0.0	-38.16	327.22	4.21	-33.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=C([N+](=O)[O-])C=C3)N=C2)=N1	REAL300012103878	0	37	0.0	-42.93	334.13	4.26	-38.67
CN1C(=O)C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=C2N(C)C1=O	REAL300012103879	0	39	0.0	-41.21	335.09	1.86	-39.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)=N1	REAL300012103880	0	34	0.0	-39.10	326.89	0.56	-38.54
CCCCC1=CC=C(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)C=C1	REAL300012103881	0	51	0.0	-41.50	409.02	6.34	-35.16
CCCC1=CC=C(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)C=C1	REAL300012103882	0	48	0.0	-42.62	387.97	5.58	-37.04
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OCC1=CSC=N1	REAL300012103883	0	42	0.0	-38.06	370.00	2.68	-35.38
CCOC1=CC=C(C2=NC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=C1	REAL300012103884	0	44	0.0	-39.64	384.30	4.15	-35.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=CC=CC3=CC=CC=C32)=N1	REAL300012103885	0	42	0.0	-39.45	351.48	6.00	-33.45
CCOC1=CC=C(C2=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=C1	REAL300012103886	0	41	0.0	-38.21	362.74	3.32	-34.89
CC1=CC=CC=C1C(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)NC(N)=O	REAL300012103887	0	43	0.0	-38.13	348.52	-0.34	-38.47
CCOC1=CC=C(C2=NC(C)=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)C=C1	REAL300012103888	0	44	0.0	-36.19	380.13	4.01	-32.18
CCCCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OCCCC	REAL300012103889	0	54	0.0	-35.90	434.83	6.64	-29.26
CC1=CC=CC(OCCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103890	0	44	0.0	-37.53	362.78	4.94	-32.59
CC(C)C1=C(Br)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1	REAL300012103891	0	34	0.0	-35.80	308.82	1.09	-34.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(C3=CC=CC=C3)=C2Br)=N1	REAL300012103892	0	35	0.0	-36.11	324.77	2.68	-33.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(C3CC3)=C2Br)=N1	REAL300012103893	0	32	0.0	-35.94	297.44	1.37	-34.57
CC(C)C1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C(C2=CC=CC=C2)O1	REAL300012103894	0	43	0.0	-37.53	363.50	2.87	-34.66
CCCC1=NOC2=NC(C3=CC=CO3)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C12	REAL300012103895	0	45	0.0	-40.14	380.59	2.45	-37.69
CC(C)C1=NOC2=NC(C3=CC=CO3)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C21	REAL300012103896	0	45	0.0	-40.28	380.93	2.11	-38.17
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C2C(=N1)ON=C2C(C)C	REAL300012103897	0	41	0.0	-40.23	336.02	0.91	-39.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=CC=C3F)=N2)=N1	REAL300012103898	0	34	0.0	-41.55	315.96	3.31	-38.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=CC=N3)=N2)=N1	REAL300012103899	0	33	0.0	-43.03	306.88	1.20	-41.83
CC(C)(C)C(=O)N1CCCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1	REAL300012103900	0	47	0.0	-39.59	354.80	2.79	-36.80
CC[NH+](CC)CC1=CC=C(C2=NC([C@@H](N)CC(=O)[O-])=NO2)O1	REAL300012103901	1	42	0.0	-72.89	342.91	3.67	-69.22
COC1=CC=C(C)C=C1N1C=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012103902	0	42	0.0	-41.13	354.57	3.73	-37.40
COC1=CC=C(OCC2=CC=CC=N2)C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103903	0	49	0.0	-38.43	410.36	4.51	-33.92
CC1=CC=CC=C1N1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=C1CCC2	REAL300012103904	0	45	0.0	-38.93	364.71	6.09	-32.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CN(CC3=CC=CC=C3)C2=O)=N1	REAL300012103905	0	41	0.0	-45.34	350.25	6.00	-39.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(CC3=CC=C(F)C=C3)=N2)=N1	REAL300012103906	0	40	0.0	-40.38	362.57	4.68	-35.70
CC(OC1=CC=C(Cl)C=C1[N+](=O)[O-])C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103907	0	37	0.0	-43.71	337.55	4.45	-39.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=NC=C3)NC2=O)=N1	REAL300012103908	0	37	0.0	-46.83	318.95	1.48	-45.35
CCCCN(CC)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103909	0	48	0.0	-33.72	384.44	6.25	-27.47
CCCCN(C)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103910	0	45	0.0	-34.01	362.63	5.32	-28.69
CC1OC2=C(C=CC=C2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)NC1=O	REAL300012103911	0	37	0.0	-38.76	315.19	1.21	-37.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3CCCCCC3)N=C2)=N1	REAL300012103912	0	45	0.0	-35.25	348.32	3.51	-31.74
CC1=CC=C(N2N=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C3=C2CCC3)C(F)=C1	REAL300012103913	0	45	0.0	-43.24	374.56	6.01	-37.23
CC1=CC=C(N2N=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C3=C2CCC3)C(C)=C1	REAL300012103914	0	48	0.0	-38.70	386.13	6.76	-31.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=COC(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300012103915	0	37	0.0	-41.42	341.74	2.05	-39.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC(OCC3=CC=CC(Cl)=C3)=C2)=N1	REAL300012103916	0	45	0.0	-39.77	396.42	6.91	-32.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC(OCC3=CC=C(Cl)C=C3)=C2)=N1	REAL300012103917	0	45	0.0	-38.85	396.41	6.91	-31.94
CC1=CC=CC=C1COC1=CC=CC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103918	0	48	0.0	-38.02	395.85	7.07	-30.95
CCOC1=CC=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1OC1CCCC1	REAL300012103919	0	53	0.0	-36.85	428.25	6.88	-29.97
COC1=CC=CC=C1CC(C)=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103920	0	42	0.0	-35.47	344.10	4.44	-31.03
CC1=CC=C(C(=O)NC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C2)C=C1	REAL300012103921	0	51	0.0	-42.49	425.39	6.38	-36.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC=C2OCC2CCCCC2)=N1	REAL300012103922	0	52	0.0	-34.73	411.48	7.26	-27.47
COCCC1=CC=C(OCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103923	0	48	0.0	-39.42	396.44	4.00	-35.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(Cl)C(Cl)=C3)C=C2)=N1	REAL300012103924	0	35	0.0	-41.75	337.90	4.40	-37.35
CC(C)COC1=CN(C2=CC=CC=C2)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103925	0	48	0.0	-38.64	400.97	5.19	-33.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2NC(=O)N(C3=CC=C(Cl)C=C3)C2=O)=N1	REAL300012103926	0	43	0.0	-46.09	375.44	2.59	-43.50
CC1=NN(CC2=CC=C(C)C=C2)C(C)=C1CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103927	0	53	0.0	-39.49	429.16	7.01	-32.48
COC1=CC=C(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C(F)=C2)C(F)=C1	REAL300012103928	0	42	0.0	-39.67	365.84	5.72	-33.95
CC1=CC=C(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C(F)=C2)C=C1C	REAL300012103929	0	44	0.0	-37.07	363.45	7.39	-29.68
COC1=CC=C(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C(F)=C2)C=C1	REAL300012103930	0	42	0.0	-36.66	354.52	5.15	-31.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=C(F)C=C3)C=C2F)=N1	REAL300012103931	0	38	0.0	-36.67	331.48	5.91	-30.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=C(Cl)C=C3)C=C2F)=N1	REAL300012103932	0	38	0.0	-36.04	341.81	6.36	-29.68
CC1=CC=C(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C(F)=C2)C=C1	REAL300012103933	0	41	0.0	-35.11	346.48	6.52	-28.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC(OCC3=CC=CC=C3Cl)=C2)=N1	REAL300012103934	0	45	0.0	-38.61	392.85	6.97	-31.64
CC1=CC=CC(COC2=CC=CC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=C1	REAL300012103935	0	48	0.0	-39.10	401.09	7.07	-32.03
CC1=CC=C(N2N=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C3=C2CCCC3)C=C1	REAL300012103936	0	48	0.0	-38.36	388.15	6.30	-32.06
CCC1=CC=C(N2N=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C3=C2CCC3)C=C1	REAL300012103937	0	48	0.0	-38.75	396.11	6.70	-32.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=COC(C3=CC=CS3)=N2)=N1	REAL300012103938	0	34	0.0	-42.57	316.03	0.47	-42.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(S(=O)(=O)CC3=CC=CC=C3)C2)=N1	REAL300012103939	0	49	0.0	-44.38	406.75	2.94	-41.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C3=CC=C4OCCOC4=C3)C2=O)=N1	REAL300012103940	0	45	0.0	-50.05	367.80	2.49	-47.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3CCCC3)C(F)=C2)=N1	REAL300012103941	0	40	0.0	-34.94	326.78	2.82	-32.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3CCOCC3)C(F)=C2)=N1	REAL300012103942	0	41	0.0	-37.01	340.36	1.56	-35.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CCC(C3=CC=CC=C3)CC2)=N1	REAL300012103943	0	47	0.0	-36.42	367.30	6.71	-29.71
CC1=CC(C)=C(C)C(OCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012103944	0	44	0.0	-36.52	356.86	4.66	-31.86
CC1CCCN(S(=O)(=O)C2=CN(C)C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)C1	REAL300012103945	0	50	0.0	-42.33	410.79	2.22	-40.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(I)=C2)=N1	REAL300012103946	0	25	0.0	-33.34	265.16	2.52	-30.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC3=CC(C(F)(F)F)=CC=C3S2)=N1	REAL300012103947	0	39	0.0	-39.40	360.13	4.31	-35.09
CC(C)COC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103948	0	44	0.0	-37.26	361.37	4.83	-32.43
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(C)=C1OC(F)F	REAL300012103949	0	38	0.0	-35.99	323.66	3.39	-32.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(S(=O)(=O)CC3=CC=CC=C3)=C2)=N1	REAL300012103950	0	44	0.0	-43.64	388.53	3.89	-39.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC(Br)=CS2)=N1	REAL300012103951	0	31	0.0	-35.50	301.60	3.61	-31.89
CN1C=C(C2=CN=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)C=N1	REAL300012103952	0	37	0.0	-39.97	321.80	1.93	-38.04
COC1=CC=CC=C1CC(C)CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103953	0	44	0.0	-36.68	354.49	4.60	-32.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC2C2=CC=C(Cl)C=C2Cl)=N1	REAL300012103954	0	35	0.0	-37.95	327.02	5.39	-32.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCSC2=CC=C(Br)C=C2)=N1	REAL300012103955	0	38	0.0	-38.50	351.49	5.75	-32.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COCC2=NC3=CC=CC=C3S2)=N1	REAL300012103956	0	37	0.0	-42.24	334.10	1.83	-40.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=S)NN=C2C2=CC=CS2)=N1	REAL300012103957	0	35	0.0	-43.26	327.30	3.69	-39.57
CCC1=CC=C(C2=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=C1	REAL300012103958	0	40	0.0	-37.64	354.34	4.53	-33.11
CC1=CC=C(C2=NNC(=S)N2CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103959	0	44	0.0	-43.45	378.89	6.05	-37.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(N3CCCC3=O)=N2)=N1	REAL300012103960	0	38	0.0	-47.57	336.42	2.58	-44.99
COC1=CC=C(C2=NC(C)=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)C=C1	REAL300012103961	0	41	0.0	-36.44	358.28	3.08	-33.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Cl)C(N3CCCC3=O)=C2)=N1	REAL300012103962	0	39	0.0	-39.95	348.27	4.58	-35.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=C(F)C=C3)=N2)=N1	REAL300012103963	0	34	0.0	-38.30	317.85	3.16	-35.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=O)C=CN(CC3=CC=CC=C3)C2=O)=N1	REAL300012103964	0	44	0.0	-43.60	376.34	4.86	-38.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(CC3=CC=CC=C3)N=C2)=N1	REAL300012103965	0	38	0.0	-39.28	331.39	4.03	-35.25
CCOC(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103966	0	39	0.0	-37.22	335.46	1.57	-35.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=C(Br)C(=O)NC2=O)=N1	REAL300012103967	0	31	0.0	-46.13	297.53	-0.69	-46.82
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC2=C1C(=O)N(C)C=N2	REAL300012103968	0	36	0.0	-41.51	317.21	2.74	-38.77
CC(=O)N1C=CC2=CC=CC=C2C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103969	0	43	0.0	-39.23	357.21	4.85	-34.38
CC1=NNC(C)=C1S(=O)(=O)N1CCCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1	REAL300012103970	0	49	0.0	-43.94	397.13	0.01	-43.93
COC1=CC(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OC)=C1	REAL300012103971	0	42	0.0	-37.71	348.91	2.51	-35.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C(=O)C3=CC=CC4=CC=CC=C43)CC2)=N1	REAL300012103972	0	51	0.0	-42.47	406.46	6.41	-36.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C3=CC=CC=C3N=C2CC2=CC=CC=C2)=N1	REAL300012103973	0	47	0.0	-44.25	392.69	7.20	-37.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3CC4=CC=CC=C4C3=C2)=N1	REAL300012103974	0	39	0.0	-35.59	330.69	6.53	-29.06
CS(=O)(=O)NCCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103975	0	42	0.0	-43.98	367.91	0.02	-43.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=O)N(C4=CC=CC=C4)C(=O)NC3=C2)=N1	REAL300012103976	0	44	0.0	-44.12	381.99	4.34	-39.78
CN1C2=C(C(=O)N(C)C1=O)N(CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C=N2	REAL300012103977	0	43	0.0	-47.05	364.01	3.76	-43.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C=NC3=C(C=CS3)C2=O)=N1	REAL300012103978	0	36	0.0	-47.21	325.73	3.17	-44.04
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC2=C1OC(C)C2	REAL300012103979	0	40	0.0	-37.88	332.84	2.31	-35.57
C=CCC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OC)=C1OC	REAL300012103980	0	43	0.0	-36.45	361.11	3.67	-32.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C(=O)C3=CC=C(F)C=C3)C2)=N1	REAL300012103981	0	45	0.0	-40.44	368.32	4.22	-36.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(CC3=CC=CC=C3Cl)C(=O)C=C2)=N1	REAL300012103982	0	41	0.0	-38.22	360.19	5.26	-32.96
CC1=NOC2=NC(C(C)C)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C12	REAL300012103983	0	41	0.0	-40.64	340.67	0.91	-39.73
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C2C=NN(C(C)C)C2=N1	REAL300012103984	0	42	0.0	-37.58	352.84	3.59	-33.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3CCNC3=O)C=C2)=N1	REAL300012103985	0	38	0.0	-43.49	318.81	1.15	-42.34
CC(C)C1CCC(C)CC1OCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012103986	0	50	0.0	-35.64	377.01	4.36	-31.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCOC2=CC=C(Cl)C=C2[N+](=O)[O-])=N1	REAL300012103987	0	37	0.0	-41.19	341.12	4.68	-36.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Br)SC(Br)=C2)=N1	REAL300012103988	0	25	0.0	-33.40	276.48	3.32	-30.08
COC1=CC=C(S(=O)(=O)CC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012103989	0	44	0.0	-42.71	374.37	0.91	-41.80
COCCOC1=CC=C(N2N=C(C)C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=N2)C=C1	REAL300012103990	0	48	0.0	-40.02	406.29	1.98	-38.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(=O)NC3=CC=C([N+](=O)[O-])C=C32)=N1	REAL300012103991	0	36	0.0	-42.64	320.78	1.95	-40.69
CC1=CC(F)=CC=C1C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1F	REAL300012103992	0	41	0.0	-37.55	355.14	6.65	-30.90
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=NC(N3CCCC3)=C2)=N1	REAL300012103993	0	39	0.0	-35.98	337.59	2.74	-33.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(F)C=C3)C=C2Br)=N1	REAL300012103994	0	35	0.0	-38.29	331.81	4.04	-34.25
CCC1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1	REAL300012103995	0	40	0.0	-39.03	341.54	4.44	-34.59
CC(C)C1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC(F)=C1	REAL300012103996	0	43	0.0	-37.34	367.60	4.90	-32.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(CC3=CC=CC=C3F)=N2)=N1	REAL300012103997	0	37	0.0	-36.83	340.07	3.81	-33.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C([N+](=O)[O-])C=C2Cl)=N1	REAL300012103998	0	33	0.0	-43.89	309.19	4.42	-39.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC=C2OC(F)F)=N1	REAL300012103999	0	35	0.0	-38.33	306.47	2.76	-35.57
CC(=O)NCC(=O)N1CCC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C21	REAL300012104000	0	46	0.0	-41.45	381.98	1.70	-39.75
COC1=CC=C(C2=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C(C)O2)C=C1	REAL300012104001	0	41	0.0	-39.02	351.61	0.80	-38.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=CC([N+](=O)[O-])=C2)=N1	REAL300012104002	0	30	0.0	-36.72	291.40	3.60	-33.12
CC1=CC=C(NC2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)N=N1	REAL300012104003	0	41	0.0	-39.43	348.00	3.34	-36.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3CCCS3(=O)=O)C=C2Cl)=N1	REAL300012104004	0	40	0.0	-44.60	355.30	1.29	-43.31
CC1=C(Cl)C=CC=C1OCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104005	0	35	0.0	-39.03	311.00	3.11	-35.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OC3=NC=CS3)=C2)=N1	REAL300012104006	0	35	0.0	-38.35	321.66	1.15	-37.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OC3=CN=CC=N3)=C2)=N1	REAL300012104007	0	37	0.0	-37.67	327.71	0.93	-36.74
CC1=CC=CC(Cl)=C1OCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104008	0	35	0.0	-37.31	316.93	3.39	-33.92
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C(C2=CC=CC=C2F)O1	REAL300012104009	0	37	0.0	-42.01	326.69	1.83	-40.18
CN(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300012104010	0	41	0.0	-49.40	371.57	1.24	-48.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(N3CCNC3=O)=CC=C2F)=N1	REAL300012104011	0	38	0.0	-43.53	323.42	1.50	-42.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCSC2=CC=C3OCCOC3=C2)=N1	REAL300012104012	0	41	0.0	-39.52	353.19	3.49	-36.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(F)C=C3)N=C2)=N1	REAL300012104013	0	34	0.0	-38.29	308.95	2.08	-36.21
CC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC(C(F)(F)F)=C1	REAL300012104014	0	40	0.0	-38.47	343.76	5.22	-33.25
CC(C)C1=CC=C(C(C)CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104015	0	46	0.0	-34.72	365.10	6.41	-28.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC(C(F)(F)F)=C3)C=C2)=N1	REAL300012104016	0	38	0.0	-43.19	345.11	4.44	-38.75
CC(CC1=CC=CC(C(F)(F)F)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104017	0	40	0.0	-36.82	345.39	5.31	-31.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC(N3C=CC([N+](=O)[O-])=N3)=C2)=N1	REAL300012104018	0	36	0.0	-41.65	332.82	4.58	-37.07
CC(CC1=CC=C(C(F)(F)F)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104019	0	40	0.0	-36.87	345.39	5.32	-31.55
CN1C(=O)N(C)C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C(Br)C=C21	REAL300012104020	0	38	0.0	-40.78	342.25	4.75	-36.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=COC=C3)=N2)=N1	REAL300012104021	0	34	0.0	-40.29	316.11	1.91	-38.38
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NC2=C1C(=O)N(C)C(=O)N2C	REAL300012104022	0	42	0.0	-40.12	351.09	2.53	-37.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C(=O)CCC3=CC=CC=C32)=N1	REAL300012104023	0	42	0.0	-37.43	344.69	4.26	-33.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCSCC2=NC3=CC=CC=C3C(=O)N2)=N1	REAL300012104024	0	43	0.0	-43.61	379.09	3.74	-39.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC(C3=COC=C3)=NO2)=N1	REAL300012104025	0	36	0.0	-41.84	322.75	0.50	-41.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC(N3CCCCC3)=N2)=N1	REAL300012104026	0	41	0.0	-38.98	334.20	3.20	-35.78
CN(C)C(=O)NC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104027	0	40	0.0	-41.02	334.69	2.18	-38.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC(C(F)(F)F)=C3)N=N2)=N1	REAL300012104028	0	37	0.0	-45.89	340.07	3.11	-42.78
CC1=CSC(C2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=N1	REAL300012104029	0	37	0.0	-36.05	332.72	3.89	-32.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(S(=O)(=O)N3CCOCC3)C=C2)=N1	REAL300012104030	0	44	0.0	-41.49	374.79	-0.01	-41.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(S(=O)(=O)N3CCCCC3)C=C2)=N1	REAL300012104031	0	46	0.0	-39.87	383.55	2.42	-37.45
CCN(CC)S(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104032	0	45	0.0	-40.33	383.17	2.15	-38.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(S(=O)(=O)N3CCCCCC3)C=C2)=N1	REAL300012104033	0	49	0.0	-40.76	397.84	3.33	-37.43
CC1=CC(Br)=CC=C1SCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104034	0	35	0.0	-37.19	326.98	4.74	-32.45
CCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OCC	REAL300012104035	0	42	0.0	-36.47	348.83	3.48	-32.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(C2=CC=CC=C2)C2=CC=CC=C2)=N1	REAL300012104036	0	44	0.0	-36.72	359.19	7.02	-29.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)C3=CC=CC=C3S2)=N1	REAL300012104037	0	31	0.0	-34.66	296.97	4.18	-30.48
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1S(=O)(=O)N1CCCCC1	REAL300012104038	0	49	0.0	-39.43	387.26	2.72	-36.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)C3=CC=C(Cl)C=C3S2)=N1	REAL300012104039	0	31	0.0	-33.87	313.70	4.68	-29.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CO3)=NC3=CC=CC=C32)=N1	REAL300012104040	0	40	0.0	-38.23	344.61	4.38	-33.85
CC1=CC=C(S(=O)(=O)N2CCOCC2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104041	0	47	0.0	-42.17	389.50	0.47	-41.70
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1S(=O)(=O)N1CCOCC1	REAL300012104042	0	47	0.0	-40.91	378.42	0.31	-40.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(F)C(S(=O)(=O)N3CCCCC3)=C2)=N1	REAL300012104043	0	46	0.0	-39.92	384.31	2.30	-37.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)C3=CC=C(F)C=C3S2)=N1	REAL300012104044	0	31	0.0	-34.17	303.38	4.25	-29.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(Br)C=C2)=N1	REAL300012104045	0	31	0.0	-37.52	289.70	3.74	-33.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC(Cl)=C(Cl)C=C2Cl)=N1	REAL300012104046	0	32	0.0	-38.76	324.80	3.46	-35.30
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104047	0	49	0.0	-39.86	398.94	2.87	-36.99
CC1=NN(C2=CC=C(F)C=C2)C2=C1C=C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)S2	REAL300012104048	0	41	0.0	-38.31	372.64	5.55	-32.76
CC(C)(C)C1=CC=C(OCC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C=C1	REAL300012104049	0	54	0.0	-35.62	433.92	8.03	-27.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CSC3=CC=C(Cl)C=C3)C=C2)=N1	REAL300012104050	0	42	0.0	-35.98	384.80	7.85	-28.13
CCN(CC)S(=O)(=O)C1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104051	0	49	0.0	-42.16	414.70	3.33	-38.83
CCCCCCCCCCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104052	0	51	0.0	-34.26	401.98	7.13	-27.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC3=CC=CC=C3C=C2)=N1	REAL300012104053	0	38	0.0	-39.88	322.89	4.22	-35.66
COC1=CC=C(Br)C=C1C(=O)CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104054	0	40	0.0	-38.76	358.74	4.90	-33.86
CCCCN1C(=O)C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2C1=O	REAL300012104055	0	44	0.0	-38.90	377.13	4.23	-34.67
CCCOC1=CC=C(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104056	0	42	0.0	-38.79	349.73	2.95	-35.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(COC3=CC=CC=C3)C=C2)=N1	REAL300012104057	0	42	0.0	-36.09	357.75	5.70	-30.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OCC3=CC=CC=C3)=C2)=N1	REAL300012104058	0	42	0.0	-35.88	357.73	5.70	-30.18
CC1SC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2NC1=O	REAL300012104059	0	37	0.0	-38.02	327.01	2.11	-35.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=C(Cl)N=C3SC=CN32)=N1	REAL300012104060	0	32	0.0	-40.93	312.84	3.67	-37.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C3C=CC(=O)OC3=C2)=N1	REAL300012104061	0	37	0.0	-51.36	324.57	3.44	-47.92
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC2=C1C(=O)N1CCCCCC1=N2	REAL300012104062	0	46	0.0	-39.48	373.90	4.43	-35.05
COC1=CC=C2OC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C(C)C2=C1	REAL300012104063	0	38	0.0	-37.46	322.60	2.62	-34.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=CC=C3OCCOC3=C2)=N1	REAL300012104064	0	42	0.0	-41.34	354.57	2.89	-38.45
CC1=NC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C2N1C1=CC=CC=C1	REAL300012104065	0	44	0.0	-37.53	375.25	6.96	-30.57
CC1=NC(C2=CC=C(C)C=C2)=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012104066	0	43	0.0	-39.90	371.85	5.09	-34.81
CCN1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C2C1=O	REAL300012104067	0	39	0.0	-40.53	330.80	2.30	-38.23
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=CC=C(Br)C=C12	REAL300012104068	0	34	0.0	-36.22	314.42	3.95	-32.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2=CC=C(Cl)C=C2)=N1	REAL300012104069	0	32	0.0	-37.49	303.92	4.07	-33.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=CC=CC=C3)=N2)=N1	REAL300012104070	0	37	0.0	-39.68	333.01	3.91	-35.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC2=NS(=O)(=O)C3=CC=CC=C32)=N1	REAL300012104071	0	37	0.0	-48.81	333.20	-1.33	-50.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)C2=CC=C(Cl)C=C2)=N1	REAL300012104072	0	38	0.0	-44.57	341.70	2.09	-42.48
CC(NS(=O)(=O)C1=CC=C(Cl)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104073	0	39	0.0	-40.51	356.99	-0.25	-40.76
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104074	0	46	0.0	-47.00	396.63	-1.88	-48.88
CC1=CC=C(S(=O)(=O)NC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104075	0	42	0.0	-40.22	361.67	-0.10	-40.32
CC1=NOC(C)=C1CSCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104076	0	37	0.0	-42.53	331.51	3.28	-39.25
CSCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=CC=CC=C21	REAL300012104077	0	38	0.0	-37.28	337.77	4.56	-32.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(S(=O)(=O)C(F)F)C=C2)=N1	REAL300012104078	0	34	0.0	-40.49	320.31	0.37	-40.12
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Cl)=C1OC	REAL300012104079	0	36	0.0	-36.89	325.11	2.28	-34.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSCC2=CC=C(F)C=C2)=N1	REAL300012104080	0	35	0.0	-39.36	319.51	4.53	-34.83
CC1=CC=C(S(=O)(=O)N2CCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2)C=C1	REAL300012104081	0	49	0.0	-41.48	404.35	2.92	-38.56
CCCCOC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012104082	0	49	0.0	-38.83	401.51	5.31	-33.52
CCCOC1=C(Cl)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OCC	REAL300012104083	0	45	0.0	-36.39	390.32	4.94	-31.45
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C(C2=CC=CC=C2)O1	REAL300012104084	0	37	0.0	-38.72	322.18	1.50	-37.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=NC4=CC=CC=C4S3)O2)=N1	REAL300012104085	0	37	0.0	-42.55	341.45	3.71	-38.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3SCCS3)C=C2)=N1	REAL300012104086	0	37	0.0	-35.76	333.33	5.41	-30.35
CS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104087	0	34	0.0	-43.22	307.13	-0.04	-43.26
CS(=O)(=O)CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104088	0	37	0.0	-44.75	331.50	0.63	-44.12
CCOC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OCC	REAL300012104089	0	46	0.0	-39.12	380.37	4.65	-34.47
CC(C)N(C)S(=O)(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104090	0	45	0.0	-40.01	379.61	1.84	-38.17
CC(C)NS(=O)(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104091	0	42	0.0	-40.45	361.32	0.02	-40.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSCC2=CC=CC(Cl)=C2)=N1	REAL300012104092	0	35	0.0	-38.27	329.83	4.97	-33.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSCC2=CC=C(Cl)C=C2)=N1	REAL300012104093	0	35	0.0	-38.63	329.83	4.98	-33.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CSC3=CC=CC=C3)C=C2)=N1	REAL300012104094	0	42	0.0	-35.92	368.07	7.33	-28.59
CC1=CC=C(SCC2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)C(C)=C1	REAL300012104095	0	48	0.0	-35.70	407.99	8.56	-27.14
COC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OCC(C)C	REAL300012104096	0	49	0.0	-38.72	400.12	5.20	-33.52
CCOC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OC	REAL300012104097	0	43	0.0	-39.22	358.51	3.73	-35.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCN2C(=O)OC3=CC=CC=C32)=N1	REAL300012104098	0	40	0.0	-44.61	344.49	4.18	-40.43
CC(C)CCSC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1[N+](=O)[O-]	REAL300012104099	0	46	0.0	-39.16	392.22	6.89	-32.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C3OC4=C(CCCC4)C3=C2)=N1	REAL300012104100	0	45	0.0	-41.70	367.82	4.95	-36.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=NC(=O)C3=CC=CC=C3N2)=N1	REAL300012104101	0	42	0.0	-58.69	355.91	2.69	-56.00
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Cl)=C1OCC(C)C	REAL300012104102	0	45	0.0	-36.48	388.56	4.69	-31.79
CC1=CC=C(NC(=O)CSCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104103	0	42	0.0	-47.05	367.85	3.40	-43.65
CCOC1=C(Cl)C=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012104104	0	43	0.0	-39.62	378.50	4.40	-35.22
CCCOC1=C(Cl)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012104105	0	42	0.0	-36.68	368.46	4.02	-32.66
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Cl)=C1OCCC(C)C	REAL300012104106	0	48	0.0	-36.43	407.53	5.31	-31.12
CCCCOC1=C(Cl)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OCC	REAL300012104107	0	48	0.0	-36.32	411.81	5.72	-30.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=O)NC3(CCCCC3)C2=O)=N1	REAL300012104108	0	43	0.0	-38.47	348.44	0.82	-37.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=O)NC3(CCCC4=CC=CC=C43)C2=O)=N1	REAL300012104109	0	47	0.0	-40.34	384.29	2.83	-37.51
CC1CCC2(CC1)NC(=O)N(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2=O	REAL300012104110	0	46	0.0	-38.80	369.28	1.43	-37.37
CCC1CCC2(CC1)NC(=O)N(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2=O	REAL300012104111	0	49	0.0	-39.09	382.55	1.73	-37.36
CC(C)(C)C1CCC2(CC1)NC(=O)N(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2=O	REAL300012104112	0	55	0.0	-38.79	417.21	2.80	-35.99
COC1=CC=C(C2(C)NC(=O)N(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=O)C=C1	REAL300012104113	0	47	0.0	-40.89	392.67	1.10	-39.79
CC1(C2CC2)NC(=O)N(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1=O	REAL300012104114	0	40	0.0	-39.38	335.54	0.00	-39.38
CC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(C)N1C1=CC=C(C)C=C1	REAL300012104115	0	49	0.0	-35.80	406.63	8.26	-27.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(F)C=C2Cl)=N1	REAL300012104116	0	32	0.0	-40.77	299.32	2.56	-38.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=C(F)C=C3)S2)=N1	REAL300012104117	0	35	0.0	-36.44	321.34	5.17	-31.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=NC=N3)C([N+](=O)[O-])=C2)=N1	REAL300012104118	0	36	0.0	-48.19	323.23	6.04	-42.15
NS(=O)(=O)C1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104119	0	39	0.0	-43.95	344.08	-1.14	-45.09
CNS(=O)(=O)C1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104120	0	42	0.0	-43.06	366.51	0.07	-42.99
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(S(=O)(=O)N(C)C)=C1C	REAL300012104121	0	45	0.0	-39.23	366.73	1.48	-37.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(NC(=O)C3=CC=CS3)=N2)=N1	REAL300012104122	0	38	0.0	-40.65	356.94	2.21	-38.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(NC(=O)C3=CC=CC=C3)=N2)=N1	REAL300012104123	0	41	0.0	-41.01	364.80	3.22	-37.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(NC(=O)C3=CC=CO3)=N2)=N1	REAL300012104124	0	38	0.0	-41.76	349.02	1.23	-40.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN3CCS(=O)(=O)N=C3C=C2)=N1	REAL300012104125	0	36	0.0	-56.86	318.02	-0.23	-57.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C(=O)NC3(CCCC3)C2=O)=N1	REAL300012104126	0	43	0.0	-39.22	354.86	0.66	-38.56
CC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(C)N1C1=CC=CC=C1	REAL300012104127	0	46	0.0	-36.08	386.80	7.65	-28.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(NC(=O)NC3=CC=CC=C3)C=C2)=N1	REAL300012104128	0	44	0.0	-40.04	373.15	3.63	-36.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCCC2=NC3=CC=CC=C3S2)=N1	REAL300012104129	0	42	0.0	-39.92	364.57	4.89	-35.03
COC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC2=C1OCCO2	REAL300012104130	0	42	0.0	-40.64	351.66	2.62	-38.02
CC1=CC(=O)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1[N+](=O)[O-]	REAL300012104131	0	42	0.0	-49.53	363.00	5.40	-44.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC(Cl)=C3OCOC3=C2)=N1	REAL300012104132	0	35	0.0	-39.41	320.80	2.77	-36.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(NC(=O)C3=CC=CS3)C=C2)=N1	REAL300012104133	0	39	0.0	-38.17	350.60	3.44	-34.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCNC(=O)C2=CC=C(F)C=C2F)=N1	REAL300012104134	0	41	0.0	-44.33	357.43	2.49	-41.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C(=O)C3=CC=C(F)C=C3F)CC2)=N1	REAL300012104135	0	45	0.0	-44.56	375.07	4.30	-40.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2=CC=C3CCCC3=C2)=N1	REAL300012104136	0	39	0.0	-37.47	332.76	5.46	-32.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCNC(=O)C2=CSC=C2)=N1	REAL300012104137	0	38	0.0	-41.61	337.82	1.26	-40.35
CC(C)(C)C1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104138	0	46	0.0	-34.94	366.11	6.22	-28.72
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=CC=C(Cl)C=C12	REAL300012104139	0	34	0.0	-36.30	309.86	3.85	-32.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(NC3=CC=CC=C3)C([N+](=O)[O-])=C2)=N1	REAL300012104140	0	42	0.0	-40.12	364.86	5.57	-34.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(S(=O)(=O)NC3CC3)C=C2)=N1	REAL300012104141	0	40	0.0	-40.79	355.44	0.27	-40.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(NC(=O)C3=CC=CS3)=C2)=N1	REAL300012104142	0	39	0.0	-38.95	350.69	3.44	-35.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(C3=CC=C(Br)C=C3)=C2)=N1	REAL300012104143	0	35	0.0	-38.00	326.47	2.85	-35.15
CC1(C)NC(=O)N(CCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1=O	REAL300012104144	0	42	0.0	-41.44	353.35	0.20	-41.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3CCCC3=O)C=C2)=N1	REAL300012104145	0	42	0.0	-41.83	353.93	4.19	-37.64
CC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)NC(=O)C1=CC=CC=C1	REAL300012104146	0	41	0.0	-42.90	345.24	2.45	-40.45
CC(=O)NC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(Cl)C=C1	REAL300012104147	0	41	0.0	-39.33	355.25	2.69	-36.64
CC(=O)NC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(Br)C=C1	REAL300012104148	0	41	0.0	-39.31	359.81	2.79	-36.52
CC(=O)NC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(C)C=C1	REAL300012104149	0	44	0.0	-44.52	369.53	3.17	-41.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=O)C3=CC=CC=C3S2(=O)=O)=N1	REAL300012104150	0	36	0.0	-44.72	329.99	-0.94	-45.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2NC(=O)C3=CC=CC=C3C2=O)=N1	REAL300012104151	0	40	0.0	-42.37	345.10	1.02	-41.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(C3=CC=CC=C3)C=C2Cl)=N1	REAL300012104152	0	42	0.0	-41.38	367.05	5.91	-35.47
COC1=CN(C2=CC=CC=C2)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104153	0	39	0.0	-39.33	337.51	2.77	-36.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C(=O)CCC3=O)C=C2)=N1	REAL300012104154	0	41	0.0	-40.04	354.62	3.57	-36.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C(=O)CNC3=O)C=C2)=N1	REAL300012104155	0	40	0.0	-40.30	349.27	1.04	-39.26
C=CCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012104156	0	40	0.0	-36.80	339.88	3.14	-33.66
COC1=CC=C(C2=NOC(CCCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=N2)C=C1	REAL300012104157	0	46	0.0	-44.49	391.75	2.63	-41.86
CC(=O)N1CCC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C21	REAL300012104158	0	39	0.0	-42.15	325.45	3.47	-38.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=C(C(F)(F)F)C=N3)C=C2)=N1	REAL300012104159	0	41	0.0	-36.29	372.22	3.78	-32.51
CS(=O)(=O)CC1=NC2=CC=CC=C2N1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104160	0	43	0.0	-53.57	377.70	1.18	-52.39
CCN(CC)S(=O)(=O)C1=CN(C)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104161	0	46	0.0	-42.93	390.19	1.34	-41.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC(Cl)=CC=C2Cl)=N1	REAL300012104162	0	32	0.0	-38.22	309.64	3.01	-35.21
CN1C=C(S(=O)(=O)N2CCOCC2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104163	0	45	0.0	-43.89	380.53	-0.78	-44.67
CC1=CC=CC2=C1N=CN(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2=O	REAL300012104164	0	39	0.0	-47.03	333.85	4.17	-42.86
CC1=NC(C2=CC=CC=C2)=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104165	0	40	0.0	-36.32	333.79	4.68	-31.64
CC1=CC=C(OCC2=NC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=C1	REAL300012104166	0	44	0.0	-42.14	386.03	4.11	-38.03
CC1=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(=O)NC(N2CCOCC2)=N1	REAL300012104167	0	49	0.0	-40.23	391.97	3.19	-37.04
COCC1=NC(OC)=C2C(C)=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)SC2=N1	REAL300012104168	0	43	0.0	-38.19	373.61	-0.23	-38.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC(OCC3=CC=CC=C3)=C2)=N1	REAL300012104169	0	46	0.0	-37.17	389.26	6.88	-30.29
CC1OC2=CC=CC=C2N(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1=O	REAL300012104170	0	43	0.0	-40.68	355.25	2.96	-37.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012104171	0	34	0.0	-38.87	307.14	4.11	-34.76
COC1=CC=C2C(C)=C(CCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C(=O)OC2=C1	REAL300012104172	0	46	0.0	-43.19	379.74	5.08	-38.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(CC3=CC=CC=C3Cl)N=C2)=N1	REAL300012104173	0	38	0.0	-40.41	343.96	4.50	-35.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C=NC3=CC=CC=C3C2=O)=N1	REAL300012104174	0	39	0.0	-45.81	335.18	4.08	-41.73
CC1=CC=CC2=C1N=CN(CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2=O	REAL300012104175	0	42	0.0	-42.47	355.34	4.91	-37.56
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C2C=NN(C(C)C)C2=N1	REAL300012104176	0	42	0.0	-37.83	349.07	3.55	-34.28
CNS(=O)(=O)C1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104177	0	40	0.0	-43.04	354.58	-0.23	-43.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC(Cl)=CC=C2Cl)=N1	REAL300012104178	0	32	0.0	-34.69	308.99	4.54	-30.15
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC(Cl)=CC(Cl)=C2)=N1	REAL300012104179	0	32	0.0	-35.96	311.48	4.63	-31.33
COC1=CC=C(SCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104180	0	39	0.0	-37.29	338.17	3.64	-33.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC(Cl)=C3OCCOC3=C2)=N1	REAL300012104181	0	37	0.0	-40.89	328.88	2.80	-38.09
CCN1C(=O)N(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C21	REAL300012104182	0	41	0.0	-40.43	349.44	4.52	-35.91
CC1=NC2=CC(F)=CC=C2C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104183	0	36	0.0	-37.10	310.17	3.31	-33.79
CC1=NC(COC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)=NO1	REAL300012104184	0	40	0.0	-39.65	349.25	1.22	-38.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(C3=CC=CC=C3[N+](=O)[O-])S2)=N1	REAL300012104185	0	41	0.0	-44.63	374.15	6.50	-38.13
COC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Cl	REAL300012104186	0	36	0.0	-37.86	323.46	3.45	-34.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2SC3=CC=C(Cl)C=C3NC2=O)=N1	REAL300012104187	0	37	0.0	-38.44	343.06	2.56	-35.88
CC1=NOC2=NC(C3CC3)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C12	REAL300012104188	0	39	0.0	-40.43	326.43	1.11	-39.32
CC1=NOC2=NC(C3=CC=CO3)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C12	REAL300012104189	0	39	0.0	-40.94	338.32	0.86	-40.08
CC1=CC(C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C3C(C)=NOC3=N2)=C(C)O1	REAL300012104190	0	45	0.0	-41.06	380.51	3.04	-38.02
COC1=CC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C(C)N=C2C=C1	REAL300012104191	0	40	0.0	-37.28	335.82	2.88	-34.40
CC(C)N1N=CC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C(C3=CC=CO3)N=C21	REAL300012104192	0	46	0.0	-38.22	392.85	4.75	-33.47
CC(C)N1N=CC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C(C3=CC=CS3)N=C21	REAL300012104193	0	46	0.0	-37.13	400.71	5.68	-31.45
CC1=NC2=C3C=CC=CC3=NN2C(C)=C1CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104194	0	48	0.0	-47.98	392.42	5.98	-42.00
CC(=O)NC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CS1	REAL300012104195	0	38	0.0	-42.96	339.26	1.51	-41.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC=C2OC(F)F)=N1	REAL300012104196	0	36	0.0	-37.82	316.14	3.22	-34.60
CCC(C)C1=CC=CC=C1OCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104197	0	44	0.0	-37.26	353.94	4.61	-32.65
CC1=CC=C(C2=CN=C(CCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)O2)C=C1	REAL300012104198	0	43	0.0	-38.83	366.49	3.06	-35.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(S(=O)(=O)C3=CC=CC=C3)C2)=N1	REAL300012104199	0	46	0.0	-40.57	383.42	2.20	-38.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(Cl)C=C2Cl)=N1	REAL300012104200	0	34	0.0	-36.61	320.40	4.82	-31.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=NC3=CC=C(Br)C=C3C2=O)=N1	REAL300012104201	0	36	0.0	-42.98	334.96	3.94	-39.04
CCCN(CCC)S(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104202	0	51	0.0	-40.07	426.15	3.65	-36.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC(Br)=CC=C3O2)=N1	REAL300012104203	0	31	0.0	-36.42	296.23	3.40	-33.02
CC1=NN(C)C2=NC(C)=C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C(C)=C12	REAL300012104204	0	45	0.0	-44.04	361.57	3.65	-40.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C3=NC=CC=N3)C2)=N1	REAL300012104205	0	41	0.0	-37.71	333.33	3.15	-34.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C3=CN=CC=N3)C2)=N1	REAL300012104206	0	41	0.0	-39.03	333.13	0.52	-38.51
CC(C)C(=O)NC1=NC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CS1	REAL300012104207	0	40	0.0	-40.18	348.99	1.56	-38.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(NC(=O)C3=CC=CC=C3F)=N2)=N1	REAL300012104208	0	41	0.0	-43.64	369.36	3.28	-40.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C(=O)C3=CC=CN=C3)CC2)=N1	REAL300012104209	0	44	0.0	-43.90	357.31	2.43	-41.47
CC(C)C(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104210	0	41	0.0	-38.32	342.88	2.79	-35.53
CC(C)C1=CC=CC(OC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104211	0	44	0.0	-34.41	354.99	4.41	-30.00
CC1=CC=C(C(C)C)C(OC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104212	0	47	0.0	-35.45	374.80	5.19	-30.26
CC1=CC(OC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1C(C)C	REAL300012104213	0	47	0.0	-34.33	372.38	4.96	-29.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC3=CC=C(Br)C=C3C=C2)=N1	REAL300012104214	0	38	0.0	-39.78	344.14	4.82	-34.96
CC1=NN(C2=NC(C)=CC(C)=N2)C(C)=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104215	0	48	0.0	-46.75	398.97	6.76	-39.99
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104216	0	44	0.0	-40.80	381.46	5.73	-35.07
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104217	0	44	0.0	-41.15	371.14	5.27	-35.88
C=CCNS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1F	REAL300012104218	0	40	0.0	-40.54	355.15	-0.26	-40.80
CC1=CC=CC(NC(=O)N2CCCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2)=C1	REAL300012104219	0	50	0.0	-41.24	397.60	4.69	-36.55
CC1=CC=C(C(=O)N2CCCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2)C=C1	REAL300012104220	0	48	0.0	-40.31	383.31	4.83	-35.48
CC1=CC(C)=CC(C(=O)N2CCCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2)=C1	REAL300012104221	0	51	0.0	-42.20	405.29	5.50	-36.70
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1NC(=O)C1=CC=CC=C1F	REAL300012104222	0	45	0.0	-44.54	381.56	5.40	-39.14
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1NC(=O)C1=CC=CC=C1	REAL300012104223	0	45	0.0	-40.48	377.00	5.33	-35.15
CCCCS(=O)(=O)N1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012104224	0	48	0.0	-43.01	390.33	1.49	-41.52
CC(NS(=O)(=O)C1=CC=CS1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104225	0	36	0.0	-39.80	334.86	-1.67	-41.47
CCS(=O)(=O)N1CCCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1	REAL300012104226	0	42	0.0	-43.04	346.84	-0.07	-43.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNS(=O)(=O)C2=CC=CS2)=N1	REAL300012104227	0	33	0.0	-41.32	315.08	-2.29	-43.61
CN(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)S(=O)(=O)C1=CC=CC=C1	REAL300012104228	0	39	0.0	-42.51	342.75	0.61	-41.90
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(NC(=O)C2=CC=CC(F)=C2)=C1	REAL300012104229	0	42	0.0	-43.49	372.73	4.15	-39.34
COCCNS(=O)(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104230	0	43	0.0	-41.19	377.47	-1.45	-42.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(S(=O)(=O)NC3CCCC3)=C2)=N1	REAL300012104231	0	46	0.0	-40.25	388.31	1.48	-38.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(S(=O)(=O)NCC3CC3)=C2)=N1	REAL300012104232	0	43	0.0	-40.67	375.59	1.01	-39.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(S(=O)(=O)N3CCNC(=O)C3)=C2)=N1	REAL300012104233	0	44	0.0	-45.44	380.97	-1.53	-46.97
CC1=C(C(=O)NC2=NC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=CO1	REAL300012104234	0	41	0.0	-41.19	366.48	1.98	-39.21
CCOC(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C1C	REAL300012104235	0	39	0.0	-38.97	334.87	2.58	-36.39
CC(C)NC(=O)NC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104236	0	43	0.0	-39.69	359.82	1.60	-38.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3CCOC3=O)C=C2)=N1	REAL300012104237	0	37	0.0	-42.47	315.07	2.49	-39.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3CCNC3=O)=C2)=N1	REAL300012104238	0	38	0.0	-42.59	318.93	1.14	-41.45
CC1=CC=C(C(=O)CCC(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012104239	0	44	0.0	-39.39	387.82	5.13	-34.26
CC1=CC=C(N2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=N2)C=C1	REAL300012104240	0	37	0.0	-41.61	322.36	2.79	-38.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3CCCCCN3C(C3=CC=CC=C3)=N2)=N1	REAL300012104241	0	48	0.0	-39.84	376.75	6.16	-33.68
COC1=CC=C(CSCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1[N+](=O)[O-]	REAL300012104242	0	41	0.0	-47.05	368.63	5.20	-41.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3CCCCC3=O)C=C2)=N1	REAL300012104243	0	45	0.0	-38.69	366.88	4.78	-33.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC(NC(=O)C3CC3)=C2)=N1	REAL300012104244	0	43	0.0	-43.03	364.06	2.41	-40.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(CC(F)(F)F)C2)=N1	REAL300012104245	0	35	0.0	-43.87	311.99	1.40	-42.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)C3=CC=C(C(F)(F)F)C=C3S2)=N1	REAL300012104246	0	34	0.0	-34.59	335.99	5.16	-29.43
CC1=CC(C)=C(C(=O)CCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C1	REAL300012104247	0	48	0.0	-41.81	394.48	6.42	-35.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCCC2=CC=C(Br)C=C2)=N1	REAL300012104248	0	40	0.0	-36.41	354.20	6.09	-30.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC=C3Br)N=N2)=N1	REAL300012104249	0	34	0.0	-44.42	316.73	2.75	-41.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=C(Br)C=C3)S2)=N1	REAL300012104250	0	35	0.0	-35.89	336.23	5.74	-30.15
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC=C3F)S2)=N1	REAL300012104251	0	35	0.0	-35.78	324.32	5.25	-30.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(CS(=O)(=O)C3=CC=CC=C3)=C2)=N1	REAL300012104252	0	44	0.0	-42.95	388.54	3.86	-39.09
CC1=CC=C(C2=NC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)O1	REAL300012104253	0	37	0.0	-43.24	337.44	2.78	-40.46
COC1=NN(C)C2=NC(C)=C(CCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C(C)=C12	REAL300012104254	0	49	0.0	-42.27	399.16	2.05	-40.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC(NC(=O)C3=CC=CO3)=C2)=N1	REAL300012104255	0	43	0.0	-46.34	372.88	1.96	-44.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(S(=O)(=O)N3CCOCC3)O2)=N1	REAL300012104256	0	41	0.0	-43.58	358.56	-1.99	-45.57
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC(F)F	REAL300012104257	0	36	0.0	-37.75	314.88	1.92	-35.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3F)C=C2)=N1	REAL300012104258	0	35	0.0	-43.84	310.39	3.60	-40.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(F)C=C3)C=C2)=N1	REAL300012104259	0	35	0.0	-40.11	312.41	3.50	-36.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(S(=O)(=O)N3CCCC3)O2)=N1	REAL300012104260	0	40	0.0	-42.98	352.13	-0.41	-43.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOCCC2=CC=CC=C2)=N1	REAL300012104261	0	44	0.0	-37.38	366.92	4.74	-32.64
CN(C)S(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012104262	0	36	0.0	-43.14	325.69	-1.57	-44.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=O)N(C4CC4)S(=O)(=O)C3=C2)=N1	REAL300012104263	0	40	0.0	-42.43	355.91	0.50	-41.93
CC(C)N1C(=O)C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2S1(=O)=O	REAL300012104264	0	42	0.0	-41.95	366.66	0.36	-41.59
CC1=CC=C(C2=NOC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)C=C1	REAL300012104265	0	37	0.0	-38.61	323.38	4.10	-34.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC(F)=C3)=NO2)=N1	REAL300012104266	0	34	0.0	-37.85	308.40	3.49	-34.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(C3=CC=CC(Cl)=C3)S2)=N1	REAL300012104267	0	39	0.0	-37.51	363.06	6.86	-30.65
CC(C)(C)NS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012104268	0	42	0.0	-42.71	354.77	-1.29	-44.00
CNS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012104269	0	33	0.0	-43.51	306.80	-3.38	-46.89
CC(C)(C)C1=NOC(CCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012104270	0	44	0.0	-41.96	364.70	1.89	-40.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=NC(C3=CC=C(Cl)C=C3)=NO2)=N1	REAL300012104271	0	42	0.0	-42.69	379.03	3.84	-38.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC(C3=CC=CC=N3)=NO2)=N1	REAL300012104272	0	38	0.0	-43.75	336.15	0.66	-43.09
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(CC2=CC=C(F)C=C2)=N1	REAL300012104273	0	40	0.0	-36.99	358.88	4.58	-32.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C(=O)N3CCCC3)CC2)=N1	REAL300012104274	0	47	0.0	-41.81	360.07	2.63	-39.18
CCN(CC)C(=O)N1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012104275	0	49	0.0	-41.12	372.71	3.25	-37.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C(=O)NC3CC3)CC2)=N1	REAL300012104276	0	44	0.0	-42.07	352.08	2.04	-40.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C(=O)N3CCCC3)C2)=N1	REAL300012104277	0	47	0.0	-42.77	360.13	2.68	-40.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC([N+](=O)[O-])=C3)C=C2)=N1	REAL300012104278	0	37	0.0	-49.38	334.27	4.10	-45.28
CC1=C(C)C2=C(SCCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=CN=C2S1	REAL300012104279	0	42	0.0	-41.38	371.07	4.87	-36.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=C(Cl)C(Cl)=C3)=N2)=N1	REAL300012104280	0	34	0.0	-39.82	343.33	4.05	-35.77
CN1C=C(C2=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=N1	REAL300012104281	0	34	0.0	-41.75	316.56	0.89	-40.86
CCCN(CC)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012104282	0	44	0.0	-35.60	360.15	4.90	-30.70
CC1=NN(C(F)F)C(C)=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104283	0	37	0.0	-42.36	319.34	1.94	-40.42
COC1=CC(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1[N+](=O)[O-]	REAL300012104284	0	38	0.0	-47.06	332.37	2.69	-44.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(S(=O)(=O)N3CCSCC3)=CN2)=N1	REAL300012104285	0	42	0.0	-42.28	370.87	-0.17	-42.45
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=CC=C(Cl)S2)=N1	REAL300012104286	0	34	0.0	-34.78	338.27	3.49	-31.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOC2=CC=C(F)C=C2F)=N1	REAL300012104287	0	38	0.0	-41.83	332.51	3.62	-38.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOC2=CC=CC(Cl)=C2Cl)=N1	REAL300012104288	0	38	0.0	-41.99	351.08	4.52	-37.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=C(Cl)C=C3Cl)=N2)=N1	REAL300012104289	0	34	0.0	-35.84	338.50	3.88	-31.96
CS(=O)(=O)C1=CC=C(OCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104290	0	44	0.0	-47.31	380.55	1.01	-46.30
CS(=O)(=O)C1=CC=C(OCCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104291	0	47	0.0	-45.47	402.05	1.79	-43.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(CN3CCS(=O)(=O)CC3)=C2)=N1	REAL300012104292	0	46	0.0	-44.42	382.30	0.08	-44.34
CC(OC1=CC=C(F)C(F)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104293	0	35	0.0	-37.12	307.49	2.62	-34.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC=C3F)N=C2)=N1	REAL300012104294	0	35	0.0	-42.00	310.33	3.75	-38.25
CC(C)C1=NC=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012104295	0	35	0.0	-34.60	312.56	2.68	-31.92
CS(=O)(=O)NC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1F	REAL300012104296	0	36	0.0	-41.76	325.43	-0.81	-42.57
CC1=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300012104297	0	45	0.0	-40.73	378.93	2.55	-38.18
CC(=O)C1=CC=CC(OCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104298	0	43	0.0	-46.06	362.64	3.98	-42.08
CC(=O)CCC1=CC=C(OC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104299	0	46	0.0	-38.89	382.37	4.64	-34.25
CC(=O)C1=CC=CC(OC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104300	0	40	0.0	-40.71	335.26	2.90	-37.81
COCCS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104301	0	41	0.0	-42.19	362.27	-0.06	-42.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=CC=C3CC4=CC=CC=C4C3=C2)=N1	REAL300012104302	0	48	0.0	-39.49	395.63	8.79	-30.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(Br)C=C2F)=N1	REAL300012104303	0	34	0.0	-37.35	316.66	4.56	-32.79
CC1=NC(S(=O)(=O)NCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CN1C	REAL300012104304	0	39	0.0	-44.96	346.68	-2.41	-47.37
CC1=NC(S(=O)(=O)NCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CN1C	REAL300012104305	0	42	0.0	-50.07	368.20	-1.64	-51.71
CC1=NC(S(=O)(=O)N2CCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2)=CN1C	REAL300012104306	0	49	0.0	-46.86	406.51	1.13	-45.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=CC=C4OCOC4=C3)=N2)=N1	REAL300012104307	0	40	0.0	-41.31	359.04	2.58	-38.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(S(=O)(=O)C3CCCC3)C=C2)=N1	REAL300012104308	0	44	0.0	-41.93	370.00	2.77	-39.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3Cl)C=C2)=N1	REAL300012104309	0	35	0.0	-41.58	318.11	4.14	-37.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC=C3Cl)N=C2)=N1	REAL300012104310	0	35	0.0	-40.12	318.04	4.29	-35.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=CC=CC=C3Cl)S2)=N1	REAL300012104311	0	34	0.0	-36.79	323.74	4.24	-32.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC=C3Cl)N=N2)=N1	REAL300012104312	0	34	0.0	-44.62	313.09	2.65	-41.97
CCCN(CC)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104313	0	45	0.0	-33.71	362.94	5.47	-28.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=C(F)C=CC=C3F)=N2)=N1	REAL300012104314	0	34	0.0	-40.08	319.62	3.30	-36.78
COC1=CC=CC=C1C1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CS1	REAL300012104315	0	38	0.0	-38.27	337.77	2.62	-35.65
CC1=NN(CC2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)C(C)=C1	REAL300012104316	0	44	0.0	-39.05	368.06	4.99	-34.06
CCN(CC1=CC=CC=C1)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104317	0	49	0.0	-35.03	396.32	7.54	-27.49
CC(=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(C(F)(F)F)C=C1	REAL300012104318	0	38	0.0	-36.45	336.78	5.22	-31.23
CC(C)(C)NS(=O)(=O)CC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104319	0	48	0.0	-41.67	393.95	1.28	-40.39
COC1=CC=C2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)COC2=C1	REAL300012104320	0	40	0.0	-37.86	329.55	2.19	-35.67
CCN(C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1)C(C)C	REAL300012104321	0	45	0.0	-33.58	351.77	4.97	-28.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=C3OCCOC3=C2)=N1	REAL300012104322	0	34	0.0	-36.33	311.28	2.23	-34.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(F)C=C2[N+](=O)[O-])=N1	REAL300012104323	0	34	0.0	-40.10	307.43	4.13	-35.97
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C1=CC=CC=C1	REAL300012104324	0	42	0.0	-35.72	354.58	5.49	-30.23
CC1=CC=C2C(=C1)SC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=C2Cl	REAL300012104325	0	34	0.0	-34.25	318.37	4.83	-29.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C(=O)C3=CC=CC=C3)C2)=N1	REAL300012104326	0	45	0.0	-42.70	361.83	4.14	-38.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CC=C(F)C=C3)C2)=N1	REAL300012104327	0	39	0.0	-42.68	329.56	3.40	-39.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(N3CCOCC3)C=C2)=N1	REAL300012104328	0	45	0.0	-36.75	361.86	2.41	-34.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CS3)NC2=O)=N1	REAL300012104329	0	35	0.0	-40.86	316.41	2.88	-37.98
CCCN(C)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104330	0	42	0.0	-34.02	341.13	4.54	-29.48
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OCC3=CC=C(Cl)C=C3)=C2)=N1	REAL300012104331	0	42	0.0	-36.43	374.47	6.22	-30.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCCOC2=CC=C(Br)C=C2)=N1	REAL300012104332	0	41	0.0	-37.21	362.67	4.89	-32.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=C4OCCOC4=C3)=N2)=N1	REAL300012104333	0	40	0.0	-39.54	355.94	2.25	-37.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OC3CCCC3)=C2)=N1	REAL300012104334	0	42	0.0	-34.35	340.56	4.61	-29.74
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=C2OCCOC2=C1	REAL300012104335	0	43	0.0	-44.21	362.59	1.60	-42.61
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC2=CC=CN=C2C=C1	REAL300012104336	0	42	0.0	-42.91	359.06	2.81	-40.10
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012104337	0	47	0.0	-42.01	390.62	5.82	-36.19
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=CC2=CN=CC=C21	REAL300012104338	0	42	0.0	-45.57	356.71	3.06	-42.51
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=C(OC(F)F)C=C1	REAL300012104339	0	41	0.0	-42.20	355.72	1.99	-40.21
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=CC2=NC=CC=C21	REAL300012104340	0	42	0.0	-43.74	356.72	2.96	-40.78
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=CC2=CC=CN=C21	REAL300012104341	0	42	0.0	-47.39	359.28	3.08	-44.31
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=C(F)C(Cl)=C1	REAL300012104342	0	37	0.0	-43.40	340.67	3.03	-40.37
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300012104343	0	47	0.0	-40.95	385.69	3.27	-37.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC([N+](=O)[O-])=C3)N=N2)=N1	REAL300012104344	0	36	0.0	-52.20	329.22	2.77	-49.43
CC1CCC(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)CC1	REAL300012104345	0	48	0.0	-42.82	371.54	4.03	-38.79
COC(=O)C1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104346	0	40	0.0	-40.40	344.72	4.57	-35.83
CC1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1	REAL300012104347	0	37	0.0	-39.43	319.81	3.84	-35.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(F)C=C3)C=CC2=O)=N1	REAL300012104348	0	37	0.0	-42.68	327.69	4.16	-38.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300012104349	0	35	0.0	-40.22	313.25	1.96	-38.26
CN1C2=C(C(=O)N(C)C1=O)N(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C=N2	REAL300012104350	0	40	0.0	-44.86	341.90	3.03	-41.83
CC1CCN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2[N+](=O)[O-])CC1	REAL300012104351	0	48	0.0	-38.95	390.19	6.27	-32.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCSC2=CC=CC=C2Cl)=N1	REAL300012104352	0	35	0.0	-36.74	323.71	4.80	-31.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(C(=O)C3=CC=CC=C3)C=C2)=N1	REAL300012104353	0	44	0.0	-41.99	373.45	5.19	-36.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012104354	0	38	0.0	-39.26	342.17	1.81	-37.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300012104355	0	35	0.0	-38.30	335.36	1.79	-36.51
CC(=O)C1=CC=C(OCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104356	0	43	0.0	-45.08	362.47	4.00	-41.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNS(=O)(=O)C2=CC=CC=C2F)=N1	REAL300012104357	0	39	0.0	-44.81	342.98	-0.78	-45.59
CCCCCC1=CC=C(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104358	0	51	0.0	-37.10	417.51	7.51	-29.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C3=CC=CC=C3N=C2COC2=CC=CC=C2)=N1	REAL300012104359	0	48	0.0	-45.76	405.02	6.25	-39.51
COC1=CC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=C2C=C1	REAL300012104360	0	37	0.0	-38.65	317.44	1.96	-36.69
CN1C(=O)N(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C21	REAL300012104361	0	41	0.0	-40.30	349.12	4.30	-36.00
CC1=CC=C(C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NN2)C=C1	REAL300012104362	0	38	0.0	-37.18	326.58	2.91	-34.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(C3=CC=C(Cl)C=C3)=C2)=N1	REAL300012104363	0	34	0.0	-38.07	318.75	3.94	-34.13
NC(=O)NC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1	REAL300012104364	0	40	0.0	-45.40	341.34	-0.30	-45.70
CN1C(=O)CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C21	REAL300012104365	0	39	0.0	-38.74	320.64	2.98	-35.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2CC3=CC=CC=C3NC2=O)=N1	REAL300012104366	0	42	0.0	-42.70	345.15	2.92	-39.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)NC3=CC(F)=CC=C32)=N1	REAL300012104367	0	36	0.0	-41.22	311.03	1.34	-39.88
CS(=O)(=O)N1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012104368	0	39	0.0	-43.31	325.85	-0.98	-44.29
CC1=NN(C)C2=NC(C)=C(CCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C(C)=C12	REAL300012104369	0	48	0.0	-42.92	383.74	4.48	-38.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC(Br)=CC=C3OC2)=N1	REAL300012104370	0	34	0.0	-35.06	313.59	3.53	-31.53
CN1C(=O)C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CN=C2N(C)C1=O	REAL300012104371	0	39	0.0	-38.97	334.78	2.09	-36.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CN(C3=CC=CC=C3)N=C2)=N1	REAL300012104372	0	38	0.0	-41.10	327.24	4.30	-36.80
CN1C(=O)NC(=O)C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CN=C21	REAL300012104373	0	36	0.0	-39.16	315.76	-0.06	-39.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C3C(=C2)C=NN3CC2=CC=CC=C2)=N1	REAL300012104374	0	43	0.0	-39.48	372.70	5.46	-34.02
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(COC2=CC=C(F)C=C2)=N1	REAL300012104375	0	41	0.0	-37.65	367.35	3.39	-34.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=CC=CC3=O)O2)=N1	REAL300012104376	0	38	0.0	-51.40	334.89	3.34	-48.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OCC3CCCO3)=C2)=N1	REAL300012104377	0	43	0.0	-36.91	354.90	3.12	-33.79
CC1=CC=C(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)C=C1F	REAL300012104378	0	42	0.0	-44.83	349.80	4.05	-40.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(CN3C(=O)CSC3=O)=C2)=N1	REAL300012104379	0	39	0.0	-37.89	352.05	3.19	-34.70
CC1=C2C(=CC=C1)SC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=C2Cl	REAL300012104380	0	34	0.0	-34.56	311.56	4.63	-29.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C3=NN4N=NN=C4C=C3)CC2)=N1	REAL300012104381	0	43	0.0	-51.93	353.47	2.22	-49.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(OC3=CC=CC=N3)C=C2)=N1	REAL300012104382	0	42	0.0	-41.84	363.52	2.30	-39.54
CN1N=CC2=C1N=C(CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)NC2=O	REAL300012104383	0	39	0.0	-46.46	337.71	1.11	-45.35
COC1=CC=CC=C1C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NO1	REAL300012104384	0	38	0.0	-38.82	332.92	2.86	-35.96
COC1=CC=C(C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NN2)C(OC)=C1	REAL300012104385	0	43	0.0	-38.56	365.59	1.04	-37.52
COC1=CC=CC=C1C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1	REAL300012104386	0	39	0.0	-37.57	336.20	1.73	-35.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCN2C=NC3=CC=CC=C32)=N1	REAL300012104387	0	40	0.0	-45.74	338.75	5.47	-40.27
CC1=NN(C2=CC=CC=C2)C2=NC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C12	REAL300012104388	0	43	0.0	-41.78	369.95	5.72	-36.06
CC1=NN(C2=CC=CC=N2)C(C)=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104389	0	43	0.0	-42.60	360.94	5.00	-37.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C3=NC4=CC=CC=C4S3)C2)=N1	REAL300012104390	0	45	0.0	-39.94	377.35	3.90	-36.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3CCCCC3)C2)=N1	REAL300012104391	0	45	0.0	-40.10	350.42	3.41	-36.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OCC3=CC=CN=C3)C=C2)=N1	REAL300012104392	0	41	0.0	-37.74	352.51	3.92	-33.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C([N+](=O)[O-])C=C2Br)=N1	REAL300012104393	0	30	0.0	-37.03	290.75	3.53	-33.50
CSC1=CC=C(OC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104394	0	39	0.0	-35.76	334.98	3.51	-32.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(S(=O)(=O)C(F)F)C=C2)=N1	REAL300012104395	0	37	0.0	-44.02	342.29	1.04	-42.98
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1NC(=O)NC(C)(C)C	REAL300012104396	0	49	0.0	-39.15	391.47	2.91	-36.24
COC1=CC=C(SCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012104397	0	43	0.0	-40.10	367.39	3.55	-36.55
COC1=CC=C(S(=O)(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012104398	0	45	0.0	-46.29	387.89	0.11	-46.18
CC1=CC=C(N2CCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2)N=C1	REAL300012104399	0	45	0.0	-37.04	358.44	3.56	-33.48
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CN(CC3=CC=CC=C3)CCO2)=N1	REAL300012104400	0	44	0.0	-35.60	351.31	1.10	-34.50
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1NC(=O)NC1=CC=CC=C1	REAL300012104401	0	47	0.0	-41.11	391.52	4.59	-36.52
CC(C)CNC(=O)N1CCCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1	REAL300012104402	0	49	0.0	-39.92	382.33	2.69	-37.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(S(=O)(=O)CC3=CC=CC=C3)C=C2)=N1	REAL300012104403	0	44	0.0	-43.83	388.50	3.90	-39.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C(=O)COC3=CC=CC=C3)C2)=N1	REAL300012104404	0	49	0.0	-47.05	395.54	5.09	-41.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCS(=O)(=O)C2=CC=C3OCCCOC3=C2)=N1	REAL300012104405	0	46	0.0	-46.21	392.01	0.85	-45.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCSC2=CC=C3OCCCOC3=C2)=N1	REAL300012104406	0	44	0.0	-40.03	371.51	4.28	-35.75
CCCNC(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104407	0	41	0.0	-40.20	345.90	2.31	-37.89
CC(C)CNC(=O)N1CCCC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1	REAL300012104408	0	52	0.0	-44.59	401.85	3.36	-41.23
COCCC(CC1=CC=CC(Br)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104409	0	44	0.0	-36.71	381.26	4.62	-32.09
CC(C)(C)C1=CC=C(OC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=N2)C=C1	REAL300012104410	0	50	0.0	-36.97	409.43	5.09	-31.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC(OCC(F)(F)F)=C2)=N1	REAL300012104411	0	34	0.0	-36.74	315.27	0.51	-36.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=CC(Cl)=C3Cl)N=C2)=N1	REAL300012104412	0	38	0.0	-39.10	364.42	3.65	-35.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=CC(Cl)=C3Cl)C=C2)=N1	REAL300012104413	0	39	0.0	-37.32	367.86	6.33	-30.99
CC(C)(C)NC(=O)NC1=CC=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104414	0	46	0.0	-39.15	385.39	3.16	-35.99
CC(C)C1=CC=C(N2CCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=O)C=C1	REAL300012104415	0	48	0.0	-44.65	383.58	5.25	-39.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(N3CCOC3=O)=CC=C2F)=N1	REAL300012104416	0	37	0.0	-44.81	319.65	2.83	-41.98
CC(C)(C)C(=O)NCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104417	0	47	0.0	-39.60	387.40	3.48	-36.12
CCS(=O)(=O)NCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104418	0	42	0.0	-44.24	367.87	0.14	-44.10
CC(=O)NC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(F)C=C1F	REAL300012104419	0	41	0.0	-38.08	350.38	2.06	-36.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C(=O)N3CCCC3)=N2)=N1	REAL300012104420	0	41	0.0	-40.83	342.63	2.43	-38.40
CC(C)CC(=O)NC1=CC=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104421	0	44	0.0	-39.13	373.75	4.64	-34.49
CC(C)C(=O)N(C)CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104422	0	47	0.0	-38.90	381.58	4.80	-34.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C(=O)CCC3=CC(F)=CC=C32)=N1	REAL300012104423	0	42	0.0	-38.34	351.11	4.33	-34.01
CC(C)(C)CNC(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104424	0	47	0.0	-38.72	381.73	3.78	-34.94
CC(C)(C)CC1=NC(C2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=NO1	REAL300012104425	0	48	0.0	-37.15	396.98	4.42	-32.73
CN(CC(C)(C)C)C(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104426	0	50	0.0	-40.14	390.27	5.11	-35.03
CC(C)C(=O)NC1=CC=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104427	0	41	0.0	-39.29	355.33	3.95	-35.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC23CCOC2=CC=CC=C23)=N1	REAL300012104428	0	40	0.0	-36.97	325.25	3.98	-32.99
CC1=CC(N2CCCS2(=O)=O)=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104429	0	43	0.0	-46.90	359.11	1.47	-45.43
CC1=CC=C(C)C(SCC2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=C1	REAL300012104430	0	48	0.0	-35.77	407.99	8.56	-27.21
CCC1=CC=C(C(=O)N2CCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2)O1	REAL300012104431	0	48	0.0	-40.50	386.80	4.13	-36.37
CC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1C(F)(F)F	REAL300012104432	0	40	0.0	-38.90	337.87	5.03	-33.87
CC(C)(C)CC1=NC(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)=NO1	REAL300012104433	0	48	0.0	-37.15	396.90	4.43	-32.72
CN1C=C(C2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)C=N1	REAL300012104434	0	38	0.0	-39.05	326.55	3.72	-35.33
CCC1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1F	REAL300012104435	0	40	0.0	-41.92	348.19	4.56	-37.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C(=O)C3=CC=CC=C3)CC2)=N1	REAL300012104436	0	45	0.0	-41.20	360.67	4.12	-37.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=C(C(F)(F)F)C=CC2=O)=N1	REAL300012104437	0	34	0.0	-44.57	310.96	2.41	-42.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=NC(C3=CC=CC=C3)=N2)=N1	REAL300012104438	0	36	0.0	-42.31	319.72	2.01	-40.30
CC1=CC(=O)OC2=CC(OCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C12	REAL300012104439	0	40	0.0	-51.26	342.71	4.01	-47.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C3=CC=CC=C3SC3=CC=CC=C32)=N1	REAL300012104440	0	45	0.0	-39.87	374.94	6.99	-32.88
CC1CC(C)CN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2[N+](=O)[O-])C1	REAL300012104441	0	51	0.0	-38.71	410.98	6.84	-31.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC3=CC=CC=C3S2)=N1	REAL300012104442	0	36	0.0	-38.92	321.57	3.33	-35.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)C3=C(Cl)C=C(Cl)C=C3S2)=N1	REAL300012104443	0	31	0.0	-33.82	325.22	5.03	-28.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300012104444	0	35	0.0	-40.72	315.60	2.93	-37.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC=C2C2=CC=CC=C2)=N1	REAL300012104445	0	42	0.0	-39.01	355.61	5.69	-33.32
CC1=CC=C(C(C)C)C(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104446	0	44	0.0	-37.16	356.90	4.62	-32.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Cl)C(NC(=O)C3=CC=CS3)=C2)=N1	REAL300012104447	0	39	0.0	-36.69	364.45	4.06	-32.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(OCC3=CC=CC=C3)C=C2)=N1	REAL300012104448	0	46	0.0	-40.22	388.14	5.20	-35.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCSC2=CC=C(Cl)C=C2)=N1	REAL300012104449	0	35	0.0	-36.48	325.42	4.86	-31.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(Br)C=C2)=N1	REAL300012104450	0	32	0.0	-38.17	298.17	2.56	-35.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=NC4=CC=CC=C4S3)S2)=N1	REAL300012104451	0	37	0.0	-38.23	350.76	4.74	-33.49
CN(C)S(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104452	0	39	0.0	-40.67	342.00	0.42	-40.25
CN1C=NN=C1SC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1[N+](=O)[O-]	REAL300012104453	0	40	0.0	-47.32	367.80	5.99	-41.33
CC1=CC(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Cl	REAL300012104454	0	35	0.0	-38.20	312.32	3.04	-35.16
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1NC(=O)C1=CC=CO1	REAL300012104455	0	42	0.0	-39.01	360.24	3.30	-35.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC23CC4CC(CC(Br)(C4)C2)C3)=N1	REAL300012104456	0	45	0.0	-35.24	347.47	5.58	-29.66
CNS(=O)(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104457	0	36	0.0	-41.13	323.06	-1.41	-42.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC=C2CC2=CC=CC=C2)=N1	REAL300012104458	0	45	0.0	-38.23	376.31	6.49	-31.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(COC3=CC=C(F)C=C3)O2)=N1	REAL300012104459	0	39	0.0	-39.15	345.97	3.90	-35.25
CC1=CC=C(CN2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)C=C1	REAL300012104460	0	45	0.0	-41.51	374.61	4.65	-36.86
CCOC1=CC=C(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)C=C1	REAL300012104461	0	46	0.0	-42.74	374.50	3.55	-39.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OCC3CCCO3)C=C2)=N1	REAL300012104462	0	43	0.0	-36.75	354.73	3.04	-33.71
COC(=O)C1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104463	0	38	0.0	-40.37	332.65	4.24	-36.13
CC1=CC(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1C(C)C	REAL300012104464	0	44	0.0	-37.40	354.51	4.40	-33.00
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=C1C=CC1=C2C=CC=C1	REAL300012104465	0	40	0.0	-38.60	339.03	5.60	-33.00
CC1=CC=C(C2=NC3=CC=CC=C3C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)O1	REAL300012104466	0	43	0.0	-38.16	366.52	5.20	-32.96
CS(=O)(=O)NC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104467	0	36	0.0	-43.09	323.73	-0.96	-44.05
CCOC1=C(Br)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012104468	0	39	0.0	-36.75	351.24	3.34	-33.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(NCC3=CC=CC=C3)C([N+](=O)[O-])=C2)=N1	REAL300012104469	0	45	0.0	-39.11	388.14	5.93	-33.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C(=O)C3=CC=C(Cl)C=C3)CC2)=N1	REAL300012104470	0	45	0.0	-40.69	377.42	4.64	-36.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(CC3=CC=CC=C3)C(=O)C=C2)=N1	REAL300012104471	0	40	0.0	-40.20	347.66	3.32	-36.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3)C(C3=CC=CC=C3)=N2)=N1	REAL300012104472	0	44	0.0	-38.72	376.72	6.44	-32.28
CCCOC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OCC	REAL300012104473	0	49	0.0	-38.82	401.87	5.45	-33.37
CCC1=CC=C(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104474	0	42	0.0	-37.24	353.01	5.17	-32.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300012104475	0	40	0.0	-48.36	353.16	2.24	-46.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=C(Br)S2)=N1	REAL300012104476	0	25	0.0	-33.86	278.59	2.71	-31.15
COC1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012104477	0	42	0.0	-39.76	348.65	3.10	-36.66
NC(=O)C1=CC=C(SCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C([N+](=O)[O-])=C1	REAL300012104478	0	38	0.0	-55.87	345.09	0.85	-55.02
CC(C)CN1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C2C1=O	REAL300012104479	0	45	0.0	-39.64	366.51	3.56	-36.08
CCCCCN1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C2C1=O	REAL300012104480	0	48	0.0	-40.12	395.30	4.62	-35.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CC=C4OCCOC4=C3)C2)=N1	REAL300012104481	0	45	0.0	-46.52	367.61	2.49	-44.03
CCOC1=CC=CC=C1N1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1=O	REAL300012104482	0	46	0.0	-44.32	383.09	3.95	-40.37
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104483	0	46	0.0	-50.39	399.69	-0.54	-50.93
CCC1=CC=C(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)C=C1	REAL300012104484	0	45	0.0	-44.50	366.34	4.80	-39.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2=CC=C3OCCOC3=C2)=N1	REAL300012104485	0	38	0.0	-40.89	331.70	2.69	-38.20
CC1=C(C(C)C)C=C2C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=COC2=C1	REAL300012104486	0	46	0.0	-38.69	373.83	5.93	-32.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=COC3=C2C2=C(C=CC=C2)C=C3)=N1	REAL300012104487	0	40	0.0	-40.04	336.48	5.54	-34.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=COC3=CC4=C(C=C23)CCC4)=N1	REAL300012104488	0	41	0.0	-39.27	341.85	5.39	-33.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(Cl)C=C2Br)=N1	REAL300012104489	0	32	0.0	-40.22	314.03	3.11	-37.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(F)C=C2Br)=N1	REAL300012104490	0	32	0.0	-40.79	303.70	2.67	-38.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(I)C=C2)=N1	REAL300012104491	0	32	0.0	-37.95	304.66	3.03	-34.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2=CC=C(Br)C=C2)=N1	REAL300012104492	0	32	0.0	-37.48	308.49	4.17	-33.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(Br)C=C2F)=N1	REAL300012104493	0	32	0.0	-41.10	304.40	2.63	-38.47
CCCCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OCC	REAL300012104494	0	48	0.0	-36.21	391.83	5.06	-31.15
CCCCOC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OCC	REAL300012104495	0	52	0.0	-38.73	423.36	6.23	-32.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=NC3=CC=CC=C3S2)=N1	REAL300012104496	0	34	0.0	-37.71	312.92	3.32	-34.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(Br)S2)=N1	REAL300012104497	0	29	0.0	-35.66	290.38	3.39	-32.27
COC1=CC=C(C2=C(C)SC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)C=C1	REAL300012104498	0	42	0.0	-35.88	365.04	5.00	-30.88
COC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OC(C)C	REAL300012104499	0	46	0.0	-39.07	376.41	4.34	-34.73
CS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Cl	REAL300012104500	0	34	0.0	-41.41	316.90	0.35	-41.06
CC1=CC=C(S(C)(=O)=O)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104501	0	37	0.0	-44.13	322.53	0.41	-43.72
COC1=CC=C(C2=NC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=C1OC	REAL300012104502	0	45	0.0	-42.12	391.65	3.13	-38.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=CC=C3OCCCOC3=C2)=N1	REAL300012104503	0	45	0.0	-41.98	372.90	3.69	-38.29
CCOC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OC(F)F	REAL300012104504	0	43	0.0	-40.29	368.27	4.00	-36.29
CC(SCC(=O)NC1=CC=C(F)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104505	0	42	0.0	-45.42	371.02	3.36	-42.06
CCCOC1=C(Cl)C=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OCC	REAL300012104506	0	49	0.0	-39.25	421.85	6.12	-33.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(COC3=CC=CC=C3)O2)=N1	REAL300012104507	0	39	0.0	-38.40	339.56	3.84	-34.56
CC1=CC(NC(=O)C(C)SCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NO1	REAL300012104508	0	41	0.0	-45.72	361.33	2.48	-43.24
CC1=CC=C(NC(=O)CSC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104509	0	45	0.0	-44.71	385.99	3.97	-40.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CS(=O)(=O)C3=CC=CC=C3)O2)=N1	REAL300012104510	0	41	0.0	-45.58	370.34	2.01	-43.57
CCN(CC)S(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OC	REAL300012104511	0	49	0.0	-41.58	407.81	2.12	-39.46
C=CCC1=CC=C(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(OC)=C1	REAL300012104512	0	43	0.0	-39.96	361.82	3.82	-36.14
COC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Cl)=C1OC(C)C	REAL300012104513	0	46	0.0	-39.52	391.95	4.91	-34.61
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1S(=O)(=O)NC(C)C	REAL300012104514	0	46	0.0	-41.58	390.50	-0.21	-41.79
CCN(CC)S(=O)(=O)C1=CC=C(C)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104515	0	48	0.0	-41.63	398.58	2.59	-39.04
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1S(=O)(=O)NC(C)(C)C	REAL300012104516	0	49	0.0	-41.58	399.90	0.29	-41.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=O)COC3=CC=CC=C32)=N1	REAL300012104517	0	37	0.0	-41.59	314.50	1.61	-39.98
CC1=NN(CC(C)C)C(Cl)=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104518	0	44	0.0	-36.04	381.89	4.83	-31.21
CC1=C(C)C2=C(N=CN(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=O)S1	REAL300012104519	0	39	0.0	-48.08	342.09	3.85	-44.23
CCCCN1N=C(C)C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1Cl	REAL300012104520	0	44	0.0	-36.45	385.08	4.82	-31.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C(=O)C=CC3=CC=CC=C3)CC2)=N1	REAL300012104521	0	49	0.0	-41.16	395.45	5.69	-35.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=NC3=C(C=CS3)C2=O)=N1	REAL300012104522	0	33	0.0	-48.42	304.23	2.43	-45.99
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1S(=O)(=O)NC1CC1	REAL300012104523	0	44	0.0	-40.92	383.67	0.05	-40.87
CC(C)(C)C1=CC=C(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C(C)(C)C)=C1	REAL300012104524	0	56	0.0	-36.44	424.21	6.96	-29.48
CC(C)(C)C1=CC=CC=C1OCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104525	0	44	0.0	-36.83	348.05	4.62	-32.21
CC1=CC=C(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Br)=C1	REAL300012104526	0	35	0.0	-39.68	318.70	3.28	-36.40
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC2=C1OCCO2	REAL300012104527	0	38	0.0	-37.60	320.11	1.45	-36.15
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(C3SCCCS3)C=C2)=N1	REAL300012104528	0	44	0.0	-38.80	381.55	5.50	-33.30
CS(=O)(=O)N1CCC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C21	REAL300012104529	0	40	0.0	-42.31	344.75	1.15	-41.16
CC1=NN(CC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C(C)=C1[N+](=O)[O-]	REAL300012104530	0	46	0.0	-42.40	402.31	5.87	-36.53
CC1=CC=C(C2=NNC(=S)N2CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104531	0	41	0.0	-44.70	361.51	5.40	-39.30
CC1=CC=C(C2=NC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=C1	REAL300012104532	0	40	0.0	-39.57	354.40	4.59	-34.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(=O)NC2=CC=C(Cl)C=C2)=N1	REAL300012104533	1	32	0.0	-39.75	298.08	1.09	-38.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(OC(F)F)C=C2)=N1	REAL300012104534	0	35	0.0	-40.22	307.67	2.69	-37.53
CC1CC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C2N1S(C)(=O)=O	REAL300012104535	0	43	0.0	-41.71	361.61	1.69	-40.02
CC1=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C(C#N)C(=O)N1	REAL300012104536	0	41	0.0	-52.03	346.36	2.02	-50.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)C3=C(SC=C3)S2)=N1	REAL300012104537	0	28	0.0	-33.90	288.08	3.25	-30.65
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC2=CC=CC(F)=C12	REAL300012104538	0	34	0.0	-35.26	302.65	4.24	-31.02
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Br	REAL300012104539	0	32	0.0	-36.85	296.31	2.38	-34.47
CN1CC(=O)N(CCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1=O	REAL300012104540	0	39	0.0	-43.14	333.81	1.22	-41.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=NC3=C(OC4=CC=CC=C43)C2=O)=N1	REAL300012104541	0	39	0.0	-55.00	341.48	3.84	-51.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C(=O)COC3=CC=CC=C32)=N1	REAL300012104542	0	40	0.0	-37.57	336.00	2.35	-35.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=C(Cl)C=C2Cl)=N1	REAL300012104543	0	28	0.0	-34.47	281.41	4.13	-30.34
CON(C)S(=O)(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104544	0	40	0.0	-41.99	353.61	0.39	-41.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC(Cl)=C3OCCCOC3=C2)=N1	REAL300012104545	0	41	0.0	-39.20	356.87	4.08	-35.12
CN(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300012104546	0	40	0.0	-50.73	346.17	0.23	-50.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=C(Cl)C3=CC=CC=C3S2)=N1	REAL300012104547	0	35	0.0	-35.27	331.37	5.57	-29.70
COCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC2=CC=CC(F)=C21	REAL300012104548	0	38	0.0	-36.89	336.28	3.30	-33.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=C3OCCCOC3=C2)=N1	REAL300012104549	0	37	0.0	-36.87	325.33	2.91	-33.96
CON(C)S(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Cl	REAL300012104550	0	40	0.0	-39.59	363.57	1.15	-38.44
CC1=CC=CC(C2=NNC(=S)N2CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104551	0	41	0.0	-41.65	361.87	5.40	-36.25
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N1C(=S)NN=C1C1=CC=CS1	REAL300012104552	0	38	0.0	-38.01	339.97	3.73	-34.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=CC=CC=C3Cl)=N2)=N1	REAL300012104553	0	37	0.0	-38.60	343.33	4.20	-34.40
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=CC=CC=C2)=N1	REAL300012104554	0	37	0.0	-35.67	328.84	3.77	-31.90
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=CC=CS2)=N1	REAL300012104555	0	34	0.0	-35.50	321.24	2.89	-32.61
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=CC=CC(Cl)=C2)=N1	REAL300012104556	0	37	0.0	-35.47	345.60	4.29	-31.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=CC(Cl)=C3)=N2)=N1	REAL300012104557	0	34	0.0	-39.57	328.18	3.60	-35.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=CC=C3)=N2)=N1	REAL300012104558	0	34	0.0	-38.00	311.46	3.09	-34.91
CS(=O)(=O)CC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104559	0	37	0.0	-44.55	331.52	0.62	-43.93
COC1=CC=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1OC(F)F	REAL300012104560	0	40	0.0	-39.43	347.30	3.19	-36.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2=CC=C(F)C(F)=C2)=N1	REAL300012104561	0	32	0.0	-38.52	299.90	3.67	-34.85
CC1=NC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2N=C1C	REAL300012104562	0	38	0.0	-38.03	321.31	1.96	-36.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(F)C=C2Br)=N1	REAL300012104563	0	28	0.0	-33.99	268.98	2.92	-31.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=CC=CN=C3)=N2)=N1	REAL300012104564	0	36	0.0	-42.69	328.03	2.14	-40.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=CC=CS3)=N2)=N1	REAL300012104565	0	34	0.0	-40.21	324.63	2.93	-37.28
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=CC=C(F)C=C2)=N1	REAL300012104568	0	37	0.0	-35.65	335.26	3.84	-31.81
COCCNS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104569	0	43	0.0	-41.14	377.45	-1.46	-42.60
CC1=CC=C(S(=O)(=O)NC2CC2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104570	0	43	0.0	-41.80	370.84	0.72	-41.08
CC1OC2=CC=CC=C2N(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1=O	REAL300012104571	0	40	0.0	-41.16	334.59	2.39	-38.77
CC(C)N1N=CC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CN=C21	REAL300012104572	0	39	0.0	-38.92	333.58	3.15	-35.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3CCOCC3)N=C2)=N1	REAL300012104573	0	40	0.0	-37.42	328.17	0.65	-36.77
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(NC(=O)C2=CC=CO2)=C1	REAL300012104574	0	39	0.0	-40.01	350.54	2.10	-37.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3)C3=C2CCC3)=N1	REAL300012104575	0	42	0.0	-39.27	353.22	5.26	-34.01
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Cl)=C1OCC(N)=O	REAL300012104576	0	40	0.0	-45.06	363.69	0.24	-44.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(N3CCCC3=O)C=C2)=N1	REAL300012104577	0	43	0.0	-41.95	355.67	4.72	-37.23
CCN1N=CC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C(C3=CC=CC=C3)N=C21	REAL300012104578	0	46	0.0	-37.99	387.05	5.91	-32.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3CCCS3(=O)=O)=C2)=N1	REAL300012104579	0	40	0.0	-46.29	343.96	1.02	-45.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(F)C=C3)C3=C2CCC3)=N1	REAL300012104580	0	42	0.0	-38.74	359.63	5.33	-33.41
CC1=NN(C)C(Cl)=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104581	0	35	0.0	-36.96	320.27	2.42	-34.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(NC(=O)C3CC3)S2)=N1	REAL300012104582	0	36	0.0	-40.04	324.48	2.02	-38.02
CN1N=CC2=C1N=CN(CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2=O	REAL300012104583	0	39	0.0	-50.15	338.43	2.80	-47.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=NC=N3)C=C2)=N1	REAL300012104584	0	37	0.0	-40.49	325.01	5.51	-34.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(C3=CC=C(Cl)C=C3)=C2)=N1	REAL300012104585	0	35	0.0	-38.10	321.91	2.75	-35.35
CC1=NN(C)C2=NC(C3=CC=CC=C3)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C12	REAL300012104586	0	46	0.0	-39.43	382.79	5.38	-34.05
CC1=NOC2=NC(C3=CC=C(C)C=C3)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C12	REAL300012104587	0	45	0.0	-41.80	378.69	3.50	-38.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=CC=N3)C=C2)=N1	REAL300012104588	0	38	0.0	-38.01	330.26	4.07	-33.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC=C(C3=CC=CC=C3)O2)=N1	REAL300012104589	0	40	0.0	-38.89	345.09	2.38	-36.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC=C(C3=CC=CC=C3Cl)O2)=N1	REAL300012104590	0	40	0.0	-39.08	360.38	2.78	-36.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC=C(C3=CC=C(Cl)C=C3)O2)=N1	REAL300012104591	0	40	0.0	-38.66	361.82	2.90	-35.76
CC1=NC(COC2=CC=C(C=CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)=CS1	REAL300012104592	0	45	0.0	-38.33	394.27	4.68	-33.65
CC1=NC(COC2=CC=CC=C2C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CS1	REAL300012104593	0	45	0.0	-37.26	393.20	4.74	-32.52
COC1=CC=C(C2=NOC(CCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=N2)C=C1	REAL300012104594	0	43	0.0	-41.08	370.25	1.85	-39.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C3=CC=CC=C3C(=O)C3=CC=CC=C32)=N1	REAL300012104595	0	43	0.0	-50.18	359.90	5.79	-44.39
CC1=NC(CN2CCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2)=CS1	REAL300012104596	0	45	0.0	-35.96	370.31	1.61	-34.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC=C(C3=CC=C(F)C=C3F)O2)=N1	REAL300012104597	0	40	0.0	-38.92	359.02	2.53	-36.39
CC1=NC(COC2=CC=CC(C=CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=CS1	REAL300012104598	0	45	0.0	-38.05	394.31	4.69	-33.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC=C(C3=CC=C(Cl)C=C3Cl)O2)=N1	REAL300012104599	0	40	0.0	-38.01	377.10	3.28	-34.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC=C(C3=CC=CC=C3F)O2)=N1	REAL300012104600	0	40	0.0	-39.85	352.61	2.47	-37.38
CC(C)(C)C1=CC=C(SCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104601	0	44	0.0	-36.66	363.35	5.87	-30.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)NCC2=CC=C(F)C=C2)=N1	REAL300012104602	0	40	0.0	-39.72	350.46	0.25	-39.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C3=NC=CC=N3)CC2)=N1	REAL300012104603	0	41	0.0	-38.32	333.33	3.16	-35.16
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N1C(=O)OC2=CC=CC=C21	REAL300012104604	0	37	0.0	-40.60	314.84	3.56	-37.04
CN1C(=O)N(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C21	REAL300012104605	0	38	0.0	-40.53	327.17	3.57	-36.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OCC(F)(F)F)N=C2)=N1	REAL300012104606	0	34	0.0	-36.98	315.05	0.53	-36.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(SC(F)(F)F)C=C2)=N1	REAL300012104607	0	36	0.0	-36.81	334.27	5.05	-31.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3)C(C3=CC=CS3)=N2)=N1	REAL300012104608	0	41	0.0	-38.95	366.46	5.61	-33.34
CC1=CN2C=C(COC3=CC=C(C4=NC([C@@H]([NH3+])CC(=O)[O-])=NO4)C=C3)N=C2C=C1	REAL300012104609	0	48	0.0	-40.42	404.95	6.89	-33.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(SC(F)F)C=C2)=N1	REAL300012104610	0	32	0.0	-35.90	296.23	3.68	-32.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC2=CC=CC=C2[N+](=O)[O-])=N1	REAL300012104611	0	38	0.0	-40.17	328.99	2.97	-37.20
COC1=CC=C(C(=O)NCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104612	0	45	0.0	-42.68	375.88	1.64	-41.04
COC1=CC=C(SC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104613	0	39	0.0	-34.73	334.59	3.42	-31.31
CC(SC1=CC=CC=C1Cl)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104614	0	35	0.0	-36.85	318.40	4.49	-32.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C(=O)CCC3=CC=CC=C3)CC2)=N1	REAL300012104616	0	51	0.0	-40.25	408.00	6.00	-34.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3CCCC3)C=C2)=N1	REAL300012104617	0	42	0.0	-34.58	340.45	4.62	-29.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OCC(F)(F)F)C=C2)=N1	REAL300012104618	0	35	0.0	-37.02	317.34	3.12	-33.90
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OCC3=CC=CN=C3)=C2)=N1	REAL300012104619	0	41	0.0	-38.03	352.57	3.91	-34.12
CC(=O)NC1=CC=C(SC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104620	0	42	0.0	-39.68	361.29	3.01	-36.67
CC(SC1=CC(Cl)=CC=C1Cl)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104621	0	35	0.0	-35.52	335.13	5.01	-30.51
CC(C)C1=CC=C(SCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104622	0	41	0.0	-36.75	347.39	5.47	-31.28
CC1=NC2=CC(F)=CC=C2C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104623	0	36	0.0	-36.56	310.27	3.26	-33.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(SCC3=CC=CC=C3)C=C2)=N1	REAL300012104624	0	42	0.0	-35.30	368.00	7.32	-27.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(NC(=O)CC3=CC=CS3)=N2)=N1	REAL300012104625	0	41	0.0	-42.02	379.67	3.00	-39.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Cl)C(I)=C2)=N1	REAL300012104626	0	28	0.0	-35.53	288.62	3.95	-31.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=CC=C2I)=N1	REAL300012104627	0	28	0.0	-33.84	284.72	3.78	-30.06
CC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1I	REAL300012104628	0	31	0.0	-34.35	285.54	3.80	-30.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(F)C=C2I)=N1	REAL300012104629	0	28	0.0	-33.85	274.39	3.34	-30.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(NC(=O)C3=CC=C(F)C=C3)=C2)=N1	REAL300012104630	0	42	0.0	-40.19	364.95	4.49	-35.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(NC(=O)C3=CC=CN=C3)=C2)=N1	REAL300012104631	0	41	0.0	-40.40	353.54	2.65	-37.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(NC(=O)C3CCCCC3)=C2)=N1	REAL300012104632	0	48	0.0	-38.64	384.12	4.67	-33.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC=C2C(F)(F)F)=N1	REAL300012104633	0	35	0.0	-41.86	314.35	3.03	-38.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CC=CC(Br)=C3)C2)=N1	REAL300012104634	0	39	0.0	-40.82	344.39	3.96	-36.86
COC1=CC=C(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)C=C1	REAL300012104635	0	43	0.0	-42.98	352.64	2.63	-40.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CC=C(Cl)C=C3)C2)=N1	REAL300012104636	0	39	0.0	-42.09	339.87	3.86	-38.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CC=CC=C3Br)C2)=N1	REAL300012104637	0	39	0.0	-41.95	351.97	4.55	-37.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(CC3=CC=CC=N3)C2)=N1	REAL300012104638	0	41	0.0	-40.87	348.16	2.16	-38.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CC=C(F)C=C3F)C2)=N1	REAL300012104639	0	39	0.0	-44.31	344.64	3.79	-40.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C3C(=C2)C(C2CC2)=NN3C2=CC=CC=C2)=N1	REAL300012104640	0	47	0.0	-41.18	401.37	7.30	-33.88
CCCC1=NOC2=NC(C3CC3)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C12	REAL300012104641	0	45	0.0	-40.09	369.90	2.51	-37.58
CC(C)C1=NOC2=NC(C3CC3)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C21	REAL300012104642	0	45	0.0	-40.16	371.80	2.41	-37.75
CC(C)(C)CC1=NOC2=NC(C3CC3)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C12	REAL300012104643	0	51	0.0	-39.30	400.28	4.05	-35.25
CC1=NN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=N2)C(C)=C1	REAL300012104644	0	40	0.0	-38.96	341.89	4.38	-34.58
COC1=CC=CC=C1OCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012104645	0	43	0.0	-40.82	368.80	3.73	-37.09
CN(C)S(=O)(=O)C1=CNC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104646	0	37	0.0	-41.20	329.60	-1.99	-43.19
CC(OC1=CC=CC(C(C)(C)C)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104647	0	47	0.0	-35.26	370.97	4.83	-30.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(CC3=CC=CC=C3)=N2)=N1	REAL300012104648	0	40	0.0	-39.02	356.15	4.61	-34.41
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(CC2=CC=CC=C2)=N1	REAL300012104649	0	40	0.0	-35.68	352.47	4.51	-31.17
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1S(C)(=O)=O	REAL300012104650	0	37	0.0	-41.95	318.20	0.54	-41.41
CN1C(=O)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C21	REAL300012104651	0	37	0.0	-40.36	308.67	3.00	-37.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(CC3=CC=CC=C3)=N2)=N1	REAL300012104652	0	37	0.0	-38.63	334.60	3.76	-34.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(CC3=CC=CC=N3)=N2)=N1	REAL300012104653	0	39	0.0	-41.58	350.59	2.81	-38.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=CC(Br)=C3O2)=N1	REAL300012104654	0	31	0.0	-39.21	296.16	3.40	-35.81
CC1=CC=C(C2=NC(C)=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)O1	REAL300012104655	0	37	0.0	-36.41	334.00	2.70	-33.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=NC(C3=CC=C(F)C=C3)=NO2)=N1	REAL300012104656	0	42	0.0	-42.97	368.71	3.38	-39.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)C2=CNC3=CC=CC=C3C2=O)=N1	REAL300012104657	0	41	0.0	-44.93	352.50	0.93	-44.00
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=NC=C(C3=CC=CC=C3)O2)=N1	REAL300012104658	0	43	0.0	-41.74	366.60	3.16	-38.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300012104659	0	37	0.0	-38.96	343.32	5.65	-33.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=CN=C3)C([N+](=O)[O-])=C2)=N1	REAL300012104660	0	37	0.0	-44.21	332.48	5.55	-38.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=O)COC3=CC(Br)=CC=C32)=N1	REAL300012104661	0	37	0.0	-41.77	335.82	2.23	-39.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3F)C=C2Br)=N1	REAL300012104662	0	35	0.0	-41.77	329.79	4.14	-37.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CS(=O)(=O)C2=CC=CC(Br)=C2)=N1	REAL300012104663	0	34	0.0	-45.99	328.97	0.73	-45.26
COC1=CC=C(C2=NC(C)=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)C=C1OC	REAL300012104664	0	45	0.0	-38.83	387.49	2.99	-35.84
CCOC1=CC=CC2=C1OCC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=C2	REAL300012104665	0	41	0.0	-37.27	343.42	3.68	-33.59
N[C@@H](CC(=O)[O-])C1=NOC(C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)=N1	REAL300012104666	1	46	0.0	-76.45	360.06	5.63	-70.82
N[C@@H](CC(=O)[O-])C1=NOC(C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)=N1	REAL300012104666	1	46	0.0	-73.44	369.52	5.71	-67.73
CC1=NN(C2=CC=C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C(C)=C1	REAL300012104667	0	44	0.0	-43.67	367.49	5.31	-38.36
CC1=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300012104668	0	42	0.0	-43.68	355.90	1.70	-41.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C([N+](=O)[O-])C=C3)C=C2)=N1	REAL300012104669	0	37	0.0	-44.20	334.20	4.10	-40.10
CC1=NN(C)C(C)=C1C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1	REAL300012104670	0	41	0.0	-40.08	350.93	1.07	-39.01
CC1=NN(C(C)(C)C)C2=NC(C3CC3)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C12	REAL300012104671	0	52	0.0	-38.01	413.97	5.78	-32.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=C(Br)N2)=N1	REAL300012104672	0	26	0.0	-34.31	270.20	1.10	-33.21
CCOC1=CC=CC=C1C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1	REAL300012104673	0	42	0.0	-37.26	358.05	2.66	-34.60
CC1=NN(C(C)(C)C)C2=NC(C(C)C)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C12	REAL300012104674	0	54	0.0	-37.78	424.55	5.59	-32.19
CC(C)(C)N1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C1CC1	REAL300012104675	0	44	0.0	-36.86	352.91	3.73	-33.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C3NC(=O)NC(=O)C3=C2)=N1	REAL300012104676	0	33	0.0	-39.32	297.13	-2.09	-41.41
CC1=C(S(=O)(=O)N2CCCC2)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012104677	0	43	0.0	-41.27	367.22	0.19	-41.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=NN(C3=CC=CC=C3)N=C2)=N1	REAL300012104678	0	37	0.0	-43.10	322.82	2.86	-40.24
CC1=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300012104679	0	42	0.0	-43.34	356.16	1.72	-41.62
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC(Br)=C1	REAL300012104680	0	28	0.0	-35.64	267.81	1.68	-33.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3NC(=O)C4=CC=CC=C4N3N=C2)=N1	REAL300012104681	0	37	0.0	-38.87	324.06	2.22	-36.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC(C3=NC=CC=N3)=NO2)=N1	REAL300012104682	0	37	0.0	-46.62	331.51	-0.21	-46.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=NC=CC=N3)=N2)=N1	REAL300012104683	0	35	0.0	-45.37	324.70	1.26	-44.11
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=NC=CC=N2)=N1	REAL300012104684	0	35	0.0	-40.41	320.70	1.15	-39.26
CCN1C=C(Br)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104685	0	32	0.0	-35.71	294.52	3.23	-32.48
CCCS(=O)(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104686	0	42	0.0	-42.43	362.92	0.82	-41.61
CC1=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C(C2=CC=CO2)O1	REAL300012104687	0	37	0.0	-44.27	327.20	0.23	-44.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC3=CC(Cl)=CC=C3S2)=N1	REAL300012104688	0	36	0.0	-38.77	338.36	3.83	-34.94
CC(NC(=O)CC1CCCCC1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104689	0	47	0.0	-38.29	368.28	2.52	-35.77
CC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)NC(=O)C1CCCCC1	REAL300012104690	0	47	0.0	-40.91	371.02	2.71	-38.20
CN1C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1C1=CC=C(F)C=C1	REAL300012104691	0	39	0.0	-36.58	329.50	4.94	-31.64
CC1=CC=CC(N2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=N2)=C1	REAL300012104692	0	37	0.0	-41.94	322.42	2.77	-39.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)=N1	REAL300012104693	0	36	0.0	-40.09	339.65	3.76	-36.33
CC1=CC=C(C2=NC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)C(C)=C1	REAL300012104694	0	40	0.0	-35.57	352.90	4.74	-30.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=C2)NC(=O)N3C2CCCC2)=N1	REAL300012104695	0	45	0.0	-40.62	364.50	3.82	-36.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=CC=CC(C(F)(F)F)=C3)=N2)=N1	REAL300012104696	0	40	0.0	-38.93	372.04	4.92	-34.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC(Cl)=CC=C2Cl)=N1	REAL300012104697	0	31	0.0	-36.03	297.61	4.27	-31.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)NCC2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300012104698	0	42	0.0	-44.14	372.27	0.86	-43.28
CC1=NN(C2=CC=CC=C2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104699	0	38	0.0	-37.05	324.62	4.07	-32.98
CCC1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=C(Cl)C=CC=C1Cl	REAL300012104700	0	40	0.0	-39.73	370.49	5.34	-34.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=CC=CC=N3)S2)=N1	REAL300012104701	0	33	0.0	-37.41	307.74	1.64	-35.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=C([N+](=O)[O-])C=C3)=N2)=N1	REAL300012104702	0	36	0.0	-42.22	339.63	3.76	-38.46
COC1=CC=C(C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NO2)C(F)=C1	REAL300012104703	0	38	0.0	-37.40	338.80	2.83	-34.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOC2=CC=CC=C2Cl)=N1	REAL300012104704	0	38	0.0	-40.42	335.91	4.05	-36.37
CS(=O)(=O)CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012104705	0	34	0.0	-47.91	313.31	-1.23	-49.14
CCC1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1Cl	REAL300012104706	0	40	0.0	-40.29	356.66	5.14	-35.15
CCCC1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1Cl	REAL300012104707	0	43	0.0	-39.92	378.16	5.91	-34.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3Cl)C(C3CC3)=N2)=N1	REAL300012104708	0	41	0.0	-40.10	367.99	6.05	-34.05
CC(C)C1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1Cl	REAL300012104709	0	43	0.0	-39.85	377.23	5.57	-34.28
CC1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1C(C)C	REAL300012104710	0	46	0.0	-38.48	378.46	6.06	-32.42
CS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Br	REAL300012104711	0	34	0.0	-41.04	319.90	0.47	-40.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSCC(=O)C2=CC=CC=C2)=N1	REAL300012104712	0	37	0.0	-45.41	333.16	4.31	-41.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)C2=NOC(C3=CC=CC=C3)=C2)=N1	REAL300012104713	0	41	0.0	-38.74	362.11	1.84	-36.90
COCCOCC(=O)NC1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012104714	0	52	0.0	-45.20	419.37	1.32	-43.88
CC1=CC=C(CCC(=O)NCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104715	0	44	0.0	-38.59	370.91	2.98	-35.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=NC=CC=N3)S2)=N1	REAL300012104716	0	32	0.0	-40.50	303.21	0.69	-39.81
CC(C)CN1N=CC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CN=C21	REAL300012104717	0	42	0.0	-38.59	352.60	4.00	-34.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C3C(=C2)C=NN3C2CCCC2)=N1	REAL300012104718	0	43	0.0	-38.62	356.60	4.51	-34.11
CCC(C)C(=O)N1CCCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1	REAL300012104719	0	47	0.0	-39.54	362.83	3.28	-36.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC(OC3=CC=CC=C3)=C2)=N1	REAL300012104720	0	38	0.0	-37.07	333.48	2.76	-34.31
CC(C)COC(=O)N1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012104721	0	48	0.0	-39.50	382.28	3.64	-35.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3N=CC=C3C(F)(F)F)=C2)=N1	REAL300012104722	0	38	0.0	-37.08	338.25	4.23	-32.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)=N1	REAL300012104723	0	39	0.0	-35.41	353.55	5.85	-29.56
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N1C(=O)NC2(CCCC2)C1=O	REAL300012104724	0	43	0.0	-37.37	346.49	1.24	-36.13
CC(C)OC1=CC=C(C2=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=C1	REAL300012104725	0	44	0.0	-38.77	380.66	3.94	-34.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(OC3=CC=CN=C3)C(F)=C2)=N1	REAL300012104726	0	42	0.0	-40.42	369.36	4.82	-35.60
CCC(C)N1N=CC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C(C)N=C21	REAL300012104727	0	45	0.0	-37.45	371.07	4.21	-33.24
CCCC1=CC=C(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104728	0	45	0.0	-37.14	374.51	5.95	-31.19
CC1=CC=C(C)C(N2N=NN=C2SCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104729	0	43	0.0	-39.46	378.80	4.53	-34.93
CC1=CC=C(Cl)C(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104730	0	35	0.0	-39.43	314.32	3.16	-36.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=CC=C(Cl)S2)=N1	REAL300012104731	0	33	0.0	-36.28	318.01	3.44	-32.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3SCC(=O)NC3=C2)=N1	REAL300012104732	0	34	0.0	-38.21	306.45	1.46	-36.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=O)N4CCCCCC4=NC3=C2)=N1	REAL300012104733	0	46	0.0	-39.93	369.23	4.80	-35.13
CC1=NN(CC2=CC=CC=C2)C2=C1C=C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)S2	REAL300012104734	0	44	0.0	-37.67	390.35	5.96	-31.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=O)N(CC4=CC=NC=C4)C(=O)C3=C2)=N1	REAL300012104735	0	44	0.0	-40.84	388.93	3.94	-36.90
CC(=O)NC1=CC(NC(C)=O)=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104736	0	42	0.0	-46.70	359.02	0.22	-46.48
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3CCCC3=O)C=C2)=N1	REAL300012104737	0	39	0.0	-39.61	324.16	3.55	-36.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(OC(F)F)C=C2)=N1	REAL300012104738	0	36	0.0	-38.33	317.20	3.17	-35.16
CC(C)(C)C1=CC=C(C(=O)NCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104739	0	50	0.0	-44.36	401.09	3.89	-40.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC3=CC=CC=C32)=N1	REAL300012104740	0	38	0.0	-39.32	321.92	4.27	-35.05
CCOC1=CC=C(S(=O)(=O)NCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104741	0	46	0.0	-44.28	395.99	-0.30	-44.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(OCC3=CC=CC=C3)C=C2)=N1	REAL300012104742	0	46	0.0	-37.68	389.21	6.88	-30.80
CC1=CC=C(C)C(S(=O)(=O)NCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104743	0	45	0.0	-44.63	380.78	1.05	-43.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300012104744	0	39	0.0	-44.87	361.89	-0.29	-45.16
CC(NS(=O)(=O)C1=CC=CC=C1F)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104745	0	39	0.0	-40.60	334.90	-1.09	-41.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C3=CC=CC=C3N=C2C(F)(F)F)=N1	REAL300012104746	0	37	0.0	-40.93	329.98	3.85	-37.08
CCOC1=CC=C(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OCC	REAL300012104747	0	50	0.0	-41.34	412.41	4.79	-36.55
CCOC1=CC=C2OC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C(C)C2=C1	REAL300012104748	0	41	0.0	-37.18	344.45	3.55	-33.63
CCC1=CC=C2C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=COC2=C1	REAL300012104749	0	40	0.0	-38.92	339.18	4.92	-34.00
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=O)N4CCCC4=NC3=C2)=N1	REAL300012104750	0	40	0.0	-41.56	338.34	3.71	-37.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=C(Cl)C=CC=C2Cl)=N1	REAL300012104751	0	32	0.0	-36.73	312.88	3.19	-33.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=CC(Br)=C2)=N1	REAL300012104752	0	34	0.0	-36.52	311.20	4.52	-32.00
CC1CCN(S(=O)(=O)C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)CC1	REAL300012104753	0	49	0.0	-40.48	403.89	3.03	-37.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(CCN3CCOCC3)C2)=N1	REAL300012104754	0	48	0.0	-43.58	381.66	-0.54	-44.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=CN=C3)C=C2)=N1	REAL300012104755	0	38	0.0	-40.60	329.75	5.69	-34.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCOC2=CC(Cl)=CC=C2Cl)=N1	REAL300012104756	0	35	0.0	-36.36	331.13	3.80	-32.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=CC=C3)N=C2)=N1	REAL300012104757	0	38	0.0	-37.58	333.26	2.77	-34.81
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=C(Br)C=N3)C=C2)=N1	REAL300012104758	0	35	0.0	-37.15	326.48	4.25	-32.90
CCC1=CC(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Cl	REAL300012104759	0	38	0.0	-38.14	332.37	3.73	-34.41
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1CC1=CC=CC=C1	REAL300012104760	0	41	0.0	-38.40	347.32	4.38	-34.02
CC(OC1=CC=C2CCCC2=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104761	0	42	0.0	-36.09	340.35	4.41	-31.68
CC1=CN2C(=O)C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CN=C2C=C1	REAL300012104762	0	36	0.0	-41.14	311.05	3.81	-37.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(NC3=NC=CC=N3)=C2)=N1	REAL300012104763	0	38	0.0	-38.06	328.35	4.96	-33.10
CCOC(=O)N1CCCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1	REAL300012104764	0	42	0.0	-38.49	340.75	2.18	-36.31
CC(C)CC1=CC=C(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104765	0	48	0.0	-37.04	391.30	6.41	-30.63
CC1=CC(C)=C(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)C(C)=C1	REAL300012104766	0	48	0.0	-44.08	386.18	6.20	-37.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3)C(C3=CC=CC=C3)=C2)=N1	REAL300012104767	0	45	0.0	-38.44	380.06	6.47	-31.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)NC2=CC=C(Br)C=C2)=N1	REAL300012104768	0	40	0.0	-45.50	360.76	1.47	-44.03
CN1C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Br)=C1Br	REAL300012104769	0	29	0.0	-35.01	292.13	2.74	-32.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(NC(=O)C3=CNC(=O)C=C3)C=C2)=N1	REAL300012104770	0	42	0.0	-44.57	363.08	1.37	-43.20
CC1=CC2=NC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C(=O)N2C=C1	REAL300012104771	0	36	0.0	-40.65	311.09	3.82	-36.83
CC1=CC=CC(C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)NC(N)=O)=C1	REAL300012104772	0	43	0.0	-45.49	362.75	0.37	-45.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)CCC(=O)C2=CC=CS2)=N1	REAL300012104773	0	41	0.0	-39.40	366.02	4.32	-35.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3CCOC3=O)=C2)=N1	REAL300012104774	0	37	0.0	-43.82	315.15	2.49	-41.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=C(Cl)C=C3)N=N2)=N1	REAL300012104775	0	34	0.0	-41.97	317.69	2.62	-39.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC=C3C(F)(F)F)N=N2)=N1	REAL300012104776	0	37	0.0	-47.93	330.40	3.21	-44.72
CC1=NN(C)C2=NC(C)=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C12	REAL300012104777	0	39	0.0	-38.31	328.43	2.57	-35.74
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC2=NC=CC(C)=C12	REAL300012104778	0	36	0.0	-38.96	307.69	2.82	-36.14
COC1=CC=C2OCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=C1	REAL300012104779	0	40	0.0	-37.16	329.55	2.16	-35.00
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=C(Br)C=C3)N=N2)=N1	REAL300012104780	0	34	0.0	-41.89	322.25	2.72	-39.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3CCCCCN3C(C3=CC=C(F)C=C3)=N2)=N1	REAL300012104781	0	48	0.0	-40.04	381.03	6.11	-33.93
N[C@@H](CC(=O)[O-])C1=NOC(C2CCC[N@H+](CC3=CC=CN=C3)C2)=N1	REAL300012104782	1	45	0.0	-80.98	351.06	3.82	-77.16
N[C@@H](CC(=O)[O-])C1=NOC(C2CCC[N@@H+](CC3=CC=CN=C3)C2)=N1	REAL300012104782	1	45	0.0	-76.34	351.00	3.73	-72.61
COC1=CC=C(N2N=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2C)C=C1	REAL300012104783	0	41	0.0	-42.05	345.96	1.72	-40.33
CN1C=C(S(=O)(=O)NCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012104784	0	36	0.0	-44.65	327.70	-3.58	-48.23
CC1=CC=C(C2=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)O1	REAL300012104785	0	34	0.0	-41.57	315.91	1.93	-39.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=CS2)=N1	REAL300012104786	0	25	0.0	-33.84	258.35	2.04	-31.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC3=CC=CC=C3NC2=O)=N1	REAL300012104787	0	37	0.0	-43.63	318.76	2.18	-41.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(N3C=CC=N3)C=C2)=N1	REAL300012104788	0	38	0.0	-41.67	326.77	4.32	-37.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC([N+](=O)[O-])=CC=C3O2)=N1	REAL300012104789	0	33	0.0	-39.89	302.97	3.45	-36.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3CCOCC3)C=C2)=N1	REAL300012104790	0	43	0.0	-36.23	348.30	2.80	-33.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(NC(=O)OCC(F)(F)F)C=C2)=N1	REAL300012104791	0	39	0.0	-37.68	355.04	2.02	-35.66
COC1=CC=C(C2=NC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)C=C1	REAL300012104792	0	38	0.0	-36.52	340.82	2.63	-33.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(CC3=CC=CS3)N=N2)=N1	REAL300012104793	0	34	0.0	-42.67	315.47	1.78	-40.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(F)C(Br)=C2)=N1	REAL300012104794	0	28	0.0	-36.23	273.47	3.07	-33.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(CC3=CC=CC=N3)N=N2)=N1	REAL300012104795	0	36	0.0	-44.75	319.91	0.87	-43.88
NC(=O)CS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104796	0	38	0.0	-52.46	344.60	-3.06	-55.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3CC3)=NC3=CC=C(F)C=C32)=N1	REAL300012104797	0	40	0.0	-35.25	338.34	4.69	-30.56
CCC1=CC=C(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)O2)C=C1	REAL300012104798	0	41	0.0	-37.06	350.09	5.59	-31.47
CC(C)(C)C1=CC=C(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)O2)C=C1	REAL300012104799	0	47	0.0	-36.79	383.31	6.47	-30.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC(Cl)=CC(Cl)=C2)=N1	REAL300012104800	0	32	0.0	-37.56	310.34	2.96	-34.60
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OC)=C1OC(F)F	REAL300012104801	0	40	0.0	-39.36	348.02	1.97	-37.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C3=CSC=N3)=C2)=N1	REAL300012104802	0	34	0.0	-36.75	309.05	3.13	-33.62
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2CCCC2)=N1	REAL300012104803	0	40	0.0	-34.32	336.43	3.46	-30.86
CN(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1[N+](=O)[O-]	REAL300012104804	0	38	0.0	-46.00	325.26	3.65	-42.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC(Br)=CS2)=N1	REAL300012104805	0	29	0.0	-34.84	290.17	3.29	-31.55
CC(C)=CC(=O)NCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104806	0	45	0.0	-38.69	378.44	3.56	-35.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC3=CC(Br)=CC=C3S2)=N1	REAL300012104807	0	36	0.0	-38.67	342.92	3.93	-34.74
CC1=NC(C2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=CS1	REAL300012104808	0	37	0.0	-36.79	330.94	3.84	-32.95
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N1N=NC(C2=CC=CC=C2)=N1	REAL300012104809	0	39	0.0	-37.77	340.45	2.61	-35.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC23CCCC2=CC=CC=C23)=N1	REAL300012104810	0	42	0.0	-35.24	329.13	5.77	-29.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=C(Cl)C=C3Cl)C=C2)=N1	REAL300012104811	0	39	0.0	-36.26	367.95	6.32	-29.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=N1	REAL300012104812	0	39	0.0	-43.57	331.40	3.31	-40.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=C(Cl)C=C3)C(F)=C2)=N1	REAL300012104813	0	39	0.0	-37.88	359.47	5.90	-31.98
CC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C(=O)C1=CC=CC(F)=C1	REAL300012104814	0	39	0.0	-39.10	333.58	4.43	-34.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(CC(=O)NC3CCCCC3)N=C2)=N1	REAL300012104815	0	48	0.0	-46.75	392.66	2.31	-44.44
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(Cl)C(Cl)=C1	REAL300012104816	0	34	0.0	-35.84	316.79	4.47	-31.37
CC(C)OC1=CC(Br)=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104817	0	38	0.0	-34.02	337.03	3.88	-30.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=CC=C3Cl)N=C2)=N1	REAL300012104818	0	38	0.0	-38.20	349.58	3.22	-34.98
CSCC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1F	REAL300012104819	0	35	0.0	-35.46	317.89	4.32	-31.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=CC=C(C(F)(F)F)C=C3)S2)=N1	REAL300012104820	0	37	0.0	-36.32	350.08	4.33	-31.99
CC1=CC=C(OCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C	REAL300012104821	0	44	0.0	-38.85	358.27	4.70	-34.15
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Br	REAL300012104822	0	31	0.0	-33.89	285.93	3.61	-30.28
CC1=CC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C(C3CC3)N=C2C=C1	REAL300012104823	0	43	0.0	-36.03	353.30	5.27	-30.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC(Cl)=C3)C=N2)=N1	REAL300012104824	0	35	0.0	-40.18	320.20	5.17	-35.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(OC3=CC=CC=C3)=CC=N2)=N1	REAL300012104825	0	38	0.0	-37.08	332.50	3.43	-33.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC=C3F)CCCC2)=N1	REAL300012104826	0	41	0.0	-33.45	323.71	5.34	-28.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(F)=C3)CCCC2)=N1	REAL300012104827	0	41	0.0	-34.37	329.77	5.52	-28.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(Cl)C=C3)CCCC2)=N1	REAL300012104828	0	41	0.0	-35.29	340.07	5.98	-29.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C23CC4CC(CC(Br)(C4)C2)C3)=N1	REAL300012104829	0	42	0.0	-33.52	331.12	4.77	-28.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C23CC4CC(CC(Cl)(C4)C2)C3)=N1	REAL300012104830	0	42	0.0	-33.63	326.62	4.67	-28.96
CC1=CC=C(C23CC4CC(CC(C5=NC([C@@H]([NH3+])CC(=O)[O-])=NO5)(C4)C2)C3)C=C1	REAL300012104831	0	55	0.0	-33.79	404.43	8.03	-25.76
CC1=CC=C(C23CC4CC(CC(C5=NC([C@@H]([NH3+])CC(=O)[O-])=NO5)(C4)C2)C3)C=C1C	REAL300012104832	0	58	0.0	-33.91	421.44	8.57	-25.34
CC12CC3CC(C)(C1)CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)(C3)C2	REAL300012104833	0	48	0.0	-32.36	350.98	5.19	-27.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(COC3=CC=C(Cl)C=C3)C=C2)=N1	REAL300012104834	0	42	0.0	-36.19	374.48	6.22	-29.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC(Br)=C2)=N1	REAL300012104835	0	32	0.0	-35.75	299.32	4.23	-31.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=NC3=CC=CC=C3S2)=N1	REAL300012104836	0	39	0.0	-40.71	343.07	4.11	-36.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCNC(=O)C2=CC=C(Cl)C=C2)=N1	REAL300012104837	0	41	0.0	-41.25	363.20	2.86	-38.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C(=O)C3CCCCC3C2=O)=N1	REAL300012104838	0	44	0.0	-38.42	357.54	2.78	-35.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC3=CC=CC=C3N2C2=CC=CC=C2)=N1	REAL300012104839	0	47	0.0	-38.71	395.82	7.57	-31.14
CN1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C2C1=O	REAL300012104840	0	36	0.0	-40.78	309.70	1.38	-39.40
CN(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300012104841	0	39	0.0	-42.62	360.08	1.09	-41.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300012104842	0	38	0.0	-39.90	334.76	2.70	-37.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCN2C(=O)C3=CC=CC4=CC=CC(=C43)C2=O)=N1	REAL300012104843	0	47	0.0	-43.29	394.27	5.58	-37.71
CC1=NN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C(C)=C1	REAL300012104844	0	41	0.0	-38.59	345.62	4.60	-33.99
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1S(=O)(=O)N1CCCC1	REAL300012104845	0	47	0.0	-41.89	393.68	1.39	-40.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(CC3=CC=CC=C3)C(=O)C3=CC=CC=C32)=N1	REAL300012104846	0	46	0.0	-40.62	389.45	5.30	-35.32
CCOC1=CC=C(OCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104847	0	45	0.0	-39.85	371.23	3.70	-36.15
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C(=O)C3=CC=C(Cl)C=C3)C2)=N1	REAL300012104848	0	45	0.0	-40.00	378.63	4.67	-35.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCSC2=CC=C(Cl)C=C2)=N1	REAL300012104849	0	38	0.0	-38.56	346.92	5.64	-32.92
CCC(C)C1=CC=CC=C1N1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1=O	REAL300012104850	0	51	0.0	-43.27	408.27	6.71	-36.56
CCCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OCC	REAL300012104851	0	45	0.0	-36.20	370.33	4.28	-31.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)C2=CC=C(Br)C=C2)=N1	REAL300012104852	0	38	0.0	-44.51	346.27	2.19	-42.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNS(=O)(=O)C2=CC=CC=C2)=N1	REAL300012104853	0	39	0.0	-43.96	344.65	-0.53	-44.49
COC1=CC=C(C=CC(=O)NC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104854	0	46	0.0	-40.91	387.77	2.07	-38.84
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104855	0	45	0.0	-39.97	379.88	5.90	-34.07
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104856	0	45	0.0	-37.20	400.92	6.27	-30.93
CCCOC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012104857	0	46	0.0	-38.96	380.01	4.53	-34.43
COC1=CC=CC=C1N1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1=O	REAL300012104858	0	43	0.0	-44.63	361.24	3.02	-41.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(CN3C(=O)C4=CC=CC=C4C3=O)=C2)=N1	REAL300012104859	0	45	0.0	-39.16	394.13	5.69	-33.47
COCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=CC=CC=C21	REAL300012104860	0	38	0.0	-37.48	326.71	2.40	-35.08
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104861	0	42	0.0	-38.45	375.37	5.74	-32.71
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC2=C1C(=O)N1CCCC1=N2	REAL300012104862	0	40	0.0	-41.16	343.00	3.34	-37.82
CC1=NC2=CC=CC=C2C(C)=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104863	0	42	0.0	-40.88	338.77	4.30	-36.58
CCN(CC)S(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1C	REAL300012104864	0	48	0.0	-40.97	399.43	3.01	-37.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(S(=O)(=O)C3=CC=CC=C3F)CC2)=N1	REAL300012104865	0	46	0.0	-41.91	385.39	2.17	-39.74
CC(SC1=CC=C(Cl)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104866	0	35	0.0	-33.97	321.83	4.64	-29.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=O)NC3(CCCC3)C2=O)=N1	REAL300012104867	0	40	0.0	-39.18	333.33	-0.07	-39.25
CC1=CC=CC(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)=C1C	REAL300012104868	0	45	0.0	-41.97	367.66	5.14	-36.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2=NC3=CC=CC=C3S2)=N1	REAL300012104869	0	34	0.0	-37.31	322.39	3.23	-34.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C(=O)NC3=CC=CC=C3)CC2)=N1	REAL300012104870	0	47	0.0	-43.29	375.83	4.04	-39.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(NS(=O)(=O)C3=CC=CC=C3)C=C2)=N1	REAL300012104871	0	43	0.0	-41.46	377.61	2.35	-39.11
CC1CCCCC12NC(=O)N(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2=O	REAL300012104872	0	46	0.0	-38.68	360.97	1.18	-37.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(NC(=O)C3CC3)C=C2)=N1	REAL300012104873	0	39	0.0	-38.38	333.60	2.89	-35.49
CN1C(=O)C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2C1=O	REAL300012104874	0	35	0.0	-39.43	312.11	1.69	-37.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=O)N(CC4CCCO4)C(=O)C3=C2)=N1	REAL300012104875	0	46	0.0	-40.82	390.82	3.00	-37.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(Cl)C(C(F)(F)F)=C2)=N1	REAL300012104876	0	35	0.0	-38.66	329.84	5.02	-33.64
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104877	0	42	0.0	-41.91	357.43	0.87	-41.04
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1S(=O)(=O)N(C)C	REAL300012104878	0	43	0.0	-41.79	364.25	0.30	-41.49
C=CCNS(=O)(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104879	0	40	0.0	-40.69	356.91	-0.01	-40.70
CNS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OC	REAL300012104880	0	40	0.0	-42.18	343.07	-1.54	-43.72
CNS(=O)(=O)C1=CC=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104881	0	36	0.0	-40.03	335.43	-0.26	-40.29
CN(C)S(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Cl	REAL300012104882	0	39	0.0	-39.13	349.10	0.73	-38.40
CC(C)(C)NS(=O)(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104883	0	45	0.0	-40.29	369.21	0.39	-39.90
CCNS(=O)(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104884	0	39	0.0	-40.72	344.10	-0.55	-41.27
CC(C)NS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104885	0	42	0.0	-40.61	361.29	0.01	-40.60
CC(C)(C)NS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104886	0	45	0.0	-40.49	369.19	0.39	-40.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCS(=O)(=O)C2=CC=C3OCCOC3=C2)=N1	REAL300012104887	0	43	0.0	-45.98	373.66	0.07	-45.91
CCOC(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC([N+](=O)[O-])=C1	REAL300012104888	0	39	0.0	-38.80	351.27	4.67	-34.13
COC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1S(=O)(=O)N(C)C	REAL300012104889	0	47	0.0	-43.87	395.76	1.48	-42.39
CNS(=O)(=O)C1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OC	REAL300012104890	0	44	0.0	-44.29	374.59	-0.37	-44.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=CC=C3CCCCC3=C2)=N1	REAL300012104891	0	46	0.0	-37.45	372.85	6.22	-31.23
CN1C=NC2=C1C(=O)N(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C(=O)N2C	REAL300012104892	0	40	0.0	-42.70	341.59	3.12	-39.58
CCNS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104893	0	39	0.0	-40.84	344.08	-0.55	-41.39
CCC(C)NS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104894	0	45	0.0	-40.54	383.91	0.92	-39.62
C=CCNS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104895	0	40	0.0	-40.68	356.89	-0.01	-40.69
CSC1=CC=C(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104896	0	40	0.0	-38.58	349.02	4.71	-33.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C3=NC4=CC=CC=C4O3)CC2)=N1	REAL300012104897	0	45	0.0	-40.42	366.87	1.23	-39.19
CC1CCCCN1S(=O)(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104898	0	49	0.0	-39.79	390.68	2.98	-36.81
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=C(Cl)C=C3)S2)=N1	REAL300012104899	0	35	0.0	-35.90	331.67	5.62	-30.28
COC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Cl)=C1OCC(C)C	REAL300012104900	0	49	0.0	-39.20	420.10	5.87	-33.33
CCCOC1=C(Cl)C=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012104901	0	46	0.0	-39.51	400.00	5.20	-34.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=C4OCCOC4=C3)S2)=N1	REAL300012104902	0	41	0.0	-39.12	359.42	4.24	-34.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(F)C(Cl)=C2)=N1	REAL300012104903	0	32	0.0	-37.93	300.59	4.16	-33.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(Br)C(Cl)=C2)=N1	REAL300012104904	0	32	0.0	-37.22	314.10	4.68	-32.54
CC1CCCCN1S(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104905	0	49	0.0	-40.03	390.66	2.99	-37.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(Br)C=C2Cl)=N1	REAL300012104906	0	32	0.0	-40.21	314.20	3.11	-37.10
CC(OC1=CC=CC(Cl)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104907	0	35	0.0	-35.52	311.51	3.02	-32.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC=C2Br)=N1	REAL300012104908	0	32	0.0	-35.19	296.30	4.11	-31.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=C(Cl)C=CC=C2Cl)=N1	REAL300012104909	0	32	0.0	-34.57	308.85	4.50	-30.07
COC1=CC(OC)=C(OC)C=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104910	0	44	0.0	-38.75	364.96	2.19	-36.56
CCNS(=O)(=O)C1=CC=C(C)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104911	0	42	0.0	-41.93	359.48	-0.10	-42.03
CC1=NN(C2=CC=CC=C2)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104912	0	37	0.0	-38.65	321.31	2.49	-36.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(C3=CC=CC=C3)O2)=N1	REAL300012104913	0	41	0.0	-37.47	350.16	5.77	-31.70
COC1=CC=C(C)C=C1N1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1=O	REAL300012104914	0	46	0.0	-42.85	382.29	3.68	-39.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CC=CC=C3Cl)C2)=N1	REAL300012104915	0	39	0.0	-42.25	347.61	4.37	-37.88
CC(C)N(C)S(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104916	0	45	0.0	-40.37	380.41	1.80	-38.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC(C3=CC=CC=C3)=NO2)=N1	REAL300012104917	0	39	0.0	-40.72	340.80	2.53	-38.19
CCN1C2=C(C=CC=C2)C2=C1C=CC(C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=C2	REAL300012104918	0	48	0.0	-38.40	399.40	8.32	-30.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2CCS(=O)(=O)C2)=N1	REAL300012104919	0	35	0.0	-47.92	316.58	-0.58	-48.50
CNS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104920	0	36	0.0	-41.20	323.04	-1.40	-42.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(Cl)C3=CC=CC=C23)=N1	REAL300012104921	0	38	0.0	-39.57	336.28	4.68	-34.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCNC2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300012104922	0	41	0.0	-44.84	353.22	3.49	-41.35
CC1=NN(C2=CC=CC=C2)C(C)=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104923	0	44	0.0	-42.35	363.75	5.17	-37.18
CC1=CC=NN1C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104924	0	38	0.0	-38.22	323.73	4.02	-34.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3CCCC3=O)=C2)=N1	REAL300012104925	0	39	0.0	-40.66	323.78	3.55	-37.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCN2C(=O)OC3=CC([N+](=O)[O-])=CC=C32)=N1	REAL300012104926	0	42	0.0	-48.19	372.66	4.85	-43.34
CCS(=O)(=O)N1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012104927	0	42	0.0	-42.96	347.31	-0.08	-43.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C3=CC=CC=C3OCCC2=O)=N1	REAL300012104928	0	40	0.0	-41.90	333.88	2.31	-39.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=CS3)=N2)=N1	REAL300012104929	0	31	0.0	-38.40	303.51	2.14	-36.26
CC1=CC=C(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C	REAL300012104930	0	42	0.0	-37.57	348.49	4.92	-32.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300012104931	0	46	0.0	-38.89	384.11	7.13	-31.76
CON(C)S(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104932	0	40	0.0	-41.92	353.58	0.40	-41.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=CSC=C3)=N2)=N1	REAL300012104933	0	34	0.0	-39.20	324.04	2.84	-36.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=CC=C2Br)=N1	REAL300012104934	0	28	0.0	-34.46	268.99	2.92	-31.54
CCN(CC)S(=O)(=O)C1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104935	0	51	0.0	-42.26	426.65	3.62	-38.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])=N1	REAL300012104936	0	41	0.0	-41.19	367.67	3.97	-37.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C(=O)OC3=CC(Cl)=CC=C32)=N1	REAL300012104937	0	37	0.0	-43.50	339.73	3.92	-39.58
COC1=CC=C(C2=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=C1	REAL300012104938	0	38	0.0	-38.38	340.89	2.39	-35.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC(C3=CC=C(Cl)C=C3)=NO2)=N1	REAL300012104939	0	39	0.0	-39.65	357.53	3.05	-36.60
CC1=CC(=O)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1F	REAL300012104940	0	40	0.0	-43.32	346.91	4.53	-38.79
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OCC(N)=O	REAL300012104941	0	40	0.0	-46.53	343.71	-0.41	-46.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(S(=O)(=O)C3=CC=C(F)C=C3)C2)=N1	REAL300012104942	0	46	0.0	-40.84	389.86	2.27	-38.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(S2)C2=C(C=CC=C2)S3)=N1	REAL300012104943	0	34	0.0	-35.55	321.70	5.29	-30.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC(C3=CSC=C3)=NO2)=N1	REAL300012104944	0	36	0.0	-40.31	331.01	1.42	-38.89
CC(=O)N1CCC2=CC=CC=C2C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104945	0	45	0.0	-40.60	363.17	4.53	-36.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=C(C3=CC=CS3)OC2=O)=N1	REAL300012104946	0	34	0.0	-39.94	322.48	-0.27	-40.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=O)COC3=CC=C([N+](=O)[O-])C=C32)=N1	REAL300012104947	0	39	0.0	-41.71	341.14	2.57	-39.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C(=O)NC3=CC=CC=C3)C2)=N1	REAL300012104948	0	47	0.0	-43.49	374.57	4.06	-39.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CN(C3=CC=CC=C3)N=C2)=N1	REAL300012104949	0	39	0.0	-40.33	338.30	4.86	-35.47
CCC1=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C2O1	REAL300012104950	0	41	0.0	-37.28	352.22	5.70	-31.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC(C3=CC=CS3)=NO2)=N1	REAL300012104951	0	36	0.0	-40.79	331.71	1.54	-39.25
CC1=NN(C)C2=NC(C3=CC=CS3)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C12	REAL300012104952	0	43	0.0	-38.28	375.60	4.44	-33.84
CC1=NN(C)C2=NC(C)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C12	REAL300012104953	0	39	0.0	-39.24	327.64	2.35	-36.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=O)COC3=CC=C(Cl)C=C32)=N1	REAL300012104954	0	37	0.0	-37.48	329.67	2.42	-35.06
CS(=O)(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104955	0	36	0.0	-42.51	323.44	-0.96	-43.47
CC(C)C1=CC=C(C2=NOC(CCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=N2)C=C1	REAL300012104956	0	48	0.0	-39.97	400.97	4.45	-35.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(CCCC3=O)NC2=O)=N1	REAL300012104957	0	37	0.0	-46.33	314.99	1.23	-45.10
CC1=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C(C2=CC=CC=C2)O1	REAL300012104958	0	40	0.0	-41.59	346.22	2.32	-39.27
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300012104959	0	41	0.0	-40.51	362.06	4.93	-35.58
CC(=O)NC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104960	0	39	0.0	-41.26	334.34	2.46	-38.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(SCC3=CN4C=CC=CC4=N3)C=C2)=N1	REAL300012104961	0	45	0.0	-41.98	394.98	7.79	-34.19
CC1=NC(CSC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)=CS1	REAL300012104962	0	41	0.0	-36.90	374.59	5.00	-31.90
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=CC([N+](=O)[O-])=C1	REAL300012104963	0	39	0.0	-50.22	346.30	3.12	-47.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCNC(=O)NC2CCCCC2)=N1	REAL300012104964	0	49	0.0	-41.20	389.39	1.43	-39.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC(N3CCOCC3)=NC=C2Cl)=N1	REAL300012104965	0	39	0.0	-37.12	337.89	1.05	-36.07
CC1=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C(C2=CC=CS2)O1	REAL300012104966	0	37	0.0	-39.47	337.22	1.25	-38.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C3C(=C2)C(=O)NC(=O)N3C2CC2)=N1	REAL300012104967	0	40	0.0	-39.19	345.45	1.63	-37.56
COC1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Cl	REAL300012104968	0	38	0.0	-38.96	335.44	3.75	-35.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300012104969	0	34	0.0	-37.30	321.82	4.87	-32.43
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1=CC=C(F)C=C1F	REAL300012104970	0	38	0.0	-40.53	336.22	4.13	-36.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=CC=C(C(F)(F)F)C=C3)=N2)=N1	REAL300012104971	0	40	0.0	-40.10	371.70	4.91	-35.19
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012104972	0	40	0.0	-36.08	367.55	4.78	-31.30
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1=CC=C(Cl)C=C1	REAL300012104973	0	38	0.0	-37.46	339.73	4.44	-33.02
CC1=CC=CC(COC2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=C1	REAL300012104974	0	45	0.0	-35.89	379.14	6.37	-29.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(CN3C(=O)CNC3=O)=C2)=N1	REAL300012104975	0	40	0.0	-40.13	349.29	1.03	-39.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C3NC(=O)CCC3=C2)=N1	REAL300012104976	0	40	0.0	-42.98	336.72	1.13	-41.85
CC1=CC=C(OC2=CC=C(OCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C=C1	REAL300012104977	0	46	0.0	-39.37	387.00	5.46	-33.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC(N3CCCC3)=NC=C2Cl)=N1	REAL300012104978	0	38	0.0	-36.18	328.77	2.54	-33.64
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1=NNC(=O)C=C1	REAL300012104979	0	37	0.0	-39.84	322.24	0.65	-39.19
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1=CC=CC=C1F	REAL300012104980	0	38	0.0	-41.37	329.76	4.06	-37.31
CC1=NOC(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)=N1	REAL300012104981	0	36	0.0	-38.11	318.83	1.78	-36.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CC=C(Br)C=C3)C2)=N1	REAL300012104982	0	39	0.0	-42.11	344.43	3.96	-38.15
CC1=CC=C(S(=O)(=O)N(C)CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C	REAL300012104983	0	45	0.0	-40.10	378.50	1.70	-38.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(S(=O)(=O)NC3=CC=CC=C3F)=CN2)=N1	REAL300012104984	0	41	0.0	-41.29	370.54	0.04	-41.25
CN1C=C(S(=O)(=O)N2CCCCC2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104985	0	47	0.0	-43.31	389.49	1.65	-41.66
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1N1C=NN=N1	REAL300012104986	0	36	0.0	-41.61	315.52	3.56	-38.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCSC2=CC=CC=C2Br)=N1	REAL300012104987	0	35	0.0	-36.68	327.90	4.90	-31.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCS(=O)(=O)C2=CC=C3CCCC3=C2)=N1	REAL300012104988	0	44	0.0	-43.00	374.72	2.81	-40.19
CC1=CC=C(OC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Br)=C1	REAL300012104989	0	38	0.0	-37.15	336.62	3.84	-33.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(Cl)C=C2C2CCCCC2)=N1	REAL300012104990	0	48	0.0	-37.78	393.85	6.36	-31.42
CCCNS(=O)(=O)C1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104991	0	46	0.0	-42.91	397.10	1.39	-41.52
CC1=CC(OC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Cl	REAL300012104992	0	38	0.0	-35.18	330.24	3.60	-31.58
CC(SC1=CC=C(Br)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104993	0	35	0.0	-33.93	326.40	4.75	-29.18
CCOC1=CC=C(C2=NOC(CCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=N2)C=C1	REAL300012104994	0	46	0.0	-40.86	392.11	2.78	-38.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(S(=O)(=O)N3CCNC(=O)C3)C=C2)=N1	REAL300012104995	0	44	0.0	-46.45	380.39	-1.53	-47.98
CC1=CC=C(C(C)C)C=C1OC(C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012104996	0	47	0.0	-35.28	375.07	5.17	-30.11
CC1=CC=C(Cl)C(OC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012104997	0	38	0.0	-37.02	332.23	3.73	-33.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(F)C=C3)C(=O)C=C2)=N1	REAL300012104998	0	37	0.0	-41.79	331.03	2.91	-38.88
CC(C)CNS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012104999	0	45	0.0	-40.51	383.94	0.89	-39.62
CC(OC1=CC=C(Cl)C(Cl)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105000	0	35	0.0	-36.33	326.68	3.47	-32.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(F)C(Cl)=C2)=N1	REAL300012105001	0	32	0.0	-38.53	299.46	2.50	-36.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(F)C(F)=C3)C3=C2CCC3)=N1	REAL300012105002	0	42	0.0	-41.02	365.92	5.38	-35.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(F)C(S(=O)(=O)NC3CC3)=C2)=N1	REAL300012105003	0	40	0.0	-40.16	360.97	0.33	-39.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(S(=O)(=O)NC3CC3)C=C2)=N1	REAL300012105004	0	46	0.0	-42.66	398.91	1.75	-40.91
[NH3+]C(CC(=O)[O-])C1=NOC(C=CC2=CC=C(S(=O)(=O)NC3CC3)C=C2)=N1	REAL300012105005	0	44	0.0	-42.63	386.97	1.44	-41.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(S(=O)(=O)NC3CC3)C=C2)=N1	REAL300012105005	1	44	0.0	-43.01	386.97	1.45	-41.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCOC2=CC=C(F)C=C2Cl)=N1	REAL300012105006	0	35	0.0	-37.14	320.81	3.35	-33.79
CN(C)S(=O)(=O)C1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105007	0	43	0.0	-42.91	373.55	1.60	-41.31
CC1=C(C2=CC=C(F)C=C2)N(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(=O)S1	REAL300012105008	0	41	0.0	-40.99	362.82	4.46	-36.53
CCNS(=O)(=O)C1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OC	REAL300012105009	0	47	0.0	-43.95	396.03	0.44	-43.51
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105010	0	45	0.0	-36.15	368.95	5.91	-30.24
CC(C)NS(=O)(=O)C1=CC=C(F)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105011	0	42	0.0	-40.94	365.76	0.36	-40.58
CC(C)NS(=O)(=O)C1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105012	0	46	0.0	-43.02	394.83	1.27	-41.75
CC(C)NS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1F	REAL300012105013	0	42	0.0	-40.71	368.02	0.12	-40.59
CCNS(=O)(=O)C1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105014	0	43	0.0	-43.04	375.60	0.63	-42.41
CCNS(=O)(=O)C1=CC=C(F)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105015	0	39	0.0	-41.23	348.60	-0.21	-41.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3F)C3=C2CCC3)=N1	REAL300012105016	0	42	0.0	-43.55	353.51	5.33	-38.22
CC1=CC=C(N2N=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C3=C2CCC3)C=C1	REAL300012105017	0	45	0.0	-39.03	374.63	5.93	-33.10
CC(C)(C)NS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1F	REAL300012105018	0	45	0.0	-40.63	377.46	0.61	-40.02
CN(C1=CC=CC=C1)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012105019	0	42	0.0	-37.84	354.86	4.85	-32.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3)C(=O)C=C2)=N1	REAL300012105020	0	37	0.0	-42.53	324.64	2.85	-39.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(F)C(S(=O)(=O)N3CCCC3)=C2)=N1	REAL300012105021	0	43	0.0	-40.73	371.66	1.52	-39.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC(C(F)(F)F)=C3)C=C2F)=N1	REAL300012105022	0	41	0.0	-40.06	363.78	7.18	-32.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC=C3)C=C2F)=N1	REAL300012105023	0	38	0.0	-35.22	325.08	5.84	-29.38
CC1CN(CC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)CC(C)O1	REAL300012105024	1	50	0.0	-35.23	393.14	3.29	-31.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSCC2=COC(C3=CC=CC=C3)=N2)=N1	REAL300012105025	0	41	0.0	-43.17	369.77	2.85	-40.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=CC3=CC=CC=C3C2=O)=N1	REAL300012105026	0	36	0.0	-41.13	314.86	1.96	-39.17
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C1=CC=C(C(C)(C)C)C=C1	REAL300012105027	0	54	0.0	-35.25	430.70	7.81	-27.44
CC[NH+](CC)CCOC1=CC=C(C2=NC([C@@H](N)CC(=O)[O-])=NO2)C=C1	REAL300012105028	1	49	0.0	-70.97	386.68	5.10	-65.87
N[C@@H](CC(=O)[O-])C1=NOC(C2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300012105029	1	46	0.0	-78.35	365.27	5.64	-72.71
CC1=NC2=CC=NN2C(C)=C1CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105030	0	42	0.0	-44.18	346.26	3.72	-40.46
COCCN1C(=O)C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2S1(=O)=O	REAL300012105031	0	43	0.0	-44.10	382.63	-0.79	-44.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC(N3C=CN=C3)=C2)=N1	REAL300012105032	0	34	0.0	-40.48	299.79	4.09	-36.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(NC(=O)C3=CC=CO3)=C2)=N1	REAL300012105033	0	39	0.0	-39.44	342.77	2.44	-37.00
CCCCC1=CC=C(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105034	0	48	0.0	-37.15	396.01	6.73	-30.42
COC1=CC=C(C(=O)CCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105035	0	43	0.0	-45.54	360.92	3.82	-41.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC(Cl)=CC(Cl)=C3)S2)=N1	REAL300012105036	0	35	0.0	-35.55	348.40	6.13	-29.42
CN(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C(=O)C1=CC=C(Br)S1	REAL300012105037	0	35	0.0	-38.98	330.42	2.17	-36.81
CC(C)OC1=CC=C(NS(=O)(=O)CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105038	0	46	0.0	-44.93	389.76	0.14	-44.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(F)C(Br)=C2)=N1	REAL300012105039	0	31	0.0	-39.16	295.42	3.77	-35.39
COC1=CC=CC2=C1OCC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=C2	REAL300012105040	0	38	0.0	-37.45	321.62	2.76	-34.69
CN(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C(=O)C1=CC=C(Br)O1	REAL300012105041	0	35	0.0	-37.51	324.76	1.76	-35.75
CC(C)NC(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105042	0	43	0.0	-39.06	359.74	1.60	-37.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=C(C3=CC=CC=C3)C=CC2=O)=N1	REAL300012105043	0	40	0.0	-39.85	344.30	3.32	-36.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C(=O)C3=CC=C(Cl)S3)CC2)=N1	REAL300012105044	0	42	0.0	-40.26	369.14	3.79	-36.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=C(Cl)S3)=N2)=N1	REAL300012105045	0	31	0.0	-38.58	320.54	2.76	-35.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=CC=C(Cl)S3)=N2)=N1	REAL300012105046	0	34	0.0	-40.45	341.67	3.55	-36.90
CC(C(=O)N(C)CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N1C=CC=N1	REAL300012105047	0	41	0.0	-49.13	340.00	1.21	-47.92
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC(C)=CC=C1	REAL300012105048	0	40	0.0	-41.38	339.49	3.12	-38.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC3=CC=CC=C3C=C2)=N1	REAL300012105049	0	40	0.0	-37.02	336.02	6.16	-30.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC(Cl)=C3)N=C2)=N1	REAL300012105050	0	35	0.0	-37.01	322.66	4.11	-32.90
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC(Cl)=C3)C=C2)=N1	REAL300012105051	0	35	0.0	-38.18	322.73	3.95	-34.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C=C(Br)C=N2)=N1	REAL300012105052	0	31	0.0	-36.99	292.59	1.71	-35.28
CCN(CC)C1=NC2=C(C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)S1	REAL300012105053	0	41	0.0	-36.96	365.31	4.54	-32.42
CN(C)C1=NC2=C(C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)S1	REAL300012105054	0	35	0.0	-37.40	326.61	2.77	-34.63
COC1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(OC)=C1OC	REAL300012105055	0	46	0.0	-40.23	382.12	3.09	-37.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)N2CCC3=C(C=CS3)C2)=N1	REAL300012105056	0	42	0.0	-38.84	356.43	3.70	-35.14
CNC(=O)COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012105057	0	43	0.0	-46.55	365.64	1.02	-45.53
CC1=CC=C(C2=NOC(CCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=N2)C=C1F	REAL300012105058	0	42	0.0	-41.07	367.50	3.25	-37.82
CC1=CC(C2=NOC(CCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=N2)=CC=C1F	REAL300012105059	0	42	0.0	-40.02	367.49	3.24	-36.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(NC(=O)NC3CC3)=C2)=N1	REAL300012105060	0	41	0.0	-39.63	349.32	1.66	-37.97
CCN1C(=O)C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2S1(=O)=O	REAL300012105061	0	39	0.0	-42.32	351.04	-0.22	-42.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)NC2CCCCC2)=N1	REAL300012105062	0	43	0.0	-38.32	346.39	-0.11	-38.43
N[C@@H](CC(=O)[O-])C1=NOC(C2CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300012105063	1	46	0.0	-70.27	353.68	5.57	-64.70
N[C@@H](CC(=O)[O-])C1=NOC(C2CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300012105063	1	46	0.0	-70.04	353.62	5.56	-64.48
CC1=C(Br)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1	REAL300012105064	0	28	0.0	-37.07	267.26	-0.20	-37.27
CC(NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1[N+](=O)[O-])C1=CC=CC=N1	REAL300012105065	0	47	0.0	-42.76	397.23	5.00	-37.76
COC1=CC=C(Cl)C=C1NCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105066	0	37	0.0	-36.74	327.14	1.20	-35.54
CC1=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=CC=C1	REAL300012105067	0	40	0.0	-45.57	340.57	3.36	-42.21
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=CC(Cl)=C1	REAL300012105068	0	37	0.0	-42.97	334.82	2.98	-39.99
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=CC=C1	REAL300012105069	0	37	0.0	-41.39	316.43	2.42	-38.97
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=C(C)C=C1	REAL300012105070	0	40	0.0	-40.96	337.86	3.10	-37.86
NC(=O)C1CCCN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C1	REAL300012105071	0	47	0.0	-40.39	375.14	0.30	-40.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=C3OCOC3=C2)=N1	REAL300012105072	0	31	0.0	-36.27	293.81	1.70	-34.57
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=CC(Br)=C1	REAL300012105073	0	37	0.0	-42.98	339.38	3.07	-39.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=C(C(F)(F)F)C=N3)N=N2)=N1	REAL300012105074	0	36	0.0	-38.95	337.10	2.38	-36.57
CC1CCC(NS(=O)(=O)CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012105075	0	45	0.0	-44.87	361.11	-0.33	-45.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC(NC(=O)C3CCCC3)CC2)=N1	REAL300012105076	0	51	0.0	-39.66	389.78	4.04	-35.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC(NC(=O)CC3CCCC3)CC2)=N1	REAL300012105077	0	54	0.0	-39.43	409.94	4.77	-34.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC(NC(=O)CC3CCCCC3)CC2)=N1	REAL300012105078	0	57	0.0	-39.94	431.02	5.01	-34.93
CCCOC1=CC=C(C2=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=C1	REAL300012105079	0	44	0.0	-37.99	384.24	4.12	-33.87
CC(=O)N1C2=CC=CC=C2C[C@H]1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105080	0	39	0.0	-40.86	321.72	3.16	-37.70
CC1=CC=CN2C=C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=C12	REAL300012105081	0	37	0.0	-43.32	316.53	4.19	-39.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=C(Cl)C=N3)O2)=N1	REAL300012105082	0	35	0.0	-39.19	329.12	2.75	-36.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=C(Br)C=N3)O2)=N1	REAL300012105083	0	35	0.0	-39.09	333.75	2.85	-36.24
COC1=CC(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OCC(F)(F)F	REAL300012105084	0	45	0.0	-41.51	390.09	4.48	-37.03
CC1=CC=C(I)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105086	0	31	0.0	-34.27	289.34	5.12	-29.15
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=CC=C2I)=N1	REAL300012105087	0	28	0.0	-34.20	274.40	3.33	-30.87
CCOC(=O)C1=NN(C2=CC=CC=C2)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1	REAL300012105088	0	46	0.0	-37.98	389.72	4.34	-33.64
CN1C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1C1=CC=C(Br)C=C1	REAL300012105089	0	39	0.0	-35.96	344.37	5.50	-30.46
CCC[N@H+](CC)CC1=CC=C(C2=NC([C@@H](N)CC(=O)[O-])=NO2)C=C1	REAL300012105090	1	48	0.0	-72.98	373.00	5.75	-67.23
CCC[N@@H+](CC)CC1=CC=C(C2=NC([C@@H](N)CC(=O)[O-])=NO2)C=C1	REAL300012105090	1	48	0.0	-73.52	379.37	6.11	-67.41
CCCNC(=O)NC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105091	0	46	0.0	-41.68	382.62	2.23	-39.45
CC1=C(C2=CC=C(F)C=C2)SC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105092	0	38	0.0	-35.58	342.48	5.79	-29.79
CC1=C(C2=CC=CC(Cl)=C2)SC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105093	0	38	0.0	-35.62	352.87	6.25	-29.37
CC[N@H+](CC1=CC=C(C2=NC([C@@H](N)CC(=O)[O-])=NO2)C=C1)C(C)C	REAL300012105094	1	48	0.0	-70.67	366.64	5.43	-65.24
CC[N@@H+](CC1=CC=C(C2=NC([C@@H](N)CC(=O)[O-])=NO2)C=C1)C(C)C	REAL300012105094	1	48	0.0	-70.70	361.14	5.17	-65.53
CC(C)(C)C1=CC=C(CCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105095	0	52	0.0	-35.44	409.10	7.79	-27.65
CC(=O)N(CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)CC1=CC=CC=C1	REAL300012105096	0	44	0.0	-41.69	360.18	4.29	-37.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C3=CC=CC=C3CCCC2=O)=N1	REAL300012105097	0	42	0.0	-36.70	337.68	4.76	-31.94
CS(=O)(=O)CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=CC=CC=C21	REAL300012105098	0	40	0.0	-46.27	356.17	0.88	-45.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(CC3=CC=C(F)C=C3)S2)=N1	REAL300012105099	0	37	0.0	-37.22	341.51	4.13	-33.09
CC1=NC(C2=CSC=C2)=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105100	0	37	0.0	-35.99	324.61	3.59	-32.40
CC1=NC(C2=CC=CO2)=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105101	0	37	0.0	-36.96	318.61	2.82	-34.14
CC1(C)CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C21	REAL300012105102	0	44	0.0	-33.41	340.37	5.40	-28.01
COC1=CC=C(CN2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)C=C1	REAL300012105103	0	46	0.0	-43.21	382.73	3.29	-39.92
CC1=NN(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C1[N+](=O)[O-]	REAL300012105104	0	39	0.0	-42.65	343.36	2.89	-39.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3)C(C3CC3)=N2)=N1	REAL300012105105	0	41	0.0	-38.75	351.67	5.33	-33.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=C4OCOC4=C3)=N2)=N1	REAL300012105106	0	37	0.0	-39.29	337.50	1.75	-37.54
CC1CCN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=N2)CC1	REAL300012105107	0	45	0.0	-35.52	357.93	3.69	-31.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=CC=C2OC(F)(F)F)=N1	REAL300012105108	0	38	0.0	-36.86	334.72	3.75	-33.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(OC(F)(F)F)C=C2)=N1	REAL300012105109	0	38	0.0	-36.89	335.90	3.70	-33.19
COC1=CC=C(CN2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=N2)C=C1	REAL300012105110	0	42	0.0	-41.37	360.92	3.34	-38.03
CC1=CC2=NC(C3=CC=CC=C3)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2C=C1C	REAL300012105111	0	49	0.0	-37.05	398.51	7.45	-29.60
CC1(C)CC2=C(SC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)C2=CC=CC=C21	REAL300012105112	0	45	0.0	-35.32	374.00	7.05	-28.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)NCC2=CC=C(Cl)C=C2)=N1	REAL300012105113	0	40	0.0	-39.04	360.78	0.70	-38.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COCC(=O)NCC2=CC=CN=C2)=N1	REAL300012105114	0	41	0.0	-48.20	357.41	0.08	-48.12
CC(OC1=CC=CC=C1C(F)(F)F)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105115	0	38	0.0	-39.00	332.28	3.60	-35.40
CC(OC1=CC(Cl)=CC(Cl)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105116	0	35	0.0	-35.47	328.26	3.53	-31.94
COC1=CC=C(CCCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105117	0	47	0.0	-38.15	383.90	5.54	-32.61
CC1=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C(C2=CSC=C2)O1	REAL300012105118	0	37	0.0	-41.09	335.89	1.15	-39.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC3(CC2)NC(=O)NC3=O)=N1	REAL300012105119	0	40	0.0	-41.57	321.21	-2.30	-43.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3NC(=O)C(=O)NC3=C2)=N1	REAL300012105120	0	34	0.0	-44.87	303.00	-0.55	-45.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012105121	0	35	0.0	-37.40	316.72	4.60	-32.80
CCC1=NC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2N=C1CC	REAL300012105122	0	44	0.0	-37.30	362.06	3.33	-33.97
CC1=CC(Br)=CC(Cl)=C1OCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105123	0	35	0.0	-35.75	338.21	3.99	-31.76
CC(NC1=NS(=O)(=O)C2=CC=CC=C21)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105124	0	40	0.0	-50.34	353.51	-0.61	-50.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCNC2=NS(=O)(=O)C3=CC=CC=C32)=N1	REAL300012105125	0	43	0.0	-52.07	376.20	0.21	-51.86
CC(=O)C1=CC=C(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)O2)C=C1	REAL300012105126	0	40	0.0	-44.11	348.17	4.55	-39.56
CC1=C(C)C2=C(SCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=C(C)N=C2S1	REAL300012105127	0	42	0.0	-38.64	372.79	4.10	-34.54
CCN1C(=O)C(=O)NC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C21	REAL300012105128	0	40	0.0	-45.31	340.99	2.04	-43.27
CC1=CC(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(C)S1	REAL300012105129	0	39	0.0	-36.32	341.54	4.33	-31.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(NC3CC3)C([N+](=O)[O-])=C2)=N1	REAL300012105130	0	39	0.0	-38.08	337.70	3.78	-34.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)=N1	REAL300012105131	0	45	0.0	-44.70	390.60	1.75	-42.95
CN(C)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1[N+](=O)[O-]	REAL300012105132	0	38	0.0	-39.41	326.77	3.69	-35.72
CC1=CC=C(C2(C)NC(=O)N(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=O)C=C1	REAL300012105133	0	46	0.0	-39.60	384.59	2.48	-37.12
COC1=CC=C(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)C(OC)=C1	REAL300012105134	0	47	0.0	-44.26	390.37	2.30	-41.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(CC3=CC=CC=C3Cl)C2)=N1	REAL300012105135	0	42	0.0	-42.24	364.48	5.07	-37.17
CSC1=CC=CC(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)=C1	REAL300012105136	0	43	0.0	-46.12	364.11	4.36	-41.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNS(=O)(=O)C2=CC=C(F)C=C2)=N1	REAL300012105137	0	39	0.0	-44.01	351.05	-0.46	-44.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2(CC(=O)N3CCOCC3)CCCC2)=N1	REAL300012105138	0	52	0.0	-35.61	391.56	2.99	-32.62
CC1=CC(C)=C(S(=O)(=O)NCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C1	REAL300012105139	0	48	0.0	-42.67	388.76	1.49	-41.18
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105140	0	51	0.0	-43.37	420.85	1.80	-41.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2NC(=O)N(C3=CC=C(F)C=C3)C2=O)=N1	REAL300012105141	0	40	0.0	-42.25	344.97	1.27	-40.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=CNC3=S)C=C2)=N1	REAL300012105142	0	36	0.0	-48.72	328.99	5.17	-43.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CCCC(C(F)(F)F)C2)=N1	REAL300012105143	0	40	0.0	-36.44	320.25	4.18	-32.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=C(Br)C=N2)=N1	REAL300012105144	0	28	0.0	-41.74	271.07	0.95	-40.79
CC1=NN(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C1Br	REAL300012105145	0	34	0.0	-39.04	310.90	1.98	-37.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCS(=O)(=O)N2CCCC2)=N1	REAL300012105146	0	42	0.0	-47.09	354.21	0.08	-47.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)OCC(F)(F)F)=N1	REAL300012105147	0	32	0.0	-38.71	300.07	-1.51	-40.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=CC3=C2NC(=S)N3)=N1	REAL300012105148	0	32	0.0	-43.19	298.70	2.20	-40.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3N=CC=C3C3=CC=C(F)C=C3)C=C2)=N1	REAL300012105149	0	45	0.0	-38.76	385.07	6.72	-32.04
CN1C2=C(NC(CCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=N2)C(=O)NC1=O	REAL300012105150	0	40	0.0	-43.88	345.77	-0.47	-44.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCOC2=CC=C(Cl)C=C2Br)=N1	REAL300012105151	0	35	0.0	-36.72	335.52	3.90	-32.82
CC1=CC=C(OCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Br)=C1	REAL300012105152	0	38	0.0	-36.54	340.20	4.06	-32.48
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C([N+](=O)[O-])C(F)=C2)=N1	REAL300012105153	0	34	0.0	-44.97	309.60	2.62	-42.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3NC(=O)CCC3=O)C=C2)=N1	REAL300012105154	0	40	0.0	-40.42	343.40	1.45	-38.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C3CC3)OC(C3=CC=CC=C3)=N2)=N1	REAL300012105155	0	41	0.0	-37.78	353.97	3.05	-34.73
COC1=CC=C(C(=O)CNC(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105156	0	47	0.0	-41.27	398.39	1.49	-39.78
NS(=O)(=O)CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1	REAL300012105157	0	36	0.0	-44.65	324.60	-1.92	-46.57
NS(=O)(=O)C1=C(Br)SC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105158	0	30	0.0	-40.11	310.95	-2.93	-43.04
C=CCN1C(=O)C(=O)N(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1=O	REAL300012105159	0	36	0.0	-40.10	327.62	0.62	-39.48
CC1(C)CC(=O)C2=C(C1)NC(=O)C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=C2	REAL300012105160	0	43	0.0	-45.25	351.98	2.17	-43.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)C2=C3C=CC=CC3=NN2)=N1	REAL300012105161	0	41	0.0	-47.20	352.04	0.28	-46.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CN3C=C(Cl)C=C(Cl)C3=N2)=N1	REAL300012105162	0	34	0.0	-43.82	328.80	4.57	-39.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3N=C(C(F)F)NC3=C2)=N1	REAL300012105163	0	34	0.0	-37.74	307.26	2.07	-35.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3NC(C(F)F)=NC3=C2)=N1	REAL300012105163	1	34	0.0	-37.43	307.26	2.07	-35.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(CC3=CC=C(F)C=C3)=N2)=N1	REAL300012105164	0	37	0.0	-40.19	341.02	3.83	-36.36
NS(=O)(=O)C1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105166	0	36	0.0	-46.24	322.59	-1.93	-48.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(CN3CCOCC3)=C2)=N1	REAL300012105167	0	44	0.0	-35.54	355.34	1.50	-34.04
CCCN(CCC)C(=O)CCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105168	0	49	0.0	-43.57	392.14	4.60	-38.97
CC1=CC=C(Br)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105169	0	31	0.0	-34.87	283.14	3.49	-31.38
COCCCOC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105170	0	42	0.0	-36.33	352.99	2.52	-33.81
CCCC1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1F	REAL300012105171	0	43	0.0	-41.57	369.69	5.33	-36.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=CC(Cl)=C3Cl)N=N2)=N1	REAL300012105172	0	37	0.0	-42.94	359.88	2.21	-40.73
COC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1N1CCNC1=O	REAL300012105173	0	42	0.0	-44.30	355.51	0.81	-43.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CNC(=O)C(Br)=C2)=N1	REAL300012105174	0	28	0.0	-45.15	271.66	-0.04	-45.19
CC(C)CC(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1F	REAL300012105175	0	44	0.0	-36.81	366.08	3.59	-33.22
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1NC(=O)CC(C)C	REAL300012105176	0	47	0.0	-39.16	379.76	4.38	-34.78
CC(C)(C)C(=O)N1CCOC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1	REAL300012105177	0	45	0.0	-40.00	346.33	0.57	-39.43
CN(CCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300012105178	0	46	0.0	-53.04	389.16	1.75	-51.29
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1C(F)(F)F	REAL300012105179	0	37	0.0	-36.44	317.72	4.30	-32.14
COC1=CC=C2SC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C(C)C2=C1	REAL300012105180	0	38	0.0	-35.86	328.36	3.53	-32.33
CC(OC1=CC=CC(Br)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105181	0	35	0.0	-35.54	316.07	3.13	-32.41
CC1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCCN(C(=O)C2=CC=CC=C2)C1	REAL300012105182	0	48	0.0	-41.34	377.38	4.84	-36.50
CC(C)(C)CC(=O)NC1=CC=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105183	0	47	0.0	-38.51	388.72	5.17	-33.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(N3CCNC3=O)=CC=C2Cl)=N1	REAL300012105184	0	38	0.0	-42.59	331.27	2.31	-40.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(CC2=CC=CC=C2)C2=CC=CC=C2)=N1	REAL300012105185	0	47	0.0	-39.32	384.17	7.86	-31.46
COCCOCC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1F	REAL300012105186	0	42	0.0	-35.59	360.71	2.57	-33.02
CC(C)C1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1F	REAL300012105187	0	43	0.0	-41.49	368.73	5.02	-36.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C(=O)C3=CC=NC=C3)C2)=N1	REAL300012105188	0	44	0.0	-41.49	356.71	2.39	-39.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC(Br)=C3OCCOC3=C2)=N1	REAL300012105189	0	38	0.0	-38.71	342.82	3.40	-35.31
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1N1C=NC=N1	REAL300012105190	0	37	0.0	-38.88	320.64	5.95	-32.93
CC1=CC(N2C=NC=N2)=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105191	0	37	0.0	-39.53	315.02	5.39	-34.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=NN(C3=CC=C(F)C=C3)C=C2)=N1	REAL300012105192	0	38	0.0	-42.39	333.65	4.28	-38.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC(F)=C(F)C(F)=C3)C=C2)=N1	REAL300012105193	0	38	0.0	-38.90	339.56	6.02	-32.88
CN(C)C(=O)CS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105194	0	44	0.0	-52.49	384.95	0.42	-52.07
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(NC(C)=O)=C1OC	REAL300012105195	0	43	0.0	-39.15	364.46	0.74	-38.41
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105196	0	38	0.0	-36.79	341.35	4.59	-32.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C(=O)C3C4CCC(O4)C3C2=O)=N1	REAL300012105197	0	43	0.0	-38.96	344.20	0.61	-38.35
CCOC(C)C1=NC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012105198	0	37	0.0	-36.91	329.42	1.01	-35.90
CC(C)N1C=C(Br)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105199	0	35	0.0	-35.06	312.81	3.76	-31.30
CC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1Br	REAL300012105200	0	37	0.0	-36.98	322.72	4.73	-32.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NN=CN2C2=CC=CC=C2)=N1	REAL300012105201	0	40	0.0	-41.50	341.37	6.12	-35.38
CCCOC1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105202	0	44	0.0	-36.66	362.76	4.93	-31.73
CC(=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC(C(F)(F)F)=C1	REAL300012105203	0	38	0.0	-35.33	336.23	6.31	-29.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(NC(=O)C3CC3)C=C2)=N1	REAL300012105204	0	42	0.0	-40.91	355.60	3.59	-37.32
CC(C)(C)C(=O)NC1=CC=C(F)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105205	0	44	0.0	-39.96	366.15	3.69	-36.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC(C3=CC=CC=C3)CC2)=N1	REAL300012105206	0	44	0.0	-35.20	337.81	5.63	-29.57
CC(C)(C)C(=O)NC1=NC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CS1	REAL300012105207	0	43	0.0	-39.86	367.87	2.11	-37.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=NOC(C4=CC=C(F)C=C4)=N3)C=C2)=N1	REAL300012105208	0	43	0.0	-37.12	384.52	4.91	-32.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Cl)C(N3CCNC3=O)=C2)=N1	REAL300012105209	0	38	0.0	-42.89	342.30	2.18	-40.71
CCCCCCCCCCCCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105210	0	57	0.0	-34.22	444.98	8.69	-25.53
CC1=C(Br)C=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105211	0	31	0.0	-33.92	279.92	3.39	-30.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C3=C4C=CSC4=NC=N3)C2)=N1	REAL300012105212	0	44	0.0	-38.83	364.95	3.84	-34.99
CC(C)C1=NN(C)C2=C1C=C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)S2	REAL300012105213	0	40	0.0	-37.00	350.92	3.41	-33.59
CN(C)C(=O)N1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012105215	0	43	0.0	-41.53	333.52	1.70	-39.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(F)=C3)CCOCC2)=N1	REAL300012105216	0	42	0.0	-37.54	333.41	3.52	-34.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(Cl)C=C2Cl)=N1	REAL300012105217	0	32	0.0	-40.19	309.64	3.00	-37.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300012105218	0	32	0.0	-39.97	302.87	3.76	-36.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC=C3)=NC3=CC=CC=C32)=N1	REAL300012105219	0	43	0.0	-37.26	359.64	6.24	-31.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Br)C=C2)=N1	REAL300012105220	0	28	0.0	-34.20	267.77	3.05	-31.15
CC1=CC(SCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(C)C=C1Br	REAL300012105221	0	38	0.0	-37.27	345.16	5.30	-31.97
CCCCCCCCCCCCCCCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105222	0	66	0.0	-34.18	509.47	11.03	-23.15
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=CC=C3)C=C2)=N1	REAL300012105223	0	39	0.0	-35.84	335.14	5.27	-30.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Cl)C=C2[N+](=O)[O-])=N1	REAL300012105224	0	30	0.0	-40.16	286.57	3.88	-36.28
CCOC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OCC)=C1OCC	REAL300012105225	0	49	0.0	-37.54	403.86	4.35	-33.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(I)C=C2)=N1	REAL300012105226	0	28	0.0	-34.00	274.25	3.52	-30.48
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOC2=CC=C(Cl)C=C2Cl)=N1	REAL300012105227	0	38	0.0	-40.29	352.63	4.56	-35.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3CCCC3)C([N+](=O)[O-])=C2)=N1	REAL300012105228	0	42	0.0	-39.51	350.03	4.69	-34.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(Br)=C2)=N1	REAL300012105229	0	28	0.0	-34.09	267.78	3.04	-31.05
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OC(C)C	REAL300012105230	0	42	0.0	-36.43	344.88	3.16	-33.27
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OCCC(C)C	REAL300012105231	0	48	0.0	-36.23	387.54	4.66	-31.57
CCCCCCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012105232	0	51	0.0	-36.20	412.97	5.70	-30.50
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OCC1=CC=CC=C1	REAL300012105233	0	46	0.0	-37.83	386.89	5.61	-32.22
COC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OC(F)F	REAL300012105234	0	40	0.0	-40.51	346.41	3.08	-37.43
CCCCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012105235	0	45	0.0	-36.33	369.97	4.14	-32.19
CC1=CC(OCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Cl	REAL300012105236	0	41	0.0	-38.83	355.32	4.59	-34.24
CC1=NN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C(C)=C1Cl	REAL300012105237	0	41	0.0	-37.77	361.52	5.10	-32.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300012105238	0	34	0.0	-42.78	315.39	4.22	-38.56
CCOC1=CC=C(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105239	0	43	0.0	-38.63	361.28	3.97	-34.66
COC1=CC=C(OCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105240	0	42	0.0	-40.02	349.37	2.77	-37.25
CC(C)(C)C1=CC=C(OCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105241	0	50	0.0	-38.14	396.04	5.81	-32.33
CCOC1=CC=CC=C1OCCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105242	0	45	0.0	-41.22	370.98	4.31	-36.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(S(=O)(=O)N3CCCC3)S2)=N1	REAL300012105243	0	43	0.0	-45.88	382.74	1.40	-44.48
CCCCCCN1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C2C1=O	REAL300012105244	0	51	0.0	-40.12	416.80	5.40	-34.72
CC(C)CCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105245	0	44	0.0	-34.19	358.33	4.76	-29.43
CCCCCCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105246	0	47	0.0	-34.21	383.76	5.80	-28.41
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OCC(C)C	REAL300012105247	0	45	0.0	-36.22	368.58	4.03	-32.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(=O)C3=CC=CC=C3)C=C2)=N1	REAL300012105248	0	40	0.0	-38.28	343.07	5.68	-32.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Br)S2)=N1	REAL300012105249	0	25	0.0	-34.25	258.53	2.14	-32.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C(=O)CCC3=O)C=C2)=N1	REAL300012105250	0	38	0.0	-42.57	333.07	3.00	-39.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC([N+](=O)[O-])=CC=C3S2)=N1	REAL300012105251	0	33	0.0	-38.62	312.14	4.45	-34.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(CC3=CC=CC=C3)C2)=N1	REAL300012105252	0	42	0.0	-43.19	353.23	3.99	-39.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOC2=CC=CC(Br)=C2)=N1	REAL300012105253	0	38	0.0	-39.73	341.17	4.11	-35.62
CC1=C(C)C2=C(SCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=CN=C2S1	REAL300012105254	0	39	0.0	-38.25	349.56	4.09	-34.16
CC1=CC=C(C)C(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105255	0	42	0.0	-36.65	347.44	5.07	-31.58
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OC(F)F	REAL300012105256	0	36	0.0	-37.84	314.88	1.91	-35.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(NC(=O)C2=CC=CC=C2)C2=CC=CC=C2)=N1	REAL300012105257	0	48	0.0	-42.56	403.99	5.70	-36.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OCC3=CC=CC=C3)C=C2)=N1	REAL300012105258	0	42	0.0	-35.68	357.67	5.71	-29.97
CCCCCOC1=CC=C(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105259	0	52	0.0	-38.25	425.77	6.33	-31.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC(=O)C3=CC=CC=C3N2)=N1	REAL300012105260	0	39	0.0	-48.85	334.41	1.92	-46.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(S(=O)(=O)N3CCCCC3)C=C2)=N1	REAL300012105261	0	49	0.0	-42.27	405.54	3.10	-39.17
CC1=CC=C(S(=O)(=O)NCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C	REAL300012105262	0	45	0.0	-43.87	383.07	0.68	-43.19
CC1=CC(Cl)=CC=C1OC(C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105263	0	38	0.0	-36.14	331.60	3.76	-32.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(NS(=O)(=O)C3=CC=CC=C3)=C2)=N1	REAL300012105264	0	43	0.0	-40.90	381.56	2.25	-38.65
CC1=NN(CC2=CC=C(C)C=C2)C(C)=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105265	0	51	0.0	-39.34	422.30	6.93	-32.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)NC23CC4CC(CC(C4)C2)C3)=N1	REAL300012105266	0	54	0.0	-43.78	401.21	2.18	-41.60
COC1=CC=C(Br)C=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105267	0	36	0.0	-35.47	327.67	3.57	-31.90
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(Br)C=C2)=N1	REAL300012105268	0	32	0.0	-36.18	299.31	4.22	-31.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCSC2=CC=C(F)C=C2)=N1	REAL300012105269	0	35	0.0	-36.99	315.10	4.41	-32.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=O)NC3(CCC4=CC=CC=C43)C2=O)=N1	REAL300012105270	0	44	0.0	-40.80	372.25	2.02	-38.78
CC1CC2(CC(C)(C)C1)NC(=O)N(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2=O	REAL300012105271	0	52	0.0	-38.63	401.62	2.19	-36.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2=CC=CC=C2Cl)=N1	REAL300012105272	0	32	0.0	-39.11	302.21	4.00	-35.11
CCC1(CC)NC(=O)N(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1=O	REAL300012105273	0	42	0.0	-39.31	346.56	0.51	-38.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=O)N(CC4=CC=CC=C4)C(=O)C3=C2)=N1	REAL300012105274	0	45	0.0	-39.53	394.05	5.70	-33.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=O)N(C4CCCCC4)C(=O)C3=C2)=N1	REAL300012105275	0	48	0.0	-38.59	390.94	5.14	-33.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSCC(=O)N2CCCCC2)=N1	REAL300012105276	0	42	0.0	-45.75	350.33	3.03	-42.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSCC(=O)N2CCOCC2)=N1	REAL300012105277	0	40	0.0	-46.87	341.50	0.61	-46.26
CN(C(=O)CSCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1CCCCC1	REAL300012105278	0	48	0.0	-45.93	388.52	4.35	-41.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)CC2=CC=CC=C2)=N1	REAL300012105279	0	41	0.0	-45.63	349.60	2.25	-43.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNS(=O)(=O)C2=CC=CC(Cl)=C2)=N1	REAL300012105280	0	39	0.0	-43.71	361.38	-0.01	-43.72
CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105281	0	40	0.0	-47.11	352.02	2.23	-44.88
CC(OC1=CC=C(Br)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105282	0	35	0.0	-35.13	316.09	3.12	-32.01
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105283	0	45	0.0	-39.50	386.27	5.96	-33.54
CC1=NN(C2=CC=C(F)C=C2)C(Cl)=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105284	0	42	0.0	-37.72	381.81	5.81	-31.91
CC1=C(C)C=C2C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=COC2=C1	REAL300012105285	0	40	0.0	-39.23	334.63	4.68	-34.55
COC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Cl)=C1OC	REAL300012105286	0	40	0.0	-39.73	356.64	3.46	-36.27
CC1=CC=C2C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=COC2=C1C	REAL300012105287	0	40	0.0	-39.22	335.35	4.71	-34.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(COC3=CC4=CC=CC=C4C=C3)O2)=N1	REAL300012105288	0	45	0.0	-40.03	385.57	6.11	-33.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(CCCCCC3)S2)=N1	REAL300012105289	0	41	0.0	-33.45	326.10	4.92	-28.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(S2)C2=CC=CC=C2CC3)=N1	REAL300012105290	0	39	0.0	-35.75	338.87	6.19	-29.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(S2)C2=CC=CC=C2OC3)=N1	REAL300012105291	0	37	0.0	-36.77	330.24	4.33	-32.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C3OCCOC3=C2)=N1	REAL300012105292	0	38	0.0	-38.21	322.51	2.75	-35.46
CC(C)(C)C1CCC2=C(C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)C1	REAL300012105293	0	47	0.0	-33.35	369.62	6.08	-27.27
CCOC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012105294	0	43	0.0	-39.21	358.51	3.73	-35.48
CCOC1=C(Cl)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012105295	0	39	0.0	-36.80	346.96	3.22	-33.58
CCOC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Cl)=C1OC	REAL300012105296	0	43	0.0	-39.41	378.50	4.38	-35.03
CSC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1[N+](=O)[O-]	REAL300012105297	0	34	0.0	-39.72	310.20	3.95	-35.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=CC=C2F)=N1	REAL300012105298	0	28	0.0	-34.35	272.29	3.05	-31.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300012105299	0	37	0.0	-39.32	349.72	4.43	-34.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CC=CC=C3F)C2)=N1	REAL300012105300	0	39	0.0	-43.38	337.86	3.69	-39.69
CC(SC1=CC=C([N+](=O)[O-])C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105301	0	37	0.0	-38.51	333.31	4.79	-33.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(NC(=O)C3CC3)=C2)=N1	REAL300012105302	0	39	0.0	-39.03	333.67	2.90	-36.13
CCCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OCCC	REAL300012105303	0	48	0.0	-35.92	391.83	5.08	-30.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)C23CC4CC(CC(C4)C2)C3)=N1	REAL300012105304	0	52	0.0	-43.70	389.78	3.51	-40.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3CCCCC3)C=C2)=N1	REAL300012105305	0	44	0.0	-33.43	348.26	6.22	-27.21
CC(C)N1N=CC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C(C3=CC=CC=C3)N=C21	REAL300012105306	0	49	0.0	-37.75	407.92	6.63	-31.12
CN(CCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300012105307	0	45	0.0	-43.62	390.06	2.12	-41.50
CC1=CC=C(SCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C	REAL300012105308	0	41	0.0	-36.29	347.09	5.55	-30.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(OC(F)F)C=C2OC(F)F)=N1	REAL300012105309	0	40	0.0	-40.66	355.29	2.81	-37.85
CC(OC1=CC=C(C(C)(C)C)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105310	0	47	0.0	-34.19	370.96	4.82	-29.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=CC=CC=N3)=N2)=N1	REAL300012105311	0	36	0.0	-44.27	328.41	2.04	-42.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)N2CC(=O)NC3=CC=CC=C32)=N1	REAL300012105312	0	43	0.0	-42.67	359.09	1.60	-41.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(C3=CC=CC=C3F)O2)=N1	REAL300012105313	0	39	0.0	-39.56	348.56	5.63	-33.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC=C3F)O2)=N1	REAL300012105314	0	35	0.0	-39.42	315.65	4.29	-35.13
CC1=NC2=NC=NN2C(C)=C1CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105315	0	41	0.0	-48.11	340.88	5.81	-42.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(S(=O)(=O)NC3CC3)=C2)=N1	REAL300012105316	0	40	0.0	-40.78	355.47	0.27	-40.51
CCOC1=CC=C(SCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105317	0	39	0.0	-38.37	338.53	3.77	-34.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3CC3)=NC3=CC=CC=C32)=N1	REAL300012105318	0	40	0.0	-36.33	331.94	4.62	-31.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCNC(=O)C2=CC=CC=C2)=N1	REAL300012105319	0	41	0.0	-41.73	346.48	2.34	-39.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC(Cl)=C3OCCOC3=C2)=N1	REAL300012105320	0	38	0.0	-38.85	338.45	3.29	-35.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=C3OCCOC3=C2)=N1	REAL300012105321	0	34	0.0	-36.41	306.90	2.11	-34.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=C(Cl)C=C3Cl)O2)=N1	REAL300012105322	0	35	0.0	-36.01	339.39	5.10	-30.91
COC1=CC=CC(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1OC	REAL300012105323	0	42	0.0	-38.17	348.96	3.16	-35.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC=C3Cl)O2)=N1	REAL300012105324	0	35	0.0	-38.10	324.09	4.71	-33.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=C3OCOC3=C2)=N1	REAL300012105325	0	31	0.0	-36.32	289.25	1.59	-34.73
COC1=CC=C(Cl)C=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105326	0	35	0.0	-36.21	313.45	2.99	-33.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(S(=O)(=O)C3=CC=CS3)C2)=N1	REAL300012105327	0	43	0.0	-42.21	374.93	1.24	-40.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC(N3CCCC3=O)=C2)=N1	REAL300012105328	0	43	0.0	-48.07	354.69	3.05	-45.02
COC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OC)=C1	REAL300012105329	0	40	0.0	-37.16	336.95	2.21	-34.95
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OC)=C1Br	REAL300012105330	0	36	0.0	-37.25	324.91	1.75	-35.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(SC(F)(F)F)C=C2)=N1	REAL300012105331	0	32	0.0	-35.09	302.81	3.88	-31.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3N=NC4=CC=CC=C43)C=C2)=N1	REAL300012105332	0	43	0.0	-41.58	371.87	4.76	-36.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Br)C=C2F)=N1	REAL300012105333	0	28	0.0	-33.92	272.29	3.06	-30.86
CC1=NN(CC(C)C)C(C)=C1CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105334	0	49	0.0	-38.35	386.85	4.61	-33.74
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=CC=C(Cl)C=C2)=N1	REAL300012105335	0	37	0.0	-35.31	345.58	4.29	-31.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2COC3=CC=C(Cl)C=C3C2)=N1	REAL300012105336	0	36	0.0	-36.30	316.76	3.39	-32.91
CCOC1=CC=CC=C1C(=O)NCCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105337	0	48	0.0	-44.31	395.66	3.82	-40.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=CC3=CC=CC=C3C=C2)=N1	REAL300012105338	0	42	0.0	-38.73	356.16	5.99	-32.74
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105339	0	43	0.0	-40.93	369.81	4.39	-36.54
COC1=CC=C(C2=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=C1OC	REAL300012105340	0	42	0.0	-40.57	370.10	2.29	-38.28
CC1=CC=C(CN2N=CC3=C(C4=NC([C@@H]([NH3+])CC(=O)[O-])=NO4)C=C(C)N=C32)C=C1	REAL300012105341	0	49	0.0	-38.13	413.28	6.56	-31.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(N3CCCC3=O)C=C2)=N1	REAL300012105342	0	43	0.0	-42.67	354.71	3.05	-39.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(C3=CC=CC=C3F)O2)=N1	REAL300012105343	0	41	0.0	-39.61	358.58	5.89	-33.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(S(=O)(=O)N3CCCC3)C=C2)=N1	REAL300012105344	0	49	0.0	-42.78	412.37	3.02	-39.76
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OC)=C1OCC(N)=O	REAL300012105345	0	44	0.0	-46.33	376.87	-0.59	-46.92
CC1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=C(F)C=C1	REAL300012105346	0	37	0.0	-39.20	326.26	3.91	-35.29
CCN1C(=O)C2=CC=CC=C2N(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1=O	REAL300012105347	0	43	0.0	-45.99	359.60	3.87	-42.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OCC3=CN4C=CC=CC4=N3)=C2)=N1	REAL300012105348	0	45	0.0	-40.76	383.63	6.23	-34.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300012105349	0	34	0.0	-37.86	328.18	3.61	-34.25
CC1=NC(CSCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CS1	REAL300012105350	0	34	0.0	-39.15	319.69	2.14	-37.01
COC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OCC(N)=O	REAL300012105351	0	44	0.0	-49.17	375.24	0.76	-48.41
NC(=O)COC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105352	0	40	0.0	-46.03	346.03	1.00	-45.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=NC3=CC=CC=C3C2=O)=N1	REAL300012105353	0	35	0.0	-40.18	309.92	0.52	-39.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CN(C3=CC=CC=C3)N=C2)=N1	REAL300012105354	0	41	0.0	-39.99	348.74	5.09	-34.90
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCSC2=CC=CC=C2F)=N1	REAL300012105355	0	35	0.0	-37.58	314.47	4.38	-33.20
CSCC1=NC2=CC=CC=C2N1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105356	0	41	0.0	-44.70	357.86	5.04	-39.66
CCCN1C(=O)N(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C21	REAL300012105357	0	47	0.0	-40.03	392.43	6.01	-34.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC(Cl)=CC=C3OC2)=N1	REAL300012105358	0	34	0.0	-35.06	309.03	3.43	-31.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=C(F)C=C3)C=C2)=N1	REAL300012105359	0	39	0.0	-36.04	341.57	5.34	-30.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2N=NC3=CC=CC=C3C2=O)=N1	REAL300012105360	0	38	0.0	-40.62	331.42	1.26	-39.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OC3=CC=CC(C(F)(F)F)=C3)=C2)=N1	REAL300012105361	0	42	0.0	-36.91	373.90	6.26	-30.65
CC1=NC(COC2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=CS1	REAL300012105362	0	41	0.0	-36.50	362.78	3.51	-32.99
CS(=O)(=O)NCCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012105363	0	39	0.0	-43.79	358.75	-0.86	-44.65
CC1(C2=CC=C(F)C=C2)NC(=O)N(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1=O	REAL300012105364	0	43	0.0	-40.56	369.59	1.87	-38.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300012105365	0	41	0.0	-41.50	381.36	3.95	-37.55
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(COC2=CC=C(Cl)C=C2)=N1	REAL300012105366	0	41	0.0	-36.99	377.67	3.85	-33.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=COC(C3=CC=CC=C3)=N2)=N1	REAL300012105367	0	37	0.0	-42.13	325.02	1.53	-40.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C=NC3=C(C4=C(CCCC4)S3)C2=O)=N1	REAL300012105368	0	46	0.0	-46.91	386.55	5.80	-41.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(NC(=O)C3=CC=CC=C3)C=C2)=N1	REAL300012105369	0	42	0.0	-41.50	358.47	4.43	-37.07
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1=CC=C(F)C=C1	REAL300012105370	0	38	0.0	-37.84	329.42	3.99	-33.85
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1=CC=C(Br)C=C1	REAL300012105371	0	38	0.0	-37.39	344.29	4.55	-32.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C3=NN4C=NN=C4C=C3)CC2)=N1	REAL300012105372	0	44	0.0	-47.82	358.18	5.33	-42.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSCC2=CC(=O)N3C=CSC3=N2)=N1	REAL300012105373	0	37	0.0	-46.39	349.73	3.48	-42.91
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C(C2=CC=CO2)S1	REAL300012105374	0	34	0.0	-41.11	311.04	1.75	-39.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(C3=CC=C(Cl)C=C3)S2)=N1	REAL300012105375	0	39	0.0	-36.58	363.04	6.87	-29.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=CC=C(C(F)(F)F)C2=O)=N1	REAL300012105376	0	34	0.0	-46.85	309.99	2.45	-44.40
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=C(C)C(C)=NN(C)C2=O)=N1	REAL300012105377	0	45	0.0	-40.74	381.82	2.70	-38.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=C3CCCCCN3C2=O)=N1	REAL300012105378	0	41	0.0	-41.61	335.53	2.96	-38.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(C3=CC=CC=C3F)S2)=N1	REAL300012105379	0	39	0.0	-37.11	355.71	6.50	-30.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C(=O)C4=CC=CC=C4C3=O)C=C2)=N1	REAL300012105380	0	45	0.0	-39.34	394.11	5.70	-33.64
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1=CC(C)=CC=C1	REAL300012105381	0	41	0.0	-37.89	344.42	4.59	-33.30
CC(C)C1=CC=C(C2=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=C1	REAL300012105382	0	43	0.0	-37.50	371.61	5.01	-32.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(COC3=CC=C(F)C=C3)=N2)=N1	REAL300012105383	0	38	0.0	-40.93	349.49	2.66	-38.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NC(C3=CC=CO3)=NO2)=N1	REAL300012105384	0	36	0.0	-42.78	322.29	0.56	-42.22
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1=CC=C(C)C=C1	REAL300012105385	0	41	0.0	-37.69	344.41	4.60	-33.09
CCCS(=O)(=O)NC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105386	0	42	0.0	-42.46	366.69	0.71	-41.75
CCS(=O)(=O)NC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105387	0	39	0.0	-42.59	345.19	-0.08	-42.67
CC1=CC(C)=C2C(=C1)SC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=C2Cl	REAL300012105388	0	37	0.0	-34.25	332.95	5.28	-28.97
COC1=CC=C2C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC(=O)OC2=C1	REAL300012105389	0	40	0.0	-47.23	342.54	3.79	-43.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC=C2C(F)(F)F)=N1	REAL300012105390	0	34	0.0	-35.39	294.09	3.66	-31.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC(Br)=C2)=N1	REAL300012105391	0	31	0.0	-37.77	289.70	3.72	-34.05
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1I	REAL300012105392	0	31	0.0	-33.78	291.78	4.04	-29.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(C3=CC=CC(Cl)=C3)=C2)=N1	REAL300012105393	0	34	0.0	-37.11	318.75	3.93	-33.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(C3=CC=CC=C3Cl)=C2)=N1	REAL300012105394	0	34	0.0	-38.46	318.59	3.94	-34.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(C3=CC=CC=C3F)=C2)=N1	REAL300012105395	0	34	0.0	-39.27	310.11	3.55	-35.72
COC1=CC=C(C(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105396	0	40	0.0	-38.84	339.42	3.04	-35.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(F)C(C(F)(F)F)=C2)=N1	REAL300012105397	0	31	0.0	-36.16	290.75	3.47	-32.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Br)C=CS2)=N1	REAL300012105398	0	25	0.0	-34.26	254.97	1.92	-32.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(C3=CC=CC=C3Cl)=C2)=N1	REAL300012105399	0	35	0.0	-37.14	320.44	2.56	-34.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(C3=CC=C(F)C=C3)=C2)=N1	REAL300012105400	0	35	0.0	-38.63	311.58	2.30	-36.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(OC(F)(F)F)C=C2)=N1	REAL300012105401	0	35	0.0	-38.55	314.40	2.90	-35.65
CC(OC1=CC=CC=C1Cl)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105402	0	35	0.0	-37.39	310.83	3.05	-34.34
CC1=CC(Br)=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105403	0	31	0.0	-33.94	283.12	3.49	-30.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(C3=CC=CC(Cl)=C3)=C2)=N1	REAL300012105404	0	35	0.0	-38.26	321.91	2.74	-35.52
CC1=NC(C(F)(F)F)=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105405	0	33	0.0	-36.70	296.73	2.07	-34.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Br)C=C2Cl)=N1	REAL300012105406	0	28	0.0	-33.63	280.18	3.39	-30.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CC=CC=C3)C2)=N1	REAL300012105407	0	39	0.0	-44.61	323.45	3.35	-41.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2C3=CC=CC=C3OC3=CC=CC=C32)=N1	REAL300012105408	0	43	0.0	-37.37	352.83	6.55	-30.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=CC(C(F)(F)F)=N3)C=C2)=N1	REAL300012105409	0	38	0.0	-39.59	345.96	4.58	-35.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Br)C(F)=C2)=N1	REAL300012105410	0	28	0.0	-36.18	273.46	3.08	-33.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=CC(Br)=C2)=N1	REAL300012105411	0	28	0.0	-34.14	274.19	3.10	-31.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=CC(C(F)(F)F)=C3)=N2)=N1	REAL300012105412	0	37	0.0	-37.49	350.16	4.08	-33.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012105413	0	35	0.0	-39.25	315.59	2.93	-36.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC(OC(F)F)=C2)=N1	REAL300012105414	0	35	0.0	-40.22	307.67	2.69	-37.53
COC1=CC=C(Cl)C=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105415	0	36	0.0	-35.56	323.10	3.46	-32.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=CC=C2Br)=N1	REAL300012105416	0	34	0.0	-34.40	306.10	4.34	-30.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCOC2=CC=CC=C2C2=CC=CC=C2)=N1	REAL300012105417	0	45	0.0	-37.38	377.11	6.48	-30.90
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC=C2Br)=N1	REAL300012105418	0	31	0.0	-34.80	285.83	3.60	-31.20
CC1=NC2=CC(Cl)=CC=C2C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105419	0	36	0.0	-36.50	320.46	3.75	-32.75
CCN1C(=O)NC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C2C1=O	REAL300012105420	0	40	0.0	-40.89	342.29	1.95	-38.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(OCC3=CC=CN=C3)C=C2)=N1	REAL300012105421	0	45	0.0	-39.72	384.05	5.09	-34.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=C(Br)C=CC2=O)=N1	REAL300012105422	0	31	0.0	-43.74	293.50	2.04	-41.70
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(C)=C1OCC1=CC=CN=C1	REAL300012105423	0	47	0.0	-37.78	394.29	5.45	-32.33
CCOC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OCC1=CC=CN=C1	REAL300012105424	0	48	0.0	-39.67	403.58	4.75	-34.92
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C(C2=CC=CS2)O1	REAL300012105425	0	34	0.0	-39.30	315.06	0.50	-38.80
CC(NC(=O)C1=CC=C(Br)S1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105426	0	35	0.0	-37.16	337.60	1.31	-35.85
COC1=CC(C(C)=O)=CC=C1OCCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105427	0	47	0.0	-47.42	390.25	3.82	-43.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOC2=CC=C(Cl)C=C2)=N1	REAL300012105428	0	38	0.0	-38.73	336.60	4.01	-34.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOC2=CC=CC3=CC=CC=C32)=N1	REAL300012105429	0	44	0.0	-40.27	364.91	5.83	-34.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOC2=CC=C3NC(=O)CCC3=C2)=N1	REAL300012105430	0	46	0.0	-43.24	379.72	2.68	-40.56
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OCC(=O)NC(C)C	REAL300012105431	0	49	0.0	-45.78	407.75	2.67	-43.11
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OC1CCCC1	REAL300012105432	0	46	0.0	-36.19	370.17	4.52	-31.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CNC(=O)C3=CC=CS3)C=C2)=N1	REAL300012105433	0	42	0.0	-39.80	376.50	3.56	-36.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=CC3=CC=C([N+](=O)[O-])C=C32)=N1	REAL300012105434	0	36	0.0	-42.13	324.77	3.22	-38.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C(=O)COC3=CC=CC=C3)CC2)=N1	REAL300012105435	0	49	0.0	-45.06	395.53	5.10	-39.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C(=O)CCOC3=CC=CC=C3)CC2)=N1	REAL300012105436	0	52	0.0	-41.36	416.48	4.82	-36.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CNC(=O)CC2=CC=CC(F)=C2)=N1	REAL300012105437	0	38	0.0	-41.64	334.51	1.56	-40.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C(=O)CCOC3=CC=CC=C3)C2)=N1	REAL300012105438	0	52	0.0	-42.73	416.49	4.81	-37.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(NC(=O)C3CC4=CC=CC=C4O3)=C2)=N1	REAL300012105439	0	47	0.0	-44.62	397.82	5.24	-39.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3CCS(=O)(=O)C3)C2)=N1	REAL300012105440	0	42	0.0	-50.07	351.56	-1.22	-51.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CC=C4CCCC4=C3)C2)=N1	REAL300012105441	0	46	0.0	-43.93	369.48	5.27	-38.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(CC3=CC=CC(C(F)(F)F)=C3)C2)=N1	REAL300012105442	0	45	0.0	-44.34	391.93	4.97	-39.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C(=O)CC3=CC=CC=C3)C2)=N1	REAL300012105443	0	48	0.0	-41.41	386.58	5.17	-36.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C3=CC=CC(Br)=C3)C2=O)=N1	REAL300012105445	0	39	0.0	-43.18	344.56	3.96	-39.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C3=CC=CC=C3Br)C2=O)=N1	REAL300012105446	0	39	0.0	-40.14	352.11	4.54	-35.60
CC(C)OC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105447	0	42	0.0	-36.43	347.20	4.45	-31.98
CCCOC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105448	0	42	0.0	-36.25	350.80	4.62	-31.63
CS(=O)(=O)NC1=CC=CC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105449	0	39	0.0	-45.59	341.79	-0.16	-45.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3CCOCC3)C=C2)=N1	REAL300012105450	0	41	0.0	-35.52	330.31	1.25	-34.27
CC1=NN(C)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1Br	REAL300012105451	0	31	0.0	-36.35	286.61	1.39	-34.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=NC(C3=CC=CS3)=NO2)=N1	REAL300012105452	0	39	0.0	-43.91	353.20	2.32	-41.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Br)C=N2)=N1	REAL300012105453	0	27	0.0	-36.66	263.14	1.11	-35.55
CC1=CNC(=O)N1C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105454	0	39	0.0	-42.82	339.14	3.29	-39.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN3C=C(Br)C=NC3=N2)=N1	REAL300012105455	0	29	0.0	-40.08	285.65	3.11	-36.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=C(Cl)C(Cl)=C3)S2)=N1	REAL300012105456	0	35	0.0	-36.03	346.83	6.08	-29.95
CC1=C(C)C2=C(NC(CCC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NC2=O)S1	REAL300012105457	0	42	0.0	-47.84	362.38	2.36	-45.48
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=CC=CC=C3F)S2)=N1	REAL300012105458	0	34	0.0	-38.11	315.89	3.58	-34.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)OCC(F)(F)F)=N1	REAL300012105459	0	35	0.0	-41.87	321.57	-0.76	-42.63
CC1=NN(C2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)C=C1	REAL300012105460	0	38	0.0	-39.07	326.81	4.20	-34.87
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC2=CC=C(F)C=C12	REAL300012105461	0	34	0.0	-35.14	305.31	4.31	-30.83
COC1=CC=C(Cl)C=C1NCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105462	0	40	0.0	-37.94	348.64	1.97	-35.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CC(Cl)=CC(Cl)=C3)C2)=N1	REAL300012105463	0	39	0.0	-43.25	357.38	4.37	-38.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C3=CC=C(F)C=C3)C2=O)=N1	REAL300012105464	0	39	0.0	-41.47	330.33	3.40	-38.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C3=CC=C(Cl)C(Cl)=C3)C2=O)=N1	REAL300012105465	0	39	0.0	-47.79	355.17	4.29	-43.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C3=CC=C(Cl)C=C3)C2=O)=N1	REAL300012105466	0	39	0.0	-40.80	340.64	3.87	-36.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCNC(=O)C2=CC=C(F)C=C2)=N1	REAL300012105467	0	41	0.0	-41.59	352.88	2.41	-39.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)C2=CC=C(F)C=C2)=N1	REAL300012105468	0	38	0.0	-45.08	331.38	1.64	-43.44
CCCCCCOC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105469	0	50	0.0	-37.27	405.76	6.48	-30.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)=N1	REAL300012105470	0	45	0.0	-45.24	370.02	0.72	-44.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC(F)=C3)C=C2)=N1	REAL300012105471	0	35	0.0	-38.48	312.41	3.50	-34.98
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1N1CCNC1=O	REAL300012105472	0	41	0.0	-41.79	345.30	2.33	-39.46
CC1=CC=C(S(=O)(=O)N2CCCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2)C=C1	REAL300012105473	0	49	0.0	-40.41	404.87	2.88	-37.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OCC3CCCCC3)C=C2)=N1	REAL300012105474	0	48	0.0	-34.05	381.00	6.04	-28.01
CS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC([N+](=O)[O-])=C1	REAL300012105475	0	36	0.0	-45.90	335.35	0.62	-45.28
CC1=CC=C(OCC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)O2)C(C)=C1	REAL300012105476	0	45	0.0	-38.33	381.04	5.25	-33.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=C(Cl)C=C3Cl)N=C2)=N1	REAL300012105477	0	35	0.0	-38.45	339.82	4.84	-33.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3N=CC=C3C3=CC=CC=C3)=C2)=N1	REAL300012105478	0	45	0.0	-38.03	378.76	6.65	-31.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC=C3)=NC3=CC(F)=CC=C32)=N1	REAL300012105479	0	43	0.0	-37.16	366.03	6.30	-30.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OCC3=CC=CC(Cl)=C3)=C2)=N1	REAL300012105480	0	42	0.0	-36.34	374.47	6.21	-30.13
COC1=CC=C(N2C=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=N2)C=C1	REAL300012105481	0	39	0.0	-40.96	335.48	2.73	-38.23
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=C(C)C=CC(C)=C12	REAL300012105482	0	40	0.0	-37.53	329.97	4.49	-33.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCSC2=CC=C(Br)C=C2)=N1	REAL300012105483	0	35	0.0	-36.46	329.99	4.97	-31.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=CN=C3)C=C2)=N1	REAL300012105484	0	38	0.0	-37.04	330.02	3.48	-33.56
CCS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105485	0	37	0.0	-42.55	328.60	0.86	-41.69
CS(=O)(=O)C1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C2C=CC=CN21	REAL300012105486	0	37	0.0	-50.28	332.54	0.08	-50.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300012105487	0	41	0.0	-47.12	372.87	0.15	-46.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSCC2=CC=C(Cl)C=C2Cl)=N1	REAL300012105488	0	35	0.0	-38.54	343.89	5.40	-33.14
CC1=CC=C(C)C(OCCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105489	0	47	0.0	-37.47	382.85	5.69	-31.78
CN1N=C(Br)C2=C1N=CN(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2=O	REAL300012105490	0	36	0.0	-53.09	338.10	2.54	-50.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=CC(OC3CCCC3)=C2)=N1	REAL300012105491	0	48	0.0	-36.75	384.00	6.09	-30.66
CC(C)OC1=CC=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105492	0	42	0.0	-36.02	347.27	4.45	-31.57
CC(C)(C)C1=CC=C(CCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105493	0	49	0.0	-36.46	387.60	7.01	-29.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=CC=C3Cl)=N2)=N1	REAL300012105494	0	34	0.0	-39.53	323.83	3.98	-35.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CNC(=O)C3CCCC3)C=C2)=N1	REAL300012105495	0	48	0.0	-39.47	392.00	4.13	-35.34
CC(=O)NC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=C(F)C=CC=C1F	REAL300012105496	0	41	0.0	-41.29	356.37	2.76	-38.53
CC1=CC=CC=C1C1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CS1	REAL300012105497	0	37	0.0	-38.59	324.98	3.29	-35.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=NNC=N3)=N2)=N1	REAL300012105498	0	33	0.0	-46.98	309.78	1.00	-45.98
COC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1[N+](=O)[O-]	REAL300012105499	0	37	0.0	-45.59	323.93	3.85	-41.74
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C2OCCOC2=C1	REAL300012105500	0	40	0.0	-38.28	329.37	2.65	-35.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC=C2OCC(F)(F)F)=N1	REAL300012105501	0	39	0.0	-42.51	347.56	3.21	-39.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=CC=N3)C(F)=C2)=N1	REAL300012105502	0	35	0.0	-41.08	309.16	3.78	-37.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=C(OC(F)F)C=C3)S2)=N1	REAL300012105503	0	39	0.0	-37.89	354.13	4.66	-33.23
CC1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=C(Cl)C=CC=C1Cl	REAL300012105504	0	37	0.0	-39.84	349.44	4.77	-35.07
CC(OC1=CC=CC=C1CC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105505	0	48	0.0	-36.59	394.22	7.07	-29.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(I)C=C2Cl)=N1	REAL300012105506	0	28	0.0	-33.41	286.66	3.87	-29.54
CCOC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OCC(=O)OC	REAL300012105507	0	45	0.0	-43.06	383.34	4.02	-39.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(C2=CC=CC=C2)N2CCOC2=O)=N1	REAL300012105508	0	43	0.0	-47.97	353.77	3.93	-44.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(N3CCCC3=O)=CC(C(F)(F)F)=C2)=N1	REAL300012105509	0	42	0.0	-39.03	362.47	4.53	-34.50
CCCOC1=CN(C2=CC=CC=C2)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105510	0	45	0.0	-38.64	380.86	4.49	-34.15
CCCN(CCC)C(=O)CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105511	0	46	0.0	-36.94	370.65	3.82	-33.12
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=NNC=N2)=N1	REAL300012105512	0	33	0.0	-41.88	305.83	0.86	-41.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CN=CC=N3)=N2)=N1	REAL300012105513	0	32	0.0	-42.86	301.67	-0.65	-43.51
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=CC=C1Cl	REAL300012105514	0	37	0.0	-43.85	333.23	3.09	-40.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=CC3=CC=CC=C32)=N1	REAL300012105515	0	34	0.0	-34.87	308.88	5.10	-29.77
CCOC1=CC=CC=C1C(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)NC(C)=O	REAL300012105516	0	48	0.0	-37.02	388.43	2.22	-34.80
COCCOC1=CN(C2=CC=CC=C2)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105517	0	46	0.0	-40.74	392.99	2.96	-37.78
CCCN(CCC)C(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105518	0	50	0.0	-39.63	401.91	5.66	-33.97
CC(CC1=CC=C(Cl)C=C1Cl)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105519	0	37	0.0	-35.51	330.64	5.04	-30.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OCC(F)(F)C(F)F)N=C2)=N1	REAL300012105520	0	37	0.0	-39.39	339.64	1.49	-37.90
CCOC1=CN(C2=CC=CC=C2)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105521	0	42	0.0	-39.01	359.36	3.69	-35.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(C2=CC=CC=C2)C(F)(F)F)=N1	REAL300012105522	0	37	0.0	-36.69	316.65	4.36	-32.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=CC=C4OCOC4=C3)S2)=N1	REAL300012105523	0	37	0.0	-38.55	337.43	1.99	-36.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CSC3=NNC=N3)C=C2)=N1	REAL300012105524	0	38	0.0	-41.10	346.24	4.52	-36.58
CN(C(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1)C1=CC=CC=C1	REAL300012105525	0	45	0.0	-42.01	368.78	5.43	-36.58
CCCN(CC)C(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105526	0	47	0.0	-39.92	380.64	4.95	-34.97
CCN(CC)C(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105527	0	44	0.0	-39.66	357.41	4.17	-35.49
CCN(C)C(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105528	0	41	0.0	-40.92	340.45	3.27	-37.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(I)C(F)=C2)=N1	REAL300012105529	0	28	0.0	-35.90	279.77	3.56	-32.34
CC1=C(C2=CC=CC=C2)OC(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012105530	0	43	0.0	-39.04	366.51	2.99	-36.05
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1=CC=CC(Br)=C1	REAL300012105531	0	38	0.0	-39.15	344.31	4.54	-34.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC(Br)=C3)C=C2)=N1	REAL300012105532	0	35	0.0	-38.08	327.30	4.05	-34.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC(Br)=C3)N=C2)=N1	REAL300012105533	0	35	0.0	-36.88	327.22	4.21	-32.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(Cl)C=CC=C3S2)=N1	REAL300012105534	0	31	0.0	-34.84	299.97	4.26	-30.58
CN(C)S(=O)(=O)C1=CC=C(F)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105535	0	39	0.0	-39.87	345.70	0.80	-39.07
CC1CCCN(S(=O)(=O)C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C1	REAL300012105536	0	49	0.0	-40.36	403.89	3.03	-37.33
COC1=CC=C(S(=O)(=O)CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105537	0	41	0.0	-43.84	358.65	0.21	-43.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C3=CC=C(C(F)(F)F)C=N3)CC2)=N1	REAL300012105538	0	45	0.0	-37.61	375.87	3.88	-33.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNS(=O)(=O)C2=CC=C(F)C(F)=C2)=N1	REAL300012105539	0	39	0.0	-44.90	357.35	-0.40	-45.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(S(=O)(=O)NCC3CCCO3)C=C2)=N1	REAL300012105540	0	47	0.0	-41.33	400.99	-0.25	-41.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNS(=O)(=O)C2=CC=C3CCCCC3=C2)=N1	REAL300012105541	0	49	0.0	-43.76	407.37	1.96	-41.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC=C3)S2)=N1	REAL300012105542	0	35	0.0	-35.50	314.96	5.11	-30.39
CCOC(=O)N1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012105543	0	42	0.0	-39.87	340.67	2.20	-37.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=CC=C3CCCC3=C2)=N1	REAL300012105544	0	43	0.0	-37.92	355.67	5.63	-32.29
COC1=CC=C(Cl)C=C1N1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1=O	REAL300012105545	0	43	0.0	-42.70	377.59	3.52	-39.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CC=CC4=CC=CC=C43)C2)=N1	REAL300012105546	0	45	0.0	-43.53	376.65	6.26	-37.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3=CC=CC(F)=C3)=N2)=N1	REAL300012105547	0	37	0.0	-42.23	339.41	3.98	-38.25
COC1=CC=C(C(C)=O)C=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105548	0	40	0.0	-40.66	337.77	2.89	-37.77
CC(C)N1N=CC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C(C3CC3)N=C21	REAL300012105549	0	46	0.0	-37.00	380.93	5.02	-31.98
COC1=CC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2C=C1	REAL300012105550	0	38	0.0	-36.62	322.01	3.99	-32.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2OC3=CC=CC=C3NC2=O)=N1	REAL300012105551	0	37	0.0	-39.15	317.65	0.38	-38.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(N3C=CN=C3)C=C2)=N1	REAL300012105552	0	39	0.0	-41.02	333.84	5.96	-35.06
CC(C)(C)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1[N+](=O)[O-]	REAL300012105553	0	42	0.0	-38.08	335.00	4.98	-33.10
CC(=O)N1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=CC=CC=C21	REAL300012105554	0	40	0.0	-40.47	329.14	2.07	-38.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=O)C3=CC=C(Br)C=C3C2=O)=N1	REAL300012105555	0	35	0.0	-38.74	334.53	2.58	-36.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3SCCCS3)C=C2)=N1	REAL300012105556	0	40	0.0	-35.82	351.11	5.97	-29.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC=C3)=CS2)=N1	REAL300012105557	0	35	0.0	-35.05	312.75	4.88	-30.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCN2C(=O)C3=CC=CC=C3S2(=O)=O)=N1	REAL300012105558	0	39	0.0	-43.50	351.49	-0.20	-43.70
CS(=O)(=O)N1CCCC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C21	REAL300012105559	0	43	0.0	-41.71	356.43	1.73	-39.98
CC1=CC=CC(C2=NC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)=C1	REAL300012105560	0	40	0.0	-39.62	354.41	4.57	-35.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(F)C=C3S2)=N1	REAL300012105561	0	31	0.0	-36.18	290.50	3.87	-32.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)C3=CC4=C(C=C3S2)OCCO4)=N1	REAL300012105562	0	37	0.0	-35.92	341.53	3.30	-32.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2(CC(=O)NC3=NC=CS3)CCCCC2)=N1	REAL300012105563	0	50	0.0	-38.07	391.99	4.23	-33.84
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N1CCC(CC2=CC=CC=C2)CC1	REAL300012105564	0	52	0.0	-34.42	400.84	4.99	-29.43
CC(OC1=CC=CC=C1Br)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105565	0	35	0.0	-37.34	315.22	3.17	-34.17
CC1=NN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2F)C(C)=C1	REAL300012105566	0	41	0.0	-41.34	353.93	4.80	-36.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=O)CCC3=CC=CC=C32)=N1	REAL300012105567	0	39	0.0	-37.30	321.06	3.92	-33.38
CS(=O)(=O)NC1=CC=CC=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105568	0	39	0.0	-42.31	337.88	-0.12	-42.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=C(Cl)C=N3)C=C2)=N1	REAL300012105569	0	38	0.0	-35.79	349.76	3.27	-32.52
CC1(C)CCC(C)(C)C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C21	REAL300012105570	0	50	0.0	-33.03	376.04	6.59	-26.44
CC1=CC=CC=C1N1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012105571	0	38	0.0	-37.61	321.55	4.53	-33.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=C(F)C=C3F)C=C2)=N1	REAL300012105572	0	39	0.0	-36.72	347.85	5.40	-31.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=C(F)C(F)=C3)C=C2)=N1	REAL300012105573	0	39	0.0	-37.17	349.53	5.46	-31.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC=C3)=CC=C2Cl)=N1	REAL300012105574	0	38	0.0	-35.65	332.99	7.00	-28.65
CN1C=C(C2=NC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)C=N1	REAL300012105575	0	34	0.0	-38.38	316.25	1.12	-37.26
CCOC1=NC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Cl	REAL300012105576	0	34	0.0	-35.35	311.52	0.64	-34.71
CCC1=CC=C(C2=NC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=C1	REAL300012105577	0	43	0.0	-39.30	375.88	5.35	-33.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2Br)=N1	REAL300012105578	0	28	0.0	-35.39	262.54	3.83	-31.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=COC(C3=CC=C(F)C=C3)=N2)=N1	REAL300012105579	0	37	0.0	-41.76	331.42	1.60	-40.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(Cl)C=C2Br)=N1	REAL300012105580	0	31	0.0	-37.63	300.79	4.49	-33.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(COC3=CC=CC(F)=C3)=C2)=N1	REAL300012105581	0	42	0.0	-37.34	364.18	5.76	-31.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=NC=C3)C(Cl)=C2)=N1	REAL300012105582	0	38	0.0	-36.49	346.94	4.08	-32.41
CC1=CC=C(OCC2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)C=N1	REAL300012105583	0	44	0.0	-37.77	374.25	4.52	-33.25
CCC1=NC(COC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)=NO1	REAL300012105584	0	43	0.0	-39.09	370.74	1.99	-37.10
CC1=C(C)N(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(=O)S1	REAL300012105585	0	37	0.0	-39.70	320.62	2.31	-37.39
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=CN(C)N=C2)=N1	REAL300012105586	0	37	0.0	-38.21	333.70	1.57	-36.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(I)=CN2)=N1	REAL300012105587	0	26	0.0	-35.94	260.09	1.21	-34.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(Cl)=C3)CCOCC2)=N1	REAL300012105588	0	42	0.0	-36.61	343.73	3.97	-32.64
COC1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCOCC2)C=C1	REAL300012105589	0	46	0.0	-37.16	356.48	2.76	-34.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCCCNC(=O)NC2CCCCC2)=N1	REAL300012105590	0	55	0.0	-41.80	432.39	3.00	-38.80
CC(C)N1C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2N=C1C(F)(F)F	REAL300012105591	0	43	0.0	-37.35	367.54	5.03	-32.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CSC(Br)=C2)=N1	REAL300012105592	0	29	0.0	-35.17	290.43	3.30	-31.87
CC(=O)C1=CC=C(S(=O)(=O)CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1F	REAL300012105593	0	39	0.0	-53.20	354.97	0.69	-52.51
CC1=CC=C(C)C(S(=O)(=O)C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCC2)=C1	REAL300012105594	0	50	0.0	-39.35	396.19	4.40	-34.95
NC(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1	REAL300012105595	0	39	0.0	-42.82	338.13	0.10	-42.72
CN(C)S(=O)(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105596	0	39	0.0	-40.47	342.05	0.42	-40.05
COC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012105597	0	40	0.0	-39.35	336.66	2.81	-36.54
CCN(CC)S(=O)(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105598	0	45	0.0	-40.22	383.20	2.13	-38.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC(Br)=C2)=N1	REAL300012105599	0	32	0.0	-39.30	298.18	2.56	-36.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(S(=O)(=O)N3CCOCC3)=C2)=N1	REAL300012105600	0	44	0.0	-40.58	374.83	-0.01	-40.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2I)=N1	REAL300012105601	0	28	0.0	-34.91	267.94	4.45	-30.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(S(=O)(=O)N3CCCCC3)=C2)=N1	REAL300012105603	0	46	0.0	-39.67	383.58	2.41	-37.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OC3=CC=CC=C3)=C2)=N1	REAL300012105604	0	39	0.0	-35.75	335.20	5.26	-30.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=C(Cl)C=C3)=NC3=CC=CC=C32)=N1	REAL300012105605	0	43	0.0	-37.01	376.37	6.76	-30.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(S(=O)(=O)NC3=CC=CC=C3)C=C2)=N1	REAL300012105606	0	43	0.0	-41.02	381.72	2.24	-38.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2=CC(Cl)=CC=C2Cl)=N1	REAL300012105607	0	32	0.0	-37.29	318.94	4.52	-32.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2=CC=CC3=CC=CC(Cl)=C32)=N1	REAL300012105608	0	38	0.0	-38.59	341.04	6.02	-32.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300012105609	0	41	0.0	-38.00	342.63	6.53	-31.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(I)=C2)=N1	REAL300012105610	0	28	0.0	-33.88	274.26	3.51	-30.37
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OC)=C1OC	REAL300012105611	0	40	0.0	-38.14	338.29	1.56	-36.58
COC1=CC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OC)=C1OC	REAL300012105612	0	43	0.0	-43.61	360.32	2.23	-41.38
CCCCCOC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105613	0	44	0.0	-34.21	362.26	5.01	-29.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(Br)=C2)=N1	REAL300012105614	0	27	0.0	-34.67	262.80	1.24	-33.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C([N+](=O)[O-])C=C2Cl)=N1	REAL300012105615	0	30	0.0	-37.08	287.06	3.45	-33.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300012105616	0	31	0.0	-38.41	300.33	4.08	-34.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=CC=C(Cl)C=C2)=N1	REAL300012105617	0	36	0.0	-37.74	326.85	4.25	-33.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=CC=C2Cl)=N1	REAL300012105618	0	28	0.0	-34.04	280.18	3.39	-30.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(Cl)C=C2Cl)=N1	REAL300012105619	0	31	0.0	-37.75	297.68	4.26	-33.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300012105620	0	35	0.0	-36.91	316.72	4.60	-32.31
CSC1=CC=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105621	0	32	0.0	-34.92	299.00	4.60	-30.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=C(Cl)C=CC=C2Cl)=N1	REAL300012105622	0	31	0.0	-34.37	296.52	3.96	-30.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300012105623	0	34	0.0	-39.27	307.47	4.13	-35.14
COC1=CC(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OC)=C1OC	REAL300012105624	0	46	0.0	-41.85	381.81	3.02	-38.83
COC(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC([N+](=O)[O-])=C1	REAL300012105625	0	36	0.0	-39.20	329.41	3.74	-35.46
CC1=CC(Cl)=CC=C1OCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105626	0	35	0.0	-38.07	313.68	3.20	-34.87
COC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OC)=C1OC	REAL300012105627	0	44	0.0	-41.50	369.83	2.74	-38.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2=CC3=CC=CC=C3C=C2)=N1	REAL300012105628	0	38	0.0	-38.73	333.29	5.82	-32.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)=N1	REAL300012105629	0	34	0.0	-35.61	324.24	4.43	-31.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC(F)(F)F)C=C2)=N1	REAL300012105630	0	32	0.0	-34.88	292.40	2.22	-32.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(S(=O)(=O)N3CCCCCC3)=C2)=N1	REAL300012105631	0	49	0.0	-40.60	397.89	3.33	-37.27
CC1=NN(C2=CC=CC=C2)C2=C1C=C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)S2	REAL300012105632	0	41	0.0	-39.15	366.23	5.48	-33.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(S(=O)(=O)N3CCCC3)C=C2)=N1	REAL300012105633	0	43	0.0	-40.65	368.36	1.56	-39.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC3=CC(Br)=CC=C32)=N1	REAL300012105634	0	35	0.0	-35.94	313.01	4.76	-31.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=CC(Cl)=C3S2)=N1	REAL300012105635	0	31	0.0	-37.01	300.43	4.29	-32.72
CSC1=CC=C(CCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105636	0	41	0.0	-38.39	351.62	5.71	-32.68
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=C(F)C(F)=C1	REAL300012105637	0	37	0.0	-44.32	330.78	2.57	-41.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC(F)=CC(F)=C3)C3=C2CCC3)=N1	REAL300012105638	0	42	0.0	-38.01	366.03	5.39	-32.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(Cl)C=C3F)C3=C2CCC3)=N1	REAL300012105639	0	42	0.0	-42.10	369.88	5.85	-36.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC(Cl)=CC=C3F)C3=C2CCC3)=N1	REAL300012105640	0	42	0.0	-40.57	369.88	5.85	-34.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(Br)C=NC=C3S2)=N1	REAL300012105641	0	30	0.0	-35.15	299.29	2.59	-32.56
CC1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC2)C=C1	REAL300012105642	0	41	0.0	-34.74	328.09	5.83	-28.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC=C3F)CCC2)=N1	REAL300012105643	0	38	0.0	-36.14	309.74	5.65	-30.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=CC3=CC=C(F)C=C32)=N1	REAL300012105644	0	35	0.0	-39.60	307.63	4.44	-35.16
CC1=NC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C(Cl)C=C2C=C1	REAL300012105645	0	36	0.0	-36.85	323.80	4.17	-32.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(Cl)C(F)=C3)C3=C2CCC3)=N1	REAL300012105646	0	42	0.0	-40.30	375.80	5.83	-34.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C3OCCCC3=C2)=N1	REAL300012105647	0	39	0.0	-38.08	322.11	3.74	-34.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=NN=C2C2=CSC=C2)=N1	REAL300012105648	0	33	0.0	-44.79	299.40	0.81	-43.98
CCCC1=CC=C(CCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105649	0	46	0.0	-36.57	375.79	6.90	-29.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC=C3)N=C2)=N1	REAL300012105650	0	37	0.0	-37.64	318.25	4.28	-33.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC(CC(F)(F)F)=C2)=N1	REAL300012105651	0	37	0.0	-37.24	329.37	4.88	-32.36
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1N1CCOCC1	REAL300012105652	0	44	0.0	-34.67	354.06	2.63	-32.04
CS(=O)(=O)N1CCC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012105653	0	42	0.0	-45.18	344.67	-0.04	-45.22
COC1=CC=C2CCCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=C1	REAL300012105654	0	42	0.0	-34.96	336.52	3.86	-31.10
COC1=CN2N=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2C=C1	REAL300012105655	0	35	0.0	-37.65	302.76	1.36	-36.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(Br)C=C3)N=C2)=N1	REAL300012105656	0	34	0.0	-37.95	323.84	2.64	-35.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C3OC(F)(F)OC3=C2)=N1	REAL300012105657	0	35	0.0	-39.79	317.61	2.68	-37.11
CN(C)C1=NC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Cl	REAL300012105658	0	35	0.0	-35.05	314.62	1.65	-33.40
CC(C)OC1=CC=CC=C1C(F)(F)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105659	0	41	0.0	-36.18	343.80	4.00	-32.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COCCC2=CC=CC(F)=C2)=N1	REAL300012105660	0	38	0.0	-38.39	330.34	3.25	-35.14
CC(COCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1	REAL300012105661	0	41	0.0	-36.99	340.75	3.73	-33.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCOC3=CC=C(Br)C=C32)=N1	REAL300012105662	0	36	0.0	-34.87	319.42	3.34	-31.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=C3CCCCN3C2=O)=N1	REAL300012105663	0	38	0.0	-41.11	318.53	2.26	-38.85
CNC(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Cl)=C1	REAL300012105664	0	37	0.0	-40.85	330.02	0.28	-40.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=CC3=CC=NC=C32)=N1	REAL300012105665	0	33	0.0	-36.32	289.11	2.76	-33.56
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)NC(=O)C2=CC=CC=C12	REAL300012105666	0	37	0.0	-42.05	313.28	1.84	-40.21
CC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N1CCC2=CC=CC=C21	REAL300012105667	0	43	0.0	-36.25	336.28	3.00	-33.25
CCN1C(=O)NC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C21	REAL300012105668	0	38	0.0	-40.93	326.29	2.24	-38.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=CC=CC=C3Cl)N=C2)=N1	REAL300012105669	0	36	0.0	-37.90	327.93	4.68	-33.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC3=C2OCCCO3)=N1	REAL300012105670	0	37	0.0	-36.04	307.16	3.00	-33.04
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105671	0	43	0.0	-45.36	376.61	6.10	-39.26
CC1=NN=NN1C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105672	0	36	0.0	-42.77	313.81	2.45	-40.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=CC=C3CCCCC3=C2)=N1	REAL300012105673	0	47	0.0	-36.84	374.11	7.17	-29.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C(=O)NC3=C(F)C=CC=C3F)CC2)=N1	REAL300012105674	0	39	0.0	-41.79	345.85	3.81	-37.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC=C3)CNC(=O)C2)=N1	REAL300012105675	0	39	0.0	-39.53	320.15	1.10	-38.43
CC1=NN(CC2CC2)C(C)=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105676	0	44	0.0	-38.74	363.78	4.32	-34.42
COC1=CC=C2C(=C1)C1=C(CCCC1)N2CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105677	0	49	0.0	-42.49	391.78	5.97	-36.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(CC2CCCO2)C(F)(F)F)=N1	REAL300012105678	0	38	0.0	-35.32	321.03	2.11	-33.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NSC=C2Br)=N1	REAL300012105679	0	24	0.0	-36.47	248.31	0.28	-36.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3C=CNC3=O)=C2)=N1	REAL300012105680	0	36	0.0	-42.85	309.73	2.57	-40.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3C=CNC3=O)C=C2)=N1	REAL300012105681	0	36	0.0	-44.60	309.61	2.57	-42.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3C=CC(Cl)=CN3C=N2)=N1	REAL300012105682	0	31	0.0	-39.34	289.56	4.12	-35.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=C(F)C=CC=C3F)S2)=N1	REAL300012105683	0	34	0.0	-38.09	319.58	3.56	-34.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2C3CC4CC(C3)CC2C4)=N1	REAL300012105684	0	45	0.0	-34.78	323.80	5.01	-29.77
CC(C)OC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Br	REAL300012105685	0	38	0.0	-35.21	336.14	3.94	-31.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=CC=CC(Cl)=C3)S2)=N1	REAL300012105686	0	34	0.0	-35.60	328.12	3.83	-31.77
COC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1Br	REAL300012105687	0	35	0.0	-34.55	317.95	2.75	-31.80
CC1=CC=C(C2=NC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)C=C1C	REAL300012105688	0	40	0.0	-35.76	349.76	4.53	-31.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C3OC(F)(F)OC3=C2)=N1	REAL300012105689	0	37	0.0	-39.92	329.51	3.00	-36.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C(F)F)N(C3=CC=CC=C3)N=N2)=N1	REAL300012105690	0	37	0.0	-40.23	322.86	2.40	-37.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC3(CC3(F)F)CC2)=N1	REAL300012105691	0	38	0.0	-36.63	314.50	4.06	-32.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(F)F)C=C2F)=N1	REAL300012105692	0	31	0.0	-37.54	285.14	3.36	-34.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2OCC3=CC(Cl)=CC=C32)=N1	REAL300012105693	0	36	0.0	-36.76	320.34	3.04	-33.72
CC1=C(C2=CC=CC=C2)SC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105694	0	38	0.0	-34.83	336.14	5.73	-29.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=C(Cl)C=CC=C2Cl)=N1	REAL300012105695	0	34	0.0	-34.63	318.01	4.75	-29.88
CC1=NN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C(C2=CC=CC=C2)=C1	REAL300012105696	0	48	0.0	-38.66	400.64	7.24	-31.42
CCC1=C(C2=CC=CC=C2)SC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105697	0	41	0.0	-34.74	356.44	6.44	-28.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=C(F)C=CC=C2F)=N1	REAL300012105698	0	37	0.0	-36.36	322.02	4.74	-31.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC=C2C(F)(F)F)=N1	REAL300012105699	0	30	0.0	-36.05	271.88	1.34	-34.71
CC1=CC=CC=C1N1N=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1C(F)F	REAL300012105700	0	41	0.0	-37.61	352.24	4.92	-32.69
CC1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCOCC2)C=C1C	REAL300012105701	0	48	0.0	-34.52	365.45	4.67	-29.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(C(F)(F)F)C=C3)CCC2)=N1	REAL300012105702	0	41	0.0	-36.74	345.42	6.16	-30.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(OC(F)(F)F)=C3)CCC2)=N1	REAL300012105703	0	42	0.0	-35.68	357.84	4.45	-31.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCCC2N2C=CC=N2)=N1	REAL300012105704	0	41	0.0	-38.13	329.79	3.32	-34.81
CC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N1C=C(Br)C=N1	REAL300012105705	0	34	0.0	-36.87	308.70	2.29	-34.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC3=CC(Cl)=CN=C23)=N1	REAL300012105706	0	30	0.0	-35.92	295.01	2.40	-33.52
CN1N=C2C=C(Br)C=CC2=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105707	0	34	0.0	-36.55	312.78	3.54	-33.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC=N3)N=C2)=N1	REAL300012105708	0	36	0.0	-37.44	315.73	2.78	-34.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(OC(F)(F)F)=C3)CC2)=N1	REAL300012105709	0	39	0.0	-38.23	336.24	4.81	-33.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=C(F)C=C3)N=C2)=N1	REAL300012105710	0	35	0.0	-38.73	312.34	3.66	-35.07
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300012105711	0	41	0.0	-41.52	363.89	4.86	-36.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(N3C=NN=N3)CCCCC2)=N1	REAL300012105712	0	39	0.0	-43.35	311.66	2.30	-41.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC=C3Cl)CCC2)=N1	REAL300012105713	0	38	0.0	-35.55	322.77	4.91	-30.64
CC1=CC=CC(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N2C)=C1	REAL300012105714	0	42	0.0	-35.56	344.49	5.54	-30.02
COC(=O)C1=CC=C2CCCC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=C1	REAL300012105715	0	47	0.0	-37.34	379.76	5.96	-31.38
CC(C)(C)N1N=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1Br	REAL300012105716	0	37	0.0	-34.85	320.87	2.31	-32.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC3=C2OC(F)(F)O3)=N1	REAL300012105717	0	31	0.0	-37.35	285.53	1.59	-35.76
CN(C)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(C(F)(F)F)=C1	REAL300012105718	0	39	0.0	-35.69	337.67	3.82	-31.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(SC(F)(F)F)=C2)=N1	REAL300012105719	0	32	0.0	-34.36	302.85	3.88	-30.48
COC1=CC=CC=C1CN1C=NC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C21	REAL300012105720	0	48	0.0	-39.04	403.92	6.97	-32.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC23CCCCC2C3(F)F)=N1	REAL300012105721	0	38	0.0	-36.59	304.97	3.92	-32.67
CC1=CC(Br)=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1C	REAL300012105722	0	34	0.0	-34.58	300.12	4.02	-30.56
COC1=CC=C([C@@H]2C[C@H]2CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105723	0	42	0.0	-38.07	347.00	4.52	-33.55
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=CC(Br)=C1F	REAL300012105724	0	31	0.0	-34.69	287.71	3.52	-31.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=NC(Cl)=CC=C3S2)=N1	REAL300012105725	0	30	0.0	-36.71	295.82	2.35	-34.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(F)C3=CC=NC=C23)=N1	REAL300012105726	0	33	0.0	-36.15	288.38	2.74	-33.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)N=C3C=C(Cl)C=CN32)=N1	REAL300012105727	0	31	0.0	-38.24	303.85	3.91	-34.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CSC=C2Br)=N1	REAL300012105728	0	31	0.0	-35.30	299.28	3.38	-31.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=CC(N3CCCC3)=C2)=N1	REAL300012105729	0	40	0.0	-33.55	345.59	3.53	-30.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(N2C=CC=N2)C(F)(F)F)=N1	REAL300012105730	0	34	0.0	-38.01	299.17	1.60	-36.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(S(=O)(=O)C(F)(F)F)=C2)=N1	REAL300012105731	0	34	0.0	-38.81	326.93	0.55	-38.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)N=C3C=CSC3=C2)=N1	REAL300012105732	0	30	0.0	-37.54	290.65	2.96	-34.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC(=O)N(C3=CC=CC(F)=C3)C2)=N1	REAL300012105733	0	42	0.0	-42.46	354.92	4.14	-38.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=NN2C2=CC=CC=C2)=N1	REAL300012105734	0	34	0.0	-38.45	296.66	1.90	-36.55
CC(C)C1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCCC2)C=C1	REAL300012105735	0	53	0.0	-33.35	395.33	7.74	-25.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2COCC2C2=CC=CC=C2)=N1	REAL300012105736	0	39	0.0	-35.22	311.55	2.45	-32.77
CC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OC(F)(F)F	REAL300012105737	0	39	0.0	-36.84	343.98	4.13	-32.71
CC(C)N(C)S(=O)(=O)C1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105738	0	49	0.0	-42.65	411.93	2.98	-39.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3C(Cl)=CC=CN3N=C2)=N1	REAL300012105739	0	31	0.0	-38.97	282.53	2.36	-36.61
CC1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1(Br)Br	REAL300012105740	0	28	0.0	-34.82	275.42	2.57	-32.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CNN=C2C2CCOCC2)=N1	REAL300012105741	0	39	0.0	-37.68	319.59	0.14	-37.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=C(F)C=C3)=NO2)=N1	REAL300012105742	0	34	0.0	-39.33	308.39	3.49	-35.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(Br)C=C2F)=N1	REAL300012105743	0	31	0.0	-38.72	295.26	3.78	-34.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC(Br)=C3)=NO2)=N1	REAL300012105744	0	34	0.0	-37.41	323.28	4.04	-33.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=C(Br)C=C3)=NO2)=N1	REAL300012105745	0	34	0.0	-38.76	323.28	4.05	-34.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC(Cl)=CC=C3S2)=N1	REAL300012105746	0	31	0.0	-34.87	300.78	4.31	-30.56
COC1=CC=C([C@@H]2C[C@H]2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105747	0	39	0.0	-37.66	325.53	3.76	-33.90
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C(=O)C3=CC=CO3)=C2)=N1	REAL300012105748	0	37	0.0	-38.43	325.71	4.05	-34.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(C3CCCCC3)C=C2)=N1	REAL300012105749	0	47	0.0	-35.43	370.25	6.92	-28.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C(F)(F)F)CCCCC2)=N1	REAL300012105750	0	37	0.0	-35.17	298.78	3.18	-31.99
CC(C)(OC1=CC=C(Br)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105751	0	38	0.0	-34.49	328.14	3.25	-31.24
CC1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)NC2=CC=C1Br	REAL300012105752	0	35	0.0	-35.40	317.41	3.36	-32.04
COC1=CC=CC=C1C(F)(F)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105753	0	35	0.0	-36.49	304.02	2.43	-34.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=COC(C3=CC=CN=C3)=N2)=N1	REAL300012105754	0	33	0.0	-41.53	298.71	-1.00	-42.53
CN1C(=O)C(C)(C)C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C21	REAL300012105755	0	42	0.0	-38.98	351.00	3.93	-35.05
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1C(F)(F)F	REAL300012105756	0	35	0.0	-37.00	313.37	2.81	-34.19
CN(C)C(=O)C1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012105757	0	44	0.0	-41.90	341.47	2.43	-39.47
CC1=C(Br)C=NC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105758	0	30	0.0	-34.58	275.40	1.62	-32.96
CC(C)[C@@H](C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N1CC2=CC=CC=C2C1=O	REAL300012105759	0	45	0.0	-39.34	361.25	4.28	-35.06
COC1=CC=C(OC(C)(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105760	0	42	0.0	-37.65	336.09	1.92	-35.73
CC(C)CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(Cl)C=C1	REAL300012105761	0	43	0.0	-35.13	360.84	5.96	-29.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3NC(=O)N(CC(F)(F)F)C3=C2)=N1	REAL300012105762	0	38	0.0	-42.13	345.08	2.63	-39.50
CC(C)N1C(=O)NC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C21	REAL300012105763	0	41	0.0	-40.64	341.06	2.68	-37.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=C(Cl)C=CC=C2Br)=N1	REAL300012105764	0	31	0.0	-34.29	300.54	4.04	-30.25
COC1=CC=CC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1Cl	REAL300012105765	0	35	0.0	-36.90	311.44	2.88	-34.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(CC2COCCO2)C(F)(F)F)=N1	REAL300012105766	0	39	0.0	-35.89	329.95	1.04	-34.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(N3C=CN=N3)=CC=C2F)=N1	REAL300012105767	0	34	0.0	-43.30	303.32	2.67	-40.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(NC(=O)C(F)(F)F)C=C2)=N1	REAL300012105768	0	38	0.0	-42.15	343.94	2.41	-39.74
CNC1=CC=C(C(F)(F)F)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105769	0	36	0.0	-36.19	314.56	2.38	-33.81
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(C=CC4=C3C=CC=C4)O2)=N1	REAL300012105770	0	37	0.0	-37.71	321.16	5.03	-32.68
CC1=C(S(C)(=O)=O)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012105771	0	34	0.0	-44.69	308.61	-1.30	-45.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2C3CC4=C(Cl)C=CC=C4C32)=N1	REAL300012105772	0	36	0.0	-37.09	311.60	5.10	-31.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CC=CC(Cl)=C2Cl)=N1	REAL300012105773	0	35	0.0	-39.47	325.48	5.34	-34.13
CC1=CC=C2OC=C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=C1	REAL300012105774	0	37	0.0	-38.95	317.72	4.15	-34.80
CCCC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC(Cl)=C1	REAL300012105775	0	40	0.0	-34.96	343.24	5.46	-29.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CSN=N3)C=C2)=N1	REAL300012105776	0	33	0.0	-38.92	303.40	2.47	-36.45
CCSC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Br)=C1	REAL300012105777	0	38	0.0	-36.02	347.48	5.46	-30.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC3=CC=CC=C3CC2)=N1	REAL300012105778	0	41	0.0	-35.02	323.97	5.19	-29.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC(Br)=CC=C3S2)=N1	REAL300012105779	0	31	0.0	-34.84	305.34	4.41	-30.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CSC(Br)=C2)=N1	REAL300012105780	0	32	0.0	-36.66	308.44	4.16	-32.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C3=CC=CC=C3SC3=CC=CC=C32)=N1	REAL300012105781	0	42	0.0	-38.06	351.96	6.94	-31.12
CS(=O)(=O)N1CCC[C@H](C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1	REAL300012105782	0	39	0.0	-43.04	325.37	-0.96	-44.00
COC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC(F)F	REAL300012105783	0	39	0.0	-40.33	336.92	2.60	-37.73
CC1=CC=CC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1Br	REAL300012105784	0	34	0.0	-34.82	303.95	4.16	-30.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3CC3(F)F)C=C2)=N1	REAL300012105785	0	36	0.0	-38.05	320.37	3.59	-34.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC(F)(F)F)C(Cl)=C2)=N1	REAL300012105786	0	32	0.0	-35.37	308.41	2.76	-32.61
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Br	REAL300012105787	0	32	0.0	-35.64	296.35	2.39	-33.25
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1OC(F)(F)F	REAL300012105788	0	35	0.0	-34.62	312.45	2.96	-31.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2COC3=CC(F)=CC=C3C2)=N1	REAL300012105789	0	36	0.0	-37.33	306.45	2.95	-34.38
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C(S(C)(=O)=O)O1	REAL300012105790	0	34	0.0	-43.73	310.03	-1.33	-45.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C(F)(F)F)=C2)=N1	REAL300012105791	0	28	0.0	-34.63	277.53	2.50	-32.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(=O)N3CCOCC3)C=C2)=N1	REAL300012105792	0	43	0.0	-40.30	352.44	1.91	-38.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=CN=N3)C=C2)=N1	REAL300012105793	0	37	0.0	-42.04	324.12	2.86	-39.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2CC[C@@H](C3=CC=CC=C3)C2)=N1	REAL300012105794	0	41	0.0	-35.11	329.19	5.39	-29.72
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1CCOCC1	REAL300012105795	0	42	0.0	-39.69	344.39	1.57	-38.12
CN1C=C(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=O)C=N1	REAL300012105796	0	39	0.0	-43.50	329.81	1.16	-42.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(C3=CC=C(F)C(F)=C3)C2)=N1	REAL300012105797	0	39	0.0	-42.72	335.81	3.46	-39.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)=N1	REAL300012105798	0	37	0.0	-45.11	299.40	0.98	-44.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CN3C=C(C(F)(F)F)N=C23)=N1	REAL300012105799	0	34	0.0	-43.48	314.70	4.09	-39.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC3=CC(=O)NC=C32)=N1	REAL300012105801	0	34	0.0	-43.25	293.00	1.46	-41.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(SC(F)(F)F)N=C2)=N1	REAL300012105802	0	31	0.0	-37.96	301.37	2.67	-35.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC(N3CCOCC3)=N2)=N1	REAL300012105803	0	39	0.0	-39.99	325.28	0.68	-39.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=C(F)C(Cl)=C3)=N2)=N1	REAL300012105804	0	34	0.0	-40.32	334.02	3.65	-36.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(C(=O)C3=CC=CC=C3)C2)=N1	REAL300012105805	0	42	0.0	-42.12	342.14	3.22	-38.90
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(SCC2=CC=CC=C2)=N1	REAL300012105806	0	41	0.0	-35.04	374.12	5.11	-29.93
CC1=NC(C2=CC=CS2)=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012105807	0	37	0.0	-37.76	334.92	3.30	-34.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(F)N(C3=CC=CC=C3)N=C2)=N1	REAL300012105808	0	35	0.0	-35.86	313.15	3.51	-32.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)C3=CC=CN=C3S2)=N1	REAL300012105809	0	30	0.0	-36.76	292.64	2.31	-34.45
N[C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=NC=C2)=N1	REAL300012105810	1	52	0.0	-79.68	416.64	6.76	-72.92
N[C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=NC=C2)=N1	REAL300012105810	1	52	0.0	-87.74	421.74	6.63	-81.11
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=NC([C@@H](N)CC(=O)[O-])=NO1	REAL300012105811	1	55	0.0	-82.05	427.65	7.49	-74.56
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=NC([C@@H](N)CC(=O)[O-])=NO1	REAL300012105811	1	55	0.0	-77.87	423.91	7.59	-70.28
N[C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC=N2)=N1	REAL300012105812	1	52	0.0	-88.86	419.06	6.46	-82.40
N[C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC=N2)=N1	REAL300012105812	1	52	0.0	-77.97	418.83	6.53	-71.44
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=NC([C@@H](N)CC(=O)[O-])=NO1	REAL300012105813	1	52	0.0	-76.40	408.32	6.98	-69.42
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=NC([C@@H](N)CC(=O)[O-])=NO1	REAL300012105813	1	52	0.0	-75.43	408.04	6.96	-68.47
N[C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2CCCC2)=N1	REAL300012105814	1	56	0.0	-78.39	431.24	8.05	-70.34
N[C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C2CCCC2)=N1	REAL300012105814	1	56	0.0	-79.53	426.99	7.96	-71.57
N[C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CS2)=N1	REAL300012105815	1	50	0.0	-79.36	418.24	7.58	-71.78
N[C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CS2)=N1	REAL300012105815	1	50	0.0	-78.05	418.83	7.61	-70.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(F)(F)C2=CC=C(Br)C=C2)=N1	REAL300012105816	0	31	0.0	-34.57	299.78	3.85	-30.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=CC3=CC=CC=C32)=N1	REAL300012105817	0	34	0.0	-34.83	304.32	4.99	-29.84
CC1=CC=C(C2=NN(C)C=C2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012105818	0	38	0.0	-39.30	331.22	3.33	-35.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC=C3)CCCCCC2)=N1	REAL300012105819	0	47	0.0	-34.51	342.69	6.32	-28.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2CC3=CC=CC=C3O[C@H]2C(F)(F)F)=N1	REAL300012105820	0	39	0.0	-38.49	335.25	3.74	-34.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C(F)(F)F)SC=C2)=N1	REAL300012105821	0	28	0.0	-36.30	273.42	2.28	-34.02
CC1=NN(C2CCOCC2)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105822	0	42	0.0	-36.84	342.73	1.48	-35.36
CC(C)(C)C(NC(=O)OCC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105823	0	51	0.0	-36.39	407.94	3.63	-32.76
CC(=O)NC(C)(C)C(=O)NC(C)(C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105824	0	47	0.0	-40.66	370.89	-1.06	-41.72
CC1=CC=NC(NC2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=N1	REAL300012105825	0	41	0.0	-37.77	350.01	5.59	-32.18
CCC1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCC(F)(F)CC1	REAL300012105826	0	40	0.0	-35.68	307.61	4.18	-31.50
CO[C@@H]1C[C@H](C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N(C(=O)OCC2=CC=CC=C2)C1	REAL300012105827	0	50	0.0	-37.53	418.04	3.48	-34.05
CN1N=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1Cl	REAL300012105828	0	28	0.0	-35.90	279.61	1.13	-34.77
CO[C@@H]1C[C@@H](C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N(C(=O)OCC2=CC=CC=C2)C1	REAL300012105829	0	50	0.0	-40.51	417.80	3.46	-37.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3CCCC3)CCNC2=O)=N1	REAL300012105830	0	42	0.0	-41.34	322.50	0.28	-41.06
CCOC1=CC=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105831	0	39	0.0	-36.15	329.35	3.83	-32.32
CN1N=CC(C(F)(F)F)=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105832	0	31	0.0	-35.79	282.67	1.38	-34.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2OCCO[C@@H]2C2=CC=CC=C2)=N1	REAL300012105833	0	40	0.0	-36.07	323.28	1.93	-34.14
CCCCCCCCCCCCC(C)(C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105834	0	63	0.0	-33.17	478.08	9.48	-23.69
CCN1C(=O)NC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C21	REAL300012105835	0	38	0.0	-40.89	326.26	2.25	-38.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3NC(=O)N(C4CC4)C3=C2)=N1	REAL300012105836	0	39	0.0	-40.77	331.28	2.89	-37.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC(F)=CC(F)=C3)CCCC2)=N1	REAL300012105837	0	41	0.0	-34.53	335.49	5.56	-28.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Br)C(Br)=CS2)=N1	REAL300012105838	0	25	0.0	-34.59	275.02	2.48	-32.11
CS(=O)(=O)C1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012105839	0	35	0.0	-46.30	323.98	-0.64	-46.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(NC3=CC=CN=C3)C=C2)=N1	REAL300012105840	0	39	0.0	-37.47	332.54	2.92	-34.55
COC(=O)C=CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012105841	0	35	0.0	-39.74	316.98	2.56	-37.18
CC(C)(C)C1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105842	0	44	0.0	-34.62	354.12	5.91	-28.71
CCCCCCCCC=CCCCCCCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105843	0	67	0.0	-34.49	522.05	11.66	-22.83
CC1=CC=C([C@@H]2C[C@H]2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C	REAL300012105844	0	41	0.0	-35.66	334.45	5.66	-30.00
COC1=CC(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OC)=C1O	REAL300012105845	0	43	0.0	-41.67	359.39	0.91	-40.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=C(F)C=CC=C2F)=N1	REAL300012105846	0	36	0.0	-38.48	317.39	3.78	-34.70
C[C@H](OC1=CC=C(Cl)C=C1Cl)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105847	0	35	0.0	-37.38	327.54	3.56	-33.82
COC1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Br)=C1	REAL300012105848	0	38	0.0	-37.59	336.61	3.67	-33.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(CN3C=CN=N3)=C2)=N1	REAL300012105849	0	37	0.0	-43.27	324.12	2.84	-40.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC(C(F)(F)F)=CC=C3S2)=N1	REAL300012105850	0	34	0.0	-35.61	323.03	4.79	-30.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=C(OCC3=CC=CC=C3)C(F)=C2)=N1	REAL300012105851	0	42	0.0	-37.54	374.09	5.98	-31.56
CC1=CC=CC(N2C=NC3=CC(C4=NC([C@@H]([NH3+])CC(=O)[O-])=NO4)=CC=C32)=C1	REAL300012105852	0	44	0.0	-37.15	374.50	7.72	-29.43
CN1C(C(F)(F)F)=NC2=CN=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C21	REAL300012105853	0	36	0.0	-37.57	322.00	1.66	-35.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(F)(F)N2C=C(C3=CC=CC=C3)N=N2)=N1	REAL300012105854	0	37	0.0	-37.81	334.76	2.65	-35.16
COC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1OC(C)C	REAL300012105855	0	42	0.0	-35.66	340.04	3.83	-31.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3C=CC=C(Br)N3N=C2)=N1	REAL300012105856	0	31	0.0	-39.11	294.59	2.61	-36.50
CN1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=CO2)=N1	REAL300012105857	0	35	0.0	-39.34	309.30	2.51	-36.83
CC1(C)CC1(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1	REAL300012105858	0	41	0.0	-33.87	330.80	5.22	-28.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC[C@@H]2CC[C@H](C(F)(F)F)O2)=N1	REAL300012105859	0	38	0.0	-38.22	325.97	2.38	-35.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C(F)F)N(C3=CC=CC=C3)N=C2)=N1	REAL300012105860	0	38	0.0	-37.75	327.77	3.88	-33.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(C=C2Br)OCO3)=N1	REAL300012105861	0	31	0.0	-35.71	288.55	2.49	-33.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C(F)F)=CC=C2F)=N1	REAL300012105862	0	31	0.0	-38.37	285.14	3.70	-34.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=C(F)C=C3)N=C2)=N1	REAL300012105863	0	38	0.0	-37.37	339.68	2.84	-34.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=CC=C3F)N=C2)=N1	REAL300012105864	0	38	0.0	-39.78	340.01	2.76	-37.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2CCC(C3=CC=CC=C3)NC2=O)=N1	REAL300012105865	0	44	0.0	-40.11	363.02	2.91	-37.20
CC1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)(C2=CC=CC(Cl)=C2)C1	REAL300012105866	0	41	0.0	-33.60	344.42	6.30	-27.30
COC1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC2)C=C1OC	REAL300012105867	0	46	0.0	-37.76	370.52	3.87	-33.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NN2CCC2=CC=CC=C2)=N1	REAL300012105868	0	41	0.0	-36.47	349.67	4.49	-31.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC=C2C(F)(F)F)=N1	REAL300012105869	0	28	0.0	-35.69	270.57	2.16	-33.53
COC1=CC=CC(C(OC)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105870	0	39	0.0	-35.91	329.64	1.50	-34.41
COCCOCCOCCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105871	0	45	0.0	-39.89	374.62	0.50	-39.39
COC1=CC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2C=C1OC	REAL300012105872	0	42	0.0	-38.25	350.96	3.93	-34.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2(N3C=NN=N3)CCOCC2)=N1	REAL300012105873	0	40	0.0	-43.54	317.14	0.03	-43.51
CC1=C(CN2C(=O)C3=CC=CC=C3C2=O)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012105874	0	45	0.0	-39.64	391.82	4.46	-35.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN3C=CN=C3C(Br)=C2)=N1	REAL300012105875	0	31	0.0	-41.71	294.16	3.54	-38.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)C2=CC3=CC=CC=C3N2)=N1	REAL300012105876	0	42	0.0	-45.64	358.73	1.52	-44.12
CN1N=C(I)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105877	0	28	0.0	-36.01	274.70	0.75	-35.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OC3=CC=C(Cl)C=N3)=C2)=N1	REAL300012105878	0	38	0.0	-35.78	349.79	3.27	-32.51
CC1(C2=CC=CC(Br)=C2)CC1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105879	0	38	0.0	-35.31	331.97	5.33	-29.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OCC3=CC=CC=C3)C=N2)=N1	REAL300012105880	0	41	0.0	-38.12	353.12	3.76	-34.36
CC1=NC(OC(C)C(F)(F)F)=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105881	0	40	0.0	-36.02	349.14	1.78	-34.24
CC1=NC(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)=CS1	REAL300012105882	0	34	0.0	-36.10	324.85	2.94	-33.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC=C2OCC2=CC=NC=C2)=N1	REAL300012105883	0	44	0.0	-37.48	373.36	4.69	-32.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2CC[C@H](CC3=CC=CC=C3)O2)=N1	REAL300012105884	0	42	0.0	-37.16	346.49	4.15	-33.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C[C@@H]2NC(=O)C3=CC=CC=C3NC2=O)=N1	REAL300012105885	0	40	0.0	-45.22	335.70	-1.20	-46.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=NC4=CC=CC=C43)CC2)=N1	REAL300012105886	0	40	0.0	-37.69	336.97	4.55	-33.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C([N+](=O)[O-])C=C3)CCC2)=N1	REAL300012105887	0	40	0.0	-41.17	334.90	5.83	-35.34
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC(C(F)(F)F)=N1	REAL300012105888	0	39	0.0	-39.71	336.28	3.56	-36.15
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2CCO[C@H]2C2=CC=NN2CC2=CC=CC=C2)=N1	REAL300012105889	0	49	0.0	-40.83	396.49	5.21	-35.62
CC(C)C1=CC=CC=C1NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105890	0	49	0.0	-34.52	396.75	6.69	-27.83
COC1=CC=CC=C1NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105891	0	44	0.0	-35.99	368.42	4.24	-31.75
COC1=CC=C(NC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C(OC)=C1	REAL300012105892	0	48	0.0	-36.51	398.34	3.51	-33.00
CC(C)(C)C1=CC=CC=C1NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105893	0	52	0.0	-34.81	405.62	7.65	-27.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(Cl)S2)=N1	REAL300012105894	0	29	0.0	-35.56	285.34	3.27	-32.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC=C2OC(F)(F)F)=N1	REAL300012105895	0	36	0.0	-35.80	322.88	3.44	-32.36
COC1=CC=CC(C2=NOC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=C1	REAL300012105896	0	38	0.0	-41.48	331.51	2.73	-38.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3CCOCC3)C=C2)=N1	REAL300012105897	0	39	0.0	-37.96	322.54	0.87	-37.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2C3CC4=C(Br)C=CC=C4C32)=N1	REAL300012105898	0	36	0.0	-37.02	316.00	5.19	-31.83
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C(C2=CC=CC=C2)O1	REAL300012105899	0	38	0.0	-36.01	325.70	4.78	-31.23
CC1(C)[C@@]2(C)CC[C@]1(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)OC2=O	REAL300012105900	0	41	0.0	-43.49	321.21	2.66	-40.83
CC1=CN(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C1C(F)(F)F	REAL300012105901	0	34	0.0	-46.09	311.02	1.95	-44.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CNC(=O)C3=CC=CC=C32)=N1	REAL300012105902	0	36	0.0	-42.42	305.10	0.78	-41.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC(C3=CC=CC=C3)=C2)=N1	REAL300012105903	0	42	0.0	-36.65	352.19	7.01	-29.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(N3CCCC3=O)=C2)=N1	REAL300012105904	0	38	0.0	-39.87	319.11	1.74	-38.13
CC1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)NC2=C(F)C=C1	REAL300012105905	0	35	0.0	-36.40	305.88	2.91	-33.49
CC1=NOC(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCOCC2)=C1	REAL300012105906	0	41	0.0	-37.28	330.90	1.57	-35.71
CC1=CC(C)=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C1Br	REAL300012105907	0	37	0.0	-33.47	313.39	5.51	-27.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(F)=C2OC(F)(F)F)=N1	REAL300012105908	0	32	0.0	-37.30	296.82	2.96	-34.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC(C(F)(F)F)=CC=C2Cl)=N1	REAL300012105909	0	35	0.0	-35.56	330.98	5.03	-30.53
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2CCOC2)=N1	REAL300012105910	0	38	0.0	-36.85	327.04	0.82	-36.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC3=C(Br)C=NC=C3C=C2)=N1	REAL300012105911	0	32	0.0	-43.01	303.58	1.56	-41.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C([N+](=O)[O-])C=C3F)C=C2)=N1	REAL300012105912	0	37	0.0	-39.33	337.56	4.10	-35.23
CSC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012105913	0	33	0.0	-35.47	310.93	3.83	-31.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(F)C=C3)C(C3=CC=CC=C3)=N2)=N1	REAL300012105914	0	44	0.0	-37.63	383.13	6.49	-31.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN2CC2=CC=C(Cl)C=C2)=N1	REAL300012105915	0	43	0.0	-34.82	355.86	3.01	-31.81
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC(Cl)=CC(Cl)=C2)=N1	REAL300012105916	0	31	0.0	-37.62	301.88	4.12	-33.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=CC=CC=C3Br)S2)=N1	REAL300012105917	0	34	0.0	-36.67	327.43	4.44	-32.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(C3=CC=C(Cl)C=C3Cl)=C2)=N1	REAL300012105918	0	34	0.0	-36.33	333.99	4.40	-31.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Br)C3=CC=CC=C3O2)=N1	REAL300012105919	0	31	0.0	-35.87	293.88	3.32	-32.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(N3CCCC3)=N2)=N1	REAL300012105920	0	38	0.0	-35.20	316.03	0.32	-34.88
CC1=NC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NN2C(C(F)(F)F)=C1	REAL300012105921	0	36	0.0	-40.95	330.67	2.70	-38.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=C(Br)C=N2)=N1	REAL300012105922	0	31	0.0	-35.70	295.70	-0.04	-35.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN3C=C(C(F)(F)F)N=C23)=N1	REAL300012105923	0	38	0.0	-40.05	330.87	3.39	-36.66
COC1=CC=C(C2=C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)SC(C)=N2)C=C1	REAL300012105924	0	44	0.0	-41.83	379.91	3.71	-38.12
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1N1CCOCC1	REAL300012105925	0	44	0.0	-34.54	354.18	2.63	-31.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(NC3=NC=CC(C(F)(F)F)=N3)=C2)=N1	REAL300012105926	0	41	0.0	-38.23	368.29	5.99	-32.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC(Cl)=CC3=CC=CC=C32)=N1	REAL300012105927	0	37	0.0	-38.08	327.59	5.74	-32.34
COC1=CC=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)SC2=C1	REAL300012105928	0	35	0.0	-37.07	313.55	3.10	-33.97
COC1=CC=C2C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=COC2=C1C	REAL300012105929	0	41	0.0	-40.98	345.71	3.52	-37.46
CC1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=CC=CC=C2NC1=O	REAL300012105930	0	37	0.0	-37.37	315.73	0.14	-37.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(COC3=CC=CC=C3)=N2)=N1	REAL300012105931	0	41	0.0	-42.17	364.63	3.43	-38.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=CC(Cl)=C2F)=N1	REAL300012105932	0	28	0.0	-35.27	283.89	3.76	-31.51
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NC2=C(Cl)C=CC=C12	REAL300012105933	0	36	0.0	-39.72	315.88	3.77	-35.95
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C1=CN(C)N=C1	REAL300012105934	0	41	0.0	-37.49	345.44	4.20	-33.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(F)C3=CC=CC=C23)=N1	REAL300012105935	0	38	0.0	-37.97	326.84	5.78	-32.19
CC1=CC(OC2=CC=CC=C2)=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105936	0	42	0.0	-35.30	350.49	5.73	-29.57
CC1CN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)CC(C)O1	REAL300012105937	0	47	0.0	-35.24	372.71	2.73	-32.51
CC(C)(C)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Cl)=N1	REAL300012105938	0	39	0.0	-35.97	337.77	3.66	-32.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CNC4=NC=CC4=C3)=CC=N2)=N1	REAL300012105939	0	40	0.0	-48.74	349.65	3.56	-45.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CN=C4NC=CC4=C3)=CC=N2)=N1	REAL300012105939	1	40	0.0	-41.88	342.84	3.23	-38.65
CC1=NC2=C(Cl)C=CC=C2C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105940	0	36	0.0	-37.84	319.80	3.83	-34.01
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105941	0	54	0.0	-36.45	436.54	5.04	-31.41
CN1C(=O)COC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C21	REAL300012105942	0	37	0.0	-39.14	313.63	1.39	-37.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C(F)F)=C2F)=N1	REAL300012105943	0	31	0.0	-39.92	283.99	3.33	-36.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(C3=CC=CC(Cl)=C3F)=NO2)=N1	REAL300012105944	0	36	0.0	-46.94	332.06	3.33	-43.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=C(Br)C=C2F)=N1	REAL300012105945	0	28	0.0	-35.07	277.96	3.42	-31.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC=C3)CC3(CCC3)C2)=N1	REAL300012105946	0	45	0.0	-34.07	356.79	6.35	-27.72
CC1=CN(C(C)(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C1C(F)(F)F	REAL300012105947	0	40	0.0	-40.13	346.73	3.08	-37.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(Cl)C=C3Cl)CCCC2)=N1	REAL300012105948	0	41	0.0	-33.34	343.48	6.14	-27.20
CC(C)C(C)(CC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105949	0	46	0.0	-34.53	346.02	6.31	-28.22
CC1=CC=CC=C1C1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCCC1	REAL300012105950	0	44	0.0	-33.75	334.66	5.30	-28.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC2C2=CC=C(F)C=C2)=N1	REAL300012105951	0	38	0.0	-36.81	318.41	4.92	-31.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3CCCCN3C(C(F)(F)F)=N2)=N1	REAL300012105952	0	38	0.0	-39.66	327.05	3.22	-36.44
CCC1=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C2O1	REAL300012105953	0	40	0.0	-39.11	332.38	5.65	-33.46
CC1=CN(C2CCOCC2)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105954	0	42	0.0	-37.82	341.13	1.42	-36.40
COC1=CC=C(Cl)C(C2=NOC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=C1	REAL300012105955	0	38	0.0	-39.63	343.93	3.41	-36.22
CCCCCCCC(=O)NC(CCSC)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105956	0	56	0.0	-38.78	454.50	5.00	-33.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=NC=CC4=CC=CC=C43)CC2)=N1	REAL300012105957	0	40	0.0	-37.31	335.83	4.62	-32.69
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C(F)(F)F	REAL300012105958	0	34	0.0	-34.82	300.83	3.95	-30.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(OCC3=CC=CC=C3)=CS2)=N1	REAL300012105959	0	39	0.0	-35.56	349.58	4.71	-30.85
CCOC1=CC=CC(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105960	0	41	0.0	-37.07	341.27	4.13	-32.94
CC1=C(F)C=C(S(N)(=O)=O)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105961	0	36	0.0	-40.97	321.30	-2.14	-43.11
COC1=CC(F)=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Cl)=C1	REAL300012105962	0	32	0.0	-34.56	292.78	2.90	-31.66
CC1(C)OC(=O)C2=CC=CC=C2C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105963	0	41	0.0	-41.13	337.01	4.16	-36.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C(F)F)N=C3C=CC=CN32)=N1	REAL300012105964	0	34	0.0	-40.68	299.77	4.55	-36.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC(Cl)=C3F)=NO2)=N1	REAL300012105965	0	34	0.0	-44.47	322.69	4.06	-40.41
CC1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)COC2=CC=CC=C2O1	REAL300012105966	0	37	0.0	-36.17	309.46	2.39	-33.78
COC(=O)C=CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012105967	0	38	0.0	-38.41	333.30	4.33	-34.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC=C2OCC2=CC=CC=C2)=N1	REAL300012105968	0	46	0.0	-36.20	388.15	6.93	-29.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CSC(C(F)(F)F)=C2)=N1	REAL300012105969	0	32	0.0	-36.55	309.32	3.76	-32.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(CCC(F)(F)F)=N2)=N1	REAL300012105970	0	36	0.0	-38.67	336.13	2.73	-35.94
CSC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Br	REAL300012105971	0	32	0.0	-35.27	305.83	3.98	-31.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2C3CC4=CC(Br)=CC=C4C32)=N1	REAL300012105972	0	36	0.0	-35.34	323.58	5.61	-29.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=C(F)C=CC=C2Cl)=N1	REAL300012105973	0	35	0.0	-34.97	312.79	4.85	-30.12
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)N1C=CC(C(F)(F)F)=N1	REAL300012105974	0	34	0.0	-42.19	309.23	1.76	-40.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC=C2C(F)(F)F)=N1	REAL300012105975	0	35	0.0	-36.28	311.55	4.42	-31.86
CC1=CC=CC(COC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105976	0	41	0.0	-36.31	344.10	3.77	-32.54
CC1(C)[C@H](C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)[C@H]1C1=CC=CC=C1	REAL300012105977	0	41	0.0	-34.00	328.21	5.23	-28.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(F)C3=C2CCCC3)=N1	REAL300012105978	0	44	0.0	-37.10	351.45	6.18	-30.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=COC3=CC(Cl)=CC=C23)=N1	REAL300012105979	0	34	0.0	-39.47	312.96	3.99	-35.48
CCC1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)NC2=CC=C1	REAL300012105980	0	38	0.0	-34.80	321.10	3.62	-31.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2OCCO[C@@H]2C(F)(F)F)=N1	REAL300012105981	0	33	0.0	-37.84	281.61	-0.47	-38.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(F)C3=CC=CC=C23)=N1	REAL300012105982	0	40	0.0	-38.31	337.94	6.05	-32.26
CCOC(=O)C1(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCOCC1	REAL300012105983	0	44	0.0	-38.32	345.83	2.81	-35.51
CCC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(Br)C=C1	REAL300012105984	0	37	0.0	-34.48	325.92	4.78	-29.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2C3CC4=CC(Cl)=CC=C4C32)=N1	REAL300012105985	0	36	0.0	-35.39	319.02	5.50	-29.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=CC=C3OCCCOC3=C2)=N1	REAL300012105986	0	46	0.0	-42.17	374.25	4.62	-37.55
COC1=CC=C(C2=CN=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)C(C)=C1	REAL300012105987	0	44	0.0	-36.78	367.07	3.94	-32.84
CN1CC(=O)NC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CN=C21	REAL300012105988	0	37	0.0	-39.60	316.00	-1.66	-41.26
CC1=CC(Br)=C(F)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012105989	0	31	0.0	-36.84	292.98	4.02	-32.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC(Cl)=C3)NC2=O)=N1	REAL300012105990	0	38	0.0	-46.48	340.47	3.76	-42.72
CN(C1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CS1)C1=CC=CC=C1	REAL300012105991	0	39	0.0	-36.69	348.61	4.59	-32.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=C(C(F)(F)F)SC=C2)=N1	REAL300012105992	0	32	0.0	-36.10	304.35	3.58	-32.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3CCOCC3)C=C2)=N1	REAL300012105993	0	42	0.0	-35.18	338.99	3.80	-31.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(C(F)F)C=C2)=N1	REAL300012105994	0	37	0.0	-37.15	322.09	4.77	-32.38
CC1=CC2=C(SC=C2CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012105995	0	34	0.0	-37.85	317.90	4.35	-33.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC(Br)=CC=C3C=C2)=N1	REAL300012105996	0	34	0.0	-35.08	313.82	5.29	-29.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C(F)(F)F)N(C3=CC=CC(F)=C3)N=C2)=N1	REAL300012105997	0	38	0.0	-36.88	339.19	4.02	-32.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC(F)(F)F)C=C2C(F)(F)F)=N1	REAL300012105998	0	35	0.0	-34.26	322.23	2.93	-31.33
COC1=CC(I)=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012105999	0	32	0.0	-34.24	301.55	3.61	-30.63
COC1=CC=CC=C1C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012106000	0	39	0.0	-36.38	346.85	4.62	-31.76
CC(C)(C)CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106001	0	43	0.0	-33.46	342.95	5.44	-28.02
CCOC1COCCC1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106002	0	42	0.0	-35.96	334.78	0.92	-35.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)=N1	REAL300012106003	0	38	0.0	-38.05	355.78	5.62	-32.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(N3CCCS3(=O)=O)C=C2)=N1	REAL300012106004	0	44	0.0	-48.32	374.40	2.10	-46.22
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C1=CC=C(C(F)(F)F)C=C1	REAL300012106005	0	41	0.0	-38.21	361.72	4.92	-33.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC(F)(F)F)C=C2Br)=N1	REAL300012106006	0	32	0.0	-33.52	308.49	2.66	-30.86
CN1C=C(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C=N1	REAL300012106007	0	38	0.0	-38.78	326.48	3.72	-35.06
CC1=NN(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C(F)F)=C1	REAL300012106008	0	34	0.0	-40.43	298.14	1.43	-39.00
CC(C)C1=CC=C(OC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=N2)C=C1	REAL300012106009	0	47	0.0	-36.40	393.69	4.68	-31.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CN3C=C(F)C=CC3=N2)=N1	REAL300012106010	0	34	0.0	-41.82	301.73	3.67	-38.15
CC(=O)NC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC(Br)=C1	REAL300012106011	0	38	0.0	-39.13	348.14	2.30	-36.83
CC(C)(C)N1C=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1=O	REAL300012106012	0	40	0.0	-41.80	320.80	3.78	-38.02
CC(C)N1N=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1I	REAL300012106013	0	34	0.0	-34.61	315.47	2.49	-32.12
CC1=NC2=CC=CC(Cl)=C2C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106014	0	36	0.0	-36.08	317.72	3.65	-32.43
CC1=CSC2=NC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CN12	REAL300012106015	0	34	0.0	-43.98	307.10	3.36	-40.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=NC=C2C2=CC=CC=C2)=N1	REAL300012106016	0	38	0.0	-42.46	322.18	5.11	-37.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=CN3C=CN=C23)=N1	REAL300012106017	0	31	0.0	-38.00	294.59	3.68	-34.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC3CCCCC(C2)C3=O)=N1	REAL300012106018	0	43	0.0	-38.04	323.05	3.57	-34.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2C3CC4=CC=C(Br)C=C4C32)=N1	REAL300012106019	0	36	0.0	-35.55	316.65	5.23	-30.32
CCC1=CC2=C(SC=C2CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012106020	0	37	0.0	-37.56	339.38	5.12	-32.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C(F)(F)F)=NC=N2)=N1	REAL300012106021	0	29	0.0	-37.31	276.76	1.34	-35.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=COC3=C(Cl)C(Cl)=CC=C23)=N1	REAL300012106022	0	34	0.0	-41.71	328.11	4.45	-37.26
CC1(C)CNC(=O)C2=C(C1)OC=C2C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106023	0	42	0.0	-38.91	344.64	0.70	-38.21
CC(C)(C)C(=O)NCC(=O)OCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106024	0	46	0.0	-40.76	383.22	1.58	-39.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOC2CCOCC2)=N1	REAL300012106025	0	42	0.0	-38.34	338.61	1.19	-37.15
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(N3CCCS3(=O)=O)C=C2)=N1	REAL300012106026	0	46	0.0	-48.04	386.52	2.41	-45.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=CC3=CC=CC=C32)=N1	REAL300012106027	0	40	0.0	-36.53	332.39	6.02	-30.51
CC(CCC1=CC=C(F)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106028	0	40	0.0	-37.71	335.36	5.20	-32.51
CC(C)(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(F)C=C1	REAL300012106029	0	40	0.0	-37.03	323.83	4.74	-32.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(Cl)N=CC=C3S2)=N1	REAL300012106030	0	30	0.0	-36.29	295.07	2.43	-33.86
CCN1N=CN=C1C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106031	0	40	0.0	-40.47	336.35	4.92	-35.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=CC(Br)=CC2=O)=N1	REAL300012106032	0	31	0.0	-47.12	293.53	2.07	-45.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=NC(Cl)=C3S2)=N1	REAL300012106033	0	30	0.0	-38.91	295.41	2.44	-36.47
CCS(=O)(=O)C1=CC=C(OC)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106034	0	41	0.0	-43.95	355.89	0.95	-43.00
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC3=C(Br)C=CC=C23)=N1	REAL300012106035	0	34	0.0	-34.85	306.09	5.00	-29.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OC3=CC=CC=N3)=C2)=N1	REAL300012106036	0	38	0.0	-36.99	332.93	2.81	-34.18
CCOC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1CCOCC1	REAL300012106037	0	42	0.0	-35.29	332.15	0.93	-34.36
COC(=O)C1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012106038	0	36	0.0	-44.04	319.01	1.94	-42.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=C(Cl)C=CC=C3Cl)S2)=N1	REAL300012106039	0	34	0.0	-36.71	334.16	4.55	-32.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(Br)C=C2Cl)=N1	REAL300012106040	0	31	0.0	-37.79	302.25	4.37	-33.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(C4CC4)C=CC=C3N2)=N1	REAL300012106041	0	39	0.0	-34.93	327.51	4.30	-30.63
CC1=CC2=C(S1)C(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=CS2	REAL300012106042	0	34	0.0	-36.36	317.18	4.34	-32.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)C3=C(F)C=CC=C3S2)=N1	REAL300012106043	0	31	0.0	-36.08	301.22	4.20	-31.88
CN(C)S(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1F	REAL300012106044	0	39	0.0	-40.60	342.04	0.30	-40.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)=N1	REAL300012106045	0	39	0.0	-36.84	332.88	3.52	-33.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC(=O)C2=CC=CC=C2)=N1	REAL300012106046	0	39	0.0	-43.91	331.63	4.51	-39.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC(F)=CC=C3NC2=O)=N1	REAL300012106047	0	34	0.0	-42.69	302.86	1.89	-40.80
CC(=O)N(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1	REAL300012106048	0	38	0.0	-44.10	311.35	2.87	-41.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3CCOCC3)O2)=N1	REAL300012106049	0	41	0.0	-37.34	337.58	-0.35	-37.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@]2(C3=CC=CC=C3)C[C@@H](F)C2)=N1	REAL300012106050	0	38	0.0	-35.84	318.44	4.76	-31.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CN=C3)CC3(CCC3)C2)=N1	REAL300012106051	0	44	0.0	-35.47	348.90	5.13	-30.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(CC3CNC(=O)O3)N=N2)=N1	REAL300012106052	0	36	0.0	-52.54	318.44	-3.22	-55.76
CC1=CC=NC(OC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)=C1	REAL300012106053	0	41	0.0	-36.75	354.39	3.46	-33.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=NC=CN3)=N2)=N1	REAL300012106054	0	31	0.0	-45.71	293.09	-0.19	-45.90
CC(SC1=NC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CS1)C(N)=O	REAL300012106055	0	38	0.0	-48.93	347.21	-1.67	-50.60
CC(C)(C)C1=CC=C(C(F)(F)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106056	0	43	0.0	-33.91	354.69	5.55	-28.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=CC(C(F)(F)F)=C3NC2=O)=N1	REAL300012106057	0	37	0.0	-47.04	330.59	3.03	-44.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C3OCOC3=C2)=N1	REAL300012106058	0	35	0.0	-38.84	304.07	2.25	-36.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)=N1	REAL300012106059	0	42	0.0	-37.01	368.92	7.53	-29.48
CC(C)C1=CC=C(C2=NC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)C=C1	REAL300012106060	0	46	0.0	-39.21	393.16	5.83	-33.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3CCS(=O)(=O)C3)=N2)=N1	REAL300012106061	0	40	0.0	-47.61	358.59	-0.62	-48.23
C[C@H]1CC[C@H](C2=NC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CS2)CC1	REAL300012106062	0	46	0.0	-37.04	378.67	4.64	-32.40
COC1=CC=C(C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NO2)C=C1	REAL300012106063	0	38	0.0	-38.91	331.46	2.73	-36.18
CCC1=CC=C(C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NO2)C=C1	REAL300012106064	0	40	0.0	-37.18	344.90	4.86	-32.32
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(C(F)(F)F)C=C1	REAL300012106065	0	40	0.0	-35.87	340.22	4.89	-30.98
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(F)C=C1F	REAL300012106066	0	37	0.0	-36.94	309.90	3.85	-33.09
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=CC=C(C)C=C2F)=N1	REAL300012106067	0	40	0.0	-35.94	353.94	4.44	-31.50
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=CC=C(F)C(C)=C2)=N1	REAL300012106068	0	40	0.0	-35.70	355.54	4.47	-31.23
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300012106069	0	40	0.0	-38.46	367.22	4.72	-33.74
CCCCC1=NC(C)=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012106070	0	42	0.0	-37.60	358.77	3.88	-33.72
CC1=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2CCC2)=N1	REAL300012106071	0	40	0.0	-37.57	342.14	3.71	-33.86
CC1=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=NN(C)C=C2)=N1	REAL300012106072	0	40	0.0	-44.13	357.26	2.34	-41.79
CC(C)(CC1=CC=C(Br)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106073	0	40	0.0	-35.46	342.75	5.23	-30.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3CCC(=O)N3)C=C2)=N1	REAL300012106074	0	39	0.0	-42.12	329.81	1.92	-40.20
CCC(SC1=NC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CS1)C(N)=O	REAL300012106075	0	41	0.0	-41.68	365.32	-0.71	-42.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]3CC[C@@H](C2)S3(=O)=O)=N1	REAL300012106076	0	38	0.0	-43.50	302.98	-0.43	-43.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC=C2N2CCCC2=O)=N1	REAL300012106077	0	42	0.0	-41.84	344.80	5.56	-36.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=O)N=CNC3=C2)=N1	REAL300012106078	0	33	0.0	-51.73	292.21	0.73	-51.00
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCCN(C3=NC4=CC=CC=C4S3)C2)=N1	REAL300012106079	0	45	0.0	-39.94	377.35	3.90	-36.04
COC1=CC=CC=C1C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(=O)N1	REAL300012106080	0	42	0.0	-40.78	359.19	3.29	-37.49
CC1=CC=C(OC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)N=C1	REAL300012106081	0	41	0.0	-36.66	354.44	3.42	-33.24
CC1=CC=C(Cl)C=C1OCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106082	0	35	0.0	-36.79	313.68	3.20	-33.59
CCCCCC=CCC=CCCCCCCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106083	0	65	0.0	-34.62	513.14	11.50	-23.12
CC1=CC(C(F)(F)F)=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012106084	0	32	0.0	-38.32	298.66	1.27	-37.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300012106085	0	38	0.0	-38.73	335.10	5.48	-33.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2CCCCS2(=O)=O)=N1	REAL300012106086	0	36	0.0	-43.33	305.54	-1.41	-44.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC(F)F)C(Cl)=C2)=N1	REAL300012106087	0	32	0.0	-36.84	301.67	2.55	-34.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC(F)F)C(Br)=C2)=N1	REAL300012106088	0	32	0.0	-36.75	306.06	2.66	-34.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCOC3=C(F)C=CC=C32)=N1	REAL300012106089	0	36	0.0	-37.67	304.26	2.79	-34.88
CS(=O)(=O)C1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012106090	0	40	0.0	-45.98	330.15	-0.06	-46.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC(C(F)(F)F)=C3)=CC=N2)=N1	REAL300012106091	0	40	0.0	-39.33	355.14	4.95	-34.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC(F)=C3)S2)=N1	REAL300012106092	0	35	0.0	-37.63	321.36	5.18	-32.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=C(C(F)F)C=C2C2CC2)=N1	REAL300012106093	0	38	0.0	-41.57	335.15	3.16	-38.41
CCC(CC1=CC=CC(C)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106094	0	43	0.0	-34.39	348.97	5.65	-28.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC(Cl)=CC(Br)=C3)CC2)=N1	REAL300012106095	0	35	0.0	-35.23	328.26	6.14	-29.09
CC1=CC=C([N+](=O)[O-])C(C)=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106096	0	36	0.0	-37.47	299.70	4.93	-32.54
COC1=CC(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCC2)=CC(OC)=C1	REAL300012106097	0	49	0.0	-35.51	381.67	4.02	-31.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3CCCCO3)CCOCC2)=N1	REAL300012106098	0	46	0.0	-34.54	336.63	2.85	-31.69
CC1=CC=C2OCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC2=C1	REAL300012106099	0	37	0.0	-34.97	313.70	3.57	-31.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CNC(=O)CC2C(F)(F)F)=N1	REAL300012106100	0	35	0.0	-44.45	295.06	-0.92	-45.37
N#CC1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCC2)C=C1	REAL300012106101	0	42	0.0	-38.44	343.43	5.83	-32.61
COC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012106102	0	40	0.0	-39.35	336.66	2.81	-36.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(SC(F)F)C=C2)=N1	REAL300012106103	0	36	0.0	-37.49	327.69	4.85	-32.64
COC(=O)CC[C@@H]1CC[C@H](C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012106104	0	41	0.0	-38.45	341.60	1.99	-36.46
COC(=O)[C@@H]1CO[C@H](CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1	REAL300012106105	0	41	0.0	-40.50	340.92	1.87	-38.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(I)O2)=N1	REAL300012106106	0	29	0.0	-36.20	288.94	2.96	-33.24
COC1=CC=C(OC)C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106107	0	40	0.0	-36.32	335.83	2.23	-34.09
CC1(C)CCC2=C(C1)C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=NO2	REAL300012106108	0	40	0.0	-36.27	321.03	3.34	-32.93
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=CC=C(C)C=C2)=N1	REAL300012106109	0	40	0.0	-35.55	350.26	4.45	-31.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CSC(C3CCCC3)=N2)=N1	REAL300012106110	0	40	0.0	-37.26	338.88	3.36	-33.90
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C(F)(F)F)=CO1	REAL300012106111	0	31	0.0	-35.97	285.57	2.70	-33.27
C=CCNS(=O)(=O)C1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012106112	0	40	0.0	-45.36	371.26	-0.18	-45.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2CCC3=CC=CC=C32)=N1	REAL300012106113	0	41	0.0	-37.29	332.32	5.64	-31.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C(F)(F)F)=CC=N2)=N1	REAL300012106114	0	30	0.0	-36.85	281.11	1.52	-35.33
COC1=CC=C(CCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012106115	0	48	0.0	-40.45	391.65	4.66	-35.79
COC1=CC=C2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC2=C1	REAL300012106116	0	42	0.0	-36.74	338.55	4.03	-32.71
COC1=CC=C(Cl)C=C1C(F)(F)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106117	0	35	0.0	-36.32	320.72	2.94	-33.38
CCOC(=O)N(C)CCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106118	0	41	0.0	-42.40	343.40	2.16	-40.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CCC3(CCOCC3)CO2)=N1	REAL300012106119	0	46	0.0	-37.85	346.35	1.56	-36.29
CC1=CC(C)=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C1Br	REAL300012106120	0	40	0.0	-37.12	337.23	5.18	-31.94
COC1=CC=C(CCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012106121	0	45	0.0	-41.77	370.15	3.88	-37.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2[C@@H](C3=CC=CC=C3)C2(F)F)=N1	REAL300012106122	0	35	0.0	-36.09	304.51	4.47	-31.62
CCOC1=CC=C(CCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OCC	REAL300012106123	0	51	0.0	-41.65	413.86	5.72	-35.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=CC=C(Br)C=C2)=N1	REAL300012106124	0	37	0.0	-37.95	332.70	5.31	-32.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC(F)=CC(F)=C3)C=C2)=N1	REAL300012106125	0	35	0.0	-39.59	318.82	3.56	-36.03
CC1=C2OC=C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=CC=C1Cl	REAL300012106126	0	37	0.0	-39.45	331.65	4.57	-34.88
CN1N=C(C2=CC=CN=C2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106127	0	37	0.0	-38.44	320.79	1.63	-36.81
CN1N=C(C2=CC=NC=C2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106128	0	37	0.0	-38.96	320.34	1.82	-37.14
CN1N=C2CCS(=O)(=O)CC2=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106129	0	38	0.0	-44.28	326.05	-1.18	-45.46
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106130	0	38	0.0	-39.73	329.85	3.67	-36.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC(Br)=CC=C2F)=N1	REAL300012106131	0	32	0.0	-34.89	304.83	4.25	-30.64
COC1=CC2=CC=C(C=CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2C=C1	REAL300012106132	0	42	0.0	-38.51	353.59	5.15	-33.36
CC1=CC=C([N+](=O)[O-])C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1C	REAL300012106133	0	36	0.0	-41.10	306.03	4.60	-36.50
CN1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Br)=N1	REAL300012106134	0	28	0.0	-39.85	269.28	0.99	-38.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC3=CC=C(Br)C=C3C(=O)O2)=N1	REAL300012106135	0	35	0.0	-43.63	323.77	3.96	-39.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=CC(OCC3=CC=CC=C3)=C2)=N1	REAL300012106136	0	48	0.0	-38.15	401.17	7.18	-30.97
CC1=NC(=O)C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2N1	REAL300012106137	0	36	0.0	-50.29	313.77	0.67	-49.62
CC1=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(CC(F)(F)F)=N1	REAL300012106138	0	36	0.0	-39.39	334.78	2.70	-36.69
C[C@H](NC(=O)CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1	REAL300012106139	0	44	0.0	-38.13	367.03	3.11	-35.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=COC3=C(F)C(F)=CC=C23)=N1	REAL300012106140	0	34	0.0	-44.12	309.02	3.60	-40.52
CCSC1=CC=CC=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106141	0	38	0.0	-34.75	327.08	4.86	-29.89
C=CCOC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012106142	0	44	0.0	-39.34	371.42	4.31	-35.03
CCCCC1=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C2O1	REAL300012106143	0	47	0.0	-37.01	395.21	7.26	-29.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=COC3=C2C(=O)NCCC3)=N1	REAL300012106144	0	36	0.0	-40.07	304.71	-0.34	-40.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(Cl)C=NC=C3S2)=N1	REAL300012106145	0	30	0.0	-35.14	295.08	2.49	-32.65
CC1=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(C)N1C1CCCCC1	REAL300012106146	0	52	0.0	-34.98	398.96	7.27	-27.71
CC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Br)=C1	REAL300012106147	0	35	0.0	-35.01	317.69	4.78	-30.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CCC3=C(C=CS3)C2=O)=N1	REAL300012106148	0	37	0.0	-39.88	318.34	4.68	-35.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3OCCCOC3=C2[N+](=O)[O-])=N1	REAL300012106149	0	39	0.0	-41.48	336.61	3.37	-38.11
CCOC1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2(Cl)Cl)C=C1	REAL300012106150	0	42	0.0	-35.65	377.22	5.41	-30.24
CC12CC3CC(C1)CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)(C3)C2	REAL300012106151	0	45	0.0	-32.54	330.80	4.71	-27.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C4OCCOC4=C3)CC2)=N1	REAL300012106152	0	41	0.0	-38.73	334.72	4.17	-34.56
CC1=CC=C(C2=NOC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2)C=C1	REAL300012106153	0	39	0.0	-40.04	332.74	3.37	-36.67
CC1=CC=C(C)C(C2=NOC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2)=C1	REAL300012106154	0	42	0.0	-36.60	348.13	4.23	-32.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CN3N=CC(Br)=C23)=N1	REAL300012106155	0	31	0.0	-38.16	291.62	2.51	-35.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=C(Br)C=N3)S2)=N1	REAL300012106156	0	35	0.0	-37.49	342.78	3.82	-33.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=C(Cl)C=N3)S2)=N1	REAL300012106157	0	35	0.0	-37.60	338.15	3.72	-33.88
CCC1=NC(C)=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=N1	REAL300012106158	0	41	0.0	-41.04	336.36	2.69	-38.35
CN1N=C(C2=CC=CC=C2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106159	0	38	0.0	-37.43	325.79	3.42	-34.01
CN1N=C(C(F)(F)F)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106160	0	31	0.0	-37.28	287.78	0.84	-36.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=NN2C2=CC=CC=C2Br)=N1	REAL300012106161	0	34	0.0	-39.06	316.48	2.69	-36.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=NN2C2=CC(Cl)=CC=C2Cl)=N1	REAL300012106162	0	34	0.0	-37.84	329.13	3.08	-34.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COCCC2=CC=C(Br)C=C2)=N1	REAL300012106163	0	38	0.0	-37.38	345.23	3.81	-33.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCC2=CC=C(C3CC3)C=C2)=N1	REAL300012106164	0	44	0.0	-37.00	360.62	6.79	-30.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(CC3=CC=CC=C3)=C2)=N1	REAL300012106165	0	37	0.0	-38.79	325.41	4.30	-34.49
CC1=C(C2=CC=CC=C2)N(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(=O)S1	REAL300012106166	0	41	0.0	-37.26	356.59	4.40	-32.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(C3=CC=CC=N3)=NO2)=N1	REAL300012106167	0	35	0.0	-38.85	307.55	0.95	-37.90
CCC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Br	REAL300012106168	0	34	0.0	-33.92	305.43	4.29	-29.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(F)(F)C2=NC=CC=C2Br)=N1	REAL300012106169	0	30	0.0	-36.79	290.66	2.13	-34.66
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=CC(F)=C2)=NO1	REAL300012106170	0	37	0.0	-36.38	324.33	4.22	-32.16
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1=CC=CC=C1Br	REAL300012106171	0	37	0.0	-43.64	337.19	3.20	-40.44
COC1=CC=CC(C(F)(F)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106172	0	35	0.0	-35.10	307.99	2.52	-32.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CN(CC(F)(F)F)C2=O)=N1	REAL300012106173	0	34	0.0	-45.71	308.04	3.33	-42.38
COC(C1=CC=C(Br)S1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106174	0	32	0.0	-35.36	312.83	1.96	-33.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C([N+](=O)[O-])C=C2Cl)=N1	REAL300012106175	0	36	0.0	-42.01	331.89	4.98	-37.03
CC1=CC=CN=C1OC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106176	0	41	0.0	-36.92	353.07	3.49	-33.43
CCS(=O)(=O)C1=CC=CC=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106177	0	40	0.0	-43.52	337.26	1.22	-42.30
CN1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(I)=N1	REAL300012106178	0	28	0.0	-39.12	275.12	1.50	-37.62
COC1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)NC2=CC=C1	REAL300012106179	0	36	0.0	-35.99	308.25	1.51	-34.48
CC1=CC=CC=C1C1=NOC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1	REAL300012106180	0	39	0.0	-36.96	326.73	3.56	-33.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC(Br)=CC=C2Cl)=N1	REAL300012106181	0	31	0.0	-35.89	302.25	4.37	-31.52
CNC(=O)NC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106182	0	37	0.0	-40.38	317.71	-0.06	-40.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(C3=CC=C(OC(F)(F)F)C=C3)=C2)=N1	REAL300012106183	0	39	0.0	-38.41	351.11	2.02	-36.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(CCCOCC3=CC=CC=C3)CC2)=N1	REAL300012106184	0	48	0.0	-37.32	391.18	7.02	-30.30
CCOC(=O)N1CSCC1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106185	0	37	0.0	-36.22	323.68	1.10	-35.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3CCCCCC3)C=C2)=N1	REAL300012106186	0	46	0.0	-33.47	350.61	4.04	-29.43
CC(SC1=CC=C(F)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106187	0	35	0.0	-34.48	311.51	4.19	-30.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C[C@@H]2C[C@H]2CC2=CC=CC=C2)=N1	REAL300012106188	0	41	0.0	-35.64	342.78	6.12	-29.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=CN=N3)O2)=N1	REAL300012106189	0	34	0.0	-43.00	305.91	1.01	-41.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC=N3)N=C2)=N1	REAL300012106190	0	34	0.0	-37.77	303.04	2.91	-34.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC=C(C(F)(F)F)C=C2Cl)=N1	REAL300012106191	0	30	0.0	-35.43	293.11	1.82	-33.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=NC=CN=C3C(Br)=C2)=N1	REAL300012106192	0	32	0.0	-38.84	302.91	1.59	-37.25
CC1(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCS(=O)(=O)N1	REAL300012106193	0	36	0.0	-49.60	303.04	-2.88	-52.48
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC3=CC(Cl)=CC=C32)=N1	REAL300012106194	0	33	0.0	-36.35	298.99	3.08	-33.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3OCCNC(=O)C3=C2)=N1	REAL300012106195	0	37	0.0	-40.66	314.80	-0.36	-41.02
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2C(=O)NC3=C(F)C=CC=C32)=N1	REAL300012106196	0	36	0.0	-41.43	313.52	1.99	-39.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=C(Br)C=C3)=NS2)=N1	REAL300012106197	0	34	0.0	-37.03	330.29	4.27	-32.76
COC1=CC=CC(CC(C)CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106198	0	44	0.0	-38.18	355.25	4.27	-33.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CCCC(C(F)(F)F)O2)=N1	REAL300012106199	0	38	0.0	-40.52	315.67	2.10	-38.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@H]2CC[C@H](NC3=CN=CC=N3)CC2)=N1	REAL300012106200	0	44	0.0	-39.06	353.19	1.65	-37.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@H]2CC[C@H](NC3=NC=CC=N3)CC2)=N1	REAL300012106201	0	44	0.0	-38.16	356.68	4.31	-33.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CS(=O)(=O)CC(=O)N2)=N1	REAL300012106202	0	32	0.0	-47.63	286.84	-5.06	-52.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(Br)C=C3C(=O)O2)=N1	REAL300012106203	0	33	0.0	-43.86	316.15	4.29	-39.57
CC1=C(C)C2=NC(C3=CN(C)N=C3)=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2C=C1	REAL300012106204	0	49	0.0	-39.29	401.99	5.36	-33.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC=C(Br)C=N2)=N1	REAL300012106205	0	26	0.0	-35.70	258.39	0.23	-35.47
C[NH+](C)CCOC1=CC=C(CCC2=NC([C@@H](N)CC(=O)[O-])=NO2)C=C1	REAL300012106206	1	49	0.0	-73.80	397.46	5.26	-68.54
COC(=O)C1=CC=CN(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1=O	REAL300012106207	0	37	0.0	-49.28	325.14	2.96	-46.32
CN1N=C(C(F)(F)F)C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CN=C21	REAL300012106208	0	36	0.0	-37.16	330.49	2.48	-34.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(CCC3=CC=CC=C3)CC2)=N1	REAL300012106209	0	41	0.0	-34.80	335.64	6.95	-27.85
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2S(=O)C(F)(F)F)=N1	REAL300012106210	0	33	0.0	-44.22	306.31	3.25	-40.97
CC1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCOC2=CC=CC=C21	REAL300012106211	0	39	0.0	-34.89	311.00	3.81	-31.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(C3=CC=CC=C3Cl)S2)=N1	REAL300012106212	0	39	0.0	-36.37	363.25	6.84	-29.53
CSC1=CC=C([N+](=O)[O-])C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106213	0	34	0.0	-39.81	310.22	3.92	-35.89
CCOC(=O)NC1=CC=C(F)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106214	0	39	0.0	-39.01	340.07	1.91	-37.10
CN1C=C(N2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC2=O)C=N1	REAL300012106215	0	42	0.0	-46.14	343.08	1.67	-44.47
CCOC(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Cl)=C1	REAL300012106216	0	39	0.0	-38.12	347.85	1.92	-36.20
COC(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Cl)=C1	REAL300012106217	0	36	0.0	-37.46	325.99	1.00	-36.46
CC(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Cl	REAL300012106218	0	35	0.0	-37.35	316.54	1.92	-35.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CC(=O)NC3=CC=CC=C32)=N1	REAL300012106219	0	39	0.0	-38.36	323.37	1.96	-36.40
COC(=O)NC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1F	REAL300012106220	0	36	0.0	-37.26	319.31	0.76	-36.50
COC(=O)C1CCCN(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1=O	REAL300012106221	0	41	0.0	-40.63	340.95	2.37	-38.26
CC1=C(Br)OC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106222	0	28	0.0	-35.84	270.28	1.77	-34.07
COC(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C1	REAL300012106223	0	39	0.0	-38.55	328.64	1.09	-37.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=C2)NC(=O)N3CC2CC2)=N1	REAL300012106224	0	42	0.0	-40.48	357.92	3.80	-36.68
CC1=C(Br)C=C(F)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106225	0	31	0.0	-33.89	286.31	3.45	-30.44
CNC(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106226	0	37	0.0	-39.76	317.63	-0.07	-39.83
CCOC(=O)NC1=CC=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106227	0	39	0.0	-38.12	347.91	2.72	-35.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2C(=O)NC3=C(Br)C=CC=C32)=N1	REAL300012106228	0	36	0.0	-40.54	328.05	2.54	-38.00
CC1=NN(CC(F)F)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106229	0	34	0.0	-39.46	302.02	1.84	-37.62
CC(C)CN1C=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1=O	REAL300012106230	0	40	0.0	-43.36	329.41	4.23	-39.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC(Br)=C3C=CC=CN23)=N1	REAL300012106231	0	31	0.0	-41.42	293.43	3.26	-38.16
CC(C)(C)CC1=CC=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106232	0	43	0.0	-33.85	329.82	4.88	-28.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C4OCOC4=C3)CC2)=N1	REAL300012106233	0	38	0.0	-40.35	316.31	3.67	-36.68
CC1=C2NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC2=C(Br)C=C1	REAL300012106234	0	35	0.0	-36.18	320.83	3.47	-32.71
CC(C)(C)C1=CC=C2NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC2=C1	REAL300012106235	0	44	0.0	-34.46	354.59	4.53	-29.93
CC1=CC=C2NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC2=C1Br	REAL300012106236	0	35	0.0	-35.36	317.71	3.40	-31.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CNC3=CN=C(Cl)C=C23)=N1	REAL300012106237	0	34	0.0	-41.39	311.90	1.84	-39.55
CC1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)OC2=C(F)C=C1	REAL300012106238	0	34	0.0	-39.79	302.25	3.49	-36.30
CC1=C(C)N2N=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2C=C1	REAL300012106239	0	37	0.0	-38.02	312.42	3.25	-34.77
CC(C)(C)C1=CC=C(CSCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106240	0	47	0.0	-37.38	389.31	6.78	-30.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC=C3)=CC=N2)=N1	REAL300012106241	0	37	0.0	-37.59	316.43	3.94	-33.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3C=COC3=C(Cl)C=C2)=N1	REAL300012106242	0	31	0.0	-36.45	288.51	3.18	-33.27
CC1=CC(I)=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106243	0	31	0.0	-34.35	295.66	4.17	-30.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=CC(C(F)(F)F)=N3)C=C2)=N1	REAL300012106244	0	41	0.0	-40.40	371.63	5.07	-35.33
COC1=CC=C(C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NN2C)C=C1OC	REAL300012106245	0	46	0.0	-41.47	381.53	2.43	-39.04
CC1C[N@H+](CC2=CC=CC=C2)CC1C1=NC([C@@H](N)CC(=O)[O-])=NO1	REAL300012106246	1	46	0.0	-78.02	370.30	5.58	-72.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1C1=NC([C@@H](N)CC(=O)[O-])=NO1	REAL300012106246	1	46	0.0	-76.78	370.18	5.57	-71.21
COCCCOC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1C	REAL300012106247	0	45	0.0	-36.16	367.02	3.04	-33.12
COC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1C(F)(F)F	REAL300012106248	0	38	0.0	-34.77	326.37	3.76	-31.01
CC1=CC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C(C3=CC=CO3)N=C2C=C1	REAL300012106249	0	43	0.0	-37.80	365.97	5.03	-32.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN3N=CC(Br)=C3C=C2)=N1	REAL300012106250	0	31	0.0	-37.27	295.34	2.81	-34.46
CCC1=CC=C(Br)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106251	0	34	0.0	-34.56	302.84	4.16	-30.40
COC1=CC(Br)=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106252	0	32	0.0	-34.51	297.25	2.33	-32.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3C(Br)=CC=CN3N=C2)=N1	REAL300012106253	0	31	0.0	-39.19	289.06	2.49	-36.70
CN1C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC2=CC(Br)=CN=C21	REAL300012106254	0	34	0.0	-36.06	313.53	3.58	-32.48
CN1C=C(Br)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC1=O	REAL300012106255	0	31	0.0	-40.68	287.79	1.63	-39.05
CC(C)C1=NC=C(Br)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012106256	0	35	0.0	-34.47	316.28	2.91	-31.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC(F)=CC=C2[N+](=O)[O-])=N1	REAL300012106257	0	36	0.0	-37.28	315.95	4.35	-32.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=C(Cl)C=CC=C2[N+](=O)[O-])=N1	REAL300012106258	0	36	0.0	-39.08	323.77	4.71	-34.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC(C3CC3)=NC=C2Br)=N1	REAL300012106259	0	33	0.0	-34.75	305.31	3.40	-31.35
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=C(C(F)F)C=C2C(F)F)=N1	REAL300012106260	0	34	0.0	-41.77	313.74	1.81	-39.96
CN(CCCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C(=O)C1=CC=NC=C1	REAL300012106261	0	43	0.0	-45.82	355.76	2.30	-43.52
COC1=CC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C(C)N=C2C=C1	REAL300012106262	0	40	0.0	-37.28	335.82	2.88	-34.40
CC1=CC=C(Br)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012106263	0	30	0.0	-37.01	279.56	1.54	-35.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC(F)F)C=C2F)=N1	REAL300012106264	0	32	0.0	-35.94	290.17	2.01	-33.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=NN2C2=CC=CC(Cl)=C2Cl)=N1	REAL300012106265	0	34	0.0	-39.64	327.13	3.00	-36.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2CC3=C(C=NN3C3=CC=CC=C3)C2=O)=N1	REAL300012106266	0	43	0.0	-46.57	371.73	3.68	-42.89
CC1=CC=CC=C1C1=CC=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106267	0	41	0.0	-34.75	334.98	6.02	-28.73
CC1=CC2=CC=C(C)C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2C=C1	REAL300012106268	0	40	0.0	-35.54	328.47	5.96	-29.58
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(OC(F)(F)F)=C1	REAL300012106269	0	35	0.0	-34.38	311.67	3.68	-30.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC(C3=CC=CO3)=C2)=N1	REAL300012106270	0	34	0.0	-37.47	303.40	2.41	-35.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(C(F)(F)F)=N2)=N1	REAL300012106271	0	29	0.0	-36.10	276.22	-0.26	-36.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=C(C(F)(F)F)C3=C2CCCC3)=N1	REAL300012106272	0	41	0.0	-40.41	349.94	3.54	-36.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=C(C(F)(F)F)C=C2F)=N1	REAL300012106273	0	31	0.0	-34.52	306.38	3.93	-30.59
CN1C(=O)CCC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C21	REAL300012106274	0	39	0.0	-39.76	322.33	3.29	-36.47
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CN=C1Br	REAL300012106275	0	30	0.0	-36.55	281.14	1.71	-34.84
CCCOC1=NC2=CC=CC=C2C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106276	0	43	0.0	-36.15	361.05	3.83	-32.32
CC1=CC=C2CC(C)(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)OC(=O)C2=C1	REAL300012106277	0	41	0.0	-46.72	341.21	4.35	-42.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=CN=C2C2CC2)=N1	REAL300012106278	0	34	0.0	-34.12	309.02	3.36	-30.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(N3C=C(Br)C=N3)CC2)=N1	REAL300012106279	0	32	0.0	-36.11	297.20	2.82	-33.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC(C3=CC=CC=N3)=N2)=N1	REAL300012106280	0	35	0.0	-43.89	312.14	1.73	-42.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(NC3=NC=CS3)=C2)=N1	REAL300012106281	0	36	0.0	-37.22	321.68	2.84	-34.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CNC(=O)C(C(F)(F)F)=C2)=N1	REAL300012106282	0	31	0.0	-44.53	288.10	0.40	-44.13
CCSC1=CNC(=O)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106283	0	35	0.0	-42.76	310.94	1.53	-41.23
CC12CC3CC(Br)(C1)CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)(C3)C2	REAL300012106284	0	45	0.0	-34.68	351.30	5.26	-29.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=CC=C3OC2C(F)F)=N1	REAL300012106285	0	37	0.0	-35.95	324.53	3.82	-32.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC(C(F)(F)F)=N2)=N1	REAL300012106286	0	33	0.0	-44.16	302.59	2.32	-41.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=CN=C2Br)=N1	REAL300012106287	0	27	0.0	-35.33	279.03	2.55	-32.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(=O)NC3=C2CCCC3)=N1	REAL300012106288	0	38	0.0	-40.77	308.13	1.52	-39.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2CC[C@H](CN3CCOCC3)O2)=N1	REAL300012106289	0	45	0.0	-37.45	353.42	-1.10	-38.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=C(OC3=CC=CC=C3)C(F)=C2)=N1	REAL300012106290	0	39	0.0	-38.23	349.28	5.48	-32.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3N=C(C(F)F)NC3=CC=C2)=N1	REAL300012106291	0	34	0.0	-40.05	306.79	2.19	-37.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(=O)NC=C2Br)=N1	REAL300012106292	0	28	0.0	-39.94	267.56	0.70	-39.24
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Br)=NN1	REAL300012106293	0	28	0.0	-38.23	264.91	0.13	-38.10
CC1=CC(C(F)(F)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CN=C1Cl	REAL300012106294	0	33	0.0	-35.81	309.12	2.46	-33.35
C[C@@H](NC(=O)CN1C=NN=N1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106295	0	36	0.0	-55.25	317.23	-1.18	-56.43
CC(C)C1CCC2=C(C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C(=O)N2)C1	REAL300012106296	0	47	0.0	-42.17	368.44	3.84	-38.33
CC1=NN(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=NC=CC=C12	REAL300012106297	0	36	0.0	-39.97	313.59	2.34	-37.63
CCCOC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(F)C=C1C	REAL300012106298	0	44	0.0	-35.04	366.65	4.60	-30.44
N[C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C[NH+]3CCCCC3)O2)=N1	REAL300012106299	1	43	0.0	-75.07	348.15	4.08	-70.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(C(F)(F)F)C=C3NC2=O)=N1	REAL300012106300	0	37	0.0	-44.49	335.33	2.83	-41.66
C[C@H](NC(=O)CN1C=NN=N1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106301	0	36	0.0	-53.96	317.22	-1.20	-55.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2C(=O)NC3=CC=C(Br)C=C32)=N1	REAL300012106302	0	36	0.0	-38.94	327.91	2.71	-36.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2COC3=C(F)C=C(F)C=C3C2)=N1	REAL300012106303	0	36	0.0	-38.08	312.59	3.01	-35.07
COC1=CC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(OC)=C1	REAL300012106304	0	39	0.0	-38.73	327.41	1.72	-37.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C3=CC=CC=C3)=N2)=N1	REAL300012106305	0	37	0.0	-39.65	318.66	4.14	-35.51
CC1=C2NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC2=CC=C1[N+](=O)[O-]	REAL300012106306	0	37	0.0	-39.77	321.92	3.40	-36.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(Br)C=C(F)C=C3N2)=N1	REAL300012106307	0	32	0.0	-34.93	306.07	2.88	-32.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(CCC2=CC=CC=C2)CC2=CC=CC=C2)=N1	REAL300012106308	0	50	0.0	-36.78	408.20	8.73	-28.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCCCCCCC2CC2)=N1	REAL300012106309	0	49	0.0	-34.48	390.60	7.13	-27.35
COC1=C2C=CSC2=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106310	0	35	0.0	-35.55	310.21	3.02	-32.53
CC1CCN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C1	REAL300012106311	0	43	0.0	-33.98	341.21	3.39	-30.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=C2)CCS3(=O)=O)=N1	REAL300012106312	0	35	0.0	-45.86	310.85	0.28	-45.58
CN1N=CC2=C1C=C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C(=O)N2	REAL300012106313	0	34	0.0	-43.66	299.33	-0.55	-44.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC=C2C2=CC=CC=C2)=N1	REAL300012106314	0	34	0.0	-37.88	301.26	3.31	-34.57
CC(CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(Br)C=C1	REAL300012106315	0	40	0.0	-37.52	346.98	5.66	-31.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COCC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300012106316	0	38	0.0	-40.08	341.17	3.41	-36.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(Cl)C=C3S2)=N1	REAL300012106317	0	31	0.0	-35.64	300.81	4.30	-31.34
COC1=CC=CC(N2C=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=N2)=C1	REAL300012106318	0	39	0.0	-42.86	335.54	2.73	-40.13
COC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC(F)=CC(F)=C1	REAL300012106319	0	35	0.0	-35.17	313.16	2.31	-32.86
COC1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)NC2=CC(Cl)=C1	REAL300012106320	0	36	0.0	-35.48	324.96	2.02	-33.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC=C3)C=N2)=N1	REAL300012106321	0	37	0.0	-37.98	316.17	3.90	-34.08
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(CC3CCCO3)N=N2)=N1	REAL300012106322	0	38	0.0	-43.11	322.08	-0.07	-43.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN3C=CC(C(F)(F)F)=NC3=N2)=N1	REAL300012106323	0	32	0.0	-44.01	304.90	3.62	-40.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C3OCC(=O)NC3=C2)=N1	REAL300012106324	0	38	0.0	-41.15	328.75	0.82	-40.33
CCC(=O)NC1=CN=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106325	0	37	0.0	-39.39	317.99	0.34	-39.05
COC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(Cl)=C1Cl	REAL300012106326	0	29	0.0	-34.38	302.30	2.16	-32.22
COCC1CCN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)C1	REAL300012106327	0	47	0.0	-35.23	374.70	2.47	-32.76
CC(C)C[C@H](NC(=O)CCCC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106328	0	56	0.0	-40.49	449.58	5.74	-34.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(C(F)F)N2C=CC=N2)=N1	REAL300012106329	0	34	0.0	-39.39	296.02	1.56	-37.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=C(Cl)C=CC=C3Cl)=N2)=N1	REAL300012106330	0	34	0.0	-38.15	334.16	4.26	-33.89
CC1CN2N=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2C(=O)N1	REAL300012106331	0	36	0.0	-40.55	309.01	-1.56	-42.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=C2)C=CS3(=O)=O)=N1	REAL300012106332	0	33	0.0	-43.27	302.41	0.05	-43.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC(Br)=C3CCCCN23)=N1	REAL300012106333	0	35	0.0	-39.31	309.94	2.83	-36.48
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC([N+](=O)[O-])=C1Cl	REAL300012106334	0	34	0.0	-41.19	315.84	2.81	-38.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(CC(F)(F)F)C=C2)=N1	REAL300012106335	0	31	0.0	-42.58	289.38	1.39	-41.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CC=C(OC(F)F)C=C2)=N1	REAL300012106336	0	39	0.0	-38.57	335.28	4.04	-34.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(C(F)F)N2C=CN=C2)=N1	REAL300012106337	0	34	0.0	-39.71	293.33	2.84	-36.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(NC(=O)CC3=CC=CN=C3)C=C2)=N1	REAL300012106338	0	44	0.0	-43.09	377.92	3.32	-39.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN3C=CC=C(Br)C3=C2)=N1	REAL300012106339	0	31	0.0	-38.77	295.91	2.65	-36.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2COC3=CC(Cl)=CC=C3C2)=N1	REAL300012106340	0	36	0.0	-36.72	316.77	3.41	-33.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(F)C3=CC=CN=C23)=N1	REAL300012106341	0	33	0.0	-36.37	291.14	3.12	-33.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC(F)=C(F)C(F)=C3)C=C2)=N1	REAL300012106342	0	35	0.0	-41.34	324.99	3.61	-37.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CC=C(Br)C=C2F)=N1	REAL300012106343	0	35	0.0	-38.69	322.85	5.12	-33.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=CC=C(Cl)C=C3)S2)=N1	REAL300012106344	0	34	0.0	-35.52	328.11	3.84	-31.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(F)(F)F)C(Cl)=C2Cl)=N1	REAL300012106345	0	31	0.0	-35.67	309.13	4.13	-31.54
CN1C=C(C2=NOC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2)C=N1	REAL300012106346	0	36	0.0	-42.06	315.95	0.54	-41.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OCC(F)F)C(Br)=C2)=N1	REAL300012106347	0	35	0.0	-42.42	331.17	3.63	-38.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=C(I)N=N2)=N1	REAL300012106348	0	27	0.0	-46.47	271.51	0.01	-46.46
COC1=CC=C(C(F)(F)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012106349	0	34	0.0	-36.24	305.66	-0.09	-36.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3C=NC=N3)=N2)=N1	REAL300012106350	0	33	0.0	-41.40	297.32	4.12	-37.28
COC1=CC=CC=C1C1=NC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012106351	0	38	0.0	-37.54	338.66	3.05	-34.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@]23CCCC[C@H]2[C@@H]3Br)=N1	REAL300012106352	0	35	0.0	-34.48	297.72	3.67	-30.81
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3N(CCNS3(=O)=O)N=C2)=N1	REAL300012106353	0	34	0.0	-43.87	303.57	-4.51	-48.38
CC1=NC2=C(CCCC2CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)O1	REAL300012106354	0	40	0.0	-38.17	322.88	2.48	-35.69
CCCCCC1=CC=CC(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106355	0	46	0.0	-35.61	375.79	6.88	-28.73
COC1=CC(F)=CC(N2C=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=N2)=C1	REAL300012106356	0	39	0.0	-40.21	341.89	2.80	-37.41
CC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1C(F)(F)F	REAL300012106357	0	34	0.0	-35.40	292.24	3.62	-31.78
CN(C)C1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)SC2=CC=C1	REAL300012106358	0	39	0.0	-34.52	338.44	3.27	-31.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2C3CC2(C2=CC=NC=C2)CC3)=N1	REAL300012106359	0	41	0.0	-38.31	330.31	4.06	-34.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CC=C(F)C=C2F)=N1	REAL300012106360	0	35	0.0	-39.32	307.96	4.57	-34.75
CCC1=NC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=CNC2=N1	REAL300012106361	0	36	0.0	-49.24	309.45	2.05	-47.19
CCC1=NC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=CN=C2N1	REAL300012106361	1	36	0.0	-38.90	310.51	1.83	-37.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3N=C(CC4CC4)N=C3NC=C2)=N1	REAL300012106362	0	40	0.0	-48.92	340.34	3.67	-45.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3N=C(CC4CC4)NC3=NC=C2)=N1	REAL300012106362	1	40	0.0	-38.78	341.82	3.40	-35.38
NS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(Cl)O1	REAL300012106363	0	30	0.0	-42.19	299.96	-3.75	-45.94
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C2CCCCC2=N1	REAL300012106364	0	40	0.0	-35.05	320.33	3.48	-31.57
COC1=CC=C(C2=CC=CC=C2C)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106365	0	45	0.0	-35.84	364.37	5.31	-30.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(CC3=CC=CC=C3)C2=O)=N1	REAL300012106366	0	42	0.0	-44.58	353.39	3.97	-40.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC(F)=CC=C3F)C=C2)=N1	REAL300012106367	0	35	0.0	-38.55	315.77	3.49	-35.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2CS(=O)(=O)CC(=O)N2)=N1	REAL300012106368	0	32	0.0	-49.03	286.82	-5.08	-54.11
CCN1C=C([C@@H]2OCC[C@H]2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012106369	0	42	0.0	-38.48	348.22	1.82	-36.66
COCCN1C=C([C@@H]2OCC[C@H]2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012106370	0	46	0.0	-38.68	381.88	0.87	-37.81
CN1C=C([C@@H]2OCC[C@H]2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012106371	0	39	0.0	-38.78	326.67	0.95	-37.83
CC1=C([C@@H]2OCC[C@H]2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NN1C	REAL300012106372	0	42	0.0	-38.35	344.79	1.38	-36.97
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106373	0	48	0.0	-39.64	380.84	3.28	-36.36
CN1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C1=CC=C(F)C=C1	REAL300012106374	0	38	0.0	-38.82	329.29	3.29	-35.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)N(CC3=CC=CC=C3F)C2)=N1	REAL300012106375	0	42	0.0	-39.83	354.02	3.86	-35.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC23C(=O)NC2=CC=CC=C23)=N1	REAL300012106376	0	37	0.0	-40.93	316.35	2.94	-37.99
CN1N=CC=C1[C@@H]1OCCC[C@H]1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106377	0	42	0.0	-39.62	337.69	1.75	-37.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2CCCO[C@H]2C2=CC=C(Cl)C=C2Cl)=N1	REAL300012106378	0	42	0.0	-35.50	362.30	4.58	-30.92
CC(C)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(C(C)C)O1	REAL300012106379	0	43	0.0	-33.98	352.24	4.69	-29.29
COC1=CC=C(N2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=N2)C=C1	REAL300012106380	0	38	0.0	-43.05	330.44	1.40	-41.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=NN=C2C2=CC=CC=C2)=N1	REAL300012106381	0	36	0.0	-45.02	309.56	1.80	-43.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CC3=CC(C(F)(F)F)=CC=C3O2)=N1	REAL300012106382	0	39	0.0	-40.64	342.91	4.10	-36.54
COC(=O)C1=CC2=C(C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)O2)N1	REAL300012106383	0	35	0.0	-40.03	315.62	1.04	-38.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=CC=CC=N3)N=C2)=N1	REAL300012106384	0	35	0.0	-39.97	311.71	1.85	-38.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC2C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012106385	0	37	0.0	-42.53	324.26	5.13	-37.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(F)C(C(F)F)=C2)=N1	REAL300012106386	0	31	0.0	-35.29	285.65	3.37	-31.92
CS(=O)(=O)C1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106387	0	40	0.0	-44.16	350.59	1.42	-42.74
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1Br	REAL300012106388	0	38	0.0	-40.61	345.28	4.70	-35.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(F)F)C(F)=C2)=N1	REAL300012106389	0	31	0.0	-35.43	285.65	3.38	-32.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3CCCCC3)=C2)=N1	REAL300012106390	0	41	0.0	-33.03	341.80	5.39	-27.64
CC(C)(C)CC1=NC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012106391	0	39	0.0	-34.61	330.11	2.87	-31.74
COC(=O)C1=CC=C(C)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106392	0	37	0.0	-39.48	316.57	3.52	-35.96
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106393	0	45	0.0	-39.86	363.49	2.62	-37.24
CCOC1=CC=C(Br)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1F	REAL300012106394	0	35	0.0	-36.48	318.18	4.07	-32.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(Br)O2)=N1	REAL300012106395	0	29	0.0	-36.55	282.39	2.48	-34.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(F)(F)C2=CC=CC(Br)=C2)=N1	REAL300012106396	0	31	0.0	-34.19	299.77	3.84	-30.35
CSC1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106397	0	38	0.0	-37.00	330.12	4.93	-32.07
CP(C)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106398	0	37	0.0	-40.23	326.49	1.99	-38.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=CC(Br)=C2F)=N1	REAL300012106399	0	28	0.0	-35.49	277.98	3.44	-32.05
CC1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)NC2=C(Br)C=C1	REAL300012106400	0	35	0.0	-35.70	320.78	3.45	-32.25
CS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012106401	0	33	0.0	-45.97	303.22	-1.98	-47.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN3CCCCC(=O)C3=C2)=N1	REAL300012106402	0	37	0.0	-39.35	312.03	1.61	-37.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(F)C(F)=C3)C=C2)=N1	REAL300012106403	0	35	0.0	-43.66	318.70	3.55	-40.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(CC3=CC=CC(C(F)(F)F)=C3)=N2)=N1	REAL300012106404	0	40	0.0	-42.30	373.67	4.79	-37.51
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(I)C=C1	REAL300012106405	0	34	0.0	-34.65	312.67	4.60	-30.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC3=C2CCCCC3)=N1	REAL300012106406	0	41	0.0	-33.73	318.28	5.03	-28.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=NN(CC(F)(F)F)C=C2)=N1	REAL300012106407	0	34	0.0	-43.15	310.62	2.17	-40.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC=CC3=C(Br)C=CC=C23)=N1	REAL300012106408	0	33	0.0	-37.05	301.06	3.08	-33.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC=C2N2CCOCC2)=N1	REAL300012106409	0	40	0.0	-35.52	327.18	0.34	-35.18
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C(F)C1=CC=CC=C1	REAL300012106410	0	40	0.0	-34.14	324.39	4.54	-29.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C3OCCCC3=C2)=N1	REAL300012106411	0	42	0.0	-37.27	343.61	4.53	-32.74
CC1=NN(C2=CC=CC=C2)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106412	0	38	0.0	-37.45	323.96	3.72	-33.73
CN1N=C(C2=CC=C(F)C=C2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106413	0	38	0.0	-37.60	332.20	3.48	-34.12
CC(C)(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)NC(=O)OCC1=CC=CC=C1	REAL300012106414	0	48	0.0	-41.53	389.93	2.95	-38.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=C(Br)SC=C2)=N1	REAL300012106415	0	28	0.0	-36.51	277.70	2.80	-33.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3CC(=O)C3)C=C2)=N1	REAL300012106416	0	37	0.0	-38.86	314.93	4.12	-34.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=NNC3=CC=CC=C32)=N1	REAL300012106417	0	37	0.0	-38.76	317.00	2.50	-36.26
CCCOC1=CC=C2NC=C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=C1	REAL300012106418	0	45	0.0	-38.62	373.22	4.19	-34.43
CS(=O)(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Cl)=C1	REAL300012106419	0	36	0.0	-43.72	336.00	-0.62	-44.34
COC(=O)C1=C2CCCCN2C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106420	0	42	0.0	-38.13	347.23	3.95	-34.18
CC1=C(C)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(C(F)(F)F)O1	REAL300012106421	0	34	0.0	-36.24	302.01	3.90	-32.34
COC1=CN(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=CC1=O	REAL300012106422	0	38	0.0	-58.14	318.20	2.28	-55.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(Cl)C(Cl)=C3NC2=O)=N1	REAL300012106423	0	34	0.0	-45.61	325.83	2.87	-42.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(CC2=CC=CC=C2)C2CC2)=N1	REAL300012106424	0	41	0.0	-34.59	332.48	5.55	-29.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=CC=C2C2=CC=CC=C2)=N1	REAL300012106425	0	38	0.0	-38.35	324.06	3.61	-34.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(C3=CC=CN=C3)=N2)=N1	REAL300012106426	0	33	0.0	-40.74	306.47	1.30	-39.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C3=CC=CC=C3F)OC=N2)=N1	REAL300012106427	0	34	0.0	-39.61	305.00	0.58	-39.03
CC1=CC=C(OCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Cl)=C1	REAL300012106428	0	38	0.0	-36.52	335.81	3.94	-32.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC(F)(F)F)C=C2F)=N1	REAL300012106429	0	32	0.0	-33.75	296.91	2.23	-31.52
CN(C)C1=NC=C(Br)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012106430	0	34	0.0	-36.40	310.12	3.15	-33.25
CC1=CN=C2C(=C1)C=NN2CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106431	0	36	0.0	-39.35	313.04	2.38	-36.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=C(Br)C=N3)C=C2)=N1	REAL300012106432	0	38	0.0	-37.84	351.96	4.69	-33.15
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=C([N+](=O)[O-])C=N3)C=C2)=N1	REAL300012106433	0	40	0.0	-42.81	360.44	4.80	-38.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(CC3CCCCO3)N=C2)=N1	REAL300012106434	0	42	0.0	-37.87	346.51	2.11	-35.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC=C3Br)N=C2)=N1	REAL300012106435	0	35	0.0	-39.87	321.68	4.44	-35.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC3=C2CCCCCC3)=N1	REAL300012106436	0	41	0.0	-33.23	322.20	4.69	-28.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=NC([N+](=O)[O-])=N3)C=C2)=N1	REAL300012106437	0	39	0.0	-47.43	355.77	7.80	-39.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3CCNC(=O)C3=C2)=N1	REAL300012106438	0	36	0.0	-40.84	306.07	0.88	-39.96
CC1(C)CCC2=C(C1)SC=C2C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106439	0	41	0.0	-33.08	332.71	4.76	-28.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN3C=C(Br)C=CC3=C2)=N1	REAL300012106440	0	31	0.0	-38.06	296.20	2.67	-35.39
CC(C)C1CCC2=C(C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)C1	REAL300012106441	0	44	0.0	-33.45	356.49	5.77	-27.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3CCC(=O)NC3=C2)=N1	REAL300012106442	0	36	0.0	-39.45	306.31	1.61	-37.84
CC1=NN(C2=CC=C(F)C=C2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106443	0	38	0.0	-37.23	331.04	4.14	-33.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CS3)CC3(CCC3)C2)=N1	REAL300012106444	0	42	0.0	-33.02	347.12	5.96	-27.06
CC1=CC=CN2C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CN=C12	REAL300012106445	0	37	0.0	-42.30	316.36	4.11	-38.19
CS(=O)(=O)C1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106446	0	37	0.0	-46.82	329.10	0.63	-46.19
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=CC=C2)=CO1	REAL300012106447	0	38	0.0	-35.15	326.06	4.99	-30.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(Br)C=N3)CCC2)=N1	REAL300012106448	0	37	0.0	-35.12	328.26	3.94	-31.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)C=CC=C2OCC2CC2)=N1	REAL300012106449	0	39	0.0	-35.99	339.67	6.17	-29.82
CC(C)COC1=CC=C(Cl)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106450	0	41	0.0	-34.69	353.95	5.41	-29.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C3OC(=O)NC3=C2)=N1	REAL300012106451	0	34	0.0	-45.66	300.20	0.61	-45.05
CC(C)(C)CN1C(=O)NC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=CC=C21	REAL300012106452	0	47	0.0	-40.57	374.71	3.73	-36.84
C=CCCCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106453	0	41	0.0	-34.00	345.17	5.99	-28.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3)C(C(F)(F)F)=C2)=N1	REAL300012106454	0	38	0.0	-37.27	339.47	4.05	-33.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C(=O)N3CCCCC3)=C2)=N1	REAL300012106455	0	45	0.0	-40.15	362.60	4.38	-35.77
CCCCCCCSC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106456	0	50	0.0	-33.92	415.59	8.20	-25.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC3(CC3(F)F)CC2)=N1	REAL300012106457	0	38	0.0	-36.63	314.50	4.06	-32.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2CCCC3(CC3)S2(=O)=O)=N1	REAL300012106458	0	40	0.0	-46.15	336.50	0.02	-46.13
CN1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Cl)=C1Cl	REAL300012106459	0	28	0.0	-35.60	281.27	0.82	-34.78
CC1=CC(C)=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)SC2=N1	REAL300012106460	0	36	0.0	-38.57	320.21	3.12	-35.45
CN(C)S(=O)(=O)N1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012106461	0	44	0.0	-41.99	361.24	-0.64	-42.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CN=CC(Br)=C2)=N1	REAL300012106462	0	33	0.0	-37.55	306.08	2.72	-34.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=CC(OC(F)F)=C2)=N1	REAL300012106463	0	32	0.0	-37.21	292.12	2.07	-35.14
CCCCCCCCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106464	0	52	0.0	-33.49	418.35	8.55	-24.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2C3CC2(C2=CC=CN=C2)CC3)=N1	REAL300012106465	0	41	0.0	-37.22	323.43	4.71	-32.51
CC(C)(C)C1=CN=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106466	0	39	0.0	-36.04	330.49	4.00	-32.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=C(F)C=CC=C3F)=NO2)=N1	REAL300012106467	0	34	0.0	-39.43	309.77	3.53	-35.90
CCCCNC(=O)CSC1=CC=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106468	0	47	0.0	-43.80	406.24	2.31	-41.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3=CC=CC=C3Cl)N=C2C2CC2)=N1	REAL300012106469	0	43	0.0	-36.82	369.27	6.55	-30.27
CN1N=C(C2CCOCC2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106470	0	42	0.0	-36.65	340.84	1.20	-35.45
CC1=CN(C2=CC=CC=C2F)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106471	0	38	0.0	-43.44	328.93	4.16	-39.28
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1F	REAL300012106472	0	38	0.0	-42.88	333.02	4.06	-38.82
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=CC=CC=C2C1=O	REAL300012106473	0	36	0.0	-38.68	308.49	3.07	-35.61
CN(C)C(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012106474	0	37	0.0	-39.37	315.49	1.55	-37.82
CNC(=O)NC1=CC=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106475	0	37	0.0	-40.60	330.09	1.10	-39.50
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC(F)F	REAL300012106476	0	35	0.0	-36.39	305.76	2.74	-33.65
CN1C=C(Br)C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012106477	0	31	0.0	-37.83	292.15	1.39	-36.44
CCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC2=CC=CC=C21	REAL300012106478	0	37	0.0	-35.31	320.32	4.99	-30.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=CC3=CC(Br)=CC=C32)=N1	REAL300012106479	0	35	0.0	-40.45	322.58	4.99	-35.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN3C=CC=C(Br)C3=N2)=N1	REAL300012106480	0	30	0.0	-42.65	290.83	2.50	-40.15
COC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C1	REAL300012106481	0	39	0.0	-36.57	324.96	3.41	-33.16
COC(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C1	REAL300012106482	0	37	0.0	-36.93	316.51	3.54	-33.39
COC(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Cl)=C1	REAL300012106483	0	34	0.0	-36.89	313.57	3.44	-33.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3CC3)=NC3=CC=NN32)=N1	REAL300012106484	0	37	0.0	-38.34	320.37	3.60	-34.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)N(C3=CC=CC=C3)N=C2)=N1	REAL300012106485	0	35	0.0	-35.87	319.51	3.81	-32.06
CN1CC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C2NC1=O	REAL300012106486	0	38	0.0	-40.90	320.83	1.59	-39.31
CC(F)(F)C1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCOCC1	REAL300012106487	0	38	0.0	-34.54	298.32	1.79	-32.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3CCCCO3)CCCO2)=N1	REAL300012106488	0	43	0.0	-34.56	331.75	1.17	-33.39
CC1=CC=CC(C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2CCCCC2)=C1	REAL300012106489	0	50	0.0	-33.10	386.41	7.16	-25.94
CN1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=CC(F)=C2)=N1	REAL300012106490	0	38	0.0	-38.33	330.34	3.53	-34.80
CS(=O)(=O)C1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=CS1	REAL300012106491	0	31	0.0	-39.53	289.50	-0.57	-40.10
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CSC=C2)=NO1	REAL300012106492	0	34	0.0	-35.85	306.58	3.39	-32.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(Cl)C3=CC=CN=C23)=N1	REAL300012106493	0	36	0.0	-37.47	322.87	4.07	-33.40
CCC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC(Cl)=C1	REAL300012106494	0	37	0.0	-35.10	321.75	4.68	-30.42
CC1=CC=C2SC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=C1	REAL300012106495	0	36	0.0	-36.46	313.33	4.60	-31.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(C3CCC3)C=C2)=N1	REAL300012106496	0	41	0.0	-35.69	334.17	5.70	-29.99
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C(F)(F)F)OC3=CC=CC=C32)=N1	REAL300012106497	0	34	0.0	-36.22	308.94	4.95	-31.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3CNC(=O)NC3=C2)=N1	REAL300012106498	0	35	0.0	-40.91	300.79	-0.50	-41.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2C3CC2(C2=CC=CC=N2)CC3)=N1	REAL300012106499	0	41	0.0	-35.07	326.07	4.75	-30.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN3C=C(Br)C=CC3=N2)=N1	REAL300012106500	0	30	0.0	-38.26	290.78	2.55	-35.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(COC3=CC=CC=C3)=N2)=N1	REAL300012106501	0	38	0.0	-40.36	343.08	2.59	-37.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(Br)C(F)=C3N2)=N1	REAL300012106502	0	32	0.0	-37.54	305.62	2.86	-34.68
CC1=C(Cl)C=C2NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC2=C1	REAL300012106503	0	35	0.0	-35.38	313.99	3.30	-32.08
COC1=CC=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N(C)C2=C1	REAL300012106504	0	39	0.0	-36.55	326.59	3.06	-33.49
NC(=O)CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)NC2=CC=CC=C21	REAL300012106505	0	39	0.0	-40.84	334.46	-0.44	-41.28
CN1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C(F)(F)F	REAL300012106506	0	31	0.0	-36.32	288.17	0.84	-35.48
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3CC3(F)F)N=C2)=N1	REAL300012106507	0	32	0.0	-36.52	289.96	1.79	-34.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC(C(F)(F)F)=C2[N+](=O)[O-])=N1	REAL300012106508	0	32	0.0	-41.97	306.43	2.60	-39.37
CC(C)C1=NC(C2=CC=CC=C2Cl)=NC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106509	0	45	0.0	-37.17	387.36	6.42	-30.75
CC1=CC=C(C)C(C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)C)=C1	REAL300012106510	0	46	0.0	-33.06	362.43	5.83	-27.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C3CCCC3)ON=C2C2=CC=CC=C2)=N1	REAL300012106511	0	47	0.0	-36.30	381.16	7.79	-28.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3CCOC3)S2)=N1	REAL300012106512	0	35	0.0	-36.41	309.90	0.50	-35.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COCCC2=CC=C(Cl)S2)=N1	REAL300012106513	0	35	0.0	-36.95	331.21	2.89	-34.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2N=C(C(F)(F)F)C3=C2CCC3)=N1	REAL300012106514	0	38	0.0	-40.65	336.65	3.18	-37.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=C(F)C=C3)=CS2)=N1	REAL300012106515	0	35	0.0	-36.50	319.02	4.96	-31.54
CN1C=CC(C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NO2)=N1	REAL300012106516	0	34	0.0	-39.15	306.99	1.20	-37.95
CC1=CC(Br)=CC(C)=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106517	0	37	0.0	-36.96	322.21	4.70	-32.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN3C=CC=C(Br)C3=N2)=N1	REAL300012106518	0	31	0.0	-44.22	295.40	3.42	-40.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2[C@H]3C[C@]2(C2=CC=CC=C2)CC3)=N1	REAL300012106519	0	42	0.0	-35.27	330.32	5.63	-29.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3CCCC(=O)N3)C=C2)=N1	REAL300012106520	0	42	0.0	-40.82	347.50	2.82	-38.00
CC1=C(C)C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C2N=N1	REAL300012106521	0	38	0.0	-40.99	317.97	2.76	-38.23
CC1OC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2C1C	REAL300012106522	0	39	0.0	-35.12	319.77	3.53	-31.59
CN1C=C(C(F)(F)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=CC1=O	REAL300012106523	0	34	0.0	-41.74	301.66	1.92	-39.82
COC1=CC=C2C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CNC2=C1	REAL300012106524	0	39	0.0	-39.88	329.74	2.46	-37.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CN(CC3=CC=CC=C3)N=C2)=N1	REAL300012106525	0	41	0.0	-41.64	352.66	4.76	-36.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(Cl)C=C2Br)=N1	REAL300012106526	0	34	0.0	-36.54	323.87	4.89	-31.65
CC(C)C1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=CC=C2)=NO1	REAL300012106527	0	43	0.0	-36.74	357.51	6.49	-30.25
CC1=CC=CC=C1C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1CCCC1	REAL300012106528	0	47	0.0	-32.96	365.99	6.50	-26.46
NS(=O)(=O)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Br)=C1	REAL300012106529	0	33	0.0	-40.59	321.93	-2.00	-42.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(F)C3=CC=CN=C3C(Cl)=C2)=N1	REAL300012106530	0	33	0.0	-36.98	307.31	3.40	-33.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(C(F)F)O2)=N1	REAL300012106531	0	32	0.0	-38.46	295.30	2.84	-35.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(C=C2Cl)NC(=O)CO3)=N1	REAL300012106532	0	34	0.0	-38.84	309.51	0.83	-38.01
CC1=C(OC(F)(F)F)C=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106533	0	35	0.0	-34.17	306.47	2.74	-31.43
CC1=CC(Br)=CN=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106534	0	30	0.0	-36.39	278.55	1.57	-34.82
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC(C(F)(F)F)=C1	REAL300012106535	0	37	0.0	-35.86	323.93	4.52	-31.34
COC1=NC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C(F)(F)F	REAL300012106536	0	34	0.0	-36.45	311.24	0.22	-36.23
COCCC1=NC(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)=NO1	REAL300012106537	0	43	0.0	-37.32	373.84	1.58	-35.74
CC1=CC=CC=C1N1N=CC=C1[C@@H]1OCC[C@H]1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106538	0	49	0.0	-40.58	396.20	5.11	-35.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(CC3CC(=O)C3)N=N2)=N1	REAL300012106539	0	36	0.0	-49.97	315.91	0.82	-49.15
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN3C(=C2)N=CC=C3C(F)F)=N1	REAL300012106540	0	33	0.0	-40.63	302.47	1.96	-38.67
CC1(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)CC1(F)F	REAL300012106541	0	38	0.0	-36.15	324.33	5.03	-31.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(Br)C=C3C(=O)N2)=N1	REAL300012106542	0	34	0.0	-42.68	318.49	2.18	-40.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(C=C(Cl)S3)S2)=N1	REAL300012106543	0	28	0.0	-33.92	291.25	3.49	-30.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(CCCC3)N=C2Cl)=N1	REAL300012106544	0	37	0.0	-37.01	317.03	4.17	-32.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(F)(F)F)C(Cl)=C2)=N1	REAL300012106545	0	31	0.0	-35.71	298.29	3.83	-31.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3N=C(C4CC4)C=C(C(F)F)N3N=C2)=N1	REAL300012106546	0	40	0.0	-38.32	354.67	4.42	-33.90
CC1CCCN2C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CN=C12	REAL300012106547	0	41	0.0	-40.41	331.63	3.68	-36.73
COC(=O)C1CC2(C1)CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2	REAL300012106548	0	41	0.0	-38.12	338.85	3.91	-34.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C3OCC(=O)NC3=C2)=N1	REAL300012106549	0	40	0.0	-41.20	340.66	1.13	-40.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSCCC(F)(F)F)=N1	REAL300012106550	0	31	0.0	-37.29	292.82	2.61	-34.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(Cl)C=C3OC2)=N1	REAL300012106551	0	34	0.0	-35.34	309.01	3.43	-31.91
CS(=O)(=O)C1CCCC1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106552	0	37	0.0	-43.99	302.94	0.36	-43.63
CC1=CC=CC=C1C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1CCCCC1	REAL300012106553	0	50	0.0	-33.66	382.23	7.03	-26.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(CC3=CC=CC=C3)CCC3=CC=CC=C32)=N1	REAL300012106554	0	48	0.0	-34.85	384.64	8.02	-26.83
N[C@@H](CC(=O)[O-])C1=NOC([C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=N1	REAL300012106555	1	47	0.0	-68.57	369.21	5.96	-62.61
N[C@@H](CC(=O)[O-])C1=NOC([C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=N1	REAL300012106555	1	47	0.0	-68.71	370.70	5.96	-62.75
CC(=O)NC1=CN=C(C)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106556	0	37	0.0	-40.64	312.95	-0.05	-40.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(Br)=C2Br)=N1	REAL300012106557	0	28	0.0	-36.73	281.49	4.37	-32.36
COC1=CC=CC=C1C1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=NO1	REAL300012106558	0	38	0.0	-37.10	328.19	2.80	-34.30
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=C(C3=CC=CC=C3)C=C2)=NO1	REAL300012106559	0	47	0.0	-37.02	392.03	7.56	-29.46
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(CC2=CC=CC=C2)=NO1	REAL300012106560	0	40	0.0	-36.19	339.83	4.92	-31.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(F)C(Br)=CC=C3N2)=N1	REAL300012106561	0	32	0.0	-37.85	305.68	2.89	-34.96
COC1=CC(C)=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)NC2=C1	REAL300012106562	0	39	0.0	-36.58	328.85	2.13	-34.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(Cl)C(F)=C3N2)=N1	REAL300012106563	0	32	0.0	-37.68	301.22	2.78	-34.90
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=CC3=CC=C(Br)C=C32)=N1	REAL300012106564	0	35	0.0	-39.09	322.49	4.98	-34.11
CC1=C(Cl)C2=NC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2C=C1	REAL300012106565	0	36	0.0	-37.85	316.89	3.76	-34.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCOC3(CCOCC3)C2)=N1	REAL300012106566	0	43	0.0	-35.68	327.70	0.94	-34.74
CCC1=NN(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(=O)C2=CC3=C(C=CS3)N21	REAL300012106567	0	43	0.0	-40.53	377.40	4.85	-35.68
COC1=NN2C(=NN=C2CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106568	0	39	0.0	-40.95	339.37	0.66	-40.29
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C(Br)S1	REAL300012106569	0	28	0.0	-34.15	275.63	2.65	-31.50
COC1=CC(C)=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)OC2=C1	REAL300012106570	0	38	0.0	-37.82	325.22	2.72	-35.10
CCC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)CC1=CC=CC=C1	REAL300012106571	0	43	0.0	-36.07	344.19	5.60	-30.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=COC3=C2NC(=O)CCC3)=N1	REAL300012106572	0	36	0.0	-39.20	304.94	0.02	-39.18
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(F)C(Cl)=C1	REAL300012106573	0	34	0.0	-36.58	307.45	4.06	-32.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(F)C=C3NC2=O)=N1	REAL300012106574	0	34	0.0	-43.93	302.77	1.90	-42.03
CCC(=O)N1CSC[C@H]1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106575	0	36	0.0	-41.62	309.75	1.17	-40.45
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C(F)(F)F)C3=CC(F)=CC=C3N=C2)=N1	REAL300012106576	0	36	0.0	-36.75	323.19	3.35	-33.40
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(F)=C1Br	REAL300012106577	0	31	0.0	-35.31	289.74	3.60	-31.71
COC(=O)C1=CC(OC)=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012106578	0	37	0.0	-39.01	327.29	0.43	-38.58
COCC1(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCOCC1	REAL300012106579	0	42	0.0	-36.66	319.57	1.57	-35.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=CC=N3)C=C2)=N1	REAL300012106580	0	38	0.0	-36.97	332.88	2.80	-34.17
CC1=NC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=NN2C(C(F)F)=C1	REAL300012106581	0	36	0.0	-45.74	325.69	2.73	-43.01
CN1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Br)=C1C(F)(F)F	REAL300012106582	0	31	0.0	-35.53	303.02	1.25	-34.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)C2=CC=CC=C2)=N1	REAL300012106583	0	52	0.0	-38.14	385.00	5.31	-32.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2CSCN2C(=O)C2CCCC2)=N1	REAL300012106584	0	43	0.0	-39.92	345.35	3.58	-36.34
CCC(C)C(=O)N1CSC[C@H]1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106585	0	42	0.0	-41.05	347.99	2.32	-38.73
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(C=C2Cl)OCO3)=N1	REAL300012106586	0	31	0.0	-35.87	284.88	2.24	-33.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC3=C(C(F)(F)F)C=CC=C23)=N1	REAL300012106587	0	36	0.0	-36.91	317.02	3.54	-33.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC=C2Br)=N1	REAL300012106588	0	25	0.0	-37.94	246.45	-0.74	-38.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2CSCN2C(=O)C2=CNC3=CC=CC=C23)=N1	REAL300012106589	0	44	0.0	-48.47	375.05	3.11	-45.36
CCCN1C(=O)CC[C@H](C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)[C@H]1C1=CN=CN1C	REAL300012106590	0	51	0.0	-45.29	402.28	4.59	-40.70
CC(C)C1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C2CCCCN21	REAL300012106591	0	44	0.0	-39.62	338.92	3.77	-35.85
CC1=CC(C2CCC2)=NC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106592	0	40	0.0	-35.73	322.91	3.62	-32.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@H]2CSCN2C(=O)C2=CC=CC=C2)=N1	REAL300012106593	0	40	0.0	-39.75	333.86	3.33	-36.42
COC1=CC=CC2=C1CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)CO2	REAL300012106594	0	40	0.0	-36.78	328.37	2.25	-34.53
CC(C)[C@@H]1C[C@H](CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC=C21	REAL300012106595	0	47	0.0	-35.13	365.09	6.47	-28.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(Br)C=CC(Cl)=C3N2)=N1	REAL300012106596	0	32	0.0	-34.91	316.37	3.34	-31.57
CC1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)NC2=CC=C1F	REAL300012106597	0	35	0.0	-36.06	304.85	2.86	-33.20
CC1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)NC2=CC=C1Cl	REAL300012106598	0	35	0.0	-35.40	313.39	3.29	-32.11
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(COC2=CC=CC=C2)=N1	REAL300012106599	0	41	0.0	-36.94	360.94	3.33	-33.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN3C(=C2)N=CC=C3C(F)(F)F)=N1	REAL300012106600	0	33	0.0	-42.47	309.02	2.08	-40.39
CC1=CC=C(Br)C(F)=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106601	0	31	0.0	-37.62	286.94	3.83	-33.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@H]2CCCN2C(=O)C2=CC=CC=C2)=N1	REAL300012106602	0	42	0.0	-39.67	336.32	3.72	-35.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=NC(C3=CC=CC=C3)=C2)=N1	REAL300012106603	0	37	0.0	-37.40	335.36	4.71	-32.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC3C(CC2)C3(F)F)=N1	REAL300012106604	0	38	0.0	-36.71	305.67	3.85	-32.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(CCC(F)(F)F)C=C2)=N1	REAL300012106605	0	34	0.0	-39.54	311.13	2.04	-37.50
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(F)C(F)(F)F)C=C2)=N1	REAL300012106606	0	34	0.0	-37.39	310.63	4.21	-33.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(F)(F)C2=CC=C(F)C=C2F)=N1	REAL300012106607	0	31	0.0	-35.29	284.61	3.06	-32.23
CC1=C(Br)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C	REAL300012106608	0	31	0.0	-37.95	287.73	1.01	-36.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(F)C(C(F)(F)F)=C2F)=N1	REAL300012106609	0	31	0.0	-37.09	292.27	3.41	-33.68
CC(=O)NCC1(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCCCC1	REAL300012106610	0	47	0.0	-40.52	355.30	2.24	-38.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(Br)=C2Br)=N1	REAL300012106611	0	25	0.0	-34.15	275.41	2.50	-31.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC(Br)=C2F)=N1	REAL300012106612	0	27	0.0	-36.59	267.02	1.13	-35.46
CC1=C(I)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C	REAL300012106613	0	31	0.0	-37.73	293.18	1.43	-36.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCOC2=C(F)C=CC=C2Cl)=N1	REAL300012106614	0	35	0.0	-36.98	324.57	3.49	-33.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C(F)F)N=C(C3CC3)O2)=N1	REAL300012106615	0	34	0.0	-37.84	303.70	0.22	-37.62
CC(C)CC(=O)N1CCCCC1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106616	0	47	0.0	-35.10	358.62	4.31	-30.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3CCCO3)CCOCC2)=N1	REAL300012106617	0	43	0.0	-34.92	320.11	2.09	-32.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C2=CC=CC=C2)=N1	REAL300012106618	0	45	0.0	-32.82	339.77	5.76	-27.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=CC=C3)C=C2Br)=N1	REAL300012106619	0	35	0.0	-37.92	325.40	3.97	-33.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2CC(C(F)(F)F)CCC2=O)=N1	REAL300012106620	0	38	0.0	-38.56	326.10	1.95	-36.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(C=C(Br)S3)S2)=N1	REAL300012106621	0	28	0.0	-33.93	295.88	3.60	-30.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC(Cl)=CC=C2Br)=N1	REAL300012106622	0	32	0.0	-34.65	313.01	4.64	-30.01
CN1C(=O)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC(Br)=CC=C21	REAL300012106623	0	37	0.0	-39.26	329.95	3.62	-35.64
CC(C)N1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(I)=N1	REAL300012106624	0	34	0.0	-37.63	315.30	2.89	-34.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=C3OCCNC(=O)C3=C2)=N1	REAL300012106625	0	37	0.0	-39.67	335.27	0.30	-39.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(SC(Br)=C3)S2)=N1	REAL300012106626	0	28	0.0	-34.34	296.15	3.59	-30.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(NS(=O)(=O)C3CC3)C=C2)=N1	REAL300012106627	0	40	0.0	-41.77	346.81	0.40	-41.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(NS(=O)(=O)C3CC3)=C2)=N1	REAL300012106628	0	40	0.0	-40.07	350.77	0.92	-39.15
CC(C)S(=O)(=O)NC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106629	0	42	0.0	-41.15	361.12	0.78	-40.37
CC1=CC(F)=C(Br)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106630	0	31	0.0	-35.51	288.81	3.53	-31.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC(Cl)=C3F)CC2)=N1	REAL300012106631	0	35	0.0	-35.12	321.25	4.89	-30.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CNC(=O)CC23CCOC3)=N1	REAL300012106632	0	40	0.0	-40.82	312.08	-2.13	-42.95
CC(CC1=CC=C(C(C)(C)C)C=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106633	0	49	0.0	-34.33	382.85	6.64	-27.69
CN1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C1=CC=C(Cl)C=C1	REAL300012106634	0	38	0.0	-38.29	339.61	3.74	-34.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3SCCCC3=C2)=N1	REAL300012106635	0	36	0.0	-34.92	309.20	4.63	-30.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3SCCCCC3=C2)=N1	REAL300012106636	0	39	0.0	-34.28	326.25	5.23	-29.05
COC(=O)CCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106637	0	40	0.0	-38.18	344.82	4.67	-33.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NC(C3=CC=CN=C3)=N2)=N1	REAL300012106638	0	35	0.0	-41.72	311.28	1.79	-39.93
CC1=CC2=C(C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N2CC(F)(F)F)S1	REAL300012106639	0	38	0.0	-36.35	347.78	4.89	-31.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(C=CS3)N2CC2CC2)=N1	REAL300012106640	0	39	0.0	-35.22	338.75	5.26	-29.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC(Cl)=C3)C=C2)=N1	REAL300012106641	0	38	0.0	-35.58	337.32	6.35	-29.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3CC3(F)F)C=C2)=N1	REAL300012106642	0	32	0.0	-43.38	292.98	1.77	-41.61
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(C=C(Br)S3)N2)=N1	REAL300012106643	0	29	0.0	-34.98	290.29	2.03	-32.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2C3CC2(C2=CC=C(F)C=C2)CC3)=N1	REAL300012106644	0	42	0.0	-37.33	337.88	5.76	-31.57
CCC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Br	REAL300012106645	0	34	0.0	-33.78	305.38	4.28	-29.50
CCCC1=C(Br)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1	REAL300012106646	0	34	0.0	-33.33	321.00	4.31	-29.02
CSC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Br	REAL300012106647	0	32	0.0	-36.43	305.79	3.97	-32.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(N2)C(Br)=CS3)=N1	REAL300012106648	0	29	0.0	-34.65	290.07	1.91	-32.74
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(=O)NC(C3=CC=CC=C3)=C2)=N1	REAL300012106649	0	38	0.0	-41.32	325.75	2.85	-38.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=COC3=CC(F)=CC(F)=C23)=N1	REAL300012106650	0	31	0.0	-35.89	284.21	2.75	-33.14
N#CC1=C2N=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CN2N=C1	REAL300012106651	0	31	0.0	-44.01	290.10	1.80	-42.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC=C(OCC3CC3)C=C2F)=N1	REAL300012106652	0	38	0.0	-35.74	329.41	2.29	-33.45
CCN1C=C(OC2=CN=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=N2)C=N1	REAL300012106653	0	40	0.0	-41.07	346.87	0.22	-40.85
COC1=CC=CC=C1N1C=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106654	0	39	0.0	-39.50	336.30	4.17	-35.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3CCOCC3)N=C2)=N1	REAL300012106655	0	40	0.0	-37.04	332.10	1.13	-35.91
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(Br)=C1C	REAL300012106656	0	34	0.0	-34.61	302.90	4.13	-30.48
CC(C)CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1C1=CC=CC=C1	REAL300012106657	0	47	0.0	-37.97	385.23	5.79	-32.18
CC1CCN(C2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)CC1	REAL300012106658	0	46	0.0	-33.59	360.09	4.29	-29.30
CN1C=CN=C1[C@@H]1OCC[C@H]1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106659	0	39	0.0	-39.86	324.03	1.33	-38.53
COC1=CC=C(C(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1F	REAL300012106660	0	38	0.0	-38.01	320.56	2.89	-35.12
COC(F)(F)C(F)(F)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106661	0	38	0.0	-36.22	342.61	3.17	-33.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COCC2=NC(C3CC3)=NO2)=N1	REAL300012106662	0	37	0.0	-44.11	325.40	-0.49	-44.60
CN1CCC2=CC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C21	REAL300012106663	0	40	0.0	-37.39	329.18	2.95	-34.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=NC(Br)=C2)=N1	REAL300012106664	0	28	0.0	-44.67	270.59	2.45	-42.22
CCS(=O)(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106665	0	39	0.0	-42.54	341.40	0.03	-42.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(Br)C=CC=C3S2)=N1	REAL300012106666	0	31	0.0	-34.83	304.14	4.36	-30.47
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CN=C3)=NO2)=N1	REAL300012106667	0	33	0.0	-39.29	297.00	1.65	-37.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(C2=CC=CC=C2)C(F)F)=N1	REAL300012106668	0	37	0.0	-35.46	310.46	4.26	-31.20
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=NN1C1CCOC1	REAL300012106669	0	38	0.0	-42.53	316.37	-0.56	-43.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC3=NN=C(C4=CC=C(F)C=C4)N3C2)=N1	REAL300012106670	0	44	0.0	-45.12	365.54	5.70	-39.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2[C@H]3C[C@]2(C2=CC=C(C(F)(F)F)C=C2)CC3)=N1	REAL300012106671	0	45	0.0	-37.15	370.73	6.67	-30.48
N#CCCCOC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106672	0	42	0.0	-43.78	362.12	4.65	-39.13
CN1C=CC(C(=O)NC2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=N1	REAL300012106673	0	42	0.0	-41.38	364.17	2.24	-39.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC(Cl)=CC=C3F)CCC2)=N1	REAL300012106674	0	38	0.0	-34.82	326.46	6.18	-28.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC(F)=CC=C3F)CCC2)=N1	REAL300012106675	0	38	0.0	-35.14	316.13	5.72	-29.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2(N3C=NN=N3)CCSCC2)=N1	REAL300012106676	0	40	0.0	-44.18	321.67	2.03	-42.15
NC(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Cl	REAL300012106677	0	32	0.0	-43.36	293.42	-0.27	-43.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=NC3=CC=CC=C3N=C2)=N1	REAL300012106678	0	36	0.0	-40.33	316.79	2.29	-38.04
COC1=NC2=CC=CC=C2C=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106679	0	41	0.0	-39.12	350.33	2.56	-36.56
CCCOC1=NC2=CC=CC=C2C=C1C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106680	0	47	0.0	-38.75	393.69	4.29	-34.46
COC1=NC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1Br	REAL300012106681	0	31	0.0	-36.15	289.28	-0.42	-36.57
CN1C=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(=O)N(C)C1=O	REAL300012106682	0	38	0.0	-47.97	324.54	1.99	-45.98
CC(C)N1N=CC2=C1NC(=O)C(C=CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=C2	REAL300012106683	0	44	0.0	-42.72	371.12	3.14	-39.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CSC3=CC=CC=C3NC2=O)=N1	REAL300012106684	0	40	0.0	-40.28	336.57	3.88	-36.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=COC3=C(F)C=C(F)C=C23)=N1	REAL300012106685	0	31	0.0	-36.06	287.71	2.86	-33.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(CC(F)(F)F)=N2)=N1	REAL300012106686	0	30	0.0	-39.97	293.70	1.14	-38.83
CCC1=CC=CC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=C21	REAL300012106687	0	39	0.0	-38.45	329.81	4.22	-34.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3(C(F)(F)F)CC3)C=C2)=N1	REAL300012106688	0	38	0.0	-35.61	333.72	5.33	-30.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=NC(C4CC4)=NS3)C=N2)=N1	REAL300012106689	0	37	0.0	-39.24	340.54	4.89	-34.35
CC1(C)CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1C(F)(F)F	REAL300012106690	0	37	0.0	-36.58	306.78	3.25	-33.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=O)NCCC3=C2)=N1	REAL300012106691	0	36	0.0	-41.69	306.01	0.88	-40.81
CCOC(=O)C1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CS1	REAL300012106692	0	33	0.0	-43.27	310.51	0.98	-42.29
C[C@@H](CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(C(F)(F)F)C=C1	REAL300012106693	0	40	0.0	-37.16	343.62	5.47	-31.69
C[C@@H](CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C2OCOC2=C1	REAL300012106694	0	40	0.0	-39.25	330.92	3.11	-36.14
CC1=C(Br)C=NN1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106695	0	31	0.0	-40.68	290.64	1.43	-39.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2=CC=CC=C2Br)=N1	REAL300012106696	0	32	0.0	-39.00	306.40	4.11	-34.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2COCCN2CC(F)(F)F)=N1	REAL300012106697	0	40	0.0	-39.16	319.52	-0.11	-39.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=C(C3CCOC3)C=N2)=N1	REAL300012106698	0	39	0.0	-43.83	326.29	0.98	-42.85
CCC1=CC2=C(OCC2)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106699	0	39	0.0	-35.24	324.43	3.91	-31.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3C=C(Cl)C=N3)C=C2)=N1	REAL300012106700	0	38	0.0	-37.92	347.33	4.58	-33.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C(F)(F)F)=CS2)=N1	REAL300012106701	0	28	0.0	-34.93	276.75	2.44	-32.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(OCC3=CC=CC=C3)C=C2)=N1	REAL300012106702	0	48	0.0	-38.20	401.17	7.19	-31.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OCC3CC3)=C2)=N1	REAL300012106703	0	39	0.0	-34.61	329.49	4.23	-30.38
CSC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Cl)=C1	REAL300012106704	0	32	0.0	-34.32	299.02	3.78	-30.54
CC1=C(Cl)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Br	REAL300012106705	0	31	0.0	-33.64	299.94	4.02	-29.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3SC(C(F)F)=NC3=CC=C2)=N1	REAL300012106706	0	33	0.0	-38.77	309.89	2.73	-36.04
CN1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=NN2C)=N1	REAL300012106707	0	38	0.0	-40.40	330.94	1.30	-39.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Cl)C=C2SCC2=CC=CC=C2)=N1	REAL300012106708	0	42	0.0	-34.93	380.16	7.65	-27.28
CC1=NC=C2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC2=N1	REAL300012106709	0	39	0.0	-38.95	320.66	2.69	-36.26
CC1=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C(F)(F)F)=CO1	REAL300012106710	0	34	0.0	-36.34	306.45	2.77	-33.57
CCC1=NC=C2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC2=N1	REAL300012106711	0	42	0.0	-38.86	342.14	3.28	-35.58
CC1=CN(CC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)N=C1	REAL300012106712	0	41	0.0	-37.73	352.14	4.75	-32.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2OCCC[C@@H]2C2=CC=CC=C2)=N1	REAL300012106713	0	42	0.0	-34.63	320.42	3.27	-31.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2OCCC[C@H]2C2=CC=CC=C2)=N1	REAL300012106714	0	42	0.0	-34.77	338.45	3.75	-31.02
CC1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCCNS1(=O)=O	REAL300012106715	0	36	0.0	-41.59	298.25	-2.87	-44.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=C(Br)S2)=N1	REAL300012106716	0	31	0.0	-35.58	301.81	3.72	-31.86
CC1=CC2=C(C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N2CC2CC2)S1	REAL300012106717	0	42	0.0	-35.51	362.73	6.13	-29.38
CN1C=CC(C23CC(CC2)C3C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012106718	0	42	0.0	-36.63	337.05	3.91	-32.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(C=CS3)N2CC(F)(F)F)=N1	REAL300012106719	0	35	0.0	-36.51	325.91	4.09	-32.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(C2=CC=CC=C2F)C(F)F)=N1	REAL300012106720	0	37	0.0	-36.59	315.49	4.28	-32.31
COC1=CN=C(C(F)(F)F)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106721	0	34	0.0	-37.37	308.80	1.67	-35.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C3CC3(F)F)=C2)=N1	REAL300012106722	0	35	0.0	-36.03	306.33	4.61	-31.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(COC2=CC=CC=C2C(F)F)=N1	REAL300012106723	0	35	0.0	-41.47	309.46	2.96	-38.51
CCOC1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)SC2=NC=C1	REAL300012106724	0	37	0.0	-37.41	330.33	2.16	-35.25
CC1=NC(C2CCOCC2)=NC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106725	0	43	0.0	-36.69	347.88	1.56	-35.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC3CC2C2C3C2(F)F)=N1	REAL300012106726	0	36	0.0	-35.32	287.10	3.44	-31.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2C3CC2(C2=CN=CS2)CC3)=N1	REAL300012106727	0	38	0.0	-35.70	316.11	3.48	-32.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC3(CC2)COCCO3)=N1	REAL300012106728	0	43	0.0	-35.47	329.71	1.64	-33.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2[C@H]3C[C@]2(C2=CC=CS2)CC3)=N1	REAL300012106729	0	39	0.0	-35.52	322.28	4.82	-30.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN3CCNS(=O)(=O)C3=C2)=N1	REAL300012106730	0	34	0.0	-44.77	305.62	-4.62	-49.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C([N+](=O)[O-])S2)=N1	REAL300012106731	0	31	0.0	-42.23	298.18	3.48	-38.75
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(CCCNC3=O)O2)=N1	REAL300012106732	0	36	0.0	-39.94	305.26	-0.28	-40.22
CCC1=NN(C)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1Cl	REAL300012106733	0	34	0.0	-36.21	304.40	1.94	-34.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC(=O)N2CCC(F)(F)F)=N1	REAL300012106734	0	38	0.0	-43.57	333.65	2.34	-41.23
CC1=C(Cl)C=C(Br)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106735	0	31	0.0	-33.57	297.17	3.91	-29.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(=O)NC3=NC=CC=C32)=N1	REAL300012106736	0	35	0.0	-41.18	299.53	0.35	-40.83
CC1(C)CCC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C(Cl)N=C2C1	REAL300012106737	0	43	0.0	-36.77	352.64	5.07	-31.70
CC1=CC(C)=C2NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC2=C1	REAL300012106738	0	38	0.0	-35.03	321.20	3.54	-31.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(C3CCOCC3)=C2)=N1	REAL300012106739	0	39	0.0	-37.92	321.87	0.16	-37.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC3=C2CC(F)(F)CC3)=N1	REAL300012106740	0	34	0.0	-38.31	296.92	2.51	-35.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CS(=O)(=O)C2=CC=CC=C2F)=N1	REAL300012106741	0	34	0.0	-44.47	312.13	0.14	-44.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3C(F)=C(Cl)C=CN3N=C2)=N1	REAL300012106742	0	31	0.0	-37.98	292.56	2.59	-35.39
COC(=O)C1=CC2=C(S1)SC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=C2	REAL300012106743	0	34	0.0	-37.22	330.18	3.60	-33.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(S2)C2=CC=CC=C2NC3=O)=N1	REAL300012106744	0	37	0.0	-39.15	335.49	2.88	-36.27
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1I	REAL300012106745	0	32	0.0	-35.30	302.63	2.87	-32.43
COC1=CC=C(C(C)=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106746	0	39	0.0	-36.09	327.53	3.53	-32.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CSC2=CC=CC(Cl)=C2)=N1	REAL300012106747	0	32	0.0	-38.55	303.93	4.06	-34.49
COC1=CC=C(C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(F)F)C=C1	REAL300012106748	0	41	0.0	-39.43	343.23	3.91	-35.52
CCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)OC2=CC=C(Br)C=C21	REAL300012106749	0	37	0.0	-35.75	335.90	4.72	-31.03
CC1=CSC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=CN=C12	REAL300012106750	0	32	0.0	-37.39	293.26	2.16	-35.23
COC1=CC2=C(OCC2)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106751	0	37	0.0	-35.93	311.03	1.77	-34.16
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@H]2CC(=O)N[C@@H](C3=CC=CC=C3)C2)=N1	REAL300012106752	0	42	0.0	-41.31	347.34	2.65	-38.66
CC1=CC(F)=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1I	REAL300012106753	0	31	0.0	-33.92	291.93	3.87	-30.05
CC(=CC1=CC=C(F)C(F)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106754	0	35	0.0	-38.22	306.05	4.25	-33.97
COC(=O)C1=CC(OC)=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1Cl	REAL300012106755	0	38	0.0	-37.34	338.86	2.61	-34.73
C[C@H](C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C2OCOC2=C1	REAL300012106756	0	37	0.0	-37.45	310.92	2.16	-35.29
CS(=O)(=O)N1CCC(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012106757	0	43	0.0	-44.35	359.26	-1.53	-45.88
CC1=CN(C2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)N=C1	REAL300012106758	0	38	0.0	-38.46	326.69	4.28	-34.18
CC(CC1=CC=C(F)C(F)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106759	0	37	0.0	-38.20	319.41	4.43	-33.77
N#CC1=CC=CC=C1C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106760	0	39	0.0	-38.87	344.36	6.15	-32.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC3=CC(F)=CC=C32)=N1	REAL300012106761	0	34	0.0	-35.49	294.06	4.56	-30.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(CC(F)(F)F)C=C2Br)=N1	REAL300012106762	0	31	0.0	-41.70	308.79	1.93	-39.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CSC(Br)=C2)=N1	REAL300012106763	0	31	0.0	-35.68	301.56	3.57	-32.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CC=C(Br)C=C2Cl)=N1	REAL300012106764	0	35	0.0	-37.96	331.57	5.50	-32.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NN2C2CC2(F)F)=N1	REAL300012106765	0	32	0.0	-37.70	291.38	1.72	-35.98
CCOC1=CC=C2NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C(C)C2=C1	REAL300012106766	0	42	0.0	-35.96	348.08	2.97	-32.99
CCC1=CC=C2NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C(C)C2=C1	REAL300012106767	0	41	0.0	-34.71	339.54	4.20	-30.51
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)NC2=CC(C)=CC(C)=C12	REAL300012106768	0	41	0.0	-35.15	332.33	3.88	-31.27
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)NC2=CC=C(C(C)C)C=C12	REAL300012106769	0	44	0.0	-34.60	356.72	4.67	-29.93
COC(=O)C1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)SC2=CC=C1	REAL300012106770	0	37	0.0	-37.90	334.89	4.32	-33.58
COC(=O)C1=NC=CC=C1CCC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106771	0	39	0.0	-40.88	331.61	2.50	-38.38
CC12CC3(C)CC(O)(C1)CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)(C2)C3	REAL300012106772	0	49	0.0	-33.91	361.71	1.83	-32.08
CNC(=O)C1=CN=CC(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106773	0	38	0.0	-41.82	329.52	0.10	-41.72
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=NC3=CC=CC=C23)=N1	REAL300012106774	0	37	0.0	-40.04	316.75	3.91	-36.13
NS(=O)(=O)C1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012106775	0	39	0.0	-44.78	324.80	-2.46	-47.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC=C3F)=NO2)=N1	REAL300012106776	0	34	0.0	-42.42	306.51	3.56	-38.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(Br)C3=CC=CN=C23)=N1	REAL300012106777	0	33	0.0	-36.10	303.96	3.58	-32.52
CSC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC(Cl)=C1	REAL300012106778	0	35	0.0	-35.98	326.15	4.56	-31.42
COC1=C(F)C=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1F	REAL300012106779	0	32	0.0	-36.45	290.46	1.92	-34.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(=O)N(CC(F)(F)F)C=C2)=N1	REAL300012106780	0	34	0.0	-45.33	310.00	2.46	-42.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(C3=COC=C3)=C2)=N1	REAL300012106781	0	34	0.0	-37.74	300.66	2.24	-35.50
C[C@@H](CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC(OC(F)(F)F)=C1	REAL300012106782	0	41	0.0	-36.68	350.89	4.24	-32.44
CC1(C)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCS1(=O)=O	REAL300012106783	0	37	0.0	-43.89	303.62	-0.99	-44.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCCN2C(=O)CCC2=O)=N1	REAL300012106784	0	40	0.0	-42.26	338.24	2.13	-40.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CNC3=CC(OCC4=CC=CC=C4)=CC=C23)=N1	REAL300012106785	0	49	0.0	-40.70	411.50	6.44	-34.26
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C(C)C1=CC=C(F)C=C1	REAL300012106786	0	40	0.0	-36.12	330.60	4.74	-31.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2COC3=C(Br)C=CC=C3C2)=N1	REAL300012106787	0	36	0.0	-37.04	320.28	3.56	-33.48
CN1C=CC(N2C=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=N1	REAL300012106788	0	35	0.0	-41.93	310.77	3.62	-38.31
CN(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(C#N)C=C1F	REAL300012106789	0	37	0.0	-40.45	326.24	2.64	-37.81
CC1=CC=CC(C2=NOC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)=C1	REAL300012106790	0	37	0.0	-38.79	323.44	4.09	-34.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=C(Cl)C=C3)=NO2)=N1	REAL300012106791	0	34	0.0	-38.81	318.71	3.94	-34.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC=C3Cl)=NO2)=N1	REAL300012106792	0	34	0.0	-40.71	314.39	4.11	-36.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2[C@H]3C[C@]2(C2=CC=C(Br)C=C2)CC3)=N1	REAL300012106793	0	42	0.0	-36.08	353.42	6.30	-29.78
CCC1=CN2C(=N1)C=CC=C2C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106794	0	37	0.0	-38.96	312.93	4.05	-34.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2[C@H]3C[C@]2(C2=CC=CC(Br)=C2)CC3)=N1	REAL300012106795	0	42	0.0	-36.55	353.25	6.31	-30.24
N#CC1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Br)=C1	REAL300012106796	0	35	0.0	-40.43	327.91	4.75	-35.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3NC(=O)NCC3=C2)=N1	REAL300012106797	0	35	0.0	-40.90	300.79	-0.50	-41.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(CC(F)(F)F)C2=CC=CC=C2)=N1	REAL300012106798	0	37	0.0	-35.91	320.22	4.39	-31.52
CN1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC(F)=CC=C21	REAL300012106799	0	34	0.0	-38.03	302.95	2.26	-35.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=COC3=C2CS(=O)(=O)C3)=N1	REAL300012106800	0	32	0.0	-43.70	293.53	-1.70	-45.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3CCOC3)C=C2)=N1	REAL300012106801	0	39	0.0	-35.35	320.80	3.05	-32.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(F)(F)C2=CSC=C2Br)=N1	REAL300012106802	0	28	0.0	-37.13	285.24	2.58	-34.55
CN1C=C(C2=NOC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)C=N1	REAL300012106803	0	34	0.0	-40.45	306.73	1.28	-39.17
C=CCNC(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106804	0	39	0.0	-39.08	337.15	2.11	-36.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(C3=CC=CC=C3F)=C2)=N1	REAL300012106805	0	37	0.0	-36.42	327.15	4.29	-32.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=CC(F)=C2F)=N1	REAL300012106806	0	28	0.0	-35.75	278.57	3.44	-32.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(F)=C2C(F)(F)F)=N1	REAL300012106807	0	31	0.0	-39.27	284.51	3.07	-36.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3SC=CC3=C(F)C=C2)=N1	REAL300012106808	0	31	0.0	-34.78	287.37	3.76	-31.02
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1C1=CC=CC=C1	REAL300012106809	0	41	0.0	-34.39	343.81	6.54	-27.85
CC1=CC=C(C2=CC=CC=C2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106810	0	41	0.0	-35.65	336.00	6.28	-29.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=COC3=C(Br)C=CC=C23)=N1	REAL300012106811	0	31	0.0	-36.51	296.18	3.35	-33.16
COC1=CC(OC)=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106812	0	36	0.0	-36.96	317.05	2.23	-34.73
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106813	0	47	0.0	-39.65	372.14	5.26	-34.39
CC(C)(C)N1CCCC(C)(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)S1(=O)=O	REAL300012106814	0	48	0.0	-37.96	363.17	0.90	-37.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC2C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300012106815	0	38	0.0	-35.67	335.17	5.40	-30.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2C3C=CC(C3)C2C2=CC=CC=C2)=N1	REAL300012106816	0	43	0.0	-33.96	335.86	5.96	-28.00
CC1(C)CCC(F)(F)CC1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106817	0	40	0.0	-35.68	308.97	3.25	-32.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CC3=CC=CC=C3)C=N2)=N1	REAL300012106818	0	40	0.0	-38.52	344.66	4.94	-33.58
CC1=CC(C)=NC(N2CCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2)=N1	REAL300012106819	0	47	0.0	-38.43	376.70	4.36	-34.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C(F)(F)F)S2)=N1	REAL300012106820	0	27	0.0	-35.96	273.07	0.74	-35.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2CCO[C@H]2C2=CC=CC=C2C(F)(F)F)=N1	REAL300012106821	0	42	0.0	-37.92	345.46	4.48	-33.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C3CC(F)(F)C3(F)F)=C2)=N1	REAL300012106822	0	38	0.0	-37.70	335.03	5.24	-32.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(C2=CC=C(F)C=C2)C(F)F)=N1	REAL300012106823	0	37	0.0	-37.25	316.86	4.31	-32.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCN(CC(F)(F)F)C(=O)C2)=N1	REAL300012106824	0	38	0.0	-41.94	324.38	1.93	-40.01
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(Br)=C2Cl)=N1	REAL300012106825	0	25	0.0	-34.27	271.78	2.43	-31.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C23CC4CC(C2)C(=O)C(C4)C3)=N1	REAL300012106826	0	41	0.0	-38.92	313.38	3.26	-35.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC=C2CC(F)(F)F)=N1	REAL300012106827	0	34	0.0	-35.38	296.61	3.76	-31.62
CC(C)(C)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C([N+](=O)[O-])=C1	REAL300012106828	0	42	0.0	-39.97	345.95	5.68	-34.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(F)(F)CCN2C=CN=N2)=N1	REAL300012106829	0	33	0.0	-43.19	297.08	0.79	-42.40
CC1=CC(F)=CC=C1C(F)(F)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106830	0	34	0.0	-34.59	297.86	3.61	-30.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(F)(F)CCN2C=CC=N2)=N1	REAL300012106831	0	34	0.0	-38.90	303.27	2.02	-36.88
COC1=CC(F)=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Br	REAL300012106832	0	32	0.0	-35.55	300.80	2.73	-32.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(I)=C2F)=N1	REAL300012106833	0	28	0.0	-37.69	277.89	3.83	-33.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(F)C3=CC=CC=C3C=C2)=N1	REAL300012106834	0	34	0.0	-35.25	296.20	4.66	-30.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(OC3=CC(C(F)(F)F)=CC=N3)=C2)=N1	REAL300012106835	0	41	0.0	-36.88	372.33	3.79	-33.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(F)(F)CF)C=C2)=N1	REAL300012106836	0	34	0.0	-37.44	306.19	4.10	-33.34
COC(=O)C1=CSC2=C1NC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=C2	REAL300012106837	0	35	0.0	-38.08	324.74	1.97	-36.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CON=C2C2=CC=CC=C2)=N1	REAL300012106838	0	34	0.0	-36.99	297.24	3.14	-33.85
C[C@H](C1=CC=CC=C1)N1C=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106839	0	42	0.0	-35.32	343.38	5.78	-29.54
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106840	0	42	0.0	-35.64	343.39	5.78	-29.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(C3=CC=C4OCCOC4=C3)=C2)=N1	REAL300012106841	0	41	0.0	-40.18	349.67	1.39	-38.79
COCC(OC1=CC=C(Cl)C=C1C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106842	0	42	0.0	-36.25	364.17	3.32	-32.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(C2=CC=CC(F)=C2)C(F)F)=N1	REAL300012106843	0	37	0.0	-38.89	320.13	4.40	-34.49
CN1C(=O)N(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C1C1CC1	REAL300012106844	0	38	0.0	-40.97	327.96	2.61	-38.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2[C@H]3C[C@]2(C2=CC=C(Cl)C=C2)CC3)=N1	REAL300012106845	0	42	0.0	-36.14	348.84	6.20	-29.94
CC1=CC(Cl)=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1Br	REAL300012106846	0	31	0.0	-33.77	298.33	3.95	-29.82
CC(C)(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(F)C(F)=C1	REAL300012106847	0	37	0.0	-36.48	314.17	4.01	-32.47
CC1=CC(Cl)=CC=C1OC(C)(C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106848	0	41	0.0	-34.51	343.65	3.91	-30.60
COC1=CC=CC=C1N1N=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106849	0	39	0.0	-38.95	332.65	2.63	-36.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCOCC23CCCCC3)=N1	REAL300012106850	0	45	0.0	-33.54	326.20	2.58	-30.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C(F)(F)F)CC3CCC2CC3)=N1	REAL300012106851	0	41	0.0	-33.21	314.34	4.08	-29.13
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=CC=C2F)=NO1	REAL300012106852	0	37	0.0	-38.40	326.09	4.52	-33.88
CC(F)(F)C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC=C1	REAL300012106853	0	37	0.0	-35.26	312.97	4.17	-31.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC=C3)CCOC2)=N1	REAL300012106854	0	39	0.0	-34.88	317.40	2.64	-32.24
CC1=CC=C(C2CCCCC2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106855	0	47	0.0	-35.61	352.10	5.98	-29.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCN2CC3=CC=CC=C3C2=O)=N1	REAL300012106856	0	42	0.0	-47.35	354.84	4.08	-43.27
CC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(OC(F)(F)F)C=C1	REAL300012106857	0	41	0.0	-36.64	351.02	4.01	-32.63
CC(=O)C1=CC(Cl)=CC=C1OC(C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106858	0	40	0.0	-40.52	349.85	4.70	-35.82
CC1=CC(C(C)(C)C)=CC=C1OC(C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106859	0	50	0.0	-35.34	391.04	5.58	-29.76
CC1=CC(Cl)=CC=C1O[C@@H](C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106860	0	38	0.0	-36.09	331.58	3.76	-32.33
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2COC3=CC=C(Br)C=C3C2)=N1	REAL300012106861	0	36	0.0	-36.32	321.33	3.48	-32.84
CC1=CC=C(OC(C)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C)=C1	REAL300012106862	0	41	0.0	-35.74	336.26	3.91	-31.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C(=O)NC3(CCOCC3)C2=O)=N1	REAL300012106863	0	41	0.0	-39.79	340.10	-1.62	-41.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC3=CC(Cl)=CC=C32)=N1	REAL300012106864	0	34	0.0	-35.11	304.36	4.99	-30.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CCC3=CC(Br)=CC=C32)=N1	REAL300012106865	0	38	0.0	-36.74	331.17	5.37	-31.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(C3=CC=C(F)C=C3)=C2)=N1	REAL300012106866	0	37	0.0	-37.66	322.26	4.11	-33.55
CC(OC1=CC=C(Cl)C=C1C1CCCCC1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106867	0	51	0.0	-34.65	411.75	6.92	-27.73
COC(=O)C1=CC2=C(C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N2)S1	REAL300012106868	0	35	0.0	-38.04	324.80	2.05	-35.99
COC(=O)C1=COC2=C1NC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=C2	REAL300012106869	0	35	0.0	-39.85	316.12	1.09	-38.76
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N=C(C2=NNC=N2)S1	REAL300012106870	0	33	0.0	-44.62	305.33	0.79	-43.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)SC3=C2SN=N3)=N1	REAL300012106871	0	26	0.0	-35.75	276.34	1.34	-34.41
COC(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1C	REAL300012106872	0	37	0.0	-36.67	310.95	3.38	-33.29
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3N=C(C4=CC=CC=C4)NC3=C2)=N1	REAL300012106873	0	41	0.0	-38.90	351.69	4.99	-33.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3NC(C4=CC=CC=C4)=NC3=C2)=N1	REAL300012106873	1	41	0.0	-38.47	351.71	4.98	-33.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CSC=C3)C=C2)=N1	REAL300012106874	0	35	0.0	-34.96	311.93	4.84	-30.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3CCOC(=O)C3=C2)=N1	REAL300012106875	0	35	0.0	-41.02	302.27	3.36	-37.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC3=CC(Br)=CN=C3C2)=N1	REAL300012106876	0	34	0.0	-38.70	307.74	2.94	-35.76
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC3=C(Cl)C=CC=C23)=N1	REAL300012106877	0	33	0.0	-35.78	297.48	3.14	-32.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC(Br)=CS2)=N1	REAL300012106878	0	28	0.0	-36.26	280.11	2.82	-33.44
CN1C=C(C2=CC=CC=C2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012106879	0	38	0.0	-38.16	321.83	3.37	-34.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(C3=CC=CC=C3)S2)=N1	REAL300012106880	0	39	0.0	-36.51	346.33	6.35	-30.16
CCCCC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300012106881	0	53	0.0	-34.69	412.62	9.47	-25.22
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(CC2=CC=C(F)C=C2)C2=CC=CC=C2)=N1	REAL300012106882	0	44	0.0	-36.18	369.33	7.14	-29.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=C(F)C=C3)=NS2)=N1	REAL300012106883	0	34	0.0	-37.66	315.42	3.72	-33.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=C(Cl)C=C3)=NS2)=N1	REAL300012106884	0	34	0.0	-37.07	325.74	4.17	-32.90
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC(Cl)=C3)=NS2)=N1	REAL300012106885	0	34	0.0	-35.90	325.74	4.17	-31.73
CN(C)C1=CC=C(Br)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106886	0	36	0.0	-34.87	313.59	4.22	-30.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C23CCN(CCC2)S3(=O)=O)=N1	REAL300012106887	0	37	0.0	-40.00	302.47	-1.39	-41.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CN=C2OC2=CC=CN=C2)=N1	REAL300012106888	0	37	0.0	-38.39	325.80	1.74	-36.65
CC1=CC=CC(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2(F)F)=C1	REAL300012106889	0	38	0.0	-37.58	329.27	5.09	-32.49
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C3CC3)ON=C2Br)=N1	REAL300012106890	0	31	0.0	-35.71	294.73	2.76	-32.95
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)NC2=CC(F)=CC(F)=C12	REAL300012106891	0	35	0.0	-34.85	307.50	2.82	-32.03
CC(C)C1=CNC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NC2=C1	REAL300012106892	0	40	0.0	-46.44	333.66	2.37	-44.07
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=C2)CCCS3(=O)=O)=N1	REAL300012106893	0	38	0.0	-45.37	327.68	0.95	-44.42
CC1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC(=O)CC2)C=C1	REAL300012106894	0	46	0.0	-37.97	358.62	5.54	-32.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3CCOCC3)CC2(F)F)=N1	REAL300012106895	0	39	0.0	-38.33	317.82	2.35	-35.98
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(F)(F)F)N=C2C(F)(F)F)=N1	REAL300012106896	0	33	0.0	-38.21	312.55	2.43	-35.78
CN1N=CC2=NC(C(F)(F)F)=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C21	REAL300012106897	0	36	0.0	-37.95	321.84	1.24	-36.71
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(Cl)=C2C(F)(F)F)=N1	REAL300012106898	0	31	0.0	-38.50	292.70	3.44	-35.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(Cl)C=C3F)CC2)=N1	REAL300012106899	0	35	0.0	-34.29	321.41	4.91	-29.38
COC1=NN(C)C(Br)=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106900	0	32	0.0	-35.78	300.62	-1.06	-36.84
CC(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(F)=C1	REAL300012106901	0	35	0.0	-41.00	307.28	1.32	-39.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC(C(F)(F)F)=CO2)=N1	REAL300012106902	0	31	0.0	-39.13	289.98	2.30	-36.83
CS(=O)(=O)C1(C2=CC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2)CC1	REAL300012106903	0	41	0.0	-46.50	347.10	1.61	-44.89
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3SC(Cl)=C(Cl)C3=CC=C2)=N1	REAL300012106904	0	31	0.0	-35.03	313.79	4.79	-30.24
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)=C2	REAL300012106905	0	42	0.0	-41.63	349.92	4.29	-37.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(CCCC3=O)OC2=O)=N1	REAL300012106906	0	36	0.0	-42.77	312.87	3.29	-39.48
CC1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)SC2=C(C)S1	REAL300012106907	0	34	0.0	-35.67	318.38	4.36	-31.31
COC1=CC2=NC=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2C=C1	REAL300012106908	0	37	0.0	-38.20	311.62	1.88	-36.32
CCSC1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012106909	0	41	0.0	-34.72	333.91	4.53	-30.19
C[C@]12CCCN1S(=O)(=O)[C@H](C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2	REAL300012106910	0	40	0.0	-42.27	320.61	-0.69	-42.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CSC(Cl)=C2Cl)=N1	REAL300012106911	0	25	0.0	-34.42	267.37	2.31	-32.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC(F)=C3)N=C2)=N1	REAL300012106912	0	35	0.0	-37.36	312.34	3.66	-33.70
CS(=O)(=O)C1=COC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106913	0	31	0.0	-45.01	290.82	-2.13	-47.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C3COCCC3=C2)=N1	REAL300012106914	0	39	0.0	-37.98	322.12	3.20	-34.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C3CCOCC3=C2)=N1	REAL300012106915	0	39	0.0	-37.63	322.13	3.20	-34.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3CCOCC3=O)=C2)=N1	REAL300012106916	0	40	0.0	-39.13	339.81	1.88	-37.25
CC1=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1Br	REAL300012106917	0	30	0.0	-36.55	281.53	1.64	-34.91
COC1=CC(Br)=CN=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106918	0	31	0.0	-36.31	290.62	1.21	-35.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=C2)C(=O)CCS3(=O)=O)=N1	REAL300012106919	0	37	0.0	-43.59	329.69	0.06	-43.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCNC(=O)C2=CC=CC(Cl)=C2)=N1	REAL300012106920	0	38	0.0	-46.73	341.72	2.08	-44.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3SCCC(=O)C3=C2)=N1	REAL300012106921	0	35	0.0	-36.74	311.00	3.71	-33.03
CCC1=CC=C(N2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=N2)C=C1	REAL300012106922	0	40	0.0	-41.43	343.85	3.55	-37.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(C3=CC=CC(F)=C3)=C2)=N1	REAL300012106923	0	37	0.0	-37.82	322.27	4.11	-33.71
C=CCN(C)S(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106924	0	43	0.0	-40.04	375.29	1.84	-38.20
C=CCN(C)S(=O)(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106925	0	43	0.0	-39.89	375.32	1.83	-38.06
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(OC3=CC=CC=C3Cl)=CC=N2)=N1	REAL300012106926	0	38	0.0	-37.84	347.58	3.92	-33.92
CC(C)CC(CCC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106927	0	49	0.0	-35.27	387.42	7.03	-28.24
CCC1=NC2=CC(F)=CC=C2C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106928	0	39	0.0	-37.97	332.14	3.86	-34.11
CC1=NN=NN1C1=CC(F)=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106929	0	36	0.0	-41.33	320.22	2.50	-38.83
CC1(C)CCC(=O)C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C21	REAL300012106930	0	43	0.0	-37.26	344.96	4.84	-32.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CN=CC(Br)=C3S2)=N1	REAL300012106931	0	30	0.0	-37.25	299.88	2.63	-34.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(N3CCOCC3)C=C2)=N1	REAL300012106932	0	44	0.0	-37.97	352.42	1.94	-36.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CC=C3OCCOC3=C2)=N1	REAL300012106933	0	41	0.0	-39.87	340.53	3.62	-36.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC(=O)N(CC(F)(F)F)C2)=N1	REAL300012106934	0	38	0.0	-42.39	324.04	1.88	-40.51
CC1=CN=C(N2CCOCC2)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106935	0	42	0.0	-39.57	340.86	1.14	-38.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=C(F)C=CC=C2Br)=N1	REAL300012106936	0	35	0.0	-34.97	316.80	4.93	-30.04
CS(=O)(=O)C1=CC(Br)=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012106937	0	34	0.0	-41.58	328.43	0.58	-41.00
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NSC3=CC(Br)=CC=C32)=N1	REAL300012106938	0	30	0.0	-36.14	296.94	2.88	-33.26
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)C3=NC=CC=C3S2)=N1	REAL300012106939	0	30	0.0	-37.41	292.45	2.32	-35.09
N#CC1=CC=C(CCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(F)=C1	REAL300012106940	0	35	0.0	-41.15	316.19	4.31	-36.84
CCC1=CC=C([N+](=O)[O-])C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106941	0	36	0.0	-39.90	309.65	4.22	-35.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC2C2=CC=CC=C2Cl)=N1	REAL300012106942	0	38	0.0	-35.19	316.83	4.82	-30.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=C3OC=CC3=C2)=N1	REAL300012106943	0	31	0.0	-37.20	295.13	3.38	-33.82
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(C=C2F)OCC(=O)N3)=N1	REAL300012106944	0	34	0.0	-39.60	301.71	-0.00	-39.60
CN1C2=CC(Cl)=C(Cl)C=C2C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1Cl	REAL300012106945	0	35	0.0	-35.40	346.30	5.73	-29.67
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(Br)C=NC=C3C=C2)=N1	REAL300012106946	0	33	0.0	-36.67	306.19	3.42	-33.25
CC12CCCN1S(=O)(=O)C(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C2	REAL300012106947	0	40	0.0	-44.09	326.11	-0.59	-44.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=NN2CCC(F)(F)F)=N1	REAL300012106948	0	34	0.0	-36.73	307.90	1.87	-34.86
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106949	0	39	0.0	-35.63	339.99	4.38	-31.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=CC=C(Cl)C=C2F)=N1	REAL300012106950	0	32	0.0	-35.94	300.26	4.14	-31.80
CC(=O)NC(COC(C)C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106951	0	41	0.0	-38.00	335.01	0.03	-37.97
COC1=CC2=CC=C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2C=C1	REAL300012106952	0	41	0.0	-39.55	343.87	4.66	-34.89
CC(C)CC(CC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106953	0	46	0.0	-34.48	365.97	6.27	-28.21
CCCCOC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106954	0	45	0.0	-36.28	372.30	5.40	-30.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=C(Br)C(F)=C2)=N1	REAL300012106955	0	28	0.0	-35.65	279.15	3.13	-32.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CC=NC=C2Cl)=N1	REAL300012106956	0	34	0.0	-39.30	305.60	3.11	-36.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3CC3(F)F)C=C2)=N1	REAL300012106957	0	35	0.0	-36.44	307.94	4.66	-31.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC=C(F)C3=CC=CC=C32)=N1	REAL300012106958	0	33	0.0	-36.85	288.17	2.63	-34.22
COC(=O)C1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012106959	0	37	0.0	-42.47	328.60	2.45	-40.02
CC(CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(F)C(F)=C1	REAL300012106960	0	37	0.0	-39.20	317.56	4.59	-34.61
CC1=CC=C(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2)C(F)=C1	REAL300012106961	0	38	0.0	-34.14	326.09	5.07	-29.07
CCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)SC(C2=NNC=N2)=N1	REAL300012106962	0	36	0.0	-41.56	327.34	1.59	-39.97
C=CCN(C)C1=CC=C(S(N)(=O)=O)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106963	0	45	0.0	-41.23	384.57	-1.01	-42.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3N=C(C4=CC=C(F)C=C4)NC3=C2)=N1	REAL300012106964	0	41	0.0	-39.08	358.09	5.05	-34.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3NC(C4=CC=C(F)C=C4)=NC3=C2)=N1	REAL300012106964	1	41	0.0	-38.61	358.12	5.04	-33.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3C(=C2)N=NN3CCC2=CC=CC=C2)=N1	REAL300012106965	0	46	0.0	-39.39	393.65	5.53	-33.86
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=C(Br)C=CS2)=N1	REAL300012106966	0	31	0.0	-35.23	299.57	3.53	-31.70
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C3NC(=O)CCC3=C2)=N1	REAL300012106967	0	39	0.0	-42.70	328.23	2.30	-40.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3N=C(C4CC4)NC3=C2)=N1	REAL300012106968	0	38	0.0	-38.29	324.13	3.46	-34.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3NC(C4CC4)=NC3=C2)=N1	REAL300012106968	1	38	0.0	-37.81	324.13	3.45	-34.36
CC1=CC(C(F)(F)F)=CC=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106969	0	37	0.0	-38.38	322.08	4.55	-33.83
CSC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1[N+](=O)[O-]	REAL300012106970	0	34	0.0	-40.02	310.22	3.97	-36.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC3=NC(C(F)(F)F)=CN3C2)=N1	REAL300012106971	0	38	0.0	-42.92	330.76	3.46	-39.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=C(Br)C=C3N=CNC3=C2)=N1	REAL300012106972	0	34	0.0	-43.83	309.57	3.64	-40.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=C(Br)C=C3NC=NC3=C2)=N1	REAL300012106972	1	34	0.0	-40.06	309.43	3.63	-36.43
CC(C)OC1=CC=C(Cl)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106973	0	37	0.0	-38.36	325.96	2.57	-35.79
C=CCOC1=CC=C(Cl)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106974	0	35	0.0	-38.90	320.92	2.54	-36.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(C3=CC=CC=C3F)=NO2)=N1	REAL300012106975	0	36	0.0	-40.97	315.86	2.84	-38.13
CS(=O)(=O)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Cl)=C1	REAL300012106976	0	34	0.0	-42.69	319.53	0.32	-42.37
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(F)(F)F)C=C2C(F)(F)F)=N1	REAL300012106977	0	34	0.0	-35.52	315.03	4.11	-31.41
CC(C)(C)C1=NN(C(C)(C)C)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106978	0	49	0.0	-35.24	378.90	4.10	-31.14
CN1N=CC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C(C3CC3)N=C21	REAL300012106979	0	40	0.0	-37.47	338.25	3.43	-34.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C23CCC(C(F)(F)F)(CC2)C3)=N1	REAL300012106980	0	38	0.0	-35.81	316.11	3.80	-32.01
COC1=CC=C(C=CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(OC)=C1OC	REAL300012106981	0	44	0.0	-39.21	372.61	2.89	-36.32
CC=CC1=CC=C(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(OC)=C1	REAL300012106982	0	43	0.0	-40.33	358.89	3.82	-36.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(CCOC3)N=C2Cl)=N1	REAL300012106983	0	35	0.0	-38.18	307.97	1.76	-36.42
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC(OC3=CC=CC=C3)CC2)=N1	REAL300012106984	0	45	0.0	-37.30	347.26	4.61	-32.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(Br)C=CC=C3C=C2)=N1	REAL300012106985	0	34	0.0	-35.16	310.98	5.20	-29.96
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN3C(=NN=C3C3=CC=CC=C3)C=C2)=N1	REAL300012106986	0	40	0.0	-43.65	342.79	6.17	-37.48
CC1=CC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CN=C2C(F)=C1	REAL300012106987	0	36	0.0	-40.46	315.40	3.55	-36.91
CN1C=C(C2=NC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CO2)C=N1	REAL300012106988	0	34	0.0	-43.22	307.52	-1.49	-44.71
COC1=C2C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)NC2=C(C)C=C1	REAL300012106989	0	39	0.0	-36.66	329.36	2.16	-34.50
CC(C)(C)S(=O)(=O)CC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012106990	0	45	0.0	-47.04	382.32	0.62	-46.42
COC1=NC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2C=C1	REAL300012106991	0	37	0.0	-38.34	319.73	1.30	-37.04
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(COC3=CC=C(F)C=C3)=C2)=N1	REAL300012106992	0	38	0.0	-40.68	340.31	3.16	-37.52
CCCCOC1=CC=C(CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012106993	0	44	0.0	-37.35	362.76	4.92	-32.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=C(Cl)S2)=N1	REAL300012106994	0	25	0.0	-34.05	269.93	2.51	-31.54
CCCC(CCC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106995	0	46	0.0	-35.38	369.95	6.57	-28.81
CCC(C)(C)C1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012106996	0	49	0.0	-33.40	343.96	4.69	-28.71
COC1CC2(C1)CCC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)CC2	REAL300012106997	0	45	0.0	-34.76	348.33	3.22	-31.54
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C3OCCC(=O)C3=C2)=N1	REAL300012106998	0	35	0.0	-37.61	302.47	2.18	-35.43
CCC(CCC1=CC=CC=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012106999	0	43	0.0	-35.50	348.66	5.77	-29.73
CN1C=C(C2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=NO2)N=N1	REAL300012107000	0	33	0.0	-41.18	300.96	0.01	-41.17
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC23CCC(F)(F)CC3)=N1	REAL300012107001	0	38	0.0	-38.14	310.09	3.97	-34.17
CN(C)C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1[N+](=O)[O-]	REAL300012107002	0	38	0.0	-39.57	326.88	3.69	-35.88
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=NC3=NC=CC=C23)=N1	REAL300012107003	0	32	0.0	-41.03	294.13	2.06	-38.97
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C(F)(F)F)C(F)=C2Br)=N1	REAL300012107004	0	31	0.0	-36.18	306.12	3.88	-32.30
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OC3=CC=C(F)C=C3)S2)=N1	REAL300012107005	0	36	0.0	-35.90	335.07	4.52	-31.38
N#CC1=CC=C(C2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)N=CO2)C=C1	REAL300012107006	0	35	0.0	-41.77	319.74	0.91	-40.86
CC1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300012107007	0	38	0.0	-44.84	336.51	4.20	-40.64
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CC=C3)CC2C(F)(F)F)=N1	REAL300012107008	0	38	0.0	-35.84	319.51	5.68	-30.16
C[C@H]1C2=CC=CC=C2O[C@H]1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107009	0	39	0.0	-39.93	320.28	3.53	-36.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=CC=CC(Br)=C2F)=N1	REAL300012107010	0	34	0.0	-38.66	315.96	4.53	-34.13
COC1=CC(Br)=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1F	REAL300012107011	0	32	0.0	-35.57	298.16	3.21	-32.36
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3CCS(=O)(=O)C3)N=C2)=N1	REAL300012107012	0	38	0.0	-48.26	332.84	-1.20	-49.46
CC1(C)OC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C2NC1=O	REAL300012107013	0	40	0.0	-38.12	336.85	0.99	-37.13
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC3=C2CCC(=O)N3)=N1	REAL300012107014	0	36	0.0	-39.76	302.97	1.77	-37.99
COC(=O)C1=CC=CC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=CC=C12	REAL300012107015	0	40	0.0	-38.18	339.67	4.91	-33.27
CN1N=CC2=NC(C(F)F)=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C21	REAL300012107016	0	36	0.0	-37.59	315.90	1.00	-36.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC3=C2CCNC3=O)=N1	REAL300012107017	0	35	0.0	-41.27	295.37	-1.12	-42.39
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(CCCNC3=O)S2)=N1	REAL300012107018	0	36	0.0	-39.04	314.46	0.68	-38.36
CN(C)C(=O)C1=CN=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012107019	0	37	0.0	-39.80	312.63	0.39	-39.41
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NC3=C(Cl)N=CC=C3C=C2)=N1	REAL300012107020	0	32	0.0	-43.83	299.24	1.41	-42.42
COC1=CC=CC=C1OC(C)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107021	0	39	0.0	-38.14	324.05	2.43	-35.71
CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1S(=O)(=O)N(C)C	REAL300012107022	0	42	0.0	-39.71	349.24	0.89	-38.82
CCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N2C=C(C)SC2=N1	REAL300012107023	0	37	0.0	-37.49	326.22	4.69	-32.80
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=NC=C3)=NO2)=N1	REAL300012107024	0	33	0.0	-40.40	297.22	1.67	-38.73
CC1=CC2=C(C=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)S2)S1	REAL300012107025	0	31	0.0	-34.35	296.08	3.67	-30.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(C(F)(F)F)C=C3S2)=N1	REAL300012107026	0	34	0.0	-36.53	323.11	4.79	-31.74
NS(=O)(=O)CC1=CC=CC=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107027	0	39	0.0	-43.73	336.12	-1.38	-45.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2(C3=CC=C(C(F)(F)F)C=C3)CC2)=N1	REAL300012107028	0	41	0.0	-37.78	357.35	6.04	-31.74
CC1=C(Br)C(C(F)(F)F)=NN1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107029	0	34	0.0	-41.48	330.41	2.39	-39.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC(C3=CC=CC(Br)=C3)=NO2)=N1	REAL300012107030	0	36	0.0	-36.75	332.61	3.31	-33.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=C(Cl)C=CC=C2Cl)=N1	REAL300012107031	0	35	0.0	-34.68	324.66	5.25	-29.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CN2C=C(I)C=N2)=N1	REAL300012107032	0	28	0.0	-41.20	277.61	1.42	-39.78
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C3C=C(Br)C=CN23)=N1	REAL300012107033	0	31	0.0	-36.97	293.32	3.32	-33.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(Cl)C=NN2C2CCCC2)=N1	REAL300012107034	0	38	0.0	-35.16	326.43	3.56	-31.60
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NNC(C3=CC=CC=N3)=C2)=N1	REAL300012107035	0	34	0.0	-38.46	301.33	0.65	-37.81
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C3=CC=CC=N3)=NN2)=N1	REAL300012107035	1	34	0.0	-37.25	302.74	0.68	-36.57
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC=N3)S2)=N1	REAL300012107036	0	34	0.0	-36.48	312.09	3.44	-33.04
COC1=C(Cl)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=NC=CC=C21	REAL300012107037	0	37	0.0	-36.72	333.83	3.11	-33.61
C[NH+](C)CCOC1=CC=C(C2=NC([C@@H](N)CC(=O)[O-])=NO2)C=C1	REAL300012107038	1	43	0.0	-72.57	351.48	3.76	-68.81
CP(C)(=O)C1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012107039	0	37	0.0	-40.42	326.53	1.99	-38.43
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=C(F)C=CC(F)=C2Br)=N1	REAL300012107040	0	31	0.0	-35.38	297.51	3.69	-31.69
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N=S3(=O)CCCC3)=C2)=N1	REAL300012107041	0	42	0.0	-45.19	352.07	2.25	-42.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=COC(CN3C=C(Br)C=N3)=C2)=N1	REAL300012107042	0	35	0.0	-38.51	334.19	2.81	-35.70
CCCSC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012107043	0	38	0.0	-34.15	329.62	5.07	-29.08
COC1=CC=C2C(=C1)CCCC2C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107044	0	42	0.0	-35.37	336.50	3.86	-31.51
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(C3=CC=CC(Cl)=C3)C=N2)=N1	REAL300012107045	0	37	0.0	-39.35	332.90	4.42	-34.93
CCCCSC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012107046	0	41	0.0	-34.12	351.12	5.85	-28.27
CC1=NC=NC2=C1CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)CC2	REAL300012107047	0	39	0.0	-38.88	317.18	3.22	-35.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(COC3=CC=CC=C3)=C2)=N1	REAL300012107048	0	38	0.0	-39.23	333.89	3.11	-36.12
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=C(Br)C=CC(Cl)=C2F)=N1	REAL300012107049	0	31	0.0	-34.77	307.98	4.15	-30.62
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(Br)C3=CC=CC=C23)=N1	REAL300012107050	0	37	0.0	-38.94	329.34	5.74	-33.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=COC3=CC=C(Br)C=C23)=N1	REAL300012107051	0	31	0.0	-35.62	296.17	3.34	-32.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC(OC(F)(F)F)CC2)=N1	REAL300012107052	0	38	0.0	-35.25	319.35	2.08	-33.17
CC(CC1=CC=C(Cl)C(Cl)=C1)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107053	0	37	0.0	-36.46	338.62	5.28	-31.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(Br)C=C3O2)=N1	REAL300012107054	0	31	0.0	-37.35	296.13	3.39	-33.96
CC1=C(F)C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1I	REAL300012107055	0	31	0.0	-33.87	297.05	4.07	-29.80
CC(C)OC1=CC=C(F)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107056	0	38	0.0	-35.34	319.97	4.11	-31.23
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CCC3(CCCC3)CC2)=N1	REAL300012107057	0	47	0.0	-34.62	347.61	5.63	-28.99
COC1=NC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C(F)F)=N1	REAL300012107058	0	33	0.0	-40.17	297.88	-2.21	-42.38
COC1=CC=C(N2CCCCC2)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012107059	0	47	0.0	-34.69	370.64	4.03	-30.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2COCC3=CC=CC=C32)=N1	REAL300012107060	0	39	0.0	-37.54	315.99	3.01	-34.53
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CCCCCC2(F)F)=N1	REAL300012107061	0	40	0.0	-34.51	307.46	4.06	-30.45
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300012107062	0	44	0.0	-35.66	377.88	7.47	-28.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)=N1	REAL300012107063	0	40	0.0	-37.86	343.11	5.66	-32.20
CC1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CCS1(=O)=O	REAL300012107064	0	37	0.0	-44.00	303.44	-0.87	-44.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(N3CCCNS3(=O)=O)=C2)=N1	REAL300012107065	0	42	0.0	-43.10	360.03	-0.56	-43.66
CC(C1CC1)N1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1=O	REAL300012107066	0	42	0.0	-41.11	335.77	2.90	-38.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@]23CCCC2=CC=CC=C23)=N1	REAL300012107067	0	42	0.0	-35.42	333.58	5.82	-29.60
CCC1=CN2CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCC2=N1	REAL300012107068	0	41	0.0	-40.44	332.98	3.84	-36.60
C[C@@H](C1=CC=C(Cl)C=C1)N1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1=O	REAL300012107069	0	45	0.0	-42.44	381.00	5.39	-37.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CC3=CC=CC=C3)C=C2)=N1	REAL300012107070	0	41	0.0	-35.22	349.28	6.88	-28.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(N3C=CN=C3)=N2)=N1	REAL300012107071	0	33	0.0	-39.81	294.73	2.24	-37.57
CC1(C)CC2=CC=CC(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=C2O1	REAL300012107072	0	42	0.0	-35.80	345.71	4.33	-31.47
CN1C=NC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2C1=O	REAL300012107073	0	36	0.0	-41.34	312.98	3.09	-38.25
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCCOC2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300012107074	0	40	0.0	-46.00	348.08	4.16	-41.84
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Cl)=C(F)C(Cl)=C2)=N1	REAL300012107075	0	28	0.0	-35.12	285.21	3.47	-31.65
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012107076	0	42	0.0	-39.81	355.06	3.57	-36.24
CC1CCC(OCCCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012107077	0	47	0.0	-36.13	366.17	4.33	-31.80
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012107078	0	42	0.0	-38.21	354.98	3.56	-34.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CC3=CC=CC=C3NC2=O)=N1	REAL300012107079	0	39	0.0	-41.10	325.41	2.02	-39.08
CC1(C)C(=O)NC2CCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC21	REAL300012107080	0	45	0.0	-41.75	347.11	0.81	-40.94
CN(CC1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1)C1=CC=CC=C1	REAL300012107081	0	46	0.0	-36.18	374.35	6.60	-29.58
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN([C@@H]3COC[C@@H]3F)N=N2)=N1	REAL300012107082	0	35	0.0	-43.44	303.27	-0.66	-44.10
COC1=CC([C@@H]2C[C@H]2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(OC)C=C1C	REAL300012107083	0	46	0.0	-38.16	373.96	3.86	-34.30
CN1N=CC=C1C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012107084	0	38	0.0	-38.83	321.70	3.39	-35.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C23CCC(C2)S(=O)(=O)CC3)=N1	REAL300012107085	0	38	0.0	-42.62	304.70	-0.64	-43.26
CC1=NC2=CC(C(F)(F)F)=NN2C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012107086	0	36	0.0	-39.43	330.88	2.84	-36.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC2=C(F)C=CC=C2Cl)=N1	REAL300012107087	0	34	0.0	-35.18	309.27	4.35	-30.83
CN1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC(Cl)=CC=C21	REAL300012107088	0	35	0.0	-37.01	317.66	4.61	-32.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(N3CCNS3(=O)=O)C=C2)=N1	REAL300012107089	0	39	0.0	-44.32	338.99	-1.48	-45.80
CCC1=CC=CC(CC)=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107090	0	43	0.0	-35.01	337.70	5.77	-29.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC3(CC(OCC4=CC=CC=C4)C3)C2)=N1	REAL300012107091	0	49	0.0	-36.82	399.31	6.24	-30.58
CC(C)N1C=C(C2CC2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012107092	0	41	0.0	-38.43	340.71	3.67	-34.76
CN1C=NC2=CC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CC=C2C1=O	REAL300012107093	0	36	0.0	-41.48	312.59	3.10	-38.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(OCC(F)F)C=C2)=N1	REAL300012107094	0	35	0.0	-38.87	310.78	2.97	-35.90
CCN1N=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Cl)=C1Br	REAL300012107095	0	31	0.0	-35.15	307.24	1.76	-33.39
CN1N=C(Br)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012107096	0	27	0.0	-36.72	264.11	-1.01	-37.73
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C(Cl)N=C1Cl	REAL300012107097	0	30	0.0	-35.79	288.25	1.88	-33.91
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=CC(OCC3CC3)=C2)=N1	REAL300012107098	0	42	0.0	-38.03	351.44	4.92	-33.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=CC=C3C([N+](=O)[O-])=C2)=N1	REAL300012107099	0	36	0.0	-42.35	317.55	5.25	-37.10
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCOC3(CCCCC3)C2)=N1	REAL300012107100	0	45	0.0	-34.09	336.24	3.37	-30.72
CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)C1=CC=CC2=CC=CC=C21	REAL300012107101	0	40	0.0	-34.88	327.10	5.63	-29.25
COC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC(F)=C1F	REAL300012107102	0	32	0.0	-37.99	288.46	1.86	-36.13
COC1=CC2=CC=CN=C2C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012107103	0	37	0.0	-37.96	314.92	2.37	-35.59
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(C(F)(F)F)=NC=C2Cl)=N1	REAL300012107104	0	30	0.0	-35.99	293.92	2.79	-33.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN(C3=CC=CC(Cl)=C3)C(=O)C=C2)=N1	REAL300012107105	0	38	0.0	-41.82	348.92	5.10	-36.72
CC(C)(C)C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(Cl)=N1	REAL300012107106	0	39	0.0	-37.64	333.21	4.30	-33.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C([N+](=O)[O-])C=NN2CC(F)F)=N1	REAL300012107107	0	33	0.0	-41.67	304.63	2.72	-38.95
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(C2=CC=C(F)C(F)=C2)C2CC2)=N1	REAL300012107108	0	41	0.0	-38.79	342.83	6.14	-32.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC(CC3=CC=CC=N3)=C2)=N1	REAL300012107109	0	40	0.0	-36.35	343.65	5.08	-31.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=COC3=C(F)C=C(Cl)C=C23)=N1	REAL300012107110	0	31	0.0	-35.86	298.02	3.30	-32.56
CN1C(=O)NC2(CCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2)C1=O	REAL300012107111	0	43	0.0	-41.43	342.35	0.03	-41.40
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC3(CC2)NC(=O)NC3=O)=N1	REAL300012107112	0	40	0.0	-41.57	321.21	-2.30	-43.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(I)C=CS2)=N1	REAL300012107113	0	25	0.0	-34.08	260.65	2.34	-31.74
CCCN1C=C(Cl)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012107114	0	34	0.0	-37.66	308.40	2.09	-35.57
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C2=CC=C(C)C=C2)=NO1	REAL300012107115	0	40	0.0	-35.98	339.26	4.82	-31.16
CCN1N=C(Br)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012107116	0	30	0.0	-36.27	285.92	-0.17	-36.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(C2=CC=C(F)C=C2)C2CC2)=N1	REAL300012107117	0	38	0.0	-34.92	323.68	5.09	-29.83
CC1=CC=CC=C1C1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NO1	REAL300012107118	0	37	0.0	-36.74	322.22	4.06	-32.68
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(C3=CC=C4OCOC4=C3)=C2)=N1	REAL300012107119	0	37	0.0	-41.51	328.07	2.09	-39.42
CC1=CC(C(F)(F)C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CS1	REAL300012107120	0	31	0.0	-34.51	291.30	3.01	-31.50
CC1=NN(CC(F)(F)F)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012107121	0	34	0.0	-36.90	307.57	1.66	-35.24
CC1=C(C)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C(N2C=NN=N2)S1	REAL300012107122	0	36	0.0	-41.71	316.82	4.62	-37.09
CC12CC3(C)CC(F)(C1)CC(C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1)(C2)C3	REAL300012107123	0	48	0.0	-33.73	357.11	5.22	-28.51
COC1=NC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C(C(F)(F)F)=N1	REAL300012107124	0	33	0.0	-38.46	303.20	-2.06	-40.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=C(CN3CCOCC3)C=C2)=N1	REAL300012107125	0	44	0.0	-35.45	355.32	1.51	-33.94
N[C@@H](CC(=O)[O-])C1=NOC(CC2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300012107126	1	49	0.0	-74.99	385.04	6.37	-68.62
CC1CN(CC2=CC=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=C2)CCO1	REAL300012107127	0	47	0.0	-35.30	375.62	2.06	-33.24
CCNC(=O)N1CCC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012107128	0	43	0.0	-42.34	341.91	1.17	-41.17
COC1=CC([C@@H](C)CC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CC=C1C	REAL300012107129	0	44	0.0	-36.67	354.46	4.50	-32.17
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107130	0	44	0.0	-38.84	361.25	4.53	-34.31
CC(C)CN1C=C([C@@H]2C[C@H]2C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=N1	REAL300012107131	0	44	0.0	-37.25	358.88	4.73	-32.52
[NH3+][C@@H](CC(=O)[O-])C1=NOC([C@@H]2C[C@H]2C2=CN(C3=CC=CC=C3)N=C2)=N1	REAL300012107132	0	42	0.0	-39.87	356.50	5.69	-34.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(C3=CC=C(OC(F)(F)F)C=C3)N=N2)=N1	REAL300012107133	0	37	0.0	-36.56	342.37	1.47	-35.09
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CCS(=O)(=O)CC2)=N1	REAL300012107134	0	37	0.0	-47.10	308.01	-0.38	-47.48
CC1=NC2=C(C#N)C=NN2C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107135	0	34	0.0	-42.53	305.77	2.22	-40.31
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CS3)CCOCC2)=N1	REAL300012107136	0	39	0.0	-33.94	321.67	2.60	-31.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=CC=C(Br)S2)=N1	REAL300012107137	0	33	0.0	-36.29	322.64	3.55	-32.74
CN1C=C(Br)C(OCC2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=N1	REAL300012107138	0	32	0.0	-39.65	304.33	-1.00	-40.65
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN3C=CC=NC3=C2Cl)=N1	REAL300012107139	0	30	0.0	-42.00	284.98	1.62	-40.38
CC1=CC=C(C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2CC2)C=C1	REAL300012107140	0	41	0.0	-33.44	338.68	5.69	-27.75
CCC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)N2C=CC=CC2=N1	REAL300012107141	0	37	0.0	-37.86	311.77	4.30	-33.56
CC1=CC(F)=CC=C1C1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012107142	0	38	0.0	-35.82	321.34	4.87	-30.95
CC1=CC=C(F)C=C1C1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012107143	0	38	0.0	-36.13	321.63	4.86	-31.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C([N+](=O)[O-])C=C3)CC2)=N1	REAL300012107144	0	37	0.0	-42.20	318.46	5.68	-36.52
COC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CN=C2C=C1	REAL300012107145	0	37	0.0	-37.70	309.88	2.43	-35.27
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107146	0	44	0.0	-36.60	372.31	5.42	-31.18
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C(C3=CC=CC=C3)N=C(C(F)(F)F)S2)=N1	REAL300012107147	0	37	0.0	-36.14	346.60	3.90	-32.24
CCCN(CCC)S(=O)(=O)C1=CC=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107148	0	51	0.0	-42.43	416.91	4.66	-37.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3C=CC=CN3C(Br)=N2)=N1	REAL300012107149	0	31	0.0	-41.14	294.39	3.37	-37.77
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=C(Cl)C=C3)CC(F)(F)C2)=N1	REAL300012107150	0	38	0.0	-36.97	334.39	5.76	-31.21
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC=C(Br)C(Cl)=C2F)=N1	REAL300012107151	0	31	0.0	-38.20	309.43	4.22	-33.98
COCCN1C=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C1=O	REAL300012107152	0	38	0.0	-46.70	322.74	2.56	-44.14
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CC3=C2NC(=O)CC3)=N1	REAL300012107153	0	36	0.0	-39.79	301.00	1.79	-38.00
CS(=O)(=O)C1=CC=CC(C2(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CCCC2)=C1	REAL300012107154	0	47	0.0	-40.26	383.36	2.94	-37.32
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(CC(F)(F)F)C=C2Cl)=N1	REAL300012107156	0	31	0.0	-41.75	304.78	1.83	-39.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC=CN(C3CCC3)C2=O)=N1	REAL300012107157	0	38	0.0	-42.76	313.42	3.97	-38.79
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NN(CC(F)F)C=C2[N+](=O)[O-])=N1	REAL300012107158	0	33	0.0	-42.35	307.92	2.28	-40.07
CC1=CC=C(F)C=C1C(F)(F)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107159	0	34	0.0	-35.53	297.86	3.61	-31.92
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(F)(F)C2=CC(F)=CC=C2F)=N1	REAL300012107160	0	31	0.0	-34.89	284.61	3.06	-31.83
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(F)(F)C2=CC=CC(F)=C2F)=N1	REAL300012107161	0	31	0.0	-37.86	284.50	3.08	-34.78
CCC1=CC=CC=C1C(F)(F)C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107162	0	37	0.0	-34.32	307.25	4.12	-30.20
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC(C2=CC=CC=C2)N2C=NN=N2)=N1	REAL300012107163	0	39	0.0	-48.41	331.92	3.26	-45.15
CC(C1=CC=C(F)C=C1)N1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1=O	REAL300012107164	0	45	0.0	-43.47	368.31	4.60	-38.87
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=C(Cl)N=C3S2)=N1	REAL300012107165	0	30	0.0	-39.63	295.73	2.33	-37.30
COC1=C2NC=C(CC3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C2=CC=C1	REAL300012107166	0	39	0.0	-39.39	329.85	2.45	-36.94
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CNC3=C(OCC4=CC=CC=C4)C=CC=C23)=N1	REAL300012107167	0	49	0.0	-40.00	411.61	6.44	-33.56
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CNC3=CC=CC(OCC4=CC=CC=C4)=C23)=N1	REAL300012107168	0	49	0.0	-37.86	410.22	6.48	-31.38
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(COCC3)N=C2Cl)=N1	REAL300012107169	0	35	0.0	-38.13	307.98	1.76	-36.37
CC1=C(Br)C(=O)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CN1C	REAL300012107170	0	34	0.0	-51.45	306.31	2.90	-48.55
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CC3=CC(C(F)(F)F)=CC=C3C(=O)O2)=N1	REAL300012107171	0	38	0.0	-39.01	341.48	4.35	-34.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(Cl)C=C(F)C=C3N2)=N1	REAL300012107172	0	32	0.0	-34.89	301.61	2.78	-32.11
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=C(Br)C=CC(F)=C3N2)=N1	REAL300012107173	0	32	0.0	-35.26	306.04	2.89	-32.37
CC1=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)NC2=CC=C(C3=CC=CC=C3)C=C12	REAL300012107174	0	45	0.0	-36.32	371.26	6.21	-30.11
CS(C)(=O)=NC1=CC=NC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012107175	0	37	0.0	-48.60	322.65	-1.17	-49.77
C[C@@H](C1=CC=C(F)C=C1)N1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1=O	REAL300012107176	0	45	0.0	-43.22	370.68	4.94	-38.28
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2CCC3(CNC(=O)C3)CC2)=N1	REAL300012107177	0	42	0.0	-41.36	327.07	0.46	-40.90
C[C@H](C1=CC=C(F)C=C1)N1CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1=O	REAL300012107178	0	45	0.0	-43.09	370.78	4.94	-38.15
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(Br)=CC3=C2NC(=O)CO3)=N1	REAL300012107179	0	34	0.0	-37.42	313.26	0.43	-36.99
CC1=C(Br)C(=O)C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=CN1C1CC1	REAL300012107180	0	38	0.0	-47.72	333.66	4.26	-43.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=C(C3CCOCC3)S2)=N1	REAL300012107181	0	38	0.0	-36.44	328.50	1.15	-35.29
CCC1=CC([N+](=O)[O-])=CC=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107182	0	36	0.0	-37.48	309.65	4.22	-33.26
CC1=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=NN1CC(F)(F)F	REAL300012107183	0	34	0.0	-40.45	309.72	1.78	-38.67
COCCOC1=CC(Br)=CC(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)=C1	REAL300012107184	0	39	0.0	-35.87	352.73	2.53	-33.34
CN1C=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C2=CC=CC(Cl)=C21	REAL300012107185	0	35	0.0	-35.86	312.10	4.43	-31.43
CC1=C(C2=CC=CC=C2)ON=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107186	0	37	0.0	-37.06	321.49	4.03	-33.03
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=C(Br)C=CS2)=N1	REAL300012107187	0	29	0.0	-34.27	288.22	3.22	-31.05
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C=CC2=C(Br)SC=C2)=N1	REAL300012107188	0	29	0.0	-34.86	288.74	3.23	-31.63
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C23CC(C(F)(F)F)(C2)CO3)=N1	REAL300012107189	0	33	0.0	-37.19	293.14	0.95	-36.24
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CN=CC(N3C=CC=N3)=N2)=N1	REAL300012107190	0	33	0.0	-37.26	297.22	0.99	-36.27
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC(F)=CC3=CN=CC=C32)=N1	REAL300012107191	0	33	0.0	-36.43	288.38	2.76	-33.67
CN1N=NC=C1C1=CC=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1	REAL300012107192	0	37	0.0	-41.99	316.04	2.21	-39.78
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(F)C=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107193	0	42	0.0	-37.63	355.44	3.84	-33.79
COC1=CC(NC(=O)[C@@H]2C[C@H]2C)=C(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)C=C1OC	REAL300012107194	0	50	0.0	-38.99	408.24	3.07	-35.92
CC1=C(F)C=CC=C1C1(C2=NC([C@@H]([NH3+])CC(=O)[O-])=NO2)CC1	REAL300012107195	0	38	0.0	-34.74	320.17	4.81	-29.93
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=NOC(COC3=CC=C(F)C=C3F)=C2)=N1	REAL300012107196	0	38	0.0	-42.58	346.53	3.24	-39.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2(C3=CC=CS3)CCCC2)=N1	REAL300012107197	0	38	0.0	-33.69	315.62	4.50	-29.19
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C(C2=CC=CS2)C2CCCCC2)=N1	REAL300012107198	0	44	0.0	-33.59	358.28	5.78	-27.81
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2=CC(Cl)=CC(Br)=C2)=N1	REAL300012107199	0	31	0.0	-37.57	306.44	4.23	-33.34
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=CC3=CC=CC(OC(F)F)=C3O2)=N1	REAL300012107200	0	35	0.0	-40.85	314.13	2.35	-38.50
CN1N=C(C(F)(F)F)C=C1CC1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107201	0	34	0.0	-43.15	309.83	1.63	-41.52
CCC1=CN2CCC(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)CC2=N1	REAL300012107202	0	41	0.0	-41.30	332.97	3.86	-37.44
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CC2CCCC3CCCCC23)=N1	REAL300012107203	0	47	0.0	-34.44	347.99	5.42	-29.02
COC1=C2C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)=CSC2=CC=C1	REAL300012107204	0	35	0.0	-35.39	306.13	3.93	-31.46
[NH3+][C@@H](CC(=O)[O-])C1=NOC(C2=C3SC(Br)=CN3C=N2)=N1	REAL300012107205	0	28	0.0	-38.20	286.25	3.42	-34.78
CCOC1=CC=C(Cl)N=C1C1=NC([C@@H]([NH3+])CC(=O)[O-])=NO1	REAL300012107206	0	34	0.0	-38.79	308.01	1.96	-36.83
CN(C)C1=NC2=C(C3=NC([C@@H]([NH3+])CC(=O)[O-])=NO3)C=CC=C2O1	REAL300012107207	0	38	0.0	-38.72	326.01	1.06	-37.66
[NH3+][C@@H](CC(=O)[O-])C1=NOC(CCC(=O)C2=CC(Br)=CS2)=N1	REAL300012107208	0	33	0.0	-37.53	322.47	3.43	-34.10
O=C([O-])C1(C2=NC(C3=CC=CC(SC(F)(F)F)=C3)=NO2)C[NH2+]CCO1	REAL300012107210	0	37	0.0	-54.25	332.65	4.98	-49.27
O=C([O-])C1(C2=NC(C3(C4=CC=CC=N4)CCOCC3)=NO2)C[NH2+]CCO1	REAL300012107212	0	46	0.0	-58.01	355.80	2.78	-55.23
COC1=CC=C(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)C=C1F	REAL300012107214	0	37	0.0	-59.77	311.94	2.89	-56.88
COC1=CC=CC(C2=NOC(C3(C(=O)[O-])C[NH2+]CCO3)=N2)=C1OC	REAL300012107216	0	41	0.0	-59.48	334.78	3.15	-56.33
CC[NH+](CC)CCOC1=CC=C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)C=C1	REAL300012107229	0	58	0.0	-72.15	433.99	14.19	-57.96
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(OCC[NH+]3CCN(C)CC3)C=C2)C=C1	REAL300012107232	1	61	0.0	-73.82	456.89	12.16	-61.66
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC(C[NH+](C)C)=C2)C=C1	REAL300012107259	0	48	0.0	-74.73	368.96	13.06	-61.67
COCCC[N@H+](C)CCOC1=CC=C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)C=C1	REAL300012107267	0	62	0.0	-77.12	471.69	13.33	-63.79
COCCC[N@@H+](C)CCOC1=CC=C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)C=C1	REAL300012107267	1	62	0.0	-76.03	471.65	13.32	-62.71
CC(CCC(=O)[O-])C1=CC=C(C2=CC(OCC[NH+]3CCC(C)CC3)=CC=C2)C=C1	REAL300012107270	0	62	0.0	-71.64	461.13	15.29	-56.35
CCC1CCC[N@@H+]1CC1=CC=C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)C=C1	REAL300012107273	0	58	0.0	-70.06	426.69	15.11	-54.95
CCC1CCC[N@H+]1CC1=CC=C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)C=C1	REAL300012107273	1	58	0.0	-70.03	426.50	15.11	-54.92
COC1=CC=C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)C=C1C[NH+](C)C	REAL300012107278	0	52	0.0	-67.29	392.43	12.65	-54.64
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(C[NH+](C)C)C(F)=C2)C=C1	REAL300012107282	0	48	0.0	-71.57	375.06	13.18	-58.39
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(N3CCCC3)[NH+]=C2)C=C1	REAL300012107284	1	48	0.0	-61.37	367.11	11.24	-50.13
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1	REAL300012107305	0	55	0.0	-72.24	410.51	14.93	-57.31
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(OCCC[NH+]3CCCCC3)C=C2)C=C1	REAL300012107309	0	62	0.0	-74.97	462.54	15.36	-59.61
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC(OCC[NH+]3CCCCC3)=C2)C=C1	REAL300012107330	0	59	0.0	-70.69	440.47	14.72	-55.97
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC(OCC[NH+]3CCCCC3)=C2)C=C1	REAL300012107358	0	59	0.0	-70.69	440.47	14.72	-55.97
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC(OCC[NH+](C)C)=C2)C=C1	REAL300012107361	0	52	0.0	-71.46	398.82	12.84	-58.62
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC(C[N@@H+]3CCCC3C)=C2)C=C1	REAL300012107387	0	55	0.0	-68.26	414.76	14.86	-53.40
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC(C[N@H+]3CCCC3C)=C2)C=C1	REAL300012107387	1	55	0.0	-67.12	406.89	14.47	-52.65
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(C[N@@H+]3CCCC3C)C=C2)C=C1	REAL300012107389	0	55	0.0	-69.82	406.77	14.46	-55.36
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(C[N@H+]3CCCC3C)C=C2)C=C1	REAL300012107389	1	55	0.0	-70.42	415.22	14.89	-55.53
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(CC[NH+](C)C)C=C2)C=C1	REAL300012107490	0	51	0.0	-75.38	391.45	13.91	-61.47
CC(CCC(=O)[O-])C1=CC=C(C2=CC(C[NH+](C)C)=CC=C2F)C=C1	REAL300012107522	0	48	0.0	-74.11	380.32	13.31	-60.80
CC([NH3+])C1=CC=C(C2=CC=C(C(C)CCC(=O)[O-])C=C2)C=C1F	REAL300012107534	0	45	0.0	-85.58	354.09	10.03	-75.55
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(F)C(C[NH+](C)C)=C2)C=C1	REAL300012107539	0	48	0.0	-68.28	375.05	13.19	-55.09
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC=C2OCC[NH+](C)C)C=C1	REAL300012107583	0	52	0.0	-60.48	403.34	13.19	-47.29
CC(=O)N1CC[NH+](CC2=CC=CC(C3=CC=C(C(C)CCC(=O)[O-])C=C3)=C2)CC1	REAL300012107758	1	59	0.0	-84.98	445.88	13.77	-71.21
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(C[NH+](C)C)C=C2)C=C1	REAL300012107781	0	48	0.0	-73.34	368.95	13.07	-60.27
CC(CCC(=O)[O-])C1=CC=C(C2=CC=CC=C2C[NH+]2CCCCC2)C=C1	REAL300012107793	0	55	0.0	-54.97	410.64	15.00	-39.97
CC(CCC(=O)[O-])C1=CC=C(C2=CN(C3=CC=[NH+]C=C3)N=C2)C=C1	REAL300012107865	1	43	0.0	-75.07	351.02	11.18	-63.89
CC(CCC(=O)[O-])C1=CC=C(C2=CC=C(C[NH+](C)C)S2)C=C1	REAL300012107876	0	45	0.0	-72.64	362.71	12.49	-60.15
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CC1(CC2=CC=CC(C3=CC(C(=O)[O-])=CC=C3CO)=C2)CCC[NH2+]1	REAL300012110025	0	47	0.0	-76.45	359.97	7.79	-68.66
CC1C[NH+](CC2=CC=C(C3=CC(C(=O)[O-])=CC=C3CO)C=C2)CC(C)O1	REAL300012110035	0	51	0.0	-81.46	395.37	8.75	-72.71
[NH3+]CC(F)(F)C1=CC=C(C2=CC(C(=O)[O-])=CC=C2CO)C=C1Cl	REAL300012110050	1	37	0.0	-85.12	322.69	5.16	-79.96
CC(C)[NH2+]CC1=CC(C2=CC(C(=O)[O-])=CC=C2CO)=CC=C1F	REAL300012110055	0	43	0.0	-67.37	348.08	7.30	-60.07
O=C([O-])C1=CC=C(CO)C(C2=CC=C(F)C(C[NH2+]CCO)=C2)=C1	REAL300012110057	0	41	0.0	-68.65	341.56	3.50	-65.15
C=CC[NH2+]CC1=CC(C2=CC(C(=O)[O-])=CC=C2CO)=CC=C1F	REAL300012110058	0	41	0.0	-69.33	343.71	7.32	-62.01
CC[NH2+]CC1=CC(C2=CC(C(=O)[O-])=CC=C2CO)=CC=C1F	REAL300012110059	0	40	0.0	-68.79	330.85	6.78	-62.01
O=C([O-])C1=CC=C(CO)C(C2=CC=C(F)C3=C2C[NH2+]CC3)=C1	REAL300012110070	0	38	0.0	-69.87	310.61	6.04	-63.83
O=C([O-])C1=CC=C(CO)C(C2=CC=C(F)C3=C2CC[NH2+]C3)=C1	REAL300012110079	0	38	0.0	-74.53	310.63	6.06	-68.47
CC([NH3+])CC1=CC(C2=CC(C(=O)[O-])=CC=C2CO)=CC=C1F	REAL300012110083	0	40	0.0	-66.43	328.45	5.49	-60.94
O=C([O-])C1=CC=C(CO)C(C2=CC=C(F)C(CN3CC[NH2+]CC3)=C2)=C1	REAL300012110092	0	46	0.0	-70.56	365.77	5.16	-65.40
O=C([O-])C1=CC=C(CO)C(C2=CC=C(C3(O)CCC[NH2+]C3)C=C2)=C1	REAL300012110102	0	45	0.0	-88.64	347.08	4.40	-84.24
[NH3+]C1CC2=CC(C3=CC(C(=O)[O-])=CC=C3CO)=CN=C2NC1=O	REAL300012110151	0	38	0.0	-80.46	314.47	1.37	-79.09
O=C([O-])C1=CC=C(CO)C(C2=C3C[NH2+]CCN3C(C(F)(F)F)=N2)=C1	REAL300012110152	0	38	0.0	-77.95	323.94	4.86	-73.09
[NH3+]CC1(CC2=CC=CC(C3=CC(C(=O)[O-])=CC=C3CO)=C2)CC1	REAL300012110153	0	44	0.0	-94.12	350.90	6.69	-87.43
COC(=O)C1=CC(C2=CC(C(=O)[O-])=CC=C2CO)=C2NC(N)=[NH+]C2=C1	REAL300012110161	1	40	0.0	-75.97	342.68	6.53	-69.44
C[NH2+]CCCOC1=CC=C(C2=CC(C(=O)[O-])=CC=C2CO)C=C1	REAL300012110168	0	44	0.0	-86.69	356.16	6.25	-80.44
C[NH+](C)CCCNC1=CC=C(C2=CC(C(=O)[O-])=CC=C2CO)C=N1	REAL300012110191	0	47	0.0	-80.73	372.97	6.68	-74.05
COC1=CC=C(C2=CC(C(=O)[O-])=CC=C2CO)C2=C1CC[NH2+]C2	REAL300012110197	0	42	0.0	-69.31	333.36	5.36	-63.95
O=C([O-])C1=CC=C(CO)C(C2=CC(Cl)=C3C[NH2+]CCC3=C2)=C1	REAL300012110198	0	38	0.0	-83.15	317.33	6.47	-76.68
CC1CC2=CC=C(F)C(C3=CC(C(=O)[O-])=CC=C3CO)=C2C[NH2+]1	REAL300012110199	0	41	0.0	-76.05	333.38	6.80	-69.25
O=C([O-])C1=CC=C(CO)C(C2=CC=C(N3CC[NH2+]CC3)C=C2)=C1	REAL300012110207	0	43	0.0	-89.46	333.53	4.84	-84.62
CC1=CC(C2=CC(C(=O)[O-])=CC=C2CO)=CN=C1OCCC[NH+](C)C	REAL300012110235	0	49	0.0	-77.80	390.71	6.42	-71.38
[NH3+][C@@H]1CCC[C@@H]1N1C=C(C2=CC(C(=O)[O-])=CC=C2CO)C=N1	REAL300012110284	0	41	0.0	-69.45	322.50	4.19	-65.26
[NH3+][C@@H]1CCCC[C@@H]1N1C=C(C2=CC(C(=O)[O-])=CC=C2CO)C=N1	REAL300012110285	0	44	0.0	-86.23	337.33	5.13	-81.10
[NH3+][C@@H]1COC[C@@H]1N1C=C(C2=CC(C(=O)[O-])=CC=C2CO)C=N1	REAL300012110286	0	39	0.0	-74.96	316.03	1.56	-73.40
O=C([O-])C1=CC=C(CO)C(C2=CC=CC(C[NH+]3CCC(O)CC3)=C2)=C1	REAL300012110389	0	48	0.0	-76.53	373.15	6.38	-70.15
C[NH+](C)CCN1C=CC2=CC=C(C3=CC(C(=O)[O-])=CC=C3CO)C=C21	REAL300012110432	0	47	0.0	-71.36	375.70	9.92	-61.44
O=C([O-])C1=CC=C(CO)C(C2=C3C=CN(CC[NH+]4CCCC4)C3=CC=C2)=C1	REAL300012110433	0	51	0.0	-90.17	402.31	11.06	-79.11
C[N@@H+]1CCC[C@H]1C1=CC=C(C2=CC(C(=O)[O-])=CC=C2CO)N=C1	REAL300012110460	0	43	0.0	-78.61	336.15	8.05	-70.56
C[N@H+]1CCC[C@H]1C1=CC=C(C2=CC(C(=O)[O-])=CC=C2CO)N=C1	REAL300012110460	1	43	0.0	-77.92	327.84	7.41	-70.51
CC(C)[N@H+](C)CC1=CC=C(C2=CC(C(=O)[O-])=CC=C2CO)N=C1	REAL300012110613	0	45	0.0	-78.80	346.56	7.99	-70.81
CC(C)[N@@H+](C)CC1=CC=C(C2=CC(C(=O)[O-])=CC=C2CO)N=C1	REAL300012110613	1	45	0.0	-78.16	346.61	8.06	-70.10
CC[N@@H+]1CCC2=CC(C3=CC(C(=O)[O-])=CC=C3CO)=CC(F)=C2C1	REAL300012110618	0	44	0.0	-76.30	346.85	8.98	-67.32
CC[N@H+]1CCC2=CC(C3=CC(C(=O)[O-])=CC=C3CO)=CC(F)=C2C1	REAL300012110618	1	44	0.0	-75.87	346.91	8.98	-66.89
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O=C([O-])C1=CC=C(C(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)N=C1	REAL300012125777	0	46	0.0	-69.94	370.04	8.57	-61.37
CC(C)(C(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012125778	0	46	0.0	-79.95	352.44	9.53	-70.42
CC(C)C(C(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012125779	0	49	0.0	-67.63	368.06	9.05	-58.58
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CCC(CC)(C(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012125782	0	52	0.0	-61.30	387.38	9.60	-51.70
O=C([O-])C1(C(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)CC=CCC1	REAL300012125783	0	51	0.0	-66.00	384.65	10.15	-55.85
O=C([O-])C1(C(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)CC=CC1	REAL300012125784	0	48	0.0	-63.46	370.13	9.66	-53.80
CC(C)(C)C(C(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012125785	0	52	0.0	-56.80	381.75	9.84	-46.96
O=C([O-])C(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012125786	0	47	0.0	-63.30	367.51	9.51	-53.79
O=C([O-])C1(C(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)CC2CCC1C2	REAL300012125787	0	54	0.0	-66.21	397.74	10.62	-55.59
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O=C([O-])COC1=CC=CC(C(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300012125790	0	51	0.0	-84.58	403.71	10.56	-74.02
COC(C)(C(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012125791	0	47	0.0	-62.99	358.27	8.36	-54.63
CC1(C)CC1(C(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012125792	0	50	0.0	-61.19	381.39	9.91	-51.28
O=C([O-])C(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCC1	REAL300012125793	0	53	0.0	-63.54	399.69	10.54	-53.00
O=C([O-])C1(C(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)CCCCCC1	REAL300012125794	0	56	0.0	-70.04	393.85	11.12	-58.92
COC1=CC=C(C(CNC(=O)C2=CC=CC(C(=O)[O-])=C2)[NH+]2CCCCC2)C=C1	REAL300012126284	0	54	0.0	-86.88	408.38	9.87	-77.01
COC1=CC=C(C(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)[NH+]2CCCCC2)C=C1	REAL300012126285	0	54	0.0	-75.14	413.11	11.08	-64.06
COC1=CC=C(C(CNC(=O)C2(C(=O)[O-])CCC2)[NH+]2CCCCC2)C=C1	REAL300012126286	0	54	0.0	-56.86	402.31	9.24	-47.62
COC1=CC=C(C(CNC(=O)CCCC(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012126287	0	53	0.0	-76.57	395.18	8.47	-68.10
COC1=CC=C(C(CNC(=O)COCC(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012126288	0	51	0.0	-78.23	387.31	7.72	-70.51
COC1=CC=C(C(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)[NH+]2CCCCC2)C=C1	REAL300012126289	0	53	0.0	-67.40	412.99	8.52	-58.88
COC1=CC=C(C(CNC(=O)C(C)(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012126290	0	53	0.0	-74.91	388.13	9.13	-65.78
COC1=CC=C(C(CNC(=O)C(C(=O)[O-])C(C)C)[NH+]2CCCCC2)C=C1	REAL300012126291	0	56	0.0	-45.62	401.59	8.95	-36.67
COC1=CC=C(C(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+]2CCCCC2)C=C1	REAL300012126292	0	57	0.0	-81.30	421.57	10.62	-70.68
COC1=CC=C(C(CNC(=O)CCCCC(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012126293	0	56	0.0	-72.17	416.68	9.25	-62.92
CCC(CC)(C(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1	REAL300012126294	0	59	0.0	-51.65	423.07	9.18	-42.47
COC1=CC=C(C(CNC(=O)C2(C(=O)[O-])CC=CCC2)[NH+]2CCCCC2)C=C1	REAL300012126295	0	58	0.0	-56.71	427.97	10.11	-46.60
COC1=CC=C(C(CNC(=O)C2(C(=O)[O-])CC=CC2)[NH+]2CCCCC2)C=C1	REAL300012126296	0	55	0.0	-44.04	405.48	10.38	-33.66
COC1=CC=C(C(CNC(=O)C(C(=O)[O-])C(C)(C)C)[NH+]2CCCCC2)C=C1	REAL300012126297	0	59	0.0	-48.35	419.41	9.27	-39.08
COC1=CC=C(C(CNC(=O)C(C(=O)[O-])C2CC2)[NH+]2CCCCC2)C=C1	REAL300012126298	0	54	0.0	-47.91	399.27	9.19	-38.72
COC1=CC=C(C(CNC(=O)C2CCC(C(=O)[O-])CC2)[NH+]2CCCCC2)C=C1	REAL300012126299	0	60	0.0	-74.83	438.13	11.26	-63.57
COC1=CC=C(C(CNC(=O)C(C)(OC)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012126300	0	54	0.0	-46.78	393.97	7.94	-38.84
COC1=CC=C(C(CNC(=O)C2(C(=O)[O-])CC2(C)C)[NH+]2CCCCC2)C=C1	REAL300012126301	0	57	0.0	-54.37	427.45	10.37	-44.00
COC1=CC=C(C(CNC(=O)C(C(=O)[O-])C2CCCC2)[NH+]2CCCCC2)C=C1	REAL300012126302	0	60	0.0	-53.24	440.15	11.32	-41.92
CC1CC[NH+](C(CNC(=O)C2=CC=CC(C(=O)[O-])=C2)C2=CC=CS2)CC1	REAL300012126332	0	50	0.0	-84.86	392.73	10.33	-74.53
CC1CC[NH+](C(CNC(=O)C2=CC=C(C(=O)[O-])C=C2)C2=CC=CS2)CC1	REAL300012126333	0	50	0.0	-71.61	399.01	10.68	-60.93
CC1CC[NH+](C(CNC(=O)C2(C(=O)[O-])CCC2)C2=CC=CS2)CC1	REAL300012126334	0	50	0.0	-46.69	385.83	9.66	-37.03
CC1CC[NH+](C(CNC(=O)CCCC(=O)[O-])C2=CC=CS2)CC1	REAL300012126335	0	49	0.0	-71.25	385.82	9.28	-61.97
CC1CC[NH+](C(CNC(=O)COCC(=O)[O-])C2=CC=CS2)CC1	REAL300012126336	0	47	0.0	-73.04	377.95	8.53	-64.51
CC1CC[NH+](C(CNC(=O)C2=CC=C(C(=O)[O-])C=N2)C2=CC=CS2)CC1	REAL300012126337	0	49	0.0	-61.70	396.36	8.94	-52.76
CC1CC[NH+](C(CNC(=O)C(C)(C)C(=O)[O-])C2=CC=CS2)CC1	REAL300012126338	0	49	0.0	-69.86	378.89	9.87	-59.99
CC(C)C(C(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012126339	0	52	0.0	-53.84	399.87	9.67	-44.17
CC1CC[NH+](C(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300012126340	0	53	0.0	-79.21	400.50	9.89	-69.32
CC1CC[NH+](C(CNC(=O)CCCCC(=O)[O-])C2=CC=CS2)CC1	REAL300012126341	0	52	0.0	-68.17	407.32	10.06	-58.11
CCC(CC)(C(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012126342	0	55	0.0	-54.76	413.71	9.97	-44.79
CC1CC[NH+](C(CNC(=O)C2(C(=O)[O-])CC=CCC2)C2=CC=CS2)CC1	REAL300012126343	0	54	0.0	-52.18	411.80	10.53	-41.65
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CC[NH+](CC)CC1=CC=C(C(=O)NC2=C(C(=O)[O-])C=CS2)O1	REAL300012149906	0	40	0.0	-65.98	335.45	7.91	-58.07
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CC[N@H+](CC1=CC=C(C(=O)NC2=C(C(=O)[O-])C=CS2)C=C1)C(C)C	REAL300012150852	0	46	0.0	-69.96	358.15	9.69	-60.27
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CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012159923	0	46	0.0	-59.41	337.42	9.64	-49.77
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CC[N@H+](CC1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1)C(C)C	REAL300012160589	0	48	0.0	-75.25	346.91	9.11	-66.14
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CC[N@H+](CC1=CC=C(C(=O)NC2=C(C(=O)[O-])N3CCOCC3=N2)C=C1)C(C)C	REAL300012169000	0	54	0.0	-72.54	403.97	9.49	-63.05
CC[N@@H+](CC1=CC=C(C(=O)NC2=C(C(=O)[O-])N3CCOCC3=N2)C=C1)C(C)C	REAL300012169000	1	54	0.0	-74.68	399.13	9.40	-65.28
CC[NH+](CC)CC1=CC=C(C(=O)NC2=C(C(=O)[O-])N3CCCC3=N2)O1	REAL300012170090	0	47	0.0	-73.17	375.37	9.64	-63.53
O=C([O-])C1=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)N=C2CCCN21	REAL300012170201	0	51	0.0	-66.33	389.79	11.85	-54.48
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CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=C(C(=O)[O-])N4CCCC4=N3)C=C2)CC1	REAL300012170236	0	56	0.0	-81.62	421.09	10.33	-71.29
CC[N@H+](CC1=CC=C(C(=O)NC2=C(C(=O)[O-])N3CCCC3=N2)C=C1)C(C)C	REAL300012170965	0	53	0.0	-77.68	398.06	11.41	-66.27
CC[N@@H+](CC1=CC=C(C(=O)NC2=C(C(=O)[O-])N3CCCC3=N2)C=C1)C(C)C	REAL300012170965	1	53	0.0	-78.05	392.41	11.14	-66.91
CC1C[NH+](CC2=CC=C(C(=O)NC3=C(C(=O)[O-])N4CCCC4=N3)C=C2)CC(C)O1	REAL300012171055	1	55	0.0	-83.52	427.91	10.84	-72.68
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=C(C(=O)[O-])N3CCCC3=N2)C=C1	REAL300012171432	0	54	0.0	-79.01	414.26	10.82	-68.19
CC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012171598	0	53	0.0	-63.10	412.58	8.10	-55.00
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COC1(C)CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1(C)C	REAL300012172127	0	60	0.0	-64.05	439.46	6.47	-57.58
CCOC(CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C(C)C	REAL300012172406	0	62	0.0	-60.60	456.64	6.91	-53.69
CCOC(CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCC1	REAL300012173166	0	66	0.0	-58.12	480.30	8.30	-49.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC(C)(C)CC2)CC1	REAL300012173728	0	62	0.0	-58.06	442.04	8.48	-49.58
CCSC1CCCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012174310	0	60	0.0	-61.69	452.07	9.46	-52.23
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(CS(C)(=O)=O)CC2)CC1	REAL300012174622	0	56	0.0	-72.97	442.63	3.92	-69.05
CC(C)CC(C)(C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012175979	0	61	0.0	-58.25	433.79	8.11	-50.14
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCO1	REAL300012176446	0	57	0.0	-60.88	421.26	6.09	-54.79
COCCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCC1	REAL300012176699	0	60	0.0	-65.70	446.87	6.67	-59.03
CC1=CC=C(SCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012177294	0	57	0.0	-59.21	447.67	9.07	-50.14
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C3CCCC3=C2)CC1	REAL300012177583	0	57	0.0	-63.31	436.69	9.33	-53.98
CC1=CC=CC(C)=C1OCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012178131	0	60	0.0	-62.84	457.09	8.36	-54.48
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC3=CC=CC=C3O2)CC1	REAL300012178422	0	53	0.0	-67.55	419.06	7.92	-59.63
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2=CC=CC(Cl)=C2)CC1	REAL300012178734	0	54	0.0	-64.35	432.60	7.32	-57.03
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C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NN=C3CCCCN23)CC1	REAL300012179999	0	56	0.0	-73.97	428.61	7.38	-66.59
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3=CC=CC=C32)CC1	REAL300012180980	0	54	0.0	-63.40	418.42	8.70	-54.70
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012181275	0	55	0.0	-61.62	436.88	8.93	-52.69
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCS(C)(=O)=O)CC1	REAL300012181816	0	52	0.0	-70.19	411.19	2.47	-67.72
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CC1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)=C1	REAL300012184707	0	59	0.0	-63.38	449.43	9.31	-54.07
COC1=CC=C(CCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012185013	0	60	0.0	-61.17	458.47	8.03	-53.14
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CC1=NC=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012185460	0	51	0.0	-68.04	402.80	5.34	-62.70
CC1=NOC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012185940	0	48	0.0	-63.24	382.75	3.02	-60.22
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CCC1CCC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012186633	0	62	0.0	-62.09	445.32	8.83	-53.26
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCSC2=CC=CC=C2)CC1	REAL300012187494	0	54	0.0	-59.11	426.27	8.39	-50.72
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC2=CC=CC=C2O1	REAL300012188042	0	56	0.0	-66.41	439.06	8.75	-57.66
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=C3OCOC3=C2)CC1	REAL300012189099	0	56	0.0	-61.11	433.54	6.61	-54.50
COC1=CC=C(C)C=C1C(C)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012190120	0	60	0.0	-65.90	457.36	8.32	-57.58
COC1=CC=C(C)C=C1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012190429	0	60	0.0	-64.51	462.40	8.21	-56.30
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOCC2CC2)CC1	REAL300012191219	0	57	0.0	-59.51	434.75	6.55	-52.96
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CC(F)=C2)CC1	REAL300012191454	0	53	0.0	-58.97	413.88	8.02	-50.95
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOC2CCCCC2)CC1	REAL300012191741	0	63	0.0	-59.20	464.98	7.63	-51.57
CC(C)COCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012191997	0	59	0.0	-59.17	444.69	6.46	-52.71
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOCC2CCCO2)CC1	REAL300012192586	0	61	0.0	-62.90	460.16	5.42	-57.48
COC1=CC=C(OCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012192898	0	58	0.0	-64.46	445.37	6.08	-58.38
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOC2=CC=CC=C2)CC1	REAL300012193368	0	57	0.0	-60.39	437.44	7.54	-52.85
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3CCCCC3C2)CC1	REAL300012194423	0	63	0.0	-62.41	450.89	9.84	-52.57
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOC2=CC=CC=C2F)CC1	REAL300012194895	0	57	0.0	-63.11	443.66	7.61	-55.50
CC1=CC=CC(OCCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012195200	0	60	0.0	-60.63	458.85	8.21	-52.42
CN(CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012195942	0	58	0.0	-59.40	437.64	7.87	-51.53
CC1=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CS1	REAL300012196832	0	49	0.0	-62.90	397.75	5.11	-57.79
CC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1F	REAL300012197362	0	53	0.0	-62.68	417.91	8.11	-54.57
CC1=CSC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012197803	0	49	0.0	-62.37	397.77	5.13	-57.24
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C3=CC=CC=C3)CCC2)CC1	REAL300012198082	0	60	0.0	-63.07	453.85	9.84	-53.23
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C3=CC=CC=C3)CC2)CC1	REAL300012198374	0	57	0.0	-64.72	435.06	9.30	-55.42
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012199138	0	56	0.0	-56.95	434.01	8.93	-48.02
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC(C(F)(F)F)C2)CC1	REAL300012200471	0	56	0.0	-62.31	430.89	8.04	-54.27
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC(C(F)(F)F)CC2)CC1	REAL300012201050	0	56	0.0	-66.49	426.47	8.47	-58.02
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC=CCC2)CC1	REAL300012202391	0	54	0.0	-62.23	405.52	7.69	-54.54
CC1=CC=CC=C1OCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012202737	0	57	0.0	-63.43	435.94	7.55	-55.88
CC1=CC=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012203266	0	56	0.0	-59.49	428.87	8.62	-50.87
CCOC1=CC=CC(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012203562	0	60	0.0	-62.73	460.02	8.48	-54.25
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=C(F)C=C2F)CC1	REAL300012203864	0	53	0.0	-61.55	424.55	8.30	-53.25
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300012204480	0	55	0.0	-65.57	440.90	8.85	-56.72
COC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012204869	0	57	0.0	-61.27	437.25	7.12	-54.15
CC1=NC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300012205107	0	49	0.0	-64.08	397.88	5.38	-58.70
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3=C(F)C=CC=C32)CC1	REAL300012205363	0	54	0.0	-62.03	420.91	8.75	-53.28
COC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1C	REAL300012206437	0	57	0.0	-63.45	440.76	7.46	-55.99
CC1=CC(C)=CC(OCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012206966	0	60	0.0	-64.24	458.68	8.13	-56.11
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3=C(Cl)C=CC=C32)CC1	REAL300012208267	0	54	0.0	-61.62	430.83	9.18	-52.44
CC1CCCCC1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012210585	0	59	0.0	-62.33	430.26	8.28	-54.05
CC1=NC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CS1	REAL300012210814	0	52	0.0	-62.94	413.72	5.67	-57.27
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CSC=N2)CC1	REAL300012211042	0	49	0.0	-62.68	391.77	4.96	-57.72
COC1=CC=C(OC)C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012211318	0	58	0.0	-65.91	449.09	6.03	-59.88
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NN=C(C(C)(C)C)S2)CC1	REAL300012211631	0	57	0.0	-69.21	452.70	6.03	-63.18
CCC1=NOC(CC)=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012211918	0	58	0.0	-64.46	451.28	7.71	-56.75
CC(C)CC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012212461	0	59	0.0	-61.58	437.89	8.73	-52.85
CCCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCC1	REAL300012212974	0	59	0.0	-63.19	434.58	8.37	-54.82
COCCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012213191	0	57	0.0	-64.36	436.51	6.22	-58.14
CCC1=NN(C)C(CC)=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012213471	0	62	0.0	-67.17	476.05	7.63	-59.54
CCCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012213682	0	56	0.0	-63.02	424.49	7.92	-55.10
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC3OCCC32)CC1	REAL300012213893	0	58	0.0	-62.48	428.34	6.38	-56.10
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2C3C2C2CCC3C2)CC1	REAL300012214120	0	55	0.0	-64.65	386.34	9.61	-55.04
C=C(C)COCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012214314	0	54	0.0	-63.10	413.80	5.69	-57.41
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2C3CC4=CC=CC=C4C23)CC1	REAL300012214869	0	58	0.0	-65.35	446.57	10.06	-55.29
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2C3CCC4=CC=CC=C4C32)CC1	REAL300012215183	0	58	0.0	-59.40	431.67	10.12	-49.28
CC1=NOC(C)=C1C(C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012216083	0	58	0.0	-59.91	434.76	7.14	-52.77
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC3=CC(F)=CC=C32)CC1	REAL300012216387	0	57	0.0	-61.57	430.94	8.91	-52.66
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1	REAL300012216646	0	60	0.0	-62.96	444.85	9.12	-53.84
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2COC3=CC(F)=CC(F)=C32)CC1	REAL300012218208	0	52	0.0	-58.56	411.46	6.33	-52.23
COC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1C	REAL300012219165	0	57	0.0	-63.45	440.76	7.46	-55.99
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCCCO2)CC1	REAL300012220318	0	57	0.0	-62.24	427.29	6.31	-55.93
CC1=C(C)SC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012220552	0	52	0.0	-66.68	416.66	5.87	-60.81
CC1=CSC(C(C)CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012220822	0	55	0.0	-65.41	437.30	6.57	-58.84
CC1=NC(C)=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300012221070	0	52	0.0	-63.92	417.43	5.89	-58.03
CCC1=CC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012221311	0	56	0.0	-63.47	427.07	8.87	-54.60
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC3=CC=CC=C3O2)CC1	REAL300012221608	0	56	0.0	-65.21	440.56	8.69	-56.52
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC(C)(C)C)CC1	REAL300012222084	0	58	0.0	-58.18	424.29	7.40	-50.78
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C3=CC=CC(F)=C3)CC2)CC1	REAL300012222350	0	57	0.0	-63.42	449.34	9.53	-53.89
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC2C2=CC=CC(Cl)=C2)CC1	REAL300012222955	0	54	0.0	-66.02	430.53	9.54	-56.48
CCCCC1CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012224775	0	65	0.0	-62.58	475.59	9.91	-52.67
CC1=NOC(C)=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012225549	0	52	0.0	-64.85	408.31	6.19	-58.66
C=CCSCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012225752	0	51	0.0	-58.61	405.07	6.83	-51.78
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC(C3CC3)=NO2)CC1	REAL300012226500	0	52	0.0	-63.49	414.14	4.53	-58.96
C=C(Br)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012227522	0	44	0.0	-57.43	360.20	5.34	-52.09
CC1=NOC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012228343	0	49	0.0	-61.60	388.11	5.59	-56.01
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOCC2CC2)CC1	REAL300012228981	0	54	0.0	-62.37	413.18	5.80	-56.57
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCCC3=CC=CC=C32)CC1	REAL300012229248	0	60	0.0	-59.36	430.74	10.22	-49.14
CN(C)C1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1F	REAL300012230090	0	58	0.0	-62.09	452.09	6.96	-55.13
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCSCC2)CC1	REAL300012230338	0	54	0.0	-58.00	407.80	7.32	-50.68
CC1=CC=CC=C1C(C)(C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012230779	0	62	0.0	-62.71	450.97	9.53	-53.18
CC1=CC=CC(C(C)(C)CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012231373	0	62	0.0	-58.95	457.07	9.69	-49.26
CC1=CC=CC(C(C)CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012231664	0	59	0.0	-63.60	449.68	9.43	-54.17
COC1=CC(C)=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012231951	0	57	0.0	-63.39	442.09	7.38	-56.01
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCOC2)CC1	REAL300012232126	0	48	0.0	-64.68	366.08	3.97	-60.71
CC1=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N=CO1	REAL300012232254	0	49	0.0	-63.85	386.32	2.73	-61.12
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCOCC1	REAL300012232448	0	57	0.0	-62.72	416.74	5.91	-56.81
CC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1Cl	REAL300012233600	0	53	0.0	-62.27	426.65	8.51	-53.76
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOC2CCOCC2)CC1	REAL300012233906	0	61	0.0	-60.70	456.17	5.24	-55.46
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])CC1=CC=CS1	REAL300012234873	0	56	0.0	-58.60	434.46	8.40	-50.20
CCC(CC)C1=NOC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012235177	0	61	0.0	-66.02	465.53	8.06	-57.96
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])SC1=CC=CC=C1	REAL300012235485	0	57	0.0	-59.53	441.32	9.01	-50.52
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])OC1=CC=C(F)C=C1	REAL300012235792	0	57	0.0	-61.96	440.20	7.42	-54.54
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])OC1=CC=CC=C1F	REAL300012236518	0	57	0.0	-61.58	439.69	7.50	-54.08
CC1=CC=CC=C1OC(C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012236823	0	60	0.0	-59.89	453.54	8.18	-51.71
CSC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCOCC1	REAL300012237847	0	58	0.0	-63.01	433.80	6.23	-56.78
CC1=CN=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300012238286	0	49	0.0	-62.57	397.89	5.34	-57.23
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C2CC2)C2CC2)CC1	REAL300012238490	0	57	0.0	-62.24	433.61	8.82	-53.42
COC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(OC)=C1	REAL300012239251	0	58	0.0	-65.18	449.10	6.04	-59.14
CCOC1=CC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012239539	0	57	0.0	-65.08	441.47	7.68	-57.40
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CC=C2Cl)CC1	REAL300012239828	0	53	0.0	-65.31	425.36	8.56	-56.75
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(F)C(F)=C2)CC1	REAL300012240099	0	50	0.0	-64.77	403.89	7.54	-57.23
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOC2=CC=C(F)C=C2)CC1	REAL300012240693	0	57	0.0	-59.88	443.85	7.61	-52.27
CC1=CC=C(OCCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012240998	0	60	0.0	-64.52	464.05	8.44	-56.08
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CC3CCC2C3)CC1	REAL300012241829	0	60	0.0	-62.56	437.20	8.70	-53.86
CC1=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=CO1	REAL300012242336	0	50	0.0	-62.68	393.02	6.17	-56.51
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOC2CCCC2)CC1	REAL300012243415	0	60	0.0	-59.46	447.77	7.06	-52.40
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC(F)=CC(F)=C2)CC1	REAL300012243707	0	53	0.0	-58.40	420.29	8.09	-50.31
CCC1=NC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CS1	REAL300012243995	0	55	0.0	-62.84	435.20	6.42	-56.42
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2COC3=CC=CC=C32)CC1	REAL300012244243	0	52	0.0	-59.31	399.85	6.36	-52.95
CC1=NOC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012244952	0	51	0.0	-60.55	399.04	3.55	-57.00
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCOC3=CC=CC=C32)CC1	REAL300012245582	0	58	0.0	-66.14	434.44	8.97	-57.17
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCOC3=CC=CC=C32)CC1	REAL300012246188	0	58	0.0	-63.97	439.05	7.88	-56.09
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2=CC=C(Cl)C=C2)CC1	REAL300012247468	0	56	0.0	-59.31	445.70	9.25	-50.06
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCSCC2)CC1	REAL300012248683	0	51	0.0	-58.15	388.40	6.54	-51.61
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C2=CC=CC=C2F)CC1	REAL300012249186	0	59	0.0	-66.56	442.89	9.27	-57.29
CC1=CC=C(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012250199	0	56	0.0	-63.19	430.12	8.94	-54.25
CSCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012251547	0	50	0.0	-59.33	392.29	6.16	-53.17
CC1=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])SC=C1	REAL300012251734	0	50	0.0	-61.71	400.57	7.07	-54.64
CC(C)OC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012252012	0	60	0.0	-63.29	460.46	8.28	-55.01
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012252587	0	52	0.0	-70.30	419.40	8.09	-62.21
CCOCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012252764	0	50	0.0	-61.89	381.51	4.22	-57.67
CC(C)OC1=CC=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012252987	0	60	0.0	-66.40	460.46	8.27	-58.13
CC(C)OC1=CC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012253296	0	60	0.0	-66.67	459.42	8.31	-58.36
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(F)C(Cl)=C2)CC1	REAL300012253608	0	50	0.0	-63.70	413.78	7.98	-55.72
COC1=CC=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1OC	REAL300012254201	0	58	0.0	-64.96	447.17	7.20	-57.76
CC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300012254722	0	50	0.0	-62.06	403.29	7.32	-54.74
CC1=CC=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012255204	0	53	0.0	-63.19	412.59	8.09	-55.10
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCN2C=CC=N2)CC1	REAL300012255405	0	53	0.0	-62.39	409.96	5.92	-56.47
COC1=CC=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012255660	0	57	0.0	-60.50	436.98	7.25	-53.25
CCOC1=CC=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012256217	0	57	0.0	-66.26	442.54	7.64	-58.62
CC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)=C1	REAL300012256767	0	56	0.0	-62.79	429.72	8.88	-53.91
CC1=CC(C)=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)=C1	REAL300012257044	0	59	0.0	-59.33	442.00	8.88	-50.45
CCC1CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012257283	0	59	0.0	-64.60	428.16	8.77	-55.83
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CSC=C2)CC1	REAL300012257772	0	47	0.0	-62.48	381.16	6.34	-56.14
CC1CC1C1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])O1	REAL300012258013	0	57	0.0	-62.87	444.04	8.63	-54.24
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012258319	0	56	0.0	-60.19	439.23	9.16	-51.03
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC(F)=CC=C1F	REAL300012258917	0	53	0.0	-63.31	419.54	8.43	-54.88
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCOC2)CC1	REAL300012259123	0	51	0.0	-64.71	387.06	4.58	-60.13
COCC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012259343	0	57	0.0	-63.78	446.25	7.15	-56.63
COCC1=CC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012259630	0	57	0.0	-63.42	440.93	7.27	-56.15
COCC1=CC=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012259917	0	57	0.0	-64.48	446.25	7.14	-57.34
CCOCC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012260223	0	60	0.0	-63.74	468.10	8.12	-55.62
CCOCC1=CC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012260532	0	60	0.0	-63.26	462.77	8.24	-55.02
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(C)C=C1	REAL300012261279	0	59	0.0	-62.60	443.93	9.31	-53.29
CCS(=O)(=O)NCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012261829	0	54	0.0	-63.65	426.07	1.21	-62.44
CC1=CSC(CCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012262499	0	55	0.0	-62.04	435.56	6.44	-55.60
CC1=CC=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012263028	0	56	0.0	-59.49	428.87	8.62	-50.87
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOCC2=CC=CC=C2)CC1	REAL300012263554	0	57	0.0	-63.84	441.42	7.27	-56.57
CC1=CC=CC=C1C1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012264144	0	60	0.0	-65.56	456.14	9.96	-55.60
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC3=C2C=CS3)CC1	REAL300012264714	0	54	0.0	-59.05	410.80	7.61	-51.44
CC1=CC=CC=C1OCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012265551	0	60	0.0	-60.41	457.51	8.29	-52.12
CC1=NOC(CCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012265811	0	54	0.0	-62.47	420.54	4.32	-58.15
CCOC1=CC=CC=C1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012266396	0	60	0.0	-67.00	462.85	8.47	-58.53
COC1=CC=CC2=C1CCC2NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012266989	0	58	0.0	-64.02	443.92	7.96	-56.06
C[C@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012267595	0	53	0.0	-62.97	408.71	8.26	-54.71
C[C@@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012267794	0	53	0.0	-63.37	408.68	8.25	-55.12
CC1=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])SC=N1	REAL300012268537	0	49	0.0	-63.08	395.48	5.16	-57.92
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCOC2)CC1	REAL300012269177	0	51	0.0	-62.27	384.47	4.73	-57.54
CC1=CC=C(C(C)(C)CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012269712	0	62	0.0	-58.96	457.07	9.69	-49.27
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C2=CC=C(F)C=C2)CC1	REAL300012270023	0	59	0.0	-58.39	442.05	9.08	-49.31
CCOC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1C	REAL300012270787	0	60	0.0	-64.15	462.61	8.39	-55.76
CC1CCCC1NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012271502	0	53	0.0	-59.70	384.87	7.13	-52.57
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=NC(C)=CS1	REAL300012271924	0	55	0.0	-61.14	430.70	6.34	-54.80
CC1=CC=CC2=C1CCC2NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012272209	0	57	0.0	-61.99	427.78	8.86	-53.13
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCNS(C)(=O)=O)CC1	REAL300012272462	0	51	0.0	-64.38	404.60	0.32	-64.06
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])N(C)C1=CC=CC=C1	REAL300012273439	0	61	0.0	-60.26	452.47	8.64	-51.62
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(Cl)S1	REAL300012273745	0	50	0.0	-61.90	417.36	7.96	-53.94
CC1=CC(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C(C)S1	REAL300012274038	0	56	0.0	-63.29	438.95	8.73	-54.56
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3=CC=C(F)C=C32)CC1	REAL300012275124	0	54	0.0	-59.38	414.17	8.31	-51.07
CC1=CC(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC(C)=C1	REAL300012275411	0	59	0.0	-63.02	451.48	9.58	-53.44
CC1=NOC(C)=C1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012276246	0	55	0.0	-60.05	424.60	6.72	-53.33
COC1=CC(Cl)=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012276545	0	54	0.0	-63.15	436.35	7.27	-55.88
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC2C2=CC=C(F)C=C2)CC1	REAL300012277277	0	54	0.0	-63.71	425.20	8.89	-54.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2=CC=CC(F)=C2)CC1	REAL300012277565	0	56	0.0	-60.92	435.38	8.80	-52.12
CC1=NC(C)=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300012278049	0	55	0.0	-64.53	438.60	6.64	-57.89
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(F)C=C1F	REAL300012278568	0	56	0.0	-61.42	439.71	8.86	-52.56
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CCCC2)CC1	REAL300012279049	0	56	0.0	-62.90	413.11	7.76	-55.14
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CN(C)N=C1	REAL300012280115	0	53	0.0	-66.86	412.87	5.99	-60.87
CCC1=NOC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012280610	0	52	0.0	-61.47	409.57	6.32	-55.15
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012281193	0	55	0.0	-61.51	435.69	8.62	-52.89
CC1=CC(C)=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)=C1	REAL300012281503	0	62	0.0	-59.46	461.97	9.63	-49.83
CCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012282010	0	53	0.0	-62.04	403.01	7.16	-54.88
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CCCO2)CC1	REAL300012282453	0	54	0.0	-60.06	400.34	5.24	-54.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCS(=O)(=O)CC2)CC1	REAL300012282720	0	56	0.0	-64.83	426.61	3.65	-61.18
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC3=CC=CC=C32)CC1	REAL300012283023	0	56	0.0	-64.51	434.03	9.51	-55.00
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CO2)CC1	REAL300012283224	0	47	0.0	-62.81	371.93	5.55	-57.26
CCCCC(CC)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012283398	0	61	0.0	-58.11	441.79	8.44	-49.67
CCCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012283552	0	52	0.0	-58.26	390.55	6.49	-51.77
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012283701	0	53	0.0	-59.49	403.50	8.02	-51.47
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(Cl)C=C2)CC1	REAL300012283925	0	50	0.0	-57.92	402.70	7.70	-50.22
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC=C2)CC1	REAL300012284122	0	50	0.0	-62.99	391.17	7.42	-55.57
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCCC2)CC1	REAL300012284267	0	53	0.0	-62.71	393.52	7.11	-55.60
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCO2)CC1	REAL300012284400	0	51	0.0	-60.03	383.11	4.46	-55.57
COCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012284511	0	50	0.0	-59.35	381.23	4.00	-55.35
CC(C)CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012284603	0	52	0.0	-58.30	386.62	6.22	-52.08
CCCCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012284722	0	55	0.0	-58.26	412.05	7.27	-50.99
COC1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012284942	0	57	0.0	-64.84	442.19	7.48	-57.36
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC=C2Cl)CC1	REAL300012285199	0	50	0.0	-62.06	405.59	7.87	-54.19
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC(Cl)=C2)CC1	REAL300012285446	0	50	0.0	-63.88	407.91	7.93	-55.95
COC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012285691	0	54	0.0	-64.27	420.68	6.72	-57.55
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC2)CC1	REAL300012285851	0	50	0.0	-63.43	375.29	6.56	-56.87
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CNC3=CC=CC=C23)CC1	REAL300012286077	0	57	0.0	-64.84	444.59	8.24	-56.60
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC3=CC=CC=C32)CC1	REAL300012286370	0	57	0.0	-59.89	418.16	8.45	-51.44
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=C(Cl)C=C2)CC1	REAL300012286659	0	53	0.0	-62.74	429.42	8.70	-54.04
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2=CC=CC=C2)CC1	REAL300012287213	0	56	0.0	-59.56	428.96	8.73	-50.83
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CCCCC2)CC1	REAL300012287438	0	57	0.0	-58.52	423.29	8.17	-50.35
CC1=CC=CC=C1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012287950	0	56	0.0	-63.14	428.02	8.65	-54.49
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CC3=CC=CC=C3C2)CC1	REAL300012288542	0	60	0.0	-62.18	452.71	9.94	-52.24
COC1=CC(C)=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012289103	0	57	0.0	-65.22	441.03	7.42	-57.80
COCCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012290877	0	53	0.0	-59.26	402.73	4.78	-54.48
CC1CCCCC1OCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012291700	0	63	0.0	-67.17	466.36	7.95	-59.22
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=COC=C2)CC1	REAL300012292480	0	47	0.0	-63.49	371.92	5.37	-58.12
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2CCCC2)CC1	REAL300012292648	0	59	0.0	-58.21	433.26	8.32	-49.89
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CSC3=CC=CC=C23)CC1	REAL300012292927	0	53	0.0	-64.13	428.08	8.80	-55.33
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCSC(C)(C)C)CC1	REAL300012293427	0	56	0.0	-58.55	427.13	7.37	-51.18
CC1=CC=C(OC(C)CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012294029	0	60	0.0	-68.28	460.11	8.33	-59.95
CCC(C)(C)C1CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012294581	0	68	0.0	-62.25	476.54	9.57	-52.68
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CC4CC(CC(C4)C2)C3)CC1	REAL300012294886	0	64	0.0	-63.39	450.41	9.63	-53.76
CC1=CC=C(OCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012295471	0	57	0.0	-63.73	437.27	7.47	-56.26
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCSC2=CC=CC=C2)CC1	REAL300012295778	0	57	0.0	-60.07	447.76	9.17	-50.90
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3=CC=CC=C3C2)CC1	REAL300012297734	0	54	0.0	-62.59	414.12	8.70	-53.89
CC(C)C1=NOC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012298601	0	57	0.0	-60.36	441.35	4.62	-55.74
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)NS(C)(=O)=O)CC1	REAL300012298904	0	57	0.0	-67.12	428.06	1.80	-65.32
C=CCOC1=CC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012299427	0	58	0.0	-65.10	454.37	8.27	-56.83
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3=CC=CC=C32)CC1	REAL300012300014	0	57	0.0	-65.97	433.21	9.29	-56.68
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CCOC2)CC1	REAL300012300237	0	54	0.0	-64.94	403.87	5.31	-59.63
CC1CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C2=CC=CC=C21	REAL300012300753	0	60	0.0	-59.64	435.17	8.92	-50.72
CC1=CC(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C(C)S1	REAL300012301046	0	56	0.0	-63.29	438.95	8.73	-54.56
CC1=CC=C2OCC(NC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])C2=C1	REAL300012301330	0	55	0.0	-60.82	421.13	7.06	-53.76
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=NOC(C)=N1	REAL300012301587	0	54	0.0	-66.69	416.76	3.98	-62.71
CSC1CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012301829	0	54	0.0	-64.06	418.55	7.59	-56.47
CCC1=CN=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300012302547	0	55	0.0	-59.68	435.66	6.65	-53.03
CCC1=CN=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300012302795	0	52	0.0	-65.63	419.37	6.13	-59.50
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NN=NN2C2CC2)CC1	REAL300012303037	0	52	0.0	-70.90	412.20	5.04	-65.86
CSC(C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012303231	0	50	0.0	-58.70	387.78	6.10	-52.60
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CCCS2)CC1	REAL300012303431	0	54	0.0	-68.37	414.02	7.62	-60.75
CSC1=CC(C)=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012304583	0	57	0.0	-64.58	450.25	8.96	-55.62
CC(C)C1CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012305250	0	62	0.0	-62.32	444.99	9.23	-53.09
COCCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCCC1	REAL300012305782	0	63	0.0	-64.72	462.25	7.40	-57.32
CCOCCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCCC1	REAL300012306098	0	66	0.0	-64.67	484.10	8.36	-56.31
CC(C)CC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCCC1	REAL300012306386	0	65	0.0	-63.42	461.33	9.65	-53.77
CCC(CC)C1CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCO1	REAL300012307438	0	66	0.0	-57.33	466.78	8.10	-49.23
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCOC(C3CC3)C2)CC1	REAL300012307694	0	58	0.0	-61.88	435.09	7.21	-54.67
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCOC3(CCCC3)C2)CC1	REAL300012307973	0	61	0.0	-57.99	438.19	6.90	-51.09
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCOC3(CCCCC3)C2)CC1	REAL300012308276	0	64	0.0	-61.78	458.75	7.87	-53.91
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOC2CCOC2)CC1	REAL300012308774	0	58	0.0	-60.21	438.51	4.42	-55.79
COC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C(C)C	REAL300012310318	0	56	0.0	-60.05	415.48	5.46	-54.59
CC1=CN=C(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300012311262	0	52	0.0	-65.45	417.94	6.20	-59.25
CCC1=NC(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CS1	REAL300012311709	0	55	0.0	-65.90	438.45	6.88	-59.02
CC(C)N1C=C(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012311994	0	59	0.0	-66.10	453.03	7.38	-58.72
CC1=NC=C2C(=N1)CCCC2NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012312827	0	58	0.0	-63.74	429.93	6.37	-57.37
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2CCCCCC2)CC1	REAL300012313365	0	63	0.0	-61.91	454.70	7.31	-54.60
CC1=NOC(C)=C1C(C)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012314710	0	55	0.0	-64.95	421.96	7.10	-57.85
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NOC=C2)CC1	REAL300012314894	0	46	0.0	-63.34	366.17	4.73	-58.61
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C2=CC=CS2)CC1	REAL300012315112	0	56	0.0	-62.86	435.49	8.57	-54.29
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC3=CNN=C32)CC1	REAL300012315650	0	54	0.0	-70.96	410.52	5.42	-65.54
CC(C)C1=NOC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012315894	0	55	0.0	-66.09	428.62	6.85	-59.24
CC1=CC=CC(C)=C1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012316168	0	59	0.0	-63.45	445.75	9.20	-54.25
COC1=CC(F)=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012316457	0	54	0.0	-63.51	427.10	6.78	-56.73
COC1=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1F	REAL300012316760	0	57	0.0	-61.08	443.20	7.32	-53.76
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC(C)(C)CC2)CC1	REAL300012316998	0	59	0.0	-58.79	422.28	7.77	-51.02
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCOCC2)CC1	REAL300012317172	0	51	0.0	-59.40	379.25	4.47	-54.93
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC3=CC=CC=C32)CC1	REAL300012317547	0	60	0.0	-63.66	447.64	9.76	-53.90
CC1=CSC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012317808	0	52	0.0	-66.34	419.27	5.89	-60.45
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC3=C2C=CO3)CC1	REAL300012318053	0	54	0.0	-64.84	409.60	7.17	-57.67
CCC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300012318300	0	53	0.0	-61.80	424.77	8.10	-53.70
COC1=CC=C(F)C=C1C(C)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012319728	0	57	0.0	-66.03	442.40	7.75	-58.28
CN1C=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012319961	0	53	0.0	-61.95	410.28	5.73	-56.22
COC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1F	REAL300012320218	0	54	0.0	-67.32	426.91	6.79	-60.53
CN1N=CC2=C1CCCC2NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012320502	0	57	0.0	-63.21	424.31	6.23	-56.98
CC1=C(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=NN1C	REAL300012320758	0	56	0.0	-67.16	429.28	6.43	-60.73
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2=CC=C(F)C=C2)CC1	REAL300012321035	0	54	0.0	-62.38	422.28	6.85	-55.53
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC2)CC1	REAL300012321229	0	53	0.0	-61.66	396.38	7.10	-54.56
CCOCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012322193	0	53	0.0	-59.41	403.08	4.96	-54.45
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=C(F)C=C2)CC1	REAL300012322389	0	53	0.0	-63.13	419.09	8.25	-54.88
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(F)C=C2)CC1	REAL300012322612	0	50	0.0	-58.35	392.38	7.25	-51.10
CCCCOCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012323037	0	59	0.0	-59.16	446.08	6.54	-52.62
CC(C)OCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012323456	0	56	0.0	-59.43	423.36	5.71	-53.72
COC1=CC=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012323674	0	54	0.0	-63.66	420.69	6.71	-56.95
CC1CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012323879	0	56	0.0	-63.95	409.93	8.13	-55.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CS2)CC1	REAL300012324048	0	47	0.0	-61.74	381.41	6.51	-55.23
CC1=CC(C)=NN1CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012324588	0	59	0.0	-64.63	451.64	6.98	-57.65
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300012325061	0	53	0.0	-62.57	415.07	8.32	-54.25
COC1=CC=CC=C1C(C)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012325614	0	57	0.0	-65.64	435.97	7.66	-57.98
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2=CC=CC=C2)CC1	REAL300012325869	0	54	0.0	-63.68	415.87	6.79	-56.89
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCOC3=CC=CC=C32)CC1	REAL300012326146	0	55	0.0	-63.16	415.82	7.00	-56.16
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCSC3=CC=CC=C32)CC1	REAL300012326452	0	55	0.0	-60.68	417.09	8.11	-52.57
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300012326744	0	53	0.0	-60.67	425.39	8.78	-51.89
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012327030	0	53	0.0	-62.16	425.40	8.77	-53.39
CCC1=CC=C(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012327314	0	59	0.0	-63.43	451.56	9.69	-53.74
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012327626	0	59	0.0	-63.64	454.67	10.53	-53.11
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C3=CC=C(F)C=C3)CC2)CC1	REAL300012327931	0	57	0.0	-65.23	446.60	9.66	-55.57
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCCCC2)CC1	REAL300012328173	0	59	0.0	-61.77	433.46	8.35	-53.42
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC(C)(C)C)CC1	REAL300012329588	0	55	0.0	-58.30	402.79	6.59	-51.71
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2=CC=CC(F)=C2)CC1	REAL300012329810	0	54	0.0	-65.42	422.28	6.86	-58.56
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC3=CC=CC=C3C=C2)CC1	REAL300012330950	0	56	0.0	-64.80	437.30	9.67	-55.13
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2COC3=CC=CC=C3C2)CC1	REAL300012331241	0	55	0.0	-63.16	422.61	7.37	-55.79
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])CN1C=CC=N1	REAL300012331495	0	56	0.0	-61.57	423.38	6.83	-54.74
CC1=CC=CC=C1C(C)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012332012	0	56	0.0	-63.91	424.41	8.81	-55.10
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(F)C=C1F	REAL300012332543	0	53	0.0	-61.57	419.50	8.41	-53.16
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC3=CC=CC=C3S2)CC1	REAL300012333131	0	52	0.0	-68.23	422.85	6.86	-61.37
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012333447	0	59	0.0	-64.25	450.32	10.43	-53.82
COC1=CC=CC=C1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012333733	0	57	0.0	-64.44	441.01	7.55	-56.89
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CS2)CC1	REAL300012334278	0	50	0.0	-63.09	402.91	7.28	-55.81
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CO2)CC1	REAL300012334740	0	50	0.0	-60.91	388.22	6.06	-54.85
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3=CC=CC=C3C2)CC1	REAL300012335223	0	57	0.0	-62.44	431.65	9.23	-53.21
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CC(Cl)=C2)CC1	REAL300012335512	0	53	0.0	-58.56	424.20	8.46	-50.10
CC1=CC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012335741	0	53	0.0	-62.68	408.30	8.23	-54.45
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CC=C2F)CC1	REAL300012335964	0	53	0.0	-63.77	418.24	8.21	-55.56
CC1=CC=CC(OCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012336239	0	57	0.0	-64.13	437.28	7.47	-56.66
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2=CC=C(Cl)C=C2)CC1	REAL300012336551	0	54	0.0	-62.03	432.60	7.32	-54.71
CC1=CC=C(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1F	REAL300012338812	0	56	0.0	-60.96	435.39	8.98	-51.98
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2=CC=CS2)CC1	REAL300012339713	0	53	0.0	-63.67	424.41	8.05	-55.62
CC1=CN=C(C(C)CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300012340282	0	55	0.0	-63.77	438.21	6.80	-56.97
CC(C)CSCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012340726	0	59	0.0	-58.94	454.06	8.43	-50.51
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(S(C)=O)C=C2)CC1	REAL300012341032	0	55	0.0	-77.64	443.39	6.01	-71.63
COC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300012342894	0	57	0.0	-60.81	445.70	7.10	-53.71
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC(C)(C)C3=CC=CC=C32)CC1	REAL300012343481	0	60	0.0	-64.70	450.05	9.65	-55.05
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC=CCC2)CC1	REAL300012343682	0	51	0.0	-62.87	385.41	7.02	-55.85
COCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CO1	REAL300012344149	0	54	0.0	-68.94	424.91	5.52	-63.42
COCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(C)O1	REAL300012344428	0	57	0.0	-65.66	446.68	6.37	-59.29
CCC1=CC=C(C(COC)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])O1	REAL300012345037	0	60	0.0	-66.61	468.17	7.14	-59.47
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCOC(C)(C)C2)CC1	REAL300012345281	0	57	0.0	-61.55	419.22	5.87	-55.68
CC1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012345515	0	56	0.0	-59.54	428.87	8.63	-50.91
CC1=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=NO1	REAL300012345720	0	48	0.0	-66.73	382.75	2.91	-63.82
CC1=CC=CC(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1C	REAL300012345961	0	59	0.0	-63.44	440.00	9.31	-54.13
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CC2)CC1	REAL300012346131	0	50	0.0	-62.27	384.38	6.72	-55.55
C#CCCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012346245	0	51	0.0	-59.59	396.33	7.01	-52.58
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2C=CCCC2)CC1	REAL300012346371	0	51	0.0	-60.55	378.90	6.59	-53.96
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCS2)CC1	REAL300012346532	0	51	0.0	-67.94	396.73	6.93	-61.01
CC1CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC(C)O1	REAL300012346740	0	57	0.0	-59.23	414.67	5.74	-53.49
CC1CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012346889	0	50	0.0	-62.22	377.88	6.42	-55.80
CN1C=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012347017	0	49	0.0	-69.24	388.81	5.71	-63.53
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCCC2CCCC2)CC1	REAL300012347223	0	62	0.0	-58.28	454.76	9.09	-49.19
CC1OCCC1NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012347415	0	51	0.0	-61.68	382.67	5.14	-56.54
COC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCOCC1	REAL300012347634	0	58	0.0	-63.38	427.48	4.36	-59.02
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CCCCCC2)CC1	REAL300012347890	0	62	0.0	-62.48	430.74	8.60	-53.88
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3=CC=CC=C3C2)CC1	REAL300012348187	0	60	0.0	-64.89	451.68	9.90	-54.99
CCC1CCCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012348430	0	59	0.0	-62.15	432.59	8.37	-53.78
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)CC2=CC=CC=C2)CC1	REAL300012348709	0	62	0.0	-63.23	461.23	10.02	-53.21
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NOC(C(C)(C)C)=N2)CC1	REAL300012349002	0	57	0.0	-65.60	444.62	4.77	-60.83
CC1=CC=C(C(C)CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012349755	0	59	0.0	-59.05	444.47	9.22	-49.83
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C2=CC=CC(F)=C2)CC1	REAL300012350062	0	59	0.0	-58.44	442.06	9.08	-49.36
CSCCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012350295	0	53	0.0	-59.08	413.79	6.95	-52.13
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(F)C=C1F	REAL300012350574	0	56	0.0	-59.47	442.51	9.69	-49.78
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCCC2)CC1	REAL300012350788	0	56	0.0	-61.79	413.27	7.83	-53.96
COC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1OC	REAL300012351049	0	58	0.0	-66.48	449.93	6.62	-59.86
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC=C2F)CC1	REAL300012351563	0	50	0.0	-62.85	396.85	7.44	-55.41
CC(C)C1=CC=C(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012352362	0	62	0.0	-62.87	468.94	10.19	-52.68
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC(F)=C2)CC1	REAL300012353244	0	50	0.0	-64.83	397.59	7.49	-57.34
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC(F)=CC(F)=C2)CC1	REAL300012353489	0	50	0.0	-61.53	404.01	7.56	-53.97
COC1=CC=CC(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012354036	0	57	0.0	-62.83	438.16	7.56	-55.27
CCC(CC)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012354238	0	55	0.0	-58.52	398.98	6.90	-51.62
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(Cl)C=C2F)CC1	REAL300012354480	0	50	0.0	-61.09	413.49	7.95	-53.14
CCCOC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012354791	0	60	0.0	-63.91	464.04	8.45	-55.46
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=C(F)C=CC=C2F)CC1	REAL300012356891	0	53	0.0	-66.27	423.32	8.23	-58.04
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2CCCCC2)CC1	REAL300012357594	0	62	0.0	-58.19	449.74	8.90	-49.29
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCOCC2)CC1	REAL300012357807	0	54	0.0	-58.48	399.16	5.18	-53.30
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCO1	REAL300012358279	0	54	0.0	-62.25	405.73	5.99	-56.26
CC(C)C(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012358546	0	62	0.0	-58.57	461.06	9.59	-48.98
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC3=CC=CC=C3C=C2)CC1	REAL300012359016	0	59	0.0	-61.03	453.58	10.21	-50.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2COCCO2)CC1	REAL300012359395	0	52	0.0	-63.59	397.32	3.61	-59.98
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2C3CC4CC(C3)CC2C4)CC1	REAL300012360609	0	64	0.0	-58.25	442.02	9.06	-49.19
CC1CCCC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012361714	0	59	0.0	-62.25	434.11	8.43	-53.82
CC1CCC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012361925	0	59	0.0	-58.10	421.87	7.99	-50.11
CCCC1CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012362154	0	62	0.0	-64.33	449.65	9.55	-54.78
COCC(C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012362669	0	53	0.0	-58.93	399.37	4.79	-54.14
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=C(F)C(F)=C2)CC1	REAL300012363352	0	53	0.0	-59.21	420.18	8.07	-51.14
CCC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012363984	0	59	0.0	-59.02	443.16	9.21	-49.81
COC1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1F	REAL300012366199	0	57	0.0	-61.08	443.20	7.33	-53.75
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCCC(C)(C)C)CC1	REAL300012366443	0	61	0.0	-58.17	445.78	8.18	-49.99
COCC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1F	REAL300012366930	0	57	0.0	-61.98	449.96	7.36	-54.62
C[C@H]1CC[C@H](NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012367839	0	56	0.0	-61.91	414.36	7.73	-54.18
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCOC2)CC1	REAL300012368276	0	51	0.0	-62.27	384.47	4.73	-57.54
COC1=CC=CC(Cl)=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012368974	0	54	0.0	-65.27	433.39	7.18	-58.09
CC(C)=CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012369143	0	50	0.0	-58.60	378.26	6.17	-52.43
COC1=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1C	REAL300012369366	0	60	0.0	-60.55	457.05	7.99	-52.56
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=C3NC=CC3=C2)CC1	REAL300012369678	0	57	0.0	-62.49	438.84	7.99	-54.50
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=C3C=CNC3=CC=C2)CC1	REAL300012369992	0	57	0.0	-62.80	438.57	7.98	-54.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2C(C)(C)C2(C)C)CC1	REAL300012370236	0	59	0.0	-58.27	428.60	8.01	-50.26
CC(C)CC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCC1	REAL300012370465	0	62	0.0	-62.94	444.70	9.11	-53.83
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(C(C)(C)O)C=C2)CC1	REAL300012370761	0	60	0.0	-63.33	460.21	6.11	-57.22
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC(F)(F)CC2)CC1	REAL300012371051	0	56	0.0	-58.28	419.18	7.72	-50.56
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CS1	REAL300012371560	0	50	0.0	-62.93	400.28	7.35	-55.58
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCOC2)CC1	REAL300012371755	0	54	0.0	-63.74	404.29	5.41	-58.33
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(C(F)F)C=C2)CC1	REAL300012372374	0	53	0.0	-64.01	423.36	8.29	-55.72
CSC1CCCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012372878	0	57	0.0	-62.77	435.03	8.15	-54.62
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCOC2C(C)(C)C)CC1	REAL300012373240	0	66	0.0	-63.91	463.18	7.70	-56.21
CC1=CC(C)=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012373526	0	59	0.0	-63.77	455.50	9.50	-54.27
CC(C)C1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012373741	0	56	0.0	-63.19	415.41	7.58	-55.61
CC(CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012373982	0	59	0.0	-59.11	443.25	9.08	-50.03
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@H]2C2=CC=C(F)C=C2)CC1	REAL300012375268	0	54	0.0	-63.73	425.20	8.89	-54.84
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@H]2C2=CC=CC(F)=C2)CC1	REAL300012375555	0	54	0.0	-62.96	425.20	8.90	-54.06
CCC1(CC)CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012375844	0	65	0.0	-62.25	456.28	8.96	-53.29
CSCC1=CC=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012376148	0	57	0.0	-63.89	457.30	9.30	-54.59
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3(CCCCC3)CC2)CC1	REAL300012377004	0	66	0.0	-62.24	460.93	9.41	-52.83
CC1=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300012377765	0	55	0.0	-69.57	430.99	8.72	-60.85
CCOC1=CC(C)=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012378074	0	60	0.0	-66.80	462.87	8.35	-58.45
COCCC(C)(C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012378759	0	59	0.0	-59.01	431.34	5.95	-53.06
CCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCCC1	REAL300012378983	0	59	0.0	-62.40	427.45	8.40	-54.00
CC1CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCO1	REAL300012379229	0	60	0.0	-59.46	440.58	6.49	-52.97
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2CCCCO2)CC1	REAL300012379496	0	60	0.0	-64.47	448.78	7.09	-57.38
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCOC3(CCOC3)C2)CC1	REAL300012379788	0	59	0.0	-58.73	430.19	4.40	-54.33
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCSC2)CC1	REAL300012380024	0	51	0.0	-65.33	396.37	6.80	-58.53
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300012380614	0	55	0.0	-74.80	432.20	8.54	-66.26
CC(C)=CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012380977	0	53	0.0	-58.60	399.02	6.89	-51.71
CC1=CC(F)=CC=C1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012381196	0	56	0.0	-62.55	434.43	8.72	-53.83
CSC1=CC=C([C@@H](C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012382371	0	57	0.0	-63.47	448.87	9.28	-54.19
CSC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCC1	REAL300012384161	0	54	0.0	-63.29	418.90	7.41	-55.88
CC1=CSC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012384710	0	50	0.0	-61.80	400.06	7.03	-54.77
CC1=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C2=CC=CC=C2O1	REAL300012385284	0	56	0.0	-64.26	439.46	8.53	-55.73
COCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCC1	REAL300012385644	0	57	0.0	-60.02	425.00	5.90	-54.12
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C3CC3)CCC2)CC1	REAL300012385858	0	57	0.0	-62.44	419.54	8.68	-53.76
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C2CCCC2)CC1	REAL300012386086	0	62	0.0	-58.18	437.87	8.66	-49.52
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C3CC3)CC2)CC1	REAL300012386288	0	54	0.0	-58.42	399.48	7.94	-50.48
CCOC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012386846	0	60	0.0	-59.05	460.71	8.10	-50.95
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@H]2C2=CC=CC(Cl)=C2)CC1	REAL300012387156	0	54	0.0	-62.39	435.52	9.34	-53.05
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@H]2C2=CC=C(Cl)C=C2)CC1	REAL300012387464	0	54	0.0	-63.26	435.53	9.34	-53.92
CC1CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCO1	REAL300012387710	0	57	0.0	-58.99	420.36	5.94	-53.05
CC1=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])SC=C1	REAL300012388248	0	53	0.0	-63.33	421.46	7.84	-55.49
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CCCCCC2)CC1	REAL300012388761	0	60	0.0	-58.42	438.86	8.71	-49.71
CCOC(C)(C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012389963	0	56	0.0	-62.00	412.70	5.46	-56.54
CCOC1CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012390200	0	60	0.0	-59.31	450.96	6.96	-52.35
CC(CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])CC(C)(C)C	REAL300012390990	0	64	0.0	-58.29	456.21	8.46	-49.83
CC(C)C(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C(C)C	REAL300012391228	0	61	0.0	-58.46	427.66	8.52	-49.94
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOCC(F)F)CC1	REAL300012391742	0	50	0.0	-68.39	394.52	4.53	-63.86
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=C3OCCC3=C2)CC1	REAL300012392020	0	58	0.0	-61.02	443.36	7.80	-53.22
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CC3=CC=CC=C3C2)CC1	REAL300012392331	0	60	0.0	-63.99	456.18	9.96	-54.03
C=C(C)C1OCCC1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012393049	0	58	0.0	-62.64	440.07	6.58	-56.06
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2C[C@H](C3=CC=CC(F)=C3)C2)CC1	REAL300012393345	0	57	0.0	-62.70	441.31	9.44	-53.26
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC(C3=CC=CC=C3)C2)CC1	REAL300012393655	0	60	0.0	-63.89	456.40	9.96	-53.93
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NN=C3CCCCCN23)CC1	REAL300012394128	0	59	0.0	-73.19	442.71	7.70	-65.49
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3(CC2)OCCO3)CC1	REAL300012394430	0	59	0.0	-60.77	433.80	5.74	-55.03
CC1=NNC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012394646	0	50	0.0	-64.14	392.35	4.45	-59.69
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NNC=C2)CC1	REAL300012394795	0	47	0.0	-64.54	371.09	3.81	-60.73
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2CC2)CC1	REAL300012395163	0	53	0.0	-58.26	400.67	7.27	-50.99
CC(C)C[C@H](NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395468	1	54	0.0	-69.86	400.76	6.41	-63.45
CC(C)C[C@H](NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395468	1	54	0.0	-68.16	396.67	6.11	-62.05
C=CCOCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395469	1	53	0.0	-70.21	408.41	4.83	-65.38
C=CCOCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395469	1	53	0.0	-71.91	404.83	4.54	-67.37
C=CC(C)C(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395470	1	52	0.0	-71.07	386.79	5.60	-65.47
C=CC(C)C(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395470	1	52	0.0	-67.74	389.76	5.89	-61.85
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395471	1	56	0.0	-70.79	405.05	4.52	-66.27
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395471	1	56	0.0	-68.99	399.62	4.68	-64.31
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395472	1	52	0.0	-67.14	410.52	7.27	-59.87
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395472	1	52	0.0	-65.57	407.08	6.94	-58.63
COC1CCN(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(C(=O)[O-])C1	REAL300012395473	1	56	0.0	-80.85	401.39	7.09	-73.76
COC1CCN(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(C(=O)[O-])C1	REAL300012395473	1	56	0.0	-78.88	393.88	6.75	-72.13
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395474	1	56	0.0	-66.42	412.23	5.14	-61.28
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395474	1	56	0.0	-68.33	408.16	4.83	-63.50
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395475	1	55	0.0	-78.41	390.47	8.17	-70.24
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395475	1	55	0.0	-79.36	378.34	8.25	-71.11
CC1=CC(C(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])=CC=C1F	REAL300012395476	1	55	0.0	-66.77	424.53	7.85	-58.92
CC1=CC(C(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])=CC=C1F	REAL300012395476	1	55	0.0	-67.43	420.85	7.59	-59.84
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395477	1	57	0.0	-69.20	434.14	7.05	-62.15
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395477	1	57	0.0	-68.50	429.71	6.68	-61.82
CC1=CC(C(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])=CC(C)=C1	REAL300012395478	1	58	0.0	-70.62	441.24	8.45	-62.17
CC1=CC(C(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])=CC(C)=C1	REAL300012395478	1	58	0.0	-69.46	436.59	8.16	-61.30
CC1=CC=C(C(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C=C1C	REAL300012395479	1	58	0.0	-70.58	436.86	8.33	-62.25
CC1=CC=C(C(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C=C1C	REAL300012395479	1	58	0.0	-71.39	432.80	8.03	-63.36
CC1=CC=CC(C(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])=C1C	REAL300012395480	1	58	0.0	-68.63	431.95	8.20	-60.43
CC1=CC=CC(C(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])=C1C	REAL300012395480	1	58	0.0	-68.74	417.44	7.72	-61.02
COC1=CC=C(C(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C=C1F	REAL300012395481	1	56	0.0	-71.14	434.13	6.49	-64.65
COC1=CC=C(C(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C=C1F	REAL300012395481	1	56	0.0	-68.30	429.87	6.28	-62.02
CCCN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395482	1	51	0.0	-55.00	381.53	7.66	-47.34
CCCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395482	1	51	0.0	-53.50	377.66	7.31	-46.19
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395483	1	55	0.0	-51.50	395.06	8.13	-43.37
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395483	1	55	0.0	-56.63	390.05	7.62	-49.01
CCCN(C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(COC)C(=O)[O-]	REAL300012395484	1	58	0.0	-64.91	419.83	7.22	-57.69
CCCN(C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(COC)C(=O)[O-]	REAL300012395484	1	58	0.0	-71.58	420.86	8.31	-63.27
CCCN(C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(CC)C(=O)[O-]	REAL300012395485	1	57	0.0	-45.93	410.83	9.29	-36.64
CCCN(C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(CC)C(=O)[O-]	REAL300012395485	1	57	0.0	-45.13	390.02	8.74	-36.39
CC(C)C(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395486	1	51	0.0	-67.06	374.40	5.38	-61.68
CC(C)C(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395486	1	51	0.0	-70.07	370.33	5.07	-65.00
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395487	1	52	0.0	-78.09	370.29	7.66	-70.43
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395487	1	52	0.0	-79.14	364.03	7.95	-71.19
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395488	1	52	0.0	-64.13	414.95	7.73	-56.40
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395488	1	52	0.0	-67.04	410.86	7.42	-59.62
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395489	1	50	0.0	-77.11	369.94	7.63	-69.48
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395489	1	50	0.0	-78.02	364.23	7.89	-70.13
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395490	1	55	0.0	-70.47	390.11	6.94	-63.53
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395490	1	55	0.0	-71.37	383.68	7.00	-64.37
CC(CNC(=O)N1CCCC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395491	1	49	0.0	-73.76	360.17	6.34	-67.42
CC(CNC(=O)N1CCCC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395491	1	49	0.0	-76.21	354.70	6.23	-69.98
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395492	1	52	0.0	-73.72	377.31	6.19	-67.53
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395492	1	52	0.0	-73.50	368.49	5.87	-67.63
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395493	1	58	0.0	-74.98	395.48	7.58	-67.40
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395493	1	58	0.0	-74.73	389.40	7.66	-67.07
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395494	1	55	0.0	-68.52	420.72	8.06	-60.46
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395494	1	55	0.0	-70.67	410.11	7.70	-62.97
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395495	1	55	0.0	-46.95	413.18	9.57	-37.38
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395495	1	55	0.0	-54.24	409.11	9.27	-44.97
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395496	1	52	0.0	-67.58	396.50	6.89	-60.69
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395496	1	52	0.0	-70.65	394.37	6.82	-63.83
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395497	1	52	0.0	-67.74	398.46	7.12	-60.62
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395497	1	52	0.0	-69.86	388.41	6.70	-63.16
CCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395498	1	48	0.0	-69.10	361.45	5.06	-64.04
CCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395498	1	48	0.0	-69.70	352.53	4.67	-65.03
CC(C)C(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395499	1	51	0.0	-67.06	374.40	5.38	-61.68
CC(C)C(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395499	1	51	0.0	-70.07	370.33	5.07	-65.00
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395500	1	55	0.0	-68.52	420.72	8.06	-60.46
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395500	1	55	0.0	-70.67	410.11	7.70	-62.97
CCC(C)C(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395501	1	54	0.0	-67.01	390.50	5.76	-61.25
CCC(C)C(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395501	1	54	0.0	-69.39	393.20	5.96	-63.43
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395502	1	52	0.0	-78.09	370.29	7.66	-70.43
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395502	1	52	0.0	-79.14	364.03	7.95	-71.19
CCCC(C)(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395503	1	54	0.0	-69.18	387.92	6.18	-63.00
CCCC(C)(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395503	1	54	0.0	-67.22	383.85	5.88	-61.34
CC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395504	1	51	0.0	-69.52	369.84	7.59	-61.93
CC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395504	1	51	0.0	-54.12	360.44	6.71	-47.41
CC(CNC(=O)N(CC(=O)[O-])C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395505	1	49	0.0	-51.86	363.61	7.32	-44.54
CC(CNC(=O)N(CC(=O)[O-])C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395505	1	49	0.0	-57.17	359.20	7.03	-50.14
C=CCN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395506	1	49	0.0	-54.77	372.84	7.47	-47.30
C=CCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395506	1	49	0.0	-54.86	365.74	6.95	-47.91
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395507	1	54	0.0	-53.24	396.52	8.10	-45.14
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395507	1	54	0.0	-52.84	392.07	7.62	-45.22
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395508	1	56	0.0	-77.47	410.11	9.53	-67.94
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395508	1	56	0.0	-80.37	402.61	10.13	-70.24
CC(CNC(=O)NC(C)(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395509	1	48	0.0	-57.75	351.31	4.11	-53.64
CC(CNC(=O)NC(C)(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395509	1	48	0.0	-58.70	342.98	4.01	-54.69
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395510	1	52	0.0	-70.17	375.87	6.18	-63.99
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395510	1	52	0.0	-68.73	366.19	5.79	-62.94
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395511	1	49	0.0	-67.62	389.84	6.28	-61.34
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395511	1	49	0.0	-68.84	386.01	5.89	-62.95
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395512	1	55	0.0	-70.47	390.11	6.94	-63.53
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395512	1	55	0.0	-71.37	383.68	7.00	-64.37
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395513	1	55	0.0	-49.85	434.22	10.07	-39.78
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395513	1	55	0.0	-53.39	431.82	10.08	-43.31
CC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395514	1	51	0.0	-69.52	369.84	7.59	-61.93
CC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395514	1	51	0.0	-54.12	360.44	6.71	-47.41
CCCN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395515	1	51	0.0	-55.00	381.53	7.66	-47.34
CCCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395515	1	51	0.0	-53.50	377.66	7.31	-46.19
CCN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395516	1	48	0.0	-66.36	360.00	6.91	-59.45
CCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395516	1	48	0.0	-70.26	350.81	6.41	-63.85
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395517	1	54	0.0	-70.54	391.80	5.69	-64.85
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395517	1	54	0.0	-68.21	383.77	5.72	-62.49
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395518	1	52	0.0	-73.72	377.31	6.19	-67.53
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395518	1	52	0.0	-73.50	368.49	5.87	-67.63
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395519	1	55	0.0	-50.14	423.90	9.62	-40.52
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395519	1	55	0.0	-53.64	421.50	9.63	-44.01
CCC(C)(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395520	1	51	0.0	-68.89	366.42	5.43	-63.46
CCC(C)(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395520	1	51	0.0	-66.95	362.37	5.11	-61.84
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395521	1	56	0.0	-72.76	416.22	8.06	-64.70
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395521	1	56	0.0	-71.56	409.82	8.16	-63.40
CC(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395522	1	52	0.0	-69.86	409.02	7.33	-62.53
CC(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395522	1	52	0.0	-70.04	405.21	6.98	-63.06
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395523	1	55	0.0	-69.12	406.23	7.92	-61.20
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395523	1	55	0.0	-69.34	396.73	7.47	-61.87
CCN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395524	1	48	0.0	-66.36	360.00	6.91	-59.45
CCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395524	1	48	0.0	-70.26	350.81	6.41	-63.85
CCCCCCC(C)(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395525	1	63	0.0	-69.38	452.41	8.52	-60.86
CCCCCCC(C)(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395525	1	63	0.0	-69.00	448.36	8.19	-60.81
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395526	1	58	0.0	-67.30	429.29	10.00	-57.30
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395526	1	58	0.0	-67.57	419.52	9.61	-57.96
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395527	1	52	0.0	-64.13	414.95	7.73	-56.40
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395527	1	52	0.0	-67.04	410.86	7.42	-59.62
CC(CNC(=O)N1CCOCC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395528	1	50	0.0	-76.36	361.52	5.22	-71.14
CC(CNC(=O)N1CCOCC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395528	1	50	0.0	-74.28	359.29	5.22	-69.06
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395529	1	58	0.0	-73.86	398.82	8.30	-65.56
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395529	1	58	0.0	-73.48	392.70	8.45	-65.03
CC(CNC(=O)NC(C(=O)[O-])C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395530	1	49	0.0	-67.17	364.79	5.21	-61.96
CC(CNC(=O)NC(C(=O)[O-])C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395530	1	49	0.0	-69.87	365.62	5.25	-64.62
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395531	1	58	0.0	-53.78	441.74	10.67	-43.11
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395531	1	58	0.0	-55.83	432.35	10.12	-45.71
CC(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395532	1	55	0.0	-70.28	408.07	9.36	-60.92
CC(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395532	1	55	0.0	-66.84	396.27	8.43	-58.41
COCCN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395533	1	52	0.0	-55.32	391.37	6.07	-49.25
COCCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395533	1	52	0.0	-54.30	387.54	5.74	-48.56
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395534	1	56	0.0	-71.30	413.16	8.23	-63.07
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395534	1	56	0.0	-73.89	408.92	7.91	-65.98
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395535	1	49	0.0	-76.65	359.84	6.29	-70.36
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395535	1	49	0.0	-75.87	358.04	6.39	-69.48
CC(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395536	1	52	0.0	-76.91	371.85	8.01	-68.90
CC(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395536	1	52	0.0	-77.22	367.69	7.66	-69.56
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395537	1	48	0.0	-65.58	350.84	5.66	-59.92
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395537	1	48	0.0	-66.78	347.58	5.72	-61.06
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395538	1	49	0.0	-76.16	359.33	6.64	-69.52
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395538	1	49	0.0	-74.22	352.88	6.70	-67.52
CC(CNC(=O)NC1(C(=O)[O-])CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395539	1	49	0.0	-74.50	361.75	5.45	-69.05
CC(CNC(=O)NC1(C(=O)[O-])CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395539	1	49	0.0	-72.19	359.28	5.45	-66.74
C=CCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395540	1	49	0.0	-69.05	375.60	5.49	-63.56
C=CCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395540	1	49	0.0	-69.52	371.49	5.20	-64.32
CC(CNC(=O)N1CCCC1(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395541	1	52	0.0	-76.31	376.43	7.18	-69.13
CC(CNC(=O)N1CCCC1(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395541	1	52	0.0	-73.50	374.11	7.21	-66.29
CC(CNC(=O)N1CCCCCC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395542	1	55	0.0	-77.43	385.11	8.53	-68.90
CC(CNC(=O)N1CCCCCC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395542	1	55	0.0	-75.51	381.52	8.66	-66.85
CC(CNC(=O)NC(C(=O)[O-])C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395543	1	49	0.0	-67.17	364.79	5.21	-61.96
CC(CNC(=O)NC(C(=O)[O-])C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395543	1	49	0.0	-69.87	365.62	5.25	-64.62
CC(CNC(=O)N(C)C(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395544	1	48	0.0	-66.52	352.26	6.06	-60.46
CC(CNC(=O)N(C)C(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395544	1	48	0.0	-65.44	347.72	5.78	-59.66
CCCCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395545	1	54	0.0	-66.69	405.28	6.59	-60.10
CCCCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395545	1	54	0.0	-68.83	394.70	6.23	-62.60
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395546	1	58	0.0	-53.78	441.74	10.67	-43.11
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395546	1	58	0.0	-55.83	432.35	10.12	-45.71
CC(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395547	1	52	0.0	-73.36	378.17	7.50	-65.86
CC(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395547	1	52	0.0	-75.88	370.11	7.25	-68.63
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395548	1	55	0.0	-54.78	396.30	8.43	-46.35
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395548	1	55	0.0	-54.76	392.53	8.13	-46.63
COCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395549	1	49	0.0	-70.90	374.14	3.29	-67.61
COCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395549	1	49	0.0	-70.78	369.94	3.03	-67.75
CCCCCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395550	1	57	0.0	-65.98	426.54	7.44	-58.54
CCCCCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395550	1	57	0.0	-69.55	417.03	7.00	-62.55
CCC1CCC(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)(C(=O)[O-])CC1	REAL300012395551	1	61	0.0	-74.11	429.18	8.19	-65.92
CCC1CCC(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)(C(=O)[O-])CC1	REAL300012395551	1	61	0.0	-68.70	416.06	7.49	-61.21
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395552	1	56	0.0	-55.22	403.91	6.73	-48.49
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395552	1	56	0.0	-52.73	395.29	6.39	-46.34
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395553	1	55	0.0	-74.07	385.99	7.44	-66.63
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395553	1	55	0.0	-74.54	379.13	7.50	-67.04
CC(CNC(=O)N(C(C)C(=O)[O-])C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395554	1	52	0.0	-57.94	378.36	7.61	-50.33
CC(CNC(=O)N(C(C)C(=O)[O-])C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395554	1	52	0.0	-59.20	374.05	7.12	-52.08
CCC(C(=O)[O-])N(C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1	REAL300012395555	1	55	0.0	-53.14	399.83	8.77	-44.37
CCC(C(=O)[O-])N(C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1	REAL300012395555	1	55	0.0	-59.90	394.49	8.17	-51.73
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395556	1	52	0.0	-72.08	410.89	7.61	-64.47
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395556	1	52	0.0	-71.45	405.75	7.30	-64.15
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395557	1	52	0.0	-75.41	402.75	7.32	-68.09
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395557	1	52	0.0	-75.22	398.62	6.97	-68.25
CC(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395558	1	56	0.0	-54.81	413.08	9.59	-45.22
CC(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395558	1	56	0.0	-54.50	405.25	9.10	-45.40
CC(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395559	1	55	0.0	-71.57	435.44	8.32	-63.25
CC(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395559	1	55	0.0	-73.03	431.35	8.01	-65.02
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395560	1	61	0.0	-67.72	440.93	7.92	-59.80
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395560	1	61	0.0	-70.51	432.86	7.87	-62.64
CC(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395561	1	58	0.0	-47.77	427.31	10.53	-37.24
CC(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395561	1	58	0.0	-51.67	417.36	10.12	-41.55
CC1=CC=C(C(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C=C1	REAL300012395562	1	55	0.0	-69.29	419.22	7.83	-61.46
CC1=CC=C(C(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C=C1	REAL300012395562	1	55	0.0	-69.53	409.58	7.46	-62.07
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395563	1	48	0.0	-62.98	377.38	5.77	-57.21
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395563	1	48	0.0	-62.21	373.32	5.47	-56.74
CC(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395564	1	58	0.0	-69.39	444.42	9.40	-59.99
CC(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395564	1	58	0.0	-71.66	440.12	9.16	-62.50
CC(CNC(=O)NC1(C(=O)[O-])CCSCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395565	1	53	0.0	-66.54	389.45	6.95	-59.59
CC(CNC(=O)NC1(C(=O)[O-])CCSCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395565	1	53	0.0	-67.80	379.73	6.55	-61.25
COCC(C)(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395566	1	52	0.0	-73.55	384.66	4.71	-68.84
COCC(C)(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395566	1	52	0.0	-71.52	380.62	4.40	-67.12
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395567	1	55	0.0	-67.62	402.13	6.14	-61.48
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395567	1	55	0.0	-67.10	401.00	6.18	-60.92
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395568	1	54	0.0	-53.24	396.52	8.10	-45.14
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395568	1	54	0.0	-52.84	392.07	7.62	-45.22
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395569	1	61	0.0	-43.60	441.74	10.80	-32.80
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395569	1	61	0.0	-52.80	434.45	10.79	-42.01
CC(CNC(=O)N(CC(=O)[O-])C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395570	1	49	0.0	-51.86	363.61	7.32	-44.54
CC(CNC(=O)N(CC(=O)[O-])C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395570	1	49	0.0	-57.17	359.20	7.03	-50.14
CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395571	1	51	0.0	-50.96	396.78	7.78	-43.18
CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395571	1	51	0.0	-53.93	395.79	7.69	-46.24
CC(CNC(=O)NC1(C(=O)[O-])CCOC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395572	1	50	0.0	-68.99	366.04	3.22	-65.77
CC(CNC(=O)NC1(C(=O)[O-])CCOC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395572	1	50	0.0	-68.71	357.89	3.13	-65.58
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395573	1	58	0.0	-69.29	418.99	7.15	-62.14
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395573	1	58	0.0	-68.43	414.96	7.23	-61.20
CC(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395574	1	59	0.0	-68.55	432.21	7.98	-60.57
CC(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395574	1	59	0.0	-68.24	427.76	7.52	-60.72
CC(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395575	1	59	0.0	-77.45	434.71	10.88	-66.57
CC(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395575	1	59	0.0	-77.46	428.26	10.94	-66.52
CC(CNC(=O)NC1(C(=O)[O-])CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395576	1	53	0.0	-69.59	383.18	4.76	-64.83
CC(CNC(=O)NC1(C(=O)[O-])CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395576	1	53	0.0	-70.92	373.46	4.40	-66.52
C=CCCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395577	1	52	0.0	-65.96	396.35	6.44	-59.52
C=CCCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395577	1	52	0.0	-69.59	392.53	6.08	-63.51
CC(CNC(=O)NC(CF)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395578	1	45	0.0	-57.09	344.07	4.04	-53.05
CC(CNC(=O)NC(CF)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395578	1	45	0.0	-59.05	340.33	3.71	-55.34
CC(CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395579	1	58	0.0	-46.29	430.03	10.50	-35.79
CC(CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395579	1	58	0.0	-58.73	420.29	9.49	-49.24
CC(CNC(=O)N(C)C(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395580	1	48	0.0	-66.52	352.26	6.06	-60.46
CC(CNC(=O)N(C)C(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395580	1	48	0.0	-65.44	347.72	5.78	-59.66
CCC(CC)(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395581	1	54	0.0	-67.36	381.09	6.00	-61.36
CCC(CC)(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395581	1	54	0.0	-68.20	379.03	6.01	-62.19
COC1=CC=C(C(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C=C1	REAL300012395582	1	56	0.0	-67.32	427.71	6.50	-60.82
COC1=CC=C(C(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C=C1	REAL300012395582	1	56	0.0	-70.18	423.61	6.20	-63.98
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395583	1	54	0.0	-43.85	392.29	8.18	-35.67
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395583	1	54	0.0	-54.84	386.85	7.89	-46.95
CCC(COC)(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395584	1	55	0.0	-75.39	399.62	5.29	-70.10
CCC(COC)(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395584	1	55	0.0	-72.93	397.28	5.31	-67.62
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395585	1	58	0.0	-65.41	424.54	7.22	-58.19
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395585	1	58	0.0	-67.20	420.28	6.78	-60.42
CC(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395586	1	55	0.0	-72.38	408.30	3.25	-69.13
CC(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395586	1	55	0.0	-73.64	398.58	2.90	-70.74
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395587	1	52	0.0	-66.91	391.09	6.26	-60.65
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395587	1	52	0.0	-68.53	383.84	6.18	-62.35
COCCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395588	1	52	0.0	-66.97	395.95	4.11	-62.86
COCCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395588	1	52	0.0	-69.77	391.65	3.87	-65.90
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395589	1	57	0.0	-67.59	410.55	8.54	-59.05
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395589	1	57	0.0	-65.63	406.45	8.09	-57.54
CC(CNC(=O)NC(CC(F)F)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395590	1	48	0.0	-69.50	373.80	5.35	-64.15
CC(CNC(=O)NC(CC(F)F)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395590	1	48	0.0	-64.74	363.15	5.20	-59.54
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395591	1	58	0.0	-74.37	415.41	9.44	-64.93
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395591	1	58	0.0	-76.18	411.34	9.10	-67.08
CCCN(C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C(=O)[O-]	REAL300012395592	1	54	0.0	-45.37	392.31	8.24	-37.13
CCCN(C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C(=O)[O-]	REAL300012395592	1	54	0.0	-44.61	378.93	8.03	-36.58
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395593	1	58	0.0	-47.12	432.43	10.52	-36.60
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395593	1	58	0.0	-44.50	416.80	10.26	-34.24
CCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012395594	1	58	0.0	-68.70	423.21	8.80	-59.90
CCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012395594	1	58	0.0	-71.39	419.19	8.50	-62.89
COC1CCCC(C(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C1	REAL300012395595	1	62	0.0	-72.68	450.53	6.46	-66.22
COC1CCCC(C(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C1	REAL300012395595	1	62	0.0	-74.02	445.00	5.95	-68.07
CC(CNC(=O)NC(CCF)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395596	1	48	0.0	-65.89	368.87	5.19	-60.70
CC(CNC(=O)NC(CCF)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395596	1	48	0.0	-68.98	364.81	4.88	-64.10
COC1(CC(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])CCC1	REAL300012395597	1	59	0.0	-67.58	420.92	5.96	-61.62
COC1(CC(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])CCC1	REAL300012395597	1	59	0.0	-71.22	428.18	6.21	-65.01
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395598	1	56	0.0	-55.22	403.91	6.73	-48.49
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395598	1	56	0.0	-52.73	395.29	6.39	-46.34
CC(CNC(=O)N(CC(=O)[O-])C1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395599	1	58	0.0	-48.46	413.96	9.15	-39.31
CC(CNC(=O)N(CC(=O)[O-])C1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395599	1	58	0.0	-53.01	409.87	8.83	-44.18
CC(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395600	1	58	0.0	-70.67	403.93	7.33	-63.34
CC(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395600	1	58	0.0	-71.43	397.49	7.38	-64.05
COC1=CC=CC(C(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])=C1	REAL300012395601	1	56	0.0	-71.72	427.34	6.44	-65.28
COC1=CC=CC(C(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])=C1	REAL300012395601	1	56	0.0	-71.48	423.62	6.19	-65.29
CC(CNC(=O)NC(C)(CCF)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395602	1	51	0.0	-66.34	373.01	5.57	-60.77
CC(CNC(=O)NC(C)(CCF)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395602	1	51	0.0	-65.93	368.96	5.25	-60.68
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395603	1	53	0.0	-55.58	395.66	7.76	-47.82
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395603	1	53	0.0	-60.35	390.98	7.27	-53.08
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395604	1	49	0.0	-70.56	372.86	6.45	-64.11
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395604	1	49	0.0	-69.41	366.37	6.49	-62.92
COC1=CC=CC([C@H](NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])=C1	REAL300012395605	1	56	0.0	-72.73	427.96	6.41	-66.32
COC1=CC=CC([C@H](NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])=C1	REAL300012395605	1	56	0.0	-71.90	423.85	6.11	-65.79
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395606	1	48	0.0	-66.47	352.24	6.04	-60.43
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395606	1	48	0.0	-65.46	347.72	5.79	-59.67
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1	REAL300012395607	1	58	0.0	-73.60	428.16	8.02	-65.58
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1	REAL300012395607	1	58	0.0	-63.24	419.87	7.66	-55.58
COC1=CC=CC(CC(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])=C1	REAL300012395608	1	59	0.0	-71.33	449.97	7.43	-63.90
COC1=CC=CC(CC(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])=C1	REAL300012395608	1	59	0.0	-73.29	440.47	7.00	-66.29
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395609	1	61	0.0	-75.62	417.78	7.72	-67.90
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395609	1	61	0.0	-73.50	411.67	7.85	-65.65
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395610	1	50	0.0	-81.45	368.61	7.56	-73.89
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395610	1	50	0.0	-80.54	364.57	7.29	-73.25
COC1CN(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)(C(=O)[O-])C1	REAL300012395611	1	56	0.0	-76.95	409.48	6.13	-70.82
COC1CN(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)(C(=O)[O-])C1	REAL300012395611	1	56	0.0	-74.45	405.93	6.26	-68.19
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395612	1	59	0.0	-65.95	433.45	5.95	-60.00
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395612	1	59	0.0	-69.23	423.94	5.51	-63.72
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395613	1	54	0.0	-69.81	391.46	6.16	-63.65
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395613	1	54	0.0	-68.69	388.33	5.94	-62.75
C=C(Cl)CC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395614	1	49	0.0	-70.19	390.72	6.13	-64.06
C=C(Cl)CC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395614	1	49	0.0	-65.66	386.70	5.86	-59.80
C=C(C)CC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395615	1	52	0.0	-69.25	395.04	6.25	-63.00
C=C(C)CC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395615	1	52	0.0	-69.96	388.74	6.28	-63.68
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395616	1	53	0.0	-84.67	381.25	8.03	-76.64
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395616	1	53	0.0	-80.41	377.28	8.11	-72.30
CC(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395617	1	58	0.0	-69.77	430.26	8.33	-61.44
CC(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395617	1	58	0.0	-67.33	426.13	8.02	-59.31
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395618	1	49	0.0	-68.79	372.05	6.77	-62.02
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395618	1	49	0.0	-69.85	365.85	6.86	-62.99
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395619	1	49	0.0	-74.60	367.51	7.08	-67.52
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395619	1	49	0.0	-72.21	364.20	6.44	-65.77
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1	REAL300012395620	1	50	0.0	-74.64	373.31	6.67	-67.97
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1	REAL300012395620	1	50	0.0	-75.54	371.16	6.74	-68.80
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395621	1	59	0.0	-66.56	429.29	6.59	-59.97
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395621	1	59	0.0	-69.35	428.85	5.57	-63.78
CC(C)C[C@H](NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395622	1	54	0.0	-69.86	400.76	6.41	-63.45
CC(C)C[C@H](NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395622	1	54	0.0	-68.16	396.67	6.11	-62.05
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395623	1	56	0.0	-70.79	405.05	4.52	-66.27
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395623	1	56	0.0	-68.99	399.62	4.68	-64.31
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395624	1	52	0.0	-67.74	398.46	7.12	-60.62
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395624	1	52	0.0	-69.86	388.41	6.70	-63.16
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395625	1	52	0.0	-66.91	391.09	6.26	-60.65
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395625	1	52	0.0	-68.53	383.84	6.18	-62.35
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395626	1	51	0.0	-70.69	407.46	5.19	-65.50
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395626	1	51	0.0	-66.22	402.37	4.94	-61.28
CC(C)CCCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395627	1	60	0.0	-66.69	444.35	7.89	-58.80
CC(C)CCCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395627	1	60	0.0	-69.53	434.59	7.50	-62.03
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395628	1	56	0.0	-67.76	413.96	5.65	-62.11
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395628	1	56	0.0	-72.91	408.18	5.07	-67.84
CSCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395629	1	49	0.0	-65.52	385.08	5.50	-60.02
CSCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395629	1	49	0.0	-66.51	381.68	5.16	-61.35
COC[C@H](NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395630	1	49	0.0	-70.30	373.65	3.28	-67.02
COC[C@H](NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395630	1	49	0.0	-70.70	364.39	2.92	-67.78
CC[C@H](NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395631	1	48	0.0	-69.86	360.56	4.73	-65.13
CC[C@H](NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395631	1	48	0.0	-69.70	352.53	4.67	-65.03
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395632	1	55	0.0	-67.26	426.90	8.20	-59.06
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395632	1	55	0.0	-67.64	417.12	7.82	-59.82
CCC(C)CC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395633	1	57	0.0	-69.96	418.41	7.06	-62.90
CCC(C)CC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395633	1	57	0.0	-70.05	415.15	6.70	-63.35
C=CCCCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395634	1	55	0.0	-66.18	417.85	7.22	-58.96
C=CCCCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395634	1	55	0.0	-68.99	408.34	6.78	-62.21
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395635	1	55	0.0	-70.09	425.34	7.82	-62.27
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395635	1	55	0.0	-67.36	422.17	7.83	-59.53
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395636	1	58	0.0	-72.45	438.21	9.34	-63.11
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395636	1	58	0.0	-72.02	428.06	8.89	-63.13
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395637	1	50	0.0	-77.11	369.94	7.63	-69.48
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395637	1	50	0.0	-78.02	364.23	7.89	-70.13
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395638	1	55	0.0	-69.12	406.23	7.92	-61.20
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395638	1	55	0.0	-69.34	396.73	7.47	-61.87
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395639	1	49	0.0	-76.65	359.84	6.29	-70.36
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395639	1	49	0.0	-75.87	358.04	6.39	-69.48
CCCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395640	1	51	0.0	-69.82	383.78	5.81	-64.01
CCCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395640	1	51	0.0	-69.63	374.03	5.44	-64.19
CC(C)[C@@H](NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395641	1	51	0.0	-67.40	372.67	5.06	-62.34
CC(C)[C@@H](NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395641	1	51	0.0	-69.21	369.67	5.14	-64.07
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395642	1	53	0.0	-81.74	382.41	8.53	-73.21
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395642	1	53	0.0	-80.89	378.30	8.20	-72.69
CCN(C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C(=O)[O-]	REAL300012395643	1	54	0.0	-69.16	385.94	7.70	-61.46
CCN(C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C(=O)[O-]	REAL300012395643	1	54	0.0	-70.60	377.26	7.43	-63.17
CCCN(C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C(=O)[O-]	REAL300012395644	1	54	0.0	-45.37	392.31	8.24	-37.13
CCCN(C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C(=O)[O-]	REAL300012395644	1	54	0.0	-44.61	378.93	8.03	-36.58
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395645	1	48	0.0	-63.10	376.20	7.25	-55.85
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395645	1	48	0.0	-71.77	365.02	6.67	-65.10
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395646	1	48	0.0	-63.10	376.20	7.25	-55.85
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395646	1	48	0.0	-71.77	365.02	6.67	-65.10
CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395647	1	51	0.0	-69.58	367.57	6.95	-62.63
CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395647	1	51	0.0	-70.76	357.55	6.57	-64.19
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395648	1	49	0.0	-76.16	359.33	6.64	-69.52
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395648	1	49	0.0	-74.22	352.88	6.70	-67.52
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395649	1	61	0.0	-53.33	446.83	5.02	-48.31
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395649	1	61	0.0	-54.53	444.49	5.03	-49.50
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395650	1	50	0.0	-77.17	371.09	2.90	-74.27
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395650	1	50	0.0	-78.59	366.04	2.84	-75.75
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1	REAL300012395651	0	65	0.0	-61.57	468.28	4.71	-56.86
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395652	1	56	0.0	-72.27	416.48	9.33	-62.94
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395652	1	56	0.0	-74.04	411.99	9.48	-64.56
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395653	1	59	0.0	-59.40	424.94	10.11	-49.29
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395653	1	59	0.0	-61.41	420.58	9.75	-51.66
CCC[C@@H](NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395654	1	51	0.0	-67.64	383.79	5.80	-61.84
CCC[C@@H](NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395654	1	51	0.0	-68.19	374.03	5.45	-62.74
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395655	1	57	0.0	-67.00	417.79	8.28	-58.72
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395655	1	57	0.0	-68.66	409.92	7.98	-60.68
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395656	1	52	0.0	-67.58	396.50	6.89	-60.69
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395656	1	52	0.0	-70.65	394.37	6.82	-63.83
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395657	1	57	0.0	-71.82	437.74	7.08	-64.74
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395657	1	57	0.0	-72.06	434.50	6.76	-65.30
C=CCCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395658	1	52	0.0	-65.96	396.35	6.44	-59.52
C=CCCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395658	1	52	0.0	-69.59	392.53	6.08	-63.51
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395659	1	51	0.0	-62.66	406.64	5.07	-57.59
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395659	1	51	0.0	-72.82	403.17	4.77	-68.05
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395661	1	53	0.0	-70.60	387.36	6.00	-64.60
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395661	1	53	0.0	-69.44	379.76	5.89	-63.55
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395662	1	52	0.0	-72.34	378.13	7.50	-64.84
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395662	1	52	0.0	-73.88	370.01	7.26	-66.62
CC(C)[C@H](NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395663	1	51	0.0	-70.08	374.97	5.37	-64.71
CC(C)[C@H](NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395663	1	51	0.0	-66.77	372.41	5.29	-61.48
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395664	1	52	0.0	-70.21	398.43	7.11	-63.10
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395664	1	52	0.0	-69.51	394.39	6.82	-62.69
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395665	1	55	0.0	-68.96	412.23	6.51	-62.45
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395665	1	55	0.0	-72.02	403.83	6.16	-65.86
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395666	1	48	0.0	-66.47	352.24	6.04	-60.43
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395666	1	48	0.0	-65.46	347.72	5.79	-59.67
CCC[C@H](NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395667	1	51	0.0	-69.17	382.95	5.82	-63.35
CCC[C@H](NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395667	1	51	0.0	-68.89	373.20	5.45	-63.44
CCN(C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C(=O)[O-]	REAL300012395668	1	51	0.0	-68.61	370.62	7.03	-61.58
CCN(C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C(=O)[O-]	REAL300012395668	1	51	0.0	-66.06	368.46	6.71	-59.35
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395669	1	55	0.0	-54.78	396.30	8.43	-46.35
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395669	1	55	0.0	-54.76	392.53	8.13	-46.63
CC(CN(C)C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395670	1	51	0.0	-72.75	371.54	6.19	-66.56
CC(CN(C)C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395670	1	51	0.0	-75.98	364.82	6.43	-69.55
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395671	1	54	0.0	-70.54	391.80	5.69	-64.85
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395671	1	54	0.0	-68.21	383.77	5.72	-62.49
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395672	1	51	0.0	-65.10	370.70	6.84	-58.26
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395672	1	51	0.0	-65.59	368.59	6.75	-58.84
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395673	1	53	0.0	-79.33	392.27	2.62	-76.71
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395673	1	53	0.0	-72.65	387.46	2.77	-69.88
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395674	1	61	0.0	-70.77	444.77	6.41	-64.36
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395674	1	61	0.0	-71.09	435.42	5.97	-65.12
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395675	1	55	0.0	-73.56	395.77	6.45	-67.11
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395675	1	55	0.0	-73.69	390.27	6.49	-67.20
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395676	1	58	0.0	-69.87	407.79	7.54	-62.33
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395676	1	58	0.0	-73.19	402.19	7.09	-66.10
COCCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395677	1	52	0.0	-66.97	395.95	4.11	-62.86
COCCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395677	1	52	0.0	-69.77	391.65	3.87	-65.90
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395678	1	58	0.0	-67.30	429.29	10.00	-57.30
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395678	1	58	0.0	-67.57	419.52	9.61	-57.96
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395679	1	55	0.0	-75.23	397.89	7.13	-68.10
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395679	1	55	0.0	-74.34	395.74	7.20	-67.14
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395680	1	52	0.0	-71.10	386.88	5.70	-65.40
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395680	1	52	0.0	-70.13	381.32	5.81	-64.32
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395681	1	61	0.0	-68.76	446.66	6.30	-62.46
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395681	1	61	0.0	-70.42	437.97	6.05	-64.37
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395682	1	50	0.0	-78.88	370.01	3.13	-75.75
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395682	1	50	0.0	-80.16	364.82	3.43	-76.73
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395683	1	53	0.0	-65.51	394.03	4.26	-61.25
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395683	1	53	0.0	-67.00	393.03	3.94	-63.06
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395684	1	53	0.0	-80.94	381.42	7.79	-73.15
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395684	1	53	0.0	-78.81	374.98	7.79	-71.02
CC(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395685	1	56	0.0	-75.17	430.13	7.26	-67.91
CC(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395685	1	56	0.0	-76.97	426.52	6.88	-70.09
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395686	1	51	0.0	-77.16	374.23	5.39	-71.77
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395686	1	51	0.0	-75.99	371.86	5.49	-70.50
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395687	1	55	0.0	-79.90	388.56	9.04	-70.86
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395687	1	55	0.0	-78.52	379.69	8.56	-69.96
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395688	1	58	0.0	-68.89	432.98	8.06	-60.83
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395688	1	58	0.0	-69.49	433.37	8.17	-61.32
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395689	1	59	0.0	-66.29	430.11	8.92	-57.37
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395689	1	59	0.0	-69.39	419.18	8.47	-60.92
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395690	1	52	0.0	-66.88	380.23	5.69	-61.19
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395690	1	52	0.0	-68.08	376.29	5.62	-62.46
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395691	1	65	0.0	-73.60	453.34	7.56	-66.04
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395691	1	65	0.0	-72.05	449.66	7.48	-64.57
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395692	1	58	0.0	-69.29	418.99	7.15	-62.14
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395692	1	58	0.0	-68.43	414.96	7.23	-61.20
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395693	1	52	0.0	-66.88	380.23	5.69	-61.19
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395693	1	52	0.0	-68.08	376.29	5.62	-62.46
CC(CNC(=O)N1CCC(C)C1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395694	1	52	0.0	-77.62	380.51	6.86	-70.76
CC(CNC(=O)N1CCC(C)C1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395694	1	52	0.0	-75.73	371.06	6.92	-68.81
C=CCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395695	1	49	0.0	-69.05	375.60	5.49	-63.56
C=CCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395695	1	49	0.0	-69.52	371.49	5.20	-64.32
CC(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395696	1	59	0.0	-65.27	432.56	6.53	-58.74
CC(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395696	1	59	0.0	-71.52	425.61	5.82	-65.70
CC(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395697	1	59	0.0	-47.52	417.42	9.14	-38.38
CC(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395697	1	59	0.0	-47.61	402.56	8.39	-39.22
CC(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395698	1	59	0.0	-75.04	410.47	5.62	-69.42
CC(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395698	1	59	0.0	-72.05	404.04	5.71	-66.34
CC1=CC=CC2=C1CCN(C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2C(=O)[O-]	REAL300012395699	1	59	0.0	-75.30	430.47	10.01	-65.29
CC1=CC=CC2=C1CCN(C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2C(=O)[O-]	REAL300012395699	1	59	0.0	-55.08	421.51	9.75	-45.33
CC(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395700	1	53	0.0	-41.99	384.46	7.96	-34.03
CC(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395700	1	53	0.0	-50.65	379.73	7.68	-42.97
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395701	1	59	0.0	-66.29	430.11	8.92	-57.37
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395701	1	59	0.0	-69.39	419.18	8.47	-60.92
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395702	1	55	0.0	-70.66	427.13	8.13	-62.53
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395702	1	55	0.0	-66.52	416.53	7.77	-58.75
COC1CC(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)(C(=O)[O-])C1	REAL300012395703	1	53	0.0	-77.31	395.19	4.40	-72.91
COC1CC(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)(C(=O)[O-])C1	REAL300012395703	1	53	0.0	-68.56	386.92	4.36	-64.20
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395704	1	49	0.0	-66.31	374.10	5.75	-60.56
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395704	1	49	0.0	-72.33	368.09	5.52	-66.81
CO[C@H]1C[C@](NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)(C(=O)[O-])C1	REAL300012395705	1	53	0.0	-67.67	393.43	4.32	-63.35
CO[C@H]1C[C@](NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)(C(=O)[O-])C1	REAL300012395705	1	53	0.0	-69.42	391.31	4.72	-64.70
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395706	1	52	0.0	-64.61	403.19	6.12	-58.49
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395706	1	52	0.0	-63.06	392.40	6.30	-56.76
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395707	1	55	0.0	-79.40	389.47	8.33	-71.07
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395707	1	55	0.0	-76.23	386.84	8.24	-67.99
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395708	1	48	0.0	-62.98	377.38	5.77	-57.21
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395708	1	48	0.0	-62.21	373.32	5.47	-56.74
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395709	1	56	0.0	-67.47	414.36	4.78	-62.69
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395709	1	56	0.0	-67.98	412.85	4.88	-63.10
CC(CNC(=O)NC1(C(=O)[O-])COC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395710	1	47	0.0	-68.41	353.87	2.83	-65.58
CC(CNC(=O)NC1(C(=O)[O-])COC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395710	1	47	0.0	-67.90	350.49	2.54	-65.36
CC(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395711	1	52	0.0	-66.15	411.18	6.75	-59.40
CC(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395711	1	52	0.0	-66.58	402.92	6.75	-59.83
COCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012395712	1	59	0.0	-69.00	439.23	7.10	-61.90
COCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012395712	1	59	0.0	-69.12	429.48	6.72	-62.40
CC(C)C(C)(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395713	1	54	0.0	-66.34	381.34	6.05	-60.29
CC(C)C(C)(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395713	1	54	0.0	-69.67	379.09	5.81	-63.86
CC(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395714	1	50	0.0	-79.05	366.38	7.79	-71.26
CC(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395714	1	50	0.0	-79.00	363.44	7.84	-71.16
CC(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395715	1	53	0.0	-75.27	382.77	7.44	-67.83
CC(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395715	1	53	0.0	-76.90	378.98	7.35	-69.55
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395716	1	58	0.0	-47.12	432.43	10.52	-36.60
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395716	1	58	0.0	-44.50	416.80	10.26	-34.24
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395717	1	61	0.0	-67.72	440.93	7.92	-59.80
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395717	1	61	0.0	-70.51	432.86	7.87	-62.64
CC(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395718	1	58	0.0	-71.16	443.70	8.83	-62.33
CC(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395718	1	58	0.0	-70.90	433.94	8.46	-62.44
CC(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395719	1	58	0.0	-69.00	443.70	8.84	-60.16
CC(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395719	1	58	0.0	-68.96	433.70	8.53	-60.43
CC(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395720	1	59	0.0	-67.96	422.73	7.68	-60.28
CC(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395720	1	59	0.0	-70.70	420.30	7.63	-63.07
CC(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395721	1	61	0.0	-67.40	442.60	8.29	-59.11
CC(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395721	1	61	0.0	-70.42	438.55	7.96	-62.46
CC(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395722	1	61	0.0	-70.72	442.51	8.29	-62.43
CC(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395722	1	61	0.0	-68.49	438.31	8.01	-60.48
CC(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395723	1	59	0.0	-48.53	424.98	8.82	-39.71
CC(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395723	1	59	0.0	-46.77	413.93	8.50	-38.27
CC(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395724	1	59	0.0	-78.83	418.78	8.73	-70.10
CC(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395724	1	59	0.0	-77.40	409.84	8.37	-69.03
COC1=CC=C(CC(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C=C1	REAL300012395725	1	59	0.0	-70.07	449.32	7.37	-62.70
COC1=CC=C(CC(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C=C1	REAL300012395725	1	59	0.0	-71.78	445.91	7.12	-64.66
C=CCSCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395726	1	53	0.0	-66.22	420.03	6.92	-59.30
C=CCSCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395726	1	53	0.0	-66.45	415.95	6.62	-59.83
CC(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395727	1	56	0.0	-71.99	441.48	8.46	-63.53
CC(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395727	1	56	0.0	-70.40	437.24	8.22	-62.18
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395728	1	54	0.0	-68.01	387.15	7.92	-60.09
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395728	1	54	0.0	-68.62	383.23	7.65	-60.97
COC1(C(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])CCC1	REAL300012395729	1	56	0.0	-69.21	408.75	4.51	-64.70
COC1(C(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])CCC1	REAL300012395729	1	56	0.0	-70.97	402.55	4.56	-66.41
CC(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395730	1	58	0.0	-71.13	415.42	7.00	-64.13
CC(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395730	1	58	0.0	-71.37	408.61	7.03	-64.34
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395731	1	59	0.0	-73.13	427.78	8.83	-64.30
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395731	1	59	0.0	-71.34	421.61	8.90	-62.44
CC(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395732	1	52	0.0	-76.69	393.96	6.24	-70.45
CC(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395732	1	52	0.0	-67.44	389.10	6.19	-61.25
CC(C)C1=CC=C(C(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C=C1	REAL300012395734	1	61	0.0	-68.96	458.04	9.08	-59.88
CC(C)C1=CC=C(C(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C=C1	REAL300012395734	1	61	0.0	-70.24	454.63	8.75	-61.49
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395735	1	49	0.0	-74.60	367.51	7.08	-67.52
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395735	1	49	0.0	-72.21	364.20	6.44	-65.77
CC(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395736	1	51	0.0	-48.08	378.00	7.72	-40.36
CC(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395736	1	51	0.0	-49.49	374.07	7.38	-42.11
CC(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395737	1	55	0.0	-74.05	394.32	7.58	-66.47
CC(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395737	1	55	0.0	-77.72	389.11	7.33	-70.39
CCOC1=CC=C(C(NC(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C=C1	REAL300012395738	1	59	0.0	-69.79	449.81	7.34	-62.45
CCOC1=CC=C(C(NC(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[O-])C=C1	REAL300012395738	1	59	0.0	-70.40	445.75	7.04	-63.36
CC(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395739	1	59	0.0	-79.62	418.05	9.91	-69.71
CC(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395739	1	59	0.0	-76.96	413.57	9.47	-67.49
CC(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395740	1	59	0.0	-67.68	438.89	9.01	-58.67
CC(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395740	1	59	0.0	-70.42	434.06	9.28	-61.14
CC(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395741	1	59	0.0	-75.61	440.87	8.17	-67.44
CC(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395741	1	59	0.0	-73.61	436.82	7.86	-65.75
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395742	1	55	0.0	-74.90	434.67	8.06	-66.84
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395742	1	55	0.0	-72.75	430.62	7.76	-64.99
CC(C)CCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395743	1	57	0.0	-66.16	422.61	7.18	-58.98
CC(C)CCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395743	1	57	0.0	-69.86	418.78	6.81	-63.05
CC(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395744	1	56	0.0	-44.44	406.03	8.08	-36.36
CC(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395744	1	56	0.0	-47.06	401.86	8.09	-38.97
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395745	1	56	0.0	-67.47	414.36	4.78	-62.69
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395745	1	56	0.0	-67.98	412.85	4.88	-63.10
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1	REAL300012395746	1	53	0.0	-74.89	402.14	7.78	-67.11
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1	REAL300012395746	1	53	0.0	-72.19	400.26	7.84	-64.35
CC(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395747	1	56	0.0	-76.18	397.61	7.91	-68.27
CC(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395747	1	56	0.0	-72.39	390.28	7.21	-65.18
CC(CNC(=O)NC1(C(=O)[O-])CCC2CC21)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395748	1	53	0.0	-75.62	384.74	7.00	-68.62
CC(CNC(=O)NC1(C(=O)[O-])CCC2CC21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395748	1	53	0.0	-74.85	380.93	6.70	-68.15
CC(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395749	1	56	0.0	-72.70	410.63	7.29	-65.41
CC(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395749	1	56	0.0	-72.99	399.09	7.38	-65.61
CC(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395750	1	58	0.0	-71.54	431.24	10.02	-61.52
CC(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395750	1	58	0.0	-67.49	419.53	9.61	-57.88
CC(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395751	1	62	0.0	-45.02	437.81	9.52	-35.50
CC(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395751	1	62	0.0	-48.59	433.49	9.10	-39.49
CC(CNC(=O)NC(C(=O)[O-])C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395752	1	55	0.0	-70.06	396.57	6.28	-63.78
CC(CNC(=O)NC(C(=O)[O-])C1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395752	1	55	0.0	-68.28	388.70	6.26	-62.02
CO[C@H](C)[C@H](NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395753	1	52	0.0	-70.60	392.16	4.36	-66.24
CO[C@H](C)[C@H](NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395753	1	52	0.0	-68.74	387.74	3.98	-64.76
CC(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395754	1	52	0.0	-70.73	374.78	5.99	-64.74
CC(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395754	1	52	0.0	-71.41	372.76	6.01	-65.40
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395755	1	55	0.0	-46.95	413.18	9.57	-37.38
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395755	1	55	0.0	-54.24	409.11	9.27	-44.97
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395756	1	55	0.0	-44.58	398.91	7.40	-37.18
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395756	1	55	0.0	-49.84	397.09	7.11	-42.73
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395757	1	52	0.0	-77.32	381.46	7.70	-69.62
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395757	1	52	0.0	-76.58	374.30	7.79	-68.79
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395758	1	49	0.0	-77.58	370.54	6.63	-70.95
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395758	1	49	0.0	-77.88	368.63	6.79	-71.09
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395759	1	55	0.0	-70.66	427.13	8.13	-62.53
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395759	1	55	0.0	-66.52	416.53	7.77	-58.75
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395760	1	52	0.0	-66.94	411.28	7.04	-59.90
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395760	1	52	0.0	-70.26	407.55	6.66	-63.60
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395761	1	52	0.0	-69.53	390.22	7.62	-61.91
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395761	1	52	0.0	-68.82	386.09	7.33	-61.49
CC(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395762	1	56	0.0	-72.75	425.51	7.79	-64.96
CC(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395762	1	56	0.0	-73.01	418.53	7.78	-65.23
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395763	1	52	0.0	-66.94	411.28	7.04	-59.90
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395763	1	52	0.0	-70.26	407.55	6.66	-63.60
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395764	1	56	0.0	-79.49	396.72	7.75	-71.74
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395764	1	56	0.0	-78.18	395.80	7.75	-70.43
COCCCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395765	1	55	0.0	-65.50	417.21	4.95	-60.55
COCCCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395765	1	55	0.0	-68.73	407.70	4.51	-64.22
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395766	1	54	0.0	-66.76	394.76	7.86	-58.90
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395766	1	54	0.0	-65.13	385.00	7.48	-57.65
CCOCC(NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395767	1	52	0.0	-70.59	395.51	4.25	-66.34
CCOCC(NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300012395767	1	52	0.0	-71.49	391.93	3.97	-67.52
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395768	1	57	0.0	-66.84	412.18	7.49	-59.35
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395768	1	57	0.0	-69.76	402.39	7.11	-62.65
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395769	1	56	0.0	-72.13	411.32	5.28	-66.85
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395769	1	56	0.0	-72.54	405.32	5.34	-67.20
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395770	1	56	0.0	-72.76	416.22	8.06	-64.70
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395770	1	56	0.0	-71.56	409.82	8.16	-63.40
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395771	1	53	0.0	-77.85	381.92	6.16	-71.69
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395771	1	53	0.0	-75.59	374.82	5.97	-69.62
CC(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395772	1	55	0.0	-73.41	403.53	7.99	-65.42
CC(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395772	1	55	0.0	-70.78	394.60	7.65	-63.13
CC(CNC(=O)NC(CCC#N)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395773	1	49	0.0	-68.74	383.14	5.55	-63.19
CC(CNC(=O)NC(CCC#N)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395773	1	49	0.0	-71.56	372.56	5.19	-66.37
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395774	1	52	0.0	-55.28	400.70	8.04	-47.24
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395774	1	52	0.0	-53.63	391.13	7.63	-46.00
CC(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395775	1	63	0.0	-78.53	435.05	8.83	-69.70
CC(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395775	1	63	0.0	-50.91	434.56	7.43	-43.48
CC(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395776	1	54	0.0	-69.09	432.52	6.72	-62.37
CC(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395776	1	54	0.0	-69.51	428.23	6.48	-63.03
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395777	1	48	0.0	-65.58	350.84	5.66	-59.92
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300012395777	1	48	0.0	-66.78	347.58	5.72	-61.06
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1	REAL300012395778	1	56	0.0	-72.85	413.63	6.69	-66.16
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1	REAL300012395778	1	56	0.0	-75.35	407.55	6.60	-68.75
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012395779	0	49	0.0	-78.60	367.95	4.99	-73.61
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012395780	0	45	0.0	-70.65	372.70	7.39	-63.26
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012395781	0	45	0.0	-70.44	382.60	7.84	-62.60
COC1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(C(=O)[O-])C1	REAL300012395782	0	49	0.0	-85.64	366.75	7.33	-78.31
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012395783	0	49	0.0	-71.37	367.95	5.02	-66.35
CC1=CC(C(NC(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])=CC=C1F	REAL300012395784	0	48	0.0	-71.16	386.71	7.97	-63.19
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012395785	0	50	0.0	-77.11	396.13	7.04	-70.07
CC1=CC(C)=CC(C(NC(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])=C1	REAL300012395786	0	51	0.0	-78.03	403.02	8.53	-69.50
CC1=CC=C(C(NC(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])C=C1C	REAL300012395787	0	51	0.0	-75.94	398.65	8.40	-67.54
COC1=CC=C(C(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[O-])C=C1Cl	REAL300012395788	0	49	0.0	-71.83	405.52	7.13	-64.70
CC1=CC=CC(C(NC(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])=C1C	REAL300012395789	0	51	0.0	-69.07	394.09	8.58	-60.49
COC1=CC=C(C(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[O-])C=C1F	REAL300012395790	0	49	0.0	-72.60	395.96	6.57	-66.03
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012395791	0	51	0.0	-61.21	419.71	10.94	-50.27
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300012395792	0	48	0.0	-61.35	396.27	10.27	-51.08
CCCN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(COC)C(=O)[O-]	REAL300012395793	0	51	0.0	-76.52	385.86	8.68	-67.84
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012395794	0	45	0.0	-70.56	376.41	7.74	-62.82
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012395795	0	43	0.0	-81.76	334.22	8.23	-73.53
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012395796	0	51	0.0	-77.31	359.24	8.01	-69.30
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012395797	0	48	0.0	-77.27	382.39	8.20	-69.07
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012395798	0	48	0.0	-62.13	374.95	9.66	-52.47
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012395799	0	45	0.0	-76.85	360.00	7.27	-69.58
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012395800	0	45	0.0	-76.83	359.99	7.27	-69.56
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012395801	0	48	0.0	-77.27	382.39	8.20	-69.07
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012395802	0	49	0.0	-84.44	372.29	10.31	-74.13
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012395803	0	42	0.0	-75.19	351.90	6.27	-68.92
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012395804	0	48	0.0	-61.46	397.72	10.46	-51.00
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012395805	0	52	0.0	-76.07	411.62	8.20	-67.87
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)=C1	REAL300012395806	0	56	0.0	-66.71	440.13	8.55	-58.16
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300012395807	0	45	0.0	-72.83	380.94	7.85	-64.98
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012395808	0	48	0.0	-61.62	387.40	10.01	-51.61
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012395809	0	49	0.0	-79.46	379.71	8.46	-71.00
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012395810	0	45	0.0	-74.00	370.27	7.36	-66.64
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012395811	0	48	0.0	-77.65	368.04	7.98	-69.67
CCCCCCC(C)(NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)[O-]	REAL300012395812	0	56	0.0	-73.26	414.20	8.58	-64.68
CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012395813	0	51	0.0	-75.06	391.06	10.06	-65.00
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012395814	0	45	0.0	-70.56	376.41	7.74	-62.82
CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C1(C(=O)[O-])CCCCC1	REAL300012395815	0	51	0.0	-81.72	362.91	8.64	-73.08
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012395816	0	51	0.0	-60.41	398.21	10.49	-49.92
CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012395817	0	48	0.0	-74.65	367.18	8.78	-65.87
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012395818	0	49	0.0	-82.34	375.02	8.29	-74.05
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012395819	0	52	0.0	-84.01	416.15	8.15	-75.86
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012395820	0	51	0.0	-60.41	398.21	10.49	-49.92
CCC1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)(C(=O)[O-])CC1	REAL300012395821	0	54	0.0	-75.91	386.39	7.85	-68.06
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012395822	0	49	0.0	-59.54	366.78	6.84	-52.70
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300012395823	0	48	0.0	-69.18	399.93	8.96	-60.22
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012395824	0	45	0.0	-75.70	371.81	7.70	-68.00
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012395825	0	45	0.0	-79.32	364.51	7.33	-71.99
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012395826	0	49	0.0	-67.43	375.55	9.53	-57.90
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012395827	0	48	0.0	-77.64	397.78	8.46	-69.18
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012395828	0	54	0.0	-78.26	426.27	10.19	-68.07
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012395829	0	54	0.0	-73.59	404.52	8.31	-65.28
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300012395830	0	51	0.0	-59.63	388.91	10.61	-49.02
CC1=CC=C(C(NC(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])C=C1	REAL300012395831	0	48	0.0	-77.24	381.71	7.87	-69.37
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012395832	0	41	0.0	-69.82	340.00	5.81	-64.01
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012395833	0	51	0.0	-76.55	406.23	9.48	-67.07
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012395834	0	46	0.0	-72.76	351.25	6.99	-65.77
CCOCC(C(=O)[O-])N(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300012395835	0	48	0.0	-72.77	366.45	6.43	-66.34
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300012395836	0	54	0.0	-61.44	405.39	10.52	-50.92
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012395837	0	44	0.0	-59.77	356.49	7.84	-51.93
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012395838	0	51	0.0	-74.36	377.13	7.41	-66.95
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300012395839	0	48	0.0	-70.05	415.73	9.20	-60.85
CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(COC1CCC1)C(=O)[O-]	REAL300012395840	0	52	0.0	-73.87	393.78	7.93	-65.94
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012395841	0	52	0.0	-83.49	398.15	11.31	-72.18
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300012395842	0	51	0.0	-54.50	392.64	10.98	-43.52
COC1=CC=C(C(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[O-])C=C1	REAL300012395843	0	49	0.0	-76.28	389.17	6.50	-69.78
CCC(COC)(NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)[O-]	REAL300012395844	0	48	0.0	-81.33	363.16	5.67	-75.66
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300012395845	0	51	0.0	-73.75	387.35	7.28	-66.47
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012395846	0	48	0.0	-80.44	370.20	3.34	-77.10
CCCC1(C(=O)[O-])CCCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300012395847	0	51	0.0	-84.68	377.69	9.61	-75.07
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300012395848	0	51	0.0	-60.70	392.08	10.87	-49.83
CCC(NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012395849	0	51	0.0	-75.24	401.67	9.36	-65.88
CCC(NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012395850	0	51	0.0	-78.75	385.00	8.84	-69.91
COC1CCCC(C(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[O-])C1	REAL300012395851	0	55	0.0	-79.21	413.29	6.60	-72.61
COC1(CC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[O-])CCC1	REAL300012395852	0	52	0.0	-71.47	388.63	6.30	-65.17
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012395853	0	49	0.0	-59.54	366.78	6.84	-52.70
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012395854	0	51	0.0	-59.28	375.83	9.20	-50.08
C[C@H]1CC[C@@](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)(C(=O)[O-])CC1	REAL300012395855	0	51	0.0	-77.00	367.39	7.72	-69.28
COC1=CC=CC(C(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[O-])=C1	REAL300012395856	0	49	0.0	-79.31	389.71	6.48	-72.83
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300012395857	0	45	0.0	-75.37	376.18	7.71	-67.66
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012395858	0	46	0.0	-64.91	357.62	7.80	-57.11
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012395859	0	42	0.0	-73.06	336.74	6.89	-66.17
COC1=CC=CC([C@H](NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[O-])=C1	REAL300012395860	0	49	0.0	-77.29	389.81	6.47	-70.82
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1	REAL300012395861	0	51	0.0	-79.76	390.02	8.06	-71.70
COC1=CC=CC(CC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[O-])=C1	REAL300012395862	0	52	0.0	-80.89	411.96	7.43	-73.46
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012395863	0	54	0.0	-81.27	381.52	8.20	-73.07
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012395864	0	51	0.0	-72.11	402.36	8.85	-63.26
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012395865	0	50	0.0	-78.49	396.41	8.65	-69.84
COC1CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(C)(C(=O)[O-])C1	REAL300012395866	0	49	0.0	-82.46	373.18	6.57	-75.89
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012395867	0	52	0.0	-75.12	395.23	6.02	-69.10
C=C(Cl)CC(NC(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1)C(=O)[O-]	REAL300012395868	0	42	0.0	-69.49	352.53	6.25	-63.24
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012395869	0	51	0.0	-72.67	392.04	8.39	-64.28
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012395870	0	42	0.0	-72.66	335.79	7.21	-65.45
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012395871	0	52	0.0	-76.98	395.29	6.00	-70.98
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012395872	0	49	0.0	-78.60	367.95	4.99	-73.61
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012395873	0	45	0.0	-76.83	359.99	7.27	-69.56
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300012395874	0	48	0.0	-75.38	398.35	8.22	-67.16
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012395875	0	44	0.0	-73.60	369.24	5.28	-68.32
CC(C)CCCC(NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)[O-]	REAL300012395876	0	53	0.0	-72.18	405.30	7.99	-64.19
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012395877	0	51	0.0	-77.26	411.98	8.59	-68.67
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012395878	0	49	0.0	-75.77	377.96	6.07	-69.70
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012395879	0	48	0.0	-72.57	388.90	8.21	-64.36
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012395880	0	48	0.0	-74.97	388.85	8.21	-66.76
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012395881	0	51	0.0	-78.89	401.04	9.34	-69.55
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C1	REAL300012395882	0	49	0.0	-77.37	403.79	7.16	-70.21
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012395883	0	43	0.0	-81.76	334.22	8.23	-73.53
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012395884	0	48	0.0	-77.65	368.04	7.98	-69.67
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300012395885	0	48	0.0	-71.73	389.47	8.60	-63.13
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012395886	0	41	0.0	-68.69	336.61	7.45	-61.24
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012395887	0	41	0.0	-68.69	336.61	7.45	-61.24
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012395888	0	54	0.0	-64.48	409.17	5.26	-59.22
CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1	REAL300012395889	1	58	0.0	-60.36	435.67	5.29	-55.07
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1	REAL300012395890	0	49	0.0	-62.11	377.09	10.07	-52.04
C[C@H]1CC2=CC=CC=C2N(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1C(=O)[O-]	REAL300012395891	0	52	0.0	-63.08	387.23	10.28	-52.80
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012395892	0	50	0.0	-74.29	379.75	8.34	-65.95
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012395893	0	45	0.0	-76.85	360.00	7.27	-69.58
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012395894	0	48	0.0	-72.64	399.06	8.19	-64.45
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012395895	0	50	0.0	-74.08	399.54	7.15	-66.93
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012395896	0	44	0.0	-71.22	369.34	5.11	-66.11
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300012395897	0	48	0.0	-77.12	401.28	8.53	-68.59
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012395898	0	45	0.0	-71.89	388.56	6.95	-64.94
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)C1	REAL300012395899	0	42	0.0	-70.68	372.28	6.96	-63.72
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012395900	0	45	0.0	-88.52	352.52	4.34	-84.18
CN1CC(C(=O)[O-])N(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1=O	REAL300012395901	0	46	0.0	-75.57	350.92	6.28	-69.29
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012395902	0	45	0.0	-74.36	359.74	7.23	-67.13
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012395903	0	48	0.0	-74.17	374.04	6.58	-67.59
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)[O-]	REAL300012395904	0	54	0.0	-75.58	407.54	6.37	-69.21
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012395905	0	51	0.0	-80.30	369.59	7.61	-72.69
CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012395906	0	51	0.0	-75.06	391.06	10.06	-65.00
CC1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012395907	0	55	0.0	-77.98	408.97	9.53	-68.45
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)[O-]	REAL300012395908	0	54	0.0	-75.31	408.11	6.34	-68.97
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)C1	REAL300012395909	0	59	0.0	-81.18	461.35	9.55	-71.63
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012395910	0	53	0.0	-63.95	402.46	10.75	-53.20
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012395911	0	49	0.0	-84.93	392.16	7.26	-77.67
CC(C1=CC=CC=C1)C(NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)[O-]	REAL300012395912	0	51	0.0	-74.17	399.24	8.55	-65.62
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012395913	0	52	0.0	-72.44	391.88	8.99	-63.45
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012395914	0	58	0.0	-78.97	417.47	7.97	-71.00
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012395915	0	51	0.0	-74.36	377.13	7.41	-66.95
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012395916	0	52	0.0	-79.61	398.36	6.29	-73.32
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012395917	0	52	0.0	-55.53	369.91	8.87	-46.66
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012395918	0	52	0.0	-79.94	374.10	6.13	-73.81
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300012395919	0	51	0.0	-75.39	420.75	9.39	-66.00
CC1=CC=CC2=C1CCN(C(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1)C2C(=O)[O-]	REAL300012395920	0	52	0.0	-90.22	388.70	10.68	-79.54
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012395921	0	52	0.0	-72.44	391.88	8.99	-63.45
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012395922	0	48	0.0	-78.82	388.87	8.20	-70.62
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012395923	0	42	0.0	-75.65	333.93	5.85	-69.80
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012395924	0	45	0.0	-78.14	364.21	6.87	-71.27
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012395925	0	41	0.0	-69.82	340.00	5.81	-64.01
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012395926	0	49	0.0	-73.00	379.02	5.17	-67.83
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012395927	0	45	0.0	-75.29	374.66	7.13	-68.16
COCC(NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012395928	0	52	0.0	-74.84	401.21	7.20	-67.64
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300012395929	0	51	0.0	-60.70	392.08	10.87	-49.83
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300012395930	0	48	0.0	-74.35	403.71	8.83	-65.52
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300012395931	0	52	0.0	-77.40	421.75	7.70	-69.70
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012395932	0	54	0.0	-73.59	404.52	8.31	-65.28
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012395933	0	51	0.0	-73.62	405.23	8.98	-64.64
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012395934	0	51	0.0	-73.98	405.56	8.90	-65.08
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012395935	0	52	0.0	-77.71	385.69	7.90	-69.81
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012395936	0	54	0.0	-76.50	404.40	8.33	-68.17
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012395937	0	54	0.0	-76.51	404.53	8.33	-68.18
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012395938	0	52	0.0	-61.77	384.63	8.98	-52.79
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012395939	0	52	0.0	-84.40	380.33	8.81	-75.59
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300012395940	0	52	0.0	-78.71	424.64	7.73	-70.98
COC1=CC=C(CC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[O-])C=C1	REAL300012395941	0	52	0.0	-76.53	411.71	7.50	-69.03
C=CCSCC(NC(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1)C(=O)[O-]	REAL300012395942	0	46	0.0	-70.96	381.81	6.99	-63.97
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012395943	0	49	0.0	-75.60	403.24	8.60	-67.00
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300012395944	0	52	0.0	-78.35	413.82	8.34	-70.01
COC1=CC=C2NC=C(CC(NC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)C(=O)[O-])C2=C1	REAL300012395945	0	56	0.0	-76.38	440.25	7.51	-68.87
COC1(C(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[O-])CCC1	REAL300012395946	0	49	0.0	-72.96	370.72	4.81	-68.15
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012395947	0	51	0.0	-78.72	385.26	8.12	-70.60
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012395948	0	52	0.0	-80.45	391.55	9.26	-71.19
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012395949	0	45	0.0	-83.16	356.95	6.69	-76.47
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300012395951	0	57	0.0	-76.35	435.88	9.54	-66.81
CC(C)C1=CC=C(C(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[O-])C=C1	REAL300012395952	0	54	0.0	-73.90	419.88	9.16	-64.74
CCOC1=CC=C(C(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C(=O)[O-])C=C1	REAL300012395953	0	52	0.0	-73.89	411.02	7.44	-66.45
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012395954	0	52	0.0	-84.72	379.54	9.88	-74.84
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012395955	0	52	0.0	-77.79	402.87	9.01	-68.78
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012395956	0	52	0.0	-79.06	402.80	8.25	-70.81
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012395957	0	48	0.0	-70.65	390.84	8.40	-62.25
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012395958	0	49	0.0	-57.28	369.78	8.51	-48.77
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012395959	0	49	0.0	-73.00	379.02	5.17	-67.83
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300012395960	0	48	0.0	-77.55	403.51	8.81	-68.74
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1	REAL300012395961	0	46	0.0	-77.67	367.20	8.00	-69.67
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012395962	0	49	0.0	-78.58	359.47	7.96	-70.62
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012395963	0	49	0.0	-81.25	374.16	7.67	-73.58
CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012395964	0	51	0.0	-71.84	391.64	10.16	-61.68
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012395965	0	55	0.0	-62.34	399.81	9.44	-52.90
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012395966	0	48	0.0	-62.13	374.95	9.66	-52.47
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300012395967	0	55	0.0	-74.91	434.18	10.69	-64.22
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012395968	0	49	0.0	-77.76	381.73	10.14	-67.62
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012395969	0	51	0.0	-73.66	406.76	8.97	-64.69
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012395970	0	45	0.0	-80.85	345.08	8.13	-72.72
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012395971	0	42	0.0	-82.48	335.41	6.87	-75.61
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012395972	0	48	0.0	-78.82	388.87	8.20	-70.62
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012395973	0	45	0.0	-75.89	373.37	7.07	-68.82
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012395974	0	45	0.0	-74.39	352.15	7.71	-66.68
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012395975	0	49	0.0	-79.90	387.25	7.87	-72.03
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012395976	0	53	0.0	-77.55	411.22	9.50	-68.05
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012395977	0	45	0.0	-75.89	373.37	7.07	-68.82
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012395978	0	49	0.0	-84.67	360.30	8.09	-76.58
COCCCC(NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)[O-]	REAL300012395979	0	48	0.0	-72.65	379.24	4.96	-67.69
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012395980	0	49	0.0	-77.67	371.91	5.22	-72.45
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300012395981	0	45	0.0	-72.94	380.91	7.84	-65.10
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012395982	0	49	0.0	-79.46	379.71	8.46	-71.00
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012395983	0	48	0.0	-74.79	365.53	8.02	-66.77
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012395984	0	59	0.0	-76.11	415.08	9.22	-66.89
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012395985	0	51	0.0	-78.87	407.82	8.50	-70.37
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012395986	0	45	0.0	-65.52	357.03	7.83	-57.69
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012395987	0	56	0.0	-82.90	395.25	8.67	-74.23
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012395988	0	47	0.0	-74.15	394.37	6.77	-67.38
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1	REAL300012395989	0	49	0.0	-76.40	377.28	7.05	-69.35
C=CCCCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012396076	0	56	0.0	-58.47	424.86	7.83	-50.64
CC1=CN=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)=C1	REAL300012396317	0	58	0.0	-63.45	440.08	7.25	-56.20
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NN(C(C)(C)C)N=N2)CC1	REAL300012396606	0	57	0.0	-67.83	444.54	5.19	-62.64
COCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012396826	0	54	0.0	-64.73	415.56	5.59	-59.14
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCN(S(C)(=O)=O)C2)CC1	REAL300012397666	0	55	0.0	-69.92	433.44	2.67	-67.25
CC1=CC=C2CCC(NC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])C2=C1	REAL300012397958	0	57	0.0	-61.33	429.57	8.92	-52.41
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC(F)CC2)CC1	REAL300012398210	0	56	0.0	-58.57	412.83	7.62	-50.95
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	REAL300012398410	0	52	0.0	-63.37	389.69	5.08	-58.29
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=C3SC=CC3=CC=C2)CC1	REAL300012398671	0	53	0.0	-64.18	427.43	8.74	-55.44
CC(C)C[C@H](NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399267	0	52	0.0	-74.02	391.55	7.46	-66.56
CC(C)C[C@H](NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399267	1	52	0.0	-75.12	391.89	7.34	-67.78
C=CCOCC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399268	0	51	0.0	-75.72	399.32	5.82	-69.90
C=CCOCC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399268	1	51	0.0	-75.27	399.61	5.85	-69.42
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012399269	0	54	0.0	-77.84	398.07	5.84	-72.00
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012399269	1	54	0.0	-75.34	403.22	6.09	-69.25
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012399270	0	50	0.0	-69.34	401.63	8.33	-61.01
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012399270	1	50	0.0	-69.95	402.04	8.24	-61.71
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012399271	0	50	0.0	-69.22	411.53	8.78	-60.44
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012399271	1	50	0.0	-69.64	411.72	8.70	-60.94
COC1CCN(C(=O)NCCC[N@H+](C)CC(C)C)C(C(=O)[O-])C1	REAL300012399272	0	54	0.0	-84.70	393.29	8.07	-76.63
COC1CCN(C(=O)NCCC[N@@H+](C)CC(C)C)C(C(=O)[O-])C1	REAL300012399272	1	54	0.0	-84.04	393.17	8.08	-75.96
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012399273	0	54	0.0	-73.36	397.64	5.85	-67.51
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012399273	1	54	0.0	-73.97	397.67	5.86	-68.11
CC(C)C[N@H+](C)CCCNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012399274	0	53	0.0	-83.65	376.70	9.34	-74.31
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012399274	1	53	0.0	-83.13	376.89	9.34	-73.79
CC1=CC(C(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])=CC=C1F	REAL300012399275	0	53	0.0	-72.59	415.83	8.89	-63.70
CC1=CC(C(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])=CC=C1F	REAL300012399275	1	53	0.0	-71.77	415.64	8.92	-62.85
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012399276	0	55	0.0	-75.23	425.26	7.95	-67.28
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012399276	1	55	0.0	-74.90	425.03	8.05	-66.85
CC1=CC(C(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])=CC(C)=C1	REAL300012399277	0	56	0.0	-75.79	431.76	9.53	-66.26
CC1=CC(C(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])=CC(C)=C1	REAL300012399277	1	56	0.0	-75.84	431.71	9.54	-66.30
CC1=CC=C(C(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])C=C1C	REAL300012399278	0	56	0.0	-76.28	427.59	9.34	-66.94
CC1=CC=C(C(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])C=C1C	REAL300012399278	1	56	0.0	-75.71	426.95	9.36	-66.35
COC1=CC=C(C(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])C=C1Cl	REAL300012399279	0	54	0.0	-72.24	434.05	8.01	-64.23
COC1=CC=C(C(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])C=C1Cl	REAL300012399279	1	54	0.0	-75.56	434.63	8.04	-67.52
CC1=CC=CC(C(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])=C1C	REAL300012399280	0	56	0.0	-75.73	422.02	9.25	-66.48
CC1=CC=CC(C(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])=C1C	REAL300012399280	1	56	0.0	-75.88	419.36	9.14	-66.74
COC1=CC=C(C(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])C=C1F	REAL300012399281	0	54	0.0	-73.49	425.06	7.49	-66.00
COC1=CC=C(C(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])C=C1F	REAL300012399281	1	54	0.0	-76.50	425.07	7.47	-69.03
CC(C)C[N@H+](C)CCCNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012399282	0	53	0.0	-61.51	385.48	9.03	-52.48
CC(C)C[N@@H+](C)CCCNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012399282	1	53	0.0	-61.75	385.31	8.97	-52.78
CCCN(C(=O)NCCC[N@H+](C)CC(C)C)C(COC)C(=O)[O-]	REAL300012399283	0	56	0.0	-78.28	415.50	9.58	-68.70
CCCN(C(=O)NCCC[N@@H+](C)CC(C)C)C(COC)C(=O)[O-]	REAL300012399283	1	56	0.0	-76.23	415.08	9.54	-66.69
CCCN(C(=O)NCCC[N@H+](C)CC(C)C)C(CC)C(=O)[O-]	REAL300012399284	0	55	0.0	-75.91	400.51	10.24	-65.67
CCCN(C(=O)NCCC[N@@H+](C)CC(C)C)C(CC)C(=O)[O-]	REAL300012399284	1	55	0.0	-54.66	397.24	10.29	-44.37
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012399285	0	50	0.0	-71.82	405.86	8.66	-63.16
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012399285	1	50	0.0	-71.72	405.62	8.74	-62.98
CC(C)C[N@H+](C)CCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012399286	0	48	0.0	-81.18	362.90	9.09	-72.09
CC(C)C[N@@H+](C)CCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012399286	1	48	0.0	-81.34	362.91	9.09	-72.25
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012399287	0	53	0.0	-77.78	382.70	8.26	-69.52
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012399287	1	53	0.0	-77.67	382.51	8.26	-69.41
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012399288	0	56	0.0	-78.13	388.17	8.94	-69.19
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012399288	1	56	0.0	-79.24	388.38	8.92	-70.32
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012399289	0	53	0.0	-75.19	411.19	9.13	-66.06
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012399289	1	53	0.0	-76.12	411.40	9.12	-67.00
CC(C)C[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012399290	0	53	0.0	-60.22	409.92	10.88	-49.34
CC(C)C[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012399290	1	53	0.0	-59.83	409.92	10.88	-48.95
CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012399291	0	50	0.0	-74.99	388.93	8.21	-66.78
CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012399291	1	50	0.0	-76.21	389.38	8.12	-68.09
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012399292	0	50	0.0	-75.23	389.10	8.19	-67.04
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012399292	1	50	0.0	-75.64	389.15	8.14	-67.50
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012399293	0	53	0.0	-75.19	411.19	9.13	-66.06
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012399293	1	53	0.0	-76.12	411.40	9.12	-67.00
CCC(C)C(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399294	0	52	0.0	-75.18	387.97	7.28	-67.90
CCC(C)C(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399294	1	52	0.0	-74.98	387.98	7.28	-67.70
CCCC(C)(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399295	0	52	0.0	-73.97	378.84	7.18	-66.79
CCCC(C)(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399295	1	52	0.0	-74.54	378.83	7.16	-67.38
CC(C)CN(CC(=O)[O-])C(=O)NCCC[N@H+](C)CC(C)C	REAL300012399296	0	52	0.0	-59.62	387.08	9.15	-50.47
CC(C)CN(CC(=O)[O-])C(=O)NCCC[N@@H+](C)CC(C)C	REAL300012399296	1	52	0.0	-59.86	387.04	8.91	-50.95
CC(C)C[N@H+](C)CCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012399297	0	54	0.0	-83.58	400.70	11.12	-72.46
CC(C)C[N@@H+](C)CCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012399297	1	54	0.0	-85.29	401.37	11.27	-74.02
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012399298	0	47	0.0	-74.33	380.96	7.19	-67.14
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012399298	1	47	0.0	-73.92	380.75	7.27	-66.65
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012399299	0	53	0.0	-77.78	382.70	8.26	-69.52
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012399299	1	53	0.0	-77.67	382.51	8.26	-69.41
CC(C)C[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012399300	0	53	0.0	-57.52	426.57	11.41	-46.11
CC(C)C[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012399300	1	53	0.0	-58.29	426.77	11.39	-46.90
CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012399301	0	57	0.0	-77.65	440.69	9.13	-68.52
CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012399301	1	57	0.0	-76.68	440.46	9.15	-67.53
CC[C@H](C)[C@H](NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399302	0	52	0.0	-74.90	384.24	7.02	-67.88
CC[C@H](C)[C@H](NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399302	1	52	0.0	-73.85	382.57	7.00	-66.85
COC1=CC(CN(CC(=O)[O-])C(=O)NCCC[N@H+](C)CC(C)C)=CC(OC)=C1	REAL300012399303	0	61	0.0	-62.44	469.12	9.47	-52.97
COC1=CC(CN(CC(=O)[O-])C(=O)NCCC[N@@H+](C)CC(C)C)=CC(OC)=C1	REAL300012399303	1	61	0.0	-63.94	463.06	9.17	-54.77
CC(C)C[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012399304	0	53	0.0	-57.63	416.45	10.93	-46.70
CC(C)C[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012399304	1	53	0.0	-58.48	416.44	10.93	-47.55
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012399305	0	54	0.0	-77.04	407.31	9.29	-67.75
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012399305	1	54	0.0	-77.52	407.32	9.29	-68.23
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012399306	0	50	0.0	-75.81	399.93	8.34	-67.47
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012399306	1	50	0.0	-75.37	399.95	8.34	-67.03
CC(C)C[N@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012399307	0	53	0.0	-75.91	396.93	8.90	-67.01
CC(C)C[N@@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012399307	1	53	0.0	-76.01	397.17	8.90	-67.11
CCCCCCC(C)(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399308	0	61	0.0	-74.15	443.34	9.51	-64.64
CCCCCCC(C)(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399308	1	61	0.0	-74.05	443.13	9.53	-64.52
CC(C)C[N@H+](C)CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012399309	0	56	0.0	-73.13	420.50	11.09	-62.04
CC(C)C[N@@H+](C)CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012399309	1	56	0.0	-73.95	420.20	10.98	-62.97
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012399310	0	50	0.0	-71.82	405.86	8.66	-63.16
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012399310	1	50	0.0	-71.72	405.62	8.74	-62.98
CC(C)C[N@H+](C)CCCNC(=O)N1CCOCC1C(=O)[O-]	REAL300012399311	0	48	0.0	-80.73	353.59	6.51	-74.22
CC(C)C[N@@H+](C)CCCNC(=O)N1CCOCC1C(=O)[O-]	REAL300012399311	1	48	0.0	-80.45	354.25	6.57	-73.88
CC(C)C[N@H+](C)CCCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012399312	0	56	0.0	-80.21	391.57	9.56	-70.65
CC(C)C[N@@H+](C)CCCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012399312	1	56	0.0	-79.37	391.90	9.55	-69.82
CC(C)C[N@H+](C)CCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012399313	0	56	0.0	-61.21	432.33	11.64	-49.57
CC(C)C[N@@H+](C)CCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012399313	1	56	0.0	-60.87	432.33	11.65	-49.22
CC(C)C[N@H+](C)CCCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012399314	0	53	0.0	-73.15	396.69	9.80	-63.35
CC(C)C[N@@H+](C)CCCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012399314	1	53	0.0	-72.77	396.43	9.71	-63.06
COCCN(CC(=O)[O-])C(=O)NCCC[N@H+](C)CC(C)C	REAL300012399315	0	50	0.0	-60.20	382.51	7.03	-53.17
COCCN(CC(=O)[O-])C(=O)NCCC[N@@H+](C)CC(C)C	REAL300012399315	1	50	0.0	-60.75	382.30	7.06	-53.69
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012399316	0	54	0.0	-80.85	404.37	9.22	-71.63
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012399316	1	54	0.0	-79.87	404.18	9.25	-70.62
CC(C)C[N@H+](C)CCCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012399317	0	57	0.0	-82.65	445.52	8.99	-73.66
CC(C)C[N@@H+](C)CCCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012399317	1	57	0.0	-82.87	445.28	9.06	-73.81
CC(C)C[N@H+](C)CCCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012399318	0	53	0.0	-82.41	376.48	9.51	-72.90
CC(C)C[N@@H+](C)CCCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012399318	1	53	0.0	-81.11	375.96	9.51	-71.60
CCCCC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399319	0	52	0.0	-73.11	395.16	7.62	-65.49
CCCCC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399319	1	52	0.0	-74.05	395.36	7.60	-66.45
CC(C)C[N@H+](C)CCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012399320	0	56	0.0	-61.21	432.33	11.64	-49.57
CC(C)C[N@@H+](C)CCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012399320	1	56	0.0	-60.87	432.33	11.65	-49.22
CC(C)C[N@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012399321	0	53	0.0	-58.76	387.27	9.44	-49.32
CC(C)C[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012399321	1	53	0.0	-59.22	387.27	9.44	-49.78
CCCCCC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399322	0	55	0.0	-74.01	417.70	8.38	-65.63
CCCCCC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399322	1	55	0.0	-73.99	417.49	8.40	-65.59
CCC1CCC(NC(=O)NCCC[N@H+](C)CC(C)C)(C(=O)[O-])CC1	REAL300012399323	0	59	0.0	-78.37	421.79	9.49	-68.88
CCC1CCC(NC(=O)NCCC[N@@H+](C)CC(C)C)(C(=O)[O-])CC1	REAL300012399323	1	59	0.0	-77.31	421.58	9.52	-67.79
CC(C)C[N@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012399324	0	54	0.0	-59.29	395.89	7.75	-51.54
CC(C)C[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012399324	1	54	0.0	-60.20	395.98	7.76	-52.44
CC(C)C[N@H+](C)CCCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012399325	0	53	0.0	-81.19	379.72	9.11	-72.08
CC(C)C[N@@H+](C)CCCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012399325	1	53	0.0	-80.34	378.29	8.87	-71.47
CCC(C(=O)[O-])N(C(=O)NCCC[N@H+](C)CC(C)C)C1CC1	REAL300012399326	0	53	0.0	-73.53	384.77	9.50	-64.03
CCC(C(=O)[O-])N(C(=O)NCCC[N@@H+](C)CC(C)C)C1CC1	REAL300012399326	1	53	0.0	-59.85	390.01	9.57	-50.28
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012399327	0	50	0.0	-77.92	401.31	8.54	-69.38
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012399327	1	50	0.0	-77.10	401.06	8.57	-68.53
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012399328	0	50	0.0	-80.65	393.32	8.29	-72.36
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012399328	1	50	0.0	-80.10	392.73	8.23	-71.87
CC(C)C[N@H+](C)CCCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012399329	0	54	0.0	-62.31	403.67	10.55	-51.76
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012399329	1	54	0.0	-63.13	404.19	10.55	-52.58
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012399330	0	53	0.0	-71.73	421.71	9.11	-62.62
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012399330	1	53	0.0	-72.35	421.94	9.11	-63.24
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012399331	0	59	0.0	-80.03	455.16	11.08	-68.95
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012399331	1	59	0.0	-78.53	454.76	11.12	-67.41
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012399332	0	59	0.0	-74.83	433.52	9.25	-65.58
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012399332	1	59	0.0	-75.43	433.53	9.25	-66.18
CC(C)C[N@H+](C)CCCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012399333	0	56	0.0	-59.50	421.47	11.76	-47.74
CC(C)C[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012399333	1	56	0.0	-57.99	421.89	11.44	-46.55
CC1=CC=C(C(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])C=C1	REAL300012399334	0	53	0.0	-75.83	410.52	8.87	-66.96
CC1=CC=C(C(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])C=C1	REAL300012399334	1	53	0.0	-75.28	410.53	8.87	-66.41
CC(C)C[N@H+](C)CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012399335	0	46	0.0	-68.61	368.93	6.76	-61.85
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012399335	1	46	0.0	-68.41	368.93	6.75	-61.66
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012399336	0	56	0.0	-77.25	435.35	10.39	-66.86
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012399336	1	56	0.0	-77.41	435.11	10.46	-66.95
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012399337	0	51	0.0	-74.02	380.41	7.94	-66.08
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012399337	1	51	0.0	-74.56	380.42	7.95	-66.61
COCC(C)(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399338	0	50	0.0	-78.13	375.59	5.70	-72.43
COCC(C)(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399338	1	50	0.0	-78.74	375.57	5.69	-73.05
CCOCC(C(=O)[O-])N(C)C(=O)NCCC[N@H+](C)CC(C)C	REAL300012399339	0	53	0.0	-71.76	394.91	7.56	-64.20
CCOCC(C(=O)[O-])N(C)C(=O)NCCC[N@@H+](C)CC(C)C	REAL300012399339	1	53	0.0	-72.51	394.81	7.42	-65.09
CC(C)CN(CC(=O)[O-])C(=O)NCCC[N@H+](C)CC(C)C	REAL300012399340	0	52	0.0	-59.62	387.08	9.15	-50.47
CC(C)CN(CC(=O)[O-])C(=O)NCCC[N@@H+](C)CC(C)C	REAL300012399340	1	52	0.0	-59.86	387.04	8.91	-50.95
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC[N@H+](C)CC(C)C	REAL300012399341	0	59	0.0	-57.13	429.99	11.32	-45.81
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC[N@@H+](C)CC(C)C	REAL300012399341	1	59	0.0	-55.69	430.09	11.40	-44.29
CC(C)C[N@H+](C)CCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012399342	0	49	0.0	-60.08	390.56	9.01	-51.07
CC(C)C[N@@H+](C)CCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012399342	1	49	0.0	-59.39	390.76	8.99	-50.40
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012399343	0	48	0.0	-73.54	358.72	4.56	-68.98
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012399343	1	48	0.0	-73.41	358.52	4.57	-68.84
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012399344	0	56	0.0	-76.05	406.72	8.26	-67.79
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012399344	1	56	0.0	-76.37	406.73	8.27	-68.10
CC(C)C[N@H+](C)CCCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012399345	0	57	0.0	-72.50	422.30	8.82	-63.68
CC(C)C[N@@H+](C)CCCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012399345	1	57	0.0	-73.03	422.31	8.83	-64.20
CC(C)C[N@H+](C)CCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012399346	0	57	0.0	-83.44	428.27	12.06	-71.38
CC(C)C[N@@H+](C)CCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012399346	1	57	0.0	-82.41	428.24	12.06	-70.35
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012399347	0	51	0.0	-77.02	374.13	5.76	-71.26
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012399347	1	51	0.0	-77.04	374.14	5.77	-71.27
CC(C)C[N@H+](C)CCCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012399348	0	56	0.0	-78.28	419.73	11.72	-66.56
CC(C)C[N@@H+](C)CCCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012399348	1	56	0.0	-53.70	419.46	11.87	-41.83
CCC(CC)(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399349	0	52	0.0	-74.89	374.01	7.30	-67.59
CCC(CC)(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399349	1	52	0.0	-74.90	373.80	7.32	-67.58
COC1=CC=C(C(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])C=C1	REAL300012399350	0	54	0.0	-75.47	418.83	7.42	-68.05
COC1=CC=C(C(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])C=C1	REAL300012399350	1	54	0.0	-75.42	418.22	7.44	-67.98
CCC(C)N(CC(=O)[O-])C(=O)NCCC[N@H+](C)CC(C)C	REAL300012399351	0	52	0.0	-58.35	383.78	9.36	-48.99
CCC(C)N(CC(=O)[O-])C(=O)NCCC[N@@H+](C)CC(C)C	REAL300012399351	1	52	0.0	-59.00	383.34	9.41	-49.59
CCC(COC)(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399352	0	53	0.0	-79.13	392.05	6.63	-72.50
CCC(COC)(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399352	1	53	0.0	-79.41	392.05	6.62	-72.79
CC(C)C[N@H+](C)CCCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012399353	0	56	0.0	-72.79	415.38	8.28	-64.51
CC(C)C[N@@H+](C)CCCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012399353	1	56	0.0	-71.56	416.11	8.29	-63.27
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012399354	0	53	0.0	-78.66	399.04	4.27	-74.39
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012399354	1	53	0.0	-79.60	399.27	4.25	-75.35
COCCC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399355	0	50	0.0	-74.25	386.88	5.11	-69.14
COCCC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399355	1	50	0.0	-73.71	385.83	5.15	-68.56
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC[N@H+](C)CC(C)C	REAL300012399356	0	55	0.0	-71.25	401.69	9.54	-61.71
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC[N@@H+](C)CC(C)C	REAL300012399356	1	55	0.0	-72.55	402.23	9.49	-63.06
CC(C)C[N@H+](C)CCCNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012399357	0	46	0.0	-74.18	365.54	6.33	-67.85
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012399357	1	46	0.0	-69.29	363.61	6.58	-62.71
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC[N@H+](C)CC(C)C	REAL300012399358	0	56	0.0	-83.44	403.25	10.27	-73.17
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC[N@@H+](C)CC(C)C	REAL300012399358	1	56	0.0	-82.84	403.53	10.49	-72.35
CCCN(C(=O)NCCC[N@H+](C)CC(C)C)C(C)C(=O)[O-]	REAL300012399359	0	52	0.0	-70.88	382.66	8.70	-62.18
CCCN(C(=O)NCCC[N@@H+](C)CC(C)C)C(C)C(=O)[O-]	REAL300012399359	1	52	0.0	-70.57	382.66	8.71	-61.86
CC(C)C[N@H+](C)CCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012399360	0	56	0.0	-53.60	420.60	11.95	-41.65
CC(C)C[N@@H+](C)CCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012399360	1	56	0.0	-53.54	421.47	11.92	-41.62
CCC(NC(=O)NCCC[N@H+](C)CC(C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012399361	0	56	0.0	-74.18	430.87	10.31	-63.87
CCC(NC(=O)NCCC[N@@H+](C)CC(C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012399361	1	56	0.0	-73.25	430.66	10.32	-62.93
CCC(NC(=O)NCCC[N@H+](C)CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012399362	0	56	0.0	-76.87	414.03	9.75	-67.12
CCC(NC(=O)NCCC[N@@H+](C)CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012399362	1	56	0.0	-77.40	414.01	9.76	-67.64
COC1CCCC(C(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])C1	REAL300012399363	0	60	0.0	-80.78	439.38	7.25	-73.53
COC1CCCC(C(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])C1	REAL300012399363	1	60	0.0	-78.15	442.39	7.52	-70.63
COC1(CC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])CCC1	REAL300012399364	0	57	0.0	-75.99	423.40	7.42	-68.57
COC1(CC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])CCC1	REAL300012399364	1	57	0.0	-73.60	422.63	7.12	-66.48
CC(C)C[N@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012399365	0	54	0.0	-59.29	395.89	7.75	-51.54
CC(C)C[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012399365	1	54	0.0	-60.20	395.98	7.76	-52.44
CC(C)C[N@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012399366	0	56	0.0	-59.25	404.64	10.15	-49.10
CC(C)C[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012399366	1	56	0.0	-60.09	404.86	10.13	-49.96
CC(C)C[N@H+](C)CCCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012399367	0	56	0.0	-77.94	396.30	8.65	-69.29
CC(C)C[N@@H+](C)CCCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012399367	1	56	0.0	-77.99	396.48	8.65	-69.34
COC1=CC=CC(C(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])=C1	REAL300012399368	0	54	0.0	-77.71	418.62	7.48	-70.23
COC1=CC=CC(C(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])=C1	REAL300012399368	1	54	0.0	-77.99	418.63	7.43	-70.56
CC(C)C[N@H+](C)CCCNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012399369	0	49	0.0	-70.69	363.72	6.57	-64.12
CC(C)C[N@@H+](C)CCCNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012399369	1	49	0.0	-70.76	363.93	6.56	-64.20
CC(C)C[N@H+](C)CCCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012399370	0	51	0.0	-64.53	386.20	8.76	-55.77
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012399370	1	51	0.0	-65.07	386.51	8.74	-56.33
CC(C)C[N@H+](C)CCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012399371	0	47	0.0	-74.01	365.50	7.83	-66.18
CC(C)C[N@@H+](C)CCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012399371	1	47	0.0	-74.17	365.50	7.83	-66.34
COC1=CC=CC([C@H](NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])=C1	REAL300012399372	0	54	0.0	-78.16	418.83	7.41	-70.75
COC1=CC=CC([C@H](NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])=C1	REAL300012399372	1	54	0.0	-77.97	418.63	7.41	-70.56
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC[N@H+](C)CC(C)C)C1	REAL300012399373	0	56	0.0	-82.92	417.87	9.86	-73.06
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC[N@@H+](C)CC(C)C)C1	REAL300012399373	1	56	0.0	-82.23	417.79	9.84	-72.39
COC1=CC=CC(CC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])=C1	REAL300012399374	0	57	0.0	-79.80	441.08	8.35	-71.45
COC1=CC=CC(CC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])=C1	REAL300012399374	1	57	0.0	-79.19	441.07	8.36	-70.83
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012399375	0	59	0.0	-78.59	410.43	9.14	-69.45
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012399375	1	59	0.0	-78.94	410.42	9.14	-69.80
CC(C)C[N@H+](C)CCCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012399376	0	56	0.0	-73.20	431.29	9.77	-63.43
CC(C)C[N@@H+](C)CCCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012399376	1	56	0.0	-72.92	431.29	9.78	-63.14
CC(C)C[N@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012399377	0	55	0.0	-71.38	425.17	9.59	-61.79
CC(C)C[N@@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012399377	1	55	0.0	-80.07	425.16	9.56	-70.51
COC1CN(C(=O)NCCC[N@H+](C)CC(C)C)C(C)(C(=O)[O-])C1	REAL300012399378	0	54	0.0	-77.79	401.87	7.54	-70.25
COC1CN(C(=O)NCCC[N@@H+](C)CC(C)C)C(C)(C(=O)[O-])C1	REAL300012399378	1	54	0.0	-76.92	401.66	7.55	-69.37
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012399379	0	57	0.0	-73.97	420.36	7.56	-66.41
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012399379	1	57	0.0	-73.53	424.15	6.96	-66.57
CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012399380	0	52	0.0	-76.02	383.99	7.15	-68.87
CC(C)C[N@@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012399380	1	52	0.0	-75.39	383.99	7.15	-68.24
C=C(Cl)CC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399381	0	47	0.0	-74.12	381.43	7.14	-66.98
C=C(Cl)CC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399381	1	47	0.0	-74.84	382.47	7.10	-67.74
CC(C)C[N@H+](C)CCCNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012399382	0	51	0.0	-88.02	373.83	9.41	-78.61
CC(C)C[N@@H+](C)CCCNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012399382	1	51	0.0	-88.67	374.07	9.37	-79.30
CC(C)C[N@H+](C)CCCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012399383	0	56	0.0	-74.49	421.16	9.32	-65.17
CC(C)C[N@@H+](C)CCCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012399383	1	56	0.0	-73.48	420.97	9.33	-64.15
CC(C)C[N@H+](C)CCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012399384	0	47	0.0	-74.13	365.53	7.83	-66.30
CC(C)C[N@@H+](C)CCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012399384	1	47	0.0	-73.60	364.72	8.14	-65.46
CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012399385	0	47	0.0	-77.90	358.25	8.07	-69.83
CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012399385	1	47	0.0	-77.57	358.26	8.06	-69.51
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012399386	0	57	0.0	-75.97	424.42	6.92	-69.05
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012399386	1	57	0.0	-74.98	420.45	7.51	-67.47
CC(C)C[C@H](NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399387	0	52	0.0	-74.02	391.55	7.46	-66.56
CC(C)C[C@H](NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399387	1	52	0.0	-75.12	391.89	7.34	-67.78
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012399388	0	54	0.0	-77.84	398.07	5.84	-72.00
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012399388	1	54	0.0	-75.34	403.22	6.09	-69.25
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012399389	0	50	0.0	-75.23	389.10	8.19	-67.04
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012399389	1	50	0.0	-75.64	389.15	8.14	-67.50
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012399390	0	53	0.0	-74.58	427.88	9.12	-65.46
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012399390	1	53	0.0	-74.60	427.87	9.12	-65.48
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012399391	0	49	0.0	-74.64	398.16	6.21	-68.43
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012399391	1	49	0.0	-72.94	398.17	6.23	-66.71
CC(C)CCCC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399392	0	58	0.0	-73.36	434.43	8.89	-64.47
CC(C)CCCC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399392	1	58	0.0	-74.03	435.05	8.90	-65.13
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012399393	0	56	0.0	-73.73	441.29	9.48	-64.25
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012399393	1	56	0.0	-78.38	441.11	9.51	-68.87
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012399394	0	54	0.0	-78.29	409.19	6.44	-71.85
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012399394	1	54	0.0	-78.69	409.15	6.50	-72.19
CSCC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399395	0	47	0.0	-70.59	375.79	6.51	-64.08
CSCC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399395	1	47	0.0	-71.49	375.99	6.48	-65.01
CC(C)C[N@H+](C)CCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012399396	0	53	0.0	-73.40	417.73	9.18	-64.22
CC(C)C[N@@H+](C)CCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012399396	1	53	0.0	-73.89	417.80	9.19	-64.70
CCC(C)CC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399397	0	55	0.0	-73.46	409.10	8.03	-65.43
CCC(C)CC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399397	1	55	0.0	-74.39	409.93	8.03	-66.36
C=CCCCC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399398	0	53	0.0	-72.97	407.97	8.19	-64.78
C=CCCCC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399398	1	53	0.0	-72.92	408.18	8.16	-64.76
CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012399399	0	53	0.0	-74.28	417.97	9.13	-65.15
CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012399399	1	53	0.0	-73.14	417.14	9.13	-64.01
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012399400	0	56	0.0	-79.11	428.61	10.30	-68.81
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012399400	1	56	0.0	-80.13	430.24	10.22	-69.91
CC(C)C[N@H+](C)CCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012399401	0	48	0.0	-81.18	362.90	9.09	-72.09
CC(C)C[N@@H+](C)CCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012399401	1	48	0.0	-81.34	362.91	9.09	-72.25
CC(C)C[N@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012399402	0	53	0.0	-75.91	396.93	8.90	-67.01
CC(C)C[N@@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012399402	1	53	0.0	-76.01	397.17	8.90	-67.11
CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012399403	0	51	0.0	-86.28	373.81	9.49	-76.79
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012399403	1	51	0.0	-86.12	373.77	9.49	-76.63
CCN(C(=O)NCCC[N@H+](C)CC(C)C)C(C)(C)C(=O)[O-]	REAL300012399404	0	52	0.0	-76.99	377.73	8.83	-68.16
CCN(C(=O)NCCC[N@@H+](C)CC(C)C)C(C)(C)C(=O)[O-]	REAL300012399404	1	52	0.0	-77.20	377.54	8.83	-68.37
CCCN(C(=O)NCCC[N@H+](C)CC(C)C)C(C)C(=O)[O-]	REAL300012399405	0	52	0.0	-70.88	382.66	8.70	-62.18
CCCN(C(=O)NCCC[N@@H+](C)CC(C)C)C(C)C(=O)[O-]	REAL300012399405	1	52	0.0	-70.57	382.66	8.71	-61.86
CC(C)C[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012399406	0	46	0.0	-69.33	365.54	8.39	-60.94
CC(C)C[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012399406	1	46	0.0	-69.96	365.75	8.36	-61.60
CC(C)C[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012399407	0	46	0.0	-69.33	365.54	8.39	-60.94
CC(C)C[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012399407	1	46	0.0	-69.96	365.75	8.36	-61.60
CC(C)C[N@H+](C)CCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012399408	0	59	0.0	-61.30	439.47	6.33	-54.97
CC(C)C[N@@H+](C)CCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012399408	1	59	0.0	-60.34	439.47	6.34	-54.00
CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012399409	0	48	0.0	-82.71	363.96	4.26	-78.45
CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012399409	1	48	0.0	-82.54	363.79	4.28	-78.26
CC(C)C[N@H+](C)CCCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012399410	1	63	0.0	-59.83	459.24	5.98	-53.85
CC(C)C[N@@H+](C)CCCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012399410	1	63	0.0	-60.30	459.25	5.99	-54.31
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC[N@@H+](C)CC(C)C	REAL300012399411	0	54	0.0	-57.38	407.25	10.92	-46.46
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC[N@H+](C)CC(C)C	REAL300012399411	1	54	0.0	-56.46	407.76	10.89	-45.57
CC(C)C[N@H+](C)CCCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012399412	0	57	0.0	-63.58	416.07	11.20	-52.38
CC(C)C[N@@H+](C)CCCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012399412	1	57	0.0	-63.21	416.08	11.19	-52.02
CC(C)C[N@H+](C)CCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012399413	0	55	0.0	-73.84	408.62	9.27	-64.57
CC(C)C[N@@H+](C)CCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012399413	1	55	0.0	-73.89	408.84	9.26	-64.63
CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012399414	0	50	0.0	-74.99	388.93	8.21	-66.78
CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012399414	1	50	0.0	-76.21	389.38	8.12	-68.09
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012399415	0	53	0.0	-71.04	427.66	9.21	-61.83
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012399415	1	53	0.0	-70.87	427.66	9.22	-61.65
CC(C)C[N@H+](C)CCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012399416	0	55	0.0	-76.09	429.48	8.06	-68.03
CC(C)C[N@@H+](C)CCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012399416	1	55	0.0	-76.08	429.49	8.06	-68.02
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012399417	0	49	0.0	-76.61	397.71	6.14	-70.47
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012399417	1	49	0.0	-77.96	398.16	6.05	-71.91
CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012399418	0	50	0.0	-71.21	417.66	7.86	-63.35
CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012399418	1	50	0.0	-69.82	416.64	7.91	-61.91
CC(C)C[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012399419	0	50	0.0	-90.04	382.05	5.52	-84.52
CC(C)C[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012399419	1	50	0.0	-90.17	382.25	5.53	-84.64
CC(C)C[N@H+](C)CCCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012399420	0	51	0.0	-75.10	380.02	7.23	-67.87
CC(C)C[N@@H+](C)CCCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012399420	1	51	0.0	-75.59	380.07	7.23	-68.36
CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012399421	0	50	0.0	-75.58	388.72	8.14	-67.44
CC(C)C[N@@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012399421	1	50	0.0	-75.47	389.15	8.13	-67.34
CC(C)C[N@H+](C)CCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012399422	0	53	0.0	-76.91	398.61	7.46	-69.45
CC(C)C[N@@H+](C)CCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012399422	1	53	0.0	-77.16	398.61	7.47	-69.69
CC(C)C[N@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012399423	0	53	0.0	-58.76	387.27	9.44	-49.32
CC(C)C[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012399423	1	53	0.0	-59.22	387.27	9.44	-49.78
CC[C@H](C)[C@H](NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399424	0	52	0.0	-74.90	384.24	7.02	-67.88
CC[C@H](C)[C@H](NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399424	1	52	0.0	-73.85	382.57	7.00	-66.85
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012399425	0	51	0.0	-84.06	384.86	3.93	-80.13
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012399425	1	51	0.0	-83.22	384.66	3.95	-79.27
CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012399426	0	59	0.0	-77.14	436.74	7.32	-69.82
CC(C)C[N@@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012399426	1	59	0.0	-74.88	433.44	7.23	-67.65
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012399427	0	53	0.0	-77.63	389.06	7.79	-69.84
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012399427	1	53	0.0	-77.86	389.07	7.80	-70.06
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012399428	0	56	0.0	-77.79	398.52	8.52	-69.27
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012399428	1	56	0.0	-79.36	397.14	8.40	-70.96
COCCC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399429	0	50	0.0	-74.25	386.88	5.11	-69.14
COCCC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399429	1	50	0.0	-73.71	385.83	5.15	-68.56
CC(C)C[N@H+](C)CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012399430	0	56	0.0	-73.13	420.50	11.09	-62.04
CC(C)C[N@@H+](C)CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012399430	1	56	0.0	-73.95	420.20	10.98	-62.97
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012399431	0	53	0.0	-80.18	390.53	8.45	-71.73
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012399431	1	53	0.0	-79.60	390.54	8.45	-71.15
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012399432	0	60	0.0	-80.12	437.60	10.49	-69.63
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012399432	1	60	0.0	-80.56	438.20	10.51	-70.05
CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012399433	0	59	0.0	-76.19	437.32	7.30	-68.89
CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012399433	1	59	0.0	-77.00	437.55	7.27	-69.73
CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012399434	0	48	0.0	-87.28	363.96	4.42	-82.86
CC(C)C[N@@H+](C)CCCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012399434	1	48	0.0	-87.19	362.66	4.44	-82.75
CC(C)C[N@H+](C)CCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012399435	0	58	0.0	-64.33	430.93	11.69	-52.64
CC(C)C[N@@H+](C)CCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012399435	1	58	0.0	-63.62	431.34	11.70	-51.92
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012399436	0	51	0.0	-74.05	379.77	5.10	-68.95
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012399436	1	51	0.0	-72.77	387.74	5.18	-67.59
CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012399437	0	51	0.0	-84.33	373.65	9.10	-75.23
CC(C)C[N@@H+](C)CCCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012399437	1	51	0.0	-84.15	373.79	9.10	-75.05
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012399438	0	54	0.0	-83.39	421.07	8.20	-75.19
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012399438	1	54	0.0	-83.62	421.07	8.21	-75.41
CC(C)C[N@H+](C)CCCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012399439	0	49	0.0	-81.78	366.30	6.86	-74.92
CC(C)C[N@@H+](C)CCCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012399439	1	49	0.0	-81.76	366.57	6.77	-74.99
CC(C)C[N@H+](C)CCCNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012399440	0	53	0.0	-83.47	383.92	9.83	-73.64
CC(C)C[N@@H+](C)CCCNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012399440	1	53	0.0	-83.42	383.92	9.83	-73.59
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012399441	0	56	0.0	-75.31	428.35	9.46	-65.85
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012399441	1	56	0.0	-74.10	426.60	9.49	-64.61
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012399442	0	57	0.0	-75.24	425.91	9.18	-66.06
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012399442	1	57	0.0	-74.81	421.45	9.84	-64.97
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012399443	0	63	0.0	-77.32	446.44	8.80	-68.52
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012399443	1	63	0.0	-76.24	446.25	8.82	-67.42
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012399444	0	56	0.0	-76.05	406.72	8.26	-67.79
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012399444	1	56	0.0	-76.37	406.73	8.27	-68.10
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012399445	0	57	0.0	-73.31	425.18	7.84	-65.47
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012399445	1	57	0.0	-73.94	425.20	7.84	-66.10
CC(C)C[N@H+](C)CCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012399446	0	57	0.0	-53.81	398.84	9.79	-44.02
CC(C)C[N@@H+](C)CCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012399446	1	57	0.0	-50.37	401.68	9.94	-40.43
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012399447	0	57	0.0	-77.83	402.63	7.05	-70.78
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012399447	1	57	0.0	-78.74	403.15	7.04	-71.70
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012399448	0	56	0.0	-76.07	449.56	10.38	-65.69
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012399448	1	56	0.0	-77.13	449.82	10.33	-66.80
CC1=CC=CC2=C1CCN(C(=O)NCCC[N@@H+](C)CC(C)C)C2C(=O)[O-]	REAL300012399449	0	57	0.0	-65.09	421.19	11.11	-53.98
CC1=CC=CC2=C1CCN(C(=O)NCCC[N@H+](C)CC(C)C)C2C(=O)[O-]	REAL300012399449	1	57	0.0	-64.54	421.72	11.10	-53.44
CC(C)C[N@H+](C)CCCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012399450	0	51	0.0	-56.21	374.80	8.98	-47.23
CC(C)C[N@@H+](C)CCCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012399450	1	51	0.0	-56.67	374.71	8.97	-47.70
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012399451	0	57	0.0	-75.24	425.91	9.18	-66.06
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012399451	1	57	0.0	-74.81	421.45	9.84	-64.97
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012399452	0	53	0.0	-71.95	417.14	9.13	-62.82
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012399452	1	53	0.0	-71.88	417.78	9.14	-62.74
COC1CC(NC(=O)NCCC[N@H+](C)CC(C)C)(C(=O)[O-])C1	REAL300012399453	0	51	0.0	-74.88	385.93	5.62	-69.26
COC1CC(NC(=O)NCCC[N@@H+](C)CC(C)C)(C(=O)[O-])C1	REAL300012399453	1	51	0.0	-74.66	385.73	5.64	-69.02
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012399454	0	47	0.0	-76.90	362.75	6.78	-70.12
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012399454	1	47	0.0	-77.43	362.75	6.78	-70.65
CO[C@H]1C[C@](NC(=O)NCCC[N@H+](C)CC(C)C)(C(=O)[O-])C1	REAL300012399455	0	51	0.0	-74.53	385.52	5.63	-68.90
CO[C@H]1C[C@](NC(=O)NCCC[N@@H+](C)CC(C)C)(C(=O)[O-])C1	REAL300012399455	1	51	0.0	-75.28	385.94	5.62	-69.66
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012399456	0	50	0.0	-77.59	392.40	7.71	-69.88
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012399456	1	50	0.0	-76.90	391.27	7.77	-69.13
CCC1(C(=O)[O-])CCCN1C(=O)NCCC[N@H+](C)CC(C)C	REAL300012399457	0	53	0.0	-82.62	382.31	9.74	-72.88
CCC1(C(=O)[O-])CCCN1C(=O)NCCC[N@@H+](C)CC(C)C	REAL300012399457	1	53	0.0	-82.52	382.04	9.74	-72.78
CC(C)C[N@H+](C)CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012399458	0	46	0.0	-68.61	368.93	6.76	-61.85
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012399458	1	46	0.0	-68.41	368.93	6.75	-61.66
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012399459	0	54	0.0	-74.24	408.08	6.10	-68.14
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012399459	1	54	0.0	-73.70	407.64	6.18	-67.52
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012399460	0	50	0.0	-74.84	402.47	8.14	-66.70
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012399460	1	50	0.0	-74.75	402.67	8.13	-66.62
COCC(NC(=O)NCCC[N@H+](C)CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012399461	0	57	0.0	-74.74	429.92	8.10	-66.64
COCC(NC(=O)NCCC[N@@H+](C)CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012399461	1	57	0.0	-75.60	430.11	8.09	-67.51
CC(C)C[N@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012399462	0	52	0.0	-74.45	373.87	7.13	-67.32
CC(C)C[N@@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012399462	1	52	0.0	-74.33	372.06	7.06	-67.27
CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012399463	0	51	0.0	-82.37	375.19	8.71	-73.66
CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012399463	1	51	0.0	-82.96	375.20	8.72	-74.24
CC(C)C[N@H+](C)CCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012399464	0	56	0.0	-53.60	420.60	11.95	-41.65
CC(C)C[N@@H+](C)CCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012399464	1	56	0.0	-53.54	421.47	11.92	-41.62
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012399465	0	59	0.0	-74.83	433.52	9.25	-65.58
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012399465	1	59	0.0	-75.43	433.53	9.25	-66.18
CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012399466	0	56	0.0	-75.20	434.40	9.84	-65.36
CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012399466	1	56	0.0	-74.91	434.40	9.86	-65.05
CC(C)C[N@H+](C)CCCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012399467	0	56	0.0	-74.96	434.40	9.84	-65.12
CC(C)C[N@@H+](C)CCCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012399467	1	56	0.0	-75.24	434.40	9.84	-65.40
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012399468	0	57	0.0	-76.48	415.28	8.70	-67.78
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012399468	1	57	0.0	-75.87	413.65	8.71	-67.16
CC(C)C[N@H+](C)CCCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012399469	0	59	0.0	-74.04	433.10	9.35	-64.69
CC(C)C[N@@H+](C)CCCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012399469	1	59	0.0	-74.84	433.35	9.27	-65.57
CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012399470	0	59	0.0	-74.86	433.37	9.26	-65.60
CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012399470	1	59	0.0	-74.87	433.59	9.24	-65.63
CC(C)C[N@H+](C)CCCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012399471	0	57	0.0	-56.39	414.41	9.89	-46.50
CC(C)C[N@@H+](C)CCCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012399471	1	57	0.0	-55.98	413.62	9.94	-46.04
CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012399472	0	57	0.0	-83.00	412.98	9.75	-73.25
CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012399472	1	57	0.0	-82.59	409.23	9.75	-72.84
COC1=CC=C(CC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])C=C1	REAL300012399473	0	57	0.0	-75.05	440.86	8.37	-66.68
COC1=CC=C(CC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])C=C1	REAL300012399473	1	57	0.0	-75.32	440.87	8.38	-66.94
C=CCSCC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399474	0	51	0.0	-70.93	410.07	7.96	-62.97
C=CCSCC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399474	1	51	0.0	-71.47	410.74	7.93	-63.54
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012399475	0	54	0.0	-74.94	432.22	9.47	-65.47
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012399475	1	54	0.0	-74.55	432.15	9.52	-65.03
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012399476	0	57	0.0	-88.74	451.06	9.06	-79.68
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012399476	1	57	0.0	-89.16	451.06	9.05	-80.11
CCC(C(=O)[O-])N(CC)C(=O)NCCC[N@H+](C)CC(C)C	REAL300012399477	0	52	0.0	-76.26	379.00	9.51	-66.75
CCC(C(=O)[O-])N(CC)C(=O)NCCC[N@@H+](C)CC(C)C	REAL300012399477	1	52	0.0	-76.23	380.61	9.47	-66.76
COC1(C(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])CCC1	REAL300012399478	0	54	0.0	-71.14	400.70	5.69	-65.45
COC1(C(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])CCC1	REAL300012399478	1	54	0.0	-71.15	400.59	5.72	-65.43
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012399479	0	56	0.0	-78.65	415.12	9.08	-69.57
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012399479	1	56	0.0	-78.58	414.91	9.10	-69.48
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012399480	0	57	0.0	-77.89	420.47	10.20	-67.69
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012399480	1	57	0.0	-78.96	420.68	10.18	-68.78
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012399481	0	50	0.0	-82.24	386.14	7.58	-74.66
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012399481	1	50	0.0	-81.23	385.95	7.60	-73.63
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012399483	0	62	0.0	-74.91	465.14	10.53	-64.38
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012399483	1	62	0.0	-74.68	465.14	10.54	-64.14
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012399484	0	59	0.0	-74.80	449.14	10.15	-64.65
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012399484	1	59	0.0	-75.36	449.35	10.13	-65.23
CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012399485	0	47	0.0	-77.90	358.25	8.07	-69.83
CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012399485	1	47	0.0	-77.57	358.26	8.06	-69.51
CC(C)C[N@H+](C)CCCNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012399486	0	49	0.0	-56.43	367.84	8.79	-47.64
CC(C)C[N@@H+](C)CCCNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012399486	1	49	0.0	-55.72	368.04	8.77	-46.95
CC(C)C[N@H+](C)CCCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012399487	0	53	0.0	-81.94	387.90	8.62	-73.32
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012399487	1	53	0.0	-82.93	388.09	8.60	-74.33
CCOC1=CC=C(C(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-])C=C1	REAL300012399488	0	57	0.0	-75.17	440.50	8.35	-66.82
CCOC1=CC=C(C(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-])C=C1	REAL300012399488	1	57	0.0	-74.91	440.45	8.42	-66.49
CC(C)C[N@H+](C)CCCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012399489	0	57	0.0	-83.52	408.41	10.82	-72.70
CC(C)C[N@@H+](C)CCCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012399489	1	57	0.0	-83.55	408.35	10.64	-72.91
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012399490	0	57	0.0	-75.66	431.16	9.99	-65.67
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012399490	1	57	0.0	-74.81	429.04	10.56	-64.25
CC(C)C[N@H+](C)CCCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012399491	0	57	0.0	-79.80	431.58	9.17	-70.63
CC(C)C[N@@H+](C)CCCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012399491	1	57	0.0	-80.05	431.58	9.18	-70.87
CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012399492	0	53	0.0	-78.38	425.39	9.05	-69.33
CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012399492	1	53	0.0	-78.04	425.35	9.11	-68.93
CC(C)CCC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399493	0	55	0.0	-74.18	413.77	8.11	-66.07
CC(C)CCC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399493	1	55	0.0	-74.13	413.56	8.13	-66.00
CC(C)C[N@H+](C)CCCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012399494	0	54	0.0	-55.68	398.63	9.45	-46.23
CC(C)C[N@@H+](C)CCCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012399494	1	54	0.0	-56.21	398.63	9.46	-46.75
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012399495	0	54	0.0	-74.24	408.08	6.10	-68.14
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012399495	1	54	0.0	-73.70	407.64	6.18	-67.52
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[N@H+](C)CC(C)C)C1	REAL300012399496	0	51	0.0	-78.64	395.04	9.13	-69.51
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[N@@H+](C)CC(C)C)C1	REAL300012399496	1	51	0.0	-78.93	395.23	9.14	-69.79
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012399497	0	54	0.0	-77.43	391.27	8.63	-68.80
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012399497	1	54	0.0	-77.38	391.07	8.66	-68.72
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012399498	0	51	0.0	-80.19	375.69	7.98	-72.21
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012399498	1	51	0.0	-79.07	375.49	8.00	-71.07
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012399499	0	54	0.0	-77.28	396.75	8.39	-68.89
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012399499	1	54	0.0	-77.41	396.65	8.40	-69.01
CC(C)C[N@H+](C)CCCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012399500	0	56	0.0	-73.11	420.49	11.09	-62.02
CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012399500	1	56	0.0	-73.46	420.49	11.09	-62.37
CC(C)C[N@H+](C)CCCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012399501	0	60	0.0	-57.04	430.17	10.36	-46.68
CC(C)C[N@@H+](C)CCCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012399501	1	60	0.0	-56.53	427.90	10.42	-46.11
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012399502	0	53	0.0	-74.61	394.78	7.79	-66.82
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012399502	1	53	0.0	-74.70	389.53	7.59	-67.11
CO[C@H](C)[C@H](NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399503	0	50	0.0	-74.99	383.07	5.35	-69.64
CO[C@H](C)[C@H](NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399503	1	50	0.0	-75.98	383.19	5.28	-70.70
CC(C)C[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012399504	0	53	0.0	-60.22	409.92	10.88	-49.34
CC(C)C[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012399504	1	53	0.0	-59.83	409.92	10.88	-48.95
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012399505	0	60	0.0	-76.03	463.54	11.51	-64.52
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012399505	1	60	0.0	-75.90	463.34	11.54	-64.36
CC(C)C[N@H+](C)CCCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012399506	0	53	0.0	-55.82	391.61	8.77	-47.05
CC(C)C[N@@H+](C)CCCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012399506	1	53	0.0	-56.32	391.61	8.76	-47.56
CC(C)C[N@H+](C)CCCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012399507	0	54	0.0	-79.14	410.93	11.14	-68.00
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012399507	1	54	0.0	-58.62	415.63	10.66	-47.96
CC(C)C[N@H+](C)CCCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012399508	0	50	0.0	-81.18	373.77	9.13	-72.05
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012399508	1	50	0.0	-80.60	373.96	9.12	-71.48
CC(C)C[N@H+](C)CCCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012399509	0	47	0.0	-83.65	363.42	8.10	-75.55
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012399509	1	47	0.0	-83.79	363.62	8.09	-75.70
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012399510	0	53	0.0	-71.95	417.14	9.13	-62.82
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012399510	1	53	0.0	-71.88	417.78	9.14	-62.74
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012399511	0	50	0.0	-74.02	402.26	8.00	-66.02
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012399511	1	50	0.0	-74.01	402.00	8.05	-65.96
CC(C)C[N@H+](C)CCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012399512	0	50	0.0	-73.74	381.14	8.62	-65.12
CC(C)C[N@@H+](C)CCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012399512	1	50	0.0	-73.00	380.93	8.65	-64.35
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012399513	0	54	0.0	-78.66	416.38	8.79	-69.87
CC(C)C[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012399513	1	54	0.0	-79.17	416.38	8.79	-70.38
CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012399514	0	58	0.0	-79.77	440.21	10.42	-69.35
CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012399514	1	58	0.0	-78.86	439.71	10.45	-68.41
CC(C)C[N@H+](C)CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012399515	0	50	0.0	-74.02	402.26	8.00	-66.02
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012399515	1	50	0.0	-74.01	402.00	8.05	-65.96
CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012399516	0	54	0.0	-82.90	390.19	9.34	-73.56
CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012399516	1	54	0.0	-83.95	390.39	9.32	-74.63
COCCCC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399517	0	53	0.0	-73.58	408.38	5.88	-67.70
COCCCC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399517	1	53	0.0	-73.58	408.16	5.91	-67.67
CCCC(C(=O)[O-])N(C)C(=O)NCCC[N@H+](C)CC(C)C	REAL300012399518	0	52	0.0	-71.51	385.12	8.80	-62.71
CCCC(C(=O)[O-])N(C)C(=O)NCCC[N@@H+](C)CC(C)C	REAL300012399518	1	52	0.0	-71.22	384.88	8.98	-62.24
CCOCC(NC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300012399519	0	50	0.0	-75.42	386.43	5.25	-70.17
CCOCC(NC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300012399519	1	50	0.0	-75.44	386.22	5.27	-70.17
CC(C)C[N@H+](C)CCCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012399520	0	55	0.0	-74.51	403.84	8.46	-66.05
CC(C)C[N@@H+](C)CCCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012399520	1	55	0.0	-74.38	403.59	8.50	-65.88
CC(C)C[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012399521	0	54	0.0	-77.14	404.24	6.61	-70.53
CC(C)C[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012399521	1	54	0.0	-77.10	404.44	6.60	-70.50
CC(C)C[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012399522	0	54	0.0	-77.04	407.31	9.29	-67.75
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CCCCC[N@H+](CCNC(=O)N(CC)CC(=O)[O-])CC1=CC=CC=C1	REAL300012400804	0	56	0.0	-72.06	420.40	10.92	-61.14
CCCCC[N@@H+](CCNC(=O)N(CC)CC(=O)[O-])CC1=CC=CC=C1	REAL300012400804	1	56	0.0	-69.62	420.46	10.93	-58.69
CCCCC[N@H+](CCNC(=O)N[C@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400805	0	53	0.0	-64.53	400.64	8.09	-56.44
CCCCC[N@@H+](CCNC(=O)N[C@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400805	1	53	0.0	-63.68	400.70	8.09	-55.59
CCCCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300012400806	0	54	0.0	-74.38	406.86	9.31	-65.07
CCCCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300012400806	1	54	0.0	-75.63	406.54	9.29	-66.34
CCCCC[N@H+](CCNC(=O)N1CCOCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012400807	0	58	0.0	-76.09	423.77	9.73	-66.36
CCCCC[N@@H+](CCNC(=O)N1CCOCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012400807	1	58	0.0	-75.30	423.74	9.63	-65.67
CCCCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012400808	0	57	0.0	-69.27	429.40	9.59	-59.68
CCCCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012400808	1	57	0.0	-71.52	428.91	9.61	-61.91
CCCCC[N@H+](CCNC(=O)N(CCOC)CC(=O)[O-])CC1=CC=CC=C1	REAL300012400809	0	60	0.0	-58.26	463.75	10.75	-47.51
CCCCC[N@@H+](CCNC(=O)N(CCOC)CC(=O)[O-])CC1=CC=CC=C1	REAL300012400809	1	60	0.0	-61.74	451.83	10.10	-51.64
CCCCC[N@H+](CCNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400810	0	57	0.0	-77.73	421.87	10.71	-67.02
CCCCC[N@@H+](CCNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400810	1	57	0.0	-80.02	427.59	10.98	-69.04
CCCCC[N@H+](CCNC(=O)N1CCCC[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400811	0	60	0.0	-81.70	442.88	12.81	-68.89
CCCCC[N@@H+](CCNC(=O)N1CCCC[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400811	1	60	0.0	-76.51	432.22	12.04	-64.47
CCCCC[N@H+](CCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400812	0	56	0.0	-70.03	412.50	10.02	-60.01
CCCCC[N@@H+](CCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400812	1	56	0.0	-69.18	424.90	10.81	-58.37
CCCCC[N@H+](CCNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400813	0	57	0.0	-77.60	432.92	11.67	-65.93
CCCCC[N@@H+](CCNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400813	1	57	0.0	-77.19	420.96	11.01	-66.18
CCCCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC1)CC1=CC=CC=C1	REAL300012400814	0	57	0.0	-75.37	423.66	9.83	-65.54
CCCCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC1)CC1=CC=CC=C1	REAL300012400814	1	57	0.0	-77.84	429.14	10.10	-67.74
C=CCC(NC(=O)NCC[N@@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400815	0	57	0.0	-71.69	435.51	9.63	-62.06
C=CCC(NC(=O)NCC[N@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400815	1	57	0.0	-70.02	435.81	9.56	-60.46
CCCCC[N@H+](CCNC(=O)N1CCCC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400816	0	60	0.0	-74.83	438.31	11.57	-63.26
CCCCC[N@@H+](CCNC(=O)N1CCCC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400816	1	60	0.0	-78.17	443.84	11.85	-66.32
CCCCC[N@H+](CCNC(=O)N1CCCCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012400817	0	63	0.0	-76.80	445.64	12.69	-64.11
CCCCC[N@@H+](CCNC(=O)N1CCCCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012400817	1	63	0.0	-72.41	449.23	12.49	-59.92
CCCCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012400818	0	57	0.0	-69.27	429.40	9.59	-59.68
CCCCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012400818	1	57	0.0	-71.52	428.91	9.61	-61.91
CCCCC[N@H+](CCNC(=O)N(C)C(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400819	0	56	0.0	-69.71	424.38	10.76	-58.95
CCCCC[N@@H+](CCNC(=O)N(C)C(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400819	1	56	0.0	-69.44	412.62	10.17	-59.27
CCCCC[N@H+](CCNC(=O)NC(CCCC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400820	0	62	0.0	-74.08	477.19	11.37	-62.71
CCCCC[N@@H+](CCNC(=O)NC(CCCC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400820	1	62	0.0	-69.61	465.29	10.72	-58.89
CCCCC[N@H+](CCNC(=O)N1CCC[C@@]1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400821	0	60	0.0	-74.77	438.38	11.57	-63.20
CCCCC[N@@H+](CCNC(=O)N1CCC[C@@]1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400821	1	60	0.0	-77.10	438.11	11.54	-65.56
CCCCC[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300012400822	0	63	0.0	-58.02	460.52	12.89	-45.13
CCCCC[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300012400822	1	63	0.0	-56.72	468.17	13.11	-43.61
CCCCC[N@H+](CCNC(=O)NC(COC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400823	0	57	0.0	-75.81	446.15	8.05	-67.76
CCCCC[N@@H+](CCNC(=O)NC(COC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400823	1	57	0.0	-71.28	434.25	7.40	-63.88
CCCCCC(NC(=O)NCC[N@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400824	0	65	0.0	-70.10	487.03	11.43	-58.67
CCCCCC(NC(=O)NCC[N@@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400824	1	65	0.0	-72.36	486.97	11.43	-60.93
CCCCC[N@H+](CCNC(=O)N(C)C1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300012400825	0	63	0.0	-77.65	459.82	12.59	-65.06
CCCCC[N@@H+](CCNC(=O)N(C)C1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300012400825	1	63	0.0	-77.49	447.96	11.88	-65.61
CCCCC[N@H+](CCNC(=O)N(C(C)C(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012400826	0	60	0.0	-61.59	439.10	11.53	-50.06
CCCCC[N@@H+](CCNC(=O)N(C(C)C(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012400826	1	60	0.0	-63.71	438.89	11.50	-52.21
CCCCC[N@H+](CCNC(=O)N(C(CC)C(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012400827	0	63	0.0	-62.53	459.68	12.62	-49.91
CCCCC[N@@H+](CCNC(=O)N(C(CC)C(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012400827	1	63	0.0	-58.67	459.41	12.56	-46.11
CCCCC[N@H+](CCNC(=O)NC(C)(COC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400828	0	60	0.0	-77.83	456.81	9.42	-68.41
CCCCC[N@@H+](CCNC(=O)NC(C)(COC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400828	1	60	0.0	-73.17	444.91	8.77	-64.40
CCCCC[N@H+](CCNC(=O)N(C)C(COCC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400829	0	63	0.0	-70.73	464.86	10.42	-60.31
CCCCC[N@@H+](CCNC(=O)N(C)C(COCC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400829	1	63	0.0	-69.29	465.52	10.51	-58.78
CCCCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC(C)C)CC1=CC=CC=C1	REAL300012400830	0	62	0.0	-56.82	468.27	12.63	-44.19
CCCCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC(C)C)CC1=CC=CC=C1	REAL300012400830	1	62	0.0	-60.82	456.61	12.19	-48.63
CCCCC[N@H+](CCNC(=O)N(CC(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012400831	0	57	0.0	-57.84	423.82	11.46	-46.38
CCCCC[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012400831	1	57	0.0	-61.85	423.75	11.43	-50.42
CCCCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCOC1)CC1=CC=CC=C1	REAL300012400832	0	58	0.0	-68.97	428.12	7.61	-61.36
CCCCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCOC1)CC1=CC=CC=C1	REAL300012400832	1	58	0.0	-70.42	428.18	7.62	-62.80
CCCCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300012400833	0	61	0.0	-74.28	443.41	8.84	-65.44
CCCCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300012400833	1	61	0.0	-73.87	454.82	9.45	-64.42
C=CCCC(NC(=O)NCC[N@@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400834	0	60	0.0	-71.79	456.54	10.50	-61.29
C=CCCC(NC(=O)NCC[N@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400834	1	60	0.0	-73.26	462.08	10.77	-62.49
CCCCC[N@H+](CCNC(=O)NC(CF)C(=O)[O-])CC1=CC=CC=C1	REAL300012400835	0	53	0.0	-61.95	404.57	8.08	-53.87
CCCCC[N@@H+](CCNC(=O)NC(CF)C(=O)[O-])CC1=CC=CC=C1	REAL300012400835	1	53	0.0	-60.93	404.32	8.10	-52.83
CCCCC[N@H+](CCNC(=O)N(C)C(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400836	0	56	0.0	-69.71	424.38	10.76	-58.95
CCCCC[N@@H+](CCNC(=O)N(C)C(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400836	1	56	0.0	-69.44	412.62	10.17	-59.27
CCCCC[N@H+](CCNC(=O)NC(CC)(CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400837	0	62	0.0	-74.43	454.95	11.03	-63.40
CCCCC[N@@H+](CCNC(=O)NC(CC)(CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400837	1	62	0.0	-71.54	443.34	10.38	-61.16
CCCCC[N@H+](CCNC(=O)N(CC(=O)[O-])C(C)CC)CC1=CC=CC=C1	REAL300012400838	0	62	0.0	-56.14	451.12	12.25	-43.89
CCCCC[N@@H+](CCNC(=O)N(CC(=O)[O-])C(C)CC)CC1=CC=CC=C1	REAL300012400838	1	62	0.0	-60.10	451.18	12.25	-47.85
CCCCC[N@H+](CCNC(=O)NC(CC)(COC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400839	0	63	0.0	-76.57	461.30	9.68	-66.89
CCCCC[N@@H+](CCNC(=O)NC(CC)(COC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400839	1	63	0.0	-74.33	461.35	9.68	-64.65
CCCCC[N@H+](CCNC(=O)NC(CC1CC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012400840	0	60	0.0	-71.30	465.21	11.32	-59.98
CCCCC[N@@H+](CCNC(=O)NC(CC1CC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012400840	1	60	0.0	-69.59	454.10	10.58	-59.01
CCCCC[N@H+](CCNC(=O)NC(CCOC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400841	0	60	0.0	-72.49	455.90	8.23	-64.26
CCCCC[N@@H+](CCNC(=O)NC(CCOC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400841	1	60	0.0	-70.69	456.20	8.17	-62.52
CCCCC[N@H+](CCNC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400842	0	65	0.0	-69.67	471.30	12.48	-57.19
CCCCC[N@@H+](CCNC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400842	1	65	0.0	-69.02	472.89	12.60	-56.42
CCCCC[N@H+](CCNC(=O)NC(CC(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300012400843	0	56	0.0	-71.82	434.58	9.46	-62.36
CCCCC[N@@H+](CCNC(=O)NC(CC(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300012400843	1	56	0.0	-66.20	433.15	9.63	-56.57
CCCCC[N@H+](CCNC(=O)N(CCC)C(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400844	0	62	0.0	-60.55	451.34	11.64	-48.91
CCCCC[N@@H+](CCNC(=O)N(CCC)C(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400844	1	62	0.0	-68.98	455.37	12.38	-56.60
CCCCC[N@H+](CCNC(=O)NC(CCF)C(=O)[O-])CC1=CC=CC=C1	REAL300012400845	0	56	0.0	-73.84	441.02	9.91	-63.93
CCCCC[N@@H+](CCNC(=O)NC(CCF)C(=O)[O-])CC1=CC=CC=C1	REAL300012400845	1	56	0.0	-72.74	434.36	9.58	-63.16
CCCCC[N@H+](CCNC(=O)NC(C)(CCF)C(=O)[O-])CC1=CC=CC=C1	REAL300012400846	0	59	0.0	-68.15	433.20	9.62	-58.53
CCCCC[N@@H+](CCNC(=O)NC(C)(CCF)C(=O)[O-])CC1=CC=CC=C1	REAL300012400846	1	59	0.0	-70.09	438.74	9.89	-60.20
CCCCC[N@H+](CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400847	0	57	0.0	-71.71	435.03	10.89	-60.82
CCCCC[N@@H+](CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400847	1	57	0.0	-71.02	436.10	10.74	-60.28
CCCCC[N@H+](CCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400848	0	56	0.0	-67.46	413.56	10.17	-57.29
CCCCC[N@@H+](CCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400848	1	56	0.0	-69.44	412.62	10.17	-59.27
CCCCC[N@H+](CCNC(=O)N1CC2CC1(C(=O)[O-])C2)CC1=CC=CC=C1	REAL300012400849	0	58	0.0	-81.07	428.95	11.68	-69.39
CCCCC[N@@H+](CCNC(=O)N1CC2CC1(C(=O)[O-])C2)CC1=CC=CC=C1	REAL300012400849	1	58	0.0	-79.97	428.01	11.71	-68.26
CCCCC[N@H+](CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1=CC=CC=C1	REAL300012400850	0	62	0.0	-71.37	453.26	10.22	-61.15
CCCCC[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1=CC=CC=C1	REAL300012400850	1	62	0.0	-73.96	458.80	10.49	-63.47
C=C(Cl)CC(NC(=O)NCC[N@@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400851	0	57	0.0	-68.00	450.70	10.29	-57.71
C=C(Cl)CC(NC(=O)NCC[N@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400851	1	57	0.0	-69.77	456.48	10.50	-59.27
C=C(C)CC(NC(=O)NCC[N@@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400852	0	60	0.0	-72.54	455.37	10.48	-62.06
C=C(C)CC(NC(=O)NCC[N@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400852	1	60	0.0	-70.72	453.29	10.57	-60.15
CCCCC[N@H+](CCNC(=O)N1C2CCC1(C(=O)[O-])CC2)CC1=CC=CC=C1	REAL300012400853	0	61	0.0	-82.97	443.78	12.49	-70.48
CCCCC[N@@H+](CCNC(=O)N1C2CCC1(C(=O)[O-])CC2)CC1=CC=CC=C1	REAL300012400853	1	61	0.0	-86.92	446.74	12.68	-74.24
CCCCC[N@H+](CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400854	0	57	0.0	-70.19	435.08	10.87	-59.32
CCCCC[N@@H+](CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400854	1	57	0.0	-71.92	446.40	11.50	-60.42
CCCCC[N@H+](CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400855	0	57	0.0	-73.23	427.79	11.11	-62.12
CCCCC[N@@H+](CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400855	1	57	0.0	-75.46	427.61	11.11	-64.35
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+](CCCCC)CC2=CC=CC=C2)C1	REAL300012400856	0	58	0.0	-75.43	435.47	11.09	-64.34
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+](CCCCC)CC2=CC=CC=C2)C1	REAL300012400856	1	58	0.0	-77.49	435.16	11.06	-66.43
CCCCC[N@H+](CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400857	0	62	0.0	-71.94	472.32	11.10	-60.84
CCCCC[N@@H+](CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400857	1	62	0.0	-71.86	460.23	10.43	-61.43
CCCCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012400858	0	60	0.0	-71.57	458.60	11.18	-60.39
CCCCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012400858	1	60	0.0	-74.01	464.14	11.45	-62.56
CCCCC[N@H+](CCNC(=O)NC(CC1CC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012400859	0	60	0.0	-71.30	465.21	11.32	-59.98
CCCCC[N@@H+](CCNC(=O)NC(CC1CC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012400859	1	60	0.0	-69.59	454.10	10.58	-59.01
CCCCC[N@H+](CCNC(=O)NC(CSC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400860	0	57	0.0	-69.78	446.17	9.45	-60.33
CCCCC[N@@H+](CCNC(=O)NC(CSC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400860	1	57	0.0	-67.30	445.99	9.53	-57.77
CCCCC[N@H+](CCNC(=O)N[C@@H](COC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400861	0	57	0.0	-71.77	434.33	7.35	-64.42
CCCCC[N@@H+](CCNC(=O)N[C@@H](COC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400861	1	57	0.0	-73.29	433.90	7.34	-65.95
CCCCC[N@H+](CCNC(=O)N[C@@H](CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400862	0	56	0.0	-70.35	422.47	9.12	-61.23
CCCCC[N@@H+](CCNC(=O)N[C@@H](CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400862	1	56	0.0	-72.15	427.18	9.39	-62.76
CCCCC[N@H+](CCNC(=O)NC(CC(C)CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400863	0	65	0.0	-75.25	491.01	11.70	-63.55
CCCCC[N@@H+](CCNC(=O)NC(CC(C)CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400863	1	65	0.0	-70.25	478.80	11.16	-59.09
C=CCCCC(NC(=O)NCC[N@@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400864	0	63	0.0	-72.04	478.04	11.28	-60.76
C=CCCCC(NC(=O)NCC[N@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400864	1	63	0.0	-69.71	478.10	11.28	-58.43
CCCCC[N@H+](CCNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012400865	0	58	0.0	-76.17	432.49	12.15	-64.02
CCCCC[N@@H+](CCNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012400865	1	58	0.0	-75.75	432.13	12.03	-63.72
CCCCC[N@H+](CCNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400866	0	57	0.0	-77.73	421.87	10.71	-67.02
CCCCC[N@@H+](CCNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400866	1	57	0.0	-80.02	427.59	10.98	-69.04
CCCCC[N@H+](CCNC(=O)NC(CCC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400867	0	59	0.0	-71.98	443.73	9.94	-62.04
CCCCC[N@@H+](CCNC(=O)NC(CCC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400867	1	59	0.0	-70.23	444.03	9.87	-60.36
CCCCC[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300012400868	0	59	0.0	-72.74	434.64	9.44	-63.30
CCCCC[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300012400868	1	59	0.0	-69.31	437.65	9.72	-59.59
CCCCC[N@H+](CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])CC1=CC=CC=C1	REAL300012400869	0	61	0.0	-81.06	442.87	12.58	-68.48
CCCCC[N@@H+](CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])CC1=CC=CC=C1	REAL300012400869	1	61	0.0	-81.33	443.05	12.57	-68.76
CCCCC[N@H+](CCNC(=O)N(CC)C(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400870	0	62	0.0	-73.82	447.02	11.85	-61.97
CCCCC[N@@H+](CCNC(=O)N(CC)C(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400870	1	62	0.0	-71.65	447.09	11.87	-59.78
CCCCC[N@H+](CCNC(=O)N(CCC)C(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400871	0	62	0.0	-60.55	451.34	11.64	-48.91
CCCCC[N@@H+](CCNC(=O)N(CCC)C(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400871	1	62	0.0	-68.98	455.37	12.38	-56.60
CCCCC[N@H+](CCNC(=O)N(C)C(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400872	0	59	0.0	-73.96	427.55	11.02	-62.94
CCCCC[N@@H+](CCNC(=O)N(C)C(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400872	1	59	0.0	-72.03	427.60	11.03	-61.00
CCCCC[N@H+](CCNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400873	0	57	0.0	-77.60	432.92	11.67	-65.93
CCCCC[N@@H+](CCNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400873	1	57	0.0	-77.19	420.96	11.01	-66.18
CCCCC[N@H+](CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400874	0	58	0.0	-82.85	445.24	7.97	-74.88
CCCCC[N@@H+](CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400874	1	58	0.0	-77.65	433.30	7.33	-70.32
CCCCC[N@H+](CCNC(=O)N[C@H](CCC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400875	0	59	0.0	-71.98	443.73	9.94	-62.04
CCCCC[N@@H+](CCNC(=O)N[C@H](CCC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400875	1	59	0.0	-70.23	444.03	9.87	-60.36
CCCCC[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012400876	0	60	0.0	-75.53	470.61	11.84	-63.69
CCCCC[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012400876	1	60	0.0	-70.86	458.47	11.26	-59.60
C=CCCC(NC(=O)NCC[N@@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400877	0	60	0.0	-71.79	456.54	10.50	-61.29
C=CCCC(NC(=O)NCC[N@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400877	1	60	0.0	-73.26	462.08	10.77	-62.49
CCCCC[N@H+](CCNC(=O)N1CCC[C@]1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400878	0	60	0.0	-77.18	438.38	11.57	-65.61
CCCCC[N@@H+](CCNC(=O)N1CCC[C@]1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400878	1	60	0.0	-74.97	438.20	11.57	-63.40
CCCCC[N@H+](CCNC(=O)N[C@H](C(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300012400879	0	59	0.0	-70.73	439.51	9.69	-61.04
CCCCC[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300012400879	1	59	0.0	-70.68	436.71	9.65	-61.03
CCCCC[N@H+](CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012400880	0	60	0.0	-71.60	458.66	11.19	-60.41
CCCCC[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012400880	1	60	0.0	-74.02	464.14	11.45	-62.57
CCCCC[N@H+](CCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400881	0	56	0.0	-67.46	413.56	10.17	-57.29
CCCCC[N@@H+](CCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400881	1	56	0.0	-69.44	412.62	10.17	-59.27
CCCCC[N@H+](CCNC(=O)N[C@@H](CCC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400882	0	59	0.0	-69.51	443.14	9.88	-59.63
CCCCC[N@@H+](CCNC(=O)N[C@@H](CCC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400882	1	59	0.0	-72.10	448.68	10.15	-61.95
CCCCC[N@H+](CCNC(=O)N(CC)C(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400883	0	59	0.0	-71.47	441.63	11.50	-59.97
CCCCC[N@@H+](CCNC(=O)N(CC)C(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400883	1	59	0.0	-70.16	433.84	11.66	-58.50
CCCCC[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300012400884	0	63	0.0	-58.02	460.52	12.89	-45.13
CCCCC[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300012400884	1	63	0.0	-56.72	468.17	13.11	-43.61
CCCCC[N@H+](CCNC(=O)N(C)CC(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400885	0	59	0.0	-73.74	433.70	10.60	-63.14
CCCCC[N@@H+](CCNC(=O)N(C)CC(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400885	1	59	0.0	-73.14	432.88	10.57	-62.57
CCCCC[N@H+](CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1=CC=CC=C1	REAL300012400886	0	62	0.0	-69.70	452.05	10.04	-59.66
CCCCC[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1=CC=CC=C1	REAL300012400886	1	62	0.0	-72.98	453.77	10.07	-62.91
CCCCC[N@H+](CCNC(=O)N(C)[C@@H](CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400887	0	59	0.0	-68.80	432.89	11.10	-57.70
CCCCC[N@@H+](CCNC(=O)N(C)[C@@H](CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400887	1	59	0.0	-70.00	432.92	11.25	-58.75
CCCCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(CO)C1)CC1=CC=CC=C1	REAL300012400888	0	61	0.0	-75.28	455.86	7.10	-68.18
CCCCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(CO)C1)CC1=CC=CC=C1	REAL300012400888	1	61	0.0	-73.78	455.61	7.09	-66.69
CCCCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC(C)C1)CC1=CC=CC=C1	REAL300012400889	0	63	0.0	-74.78	458.60	10.85	-63.93
CCCCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC(C)C1)CC1=CC=CC=C1	REAL300012400889	1	63	0.0	-72.75	458.60	10.85	-61.90
CCCCC[N@H+](CCNC(=O)NC(CCOC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400890	0	60	0.0	-72.49	455.90	8.23	-64.26
CCCCC[N@@H+](CCNC(=O)NC(CCOC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400890	1	60	0.0	-70.69	456.20	8.17	-62.52
CCCCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)CC1=CC=CC=C1	REAL300012400891	0	63	0.0	-78.76	471.98	12.19	-66.57
CCCCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)CC1=CC=CC=C1	REAL300012400891	1	63	0.0	-74.03	460.09	11.53	-62.50
CCCCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1(C)CC1)CC1=CC=CC=C1	REAL300012400892	0	60	0.0	-74.92	446.07	10.47	-64.45
CCCCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1(C)CC1)CC1=CC=CC=C1	REAL300012400892	1	60	0.0	-71.53	443.99	10.45	-61.08
CCCCC[N@H+](CCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400893	0	58	0.0	-83.49	431.98	7.51	-75.98
CCCCC[N@@H+](CCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400893	1	58	0.0	-81.18	431.67	7.49	-73.69
CCCCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCOC1)CC1=CC=CC=C1	REAL300012400894	0	61	0.0	-69.04	454.70	8.16	-60.88
CCCCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCOC1)CC1=CC=CC=C1	REAL300012400894	1	61	0.0	-70.57	449.00	8.13	-62.44
CCCCC[N@H+](CCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])CC1=CC=CC=C1	REAL300012400895	0	61	0.0	-79.03	442.99	12.17	-66.86
CCCCC[N@@H+](CCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])CC1=CC=CC=C1	REAL300012400895	1	61	0.0	-80.68	442.68	12.16	-68.52
CCCCC[N@H+](CCNC(=O)N1CC2CC1(C(=O)[O-])CO2)CC1=CC=CC=C1	REAL300012400896	0	59	0.0	-76.73	435.36	9.90	-66.83
CCCCC[N@@H+](CCNC(=O)N1CC2CC1(C(=O)[O-])CO2)CC1=CC=CC=C1	REAL300012400896	1	59	0.0	-76.68	435.42	9.91	-66.77
CCCCC[N@H+](CCNC(=O)N1CC(C)CCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012400897	0	63	0.0	-78.24	453.38	12.90	-65.34
CCCCC[N@@H+](CCNC(=O)N1CC(C)CCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012400897	1	63	0.0	-82.19	457.64	13.15	-69.04
CCCCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCC1)CC1=CC=CC=C1	REAL300012400898	0	60	0.0	-72.63	441.89	10.05	-62.58
CCCCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCC1)CC1=CC=CC=C1	REAL300012400898	1	60	0.0	-71.12	442.61	9.99	-61.13
CCCCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCC1)CC1=CC=CC=C1	REAL300012400899	0	60	0.0	-72.63	441.89	10.05	-62.58
CCCCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCC1)CC1=CC=CC=C1	REAL300012400899	1	60	0.0	-71.12	442.61	9.99	-61.13
CCCCC[N@H+](CCNC(=O)N1CCC(C)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012400900	0	60	0.0	-76.36	442.64	11.33	-65.03
CCCCC[N@@H+](CCNC(=O)N1CCC(C)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012400900	1	60	0.0	-80.42	442.95	11.45	-68.97
C=CCC(NC(=O)NCC[N@@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400901	0	57	0.0	-71.69	435.51	9.63	-62.06
C=CCC(NC(=O)NCC[N@H+](CCCCC)CC1=CC=CC=C1)C(=O)[O-]	REAL300012400901	1	57	0.0	-70.02	435.81	9.56	-60.46
CCCCC[N@H+](CCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400902	0	61	0.0	-56.94	444.27	12.04	-44.90
CCCCC[N@@H+](CCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400902	1	61	0.0	-52.15	455.46	12.66	-39.49
CCCCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(OC)C1)CC1=CC=CC=C1	REAL300012400903	0	61	0.0	-80.66	469.02	9.44	-71.22
CCCCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(OC)C1)CC1=CC=CC=C1	REAL300012400903	1	61	0.0	-79.02	468.47	9.41	-69.61
CCCCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)CC1=CC=CC=C1	REAL300012400904	0	57	0.0	-73.90	432.09	9.85	-64.05
CCCCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)CC1=CC=CC=C1	REAL300012400904	1	57	0.0	-76.58	437.57	10.12	-66.46
CCCCC[N@H+](CCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)CC1=CC=CC=C1	REAL300012400905	0	61	0.0	-71.05	455.63	9.08	-61.97
CCCCC[N@@H+](CCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)CC1=CC=CC=C1	REAL300012400905	1	61	0.0	-72.32	455.55	9.08	-63.24
CCCCC[N@H+](CCNC(=O)N1CCCC1(CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400906	0	63	0.0	-77.42	451.72	12.25	-65.17
CCCCC[N@@H+](CCNC(=O)N1CCCC1(CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400906	1	63	0.0	-75.05	451.79	12.28	-62.77
CCCCC[N@H+](CCNC(=O)NC1(C(=O)[O-])COC1)CC1=CC=CC=C1	REAL300012400907	0	55	0.0	-72.25	426.41	7.50	-64.75
CCCCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])COC1)CC1=CC=CC=C1	REAL300012400907	1	55	0.0	-69.79	414.32	6.82	-62.97
CCCCC[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300012400908	0	62	0.0	-69.77	443.35	10.17	-59.60
CCCCC[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300012400908	1	62	0.0	-72.31	447.07	10.37	-61.94
CCCCC[N@H+](CCNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400909	0	58	0.0	-79.76	428.10	12.10	-67.66
CCCCC[N@@H+](CCNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400909	1	58	0.0	-78.11	427.18	12.14	-65.97
CCCCC[N@H+](CCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400910	0	61	0.0	-81.87	456.45	12.41	-69.46
CCCCC[N@@H+](CCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400910	1	61	0.0	-76.88	444.21	11.76	-65.12
CCCCC[N@H+](CCNC(=O)N(CC)C(CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400911	0	62	0.0	-72.25	458.62	12.46	-59.79
CCCCC[N@@H+](CCNC(=O)N(CC)C(CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400911	1	62	0.0	-68.35	446.73	11.81	-56.54
CCCCC[N@H+](CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400912	0	57	0.0	-73.23	427.79	11.11	-62.12
CCCCC[N@@H+](CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400912	1	57	0.0	-75.46	427.61	11.11	-64.35
CCCCC[N@H+](CCNC(=O)N1C2C=CC(C2)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012400913	0	59	0.0	-52.47	437.38	11.84	-40.63
CCCCC[N@@H+](CCNC(=O)N1C2C=CC(C2)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012400913	1	59	0.0	-56.65	437.38	11.84	-44.81
CCCCC[N@H+](CCNC(=O)N1CCC(C)(C)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012400914	0	63	0.0	-75.86	453.61	11.98	-63.88
CCCCC[N@@H+](CCNC(=O)N1CCC(C)(C)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012400914	1	63	0.0	-77.62	453.62	11.97	-65.65
CCCCC[N@H+](CCNC(=O)NC(CCC(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400915	0	65	0.0	-72.64	483.04	11.17	-61.47
CCCCC[N@@H+](CCNC(=O)NC(CCC(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400915	1	65	0.0	-73.58	488.33	11.50	-62.08
CCCCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC2CC21)CC1=CC=CC=C1	REAL300012400916	0	61	0.0	-74.34	444.97	11.05	-63.29
CCCCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC2CC21)CC1=CC=CC=C1	REAL300012400916	1	61	0.0	-76.32	445.02	11.05	-65.27
CCCCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300012400917	0	63	0.0	-75.86	470.66	11.28	-64.58
CCCCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300012400917	1	63	0.0	-70.49	458.64	10.69	-59.80
CCCCC[N@H+](CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1=CC=CC=C1	REAL300012400918	0	60	0.0	-71.05	452.40	8.41	-62.64
CCCCC[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1=CC=CC=C1	REAL300012400918	1	60	0.0	-72.91	452.05	8.35	-64.56
CCCCC[N@H+](CCNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)CC1=CC=CC=C1	REAL300012400919	0	60	0.0	-76.74	445.37	10.85	-65.89
CCCCC[N@@H+](CCNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)CC1=CC=CC=C1	REAL300012400919	1	60	0.0	-75.32	445.55	10.85	-64.47
CCCCC[N@H+](CCNC(=O)N1CC(C)(C)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300012400920	0	63	0.0	-53.22	463.52	11.76	-41.46
CCCCC[N@@H+](CCNC(=O)N1CC(C)(C)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300012400920	1	63	0.0	-52.08	472.46	12.44	-39.64
CCCCC[N@H+](CCNC(=O)N1CCC(F)(F)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012400921	0	57	0.0	-78.97	432.90	11.16	-67.81
CCCCC[N@@H+](CCNC(=O)N1CCC(F)(F)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012400921	1	57	0.0	-80.83	432.96	11.16	-69.67
CCCCC[N@H+](CCNC(=O)NC(CCCOC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400922	0	63	0.0	-73.83	489.60	9.60	-64.23
CCCCC[N@@H+](CCNC(=O)NC(CCCOC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400922	1	63	0.0	-69.19	477.46	9.01	-60.18
CCCCC[N@H+](CCNC(=O)N(C)C(CCC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400923	0	62	0.0	-69.65	454.94	11.91	-57.74
CCCCC[N@@H+](CCNC(=O)N(C)C(CCC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400923	1	62	0.0	-67.94	455.50	12.02	-55.92
CCCCC[N@H+](CCNC(=O)NC(COCC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400924	0	60	0.0	-74.44	456.18	8.32	-66.12
CCCCC[N@@H+](CCNC(=O)NC(COCC)C(=O)[O-])CC1=CC=CC=C1	REAL300012400924	1	60	0.0	-71.96	456.24	8.32	-63.64
CCCCC[N@H+](CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400925	0	65	0.0	-72.90	485.02	12.18	-60.72
CCCCC[N@@H+](CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400925	1	65	0.0	-72.82	476.08	11.76	-61.06
CCCCC[N@H+](CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400926	0	61	0.0	-77.21	444.42	10.65	-66.56
CCCCC[N@@H+](CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012400926	1	61	0.0	-77.47	444.03	10.61	-66.86
CCCCC[N@H+](CCNC(=O)NC(CCC#N)C(=O)[O-])CC1=CC=CC=C1	REAL300012400927	0	57	0.0	-74.51	443.32	9.61	-64.90
CCCCC[N@@H+](CCNC(=O)NC(CCC#N)C(=O)[O-])CC1=CC=CC=C1	REAL300012400927	1	57	0.0	-71.79	443.15	9.67	-62.12
CCCCC[N@H+](CCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400928	0	56	0.0	-70.03	412.50	10.02	-60.01
CCCCC[N@@H+](CCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012400928	1	56	0.0	-69.18	424.90	10.81	-58.37
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOC(C)(C)C)CC1	REAL300012401052	0	59	0.0	-59.35	437.39	6.10	-53.25
C=CCCSCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012401522	0	54	0.0	-58.31	426.57	7.63	-50.68
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3(CCCC3)CC2)CC1	REAL300012401795	0	63	0.0	-62.59	451.47	9.26	-53.33
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CCC3=CC=CC=C32)CC1	REAL300012402047	0	54	0.0	-66.83	411.96	8.50	-58.33
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2CC2(F)F)CC1	REAL300012402871	0	51	0.0	-64.17	405.29	5.21	-58.96
CO[C@@H](C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012403039	0	50	0.0	-64.76	385.14	4.20	-60.56
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC(C)(C)F)CC1	REAL300012403451	0	52	0.0	-60.74	391.59	6.23	-54.51
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCO2)CC1	REAL300012403601	0	51	0.0	-60.03	383.11	4.46	-55.57
COC1=CC(C)=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012403840	0	60	0.0	-64.47	463.60	8.13	-56.34
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C2=CC=CC=C2)CC1	REAL300012404130	0	59	0.0	-58.87	435.65	9.01	-49.86
COC1=CC=CC(OC)=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012404437	0	58	0.0	-68.98	447.50	6.13	-62.85
CCC(C)CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012404640	0	55	0.0	-58.29	404.85	6.87	-51.42
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C3OC=CC3=C2)CC1	REAL300012404861	0	53	0.0	-66.25	418.57	7.74	-58.51
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC(C)(C)CC(C)(C)C2)CC1	REAL300012405167	0	68	0.0	-61.49	484.39	9.73	-51.76
C[C@H]1C2=CC=CC=C2C[C@H]1NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012405697	0	57	0.0	-62.26	430.86	9.61	-52.65
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC(F)F)CC1	REAL300012405909	0	47	0.0	-60.10	371.26	3.60	-56.50
CO[C@H](C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012406039	0	50	0.0	-61.69	384.84	4.27	-57.42
CCN1C=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N=N1	REAL300012406191	0	52	0.0	-65.07	409.40	4.76	-60.31
C[C@H]1CC[C@@](C)(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1(C)C	REAL300012406653	0	65	0.0	-62.98	455.67	8.89	-54.09
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23OCCCC2C3(F)F)CC1	REAL300012406957	0	55	0.0	-64.76	420.57	6.23	-58.53
CC1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1C	REAL300012407248	0	59	0.0	-59.94	445.89	9.15	-50.79
CC1CC(C)CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012407505	0	62	0.0	-62.79	454.94	9.02	-53.77
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=NC3=CC=CC=C23)CC1	REAL300012407807	0	58	0.0	-65.37	450.62	8.44	-56.93
CSCC1(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012408092	0	57	0.0	-64.33	446.72	8.32	-56.01
CSCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012409265	0	47	0.0	-58.61	370.79	5.39	-53.22
CN(CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])S(C)(=O)=O	REAL300012409492	0	57	0.0	-64.50	443.41	2.92	-61.58
COC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCOC1	REAL300012409781	0	58	0.0	-60.96	428.29	4.20	-56.76
COCC(CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])OC	REAL300012410634	0	57	0.0	-59.58	430.25	3.84	-55.74
C=CCCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCCC1	REAL300012411134	0	63	0.0	-64.27	463.01	9.61	-54.66
CC1=CC=C2OC(CNC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])=CC2=C1	REAL300012411439	0	56	0.0	-67.28	440.46	8.59	-58.69
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=COC=C2)CC1	REAL300012411655	0	50	0.0	-60.16	388.21	5.90	-54.26
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC3CC32)CC1	REAL300012412712	0	57	0.0	-58.01	415.51	8.17	-49.84
C=CCOCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012412906	0	54	0.0	-59.50	415.99	5.54	-53.96
COC1=CC=CC=C1[C@@H]1C[C@H]1NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012413173	0	58	0.0	-64.60	447.18	8.18	-56.42
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@H]2C2=CC=CC=C2Cl)CC1	REAL300012413484	0	54	0.0	-62.82	433.04	9.25	-53.57
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC=CC2)CC1	REAL300012413682	0	51	0.0	-61.63	388.73	6.96	-54.67
COCC1=CSC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012414152	0	54	0.0	-63.99	436.70	6.23	-57.76
CC1=CN=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012414713	0	54	0.0	-63.17	418.88	4.85	-58.32
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@]23OCCC[C@H]2C3(F)F)CC1	REAL300012415117	0	55	0.0	-64.78	420.54	6.28	-58.50
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3(CC3(F)F)CC2)CC1	REAL300012415734	0	57	0.0	-63.72	427.20	8.77	-54.95
CN1N=CC(C2CC2)=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012416025	0	57	0.0	-63.11	441.89	7.05	-56.06
CC1CCCC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])O1	REAL300012416270	0	57	0.0	-62.60	420.67	5.98	-56.62
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CC2(F)F)CC1	REAL300012416481	0	50	0.0	-67.30	395.89	6.64	-60.66
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2CCC2)CC1	REAL300012416663	0	56	0.0	-58.27	417.29	7.79	-50.48
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2(C)CC2(F)F)CC1	REAL300012416872	0	53	0.0	-58.78	407.95	6.99	-51.79
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2COC3=CC(F)=CC=C3C2)CC1	REAL300012417458	0	55	0.0	-61.26	429.04	7.46	-53.80
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CCCC2)CC1	REAL300012417688	0	51	0.0	-58.52	385.06	6.83	-51.69
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC(C3CCC3)CC2)CC1	REAL300012417905	0	63	0.0	-64.53	456.71	10.13	-54.40
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CC3=CC=CC=C3CO2)CC1	REAL300012418210	0	58	0.0	-66.11	444.61	7.62	-58.49
COC1=CC=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1C	REAL300012418908	0	57	0.0	-63.79	436.65	7.29	-56.50
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCOC2(C)C)CC1	REAL300012419618	0	57	0.0	-63.19	422.39	5.67	-57.52
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2C3CC4=CC(F)=CC=C4C32)CC1	REAL300012419904	0	55	0.0	-59.77	421.89	9.43	-50.34
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3CC3C2)CC1	REAL300012420524	0	54	0.0	-62.38	401.15	7.73	-54.65
CC(C)OC1CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012420775	0	63	0.0	-67.86	460.21	8.12	-59.74
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC23CCCC3)CC1	REAL300012421014	0	57	0.0	-59.95	413.28	8.34	-51.61
COC1=CC=C(F)C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012421274	0	54	0.0	-67.13	426.35	6.71	-60.42
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CC2(F)F)CC1	REAL300012421503	0	50	0.0	-61.85	391.21	6.64	-55.21
CCCCCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012421693	0	58	0.0	-58.26	433.55	8.05	-50.21
CCN1N=NC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012421888	0	52	0.0	-66.35	407.23	4.64	-61.71
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCCC2(C)C)CC1	REAL300012422116	0	62	0.0	-62.21	450.90	8.68	-53.53
CC1=CC=CC2=C1CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])CO2	REAL300012422413	0	58	0.0	-63.15	439.79	7.91	-55.24
CC(C)CC1=CC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012422724	0	62	0.0	-63.26	466.09	10.11	-53.15
CC1=CC(C)=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012423285	0	56	0.0	-63.26	434.00	8.74	-54.52
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3CC3C2)CC1	REAL300012423799	0	57	0.0	-62.49	420.82	8.48	-54.01
CCSC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012424271	0	54	0.0	-64.76	425.49	7.84	-56.92
CC1CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012424453	0	53	0.0	-61.74	400.50	7.10	-54.64
CCN1N=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012424619	0	52	0.0	-64.04	409.86	4.46	-59.58
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)CC(F)(F)F)CC1	REAL300012425157	0	55	0.0	-58.84	411.62	7.28	-51.56
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2C(C)(C)C2(F)F)CC1	REAL300012425409	0	53	0.0	-61.70	411.82	7.13	-54.57
C=CC(C)(C)CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012425615	0	56	0.0	-58.16	411.45	7.00	-51.16
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C2CCC2)C2CCC2)CC1	REAL300012425857	0	63	0.0	-62.88	457.71	10.08	-52.80
C=CCOCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012426057	0	51	0.0	-62.55	394.42	4.80	-57.75
COC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCC1	REAL300012426861	0	60	0.0	-59.93	437.00	6.74	-53.19
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=C3C=COC3=CC=C2)CC1	REAL300012427142	0	53	0.0	-66.39	418.42	7.74	-58.65
CC1=CC=CC2=C1CCCC2NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012427449	0	60	0.0	-62.93	441.09	9.23	-53.70
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=NS2)CC1	REAL300012428712	0	46	0.0	-61.37	375.98	5.23	-56.14
CCCC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])OCC	REAL300012428918	0	59	0.0	-60.40	442.01	6.61	-53.79
CC1=CC=CC=C1C(F)(F)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012429215	0	56	0.0	-65.21	435.77	8.67	-56.54
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2=CC=CO2)CC1	REAL300012429749	0	53	0.0	-60.43	409.72	6.84	-53.59
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCCC1	REAL300012429977	0	62	0.0	-58.10	442.91	8.69	-49.41
COC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCCC1	REAL300012430831	0	63	0.0	-65.02	460.35	7.29	-57.73
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOCCF)CC1	REAL300012431535	0	50	0.0	-63.91	388.09	4.37	-59.54
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3(CC3)CC2)CC1	REAL300012432209	0	60	0.0	-58.02	439.50	8.89	-49.13
CC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])O1	REAL300012432606	0	50	0.0	-65.38	393.85	6.36	-59.02
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC3=C2CCOC3)CC1	REAL300012432865	0	58	0.0	-64.50	441.02	7.31	-57.19
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCCS2)CC1	REAL300012433121	0	54	0.0	-66.71	417.85	7.57	-59.14
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C3CCCCO3)CCC2)CC1	REAL300012433682	0	64	0.0	-65.49	465.05	8.46	-57.03
CC1=CC=CC=C1[C@@H](C)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012433936	0	56	0.0	-63.86	423.01	8.76	-55.10
CC(C)OCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012434133	0	53	0.0	-61.83	401.79	4.97	-56.86
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C(F)(F)F)CCCC2)CC1	REAL300012434622	0	56	0.0	-61.85	426.53	8.31	-53.54
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3=CC=C(Cl)C=C32)CC1	REAL300012434930	0	54	0.0	-58.71	424.48	8.77	-49.94
CO[C@H]1C[C@@H](CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012436478	0	54	0.0	-62.71	412.97	5.43	-57.28
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC23CC3)CC1	REAL300012436673	0	57	0.0	-62.05	424.74	8.26	-53.79
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CN=CN=C2)CC1	REAL300012436881	0	51	0.0	-60.44	397.10	5.96	-54.48
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2COC(C3CC3)C2)CC1	REAL300012437091	0	55	0.0	-61.09	418.93	6.27	-54.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C2CCCCO2)CC1	REAL300012437362	0	63	0.0	-62.12	454.58	7.56	-54.56
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC(OC(C)(C)C)CC2)CC1	REAL300012438415	0	66	0.0	-68.05	477.10	8.61	-59.44
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CC3CC3C2)CC1	REAL300012438649	0	57	0.0	-61.54	423.16	8.45	-53.09
COC1=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=N1	REAL300012438907	0	56	0.0	-61.87	434.56	4.66	-57.21
C=CCCC(C)(C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012439818	0	59	0.0	-58.16	431.98	8.22	-49.94
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3=CC=CC=C32)CC1	REAL300012440044	0	54	0.0	-59.58	407.75	8.25	-51.33
CCC(C)(C)CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012440256	0	58	0.0	-58.26	417.01	7.09	-51.17
CC1=NC=C(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300012440473	0	52	0.0	-63.20	416.93	6.19	-57.01
CC1=C(C)C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CS1	REAL300012440917	0	53	0.0	-63.08	420.12	7.77	-55.31
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CC2(C)C3)CC1	REAL300012441104	0	51	0.0	-62.94	394.90	7.36	-55.58
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2CCC3=CC(Cl)=CC=C32)CC1	REAL300012441817	0	54	0.0	-60.95	430.87	9.17	-51.78
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CCC3=CC(Cl)=CC=C32)CC1	REAL300012442722	0	54	0.0	-65.07	429.83	9.11	-55.96
CC1CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)O1	REAL300012443235	0	54	0.0	-58.07	401.83	5.09	-52.98
CCC(F)(F)C(C)(C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012443482	0	58	0.0	-60.01	427.10	7.68	-52.33
CC1=CC=C(CCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)=C1	REAL300012443789	0	62	0.0	-63.93	470.94	10.10	-53.83
C=CCCCCCCCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012444099	0	68	0.0	-58.32	510.86	10.96	-47.36
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CC=CCC2)CC1	REAL300012444333	0	57	0.0	-58.43	420.64	8.06	-50.37
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CC(C2)CO3)CC1	REAL300012444673	0	52	0.0	-59.82	391.06	4.89	-54.93
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCSC2)CC1	REAL300012444879	0	54	0.0	-58.96	410.75	7.18	-51.78
CC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300012445170	0	55	0.0	-71.04	438.06	8.73	-62.31
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCCC2CC2)CC1	REAL300012445388	0	56	0.0	-58.32	422.17	8.05	-50.27
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(C(C)(C)C)O2)CC1	REAL300012445900	0	59	0.0	-62.51	454.75	8.31	-54.20
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C(C)(F)F)CC1	REAL300012446460	0	55	0.0	-60.12	407.19	6.95	-53.17
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC23CCOCC3)CC1	REAL300012447201	0	61	0.0	-64.13	447.75	6.82	-57.31
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3(CO2)CCOCC3)CC1	REAL300012447510	0	62	0.0	-62.97	451.66	4.97	-58.00
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3CC2C2CC23)CC1	REAL300012448256	0	58	0.0	-62.28	420.66	8.49	-53.79
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2C[C@H]2C2CCOCC2)CC1	REAL300012448535	0	61	0.0	-59.34	452.20	7.22	-52.12
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=NN=NN1C1CC1	REAL300012448820	0	55	0.0	-69.34	431.94	5.72	-63.62
COC(C)(C)CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012449050	0	56	0.0	-59.21	410.84	4.99	-54.22
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCOC2)CC1	REAL300012449215	0	51	0.0	-64.71	387.06	4.58	-60.13
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=NN1C	REAL300012449678	0	53	0.0	-63.03	410.86	5.81	-57.22
COC1=CC=CC=C1[C@@H](C)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012449936	0	57	0.0	-65.69	435.95	7.66	-58.03
COC1=CC=CC=C1[C@H](C)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012450223	0	57	0.0	-65.04	435.99	7.68	-57.36
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1OC	REAL300012450664	0	60	0.0	-66.08	458.91	8.98	-57.10
COCC1CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012450890	0	54	0.0	-66.43	412.56	5.57	-60.86
CC1=CC=CC2=C1OCCC2NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012451157	0	58	0.0	-60.77	434.60	7.96	-52.81
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=C3C=CNC3=CC=C2)CC1	REAL300012451601	0	54	0.0	-67.03	422.36	7.44	-59.59
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC2=CN=CC=C2O1	REAL300012451908	0	55	0.0	-65.51	433.78	7.02	-58.49
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCN3N=CC=C23)CC1	REAL300012452517	0	54	0.0	-60.47	403.05	5.53	-54.94
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3(CCC3)O2)CC1	REAL300012452927	0	58	0.0	-60.31	431.19	6.48	-53.83
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2COC3(CCC3)C2)CC1	REAL300012453255	0	55	0.0	-60.84	414.20	6.02	-54.82
CO[C@H]1C[C@H](CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012453450	0	54	0.0	-59.78	407.61	5.22	-54.56
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCCC2(F)F)CC1	REAL300012453697	0	56	0.0	-66.15	425.34	7.83	-58.32
CCSC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012454415	0	57	0.0	-63.82	452.86	9.29	-54.53
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2C=CCC2)CC1	REAL300012454613	0	51	0.0	-62.55	388.69	7.02	-55.53
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=NS2)CC1	REAL300012454944	0	49	0.0	-64.69	397.49	6.01	-58.68
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC(C)(C)CO2)CC1	REAL300012455190	0	60	0.0	-61.86	442.93	6.68	-55.18
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)CC1	REAL300012455481	0	57	0.0	-62.58	413.80	8.37	-54.21
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(CC3CC3)CC2)CC1	REAL300012455796	0	57	0.0	-63.13	427.90	8.97	-54.16
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CC(F)(F)C2)CC1	REAL300012456224	0	53	0.0	-62.04	406.64	7.23	-54.81
CCCC(C)CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012456639	0	58	0.0	-58.28	426.35	7.63	-50.65
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)CC(F)F)CC1	REAL300012456854	0	55	0.0	-60.32	408.00	7.12	-53.20
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CC2(C)C)CC1	REAL300012457294	0	56	0.0	-58.20	412.64	7.77	-50.43
CC(C)C[C@H](NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458472	0	49	0.0	-71.93	372.59	5.29	-66.64
CC(C)C[C@H](NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458472	1	49	0.0	-74.66	372.72	5.29	-69.37
C=CCOCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458473	0	48	0.0	-72.98	380.25	3.70	-69.28
C=CCOCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458473	1	48	0.0	-69.95	374.78	3.65	-66.30
C=CC(C)C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458474	0	47	0.0	-73.26	360.35	4.79	-68.47
C=CC(C)C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458474	1	47	0.0	-74.40	358.54	4.78	-69.62
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCOCC1	REAL300012458475	0	51	0.0	-73.14	384.15	3.97	-69.17
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1CCOCC1	REAL300012458475	1	51	0.0	-75.57	378.51	3.74	-71.83
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC=C(F)C(F)=C1	REAL300012458476	0	47	0.0	-70.31	383.01	6.11	-64.20
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC=C(F)C(F)=C1	REAL300012458476	1	47	0.0	-64.92	377.05	6.00	-58.92
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC=C(Cl)C(F)=C1	REAL300012458477	0	47	0.0	-69.87	392.66	6.65	-63.22
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC=C(Cl)C(F)=C1	REAL300012458477	1	47	0.0	-64.74	386.95	6.45	-58.29
COC1CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C(C(=O)[O-])C1	REAL300012458478	0	51	0.0	-82.70	376.81	6.06	-76.64
COC1CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)C(C(=O)[O-])C1	REAL300012458478	1	51	0.0	-75.56	368.58	5.92	-69.64
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCCOC1	REAL300012458479	0	51	0.0	-70.71	382.11	4.03	-66.68
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1CCCOC1	REAL300012458479	1	51	0.0	-71.39	378.53	3.76	-67.63
CC1CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C(C(=O)[O-])C1	REAL300012458480	0	50	0.0	-82.88	358.41	7.47	-75.41
CC1CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)C(C(=O)[O-])C1	REAL300012458480	1	50	0.0	-75.73	359.15	7.59	-68.14
CC1=CC(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])=CC=C1F	REAL300012458481	0	50	0.0	-72.58	397.00	6.69	-65.89
CC1=CC(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])=CC=C1F	REAL300012458481	1	50	0.0	-66.61	390.92	6.67	-59.94
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC=C2OCCC2=C1	REAL300012458482	0	52	0.0	-76.01	406.19	5.84	-70.17
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC=C2OCCC2=C1	REAL300012458482	1	52	0.0	-69.79	400.15	5.81	-63.98
CC1=CC(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])=CC(C)=C1	REAL300012458483	0	53	0.0	-70.87	406.82	7.33	-63.54
CC1=CC(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])=CC(C)=C1	REAL300012458483	1	53	0.0	-76.70	412.98	7.35	-69.35
CC1=CC=C(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])C=C1C	REAL300012458484	0	53	0.0	-76.58	408.48	7.28	-69.30
CC1=CC=C(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])C=C1C	REAL300012458484	1	53	0.0	-70.55	402.63	7.17	-63.38
COC1=CC=C(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])C=C1Cl	REAL300012458485	0	51	0.0	-73.28	415.59	5.94	-67.34
COC1=CC=C(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])C=C1Cl	REAL300012458485	1	51	0.0	-67.33	409.27	5.77	-61.56
CC1=CC=CC(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])=C1C	REAL300012458486	0	53	0.0	-74.11	400.29	7.03	-67.08
CC1=CC=CC(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])=C1C	REAL300012458486	1	53	0.0	-70.12	394.47	6.91	-63.21
COC1=CC=C(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])C=C1F	REAL300012458487	0	51	0.0	-73.96	406.02	5.37	-68.59
COC1=CC=C(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])C=C1F	REAL300012458487	1	51	0.0	-67.75	399.47	5.29	-62.46
CC(C(=O)[O-])N(C(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCC1	REAL300012458488	0	50	0.0	-63.14	366.75	6.91	-56.23
CC(C(=O)[O-])N(C(=O)NCC1C[N@H+]2CCCC2CO1)C1CCC1	REAL300012458488	1	50	0.0	-59.54	360.25	6.69	-52.85
CCCN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C(COC)C(=O)[O-]	REAL300012458489	0	53	0.0	-75.11	395.22	7.52	-67.59
CCCN(C(=O)NCC1C[N@H+]2CCCC2CO1)C(COC)C(=O)[O-]	REAL300012458489	1	53	0.0	-70.09	389.91	7.34	-62.75
CCCN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C(CC)C(=O)[O-]	REAL300012458490	0	52	0.0	-71.70	379.83	7.35	-64.35
CCCN(C(=O)NCC1C[N@H+]2CCCC2CO1)C(CC)C(=O)[O-]	REAL300012458490	1	52	0.0	-54.68	372.46	8.05	-46.63
O=C([O-])C1CCCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458491	0	47	0.0	-74.87	337.90	7.15	-67.72
O=C([O-])C1CCCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458491	1	47	0.0	-75.64	338.59	7.03	-68.61
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC=C(Cl)C=C1	REAL300012458492	0	47	0.0	-72.01	386.80	6.60	-65.41
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC=C(Cl)C=C1	REAL300012458492	1	47	0.0	-70.26	386.93	6.55	-63.71
O=C([O-])C1CSCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458493	0	45	0.0	-80.62	344.50	7.09	-73.53
O=C([O-])C1CSCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458493	1	45	0.0	-72.02	337.89	6.74	-65.28
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CCCCC1	REAL300012458494	0	50	0.0	-71.23	357.32	6.14	-65.09
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CCCCC1	REAL300012458494	1	50	0.0	-70.83	357.82	6.03	-64.80
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CCCC1	REAL300012458495	0	47	0.0	-71.21	342.80	5.04	-66.17
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CCCC1	REAL300012458495	1	47	0.0	-70.85	343.24	4.93	-65.92
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CCCCCC1	REAL300012458496	0	53	0.0	-74.95	373.48	6.63	-68.32
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CCCCCC1	REAL300012458496	1	53	0.0	-71.28	363.51	6.70	-64.58
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458497	0	50	0.0	-75.82	392.31	7.00	-68.82
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458497	1	50	0.0	-75.89	392.39	6.97	-68.92
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458498	0	50	0.0	-59.55	391.05	8.74	-50.81
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458498	1	50	0.0	-58.03	379.13	8.34	-49.69
O=C([O-])[C@H](NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC=CC=C1	REAL300012458499	0	47	0.0	-76.06	370.28	6.00	-70.06
O=C([O-])[C@H](NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC=CC=C1	REAL300012458499	1	47	0.0	-69.72	364.24	5.97	-63.75
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC=CC=C1	REAL300012458500	0	47	0.0	-73.20	369.67	6.03	-67.17
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC=CC=C1	REAL300012458500	1	47	0.0	-73.48	369.96	6.10	-67.38
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458501	0	50	0.0	-75.82	392.31	7.00	-68.82
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458501	1	50	0.0	-75.89	392.39	6.97	-68.92
CCC(C)C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458502	0	49	0.0	-73.17	369.11	5.13	-68.04
CCC(C)C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458502	1	49	0.0	-68.17	357.90	4.75	-63.42
O=C([O-])C1CCCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458503	0	47	0.0	-74.87	337.90	7.15	-67.72
O=C([O-])C1CCCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458503	1	47	0.0	-75.64	338.59	7.03	-68.61
CCCC(C)(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458504	0	49	0.0	-71.70	359.77	5.05	-66.65
CCCC(C)(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458504	1	49	0.0	-71.70	359.66	5.07	-66.63
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458505	0	49	0.0	-61.05	361.57	6.55	-54.50
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458505	1	49	0.0	-62.51	367.86	6.82	-55.69
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458506	0	51	0.0	-72.75	377.35	8.87	-63.88
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458506	1	51	0.0	-75.53	376.41	8.97	-66.56
CC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)(C(=O)[O-])C1CC1	REAL300012458507	0	47	0.0	-75.21	347.70	5.06	-70.15
CC(NC(=O)NCC1C[N@H+]2CCCC2CO1)(C(=O)[O-])C1CC1	REAL300012458507	1	47	0.0	-73.06	347.70	5.08	-67.98
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC=CS1	REAL300012458508	0	44	0.0	-74.19	361.92	5.09	-69.10
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC=CS1	REAL300012458508	1	44	0.0	-68.34	356.10	4.98	-63.36
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CCCCC1	REAL300012458509	0	50	0.0	-71.23	357.32	6.14	-65.09
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CCCCC1	REAL300012458509	1	50	0.0	-70.83	357.82	6.03	-64.80
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458510	0	50	0.0	-59.56	401.69	8.97	-50.59
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458510	1	50	0.0	-60.66	407.68	9.28	-51.38
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458511	0	54	0.0	-74.51	420.73	7.04	-67.47
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458511	1	54	0.0	-77.17	421.54	7.04	-70.13
CC[C@H](C)[C@H](NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458512	0	49	0.0	-71.73	363.71	4.86	-66.87
CC[C@H](C)[C@H](NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458512	1	49	0.0	-68.16	357.89	4.75	-63.41
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CCCC1	REAL300012458513	0	47	0.0	-71.21	342.80	5.04	-66.17
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CCCC1	REAL300012458513	1	47	0.0	-70.85	343.24	4.93	-65.92
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458514	0	50	0.0	-60.09	391.37	8.52	-51.57
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458514	1	50	0.0	-60.84	397.35	8.83	-52.01
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CC2=CC=CC=C2C1	REAL300012458515	0	51	0.0	-77.94	389.75	7.25	-70.69
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CC2=CC=CC=C2C1	REAL300012458515	1	51	0.0	-71.12	383.73	7.21	-63.91
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC(F)=CC=C1F	REAL300012458516	0	47	0.0	-72.99	380.33	6.15	-66.84
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC(F)=CC=C1F	REAL300012458516	1	47	0.0	-70.11	375.31	6.05	-64.06
CC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012458517	0	50	0.0	-73.91	378.08	6.77	-67.14
CC(NC(=O)NCC1C[N@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012458517	1	50	0.0	-73.89	377.99	6.80	-67.09
CCCCCCC(C)(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458518	0	58	0.0	-71.84	424.27	7.38	-64.46
CCCCCCC(C)(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458518	1	58	0.0	-67.64	418.44	7.27	-60.37
CN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012458519	0	53	0.0	-74.30	403.06	8.99	-65.31
CN(C(=O)NCC1C[N@H+]2CCCC2CO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012458519	1	53	0.0	-73.98	402.99	9.08	-64.90
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC=C(Cl)C=C1	REAL300012458520	0	47	0.0	-72.01	386.80	6.60	-65.41
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC=C(Cl)C=C1	REAL300012458520	1	47	0.0	-70.26	386.93	6.55	-63.71
O=C([O-])C1COCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458521	0	45	0.0	-79.50	335.02	4.39	-75.11
O=C([O-])C1COCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458521	1	45	0.0	-72.17	329.49	4.33	-67.84
CN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C1(C(=O)[O-])CCCCC1	REAL300012458522	0	53	0.0	-73.04	366.57	7.45	-65.59
CN(C(=O)NCC1C[N@H+]2CCCC2CO1)C1(C(=O)[O-])CCCCC1	REAL300012458522	1	53	0.0	-72.51	367.07	7.33	-65.18
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458523	0	53	0.0	-60.07	413.45	9.51	-50.56
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458523	1	53	0.0	-60.21	407.64	9.41	-50.80
CN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012458524	0	50	0.0	-74.30	380.11	8.22	-66.08
CN(C(=O)NCC1C[N@H+]2CCCC2CO1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012458524	1	50	0.0	-74.30	381.36	7.90	-66.40
COCCN(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458525	0	47	0.0	-60.02	363.43	4.92	-55.10
COCCN(CC(=O)[O-])C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458525	1	47	0.0	-63.72	363.33	4.94	-58.78
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CCC2=CC=CC=C21	REAL300012458526	0	51	0.0	-80.44	384.99	7.10	-73.34
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CCC2=CC=CC=C21	REAL300012458526	1	51	0.0	-78.09	384.89	7.12	-70.97
O=C([O-])[C@H]1CCCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458527	0	47	0.0	-81.55	343.73	6.86	-74.69
O=C([O-])[C@H]1CCCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458527	1	47	0.0	-73.83	337.93	6.78	-67.05
CC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458528	0	47	0.0	-72.94	343.76	6.41	-66.53
CC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458528	1	47	0.0	-72.47	343.73	6.34	-66.13
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458529	0	54	0.0	-82.43	426.21	6.94	-75.49
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458529	1	54	0.0	-75.57	420.38	6.83	-68.74
O=C([O-])C1CCCCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458530	0	50	0.0	-71.40	352.37	7.72	-63.68
O=C([O-])C1CCCCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458530	1	50	0.0	-73.01	351.07	7.27	-65.74
CCCCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458531	0	49	0.0	-71.27	376.29	5.48	-65.79
CCCCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458531	1	49	0.0	-68.47	371.30	5.36	-63.11
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458532	0	53	0.0	-60.07	413.45	9.51	-50.56
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458532	1	53	0.0	-60.21	407.64	9.41	-50.80
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458533	0	47	0.0	-77.30	350.08	6.37	-70.93
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458533	1	47	0.0	-79.94	349.81	6.40	-73.54
O=C([O-])CN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCCC1	REAL300012458534	0	50	0.0	-62.79	369.44	7.39	-55.40
O=C([O-])CN(C(=O)NCC1C[N@H+]2CCCC2CO1)C1CCCC1	REAL300012458534	1	50	0.0	-62.30	368.34	7.33	-54.97
COCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458535	0	44	0.0	-73.02	345.50	2.15	-70.87
COCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458535	1	44	0.0	-73.35	345.74	2.23	-71.12
CCCCCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458536	0	52	0.0	-71.18	397.79	6.26	-64.92
CCCCCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458536	1	52	0.0	-68.45	392.80	6.14	-62.31
CCC1CCC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)(C(=O)[O-])CC1	REAL300012458537	0	56	0.0	-71.12	396.38	7.39	-63.73
CCC1CCC(NC(=O)NCC2C[N@H+]3CCCC3CO2)(C(=O)[O-])CC1	REAL300012458537	1	56	0.0	-70.63	396.80	7.28	-63.35
O=C([O-])CN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCOCC1	REAL300012458538	0	51	0.0	-58.79	376.87	5.64	-53.15
O=C([O-])CN(C(=O)NCC1C[N@H+]2CCCC2CO1)C1CCOCC1	REAL300012458538	1	51	0.0	-62.76	376.77	5.66	-57.10
CN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C1(C(=O)[O-])CCCC1	REAL300012458539	0	50	0.0	-72.81	353.26	6.74	-66.07
CN(C(=O)NCC1C[N@H+]2CCCC2CO1)C1(C(=O)[O-])CCCC1	REAL300012458539	1	50	0.0	-73.39	353.76	6.61	-66.78
CC(C(=O)[O-])N(C(=O)NCC1C[N@@H+]2CCCC2CO1)C1CC1	REAL300012458540	0	47	0.0	-65.57	336.71	5.99	-59.58
CC(C(=O)[O-])N(C(=O)NCC1C[N@H+]2CCCC2CO1)C1CC1	REAL300012458540	1	47	0.0	-60.04	344.97	6.35	-53.69
CCC(C(=O)[O-])N(C(=O)NCC1C[N@@H+]2CCCC2CO1)C1CC1	REAL300012458541	0	50	0.0	-66.42	355.30	6.99	-59.43
CCC(C(=O)[O-])N(C(=O)NCC1C[N@H+]2CCCC2CO1)C1CC1	REAL300012458541	1	50	0.0	-59.74	365.16	7.29	-52.45
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC=CC=C1Cl	REAL300012458542	0	47	0.0	-70.89	375.87	6.42	-64.47
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC=CC=C1Cl	REAL300012458542	1	47	0.0	-70.56	376.04	6.38	-64.18
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC=CC=C1F	REAL300012458543	0	47	0.0	-74.71	368.40	6.09	-68.62
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC=CC=C1F	REAL300012458543	1	47	0.0	-74.31	368.63	6.04	-68.27
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458544	0	51	0.0	-66.68	385.60	8.32	-58.36
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458544	1	51	0.0	-63.42	379.77	8.20	-55.22
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458545	0	50	0.0	-78.78	407.78	7.32	-71.46
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458545	1	50	0.0	-72.33	401.11	7.14	-65.19
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458546	0	56	0.0	-77.20	436.15	8.93	-68.27
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458546	1	56	0.0	-72.83	430.11	8.89	-63.94
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458547	0	56	0.0	-72.23	414.22	7.19	-65.04
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458547	1	56	0.0	-68.65	408.38	7.08	-61.57
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458548	0	53	0.0	-58.58	399.11	9.37	-49.21
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458548	1	53	0.0	-57.89	392.78	8.71	-49.18
CC1=CC=C(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])C=C1	REAL300012458549	0	50	0.0	-76.07	391.71	6.68	-69.39
CC1=CC=C(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])C=C1	REAL300012458549	1	50	0.0	-74.05	391.61	6.70	-67.35
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458550	0	43	0.0	-67.01	350.06	4.61	-62.40
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458550	1	43	0.0	-66.48	349.71	4.72	-61.76
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC2=CC=CC=C2C=C1	REAL300012458551	0	53	0.0	-77.28	416.02	8.34	-68.94
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC2=CC=CC=C2C=C1	REAL300012458551	1	53	0.0	-71.43	410.33	8.16	-63.27
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CCSCC1	REAL300012458552	0	48	0.0	-67.58	355.00	5.79	-61.79
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CCSCC1	REAL300012458552	1	48	0.0	-67.34	355.39	5.69	-61.65
COCC(C)(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458553	0	47	0.0	-78.44	356.50	3.59	-74.85
COCC(C)(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458553	1	47	0.0	-71.40	350.69	3.48	-67.92
CCOCC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458554	0	50	0.0	-70.27	377.12	5.33	-64.94
CCOCC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458554	1	50	0.0	-71.90	376.20	5.32	-66.58
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458555	0	49	0.0	-61.05	361.57	6.55	-54.50
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458555	1	49	0.0	-62.51	367.86	6.82	-55.69
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458556	0	56	0.0	-59.92	413.84	9.45	-50.47
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458556	1	56	0.0	-58.57	411.32	9.37	-49.20
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458557	0	46	0.0	-58.73	371.76	6.84	-51.89
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458557	1	46	0.0	-62.66	371.58	6.89	-55.77
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CCOC1	REAL300012458558	0	45	0.0	-73.79	339.87	2.44	-71.35
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CCOC1	REAL300012458558	1	45	0.0	-67.02	333.95	2.31	-64.71
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCCCC1	REAL300012458559	0	53	0.0	-76.03	387.20	6.21	-69.82
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1CCCCC1	REAL300012458559	1	53	0.0	-75.88	392.69	6.41	-69.47
CN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C(COC1CCC1)C(=O)[O-]	REAL300012458560	0	54	0.0	-70.89	403.67	6.63	-64.26
CN(C(=O)NCC1C[N@H+]2CCCC2CO1)C(COC1CCC1)C(=O)[O-]	REAL300012458560	1	54	0.0	-68.68	398.84	6.68	-62.00
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458561	0	54	0.0	-82.24	408.25	10.10	-72.14
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458561	1	54	0.0	-74.35	403.86	9.81	-64.54
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CCOCC1	REAL300012458562	0	48	0.0	-70.63	348.73	3.66	-66.97
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CCOCC1	REAL300012458562	1	48	0.0	-74.42	354.95	3.69	-70.73
C=CCCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458563	0	47	0.0	-70.99	367.60	5.26	-65.73
C=CCCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458563	1	47	0.0	-71.33	368.09	5.34	-65.99
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458564	0	53	0.0	-56.53	400.37	9.81	-46.72
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458564	1	53	0.0	-53.74	399.88	9.84	-43.90
CCC(CC)(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458565	0	49	0.0	-72.44	354.93	5.18	-67.26
CCC(CC)(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458565	1	49	0.0	-68.14	348.83	5.08	-63.06
COC1=CC=C(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])C=C1	REAL300012458566	0	51	0.0	-75.60	399.80	5.30	-70.30
COC1=CC=C(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])C=C1	REAL300012458566	1	51	0.0	-73.23	399.46	5.39	-67.84
CCC(C)N(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458567	0	49	0.0	-56.89	358.82	7.24	-49.65
CCC(C)N(CC(=O)[O-])C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458567	1	49	0.0	-62.37	362.67	7.09	-55.28
CCC(COC)(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458568	0	50	0.0	-76.93	373.18	4.49	-72.44
CCC(COC)(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458568	1	50	0.0	-76.97	372.84	4.52	-72.45
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458569	0	53	0.0	-70.54	396.78	5.99	-64.55
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458569	1	53	0.0	-72.68	395.92	6.09	-66.59
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CCS(=O)(=O)CC1	REAL300012458570	0	50	0.0	-72.41	373.86	2.13	-70.28
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CCS(=O)(=O)CC1	REAL300012458570	1	50	0.0	-72.23	374.30	2.02	-70.21
O=C([O-])C(CC1CC1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458571	0	47	0.0	-74.66	366.25	5.36	-69.30
O=C([O-])C(CC1CC1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458571	1	47	0.0	-68.49	360.34	5.25	-63.24
COCCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458572	0	47	0.0	-72.08	367.80	2.98	-69.10
COCCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458572	1	47	0.0	-71.68	367.45	3.07	-68.61
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458573	0	52	0.0	-71.91	382.40	7.26	-64.65
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458573	1	52	0.0	-72.20	383.25	7.53	-64.67
O=C([O-])C(CC(F)F)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458574	0	43	0.0	-67.84	344.74	4.44	-63.40
O=C([O-])C(CC(F)F)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458574	1	43	0.0	-67.94	344.64	4.48	-63.46
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458575	0	53	0.0	-72.78	378.98	8.07	-64.71
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458575	1	53	0.0	-73.81	381.37	8.11	-65.70
CCCN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C(C)C(=O)[O-]	REAL300012458576	0	49	0.0	-63.93	363.68	6.57	-57.36
CCCN(C(=O)NCC1C[N@H+]2CCCC2CO1)C(C)C(=O)[O-]	REAL300012458576	1	49	0.0	-68.99	363.11	6.48	-62.51
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458577	0	53	0.0	-56.53	400.38	9.81	-46.72
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458577	1	53	0.0	-54.01	396.69	9.67	-44.34
CCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012458578	0	53	0.0	-71.25	411.72	8.17	-63.08
CCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012458578	1	53	0.0	-67.00	405.90	8.06	-58.94
CCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012458579	0	53	0.0	-74.62	394.99	7.63	-66.99
CCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012458579	1	53	0.0	-74.61	394.95	7.70	-66.91
COC1CCCC(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])C1	REAL300012458580	0	57	0.0	-76.70	421.37	5.54	-71.16
COC1CCCC(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])C1	REAL300012458580	1	57	0.0	-71.59	417.32	5.31	-66.28
O=C([O-])C(CCF)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458581	0	43	0.0	-70.64	340.71	4.06	-66.58
O=C([O-])C(CCF)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458581	1	43	0.0	-70.24	340.37	4.15	-66.09
COC1(CC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])CCC1	REAL300012458582	0	54	0.0	-74.49	405.88	5.00	-69.49
COC1(CC(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])CCC1	REAL300012458582	1	54	0.0	-68.42	396.06	5.13	-63.29
O=C([O-])CN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCOCC1	REAL300012458583	0	51	0.0	-58.79	376.87	5.64	-53.15
O=C([O-])CN(C(=O)NCC1C[N@H+]2CCCC2CO1)C1CCOCC1	REAL300012458583	1	51	0.0	-62.76	376.77	5.66	-57.10
O=C([O-])CN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCCCC1	REAL300012458584	0	53	0.0	-58.95	385.85	7.98	-50.97
O=C([O-])CN(C(=O)NCC1C[N@H+]2CCCC2CO1)C1CCCCC1	REAL300012458584	1	53	0.0	-62.77	385.73	8.04	-54.73
C[C@H]1CC[C@@](NC(=O)NCC2C[N@@H+]3CCCC3CO2)(C(=O)[O-])CC1	REAL300012458585	0	53	0.0	-75.41	377.44	6.51	-68.90
C[C@H]1CC[C@@](NC(=O)NCC2C[N@H+]3CCCC3CO2)(C(=O)[O-])CC1	REAL300012458585	1	53	0.0	-75.47	377.21	6.58	-68.89
COC1=CC=CC(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])=C1	REAL300012458586	0	51	0.0	-76.27	399.76	5.29	-70.98
COC1=CC=CC(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])=C1	REAL300012458586	1	51	0.0	-72.11	393.96	5.18	-66.93
CC(CCF)(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458587	0	46	0.0	-68.48	344.86	4.44	-64.04
CC(CCF)(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458587	1	46	0.0	-68.47	344.75	4.46	-64.01
O=C([O-])C1C2=C(CCN1C(=O)NCC1C[N@@H+]3CCCC3CO1)OC=C2	REAL300012458588	0	48	0.0	-63.47	360.72	6.47	-57.00
O=C([O-])C1C2=C(CCN1C(=O)NCC1C[N@H+]3CCCC3CO1)OC=C2	REAL300012458588	1	48	0.0	-63.94	361.25	6.37	-57.57
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458589	0	44	0.0	-73.89	346.78	5.65	-68.24
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458589	1	44	0.0	-66.98	340.39	5.64	-61.34
COC1=CC=CC([C@H](NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])=C1	REAL300012458590	0	51	0.0	-76.26	399.76	5.28	-70.98
COC1=CC=CC([C@H](NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])=C1	REAL300012458590	1	51	0.0	-77.44	399.10	5.34	-72.10
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300012458591	0	53	0.0	-73.10	393.76	6.85	-66.25
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300012458591	1	53	0.0	-73.00	392.77	7.37	-65.63
COC1=CC=CC(CC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])=C1	REAL300012458592	0	54	0.0	-75.32	421.99	6.23	-69.09
COC1=CC=CC(CC(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])=C1	REAL300012458592	1	54	0.0	-68.86	415.89	6.21	-62.65
CC1(C)CCCC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)(C(=O)[O-])C1	REAL300012458593	0	56	0.0	-76.30	391.56	7.01	-69.29
CC1(C)CCCC(NC(=O)NCC2C[N@H+]3CCCC3CO2)(C(=O)[O-])C1	REAL300012458593	1	56	0.0	-71.88	385.66	6.89	-64.99
O=C([O-])C12CC(C1)CN2C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458594	0	45	0.0	-84.78	340.79	6.44	-78.34
O=C([O-])C12CC(C1)CN2C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458594	1	45	0.0	-77.64	334.30	6.36	-71.28
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458595	0	53	0.0	-73.64	412.36	7.65	-65.99
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458595	1	53	0.0	-66.67	406.62	7.53	-59.14
CC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012458596	0	52	0.0	-69.41	406.30	7.45	-61.96
CC(NC(=O)NCC1C[N@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012458596	1	52	0.0	-76.95	406.21	7.47	-69.48
COC1CN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C(C)(C(=O)[O-])C1	REAL300012458597	0	51	0.0	-69.24	376.51	5.44	-63.80
COC1CN(C(=O)NCC2C[N@H+]3CCCC3CO2)C(C)(C(=O)[O-])C1	REAL300012458597	1	51	0.0	-73.53	377.26	5.25	-68.28
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458598	0	54	0.0	-73.64	401.32	5.43	-68.21
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458598	1	54	0.0	-67.25	395.25	5.40	-61.85
CC(C)(C)[C@H](NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458599	0	49	0.0	-71.70	363.32	5.06	-66.64
CC(C)(C)[C@H](NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458599	1	49	0.0	-68.17	357.48	4.94	-63.23
C=C(Cl)CC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458600	0	44	0.0	-71.88	362.56	5.00	-66.88
C=C(Cl)CC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458600	1	44	0.0	-68.21	362.25	5.13	-63.08
C=C(C)CC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458601	0	47	0.0	-71.40	367.18	5.14	-66.26
C=C(C)CC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458601	1	47	0.0	-72.48	365.59	5.26	-67.22
O=C([O-])C12CCC(CC1)N2C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458602	0	48	0.0	-86.18	354.68	7.29	-78.89
O=C([O-])C12CCC(CC1)N2C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458602	1	48	0.0	-86.09	354.74	7.33	-78.76
CC(CC1=CC=C(F)C=C1)(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458603	0	53	0.0	-74.28	402.04	7.20	-67.08
CC(CC1=CC=C(F)C=C1)(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458603	1	53	0.0	-67.28	396.30	7.08	-60.20
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458604	0	44	0.0	-66.30	339.40	6.02	-60.28
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458604	1	44	0.0	-73.35	345.65	6.06	-67.29
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458605	0	44	0.0	-70.29	332.91	5.95	-64.34
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458605	1	44	0.0	-77.80	339.18	5.95	-71.85
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300012458606	0	45	0.0	-73.46	341.98	5.89	-67.57
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300012458606	1	45	0.0	-81.19	348.21	5.90	-75.29
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458607	0	54	0.0	-72.68	404.74	4.75	-67.93
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458607	1	54	0.0	-69.94	399.75	4.63	-65.31
CC(C)C[C@H](NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458608	0	49	0.0	-71.93	372.59	5.29	-66.64
CC(C)C[C@H](NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458608	1	49	0.0	-74.66	372.72	5.29	-69.37
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCOCC1	REAL300012458609	0	51	0.0	-73.14	384.15	3.97	-69.17
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1CCOCC1	REAL300012458609	1	51	0.0	-75.57	378.51	3.74	-71.83
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC=CC=C1	REAL300012458610	0	47	0.0	-73.20	369.67	6.03	-67.17
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC=CC=C1	REAL300012458610	1	47	0.0	-73.48	369.96	6.10	-67.38
O=C([O-])C(CC1CC1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458611	0	47	0.0	-74.66	366.25	5.36	-69.30
O=C([O-])C(CC1CC1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458611	1	47	0.0	-68.49	360.34	5.25	-63.24
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458612	0	46	0.0	-74.69	379.06	4.13	-70.56
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458612	1	46	0.0	-67.05	373.04	4.06	-62.99
CC(C)CCCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458613	0	55	0.0	-71.95	416.19	6.75	-65.20
CC(C)CCCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458613	1	55	0.0	-71.95	416.08	6.79	-65.16
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458614	0	53	0.0	-73.87	422.18	7.40	-66.47
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458614	1	53	0.0	-67.86	416.36	7.29	-60.57
O=C([O-])C(CC1CCCO1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458615	0	51	0.0	-68.47	382.07	4.82	-63.65
O=C([O-])C(CC1CCCO1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458615	1	51	0.0	-72.57	384.51	4.21	-68.36
CSCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458616	0	44	0.0	-69.16	356.92	4.37	-64.79
CSCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458616	1	44	0.0	-69.62	357.48	4.37	-65.25
COC[C@H](NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458617	0	44	0.0	-73.25	345.85	2.21	-71.04
COC[C@H](NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458617	1	44	0.0	-75.51	345.44	2.18	-73.33
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458618	0	50	0.0	-73.52	398.73	7.07	-66.45
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458618	1	50	0.0	-71.12	398.66	7.10	-64.02
CCC(C)CC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458619	0	52	0.0	-72.32	391.06	5.88	-66.44
CCC(C)CC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458619	1	52	0.0	-72.24	390.84	5.97	-66.27
C=CCCCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458620	0	50	0.0	-71.63	389.93	6.03	-65.60
C=CCCCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458620	1	50	0.0	-68.04	384.12	5.92	-62.12
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458621	0	50	0.0	-70.88	398.09	7.02	-63.86
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458621	1	50	0.0	-66.96	392.25	6.91	-60.05
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC=CC2=CC=CC=C21	REAL300012458622	0	53	0.0	-77.03	410.11	8.19	-68.84
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC=CC2=CC=CC=C21	REAL300012458622	1	53	0.0	-72.90	404.28	8.07	-64.83
O=C([O-])C1CSCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458623	0	45	0.0	-80.62	344.50	7.09	-73.53
O=C([O-])C1CSCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458623	1	45	0.0	-72.02	337.89	6.74	-65.28
CC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012458624	0	50	0.0	-73.91	378.08	6.77	-67.14
CC(NC(=O)NCC1C[N@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012458624	1	50	0.0	-73.89	377.99	6.80	-67.09
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458625	0	48	0.0	-84.52	354.60	7.37	-77.15
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458625	1	48	0.0	-85.30	354.06	7.49	-77.81
CCN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C(C)(C)C(=O)[O-]	REAL300012458626	0	49	0.0	-77.51	358.80	6.67	-70.84
CCN(C(=O)NCC1C[N@H+]2CCCC2CO1)C(C)(C)C(=O)[O-]	REAL300012458626	1	49	0.0	-70.12	352.94	6.58	-63.54
CCCN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C(C)C(=O)[O-]	REAL300012458627	0	49	0.0	-63.93	363.68	6.57	-57.36
CCCN(C(=O)NCC1C[N@H+]2CCCC2CO1)C(C)C(=O)[O-]	REAL300012458627	1	49	0.0	-68.99	363.11	6.48	-62.51
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458628	0	43	0.0	-69.25	346.66	6.24	-63.01
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458628	1	43	0.0	-64.45	340.85	6.14	-58.31
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458629	0	43	0.0	-69.25	346.66	6.24	-63.01
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458629	1	43	0.0	-64.45	340.85	6.14	-58.31
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458630	0	56	0.0	-59.67	420.40	4.21	-55.46
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458630	1	56	0.0	-59.84	413.40	3.94	-55.90
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458631	0	45	0.0	-75.47	338.59	2.14	-73.33
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458631	1	45	0.0	-75.95	340.27	1.98	-73.97
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2C[N@@H+]3CCCC3CO2)CC1	REAL300012458632	1	60	0.0	-59.09	440.37	3.86	-55.23
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2C[N@H+]3CCCC3CO2)CC1	REAL300012458632	1	60	0.0	-58.90	439.68	3.97	-54.93
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458633	0	51	0.0	-58.96	388.03	8.64	-50.32
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458633	1	51	0.0	-56.96	386.25	8.93	-48.03
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2C[N@@H+]3CCCC3CO2)[C@H]1C(=O)[O-]	REAL300012458634	0	54	0.0	-62.67	397.42	9.05	-53.62
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2C[N@H+]3CCCC3CO2)[C@H]1C(=O)[O-]	REAL300012458634	1	54	0.0	-65.86	397.07	9.11	-56.75
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458635	0	52	0.0	-71.93	390.06	7.12	-64.81
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458635	1	52	0.0	-68.83	383.98	7.03	-61.80
O=C([O-])[C@H](NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC=CC=C1	REAL300012458636	0	47	0.0	-76.06	370.28	6.00	-70.06
O=C([O-])[C@H](NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC=CC=C1	REAL300012458636	1	47	0.0	-69.72	364.24	5.97	-63.75
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458637	0	52	0.0	-76.35	410.41	5.94	-70.41
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458637	1	52	0.0	-70.28	404.59	5.84	-64.44
C=CCCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458638	0	47	0.0	-70.99	367.60	5.26	-65.73
C=CCCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458638	1	47	0.0	-71.33	368.09	5.34	-65.99
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458639	0	46	0.0	-77.48	379.11	3.95	-73.53
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458639	1	46	0.0	-67.14	373.51	3.83	-63.31
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458640	0	47	0.0	-68.08	398.35	5.81	-62.27
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458640	1	47	0.0	-70.07	397.70	5.79	-64.28
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458641	0	47	0.0	-80.78	356.95	3.38	-77.40
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458641	1	47	0.0	-80.87	357.49	3.29	-77.58
CN1CC(C(=O)[O-])N(C(=O)NCC2C[N@@H+]3CCCC3CO2)CC1=O	REAL300012458642	0	48	0.0	-73.31	360.98	5.08	-68.23
CN1CC(C(=O)[O-])N(C(=O)NCC2C[N@H+]3CCCC3CO2)CC1=O	REAL300012458642	1	48	0.0	-67.75	354.97	4.99	-62.76
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458643	0	47	0.0	-72.93	343.68	6.42	-66.51
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458643	1	47	0.0	-73.10	344.02	6.28	-66.82
O=C([O-])[C@@H](NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CC=CC=C1	REAL300012458644	0	47	0.0	-73.20	369.73	6.01	-67.19
O=C([O-])[C@@H](NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CC=CC=C1	REAL300012458644	1	47	0.0	-75.73	370.20	6.02	-69.71
CC(CN1C=CC=N1)(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458645	0	50	0.0	-77.31	379.67	5.32	-71.99
CC(CN1C=CC=N1)(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458645	1	50	0.0	-70.44	373.86	5.23	-65.21
O=C([O-])CN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCCC1	REAL300012458646	0	50	0.0	-62.79	369.44	7.39	-55.40
O=C([O-])CN(C(=O)NCC1C[N@H+]2CCCC2CO1)C1CCCC1	REAL300012458646	1	50	0.0	-62.30	368.34	7.33	-54.97
CC[C@H](C)[C@H](NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458647	0	49	0.0	-71.73	363.71	4.86	-66.87
CC[C@H](C)[C@H](NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458647	1	49	0.0	-68.16	357.89	4.75	-63.41
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CC(CO)C1	REAL300012458648	0	48	0.0	-71.44	361.12	1.95	-69.49
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CC(CO)C1	REAL300012458648	1	48	0.0	-71.66	361.43	1.82	-69.84
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458649	0	56	0.0	-73.66	416.82	5.26	-68.40
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458649	1	56	0.0	-75.66	413.81	5.17	-70.49
CC1CCC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)(C(=O)[O-])C1	REAL300012458650	0	50	0.0	-78.06	370.14	5.60	-72.46
CC1CCC(NC(=O)NCC2C[N@H+]3CCCC3CO2)(C(=O)[O-])C1	REAL300012458650	1	50	0.0	-70.98	364.41	5.47	-65.51
CC1(C)CCCC1(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458651	0	53	0.0	-75.68	379.68	6.39	-69.29
CC1(C)CCCC1(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458651	1	53	0.0	-71.14	373.92	6.28	-64.86
COCCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458652	0	47	0.0	-72.08	367.80	2.98	-69.10
COCCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458652	1	47	0.0	-71.68	367.45	3.07	-68.61
CN(C(=O)NCC1C[N@@H+]2CCCC2CO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012458653	0	53	0.0	-74.30	403.06	8.99	-65.31
CN(C(=O)NCC1C[N@H+]2CCCC2CO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012458653	1	53	0.0	-73.98	402.99	9.08	-64.90
CC1(C)CC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)(C(=O)[O-])C1	REAL300012458654	0	50	0.0	-71.85	365.30	6.37	-65.48
CC1(C)CC(NC(=O)NCC2C[N@H+]3CCCC3CO2)(C(=O)[O-])C1	REAL300012458654	1	50	0.0	-72.16	365.66	6.21	-65.95
CC1CCC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)(C(=O)[O-])C2=CC=CC=C21	REAL300012458655	0	57	0.0	-72.15	412.74	8.33	-63.82
CC1CCC(NC(=O)NCC2C[N@H+]3CCCC3CO2)(C(=O)[O-])C2=CC=CC=C21	REAL300012458655	1	57	0.0	-73.73	413.16	8.26	-65.47
CC1(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])CC1	REAL300012458656	0	47	0.0	-75.34	363.30	5.09	-70.25
CC1(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])CC1	REAL300012458656	1	47	0.0	-73.57	355.51	5.29	-68.28
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458657	0	56	0.0	-76.48	418.01	5.21	-71.27
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458657	1	56	0.0	-70.95	412.35	5.03	-65.92
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458658	0	45	0.0	-87.35	344.99	2.27	-85.08
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458658	1	45	0.0	-83.85	343.41	2.35	-81.50
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458659	0	55	0.0	-63.32	412.57	9.43	-53.89
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458659	1	55	0.0	-64.24	406.62	9.32	-54.92
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCOC1	REAL300012458660	0	48	0.0	-70.57	368.97	3.12	-67.45
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1CCOC1	REAL300012458660	1	48	0.0	-70.44	361.01	2.96	-67.48
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458661	0	48	0.0	-75.56	348.65	7.00	-68.56
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458661	1	48	0.0	-83.80	354.72	6.99	-76.81
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1=CNC2=CC=CC=C12	REAL300012458662	0	51	0.0	-82.89	401.96	6.14	-76.75
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1=CNC2=CC=CC=C12	REAL300012458662	1	51	0.0	-76.49	396.15	6.03	-70.46
O=C([O-])C12COC(CN1C(=O)NCC1C[N@@H+]3CCCC3CO1)C2	REAL300012458663	0	46	0.0	-72.98	340.40	4.75	-68.23
O=C([O-])C12COC(CN1C(=O)NCC1C[N@H+]3CCCC3CO1)C2	REAL300012458663	1	46	0.0	-73.16	341.14	4.65	-68.51
CC1CCC(C(=O)[O-])N(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300012458664	0	50	0.0	-75.64	354.06	7.96	-67.68
CC1CCC(C(=O)[O-])N(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300012458664	1	50	0.0	-73.92	358.91	7.34	-66.58
CC(C1=CC=CC=C1)C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458665	0	53	0.0	-73.15	409.28	7.35	-65.80
CC(C1=CC=CC=C1)C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458665	1	53	0.0	-68.34	401.82	7.18	-61.16
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458666	0	54	0.0	-74.68	406.58	7.12	-67.56
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458666	1	54	0.0	-67.97	396.21	7.69	-60.28
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCC1	REAL300012458667	0	47	0.0	-69.69	348.04	4.82	-64.87
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1CCC1	REAL300012458667	1	47	0.0	-69.12	348.40	4.79	-64.33
CC1(C)CC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)(C(=O)[O-])CC(C)(C)O1	REAL300012458668	0	60	0.0	-70.52	421.18	6.78	-63.74
CC1(C)CC(NC(=O)NCC2C[N@H+]3CCCC3CO2)(C(=O)[O-])CC(C)(C)O1	REAL300012458668	1	60	0.0	-69.96	421.61	6.67	-63.29
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCCCC1	REAL300012458669	0	53	0.0	-76.03	387.20	6.21	-69.82
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1CCCCC1	REAL300012458669	1	53	0.0	-75.88	392.69	6.41	-69.47
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCC1	REAL300012458670	0	47	0.0	-69.69	348.04	4.82	-64.87
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1CCC1	REAL300012458670	1	47	0.0	-69.12	348.40	4.79	-64.33
CC1CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1C(=O)[O-]	REAL300012458671	0	47	0.0	-72.54	340.27	6.38	-66.16
CC1CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)C1C(=O)[O-]	REAL300012458671	1	47	0.0	-74.75	348.39	6.00	-68.75
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458672	0	54	0.0	-75.70	408.33	5.10	-70.60
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458672	1	54	0.0	-68.42	400.54	5.55	-62.87
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458673	0	54	0.0	-58.76	380.13	7.61	-51.15
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458673	1	54	0.0	-54.89	380.13	7.71	-47.18
CC1(C)CC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)(C(=O)[O-])CCO1	REAL300012458674	0	54	0.0	-78.39	384.20	4.94	-73.45
CC1(C)CC(NC(=O)NCC2C[N@H+]3CCCC3CO2)(C(=O)[O-])CCO1	REAL300012458674	1	54	0.0	-71.26	378.25	4.83	-66.43
CC1=CC=CC2=C1CCN(C(=O)NCC1C[N@@H+]3CCCC3CO1)C2C(=O)[O-]	REAL300012458675	0	54	0.0	-80.54	391.69	9.46	-71.08
CC1=CC=CC2=C1CCN(C(=O)NCC1C[N@H+]3CCCC3CO1)C2C(=O)[O-]	REAL300012458675	1	54	0.0	-80.57	392.16	9.37	-71.20
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458676	0	48	0.0	-57.03	349.50	6.86	-50.17
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458676	1	48	0.0	-57.42	349.90	6.76	-50.66
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458677	0	54	0.0	-74.68	406.58	7.12	-67.56
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458677	1	54	0.0	-67.97	396.21	7.69	-60.28
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458678	0	50	0.0	-72.51	398.91	7.00	-65.51
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458678	1	50	0.0	-66.32	392.80	6.97	-59.35
COC1CC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)(C(=O)[O-])C1	REAL300012458679	0	48	0.0	-67.50	360.60	3.52	-63.98
COC1CC(NC(=O)NCC2C[N@H+]3CCCC3CO2)(C(=O)[O-])C1	REAL300012458679	1	48	0.0	-67.67	360.89	3.40	-64.27
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CC(F)(F)C1	REAL300012458680	0	44	0.0	-70.01	337.35	4.67	-65.34
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CC(F)(F)C1	REAL300012458680	1	44	0.0	-69.65	338.06	4.55	-65.10
CO[C@H]1C[C@](NC(=O)NCC2C[N@@H+]3CCCC3CO2)(C(=O)[O-])C1	REAL300012458681	0	48	0.0	-74.52	367.03	3.53	-70.99
CO[C@H]1C[C@](NC(=O)NCC2C[N@H+]3CCCC3CO2)(C(=O)[O-])C1	REAL300012458681	1	48	0.0	-72.41	366.29	3.58	-68.83
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1(C(F)(F)F)CC1	REAL300012458682	0	47	0.0	-68.62	374.72	5.46	-63.16
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1(C(F)(F)F)CC1	REAL300012458682	1	47	0.0	-64.39	370.31	5.18	-59.21
CCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458683	0	50	0.0	-72.62	357.50	7.31	-65.31
CCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458683	1	50	0.0	-75.20	357.11	7.49	-67.71
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458684	0	43	0.0	-67.01	350.06	4.61	-62.40
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458684	1	43	0.0	-66.48	349.71	4.72	-61.76
O=C([O-])C(CC1CCOC1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458685	0	51	0.0	-76.59	387.68	4.00	-72.59
O=C([O-])C(CC1CCOC1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458685	1	51	0.0	-73.78	387.78	4.04	-69.74
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458686	0	47	0.0	-73.93	384.72	5.93	-68.00
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458686	1	47	0.0	-69.02	378.36	5.95	-63.07
COCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012458687	0	54	0.0	-75.44	411.27	6.00	-69.44
COCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012458687	1	54	0.0	-75.08	410.96	6.00	-69.08
CC(C)C(C)(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458688	0	49	0.0	-75.15	354.99	4.99	-70.16
CC(C)C(C)(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458688	1	49	0.0	-67.73	347.36	4.82	-62.91
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458689	0	45	0.0	-75.93	333.89	7.04	-68.89
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458689	1	45	0.0	-82.56	339.95	7.06	-75.50
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458690	0	48	0.0	-75.04	349.87	6.56	-68.48
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458690	1	48	0.0	-74.58	350.09	6.54	-68.04
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458691	0	53	0.0	-56.53	400.38	9.81	-46.72
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458691	1	53	0.0	-54.01	396.69	9.67	-44.34
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458692	0	56	0.0	-72.23	414.22	7.19	-65.04
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458692	1	56	0.0	-68.65	408.38	7.08	-61.57
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458693	0	53	0.0	-73.08	415.53	7.71	-65.37
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458693	1	53	0.0	-68.84	408.87	7.62	-61.22
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458694	0	53	0.0	-75.24	415.29	7.77	-67.47
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458694	1	53	0.0	-73.09	415.47	7.74	-65.35
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1CC2CCC1C2	REAL300012458695	0	54	0.0	-74.22	393.22	6.39	-67.83
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1CC2CCC1C2	REAL300012458695	1	54	0.0	-70.83	387.52	6.41	-64.42
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458696	0	56	0.0	-74.94	414.26	7.20	-67.74
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458696	1	56	0.0	-69.12	408.68	7.02	-62.10
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458697	0	56	0.0	-71.99	413.63	7.15	-64.84
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458697	1	56	0.0	-68.56	407.81	7.03	-61.53
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458698	0	54	0.0	-60.24	394.61	7.81	-52.43
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458698	1	54	0.0	-56.57	388.75	7.68	-48.89
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458699	0	54	0.0	-76.17	385.42	7.51	-68.66
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458699	1	54	0.0	-75.24	384.53	7.49	-67.75
COC1=CC=C(CC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])C=C1	REAL300012458700	0	54	0.0	-72.79	421.75	6.30	-66.49
COC1=CC=C(CC(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])C=C1	REAL300012458700	1	54	0.0	-69.50	416.17	6.12	-63.38
C=CCSCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458701	0	48	0.0	-69.30	391.19	5.82	-63.48
C=CCSCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458701	1	48	0.0	-66.24	386.05	5.69	-60.55
N#CC1=CC=C(CC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])C=C1	REAL300012458702	0	51	0.0	-74.91	413.38	7.34	-67.57
N#CC1=CC=C(CC(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])C=C1	REAL300012458702	1	51	0.0	-67.96	406.66	7.23	-60.73
CCC(C(=O)[O-])N(CC)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458703	0	49	0.0	-71.61	358.84	6.73	-64.88
CCC(C(=O)[O-])N(CC)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458703	1	49	0.0	-66.38	352.51	6.51	-59.87
COC1(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])CCC1	REAL300012458704	0	51	0.0	-78.93	382.54	3.83	-75.10
COC1(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])CCC1	REAL300012458704	1	51	0.0	-72.49	376.50	3.73	-68.76
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CCC(C(F)F)CC1	REAL300012458705	0	53	0.0	-70.68	382.60	6.21	-64.47
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CCC(C(F)F)CC1	REAL300012458705	1	53	0.0	-70.37	383.02	6.10	-64.27
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CCC2=CC=CC=C2C1	REAL300012458706	0	54	0.0	-76.33	401.62	8.05	-68.28
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CCC2=CC=CC=C2C1	REAL300012458706	1	54	0.0	-71.31	395.78	7.95	-63.36
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CC(C(F)F)C1	REAL300012458707	0	47	0.0	-74.00	360.44	5.51	-68.49
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CC(C(F)F)C1	REAL300012458707	1	47	0.0	-74.18	361.16	5.37	-68.81
CC(C)(C)C1=CC=C(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])C=C1	REAL300012458709	0	59	0.0	-73.17	446.23	8.40	-64.77
CC(C)(C)C1=CC=C(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])C=C1	REAL300012458709	1	59	0.0	-73.60	446.41	8.35	-65.25
CC(C)C1=CC=C(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])C=C1	REAL300012458710	0	56	0.0	-73.13	430.27	8.01	-65.12
CC(C)C1=CC=C(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])C=C1	REAL300012458710	1	56	0.0	-73.21	430.19	8.03	-65.18
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458711	0	44	0.0	-70.29	332.91	5.95	-64.34
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458711	1	44	0.0	-77.80	339.18	5.95	-71.85
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458712	0	46	0.0	-56.22	341.37	6.71	-49.51
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458712	1	46	0.0	-56.82	342.00	6.59	-50.23
CC1(C)CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1C(=O)[O-]	REAL300012458713	0	50	0.0	-72.91	358.84	6.81	-66.10
CC1(C)CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)C1C(=O)[O-]	REAL300012458713	1	50	0.0	-73.95	359.65	6.69	-67.26
CCOC1=CC=C(C(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C(=O)[O-])C=C1	REAL300012458714	0	54	0.0	-73.03	421.39	6.29	-66.74
CCOC1=CC=C(C(NC(=O)NCC2C[N@H+]3CCCC3CO2)C(=O)[O-])C=C1	REAL300012458714	1	54	0.0	-69.14	415.56	6.18	-62.96
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458715	0	54	0.0	-73.31	381.41	8.48	-64.83
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458715	1	54	0.0	-73.62	383.27	8.38	-65.24
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCC2=CC=CC=C21	REAL300012458716	0	54	0.0	-70.16	398.33	7.59	-62.57
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1CCC2=CC=CC=C21	REAL300012458716	1	54	0.0	-72.67	405.19	7.94	-64.73
CC(COC1=CC=CC=C1)(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458717	0	54	0.0	-80.33	412.72	7.04	-73.29
CC(COC1=CC=CC=C1)(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458717	1	54	0.0	-73.35	406.89	6.94	-66.41
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458718	0	50	0.0	-69.81	400.76	7.20	-62.61
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458718	1	50	0.0	-71.37	400.46	6.88	-64.49
CC(C)CCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458719	0	52	0.0	-72.08	394.69	5.98	-66.10
CC(C)CCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458719	1	52	0.0	-68.64	388.87	5.87	-62.77
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458720	0	51	0.0	-56.63	373.50	7.31	-49.32
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458720	1	51	0.0	-56.70	374.80	7.16	-49.54
O=C([O-])C(CC1CCOC1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458721	0	51	0.0	-76.59	387.68	4.00	-72.59
O=C([O-])C(CC1CCOC1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458721	1	51	0.0	-73.78	387.78	4.04	-69.74
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300012458722	0	48	0.0	-76.05	376.00	7.00	-69.05
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300012458722	1	48	0.0	-77.90	375.79	7.10	-70.80
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CCCC2CC21	REAL300012458723	0	51	0.0	-77.27	369.41	6.79	-70.48
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CCCC2CC21	REAL300012458723	1	51	0.0	-70.45	366.29	6.39	-64.06
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CCC2CC21	REAL300012458724	0	48	0.0	-75.72	358.17	5.67	-70.05
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CCC2CC21	REAL300012458724	1	48	0.0	-71.29	352.16	5.58	-65.71
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CC2(CCC2)C1	REAL300012458725	0	51	0.0	-77.74	377.94	6.25	-71.49
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CC2(CCC2)C1	REAL300012458725	1	51	0.0	-72.13	377.99	6.39	-65.74
CN(C(=O)NCC1C[N@@H+]2CCCC2CO1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012458726	0	53	0.0	-74.57	403.14	8.89	-65.68
CN(C(=O)NCC1C[N@H+]2CCCC2CO1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012458726	1	53	0.0	-68.10	395.31	8.75	-59.35
O=C([O-])C1CC2(CN1C(=O)NCC1C[N@@H+]3CCCC3CO1)CCCCC2	REAL300012458727	0	57	0.0	-56.09	403.35	8.28	-47.81
O=C([O-])C1CC2(CN1C(=O)NCC1C[N@H+]3CCCC3CO1)CCCCC2	REAL300012458727	1	57	0.0	-56.55	403.84	8.13	-48.42
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCCC1	REAL300012458728	0	50	0.0	-76.00	370.33	5.45	-70.55
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1CCCC1	REAL300012458728	1	50	0.0	-75.70	375.42	5.63	-70.07
CO[C@H](C)[C@H](NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458729	0	47	0.0	-73.34	364.13	3.17	-70.17
CO[C@H](C)[C@H](NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458729	1	47	0.0	-70.05	358.31	3.06	-66.99
CC1[C@@H](C)[C@@]1(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458730	0	47	0.0	-76.44	348.54	5.18	-71.26
CC1[C@@H](C)[C@@]1(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458730	1	47	0.0	-69.81	342.48	5.06	-64.75
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458731	0	50	0.0	-59.55	391.05	8.74	-50.81
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458731	1	50	0.0	-58.03	379.13	8.34	-49.69
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300012458732	0	50	0.0	-56.70	366.39	6.62	-50.08
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300012458732	1	50	0.0	-56.95	366.89	6.53	-50.42
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458733	0	51	0.0	-77.78	393.06	9.10	-68.68
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458733	1	51	0.0	-70.97	387.31	8.99	-61.98
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458734	0	47	0.0	-79.07	354.98	6.98	-72.09
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458734	1	47	0.0	-73.22	349.74	7.12	-66.10
O=C([O-])C1N(C(=O)NCC2C[N@@H+]3CCCC3CO2)CCC1(F)F	REAL300012458735	0	44	0.0	-77.96	342.73	6.01	-71.95
O=C([O-])C1N(C(=O)NCC2C[N@H+]3CCCC3CO2)CCC1(F)F	REAL300012458735	1	44	0.0	-76.93	339.64	5.55	-71.38
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458736	0	50	0.0	-72.51	398.91	7.00	-65.51
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458736	1	50	0.0	-66.32	392.80	6.97	-59.35
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458737	0	47	0.0	-71.50	382.55	5.89	-65.61
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458737	1	47	0.0	-72.28	383.36	5.90	-66.38
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458738	0	47	0.0	-70.78	362.07	6.50	-64.28
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458738	1	47	0.0	-66.61	356.16	6.40	-60.21
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CC2(CC(F)(F)C2)C1	REAL300012458739	0	51	0.0	-78.38	397.42	6.66	-71.72
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CC2(CC(F)(F)C2)C1	REAL300012458739	1	51	0.0	-76.13	396.83	6.72	-69.41
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458740	0	55	0.0	-71.89	415.41	8.03	-63.86
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458740	1	55	0.0	-79.26	419.90	8.30	-70.96
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458741	0	47	0.0	-71.50	382.55	5.89	-65.61
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458741	1	47	0.0	-72.28	383.36	5.90	-66.38
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458742	0	51	0.0	-83.22	371.82	7.20	-76.02
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458742	1	51	0.0	-80.38	370.13	6.92	-73.46
COCCCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458743	0	50	0.0	-71.71	389.30	3.76	-67.95
COCCCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458743	1	50	0.0	-67.51	383.23	3.71	-63.80
CCCC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458744	0	49	0.0	-68.96	367.24	6.89	-62.07
CCCC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458744	1	49	0.0	-71.59	365.98	6.71	-64.88
CCOCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458745	0	47	0.0	-73.91	367.84	3.13	-70.78
CCOCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458745	1	47	0.0	-74.04	367.73	3.17	-70.87
CC(C)(C)CC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458746	0	52	0.0	-74.86	384.72	6.38	-68.48
CC(C)(C)CC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458746	1	52	0.0	-74.90	384.88	6.34	-68.56
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C1CCCCO1	REAL300012458747	0	51	0.0	-77.38	385.82	4.51	-72.87
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C1CCCCO1	REAL300012458747	1	51	0.0	-71.37	379.94	4.35	-67.02
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CC2=CC=CC=C2C1	REAL300012458748	0	51	0.0	-77.94	389.75	7.25	-70.69
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CCCC3CO2)CC2=CC=CC=C2C1	REAL300012458748	1	51	0.0	-71.12	383.73	7.21	-63.91
C[C@H]1OCCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)[C@@H]1C(=O)[O-]	REAL300012458749	0	48	0.0	-73.27	349.56	5.38	-67.89
C[C@H]1OCCN(C(=O)NCC2C[N@H+]3CCCC3CO2)[C@@H]1C(=O)[O-]	REAL300012458749	1	48	0.0	-73.44	349.46	5.37	-68.07
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458750	0	50	0.0	-73.82	375.40	6.81	-67.01
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458750	1	50	0.0	-69.17	369.45	6.77	-62.40
N#CCCC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458751	0	44	0.0	-72.19	354.15	4.44	-67.75
N#CCCC(NC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300012458751	1	44	0.0	-72.87	354.87	4.46	-68.41
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CCCC2CO1)C12CC3CC(CC(C3)C1)C2	REAL300012458752	0	61	0.0	-78.82	426.01	8.10	-70.72
O=C([O-])C(NC(=O)NCC1C[N@H+]2CCCC2CO1)C12CC3CC(CC(C3)C1)C2	REAL300012458752	1	61	0.0	-77.71	425.00	8.06	-69.65
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458753	0	53	0.0	-79.00	422.46	7.19	-71.81
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458753	1	53	0.0	-72.29	416.39	7.14	-65.15
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458754	0	47	0.0	-60.41	372.72	6.88	-53.53
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458754	1	47	0.0	-60.98	361.29	6.52	-54.46
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458755	0	58	0.0	-81.37	406.40	7.35	-74.02
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458755	1	58	0.0	-74.45	399.91	7.59	-66.86
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300012458756	0	49	0.0	-69.63	404.29	5.56	-64.07
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300012458756	1	49	0.0	-69.13	398.51	5.48	-63.65
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300012458757	0	51	0.0	-69.21	380.75	5.90	-63.31
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300012458757	1	51	0.0	-80.30	387.88	5.83	-74.47
C[C@H]1C2=CC=CC=C2O[C@H]1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012458936	0	58	0.0	-69.94	442.80	7.77	-62.17
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CCC(CC2)O3)CC1	REAL300012459179	0	55	0.0	-67.27	409.16	5.82	-61.45
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCC2)CC1	REAL300012459348	0	53	0.0	-61.89	401.00	7.26	-54.63
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2C=CCC2)CC1	REAL300012459514	0	57	0.0	-58.49	424.92	8.21	-50.28
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3CCCC3O2)CC1	REAL300012460031	0	58	0.0	-67.38	431.37	6.62	-60.76
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC=CC=N2)CC1	REAL300012460530	0	48	0.0	-67.09	381.15	4.64	-62.45
CC(C)OC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCC1	REAL300012461849	0	60	0.0	-62.94	445.52	7.42	-55.52
C=CC(C)(C)CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012462295	0	59	0.0	-58.05	432.95	7.80	-50.25
COCC(C)(C)CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012462519	0	59	0.0	-58.64	434.39	5.80	-52.84
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC(C)(C)CO2)CC1	REAL300012462749	0	57	0.0	-62.89	428.76	5.87	-57.02
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(C(C)(C)C)S2)CC1	REAL300012463408	0	59	0.0	-61.86	462.47	9.18	-52.68
COC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1Cl	REAL300012464142	0	54	0.0	-65.93	436.71	7.27	-58.66
CC1=CC(F)=CC=C1[C@@H](C)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012464429	0	56	0.0	-61.97	429.38	8.84	-53.13
CC1=CC(F)=CC=C1[C@H](C)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012464715	0	56	0.0	-64.76	432.43	9.24	-55.52
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=C(F)C=CC=C1F	REAL300012465012	0	53	0.0	-63.19	412.02	8.17	-55.02
COC1=CC=C([C@H](C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1C	REAL300012465322	0	60	0.0	-63.44	458.26	8.29	-55.15
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC(C3CC3)=NO2)CC1	REAL300012465728	0	53	0.0	-66.32	418.27	7.07	-59.25
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC(C(F)(F)F)O2)CC1	REAL300012466937	0	54	0.0	-63.70	427.61	5.87	-57.83
C[C@@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300012467242	0	55	0.0	-64.20	436.89	8.93	-55.27
C[C@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300012467793	0	55	0.0	-63.47	436.93	8.92	-54.55
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CC(C)(C)CO2)CC1	REAL300012468334	0	60	0.0	-65.65	449.67	6.59	-59.06
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3CC3C2)CC1	REAL300012468539	0	54	0.0	-61.55	407.13	7.84	-53.71
CSC1CCC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012468800	0	60	0.0	-64.46	447.77	8.59	-55.87
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3CCC(C2)S3)CC1	REAL300012469156	0	58	0.0	-57.77	423.42	8.19	-49.58
COC1=CC=C(F)C=C1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012469466	0	57	0.0	-64.79	447.40	7.61	-57.18
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@H]2CCCO2)CC1	REAL300012469688	0	54	0.0	-59.30	404.33	5.29	-54.01
CC1CC1C1CC1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012469883	0	57	0.0	-57.88	426.70	8.44	-49.44
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3(CCC3)CO2)CC1	REAL300012470143	0	61	0.0	-66.00	451.95	7.29	-58.71
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@@H]2C[C@H]2C2CC2)CC1	REAL300012470375	0	57	0.0	-61.64	437.94	8.99	-52.65
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@]23C[C@H]2COC3)CC1	REAL300012470561	0	52	0.0	-59.38	391.75	5.10	-54.28
CC1CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012470712	0	53	0.0	-62.49	395.91	7.19	-55.30
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CC2CCCC3)CC1	REAL300012470878	0	57	0.0	-62.02	419.12	8.39	-53.63
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2C3(CC3)C23CC3)CC1	REAL300012471623	0	55	0.0	-62.97	427.95	8.93	-54.04
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2COC3(CCCC3)C2)CC1	REAL300012471851	0	58	0.0	-63.04	427.75	6.53	-56.51
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCC3CC32)CC1	REAL300012472076	0	57	0.0	-61.78	425.57	8.45	-53.33
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C(C)(C)C	REAL300012472270	0	58	0.0	-58.32	414.42	7.08	-51.24
CSC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCCCC1	REAL300012472839	0	60	0.0	-65.06	441.62	8.46	-56.60
COCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCOC1	REAL300012473153	0	61	0.0	-61.12	449.27	5.17	-55.95
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3(CCC3)CO2)CC1	REAL300012473415	0	58	0.0	-62.52	430.27	6.31	-56.21
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2CCC3=C(F)C=CC=C32)CC1	REAL300012473978	0	54	0.0	-61.98	420.52	8.72	-53.26
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CCC3=C(F)C=CC=C32)CC1	REAL300012474265	0	54	0.0	-63.87	419.48	8.65	-55.22
CC1CC2(CCC(CNC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])O2)CO1	REAL300012474858	0	62	0.0	-71.92	463.49	5.52	-66.40
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2CC2)CC1	REAL300012475508	0	51	0.0	-67.02	397.09	5.24	-61.78
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2(C3=CC=CC=C3)CC2)CC1	REAL300012475748	0	60	0.0	-63.08	464.26	10.15	-52.93
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CCOC3(CCC3)C2)CC1	REAL300012476058	0	64	0.0	-63.82	457.14	7.69	-56.13
COC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCSC1	REAL300012476345	0	55	0.0	-62.32	420.53	5.69	-56.63
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CN(C)N=N1	REAL300012476863	0	52	0.0	-72.71	407.61	4.78	-67.93
CC1COCC1NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012477250	0	51	0.0	-63.02	382.20	4.91	-58.11
CC(C)OC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCOC1	REAL300012477492	0	61	0.0	-64.46	453.10	5.41	-59.05
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC3=C(COCC3)S2)CC1	REAL300012478401	0	54	0.0	-67.68	430.60	4.75	-62.93
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@]23C[C@H]2CCC3)CC1	REAL300012478612	0	54	0.0	-62.54	405.71	7.92	-54.62
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC=CCC2)CC1	REAL300012478799	0	57	0.0	-61.99	419.32	8.31	-53.68
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCC3(CCC3)O2)CC1	REAL300012479348	0	61	0.0	-63.07	457.33	7.53	-55.54
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3CCC(C3)C2)CC1	REAL300012479580	0	57	0.0	-60.36	391.97	9.07	-51.29
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3C=CC2CC3)CC1	REAL300012479788	0	55	0.0	-62.50	404.69	7.87	-54.63
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2CCOCC2)CC1	REAL300012480045	0	58	0.0	-63.34	434.60	4.50	-58.84
CC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1F	REAL300012480300	0	53	0.0	-61.32	417.90	8.13	-53.19
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2CCOC2)CC1	REAL300012480540	0	55	0.0	-61.87	416.94	3.68	-58.19
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NOC3=C2COCC3)CC1	REAL300012480813	0	54	0.0	-68.54	420.49	5.11	-63.43
CCOCCOCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012481065	0	57	0.0	-64.40	436.99	4.45	-59.95
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC3=C2OCC3)CC1	REAL300012481341	0	55	0.0	-68.11	426.93	7.24	-60.87
CC1=CC(F)=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(F)=C1	REAL300012481935	0	53	0.0	-61.96	418.00	7.90	-54.06
COCC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C(C)C	REAL300012482210	0	59	0.0	-58.65	428.69	6.21	-52.44
CCC1=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)=NO1	REAL300012482449	0	55	0.0	-64.42	429.80	6.97	-57.45
CN1N=C(C2CC2)C=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012482723	0	57	0.0	-64.02	443.51	7.05	-56.97
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC(C)(C)OC2(C)C)CC1	REAL300012483378	0	63	0.0	-61.09	455.57	6.65	-54.44
CC(C)C[C@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483511	0	52	0.0	-74.39	375.70	5.56	-68.83
CC(C)C[C@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483511	1	52	0.0	-73.18	378.65	4.93	-68.25
C=CCOCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483512	0	51	0.0	-73.56	396.73	3.64	-69.92
C=CCOCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483512	1	51	0.0	-75.75	385.80	3.31	-72.44
C=CC(C)C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483513	0	50	0.0	-69.98	378.94	4.97	-65.01
C=CC(C)C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483513	1	50	0.0	-73.93	380.02	5.21	-68.72
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCOCC1	REAL300012483514	0	54	0.0	-71.46	397.20	3.88	-67.58
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCOCC1	REAL300012483514	1	54	0.0	-77.38	399.69	4.09	-73.29
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC=C(F)C(F)=C1	REAL300012483515	0	50	0.0	-66.25	398.62	6.14	-60.11
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC=C(F)C(F)=C1	REAL300012483515	1	50	0.0	-70.70	403.46	6.51	-64.19
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC=C(Cl)C(F)=C1	REAL300012483516	0	50	0.0	-66.05	408.51	6.59	-59.46
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC=C(Cl)C(F)=C1	REAL300012483516	1	50	0.0	-70.80	413.94	6.93	-63.87
COC1CCN(C(=O)NCC2CC[N@@H+]2C2CCOCC2)C(C(=O)[O-])C1	REAL300012483517	0	54	0.0	-81.46	390.73	6.08	-75.38
COC1CCN(C(=O)NCC2CC[N@H+]2C2CCOCC2)C(C(=O)[O-])C1	REAL300012483517	1	54	0.0	-84.95	395.26	6.44	-78.51
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCCOC1	REAL300012483518	0	54	0.0	-70.05	394.44	3.68	-66.37
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCCOC1	REAL300012483518	1	54	0.0	-72.44	387.17	3.62	-68.82
CC1CCN(C(=O)NCC2CC[N@@H+]2C2CCOCC2)C(C(=O)[O-])C1	REAL300012483519	0	53	0.0	-50.11	377.52	6.24	-43.87
CC1CCN(C(=O)NCC2CC[N@H+]2C2CCOCC2)C(C(=O)[O-])C1	REAL300012483519	1	53	0.0	-84.16	385.49	7.95	-76.21
CC1=CC(C(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])=CC=C1F	REAL300012483520	0	53	0.0	-68.71	412.61	6.72	-61.99
CC1=CC(C(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])=CC=C1F	REAL300012483520	1	53	0.0	-71.21	418.07	7.06	-64.15
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC=C2OCCC2=C1	REAL300012483521	0	55	0.0	-71.68	422.04	5.79	-65.89
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC=C2OCCC2=C1	REAL300012483521	1	55	0.0	-74.58	411.26	5.44	-69.14
CC1=CC(C(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])=CC(C)=C1	REAL300012483522	0	56	0.0	-72.72	428.97	7.27	-65.45
CC1=CC(C(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])=CC(C)=C1	REAL300012483522	1	56	0.0	-74.88	433.98	7.77	-67.11
CC1=CC=C(C(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])C=C1C	REAL300012483523	0	56	0.0	-72.32	424.33	7.23	-65.09
CC1=CC=C(C(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])C=C1C	REAL300012483523	1	56	0.0	-74.94	429.80	7.56	-67.38
CC1=CC=CC(C(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])=C1C	REAL300012483524	0	56	0.0	-73.17	416.28	6.95	-66.22
CC1=CC=CC(C(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])=C1C	REAL300012483524	1	56	0.0	-74.41	405.35	6.62	-67.79
COC1=CC=C(C(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])C=C1F	REAL300012483525	0	54	0.0	-70.01	421.87	5.32	-64.69
COC1=CC=C(C(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])C=C1F	REAL300012483525	1	54	0.0	-74.48	426.47	5.75	-68.73
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483526	0	49	0.0	-58.58	369.21	6.47	-52.11
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483526	1	49	0.0	-53.73	359.63	6.15	-47.58
CC(C(=O)[O-])N(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCC1	REAL300012483527	0	53	0.0	-60.60	381.32	6.70	-53.90
CC(C(=O)[O-])N(C(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCC1	REAL300012483527	1	53	0.0	-60.03	386.72	7.16	-52.87
CCCN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C(COC)C(=O)[O-]	REAL300012483528	0	56	0.0	-70.18	408.40	6.14	-64.04
CCCN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C(COC)C(=O)[O-]	REAL300012483528	1	56	0.0	-73.98	398.59	5.97	-68.01
CCCN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C(CC)C(=O)[O-]	REAL300012483529	0	55	0.0	-49.67	393.90	8.10	-41.57
CCCN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C(CC)C(=O)[O-]	REAL300012483529	1	55	0.0	-71.55	385.92	7.06	-64.49
CC(C)C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483530	0	49	0.0	-71.21	362.09	4.20	-67.01
CC(C)C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483530	1	49	0.0	-73.63	356.22	4.10	-69.53
O=C([O-])C1CCCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483531	0	50	0.0	-50.03	363.37	5.88	-44.15
O=C([O-])C1CCCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483531	1	50	0.0	-55.92	372.02	5.80	-50.12
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC=C(Cl)C=C1	REAL300012483532	0	50	0.0	-70.40	389.05	6.82	-63.58
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC=C(Cl)C=C1	REAL300012483532	1	50	0.0	-70.80	408.08	6.88	-63.92
O=C([O-])C1CSCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483533	0	48	0.0	-82.93	351.18	7.36	-75.57
O=C([O-])C1CSCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483533	1	48	0.0	-81.16	365.39	7.29	-73.87
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCCCC1	REAL300012483534	0	53	0.0	-76.17	384.86	6.50	-69.67
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCCCC1	REAL300012483534	1	53	0.0	-76.68	384.57	6.41	-70.27
O=C([O-])C1CCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483535	0	47	0.0	-79.42	347.06	5.87	-73.55
O=C([O-])C1CCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483535	1	47	0.0	-80.34	354.36	5.78	-74.56
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCCC1	REAL300012483536	0	50	0.0	-77.58	356.66	5.66	-71.92
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCCC1	REAL300012483536	1	50	0.0	-77.23	356.00	5.66	-71.57
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCCCCC1	REAL300012483537	0	56	0.0	-78.51	376.82	7.44	-71.07
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCCCCC1	REAL300012483537	1	56	0.0	-77.38	390.21	7.07	-70.31
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483538	0	53	0.0	-75.45	394.92	7.28	-68.17
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483538	1	53	0.0	-75.93	397.60	6.54	-69.39
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483539	0	53	0.0	-58.40	407.21	8.71	-49.69
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483539	1	53	0.0	-56.13	396.66	8.39	-47.74
O=C([O-])[C@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC=CC=C1	REAL300012483540	0	50	0.0	-71.54	385.91	6.02	-65.52
O=C([O-])[C@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC=CC=C1	REAL300012483540	1	50	0.0	-74.02	375.12	5.67	-68.35
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC=CC=C1	REAL300012483541	0	50	0.0	-73.01	386.25	5.92	-67.09
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC=CC=C1	REAL300012483541	1	50	0.0	-74.49	375.36	5.59	-68.90
CC(C)C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483542	0	49	0.0	-71.21	362.09	4.20	-67.01
CC(C)C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483542	1	49	0.0	-73.63	356.22	4.10	-69.53
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483543	0	53	0.0	-75.45	394.92	7.28	-68.17
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483543	1	53	0.0	-75.93	397.60	6.54	-69.39
CCC(C)C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483544	0	52	0.0	-70.89	379.91	4.90	-65.99
CCC(C)C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483544	1	52	0.0	-74.12	370.42	4.48	-69.64
O=C([O-])C1CCCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483545	0	50	0.0	-50.03	363.37	5.88	-44.15
O=C([O-])C1CCCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483545	1	50	0.0	-55.92	372.02	5.80	-50.12
CCCC(C)(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483546	0	52	0.0	-70.17	375.74	4.91	-65.26
CCCC(C)(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483546	1	52	0.0	-72.45	380.85	5.41	-67.04
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483547	0	49	0.0	-71.92	357.09	6.82	-65.10
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483547	1	49	0.0	-55.95	350.01	5.61	-50.34
O=C([O-])CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CC1	REAL300012483548	0	47	0.0	-60.64	347.02	7.53	-53.11
O=C([O-])CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C1CC1	REAL300012483548	1	47	0.0	-57.16	337.00	7.22	-49.94
C=CCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483549	0	47	0.0	-54.05	345.88	6.35	-47.70
C=CCN(CC(=O)[O-])C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483549	1	47	0.0	-56.90	365.99	6.67	-50.23
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483550	0	52	0.0	-57.99	384.14	6.71	-51.28
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483550	1	52	0.0	-54.82	374.19	6.52	-48.30
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483551	0	54	0.0	-47.98	400.48	8.37	-39.61
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483551	1	54	0.0	-50.71	406.81	8.51	-42.20
CC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)(C(=O)[O-])C1CC1	REAL300012483552	0	50	0.0	-71.73	363.74	4.92	-66.81
CC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)(C(=O)[O-])C1CC1	REAL300012483552	1	50	0.0	-74.67	368.85	5.41	-69.26
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC=CS1	REAL300012483553	0	47	0.0	-70.15	377.77	5.04	-65.11
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC=CS1	REAL300012483553	1	47	0.0	-71.78	367.33	4.74	-67.04
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCCCC1	REAL300012483554	0	53	0.0	-76.17	384.86	6.50	-69.67
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCCCC1	REAL300012483554	1	53	0.0	-76.68	384.57	6.41	-70.27
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483555	0	53	0.0	-56.31	423.94	9.23	-47.08
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483555	1	53	0.0	-54.86	428.25	9.62	-45.24
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483556	0	49	0.0	-71.92	357.09	6.82	-65.10
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483556	1	49	0.0	-55.95	350.01	5.61	-50.34
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483557	0	49	0.0	-58.58	369.21	6.47	-52.11
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483557	1	49	0.0	-53.73	359.63	6.15	-47.58
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483558	0	52	0.0	-72.97	381.36	4.82	-68.15
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483558	1	52	0.0	-73.95	386.46	5.25	-68.70
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCCC1	REAL300012483559	0	50	0.0	-77.58	356.66	5.66	-71.92
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCCC1	REAL300012483559	1	50	0.0	-77.23	356.00	5.66	-71.57
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483560	0	53	0.0	-56.53	413.62	8.78	-47.75
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483560	1	53	0.0	-55.18	417.92	9.16	-46.02
CCC(C)(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483561	0	49	0.0	-73.11	340.92	4.58	-68.53
CCC(C)(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483561	1	49	0.0	-72.16	359.36	4.66	-67.50
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CC2=CC=CC=C2C1	REAL300012483562	0	54	0.0	-75.62	411.04	7.62	-68.00
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CC2=CC=CC=C2C1	REAL300012483562	1	54	0.0	-77.05	394.83	6.86	-70.19
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC(F)=CC=C1F	REAL300012483563	0	50	0.0	-72.41	396.32	6.10	-66.31
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC(F)=CC=C1F	REAL300012483563	1	50	0.0	-73.79	386.65	5.82	-67.97
CC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012483564	0	53	0.0	-72.10	394.13	6.59	-65.51
CC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012483564	1	53	0.0	-74.37	399.05	7.12	-67.25
CCCCCCC(C)(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483565	0	61	0.0	-74.36	426.92	7.67	-66.69
CCCCCCC(C)(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483565	1	61	0.0	-72.87	429.64	6.96	-65.91
CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012483566	0	56	0.0	-72.69	418.56	9.02	-63.67
CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012483566	1	56	0.0	-72.98	407.27	8.55	-64.43
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC=C(Cl)C=C1	REAL300012483567	0	50	0.0	-70.40	389.05	6.82	-63.58
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC=C(Cl)C=C1	REAL300012483567	1	50	0.0	-70.80	408.08	6.88	-63.92
O=C([O-])C1COCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483568	0	48	0.0	-79.94	355.59	4.77	-75.17
O=C([O-])C1COCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483568	1	48	0.0	-51.60	362.60	3.56	-48.04
CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C1(C(=O)[O-])CCCCC1	REAL300012483569	0	56	0.0	-80.92	393.82	7.90	-73.02
CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C1(C(=O)[O-])CCCCC1	REAL300012483569	1	56	0.0	-77.32	394.00	7.51	-69.81
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CC1	REAL300012483570	0	47	0.0	-74.85	346.53	4.75	-70.10
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1CC1	REAL300012483570	1	47	0.0	-73.65	348.91	4.06	-69.59
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483571	0	56	0.0	-59.67	429.11	9.49	-50.18
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483571	1	56	0.0	-57.51	419.74	9.18	-48.33
CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012483572	0	53	0.0	-70.00	393.30	7.51	-62.49
CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012483572	1	53	0.0	-74.83	399.68	8.61	-66.22
COCCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483573	0	50	0.0	-59.16	378.97	4.89	-54.27
COCCN(CC(=O)[O-])C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483573	1	50	0.0	-54.46	363.83	4.88	-49.58
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCC2=CC=CC=C21	REAL300012483574	0	54	0.0	-75.52	400.87	6.98	-68.54
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCC2=CC=CC=C21	REAL300012483574	1	54	0.0	-78.68	390.02	6.70	-71.98
O=C([O-])[C@H]1CCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483575	0	47	0.0	-78.51	354.83	5.55	-72.96
O=C([O-])[C@H]1CCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483575	1	47	0.0	-80.17	354.35	5.77	-74.40
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483576	0	50	0.0	-84.09	346.56	7.12	-76.97
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483576	1	50	0.0	-54.05	372.21	5.84	-48.21
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483577	0	47	0.0	-79.55	354.49	6.23	-73.32
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483577	1	47	0.0	-79.99	353.41	6.23	-73.76
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCC1	REAL300012483578	0	47	0.0	-75.11	351.50	4.51	-70.60
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCC1	REAL300012483578	1	47	0.0	-78.10	356.12	5.01	-73.09
C=CCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483579	0	47	0.0	-73.67	349.82	4.72	-68.95
C=CCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483579	1	47	0.0	-72.65	352.49	3.97	-68.68
CC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483580	0	50	0.0	-77.80	365.73	6.45	-71.35
CC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483580	1	50	0.0	-80.12	355.04	5.99	-74.13
O=C([O-])C1CCCCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483581	0	53	0.0	-80.59	370.19	7.52	-73.07
O=C([O-])C1CCCCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483581	1	53	0.0	-81.41	378.94	7.98	-73.43
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CC1	REAL300012483582	0	47	0.0	-74.85	346.53	4.75	-70.10
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1CC1	REAL300012483582	1	47	0.0	-73.65	348.91	4.06	-69.59
CCCCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483583	0	52	0.0	-72.13	393.11	5.40	-66.73
CCCCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483583	1	52	0.0	-73.75	382.85	5.13	-68.62
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483584	0	56	0.0	-59.67	429.11	9.49	-50.18
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483584	1	56	0.0	-57.51	419.74	9.18	-48.33
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483585	0	50	0.0	-79.71	371.26	6.75	-72.96
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483585	1	50	0.0	-79.34	355.01	5.97	-73.37
O=C([O-])CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCCC1	REAL300012483586	0	53	0.0	-56.59	390.11	7.68	-48.91
O=C([O-])CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCCC1	REAL300012483586	1	53	0.0	-58.65	389.09	7.55	-51.10
COCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483587	0	47	0.0	-73.61	361.97	2.10	-71.51
COCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483587	1	47	0.0	-75.08	351.81	1.79	-73.29
CCCCCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483588	0	55	0.0	-72.11	414.61	6.18	-65.93
CCCCCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483588	1	55	0.0	-73.46	403.67	5.84	-67.62
CCC1CCC(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)(C(=O)[O-])CC1	REAL300012483589	0	59	0.0	-77.63	410.24	8.01	-69.62
CCC1CCC(NC(=O)NCC2CC[N@H+]2C2CCOCC2)(C(=O)[O-])CC1	REAL300012483589	1	59	0.0	-72.17	417.29	6.93	-65.24
O=C([O-])CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCOCC1	REAL300012483590	0	54	0.0	-58.08	392.09	5.57	-52.51
O=C([O-])CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCOCC1	REAL300012483590	1	54	0.0	-55.62	381.19	5.17	-50.45
CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C1(C(=O)[O-])CCCC1	REAL300012483591	0	53	0.0	-79.92	375.23	7.15	-72.77
CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C1(C(=O)[O-])CCCC1	REAL300012483591	1	53	0.0	-81.60	366.34	6.61	-74.99
CC(C(=O)[O-])N(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CC1	REAL300012483592	0	50	0.0	-59.51	360.93	6.32	-53.19
CC(C(=O)[O-])N(C(=O)NCC1CC[N@H+]1C1CCOCC1)C1CC1	REAL300012483592	1	50	0.0	-60.48	344.23	7.41	-53.07
CCC(C(=O)[O-])N(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CC1	REAL300012483593	0	53	0.0	-59.23	380.45	7.25	-51.98
CCC(C(=O)[O-])N(C(=O)NCC1CC[N@H+]1C1CCOCC1)C1CC1	REAL300012483593	1	53	0.0	-54.74	366.67	8.43	-46.31
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC=CC=C1Cl	REAL300012483594	0	50	0.0	-74.81	398.16	6.35	-68.46
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC=CC=C1Cl	REAL300012483594	1	50	0.0	-76.35	387.23	6.02	-70.33
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC=CC=C1F	REAL300012483595	0	50	0.0	-77.73	389.88	6.03	-71.70
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC=CC=C1F	REAL300012483595	1	50	0.0	-80.67	379.76	5.69	-74.98
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483596	0	54	0.0	-78.28	400.96	8.37	-69.91
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483596	1	54	0.0	-80.24	406.36	8.81	-71.43
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483597	0	53	0.0	-69.04	418.22	7.85	-61.19
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483597	1	53	0.0	-70.65	424.00	7.36	-63.29
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483598	0	59	0.0	-70.96	430.14	7.18	-63.78
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483598	1	59	0.0	-73.83	435.23	7.61	-66.22
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483599	0	56	0.0	-59.44	419.72	9.16	-50.28
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483599	1	56	0.0	-58.30	406.01	8.29	-50.01
CC1=CC=C(C(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])C=C1	REAL300012483600	0	53	0.0	-74.34	394.33	6.94	-67.40
CC1=CC=C(C(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])C=C1	REAL300012483600	1	53	0.0	-74.26	412.76	7.03	-67.23
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483601	0	46	0.0	-64.91	365.66	4.64	-60.27
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483601	1	46	0.0	-67.76	355.89	4.31	-63.45
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC2=CC=CC=C2C=C1	REAL300012483602	0	56	0.0	-73.06	431.89	8.28	-64.78
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC2=CC=CC=C2C=C1	REAL300012483602	1	56	0.0	-75.66	437.11	8.70	-66.96
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCSCC1	REAL300012483603	0	51	0.0	-74.04	368.87	6.46	-67.58
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCSCC1	REAL300012483603	1	51	0.0	-72.99	382.26	6.06	-66.93
COCC(C)(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483604	0	50	0.0	-74.47	372.49	3.45	-71.02
COCC(C)(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483604	1	50	0.0	-77.37	377.60	3.95	-73.42
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483605	0	53	0.0	-68.94	392.26	5.19	-63.75
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483605	1	53	0.0	-72.11	397.53	5.60	-66.51
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483606	0	52	0.0	-57.99	384.14	6.71	-51.28
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483606	1	52	0.0	-54.82	374.19	6.52	-48.30
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483607	0	59	0.0	-53.62	430.53	9.07	-44.55
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483607	1	59	0.0	-55.77	424.07	9.38	-46.39
O=C([O-])CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CC1	REAL300012483608	0	47	0.0	-60.64	347.02	7.53	-53.11
O=C([O-])CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C1CC1	REAL300012483608	1	47	0.0	-57.16	337.00	7.22	-49.94
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483609	0	49	0.0	-59.14	387.34	6.85	-52.29
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483609	1	49	0.0	-54.03	377.76	6.52	-47.51
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCOC1	REAL300012483610	0	48	0.0	-71.44	353.52	2.56	-68.88
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCOC1	REAL300012483610	1	48	0.0	-72.50	360.66	2.73	-69.77
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCCCC1	REAL300012483611	0	56	0.0	-71.92	403.05	6.15	-65.77
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCCCC1	REAL300012483611	1	56	0.0	-75.13	392.24	5.80	-69.33
CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C(COC1CCC1)C(=O)[O-]	REAL300012483612	0	57	0.0	-71.97	406.95	6.99	-64.98
CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C(COC1CCC1)C(=O)[O-]	REAL300012483612	1	57	0.0	-70.43	425.59	7.01	-63.42
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483613	0	57	0.0	-45.61	424.22	9.80	-35.81
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483613	1	57	0.0	-48.34	419.66	10.41	-37.93
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCOCC1	REAL300012483614	0	51	0.0	-77.15	362.60	4.27	-72.88
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCOCC1	REAL300012483614	1	51	0.0	-76.21	375.98	3.93	-72.28
C=CCCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483615	0	50	0.0	-71.12	383.59	5.21	-65.91
C=CCCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483615	1	50	0.0	-74.08	374.24	4.94	-69.14
O=C([O-])C(CF)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483616	0	43	0.0	-61.34	318.58	3.19	-58.15
O=C([O-])C(CF)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483616	1	43	0.0	-61.15	320.96	2.51	-58.64
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483617	0	56	0.0	-48.05	418.36	9.74	-38.31
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483617	1	56	0.0	-52.10	421.86	10.14	-41.96
CCC(CC)(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483618	0	52	0.0	-71.01	370.63	5.07	-65.94
CCC(CC)(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483618	1	52	0.0	-74.11	375.77	5.55	-68.56
COC1=CC=C(C(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])C=C1	REAL300012483619	0	54	0.0	-71.90	415.65	5.25	-66.65
COC1=CC=C(C(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])C=C1	REAL300012483619	1	54	0.0	-74.07	420.84	5.66	-68.41
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483620	0	52	0.0	-47.50	366.60	7.30	-40.20
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483620	1	52	0.0	-52.68	368.80	6.75	-45.93
CCC(COC)(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483621	0	53	0.0	-75.71	388.93	4.38	-71.33
CCC(COC)(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483621	1	53	0.0	-80.24	378.07	3.91	-76.33
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483622	0	56	0.0	-71.15	400.06	6.35	-64.80
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483622	1	56	0.0	-70.49	417.68	6.56	-63.93
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCS(=O)(=O)CC1	REAL300012483623	0	53	0.0	-79.48	387.70	2.75	-76.73
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCS(=O)(=O)CC1	REAL300012483623	1	53	0.0	-78.41	401.11	2.39	-76.02
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483624	0	50	0.0	-71.83	379.79	5.51	-66.32
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483624	1	50	0.0	-73.29	387.18	5.62	-67.67
COCCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483625	0	50	0.0	-71.96	382.95	2.95	-69.01
COCCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483625	1	50	0.0	-74.05	373.53	2.63	-71.42
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483626	0	55	0.0	-69.06	400.86	7.47	-61.59
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483626	1	55	0.0	-70.64	403.87	7.74	-62.90
O=C([O-])C(CC(F)F)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483627	0	46	0.0	-72.09	362.46	4.15	-67.94
O=C([O-])C(CC(F)F)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483627	1	46	0.0	-68.54	350.58	4.12	-64.42
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483628	0	56	0.0	-79.77	403.66	8.44	-71.33
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483628	1	56	0.0	-80.57	406.15	8.46	-72.11
CCCN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C(C)C(=O)[O-]	REAL300012483629	0	52	0.0	-49.07	380.52	7.44	-41.63
CCCN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C(C)C(=O)[O-]	REAL300012483629	1	52	0.0	-60.41	366.58	5.84	-54.57
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483630	0	56	0.0	-48.06	418.36	9.74	-38.32
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483630	1	56	0.0	-44.80	406.68	9.06	-35.74
CCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012483631	0	56	0.0	-75.20	398.45	7.88	-67.32
CCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012483631	1	56	0.0	-75.13	416.08	8.01	-67.12
COC1CCCC(C(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])C1	REAL300012483632	0	60	0.0	-75.41	424.25	5.81	-69.60
COC1CCCC(C(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])C1	REAL300012483632	1	60	0.0	-77.81	430.30	4.98	-72.83
O=C([O-])C(CCF)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483633	0	46	0.0	-71.35	356.71	4.01	-67.34
O=C([O-])C(CCF)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483633	1	46	0.0	-73.45	346.53	3.75	-69.70
COC1(CC(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])CCC1	REAL300012483634	0	57	0.0	-76.55	407.95	5.37	-71.18
COC1(CC(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])CCC1	REAL300012483634	1	57	0.0	-75.64	425.77	5.51	-70.13
O=C([O-])CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCOCC1	REAL300012483635	0	54	0.0	-58.08	392.09	5.57	-52.51
O=C([O-])CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCOCC1	REAL300012483635	1	54	0.0	-55.62	381.19	5.17	-50.45
O=C([O-])CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCCCC1	REAL300012483636	0	56	0.0	-54.83	398.86	8.06	-46.77
O=C([O-])CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCCCC1	REAL300012483636	1	56	0.0	-58.94	405.85	8.24	-50.70
C[C@H]1CC[C@@](NC(=O)NCC2CC[N@@H+]2C2CCOCC2)(C(=O)[O-])CC1	REAL300012483637	0	56	0.0	-77.58	398.73	6.88	-70.70
C[C@H]1CC[C@@](NC(=O)NCC2CC[N@H+]2C2CCOCC2)(C(=O)[O-])CC1	REAL300012483637	1	56	0.0	-78.02	384.31	7.13	-70.89
COC1=CC=CC(C(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])=C1	REAL300012483638	0	54	0.0	-74.72	415.15	5.25	-69.47
COC1=CC=CC(C(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])=C1	REAL300012483638	1	54	0.0	-76.60	420.66	5.73	-70.87
CC(CCF)(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483639	0	49	0.0	-67.22	360.83	4.30	-62.92
CC(CCF)(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483639	1	49	0.0	-70.08	365.94	4.81	-65.27
O=C([O-])C1C2=C(CCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1)OC=C2	REAL300012483640	0	51	0.0	-79.30	383.58	6.55	-72.75
O=C([O-])C1C2=C(CCN1C(=O)NCC1CC[N@H+]1C1CCOCC1)OC=C2	REAL300012483640	1	51	0.0	-81.20	388.99	6.98	-74.22
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483641	0	47	0.0	-75.31	350.00	5.80	-69.51
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483641	1	47	0.0	-74.19	367.36	5.92	-68.27
COC1=CC=CC([C@H](NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])=C1	REAL300012483642	0	54	0.0	-75.33	415.75	5.21	-70.12
COC1=CC=CC([C@H](NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])=C1	REAL300012483642	1	54	0.0	-76.89	404.84	4.88	-72.01
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2CC[N@@H+]2C2CCOCC2)C1	REAL300012483643	0	56	0.0	-52.94	421.69	6.07	-46.87
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2CC[N@H+]2C2CCOCC2)C1	REAL300012483643	1	56	0.0	-75.98	405.70	6.43	-69.55
COC1=CC=CC(CC(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])=C1	REAL300012483644	0	57	0.0	-70.70	437.66	6.25	-64.45
COC1=CC=CC(CC(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])=C1	REAL300012483644	1	57	0.0	-73.68	427.91	5.90	-67.78
CC1(C)CCCC(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)(C(=O)[O-])C1	REAL300012483645	0	59	0.0	-78.14	405.13	7.09	-71.05
CC1(C)CCCC(NC(=O)NCC2CC[N@H+]2C2CCOCC2)(C(=O)[O-])C1	REAL300012483645	1	59	0.0	-77.94	412.51	7.25	-70.69
O=C([O-])C12CC(C1)CN2C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483646	0	48	0.0	-86.03	347.42	7.09	-78.94
O=C([O-])C12CC(C1)CN2C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483646	1	48	0.0	-84.40	360.01	6.75	-77.65
COC1CN(C(=O)NCC2CC[N@@H+]2C2CCOCC2)C(C)(C(=O)[O-])C1	REAL300012483647	0	54	0.0	-80.24	404.58	5.71	-74.53
COC1CN(C(=O)NCC2CC[N@H+]2C2CCOCC2)C(C)(C(=O)[O-])C1	REAL300012483647	1	54	0.0	-80.55	404.12	5.73	-74.82
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483648	0	57	0.0	-69.06	414.58	5.53	-63.53
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483648	1	57	0.0	-71.60	421.40	5.73	-65.87
CC(C)(C)[C@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483649	0	52	0.0	-73.42	380.91	4.96	-68.46
CC(C)(C)[C@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483649	1	52	0.0	-74.21	386.04	5.40	-68.81
C=C(Cl)CC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483650	0	47	0.0	-69.92	365.26	5.32	-64.60
C=C(Cl)CC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483650	1	47	0.0	-74.72	369.39	4.63	-70.09
C=C(C)CC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483651	0	50	0.0	-74.81	369.68	5.57	-69.24
C=C(C)CC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483651	1	50	0.0	-73.58	372.76	4.70	-68.88
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483652	0	51	0.0	-85.12	370.56	7.19	-77.93
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483652	1	51	0.0	-85.37	374.10	7.67	-77.70
CC(CC1=CC=C(F)C=C1)(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483653	0	56	0.0	-71.62	417.97	7.20	-64.42
CC(CC1=CC=C(F)C=C1)(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483653	1	56	0.0	-73.83	407.14	6.79	-67.04
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483654	0	47	0.0	-73.52	367.20	6.37	-67.15
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483654	1	47	0.0	-72.23	360.24	6.06	-66.17
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483655	0	47	0.0	-77.81	360.64	6.29	-71.52
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483655	1	47	0.0	-78.33	359.70	6.30	-72.03
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@@H+]2C2CCOCC2)C1	REAL300012483656	0	48	0.0	-76.34	361.44	5.81	-70.53
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@H+]2C2CCOCC2)C1	REAL300012483656	1	48	0.0	-79.72	352.34	5.45	-74.27
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483657	0	57	0.0	-73.30	420.73	4.70	-68.60
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483657	1	57	0.0	-74.91	410.64	4.33	-70.58
CC(C)C[C@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483658	0	52	0.0	-74.39	375.70	5.56	-68.83
CC(C)C[C@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483658	1	52	0.0	-73.18	378.65	4.93	-68.25
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCOCC1	REAL300012483659	0	54	0.0	-71.46	397.20	3.88	-67.58
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCOCC1	REAL300012483659	1	54	0.0	-77.38	399.69	4.09	-73.29
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC=CC=C1	REAL300012483660	0	50	0.0	-73.01	386.25	5.92	-67.09
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC=CC=C1	REAL300012483660	1	50	0.0	-74.49	375.36	5.59	-68.90
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483661	0	50	0.0	-71.83	379.79	5.51	-66.32
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483661	1	50	0.0	-73.29	387.18	5.62	-67.67
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483662	0	49	0.0	-74.88	381.72	4.41	-70.47
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483662	1	49	0.0	-74.45	400.39	4.43	-70.02
CC(C)CCCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483663	0	58	0.0	-72.12	432.18	6.70	-65.42
CC(C)CCCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483663	1	58	0.0	-73.78	421.92	6.42	-67.36
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483664	0	54	0.0	-72.17	404.56	4.77	-67.40
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483664	1	54	0.0	-72.82	409.45	5.20	-67.62
CSCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483665	0	47	0.0	-69.25	373.58	4.29	-64.96
CSCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483665	1	47	0.0	-70.69	362.64	3.93	-66.76
COC[C@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483666	0	47	0.0	-74.52	348.65	2.44	-72.08
COC[C@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483666	1	47	0.0	-74.39	351.04	1.75	-72.64
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483667	0	53	0.0	-70.04	414.57	7.01	-63.03
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483667	1	53	0.0	-74.27	404.16	6.56	-67.71
CCC(C)CC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483668	0	55	0.0	-71.56	402.57	6.55	-65.01
CCC(C)CC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483668	1	55	0.0	-74.16	394.91	5.64	-68.52
C=CCCCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483669	0	53	0.0	-70.81	405.09	6.00	-64.81
C=CCCCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483669	1	53	0.0	-72.97	394.98	5.63	-67.34
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483670	0	53	0.0	-71.78	414.90	6.94	-64.84
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483670	1	53	0.0	-73.23	403.97	6.60	-66.63
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC=CC2=CC=CC=C21	REAL300012483671	0	56	0.0	-74.70	426.66	8.16	-66.54
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC=CC2=CC=CC=C21	REAL300012483671	1	56	0.0	-78.11	416.92	7.78	-70.33
O=C([O-])C1CSCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483672	0	48	0.0	-82.93	351.18	7.36	-75.57
O=C([O-])C1CSCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483672	1	48	0.0	-81.16	365.39	7.29	-73.87
CC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012483673	0	53	0.0	-72.10	394.13	6.59	-65.51
CC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012483673	1	53	0.0	-74.37	399.05	7.12	-67.25
O=C([O-])[C@H]1CCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483674	0	47	0.0	-78.51	354.83	5.55	-72.96
O=C([O-])[C@H]1CCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483674	1	47	0.0	-80.17	354.35	5.77	-74.40
CCCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483675	0	49	0.0	-72.16	371.61	4.64	-67.52
CCCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483675	1	49	0.0	-73.81	361.35	4.34	-69.47
CC(C)[C@@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483676	0	49	0.0	-71.28	367.01	4.45	-66.83
CC(C)[C@@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483676	1	49	0.0	-74.05	372.25	4.86	-69.19
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483677	0	51	0.0	-87.49	357.93	7.62	-79.87
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483677	1	51	0.0	-83.62	369.28	7.30	-76.32
CCN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C(C)(C)C(=O)[O-]	REAL300012483678	0	52	0.0	-76.49	362.15	6.79	-69.70
CCN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C(C)(C)C(=O)[O-]	REAL300012483678	1	52	0.0	-77.99	363.88	6.37	-71.62
CCCN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C(C)C(=O)[O-]	REAL300012483679	0	52	0.0	-49.07	380.52	7.44	-41.63
CCCN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C(C)C(=O)[O-]	REAL300012483679	1	52	0.0	-60.41	366.58	5.84	-54.57
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483680	0	46	0.0	-67.06	364.04	5.95	-61.11
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483680	1	46	0.0	-68.73	352.53	5.80	-62.93
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483681	0	46	0.0	-67.06	364.04	5.95	-61.11
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483681	1	46	0.0	-68.73	352.53	5.80	-62.93
CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C(C)(C)C(=O)[O-]	REAL300012483682	0	49	0.0	-74.55	355.38	5.77	-68.78
CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C(C)(C)C(=O)[O-]	REAL300012483682	1	49	0.0	-77.29	345.24	5.49	-71.80
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483683	0	47	0.0	-79.55	354.49	6.23	-73.32
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483683	1	47	0.0	-79.99	353.41	6.23	-73.76
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483684	0	59	0.0	-59.57	436.05	4.20	-55.37
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483684	1	59	0.0	-57.88	441.52	4.57	-53.31
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483685	0	48	0.0	-84.97	349.03	2.29	-82.68
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483685	1	48	0.0	-82.32	365.62	2.37	-79.95
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC[N@@H+]2C2CCOCC2)CC1	REAL300012483686	1	63	0.0	-59.18	461.24	4.07	-55.11
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC[N@H+]2C2CCOCC2)CC1	REAL300012483686	1	63	0.0	-57.66	466.71	4.44	-53.22
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483687	0	54	0.0	-80.01	389.70	8.88	-71.13
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483687	1	54	0.0	-47.86	394.40	8.39	-39.47
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2CC[N@@H+]2C2CCOCC2)[C@H]1C(=O)[O-]	REAL300012483688	0	57	0.0	-62.93	400.13	9.10	-53.83
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2CC[N@H+]2C2CCOCC2)[C@H]1C(=O)[O-]	REAL300012483688	1	57	0.0	-60.26	388.85	9.51	-50.75
CCC[C@@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483689	0	49	0.0	-70.34	371.23	4.70	-65.64
CCC[C@@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483689	1	49	0.0	-73.88	360.67	4.28	-69.60
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483690	0	55	0.0	-75.05	405.99	7.12	-67.93
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483690	1	55	0.0	-71.30	396.54	6.82	-64.48
O=C([O-])[C@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC=CC=C1	REAL300012483691	0	50	0.0	-71.54	385.91	6.02	-65.52
O=C([O-])[C@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC=CC=C1	REAL300012483691	1	50	0.0	-74.02	375.12	5.67	-68.35
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483692	0	55	0.0	-73.69	425.57	5.91	-67.78
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483692	1	55	0.0	-76.21	415.47	5.55	-70.66
C=CCCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483693	0	50	0.0	-71.12	383.59	5.21	-65.91
C=CCCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483693	1	50	0.0	-74.08	374.24	4.94	-69.14
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483694	0	49	0.0	-74.08	394.96	3.89	-70.19
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483694	1	49	0.0	-76.41	399.93	4.37	-72.04
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483695	0	50	0.0	-68.25	413.75	5.70	-62.55
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483695	1	50	0.0	-69.93	403.65	5.34	-64.59
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483696	0	50	0.0	-91.27	370.19	3.69	-87.58
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483696	1	50	0.0	-89.51	384.27	3.60	-85.91
CN1CC(C(=O)[O-])N(C(=O)NCC2CC[N@@H+]2C2CCOCC2)CC1=O	REAL300012483697	0	51	0.0	-44.90	378.21	4.07	-40.83
CN1CC(C(=O)[O-])N(C(=O)NCC2CC[N@H+]2C2CCOCC2)CC1=O	REAL300012483697	1	51	0.0	-74.60	381.61	5.31	-69.29
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483698	0	50	0.0	-79.03	371.21	6.90	-72.13
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483698	1	50	0.0	-80.39	355.10	5.96	-74.43
CC(C)[C@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483699	0	49	0.0	-70.72	364.29	4.42	-66.30
CC(C)[C@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483699	1	49	0.0	-72.00	366.37	4.60	-67.40
O=C([O-])[C@@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CC=CC=C1	REAL300012483700	0	50	0.0	-73.02	386.25	5.92	-67.10
O=C([O-])[C@@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CC=CC=C1	REAL300012483700	1	50	0.0	-75.39	376.14	5.70	-69.69
CC(CN1C=CC=N1)(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483701	0	53	0.0	-73.04	386.26	5.75	-67.29
CC(CN1C=CC=N1)(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483701	1	53	0.0	-72.80	405.17	5.75	-67.05
CCC[C@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483702	0	49	0.0	-72.85	357.47	5.00	-67.85
CCC[C@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483702	1	49	0.0	-73.30	361.29	4.45	-68.85
CCN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C(C)C(=O)[O-]	REAL300012483703	0	49	0.0	-67.77	359.44	5.64	-62.13
CCN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C(C)C(=O)[O-]	REAL300012483703	1	49	0.0	-72.98	348.32	5.56	-67.42
O=C([O-])CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCCC1	REAL300012483704	0	53	0.0	-56.59	390.11	7.68	-48.91
O=C([O-])CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCCC1	REAL300012483704	1	53	0.0	-58.65	389.09	7.55	-51.10
CC(CN(C)C(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483705	0	49	0.0	-76.53	348.38	5.70	-70.83
CC(CN(C)C(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483705	1	49	0.0	-75.67	350.53	4.98	-70.69
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483706	0	52	0.0	-72.97	381.36	4.82	-68.15
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483706	1	52	0.0	-73.95	386.46	5.25	-68.70
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483707	0	49	0.0	-69.78	360.08	6.02	-63.76
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483707	1	49	0.0	-69.74	349.73	5.47	-64.27
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CC(CO)C1	REAL300012483708	0	51	0.0	-83.03	386.99	2.19	-80.84
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CC(CO)C1	REAL300012483708	1	51	0.0	-83.10	386.22	2.06	-81.04
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483709	0	59	0.0	-71.98	427.74	5.00	-66.98
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483709	1	59	0.0	-74.99	438.97	5.56	-69.43
CC1CCC(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)(C(=O)[O-])C1	REAL300012483710	0	53	0.0	-75.24	385.30	5.62	-69.62
CC1CCC(NC(=O)NCC2CC[N@H+]2C2CCOCC2)(C(=O)[O-])C1	REAL300012483710	1	53	0.0	-78.19	375.46	5.26	-72.93
CC1(C)CCCC1(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483711	0	56	0.0	-74.26	395.63	6.27	-67.99
CC1(C)CCCC1(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483711	1	56	0.0	-77.38	384.71	5.99	-71.39
COCCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483712	0	50	0.0	-71.96	382.95	2.95	-69.01
COCCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483712	1	50	0.0	-74.05	373.53	2.63	-71.42
CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012483713	0	56	0.0	-72.69	418.56	9.02	-63.67
CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012483713	1	56	0.0	-72.98	407.27	8.55	-64.43
CC1(C)CC(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)(C(=O)[O-])C1	REAL300012483714	0	53	0.0	-77.48	393.01	6.72	-70.76
CC1(C)CC(NC(=O)NCC2CC[N@H+]2C2CCOCC2)(C(=O)[O-])C1	REAL300012483714	1	53	0.0	-78.79	376.52	5.91	-72.88
CC1(C(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])CC1	REAL300012483715	0	50	0.0	-73.24	373.58	5.23	-68.01
CC1(C(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])CC1	REAL300012483715	1	50	0.0	-75.49	360.62	4.86	-70.63
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483716	0	59	0.0	-75.48	419.87	5.53	-69.95
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483716	1	59	0.0	-75.62	438.56	5.56	-70.06
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483717	0	48	0.0	-87.53	346.25	2.59	-84.94
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483717	1	48	0.0	-86.80	365.55	2.55	-84.25
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483718	0	58	0.0	-62.64	433.11	9.88	-52.76
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483718	1	58	0.0	-63.09	433.45	9.72	-53.37
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCOC1	REAL300012483719	0	51	0.0	-72.67	364.20	3.14	-69.53
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCOC1	REAL300012483719	1	51	0.0	-75.93	366.06	2.51	-73.42
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483720	0	51	0.0	-83.84	376.15	7.17	-76.67
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483720	1	51	0.0	-83.42	375.33	7.22	-76.20
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1=CNC2=CC=CC=C12	REAL300012483721	0	54	0.0	-80.42	418.39	5.99	-74.43
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1=CNC2=CC=CC=C12	REAL300012483721	1	54	0.0	-82.06	407.01	5.73	-76.33
O=C([O-])C12COC(CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1)C2	REAL300012483722	0	49	0.0	-80.51	367.86	5.03	-75.48
O=C([O-])C12COC(CN1C(=O)NCC1CC[N@H+]1C1CCOCC1)C2	REAL300012483722	1	49	0.0	-80.55	368.54	4.89	-75.66
CC1CCC(C(=O)[O-])N(C(=O)NCC2CC[N@@H+]2C2CCOCC2)C1	REAL300012483723	0	53	0.0	-53.52	383.17	6.40	-47.12
CC1CCC(C(=O)[O-])N(C(=O)NCC2CC[N@H+]2C2CCOCC2)C1	REAL300012483723	1	53	0.0	-82.83	369.13	7.12	-75.71
CC(C1=CC=CC=C1)C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483724	0	56	0.0	-71.94	425.13	7.29	-64.65
CC(C1=CC=CC=C1)C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483724	1	56	0.0	-72.70	413.24	6.92	-65.78
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483725	0	57	0.0	-71.64	420.59	7.14	-64.50
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483725	1	57	0.0	-73.50	427.49	7.28	-66.22
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCC1	REAL300012483726	0	50	0.0	-71.79	370.19	4.77	-67.02
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCC1	REAL300012483726	1	50	0.0	-72.71	379.27	5.28	-67.43
CC1(C)CC(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)(C(=O)[O-])CC(C)(C)O1	REAL300012483727	0	63	0.0	-76.96	434.39	7.37	-69.59
CC1(C)CC(NC(=O)NCC2CC[N@H+]2C2CCOCC2)(C(=O)[O-])CC(C)(C)O1	REAL300012483727	1	63	0.0	-76.07	447.79	7.01	-69.06
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCCCC1	REAL300012483728	0	56	0.0	-71.92	403.05	6.15	-65.77
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCCCC1	REAL300012483728	1	56	0.0	-75.13	392.24	5.80	-69.33
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCC1	REAL300012483729	0	50	0.0	-71.79	370.19	4.77	-67.02
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCC1	REAL300012483729	1	50	0.0	-72.71	379.27	5.28	-67.43
CC1CCN(C(=O)NCC2CC[N@@H+]2C2CCOCC2)C1C(=O)[O-]	REAL300012483730	0	50	0.0	-80.80	361.03	7.03	-73.77
CC1CCN(C(=O)NCC2CC[N@H+]2C2CCOCC2)C1C(=O)[O-]	REAL300012483730	1	50	0.0	-80.70	375.17	6.37	-74.33
C=CCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483731	0	47	0.0	-73.67	349.82	4.72	-68.95
C=CCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483731	1	47	0.0	-72.65	352.49	3.97	-68.68
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483732	0	57	0.0	-69.68	421.97	5.67	-64.01
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483732	1	57	0.0	-76.88	429.43	5.46	-71.42
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483733	0	57	0.0	-48.65	399.70	8.00	-40.65
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483733	1	57	0.0	-46.29	393.75	7.80	-38.49
CC1(C)CC(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)(C(=O)[O-])CCO1	REAL300012483734	0	57	0.0	-75.31	397.79	5.05	-70.26
CC1(C)CC(NC(=O)NCC2CC[N@H+]2C2CCOCC2)(C(=O)[O-])CCO1	REAL300012483734	1	57	0.0	-77.21	405.11	5.17	-72.04
CC1=CC=CC2=C1CCN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)C2C(=O)[O-]	REAL300012483735	0	57	0.0	-56.05	420.37	8.16	-47.89
CC1=CC=CC2=C1CCN(C(=O)NCC1CC[N@H+]1C1CCOCC1)C2C(=O)[O-]	REAL300012483735	1	57	0.0	-57.36	424.55	8.58	-48.78
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483736	0	51	0.0	-51.70	369.35	7.05	-44.65
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483736	1	51	0.0	-52.26	376.41	7.11	-45.15
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483737	0	57	0.0	-71.64	420.59	7.14	-64.50
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483737	1	57	0.0	-73.50	427.49	7.28	-66.22
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483738	0	53	0.0	-68.16	414.58	7.01	-61.15
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483738	1	53	0.0	-71.13	404.82	6.67	-64.46
COC1CC(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)(C(=O)[O-])C1	REAL300012483739	0	51	0.0	-81.43	376.25	4.23	-77.20
COC1CC(NC(=O)NCC2CC[N@H+]2C2CCOCC2)(C(=O)[O-])C1	REAL300012483739	1	51	0.0	-74.00	387.70	3.74	-70.26
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CC(F)(F)C1	REAL300012483740	0	47	0.0	-73.66	360.20	4.52	-69.14
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CC(F)(F)C1	REAL300012483740	1	47	0.0	-77.20	349.01	4.25	-72.95
CO[C@H]1C[C@](NC(=O)NCC2CC[N@@H+]2C2CCOCC2)(C(=O)[O-])C1	REAL300012483741	0	51	0.0	-74.98	388.99	4.28	-70.70
CO[C@H]1C[C@](NC(=O)NCC2CC[N@H+]2C2CCOCC2)(C(=O)[O-])C1	REAL300012483741	1	51	0.0	-74.71	388.39	4.10	-70.61
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1(C(F)(F)F)CC1	REAL300012483742	0	50	0.0	-73.74	390.91	5.61	-68.13
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1(C(F)(F)F)CC1	REAL300012483742	1	50	0.0	-75.88	380.38	5.34	-70.54
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483743	0	53	0.0	-78.36	374.15	6.89	-71.47
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483743	1	53	0.0	-81.51	383.26	7.48	-74.03
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483744	0	46	0.0	-64.91	365.66	4.64	-60.27
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483744	1	46	0.0	-67.76	355.89	4.31	-63.45
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483745	0	54	0.0	-71.33	403.89	3.98	-67.35
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483745	1	54	0.0	-75.42	408.61	4.27	-71.15
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)COC1	REAL300012483746	0	45	0.0	-72.86	333.23	2.31	-70.55
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)COC1	REAL300012483746	1	45	0.0	-71.82	346.63	1.97	-69.85
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483747	0	50	0.0	-73.54	387.38	6.21	-67.33
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483747	1	50	0.0	-72.33	405.60	6.36	-65.97
COCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012483748	0	57	0.0	-71.14	427.25	5.87	-65.27
COCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012483748	1	57	0.0	-73.89	432.36	6.36	-67.53
CC(C)C(C)(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483749	0	52	0.0	-75.04	357.65	5.26	-69.78
CC(C)C(C)(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483749	1	52	0.0	-73.91	376.09	5.35	-68.56
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483750	0	48	0.0	-85.72	342.43	7.42	-78.30
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483750	1	48	0.0	-83.59	343.89	6.57	-77.02
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483751	0	51	0.0	-82.13	377.01	6.74	-75.39
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483751	1	51	0.0	-82.32	376.80	6.67	-75.65
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483752	0	56	0.0	-48.06	418.36	9.74	-38.32
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483752	1	56	0.0	-44.80	406.68	9.06	-35.74
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483753	0	59	0.0	-70.96	430.14	7.18	-63.78
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483753	1	59	0.0	-73.83	435.23	7.61	-66.22
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483754	0	56	0.0	-74.31	417.95	8.05	-66.26
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483754	1	56	0.0	-73.53	435.79	8.09	-65.44
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483755	0	56	0.0	-72.02	431.38	7.65	-64.37
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483755	1	56	0.0	-74.98	420.58	7.32	-67.66
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CC2CCC1C2	REAL300012483756	0	57	0.0	-72.70	409.36	6.83	-65.87
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1CC2CCC1C2	REAL300012483756	1	57	0.0	-75.46	417.57	6.87	-68.59
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483757	0	59	0.0	-71.44	430.38	7.11	-64.33
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483757	1	59	0.0	-74.86	419.81	6.71	-68.15
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483758	0	59	0.0	-72.88	430.45	7.06	-65.82
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483758	1	59	0.0	-73.80	435.55	7.49	-66.31
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483759	0	57	0.0	-51.37	412.11	7.75	-43.62
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483759	1	57	0.0	-51.09	400.69	7.36	-43.73
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483760	0	57	0.0	-84.07	393.07	7.88	-76.19
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483760	1	57	0.0	-77.60	407.42	7.41	-70.19
COC1=CC=C(CC(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])C=C1	REAL300012483761	0	57	0.0	-72.96	437.66	6.25	-66.71
COC1=CC=C(CC(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])C=C1	REAL300012483761	1	57	0.0	-74.11	443.09	6.60	-67.51
C=CCSCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483762	0	51	0.0	-68.46	407.19	5.78	-62.68
C=CCSCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483762	1	51	0.0	-70.96	397.16	5.33	-65.63
N#CC1=CC=C(CC(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])C=C1	REAL300012483763	0	54	0.0	-71.31	428.98	7.34	-63.97
N#CC1=CC=C(CC(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])C=C1	REAL300012483763	1	54	0.0	-73.47	433.57	7.71	-65.76
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483764	0	52	0.0	-70.18	374.92	6.80	-63.38
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483764	1	52	0.0	-76.94	365.20	7.07	-69.87
COC1(C(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])CCC1	REAL300012483765	0	54	0.0	-76.09	403.67	4.20	-71.89
COC1(C(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])CCC1	REAL300012483765	1	54	0.0	-75.61	399.81	4.97	-70.64
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCC(C(F)F)CC1	REAL300012483766	0	56	0.0	-76.70	396.44	6.83	-69.87
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCC(C(F)F)CC1	REAL300012483766	1	56	0.0	-75.94	409.83	6.48	-69.46
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCC2=CC=CC=C2C1	REAL300012483767	0	57	0.0	-75.08	417.49	8.07	-67.01
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCC2=CC=CC=C2C1	REAL300012483767	1	57	0.0	-76.92	406.93	7.64	-69.28
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CC(C(F)F)C1	REAL300012483768	0	50	0.0	-82.04	374.79	6.10	-75.94
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CC(C(F)F)C1	REAL300012483768	1	50	0.0	-73.31	385.78	5.61	-67.70
CC(C)C1=CC=C(C(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])C=C1	REAL300012483770	0	59	0.0	-71.18	446.14	7.95	-63.23
CC(C)C1=CC=C(C(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])C=C1	REAL300012483770	1	59	0.0	-74.22	451.63	8.29	-65.93
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483771	0	47	0.0	-77.81	360.64	6.29	-71.52
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483771	1	47	0.0	-78.33	359.70	6.30	-72.03
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483772	0	49	0.0	-51.59	364.30	6.68	-44.91
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483772	1	49	0.0	-50.60	353.55	6.32	-44.28
CC1(C)CCN(C(=O)NCC2CC[N@@H+]2C2CCOCC2)C1C(=O)[O-]	REAL300012483773	0	53	0.0	-82.80	391.04	6.71	-76.09
CC1(C)CCN(C(=O)NCC2CC[N@H+]2C2CCOCC2)C1C(=O)[O-]	REAL300012483773	1	53	0.0	-80.14	385.97	7.04	-73.10
CCOC1=CC=C(C(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)C(=O)[O-])C=C1	REAL300012483774	0	57	0.0	-73.53	423.67	6.52	-67.01
CCOC1=CC=C(C(NC(=O)NCC2CC[N@H+]2C2CCOCC2)C(=O)[O-])C=C1	REAL300012483774	1	57	0.0	-73.31	442.10	6.61	-66.70
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483775	0	57	0.0	-81.41	404.91	8.75	-72.66
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483775	1	57	0.0	-84.32	393.00	8.09	-76.23
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCC2=CC=CC=C21	REAL300012483776	0	57	0.0	-72.45	421.22	7.50	-64.95
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCC2=CC=CC=C21	REAL300012483776	1	57	0.0	-75.96	425.67	7.93	-68.03
CC(COC1=CC=CC=C1)(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483777	0	57	0.0	-76.43	428.70	6.91	-69.52
CC(COC1=CC=CC=C1)(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483777	1	57	0.0	-78.79	433.81	7.41	-71.38
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483778	0	53	0.0	-69.20	417.37	7.06	-62.14
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483778	1	53	0.0	-76.89	426.77	7.30	-69.59
CC(C)CCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483779	0	55	0.0	-72.29	410.68	5.92	-66.37
CC(C)CCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483779	1	55	0.0	-73.73	399.74	5.58	-68.15
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483780	0	54	0.0	-55.12	402.78	7.54	-47.58
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483780	1	54	0.0	-54.66	402.71	7.41	-47.25
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483781	0	54	0.0	-71.33	403.89	3.98	-67.35
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483781	1	54	0.0	-75.42	408.61	4.27	-71.15
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@@H+]2C2CCOCC2)C1	REAL300012483782	0	51	0.0	-79.20	379.91	7.07	-72.13
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@H+]2C2CCOCC2)C1	REAL300012483782	1	51	0.0	-78.71	396.12	7.27	-71.44
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCCC2CC21	REAL300012483783	0	54	0.0	-80.40	372.63	7.03	-73.37
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCCC2CC21	REAL300012483783	1	54	0.0	-76.04	377.48	6.09	-69.95
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CCC2CC21	REAL300012483784	0	51	0.0	-79.26	377.82	6.26	-73.00
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CCC2CC21	REAL300012483784	1	51	0.0	-76.87	378.78	5.95	-70.92
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CC2(CCC2)C1	REAL300012483785	0	54	0.0	-77.26	385.42	6.88	-70.38
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CC2(CCC2)C1	REAL300012483785	1	54	0.0	-79.13	404.67	6.74	-72.39
CN(C(=O)NCC1CC[N@@H+]1C1CCOCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012483786	0	56	0.0	-70.40	417.30	8.92	-61.48
CN(C(=O)NCC1CC[N@H+]1C1CCOCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012483786	1	56	0.0	-72.95	407.75	8.53	-64.42
O=C([O-])C1CC2(CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1)CCCCC2	REAL300012483787	0	60	0.0	-53.31	426.65	8.08	-45.23
O=C([O-])C1CC2(CN1C(=O)NCC1CC[N@H+]1C1CCOCC1)CCCCC2	REAL300012483787	1	60	0.0	-51.10	414.72	7.86	-43.24
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCCC1	REAL300012483788	0	53	0.0	-72.02	386.18	5.39	-66.63
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCCC1	REAL300012483788	1	53	0.0	-74.37	375.41	5.10	-69.27
CO[C@H](C)[C@H](NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483789	0	50	0.0	-74.34	366.80	3.44	-70.90
CO[C@H](C)[C@H](NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483789	1	50	0.0	-74.15	385.22	3.53	-70.62
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483790	0	50	0.0	-76.78	368.99	5.42	-71.36
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483790	1	50	0.0	-77.01	353.78	4.73	-72.28
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483791	0	53	0.0	-58.40	407.21	8.71	-49.69
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483791	1	53	0.0	-56.13	396.66	8.39	-47.74
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CC[N@@H+]2C2CCOCC2)C1	REAL300012483792	0	53	0.0	-51.29	382.75	6.47	-44.82
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CC[N@H+]2C2CCOCC2)C1	REAL300012483792	1	53	0.0	-54.76	395.68	6.72	-48.04
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483793	0	50	0.0	-80.80	375.77	7.25	-73.55
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483793	1	50	0.0	-50.49	382.33	5.93	-44.56
O=C([O-])C1N(C(=O)NCC2CC[N@@H+]2C2CCOCC2)CCC1(F)F	REAL300012483794	0	47	0.0	-84.70	367.33	5.88	-78.82
O=C([O-])C1N(C(=O)NCC2CC[N@H+]2C2CCOCC2)CCC1(F)F	REAL300012483794	1	47	0.0	-80.05	363.46	6.28	-73.77
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483795	0	53	0.0	-68.16	414.58	7.01	-61.15
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483795	1	53	0.0	-71.13	404.82	6.67	-64.46
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483796	0	50	0.0	-73.23	385.26	6.16	-67.07
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483796	1	50	0.0	-74.30	388.27	5.50	-68.80
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483797	0	50	0.0	-71.20	377.83	6.58	-64.62
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483797	1	50	0.0	-78.15	367.55	6.21	-71.94
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CC2(CC(F)(F)C2)C1	REAL300012483798	0	54	0.0	-76.48	411.10	6.76	-69.72
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CC2(CC(F)(F)C2)C1	REAL300012483798	1	54	0.0	-77.70	417.99	6.95	-70.75
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483799	0	50	0.0	-73.23	385.26	6.16	-67.07
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483799	1	50	0.0	-74.30	388.27	5.50	-68.80
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483800	0	54	0.0	-84.63	374.64	7.20	-77.43
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483800	1	54	0.0	-82.89	391.97	7.44	-75.45
COCCCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483801	0	53	0.0	-70.58	404.45	3.72	-66.86
COCCCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483801	1	53	0.0	-73.10	395.03	3.42	-69.68
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483802	0	52	0.0	-67.90	382.79	6.80	-61.10
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483802	1	52	0.0	-71.21	387.59	7.09	-64.12
CCOCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483803	0	50	0.0	-73.90	383.83	3.07	-70.83
CCOCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483803	1	50	0.0	-75.48	373.66	2.77	-72.71
CC(C)(C)CC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483804	0	55	0.0	-75.71	387.79	6.56	-69.15
CC(C)(C)CC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483804	1	55	0.0	-74.21	390.65	5.96	-68.25
O=C([O-])C(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C1CCCCO1	REAL300012483805	0	54	0.0	-73.29	401.79	4.40	-68.89
O=C([O-])C(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C1CCCCO1	REAL300012483805	1	54	0.0	-76.16	407.03	4.82	-71.34
O=C([O-])C1(NC(=O)NCC2CC[N@@H+]2C2CCOCC2)CC2=CC=CC=C2C1	REAL300012483806	0	54	0.0	-75.62	411.04	7.62	-68.00
O=C([O-])C1(NC(=O)NCC2CC[N@H+]2C2CCOCC2)CC2=CC=CC=C2C1	REAL300012483806	1	54	0.0	-77.05	394.83	6.86	-70.19
C[C@H]1OCCN(C(=O)NCC2CC[N@@H+]2C2CCOCC2)[C@@H]1C(=O)[O-]	REAL300012483807	0	51	0.0	-79.95	375.42	5.44	-74.51
C[C@H]1OCCN(C(=O)NCC2CC[N@H+]2C2CCOCC2)[C@@H]1C(=O)[O-]	REAL300012483807	1	51	0.0	-81.55	359.49	4.77	-76.78
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483808	0	53	0.0	-72.76	389.38	6.92	-65.84
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483808	1	53	0.0	-71.39	390.46	6.75	-64.64
N#CCCC(NC(=O)NCC1CC[N@@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483809	0	47	0.0	-74.26	370.97	4.38	-69.88
N#CCCC(NC(=O)NCC1CC[N@H+]1C1CCOCC1)C(=O)[O-]	REAL300012483809	1	47	0.0	-75.20	360.02	4.02	-71.18
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483810	0	50	0.0	-59.22	388.37	6.85	-52.37
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483810	1	50	0.0	-58.00	393.84	7.25	-50.75
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483811	0	61	0.0	-80.20	422.31	7.72	-72.48
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483811	1	61	0.0	-83.51	411.64	7.28	-76.23
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCC1CC[N@@H+]1C1CCOCC1	REAL300012483812	0	52	0.0	-68.03	419.45	5.53	-62.50
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCC1CC[N@H+]1C1CCOCC1	REAL300012483812	1	52	0.0	-70.25	409.50	5.10	-65.15
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@@H+]2C2CCOCC2)C1	REAL300012483813	0	54	0.0	-77.31	389.88	6.15	-71.16
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@H+]2C2CCOCC2)C1	REAL300012483813	1	54	0.0	-76.45	408.96	5.90	-70.55
CN1N=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1C1CC1	REAL300012483972	0	57	0.0	-65.71	444.44	7.07	-58.64
CCC(CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484324	0	60	0.0	-69.30	421.37	7.98	-61.32
C=CCOCC(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484325	0	59	0.0	-67.08	426.67	5.64	-61.44
C=CC(C)C(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484326	0	58	0.0	-69.83	404.86	6.76	-63.07
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[NH+]1CCOCC1	REAL300012484327	0	62	0.0	-69.01	430.91	6.82	-62.19
CCC(CC)C(CNC(=O)N1CCC(OC)CC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484328	1	62	0.0	-78.19	421.56	8.67	-69.52
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[NH+]1CCOCC1	REAL300012484329	0	62	0.0	-62.41	426.71	6.65	-55.76
CCC(CC)C(CNC(=O)N1CCC(C)CC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484330	1	61	0.0	-77.15	411.76	10.50	-66.65
CCCN(CC(=O)[O-])C(=O)NCC(C(CC)CC)[NH+]1CCOCC1	REAL300012484331	1	57	0.0	-46.19	399.59	8.43	-37.76
CCC(CC)C(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[NH+]1CCOCC1	REAL300012484332	1	61	0.0	-49.70	412.83	9.39	-40.31
CCCN(C(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(COC)C(=O)[O-]	REAL300012484333	1	64	0.0	-72.29	440.29	9.33	-62.96
CCCN(C(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(CC)C(=O)[O-]	REAL300012484334	1	63	0.0	-36.49	418.27	9.86	-26.63
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300012484335	0	57	0.0	-64.61	394.24	6.39	-58.22
CCC(CC)C(CNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484336	1	58	0.0	-76.95	390.85	9.88	-67.07
CCC(CC)C(CNC(=O)N1CCSCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484337	1	56	0.0	-74.36	391.70	9.65	-64.71
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCOCC1	REAL300012484338	0	61	0.0	-60.82	404.22	8.37	-52.45
CCC(CC)C(CNC(=O)N1CCCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484339	1	55	0.0	-72.01	383.77	8.24	-63.77
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCOCC1	REAL300012484340	0	58	0.0	-68.00	395.58	7.80	-60.20
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[NH+]1CCOCC1	REAL300012484341	0	64	0.0	-74.64	416.13	9.27	-65.37
CCC(CC)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484342	0	61	0.0	-71.01	441.21	9.75	-61.26
CCC(CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[NH+]1CCOCC1	REAL300012484343	1	61	0.0	-44.87	439.74	11.56	-33.31
CCC(CC)C(CNC(=O)NCC(=O)[O-])[NH+]1CCOCC1	REAL300012484344	0	48	0.0	-57.34	337.44	3.99	-53.35
CCC(CC)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012484345	0	58	0.0	-63.00	410.65	8.35	-54.65
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012484346	0	58	0.0	-64.99	418.76	8.91	-56.08
CCC(CC)C(CNC(=O)NC(CC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484347	0	54	0.0	-65.45	379.23	5.86	-59.59
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300012484348	0	57	0.0	-64.61	394.24	6.39	-58.22
CCC(CC)C(CNC(=O)N(C)CC(=O)[O-])[NH+]1CCOCC1	REAL300012484349	1	51	0.0	-68.69	356.19	6.67	-62.02
CCC(CC)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484350	0	61	0.0	-71.01	441.21	9.75	-61.26
CCC(CC)C(CNC(=O)NC(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484351	0	51	0.0	-57.17	358.06	4.85	-52.32
CCC(C)C(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484352	0	60	0.0	-67.03	411.30	6.81	-60.22
CCC(CC)C(CNC(=O)N(C)CC(=O)[O-])[NH+]1CCOCC1	REAL300012484353	1	51	0.0	-68.69	356.19	6.67	-62.02
CCC(CC)C(CNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484354	1	58	0.0	-76.95	390.85	9.88	-67.07
CCCC(C)(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484355	0	60	0.0	-66.18	405.69	6.98	-59.20
CCC(CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300012484356	1	57	0.0	-70.10	383.13	8.65	-61.45
CCC(CC)C(CNC(=O)N(CC(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300012484357	1	55	0.0	-56.33	378.48	8.26	-48.07
C=CCN(CC(=O)[O-])C(=O)NCC(C(CC)CC)[NH+]1CCOCC1	REAL300012484358	1	55	0.0	-46.08	390.90	8.23	-37.85
CCC(CC)C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]1CCOCC1	REAL300012484359	1	60	0.0	-45.52	414.00	8.73	-36.79
CCC(CC)C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484360	0	54	0.0	-56.34	370.80	5.23	-51.11
CCC(CC)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300012484361	0	58	0.0	-62.51	388.33	7.29	-55.22
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[NH+]1CCOCC1	REAL300012484362	0	55	0.0	-59.18	402.23	7.42	-51.76
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCOCC1	REAL300012484363	0	61	0.0	-60.82	404.22	8.37	-52.45
CCC(CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300012484364	1	57	0.0	-70.10	383.13	8.65	-61.45
CCCN(CC(=O)[O-])C(=O)NCC(C(CC)CC)[NH+]1CCOCC1	REAL300012484365	1	57	0.0	-46.19	399.59	8.43	-37.76
CCC(CC)C(CNC(=O)N(CC)CC(=O)[O-])[NH+]1CCOCC1	REAL300012484366	1	54	0.0	-69.18	376.55	7.60	-61.58
CCC(CC)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)[NH+]1CCOCC1	REAL300012484367	0	60	0.0	-69.59	414.09	7.71	-61.88
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCOCC1	REAL300012484368	0	58	0.0	-68.00	395.58	7.80	-60.20
CCC(CC)C(CNC(=O)NC(C)(CC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484369	0	57	0.0	-65.93	384.20	6.22	-59.71
CCC(CC)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012484370	0	61	0.0	-69.63	426.31	9.43	-60.20
CCC(CC)C(CNC(=O)N[C@@H](C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484371	0	51	0.0	-57.99	360.84	5.75	-52.24
CCC(CC)C(CNC(=O)N(CC)CC(=O)[O-])[NH+]1CCOCC1	REAL300012484372	1	54	0.0	-69.18	376.55	7.60	-61.58
CCCCCCC(C)(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484373	0	69	0.0	-66.41	470.19	9.31	-57.10
CCC(CC)C(CNC(=O)N[C@H](C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484374	0	51	0.0	-56.98	361.32	5.69	-51.29
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300012484375	0	52	0.0	-74.03	367.18	6.95	-67.08
CCC(CC)C(CNC(=O)N1CCOCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484376	1	56	0.0	-74.13	379.38	6.59	-67.54
CCC(CC)C(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[NH+]1CCOCC1	REAL300012484377	1	64	0.0	-75.45	420.43	9.93	-65.52
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300012484378	0	55	0.0	-63.90	381.11	6.69	-57.21
CCC(CC)C(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012484379	1	61	0.0	-65.35	426.73	10.39	-54.96
CCC(CC)C(CNC(=O)N(CCOC)CC(=O)[O-])[NH+]1CCOCC1	REAL300012484380	1	58	0.0	-46.75	409.47	6.85	-39.90
CCC(CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484381	1	55	0.0	-71.28	379.50	7.94	-63.34
CCC(CC)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484382	1	58	0.0	-78.15	390.95	9.60	-68.55
CCC(CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484383	1	54	0.0	-60.69	363.05	7.04	-53.65
CCC(CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484384	1	55	0.0	-75.13	381.61	8.66	-66.47
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCC1)[NH+]1CCOCC1	REAL300012484385	0	55	0.0	-61.77	375.95	6.87	-54.90
C=CCC(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484386	0	55	0.0	-64.76	392.54	6.31	-58.45
CCC(CC)C(CNC(=O)N1CCCC1(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484387	1	58	0.0	-70.19	398.74	9.20	-60.99
CCC(CC)C(CNC(=O)N1CCCCCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484388	1	61	0.0	-77.74	408.55	9.99	-67.75
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300012484389	0	55	0.0	-63.90	381.11	6.69	-57.21
CCC(CC)C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484390	1	54	0.0	-62.37	370.02	6.84	-55.53
CCCCC(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484391	0	60	0.0	-65.33	422.22	7.40	-57.93
CCC(CC)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484392	1	58	0.0	-75.52	396.48	9.14	-66.38
CCC(CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCOCC1	REAL300012484393	1	61	0.0	-54.07	407.35	9.52	-44.55
CCC(CC)C(CNC(=O)NC(COC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484394	0	55	0.0	-67.13	391.92	4.09	-63.04
CCCCCC(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484395	0	63	0.0	-65.26	443.72	8.19	-57.07
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCC(CC)CC1)[NH+]1CCOCC1	REAL300012484396	0	67	0.0	-68.40	445.68	9.33	-59.07
CCC(CC)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[NH+]1CCOCC1	REAL300012484397	1	62	0.0	-44.35	425.57	8.45	-35.90
CCC(CC)C(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)[NH+]1CCOCC1	REAL300012484398	1	61	0.0	-75.79	405.17	9.44	-66.35
CCC(CC)C(CNC(=O)N(C(C)C(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300012484399	1	58	0.0	-56.27	397.53	9.05	-47.22
CCC(CC)C(CNC(=O)N(C(CC)C(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300012484400	1	61	0.0	-49.16	419.66	10.27	-38.89
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)[NH+]1CCOCC1	REAL300012484401	0	58	0.0	-65.35	415.04	8.42	-56.93
CCC(CC)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484402	0	67	0.0	-70.01	462.61	9.81	-60.20
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1)[NH+]1CCOCC1	REAL300012484403	0	61	0.0	-65.06	440.16	9.57	-55.49
CCC(CC)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCOCC1	REAL300012484404	0	54	0.0	-60.87	395.99	6.53	-54.34
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)[NH+]1CCOCC1	REAL300012484405	0	59	0.0	-64.01	413.95	8.16	-55.85
CCC(CC)C(CNC(=O)NC(C)(COC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484406	0	58	0.0	-70.55	402.44	5.51	-65.04
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C(CC)CC)[NH+]1CCOCC1	REAL300012484407	1	61	0.0	-64.76	421.28	7.31	-57.45
CCC(CC)C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]1CCOCC1	REAL300012484408	1	60	0.0	-45.52	414.00	8.73	-36.79
CCC(CC)C(CNC(=O)N(CC(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300012484409	1	55	0.0	-56.33	378.48	8.26	-48.07
CCC(CC)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[NH+]1CCOCC1	REAL300012484410	1	57	0.0	-46.55	417.72	8.81	-37.74
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCOC1)[NH+]1CCOCC1	REAL300012484411	0	56	0.0	-60.51	380.24	4.68	-55.83
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[NH+]1CCOCC1	REAL300012484412	0	64	0.0	-66.28	436.59	8.96	-57.32
CCC(CC)C(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484413	1	65	0.0	-62.61	453.46	9.50	-53.11
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)[NH+]1CCOCC1	REAL300012484414	0	59	0.0	-66.89	407.68	5.97	-60.92
C=CCCC(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484415	0	58	0.0	-65.06	413.54	7.19	-57.87
CCC(CC)C(CNC(=O)NC(CF)C(=O)[O-])[NH+]1CCOCC1	REAL300012484416	0	51	0.0	-55.17	361.85	4.84	-50.33
CCC(CC)C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484417	1	54	0.0	-62.37	370.02	6.84	-55.53
CCC(CC)C(CNC(=O)NC(CC)(CC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484418	0	60	0.0	-67.10	400.87	7.11	-59.99
CCC(C)N(CC(=O)[O-])C(=O)NCC(C(CC)CC)[NH+]1CCOCC1	REAL300012484419	1	60	0.0	-45.50	409.91	9.18	-36.32
CCC(CC)C(CNC(=O)NC(CC)(COC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484420	0	61	0.0	-71.85	419.12	6.41	-65.44
CCC(CC)C(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484421	1	64	0.0	-64.47	441.99	8.21	-56.26
CCC(CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484422	0	58	0.0	-59.07	406.08	7.81	-51.26
CCC(CC)C(CNC(=O)NC(CCOC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484423	0	58	0.0	-66.37	413.73	4.91	-61.46
CCC(CC)C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484424	1	63	0.0	-62.68	428.31	9.32	-53.36
CCC(CC)C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+]1CCOCC1	REAL300012484425	0	54	0.0	-60.44	389.84	6.38	-54.06
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C(CC)CC)[NH+]1CCOCC1	REAL300012484426	1	64	0.0	-78.96	434.28	11.03	-67.93
CCCN(C(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(C)C(=O)[O-]	REAL300012484427	1	60	0.0	-47.01	411.52	8.56	-38.45
CCC(CC)C(CNC(=O)NC(CCF)C(=O)[O-])[NH+]1CCOCC1	REAL300012484428	0	54	0.0	-65.28	386.65	5.98	-59.30
CCC(CC)C(CNC(=O)NC(CC1(OC)CCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484429	0	65	0.0	-71.11	452.35	7.46	-63.65
CCC(CC)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[NH+]1CCOCC1	REAL300012484430	1	62	0.0	-44.35	425.57	8.45	-35.90
CCC(CC)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)[NH+]1CCOCC1	REAL300012484431	1	64	0.0	-54.39	424.73	10.22	-44.17
CCC(CC)C(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[NH+]1CCOCC1	REAL300012484432	0	64	0.0	-68.07	425.70	9.31	-58.76
CCC(CC)C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+]1CCOCC1	REAL300012484433	0	57	0.0	-63.17	390.79	6.36	-56.81
CCC(CC)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[NH+]1CCOCC1	REAL300012484434	1	59	0.0	-56.17	411.51	8.92	-47.25
CCC(CC)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484435	1	55	0.0	-65.46	395.35	8.51	-56.95
CCC(CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484436	1	54	0.0	-57.65	364.10	7.20	-50.45
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[NH+]1CCOCC1	REAL300012484437	0	67	0.0	-75.51	441.50	9.39	-66.12
CCC(CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[NH+]1CCOCC1	REAL300012484438	1	56	0.0	-77.68	385.20	9.21	-68.47
CCC(CC)C(CNC(=O)N1CC(OC)CC1(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484439	1	62	0.0	-63.98	423.38	7.66	-56.32
CCC(CC)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484440	0	65	0.0	-63.76	454.00	7.65	-56.11
CCC(CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]1CCOCC1	REAL300012484441	0	60	0.0	-69.28	412.97	7.94	-61.34
C=C(Cl)CC(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484442	0	55	0.0	-66.74	408.49	6.92	-59.82
C=C(C)CC(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484443	0	58	0.0	-65.39	413.07	7.06	-58.33
CCC(CC)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[NH+]1CCOCC1	REAL300012484444	1	59	0.0	-83.02	403.60	9.98	-73.04
CCC(CC)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484445	1	55	0.0	-64.96	395.65	8.41	-56.55
CCC(CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484446	1	55	0.0	-69.11	384.17	8.32	-60.79
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C(CC)CC)[NH+]2CCOCC2)C1	REAL300012484447	1	56	0.0	-70.77	394.12	8.36	-62.41
CCC(CC)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484448	0	65	0.0	-65.51	454.06	7.62	-57.89
CCC(CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484449	0	60	0.0	-69.30	421.37	7.98	-61.32
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[NH+]1CCOCC1	REAL300012484450	0	62	0.0	-69.01	430.91	6.82	-62.19
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012484451	0	58	0.0	-64.99	418.76	8.91	-56.08
CCC(CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484452	0	58	0.0	-59.07	406.08	7.81	-51.26
CCC(CC)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484453	0	57	0.0	-65.35	428.01	6.90	-58.45
CCC(CC)C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484454	0	66	0.0	-66.21	462.12	8.69	-57.52
CCC(CC)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484455	0	62	0.0	-66.16	430.90	6.58	-59.58
CCC(CC)C(CNC(=O)NC(CSC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484456	0	55	0.0	-63.37	403.53	6.26	-57.11
CCC(CC)C(CNC(=O)N[C@@H](COC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484457	0	55	0.0	-69.56	394.56	5.04	-64.52
CCC(CC)C(CNC(=O)N[C@@H](CC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484458	0	54	0.0	-68.11	382.00	6.78	-61.33
CCC(C)CC(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484459	0	63	0.0	-65.62	436.16	7.82	-57.80
C=CCCCC(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484460	0	61	0.0	-64.83	435.03	7.97	-56.86
CCC(CC)C(CNC(=O)N1CCSCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484461	1	56	0.0	-74.36	391.70	9.65	-64.71
CCC(CC)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012484462	0	61	0.0	-69.63	426.31	9.43	-60.20
CCC(CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484463	1	55	0.0	-71.28	379.50	7.94	-63.34
CCCC(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484464	0	57	0.0	-65.38	400.72	6.62	-58.76
CCC(CC)C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300012484465	0	57	0.0	-64.66	399.88	7.34	-57.32
CCC(CC)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[NH+]1CCOCC1	REAL300012484466	1	59	0.0	-79.65	405.61	9.80	-69.85
CCC(CC)C(CNC(=O)N(CC)C(C)(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484467	1	60	0.0	-73.25	402.61	8.54	-64.71
CCCN(C(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(C)C(=O)[O-]	REAL300012484468	1	60	0.0	-47.01	411.52	8.56	-38.45
CCC(CC)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]1CCOCC1	REAL300012484469	1	54	0.0	-63.51	392.00	7.91	-55.60
CCC(CC)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]1CCOCC1	REAL300012484470	1	54	0.0	-63.51	392.00	7.91	-55.60
CCC(CC)C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484471	1	57	0.0	-72.92	385.30	7.71	-65.21
CCC(CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484472	1	55	0.0	-75.13	381.61	8.66	-66.47
CCC(CC)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484473	1	56	0.0	-75.06	382.01	3.23	-71.83
CCC[C@@H](NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484474	0	57	0.0	-62.67	396.23	6.96	-55.71
CCC(CC)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012484475	0	58	0.0	-63.00	410.65	8.35	-54.65
C=CCCC(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484476	0	58	0.0	-65.06	413.54	7.19	-57.87
CCC(CC)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484477	0	57	0.0	-65.76	428.05	6.76	-59.00
CCC(CC)C(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484478	1	59	0.0	-67.35	408.66	7.57	-59.78
CCC(CC)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484479	1	58	0.0	-70.47	395.83	8.81	-61.66
CCC(CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300012484480	0	57	0.0	-58.51	385.85	6.50	-52.01
CCC(CC)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012484481	0	58	0.0	-68.62	419.00	8.81	-59.81
CCC(CC)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484482	0	61	0.0	-68.20	428.43	8.16	-60.04
CCC(CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484483	1	54	0.0	-57.65	364.10	7.20	-50.45
CCC[C@H](NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484484	0	57	0.0	-68.68	404.34	7.51	-61.17
CCC(CC)C(CNC(=O)N(CC)C(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484485	1	57	0.0	-71.34	390.64	8.38	-62.96
CCC(CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCOCC1	REAL300012484486	1	61	0.0	-54.07	407.35	9.52	-44.55
CCC(CC)C(CNC(=O)N(C)CC(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484487	1	57	0.0	-70.94	391.30	7.33	-63.61
CCC(CC)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)[NH+]1CCOCC1	REAL300012484488	0	60	0.0	-69.59	414.09	7.71	-61.88
CCC(CC)C(CNC(=O)N(C)[C@@H](CC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484489	1	57	0.0	-58.79	385.15	8.17	-50.62
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[NH+]1CCOCC1	REAL300012484490	0	59	0.0	-64.63	408.07	4.15	-60.48
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[NH+]1CCOCC1	REAL300012484491	0	61	0.0	-64.79	410.78	7.91	-56.88
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[NH+]1CCOCC1	REAL300012484492	0	64	0.0	-64.79	420.25	8.64	-56.15
CCC(CC)C(CNC(=O)NC(CCOC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484493	0	58	0.0	-66.37	413.73	4.91	-61.46
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[NH+]1CCOCC1	REAL300012484494	0	61	0.0	-74.60	420.16	9.16	-65.44
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[NH+]1CCOCC1	REAL300012484495	0	58	0.0	-65.53	404.30	8.10	-57.43
CCC(CC)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484496	1	56	0.0	-79.89	385.91	4.71	-75.18
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)[NH+]1CCOCC1	REAL300012484497	0	59	0.0	-64.13	409.61	5.79	-58.34
CCC(CC)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[NH+]1CCOCC1	REAL300012484498	1	59	0.0	-80.23	403.89	9.73	-70.50
CCC(CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[NH+]1CCOCC1	REAL300012484499	1	57	0.0	-75.36	393.47	7.27	-68.09
CCC(CC)C(CNC(=O)N1CC(C)CCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484500	1	61	0.0	-77.36	408.61	9.75	-67.61
CCC(CC)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484501	0	65	0.0	-64.61	451.08	10.56	-54.05
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH+]1CCOCC1	REAL300012484502	0	58	0.0	-62.85	394.38	7.15	-55.70
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[NH+]1CCOCC1	REAL300012484503	0	64	0.0	-66.28	436.59	8.96	-57.32
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH+]1CCOCC1	REAL300012484504	0	58	0.0	-62.85	394.38	7.15	-55.70
CCC(CC)C(CNC(=O)N1CCC(C)C1C(=O)[O-])[NH+]1CCOCC1	REAL300012484505	1	58	0.0	-76.66	402.96	8.97	-67.69
C=CCC(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484506	0	55	0.0	-64.76	392.54	6.31	-58.45
CCC(CC)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484507	0	65	0.0	-62.03	446.70	8.00	-54.03
CCC(CC)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[NH+]1CCOCC1	REAL300012484508	1	65	0.0	-50.61	420.09	9.92	-40.69
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)[NH+]1CCOCC1	REAL300012484509	0	65	0.0	-74.27	428.70	7.40	-66.87
CCC(CC)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484510	1	59	0.0	-36.83	396.47	8.96	-27.87
CCC(CC)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484511	0	65	0.0	-64.61	451.08	10.56	-54.05
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CC(OC)C1)[NH+]1CCOCC1	REAL300012484512	0	59	0.0	-58.22	407.44	5.75	-52.47
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[NH+]1CCOCC1	REAL300012484513	0	55	0.0	-69.06	386.64	6.61	-62.45
CCC(CC)C(CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)[NH+]1CCOCC1	REAL300012484514	0	59	0.0	-62.50	407.92	6.14	-56.36
CCC(CC)C(CNC(=O)N1CCCC1(CC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484515	1	61	0.0	-70.74	414.39	10.28	-60.46
CCC(CC)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCOCC1	REAL300012484516	0	54	0.0	-60.87	395.99	6.53	-54.34
CCC(CC)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484517	0	62	0.0	-64.82	437.74	6.81	-58.01
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])COC1)[NH+]1CCOCC1	REAL300012484518	0	53	0.0	-63.96	374.81	4.50	-59.46
CCC(CC)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484519	0	58	0.0	-62.75	433.23	8.83	-53.92
CCC(CC)C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300012484520	0	60	0.0	-70.00	399.12	6.84	-63.16
CCC(CC)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484521	1	56	0.0	-78.48	391.84	9.49	-68.99
CCC(CC)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484522	1	59	0.0	-73.21	402.78	9.15	-64.06
CCC(CC)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484523	0	67	0.0	-70.01	462.61	9.81	-60.20
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)[NH+]1CCOCC1	REAL300012484524	0	65	0.0	-65.96	440.76	9.07	-56.89
CCC(CC)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484525	0	67	0.0	-64.47	461.77	9.93	-54.54
CCC(CC)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484526	0	67	0.0	-65.27	458.50	9.50	-55.77
CCC(CC)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484527	1	65	0.0	-40.49	441.28	10.11	-30.38
CCC(CC)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484528	1	65	0.0	-72.98	439.13	10.43	-62.55
C=CCSCC(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484529	0	59	0.0	-63.41	437.81	7.71	-55.70
CCC(CC)C(CNC(=O)N(CC)C(CC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484530	1	60	0.0	-72.67	404.97	9.24	-63.43
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1(OC)CCC1)[NH+]1CCOCC1	REAL300012484531	0	62	0.0	-58.41	423.93	5.75	-52.66
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)[NH+]1CCOCC1	REAL300012484532	0	58	0.0	-57.90	409.79	7.78	-50.12
CCC(CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484534	1	55	0.0	-69.11	384.17	8.32	-60.79
CCC(CC)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[NH+]1CCOCC1	REAL300012484535	1	57	0.0	-38.48	392.83	9.09	-29.39
CCC(CC)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])[NH+]1CCOCC1	REAL300012484536	1	61	0.0	-76.22	411.66	9.55	-66.67
CCC(CC)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484537	1	65	0.0	-77.90	430.50	12.09	-65.81
CCC(CC)C(CNC(=O)NC(CCC(C)C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484538	0	63	0.0	-65.47	439.79	7.92	-57.55
CCC(CC)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484539	1	62	0.0	-37.76	415.89	8.94	-28.82
CCC(CC)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484540	0	62	0.0	-64.82	437.74	6.81	-58.01
CCC(CC)C(CNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484541	1	59	0.0	-61.74	416.74	9.25	-52.49
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)[NH+]1CCOCC1	REAL300012484542	0	62	0.0	-64.46	412.78	8.76	-55.70
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)[NH+]1CCOCC1	REAL300012484543	0	59	0.0	-64.95	398.69	7.94	-57.01
CCC(CC)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)[NH+]1CCOCC1	REAL300012484544	0	62	0.0	-67.96	424.33	9.02	-58.94
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)[NH+]1CCOCC1	REAL300012484545	0	61	0.0	-69.86	419.31	8.24	-61.62
CCC(CC)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)[NH+]1CCOCC1	REAL300012484546	0	58	0.0	-69.75	412.84	5.99	-63.76
CCC(CC)C(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[NH+]1CCOCC1	REAL300012484547	0	58	0.0	-70.52	400.32	7.93	-62.59
CCC(CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[NH+]1CCOCC1	REAL300012484548	1	61	0.0	-44.87	439.74	11.56	-33.31
CCC(CC)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484549	1	61	0.0	-52.08	413.35	8.90	-43.18
CCC(CC)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])[NH+]1CCOCC1	REAL300012484550	1	58	0.0	-75.40	403.82	9.82	-65.58
CCC(CC)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[NH+]1CCOCC1	REAL300012484551	1	55	0.0	-66.81	385.13	8.23	-58.58
CCC(CC)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484552	0	58	0.0	-64.63	432.11	8.69	-55.94
CCC(CC)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484553	1	58	0.0	-68.14	410.76	9.33	-58.81
CCC(CC)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012484554	0	58	0.0	-64.63	432.11	8.69	-55.94
CCC(CC)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484555	1	62	0.0	-78.60	403.81	8.28	-70.32
CCC(CC)C(CNC(=O)NC(CCCOC)C(=O)[O-])[NH+]1CCOCC1	REAL300012484556	0	61	0.0	-64.83	434.40	5.69	-59.14
CCCC(C(=O)[O-])N(C)C(=O)NCC(C(CC)CC)[NH+]1CCOCC1	REAL300012484557	1	60	0.0	-62.84	411.95	8.76	-54.08
CCOCC(NC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300012484558	0	58	0.0	-67.47	413.77	5.07	-62.40
CCC(CC)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484559	0	63	0.0	-69.96	429.88	8.31	-61.65
CCC(CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[NH+]1CCOCC1	REAL300012484560	0	62	0.0	-71.37	433.59	7.31	-64.06
CCC(CC)C(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012484561	1	59	0.0	-69.21	403.48	7.42	-61.79
CCC(CC)C(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+]1CCOCC1	REAL300012484562	0	55	0.0	-67.39	400.08	6.36	-61.03
CCC(CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[NH+]1CCOCC1	REAL300012484563	1	58	0.0	-56.03	406.07	8.84	-47.19
CCC(CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]1CCOCC1	REAL300012484564	1	54	0.0	-60.69	363.05	7.04	-53.65
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C(CC)CC)[NH+]2CCOCC2)C1	REAL300012484565	1	62	0.0	-71.46	433.64	8.63	-62.83
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCCO2)CC1	REAL300012484660	0	54	0.0	-63.54	409.19	5.49	-58.05
CC[NH+](CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC(C)C	REAL300012485016	0	58	0.0	-62.06	411.17	9.17	-52.89
C=CCOCC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485017	0	57	0.0	-67.71	413.64	6.69	-61.02
C=CC(C)C(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485018	0	56	0.0	-69.85	397.85	8.53	-61.32
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)CC(C)C	REAL300012485019	0	60	0.0	-74.10	415.44	7.13	-66.97
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)CC(C)C	REAL300012485020	0	56	0.0	-58.25	421.89	10.04	-48.21
CC[NH+](CC)C(CNC(=O)N1CCC(OC)CC1C(=O)[O-])CC(C)C	REAL300012485021	0	60	0.0	-76.28	407.28	9.46	-66.82
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)CC(C)C	REAL300012485022	0	60	0.0	-66.33	416.43	6.87	-59.46
CC[NH+](CC)C(CNC(=O)N1CCC(C)CC1C(=O)[O-])CC(C)C	REAL300012485023	0	59	0.0	-76.55	395.92	11.15	-65.40
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1)CC(C)C	REAL300012485024	0	59	0.0	-62.57	427.79	9.47	-53.10
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)CC(C)C	REAL300012485025	0	61	0.0	-67.90	439.15	9.29	-58.61
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1)CC(C)C	REAL300012485026	0	62	0.0	-70.14	453.49	11.04	-59.10
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1)CC(C)C	REAL300012485027	0	62	0.0	-67.33	451.60	10.29	-57.04
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C)CC(C)C	REAL300012485028	0	62	0.0	-67.04	442.41	10.16	-56.88
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1)CC(C)C	REAL300012485029	0	60	0.0	-64.60	444.64	9.37	-55.23
CCCN(CC(=O)[O-])C(=O)NCC(CC(C)C)[NH+](CC)CC	REAL300012485030	0	55	0.0	-54.02	383.58	9.57	-44.45
CC[NH+](CC)C(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)CC(C)C	REAL300012485031	0	59	0.0	-34.37	400.15	10.74	-23.63
CCCN(C(=O)NCC(CC(C)C)[NH+](CC)CC)C(COC)C(=O)[O-]	REAL300012485032	0	62	0.0	-72.43	430.02	10.96	-61.47
CCCN(C(=O)NCC(CC(C)C)[NH+](CC)CC)C(CC)C(=O)[O-]	REAL300012485033	0	61	0.0	-29.24	404.10	11.26	-17.98
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)CC(C)C	REAL300012485034	0	55	0.0	-70.64	387.99	7.92	-62.72
CC[NH+](CC)C(CNC(=O)N1CCCCC1C(=O)[O-])CC(C)C	REAL300012485035	0	56	0.0	-74.54	382.44	10.96	-63.58
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)CC(C)C	REAL300012485036	0	56	0.0	-65.02	418.06	9.20	-55.82
CC[NH+](CC)C(CNC(=O)N1CCSCC1C(=O)[O-])CC(C)C	REAL300012485037	0	54	0.0	-75.00	375.08	10.55	-64.45
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)CC(C)C	REAL300012485038	0	59	0.0	-73.79	402.49	9.85	-63.94
CC[NH+](CC)C(CNC(=O)N1CCCC1C(=O)[O-])CC(C)C	REAL300012485039	0	53	0.0	-75.18	363.79	8.69	-66.49
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)CC(C)C	REAL300012485040	0	56	0.0	-65.84	381.50	8.45	-57.39
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)CC(C)C	REAL300012485041	0	62	0.0	-72.28	407.16	9.94	-62.34
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])CC(C)C	REAL300012485042	0	59	0.0	-64.11	431.08	10.81	-53.30
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)CC(C)C	REAL300012485043	0	59	0.0	-45.91	425.18	11.39	-34.52
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC(C)C	REAL300012485044	0	56	0.0	-64.68	407.46	8.88	-55.80
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CC(C)C	REAL300012485045	0	56	0.0	-66.78	407.19	8.97	-57.81
CCC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485046	0	52	0.0	-66.31	371.75	7.85	-58.46
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)CC(C)C	REAL300012485047	0	55	0.0	-70.64	387.99	7.92	-62.72
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])CC(C)C	REAL300012485048	0	59	0.0	-64.11	431.08	10.81	-53.30
CCC(C)C(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485049	0	58	0.0	-61.34	396.65	8.31	-53.03
CC[NH+](CC)C(CNC(=O)N1CCCCC1C(=O)[O-])CC(C)C	REAL300012485050	0	56	0.0	-74.54	382.44	10.96	-63.58
CCCC(C)(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485051	0	58	0.0	-63.71	396.60	8.47	-55.24
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)CC(C)C	REAL300012485052	0	55	0.0	-67.98	375.07	9.41	-58.57
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CC1)CC(C)C	REAL300012485053	0	53	0.0	-43.62	371.82	9.90	-33.72
C=CCN(CC(=O)[O-])C(=O)NCC(CC(C)C)[NH+](CC)CC	REAL300012485054	0	53	0.0	-53.17	388.29	9.24	-43.93
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(C)C)CC(C)C	REAL300012485055	0	58	0.0	-42.79	406.31	10.67	-32.12
CC[NH+](CC)C(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])CC(C)C	REAL300012485056	0	60	0.0	-73.67	427.70	11.66	-62.01
CC[NH+](CC)C(CNC(=O)NC(C)(C)C(=O)[O-])CC(C)C	REAL300012485057	0	52	0.0	-54.04	358.25	6.29	-47.75
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)CC(C)C	REAL300012485058	0	56	0.0	-66.17	378.79	7.74	-58.43
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)CC(C)C	REAL300012485059	0	53	0.0	-64.14	402.48	8.73	-55.41
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)CC(C)C	REAL300012485060	0	59	0.0	-73.79	402.49	9.85	-63.94
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)CC(C)C	REAL300012485061	0	59	0.0	-44.31	441.97	11.94	-32.37
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)CC(C)C	REAL300012485062	0	55	0.0	-67.98	375.07	9.41	-58.57
CCCN(CC(=O)[O-])C(=O)NCC(CC(C)C)[NH+](CC)CC	REAL300012485063	0	55	0.0	-54.02	383.58	9.57	-44.45
CCN(CC(=O)[O-])C(=O)NCC(CC(C)C)[NH+](CC)CC	REAL300012485064	0	52	0.0	-63.13	375.70	8.74	-54.39
CC[C@H](C)[C@H](NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485065	0	58	0.0	-69.51	403.49	8.65	-60.86
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)CC(C)C	REAL300012485066	0	56	0.0	-65.84	381.50	8.45	-57.39
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)CC(C)C	REAL300012485067	0	59	0.0	-42.77	430.08	12.23	-30.54
CC[NH+](CC)C(CNC(=O)NC(C)(CC)C(=O)[O-])CC(C)C	REAL300012485068	0	55	0.0	-63.59	375.09	7.72	-55.87
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)CC(C)C	REAL300012485069	0	60	0.0	-68.66	431.38	10.19	-58.47
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)CC(C)C	REAL300012485070	0	56	0.0	-65.88	424.48	9.20	-56.68
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)CC(C)C	REAL300012485071	0	59	0.0	-63.67	417.83	10.59	-53.08
CCN(CC(=O)[O-])C(=O)NCC(CC(C)C)[NH+](CC)CC	REAL300012485072	0	52	0.0	-63.13	375.70	8.74	-54.39
CCCCCCC(C)(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485073	0	67	0.0	-63.55	464.20	11.13	-52.42
CC[NH+](CC)C(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])CC(C)C	REAL300012485074	0	62	0.0	-69.60	442.64	12.64	-56.96
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)CC(C)C	REAL300012485075	0	56	0.0	-65.02	418.06	9.20	-55.82
CC[NH+](CC)C(CNC(=O)N1CCOCC1C(=O)[O-])CC(C)C	REAL300012485076	0	54	0.0	-72.27	369.44	7.68	-64.59
CC[NH+](CC)C(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)CC(C)C	REAL300012485077	0	62	0.0	-69.21	411.29	11.01	-58.20
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)CC(C)C	REAL300012485078	0	53	0.0	-64.77	369.39	7.09	-57.68
CC[NH+](CC)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])CC(C)C	REAL300012485079	0	62	0.0	-51.86	447.80	13.04	-38.82
CC[NH+](CC)C(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)CC(C)C	REAL300012485080	0	59	0.0	-67.36	415.69	10.73	-56.63
CC[NH+](CC)C(CNC(=O)N(CCOC)CC(=O)[O-])CC(C)C	REAL300012485081	0	56	0.0	-50.70	396.85	7.90	-42.80
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)CC(C)C	REAL300012485082	0	60	0.0	-69.57	422.12	10.53	-59.04
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])CC(C)C	REAL300012485083	0	53	0.0	-76.23	377.14	7.93	-68.30
CC[NH+](CC)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])CC(C)C	REAL300012485084	0	56	0.0	-75.38	381.87	10.58	-64.80
CC[NH+](CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])CC(C)C	REAL300012485085	0	52	0.0	-60.02	355.12	7.61	-52.41
CC[NH+](CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])CC(C)C	REAL300012485086	0	53	0.0	-74.85	369.27	8.78	-66.07
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC1)CC(C)C	REAL300012485087	0	53	0.0	-76.02	373.22	7.76	-68.26
C=CCC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485088	0	53	0.0	-63.37	387.37	8.13	-55.24
CC[NH+](CC)C(CNC(=O)N1CCCC1(C)C(=O)[O-])CC(C)C	REAL300012485089	0	56	0.0	-73.13	389.35	9.53	-63.60
CC[NH+](CC)C(CNC(=O)N1CCCCCC1C(=O)[O-])CC(C)C	REAL300012485090	0	59	0.0	-74.22	392.06	10.68	-63.54
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)CC(C)C	REAL300012485091	0	53	0.0	-64.77	369.39	7.09	-57.68
CC[NH+](CC)C(CNC(=O)N(C)C(C)C(=O)[O-])CC(C)C	REAL300012485092	0	52	0.0	-61.04	363.01	8.62	-52.42
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CC[NH+](CC)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])CC(C)C	REAL300012485094	0	62	0.0	-51.86	447.80	13.04	-38.82
CC[NH+](CC)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])CC(C)C	REAL300012485095	0	56	0.0	-70.36	390.85	10.05	-60.31
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)CC(C)C	REAL300012485096	0	59	0.0	-51.01	407.96	11.05	-39.96
CC[NH+](CC)C(CNC(=O)NC(COC)C(=O)[O-])CC(C)C	REAL300012485097	0	53	0.0	-63.09	378.93	5.61	-57.48
CCCCCC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485098	0	61	0.0	-70.47	435.94	9.52	-60.95
CCC1CCC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)(C(=O)[O-])CC1	REAL300012485099	0	65	0.0	-72.41	435.68	10.82	-61.59
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)CC(C)C	REAL300012485100	0	60	0.0	-52.50	409.46	8.86	-43.64
CC[NH+](CC)C(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)CC(C)C	REAL300012485101	0	59	0.0	-76.58	392.84	9.64	-66.94
CC[NH+](CC)C(CNC(=O)N(C(C)C(=O)[O-])C1CC1)CC(C)C	REAL300012485102	0	56	0.0	-49.56	383.17	9.55	-40.01
CCC(C(=O)[O-])N(C(=O)NCC(CC(C)C)[NH+](CC)CC)C1CC1	REAL300012485103	0	59	0.0	-57.98	408.27	10.50	-47.48
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)CC(C)C	REAL300012485104	0	56	0.0	-67.51	419.08	9.84	-57.67
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)CC(C)C	REAL300012485105	0	56	0.0	-70.77	411.27	9.57	-61.20
CC[NH+](CC)C(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])CC(C)C	REAL300012485106	0	60	0.0	-51.94	424.22	12.16	-39.78
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])CC(C)C	REAL300012485107	0	59	0.0	-64.49	441.15	10.09	-54.40
CC[NH+](CC)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])CC(C)C	REAL300012485108	0	65	0.0	-67.75	448.64	9.65	-58.10
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)CC(C)C	REAL300012485109	0	62	0.0	-43.95	441.64	13.46	-30.49
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1)CC(C)C	REAL300012485110	0	59	0.0	-68.01	429.31	9.89	-58.12
CC[NH+](CC)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC(C)C	REAL300012485111	0	52	0.0	-58.72	389.98	8.37	-50.35
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)CC(C)C	REAL300012485112	0	62	0.0	-69.66	447.31	10.96	-58.70
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)CC(C)C	REAL300012485113	0	57	0.0	-68.57	392.35	8.49	-60.08
CC[NH+](CC)C(CNC(=O)NC(C)(COC)C(=O)[O-])CC(C)C	REAL300012485114	0	56	0.0	-66.06	389.46	7.03	-59.03
CCOCC(C(=O)[O-])N(C)C(=O)NCC(CC(C)C)[NH+](CC)CC	REAL300012485115	0	59	0.0	-66.02	414.79	8.52	-57.50
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(C)C)CC(C)C	REAL300012485116	0	58	0.0	-42.79	406.31	10.67	-32.12
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(CC(C)C)[NH+](CC)CC	REAL300012485117	0	65	0.0	-51.38	447.72	12.27	-39.11
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CC1)CC(C)C	REAL300012485118	0	53	0.0	-43.62	371.82	9.90	-33.72
CC[NH+](CC)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC(C)C	REAL300012485119	0	55	0.0	-53.86	409.17	10.16	-43.70
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCOC1)CC(C)C	REAL300012485120	0	54	0.0	-66.42	372.61	5.89	-60.53
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)CC(C)C	REAL300012485121	0	62	0.0	-66.34	426.73	9.86	-56.48
CC[NH+](CC)C(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])CC(C)C	REAL300012485122	0	63	0.0	-65.32	441.46	10.54	-54.78
CC[NH+](CC)C(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)CC(C)C	REAL300012485123	0	63	0.0	-45.72	444.14	13.27	-32.45
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)CC(C)C	REAL300012485124	0	57	0.0	-71.87	386.10	6.33	-65.54
C=CCCC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485125	0	56	0.0	-66.68	401.82	8.24	-58.44
CC[NH+](CC)C(CNC(=O)NC(CF)C(=O)[O-])CC(C)C	REAL300012485126	0	49	0.0	-53.32	351.81	5.81	-47.51
CC[NH+](CC)C(CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])CC(C)C	REAL300012485127	0	62	0.0	-49.90	428.89	12.07	-37.83
CC[NH+](CC)C(CNC(=O)N(C)C(C)C(=O)[O-])CC(C)C	REAL300012485128	0	52	0.0	-61.04	363.01	8.62	-52.42
CC[NH+](CC)C(CNC(=O)NC(CC)(CC)C(=O)[O-])CC(C)C	REAL300012485129	0	58	0.0	-62.63	393.52	9.07	-53.56
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1)CC(C)C	REAL300012485130	0	60	0.0	-65.78	430.83	7.97	-57.81
CCC(C)N(CC(=O)[O-])C(=O)NCC(CC(C)C)[NH+](CC)CC	REAL300012485131	0	58	0.0	-52.25	401.72	11.20	-41.05
CC[NH+](CC)C(CNC(=O)NC(CC)(COC)C(=O)[O-])CC(C)C	REAL300012485132	0	59	0.0	-72.52	409.24	7.34	-65.18
CC[NH+](CC)C(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])CC(C)C	REAL300012485133	0	62	0.0	-62.69	436.24	9.83	-52.86
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)CC(C)C	REAL300012485134	0	59	0.0	-67.94	419.08	6.06	-61.88
CC[NH+](CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])CC(C)C	REAL300012485135	0	56	0.0	-69.24	404.58	9.20	-60.04
CC[NH+](CC)C(CNC(=O)NC(CCOC)C(=O)[O-])CC(C)C	REAL300012485136	0	56	0.0	-66.58	403.03	5.86	-60.72
CC[NH+](CC)C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])CC(C)C	REAL300012485137	0	61	0.0	-68.51	427.48	10.38	-58.13
CC[NH+](CC)C(CNC(=O)NC(CC(F)F)C(=O)[O-])CC(C)C	REAL300012485138	0	52	0.0	-61.72	384.22	8.10	-53.62
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(CC(C)C)[NH+](CC)CC	REAL300012485139	0	62	0.0	-76.86	423.49	12.10	-64.76
CCCN(C(=O)NCC(CC(C)C)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012485140	0	58	0.0	-51.23	399.25	9.91	-41.32
CC[NH+](CC)C(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])CC(C)C	REAL300012485141	0	62	0.0	-47.79	440.27	12.60	-35.19
CC[NH+](CC)C(CNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1)CC(C)C	REAL300012485142	0	62	0.0	-70.35	425.97	10.33	-60.02
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1)CC(C)C	REAL300012485143	0	66	0.0	-67.11	458.52	9.14	-57.97
CC[NH+](CC)C(CNC(=O)NC(CCF)C(=O)[O-])CC(C)C	REAL300012485144	0	52	0.0	-69.03	377.21	7.36	-61.67
CC[NH+](CC)C(CNC(=O)NC(CC1(OC)CCC1)C(=O)[O-])CC(C)C	REAL300012485145	0	63	0.0	-69.68	438.86	8.53	-61.15
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)CC(C)C	REAL300012485146	0	60	0.0	-52.50	409.46	8.86	-43.64
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)CC(C)C	REAL300012485147	0	62	0.0	-52.51	423.90	11.88	-40.63
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)CC(C)C	REAL300012485148	0	62	0.0	-67.09	408.26	9.26	-57.83
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1)CC(C)C	REAL300012485149	0	60	0.0	-67.37	436.94	8.17	-59.20
CC[NH+](CC)C(CNC(=O)NC(C)(CCF)C(=O)[O-])CC(C)C	REAL300012485150	0	55	0.0	-60.41	384.80	8.18	-52.23
CC[NH+](CC)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])CC(C)C	REAL300012485151	0	57	0.0	-72.67	406.49	9.52	-63.15
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])CC(C)C	REAL300012485152	0	53	0.0	-64.26	382.28	8.85	-55.41
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1)CC(C)C	REAL300012485153	0	60	0.0	-67.77	439.69	9.03	-58.74
CC[NH+](CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC(C)C	REAL300012485154	0	52	0.0	-62.74	364.04	8.92	-53.82
CC[NH+](CC)C(CNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-])CC(C)C	REAL300012485155	0	62	0.0	-74.06	436.08	11.60	-62.46
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-])CC(C)C	REAL300012485156	0	63	0.0	-64.92	462.61	9.88	-55.04
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)CC(C)C	REAL300012485157	0	65	0.0	-68.55	434.57	9.89	-58.66
CC[NH+](CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)CC(C)C	REAL300012485158	0	54	0.0	-78.46	377.74	10.31	-68.15
CC[NH+](CC)C(CNC(=O)N1CC(OC)CC1(C)C(=O)[O-])CC(C)C	REAL300012485159	0	60	0.0	-75.20	423.21	9.11	-66.09
CC[NH+](CC)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])CC(C)C	REAL300012485160	0	63	0.0	-67.04	438.48	8.20	-58.84
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC(C)C	REAL300012485161	0	58	0.0	-69.36	395.95	7.72	-61.64
C=C(Cl)CC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485162	0	53	0.0	-62.46	395.53	8.44	-54.02
C=C(C)CC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485163	0	56	0.0	-62.11	400.93	8.57	-53.54
CC[NH+](CC)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)CC(C)C	REAL300012485164	0	57	0.0	-81.20	388.48	10.63	-70.57
CC[NH+](CC)C(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])CC(C)C	REAL300012485165	0	62	0.0	-68.21	435.04	10.64	-57.57
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])CC(C)C	REAL300012485166	0	53	0.0	-70.03	386.54	8.47	-61.56
CC[NH+](CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])CC(C)C	REAL300012485167	0	53	0.0	-68.36	380.28	9.59	-58.77
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(CC(C)C)[NH+](CC)CC)C1	REAL300012485168	0	54	0.0	-74.66	378.35	8.94	-65.72
CC[NH+](CC)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])CC(C)C	REAL300012485169	0	63	0.0	-68.74	441.30	9.15	-59.59
CC[NH+](CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC(C)C	REAL300012485170	0	58	0.0	-62.06	411.17	9.17	-52.89
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)CC(C)C	REAL300012485171	0	60	0.0	-74.10	415.44	7.13	-66.97
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CC(C)C	REAL300012485172	0	56	0.0	-66.78	407.19	8.97	-57.81
CC[NH+](CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])CC(C)C	REAL300012485173	0	56	0.0	-69.24	404.58	9.20	-60.04
CC[NH+](CC)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])CC(C)C	REAL300012485174	0	55	0.0	-65.15	410.08	6.82	-58.33
CC[NH+](CC)C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])CC(C)C	REAL300012485175	0	64	0.0	-66.48	453.82	10.68	-55.80
CC[NH+](CC)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])CC(C)C	REAL300012485176	0	60	0.0	-73.08	429.01	8.07	-65.01
CC[NH+](CC)C(CNC(=O)NC(CSC)C(=O)[O-])CC(C)C	REAL300012485177	0	53	0.0	-60.74	393.75	7.80	-52.94
CC[NH+](CC)C(CNC(=O)N[C@@H](COC)C(=O)[O-])CC(C)C	REAL300012485178	0	53	0.0	-70.27	389.12	5.18	-65.09
CC[C@H](NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485179	0	52	0.0	-61.29	366.26	7.41	-53.88
CC[NH+](CC)C(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC(C)C	REAL300012485180	0	59	0.0	-66.37	442.04	10.02	-56.35
CCC(C)CC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485181	0	61	0.0	-67.05	423.61	8.88	-58.17
C=CCCCC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485182	0	59	0.0	-67.04	428.51	9.92	-57.12
CC[NH+](CC)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC(C)C	REAL300012485183	0	59	0.0	-62.40	431.86	10.45	-51.95
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)CC(C)C	REAL300012485184	0	62	0.0	-69.41	454.37	11.19	-58.22
CC[NH+](CC)C(CNC(=O)N1CCSCC1C(=O)[O-])CC(C)C	REAL300012485185	0	54	0.0	-75.00	375.08	10.55	-64.45
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)CC(C)C	REAL300012485186	0	59	0.0	-63.67	417.83	10.59	-53.08
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])CC(C)C	REAL300012485187	0	53	0.0	-76.23	377.14	7.93	-68.30
CCCC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485188	0	55	0.0	-69.83	392.11	7.98	-61.85
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC(C)C	REAL300012485189	0	55	0.0	-63.75	384.41	8.06	-55.69
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])CC(C)C	REAL300012485190	0	57	0.0	-77.69	392.76	11.23	-66.46
CCN(C(=O)NCC(CC(C)C)[NH+](CC)CC)C(C)(C)C(=O)[O-]	REAL300012485191	0	58	0.0	-69.53	394.71	10.05	-59.48
CCCN(C(=O)NCC(CC(C)C)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012485192	0	58	0.0	-51.23	399.25	9.91	-41.32
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC(C)C	REAL300012485193	0	52	0.0	-60.31	379.83	9.22	-51.09
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC(C)C	REAL300012485194	0	52	0.0	-60.31	379.83	9.22	-51.09
CC[NH+](CC)C(CNC(=O)N(C)C(C)(C)C(=O)[O-])CC(C)C	REAL300012485195	0	55	0.0	-66.60	375.63	9.04	-57.56
CC[NH+](CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])CC(C)C	REAL300012485196	0	53	0.0	-74.85	369.27	8.78	-66.07
CC[NH+](CC)C(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])CC(C)C	REAL300012485197	0	65	0.0	-45.40	458.13	7.31	-38.09
CC[NH+](CC)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])CC(C)C	REAL300012485198	0	54	0.0	-76.21	383.47	6.05	-70.16
CC[NH+](CC)C(CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])CC(C)C	REAL300012485199	1	69	0.0	-54.98	474.47	6.98	-48.00
CC[NH+](CC)C(CNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-])CC(C)C	REAL300012485200	0	60	0.0	-72.65	419.98	11.72	-60.93
CC[NH+](CC)C(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])CC(C)C	REAL300012485201	0	63	0.0	-56.82	434.32	11.86	-44.96
CCC[C@@H](NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485202	0	55	0.0	-69.69	392.20	8.17	-61.52
CC[NH+](CC)C(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])CC(C)C	REAL300012485203	0	61	0.0	-66.65	428.85	10.88	-55.77
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC(C)C	REAL300012485204	0	56	0.0	-64.68	407.46	8.88	-55.80
CC[NH+](CC)C(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])CC(C)C	REAL300012485205	0	61	0.0	-65.85	446.99	9.42	-56.43
C=CCCC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485206	0	56	0.0	-66.68	401.82	8.24	-58.44
CC[NH+](CC)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])CC(C)C	REAL300012485207	0	55	0.0	-66.92	416.36	7.08	-59.84
CC[NH+](CC)C(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])CC(C)C	REAL300012485208	0	56	0.0	-84.67	399.49	7.01	-77.66
CC[NH+](CC)C(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])CC(C)C	REAL300012485209	0	57	0.0	-64.65	388.79	7.66	-56.99
CC[NH+](CC)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])CC(C)C	REAL300012485210	0	56	0.0	-73.59	382.84	9.60	-63.99
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)CC(C)C	REAL300012485211	0	55	0.0	-63.04	386.07	7.95	-55.09
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)CC(C)C	REAL300012485212	0	56	0.0	-70.91	408.11	9.13	-61.78
CC[NH+](CC)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])CC(C)C	REAL300012485213	0	59	0.0	-71.34	417.59	8.49	-62.85
CC[NH+](CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC(C)C	REAL300012485214	0	52	0.0	-62.74	364.04	8.92	-53.82
CCC[C@H](NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485215	0	55	0.0	-66.96	394.51	8.63	-58.33
CCN(C(=O)NCC(CC(C)C)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012485216	0	55	0.0	-68.55	381.80	10.30	-58.25
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)CC(C)C	REAL300012485217	0	59	0.0	-51.01	407.96	11.05	-39.96
CC[NH+](CC)C(CNC(=O)N(C)CC(C)C(=O)[O-])CC(C)C	REAL300012485218	0	55	0.0	-72.68	385.25	9.38	-63.30
CC[C@H](C)[C@H](NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485219	0	58	0.0	-69.51	403.49	8.65	-60.86
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(CC(C)C)[NH+](CC)CC	REAL300012485220	0	55	0.0	-63.49	377.00	8.71	-54.78
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)CC(C)C	REAL300012485221	0	57	0.0	-71.82	404.38	5.69	-66.13
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC(C)C	REAL300012485222	0	65	0.0	-71.66	455.76	9.00	-62.66
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)CC(C)C	REAL300012485223	0	59	0.0	-71.73	408.05	8.80	-62.93
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)CC(C)C	REAL300012485224	0	62	0.0	-72.89	411.02	9.73	-63.16
CC[NH+](CC)C(CNC(=O)NC(CCOC)C(=O)[O-])CC(C)C	REAL300012485225	0	56	0.0	-66.58	403.03	5.86	-60.72
CC[NH+](CC)C(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])CC(C)C	REAL300012485226	0	62	0.0	-69.60	442.64	12.64	-56.96
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)CC(C)C	REAL300012485227	0	59	0.0	-70.54	412.07	9.99	-60.55
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)CC(C)C	REAL300012485228	0	56	0.0	-68.66	393.44	8.40	-60.26
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC(C)C	REAL300012485229	0	65	0.0	-67.69	456.94	9.12	-58.57
CC[NH+](CC)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])CC(C)C	REAL300012485230	0	54	0.0	-74.44	382.71	6.18	-68.26
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)CC(C)C	REAL300012485231	0	57	0.0	-65.26	405.82	5.94	-59.32
CC[NH+](CC)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])CC(C)C	REAL300012485232	0	57	0.0	-82.22	392.84	10.35	-71.87
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)CC(C)C	REAL300012485233	0	60	0.0	-73.36	432.99	8.83	-64.53
CC[NH+](CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)CC(C)C	REAL300012485234	0	55	0.0	-77.00	383.57	7.91	-69.09
CC[NH+](CC)C(CNC(=O)N1CC(C)CCC1C(=O)[O-])CC(C)C	REAL300012485235	0	59	0.0	-74.68	402.68	10.76	-63.92
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)CC(C)C	REAL300012485236	0	62	0.0	-69.10	447.40	10.79	-58.31
CC[NH+](CC)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])CC(C)C	REAL300012485237	0	63	0.0	-68.63	442.29	11.48	-57.15
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)CC(C)C	REAL300012485238	0	56	0.0	-70.40	390.61	8.28	-62.12
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)CC(C)C	REAL300012485239	0	69	0.0	-70.44	465.91	10.57	-59.87
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)CC(C)C	REAL300012485240	0	62	0.0	-66.34	426.73	9.86	-56.48
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)CC(C)C	REAL300012485241	0	56	0.0	-70.40	390.61	8.28	-62.12
CC[NH+](CC)C(CNC(=O)N1CCC(C)C1C(=O)[O-])CC(C)C	REAL300012485242	0	56	0.0	-69.66	392.84	10.01	-59.65
C=CCC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485243	0	53	0.0	-63.37	387.37	8.13	-55.24
CC[NH+](CC)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])CC(C)C	REAL300012485244	0	63	0.0	-65.88	441.30	8.56	-57.32
CC[NH+](CC)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)CC(C)C	REAL300012485245	0	63	0.0	-44.01	412.77	11.11	-32.90
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)CC(C)C	REAL300012485246	0	63	0.0	-73.65	416.80	8.33	-65.32
CC[NH+](CC)C(CNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-])CC(C)C	REAL300012485247	0	63	0.0	-80.94	434.26	12.32	-68.62
CC[NH+](CC)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])CC(C)C	REAL300012485248	0	57	0.0	-50.97	394.66	10.55	-40.42
CC[NH+](CC)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])CC(C)C	REAL300012485249	0	63	0.0	-68.63	442.29	11.48	-57.15
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC(C)C	REAL300012485250	0	59	0.0	-72.51	431.92	10.47	-62.04
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(OC)C1)CC(C)C	REAL300012485251	0	57	0.0	-75.22	401.68	7.05	-68.17
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)CC(C)C	REAL300012485252	0	53	0.0	-73.41	380.50	8.08	-65.33
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)CC(C)C	REAL300012485253	0	57	0.0	-68.68	404.94	6.63	-62.05
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)CC(C)C	REAL300012485254	0	56	0.0	-69.24	415.16	8.55	-60.69
CC[NH+](CC)C(CNC(=O)N1CCCC1(CC)C(=O)[O-])CC(C)C	REAL300012485255	0	59	0.0	-69.27	403.65	9.84	-59.43
CC[NH+](CC)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC(C)C	REAL300012485256	0	52	0.0	-58.72	389.98	8.37	-50.35
CC[NH+](CC)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])CC(C)C	REAL300012485257	0	60	0.0	-67.75	421.97	7.44	-60.31
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])COC1)CC(C)C	REAL300012485258	0	51	0.0	-63.92	365.16	5.36	-58.56
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])CC(C)C	REAL300012485259	0	56	0.0	-65.86	422.36	9.14	-56.72
CC[NH+](CC)C(CNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1)CC(C)C	REAL300012485260	0	63	0.0	-67.80	442.07	8.66	-59.14
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)CC(C)C	REAL300012485261	0	58	0.0	-64.22	390.01	8.33	-55.89
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])CC(C)C	REAL300012485262	0	54	0.0	-78.76	380.61	10.54	-68.22
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])CC(C)C	REAL300012485263	0	57	0.0	-71.26	395.00	10.31	-60.95
CC[NH+](CC)C(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])CC(C)C	REAL300012485264	0	62	0.0	-47.79	440.27	12.60	-35.19
CC[NH+](CC)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])CC(C)C	REAL300012485265	0	65	0.0	-67.75	448.64	9.65	-58.10
CC[NH+](CC)C(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])CC(C)C	REAL300012485266	0	62	0.0	-65.36	452.35	11.13	-54.23
CC[NH+](CC)C(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])CC(C)C	REAL300012485267	0	62	0.0	-68.43	455.21	11.52	-56.91
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)CC(C)C	REAL300012485268	0	63	0.0	-69.15	432.75	9.58	-59.57
CC[NH+](CC)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])CC(C)C	REAL300012485269	0	65	0.0	-64.84	457.61	10.26	-54.58
CC[NH+](CC)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])CC(C)C	REAL300012485270	0	65	0.0	-69.02	457.94	10.23	-58.79
CC[NH+](CC)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])CC(C)C	REAL300012485271	0	63	0.0	-35.22	422.96	11.20	-24.02
CC[NH+](CC)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])CC(C)C	REAL300012485272	0	63	0.0	-73.31	421.47	10.59	-62.72
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-])CC(C)C	REAL300012485273	0	63	0.0	-70.43	460.63	10.11	-60.32
C=CCSCC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485274	0	57	0.0	-63.58	425.26	8.78	-54.80
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])CC(C)C	REAL300012485275	0	60	0.0	-70.85	453.76	11.04	-59.81
CCC(C(=O)[O-])N(CC)C(=O)NCC(CC(C)C)[NH+](CC)CC	REAL300012485276	0	58	0.0	-61.86	389.62	10.11	-51.75
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1(OC)CCC1)CC(C)C	REAL300012485277	0	60	0.0	-67.60	420.12	6.49	-61.11
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)CC(C)C	REAL300012485278	0	62	0.0	-76.80	432.87	10.38	-66.42
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)CC(C)C	REAL300012485279	0	63	0.0	-66.04	434.53	11.51	-54.53
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)CC(C)C	REAL300012485280	0	56	0.0	-63.01	402.17	8.99	-54.02
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1)CC(C)C	REAL300012485282	0	65	0.0	-67.93	461.54	10.61	-57.32
CC[NH+](CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])CC(C)C	REAL300012485283	0	53	0.0	-68.36	380.28	9.59	-58.77
CC[NH+](CC)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])CC(C)C	REAL300012485284	0	55	0.0	-37.14	379.12	9.38	-27.76
CC[NH+](CC)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])CC(C)C	REAL300012485285	0	59	0.0	-76.04	408.95	10.23	-65.81
CCOC1=CC=C(C(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-])C=C1	REAL300012485286	0	63	0.0	-67.83	452.42	8.98	-58.85
CC[NH+](CC)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])CC(C)C	REAL300012485287	0	63	0.0	-77.30	432.96	11.55	-65.75
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)CC(C)C	REAL300012485288	0	63	0.0	-62.79	451.48	11.96	-50.83
CC[NH+](CC)C(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])CC(C)C	REAL300012485289	0	63	0.0	-76.30	449.54	10.45	-65.85
CC[NH+](CC)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])CC(C)C	REAL300012485290	0	59	0.0	-71.63	443.43	9.88	-61.75
CC[NH+](CC)C(CNC(=O)NC(CCC(C)C)C(=O)[O-])CC(C)C	REAL300012485291	0	61	0.0	-66.32	429.92	8.85	-57.47
CC[NH+](CC)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])CC(C)C	REAL300012485292	0	60	0.0	-53.68	417.95	10.36	-43.32
CC[NH+](CC)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])CC(C)C	REAL300012485293	0	60	0.0	-67.75	421.97	7.44	-60.31
CC[NH+](CC)C(CNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-])CC(C)C	REAL300012485294	0	57	0.0	-68.37	409.19	10.46	-57.91
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)CC(C)C	REAL300012485295	0	60	0.0	-71.62	405.16	9.97	-61.65
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)CC(C)C	REAL300012485296	0	57	0.0	-66.99	389.57	9.32	-57.67
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)CC(C)C	REAL300012485297	0	60	0.0	-71.81	407.96	8.95	-62.86
CC[NH+](CC)C(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])CC(C)C	REAL300012485298	0	62	0.0	-65.76	434.63	11.56	-54.20
CC[NH+](CC)C(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)CC(C)C	REAL300012485299	0	66	0.0	-35.61	452.32	11.41	-24.20
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)CC(C)C	REAL300012485300	0	59	0.0	-67.92	407.75	8.30	-59.62
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC(C)C	REAL300012485301	0	56	0.0	-62.80	397.09	6.62	-56.18
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)CC(C)C	REAL300012485302	0	56	0.0	-73.81	392.18	8.86	-64.95
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)CC(C)C	REAL300012485303	0	59	0.0	-45.91	425.18	11.39	-34.52
CC[NH+](CC)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])CC(C)C	REAL300012485304	0	59	0.0	-46.64	412.67	10.38	-36.26
CC[NH+](CC)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])CC(C)C	REAL300012485305	0	56	0.0	-75.39	393.55	10.66	-64.73
CC[NH+](CC)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])CC(C)C	REAL300012485306	0	53	0.0	-71.20	382.74	8.91	-62.29
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC(C)C	REAL300012485307	0	59	0.0	-72.51	431.92	10.47	-62.04
CC[NH+](CC)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC(C)C	REAL300012485308	0	56	0.0	-67.68	416.10	9.39	-58.29
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])CC(C)C	REAL300012485309	0	56	0.0	-63.11	396.76	9.86	-53.25
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)CC(C)C	REAL300012485310	0	60	0.0	-70.62	428.34	9.36	-61.26
CC[NH+](CC)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC(C)C	REAL300012485311	0	56	0.0	-67.68	416.10	9.39	-58.29
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])CC(C)C	REAL300012485312	0	60	0.0	-81.08	405.63	10.25	-70.83
CC[NH+](CC)C(CNC(=O)NC(CCCOC)C(=O)[O-])CC(C)C	REAL300012485313	0	59	0.0	-68.07	427.76	7.49	-60.58
CCCC(C(=O)[O-])N(C)C(=O)NCC(CC(C)C)[NH+](CC)CC	REAL300012485314	0	58	0.0	-62.39	402.46	10.08	-52.31
CCOCC(NC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300012485315	0	56	0.0	-70.47	405.82	6.85	-63.62
CC[NH+](CC)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC(C)C	REAL300012485316	0	61	0.0	-67.65	417.41	9.77	-57.88
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)CC(C)C	REAL300012485317	0	60	0.0	-65.60	421.70	7.90	-57.70
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)CC(C)C	REAL300012485318	0	60	0.0	-68.66	431.38	10.19	-58.47
CC[NH+](CC)C(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])CC(C)C	REAL300012485319	0	57	0.0	-53.16	394.53	7.26	-45.90
CC[NH+](CC)C(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])CC(C)C	REAL300012485320	0	59	0.0	-66.02	414.94	9.76	-56.26
CC[NH+](CC)C(CNC(=O)NC(CCC#N)C(=O)[O-])CC(C)C	REAL300012485321	0	53	0.0	-68.83	392.60	8.34	-60.49
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)CC(C)C	REAL300012485322	0	56	0.0	-58.02	403.45	9.89	-48.13
CC[NH+](CC)C(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])CC(C)C	REAL300012485323	0	67	0.0	-77.08	449.73	10.44	-66.64
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])CC(C)C	REAL300012485324	0	58	0.0	-64.03	442.72	9.53	-54.50
CC[NH+](CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])CC(C)C	REAL300012485325	0	52	0.0	-60.02	355.12	7.61	-52.41
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(CC(C)C)[NH+](CC)CC)C1	REAL300012485326	0	60	0.0	-72.26	425.74	9.57	-62.69
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CN=C2)CC1	REAL300012485430	0	52	0.0	-60.18	402.30	6.17	-54.01
CC(C)C[C@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485526	1	57	0.0	-80.18	439.51	7.67	-72.51
C=CCOCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485527	1	56	0.0	-80.76	446.95	6.11	-74.65
C=CC(C)C(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485528	1	55	0.0	-80.01	425.63	7.25	-72.76
CC1CCN(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C(C(=O)[O-])C1	REAL300012485529	1	58	0.0	-88.38	431.43	9.87	-78.51
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485530	1	54	0.0	-65.70	420.25	8.91	-56.79
CC(C(=O)[O-])N(C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CCC1	REAL300012485531	1	58	0.0	-67.47	433.31	9.31	-58.16
CCCN(C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(CC)C(=O)[O-]	REAL300012485532	1	60	0.0	-59.64	445.01	10.55	-49.09
CC(C)C(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485533	1	54	0.0	-80.28	413.52	6.66	-73.62
O=C([O-])C1CCCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485534	1	55	0.0	-89.11	411.12	9.48	-79.63
O=C([O-])C1CSCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485535	1	53	0.0	-86.70	410.73	9.38	-77.32
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCCCC1	REAL300012485536	1	58	0.0	-83.15	430.34	8.56	-74.59
O=C([O-])C1CCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485537	1	52	0.0	-85.70	399.58	8.25	-77.45
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCCC1	REAL300012485538	1	55	0.0	-83.63	415.25	7.41	-76.22
O=C([O-])CNC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485539	1	45	0.0	-70.43	358.21	4.48	-65.95
O=C([O-])[C@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1=CC=CC=C1	REAL300012485540	1	55	0.0	-81.01	437.00	8.40	-72.61
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1=CC=CC=C1	REAL300012485541	1	55	0.0	-80.86	436.74	8.49	-72.37
CCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485542	1	51	0.0	-79.08	399.99	6.35	-72.73
CC(C)C(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485543	1	54	0.0	-80.28	413.52	6.66	-73.62
CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485544	1	48	0.0	-78.98	376.95	7.16	-71.82
CC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485545	1	48	0.0	-70.85	378.83	5.34	-65.51
CCC(C)C(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485546	1	57	0.0	-80.84	432.07	7.30	-73.54
CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485547	1	48	0.0	-78.98	376.95	7.16	-71.82
O=C([O-])C1CCCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485548	1	55	0.0	-89.11	411.12	9.48	-79.63
CCCC(C)(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485549	1	57	0.0	-79.43	426.46	7.47	-71.96
CC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485550	1	54	0.0	-66.52	408.88	8.43	-58.09
O=C([O-])CN(C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CC1	REAL300012485551	1	52	0.0	-62.84	402.30	8.71	-54.13
C=CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485552	1	52	0.0	-65.46	411.56	8.70	-56.76
CC(C)CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485553	1	57	0.0	-65.01	434.67	9.20	-55.81
CC(C)(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485554	1	51	0.0	-69.39	391.57	5.71	-63.68
CC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)(C(=O)[O-])C1CC1	REAL300012485555	1	55	0.0	-80.73	414.46	7.45	-73.28
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCCCC1	REAL300012485556	1	58	0.0	-83.15	430.34	8.56	-74.59
CC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485557	1	54	0.0	-66.52	408.88	8.43	-58.09
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485558	1	54	0.0	-65.70	420.25	8.91	-56.79
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485559	1	51	0.0	-79.20	398.76	8.15	-71.05
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485560	1	57	0.0	-80.84	432.07	7.31	-73.53
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCCC1	REAL300012485561	1	55	0.0	-83.63	415.25	7.41	-76.22
CCC(C)(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485562	1	54	0.0	-79.15	404.96	6.71	-72.44
C[C@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485563	1	48	0.0	-70.99	379.00	5.31	-65.68
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485564	1	51	0.0	-79.20	398.76	8.15	-71.05
C[C@@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485565	1	48	0.0	-70.88	379.00	5.31	-65.57
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC1	REAL300012485566	1	49	0.0	-84.91	385.15	6.53	-78.38
O=C([O-])C1COCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485567	1	53	0.0	-85.83	402.08	6.86	-78.97
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CC1	REAL300012485568	1	52	0.0	-80.99	407.20	6.83	-74.16
COCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485569	1	55	0.0	-66.30	430.13	7.33	-58.97
O=C([O-])[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485570	1	52	0.0	-86.00	399.83	7.90	-78.10
O=C([O-])[C@H]1CCCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485571	1	55	0.0	-87.83	410.44	9.26	-78.57
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485572	1	51	0.0	-75.72	391.34	7.29	-68.43
O=C([O-])[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485573	1	52	0.0	-85.68	399.57	8.26	-77.42
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCC1	REAL300012485574	1	52	0.0	-84.14	402.06	7.03	-77.11
C=CCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485575	1	52	0.0	-79.34	414.14	6.78	-72.56
CC1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485576	1	55	0.0	-85.49	416.66	8.80	-76.69
O=C([O-])C1CCCCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485577	1	58	0.0	-86.69	423.92	9.82	-76.87
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CC1	REAL300012485578	1	52	0.0	-80.99	407.20	6.83	-74.16
CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485579	1	51	0.0	-76.47	390.78	7.33	-69.14
CCCCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485580	1	57	0.0	-79.07	442.99	7.89	-71.18
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485581	1	55	0.0	-85.52	416.73	8.78	-76.74
O=C([O-])CN(C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CCCC1	REAL300012485582	1	58	0.0	-64.49	435.11	9.72	-54.77
COCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485583	1	52	0.0	-80.81	412.20	4.56	-76.25
CCCCCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485584	1	60	0.0	-79.75	465.32	8.66	-71.09
CN(C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1(C(=O)[O-])CCCC1	REAL300012485585	1	58	0.0	-85.92	426.28	9.15	-76.77
CC(C(=O)[O-])N(C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CC1	REAL300012485586	1	55	0.0	-68.86	417.16	8.85	-60.01
CCC(C(=O)[O-])N(C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CC1	REAL300012485587	1	58	0.0	-79.67	432.60	9.78	-69.89
COCC(C)(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485588	1	55	0.0	-83.64	423.21	6.00	-77.64
CCOCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485589	1	58	0.0	-77.72	442.59	7.83	-69.89
CC(C)CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485590	1	57	0.0	-65.01	434.67	9.20	-55.81
O=C([O-])CN(C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CC1	REAL300012485591	1	52	0.0	-62.84	402.30	8.71	-54.13
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCOC1	REAL300012485592	1	53	0.0	-79.05	406.47	4.84	-74.21
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCOCC1	REAL300012485593	1	56	0.0	-82.53	421.76	6.05	-76.48
C=CCCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485594	1	55	0.0	-79.47	435.14	7.66	-71.81
O=C([O-])C(CF)NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485595	1	48	0.0	-68.34	382.45	5.35	-62.99
CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485596	1	51	0.0	-76.47	390.78	7.33	-69.14
CCC(CC)(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485597	1	57	0.0	-80.13	421.34	7.60	-72.53
CCC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485598	1	57	0.0	-63.34	432.07	9.60	-53.74
CCC(COC)(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485599	1	58	0.0	-84.98	439.88	6.90	-78.08
O=C([O-])C(CC1CC1)NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485600	1	55	0.0	-79.00	431.61	7.93	-71.07
COCCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485601	1	55	0.0	-79.44	433.66	5.41	-74.03
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485602	1	60	0.0	-77.04	449.07	9.81	-67.23
O=C([O-])C(CC(F)F)NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485603	1	51	0.0	-75.24	411.44	6.86	-68.38
CCCN(C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(C)C(=O)[O-]	REAL300012485604	1	57	0.0	-76.47	429.91	8.88	-67.59
O=C([O-])C(CCF)NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485605	1	51	0.0	-78.09	406.58	6.50	-71.59
CC(CCF)(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485606	1	54	0.0	-76.31	411.55	6.85	-69.46
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485607	1	52	0.0	-79.69	413.33	8.10	-71.59
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485608	1	51	0.0	-75.90	391.34	7.30	-68.60
O=C([O-])C12CC(C1)CN2C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485609	1	53	0.0	-91.20	406.89	8.88	-82.32
CC(C)(C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485610	1	57	0.0	-79.64	430.00	7.47	-72.17
C=C(Cl)CC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485611	1	52	0.0	-79.79	429.26	7.41	-72.38
C=C(C)CC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485612	1	55	0.0	-79.06	433.84	7.55	-71.51
O=C([O-])C12CCC(CC1)N2C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485613	1	56	0.0	-93.55	421.65	9.68	-83.87
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485614	1	52	0.0	-79.68	412.03	8.38	-71.30
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485615	1	52	0.0	-83.51	406.08	8.35	-75.16
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300012485616	1	53	0.0	-85.78	413.82	8.31	-77.47
CC(C)C[C@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485617	1	57	0.0	-80.18	439.51	7.67	-72.51
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1=CC=CC=C1	REAL300012485618	1	55	0.0	-80.86	436.74	8.49	-72.37
O=C([O-])C(CC1CC1)NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485619	1	55	0.0	-79.00	431.61	7.93	-71.07
CSCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485620	1	52	0.0	-77.29	424.30	6.75	-70.54
COC[C@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485621	1	52	0.0	-81.37	412.68	4.59	-76.78
CC[C@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485622	1	51	0.0	-79.13	400.01	6.38	-72.75
CCC(C)CC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485623	1	60	0.0	-80.13	457.76	8.29	-71.84
C=CCCCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485624	1	58	0.0	-79.29	456.64	8.44	-70.85
O=C([O-])C1CSCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485625	1	53	0.0	-86.70	410.73	9.38	-77.32
O=C([O-])[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485626	1	52	0.0	-86.00	399.83	7.90	-78.10
CCCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485627	1	54	0.0	-79.87	422.32	7.10	-72.77
CC(C)[C@@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485628	1	54	0.0	-78.91	415.95	6.95	-71.96
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485629	1	56	0.0	-91.48	421.11	9.81	-81.67
CCN(C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(C)(C)C(=O)[O-]	REAL300012485630	1	57	0.0	-82.17	425.55	9.12	-73.05
CCCN(C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(C)C(=O)[O-]	REAL300012485631	1	57	0.0	-76.47	429.91	8.88	-67.59
CN(C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(C)(C)C(=O)[O-]	REAL300012485632	1	54	0.0	-82.35	405.96	8.25	-74.10
O=C([O-])[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485633	1	52	0.0	-85.68	399.57	8.26	-77.42
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485634	1	53	0.0	-87.96	411.60	4.55	-83.41
CCC[C@@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485635	1	54	0.0	-79.07	422.08	7.16	-71.91
O=C([O-])[C@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1=CC=CC=C1	REAL300012485636	1	55	0.0	-81.01	437.00	8.40	-72.61
C=CCCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485637	1	55	0.0	-79.47	435.14	7.66	-71.81
C[C@]1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485638	1	55	0.0	-85.25	416.68	8.81	-76.44
CC(C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485639	1	54	0.0	-78.47	415.00	6.87	-71.60
O=C([O-])[C@@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1=CC=CC=C1	REAL300012485640	1	55	0.0	-81.28	436.95	8.40	-72.88
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485641	1	51	0.0	-75.90	391.34	7.30	-68.60
CCC[C@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485642	1	54	0.0	-79.87	422.33	7.12	-72.75
CCN(C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(C)C(=O)[O-]	REAL300012485643	1	54	0.0	-80.41	411.61	8.87	-71.54
O=C([O-])CN(C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CCCC1	REAL300012485644	1	58	0.0	-64.49	435.11	9.72	-54.77
CC(CN(C)C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485645	1	54	0.0	-80.73	412.05	7.83	-72.90
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485646	1	57	0.0	-80.84	432.07	7.31	-73.53
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485647	1	54	0.0	-76.41	411.80	8.36	-68.05
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC(CO)C1	REAL300012485648	1	56	0.0	-88.97	432.49	4.24	-84.73
CC1CCC(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)(C(=O)[O-])C1	REAL300012485649	1	58	0.0	-83.18	436.89	8.08	-75.10
COCCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485650	1	55	0.0	-79.44	433.66	5.41	-74.03
CC1(C)CC(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)(C(=O)[O-])C1	REAL300012485651	1	58	0.0	-84.87	438.15	8.76	-76.11
CC1(C(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C(=O)[O-])CC1	REAL300012485652	1	55	0.0	-81.18	422.28	7.68	-73.50
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485653	1	53	0.0	-91.78	410.28	4.74	-87.04
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CCOC1	REAL300012485654	1	56	0.0	-78.44	433.06	5.38	-73.06
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485655	1	56	0.0	-89.96	421.04	9.34	-80.62
O=C([O-])C12COC(CN1C(=O)NCCC[NH+]1CCN(C3=NC=CC=N3)CC1)C2	REAL300012485656	1	54	0.0	-86.83	414.21	7.08	-79.75
CC1CCC(C(=O)[O-])N(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300012485657	1	58	0.0	-88.84	431.75	10.10	-78.74
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CCC1	REAL300012485658	1	55	0.0	-80.63	420.96	7.23	-73.40
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CCC1	REAL300012485659	1	55	0.0	-80.63	420.96	7.23	-73.40
CC1CCN(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1C(=O)[O-]	REAL300012485660	1	55	0.0	-87.18	420.95	8.54	-78.64
C=CCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485661	1	52	0.0	-79.34	414.14	6.78	-72.56
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485662	1	56	0.0	-61.43	422.10	9.22	-52.21
COC1CC(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)(C(=O)[O-])C1	REAL300012485663	1	56	0.0	-86.34	435.41	6.03	-80.31
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC(F)(F)C1	REAL300012485664	1	52	0.0	-82.27	410.38	7.07	-75.20
CO[C@H]1C[C@](NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)(C(=O)[O-])C1	REAL300012485665	1	56	0.0	-81.67	434.24	6.30	-75.37
CCC1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485666	1	58	0.0	-85.98	432.48	9.94	-76.04
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)COC1	REAL300012485667	1	50	0.0	-78.28	392.93	4.09	-74.19
CC(C)C(C)(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485668	1	57	0.0	-80.21	421.69	7.40	-72.81
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485669	1	53	0.0	-89.95	406.75	9.36	-80.59
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485670	1	56	0.0	-88.06	423.01	8.81	-79.25
CCC(C(=O)[O-])N(CC)C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485671	1	57	0.0	-81.52	427.56	9.79	-71.73
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485672	1	52	0.0	-83.51	406.08	8.35	-75.16
O=C([O-])C1C2C=CC(C2)N1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485673	1	54	0.0	-60.96	414.95	9.12	-51.84
CC1(C)CCN(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1C(=O)[O-]	REAL300012485674	1	58	0.0	-87.53	435.72	8.91	-78.62
CC(C)CCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485675	1	60	0.0	-79.93	461.39	8.39	-71.54
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCC2CC21	REAL300012485676	1	56	0.0	-84.93	423.32	8.28	-76.65
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CCCC1	REAL300012485677	1	58	0.0	-81.07	437.30	7.82	-73.25
CO[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485678	1	55	0.0	-80.50	430.34	5.58	-74.92
CC1[C@@H](C)[C@@]1(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485679	1	55	0.0	-86.15	423.33	8.04	-78.11
CC1(C)CC(C(=O)[O-])N(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300012485680	1	58	0.0	-61.11	439.40	9.04	-52.07
O=C([O-])C1N(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCC1(F)F	REAL300012485681	1	52	0.0	-89.42	411.24	8.38	-81.04
COCCCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485682	1	58	0.0	-79.25	456.00	6.17	-73.08
CCCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485683	1	57	0.0	-77.07	432.71	9.25	-67.82
CCOCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485684	1	55	0.0	-81.62	434.54	5.55	-76.07
CC(C)(C)CC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485685	1	60	0.0	-79.70	451.42	8.80	-70.90
C[C@H]1OCCN(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)[C@@H]1C(=O)[O-]	REAL300012485686	1	56	0.0	-85.98	421.60	7.49	-78.49
N#CCCC(NC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012485687	1	52	0.0	-81.21	421.68	6.83	-74.38
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012485688	1	51	0.0	-75.72	391.34	7.29	-68.43
CC1=NC=C2CC(NC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])CCC2=N1	REAL300012485867	0	58	0.0	-64.16	443.33	7.18	-56.98
COC1=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1O	REAL300012486178	0	58	0.0	-61.90	447.73	5.08	-56.82
COC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1O	REAL300012487058	0	55	0.0	-65.82	431.44	4.55	-61.27
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=NC=C2)CC1	REAL300012487288	0	52	0.0	-60.13	402.34	6.18	-53.95
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012487384	0	49	0.0	-72.28	364.33	4.87	-67.41
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012487384	1	49	0.0	-75.07	364.54	4.64	-70.43
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012487385	0	45	0.0	-64.01	364.88	7.07	-56.94
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012487385	1	45	0.0	-71.39	362.77	6.81	-64.58
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012487386	0	45	0.0	-63.77	374.77	7.52	-56.25
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012487386	1	45	0.0	-71.11	372.66	7.26	-63.85
COC1CCN(C(=O)NCCC2CCC[N@@H+]2C)C(C(=O)[O-])C1	REAL300012487387	0	49	0.0	-85.58	357.28	6.76	-78.82
COC1CCN(C(=O)NCCC2CCC[N@H+]2C)C(C(=O)[O-])C1	REAL300012487387	1	49	0.0	-73.88	361.98	7.00	-66.88
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012487388	0	49	0.0	-68.77	369.80	5.17	-63.60
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012487388	1	49	0.0	-74.81	364.46	4.69	-70.12
CC1=CC(C(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])=CC=C1F	REAL300012487389	0	48	0.0	-64.52	378.90	7.65	-56.87
CC1=CC(C(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])=CC=C1F	REAL300012487389	1	48	0.0	-72.21	377.39	7.36	-64.85
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012487390	0	50	0.0	-66.57	387.49	6.84	-59.73
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012487390	1	50	0.0	-76.06	386.38	6.59	-69.47
CC1=CC(C)=CC(C(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])=C1	REAL300012487391	0	51	0.0	-68.34	395.00	8.27	-60.07
CC1=CC(C)=CC(C(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])=C1	REAL300012487391	1	51	0.0	-77.17	393.53	7.99	-69.18
CC1=CC=C(C(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])C=C1C	REAL300012487392	0	51	0.0	-68.36	390.62	8.16	-60.20
CC1=CC=C(C(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])C=C1C	REAL300012487392	1	51	0.0	-76.39	389.12	7.86	-68.53
COC1=CC=C(C(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])C=C1Cl	REAL300012487393	0	49	0.0	-75.10	396.19	6.51	-68.59
COC1=CC=C(C(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])C=C1Cl	REAL300012487393	1	49	0.0	-66.61	397.10	6.83	-59.78
CC1=CC=CC(C(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])=C1C	REAL300012487394	0	51	0.0	-64.63	386.05	8.33	-56.30
CC1=CC=CC(C(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])=C1C	REAL300012487394	1	51	0.0	-75.53	381.38	7.71	-67.82
COC1=CC=C(C(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])C=C1F	REAL300012487395	0	49	0.0	-75.44	385.79	6.06	-69.38
COC1=CC=C(C(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])C=C1F	REAL300012487395	1	49	0.0	-67.36	387.29	6.35	-61.01
C[N@@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012487396	0	51	0.0	-51.99	415.52	10.89	-41.10
C[N@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012487396	1	51	0.0	-56.56	410.20	10.41	-46.15
C[N@@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300012487397	0	48	0.0	-52.91	394.27	10.31	-42.60
C[N@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300012487397	1	48	0.0	-58.11	392.67	10.02	-48.09
CCCN(C(=O)NCCC1CCC[N@@H+]1C)C(COC)C(=O)[O-]	REAL300012487398	0	51	0.0	-72.57	371.64	6.78	-65.79
CCCN(C(=O)NCCC1CCC[N@H+]1C)C(COC)C(=O)[O-]	REAL300012487398	1	51	0.0	-66.16	381.98	8.53	-57.63
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012487399	0	45	0.0	-64.12	368.91	7.47	-56.65
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012487399	1	45	0.0	-71.81	367.43	7.18	-64.63
C[N@@H+]1CCCC1CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012487400	0	43	0.0	-73.76	330.24	8.24	-65.52
C[N@H+]1CCCC1CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012487400	1	43	0.0	-83.44	324.03	7.74	-75.70
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012487401	0	51	0.0	-78.62	349.63	7.48	-71.14
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012487401	1	51	0.0	-79.86	349.67	7.48	-72.38
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012487402	0	48	0.0	-66.40	377.39	8.10	-58.30
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012487402	1	48	0.0	-76.87	372.91	7.61	-69.26
C[N@@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012487403	0	48	0.0	-54.29	372.97	9.70	-44.59
C[N@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012487403	1	48	0.0	-58.99	365.39	9.12	-49.87
C[N@@H+]1CCCC1CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012487404	0	45	0.0	-69.73	356.01	7.15	-62.58
C[N@H+]1CCCC1CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012487404	1	45	0.0	-75.98	350.45	6.75	-69.23
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012487405	0	45	0.0	-69.36	355.79	7.23	-62.13
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012487405	1	45	0.0	-74.87	350.07	6.69	-68.18
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012487406	0	48	0.0	-66.40	377.39	8.10	-58.30
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012487406	1	48	0.0	-76.87	372.91	7.61	-69.26
C[N@@H+]1CCCC1CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012487407	0	49	0.0	-73.65	369.59	9.96	-63.69
C[N@H+]1CCCC1CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012487407	1	49	0.0	-86.33	362.61	9.96	-76.37
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012487408	0	42	0.0	-65.09	343.20	6.07	-59.02
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012487408	1	42	0.0	-73.15	342.06	5.82	-67.33
C[N@@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012487409	0	48	0.0	-52.09	393.52	10.41	-41.68
C[N@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012487409	1	48	0.0	-56.82	388.19	9.93	-46.89
C[N@@H+]1CCCC1CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012487410	0	52	0.0	-68.33	407.35	8.17	-60.16
C[N@H+]1CCCC1CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012487410	1	52	0.0	-77.04	401.98	7.68	-69.36
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCCC2CCC[N@@H+]2C)=C1	REAL300012487411	0	56	0.0	-61.90	430.47	8.02	-53.88
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCCC2CCC[N@H+]2C)=C1	REAL300012487411	1	56	0.0	-56.87	431.96	8.31	-48.56
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012487412	0	45	0.0	-63.98	373.47	7.58	-56.40
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012487412	1	45	0.0	-71.73	371.99	7.29	-64.44
C[N@@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012487413	0	48	0.0	-55.30	377.09	9.67	-45.63
C[N@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012487413	1	48	0.0	-57.08	377.87	9.47	-47.61
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012487414	0	49	0.0	-71.36	375.34	8.46	-62.90
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012487414	1	49	0.0	-77.99	368.62	7.84	-70.15
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012487415	0	45	0.0	-69.93	363.06	7.11	-62.82
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012487415	1	45	0.0	-74.73	360.74	6.84	-67.89
C[N@@H+]1CCCC1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012487416	0	48	0.0	-69.60	363.82	7.93	-61.67
C[N@H+]1CCCC1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012487416	1	48	0.0	-77.07	358.41	7.44	-69.63
CCCCCCC(C)(NC(=O)NCCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300012487417	0	56	0.0	-74.29	404.67	8.06	-66.23
CCCCCCC(C)(NC(=O)NCCC1CCC[N@H+]1C)C(=O)[O-]	REAL300012487417	1	56	0.0	-67.93	409.98	8.54	-59.39
CN(C(=O)NCCC1CCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012487418	0	51	0.0	-73.07	381.98	9.64	-63.43
CN(C(=O)NCCC1CCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012487418	1	51	0.0	-74.57	383.40	9.73	-64.84
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012487419	0	45	0.0	-64.12	368.91	7.47	-56.65
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012487419	1	45	0.0	-71.81	367.43	7.18	-64.63
CN(C(=O)NCCC1CCC[N@@H+]1C)C1(C(=O)[O-])CCCCC1	REAL300012487420	0	51	0.0	-79.39	353.23	8.08	-71.31
CN(C(=O)NCCC1CCC[N@H+]1C)C1(C(=O)[O-])CCCCC1	REAL300012487420	1	51	0.0	-69.65	358.63	8.60	-61.05
C[N@@H+]1CCCC1CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012487421	0	51	0.0	-54.97	399.20	10.67	-44.30
C[N@H+]1CCCC1CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012487421	1	51	0.0	-60.17	393.78	10.18	-49.99
CN(C(=O)NCCC1CCC[N@@H+]1C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012487422	0	48	0.0	-73.28	357.39	8.26	-65.02
CN(C(=O)NCCC1CCC[N@H+]1C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012487422	1	48	0.0	-77.08	360.19	8.91	-68.17
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012487423	0	49	0.0	-73.08	370.57	8.22	-64.86
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012487423	1	49	0.0	-80.04	365.26	7.74	-72.30
C[N@@H+]1CCCC1CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012487424	0	52	0.0	-76.02	411.94	8.09	-67.93
C[N@H+]1CCCC1CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012487424	1	52	0.0	-83.25	406.60	7.60	-75.65
C[N@@H+]1CCCC1CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012487425	0	51	0.0	-54.97	399.20	10.67	-44.30
C[N@H+]1CCCC1CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012487425	1	51	0.0	-60.17	393.78	10.18	-49.99
CCC1CCC(NC(=O)NCCC2CCC[N@@H+]2C)(C(=O)[O-])CC1	REAL300012487426	0	54	0.0	-74.99	376.77	7.34	-67.65
CCC1CCC(NC(=O)NCCC2CCC[N@H+]2C)(C(=O)[O-])CC1	REAL300012487426	1	54	0.0	-77.80	383.05	8.06	-69.74
C[N@@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012487427	0	49	0.0	-53.54	358.76	6.60	-46.94
C[N@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012487427	1	49	0.0	-58.72	357.15	6.30	-52.42
C[N@@H+]1CCCC1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012487428	0	48	0.0	-61.30	391.92	8.71	-52.59
C[N@H+]1CCCC1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012487428	1	48	0.0	-70.94	390.44	8.41	-62.53
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012487429	0	45	0.0	-71.03	364.91	7.41	-63.62
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012487429	1	45	0.0	-77.54	362.28	7.16	-70.38
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012487430	0	45	0.0	-74.76	356.63	7.05	-67.71
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012487430	1	45	0.0	-81.26	354.92	6.81	-74.45
C[N@@H+]1CCCC1CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012487431	0	49	0.0	-57.03	370.84	9.57	-47.46
C[N@H+]1CCCC1CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012487431	1	49	0.0	-61.84	365.21	9.08	-52.76
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012487432	0	48	0.0	-73.22	389.68	8.24	-64.98
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012487432	1	48	0.0	-80.10	388.16	7.94	-72.16
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012487433	0	54	0.0	-70.37	421.88	10.08	-60.29
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012487433	1	54	0.0	-79.97	416.38	9.73	-70.24
C[N@@H+]1CCCC1CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012487434	0	54	0.0	-65.57	399.37	8.30	-57.27
C[N@H+]1CCCC1CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012487434	1	54	0.0	-74.66	394.87	7.79	-66.87
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC1CCC[N@@H+]1C	REAL300012487435	0	51	0.0	-57.74	383.73	10.17	-47.57
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC1CCC[N@H+]1C	REAL300012487435	1	51	0.0	-53.48	381.03	10.34	-43.14
CC1=CC=C(C(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012487436	0	48	0.0	-69.88	373.63	7.64	-62.24
CC1=CC=C(C(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012487436	1	48	0.0	-76.02	371.88	7.42	-68.60
C[N@@H+]1CCCC1CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012487437	0	41	0.0	-62.90	335.79	5.77	-57.13
C[N@H+]1CCCC1CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012487437	1	41	0.0	-67.80	329.64	5.31	-62.49
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012487438	0	51	0.0	-70.85	401.75	9.49	-61.36
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012487438	1	51	0.0	-77.57	396.42	9.01	-68.56
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012487439	0	46	0.0	-64.69	347.05	6.98	-57.71
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012487439	1	46	0.0	-75.15	341.75	6.50	-68.65
CCOCC(C(=O)[O-])N(C)C(=O)NCCC1CCC[N@@H+]1C	REAL300012487440	0	48	0.0	-71.26	356.82	5.98	-65.28
CCOCC(C(=O)[O-])N(C)C(=O)NCCC1CCC[N@H+]1C	REAL300012487440	1	48	0.0	-66.88	362.32	6.49	-60.39
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC1CCC[N@@H+]1C	REAL300012487441	0	54	0.0	-57.85	396.19	10.64	-47.21
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC1CCC[N@H+]1C	REAL300012487441	1	54	0.0	-52.62	401.04	11.04	-41.58
C[N@@H+]1CCCC1CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012487442	0	44	0.0	-53.91	353.60	7.83	-46.08
C[N@H+]1CCCC1CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012487442	1	44	0.0	-55.25	346.89	7.32	-47.93
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012487443	0	51	0.0	-67.27	374.70	7.34	-59.93
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012487443	1	51	0.0	-76.36	367.58	6.87	-69.49
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012487444	0	48	0.0	-65.87	407.94	8.93	-56.94
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012487444	1	48	0.0	-71.48	406.29	8.62	-62.86
CN(C(=O)NCCC1CCC[N@@H+]1C)C(COC1CCC1)C(=O)[O-]	REAL300012487445	0	52	0.0	-72.16	384.07	7.30	-64.86
CN(C(=O)NCCC1CCC[N@H+]1C)C(COC1CCC1)C(=O)[O-]	REAL300012487445	1	52	0.0	-71.55	384.02	7.31	-64.24
C[N@@H+]1CCCC1CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012487446	0	52	0.0	-84.19	389.26	10.61	-73.58
C[N@H+]1CCCC1CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012487446	1	52	0.0	-74.55	390.12	11.09	-63.46
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CCC[N@@H+]1C	REAL300012487447	0	51	0.0	-55.99	379.54	10.44	-45.55
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CCC[N@H+]1C	REAL300012487447	1	51	0.0	-68.69	386.57	10.75	-57.94
COC1=CC=C(C(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012487448	0	49	0.0	-75.23	380.08	5.95	-69.28
COC1=CC=C(C(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012487448	1	49	0.0	-67.31	381.67	6.25	-61.06
CCC(COC)(NC(=O)NCCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300012487449	0	48	0.0	-79.53	353.59	5.15	-74.38
CCC(COC)(NC(=O)NCCC1CCC[N@H+]1C)C(=O)[O-]	REAL300012487449	1	48	0.0	-73.37	354.87	5.46	-67.91
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC1CCC[N@@H+]1C	REAL300012487450	0	51	0.0	-72.05	376.77	6.87	-65.18
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC1CCC[N@H+]1C	REAL300012487450	1	51	0.0	-71.38	377.14	6.67	-64.71
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012487451	0	48	0.0	-73.12	365.90	3.30	-69.82
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012487451	1	48	0.0	-80.12	360.53	2.79	-77.33
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC1CCC[N@@H+]1C	REAL300012487452	0	51	0.0	-83.44	367.48	9.17	-74.27
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC1CCC[N@H+]1C	REAL300012487452	1	51	0.0	-76.12	369.64	9.37	-66.75
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CCC[N@@H+]1C	REAL300012487453	0	51	0.0	-55.04	381.71	10.49	-44.55
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CCC[N@H+]1C	REAL300012487453	1	51	0.0	-53.35	387.96	10.80	-42.55
CCC(NC(=O)NCCC1CCC[N@@H+]1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012487454	0	51	0.0	-74.67	392.23	8.86	-65.81
CCC(NC(=O)NCCC1CCC[N@H+]1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012487454	1	51	0.0	-67.34	393.71	9.15	-58.19
CCC(NC(=O)NCCC1CCC[N@@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012487455	0	51	0.0	-76.92	375.31	8.31	-68.61
CCC(NC(=O)NCCC1CCC[N@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012487455	1	51	0.0	-67.35	380.72	8.78	-58.57
COC1CCCC(C(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])C1	REAL300012487456	0	55	0.0	-78.41	403.63	6.07	-72.34
COC1CCCC(C(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])C1	REAL300012487456	1	55	0.0	-65.92	400.75	6.23	-59.69
COC1(CC(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])CCC1	REAL300012487457	0	52	0.0	-74.24	379.80	5.86	-68.38
COC1(CC(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])CCC1	REAL300012487457	1	52	0.0	-66.94	387.08	6.22	-60.72
C[N@@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012487458	0	49	0.0	-53.54	358.76	6.60	-46.94
C[N@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012487458	1	49	0.0	-58.72	357.15	6.30	-52.42
C[N@@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012487459	0	51	0.0	-57.50	371.50	9.16	-48.34
C[N@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012487459	1	51	0.0	-58.52	366.18	8.68	-49.84
C[C@H]1CC[C@@](NC(=O)NCCC2CCC[N@@H+]2C)(C(=O)[O-])CC1	REAL300012487460	0	51	0.0	-71.85	359.37	7.50	-64.35
C[C@H]1CC[C@@](NC(=O)NCCC2CCC[N@H+]2C)(C(=O)[O-])CC1	REAL300012487460	1	51	0.0	-78.17	357.78	7.19	-70.98
COC1=CC=CC(C(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])=C1	REAL300012487461	0	49	0.0	-77.90	380.17	5.96	-71.94
COC1=CC=CC(C(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])=C1	REAL300012487461	1	49	0.0	-71.96	381.73	6.25	-65.71
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012487462	0	45	0.0	-70.25	368.13	7.48	-62.77
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012487462	1	45	0.0	-76.45	365.59	7.23	-69.22
C[N@@H+]1CCCC1CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012487463	0	46	0.0	-57.78	353.65	7.77	-50.01
C[N@H+]1CCCC1CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012487463	1	46	0.0	-65.15	347.81	7.28	-57.87
C[N@@H+]1CCCC1CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012487464	0	42	0.0	-67.87	332.39	6.85	-61.02
C[N@H+]1CCCC1CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012487464	1	42	0.0	-75.13	327.04	6.35	-68.78
COC1=CC=CC([C@H](NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])=C1	REAL300012487465	0	49	0.0	-77.31	379.58	5.98	-71.33
COC1=CC=CC([C@H](NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])=C1	REAL300012487465	1	49	0.0	-68.97	384.93	6.46	-62.51
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC2CCC[N@@H+]2C)C1	REAL300012487466	0	51	0.0	-83.22	379.23	8.33	-74.89
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC2CCC[N@H+]2C)C1	REAL300012487466	1	51	0.0	-72.94	384.86	8.82	-64.12
COC1=CC=CC(CC(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])=C1	REAL300012487467	0	52	0.0	-75.59	402.36	6.91	-68.68
COC1=CC=CC(CC(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])=C1	REAL300012487467	1	52	0.0	-69.22	407.79	7.40	-61.82
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012487468	0	54	0.0	-79.59	371.26	7.66	-71.93
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012487468	1	54	0.0	-79.35	371.74	7.66	-71.69
C[N@@H+]1CCCC1CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012487469	0	51	0.0	-63.85	394.33	8.61	-55.24
C[N@H+]1CCCC1CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012487469	1	51	0.0	-74.44	392.83	8.32	-66.12
C[N@@H+]1CCCC1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012487470	0	50	0.0	-62.78	388.22	8.41	-54.37
C[N@H+]1CCCC1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012487470	1	50	0.0	-79.59	386.63	8.11	-71.48
COC1CN(C(=O)NCCC2CCC[N@@H+]2C)C(C)(C(=O)[O-])C1	REAL300012487471	0	49	0.0	-81.56	363.65	6.01	-75.55
COC1CN(C(=O)NCCC2CCC[N@H+]2C)C(C)(C(=O)[O-])C1	REAL300012487471	1	49	0.0	-70.69	365.12	6.31	-64.38
C[N@@H+]1CCCC1CCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012487472	0	52	0.0	-67.86	387.20	5.78	-62.08
C[N@H+]1CCCC1CCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012487472	1	52	0.0	-73.36	381.63	6.10	-67.26
C=C(Cl)CC(NC(=O)NCCC1CCC[N@H+]1C)C(=O)[O-]	REAL300012487473	0	42	0.0	-64.98	348.33	6.20	-58.78
C=C(Cl)CC(NC(=O)NCCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300012487473	1	42	0.0	-74.72	343.80	5.64	-69.08
C[N@@H+]1CCCC1CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012487474	0	51	0.0	-64.43	384.01	8.16	-56.27
C[N@H+]1CCCC1CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012487474	1	51	0.0	-75.02	382.50	7.87	-67.15
C[N@@H+]1CCCC1CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012487475	0	42	0.0	-75.12	326.99	6.37	-68.75
C[N@H+]1CCCC1CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012487475	1	42	0.0	-73.76	326.27	6.68	-67.08
C[N@@H+]1CCCC1CCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012487476	0	52	0.0	-69.12	387.08	6.56	-62.56
C[N@H+]1CCCC1CCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012487476	1	52	0.0	-75.43	385.98	5.40	-70.03
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012487477	0	49	0.0	-72.28	364.33	4.87	-67.41
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012487477	1	49	0.0	-75.07	364.54	4.64	-70.43
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012487478	0	45	0.0	-69.36	355.79	7.23	-62.13
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012487478	1	45	0.0	-74.87	350.07	6.69	-68.18
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012487479	0	48	0.0	-68.35	390.71	8.03	-60.32
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012487479	1	48	0.0	-73.95	388.81	7.68	-66.27
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012487480	0	44	0.0	-65.04	361.02	5.05	-59.99
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012487480	1	44	0.0	-75.32	359.46	4.80	-70.52
CC(C)CCCC(NC(=O)NCCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300012487481	0	53	0.0	-73.14	395.77	7.44	-65.70
CC(C)CCCC(NC(=O)NCCC1CCC[N@H+]1C)C(=O)[O-]	REAL300012487481	1	53	0.0	-68.18	401.68	7.97	-60.21
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012487482	0	51	0.0	-67.63	407.91	8.55	-59.08
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012487482	1	51	0.0	-74.72	402.84	8.01	-66.71
C[N@@H+]1CCCC1CCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012487483	0	49	0.0	-72.27	372.00	5.34	-66.93
C[N@H+]1CCCC1CCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012487483	1	49	0.0	-74.34	368.80	5.50	-68.84
C[N@@H+]1CCCC1CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012487484	0	48	0.0	-67.90	380.89	7.97	-59.93
C[N@H+]1CCCC1CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012487484	1	48	0.0	-74.12	379.12	7.73	-66.39
C[N@@H+]1CCCC1CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012487485	0	48	0.0	-65.33	384.63	8.16	-57.17
C[N@H+]1CCCC1CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012487485	1	48	0.0	-73.03	378.46	7.67	-65.36
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012487486	0	51	0.0	-73.35	396.91	9.30	-64.05
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012487486	1	51	0.0	-80.10	391.45	8.84	-71.26
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012487487	0	49	0.0	-72.88	395.99	6.86	-66.02
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012487487	1	49	0.0	-80.09	394.53	6.55	-73.54
C[N@@H+]1CCCC1CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012487488	0	43	0.0	-73.76	330.24	8.24	-65.52
C[N@H+]1CCCC1CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012487488	1	43	0.0	-83.44	324.03	7.74	-75.70
C[N@@H+]1CCCC1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012487489	0	48	0.0	-69.60	363.82	7.93	-61.67
C[N@H+]1CCCC1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012487489	1	48	0.0	-77.07	358.41	7.44	-69.63
C[N@@H+]1CCCC1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012487490	0	48	0.0	-63.52	381.30	8.36	-55.16
C[N@H+]1CCCC1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012487490	1	48	0.0	-76.23	379.71	8.07	-68.16
C[N@@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012487491	0	41	0.0	-63.74	332.41	7.40	-56.34
C[N@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012487491	1	41	0.0	-70.03	327.07	6.91	-63.12
C[N@@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012487492	0	41	0.0	-63.74	332.41	7.40	-56.34
C[N@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012487492	1	41	0.0	-70.03	327.07	6.91	-63.12
C[N@@H+]1CCCC1CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012487493	0	54	0.0	-58.62	399.76	4.96	-53.66
C[N@H+]1CCCC1CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012487493	1	54	0.0	-61.30	399.64	4.71	-56.59
CN1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCC[N@@H+]2C)CC1	REAL300012487494	1	58	0.0	-59.58	425.91	4.75	-54.83
CN1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCC[N@H+]2C)CC1	REAL300012487494	1	58	0.0	-54.54	427.51	5.04	-49.50
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC1CCC[N@H+]1C	REAL300012487495	0	49	0.0	-54.56	368.23	9.88	-44.68
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC1CCC[N@@H+]1C	REAL300012487495	1	49	0.0	-57.93	368.19	9.32	-48.61
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCC2CCC[N@@H+]2C)[C@H]1C(=O)[O-]	REAL300012487496	0	52	0.0	-60.93	379.09	9.95	-50.98
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCC2CCC[N@H+]2C)[C@H]1C(=O)[O-]	REAL300012487496	1	52	0.0	-59.88	378.70	9.97	-49.91
C[N@@H+]1CCCC1CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012487497	0	50	0.0	-68.62	375.46	8.30	-60.32
C[N@H+]1CCCC1CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012487497	1	50	0.0	-73.21	370.17	7.79	-65.42
C[N@@H+]1CCCC1CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012487498	0	45	0.0	-69.73	356.01	7.15	-62.58
C[N@H+]1CCCC1CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012487498	1	45	0.0	-75.98	350.45	6.75	-69.23
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012487499	0	48	0.0	-65.82	390.95	7.96	-57.86
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012487499	1	48	0.0	-71.96	389.45	7.67	-64.29
C[N@@H+]1CCCC1CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012487500	0	50	0.0	-70.64	396.14	7.10	-63.54
C[N@H+]1CCCC1CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012487500	1	50	0.0	-75.35	390.58	6.68	-68.67
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012487501	0	44	0.0	-63.38	364.82	5.15	-58.23
C[N@H+]1CCCC1CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012487501	1	44	0.0	-78.18	359.43	4.60	-73.58
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300012487502	0	48	0.0	-72.79	393.18	8.31	-64.48
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300012487502	1	48	0.0	-79.63	391.67	8.01	-71.62
C[N@@H+]1CCCC1CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012487503	0	45	0.0	-62.65	384.33	6.90	-55.75
C[N@H+]1CCCC1CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012487503	1	45	0.0	-70.44	378.90	6.42	-64.02
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012487504	0	42	0.0	-63.91	368.28	6.84	-57.07
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012487504	1	42	0.0	-71.80	362.96	6.36	-65.44
C[N@@H+]1CCCC1CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012487505	0	45	0.0	-81.35	349.11	4.55	-76.80
C[N@H+]1CCCC1CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012487505	1	45	0.0	-91.53	343.03	4.08	-87.45
CN1CC(C(=O)[O-])N(C(=O)NCCC2CCC[N@@H+]2C)CC1=O	REAL300012487506	0	46	0.0	-76.24	341.20	5.88	-70.36
CN1CC(C(=O)[O-])N(C(=O)NCCC2CCC[N@H+]2C)CC1=O	REAL300012487506	1	46	0.0	-67.09	346.87	6.35	-60.74
C[N@@H+]1CCCC1CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012487507	0	45	0.0	-66.97	355.77	7.23	-59.74
C[N@H+]1CCCC1CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012487507	1	45	0.0	-75.05	350.43	6.75	-68.30
C[N@@H+]1CCCC1CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012487508	0	48	0.0	-70.63	365.41	6.49	-64.14
C[N@H+]1CCCC1CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012487508	1	48	0.0	-78.41	360.11	5.99	-72.42
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300012487509	0	54	0.0	-76.22	397.84	5.88	-70.34
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC1CCC[N@H+]1C)C(=O)[O-]	REAL300012487509	1	54	0.0	-67.22	402.55	6.41	-60.81
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012487510	0	51	0.0	-68.25	361.62	7.33	-60.92
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012487510	1	51	0.0	-78.56	358.51	6.94	-71.62
CN(C(=O)NCCC1CCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012487511	0	51	0.0	-73.07	381.98	9.64	-63.43
CN(C(=O)NCCC1CCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012487511	1	51	0.0	-74.57	383.40	9.73	-64.84
CC1CCC(NC(=O)NCCC2CCC[N@@H+]2C)(C(=O)[O-])C2=CC=CC=C21	REAL300012487512	0	55	0.0	-78.90	399.37	8.99	-69.91
CC1CCC(NC(=O)NCCC2CCC[N@H+]2C)(C(=O)[O-])C2=CC=CC=C21	REAL300012487512	1	55	0.0	-69.60	400.99	9.29	-60.31
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300012487513	0	54	0.0	-77.10	398.97	5.82	-71.28
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCC1CCC[N@H+]1C)C(=O)[O-]	REAL300012487513	1	54	0.0	-70.41	399.83	6.16	-64.25
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012487514	0	59	0.0	-76.88	455.26	9.40	-67.48
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012487514	1	59	0.0	-85.03	450.21	8.90	-76.13
C[N@@H+]1CCCC1CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012487515	0	53	0.0	-58.24	398.32	10.59	-47.65
C[N@H+]1CCCC1CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012487515	1	53	0.0	-63.08	392.54	10.23	-52.85
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012487516	0	49	0.0	-76.50	383.89	7.10	-69.40
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012487516	1	49	0.0	-82.35	382.59	6.79	-75.56
CC(C1=CC=CC=C1)C(NC(=O)NCCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300012487517	0	51	0.0	-73.31	386.95	7.92	-65.39
CC(C1=CC=CC=C1)C(NC(=O)NCCC1CCC[N@H+]1C)C(=O)[O-]	REAL300012487517	1	51	0.0	-70.01	391.20	8.32	-61.69
C[N@@H+]1CCCC1CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012487518	0	52	0.0	-68.30	383.94	8.76	-59.54
C[N@H+]1CCCC1CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012487518	1	52	0.0	-75.48	387.18	7.72	-67.76
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012487519	0	58	0.0	-66.99	413.01	7.81	-59.18
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012487519	1	58	0.0	-76.91	407.88	7.44	-69.47
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012487520	0	51	0.0	-67.27	374.70	7.34	-59.93
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012487520	1	51	0.0	-76.36	367.58	6.87	-69.49
C[N@@H+]1CCCC1CCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012487521	0	52	0.0	-68.61	389.42	6.07	-62.54
C[N@H+]1CCCC1CCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012487521	1	52	0.0	-77.85	388.76	5.76	-72.09
C[N@@H+]1CCCC1CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012487522	0	52	0.0	-53.08	365.61	8.81	-44.27
C[N@H+]1CCCC1CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012487522	1	52	0.0	-55.17	360.38	8.35	-46.82
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012487523	0	52	0.0	-68.32	369.88	6.09	-62.23
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012487523	1	52	0.0	-78.25	364.42	5.64	-72.61
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012487524	0	51	0.0	-67.86	413.22	9.17	-58.69
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012487524	1	51	0.0	-77.11	404.03	9.09	-68.02
CC1=CC=CC2=C1CCN(C(=O)NCCC1CCC[N@H+]1C)C2C(=O)[O-]	REAL300012487525	0	52	0.0	-79.87	384.48	10.64	-69.23
CC1=CC=CC2=C1CCN(C(=O)NCCC1CCC[N@@H+]1C)C2C(=O)[O-]	REAL300012487525	1	52	0.0	-90.48	377.38	10.13	-80.35
C[N@@H+]1CCCC1CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012487526	0	52	0.0	-68.30	383.94	8.76	-59.54
C[N@H+]1CCCC1CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012487526	1	52	0.0	-75.48	387.18	7.72	-67.76
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012487527	0	48	0.0	-66.59	384.71	8.17	-58.42
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012487527	1	48	0.0	-72.84	379.27	7.68	-65.16
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012487528	0	42	0.0	-70.31	325.87	5.62	-64.69
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012487528	1	42	0.0	-67.65	326.07	5.61	-62.04
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012487529	0	45	0.0	-61.71	362.17	6.33	-55.38
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012487529	1	45	0.0	-69.75	354.13	5.87	-63.88
C[N@@H+]1CCCC1CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012487530	0	41	0.0	-62.90	335.79	5.77	-57.13
C[N@H+]1CCCC1CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012487530	1	41	0.0	-67.80	329.64	5.31	-62.49
C[N@@H+]1CCCC1CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012487531	0	49	0.0	-63.24	369.05	4.81	-58.43
C[N@H+]1CCCC1CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012487531	1	49	0.0	-74.99	369.27	4.68	-70.31
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012487532	0	45	0.0	-67.61	366.39	6.94	-60.67
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012487532	1	45	0.0	-75.40	364.83	6.66	-68.74
COCC(NC(=O)NCCC1CCC[N@@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012487533	0	52	0.0	-76.20	391.69	6.66	-69.54
COCC(NC(=O)NCCC1CCC[N@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012487533	1	52	0.0	-68.73	397.00	7.15	-61.58
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CCC[N@@H+]1C	REAL300012487534	0	51	0.0	-55.04	381.71	10.49	-44.55
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CCC[N@H+]1C	REAL300012487534	1	51	0.0	-53.35	387.96	10.80	-42.55
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012487535	0	48	0.0	-64.26	394.88	8.53	-55.73
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012487535	1	48	0.0	-72.61	393.37	8.24	-64.37
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012487536	0	52	0.0	-70.03	413.65	7.48	-62.55
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012487536	1	52	0.0	-77.80	411.33	7.20	-70.60
C[N@@H+]1CCCC1CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012487537	0	54	0.0	-65.57	399.37	8.30	-57.27
C[N@H+]1CCCC1CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012487537	1	54	0.0	-74.66	394.87	7.79	-66.87
C[N@@H+]1CCCC1CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012487538	0	51	0.0	-66.86	401.26	8.86	-58.00
C[N@H+]1CCCC1CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012487538	1	51	0.0	-74.99	395.92	8.39	-66.60
C[N@@H+]1CCCC1CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012487539	0	51	0.0	-69.34	397.20	8.74	-60.60
C[N@H+]1CCCC1CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012487539	1	51	0.0	-76.00	395.92	8.38	-67.62
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012487540	0	52	0.0	-70.08	377.19	7.54	-62.54
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012487540	1	52	0.0	-77.61	376.93	7.27	-70.34
C[N@@H+]1CCCC1CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012487541	0	54	0.0	-69.07	396.17	8.16	-60.91
C[N@H+]1CCCC1CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012487541	1	54	0.0	-75.33	394.66	7.86	-67.47
C[N@@H+]1CCCC1CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012487542	0	54	0.0	-65.73	395.54	8.10	-57.63
C[N@H+]1CCCC1CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012487542	1	54	0.0	-74.67	394.85	7.79	-66.88
C[N@@H+]1CCCC1CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012487543	0	52	0.0	-54.80	381.25	8.93	-45.87
C[N@H+]1CCCC1CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012487543	1	52	0.0	-55.24	376.02	8.42	-46.82
C[N@@H+]1CCCC1CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012487544	0	52	0.0	-75.91	374.68	8.71	-67.20
C[N@H+]1CCCC1CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012487544	1	52	0.0	-73.04	374.69	8.72	-64.32
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012487545	0	52	0.0	-73.41	420.38	7.69	-65.72
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012487545	1	52	0.0	-80.00	414.75	7.29	-72.71
COC1=CC=C(CC(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012487546	0	52	0.0	-74.52	401.57	6.92	-67.60
COC1=CC=C(CC(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012487546	1	52	0.0	-66.27	403.08	7.21	-59.06
C=CCSCC(NC(=O)NCCC1CCC[N@H+]1C)C(=O)[O-]	REAL300012487547	0	46	0.0	-65.58	377.59	6.95	-58.63
C=CCSCC(NC(=O)NCCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300012487547	1	46	0.0	-70.88	371.61	6.49	-64.39
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012487548	0	49	0.0	-66.77	395.20	8.30	-58.47
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012487548	1	49	0.0	-74.77	393.71	8.00	-66.77
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012487549	0	52	0.0	-82.57	413.86	7.95	-74.62
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012487549	1	52	0.0	-89.80	412.36	7.66	-82.14
COC1=CC=C2NC=C(CC(NC(=O)NCCC3CCC[N@@H+]3C)C(=O)[O-])C2=C1	REAL300012487550	0	56	0.0	-76.91	430.61	6.97	-69.94
COC1=CC=C2NC=C(CC(NC(=O)NCCC3CCC[N@H+]3C)C(=O)[O-])C2=C1	REAL300012487550	1	56	0.0	-81.76	437.91	7.13	-74.63
COC1(C(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])CCC1	REAL300012487551	0	49	0.0	-71.50	361.44	4.25	-67.25
COC1(C(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])CCC1	REAL300012487551	1	49	0.0	-73.18	369.21	4.85	-68.33
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012487552	0	51	0.0	-75.67	369.57	6.90	-68.77
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012487552	1	51	0.0	-76.89	369.64	6.89	-70.00
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012487553	0	52	0.0	-71.55	383.50	9.02	-62.53
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012487553	1	52	0.0	-78.61	381.99	8.74	-69.87
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012487554	0	45	0.0	-74.73	352.72	6.63	-68.10
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012487554	1	45	0.0	-83.05	347.38	6.14	-76.91
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012487556	0	57	0.0	-67.14	428.38	9.27	-57.87
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012487556	1	57	0.0	-74.51	426.27	9.01	-65.50
CC(C)C1=CC=C(C(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012487557	0	54	0.0	-74.70	410.68	8.68	-66.02
CC(C)C1=CC=C(C(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012487557	1	54	0.0	-68.92	416.00	9.16	-59.76
CCOC1=CC=C(C(NC(=O)NCCC2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012487558	0	52	0.0	-75.02	402.04	6.88	-68.14
CCOC1=CC=C(C(NC(=O)NCCC2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012487558	1	52	0.0	-68.94	407.12	7.45	-61.49
C[N@@H+]1CCCC1CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012487559	0	52	0.0	-73.59	371.08	9.45	-64.14
C[N@H+]1CCCC1CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012487559	1	52	0.0	-84.43	369.32	9.18	-75.25
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012487560	0	52	0.0	-65.83	396.41	9.05	-56.78
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012487560	1	52	0.0	-76.09	385.31	8.20	-67.89
C[N@@H+]1CCCC1CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012487561	0	52	0.0	-73.78	394.63	7.99	-65.79
C[N@H+]1CCCC1CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012487561	1	52	0.0	-81.25	393.04	7.71	-73.54
C[N@@H+]1CCCC1CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012487562	0	48	0.0	-63.67	382.67	8.15	-55.52
C[N@H+]1CCCC1CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012487562	1	48	0.0	-70.77	380.91	7.92	-62.85
C[N@@H+]1CCCC1CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012487563	0	49	0.0	-50.89	366.38	8.42	-42.47
C[N@H+]1CCCC1CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012487563	1	49	0.0	-55.80	362.54	7.93	-47.87
C[N@@H+]1CCCC1CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012487564	0	49	0.0	-63.24	369.05	4.81	-58.43
C[N@H+]1CCCC1CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012487564	1	49	0.0	-74.99	369.27	4.68	-70.31
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012487565	0	48	0.0	-66.11	399.35	8.78	-57.33
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012487565	1	48	0.0	-72.49	393.91	8.31	-64.18
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC2CCC[N@@H+]2C)C1	REAL300012487566	0	46	0.0	-78.81	356.14	7.69	-71.12
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC2CCC[N@H+]2C)C1	REAL300012487566	1	46	0.0	-77.52	362.32	8.02	-69.50
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012487567	0	49	0.0	-73.75	355.21	7.93	-65.82
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012487567	1	49	0.0	-80.08	349.88	7.45	-72.63
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012487568	0	49	0.0	-72.54	369.52	7.66	-64.88
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012487568	1	49	0.0	-78.84	358.29	6.92	-71.92
CN(C(=O)NCCC1CCC[N@@H+]1C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012487569	0	51	0.0	-74.97	383.56	9.56	-65.41
CN(C(=O)NCCC1CCC[N@H+]1C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012487569	1	51	0.0	-68.59	387.36	10.12	-58.47
C[N@@H+]1CCCC1CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012487570	0	55	0.0	-54.70	390.73	9.26	-45.44
C[N@H+]1CCCC1CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012487570	1	55	0.0	-57.07	389.34	8.94	-48.13
C[N@@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012487571	0	48	0.0	-54.29	372.97	9.70	-44.59
C[N@H+]1CCCC1CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012487571	1	48	0.0	-58.99	365.39	9.12	-49.87
C[N@@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012487572	0	55	0.0	-67.29	425.77	10.39	-56.90
C[N@H+]1CCCC1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012487572	1	55	0.0	-75.41	424.64	10.15	-65.26
C[N@@H+]1CCCC1CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012487573	0	49	0.0	-52.98	382.39	9.67	-43.31
C[N@H+]1CCCC1CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012487573	1	49	0.0	-79.54	372.06	9.67	-69.87
C[N@@H+]1CCCC1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012487574	0	51	0.0	-65.98	398.74	8.74	-57.24
C[N@H+]1CCCC1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012487574	1	51	0.0	-72.25	397.13	8.45	-63.80
C[N@@H+]1CCCC1CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012487575	0	45	0.0	-72.19	340.79	8.15	-64.04
C[N@H+]1CCCC1CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012487575	1	45	0.0	-82.15	335.15	7.63	-74.52
C[N@@H+]1CCCC1CCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012487576	0	42	0.0	-77.73	331.17	6.82	-70.91
C[N@H+]1CCCC1CCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012487576	1	42	0.0	-81.98	324.46	6.48	-75.50
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012487577	0	48	0.0	-66.59	384.71	8.17	-58.42
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012487577	1	48	0.0	-72.84	379.27	7.68	-65.16
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012487578	0	45	0.0	-64.95	368.28	7.04	-57.91
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012487578	1	45	0.0	-74.12	362.86	6.53	-67.59
C[N@@H+]1CCCC1CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012487579	0	45	0.0	-67.11	347.73	7.67	-59.44
C[N@H+]1CCCC1CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012487579	1	45	0.0	-79.68	342.90	7.29	-72.39
C[N@@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012487580	0	49	0.0	-71.52	382.87	7.84	-63.68
C[N@H+]1CCCC1CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012487580	1	49	0.0	-77.87	383.91	7.70	-70.17
C[N@@H+]1CCCC1CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012487581	0	53	0.0	-80.42	402.21	8.70	-71.72
C[N@H+]1CCCC1CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012487581	1	53	0.0	-78.92	401.57	8.98	-69.94
C[N@@H+]1CCCC1CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012487582	0	45	0.0	-64.95	368.28	7.04	-57.91
C[N@H+]1CCCC1CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012487582	1	45	0.0	-74.12	362.86	6.53	-67.59
C[N@@H+]1CCCC1CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012487583	0	49	0.0	-85.30	347.98	8.16	-77.14
C[N@H+]1CCCC1CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012487583	1	49	0.0	-73.34	352.47	7.90	-65.44
COCCCC(NC(=O)NCCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300012487584	0	48	0.0	-73.39	369.71	4.42	-68.97
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CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012490144	0	57	0.0	-75.61	426.61	9.78	-65.83
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CC(C)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490360	0	48	0.0	-71.94	371.35	7.36	-64.58
CC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)(C(=O)[O-])C1CC1	REAL300012490361	0	52	0.0	-80.48	394.47	9.15	-71.33
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CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490364	0	51	0.0	-65.91	390.80	10.26	-55.65
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490365	0	51	0.0	-65.71	400.31	10.61	-55.10
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490366	0	48	0.0	-78.98	378.82	9.85	-69.13
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490367	0	54	0.0	-76.75	410.47	8.98	-67.77
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CCC(C)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490369	0	51	0.0	-79.90	384.74	8.35	-71.55
CC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012490370	0	55	0.0	-77.91	424.84	10.89	-67.02
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C=CCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490385	0	49	0.0	-80.38	393.64	8.50	-71.88
CC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490386	0	52	0.0	-81.67	396.72	10.48	-71.19
O=C([O-])C1CCCCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490387	0	55	0.0	-88.14	403.73	11.60	-76.54
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1CC1	REAL300012490388	0	49	0.0	-81.34	390.64	8.57	-72.77
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490389	0	48	0.0	-77.85	370.84	9.05	-68.80
CCCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490390	0	54	0.0	-81.99	423.61	9.53	-72.46
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490391	0	52	0.0	-81.72	396.72	10.47	-71.25
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1CCCC1	REAL300012490392	0	55	0.0	-67.04	415.15	11.42	-55.62
COCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490393	0	49	0.0	-82.65	392.46	6.23	-76.42
CCCCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490394	0	57	0.0	-81.00	445.10	10.31	-70.69
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1CCOCC1	REAL300012490395	0	56	0.0	-67.35	423.59	9.75	-57.60
CN(C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1(C(=O)[O-])CCCC1	REAL300012490396	0	55	0.0	-86.75	406.38	10.83	-75.92
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1CC1	REAL300012490397	0	52	0.0	-69.92	397.65	10.58	-59.34
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1CC1	REAL300012490398	0	55	0.0	-69.49	418.82	11.71	-57.78
CC1=CC=C(C(NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)C(=O)[O-])C=C1	REAL300012490399	0	55	0.0	-81.48	437.82	10.82	-70.66
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490400	0	48	0.0	-75.25	396.30	8.76	-66.49
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CCSCC1	REAL300012490401	0	53	0.0	-80.35	408.10	9.93	-70.42
COCC(C)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490402	0	52	0.0	-84.41	402.99	7.64	-76.77
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490403	0	55	0.0	-79.49	422.47	9.43	-70.06
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490404	0	54	0.0	-65.03	414.73	10.91	-54.12
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1CC1	REAL300012490405	0	49	0.0	-79.47	383.84	10.24	-69.23
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CCOC1	REAL300012490406	0	50	0.0	-79.45	386.52	6.54	-72.91
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1CCCCC1	REAL300012490407	0	58	0.0	-80.57	433.96	10.32	-70.25
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CCOCC1	REAL300012490408	0	53	0.0	-83.47	401.82	7.75	-75.72
C=CCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490409	0	52	0.0	-80.90	414.91	9.31	-71.59
O=C([O-])C(CF)NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490410	0	45	0.0	-70.58	362.23	7.01	-63.57
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490411	0	48	0.0	-77.85	370.84	9.05	-68.80
CCC(CC)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490412	0	54	0.0	-81.71	401.42	9.24	-72.47
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490413	0	54	0.0	-64.97	409.54	11.19	-53.78
CCC(COC)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490414	0	55	0.0	-85.57	419.43	8.55	-77.02
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490415	0	58	0.0	-79.56	442.73	10.20	-69.36
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490416	0	52	0.0	-80.53	412.49	9.58	-70.95
COCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490417	0	52	0.0	-81.30	414.28	7.04	-74.26
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490418	0	57	0.0	-79.57	430.12	11.47	-68.10
O=C([O-])C(CC(F)F)NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490419	0	48	0.0	-80.79	392.12	8.29	-72.50
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490420	0	58	0.0	-86.59	431.49	12.46	-74.13
CCCN(C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(C)C(=O)[O-]	REAL300012490421	0	54	0.0	-59.43	411.64	11.41	-48.02
O=C([O-])C(CCF)NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490422	0	48	0.0	-79.97	387.20	8.12	-71.85
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1CCOCC1	REAL300012490423	0	56	0.0	-67.35	423.59	9.75	-57.60
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1CCCCC1	REAL300012490424	0	58	0.0	-67.44	432.55	12.12	-55.32
C[C@H]1CC[C@@](NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)(C(=O)[O-])CC1	REAL300012490425	0	58	0.0	-84.31	424.20	10.63	-73.68
CC(CCF)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490426	0	51	0.0	-77.13	391.33	8.49	-68.64
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490427	0	49	0.0	-79.40	394.84	9.70	-69.70
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490428	0	48	0.0	-74.82	370.98	9.11	-65.71
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490429	0	50	0.0	-87.71	386.95	10.57	-77.14
COC1CN(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)C(C)(C(=O)[O-])C1	REAL300012490430	0	56	0.0	-85.36	428.65	9.50	-75.86
CC(C)(C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490431	0	54	0.0	-76.82	410.06	9.17	-67.65
C=C(Cl)CC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490432	0	49	0.0	-81.75	409.04	9.07	-72.68
C=C(C)CC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490433	0	52	0.0	-82.02	414.46	9.17	-72.85
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490434	0	53	0.0	-89.37	401.76	11.36	-78.01
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490435	0	49	0.0	-81.83	394.53	9.65	-72.18
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490436	0	49	0.0	-80.65	387.03	9.62	-71.03
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)C1	REAL300012490437	0	50	0.0	-86.50	393.88	10.01	-76.49
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490438	0	54	0.0	-76.85	418.75	9.36	-67.49
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1CCOCC1	REAL300012490439	0	56	0.0	-78.32	430.91	8.09	-70.23
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1=CC=CC=C1	REAL300012490440	0	52	0.0	-80.54	417.07	10.11	-70.43
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490441	0	52	0.0	-80.53	412.49	9.58	-70.95
CC(C)CCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490442	0	60	0.0	-80.56	462.42	10.89	-69.67
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490443	0	56	0.0	-82.94	436.83	8.48	-74.46
CSCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490444	0	49	0.0	-78.32	404.06	8.40	-69.92
COC[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490445	0	49	0.0	-78.40	392.25	6.27	-72.13
CC[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490446	0	48	0.0	-76.64	380.05	8.06	-68.58
CCC(C)CC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490447	0	57	0.0	-81.31	437.54	9.94	-71.37
C=CCCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490448	0	55	0.0	-81.48	436.42	10.09	-71.39
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490449	0	50	0.0	-82.29	390.63	10.95	-71.34
CC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012490450	0	55	0.0	-77.91	424.84	10.89	-67.02
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490451	0	49	0.0	-88.14	381.55	9.49	-78.65
CCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490452	0	51	0.0	-81.10	402.10	8.74	-72.36
CC(C)[C@@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490453	0	51	0.0	-81.99	397.92	8.62	-73.37
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490454	0	53	0.0	-91.92	400.87	11.47	-80.45
CCN(C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012490455	0	54	0.0	-80.99	405.56	10.79	-70.20
CCCN(C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(C)C(=O)[O-]	REAL300012490456	0	54	0.0	-59.43	411.64	11.41	-48.02
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490457	0	48	0.0	-74.55	393.43	10.35	-64.20
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490458	0	48	0.0	-74.55	393.43	10.35	-64.20
CN(C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012490459	0	51	0.0	-83.39	386.00	9.94	-73.45
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490460	0	49	0.0	-86.69	380.52	9.55	-77.14
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490461	0	50	0.0	-89.45	391.66	6.24	-83.21
CCC[C@@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490462	0	51	0.0	-81.16	402.14	8.86	-72.30
O=C([O-])[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1=CC=CC=C1	REAL300012490463	0	52	0.0	-82.97	417.06	10.11	-72.86
C=CCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490464	0	52	0.0	-80.90	414.91	9.31	-71.59
CN1CC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CC1=O	REAL300012490465	0	53	0.0	-77.65	407.73	9.21	-68.44
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490466	0	52	0.0	-87.06	396.39	10.44	-76.62
CC(C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490467	0	51	0.0	-75.78	395.06	8.59	-67.19
O=C([O-])[C@@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1=CC=CC=C1	REAL300012490468	0	52	0.0	-78.06	416.42	10.14	-67.92
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490469	0	48	0.0	-74.82	370.98	9.11	-65.71
CCC[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490470	0	51	0.0	-77.39	402.38	8.81	-68.58
CCN(C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(C)C(=O)[O-]	REAL300012490471	0	51	0.0	-75.45	389.73	9.97	-65.48
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1CCCC1	REAL300012490472	0	55	0.0	-67.04	415.15	11.42	-55.62
CC(CN(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490473	0	51	0.0	-85.61	393.17	9.80	-75.81
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490474	0	54	0.0	-76.75	410.47	8.98	-67.77
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490475	0	51	0.0	-75.70	391.30	10.03	-65.67
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CC(CO)C1	REAL300012490476	0	53	0.0	-80.52	414.33	6.02	-74.50
CC1CCC(NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)(C(=O)[O-])C1	REAL300012490477	0	55	0.0	-84.23	416.95	9.75	-74.48
CC1(C)CCCC1(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490478	0	58	0.0	-82.04	426.42	10.49	-71.55
COCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490479	0	52	0.0	-81.30	414.28	7.04	-74.26
CC1(C)CC(NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)(C(=O)[O-])C1	REAL300012490480	0	55	0.0	-85.50	418.45	10.44	-75.06
CC1(C(NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)C(=O)[O-])CC1	REAL300012490481	0	52	0.0	-80.98	402.34	9.38	-71.60
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490482	0	50	0.0	-93.48	389.98	6.39	-87.09
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1CCOC1	REAL300012490483	0	53	0.0	-78.63	408.12	6.97	-71.66
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490484	0	53	0.0	-90.28	401.26	11.03	-79.25
O=C([O-])C12COC(CN1C(=O)NC1CC[NH+](CC3=CC=C(F)C=C3)CC1)C2	REAL300012490485	0	51	0.0	-83.62	393.80	8.84	-74.78
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CC1CCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)C1C(=O)[O-]	REAL300012490490	0	52	0.0	-87.57	400.96	10.23	-77.34
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CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490496	0	55	0.0	-86.41	410.04	11.73	-74.68
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CC(C)C(C)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490500	0	54	0.0	-80.92	401.47	9.04	-71.88
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CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490504	0	54	0.0	-77.27	405.60	10.85	-66.42
COC1(C(NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)C(=O)[O-])CCC1	REAL300012490505	0	56	0.0	-78.00	427.82	7.67	-70.33
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CC(C(F)F)C1	REAL300012490506	0	52	0.0	-83.15	414.07	9.58	-73.57
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490508	0	49	0.0	-80.65	387.03	9.62	-71.03
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490509	0	51	0.0	-64.62	395.73	10.77	-53.85
CC1(C)CCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)C1C(=O)[O-]	REAL300012490510	0	55	0.0	-83.83	415.84	10.60	-73.23
CC(C)CCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490511	0	57	0.0	-80.75	440.93	10.11	-70.64
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490512	0	56	0.0	-64.73	427.45	11.38	-53.35
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490513	0	56	0.0	-81.90	435.73	8.11	-73.79
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)C1	REAL300012490514	0	53	0.0	-80.33	422.92	11.11	-69.22
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CCCC2CC21	REAL300012490515	0	56	0.0	-81.16	416.23	10.88	-70.28
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CCC2CC21	REAL300012490516	0	53	0.0	-85.08	403.38	9.97	-75.11
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CC2(CCC2)C1	REAL300012490517	0	56	0.0	-78.92	424.68	10.35	-68.57
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1CCCC1	REAL300012490518	0	55	0.0	-80.53	417.09	9.56	-70.97
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490519	0	52	0.0	-82.03	410.89	7.28	-74.75
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490520	0	52	0.0	-83.85	394.78	9.21	-74.64
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490521	0	55	0.0	-65.84	437.81	12.86	-52.98
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)C1	REAL300012490522	0	55	0.0	-62.25	419.52	10.74	-51.51
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490523	0	52	0.0	-82.31	401.90	11.03	-71.28
O=C([O-])C1N(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CCC1(F)F	REAL300012490524	0	49	0.0	-88.30	392.39	9.69	-78.61
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490525	0	52	0.0	-75.57	408.83	10.60	-64.97
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490526	0	56	0.0	-89.91	418.21	11.04	-78.87
COCCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490527	0	55	0.0	-80.67	434.94	7.84	-72.83
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490528	0	54	0.0	-78.36	412.76	10.96	-67.40
CCOCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490529	0	52	0.0	-83.38	413.83	7.20	-76.18
CC(C)(C)CC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490530	0	57	0.0	-81.15	431.20	10.44	-70.71
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1CCCCO1	REAL300012490531	0	56	0.0	-79.66	431.64	8.59	-71.07
C[C@H]1OCCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)[C@@H]1C(=O)[O-]	REAL300012490532	0	53	0.0	-88.73	401.91	9.47	-79.26
N#CCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012490533	0	49	0.0	-81.92	401.22	8.55	-73.37
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490534	0	52	0.0	-66.64	419.48	11.00	-55.64
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300012490535	0	48	0.0	-77.79	371.41	9.00	-68.79
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)C1	REAL300012490536	0	56	0.0	-83.20	433.95	9.97	-73.23
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490537	0	53	0.0	-71.98	407.97	7.46	-64.52
C=CCOCC(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490538	0	52	0.0	-74.03	416.58	5.98	-68.05
C=CC(C)C(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490539	0	51	0.0	-72.96	395.67	7.01	-65.95
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C1CCOCC1	REAL300012490540	0	55	0.0	-70.36	417.21	6.15	-64.21
COC1CCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C(C(=O)[O-])C1	REAL300012490541	0	55	0.0	-81.38	412.51	8.31	-73.07
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C1CCCOC1	REAL300012490542	0	55	0.0	-71.07	414.57	5.96	-65.11
CC1CCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C(C(=O)[O-])C1	REAL300012490543	0	54	0.0	-79.80	400.42	9.58	-70.22
CC1=CC(C)=CC(C(NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C(=O)[O-])=C1	REAL300012490544	0	57	0.0	-74.50	448.86	9.62	-64.88
CC1=CC=C(C(NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C(=O)[O-])C=C1C	REAL300012490545	0	57	0.0	-73.54	444.46	9.50	-64.04
CC1=CC=CC(C(NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C(=O)[O-])=C1C	REAL300012490546	0	57	0.0	-73.09	435.30	9.24	-63.85
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490547	0	50	0.0	-60.35	389.53	8.72	-51.63
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C1CCC1	REAL300012490548	0	54	0.0	-62.87	402.22	9.05	-53.82
CCCN(C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(COC)C(=O)[O-]	REAL300012490549	0	57	0.0	-71.52	428.03	8.37	-63.15
CCCN(C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(CC)C(=O)[O-]	REAL300012490550	0	56	0.0	-69.61	416.65	9.76	-59.85
CC(C)C(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490551	0	50	0.0	-71.54	382.79	6.46	-65.08
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490552	0	51	0.0	-80.45	380.12	9.32	-71.13
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490553	0	49	0.0	-76.97	379.69	9.06	-67.91
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CCCCC1	REAL300012490554	0	54	0.0	-75.10	399.62	8.35	-66.75
O=C([O-])C1CCCN1C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490555	0	48	0.0	-78.02	369.76	7.66	-70.36
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CCCC1	REAL300012490556	0	51	0.0	-74.17	385.10	7.24	-66.93
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CCCCCC1	REAL300012490557	0	57	0.0	-75.58	405.28	9.01	-66.57
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490558	0	54	0.0	-72.72	428.29	9.22	-63.50
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490559	0	54	0.0	-60.52	427.03	10.96	-49.56
O=C([O-])[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C1=CC=CC=C1	REAL300012490560	0	51	0.0	-73.78	406.03	8.29	-65.49
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C1=CC=CC=C1	REAL300012490561	0	51	0.0	-73.09	406.28	8.21	-64.88
CCC(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490562	0	47	0.0	-71.32	370.10	6.14	-65.18
CC(C)C(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490563	0	50	0.0	-71.54	382.79	6.46	-65.08
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490564	0	44	0.0	-71.22	346.22	6.98	-64.24
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490565	0	54	0.0	-72.72	428.29	9.22	-63.50
CC(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490566	0	44	0.0	-64.05	348.10	5.14	-58.91
CCC(C)C(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490567	0	53	0.0	-72.08	401.34	7.10	-64.98
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490568	0	44	0.0	-71.22	346.22	6.98	-64.24
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490569	0	51	0.0	-80.45	380.12	9.32	-71.13
CCCC(C)(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490570	0	53	0.0	-70.58	395.74	7.26	-63.32
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490571	0	50	0.0	-60.60	380.01	8.36	-52.24
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C1CC1	REAL300012490572	0	48	0.0	-73.11	372.89	8.37	-64.74
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490573	0	48	0.0	-60.20	380.84	8.52	-51.68
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490574	0	53	0.0	-59.77	403.94	9.01	-50.76
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490575	0	55	0.0	-78.05	417.88	11.19	-66.86
CC(C)(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490576	0	47	0.0	-63.21	360.85	5.52	-57.69
CC(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)(C(=O)[O-])C1CC1	REAL300012490577	0	51	0.0	-72.11	383.68	7.26	-64.85
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C1=CC=CS1	REAL300012490578	0	48	0.0	-71.04	397.65	7.37	-63.67
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CCCCC1	REAL300012490579	0	54	0.0	-75.10	399.62	8.35	-66.75
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490580	0	50	0.0	-60.60	380.01	8.36	-52.24
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490581	0	50	0.0	-60.35	389.53	8.72	-51.63
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490582	0	47	0.0	-71.27	368.03	7.96	-63.31
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490583	0	53	0.0	-73.30	401.34	7.10	-66.20
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CCCC1	REAL300012490584	0	51	0.0	-74.17	385.10	7.24	-66.93
CCC(C)(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490585	0	50	0.0	-70.36	374.24	6.51	-63.85
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CC1(C)CCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1C(=O)[O-]	REAL300012490775	0	54	0.0	-79.67	404.99	8.70	-70.97
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CC(C)CCC(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490777	0	56	0.0	-71.30	430.66	8.20	-63.10
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COCCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490796	0	54	0.0	-71.16	425.27	5.97	-65.19
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490797	0	53	0.0	-69.49	402.02	8.91	-60.58
CCOCC(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490798	0	51	0.0	-73.50	403.68	5.40	-68.10
CC(C)(C)CC(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300012490799	0	56	0.0	-71.79	420.69	8.60	-63.19
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C1CCCCO1	REAL300012490800	0	55	0.0	-75.47	421.34	6.70	-68.77
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CC2=CC=CC=C2C1	REAL300012490801	0	55	0.0	-74.20	425.59	9.51	-64.69
C[C@H]1OCCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)[C@@H]1C(=O)[O-]	REAL300012490802	0	52	0.0	-78.85	391.42	7.63	-71.22
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O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490804	0	51	0.0	-61.18	408.69	9.10	-52.08
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300012490805	0	47	0.0	-69.33	360.61	7.11	-62.22
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300012490806	0	55	0.0	-77.71	423.98	7.99	-69.72
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012490807	0	57	0.0	-74.21	428.41	9.94	-64.27
C=CCOCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490808	0	56	0.0	-77.84	437.15	8.40	-69.44
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CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012490810	0	59	0.0	-74.62	437.20	8.60	-66.02
COC1CCN(C(=O)NC2CC[NH+](CC3=CC=CC=C3C)CC2)C(C(=O)[O-])C1	REAL300012490811	0	59	0.0	-84.72	432.65	10.76	-73.96
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012490812	0	59	0.0	-74.70	435.00	8.42	-66.28
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012490813	0	58	0.0	-82.95	414.27	11.91	-71.04
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300012490814	0	54	0.0	-62.41	409.52	11.16	-51.25
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012490815	0	58	0.0	-63.59	423.22	11.62	-51.97
CCCN(C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(COC)C(=O)[O-]	REAL300012490816	0	61	0.0	-77.54	453.21	12.19	-65.35
CCCN(C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(CC)C(=O)[O-]	REAL300012490817	0	60	0.0	-56.44	433.92	12.79	-43.65
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012490818	0	54	0.0	-73.21	404.72	9.16	-64.05
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012490819	0	55	0.0	-84.29	400.72	11.74	-72.55
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012490820	0	53	0.0	-80.42	400.66	11.50	-68.92
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012490821	0	58	0.0	-78.13	420.06	10.82	-67.31
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012490822	0	52	0.0	-81.39	389.76	10.09	-71.30
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012490823	0	55	0.0	-78.09	405.55	9.71	-68.38
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012490824	0	61	0.0	-78.69	425.72	11.48	-67.21
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012490825	0	58	0.0	-75.78	448.28	11.66	-64.12
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012490826	0	58	0.0	-61.90	447.47	13.43	-48.47
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NCC(=O)[O-])CC1	REAL300012490827	0	45	0.0	-66.38	347.92	6.78	-59.60
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012490828	0	55	0.0	-76.88	426.71	10.69	-66.19
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012490829	0	55	0.0	-75.95	426.27	10.65	-65.30
CCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490830	0	51	0.0	-73.98	389.71	8.63	-65.35
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012490831	0	54	0.0	-73.21	404.72	9.16	-64.05
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)CC(=O)[O-])CC1	REAL300012490832	0	48	0.0	-74.05	366.21	9.42	-64.63
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012490833	0	58	0.0	-75.78	448.28	11.66	-64.12
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C)C(=O)[O-])CC1	REAL300012490834	0	48	0.0	-66.70	368.54	7.61	-59.09
CCC(C)C(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490835	0	57	0.0	-74.30	420.12	9.56	-64.74
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)CC(=O)[O-])CC1	REAL300012490836	0	48	0.0	-74.05	366.21	9.42	-64.63
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012490837	0	55	0.0	-84.29	400.72	11.74	-72.55
CCCC(C)(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490838	0	57	0.0	-74.39	416.17	9.73	-64.66
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012490839	0	54	0.0	-74.18	397.79	10.65	-63.53
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012490840	0	52	0.0	-75.89	393.90	10.81	-65.08
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300012490841	0	52	0.0	-62.10	400.83	10.97	-51.13
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012490842	0	57	0.0	-61.66	423.93	11.47	-50.19
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012490843	0	51	0.0	-65.39	380.84	7.96	-57.43
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012490844	0	55	0.0	-74.81	404.06	9.71	-65.10
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012490845	0	52	0.0	-75.31	418.28	9.75	-65.56
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012490846	0	58	0.0	-78.13	420.06	10.82	-67.31
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012490847	0	54	0.0	-74.18	397.79	10.65	-63.53
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300012490848	0	54	0.0	-62.41	409.52	11.16	-51.25
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300012490849	0	51	0.0	-74.18	388.02	10.40	-63.78
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490850	0	57	0.0	-70.52	420.30	9.58	-60.94
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012490851	0	55	0.0	-78.09	405.55	9.71	-68.38
CCC(C)(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490852	0	54	0.0	-74.09	394.67	8.98	-65.11
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012490853	0	58	0.0	-76.46	434.04	11.44	-65.02
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300012490854	0	48	0.0	-64.34	368.73	7.63	-56.71
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300012490855	0	51	0.0	-74.18	388.02	10.40	-63.78
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N[C@H](C)C(=O)[O-])CC1	REAL300012490856	0	48	0.0	-67.04	368.71	7.59	-59.45
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012490857	0	49	0.0	-79.95	374.85	8.76	-71.19
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012490858	0	53	0.0	-80.08	391.36	9.05	-71.03
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012490859	0	61	0.0	-79.99	429.73	12.17	-67.82
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012490860	0	52	0.0	-73.89	397.46	9.11	-64.78
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012490861	0	58	0.0	-79.68	434.83	12.64	-67.04
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300012490862	0	55	0.0	-63.21	419.40	9.59	-53.62
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012490863	0	52	0.0	-81.11	391.50	10.16	-70.95
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012490864	0	55	0.0	-82.32	400.61	11.53	-70.79
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012490865	0	51	0.0	-71.73	381.06	9.59	-62.14
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012490866	0	52	0.0	-81.03	390.13	10.10	-70.93
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012490867	0	52	0.0	-79.34	391.63	9.27	-70.07
C=CCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490868	0	52	0.0	-73.46	403.02	9.08	-64.38
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012490869	0	55	0.0	-79.86	406.37	11.05	-68.81
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012490870	0	58	0.0	-82.59	413.08	12.13	-70.46
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012490871	0	52	0.0	-73.89	397.46	9.11	-64.78
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012490872	0	51	0.0	-71.74	380.63	9.68	-62.06
CCCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490873	0	57	0.0	-74.96	433.29	10.22	-64.74
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012490874	0	55	0.0	-79.78	406.38	11.06	-68.72
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012490875	0	58	0.0	-61.09	424.75	11.96	-49.13
COCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490876	0	52	0.0	-75.63	401.91	6.85	-68.78
CCCCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490877	0	60	0.0	-74.60	455.03	10.93	-63.67
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012490878	0	59	0.0	-61.35	433.25	10.32	-51.03
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012490879	0	58	0.0	-80.04	416.28	11.43	-68.61
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012490880	0	55	0.0	-63.78	408.38	11.20	-52.58
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C1CC1	REAL300012490881	0	58	0.0	-64.24	428.67	12.25	-51.99
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012490882	0	55	0.0	-82.25	431.07	10.75	-71.50
CC1=CC=C(C(NC(=O)NC2CC[NH+](CC3=CC=CC=C3C)CC2)C(=O)[O-])C=C1	REAL300012490883	0	58	0.0	-77.25	448.05	11.34	-65.91
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012490884	0	51	0.0	-69.37	406.47	9.30	-60.07
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012490885	0	56	0.0	-73.66	417.31	10.48	-63.18
COCC(C)(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490886	0	55	0.0	-78.61	412.92	8.26	-70.35
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300012490887	0	58	0.0	-73.47	432.66	10.00	-63.47
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012490888	0	57	0.0	-61.66	423.93	11.47	-50.19
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012490889	0	52	0.0	-75.89	393.90	10.81	-65.08
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012490890	0	53	0.0	-74.01	395.74	7.09	-66.92
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012490891	0	61	0.0	-77.50	444.28	10.82	-66.68
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012490892	0	56	0.0	-77.63	411.48	8.33	-69.30
C=CCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490893	0	55	0.0	-73.61	424.02	9.96	-63.65
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CF)C(=O)[O-])CC1	REAL300012490894	0	48	0.0	-64.77	372.64	7.58	-57.19
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012490895	0	51	0.0	-71.74	380.63	9.68	-62.06
CCC(CC)(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490896	0	57	0.0	-75.19	411.06	9.87	-65.32
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300012490897	0	57	0.0	-61.21	419.19	11.76	-49.45
CCC(COC)(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490898	0	58	0.0	-79.91	429.36	9.18	-70.73
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012490899	0	61	0.0	-73.71	451.95	10.74	-62.97
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012490900	0	55	0.0	-74.63	420.87	10.16	-64.47
COCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490901	0	55	0.0	-74.92	424.21	7.67	-67.25
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012490902	0	60	0.0	-73.47	439.90	12.05	-61.42
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012490903	0	51	0.0	-70.99	401.15	9.13	-61.86
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300012490904	0	61	0.0	-82.84	441.12	12.78	-70.06
CCCN(C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(C)C(=O)[O-]	REAL300012490905	0	57	0.0	-56.06	421.41	11.97	-44.09
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012490906	0	51	0.0	-73.59	397.13	8.75	-64.84
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012490907	0	59	0.0	-61.35	433.25	10.32	-51.03
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012490908	0	61	0.0	-61.40	442.21	12.71	-48.69
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)CC1	REAL300012490909	0	61	0.0	-78.75	433.80	11.17	-67.58
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012490910	0	54	0.0	-71.36	401.26	9.12	-62.24
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012490911	0	56	0.0	-65.42	424.71	11.24	-54.18
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012490912	0	52	0.0	-76.06	404.49	10.29	-65.77
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012490913	0	51	0.0	-68.59	380.68	9.64	-58.95
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012490914	0	53	0.0	-86.57	397.58	11.13	-75.44
COC1CN(C(=O)NC2CC[NH+](CC3=CC=CC=C3C)CC2)C(C)(C(=O)[O-])C1	REAL300012490915	0	59	0.0	-75.07	438.49	10.10	-64.97
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012490916	0	57	0.0	-74.36	419.72	9.75	-64.61
C=C(Cl)CC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490917	0	52	0.0	-74.44	418.98	9.69	-64.75
C=C(C)CC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490918	0	55	0.0	-76.00	422.11	9.91	-66.09
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012490919	0	56	0.0	-88.01	411.31	11.92	-76.09
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012490920	0	52	0.0	-75.71	404.52	10.24	-65.47
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012490921	0	52	0.0	-78.56	396.74	10.20	-68.36
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=CC=C3C)CC2)C1	REAL300012490922	0	53	0.0	-80.86	403.42	10.60	-70.26
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012490923	0	57	0.0	-74.21	428.41	9.94	-64.27
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012490924	0	59	0.0	-74.62	437.20	8.60	-66.02
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012490925	0	55	0.0	-75.95	426.27	10.65	-65.30
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012490926	0	55	0.0	-74.63	420.87	10.16	-64.47
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012490927	0	63	0.0	-74.91	472.36	11.52	-63.39
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012490928	0	59	0.0	-79.26	446.49	9.05	-70.21
CSCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490929	0	52	0.0	-73.10	414.24	8.95	-64.15
COC[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490930	0	52	0.0	-75.65	401.91	6.86	-68.79
CC[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490931	0	51	0.0	-74.75	390.54	8.62	-66.13
CCC(C)CC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490932	0	60	0.0	-75.22	447.71	10.61	-64.61
C=CCCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490933	0	58	0.0	-75.05	446.10	10.78	-64.27
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012490934	0	53	0.0	-80.42	400.66	11.50	-68.92
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012490935	0	58	0.0	-76.46	434.04	11.44	-65.02
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012490936	0	52	0.0	-81.11	391.50	10.16	-70.95
CCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490937	0	54	0.0	-73.94	411.20	9.39	-64.55
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300012490938	0	54	0.0	-72.43	405.84	9.24	-63.19
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012490939	0	56	0.0	-85.37	411.26	12.10	-73.27
CCN(C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(C)(C)C(=O)[O-]	REAL300012490940	0	57	0.0	-76.61	414.76	11.34	-65.27
CCCN(C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(C)C(=O)[O-]	REAL300012490941	0	57	0.0	-56.06	421.41	11.97	-44.09
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012490942	0	51	0.0	-70.21	402.64	10.90	-59.31
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012490943	0	51	0.0	-70.21	402.64	10.90	-59.31
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012490944	0	54	0.0	-77.37	395.74	10.54	-66.83
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012490945	0	52	0.0	-81.03	390.13	10.10	-70.93
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012490946	0	53	0.0	-83.76	401.26	6.82	-76.94
CCC[C@@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490947	0	54	0.0	-73.10	412.22	9.39	-63.71
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012490948	0	55	0.0	-76.88	426.71	10.69	-66.19
C=CCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490949	0	55	0.0	-73.61	424.02	9.96	-63.65
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012490950	0	56	0.0	-75.25	416.88	9.76	-65.49
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012490951	0	55	0.0	-77.63	406.51	11.10	-66.53
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300012490952	0	54	0.0	-75.41	407.52	9.16	-66.25
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012490953	0	55	0.0	-71.78	426.25	10.74	-61.04
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012490954	0	58	0.0	-74.88	440.78	9.98	-64.90
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012490955	0	51	0.0	-68.59	380.68	9.64	-58.95
CCC[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490956	0	54	0.0	-73.95	411.21	9.40	-64.55
CCN(C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(C)C(=O)[O-]	REAL300012490957	0	54	0.0	-72.17	399.71	10.53	-61.64
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012490958	0	58	0.0	-61.09	424.75	11.96	-49.13
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300012490959	0	54	0.0	-79.62	402.82	10.38	-69.24
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490960	0	57	0.0	-70.52	420.30	9.58	-60.94
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300012490961	0	54	0.0	-72.17	400.93	10.77	-61.40
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012490962	0	56	0.0	-78.45	423.48	6.57	-71.88
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012490963	0	58	0.0	-78.75	426.56	10.30	-68.45
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012490964	0	61	0.0	-77.63	435.63	11.05	-66.58
COCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490965	0	55	0.0	-74.92	424.21	7.67	-67.25
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012490966	0	58	0.0	-78.89	427.65	10.99	-67.90
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012490967	0	55	0.0	-78.03	414.14	9.98	-68.05
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012490968	0	53	0.0	-81.59	399.56	6.98	-74.61
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012490969	0	56	0.0	-72.37	417.95	7.57	-64.80
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012490970	0	56	0.0	-79.22	411.06	11.69	-67.53
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012490971	0	54	0.0	-81.17	403.00	9.38	-71.79
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012490972	0	58	0.0	-83.67	421.69	12.39	-71.28
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012490973	0	62	0.0	-74.10	458.07	12.45	-61.65
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012490974	0	55	0.0	-76.43	410.67	9.50	-66.93
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012490975	0	61	0.0	-77.50	444.28	10.82	-66.68
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012490976	0	55	0.0	-76.43	410.67	9.50	-66.93
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012490977	0	55	0.0	-81.75	405.48	10.68	-71.07
C=CCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490978	0	52	0.0	-73.46	403.02	9.08	-64.38
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012490979	0	62	0.0	-56.85	436.29	12.36	-44.49
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012490980	0	56	0.0	-58.20	411.58	11.52	-46.68
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012490981	0	62	0.0	-74.10	458.07	12.45	-61.65
COC1CC(NC(=O)NC2CC[NH+](CC3=CC=CC=C3C)CC2)(C(=O)[O-])C1	REAL300012490982	0	56	0.0	-81.71	424.97	8.24	-73.47
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012490983	0	52	0.0	-77.62	400.03	9.31	-68.31
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](CC3=CC=CC=C3C)CC2)(C(=O)[O-])C1	REAL300012490984	0	56	0.0	-74.42	423.21	8.22	-66.20
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300012490985	0	58	0.0	-82.65	419.61	12.03	-70.62
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012490986	0	51	0.0	-69.37	406.47	9.30	-60.07
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012490987	0	59	0.0	-78.08	444.29	8.60	-69.48
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012490988	0	50	0.0	-73.22	382.49	6.35	-66.87
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012490989	0	57	0.0	-74.79	409.60	9.60	-65.19
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012490990	0	53	0.0	-83.86	396.46	11.69	-72.17
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012490991	0	56	0.0	-82.74	412.51	11.29	-71.45
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012490992	0	62	0.0	-78.16	453.21	11.44	-66.72
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012490993	0	62	0.0	-58.71	451.07	12.49	-46.22
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012490994	0	62	0.0	-82.64	449.09	12.45	-70.19
C=CCSCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012490995	0	56	0.0	-73.04	448.51	10.40	-62.64
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300012490996	0	57	0.0	-72.84	415.25	11.43	-61.41
COC1(C(NC(=O)NC2CC[NH+](CC3=CC=CC=C3C)CC2)C(=O)[O-])CCC1	REAL300012490997	0	59	0.0	-68.15	437.47	8.28	-59.87
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012490998	0	55	0.0	-81.28	423.22	10.13	-71.15
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012491000	0	52	0.0	-78.56	396.74	10.20	-68.36
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012491001	0	54	0.0	-58.55	405.37	11.35	-47.20
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012491002	0	58	0.0	-81.95	424.99	11.14	-70.81
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012491003	0	62	0.0	-82.64	445.79	13.16	-69.48
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300012491004	0	60	0.0	-74.10	450.27	10.69	-63.41
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012491005	0	59	0.0	-59.09	436.66	11.93	-47.16
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012491006	0	59	0.0	-78.08	444.29	8.60	-69.48
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=CC=C3C)CC2)C1	REAL300012491007	0	56	0.0	-78.70	432.33	11.66	-67.04
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012491008	0	59	0.0	-80.21	425.44	11.43	-68.78
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012491009	0	56	0.0	-79.87	412.59	10.52	-69.35
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012491010	0	59	0.0	-76.99	433.84	10.90	-66.09
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012491011	0	58	0.0	-77.24	433.92	10.29	-66.95
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012491012	0	55	0.0	-75.34	420.06	7.87	-67.47
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012491013	0	55	0.0	-77.22	404.79	9.81	-67.41
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012491014	0	58	0.0	-61.90	447.47	13.43	-48.47
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012491015	0	58	0.0	-59.03	429.12	11.30	-47.73
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012491016	0	55	0.0	-80.23	411.91	11.59	-68.64
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012491017	0	52	0.0	-84.99	401.55	10.22	-74.77
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012491018	0	55	0.0	-73.33	418.49	11.19	-62.14
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012491019	0	59	0.0	-83.53	427.68	11.91	-71.62
COCCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012491020	0	58	0.0	-74.42	445.47	8.51	-65.91
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1	REAL300012491021	0	57	0.0	-72.71	421.97	11.51	-61.20
CCOCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300012491022	0	55	0.0	-77.44	424.25	7.83	-69.61
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012491023	0	60	0.0	-76.04	441.54	11.04	-65.00
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012491024	0	59	0.0	-73.46	441.48	9.18	-64.28
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012491025	0	56	0.0	-82.63	412.08	10.03	-72.60
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012491026	0	52	0.0	-76.01	411.39	9.11	-66.90
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012491027	0	55	0.0	-62.85	429.13	11.57	-51.28
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012491028	0	51	0.0	-71.73	381.06	9.59	-62.14
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=CC=C3C)CC2)C1	REAL300012491029	0	59	0.0	-80.69	444.48	10.51	-70.18
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491030	0	60	0.0	-79.90	455.49	10.56	-69.34
C=CCOCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491031	0	59	0.0	-82.56	464.23	9.04	-73.52
C=CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491032	0	58	0.0	-79.23	449.16	10.41	-68.82
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(C)CC3C(=O)[O-])C=C2)CC1	REAL300012491033	0	61	0.0	-91.50	441.30	12.51	-78.99
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491034	0	57	0.0	-67.16	437.04	11.83	-55.33
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C1CCC1	REAL300012491035	0	61	0.0	-67.65	449.64	12.22	-55.43
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(CC)C(=O)[O-]	REAL300012491036	0	63	0.0	-85.35	469.82	13.74	-71.61
CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491037	0	57	0.0	-79.92	429.06	9.66	-70.26
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300012491038	0	58	0.0	-92.22	427.70	12.43	-79.79
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=C2)CC1	REAL300012491039	0	56	0.0	-87.95	427.27	12.18	-75.77
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=C2)CC1	REAL300012491040	0	61	0.0	-85.17	447.13	11.47	-73.70
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=C2)CC1	REAL300012491041	0	55	0.0	-87.30	416.32	11.17	-76.13
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012491042	0	58	0.0	-85.12	432.62	10.37	-74.75
CC1CC[NH+](CC2=CC=C(CNC(=O)NCC(=O)[O-])C=C2)CC1	REAL300012491043	0	48	0.0	-68.13	375.00	7.40	-60.73
CC1CC[NH+](CC2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491044	0	58	0.0	-82.14	453.75	11.32	-70.82
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491045	0	58	0.0	-81.62	453.14	11.35	-70.27
CCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491046	0	54	0.0	-80.03	417.62	9.25	-70.78
CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491047	0	57	0.0	-79.92	429.06	9.66	-70.26
CC1CC[NH+](CC2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2)CC1	REAL300012491048	0	51	0.0	-79.25	393.73	10.09	-69.16
CC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491049	0	51	0.0	-68.79	395.79	8.23	-60.56
CCC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491050	0	60	0.0	-81.35	452.60	10.46	-70.89
CC1CC[NH+](CC2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2)CC1	REAL300012491051	0	51	0.0	-79.25	393.73	10.09	-69.16
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300012491052	0	58	0.0	-92.22	427.70	12.43	-79.79
CCCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491053	0	60	0.0	-81.56	443.25	10.38	-71.18
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491054	0	57	0.0	-67.79	425.67	11.34	-56.45
CC1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300012491055	0	55	0.0	-68.02	418.80	11.59	-56.43
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491056	0	55	0.0	-66.89	428.36	11.63	-55.26
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491057	0	60	0.0	-66.57	451.46	12.13	-54.44
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C2)CC1	REAL300012491058	0	54	0.0	-66.89	408.36	8.63	-58.26
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012491059	0	58	0.0	-83.01	431.21	10.37	-72.64
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=C2)CC1	REAL300012491060	0	61	0.0	-85.17	447.13	11.47	-73.70
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491061	0	57	0.0	-67.79	425.67	11.34	-56.45
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491062	0	57	0.0	-67.16	437.04	11.83	-55.33
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491063	0	54	0.0	-79.59	415.55	11.07	-68.52
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491064	0	60	0.0	-81.25	448.82	10.21	-71.04
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012491065	0	58	0.0	-85.12	432.62	10.37	-74.75
CCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491066	0	57	0.0	-81.16	421.76	9.62	-71.54
C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491067	0	51	0.0	-68.67	395.62	8.25	-60.42
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491068	0	54	0.0	-79.59	415.55	11.07	-68.52
C[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491069	0	51	0.0	-69.30	396.06	8.19	-61.11
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=C2)CC1	REAL300012491070	0	52	0.0	-86.90	401.90	9.44	-77.46
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=C2)CC1	REAL300012491071	0	56	0.0	-88.05	418.87	9.76	-78.29
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012491072	0	55	0.0	-79.58	424.54	9.72	-69.86
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491073	0	58	0.0	-67.65	446.92	10.25	-57.40
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491074	0	55	0.0	-87.58	417.10	10.85	-76.73
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491075	0	58	0.0	-91.08	427.18	12.19	-78.89
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491076	0	54	0.0	-74.63	408.60	10.32	-64.31
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491077	0	55	0.0	-87.25	416.34	11.16	-76.09
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300012491078	0	55	0.0	-86.08	418.74	9.96	-76.12
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491079	0	55	0.0	-79.27	430.65	9.77	-69.50
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=C2)CC1	REAL300012491080	0	58	0.0	-87.22	433.45	11.72	-75.50
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCCCCC3C(=O)[O-])C=C2)CC1	REAL300012491081	0	61	0.0	-91.01	440.53	12.81	-78.20
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012491082	0	55	0.0	-79.58	424.54	9.72	-69.86
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491083	0	54	0.0	-75.00	407.57	10.26	-64.74
CCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491084	0	60	0.0	-79.59	460.37	10.86	-68.73
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)CC1	REAL300012491085	0	58	0.0	-87.24	433.17	11.64	-75.60
CC1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012491086	0	61	0.0	-66.48	451.88	12.64	-53.84
COCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491087	0	55	0.0	-81.54	429.47	7.49	-74.05
CCCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491088	0	63	0.0	-79.91	482.11	11.57	-68.34
CC1CC[NH+](CC2=CC=C(CNC(=O)N(C)C3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012491089	0	61	0.0	-87.73	443.07	12.06	-75.67
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C1CC1	REAL300012491090	0	58	0.0	-67.87	433.96	11.76	-56.11
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C1CC1	REAL300012491091	0	61	0.0	-65.61	454.59	12.75	-52.86
COCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491092	0	58	0.0	-85.28	440.00	8.90	-76.38
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491093	0	61	0.0	-76.64	460.61	10.66	-65.98
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491094	0	60	0.0	-66.57	451.46	12.13	-54.44
CC1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300012491095	0	55	0.0	-68.02	418.80	11.59	-56.43
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300012491096	0	56	0.0	-80.62	423.21	7.75	-72.87
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOCC3)C=C2)CC1	REAL300012491097	0	59	0.0	-83.80	438.55	8.97	-74.83
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491098	0	58	0.0	-79.32	451.68	10.64	-68.68
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C2)CC1	REAL300012491099	0	51	0.0	-67.45	399.72	8.22	-59.23
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491100	0	54	0.0	-75.00	407.57	10.26	-64.74
CCC(CC)(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491101	0	60	0.0	-82.48	438.43	10.52	-71.96
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491102	0	60	0.0	-65.54	448.86	12.51	-53.03
CCC(COC)(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491103	0	61	0.0	-86.73	456.44	9.82	-76.91
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300012491104	0	58	0.0	-79.95	449.22	10.81	-69.14
COCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491105	0	58	0.0	-79.42	451.05	8.37	-71.05
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491106	0	63	0.0	-76.81	468.34	12.81	-64.00
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C2)CC1	REAL300012491107	0	54	0.0	-74.91	427.99	9.84	-65.07
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012491108	0	60	0.0	-81.77	450.01	12.54	-69.23
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C2)CC1	REAL300012491109	0	54	0.0	-77.78	423.96	9.45	-68.33
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C2)CC1	REAL300012491110	0	57	0.0	-77.71	428.34	9.76	-67.95
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491111	0	55	0.0	-79.84	430.07	11.01	-68.83
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491112	0	54	0.0	-74.82	408.90	10.38	-64.44
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)CC1	REAL300012491113	0	56	0.0	-92.90	423.63	11.79	-81.11
CC1CC[NH+](CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300012491114	0	60	0.0	-80.24	446.80	10.37	-69.87
C=C(Cl)CC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491115	0	55	0.0	-76.49	446.08	10.37	-66.12
C=C(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491116	0	58	0.0	-80.15	448.94	10.62	-69.53
CC1CC[NH+](CC2=CC=C(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2)CC1	REAL300012491117	0	59	0.0	-94.88	438.16	12.62	-82.26
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491118	0	55	0.0	-79.50	429.28	11.33	-68.17
CC1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491119	0	55	0.0	-84.10	422.79	11.26	-72.84
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCC(C)CC3)C=C2)C1	REAL300012491120	0	56	0.0	-87.43	430.55	11.21	-76.22
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491121	0	60	0.0	-79.90	455.49	10.56	-69.34
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491122	0	58	0.0	-81.62	453.14	11.35	-70.27
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300012491123	0	58	0.0	-79.95	449.22	10.81	-69.14
CSCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491124	0	55	0.0	-77.68	441.07	9.67	-68.01
COC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491125	0	55	0.0	-81.54	429.43	7.49	-74.05
CC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491126	0	54	0.0	-80.02	417.57	9.25	-70.77
CCC(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491127	0	63	0.0	-80.81	474.68	11.19	-69.62
C=CCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491128	0	61	0.0	-79.95	473.42	11.35	-68.60
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=C2)CC1	REAL300012491129	0	56	0.0	-87.95	427.27	12.18	-75.77
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491130	0	55	0.0	-87.58	417.10	10.85	-76.73
CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491131	0	57	0.0	-79.66	438.87	10.08	-69.58
CC(C)[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491132	0	57	0.0	-79.58	432.74	9.86	-69.72
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C=C2)CC1	REAL300012491133	0	59	0.0	-93.96	437.34	12.68	-81.28
CCN(C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012491134	0	60	0.0	-84.87	442.34	12.04	-72.83
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012491135	0	60	0.0	-81.77	450.01	12.54	-69.23
CC1CC[NH+](CC2=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=C2)CC1	REAL300012491136	0	57	0.0	-84.72	422.75	11.16	-73.56
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491137	0	55	0.0	-87.25	416.34	11.16	-76.09
CC1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491138	0	56	0.0	-88.93	428.33	7.47	-81.46
CCC[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491139	0	57	0.0	-79.66	438.87	10.08	-69.58
CC1CC[NH+](CC2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491140	0	58	0.0	-82.14	453.75	11.32	-70.82
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491141	0	58	0.0	-79.32	451.68	10.64	-68.68
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)CC1	REAL300012491142	0	58	0.0	-88.28	433.12	11.66	-76.62
CC(C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491143	0	57	0.0	-80.64	434.62	9.82	-70.82
CC1CC[NH+](CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491144	0	58	0.0	-82.10	453.74	11.33	-70.77
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491145	0	54	0.0	-74.82	408.90	10.38	-64.44
CCC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491146	0	57	0.0	-79.98	439.07	10.01	-69.97
CCN(C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012491147	0	57	0.0	-75.18	424.81	10.99	-64.19
CC1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012491148	0	61	0.0	-66.48	451.88	12.64	-53.84
CC(CN(C)C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491149	0	57	0.0	-77.77	427.97	10.73	-67.04
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491150	0	60	0.0	-81.25	448.82	10.21	-71.04
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491151	0	57	0.0	-75.78	428.04	11.25	-64.53
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)C=C2)CC1	REAL300012491152	0	59	0.0	-86.39	450.96	7.26	-79.13
CC1CCC(NC(=O)NCC2=CC=C(C[NH+]3CCC(C)CC3)C=C2)(C(=O)[O-])C1	REAL300012491153	0	61	0.0	-85.46	453.68	10.99	-74.47
COCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491154	0	58	0.0	-79.42	451.05	8.37	-71.05
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)CC1	REAL300012491155	0	61	0.0	-86.89	454.90	11.66	-75.23
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)CC1	REAL300012491156	0	58	0.0	-82.64	441.22	10.61	-72.03
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491157	0	56	0.0	-94.13	428.31	7.63	-86.50
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCOC3)C=C2)CC1	REAL300012491158	0	59	0.0	-80.16	444.35	8.29	-71.87
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=C2)CC1	REAL300012491159	0	59	0.0	-91.83	438.16	12.24	-79.59
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)C=C2)CC1	REAL300012491160	0	57	0.0	-88.35	430.96	9.99	-78.36
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CC(C)CCC3C(=O)[O-])C=C2)CC1	REAL300012491161	0	61	0.0	-91.72	448.54	13.02	-78.70
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC1	REAL300012491162	0	58	0.0	-80.78	437.28	10.21	-70.57
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC1	REAL300012491163	0	58	0.0	-80.78	437.28	10.21	-70.57
CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCC(C)CC3)C=C2)C1C(=O)[O-]	REAL300012491164	0	58	0.0	-88.73	437.68	11.47	-77.26
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491165	0	55	0.0	-79.27	430.65	9.77	-69.50
CC1CC[NH+](CC2=CC=C(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491166	0	59	0.0	-66.96	438.80	12.13	-54.83
COC1CC(NC(=O)NCC2=CC=C(C[NH+]3CCC(C)CC3)C=C2)(C(=O)[O-])C1	REAL300012491167	0	59	0.0	-88.02	452.06	8.92	-79.10
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=C2)CC1	REAL300012491168	0	55	0.0	-83.58	427.17	9.99	-73.59
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(C[NH+]3CCC(C)CC3)C=C2)(C(=O)[O-])C1	REAL300012491169	0	59	0.0	-84.47	450.78	9.22	-75.25
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491170	0	61	0.0	-89.66	446.76	12.94	-76.72
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=C2)CC1	REAL300012491171	0	53	0.0	-79.31	409.56	7.00	-72.31
CC(C)C(C)(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491172	0	60	0.0	-82.29	438.49	10.30	-71.99
CC1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491173	0	56	0.0	-91.99	424.00	12.33	-79.66
CC1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491174	0	59	0.0	-89.53	439.53	11.75	-77.78
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491175	0	60	0.0	-75.86	442.33	12.06	-63.80
CC1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491176	0	55	0.0	-84.10	422.79	11.26	-72.84
CC1CC[NH+](CC2=CC=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)CC1	REAL300012491177	0	57	0.0	-65.20	432.42	11.98	-53.22
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])C=C2)CC1	REAL300012491178	0	61	0.0	-88.67	448.70	12.11	-76.56
CC(C)CCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491179	0	63	0.0	-80.13	478.18	11.31	-68.82
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CC4(CCC4)CC3C(=O)[O-])C=C2)CC1	REAL300012491180	0	62	0.0	-66.39	464.18	12.61	-53.78
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC4CC43)C=C2)CC1	REAL300012491181	0	62	0.0	-87.20	452.97	12.11	-75.09
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC4CC43)C=C2)CC1	REAL300012491182	0	59	0.0	-86.71	440.11	11.19	-75.52
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C=C2)CC1	REAL300012491183	0	62	0.0	-85.52	461.36	11.58	-73.94
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012491184	0	61	0.0	-81.27	453.78	10.83	-70.44
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491185	0	58	0.0	-81.42	447.58	8.49	-72.93
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491186	0	58	0.0	-88.34	440.27	10.94	-77.40
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])C=C2)CC1	REAL300012491187	0	61	0.0	-66.17	456.20	11.96	-54.21
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])C=C2)CC1	REAL300012491188	0	55	0.0	-89.37	428.05	11.30	-78.07
CC1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491189	0	62	0.0	-90.36	454.76	12.54	-77.82
COCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491190	0	61	0.0	-79.21	472.55	9.15	-70.06
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491191	0	60	0.0	-75.32	450.59	12.17	-63.15
CCOCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300012491192	0	58	0.0	-81.96	451.33	8.47	-73.49
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C2)CC1	REAL300012491193	0	63	0.0	-80.64	468.47	11.65	-68.99
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491194	0	59	0.0	-90.91	439.04	10.75	-80.16
CC1CC[NH+](CC2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C2)CC1	REAL300012491195	0	55	0.0	-79.91	438.46	9.75	-70.16
CC1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CO3)C=C2)CC1	REAL300012491196	0	58	0.0	-68.56	456.21	12.21	-56.35
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300012491197	0	54	0.0	-74.63	408.60	10.32	-64.31
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491198	0	60	0.0	-76.69	451.26	10.43	-66.26
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491198	1	60	0.0	-77.13	451.26	10.43	-66.70
C=CCOCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491199	0	59	0.0	-79.29	460.01	8.90	-70.39
C=CCOCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491199	1	59	0.0	-78.12	459.53	8.89	-69.23
C=CC(C)C(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491200	0	58	0.0	-77.14	438.19	10.03	-67.11
C=CC(C)C(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491200	1	58	0.0	-77.48	438.20	10.03	-67.45
CC1CCN(C(=O)NCC2=CC=C(C[N@@H+]3CCCCC3C)C=C2)C(C(=O)[O-])C1	REAL300012491201	0	61	0.0	-89.06	437.62	12.66	-76.40
CC1CCN(C(=O)NCC2=CC=C(C[N@H+]3CCCCC3C)C=C2)C(C(=O)[O-])C1	REAL300012491201	1	61	0.0	-90.63	437.62	12.66	-77.97
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491202	0	57	0.0	-64.10	432.82	11.69	-52.41
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491202	1	57	0.0	-63.11	432.82	11.69	-51.42
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C1CCC1	REAL300012491203	0	61	0.0	-59.07	441.25	12.95	-46.12
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C1CCC1	REAL300012491203	1	61	0.0	-60.97	441.32	12.79	-48.18
CCCN(C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(CC)C(=O)[O-]	REAL300012491204	0	63	0.0	-72.67	459.12	12.66	-60.01
CCCN(C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(CC)C(=O)[O-]	REAL300012491204	1	63	0.0	-73.09	459.11	12.66	-60.43
CC(C)C(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491205	0	57	0.0	-76.39	424.84	9.52	-66.87
CC(C)C(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491205	1	57	0.0	-77.40	430.43	9.70	-67.70
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300012491206	0	58	0.0	-87.53	423.01	12.02	-75.51
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300012491206	1	58	0.0	-87.47	423.02	12.05	-75.42
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300012491207	0	56	0.0	-85.75	416.76	11.90	-73.85
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300012491207	1	56	0.0	-85.84	416.80	11.90	-73.94
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300012491208	0	61	0.0	-82.19	436.17	11.02	-71.17
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300012491208	1	61	0.0	-82.32	436.17	11.02	-71.30
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCCC2C(=O)[O-])C=C1	REAL300012491209	0	55	0.0	-85.06	412.89	10.71	-74.35
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCCC2C(=O)[O-])C=C1	REAL300012491209	1	55	0.0	-83.94	412.14	11.03	-72.91
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300012491210	0	58	0.0	-82.08	428.42	10.25	-71.83
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300012491210	1	58	0.0	-82.10	428.49	10.25	-71.85
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCC(=O)[O-])C=C1	REAL300012491211	0	48	0.0	-64.88	370.77	7.26	-57.62
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC(=O)[O-])C=C1	REAL300012491211	1	48	0.0	-64.93	370.78	7.27	-57.66
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012491212	0	58	0.0	-78.96	449.57	11.19	-67.77
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012491212	1	58	0.0	-78.68	449.55	11.18	-67.50
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012491213	0	58	0.0	-78.73	448.93	11.21	-67.52
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012491213	1	58	0.0	-78.41	448.93	11.21	-67.20
CCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491214	0	54	0.0	-76.19	413.16	9.18	-67.01
CCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491214	1	54	0.0	-76.87	413.39	9.12	-67.75
CC(C)C(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491215	0	57	0.0	-76.39	424.84	9.52	-66.87
CC(C)C(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491215	1	57	0.0	-77.40	430.43	9.70	-67.70
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C1	REAL300012491216	0	51	0.0	-76.18	389.52	9.95	-66.23
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C1	REAL300012491216	1	51	0.0	-75.81	389.51	9.95	-65.86
CC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491217	0	51	0.0	-65.55	391.40	8.12	-57.43
CC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491217	1	51	0.0	-65.26	391.40	8.12	-57.14
CCC(C)C(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491218	0	60	0.0	-77.19	443.33	10.15	-67.04
CCC(C)C(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491218	1	60	0.0	-76.87	446.51	10.36	-66.51
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C1	REAL300012491219	0	51	0.0	-76.18	389.52	9.95	-66.23
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C1	REAL300012491219	1	51	0.0	-75.81	389.51	9.95	-65.86
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300012491220	0	58	0.0	-87.53	423.01	12.02	-75.51
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300012491220	1	58	0.0	-87.47	423.02	12.05	-75.42
CCCC(C)(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491221	0	60	0.0	-77.99	439.03	10.25	-67.74
CCCC(C)(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491221	1	60	0.0	-78.61	439.03	10.25	-68.36
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491222	0	57	0.0	-78.01	421.70	11.21	-66.80
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491222	1	57	0.0	-63.84	421.45	11.21	-52.63
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300012491223	0	55	0.0	-77.48	409.48	11.01	-66.47
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300012491223	1	55	0.0	-64.43	407.85	11.15	-53.28
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491224	0	55	0.0	-64.08	424.14	11.50	-52.58
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491224	1	55	0.0	-63.89	424.13	11.49	-52.40
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491225	0	60	0.0	-63.55	447.23	12.00	-51.55
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491225	1	60	0.0	-63.21	447.48	12.21	-51.00
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300012491226	0	54	0.0	-63.23	404.14	8.49	-54.74
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300012491226	1	54	0.0	-63.81	404.15	8.49	-55.32
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300012491227	0	58	0.0	-79.73	427.04	10.23	-69.50
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300012491227	1	58	0.0	-79.45	427.04	10.24	-69.21
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300012491228	0	61	0.0	-82.19	436.17	11.02	-71.17
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300012491228	1	61	0.0	-82.32	436.17	11.02	-71.30
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491229	0	57	0.0	-78.01	421.70	11.21	-66.80
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491229	1	57	0.0	-63.84	421.45	11.21	-52.63
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491230	0	57	0.0	-64.10	432.82	11.69	-52.41
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491230	1	57	0.0	-63.11	432.82	11.69	-51.42
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491231	0	54	0.0	-76.07	411.32	10.93	-65.14
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491231	1	54	0.0	-76.61	411.33	10.93	-65.68
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491232	0	60	0.0	-76.94	442.97	10.05	-66.89
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491232	1	60	0.0	-78.41	444.64	10.08	-68.33
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300012491233	0	58	0.0	-82.08	428.42	10.25	-71.83
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300012491233	1	58	0.0	-82.10	428.49	10.25	-71.85
CCC(C)(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491234	0	57	0.0	-77.60	417.53	9.49	-68.11
CCC(C)(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491234	1	57	0.0	-78.18	417.53	9.49	-68.69
C[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491235	0	51	0.0	-65.70	391.57	8.09	-57.61
C[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491235	1	51	0.0	-65.28	391.40	8.12	-57.16
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491236	0	54	0.0	-76.07	411.32	10.93	-65.14
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491236	1	54	0.0	-76.61	411.33	10.93	-65.68
C[C@@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491237	0	51	0.0	-66.00	391.88	8.06	-57.94
C[C@@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491237	1	51	0.0	-65.67	391.88	8.06	-57.61
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300012491238	0	52	0.0	-83.89	390.93	9.00	-74.89
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300012491238	1	52	0.0	-84.86	390.96	9.00	-75.86
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300012491239	0	56	0.0	-84.52	407.29	9.32	-75.20
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300012491239	1	56	0.0	-84.53	407.33	9.32	-75.21
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300012491240	0	55	0.0	-78.36	419.78	9.61	-68.75
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300012491240	1	55	0.0	-77.35	417.64	9.59	-67.76
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491241	0	58	0.0	-64.66	442.70	10.12	-54.54
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491241	1	58	0.0	-63.50	442.70	10.12	-53.38
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300012491242	0	55	0.0	-84.97	414.31	10.62	-74.35
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300012491242	1	55	0.0	-84.72	414.31	10.61	-74.11
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300012491243	0	58	0.0	-87.70	423.17	12.07	-75.63
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300012491243	1	58	0.0	-88.98	422.94	12.02	-76.96
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491244	0	54	0.0	-71.27	404.42	10.19	-61.08
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491244	1	54	0.0	-71.36	404.42	10.19	-61.17
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300012491245	0	55	0.0	-85.01	412.10	11.04	-73.97
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300012491245	1	55	0.0	-84.29	412.93	10.74	-73.55
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300012491246	0	55	0.0	-82.83	414.32	9.83	-73.00
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300012491246	1	55	0.0	-82.48	414.52	9.83	-72.65
C=CCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491247	0	55	0.0	-76.35	426.67	9.57	-66.78
C=CCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491247	1	55	0.0	-75.79	426.43	9.63	-66.16
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300012491248	0	58	0.0	-83.51	429.28	11.56	-71.95
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300012491248	1	58	0.0	-83.94	429.26	11.59	-72.35
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCCCCC2C(=O)[O-])C=C1	REAL300012491249	0	61	0.0	-87.41	436.35	12.68	-74.73
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCCCCC2C(=O)[O-])C=C1	REAL300012491249	1	61	0.0	-87.58	436.29	12.68	-74.90
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300012491250	0	55	0.0	-78.36	419.78	9.61	-68.75
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300012491250	1	55	0.0	-77.35	417.64	9.59	-67.76
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491251	0	54	0.0	-71.20	403.91	10.08	-61.12
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491251	1	54	0.0	-71.82	403.35	10.12	-61.70
CCCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491252	0	60	0.0	-76.13	456.15	10.72	-65.41
CCCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491252	1	60	0.0	-76.62	455.56	10.67	-65.95
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300012491253	0	58	0.0	-83.58	429.23	11.56	-72.02
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300012491253	1	58	0.0	-83.96	429.35	11.58	-72.38
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300012491254	0	61	0.0	-62.37	447.67	12.51	-49.86
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300012491254	1	61	0.0	-63.46	447.68	12.51	-50.95
COCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491255	0	55	0.0	-78.14	424.77	7.34	-70.80
COCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491255	1	55	0.0	-78.13	425.12	7.40	-70.73
CCCCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491256	0	63	0.0	-76.13	477.65	11.50	-64.63
CCCCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491256	1	63	0.0	-76.62	477.89	11.45	-65.17
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C=C1	REAL300012491257	0	61	0.0	-84.92	432.12	11.65	-73.27
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C=C1	REAL300012491257	1	61	0.0	-84.82	432.13	11.60	-73.22
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C1CC1	REAL300012491258	0	58	0.0	-64.54	423.00	11.32	-53.22
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C1CC1	REAL300012491258	1	58	0.0	-72.34	414.98	10.96	-61.38
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C1CC1	REAL300012491259	0	61	0.0	-75.94	438.43	12.25	-63.69
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C1CC1	REAL300012491259	1	61	0.0	-63.39	443.47	12.28	-51.11
COCC(C)(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491260	0	58	0.0	-81.68	435.78	8.76	-72.92
COCC(C)(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491260	1	58	0.0	-82.60	435.78	8.78	-73.82
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491261	0	61	0.0	-73.28	456.39	10.53	-62.75
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491261	1	61	0.0	-72.92	455.88	10.54	-62.38
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491262	0	60	0.0	-63.55	447.23	12.00	-51.55
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491262	1	60	0.0	-63.21	447.48	12.21	-51.00
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300012491263	0	55	0.0	-77.48	409.48	11.01	-66.47
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300012491263	1	55	0.0	-64.43	407.85	11.15	-53.28
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300012491264	0	56	0.0	-77.42	419.06	7.66	-69.76
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300012491264	1	56	0.0	-77.48	419.12	7.63	-69.85
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300012491265	0	59	0.0	-80.45	434.33	8.84	-71.61
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300012491265	1	59	0.0	-80.44	434.34	8.85	-71.59
C=CCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491266	0	58	0.0	-76.49	447.70	10.44	-66.05
C=CCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491266	1	58	0.0	-76.20	447.71	10.44	-65.76
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C1	REAL300012491267	0	51	0.0	-63.53	395.18	8.11	-55.42
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C1	REAL300012491267	1	51	0.0	-63.74	395.02	8.13	-55.61
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491268	0	54	0.0	-71.20	403.91	10.08	-61.12
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491268	1	54	0.0	-71.82	403.35	10.12	-61.70
CCC(CC)(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491269	0	60	0.0	-78.91	433.92	10.38	-68.53
CCC(CC)(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491269	1	60	0.0	-79.57	433.92	10.38	-69.19
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491270	0	60	0.0	-62.56	444.64	12.37	-50.19
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491270	1	60	0.0	-62.47	442.04	12.27	-50.20
CCC(COC)(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491271	0	61	0.0	-83.12	452.22	9.69	-73.43
CCC(COC)(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491271	1	61	0.0	-84.17	452.45	9.68	-74.49
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300012491272	0	58	0.0	-77.10	445.01	10.67	-66.43
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300012491272	1	58	0.0	-76.22	444.18	10.68	-65.54
COCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491273	0	58	0.0	-76.26	447.07	8.17	-68.09
COCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491273	1	58	0.0	-76.22	446.82	8.24	-67.98
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491274	0	63	0.0	-72.82	461.68	12.46	-60.36
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491274	1	63	0.0	-73.96	462.63	12.53	-61.43
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300012491275	0	54	0.0	-75.56	424.91	9.41	-66.15
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300012491275	1	54	0.0	-75.31	425.75	9.40	-65.91
CCCN(C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(C)C(=O)[O-]	REAL300012491276	0	60	0.0	-60.61	443.67	12.59	-48.02
CCCN(C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(C)C(=O)[O-]	REAL300012491276	1	60	0.0	-60.57	443.86	12.51	-48.06
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C1	REAL300012491277	0	54	0.0	-74.78	419.15	9.27	-65.51
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C1	REAL300012491277	1	54	0.0	-74.31	419.75	9.32	-64.99
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300012491278	0	57	0.0	-74.96	424.12	9.63	-65.33
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300012491278	1	57	0.0	-74.18	424.13	9.63	-64.55
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C=C1	REAL300012491279	0	55	0.0	-77.13	425.87	10.88	-66.25
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C=C1	REAL300012491279	1	55	0.0	-76.30	425.92	10.87	-65.43
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491280	0	54	0.0	-71.83	403.49	10.19	-61.64
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491280	1	54	0.0	-71.94	403.35	10.12	-61.82
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300012491281	0	56	0.0	-89.56	419.64	11.64	-77.92
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300012491281	1	56	0.0	-89.58	419.60	11.64	-77.94
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300012491282	0	60	0.0	-77.52	442.58	10.24	-67.28
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300012491282	1	60	0.0	-78.22	444.19	10.23	-67.99
C=C(Cl)CC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491283	0	55	0.0	-72.76	441.62	10.30	-62.46
C=C(Cl)CC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491283	1	55	0.0	-72.58	441.63	10.30	-62.28
C=C(C)CC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491284	0	58	0.0	-76.86	446.29	10.49	-66.37
C=C(C)CC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491284	1	58	0.0	-76.94	444.15	10.58	-66.36
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300012491285	0	59	0.0	-93.18	434.12	12.50	-80.68
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300012491285	1	59	0.0	-91.61	434.56	12.49	-79.12
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300012491286	0	55	0.0	-75.91	425.19	11.20	-64.71
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300012491286	1	55	0.0	-76.13	425.15	11.20	-64.93
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300012491287	0	55	0.0	-80.91	419.47	10.82	-70.09
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300012491287	1	55	0.0	-80.81	418.63	11.13	-69.68
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[N@H+]3CCCCC3C)C=C2)C1	REAL300012491288	0	56	0.0	-84.63	419.62	10.78	-73.85
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[N@@H+]3CCCCC3C)C=C2)C1	REAL300012491288	1	56	0.0	-84.53	419.66	10.78	-73.75
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491289	0	60	0.0	-76.69	451.26	10.43	-66.26
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491289	1	60	0.0	-77.13	451.26	10.43	-66.70
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012491290	0	58	0.0	-78.73	448.93	11.21	-67.52
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012491290	1	58	0.0	-78.41	448.93	11.21	-67.20
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300012491291	0	58	0.0	-77.10	445.01	10.67	-66.43
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300012491291	1	58	0.0	-76.22	444.18	10.68	-65.54
CSCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491292	0	55	0.0	-74.09	436.19	9.56	-64.53
CSCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491292	1	55	0.0	-74.87	437.09	9.47	-65.40
COC[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491293	0	55	0.0	-78.35	425.26	7.35	-71.00
COC[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491293	1	55	0.0	-78.32	424.77	7.34	-70.98
CC[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491294	0	54	0.0	-76.81	413.40	9.11	-67.70
CC[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491294	1	54	0.0	-77.14	413.40	9.12	-68.02
CCC(C)CC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491295	0	63	0.0	-76.62	469.50	11.08	-65.54
CCC(C)CC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491295	1	63	0.0	-77.75	470.46	11.08	-66.67
C=CCCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491296	0	61	0.0	-76.27	468.37	11.23	-65.04
C=CCCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491296	1	61	0.0	-76.39	469.20	11.22	-65.17
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300012491297	0	56	0.0	-85.75	416.76	11.90	-73.85
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300012491297	1	56	0.0	-85.84	416.80	11.90	-73.94
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300012491298	0	55	0.0	-84.97	414.31	10.62	-74.35
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300012491298	1	55	0.0	-84.72	414.31	10.61	-74.11
CCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491299	0	57	0.0	-76.73	434.90	9.88	-66.85
CCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491299	1	57	0.0	-76.63	434.06	9.89	-66.74
CC(C)[C@@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491300	0	57	0.0	-76.44	424.85	9.52	-66.92
CC(C)[C@@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491300	1	57	0.0	-77.38	425.50	9.44	-67.94
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=C1	REAL300012491301	0	59	0.0	-90.55	433.76	12.59	-77.96
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=C1	REAL300012491301	1	59	0.0	-91.40	427.34	12.30	-79.10
CCN(C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(C)(C)C(=O)[O-]	REAL300012491302	0	60	0.0	-81.19	438.12	11.90	-69.29
CCN(C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(C)(C)C(=O)[O-]	REAL300012491302	1	60	0.0	-82.21	438.12	11.90	-70.31
CCCN(C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(C)C(=O)[O-]	REAL300012491303	0	60	0.0	-60.61	443.67	12.59	-48.02
CCCN(C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(C)C(=O)[O-]	REAL300012491303	1	60	0.0	-60.57	443.86	12.51	-48.06
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300012491304	0	57	0.0	-81.04	418.64	11.02	-70.02
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300012491304	1	57	0.0	-81.07	418.53	11.03	-70.04
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300012491305	0	55	0.0	-85.01	412.10	11.04	-73.97
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300012491305	1	55	0.0	-84.29	412.93	10.74	-73.55
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C=C1	REAL300012491306	0	56	0.0	-86.28	425.54	7.23	-79.05
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C=C1	REAL300012491306	1	56	0.0	-86.72	424.19	7.32	-79.40
CCC[C@@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491307	0	57	0.0	-76.52	434.90	9.88	-66.64
CCC[C@@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491307	1	57	0.0	-76.85	434.89	9.89	-66.96
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012491308	0	58	0.0	-78.96	449.57	11.19	-67.77
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012491308	1	58	0.0	-78.68	449.55	11.18	-67.50
C=CCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491309	0	58	0.0	-76.49	447.70	10.44	-66.05
C=CCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491309	1	58	0.0	-76.20	447.71	10.44	-65.76
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300012491310	0	58	0.0	-84.29	422.54	11.26	-73.03
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300012491310	1	58	0.0	-84.41	422.52	11.27	-73.14
CC(C)[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491311	0	57	0.0	-77.29	426.09	9.44	-67.85
CC(C)[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491311	1	57	0.0	-77.71	426.09	9.44	-68.27
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012491312	0	58	0.0	-78.72	448.93	11.21	-67.51
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012491312	1	58	0.0	-78.82	449.53	11.18	-67.64
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491313	0	54	0.0	-71.83	403.49	10.19	-61.64
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491313	1	54	0.0	-71.94	403.35	10.12	-61.82
CCC[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491314	0	57	0.0	-76.73	434.90	9.88	-66.85
CCC[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491314	1	57	0.0	-77.14	434.89	9.89	-67.25
CCN(C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(C)C(=O)[O-]	REAL300012491315	0	57	0.0	-79.37	424.36	11.65	-67.72
CCN(C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(C)C(=O)[O-]	REAL300012491315	1	57	0.0	-79.73	424.31	11.66	-68.07
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300012491316	0	61	0.0	-62.37	447.67	12.51	-49.86
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300012491316	1	61	0.0	-63.46	447.68	12.51	-50.95
CC(CN(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491317	0	57	0.0	-74.62	424.62	10.62	-64.00
CC(CN(C)C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491317	1	57	0.0	-75.35	424.63	10.62	-64.73
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491318	0	60	0.0	-76.94	442.97	10.05	-66.89
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491318	1	60	0.0	-78.41	444.64	10.08	-68.33
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491319	0	57	0.0	-71.89	424.87	11.26	-60.63
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491319	1	57	0.0	-72.45	423.78	11.27	-61.18
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C=C1	REAL300012491320	0	59	0.0	-87.78	444.84	7.01	-80.77
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C=C1	REAL300012491320	1	59	0.0	-87.63	444.78	7.02	-80.61
CC1CCC(NC(=O)NCC2=CC=C(C[N@@H+]3CCCCC3C)C=C2)(C(=O)[O-])C1	REAL300012491321	0	61	0.0	-81.96	449.57	10.81	-71.15
CC1CCC(NC(=O)NCC2=CC=C(C[N@H+]3CCCCC3C)C=C2)(C(=O)[O-])C1	REAL300012491321	1	61	0.0	-81.65	449.62	10.81	-70.84
COCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491322	0	58	0.0	-76.26	447.07	8.17	-68.09
COCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491322	1	58	0.0	-76.22	446.82	8.24	-67.98
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300012491323	0	61	0.0	-84.13	450.60	11.53	-72.60
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300012491323	1	61	0.0	-83.26	450.60	11.53	-71.73
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300012491324	0	58	0.0	-78.88	442.21	10.19	-68.69
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300012491324	1	58	0.0	-79.15	437.00	10.48	-68.67
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C=C1	REAL300012491325	0	56	0.0	-90.79	416.12	7.21	-83.58
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C=C1	REAL300012491325	1	56	0.0	-90.12	422.84	7.51	-82.61
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOC2)C=C1	REAL300012491326	0	59	0.0	-78.87	439.92	8.13	-70.74
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOC2)C=C1	REAL300012491326	1	59	0.0	-78.48	439.92	8.13	-70.35
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1	REAL300012491327	0	59	0.0	-89.79	433.88	12.18	-77.61
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1	REAL300012491327	1	59	0.0	-90.32	427.13	11.86	-78.46
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1	REAL300012491328	0	57	0.0	-85.86	426.42	9.91	-75.95
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1	REAL300012491328	1	57	0.0	-84.94	426.33	9.92	-75.02
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[N@@H+]3CCCCC3C)C=C2)C1	REAL300012491329	0	61	0.0	-88.17	439.05	12.94	-75.23
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[N@H+]3CCCCC3C)C=C2)C1	REAL300012491329	1	61	0.0	-88.33	439.34	12.89	-75.44
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300012491330	0	58	0.0	-76.88	437.75	10.10	-66.78
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300012491330	1	58	0.0	-77.87	433.53	10.00	-67.87
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300012491331	0	58	0.0	-76.88	437.75	10.10	-66.78
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300012491331	1	58	0.0	-77.87	433.53	10.00	-67.87
CC1CCN(C(=O)NCC2=CC=C(C[N@@H+]3CCCCC3C)C=C2)C1C(=O)[O-]	REAL300012491332	0	58	0.0	-85.88	426.78	10.98	-74.90
CC1CCN(C(=O)NCC2=CC=C(C[N@H+]3CCCCC3C)C=C2)C1C(=O)[O-]	REAL300012491332	1	58	0.0	-85.82	426.81	10.98	-74.84
C=CCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491333	0	55	0.0	-76.35	426.67	9.57	-66.78
C=CCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491333	1	55	0.0	-75.79	426.43	9.63	-66.16
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=C1	REAL300012491334	0	59	0.0	-64.09	435.64	12.04	-52.05
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=C1	REAL300012491334	1	59	0.0	-64.53	428.95	11.72	-52.81
COC1CC(NC(=O)NCC2=CC=C(C[N@@H+]3CCCCC3C)C=C2)(C(=O)[O-])C1	REAL300012491335	0	59	0.0	-84.51	447.72	8.78	-75.73
COC1CC(NC(=O)NCC2=CC=C(C[N@H+]3CCCCC3C)C=C2)(C(=O)[O-])C1	REAL300012491335	1	59	0.0	-84.76	447.78	8.79	-75.97
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300012491336	0	55	0.0	-80.69	423.22	9.85	-70.84
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300012491336	1	55	0.0	-80.34	423.12	9.85	-70.49
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(C[N@@H+]3CCCCC3C)C=C2)(C(=O)[O-])C1	REAL300012491337	0	59	0.0	-80.95	446.64	9.10	-71.85
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(C[N@H+]3CCCCC3C)C=C2)(C(=O)[O-])C1	REAL300012491337	1	59	0.0	-79.09	445.95	8.70	-70.39
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491338	0	61	0.0	-84.69	445.04	12.73	-71.96
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491338	1	61	0.0	-86.16	444.99	12.76	-73.40
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])COC2)C=C1	REAL300012491339	0	53	0.0	-76.45	398.60	6.56	-69.89
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])COC2)C=C1	REAL300012491339	1	53	0.0	-76.51	398.60	6.56	-69.95
CC(C)C(C)(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491340	0	60	0.0	-78.76	434.26	10.19	-68.57
CC(C)C(C)(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491340	1	60	0.0	-78.94	432.45	10.12	-68.82
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012491341	0	56	0.0	-88.46	419.48	12.24	-76.22
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012491341	1	56	0.0	-88.44	419.48	12.23	-76.21
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012491342	0	59	0.0	-86.45	428.74	11.50	-74.95
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012491342	1	59	0.0	-85.72	435.46	11.80	-73.92
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491343	0	60	0.0	-72.31	437.60	11.82	-60.49
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491343	1	60	0.0	-72.67	438.11	11.93	-60.74
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300012491344	0	55	0.0	-80.91	419.47	10.82	-70.09
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300012491344	1	55	0.0	-80.81	418.63	11.13	-69.68
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1	REAL300012491345	0	57	0.0	-62.94	420.43	11.56	-51.38
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1	REAL300012491345	1	57	0.0	-61.73	421.17	11.55	-50.18
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1	REAL300012491346	0	61	0.0	-86.14	448.35	11.66	-74.48
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1	REAL300012491346	1	61	0.0	-86.86	449.78	11.57	-75.29
CC(C)CCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491347	0	63	0.0	-76.91	473.96	11.17	-65.74
CC(C)CCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491347	1	63	0.0	-77.28	473.96	11.18	-66.10
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1	REAL300012491348	0	62	0.0	-61.03	459.10	12.52	-48.51
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1	REAL300012491348	1	62	0.0	-62.65	459.03	12.52	-50.13
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012491349	0	62	0.0	-82.06	451.44	11.69	-70.37
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012491349	1	62	0.0	-81.38	451.44	11.69	-69.69
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C=C1	REAL300012491350	0	59	0.0	-82.75	437.17	10.85	-71.90
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C=C1	REAL300012491350	1	59	0.0	-82.01	437.18	10.86	-71.15
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300012491351	0	62	0.0	-82.19	456.89	11.45	-70.74
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300012491351	1	62	0.0	-82.00	456.89	11.45	-70.55
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCC2)C=C1	REAL300012491352	0	61	0.0	-78.11	449.56	10.70	-67.41
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCC2)C=C1	REAL300012491352	1	61	0.0	-77.71	449.56	10.70	-67.01
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491353	0	58	0.0	-78.22	443.40	8.36	-69.86
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491353	1	58	0.0	-78.47	443.40	8.36	-70.11
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491354	0	58	0.0	-83.30	420.78	10.05	-73.25
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491354	1	58	0.0	-83.33	432.54	10.67	-72.66
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C=C1	REAL300012491355	0	61	0.0	-63.88	445.98	11.45	-52.43
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C=C1	REAL300012491355	1	61	0.0	-63.65	446.02	11.45	-52.20
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1	REAL300012491356	0	55	0.0	-83.18	423.40	11.02	-72.16
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1	REAL300012491356	1	55	0.0	-83.01	423.34	11.02	-71.99
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012491357	0	62	0.0	-88.46	444.60	11.90	-76.56
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012491357	1	62	0.0	-87.15	444.63	11.91	-75.24
COCCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491358	0	61	0.0	-76.36	468.57	8.95	-67.41
COCCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491358	1	61	0.0	-76.71	468.57	8.96	-67.75
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491359	0	60	0.0	-72.50	445.28	12.04	-60.46
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491359	1	60	0.0	-71.94	446.51	12.09	-59.85
CCOCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491360	0	58	0.0	-78.58	446.62	8.32	-70.26
CCOCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300012491360	1	58	0.0	-79.00	447.11	8.33	-70.67
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300012491361	0	63	0.0	-77.07	463.99	11.58	-65.49
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300012491361	1	63	0.0	-76.83	463.99	11.58	-65.25
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C=C1	REAL300012491362	0	59	0.0	-86.73	428.10	10.29	-76.44
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C=C1	REAL300012491362	1	59	0.0	-86.75	428.06	10.30	-76.45
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300012491363	0	55	0.0	-76.75	433.42	9.63	-67.12
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300012491363	1	55	0.0	-76.19	434.02	9.68	-66.51
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C=C1	REAL300012491364	0	58	0.0	-64.38	452.00	12.08	-52.30
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C=C1	REAL300012491364	1	58	0.0	-63.98	451.99	12.08	-51.90
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300012491365	0	54	0.0	-71.27	404.42	10.19	-61.08
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300012491365	1	54	0.0	-71.36	404.42	10.19	-61.17
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491366	0	60	0.0	-71.25	442.96	10.53	-60.72
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491366	1	60	0.0	-68.39	445.81	10.70	-57.69
C=CCOCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491367	0	59	0.0	-59.26	453.64	9.19	-50.07
C=CCOCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491367	1	59	0.0	-59.18	450.26	9.75	-49.43
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491368	0	58	0.0	-67.71	428.03	10.75	-56.96
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491368	1	58	0.0	-56.28	431.90	10.20	-46.08
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCCCC2C)C(C(=O)[O-])C1	REAL300012491369	0	61	0.0	-73.36	434.41	13.78	-59.58
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@H+]2CCCCC2C)C(C(=O)[O-])C1	REAL300012491369	1	61	0.0	-68.39	430.83	12.57	-55.82
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491370	0	57	0.0	-56.03	421.22	12.47	-43.56
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491370	1	57	0.0	-56.98	426.59	11.93	-45.05
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C1CCC1	REAL300012491371	0	61	0.0	-76.38	437.59	12.46	-63.92
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C1CCC1	REAL300012491371	1	61	0.0	-56.35	432.57	12.01	-44.34
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(CC)C(=O)[O-]	REAL300012491372	0	63	0.0	-56.60	448.01	13.43	-43.17
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(CC)C(=O)[O-]	REAL300012491372	1	63	0.0	-57.76	453.41	13.45	-44.31
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491373	0	57	0.0	-67.32	416.20	10.23	-57.09
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491373	1	57	0.0	-58.41	419.26	9.68	-48.73
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012491374	0	58	0.0	-68.42	410.00	12.03	-56.39
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012491374	1	58	0.0	-74.48	414.91	12.11	-62.37
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012491375	0	56	0.0	-67.52	409.91	11.97	-55.55
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012491375	1	56	0.0	-74.38	415.84	12.09	-62.29
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012491376	0	61	0.0	-59.36	429.88	11.27	-48.09
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012491376	1	61	0.0	-61.78	431.58	12.09	-49.69
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCCC1C(=O)[O-]	REAL300012491377	0	55	0.0	-63.68	406.62	10.97	-52.71
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCCC1C(=O)[O-]	REAL300012491377	1	55	0.0	-66.16	402.04	11.48	-54.68
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012491378	0	58	0.0	-70.81	414.84	10.13	-60.68
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012491378	1	58	0.0	-61.97	416.98	11.04	-50.93
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC(=O)[O-]	REAL300012491379	0	48	0.0	-54.14	364.54	7.51	-46.63
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC(=O)[O-]	REAL300012491379	1	48	0.0	-52.57	360.89	8.07	-44.50
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012491380	0	58	0.0	-58.78	436.54	11.13	-47.65
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012491380	1	58	0.0	-59.70	439.66	12.03	-47.67
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012491381	0	58	0.0	-58.78	436.55	11.12	-47.66
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012491381	1	58	0.0	-65.79	439.05	12.02	-53.77
CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491382	0	54	0.0	-58.12	403.52	9.96	-48.16
CCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491382	1	54	0.0	-58.33	407.16	9.36	-48.97
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491383	0	57	0.0	-67.32	416.20	10.23	-57.09
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491383	1	57	0.0	-58.41	419.26	9.68	-48.73
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N(C)CC(=O)[O-]	REAL300012491384	0	51	0.0	-65.47	376.50	9.88	-55.59
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N(C)CC(=O)[O-]	REAL300012491384	1	51	0.0	-58.67	377.88	10.71	-47.96
CC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491385	0	51	0.0	-51.69	381.54	8.89	-42.80
CC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491385	1	51	0.0	-52.70	378.85	8.00	-44.70
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491386	0	60	0.0	-57.35	433.85	11.00	-46.35
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491386	1	60	0.0	-68.55	438.39	10.32	-58.23
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N(C)CC(=O)[O-]	REAL300012491387	0	51	0.0	-65.47	376.50	9.88	-55.59
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N(C)CC(=O)[O-]	REAL300012491387	1	51	0.0	-58.67	377.88	10.71	-47.96
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012491388	0	58	0.0	-68.42	410.00	12.03	-56.39
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012491388	1	58	0.0	-74.48	414.91	12.11	-62.37
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491389	0	60	0.0	-58.19	427.71	11.01	-47.18
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491389	1	60	0.0	-56.03	426.02	10.18	-45.85
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491390	0	57	0.0	-58.69	415.31	11.33	-47.36
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491390	1	57	0.0	-41.80	408.58	11.14	-30.66
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012491391	0	55	0.0	-67.69	399.30	11.16	-56.53
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012491391	1	55	0.0	-61.06	408.79	11.37	-49.69
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491392	0	55	0.0	-41.05	407.89	11.25	-29.80
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491392	1	55	0.0	-55.66	412.50	12.28	-43.38
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491393	0	60	0.0	-56.24	433.71	12.89	-43.35
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491393	1	60	0.0	-40.39	435.19	11.96	-28.43
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(C)(C)C(=O)[O-]	REAL300012491394	0	54	0.0	-52.90	391.12	8.43	-44.47
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(C)(C)C(=O)[O-]	REAL300012491394	1	54	0.0	-51.95	394.30	9.30	-42.65
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012491395	0	58	0.0	-67.00	414.00	10.19	-56.81
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012491395	1	58	0.0	-59.55	415.71	11.00	-48.55
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012491396	0	61	0.0	-59.36	429.88	11.27	-48.09
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012491396	1	61	0.0	-61.78	431.58	12.09	-49.69
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491397	0	57	0.0	-58.69	415.31	11.33	-47.36
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491397	1	57	0.0	-41.80	408.58	11.14	-30.66
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491398	0	57	0.0	-56.03	421.22	12.47	-43.56
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491398	1	57	0.0	-56.98	426.59	11.93	-45.05
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491399	0	54	0.0	-61.20	397.58	10.60	-50.60
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491399	1	54	0.0	-66.43	393.09	10.66	-55.77
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491400	0	60	0.0	-67.02	432.97	10.85	-56.17
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491400	1	60	0.0	-66.31	430.01	9.99	-56.32
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012491401	0	58	0.0	-70.81	414.84	10.13	-60.68
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012491401	1	58	0.0	-61.97	416.98	11.04	-50.93
CCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491402	0	57	0.0	-58.02	406.21	10.25	-47.77
CCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491402	1	57	0.0	-56.79	411.29	9.73	-47.06
C[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491403	0	51	0.0	-54.84	381.66	8.93	-45.91
C[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491403	1	51	0.0	-55.72	378.60	8.04	-47.68
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491404	0	54	0.0	-61.20	397.58	10.60	-50.60
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491404	1	54	0.0	-66.43	393.09	10.66	-55.77
C[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491405	0	51	0.0	-51.66	381.54	8.89	-42.77
C[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491405	1	51	0.0	-52.72	378.85	8.00	-44.72
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC1	REAL300012491406	0	52	0.0	-64.40	391.41	9.57	-54.83
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC1	REAL300012491406	1	52	0.0	-64.63	387.59	10.15	-54.48
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012491407	0	56	0.0	-66.28	401.62	9.57	-56.71
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012491407	1	56	0.0	-72.87	407.00	9.64	-63.23
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012491408	0	55	0.0	-66.73	410.13	9.60	-57.13
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012491408	1	55	0.0	-58.83	410.02	10.46	-48.37
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491409	0	58	0.0	-56.36	431.01	10.89	-45.47
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491409	1	58	0.0	-41.96	421.49	10.81	-31.15
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012491410	0	55	0.0	-63.77	406.69	10.94	-52.83
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012491410	1	55	0.0	-61.18	395.51	11.23	-49.95
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012491411	0	58	0.0	-70.06	416.70	12.29	-57.77
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012491411	1	58	0.0	-75.57	415.25	12.04	-63.53
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491412	0	54	0.0	-56.31	392.30	10.86	-45.45
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491412	1	54	0.0	-54.44	390.94	10.01	-44.43
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012491413	0	55	0.0	-73.35	405.85	11.27	-62.08
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012491413	1	55	0.0	-72.31	393.56	11.63	-60.68
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC1	REAL300012491414	0	55	0.0	-61.31	401.50	9.77	-51.54
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC1	REAL300012491414	1	55	0.0	-63.25	403.59	10.63	-52.62
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491415	0	55	0.0	-57.93	420.43	9.82	-48.11
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491415	1	55	0.0	-56.81	417.06	10.48	-46.33
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012491416	0	58	0.0	-61.32	416.24	11.51	-49.81
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012491416	1	58	0.0	-63.46	416.61	12.31	-51.15
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012491417	0	61	0.0	-70.54	425.15	12.83	-57.71
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012491417	1	61	0.0	-79.25	429.83	12.68	-66.57
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012491418	0	55	0.0	-66.73	410.13	9.60	-57.13
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012491418	1	55	0.0	-58.83	410.02	10.46	-48.37
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491419	0	54	0.0	-63.46	391.88	10.97	-52.49
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491419	1	54	0.0	-54.37	390.34	10.05	-44.32
CCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491420	0	60	0.0	-57.14	446.78	11.57	-45.57
CCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491420	1	60	0.0	-58.13	450.15	10.91	-47.22
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012491421	0	58	0.0	-74.05	422.93	11.82	-62.23
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012491421	1	58	0.0	-72.84	412.03	12.11	-60.73
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012491422	0	61	0.0	-56.89	441.38	12.76	-44.13
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012491422	1	61	0.0	-55.73	436.07	13.29	-42.44
COCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491423	0	55	0.0	-58.22	415.74	8.25	-49.97
COCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491423	1	55	0.0	-58.83	418.88	7.64	-51.19
CCCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491424	0	63	0.0	-57.86	468.14	12.30	-45.56
CCCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491424	1	63	0.0	-57.36	471.41	11.74	-45.62
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012491425	0	61	0.0	-73.73	425.96	11.90	-61.83
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012491425	1	61	0.0	-76.94	427.83	12.68	-64.26
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C1CC1	REAL300012491426	0	58	0.0	-60.28	422.20	11.41	-48.87
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C1CC1	REAL300012491426	1	58	0.0	-66.17	414.32	11.71	-54.46
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C1CC1	REAL300012491427	0	61	0.0	-58.07	433.05	12.24	-45.83
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C1CC1	REAL300012491427	1	61	0.0	-54.35	428.89	12.12	-42.23
COCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491428	0	58	0.0	-71.42	425.80	9.59	-61.83
COCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491428	1	58	0.0	-61.20	429.54	9.02	-52.18
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491429	0	61	0.0	-57.20	444.71	11.30	-45.90
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491429	1	61	0.0	-57.08	450.15	10.77	-46.31
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491430	0	60	0.0	-56.24	433.71	12.89	-43.35
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491430	1	60	0.0	-40.39	435.19	11.96	-28.43
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012491431	0	55	0.0	-67.69	399.30	11.16	-56.53
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012491431	1	55	0.0	-61.06	408.79	11.37	-49.69
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012491432	0	56	0.0	-56.85	406.11	7.58	-49.27
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012491432	1	56	0.0	-58.79	407.63	8.44	-50.35
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012491433	0	59	0.0	-70.15	421.34	8.77	-61.38
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012491433	1	59	0.0	-73.04	420.70	9.52	-63.52
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491434	0	58	0.0	-57.17	441.22	10.74	-46.43
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491434	1	58	0.0	-56.88	438.09	11.35	-45.53
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(CF)C(=O)[O-]	REAL300012491435	0	51	0.0	-51.54	389.26	8.33	-43.21
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(CF)C(=O)[O-]	REAL300012491435	1	51	0.0	-49.64	385.31	8.91	-40.73
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491436	0	54	0.0	-63.46	391.88	10.97	-52.49
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491436	1	54	0.0	-54.37	390.34	10.05	-44.32
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491437	0	60	0.0	-58.97	422.59	11.14	-47.83
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491437	1	60	0.0	-56.73	420.88	10.32	-46.41
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491438	0	60	0.0	-55.84	427.99	12.94	-42.90
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491438	1	60	0.0	-39.61	432.20	12.27	-27.34
CCC(COC)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491439	0	61	0.0	-63.56	440.89	10.45	-53.11
CCC(COC)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491439	1	61	0.0	-61.19	439.18	9.63	-51.56
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012491440	0	58	0.0	-66.68	432.49	10.49	-56.19
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012491440	1	58	0.0	-58.03	435.77	11.40	-46.63
COCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491441	0	58	0.0	-57.20	437.45	9.09	-48.11
COCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491441	1	58	0.0	-56.48	433.80	8.18	-48.30
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491442	0	63	0.0	-57.41	451.78	13.36	-44.05
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491442	1	63	0.0	-56.32	457.88	12.92	-43.40
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012491443	0	54	0.0	-54.20	417.78	9.89	-44.31
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012491443	1	54	0.0	-57.95	415.99	10.26	-47.69
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300012491444	0	60	0.0	-36.71	432.52	12.44	-24.27
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300012491444	1	60	0.0	-33.15	424.70	12.48	-20.67
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012491445	0	54	0.0	-55.86	406.96	9.20	-46.66
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012491445	1	54	0.0	-55.94	410.37	10.17	-45.77
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012491446	0	57	0.0	-53.98	417.89	9.87	-44.11
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012491446	1	57	0.0	-55.20	412.79	10.39	-44.81
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012491447	0	55	0.0	-58.27	419.61	11.11	-47.16
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012491447	1	55	0.0	-56.54	409.55	11.33	-45.21
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491448	0	54	0.0	-63.48	391.74	10.91	-52.57
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491448	1	54	0.0	-62.67	390.46	10.13	-52.54
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012491449	0	56	0.0	-75.13	413.71	11.90	-63.23
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012491449	1	56	0.0	-77.13	409.67	12.48	-64.65
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012491450	0	60	0.0	-67.91	431.17	10.17	-57.74
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012491450	1	60	0.0	-69.61	432.71	10.96	-58.65
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491451	0	55	0.0	-54.93	435.63	10.48	-44.45
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491451	1	55	0.0	-53.33	432.25	11.15	-42.18
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491452	0	58	0.0	-58.58	438.73	10.66	-47.92
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491452	1	58	0.0	-57.75	436.92	11.34	-46.41
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012491453	0	59	0.0	-73.76	421.14	12.41	-61.35
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012491453	1	59	0.0	-83.56	423.46	12.85	-70.71
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012491454	0	55	0.0	-65.57	418.93	11.42	-54.15
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012491454	1	55	0.0	-64.63	406.29	11.87	-52.76
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012491455	0	55	0.0	-71.78	412.34	11.36	-60.42
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012491455	1	55	0.0	-71.30	401.73	11.79	-59.51
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+]2CCCCC2C)C1	REAL300012491456	0	56	0.0	-71.82	413.31	11.02	-60.80
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCCCC2C)C1	REAL300012491456	1	56	0.0	-72.37	410.66	11.61	-60.76
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491457	0	60	0.0	-71.25	442.96	10.53	-60.72
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491457	1	60	0.0	-68.39	445.81	10.70	-57.69
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012491458	0	58	0.0	-58.78	436.55	11.12	-47.66
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012491458	1	58	0.0	-65.79	439.05	12.02	-53.77
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012491459	0	58	0.0	-66.68	432.49	10.49	-56.19
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012491459	1	58	0.0	-58.03	435.77	11.40	-46.63
CSCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491460	0	55	0.0	-55.32	427.48	10.38	-44.94
CSCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491460	1	55	0.0	-56.58	430.86	9.71	-46.87
COC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491461	0	55	0.0	-68.07	414.89	8.15	-59.92
COC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491461	1	55	0.0	-68.01	412.28	7.30	-60.71
CC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491462	0	54	0.0	-67.02	400.33	9.78	-57.24
CC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491462	1	54	0.0	-66.50	400.37	9.05	-57.45
CCC(C)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491463	0	63	0.0	-58.08	460.58	11.93	-46.15
CCC(C)CC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491463	1	63	0.0	-58.37	464.09	11.32	-47.05
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491464	0	61	0.0	-58.27	462.97	11.47	-46.80
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491464	1	61	0.0	-58.00	459.46	12.08	-45.92
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012491465	0	56	0.0	-67.52	409.91	11.97	-55.55
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012491465	1	56	0.0	-74.38	415.84	12.09	-62.29
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012491466	0	55	0.0	-63.77	406.69	10.94	-52.83
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012491466	1	55	0.0	-61.18	395.51	11.23	-49.95
CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491467	0	57	0.0	-57.17	425.28	10.79	-46.38
CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491467	1	57	0.0	-57.46	428.41	10.18	-47.28
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491468	0	57	0.0	-56.61	419.15	10.57	-46.04
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491468	1	57	0.0	-56.13	411.81	9.46	-46.67
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012491469	0	59	0.0	-74.76	420.83	12.50	-62.26
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012491469	1	59	0.0	-76.31	417.76	13.18	-63.13
CCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(C)(C)C(=O)[O-]	REAL300012491470	0	60	0.0	-73.75	426.74	12.66	-61.09
CCN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(C)(C)C(=O)[O-]	REAL300012491470	1	60	0.0	-58.86	425.05	11.81	-47.05
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300012491471	0	60	0.0	-36.71	432.52	12.44	-24.27
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300012491471	1	60	0.0	-33.15	424.70	12.48	-20.67
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300012491472	0	57	0.0	-69.45	405.50	10.98	-58.47
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300012491472	1	57	0.0	-72.73	407.63	11.82	-60.91
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012491473	0	55	0.0	-73.35	405.85	11.27	-62.08
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012491473	1	55	0.0	-72.31	393.56	11.63	-60.68
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012491474	0	56	0.0	-63.71	411.12	7.27	-56.44
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012491474	1	56	0.0	-65.29	406.13	7.76	-57.53
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491475	0	57	0.0	-58.04	425.02	10.72	-47.32
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491475	1	57	0.0	-56.31	421.68	9.88	-46.43
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012491476	0	58	0.0	-58.78	436.54	11.13	-47.65
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012491476	1	58	0.0	-59.70	439.66	12.03	-47.67
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491477	0	58	0.0	-57.17	441.22	10.74	-46.43
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491477	1	58	0.0	-56.88	438.09	11.35	-45.53
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012491478	0	58	0.0	-61.34	416.22	11.52	-49.82
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012491478	1	58	0.0	-60.26	411.46	12.14	-48.12
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491479	0	57	0.0	-69.87	420.24	10.47	-59.40
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491479	1	57	0.0	-67.12	417.41	9.64	-57.48
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012491480	0	58	0.0	-66.33	436.56	11.12	-55.21
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012491480	1	58	0.0	-65.79	439.05	12.02	-53.77
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491481	0	54	0.0	-63.48	391.74	10.91	-52.57
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491481	1	54	0.0	-62.67	390.46	10.13	-52.54
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491482	0	57	0.0	-66.45	421.87	10.59	-55.86
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491482	1	57	0.0	-66.54	421.88	9.82	-56.72
CCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300012491483	0	57	0.0	-56.46	408.95	11.64	-44.82
CCN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300012491483	1	57	0.0	-67.88	411.15	11.58	-56.30
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012491484	0	61	0.0	-56.89	441.38	12.76	-44.13
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012491484	1	61	0.0	-55.73	436.07	13.29	-42.44
CC(CN(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491485	0	57	0.0	-69.01	411.05	11.53	-57.48
CC(CN(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491485	1	57	0.0	-67.21	411.84	10.79	-56.42
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491486	0	60	0.0	-67.02	432.97	10.85	-56.17
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491486	1	60	0.0	-66.31	430.01	9.99	-56.32
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491487	0	57	0.0	-65.11	409.59	11.78	-53.33
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491487	1	57	0.0	-64.13	410.79	11.05	-53.08
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012491488	0	59	0.0	-75.25	431.89	6.95	-68.30
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012491488	1	59	0.0	-65.31	437.36	7.94	-57.37
CC1CCC(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012491489	0	61	0.0	-73.44	437.69	11.58	-61.86
CC1CCC(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012491489	1	61	0.0	-59.51	436.41	10.74	-48.77
COCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491490	0	58	0.0	-57.20	437.45	9.09	-48.11
COCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491490	1	58	0.0	-56.48	433.80	8.18	-48.30
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012491491	0	61	0.0	-71.22	437.74	11.45	-59.77
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012491491	1	61	0.0	-76.96	442.92	11.44	-65.52
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012491492	0	58	0.0	-66.93	425.98	10.22	-56.71
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012491492	1	58	0.0	-69.34	429.83	10.94	-58.40
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012491493	0	56	0.0	-68.31	416.60	7.74	-60.57
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012491493	1	56	0.0	-66.89	406.39	8.04	-58.85
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012491494	0	59	0.0	-56.96	433.93	8.30	-48.66
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012491494	1	59	0.0	-69.19	429.90	8.93	-60.26
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012491495	0	59	0.0	-75.81	421.17	12.07	-63.74
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012491495	1	59	0.0	-78.40	422.56	12.92	-65.48
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012491496	0	57	0.0	-67.95	413.44	9.84	-58.11
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012491496	1	57	0.0	-72.68	415.92	10.68	-62.00
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCCCC2C)C1	REAL300012491497	0	61	0.0	-76.11	428.67	12.73	-63.38
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+]2CCCCC2C)C1	REAL300012491497	1	61	0.0	-68.82	426.20	12.89	-55.93
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012491498	0	58	0.0	-57.77	426.89	10.31	-47.46
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012491498	1	58	0.0	-57.26	423.71	10.93	-46.33
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012491499	0	58	0.0	-57.77	426.89	10.31	-47.46
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012491499	1	58	0.0	-57.26	423.71	10.93	-46.33
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCCCC2C)C1C(=O)[O-]	REAL300012491500	0	58	0.0	-65.37	420.97	12.03	-53.34
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@H+]2CCCCC2C)C1C(=O)[O-]	REAL300012491500	1	58	0.0	-71.51	412.85	11.51	-60.00
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491501	0	55	0.0	-57.93	420.43	9.82	-48.11
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491501	1	55	0.0	-56.81	417.06	10.48	-46.33
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012491502	0	59	0.0	-37.89	419.91	11.92	-25.97
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012491502	1	59	0.0	-38.84	417.77	11.60	-27.24
COC1CC(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012491503	0	59	0.0	-61.02	436.65	9.53	-51.49
COC1CC(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012491503	1	59	0.0	-65.89	433.10	8.64	-57.25
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012491504	0	55	0.0	-59.78	409.92	9.80	-49.98
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012491504	1	55	0.0	-61.87	412.13	10.68	-51.19
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012491505	0	59	0.0	-69.23	426.34	9.58	-59.65
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC=C2C[N@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012491505	1	59	0.0	-67.50	433.43	9.03	-58.47
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491506	0	61	0.0	-75.48	432.89	13.03	-62.45
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491506	1	61	0.0	-74.84	432.34	12.77	-62.07
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])COC1	REAL300012491507	0	53	0.0	-56.28	392.29	6.81	-49.47
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])COC1	REAL300012491507	1	53	0.0	-57.90	394.45	7.68	-50.22
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491508	0	60	0.0	-58.28	420.92	10.89	-47.39
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491508	1	60	0.0	-67.09	421.25	10.11	-56.98
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012491509	0	56	0.0	-69.45	406.71	12.12	-57.33
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012491509	1	56	0.0	-76.92	404.52	11.80	-65.12
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012491510	0	59	0.0	-64.65	429.13	12.02	-52.63
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012491510	1	59	0.0	-62.42	417.81	12.32	-50.10
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491511	0	60	0.0	-56.47	426.50	12.70	-43.77
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491511	1	60	0.0	-55.33	425.54	11.90	-43.43
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012491512	0	55	0.0	-71.78	412.34	11.36	-60.42
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012491512	1	55	0.0	-71.30	401.73	11.79	-59.51
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012491513	0	57	0.0	-37.66	412.80	11.78	-25.88
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012491513	1	57	0.0	-54.04	415.84	12.53	-41.51
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012491514	0	61	0.0	-72.73	431.55	11.93	-60.80
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012491514	1	61	0.0	-76.77	433.81	12.77	-64.00
CC(C)CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491515	0	63	0.0	-57.97	464.21	12.03	-45.94
CC(C)CCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491515	1	63	0.0	-57.54	467.48	11.48	-46.06
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012491516	0	62	0.0	-54.13	446.94	12.40	-41.73
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012491516	1	62	0.0	-38.49	445.94	12.27	-26.22
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012491517	0	62	0.0	-61.05	435.29	11.99	-49.06
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012491517	1	62	0.0	-63.48	436.95	12.81	-50.67
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012491518	0	59	0.0	-59.68	424.15	10.80	-48.88
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012491518	1	59	0.0	-61.57	425.77	11.63	-49.94
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012491519	0	62	0.0	-61.83	449.99	11.63	-50.20
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012491519	1	62	0.0	-61.68	446.13	12.27	-49.41
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012491520	0	61	0.0	-56.49	436.55	10.62	-45.87
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012491520	1	61	0.0	-69.68	444.32	11.61	-58.07
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491521	0	58	0.0	-67.77	431.04	8.96	-58.81
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491521	1	58	0.0	-67.99	430.23	8.36	-59.63
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491522	0	58	0.0	-69.37	411.72	10.91	-58.46
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491522	1	58	0.0	-67.67	414.51	10.30	-57.37
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012491523	0	61	0.0	-37.37	436.91	11.71	-25.66
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012491523	1	61	0.0	-54.35	439.28	12.45	-41.90
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012491524	0	55	0.0	-63.67	410.31	10.96	-52.71
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012491524	1	55	0.0	-65.78	412.91	11.54	-54.24
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012491525	0	62	0.0	-65.22	443.93	12.43	-52.79
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012491525	1	62	0.0	-66.91	438.18	12.98	-53.93
COCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491526	0	61	0.0	-56.99	458.95	9.86	-47.13
COCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491526	1	61	0.0	-58.20	462.33	9.20	-49.00
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491527	0	60	0.0	-56.02	434.69	12.80	-43.22
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491527	1	60	0.0	-55.18	432.29	11.83	-43.35
CCOCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012491528	0	58	0.0	-58.46	437.60	9.23	-49.23
CCOCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012491528	1	58	0.0	-59.70	440.87	8.58	-51.12
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012491529	0	63	0.0	-57.23	451.21	11.45	-45.78
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012491529	1	63	0.0	-57.85	454.21	12.37	-45.48
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012491530	0	59	0.0	-72.05	425.55	11.44	-60.61
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012491530	1	59	0.0	-69.32	421.81	10.54	-58.78
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012491531	0	55	0.0	-58.56	427.77	9.92	-48.64
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012491531	1	55	0.0	-68.30	421.63	10.28	-58.02
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012491532	0	58	0.0	-42.92	438.96	12.02	-30.90
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012491532	1	58	0.0	-56.18	440.38	12.86	-43.32
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300012491533	0	54	0.0	-56.31	392.30	10.86	-45.45
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300012491533	1	54	0.0	-54.44	390.94	10.01	-44.43
CC(C)C[C@H](NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491534	0	59	0.0	-79.63	452.22	7.61	-72.02
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491534	1	59	0.0	-80.31	451.95	7.39	-72.92
C=CCOCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491535	0	58	0.0	-81.11	460.40	6.00	-75.11
C=CCOCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491535	1	58	0.0	-82.39	459.73	5.91	-76.48
C=CC(C)C(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491536	0	57	0.0	-78.80	439.13	6.90	-71.90
C=CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491536	1	57	0.0	-77.96	442.08	7.17	-70.79
CC1CCN(C(=O)NCC2=CC=C(CN3CC[NH+](C)CC3)C=C2)C(C(=O)[O-])C1	REAL300012491537	0	60	0.0	-89.36	437.54	9.54	-79.82
CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C(C(=O)[O-])C1	REAL300012491537	1	60	0.0	-91.44	437.01	9.41	-82.03
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491538	0	56	0.0	-69.85	433.21	8.78	-61.07
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491538	1	56	0.0	-67.04	432.68	8.65	-58.39
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1CCC1	REAL300012491539	0	60	0.0	-68.19	445.67	9.06	-59.13
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C1CCC1	REAL300012491539	1	60	0.0	-67.61	445.27	9.04	-58.57
CCCN(C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(CC)C(=O)[O-]	REAL300012491540	0	62	0.0	-74.71	458.60	9.47	-65.24
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(CC)C(=O)[O-]	REAL300012491540	1	62	0.0	-76.09	459.46	9.62	-66.47
CC(C)C(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491541	0	56	0.0	-79.49	429.94	6.62	-72.87
CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491541	1	56	0.0	-79.52	428.37	6.69	-72.83
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300012491542	0	57	0.0	-89.02	422.99	9.23	-79.79
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300012491542	1	57	0.0	-92.19	423.34	9.27	-82.92
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=C2)CC1	REAL300012491543	0	55	0.0	-85.64	423.69	9.24	-76.40
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=C2)CC1	REAL300012491543	1	55	0.0	-88.11	423.16	9.12	-78.99
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=C2)CC1	REAL300012491544	0	60	0.0	-83.27	443.30	8.42	-74.85
CN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=C2)CC1	REAL300012491544	1	60	0.0	-85.15	442.77	8.28	-76.87
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=C2)CC1	REAL300012491545	0	54	0.0	-84.09	411.65	7.95	-76.14
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=C2)CC1	REAL300012491545	1	54	0.0	-87.17	412.00	8.00	-79.17
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012491546	0	57	0.0	-84.92	428.20	7.28	-77.64
CN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012491546	1	57	0.0	-85.52	427.68	7.15	-78.37
C[NH+]1CCN(CC2=CC=C(CNC(=O)NCC(=O)[O-])C=C2)CC1	REAL300012491547	0	47	0.0	-67.69	371.16	4.35	-63.34
CN1CC[NH+](CC2=CC=C(CNC(=O)NCC(=O)[O-])C=C2)CC1	REAL300012491547	1	47	0.0	-68.14	370.63	4.22	-63.92
C[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491548	0	57	0.0	-81.77	449.72	8.36	-73.41
CN1CC[NH+](CC2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491548	1	57	0.0	-81.76	449.19	8.23	-73.53
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491549	0	57	0.0	-81.29	449.31	8.30	-72.99
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491549	1	57	0.0	-82.11	449.40	8.15	-73.96
CCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491550	0	53	0.0	-78.45	413.78	6.20	-72.25
CCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491550	1	53	0.0	-79.64	413.01	6.14	-73.50
CC(C)C(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491551	0	56	0.0	-79.49	429.94	6.62	-72.87
CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491551	1	56	0.0	-79.52	428.37	6.69	-72.83
CN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491552	0	50	0.0	-77.50	389.90	7.04	-70.46
CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491552	1	50	0.0	-79.27	389.37	6.92	-72.35
CC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491553	0	50	0.0	-68.44	391.38	4.98	-63.46
CC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491553	1	50	0.0	-68.75	391.25	5.08	-63.67
CCC(C)C(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491554	0	59	0.0	-78.80	447.88	7.24	-71.56
CCC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491554	1	59	0.0	-79.29	445.45	7.24	-72.05
CN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491555	0	50	0.0	-77.50	389.90	7.04	-70.46
CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491555	1	50	0.0	-79.27	389.37	6.92	-72.35
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300012491556	0	57	0.0	-89.02	422.99	9.23	-79.79
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300012491556	1	57	0.0	-92.19	423.34	9.27	-82.92
CCCC(C)(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491557	0	59	0.0	-80.23	438.53	7.16	-73.07
CCCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491557	1	59	0.0	-81.54	438.88	7.21	-74.33
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491558	0	56	0.0	-67.89	420.95	8.13	-59.76
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491558	1	56	0.0	-67.78	421.30	8.17	-59.61
C[NH+]1CCN(CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300012491559	0	54	0.0	-68.08	414.09	8.38	-59.70
CN1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300012491559	1	54	0.0	-64.40	414.72	8.44	-55.96
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491560	0	54	0.0	-69.69	424.52	8.58	-61.11
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491560	1	54	0.0	-66.86	423.99	8.46	-58.40
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491561	0	59	0.0	-70.01	447.86	9.30	-60.71
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491561	1	59	0.0	-67.08	447.34	9.17	-57.91
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C2)CC1	REAL300012491562	0	53	0.0	-66.21	403.64	5.41	-60.80
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C2)CC1	REAL300012491562	1	53	0.0	-66.96	404.00	5.46	-61.50
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012491563	0	57	0.0	-81.31	427.42	7.32	-73.99
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012491563	1	57	0.0	-82.96	426.89	7.20	-75.76
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=C2)CC1	REAL300012491564	0	60	0.0	-83.27	443.30	8.42	-74.85
CN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=C2)CC1	REAL300012491564	1	60	0.0	-85.15	442.77	8.28	-76.87
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491565	0	56	0.0	-67.89	420.95	8.13	-59.76
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491565	1	56	0.0	-67.78	421.30	8.17	-59.61
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491566	0	56	0.0	-69.85	433.21	8.78	-61.07
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491566	1	56	0.0	-67.04	432.68	8.65	-58.39
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491567	0	53	0.0	-77.65	411.71	8.02	-69.63
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491567	1	53	0.0	-79.52	411.18	7.91	-71.61
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491568	0	59	0.0	-79.55	445.02	7.16	-72.39
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491568	1	59	0.0	-80.09	442.83	7.01	-73.08
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012491569	0	57	0.0	-84.92	428.20	7.28	-77.64
CN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012491569	1	57	0.0	-85.52	427.68	7.15	-78.37
CCC(C)(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491570	0	56	0.0	-79.77	417.04	6.40	-73.37
CCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491570	1	56	0.0	-81.04	417.39	6.45	-74.59
C[C@H](NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491571	0	50	0.0	-66.24	391.95	5.18	-61.06
C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491571	1	50	0.0	-68.80	391.26	5.08	-63.72
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491572	0	53	0.0	-77.65	411.71	8.02	-69.63
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491572	1	53	0.0	-79.52	411.18	7.91	-71.61
C[C@@H](NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491573	0	50	0.0	-68.44	391.38	4.98	-63.46
C[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491573	1	50	0.0	-68.92	391.42	5.06	-63.86
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=C2)CC1	REAL300012491574	0	51	0.0	-85.55	398.11	6.40	-79.15
CN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=C2)CC1	REAL300012491574	1	51	0.0	-86.73	397.58	6.27	-80.46
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=C2)CC1	REAL300012491575	0	55	0.0	-84.98	414.15	6.55	-78.43
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=C2)CC1	REAL300012491575	1	55	0.0	-87.97	414.51	6.60	-81.37
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012491576	0	54	0.0	-80.64	418.01	6.68	-73.96
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012491576	1	54	0.0	-80.65	423.00	6.63	-74.02
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491577	0	57	0.0	-70.56	443.09	7.21	-63.35
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491577	1	57	0.0	-67.55	442.56	7.08	-60.47
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491578	0	54	0.0	-85.42	413.29	7.81	-77.61
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491578	1	54	0.0	-87.64	412.77	7.68	-79.96
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491579	0	57	0.0	-88.92	423.40	9.14	-79.78
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491579	1	57	0.0	-90.94	422.88	9.02	-81.92
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491580	0	53	0.0	-73.36	404.30	7.17	-66.19
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491580	1	53	0.0	-74.68	404.28	7.15	-67.53
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491581	0	54	0.0	-86.08	412.56	8.11	-77.97
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491581	1	54	0.0	-87.12	412.01	7.99	-79.13
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300012491582	0	54	0.0	-85.04	414.90	6.91	-78.13
CN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300012491582	1	54	0.0	-85.94	414.37	6.79	-79.15
C=CCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491583	0	54	0.0	-78.16	425.94	6.55	-71.61
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491583	1	54	0.0	-79.24	426.29	6.60	-72.64
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=C2)CC1	REAL300012491584	0	57	0.0	-86.21	429.62	8.67	-77.54
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=C2)CC1	REAL300012491584	1	57	0.0	-87.17	429.09	8.55	-78.62
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCCCCC3C(=O)[O-])C=C2)CC1	REAL300012491585	0	60	0.0	-87.53	438.58	9.98	-77.55
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCCCCC3C(=O)[O-])C=C2)CC1	REAL300012491585	1	60	0.0	-88.90	438.04	9.85	-79.05
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012491586	0	54	0.0	-80.64	418.01	6.68	-73.96
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012491586	1	54	0.0	-80.65	423.00	6.63	-74.02
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491587	0	53	0.0	-74.48	403.73	7.21	-67.27
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491587	1	53	0.0	-74.96	403.34	7.15	-67.81
CCCCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491588	0	59	0.0	-78.30	456.78	7.75	-70.55
CCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491588	1	59	0.0	-79.90	456.25	7.62	-72.28
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)CC1	REAL300012491589	0	57	0.0	-86.21	429.66	8.65	-77.56
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)CC1	REAL300012491589	1	57	0.0	-87.13	429.16	8.52	-78.61
C[NH+]1CCN(CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012491590	0	60	0.0	-69.69	448.04	9.59	-60.10
CN1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012491590	1	60	0.0	-66.55	447.53	9.47	-57.08
COCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491591	0	54	0.0	-80.00	425.50	4.49	-75.51
COCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491591	1	54	0.0	-81.48	424.97	4.36	-77.12
CCCCCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491592	0	62	0.0	-78.24	478.28	8.53	-69.71
CCCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491592	1	62	0.0	-79.86	477.75	8.40	-71.46
CN(C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1(C(=O)[O-])CCCC1	REAL300012491593	0	60	0.0	-86.87	439.23	9.02	-77.85
CN(C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C1(C(=O)[O-])CCCC1	REAL300012491593	1	60	0.0	-87.61	438.69	8.88	-78.73
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1CC1	REAL300012491594	0	57	0.0	-67.19	429.26	8.43	-58.76
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C1CC1	REAL300012491594	1	57	0.0	-67.51	429.62	8.48	-59.03
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1CC1	REAL300012491595	0	60	0.0	-67.48	449.91	9.55	-57.93
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C1CC1	REAL300012491595	1	60	0.0	-65.70	450.27	9.58	-56.12
COCC(C)(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491596	0	57	0.0	-82.52	435.28	5.70	-76.82
COCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491596	1	57	0.0	-85.17	435.63	5.74	-79.43
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491597	0	60	0.0	-75.36	455.28	7.35	-68.01
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491597	1	60	0.0	-76.63	456.24	7.49	-69.14
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491598	0	59	0.0	-70.01	447.86	9.30	-60.71
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491598	1	59	0.0	-67.08	447.34	9.17	-57.91
C[NH+]1CCN(CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300012491599	0	54	0.0	-68.08	414.09	8.38	-59.70
CN1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300012491599	1	54	0.0	-64.40	414.72	8.44	-55.96
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300012491600	0	55	0.0	-78.81	419.30	4.72	-74.09
CN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300012491600	1	55	0.0	-80.45	418.90	4.58	-75.87
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOCC3)C=C2)CC1	REAL300012491601	0	58	0.0	-82.94	434.72	5.92	-77.02
CN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOCC3)C=C2)CC1	REAL300012491601	1	58	0.0	-83.76	434.19	5.79	-77.97
C=CCCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491602	0	57	0.0	-78.10	448.09	7.53	-70.57
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491602	1	57	0.0	-79.70	447.56	7.40	-72.30
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C2)CC1	REAL300012491603	0	50	0.0	-66.57	395.57	5.19	-61.38
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C2)CC1	REAL300012491603	1	50	0.0	-67.04	395.04	5.07	-61.97
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491604	0	53	0.0	-74.48	403.73	7.21	-67.27
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491604	1	53	0.0	-74.96	403.34	7.15	-67.81
CCC(CC)(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491605	0	59	0.0	-80.73	434.30	7.47	-73.26
CCC(CC)(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491605	1	59	0.0	-82.44	433.77	7.34	-75.10
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491606	0	59	0.0	-68.94	445.03	9.46	-59.48
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491606	1	59	0.0	-65.51	444.49	9.34	-56.17
CCC(COC)(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491607	0	60	0.0	-85.31	451.72	6.61	-78.70
CCC(COC)(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491607	1	60	0.0	-86.63	452.07	6.65	-79.98
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300012491608	0	57	0.0	-79.40	445.39	7.75	-71.65
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300012491608	1	57	0.0	-79.81	445.13	7.58	-72.23
COCCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491609	0	57	0.0	-77.86	447.21	5.33	-72.53
COCCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491609	1	57	0.0	-79.41	446.68	5.20	-74.21
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491610	0	62	0.0	-74.23	461.73	9.42	-64.81
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491610	1	62	0.0	-76.83	463.42	9.52	-67.31
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C2)CC1	REAL300012491611	0	53	0.0	-74.16	424.40	6.72	-67.44
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C2)CC1	REAL300012491611	1	53	0.0	-75.23	423.87	6.60	-68.63
CCCN(C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012491612	0	59	0.0	-74.33	442.86	8.74	-65.59
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012491612	1	59	0.0	-82.02	445.80	9.35	-72.67
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C2)CC1	REAL300012491613	0	53	0.0	-76.11	420.13	6.41	-69.70
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C2)CC1	REAL300012491613	1	53	0.0	-77.99	419.84	6.21	-71.78
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C2)CC1	REAL300012491614	0	56	0.0	-76.43	423.62	6.55	-69.88
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C2)CC1	REAL300012491614	1	56	0.0	-77.72	423.98	6.59	-71.13
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491615	0	54	0.0	-78.35	427.67	7.86	-70.49
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491615	1	54	0.0	-80.41	427.14	7.74	-72.67
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491616	0	53	0.0	-74.26	405.11	7.33	-66.93
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491616	1	53	0.0	-74.75	404.58	7.21	-67.54
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)CC1	REAL300012491617	0	55	0.0	-90.75	419.84	8.75	-82.00
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)CC1	REAL300012491617	1	55	0.0	-92.87	419.31	8.62	-84.25
C[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300012491618	0	59	0.0	-80.33	443.90	7.39	-72.94
CN1CC[NH+](CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300012491618	1	59	0.0	-80.69	443.37	7.27	-73.42
C=C(Cl)CC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491619	0	54	0.0	-75.34	442.26	7.32	-68.02
C=C(Cl)CC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491619	1	54	0.0	-75.95	441.48	7.26	-68.69
C=C(C)CC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491620	0	57	0.0	-78.36	444.29	7.74	-70.62
C=C(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491620	1	57	0.0	-80.11	446.15	7.45	-72.66
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2)CC1	REAL300012491621	0	58	0.0	-93.15	435.12	9.52	-83.63
CN1CC[NH+](CC2=CC=C(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2)CC1	REAL300012491621	1	58	0.0	-95.55	434.59	9.40	-86.15
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491622	0	54	0.0	-78.31	425.50	8.29	-70.02
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491622	1	54	0.0	-79.53	424.96	8.18	-71.35
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491623	0	54	0.0	-83.04	419.03	8.21	-74.83
CN1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491623	1	54	0.0	-83.95	418.13	8.01	-75.94
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(CN3CC[NH+](C)CC3)C=C2)C1	REAL300012491624	0	55	0.0	-86.16	426.77	8.18	-77.98
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C1	REAL300012491624	1	55	0.0	-87.25	426.19	8.10	-79.15
CC(C)C[C@H](NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491625	0	59	0.0	-79.63	452.22	7.61	-72.02
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491625	1	59	0.0	-80.31	451.95	7.39	-72.92
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491626	0	57	0.0	-81.29	449.31	8.30	-72.99
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491626	1	57	0.0	-82.11	449.40	8.15	-73.96
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300012491627	0	57	0.0	-79.40	445.39	7.75	-71.65
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300012491627	1	57	0.0	-79.81	445.13	7.58	-72.23
CSCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491628	0	54	0.0	-76.34	437.24	6.62	-69.72
CSCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491628	1	54	0.0	-77.67	436.71	6.50	-71.17
COC[C@H](NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491629	0	54	0.0	-79.68	425.64	4.45	-75.23
COC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491629	1	54	0.0	-81.23	424.62	4.30	-76.93
CC[C@H](NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491630	0	53	0.0	-77.73	412.95	6.21	-71.52
CC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491630	1	53	0.0	-79.90	413.25	6.08	-73.82
CCC(C)CC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491631	0	62	0.0	-79.27	470.84	8.16	-71.11
CCC(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491631	1	62	0.0	-80.45	470.07	8.10	-72.35
C=CCCCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491632	0	60	0.0	-77.96	469.35	8.37	-69.59
C=CCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491632	1	60	0.0	-79.63	468.82	8.25	-71.38
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=C2)CC1	REAL300012491633	0	55	0.0	-85.64	423.69	9.24	-76.40
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=C2)CC1	REAL300012491633	1	55	0.0	-88.11	423.16	9.12	-78.99
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491634	0	54	0.0	-85.42	413.29	7.81	-77.61
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491634	1	54	0.0	-87.64	412.77	7.68	-79.96
CCCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491635	0	56	0.0	-78.02	435.04	7.03	-70.99
CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491635	1	56	0.0	-79.61	434.51	6.90	-72.71
CC(C)[C@@H](NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491636	0	56	0.0	-80.31	430.82	6.79	-73.52
CC(C)[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491636	1	56	0.0	-80.49	425.36	6.41	-74.08
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C=C2)CC1	REAL300012491637	0	58	0.0	-91.72	433.85	9.68	-82.04
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C=C2)CC1	REAL300012491637	1	58	0.0	-93.92	433.32	9.56	-84.36
CCN(C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012491638	0	59	0.0	-82.71	438.50	8.99	-73.72
CCN(C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012491638	1	59	0.0	-84.84	437.98	8.87	-75.97
CCCN(C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012491639	0	59	0.0	-74.33	442.86	8.74	-65.59
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012491639	1	59	0.0	-82.02	445.80	9.35	-72.67
CN(C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012491640	0	56	0.0	-83.03	418.03	7.95	-75.08
CN(C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012491640	1	56	0.0	-84.66	418.39	7.99	-76.67
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491641	0	54	0.0	-86.08	412.56	8.11	-77.97
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491641	1	54	0.0	-87.12	412.01	7.99	-79.13
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491642	0	55	0.0	-86.44	424.55	4.42	-82.02
CN1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491642	1	55	0.0	-88.96	424.03	4.30	-84.66
CCC[C@@H](NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491643	0	56	0.0	-79.61	435.28	6.97	-72.64
CCC[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491643	1	56	0.0	-79.97	434.75	6.84	-73.13
C[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491644	0	57	0.0	-81.77	449.72	8.36	-73.41
CN1CC[NH+](CC2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491644	1	57	0.0	-81.76	449.19	8.23	-73.53
C=CCCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491645	0	57	0.0	-78.10	448.09	7.53	-70.57
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491645	1	57	0.0	-79.70	447.56	7.40	-72.30
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)CC1	REAL300012491646	0	57	0.0	-85.52	428.73	8.50	-77.02
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)CC1	REAL300012491646	1	57	0.0	-87.19	429.11	8.54	-78.65
CC(C)[C@H](NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491647	0	56	0.0	-80.02	430.82	6.79	-73.23
CC(C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491647	1	56	0.0	-79.39	424.37	6.38	-73.01
C[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491648	0	57	0.0	-79.36	448.43	8.13	-71.23
CN1CC[NH+](CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012491648	1	57	0.0	-81.47	448.78	8.18	-73.29
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491649	0	53	0.0	-74.26	405.11	7.33	-66.93
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491649	1	53	0.0	-74.75	404.58	7.21	-67.54
CCC[C@H](NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491650	0	56	0.0	-78.21	435.28	6.97	-71.24
CCC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491650	1	56	0.0	-79.89	434.75	6.84	-73.05
CCN(C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012491651	0	56	0.0	-80.82	423.82	8.58	-72.24
CCN(C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012491651	1	56	0.0	-82.50	424.16	8.63	-73.87
C[NH+]1CCN(CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012491652	0	60	0.0	-69.69	448.04	9.59	-60.10
CN1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012491652	1	60	0.0	-66.55	447.53	9.47	-57.08
CC(CN(C)C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491653	0	56	0.0	-75.87	424.13	7.68	-68.19
CC(CN(C)C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491653	1	56	0.0	-77.96	424.48	7.58	-70.38
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491654	0	59	0.0	-79.55	445.02	7.16	-72.39
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491654	1	59	0.0	-80.09	442.83	7.01	-73.08
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491655	0	56	0.0	-73.53	423.32	8.03	-65.50
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491655	1	56	0.0	-75.15	424.85	8.28	-66.87
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)C=C2)CC1	REAL300012491656	0	58	0.0	-84.64	446.29	4.03	-80.61
CN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)C=C2)CC1	REAL300012491656	1	58	0.0	-86.33	446.64	4.09	-82.24
CC1CCC(NC(=O)NCC2=CC=C(CN3CC[NH+](C)CC3)C=C2)(C(=O)[O-])C1	REAL300012491657	0	60	0.0	-83.49	449.85	7.94	-75.55
CC1CCC(NC(=O)NCC2=CC=C(C[NH+]3CCN(C)CC3)C=C2)(C(=O)[O-])C1	REAL300012491657	1	60	0.0	-85.37	449.33	7.82	-77.55
COCCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491658	0	57	0.0	-77.86	447.21	5.33	-72.53
COCCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491658	1	57	0.0	-79.41	446.68	5.20	-74.21
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)CC1	REAL300012491659	0	60	0.0	-85.83	451.11	8.61	-77.22
CN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)CC1	REAL300012491659	1	60	0.0	-86.70	450.58	8.49	-78.21
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)CC1	REAL300012491660	0	57	0.0	-81.06	442.59	7.28	-73.78
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)CC1	REAL300012491660	1	57	0.0	-81.45	442.06	7.15	-74.30
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491661	0	55	0.0	-91.86	424.53	4.58	-87.28
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491661	1	55	0.0	-94.08	424.00	4.45	-89.63
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCOC3)C=C2)CC1	REAL300012491662	0	58	0.0	-78.69	440.55	5.24	-73.45
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCOC3)C=C2)CC1	REAL300012491662	1	58	0.0	-80.26	440.03	5.12	-75.14
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=C2)CC1	REAL300012491663	0	58	0.0	-90.29	434.68	9.25	-81.04
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=C2)CC1	REAL300012491663	1	58	0.0	-91.65	434.23	9.12	-82.53
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)C=C2)CC1	REAL300012491664	0	56	0.0	-86.20	427.17	6.94	-79.26
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)C=C2)CC1	REAL300012491664	1	56	0.0	-88.33	426.64	6.82	-81.51
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(CN3CC[NH+](C)CC3)C=C2)C1	REAL300012491665	0	60	0.0	-88.48	443.82	9.82	-78.66
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C1	REAL300012491665	1	60	0.0	-91.74	444.37	9.89	-81.85
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC1	REAL300012491666	0	57	0.0	-79.09	438.65	7.25	-71.84
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC1	REAL300012491666	1	57	0.0	-81.25	440.02	7.12	-74.13
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC1	REAL300012491667	0	57	0.0	-79.09	438.65	7.25	-71.84
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC1	REAL300012491667	1	57	0.0	-81.25	440.02	7.12	-74.13
CC1CCN(C(=O)NCC2=CC=C(CN3CC[NH+](C)CC3)C=C2)C1C(=O)[O-]	REAL300012491668	0	57	0.0	-87.57	433.89	8.42	-79.15
CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C1C(=O)[O-]	REAL300012491668	1	57	0.0	-88.61	433.36	8.30	-80.31
C=CCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491669	0	54	0.0	-78.16	425.94	6.55	-71.61
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491669	1	54	0.0	-79.24	426.29	6.60	-72.64
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491670	0	58	0.0	-70.73	434.43	8.97	-61.76
CN1CC[NH+](CC2=CC=C(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491670	1	58	0.0	-66.86	434.79	9.01	-57.85
COC1CC(NC(=O)NCC2=CC=C(CN3CC[NH+](C)CC3)C=C2)(C(=O)[O-])C1	REAL300012491671	0	58	0.0	-85.87	448.27	5.88	-79.99
COC1CC(NC(=O)NCC2=CC=C(C[NH+]3CCN(C)CC3)C=C2)(C(=O)[O-])C1	REAL300012491671	1	58	0.0	-87.98	447.74	5.74	-82.24
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=C2)CC1	REAL300012491672	0	54	0.0	-81.69	422.45	6.77	-74.92
CN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=C2)CC1	REAL300012491672	1	54	0.0	-83.46	422.81	6.82	-76.64
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(CN3CC[NH+](C)CC3)C=C2)(C(=O)[O-])C1	REAL300012491673	0	58	0.0	-83.60	447.21	6.16	-77.44
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(C[NH+]3CCN(C)CC3)C=C2)(C(=O)[O-])C1	REAL300012491673	1	58	0.0	-84.41	446.46	6.05	-78.36
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491674	0	60	0.0	-90.34	442.93	9.89	-80.45
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491674	1	60	0.0	-88.33	444.90	9.69	-78.64
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=C2)CC1	REAL300012491675	0	52	0.0	-77.60	404.85	3.79	-73.81
CN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=C2)CC1	REAL300012491675	1	52	0.0	-79.31	405.35	3.82	-75.49
CC(C)C(C)(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491676	0	59	0.0	-81.65	434.65	7.28	-74.37
CC(C)C(C)(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491676	1	59	0.0	-82.18	434.12	7.14	-75.04
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491677	0	55	0.0	-89.73	420.21	9.28	-80.45
CN1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491677	1	55	0.0	-91.89	419.69	9.16	-82.73
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491678	0	58	0.0	-87.16	435.74	8.70	-78.46
CN1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012491678	1	58	0.0	-89.21	435.64	8.78	-80.43
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491679	0	59	0.0	-74.18	437.98	8.91	-65.27
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491679	1	59	0.0	-75.82	437.45	8.79	-67.03
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491680	0	54	0.0	-83.04	419.03	8.21	-74.83
CN1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012491680	1	54	0.0	-83.95	418.13	8.01	-75.94
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)CC1	REAL300012491681	0	56	0.0	-70.52	428.62	8.93	-61.59
CN1CC[NH+](CC2=CC=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)CC1	REAL300012491681	1	56	0.0	-66.05	428.10	8.80	-57.25
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])C=C2)CC1	REAL300012491682	0	60	0.0	-85.46	443.98	8.90	-76.56
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])C=C2)CC1	REAL300012491682	1	60	0.0	-88.65	444.34	8.95	-79.70
CC(C)CCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491683	0	62	0.0	-78.22	474.10	8.33	-69.89
CC(C)CCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491683	1	62	0.0	-80.14	473.81	8.14	-72.00
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC4CC43)C=C2)CC1	REAL300012491684	0	58	0.0	-85.96	436.27	8.15	-77.81
CN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC4CC43)C=C2)CC1	REAL300012491684	1	58	0.0	-86.61	435.74	8.02	-78.59
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012491685	0	60	0.0	-80.12	449.06	7.62	-72.50
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012491685	1	60	0.0	-81.73	456.69	7.79	-73.94
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491686	0	57	0.0	-81.13	443.78	5.44	-75.69
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491686	1	57	0.0	-81.30	443.25	5.32	-75.98
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491687	0	57	0.0	-86.30	436.80	7.94	-78.36
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491687	1	57	0.0	-88.23	436.26	7.82	-80.41
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])C=C2)CC1	REAL300012491688	0	60	0.0	-71.24	454.77	8.86	-62.38
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])C=C2)CC1	REAL300012491688	1	60	0.0	-66.13	451.83	8.79	-57.34
C[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])C=C2)CC1	REAL300012491689	0	54	0.0	-87.91	424.20	8.25	-79.66
CN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])C=C2)CC1	REAL300012491689	1	54	0.0	-89.26	423.68	8.13	-81.13
COCCCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491690	0	60	0.0	-77.85	468.71	6.10	-71.75
COCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491690	1	60	0.0	-79.59	468.42	5.91	-73.68
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491691	0	59	0.0	-74.26	445.87	8.95	-65.31
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491691	1	59	0.0	-75.29	445.71	8.89	-66.40
CCOCC(NC(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012491692	0	57	0.0	-80.61	447.49	5.42	-75.19
CCOCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300012491692	1	57	0.0	-81.82	446.83	5.34	-76.48
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C2)CC1	REAL300012491693	0	62	0.0	-78.15	463.75	8.42	-69.73
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C2)CC1	REAL300012491693	1	62	0.0	-80.57	464.11	8.46	-72.11
C[C@H]1OCCN(C(=O)NCC2=CC=C(CN3CC[NH+](C)CC3)C=C2)[C@@H]1C(=O)[O-]	REAL300012491694	0	58	0.0	-86.01	434.55	7.43	-78.58
C[C@H]1OCCN(C(=O)NCC2=CC=C(C[NH+]3CCN(C)CC3)C=C2)[C@@H]1C(=O)[O-]	REAL300012491694	1	58	0.0	-88.08	434.02	7.30	-80.78
C[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C2)CC1	REAL300012491695	0	54	0.0	-78.28	434.64	6.70	-71.58
CN1CC[NH+](CC2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C2)CC1	REAL300012491695	1	54	0.0	-79.58	433.86	6.64	-72.94
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300012491696	0	53	0.0	-73.36	404.30	7.17	-66.19
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300012491696	1	53	0.0	-74.68	404.28	7.15	-67.53
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491697	0	61	0.0	-82.32	468.73	8.99	-73.33
C=CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491698	0	59	0.0	-81.22	461.58	8.80	-72.42
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491699	0	58	0.0	-68.96	449.47	10.23	-58.73
CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491700	0	58	0.0	-82.19	442.15	7.99	-74.20
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC(C)O1	REAL300012491701	0	59	0.0	-93.75	440.33	10.81	-82.94
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=C2)CC(C)O1	REAL300012491702	0	56	0.0	-89.07	428.79	9.57	-79.50
CC1C[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC(C)O1	REAL300012491703	0	59	0.0	-87.41	444.46	8.73	-78.68
CC1C[NH+](CC2=CC=C(CNC(=O)NCC(=O)[O-])C=C2)CC(C)O1	REAL300012491704	0	49	0.0	-70.02	387.43	5.80	-64.22
CCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491705	0	55	0.0	-81.65	430.04	7.66	-73.99
CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491706	0	58	0.0	-82.19	442.15	7.99	-74.20
CC1C[NH+](CC2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2)CC(C)O1	REAL300012491707	0	52	0.0	-80.91	406.16	8.50	-72.41
CC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491708	0	52	0.0	-70.74	408.21	6.64	-64.10
CCC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491709	0	61	0.0	-83.20	465.02	8.86	-74.34
CC1C[NH+](CC2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2)CC(C)O1	REAL300012491710	0	52	0.0	-80.91	406.16	8.50	-72.41
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC(C)O1	REAL300012491711	0	59	0.0	-93.75	440.33	10.81	-82.94
CCCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491712	0	61	0.0	-83.12	455.67	8.79	-74.33
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491713	0	58	0.0	-69.63	438.10	9.75	-59.88
CC1C[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC(C)O1	REAL300012491714	0	56	0.0	-65.79	431.52	10.02	-55.77
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491715	0	56	0.0	-68.75	440.78	10.04	-58.71
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491716	0	61	0.0	-68.38	463.88	10.54	-57.84
CC1C[NH+](CC2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C2)CC(C)O1	REAL300012491717	0	55	0.0	-68.81	420.79	7.04	-61.77
CC1C[NH+](CC2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)CC(C)O1	REAL300012491718	0	59	0.0	-84.61	443.68	8.77	-75.84
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491719	0	58	0.0	-69.63	438.10	9.75	-59.88
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491720	0	58	0.0	-68.96	449.47	10.23	-58.73
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491721	0	55	0.0	-81.22	427.97	9.48	-71.74
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491722	0	61	0.0	-82.04	459.62	8.59	-73.45
CC1C[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC(C)O1	REAL300012491723	0	59	0.0	-87.41	444.46	8.73	-78.68
CCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491724	0	58	0.0	-82.94	434.18	8.02	-74.92
C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491725	0	52	0.0	-70.62	408.04	6.66	-63.96
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491726	0	55	0.0	-81.22	427.97	9.48	-71.74
C[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491727	0	52	0.0	-71.05	408.52	6.60	-64.45
CC1C[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=C2)CC(C)O1	REAL300012491728	0	53	0.0	-88.52	414.37	7.85	-80.67
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=C2)CC(C)O1	REAL300012491729	0	57	0.0	-89.70	431.29	8.18	-81.52
CC1C[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC(C)O1	REAL300012491730	0	56	0.0	-81.56	436.96	8.14	-73.42
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491731	0	59	0.0	-69.50	459.34	8.66	-60.84
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300012491732	0	56	0.0	-89.55	429.56	9.26	-80.29
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300012491733	0	59	0.0	-92.71	440.08	10.66	-82.05
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491734	0	55	0.0	-76.35	421.07	8.73	-67.62
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300012491735	0	56	0.0	-88.77	429.22	9.65	-79.12
CC1C[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=C2)CC(C)O1	REAL300012491736	0	56	0.0	-87.82	431.16	8.37	-79.45
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491737	0	56	0.0	-81.28	443.32	8.11	-73.17
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=C2)CC(C)O1	REAL300012491738	0	59	0.0	-88.79	445.94	10.12	-78.67
CC1C[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC(C)O1	REAL300012491739	0	56	0.0	-81.56	436.96	8.14	-73.42
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491740	0	55	0.0	-76.94	420.00	8.67	-68.27
CCCCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491741	0	61	0.0	-81.18	472.79	9.27	-71.91
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)CC(C)O1	REAL300012491742	0	59	0.0	-89.02	445.92	10.11	-78.91
COCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491743	0	56	0.0	-83.21	441.90	5.89	-77.32
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C1CC1	REAL300012491744	0	59	0.0	-69.40	446.41	10.06	-59.34
COCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491745	0	59	0.0	-87.12	452.42	7.31	-79.81
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491746	0	61	0.0	-68.38	463.88	10.54	-57.84
CC1C[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC(C)O1	REAL300012491747	0	56	0.0	-65.79	431.52	10.02	-55.77
CC1C[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=C2)CC(C)O1	REAL300012491748	0	57	0.0	-82.39	435.69	6.16	-76.23
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491749	0	59	0.0	-81.32	464.35	8.98	-72.34
CC1C[NH+](CC2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C2)CC(C)O1	REAL300012491750	0	52	0.0	-68.84	411.83	6.65	-62.19
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491751	0	55	0.0	-76.94	420.00	8.67	-68.27
CCC(CC)(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491752	0	61	0.0	-84.29	450.85	8.92	-75.37
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491753	0	61	0.0	-67.37	461.29	10.92	-56.45
CC1C[NH+](CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC(C)O1	REAL300012491754	0	59	0.0	-81.77	462.16	9.08	-72.69
COCCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491755	0	59	0.0	-81.36	463.71	6.72	-74.64
CC1C[NH+](CC2=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C2)CC(C)O1	REAL300012491756	0	55	0.0	-76.84	440.66	8.18	-68.66
CCCN(C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300012491757	0	61	0.0	-83.28	462.43	10.95	-72.33
CC1C[NH+](CC2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C2)CC(C)O1	REAL300012491758	0	55	0.0	-79.76	436.63	7.79	-71.97
CC1C[NH+](CC2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C2)CC(C)O1	REAL300012491759	0	58	0.0	-79.32	440.77	8.17	-71.15
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491760	0	55	0.0	-76.75	421.37	8.79	-67.96
CC1C[NH+](CC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)CC(C)O1	REAL300012491761	0	57	0.0	-94.69	436.10	10.20	-84.49
CC1C[NH+](CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC(C)O1	REAL300012491762	0	61	0.0	-82.67	460.17	8.85	-73.82
C=C(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491763	0	59	0.0	-82.09	463.19	8.95	-73.14
CC1C[NH+](CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300012491764	0	56	0.0	-85.25	429.05	9.71	-75.54
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C1	REAL300012491765	0	57	0.0	-88.93	443.40	9.74	-79.19
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491766	0	61	0.0	-82.32	468.73	8.99	-73.33
CC1C[NH+](CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC(C)O1	REAL300012491767	0	59	0.0	-81.77	462.16	9.08	-72.69
CSCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491768	0	56	0.0	-79.31	453.50	8.08	-71.23
COC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491769	0	56	0.0	-83.43	441.90	5.89	-77.54
CC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491770	0	55	0.0	-81.32	429.21	7.67	-73.65
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300012491771	0	56	0.0	-89.55	429.56	9.26	-80.29
CCCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491772	0	58	0.0	-81.27	451.30	8.48	-72.79
CC(C)[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491773	0	58	0.0	-81.53	441.48	8.07	-73.46
CCN(C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(C)(C)C(=O)[O-]	REAL300012491774	0	61	0.0	-86.42	454.77	10.45	-75.97
CCCN(C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300012491775	0	61	0.0	-83.28	462.43	10.95	-72.33
CC1C[NH+](CC2=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=C2)CC(C)O1	REAL300012491776	0	58	0.0	-86.26	435.19	9.57	-76.69
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300012491777	0	56	0.0	-88.77	429.22	9.65	-79.12
CC1C[NH+](CC2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300012491778	0	57	0.0	-90.50	441.29	5.94	-84.56
CCC[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491779	0	58	0.0	-81.27	451.29	8.48	-72.79
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491780	0	59	0.0	-81.32	464.35	8.98	-72.34
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)CC(C)O1	REAL300012491781	0	59	0.0	-88.48	439.59	10.16	-78.32
CC(C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491782	0	58	0.0	-82.49	447.07	8.23	-74.26
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491783	0	55	0.0	-76.75	421.37	8.79	-67.96
CCC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491784	0	58	0.0	-81.35	450.71	8.43	-72.92
CCN(C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300012491785	0	58	0.0	-84.10	440.95	10.21	-73.89
CC(CN(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491786	0	58	0.0	-79.64	440.39	9.14	-70.50
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491787	0	61	0.0	-82.04	459.62	8.59	-73.45
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491788	0	58	0.0	-77.21	441.64	9.86	-67.35
COCCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491789	0	59	0.0	-81.36	463.71	6.72	-74.64
CC1C[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)CC(C)O1	REAL300012491790	0	59	0.0	-83.52	458.85	8.73	-74.79
CC1C[NH+](CC2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300012491791	0	57	0.0	-95.82	441.20	6.10	-89.72
CC1C[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC(C)O1	REAL300012491792	0	59	0.0	-82.94	456.81	8.70	-74.24
CC1C[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC(C)O1	REAL300012491793	0	59	0.0	-82.94	456.81	8.70	-74.24
CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C1C(=O)[O-]	REAL300012491794	0	59	0.0	-89.93	444.97	9.73	-80.20
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491795	0	56	0.0	-81.28	443.32	8.11	-73.17
CC1C[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=C2)CC(C)O1	REAL300012491796	0	54	0.0	-81.16	422.14	5.40	-75.76
CC(C)C(C)(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491797	0	61	0.0	-84.07	450.91	8.71	-75.36
CC1C[NH+](CC2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300012491798	0	57	0.0	-93.63	436.89	10.80	-82.83
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491799	0	61	0.0	-77.41	454.25	10.37	-67.04
CC1C[NH+](CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300012491800	0	56	0.0	-85.25	429.05	9.71	-75.54
CC1C[NH+](CC2=CC=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)CC(C)O1	REAL300012491801	0	58	0.0	-67.84	444.89	10.38	-57.46
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491802	0	59	0.0	-83.14	459.90	6.96	-76.18
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491803	0	59	0.0	-89.59	446.74	9.43	-80.16
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491804	0	61	0.0	-77.00	463.02	10.58	-66.42
CCOCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300012491805	0	59	0.0	-83.53	463.75	6.87	-76.66
CC1C[NH+](CC2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C2)CC(C)O1	REAL300012491806	0	56	0.0	-81.31	450.65	8.22	-73.09
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300012491807	0	55	0.0	-76.35	421.07	8.73	-67.62
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491808	0	60	0.0	-79.70	456.23	10.57	-69.13
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491808	1	60	0.0	-79.09	455.44	10.59	-68.50
C=CCOCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491809	0	59	0.0	-80.75	464.24	9.02	-71.73
C=CCOCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491809	1	59	0.0	-81.52	464.05	9.06	-72.46
C=CC(C)C(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491810	0	58	0.0	-80.42	443.14	10.10	-70.32
C=CC(C)C(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491810	1	58	0.0	-79.87	442.43	10.14	-69.73
CC1CCN(C(=O)NCC2=CC=C(C[N@@H+]3CCCC(C)C3)C=C2)C(C(=O)[O-])C1	REAL300012491811	0	61	0.0	-90.59	448.18	12.76	-77.83
CC1CCN(C(=O)NCC2=CC=C(C[N@H+]3CCCC(C)C3)C=C2)C(C(=O)[O-])C1	REAL300012491811	1	61	0.0	-91.75	441.78	12.77	-78.98
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491812	0	57	0.0	-66.39	437.00	11.80	-54.59
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491812	1	57	0.0	-66.33	437.05	11.80	-54.53
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C1CCC1	REAL300012491813	0	61	0.0	-65.72	450.02	12.20	-53.52
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C1CCC1	REAL300012491813	1	61	0.0	-63.76	445.49	12.90	-50.86
CCCN(C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(CC)C(=O)[O-]	REAL300012491814	0	63	0.0	-62.43	462.43	13.66	-48.77
CCCN(C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(CC)C(=O)[O-]	REAL300012491814	1	63	0.0	-75.33	463.83	12.77	-62.56
CC(C)C(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491815	0	57	0.0	-78.78	432.72	9.83	-68.95
CC(C)C(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491815	1	57	0.0	-79.80	434.66	9.80	-70.00
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)C1	REAL300012491816	0	58	0.0	-91.35	427.72	12.42	-78.93
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)C1	REAL300012491816	1	58	0.0	-90.27	427.13	12.13	-78.14
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=C2)C1	REAL300012491817	0	56	0.0	-87.41	427.47	12.26	-75.15
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=C2)C1	REAL300012491817	1	56	0.0	-87.38	427.51	12.26	-75.12
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=C2)C1	REAL300012491818	0	61	0.0	-84.37	447.15	11.44	-72.93
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=C2)C1	REAL300012491818	1	61	0.0	-84.27	447.08	11.44	-72.83
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=C2)C1	REAL300012491819	0	55	0.0	-86.38	416.30	11.14	-75.24
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=C2)C1	REAL300012491819	1	55	0.0	-86.78	417.11	10.82	-75.96
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)C1	REAL300012491820	0	58	0.0	-84.50	432.54	10.36	-74.14
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)C1	REAL300012491820	1	58	0.0	-84.45	432.54	10.36	-74.09
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC(=O)[O-])C=C2)C1	REAL300012491821	0	48	0.0	-67.35	375.01	7.38	-59.97
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC(=O)[O-])C=C2)C1	REAL300012491821	1	48	0.0	-67.34	374.95	7.37	-59.97
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=C2)C1	REAL300012491822	0	58	0.0	-81.05	453.56	11.38	-69.67
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=C2)C1	REAL300012491822	1	58	0.0	-81.28	453.73	11.29	-69.99
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)C1	REAL300012491823	0	58	0.0	-81.26	453.75	11.29	-69.97
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)C1	REAL300012491823	1	58	0.0	-80.86	453.10	11.32	-69.54
CCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491824	0	54	0.0	-79.24	417.57	9.22	-70.02
CCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491824	1	54	0.0	-79.26	417.62	9.22	-70.04
CC(C)C(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491825	0	57	0.0	-78.78	432.72	9.83	-68.95
CC(C)C(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491825	1	57	0.0	-79.80	434.66	9.80	-70.00
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2)C1	REAL300012491826	0	51	0.0	-78.50	393.74	10.06	-68.44
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2)C1	REAL300012491826	1	51	0.0	-78.47	393.69	10.06	-68.41
CC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491827	0	51	0.0	-68.11	395.74	8.20	-59.91
CC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491827	1	51	0.0	-68.01	395.63	8.23	-59.78
CCC(C)C(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491828	0	60	0.0	-80.39	448.22	10.21	-70.18
CCC(C)C(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491828	1	60	0.0	-79.30	450.74	10.46	-68.84
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2)C1	REAL300012491829	0	51	0.0	-78.50	393.74	10.06	-68.44
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2)C1	REAL300012491829	1	51	0.0	-78.47	393.69	10.06	-68.41
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)C1	REAL300012491830	0	58	0.0	-91.35	427.72	12.42	-78.93
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)C1	REAL300012491830	1	58	0.0	-90.27	427.13	12.13	-78.14
CCCC(C)(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491831	0	60	0.0	-80.73	443.21	10.36	-70.37
CCCC(C)(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491831	1	60	0.0	-80.67	443.26	10.36	-70.31
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491832	0	57	0.0	-80.60	425.87	11.32	-69.28
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491832	1	57	0.0	-66.98	425.67	11.32	-55.66
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)C1	REAL300012491833	0	55	0.0	-79.57	420.50	11.43	-68.14
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)C1	REAL300012491833	1	55	0.0	-67.26	418.77	11.57	-55.69
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491834	0	55	0.0	-66.15	428.37	11.61	-54.54
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491834	1	55	0.0	-66.29	428.31	11.61	-54.68
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491835	0	60	0.0	-66.31	451.66	12.32	-53.99
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491835	1	60	0.0	-66.35	451.71	12.32	-54.03
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C2)C1	REAL300012491836	0	54	0.0	-66.19	408.37	8.60	-57.59
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C2)C1	REAL300012491836	1	54	0.0	-66.22	408.32	8.60	-57.62
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)C1	REAL300012491837	0	58	0.0	-82.23	431.20	10.35	-71.88
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)C1	REAL300012491837	1	58	0.0	-82.17	431.21	10.34	-71.83
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=C2)C1	REAL300012491838	0	61	0.0	-84.37	447.15	11.44	-72.93
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=C2)C1	REAL300012491838	1	61	0.0	-84.27	447.08	11.44	-72.83
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491839	0	57	0.0	-80.60	425.87	11.32	-69.28
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491839	1	57	0.0	-66.98	425.67	11.32	-55.66
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491840	0	57	0.0	-66.39	437.00	11.80	-54.59
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491840	1	57	0.0	-66.33	437.05	11.80	-54.53
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491841	0	54	0.0	-78.70	415.50	11.05	-67.65
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491841	1	54	0.0	-78.83	415.55	11.04	-67.79
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491842	0	60	0.0	-80.44	448.81	10.19	-70.25
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491842	1	60	0.0	-80.35	448.87	10.19	-70.16
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)C1	REAL300012491843	0	58	0.0	-84.50	432.54	10.36	-74.14
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)C1	REAL300012491843	1	58	0.0	-84.45	432.54	10.36	-74.09
CCC(C)(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491844	0	57	0.0	-80.36	421.70	9.60	-70.76
CCC(C)(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491844	1	57	0.0	-80.28	421.76	9.60	-70.68
C[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491845	0	51	0.0	-68.02	395.58	8.23	-59.79
C[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491845	1	51	0.0	-68.01	395.63	8.23	-59.78
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491846	0	54	0.0	-78.70	415.50	11.05	-67.65
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491846	1	54	0.0	-78.83	415.55	11.04	-67.79
C[C@@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491847	0	51	0.0	-68.46	396.06	8.17	-60.29
C[C@@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491847	1	51	0.0	-68.12	395.80	8.21	-59.91
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=C2)C1	REAL300012491848	0	52	0.0	-86.00	401.95	9.43	-76.57
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=C2)C1	REAL300012491848	1	52	0.0	-86.00	401.89	9.42	-76.58
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=C2)C1	REAL300012491849	0	56	0.0	-86.63	418.24	9.74	-76.89
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=C2)C1	REAL300012491849	1	56	0.0	-87.38	418.70	9.85	-77.53
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)C1	REAL300012491850	0	55	0.0	-80.74	423.94	9.72	-71.02
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)C1	REAL300012491850	1	55	0.0	-80.68	423.96	9.72	-70.96
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491851	0	58	0.0	-66.94	446.87	10.23	-56.71
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491851	1	58	0.0	-66.84	446.93	10.23	-56.61
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491852	0	55	0.0	-86.84	417.08	10.83	-76.01
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491852	1	55	0.0	-86.79	417.08	10.83	-75.96
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491853	0	58	0.0	-89.90	420.39	12.14	-77.76
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491853	1	58	0.0	-89.92	420.37	12.15	-77.77
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491854	0	54	0.0	-73.79	408.09	10.19	-63.60
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491854	1	54	0.0	-73.86	408.08	10.19	-63.67
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)C1	REAL300012491855	0	55	0.0	-86.42	416.37	11.14	-75.28
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)C1	REAL300012491855	1	55	0.0	-86.57	410.35	10.86	-75.71
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=C2)C1	REAL300012491856	0	55	0.0	-85.18	418.75	9.94	-75.24
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=C2)C1	REAL300012491856	1	55	0.0	-85.32	418.44	9.94	-75.38
C=CCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491857	0	55	0.0	-78.84	430.94	9.67	-69.17
C=CCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491857	1	55	0.0	-78.55	430.64	9.73	-68.82
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=C2)C1	REAL300012491858	0	58	0.0	-86.32	433.48	11.69	-74.63
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=C2)C1	REAL300012491858	1	58	0.0	-86.35	433.44	11.70	-74.65
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCCCCC3C(=O)[O-])C=C2)C1	REAL300012491859	0	61	0.0	-90.12	440.15	12.76	-77.36
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCCCCC3C(=O)[O-])C=C2)C1	REAL300012491859	1	61	0.0	-88.14	442.34	13.00	-75.14
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)C1	REAL300012491860	0	55	0.0	-80.74	423.94	9.72	-71.02
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)C1	REAL300012491860	1	55	0.0	-80.68	423.96	9.72	-70.96
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491861	0	54	0.0	-74.20	407.53	10.24	-63.96
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491861	1	54	0.0	-73.84	408.14	10.19	-63.65
CCCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491862	0	60	0.0	-78.74	460.32	10.83	-67.91
CCCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491862	1	60	0.0	-79.14	460.62	10.77	-68.37
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)C1	REAL300012491863	0	58	0.0	-86.33	433.49	11.69	-74.64
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)C1	REAL300012491863	1	58	0.0	-86.19	426.66	11.71	-74.48
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=C2)C1	REAL300012491864	0	61	0.0	-66.12	452.83	12.68	-53.44
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=C2)C1	REAL300012491864	1	61	0.0	-65.67	451.87	12.62	-53.05
COCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491865	0	55	0.0	-80.70	429.29	7.51	-73.19
COCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491865	1	55	0.0	-80.74	429.48	7.47	-73.27
CCCCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491866	0	63	0.0	-78.76	481.83	11.61	-67.15
CCCCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491866	1	63	0.0	-78.59	481.29	11.56	-67.03
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N(C)C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300012491867	0	61	0.0	-86.81	443.11	12.03	-74.78
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N(C)C3(C(=O)[O-])CCCC3)C=C2)C1	REAL300012491867	1	61	0.0	-86.95	443.03	12.07	-74.88
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C1CC1	REAL300012491868	0	58	0.0	-75.74	426.59	11.31	-64.43
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C1CC1	REAL300012491868	1	58	0.0	-74.36	425.89	11.38	-62.98
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C1CC1	REAL300012491869	0	61	0.0	-77.99	449.53	12.79	-65.20
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C1CC1	REAL300012491869	1	61	0.0	-67.24	454.37	12.69	-54.55
COCC(C)(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491870	0	58	0.0	-84.53	439.95	8.89	-75.64
COCC(C)(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491870	1	58	0.0	-84.49	440.01	8.89	-75.60
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491871	0	61	0.0	-75.57	459.96	10.54	-65.03
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491871	1	61	0.0	-75.49	459.21	10.61	-64.88
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491872	0	60	0.0	-66.31	451.66	12.32	-53.99
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491872	1	60	0.0	-66.35	451.71	12.32	-54.03
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)C1	REAL300012491873	0	55	0.0	-79.57	420.50	11.43	-68.14
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)C1	REAL300012491873	1	55	0.0	-67.26	418.77	11.57	-55.69
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=C2)C1	REAL300012491874	0	56	0.0	-79.95	423.23	7.77	-72.18
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=C2)C1	REAL300012491874	1	56	0.0	-79.85	423.18	7.77	-72.08
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOCC3)C=C2)C1	REAL300012491875	0	59	0.0	-83.02	438.50	8.94	-74.08
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOCC3)C=C2)C1	REAL300012491875	1	59	0.0	-82.92	438.50	8.95	-73.97
C=CCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491876	0	58	0.0	-78.73	451.94	10.55	-68.18
C=CCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491876	1	58	0.0	-78.54	451.64	10.61	-67.93
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C2)C1	REAL300012491877	0	51	0.0	-66.31	399.41	8.22	-58.09
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C2)C1	REAL300012491877	1	51	0.0	-66.30	399.36	8.22	-58.08
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491878	0	54	0.0	-74.20	407.53	10.24	-63.96
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491878	1	54	0.0	-73.84	408.14	10.19	-63.65
CCC(CC)(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491879	0	60	0.0	-81.67	438.38	10.49	-71.18
CCC(CC)(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491879	1	60	0.0	-81.62	438.43	10.49	-71.13
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491880	0	60	0.0	-65.87	446.22	12.38	-53.49
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491880	1	60	0.0	-64.78	448.86	12.48	-52.30
CCC(COC)(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491881	0	61	0.0	-85.99	456.62	9.79	-76.20
CCC(COC)(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491881	1	61	0.0	-85.94	456.45	9.80	-76.14
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)C1	REAL300012491882	0	58	0.0	-78.51	448.40	10.79	-67.72
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)C1	REAL300012491882	1	58	0.0	-78.60	448.35	10.79	-67.81
COCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491883	0	58	0.0	-78.65	451.00	8.35	-70.30
COCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491883	1	58	0.0	-78.85	451.30	8.28	-70.57
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491884	0	63	0.0	-74.93	465.83	12.66	-62.27
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491884	1	63	0.0	-74.89	465.87	12.72	-62.17
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C2)C1	REAL300012491885	0	54	0.0	-74.37	428.24	9.75	-64.62
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C2)C1	REAL300012491885	1	54	0.0	-77.62	429.68	9.57	-68.05
CCCN(C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300012491886	0	60	0.0	-66.62	447.43	11.87	-54.75
CCCN(C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300012491886	1	60	0.0	-63.77	447.72	12.68	-51.09
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C2)C1	REAL300012491887	0	54	0.0	-77.18	424.22	9.36	-67.82
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C2)C1	REAL300012491887	1	54	0.0	-77.25	424.16	9.36	-67.89
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C2)C1	REAL300012491888	0	57	0.0	-76.86	428.35	9.74	-67.12
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C2)C1	REAL300012491888	1	57	0.0	-76.95	428.30	9.74	-67.21
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491889	0	55	0.0	-79.02	430.14	10.97	-68.05
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491889	1	55	0.0	-79.57	423.35	11.00	-68.57
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491890	0	54	0.0	-74.33	407.52	10.24	-64.09
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491890	1	54	0.0	-74.26	407.67	10.30	-63.96
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)C1	REAL300012491891	0	56	0.0	-92.11	423.69	11.76	-80.35
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)C1	REAL300012491891	1	56	0.0	-92.12	423.69	11.75	-80.37
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)C1	REAL300012491892	0	60	0.0	-80.60	448.35	10.34	-70.26
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)C1	REAL300012491892	1	60	0.0	-79.51	446.75	10.35	-69.16
C=C(Cl)CC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491893	0	55	0.0	-79.63	446.89	10.28	-69.35
C=C(Cl)CC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491893	1	55	0.0	-79.70	446.84	10.27	-69.43
C=C(C)CC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491894	0	58	0.0	-78.71	450.68	10.45	-68.26
C=C(C)CC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491894	1	58	0.0	-79.37	451.45	10.42	-68.95
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2)C1	REAL300012491895	0	59	0.0	-94.05	438.14	12.58	-81.47
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2)C1	REAL300012491895	1	59	0.0	-94.19	438.72	12.60	-81.59
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)C1	REAL300012491896	0	55	0.0	-78.65	429.34	11.31	-67.34
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)C1	REAL300012491896	1	55	0.0	-78.74	429.32	11.31	-67.43
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)C1	REAL300012491897	0	55	0.0	-83.07	416.81	10.95	-72.12
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)C1	REAL300012491897	1	55	0.0	-82.99	416.08	11.24	-71.75
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[N@H+]3CCCC(C)C3)C=C2)C1	REAL300012491898	0	56	0.0	-87.73	430.56	11.20	-76.53
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[N@@H+]3CCCC(C)C3)C=C2)C1	REAL300012491898	1	56	0.0	-86.68	430.54	11.20	-75.48
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491899	0	60	0.0	-79.70	456.23	10.57	-69.13
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491899	1	60	0.0	-79.09	455.44	10.59	-68.50
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)C1	REAL300012491900	0	58	0.0	-81.26	453.75	11.29	-69.97
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)C1	REAL300012491900	1	58	0.0	-80.86	453.10	11.32	-69.54
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)C1	REAL300012491901	0	58	0.0	-78.51	448.40	10.79	-67.72
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)C1	REAL300012491901	1	58	0.0	-78.60	448.35	10.79	-67.81
CSCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491902	0	55	0.0	-76.76	440.80	9.70	-67.06
CSCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491902	1	55	0.0	-77.00	441.10	9.64	-67.36
COC[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491903	0	55	0.0	-80.56	428.94	7.45	-73.11
COC[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491903	1	55	0.0	-80.71	429.42	7.47	-73.24
CC[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491904	0	54	0.0	-79.23	417.57	9.22	-70.01
CC[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491904	1	54	0.0	-79.16	417.56	9.23	-69.93
CCC(C)CC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491905	0	63	0.0	-79.27	474.26	11.25	-68.02
CCC(C)CC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491905	1	63	0.0	-79.54	474.56	11.18	-68.36
C=CCCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491906	0	61	0.0	-78.80	473.19	11.40	-67.40
C=CCCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491906	1	61	0.0	-78.44	473.14	11.40	-67.04
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=C2)C1	REAL300012491907	0	56	0.0	-87.41	427.47	12.26	-75.15
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=C2)C1	REAL300012491907	1	56	0.0	-87.38	427.51	12.26	-75.12
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491908	0	55	0.0	-86.84	417.08	10.83	-76.01
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491908	1	55	0.0	-86.79	417.08	10.83	-75.96
CCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491909	0	57	0.0	-79.14	439.07	10.00	-69.14
CCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491909	1	57	0.0	-78.86	438.88	10.05	-68.81
CC(C)[C@@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491910	0	57	0.0	-78.74	432.69	9.83	-68.91
CC(C)[C@@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491910	1	57	0.0	-79.17	429.07	9.63	-69.54
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C=C2)C1	REAL300012491911	0	59	0.0	-93.44	438.33	12.73	-80.71
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C=C2)C1	REAL300012491911	1	59	0.0	-94.39	431.15	12.73	-81.66
CCN(C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(C)(C)C(=O)[O-]	REAL300012491912	0	60	0.0	-83.91	442.20	11.98	-71.93
CCN(C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(C)(C)C(=O)[O-]	REAL300012491912	1	60	0.0	-84.03	442.34	12.01	-72.02
CCCN(C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300012491913	0	60	0.0	-66.62	447.43	11.87	-54.75
CCCN(C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300012491913	1	60	0.0	-63.77	447.72	12.68	-51.09
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=C2)C1	REAL300012491914	0	57	0.0	-83.91	422.76	11.14	-72.77
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=C2)C1	REAL300012491914	1	57	0.0	-83.85	422.83	11.13	-72.72
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)C1	REAL300012491915	0	55	0.0	-86.42	416.37	11.14	-75.28
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)C1	REAL300012491915	1	55	0.0	-86.57	410.35	10.86	-75.71
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491916	0	56	0.0	-88.21	428.41	7.42	-80.79
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491916	1	56	0.0	-87.63	421.62	7.44	-80.19
CCC[C@@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491917	0	57	0.0	-78.83	438.83	10.05	-68.78
CCC[C@@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491917	1	57	0.0	-78.88	438.82	10.05	-68.83
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=C2)C1	REAL300012491918	0	58	0.0	-81.05	453.56	11.38	-69.67
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=C2)C1	REAL300012491918	1	58	0.0	-81.28	453.73	11.29	-69.99
C=CCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491919	0	58	0.0	-78.73	451.94	10.55	-68.18
C=CCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491919	1	58	0.0	-78.54	451.64	10.61	-67.93
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)C1	REAL300012491920	0	58	0.0	-86.48	433.50	11.70	-74.78
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)C1	REAL300012491920	1	58	0.0	-86.03	426.69	11.71	-74.32
CC(C)[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491921	0	57	0.0	-79.72	430.26	9.55	-70.17
CC(C)[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491921	1	57	0.0	-78.15	431.74	9.77	-68.38
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C=C2)C1	REAL300012491922	0	58	0.0	-80.79	453.10	11.32	-69.47
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C=C2)C1	REAL300012491922	1	58	0.0	-81.30	453.70	11.29	-70.01
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491923	0	54	0.0	-74.33	407.52	10.24	-64.09
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491923	1	54	0.0	-74.26	407.67	10.30	-63.96
CCC[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491924	0	57	0.0	-78.70	438.24	10.00	-68.70
CCC[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491924	1	57	0.0	-79.17	439.13	9.99	-69.18
CCN(C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300012491925	0	57	0.0	-74.62	425.57	11.14	-63.48
CCN(C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300012491925	1	57	0.0	-81.64	428.39	11.75	-69.89
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=C2)C1	REAL300012491926	0	61	0.0	-66.12	452.83	12.68	-53.44
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=C2)C1	REAL300012491926	1	61	0.0	-65.67	451.87	12.62	-53.05
CC(CN(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491927	0	57	0.0	-76.97	427.92	10.70	-66.27
CC(CN(C)C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491927	1	57	0.0	-77.02	427.98	10.71	-66.31
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491928	0	60	0.0	-80.44	448.81	10.19	-70.25
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491928	1	60	0.0	-80.35	448.87	10.19	-70.16
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491929	0	57	0.0	-74.36	429.05	11.37	-62.99
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491929	1	57	0.0	-74.69	428.01	11.38	-63.31
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)C=C2)C1	REAL300012491930	0	59	0.0	-90.43	448.93	7.12	-83.31
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)C=C2)C1	REAL300012491930	1	59	0.0	-90.32	448.96	7.13	-83.19
CC1CCC(NC(=O)NCC2=CC=C(C[N@@H+]3CCCC(C)C3)C=C2)(C(=O)[O-])C1	REAL300012491931	0	61	0.0	-84.46	453.74	10.92	-73.54
CC1CCC(NC(=O)NCC2=CC=C(C[N@H+]3CCCC(C)C3)C=C2)(C(=O)[O-])C1	REAL300012491931	1	61	0.0	-84.35	453.74	10.92	-73.43
COCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491932	0	58	0.0	-78.65	451.00	8.35	-70.30
COCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491932	1	58	0.0	-78.85	451.30	8.28	-70.57
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)C1	REAL300012491933	0	61	0.0	-86.02	454.75	11.64	-74.38
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)C1	REAL300012491933	1	61	0.0	-85.96	454.77	11.64	-74.32
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)C1	REAL300012491934	0	58	0.0	-80.85	446.43	10.30	-70.55
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)C1	REAL300012491934	1	58	0.0	-80.23	446.29	10.35	-69.88
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491935	0	56	0.0	-92.65	420.32	7.64	-85.01
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491935	1	56	0.0	-92.19	420.27	7.63	-84.56
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCOC3)C=C2)C1	REAL300012491936	0	59	0.0	-82.15	444.51	8.21	-73.94
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCOC3)C=C2)C1	REAL300012491936	1	59	0.0	-82.18	444.46	8.21	-73.97
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=C2)C1	REAL300012491937	0	59	0.0	-90.89	438.07	12.29	-78.60
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=C2)C1	REAL300012491937	1	59	0.0	-90.71	431.33	12.30	-78.41
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)C=C2)C1	REAL300012491938	0	57	0.0	-87.15	430.68	10.02	-77.13
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)C=C2)C1	REAL300012491938	1	57	0.0	-87.52	430.54	10.03	-77.49
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[N@@H+]3CCCC(C)C3)C=C2)C1	REAL300012491939	0	61	0.0	-89.84	448.18	12.74	-77.10
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[N@H+]3CCCC(C)C3)C=C2)C1	REAL300012491939	1	61	0.0	-90.85	443.35	13.06	-77.79
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)C1	REAL300012491940	0	58	0.0	-80.37	444.47	10.27	-70.10
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)C1	REAL300012491940	1	58	0.0	-79.60	441.93	10.21	-69.39
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)C1	REAL300012491941	0	58	0.0	-80.37	444.47	10.27	-70.10
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)C1	REAL300012491941	1	58	0.0	-79.60	441.93	10.21	-69.39
CC1CCN(C(=O)NCC2=CC=C(C[N@@H+]3CCCC(C)C3)C=C2)C1C(=O)[O-]	REAL300012491942	0	58	0.0	-87.93	437.70	11.42	-76.51
CC1CCN(C(=O)NCC2=CC=C(C[N@H+]3CCCC(C)C3)C=C2)C1C(=O)[O-]	REAL300012491942	1	58	0.0	-88.01	437.77	11.40	-76.61
C=CCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491943	0	55	0.0	-78.84	430.94	9.67	-69.17
C=CCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491943	1	55	0.0	-78.55	430.64	9.73	-68.82
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=C2)C1	REAL300012491944	0	59	0.0	-66.32	439.86	12.14	-54.18
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=C2)C1	REAL300012491944	1	59	0.0	-66.22	439.86	12.14	-54.08
COC1CC(NC(=O)NCC2=CC=C(C[N@@H+]3CCCC(C)C3)C=C2)(C(=O)[O-])C1	REAL300012491945	0	59	0.0	-87.30	452.03	8.89	-78.41
COC1CC(NC(=O)NCC2=CC=C(C[N@H+]3CCCC(C)C3)C=C2)(C(=O)[O-])C1	REAL300012491945	1	59	0.0	-87.26	451.87	8.90	-78.36
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=C2)C1	REAL300012491946	0	55	0.0	-82.72	427.18	9.97	-72.75
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=C2)C1	REAL300012491946	1	55	0.0	-82.79	427.30	9.96	-72.83
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(C[N@@H+]3CCCC(C)C3)C=C2)(C(=O)[O-])C1	REAL300012491947	0	59	0.0	-81.75	450.45	8.80	-72.95
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(C[N@H+]3CCCC(C)C3)C=C2)(C(=O)[O-])C1	REAL300012491947	1	59	0.0	-81.17	450.20	8.81	-72.36
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491948	0	61	0.0	-87.50	449.22	12.84	-74.66
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491948	1	61	0.0	-89.07	449.73	12.96	-76.11
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=C2)C1	REAL300012491949	0	53	0.0	-78.43	409.59	6.98	-71.45
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=C2)C1	REAL300012491949	1	53	0.0	-78.47	409.55	6.98	-71.49
CC(C)C(C)(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491950	0	60	0.0	-81.43	438.44	10.28	-71.15
CC(C)C(C)(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491950	1	60	0.0	-81.55	438.50	10.29	-71.26
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491951	0	56	0.0	-90.83	416.93	12.36	-78.47
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491951	1	56	0.0	-90.78	416.90	12.35	-78.43
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491952	0	59	0.0	-88.54	439.67	11.90	-76.64
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491952	1	59	0.0	-88.09	432.89	11.92	-76.17
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491953	0	60	0.0	-76.10	442.74	12.08	-64.02
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491953	1	60	0.0	-75.15	442.34	12.04	-63.11
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)C1	REAL300012491954	0	55	0.0	-83.07	416.81	10.95	-72.12
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)C1	REAL300012491954	1	55	0.0	-82.99	416.08	11.24	-71.75
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)C1	REAL300012491955	0	57	0.0	-64.98	431.35	11.98	-53.00
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)C1	REAL300012491955	1	57	0.0	-65.04	432.09	11.97	-53.07
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])C=C2)C1	REAL300012491956	0	61	0.0	-87.88	451.22	12.07	-75.81
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])C=C2)C1	REAL300012491956	1	61	0.0	-88.68	452.47	11.77	-76.91
CC(C)CCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491957	0	63	0.0	-78.97	477.89	11.35	-67.62
CC(C)CCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491957	1	63	0.0	-78.99	477.95	11.35	-67.64
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CC4(CCC4)CC3C(=O)[O-])C=C2)C1	REAL300012491958	0	62	0.0	-65.24	463.24	12.64	-52.60
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CC4(CCC4)CC3C(=O)[O-])C=C2)C1	REAL300012491958	1	62	0.0	-65.99	465.62	12.56	-53.43
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC4CC43)C=C2)C1	REAL300012491959	0	62	0.0	-84.19	455.65	11.81	-72.38
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC4CC43)C=C2)C1	REAL300012491959	1	62	0.0	-86.37	452.89	12.08	-74.29
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC4CC43)C=C2)C1	REAL300012491960	0	59	0.0	-84.76	441.40	10.96	-73.80
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC4CC43)C=C2)C1	REAL300012491960	1	59	0.0	-84.67	441.22	10.94	-73.73
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C=C2)C1	REAL300012491961	0	62	0.0	-84.68	461.38	11.56	-73.12
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C=C2)C1	REAL300012491961	1	62	0.0	-84.73	461.04	11.56	-73.17
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCC3)C=C2)C1	REAL300012491962	0	61	0.0	-80.84	453.74	10.81	-70.03
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCC3)C=C2)C1	REAL300012491962	1	61	0.0	-80.03	453.46	10.80	-69.23
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491963	0	58	0.0	-80.27	447.08	8.46	-71.81
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491963	1	58	0.0	-80.61	447.57	8.47	-72.14
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491964	0	58	0.0	-84.78	424.97	10.49	-74.29
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491964	1	58	0.0	-84.35	431.77	10.49	-73.86
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])C=C2)C1	REAL300012491965	0	61	0.0	-65.65	456.99	11.87	-53.78
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])C=C2)C1	REAL300012491965	1	61	0.0	-65.65	456.93	11.87	-53.78
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])C=C2)C1	REAL300012491966	0	55	0.0	-88.91	428.89	10.99	-77.92
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])C=C2)C1	REAL300012491966	1	55	0.0	-85.67	427.52	11.13	-74.54
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491967	0	62	0.0	-89.22	447.25	12.30	-76.92
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2)C1	REAL300012491967	1	62	0.0	-88.97	447.23	12.30	-76.67
COCCCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491968	0	61	0.0	-78.81	472.74	9.06	-69.75
COCCCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491968	1	61	0.0	-78.43	472.55	9.12	-69.31
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491969	0	60	0.0	-75.19	449.49	12.00	-63.19
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491969	1	60	0.0	-74.49	450.09	12.04	-62.45
CCOCC(NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491970	0	58	0.0	-81.08	451.15	8.49	-72.59
CCOCC(NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300012491970	1	58	0.0	-81.06	451.20	8.49	-72.57
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C2)C1	REAL300012491971	0	63	0.0	-79.85	468.46	11.61	-68.24
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C2)C1	REAL300012491971	1	63	0.0	-79.50	468.16	11.69	-67.81
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])C=C2)C1	REAL300012491972	0	59	0.0	-87.10	431.59	10.42	-76.68
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])C=C2)C1	REAL300012491972	1	59	0.0	-88.52	432.25	10.72	-77.80
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C2)C1	REAL300012491973	0	55	0.0	-79.05	438.47	9.73	-69.32
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C2)C1	REAL300012491973	1	55	0.0	-78.82	438.18	9.79	-69.03
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CO3)C=C2)C1	REAL300012491974	0	58	0.0	-66.65	456.16	12.19	-54.46
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CO3)C=C2)C1	REAL300012491974	1	58	0.0	-68.06	450.58	11.94	-56.12
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300012491975	0	54	0.0	-73.79	408.09	10.19	-63.60
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300012491975	1	54	0.0	-73.86	408.08	10.19	-63.67
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491976	0	60	0.0	-70.11	443.84	11.25	-58.86
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491976	1	60	0.0	-69.33	450.01	10.77	-58.56
C=CCOCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491977	0	59	0.0	-60.44	457.93	9.25	-51.19
C=CCOCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491977	1	59	0.0	-59.57	454.51	9.84	-49.73
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491978	0	58	0.0	-69.14	434.75	11.01	-58.13
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491978	1	58	0.0	-66.85	440.13	10.55	-56.30
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012491979	0	61	0.0	-74.76	439.24	13.94	-60.82
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012491979	1	61	0.0	-70.58	441.71	12.97	-57.61
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012491980	0	57	0.0	-56.04	426.22	12.67	-43.37
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012491980	1	57	0.0	-58.13	430.73	12.04	-46.09
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C1CCC1	REAL300012491981	0	61	0.0	-36.48	433.03	12.93	-23.55
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C1CCC1	REAL300012491981	1	61	0.0	-32.69	434.21	13.11	-19.58
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(CC)C(=O)[O-]	REAL300012491982	0	63	0.0	-55.29	451.70	13.56	-41.73
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(CC)C(=O)[O-]	REAL300012491982	1	63	0.0	-56.65	457.01	12.90	-43.75
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491983	0	57	0.0	-57.05	423.23	10.67	-46.38
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491983	1	57	0.0	-57.51	426.43	10.07	-47.44
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012491984	0	58	0.0	-70.68	420.83	12.45	-58.23
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012491984	1	58	0.0	-77.02	419.68	12.16	-64.86
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012491985	0	56	0.0	-67.66	420.83	12.38	-55.28
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012491985	1	56	0.0	-76.55	419.41	12.17	-64.38
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012491986	0	61	0.0	-61.14	440.77	11.68	-49.46
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012491986	1	61	0.0	-75.01	434.30	12.09	-62.92
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCCC2C(=O)[O-])C1	REAL300012491987	0	55	0.0	-64.31	410.76	11.07	-53.24
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCCC2C(=O)[O-])C1	REAL300012491987	1	55	0.0	-63.54	406.11	11.66	-51.88
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012491988	0	58	0.0	-61.50	426.30	10.58	-50.92
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012491988	1	58	0.0	-60.61	423.46	11.27	-49.34
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC(=O)[O-])C1	REAL300012491989	0	48	0.0	-55.23	368.69	7.60	-47.63
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC(=O)[O-])C1	REAL300012491989	1	48	0.0	-53.60	365.90	8.29	-45.31
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012491990	0	58	0.0	-59.89	447.17	11.62	-48.27
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012491990	1	58	0.0	-60.14	444.01	12.13	-48.01
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012491991	0	58	0.0	-68.05	446.84	11.56	-56.49
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012491991	1	58	0.0	-60.10	444.01	12.13	-47.97
CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491992	0	54	0.0	-58.36	407.90	10.07	-48.29
CCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491992	1	54	0.0	-58.14	411.07	9.52	-48.62
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491993	0	57	0.0	-57.05	423.23	10.67	-46.38
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491993	1	57	0.0	-57.51	426.43	10.07	-47.44
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N(C)CC(=O)[O-])C1	REAL300012491994	0	51	0.0	-58.19	387.37	10.31	-47.88
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N(C)CC(=O)[O-])C1	REAL300012491994	1	51	0.0	-57.58	382.30	10.85	-46.73
CC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491995	0	51	0.0	-52.73	386.70	9.13	-43.60
CC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491995	1	51	0.0	-54.07	389.48	8.44	-45.63
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491996	0	60	0.0	-67.42	438.11	11.08	-56.34
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491996	1	60	0.0	-69.58	442.55	10.42	-59.16
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N(C)CC(=O)[O-])C1	REAL300012491997	0	51	0.0	-58.19	387.37	10.31	-47.88
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N(C)CC(=O)[O-])C1	REAL300012491997	1	51	0.0	-57.58	382.30	10.85	-46.73
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012491998	0	58	0.0	-70.68	420.83	12.45	-58.23
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012491998	1	58	0.0	-77.02	419.68	12.16	-64.86
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491999	0	60	0.0	-56.95	434.10	11.24	-45.71
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012491999	1	60	0.0	-57.90	436.94	10.59	-47.31
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492000	0	57	0.0	-60.66	419.50	11.44	-49.22
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492000	1	57	0.0	-58.63	421.14	11.68	-46.95
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012492001	0	55	0.0	-70.00	410.19	11.57	-58.43
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012492001	1	55	0.0	-61.96	410.94	11.47	-50.49
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492002	0	55	0.0	-57.85	422.05	11.84	-46.01
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492002	1	55	0.0	-55.69	417.56	12.47	-43.22
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492003	0	60	0.0	-43.69	443.85	12.21	-31.48
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492003	1	60	0.0	-40.72	446.17	12.30	-28.42
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(C)(C)C(=O)[O-])C1	REAL300012492004	0	54	0.0	-54.78	402.00	8.84	-45.94
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(C)(C)C(=O)[O-])C1	REAL300012492004	1	54	0.0	-53.04	399.26	9.52	-43.52
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012492005	0	58	0.0	-69.19	424.89	10.59	-58.60
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012492005	1	58	0.0	-58.26	422.07	11.26	-47.00
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012492006	0	61	0.0	-61.14	440.77	11.68	-49.46
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012492006	1	61	0.0	-75.01	434.30	12.09	-62.92
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492007	0	57	0.0	-60.66	419.50	11.44	-49.22
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492007	1	57	0.0	-58.63	421.14	11.68	-46.95
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492008	0	57	0.0	-56.04	426.22	12.67	-43.37
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492008	1	57	0.0	-58.13	430.73	12.04	-46.09
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492009	0	54	0.0	-57.62	404.07	11.84	-45.78
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492009	1	54	0.0	-58.03	409.24	11.28	-46.75
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492010	0	60	0.0	-68.42	439.70	11.12	-57.30
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492010	1	60	0.0	-68.51	440.89	10.39	-58.12
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012492011	0	58	0.0	-61.50	426.30	10.58	-50.92
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012492011	1	58	0.0	-60.61	423.46	11.27	-49.34
CCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492012	0	57	0.0	-56.73	412.60	10.48	-46.25
CCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492012	1	57	0.0	-57.71	415.45	9.84	-47.87
C[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492013	0	51	0.0	-55.91	386.64	9.13	-46.78
C[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492013	1	51	0.0	-57.70	389.48	8.44	-49.26
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492014	0	54	0.0	-57.62	404.07	11.84	-45.78
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492014	1	54	0.0	-58.03	409.24	11.28	-46.75
C[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492015	0	51	0.0	-53.34	386.94	9.10	-44.24
C[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492015	1	51	0.0	-54.01	389.42	8.45	-45.56
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC2)C1	REAL300012492016	0	52	0.0	-65.06	395.57	9.67	-55.39
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC2)C1	REAL300012492016	1	52	0.0	-64.51	392.84	10.34	-54.17
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012492017	0	56	0.0	-68.81	412.39	10.09	-58.72
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012492017	1	56	0.0	-74.79	411.04	9.75	-65.04
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012492018	0	55	0.0	-58.68	415.48	9.94	-48.74
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012492018	1	55	0.0	-59.25	414.13	10.56	-48.69
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492019	0	58	0.0	-45.11	439.08	10.47	-34.64
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492019	1	58	0.0	-42.87	432.38	11.22	-31.65
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012492020	0	55	0.0	-64.40	404.10	11.09	-53.31
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012492020	1	55	0.0	-63.60	405.98	11.66	-51.94
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012492021	0	58	0.0	-70.55	420.83	12.42	-58.13
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012492021	1	58	0.0	-77.25	419.97	12.19	-65.06
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492022	0	54	0.0	-55.96	399.03	10.98	-44.98
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492022	1	54	0.0	-56.20	401.82	10.42	-45.78
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012492023	0	55	0.0	-74.42	403.27	11.40	-63.02
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012492023	1	55	0.0	-72.36	405.53	11.85	-60.51
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012492024	0	55	0.0	-63.10	412.42	10.17	-52.93
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012492024	1	55	0.0	-62.42	409.58	10.87	-51.55
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492025	0	55	0.0	-57.74	424.35	9.98	-47.76
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492025	1	55	0.0	-58.00	421.17	10.52	-47.48
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012492026	0	58	0.0	-63.14	427.07	11.94	-51.20
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012492026	1	58	0.0	-74.63	422.93	12.53	-62.10
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012492027	0	61	0.0	-64.93	434.64	12.90	-52.03
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012492027	1	61	0.0	-82.11	433.30	12.75	-69.36
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012492028	0	55	0.0	-58.68	415.48	9.94	-48.74
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012492028	1	55	0.0	-59.25	414.13	10.56	-48.69
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492029	0	54	0.0	-63.02	396.88	11.17	-51.85
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492029	1	54	0.0	-56.55	401.23	10.38	-46.17
CCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492030	0	60	0.0	-57.61	450.86	11.67	-45.94
CCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492030	1	60	0.0	-57.95	454.07	11.07	-46.88
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012492031	0	58	0.0	-74.99	427.12	11.92	-63.07
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012492031	1	58	0.0	-75.98	421.78	12.67	-63.31
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012492032	0	61	0.0	-58.02	445.54	12.86	-45.16
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012492032	1	61	0.0	-56.06	441.04	13.49	-42.57
COCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492033	0	55	0.0	-59.14	419.75	8.29	-50.85
COCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492033	1	55	0.0	-59.91	423.17	7.70	-52.21
CCCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492034	0	63	0.0	-58.08	472.39	12.39	-45.69
CCCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492034	1	63	0.0	-57.89	475.56	11.85	-46.04
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012492035	0	61	0.0	-76.06	436.88	12.30	-63.76
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012492035	1	61	0.0	-77.43	432.46	12.80	-64.63
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C1CC1	REAL300012492036	0	58	0.0	-62.37	426.01	11.59	-50.78
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C1CC1	REAL300012492036	1	58	0.0	-66.34	420.20	11.55	-54.79
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C1CC1	REAL300012492037	0	61	0.0	-46.78	447.32	12.78	-34.00
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C1CC1	REAL300012492037	1	61	0.0	-56.04	439.76	12.53	-43.51
COCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492038	0	58	0.0	-61.35	430.85	9.77	-51.58
COCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492038	1	58	0.0	-62.06	433.69	9.12	-52.94
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492039	0	61	0.0	-56.14	448.52	11.41	-44.73
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492039	1	61	0.0	-57.73	453.69	10.78	-46.95
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492040	0	60	0.0	-43.69	443.85	12.21	-31.48
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492040	1	60	0.0	-40.72	446.17	12.30	-28.42
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012492041	0	55	0.0	-70.00	410.19	11.57	-58.43
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012492041	1	55	0.0	-61.96	410.94	11.47	-50.49
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012492042	0	56	0.0	-58.63	416.91	8.00	-50.63
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012492042	1	56	0.0	-57.52	414.03	8.70	-48.82
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012492043	0	59	0.0	-72.56	432.21	9.18	-63.38
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012492043	1	59	0.0	-60.12	429.39	9.83	-50.29
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492044	0	58	0.0	-57.76	445.38	10.85	-46.91
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492044	1	58	0.0	-58.09	442.20	11.39	-46.70
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(CF)C(=O)[O-])C1	REAL300012492045	0	51	0.0	-52.54	393.41	8.43	-44.11
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(CF)C(=O)[O-])C1	REAL300012492045	1	51	0.0	-51.40	390.61	9.11	-42.29
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492046	0	54	0.0	-63.02	396.88	11.17	-51.85
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492046	1	54	0.0	-56.55	401.23	10.38	-46.17
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492047	0	60	0.0	-57.65	428.98	11.37	-46.28
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492047	1	60	0.0	-58.49	431.76	10.73	-47.76
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492048	0	60	0.0	-58.00	435.47	13.25	-44.75
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492048	1	60	0.0	-57.76	439.97	12.61	-45.15
CCC(COC)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492049	0	61	0.0	-62.38	447.24	10.70	-51.68
CCC(COC)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492049	1	61	0.0	-74.58	450.36	10.02	-64.56
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012492050	0	58	0.0	-57.85	442.62	11.08	-46.77
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012492050	1	58	0.0	-57.65	439.99	11.56	-46.09
COCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492051	0	58	0.0	-58.29	441.57	9.13	-49.16
COCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492051	1	58	0.0	-58.25	444.74	8.58	-49.67
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492052	0	63	0.0	-57.43	457.53	13.57	-43.86
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492052	1	63	0.0	-56.41	460.14	12.84	-43.57
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012492053	0	54	0.0	-57.95	423.42	9.81	-48.14
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012492053	1	54	0.0	-57.81	420.22	10.41	-47.40
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012492054	0	60	0.0	-58.76	438.10	11.83	-46.93
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012492054	1	60	0.0	-55.53	440.97	12.11	-43.42
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012492055	0	54	0.0	-56.94	417.66	9.66	-47.28
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012492055	1	54	0.0	-57.17	414.49	10.20	-46.97
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012492056	0	57	0.0	-54.99	422.04	9.97	-45.02
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012492056	1	57	0.0	-53.99	419.19	10.62	-43.37
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012492057	0	55	0.0	-59.06	417.05	11.24	-47.82
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012492057	1	55	0.0	-58.87	420.49	11.70	-47.17
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492058	0	54	0.0	-62.46	397.37	11.13	-51.33
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492058	1	54	0.0	-64.80	401.21	10.48	-54.32
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012492059	0	56	0.0	-73.24	415.40	12.01	-61.23
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012492059	1	56	0.0	-80.81	409.10	11.81	-69.00
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012492060	0	60	0.0	-70.13	442.04	10.58	-59.55
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012492060	1	60	0.0	-71.41	438.34	11.07	-60.34
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492061	0	55	0.0	-54.70	439.54	10.64	-44.06
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492061	1	55	0.0	-53.77	436.34	11.25	-42.52
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492062	0	58	0.0	-58.31	441.82	11.00	-47.31
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492062	1	58	0.0	-58.26	441.02	11.44	-46.82
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012492063	0	59	0.0	-73.41	429.95	12.82	-60.59
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012492063	1	59	0.0	-85.40	427.78	12.99	-72.41
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012492064	0	55	0.0	-66.69	416.32	11.57	-55.12
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012492064	1	55	0.0	-67.45	418.33	12.24	-55.21
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012492065	0	55	0.0	-72.94	409.82	11.48	-61.46
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012492065	1	55	0.0	-71.67	412.37	12.09	-59.58
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+]2CCCC(C)C2)C1	REAL300012492066	0	56	0.0	-74.37	417.52	11.46	-62.91
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCCC(C)C2)C1	REAL300012492066	1	56	0.0	-75.52	419.89	11.94	-63.58
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492067	0	60	0.0	-70.11	443.84	11.25	-58.86
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492067	1	60	0.0	-69.33	450.01	10.77	-58.56
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012492068	0	58	0.0	-68.05	446.84	11.56	-56.49
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012492068	1	58	0.0	-60.10	444.01	12.13	-47.97
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012492069	0	58	0.0	-57.85	442.62	11.08	-46.77
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012492069	1	58	0.0	-57.65	439.99	11.56	-46.09
CSCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492070	0	55	0.0	-55.70	431.57	10.48	-45.22
CSCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492070	1	55	0.0	-57.12	435.01	9.80	-47.32
COC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492071	0	55	0.0	-68.47	419.87	8.37	-60.10
COC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492071	1	55	0.0	-70.25	423.11	7.71	-62.54
CC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492072	0	54	0.0	-69.73	406.98	9.91	-59.82
CC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492072	1	54	0.0	-68.78	411.25	9.47	-59.31
CCC(C)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492073	0	63	0.0	-60.20	464.72	11.99	-48.21
CCC(C)CC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492073	1	63	0.0	-58.16	468.00	11.48	-46.68
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492074	0	61	0.0	-58.02	466.88	11.63	-46.39
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492074	1	61	0.0	-57.64	463.68	12.23	-45.41
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012492075	0	56	0.0	-67.66	420.83	12.38	-55.28
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012492075	1	56	0.0	-76.55	419.41	12.17	-64.38
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012492076	0	55	0.0	-64.40	404.10	11.09	-53.31
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012492076	1	55	0.0	-63.60	405.98	11.66	-51.94
CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492077	0	57	0.0	-58.32	429.39	10.83	-47.49
CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492077	1	57	0.0	-58.72	432.81	10.22	-48.50
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492078	0	57	0.0	-57.37	419.41	10.48	-46.89
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492078	1	57	0.0	-57.89	422.69	9.87	-48.02
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012492079	0	59	0.0	-77.42	424.93	12.94	-64.48
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012492079	1	59	0.0	-78.43	428.61	13.56	-64.87
CCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(C)(C)C(=O)[O-]	REAL300012492080	0	60	0.0	-73.18	431.27	12.80	-60.38
CCN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(C)(C)C(=O)[O-]	REAL300012492080	1	60	0.0	-60.71	436.03	12.24	-48.47
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012492081	0	60	0.0	-58.76	438.10	11.83	-46.93
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012492081	1	60	0.0	-55.53	440.97	12.11	-43.42
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012492082	0	57	0.0	-71.71	416.37	11.40	-60.31
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012492082	1	57	0.0	-72.18	411.92	11.91	-60.27
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012492083	0	55	0.0	-74.42	403.27	11.40	-63.02
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012492083	1	55	0.0	-72.36	405.53	11.85	-60.51
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012492084	0	56	0.0	-65.72	415.33	7.70	-58.02
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012492084	1	56	0.0	-64.80	417.72	8.28	-56.52
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492085	0	57	0.0	-57.79	429.23	10.90	-46.89
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492085	1	57	0.0	-58.02	432.51	10.29	-47.73
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012492086	0	58	0.0	-59.89	447.17	11.62	-48.27
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012492086	1	58	0.0	-60.14	444.01	12.13	-48.01
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492087	0	58	0.0	-57.76	445.38	10.85	-46.91
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492087	1	58	0.0	-58.09	442.20	11.39	-46.70
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012492088	0	58	0.0	-63.17	427.19	11.92	-51.25
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012492088	1	58	0.0	-62.25	422.78	12.53	-49.72
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492089	0	57	0.0	-67.85	421.16	10.48	-57.37
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492089	1	57	0.0	-69.30	428.29	10.04	-59.26
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012492090	0	58	0.0	-68.02	446.78	11.57	-56.45
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012492090	1	58	0.0	-66.69	444.59	12.22	-54.47
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492091	0	54	0.0	-62.46	397.37	11.13	-51.33
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492091	1	54	0.0	-64.80	401.21	10.48	-54.32
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492092	0	57	0.0	-69.88	428.47	10.68	-59.20
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492092	1	57	0.0	-68.79	432.75	10.23	-58.56
CCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012492093	0	57	0.0	-55.04	414.07	11.83	-43.21
CCN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012492093	1	57	0.0	-56.46	420.24	11.41	-45.05
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012492094	0	61	0.0	-58.02	445.54	12.86	-45.16
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012492094	1	61	0.0	-56.06	441.04	13.49	-42.57
CC(CN(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492095	0	57	0.0	-65.38	417.19	11.57	-53.81
CC(CN(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492095	1	57	0.0	-65.51	421.60	10.94	-54.57
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492096	0	60	0.0	-68.42	439.70	11.12	-57.30
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492096	1	60	0.0	-68.51	440.89	10.39	-58.12
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492097	0	57	0.0	-67.89	415.85	11.98	-55.91
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492097	1	57	0.0	-65.15	422.73	11.61	-53.54
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012492098	0	59	0.0	-63.92	444.37	7.47	-56.45
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012492098	1	59	0.0	-62.80	441.91	8.15	-54.65
CC1CCC(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012492099	0	61	0.0	-74.04	441.81	11.69	-62.35
CC1CCC(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012492099	1	61	0.0	-61.30	447.28	11.15	-50.15
COCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492100	0	58	0.0	-58.29	441.57	9.13	-49.16
COCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492100	1	58	0.0	-58.25	444.74	8.58	-49.67
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012492101	0	61	0.0	-63.71	448.62	11.87	-51.84
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012492101	1	61	0.0	-67.50	440.15	11.67	-55.83
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012492102	0	58	0.0	-59.53	432.70	10.81	-48.72
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012492102	1	58	0.0	-69.94	432.78	11.00	-58.94
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012492103	0	56	0.0	-68.96	420.73	7.85	-61.11
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012492103	1	56	0.0	-68.22	416.15	8.44	-59.78
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012492104	0	59	0.0	-70.78	437.83	8.47	-62.31
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012492104	1	59	0.0	-58.29	441.46	9.30	-48.99
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012492105	0	59	0.0	-78.11	432.10	12.50	-65.61
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012492105	1	59	0.0	-82.92	423.90	12.19	-70.73
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012492106	0	57	0.0	-70.10	424.31	10.26	-59.84
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012492106	1	57	0.0	-73.09	420.00	10.80	-62.29
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCCC(C)C2)C1	REAL300012492107	0	61	0.0	-73.00	438.64	13.60	-59.40
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+]2CCCC(C)C2)C1	REAL300012492107	1	61	0.0	-71.08	437.04	13.23	-57.85
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012492108	0	58	0.0	-58.44	430.98	10.42	-48.02
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012492108	1	58	0.0	-58.72	428.04	10.96	-47.76
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012492109	0	58	0.0	-58.44	430.98	10.42	-48.02
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012492109	1	58	0.0	-58.72	428.04	10.96	-47.76
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCCC(C)C2)C1C(=O)[O-]	REAL300012492110	0	58	0.0	-64.35	426.68	12.24	-52.11
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@H+]2CCCC(C)C2)C1C(=O)[O-]	REAL300012492110	1	58	0.0	-73.86	423.71	11.93	-61.93
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492111	0	55	0.0	-57.74	424.35	9.98	-47.76
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492111	1	55	0.0	-58.00	421.17	10.52	-47.48
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012492112	0	59	0.0	-38.30	424.08	12.37	-25.93
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012492112	1	59	0.0	-38.56	428.03	11.96	-26.60
COC1CC(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012492113	0	59	0.0	-58.63	441.11	9.72	-48.91
COC1CC(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012492113	1	59	0.0	-59.75	443.89	9.04	-50.71
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012492114	0	55	0.0	-61.71	420.84	10.20	-51.51
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012492114	1	55	0.0	-62.90	406.74	10.97	-51.93
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012492115	0	59	0.0	-58.65	441.11	9.73	-48.92
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC=C2C[N@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012492115	1	59	0.0	-68.25	437.28	9.07	-59.18
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492116	0	61	0.0	-75.97	437.03	13.11	-62.86
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492116	1	61	0.0	-76.58	442.90	13.11	-63.47
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012492117	0	53	0.0	-58.16	403.25	7.21	-50.95
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012492117	1	53	0.0	-57.04	400.48	7.90	-49.14
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492118	0	60	0.0	-57.72	429.33	11.18	-46.54
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492118	1	60	0.0	-58.15	430.37	10.46	-47.69
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012492119	0	56	0.0	-71.46	417.66	12.54	-58.92
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012492119	1	56	0.0	-76.38	408.79	12.20	-64.18
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012492120	0	59	0.0	-65.46	426.59	12.15	-53.31
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012492120	1	59	0.0	-64.77	428.43	12.73	-52.04
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492121	0	60	0.0	-55.17	430.24	12.82	-42.35
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492121	1	60	0.0	-56.56	436.02	12.27	-44.29
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012492122	0	55	0.0	-72.94	409.82	11.48	-61.46
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012492122	1	55	0.0	-71.67	412.37	12.09	-59.58
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012492123	0	57	0.0	-55.65	426.16	12.18	-43.47
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012492123	1	57	0.0	-38.54	415.80	11.85	-26.69
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012492124	0	61	0.0	-75.02	442.42	12.35	-62.67
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012492124	1	61	0.0	-74.85	437.85	12.95	-61.90
CC(C)CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492125	0	63	0.0	-57.73	468.43	12.19	-45.54
CC(C)CCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492125	1	63	0.0	-58.70	471.87	11.52	-47.18
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012492126	0	62	0.0	-56.36	459.26	12.81	-43.55
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012492126	1	62	0.0	-54.35	452.62	13.38	-40.97
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012492127	0	62	0.0	-62.89	446.14	12.39	-50.50
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012492127	1	62	0.0	-61.53	443.34	13.08	-48.45
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012492128	0	59	0.0	-61.46	435.03	11.20	-50.26
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012492128	1	59	0.0	-60.17	432.30	11.87	-48.30
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012492129	0	62	0.0	-63.76	460.86	12.04	-51.72
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012492129	1	62	0.0	-63.07	458.07	12.74	-50.33
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012492130	0	61	0.0	-69.73	453.39	11.15	-58.58
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012492130	1	61	0.0	-70.21	448.47	11.70	-58.51
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492131	0	58	0.0	-68.04	436.09	9.27	-58.77
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492131	1	58	0.0	-70.22	441.11	8.77	-61.45
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492132	0	58	0.0	-71.31	422.62	11.35	-59.96
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492132	1	58	0.0	-69.93	425.48	10.71	-59.22
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012492133	0	61	0.0	-38.00	447.94	12.12	-25.88
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012492133	1	61	0.0	-54.70	442.78	12.55	-42.15
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012492134	0	55	0.0	-65.73	421.24	11.36	-54.37
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012492134	1	55	0.0	-65.28	417.17	11.98	-53.30
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012492135	0	62	0.0	-65.92	448.17	12.54	-53.38
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012492135	1	62	0.0	-65.37	443.59	13.14	-52.23
COCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492136	0	61	0.0	-58.19	463.06	9.90	-48.29
COCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492136	1	61	0.0	-58.70	466.48	9.29	-49.41
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492137	0	60	0.0	-55.18	439.31	12.90	-42.28
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492137	1	60	0.0	-56.93	443.17	12.24	-44.69
CCOCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492138	0	58	0.0	-59.39	441.61	9.27	-50.12
CCOCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012492138	1	58	0.0	-60.15	445.02	8.68	-51.47
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012492139	0	63	0.0	-69.69	461.28	11.87	-57.82
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012492139	1	63	0.0	-59.28	459.04	12.46	-46.82
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012492140	0	59	0.0	-71.48	432.76	10.94	-60.54
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012492140	1	59	0.0	-76.83	432.98	10.54	-66.29
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012492141	0	55	0.0	-59.30	431.92	10.02	-49.28
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012492141	1	55	0.0	-69.31	427.05	10.54	-58.77
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012492142	0	58	0.0	-43.81	449.84	12.43	-31.38
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012492142	1	58	0.0	-55.87	445.59	13.04	-42.83
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300012492143	0	54	0.0	-55.96	399.03	10.98	-44.98
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300012492143	1	54	0.0	-56.20	401.82	10.42	-45.78
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492144	0	56	0.0	-69.28	415.98	9.90	-59.38
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492144	1	56	0.0	-69.72	421.95	9.51	-60.21
C=CCOCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492145	0	55	0.0	-70.52	429.87	7.96	-62.56
C=CCOCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492145	1	55	0.0	-69.36	425.05	8.44	-60.92
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492146	0	54	0.0	-69.45	407.77	9.00	-60.45
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492146	1	54	0.0	-57.76	411.41	9.89	-47.87
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012492147	0	58	0.0	-70.29	433.29	8.22	-62.07
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012492147	1	58	0.0	-69.94	424.19	8.65	-61.29
COC1CCN(C(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C(C(=O)[O-])C1	REAL300012492148	0	58	0.0	-77.76	422.35	10.02	-67.74
COC1CCN(C(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C(C(=O)[O-])C1	REAL300012492148	1	58	0.0	-71.73	423.73	10.21	-61.52
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012492149	0	58	0.0	-57.87	427.15	8.07	-49.80
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012492149	1	58	0.0	-56.12	423.61	8.63	-47.49
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012492150	0	57	0.0	-71.67	407.04	11.52	-60.15
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012492150	1	57	0.0	-77.53	405.56	11.30	-66.23
CC1=CC(C)=CC(C(NC(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C(=O)[O-])=C1	REAL300012492151	0	60	0.0	-61.92	462.02	11.65	-50.27
CC1=CC(C)=CC(C(NC(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C(=O)[O-])=C1	REAL300012492151	1	60	0.0	-68.08	457.88	12.06	-56.02
CC1=CC=C(C(NC(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C(=O)[O-])C=C1C	REAL300012492152	0	60	0.0	-62.58	457.86	11.45	-51.13
CC1=CC=C(C(NC(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C(=O)[O-])C=C1C	REAL300012492152	1	60	0.0	-59.95	453.30	12.07	-47.88
CC1=CC=CC(C(NC(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C(=O)[O-])=C1C	REAL300012492153	0	60	0.0	-69.15	449.40	11.27	-57.88
CC1=CC=CC(C(NC(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C(=O)[O-])=C1C	REAL300012492153	1	60	0.0	-67.87	445.05	11.74	-56.13
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492154	0	53	0.0	-55.85	398.03	11.26	-44.59
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492154	1	53	0.0	-58.88	402.69	10.75	-48.13
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012492155	0	57	0.0	-34.14	403.55	11.73	-22.41
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012492155	1	57	0.0	-62.79	413.10	10.88	-51.91
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(COC)C(=O)[O-]	REAL300012492156	0	60	0.0	-61.88	438.18	12.01	-49.87
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(COC)C(=O)[O-]	REAL300012492156	1	60	0.0	-62.87	444.50	11.69	-51.18
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(CC)C(=O)[O-]	REAL300012492157	0	59	0.0	-79.90	433.55	12.44	-67.46
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(CC)C(=O)[O-]	REAL300012492157	1	59	0.0	-62.76	428.48	11.70	-51.06
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492158	0	53	0.0	-70.28	392.85	9.19	-61.09
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492158	1	53	0.0	-58.68	398.38	8.78	-49.90
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012492159	0	54	0.0	-73.84	393.56	11.32	-62.52
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012492159	1	54	0.0	-75.07	388.92	11.81	-63.26
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012492160	0	52	0.0	-70.32	393.01	11.09	-59.23
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012492160	1	52	0.0	-72.24	389.86	11.81	-60.43
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012492161	0	57	0.0	-61.80	412.79	10.39	-51.41
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012492161	1	57	0.0	-62.94	407.31	10.87	-52.07
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCC1C(=O)[O-]	REAL300012492162	0	51	0.0	-74.63	382.02	10.10	-64.53
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCC1C(=O)[O-]	REAL300012492162	1	51	0.0	-75.83	377.89	10.58	-65.25
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012492163	0	54	0.0	-73.56	397.73	9.25	-64.31
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012492163	1	54	0.0	-74.87	393.18	9.76	-65.11
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012492164	0	60	0.0	-62.22	418.41	11.06	-51.16
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012492164	1	60	0.0	-63.71	412.93	11.55	-52.16
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012492165	0	57	0.0	-61.34	441.69	11.19	-50.15
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012492165	1	57	0.0	-60.28	438.30	11.75	-48.53
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012492166	0	57	0.0	-58.61	440.19	13.00	-45.61
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012492166	1	57	0.0	-54.99	435.58	13.52	-41.47
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012492167	0	54	0.0	-61.17	419.20	10.34	-50.83
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012492167	1	54	0.0	-59.06	415.59	10.81	-48.25
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012492168	0	54	0.0	-61.75	419.44	10.24	-51.51
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012492168	1	54	0.0	-59.23	414.95	10.88	-48.35
CCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492169	0	50	0.0	-57.37	378.71	8.77	-48.60
CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492169	1	50	0.0	-59.21	383.02	8.24	-50.97
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492170	0	53	0.0	-70.28	392.85	9.19	-61.09
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492170	1	53	0.0	-58.68	398.38	8.78	-49.90
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)CC(=O)[O-]	REAL300012492171	0	47	0.0	-59.26	359.38	9.01	-50.25
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)CC(=O)[O-]	REAL300012492171	1	47	0.0	-57.46	354.60	9.57	-47.89
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012492172	0	57	0.0	-61.34	441.69	11.19	-50.15
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012492172	1	57	0.0	-60.28	438.30	11.75	-48.53
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)C(=O)[O-]	REAL300012492173	0	47	0.0	-55.34	361.75	7.12	-48.22
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)C(=O)[O-]	REAL300012492173	1	47	0.0	-50.98	357.10	7.64	-43.34
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492174	0	56	0.0	-70.81	410.88	9.85	-60.96
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492174	1	56	0.0	-68.40	415.46	9.34	-59.06
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)CC(=O)[O-]	REAL300012492175	0	47	0.0	-59.26	359.38	9.01	-50.25
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)CC(=O)[O-]	REAL300012492175	1	47	0.0	-57.46	354.60	9.57	-47.89
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012492176	0	54	0.0	-73.84	393.56	11.32	-62.52
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012492176	1	54	0.0	-75.07	388.92	11.81	-63.26
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492177	0	56	0.0	-69.24	404.61	9.79	-59.45
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492177	1	56	0.0	-68.96	408.89	9.31	-59.65
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492178	0	53	0.0	-62.65	389.20	10.07	-52.58
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492178	1	53	0.0	-58.28	390.88	10.25	-48.03
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012492179	0	51	0.0	-58.09	384.74	10.40	-47.69
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012492179	1	51	0.0	-54.96	377.81	10.82	-44.14
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492180	0	51	0.0	-58.53	394.00	10.56	-47.97
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492180	1	51	0.0	-55.34	389.46	11.07	-44.27
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492181	0	56	0.0	-56.31	410.70	11.74	-44.57
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492181	1	56	0.0	-58.62	417.10	11.06	-47.56
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012492182	0	58	0.0	-71.91	431.50	13.36	-58.55
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012492182	1	58	0.0	-70.14	426.95	13.72	-56.42
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)(C)C(=O)[O-]	REAL300012492183	0	50	0.0	-55.47	374.01	7.55	-47.92
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)(C)C(=O)[O-]	REAL300012492183	1	50	0.0	-51.72	369.73	8.04	-43.68
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012492184	0	54	0.0	-59.72	396.90	9.30	-50.42
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012492184	1	54	0.0	-60.64	391.37	9.82	-50.82
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012492185	0	51	0.0	-66.95	410.40	9.37	-57.58
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012492185	1	51	0.0	-65.64	406.68	9.82	-55.82
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012492186	0	57	0.0	-61.80	412.79	10.39	-51.41
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012492186	1	57	0.0	-62.94	407.31	10.87	-52.07
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492187	0	53	0.0	-62.65	389.20	10.07	-52.58
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492187	1	53	0.0	-58.28	390.88	10.25	-48.03
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492188	0	53	0.0	-55.85	398.03	11.26	-44.59
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492188	1	53	0.0	-58.88	402.69	10.75	-48.13
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492189	0	50	0.0	-57.41	376.36	10.55	-46.86
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492189	1	50	0.0	-59.16	381.19	9.99	-49.17
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492190	0	56	0.0	-68.72	409.23	9.65	-59.07
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492190	1	56	0.0	-68.84	412.84	9.12	-59.72
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012492191	0	54	0.0	-73.56	397.73	9.25	-64.31
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012492191	1	54	0.0	-74.87	393.18	9.76	-65.11
CCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492192	0	53	0.0	-68.98	383.11	9.04	-59.94
CCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492192	1	53	0.0	-68.57	387.39	8.55	-60.02
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012492193	0	58	0.0	-62.09	437.37	11.44	-50.65
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012492193	1	58	0.0	-62.36	431.89	11.95	-50.41
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012492194	0	57	0.0	-61.05	427.22	11.02	-50.03
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012492194	1	57	0.0	-62.74	421.98	11.53	-51.21
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@@H](C)C(=O)[O-]	REAL300012492195	0	47	0.0	-58.21	361.43	7.16	-51.05
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@@H](C)C(=O)[O-]	REAL300012492195	1	47	0.0	-55.32	357.68	7.72	-47.60
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492196	0	50	0.0	-57.41	376.36	10.55	-46.86
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492196	1	50	0.0	-59.16	381.19	9.99	-49.17
CCCCCCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492197	0	65	0.0	-69.51	469.11	12.13	-57.38
CCCCCCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492197	1	65	0.0	-69.17	473.39	11.64	-57.53
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012492198	0	60	0.0	-59.34	450.26	13.12	-46.22
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012492198	1	60	0.0	-55.97	445.65	13.64	-42.33
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H](C)C(=O)[O-]	REAL300012492199	0	47	0.0	-54.79	361.44	7.17	-47.62
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H](C)C(=O)[O-]	REAL300012492199	1	47	0.0	-51.21	357.85	7.69	-43.52
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC1	REAL300012492200	0	48	0.0	-65.76	367.59	8.38	-57.38
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC1	REAL300012492200	1	48	0.0	-65.39	363.13	8.92	-56.47
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012492201	0	52	0.0	-69.52	384.49	8.81	-60.71
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012492201	1	52	0.0	-72.98	381.23	9.36	-63.62
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012492202	0	60	0.0	-62.81	422.03	11.70	-51.11
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012492202	1	60	0.0	-63.83	416.08	12.11	-51.72
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012492203	0	51	0.0	-60.95	389.64	8.67	-52.28
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012492203	1	51	0.0	-58.06	383.82	9.20	-48.86
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012492204	0	60	0.0	-59.78	462.60	13.78	-46.00
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012492204	1	60	0.0	-56.62	457.99	14.30	-42.32
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012492205	0	57	0.0	-60.38	426.36	11.84	-48.54
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012492205	1	57	0.0	-58.79	423.67	12.49	-46.30
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492206	0	54	0.0	-55.98	408.21	9.72	-46.26
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492206	1	54	0.0	-59.43	412.56	9.18	-50.25
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012492207	0	58	0.0	-64.32	434.14	11.34	-52.98
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012492207	1	58	0.0	-65.27	428.86	11.86	-53.41
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012492208	0	51	0.0	-65.12	382.86	9.77	-55.35
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012492208	1	51	0.0	-66.09	377.02	10.24	-55.85
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012492209	0	54	0.0	-71.26	392.85	11.05	-60.21
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012492209	1	54	0.0	-77.35	391.43	10.86	-66.49
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)[C@H](C)C(=O)[O-]	REAL300012492210	0	50	0.0	-57.19	373.22	9.19	-48.00
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)[C@H](C)C(=O)[O-]	REAL300012492210	1	50	0.0	-53.69	366.68	9.62	-44.07
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012492211	0	51	0.0	-74.59	382.10	10.08	-64.51
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012492211	1	51	0.0	-75.60	377.93	10.59	-65.01
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC1	REAL300012492212	0	51	0.0	-63.76	384.42	8.90	-54.86
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC1	REAL300012492212	1	51	0.0	-64.82	379.70	9.45	-55.37
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492213	0	51	0.0	-67.98	395.74	8.63	-59.35
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492213	1	51	0.0	-68.96	390.63	9.14	-59.82
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012492214	0	54	0.0	-75.27	399.09	10.64	-64.63
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012492214	1	54	0.0	-76.97	395.01	11.14	-65.83
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012492215	0	57	0.0	-66.91	407.32	12.03	-54.88
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012492215	1	57	0.0	-80.63	404.53	11.56	-69.07
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012492216	0	51	0.0	-60.95	389.64	8.67	-52.28
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012492216	1	51	0.0	-58.06	383.82	9.20	-48.86
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C(C)C(=O)[O-]	REAL300012492217	0	50	0.0	-65.16	373.22	9.19	-55.97
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C(C)C(=O)[O-]	REAL300012492217	1	50	0.0	-53.75	368.97	9.75	-44.00
CCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492218	0	56	0.0	-57.25	421.70	10.32	-46.93
CCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492218	1	56	0.0	-59.12	426.02	9.78	-49.34
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012492219	0	60	0.0	-59.78	462.60	13.78	-46.00
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012492219	1	60	0.0	-56.62	457.99	14.30	-42.32
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012492220	0	54	0.0	-75.25	399.20	10.62	-64.63
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012492220	1	54	0.0	-76.91	395.08	11.12	-65.79
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012492221	0	57	0.0	-58.75	417.52	11.57	-47.18
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012492221	1	57	0.0	-55.87	413.33	12.11	-43.76
COCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492222	0	51	0.0	-69.73	390.78	6.90	-62.83
COCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492222	1	51	0.0	-70.29	394.63	6.40	-63.89
CCCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492223	0	59	0.0	-57.08	443.20	11.10	-45.98
CCCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492223	1	59	0.0	-59.03	447.51	10.56	-48.47
CCC1CCC(NC(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)(C(=O)[O-])CC1	REAL300012492224	0	63	0.0	-62.99	446.41	12.13	-50.86
CCC1CCC(NC(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)(C(=O)[O-])CC1	REAL300012492224	1	63	0.0	-61.63	451.84	11.64	-49.99
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012492225	0	58	0.0	-58.99	425.97	9.90	-49.09
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012492225	1	58	0.0	-56.24	421.31	10.41	-45.83
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012492226	0	57	0.0	-64.48	410.24	11.21	-53.27
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012492226	1	57	0.0	-78.10	403.79	11.47	-66.63
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012492227	0	54	0.0	-60.26	399.65	10.57	-49.69
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012492227	1	54	0.0	-59.73	389.99	10.07	-49.66
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C1CC1	REAL300012492228	0	57	0.0	-48.42	418.32	11.54	-36.88
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C1CC1	REAL300012492228	1	57	0.0	-70.05	414.21	11.70	-58.35
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012492229	0	54	0.0	-74.32	423.84	10.35	-63.97
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012492229	1	54	0.0	-73.05	418.65	10.82	-62.23
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012492230	0	58	0.0	-59.73	434.24	12.68	-47.05
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012492230	1	58	0.0	-51.11	432.65	12.41	-38.70
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012492231	0	63	0.0	-60.36	463.63	11.39	-48.97
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012492231	1	63	0.0	-71.71	458.82	11.86	-59.85
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012492232	0	60	0.0	-59.08	448.26	13.65	-45.43
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012492232	1	60	0.0	-58.42	435.78	13.98	-44.44
CC1=CC=C(C(NC(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C(=O)[O-])C=C1	REAL300012492233	0	57	0.0	-68.91	440.83	10.93	-57.98
CC1=CC=C(C(NC(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C(=O)[O-])C=C1	REAL300012492233	1	57	0.0	-67.05	436.25	11.49	-55.56
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012492234	0	50	0.0	-61.74	398.36	8.90	-52.84
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012492234	1	50	0.0	-66.25	397.30	8.67	-57.58
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012492235	0	55	0.0	-69.30	410.45	10.08	-59.22
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012492235	1	55	0.0	-71.57	401.98	10.52	-61.05
COCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492236	0	54	0.0	-73.22	401.36	8.32	-64.90
COCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492236	1	54	0.0	-72.79	405.64	7.83	-64.96
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492237	0	57	0.0	-54.84	420.92	10.09	-44.75
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492237	1	57	0.0	-58.93	426.25	9.59	-49.34
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492238	0	56	0.0	-56.31	410.70	11.74	-44.57
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492238	1	56	0.0	-58.62	417.10	11.06	-47.56
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012492239	0	51	0.0	-58.09	384.74	10.40	-47.69
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012492239	1	51	0.0	-54.96	377.81	10.82	-44.14
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012492240	0	53	0.0	-59.48	420.82	11.13	-48.35
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012492240	1	53	0.0	-57.01	416.17	11.64	-45.37
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012492241	0	52	0.0	-67.45	388.91	6.69	-60.76
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012492241	1	52	0.0	-59.86	383.29	7.19	-52.67
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012492242	0	60	0.0	-60.28	436.35	10.47	-49.81
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012492242	1	60	0.0	-58.20	432.05	10.99	-47.21
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012492243	0	61	0.0	-67.99	452.00	10.96	-57.03
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012492243	1	61	0.0	-57.30	448.06	11.48	-45.82
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012492244	0	55	0.0	-72.66	404.20	7.89	-64.77
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012492244	1	55	0.0	-62.51	398.73	8.42	-54.09
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492245	0	54	0.0	-59.68	417.57	9.50	-50.18
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492245	1	54	0.0	-58.21	414.18	10.07	-48.14
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CF)C(=O)[O-]	REAL300012492246	0	47	0.0	-55.04	365.05	7.17	-47.87
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CF)C(=O)[O-]	REAL300012492246	1	47	0.0	-52.90	360.19	7.68	-45.22
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012492247	0	60	0.0	-36.65	445.61	13.72	-22.93
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012492247	1	60	0.0	-39.96	448.91	13.77	-26.19
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C(C)C(=O)[O-]	REAL300012492248	0	50	0.0	-65.16	373.22	9.19	-55.97
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C(C)C(=O)[O-]	REAL300012492248	1	50	0.0	-53.75	368.97	9.75	-44.00
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492249	0	56	0.0	-60.05	398.27	9.93	-50.12
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492249	1	56	0.0	-70.44	404.07	9.44	-61.00
COC1=CC=C(C(NC(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C(=O)[O-])C=C1	REAL300012492250	0	58	0.0	-67.05	444.54	10.02	-57.03
COC1=CC=C(C(NC(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C(=O)[O-])C=C1	REAL300012492250	1	58	0.0	-68.61	448.89	9.56	-59.05
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492251	0	56	0.0	-55.90	405.20	11.80	-44.10
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492251	1	56	0.0	-58.47	411.91	11.33	-47.14
CCC(COC)(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492252	0	57	0.0	-77.52	414.40	9.03	-68.49
CCC(COC)(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492252	1	57	0.0	-74.85	422.31	8.74	-66.11
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492253	0	60	0.0	-55.20	441.20	10.84	-44.36
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492253	1	60	0.0	-58.90	446.53	10.34	-48.56
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012492254	0	54	0.0	-59.13	415.13	9.69	-49.44
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012492254	1	54	0.0	-58.48	412.01	10.15	-48.33
COCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492255	0	54	0.0	-58.38	413.54	7.81	-50.57
COCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492255	1	54	0.0	-60.02	416.93	7.23	-52.79
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492256	0	59	0.0	-67.19	424.55	12.15	-55.04
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492256	1	59	0.0	-68.34	432.49	11.62	-56.72
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012492257	0	50	0.0	-55.17	393.64	8.76	-46.41
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012492257	1	50	0.0	-58.75	392.22	9.02	-49.73
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492258	0	60	0.0	-65.69	428.39	12.77	-52.92
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492258	1	60	0.0	-63.14	434.34	12.30	-50.84
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(C)C(=O)[O-]	REAL300012492259	0	56	0.0	-77.79	413.11	11.38	-66.41
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(C)C(=O)[O-]	REAL300012492259	1	56	0.0	-60.94	412.32	10.73	-50.21
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012492260	0	60	0.0	-36.53	444.19	13.82	-22.71
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012492260	1	60	0.0	-38.60	444.41	13.62	-24.98
CCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012492261	0	60	0.0	-62.93	438.75	12.42	-50.51
CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012492261	1	60	0.0	-61.47	444.19	11.93	-49.54
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012492262	0	50	0.0	-58.76	389.85	8.31	-50.45
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012492262	1	50	0.0	-56.17	385.30	8.91	-47.26
COC1(CC(NC(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C(=O)[O-])CCC1	REAL300012492263	0	61	0.0	-59.66	449.73	9.73	-49.93
COC1(CC(NC(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C(=O)[O-])CCC1	REAL300012492263	1	61	0.0	-71.08	452.88	9.50	-61.58
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012492264	0	58	0.0	-58.99	425.97	9.90	-49.09
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012492264	1	58	0.0	-56.24	421.31	10.41	-45.83
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012492265	0	60	0.0	-58.95	434.93	12.27	-46.68
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012492265	1	60	0.0	-56.12	431.33	12.82	-43.30
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012492266	0	60	0.0	-61.75	426.58	10.78	-50.97
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012492266	1	60	0.0	-77.79	423.22	11.15	-66.64
COC1=CC=CC(C(NC(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C(=O)[O-])=C1	REAL300012492267	0	58	0.0	-62.11	444.38	10.15	-51.96
COC1=CC=CC(C(NC(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C(=O)[O-])=C1	REAL300012492267	1	58	0.0	-63.60	448.70	9.62	-53.98
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012492268	0	53	0.0	-65.94	393.99	8.69	-57.25
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012492268	1	53	0.0	-66.12	389.71	9.18	-56.94
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012492269	0	55	0.0	-60.22	417.08	10.88	-49.34
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012492269	1	55	0.0	-56.16	412.08	11.32	-44.84
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012492270	0	51	0.0	-60.78	397.13	9.84	-50.94
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012492270	1	51	0.0	-60.61	390.12	10.42	-50.19
COC1=CC=CC([C@H](NC(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C(=O)[O-])=C1	REAL300012492271	0	58	0.0	-69.57	445.30	10.07	-59.50
COC1=CC=CC([C@H](NC(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C(=O)[O-])=C1	REAL300012492271	1	58	0.0	-70.82	448.90	9.55	-61.27
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300012492272	0	50	0.0	-65.21	373.35	9.25	-55.96
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300012492272	1	50	0.0	-63.85	369.45	9.74	-54.11
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012492273	0	63	0.0	-62.69	440.67	11.26	-51.43
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012492273	1	63	0.0	-64.05	435.53	11.74	-52.31
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012492274	0	52	0.0	-74.82	390.44	10.68	-64.14
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012492274	1	52	0.0	-78.39	383.78	11.02	-67.37
COC1CN(C(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C(C)(C(=O)[O-])C1	REAL300012492275	0	58	0.0	-64.00	427.39	10.19	-53.81
COC1CN(C(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C(C)(C(=O)[O-])C1	REAL300012492275	1	58	0.0	-62.36	431.93	9.68	-52.68
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012492276	0	61	0.0	-66.53	450.18	9.76	-56.77
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012492276	1	61	0.0	-71.38	448.72	9.43	-61.95
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012492277	0	56	0.0	-69.26	412.43	9.31	-59.95
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012492277	1	56	0.0	-73.01	409.85	9.79	-63.22
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492278	0	51	0.0	-69.29	412.52	9.23	-60.06
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492278	1	51	0.0	-73.67	409.80	9.04	-64.63
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492279	0	54	0.0	-68.86	416.28	9.39	-59.47
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492279	1	54	0.0	-73.47	414.39	9.18	-64.29
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012492280	0	55	0.0	-74.03	401.81	11.56	-62.47
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012492280	1	55	0.0	-83.31	398.90	11.50	-71.81
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012492281	0	51	0.0	-67.02	395.04	10.26	-56.76
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012492281	1	51	0.0	-67.89	389.26	10.74	-57.15
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012492282	0	51	0.0	-72.99	388.58	10.17	-62.82
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012492282	1	51	0.0	-73.72	384.44	10.68	-63.04
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C1	REAL300012492283	0	52	0.0	-74.59	396.32	10.14	-64.45
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C1	REAL300012492283	1	52	0.0	-75.62	391.86	10.64	-64.98
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012492284	0	61	0.0	-61.18	454.72	8.99	-52.19
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012492284	1	61	0.0	-74.62	445.97	9.30	-65.32
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492285	0	56	0.0	-69.28	415.98	9.90	-59.38
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492285	1	56	0.0	-69.72	421.95	9.51	-60.21
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012492286	0	58	0.0	-70.29	433.29	8.22	-62.07
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012492286	1	58	0.0	-69.94	424.19	8.65	-61.29
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012492287	0	54	0.0	-61.75	419.44	10.24	-51.51
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012492287	1	54	0.0	-59.23	414.95	10.88	-48.35
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012492288	0	54	0.0	-59.13	415.13	9.69	-49.44
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012492288	1	54	0.0	-58.48	412.01	10.15	-48.33
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012492289	0	53	0.0	-66.23	427.38	8.38	-57.85
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012492289	1	53	0.0	-71.15	426.33	8.16	-62.99
CC(C)CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492290	0	62	0.0	-57.14	460.77	11.62	-45.52
CC(C)CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492290	1	62	0.0	-59.05	465.08	11.08	-47.97
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012492291	0	58	0.0	-64.33	439.46	8.57	-55.76
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012492291	1	58	0.0	-63.24	436.08	9.13	-54.11
CSCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492292	0	51	0.0	-65.73	401.74	9.08	-56.65
CSCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492292	1	51	0.0	-65.52	406.73	8.59	-56.93
COC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492293	0	51	0.0	-69.68	391.02	6.94	-62.74
COC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492293	1	51	0.0	-70.58	395.12	6.41	-64.17
CC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492294	0	50	0.0	-69.04	376.22	8.52	-60.52
CC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492294	1	50	0.0	-69.06	383.26	8.17	-60.89
CCC(C)CC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492295	0	59	0.0	-60.29	436.74	10.70	-49.59
CCC(C)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492295	1	59	0.0	-59.58	440.07	10.20	-49.38
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492296	0	57	0.0	-59.08	438.83	10.35	-48.73
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492296	1	57	0.0	-57.27	434.51	10.88	-46.39
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012492297	0	52	0.0	-70.32	393.01	11.09	-59.23
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012492297	1	52	0.0	-72.24	389.86	11.81	-60.43
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012492298	0	57	0.0	-61.05	427.22	11.02	-50.03
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012492298	1	57	0.0	-62.74	421.98	11.53	-51.21
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012492299	0	51	0.0	-65.12	382.86	9.77	-55.35
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012492299	1	51	0.0	-66.09	377.02	10.24	-55.85
CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492300	0	53	0.0	-58.52	401.37	9.51	-49.01
CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492300	1	53	0.0	-59.86	404.76	8.94	-50.92
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492301	0	53	0.0	-57.37	391.56	9.05	-48.32
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492301	1	53	0.0	-60.12	400.31	8.76	-51.36
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012492302	0	55	0.0	-77.68	403.52	11.64	-66.04
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012492302	1	55	0.0	-80.42	400.35	12.27	-68.15
CCN(C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(C)(C)C(=O)[O-]	REAL300012492303	0	56	0.0	-75.09	403.94	11.44	-63.65
CCN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(C)(C)C(=O)[O-]	REAL300012492303	1	56	0.0	-73.72	408.10	10.94	-62.78
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(C)C(=O)[O-]	REAL300012492304	0	56	0.0	-77.79	413.11	11.38	-66.41
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(C)C(=O)[O-]	REAL300012492304	1	56	0.0	-60.94	412.32	10.73	-50.21
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012492305	0	50	0.0	-56.89	395.81	10.50	-46.39
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012492305	1	50	0.0	-55.26	390.99	11.07	-44.19
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012492306	0	50	0.0	-56.89	395.81	10.50	-46.39
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012492306	1	50	0.0	-55.26	390.99	11.07	-44.19
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300012492307	0	53	0.0	-72.84	388.41	10.11	-62.73
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300012492307	1	53	0.0	-74.08	384.48	10.58	-63.50
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012492308	0	51	0.0	-74.59	382.10	10.08	-64.51
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012492308	1	51	0.0	-75.60	377.93	10.59	-65.01
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012492309	0	52	0.0	-66.50	394.12	6.38	-60.12
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012492309	1	52	0.0	-67.05	388.26	6.88	-60.17
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492310	0	58	0.0	-55.89	436.28	13.14	-42.75
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492310	1	58	0.0	-52.08	431.65	13.58	-38.50
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492311	0	53	0.0	-58.50	401.37	9.49	-49.01
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492311	1	53	0.0	-59.10	404.51	9.01	-50.09
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012492312	0	54	0.0	-61.17	419.20	10.34	-50.83
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012492312	1	54	0.0	-59.06	415.59	10.81	-48.25
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012492313	0	59	0.0	-71.07	459.55	10.19	-60.88
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012492313	1	59	0.0	-71.81	452.64	10.66	-61.15
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492314	0	54	0.0	-59.68	417.57	9.50	-50.18
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492314	1	54	0.0	-58.21	414.18	10.07	-48.14
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012492315	0	53	0.0	-62.05	427.97	8.25	-53.80
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012492315	1	53	0.0	-60.59	423.70	8.79	-51.80
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012492316	0	54	0.0	-80.15	412.50	7.66	-72.49
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012492316	1	54	0.0	-85.57	412.10	7.47	-78.10
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012492317	0	55	0.0	-65.86	409.76	9.34	-56.52
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012492317	1	55	0.0	-64.73	403.66	9.78	-54.95
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012492318	0	54	0.0	-64.01	399.18	10.64	-53.37
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012492318	1	54	0.0	-65.03	393.71	11.13	-53.90
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492319	0	53	0.0	-70.25	394.23	9.22	-61.03
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492319	1	53	0.0	-68.24	394.38	8.48	-59.76
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012492320	0	54	0.0	-68.94	419.38	10.24	-58.70
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012492320	1	54	0.0	-67.01	414.46	10.77	-56.24
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012492321	0	57	0.0	-62.71	428.87	9.59	-53.12
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012492321	1	57	0.0	-70.39	430.45	10.20	-60.19
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300012492322	0	50	0.0	-65.21	373.35	9.25	-55.96
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300012492322	1	50	0.0	-63.85	369.45	9.74	-54.11
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492323	0	53	0.0	-69.18	397.63	9.30	-59.88
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492323	1	53	0.0	-68.62	403.92	8.95	-59.67
CCN(C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(C)C(=O)[O-]	REAL300012492324	0	53	0.0	-67.24	385.51	10.45	-56.79
CCN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(C)C(=O)[O-]	REAL300012492324	1	53	0.0	-66.90	392.10	10.13	-56.77
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012492325	0	57	0.0	-58.75	417.52	11.57	-47.18
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012492325	1	57	0.0	-55.87	413.33	12.11	-43.76
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)CC(C)C(=O)[O-]	REAL300012492326	0	53	0.0	-66.17	394.49	9.68	-56.49
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)CC(C)C(=O)[O-]	REAL300012492326	1	53	0.0	-67.47	389.09	10.12	-57.35
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492327	0	56	0.0	-68.72	409.23	9.65	-59.07
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492327	1	56	0.0	-68.84	412.84	9.12	-59.72
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492328	0	53	0.0	-66.59	386.94	10.65	-55.94
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492328	1	53	0.0	-66.52	393.68	10.17	-56.35
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012492329	0	55	0.0	-78.07	415.03	6.07	-72.00
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012492329	1	55	0.0	-65.44	411.97	6.73	-58.71
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012492330	0	63	0.0	-71.25	465.94	9.52	-61.73
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012492330	1	63	0.0	-72.14	461.58	9.67	-62.47
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012492331	0	57	0.0	-62.32	419.34	9.92	-52.40
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012492331	1	57	0.0	-63.24	413.82	10.41	-52.83
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012492332	0	60	0.0	-73.83	428.79	10.65	-63.18
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012492332	1	60	0.0	-75.38	423.93	11.13	-64.25
COCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492333	0	54	0.0	-58.38	413.54	7.81	-50.57
COCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492333	1	54	0.0	-60.02	416.93	7.23	-52.79
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012492334	0	60	0.0	-59.34	450.26	13.12	-46.22
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012492334	1	60	0.0	-55.97	445.65	13.64	-42.33
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012492335	0	57	0.0	-73.94	420.58	10.60	-63.34
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012492335	1	57	0.0	-66.00	416.74	11.14	-54.86
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012492336	0	54	0.0	-60.55	404.72	9.52	-51.03
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012492336	1	54	0.0	-58.99	403.06	10.09	-48.90
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012492337	0	63	0.0	-60.32	467.15	9.46	-50.86
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012492337	1	63	0.0	-58.16	463.70	9.99	-48.17
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012492338	0	52	0.0	-70.21	392.78	6.58	-63.63
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012492338	1	52	0.0	-70.69	386.43	7.04	-63.65
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012492339	0	55	0.0	-58.80	410.50	7.11	-51.69
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012492339	1	55	0.0	-55.83	406.90	7.75	-48.08
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012492340	0	55	0.0	-78.54	403.73	11.25	-67.29
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012492340	1	55	0.0	-80.96	397.85	11.66	-69.30
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012492341	0	53	0.0	-71.01	396.20	8.98	-62.03
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012492341	1	53	0.0	-73.24	390.08	9.22	-64.02
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012492342	0	57	0.0	-72.21	414.38	11.98	-60.23
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012492342	1	57	0.0	-73.14	410.16	12.53	-60.61
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012492343	0	60	0.0	-59.49	456.77	11.55	-47.94
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012492343	1	60	0.0	-57.49	453.59	12.15	-45.34
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012492344	0	61	0.0	-69.45	455.97	11.32	-58.13
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012492344	1	61	0.0	-69.30	450.98	11.82	-57.48
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012492345	0	54	0.0	-60.64	410.03	9.22	-51.42
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012492345	1	54	0.0	-57.20	398.65	9.67	-47.53
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012492346	0	60	0.0	-60.28	436.35	10.47	-49.81
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012492346	1	60	0.0	-58.20	432.05	10.99	-47.21
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012492347	0	54	0.0	-60.64	410.03	9.22	-51.42
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012492347	1	54	0.0	-57.20	398.65	9.67	-47.53
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012492348	0	54	0.0	-65.49	398.21	10.24	-55.25
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012492348	1	54	0.0	-66.03	391.26	10.70	-55.33
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492349	0	51	0.0	-67.98	395.74	8.63	-59.35
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492349	1	51	0.0	-68.96	390.63	9.14	-59.82
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012492350	0	61	0.0	-73.07	457.21	9.42	-63.65
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012492350	1	61	0.0	-56.17	450.99	10.51	-45.66
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012492351	0	61	0.0	-36.87	424.29	11.78	-25.09
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012492351	1	61	0.0	-39.05	422.64	11.42	-27.63
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012492352	0	61	0.0	-61.99	433.30	9.19	-52.80
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012492352	1	61	0.0	-63.16	427.62	9.62	-53.54
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012492353	0	55	0.0	-40.00	400.64	10.99	-29.01
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012492353	1	55	0.0	-41.68	397.87	10.63	-31.05
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012492354	0	61	0.0	-69.45	455.97	11.32	-58.13
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012492354	1	61	0.0	-69.30	450.98	11.82	-57.48
COC1CC(NC(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)(C(=O)[O-])C1	REAL300012492355	0	55	0.0	-67.16	412.67	8.38	-58.78
COC1CC(NC(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)(C(=O)[O-])C1	REAL300012492355	1	55	0.0	-66.14	417.75	7.85	-58.29
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012492356	0	51	0.0	-62.28	392.91	8.90	-53.38
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012492356	1	51	0.0	-64.21	388.77	9.46	-54.75
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)(C(=O)[O-])C1	REAL300012492357	0	55	0.0	-68.92	411.73	8.24	-60.68
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)(C(=O)[O-])C1	REAL300012492357	1	55	0.0	-70.36	416.72	8.13	-62.23
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492358	0	57	0.0	-64.75	406.19	11.81	-52.94
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492358	1	57	0.0	-63.86	414.91	11.78	-52.08
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012492359	0	50	0.0	-61.74	398.36	8.90	-52.84
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012492359	1	50	0.0	-66.25	397.30	8.67	-57.58
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012492360	0	58	0.0	-61.37	436.83	8.27	-53.10
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012492360	1	58	0.0	-61.05	433.70	8.75	-52.30
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])COC1	REAL300012492361	0	49	0.0	-58.93	375.23	5.93	-53.00
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])COC1	REAL300012492361	1	49	0.0	-60.19	371.15	6.49	-53.70
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012492362	0	54	0.0	-70.64	433.56	10.24	-60.40
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012492362	1	54	0.0	-75.48	430.87	10.05	-65.43
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012492363	0	56	0.0	-59.07	404.13	9.24	-49.83
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012492363	1	56	0.0	-70.32	399.85	9.73	-60.59
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012492364	0	52	0.0	-72.43	389.34	11.28	-61.15
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012492364	1	52	0.0	-78.46	386.88	11.01	-67.45
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012492365	0	55	0.0	-66.00	405.33	10.85	-55.15
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012492365	1	55	0.0	-66.91	398.57	11.34	-55.57
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012492366	0	60	0.0	-36.53	444.19	13.82	-22.71
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012492366	1	60	0.0	-38.60	444.41	13.62	-24.98
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012492367	0	63	0.0	-60.36	463.63	11.39	-48.97
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012492367	1	63	0.0	-71.71	458.82	11.86	-59.85
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012492368	0	60	0.0	-69.41	463.82	11.97	-57.44
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012492368	1	60	0.0	-70.35	458.58	12.31	-58.04
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012492369	0	60	0.0	-60.30	464.43	12.04	-48.26
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012492369	1	60	0.0	-58.95	460.73	12.57	-46.38
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012492370	0	61	0.0	-60.82	445.06	11.04	-49.78
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012492370	1	61	0.0	-58.92	441.71	11.58	-47.34
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012492371	0	63	0.0	-59.67	463.34	11.44	-48.23
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012492371	1	63	0.0	-60.21	460.51	11.97	-48.24
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012492372	0	63	0.0	-70.57	463.64	11.39	-59.18
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012492372	1	63	0.0	-71.35	457.92	11.86	-59.49
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012492373	0	61	0.0	-39.54	439.90	11.91	-27.63
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012492373	1	61	0.0	-41.26	437.09	11.56	-29.70
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012492374	0	61	0.0	-66.73	441.77	12.00	-54.73
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012492374	1	61	0.0	-67.72	434.74	12.42	-55.30
C=CCSCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492375	0	55	0.0	-65.41	441.00	10.04	-55.37
C=CCSCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492375	1	55	0.0	-65.19	435.34	10.56	-54.63
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492376	0	56	0.0	-54.03	402.64	11.49	-42.54
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492376	1	56	0.0	-57.69	407.46	10.88	-46.81
COC1(C(NC(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C(=O)[O-])CCC1	REAL300012492377	0	58	0.0	-65.34	426.64	8.40	-56.94
COC1(C(NC(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C(=O)[O-])CCC1	REAL300012492377	1	58	0.0	-65.75	430.19	7.81	-57.94
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012492378	0	54	0.0	-76.97	416.31	9.72	-67.25
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012492378	1	54	0.0	-66.65	411.55	10.30	-56.35
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012492380	0	51	0.0	-72.99	388.58	10.17	-62.82
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012492380	1	51	0.0	-73.72	384.44	10.68	-63.04
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012492381	0	53	0.0	-56.95	398.19	10.89	-46.06
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012492381	1	53	0.0	-53.69	392.40	11.31	-42.38
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012492382	0	57	0.0	-66.25	418.26	10.71	-55.54
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012492382	1	57	0.0	-67.49	412.48	11.22	-56.27
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012492383	0	61	0.0	-69.20	438.54	12.77	-56.43
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012492383	1	61	0.0	-75.57	437.18	12.56	-63.01
CC(C)CCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492384	0	59	0.0	-58.55	440.44	10.81	-47.74
CC(C)CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492384	1	59	0.0	-59.96	443.82	10.23	-49.73
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012492385	0	58	0.0	-57.19	429.88	11.52	-45.67
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012492385	1	58	0.0	-41.36	422.04	11.09	-30.27
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012492386	0	58	0.0	-61.37	436.83	8.27	-53.10
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012492386	1	58	0.0	-61.05	433.70	8.75	-52.30
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C1	REAL300012492387	0	55	0.0	-72.73	420.59	11.50	-61.23
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C1	REAL300012492387	1	55	0.0	-71.86	426.38	11.06	-60.80
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012492388	0	58	0.0	-76.17	418.64	11.03	-65.14
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012492388	1	58	0.0	-79.68	413.06	11.50	-68.18
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012492389	0	55	0.0	-75.25	405.75	10.13	-65.12
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012492389	1	55	0.0	-77.58	401.37	10.65	-66.93
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012492390	0	58	0.0	-62.21	427.02	10.52	-51.69
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012492390	1	58	0.0	-62.89	422.32	11.07	-51.82
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012492391	0	60	0.0	-59.18	452.28	13.25	-45.93
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012492391	1	60	0.0	-56.35	446.40	13.59	-42.76
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012492392	0	57	0.0	-59.90	425.04	9.91	-49.99
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012492392	1	57	0.0	-59.58	423.33	10.43	-49.15
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492393	0	54	0.0	-69.31	407.37	7.81	-61.50
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492393	1	54	0.0	-70.63	413.26	7.43	-63.20
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012492394	0	54	0.0	-66.64	406.32	9.92	-56.72
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012492394	1	54	0.0	-67.47	401.96	10.42	-57.05
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012492395	0	57	0.0	-58.61	440.19	13.00	-45.61
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012492395	1	57	0.0	-54.99	435.58	13.52	-41.47
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012492396	0	57	0.0	-39.52	417.56	10.75	-28.77
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012492396	1	57	0.0	-41.41	415.11	10.41	-31.00
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012492397	0	54	0.0	-69.72	404.28	11.18	-58.54
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012492397	1	54	0.0	-75.94	402.73	11.08	-64.86
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012492398	0	51	0.0	-68.06	394.58	9.90	-58.16
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012492398	1	51	0.0	-79.41	390.21	10.78	-68.63
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012492399	0	54	0.0	-59.17	432.28	10.20	-48.97
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012492399	1	54	0.0	-58.81	429.16	10.68	-48.13
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012492400	0	54	0.0	-67.19	411.21	10.76	-56.43
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012492400	1	54	0.0	-68.25	404.93	11.21	-57.04
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012492401	0	54	0.0	-59.17	432.28	10.20	-48.97
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012492401	1	54	0.0	-58.81	429.16	10.68	-48.13
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012492402	0	58	0.0	-66.82	420.63	11.44	-55.38
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012492402	1	58	0.0	-68.74	414.10	11.93	-56.81
COCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492403	0	57	0.0	-57.19	433.88	8.61	-48.58
COCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492403	1	57	0.0	-59.87	438.43	8.01	-51.86
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300012492404	0	56	0.0	-66.87	408.45	11.58	-55.29
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300012492404	1	56	0.0	-66.66	415.14	11.10	-55.56
CCOCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300012492405	0	54	0.0	-70.02	412.15	7.87	-62.15
CCOCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300012492405	1	54	0.0	-70.98	416.97	7.39	-63.59
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012492406	0	59	0.0	-60.19	434.08	10.57	-49.62
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012492406	1	59	0.0	-74.99	431.80	10.32	-64.67
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012492407	0	58	0.0	-62.55	433.75	8.33	-54.22
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012492407	1	58	0.0	-58.31	427.66	8.87	-49.44
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012492408	0	58	0.0	-62.09	437.37	11.44	-50.65
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012492408	1	58	0.0	-62.36	431.89	11.95	-50.41
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012492409	0	55	0.0	-72.26	404.71	9.66	-62.60
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012492409	1	55	0.0	-72.42	400.47	9.98	-62.44
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012492410	0	51	0.0	-60.95	404.14	8.67	-52.28
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012492410	1	51	0.0	-58.24	399.55	9.28	-48.96
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012492411	0	54	0.0	-59.04	421.86	11.14	-47.90
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012492411	1	54	0.0	-55.78	417.22	11.65	-44.13
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)[C@H](C)C(=O)[O-]	REAL300012492412	0	50	0.0	-57.19	373.22	9.19	-48.00
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)[C@H](C)C(=O)[O-]	REAL300012492412	1	50	0.0	-53.69	366.68	9.62	-44.07
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C1	REAL300012492413	0	58	0.0	-79.74	435.24	9.79	-69.95
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C1	REAL300012492413	1	58	0.0	-73.83	437.23	10.03	-63.80
CC(C)C[C@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492414	0	54	0.0	-79.49	423.69	7.89	-71.60
C=CCOCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492415	0	53	0.0	-81.68	431.66	6.34	-75.34
C=CC(C)C(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492416	0	52	0.0	-78.20	413.87	7.64	-70.56
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300012492417	0	56	0.0	-82.70	430.11	6.33	-76.37
COC1CCN(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300012492418	0	56	0.0	-90.75	427.02	8.53	-82.22
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)C=C1	REAL300012492419	0	56	0.0	-79.15	429.50	6.38	-72.77
CC1CCN(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300012492420	0	55	0.0	-90.65	408.79	9.88	-80.77
CC1=CC(C(NC(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])=CC(C)=C1	REAL300012492421	0	58	0.0	-82.39	463.99	9.95	-72.44
CC1=CC=C(C(NC(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])C=C1C	REAL300012492422	0	58	0.0	-82.91	459.37	9.91	-73.00
CC1=CC=CC(C(NC(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])=C1C	REAL300012492423	0	58	0.0	-81.69	451.18	9.63	-72.06
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492424	0	51	0.0	-67.81	404.47	9.12	-58.69
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C1CCC1	REAL300012492425	0	55	0.0	-67.65	417.06	9.51	-58.14
CCCN(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(COC)C(=O)[O-]	REAL300012492426	0	58	0.0	-76.84	442.05	8.71	-68.13
CCCN(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(CC)C(=O)[O-]	REAL300012492427	0	57	0.0	-85.57	437.23	11.04	-74.53
CC(C)C(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492428	0	51	0.0	-79.63	402.08	7.13	-72.50
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300012492429	0	52	0.0	-91.07	395.30	9.74	-81.33
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300012492430	0	50	0.0	-87.30	394.87	9.61	-77.69
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300012492431	0	55	0.0	-85.11	414.56	8.75	-76.36
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCCC2C(=O)[O-])C=C1	REAL300012492432	0	49	0.0	-86.01	383.79	8.46	-77.55
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300012492433	0	52	0.0	-84.58	399.45	7.63	-76.95
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300012492434	0	58	0.0	-85.69	420.20	9.44	-76.25
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012492435	0	55	0.0	-81.52	443.22	9.63	-71.89
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012492436	0	55	0.0	-68.16	441.96	11.38	-56.78
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012492437	0	52	0.0	-82.17	421.21	8.62	-73.55
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012492438	0	52	0.0	-82.22	421.19	8.62	-73.60
CCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492439	0	48	0.0	-78.73	384.79	6.62	-72.11
CC(C)C(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492440	0	51	0.0	-79.63	402.08	7.13	-72.50
CN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492441	0	45	0.0	-78.24	361.16	7.38	-70.86
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012492442	0	55	0.0	-81.52	443.22	9.63	-71.89
CC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492443	0	45	0.0	-68.24	363.21	5.52	-62.72
CCC(C)C(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492444	0	54	0.0	-81.40	420.02	7.76	-73.64
CN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492445	0	45	0.0	-78.24	361.16	7.38	-70.86
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300012492446	0	52	0.0	-91.07	395.30	9.74	-81.33
CCCC(C)(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492447	0	54	0.0	-80.90	410.67	7.69	-73.21
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492448	0	51	0.0	-68.34	393.09	8.64	-59.70
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300012492449	0	49	0.0	-66.79	386.36	8.89	-57.90
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492450	0	49	0.0	-67.51	395.78	8.94	-58.57
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492451	0	54	0.0	-67.30	418.89	9.43	-57.87
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300012492452	0	56	0.0	-91.03	433.05	11.72	-79.31
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300012492453	0	48	0.0	-66.08	375.78	5.93	-60.15
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300012492454	0	52	0.0	-83.04	398.68	7.66	-75.38
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C=C1	REAL300012492455	0	49	0.0	-78.95	412.20	7.74	-71.21
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300012492456	0	55	0.0	-85.11	414.56	8.75	-76.36
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492457	0	51	0.0	-68.34	393.09	8.64	-59.70
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492458	0	51	0.0	-67.81	404.47	9.12	-58.69
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492459	0	48	0.0	-78.48	382.97	8.37	-70.11
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492460	0	54	0.0	-80.21	416.27	7.52	-72.69
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300012492461	0	52	0.0	-84.58	399.45	7.63	-76.95
CCC(C)(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492462	0	51	0.0	-81.38	389.17	6.92	-74.46
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=C1	REAL300012492463	0	56	0.0	-84.68	439.14	9.81	-74.87
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012492464	0	55	0.0	-83.89	428.94	9.42	-74.47
C[C@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492465	0	45	0.0	-68.33	363.03	5.56	-62.77
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492466	0	48	0.0	-78.48	382.97	8.37	-70.11
CCCCCCC(C)(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492467	0	63	0.0	-81.15	475.17	10.02	-71.13
CN(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012492468	0	58	0.0	-77.72	452.02	11.50	-66.22
C[C@@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492469	0	45	0.0	-69.18	363.52	5.50	-63.68
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300012492470	0	46	0.0	-85.86	369.37	6.74	-79.12
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300012492471	0	50	0.0	-87.08	386.29	7.07	-80.01
CN(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C1(C(=O)[O-])CCCCC1	REAL300012492472	0	58	0.0	-85.33	423.81	10.07	-75.26
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300012492473	0	49	0.0	-79.95	394.79	7.09	-72.86
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300012492474	0	58	0.0	-68.80	464.38	12.14	-56.66
CN(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012492475	0	55	0.0	-79.86	432.08	10.45	-69.41
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492476	0	52	0.0	-68.18	414.35	7.55	-60.63
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C=C1	REAL300012492477	0	56	0.0	-88.98	436.10	9.74	-79.24
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300012492478	0	49	0.0	-87.26	384.54	8.16	-79.10
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300012492479	0	52	0.0	-90.14	394.59	9.51	-80.63
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492480	0	48	0.0	-74.54	376.06	7.62	-66.92
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300012492481	0	49	0.0	-85.97	383.80	8.47	-77.50
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300012492482	0	49	0.0	-85.01	386.16	7.25	-77.76
C=CCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492483	0	49	0.0	-78.63	398.31	7.02	-71.61
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300012492484	0	52	0.0	-86.89	400.92	9.01	-77.88
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCCCCC2C(=O)[O-])C=C1	REAL300012492485	0	55	0.0	-87.82	409.83	10.32	-77.50
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300012492486	0	49	0.0	-79.95	394.79	7.09	-72.86
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492487	0	48	0.0	-74.73	375.13	7.63	-67.10
CCCCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492488	0	54	0.0	-79.03	428.04	8.10	-70.93
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300012492489	0	58	0.0	-68.80	464.38	12.14	-56.66
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300012492490	0	52	0.0	-85.97	400.94	8.99	-76.98
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300012492491	0	55	0.0	-68.57	419.31	9.95	-58.62
COCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492492	0	49	0.0	-80.63	396.90	4.79	-75.84
CCCCCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492493	0	57	0.0	-78.62	449.29	8.94	-69.68
CCC1CCC(NC(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])CC1	REAL300012492494	0	61	0.0	-85.04	453.61	10.01	-75.03
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C=C1	REAL300012492495	0	56	0.0	-69.05	427.74	8.28	-60.77
CN(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C1(C(=O)[O-])CCCC1	REAL300012492496	0	55	0.0	-86.46	410.43	9.37	-77.09
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C1CC1	REAL300012492497	0	52	0.0	-67.17	401.03	8.87	-58.30
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C1CC1	REAL300012492498	0	55	0.0	-67.72	421.75	10.02	-57.70
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300012492499	0	52	0.0	-86.22	425.36	8.78	-77.44
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300012492500	0	56	0.0	-68.57	436.05	11.06	-57.51
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300012492501	0	61	0.0	-80.58	465.11	9.82	-70.76
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492502	0	58	0.0	-69.30	455.77	11.80	-57.50
CC1=CC=C(C(NC(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300012492503	0	55	0.0	-81.95	442.38	9.39	-72.56
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012492504	0	48	0.0	-73.68	400.96	7.25	-66.43
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300012492505	0	53	0.0	-80.56	412.25	8.46	-72.10
COCC(C)(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492506	0	52	0.0	-85.54	407.42	6.20	-79.34
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492507	0	55	0.0	-75.22	427.42	7.87	-67.35
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492508	0	54	0.0	-67.30	418.89	9.43	-57.87
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300012492509	0	49	0.0	-66.79	386.36	8.89	-57.90
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300012492510	0	51	0.0	-66.90	422.60	9.50	-57.40
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300012492511	0	50	0.0	-79.67	390.68	5.05	-74.62
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1	REAL300012492512	0	58	0.0	-80.97	438.10	8.84	-72.13
CN(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(COC1CCC1)C(=O)[O-]	REAL300012492513	0	59	0.0	-75.83	454.57	9.27	-66.56
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300012492514	0	53	0.0	-83.62	405.98	6.26	-77.36
C=CCCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492515	0	52	0.0	-78.68	419.34	7.89	-70.79
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C1	REAL300012492516	0	45	0.0	-66.58	367.14	5.53	-61.05
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492517	0	58	0.0	-66.93	451.27	12.37	-54.56
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492518	0	48	0.0	-74.73	375.13	7.63	-67.10
CCC(CC)(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492519	0	54	0.0	-82.77	405.85	7.81	-74.96
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492520	0	54	0.0	-66.44	416.29	9.80	-56.64
CCC(COC)(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492521	0	55	0.0	-86.01	423.87	7.12	-78.89
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492522	0	58	0.0	-76.11	448.31	8.71	-67.40
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300012492523	0	52	0.0	-80.11	417.15	7.99	-72.12
COCCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492524	0	52	0.0	-78.68	418.71	5.62	-73.06
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492525	0	57	0.0	-75.77	435.15	10.00	-65.77
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300012492526	0	48	0.0	-74.03	395.42	7.13	-66.90
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492527	0	58	0.0	-88.67	435.57	10.96	-77.71
CCCN(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300012492528	0	54	0.0	-74.87	414.13	9.08	-65.79
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492529	0	58	0.0	-63.60	453.45	12.46	-51.14
CCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012492530	0	58	0.0	-83.74	445.87	10.27	-73.47
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C1	REAL300012492531	0	48	0.0	-77.07	391.62	6.70	-70.37
COC1(CC(NC(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])CCC1	REAL300012492532	0	59	0.0	-81.23	455.14	7.90	-73.33
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C=C1	REAL300012492533	0	56	0.0	-69.05	427.74	8.28	-60.77
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)C=C1	REAL300012492534	0	58	0.0	-69.10	436.68	10.64	-58.46
C[C@H]1CC[C@@](NC(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])CC1	REAL300012492535	0	58	0.0	-85.87	428.35	9.15	-76.72
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300012492536	0	51	0.0	-77.02	395.76	7.06	-69.96
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=C1	REAL300012492537	0	53	0.0	-72.60	418.53	9.24	-63.36
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C=C1	REAL300012492538	0	49	0.0	-79.90	398.92	8.22	-71.68
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492539	0	48	0.0	-73.89	376.37	7.67	-66.22
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=C1	REAL300012492540	0	61	0.0	-86.43	442.28	9.61	-76.82
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300012492541	0	50	0.0	-91.79	390.82	9.09	-82.70
COC1CN(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C(C)(C(=O)[O-])C1	REAL300012492542	0	56	0.0	-86.85	434.19	7.99	-78.86
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C=C1	REAL300012492543	0	59	0.0	-80.41	456.43	7.38	-73.03
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300012492544	0	54	0.0	-79.81	415.15	7.74	-72.07
C=C(Cl)CC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492545	0	49	0.0	-75.18	413.26	7.74	-67.44
C=C(C)CC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492546	0	52	0.0	-79.48	416.60	7.86	-71.62
C[NH+](C)CCOC1=CC=C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300012492547	0	53	0.0	-94.52	406.37	9.88	-84.64
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300012492548	0	49	0.0	-78.42	396.75	8.63	-69.79
C[NH+](C)CCOC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300012492549	0	49	0.0	-82.78	390.27	8.55	-74.23
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300012492550	0	50	0.0	-86.15	398.03	8.51	-77.64
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300012492551	0	59	0.0	-79.80	452.29	8.04	-71.76
CC(C)C[C@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492552	0	54	0.0	-79.49	423.69	7.89	-71.60
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300012492553	0	56	0.0	-82.70	430.11	6.33	-76.37
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012492554	0	52	0.0	-82.22	421.19	8.62	-73.60
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300012492555	0	52	0.0	-80.11	417.15	7.99	-72.12
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C=C1	REAL300012492556	0	51	0.0	-77.70	429.17	6.74	-70.96
CC(C)CCCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492557	0	60	0.0	-78.64	466.85	9.45	-69.19
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])C=C1	REAL300012492558	0	56	0.0	-84.59	440.98	7.00	-77.59
CSCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492559	0	49	0.0	-76.87	408.50	6.96	-69.91
COC[C@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492560	0	49	0.0	-80.69	396.89	4.80	-75.89
CC[C@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492561	0	48	0.0	-79.04	385.03	6.55	-72.49
CCC(C)CC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492562	0	57	0.0	-79.97	442.10	8.49	-71.48
C=CCCCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492563	0	55	0.0	-78.71	440.61	8.72	-69.99
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300012492564	0	50	0.0	-87.30	394.87	9.61	-77.69
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012492565	0	55	0.0	-83.89	428.94	9.42	-74.47
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300012492566	0	49	0.0	-87.26	384.54	8.16	-79.10
CCCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492567	0	51	0.0	-78.72	406.30	7.37	-71.35
CC(C)[C@@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492568	0	51	0.0	-80.54	402.07	7.14	-73.40
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=C1	REAL300012492569	0	53	0.0	-92.89	405.12	10.05	-82.84
CCN(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(C)(C)C(=O)[O-]	REAL300012492570	0	54	0.0	-84.18	409.77	9.33	-74.85
CCCN(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300012492571	0	54	0.0	-74.87	414.13	9.08	-65.79
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=C1	REAL300012492572	0	48	0.0	-73.83	397.58	8.88	-64.95
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=C1	REAL300012492573	0	48	0.0	-73.83	397.58	8.88	-64.95
CN(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(C)(C)C(=O)[O-]	REAL300012492574	0	51	0.0	-83.98	390.15	8.47	-75.51
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300012492575	0	49	0.0	-85.97	383.80	8.47	-77.50
C[NH+](C)CCOC1=CC=C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C=C1	REAL300012492576	0	50	0.0	-88.57	395.81	4.77	-83.80
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492577	0	56	0.0	-67.71	438.12	11.49	-56.22
CCC[C@@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492578	0	51	0.0	-79.91	406.53	7.32	-72.59
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012492579	0	52	0.0	-82.17	421.21	8.62	-73.55
C=CCCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492580	0	52	0.0	-78.68	419.34	7.89	-70.79
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300012492581	0	51	0.0	-82.66	429.74	6.62	-76.04
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C=C1	REAL300012492582	0	52	0.0	-94.22	414.20	6.03	-88.19
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)CC1=O	REAL300012492583	0	53	0.0	-81.19	411.84	7.74	-73.45
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300012492584	0	52	0.0	-86.96	400.89	9.02	-77.94
CC(C)[C@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492585	0	51	0.0	-78.05	399.21	7.08	-70.97
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012492586	0	52	0.0	-81.39	421.16	8.63	-72.76
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300012492587	0	55	0.0	-82.19	435.13	7.98	-74.21
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492588	0	48	0.0	-73.89	376.37	7.67	-66.22
CCC[C@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492589	0	51	0.0	-78.99	406.53	7.32	-71.67
CCN(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300012492590	0	51	0.0	-81.58	396.39	9.09	-72.49
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300012492591	0	55	0.0	-68.57	419.31	9.95	-58.62
CC(CN(C)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492592	0	51	0.0	-77.04	395.39	8.04	-69.00
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492593	0	54	0.0	-80.21	416.27	7.52	-72.69
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492594	0	51	0.0	-74.56	395.42	8.70	-65.86
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C=C1	REAL300012492595	0	53	0.0	-86.22	418.42	4.56	-81.66
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492596	0	61	0.0	-82.15	468.51	7.86	-74.29
CC1CCC(NC(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300012492597	0	55	0.0	-85.34	421.11	8.28	-77.06
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C=C1	REAL300012492598	0	58	0.0	-85.16	430.56	9.03	-76.13
COCCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492599	0	52	0.0	-78.68	418.71	5.62	-73.06
CN(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012492600	0	58	0.0	-77.72	452.02	11.50	-66.22
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300012492601	0	55	0.0	-85.83	422.37	8.97	-76.86
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300012492602	0	52	0.0	-81.98	406.50	7.89	-74.09
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492603	0	61	0.0	-82.47	468.82	7.84	-74.63
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C=C1	REAL300012492604	0	50	0.0	-93.91	395.79	4.92	-88.99
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOC2)C=C1	REAL300012492605	0	53	0.0	-80.33	411.81	5.58	-74.75
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1	REAL300012492606	0	53	0.0	-92.06	405.94	9.60	-82.46
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1	REAL300012492607	0	51	0.0	-87.49	398.56	7.29	-80.20
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300012492608	0	55	0.0	-90.87	416.13	10.39	-80.48
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492609	0	58	0.0	-79.38	458.63	9.97	-69.41
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300012492610	0	59	0.0	-79.90	457.71	9.70	-70.20
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300012492611	0	52	0.0	-80.71	409.91	7.60	-73.11
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1	REAL300012492612	0	58	0.0	-80.97	438.10	8.84	-72.13
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300012492613	0	52	0.0	-80.71	409.91	7.60	-73.11
CC1CCN(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C1C(=O)[O-]	REAL300012492614	0	52	0.0	-87.49	405.15	8.77	-78.72
C=CCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492615	0	49	0.0	-78.63	398.31	7.02	-71.61
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300012492616	0	59	0.0	-80.51	457.27	8.29	-72.22
C[NH+](C)CCOC1=CC=C(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=C1	REAL300012492617	0	59	0.0	-67.70	430.88	10.29	-57.41
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C=C1	REAL300012492618	0	59	0.0	-84.44	435.08	7.56	-76.88
C[NH+](C)CCOC1=CC=C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=C1	REAL300012492619	0	53	0.0	-69.65	406.57	9.49	-60.16
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300012492620	0	59	0.0	-79.90	457.71	9.70	-70.20
COC1CC(NC(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300012492621	0	53	0.0	-87.74	419.52	6.23	-81.51
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300012492622	0	49	0.0	-83.01	394.59	7.28	-75.73
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300012492623	0	53	0.0	-81.78	417.63	6.13	-75.65
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492624	0	55	0.0	-88.24	416.69	10.16	-78.08
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012492625	0	48	0.0	-73.68	400.96	7.25	-66.43
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300012492626	0	56	0.0	-80.01	439.93	6.61	-73.40
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])COC2)C=C1	REAL300012492627	0	47	0.0	-78.52	377.14	4.29	-74.23
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C=C1	REAL300012492628	0	52	0.0	-79.78	434.51	8.62	-71.16
CC(C)C(C)(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492629	0	54	0.0	-82.61	405.90	7.61	-75.00
C[NH+](C)CCOC1=CC=C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012492630	0	50	0.0	-90.90	390.86	9.62	-81.28
C[NH+](C)CCOC1=CC=C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012492631	0	53	0.0	-88.90	407.42	9.25	-79.65
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492632	0	58	0.0	-63.60	453.45	12.46	-51.14
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300012492633	0	61	0.0	-80.58	465.11	9.82	-70.76
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012492634	0	58	0.0	-79.61	465.60	10.35	-69.26
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012492635	0	58	0.0	-80.69	466.20	10.40	-70.29
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300012492636	0	59	0.0	-81.82	445.47	9.22	-72.60
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300012492637	0	61	0.0	-80.60	465.08	9.85	-70.75
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300012492638	0	61	0.0	-79.65	465.13	9.81	-69.84
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=C1	REAL300012492639	0	59	0.0	-67.36	446.48	10.37	-56.99
C[NH+](C)CCOC1=CC=C(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012492640	0	59	0.0	-89.71	442.61	10.13	-79.58
C=CCSCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492641	0	53	0.0	-77.40	443.02	8.35	-69.05
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492642	0	54	0.0	-74.65	409.75	9.36	-65.29
COC1(C(NC(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])CCC1	REAL300012492643	0	56	0.0	-76.87	431.97	6.18	-70.69
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C=C1	REAL300012492644	0	52	0.0	-81.05	416.27	8.00	-73.05
C[NH+](C)CCOC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300012492646	0	49	0.0	-82.78	390.27	8.55	-74.23
C[NH+](C)CCOC1=CC=C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1	REAL300012492647	0	51	0.0	-67.34	399.88	9.28	-58.06
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1	REAL300012492648	0	55	0.0	-87.47	416.12	9.42	-78.05
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C=C1	REAL300012492649	0	59	0.0	-90.66	440.33	11.13	-79.53
CC(C)CCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492650	0	57	0.0	-78.86	445.37	8.67	-70.19
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1	REAL300012492651	0	56	0.0	-67.42	431.49	9.91	-57.51
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300012492652	0	56	0.0	-80.01	439.93	6.61	-73.40
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300012492653	0	53	0.0	-83.93	428.04	9.43	-74.50
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012492654	0	56	0.0	-86.16	420.40	9.39	-76.77
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C=C1	REAL300012492655	0	53	0.0	-87.10	407.53	8.50	-78.60
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300012492656	0	56	0.0	-85.36	428.77	8.88	-76.48
CN(C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012492657	0	58	0.0	-77.72	452.53	11.61	-66.11
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCC2)C=C1	REAL300012492658	0	55	0.0	-81.76	428.46	8.27	-73.49
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492659	0	52	0.0	-80.34	414.90	5.85	-74.49
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492660	0	52	0.0	-87.97	408.05	8.28	-79.69
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012492661	0	55	0.0	-68.16	441.96	11.38	-56.78
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C=C1	REAL300012492662	0	55	0.0	-68.87	423.61	9.27	-59.60
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C=C1	REAL300012492663	0	52	0.0	-86.16	405.97	9.57	-76.59
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1	REAL300012492664	0	49	0.0	-87.84	395.45	8.60	-79.24
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012492665	0	52	0.0	-80.21	434.36	8.48	-71.73
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=C1	REAL300012492666	0	52	0.0	-77.89	412.99	9.13	-68.76
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012492667	0	52	0.0	-80.21	434.36	8.48	-71.73
C[NH+](C)CCOC1=CC=C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012492668	0	56	0.0	-90.05	422.23	9.84	-80.21
COCCCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492669	0	55	0.0	-78.90	440.21	6.39	-72.51
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492670	0	54	0.0	-74.16	418.02	9.46	-64.70
CCOCC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012492671	0	52	0.0	-81.09	418.75	5.76	-75.33
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300012492672	0	57	0.0	-80.56	434.88	8.98	-71.58
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCO2)C=C1	REAL300012492673	0	56	0.0	-83.04	433.77	6.71	-76.33
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=C1	REAL300012492674	0	56	0.0	-84.68	439.14	9.81	-74.87
C[C@H]1OCCN(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)[C@@H]1C(=O)[O-]	REAL300012492675	0	53	0.0	-87.33	405.81	7.77	-79.56
C[NH+](C)CCOC1=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300012492676	0	49	0.0	-78.63	405.66	7.11	-71.52
C[NH+](C)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C=C1	REAL300012492677	0	52	0.0	-69.33	423.63	9.51	-59.82
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300012492678	0	48	0.0	-74.54	376.06	7.62	-66.92
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300012492679	0	56	0.0	-82.80	439.20	8.31	-74.49
CC(C)C[C@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492877	0	54	0.0	-79.69	423.50	7.92	-71.77
C=CCOCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492878	0	53	0.0	-81.07	431.17	6.32	-74.75
C=CC(C)C(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492879	0	52	0.0	-74.95	415.06	7.71	-67.24
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300012492880	0	56	0.0	-79.25	428.96	6.41	-72.84
COC1CCN(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C(C(=O)[O-])C1	REAL300012492881	0	56	0.0	-88.07	427.06	8.46	-79.61
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)=C1	REAL300012492882	0	56	0.0	-75.08	428.93	6.44	-68.64
CC1CCN(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C(C(=O)[O-])C1	REAL300012492883	0	55	0.0	-89.45	409.37	10.16	-79.29
CC1=CC(C(NC(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C(=O)[O-])=CC(C)=C1	REAL300012492884	0	58	0.0	-79.57	463.80	10.02	-69.55
CC1=CC=C(C(NC(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C(=O)[O-])C=C1C	REAL300012492885	0	58	0.0	-82.12	458.99	9.86	-72.26
CC1=CC=CC(C(NC(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C(=O)[O-])=C1C	REAL300012492886	0	58	0.0	-81.73	451.20	9.64	-72.09
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492887	0	51	0.0	-69.13	404.47	9.12	-60.01
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C1CCC1	REAL300012492888	0	55	0.0	-64.22	417.52	9.52	-54.70
CCCN(C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(COC)C(=O)[O-]	REAL300012492889	0	58	0.0	-82.19	447.33	10.05	-72.14
CCCN(C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(CC)C(=O)[O-]	REAL300012492890	0	57	0.0	-76.63	431.36	10.10	-66.53
CC(C)C(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492891	0	51	0.0	-76.37	396.48	6.96	-69.41
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCCCC2C(=O)[O-])=C1	REAL300012492892	0	52	0.0	-89.47	395.08	9.78	-79.69
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCSCC2C(=O)[O-])=C1	REAL300012492893	0	50	0.0	-84.18	394.62	9.48	-74.70
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300012492894	0	55	0.0	-81.25	414.56	8.75	-72.50
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCCC2C(=O)[O-])=C1	REAL300012492895	0	49	0.0	-86.23	383.81	8.46	-77.77
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300012492896	0	52	0.0	-81.22	400.04	7.66	-73.56
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300012492897	0	58	0.0	-81.73	420.21	9.44	-72.29
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012492898	0	55	0.0	-78.07	443.47	9.58	-68.49
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012492899	0	55	0.0	-69.71	441.97	11.38	-58.33
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012492900	0	52	0.0	-78.59	420.97	8.71	-69.88
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012492901	0	52	0.0	-80.99	420.56	8.65	-72.34
CCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492902	0	48	0.0	-78.99	384.20	6.57	-72.42
CC(C)C(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492903	0	51	0.0	-76.37	396.48	6.96	-69.41
CN(CC(=O)[O-])C(=O)NCC1=CC(OCC[NH+](C)C)=CC=C1	REAL300012492904	0	45	0.0	-75.64	361.16	7.39	-68.25
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012492905	0	55	0.0	-78.07	443.47	9.58	-68.49
CC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492906	0	45	0.0	-66.90	363.20	5.54	-61.36
CCC(C)C(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492907	0	54	0.0	-77.62	415.69	7.54	-70.08
CN(CC(=O)[O-])C(=O)NCC1=CC(OCC[NH+](C)C)=CC=C1	REAL300012492908	0	45	0.0	-75.64	361.16	7.39	-68.25
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCCCC2C(=O)[O-])=C1	REAL300012492909	0	52	0.0	-89.47	395.08	9.78	-79.69
CCCC(C)(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492910	0	54	0.0	-80.82	410.67	7.69	-73.13
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492911	0	51	0.0	-69.94	393.32	8.65	-61.29
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300012492912	0	49	0.0	-76.47	387.91	8.75	-67.72
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492913	0	49	0.0	-68.93	395.78	8.92	-60.01
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492914	0	54	0.0	-69.23	419.13	9.64	-59.59
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300012492915	0	56	0.0	-88.71	432.74	11.61	-77.10
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C)(C)C(=O)[O-])=C1	REAL300012492916	0	48	0.0	-65.70	375.78	5.93	-59.77
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300012492917	0	52	0.0	-79.41	398.68	7.66	-71.75
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)=C1	REAL300012492918	0	49	0.0	-76.77	412.83	7.71	-69.06
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300012492919	0	55	0.0	-81.25	414.56	8.75	-72.50
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492920	0	51	0.0	-69.94	393.32	8.65	-61.29
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492921	0	51	0.0	-69.13	404.47	9.12	-60.01
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492922	0	48	0.0	-75.92	382.97	8.36	-67.56
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492923	0	54	0.0	-80.63	416.28	7.50	-73.13
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300012492924	0	52	0.0	-81.22	400.04	7.66	-73.56
CCC(C)(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492925	0	51	0.0	-80.47	389.18	6.92	-73.55
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=C1	REAL300012492926	0	56	0.0	-82.05	440.54	9.94	-72.11
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012492927	0	55	0.0	-82.70	429.00	9.39	-73.31
C[C@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492928	0	45	0.0	-67.99	363.05	5.55	-62.44
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492929	0	48	0.0	-75.92	382.97	8.36	-67.56
CCCCCCC(C)(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492930	0	63	0.0	-81.02	475.17	10.02	-71.00
CN(C(=O)NCC1=CC(OCC[NH+](C)C)=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012492931	0	58	0.0	-74.21	452.55	11.60	-62.61
C[C@@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492932	0	45	0.0	-66.93	363.21	5.52	-61.41
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC2)=C1	REAL300012492933	0	46	0.0	-83.56	369.36	6.75	-76.81
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCOCC2C(=O)[O-])=C1	REAL300012492934	0	50	0.0	-84.95	386.29	7.06	-77.89
CN(C(=O)NCC1=CC(OCC[NH+](C)C)=CC=C1)C1(C(=O)[O-])CCCCC1	REAL300012492935	0	58	0.0	-82.27	423.70	10.14	-72.13
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300012492936	0	49	0.0	-79.15	391.96	7.04	-72.11
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300012492937	0	58	0.0	-70.11	464.37	12.16	-57.95
CN(C(=O)NCC1=CC(OCC[NH+](C)C)=CC=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012492938	0	55	0.0	-77.85	429.37	10.36	-67.49
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492939	0	52	0.0	-69.72	414.35	7.55	-62.17
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=C1	REAL300012492940	0	56	0.0	-87.99	435.89	9.69	-78.30
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300012492941	0	49	0.0	-87.40	384.56	8.15	-79.25
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300012492942	0	52	0.0	-90.11	394.81	9.67	-80.44
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492943	0	48	0.0	-71.48	376.06	7.63	-63.85
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300012492944	0	49	0.0	-83.70	383.78	8.46	-75.24
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300012492945	0	49	0.0	-82.36	386.16	7.27	-75.09
C=CCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492946	0	49	0.0	-79.23	398.36	7.00	-72.23
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300012492947	0	52	0.0	-86.43	400.87	9.02	-77.41
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCCCCC2C(=O)[O-])=C1	REAL300012492948	0	55	0.0	-89.30	407.95	10.12	-79.18
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300012492949	0	49	0.0	-79.15	391.96	7.04	-72.11
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492950	0	48	0.0	-71.50	375.56	7.51	-63.99
CCCCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492951	0	54	0.0	-78.97	427.20	8.11	-70.86
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300012492952	0	58	0.0	-70.11	464.37	12.16	-57.95
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300012492953	0	52	0.0	-86.42	400.87	9.02	-77.40
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300012492954	0	55	0.0	-68.95	419.29	9.94	-59.01
COCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492955	0	49	0.0	-81.24	396.90	4.79	-76.45
CCCCCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492956	0	57	0.0	-78.98	448.70	8.88	-70.10
CCC1CCC(NC(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)(C(=O)[O-])CC1	REAL300012492957	0	61	0.0	-81.07	453.62	10.01	-71.06
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)=C1	REAL300012492958	0	56	0.0	-69.33	427.75	8.27	-61.06
CN(C(=O)NCC1=CC(OCC[NH+](C)C)=CC=C1)C1(C(=O)[O-])CCCC1	REAL300012492959	0	55	0.0	-87.22	410.49	9.37	-77.85
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C1CC1	REAL300012492960	0	52	0.0	-68.80	401.41	8.94	-59.86
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C1CC1	REAL300012492961	0	55	0.0	-64.49	422.16	10.16	-54.33
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300012492962	0	52	0.0	-86.86	425.60	8.71	-78.15
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300012492963	0	56	0.0	-67.60	436.12	11.04	-56.56
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300012492964	0	61	0.0	-80.29	465.17	9.82	-70.47
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492965	0	58	0.0	-68.43	454.15	11.99	-56.44
CC1=CC=C(C(NC(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300012492966	0	55	0.0	-81.16	441.98	9.32	-71.84
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012492967	0	48	0.0	-73.61	400.96	7.25	-66.36
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCSCC2)=C1	REAL300012492968	0	53	0.0	-77.09	412.25	8.46	-68.63
COCC(C)(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492969	0	52	0.0	-84.54	407.42	6.21	-78.33
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492970	0	55	0.0	-75.88	427.71	8.01	-67.87
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492971	0	54	0.0	-69.23	419.13	9.64	-59.59
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300012492972	0	49	0.0	-76.47	387.91	8.75	-67.72
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300012492973	0	51	0.0	-68.34	422.60	9.50	-58.84
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300012492974	0	50	0.0	-79.66	390.69	5.04	-74.62
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)=C1	REAL300012492975	0	58	0.0	-78.21	438.11	8.83	-69.38
CN(C(=O)NCC1=CC(OCC[NH+](C)C)=CC=C1)C(COC1CCC1)C(=O)[O-]	REAL300012492976	0	59	0.0	-77.03	454.87	9.40	-67.63
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300012492977	0	53	0.0	-79.86	405.98	6.27	-73.59
C=CCCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492978	0	52	0.0	-78.61	418.51	7.89	-70.72
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CF)C(=O)[O-])=C1	REAL300012492979	0	45	0.0	-66.10	366.83	5.54	-60.56
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492980	0	58	0.0	-62.40	453.45	12.46	-49.94
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492981	0	48	0.0	-71.50	375.56	7.51	-63.99
CCC(CC)(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492982	0	54	0.0	-78.67	405.56	7.82	-70.85
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492983	0	54	0.0	-68.28	415.80	9.91	-58.37
CCC(COC)(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492984	0	55	0.0	-86.05	424.10	7.11	-78.94
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492985	0	58	0.0	-76.51	447.45	8.66	-67.85
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300012492986	0	52	0.0	-78.97	415.79	8.12	-70.85
COCCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012492987	0	52	0.0	-78.93	417.88	5.63	-73.30
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492988	0	57	0.0	-75.46	433.28	10.03	-65.43
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC(F)F)C(=O)[O-])=C1	REAL300012492989	0	48	0.0	-77.98	397.39	6.83	-71.15
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492990	0	58	0.0	-83.84	435.99	10.64	-73.20
CCCN(C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(C)C(=O)[O-]	REAL300012492991	0	54	0.0	-72.17	414.54	9.21	-62.96
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012492992	0	58	0.0	-62.75	453.51	12.41	-50.34
CCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012492993	0	58	0.0	-81.01	445.97	10.31	-70.70
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CCF)C(=O)[O-])=C1	REAL300012492994	0	48	0.0	-77.64	391.63	6.68	-70.96
COC1(CC(NC(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C(=O)[O-])CCC1	REAL300012492995	0	59	0.0	-81.01	454.70	8.00	-73.01
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)=C1	REAL300012492996	0	56	0.0	-69.33	427.75	8.27	-61.06
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)=C1	REAL300012492997	0	58	0.0	-69.40	436.71	10.64	-58.76
C[C@H]1CC[C@@](NC(=O)NCC2=CC(OCC[NH+](C)C)=CC=C2)(C(=O)[O-])CC1	REAL300012492998	0	58	0.0	-85.82	428.35	9.14	-76.68
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C)(CCF)C(=O)[O-])=C1	REAL300012492999	0	51	0.0	-77.16	395.77	7.06	-70.10
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=C1	REAL300012493000	0	53	0.0	-72.34	417.96	9.10	-63.24
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])=C1	REAL300012493001	0	49	0.0	-79.05	397.53	8.32	-70.73
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012493002	0	48	0.0	-74.41	375.13	7.62	-66.79
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=C1	REAL300012493003	0	61	0.0	-82.49	442.47	9.63	-72.86
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300012493004	0	50	0.0	-89.91	391.16	9.10	-80.81
COC1CN(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C(C)(C(=O)[O-])C1	REAL300012493005	0	56	0.0	-80.25	433.71	8.04	-72.21
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])=C1	REAL300012493006	0	59	0.0	-77.03	456.43	7.39	-69.64
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300012493007	0	54	0.0	-80.94	415.83	7.67	-73.27
C=C(Cl)CC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493008	0	49	0.0	-79.25	413.47	7.63	-71.62
C=C(C)CC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493009	0	52	0.0	-79.65	418.89	7.74	-71.91
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300012493010	0	53	0.0	-91.76	405.53	9.93	-81.83
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300012493011	0	49	0.0	-76.29	396.76	8.62	-67.67
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300012493012	0	49	0.0	-83.26	390.29	8.56	-74.70
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C1	REAL300012493013	0	50	0.0	-86.42	397.98	8.54	-77.88
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300012493014	0	59	0.0	-80.88	456.50	7.36	-73.52
CC(C)C[C@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493015	0	54	0.0	-79.69	423.50	7.92	-71.77
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300012493016	0	56	0.0	-79.25	428.96	6.41	-72.84
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012493017	0	52	0.0	-80.99	420.56	8.65	-72.34
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300012493018	0	52	0.0	-78.97	415.79	8.12	-70.85
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])=C1	REAL300012493019	0	51	0.0	-78.37	430.00	6.74	-71.63
CC(C)CCCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493020	0	60	0.0	-79.49	467.11	9.38	-70.11
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])=C1	REAL300012493021	0	56	0.0	-81.35	441.22	6.94	-74.41
CSCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493022	0	49	0.0	-76.66	407.83	7.00	-69.66
COC[C@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493023	0	49	0.0	-81.11	396.89	4.80	-76.31
CC[C@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493024	0	48	0.0	-79.01	384.20	6.57	-72.44
CCC(C)CC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493025	0	57	0.0	-79.56	441.14	8.51	-71.05
C=CCCCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493026	0	55	0.0	-78.67	440.02	8.66	-70.01
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCSCC2C(=O)[O-])=C1	REAL300012493027	0	50	0.0	-84.18	394.62	9.48	-74.70
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012493028	0	55	0.0	-82.70	429.00	9.39	-73.31
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300012493029	0	49	0.0	-87.40	384.56	8.15	-79.25
CCCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493030	0	51	0.0	-79.38	406.53	7.32	-72.06
CC(C)[C@@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493031	0	51	0.0	-76.34	396.47	6.96	-69.38
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=C1	REAL300012493032	0	53	0.0	-92.08	405.44	10.00	-82.08
CCN(C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(C)(C)C(=O)[O-]	REAL300012493033	0	54	0.0	-80.53	409.58	9.27	-71.26
CCCN(C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(C)C(=O)[O-]	REAL300012493034	0	54	0.0	-72.17	414.54	9.21	-62.96
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=C1	REAL300012493035	0	48	0.0	-71.66	397.58	8.88	-62.78
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=C1	REAL300012493036	0	48	0.0	-71.66	397.58	8.88	-62.78
CN(C(=O)NCC1=CC(OCC[NH+](C)C)=CC=C1)C(C)(C)C(=O)[O-]	REAL300012493037	0	51	0.0	-80.11	389.77	8.49	-71.62
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300012493038	0	49	0.0	-83.70	383.78	8.46	-75.24
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=C1	REAL300012493039	0	50	0.0	-88.87	395.81	4.77	-84.10
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012493040	0	56	0.0	-71.50	439.11	11.34	-60.16
CCC[C@@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493041	0	51	0.0	-76.45	406.53	7.32	-69.13
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012493042	0	52	0.0	-78.59	420.97	8.71	-69.88
C=CCCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493043	0	52	0.0	-78.61	418.51	7.89	-70.72
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300012493044	0	51	0.0	-79.03	429.75	6.62	-72.41
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])=C1	REAL300012493045	0	52	0.0	-92.65	414.30	6.01	-86.64
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC(OCC[NH+](C)C)=CC=C2)CC1=O	REAL300012493046	0	53	0.0	-77.89	410.78	7.49	-70.40
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300012493047	0	52	0.0	-83.08	400.89	9.02	-74.06
CC(C)[C@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493048	0	51	0.0	-78.51	399.21	7.10	-71.41
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012493049	0	52	0.0	-81.39	421.16	8.63	-72.76
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=C1	REAL300012493050	0	55	0.0	-82.54	434.89	8.01	-74.53
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012493051	0	48	0.0	-74.41	375.13	7.62	-66.79
CCC[C@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493052	0	51	0.0	-79.02	405.71	7.32	-71.70
CCN(C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(C)C(=O)[O-]	REAL300012493053	0	51	0.0	-71.83	392.74	8.41	-63.42
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300012493054	0	55	0.0	-68.95	419.29	9.94	-59.01
CC(CN(C)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493055	0	51	0.0	-75.24	395.38	8.03	-67.21
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493056	0	54	0.0	-80.63	416.28	7.50	-73.13
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012493057	0	51	0.0	-74.91	395.42	8.71	-66.20
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)=C1	REAL300012493058	0	53	0.0	-83.17	418.43	4.54	-78.63
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493059	0	61	0.0	-81.74	464.78	7.77	-73.97
CC1CCC(NC(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)(C(=O)[O-])C1	REAL300012493060	0	55	0.0	-81.60	421.11	8.29	-73.31
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)=C1	REAL300012493061	0	58	0.0	-82.72	428.97	8.90	-73.82
COCCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493062	0	52	0.0	-78.93	417.88	5.63	-73.30
CN(C(=O)NCC1=CC(OCC[NH+](C)C)=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012493063	0	58	0.0	-74.21	452.55	11.60	-62.61
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300012493064	0	55	0.0	-82.99	422.59	8.98	-74.01
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300012493065	0	52	0.0	-78.91	408.64	7.92	-70.99
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493066	0	61	0.0	-79.24	469.05	7.84	-71.40
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=C1	REAL300012493067	0	50	0.0	-94.19	395.82	4.92	-89.27
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOC2)=C1	REAL300012493068	0	53	0.0	-76.68	415.13	5.57	-71.11
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=C1	REAL300012493069	0	53	0.0	-90.37	405.65	9.59	-80.78
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)=C1	REAL300012493070	0	51	0.0	-85.29	398.25	7.31	-77.98
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C1	REAL300012493071	0	55	0.0	-89.01	416.05	10.33	-78.68
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493072	0	58	0.0	-76.77	458.64	9.98	-66.79
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])=C1	REAL300012493073	0	59	0.0	-76.32	453.25	10.37	-65.95
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300012493074	0	52	0.0	-77.16	404.70	7.51	-69.65
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)=C1	REAL300012493075	0	58	0.0	-78.21	438.11	8.83	-69.38
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300012493076	0	52	0.0	-77.16	404.70	7.51	-69.65
CC1CCN(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C1C(=O)[O-]	REAL300012493077	0	52	0.0	-84.30	399.97	8.63	-75.67
C=CCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493078	0	49	0.0	-79.23	398.36	7.00	-72.23
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300012493079	0	59	0.0	-83.62	459.25	7.72	-75.90
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=C1	REAL300012493080	0	59	0.0	-63.15	430.82	10.28	-52.87
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=C1	REAL300012493081	0	59	0.0	-80.64	435.07	7.55	-73.09
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=C1	REAL300012493082	0	53	0.0	-68.60	406.53	9.49	-59.11
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])=C1	REAL300012493083	0	59	0.0	-76.32	453.25	10.37	-65.95
COC1CC(NC(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)(C(=O)[O-])C1	REAL300012493084	0	53	0.0	-84.12	419.62	6.24	-77.88
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)=C1	REAL300012493085	0	49	0.0	-80.04	394.60	7.28	-72.76
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)(C(=O)[O-])C1	REAL300012493086	0	53	0.0	-78.58	417.63	6.14	-72.44
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012493087	0	55	0.0	-85.58	414.18	10.23	-75.35
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012493088	0	48	0.0	-73.61	400.96	7.25	-66.36
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300012493089	0	56	0.0	-79.95	439.16	6.66	-73.29
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])COC2)=C1	REAL300012493090	0	47	0.0	-76.12	376.99	4.30	-71.82
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])=C1	REAL300012493091	0	52	0.0	-80.48	434.50	8.64	-71.84
CC(C)C(C)(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493092	0	54	0.0	-78.51	405.91	7.63	-70.88
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012493093	0	50	0.0	-90.65	391.01	9.67	-80.98
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012493094	0	53	0.0	-89.42	407.27	9.23	-80.19
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012493095	0	58	0.0	-62.75	453.51	12.41	-50.34
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300012493096	0	61	0.0	-80.29	465.17	9.82	-70.47
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012493097	0	58	0.0	-80.02	465.61	10.34	-69.68
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012493098	0	58	0.0	-77.11	466.20	10.41	-66.70
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300012493099	0	59	0.0	-78.99	447.74	9.38	-69.61
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300012493100	0	61	0.0	-77.29	465.39	9.75	-67.54
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300012493101	0	61	0.0	-80.13	464.54	9.76	-70.37
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])=C1	REAL300012493102	0	59	0.0	-64.14	445.56	10.44	-53.70
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=C1	REAL300012493103	0	59	0.0	-90.21	442.40	10.14	-80.07
C=CCSCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493104	0	53	0.0	-77.46	442.79	8.42	-69.04
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012493105	0	54	0.0	-76.06	410.07	9.43	-66.63
COC1(C(NC(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C(=O)[O-])CCC1	REAL300012493106	0	56	0.0	-77.10	432.64	6.22	-70.88
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=C1	REAL300012493107	0	52	0.0	-77.78	416.28	7.99	-69.79
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300012493109	0	49	0.0	-83.26	390.29	8.56	-74.70
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])=C1	REAL300012493110	0	51	0.0	-69.46	399.89	9.27	-60.19
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])=C1	REAL300012493111	0	55	0.0	-85.45	419.94	9.10	-76.35
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])=C1	REAL300012493112	0	59	0.0	-88.29	439.91	11.11	-77.18
CC(C)CCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493113	0	57	0.0	-79.55	445.60	8.61	-70.94
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])=C1	REAL300012493114	0	56	0.0	-64.39	430.67	9.96	-54.43
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300012493115	0	56	0.0	-79.95	439.16	6.66	-73.29
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C1	REAL300012493116	0	53	0.0	-83.77	428.04	9.43	-74.34
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)=C1	REAL300012493117	0	56	0.0	-81.28	423.11	9.14	-72.14
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)=C1	REAL300012493118	0	53	0.0	-86.15	407.52	8.50	-77.65
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300012493119	0	56	0.0	-81.80	428.79	8.88	-72.92
CN(C(=O)NCC1=CC(OCC[NH+](C)C)=CC=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012493120	0	58	0.0	-74.20	452.55	11.60	-62.60
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCC2)=C1	REAL300012493121	0	55	0.0	-78.05	421.24	8.08	-69.97
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493122	0	52	0.0	-81.13	415.04	5.79	-75.34
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493123	0	52	0.0	-82.60	399.88	7.81	-74.79
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012493124	0	55	0.0	-69.71	441.97	11.38	-58.33
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])=C1	REAL300012493125	0	55	0.0	-64.46	423.61	9.26	-55.20
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])=C1	REAL300012493126	0	52	0.0	-84.06	406.06	9.61	-74.45
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])=C1	REAL300012493127	0	49	0.0	-88.14	395.46	8.60	-79.54
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012493128	0	52	0.0	-76.24	434.05	8.57	-67.67
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=C1	REAL300012493129	0	52	0.0	-77.96	412.98	9.14	-68.82
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012493130	0	52	0.0	-76.24	434.05	8.57	-67.67
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012493131	0	56	0.0	-85.91	422.53	9.55	-76.36
COCCCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493132	0	55	0.0	-78.49	439.38	6.39	-72.10
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012493133	0	54	0.0	-75.17	416.93	9.47	-65.70
CCOCC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012493134	0	52	0.0	-81.62	418.75	5.76	-75.86
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])=C1	REAL300012493135	0	57	0.0	-77.20	435.84	8.94	-68.26
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)=C1	REAL300012493136	0	56	0.0	-82.99	436.28	7.10	-75.89
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=C1	REAL300012493137	0	56	0.0	-82.05	440.54	9.94	-72.11
C[C@H]1OCCN(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)[C@@H]1C(=O)[O-]	REAL300012493138	0	53	0.0	-87.67	406.31	8.05	-79.62
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300012493139	0	49	0.0	-79.59	405.90	7.04	-72.55
C[NH+](C)CCOC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)=C1	REAL300012493140	0	52	0.0	-70.42	423.62	9.52	-60.90
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300012493141	0	48	0.0	-71.48	376.06	7.63	-63.85
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C1	REAL300012493142	0	56	0.0	-82.24	438.10	8.51	-73.73
CC(C)C[C@H](NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493554	1	56	0.0	-64.80	427.57	7.82	-56.98
C=CCOCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493555	1	55	0.0	-65.72	435.25	6.20	-59.52
C=CC(C)C(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493556	1	54	0.0	-66.21	415.35	7.29	-58.92
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCOCC3)C=[NH+]2)CC1	REAL300012493557	1	58	0.0	-66.23	439.14	6.47	-59.76
COC1CCN(C(=O)NCC2=CC=C(N3CCC(C)CC3)[NH+]=C2)C(C(=O)[O-])C1	REAL300012493558	1	58	0.0	-76.44	431.61	8.61	-67.83
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCOC3)C=[NH+]2)CC1	REAL300012493559	1	58	0.0	-65.32	433.01	6.32	-59.00
CC1CCN(C2=CC=C(CNC(=O)N3CCC(C)CC3C(=O)[O-])C=[NH+]2)CC1	REAL300012493560	1	57	0.0	-74.44	419.58	9.95	-64.49
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493561	1	53	0.0	-49.47	408.55	9.00	-40.47
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C1CCC1	REAL300012493562	1	57	0.0	-42.03	417.45	10.01	-32.02
CCCN(C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(COC)C(=O)[O-]	REAL300012493563	1	60	0.0	-70.44	451.41	9.92	-60.52
CCCN(C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(CC)C(=O)[O-]	REAL300012493564	1	59	0.0	-64.48	434.83	9.85	-54.63
CC(C)C(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493565	1	53	0.0	-66.24	404.24	7.03	-59.21
CC1CCN(C2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=[NH+]2)CC1	REAL300012493566	1	54	0.0	-75.46	399.22	9.62	-65.84
CC1CCN(C2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=[NH+]2)CC1	REAL300012493567	1	52	0.0	-72.45	398.77	9.35	-63.10
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=[NH+]2)CC1	REAL300012493568	1	57	0.0	-70.66	418.64	8.64	-62.02
CC1CCN(C2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=[NH+]2)CC1	REAL300012493569	1	51	0.0	-70.68	387.89	8.33	-62.35
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=[NH+]2)CC1	REAL300012493570	1	54	0.0	-70.52	404.13	7.53	-62.99
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCCC3)C=[NH+]2)CC1	REAL300012493571	1	60	0.0	-71.47	424.27	9.30	-62.17
CC1CCN(C2=CC=C(CNC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=[NH+]2)CC1	REAL300012493572	1	57	0.0	-68.79	447.56	9.44	-59.35
CC1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C=[NH+]2)CC1	REAL300012493573	1	57	0.0	-49.43	446.03	11.25	-38.18
CC1CCN(C2=CC=C(CNC(=O)NCC(=O)[O-])C=[NH+]2)CC1	REAL300012493574	1	44	0.0	-56.69	346.51	4.57	-52.12
CC1CCN(C2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CC1	REAL300012493575	1	54	0.0	-67.95	425.30	8.50	-59.45
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CC1	REAL300012493576	1	54	0.0	-67.43	425.06	8.58	-58.85
CCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493577	1	50	0.0	-67.03	389.12	6.43	-60.60
CC(C)C(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493578	1	53	0.0	-66.24	404.24	7.03	-59.21
CC1CCN(C2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=[NH+]2)CC1	REAL300012493579	1	47	0.0	-66.27	365.24	7.26	-59.01
CC1CCN(C2=CC=C(CNC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=[NH+]2)CC1	REAL300012493580	1	57	0.0	-68.79	447.56	9.44	-59.35
CC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493581	1	47	0.0	-56.82	367.13	5.43	-51.39
CCC(C)C(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493582	1	56	0.0	-67.22	419.06	7.45	-59.77
CC1CCN(C2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=[NH+]2)CC1	REAL300012493583	1	47	0.0	-66.27	365.24	7.26	-59.01
CC1CCN(C2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=[NH+]2)CC1	REAL300012493584	1	54	0.0	-75.46	399.22	9.62	-65.84
CCCC(C)(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493585	1	56	0.0	-66.84	414.76	7.54	-59.30
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493586	1	53	0.0	-50.49	397.18	8.50	-41.99
CC1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=[NH+]2)CC1	REAL300012493587	1	51	0.0	-67.09	392.00	8.64	-58.45
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493588	1	51	0.0	-49.15	399.86	8.80	-40.35
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493589	1	56	0.0	-48.79	422.96	9.30	-39.49
CC1CCN(C2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=[NH+]2)CC1	REAL300012493590	1	50	0.0	-55.97	379.87	5.80	-50.17
CC1CCN(C2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=[NH+]2)CC1	REAL300012493591	1	54	0.0	-68.30	402.76	7.54	-60.76
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CS3)C=[NH+]2)CC1	REAL300012493592	1	51	0.0	-64.38	416.88	7.58	-56.80
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=[NH+]2)CC1	REAL300012493593	1	57	0.0	-70.66	418.64	8.64	-62.02
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493594	1	53	0.0	-50.49	397.18	8.50	-41.99
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493595	1	53	0.0	-49.47	408.55	9.00	-40.47
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493596	1	50	0.0	-66.54	387.05	8.23	-58.31
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493597	1	56	0.0	-64.58	418.70	7.36	-57.22
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=[NH+]2)CC1	REAL300012493598	1	54	0.0	-70.52	404.13	7.53	-62.99
CCC(C)(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493599	1	53	0.0	-66.46	393.26	6.79	-59.67
CC1CCN(C2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CC1	REAL300012493600	1	57	0.0	-68.33	433.09	9.27	-59.06
C[C@H](NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493601	1	47	0.0	-57.00	367.29	5.40	-51.60
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493602	1	50	0.0	-66.54	387.05	8.23	-58.31
C[C@@H](NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493603	1	47	0.0	-57.11	367.60	5.36	-51.75
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=[NH+]2)CC1	REAL300012493604	1	48	0.0	-71.84	373.46	6.62	-65.22
CC1CCN(C2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=[NH+]2)CC1	REAL300012493605	1	52	0.0	-72.72	390.35	7.04	-65.68
CC1CCN(C2=CC=C(CNC(=O)N(C)C3(C(=O)[O-])CCCCC3)C=[NH+]2)CC1	REAL300012493606	1	60	0.0	-72.59	427.88	9.94	-62.65
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=[NH+]2)CC1	REAL300012493607	1	51	0.0	-68.32	395.50	6.92	-61.40
CC1CCN(C2=CC=C(CNC(=O)N(C)C(C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CC1	REAL300012493608	1	57	0.0	-64.99	432.69	10.06	-54.93
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493609	1	54	0.0	-50.12	418.43	7.41	-42.71
CC1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493610	1	51	0.0	-71.32	388.41	7.84	-63.48
CC1CCN(C2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493611	1	54	0.0	-73.92	398.42	9.15	-64.77
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493612	1	50	0.0	-62.82	379.63	7.39	-55.43
CC1CCN(C2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493613	1	51	0.0	-72.61	387.62	8.16	-64.45
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=[NH+]2)CC1	REAL300012493614	1	51	0.0	-71.34	390.25	7.14	-64.20
C=CCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493615	1	51	0.0	-64.49	402.44	6.87	-57.62
CC1CCN(C2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=[NH+]2)CC1	REAL300012493616	1	54	0.0	-70.54	404.96	8.89	-61.65
CC1CCN(C2=CC=C(CNC(=O)N3CCCCCC3C(=O)[O-])C=[NH+]2)CC1	REAL300012493617	1	57	0.0	-72.14	412.22	9.89	-62.25
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=[NH+]2)CC1	REAL300012493618	1	51	0.0	-68.32	395.50	6.92	-61.40
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493619	1	50	0.0	-62.82	379.64	7.38	-55.44
CCCCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493620	1	56	0.0	-66.45	431.88	8.03	-58.42
CC1CCN(C2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=[NH+]2)CC1	REAL300012493621	1	54	0.0	-70.59	405.02	8.87	-61.72
CC1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=[NH+]2)CC1	REAL300012493622	1	57	0.0	-48.51	423.38	9.81	-38.70
COCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493623	1	51	0.0	-65.71	400.49	4.65	-61.06
CCCCCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493624	1	59	0.0	-66.53	453.37	8.81	-57.72
CC1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCOCC3)C=[NH+]2)CC1	REAL300012493625	1	58	0.0	-49.18	431.83	8.14	-41.04
CC1CCN(C2=CC=C(CNC(=O)N(C)C3(C(=O)[O-])CCCC3)C=[NH+]2)CC1	REAL300012493626	1	57	0.0	-70.96	414.57	9.24	-61.72
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C1CC1	REAL300012493627	1	54	0.0	-63.48	397.93	8.51	-54.97
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C1CC1	REAL300012493628	1	57	0.0	-54.04	426.98	10.10	-43.94
CC1=CC=C(C(NC(=O)NCC2=CC=C(N3CCC(C)CC3)[NH+]=C2)C(=O)[O-])C=C1	REAL300012493629	1	57	0.0	-65.89	446.45	9.24	-56.65
CC1CCN(C2=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=[NH+]2)CC1	REAL300012493630	1	50	0.0	-58.84	404.22	7.14	-51.70
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCSCC3)C=[NH+]2)CC1	REAL300012493631	1	55	0.0	-64.85	416.31	8.32	-56.53
COCC(C)(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493632	1	54	0.0	-71.01	411.50	6.08	-64.93
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493633	1	57	0.0	-63.06	431.26	7.78	-55.28
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493634	1	56	0.0	-48.79	422.96	9.30	-39.49
CC1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=[NH+]2)CC1	REAL300012493635	1	51	0.0	-67.09	392.00	8.64	-58.45
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=[NH+]2)CC1	REAL300012493636	1	52	0.0	-64.51	394.77	4.92	-59.59
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCCC3)C=[NH+]2)CC1	REAL300012493637	1	60	0.0	-68.24	442.20	8.70	-59.54
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOCC3)C=[NH+]2)CC1	REAL300012493638	1	55	0.0	-70.10	410.07	6.14	-63.96
C=CCCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493639	1	54	0.0	-66.82	423.43	7.76	-59.06
CC1CCN(C2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=[NH+]2)CC1	REAL300012493640	1	47	0.0	-54.41	370.75	5.44	-48.97
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493641	1	50	0.0	-62.82	379.64	7.38	-55.44
CCC(CC)(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493642	1	56	0.0	-65.63	409.93	7.69	-57.94
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493643	1	56	0.0	-48.71	417.77	9.56	-39.15
CCC(COC)(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493644	1	57	0.0	-70.25	428.18	6.99	-63.26
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493645	1	60	0.0	-62.93	452.03	8.64	-54.29
CC1CCN(C2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=[NH+]2)CC1	REAL300012493646	1	54	0.0	-67.07	421.24	7.86	-59.21
COCCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493647	1	54	0.0	-66.97	422.55	5.55	-61.42
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493648	1	59	0.0	-64.90	439.85	9.97	-54.93
CC1CCN(C2=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=[NH+]2)CC1	REAL300012493649	1	50	0.0	-66.34	401.23	6.77	-59.57
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493650	1	60	0.0	-73.71	440.18	10.52	-63.19
CCCN(C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012493651	1	56	0.0	-63.76	418.77	9.06	-54.70
CC1CCN(C2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=[NH+]2)CC1	REAL300012493652	1	50	0.0	-66.01	395.72	6.57	-59.44
CC1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCOCC3)C=[NH+]2)CC1	REAL300012493653	1	58	0.0	-49.18	431.83	8.14	-41.04
CC1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCCC3)C=[NH+]2)CC1	REAL300012493654	1	60	0.0	-48.87	440.79	10.52	-38.35
CC1CCN(C2=CC=C(CNC(=O)N[C@]3(C(=O)[O-])CC[C@@H](C)CC3)C=[NH+]2)CC1	REAL300012493655	1	60	0.0	-68.82	432.19	8.85	-59.97
CC1CCN(C2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=[NH+]2)CC1	REAL300012493656	1	53	0.0	-63.72	399.86	6.93	-56.79
CC1CCN(C2=CC=C(CNC(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])C=[NH+]2)CC1	REAL300012493657	1	55	0.0	-54.83	422.05	8.98	-45.85
CC1CCN(C2=CC=C(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493658	1	51	0.0	-65.99	402.70	7.91	-58.08
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493659	1	50	0.0	-61.46	379.64	7.38	-54.08
CC1CCN(C2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=[NH+]2)CC1	REAL300012493660	1	52	0.0	-77.50	395.18	8.97	-68.53
COC1CN(C(=O)NCC2=CC=C(N3CCC(C)CC3)[NH+]=C2)C(C)(C(=O)[O-])C1	REAL300012493661	1	58	0.0	-69.84	437.79	7.91	-61.93
CC1CCN(C2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=[NH+]2)CC1	REAL300012493662	1	56	0.0	-65.34	419.25	7.61	-57.73
C=C(Cl)CC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493663	1	51	0.0	-64.97	417.56	7.50	-57.47
C=C(C)CC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493664	1	54	0.0	-65.08	422.71	7.60	-57.48
CC1CCN(C2=CC=C(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)C=[NH+]2)CC1	REAL300012493665	1	55	0.0	-77.51	407.67	9.81	-67.70
CC1CCN(C2=CC=C(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493666	1	51	0.0	-66.27	400.62	8.33	-57.94
CC1CCN(C2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493667	1	51	0.0	-68.86	395.09	8.14	-60.72
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCC(C)CC3)[NH+]=C2)C1	REAL300012493668	1	52	0.0	-71.87	403.49	8.35	-63.52
CC(C)C[C@H](NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493669	1	56	0.0	-64.80	427.57	7.82	-56.98
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCOCC3)C=[NH+]2)CC1	REAL300012493670	1	58	0.0	-66.23	439.14	6.47	-59.76
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CC1	REAL300012493671	1	54	0.0	-67.43	425.06	8.58	-58.85
CC1CCN(C2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=[NH+]2)CC1	REAL300012493672	1	54	0.0	-67.07	421.24	7.86	-59.21
CC(C)CCCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493673	1	62	0.0	-67.10	471.18	9.27	-57.83
CC1CCN(C2=CC=C(CNC(=O)NC(CC3CCCO3)C(=O)[O-])C=[NH+]2)CC1	REAL300012493674	1	58	0.0	-71.17	445.31	6.79	-64.38
CSCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493675	1	51	0.0	-62.56	412.60	6.83	-55.73
COC[C@H](NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493676	1	51	0.0	-68.37	400.97	4.66	-63.71
CC[C@H](NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493677	1	50	0.0	-64.49	388.88	6.48	-58.01
CCC(C)CC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493678	1	59	0.0	-67.23	445.94	8.44	-58.79
C=CCCCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493679	1	57	0.0	-67.09	444.93	8.54	-58.55
CC1CCN(C2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=[NH+]2)CC1	REAL300012493680	1	52	0.0	-72.45	398.77	9.35	-63.10
CC1CCN(C2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CC1	REAL300012493681	1	57	0.0	-68.33	433.09	9.27	-59.06
CC1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493682	1	51	0.0	-71.32	388.41	7.84	-63.48
CCCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493683	1	53	0.0	-67.00	410.62	7.19	-59.81
CC(C)[C@@H](NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493684	1	53	0.0	-67.38	401.24	6.75	-60.63
CC1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C=[NH+]2)CC1	REAL300012493685	1	55	0.0	-79.29	409.81	9.92	-69.37
CCN(C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(C)(C)C(=O)[O-]	REAL300012493686	1	56	0.0	-69.78	413.80	9.18	-60.60
CCCN(C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012493687	1	56	0.0	-63.76	418.77	9.06	-54.70
CC1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=[NH+]2)CC1	REAL300012493688	1	50	0.0	-61.71	401.67	8.74	-52.97
CC1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=[NH+]2)CC1	REAL300012493689	1	50	0.0	-61.71	401.67	8.74	-52.97
CC1CCN(C2=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=[NH+]2)CC1	REAL300012493690	1	53	0.0	-69.89	394.35	8.31	-61.58
CC1CCN(C2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493691	1	51	0.0	-72.61	387.62	8.16	-64.45
CC1CCN(C2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493692	1	52	0.0	-75.39	399.88	4.66	-70.73
CCC[C@@H](NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493693	1	53	0.0	-66.47	410.38	7.25	-59.22
CC1CCN(C2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CC1	REAL300012493694	1	54	0.0	-67.95	425.30	8.50	-59.45
C=CCCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493695	1	54	0.0	-66.82	423.43	7.76	-59.06
CC1CCN(C2=CC=C(CNC(=O)N3CC(=O)N(C)CC3C(=O)[O-])C=[NH+]2)CC1	REAL300012493696	1	55	0.0	-66.97	415.92	7.62	-59.35
CC1CCN(C2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=[NH+]2)CC1	REAL300012493697	1	54	0.0	-70.86	404.73	8.71	-62.15
CC(C)[C@H](NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493698	1	53	0.0	-66.09	400.24	6.73	-59.36
CC1CCN(C2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CC1	REAL300012493699	1	54	0.0	-65.75	425.03	8.57	-57.18
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493700	1	50	0.0	-61.46	379.64	7.38	-54.08
CCC[C@H](NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493701	1	53	0.0	-66.30	409.78	7.21	-59.09
CCN(C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012493702	1	53	0.0	-63.53	396.83	8.26	-55.27
CC1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=[NH+]2)CC1	REAL300012493703	1	57	0.0	-48.51	423.38	9.81	-38.70
CC(CN(C)C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493704	1	53	0.0	-71.05	400.59	8.16	-62.89
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493705	1	56	0.0	-64.58	418.70	7.36	-57.22
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493706	1	53	0.0	-62.71	399.54	8.42	-54.29
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)C=[NH+]2)CC1	REAL300012493707	1	55	0.0	-71.22	422.52	4.42	-66.80
CC1CCC(NC(=O)NCC2=CC=C(N3CCC(C)CC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012493708	1	57	0.0	-70.73	425.19	8.15	-62.58
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3(C)C)C=[NH+]2)CC1	REAL300012493709	1	60	0.0	-70.89	434.66	8.89	-62.00
COCCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493710	1	54	0.0	-66.97	422.55	5.55	-61.42
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=[NH+]2)CC1	REAL300012493711	1	57	0.0	-71.94	426.69	8.85	-63.09
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=[NH+]2)CC1	REAL300012493712	1	54	0.0	-69.53	412.73	7.78	-61.75
CC1CCN(C2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493713	1	52	0.0	-79.11	398.58	4.82	-74.29
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCOC3)C=[NH+]2)CC1	REAL300012493714	1	55	0.0	-66.37	416.36	5.36	-61.01
CC1CCN(C2=CC=C(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=[NH+]2)CC1	REAL300012493715	1	55	0.0	-75.33	409.83	9.46	-65.87
CC1CCN(C2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)C=[NH+]2)CC1	REAL300012493716	1	53	0.0	-73.45	402.51	7.16	-66.29
CC1CCN(C2=CC=C(CNC(=O)N3CC(C)CCC3C(=O)[O-])C=[NH+]2)CC1	REAL300012493717	1	57	0.0	-74.86	420.14	10.22	-64.64
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=[NH+]2)CC1	REAL300012493718	1	54	0.0	-67.30	408.79	7.38	-59.92
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCCC3)C=[NH+]2)CC1	REAL300012493719	1	60	0.0	-68.24	442.20	8.70	-59.54
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=[NH+]2)CC1	REAL300012493720	1	54	0.0	-67.30	408.79	7.38	-59.92
CC1CCN(C(=O)NCC2=CC=C(N3CCC(C)CC3)[NH+]=C2)C1C(=O)[O-]	REAL300012493721	1	54	0.0	-73.72	404.07	8.49	-65.23
C=CCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493722	1	51	0.0	-64.49	402.44	6.87	-57.62
CC1CCN(C2=CC=C(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493723	1	55	0.0	-48.62	410.75	9.37	-39.25
COC1CC(NC(=O)NCC2=CC=C(N3CCC(C)CC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012493724	1	55	0.0	-73.83	423.72	6.09	-67.74
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=[NH+]2)CC1	REAL300012493725	1	51	0.0	-69.83	398.68	7.16	-62.67
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(N3CCC(C)CC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012493726	1	55	0.0	-67.18	421.98	5.99	-61.19
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493727	1	57	0.0	-73.70	420.78	10.02	-63.68
CC1CCN(C2=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=[NH+]2)CC1	REAL300012493728	1	50	0.0	-58.84	404.22	7.14	-51.70
CC1CCN(C2=CC=C(CNC(=O)NC(CC3CCOC3)C(=O)[O-])C=[NH+]2)CC1	REAL300012493729	1	58	0.0	-69.26	442.68	6.50	-62.76
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=[NH+]2)CC1	REAL300012493730	1	49	0.0	-65.20	381.08	4.18	-61.02
CC(C)C(C)(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493731	1	56	0.0	-67.20	408.18	7.41	-59.79
CC1CCN(C2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493732	1	52	0.0	-76.42	395.22	9.54	-66.88
CC1CCN(C2=CC=C(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493733	1	55	0.0	-75.22	411.32	8.90	-66.32
C=CCSCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493734	1	55	0.0	-61.66	446.20	8.32	-53.34
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493735	1	56	0.0	-64.33	413.83	9.23	-55.10
COC1(C(NC(=O)NCC2=CC=C(N3CCC(C)CC3)[NH+]=C2)C(=O)[O-])CCC1	REAL300012493736	1	58	0.0	-63.86	436.05	6.05	-57.81
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C(F)F)C3)C=[NH+]2)CC1	REAL300012493737	1	54	0.0	-74.47	422.26	7.98	-66.49
CC1CCN(C2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493739	1	51	0.0	-68.86	395.09	8.14	-60.72
CC1CCN(C2=CC=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=[NH+]2)CC1	REAL300012493740	1	53	0.0	-45.15	403.43	9.10	-36.05
CC1CCN(C2=CC=C(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])C=[NH+]2)CC1	REAL300012493741	1	57	0.0	-74.75	424.03	8.98	-65.77
CC(C)CCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493742	1	59	0.0	-66.68	449.44	8.55	-58.13
CC1CCN(C2=CC=C(CNC(=O)N3CC4(CCC4)CC3C(=O)[O-])C=[NH+]2)CC1	REAL300012493743	1	58	0.0	-44.96	435.74	9.76	-35.20
CC1CCN(C2=CC=C(CNC(=O)NC(CC3CCOC3)C(=O)[O-])C=[NH+]2)CC1	REAL300012493744	1	58	0.0	-69.26	442.68	6.50	-62.76
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCC(C)CC3)[NH+]=C2)C1	REAL300012493745	1	55	0.0	-69.53	432.13	9.29	-60.24
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC4CC43)C=[NH+]2)CC1	REAL300012493746	1	58	0.0	-70.20	427.19	9.02	-61.18
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC4CC43)C=[NH+]2)CC1	REAL300012493747	1	55	0.0	-70.03	411.60	8.37	-61.66
CC1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C=[NH+]2)CC1	REAL300012493748	1	58	0.0	-70.25	432.87	8.75	-61.50
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCC3)C=[NH+]2)CC1	REAL300012493749	1	57	0.0	-67.71	430.91	8.14	-59.57
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493750	1	54	0.0	-66.10	419.12	5.65	-60.45
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493751	1	54	0.0	-73.20	412.15	8.16	-65.04
CC1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C=[NH+]2)CC1	REAL300012493752	1	57	0.0	-49.43	446.03	11.25	-38.18
CC1CCN(C2=CC=C(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])C=[NH+]2)CC1	REAL300012493753	1	57	0.0	-48.46	427.71	9.13	-39.33
CC1CCN(C2=CC=C(CNC(=O)N3CCC(F)(F)CC3C(=O)[O-])C=[NH+]2)CC1	REAL300012493754	1	54	0.0	-72.50	410.06	9.45	-63.05
CC1CCN(C2=CC=C(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])C=[NH+]2)CC1	REAL300012493755	1	51	0.0	-74.43	399.56	8.47	-65.96
CC1CCN(C2=CC=C(CNC(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C=[NH+]2)CC1	REAL300012493756	1	54	0.0	-64.18	417.06	9.00	-55.18
CC1CCN(C2=CC=C(CNC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493757	1	58	0.0	-75.58	426.72	9.44	-66.14
COCCCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493758	1	57	0.0	-65.75	444.05	6.32	-59.43
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493759	1	56	0.0	-63.64	422.09	9.33	-54.31
CCOCC(NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300012493760	1	54	0.0	-66.05	422.35	5.62	-60.43
CC1CCN(C2=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=[NH+]2)CC1	REAL300012493761	1	59	0.0	-64.73	439.09	8.83	-55.90
CC1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCCO3)C=[NH+]2)CC1	REAL300012493762	1	58	0.0	-70.29	439.61	6.56	-63.73
CC1CCN(C2=CC=C(CNC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])C=[NH+]2)CC1	REAL300012493763	1	55	0.0	-74.51	410.59	7.92	-66.59
CC1CCN(C2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=[NH+]2)CC1	REAL300012493764	1	51	0.0	-68.52	409.73	6.99	-61.53
CC1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CO3)C=[NH+]2)CC1	REAL300012493765	1	54	0.0	-50.51	427.71	9.38	-41.13
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300012493766	1	50	0.0	-62.82	379.63	7.39	-55.43
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCC(C)CC3)[NH+]=C2)C1	REAL300012493767	1	58	0.0	-68.00	442.19	8.38	-59.62
CC(C)C[C@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493768	1	50	0.0	-63.90	391.66	6.31	-57.59
C=CCOCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493769	1	49	0.0	-67.66	395.86	4.73	-62.93
C=CC(C)C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493770	1	48	0.0	-63.83	380.77	6.09	-57.74
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCOCC1	REAL300012493771	1	52	0.0	-65.81	396.35	4.94	-60.87
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1=CC=C(F)C(F)=C1	REAL300012493772	1	48	0.0	-60.35	398.13	7.13	-53.22
COC1CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(C(=O)[O-])C1	REAL300012493773	1	52	0.0	-75.24	393.68	6.96	-68.28
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCCOC1	REAL300012493774	1	52	0.0	-65.33	397.69	4.72	-60.61
CC1CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(C(=O)[O-])C1	REAL300012493775	1	51	0.0	-74.08	376.97	8.25	-65.83
CC1=CC(C(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])=CC=C1F	REAL300012493776	1	51	0.0	-62.45	416.10	7.68	-54.77
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1=CC=C2OCCC2=C1	REAL300012493777	1	53	0.0	-65.09	425.29	6.82	-58.27
CC1=CC(C(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])=CC(C)=C1	REAL300012493778	1	54	0.0	-65.65	431.93	8.39	-57.26
CC1=CC=C(C(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])C=C1C	REAL300012493779	1	54	0.0	-65.75	427.54	8.27	-57.48
CC1=CC=CC(C(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])=C1C	REAL300012493780	1	54	0.0	-64.68	418.80	8.06	-56.62
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493781	1	47	0.0	-51.33	368.67	7.51	-43.82
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCC1	REAL300012493782	1	51	0.0	-38.81	378.66	8.51	-30.30
CCCN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(COC)C(=O)[O-]	REAL300012493783	1	54	0.0	-66.68	411.41	8.45	-58.23
CCCN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(CC)C(=O)[O-]	REAL300012493784	1	53	0.0	-55.50	394.31	8.36	-47.14
CC(C)C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493785	1	47	0.0	-64.07	360.69	5.34	-58.73
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493786	1	48	0.0	-74.50	363.78	8.10	-66.40
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1=CC=C(Cl)C=C1	REAL300012493787	1	48	0.0	-61.44	405.48	7.53	-53.91
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493788	1	46	0.0	-71.75	362.87	7.84	-63.91
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCCCC1	REAL300012493789	1	51	0.0	-69.81	382.73	7.12	-62.69
O=C([O-])C1CCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493790	1	45	0.0	-69.86	351.96	6.83	-63.03
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCCC1	REAL300012493791	1	48	0.0	-69.72	368.22	6.03	-63.69
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCCCCC1	REAL300012493792	1	54	0.0	-70.73	388.36	7.79	-62.94
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493793	1	51	0.0	-65.97	407.43	8.01	-57.96
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493794	1	51	0.0	-48.04	410.12	9.74	-38.30
O=C([O-])[C@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012493795	1	48	0.0	-67.09	389.40	6.98	-60.11
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012493796	1	48	0.0	-65.42	385.18	7.09	-58.33
CCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493797	1	44	0.0	-64.06	349.00	5.00	-59.06
CC(C)C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493798	1	47	0.0	-64.07	360.69	5.34	-58.73
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493799	1	51	0.0	-65.97	407.43	8.01	-57.96
CCC(C)C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493800	1	50	0.0	-67.47	384.22	6.15	-61.32
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493801	1	48	0.0	-74.50	363.78	8.10	-66.40
CCCC(C)(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493802	1	50	0.0	-64.37	374.88	6.06	-58.31
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493803	1	47	0.0	-52.08	357.57	7.02	-45.06
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CC1	REAL300012493804	1	45	0.0	-46.70	354.69	7.15	-39.55
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493805	1	45	0.0	-51.06	359.98	7.31	-43.75
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493806	1	50	0.0	-51.24	383.33	8.03	-43.21
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493807	1	52	0.0	-74.34	400.91	9.98	-64.36
CC(C)(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493808	1	44	0.0	-54.96	339.99	4.31	-50.65
CC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)(C(=O)[O-])C1CC1	REAL300012493809	1	48	0.0	-67.44	366.85	6.04	-61.40
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1=CC=CS1	REAL300012493810	1	45	0.0	-65.21	381.01	6.08	-59.13
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCCCC1	REAL300012493811	1	51	0.0	-69.81	382.73	7.12	-62.69
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493812	1	47	0.0	-52.08	357.57	7.02	-45.06
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493813	1	47	0.0	-51.33	368.67	7.51	-43.82
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493814	1	44	0.0	-64.20	347.17	6.75	-57.45
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493815	1	50	0.0	-65.03	384.46	5.87	-59.16
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCCC1	REAL300012493816	1	48	0.0	-69.72	368.22	6.03	-63.69
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493817	1	51	0.0	-46.34	416.55	9.80	-36.54
CCC(C)(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493818	1	47	0.0	-64.13	353.38	5.30	-58.83
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC2=CC=CC=C2C1	REAL300012493819	1	52	0.0	-68.24	407.33	8.16	-60.08
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1=CC(F)=CC=C1F	REAL300012493820	1	48	0.0	-66.54	399.96	7.22	-59.32
CC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012493821	1	51	0.0	-67.49	397.18	7.76	-59.73
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493822	1	44	0.0	-64.20	347.17	6.75	-57.45
CCCCCCC(C)(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493823	1	59	0.0	-64.54	439.37	8.39	-56.15
CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012493824	1	54	0.0	-64.14	416.24	9.88	-54.26
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1	REAL300012493825	1	42	0.0	-71.08	337.54	5.12	-65.96
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1=CC=C(Cl)C=C1	REAL300012493826	1	48	0.0	-61.44	405.48	7.53	-53.91
O=C([O-])C1COCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493827	1	46	0.0	-71.93	354.46	5.53	-66.40
CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1(C(=O)[O-])CCCCC1	REAL300012493828	1	54	0.0	-71.82	391.99	8.45	-63.37
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CC1	REAL300012493829	1	45	0.0	-66.65	357.45	5.39	-61.26
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493830	1	54	0.0	-52.37	428.58	10.53	-41.84
CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012493831	1	51	0.0	-62.98	396.66	8.56	-54.42
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493832	1	48	0.0	-51.79	378.55	5.94	-45.85
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCC2=CC=CC=C21	REAL300012493833	1	52	0.0	-71.40	404.29	8.10	-63.30
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493834	1	45	0.0	-70.32	352.75	6.51	-63.81
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493835	1	48	0.0	-73.16	362.90	7.83	-65.33
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493836	1	44	0.0	-62.14	344.24	5.98	-56.16
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493837	1	45	0.0	-72.08	351.97	6.83	-65.25
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCC1	REAL300012493838	1	45	0.0	-70.51	354.35	5.63	-64.88
C=CCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493839	1	45	0.0	-65.78	362.55	5.39	-60.39
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493840	1	48	0.0	-69.68	369.13	7.38	-62.30
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493841	1	51	0.0	-71.10	376.30	8.38	-62.72
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CC1	REAL300012493842	1	45	0.0	-66.65	357.45	5.39	-61.26
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493843	1	44	0.0	-60.69	340.27	6.01	-54.68
CCCCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493844	1	50	0.0	-64.56	392.24	6.49	-58.07
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493845	1	54	0.0	-52.37	428.58	10.53	-41.84
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493846	1	48	0.0	-69.69	369.13	7.35	-62.34
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCCC1	REAL300012493847	1	51	0.0	-49.04	381.53	8.09	-40.95
COCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493848	1	45	0.0	-67.16	360.61	3.16	-64.00
CCCCCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493849	1	53	0.0	-64.54	413.74	7.27	-57.27
CCC1CCC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)(C(=O)[O-])CC1	REAL300012493850	1	57	0.0	-68.20	417.82	8.39	-59.81
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCOCC1	REAL300012493851	1	52	0.0	-51.14	391.95	6.66	-44.48
CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1(C(=O)[O-])CCCC1	REAL300012493852	1	51	0.0	-70.01	378.66	7.75	-62.26
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CC1	REAL300012493853	1	48	0.0	-52.04	369.62	7.31	-44.73
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CC1	REAL300012493854	1	51	0.0	-53.04	390.05	8.50	-44.54
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1=CC=CC=C1Cl	REAL300012493855	1	48	0.0	-66.24	399.47	7.40	-58.84
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1=CC=CC=C1F	REAL300012493856	1	48	0.0	-71.15	393.80	7.08	-64.07
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493857	1	52	0.0	-53.81	404.42	9.44	-44.37
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493858	1	57	0.0	-64.29	433.31	8.18	-56.11
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493859	1	54	0.0	-52.16	417.94	10.61	-41.55
CC1=CC=C(C(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])C=C1	REAL300012493860	1	51	0.0	-65.42	410.79	7.67	-57.75
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493861	1	44	0.0	-60.47	365.17	5.63	-54.84
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCSCC1	REAL300012493862	1	49	0.0	-63.97	380.40	6.81	-57.16
COCC(C)(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493863	1	48	0.0	-68.56	371.62	4.58	-63.98
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493864	1	51	0.0	-63.67	391.68	6.43	-57.24
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493865	1	50	0.0	-51.24	383.33	8.03	-43.21
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493866	1	57	0.0	-49.05	430.27	10.21	-38.84
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CC1	REAL300012493867	1	45	0.0	-46.70	354.69	7.15	-39.55
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493868	1	47	0.0	-51.74	386.80	7.89	-43.85
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCOC1	REAL300012493869	1	46	0.0	-63.58	358.86	3.41	-60.17
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCCCC1	REAL300012493870	1	54	0.0	-65.79	402.30	7.22	-58.57
CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(COC1CCC1)C(=O)[O-]	REAL300012493871	1	55	0.0	-64.88	422.51	7.69	-57.19
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493872	1	55	0.0	-72.83	427.30	11.10	-61.73
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCOCC1	REAL300012493873	1	49	0.0	-69.27	374.16	4.63	-64.64
C=CCCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493874	1	48	0.0	-63.90	383.31	6.32	-57.58
O=C([O-])C(CF)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493875	1	41	0.0	-53.99	330.86	3.95	-50.04
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493876	1	54	0.0	-46.33	418.56	10.77	-35.56
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493877	1	44	0.0	-60.69	340.27	6.01	-54.68
CCC(CC)(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493878	1	50	0.0	-65.34	369.77	6.20	-59.14
COC1=CC=C(C(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])C=C1	REAL300012493879	1	52	0.0	-64.63	418.24	6.31	-58.32
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493880	1	50	0.0	-50.61	377.89	8.08	-42.53
CCC(COC)(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493881	1	51	0.0	-71.90	388.30	5.49	-66.41
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493882	1	54	0.0	-63.72	412.02	7.17	-56.55
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCS(=O)(=O)CC1	REAL300012493883	1	51	0.0	-71.42	399.27	3.11	-68.31
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493884	1	48	0.0	-66.23	385.34	6.34	-59.89
COCCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493885	1	48	0.0	-64.35	382.68	4.06	-60.29
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493886	1	53	0.0	-61.28	398.07	8.32	-52.96
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493887	1	44	0.0	-59.40	359.62	5.52	-53.88
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493888	1	54	0.0	-73.05	404.23	9.06	-63.99
CCCN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012493889	1	50	0.0	-43.96	379.37	8.41	-35.55
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493890	1	54	0.0	-40.45	420.87	10.57	-29.88
CCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012493891	1	54	0.0	-67.17	410.17	8.68	-58.49
COC1CCCC(C(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])C1	REAL300012493892	1	58	0.0	-67.40	442.41	6.39	-61.01
O=C([O-])C(CCF)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493893	1	44	0.0	-63.52	355.83	5.08	-58.44
COC1(CC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])CCC1	REAL300012493894	1	55	0.0	-66.42	423.55	6.25	-60.17
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCOCC1	REAL300012493895	1	52	0.0	-51.14	391.95	6.66	-44.48
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCCCC1	REAL300012493896	1	54	0.0	-51.30	404.87	9.01	-42.29
C[C@H]1CC[C@@](NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)(C(=O)[O-])CC1	REAL300012493897	1	54	0.0	-70.11	396.53	7.51	-62.60
COC1=CC=CC(C(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])=C1	REAL300012493898	1	52	0.0	-69.65	414.87	6.30	-63.35
CC(CCF)(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493899	1	47	0.0	-61.30	359.97	5.45	-55.85
O=C([O-])C1C2=C(CCN1C(=O)NCC1=CC=C(N3CCCC3)[NH+]=C1)OC=C2	REAL300012493900	1	49	0.0	-51.78	387.00	7.62	-44.16
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493901	1	45	0.0	-65.16	367.05	6.57	-58.59
COC1=CC=CC([C@H](NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])=C1	REAL300012493902	1	52	0.0	-67.83	418.85	6.27	-61.56
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493903	1	44	0.0	-60.53	344.24	5.99	-54.54
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300012493904	1	54	0.0	-73.66	418.18	8.75	-64.91
COC1=CC=CC(CC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])=C1	REAL300012493905	1	55	0.0	-64.51	441.09	7.23	-57.28
CC1(C)CCCC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012493906	1	57	0.0	-71.26	410.65	7.99	-63.27
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493907	1	46	0.0	-76.35	359.09	7.44	-68.91
COC1CN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(C)(C(=O)[O-])C1	REAL300012493908	1	52	0.0	-67.95	397.91	6.43	-61.52
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493909	1	55	0.0	-63.45	420.39	6.43	-57.02
CC(C)(C)[C@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493910	1	50	0.0	-63.70	382.38	6.03	-57.67
C=C(Cl)CC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493911	1	45	0.0	-67.12	378.51	5.99	-61.13
C=C(C)CC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493912	1	48	0.0	-66.46	383.12	6.14	-60.32
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493913	1	49	0.0	-78.77	373.81	8.26	-70.51
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493914	1	45	0.0	-65.72	364.96	7.00	-58.72
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493915	1	45	0.0	-67.66	358.48	6.92	-60.74
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300012493916	1	46	0.0	-70.15	366.18	6.90	-63.25
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493917	1	55	0.0	-68.10	424.68	5.73	-62.37
CC(C)C[C@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493918	1	50	0.0	-63.90	391.66	6.31	-57.59
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCOCC1	REAL300012493919	1	52	0.0	-65.81	396.35	4.94	-60.87
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012493920	1	48	0.0	-65.42	385.18	7.09	-58.33
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493921	1	48	0.0	-66.23	385.34	6.34	-59.89
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493922	1	47	0.0	-62.93	398.19	5.09	-57.84
CC(C)CCCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493923	1	56	0.0	-64.57	431.31	7.78	-56.79
O=C([O-])C(CC1CCCO1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493924	1	52	0.0	-69.02	405.43	5.32	-63.70
CSCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493925	1	45	0.0	-63.44	372.71	5.36	-58.08
COC[C@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493926	1	45	0.0	-65.42	365.08	3.16	-62.26
CC[C@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493927	1	44	0.0	-63.65	352.98	4.98	-58.67
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493928	1	51	0.0	-65.71	418.06	7.99	-57.72
CCC(C)CC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493929	1	53	0.0	-64.66	406.01	6.96	-57.70
C=CCCCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493930	1	51	0.0	-64.65	405.05	7.05	-57.60
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493931	1	51	0.0	-63.91	417.99	8.00	-55.91
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493932	1	46	0.0	-71.75	362.87	7.84	-63.91
CC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012493933	1	51	0.0	-67.49	397.18	7.76	-59.73
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493934	1	45	0.0	-70.32	352.75	6.51	-63.81
CCCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493935	1	47	0.0	-64.56	370.74	5.71	-58.85
CC(C)[C@@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493936	1	47	0.0	-66.51	365.33	5.24	-61.27
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493937	1	49	0.0	-76.83	373.30	8.40	-68.43
CCN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(C)(C)C(=O)[O-]	REAL300012493938	1	50	0.0	-67.23	373.79	7.62	-59.61
CCCN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012493939	1	50	0.0	-43.96	379.37	8.41	-35.55
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493940	1	44	0.0	-60.23	361.79	7.26	-52.97
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493941	1	44	0.0	-60.23	361.79	7.26	-52.97
CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(C)(C)C(=O)[O-]	REAL300012493942	1	47	0.0	-67.33	353.94	6.91	-60.42
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493943	1	45	0.0	-72.08	351.97	6.83	-65.25
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493944	1	57	0.0	-52.25	435.51	5.23	-47.02
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493945	1	46	0.0	-74.65	363.98	3.15	-71.50
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493946	1	52	0.0	-49.16	406.20	9.69	-39.47
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)[C@H]1C(=O)[O-]	REAL300012493947	1	55	0.0	-56.98	415.87	9.97	-47.01
CCC[C@@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493948	1	47	0.0	-65.79	374.47	5.74	-60.05
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493949	1	53	0.0	-64.09	409.07	8.12	-55.97
O=C([O-])[C@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012493950	1	48	0.0	-67.09	389.40	6.98	-60.11
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493951	1	53	0.0	-67.95	424.70	6.97	-60.98
C=CCCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493952	1	48	0.0	-63.90	383.31	6.32	-57.58
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493953	1	47	0.0	-68.88	397.92	4.99	-63.89
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493954	1	48	0.0	-81.45	382.47	4.40	-77.05
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1=O	REAL300012493955	1	49	0.0	-66.06	379.96	6.10	-59.96
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493956	1	48	0.0	-69.86	369.07	7.38	-62.48
CC(C)[C@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493957	1	47	0.0	-66.77	366.28	5.52	-61.25
O=C([O-])[C@@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012493958	1	48	0.0	-64.92	389.13	7.07	-57.85
CC(CN1C=CC=N1)(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493959	1	51	0.0	-68.96	398.82	6.33	-62.63
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493960	1	44	0.0	-60.53	344.24	5.99	-54.54
CCC[C@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493961	1	47	0.0	-66.30	370.74	5.71	-60.59
CCN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012493962	1	47	0.0	-61.15	356.44	6.68	-54.47
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCCC1	REAL300012493963	1	51	0.0	-49.04	381.53	8.09	-40.95
CC(CN(C)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493964	1	47	0.0	-70.87	361.53	6.70	-64.17
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493965	1	50	0.0	-65.03	384.46	5.87	-59.16
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493966	1	47	0.0	-61.91	363.63	6.91	-55.00
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC(CO)C1	REAL300012493967	1	49	0.0	-70.41	386.61	2.92	-67.49
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493968	1	57	0.0	-65.18	435.47	6.26	-58.92
CC1CCC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012493969	1	51	0.0	-69.89	389.28	6.65	-63.24
CC1(C)CCCC1(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493970	1	54	0.0	-67.75	398.75	7.38	-60.37
COCCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493971	1	48	0.0	-64.35	382.68	4.06	-60.29
CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012493972	1	54	0.0	-64.14	416.24	9.88	-54.26
CC1(C)CC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012493973	1	51	0.0	-69.98	386.79	7.36	-62.62
CC1(C(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])CC1	REAL300012493974	1	48	0.0	-67.84	374.68	6.25	-61.59
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493975	1	57	0.0	-67.94	437.53	6.14	-61.80
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493976	1	46	0.0	-78.31	362.68	3.31	-75.00
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCOC1	REAL300012493977	1	49	0.0	-65.51	380.45	3.85	-61.66
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493978	1	49	0.0	-74.48	373.94	7.95	-66.53
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1=CNC2=CC=CC=C21	REAL300012493979	1	52	0.0	-74.26	421.05	7.13	-67.13
O=C([O-])C12COC(CN1C(=O)NCC1=CC=C(N3CCCC3)[NH+]=C1)C2	REAL300012493980	1	47	0.0	-72.35	366.27	5.72	-66.63
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300012493981	1	51	0.0	-74.43	384.32	8.72	-65.71
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493982	1	54	0.0	-64.20	422.78	8.30	-55.90
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493983	1	55	0.0	-64.49	425.93	8.05	-56.44
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCC1	REAL300012493984	1	48	0.0	-67.12	379.98	5.96	-61.16
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCCCC1	REAL300012493985	1	54	0.0	-65.79	402.30	7.22	-58.57
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCC1	REAL300012493986	1	48	0.0	-67.12	379.98	5.96	-61.16
CC1CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1C(=O)[O-]	REAL300012493987	1	48	0.0	-72.91	368.15	6.99	-65.92
C=CCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012493988	1	45	0.0	-65.78	362.55	5.39	-60.39
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493989	1	55	0.0	-67.40	427.18	6.15	-61.25
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493990	1	55	0.0	-45.04	399.58	8.64	-36.40
CC1(C)CC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)(C(=O)[O-])CCO1	REAL300012493991	1	55	0.0	-70.43	403.25	5.94	-64.49
CC1=CC=CC2=C1CCN(C(=O)NCC1=CC=C(N3CCCC3)[NH+]=C1)C2C(=O)[O-]	REAL300012493992	1	55	0.0	-52.99	421.69	9.97	-43.02
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493993	1	49	0.0	-47.26	374.85	7.86	-39.40
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493994	1	55	0.0	-64.49	425.93	8.05	-56.44
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012493995	1	51	0.0	-69.79	418.06	7.99	-61.80
COC1CC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012493996	1	49	0.0	-73.12	387.81	4.59	-68.53
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC(F)(F)C1	REAL300012493997	1	45	0.0	-69.07	362.77	5.65	-63.42
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012493998	1	49	0.0	-66.07	386.42	4.89	-61.18
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1(C(F)(F)F)CC1	REAL300012493999	1	48	0.0	-69.34	393.34	6.67	-62.67
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494000	1	51	0.0	-72.91	384.87	8.52	-64.39
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494001	1	44	0.0	-60.47	365.17	5.63	-54.84
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494002	1	52	0.0	-67.22	403.35	5.05	-62.17
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)COC1	REAL300012494003	1	43	0.0	-64.39	345.17	2.67	-61.72
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494004	1	48	0.0	-65.46	403.52	6.99	-58.47
COCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012494005	1	55	0.0	-64.67	430.15	6.96	-57.71
CC(C)C(C)(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494006	1	50	0.0	-65.18	370.11	5.99	-59.19
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494007	1	46	0.0	-74.11	358.91	7.98	-66.13
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494008	1	49	0.0	-74.38	375.18	7.41	-66.97
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494009	1	54	0.0	-40.45	420.87	10.57	-29.88
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494010	1	57	0.0	-64.29	433.31	8.18	-56.11
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494011	1	54	0.0	-67.50	430.65	8.73	-58.77
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494012	1	54	0.0	-66.95	434.38	8.76	-58.19
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CC2CCC1C2	REAL300012494013	1	55	0.0	-68.15	415.00	7.77	-60.38
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494014	1	57	0.0	-67.07	433.55	8.11	-58.96
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494015	1	57	0.0	-64.26	433.34	8.20	-56.06
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494016	1	55	0.0	-43.01	409.77	8.82	-34.19
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494017	1	55	0.0	-72.38	409.48	8.59	-63.79
COC1=CC=C(CC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])C=C1	REAL300012494018	1	55	0.0	-66.61	436.28	7.26	-59.35
C=CCSCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494019	1	49	0.0	-62.69	406.31	6.83	-55.86
N#CC1=CC=C(CC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])C=C1	REAL300012494020	1	52	0.0	-66.62	427.60	8.35	-58.27
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494021	1	50	0.0	-61.89	373.95	7.75	-54.14
COC1(C(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])CCC1	REAL300012494022	1	52	0.0	-62.79	396.35	4.61	-58.18
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCC(C(F)F)CC1	REAL300012494023	1	54	0.0	-67.15	414.34	7.91	-59.24
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCC2=CC=CC=C2C1	REAL300012494024	1	55	0.0	-67.84	420.65	9.05	-58.79
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC(C(F)F)C1	REAL300012494025	1	48	0.0	-72.31	386.58	6.42	-65.89
CC(C)C1=CC=C(C(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])C=C1	REAL300012494027	1	57	0.0	-66.29	449.36	9.00	-57.29
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494028	1	45	0.0	-67.66	358.48	6.92	-60.74
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494029	1	47	0.0	-43.58	367.53	7.59	-35.99
CC1(C)CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1C(=O)[O-]	REAL300012494030	1	51	0.0	-73.88	388.12	7.47	-66.41
CCOC1=CC=C(C(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C(=O)[O-])C=C1	REAL300012494031	1	55	0.0	-65.15	440.70	7.21	-57.94
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494032	1	55	0.0	-73.93	408.50	9.50	-64.43
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCC2=CC=CC=C21	REAL300012494033	1	55	0.0	-67.96	431.37	8.84	-59.12
CC(COC1=CC=CC=C1)(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494034	1	55	0.0	-70.06	431.81	8.03	-62.03
CC(C)CCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494035	1	53	0.0	-64.20	409.56	7.06	-57.14
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494036	1	52	0.0	-43.34	399.83	8.25	-35.09
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494037	1	52	0.0	-67.22	403.35	5.05	-62.17
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300012494038	1	49	0.0	-70.45	396.34	7.81	-62.64
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCCC2CC21	REAL300012494039	1	52	0.0	-69.44	391.29	7.51	-61.93
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCC2CC21	REAL300012494040	1	49	0.0	-69.12	375.70	6.86	-62.26
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC2(CCC2)C1	REAL300012494041	1	52	0.0	-69.42	396.97	7.25	-62.17
CN(C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012494042	1	54	0.0	-66.96	422.25	9.90	-57.06
O=C([O-])C1CC2(CN1C(=O)NCC1=CC=C(N3CCCC3)[NH+]=C1)CCCCC2	REAL300012494043	1	58	0.0	-46.89	428.01	9.28	-37.61
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCCC1	REAL300012494044	1	51	0.0	-67.77	396.65	6.61	-61.16
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494045	1	48	0.0	-65.19	383.22	4.15	-61.04
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494046	1	48	0.0	-72.39	376.24	6.65	-65.74
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494047	1	51	0.0	-48.04	410.12	9.74	-38.30
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300012494048	1	51	0.0	-47.12	391.80	7.62	-39.50
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494049	1	48	0.0	-71.75	374.14	7.94	-63.81
O=C([O-])C1N(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCC1(F)F	REAL300012494050	1	45	0.0	-73.61	363.65	6.96	-66.65
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494051	1	51	0.0	-69.79	418.06	7.99	-61.80
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494052	1	48	0.0	-66.27	402.48	6.85	-59.42
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494053	1	48	0.0	-63.36	381.17	7.49	-55.87
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC2(CC(F)(F)C2)C1	REAL300012494054	1	52	0.0	-70.46	416.43	7.66	-62.80
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494055	1	48	0.0	-66.27	402.48	6.85	-59.42
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494056	1	52	0.0	-72.50	390.92	8.17	-64.33
COCCCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494057	1	51	0.0	-64.05	404.41	4.78	-59.27
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494058	1	50	0.0	-61.35	382.21	7.85	-53.50
CCOCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494059	1	48	0.0	-68.04	382.95	4.15	-63.89
CC(C)(C)CC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494060	1	53	0.0	-67.09	400.08	7.32	-59.77
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CCCCO1	REAL300012494061	1	52	0.0	-68.32	401.95	5.07	-63.25
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC2=CC=CC=C2C1	REAL300012494062	1	52	0.0	-68.24	407.33	8.16	-60.08
C[C@H]1OCCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)[C@@H]1C(=O)[O-]	REAL300012494063	1	49	0.0	-71.16	373.96	6.16	-65.00
N#CCCC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494064	1	45	0.0	-66.20	370.10	5.44	-60.76
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494065	1	48	0.0	-52.07	387.83	7.90	-44.17
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300012494066	1	44	0.0	-62.14	344.24	5.98	-56.16
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300012494067	1	52	0.0	-67.14	406.29	6.87	-60.27
CC(C)C[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494068	1	51	0.0	-71.18	397.83	4.76	-66.42
C=CC(C)C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494070	1	49	0.0	-67.83	389.42	4.56	-63.27
COC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C(C(=O)[O-])C1	REAL300012494072	1	53	0.0	-79.53	401.39	5.31	-74.22
CC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C(C(=O)[O-])C1	REAL300012494074	1	52	0.0	-81.09	383.59	6.94	-74.15
CC1=CC(C(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C(=O)[O-])=CC(C)=C1	REAL300012494075	1	55	0.0	-71.34	438.16	6.87	-64.47
CC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C(=O)[O-])C=C1C	REAL300012494076	1	55	0.0	-73.22	433.95	6.66	-66.56
CC1=CC=CC(C(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C(=O)[O-])=C1C	REAL300012494077	1	55	0.0	-71.69	424.61	6.48	-65.21
CCCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494078	1	48	0.0	-57.20	378.83	5.97	-51.23
CC(C(=O)[O-])N(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CCC1	REAL300012494079	1	52	0.0	-56.62	391.88	6.36	-50.26
CCCN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(COC)C(=O)[O-]	REAL300012494080	1	55	0.0	-73.50	420.66	6.91	-66.59
CCCN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(CC)C(=O)[O-]	REAL300012494081	1	54	0.0	-52.01	402.27	7.59	-44.42
CC(C)C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494082	1	48	0.0	-71.71	376.44	3.96	-67.75
O=C([O-])C1CCCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494083	1	49	0.0	-80.70	369.46	6.59	-74.11
O=C([O-])C1CSCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494084	1	47	0.0	-77.33	369.28	6.43	-70.90
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCCCC1	REAL300012494085	1	52	0.0	-73.36	388.92	5.61	-67.75
O=C([O-])C1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494086	1	46	0.0	-77.29	358.15	5.30	-71.99
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCCC1	REAL300012494087	1	49	0.0	-75.35	373.80	4.47	-70.88
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCCCCC1	REAL300012494088	1	55	0.0	-74.10	394.58	6.27	-67.83
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494089	1	52	0.0	-70.89	417.59	6.47	-64.42
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494090	1	52	0.0	-57.12	416.33	8.22	-48.90
O=C([O-])[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1=CC=CC=C1	REAL300012494091	1	49	0.0	-70.58	395.34	5.55	-65.03
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1=CC=CC=C1	REAL300012494092	1	49	0.0	-71.76	394.94	5.49	-66.27
CCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494093	1	45	0.0	-71.19	359.40	3.39	-67.80
CC(C)C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494094	1	48	0.0	-71.71	376.44	3.96	-67.75
CN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494095	1	42	0.0	-69.06	335.52	4.23	-64.83
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494096	1	52	0.0	-70.89	417.59	6.47	-64.42
CC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494097	1	42	0.0	-61.38	337.89	2.34	-59.04
CCC(C)C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494098	1	51	0.0	-69.84	389.34	4.42	-65.42
CN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494099	1	42	0.0	-69.06	335.52	4.23	-64.83
O=C([O-])C1CCCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494100	1	49	0.0	-80.70	369.46	6.59	-74.11
CCCC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494101	1	51	0.0	-71.14	385.04	4.53	-66.61
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494102	1	48	0.0	-58.14	367.45	5.48	-52.66
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CC1	REAL300012494103	1	46	0.0	-69.84	362.27	5.60	-64.24
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494104	1	46	0.0	-56.93	370.14	5.77	-51.16
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494105	1	51	0.0	-57.14	393.49	6.49	-50.65
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494106	1	53	0.0	-79.96	407.10	8.46	-71.50
CC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494107	1	45	0.0	-59.74	350.15	2.77	-56.97
CC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)(C(=O)[O-])C1CC1	REAL300012494108	1	49	0.0	-71.19	373.04	4.52	-66.67
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1=CC=CS1	REAL300012494109	1	46	0.0	-70.41	387.14	4.55	-65.86
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCCCC1	REAL300012494110	1	52	0.0	-73.36	388.92	5.61	-67.75
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494111	1	48	0.0	-58.14	367.45	5.48	-52.66
CCCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494112	1	48	0.0	-57.20	378.83	5.97	-51.23
CCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494113	1	45	0.0	-69.19	357.33	5.21	-63.98
CC[C@H](C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494114	1	51	0.0	-70.97	388.99	4.33	-66.64
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCCC1	REAL300012494115	1	49	0.0	-75.35	373.80	4.47	-70.88
CCC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494116	1	48	0.0	-70.85	363.54	3.77	-67.08
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC2=CC=CC=C2C1	REAL300012494117	1	53	0.0	-72.46	413.49	6.64	-65.82
CC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012494118	1	52	0.0	-72.83	403.36	6.24	-66.59
C[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494119	1	42	0.0	-61.43	337.57	2.37	-59.06
CCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494120	1	45	0.0	-69.19	357.33	5.21	-63.98
CCCCCCC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494121	1	60	0.0	-71.32	449.53	6.86	-64.46
CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012494122	1	55	0.0	-68.90	426.91	8.44	-60.46
C[C@@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494123	1	42	0.0	-60.92	337.57	2.37	-58.55
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC1	REAL300012494124	1	43	0.0	-75.46	343.72	3.59	-71.87
O=C([O-])C1COCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494125	1	47	0.0	-76.30	360.26	3.86	-72.44
CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1(C(=O)[O-])CCCCC1	REAL300012494126	1	55	0.0	-76.96	398.15	6.92	-70.04
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CC1	REAL300012494127	1	46	0.0	-70.36	366.32	3.87	-66.49
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494128	1	55	0.0	-58.23	438.74	8.99	-49.24
CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012494129	1	52	0.0	-70.70	406.70	7.35	-63.35
COCCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494130	1	49	0.0	-57.67	388.71	4.39	-53.28
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCC2=CC=CC=C21	REAL300012494131	1	53	0.0	-75.76	410.27	6.57	-69.19
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494132	1	46	0.0	-77.89	358.92	4.99	-72.90
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494133	1	49	0.0	-80.00	368.95	6.29	-73.71
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494134	1	45	0.0	-65.61	350.40	4.47	-61.14
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494135	1	46	0.0	-76.64	358.89	5.02	-71.62
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCC1	REAL300012494136	1	46	0.0	-74.42	360.53	4.11	-70.31
C=CCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494137	1	46	0.0	-70.68	372.71	3.84	-66.84
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494138	1	49	0.0	-77.34	375.23	5.86	-71.48
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494139	1	52	0.0	-78.51	382.35	6.84	-71.67
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CC1	REAL300012494140	1	46	0.0	-70.36	366.32	3.87	-66.49
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494141	1	45	0.0	-65.60	349.92	4.36	-61.24
CCCCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494142	1	51	0.0	-71.10	402.40	4.94	-66.16
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494143	1	55	0.0	-58.23	438.74	8.99	-49.24
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494144	1	49	0.0	-77.33	375.27	5.86	-71.47
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CCCC1	REAL300012494145	1	52	0.0	-56.42	393.64	6.78	-49.64
CCCCCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494147	1	54	0.0	-71.12	423.90	5.72	-65.40
CCC1CCC(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)(C(=O)[O-])CC1	REAL300012494148	1	58	0.0	-73.32	427.99	6.86	-66.46
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CCOCC1	REAL300012494149	1	53	0.0	-57.01	402.11	5.11	-51.90
CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1(C(=O)[O-])CCCC1	REAL300012494150	1	52	0.0	-77.73	384.85	6.21	-71.52
CC(C(=O)[O-])N(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CC1	REAL300012494151	1	49	0.0	-66.09	368.20	5.49	-60.60
CCC(C(=O)[O-])N(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CC1	REAL300012494152	1	52	0.0	-55.52	397.26	7.08	-48.44
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1=CC=CC=C1F	REAL300012494153	1	49	0.0	-75.62	399.74	5.61	-70.01
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494154	1	53	0.0	-56.91	410.48	7.89	-49.02
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494155	1	58	0.0	-69.84	439.46	6.66	-63.18
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494156	1	55	0.0	-56.54	424.39	8.85	-47.69
CC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C(=O)[O-])C=C1	REAL300012494157	1	52	0.0	-72.41	416.94	6.14	-66.27
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494158	1	45	0.0	-65.43	375.33	4.08	-61.35
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCSCC1	REAL300012494159	1	50	0.0	-70.11	386.60	5.30	-64.81
COCC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494160	1	49	0.0	-75.31	381.79	3.05	-72.26
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494161	1	52	0.0	-68.58	401.54	4.76	-63.82
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494162	1	51	0.0	-57.14	393.49	6.49	-50.65
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CC1	REAL300012494163	1	46	0.0	-69.84	362.27	5.60	-64.24
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494164	1	48	0.0	-57.41	396.96	6.35	-51.06
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCOC1	REAL300012494165	1	47	0.0	-70.51	365.05	1.89	-68.62
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CCCCC1	REAL300012494166	1	55	0.0	-71.77	413.15	5.60	-66.17
CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(COC1CCC1)C(=O)[O-]	REAL300012494167	1	56	0.0	-69.78	428.15	6.18	-63.60
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCOCC1	REAL300012494168	1	50	0.0	-74.35	380.31	3.11	-71.24
C=CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494169	1	49	0.0	-70.18	392.88	4.73	-65.45
O=C([O-])C(CF)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494170	1	42	0.0	-59.00	341.19	2.38	-56.62
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494171	1	55	0.0	-46.89	427.87	9.26	-37.63
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494172	1	45	0.0	-65.60	349.92	4.36	-61.24
CCC(CC)(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494173	1	51	0.0	-72.20	380.21	4.66	-67.54
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494174	1	51	0.0	-55.24	390.42	6.71	-48.53
CCC(COC)(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494175	1	52	0.0	-76.79	398.46	3.96	-72.83
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494176	1	55	0.0	-68.60	421.81	5.53	-63.07
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494177	1	49	0.0	-70.41	390.18	4.96	-65.45
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494179	1	54	0.0	-68.14	407.64	6.88	-61.26
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494180	1	45	0.0	-66.40	370.02	3.91	-62.49
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494181	1	55	0.0	-78.40	410.00	7.82	-70.58
CCCN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(C)C(=O)[O-]	REAL300012494182	1	51	0.0	-66.29	388.49	5.93	-60.36
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494183	1	55	0.0	-46.89	427.87	9.26	-37.63
CCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012494184	1	55	0.0	-72.43	420.33	7.14	-65.29
O=C([O-])C(CCF)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494185	1	45	0.0	-69.50	365.16	3.54	-65.96
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CCOCC1	REAL300012494187	1	53	0.0	-57.01	402.11	5.11	-51.90
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CCCCC1	REAL300012494188	1	55	0.0	-53.62	411.03	7.49	-46.13
C[C@H]1CC[C@@](NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)(C(=O)[O-])CC1	REAL300012494189	1	55	0.0	-73.57	402.73	5.98	-67.59
CC(CCF)(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494190	1	48	0.0	-67.98	370.13	3.91	-64.07
O=C([O-])C1C2=C(CCN1C(=O)NCC1=CC=[NH+]C(N3CCOCC3)=C1)OC=C2	REAL300012494191	1	50	0.0	-59.40	392.87	6.08	-53.32
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494192	1	46	0.0	-71.10	371.93	5.15	-65.95
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494193	1	45	0.0	-67.32	349.50	4.46	-62.86
CC1(C)CCCC(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)(C(=O)[O-])C1	REAL300012494194	1	58	0.0	-74.62	416.83	6.48	-68.14
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494195	1	47	0.0	-82.28	365.41	5.95	-76.33
COC1CN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C(C)(C(=O)[O-])C1	REAL300012494196	1	53	0.0	-75.77	408.56	4.83	-70.94
CC(C)(C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494198	1	51	0.0	-71.69	389.50	4.58	-67.11
C=C(Cl)CC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494199	1	46	0.0	-71.88	388.67	4.44	-67.44
C=C(C)CC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494200	1	49	0.0	-70.58	392.42	4.61	-65.97
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494201	1	50	0.0	-84.66	380.26	6.75	-77.91
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494202	1	46	0.0	-70.14	371.87	5.19	-64.95
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494203	1	46	0.0	-75.08	364.61	5.40	-69.68
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300012494204	1	47	0.0	-77.56	372.31	5.39	-72.17
CC(C)C[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494206	1	51	0.0	-71.18	397.83	4.76	-66.42
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1=CC=CC=C1	REAL300012494208	1	49	0.0	-71.76	394.94	5.49	-66.27
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494209	1	49	0.0	-70.41	390.18	4.96	-65.45
CC(C)CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494211	1	57	0.0	-71.15	441.47	6.22	-64.93
CSCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494213	1	46	0.0	-68.42	382.88	3.80	-64.62
CC[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494215	1	45	0.0	-71.18	359.40	3.39	-67.79
CCC(C)CC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494216	1	54	0.0	-71.55	416.33	5.35	-66.20
C=CCCCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494217	1	52	0.0	-70.66	415.21	5.50	-65.16
O=C([O-])C1CSCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494218	1	47	0.0	-77.33	369.28	6.43	-70.90
CC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012494219	1	52	0.0	-72.83	403.36	6.24	-66.59
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494220	1	46	0.0	-77.89	358.92	4.99	-72.90
CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494221	1	48	0.0	-70.55	380.07	4.17	-66.38
CC(C)[C@@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494222	1	48	0.0	-69.22	370.82	3.80	-65.42
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494223	1	50	0.0	-82.73	379.39	6.90	-75.83
CCN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(C)(C)C(=O)[O-]	REAL300012494224	1	51	0.0	-72.73	384.08	6.15	-66.58
CCCN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(C)C(=O)[O-]	REAL300012494225	1	51	0.0	-66.29	388.49	5.93	-60.36
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494226	1	45	0.0	-65.33	371.95	5.71	-59.62
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494227	1	45	0.0	-65.33	371.95	5.71	-59.62
CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(C)(C)C(=O)[O-]	REAL300012494228	1	48	0.0	-72.81	364.63	5.28	-67.53
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494229	1	46	0.0	-76.64	358.89	5.02	-71.62
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494230	1	47	0.0	-77.93	370.20	1.61	-76.32
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494231	1	53	0.0	-49.42	411.59	8.39	-41.03
CCC[C@@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494232	1	48	0.0	-69.55	380.87	4.15	-65.40
O=C([O-])[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1=CC=CC=C1	REAL300012494233	1	49	0.0	-70.58	395.34	5.55	-65.03
C=CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494235	1	49	0.0	-70.18	392.88	4.73	-65.45
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494237	1	49	0.0	-86.77	388.66	2.87	-83.90
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494239	1	49	0.0	-77.46	375.26	5.86	-71.60
CC(C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494240	1	48	0.0	-71.73	376.44	3.96	-67.77
O=C([O-])[C@@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1=CC=CC=C1	REAL300012494241	1	49	0.0	-72.37	395.53	5.46	-66.91
CC(CN1C=CC=N1)(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494242	1	52	0.0	-71.81	409.37	4.83	-66.98
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494243	1	45	0.0	-67.32	349.50	4.46	-62.86
CCC[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494244	1	48	0.0	-70.73	380.63	4.22	-66.51
CCN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(C)C(=O)[O-]	REAL300012494245	1	48	0.0	-66.04	366.60	5.14	-60.90
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CCCC1	REAL300012494246	1	52	0.0	-56.42	393.64	6.78	-49.64
CC(CN(C)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494247	1	48	0.0	-71.50	370.63	4.90	-66.60
CC[C@H](C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494248	1	51	0.0	-70.97	388.99	4.33	-66.64
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494249	1	48	0.0	-67.90	369.79	5.55	-62.35
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC(CO)C1	REAL300012494250	1	50	0.0	-80.67	391.04	1.29	-79.38
CC1CCC(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)(C(=O)[O-])C1	REAL300012494252	1	52	0.0	-73.65	395.45	5.13	-68.52
CC1(C)CCCC1(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494253	1	55	0.0	-73.76	404.94	5.86	-67.90
CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012494255	1	55	0.0	-68.90	426.91	8.44	-60.46
CC1(C)CC(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)(C(=O)[O-])C1	REAL300012494256	1	52	0.0	-75.14	396.93	5.82	-69.32
CC1(C(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C(=O)[O-])CC1	REAL300012494257	1	49	0.0	-71.10	380.83	4.73	-66.37
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494259	1	47	0.0	-81.79	368.84	1.79	-80.00
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494261	1	50	0.0	-81.57	379.85	6.45	-75.12
O=C([O-])C12COC(CN1C(=O)NCC1=CC=[NH+]C(N3CCOCC3)=C1)C2	REAL300012494262	1	48	0.0	-77.84	372.76	4.13	-73.71
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300012494263	1	52	0.0	-80.11	390.41	7.18	-72.93
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494264	1	55	0.0	-70.58	434.56	6.83	-63.75
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494265	1	56	0.0	-69.63	427.62	7.20	-62.43
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CCC1	REAL300012494266	1	49	0.0	-69.86	379.07	4.35	-65.51
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CCCCC1	REAL300012494267	1	55	0.0	-71.77	413.15	5.60	-66.17
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CCC1	REAL300012494268	1	49	0.0	-69.86	379.07	4.35	-65.51
CC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1C(=O)[O-]	REAL300012494269	1	49	0.0	-78.74	379.42	5.61	-73.13
C=CCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494270	1	46	0.0	-70.68	372.71	3.84	-66.84
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494272	1	56	0.0	-51.27	405.19	7.12	-44.15
CC1(C)CC(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)(C(=O)[O-])CCO1	REAL300012494273	1	56	0.0	-73.72	409.42	4.41	-69.31
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494274	1	50	0.0	-50.06	381.01	6.34	-43.72
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494275	1	56	0.0	-69.63	427.62	7.20	-62.43
COC1CC(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)(C(=O)[O-])C1	REAL300012494276	1	50	0.0	-71.76	392.11	2.97	-68.79
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC(F)(F)C1	REAL300012494277	1	46	0.0	-72.87	368.96	4.13	-68.74
CO[C@H]1C[C@](NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)(C(=O)[O-])C1	REAL300012494278	1	50	0.0	-70.53	391.99	2.98	-67.55
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494279	1	52	0.0	-78.19	388.55	7.08	-71.11
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494280	1	45	0.0	-65.43	375.33	4.08	-61.35
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)COC1	REAL300012494282	1	44	0.0	-68.47	351.35	1.15	-67.32
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494283	1	49	0.0	-71.92	408.88	5.46	-66.46
CC(C)C(C)(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494284	1	51	0.0	-71.93	380.27	4.46	-67.47
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494285	1	47	0.0	-81.67	365.44	6.51	-75.16
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494286	1	50	0.0	-77.58	381.41	6.06	-71.52
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494287	1	55	0.0	-46.89	427.87	9.26	-37.63
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494288	1	58	0.0	-69.84	439.46	6.66	-63.18
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494289	1	55	0.0	-71.69	439.98	7.19	-64.50
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494290	1	55	0.0	-70.70	440.78	7.18	-63.52
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CC2CCC1C2	REAL300012494291	1	56	0.0	-71.88	422.08	6.22	-65.66
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494292	1	58	0.0	-69.83	439.53	6.67	-63.16
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494293	1	58	0.0	-71.98	439.71	6.60	-65.38
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494294	1	56	0.0	-49.44	419.92	7.27	-42.17
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494295	1	56	0.0	-79.83	417.91	7.21	-72.62
C=CCSCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494296	1	50	0.0	-67.77	416.48	5.29	-62.48
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494297	1	51	0.0	-68.88	384.44	6.28	-62.60
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC(C(F)F)C1	REAL300012494299	1	49	0.0	-71.24	394.46	5.00	-66.24
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494301	1	46	0.0	-75.08	364.61	5.40	-69.68
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494302	1	48	0.0	-53.37	374.25	6.12	-47.25
CC1(C)CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1C(=O)[O-]	REAL300012494303	1	52	0.0	-78.24	390.45	6.26	-71.98
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494304	1	56	0.0	-80.04	414.79	8.16	-71.88
CC(C)CCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494305	1	54	0.0	-70.69	419.14	5.47	-65.22
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494306	1	53	0.0	-49.65	405.04	6.80	-42.85
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300012494308	1	50	0.0	-75.33	401.30	6.47	-68.86
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCCC2CC21	REAL300012494309	1	53	0.0	-73.03	397.45	5.98	-67.05
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCC2CC21	REAL300012494310	1	50	0.0	-76.72	381.90	5.34	-71.38
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC2(CCC2)C1	REAL300012494311	1	53	0.0	-73.40	403.19	5.74	-67.66
CN(C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012494312	1	55	0.0	-68.85	426.37	8.34	-60.51
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CCCC1	REAL300012494313	1	52	0.0	-70.21	395.56	4.98	-65.23
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494315	1	49	0.0	-73.78	373.57	4.64	-69.14
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494316	1	52	0.0	-57.12	416.33	8.22	-48.90
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300012494317	1	52	0.0	-49.72	397.98	6.10	-43.62
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494318	1	49	0.0	-77.16	380.33	6.42	-70.74
O=C([O-])C1N(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCC1(F)F	REAL300012494319	1	46	0.0	-77.25	367.99	5.49	-71.76
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494320	1	49	0.0	-71.91	408.65	5.31	-66.60
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494321	1	49	0.0	-70.13	387.35	5.97	-64.16
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494322	1	49	0.0	-71.91	408.65	5.31	-66.60
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494323	1	53	0.0	-78.48	396.87	6.40	-72.08
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494325	1	51	0.0	-68.46	391.32	6.16	-62.30
CC(C)(C)CC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494327	1	54	0.0	-70.19	410.24	5.78	-64.41
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC2=CC=CC=C2C1	REAL300012494329	1	53	0.0	-72.46	413.49	6.64	-65.82
C[C@H]1OCCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)[C@@H]1C(=O)[O-]	REAL300012494330	1	50	0.0	-79.36	380.86	4.89	-74.47
N#CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300012494331	1	46	0.0	-72.11	379.42	3.90	-68.21
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494332	1	49	0.0	-58.11	398.00	6.36	-51.75
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300012494333	1	45	0.0	-65.61	350.40	4.47	-61.14
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300012494334	1	53	0.0	-73.95	412.51	5.35	-68.60
CCN(CC)C1=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=[NH+]1	REAL300012494335	1	52	0.0	-66.30	408.98	8.22	-58.08
C=CCOCC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494336	1	51	0.0	-64.74	416.41	6.70	-58.04
C=CC(C)C(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494337	1	50	0.0	-64.26	400.29	8.09	-56.17
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300012494338	1	54	0.0	-67.16	420.31	6.98	-60.18
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=[NH+]1	REAL300012494339	1	50	0.0	-61.44	419.17	9.12	-52.32
CCN(CC)C1=CC=C(CNC(=O)N2CCC(OC)CC2C(=O)[O-])C=[NH+]1	REAL300012494340	1	54	0.0	-75.57	410.75	8.97	-66.60
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)C=[NH+]1	REAL300012494341	1	54	0.0	-64.16	414.17	6.82	-57.34
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C)CC2C(=O)[O-])C=[NH+]1	REAL300012494342	1	53	0.0	-74.38	394.04	10.26	-64.12
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=[NH+]1	REAL300012494343	1	53	0.0	-61.87	432.92	9.78	-52.09
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C=[NH+]1	REAL300012494344	1	55	0.0	-66.55	441.75	8.87	-57.68
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=[NH+]1	REAL300012494345	1	56	0.0	-65.85	448.99	10.40	-55.45
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=[NH+]1	REAL300012494346	1	56	0.0	-66.27	444.89	10.20	-56.07
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C=[NH+]1	REAL300012494347	1	56	0.0	-64.67	435.49	10.01	-54.66
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1	REAL300012494348	1	49	0.0	-51.77	389.71	9.50	-42.27
CCN(CC)C1=CC=C(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)C=[NH+]1	REAL300012494349	1	53	0.0	-41.53	398.13	10.58	-30.95
CCCN(C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(COC)C(=O)[O-]	REAL300012494350	1	56	0.0	-69.42	431.53	10.44	-58.98
CCCN(C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(CC)C(=O)[O-]	REAL300012494351	1	55	0.0	-53.13	415.28	10.35	-42.78
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C=[NH+]1	REAL300012494352	1	49	0.0	-65.17	385.40	7.53	-57.64
CCN(CC)C1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=[NH+]1	REAL300012494353	1	50	0.0	-74.57	380.58	10.08	-64.49
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=[NH+]1	REAL300012494354	1	50	0.0	-62.07	423.14	9.52	-52.55
CCN(CC)C1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=[NH+]1	REAL300012494355	1	48	0.0	-71.82	379.93	9.85	-61.97
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=[NH+]1	REAL300012494356	1	53	0.0	-69.85	399.80	9.14	-60.71
CCN(CC)C1=CC=C(CNC(=O)N2CCCC2C(=O)[O-])C=[NH+]1	REAL300012494357	1	47	0.0	-70.05	369.02	8.84	-61.21
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300012494358	1	50	0.0	-68.08	384.75	8.00	-60.08
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)C=[NH+]1	REAL300012494359	1	56	0.0	-70.75	405.43	9.80	-60.95
CCN(CC)C1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012494360	1	53	0.0	-65.39	428.47	10.00	-55.39
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=[NH+]1	REAL300012494361	1	53	0.0	-48.65	427.21	11.75	-36.90
CCN(CC)C1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012494362	1	50	0.0	-66.60	406.21	9.08	-57.52
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012494363	1	50	0.0	-65.00	406.22	9.08	-55.92
CCC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494364	1	46	0.0	-66.00	370.28	6.93	-59.07
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C=[NH+]1	REAL300012494365	1	49	0.0	-65.17	385.40	7.53	-57.64
CCN(CC)C1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012494366	1	53	0.0	-65.39	428.47	10.00	-55.39
CCC(C)C(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494367	1	52	0.0	-65.08	405.26	8.13	-56.95
CCN(CC)C1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=[NH+]1	REAL300012494368	1	50	0.0	-74.57	380.58	10.08	-64.49
CCCC(C)(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494369	1	52	0.0	-65.89	395.92	8.05	-57.84
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C=[NH+]1	REAL300012494370	1	49	0.0	-49.54	378.34	9.02	-40.52
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=[NH+]1	REAL300012494371	1	47	0.0	-64.25	373.15	9.13	-55.12
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1	REAL300012494372	1	47	0.0	-51.59	381.02	9.31	-42.28
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C=[NH+]1	REAL300012494373	1	52	0.0	-51.72	404.36	10.02	-41.70
CCN(CC)C1=CC=C(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=[NH+]1	REAL300012494374	1	54	0.0	-75.60	418.53	12.12	-63.48
CCN(CC)C1=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=[NH+]1	REAL300012494375	1	46	0.0	-54.51	361.03	6.30	-48.21
CCN(CC)C1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C=[NH+]1	REAL300012494376	1	50	0.0	-67.40	383.91	8.04	-59.36
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C=[NH+]1	REAL300012494377	1	47	0.0	-63.57	398.04	8.08	-55.49
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=[NH+]1	REAL300012494378	1	53	0.0	-69.85	399.80	9.14	-60.71
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C=[NH+]1	REAL300012494379	1	49	0.0	-49.54	378.34	9.02	-40.52
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1	REAL300012494380	1	49	0.0	-51.77	389.71	9.50	-42.27
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1	REAL300012494381	1	46	0.0	-63.58	368.21	8.74	-54.84
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494382	1	52	0.0	-66.94	401.52	7.89	-59.05
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300012494383	1	50	0.0	-68.08	384.75	8.00	-60.08
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=[NH+]1	REAL300012494384	1	53	0.0	-49.60	433.62	11.82	-37.78
CCN(CC)C1=CC=C(CNC(=O)NC(C)(CC)C(=O)[O-])C=[NH+]1	REAL300012494385	1	49	0.0	-65.62	374.42	7.29	-58.33
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=[NH+]1	REAL300012494386	1	54	0.0	-68.34	424.40	10.18	-58.16
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=[NH+]1	REAL300012494387	1	50	0.0	-66.33	417.06	9.21	-57.12
CCN(CC)C1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012494388	1	53	0.0	-65.85	414.25	9.78	-56.07
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1	REAL300012494389	1	46	0.0	-63.58	368.21	8.74	-54.84
CCCCCCC(C)(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494390	1	61	0.0	-66.01	460.41	10.38	-55.63
CCN(CC)C1=CC=C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012494391	1	56	0.0	-63.47	437.79	11.98	-51.49
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC2)C=[NH+]1	REAL300012494392	1	44	0.0	-71.02	354.61	7.13	-63.89
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=[NH+]1	REAL300012494393	1	50	0.0	-62.07	423.14	9.52	-52.55
CCN(CC)C1=CC=C(CNC(=O)N2CCOCC2C(=O)[O-])C=[NH+]1	REAL300012494394	1	48	0.0	-71.98	371.51	7.55	-64.43
CCN(CC)C1=CC=C(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C=[NH+]1	REAL300012494395	1	56	0.0	-71.67	409.04	10.45	-61.22
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=[NH+]1	REAL300012494396	1	47	0.0	-65.38	376.65	7.42	-57.96
CCN(CC)C1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=[NH+]1	REAL300012494397	1	56	0.0	-52.77	449.62	12.53	-40.24
CCN(CC)C1=CC=C(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012494398	1	53	0.0	-62.71	413.86	10.56	-52.15
CCN(CC)C1=CC=C(CNC(=O)N(CCOC)CC(=O)[O-])C=[NH+]1	REAL300012494399	1	50	0.0	-52.24	399.58	7.93	-44.31
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C=[NH+]1	REAL300012494400	1	54	0.0	-69.94	421.16	10.11	-59.83
CCN(CC)C1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012494401	1	47	0.0	-70.45	369.82	8.52	-61.93
CCN(CC)C1=CC=C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012494402	1	50	0.0	-73.29	380.05	9.85	-63.44
CCN(CC)C1=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C=[NH+]1	REAL300012494403	1	46	0.0	-60.12	361.30	8.00	-52.12
CCN(CC)C1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=[NH+]1	REAL300012494404	1	47	0.0	-72.02	369.03	8.84	-63.18
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC2)C=[NH+]1	REAL300012494405	1	47	0.0	-70.62	371.44	7.64	-62.98
C=CCC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494406	1	47	0.0	-63.55	383.59	7.37	-56.18
CCN(CC)C1=CC=C(CNC(=O)N2CCCC2(C)C(=O)[O-])C=[NH+]1	REAL300012494407	1	50	0.0	-69.85	386.11	9.39	-60.46
CCN(CC)C1=CC=C(CNC(=O)N2CCCCCC2C(=O)[O-])C=[NH+]1	REAL300012494408	1	53	0.0	-71.54	393.37	10.40	-61.14
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=[NH+]1	REAL300012494409	1	47	0.0	-65.38	376.65	7.42	-57.96
CCN(CC)C1=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C=[NH+]1	REAL300012494410	1	46	0.0	-60.54	360.38	8.00	-52.54
CCCCC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494411	1	52	0.0	-65.46	413.03	8.53	-56.93
CCN(CC)C1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=[NH+]1	REAL300012494412	1	56	0.0	-52.77	449.62	12.53	-40.24
CCN(CC)C1=CC=C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C=[NH+]1	REAL300012494413	1	50	0.0	-69.91	386.19	9.37	-60.54
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=[NH+]1	REAL300012494414	1	53	0.0	-50.98	404.54	10.32	-40.66
CCN(CC)C1=CC=C(CNC(=O)NC(COC)C(=O)[O-])C=[NH+]1	REAL300012494415	1	47	0.0	-65.41	382.14	5.16	-60.25
CCCCCC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494416	1	55	0.0	-65.89	434.77	9.26	-56.63
CCC1CCC(NC(=O)NCC2=CC=C(N(CC)CC)[NH+]=C2)(C(=O)[O-])CC1	REAL300012494417	1	59	0.0	-67.60	438.86	10.39	-57.21
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300012494418	1	54	0.0	-51.61	413.00	8.65	-42.96
CCN(CC)C1=CC=C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300012494419	1	53	0.0	-72.45	395.74	9.75	-62.70
CCN(CC)C1=CC=C(CNC(=O)N(C(C)C(=O)[O-])C2CC2)C=[NH+]1	REAL300012494420	1	50	0.0	-60.67	379.08	9.03	-51.64
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C1CC1	REAL300012494421	1	53	0.0	-53.92	407.14	10.46	-43.46
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C=[NH+]1	REAL300012494422	1	50	0.0	-67.21	418.34	9.42	-57.79
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C=[NH+]1	REAL300012494423	1	50	0.0	-71.25	410.86	9.09	-62.16
CCN(CC)C1=CC=C(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=[NH+]1	REAL300012494424	1	54	0.0	-53.78	421.36	11.42	-42.36
CCN(CC)C1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300012494425	1	59	0.0	-64.85	450.61	10.12	-54.73
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)C=[NH+]1	REAL300012494426	1	56	0.0	-49.93	439.40	12.37	-37.56
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C=[NH+]1	REAL300012494427	1	53	0.0	-65.55	427.85	9.68	-55.87
CCN(CC)C1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=[NH+]1	REAL300012494428	1	46	0.0	-58.74	386.21	7.61	-51.13
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCSCC2)C=[NH+]1	REAL300012494429	1	51	0.0	-64.03	397.47	8.83	-55.20
CCN(CC)C1=CC=C(CNC(=O)NC(C)(COC)C(=O)[O-])C=[NH+]1	REAL300012494430	1	50	0.0	-70.02	392.66	6.58	-63.44
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1	REAL300012494431	1	53	0.0	-61.85	412.42	8.29	-53.56
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C=[NH+]1	REAL300012494432	1	52	0.0	-51.72	404.36	10.02	-41.70
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1	REAL300012494433	1	59	0.0	-49.32	455.28	13.09	-36.23
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=[NH+]1	REAL300012494434	1	47	0.0	-64.25	373.15	9.13	-55.12
CCN(CC)C1=CC=C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C=[NH+]1	REAL300012494435	1	49	0.0	-52.06	407.84	9.88	-42.18
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC2)C=[NH+]1	REAL300012494436	1	48	0.0	-65.28	375.93	5.43	-59.85
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C=[NH+]1	REAL300012494437	1	56	0.0	-67.32	423.36	9.21	-58.11
CCN(CC)C1=CC=C(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C=[NH+]1	REAL300012494438	1	57	0.0	-64.56	439.03	9.71	-54.85
CCN(CC)C1=CC=C(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C=[NH+]1	REAL300012494439	1	57	0.0	-73.65	444.37	13.10	-60.55
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOCC2)C=[NH+]1	REAL300012494440	1	51	0.0	-67.05	391.22	6.64	-60.41
C=CCCC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494441	1	50	0.0	-65.29	404.35	8.31	-56.98
CCN(CC)C1=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=[NH+]1	REAL300012494442	1	43	0.0	-53.38	352.07	5.92	-47.46
CCN(CC)C1=CC=C(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C=[NH+]1	REAL300012494443	1	56	0.0	-40.74	436.10	12.84	-27.90
CCN(CC)C1=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C=[NH+]1	REAL300012494444	1	46	0.0	-60.54	360.38	8.00	-52.54
CCN(CC)C1=CC=C(CNC(=O)NC(CC)(CC)C(=O)[O-])C=[NH+]1	REAL300012494445	1	52	0.0	-66.94	390.81	8.19	-58.75
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)C=[NH+]1	REAL300012494446	1	54	0.0	-64.69	435.31	8.32	-56.37
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1	REAL300012494447	1	52	0.0	-47.92	398.93	10.08	-37.84
CCN(CC)C1=CC=C(CNC(=O)NC(CC)(COC)C(=O)[O-])C=[NH+]1	REAL300012494448	1	53	0.0	-69.39	409.33	7.48	-61.91
CCN(CC)C1=CC=C(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])C=[NH+]1	REAL300012494449	1	56	0.0	-62.34	432.69	9.06	-53.28
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C=[NH+]1	REAL300012494450	1	53	0.0	-69.17	416.34	5.13	-64.04
CCN(CC)C1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=[NH+]1	REAL300012494451	1	50	0.0	-65.55	402.16	8.42	-57.13
CCN(CC)C1=CC=C(CNC(=O)NC(CCOC)C(=O)[O-])C=[NH+]1	REAL300012494452	1	50	0.0	-66.21	403.95	5.99	-60.22
CCN(CC)C1=CC=C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])C=[NH+]1	REAL300012494453	1	55	0.0	-62.28	419.10	10.31	-51.97
CCN(CC)C1=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=[NH+]1	REAL300012494454	1	46	0.0	-65.60	382.63	7.22	-58.38
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1	REAL300012494455	1	56	0.0	-72.89	421.34	11.03	-61.86
CCCN(C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(C)C(=O)[O-]	REAL300012494456	1	52	0.0	-41.42	400.56	10.37	-31.05
CCN(CC)C1=CC=C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C=[NH+]1	REAL300012494457	1	56	0.0	-45.28	438.83	12.63	-32.65
CCN(CC)C1=CC=C(CNC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012494458	1	56	0.0	-68.44	431.21	10.67	-57.77
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)C=[NH+]1	REAL300012494459	1	60	0.0	-71.99	456.47	8.13	-63.86
CCN(CC)C1=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=[NH+]1	REAL300012494460	1	46	0.0	-64.84	376.87	7.07	-57.77
CCN(CC)C1=CC=C(CNC(=O)NC(CC2(OC)CCC2)C(=O)[O-])C=[NH+]1	REAL300012494461	1	57	0.0	-68.07	442.02	7.95	-60.12
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300012494462	1	54	0.0	-51.61	413.00	8.65	-42.96
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)C=[NH+]1	REAL300012494463	1	56	0.0	-51.33	421.97	11.02	-40.31
CCN(CC)C1=CC=C(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C=[NH+]1	REAL300012494464	1	56	0.0	-67.93	413.59	9.52	-58.41
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)C=[NH+]1	REAL300012494465	1	54	0.0	-67.51	435.73	8.37	-59.14
CCN(CC)C1=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=[NH+]1	REAL300012494466	1	49	0.0	-62.69	381.01	7.43	-55.26
CCN(CC)C1=CC=C(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=[NH+]1	REAL300012494467	1	51	0.0	-51.99	404.10	9.62	-42.37
CCN(CC)C1=CC=C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012494468	1	47	0.0	-64.95	384.11	8.58	-56.37
CCN(CC)C1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=[NH+]1	REAL300012494469	1	54	0.0	-67.52	435.69	8.37	-59.15
CCN(CC)C1=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C=[NH+]1	REAL300012494470	1	46	0.0	-60.54	360.37	8.00	-52.54
CCN(CC)C1=CC=C(CNC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])C=[NH+]1	REAL300012494471	1	56	0.0	-73.72	435.26	10.75	-62.97
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=[NH+]1	REAL300012494472	1	59	0.0	-68.93	427.71	10.01	-58.92
CCN(CC)C1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C=[NH+]1	REAL300012494473	1	48	0.0	-76.86	376.34	9.47	-67.39
CCN(CC)C1=CC=C(CNC(=O)N2CC(OC)CC2(C)C(=O)[O-])C=[NH+]1	REAL300012494474	1	54	0.0	-67.25	418.95	8.42	-58.83
CCN(CC)C1=CC=C(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C=[NH+]1	REAL300012494475	1	57	0.0	-63.46	437.44	8.43	-55.03
CCN(CC)C1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=[NH+]1	REAL300012494476	1	52	0.0	-65.76	399.45	8.05	-57.71
C=C(Cl)CC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494477	1	47	0.0	-64.12	398.72	8.00	-56.12
C=C(C)CC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494478	1	50	0.0	-64.08	404.13	8.11	-55.97
CCN(CC)C1=CC=C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C=[NH+]1	REAL300012494479	1	51	0.0	-76.99	388.84	10.31	-66.68
CCN(CC)C1=CC=C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300012494480	1	47	0.0	-65.33	382.03	9.01	-56.32
CCN(CC)C1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300012494481	1	47	0.0	-68.07	376.25	8.64	-59.43
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N(CC)CC)[NH+]=C2)C1	REAL300012494482	1	48	0.0	-71.21	384.65	8.86	-62.35
CCN(CC)C1=CC=C(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C=[NH+]1	REAL300012494483	1	57	0.0	-65.68	441.74	7.74	-57.94
CCN(CC)C1=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=[NH+]1	REAL300012494484	1	52	0.0	-66.30	408.98	8.22	-58.08
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300012494485	1	54	0.0	-67.16	420.31	6.98	-60.18
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012494486	1	50	0.0	-65.00	406.22	9.08	-55.92
CCN(CC)C1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=[NH+]1	REAL300012494487	1	50	0.0	-65.55	402.16	8.42	-57.13
CCN(CC)C1=CC=C(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C=[NH+]1	REAL300012494488	1	49	0.0	-62.09	414.41	7.12	-54.97
CCN(CC)C1=CC=C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])C=[NH+]1	REAL300012494489	1	58	0.0	-65.93	452.34	9.77	-56.16
CCN(CC)C1=CC=C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])C=[NH+]1	REAL300012494490	1	54	0.0	-70.23	426.47	7.29	-62.94
CCN(CC)C1=CC=C(CNC(=O)NC(CSC)C(=O)[O-])C=[NH+]1	REAL300012494491	1	47	0.0	-60.76	393.07	7.37	-53.39
CCN(CC)C1=CC=C(CNC(=O)N[C@@H](COC)C(=O)[O-])C=[NH+]1	REAL300012494492	1	47	0.0	-66.88	381.65	5.15	-61.73
CC[C@H](NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494493	1	46	0.0	-65.96	370.27	6.92	-59.04
CCN(CC)C1=CC=C(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C=[NH+]1	REAL300012494494	1	53	0.0	-63.42	434.87	10.07	-53.35
CCC(C)CC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494495	1	55	0.0	-66.25	427.09	8.94	-57.31
C=CCCCC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494496	1	53	0.0	-65.96	426.09	9.04	-56.92
CCN(CC)C1=CC=C(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C=[NH+]1	REAL300012494497	1	53	0.0	-65.51	435.06	10.00	-55.51
CCN(CC)C1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=[NH+]1	REAL300012494498	1	48	0.0	-71.82	379.93	9.85	-61.97
CCN(CC)C1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012494499	1	53	0.0	-65.85	414.25	9.78	-56.07
CCN(CC)C1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012494500	1	47	0.0	-70.45	369.82	8.52	-61.93
CCCC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494501	1	49	0.0	-66.00	391.78	7.70	-58.30
CCN(CC)C1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C=[NH+]1	REAL300012494502	1	49	0.0	-64.44	382.39	7.25	-57.19
CCN(CC)C1=CC=C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=[NH+]1	REAL300012494503	1	51	0.0	-77.10	390.36	10.41	-66.69
CCN(CC)C1=CC=C(CNC(=O)N(CC)C(C)(C)C(=O)[O-])C=[NH+]1	REAL300012494504	1	52	0.0	-69.04	394.95	9.68	-59.36
CCCN(C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(C)C(=O)[O-]	REAL300012494505	1	52	0.0	-41.42	400.56	10.37	-31.05
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=[NH+]1	REAL300012494506	1	46	0.0	-59.76	382.83	9.25	-50.51
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=[NH+]1	REAL300012494507	1	46	0.0	-59.76	382.83	9.25	-50.51
CCN(CC)C1=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=[NH+]1	REAL300012494508	1	49	0.0	-69.00	375.52	8.81	-60.19
CCN(CC)C1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=[NH+]1	REAL300012494509	1	47	0.0	-72.02	369.03	8.84	-63.18
CCN(CC)C1=CC=C(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C=[NH+]1	REAL300012494510	1	59	0.0	-49.36	456.55	7.22	-42.14
CCN(CC)C1=CC=C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012494511	1	48	0.0	-74.55	381.04	5.16	-69.39
CCN(CC)C1=CC=C(CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])C=[NH+]1	REAL300012494512	1	54	0.0	-49.87	423.33	11.71	-38.16
CCN(CC)C1=CC=C(CNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012494513	1	57	0.0	-56.77	432.95	11.99	-44.78
CCC[C@@H](NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494514	1	49	0.0	-65.91	391.78	7.70	-58.21
CCN(CC)C1=CC=C(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C=[NH+]1	REAL300012494515	1	55	0.0	-61.95	425.91	10.12	-51.83
CCN(CC)C1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012494516	1	50	0.0	-66.60	406.21	9.08	-57.52
CCN(CC)C1=CC=C(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C=[NH+]1	REAL300012494517	1	55	0.0	-67.46	445.73	8.96	-58.50
C=CCCC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494518	1	50	0.0	-65.29	404.35	8.31	-56.98
CCN(CC)C1=CC=C(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C=[NH+]1	REAL300012494519	1	49	0.0	-67.33	415.23	6.94	-60.39
CCN(CC)C1=CC=C(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C=[NH+]1	REAL300012494520	1	50	0.0	-81.44	399.53	6.39	-75.05
CCN(CC)C1=CC=C(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C=[NH+]1	REAL300012494521	1	51	0.0	-65.56	396.81	8.08	-57.48
CCN(CC)C1=CC=C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C=[NH+]1	REAL300012494522	1	50	0.0	-69.88	386.14	9.39	-60.49
CCN(CC)C1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C=[NH+]1	REAL300012494523	1	49	0.0	-66.33	382.97	7.25	-59.08
CCN(CC)C1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012494524	1	50	0.0	-66.38	405.80	9.02	-57.36
CCN(CC)C1=CC=C(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=[NH+]1	REAL300012494525	1	53	0.0	-68.94	415.88	8.33	-60.61
CCN(CC)C1=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C=[NH+]1	REAL300012494526	1	46	0.0	-60.54	360.37	8.00	-52.54
CCC[C@H](NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494527	1	49	0.0	-65.96	391.77	7.69	-58.27
CCN(CC)C1=CC=C(CNC(=O)N(CC)C(C)C(=O)[O-])C=[NH+]1	REAL300012494528	1	49	0.0	-61.53	379.25	8.86	-52.67
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=[NH+]1	REAL300012494529	1	53	0.0	-50.98	404.54	10.32	-40.66
CCN(CC)C1=CC=C(CNC(=O)N(C)CC(C)C(=O)[O-])C=[NH+]1	REAL300012494530	1	49	0.0	-70.30	382.56	8.69	-61.61
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494531	1	52	0.0	-66.94	401.52	7.89	-59.05
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1	REAL300012494532	1	49	0.0	-63.18	380.70	8.92	-54.26
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C=[NH+]1	REAL300012494533	1	51	0.0	-68.94	403.68	4.92	-64.02
CCN(CC)C1=CC=C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C=[NH+]1	REAL300012494534	1	59	0.0	-66.41	454.28	8.20	-58.21
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)C=[NH+]1	REAL300012494535	1	53	0.0	-69.89	406.35	8.66	-61.23
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C=[NH+]1	REAL300012494536	1	56	0.0	-70.09	415.82	9.39	-60.70
CCN(CC)C1=CC=C(CNC(=O)NC(CCOC)C(=O)[O-])C=[NH+]1	REAL300012494537	1	50	0.0	-66.21	403.95	5.99	-60.22
CCN(CC)C1=CC=C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012494538	1	56	0.0	-63.47	437.79	11.98	-51.49
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=[NH+]1	REAL300012494539	1	53	0.0	-69.41	407.84	9.35	-60.06
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C=[NH+]1	REAL300012494540	1	50	0.0	-66.49	393.89	8.29	-58.20
CCN(CC)C1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C=[NH+]1	REAL300012494541	1	59	0.0	-65.26	454.06	8.20	-57.06
CCN(CC)C1=CC=C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012494542	1	48	0.0	-78.32	379.73	5.32	-73.00
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOC2)C=[NH+]1	REAL300012494543	1	51	0.0	-64.54	397.45	5.93	-58.61
CCN(CC)C1=CC=C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=[NH+]1	REAL300012494544	1	51	0.0	-74.46	390.98	9.97	-64.49
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C=[NH+]1	REAL300012494545	1	54	0.0	-71.79	437.96	9.07	-62.72
CCN(CC)C1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C=[NH+]1	REAL300012494546	1	49	0.0	-72.76	383.67	7.67	-65.09
CCN(CC)C1=CC=C(CNC(=O)N2CC(C)CCC2C(=O)[O-])C=[NH+]1	REAL300012494547	1	53	0.0	-74.74	401.39	10.73	-64.01
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C=[NH+]1	REAL300012494548	1	56	0.0	-63.98	443.80	10.29	-53.69
CCN(CC)C1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=[NH+]1	REAL300012494549	1	57	0.0	-64.56	442.99	10.06	-54.50
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=[NH+]1	REAL300012494550	1	50	0.0	-66.27	389.95	7.88	-58.39
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C=[NH+]1	REAL300012494551	1	56	0.0	-67.32	423.36	9.21	-58.11
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=[NH+]1	REAL300012494552	1	50	0.0	-66.27	389.95	7.88	-58.39
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C)C2C(=O)[O-])C=[NH+]1	REAL300012494553	1	50	0.0	-70.96	385.21	9.00	-61.96
C=CCC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494554	1	47	0.0	-63.55	383.59	7.37	-56.18
CCN(CC)C1=CC=C(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C=[NH+]1	REAL300012494555	1	57	0.0	-65.24	442.27	8.72	-56.52
CCN(CC)C1=CC=C(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=[NH+]1	REAL300012494556	1	57	0.0	-45.32	416.56	10.61	-34.71
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C=[NH+]1	REAL300012494557	1	57	0.0	-70.24	420.31	7.94	-62.30
CCN(CC)C1=CC=C(CNC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])C=[NH+]1	REAL300012494558	1	57	0.0	-53.76	438.78	11.98	-41.78
CCN(CC)C1=CC=C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=[NH+]1	REAL300012494559	1	51	0.0	-47.76	391.68	9.87	-37.89
CCN(CC)C1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=[NH+]1	REAL300012494560	1	57	0.0	-64.56	442.99	10.06	-54.50
CCN(CC)C1=CC=C(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=[NH+]1	REAL300012494561	1	53	0.0	-66.94	434.89	10.07	-56.87
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(OC)C2)C=[NH+]1	REAL300012494562	1	51	0.0	-73.09	404.77	6.59	-66.50
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=[NH+]1	REAL300012494563	1	47	0.0	-68.76	379.84	7.66	-61.10
CCN(CC)C1=CC=C(CNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)C=[NH+]1	REAL300012494564	1	51	0.0	-66.33	403.24	6.49	-59.84
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C=[NH+]1	REAL300012494565	1	50	0.0	-67.00	410.41	8.68	-58.32
CCN(CC)C1=CC=C(CNC(=O)N2CCCC2(CC)C(=O)[O-])C=[NH+]1	REAL300012494566	1	53	0.0	-72.91	401.94	10.53	-62.38
CCN(CC)C1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=[NH+]1	REAL300012494567	1	46	0.0	-58.74	386.21	7.61	-51.13
CCN(CC)C1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C=[NH+]1	REAL300012494568	1	54	0.0	-66.66	424.08	6.94	-59.72
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])COC2)C=[NH+]1	REAL300012494569	1	45	0.0	-62.81	362.23	4.68	-58.13
CCN(CC)C1=CC=C(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C=[NH+]1	REAL300012494570	1	50	0.0	-66.60	419.75	9.01	-57.59
CCN(CC)C1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C=[NH+]1	REAL300012494571	1	52	0.0	-66.37	389.35	7.92	-58.45
CCN(CC)C1=CC=C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012494572	1	48	0.0	-75.23	376.37	10.04	-65.19
CCN(CC)C1=CC=C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012494573	1	51	0.0	-74.47	392.48	9.40	-65.07
CCN(CC)C1=CC=C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C=[NH+]1	REAL300012494574	1	56	0.0	-45.28	438.83	12.63	-32.65
CCN(CC)C1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300012494575	1	59	0.0	-64.85	450.61	10.12	-54.73
CCN(CC)C1=CC=C(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012494576	1	56	0.0	-66.44	450.85	10.72	-55.72
CCN(CC)C1=CC=C(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012494577	1	56	0.0	-65.21	451.69	10.71	-54.50
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=[NH+]1	REAL300012494578	1	57	0.0	-65.79	432.05	9.78	-56.01
CCN(CC)C1=CC=C(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300012494579	1	59	0.0	-64.25	450.41	10.20	-54.05
CCN(CC)C1=CC=C(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300012494580	1	59	0.0	-64.78	450.61	10.12	-54.66
CCN(CC)C1=CC=C(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=[NH+]1	REAL300012494581	1	57	0.0	-47.39	430.81	10.81	-36.58
CCN(CC)C1=CC=C(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012494582	1	57	0.0	-72.36	426.54	10.60	-61.76
C=CCSCC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494583	1	51	0.0	-60.85	427.35	8.82	-52.03
CCN(CC)C1=CC=C(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C=[NH+]1	REAL300012494584	1	54	0.0	-66.09	448.65	10.34	-55.75
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1	REAL300012494585	1	52	0.0	-63.05	394.99	9.74	-53.31
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2(OC)CCC2)C=[NH+]1	REAL300012494586	1	54	0.0	-62.84	417.21	6.56	-56.28
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C=[NH+]1	REAL300012494587	1	56	0.0	-65.13	431.40	9.93	-55.20
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C=[NH+]1	REAL300012494588	1	57	0.0	-68.29	437.71	11.06	-57.23
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C=[NH+]1	REAL300012494589	1	50	0.0	-66.82	401.78	8.37	-58.45
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=[NH+]1	REAL300012494591	1	59	0.0	-66.64	466.65	10.92	-55.72
CCN(CC)C1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300012494592	1	47	0.0	-68.07	376.25	8.64	-59.43
CCN(CC)C1=CC=C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=[NH+]1	REAL300012494593	1	49	0.0	-44.49	384.58	9.60	-34.89
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C=[NH+]1	REAL300012494594	1	53	0.0	-71.93	405.18	9.49	-62.44
CCN(CC)C1=CC=C(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C=[NH+]1	REAL300012494595	1	57	0.0	-74.23	425.57	11.51	-62.72
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C=[NH+]1	REAL300012494596	1	57	0.0	-64.39	446.89	10.88	-53.51
CCN(CC)C1=CC=C(CNC(=O)NC(CCC(C)C)C(=O)[O-])C=[NH+]1	REAL300012494597	1	55	0.0	-65.69	430.60	9.05	-56.64
CCN(CC)C1=CC=C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=[NH+]1	REAL300012494598	1	54	0.0	-47.55	415.89	10.33	-37.22
CCN(CC)C1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C=[NH+]1	REAL300012494599	1	54	0.0	-66.66	424.08	6.94	-59.72
CCN(CC)C1=CC=C(CNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300012494600	1	51	0.0	-68.77	413.29	9.80	-58.97
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C=[NH+]1	REAL300012494601	1	54	0.0	-69.76	405.67	9.79	-59.97
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C=[NH+]1	REAL300012494602	1	51	0.0	-71.51	392.78	8.87	-62.64
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=[NH+]1	REAL300012494603	1	54	0.0	-67.59	414.02	9.26	-58.33
CCN(CC)C1=CC=C(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012494604	1	56	0.0	-63.45	437.28	11.87	-51.58
CCN(CC)C1=CC=C(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C=[NH+]1	REAL300012494605	1	60	0.0	-47.56	445.07	11.29	-36.27
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCC2)C=[NH+]1	REAL300012494606	1	53	0.0	-67.58	413.71	8.64	-58.94
CCN(CC)C1=CC=C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=[NH+]1	REAL300012494607	1	50	0.0	-66.65	399.79	6.16	-60.49
CCN(CC)C1=CC=C(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=[NH+]1	REAL300012494608	1	50	0.0	-72.42	393.30	8.66	-63.76
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=[NH+]1	REAL300012494609	1	53	0.0	-48.65	427.21	11.75	-36.90
CCN(CC)C1=CC=C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C=[NH+]1	REAL300012494610	1	53	0.0	-47.69	408.90	9.63	-38.06
CCN(CC)C1=CC=C(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C=[NH+]1	REAL300012494611	1	50	0.0	-71.65	391.22	9.95	-61.70
CCN(CC)C1=CC=C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C=[NH+]1	REAL300012494612	1	47	0.0	-76.08	381.61	8.65	-67.43
CCN(CC)C1=CC=C(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=[NH+]1	REAL300012494613	1	53	0.0	-66.94	434.89	10.07	-56.87
CCN(CC)C1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=[NH+]1	REAL300012494614	1	50	0.0	-64.28	419.29	8.91	-55.37
CCN(CC)C1=CC=C(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=[NH+]1	REAL300012494615	1	50	0.0	-64.96	398.22	9.50	-55.46
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C=[NH+]1	REAL300012494616	1	54	0.0	-70.35	433.49	9.67	-60.68
CCN(CC)C1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=[NH+]1	REAL300012494617	1	50	0.0	-64.28	419.29	8.91	-55.37
CCN(CC)C1=CC=C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012494618	1	54	0.0	-74.75	407.97	10.19	-64.56
CCN(CC)C1=CC=C(CNC(=O)NC(CCCOC)C(=O)[O-])C=[NH+]1	REAL300012494619	1	53	0.0	-64.76	425.21	6.82	-57.94
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1	REAL300012494620	1	52	0.0	-62.27	403.25	9.84	-52.43
CCOCC(NC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300012494621	1	50	0.0	-65.11	403.50	6.13	-58.98
CCN(CC)C1=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=[NH+]1	REAL300012494622	1	55	0.0	-66.70	421.11	9.33	-57.37
CCN(CC)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCO2)C=[NH+]1	REAL300012494623	1	54	0.0	-66.03	419.01	7.08	-58.95
CCN(CC)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=[NH+]1	REAL300012494624	1	54	0.0	-68.34	424.40	10.18	-58.16
CCN(CC)C1=CC=C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C=[NH+]1	REAL300012494625	1	51	0.0	-73.02	391.76	8.42	-64.60
CCN(CC)C1=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=[NH+]1	REAL300012494626	1	47	0.0	-67.23	390.88	7.49	-59.74
CCN(CC)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C=[NH+]1	REAL300012494627	1	50	0.0	-49.71	408.87	9.89	-39.82
CCN(CC)C1=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C=[NH+]1	REAL300012494628	1	46	0.0	-60.12	361.30	8.00	-52.12
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N(CC)CC)[NH+]=C2)C1	REAL300012494629	1	54	0.0	-67.15	423.34	8.88	-58.27
CC(C)C[C@H](NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494630	0	55	0.0	-75.76	425.17	6.71	-69.05
C=CCOCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494631	0	54	0.0	-81.02	433.36	5.14	-75.88
C=CC(C)C(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494632	0	53	0.0	-73.62	416.76	6.51	-67.11
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CCOCC3)=CC=N2)CC1	REAL300012494633	0	57	0.0	-78.70	431.23	5.14	-73.56
COC1CCN(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)C(C(=O)[O-])C1	REAL300012494634	0	57	0.0	-87.43	428.73	7.26	-80.17
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CCCOC3)=CC=N2)CC1	REAL300012494635	0	57	0.0	-78.31	431.21	5.17	-73.14
CC1CCN(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)C(C(=O)[O-])C1	REAL300012494636	0	56	0.0	-87.69	417.31	8.88	-78.81
CCCN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494637	0	52	0.0	-67.99	406.18	7.92	-60.07
CC(C(=O)[O-])N(C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C1CCC1	REAL300012494638	0	56	0.0	-68.24	419.22	8.32	-59.92
CCCN(C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(COC)C(=O)[O-]	REAL300012494639	0	59	0.0	-81.42	449.02	8.85	-72.57
CCCN(C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(CC)C(=O)[O-]	REAL300012494640	0	58	0.0	-76.66	433.29	8.97	-67.69
CC(C)C(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494641	0	52	0.0	-75.07	398.19	5.75	-69.32
C[NH+]1CCN(C2=CC(CNC(=O)N3CCCCC3C(=O)[O-])=CC=N2)CC1	REAL300012494642	0	53	0.0	-87.61	396.79	8.54	-79.07
C[NH+]1CCN(C2=CC(CNC(=O)N3CCSCC3C(=O)[O-])=CC=N2)CC1	REAL300012494643	0	51	0.0	-84.57	396.62	8.39	-76.18
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCCCC3)=CC=N2)CC1	REAL300012494644	0	56	0.0	-80.25	416.27	7.55	-72.70
C[NH+]1CCN(C2=CC(CNC(=O)N3CCCC3C(=O)[O-])=CC=N2)CC1	REAL300012494645	0	50	0.0	-81.86	385.49	7.26	-74.60
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCCC3)=CC=N2)CC1	REAL300012494646	0	53	0.0	-85.20	401.17	6.42	-78.78
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCCCCC3)=CC=N2)CC1	REAL300012494647	0	59	0.0	-80.87	421.89	8.22	-72.65
C[NH+]1CCN(C2=CC(CNC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=CC=N2)CC1	REAL300012494648	0	56	0.0	-76.54	444.92	8.42	-68.12
C[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)=CC=N2)CC1	REAL300012494649	0	56	0.0	-68.39	443.67	10.17	-58.22
C[NH+]1CCN(C2=CC(CNC(=O)NCC(=O)[O-])=CC=N2)CC1	REAL300012494650	0	43	0.0	-65.76	344.12	3.49	-62.27
C[NH+]1CCN(C2=CC(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=CC=N2)CC1	REAL300012494651	0	53	0.0	-80.87	422.92	7.41	-73.46
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)=CC=N2)CC1	REAL300012494652	0	53	0.0	-81.05	422.87	7.41	-73.64
CCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494653	0	49	0.0	-79.02	385.91	5.36	-73.66
CC(C)C(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494654	0	52	0.0	-75.07	398.19	5.75	-69.32
CN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494655	0	46	0.0	-74.52	362.87	6.19	-68.33
C[NH+]1CCN(C2=CC(CNC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=CC=N2)CC1	REAL300012494656	0	56	0.0	-76.54	444.92	8.42	-68.12
CC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494657	0	46	0.0	-66.07	365.23	4.29	-61.78
CCC(C)C(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494658	0	55	0.0	-76.34	417.40	6.33	-70.01
CN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494659	0	46	0.0	-74.52	362.87	6.19	-68.33
C[NH+]1CCN(C2=CC(CNC(=O)N3CCCCC3C(=O)[O-])=CC=N2)CC1	REAL300012494660	0	53	0.0	-87.61	396.79	8.54	-79.07
CCCC(C)(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494661	0	55	0.0	-80.88	412.38	6.48	-74.40
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494662	0	52	0.0	-68.51	394.79	7.44	-61.07
C[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])C3CC3)=CC=N2)CC1	REAL300012494663	0	50	0.0	-77.24	385.67	7.45	-69.79
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494664	0	50	0.0	-67.72	397.49	7.73	-59.99
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494665	0	55	0.0	-68.06	420.82	8.44	-59.62
C[NH+]1CCN(C2=CC(CNC(=O)NC(C)(C)C(=O)[O-])=CC=N2)CC1	REAL300012494666	0	49	0.0	-64.75	377.49	4.72	-60.03
C[NH+]1CCN(C2=CC(CNC(=O)NC(C)(C(=O)[O-])C3CC3)=CC=N2)CC1	REAL300012494667	0	53	0.0	-81.56	400.37	6.47	-75.09
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3=CC=CS3)=CC=N2)CC1	REAL300012494668	0	50	0.0	-75.30	414.53	6.50	-68.80
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCCCC3)=CC=N2)CC1	REAL300012494669	0	56	0.0	-80.25	416.27	7.55	-72.70
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494670	0	52	0.0	-68.51	394.79	7.44	-61.07
CCCN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494671	0	52	0.0	-67.99	406.18	7.92	-60.07
CCN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494672	0	49	0.0	-74.57	384.66	7.16	-67.41
CC[C@H](C)[C@H](NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494673	0	55	0.0	-76.77	417.98	6.31	-70.46
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCCC3)=CC=N2)CC1	REAL300012494674	0	53	0.0	-85.20	401.17	6.42	-78.78
CCC(C)(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494675	0	52	0.0	-80.43	390.88	5.72	-74.71
C[NH+]1CCN(C2=CC(CNC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)=CC=N2)CC1	REAL300012494676	0	56	0.0	-82.34	430.70	8.20	-74.14
C[C@H](NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494677	0	46	0.0	-67.11	364.88	4.33	-62.78
CCN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494678	0	49	0.0	-74.57	384.66	7.16	-67.41
C[C@@H](NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494679	0	46	0.0	-68.40	364.91	4.33	-64.07
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CC3)=CC=N2)CC1	REAL300012494680	0	47	0.0	-84.41	371.05	5.55	-78.86
C[NH+]1CCN(C2=CC(CNC(=O)N3CCOCC3C(=O)[O-])=CC=N2)CC1	REAL300012494681	0	51	0.0	-84.03	387.60	5.82	-78.21
CN(C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C1(C(=O)[O-])CCCCC1	REAL300012494682	0	59	0.0	-86.71	425.51	8.87	-77.84
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CC3)=CC=N2)CC1	REAL300012494683	0	50	0.0	-76.45	396.49	5.89	-70.56
CN(C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012494684	0	56	0.0	-78.90	434.04	9.30	-69.60
COCCN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494685	0	53	0.0	-68.34	416.04	6.35	-61.99
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494686	0	50	0.0	-85.58	386.23	6.95	-78.63
C[NH+]1CCN(C2=CC(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494687	0	53	0.0	-86.42	396.29	8.25	-78.17
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494688	0	49	0.0	-73.88	377.77	6.42	-67.46
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494689	0	50	0.0	-82.29	386.20	6.97	-75.32
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCC3)=CC=N2)CC1	REAL300012494690	0	50	0.0	-85.26	387.86	6.06	-79.20
C=CCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494691	0	50	0.0	-79.25	400.06	5.79	-73.46
C[NH+]1CCN(C2=CC(CNC(=O)N3CCCC3(C)C(=O)[O-])=CC=N2)CC1	REAL300012494692	0	53	0.0	-81.77	402.57	7.82	-73.95
C[NH+]1CCN(C2=CC(CNC(=O)N3CCCCCC3C(=O)[O-])=CC=N2)CC1	REAL300012494693	0	56	0.0	-86.54	410.79	9.20	-77.34
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CC3)=CC=N2)CC1	REAL300012494694	0	50	0.0	-76.45	396.49	5.89	-70.56
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494695	0	49	0.0	-70.11	377.77	6.42	-63.69
CCCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494696	0	55	0.0	-79.54	429.74	6.89	-72.65
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=N2)CC1	REAL300012494697	0	53	0.0	-86.83	402.64	7.80	-79.03
C[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])C3CCCC3)=CC=N2)CC1	REAL300012494698	0	56	0.0	-64.15	421.00	8.74	-55.41
COCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494699	0	50	0.0	-81.00	398.60	3.59	-77.41
CCCCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494700	0	58	0.0	-79.01	450.41	7.68	-71.33
C[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])C3CCOCC3)=CC=N2)CC1	REAL300012494701	0	57	0.0	-68.16	429.44	7.07	-61.09
CN(C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C1(C(=O)[O-])CCCC1	REAL300012494702	0	56	0.0	-83.58	413.72	8.38	-75.20
CC(C(=O)[O-])N(C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C1CC1	REAL300012494703	0	53	0.0	-74.56	395.54	7.45	-67.11
CCC(C(=O)[O-])N(C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C1CC1	REAL300012494704	0	56	0.0	-68.62	423.58	8.88	-59.74
CC1=CC=C(C(NC(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)C(=O)[O-])C=C1	REAL300012494705	0	56	0.0	-80.79	444.07	8.18	-72.61
C[NH+]1CCN(C2=CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])=CC=N2)CC1	REAL300012494706	0	49	0.0	-72.83	401.84	6.07	-66.76
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCSCC3)=CC=N2)CC1	REAL300012494707	0	54	0.0	-75.97	413.91	7.22	-68.75
COCC(C)(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494708	0	53	0.0	-84.58	409.13	5.01	-79.57
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494709	0	56	0.0	-75.62	429.37	6.83	-68.79
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494710	0	55	0.0	-68.06	420.82	8.44	-59.62
C[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])C3CC3)=CC=N2)CC1	REAL300012494711	0	50	0.0	-77.24	385.67	7.45	-69.79
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCOC3)=CC=N2)CC1	REAL300012494712	0	51	0.0	-79.42	392.39	3.85	-75.57
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CCCCC3)=CC=N2)CC1	REAL300012494713	0	59	0.0	-76.72	439.81	7.63	-69.09
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCOCC3)=CC=N2)CC1	REAL300012494714	0	54	0.0	-78.86	407.65	5.06	-73.80
C=CCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494715	0	53	0.0	-78.99	421.06	6.67	-72.32
C[NH+]1CCN(C2=CC(CNC(=O)NC(CF)C(=O)[O-])=CC=N2)CC1	REAL300012494716	0	46	0.0	-65.29	368.36	4.36	-60.93
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494717	0	49	0.0	-70.11	377.77	6.42	-63.69
CCC(CC)(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494718	0	55	0.0	-82.00	407.56	6.60	-75.40
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494719	0	55	0.0	-66.78	417.76	8.66	-58.12
CCC(COC)(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494720	0	56	0.0	-86.29	425.80	5.90	-80.39
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494721	0	59	0.0	-76.35	449.64	7.58	-68.77
C[NH+]1CCN(C2=CC(CNC(=O)NC(CC3CC3)C(=O)[O-])=CC=N2)CC1	REAL300012494722	0	53	0.0	-79.58	418.35	6.90	-72.68
COCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494723	0	53	0.0	-79.45	420.42	4.41	-75.04
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494724	0	58	0.0	-76.93	435.97	8.78	-68.15
C[NH+]1CCN(C2=CC(CNC(=O)NC(CC(F)F)C(=O)[O-])=CC=N2)CC1	REAL300012494725	0	49	0.0	-78.30	399.09	5.63	-72.67
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494726	0	59	0.0	-88.18	437.34	9.77	-78.41
CCCN(C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(C)C(=O)[O-]	REAL300012494727	0	55	0.0	-65.91	417.02	8.80	-57.11
C[NH+]1CCN(C2=CC(CNC(=O)NC(CCF)C(=O)[O-])=CC=N2)CC1	REAL300012494728	0	49	0.0	-77.24	392.50	5.51	-71.73
C[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])C3CCOCC3)=CC=N2)CC1	REAL300012494729	0	57	0.0	-68.16	429.44	7.07	-61.09
C[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])C3CCCCC3)=CC=N2)CC1	REAL300012494730	0	59	0.0	-69.69	438.35	9.44	-60.25
C[C@H]1CC[C@@](NC(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)(C(=O)[O-])CC1	REAL300012494731	0	59	0.0	-80.26	430.03	7.95	-72.31
C[NH+]1CCN(C2=CC(CNC(=O)NC(C)(CCF)C(=O)[O-])=CC=N2)CC1	REAL300012494732	0	52	0.0	-77.20	397.47	5.85	-71.35
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])=CC=N2)CC1	REAL300012494733	0	54	0.0	-65.27	420.24	8.04	-57.23
C[NH+]1CCN(C2=CC(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494734	0	50	0.0	-78.63	399.23	7.11	-71.52
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494735	0	49	0.0	-71.40	376.83	6.42	-64.98
C[NH+]1CCN(C2=CC(CNC(=O)N3CC4CC3(C(=O)[O-])C4)=CC=N2)CC1	REAL300012494736	0	51	0.0	-87.97	390.55	7.90	-80.07
COC1CN(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)C(C)(C(=O)[O-])C1	REAL300012494737	0	57	0.0	-85.68	435.89	6.79	-78.89
C[NH+]1CCN(C2=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=N2)CC1	REAL300012494738	0	55	0.0	-75.72	415.92	6.47	-69.25
C=C(Cl)CC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494739	0	50	0.0	-80.11	416.01	6.40	-73.71
C=C(C)CC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494740	0	53	0.0	-79.88	420.59	6.54	-73.34
C[NH+]1CCN(C2=CC(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)=CC=N2)CC1	REAL300012494741	0	54	0.0	-93.04	407.59	8.70	-84.34
C[NH+]1CCN(C2=CC(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494742	0	50	0.0	-75.27	399.18	7.15	-68.12
C[NH+]1CCN(C2=CC(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494743	0	50	0.0	-83.70	391.99	7.35	-76.35
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)C1	REAL300012494744	0	51	0.0	-86.72	399.74	7.32	-79.40
CC(C)C[C@H](NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494745	0	55	0.0	-75.76	425.17	6.71	-69.05
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CCOCC3)=CC=N2)CC1	REAL300012494746	0	57	0.0	-78.70	431.23	5.14	-73.56
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)=CC=N2)CC1	REAL300012494747	0	53	0.0	-81.05	422.87	7.41	-73.64
C[NH+]1CCN(C2=CC(CNC(=O)NC(CC3CC3)C(=O)[O-])=CC=N2)CC1	REAL300012494748	0	53	0.0	-79.58	418.35	6.90	-72.68
CC(C)CCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494749	0	61	0.0	-79.13	467.98	8.20	-70.93
C[NH+]1CCN(C2=CC(CNC(=O)NC(CC3CCCO3)C(=O)[O-])=CC=N2)CC1	REAL300012494750	0	57	0.0	-79.74	442.68	5.79	-73.95
CSCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494751	0	50	0.0	-76.41	409.54	5.79	-70.62
COC[C@H](NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494752	0	50	0.0	-76.97	398.11	3.57	-73.40
CC[C@H](NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494753	0	49	0.0	-75.20	385.91	5.36	-69.84
CCC(C)CC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494754	0	58	0.0	-79.63	442.84	7.32	-72.31
C=CCCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494755	0	56	0.0	-78.64	441.72	7.47	-71.17
C[NH+]1CCN(C2=CC(CNC(=O)N3CCSCC3C(=O)[O-])=CC=N2)CC1	REAL300012494756	0	51	0.0	-84.57	396.62	8.39	-76.18
C[NH+]1CCN(C2=CC(CNC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)=CC=N2)CC1	REAL300012494757	0	56	0.0	-82.34	430.70	8.20	-74.14
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494758	0	50	0.0	-85.58	386.23	6.95	-78.63
CCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494759	0	52	0.0	-79.02	407.41	6.13	-72.89
CC(C)[C@@H](NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494760	0	52	0.0	-78.98	398.19	5.75	-73.23
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])=CC=N2)CC1	REAL300012494761	0	54	0.0	-91.37	406.76	8.86	-82.51
CCN(C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(C)(C)C(=O)[O-]	REAL300012494762	0	55	0.0	-79.79	411.41	8.11	-71.68
CCCN(C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(C)C(=O)[O-]	REAL300012494763	0	55	0.0	-65.91	417.02	8.80	-57.11
C[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=CC=N2)CC1	REAL300012494764	0	49	0.0	-70.78	399.29	7.67	-63.11
C[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=CC=N2)CC1	REAL300012494765	0	49	0.0	-70.78	399.29	7.67	-63.11
CN(C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(C)(C)C(=O)[O-]	REAL300012494766	0	52	0.0	-79.74	391.98	7.23	-72.51
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494767	0	50	0.0	-82.29	386.20	6.97	-75.32
C[NH+]1CCN(C2=CC(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494768	0	51	0.0	-84.31	398.90	3.45	-80.86
CCC[C@@H](NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494769	0	52	0.0	-79.05	408.24	6.12	-72.93
C[NH+]1CCN(C2=CC(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=CC=N2)CC1	REAL300012494770	0	53	0.0	-80.87	422.92	7.41	-73.46
C=CCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494771	0	53	0.0	-78.99	421.06	6.67	-72.32
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)CC1=O	REAL300012494772	0	54	0.0	-79.23	413.76	6.51	-72.72
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=N2)CC1	REAL300012494773	0	53	0.0	-82.13	402.59	7.81	-74.32
CC(C)[C@H](NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494774	0	52	0.0	-76.24	403.78	5.92	-70.32
C[NH+]1CCN(C2=CC(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)=CC=N2)CC1	REAL300012494775	0	53	0.0	-78.04	422.87	7.41	-70.63
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494776	0	49	0.0	-71.40	376.83	6.42	-64.98
CCC[C@H](NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494777	0	52	0.0	-75.74	408.21	6.11	-69.63
CCN(C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(C)C(=O)[O-]	REAL300012494778	0	52	0.0	-70.49	394.45	7.20	-63.29
C[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])C3CCCC3)=CC=N2)CC1	REAL300012494779	0	56	0.0	-64.15	421.00	8.74	-55.41
CC(CN(C)C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494780	0	52	0.0	-75.88	397.97	6.85	-69.03
CC[C@H](C)[C@H](NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494781	0	55	0.0	-76.77	417.98	6.31	-70.46
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494782	0	52	0.0	-71.81	397.13	7.50	-64.31
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)=CC=N2)CC1	REAL300012494783	0	54	0.0	-90.42	418.41	3.25	-87.17
CC1CCC(NC(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)(C(=O)[O-])C1	REAL300012494784	0	56	0.0	-80.72	422.81	7.08	-73.64
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCCC3(C)C)=CC=N2)CC1	REAL300012494785	0	59	0.0	-81.55	430.68	7.70	-73.85
COCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494786	0	53	0.0	-79.45	420.42	4.41	-75.04
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)=CC=N2)CC1	REAL300012494787	0	56	0.0	-84.86	424.26	7.77	-77.09
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3(C)CC3)=CC=N2)CC1	REAL300012494788	0	53	0.0	-81.13	408.16	6.69	-74.44
C[NH+]1CCN(C2=CC(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494789	0	51	0.0	-89.00	397.46	3.74	-85.26
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CCOC3)=CC=N2)CC1	REAL300012494790	0	54	0.0	-74.23	418.97	4.39	-69.84
C[NH+]1CCN(C2=CC(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])=CC=N2)CC1	REAL300012494791	0	54	0.0	-90.99	407.18	8.41	-82.58
C[NH+]1CCN(C2=CC(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)=CC=N2)CC1	REAL300012494792	0	52	0.0	-84.90	400.10	6.09	-78.81
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)C1	REAL300012494793	0	56	0.0	-87.06	417.72	9.13	-77.93
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CCC3)=CC=N2)CC1	REAL300012494794	0	53	0.0	-76.29	413.51	6.39	-69.90
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CCCCC3)=CC=N2)CC1	REAL300012494795	0	59	0.0	-76.72	439.81	7.63	-69.09
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CCC3)=CC=N2)CC1	REAL300012494796	0	53	0.0	-76.29	413.51	6.39	-69.90
CC1CCN(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)C1C(=O)[O-]	REAL300012494797	0	53	0.0	-83.32	406.75	7.57	-75.75
C=CCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494798	0	50	0.0	-79.25	400.06	5.79	-73.46
C[NH+]1CCN(C2=CC(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494799	0	54	0.0	-70.52	408.88	8.26	-62.26
COC1CC(NC(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)(C(=O)[O-])C1	REAL300012494800	0	54	0.0	-80.84	419.47	4.93	-75.91
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)=CC=N2)CC1	REAL300012494801	0	50	0.0	-78.96	396.42	6.08	-72.88
CO[C@H]1C[C@](NC(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)(C(=O)[O-])C1	REAL300012494802	0	54	0.0	-83.46	419.83	5.32	-78.14
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494803	0	56	0.0	-87.74	415.89	9.04	-78.70
C[NH+]1CCN(C2=CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])=CC=N2)CC1	REAL300012494804	0	49	0.0	-72.83	401.84	6.07	-66.76
C[NH+]1CCN(C2=CC(CNC(=O)NC(CC3CCOC3)C(=O)[O-])=CC=N2)CC1	REAL300012494805	0	57	0.0	-80.74	441.59	5.42	-75.32
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])COC3)=CC=N2)CC1	REAL300012494806	0	48	0.0	-77.49	378.66	3.10	-74.39
CC(C)C(C)(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494807	0	55	0.0	-77.60	407.62	6.40	-71.20
C[NH+]1CCN(C2=CC(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494808	0	51	0.0	-88.86	392.78	8.46	-80.40
C[NH+]1CCN(C2=CC(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494809	0	54	0.0	-84.22	408.75	8.02	-76.20
C=CCSCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494810	0	54	0.0	-76.69	443.82	7.24	-69.45
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494811	0	55	0.0	-76.33	411.78	8.24	-68.09
COC1(C(NC(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)C(=O)[O-])CCC1	REAL300012494812	0	57	0.0	-73.51	433.68	4.98	-68.53
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CC(C(F)F)C3)=CC=N2)CC1	REAL300012494813	0	53	0.0	-80.31	421.82	6.95	-73.36
C[NH+]1CCN(C2=CC(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494815	0	50	0.0	-83.70	391.99	7.35	-76.35
C[NH+]1CCN(C2=CC(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])=CC=N2)CC1	REAL300012494816	0	52	0.0	-67.47	401.59	8.07	-59.40
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])=CC=N2)CC1	REAL300012494817	0	56	0.0	-84.46	421.63	7.91	-76.55
CC(C)CCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494818	0	58	0.0	-79.76	447.31	7.41	-72.35
C[NH+]1CCN(C2=CC(CNC(=O)N3CC4(CCC4)CC3C(=O)[O-])=CC=N2)CC1	REAL300012494819	0	57	0.0	-69.42	432.36	8.75	-60.67
C[NH+]1CCN(C2=CC(CNC(=O)NC(CC3CCOC3)C(=O)[O-])=CC=N2)CC1	REAL300012494820	0	57	0.0	-80.74	441.59	5.42	-75.32
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)C1	REAL300012494821	0	54	0.0	-84.09	429.75	8.22	-75.87
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCCC4CC43)=CC=N2)CC1	REAL300012494822	0	57	0.0	-80.13	424.82	7.94	-72.19
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCC4CC43)=CC=N2)CC1	REAL300012494823	0	54	0.0	-86.54	409.23	7.29	-79.25
C[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)=CC=N2)CC1	REAL300012494824	0	57	0.0	-84.91	430.39	7.69	-77.22
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CCCC3)=CC=N2)CC1	REAL300012494825	0	56	0.0	-76.04	428.53	7.07	-68.97
CO[C@H](C)[C@H](NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494826	0	53	0.0	-76.69	416.23	4.58	-72.11
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494827	0	53	0.0	-80.58	400.87	6.60	-73.98
C[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)=CC=N2)CC1	REAL300012494828	0	56	0.0	-68.39	443.67	10.17	-58.22
C[NH+]1CCN(C2=CC(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])=CC=N2)CC1	REAL300012494829	0	56	0.0	-59.50	425.36	8.05	-51.45
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(F)(F)CC3C(=O)[O-])=CC=N2)CC1	REAL300012494830	0	53	0.0	-83.16	407.67	8.37	-74.79
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])=CC=N2)CC1	REAL300012494831	0	50	0.0	-84.87	395.36	7.44	-77.43
C[NH+]1CCN(C2=CC(CNC(=O)N3CC(F)(F)CC3(C)C(=O)[O-])=CC=N2)CC1	REAL300012494832	0	53	0.0	-78.22	414.69	7.93	-70.29
C[NH+]1CCN(C2=CC(CNC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012494833	0	57	0.0	-84.97	424.24	8.35	-76.62
COCCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494834	0	56	0.0	-78.74	441.92	5.18	-73.56
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494835	0	55	0.0	-75.32	418.63	8.28	-67.04
CCOCC(NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300012494836	0	53	0.0	-81.34	419.97	4.55	-76.79
C[NH+]1CCN(C2=CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])=CC=N2)CC1	REAL300012494837	0	58	0.0	-75.45	437.33	7.80	-67.65
C[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CCCCO3)=CC=N2)CC1	REAL300012494838	0	57	0.0	-78.65	437.98	5.90	-72.75
C[C@H]1OCCN(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)[C@@H]1C(=O)[O-]	REAL300012494839	0	54	0.0	-86.84	408.49	6.80	-80.04
C[NH+]1CCN(C2=CC(CNC(=O)NC(CCC#N)C(=O)[O-])=CC=N2)CC1	REAL300012494840	0	50	0.0	-79.58	406.78	5.87	-73.71
C[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])CC3=CC=CO3)=CC=N2)CC1	REAL300012494841	0	53	0.0	-69.09	425.33	8.31	-60.78
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300012494842	0	49	0.0	-73.88	377.77	6.42	-67.46
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)C1	REAL300012494843	0	57	0.0	-82.35	439.84	7.29	-75.06
CC(C)C[C@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494844	1	56	0.0	-64.25	418.18	7.56	-56.69
C=CCOCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494845	1	55	0.0	-65.09	425.81	5.94	-59.15
C=CC(C)C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494846	1	54	0.0	-65.45	411.22	7.31	-58.14
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCOCC1	REAL300012494847	1	58	0.0	-65.60	429.70	6.22	-59.38
COC1CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C(C(=O)[O-])C1	REAL300012494848	1	58	0.0	-75.38	420.26	8.21	-67.17
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCCOC1	REAL300012494849	1	58	0.0	-65.34	424.15	5.99	-59.35
CC1CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C(C(=O)[O-])C1	REAL300012494850	1	57	0.0	-74.19	403.57	9.50	-64.69
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494851	1	53	0.0	-48.71	399.11	8.74	-39.97
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCC1	REAL300012494852	1	57	0.0	-39.63	406.15	9.79	-29.84
CCCN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(COC)C(=O)[O-]	REAL300012494853	1	60	0.0	-69.62	440.94	9.69	-59.93
CCCN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(CC)C(=O)[O-]	REAL300012494854	1	59	0.0	-53.35	425.51	9.60	-43.75
CC(C)C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494855	1	53	0.0	-65.68	391.12	6.57	-59.11
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494856	1	54	0.0	-74.39	391.31	9.38	-65.01
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494857	1	52	0.0	-71.32	390.01	9.08	-62.24
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCCCC1	REAL300012494858	1	57	0.0	-69.85	409.19	8.37	-61.48
O=C([O-])C1CCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494859	1	51	0.0	-70.19	378.42	8.08	-62.11
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCCC1	REAL300012494860	1	54	0.0	-69.74	394.68	7.28	-62.46
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCCCCC1	REAL300012494861	1	60	0.0	-70.69	414.82	9.04	-61.65
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494862	1	57	0.0	-67.47	437.87	9.24	-58.23
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494863	1	57	0.0	-48.72	436.58	10.99	-37.73
O=C([O-])CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494864	1	44	0.0	-55.93	337.06	4.31	-51.62
O=C([O-])[C@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012494865	1	54	0.0	-67.13	415.86	8.23	-58.90
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012494866	1	54	0.0	-66.67	415.62	8.32	-58.35
CCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494867	1	50	0.0	-65.73	379.44	6.23	-59.50
CC(C)C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494868	1	53	0.0	-65.68	391.12	6.57	-59.11
CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494869	1	47	0.0	-65.42	355.80	7.00	-58.42
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494870	1	57	0.0	-67.47	437.87	9.24	-58.23
CC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494871	1	47	0.0	-57.29	358.16	5.11	-52.18
CCC(C)C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494872	1	56	0.0	-65.51	414.66	7.38	-58.13
CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494873	1	47	0.0	-65.42	355.80	7.00	-58.42
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494874	1	54	0.0	-74.39	391.31	9.38	-65.01
CCCC(C)(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494875	1	56	0.0	-65.89	405.31	7.30	-58.59
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494876	1	53	0.0	-49.78	387.87	8.26	-41.52
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CC1	REAL300012494877	1	51	0.0	-66.27	383.86	8.42	-57.85
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494878	1	51	0.0	-48.50	390.42	8.55	-39.95
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494879	1	56	0.0	-48.14	413.52	9.05	-39.09
CC(C)(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494880	1	50	0.0	-55.10	370.43	5.54	-49.56
CC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)(C(=O)[O-])C1CC1	REAL300012494881	1	54	0.0	-67.49	393.31	7.29	-60.20
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1=CC=CS1	REAL300012494882	1	51	0.0	-63.82	407.44	7.33	-56.49
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCCCC1	REAL300012494883	1	57	0.0	-69.85	409.19	8.37	-61.48
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494884	1	53	0.0	-49.78	387.87	8.26	-41.52
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494885	1	53	0.0	-48.71	399.11	8.74	-39.97
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494886	1	50	0.0	-65.73	377.61	7.98	-57.75
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494887	1	56	0.0	-65.35	410.92	7.13	-58.22
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCCC1	REAL300012494888	1	54	0.0	-69.74	394.68	7.28	-62.46
CCC(C)(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494889	1	53	0.0	-65.65	383.82	6.54	-59.11
CC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012494890	1	57	0.0	-67.52	423.64	9.02	-58.50
C[C@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494891	1	47	0.0	-55.99	357.68	5.17	-50.82
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494892	1	50	0.0	-65.73	377.61	7.98	-57.75
C[C@@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494893	1	47	0.0	-57.27	358.16	5.11	-52.16
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC1	REAL300012494894	1	48	0.0	-71.20	364.01	6.37	-64.83
O=C([O-])C1COCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494895	1	52	0.0	-72.04	380.88	6.79	-65.25
CN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1(C(=O)[O-])CCCCC1	REAL300012494896	1	60	0.0	-71.71	418.45	9.69	-62.02
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CC1	REAL300012494897	1	51	0.0	-66.65	383.91	6.64	-60.01
CN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012494898	1	57	0.0	-63.79	423.76	9.88	-53.91
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494899	1	54	0.0	-49.40	408.99	7.17	-42.23
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494900	1	51	0.0	-70.88	379.21	7.76	-63.12
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494901	1	54	0.0	-73.78	389.46	9.09	-64.69
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494902	1	50	0.0	-61.99	370.70	7.24	-54.75
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494903	1	51	0.0	-72.28	378.43	8.08	-64.20
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCC1	REAL300012494904	1	51	0.0	-70.59	380.81	6.89	-63.70
C=CCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494905	1	51	0.0	-63.06	392.16	6.62	-56.44
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494906	1	54	0.0	-70.02	395.59	8.63	-61.39
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494907	1	57	0.0	-71.47	402.87	9.64	-61.83
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CC1	REAL300012494908	1	51	0.0	-66.65	383.91	6.64	-60.01
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494909	1	50	0.0	-62.03	370.70	7.24	-54.79
CCCCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494910	1	56	0.0	-66.10	422.68	7.71	-58.39
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494911	1	54	0.0	-70.00	395.52	8.62	-61.38
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCCC1	REAL300012494912	1	57	0.0	-49.10	408.15	9.33	-39.77
COCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494913	1	51	0.0	-65.08	391.05	4.39	-60.69
CCCCCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494914	1	59	0.0	-65.61	443.94	8.56	-57.05
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCOCC1	REAL300012494915	1	58	0.0	-48.48	422.38	7.89	-40.59
CN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1(C(=O)[O-])CCCC1	REAL300012494916	1	57	0.0	-72.71	405.13	8.99	-63.72
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CC1	REAL300012494917	1	54	0.0	-53.40	396.16	8.53	-44.87
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CC1	REAL300012494918	1	57	0.0	-54.76	416.87	9.75	-45.01
CC1=CC=C(C(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C(=O)[O-])C=C1	REAL300012494919	1	57	0.0	-65.21	437.00	9.00	-56.21
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494920	1	50	0.0	-59.08	395.61	6.86	-52.22
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCSCC1	REAL300012494921	1	55	0.0	-64.30	406.87	8.07	-56.23
COCC(C)(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494922	1	54	0.0	-70.15	402.06	5.83	-64.32
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494923	1	57	0.0	-62.12	422.34	7.65	-54.47
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494924	1	56	0.0	-48.14	413.52	9.05	-39.09
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CC1	REAL300012494925	1	51	0.0	-66.27	383.86	8.42	-57.85
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCOC1	REAL300012494926	1	52	0.0	-63.87	385.32	4.66	-59.21
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCCCC1	REAL300012494927	1	60	0.0	-68.32	433.42	8.37	-59.95
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCOCC1	REAL300012494928	1	55	0.0	-69.21	400.61	5.89	-63.32
C=CCCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494929	1	54	0.0	-65.49	413.75	7.56	-57.93
O=C([O-])C(CF)NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494930	1	47	0.0	-53.70	361.30	5.18	-48.52
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494931	1	50	0.0	-62.03	370.70	7.24	-54.79
CCC(CC)(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494932	1	56	0.0	-66.89	400.21	7.43	-59.46
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494933	1	56	0.0	-48.00	408.33	9.32	-38.68
CCC(COC)(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494934	1	57	0.0	-69.67	418.74	6.72	-62.95
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494935	1	60	0.0	-62.68	442.61	8.40	-54.28
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494936	1	54	0.0	-64.30	411.29	7.73	-56.57
COCCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494937	1	54	0.0	-66.51	413.35	5.23	-61.28
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494938	1	59	0.0	-64.18	429.74	9.61	-54.57
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494939	1	50	0.0	-65.90	392.03	6.45	-59.45
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494940	1	60	0.0	-73.03	430.74	10.31	-62.72
CCCN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012494941	1	56	0.0	-62.97	408.87	8.70	-54.27
O=C([O-])C(CCF)NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494942	1	50	0.0	-64.71	386.03	6.37	-58.34
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCOCC1	REAL300012494943	1	58	0.0	-48.48	422.38	7.89	-40.59
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCCCC1	REAL300012494944	1	60	0.0	-51.32	431.35	10.26	-41.06
C[C@H]1CC[C@@](NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)(C(=O)[O-])CC1	REAL300012494945	1	60	0.0	-68.25	422.99	8.75	-59.50
CC(CCF)(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494946	1	53	0.0	-62.82	390.41	6.68	-56.14
O=C([O-])C1C2=C(CCN1C(=O)NCC1=CC=C(N3CCCCCC3)[NH+]=C1)OC=C2	REAL300012494947	1	55	0.0	-52.32	413.50	8.86	-43.46
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494948	1	51	0.0	-65.55	393.51	7.83	-57.72
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494949	1	50	0.0	-60.70	370.70	7.24	-53.46
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494950	1	52	0.0	-75.95	383.51	8.68	-67.27
COC1CN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C(C)(C(=O)[O-])C1	REAL300012494951	1	58	0.0	-67.81	428.33	7.66	-60.15
CC(C)(C)[C@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494952	1	56	0.0	-65.47	410.47	7.28	-58.19
C=C(Cl)CC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494953	1	51	0.0	-65.23	408.95	7.23	-58.00
C=C(C)CC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494954	1	54	0.0	-64.44	413.53	7.37	-57.07
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494955	1	55	0.0	-76.61	399.32	9.55	-67.06
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494956	1	51	0.0	-65.83	391.42	8.25	-57.58
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494957	1	51	0.0	-68.32	385.65	7.88	-60.44
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300012494958	1	52	0.0	-70.41	392.64	8.15	-62.26
CC(C)C[C@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494959	1	56	0.0	-64.25	418.18	7.56	-56.69
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCOCC1	REAL300012494960	1	58	0.0	-65.60	429.70	6.22	-59.38
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012494961	1	54	0.0	-66.67	415.62	8.32	-58.35
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494962	1	54	0.0	-64.30	411.29	7.73	-56.57
CC(C)CCCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494963	1	62	0.0	-65.72	461.50	9.07	-56.65
O=C([O-])C(CC1CCCO1)NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494964	1	58	0.0	-70.43	435.87	6.55	-63.88
CSCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494965	1	51	0.0	-61.02	402.48	6.61	-54.41
COC[C@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494966	1	51	0.0	-65.11	391.05	4.39	-60.72
CC[C@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494967	1	50	0.0	-64.47	379.68	6.16	-58.31
CCC(C)CC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494968	1	59	0.0	-66.48	436.10	8.20	-58.28
C=CCCCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494969	1	57	0.0	-65.79	435.25	8.34	-57.45
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494970	1	52	0.0	-71.32	390.01	9.08	-62.24
CC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012494971	1	57	0.0	-67.52	423.64	9.02	-58.50
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494972	1	51	0.0	-70.88	379.21	7.76	-63.12
CCCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494973	1	53	0.0	-65.72	400.94	6.99	-58.73
CC(C)[C@@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494974	1	53	0.0	-66.42	391.78	6.50	-59.92
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494975	1	55	0.0	-77.06	399.72	9.65	-67.41
CCN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(C)(C)C(=O)[O-]	REAL300012494976	1	56	0.0	-69.00	404.36	8.93	-60.07
CCCN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012494977	1	56	0.0	-62.97	408.87	8.70	-54.27
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494978	1	50	0.0	-60.86	392.23	8.49	-52.37
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494979	1	50	0.0	-60.86	392.23	8.49	-52.37
CN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(C)(C)C(=O)[O-]	REAL300012494980	1	53	0.0	-69.06	384.85	8.04	-61.02
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494981	1	51	0.0	-72.28	378.43	8.08	-64.20
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494982	1	52	0.0	-74.58	390.44	4.40	-70.18
CCC[C@@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494983	1	53	0.0	-65.70	400.94	6.99	-58.71
O=C([O-])[C@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012494984	1	54	0.0	-67.13	415.86	8.23	-58.90
C=CCCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494985	1	54	0.0	-65.49	413.75	7.56	-57.93
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC1=O	REAL300012494986	1	55	0.0	-65.77	406.38	7.38	-58.39
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494987	1	54	0.0	-70.39	395.52	8.63	-61.76
CC(C)[C@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494988	1	53	0.0	-66.49	392.35	6.49	-60.00
O=C([O-])[C@@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012494989	1	54	0.0	-65.22	415.59	8.32	-56.90
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494990	1	50	0.0	-60.70	370.70	7.24	-53.46
CCC[C@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494991	1	53	0.0	-65.49	400.33	6.94	-58.55
CCN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012494992	1	53	0.0	-62.72	387.39	8.02	-54.70
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCCC1	REAL300012494993	1	57	0.0	-49.10	408.15	9.33	-39.77
CC(CN(C)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494994	1	53	0.0	-70.33	391.15	7.90	-62.43
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494995	1	56	0.0	-65.35	410.92	7.13	-58.22
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012494996	1	53	0.0	-61.98	390.09	8.16	-53.82
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC(CO)C1	REAL300012494997	1	55	0.0	-69.38	413.06	4.17	-65.21
CC1CCC(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012494998	1	57	0.0	-70.00	415.74	7.91	-62.09
CC1(C)CCCC1(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012494999	1	60	0.0	-70.09	425.22	8.63	-61.46
COCCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495000	1	54	0.0	-66.51	413.35	5.23	-61.28
CC1(C)CC(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012495001	1	57	0.0	-69.90	417.22	8.59	-61.31
CC1(C(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C(=O)[O-])CC1	REAL300012495002	1	54	0.0	-67.79	401.14	7.51	-60.28
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495003	1	52	0.0	-78.32	389.14	4.57	-73.75
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCOC1	REAL300012495004	1	55	0.0	-64.88	406.85	5.18	-59.70
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495005	1	55	0.0	-74.65	400.39	9.21	-65.44
O=C([O-])C12COC(CN1C(=O)NCC1=CC=C(N3CCCCCC3)[NH+]=C1)C2	REAL300012495006	1	53	0.0	-72.65	391.68	6.95	-65.70
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300012495007	1	57	0.0	-74.57	410.94	9.98	-64.59
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCC1	REAL300012495008	1	54	0.0	-67.08	399.82	7.05	-60.03
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCCCC1	REAL300012495009	1	60	0.0	-68.32	433.42	8.37	-59.95
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCC1	REAL300012495010	1	54	0.0	-67.08	399.82	7.05	-60.03
CC1CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1C(=O)[O-]	REAL300012495011	1	54	0.0	-72.92	394.61	8.24	-64.68
C=CCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495012	1	51	0.0	-63.06	392.16	6.62	-56.44
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495013	1	55	0.0	-47.66	401.31	9.11	-38.55
COC1CC(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012495014	1	55	0.0	-73.20	414.17	5.83	-67.37
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC(F)(F)C1	REAL300012495015	1	51	0.0	-69.04	389.23	6.91	-62.13
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012495016	1	55	0.0	-66.51	412.88	6.14	-60.37
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495017	1	57	0.0	-72.94	411.35	9.77	-63.17
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495018	1	50	0.0	-59.08	395.61	6.86	-52.22
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495019	1	58	0.0	-65.65	434.54	6.24	-59.41
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)COC1	REAL300012495020	1	49	0.0	-64.44	371.63	3.92	-60.52
CC(C)C(C)(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495021	1	56	0.0	-66.34	398.74	7.17	-59.17
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495022	1	52	0.0	-74.70	385.29	9.25	-65.45
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495023	1	55	0.0	-74.32	401.63	8.67	-65.65
C=CCSCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495024	1	55	0.0	-61.92	437.43	8.04	-53.88
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495025	1	56	0.0	-63.51	404.39	8.98	-54.53
COC1(C(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C(=O)[O-])CCC1	REAL300012495026	1	58	0.0	-62.74	426.75	5.86	-56.88
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC(C(F)F)C1	REAL300012495027	1	54	0.0	-70.86	413.03	7.67	-63.19
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495029	1	51	0.0	-68.32	385.65	7.88	-60.44
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495030	1	53	0.0	-44.51	393.99	8.85	-35.66
CC1(C)CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1C(=O)[O-]	REAL300012495031	1	57	0.0	-72.36	414.56	8.73	-63.63
CC(C)CCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495032	1	59	0.0	-65.85	440.01	8.29	-57.56
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495033	1	58	0.0	-44.32	426.29	9.50	-34.82
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495034	1	58	0.0	-65.65	434.54	6.24	-59.41
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300012495035	1	55	0.0	-70.66	422.80	9.05	-61.61
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCCC2CC21	REAL300012495036	1	58	0.0	-69.84	415.03	9.03	-60.81
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCC2CC21	REAL300012495037	1	55	0.0	-69.57	402.17	8.11	-61.46
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC2(CCC2)C1	REAL300012495038	1	58	0.0	-69.52	423.43	8.50	-61.02
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCCC1	REAL300012495039	1	57	0.0	-67.74	423.11	7.87	-59.87
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495040	1	54	0.0	-65.51	409.68	5.41	-60.10
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495041	1	54	0.0	-72.48	402.70	7.91	-64.57
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495042	1	57	0.0	-48.72	436.58	10.99	-37.73
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300012495043	1	57	0.0	-47.40	418.30	8.88	-38.52
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495044	1	54	0.0	-71.73	400.74	9.19	-62.54
O=C([O-])C1N(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCC1(F)F	REAL300012495045	1	51	0.0	-76.25	391.00	7.89	-68.36
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495046	1	54	0.0	-63.55	407.62	8.75	-54.80
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495047	1	58	0.0	-73.07	417.62	9.26	-63.81
COCCCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495048	1	57	0.0	-64.91	434.61	6.07	-58.84
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495049	1	56	0.0	-62.70	412.65	9.09	-53.61
CCOCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495050	1	54	0.0	-65.51	412.91	5.37	-60.14
CC(C)(C)CC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495051	1	59	0.0	-64.16	429.53	8.60	-55.56
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CCCCO1	REAL300012495052	1	58	0.0	-69.49	430.17	6.31	-63.18
C[C@H]1OCCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)[C@@H]1C(=O)[O-]	REAL300012495053	1	55	0.0	-71.61	400.55	7.41	-64.20
N#CCCC(NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495054	1	51	0.0	-67.59	400.29	6.73	-60.86
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495055	1	54	0.0	-49.77	418.27	9.13	-40.64
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300012495056	1	50	0.0	-61.99	370.70	7.24	-54.75
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300012495057	1	58	0.0	-67.37	432.74	8.11	-59.26
CC(C)C[C@H](NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495058	1	54	0.0	-69.16	418.74	5.27	-63.89
C=CC(C)C(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495060	1	52	0.0	-65.58	410.32	5.07	-60.51
COC1CCN(C(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)C(C(=O)[O-])C1	REAL300012495062	1	56	0.0	-79.71	422.76	6.08	-73.63
CC1CCN(C(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)C(C(=O)[O-])C1	REAL300012495064	1	55	0.0	-78.70	404.50	7.45	-71.25
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495065	1	51	0.0	-54.32	399.73	6.48	-47.84
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C1CCC1	REAL300012495066	1	55	0.0	-47.50	408.12	7.56	-39.94
CCCN(C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(COC)C(=O)[O-]	REAL300012495067	1	58	0.0	-66.49	437.54	6.07	-60.42
CCCN(C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(CC)C(=O)[O-]	REAL300012495068	1	57	0.0	-48.00	423.17	8.11	-39.89
CC(C)C(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495069	1	51	0.0	-67.72	392.42	4.24	-63.48
CC1CN(C2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495070	1	52	0.0	-78.40	390.36	7.09	-71.31
CC1CN(C2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495071	1	50	0.0	-75.28	389.93	6.83	-68.45
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=[NH+]2)CCO1	REAL300012495072	1	55	0.0	-70.88	409.79	6.12	-64.76
CC1CN(C2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495073	1	49	0.0	-75.21	379.02	5.82	-69.39
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=[NH+]2)CCO1	REAL300012495074	1	52	0.0	-70.91	395.29	5.02	-65.89
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCCC3)C=[NH+]2)CCO1	REAL300012495075	1	58	0.0	-71.70	415.42	6.79	-64.91
CC1CN(C2=CC=C(CNC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495076	1	55	0.0	-69.13	438.73	6.92	-62.21
CC1CN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C=[NH+]2)CCO1	REAL300012495077	1	55	0.0	-53.98	437.23	8.73	-45.25
CC1CN(C2=CC=C(CNC(=O)NCC(=O)[O-])C=[NH+]2)CCO1	REAL300012495078	1	42	0.0	-58.85	337.68	2.06	-56.79
CC1CN(C2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CCO1	REAL300012495079	1	52	0.0	-68.61	416.48	5.98	-62.63
CC1CN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CCO1	REAL300012495080	1	52	0.0	-68.06	416.24	6.06	-62.00
CCC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495081	1	48	0.0	-69.30	380.30	3.92	-65.38
CC(C)C(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495082	1	51	0.0	-67.72	392.42	4.24	-63.48
CC1CN(C2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=[NH+]2)CCO1	REAL300012495083	1	45	0.0	-66.75	356.42	4.75	-62.00
CC1CN(C2=CC=C(CNC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495084	1	55	0.0	-69.13	438.73	6.92	-62.21
CC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495085	1	45	0.0	-59.59	358.79	2.85	-56.74
CCC(C)C(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495086	1	54	0.0	-68.35	410.96	4.89	-63.46
CC1CN(C2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=[NH+]2)CCO1	REAL300012495087	1	45	0.0	-66.75	356.42	4.75	-62.00
CC1CN(C2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495088	1	52	0.0	-78.40	390.36	7.09	-71.31
CCCC(C)(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495089	1	54	0.0	-67.10	405.94	5.04	-62.06
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495090	1	51	0.0	-55.29	388.35	6.00	-49.29
CC1CN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=[NH+]2)CCO1	REAL300012495091	1	49	0.0	-67.58	383.17	6.11	-61.47
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495092	1	49	0.0	-54.05	391.04	6.29	-47.76
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495093	1	54	0.0	-53.74	414.14	6.79	-46.95
CC1CN(C2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495094	1	48	0.0	-58.03	371.05	3.29	-54.74
CC1CN(C2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=[NH+]2)CCO1	REAL300012495095	1	52	0.0	-68.64	393.91	5.03	-63.61
CC1CN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CS3)C=[NH+]2)CCO1	REAL300012495096	1	49	0.0	-66.21	407.86	5.14	-61.07
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=[NH+]2)CCO1	REAL300012495097	1	55	0.0	-70.88	409.79	6.12	-64.76
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495098	1	51	0.0	-55.29	388.35	6.00	-49.29
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495099	1	51	0.0	-54.32	399.73	6.48	-47.84
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495100	1	48	0.0	-66.88	378.23	5.73	-61.15
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495101	1	54	0.0	-70.13	411.54	4.87	-65.26
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=[NH+]2)CCO1	REAL300012495102	1	52	0.0	-70.91	395.29	5.02	-65.89
CCC(C)(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495103	1	51	0.0	-66.76	384.44	4.28	-62.48
CC1CN(C2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CCO1	REAL300012495104	1	55	0.0	-69.03	424.27	6.76	-62.27
C[C@H](NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495105	1	45	0.0	-59.83	358.45	2.89	-56.94
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495106	1	48	0.0	-66.88	378.23	5.73	-61.15
C[C@@H](NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495107	1	45	0.0	-59.60	358.79	2.85	-56.75
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=[NH+]2)CCO1	REAL300012495108	1	46	0.0	-73.06	364.61	4.11	-68.95
CC1CN(C2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495109	1	50	0.0	-75.05	381.51	4.53	-70.52
CC1CN(C2=CC=C(CNC(=O)N(C)C3(C(=O)[O-])CCCCC3)C=[NH+]2)CCO1	REAL300012495110	1	58	0.0	-72.61	419.05	7.43	-65.18
CC1CN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=[NH+]2)CCO1	REAL300012495111	1	49	0.0	-68.58	386.68	4.41	-64.17
CC1CN(C2=CC=C(CNC(=O)N(C)C(C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CCO1	REAL300012495112	1	55	0.0	-65.84	424.20	7.64	-58.20
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495113	1	52	0.0	-54.73	409.61	4.91	-49.82
CC1CN(C2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495114	1	49	0.0	-75.25	380.11	5.72	-69.53
CC1CN(C2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495115	1	52	0.0	-76.57	390.13	7.03	-69.54
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495116	1	48	0.0	-63.65	371.31	4.98	-58.67
CC1CN(C2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495117	1	49	0.0	-73.11	379.04	5.82	-67.29
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=[NH+]2)CCO1	REAL300012495118	1	49	0.0	-72.05	381.41	4.63	-67.42
C=CCC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495119	1	49	0.0	-66.59	393.34	4.43	-62.16
CC1CN(C2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495120	1	52	0.0	-75.27	396.14	6.38	-68.89
CC1CN(C2=CC=C(CNC(=O)N3CCCCCC3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495121	1	55	0.0	-76.08	403.37	7.38	-68.70
CC1CN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=[NH+]2)CCO1	REAL300012495122	1	49	0.0	-68.58	386.68	4.41	-64.17
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495123	1	48	0.0	-63.74	370.82	4.88	-58.86
CCCCC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495124	1	54	0.0	-69.18	423.30	5.46	-63.72
CC1CN(C2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495125	1	52	0.0	-75.29	396.18	6.35	-68.94
CC1CN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=[NH+]2)CCO1	REAL300012495126	1	55	0.0	-53.43	414.57	7.30	-46.13
CCCCCC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495128	1	57	0.0	-69.24	444.80	6.24	-63.00
CC1CN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCOCC3)C=[NH+]2)CCO1	REAL300012495129	1	56	0.0	-54.11	423.01	5.63	-48.48
CC1CN(C2=CC=C(CNC(=O)N(C)C3(C(=O)[O-])CCCC3)C=[NH+]2)CCO1	REAL300012495130	1	55	0.0	-75.78	405.73	6.73	-69.05
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C1CC1	REAL300012495131	1	52	0.0	-57.57	396.66	6.31	-51.26
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C1CC1	REAL300012495132	1	55	0.0	-53.02	418.12	7.60	-45.42
CC1=CC=C(C(NC(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)C(=O)[O-])C=C1	REAL300012495133	1	55	0.0	-69.73	437.61	6.74	-62.99
CC1CN(C2=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495134	1	48	0.0	-62.03	396.24	4.60	-57.43
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCSCC3)C=[NH+]2)CCO1	REAL300012495135	1	53	0.0	-67.25	407.51	5.81	-61.44
COCC(C)(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495136	1	52	0.0	-71.30	402.68	3.57	-67.73
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495137	1	55	0.0	-65.19	422.68	5.23	-59.96
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495138	1	54	0.0	-53.74	414.14	6.79	-46.95
CC1CN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=[NH+]2)CCO1	REAL300012495139	1	49	0.0	-67.58	383.17	6.11	-61.47
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=[NH+]2)CCO1	REAL300012495140	1	50	0.0	-68.38	385.93	2.41	-65.97
CC1CN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCCC3)C=[NH+]2)CCO1	REAL300012495141	1	58	0.0	-68.47	433.37	6.19	-62.28
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOCC3)C=[NH+]2)CCO1	REAL300012495142	1	53	0.0	-70.35	401.24	3.62	-66.73
C=CCCC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495143	1	52	0.0	-68.16	413.78	5.25	-62.91
CC1CN(C2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495144	1	45	0.0	-56.77	362.09	2.90	-53.87
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495145	1	48	0.0	-63.74	370.82	4.88	-58.86
CCC(CC)(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495146	1	54	0.0	-70.01	401.11	5.17	-64.84
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495147	1	54	0.0	-53.57	408.96	7.06	-46.51
CCC(COC)(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495148	1	55	0.0	-74.73	419.36	4.47	-70.26
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495149	1	58	0.0	-65.24	442.96	5.98	-59.26
CC1CN(C2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495150	1	52	0.0	-66.88	412.15	5.41	-61.47
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495152	1	57	0.0	-67.29	429.48	7.49	-59.80
CC1CN(C2=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495153	1	48	0.0	-69.05	392.65	4.20	-64.85
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495154	1	58	0.0	-76.02	430.90	8.33	-67.69
CCCN(C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012495155	1	54	0.0	-64.32	409.39	6.45	-57.87
CC1CN(C2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495156	1	48	0.0	-67.73	386.06	4.06	-63.67
CC1CN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCOCC3)C=[NH+]2)CCO1	REAL300012495157	1	56	0.0	-54.11	423.01	5.63	-48.48
CC1CN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCCC3)C=[NH+]2)CCO1	REAL300012495158	1	58	0.0	-53.80	431.97	8.01	-45.79
C[C@H]1CC[C@@](NC(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)(C(=O)[O-])CC1	REAL300012495159	1	58	0.0	-71.02	423.87	6.72	-64.30
CC1CN(C2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495160	1	51	0.0	-64.05	391.03	4.42	-59.63
CC1CN(C2=CC=C(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495161	1	49	0.0	-68.86	393.07	5.88	-62.98
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495162	1	48	0.0	-65.08	370.79	4.87	-60.21
CC1CN(C2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=[NH+]2)CCO1	REAL300012495163	1	50	0.0	-80.19	386.29	6.45	-73.74
COC1CN(C(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)C(C)(C(=O)[O-])C1	REAL300012495164	1	56	0.0	-70.69	428.97	5.41	-65.28
CC1CN(C2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=[NH+]2)CCO1	REAL300012495165	1	54	0.0	-69.05	409.48	5.03	-64.02
C=C(Cl)CC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495166	1	49	0.0	-63.44	408.78	5.03	-58.41
C=C(C)CC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495167	1	52	0.0	-68.07	413.45	5.20	-62.87
CC1CN(C2=CC=C(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)C=[NH+]2)CCO1	REAL300012495168	1	53	0.0	-79.87	398.83	7.29	-72.58
CC1CN(C2=CC=C(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495169	1	49	0.0	-67.07	392.33	6.21	-60.86
CC1CN(C2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495170	1	49	0.0	-71.42	386.62	5.81	-65.61
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)C1	REAL300012495171	1	50	0.0	-74.97	393.52	6.12	-68.85
CC(C)C[C@H](NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495172	1	54	0.0	-69.16	418.74	5.27	-63.89
CC1CN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CCO1	REAL300012495174	1	52	0.0	-68.06	416.24	6.06	-62.00
CC1CN(C2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495175	1	52	0.0	-66.88	412.15	5.41	-61.47
CC(C)CCCC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495176	1	60	0.0	-68.60	461.53	6.76	-61.84
CSCC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495178	1	49	0.0	-64.41	403.76	4.33	-60.08
CC[C@H](NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495180	1	48	0.0	-68.52	379.47	3.92	-64.60
CCC(C)CC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495181	1	57	0.0	-68.88	436.40	5.88	-63.00
C=CCCCC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495182	1	55	0.0	-68.58	436.11	6.02	-62.56
CC1CN(C2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495183	1	50	0.0	-75.28	389.93	6.83	-68.45
CC1CN(C2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CCO1	REAL300012495184	1	55	0.0	-69.03	424.27	6.76	-62.27
CC1CN(C2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495185	1	49	0.0	-75.25	380.11	5.72	-69.53
CCCC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495186	1	51	0.0	-69.17	401.80	4.68	-64.49
CC(C)[C@@H](NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495187	1	51	0.0	-67.73	397.34	4.48	-63.25
CC1CN(C2=CC=C(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C=[NH+]2)CCO1	REAL300012495188	1	53	0.0	-80.49	400.35	7.39	-73.10
CCN(C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(C)(C)C(=O)[O-]	REAL300012495189	1	54	0.0	-70.14	404.97	6.67	-63.47
CCCN(C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012495190	1	54	0.0	-64.32	409.39	6.45	-57.87
CC1CN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=[NH+]2)CCO1	REAL300012495191	1	48	0.0	-63.09	392.85	6.23	-56.86
CC1CN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=[NH+]2)CCO1	REAL300012495192	1	48	0.0	-63.09	392.85	6.23	-56.86
CC1CN(C2=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495193	1	51	0.0	-70.20	385.53	5.79	-64.41
CC1CN(C2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495194	1	49	0.0	-73.11	379.04	5.82	-67.29
CC1CN(C2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495195	1	50	0.0	-75.69	391.08	2.13	-73.56
CCC[C@@H](NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495196	1	51	0.0	-67.41	401.80	4.67	-62.74
CC1CN(C2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CCO1	REAL300012495197	1	52	0.0	-68.61	416.48	5.98	-62.63
C=CCCC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495198	1	52	0.0	-68.16	413.78	5.25	-62.91
CC1CN(C2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495200	1	52	0.0	-73.18	396.16	6.37	-66.81
CC(C)[C@H](NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495201	1	51	0.0	-67.85	394.48	4.45	-63.40
CC1CN(C2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C=[NH+]2)CCO1	REAL300012495202	1	52	0.0	-70.18	416.44	5.97	-64.21
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495203	1	48	0.0	-65.08	370.79	4.87	-60.21
CCC[C@H](NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495204	1	51	0.0	-69.22	401.78	4.67	-64.55
CCN(C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012495205	1	51	0.0	-66.77	389.27	5.83	-60.94
CC1CN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=[NH+]2)CCO1	REAL300012495206	1	55	0.0	-53.43	414.57	7.30	-46.13
CC(CN(C)C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495207	1	51	0.0	-73.48	391.78	5.65	-67.83
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495208	1	54	0.0	-70.13	411.54	4.87	-65.26
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495209	1	51	0.0	-66.22	390.69	6.06	-60.16
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)C=[NH+]2)CCO1	REAL300012495210	1	53	0.0	-72.19	413.67	1.91	-70.28
CC1CCC(NC(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)(C(=O)[O-])C1	REAL300012495211	1	55	0.0	-71.14	416.35	5.65	-65.49
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3(C)C)C=[NH+]2)CCO1	REAL300012495212	1	58	0.0	-70.99	425.84	6.37	-64.62
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=[NH+]2)CCO1	REAL300012495214	1	55	0.0	-72.72	417.85	6.33	-66.39
CC1CN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=[NH+]2)CCO1	REAL300012495215	1	52	0.0	-68.83	401.76	5.25	-63.58
CC1CN(C2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495216	1	50	0.0	-79.04	389.75	2.30	-76.74
CC1CN(C2=CC=C(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=[NH+]2)CCO1	REAL300012495218	1	53	0.0	-79.56	401.02	6.95	-72.61
CC1CN(C2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)C=[NH+]2)CCO1	REAL300012495219	1	51	0.0	-75.77	393.22	4.72	-71.05
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)C1	REAL300012495220	1	55	0.0	-77.82	411.29	7.69	-70.13
CC1CN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=[NH+]2)CCO1	REAL300012495221	1	52	0.0	-67.51	399.97	4.87	-62.64
CC1CN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCCC3)C=[NH+]2)CCO1	REAL300012495222	1	58	0.0	-68.47	433.37	6.19	-62.28
CC1CN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=[NH+]2)CCO1	REAL300012495223	1	52	0.0	-67.51	399.97	4.87	-62.64
CC1CCN(C(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)C1C(=O)[O-]	REAL300012495224	1	52	0.0	-74.16	395.21	5.98	-68.18
C=CCC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495225	1	49	0.0	-66.59	393.34	4.43	-62.16
CC1CN(C2=CC=C(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495226	1	53	0.0	-45.73	401.93	6.85	-38.88
COC1CC(NC(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)(C(=O)[O-])C1	REAL300012495227	1	53	0.0	-74.59	414.87	3.59	-71.00
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=[NH+]2)CCO1	REAL300012495228	1	49	0.0	-70.67	389.86	4.65	-66.02
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)(C(=O)[O-])C1	REAL300012495229	1	53	0.0	-68.04	412.89	3.49	-64.55
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495230	1	55	0.0	-73.86	411.93	7.52	-66.34
CC1CN(C2=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495231	1	48	0.0	-62.03	396.24	4.60	-57.43
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=[NH+]2)CCO1	REAL300012495233	1	47	0.0	-66.15	372.22	1.66	-64.49
CC(C)C(C)(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495234	1	54	0.0	-69.44	399.36	4.91	-64.53
CC1CN(C2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495235	1	50	0.0	-78.85	386.61	7.23	-71.62
CC1CN(C2=CC=C(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495236	1	53	0.0	-75.10	402.30	6.58	-68.52
C=CCSCC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495237	1	53	0.0	-64.97	438.28	5.70	-59.27
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495238	1	54	0.0	-67.72	405.34	6.78	-60.94
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C(F)F)C3)C=[NH+]2)CCO1	REAL300012495240	1	52	0.0	-73.62	413.65	5.42	-68.20
CC1CN(C2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495242	1	49	0.0	-71.42	386.62	5.81	-65.61
CC1CN(C2=CC=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495243	1	51	0.0	-49.50	395.13	6.63	-42.87
CC1CN(C2=CC=C(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495244	1	55	0.0	-76.28	411.37	6.77	-69.51
CC(C)CCC(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495245	1	57	0.0	-68.73	440.03	5.98	-62.75
CC1CN(C2=CC=C(CNC(=O)N3CC4(CCC4)CC3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495246	1	56	0.0	-45.37	425.89	7.32	-38.05
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)C1	REAL300012495248	1	53	0.0	-73.69	423.29	6.78	-66.91
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC4CC43)C=[NH+]2)CCO1	REAL300012495249	1	56	0.0	-75.14	415.67	6.78	-68.36
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC4CC43)C=[NH+]2)CCO1	REAL300012495250	1	53	0.0	-74.73	402.77	5.85	-68.88
CC1CN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C=[NH+]2)CCO1	REAL300012495251	1	56	0.0	-70.80	424.03	6.24	-64.56
CC1CN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCC3)C=[NH+]2)CCO1	REAL300012495252	1	55	0.0	-67.98	422.06	5.63	-62.35
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300012495254	1	52	0.0	-74.31	403.32	5.65	-68.66
CC1CN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C=[NH+]2)CCO1	REAL300012495255	1	55	0.0	-53.98	437.23	8.73	-45.25
CC1CN(C2=CC=C(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495256	1	55	0.0	-45.47	418.86	6.62	-38.85
CC1CN(C2=CC=C(CNC(=O)N3CCC(F)(F)CC3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495257	1	52	0.0	-75.12	401.22	6.93	-68.19
CC1CN(C2=CC=C(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495258	1	49	0.0	-79.12	390.72	5.96	-73.16
CC1CN(C2=CC=C(CNC(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495259	1	52	0.0	-68.38	408.25	6.49	-61.89
CC1CN(C2=CC=C(CNC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495260	1	56	0.0	-77.54	418.53	7.22	-70.32
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495262	1	54	0.0	-66.83	412.22	6.68	-60.15
CC1CN(C2=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495264	1	57	0.0	-67.46	430.90	6.36	-61.10
CC1CN(C2=CC=C(CNC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])C=[NH+]2)CCO1	REAL300012495266	1	53	0.0	-76.58	401.76	5.40	-71.18
CC1CN(C2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=[NH+]2)CCO1	REAL300012495267	1	49	0.0	-70.63	400.33	4.42	-66.21
CC1CN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CO3)C=[NH+]2)CCO1	REAL300012495268	1	52	0.0	-55.01	418.90	6.87	-48.14
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300012495269	1	48	0.0	-63.65	371.31	4.98	-58.67
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)C1	REAL300012495270	1	56	0.0	-70.35	433.64	6.08	-64.27
CC(C)C[C@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495271	1	53	0.0	-65.32	406.74	6.96	-58.36
C=CCOCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495272	1	52	0.0	-68.05	414.65	5.44	-62.61
C=CC(C)C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495273	1	51	0.0	-64.23	399.56	6.80	-57.43
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCOCC1	REAL300012495274	1	55	0.0	-66.12	415.14	5.66	-60.46
COC1CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C(C(=O)[O-])C1	REAL300012495275	1	55	0.0	-77.30	410.51	7.83	-69.47
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCCOC1	REAL300012495276	1	55	0.0	-65.05	412.17	5.72	-59.33
CC1CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C(C(=O)[O-])C1	REAL300012495277	1	54	0.0	-75.15	392.04	9.15	-66.00
CC1=CC(C(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C(=O)[O-])=CC(C)=C1	REAL300012495278	1	57	0.0	-66.54	446.99	9.29	-57.25
CC1=CC=C(C(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C(=O)[O-])C=C1C	REAL300012495279	1	57	0.0	-67.02	442.63	8.93	-58.09
CC1=CC=CC(C(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C(=O)[O-])=C1C	REAL300012495280	1	57	0.0	-66.33	434.42	8.91	-57.42
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495281	1	50	0.0	-51.53	387.46	8.23	-43.30
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCC1	REAL300012495282	1	54	0.0	-39.22	393.19	9.47	-29.75
CCCN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(COC)C(=O)[O-]	REAL300012495283	1	57	0.0	-68.96	430.32	9.15	-59.81
CCCN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(CC)C(=O)[O-]	REAL300012495284	1	56	0.0	-62.45	414.24	9.20	-53.25
CC(C)C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495285	1	50	0.0	-65.25	382.21	6.19	-59.06
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495286	1	51	0.0	-75.40	378.58	8.98	-66.42
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495287	1	49	0.0	-72.86	377.93	8.75	-64.11
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCCCC1	REAL300012495288	1	54	0.0	-70.59	397.79	8.02	-62.57
O=C([O-])C1CCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495289	1	48	0.0	-70.85	367.02	7.74	-63.11
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCCC1	REAL300012495290	1	51	0.0	-68.61	383.03	6.77	-61.84
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCCCCC1	REAL300012495291	1	57	0.0	-71.61	403.43	8.70	-62.91
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495292	1	54	0.0	-66.79	426.46	8.67	-58.12
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495293	1	54	0.0	-48.45	425.18	10.65	-37.80
O=C([O-])[C@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012495294	1	51	0.0	-67.32	404.22	7.98	-59.34
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012495295	1	51	0.0	-66.21	404.21	7.72	-58.49
CCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495296	1	47	0.0	-64.95	368.03	5.65	-59.30
CC(C)C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495297	1	50	0.0	-65.25	382.21	6.19	-59.06
CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495298	1	44	0.0	-64.29	344.15	6.49	-57.80
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495299	1	54	0.0	-66.79	426.46	8.67	-58.12
CC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495300	1	44	0.0	-56.93	346.51	4.60	-52.33
CCC(C)C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495301	1	53	0.0	-67.84	403.01	6.86	-60.98
CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495302	1	44	0.0	-64.29	344.15	6.49	-57.80
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495303	1	51	0.0	-75.40	378.58	8.98	-66.42
CCCC(C)(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495304	1	53	0.0	-64.72	393.66	6.79	-57.93
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495305	1	50	0.0	-52.47	376.09	7.75	-44.72
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CC1	REAL300012495306	1	48	0.0	-65.24	370.90	7.86	-57.38
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495307	1	48	0.0	-51.21	378.77	8.03	-43.18
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495308	1	53	0.0	-51.46	402.12	8.75	-42.71
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495309	1	55	0.0	-75.32	415.73	10.72	-64.60
CC(C)(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495310	1	47	0.0	-55.26	358.78	5.03	-50.23
CC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)(C(=O)[O-])C1CC1	REAL300012495311	1	51	0.0	-68.26	381.92	6.95	-61.31
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1=CC=CS1	REAL300012495312	1	48	0.0	-65.71	395.79	6.81	-58.90
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCCCC1	REAL300012495313	1	54	0.0	-70.59	397.79	8.02	-62.57
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495314	1	50	0.0	-52.47	376.09	7.75	-44.72
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495315	1	50	0.0	-51.53	387.46	8.23	-43.30
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495316	1	47	0.0	-64.49	365.96	7.47	-57.02
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495317	1	53	0.0	-64.45	397.61	6.59	-57.86
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCCC1	REAL300012495318	1	51	0.0	-68.61	383.03	6.77	-61.84
CCC(C)(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495319	1	50	0.0	-64.44	372.17	6.03	-58.41
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC2=CC=CC=C2C1	REAL300012495320	1	55	0.0	-68.98	422.39	9.07	-59.91
CC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012495321	1	54	0.0	-68.23	412.24	8.68	-59.55
C[C@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495322	1	44	0.0	-56.81	346.20	4.63	-52.18
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495323	1	47	0.0	-64.49	365.96	7.47	-57.02
CCCCCCC(C)(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495324	1	62	0.0	-64.91	458.16	9.12	-55.79
CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012495325	1	57	0.0	-64.52	435.03	10.60	-53.92
C[C@@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495326	1	44	0.0	-57.38	346.20	4.63	-52.75
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1	REAL300012495327	1	45	0.0	-71.94	352.61	6.02	-65.92
O=C([O-])C1COCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495328	1	49	0.0	-72.54	369.54	6.35	-66.19
CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1(C(=O)[O-])CCCCC1	REAL300012495329	1	57	0.0	-70.23	406.81	9.18	-61.05
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CC1	REAL300012495330	1	48	0.0	-67.24	372.51	6.29	-60.95
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495331	1	57	0.0	-52.66	447.36	11.25	-41.41
CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012495332	1	54	0.0	-63.57	411.60	9.29	-54.28
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495333	1	51	0.0	-51.91	397.34	6.66	-45.25
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCC2=CC=CC=C21	REAL300012495334	1	55	0.0	-70.63	418.90	8.83	-61.80
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495335	1	48	0.0	-71.35	367.56	7.25	-64.10
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495336	1	51	0.0	-74.22	377.58	8.56	-65.66
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495337	1	47	0.0	-62.46	359.30	6.89	-55.57
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495338	1	48	0.0	-72.71	366.78	7.57	-65.14
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCC1	REAL300012495339	1	48	0.0	-69.73	369.16	6.36	-63.37
C=CCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495340	1	48	0.0	-65.36	380.51	6.11	-59.25
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495341	1	51	0.0	-70.49	383.87	8.12	-62.37
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495342	1	54	0.0	-72.42	391.37	9.30	-63.12
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CC1	REAL300012495343	1	48	0.0	-67.24	372.51	6.29	-60.95
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495344	1	47	0.0	-61.15	359.06	6.73	-54.42
CCCCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495345	1	53	0.0	-64.38	410.79	7.26	-57.12
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495346	1	57	0.0	-52.66	447.36	11.25	-41.41
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495347	1	51	0.0	-70.66	384.18	8.27	-62.39
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCCC1	REAL300012495348	1	54	0.0	-50.68	402.29	9.04	-41.64
COCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495349	1	48	0.0	-67.49	379.40	3.88	-63.61
CCCCCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495350	1	56	0.0	-64.38	432.29	8.04	-56.34
CCC1CCC(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)(C(=O)[O-])CC1	REAL300012495351	1	60	0.0	-68.50	436.61	9.12	-59.38
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCOCC1	REAL300012495352	1	55	0.0	-51.23	410.74	7.38	-43.85
CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1(C(=O)[O-])CCCC1	REAL300012495353	1	54	0.0	-71.05	393.73	8.64	-62.41
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CC1	REAL300012495354	1	51	0.0	-63.20	377.07	7.92	-55.28
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CC1	REAL300012495355	1	54	0.0	-50.47	405.88	9.34	-41.13
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1=CC=CC=C1F	REAL300012495356	1	51	0.0	-72.01	408.86	7.98	-64.03
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495357	1	55	0.0	-51.37	419.11	10.15	-41.22
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495358	1	60	0.0	-65.12	448.37	9.09	-56.03
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495359	1	57	0.0	-49.49	437.14	11.09	-38.40
CC1=CC=C(C(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C(=O)[O-])C=C1	REAL300012495360	1	54	0.0	-65.67	425.61	8.66	-57.01
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495361	1	47	0.0	-60.04	383.13	6.37	-53.67
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCSCC1	REAL300012495362	1	52	0.0	-64.87	395.47	7.73	-57.14
COCC(C)(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495363	1	51	0.0	-68.95	390.41	5.31	-63.64
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495364	1	54	0.0	-64.14	410.17	7.02	-57.12
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495365	1	53	0.0	-51.46	402.12	8.75	-42.71
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CC1	REAL300012495366	1	48	0.0	-65.24	370.90	7.86	-57.38
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495367	1	50	0.0	-52.04	405.59	8.61	-43.43
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCOC1	REAL300012495368	1	49	0.0	-65.90	373.68	4.15	-61.75
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCCCC1	REAL300012495369	1	57	0.0	-67.05	421.77	7.86	-59.19
CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(COC1CCC1)C(=O)[O-]	REAL300012495370	1	58	0.0	-65.34	436.77	8.44	-56.90
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCOCC1	REAL300012495371	1	52	0.0	-70.05	389.22	5.53	-64.52
C=CCCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495372	1	51	0.0	-64.82	402.34	6.98	-57.84
O=C([O-])C(CF)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495373	1	44	0.0	-54.48	349.82	4.64	-49.84
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495374	1	57	0.0	-44.92	434.28	11.49	-33.43
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495375	1	47	0.0	-61.15	359.06	6.73	-54.42
CCC(CC)(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495376	1	53	0.0	-65.67	388.56	6.92	-58.75
COC1=CC=C(C(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C(=O)[O-])C=C1	REAL300012495377	1	55	0.0	-65.47	433.30	7.22	-58.25
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495378	1	53	0.0	-50.82	396.68	8.80	-42.02
CCC(COC)(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495379	1	54	0.0	-72.26	407.09	6.22	-66.04
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495380	1	57	0.0	-64.14	430.94	7.89	-56.25
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495381	1	51	0.0	-66.36	400.16	7.32	-59.04
COCCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495382	1	51	0.0	-65.18	401.70	4.71	-60.47
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495383	1	56	0.0	-62.85	418.76	9.21	-53.64
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495384	1	47	0.0	-64.36	380.14	6.00	-58.36
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495385	1	57	0.0	-75.20	418.63	10.08	-65.12
CCCN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012495386	1	53	0.0	-61.84	397.12	8.19	-53.65
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495387	1	57	0.0	-44.13	436.94	11.31	-32.82
CCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012495388	1	57	0.0	-67.50	428.96	9.40	-58.10
O=C([O-])C(CCF)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495389	1	47	0.0	-63.43	374.38	5.86	-57.57
COC1(CC(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C(=O)[O-])CCC1	REAL300012495390	1	58	0.0	-67.20	439.77	6.67	-60.53
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCOCC1	REAL300012495391	1	55	0.0	-51.23	410.74	7.38	-43.85
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCCCC1	REAL300012495392	1	57	0.0	-51.01	419.70	9.75	-41.26
C[C@H]1CC[C@@](NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)(C(=O)[O-])CC1	REAL300012495393	1	57	0.0	-68.75	411.35	8.24	-60.51
COC1=CC=CC(C(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C(=O)[O-])=C1	REAL300012495394	1	55	0.0	-69.37	433.06	7.04	-62.33
CC(CCF)(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495395	1	50	0.0	-61.63	378.76	6.17	-55.46
O=C([O-])C1C2=C(CCN1C(=O)NCC1=CC=C(N3CCCCC3)[NH+]=C1)OC=C2	REAL300012495396	1	52	0.0	-51.97	402.09	8.51	-43.46
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495397	1	48	0.0	-65.24	380.55	7.41	-57.83
COC1=CC=CC([C@H](NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C(=O)[O-])=C1	REAL300012495398	1	55	0.0	-67.95	433.07	7.04	-60.91
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495399	1	47	0.0	-61.05	358.79	6.78	-54.27
CC1(C)CCCC(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012495400	1	60	0.0	-72.08	425.70	8.89	-63.19
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495401	1	49	0.0	-77.87	374.34	8.37	-69.50
COC1CN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C(C)(C(=O)[O-])C1	REAL300012495402	1	55	0.0	-69.44	416.70	7.15	-62.29
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495403	1	58	0.0	-63.62	435.20	7.40	-56.22
CC(C)(C)[C@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495404	1	53	0.0	-66.07	398.83	6.76	-59.31
C=C(Cl)CC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495405	1	48	0.0	-67.44	397.30	6.70	-60.74
C=C(C)CC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495406	1	51	0.0	-65.94	401.05	6.87	-59.07
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495407	1	52	0.0	-77.89	386.84	9.21	-68.68
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495408	1	48	0.0	-66.29	379.77	7.74	-58.55
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495409	1	48	0.0	-68.56	373.54	7.83	-60.73
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300012495410	1	49	0.0	-70.93	380.99	7.62	-63.31
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495411	1	58	0.0	-68.60	439.74	6.63	-61.97
CC(C)C[C@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495412	1	53	0.0	-65.32	406.74	6.96	-58.36
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCOCC1	REAL300012495413	1	55	0.0	-66.12	415.14	5.66	-60.46
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012495414	1	51	0.0	-66.21	404.21	7.72	-58.49
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495415	1	51	0.0	-66.36	400.16	7.32	-59.04
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495416	1	50	0.0	-62.87	412.41	6.01	-56.86
CC(C)CCCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495417	1	59	0.0	-64.35	449.85	8.55	-55.80
O=C([O-])C(CC1CCCO1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495418	1	55	0.0	-69.36	424.22	6.04	-63.32
CSCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495419	1	48	0.0	-62.91	390.83	6.10	-56.81
COC[C@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495420	1	48	0.0	-65.51	379.65	4.04	-61.47
CC[C@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495421	1	47	0.0	-64.20	367.20	5.67	-58.53
CCC(C)CC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495422	1	56	0.0	-65.09	424.85	7.67	-57.42
C=CCCCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495423	1	54	0.0	-65.06	423.84	7.76	-57.30
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495424	1	49	0.0	-72.86	377.93	8.75	-64.11
CC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012495425	1	54	0.0	-68.23	412.24	8.68	-59.55
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495426	1	48	0.0	-71.35	367.56	7.25	-64.10
CCCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495427	1	50	0.0	-64.94	389.53	6.42	-58.52
CC(C)[C@@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495428	1	50	0.0	-67.02	385.07	6.24	-60.78
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495429	1	52	0.0	-78.04	388.35	9.31	-68.73
CCN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(C)(C)C(=O)[O-]	REAL300012495430	1	53	0.0	-67.83	392.70	8.41	-59.42
CCCN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012495431	1	53	0.0	-61.84	397.12	8.19	-53.65
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495432	1	47	0.0	-60.59	380.57	7.97	-52.62
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495433	1	47	0.0	-60.59	380.57	7.97	-52.62
CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(C)(C)C(=O)[O-]	REAL300012495434	1	50	0.0	-67.93	373.26	7.54	-60.39
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495435	1	48	0.0	-72.71	366.78	7.57	-65.14
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495436	1	49	0.0	-75.50	379.04	4.07	-71.43
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495437	1	55	0.0	-49.28	421.35	10.61	-38.67
CCC[C@@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495438	1	50	0.0	-66.77	389.77	6.59	-60.18
O=C([O-])[C@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012495439	1	51	0.0	-67.32	404.22	7.98	-59.34
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495440	1	56	0.0	-68.23	443.49	7.69	-60.54
C=CCCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495441	1	51	0.0	-64.82	402.34	6.98	-57.84
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495442	1	50	0.0	-67.75	412.74	5.73	-62.02
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495443	1	51	0.0	-82.61	397.53	5.30	-77.31
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1=O	REAL300012495444	1	52	0.0	-66.83	394.83	6.85	-59.98
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495445	1	51	0.0	-70.40	384.13	8.29	-62.11
CC(C)[C@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495446	1	50	0.0	-65.24	382.21	6.19	-59.05
O=C([O-])[C@@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012495447	1	51	0.0	-65.42	403.56	7.75	-57.67
CC(CN1C=CC=N1)(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495448	1	54	0.0	-69.80	413.88	7.23	-62.57
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495449	1	47	0.0	-61.05	358.79	6.78	-54.27
CCC[C@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495450	1	50	0.0	-64.97	389.53	6.42	-58.55
CCN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012495451	1	50	0.0	-61.63	375.23	7.40	-54.23
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCCC1	REAL300012495452	1	54	0.0	-50.68	402.29	9.04	-41.64
CC(CN(C)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495453	1	50	0.0	-70.87	379.50	7.39	-63.48
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495454	1	53	0.0	-64.45	397.61	6.59	-57.86
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495455	1	50	0.0	-62.06	378.42	7.81	-54.25
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC(CO)C1	REAL300012495456	1	52	0.0	-69.81	401.42	3.64	-66.17
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495457	1	60	0.0	-66.05	450.97	7.16	-58.89
CC1CCC(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012495458	1	54	0.0	-70.82	404.35	7.56	-63.26
CC1(C)CCCC1(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495459	1	57	0.0	-68.80	413.81	8.30	-60.50
COCCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495460	1	51	0.0	-65.18	401.70	4.71	-60.47
CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012495461	1	57	0.0	-64.52	435.03	10.60	-53.92
CC1(C)CC(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012495462	1	54	0.0	-70.35	405.59	8.08	-62.27
CC1(C(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C(=O)[O-])CC1	REAL300012495463	1	51	0.0	-66.32	389.49	6.99	-59.33
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495464	1	60	0.0	-68.72	452.37	6.89	-61.83
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495465	1	49	0.0	-79.17	377.74	4.23	-74.94
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCOC1	REAL300012495466	1	52	0.0	-65.41	395.45	4.84	-60.57
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495467	1	52	0.0	-77.05	388.75	8.70	-68.35
O=C([O-])C12COC(CN1C(=O)NCC1=CC=C(N3CCCCC3)[NH+]=C1)C2	REAL300012495468	1	50	0.0	-73.46	381.20	6.63	-66.83
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300012495469	1	54	0.0	-75.45	399.04	9.45	-66.00
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495470	1	57	0.0	-64.69	441.55	9.02	-55.67
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495471	1	58	0.0	-64.77	440.75	9.02	-55.75
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCC1	REAL300012495472	1	51	0.0	-65.06	387.70	6.61	-58.45
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCCCC1	REAL300012495473	1	57	0.0	-67.05	421.77	7.86	-59.19
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCC1	REAL300012495474	1	51	0.0	-65.06	387.70	6.61	-58.45
CC1CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1C(=O)[O-]	REAL300012495475	1	51	0.0	-71.81	382.97	7.73	-64.08
C=CCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495476	1	48	0.0	-65.36	380.51	6.11	-59.25
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495477	1	58	0.0	-63.93	440.03	7.45	-56.48
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495478	1	58	0.0	-44.84	414.64	9.56	-35.28
CC1(C)CC(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)(C(=O)[O-])CCO1	REAL300012495479	1	58	0.0	-71.20	418.32	6.84	-64.36
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495480	1	52	0.0	-43.52	389.67	8.60	-34.92
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495481	1	58	0.0	-64.77	440.75	9.02	-55.75
COC1CC(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012495482	1	52	0.0	-74.00	402.77	5.50	-68.50
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC(F)(F)C1	REAL300012495483	1	48	0.0	-68.35	377.59	6.39	-61.96
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012495484	1	52	0.0	-68.43	401.12	5.63	-62.80
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495485	1	54	0.0	-74.93	397.18	9.34	-65.59
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495486	1	47	0.0	-60.04	383.13	6.37	-53.67
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495487	1	55	0.0	-68.23	422.89	5.71	-62.52
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)COC1	REAL300012495488	1	46	0.0	-65.10	360.23	3.58	-61.52
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495489	1	51	0.0	-68.04	418.33	7.72	-60.32
CC(C)C(C)(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495490	1	53	0.0	-65.54	388.90	6.72	-58.82
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495491	1	49	0.0	-76.11	374.12	8.76	-67.35
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495492	1	52	0.0	-75.20	390.23	8.33	-66.87
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495493	1	57	0.0	-44.13	436.94	11.31	-32.82
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495494	1	60	0.0	-65.12	448.37	9.09	-56.03
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495495	1	57	0.0	-65.37	448.61	9.46	-55.91
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495496	1	57	0.0	-67.50	449.44	9.67	-57.83
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CC2CCC1C2	REAL300012495497	1	58	0.0	-68.79	430.07	8.69	-60.10
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495498	1	60	0.0	-67.40	448.41	8.85	-58.55
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495499	1	60	0.0	-65.07	448.41	9.10	-55.97
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495500	1	58	0.0	-43.09	428.56	9.54	-33.55
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495501	1	58	0.0	-75.22	426.79	9.65	-65.57
C=CCSCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495502	1	52	0.0	-62.89	425.10	7.55	-55.34
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495503	1	53	0.0	-62.25	392.74	8.47	-53.78
COC1(C(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C(=O)[O-])CCC1	REAL300012495504	1	55	0.0	-62.04	414.97	5.29	-56.75
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC(C(F)F)C1	REAL300012495505	1	51	0.0	-71.29	401.39	7.16	-64.13
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495507	1	48	0.0	-68.56	373.54	7.83	-60.73
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495508	1	50	0.0	-43.89	382.59	8.50	-35.39
CC1(C)CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1C(=O)[O-]	REAL300012495509	1	54	0.0	-72.82	402.93	8.21	-64.61
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495510	1	58	0.0	-75.21	423.57	10.40	-64.81
CC(C)CCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495511	1	56	0.0	-64.60	428.35	7.78	-56.82
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495512	1	55	0.0	-43.67	414.89	9.16	-34.51
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495513	1	55	0.0	-68.23	422.89	5.71	-62.52
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300012495514	1	52	0.0	-71.13	411.16	8.54	-62.59
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCCC2CC21	REAL300012495515	1	55	0.0	-70.16	406.35	8.42	-61.74
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCC2CC21	REAL300012495516	1	52	0.0	-72.20	390.52	7.60	-64.60
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC2(CCC2)C1	REAL300012495517	1	55	0.0	-68.53	411.78	7.99	-60.54
CN(C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012495518	1	57	0.0	-66.12	435.03	10.60	-55.52
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCCC1	REAL300012495519	1	54	0.0	-67.52	410.06	7.55	-59.97
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495520	1	51	0.0	-66.05	398.03	4.89	-61.16
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495521	1	51	0.0	-71.99	391.05	7.39	-64.60
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495522	1	54	0.0	-48.45	425.18	10.65	-37.80
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300012495523	1	54	0.0	-47.06	406.86	8.53	-38.53
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495524	1	51	0.0	-72.81	389.21	8.85	-63.96
O=C([O-])C1N(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCC1(F)F	REAL300012495525	1	48	0.0	-76.53	378.46	7.70	-68.83
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495526	1	51	0.0	-66.43	417.30	7.84	-58.59
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495527	1	51	0.0	-65.85	395.98	8.24	-57.61
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495528	1	51	0.0	-66.43	417.30	7.84	-58.59
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495529	1	55	0.0	-73.57	405.73	8.91	-64.66
COCCCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495530	1	54	0.0	-64.48	423.20	5.49	-58.99
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495531	1	53	0.0	-61.73	401.00	8.57	-53.16
CCOCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495532	1	51	0.0	-68.37	401.74	4.86	-63.51
CC(C)(C)CC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495533	1	56	0.0	-67.46	418.89	8.04	-59.42
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CCCCO1	REAL300012495534	1	55	0.0	-69.93	418.52	5.79	-64.14
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC2=CC=CC=C2C1	REAL300012495535	1	55	0.0	-68.98	422.39	9.07	-59.91
C[C@H]1OCCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)[C@@H]1C(=O)[O-]	REAL300012495536	1	52	0.0	-74.20	389.49	7.15	-67.05
N#CCCC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300012495537	1	48	0.0	-66.60	388.88	6.15	-60.45
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495538	1	51	0.0	-52.26	406.62	8.62	-43.64
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300012495539	1	47	0.0	-62.46	359.30	6.89	-55.57
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300012495540	1	55	0.0	-68.15	421.35	7.78	-60.37
CC(C)C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495541	0	54	0.0	-73.17	392.17	8.01	-65.16
C=CCOCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495542	0	53	0.0	-73.99	400.04	6.45	-67.54
C=CC(C)C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495543	0	52	0.0	-72.10	378.23	7.58	-64.52
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCOCC1	REAL300012495544	0	56	0.0	-70.68	406.78	6.94	-63.74
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC=C(F)C(F)=C1	REAL300012495545	0	52	0.0	-66.21	408.55	9.12	-57.09
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC=C(Cl)C(F)=C1	REAL300012495546	0	52	0.0	-66.14	418.44	9.57	-56.57
COC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C(C(=O)[O-])C1	REAL300012495547	0	56	0.0	-80.62	402.15	9.10	-71.52
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCOC1	REAL300012495548	0	56	0.0	-68.53	403.56	6.82	-61.71
CC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C(C(=O)[O-])C1	REAL300012495549	0	55	0.0	-80.11	384.13	10.17	-69.94
CC1=CC(C(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])=CC=C1F	REAL300012495550	0	55	0.0	-70.69	416.31	9.44	-61.25
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC=C2OCCC2=C1	REAL300012495551	0	57	0.0	-73.18	425.25	8.67	-64.51
CC1=CC(C(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])=CC(C)=C1	REAL300012495552	0	58	0.0	-73.64	432.18	10.14	-63.50
CC1=CC=C(C(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])C=C1C	REAL300012495553	0	58	0.0	-72.12	434.03	10.28	-61.84
CC1=CC=CC(C(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])=C1C	REAL300012495554	0	58	0.0	-74.09	419.57	9.75	-64.34
COC1=CC=C(C(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])C=C1F	REAL300012495555	0	56	0.0	-69.75	431.57	8.38	-61.37
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495556	0	51	0.0	-58.99	379.10	9.50	-49.49
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCC1	REAL300012495557	0	55	0.0	-59.45	392.08	9.90	-49.55
CCCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C(COC)C(=O)[O-]	REAL300012495558	0	58	0.0	-72.67	421.95	10.40	-62.27
CCCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C(CC)C(=O)[O-]	REAL300012495559	0	57	0.0	-53.99	402.46	11.08	-42.91
CC(C)C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495560	0	51	0.0	-73.29	370.47	7.24	-66.05
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495561	0	52	0.0	-81.65	363.64	9.83	-71.82
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC=C(Cl)C=C1	REAL300012495562	0	52	0.0	-69.85	405.68	9.29	-60.56
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495563	0	50	0.0	-77.81	363.21	9.57	-68.24
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCCC1	REAL300012495564	0	55	0.0	-74.82	382.94	8.87	-65.95
O=C([O-])C1CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495565	0	49	0.0	-79.07	353.08	8.18	-70.89
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCC1	REAL300012495566	0	52	0.0	-74.28	374.68	8.03	-66.25
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCCCC1	REAL300012495567	0	58	0.0	-75.32	388.61	9.53	-65.79
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495568	0	55	0.0	-72.96	411.60	9.74	-63.22
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495569	0	55	0.0	-59.60	410.36	11.49	-48.11
O=C([O-])[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC=CC=C1	REAL300012495570	0	52	0.0	-71.72	395.84	9.00	-62.72
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC=CC=C1	REAL300012495571	0	52	0.0	-73.28	389.60	8.73	-64.55
CC(C)C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495572	0	51	0.0	-73.29	370.47	7.24	-66.05
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495573	0	55	0.0	-72.96	411.60	9.74	-63.22
CCC(C)C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495574	0	54	0.0	-72.41	383.01	7.61	-64.80
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495575	0	52	0.0	-81.65	363.64	9.83	-71.82
CCCC(C)(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495576	0	54	0.0	-70.90	379.06	7.79	-63.11
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495577	0	51	0.0	-69.80	367.23	8.99	-60.81
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC1	REAL300012495578	0	49	0.0	-71.72	357.64	8.91	-62.81
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495579	0	49	0.0	-58.73	370.41	9.30	-49.43
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495580	0	54	0.0	-58.83	393.75	10.02	-48.81
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495581	0	56	0.0	-79.03	407.12	11.95	-67.08
CC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)(C(=O)[O-])C1CC1	REAL300012495582	0	52	0.0	-72.92	367.00	7.79	-65.13
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC=CS1	REAL300012495583	0	49	0.0	-71.86	380.94	7.89	-63.97
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCCC1	REAL300012495584	0	55	0.0	-74.82	382.94	8.87	-65.95
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495585	0	55	0.0	-57.23	427.08	12.01	-45.22
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495586	0	51	0.0	-69.80	367.23	8.99	-60.81
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495587	0	51	0.0	-58.99	379.10	9.50	-49.49
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495588	0	59	0.0	-75.35	440.91	9.75	-65.60
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495589	0	54	0.0	-72.40	382.99	7.61	-64.79
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCC1	REAL300012495590	0	52	0.0	-74.28	374.68	8.03	-66.25
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495591	0	55	0.0	-57.39	416.76	11.55	-45.84
CCC(C)(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495592	0	51	0.0	-70.66	357.56	7.03	-63.63
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC2=CC=CC=C2C1	REAL300012495593	0	56	0.0	-73.98	407.54	9.92	-64.06
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC(F)=CC=C1F	REAL300012495594	0	52	0.0	-73.18	400.43	8.90	-64.28
CC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012495595	0	55	0.0	-73.91	397.32	9.52	-64.39
CCCCCCC(C)(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495596	0	63	0.0	-71.05	443.56	10.12	-60.93
CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012495597	0	58	0.0	-69.59	426.67	11.87	-57.72
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC=C(Cl)C=C1	REAL300012495598	0	52	0.0	-69.85	405.68	9.29	-60.56
O=C([O-])C1COCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495599	0	50	0.0	-77.67	354.17	7.10	-70.57
CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1(C(=O)[O-])CCCCC1	REAL300012495600	0	58	0.0	-77.80	392.19	10.20	-67.60
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC1	REAL300012495601	0	49	0.0	-70.59	366.59	7.42	-63.17
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495602	0	58	0.0	-58.39	439.00	12.52	-45.87
CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012495603	0	55	0.0	-78.44	400.04	10.31	-68.13
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495604	0	52	0.0	-59.77	388.97	7.93	-51.84
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCC2=CC=CC=C21	REAL300012495605	0	56	0.0	-76.70	404.49	9.83	-66.87
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495606	0	49	0.0	-77.98	358.94	8.45	-69.53
O=C([O-])[C@H]1CCCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495607	0	52	0.0	-77.42	367.82	9.84	-67.58
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495608	0	49	0.0	-79.08	353.10	8.16	-70.92
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCC1	REAL300012495609	0	49	0.0	-75.09	360.80	7.61	-67.48
C=CCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495610	0	49	0.0	-71.61	365.91	7.13	-64.48
CC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495611	0	52	0.0	-76.62	375.50	9.37	-67.25
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495612	0	59	0.0	-79.08	451.75	9.94	-69.14
O=C([O-])C1CCCCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495613	0	55	0.0	-77.37	382.43	10.49	-66.88
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC1	REAL300012495614	0	49	0.0	-70.59	366.59	7.42	-63.17
CCCCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495615	0	54	0.0	-71.76	396.42	8.21	-63.55
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495616	0	58	0.0	-58.39	439.00	12.52	-45.87
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495617	0	52	0.0	-74.94	373.80	9.38	-65.56
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCC1	REAL300012495618	0	55	0.0	-55.36	381.64	9.86	-45.50
COCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495619	0	49	0.0	-74.27	365.28	4.90	-69.37
CCCCCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495620	0	57	0.0	-72.73	417.92	8.99	-63.74
CCC1CCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)(C(=O)[O-])CC1	REAL300012495621	0	61	0.0	-74.64	422.00	10.12	-64.52
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCOCC1	REAL300012495622	0	56	0.0	-56.78	402.38	8.64	-48.14
CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1(C(=O)[O-])CCCC1	REAL300012495623	0	55	0.0	-77.01	385.11	9.71	-67.30
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC1	REAL300012495624	0	52	0.0	-59.12	371.25	9.31	-49.81
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC1	REAL300012495625	0	55	0.0	-59.33	390.36	10.16	-49.17
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC=CC=C1Cl	REAL300012495626	0	52	0.0	-73.86	401.02	9.26	-64.60
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC=CC=C1F	REAL300012495627	0	52	0.0	-78.26	394.03	8.83	-69.43
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495628	0	56	0.0	-60.79	404.41	11.18	-49.61
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495629	0	55	0.0	-77.50	426.56	9.92	-67.58
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495630	0	61	0.0	-73.08	433.51	9.93	-63.15
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495631	0	58	0.0	-58.68	422.84	12.13	-46.55
CC1=CC=C(C(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])C=C1	REAL300012495632	0	55	0.0	-73.41	410.36	9.45	-63.96
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495633	0	48	0.0	-66.35	368.53	7.39	-58.96
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300012495634	0	58	0.0	-74.78	434.97	11.03	-63.75
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCSCC1	REAL300012495635	0	53	0.0	-70.57	386.89	8.82	-61.75
COCC(C)(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495636	0	52	0.0	-75.14	375.81	6.31	-68.83
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495637	0	55	0.0	-68.71	402.09	8.42	-60.29
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495638	0	54	0.0	-58.83	393.75	10.02	-48.81
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495639	0	61	0.0	-57.36	438.42	12.82	-44.54
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC1	REAL300012495640	0	49	0.0	-71.72	357.64	8.91	-62.81
O=C([O-])CN(CCC(F)(F)F)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495641	0	51	0.0	-59.00	397.23	9.88	-49.12
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCOC1	REAL300012495642	0	50	0.0	-71.61	359.07	5.17	-66.44
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCC1	REAL300012495643	0	58	0.0	-72.90	406.49	8.94	-63.96
CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012495644	0	59	0.0	-70.74	422.96	9.38	-61.36
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495645	0	59	0.0	-77.68	433.30	13.10	-64.58
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCOCC1	REAL300012495646	0	53	0.0	-73.71	380.61	6.64	-67.07
C=CCCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495647	0	52	0.0	-72.38	387.74	7.99	-64.39
O=C([O-])C(CF)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495648	0	45	0.0	-61.20	335.05	5.68	-55.52
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495649	0	58	0.0	-51.36	421.37	12.31	-39.05
CCC(CC)(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495650	0	54	0.0	-73.12	374.24	7.92	-65.20
COC1=CC=C(C(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])C=C1	REAL300012495651	0	56	0.0	-73.64	419.04	8.03	-65.61
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495652	0	54	0.0	-58.29	388.32	10.08	-48.21
CCC(COC)(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495653	0	55	0.0	-74.62	398.49	7.49	-67.13
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495654	0	58	0.0	-69.32	421.99	9.07	-60.25
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCS(=O)(=O)CC1	REAL300012495655	0	55	0.0	-75.54	405.72	5.12	-70.42
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495656	0	52	0.0	-71.34	385.30	8.16	-63.18
COCCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495657	0	52	0.0	-72.44	386.27	5.74	-66.70
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495658	0	57	0.0	-68.55	409.01	10.50	-58.05
O=C([O-])C(CC(F)F)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495659	0	48	0.0	-71.28	365.77	6.95	-64.33
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495660	0	58	0.0	-77.63	404.54	10.82	-66.81
CCCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C(C)C(=O)[O-]	REAL300012495661	0	54	0.0	-53.14	389.88	10.35	-42.79
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495662	0	58	0.0	-77.72	421.24	12.34	-65.38
CCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012495663	0	58	0.0	-73.78	414.36	10.40	-63.38
COC1CCCC(C(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])C1	REAL300012495664	0	62	0.0	-77.50	439.62	7.87	-69.63
O=C([O-])C(CCF)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495665	0	48	0.0	-71.56	360.02	6.81	-64.75
COC1(CC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])CCC1	REAL300012495666	0	59	0.0	-70.95	423.26	7.85	-63.10
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCOCC1	REAL300012495667	0	56	0.0	-56.78	402.38	8.64	-48.14
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCC1	REAL300012495668	0	58	0.0	-56.77	411.33	11.01	-45.76
C[C@H]1CC[C@@](NC(=O)NC2CC[NH+](C3CCCC3)CC2)(C(=O)[O-])CC1	REAL300012495669	0	58	0.0	-76.23	396.73	9.25	-66.98
COC1=CC=CC(C(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])=C1	REAL300012495670	0	56	0.0	-74.46	425.11	8.37	-66.09
CC(CCF)(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495671	0	51	0.0	-67.85	364.15	7.17	-60.68
O=C([O-])C1C2=C(CCN1C(=O)NC1CC[NH+](C3CCCC3)CC1)OC=C2	REAL300012495672	0	53	0.0	-62.58	387.29	9.36	-53.22
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495673	0	49	0.0	-71.67	366.08	8.35	-63.32
COC1=CC=CC([C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])=C1	REAL300012495674	0	56	0.0	-76.17	419.08	8.02	-68.15
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300012495675	0	58	0.0	-80.03	418.64	10.52	-69.51
COC1=CC=CC(CC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])=C1	REAL300012495676	0	59	0.0	-73.44	441.30	8.98	-64.46
CC1(C)CCCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)(C(=O)[O-])C1	REAL300012495677	0	61	0.0	-75.52	417.14	10.03	-65.49
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495678	0	50	0.0	-81.52	365.94	9.43	-72.09
COC1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C(C)(C(=O)[O-])C1	REAL300012495679	0	56	0.0	-75.46	408.83	8.33	-67.13
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495680	0	59	0.0	-71.75	420.59	8.18	-63.57
CC(C)(C)[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495681	0	54	0.0	-74.07	384.21	7.77	-66.30
C=C(Cl)CC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495682	0	49	0.0	-73.23	382.69	7.72	-65.51
C=C(C)CC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495683	0	52	0.0	-72.33	384.99	7.97	-64.36
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495684	0	53	0.0	-85.56	374.37	10.00	-75.56
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495685	0	58	0.0	-70.46	427.63	10.19	-60.27
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495686	0	49	0.0	-73.37	367.39	8.33	-65.04
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495687	0	49	0.0	-73.77	364.12	8.53	-65.24
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300012495688	0	50	0.0	-78.81	366.36	8.67	-70.14
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495689	0	59	0.0	-73.16	420.68	8.14	-65.02
CC(C)C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495690	0	54	0.0	-73.17	392.17	8.01	-65.16
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCOCC1	REAL300012495691	0	56	0.0	-70.68	406.78	6.94	-63.74
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC=CC=C1	REAL300012495692	0	52	0.0	-73.28	389.60	8.73	-64.55
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495693	0	52	0.0	-71.34	385.30	8.16	-63.18
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495694	0	51	0.0	-72.39	398.60	6.80	-65.59
CC(C)CCCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495695	0	60	0.0	-71.97	434.66	9.52	-62.45
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495696	0	58	0.0	-71.51	441.73	10.08	-61.43
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495697	0	56	0.0	-73.99	415.62	7.37	-66.62
CSCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495698	0	49	0.0	-69.37	376.22	7.11	-62.26
COC[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495699	0	49	0.0	-72.96	371.52	5.16	-67.80
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495700	0	55	0.0	-71.26	418.26	9.74	-61.52
CCC(C)CC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495701	0	57	0.0	-72.72	409.55	8.68	-64.04
C=CCCCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495702	0	55	0.0	-71.27	408.99	8.83	-62.44
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495703	0	55	0.0	-71.40	417.38	9.76	-61.64
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC=CC2=CC=CC=C21	REAL300012495704	0	58	0.0	-78.17	430.77	10.88	-67.29
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495705	0	50	0.0	-77.81	363.21	9.57	-68.24
CC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012495706	0	55	0.0	-73.91	397.32	9.52	-64.39
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495707	0	49	0.0	-77.98	358.94	8.45	-69.53
CCCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495708	0	51	0.0	-72.08	374.09	7.46	-64.62
CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495709	0	51	0.0	-71.88	376.70	7.51	-64.37
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495710	0	53	0.0	-83.47	373.79	10.15	-73.32
CCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C(C)(C)C(=O)[O-]	REAL300012495711	0	54	0.0	-72.10	384.34	9.67	-62.43
CCCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C(C)C(=O)[O-]	REAL300012495712	0	54	0.0	-53.14	389.88	10.35	-42.79
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495713	0	48	0.0	-65.98	372.21	9.24	-56.74
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495714	0	48	0.0	-65.98	372.21	9.24	-56.74
CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C(C)(C)C(=O)[O-]	REAL300012495715	0	51	0.0	-73.61	364.68	8.86	-64.75
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495716	0	49	0.0	-79.08	353.10	8.16	-70.92
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495717	0	61	0.0	-59.81	445.94	7.22	-52.59
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495718	0	50	0.0	-77.84	368.76	5.13	-72.71
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	REAL300012495719	1	65	0.0	-58.26	463.75	6.67	-51.59
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495720	0	56	0.0	-56.16	406.54	11.60	-44.56
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1C(=O)[O-]	REAL300012495721	0	59	0.0	-62.00	421.12	12.00	-50.00
CCC[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495722	0	51	0.0	-70.94	380.92	7.75	-63.19
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495723	0	57	0.0	-72.21	409.22	9.87	-62.34
O=C([O-])[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC=CC=C1	REAL300012495724	0	52	0.0	-71.72	395.84	9.00	-62.72
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495725	0	57	0.0	-72.60	435.12	8.97	-63.63
C=CCCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495726	0	52	0.0	-72.38	387.74	7.99	-64.39
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495727	0	51	0.0	-74.38	398.13	6.74	-67.64
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495728	0	52	0.0	-69.24	417.89	8.48	-60.76
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495729	0	52	0.0	-86.50	383.42	6.13	-80.37
CN1CC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1=O	REAL300012495730	0	53	0.0	-72.29	379.78	7.69	-64.60
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495731	0	52	0.0	-77.01	369.24	9.11	-67.90
CC(C)[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495732	0	51	0.0	-71.82	376.70	7.51	-64.31
O=C([O-])[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CC=CC=C1	REAL300012495733	0	52	0.0	-71.82	395.80	8.99	-62.83
CC(CN1C=CC=N1)(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495734	0	55	0.0	-72.87	403.57	8.08	-64.79
CCC[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495735	0	51	0.0	-72.35	374.68	7.49	-64.86
CCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C(C)C(=O)[O-]	REAL300012495736	0	51	0.0	-69.09	368.51	8.84	-60.25
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCC1	REAL300012495737	0	55	0.0	-55.36	381.64	9.86	-45.50
CC(CN(C)C(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495738	0	51	0.0	-71.79	370.90	8.42	-63.37
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495739	0	54	0.0	-72.40	382.99	7.61	-64.79
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495740	0	51	0.0	-70.36	363.84	8.66	-61.70
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC(CO)C1	REAL300012495741	0	53	0.0	-75.09	393.06	4.89	-70.20
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495742	0	61	0.0	-74.70	435.85	8.01	-66.69
CC1CCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)(C(=O)[O-])C1	REAL300012495743	0	55	0.0	-73.04	395.74	8.65	-64.39
CC1(C)CCCC1(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495744	0	58	0.0	-74.72	398.98	9.12	-65.60
COCCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495745	0	52	0.0	-72.44	386.27	5.74	-66.70
CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012495746	0	58	0.0	-69.59	426.67	11.87	-57.72
CC1(C)CC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)(C(=O)[O-])C1	REAL300012495747	0	55	0.0	-75.65	397.22	9.32	-66.33
CC1CCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012495748	0	62	0.0	-75.57	438.24	11.05	-64.52
CC1(C(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])CC1	REAL300012495749	0	52	0.0	-73.34	374.88	8.00	-65.34
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495750	0	61	0.0	-71.56	443.46	8.20	-63.36
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495751	0	50	0.0	-81.54	367.41	5.34	-76.20
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495752	0	60	0.0	-63.18	431.82	12.30	-50.88
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCOC1	REAL300012495753	0	53	0.0	-70.35	386.15	5.80	-64.55
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495754	0	53	0.0	-82.35	373.90	9.70	-72.65
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1=CNC2=CC=CC=C12	REAL300012495755	0	56	0.0	-79.97	421.27	8.87	-71.10
O=C([O-])C12COC(CN1C(=O)NC1CC[NH+](C3CCCC3)CC1)C2	REAL300012495756	0	51	0.0	-77.17	372.86	7.66	-69.51
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300012495757	0	55	0.0	-81.12	384.78	10.50	-70.62
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495758	0	58	0.0	-72.13	425.83	10.00	-62.13
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495759	0	59	0.0	-73.07	426.14	9.79	-63.28
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCC1	REAL300012495760	0	52	0.0	-71.80	378.30	7.71	-64.09
CC1(C)CC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)(C(=O)[O-])CC(C)(C)O1	REAL300012495761	0	65	0.0	-71.87	453.05	9.77	-62.10
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCC1	REAL300012495762	0	58	0.0	-72.90	406.49	8.94	-63.96
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCC1	REAL300012495763	0	52	0.0	-71.80	378.30	7.71	-64.09
CC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1C(=O)[O-]	REAL300012495764	0	52	0.0	-78.34	368.36	8.73	-69.61
C=CCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495765	0	49	0.0	-71.61	365.91	7.13	-64.48
O=C([O-])C(CC1CCCCO1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495766	0	59	0.0	-71.49	425.66	8.38	-63.11
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495767	0	59	0.0	-55.50	418.37	11.07	-44.43
CC1(C)CC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)(C(=O)[O-])CCO1	REAL300012495768	0	59	0.0	-75.05	403.46	7.67	-67.38
CC1=CC=CC2=C1CCN(C(=O)NC1CC[NH+](C3CCCC3)CC1)C2C(=O)[O-]	REAL300012495769	0	59	0.0	-63.95	422.45	11.63	-52.32
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495770	0	53	0.0	-54.49	380.11	9.83	-44.66
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495771	0	59	0.0	-73.07	426.14	9.79	-63.28
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495772	0	55	0.0	-74.25	418.04	9.81	-64.44
COC1CC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)(C(=O)[O-])C1	REAL300012495773	0	53	0.0	-78.20	387.91	6.32	-71.88
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC(F)(F)C1	REAL300012495774	0	49	0.0	-73.97	362.98	7.39	-66.58
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](C3CCCC3)CC2)(C(=O)[O-])C1	REAL300012495775	0	53	0.0	-69.74	390.58	6.51	-63.23
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1(C(F)(F)F)CC1	REAL300012495776	0	52	0.0	-74.81	393.33	8.36	-66.45
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495777	0	55	0.0	-77.56	388.82	10.62	-66.94
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495778	0	48	0.0	-66.35	368.53	7.39	-58.96
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495779	0	56	0.0	-74.02	408.30	6.71	-67.31
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)COC1	REAL300012495780	0	47	0.0	-70.05	345.38	4.40	-65.65
O=C([O-])C(CC1=CC=CS1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495781	0	52	0.0	-73.25	402.88	8.76	-64.49
COCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012495782	0	59	0.0	-70.47	436.81	8.99	-61.48
CC(C)C(C)(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495783	0	54	0.0	-71.75	374.30	7.72	-64.03
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495784	0	50	0.0	-81.11	359.29	9.72	-71.39
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495785	0	53	0.0	-77.68	379.91	9.42	-68.26
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495786	0	58	0.0	-77.72	421.24	12.34	-65.38
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495787	0	61	0.0	-73.08	433.51	9.93	-63.15
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495788	0	58	0.0	-71.39	441.07	10.71	-60.68
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495789	0	58	0.0	-71.29	441.07	10.72	-60.57
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC2CCC1C2	REAL300012495790	0	59	0.0	-74.11	416.14	9.49	-64.62
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495791	0	61	0.0	-71.91	433.45	9.96	-61.95
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495792	0	61	0.0	-73.49	433.76	9.86	-63.63
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495793	0	59	0.0	-53.38	420.20	10.80	-42.58
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495794	0	59	0.0	-78.40	415.50	10.55	-67.85
COC1=CC=C(CC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])C=C1	REAL300012495795	0	59	0.0	-73.30	447.35	9.30	-64.00
C=CCSCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495796	0	53	0.0	-68.97	411.16	8.53	-60.44
N#CC1=CC=C(CC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])C=C1	REAL300012495797	0	56	0.0	-71.80	438.92	10.33	-61.47
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495798	0	54	0.0	-69.93	384.70	9.79	-60.14
COC1(C(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])CCC1	REAL300012495799	0	56	0.0	-67.37	407.03	6.56	-60.81
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCC(C(F)F)CC1	REAL300012495800	0	58	0.0	-72.25	414.56	9.66	-62.59
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCC2=CC=CC=C2C1	REAL300012495801	0	59	0.0	-76.07	420.90	10.79	-65.28
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC(C(F)F)C1	REAL300012495802	0	52	0.0	-77.78	392.65	8.46	-69.32
CC(C)C1=CC=C(C(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])C=C1	REAL300012495804	0	61	0.0	-72.84	449.83	10.66	-62.18
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495805	0	49	0.0	-73.77	364.12	8.53	-65.24
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495806	0	51	0.0	-55.73	372.80	9.67	-46.06
CC1(C)CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1C(=O)[O-]	REAL300012495807	0	55	0.0	-78.74	394.57	9.48	-69.26
CCOC1=CC=C(C(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C(=O)[O-])C=C1	REAL300012495808	0	59	0.0	-72.81	440.93	8.95	-63.86
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495809	0	59	0.0	-79.64	408.81	11.25	-68.39
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCC2=CC=CC=C21	REAL300012495810	0	59	0.0	-71.79	436.28	10.88	-60.91
CC(COC1=CC=CC=C1)(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495811	0	59	0.0	-75.28	438.26	10.04	-65.24
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495812	0	55	0.0	-76.60	425.81	9.66	-66.94
CC(C)CCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495813	0	57	0.0	-72.26	413.16	8.75	-63.51
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495814	0	56	0.0	-54.21	406.24	10.27	-43.94
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495815	0	56	0.0	-74.02	408.30	6.71	-67.31
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300012495816	0	53	0.0	-74.65	399.79	10.00	-64.65
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCC2CC21	REAL300012495817	0	56	0.0	-74.32	391.50	9.24	-65.08
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CCC2CC21	REAL300012495818	0	53	0.0	-74.54	382.16	8.86	-65.68
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC2(CCC2)C1	REAL300012495819	0	56	0.0	-73.86	403.42	9.24	-64.62
CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012495820	0	58	0.0	-71.02	420.94	11.71	-59.31
O=C([O-])C1CC2(CN1C(=O)NC1CC[NH+](C3CCCC3)CC1)CCCCC2	REAL300012495821	0	62	0.0	-53.84	428.20	11.00	-42.84
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCC1	REAL300012495822	0	55	0.0	-72.34	395.21	8.38	-63.96
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495823	0	52	0.0	-74.16	383.43	5.90	-68.26
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495824	0	52	0.0	-72.57	373.58	8.18	-64.39
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495825	0	55	0.0	-59.60	410.36	11.49	-48.11
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300012495826	0	55	0.0	-53.74	398.25	9.63	-44.11
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495827	0	52	0.0	-78.16	374.60	9.72	-68.44
O=C([O-])C1N(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCC1(F)F	REAL300012495828	0	49	0.0	-82.16	366.14	8.30	-73.86
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495829	0	55	0.0	-74.25	418.04	9.81	-64.44
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495830	0	52	0.0	-73.34	402.67	8.58	-64.76
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495831	0	52	0.0	-71.42	381.37	9.23	-62.19
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC2(CC(F)(F)C2)C1	REAL300012495832	0	56	0.0	-74.57	422.85	9.65	-64.92
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495833	0	52	0.0	-73.34	402.67	8.58	-64.76
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495834	0	56	0.0	-77.99	395.11	10.23	-67.76
COCCCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495835	0	55	0.0	-70.71	408.35	6.56	-64.15
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495836	0	54	0.0	-68.20	391.59	9.70	-58.50
CCOCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495837	0	52	0.0	-73.61	387.14	5.88	-67.73
CC(C)(C)CC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495838	0	57	0.0	-71.87	403.87	9.11	-62.76
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCO1	REAL300012495839	0	56	0.0	-73.24	410.91	7.48	-65.76
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC2=CC=CC=C2C1	REAL300012495840	0	56	0.0	-73.98	407.54	9.92	-64.06
C[C@H]1OCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1C(=O)[O-]	REAL300012495841	0	53	0.0	-75.82	378.44	8.15	-67.67
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495842	0	55	0.0	-71.02	399.31	9.84	-61.18
N#CCCC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300012495843	0	49	0.0	-73.50	373.45	7.18	-66.32
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495844	0	58	0.0	-75.35	437.17	10.03	-65.32
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495845	0	52	0.0	-59.84	398.26	9.89	-49.95
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495846	0	63	0.0	-77.71	429.73	10.72	-66.99
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300012495847	0	54	0.0	-68.81	423.58	8.30	-60.51
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300012495848	0	56	0.0	-73.70	412.09	8.67	-65.03
CCOC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012496007	0	57	0.0	-64.17	442.54	7.64	-56.53
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CCCOC2)CC1	REAL300012500190	0	52	0.0	-59.62	392.96	4.99	-54.63
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC(C(F)(F)F)C2)CC1	REAL300012500685	0	50	0.0	-63.43	396.52	6.80	-56.63
CN1N=NC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012500885	0	49	0.0	-66.52	385.91	3.77	-62.75
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCSC2)CC1	REAL300012501371	0	51	0.0	-62.97	393.80	6.82	-56.15
CCCC1=NC(C)=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])O1	REAL300012501622	0	58	0.0	-65.25	451.29	5.05	-60.20
CCC1=NC(C)=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])O1	REAL300012501874	0	55	0.0	-63.86	430.72	4.32	-59.54
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C2=CC=CC=C2)C2CC2)CC1	REAL300012502168	0	60	0.0	-62.66	461.73	10.23	-52.43
COC1(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCC1	REAL300012502417	0	57	0.0	-63.69	426.90	5.93	-57.76
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC(C)(C)C2CC2)CC1	REAL300012502635	0	59	0.0	-61.80	431.71	8.08	-53.72
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)CC1	REAL300012502895	0	63	0.0	-61.94	466.29	9.84	-52.10
CC(C)[C@@H]1C[C@H]1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012503733	0	56	0.0	-58.95	418.27	7.56	-51.39
COC1CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C12CCC2	REAL300012504244	0	58	0.0	-64.32	435.20	6.61	-57.71
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3(CC3)C2)CC1	REAL300012505016	0	51	0.0	-57.87	385.30	6.99	-50.88
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NN3C=CC=NC3=N2)CC1	REAL300012505434	0	51	0.0	-74.83	408.39	7.51	-67.32
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)CC1	REAL300012505708	0	60	0.0	-64.50	448.69	6.95	-57.55
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2CC2(C)C)CC1	REAL300012505871	0	50	0.0	-62.52	381.12	6.63	-55.89
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)OCC2CC2)CC1	REAL300012506062	0	60	0.0	-62.55	444.37	7.05	-55.50
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2C[C@H]2C2=CC=CC=C2)CC1	REAL300012506675	0	57	0.0	-60.50	433.84	9.12	-51.38
COCC1(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012506920	0	57	0.0	-64.43	437.15	6.28	-58.15
CC(C)[C@@H]1CCO[C@@H]1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012507173	0	60	0.0	-59.74	429.56	5.87	-53.87
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3C=CC2CC3)CC1	REAL300012507528	0	58	0.0	-62.31	424.00	8.46	-53.85
C=CCN1C=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N=N1	REAL300012507773	0	53	0.0	-73.46	422.24	5.29	-68.17
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CC1	REAL300012508018	0	60	0.0	-62.09	444.20	9.17	-52.92
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2C[C@H]2C2CCC2)CC1	REAL300012508241	0	57	0.0	-62.03	432.55	8.70	-53.33
C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012508451	0	55	0.0	-58.39	416.11	5.66	-52.73
CCN1N=C(C)C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012508677	0	55	0.0	-64.31	430.33	4.98	-59.33
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOCC2CCC2)CC1	REAL300012509198	0	57	0.0	-62.64	429.75	6.34	-56.30
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])CC(F)F	REAL300012509414	0	52	0.0	-58.40	395.21	6.56	-51.84
CN1C=NC(CCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012510005	0	55	0.0	-70.13	431.81	7.21	-62.92
CC1SCCC1NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012510341	0	51	0.0	-62.44	391.50	7.28	-55.16
CCS(=O)(=O)C1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012510728	0	56	0.0	-76.28	443.07	4.11	-72.17
COCCONC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012511707	0	48	0.0	-62.25	373.06	4.55	-57.70
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NOC2CCCCC2)CC1	REAL300012511851	0	54	0.0	-60.12	402.02	7.94	-52.18
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NOCC2CCOC2)CC1	REAL300012512043	0	52	0.0	-60.73	395.54	5.41	-55.32
COC1=CC=CC=C1CONC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012512294	0	55	0.0	-63.13	426.02	7.63	-55.50
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CC=C2)CC1	REAL300012512524	0	53	0.0	-59.42	407.46	7.95	-51.47
COC1=NC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012512746	0	53	0.0	-68.33	417.21	4.17	-64.16
CCOC1=NC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012513022	0	56	0.0	-64.60	439.06	5.10	-59.50
CC(C)C[C@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513150	1	51	0.0	-73.00	400.42	5.10	-67.90
C=CC(C)C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513152	1	49	0.0	-73.57	386.56	4.50	-69.07
COC1CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C(C(=O)[O-])C1	REAL300012513154	1	53	0.0	-86.99	402.73	6.03	-80.96
CC1CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C(C(=O)[O-])C1	REAL300012513156	1	52	0.0	-84.73	385.73	7.03	-77.70
CC1=CC(C(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C(=O)[O-])=CC(C)=C1	REAL300012513157	1	55	0.0	-77.54	440.73	7.17	-70.37
CC1=CC=C(C(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C(=O)[O-])C=C1C	REAL300012513158	1	55	0.0	-77.78	436.41	7.03	-70.75
CC1=CC=CC(C(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C(=O)[O-])=C1C	REAL300012513159	1	55	0.0	-74.71	428.11	6.79	-67.92
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513160	1	48	0.0	-57.58	381.47	6.24	-51.34
CC(C(=O)[O-])N(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CCC1	REAL300012513161	1	52	0.0	-59.35	394.99	6.75	-52.60
CCCN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(COC)C(=O)[O-]	REAL300012513162	1	55	0.0	-80.08	424.27	7.19	-72.89
CCCN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(CC)C(=O)[O-]	REAL300012513163	1	54	0.0	-77.47	415.27	8.02	-69.45
CC(C)C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513164	1	48	0.0	-75.28	377.17	4.28	-71.00
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513165	1	49	0.0	-85.91	372.10	6.91	-79.00
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513166	1	47	0.0	-82.48	371.62	6.63	-75.85
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCCCC1	REAL300012513167	1	52	0.0	-80.03	391.49	5.91	-74.12
O=C([O-])C1CCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513168	1	46	0.0	-80.40	360.81	5.59	-74.81
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCCC1	REAL300012513169	1	49	0.0	-80.19	377.05	4.78	-75.41
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCCCCC1	REAL300012513170	1	55	0.0	-81.02	397.22	6.55	-74.47
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513171	1	52	0.0	-77.41	420.24	6.75	-70.66
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513172	1	52	0.0	-57.56	418.97	8.49	-49.07
O=C([O-])[C@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1=CC=CC=C1	REAL300012513173	1	49	0.0	-76.88	397.98	5.82	-71.06
O=C([O-])C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1=CC=CC=C1	REAL300012513174	1	49	0.0	-77.29	398.22	5.74	-71.55
CCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513175	1	45	0.0	-75.63	361.81	3.73	-71.90
CC(C)C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513176	1	48	0.0	-75.28	377.17	4.28	-71.00
CN(CC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513177	1	42	0.0	-75.53	338.16	4.51	-71.02
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513178	1	52	0.0	-77.41	420.24	6.75	-70.66
CC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513179	1	42	0.0	-63.58	340.21	2.65	-60.93
CCC(C)C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513180	1	51	0.0	-74.70	397.03	4.88	-69.82
CN(CC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513181	1	42	0.0	-75.53	338.16	4.51	-71.02
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513182	1	49	0.0	-85.91	372.10	6.91	-79.00
CCCC(C)(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513183	1	51	0.0	-73.88	387.68	4.80	-69.08
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513184	1	48	0.0	-57.63	372.23	5.90	-51.73
O=C([O-])CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CC1	REAL300012513185	1	46	0.0	-76.55	364.83	5.91	-70.64
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513186	1	46	0.0	-57.31	372.78	6.05	-51.26
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513187	1	51	0.0	-57.43	396.13	6.76	-50.67
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513188	1	53	0.0	-85.95	409.73	8.76	-77.19
CC(C)(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513189	1	45	0.0	-62.11	352.79	3.05	-59.06
CC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)(C(=O)[O-])C1CC1	REAL300012513190	1	49	0.0	-77.90	375.68	4.80	-73.10
O=C([O-])C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1=CC=CS1	REAL300012513191	1	46	0.0	-75.26	389.84	4.82	-70.44
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCCCC1	REAL300012513192	1	52	0.0	-80.03	391.49	5.91	-74.12
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513193	1	48	0.0	-57.63	372.23	5.90	-51.73
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513194	1	48	0.0	-57.58	381.47	6.24	-51.34
CCN(CC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513195	1	45	0.0	-75.81	359.97	5.49	-70.32
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513196	1	51	0.0	-74.07	393.21	4.66	-69.41
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCCC1	REAL300012513197	1	49	0.0	-80.19	377.05	4.78	-75.41
CCC(C)(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513198	1	48	0.0	-76.01	366.19	4.04	-71.97
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC2=CC=CC=C2C1	REAL300012513199	1	53	0.0	-80.05	417.54	7.06	-72.99
CC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012513200	1	52	0.0	-78.24	406.01	6.53	-71.71
C[C@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513201	1	42	0.0	-63.57	340.22	2.65	-60.92
CCN(CC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513202	1	45	0.0	-75.81	359.97	5.49	-70.32
CCCCCCC(C)(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513203	1	60	0.0	-76.54	452.18	7.13	-69.41
CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012513204	1	55	0.0	-74.08	429.04	8.61	-65.47
C[C@@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513205	1	42	0.0	-64.28	340.22	2.65	-61.63
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC1	REAL300012513206	1	43	0.0	-81.26	346.31	3.90	-77.36
O=C([O-])C1COCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513207	1	47	0.0	-81.15	362.83	4.19	-76.96
CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1(C(=O)[O-])CCCCC1	REAL300012513208	1	55	0.0	-81.90	400.73	7.23	-74.67
O=C([O-])C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CC1	REAL300012513209	1	46	0.0	-74.08	371.80	4.21	-69.87
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513210	1	55	0.0	-58.52	441.38	9.27	-49.25
CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012513211	1	52	0.0	-73.72	405.85	7.43	-66.29
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513212	1	49	0.0	-57.96	391.35	4.67	-53.29
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCC2=CC=CC=C21	REAL300012513213	1	53	0.0	-79.26	412.82	6.83	-72.43
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513214	1	46	0.0	-83.04	361.49	5.30	-77.74
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513215	1	49	0.0	-84.67	371.51	6.61	-78.06
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513216	1	45	0.0	-70.74	352.56	4.63	-66.11
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513217	1	46	0.0	-80.02	360.71	5.62	-74.40
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCC1	REAL300012513218	1	46	0.0	-81.12	363.18	4.39	-76.73
C=CCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513219	1	46	0.0	-75.24	375.08	4.19	-71.05
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513220	1	49	0.0	-80.30	377.88	6.15	-74.15
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513221	1	52	0.0	-84.30	384.89	7.27	-77.03
O=C([O-])C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CC1	REAL300012513222	1	46	0.0	-74.08	371.80	4.21	-69.87
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513223	1	45	0.0	-70.74	352.56	4.63	-66.11
CCCCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513224	1	51	0.0	-72.83	404.21	5.22	-67.61
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513225	1	55	0.0	-58.52	441.38	9.27	-49.25
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513226	1	49	0.0	-79.76	377.83	6.16	-73.60
O=C([O-])CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CCCC1	REAL300012513227	1	52	0.0	-56.39	396.31	7.06	-49.33
CCCCCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513229	1	54	0.0	-73.47	426.54	5.99	-67.48
CCC1CCC(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)(C(=O)[O-])CC1	REAL300012513230	1	58	0.0	-80.02	430.54	7.16	-72.86
O=C([O-])CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CCOCC1	REAL300012513231	1	53	0.0	-56.48	404.68	5.42	-51.06
CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1(C(=O)[O-])CCCC1	REAL300012513232	1	52	0.0	-80.56	387.46	6.50	-74.06
CC(C(=O)[O-])N(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CC1	REAL300012513233	1	49	0.0	-60.22	378.30	6.21	-54.01
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CC1	REAL300012513234	1	52	0.0	-59.63	399.76	7.37	-52.26
O=C([O-])C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1=CC=CC=C1F	REAL300012513235	1	49	0.0	-79.94	401.79	5.83	-74.11
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513236	1	53	0.0	-60.39	413.10	8.19	-52.20
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513237	1	58	0.0	-76.89	442.43	6.87	-70.02
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513238	1	55	0.0	-55.53	431.22	9.23	-46.30
CC1=CC=C(C(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C(=O)[O-])C=C1	REAL300012513239	1	52	0.0	-77.07	419.54	6.45	-70.62
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513240	1	45	0.0	-70.03	377.98	4.35	-65.68
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCSCC1	REAL300012513241	1	50	0.0	-76.16	389.26	5.57	-70.59
COCC(C)(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513242	1	49	0.0	-80.46	384.43	3.33	-77.13
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513243	1	52	0.0	-70.05	404.60	5.18	-64.87
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513244	1	51	0.0	-57.43	396.13	6.76	-50.67
O=C([O-])CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CC1	REAL300012513245	1	46	0.0	-76.55	364.83	5.91	-70.64
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513246	1	48	0.0	-57.29	399.60	6.62	-50.67
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCOC1	REAL300012513247	1	47	0.0	-73.56	367.69	2.16	-71.40
O=C([O-])C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CCCCC1	REAL300012513248	1	55	0.0	-77.40	415.11	5.95	-71.45
CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(COC1CCC1)C(=O)[O-]	REAL300012513249	1	56	0.0	-71.28	430.72	6.48	-64.80
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCOCC1	REAL300012513250	1	50	0.0	-79.33	382.99	3.38	-75.95
C=CCCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513251	1	49	0.0	-75.36	396.12	5.06	-70.30
O=C([O-])C(CF)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513252	1	42	0.0	-61.72	343.83	2.66	-59.06
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513253	1	55	0.0	-46.86	422.52	9.36	-37.50
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513254	1	45	0.0	-70.74	352.56	4.63	-66.11
CCC(CC)(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513255	1	51	0.0	-77.26	382.58	4.93	-72.33
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513256	1	51	0.0	-54.52	392.97	7.02	-47.50
CCC(COC)(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513257	1	52	0.0	-81.84	400.87	4.24	-77.60
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513258	1	55	0.0	-72.90	425.31	5.83	-67.07
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513259	1	49	0.0	-72.68	392.82	5.23	-67.45
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513261	1	54	0.0	-71.26	411.37	7.16	-64.10
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513262	1	45	0.0	-75.30	374.40	3.95	-71.35
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513263	1	55	0.0	-85.20	412.17	7.87	-77.33
CCCN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(C)C(=O)[O-]	REAL300012513264	1	51	0.0	-48.80	387.96	7.08	-41.72
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513265	1	55	0.0	-60.71	423.81	8.26	-52.45
CCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012513266	1	55	0.0	-78.97	422.98	7.42	-71.55
O=C([O-])C(CCF)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513267	1	45	0.0	-71.92	368.64	3.80	-68.12
O=C([O-])CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CCOCC1	REAL300012513269	1	53	0.0	-56.48	404.68	5.42	-51.06
O=C([O-])CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CCCCC1	REAL300012513270	1	55	0.0	-56.78	413.70	7.76	-49.02
C[C@H]1CC[C@@](NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)(C(=O)[O-])CC1	REAL300012513271	1	55	0.0	-77.56	405.30	6.28	-71.28
CC(CCF)(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513272	1	48	0.0	-70.40	372.77	4.18	-66.22
O=C([O-])C1C2=C(CCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)OC=C2	REAL300012513273	1	50	0.0	-61.90	394.96	6.24	-55.66
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513274	1	46	0.0	-75.86	374.48	5.46	-70.40
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513275	1	45	0.0	-69.14	352.07	4.77	-64.37
CC1(C)CCCC(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)(C(=O)[O-])C1	REAL300012513276	1	58	0.0	-81.46	419.47	6.78	-74.68
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513277	1	47	0.0	-87.23	368.01	6.24	-80.99
COC1CN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C(C)(C(=O)[O-])C1	REAL300012513278	1	53	0.0	-79.80	410.71	5.17	-74.63
CC(C)(C)[C@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513280	1	51	0.0	-73.51	391.23	4.79	-68.72
C=C(Cl)CC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513281	1	46	0.0	-74.03	390.48	4.74	-69.29
C=C(C)CC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513282	1	49	0.0	-73.80	395.93	4.86	-68.94
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513283	1	50	0.0	-89.66	382.90	7.02	-82.64
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513284	1	46	0.0	-73.15	373.71	5.79	-67.36
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513285	1	46	0.0	-77.57	367.94	5.42	-72.15
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300012513286	1	47	0.0	-80.46	374.93	5.69	-74.77
CC(C)C[C@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513288	1	51	0.0	-73.00	400.42	5.10	-67.90
O=C([O-])C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1=CC=CC=C1	REAL300012513290	1	49	0.0	-77.29	398.22	5.74	-71.55
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513291	1	49	0.0	-72.68	392.82	5.23	-67.45
CC(C)CCCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513293	1	57	0.0	-75.55	443.87	6.56	-68.99
CSCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513295	1	46	0.0	-70.37	384.84	4.11	-66.26
CC[C@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513297	1	45	0.0	-72.84	361.21	3.68	-69.16
CCC(C)CC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513298	1	54	0.0	-73.81	418.98	5.62	-68.19
C=CCCCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513299	1	52	0.0	-72.91	417.85	5.77	-67.14
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513300	1	47	0.0	-82.48	371.62	6.63	-75.85
CC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012513301	1	52	0.0	-78.24	406.01	6.53	-71.71
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513302	1	46	0.0	-83.04	361.49	5.30	-77.74
CCCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513303	1	48	0.0	-75.63	383.31	4.50	-71.13
CC(C)[C@@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513304	1	48	0.0	-76.37	374.16	4.00	-72.37
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513305	1	50	0.0	-87.75	382.66	7.20	-80.55
CCN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(C)(C)C(=O)[O-]	REAL300012513306	1	51	0.0	-79.86	386.73	6.41	-73.45
CCCN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(C)C(=O)[O-]	REAL300012513307	1	51	0.0	-48.80	387.96	7.08	-41.72
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513308	1	45	0.0	-70.82	374.59	5.99	-64.83
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513309	1	45	0.0	-70.82	374.59	5.99	-64.83
CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(C)(C)C(=O)[O-]	REAL300012513310	1	48	0.0	-77.27	367.24	5.52	-71.75
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513311	1	46	0.0	-80.02	360.71	5.62	-74.40
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513312	1	47	0.0	-84.93	372.82	1.88	-83.05
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513313	1	53	0.0	-56.03	415.97	8.43	-47.60
CCC[C@@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513314	1	48	0.0	-75.38	383.23	4.53	-70.85
O=C([O-])[C@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1=CC=CC=C1	REAL300012513315	1	49	0.0	-76.88	397.98	5.82	-71.06
C=CCCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513317	1	49	0.0	-75.36	396.12	5.06	-70.30
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513319	1	49	0.0	-91.26	391.23	3.16	-88.10
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513321	1	49	0.0	-82.41	377.80	6.17	-76.24
CC(C)[C@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513322	1	48	0.0	-74.02	379.08	4.25	-69.77
O=C([O-])[C@@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1=CC=CC=C1	REAL300012513323	1	49	0.0	-74.93	398.18	5.73	-69.20
CC(CN1C=CC=N1)(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513324	1	52	0.0	-79.51	407.65	5.09	-74.42
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513325	1	45	0.0	-69.14	352.07	4.77	-64.37
CCC[C@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513326	1	48	0.0	-73.48	383.55	4.43	-69.05
CCN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(C)C(=O)[O-]	REAL300012513327	1	48	0.0	-70.38	369.87	5.58	-64.80
O=C([O-])CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CCCC1	REAL300012513328	1	52	0.0	-56.39	396.31	7.06	-49.33
CC(CN(C)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513329	1	48	0.0	-79.75	374.32	5.43	-74.32
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513330	1	51	0.0	-74.07	393.21	4.66	-69.41
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513331	1	48	0.0	-69.92	372.43	5.82	-64.10
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC(CO)C1	REAL300012513332	1	50	0.0	-81.17	395.44	1.67	-79.50
CC1CCC(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)(C(=O)[O-])C1	REAL300012513334	1	52	0.0	-80.11	398.05	5.44	-74.67
CC1(C)CCCC1(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513335	1	55	0.0	-77.92	407.50	6.17	-71.75
CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012513337	1	55	0.0	-74.08	429.04	8.61	-65.47
CC1(C)CC(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)(C(=O)[O-])C1	REAL300012513338	1	52	0.0	-81.76	399.60	6.09	-75.67
CC1(C(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C(=O)[O-])CC1	REAL300012513339	1	49	0.0	-78.59	385.65	5.03	-73.56
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513341	1	47	0.0	-89.57	372.69	2.08	-87.49
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513343	1	50	0.0	-84.71	382.60	6.74	-77.97
O=C([O-])C12COC(CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C2	REAL300012513344	1	48	0.0	-82.96	374.98	4.49	-78.47
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300012513345	1	52	0.0	-85.39	393.03	7.52	-77.87
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513346	1	55	0.0	-72.79	434.46	6.99	-65.80
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513347	1	56	0.0	-76.07	430.27	7.47	-68.60
O=C([O-])C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CCC1	REAL300012513348	1	49	0.0	-76.98	382.18	4.55	-72.43
O=C([O-])C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CCCCC1	REAL300012513349	1	55	0.0	-77.40	415.11	5.95	-71.45
O=C([O-])C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CCC1	REAL300012513350	1	49	0.0	-76.98	382.18	4.55	-72.43
CC1CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1C(=O)[O-]	REAL300012513351	1	49	0.0	-83.79	376.98	5.75	-78.04
C=CCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513352	1	46	0.0	-75.24	375.08	4.19	-71.05
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513354	1	56	0.0	-46.81	399.15	7.21	-39.60
CC1(C)CC(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)(C(=O)[O-])CCO1	REAL300012513355	1	56	0.0	-80.19	412.00	4.72	-75.47
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513356	1	50	0.0	-50.32	375.37	6.39	-43.93
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513357	1	56	0.0	-76.07	430.27	7.47	-68.60
COC1CC(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)(C(=O)[O-])C1	REAL300012513358	1	50	0.0	-83.40	396.64	3.35	-80.05
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC(F)(F)C1	REAL300012513359	1	46	0.0	-79.02	371.60	4.41	-74.61
CO[C@H]1C[C@](NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)(C(=O)[O-])C1	REAL300012513360	1	50	0.0	-76.14	395.04	3.68	-72.46
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513361	1	52	0.0	-84.97	390.67	7.13	-77.84
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513362	1	45	0.0	-70.03	377.98	4.35	-65.68
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)COC1	REAL300012513364	1	44	0.0	-74.60	354.00	1.42	-73.18
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513365	1	49	0.0	-74.88	411.49	5.77	-69.11
CC(C)C(C)(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513366	1	51	0.0	-74.66	382.92	4.73	-69.93
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513367	1	47	0.0	-86.33	368.00	6.82	-79.51
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513368	1	50	0.0	-84.56	383.97	6.37	-78.19
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513369	1	55	0.0	-60.71	423.81	8.26	-52.45
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513370	1	58	0.0	-76.89	442.43	6.87	-70.02
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513371	1	55	0.0	-74.61	443.45	7.45	-67.16
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513372	1	55	0.0	-76.73	443.21	7.52	-69.21
O=C([O-])C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CC2CCC1C2	REAL300012513373	1	56	0.0	-78.35	424.69	6.54	-71.81
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513374	1	58	0.0	-76.60	442.35	6.91	-69.69
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513375	1	58	0.0	-73.85	442.31	6.91	-66.94
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513376	1	56	0.0	-50.33	414.41	7.33	-43.00
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513377	1	56	0.0	-85.19	418.45	7.40	-77.79
C=CCSCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513378	1	50	0.0	-73.38	420.02	5.46	-67.92
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513379	1	51	0.0	-71.18	385.61	6.51	-64.67
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC(C(F)F)C1	REAL300012513381	1	49	0.0	-83.46	395.03	5.23	-78.23
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513383	1	46	0.0	-77.57	367.94	5.42	-72.15
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513384	1	48	0.0	-52.81	376.75	6.44	-46.37
CC1(C)CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1C(=O)[O-]	REAL300012513385	1	52	0.0	-81.79	393.12	6.54	-75.25
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513386	1	56	0.0	-85.36	414.77	8.20	-77.16
CC(C)CCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513387	1	54	0.0	-73.68	422.61	5.73	-67.95
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513388	1	53	0.0	-53.62	408.62	7.03	-46.59
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300012513390	1	50	0.0	-78.46	405.06	6.59	-71.87
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCCC2CC21	REAL300012513391	1	53	0.0	-79.83	397.39	6.53	-73.30
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCC2CC21	REAL300012513392	1	50	0.0	-79.46	384.54	5.61	-73.85
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC2(CCC2)C1	REAL300012513393	1	53	0.0	-79.95	405.80	6.00	-73.95
CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012513394	1	55	0.0	-74.57	430.99	8.78	-65.79
O=C([O-])C(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CCCC1	REAL300012513395	1	52	0.0	-77.29	398.25	5.19	-72.10
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513397	1	49	0.0	-77.52	376.11	4.96	-72.56
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513398	1	52	0.0	-57.56	418.97	8.49	-49.07
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300012513399	1	52	0.0	-50.68	394.03	6.24	-44.44
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513400	1	49	0.0	-82.55	382.94	6.71	-75.84
O=C([O-])C1N(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCC1(F)F	REAL300012513401	1	46	0.0	-83.71	372.48	5.73	-77.98
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513402	1	49	0.0	-74.25	410.46	5.62	-68.63
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513403	1	49	0.0	-72.99	389.99	6.26	-66.73
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513404	1	49	0.0	-74.25	410.46	5.62	-68.63
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513405	1	53	0.0	-85.45	399.65	6.97	-78.48
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513407	1	51	0.0	-71.26	394.51	6.48	-64.78
CC(C)(C)CC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513409	1	54	0.0	-76.70	412.98	6.06	-70.64
O=C([O-])C1(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC2=CC=CC=C2C1	REAL300012513411	1	53	0.0	-80.05	417.54	7.06	-72.99
C[C@H]1OCCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)[C@@H]1C(=O)[O-]	REAL300012513412	1	50	0.0	-82.92	383.75	5.17	-77.75
N#CCCC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300012513413	1	46	0.0	-73.97	382.90	4.17	-69.80
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513414	1	49	0.0	-58.82	400.63	6.63	-52.19
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300012513415	1	45	0.0	-70.74	352.56	4.63	-66.11
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300012513416	1	53	0.0	-76.78	415.11	5.64	-71.14
CC(C)C[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513417	0	54	0.0	-78.62	417.88	9.23	-69.39
C=CCOCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513418	0	53	0.0	-80.12	428.32	7.75	-72.37
C=CC(C)C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513419	0	52	0.0	-71.68	411.72	9.13	-62.55
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCOCC1	REAL300012513420	0	56	0.0	-81.85	423.93	7.71	-74.14
COC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C(C(=O)[O-])C1	REAL300012513421	0	56	0.0	-85.48	421.44	9.78	-75.70
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCCOC1	REAL300012513422	0	56	0.0	-72.69	426.17	7.78	-64.91
CC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C(C(=O)[O-])C1	REAL300012513423	0	55	0.0	-87.86	403.64	11.41	-76.45
CC1=CC(C(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C(=O)[O-])=CC=C1F	REAL300012513424	0	55	0.0	-76.03	442.31	10.63	-65.40
CC1=CC(C(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C(=O)[O-])=CC(C)=C1	REAL300012513425	0	58	0.0	-76.51	458.42	11.26	-65.25
CC1=CC=C(C(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C(=O)[O-])C=C1C	REAL300012513426	0	58	0.0	-80.95	456.25	11.24	-69.71
CC1=CC=CC(C(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C(=O)[O-])=C1C	REAL300012513427	0	58	0.0	-75.23	446.42	11.07	-64.16
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513428	0	51	0.0	-67.42	401.13	10.55	-56.87
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCC1	REAL300012513429	0	55	0.0	-60.15	411.90	10.84	-49.31
CCCN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(COC)C(=O)[O-]	REAL300012513430	0	58	0.0	-78.88	443.98	11.47	-67.41
CCCN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(CC)C(=O)[O-]	REAL300012513431	0	57	0.0	-75.69	428.23	11.59	-64.10
CC(C)C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513432	0	51	0.0	-73.85	393.81	8.30	-65.55
O=C([O-])C1CCCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513433	0	52	0.0	-87.52	389.51	11.05	-76.47
O=C([O-])C1CSCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513434	0	50	0.0	-82.25	389.33	10.90	-71.35
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCCCC1	REAL300012513435	0	55	0.0	-77.59	408.95	10.07	-67.52
O=C([O-])C1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513436	0	49	0.0	-85.12	378.19	9.78	-75.34
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCCC1	REAL300012513437	0	52	0.0	-83.72	393.85	8.94	-74.78
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCCCCC1	REAL300012513438	0	58	0.0	-78.29	416.88	10.85	-67.44
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513439	0	55	0.0	-75.11	440.13	10.99	-64.12
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513440	0	55	0.0	-67.67	438.63	12.79	-54.88
O=C([O-])[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1=CC=CC=C1	REAL300012513441	0	52	0.0	-75.27	415.33	10.02	-65.25
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1=CC=CC=C1	REAL300012513442	0	52	0.0	-79.95	417.83	10.03	-69.92
CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513443	0	48	0.0	-78.03	380.87	7.98	-70.05
CC(C)C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513444	0	51	0.0	-73.85	393.81	8.30	-65.55
CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513445	0	45	0.0	-72.77	357.82	8.80	-63.97
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513446	0	55	0.0	-75.11	440.13	10.99	-64.12
CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513447	0	45	0.0	-66.46	359.71	6.97	-59.49
CCC(C)C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513448	0	54	0.0	-79.82	416.68	9.17	-70.65
CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513449	0	45	0.0	-72.77	357.82	8.80	-63.97
O=C([O-])C1CCCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513450	0	52	0.0	-87.52	389.51	11.05	-76.47
CCCC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513451	0	54	0.0	-79.47	407.33	9.10	-70.37
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513452	0	51	0.0	-68.08	389.76	10.06	-58.02
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CC1	REAL300012513453	0	49	0.0	-80.09	378.37	9.97	-70.12
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513454	0	49	0.0	-67.15	392.44	10.35	-56.80
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513455	0	54	0.0	-66.91	415.54	10.85	-56.06
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513456	0	56	0.0	-86.42	429.40	13.03	-73.39
CC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513457	0	48	0.0	-63.90	372.45	7.34	-56.56
CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)(C(=O)[O-])C1CC1	REAL300012513458	0	52	0.0	-75.68	393.06	8.98	-66.70
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1=CC=CS1	REAL300012513459	0	49	0.0	-77.69	406.94	9.10	-68.59
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCCCC1	REAL300012513460	0	55	0.0	-77.59	408.95	10.07	-67.52
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513461	0	51	0.0	-68.08	389.76	10.06	-58.02
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513462	0	51	0.0	-67.42	401.13	10.55	-56.87
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513463	0	48	0.0	-72.83	379.63	9.78	-63.05
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513464	0	54	0.0	-79.42	410.66	8.83	-70.59
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCCC1	REAL300012513465	0	52	0.0	-83.72	393.85	8.94	-74.78
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513466	0	55	0.0	-64.91	445.04	12.86	-52.05
CCC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513467	0	51	0.0	-79.13	385.84	8.34	-70.79
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC2=CC=CC=C2C1	REAL300012513468	0	56	0.0	-77.80	433.54	11.12	-66.68
CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012513469	0	55	0.0	-81.01	425.66	10.82	-70.19
C[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513470	0	45	0.0	-66.51	357.59	6.85	-59.66
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513471	0	48	0.0	-72.83	379.63	9.78	-63.05
CCCCCCC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513472	0	63	0.0	-79.73	471.83	11.43	-68.30
CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012513473	0	58	0.0	-71.59	448.69	12.91	-58.68
C[C@@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513474	0	45	0.0	-64.75	359.87	6.95	-57.80
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1	REAL300012513475	0	46	0.0	-83.80	363.74	8.07	-75.73
O=C([O-])C1COCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513476	0	50	0.0	-81.70	380.31	8.34	-73.36
CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1(C(=O)[O-])CCCCC1	REAL300012513477	0	58	0.0	-85.24	418.19	11.39	-73.85
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CC1	REAL300012513478	0	49	0.0	-73.90	383.65	8.34	-65.56
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513479	0	58	0.0	-68.41	461.03	13.58	-54.83
CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012513480	0	55	0.0	-80.51	427.61	12.30	-68.21
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513481	0	52	0.0	-67.83	411.00	8.97	-58.86
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCC2=CC=CC=C21	REAL300012513482	0	56	0.0	-86.39	430.60	11.06	-75.33
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513483	0	49	0.0	-80.31	380.89	9.56	-70.75
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513484	0	52	0.0	-86.96	389.84	11.00	-75.96
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513485	0	48	0.0	-69.48	369.40	8.78	-60.70
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513486	0	49	0.0	-80.29	379.48	9.54	-70.75
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCC1	REAL300012513487	0	49	0.0	-83.74	380.66	8.56	-75.18
C=CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513488	0	49	0.0	-78.17	395.01	8.41	-69.76
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513489	0	52	0.0	-85.51	397.54	10.43	-75.08
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513490	0	55	0.0	-87.87	402.33	11.44	-76.43
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CC1	REAL300012513491	0	49	0.0	-73.90	383.65	8.34	-65.56
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513492	0	48	0.0	-73.64	371.79	9.04	-64.60
CCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513493	0	54	0.0	-78.00	423.87	9.52	-68.48
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513494	0	58	0.0	-68.41	461.03	13.58	-54.83
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513495	0	52	0.0	-85.47	395.31	10.32	-75.15
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCCC1	REAL300012513496	0	55	0.0	-67.04	415.96	11.36	-55.68
COCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513497	0	49	0.0	-79.90	393.07	6.19	-73.71
CCCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513498	0	57	0.0	-78.38	446.20	10.29	-68.09
CCC1CCC(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)(C(=O)[O-])CC1	REAL300012513499	0	61	0.0	-77.62	450.27	11.43	-66.19
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCOCC1	REAL300012513500	0	56	0.0	-67.39	422.14	9.59	-57.80
CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1(C(=O)[O-])CCCC1	REAL300012513501	0	55	0.0	-86.23	407.15	10.79	-75.44
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CC1	REAL300012513502	0	52	0.0	-69.31	390.50	10.07	-59.24
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CC1	REAL300012513503	0	55	0.0	-58.77	418.72	11.47	-47.30
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1=CC=CC=C1F	REAL300012513504	0	52	0.0	-84.86	419.74	10.09	-74.77
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513505	0	56	0.0	-62.38	432.78	12.47	-49.91
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513506	0	61	0.0	-79.13	459.55	11.14	-67.99
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513507	0	58	0.0	-66.23	450.81	13.41	-52.82
CC1=CC=C(C(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C(=O)[O-])C=C1	REAL300012513508	0	55	0.0	-75.33	436.77	10.70	-64.63
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513509	0	48	0.0	-72.22	397.63	8.65	-63.57
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCSCC1	REAL300012513510	0	53	0.0	-73.82	408.92	9.87	-63.95
COCC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513511	0	52	0.0	-83.30	404.08	7.63	-75.67
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513512	0	55	0.0	-74.78	424.34	9.44	-65.34
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513513	0	54	0.0	-66.91	415.54	10.85	-56.06
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CC1	REAL300012513514	0	49	0.0	-80.09	378.37	9.97	-70.12
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513515	0	51	0.0	-67.01	419.26	10.93	-56.08
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCOC1	REAL300012513516	0	50	0.0	-73.91	384.94	6.38	-67.53
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCCCC1	REAL300012513517	0	58	0.0	-74.82	434.77	10.25	-64.57
CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(COC1CCC1)C(=O)[O-]	REAL300012513518	0	59	0.0	-76.04	448.35	10.75	-65.29
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCOCC1	REAL300012513519	0	53	0.0	-81.99	400.36	7.58	-74.41
C=CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513520	0	52	0.0	-77.94	416.01	9.29	-68.65
O=C([O-])C(CF)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513521	0	45	0.0	-64.15	363.32	6.98	-57.17
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513522	0	58	0.0	-55.91	446.99	13.61	-42.30
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513523	0	48	0.0	-73.64	371.79	9.04	-64.60
CCC(CC)(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513524	0	54	0.0	-75.18	402.22	9.23	-65.95
COC1=CC=C(C(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C(=O)[O-])C=C1	REAL300012513525	0	56	0.0	-79.31	447.33	9.33	-69.98
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513526	0	54	0.0	-66.07	412.71	11.28	-54.79
CCC(COC)(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513527	0	55	0.0	-84.89	420.76	8.53	-76.36
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513528	0	58	0.0	-74.97	444.11	10.10	-64.87
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513529	0	52	0.0	-78.31	411.03	9.42	-68.89
COCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513530	0	52	0.0	-78.46	415.37	7.02	-71.44
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513531	0	57	0.0	-74.85	429.98	11.31	-63.54
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513532	0	48	0.0	-73.05	391.48	8.50	-64.55
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513533	0	58	0.0	-82.55	430.02	12.31	-70.24
CCCN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(C)C(=O)[O-]	REAL300012513534	0	54	0.0	-69.53	411.36	10.61	-58.92
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513535	0	58	0.0	-54.61	450.17	13.83	-40.78
CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012513536	0	58	0.0	-77.53	442.63	11.72	-65.81
O=C([O-])C(CCF)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513537	0	48	0.0	-76.44	387.46	8.13	-68.31
COC1(CC(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C(=O)[O-])CCC1	REAL300012513538	0	59	0.0	-75.62	450.92	8.94	-66.68
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCOCC1	REAL300012513539	0	56	0.0	-67.39	422.14	9.59	-57.80
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCCCC1	REAL300012513540	0	58	0.0	-58.57	431.08	11.96	-46.61
C[C@H]1CC[C@@](NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)(C(=O)[O-])CC1	REAL300012513541	0	58	0.0	-83.67	422.68	10.45	-73.22
COC1=CC=CC(C(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C(=O)[O-])=C1	REAL300012513542	0	56	0.0	-81.72	446.73	9.35	-72.37
CC(CCF)(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513543	0	51	0.0	-75.87	392.43	8.48	-67.39
O=C([O-])C1C2=C(CCN1C(=O)NCC1=CC=CC(C[NH+]3CCCC3)=C1)OC=C2	REAL300012513544	0	53	0.0	-64.30	412.92	10.56	-53.74
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513545	0	49	0.0	-77.51	392.49	9.68	-67.83
COC1=CC=CC([C@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C(=O)[O-])=C1	REAL300012513546	0	56	0.0	-81.65	444.45	9.25	-72.40
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513547	0	48	0.0	-73.59	369.51	8.94	-64.65
CC1(C)CCCC(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)(C(=O)[O-])C1	REAL300012513548	0	61	0.0	-78.71	436.85	10.95	-67.76
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513549	0	50	0.0	-85.63	383.23	10.42	-75.21
COC1CN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C(C)(C(=O)[O-])C1	REAL300012513550	0	56	0.0	-79.27	430.85	9.40	-69.87
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513551	0	59	0.0	-73.47	450.58	8.76	-64.71
CC(C)(C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513552	0	54	0.0	-79.78	410.21	8.98	-70.80
C=C(Cl)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513553	0	49	0.0	-78.38	410.14	9.04	-69.34
C=C(C)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513554	0	52	0.0	-78.27	414.45	9.17	-69.10
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513555	0	53	0.0	-87.65	397.97	11.25	-76.40
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513556	0	49	0.0	-77.10	393.09	10.04	-67.06
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513557	0	49	0.0	-82.61	385.24	9.92	-72.69
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300012513558	0	50	0.0	-85.37	392.93	9.91	-75.46
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513559	0	59	0.0	-74.43	450.88	8.68	-65.75
CC(C)C[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513560	0	54	0.0	-78.62	417.88	9.23	-69.39
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCOCC1	REAL300012513561	0	56	0.0	-81.85	423.93	7.71	-74.14
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1=CC=CC=C1	REAL300012513562	0	52	0.0	-79.95	417.83	10.03	-69.92
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513563	0	52	0.0	-78.31	411.03	9.42	-68.89
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513564	0	51	0.0	-73.97	424.59	8.02	-65.95
CC(C)CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513565	0	60	0.0	-78.44	463.77	10.80	-67.64
O=C([O-])C(CC1CCCO1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513566	0	56	0.0	-78.24	435.61	8.25	-69.99
CSCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513567	0	49	0.0	-75.25	404.49	8.41	-66.84
COC[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513568	0	49	0.0	-79.96	391.14	6.15	-73.81
CC[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513569	0	48	0.0	-78.35	379.42	7.87	-70.48
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513570	0	55	0.0	-72.51	444.02	11.01	-61.50
CCC(C)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513571	0	57	0.0	-78.99	438.63	9.92	-69.07
C=CCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513572	0	55	0.0	-77.59	436.68	10.08	-67.51
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513573	0	55	0.0	-77.58	444.20	10.94	-66.64
O=C([O-])C1CSCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513574	0	50	0.0	-82.25	389.33	10.90	-71.35
CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012513575	0	55	0.0	-81.01	425.66	10.82	-70.19
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513576	0	49	0.0	-80.31	380.89	9.56	-70.75
CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513577	0	51	0.0	-77.97	402.37	8.74	-69.23
CC(C)[C@@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513578	0	51	0.0	-73.76	396.46	8.44	-65.32
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513579	0	53	0.0	-90.30	399.78	11.32	-78.98
CCN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(C)(C)C(=O)[O-]	REAL300012513580	0	54	0.0	-77.45	406.38	10.73	-66.72
CCCN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(C)C(=O)[O-]	REAL300012513581	0	54	0.0	-69.53	411.36	10.61	-58.92
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513582	0	48	0.0	-69.30	394.25	10.29	-59.01
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513583	0	48	0.0	-69.30	394.25	10.29	-59.01
CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(C)(C)C(=O)[O-]	REAL300012513584	0	51	0.0	-77.35	386.93	9.85	-67.50
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513585	0	49	0.0	-80.29	379.48	9.54	-70.75
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513586	0	50	0.0	-87.28	390.76	6.13	-81.15
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513587	0	56	0.0	-66.47	432.46	12.82	-53.65
CCC[C@@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513588	0	51	0.0	-72.85	400.68	8.69	-64.16
O=C([O-])[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1=CC=CC=C1	REAL300012513589	0	52	0.0	-75.27	415.33	10.02	-65.25
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513590	0	57	0.0	-74.88	457.99	9.99	-64.89
C=CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513591	0	52	0.0	-77.94	416.01	9.29	-68.65
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513592	0	51	0.0	-76.00	426.41	8.04	-67.96
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513593	0	52	0.0	-91.79	410.96	7.43	-84.36
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1=O	REAL300012513594	0	53	0.0	-77.37	406.44	9.03	-68.34
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513595	0	52	0.0	-85.36	395.26	10.33	-75.03
CC(C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513596	0	51	0.0	-78.77	392.11	8.19	-70.58
O=C([O-])[C@@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1=CC=CC=C1	REAL300012513597	0	52	0.0	-79.90	415.55	9.94	-69.96
CC(CN1C=CC=N1)(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513598	0	55	0.0	-77.76	425.03	9.27	-68.49
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513599	0	48	0.0	-73.59	369.51	8.94	-64.65
CCC[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513600	0	51	0.0	-77.97	402.37	8.74	-69.23
CCN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(C)C(=O)[O-]	REAL300012513601	0	51	0.0	-69.33	388.90	9.71	-59.62
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCCC1	REAL300012513602	0	55	0.0	-67.04	415.96	11.36	-55.68
CC(CN(C)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513603	0	51	0.0	-74.34	392.93	9.47	-64.87
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513604	0	54	0.0	-79.42	410.66	8.83	-70.59
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513605	0	51	0.0	-74.21	389.80	10.02	-64.19
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC(CO)C1	REAL300012513606	0	53	0.0	-79.78	412.81	5.86	-73.92
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513607	0	61	0.0	-81.63	462.87	9.12	-72.51
CC1CCC(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)(C(=O)[O-])C1	REAL300012513608	0	55	0.0	-78.16	415.49	9.60	-68.56
CC1(C)CCCC1(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513609	0	58	0.0	-78.89	423.36	10.22	-68.67
COCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513610	0	52	0.0	-78.46	415.37	7.02	-71.44
CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012513611	0	58	0.0	-71.59	448.69	12.91	-58.68
CC1(C)CC(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)(C(=O)[O-])C1	REAL300012513612	0	55	0.0	-79.64	416.98	10.29	-69.35
CC1(C(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C(=O)[O-])CC1	REAL300012513613	0	52	0.0	-75.75	403.03	9.23	-66.52
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513614	0	61	0.0	-74.94	463.22	9.14	-65.80
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513615	0	50	0.0	-85.39	388.55	6.23	-79.16
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCOC1	REAL300012513616	0	53	0.0	-76.53	413.95	7.00	-69.53
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513617	0	53	0.0	-89.21	400.04	10.91	-78.30
O=C([O-])C12COC(CN1C(=O)NCC1=CC=CC(C[NH+]3CCCC3)=C1)C2	REAL300012513618	0	51	0.0	-83.75	392.34	8.67	-75.08
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300012513619	0	55	0.0	-87.18	412.71	11.75	-75.43
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513620	0	58	0.0	-79.36	455.02	11.31	-68.05
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513621	0	59	0.0	-73.18	447.66	11.67	-61.51
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCC1	REAL300012513622	0	52	0.0	-73.80	399.09	8.83	-64.97
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCCCC1	REAL300012513623	0	58	0.0	-74.82	434.77	10.25	-64.57
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCC1	REAL300012513624	0	52	0.0	-73.80	399.09	8.83	-64.97
CC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1C(=O)[O-]	REAL300012513625	0	52	0.0	-86.72	399.53	10.09	-76.63
C=CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513626	0	49	0.0	-78.17	395.01	8.41	-69.76
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513627	0	59	0.0	-73.41	451.65	9.61	-63.80
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513628	0	59	0.0	-65.15	425.47	11.57	-53.58
CC1(C)CC(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)(C(=O)[O-])CCO1	REAL300012513629	0	59	0.0	-77.21	429.46	8.88	-68.33
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513630	0	53	0.0	-67.38	401.54	10.78	-56.60
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513631	0	59	0.0	-73.18	447.66	11.67	-61.51
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513632	0	55	0.0	-75.78	444.00	11.01	-64.77
COC1CC(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)(C(=O)[O-])C1	REAL300012513633	0	53	0.0	-79.39	412.16	7.45	-71.94
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC(F)(F)C1	REAL300012513634	0	49	0.0	-77.01	391.26	8.71	-68.30
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)(C(=O)[O-])C1	REAL300012513635	0	53	0.0	-81.72	412.84	7.81	-73.91
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1(C(F)(F)F)CC1	REAL300012513636	0	52	0.0	-75.30	419.54	9.62	-65.68
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513637	0	55	0.0	-80.34	411.08	11.48	-68.86
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513638	0	48	0.0	-72.22	397.63	8.65	-63.57
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513639	0	56	0.0	-75.50	435.50	7.98	-67.52
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)COC1	REAL300012513640	0	47	0.0	-73.03	371.35	5.62	-67.41
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513641	0	52	0.0	-80.06	432.00	10.03	-70.03
CC(C)C(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513642	0	54	0.0	-74.59	400.76	8.96	-65.63
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513643	0	50	0.0	-86.11	385.14	10.95	-75.16
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513644	0	53	0.0	-81.78	403.43	10.65	-71.13
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513645	0	58	0.0	-54.61	450.17	13.83	-40.78
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513646	0	61	0.0	-79.13	459.55	11.14	-67.99
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513647	0	58	0.0	-78.98	462.27	11.78	-67.20
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513648	0	58	0.0	-73.99	460.58	11.72	-62.27
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CC2CCC1C2	REAL300012513649	0	59	0.0	-75.14	443.50	10.82	-64.32
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513650	0	61	0.0	-73.56	459.53	11.15	-62.41
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513651	0	61	0.0	-79.41	459.80	11.07	-68.34
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513652	0	59	0.0	-64.82	439.96	11.74	-53.08
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513653	0	59	0.0	-82.25	438.47	11.74	-70.51
C=CCSCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513654	0	53	0.0	-75.90	439.44	9.83	-66.07
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513655	0	54	0.0	-75.50	406.73	10.85	-64.65
COC1(C(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C(=O)[O-])CCC1	REAL300012513656	0	56	0.0	-75.67	429.30	7.63	-68.04
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC(C(F)F)C1	REAL300012513657	0	52	0.0	-86.52	412.38	9.41	-77.11
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513659	0	49	0.0	-82.61	385.24	9.92	-72.69
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513660	0	51	0.0	-66.17	393.73	10.55	-55.62
CC1(C)CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1C(=O)[O-]	REAL300012513661	0	55	0.0	-86.53	412.78	10.83	-75.70
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513662	0	59	0.0	-84.87	434.71	12.45	-72.42
CC(C)CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513663	0	57	0.0	-78.67	442.27	10.03	-68.64
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513664	0	56	0.0	-56.87	425.08	11.28	-45.59
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513665	0	56	0.0	-75.50	435.50	7.98	-67.52
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300012513666	0	53	0.0	-82.73	422.99	10.79	-71.94
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCCC2CC21	REAL300012513667	0	56	0.0	-77.51	417.49	10.46	-67.05
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCC2CC21	REAL300012513668	0	53	0.0	-85.01	401.91	9.81	-75.20
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC2(CCC2)C1	REAL300012513669	0	56	0.0	-78.15	423.18	10.20	-67.95
CN(C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012513670	0	58	0.0	-71.61	448.70	12.91	-58.70
O=C([O-])C1CC2(CN1C(=O)NCC1=CC=CC(C[NH+]3CCCC3)=C1)CCCCC2	REAL300012513671	0	62	0.0	-56.79	454.11	12.25	-44.54
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCCC1	REAL300012513672	0	55	0.0	-79.76	415.89	9.35	-70.41
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513673	0	52	0.0	-80.04	411.70	7.21	-72.83
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513674	0	52	0.0	-81.75	402.40	9.61	-72.14
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513675	0	55	0.0	-67.67	438.63	12.79	-54.88
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300012513676	0	55	0.0	-57.06	418.04	10.57	-46.49
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513677	0	52	0.0	-82.67	402.63	10.99	-71.68
O=C([O-])C1N(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCC1(F)F	REAL300012513678	0	49	0.0	-87.65	389.84	9.92	-77.73
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513679	0	55	0.0	-75.78	444.00	11.01	-64.77
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513680	0	52	0.0	-73.14	428.44	9.88	-63.26
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513681	0	52	0.0	-76.99	407.37	10.45	-66.54
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513682	0	52	0.0	-73.14	428.44	9.88	-63.26
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513683	0	56	0.0	-82.78	417.48	10.92	-71.86
COCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513684	0	55	0.0	-77.19	436.04	7.81	-69.38
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513685	0	54	0.0	-74.72	413.62	10.74	-63.98
CCOCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513686	0	52	0.0	-80.35	414.93	7.17	-73.18
CC(C)(C)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513687	0	57	0.0	-73.47	432.29	10.42	-63.05
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CCCCO1	REAL300012513688	0	56	0.0	-81.87	432.94	8.52	-73.35
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC2=CC=CC=C2C1	REAL300012513689	0	56	0.0	-77.80	433.54	11.12	-66.68
C[C@H]1OCCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)[C@@H]1C(=O)[O-]	REAL300012513690	0	53	0.0	-85.07	402.61	9.44	-75.63
N#CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300012513691	0	49	0.0	-79.04	402.55	8.46	-70.58
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513692	0	52	0.0	-68.27	418.01	10.83	-57.44
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300012513693	0	48	0.0	-69.48	369.40	8.78	-60.70
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300012513694	0	56	0.0	-81.05	434.17	9.91	-71.14
CC(C)C[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513695	1	55	0.0	-81.51	426.51	7.63	-73.88
C=CCOCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513696	1	54	0.0	-82.90	434.68	6.02	-76.88
C=CC(C)C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513697	1	53	0.0	-75.65	419.60	7.38	-68.27
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCOCC1	REAL300012513698	1	57	0.0	-85.23	433.14	6.01	-79.22
COC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C(C(=O)[O-])C1	REAL300012513699	1	57	0.0	-88.45	430.08	8.14	-80.31
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCCOC1	REAL300012513700	1	57	0.0	-74.78	431.93	6.12	-68.66
CC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C(C(=O)[O-])C1	REAL300012513701	1	56	0.0	-90.89	412.28	9.77	-81.12
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513702	1	52	0.0	-69.92	407.49	8.80	-61.12
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCC1	REAL300012513703	1	56	0.0	-63.01	420.53	9.20	-53.81
CCCN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(COC)C(=O)[O-]	REAL300012513704	1	59	0.0	-81.77	450.35	9.73	-72.04
CCCN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(CC)C(=O)[O-]	REAL300012513705	1	58	0.0	-79.18	434.54	9.82	-69.36
CC(C)C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513706	1	52	0.0	-76.87	405.10	6.81	-70.06
O=C([O-])C1CCCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513707	1	53	0.0	-90.51	398.15	9.41	-81.10
O=C([O-])C1CSCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513708	1	51	0.0	-85.26	397.97	9.26	-76.00
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCCCC1	REAL300012513709	1	56	0.0	-80.63	417.57	8.43	-72.20
O=C([O-])C1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513710	1	50	0.0	-88.02	386.83	8.14	-79.88
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCCC1	REAL300012513711	1	53	0.0	-80.76	403.06	7.33	-73.43
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCCCCC1	REAL300012513712	1	59	0.0	-81.22	423.23	9.11	-72.11
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513713	1	56	0.0	-78.16	446.49	9.25	-68.91
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513714	1	56	0.0	-70.20	444.98	11.05	-59.15
O=C([O-])CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513715	1	43	0.0	-67.88	345.44	4.37	-63.51
O=C([O-])[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1=CC=CC=C1	REAL300012513716	1	53	0.0	-78.70	424.23	8.30	-70.40
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1=CC=CC=C1	REAL300012513717	1	53	0.0	-82.71	424.19	8.29	-74.42
CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513718	1	49	0.0	-81.22	388.06	6.22	-75.00
CC(C)C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513719	1	52	0.0	-76.87	405.10	6.81	-70.06
CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513720	1	46	0.0	-75.79	364.18	7.06	-68.73
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513721	1	56	0.0	-78.16	446.49	9.25	-68.91
CC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513722	1	46	0.0	-67.64	366.23	5.20	-62.44
CCC(C)C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513723	1	55	0.0	-80.73	420.26	7.39	-73.34
CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513724	1	46	0.0	-75.79	364.18	7.06	-68.73
O=C([O-])C1CCCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513725	1	53	0.0	-90.51	398.15	9.41	-81.10
CCCC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513726	1	55	0.0	-82.25	413.69	7.36	-74.89
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513727	1	52	0.0	-70.57	396.11	8.32	-62.25
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CC1	REAL300012513728	1	50	0.0	-76.51	390.93	8.43	-68.08
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513729	1	50	0.0	-69.71	398.80	8.60	-61.11
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513730	1	55	0.0	-69.38	421.90	9.11	-60.27
CC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513731	1	49	0.0	-66.78	378.81	5.60	-61.18
CC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)(C(=O)[O-])C1CC1	REAL300012513732	1	53	0.0	-78.56	401.68	7.35	-71.21
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1=CC=CS1	REAL300012513733	1	50	0.0	-80.56	415.58	7.45	-73.11
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCCCC1	REAL300012513734	1	56	0.0	-80.63	417.57	8.43	-72.20
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513735	1	52	0.0	-70.57	396.11	8.32	-62.25
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513736	1	52	0.0	-69.92	407.49	8.80	-61.12
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513737	1	49	0.0	-75.79	385.99	8.04	-67.75
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513738	1	55	0.0	-82.34	419.30	7.19	-75.15
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCCC1	REAL300012513739	1	53	0.0	-80.76	403.06	7.33	-73.43
CCC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513740	1	52	0.0	-81.88	392.20	6.60	-75.28
CC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012513741	1	56	0.0	-83.81	432.02	9.07	-74.74
C[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513742	1	46	0.0	-69.33	366.05	5.23	-64.10
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513743	1	49	0.0	-75.79	385.99	8.04	-67.75
C[C@@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513744	1	46	0.0	-67.68	366.22	5.20	-62.48
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC1	REAL300012513745	1	47	0.0	-83.42	372.38	6.43	-76.99
O=C([O-])C1COCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513746	1	51	0.0	-85.88	389.31	6.74	-79.14
CN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1(C(=O)[O-])CCCCC1	REAL300012513747	1	59	0.0	-81.80	426.83	9.75	-72.05
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CC1	REAL300012513748	1	50	0.0	-77.72	394.43	6.72	-71.00
CN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012513749	1	56	0.0	-88.01	434.62	9.85	-78.16
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513750	1	53	0.0	-70.48	417.36	7.23	-63.25
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513751	1	50	0.0	-88.15	387.60	7.81	-80.34
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513752	1	53	0.0	-89.47	397.90	9.30	-80.17
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513753	1	49	0.0	-72.51	378.04	7.14	-65.37
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513754	1	50	0.0	-82.61	387.55	7.84	-74.77
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCC1	REAL300012513755	1	50	0.0	-86.65	389.30	6.92	-79.73
C=CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513756	1	50	0.0	-80.90	401.37	6.67	-74.23
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513757	1	53	0.0	-88.36	403.88	8.69	-79.67
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513758	1	56	0.0	-90.78	410.97	9.79	-80.99
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CC1	REAL300012513759	1	50	0.0	-77.72	394.43	6.72	-71.00
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513760	1	49	0.0	-76.47	378.01	7.23	-69.24
CCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513761	1	55	0.0	-81.16	431.06	7.77	-73.39
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513762	1	53	0.0	-88.35	403.96	8.68	-79.67
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCCC1	REAL300012513763	1	56	0.0	-69.55	422.31	9.61	-59.94
COCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513764	1	50	0.0	-82.88	399.92	4.47	-78.41
CCCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513765	1	58	0.0	-81.19	452.56	8.55	-72.64
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCOCC1	REAL300012513766	1	57	0.0	-69.94	430.77	7.95	-61.99
CN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1(C(=O)[O-])CCCC1	REAL300012513767	1	56	0.0	-88.99	413.51	9.04	-79.95
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CC1	REAL300012513768	1	53	0.0	-70.18	404.43	8.62	-61.56
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CC1	REAL300012513769	1	56	0.0	-61.58	425.08	9.73	-51.85
CC1=CC=C(C(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C(=O)[O-])C=C1	REAL300012513770	1	56	0.0	-78.74	445.65	8.97	-69.77
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513771	1	49	0.0	-74.57	403.16	6.95	-67.62
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCSCC1	REAL300012513772	1	54	0.0	-76.73	415.27	8.13	-68.60
COCC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513773	1	53	0.0	-86.02	410.44	5.89	-80.13
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513774	1	56	0.0	-77.65	430.70	7.70	-69.95
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513775	1	55	0.0	-69.38	421.90	9.11	-60.27
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CC1	REAL300012513776	1	50	0.0	-76.51	390.93	8.43	-68.08
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCOC1	REAL300012513777	1	51	0.0	-76.83	393.58	4.74	-72.09
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCCCC1	REAL300012513778	1	59	0.0	-78.64	441.79	8.43	-70.21
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCOCC1	REAL300012513779	1	54	0.0	-79.56	409.00	5.95	-73.61
C=CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513780	1	53	0.0	-80.38	421.54	7.56	-72.82
O=C([O-])C(CF)NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513781	1	46	0.0	-67.09	369.85	5.22	-61.87
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513782	1	49	0.0	-76.47	378.01	7.23	-69.24
CCC(CC)(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513783	1	55	0.0	-78.17	408.58	7.49	-70.68
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513784	1	55	0.0	-68.66	419.07	9.54	-59.12
CCC(COC)(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513785	1	56	0.0	-87.62	427.12	6.78	-80.84
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513786	1	59	0.0	-77.81	450.47	8.36	-69.45
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513787	1	53	0.0	-80.98	419.42	7.84	-73.14
COCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513788	1	53	0.0	-80.95	420.90	5.30	-75.65
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513789	1	58	0.0	-77.73	436.34	9.57	-68.16
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513790	1	49	0.0	-76.29	398.68	6.75	-69.54
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513791	1	59	0.0	-85.52	438.65	10.65	-74.87
CCCN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(C)C(=O)[O-]	REAL300012513792	1	55	0.0	-72.58	417.72	8.87	-63.71
O=C([O-])C(CCF)NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513793	1	49	0.0	-79.33	393.82	6.39	-72.94
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCOCC1	REAL300012513794	1	57	0.0	-69.94	430.77	7.95	-61.99
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCCCC1	REAL300012513795	1	59	0.0	-69.91	439.71	10.32	-59.59
C[C@H]1CC[C@@](NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)(C(=O)[O-])CC1	REAL300012513796	1	59	0.0	-86.25	431.38	8.81	-77.44
CC(CCF)(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513797	1	52	0.0	-78.65	398.79	6.73	-71.92
O=C([O-])C1C2=C(CCN1C(=O)NCC1=CC=CC(C[NH+]3CCOCC3)=C1)OC=C2	REAL300012513798	1	54	0.0	-67.18	421.55	8.91	-58.27
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513799	1	50	0.0	-80.14	400.57	7.98	-72.16
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513800	1	49	0.0	-76.46	378.00	7.23	-69.23
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513801	1	51	0.0	-88.62	391.86	8.78	-79.84
COC1CN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C(C)(C(=O)[O-])C1	REAL300012513802	1	57	0.0	-82.32	437.20	7.66	-74.66
CC(C)(C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513803	1	55	0.0	-82.67	418.85	7.34	-75.33
C=C(Cl)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513804	1	50	0.0	-81.26	416.49	7.30	-73.96
C=C(C)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513805	1	53	0.0	-81.44	421.91	7.41	-74.03
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513806	1	54	0.0	-90.59	406.61	9.61	-80.98
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513807	1	50	0.0	-75.50	399.80	8.29	-67.21
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513808	1	50	0.0	-85.46	393.31	8.23	-77.23
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300012513809	1	51	0.0	-88.26	400.99	8.22	-80.04
CC(C)C[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513810	1	55	0.0	-81.51	426.51	7.63	-73.88
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCOCC1	REAL300012513811	1	57	0.0	-85.23	433.14	6.01	-79.22
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1=CC=CC=C1	REAL300012513812	1	53	0.0	-82.71	424.19	8.29	-74.42
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513813	1	53	0.0	-80.98	419.42	7.84	-73.14
CC(C)CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513814	1	61	0.0	-81.22	470.12	9.06	-72.16
O=C([O-])C(CC1CCCO1)NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513815	1	57	0.0	-81.33	444.25	6.61	-74.72
CSCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513816	1	50	0.0	-78.52	411.53	6.64	-71.88
COC[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513817	1	50	0.0	-82.84	399.92	4.47	-78.37
CC[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513818	1	49	0.0	-81.24	388.06	6.22	-75.02
CCC(C)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513819	1	58	0.0	-81.78	444.99	8.18	-73.60
C=CCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513820	1	56	0.0	-80.33	443.04	8.34	-71.99
O=C([O-])C1CSCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513821	1	51	0.0	-85.26	397.97	9.26	-76.00
CC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012513822	1	56	0.0	-83.81	432.02	9.07	-74.74
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513823	1	50	0.0	-88.15	387.60	7.81	-80.34
CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513824	1	52	0.0	-81.22	409.56	6.99	-74.23
CC(C)[C@@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513825	1	52	0.0	-75.72	403.18	6.83	-68.89
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513826	1	54	0.0	-93.20	408.46	9.68	-83.52
CCN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(C)(C)C(=O)[O-]	REAL300012513827	1	55	0.0	-80.29	412.74	8.98	-71.31
CCCN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(C)C(=O)[O-]	REAL300012513828	1	55	0.0	-72.58	417.72	8.87	-63.71
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513829	1	49	0.0	-72.36	400.61	8.55	-63.81
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513830	1	49	0.0	-72.36	400.61	8.55	-63.81
CN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(C)(C)C(=O)[O-]	REAL300012513831	1	52	0.0	-80.28	393.29	8.11	-72.17
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513832	1	50	0.0	-82.61	387.55	7.84	-74.77
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513833	1	51	0.0	-90.67	400.23	4.32	-86.35
CCC[C@@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513834	1	52	0.0	-76.37	409.56	7.00	-69.37
O=C([O-])[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1=CC=CC=C1	REAL300012513835	1	53	0.0	-78.70	424.23	8.30	-70.40
C=CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513836	1	53	0.0	-80.38	421.54	7.56	-72.82
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC1=O	REAL300012513837	1	54	0.0	-80.28	415.08	7.39	-72.89
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513838	1	53	0.0	-82.75	403.92	8.69	-74.06
CC(C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513839	1	52	0.0	-80.22	402.23	6.76	-73.46
O=C([O-])[C@@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1=CC=CC=C1	REAL300012513840	1	53	0.0	-82.72	424.18	8.30	-74.42
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513841	1	49	0.0	-76.46	378.00	7.23	-69.23
CCC[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513842	1	52	0.0	-80.79	408.72	7.00	-73.79
CCN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(C)C(=O)[O-]	REAL300012513843	1	52	0.0	-78.11	396.90	8.16	-69.95
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCCC1	REAL300012513844	1	56	0.0	-69.55	422.31	9.61	-59.94
CC(CN(C)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513845	1	52	0.0	-77.43	399.29	7.73	-69.70
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513846	1	55	0.0	-82.34	419.30	7.19	-75.15
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513847	1	52	0.0	-77.10	398.43	8.38	-68.72
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC(CO)C1	REAL300012513848	1	54	0.0	-91.53	419.73	4.12	-87.41
CC1CCC(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)(C(=O)[O-])C1	REAL300012513849	1	56	0.0	-81.12	424.13	7.96	-73.16
CC1(C)CCCC1(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513850	1	59	0.0	-81.88	432.00	8.58	-73.30
COCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513851	1	53	0.0	-80.95	420.90	5.30	-75.65
CC1(C)CC(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)(C(=O)[O-])C1	REAL300012513852	1	56	0.0	-82.62	425.62	8.65	-73.97
CC1(C(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C(=O)[O-])CC1	REAL300012513853	1	53	0.0	-77.92	409.51	7.57	-70.35
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513854	1	51	0.0	-88.92	397.51	4.62	-84.30
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCOC1	REAL300012513855	1	54	0.0	-79.61	420.28	5.28	-74.33
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513856	1	54	0.0	-92.10	408.68	9.27	-82.83
O=C([O-])C12COC(CN1C(=O)NCC1=CC=CC(C[NH+]3CCOCC3)=C1)C2	REAL300012513857	1	52	0.0	-86.68	400.98	7.03	-79.65
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300012513858	1	56	0.0	-89.96	419.08	10.02	-79.94
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCC1	REAL300012513859	1	53	0.0	-77.47	408.19	7.11	-70.36
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCCCC1	REAL300012513860	1	59	0.0	-78.64	441.79	8.43	-70.21
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCC1	REAL300012513861	1	53	0.0	-77.47	408.19	7.11	-70.36
CC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1C(=O)[O-]	REAL300012513862	1	53	0.0	-84.09	403.00	8.30	-75.79
C=CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513863	1	50	0.0	-80.90	401.37	6.67	-74.23
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513864	1	54	0.0	-69.34	409.61	9.15	-60.19
COC1CC(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)(C(=O)[O-])C1	REAL300012513865	1	54	0.0	-84.01	422.65	5.90	-78.11
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC(F)(F)C1	REAL300012513866	1	50	0.0	-79.85	397.61	6.96	-72.89
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)(C(=O)[O-])C1	REAL300012513867	1	54	0.0	-82.24	420.79	5.80	-76.44
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513868	1	56	0.0	-83.37	419.71	9.83	-73.54
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513869	1	49	0.0	-74.57	403.16	6.95	-67.62
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513870	1	57	0.0	-78.57	441.86	6.24	-72.33
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)COC1	REAL300012513871	1	48	0.0	-76.07	380.01	3.98	-72.09
CC(C)C(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513872	1	55	0.0	-77.54	407.12	7.21	-70.33
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513873	1	51	0.0	-90.31	394.09	9.32	-80.99
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513874	1	54	0.0	-90.01	410.01	8.71	-81.30
C=CCSCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513875	1	54	0.0	-78.72	445.81	8.09	-70.63
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513876	1	55	0.0	-79.08	413.09	9.09	-69.99
COC1(C(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C(=O)[O-])CCC1	REAL300012513877	1	57	0.0	-78.50	434.98	5.86	-72.64
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC(C(F)F)C1	REAL300012513878	1	53	0.0	-89.41	421.02	7.77	-81.64
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513880	1	50	0.0	-85.46	393.31	8.23	-77.23
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513881	1	52	0.0	-68.96	402.90	8.96	-60.00
CC1(C)CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1C(=O)[O-]	REAL300012513882	1	56	0.0	-89.30	419.14	9.09	-80.21
CC(C)CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513883	1	58	0.0	-80.96	447.79	8.30	-72.66
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513884	1	57	0.0	-59.70	433.69	9.63	-50.07
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513885	1	57	0.0	-78.57	441.86	6.24	-72.33
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300012513886	1	54	0.0	-85.50	429.90	9.30	-76.20
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCCC2CC21	REAL300012513887	1	57	0.0	-80.52	426.14	8.82	-71.70
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCC2CC21	REAL300012513888	1	54	0.0	-87.84	410.56	8.17	-79.67
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC2(CCC2)C1	REAL300012513889	1	57	0.0	-81.10	431.81	8.56	-72.54
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCCC1	REAL300012513890	1	56	0.0	-82.68	424.53	7.71	-74.97
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513891	1	53	0.0	-82.80	418.05	5.47	-77.33
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513892	1	53	0.0	-87.77	411.06	7.95	-79.82
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513893	1	56	0.0	-70.20	444.98	11.05	-59.15
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300012513894	1	56	0.0	-59.68	426.64	8.93	-50.75
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513895	1	53	0.0	-85.60	408.99	9.25	-76.35
O=C([O-])C1N(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCC1(F)F	REAL300012513896	1	50	0.0	-90.59	398.48	8.28	-82.31
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513897	1	53	0.0	-79.86	416.01	8.81	-71.05
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513898	1	57	0.0	-85.71	425.56	9.23	-76.48
COCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513899	1	56	0.0	-79.96	442.40	6.07	-73.89
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513900	1	55	0.0	-77.56	419.98	9.00	-68.56
CCOCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513901	1	53	0.0	-83.27	421.77	5.44	-77.83
CC(C)(C)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513902	1	58	0.0	-76.89	438.90	8.62	-68.27
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CCCCO1	REAL300012513903	1	57	0.0	-84.71	439.29	6.78	-77.93
C[C@H]1OCCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)[C@@H]1C(=O)[O-]	REAL300012513904	1	54	0.0	-86.79	409.54	7.71	-79.08
N#CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300012513905	1	50	0.0	-81.52	408.08	6.74	-74.78
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513906	1	53	0.0	-70.88	426.66	9.19	-61.69
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300012513907	1	49	0.0	-72.51	378.04	7.14	-65.37
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300012513908	1	57	0.0	-79.45	441.13	8.17	-71.28
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300012513909	0	56	0.0	-77.63	429.46	9.51	-68.12
C=CCOCC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012513910	0	55	0.0	-78.91	431.67	7.59	-71.32
C=CC(C)C(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012513911	0	54	0.0	-71.02	421.36	9.29	-61.73
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300012513912	0	58	0.0	-80.86	435.85	7.98	-72.88
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(OC)CC2C(=O)[O-])=C1	REAL300012513913	0	58	0.0	-83.97	433.38	10.06	-73.91
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)=C1	REAL300012513914	0	58	0.0	-71.35	429.50	7.61	-63.74
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)CC2C(=O)[O-])=C1	REAL300012513915	0	57	0.0	-86.28	415.72	11.73	-74.55
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012513916	0	60	0.0	-75.50	470.10	11.61	-63.89
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=C1	REAL300012513917	0	60	0.0	-79.60	459.63	11.07	-68.53
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)=C1	REAL300012513918	0	60	0.0	-74.35	454.09	11.00	-63.35
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1	REAL300012513919	0	53	0.0	-66.55	410.77	10.71	-55.84
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)=C1	REAL300012513920	0	57	0.0	-64.24	412.99	11.46	-52.78
CCCN(C(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(COC)C(=O)[O-]	REAL300012513921	0	60	0.0	-77.49	447.44	11.29	-66.20
CCCN(C(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(CC)C(=O)[O-]	REAL300012513922	0	59	0.0	-74.35	431.63	11.41	-62.94
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300012513923	0	53	0.0	-72.63	402.09	8.36	-64.27
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCCCC2C(=O)[O-])=C1	REAL300012513924	0	54	0.0	-85.93	401.58	11.37	-74.56
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCSCC2C(=O)[O-])=C1	REAL300012513925	0	52	0.0	-80.89	393.09	10.76	-70.13
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300012513926	0	57	0.0	-76.36	414.58	10.00	-66.36
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCCC2C(=O)[O-])=C1	REAL300012513927	0	51	0.0	-83.84	383.85	9.70	-74.14
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300012513928	0	54	0.0	-82.74	405.77	9.22	-73.52
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300012513929	0	60	0.0	-77.55	426.49	11.01	-66.54
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012513930	0	57	0.0	-74.07	449.52	11.21	-62.86
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012513931	0	57	0.0	-65.86	442.01	12.63	-53.23
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012513932	0	54	0.0	-74.02	420.96	9.95	-64.07
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012513933	0	54	0.0	-74.42	421.21	9.86	-64.56
CCC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012513934	0	50	0.0	-77.02	390.51	8.14	-68.88
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300012513935	0	53	0.0	-72.63	402.09	8.36	-64.27
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)CC(=O)[O-])=C1	REAL300012513936	0	47	0.0	-71.40	361.18	8.63	-62.77
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012513937	0	57	0.0	-74.07	449.52	11.21	-62.86
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C)C(=O)[O-])=C1	REAL300012513938	0	47	0.0	-64.46	369.83	7.07	-57.39
CCC(C)C(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012513939	0	56	0.0	-78.79	426.32	9.33	-69.46
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)CC(=O)[O-])=C1	REAL300012513940	0	47	0.0	-71.40	361.18	8.63	-62.77
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCCCC2C(=O)[O-])=C1	REAL300012513941	0	54	0.0	-85.93	401.58	11.37	-74.56
CCCC(C)(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012513942	0	56	0.0	-78.12	410.70	8.93	-69.19
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300012513943	0	53	0.0	-65.36	391.38	9.80	-55.56
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300012513944	0	51	0.0	-72.00	386.40	9.93	-62.07
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1	REAL300012513945	0	51	0.0	-66.07	395.80	10.17	-55.90
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300012513946	0	56	0.0	-66.03	425.18	11.01	-55.02
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300012513947	0	58	0.0	-84.75	438.99	13.20	-71.55
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C)(C)C(=O)[O-])=C1	REAL300012513948	0	50	0.0	-63.19	382.09	7.51	-55.68
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300012513949	0	54	0.0	-75.05	404.98	9.26	-65.79
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)=C1	REAL300012513950	0	51	0.0	-76.72	412.82	8.96	-67.76
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300012513951	0	57	0.0	-76.36	414.58	10.00	-66.36
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300012513952	0	53	0.0	-65.36	391.38	9.80	-55.56
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1	REAL300012513953	0	53	0.0	-66.55	410.77	10.71	-55.84
CCN(CC(=O)[O-])C(=O)NCC1=CC(C[NH+](CC)CC)=CC=C1	REAL300012513954	0	50	0.0	-72.21	389.27	9.95	-62.26
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012513955	0	56	0.0	-78.58	422.58	9.10	-69.48
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300012513956	0	54	0.0	-82.74	405.77	9.22	-73.52
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C)(CC)C(=O)[O-])=C1	REAL300012513957	0	53	0.0	-78.17	395.48	8.51	-69.66
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=C1	REAL300012513958	0	58	0.0	-77.14	445.46	11.38	-65.76
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012513959	0	57	0.0	-75.39	429.09	10.67	-64.72
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300012513960	0	47	0.0	-65.75	369.52	7.11	-58.64
CCN(CC(=O)[O-])C(=O)NCC1=CC(C[NH+](CC)CC)=CC=C1	REAL300012513961	0	50	0.0	-72.21	389.27	9.95	-62.26
CCCCCCC(C)(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012513962	0	65	0.0	-78.40	475.19	11.26	-67.14
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012513963	0	60	0.0	-70.90	458.84	13.18	-57.72
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H](C)C(=O)[O-])=C1	REAL300012513964	0	47	0.0	-63.67	363.23	6.77	-56.90
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC2)=C1	REAL300012513965	0	48	0.0	-79.16	369.39	8.00	-71.16
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCOCC2C(=O)[O-])=C1	REAL300012513966	0	52	0.0	-81.42	384.82	8.25	-73.17
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)=C1	REAL300012513967	0	60	0.0	-84.51	429.36	11.75	-72.76
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300012513968	0	51	0.0	-74.07	397.72	8.63	-65.44
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300012513969	0	60	0.0	-67.32	464.39	13.39	-53.93
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012513970	0	57	0.0	-71.57	438.43	11.99	-59.58
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CCOC)CC(=O)[O-])=C1	REAL300012513971	0	54	0.0	-66.99	420.65	9.13	-57.86
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=C1	REAL300012513972	0	58	0.0	-85.44	442.52	11.32	-74.12
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300012513973	0	51	0.0	-80.10	390.87	9.74	-70.36
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300012513974	0	54	0.0	-86.52	393.08	10.82	-75.70
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])=C1	REAL300012513975	0	50	0.0	-67.91	375.02	8.80	-59.11
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300012513976	0	51	0.0	-79.27	390.81	9.76	-69.51
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300012513977	0	51	0.0	-82.77	392.58	8.84	-73.93
C=CCC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012513978	0	51	0.0	-76.84	398.37	8.24	-68.60
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300012513979	0	54	0.0	-78.38	400.95	10.25	-68.13
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCCCCC2C(=O)[O-])=C1	REAL300012513980	0	57	0.0	-86.52	407.05	11.33	-75.19
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300012513981	0	51	0.0	-74.07	397.72	8.63	-65.44
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)C(C)C(=O)[O-])=C1	REAL300012513982	0	50	0.0	-72.37	375.01	8.80	-63.57
CCCCC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012513983	0	56	0.0	-77.00	433.51	9.70	-67.30
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300012513984	0	60	0.0	-67.32	464.39	13.39	-53.93
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300012513985	0	54	0.0	-84.51	406.89	10.60	-73.91
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300012513986	0	57	0.0	-56.36	413.22	10.96	-45.40
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(COC)C(=O)[O-])=C1	REAL300012513987	0	51	0.0	-79.13	403.20	6.37	-72.76
CCCCCC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012513988	0	59	0.0	-77.15	449.55	10.12	-67.03
CCC1CCC(NC(=O)NCC2=CC=CC(C[NH+](CC)CC)=C2)(C(=O)[O-])CC1	REAL300012513989	0	63	0.0	-76.15	453.66	11.25	-64.90
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)=C1	REAL300012513990	0	58	0.0	-66.36	427.77	9.51	-56.85
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)=C1	REAL300012513991	0	57	0.0	-85.11	416.91	10.90	-74.21
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300012513992	0	54	0.0	-66.69	405.97	10.47	-56.22
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C1CC1	REAL300012513993	0	57	0.0	-59.68	427.38	11.70	-47.98
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300012513994	0	54	0.0	-84.47	431.91	10.30	-74.17
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300012513995	0	58	0.0	-61.88	434.01	12.25	-49.63
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300012513996	0	63	0.0	-78.28	465.43	11.01	-67.27
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)=C1	REAL300012513997	0	60	0.0	-66.93	459.66	13.82	-53.11
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)=C1	REAL300012513998	0	57	0.0	-75.10	448.93	10.88	-64.22
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012513999	0	50	0.0	-71.28	407.28	8.82	-62.46
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCSCC2)=C1	REAL300012514000	0	55	0.0	-72.48	412.27	9.70	-62.78
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300012514001	0	54	0.0	-82.03	407.44	7.45	-74.58
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1	REAL300012514002	0	57	0.0	-73.59	426.57	9.24	-64.35
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300012514003	0	56	0.0	-66.03	425.18	11.01	-55.02
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300012514004	0	51	0.0	-72.00	386.40	9.93	-62.07
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300012514005	0	53	0.0	-65.98	422.62	10.75	-55.23
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300012514006	0	52	0.0	-73.23	396.87	6.66	-66.57
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)=C1	REAL300012514007	0	60	0.0	-79.77	439.37	9.99	-69.78
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])=C1	REAL300012514008	0	61	0.0	-74.94	454.24	10.66	-64.28
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300012514009	0	55	0.0	-75.25	406.00	7.52	-67.73
C=CCCC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012514010	0	54	0.0	-76.23	418.54	9.13	-67.10
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CF)C(=O)[O-])=C1	REAL300012514011	0	47	0.0	-63.08	366.68	6.81	-56.27
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])=C1	REAL300012514012	0	60	0.0	-54.69	451.79	13.64	-41.05
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)C(C)C(=O)[O-])=C1	REAL300012514013	0	50	0.0	-72.37	375.01	8.80	-63.57
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300012514014	0	56	0.0	-73.86	405.58	9.06	-64.80
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)=C1	REAL300012514015	0	58	0.0	-74.56	457.02	9.50	-65.06
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1	REAL300012514016	0	56	0.0	-65.30	421.79	11.46	-53.84
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC)(COC)C(=O)[O-])=C1	REAL300012514017	0	57	0.0	-83.57	424.12	8.36	-75.21
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])=C1	REAL300012514018	0	60	0.0	-74.52	454.01	10.35	-64.17
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300012514019	0	54	0.0	-77.14	422.71	9.75	-67.39
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CCOC)C(=O)[O-])=C1	REAL300012514020	0	54	0.0	-76.91	417.90	6.87	-70.04
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])=C1	REAL300012514021	0	59	0.0	-75.20	440.31	11.51	-63.69
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC(F)F)C(=O)[O-])=C1	REAL300012514022	0	50	0.0	-76.16	403.69	8.41	-67.75
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1	REAL300012514023	0	60	0.0	-87.27	441.11	12.53	-74.74
CCCN(C(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(C)C(=O)[O-]	REAL300012514024	0	56	0.0	-68.85	420.70	10.78	-58.07
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=C1	REAL300012514025	0	60	0.0	-50.33	453.62	13.67	-36.66
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012514026	0	60	0.0	-76.08	446.02	11.54	-64.54
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CCF)C(=O)[O-])=C1	REAL300012514027	0	50	0.0	-75.78	397.93	8.27	-67.51
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2(OC)CCC2)C(=O)[O-])=C1	REAL300012514028	0	61	0.0	-74.91	456.89	8.81	-66.10
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)=C1	REAL300012514029	0	58	0.0	-66.36	427.77	9.51	-56.85
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)=C1	REAL300012514030	0	60	0.0	-58.37	443.01	12.23	-46.14
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)=C1	REAL300012514031	0	60	0.0	-76.76	434.63	10.73	-66.03
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300012514032	0	58	0.0	-77.42	457.00	9.50	-67.92
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C)(CCF)C(=O)[O-])=C1	REAL300012514033	0	53	0.0	-74.60	395.78	8.31	-66.29
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=C1	REAL300012514034	0	55	0.0	-64.11	423.88	10.80	-53.31
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])=C1	REAL300012514035	0	51	0.0	-74.34	397.58	9.57	-64.77
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300012514036	0	58	0.0	-81.04	456.98	9.50	-71.54
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300012514037	0	50	0.0	-71.77	376.06	8.86	-62.91
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=C1	REAL300012514038	0	63	0.0	-78.25	448.64	11.20	-67.05
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300012514039	0	52	0.0	-85.22	393.40	10.62	-74.60
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC(OC)CC2(C)C(=O)[O-])=C1	REAL300012514040	0	58	0.0	-78.53	440.50	9.57	-68.96
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])=C1	REAL300012514041	0	61	0.0	-73.22	462.74	8.95	-64.27
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300012514042	0	56	0.0	-78.93	422.13	9.24	-69.69
C=C(Cl)CC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012514043	0	51	0.0	-77.12	413.50	8.87	-68.25
C=C(C)CC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012514044	0	54	0.0	-77.46	418.65	8.97	-68.49
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300012514045	0	55	0.0	-86.43	403.58	11.18	-75.25
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300012514046	0	51	0.0	-72.12	403.04	10.21	-61.91
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300012514047	0	51	0.0	-81.58	396.60	10.14	-71.44
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+](CC)CC)=C2)C1	REAL300012514048	0	52	0.0	-84.40	404.28	10.12	-74.28
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300012514049	0	61	0.0	-73.47	462.56	9.01	-64.46
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300012514050	0	56	0.0	-77.63	429.46	9.51	-68.12
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300012514051	0	58	0.0	-80.86	435.85	7.98	-72.88
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012514052	0	54	0.0	-74.42	421.21	9.86	-64.56
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300012514053	0	54	0.0	-77.14	422.71	9.75	-67.39
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])=C1	REAL300012514054	0	53	0.0	-72.38	429.99	8.00	-64.38
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CCCC(C)C)C(=O)[O-])=C1	REAL300012514055	0	62	0.0	-77.04	472.57	10.99	-66.05
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])=C1	REAL300012514056	0	58	0.0	-77.64	447.53	8.50	-69.14
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CSC)C(=O)[O-])=C1	REAL300012514057	0	51	0.0	-74.84	414.81	8.54	-66.30
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300012514058	0	51	0.0	-78.76	396.77	6.08	-72.68
CC[C@H](NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012514059	0	50	0.0	-77.46	391.34	8.15	-69.31
CCC(C)CC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012514060	0	59	0.0	-77.98	448.28	10.09	-67.89
C=CCCCC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012514061	0	57	0.0	-76.56	446.32	10.26	-66.30
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCSCC2C(=O)[O-])=C1	REAL300012514062	0	52	0.0	-80.89	393.09	10.76	-70.13
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012514063	0	57	0.0	-75.39	429.09	10.67	-64.72
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300012514064	0	51	0.0	-80.10	390.87	9.74	-70.36
CCCC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012514065	0	53	0.0	-77.22	406.56	8.55	-68.67
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012514066	0	53	0.0	-72.02	406.46	8.74	-63.28
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=C1	REAL300012514067	0	55	0.0	-88.38	404.27	11.25	-77.13
CCN(C(=O)NCC1=CC(C[NH+](CC)CC)=CC=C1)C(C)(C)C(=O)[O-]	REAL300012514068	0	56	0.0	-76.38	415.67	10.87	-65.51
CCCN(C(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(C)C(=O)[O-]	REAL300012514069	0	56	0.0	-68.85	420.70	10.78	-58.07
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=C1	REAL300012514070	0	50	0.0	-68.65	403.88	10.45	-58.20
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=C1	REAL300012514071	0	50	0.0	-68.65	403.88	10.45	-58.20
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300012514072	0	53	0.0	-75.97	389.44	9.67	-66.30
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300012514073	0	51	0.0	-79.27	390.81	9.76	-69.51
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=C1	REAL300012514074	0	52	0.0	-86.91	403.48	6.24	-80.67
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=C1	REAL300012514075	0	58	0.0	-65.77	443.30	13.06	-52.71
CCC[C@@H](NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012514076	0	53	0.0	-71.60	406.32	8.62	-62.98
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012514077	0	54	0.0	-74.02	420.96	9.95	-64.07
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=C1	REAL300012514078	0	59	0.0	-73.84	467.39	10.21	-63.63
C=CCCC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012514079	0	54	0.0	-76.23	418.54	9.13	-67.10
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300012514080	0	53	0.0	-76.17	436.54	8.14	-68.03
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])=C1	REAL300012514081	0	54	0.0	-90.38	412.41	7.20	-83.18
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])=C1	REAL300012514082	0	55	0.0	-74.57	417.16	9.05	-65.52
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300012514083	0	54	0.0	-78.45	401.03	10.26	-68.19
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300012514084	0	53	0.0	-76.96	402.47	8.44	-68.52
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012514085	0	54	0.0	-78.98	427.47	10.20	-68.78
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=C1	REAL300012514086	0	57	0.0	-77.21	436.95	9.54	-67.67
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300012514087	0	50	0.0	-71.77	376.06	8.86	-62.91
CCC[C@H](NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012514088	0	53	0.0	-77.19	406.56	8.55	-68.64
CCN(C(=O)NCC1=CC(C[NH+](CC)CC)=CC=C1)C(C)C(=O)[O-]	REAL300012514089	0	53	0.0	-74.30	400.03	10.06	-64.24
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300012514090	0	57	0.0	-56.36	413.22	10.96	-45.40
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300012514091	0	53	0.0	-73.24	396.29	9.30	-63.94
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012514092	0	56	0.0	-78.58	422.58	9.10	-69.48
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1	REAL300012514093	0	53	0.0	-73.14	395.44	9.95	-63.19
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)=C1	REAL300012514094	0	55	0.0	-79.00	424.73	6.14	-72.86
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=C1	REAL300012514095	0	63	0.0	-79.91	467.55	9.14	-70.77
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)=C1	REAL300012514096	0	57	0.0	-77.46	427.42	9.87	-67.59
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)=C1	REAL300012514097	0	60	0.0	-77.60	428.99	10.15	-67.45
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CCOC)C(=O)[O-])=C1	REAL300012514098	0	54	0.0	-76.91	417.90	6.87	-70.04
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012514099	0	60	0.0	-70.90	458.84	13.18	-57.72
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300012514100	0	57	0.0	-78.32	422.60	10.21	-68.11
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300012514101	0	54	0.0	-73.60	406.52	9.13	-64.47
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=C1	REAL300012514102	0	63	0.0	-73.67	469.00	9.08	-64.59
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=C1	REAL300012514103	0	52	0.0	-85.29	395.78	6.17	-79.12
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOC2)=C1	REAL300012514104	0	55	0.0	-72.63	418.12	7.17	-65.46
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=C1	REAL300012514105	0	55	0.0	-87.88	405.67	10.83	-77.05
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)=C1	REAL300012514106	0	53	0.0	-82.39	398.41	8.63	-73.76
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC(C)CCC2C(=O)[O-])=C1	REAL300012514107	0	57	0.0	-86.22	422.08	11.97	-74.25
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)=C1	REAL300012514108	0	60	0.0	-73.30	464.93	11.49	-61.81
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])=C1	REAL300012514109	0	61	0.0	-72.56	459.58	11.94	-60.62
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300012514110	0	54	0.0	-72.59	404.72	8.75	-63.84
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)=C1	REAL300012514111	0	60	0.0	-79.77	439.37	9.99	-69.78
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300012514112	0	54	0.0	-72.59	404.72	8.75	-63.84
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300012514113	0	54	0.0	-85.47	405.16	10.02	-75.45
C=CCC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012514114	0	51	0.0	-76.84	398.37	8.24	-68.60
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300012514115	0	61	0.0	-72.09	457.29	9.53	-62.56
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=C1	REAL300012514116	0	61	0.0	-64.09	437.18	11.86	-52.23
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=C1	REAL300012514117	0	61	0.0	-75.95	435.15	8.84	-67.11
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=C1	REAL300012514118	0	55	0.0	-66.78	406.56	10.73	-56.05
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])=C1	REAL300012514119	0	61	0.0	-72.56	459.58	11.94	-60.62
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(OC)C2)=C1	REAL300012514120	0	55	0.0	-80.27	425.93	7.81	-72.46
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)=C1	REAL300012514121	0	51	0.0	-75.58	394.63	8.53	-67.05
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)=C1	REAL300012514122	0	55	0.0	-78.43	424.07	7.72	-70.71
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCCC2(CC)C(=O)[O-])=C1	REAL300012514123	0	57	0.0	-78.94	415.65	11.38	-67.56
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012514124	0	50	0.0	-71.28	407.28	8.82	-62.46
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300012514125	0	58	0.0	-72.35	439.94	7.86	-64.49
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])COC2)=C1	REAL300012514126	0	49	0.0	-72.30	383.30	5.88	-66.42
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])=C1	REAL300012514127	0	54	0.0	-71.18	435.44	9.86	-61.32
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300012514128	0	56	0.0	-73.67	405.93	8.85	-64.82
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012514129	0	52	0.0	-88.86	397.33	11.24	-77.62
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012514130	0	55	0.0	-83.05	407.31	10.49	-72.56
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=C1	REAL300012514131	0	60	0.0	-50.33	453.62	13.67	-36.66
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300012514132	0	63	0.0	-78.28	465.43	11.01	-67.27
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012514133	0	60	0.0	-77.97	471.92	11.93	-66.04
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012514134	0	60	0.0	-73.14	466.46	11.58	-61.56
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300012514135	0	61	0.0	-80.53	447.38	10.44	-70.09
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300012514136	0	63	0.0	-72.95	471.10	11.45	-61.50
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300012514137	0	63	0.0	-78.07	465.18	11.08	-66.99
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])=C1	REAL300012514138	0	61	0.0	-65.74	445.63	11.69	-54.05
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=C1	REAL300012514139	0	61	0.0	-86.23	449.82	11.96	-74.27
C=CCSCC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012514140	0	55	0.0	-74.11	442.13	9.69	-64.42
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1	REAL300012514141	0	56	0.0	-74.14	410.13	10.66	-63.48
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2(OC)CCC2)=C1	REAL300012514142	0	58	0.0	-83.35	434.25	8.19	-75.16
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=C1	REAL300012514143	0	54	0.0	-85.58	424.30	9.67	-75.91
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300012514145	0	51	0.0	-81.58	396.60	10.14	-71.44
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])=C1	REAL300012514146	0	53	0.0	-65.41	399.90	10.53	-54.88
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])=C1	REAL300012514147	0	57	0.0	-85.16	416.14	10.66	-74.50
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])=C1	REAL300012514148	0	61	0.0	-84.31	438.30	12.30	-72.01
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CCC(C)C)C(=O)[O-])=C1	REAL300012514149	0	59	0.0	-77.25	451.07	10.21	-67.04
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])=C1	REAL300012514150	0	58	0.0	-56.00	430.71	11.20	-44.80
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300012514151	0	58	0.0	-72.35	439.94	7.86	-64.49
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])=C1	REAL300012514152	0	55	0.0	-81.27	426.94	10.87	-70.40
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)=C1	REAL300012514153	0	58	0.0	-76.20	423.13	10.38	-65.82
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)=C1	REAL300012514154	0	55	0.0	-84.04	413.83	10.07	-73.97
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300012514155	0	58	0.0	-81.84	428.71	10.14	-71.70
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012514156	0	60	0.0	-71.51	460.30	13.11	-58.40
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCC2)=C1	REAL300012514157	0	57	0.0	-78.18	421.38	9.34	-68.84
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300012514158	0	54	0.0	-78.49	414.57	7.03	-71.46
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300012514159	0	54	0.0	-85.74	414.34	9.87	-75.87
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012514160	0	57	0.0	-65.86	442.01	12.63	-53.23
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])=C1	REAL300012514161	0	57	0.0	-55.98	423.68	10.50	-45.48
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])=C1	REAL300012514162	0	54	0.0	-81.76	411.92	11.17	-70.59
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])=C1	REAL300012514163	0	51	0.0	-86.44	395.47	9.85	-76.59
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012514164	0	54	0.0	-72.34	434.31	9.73	-62.61
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=C1	REAL300012514165	0	54	0.0	-76.06	419.29	10.71	-65.35
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012514166	0	54	0.0	-72.34	434.31	9.73	-62.61
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012514167	0	58	0.0	-81.37	422.75	11.05	-70.32
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CCCOC)C(=O)[O-])=C1	REAL300012514168	0	57	0.0	-76.65	446.51	7.96	-68.69
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1	REAL300012514169	0	56	0.0	-73.31	416.94	10.72	-62.59
CCOCC(NC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300012514170	0	54	0.0	-79.11	418.28	7.00	-72.11
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])=C1	REAL300012514171	0	59	0.0	-72.19	435.62	10.27	-61.92
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)=C1	REAL300012514172	0	58	0.0	-75.23	443.17	8.65	-66.58
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=C1	REAL300012514173	0	58	0.0	-77.14	445.46	11.38	-65.76
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=C1	REAL300012514174	0	55	0.0	-83.09	412.76	9.61	-73.48
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300012514175	0	51	0.0	-77.93	405.91	8.30	-69.63
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)=C1	REAL300012514176	0	54	0.0	-67.21	423.65	10.76	-56.45
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])=C1	REAL300012514177	0	50	0.0	-67.91	375.02	8.80	-59.11
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+](CC)CC)=C2)C1	REAL300012514178	0	58	0.0	-80.13	444.41	10.08	-70.05
CCC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012514910	0	56	0.0	-62.84	434.07	8.86	-53.98
CC(C)C1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012515187	0	59	0.0	-63.28	451.40	9.34	-53.94
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515316	0	53	0.0	-76.69	407.01	7.52	-69.17
C=CCOCC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515317	0	52	0.0	-82.64	415.65	6.01	-76.63
C=CC(C)C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515318	0	51	0.0	-81.15	394.32	7.14	-74.01
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C1CCOCC1	REAL300012515319	0	55	0.0	-82.67	419.54	6.26	-76.41
COC1CCN(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C(C(=O)[O-])C1	REAL300012515320	0	55	0.0	-89.84	410.02	8.25	-81.59
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C1CCCOC1	REAL300012515321	0	55	0.0	-77.86	413.02	6.04	-71.82
CC1CCN(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C(C(=O)[O-])C1	REAL300012515322	0	54	0.0	-88.48	400.16	9.72	-78.76
CC1=CC(C)=CC(C(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C(=O)[O-])=C1	REAL300012515323	0	57	0.0	-84.35	448.13	9.54	-74.81
CC1=CC=C(C(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C(=O)[O-])C=C1C	REAL300012515324	0	57	0.0	-83.01	443.46	9.50	-73.51
CC1=CC=CC(C(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C(=O)[O-])=C1C	REAL300012515325	0	57	0.0	-81.92	434.71	9.29	-72.63
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515326	0	50	0.0	-68.83	388.95	8.80	-60.03
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C1CCC1	REAL300012515327	0	54	0.0	-69.84	401.40	9.05	-60.79
CCCN(C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(COC)C(=O)[O-]	REAL300012515328	0	57	0.0	-80.18	426.78	8.39	-71.79
CCCN(C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(CC)C(=O)[O-]	REAL300012515329	0	56	0.0	-85.47	422.48	10.72	-74.75
CC(C)C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515330	0	50	0.0	-79.92	384.64	6.83	-73.09
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515331	0	51	0.0	-89.14	379.85	9.36	-79.78
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515332	0	49	0.0	-87.07	379.46	9.24	-77.83
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CCCCC1	REAL300012515333	0	54	0.0	-84.94	398.65	8.36	-76.58
O=C([O-])C1CCCN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515334	0	48	0.0	-86.68	369.13	7.74	-78.94
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CCCC1	REAL300012515335	0	51	0.0	-84.24	383.60	7.22	-77.02
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CCCCCC1	REAL300012515336	0	57	0.0	-85.42	404.29	9.01	-76.41
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515337	0	54	0.0	-81.79	427.71	9.30	-72.49
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515338	0	54	0.0	-68.95	426.44	11.05	-57.90
O=C([O-])[C@H](NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C1=CC=CC=C1	REAL300012515339	0	51	0.0	-80.56	405.31	8.22	-72.34
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C1=CC=CC=C1	REAL300012515340	0	51	0.0	-81.65	405.45	8.37	-73.28
CCC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515341	0	47	0.0	-80.29	369.28	6.28	-74.01
CC(C)C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515342	0	50	0.0	-79.92	384.64	6.83	-73.09
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515343	0	44	0.0	-80.23	345.64	7.06	-73.17
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515344	0	54	0.0	-81.79	427.71	9.30	-72.49
CC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515345	0	44	0.0	-73.13	347.52	5.23	-67.90
CCC(C)C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515346	0	53	0.0	-81.24	399.10	7.17	-74.07
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515347	0	44	0.0	-80.23	345.64	7.06	-73.17
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515348	0	51	0.0	-89.14	379.85	9.36	-79.78
CCCC(C)(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515349	0	53	0.0	-79.74	395.15	7.35	-72.39
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515350	0	50	0.0	-80.36	377.23	8.29	-72.07
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C1CC1	REAL300012515351	0	48	0.0	-83.22	368.49	8.32	-74.90
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515352	0	48	0.0	-68.62	380.26	8.60	-60.02
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515353	0	53	0.0	-68.17	403.36	9.10	-59.07
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515354	0	55	0.0	-90.74	417.46	11.32	-79.42
CC(C)(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515355	0	47	0.0	-71.82	360.26	5.60	-66.22
CC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)(C(=O)[O-])C1CC1	REAL300012515356	0	51	0.0	-80.98	382.70	7.27	-73.71
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C1=CC=CS1	REAL300012515357	0	48	0.0	-80.40	396.65	7.38	-73.02
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CCCCC1	REAL300012515358	0	54	0.0	-84.94	398.65	8.36	-76.58
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515359	0	50	0.0	-80.36	377.23	8.29	-72.07
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515360	0	50	0.0	-68.83	388.95	8.80	-60.03
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515361	0	47	0.0	-80.38	367.45	8.04	-72.34
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515362	0	53	0.0	-78.01	400.37	7.11	-70.90
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CCCC1	REAL300012515363	0	51	0.0	-84.24	383.60	7.22	-77.02
CCC(C)(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515364	0	50	0.0	-79.51	373.66	6.59	-72.92
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CC2=CC=CC=C2C1	REAL300012515365	0	55	0.0	-83.92	423.25	9.40	-74.52
CC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012515366	0	54	0.0	-82.48	413.48	9.07	-73.41
C[C@H](NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515367	0	44	0.0	-70.68	347.30	5.13	-65.55
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COC1(CC(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C(=O)[O-])CCC1	REAL300012515435	0	58	0.0	-82.27	438.87	7.58	-74.69
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C[C@H]1CC[C@@](NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)(C(=O)[O-])CC1	REAL300012515438	0	57	0.0	-84.44	412.80	8.82	-75.62
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CC(CCF)(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515440	0	50	0.0	-76.67	380.24	6.73	-69.94
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C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515444	0	47	0.0	-74.65	359.22	7.22	-67.43
CC1(C)CCCC(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)(C(=O)[O-])C1	REAL300012515445	0	60	0.0	-85.85	426.55	9.23	-76.62
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COC1CN(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C(C)(C(=O)[O-])C1	REAL300012515447	0	55	0.0	-81.13	416.90	7.62	-73.51
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CC(C)(C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515449	0	53	0.0	-78.16	399.92	7.26	-70.90
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CC(C)CCCC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515462	0	59	0.0	-80.88	450.75	9.08	-71.80
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CN(C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012515479	0	50	0.0	-83.81	374.29	8.05	-75.76
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CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515482	0	55	0.0	-64.79	422.23	11.08	-53.71
CCC[C@@H](NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515483	0	50	0.0	-82.21	390.63	6.92	-75.29
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C=CCCC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515486	0	51	0.0	-79.99	403.59	7.61	-72.38
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CN1CC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CC1=O	REAL300012515489	0	52	0.0	-81.46	395.74	7.32	-74.14
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515490	0	51	0.0	-86.23	385.00	8.59	-77.64
CC(C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515491	0	50	0.0	-77.44	381.82	6.47	-70.97
O=C([O-])[C@@H](NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C1=CC=CC=C1	REAL300012515492	0	51	0.0	-78.70	405.26	8.22	-70.48
CC(CN1C=CC=N1)(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515493	0	54	0.0	-84.21	414.74	7.56	-76.65
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515494	0	47	0.0	-74.65	359.22	7.22	-67.43
CCC[C@H](NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515495	0	50	0.0	-77.22	390.63	6.92	-70.30
CCN(C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(C)C(=O)[O-]	REAL300012515496	0	50	0.0	-79.26	378.48	8.16	-71.10
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CC(CN(C)C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515498	0	50	0.0	-84.74	380.99	7.96	-76.78
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515499	0	53	0.0	-78.01	400.37	7.11	-70.90
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515500	0	50	0.0	-78.98	379.54	8.15	-70.83
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CC(CO)C1	REAL300012515501	0	52	0.0	-89.56	400.90	4.03	-85.53
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515502	0	60	0.0	-82.79	452.40	7.44	-75.35
CC1CCC(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)(C(=O)[O-])C1	REAL300012515503	0	54	0.0	-85.10	405.20	7.87	-77.23
CC1(C)CCCC1(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515504	0	57	0.0	-83.67	415.06	8.69	-74.98
COCCC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515505	0	51	0.0	-80.52	402.95	5.35	-75.17
CN(C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012515506	0	57	0.0	-80.40	437.02	11.27	-69.13
CC1(C)CC(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)(C(=O)[O-])C1	REAL300012515507	0	54	0.0	-85.63	407.04	8.64	-76.99
CC1(C(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C(=O)[O-])CC1	REAL300012515508	0	51	0.0	-81.14	390.59	7.49	-73.65
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515509	0	60	0.0	-83.48	452.98	7.43	-76.05
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515510	0	49	0.0	-92.89	378.59	4.55	-88.34
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C1CCOC1	REAL300012515511	0	52	0.0	-78.24	396.30	5.16	-73.08
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515512	0	52	0.0	-90.52	389.62	9.20	-81.32
O=C([O-])C12COC(CN1C(=O)NC1CC[NH+](CC3=CC=NC=C3)CC1)C2	REAL300012515513	0	50	0.0	-87.45	382.85	6.95	-80.50
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300012515514	0	54	0.0	-89.05	400.67	10.01	-79.04
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515515	0	57	0.0	-82.81	444.68	9.64	-73.17
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515516	0	58	0.0	-82.11	437.36	9.96	-72.15
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O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C1CCCCC1	REAL300012515518	0	57	0.0	-83.39	422.21	8.43	-74.96
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C1CCC1	REAL300012515519	0	51	0.0	-82.37	388.80	7.11	-75.26
CC1CCN(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C1C(=O)[O-]	REAL300012515520	0	51	0.0	-87.56	389.55	8.41	-79.15
C=CCC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515521	0	48	0.0	-80.48	382.80	6.67	-73.81
O=C([O-])C(CC1CCCCO1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515522	0	58	0.0	-81.89	441.36	7.87	-74.02
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515523	0	58	0.0	-62.80	415.22	9.97	-52.83
CC1(C)CC(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)(C(=O)[O-])CCO1	REAL300012515524	0	58	0.0	-85.18	419.17	7.15	-78.03
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515525	0	52	0.0	-65.29	390.95	9.16	-56.13
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515526	0	58	0.0	-82.11	437.36	9.96	-72.15
COC1CC(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)(C(=O)[O-])C1	REAL300012515527	0	52	0.0	-88.12	403.62	5.81	-82.31
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CC(F)(F)C1	REAL300012515528	0	48	0.0	-83.24	379.03	6.96	-76.28
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)(C(=O)[O-])C1	REAL300012515529	0	52	0.0	-79.94	402.96	6.18	-73.76
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515530	0	54	0.0	-86.52	398.29	9.84	-76.68
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515531	0	47	0.0	-74.81	385.21	6.99	-67.82
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515532	0	55	0.0	-84.05	422.69	6.23	-77.82
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)COC1	REAL300012515533	0	46	0.0	-79.30	361.42	3.96	-75.34
O=C([O-])C(CC1=CC=CS1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515534	0	51	0.0	-82.72	419.82	8.29	-74.43
CC(C)C(C)(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515535	0	53	0.0	-80.11	388.58	7.21	-72.90
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515536	0	49	0.0	-89.95	375.46	9.29	-80.66
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515537	0	52	0.0	-88.86	391.47	8.91	-79.95
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515538	0	57	0.0	-86.34	437.48	11.90	-74.44
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515539	0	60	0.0	-81.78	449.46	9.35	-72.43
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515540	0	57	0.0	-78.25	450.54	9.94	-68.31
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515541	0	57	0.0	-80.43	450.54	9.94	-70.49
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C1CC2CCC1C2	REAL300012515542	0	58	0.0	-83.94	430.93	9.01	-74.93
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515543	0	60	0.0	-80.20	449.51	9.35	-70.85
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515544	0	60	0.0	-81.27	449.22	9.41	-71.86
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515545	0	58	0.0	-64.88	429.65	10.02	-54.86
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515546	0	58	0.0	-89.34	427.98	10.04	-79.30
C=CCSCC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515547	0	52	0.0	-78.31	426.59	8.13	-70.18
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515548	0	53	0.0	-78.40	394.23	9.04	-69.36
COC1(C(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C(=O)[O-])CCC1	REAL300012515549	0	55	0.0	-74.56	416.07	5.78	-68.78
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CC(C(F)F)C1	REAL300012515550	0	51	0.0	-82.82	400.64	7.58	-75.24
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515552	0	48	0.0	-85.84	376.55	7.73	-78.11
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515553	0	50	0.0	-64.68	384.25	8.97	-55.71
CC1(C)CCN(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C1C(=O)[O-]	REAL300012515554	0	54	0.0	-89.45	404.01	8.71	-80.74
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515555	0	58	0.0	-88.15	424.84	10.80	-77.35
CC(C)CCC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515556	0	56	0.0	-80.81	430.08	8.28	-72.53
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515557	0	55	0.0	-64.88	416.04	9.55	-55.33
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515558	0	55	0.0	-84.05	422.69	6.23	-77.82
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300012515559	0	52	0.0	-84.96	411.57	9.30	-75.66
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CCCC2CC21	REAL300012515560	0	55	0.0	-85.91	404.48	8.99	-76.92
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CCC2CC21	REAL300012515561	0	52	0.0	-85.63	391.62	8.08	-77.55
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CC2(CCC2)C1	REAL300012515562	0	55	0.0	-78.84	413.29	8.54	-70.30
CN(C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012515563	0	57	0.0	-82.33	438.16	11.13	-71.20
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C1CCCC1	REAL300012515564	0	54	0.0	-83.34	405.34	7.67	-75.67
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515565	0	51	0.0	-82.44	399.13	5.39	-77.05
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515566	0	51	0.0	-78.68	383.64	7.46	-71.22
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515567	0	54	0.0	-68.95	426.44	11.05	-57.90
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300012515568	0	54	0.0	-65.18	407.76	8.84	-56.34
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515569	0	51	0.0	-86.57	390.62	9.26	-77.31
O=C([O-])C1N(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CCC1(F)F	REAL300012515570	0	48	0.0	-92.43	381.86	7.79	-84.64
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515571	0	51	0.0	-81.08	418.13	8.13	-72.95
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515572	0	51	0.0	-79.78	397.08	8.71	-71.07
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515573	0	51	0.0	-81.08	418.13	8.13	-72.95
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515574	0	55	0.0	-89.44	407.10	9.27	-80.17
COCCCC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515575	0	54	0.0	-81.02	424.69	6.05	-74.97
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515576	0	53	0.0	-79.44	401.44	8.99	-70.45
CCOCC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515577	0	51	0.0	-83.59	403.23	5.44	-78.15
CC(C)(C)CC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515578	0	56	0.0	-80.75	420.11	8.68	-72.07
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C1CCCCO1	REAL300012515579	0	55	0.0	-80.07	420.38	6.70	-73.37
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CC2=CC=CC=C2C1	REAL300012515580	0	55	0.0	-83.92	423.25	9.40	-74.52
C[C@H]1OCCN(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)[C@@H]1C(=O)[O-]	REAL300012515581	0	52	0.0	-86.16	390.28	7.45	-78.71
N#CCCC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012515582	0	48	0.0	-82.01	390.37	6.72	-75.29
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515583	0	51	0.0	-69.14	407.72	9.11	-60.03
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300012515584	0	47	0.0	-78.83	359.09	7.16	-71.67
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300012515585	0	55	0.0	-87.05	423.01	8.02	-79.03
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300012515867	0	60	0.0	-76.94	454.11	9.01	-67.93
C=CCOCC(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515868	0	59	0.0	-79.97	466.86	7.69	-72.28
C=CC(C)C(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515869	0	58	0.0	-76.72	449.07	8.99	-67.73
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC(C)CC2C(=O)[O-])C=C1	REAL300012515870	0	61	0.0	-88.63	440.03	10.94	-77.69
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300012515871	0	57	0.0	-66.69	439.67	10.47	-56.22
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)C=C1	REAL300012515872	0	61	0.0	-65.50	448.42	10.58	-54.92
CCCN(C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(CC)C(=O)[O-]	REAL300012515873	0	63	0.0	-73.23	465.94	11.33	-61.90
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300012515874	0	57	0.0	-78.03	437.28	8.48	-69.55
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300012515875	0	58	0.0	-89.73	430.56	11.07	-78.66
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300012515876	0	56	0.0	-86.00	430.13	10.92	-75.08
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300012515877	0	61	0.0	-83.75	449.75	10.10	-73.65
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCCC2C(=O)[O-])C=C1	REAL300012515878	0	55	0.0	-84.51	418.98	9.81	-74.70
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300012515879	0	58	0.0	-83.05	434.66	8.98	-74.07
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC(=O)[O-])C=C1	REAL300012515880	0	48	0.0	-65.88	377.62	6.04	-59.84
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012515881	0	58	0.0	-80.80	456.41	9.98	-70.82
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012515882	0	58	0.0	-79.84	452.34	9.77	-70.07
CCC(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515883	0	54	0.0	-77.13	420.00	7.96	-69.17
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300012515884	0	57	0.0	-78.03	437.28	8.48	-69.55
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C1	REAL300012515885	0	51	0.0	-76.67	396.36	8.73	-67.94
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C)C(=O)[O-])C=C1	REAL300012515886	0	51	0.0	-66.74	398.24	6.90	-59.84
CCC(C)C(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515887	0	60	0.0	-77.54	448.62	8.78	-68.76
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C1	REAL300012515888	0	51	0.0	-76.67	396.36	8.73	-67.94
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300012515889	0	58	0.0	-89.73	430.56	11.07	-78.66
CCCC(C)(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515890	0	60	0.0	-78.89	442.06	8.75	-70.14
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300012515891	0	57	0.0	-67.66	428.22	9.98	-57.68
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300012515892	0	55	0.0	-64.32	417.73	9.99	-54.33
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300012515893	0	55	0.0	-66.41	430.98	10.27	-56.14
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300012515894	0	60	0.0	-65.29	450.26	10.50	-54.79
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300012515895	0	54	0.0	-64.75	410.99	7.27	-57.48
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300012515896	0	58	0.0	-80.94	430.06	8.75	-72.19
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300012515897	0	61	0.0	-83.75	449.75	10.10	-73.65
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300012515898	0	57	0.0	-67.66	428.22	9.98	-57.68
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300012515899	0	57	0.0	-66.69	439.67	10.47	-56.22
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300012515900	0	54	0.0	-76.87	418.17	9.71	-67.16
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515901	0	60	0.0	-78.61	451.47	8.86	-69.75
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300012515902	0	58	0.0	-83.05	434.66	8.98	-74.07
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300012515903	0	57	0.0	-79.35	420.56	8.00	-71.35
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300012515904	0	51	0.0	-66.88	398.41	6.87	-60.01
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300012515905	0	54	0.0	-76.87	418.17	9.71	-67.16
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300012515906	0	51	0.0	-67.29	398.41	6.88	-60.41
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300012515907	0	52	0.0	-83.79	400.75	7.81	-75.98
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300012515908	0	56	0.0	-85.50	421.50	8.42	-77.08
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300012515909	0	55	0.0	-78.28	429.99	8.43	-69.85
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300012515910	0	58	0.0	-66.23	445.74	8.62	-57.61
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300012515911	0	55	0.0	-85.98	419.75	9.50	-76.48
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300012515912	0	58	0.0	-89.18	429.88	10.82	-78.36
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C=C1	REAL300012515913	0	54	0.0	-72.48	407.44	8.69	-63.79
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300012515914	0	55	0.0	-83.96	415.19	9.53	-74.43
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300012515915	0	55	0.0	-82.92	417.54	8.33	-74.59
C=CCC(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515916	0	55	0.0	-76.64	429.70	8.07	-68.57
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300012515917	0	58	0.0	-85.58	436.13	10.35	-75.23
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCCCCC2C(=O)[O-])C=C1	REAL300012515918	0	61	0.0	-86.45	445.02	11.69	-74.76
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300012515919	0	55	0.0	-78.28	429.99	8.43	-69.85
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300012515920	0	54	0.0	-72.79	406.38	8.63	-64.16
CCCCC(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515921	0	60	0.0	-77.41	463.24	9.45	-67.96
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300012515922	0	58	0.0	-84.44	436.14	10.34	-74.10
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300012515923	0	61	0.0	-66.35	450.70	11.01	-55.34
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(COC)C(=O)[O-])C=C1	REAL300012515924	0	55	0.0	-78.48	428.15	5.91	-72.57
CCCCCC(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515925	0	63	0.0	-77.01	484.49	10.28	-66.73
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C=C1	REAL300012515926	0	61	0.0	-84.67	445.67	10.70	-73.97
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300012515927	0	58	0.0	-65.18	432.71	10.02	-55.16
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C1CC1	REAL300012515928	0	61	0.0	-66.23	454.02	11.25	-54.98
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300012515929	0	58	0.0	-84.10	442.62	7.55	-76.55
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300012515930	0	61	0.0	-73.52	459.42	9.03	-64.49
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300012515931	0	60	0.0	-65.29	450.26	10.50	-54.79
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300012515932	0	55	0.0	-64.32	417.73	9.99	-54.33
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300012515933	0	56	0.0	-78.14	425.88	6.41	-71.73
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300012515934	0	59	0.0	-81.55	437.36	7.33	-74.22
C=CCCC(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515935	0	58	0.0	-76.90	454.31	9.28	-67.62
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C1	REAL300012515936	0	51	0.0	-64.77	402.03	6.89	-57.88
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300012515937	0	54	0.0	-72.79	406.38	8.63	-64.16
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300012515938	0	60	0.0	-80.22	440.76	9.16	-71.06
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300012515939	0	60	0.0	-65.27	451.24	11.21	-54.06
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(CC)(COC)C(=O)[O-])C=C1	REAL300012515940	0	61	0.0	-84.41	459.07	8.47	-75.94
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300012515941	0	58	0.0	-77.79	448.30	9.12	-68.67
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300012515942	0	58	0.0	-76.82	453.67	7.02	-69.80
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])C=C1	REAL300012515943	0	63	0.0	-72.17	465.25	11.01	-61.16
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300012515944	0	54	0.0	-76.22	432.59	8.19	-68.03
CCCN(C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(C)C(=O)[O-]	REAL300012515945	0	60	0.0	-72.71	444.93	10.14	-62.57
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C1	REAL300012515946	0	54	0.0	-75.11	426.59	8.10	-67.01
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300012515947	0	57	0.0	-75.02	427.15	8.14	-66.88
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C=C1	REAL300012515948	0	55	0.0	-78.46	434.13	9.55	-68.91
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300012515949	0	54	0.0	-71.67	407.44	8.69	-62.98
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300012515950	0	56	0.0	-89.85	422.25	10.16	-79.69
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300012515951	0	60	0.0	-78.91	451.02	9.00	-69.91
C=C(Cl)CC(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515952	0	55	0.0	-73.15	444.65	8.81	-64.34
C=C(C)CC(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515953	0	58	0.0	-77.80	450.99	9.37	-68.43
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300012515954	0	59	0.0	-93.09	441.58	11.21	-81.88
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300012515955	0	55	0.0	-76.83	431.96	9.97	-66.86
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300012515956	0	55	0.0	-80.76	421.65	9.63	-71.13
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(OCC[NH+](CC)CC)C=C2)C1	REAL300012515957	0	56	0.0	-84.53	433.22	9.87	-74.66
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300012515958	0	60	0.0	-76.94	454.11	9.01	-67.93
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012515959	0	58	0.0	-79.84	452.34	9.77	-70.07
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300012515960	0	58	0.0	-77.79	448.30	9.12	-68.67
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(CSC)C(=O)[O-])C=C1	REAL300012515961	0	55	0.0	-75.23	440.12	7.96	-67.27
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300012515962	0	55	0.0	-78.59	428.28	5.86	-72.73
CC[C@H](NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515963	0	54	0.0	-76.98	416.42	7.63	-69.35
CCC(C)CC(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515964	0	63	0.0	-77.94	472.42	9.59	-68.35
C=CCCCC(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515965	0	61	0.0	-76.70	471.99	9.79	-66.91
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300012515966	0	56	0.0	-86.00	430.13	10.92	-75.08
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300012515967	0	55	0.0	-85.98	419.75	9.50	-76.48
CCCC(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515968	0	57	0.0	-76.98	437.92	8.38	-68.60
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012515969	0	57	0.0	-77.88	427.87	8.03	-69.85
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=C1	REAL300012515970	0	59	0.0	-90.92	436.39	11.11	-79.81
CCN(C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(C)(C)C(=O)[O-]	REAL300012515971	0	60	0.0	-82.51	444.50	10.67	-71.84
CCCN(C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(C)C(=O)[O-]	REAL300012515972	0	60	0.0	-72.71	444.93	10.14	-62.57
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300012515973	0	57	0.0	-81.96	421.11	9.54	-72.42
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300012515974	0	55	0.0	-83.96	415.19	9.53	-74.43
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C=C1	REAL300012515975	0	56	0.0	-87.21	431.01	6.12	-81.09
CCC[C@@H](NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515976	0	57	0.0	-77.97	437.92	8.39	-69.58
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012515977	0	58	0.0	-80.80	456.41	9.98	-70.82
C=CCCC(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515978	0	58	0.0	-76.90	454.31	9.28	-67.62
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300012515979	0	58	0.0	-85.67	436.09	10.36	-75.31
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300012515980	0	57	0.0	-76.53	427.54	7.93	-68.60
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012515981	0	58	0.0	-78.83	451.95	9.72	-69.11
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300012515982	0	54	0.0	-71.67	407.44	8.69	-62.98
CCC[C@H](NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515983	0	57	0.0	-76.97	437.91	8.39	-68.58
CCN(C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(C)C(=O)[O-]	REAL300012515984	0	57	0.0	-79.55	427.40	10.14	-69.41
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300012515985	0	61	0.0	-66.35	450.70	11.01	-55.34
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300012515986	0	57	0.0	-75.29	427.65	9.11	-66.18
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012515987	0	60	0.0	-78.61	451.47	8.86	-69.75
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300012515988	0	57	0.0	-72.93	430.62	10.05	-62.88
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C=C1	REAL300012515989	0	59	0.0	-84.13	449.81	5.63	-78.50
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)C=C1	REAL300012515990	0	61	0.0	-83.29	452.49	9.36	-73.93
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300012515991	0	58	0.0	-76.82	453.67	7.02	-69.80
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300012515992	0	61	0.0	-83.73	453.75	10.03	-73.70
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300012515993	0	58	0.0	-81.30	443.84	9.25	-72.05
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C=C1	REAL300012515994	0	56	0.0	-92.54	430.99	6.27	-86.27
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOC2)C=C1	REAL300012515995	0	59	0.0	-78.23	443.19	6.66	-71.57
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1	REAL300012515996	0	59	0.0	-90.49	441.16	10.94	-79.55
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1	REAL300012515997	0	57	0.0	-85.68	428.55	8.27	-77.41
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CC(C)CCC2C(=O)[O-])C=C1	REAL300012515998	0	61	0.0	-89.59	451.37	11.71	-77.88
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300012515999	0	58	0.0	-79.87	447.01	8.94	-70.93
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300012516000	0	58	0.0	-79.87	447.01	8.94	-70.93
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300012516001	0	58	0.0	-85.88	440.35	10.11	-75.77
C=CCC(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012516002	0	55	0.0	-76.64	429.70	8.07	-68.57
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=C1	REAL300012516003	0	59	0.0	-68.16	441.78	10.84	-57.32
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(OC)C2)C=C1	REAL300012516004	0	59	0.0	-86.32	454.73	7.57	-78.75
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300012516005	0	55	0.0	-80.93	425.97	8.36	-72.57
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)C=C1	REAL300012516006	0	59	0.0	-80.32	452.83	7.48	-72.84
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCCC2(CC)C(=O)[O-])C=C1	REAL300012516007	0	61	0.0	-86.85	451.66	11.46	-75.39
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])COC2)C=C1	REAL300012516008	0	53	0.0	-76.95	412.34	5.62	-71.33
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300012516009	0	60	0.0	-80.79	439.30	8.89	-71.90
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012516010	0	56	0.0	-89.32	426.28	10.96	-78.36
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012516011	0	59	0.0	-87.56	442.62	10.60	-76.96
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300012516012	0	60	0.0	-73.10	444.44	10.60	-62.50
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300012516013	0	55	0.0	-80.76	421.65	9.63	-71.13
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1	REAL300012516014	0	57	0.0	-64.96	431.27	10.35	-54.61
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1	REAL300012516015	0	61	0.0	-85.41	447.51	10.48	-74.93
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(CCC(C)C)C(=O)[O-])C=C1	REAL300012516016	0	63	0.0	-77.18	476.99	9.68	-67.50
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C=C1	REAL300012516017	0	59	0.0	-85.70	442.73	9.84	-75.86
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCC2)C=C1	REAL300012516018	0	61	0.0	-79.75	462.02	9.62	-70.13
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300012516019	0	58	0.0	-78.26	446.28	6.91	-71.35
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300012516020	0	58	0.0	-85.94	439.43	9.36	-76.58
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C=C1	REAL300012516021	0	61	0.0	-67.39	458.82	10.60	-56.79
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1	REAL300012516022	0	55	0.0	-85.79	426.85	9.67	-76.12
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(CCCOC)C(=O)[O-])C=C1	REAL300012516023	0	61	0.0	-76.51	471.35	7.52	-68.99
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300012516024	0	60	0.0	-72.59	453.21	10.81	-61.78
CCOCC(NC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012516025	0	58	0.0	-79.45	453.95	7.11	-72.34
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300012516026	0	63	0.0	-78.39	465.49	10.03	-68.36
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C=C1	REAL300012516027	0	59	0.0	-85.35	437.04	8.83	-76.52
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300012516028	0	55	0.0	-77.00	440.86	8.46	-68.54
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C=C1	REAL300012516029	0	54	0.0	-72.48	407.44	8.69	-63.79
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012516030	0	60	0.0	-73.98	457.13	9.30	-64.68
C=CCOCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516031	0	59	0.0	-74.90	465.36	7.72	-67.18
C=CC(C)C(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516032	0	58	0.0	-59.92	446.88	8.81	-51.11
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012516033	0	61	0.0	-78.02	449.76	11.48	-66.54
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC	REAL300012516034	0	57	0.0	-64.22	438.66	10.52	-53.70
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012516035	0	61	0.0	-64.05	447.11	10.52	-53.53
CCCN(C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(CC)C(=O)[O-]	REAL300012516036	0	63	0.0	-60.26	465.44	11.49	-48.77
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C(C)C	REAL300012516037	0	57	0.0	-72.78	430.35	8.25	-64.53
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012516038	0	58	0.0	-77.00	425.30	10.84	-66.16
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012516039	0	56	0.0	-74.27	428.96	10.87	-63.40
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012516040	0	61	0.0	-63.76	444.87	9.87	-53.89
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCCC1C(=O)[O-]	REAL300012516041	0	55	0.0	-77.84	414.12	9.57	-68.27
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012516042	0	58	0.0	-67.46	434.25	9.04	-58.42
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC(=O)[O-]	REAL300012516043	0	48	0.0	-58.95	376.61	6.09	-52.86
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012516044	0	58	0.0	-62.90	451.55	9.73	-53.17
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012516045	0	58	0.0	-64.75	455.16	10.11	-54.64
CCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516046	0	54	0.0	-59.98	415.11	7.72	-52.26
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C(C)C	REAL300012516047	0	57	0.0	-72.78	430.35	8.25	-64.53
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C)CC(=O)[O-]	REAL300012516048	0	51	0.0	-62.39	395.35	8.79	-53.60
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C)C(=O)[O-]	REAL300012516049	0	51	0.0	-60.19	393.35	6.66	-53.53
CCC(C)C(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516050	0	60	0.0	-61.35	445.99	8.64	-52.71
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C)CC(=O)[O-]	REAL300012516051	0	51	0.0	-62.39	395.35	8.79	-53.60
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012516052	0	58	0.0	-77.00	425.30	10.84	-66.16
CCCC(C)(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516053	0	60	0.0	-74.01	444.86	9.08	-64.93
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C(C)C	REAL300012516054	0	57	0.0	-59.22	423.02	9.76	-49.46
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012516055	0	55	0.0	-62.67	422.15	10.16	-52.51
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC	REAL300012516056	0	55	0.0	-63.97	429.97	10.32	-53.65
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012516057	0	60	0.0	-63.13	449.19	10.54	-52.59
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C)(C)C(=O)[O-]	REAL300012516058	0	54	0.0	-58.33	409.98	7.32	-51.01
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012516059	0	58	0.0	-61.85	429.00	8.79	-53.06
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012516060	0	61	0.0	-63.76	444.87	9.87	-53.89
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C(C)C	REAL300012516061	0	57	0.0	-59.22	423.02	9.76	-49.46
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC	REAL300012516062	0	57	0.0	-64.22	438.66	10.52	-53.70
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC	REAL300012516063	0	54	0.0	-59.82	413.27	9.48	-50.34
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516064	0	60	0.0	-72.20	444.94	8.60	-63.60
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012516065	0	58	0.0	-67.46	434.25	9.04	-58.42
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C)(CC)C(=O)[O-]	REAL300012516066	0	57	0.0	-72.32	419.48	8.03	-64.29
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@@H](C)C(=O)[O-]	REAL300012516067	0	51	0.0	-61.61	397.41	6.93	-54.68
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC	REAL300012516068	0	54	0.0	-59.82	413.27	9.48	-50.34
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@H](C)C(=O)[O-]	REAL300012516069	0	51	0.0	-57.77	397.40	6.92	-50.85
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC1	REAL300012516070	0	52	0.0	-75.61	399.69	7.86	-67.75
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012516071	0	56	0.0	-75.31	420.54	8.56	-66.75
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012516072	0	55	0.0	-63.13	423.48	8.41	-54.72
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(CCOC)CC(=O)[O-]	REAL300012516073	0	58	0.0	-63.83	444.66	8.66	-55.17
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012516074	0	55	0.0	-69.98	418.77	9.52	-60.46
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012516075	0	58	0.0	-78.35	428.82	10.82	-67.53
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C)[C@H](C)C(=O)[O-]	REAL300012516076	0	54	0.0	-57.65	406.38	8.73	-48.92
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012516077	0	55	0.0	-80.36	417.99	9.85	-70.51
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC1	REAL300012516078	0	55	0.0	-68.28	420.37	8.66	-59.62
C=CCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516079	0	55	0.0	-71.61	427.83	8.12	-63.49
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012516080	0	58	0.0	-78.87	431.18	10.13	-68.74
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012516081	0	61	0.0	-80.17	438.11	11.22	-68.95
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012516082	0	55	0.0	-63.13	423.48	8.41	-54.72
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C)C(C)C(=O)[O-]	REAL300012516083	0	54	0.0	-57.69	406.38	8.73	-48.96
CCCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516084	0	60	0.0	-60.47	458.34	9.20	-51.27
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012516085	0	58	0.0	-78.86	431.27	10.10	-68.76
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012516086	0	61	0.0	-63.22	449.61	11.05	-52.17
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(COC)C(=O)[O-]	REAL300012516087	0	55	0.0	-75.13	431.08	6.19	-68.94
CCCCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516088	0	63	0.0	-60.45	479.84	9.98	-50.47
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012516089	0	61	0.0	-80.29	440.43	10.44	-69.85
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012516090	0	58	0.0	-64.05	435.45	10.30	-53.75
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C1CC1	REAL300012516091	0	61	0.0	-51.29	456.16	11.43	-39.86
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012516092	0	58	0.0	-76.36	437.73	7.32	-69.04
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC	REAL300012516093	0	61	0.0	-59.39	458.34	9.07	-50.32
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012516094	0	60	0.0	-63.13	449.19	10.54	-52.59
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012516095	0	55	0.0	-62.67	422.15	10.16	-52.51
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012516096	0	56	0.0	-71.93	424.88	6.46	-65.47
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012516097	0	59	0.0	-66.44	440.19	7.65	-58.79
C=CCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516098	0	58	0.0	-62.20	453.30	9.34	-52.86
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(CF)C(=O)[O-]	REAL300012516099	0	51	0.0	-57.05	396.97	6.68	-50.37
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C)C(C)C(=O)[O-]	REAL300012516100	0	54	0.0	-57.69	406.38	8.73	-48.96
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(CC)(CC)C(=O)[O-]	REAL300012516101	0	60	0.0	-74.35	436.16	8.92	-65.43
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC	REAL300012516102	0	60	0.0	-63.47	449.58	11.20	-52.27
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012516103	0	61	0.0	-78.64	454.41	8.22	-70.42
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012516104	0	58	0.0	-72.20	446.12	9.22	-62.98
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012516105	0	58	0.0	-60.43	449.02	6.72	-53.71
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012516106	0	63	0.0	-71.59	467.50	11.29	-60.30
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012516107	0	54	0.0	-56.18	425.72	8.25	-47.93
CCCN(C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012516108	0	60	0.0	-62.12	445.30	11.09	-51.03
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012516109	0	54	0.0	-58.64	421.70	7.86	-50.78
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012516110	0	57	0.0	-69.43	426.07	8.17	-61.26
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012516111	0	55	0.0	-64.67	433.07	9.59	-55.08
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300012516112	0	54	0.0	-67.52	405.32	8.67	-58.85
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012516113	0	56	0.0	-76.91	421.18	10.20	-66.71
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012516114	0	60	0.0	-72.56	444.53	8.78	-63.78
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516115	0	55	0.0	-72.25	444.61	8.72	-63.53
C=C(C)CC(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516116	0	58	0.0	-74.18	453.08	9.13	-65.05
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012516117	0	59	0.0	-80.55	439.75	11.31	-69.24
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012516118	0	55	0.0	-71.73	430.98	10.02	-61.71
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012516119	0	55	0.0	-76.07	420.61	9.66	-66.41
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2OCC[NH+](CC)CC)C1	REAL300012516120	0	56	0.0	-79.22	432.21	9.93	-69.29
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012516121	0	60	0.0	-73.98	457.13	9.30	-64.68
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012516122	0	58	0.0	-64.75	455.16	10.11	-54.64
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012516123	0	58	0.0	-72.20	446.12	9.22	-62.98
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(CSC)C(=O)[O-]	REAL300012516124	0	55	0.0	-68.75	438.82	8.08	-60.67
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@@H](COC)C(=O)[O-]	REAL300012516125	0	55	0.0	-75.18	431.10	6.18	-69.00
CC[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516126	0	54	0.0	-72.21	415.35	7.67	-64.54
CCC(C)CC(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516127	0	63	0.0	-63.55	475.74	9.89	-53.66
C=CCCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516128	0	61	0.0	-60.03	470.91	9.83	-50.20
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012516129	0	56	0.0	-74.27	428.96	10.87	-63.40
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012516130	0	55	0.0	-69.98	418.77	9.52	-60.46
CCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516131	0	57	0.0	-63.04	440.72	8.70	-54.34
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012516132	0	57	0.0	-63.66	436.29	8.51	-55.15
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012516133	0	59	0.0	-78.73	435.34	11.15	-67.58
CCN(C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(C)(C)C(=O)[O-]	REAL300012516134	0	60	0.0	-65.82	443.45	10.73	-55.09
CCCN(C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012516135	0	60	0.0	-62.12	445.30	11.09	-51.03
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300012516136	0	57	0.0	-77.13	424.06	9.89	-67.24
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012516137	0	55	0.0	-80.36	417.99	9.85	-70.51
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012516138	0	56	0.0	-67.41	426.12	5.88	-61.53
CCC[C@@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516139	0	57	0.0	-60.49	436.86	8.42	-52.07
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012516140	0	58	0.0	-62.90	451.55	9.73	-53.17
C=CCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516141	0	58	0.0	-62.20	453.30	9.34	-52.86
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012516142	0	58	0.0	-65.65	431.20	10.12	-55.53
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C(C)C	REAL300012516143	0	57	0.0	-72.82	430.37	8.26	-64.56
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012516144	0	58	0.0	-71.95	450.88	9.76	-62.19
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300012516145	0	54	0.0	-67.52	405.32	8.67	-58.85
CCC[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516146	0	57	0.0	-73.50	440.73	8.71	-64.79
CCN(C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012516147	0	57	0.0	-59.87	426.93	9.79	-50.08
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012516148	0	61	0.0	-63.22	449.61	11.05	-52.17
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C)CC(C)C(=O)[O-]	REAL300012516149	0	57	0.0	-67.67	430.46	9.46	-58.21
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516150	0	60	0.0	-72.20	444.94	8.60	-63.60
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC	REAL300012516151	0	57	0.0	-70.18	430.87	10.14	-60.04
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012516152	0	59	0.0	-69.27	452.64	5.95	-63.32
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012516153	0	61	0.0	-67.94	455.32	9.66	-58.28
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012516154	0	58	0.0	-60.43	449.02	6.72	-53.71
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012516155	0	61	0.0	-66.25	452.91	10.08	-56.17
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012516156	0	58	0.0	-63.91	440.70	9.29	-54.62
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012516157	0	56	0.0	-71.65	424.77	6.07	-65.58
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012516158	0	59	0.0	-59.48	442.58	6.60	-52.88
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012516159	0	59	0.0	-83.19	439.70	11.00	-72.19
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012516160	0	57	0.0	-75.94	432.16	8.72	-67.22
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012516161	0	61	0.0	-76.51	446.22	11.45	-65.06
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012516162	0	58	0.0	-61.24	435.48	8.54	-52.70
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012516163	0	58	0.0	-61.24	435.48	8.54	-52.70
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012516164	0	58	0.0	-70.48	434.18	10.01	-60.47
C=CCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516165	0	55	0.0	-71.61	427.83	8.12	-63.49
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012516166	0	59	0.0	-47.13	440.68	10.85	-36.28
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012516167	0	59	0.0	-67.75	449.94	7.34	-60.41
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012516168	0	55	0.0	-66.47	428.79	8.67	-57.80
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012516169	0	59	0.0	-77.24	452.65	7.89	-69.35
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCCC1(CC)C(=O)[O-]	REAL300012516170	0	61	0.0	-65.13	444.04	10.78	-54.35
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])COC1	REAL300012516171	0	53	0.0	-60.76	407.31	5.41	-55.35
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012516172	0	60	0.0	-74.71	438.29	8.94	-65.77
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012516173	0	56	0.0	-74.90	420.88	10.76	-64.14
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012516174	0	59	0.0	-71.15	441.31	10.60	-60.55
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC	REAL300012516175	0	60	0.0	-58.15	440.06	10.47	-47.68
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012516176	0	55	0.0	-76.07	420.61	9.66	-66.41
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012516177	0	57	0.0	-62.78	429.67	10.34	-52.44
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012516178	0	61	0.0	-67.82	450.24	10.22	-57.60
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012516179	0	63	0.0	-60.58	475.91	9.72	-50.86
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012516180	0	59	0.0	-79.11	437.84	9.60	-69.51
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012516181	0	61	0.0	-60.67	457.15	9.38	-51.29
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012516182	0	58	0.0	-73.75	444.88	6.90	-66.85
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012516183	0	58	0.0	-72.41	442.25	9.67	-62.74
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012516184	0	61	0.0	-45.53	453.93	10.37	-35.16
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012516185	0	55	0.0	-80.62	425.79	9.71	-70.91
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012516186	0	61	0.0	-63.23	474.40	7.78	-55.45
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC	REAL300012516187	0	60	0.0	-69.45	447.23	10.59	-58.86
CCOCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300012516188	0	58	0.0	-74.30	449.06	6.88	-67.42
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012516189	0	63	0.0	-74.17	465.29	10.05	-64.12
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012516190	0	59	0.0	-71.77	435.94	8.89	-62.88
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012516191	0	55	0.0	-62.98	439.87	8.51	-54.47
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C)[C@H](C)C(=O)[O-]	REAL300012516192	0	54	0.0	-57.65	406.38	8.73	-48.92
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=N2)CC1	REAL300012516426	0	58	0.0	-79.05	442.38	7.34	-71.71
C=CCOCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516427	0	57	0.0	-80.93	451.05	5.81	-75.12
C=CC(C)C(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516428	0	56	0.0	-77.84	435.98	7.16	-70.68
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C)CC3C(=O)[O-])C=N2)CC1	REAL300012516429	0	59	0.0	-91.22	428.14	9.51	-81.71
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1	REAL300012516430	0	55	0.0	-67.09	423.86	8.59	-58.50
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C(C)C(=O)[O-])C3CCC3)C=N2)CC1	REAL300012516431	0	59	0.0	-64.66	431.77	9.63	-55.03
CCCN(C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(CC)C(=O)[O-]	REAL300012516432	0	61	0.0	-65.26	446.97	10.28	-54.98
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C=N2)CC1	REAL300012516433	0	55	0.0	-78.85	415.56	6.32	-72.53
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=N2)CC1	REAL300012516434	0	56	0.0	-90.80	414.01	9.17	-81.63
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=N2)CC1	REAL300012516435	0	54	0.0	-86.58	413.84	9.01	-77.57
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=N2)CC1	REAL300012516436	0	59	0.0	-83.74	433.45	8.17	-75.57
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=N2)CC1	REAL300012516437	0	53	0.0	-86.04	402.70	7.88	-78.16
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=N2)CC1	REAL300012516438	0	56	0.0	-83.74	418.94	7.08	-76.66
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(=O)[O-])C=N2)CC1	REAL300012516439	0	46	0.0	-67.12	361.82	4.16	-62.96
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300012516440	0	56	0.0	-80.39	439.86	8.12	-72.27
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300012516441	0	56	0.0	-80.93	439.97	8.11	-72.82
CCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516442	0	52	0.0	-79.34	404.44	6.01	-73.33
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C=N2)CC1	REAL300012516443	0	55	0.0	-78.85	415.56	6.32	-72.53
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=N2)CC1	REAL300012516444	0	49	0.0	-77.80	380.55	6.85	-70.95
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)C(=O)[O-])C=N2)CC1	REAL300012516445	0	49	0.0	-68.13	382.92	4.95	-63.18
CCC(C)C(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516446	0	58	0.0	-79.27	434.37	7.04	-72.23
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=N2)CC1	REAL300012516447	0	49	0.0	-77.80	380.55	6.85	-70.95
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=N2)CC1	REAL300012516448	0	56	0.0	-90.80	414.01	9.17	-81.63
CCCC(C)(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516449	0	58	0.0	-80.93	430.07	7.13	-73.80
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C=N2)CC1	REAL300012516450	0	55	0.0	-67.68	412.49	8.10	-59.58
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=N2)CC1	REAL300012516451	0	53	0.0	-80.86	402.89	8.07	-72.79
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1	REAL300012516452	0	53	0.0	-66.81	415.18	8.39	-58.42
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C=N2)CC1	REAL300012516453	0	58	0.0	-66.59	438.28	8.89	-57.70
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=N2)CC1	REAL300012516454	0	52	0.0	-66.03	395.18	5.39	-60.64
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=N2)CC1	REAL300012516455	0	56	0.0	-81.62	417.56	7.09	-74.53
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=N2)CC1	REAL300012516456	0	59	0.0	-83.74	433.45	8.17	-75.57
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C=N2)CC1	REAL300012516457	0	55	0.0	-67.68	412.49	8.10	-59.58
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1	REAL300012516458	0	55	0.0	-67.09	423.86	8.59	-58.50
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1	REAL300012516459	0	52	0.0	-78.00	402.37	7.84	-70.16
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516460	0	58	0.0	-80.08	435.17	6.93	-73.15
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=N2)CC1	REAL300012516461	0	56	0.0	-83.74	418.94	7.08	-76.66
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(CC)C(=O)[O-])C=N2)CC1	REAL300012516462	0	55	0.0	-80.52	408.57	6.39	-74.13
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H](C)C(=O)[O-])C=N2)CC1	REAL300012516463	0	49	0.0	-67.72	382.09	4.95	-62.77
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1	REAL300012516464	0	52	0.0	-78.00	402.37	7.84	-70.16
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H](C)C(=O)[O-])C=N2)CC1	REAL300012516465	0	49	0.0	-68.13	382.92	4.95	-63.18
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=N2)CC1	REAL300012516466	0	50	0.0	-85.63	388.25	6.17	-79.46
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=N2)CC1	REAL300012516467	0	54	0.0	-86.78	405.69	6.52	-80.26
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=N2)CC1	REAL300012516468	0	53	0.0	-79.00	411.36	6.49	-72.51
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CCOC)CC(=O)[O-])C=N2)CC1	REAL300012516469	0	56	0.0	-67.54	433.74	7.01	-60.53
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012516470	0	53	0.0	-85.71	403.49	7.57	-78.14
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012516471	0	56	0.0	-89.70	413.70	8.90	-80.80
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C=N2)CC1	REAL300012516472	0	52	0.0	-73.69	393.90	6.89	-66.80
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=N2)CC1	REAL300012516473	0	53	0.0	-86.35	403.42	7.60	-78.75
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=N2)CC1	REAL300012516474	0	53	0.0	-84.97	405.04	6.68	-78.29
C=CCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516475	0	53	0.0	-78.49	416.92	6.47	-72.02
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=N2)CC1	REAL300012516476	0	56	0.0	-86.09	419.76	8.44	-77.65
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCCCC3C(=O)[O-])C=N2)CC1	REAL300012516477	0	59	0.0	-88.77	426.90	9.42	-79.35
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=N2)CC1	REAL300012516478	0	53	0.0	-79.00	411.36	6.49	-72.51
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C=N2)CC1	REAL300012516479	0	52	0.0	-74.18	394.39	7.02	-67.16
CCCCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516480	0	58	0.0	-78.74	446.60	7.57	-71.17
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=N2)CC1	REAL300012516481	0	56	0.0	-86.53	420.27	8.48	-78.05
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=N2)CC1	REAL300012516482	0	59	0.0	-66.65	438.70	9.40	-57.25
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(COC)C(=O)[O-])C=N2)CC1	REAL300012516483	0	53	0.0	-80.93	416.29	4.26	-76.67
CCCCCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516484	0	61	0.0	-79.21	468.93	8.34	-70.87
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)C3(C(=O)[O-])CCCC3)C=N2)CC1	REAL300012516485	0	59	0.0	-86.70	429.38	8.79	-77.91
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C(C)C(=O)[O-])C3CC3)C=N2)CC1	REAL300012516486	0	56	0.0	-73.97	413.23	8.11	-65.86
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C1CC1	REAL300012516487	0	59	0.0	-64.91	442.29	9.70	-55.21
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(COC)C(=O)[O-])C=N2)CC1	REAL300012516488	0	56	0.0	-84.64	426.82	5.67	-78.97
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1	REAL300012516489	0	59	0.0	-75.30	447.07	7.49	-67.81
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C=N2)CC1	REAL300012516490	0	58	0.0	-66.59	438.28	8.89	-57.70
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=N2)CC1	REAL300012516491	0	53	0.0	-80.86	402.89	8.07	-72.79
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=N2)CC1	REAL300012516492	0	54	0.0	-79.53	409.58	4.47	-75.06
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOCC3)C=N2)CC1	REAL300012516493	0	57	0.0	-82.76	424.87	5.68	-77.08
C=CCCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516494	0	56	0.0	-78.90	438.75	7.34	-71.56
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=N2)CC1	REAL300012516495	0	49	0.0	-66.02	386.06	5.03	-60.99
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C=N2)CC1	REAL300012516496	0	52	0.0	-74.18	394.39	7.02	-67.16
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC)(CC)C(=O)[O-])C=N2)CC1	REAL300012516497	0	58	0.0	-81.21	424.96	7.28	-73.93
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1	REAL300012516498	0	58	0.0	-65.79	435.45	9.33	-56.46
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC)(COC)C(=O)[O-])C=N2)CC1	REAL300012516499	0	59	0.0	-86.13	443.49	6.58	-79.55
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=N2)CC1	REAL300012516500	0	56	0.0	-79.26	436.04	7.56	-71.70
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CCOC)C(=O)[O-])C=N2)CC1	REAL300012516501	0	56	0.0	-79.08	438.11	5.07	-74.01
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])C=N2)CC1	REAL300012516502	0	61	0.0	-75.22	452.72	9.35	-65.87
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=N2)CC1	REAL300012516503	0	52	0.0	-77.70	415.95	6.31	-71.39
CCCN(C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(C)C(=O)[O-]	REAL300012516504	0	58	0.0	-74.48	434.10	8.66	-65.82
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=N2)CC1	REAL300012516505	0	52	0.0	-77.01	410.20	6.17	-70.84
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=N2)CC1	REAL300012516506	0	55	0.0	-77.16	415.17	6.53	-70.63
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012516507	0	53	0.0	-78.13	416.46	7.74	-70.39
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C=N2)CC1	REAL300012516508	0	52	0.0	-73.45	394.94	7.04	-66.41
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=N2)CC1	REAL300012516509	0	54	0.0	-91.53	409.94	8.53	-83.00
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N2)CC1	REAL300012516510	0	58	0.0	-79.21	433.11	7.09	-72.12
C=C(Cl)CC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516511	0	53	0.0	-79.34	432.87	7.09	-72.25
C=C(C)CC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516512	0	56	0.0	-79.50	438.03	7.19	-72.31
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)C=N2)CC1	REAL300012516513	0	57	0.0	-91.45	422.48	9.35	-82.10
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=N2)CC1	REAL300012516514	0	53	0.0	-77.75	416.43	7.78	-69.97
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=N2)CC1	REAL300012516515	0	53	0.0	-82.83	409.19	7.97	-74.86
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CC[NH+](CC)CC3)N=C2)C1	REAL300012516516	0	54	0.0	-86.14	416.93	7.95	-78.19
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=N2)CC1	REAL300012516517	0	58	0.0	-79.05	442.38	7.34	-71.71
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300012516518	0	56	0.0	-80.93	439.97	8.11	-72.82
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=N2)CC1	REAL300012516519	0	56	0.0	-79.26	436.04	7.56	-71.70
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CSC)C(=O)[O-])C=N2)CC1	REAL300012516520	0	53	0.0	-76.61	427.23	6.46	-70.15
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H](COC)C(=O)[O-])C=N2)CC1	REAL300012516521	0	53	0.0	-80.92	416.29	4.26	-76.66
CC[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516522	0	52	0.0	-78.94	403.92	5.98	-72.96
CCC(C)CC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516523	0	61	0.0	-79.72	461.37	7.97	-71.75
C=CCCCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516524	0	59	0.0	-78.39	459.42	8.13	-70.26
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=N2)CC1	REAL300012516525	0	54	0.0	-86.58	413.84	9.01	-77.57
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012516526	0	53	0.0	-85.71	403.49	7.57	-78.14
CCCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516527	0	55	0.0	-78.77	425.10	6.79	-71.98
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C=N2)CC1	REAL300012516528	0	55	0.0	-79.27	421.47	6.58	-72.69
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C=N2)CC1	REAL300012516529	0	57	0.0	-91.48	424.34	9.43	-82.05
CCN(C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(C)(C)C(=O)[O-]	REAL300012516530	0	58	0.0	-83.35	429.11	8.77	-74.58
CCCN(C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(C)C(=O)[O-]	REAL300012516531	0	58	0.0	-74.48	434.10	8.66	-65.82
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=N2)CC1	REAL300012516532	0	55	0.0	-83.15	409.67	7.90	-75.25
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=N2)CC1	REAL300012516533	0	53	0.0	-86.35	403.42	7.60	-78.75
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012516534	0	54	0.0	-87.74	416.09	4.08	-83.66
CCC[C@@H](NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516535	0	55	0.0	-78.29	425.69	6.84	-71.45
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300012516536	0	56	0.0	-80.39	439.86	8.12	-72.27
C=CCCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516537	0	56	0.0	-78.90	438.75	7.34	-71.56
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=N2)CC1	REAL300012516538	0	56	0.0	-85.90	420.32	8.48	-77.42
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C=N2)CC1	REAL300012516539	0	55	0.0	-79.55	420.96	6.54	-73.01
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300012516540	0	56	0.0	-81.42	440.57	8.08	-73.34
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C=N2)CC1	REAL300012516541	0	52	0.0	-73.45	394.94	7.04	-66.41
CCC[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516542	0	55	0.0	-78.58	425.18	6.80	-71.78
CCN(C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(C)C(=O)[O-]	REAL300012516543	0	55	0.0	-73.70	411.64	7.76	-65.94
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=N2)CC1	REAL300012516544	0	59	0.0	-66.65	438.70	9.40	-57.25
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)CC(C)C(=O)[O-])C=N2)CC1	REAL300012516545	0	55	0.0	-76.89	414.79	7.49	-69.40
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516546	0	58	0.0	-80.08	435.17	6.93	-73.15
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1	REAL300012516547	0	55	0.0	-74.29	414.31	8.12	-66.17
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)C=N2)CC1	REAL300012516548	0	57	0.0	-85.04	437.33	3.97	-81.07
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC(C)C3)C=N2)CC1	REAL300012516549	0	59	0.0	-84.19	440.51	7.75	-76.44
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CCOC)C(=O)[O-])C=N2)CC1	REAL300012516550	0	56	0.0	-79.08	438.11	5.07	-74.01
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=N2)CC1	REAL300012516551	0	59	0.0	-85.25	441.48	8.40	-76.85
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=N2)CC1	REAL300012516552	0	56	0.0	-80.58	432.73	7.05	-73.53
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012516553	0	54	0.0	-91.59	413.37	4.38	-87.21
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCOC3)C=N2)CC1	REAL300012516554	0	57	0.0	-78.76	430.70	5.01	-73.75
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=N2)CC1	REAL300012516555	0	57	0.0	-90.59	424.41	9.03	-81.56
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)C=N2)CC1	REAL300012516556	0	55	0.0	-87.03	417.32	6.71	-80.32
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CC(C)CCC3C(=O)[O-])C=N2)CC1	REAL300012516557	0	59	0.0	-90.64	435.45	9.80	-80.84
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=N2)CC1	REAL300012516558	0	56	0.0	-80.44	424.58	6.87	-73.57
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=N2)CC1	REAL300012516559	0	56	0.0	-80.44	424.58	6.87	-73.57
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C)C3C(=O)[O-])C=N2)CC1	REAL300012516560	0	56	0.0	-86.76	418.85	8.04	-78.72
C=CCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516561	0	53	0.0	-78.49	416.92	6.47	-72.02
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=N2)CC1	REAL300012516562	0	57	0.0	-65.59	425.56	8.91	-56.68
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(OC)C3)C=N2)CC1	REAL300012516563	0	57	0.0	-86.55	438.52	5.65	-80.90
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=N2)CC1	REAL300012516564	0	53	0.0	-82.15	413.47	6.71	-75.44
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@]3(C(=O)[O-])C[C@H](OC)C3)C=N2)CC1	REAL300012516565	0	57	0.0	-80.38	436.52	5.55	-74.83
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC3(CC)C(=O)[O-])C=N2)CC1	REAL300012516566	0	59	0.0	-86.74	435.58	9.58	-77.16
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=N2)CC1	REAL300012516567	0	51	0.0	-78.13	396.39	3.77	-74.36
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C=N2)CC1	REAL300012516568	0	58	0.0	-81.06	425.30	7.08	-73.98
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012516569	0	54	0.0	-89.52	410.01	9.09	-80.43
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012516570	0	57	0.0	-87.34	426.03	8.66	-78.68
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1	REAL300012516571	0	58	0.0	-75.68	429.46	8.90	-66.78
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=N2)CC1	REAL300012516572	0	53	0.0	-82.83	409.19	7.97	-74.86
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=N2)CC1	REAL300012516573	0	55	0.0	-66.58	419.28	8.74	-57.84
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])C=N2)CC1	REAL300012516574	0	59	0.0	-87.55	435.01	8.83	-78.72
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CCC(C)C)C(=O)[O-])C=N2)CC1	REAL300012516575	0	61	0.0	-78.92	464.17	8.10	-70.82
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC4CC43)C=N2)CC1	REAL300012516576	0	57	0.0	-85.73	426.41	7.92	-77.81
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCC3)C=N2)CC1	REAL300012516577	0	59	0.0	-79.99	440.25	7.52	-72.47
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=N2)CC1	REAL300012516578	0	56	0.0	-80.16	433.79	5.27	-74.89
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C=N2)CC1	REAL300012516579	0	56	0.0	-86.93	426.95	7.71	-79.22
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])C=N2)CC1	REAL300012516580	0	59	0.0	-64.91	442.51	8.68	-56.23
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])C=N2)CC1	REAL300012516581	0	53	0.0	-88.10	414.36	8.02	-80.08
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CCCOC)C(=O)[O-])C=N2)CC1	REAL300012516582	0	59	0.0	-78.90	459.61	5.84	-73.06
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1	REAL300012516583	0	58	0.0	-74.82	436.32	8.94	-65.88
CCOCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300012516584	0	56	0.0	-81.34	438.15	5.23	-76.11
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=N2)CC1	REAL300012516585	0	61	0.0	-79.31	455.27	8.41	-70.90
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])C=N2)CC1	REAL300012516586	0	57	0.0	-85.69	424.67	7.20	-78.49
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=N2)CC1	REAL300012516587	0	53	0.0	-79.00	424.45	6.54	-72.46
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C=N2)CC1	REAL300012516588	0	52	0.0	-73.69	393.90	6.89	-66.80
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2)CC1	REAL300012516589	0	62	0.0	-78.75	469.72	8.15	-70.60
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2)CC1	REAL300012516589	1	62	0.0	-80.09	469.84	8.23	-71.86
C=CC(C)C(NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516590	0	60	0.0	-78.64	455.53	7.68	-70.96
C=CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516590	1	60	0.0	-79.84	462.92	8.02	-71.82
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1	REAL300012516591	0	59	0.0	-68.55	450.44	9.42	-59.13
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1	REAL300012516591	1	59	0.0	-66.50	450.81	9.44	-57.06
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C=C2)CC1	REAL300012516592	0	59	0.0	-77.30	442.47	7.25	-70.05
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C=C2)CC1	REAL300012516592	1	59	0.0	-81.01	443.49	7.19	-73.82
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300012516593	0	60	0.0	-88.90	441.82	10.03	-78.87
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300012516593	1	60	0.0	-92.20	441.68	10.02	-82.18
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=C2)CC1	REAL300012516594	0	57	0.0	-85.03	432.44	8.37	-76.66
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=C2)CC1	REAL300012516594	1	57	0.0	-87.29	430.13	8.78	-78.51
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012516595	0	60	0.0	-83.63	445.94	7.96	-75.67
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012516595	1	60	0.0	-85.56	445.81	7.94	-77.62
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCC(=O)[O-])C=C2)CC1	REAL300012516596	0	50	0.0	-66.51	388.40	4.99	-61.52
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCC(=O)[O-])C=C2)CC1	REAL300012516596	1	50	0.0	-68.05	388.77	5.01	-63.04
CCC(NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516597	0	56	0.0	-77.39	431.02	6.84	-70.55
CCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516597	1	56	0.0	-80.44	431.39	6.86	-73.58
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C=C2)CC1	REAL300012516598	0	59	0.0	-77.30	442.47	7.25	-70.05
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C=C2)CC1	REAL300012516598	1	59	0.0	-81.01	443.49	7.19	-73.82
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2)CC1	REAL300012516599	0	53	0.0	-76.44	407.14	7.68	-68.76
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2)CC1	REAL300012516599	1	53	0.0	-79.82	407.51	7.70	-72.12
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C)C(=O)[O-])C=C2)CC1	REAL300012516600	0	53	0.0	-67.51	409.50	5.78	-61.73
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C)C(=O)[O-])C=C2)CC1	REAL300012516600	1	53	0.0	-68.86	409.55	5.84	-63.02
CCC(C)C(NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516601	0	62	0.0	-77.79	463.22	7.99	-69.80
CCC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516601	1	62	0.0	-81.93	466.36	8.08	-73.85
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2)CC1	REAL300012516602	0	53	0.0	-76.44	407.14	7.68	-68.76
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2)CC1	REAL300012516602	1	53	0.0	-79.82	407.51	7.70	-72.12
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300012516603	0	60	0.0	-88.90	441.82	10.03	-78.87
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300012516603	1	60	0.0	-92.20	441.68	10.02	-82.18
CCCC(C)(NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516604	0	62	0.0	-78.86	456.66	7.97	-70.89
CCCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516604	1	62	0.0	-82.19	457.02	8.00	-74.19
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C=C2)CC1	REAL300012516605	0	59	0.0	-69.22	439.08	8.93	-60.29
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C=C2)CC1	REAL300012516605	1	59	0.0	-67.09	439.44	8.96	-58.13
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300012516606	0	57	0.0	-65.11	433.00	9.26	-55.85
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300012516606	1	57	0.0	-64.52	432.86	9.23	-55.29
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1	REAL300012516607	0	57	0.0	-68.48	441.75	9.22	-59.26
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1	REAL300012516607	1	57	0.0	-66.25	442.13	9.24	-57.01
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C=C2)CC1	REAL300012516608	0	62	0.0	-68.66	465.11	9.94	-58.72
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C=C2)CC1	REAL300012516608	1	62	0.0	-66.50	465.47	9.96	-56.54
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C2)CC1	REAL300012516609	0	56	0.0	-65.57	421.76	6.22	-59.35
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C2)CC1	REAL300012516609	1	56	0.0	-66.70	422.13	6.24	-60.46
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012516610	0	60	0.0	-82.34	444.65	7.97	-74.37
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012516610	1	60	0.0	-83.09	445.02	7.98	-75.11
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C=C2)CC1	REAL300012516611	0	59	0.0	-69.22	439.08	8.93	-60.29
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C=C2)CC1	REAL300012516611	1	59	0.0	-67.09	439.44	8.96	-58.13
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1	REAL300012516612	0	59	0.0	-68.55	450.44	9.42	-59.13
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1	REAL300012516612	1	59	0.0	-66.50	450.81	9.44	-57.06
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1	REAL300012516613	0	56	0.0	-76.61	428.95	8.66	-67.95
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1	REAL300012516613	1	56	0.0	-80.22	429.32	8.68	-71.54
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516614	0	62	0.0	-77.60	460.60	7.78	-69.82
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516614	1	62	0.0	-81.22	462.62	7.83	-73.39
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012516615	0	60	0.0	-83.63	445.94	7.96	-75.67
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012516615	1	60	0.0	-85.56	445.81	7.94	-77.62
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C)(CC)C(=O)[O-])C=C2)CC1	REAL300012516616	0	59	0.0	-78.43	435.16	7.22	-71.21
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C)(CC)C(=O)[O-])C=C2)CC1	REAL300012516616	1	59	0.0	-81.87	435.52	7.24	-74.63
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@@H](C)C(=O)[O-])C=C2)CC1	REAL300012516617	0	53	0.0	-65.31	409.19	5.82	-59.49
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@@H](C)C(=O)[O-])C=C2)CC1	REAL300012516617	1	53	0.0	-68.91	409.39	5.87	-63.04
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1	REAL300012516618	0	56	0.0	-76.61	428.95	8.66	-67.95
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1	REAL300012516618	1	56	0.0	-80.22	429.32	8.68	-71.54
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@H](C)C(=O)[O-])C=C2)CC1	REAL300012516619	0	53	0.0	-65.80	409.19	5.82	-59.98
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@H](C)C(=O)[O-])C=C2)CC1	REAL300012516619	1	53	0.0	-69.40	409.87	5.81	-63.59
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=C2)CC1	REAL300012516620	0	54	0.0	-84.31	415.85	7.07	-77.24
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=C2)CC1	REAL300012516620	1	54	0.0	-86.87	415.71	7.06	-79.81
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=C2)CC1	REAL300012516621	0	58	0.0	-84.84	432.75	7.50	-77.34
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=C2)CC1	REAL300012516621	1	58	0.0	-88.13	432.64	7.39	-80.74
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012516622	0	57	0.0	-80.09	437.40	7.34	-72.75
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012516622	1	57	0.0	-79.70	438.30	7.35	-72.35
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(CCOC)CC(=O)[O-])C=C2)CC1	REAL300012516623	0	60	0.0	-69.29	460.33	7.84	-61.45
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(CCOC)CC(=O)[O-])C=C2)CC1	REAL300012516623	1	60	0.0	-66.83	460.69	7.87	-58.96
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012516624	0	57	0.0	-82.96	429.61	8.28	-74.68
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012516624	1	57	0.0	-87.80	430.90	8.47	-79.33
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012516625	0	60	0.0	-87.81	441.14	9.82	-77.99
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012516625	1	60	0.0	-91.17	441.01	9.80	-81.37
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C=C2)CC1	REAL300012516626	0	56	0.0	-72.25	421.54	7.81	-64.44
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C=C2)CC1	REAL300012516626	1	56	0.0	-74.81	422.41	7.94	-66.87
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012516627	0	57	0.0	-83.06	428.91	8.59	-74.47
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012516627	1	57	0.0	-87.35	429.77	8.71	-78.64
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300012516628	0	57	0.0	-83.83	432.64	7.59	-76.24
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300012516628	1	57	0.0	-86.03	432.50	7.57	-78.46
C=CCC(NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516629	0	57	0.0	-76.93	444.30	7.29	-69.64
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516629	1	57	0.0	-79.69	444.42	7.38	-72.31
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=C2)CC1	REAL300012516630	0	60	0.0	-85.11	446.85	9.31	-75.80
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=C2)CC1	REAL300012516630	1	60	0.0	-87.31	447.27	9.32	-77.99
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012516631	0	57	0.0	-80.09	437.40	7.34	-72.75
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012516631	1	57	0.0	-79.70	438.30	7.35	-72.35
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C=C2)CC1	REAL300012516632	0	56	0.0	-73.30	420.97	7.85	-65.45
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C=C2)CC1	REAL300012516632	1	56	0.0	-75.46	421.34	7.87	-67.59
CCCCC(NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516633	0	62	0.0	-76.89	473.77	8.45	-68.44
CCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516633	1	62	0.0	-80.34	474.39	8.41	-71.93
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)CC1	REAL300012516634	0	60	0.0	-84.01	446.94	9.29	-74.72
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)CC1	REAL300012516634	1	60	0.0	-87.24	447.29	9.31	-77.93
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(COC)C(=O)[O-])C=C2)CC1	REAL300012516635	0	57	0.0	-78.93	442.74	5.13	-73.80
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(COC)C(=O)[O-])C=C2)CC1	REAL300012516635	1	57	0.0	-81.87	443.24	5.10	-76.77
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(C(C)C(=O)[O-])C3CC3)C=C2)CC1	REAL300012516636	0	60	0.0	-66.10	446.50	9.07	-57.03
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(C(C)C(=O)[O-])C3CC3)C=C2)CC1	REAL300012516636	1	60	0.0	-67.58	447.75	9.26	-58.32
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C)(COC)C(=O)[O-])C=C2)CC1	REAL300012516637	0	60	0.0	-83.40	453.40	6.50	-76.90
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C)(COC)C(=O)[O-])C=C2)CC1	REAL300012516637	1	60	0.0	-86.06	453.77	6.53	-79.53
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C=C2)CC1	REAL300012516638	0	62	0.0	-68.66	465.11	9.94	-58.72
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C=C2)CC1	REAL300012516638	1	62	0.0	-66.50	465.47	9.96	-56.54
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300012516639	0	57	0.0	-65.11	433.00	9.26	-55.85
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300012516639	1	57	0.0	-64.52	432.86	9.23	-55.29
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300012516640	0	58	0.0	-77.71	437.04	5.40	-72.31
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300012516640	1	58	0.0	-80.64	437.03	5.37	-75.27
C=CCCC(NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516641	0	60	0.0	-76.70	465.09	8.23	-68.47
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516641	1	60	0.0	-79.83	465.45	8.25	-71.58
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C2)CC1	REAL300012516642	0	53	0.0	-65.40	412.81	5.83	-59.57
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C2)CC1	REAL300012516642	1	53	0.0	-67.49	413.49	5.84	-61.65
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C=C2)CC1	REAL300012516643	0	56	0.0	-73.30	420.97	7.85	-65.45
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C=C2)CC1	REAL300012516643	1	56	0.0	-75.46	421.34	7.87	-67.59
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CC)(CC)C(=O)[O-])C=C2)CC1	REAL300012516644	0	62	0.0	-80.72	451.83	8.11	-72.61
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(CC)(CC)C(=O)[O-])C=C2)CC1	REAL300012516644	1	62	0.0	-83.27	451.90	8.13	-75.14
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1	REAL300012516645	0	62	0.0	-67.65	462.27	10.10	-57.55
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1	REAL300012516645	1	62	0.0	-64.76	462.63	10.12	-54.64
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300012516646	0	60	0.0	-78.20	462.62	8.39	-69.81
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300012516646	1	60	0.0	-80.25	463.51	8.29	-71.96
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CCOC)C(=O)[O-])C=C2)CC1	REAL300012516647	0	60	0.0	-77.00	464.69	5.90	-71.10
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(CCOC)C(=O)[O-])C=C2)CC1	REAL300012516647	1	60	0.0	-80.11	465.06	5.92	-74.19
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C2)CC1	REAL300012516648	0	56	0.0	-75.86	443.37	7.13	-68.73
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C2)CC1	REAL300012516648	1	56	0.0	-78.99	443.49	7.21	-71.78
CCCN(C(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(C)C(=O)[O-]	REAL300012516649	0	62	0.0	-73.26	460.10	9.38	-63.88
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(C)C(=O)[O-]	REAL300012516649	1	62	0.0	-82.84	463.78	10.16	-72.68
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C2)CC1	REAL300012516650	0	56	0.0	-75.05	437.37	7.04	-68.01
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C2)CC1	REAL300012516650	1	56	0.0	-78.52	437.98	7.00	-71.52
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C2)CC1	REAL300012516651	0	59	0.0	-75.00	441.75	7.36	-67.64
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C2)CC1	REAL300012516651	1	59	0.0	-78.37	442.11	7.38	-70.99
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)CC1	REAL300012516652	0	56	0.0	-73.05	422.35	7.97	-65.08
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)CC1	REAL300012516652	1	56	0.0	-74.84	422.71	7.99	-66.85
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)CC1	REAL300012516653	0	58	0.0	-89.67	437.58	9.43	-80.24
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)CC1	REAL300012516653	1	58	0.0	-92.96	437.44	9.41	-83.55
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300012516654	0	62	0.0	-78.77	461.81	7.95	-70.82
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300012516654	1	62	0.0	-81.46	462.17	7.98	-73.48
C=C(C)CC(NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516655	0	60	0.0	-77.55	464.16	8.14	-69.41
C=C(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516655	1	60	0.0	-81.03	464.53	8.16	-72.87
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012516656	0	57	0.0	-81.92	436.27	8.84	-73.08
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012516656	1	57	0.0	-84.06	436.61	8.87	-75.19
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(CN3CC[NH+](CC)CC3)C=C2)C1	REAL300012516657	0	58	0.0	-83.98	443.09	8.64	-75.34
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCN(CC)CC3)C=C2)C1	REAL300012516657	1	58	0.0	-87.41	444.32	8.88	-78.53
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2)CC1	REAL300012516658	0	62	0.0	-78.75	469.72	8.15	-70.60
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2)CC1	REAL300012516658	1	62	0.0	-80.09	469.84	8.23	-71.86
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300012516659	0	60	0.0	-78.20	462.62	8.39	-69.81
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300012516659	1	60	0.0	-80.25	463.51	8.29	-71.96
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CSC)C(=O)[O-])C=C2)CC1	REAL300012516660	0	57	0.0	-75.32	454.48	7.26	-68.06
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(CSC)C(=O)[O-])C=C2)CC1	REAL300012516660	1	57	0.0	-78.07	454.84	7.28	-70.79
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@@H](COC)C(=O)[O-])C=C2)CC1	REAL300012516661	0	57	0.0	-78.68	442.88	5.09	-73.59
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@@H](COC)C(=O)[O-])C=C2)CC1	REAL300012516661	1	57	0.0	-81.61	443.24	5.10	-76.51
CC[C@H](NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516662	0	56	0.0	-76.76	430.18	6.85	-69.91
CC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516662	1	56	0.0	-80.02	431.38	6.86	-73.16
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012516663	0	57	0.0	-82.96	429.61	8.28	-74.68
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012516663	1	57	0.0	-87.80	430.90	8.47	-79.33
CCCC(NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516664	0	59	0.0	-76.99	452.27	7.67	-69.32
CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516664	1	59	0.0	-80.46	452.89	7.63	-72.83
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2)CC1	REAL300012516665	0	59	0.0	-78.62	442.46	7.25	-71.37
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2)CC1	REAL300012516665	1	59	0.0	-80.69	443.49	7.19	-73.50
CCN(C(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012516666	0	62	0.0	-81.76	455.74	9.63	-72.13
CCN(C(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012516666	1	62	0.0	-85.88	456.11	9.64	-76.24
CCCN(C(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(C)C(=O)[O-]	REAL300012516667	0	62	0.0	-73.26	460.10	9.38	-63.88
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(C)C(=O)[O-]	REAL300012516667	1	62	0.0	-82.84	463.78	10.16	-72.68
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=C2)CC1	REAL300012516668	0	59	0.0	-81.61	436.15	8.76	-72.85
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=C2)CC1	REAL300012516668	1	59	0.0	-85.60	436.52	8.78	-76.82
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012516669	0	57	0.0	-83.06	428.91	8.59	-74.47
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012516669	1	57	0.0	-87.35	429.77	8.71	-78.64
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012516670	0	58	0.0	-85.41	442.29	5.10	-80.31
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012516670	1	58	0.0	-90.11	442.16	5.08	-85.03
CCC[C@@H](NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516671	0	59	0.0	-78.53	452.52	7.61	-70.92
CCC[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516671	1	59	0.0	-80.10	452.88	7.63	-72.47
C=CCCC(NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516672	0	60	0.0	-76.70	465.09	8.23	-68.47
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516672	1	60	0.0	-79.83	465.45	8.25	-71.58
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)CC1	REAL300012516673	0	60	0.0	-84.04	447.41	9.33	-74.71
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)CC1	REAL300012516673	1	60	0.0	-87.34	447.24	9.33	-78.01
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C=C2)CC1	REAL300012516674	0	59	0.0	-78.91	448.05	7.42	-71.49
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C=C2)CC1	REAL300012516674	1	59	0.0	-80.54	444.07	7.19	-73.35
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)CC1	REAL300012516675	0	56	0.0	-73.05	422.35	7.97	-65.08
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)CC1	REAL300012516675	1	56	0.0	-74.84	422.71	7.99	-66.85
CCC[C@H](NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516676	0	59	0.0	-77.26	452.52	7.61	-69.65
CCC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516676	1	59	0.0	-79.98	452.88	7.63	-72.35
CCN(C(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(C)C(=O)[O-]	REAL300012516677	0	59	0.0	-79.50	441.95	9.39	-70.11
CCN(C(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(C)C(=O)[O-]	REAL300012516677	1	59	0.0	-83.31	442.16	9.39	-73.92
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(C)CC(C)C(=O)[O-])C=C2)CC1	REAL300012516678	0	59	0.0	-74.72	441.36	8.32	-66.40
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(C)CC(C)C(=O)[O-])C=C2)CC1	REAL300012516678	1	59	0.0	-78.90	442.61	8.37	-70.53
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516679	0	62	0.0	-77.60	460.60	7.78	-69.82
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516679	1	62	0.0	-81.22	462.62	7.83	-73.39
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1	REAL300012516680	0	59	0.0	-71.96	441.40	9.00	-62.96
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1	REAL300012516680	1	59	0.0	-75.11	442.34	8.91	-66.20
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CCOC)C(=O)[O-])C=C2)CC1	REAL300012516681	0	60	0.0	-77.00	464.69	5.90	-71.10
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(CCOC)C(=O)[O-])C=C2)CC1	REAL300012516681	1	60	0.0	-80.11	465.06	5.92	-74.19
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)CC1	REAL300012516682	0	60	0.0	-81.42	454.62	8.20	-73.22
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)CC1	REAL300012516682	1	60	0.0	-82.81	454.99	8.23	-74.58
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012516683	0	58	0.0	-90.81	442.26	5.26	-85.55
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012516683	1	58	0.0	-94.27	442.13	5.24	-89.03
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC1	REAL300012516684	0	60	0.0	-78.02	455.89	7.89	-70.13
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC1	REAL300012516684	1	60	0.0	-81.40	458.15	7.91	-73.49
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC1	REAL300012516685	0	60	0.0	-78.02	455.89	7.89	-70.13
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC1	REAL300012516685	1	60	0.0	-81.40	458.15	7.91	-73.49
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC(C)C3C(=O)[O-])C=C2)CC1	REAL300012516686	0	60	0.0	-86.44	451.63	9.09	-77.35
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(C)C3C(=O)[O-])C=C2)CC1	REAL300012516686	1	60	0.0	-88.77	451.50	9.07	-79.70
C=CCC(NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516687	0	57	0.0	-76.93	444.30	7.29	-69.64
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516687	1	57	0.0	-79.69	444.42	7.38	-72.31
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=C2)CC1	REAL300012516688	0	55	0.0	-77.22	423.62	4.62	-72.60
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=C2)CC1	REAL300012516688	1	55	0.0	-79.40	423.48	4.61	-74.79
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C=C2)CC1	REAL300012516689	0	62	0.0	-80.13	450.07	7.84	-72.29
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C=C2)CC1	REAL300012516689	1	62	0.0	-82.68	450.45	7.87	-74.81
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012516690	0	58	0.0	-88.67	437.96	9.96	-78.71
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012516690	1	58	0.0	-92.10	437.82	9.94	-82.16
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1	REAL300012516691	0	62	0.0	-73.16	455.72	9.66	-63.50
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1	REAL300012516691	1	62	0.0	-76.31	455.59	9.57	-66.74
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012516692	0	57	0.0	-81.92	436.27	8.84	-73.08
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012516692	1	57	0.0	-84.06	436.61	8.87	-75.19
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)CC1	REAL300012516693	0	59	0.0	-69.24	446.36	9.61	-59.63
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)CC1	REAL300012516693	1	59	0.0	-66.15	446.23	9.59	-56.56
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C2)CC1	REAL300012516694	0	60	0.0	-79.76	460.88	6.15	-73.61
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C2)CC1	REAL300012516694	1	60	0.0	-81.39	461.38	6.11	-75.28
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C=C2)CC1	REAL300012516695	0	60	0.0	-85.06	453.65	8.45	-76.61
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C=C2)CC1	REAL300012516695	1	60	0.0	-88.38	454.39	8.60	-79.78
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1	REAL300012516696	0	62	0.0	-72.77	463.98	9.76	-63.01
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1	REAL300012516696	1	62	0.0	-75.56	463.85	9.68	-65.88
CCOCC(NC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300012516697	0	60	0.0	-79.41	464.73	6.06	-73.35
CCOCC(NC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300012516697	1	60	0.0	-82.33	465.10	6.08	-76.25
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C2)CC1	REAL300012516698	0	57	0.0	-77.27	451.88	7.34	-69.93
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C2)CC1	REAL300012516698	1	57	0.0	-80.18	452.00	7.43	-72.75
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C=C2)CC1	REAL300012516699	0	56	0.0	-72.25	421.54	7.81	-64.44
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C=C2)CC1	REAL300012516699	1	56	0.0	-74.81	422.41	7.94	-66.87
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012516700	0	62	0.0	-79.11	458.30	9.01	-70.10
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012516700	1	62	0.0	-74.33	461.23	8.14	-66.19
C=CC(C)C(NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516701	0	60	0.0	-55.55	456.72	8.77	-46.78
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516701	1	60	0.0	-68.54	448.49	8.63	-59.91
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1	REAL300012516702	0	59	0.0	-62.31	441.17	10.00	-52.31
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1	REAL300012516702	1	59	0.0	-55.37	440.55	10.31	-45.06
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012516703	0	59	0.0	-76.48	439.44	8.20	-68.28
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012516703	1	59	0.0	-65.36	435.12	8.20	-57.16
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012516704	0	60	0.0	-84.69	434.75	10.70	-73.99
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012516704	1	60	0.0	-70.91	432.49	10.96	-59.95
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012516705	0	57	0.0	-84.08	418.70	9.28	-74.80
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012516705	1	57	0.0	-71.92	419.97	9.64	-62.28
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012516706	0	60	0.0	-64.88	441.79	8.95	-55.93
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012516706	1	60	0.0	-57.09	437.25	8.87	-48.22
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCC(=O)[O-])CC1	REAL300012516707	0	50	0.0	-49.93	384.07	6.06	-43.87
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC(=O)[O-])CC1	REAL300012516707	1	50	0.0	-52.77	379.64	5.91	-46.86
CCC(NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516708	0	56	0.0	-75.05	421.14	7.69	-67.36
CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516708	1	56	0.0	-55.12	421.29	7.70	-47.42
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012516709	0	59	0.0	-76.48	439.44	8.20	-68.28
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012516709	1	59	0.0	-65.36	435.12	8.20	-57.16
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(C)CC(=O)[O-])CC1	REAL300012516710	0	53	0.0	-55.65	396.04	8.16	-47.49
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)CC(=O)[O-])CC1	REAL300012516710	1	53	0.0	-53.91	396.41	8.49	-45.42
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C)C(=O)[O-])CC1	REAL300012516711	0	53	0.0	-55.32	404.79	6.86	-48.46
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C)C(=O)[O-])CC1	REAL300012516711	1	53	0.0	-51.48	400.43	6.74	-44.74
CCC(C)C(NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516712	0	62	0.0	-56.42	454.82	8.69	-47.73
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516712	1	62	0.0	-55.44	451.93	8.69	-46.75
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(C)CC(=O)[O-])CC1	REAL300012516713	0	53	0.0	-55.65	396.04	8.16	-47.49
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)CC(=O)[O-])CC1	REAL300012516713	1	53	0.0	-53.91	396.41	8.49	-45.42
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012516714	0	60	0.0	-84.69	434.75	10.70	-73.99
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012516714	1	60	0.0	-70.91	432.49	10.96	-59.95
CCCC(C)(NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516715	0	62	0.0	-78.17	452.41	9.00	-69.17
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516715	1	62	0.0	-67.19	447.90	8.90	-58.29
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012516716	0	59	0.0	-68.70	435.45	9.76	-58.94
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012516716	1	59	0.0	-61.39	432.54	8.97	-52.42
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012516717	0	57	0.0	-68.83	429.28	9.80	-59.03
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012516717	1	57	0.0	-62.88	426.70	9.09	-53.79
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1	REAL300012516718	0	57	0.0	-61.31	432.51	9.79	-51.52
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1	REAL300012516718	1	57	0.0	-55.07	431.84	10.11	-44.96
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012516719	0	62	0.0	-62.44	455.69	10.29	-52.15
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012516719	1	62	0.0	-55.42	455.03	10.62	-44.80
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012516720	0	56	0.0	-48.76	417.45	7.28	-41.48
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012516720	1	56	0.0	-52.44	413.01	7.14	-45.30
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012516721	0	60	0.0	-62.21	440.43	8.96	-53.25
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012516721	1	60	0.0	-54.71	435.92	8.89	-45.82
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012516722	0	59	0.0	-68.70	435.45	9.76	-58.94
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012516722	1	59	0.0	-61.39	432.54	8.97	-52.42
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1	REAL300012516723	0	59	0.0	-62.31	441.17	10.00	-52.31
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1	REAL300012516723	1	59	0.0	-55.37	440.55	10.31	-45.06
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1	REAL300012516724	0	56	0.0	-56.01	417.86	9.12	-46.89
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1	REAL300012516724	1	56	0.0	-53.84	418.20	9.47	-44.37
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516725	0	62	0.0	-77.60	458.09	8.80	-68.80
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516725	1	62	0.0	-66.56	451.86	8.71	-57.85
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012516726	0	60	0.0	-64.88	441.79	8.95	-55.93
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012516726	1	60	0.0	-57.09	437.25	8.87	-48.22
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C)(CC)C(=O)[O-])CC1	REAL300012516727	0	59	0.0	-77.57	430.91	8.24	-69.33
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C)(CC)C(=O)[O-])CC1	REAL300012516727	1	59	0.0	-66.87	426.40	8.14	-58.73
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300012516728	0	53	0.0	-55.43	404.90	6.82	-48.61
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300012516728	1	53	0.0	-55.44	400.50	6.73	-48.71
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1	REAL300012516729	0	56	0.0	-56.01	417.86	9.12	-46.89
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1	REAL300012516729	1	56	0.0	-53.84	418.20	9.47	-44.37
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@H](C)C(=O)[O-])CC1	REAL300012516730	0	53	0.0	-47.56	405.29	6.80	-40.76
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H](C)C(=O)[O-])CC1	REAL300012516730	1	53	0.0	-51.39	400.45	6.75	-44.64
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012516731	0	54	0.0	-71.38	411.16	8.06	-63.32
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012516731	1	54	0.0	-70.32	406.64	7.97	-62.35
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012516732	0	58	0.0	-79.16	427.14	8.07	-71.09
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012516732	1	58	0.0	-69.30	423.09	8.32	-60.98
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012516733	0	57	0.0	-56.92	431.62	8.06	-48.86
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012516733	1	57	0.0	-54.54	425.79	8.17	-46.37
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(CCOC)CC(=O)[O-])CC1	REAL300012516734	0	60	0.0	-61.52	451.06	8.41	-53.11
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(CCOC)CC(=O)[O-])CC1	REAL300012516734	1	60	0.0	-55.85	450.70	8.72	-47.13
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012516735	0	57	0.0	-68.04	423.67	8.90	-59.14
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012516735	1	57	0.0	-60.54	418.70	9.19	-51.35
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012516736	0	60	0.0	-84.61	434.91	10.48	-74.13
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012516736	1	60	0.0	-78.23	431.88	9.76	-68.47
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012516737	0	56	0.0	-53.31	411.33	8.77	-44.54
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012516737	1	56	0.0	-52.95	410.17	8.63	-44.32
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012516738	0	57	0.0	-82.71	423.23	9.01	-73.70
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012516738	1	57	0.0	-71.85	418.83	9.50	-62.35
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012516739	0	57	0.0	-68.16	427.88	8.59	-59.57
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012516739	1	57	0.0	-59.26	423.39	8.49	-50.77
C=CCC(NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516740	0	57	0.0	-55.16	438.22	8.05	-47.11
C=CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516740	1	57	0.0	-69.04	435.35	7.98	-61.06
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012516741	0	60	0.0	-85.95	435.79	9.83	-76.12
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012516741	1	60	0.0	-73.43	437.34	10.17	-63.26
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012516742	0	57	0.0	-56.92	431.62	8.06	-48.86
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012516742	1	57	0.0	-54.54	425.79	8.17	-46.37
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012516743	0	56	0.0	-49.48	411.30	8.34	-41.14
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012516743	1	56	0.0	-62.23	411.06	8.74	-53.49
CCCCC(NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516744	0	62	0.0	-76.39	462.72	9.53	-66.86
CCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516744	1	62	0.0	-54.95	464.28	9.25	-45.70
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012516745	0	60	0.0	-87.93	439.54	10.52	-77.41
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012516745	1	60	0.0	-75.14	437.21	10.07	-65.07
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(COC)C(=O)[O-])CC1	REAL300012516746	0	57	0.0	-55.57	436.93	5.82	-49.75
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(COC)C(=O)[O-])CC1	REAL300012516746	1	57	0.0	-68.19	434.12	6.01	-62.18
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012516747	0	60	0.0	-65.30	433.58	9.63	-55.67
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012516747	1	60	0.0	-59.49	432.19	8.99	-50.50
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300012516748	0	60	0.0	-81.73	449.16	7.53	-74.20
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300012516748	1	60	0.0	-71.16	444.65	7.42	-63.74
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012516749	0	62	0.0	-62.44	455.69	10.29	-52.15
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012516749	1	62	0.0	-55.42	455.03	10.62	-44.80
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012516750	0	57	0.0	-68.83	429.28	9.80	-59.03
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012516750	1	57	0.0	-62.88	426.70	9.09	-53.79
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012516751	0	58	0.0	-74.46	432.42	6.35	-68.11
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012516751	1	58	0.0	-65.18	427.98	6.25	-58.93
C=CCCC(NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516752	0	60	0.0	-73.69	455.39	9.01	-64.68
C=CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516752	1	60	0.0	-54.74	455.60	9.03	-45.71
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012516753	0	53	0.0	-46.63	408.81	6.87	-39.76
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012516753	1	53	0.0	-51.65	404.06	6.75	-44.90
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012516754	0	56	0.0	-49.48	411.30	8.34	-41.14
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012516754	1	56	0.0	-62.23	411.06	8.74	-53.49
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(CC)(CC)C(=O)[O-])CC1	REAL300012516755	0	62	0.0	-79.96	442.50	9.08	-70.88
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CC)(CC)C(=O)[O-])CC1	REAL300012516755	1	62	0.0	-54.85	442.81	9.00	-45.85
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1	REAL300012516756	0	62	0.0	-60.23	448.07	10.66	-49.57
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1	REAL300012516756	1	62	0.0	-53.72	445.75	10.94	-42.78
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012516757	0	60	0.0	-56.19	457.19	9.06	-47.13
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012516757	1	60	0.0	-69.48	453.04	9.14	-60.34
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012516758	0	60	0.0	-76.66	451.82	7.05	-69.61
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012516758	1	60	0.0	-54.33	454.75	6.82	-47.51
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012516759	0	56	0.0	-72.86	432.68	8.15	-64.71
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012516759	1	56	0.0	-49.93	431.69	8.28	-41.65
CCCN(C(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(C)C(=O)[O-]	REAL300012516760	0	62	0.0	-65.72	453.91	10.07	-55.65
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(C)C(=O)[O-]	REAL300012516760	1	62	0.0	-58.36	452.37	10.12	-48.24
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012516761	0	56	0.0	-73.31	427.81	7.82	-65.49
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012516761	1	56	0.0	-53.28	427.66	7.90	-45.38
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012516762	0	59	0.0	-74.24	437.50	8.38	-65.86
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012516762	1	59	0.0	-64.39	432.99	8.28	-56.11
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012516763	0	56	0.0	-68.00	411.99	8.24	-59.76
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012516763	1	56	0.0	-62.17	410.91	8.76	-53.41
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012516764	0	58	0.0	-87.62	427.43	9.62	-78.00
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012516764	1	58	0.0	-74.13	424.12	9.88	-64.25
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012516765	0	62	0.0	-77.85	452.09	8.66	-69.19
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012516765	1	62	0.0	-68.81	451.62	8.77	-60.04
C=C(C)CC(NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516766	0	60	0.0	-56.55	458.15	8.91	-47.64
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516766	1	60	0.0	-74.62	457.30	7.95	-66.67
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012516767	0	57	0.0	-80.98	425.19	9.33	-71.65
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012516767	1	57	0.0	-70.91	425.62	9.56	-61.35
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2CN2CC[NH+](CC)CC2)C1	REAL300012516768	0	58	0.0	-84.67	438.30	9.53	-75.14
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CCN(CC)CC2)C1	REAL300012516768	1	58	0.0	-73.93	432.36	9.44	-64.49
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012516769	0	62	0.0	-79.11	458.30	9.01	-70.10
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012516769	1	62	0.0	-74.33	461.23	8.14	-66.19
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012516770	0	60	0.0	-56.19	457.19	9.06	-47.13
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012516770	1	60	0.0	-69.48	453.04	9.14	-60.34
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012516771	0	57	0.0	-55.06	448.90	7.95	-47.11
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012516771	1	57	0.0	-63.07	442.41	8.05	-55.02
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@@H](COC)C(=O)[O-])CC1	REAL300012516772	0	57	0.0	-76.69	438.70	6.08	-70.61
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@@H](COC)C(=O)[O-])CC1	REAL300012516772	1	57	0.0	-68.00	434.16	6.02	-61.98
CC[C@H](NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516773	0	56	0.0	-78.19	422.18	7.43	-70.76
CC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516773	1	56	0.0	-68.20	419.96	7.53	-60.67
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012516774	0	57	0.0	-68.04	423.67	8.90	-59.14
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012516774	1	57	0.0	-60.54	418.70	9.19	-51.35
CCCC(NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516775	0	59	0.0	-75.73	442.61	8.47	-67.26
CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516775	1	59	0.0	-55.09	442.79	8.47	-46.62
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300012516776	0	59	0.0	-56.29	442.35	8.14	-48.15
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300012516776	1	59	0.0	-55.07	438.31	8.28	-46.79
CCN(C(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(C)(C)C(=O)[O-]	REAL300012516777	0	62	0.0	-85.15	446.81	10.09	-75.06
CCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(C)(C)C(=O)[O-]	REAL300012516777	1	62	0.0	-71.35	445.57	10.52	-60.83
CCCN(C(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(C)C(=O)[O-]	REAL300012516778	0	62	0.0	-65.72	453.91	10.07	-55.65
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(C)C(=O)[O-]	REAL300012516778	1	62	0.0	-58.36	452.37	10.12	-48.24
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012516779	0	59	0.0	-83.29	427.08	9.25	-74.04
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012516779	1	59	0.0	-70.10	425.63	9.67	-60.43
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012516780	0	57	0.0	-82.71	423.23	9.01	-73.70
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012516780	1	57	0.0	-71.85	418.83	9.50	-62.35
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012516781	0	58	0.0	-67.31	433.74	5.55	-61.76
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012516781	1	58	0.0	-61.95	430.28	5.79	-56.16
CCC[C@@H](NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516782	0	59	0.0	-55.73	446.47	8.37	-47.36
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516782	1	59	0.0	-54.94	442.84	8.47	-46.47
C=CCCC(NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516783	0	60	0.0	-73.69	455.39	9.01	-64.68
C=CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516783	1	60	0.0	-54.74	455.60	9.03	-45.71
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012516784	0	60	0.0	-67.18	439.84	9.76	-57.42
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012516784	1	60	0.0	-61.72	436.30	10.07	-51.65
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300012516785	0	59	0.0	-79.30	434.94	8.14	-71.16
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300012516785	1	59	0.0	-65.89	433.40	8.08	-57.81
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012516786	0	56	0.0	-68.00	411.99	8.24	-59.76
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012516786	1	56	0.0	-62.17	410.91	8.76	-53.41
CCC[C@H](NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516787	0	59	0.0	-76.05	445.54	8.15	-67.90
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516787	1	59	0.0	-69.00	442.50	8.31	-60.69
CCN(C(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(C)C(=O)[O-]	REAL300012516788	0	59	0.0	-70.07	426.98	9.20	-60.87
CCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(C)C(=O)[O-]	REAL300012516788	1	59	0.0	-52.64	428.45	9.48	-43.16
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300012516789	0	59	0.0	-72.99	432.02	9.04	-63.95
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300012516789	1	59	0.0	-63.85	431.54	9.21	-54.64
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516790	0	62	0.0	-77.60	458.09	8.80	-68.80
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516790	1	62	0.0	-66.56	451.86	8.71	-57.85
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1	REAL300012516791	0	59	0.0	-70.28	431.82	9.03	-61.25
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1	REAL300012516791	1	59	0.0	-64.71	430.82	9.75	-54.96
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012516792	0	60	0.0	-76.66	451.82	7.05	-69.61
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012516792	1	60	0.0	-54.33	454.75	6.82	-47.51
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012516793	0	60	0.0	-56.89	446.75	8.87	-48.02
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012516793	1	60	0.0	-54.83	442.43	9.04	-45.79
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012516794	0	58	0.0	-72.55	432.34	5.70	-66.85
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012516794	1	58	0.0	-65.14	429.27	5.96	-59.18
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012516795	0	60	0.0	-56.09	450.13	8.62	-47.47
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012516795	1	60	0.0	-54.10	440.99	8.65	-45.45
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012516796	0	60	0.0	-56.09	450.13	8.62	-47.47
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012516796	1	60	0.0	-54.10	440.99	8.65	-45.45
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012516797	0	60	0.0	-69.42	438.60	9.28	-60.14
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012516797	1	60	0.0	-60.69	435.47	9.77	-50.92
C=CCC(NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516798	0	57	0.0	-55.16	438.22	8.05	-47.11
C=CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516798	1	57	0.0	-69.04	435.35	7.98	-61.06
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012516799	0	55	0.0	-62.36	418.84	5.57	-56.79
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012516799	1	55	0.0	-54.42	414.27	5.53	-48.89
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012516800	0	62	0.0	-62.84	446.50	8.84	-54.00
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012516800	1	62	0.0	-54.43	441.35	8.73	-45.70
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012516801	0	58	0.0	-83.25	431.19	10.47	-72.78
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012516801	1	58	0.0	-78.80	427.29	9.83	-68.97
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1	REAL300012516802	0	62	0.0	-72.10	443.98	10.09	-62.01
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1	REAL300012516802	1	62	0.0	-52.42	444.78	10.47	-41.95
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012516803	0	57	0.0	-80.98	425.19	9.33	-71.65
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012516803	1	57	0.0	-70.91	425.62	9.56	-61.35
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012516804	0	59	0.0	-64.06	437.66	9.74	-54.32
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012516804	1	59	0.0	-53.30	434.75	10.38	-42.92
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300012516805	0	60	0.0	-76.77	452.66	6.93	-69.84
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300012516805	1	60	0.0	-67.47	450.15	6.86	-60.61
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012516806	0	60	0.0	-73.01	449.87	9.59	-63.42
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012516806	1	60	0.0	-62.88	445.33	9.52	-53.36
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1	REAL300012516807	0	62	0.0	-49.62	453.25	10.19	-39.43
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1	REAL300012516807	1	62	0.0	-65.54	452.26	10.52	-55.02
CCOCC(NC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012516808	0	60	0.0	-55.99	458.54	6.88	-49.11
CCOCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012516808	1	60	0.0	-68.59	455.98	6.98	-61.61
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012516809	0	57	0.0	-76.67	441.92	8.20	-68.47
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012516809	1	57	0.0	-55.47	441.93	8.26	-47.21
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012516810	0	56	0.0	-53.31	411.33	8.77	-44.54
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012516810	1	56	0.0	-52.95	410.17	8.63	-44.32
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516920	0	63	0.0	-79.97	477.09	11.14	-68.83
C=CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516921	0	61	0.0	-79.83	462.92	10.65	-69.18
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516922	0	60	0.0	-66.64	457.83	12.39	-54.25
CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516923	0	60	0.0	-79.20	453.52	10.43	-68.77
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)C1	REAL300012516924	0	61	0.0	-91.81	448.50	13.00	-78.81
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=C2)C1	REAL300012516925	0	58	0.0	-86.58	430.44	11.74	-74.84
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)C1	REAL300012516926	0	61	0.0	-85.17	452.83	10.89	-74.28
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NCC(=O)[O-])C=C2)C1	REAL300012516927	0	51	0.0	-67.71	395.78	7.96	-59.75
CCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516928	0	57	0.0	-79.59	438.41	9.81	-69.78
CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516929	0	60	0.0	-79.20	453.52	10.43	-68.77
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2)C1	REAL300012516930	0	54	0.0	-78.85	414.52	10.65	-68.20
CC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516931	0	54	0.0	-68.34	416.41	8.82	-59.52
CCC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516932	0	63	0.0	-80.87	473.39	11.03	-69.84
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2)C1	REAL300012516933	0	54	0.0	-78.85	414.52	10.65	-68.20
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)C1	REAL300012516934	0	61	0.0	-91.81	448.50	13.00	-78.81
CCCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516935	0	63	0.0	-81.10	464.04	10.95	-70.15
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516936	0	60	0.0	-67.32	446.46	11.91	-55.41
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)C1	REAL300012516937	0	58	0.0	-63.96	439.88	12.18	-51.78
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516938	0	58	0.0	-66.42	449.15	12.20	-54.22
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516939	0	63	0.0	-66.62	472.49	12.91	-53.71
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C2)C1	REAL300012516940	0	57	0.0	-66.51	429.15	9.19	-57.32
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)C1	REAL300012516941	0	61	0.0	-82.58	452.05	10.93	-71.65
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516942	0	60	0.0	-67.32	446.46	11.91	-55.41
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516943	0	60	0.0	-66.64	457.83	12.39	-54.25
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516944	0	57	0.0	-79.13	436.33	11.64	-67.49
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516945	0	63	0.0	-80.74	469.65	10.78	-69.96
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)C1	REAL300012516946	0	61	0.0	-85.17	452.83	10.89	-74.28
CCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516947	0	60	0.0	-80.67	442.54	10.19	-70.48
C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516948	0	54	0.0	-68.51	416.57	8.80	-59.71
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516949	0	57	0.0	-79.13	436.33	11.64	-67.49
C[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516950	0	54	0.0	-68.50	416.58	8.80	-59.70
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=C2)C1	REAL300012516951	0	55	0.0	-86.43	422.74	10.01	-76.42
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=C2)C1	REAL300012516952	0	59	0.0	-87.24	432.95	10.33	-76.91
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)C1	REAL300012516953	0	58	0.0	-80.03	441.44	10.37	-69.66
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516954	0	61	0.0	-67.15	467.71	10.82	-56.33
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)C1	REAL300012516955	0	58	0.0	-86.82	430.92	11.37	-75.45
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)C1	REAL300012516956	0	61	0.0	-90.76	448.01	12.74	-78.02
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516957	0	57	0.0	-74.68	428.36	10.83	-63.85
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)C1	REAL300012516958	0	58	0.0	-87.79	437.17	11.73	-76.06
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=C2)C1	REAL300012516959	0	58	0.0	-85.56	439.53	10.53	-75.03
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516960	0	58	0.0	-79.26	451.68	10.27	-68.99
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=C2)C1	REAL300012516961	0	61	0.0	-86.79	454.24	12.29	-74.50
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)C1	REAL300012516962	0	58	0.0	-80.03	441.44	10.37	-69.66
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516963	0	57	0.0	-74.62	428.36	10.83	-63.79
CCCCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516964	0	63	0.0	-79.18	481.16	11.43	-67.75
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)C1	REAL300012516965	0	61	0.0	-86.90	453.93	12.22	-74.68
COCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516966	0	58	0.0	-81.06	450.12	8.10	-72.96
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C1CC1	REAL300012516967	0	61	0.0	-67.04	454.77	12.23	-54.81
COCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516968	0	61	0.0	-84.81	460.79	9.48	-75.33
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516969	0	63	0.0	-66.62	472.49	12.91	-53.71
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)C1	REAL300012516970	0	58	0.0	-63.96	439.88	12.18	-51.78
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=C2)C1	REAL300012516971	0	59	0.0	-80.09	443.93	8.33	-71.76
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516972	0	61	0.0	-79.30	472.71	11.14	-68.16
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C2)C1	REAL300012516973	0	54	0.0	-66.66	420.19	8.81	-57.85
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516974	0	57	0.0	-74.62	428.36	10.83	-63.79
CCC(CC)(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516975	0	63	0.0	-82.02	458.93	11.08	-70.94
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516976	0	63	0.0	-65.01	469.65	13.08	-51.93
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)C1	REAL300012516977	0	61	0.0	-79.74	470.53	11.24	-68.50
COCCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516978	0	61	0.0	-79.37	472.08	8.88	-70.49
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C2)C1	REAL300012516979	0	57	0.0	-78.03	450.51	10.17	-67.86
CCCN(C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300012516980	0	63	0.0	-64.26	468.43	13.32	-50.94
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C2)C1	REAL300012516981	0	57	0.0	-77.33	444.75	10.02	-67.31
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C2)C1	REAL300012516982	0	60	0.0	-77.33	449.13	10.33	-67.00
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012516983	0	57	0.0	-74.23	429.41	10.89	-63.34
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)C1	REAL300012516984	0	59	0.0	-92.47	444.47	12.36	-80.11
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)C1	REAL300012516985	0	63	0.0	-81.03	469.19	10.93	-70.10
C=C(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516986	0	61	0.0	-79.69	468.92	11.36	-68.33
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2)C1	REAL300012516987	0	62	0.0	-95.19	459.75	13.14	-82.05
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)C1	REAL300012516988	0	58	0.0	-83.60	443.63	11.83	-71.77
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CC(C)CC(C)C3)C=C2)C1	REAL300012516989	0	59	0.0	-86.98	451.39	11.78	-75.20
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516990	0	63	0.0	-79.97	477.09	11.14	-68.83
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)C1	REAL300012516991	0	61	0.0	-79.74	470.53	11.24	-68.50
CSCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516992	0	58	0.0	-77.66	462.11	10.16	-67.50
COC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516993	0	58	0.0	-80.97	450.13	8.10	-72.87
CC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516994	0	57	0.0	-78.81	430.86	9.83	-68.98
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)C1	REAL300012516995	0	58	0.0	-86.82	430.92	11.37	-75.45
CCCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516996	0	60	0.0	-79.58	459.90	10.58	-69.00
CC(C)[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012516997	0	60	0.0	-79.52	449.85	10.22	-69.30
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C=C2)C1	REAL300012516998	0	62	0.0	-93.44	458.47	13.30	-80.14
CCN(C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(C)(C)C(=O)[O-]	REAL300012516999	0	63	0.0	-84.38	463.13	12.59	-71.79
CCCN(C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300012517000	0	63	0.0	-64.26	468.43	13.32	-50.94
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=C2)C1	REAL300012517001	0	60	0.0	-84.22	443.54	11.73	-72.49
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)C1	REAL300012517002	0	58	0.0	-87.79	437.17	11.73	-76.06
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=C2)C1	REAL300012517003	0	59	0.0	-88.54	449.18	8.04	-80.50
CCC[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012517004	0	60	0.0	-79.64	459.90	10.59	-69.05
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012517005	0	61	0.0	-79.30	472.71	11.14	-68.16
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)C1	REAL300012517006	0	61	0.0	-86.85	454.26	12.28	-74.57
CC(C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012517007	0	60	0.0	-80.18	455.45	10.40	-69.78
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012517008	0	57	0.0	-74.23	429.41	10.89	-63.34
CCC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012517009	0	60	0.0	-79.01	459.07	10.59	-68.42
CCN(C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300012517010	0	60	0.0	-74.83	446.11	11.67	-63.16
CC(CN(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012517011	0	60	0.0	-77.46	448.76	11.29	-66.17
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012517012	0	63	0.0	-80.74	469.65	10.78	-69.96
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012517013	0	60	0.0	-74.79	450.01	12.02	-62.77
COCCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012517014	0	61	0.0	-79.37	472.08	8.88	-70.49
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)C1	REAL300012517015	0	61	0.0	-81.17	467.21	10.89	-70.28
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=C2)C1	REAL300012517016	0	59	0.0	-93.74	449.15	8.19	-85.55
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=C2)C1	REAL300012517017	0	62	0.0	-91.31	459.31	12.86	-78.45
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)C1	REAL300012517018	0	61	0.0	-80.38	458.07	10.78	-69.60
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)C1	REAL300012517019	0	61	0.0	-80.38	458.07	10.78	-69.60
CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CC(C)CC(C)C3)C=C2)C1C(=O)[O-]	REAL300012517020	0	61	0.0	-88.28	458.52	12.04	-76.24
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012517021	0	58	0.0	-79.26	451.68	10.27	-68.99
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=C2)C1	REAL300012517022	0	62	0.0	-65.79	453.24	12.75	-53.04
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=C2)C1	REAL300012517023	0	56	0.0	-78.97	430.51	7.56	-71.41
CC(C)C(C)(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012517024	0	63	0.0	-81.38	457.46	10.82	-70.56
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)C1	REAL300012517025	0	59	0.0	-91.64	444.84	12.89	-78.75
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=C2)C1	REAL300012517026	0	62	0.0	-89.16	460.36	12.32	-76.84
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012517027	0	63	0.0	-75.31	462.61	12.53	-62.78
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)C1	REAL300012517028	0	58	0.0	-83.60	443.63	11.83	-71.77
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)C1	REAL300012517029	0	60	0.0	-65.19	453.26	12.54	-52.65
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC4CC43)C=C2)C1	REAL300012517030	0	62	0.0	-86.23	460.90	11.76	-74.47
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012517031	0	61	0.0	-81.00	468.41	9.06	-71.94
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012517032	0	61	0.0	-87.35	454.36	11.51	-75.84
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012517033	0	63	0.0	-74.85	470.87	12.63	-62.22
CCOCC(NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300012517034	0	61	0.0	-81.57	472.12	9.04	-72.53
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C2)C1	REAL300012517035	0	58	0.0	-79.23	459.02	10.38	-68.85
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300012517036	0	57	0.0	-74.68	428.36	10.83	-63.85
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517037	0	63	0.0	-73.45	467.50	11.29	-62.16
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517038	0	61	0.0	-55.76	459.32	11.79	-43.97
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517039	0	60	0.0	-56.22	447.09	13.24	-42.98
CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517040	0	60	0.0	-68.18	439.15	10.99	-57.19
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012517041	0	61	0.0	-73.22	439.37	13.90	-59.32
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCCC2C(=O)[O-])C1	REAL300012517042	0	58	0.0	-74.10	425.26	12.69	-61.41
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012517043	0	61	0.0	-59.36	444.29	11.86	-47.50
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NCC(=O)[O-])C1	REAL300012517044	0	51	0.0	-53.64	386.71	8.88	-44.76
CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517045	0	57	0.0	-56.65	427.79	10.64	-46.01
CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517046	0	60	0.0	-68.18	439.15	10.99	-57.19
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N(C)CC(=O)[O-])C1	REAL300012517047	0	54	0.0	-55.86	402.55	11.42	-44.44
CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517048	0	54	0.0	-55.86	407.50	9.71	-46.15
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517049	0	63	0.0	-55.77	457.86	11.66	-44.11
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N(C)CC(=O)[O-])C1	REAL300012517050	0	54	0.0	-55.86	402.55	11.42	-44.44
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012517051	0	61	0.0	-73.22	439.37	13.90	-59.32
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517052	0	63	0.0	-67.46	454.97	11.86	-55.60
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517053	0	60	0.0	-57.85	440.12	12.16	-45.69
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012517054	0	58	0.0	-57.60	434.97	12.25	-45.35
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517055	0	58	0.0	-55.91	438.43	13.05	-42.86
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517056	0	63	0.0	-56.23	461.52	13.54	-42.69
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC(C)(C)C(=O)[O-])C1	REAL300012517057	0	57	0.0	-53.19	420.07	10.12	-43.07
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012517058	0	61	0.0	-56.72	442.96	11.85	-44.87
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517059	0	60	0.0	-57.85	440.12	12.16	-45.69
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517060	0	60	0.0	-56.22	447.09	13.24	-42.98
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517061	0	57	0.0	-55.92	424.37	12.40	-43.52
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517062	0	63	0.0	-67.08	458.91	11.67	-55.41
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012517063	0	61	0.0	-59.36	444.29	11.86	-47.50
CCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517064	0	60	0.0	-67.21	433.47	11.10	-56.11
C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517065	0	54	0.0	-55.97	407.44	9.73	-46.24
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517066	0	57	0.0	-55.92	424.37	12.40	-43.52
C[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517067	0	54	0.0	-52.71	407.50	9.72	-42.99
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC2)C1	REAL300012517068	0	55	0.0	-63.68	413.64	10.94	-52.74
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012517069	0	59	0.0	-70.32	430.06	11.30	-59.02
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012517070	0	58	0.0	-58.66	435.44	11.14	-47.52
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517071	0	61	0.0	-57.25	455.78	11.55	-45.70
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012517072	0	58	0.0	-62.28	427.95	12.24	-50.04
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012517073	0	61	0.0	-77.36	440.69	12.74	-64.62
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517074	0	57	0.0	-53.85	417.21	11.67	-42.18
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012517075	0	58	0.0	-71.69	426.26	12.43	-59.26
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012517076	0	58	0.0	-61.44	430.42	11.45	-49.99
C=CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517077	0	58	0.0	-67.72	439.00	10.92	-56.80
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012517078	0	61	0.0	-75.97	444.30	13.19	-62.78
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012517079	0	58	0.0	-58.66	435.44	11.14	-47.52
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517080	0	57	0.0	-62.62	417.62	11.68	-50.94
CCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517081	0	63	0.0	-56.54	470.79	12.18	-44.36
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012517082	0	61	0.0	-72.56	443.32	12.98	-59.58
COCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517083	0	58	0.0	-68.45	441.19	8.98	-59.47
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C1CC1	REAL300012517084	0	61	0.0	-53.23	432.65	12.60	-40.63
COCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517085	0	61	0.0	-71.41	451.72	10.39	-61.02
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517086	0	63	0.0	-56.23	461.52	13.54	-42.69
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012517087	0	58	0.0	-57.60	434.97	12.25	-45.35
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012517088	0	59	0.0	-65.84	434.98	9.22	-56.62
C=CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517089	0	61	0.0	-56.27	462.10	11.96	-44.31
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC(CF)C(=O)[O-])C1	REAL300012517090	0	54	0.0	-52.19	410.95	9.74	-42.45
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517091	0	57	0.0	-62.62	417.62	11.68	-50.94
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517092	0	63	0.0	-56.18	449.85	11.99	-44.19
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517093	0	63	0.0	-57.58	453.26	13.85	-43.73
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012517094	0	61	0.0	-56.73	460.68	12.16	-44.57
COCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517095	0	61	0.0	-55.89	461.35	9.76	-46.13
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012517096	0	57	0.0	-52.13	438.41	11.16	-40.97
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(C)C(=O)[O-]	REAL300012517097	0	63	0.0	-60.67	461.48	12.52	-48.15
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012517098	0	57	0.0	-55.52	434.38	10.78	-44.74
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012517099	0	60	0.0	-64.53	440.06	11.25	-53.28
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517100	0	57	0.0	-63.46	418.04	11.72	-51.74
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012517101	0	59	0.0	-72.02	437.02	13.14	-58.88
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012517102	0	63	0.0	-70.26	455.96	11.68	-58.58
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517103	0	61	0.0	-73.69	464.18	10.98	-62.71
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012517104	0	62	0.0	-82.49	450.55	13.25	-69.24
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012517105	0	58	0.0	-72.57	437.37	12.05	-60.52
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CC(C)CC(C)C2)C1	REAL300012517106	0	59	0.0	-73.95	444.58	11.98	-61.97
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517107	0	63	0.0	-73.45	467.50	11.29	-62.16
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012517108	0	61	0.0	-56.73	460.68	12.16	-44.57
CSCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517109	0	58	0.0	-63.69	449.33	10.98	-52.71
COC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517110	0	58	0.0	-68.49	441.11	8.99	-59.50
CC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517111	0	57	0.0	-68.60	424.58	10.41	-58.19
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012517112	0	58	0.0	-62.28	427.95	12.24	-50.04
CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517113	0	60	0.0	-56.59	449.29	11.40	-45.19
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517114	0	60	0.0	-56.67	444.82	11.21	-45.46
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012517115	0	62	0.0	-76.56	451.94	13.46	-63.10
CCN(C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(C)(C)C(=O)[O-]	REAL300012517116	0	63	0.0	-72.10	453.01	13.43	-58.67
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(C)C(=O)[O-]	REAL300012517117	0	63	0.0	-60.67	461.48	12.52	-48.15
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012517118	0	60	0.0	-71.10	433.20	12.58	-58.52
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012517119	0	58	0.0	-71.69	426.26	12.43	-59.26
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012517120	0	59	0.0	-64.89	442.88	8.26	-56.63
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517121	0	60	0.0	-57.36	450.13	11.43	-45.93
C=CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517122	0	61	0.0	-56.27	462.10	11.96	-44.31
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012517123	0	61	0.0	-66.36	438.96	12.13	-54.23
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517124	0	60	0.0	-67.51	442.25	11.02	-56.49
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517125	0	57	0.0	-63.46	418.04	11.72	-51.74
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517126	0	60	0.0	-68.74	446.04	11.18	-57.56
CCN(C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(C)C(=O)[O-]	REAL300012517127	0	60	0.0	-64.07	429.48	12.43	-51.64
CC(CN(C)C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517128	0	60	0.0	-64.82	438.02	12.13	-52.69
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517129	0	63	0.0	-67.08	458.91	11.67	-55.41
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517130	0	60	0.0	-65.33	435.78	12.69	-52.64
COCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517131	0	61	0.0	-55.89	461.35	9.76	-46.13
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012517132	0	61	0.0	-58.43	450.65	11.97	-46.46
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012517133	0	59	0.0	-68.80	434.88	8.46	-60.34
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012517134	0	62	0.0	-79.51	447.83	13.63	-65.88
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012517135	0	61	0.0	-57.67	451.77	11.00	-46.67
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012517136	0	61	0.0	-57.67	451.77	11.00	-46.67
CC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CC(C)CC(C)C2)C1C(=O)[O-]	REAL300012517137	0	61	0.0	-63.96	447.03	12.11	-51.85
C=CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517138	0	58	0.0	-67.72	439.00	10.92	-56.80
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012517139	0	62	0.0	-38.01	440.27	12.50	-25.51
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012517140	0	56	0.0	-57.59	424.05	7.79	-49.80
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517141	0	63	0.0	-55.78	448.39	11.72	-44.06
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012517142	0	59	0.0	-71.45	431.46	13.17	-58.28
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012517143	0	62	0.0	-63.47	449.45	13.33	-50.14
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517144	0	63	0.0	-54.89	451.98	13.38	-41.51
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012517145	0	58	0.0	-72.57	437.37	12.05	-60.52
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012517146	0	60	0.0	-54.35	441.30	13.31	-41.04
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012517147	0	62	0.0	-75.53	449.88	12.56	-62.97
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517148	0	61	0.0	-69.85	455.69	9.64	-60.21
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517149	0	61	0.0	-71.99	443.23	11.82	-60.17
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517150	0	63	0.0	-65.93	456.18	13.26	-52.67
CCOCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012517151	0	61	0.0	-68.58	462.55	9.94	-58.64
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012517152	0	58	0.0	-56.84	448.53	11.20	-45.64
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300012517153	0	57	0.0	-53.85	417.21	11.67	-42.18
COC1=CC=CC=C1C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517470	0	61	0.0	-61.58	450.37	9.64	-51.94
C=CC(C)C(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517471	0	59	0.0	-61.39	443.60	10.02	-51.37
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1	REAL300012517472	0	58	0.0	-42.80	431.53	11.43	-31.37
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]1CCCCC1	REAL300012517473	0	58	0.0	-62.43	424.75	9.19	-53.24
COC1=CC=CC=C1C(CNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCCCC1	REAL300012517474	0	59	0.0	-75.22	421.83	11.54	-63.68
COC1=CC=CC=C1C(CNC(=O)N1CCCC1C(=O)[O-])[NH+]1CCCCC1	REAL300012517475	0	56	0.0	-69.29	410.55	10.24	-59.05
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCCCC1	REAL300012517476	0	59	0.0	-72.70	426.28	9.36	-63.34
COC1=CC=CC=C1C(CNC(=O)NCC(=O)[O-])[NH+]1CCCCC1	REAL300012517477	0	49	0.0	-54.88	369.44	7.02	-47.86
CCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517478	0	55	0.0	-67.39	412.06	8.87	-58.52
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]1CCCCC1	REAL300012517479	0	58	0.0	-62.43	424.75	9.19	-53.24
COC1=CC=CC=C1C(CNC(=O)N(C)CC(=O)[O-])[NH+]1CCCCC1	REAL300012517480	0	52	0.0	-66.59	388.18	9.70	-56.89
COC1=CC=CC=C1C(CNC(=O)NC(C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517481	0	52	0.0	-56.96	390.55	7.81	-49.15
CCC(C)C(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517482	0	61	0.0	-67.12	445.18	10.09	-57.03
COC1=CC=CC=C1C(CNC(=O)N(C)CC(=O)[O-])[NH+]1CCCCC1	REAL300012517483	0	52	0.0	-66.59	388.18	9.70	-56.89
COC1=CC=CC=C1C(CNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCCCC1	REAL300012517484	0	59	0.0	-75.22	421.83	11.54	-63.68
CCCC(C)(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517485	0	61	0.0	-61.63	437.70	10.00	-51.63
COC1=CC=CC=C1C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]1CCCCC1	REAL300012517486	0	58	0.0	-44.31	420.14	10.95	-33.36
COC1=CC=CC=C1C(CNC(=O)N(CC(=O)[O-])C1CC1)[NH+]1CCCCC1	REAL300012517487	0	56	0.0	-45.56	412.93	10.65	-34.91
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1	REAL300012517488	0	56	0.0	-42.67	422.84	11.24	-31.43
COC1=CC=CC=C1C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]1CCCCC1	REAL300012517489	0	61	0.0	-42.12	445.94	11.73	-30.39
COC1=CC=CC=C1C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517490	0	55	0.0	-54.05	402.81	8.24	-45.81
COC1=CC=CC=C1C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[NH+]1CCCCC1	REAL300012517491	0	59	0.0	-68.91	425.70	10.00	-58.91
COC1=CC=CC=C1C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]1CCCCC1	REAL300012517492	0	58	0.0	-44.31	420.14	10.95	-33.36
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1	REAL300012517493	0	58	0.0	-42.80	431.53	11.43	-31.37
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1	REAL300012517494	0	55	0.0	-67.13	406.99	10.53	-56.60
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517495	0	61	0.0	-67.86	441.46	9.22	-58.64
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCCCC1	REAL300012517496	0	59	0.0	-72.70	426.28	9.36	-63.34
CCC(C)(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517497	0	58	0.0	-61.43	416.20	9.24	-52.19
COC1=CC=CC=C1C(CNC(=O)N[C@@H](C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517498	0	52	0.0	-54.67	389.79	7.32	-47.35
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1	REAL300012517499	0	55	0.0	-67.13	406.99	10.53	-56.60
COC1=CC=CC=C1C(CNC(=O)N[C@H](C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517500	0	52	0.0	-56.81	390.32	7.83	-48.98
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300012517501	0	53	0.0	-67.83	395.99	8.53	-59.30
COC1=CC=CC=C1C(CNC(=O)N1CCOCC1C(=O)[O-])[NH+]1CCCCC1	REAL300012517502	0	57	0.0	-72.85	413.07	8.84	-64.01
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C1CC1)[NH+]1CCCCC1	REAL300012517503	0	56	0.0	-60.95	418.74	9.38	-51.57
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1	REAL300012517504	0	59	0.0	-43.60	441.41	9.86	-33.74
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012517505	0	56	0.0	-68.10	411.26	9.89	-58.21
COC1=CC=CC=C1C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012517506	0	59	0.0	-69.52	424.75	10.89	-58.63
COC1=CC=CC=C1C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517507	0	55	0.0	-59.46	401.84	9.29	-50.17
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012517508	0	56	0.0	-73.38	411.16	10.83	-62.55
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CCC1)[NH+]1CCCCC1	REAL300012517509	0	56	0.0	-72.53	412.91	9.03	-63.50
C=CCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517510	0	56	0.0	-66.84	425.10	9.38	-57.46
COC1=CC=CC=C1C(CNC(=O)N1CCCC1(C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517511	0	59	0.0	-68.86	427.63	10.79	-58.07
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C1CC1)[NH+]1CCCCC1	REAL300012517512	0	56	0.0	-60.95	418.74	9.38	-51.57
COC1=CC=CC=C1C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517513	0	55	0.0	-62.73	402.58	9.82	-52.91
CCCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517514	0	61	0.0	-67.40	455.06	10.42	-56.98
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517515	0	59	0.0	-74.20	427.52	10.74	-63.46
COCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517516	0	56	0.0	-68.49	423.92	7.10	-61.39
COC1=CC=CC=C1C(CNC(=O)N(C(C)C(=O)[O-])C1CC1)[NH+]1CCCCC1	REAL300012517517	0	59	0.0	-48.42	427.54	10.64	-37.78
COCC(C)(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517518	0	59	0.0	-66.04	434.45	8.53	-57.51
COC1=CC=CC=C1C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]1CCCCC1	REAL300012517519	0	61	0.0	-42.12	445.94	11.73	-30.39
COC1=CC=CC=C1C(CNC(=O)N(CC(=O)[O-])C1CC1)[NH+]1CCCCC1	REAL300012517520	0	56	0.0	-45.56	412.93	10.65	-34.91
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CCOC1)[NH+]1CCCCC1	REAL300012517521	0	57	0.0	-63.28	417.40	6.80	-56.48
C=CCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517522	0	59	0.0	-67.03	446.13	10.26	-56.77
COC1=CC=CC=C1C(CNC(=O)NC(CF)C(=O)[O-])[NH+]1CCCCC1	REAL300012517523	0	52	0.0	-54.03	394.16	7.84	-46.19
COC1=CC=CC=C1C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517524	0	55	0.0	-62.73	402.58	9.82	-52.91
CCC(CC)(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517525	0	61	0.0	-62.53	432.87	10.13	-52.40
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1	REAL300012517526	0	61	0.0	-41.39	442.46	12.28	-29.11
COC1=CC=CC=C1C(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCCCC1	REAL300012517527	0	59	0.0	-67.00	443.78	9.75	-57.25
COCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517528	0	59	0.0	-67.91	445.74	7.94	-59.97
COC1=CC=CC=C1C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+]1CCCCC1	REAL300012517529	0	55	0.0	-67.53	424.41	9.16	-58.37
CCCN(C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(C)C(=O)[O-]	REAL300012517530	0	61	0.0	-31.53	433.45	11.79	-19.74
COC1=CC=CC=C1C(CNC(=O)NC(CCF)C(=O)[O-])[NH+]1CCCCC1	REAL300012517531	0	55	0.0	-66.71	418.65	9.01	-57.70
COC1=CC=CC=C1C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+]1CCCCC1	REAL300012517532	0	58	0.0	-58.76	422.79	9.38	-49.38
COC1=CC=CC=C1C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517533	0	55	0.0	-59.12	401.74	9.33	-49.79
COC1=CC=CC=C1C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[NH+]1CCCCC1	REAL300012517534	0	57	0.0	-76.95	417.31	11.19	-65.76
COC1=CC=CC=C1C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]1CCCCC1	REAL300012517535	0	61	0.0	-69.61	442.65	9.40	-60.21
C=C(C)CC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517536	0	59	0.0	-68.41	442.81	10.33	-58.08
COC1=CC=CC=C1C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012517537	0	56	0.0	-71.86	416.92	10.29	-61.57
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2OC)[NH+]2CCCCC2)C1	REAL300012517538	0	57	0.0	-67.63	424.60	10.31	-57.32
COC1=CC=CC=C1C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517539	0	61	0.0	-61.58	450.37	9.64	-51.94
COC1=CC=CC=C1C(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCCCC1	REAL300012517540	0	59	0.0	-67.00	443.78	9.75	-57.25
COC1=CC=CC=C1C(CNC(=O)NC(CSC)C(=O)[O-])[NH+]1CCCCC1	REAL300012517541	0	56	0.0	-63.43	435.52	9.28	-54.15
COC[C@H](NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517542	0	56	0.0	-62.23	423.52	6.56	-55.67
CC[C@H](NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517543	0	55	0.0	-62.28	411.83	8.88	-53.40
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012517544	0	56	0.0	-68.10	411.26	9.89	-58.21
CCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517545	0	58	0.0	-67.39	433.56	9.64	-57.75
COC1=CC=CC=C1C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+]1CCCCC1	REAL300012517546	0	58	0.0	-68.02	423.90	8.64	-59.38
CCN(C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(C)(C)C(=O)[O-]	REAL300012517547	0	61	0.0	-71.14	433.37	11.55	-59.59
CCCN(C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(C)C(=O)[O-]	REAL300012517548	0	61	0.0	-31.53	433.45	11.79	-19.74
COC1=CC=CC=C1C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517549	0	58	0.0	-70.68	417.41	10.71	-59.97
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012517550	0	56	0.0	-73.38	411.16	10.83	-62.55
COC1=CC=CC=C1C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012517551	0	57	0.0	-70.31	423.03	7.12	-63.19
CCC[C@@H](NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517552	0	58	0.0	-67.32	433.33	9.64	-57.68
C=CCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517553	0	59	0.0	-67.03	446.13	10.26	-56.77
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517554	0	59	0.0	-69.14	427.72	10.74	-58.40
COC1=CC=CC=C1C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+]1CCCCC1	REAL300012517555	0	58	0.0	-62.46	428.87	9.46	-53.00
COC1=CC=CC=C1C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517556	0	55	0.0	-59.12	401.74	9.33	-49.79
CCC[C@H](NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517557	0	58	0.0	-61.27	433.16	9.10	-52.17
CCN(C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(C)C(=O)[O-]	REAL300012517558	0	58	0.0	-63.68	416.26	10.46	-53.22
COC1=CC=CC=C1C(CNC(=O)N(C)CC(C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517559	0	58	0.0	-67.88	422.42	10.33	-57.55
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517560	0	61	0.0	-67.86	441.46	9.22	-58.64
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1	REAL300012517561	0	58	0.0	-59.39	422.24	10.88	-48.51
COCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517562	0	59	0.0	-67.91	445.74	7.94	-59.97
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[NH+]1CCCCC1	REAL300012517563	0	59	0.0	-67.96	440.40	9.40	-58.56
COC1=CC=CC=C1C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012517564	0	57	0.0	-80.30	421.23	6.70	-73.60
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH+]1CCCCC1	REAL300012517565	0	59	0.0	-62.58	432.39	9.77	-52.81
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH+]1CCCCC1	REAL300012517566	0	59	0.0	-62.58	432.39	9.77	-52.81
COC1=CC=CC=C1C(CNC(=O)N1CCC(C)C1C(=O)[O-])[NH+]1CCCCC1	REAL300012517567	0	59	0.0	-68.54	431.79	10.53	-58.01
C=CCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517568	0	56	0.0	-66.84	425.10	9.38	-57.46
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])COC1)[NH+]1CCCCC1	REAL300012517569	0	54	0.0	-64.87	403.62	6.08	-58.79
COC1=CC=CC=C1C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+]1CCCCC1	REAL300012517570	0	61	0.0	-62.60	432.93	9.93	-52.67
COC1=CC=CC=C1C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012517571	0	57	0.0	-76.85	417.26	11.29	-65.56
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1	REAL300012517572	0	61	0.0	-64.93	433.77	11.53	-53.40
COC1=CC=CC=C1C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012517573	0	56	0.0	-71.86	416.92	10.29	-61.57
COC1=CC=CC=C1C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[NH+]1CCCCC1	REAL300012517574	0	58	0.0	-38.09	426.63	11.04	-27.05
COC1=CC=CC=C1C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)[NH+]1CCCCC1	REAL300012517575	0	59	0.0	-63.61	441.79	7.56	-56.05
COC1=CC=CC=C1C(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[NH+]1CCCCC1	REAL300012517576	0	59	0.0	-74.41	434.81	10.05	-64.36
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1	REAL300012517577	0	61	0.0	-63.77	444.53	11.67	-52.10
CCOCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300012517578	0	59	0.0	-68.53	445.64	8.13	-60.40
COC1=CC=CC=C1C(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+]1CCCCC1	REAL300012517579	0	56	0.0	-69.79	432.80	9.42	-60.37
COC1=CC=CC=C1C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]1CCCCC1	REAL300012517580	0	55	0.0	-59.46	401.84	9.29	-50.17
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517687	0	54	0.0	-66.08	425.35	10.46	-55.62
C=CCOCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517688	0	53	0.0	-72.15	432.92	8.98	-63.17
C=CC(C)C(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517689	0	52	0.0	-65.17	417.97	10.30	-54.87
CC1CCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012517690	0	55	0.0	-81.66	403.51	11.39	-70.27
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517691	0	51	0.0	-51.21	399.09	10.62	-40.59
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CCC1	REAL300012517692	0	55	0.0	-48.17	415.57	12.26	-35.91
CCCN(C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(CC)C(=O)[O-]	REAL300012517693	0	57	0.0	-57.60	424.85	11.46	-46.14
CC(C)C(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517694	0	51	0.0	-69.84	401.56	9.75	-60.09
O=C([O-])C1CCCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517695	0	52	0.0	-82.57	389.81	11.18	-71.39
O=C([O-])C1CSCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517696	0	50	0.0	-80.53	389.66	11.09	-69.44
O=C([O-])C1(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCCCC1	REAL300012517697	0	55	0.0	-75.35	416.16	11.35	-64.00
O=C([O-])C1CCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517698	0	49	0.0	-72.08	385.20	11.05	-61.03
O=C([O-])C1(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCCC1	REAL300012517699	0	52	0.0	-69.48	401.07	10.23	-59.25
O=C([O-])CNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517700	0	42	0.0	-59.63	337.05	6.21	-53.42
CCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517701	0	48	0.0	-70.71	386.44	9.14	-61.57
CC(C)C(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517702	0	51	0.0	-69.84	401.56	9.75	-60.09
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517703	0	45	0.0	-69.68	355.78	8.87	-60.81
CC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517704	0	45	0.0	-60.44	364.92	8.09	-52.35
CCC(C)C(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517705	0	54	0.0	-65.14	416.02	10.08	-55.06
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517706	0	45	0.0	-69.68	355.78	8.87	-60.81
O=C([O-])C1CCCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517707	0	52	0.0	-82.57	389.81	11.18	-71.39
CCCC(C)(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517708	0	54	0.0	-65.19	412.07	10.27	-54.92
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517709	0	51	0.0	-52.35	387.80	10.14	-42.21
O=C([O-])CN(C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CC1	REAL300012517710	0	49	0.0	-45.87	385.22	11.45	-34.42
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517711	0	49	0.0	-51.03	390.41	10.42	-40.61
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517712	0	54	0.0	-50.69	413.50	10.92	-39.77
CC(C)(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517713	0	48	0.0	-57.64	377.19	8.52	-49.12
CC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)(C(=O)[O-])C1CC1	REAL300012517714	0	52	0.0	-71.84	393.30	9.18	-62.66
O=C([O-])C1(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCCCC1	REAL300012517715	0	55	0.0	-75.35	416.16	11.35	-64.00
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517716	0	51	0.0	-52.35	387.80	10.14	-42.21
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517717	0	51	0.0	-51.21	399.09	10.62	-40.59
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517718	0	48	0.0	-69.77	377.59	9.85	-59.92
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517719	0	54	0.0	-71.59	417.66	10.00	-61.59
O=C([O-])C1(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCCC1	REAL300012517720	0	52	0.0	-69.48	401.07	10.23	-59.25
CCC(C)(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517721	0	51	0.0	-65.00	390.58	9.51	-55.49
C[C@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517722	0	45	0.0	-60.16	364.59	8.02	-52.14
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517723	0	48	0.0	-69.77	377.59	9.85	-59.92
C[C@@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517724	0	45	0.0	-58.25	364.59	8.02	-50.23
O=C([O-])C1(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CC1	REAL300012517725	0	46	0.0	-77.70	364.00	8.26	-69.44
O=C([O-])C1COCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517726	0	50	0.0	-76.78	386.40	9.67	-67.11
O=C([O-])C(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CC1	REAL300012517727	0	49	0.0	-64.57	393.36	9.63	-54.94
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517728	0	52	0.0	-51.36	408.97	9.04	-42.32
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517729	0	49	0.0	-74.08	385.89	10.64	-63.44
O=C([O-])[C@H]1CCCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517730	0	52	0.0	-81.50	389.18	11.02	-70.48
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517731	0	48	0.0	-66.31	377.47	10.20	-56.11
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517732	0	49	0.0	-72.28	389.01	10.37	-61.91
O=C([O-])C1(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCC1	REAL300012517733	0	49	0.0	-75.30	387.77	9.87	-65.43
C=CCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517734	0	49	0.0	-70.57	399.72	9.60	-60.97
CC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517735	0	52	0.0	-77.38	402.26	11.50	-65.88
O=C([O-])C1CCCCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517736	0	55	0.0	-80.31	402.82	11.53	-68.78
O=C([O-])C(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CC1	REAL300012517737	0	49	0.0	-64.57	393.36	9.63	-54.94
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517738	0	48	0.0	-65.65	370.18	9.00	-56.65
CCCCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517739	0	54	0.0	-70.78	429.44	10.69	-60.09
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517740	0	52	0.0	-78.36	395.55	10.50	-67.86
O=C([O-])CN(C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CCCC1	REAL300012517741	0	55	0.0	-43.20	418.77	12.47	-30.73
COCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517742	0	49	0.0	-71.38	398.16	7.43	-63.95
CCCCCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517743	0	57	0.0	-70.79	450.94	11.47	-59.32
CN(C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1(C(=O)[O-])CCCC1	REAL300012517744	0	55	0.0	-78.68	405.42	10.87	-67.81
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CC1	REAL300012517745	0	52	0.0	-55.31	395.92	10.30	-45.01
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CC1	REAL300012517746	0	55	0.0	-54.12	417.45	11.61	-42.51
COCC(C)(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517747	0	52	0.0	-69.69	408.82	8.79	-60.90
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517748	0	55	0.0	-66.78	422.66	9.45	-57.33
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517749	0	54	0.0	-50.69	413.50	10.92	-39.77
O=C([O-])CN(C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CC1	REAL300012517750	0	49	0.0	-45.87	385.22	11.45	-34.42
O=C([O-])C1(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCOC1	REAL300012517751	0	50	0.0	-69.45	392.17	7.68	-61.77
O=C([O-])C1(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCOCC1	REAL300012517752	0	53	0.0	-74.28	400.59	7.78	-66.50
C=CCCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517753	0	52	0.0	-70.39	420.51	10.53	-59.86
O=C([O-])C(CF)NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517754	0	45	0.0	-57.51	368.54	8.12	-49.39
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517755	0	48	0.0	-65.65	370.18	9.00	-56.65
CCC(CC)(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517756	0	54	0.0	-66.16	407.25	10.40	-55.76
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517757	0	54	0.0	-49.08	410.69	11.35	-37.73
CCC(COC)(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517758	0	55	0.0	-76.21	418.49	8.63	-67.58
O=C([O-])C(CC1CC1)NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517759	0	52	0.0	-70.92	418.77	10.58	-60.34
COCCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517760	0	52	0.0	-70.93	419.87	8.27	-62.66
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517761	0	57	0.0	-66.02	428.99	11.53	-54.49
O=C([O-])C(CC(F)F)NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517762	0	48	0.0	-64.83	396.81	9.73	-55.10
CCCN(C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012517763	0	54	0.0	-56.64	408.91	10.61	-46.03
O=C([O-])C(CCF)NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517764	0	48	0.0	-69.82	392.79	9.35	-60.47
CC(CCF)(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517765	0	51	0.0	-62.42	397.17	9.65	-52.77
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517766	0	48	0.0	-62.33	376.54	10.20	-52.13
O=C([O-])C12CC(C1)CN2C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517767	0	50	0.0	-82.39	391.98	11.66	-70.73
CC(C)(C)[C@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517768	0	54	0.0	-72.25	417.21	10.16	-62.09
C=C(C)CC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517769	0	52	0.0	-71.49	417.77	10.52	-60.97
O=C([O-])C12CCC(CC1)N2C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517770	0	53	0.0	-84.75	407.19	12.50	-72.25
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517771	0	49	0.0	-69.87	391.67	11.16	-58.71
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300012517772	0	50	0.0	-75.48	403.05	10.47	-65.01
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517773	0	54	0.0	-66.08	425.35	10.46	-55.62
O=C([O-])C(CC1CC1)NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517774	0	52	0.0	-70.92	418.77	10.58	-60.34
CSCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517775	0	49	0.0	-66.62	409.90	9.56	-57.06
COC[C@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517776	0	49	0.0	-71.21	397.79	7.27	-63.94
CC[C@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517777	0	48	0.0	-70.82	386.42	9.05	-61.77
CCC(C)CC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517778	0	57	0.0	-71.27	442.71	11.17	-60.10
C=CCCCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517779	0	55	0.0	-70.55	442.01	11.32	-59.23
O=C([O-])C1CSCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517780	0	50	0.0	-80.53	389.66	11.09	-69.44
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517781	0	49	0.0	-74.08	385.89	10.64	-63.44
CCCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517782	0	51	0.0	-70.70	407.94	9.91	-60.79
CC(C)[C@@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517783	0	51	0.0	-70.96	398.55	9.47	-61.49
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517784	0	53	0.0	-80.98	410.65	11.97	-69.01
CCN(C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012517785	0	54	0.0	-73.61	403.80	10.80	-62.81
CCCN(C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012517786	0	54	0.0	-56.64	408.91	10.61	-46.03
CN(C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012517787	0	51	0.0	-74.02	384.81	9.96	-64.06
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517788	0	49	0.0	-72.28	389.01	10.37	-61.91
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517789	0	50	0.0	-79.95	401.05	6.70	-73.25
CCC[C@@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517790	0	51	0.0	-65.74	407.92	9.81	-55.93
C=CCCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517791	0	52	0.0	-70.39	420.51	10.53	-59.86
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517792	0	52	0.0	-77.48	402.50	11.61	-65.87
CC(C)[C@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517793	0	51	0.0	-66.14	403.48	9.73	-56.41
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517794	0	48	0.0	-62.33	376.54	10.20	-52.13
CCC[C@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517795	0	51	0.0	-64.88	407.10	9.92	-54.96
CCN(C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012517796	0	51	0.0	-66.00	386.86	9.78	-56.22
O=C([O-])CN(C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CCCC1	REAL300012517797	0	55	0.0	-43.20	418.77	12.47	-30.73
CC(CN(C)C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517798	0	51	0.0	-79.22	391.95	9.80	-69.42
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517799	0	54	0.0	-71.59	417.66	10.00	-61.59
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517800	0	51	0.0	-62.69	396.83	11.28	-51.41
O=C([O-])C1(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CC(CO)C1	REAL300012517801	0	53	0.0	-75.56	418.31	7.04	-68.52
CC1CCC(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012517802	0	55	0.0	-74.93	422.71	10.89	-64.04
COCCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517803	0	52	0.0	-70.93	419.87	8.27	-62.66
CC1(C)CC(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012517804	0	55	0.0	-77.72	417.00	10.47	-67.25
CC1(C(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C(=O)[O-])CC1	REAL300012517805	0	52	0.0	-71.78	408.00	9.09	-62.69
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517806	0	50	0.0	-82.41	395.74	7.54	-74.87
O=C([O-])C(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CCOC1	REAL300012517807	0	53	0.0	-68.01	416.51	8.07	-59.94
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517808	0	53	0.0	-82.00	407.29	12.08	-69.92
O=C([O-])C12COC(CN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C2	REAL300012517809	0	51	0.0	-80.71	392.76	8.68	-72.03
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300012517810	0	55	0.0	-78.84	416.02	12.89	-65.95
O=C([O-])C(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CCC1	REAL300012517811	0	52	0.0	-65.48	406.09	10.00	-55.48
O=C([O-])C(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CCC1	REAL300012517812	0	52	0.0	-65.48	406.09	10.00	-55.48
CC1CCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1C(=O)[O-]	REAL300012517813	0	52	0.0	-79.78	399.78	10.26	-69.52
C=CCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517814	0	49	0.0	-70.57	399.72	9.60	-60.97
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517815	0	53	0.0	-37.15	401.33	11.60	-25.55
COC1CC(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012517816	0	53	0.0	-78.36	421.13	8.84	-69.52
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012517817	0	53	0.0	-71.58	412.12	7.63	-63.95
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517818	0	55	0.0	-79.55	417.04	12.76	-66.79
O=C([O-])C1(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)COC1	REAL300012517819	0	47	0.0	-70.34	371.76	5.79	-64.55
CC(C)C(C)(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517820	0	54	0.0	-66.21	407.31	10.20	-56.01
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517821	0	50	0.0	-78.97	391.30	12.10	-66.87
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517822	0	53	0.0	-74.55	412.07	10.98	-63.57
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517823	0	54	0.0	-66.68	403.87	10.74	-55.94
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517824	0	49	0.0	-69.87	391.67	11.16	-58.71
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517825	0	51	0.0	-43.74	394.51	10.77	-32.97
CC1(C)CCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1C(=O)[O-]	REAL300012517826	0	55	0.0	-79.11	421.56	11.71	-67.40
CC(C)CCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517827	0	57	0.0	-71.16	447.00	11.20	-59.96
O=C([O-])C1(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCC2CC21	REAL300012517828	0	53	0.0	-77.00	408.91	10.99	-66.01
O=C([O-])C(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CCCC1	REAL300012517829	0	55	0.0	-72.05	422.64	10.67	-61.38
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517830	0	52	0.0	-71.17	409.16	7.28	-63.89
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517831	0	52	0.0	-78.53	402.67	9.80	-68.73
CC1(C)CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300012517832	0	55	0.0	-49.03	425.28	11.86	-37.17
COCCCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517833	0	55	0.0	-69.08	441.37	9.04	-60.04
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517834	0	54	0.0	-66.21	412.13	10.85	-55.36
CCOCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517835	0	52	0.0	-72.05	420.15	8.35	-63.70
CC(C)(C)CC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517836	0	57	0.0	-66.50	437.32	11.54	-54.96
C[C@H]1OCCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)[C@@H]1C(=O)[O-]	REAL300012517837	0	53	0.0	-78.02	406.45	10.57	-67.45
N#CCCC(NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012517838	0	49	0.0	-73.52	407.05	9.71	-63.81
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300012517839	0	48	0.0	-66.31	377.47	10.20	-56.11
CC[NH+](CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=CSC=C1	REAL300012518110	0	53	0.0	-65.13	402.69	8.91	-56.22
C=CCOCC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518111	0	52	0.0	-64.25	412.00	6.56	-57.69
C=CC(C)C(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518112	0	51	0.0	-64.68	394.34	7.82	-56.86
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CSC=C1	REAL300012518113	0	55	0.0	-65.17	416.46	6.84	-58.33
CC[NH+](CC)C(CNC(=O)N1CCC(OC)CC1C(=O)[O-])C1=CSC=C1	REAL300012518114	0	55	0.0	-80.34	396.98	8.51	-71.83
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CSC=C1	REAL300012518115	0	55	0.0	-67.18	407.88	7.49	-59.69
CC[NH+](CC)C(CNC(=O)N1CCC(C)CC1C(=O)[O-])C1=CSC=C1	REAL300012518116	0	54	0.0	-73.38	392.42	10.07	-63.31
CCCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](CC)CC	REAL300012518117	0	50	0.0	-52.24	379.80	10.29	-41.95
CC[NH+](CC)C(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)C1=CSC=C1	REAL300012518118	0	54	0.0	-46.15	394.40	10.33	-35.82
CCCN(C(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(COC)C(=O)[O-]	REAL300012518119	0	57	0.0	-60.62	423.55	8.88	-51.74
CCCN(C(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(CC)C(=O)[O-]	REAL300012518120	0	56	0.0	-46.87	419.33	11.44	-35.43
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)C1=CSC=C1	REAL300012518121	0	50	0.0	-65.71	374.49	7.97	-57.74
CC[NH+](CC)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CSC=C1	REAL300012518122	0	51	0.0	-77.83	380.21	9.94	-67.89
CC[NH+](CC)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CSC=C1	REAL300012518123	0	49	0.0	-71.54	378.43	9.74	-61.80
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CSC=C1	REAL300012518124	0	54	0.0	-68.43	397.69	8.96	-59.47
CC[NH+](CC)C(CNC(=O)N1CCCC1C(=O)[O-])C1=CSC=C1	REAL300012518125	0	48	0.0	-73.87	363.69	8.76	-65.11
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CSC=C1	REAL300012518126	0	51	0.0	-68.43	383.17	7.86	-60.57
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C1=CSC=C1	REAL300012518127	0	57	0.0	-70.08	395.39	10.23	-59.85
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CSC=C1	REAL300012518128	0	54	0.0	-65.24	423.95	9.74	-55.50
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CSC=C1	REAL300012518129	0	54	0.0	-51.71	417.30	12.54	-39.17
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012518130	0	51	0.0	-66.98	398.29	9.92	-57.06
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012518131	0	51	0.0	-67.31	398.16	9.85	-57.46
CCC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518132	0	47	0.0	-61.86	361.79	7.83	-54.03
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)C1=CSC=C1	REAL300012518133	0	50	0.0	-65.71	374.49	7.97	-57.74
CC[NH+](CC)C(CNC(=O)N(C)CC(=O)[O-])C1=CSC=C1	REAL300012518134	0	44	0.0	-61.68	341.38	7.56	-54.12
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CSC=C1	REAL300012518135	0	54	0.0	-65.24	423.95	9.74	-55.50
CC[NH+](CC)C(CNC(=O)NC(C)C(=O)[O-])C1=CSC=C1	REAL300012518136	0	44	0.0	-55.38	340.52	6.71	-48.67
CCC(C)C(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518137	0	53	0.0	-64.19	400.50	7.93	-56.26
CC[NH+](CC)C(CNC(=O)N(C)CC(=O)[O-])C1=CSC=C1	REAL300012518138	0	44	0.0	-61.68	341.38	7.56	-54.12
CC[NH+](CC)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CSC=C1	REAL300012518139	0	51	0.0	-77.83	380.21	9.94	-67.89
CCCC(C)(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518140	0	53	0.0	-63.75	385.95	8.56	-55.19
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)C1=CSC=C1	REAL300012518141	0	50	0.0	-63.23	368.25	9.53	-53.70
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CSC=C1	REAL300012518142	0	48	0.0	-55.21	369.29	9.00	-46.21
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](CC)CC	REAL300012518143	0	48	0.0	-51.75	370.68	9.83	-41.92
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(C)C)C1=CSC=C1	REAL300012518144	0	53	0.0	-51.88	393.94	10.54	-41.34
CC[NH+](CC)C(CNC(=O)NC(C)(C)C(=O)[O-])C1=CSC=C1	REAL300012518145	0	47	0.0	-54.26	352.78	7.15	-47.11
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CSC=C1	REAL300012518146	0	51	0.0	-70.05	377.72	8.76	-61.29
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1=CSC=C1	REAL300012518147	0	48	0.0	-65.64	387.10	8.25	-57.39
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CSC=C1	REAL300012518148	0	54	0.0	-68.43	397.69	8.96	-59.47
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)C1=CSC=C1	REAL300012518149	0	50	0.0	-63.23	368.25	9.53	-53.70
CCCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](CC)CC	REAL300012518150	0	50	0.0	-52.24	379.80	10.29	-41.95
CCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](CC)CC	REAL300012518151	0	47	0.0	-62.27	358.29	9.53	-52.74
CC[C@H](C)[C@H](NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518152	0	53	0.0	-66.16	399.63	7.73	-58.43
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CSC=C1	REAL300012518153	0	51	0.0	-68.43	383.17	7.86	-60.57
CC[NH+](CC)C(CNC(=O)NC(C)(CC)C(=O)[O-])C1=CSC=C1	REAL300012518154	0	50	0.0	-61.91	366.17	8.15	-53.76
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012518155	0	54	0.0	-67.91	404.61	10.31	-57.60
CC[NH+](CC)C(CNC(=O)N[C@@H](C)C(=O)[O-])C1=CSC=C1	REAL300012518156	0	44	0.0	-56.31	341.78	6.63	-49.68
CCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](CC)CC	REAL300012518157	0	47	0.0	-62.27	358.29	9.53	-52.74
CCCCCCC(C)(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518158	0	62	0.0	-62.28	452.17	11.23	-51.05
CC[NH+](CC)C(CNC(=O)N[C@H](C)C(=O)[O-])C1=CSC=C1	REAL300012518159	0	44	0.0	-58.75	342.48	6.54	-52.21
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC1)C1=CSC=C1	REAL300012518160	0	45	0.0	-71.66	352.50	6.96	-64.70
CC[NH+](CC)C(CNC(=O)N1CCOCC1C(=O)[O-])C1=CSC=C1	REAL300012518161	0	49	0.0	-75.80	365.75	8.31	-67.49
CC[NH+](CC)C(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)C1=CSC=C1	REAL300012518162	0	57	0.0	-74.60	400.83	11.28	-63.32
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CSC=C1	REAL300012518163	0	48	0.0	-68.90	365.68	7.59	-61.31
CC[NH+](CC)C(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012518164	0	54	0.0	-70.61	404.91	12.02	-58.59
CC[NH+](CC)C(CNC(=O)N(CCOC)CC(=O)[O-])C1=CSC=C1	REAL300012518165	0	51	0.0	-52.19	389.14	8.45	-43.74
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012518166	0	48	0.0	-69.25	361.52	9.37	-59.88
CC[NH+](CC)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012518167	0	51	0.0	-63.78	386.96	8.65	-55.13
CC[NH+](CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1=CSC=C1	REAL300012518168	0	47	0.0	-65.27	353.94	8.59	-56.68
CC[NH+](CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CSC=C1	REAL300012518169	0	48	0.0	-69.11	362.85	9.54	-59.57
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC1)C1=CSC=C1	REAL300012518170	0	48	0.0	-68.74	366.40	7.46	-61.28
C=CCC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518171	0	48	0.0	-62.07	375.31	8.22	-53.85
CC[NH+](CC)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CSC=C1	REAL300012518172	0	51	0.0	-69.85	379.93	10.11	-59.74
CC[NH+](CC)C(CNC(=O)N1CCCCCC1C(=O)[O-])C1=CSC=C1	REAL300012518173	0	54	0.0	-71.91	392.06	10.22	-61.69
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CSC=C1	REAL300012518174	0	48	0.0	-68.90	365.68	7.59	-61.31
CC[NH+](CC)C(CNC(=O)N(C)C(C)C(=O)[O-])C1=CSC=C1	REAL300012518175	0	47	0.0	-63.50	350.32	8.72	-54.78
CCCCC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518176	0	53	0.0	-61.72	404.79	9.38	-52.34
CC[NH+](CC)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CSC=C1	REAL300012518177	0	51	0.0	-72.58	381.77	8.95	-63.63
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CSC=C1	REAL300012518178	0	54	0.0	-55.76	402.67	10.15	-45.61
CC[NH+](CC)C(CNC(=O)NC(COC)C(=O)[O-])C1=CSC=C1	REAL300012518179	0	48	0.0	-63.37	373.89	6.00	-57.37
CCCCCC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518180	0	56	0.0	-62.63	429.77	9.11	-53.52
CCC1CCC(NC(=O)NCC(C2=CSC=C2)[NH+](CC)CC)(C(=O)[O-])CC1	REAL300012518181	0	60	0.0	-68.53	433.68	10.19	-58.34
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CSC=C1	REAL300012518182	0	55	0.0	-51.75	402.55	9.37	-42.38
CC[NH+](CC)C(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)C1=CSC=C1	REAL300012518183	0	54	0.0	-72.17	392.59	9.89	-62.28
CC[NH+](CC)C(CNC(=O)N(C(C)C(=O)[O-])C1CC1)C1=CSC=C1	REAL300012518184	0	51	0.0	-57.41	384.64	9.14	-48.27
CCC(C(=O)[O-])N(C(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C1CC1	REAL300012518185	0	54	0.0	-51.34	393.37	10.47	-40.87
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1=CSC=C1	REAL300012518186	0	51	0.0	-71.89	399.87	9.27	-62.62
CC[NH+](CC)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CSC=C1	REAL300012518187	0	60	0.0	-64.70	445.18	10.64	-54.06
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1)C1=CSC=C1	REAL300012518188	0	54	0.0	-67.04	419.72	10.60	-56.44
CC[NH+](CC)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CSC=C1	REAL300012518189	0	47	0.0	-58.08	381.45	7.41	-50.67
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)C1=CSC=C1	REAL300012518190	0	52	0.0	-67.41	396.40	8.70	-58.71
CC[NH+](CC)C(CNC(=O)NC(C)(COC)C(=O)[O-])C1=CSC=C1	REAL300012518191	0	51	0.0	-66.54	384.42	7.43	-59.11
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+](CC)CC	REAL300012518192	0	54	0.0	-60.39	402.75	9.02	-51.37
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(C)C)C1=CSC=C1	REAL300012518193	0	53	0.0	-51.88	393.94	10.54	-41.34
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CSC=C1	REAL300012518194	0	48	0.0	-55.21	369.29	9.00	-46.21
CC[NH+](CC)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1=CSC=C1	REAL300012518195	0	50	0.0	-52.59	402.83	9.69	-42.90
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CSC=C1	REAL300012518196	0	49	0.0	-62.27	367.73	6.29	-55.98
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CSC=C1	REAL300012518197	0	57	0.0	-65.24	419.25	8.93	-56.31
CC[NH+](CC)C(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])C1=CSC=C1	REAL300012518198	0	58	0.0	-66.45	429.99	9.85	-56.60
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)C1=CSC=C1	REAL300012518199	0	52	0.0	-68.17	386.03	6.45	-61.72
C=CCCC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518200	0	51	0.0	-62.25	396.34	9.09	-53.16
CC[NH+](CC)C(CNC(=O)NC(CF)C(=O)[O-])C1=CSC=C1	REAL300012518201	0	44	0.0	-53.10	344.13	6.75	-46.35
CC[NH+](CC)C(CNC(=O)N(C)C(C)C(=O)[O-])C1=CSC=C1	REAL300012518202	0	47	0.0	-63.50	350.32	8.72	-54.78
CC[NH+](CC)C(CNC(=O)NC(CC)(CC)C(=O)[O-])C1=CSC=C1	REAL300012518203	0	53	0.0	-68.05	386.33	7.98	-60.07
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](CC)CC	REAL300012518204	0	53	0.0	-49.60	395.81	9.86	-39.74
CC[NH+](CC)C(CNC(=O)NC(CC)(COC)C(=O)[O-])C1=CSC=C1	REAL300012518205	0	54	0.0	-68.90	404.34	7.30	-61.60
CC[NH+](CC)C(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])C1=CSC=C1	REAL300012518206	0	57	0.0	-60.29	428.24	8.80	-51.49
CC[NH+](CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CSC=C1	REAL300012518207	0	51	0.0	-68.71	395.86	9.10	-59.61
CC[NH+](CC)C(CNC(=O)NC(CCOC)C(=O)[O-])C1=CSC=C1	REAL300012518208	0	51	0.0	-62.59	395.71	6.83	-55.76
CC[NH+](CC)C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])C1=CSC=C1	REAL300012518209	0	56	0.0	-59.37	409.71	11.20	-48.17
CC[NH+](CC)C(CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CSC=C1	REAL300012518210	0	47	0.0	-62.23	374.14	8.12	-54.11
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CSC=C1)[NH+](CC)CC	REAL300012518211	0	57	0.0	-72.75	415.39	11.88	-60.87
CCCN(C(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012518212	0	53	0.0	-41.26	394.30	10.15	-31.11
CC[NH+](CC)C(CNC(=O)NC(CCF)C(=O)[O-])C1=CSC=C1	REAL300012518213	0	47	0.0	-63.17	366.90	7.58	-55.59
CC[NH+](CC)C(CNC(=O)NC(CC1(OC)CCC1)C(=O)[O-])C1=CSC=C1	REAL300012518214	0	58	0.0	-70.61	434.81	8.54	-62.07
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CSC=C1	REAL300012518215	0	55	0.0	-51.75	402.55	9.37	-42.38
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C1=CSC=C1	REAL300012518216	0	57	0.0	-53.08	420.06	10.86	-42.22
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)C1=CSC=C1	REAL300012518217	0	57	0.0	-73.88	407.30	10.20	-63.68
CC[NH+](CC)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CSC=C1	REAL300012518218	0	50	0.0	-60.19	376.25	7.23	-52.96
CC[NH+](CC)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1=CSC=C1	REAL300012518219	0	52	0.0	-69.95	398.45	9.29	-60.66
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012518220	0	48	0.0	-63.61	374.49	9.54	-54.07
CC[NH+](CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CSC=C1	REAL300012518221	0	47	0.0	-63.07	350.40	7.99	-55.08
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1=CSC=C1	REAL300012518222	0	60	0.0	-67.60	416.84	9.64	-57.96
CC[NH+](CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CSC=C1	REAL300012518223	0	49	0.0	-78.93	369.82	10.12	-68.81
CC[NH+](CC)C(CNC(=O)N1CC(OC)CC1(C)C(=O)[O-])C1=CSC=C1	REAL300012518224	0	55	0.0	-76.78	413.13	9.02	-67.76
CC[NH+](CC)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1=CSC=C1	REAL300012518225	0	58	0.0	-68.50	435.38	8.42	-60.08
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CSC=C1	REAL300012518226	0	53	0.0	-65.75	394.39	8.76	-56.99
C=C(Cl)CC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518227	0	48	0.0	-58.18	390.50	8.89	-49.29
C=C(C)CC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518228	0	51	0.0	-63.21	395.17	9.08	-54.13
CC[NH+](CC)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CSC=C1	REAL300012518229	0	52	0.0	-80.11	382.90	11.12	-68.99
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1=CSC=C1	REAL300012518230	0	48	0.0	-66.61	378.65	8.23	-58.38
CC[NH+](CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CSC=C1	REAL300012518231	0	48	0.0	-72.33	370.82	8.78	-63.55
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CSC=C2)[NH+](CC)CC)C1	REAL300012518232	0	49	0.0	-72.80	380.63	8.74	-64.06
CC[NH+](CC)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1=CSC=C1	REAL300012518233	0	58	0.0	-66.83	439.85	7.58	-59.25
CC[NH+](CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=CSC=C1	REAL300012518234	0	53	0.0	-65.13	402.69	8.91	-56.22
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CSC=C1	REAL300012518235	0	55	0.0	-65.17	416.46	6.84	-58.33
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012518236	0	51	0.0	-67.31	398.16	9.85	-57.46
CC[NH+](CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CSC=C1	REAL300012518237	0	51	0.0	-68.71	395.86	9.10	-59.61
CC[NH+](CC)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1=CSC=C1	REAL300012518238	0	50	0.0	-65.22	405.28	7.62	-57.60
CC[NH+](CC)C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])C1=CSC=C1	REAL300012518239	0	59	0.0	-61.72	443.86	10.68	-51.04
CC[NH+](CC)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C1=CSC=C1	REAL300012518240	0	55	0.0	-71.90	415.50	7.49	-64.41
CC[NH+](CC)C(CNC(=O)NC(CSC)C(=O)[O-])C1=CSC=C1	REAL300012518241	0	48	0.0	-59.30	385.49	8.19	-51.11
CC[NH+](CC)C(CNC(=O)N[C@@H](COC)C(=O)[O-])C1=CSC=C1	REAL300012518242	0	48	0.0	-66.37	379.75	5.00	-61.37
CC[C@H](NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518243	0	47	0.0	-64.64	367.55	6.78	-57.86
CCC(C)CC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518244	0	56	0.0	-62.27	418.40	9.79	-52.48
C=CCCCC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518245	0	54	0.0	-62.78	421.08	8.89	-53.89
CC[NH+](CC)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CSC=C1	REAL300012518246	0	49	0.0	-71.54	378.43	9.74	-61.80
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012518247	0	54	0.0	-67.91	404.61	10.31	-57.60
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012518248	0	48	0.0	-69.25	361.52	9.37	-59.88
CCCC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518249	0	50	0.0	-62.41	383.53	8.53	-53.88
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C1=CSC=C1	REAL300012518250	0	50	0.0	-69.30	376.09	7.93	-61.37
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CSC=C1	REAL300012518251	0	52	0.0	-78.01	379.69	11.15	-66.86
CCN(C(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(C)(C)C(=O)[O-]	REAL300012518252	0	53	0.0	-65.71	384.01	10.47	-55.24
CCCN(C(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012518253	0	53	0.0	-41.26	394.30	10.15	-31.11
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CSC=C1	REAL300012518254	0	47	0.0	-58.47	372.91	10.04	-48.43
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CSC=C1	REAL300012518255	0	47	0.0	-58.47	372.91	10.04	-48.43
CC[NH+](CC)C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C1=CSC=C1	REAL300012518256	0	50	0.0	-70.71	371.03	8.68	-62.03
CC[NH+](CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CSC=C1	REAL300012518257	0	48	0.0	-69.11	362.85	9.54	-59.57
CC[NH+](CC)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012518258	0	49	0.0	-78.63	375.24	5.73	-72.90
CCC[C@@H](NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518259	0	50	0.0	-68.53	385.24	8.43	-60.10
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012518260	0	51	0.0	-66.98	398.29	9.92	-57.06
C=CCCC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518261	0	51	0.0	-62.25	396.34	9.09	-53.16
CC[NH+](CC)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1=CSC=C1	REAL300012518262	0	50	0.0	-72.30	408.66	7.67	-64.63
CC[NH+](CC)C(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C1=CSC=C1	REAL300012518263	0	52	0.0	-63.65	386.46	8.60	-55.05
CC[NH+](CC)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CSC=C1	REAL300012518264	0	51	0.0	-75.80	379.91	10.05	-65.75
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C1=CSC=C1	REAL300012518265	0	50	0.0	-64.36	379.51	7.08	-57.28
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012518266	0	51	0.0	-65.57	395.43	9.17	-56.40
CC[NH+](CC)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1=CSC=C1	REAL300012518267	0	54	0.0	-71.86	409.60	9.01	-62.85
CC[NH+](CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CSC=C1	REAL300012518268	0	47	0.0	-63.07	350.40	7.99	-55.08
CCC[C@H](NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518269	0	50	0.0	-62.75	383.87	8.54	-54.21
CCN(C(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012518270	0	50	0.0	-58.76	374.51	8.58	-50.18
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CSC=C1	REAL300012518271	0	54	0.0	-55.76	402.67	10.15	-45.61
CC[NH+](CC)C(CNC(=O)N(C)CC(C)C(=O)[O-])C1=CSC=C1	REAL300012518272	0	50	0.0	-69.00	376.98	8.17	-60.83
CC[C@H](C)[C@H](NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518273	0	53	0.0	-66.16	399.63	7.73	-58.43
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+](CC)CC	REAL300012518274	0	50	0.0	-61.67	374.95	9.62	-52.05
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CSC=C1	REAL300012518275	0	52	0.0	-67.81	395.44	5.79	-62.02
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1=CSC=C1	REAL300012518276	0	60	0.0	-68.21	442.89	8.41	-59.80
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)C1=CSC=C1	REAL300012518277	0	54	0.0	-73.20	400.05	9.33	-63.87
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1=CSC=C1	REAL300012518278	0	57	0.0	-68.44	409.51	10.07	-58.37
CC[NH+](CC)C(CNC(=O)NC(CCOC)C(=O)[O-])C1=CSC=C1	REAL300012518279	0	51	0.0	-62.59	395.71	6.83	-55.76
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CSC=C1	REAL300012518280	0	54	0.0	-71.98	406.75	9.22	-62.76
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CSC=C1	REAL300012518281	0	51	0.0	-65.00	393.34	8.51	-56.49
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1=CSC=C1	REAL300012518282	0	60	0.0	-70.50	447.82	8.87	-61.63
CC[NH+](CC)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012518283	0	49	0.0	-75.74	377.14	5.13	-70.61
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CSC=C1	REAL300012518284	0	52	0.0	-68.72	386.40	6.07	-62.65
CC[NH+](CC)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CSC=C1	REAL300012518285	0	52	0.0	-76.07	388.52	9.77	-66.30
CC[NH+](CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CSC=C1	REAL300012518286	0	50	0.0	-74.04	377.78	7.51	-66.53
CC[NH+](CC)C(CNC(=O)N1CC(C)CCC1C(=O)[O-])C1=CSC=C1	REAL300012518287	0	54	0.0	-73.98	399.80	10.58	-63.40
CC[NH+](CC)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CSC=C1	REAL300012518288	0	58	0.0	-71.83	427.73	10.81	-61.02
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CSC=C1	REAL300012518289	0	51	0.0	-69.80	390.76	8.65	-61.15
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CSC=C1	REAL300012518290	0	57	0.0	-65.24	419.25	8.93	-56.31
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CSC=C1	REAL300012518291	0	51	0.0	-69.80	390.76	8.65	-61.15
CC[NH+](CC)C(CNC(=O)N1CCC(C)C1C(=O)[O-])C1=CSC=C1	REAL300012518292	0	51	0.0	-73.86	386.31	8.66	-65.20
C=CCC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518293	0	48	0.0	-62.07	375.31	8.22	-53.85
CC[NH+](CC)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CSC=C1	REAL300012518294	0	58	0.0	-68.01	434.46	9.33	-58.68
CC[NH+](CC)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1=CSC=C1	REAL300012518295	0	58	0.0	-45.91	405.78	10.60	-35.31
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1=CSC=C1	REAL300012518296	0	58	0.0	-66.92	412.32	8.71	-58.21
CC[NH+](CC)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CSC=C1	REAL300012518297	0	52	0.0	-34.97	386.82	9.62	-25.35
CC[NH+](CC)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CSC=C1	REAL300012518298	0	58	0.0	-71.83	427.73	10.81	-61.02
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(OC)C1)C1=CSC=C1	REAL300012518299	0	52	0.0	-70.32	396.64	7.48	-62.84
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1=CSC=C1	REAL300012518300	0	48	0.0	-66.64	371.60	8.53	-58.11
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)C1=CSC=C1	REAL300012518301	0	52	0.0	-64.29	398.64	6.35	-57.94
CC[NH+](CC)C(CNC(=O)N1CCCC1(CC)C(=O)[O-])C1=CSC=C1	REAL300012518302	0	54	0.0	-67.48	395.42	9.86	-57.62
CC[NH+](CC)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CSC=C1	REAL300012518303	0	47	0.0	-58.08	381.45	7.41	-50.67
CC[NH+](CC)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CSC=C1	REAL300012518304	0	55	0.0	-65.74	419.08	6.80	-58.94
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])COC1)C1=CSC=C1	REAL300012518305	0	46	0.0	-66.47	355.58	3.88	-62.59
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CSC=C1	REAL300012518306	0	51	0.0	-68.20	414.98	8.81	-59.39
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C1=CSC=C1	REAL300012518307	0	53	0.0	-63.54	384.58	7.71	-55.83
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012518308	0	49	0.0	-73.65	373.90	9.78	-63.87
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012518309	0	52	0.0	-73.07	390.15	9.25	-63.82
CC[NH+](CC)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CSC=C1	REAL300012518310	0	60	0.0	-64.70	445.18	10.64	-54.06
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1=CSC=C1	REAL300012518311	0	58	0.0	-70.06	426.34	10.28	-59.78
CC[NH+](CC)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1=CSC=C1	REAL300012518312	0	60	0.0	-68.34	448.92	10.03	-58.31
CC[NH+](CC)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1=CSC=C1	REAL300012518313	0	60	0.0	-64.64	445.17	10.63	-54.01
CC[NH+](CC)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1=CSC=C1	REAL300012518314	0	58	0.0	-34.94	421.97	10.38	-24.56
CC[NH+](CC)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012518315	0	58	0.0	-75.47	426.03	10.38	-65.09
C=CCSCC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518316	0	52	0.0	-59.93	423.25	8.60	-51.33
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CSC=C1)[NH+](CC)CC	REAL300012518317	0	53	0.0	-59.25	391.40	9.55	-49.70
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1(OC)CCC1)C1=CSC=C1	REAL300012518318	0	55	0.0	-61.55	410.80	7.27	-54.28
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1=CSC=C1	REAL300012518319	0	51	0.0	-70.48	398.64	8.25	-62.23
CC[NH+](CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CSC=C1	REAL300012518321	0	48	0.0	-72.33	370.82	8.78	-63.55
CC[NH+](CC)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CSC=C1	REAL300012518322	0	50	0.0	-36.81	377.47	10.00	-26.81
CC[NH+](CC)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CSC=C1	REAL300012518323	0	54	0.0	-70.39	394.36	10.45	-59.94
CC[NH+](CC)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1=CSC=C1	REAL300012518324	0	58	0.0	-73.03	423.37	11.35	-61.68
CC[NH+](CC)C(CNC(=O)NC(CCC(C)C)C(=O)[O-])C1=CSC=C1	REAL300012518325	0	56	0.0	-61.91	422.36	9.90	-52.01
CC[NH+](CC)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1=CSC=C1	REAL300012518326	0	55	0.0	-37.10	409.49	10.64	-26.46
CC[NH+](CC)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CSC=C1	REAL300012518327	0	55	0.0	-65.74	419.08	6.80	-58.94
CC[NH+](CC)C(CNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-])C1=CSC=C1	REAL300012518328	0	52	0.0	-71.51	407.18	9.93	-61.58
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1=CSC=C1	REAL300012518329	0	55	0.0	-69.93	406.45	9.36	-60.57
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CSC=C1	REAL300012518330	0	52	0.0	-69.37	390.87	8.71	-60.66
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1=CSC=C1	REAL300012518331	0	55	0.0	-72.51	407.82	9.94	-62.57
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CSC=C1	REAL300012518332	0	54	0.0	-68.52	401.08	8.82	-59.70
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C1=CSC=C1	REAL300012518333	0	51	0.0	-64.64	393.51	6.84	-57.80
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)C1=CSC=C1	REAL300012518334	0	51	0.0	-72.46	388.39	8.41	-64.05
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CSC=C1	REAL300012518335	0	54	0.0	-51.71	417.30	12.54	-39.17
CC[NH+](CC)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CSC=C1	REAL300012518336	0	54	0.0	-37.44	392.57	9.82	-27.62
CC[NH+](CC)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1=CSC=C1	REAL300012518337	0	51	0.0	-46.10	393.63	8.89	-37.21
CC[NH+](CC)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1=CSC=C1	REAL300012518338	0	48	0.0	-75.53	374.12	9.69	-65.84
CC[NH+](CC)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CSC=C1	REAL300012518339	0	51	0.0	-65.15	412.96	9.58	-55.57
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1=CSC=C1	REAL300012518340	0	51	0.0	-62.88	390.31	10.34	-52.54
CC[NH+](CC)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CSC=C1	REAL300012518341	0	51	0.0	-65.15	412.96	9.58	-55.57
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012518342	0	55	0.0	-78.50	401.17	10.73	-67.77
CC[NH+](CC)C(CNC(=O)NC(CCCOC)C(=O)[O-])C1=CSC=C1	REAL300012518343	0	54	0.0	-62.19	420.45	6.62	-55.57
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+](CC)CC	REAL300012518344	0	53	0.0	-59.01	398.74	9.64	-49.37
CCOCC(NC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518345	0	51	0.0	-63.66	395.75	6.98	-56.68
CC[NH+](CC)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CSC=C1	REAL300012518346	0	56	0.0	-68.69	412.52	10.20	-58.49
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C1=CSC=C1	REAL300012518347	0	55	0.0	-70.53	412.87	7.92	-62.61
CC[NH+](CC)C(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C1=CSC=C1	REAL300012518348	0	52	0.0	-77.43	379.41	7.98	-69.45
CC[NH+](CC)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CSC=C1	REAL300012518349	0	48	0.0	-66.04	381.15	7.94	-58.10
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1=CSC=C1	REAL300012518350	0	51	0.0	-57.94	401.36	9.48	-48.46
CC[NH+](CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1=CSC=C1	REAL300012518351	0	47	0.0	-65.27	353.94	8.59	-56.68
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CSC=C2)[NH+](CC)CC)C1	REAL300012518352	0	55	0.0	-69.25	420.74	8.70	-60.55
CC(C)C[C@H](NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518353	0	59	0.0	-64.40	417.27	9.68	-54.72
C=CCOCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518354	0	58	0.0	-66.97	428.18	8.11	-58.86
C=CC(C)C(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518355	0	57	0.0	-69.65	406.81	9.05	-60.60
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[NH+]1CCC(C)CC1	REAL300012518356	0	61	0.0	-71.17	425.16	8.03	-63.14
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[NH+]1CCC(C)CC1	REAL300012518357	0	57	0.0	-62.60	430.07	10.37	-52.23
COC1CCN(C(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C(C(=O)[O-])C1	REAL300012518358	0	61	0.0	-59.98	420.75	9.23	-50.75
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[NH+]1CCC(C)CC1	REAL300012518359	0	61	0.0	-67.56	425.71	7.99	-59.57
CC(C)C(CNC(=O)N1CCC(C)CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518360	0	60	0.0	-74.56	412.66	11.34	-63.22
CC1=CC(C(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C(=O)[O-])=CC=C1F	REAL300012518361	0	60	0.0	-64.20	443.52	10.98	-53.22
CC1=CC(C(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C(=O)[O-])=CC(C)=C1	REAL300012518362	0	63	0.0	-69.83	460.56	11.71	-58.12
CC1=CC=C(C(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C(=O)[O-])C=C1C	REAL300012518363	0	63	0.0	-65.90	453.01	11.63	-54.27
CC1=CC=CC(C(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C(=O)[O-])=C1C	REAL300012518364	0	63	0.0	-66.94	446.44	11.26	-55.68
CCCN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518365	0	56	0.0	-46.36	401.00	10.89	-35.47
CC(C)C(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[NH+]1CCC(C)CC1	REAL300012518366	0	60	0.0	-55.92	410.89	10.05	-45.87
CCCN(C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(COC)C(=O)[O-]	REAL300012518367	0	63	0.0	-69.43	442.40	11.61	-57.82
CCCN(C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(CC)C(=O)[O-]	REAL300012518368	0	62	0.0	-71.83	427.05	12.48	-59.35
CC(C)C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]1CCC(C)CC1	REAL300012518369	0	56	0.0	-68.79	393.34	8.51	-60.28
CC(C)C(CNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518370	0	57	0.0	-78.95	391.08	11.51	-67.44
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[NH+]1CCC(C)CC1	REAL300012518371	0	57	0.0	-65.72	430.90	9.79	-55.93
CC(C)C(CNC(=O)N1CCSCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518372	0	55	0.0	-76.66	388.33	10.20	-66.46
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCC(C)CC1	REAL300012518373	0	60	0.0	-70.95	411.10	9.59	-61.36
CC(C)C(CNC(=O)N1CCCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518374	0	54	0.0	-68.73	380.34	9.30	-59.43
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCC(C)CC1	REAL300012518375	0	57	0.0	-73.48	393.06	8.24	-65.24
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[NH+]1CCC(C)CC1	REAL300012518376	0	63	0.0	-72.05	416.76	10.27	-61.78
CC(C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518377	0	60	0.0	-69.56	439.42	11.25	-58.31
CC(C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012518378	0	60	0.0	-46.22	438.51	13.13	-33.09
CC(C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012518379	0	57	0.0	-69.45	417.41	10.24	-59.21
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012518380	0	57	0.0	-69.33	414.77	9.23	-60.10
CCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518381	0	53	0.0	-63.17	377.62	8.37	-54.80
CC(C)C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]1CCC(C)CC1	REAL300012518382	0	56	0.0	-68.79	393.34	8.51	-60.28
CC(C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518383	0	60	0.0	-69.56	439.42	11.25	-58.31
CCC(C)C(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518384	0	59	0.0	-67.46	412.48	9.14	-58.32
CC(C)C(CNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518385	0	57	0.0	-78.95	391.08	11.51	-67.44
CCCC(C)(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518386	0	59	0.0	-65.69	406.88	9.31	-56.38
CC(C)C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]1CCC(C)CC1	REAL300012518387	0	56	0.0	-67.64	381.14	10.43	-57.21
CC(C)C(CNC(=O)N(CC(=O)[O-])C1CC1)[NH+]1CCC(C)CC1	REAL300012518388	0	54	0.0	-44.84	380.01	9.52	-35.32
C=CCN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518389	0	54	0.0	-52.64	391.51	10.54	-42.10
CC(C)CN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518390	0	59	0.0	-52.73	414.85	11.25	-41.48
CC(C)C(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518391	0	61	0.0	-78.57	429.77	12.70	-65.87
CC(C)C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518392	0	53	0.0	-58.34	371.98	7.55	-50.79
CC(C)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[NH+]1CCC(C)CC1	REAL300012518393	0	57	0.0	-68.95	394.88	9.29	-59.66
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012518394	0	54	0.0	-66.80	405.80	8.35	-58.45
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCC(C)CC1	REAL300012518395	0	60	0.0	-70.95	411.10	9.59	-61.36
CC(C)C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]1CCC(C)CC1	REAL300012518396	0	56	0.0	-67.64	381.14	10.43	-57.21
CCCN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518397	0	56	0.0	-46.36	401.00	10.89	-35.47
CCN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518398	0	53	0.0	-68.66	376.37	9.98	-58.68
CC[C@H](C)[C@H](NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518399	0	59	0.0	-69.11	409.15	8.17	-60.94
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCC(C)CC1	REAL300012518400	0	57	0.0	-73.48	393.06	8.24	-65.24
CC(C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[NH+]1CCC(C)CC1	REAL300012518401	0	60	0.0	-45.80	441.89	12.06	-33.74
CCC(C)(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518402	0	56	0.0	-65.53	385.38	8.55	-56.98
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[NH+]1CCC(C)CC1	REAL300012518403	0	61	0.0	-69.38	432.75	10.42	-58.96
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)[NH+]1CCC(C)CC1	REAL300012518404	0	57	0.0	-67.70	428.52	10.55	-57.15
CC(C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012518405	0	60	0.0	-67.62	422.43	11.21	-56.41
CCN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518406	0	53	0.0	-68.66	376.37	9.98	-58.68
CCCCCCC(C)(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518407	0	68	0.0	-65.90	471.37	11.63	-54.27
CC(C)C(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518408	0	63	0.0	-67.36	445.97	13.40	-53.96
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300012518409	0	51	0.0	-74.89	362.97	7.37	-67.52
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[NH+]1CCC(C)CC1	REAL300012518410	0	57	0.0	-65.72	430.90	9.79	-55.93
CC(C)C(CNC(=O)N1CCOCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518411	0	55	0.0	-75.98	380.78	8.69	-67.29
CC(C)C(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[NH+]1CCC(C)CC1	REAL300012518412	0	63	0.0	-75.80	417.89	10.73	-65.07
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CC1)[NH+]1CCC(C)CC1	REAL300012518413	0	54	0.0	-67.80	386.20	7.68	-60.12
CC(C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518414	0	63	0.0	-45.64	457.80	13.95	-31.69
CC(C)C(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012518415	0	60	0.0	-68.16	425.71	11.16	-57.00
COCCN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518416	0	57	0.0	-46.94	410.88	9.31	-37.63
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)[NH+]1CCC(C)CC1	REAL300012518417	0	61	0.0	-74.41	429.82	10.36	-64.05
CC(C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518418	0	54	0.0	-76.03	379.31	9.77	-66.26
CC(C)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518419	0	57	0.0	-79.59	382.89	10.92	-68.67
CC(C)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518420	0	53	0.0	-64.64	371.28	9.12	-55.52
CC(C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518421	0	54	0.0	-73.23	378.82	10.03	-63.20
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCC1)[NH+]1CCC(C)CC1	REAL300012518422	0	54	0.0	-74.00	382.93	9.00	-65.00
C=CCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518423	0	54	0.0	-62.50	390.93	8.81	-53.69
CC(C)C(CNC(=O)N1CCCC1(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518424	0	57	0.0	-71.64	397.08	10.63	-61.01
CC(C)C(CNC(=O)N1CCCCCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518425	0	60	0.0	-75.50	405.84	10.93	-64.57
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CC1)[NH+]1CCC(C)CC1	REAL300012518426	0	54	0.0	-67.80	386.20	7.68	-60.12
CC(C)C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518427	0	53	0.0	-63.56	370.85	9.22	-54.34
CCCCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518428	0	59	0.0	-65.77	423.40	9.73	-56.04
CC(C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518429	0	63	0.0	-45.64	457.80	13.95	-31.69
CC(C)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518430	0	57	0.0	-71.70	396.79	10.64	-61.06
CC(C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCC(C)CC1	REAL300012518431	0	60	0.0	-50.26	413.54	10.58	-39.68
COCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518432	0	54	0.0	-67.42	392.61	6.40	-61.02
CCCCCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518433	0	62	0.0	-63.90	442.95	10.68	-53.22
CCC1CCC(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)(C(=O)[O-])CC1	REAL300012518434	0	66	0.0	-73.68	450.39	11.74	-61.94
CC(C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[NH+]1CCC(C)CC1	REAL300012518435	0	61	0.0	-43.93	421.17	10.07	-33.86
CC(C)C(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)[NH+]1CCC(C)CC1	REAL300012518436	0	60	0.0	-72.18	407.04	11.13	-61.05
CC(C)C(CNC(=O)N(C(C)C(=O)[O-])C1CC1)[NH+]1CCC(C)CC1	REAL300012518437	0	57	0.0	-54.47	389.48	9.65	-44.82
CCC(C(=O)[O-])N(C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C1CC1	REAL300012518438	0	60	0.0	-68.62	409.74	10.73	-57.89
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)[NH+]1CCC(C)CC1	REAL300012518439	0	57	0.0	-71.58	426.69	9.66	-61.92
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)[NH+]1CCC(C)CC1	REAL300012518440	0	57	0.0	-75.70	419.10	9.34	-66.36
CC(C)C(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518441	0	61	0.0	-54.11	431.21	12.72	-41.39
CC(C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518442	0	66	0.0	-67.55	458.84	10.38	-57.17
CC(C)C(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012518443	0	63	0.0	-53.20	448.06	12.45	-40.75
CC1=CC=C(C(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012518444	0	60	0.0	-69.38	436.20	9.91	-59.47
CC(C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518445	0	53	0.0	-58.57	394.38	9.04	-49.53
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)[NH+]1CCC(C)CC1	REAL300012518446	0	58	0.0	-67.35	405.85	9.07	-58.28
COCC(C)(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518447	0	57	0.0	-69.89	403.62	7.84	-62.05
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518448	0	60	0.0	-63.60	424.47	9.58	-54.02
CC(C)CN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518449	0	59	0.0	-52.73	414.85	11.25	-41.48
CC(C)C(CNC(=O)N(CC(=O)[O-])C1CC1)[NH+]1CCC(C)CC1	REAL300012518450	0	54	0.0	-44.84	380.01	9.52	-35.32
CC(C)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518451	0	56	0.0	-46.51	419.14	11.27	-35.24
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCOC1)[NH+]1CCC(C)CC1	REAL300012518452	0	55	0.0	-68.40	384.92	5.69	-62.71
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[NH+]1CCC(C)CC1	REAL300012518453	0	63	0.0	-67.93	431.71	9.45	-58.48
CC(C)C(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518454	0	64	0.0	-66.43	449.25	10.93	-55.50
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)[NH+]1CCC(C)CC1	REAL300012518455	0	58	0.0	-73.03	399.57	6.88	-66.15
C=CCCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518456	0	57	0.0	-65.73	415.87	9.65	-56.08
CC(C)C(CNC(=O)NC(CF)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518457	0	50	0.0	-56.64	363.02	7.17	-49.47
CC(C)C(CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518458	0	63	0.0	-34.36	442.98	13.03	-21.33
CC(C)C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518459	0	53	0.0	-63.56	370.85	9.22	-54.34
CCC(CC)(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518460	0	59	0.0	-66.68	402.05	9.43	-57.25
COC1=CC=C(C(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012518461	0	61	0.0	-69.37	444.26	8.54	-60.83
CCC(C)N(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518462	0	59	0.0	-45.45	411.86	11.67	-33.78
CCC(COC)(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518463	0	60	0.0	-71.20	420.30	8.73	-62.47
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518464	0	63	0.0	-61.99	440.54	10.51	-51.48
CC(C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518465	0	57	0.0	-68.89	410.24	8.72	-60.17
COCCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518466	0	57	0.0	-65.40	414.40	7.40	-58.00
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518467	0	62	0.0	-63.36	430.95	11.92	-51.44
CC(C)C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518468	0	53	0.0	-62.34	391.85	8.71	-53.63
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518469	0	63	0.0	-74.48	431.51	12.10	-62.38
CCCN(C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012518470	0	59	0.0	-43.45	407.60	11.03	-32.42
CC(C)C(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518471	0	63	0.0	-44.26	441.34	13.45	-30.81
CCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012518472	0	63	0.0	-69.46	439.44	10.92	-58.54
COC1CCCC(C(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C(=O)[O-])C1	REAL300012518473	0	67	0.0	-73.44	466.76	9.46	-63.98
CC(C)C(CNC(=O)NC(CCF)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518474	0	53	0.0	-62.32	384.21	8.51	-53.81
COC1(CC(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C(=O)[O-])CCC1	REAL300012518475	0	64	0.0	-68.38	449.59	9.60	-58.78
CC(C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[NH+]1CCC(C)CC1	REAL300012518476	0	61	0.0	-43.93	421.17	10.07	-33.86
CC(C)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)[NH+]1CCC(C)CC1	REAL300012518477	0	63	0.0	-46.64	430.32	11.25	-35.39
CC(C)C(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[NH+]1CCC(C)CC1	REAL300012518478	0	63	0.0	-73.50	423.68	10.70	-62.80
COC1=CC=CC(C(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012518479	0	61	0.0	-67.81	444.09	9.71	-58.10
CC(C)C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518480	0	56	0.0	-62.75	391.97	8.68	-54.07
CC(C)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518481	0	58	0.0	-52.78	413.33	10.77	-42.01
CC(C)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518482	0	54	0.0	-70.85	390.19	10.48	-60.37
COC1=CC=CC([C@H](NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012518483	0	61	0.0	-71.80	444.94	8.55	-63.25
CC(C)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518484	0	53	0.0	-65.19	368.73	8.18	-57.01
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C1	REAL300012518485	0	63	0.0	-77.36	445.79	12.12	-65.24
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[NH+]1CCC(C)CC1	REAL300012518486	0	66	0.0	-72.23	435.85	10.19	-62.04
CC(C)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[NH+]1CCC(C)CC1	REAL300012518487	0	55	0.0	-81.23	387.86	10.82	-70.41
COC1CN(C(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C(C)(C(=O)[O-])C1	REAL300012518488	0	61	0.0	-72.58	430.23	9.81	-62.77
CC(C)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518489	0	64	0.0	-66.26	449.67	8.06	-58.20
CC(C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]1CCC(C)CC1	REAL300012518490	0	59	0.0	-70.45	409.43	8.28	-62.17
C=C(Cl)CC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518491	0	54	0.0	-64.23	406.88	9.43	-54.80
C=C(C)CC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518492	0	57	0.0	-65.77	414.25	9.39	-56.38
CC(C)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[NH+]1CCC(C)CC1	REAL300012518493	0	58	0.0	-84.08	399.36	10.53	-73.55
CC(C)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518494	0	54	0.0	-69.30	393.20	9.95	-59.35
CC(C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518495	0	54	0.0	-73.68	386.82	10.32	-63.36
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C1	REAL300012518496	0	55	0.0	-73.61	390.59	10.12	-63.49
CC(C)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518497	0	64	0.0	-67.43	443.35	9.82	-57.61
CC(C)C[C@H](NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518498	0	59	0.0	-64.40	417.27	9.68	-54.72
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[NH+]1CCC(C)CC1	REAL300012518499	0	61	0.0	-71.17	425.16	8.03	-63.14
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012518500	0	57	0.0	-69.33	414.77	9.23	-60.10
CC(C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518501	0	57	0.0	-68.89	410.24	8.72	-60.17
CC(C)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518502	0	56	0.0	-67.39	423.60	7.36	-60.03
CC(C)CCCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518503	0	65	0.0	-63.96	460.52	11.19	-52.77
CC(C)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518504	0	61	0.0	-70.92	434.64	8.73	-62.19
CSCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518505	0	54	0.0	-63.27	404.03	8.62	-54.65
COC[C@H](NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518506	0	54	0.0	-69.42	390.14	5.40	-64.02
CC[C@H](NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518507	0	53	0.0	-66.11	381.56	8.33	-57.78
CC(C)C(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518508	0	60	0.0	-67.11	444.12	10.29	-56.82
CCC(C)CC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518509	0	62	0.0	-66.88	438.17	10.14	-56.74
C=CCCCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518510	0	60	0.0	-66.11	437.04	10.29	-55.82
CC(C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518511	0	60	0.0	-64.17	443.23	11.43	-52.74
CC(C)C(CNC(=O)N1CCSCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518512	0	55	0.0	-76.66	388.33	10.20	-66.46
CC(C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012518513	0	60	0.0	-67.62	422.43	11.21	-56.41
CC(C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518514	0	54	0.0	-76.03	379.31	9.77	-66.26
CCCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518515	0	56	0.0	-65.82	401.90	8.95	-56.87
CC(C)C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+]1CCC(C)CC1	REAL300012518516	0	56	0.0	-66.33	390.73	7.60	-58.73
CC(C)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518517	0	58	0.0	-81.56	402.61	11.78	-69.78
CCN(C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(C)(C)C(=O)[O-]	REAL300012518518	0	59	0.0	-72.50	402.60	10.93	-61.57
CCCN(C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012518519	0	59	0.0	-43.45	407.60	11.03	-32.42
CC(C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]1CCC(C)CC1	REAL300012518520	0	53	0.0	-63.34	394.87	10.38	-52.96
CC(C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]1CCC(C)CC1	REAL300012518521	0	53	0.0	-63.34	394.87	10.38	-52.96
CC(C)C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518522	0	56	0.0	-72.23	386.83	10.16	-62.07
CC(C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518523	0	54	0.0	-73.23	378.82	10.03	-63.20
CC(C)C(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518524	0	66	0.0	-53.68	467.03	8.45	-45.23
CC(C)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518525	0	55	0.0	-76.52	392.16	6.38	-70.14
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518526	0	61	0.0	-44.81	433.74	12.04	-32.77
CCC[C@@H](NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518527	0	56	0.0	-66.92	400.27	7.94	-58.98
CC(C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012518528	0	57	0.0	-69.45	417.41	10.24	-59.21
CC(C)C(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518529	0	62	0.0	-71.62	457.85	10.35	-61.27
C=CCCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518530	0	57	0.0	-65.73	415.87	9.65	-56.08
CC(C)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518531	0	56	0.0	-71.47	426.18	8.19	-63.28
CC(C)C(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518532	0	57	0.0	-86.78	410.72	7.75	-79.03
CC(C)C(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518533	0	58	0.0	-63.19	404.44	8.80	-54.39
CC(C)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518534	0	57	0.0	-73.07	396.39	10.63	-62.44
CC(C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+]1CCC(C)CC1	REAL300012518535	0	56	0.0	-65.07	395.41	8.72	-56.35
CC(C)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012518536	0	57	0.0	-67.79	417.37	10.25	-57.54
CC(C)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518537	0	60	0.0	-68.58	428.29	8.64	-59.94
CC(C)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518538	0	53	0.0	-65.19	368.73	8.18	-57.01
CCC[C@H](NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518539	0	56	0.0	-65.82	401.90	8.95	-56.87
CCN(C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012518540	0	56	0.0	-69.05	392.05	10.76	-58.29
CC(C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCC(C)CC1	REAL300012518541	0	60	0.0	-50.26	413.54	10.58	-39.68
CC(C)C(CNC(=O)N(C)CC(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518542	0	56	0.0	-68.46	388.80	9.82	-58.64
CC[C@H](C)[C@H](NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518543	0	59	0.0	-69.11	409.15	8.17	-60.94
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518544	0	56	0.0	-65.99	389.02	9.31	-56.68
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[NH+]1CCC(C)CC1	REAL300012518545	0	58	0.0	-79.18	410.18	5.06	-74.12
CC(C)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[NH+]1CCC(C)CC1	REAL300012518546	0	66	0.0	-70.36	460.93	8.49	-61.87
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[NH+]1CCC(C)CC1	REAL300012518547	0	60	0.0	-73.33	417.57	10.03	-63.30
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[NH+]1CCC(C)CC1	REAL300012518548	0	63	0.0	-73.32	427.10	10.79	-62.53
COCCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518549	0	57	0.0	-65.40	414.40	7.40	-58.00
CC(C)C(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518550	0	63	0.0	-67.36	445.97	13.40	-53.96
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[NH+]1CCC(C)CC1	REAL300012518551	0	60	0.0	-75.20	415.84	9.58	-65.62
CC(C)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[NH+]1CCC(C)CC1	REAL300012518552	0	57	0.0	-68.18	400.74	8.54	-59.64
CC(C)C(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[NH+]1CCC(C)CC1	REAL300012518553	0	66	0.0	-70.46	465.17	9.49	-60.97
CC(C)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518554	0	55	0.0	-81.82	389.24	6.56	-75.26
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)[NH+]1CCC(C)CC1	REAL300012518555	0	58	0.0	-67.49	413.17	6.30	-61.19
CC(C)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518556	0	58	0.0	-80.32	400.06	11.31	-69.01
CC(C)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[NH+]1CCC(C)CC1	REAL300012518557	0	56	0.0	-76.48	393.23	7.99	-68.49
CC(C)C(CNC(=O)N1CC(C)CCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518558	0	60	0.0	-73.86	412.57	11.31	-62.55
CC(C)C(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012518559	0	63	0.0	-68.71	455.16	11.73	-56.98
CC(C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518560	0	64	0.0	-68.56	449.46	11.96	-56.60
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH+]1CCC(C)CC1	REAL300012518561	0	57	0.0	-67.68	398.65	8.05	-59.63
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[NH+]1CCC(C)CC1	REAL300012518562	0	63	0.0	-67.93	431.71	9.45	-58.48
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH+]1CCC(C)CC1	REAL300012518563	0	57	0.0	-67.68	398.65	8.05	-59.63
CC(C)C(CNC(=O)N1CCC(C)C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518564	0	57	0.0	-73.75	396.52	9.46	-64.29
C=CCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518565	0	54	0.0	-62.50	390.93	8.81	-53.69
CC(C)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518566	0	64	0.0	-69.46	454.61	9.35	-60.11
CC(C)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[NH+]1CCC(C)CC1	REAL300012518567	0	64	0.0	-44.71	426.08	11.95	-32.76
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)[NH+]1CCC(C)CC1	REAL300012518568	0	64	0.0	-71.24	429.21	8.15	-63.09
CC(C)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518569	0	58	0.0	-46.15	400.25	11.28	-34.87
CC(C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518570	0	64	0.0	-68.56	449.46	11.96	-56.60
CC(C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518571	0	60	0.0	-71.18	445.83	11.32	-59.86
COC1CC(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012518572	0	58	0.0	-69.82	411.37	6.75	-63.07
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[NH+]1CCC(C)CC1	REAL300012518573	0	54	0.0	-72.69	391.36	9.02	-63.67
CO[C@H]1C[C@](NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012518574	0	58	0.0	-67.67	413.30	7.76	-59.91
CC(C)C(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[NH+]1CCC(C)CC1	REAL300012518575	0	57	0.0	-70.36	420.45	9.00	-61.36
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518576	0	60	0.0	-74.05	410.06	10.78	-63.27
CC(C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518577	0	53	0.0	-58.57	394.38	9.04	-49.53
CC(C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518578	0	61	0.0	-66.64	432.31	7.91	-58.73
CC(C)C(CNC(=O)NC1(C(=O)[O-])COC1)[NH+]1CCC(C)CC1	REAL300012518579	0	52	0.0	-67.46	373.75	6.03	-61.43
CC(C)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518580	0	57	0.0	-70.17	428.10	9.26	-60.91
CC(C)C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+]1CCC(C)CC1	REAL300012518581	0	59	0.0	-68.29	402.11	9.23	-59.06
CC(C)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518582	0	55	0.0	-78.17	386.44	11.23	-66.94
CC(C)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518583	0	58	0.0	-77.73	401.80	10.85	-66.88
CC(C)C(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518584	0	63	0.0	-44.26	441.34	13.45	-30.81
CC(C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518585	0	66	0.0	-67.55	458.84	10.38	-57.17
CC(C)C(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518586	0	63	0.0	-69.66	459.34	10.97	-58.69
CC(C)C(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518587	0	63	0.0	-67.66	459.62	12.21	-55.45
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)[NH+]1CCC(C)CC1	REAL300012518588	0	64	0.0	-67.38	439.72	9.86	-57.52
CC(C)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518589	0	66	0.0	-69.77	461.82	11.61	-58.16
CC(C)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518590	0	66	0.0	-70.08	458.97	10.37	-59.71
CC(C)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518591	0	64	0.0	-48.95	435.49	11.71	-37.24
CC(C)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518592	0	64	0.0	-76.11	435.17	12.03	-64.08
C=CCSCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518593	0	58	0.0	-63.31	439.31	10.19	-53.12
CCC(C(=O)[O-])N(CC)C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518594	0	59	0.0	-70.14	407.76	11.61	-58.53
COC1(C(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C(=O)[O-])CCC1	REAL300012518595	0	61	0.0	-63.55	428.44	7.84	-55.71
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)[NH+]1CCC(C)CC1	REAL300012518596	0	57	0.0	-77.73	411.59	8.71	-69.02
CC(C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518598	0	54	0.0	-73.68	386.82	10.32	-63.36
CC(C)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518599	0	56	0.0	-44.83	393.35	9.91	-34.92
CC(C)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518600	0	60	0.0	-74.73	416.49	9.94	-64.79
CC(C)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518601	0	64	0.0	-79.41	435.85	13.16	-66.25
CC(C)CCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518602	0	62	0.0	-63.23	438.18	10.44	-52.79
CC(C)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518603	0	61	0.0	-47.25	425.25	11.59	-35.66
CC(C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518604	0	61	0.0	-66.64	432.31	7.91	-58.73
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C1	REAL300012518605	0	58	0.0	-71.35	419.61	11.29	-60.06
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)[NH+]1CCC(C)CC1	REAL300012518606	0	61	0.0	-70.12	416.71	9.76	-60.36
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)[NH+]1CCC(C)CC1	REAL300012518607	0	58	0.0	-71.13	404.05	10.26	-60.87
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)[NH+]1CCC(C)CC1	REAL300012518608	0	61	0.0	-70.49	424.85	10.52	-59.97
CC(C)C(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518609	0	63	0.0	-67.37	445.97	13.40	-53.97
CC(C)C(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)[NH+]1CCC(C)CC1	REAL300012518610	0	67	0.0	-47.10	454.31	12.57	-34.53
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)[NH+]1CCC(C)CC1	REAL300012518611	0	60	0.0	-68.12	414.84	8.69	-59.43
CO[C@H](C)[C@H](NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518612	0	57	0.0	-69.91	409.28	6.44	-63.47
CC(C)C(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[NH+]1CCC(C)CC1	REAL300012518613	0	57	0.0	-75.65	402.88	9.96	-65.69
CC(C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012518614	0	60	0.0	-46.22	438.51	13.13	-33.09
CC(C)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518615	0	60	0.0	-39.93	417.26	9.87	-30.06
CC(C)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518616	0	57	0.0	-76.21	399.64	10.25	-65.96
CC(C)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518617	0	54	0.0	-76.83	392.23	10.32	-66.51
CC(C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518618	0	60	0.0	-71.18	445.83	11.32	-59.86
CC(C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518619	0	57	0.0	-69.72	427.63	9.15	-60.57
CC(C)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518620	0	57	0.0	-65.45	409.18	10.75	-54.70
CC(C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518621	0	57	0.0	-69.72	427.63	9.15	-60.57
CC(C)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518622	0	61	0.0	-78.69	419.33	11.55	-67.14
COCCCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518623	0	60	0.0	-66.09	436.41	8.02	-58.07
CCCC(C(=O)[O-])N(C)C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300012518624	0	59	0.0	-63.17	413.49	11.08	-52.09
CCOCC(NC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012518625	0	57	0.0	-66.54	414.79	7.53	-59.01
CC(C)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518626	0	62	0.0	-67.64	428.67	10.74	-56.90
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[NH+]1CCC(C)CC1	REAL300012518627	0	61	0.0	-69.53	432.48	8.73	-60.80
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[NH+]1CCC(C)CC1	REAL300012518628	0	61	0.0	-69.38	432.75	10.42	-58.96
CC(C)C(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518629	0	58	0.0	-76.45	401.50	9.67	-66.78
CC(C)C(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518630	0	54	0.0	-67.50	401.26	8.69	-58.81
CC(C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[NH+]1CCC(C)CC1	REAL300012518631	0	57	0.0	-49.46	411.62	9.87	-39.59
CC(C)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012518632	0	53	0.0	-64.64	371.28	9.12	-55.52
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C1	REAL300012518633	0	61	0.0	-70.84	432.84	10.16	-60.68
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])N1CCOCC1	REAL300012518777	0	59	0.0	-62.43	433.21	3.66	-58.77
CC[NH+](CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012518898	0	59	0.0	-66.42	425.32	9.76	-56.66
C=CCOCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518899	0	58	0.0	-69.70	435.59	7.93	-61.77
C=CC(C)C(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518900	0	57	0.0	-64.46	414.56	9.02	-55.44
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)CC1=CC=CC=C1	REAL300012518901	0	61	0.0	-69.35	431.55	8.11	-61.24
CC[NH+](CC)C(CNC(=O)N1CCC(OC)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300012518902	0	61	0.0	-75.54	427.41	10.15	-65.39
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)CC1=CC=CC=C1	REAL300012518903	0	61	0.0	-64.37	431.51	8.15	-56.22
CC[NH+](CC)C(CNC(=O)N1CCC(C)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300012518904	0	60	0.0	-75.55	416.34	12.06	-63.49
CCCN(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC	REAL300012518905	0	56	0.0	-44.95	412.86	10.87	-34.08
CC[NH+](CC)C(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)CC1=CC=CC=C1	REAL300012518906	0	60	0.0	-29.98	410.17	12.19	-17.79
CCCN(C(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(COC)C(=O)[O-]	REAL300012518907	0	63	0.0	-63.97	451.66	10.71	-53.26
CCCN(C(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(CC)C(=O)[O-]	REAL300012518908	0	62	0.0	-64.12	438.24	11.85	-52.27
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300012518909	0	56	0.0	-67.03	403.15	8.69	-58.34
CC[NH+](CC)C(CNC(=O)N1CCCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012518910	0	57	0.0	-75.32	395.43	11.44	-63.88
CC[NH+](CC)C(CNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012518911	0	55	0.0	-72.46	395.18	11.19	-61.27
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)CC1=CC=CC=C1	REAL300012518912	0	60	0.0	-64.97	416.57	10.54	-54.43
CC[NH+](CC)C(CNC(=O)N1CCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012518913	0	54	0.0	-72.52	385.18	9.70	-62.82
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300012518914	0	57	0.0	-65.19	401.49	9.40	-55.79
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)CC1=CC=CC=C1	REAL300012518915	0	63	0.0	-71.87	418.96	11.07	-60.80
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012518916	0	60	0.0	-62.84	445.19	11.40	-51.44
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300012518917	0	60	0.0	-53.30	442.68	13.09	-40.21
CC[NH+](CC)C(CNC(=O)NCC(=O)[O-])CC1=CC=CC=C1	REAL300012518918	0	47	0.0	-55.86	350.81	6.48	-49.38
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012518919	0	57	0.0	-65.52	423.24	10.40	-55.12
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012518920	0	57	0.0	-62.77	423.21	10.40	-52.37
CCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518921	0	53	0.0	-67.81	388.15	8.16	-59.65
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300012518922	0	56	0.0	-67.03	403.15	8.69	-58.34
CC[NH+](CC)C(CNC(=O)N(C)CC(=O)[O-])CC1=CC=CC=C1	REAL300012518923	0	50	0.0	-65.42	369.48	9.16	-56.26
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012518924	0	60	0.0	-62.84	445.19	11.40	-51.44
CC[NH+](CC)C(CNC(=O)NC(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012518925	0	50	0.0	-58.32	366.98	7.15	-51.17
CCC(C)C(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518926	0	59	0.0	-67.99	418.56	9.09	-58.90
CC[NH+](CC)C(CNC(=O)N(C)CC(=O)[O-])CC1=CC=CC=C1	REAL300012518927	0	50	0.0	-65.42	369.48	9.16	-56.26
CC[NH+](CC)C(CNC(=O)N1CCCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012518928	0	57	0.0	-75.32	395.43	11.44	-63.88
CCCC(C)(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518929	0	59	0.0	-62.64	419.06	9.47	-53.17
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300012518930	0	56	0.0	-67.09	401.63	10.46	-56.63
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012518931	0	54	0.0	-42.66	387.68	10.48	-32.18
C=CCN(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC	REAL300012518932	0	54	0.0	-44.72	404.17	10.68	-34.04
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(C)C)CC1=CC=CC=C1	REAL300012518933	0	59	0.0	-44.38	427.76	11.15	-33.23
CC[NH+](CC)C(CNC(=O)NC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012518934	0	53	0.0	-56.34	379.72	7.53	-48.81
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012518935	0	57	0.0	-64.45	398.70	9.33	-55.12
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)CC1=CC=CC=C1	REAL300012518936	0	54	0.0	-65.24	412.82	9.36	-55.88
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)CC1=CC=CC=C1	REAL300012518937	0	60	0.0	-64.97	416.57	10.54	-54.43
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300012518938	0	56	0.0	-67.09	401.63	10.46	-56.63
CCCN(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC	REAL300012518939	0	56	0.0	-44.95	412.86	10.87	-34.08
CCN(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC	REAL300012518940	0	53	0.0	-68.15	379.07	10.43	-57.72
CC[C@H](C)[C@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518941	0	59	0.0	-67.74	416.29	9.17	-58.57
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300012518942	0	57	0.0	-65.19	401.49	9.40	-55.79
CC[NH+](CC)C(CNC(=O)NC(C)(CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012518943	0	56	0.0	-62.51	397.56	8.71	-53.80
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012518944	0	60	0.0	-68.15	427.53	11.43	-56.72
CC[NH+](CC)C(CNC(=O)N[C@@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012518945	0	50	0.0	-53.86	365.06	7.32	-46.54
CCN(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC	REAL300012518946	0	53	0.0	-68.15	379.07	10.43	-57.72
CC[NH+](CC)C(CNC(=O)N[C@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012518947	0	50	0.0	-55.91	363.54	7.15	-48.76
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300012518948	0	51	0.0	-71.73	369.38	8.40	-63.33
CC[NH+](CC)C(CNC(=O)N1CCOCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012518949	0	55	0.0	-71.94	386.88	8.71	-63.23
CC[NH+](CC)C(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)CC1=CC=CC=C1	REAL300012518950	0	63	0.0	-71.04	420.68	11.69	-59.35
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012518951	0	54	0.0	-64.65	391.43	8.70	-55.95
CC[NH+](CC)C(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012518952	0	60	0.0	-61.99	427.53	12.80	-49.19
CC[NH+](CC)C(CNC(=O)N(CCOC)CC(=O)[O-])CC1=CC=CC=C1	REAL300012518953	0	57	0.0	-45.39	422.89	9.27	-36.12
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012518954	0	54	0.0	-68.54	385.34	9.58	-58.96
CC[NH+](CC)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012518955	0	57	0.0	-50.82	402.24	10.24	-40.58
CC[NH+](CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012518956	0	53	0.0	-62.59	374.31	9.29	-53.30
CC[NH+](CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012518957	0	54	0.0	-72.31	386.18	10.63	-61.68
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC1)CC1=CC=CC=C1	REAL300012518958	0	54	0.0	-66.36	388.30	9.02	-57.34
C=CCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518959	0	54	0.0	-67.72	402.29	8.59	-59.13
CC[NH+](CC)C(CNC(=O)N1CCCC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012518960	0	57	0.0	-75.31	398.89	11.20	-64.11
CC[NH+](CC)C(CNC(=O)N1CCCCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012518961	0	60	0.0	-74.55	409.55	11.52	-63.03
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012518962	0	54	0.0	-64.65	391.43	8.70	-55.95
CC[NH+](CC)C(CNC(=O)N(C)C(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012518963	0	53	0.0	-61.21	383.69	9.34	-51.87
CCCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518964	0	59	0.0	-68.47	431.98	9.69	-58.78
CC[NH+](CC)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012518965	0	57	0.0	-71.31	398.88	11.20	-60.11
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300012518966	0	60	0.0	-42.19	419.76	11.29	-30.90
CC[NH+](CC)C(CNC(=O)NC(COC)C(=O)[O-])CC1=CC=CC=C1	REAL300012518967	0	54	0.0	-69.70	400.84	6.38	-63.32
CCCCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518968	0	62	0.0	-67.80	452.64	10.49	-57.31
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)CC1=CC=CC=C1	REAL300012518969	0	61	0.0	-48.57	426.17	9.97	-38.60
CC[NH+](CC)C(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300012518970	0	60	0.0	-70.75	409.41	11.27	-59.48
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CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)CC1=CC=CC=C1	REAL300012518975	0	58	0.0	-67.16	412.25	10.08	-57.08
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CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300012518982	0	58	0.0	-70.45	406.00	7.92	-62.53
C=CCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012518983	0	57	0.0	-68.02	423.29	9.47	-58.55
CC[NH+](CC)C(CNC(=O)NC(CF)C(=O)[O-])CC1=CC=CC=C1	REAL300012518984	0	50	0.0	-55.51	370.77	7.14	-48.37
CC[NH+](CC)C(CNC(=O)N(C)C(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012518985	0	53	0.0	-61.21	383.69	9.34	-51.87
CC[NH+](CC)C(CNC(=O)NC(CC)(CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012518986	0	59	0.0	-63.65	414.23	9.60	-54.05
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CC[NH+](CC)C(CNC(=O)NC(CC)(COC)C(=O)[O-])CC1=CC=CC=C1	REAL300012518988	0	60	0.0	-68.43	432.48	8.90	-59.53
CC[NH+](CC)C(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012518989	0	63	0.0	-62.97	458.07	10.62	-52.35
CC[NH+](CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012518990	0	57	0.0	-66.13	415.85	9.78	-56.35
CC[NH+](CC)C(CNC(=O)NC(CCOC)C(=O)[O-])CC1=CC=CC=C1	REAL300012518991	0	57	0.0	-69.02	422.65	7.21	-61.81
CC[NH+](CC)C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012518992	0	62	0.0	-61.72	440.03	11.91	-49.81
CC[NH+](CC)C(CNC(=O)NC(CC(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300012518993	0	53	0.0	-63.40	399.60	8.68	-54.72
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC	REAL300012518994	0	63	0.0	-71.02	434.41	12.71	-58.31
CCCN(C(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012518995	0	59	0.0	-51.23	422.86	10.99	-40.24
CC[NH+](CC)C(CNC(=O)NC(CCF)C(=O)[O-])CC1=CC=CC=C1	REAL300012518996	0	53	0.0	-67.28	394.73	8.30	-58.98
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)CC1=CC=CC=C1	REAL300012518997	0	61	0.0	-48.57	426.17	9.97	-38.60
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)CC1=CC=CC=C1	REAL300012518998	0	63	0.0	-42.32	437.13	12.00	-30.32
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)CC1=CC=CC=C1	REAL300012518999	0	63	0.0	-69.83	430.38	10.91	-58.92
CC[NH+](CC)C(CNC(=O)NC(C)(CCF)C(=O)[O-])CC1=CC=CC=C1	REAL300012519000	0	56	0.0	-64.89	399.70	8.66	-56.23
CC[NH+](CC)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012519001	0	58	0.0	-70.90	416.58	11.30	-59.60
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012519002	0	54	0.0	-63.75	398.05	10.60	-53.15
CC[NH+](CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012519003	0	53	0.0	-63.76	377.36	9.05	-54.71
CC[NH+](CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)CC1=CC=CC=C1	REAL300012519004	0	55	0.0	-74.94	387.18	10.78	-64.16
CC[NH+](CC)C(CNC(=O)N1CC(OC)CC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012519005	0	61	0.0	-68.94	434.99	9.70	-59.24
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1=CC=CC=C1	REAL300012519006	0	59	0.0	-64.81	416.49	10.19	-54.62
C=C(Cl)CC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012519007	0	54	0.0	-69.27	418.25	9.20	-60.07
C=C(C)CC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012519008	0	57	0.0	-67.90	421.99	9.36	-58.54
CC[NH+](CC)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)CC1=CC=CC=C1	REAL300012519009	0	58	0.0	-76.60	402.51	11.64	-64.96
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012519010	0	54	0.0	-65.02	395.02	10.83	-54.19
CC[NH+](CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012519011	0	54	0.0	-68.77	387.99	11.15	-57.62
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(CC2=CC=CC=C2)[NH+](CC)CC)C1	REAL300012519012	0	55	0.0	-70.03	400.08	10.56	-59.47
CC[NH+](CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012519013	0	59	0.0	-66.42	425.32	9.76	-56.66
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)CC1=CC=CC=C1	REAL300012519014	0	61	0.0	-69.35	431.55	8.11	-61.24
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012519015	0	57	0.0	-62.77	423.21	10.40	-52.37
CC[NH+](CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012519016	0	57	0.0	-66.13	415.85	9.78	-56.35
CC[NH+](CC)C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012519017	0	65	0.0	-67.93	470.20	10.99	-56.94
CC[NH+](CC)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])CC1=CC=CC=C1	REAL300012519018	0	61	0.0	-67.13	441.01	8.64	-58.49
CC[NH+](CC)C(CNC(=O)NC(CSC)C(=O)[O-])CC1=CC=CC=C1	REAL300012519019	0	54	0.0	-64.97	412.45	8.56	-56.41
CC[NH+](CC)C(CNC(=O)N[C@@H](COC)C(=O)[O-])CC1=CC=CC=C1	REAL300012519020	0	54	0.0	-68.02	396.91	6.44	-61.58
CC[C@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012519021	0	53	0.0	-66.28	384.24	8.23	-58.05
CCC(C)CC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012519022	0	62	0.0	-68.30	445.07	10.12	-58.18
C=CCCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012519023	0	60	0.0	-67.85	444.79	10.25	-57.60
CC[NH+](CC)C(CNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012519024	0	55	0.0	-72.46	395.18	11.19	-61.27
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012519025	0	60	0.0	-68.15	427.53	11.43	-56.72
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012519026	0	54	0.0	-68.54	385.34	9.58	-58.96
CCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012519027	0	56	0.0	-67.85	409.64	8.92	-58.93
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300012519028	0	56	0.0	-63.67	402.10	8.78	-54.89
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])CC1=CC=CC=C1	REAL300012519029	0	58	0.0	-78.69	406.91	11.48	-67.21
CCN(C(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(C)(C)C(=O)[O-]	REAL300012519030	0	59	0.0	-67.47	417.04	11.20	-56.27
CCCN(C(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012519031	0	59	0.0	-51.23	422.86	10.99	-40.24
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1=CC=CC=C1	REAL300012519032	0	53	0.0	-62.77	399.89	10.18	-52.59
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1=CC=CC=C1	REAL300012519033	0	53	0.0	-62.77	399.89	10.18	-52.59
CC[NH+](CC)C(CNC(=O)N(C)C(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012519034	0	56	0.0	-68.72	398.03	10.20	-58.52
CC[NH+](CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012519035	0	54	0.0	-72.31	386.18	10.63	-61.68
CC[NH+](CC)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012519036	0	55	0.0	-75.24	404.95	6.31	-68.93
CCC[C@@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012519037	0	56	0.0	-62.82	406.31	9.03	-53.79
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012519038	0	57	0.0	-65.52	423.24	10.40	-55.12
C=CCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012519039	0	57	0.0	-68.02	423.29	9.47	-58.55
CC[NH+](CC)C(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300012519040	0	58	0.0	-65.66	406.21	9.42	-56.24
CC[NH+](CC)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012519041	0	57	0.0	-68.67	401.70	10.72	-57.95
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300012519042	0	56	0.0	-67.26	402.09	8.79	-58.47
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012519043	0	57	0.0	-62.79	423.19	10.39	-52.40
CC[NH+](CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012519044	0	53	0.0	-63.76	377.36	9.05	-54.71
CCC[C@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012519045	0	56	0.0	-66.19	405.72	8.98	-57.21
CCN(C(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012519046	0	56	0.0	-62.38	401.86	10.36	-52.02
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300012519047	0	60	0.0	-42.19	419.76	11.29	-30.90
CC[NH+](CC)C(CNC(=O)N(C)CC(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012519048	0	56	0.0	-68.70	404.24	9.73	-58.97
CC[C@H](C)[C@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012519049	0	59	0.0	-67.74	416.29	9.17	-58.57
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC	REAL300012519050	0	56	0.0	-57.68	395.69	10.41	-47.27
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)CC1=CC=CC=C1	REAL300012519051	0	58	0.0	-71.04	418.73	6.22	-64.82
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)CC1=CC=CC=C1	REAL300012519052	0	60	0.0	-69.25	423.13	10.06	-59.19
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)CC1=CC=CC=C1	REAL300012519053	0	63	0.0	-67.56	428.99	10.55	-57.01
CC[NH+](CC)C(CNC(=O)NC(CCOC)C(=O)[O-])CC1=CC=CC=C1	REAL300012519054	0	57	0.0	-69.02	422.65	7.21	-61.81
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)CC1=CC=CC=C1	REAL300012519055	0	60	0.0	-68.92	422.61	10.62	-58.30
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)CC1=CC=CC=C1	REAL300012519056	0	57	0.0	-67.09	408.52	9.67	-57.42
CC[NH+](CC)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012519057	0	55	0.0	-74.84	394.99	6.82	-68.02
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)CC1=CC=CC=C1	REAL300012519058	0	58	0.0	-60.38	421.60	7.46	-52.92
CC[NH+](CC)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])CC1=CC=CC=C1	REAL300012519059	0	58	0.0	-75.27	414.09	11.43	-63.84
CC[NH+](CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)CC1=CC=CC=C1	REAL300012519060	0	56	0.0	-72.88	400.26	8.58	-64.30
CC[NH+](CC)C(CNC(=O)N1CC(C)CCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012519061	0	60	0.0	-74.75	416.27	12.02	-62.73
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)CC1=CC=CC=C1	REAL300012519062	0	57	0.0	-63.36	404.73	9.17	-54.19
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)CC1=CC=CC=C1	REAL300012519063	0	63	0.0	-63.57	441.38	10.53	-53.04
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)CC1=CC=CC=C1	REAL300012519064	0	57	0.0	-63.36	404.73	9.17	-54.19
CC[NH+](CC)C(CNC(=O)N1CCC(C)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012519065	0	57	0.0	-69.08	400.74	10.05	-59.03
C=CCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012519066	0	54	0.0	-67.72	402.29	8.59	-59.13
CC[NH+](CC)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012519067	0	58	0.0	-48.38	405.78	11.40	-36.98
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(OC)C1)CC1=CC=CC=C1	REAL300012519068	0	58	0.0	-72.63	421.65	8.01	-64.62
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)CC1=CC=CC=C1	REAL300012519069	0	54	0.0	-67.07	394.61	8.95	-58.12
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)CC1=CC=CC=C1	REAL300012519070	0	58	0.0	-66.45	426.30	7.91	-58.54
CC[NH+](CC)C(CNC(=O)N1CCCC1(CC)C(=O)[O-])CC1=CC=CC=C1	REAL300012519071	0	60	0.0	-70.78	408.58	11.16	-59.62
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CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300012519093	0	60	0.0	-62.67	423.53	9.81	-52.86
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1=CC=CC=C1	REAL300012519094	0	57	0.0	-61.58	416.57	7.55	-54.03
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CC[NH+](CC)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012519101	0	61	0.0	-78.17	419.44	11.64	-66.53
CC[NH+](CC)C(CNC(=O)NC(CCCOC)C(=O)[O-])CC1=CC=CC=C1	REAL300012519102	0	60	0.0	-66.65	443.32	8.00	-58.65
CCCC(C(=O)[O-])N(C)C(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC	REAL300012519103	0	59	0.0	-61.79	425.63	11.25	-50.54
CCOCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012519104	0	57	0.0	-69.62	422.20	7.35	-62.27
CC[NH+](CC)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012519105	0	62	0.0	-63.90	439.63	10.48	-53.42
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)CC1=CC=CC=C1	REAL300012519106	0	61	0.0	-69.88	436.29	8.75	-61.13
CC[NH+](CC)C(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012519107	0	58	0.0	-71.67	406.11	9.42	-62.25
CC[NH+](CC)C(CNC(=O)NC(CCC#N)C(=O)[O-])CC1=CC=CC=C1	REAL300012519108	0	54	0.0	-70.48	409.00	8.66	-61.82
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)CC1=CC=CC=C1	REAL300012519109	0	57	0.0	-47.42	422.29	10.69	-36.73
CC[NH+](CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1=CC=CC=C1	REAL300012519110	0	53	0.0	-62.59	374.31	9.29	-53.30
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(CC2=CC=CC=C2)[NH+](CC)CC)C1	REAL300012519111	0	61	0.0	-68.77	438.63	10.33	-58.44
CC(C)C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519112	0	57	0.0	-69.94	418.31	9.52	-60.42
CC(C)C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519112	1	57	0.0	-68.50	417.16	9.72	-58.78
C=CCOCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519113	0	56	0.0	-70.67	426.27	8.03	-62.64
C=CCOCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519113	1	56	0.0	-67.99	425.91	8.16	-59.83
C=CC(C)C(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519114	0	55	0.0	-67.41	408.52	9.33	-58.08
C=CC(C)C(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519114	1	55	0.0	-66.92	409.44	9.49	-57.43
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519115	0	59	0.0	-72.64	424.15	8.02	-64.62
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519115	1	59	0.0	-69.27	423.35	8.19	-61.08
COC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)C(C(=O)[O-])C1	REAL300012519116	0	59	0.0	-80.88	420.63	10.46	-70.42
COC1CCN(C(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)C(C(=O)[O-])C1	REAL300012519116	1	59	0.0	-77.40	419.67	10.35	-67.05
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519117	0	59	0.0	-67.42	427.64	8.34	-59.08
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519117	1	59	0.0	-66.34	422.98	8.14	-58.20
CC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)C(C(=O)[O-])C1	REAL300012519118	0	58	0.0	-79.95	404.12	11.71	-68.24
CC1CCN(C(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)C(C(=O)[O-])C1	REAL300012519118	1	58	0.0	-77.12	403.82	11.81	-65.31
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519119	0	54	0.0	-52.95	399.15	10.77	-42.18
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519119	1	54	0.0	-53.25	395.69	10.67	-42.58
CC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C1CCC1	REAL300012519120	0	58	0.0	-52.49	411.77	11.11	-41.38
CC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C1CCC1	REAL300012519120	1	58	0.0	-42.46	405.25	12.06	-30.40
CCCN(C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(COC)C(=O)[O-]	REAL300012519121	0	61	0.0	-71.05	441.56	11.71	-59.34
CCCN(C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(COC)C(=O)[O-]	REAL300012519121	1	61	0.0	-65.86	437.22	10.58	-55.28
CCCN(C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(CC)C(=O)[O-]	REAL300012519122	0	60	0.0	-66.52	425.36	11.65	-54.87
CCCN(C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(CC)C(=O)[O-]	REAL300012519122	1	60	0.0	-42.86	427.81	12.89	-29.97
CC(C)C(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519123	0	54	0.0	-68.39	391.10	8.64	-59.75
CC(C)C(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519123	1	54	0.0	-69.16	396.47	8.91	-60.25
CC(C)(CNC(=O)N1CCCCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519124	0	55	0.0	-79.57	390.09	11.36	-68.21
CC(C)(CNC(=O)N1CCCCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519124	1	55	0.0	-77.12	389.64	11.55	-65.57
CC(C)(CNC(=O)N1CCSCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519125	0	53	0.0	-77.72	389.53	11.34	-66.38
CC(C)(CNC(=O)N1CCSCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519125	1	53	0.0	-75.65	389.72	11.48	-64.17
CC(C)(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519126	0	58	0.0	-72.59	409.24	10.43	-62.16
CC(C)(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519126	1	58	0.0	-68.96	408.88	10.52	-58.44
CC(C)(CNC(=O)N1CCCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519127	0	52	0.0	-76.07	378.48	10.12	-65.95
CC(C)(CNC(=O)N1CCCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519127	1	52	0.0	-74.77	378.01	10.22	-64.55
CC(C)(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519128	0	55	0.0	-72.52	394.73	9.33	-63.19
CC(C)(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519128	1	55	0.0	-70.34	393.86	9.43	-60.91
CC(C)(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519129	0	61	0.0	-73.53	414.84	11.11	-62.42
CC(C)(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519129	1	61	0.0	-70.96	414.65	11.22	-59.74
CC(C)(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519130	0	58	0.0	-70.42	437.19	11.26	-59.16
CC(C)(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519130	1	58	0.0	-68.59	437.85	11.35	-57.24
CC(C)(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519131	0	58	0.0	-52.55	436.59	13.04	-39.51
CC(C)(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519131	1	58	0.0	-52.06	432.81	12.85	-39.21
CC(C)(CNC(=O)NCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519132	0	45	0.0	-59.40	337.04	6.38	-53.02
CC(C)(CNC(=O)NCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519132	1	45	0.0	-58.45	336.81	6.47	-51.98
CC(C)(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519133	0	55	0.0	-69.53	415.59	10.39	-59.14
CC(C)(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519133	1	55	0.0	-67.65	415.61	10.40	-57.25
CC(C)(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519134	0	55	0.0	-69.43	415.59	10.39	-59.04
CC(C)(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519134	1	55	0.0	-67.14	415.36	10.48	-56.66
CCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519135	0	51	0.0	-69.72	379.72	8.21	-61.51
CCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519135	1	51	0.0	-66.85	379.43	8.33	-58.52
CC(C)C(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519136	0	54	0.0	-68.39	391.10	8.64	-59.75
CC(C)C(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519136	1	54	0.0	-69.16	396.47	8.91	-60.25
CN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519137	0	48	0.0	-69.23	355.78	9.05	-60.18
CN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519137	1	48	0.0	-66.47	355.28	9.15	-57.32
CC(C)(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519138	0	58	0.0	-70.42	437.19	11.26	-59.16
CC(C)(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519138	1	58	0.0	-68.59	437.85	11.35	-57.24
CC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519139	0	48	0.0	-60.22	357.89	7.19	-53.03
CC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519139	1	48	0.0	-58.67	357.60	7.31	-51.36
CCC(C)C(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519140	0	57	0.0	-68.45	412.78	9.47	-58.98
CCC(C)C(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519140	1	57	0.0	-66.15	412.54	9.57	-56.58
CN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519141	0	48	0.0	-69.23	355.78	9.05	-60.18
CN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519141	1	48	0.0	-66.47	355.28	9.15	-57.32
CC(C)(CNC(=O)N1CCCCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519142	0	55	0.0	-79.57	390.09	11.36	-68.21
CC(C)(CNC(=O)N1CCCCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519142	1	55	0.0	-77.12	389.64	11.55	-65.57
CCCC(C)(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519143	0	57	0.0	-69.21	405.30	9.37	-59.84
CCCC(C)(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519143	1	57	0.0	-65.91	405.06	9.46	-56.45
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519144	0	54	0.0	-51.21	387.85	10.28	-40.93
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519144	1	54	0.0	-69.40	383.49	11.12	-58.28
CC(C)(CNC(=O)N(CC(=O)[O-])C1CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519145	0	52	0.0	-51.96	381.00	10.42	-41.54
CC(C)(CNC(=O)N(CC(=O)[O-])C1CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519145	1	52	0.0	-51.21	380.96	10.61	-40.60
C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519146	0	52	0.0	-52.39	385.49	10.38	-42.01
C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519146	1	52	0.0	-52.91	388.28	10.50	-42.41
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519147	0	57	0.0	-52.35	413.57	11.08	-41.27
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519147	1	57	0.0	-52.17	413.27	11.20	-40.97
CC(C)(CNC(=O)NC(C)(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519148	0	51	0.0	-58.53	370.40	7.61	-50.92
CC(C)(CNC(=O)NC(C)(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519148	1	51	0.0	-57.62	370.18	7.71	-49.91
CC(C)(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519149	0	55	0.0	-69.96	393.24	9.37	-60.59
CC(C)(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519149	1	55	0.0	-68.99	393.01	9.45	-59.54
CC(C)(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519150	0	52	0.0	-67.98	407.44	9.40	-58.58
CC(C)(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519150	1	52	0.0	-65.24	406.96	9.56	-55.68
CC(C)(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519151	0	58	0.0	-72.59	409.24	10.43	-62.16
CC(C)(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519151	1	58	0.0	-68.96	408.88	10.52	-58.44
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519152	0	54	0.0	-51.21	387.85	10.28	-40.93
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519152	1	54	0.0	-69.40	383.49	11.12	-58.28
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519153	0	54	0.0	-52.95	399.15	10.77	-42.18
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519153	1	54	0.0	-53.25	395.69	10.67	-42.58
CCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519154	0	51	0.0	-70.35	372.38	9.82	-60.53
CCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519154	1	51	0.0	-66.52	377.36	10.14	-56.38
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519155	0	57	0.0	-69.14	409.25	9.17	-59.97
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519155	1	57	0.0	-68.17	409.01	9.26	-58.91
CC(C)(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519156	0	55	0.0	-72.52	394.73	9.33	-63.19
CC(C)(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519156	1	55	0.0	-70.34	393.86	9.43	-60.91
CCC(C)(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519157	0	54	0.0	-68.26	383.81	8.60	-59.66
CCC(C)(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519157	1	54	0.0	-67.99	383.56	8.70	-59.29
CC(C)(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519158	0	58	0.0	-70.83	423.83	11.12	-59.71
CC(C)(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519158	1	58	0.0	-69.63	423.34	11.18	-58.45
C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519159	0	48	0.0	-60.04	357.67	7.24	-52.80
C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519159	1	48	0.0	-59.43	357.60	7.31	-52.12
CCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519160	0	51	0.0	-70.35	372.38	9.82	-60.53
CCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519160	1	51	0.0	-66.52	377.36	10.14	-56.38
C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519161	0	48	0.0	-59.81	357.83	7.21	-52.60
C[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519161	1	48	0.0	-59.18	357.91	7.27	-51.91
CC(C)(CNC(=O)NC1(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519162	0	49	0.0	-74.48	364.01	8.43	-66.05
CC(C)(CNC(=O)NC1(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519162	1	49	0.0	-72.17	363.73	8.54	-63.63
CC(C)(CNC(=O)N1CCOCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519163	0	53	0.0	-76.82	381.02	8.85	-67.97
CC(C)(CNC(=O)N1CCOCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519163	1	53	0.0	-73.72	380.19	8.85	-64.87
CN(C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C1(C(=O)[O-])CCCCC1	REAL300012519164	0	61	0.0	-75.79	418.58	11.77	-64.02
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CC(C)(CNC(=O)NC(C(=O)[O-])C1CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519165	0	52	0.0	-68.50	386.58	8.72	-59.78
CC(C)(CNC(=O)NC(C(=O)[O-])C1CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519165	1	52	0.0	-67.95	385.81	8.83	-59.12
CN(C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012519166	0	58	0.0	-75.03	426.30	11.83	-63.20
CN(C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012519166	1	58	0.0	-65.48	423.04	12.07	-53.41
COCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519167	0	55	0.0	-50.87	408.97	9.56	-41.31
COCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519167	1	55	0.0	-53.14	408.73	9.32	-43.82
CC(C)(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519168	0	52	0.0	-75.89	379.22	9.81	-66.08
CC(C)(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519168	1	52	0.0	-73.09	378.97	9.92	-63.17
CC(C)(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519169	0	55	0.0	-78.37	389.14	11.18	-67.19
CC(C)(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519169	1	55	0.0	-75.54	389.07	11.25	-64.29
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519170	0	51	0.0	-65.19	370.24	9.17	-56.02
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519170	1	51	0.0	-63.31	369.94	9.28	-54.03
CC(C)(CNC(=O)N1CCC[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519171	0	52	0.0	-76.07	378.49	10.11	-65.96
CC(C)(CNC(=O)N1CCC[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519171	1	52	0.0	-75.30	378.79	9.92	-65.38
CC(C)(CNC(=O)NC1(C(=O)[O-])CCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519172	0	52	0.0	-73.69	380.80	8.94	-64.75
CC(C)(CNC(=O)NC1(C(=O)[O-])CCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519172	1	52	0.0	-73.28	380.64	9.03	-64.25
C=CCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519173	0	52	0.0	-68.46	392.72	8.74	-59.72
C=CCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519173	1	52	0.0	-65.83	392.47	8.85	-56.98
CC(C)(CNC(=O)N1CCCC1(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519174	0	55	0.0	-75.10	395.55	10.68	-64.42
CC(C)(CNC(=O)N1CCCC1(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519174	1	55	0.0	-74.89	395.30	10.77	-64.12
CC(C)(CNC(=O)N1CCCCCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519175	0	58	0.0	-75.89	404.48	11.98	-63.91
CC(C)(CNC(=O)N1CCCCCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519175	1	58	0.0	-74.14	401.93	11.76	-62.38
CC(C)(CNC(=O)NC(C(=O)[O-])C1CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519176	0	52	0.0	-68.50	386.58	8.72	-59.78
CC(C)(CNC(=O)NC(C(=O)[O-])C1CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519176	1	52	0.0	-67.95	385.81	8.83	-59.12
CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519177	0	51	0.0	-65.17	370.75	9.27	-55.90
CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519177	1	51	0.0	-63.37	370.30	9.37	-54.00
CCCCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519178	0	57	0.0	-69.01	422.66	9.78	-59.23
CCCCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519178	1	57	0.0	-68.27	422.18	9.94	-58.33
CC(C)(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519179	0	55	0.0	-75.94	395.61	10.67	-65.27
CC(C)(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519179	1	55	0.0	-74.98	395.09	10.75	-64.23
CC(C)(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519180	0	58	0.0	-52.09	414.01	11.59	-40.50
CC(C)(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519180	1	58	0.0	-51.90	413.71	11.71	-40.19
COCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519181	0	52	0.0	-70.11	391.52	6.48	-63.63
COCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519181	1	52	0.0	-67.90	391.28	6.57	-61.33
CCCCCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519182	0	60	0.0	-68.97	444.16	10.56	-58.41
CCCCCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519182	1	60	0.0	-68.66	443.92	10.65	-58.01
CC(C)(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519183	0	59	0.0	-49.55	422.40	9.94	-39.61
CC(C)(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519183	1	59	0.0	-52.51	422.18	10.04	-42.47
CN(C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C1(C(=O)[O-])CCCC1	REAL300012519184	0	58	0.0	-76.24	405.16	11.00	-65.24
CN(C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C1(C(=O)[O-])CCCC1	REAL300012519184	1	58	0.0	-75.34	404.68	11.16	-64.18
CC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C1CC1	REAL300012519185	0	55	0.0	-56.65	395.75	10.69	-45.96
CC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C1CC1	REAL300012519185	1	55	0.0	-56.08	396.72	10.75	-45.33
CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C1CC1	REAL300012519186	0	58	0.0	-54.62	416.30	11.80	-42.82
CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C1CC1	REAL300012519186	1	58	0.0	-57.20	416.66	11.77	-45.43
CC(C)(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519187	0	55	0.0	-75.56	420.27	10.39	-65.17
CC(C)(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519187	1	55	0.0	-73.95	419.19	10.49	-63.46
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CC1=CC=C(C(NC(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300012519188	1	58	0.0	-67.17	436.75	11.16	-56.01
CC(C)(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519189	0	51	0.0	-64.02	395.66	8.90	-55.12
CC(C)(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519189	1	51	0.0	-61.27	395.36	9.01	-52.26
CC(C)(CNC(=O)NC1(C(=O)[O-])CCSCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519190	0	56	0.0	-70.12	406.87	10.13	-59.99
CC(C)(CNC(=O)NC1(C(=O)[O-])CCSCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519190	1	56	0.0	-65.54	406.57	10.22	-55.32
COCC(C)(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519191	0	55	0.0	-72.84	402.05	7.88	-64.96
COCC(C)(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519191	1	55	0.0	-72.48	401.81	7.99	-64.49
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519192	0	58	0.0	-67.14	422.64	9.62	-57.52
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519192	1	58	0.0	-64.59	421.69	9.72	-54.87
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519193	0	57	0.0	-52.35	413.57	11.08	-41.27
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519193	1	57	0.0	-52.17	413.27	11.20	-40.97
CC(C)(CNC(=O)N(CC(=O)[O-])C1CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519194	0	52	0.0	-51.96	381.00	10.42	-41.54
CC(C)(CNC(=O)N(CC(=O)[O-])C1CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519194	1	52	0.0	-51.21	380.96	10.61	-40.60
CC(C)(CNC(=O)NC1(C(=O)[O-])CCOC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519195	0	53	0.0	-68.89	385.29	6.71	-62.18
CC(C)(CNC(=O)NC1(C(=O)[O-])CCOC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519195	1	53	0.0	-67.81	385.13	6.79	-61.02
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519196	0	61	0.0	-71.07	433.40	10.44	-60.63
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519196	1	61	0.0	-68.67	433.18	10.53	-58.14
CC(C)(CNC(=O)NC1(C(=O)[O-])CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519197	0	56	0.0	-73.23	400.66	7.95	-65.28
CC(C)(CNC(=O)NC1(C(=O)[O-])CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519197	1	56	0.0	-69.66	400.34	8.05	-61.61
C=CCCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519198	0	55	0.0	-68.24	413.74	9.62	-58.62
C=CCCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519198	1	55	0.0	-68.32	413.74	9.66	-58.66
CC(C)(CNC(=O)NC(CF)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519199	0	48	0.0	-57.50	361.45	7.22	-50.28
CC(C)(CNC(=O)NC(CF)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519199	1	48	0.0	-56.43	361.02	7.34	-49.09
CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519200	0	51	0.0	-65.17	370.75	9.27	-55.90
CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519200	1	51	0.0	-63.37	370.30	9.37	-54.00
CCC(CC)(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519201	0	57	0.0	-70.37	400.47	9.50	-60.87
CCC(CC)(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519201	1	57	0.0	-66.91	399.95	9.59	-57.32
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519202	0	57	0.0	-49.15	408.31	11.36	-37.79
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519202	1	57	0.0	-51.95	408.09	11.47	-40.48
CCC(COC)(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519203	0	58	0.0	-75.08	418.73	8.79	-66.29
CCC(COC)(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519203	1	58	0.0	-71.69	418.25	8.90	-62.79
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519204	0	61	0.0	-67.39	442.31	10.29	-57.10
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519204	1	61	0.0	-65.14	441.93	10.37	-54.77
CC(C)(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519205	0	55	0.0	-69.60	411.78	9.66	-59.94
CC(C)(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519205	1	55	0.0	-68.66	411.04	9.88	-58.78
COCCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519206	0	55	0.0	-68.79	413.10	7.36	-61.43
COCCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519206	1	55	0.0	-69.26	413.10	7.40	-61.86
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519207	0	60	0.0	-66.34	428.48	11.60	-54.74
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519207	1	60	0.0	-63.75	428.60	11.76	-51.99
CC(C)(CNC(=O)NC(CC(F)F)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519208	0	51	0.0	-63.48	390.04	8.82	-54.66
CC(C)(CNC(=O)NC(CC(F)F)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519208	1	51	0.0	-63.46	389.81	8.91	-54.55
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519209	0	61	0.0	-76.78	430.53	12.35	-64.43
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519209	1	61	0.0	-73.11	432.60	12.66	-60.45
CCCN(C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012519210	0	57	0.0	-68.52	409.34	10.92	-57.60
CCCN(C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012519210	1	57	0.0	-63.83	409.03	10.95	-52.88
CC(C)(CNC(=O)NC(CCF)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519211	0	51	0.0	-68.14	386.25	8.37	-59.77
CC(C)(CNC(=O)NC(CCF)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519211	1	51	0.0	-68.23	386.02	8.47	-59.76
CC(C)(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519212	0	59	0.0	-49.55	422.40	9.94	-39.61
CC(C)(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519212	1	59	0.0	-52.51	422.18	10.04	-42.47
CC(C)(CNC(=O)N(CC(=O)[O-])C1CCCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519213	0	61	0.0	-49.25	431.31	12.31	-36.94
CC(C)(CNC(=O)N(CC(=O)[O-])C1CCCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519213	1	61	0.0	-52.94	432.08	12.32	-40.62
C[C@H]1CC[C@@](NC(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])CC1	REAL300012519214	0	61	0.0	-73.71	423.05	10.80	-62.91
C[C@H]1CC[C@@](NC(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])CC1	REAL300012519214	1	61	0.0	-72.94	422.75	10.91	-62.03
CC(C)(CNC(=O)NC(C)(CCF)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519215	0	54	0.0	-66.33	390.46	8.72	-57.61
CC(C)(CNC(=O)NC(C)(CCF)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519215	1	54	0.0	-65.39	390.17	8.83	-56.56
CC(C)(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519216	0	56	0.0	-55.81	412.65	10.78	-45.03
CC(C)(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519216	1	56	0.0	-54.37	412.35	10.89	-43.48
CC(C)(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519217	0	52	0.0	-69.69	392.18	9.99	-59.70
CC(C)(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519217	1	52	0.0	-67.35	391.94	10.09	-57.26
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519218	0	51	0.0	-66.20	369.62	9.22	-56.98
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519218	1	51	0.0	-65.26	369.52	9.39	-55.87
CC(C)(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519219	0	53	0.0	-81.81	385.96	10.79	-71.02
CC(C)(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519219	1	53	0.0	-79.70	385.58	10.88	-68.82
COC1CN(C(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)C(C)(C(=O)[O-])C1	REAL300012519220	0	59	0.0	-75.42	428.77	9.66	-65.76
COC1CN(C(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)C(C)(C(=O)[O-])C1	REAL300012519220	1	59	0.0	-72.69	428.50	9.76	-62.93
CC(C)(C)[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519221	0	57	0.0	-69.46	408.84	9.35	-60.11
CC(C)(C)[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519221	1	57	0.0	-70.02	410.22	9.44	-60.58
C=C(Cl)CC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519222	0	52	0.0	-64.65	408.12	9.35	-55.30
C=C(Cl)CC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519222	1	52	0.0	-61.86	407.66	9.51	-52.35
C=C(C)CC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519223	0	55	0.0	-69.85	412.81	9.54	-60.31
C=C(C)CC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519223	1	55	0.0	-68.15	412.49	9.56	-58.59
CC(C)(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519224	0	56	0.0	-84.48	400.36	11.59	-72.89
CC(C)(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519224	1	56	0.0	-79.31	398.30	11.71	-67.60
CC(C)(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519225	0	52	0.0	-69.89	391.45	10.31	-59.58
CC(C)(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519225	1	52	0.0	-68.68	391.17	10.40	-58.28
CC(C)(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519226	0	52	0.0	-73.97	384.92	10.24	-63.73
CC(C)(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519226	1	52	0.0	-73.47	385.49	10.02	-63.45
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300012519227	0	53	0.0	-76.43	392.70	10.18	-66.25
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300012519227	1	53	0.0	-75.04	392.41	10.30	-64.74
CC(C)C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519228	0	57	0.0	-69.94	418.31	9.52	-60.42
CC(C)C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519228	1	57	0.0	-68.50	417.16	9.72	-58.78
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519229	0	59	0.0	-72.64	424.15	8.02	-64.62
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519229	1	59	0.0	-69.27	423.35	8.19	-61.08
CC(C)(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519230	0	55	0.0	-69.43	415.59	10.39	-59.04
CC(C)(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519230	1	55	0.0	-67.14	415.36	10.48	-56.66
CC(C)(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519231	0	55	0.0	-69.60	411.78	9.66	-59.94
CC(C)(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519231	1	55	0.0	-68.66	411.04	9.88	-58.78
CC(C)CCCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519232	0	63	0.0	-68.98	461.48	11.14	-57.84
CC(C)CCCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519232	1	63	0.0	-68.28	461.25	11.22	-57.06
CC(C)(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519233	0	59	0.0	-73.45	435.79	8.59	-64.86
CC(C)(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519233	1	59	0.0	-65.39	433.32	9.27	-56.12
CSCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519234	0	52	0.0	-66.30	403.35	8.57	-57.73
CSCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519234	1	52	0.0	-64.07	403.13	8.67	-55.40
COC[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519235	0	52	0.0	-70.78	391.52	6.48	-64.30
COC[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519235	1	52	0.0	-69.32	390.80	6.55	-62.77
CC[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519236	0	51	0.0	-69.69	379.66	8.24	-61.45
CC[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519236	1	51	0.0	-68.81	379.43	8.34	-60.47
CCC(C)CC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519237	0	60	0.0	-68.75	436.34	10.25	-58.50
CCC(C)CC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519237	1	60	0.0	-69.12	436.36	10.29	-58.83
C=CCCCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519238	0	58	0.0	-68.53	435.23	10.40	-58.13
C=CCCCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519238	1	58	0.0	-67.61	435.00	10.50	-57.11
CC(C)(CNC(=O)N1CCSCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519239	0	53	0.0	-77.72	389.53	11.34	-66.38
CC(C)(CNC(=O)N1CCSCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519239	1	53	0.0	-75.65	389.72	11.48	-64.17
CC(C)(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519240	0	58	0.0	-70.83	423.83	11.12	-59.71
CC(C)(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519240	1	58	0.0	-69.63	423.34	11.18	-58.45
CC(C)(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519241	0	52	0.0	-75.89	379.22	9.81	-66.08
CC(C)(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519241	1	52	0.0	-73.09	378.97	9.92	-63.17
CCCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519242	0	54	0.0	-69.63	401.16	8.99	-60.64
CCCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519242	1	54	0.0	-68.27	400.69	9.15	-59.12
CC(C)[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519243	0	54	0.0	-68.05	394.79	8.84	-59.21
CC(C)[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519243	1	54	0.0	-65.76	394.56	8.94	-56.82
CC(C)(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519244	0	56	0.0	-81.56	399.58	11.67	-69.89
CC(C)(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519244	1	56	0.0	-80.60	399.60	11.74	-68.86
CCN(C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(C)(C)C(=O)[O-]	REAL300012519245	0	57	0.0	-72.58	404.30	10.97	-61.61
CCN(C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(C)(C)C(=O)[O-]	REAL300012519245	1	57	0.0	-69.33	403.92	11.11	-58.22
CCCN(C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012519246	0	57	0.0	-68.52	409.34	10.92	-57.60
CCCN(C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012519246	1	57	0.0	-63.83	409.03	10.95	-52.88
CC(C)(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519247	0	51	0.0	-70.76	384.63	10.32	-60.44
CC(C)(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519247	1	51	0.0	-70.04	384.36	10.41	-59.63
CC(C)(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519248	0	51	0.0	-70.76	384.63	10.32	-60.44
CC(C)(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519248	1	51	0.0	-70.04	384.36	10.41	-59.63
CN(C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(C)(C)C(=O)[O-]	REAL300012519249	0	54	0.0	-72.22	384.86	10.11	-62.11
CN(C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(C)(C)C(=O)[O-]	REAL300012519249	1	54	0.0	-69.45	384.60	10.22	-59.23
CC(C)(CNC(=O)N1CCC[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519250	0	52	0.0	-76.07	378.49	10.11	-65.96
CC(C)(CNC(=O)N1CCC[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519250	1	52	0.0	-75.30	378.79	9.92	-65.38
CC(C)(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519251	0	53	0.0	-78.17	390.47	6.43	-71.74
CC(C)(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519251	1	53	0.0	-75.38	390.19	6.53	-68.85
CCC[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519252	0	54	0.0	-68.41	400.91	9.06	-59.35
CCC[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519252	1	54	0.0	-66.74	400.93	9.09	-57.65
CC(C)(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519253	0	55	0.0	-69.53	415.59	10.39	-59.14
CC(C)(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519253	1	55	0.0	-67.65	415.61	10.40	-57.25
C=CCCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519254	0	55	0.0	-68.24	413.74	9.62	-58.62
C=CCCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519254	1	55	0.0	-68.32	413.74	9.66	-58.66
CN1CC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)CC1=O	REAL300012519255	0	56	0.0	-68.94	405.81	9.15	-59.79
CN1CC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)CC1=O	REAL300012519255	1	56	0.0	-68.46	406.52	9.64	-58.82
CC(C)(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519256	0	55	0.0	-75.13	395.55	10.69	-64.44
CC(C)(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519256	1	55	0.0	-72.39	395.26	10.79	-61.60
CC(C)[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519257	0	54	0.0	-69.95	392.35	8.56	-61.39
CC(C)[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519257	1	54	0.0	-67.19	393.61	8.87	-58.32
CC(C)(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519258	0	55	0.0	-69.60	415.19	10.33	-59.27
CC(C)(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519258	1	55	0.0	-69.12	415.56	10.39	-58.73
CC(C)(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519259	0	58	0.0	-69.07	429.38	9.68	-59.39
CC(C)(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519259	1	58	0.0	-67.96	429.45	9.77	-58.19
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519260	0	51	0.0	-66.20	369.62	9.22	-56.98
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519260	1	51	0.0	-65.26	369.52	9.39	-55.87
CCC[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519261	0	54	0.0	-69.61	401.16	9.00	-60.61
CCC[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519261	1	54	0.0	-68.77	400.93	9.10	-59.67
CCN(C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012519262	0	54	0.0	-65.53	386.85	9.96	-55.57
CCN(C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012519262	1	54	0.0	-63.74	386.68	10.07	-53.67
CC(C)(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519263	0	58	0.0	-52.09	414.01	11.59	-40.50
CC(C)(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519263	1	58	0.0	-51.90	413.71	11.71	-40.19
CC(CN(C)C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519264	0	54	0.0	-75.68	391.20	9.94	-65.74
CC(CN(C)C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519264	1	54	0.0	-71.16	390.65	9.82	-61.34
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519265	0	57	0.0	-69.14	409.25	9.17	-59.97
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519265	1	57	0.0	-68.17	409.01	9.26	-58.91
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519266	0	54	0.0	-66.27	391.13	10.36	-55.91
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519266	1	54	0.0	-66.53	389.85	10.31	-56.22
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519267	0	56	0.0	-73.62	412.93	6.24	-67.38
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519267	1	56	0.0	-78.09	410.93	6.23	-71.86
CC1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012519268	0	58	0.0	-73.27	414.95	9.92	-63.35
CC1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012519268	1	58	0.0	-72.68	414.75	10.07	-62.61
CC(C)(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519269	0	61	0.0	-72.62	425.20	10.70	-61.92
CC(C)(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519269	1	61	0.0	-72.54	425.01	10.77	-61.77
COCCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519270	0	55	0.0	-68.79	413.10	7.36	-61.43
COCCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519270	1	55	0.0	-69.26	413.10	7.40	-61.86
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519271	0	58	0.0	-74.32	417.28	10.63	-63.69
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519271	1	58	0.0	-71.83	416.61	10.75	-61.08
CC(C)(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519272	0	55	0.0	-71.41	403.26	9.59	-61.82
CC(C)(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519272	1	55	0.0	-69.24	407.97	9.43	-59.81
CC(C)(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519273	0	53	0.0	-81.55	389.18	6.61	-74.94
CC(C)(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519273	1	53	0.0	-78.47	388.73	6.69	-71.78
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCOC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519274	0	56	0.0	-68.34	412.13	7.29	-61.05
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCOC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519274	1	56	0.0	-68.17	407.37	7.22	-60.95
CC(C)(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519275	0	56	0.0	-80.56	400.60	11.25	-69.31
CC(C)(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519275	1	56	0.0	-79.51	400.34	11.37	-68.14
CC(C)(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519276	0	54	0.0	-77.09	393.04	8.98	-68.11
CC(C)(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519276	1	54	0.0	-74.89	392.37	9.13	-65.76
CC1CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300012519277	0	58	0.0	-80.84	406.08	12.35	-68.49
CC1CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300012519277	1	58	0.0	-75.01	409.61	11.80	-63.21
CC(C)(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519278	0	62	0.0	-68.88	452.13	11.43	-57.45
CC(C)(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519278	1	62	0.0	-68.98	452.12	11.47	-57.51
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519279	0	55	0.0	-70.37	406.57	9.29	-61.08
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519279	1	55	0.0	-69.53	406.18	9.37	-60.16
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519280	0	61	0.0	-71.07	433.40	10.44	-60.63
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519280	1	61	0.0	-68.67	433.18	10.53	-58.14
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519281	0	55	0.0	-70.37	406.57	9.29	-61.08
CC(C)(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519281	1	55	0.0	-69.53	406.18	9.37	-60.16
CC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)C1C(=O)[O-]	REAL300012519282	0	55	0.0	-76.75	399.76	10.41	-66.34
CC1CCN(C(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)C1C(=O)[O-]	REAL300012519282	1	55	0.0	-73.59	394.15	10.37	-63.22
C=CCC(NC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519283	0	52	0.0	-68.46	392.72	8.74	-59.72
C=CCC(NC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519283	1	52	0.0	-65.83	392.47	8.85	-56.98
CC(C)(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519284	0	62	0.0	-39.48	425.96	11.96	-27.52
CC(C)(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519284	1	62	0.0	-43.13	425.35	11.98	-31.15
CC(C)(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519285	0	56	0.0	-42.45	401.40	11.15	-31.30
CC(C)(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519285	1	56	0.0	-46.22	401.22	11.15	-35.07
CC(C)(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519286	0	62	0.0	-68.88	452.13	11.43	-57.45
CC(C)(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519286	1	62	0.0	-68.98	452.12	11.47	-57.51
COC1CC(NC(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012519287	0	56	0.0	-69.33	412.60	7.79	-61.54
COC1CC(NC(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012519287	1	56	0.0	-72.78	413.69	7.99	-64.79
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519288	0	52	0.0	-66.50	393.19	9.24	-57.26
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519288	1	52	0.0	-63.55	392.94	9.33	-54.22
CO[C@H]1C[C@](NC(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012519289	0	56	0.0	-70.57	412.91	8.21	-62.36
CO[C@H]1C[C@](NC(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012519289	1	56	0.0	-68.93	412.16	7.91	-61.02
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519290	0	58	0.0	-78.21	411.58	11.95	-66.26
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519290	1	58	0.0	-77.80	408.58	12.00	-65.80
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CC(C)(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519291	1	51	0.0	-61.27	395.36	9.01	-52.26
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CC(C)(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519298	0	62	0.0	-42.16	440.32	12.11	-30.05
CC(C)(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519298	1	62	0.0	-46.73	440.91	12.16	-34.57
CC(C)(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519299	0	62	0.0	-78.09	436.20	11.89	-66.20
CC(C)(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519299	1	62	0.0	-75.17	435.94	12.03	-63.14
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CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519303	0	55	0.0	-68.44	410.96	9.65	-58.79
CC(C)(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012519303	1	55	0.0	-70.76	410.67	9.79	-60.97
CC(C)(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519305	0	52	0.0	-73.97	384.92	10.24	-63.73
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CC(C)(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519306	0	54	0.0	-47.61	394.20	10.92	-36.69
CC(C)(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519306	1	54	0.0	-49.06	394.02	10.87	-38.19
CC(C)(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519307	0	58	0.0	-77.92	414.55	10.81	-67.11
CC(C)(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519307	1	58	0.0	-75.69	412.84	11.17	-64.52
CC(C)(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519308	0	62	0.0	-50.34	442.32	11.69	-38.65
CC(C)(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012519308	1	62	0.0	-78.92	434.46	12.91	-66.01
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CC(C)(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519310	0	59	0.0	-42.32	425.28	11.61	-30.71
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COC[C@H](NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519494	1	46	0.0	-75.57	366.52	5.40	-70.17
CC[C@H](NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519495	0	45	0.0	-73.62	353.85	7.18	-66.44
CC[C@H](NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519495	1	45	0.0	-74.25	354.78	7.17	-67.08
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519496	0	52	0.0	-73.45	419.28	10.31	-63.14
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519496	1	52	0.0	-74.09	419.62	10.26	-63.83
CCC(C)CC(NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519497	0	54	0.0	-73.92	411.35	9.18	-64.74
CCC(C)CC(NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519497	1	54	0.0	-74.53	411.60	9.13	-65.40
C=CCCCC(NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519498	0	52	0.0	-74.28	410.49	9.28	-65.00
C=CCCCC(NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519498	1	52	0.0	-73.97	410.24	9.33	-64.64
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519499	0	52	0.0	-74.13	419.44	10.24	-63.89
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519499	1	52	0.0	-74.02	419.45	10.25	-63.77
O=C([O-])C1CSCCN1C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519500	0	47	0.0	-80.57	364.26	10.07	-70.50
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CC(NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012519501	0	52	0.0	-75.10	398.63	10.01	-65.09
CC(NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012519501	1	52	0.0	-75.24	398.74	10.03	-65.21
O=C([O-])[C@H]1CCCN1C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519502	0	46	0.0	-80.35	354.18	8.77	-71.58
O=C([O-])[C@H]1CCCN1C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519502	1	46	0.0	-81.42	355.57	8.66	-72.76
CCCC(NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519503	0	48	0.0	-73.68	375.94	7.99	-65.69
CCCC(NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519503	1	48	0.0	-73.89	375.92	7.99	-65.90
CC(C)[C@@H](NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519504	0	48	0.0	-73.27	369.81	7.77	-65.50
CC(C)[C@@H](NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519504	1	48	0.0	-74.69	366.89	7.51	-67.18
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519505	0	50	0.0	-85.85	375.54	10.60	-75.25
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519505	1	50	0.0	-86.19	375.08	10.65	-75.54
CCN(C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(C)(C)C(=O)[O-]	REAL300012519506	0	51	0.0	-76.30	379.32	9.92	-66.38
CCN(C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(C)(C)C(=O)[O-]	REAL300012519506	1	51	0.0	-76.29	379.35	9.95	-66.34
CCCN(C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012519507	0	51	0.0	-47.78	384.17	10.82	-36.96
CCCN(C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012519507	1	51	0.0	-71.59	383.75	9.70	-61.89
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519508	0	45	0.0	-70.02	367.23	9.49	-60.53
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519508	1	45	0.0	-70.07	367.21	9.49	-60.58
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519509	0	45	0.0	-70.02	367.23	9.49	-60.53
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519509	1	45	0.0	-70.07	367.21	9.49	-60.58
CN(C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(C)(C)C(=O)[O-]	REAL300012519510	0	48	0.0	-76.43	359.86	9.06	-67.37
CN(C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(C)(C)C(=O)[O-]	REAL300012519510	1	48	0.0	-76.77	359.80	9.07	-67.70
O=C([O-])[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519511	0	46	0.0	-80.08	353.44	9.08	-71.00
O=C([O-])[C@@H]1CCCN1C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519511	1	46	0.0	-80.25	354.14	8.80	-71.45
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519512	0	58	0.0	-59.45	440.93	7.46	-51.99
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519512	1	58	0.0	-59.13	441.05	7.46	-51.67
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O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519513	1	47	0.0	-82.94	365.43	5.38	-77.56
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519514	0	53	0.0	-53.16	409.26	12.02	-41.14
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519514	1	53	0.0	-52.18	406.87	12.15	-40.03
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC[N@@H+]2CCC3=CC=CC=C3C2)[C@H]1C(=O)[O-]	REAL300012519515	0	56	0.0	-64.87	417.31	12.22	-52.65
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC[N@H+]2CCC3=CC=CC=C3C2)[C@H]1C(=O)[O-]	REAL300012519515	1	56	0.0	-64.75	417.34	12.21	-52.54
CCC[C@@H](NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519516	0	48	0.0	-74.22	376.16	7.92	-66.30
CCC[C@@H](NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519516	1	48	0.0	-74.43	376.17	7.93	-66.50
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O=C([O-])[C@H](NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=CC=C1	REAL300012519518	0	49	0.0	-75.25	390.85	9.23	-66.02
O=C([O-])[C@H](NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C1=CC=CC=C1	REAL300012519518	1	49	0.0	-75.48	390.85	9.23	-66.25
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519519	0	54	0.0	-76.04	430.12	9.21	-66.83
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519519	1	54	0.0	-76.61	430.95	9.19	-67.42
C=CCCC(NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519520	0	49	0.0	-73.55	388.74	8.55	-65.00
C=CCCC(NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519520	1	49	0.0	-73.03	388.14	8.50	-64.53
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519521	0	48	0.0	-76.88	399.43	7.24	-69.64
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519521	1	48	0.0	-71.51	399.87	7.18	-64.33
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519522	1	49	0.0	-91.42	383.93	6.64	-84.78
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519522	1	49	0.0	-90.85	383.95	6.64	-84.21
CN1CC(C(=O)[O-])N(C(=O)NCC[N@@H+]2CCC3=CC=CC=C3C2)CC1=O	REAL300012519523	0	50	0.0	-75.27	381.49	8.36	-66.91
CN1CC(C(=O)[O-])N(C(=O)NCC[N@H+]2CCC3=CC=CC=C3C2)CC1=O	REAL300012519523	1	50	0.0	-75.34	381.50	8.32	-67.02
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519524	0	49	0.0	-79.59	370.53	9.63	-69.96
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519524	1	49	0.0	-79.72	370.52	9.63	-70.09
CC(C)[C@H](NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519525	0	48	0.0	-72.81	368.86	7.70	-65.11
CC(C)[C@H](NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519525	1	48	0.0	-73.07	365.79	7.47	-65.60
O=C([O-])[C@@H](NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=CC=C1	REAL300012519526	0	49	0.0	-75.49	390.82	9.24	-66.25
O=C([O-])[C@@H](NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C1=CC=CC=C1	REAL300012519526	1	49	0.0	-75.30	390.91	9.24	-66.06
CC(CN1C=CC=N1)(NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519527	0	52	0.0	-73.63	404.62	8.61	-65.02
CC(CN1C=CC=N1)(NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519527	1	52	0.0	-73.36	404.73	8.62	-64.74
C[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519528	0	45	0.0	-71.47	344.77	8.23	-63.24
C[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519528	1	45	0.0	-71.39	344.62	8.16	-63.23
CCC[C@H](NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519529	0	48	0.0	-73.60	375.35	7.94	-65.66
CCC[C@H](NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519529	1	48	0.0	-73.37	375.44	7.96	-65.41
CCN(C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012519530	0	48	0.0	-71.29	362.39	9.01	-62.28
CCN(C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012519530	1	48	0.0	-72.15	363.51	9.11	-63.04
O=C([O-])CN(C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C1CCCC1	REAL300012519531	0	52	0.0	-57.32	388.94	10.54	-46.78
O=C([O-])CN(C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C1CCCC1	REAL300012519531	1	52	0.0	-57.22	388.93	10.54	-46.68
CC(CN(C)C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519532	0	48	0.0	-77.38	365.90	8.66	-68.72
CC(CN(C)C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519532	1	48	0.0	-80.44	366.24	8.87	-71.57
CC[C@H](C)[C@H](NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519533	0	51	0.0	-75.25	385.92	8.12	-67.13
CC[C@H](C)[C@H](NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519533	1	51	0.0	-73.64	384.36	8.11	-65.53
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519534	0	48	0.0	-72.54	365.11	9.15	-63.39
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012519534	1	48	0.0	-71.86	365.16	9.32	-62.54
O=C([O-])C1(NC(=O)NCC[N@@H+]2CCC3=CC=CC=C3C2)CC(CO)C1	REAL300012519535	0	50	0.0	-78.33	388.00	5.15	-73.18
O=C([O-])C1(NC(=O)NCC[N@H+]2CCC3=CC=CC=C3C2)CC(CO)C1	REAL300012519535	1	50	0.0	-83.16	386.06	5.07	-78.09
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519536	0	58	0.0	-76.41	438.15	8.47	-67.94
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519536	1	58	0.0	-76.17	438.25	8.49	-67.68
CC1CCC(NC(=O)NCC[N@@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012519537	0	52	0.0	-77.04	390.73	8.85	-68.19
CC1CCC(NC(=O)NCC[N@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012519537	1	52	0.0	-77.04	390.87	8.82	-68.22
CC1(C)CCCC1(NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519538	0	55	0.0	-77.30	400.25	9.61	-67.69
CC1(C)CCCC1(NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519538	1	55	0.0	-77.35	400.32	9.64	-67.71
COCCC(NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519539	0	49	0.0	-74.21	388.12	6.29	-67.92
COCCC(NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519539	1	49	0.0	-74.67	388.34	6.23	-68.44
CN(C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012519540	0	55	0.0	-75.13	423.71	12.14	-62.99
CN(C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012519540	1	55	0.0	-75.18	423.63	12.14	-63.04
CC1(C)CC(NC(=O)NCC[N@@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012519541	0	52	0.0	-78.74	392.24	9.59	-69.15
CC1(C)CC(NC(=O)NCC[N@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012519541	1	52	0.0	-79.05	391.90	9.58	-69.47
CC1(C(NC(=O)NCC[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])CC1	REAL300012519542	0	49	0.0	-75.67	376.13	8.50	-67.17
CC1(C(NC(=O)NCC[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])CC1	REAL300012519542	1	49	0.0	-76.90	378.29	8.53	-68.37
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519543	0	58	0.0	-75.02	438.48	8.44	-66.58
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519543	1	58	0.0	-75.36	438.56	8.45	-66.91
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CN(C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012519610	0	55	0.0	-74.71	423.69	12.22	-62.49
CN(C(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012519610	1	55	0.0	-74.87	423.69	12.23	-62.64
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CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012519621	0	49	0.0	-78.98	383.01	9.85	-69.13
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CC(C)(C)CC(NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519628	0	54	0.0	-75.04	405.51	9.55	-65.49
CC(C)(C)CC(NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012519628	1	54	0.0	-74.01	404.64	9.57	-64.44
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C[C@H]1OCCN(C(=O)NCC[N@@H+]2CCC3=CC=CC=C3C2)[C@@H]1C(=O)[O-]	REAL300012519631	0	50	0.0	-80.28	375.44	8.39	-71.89
C[C@H]1OCCN(C(=O)NCC[N@H+]2CCC3=CC=CC=C3C2)[C@@H]1C(=O)[O-]	REAL300012519631	1	50	0.0	-80.31	375.43	8.39	-71.92
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CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)=CC=[NH+]1	REAL300012519644	0	48	0.0	-66.86	371.01	4.88	-61.98
CC1CCN(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(C(=O)[O-])C1	REAL300012519645	0	47	0.0	-78.52	351.92	8.59	-69.93
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CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=CC=[NH+]1	REAL300012519647	0	49	0.0	-68.10	398.19	7.07	-61.03
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CC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])C=C1C	REAL300012519649	0	50	0.0	-69.41	401.26	8.31	-61.10
COC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])C=C1Cl	REAL300012519650	0	48	0.0	-65.88	408.37	6.97	-58.91
CC1=CC=CC(C(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])=C1C	REAL300012519651	0	50	0.0	-68.58	393.71	8.25	-60.33
COC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])C=C1F	REAL300012519652	0	48	0.0	-66.24	398.57	6.48	-59.76
CC(C(=O)[O-])N(C(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C1CCC1	REAL300012519653	0	47	0.0	-54.75	360.07	7.97	-46.78
CCCN(C(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(COC)C(=O)[O-]	REAL300012519654	0	50	0.0	-71.84	388.32	8.54	-63.30
CCCN(C(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(CC)C(=O)[O-]	REAL300012519655	0	49	0.0	-65.32	371.25	8.53	-56.79
CN(C)C1=CC(CNC(=O)N2CCCCC2C(=O)[O-])=CC=[NH+]1	REAL300012519656	0	44	0.0	-78.17	337.68	8.18	-69.99
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=[NH+]1	REAL300012519657	0	44	0.0	-64.49	378.97	7.66	-56.83
CN(C)C1=CC(CNC(=O)N2CCSCC2C(=O)[O-])=CC=[NH+]1	REAL300012519658	0	42	0.0	-74.65	337.25	7.93	-66.72
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=CC=[NH+]1	REAL300012519659	0	47	0.0	-71.97	356.06	7.27	-64.70
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=CC=[NH+]1	REAL300012519660	0	44	0.0	-71.76	341.71	6.15	-65.61
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)=CC=[NH+]1	REAL300012519661	0	50	0.0	-72.63	362.77	7.88	-64.75
CN(C)C1=CC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519662	0	47	0.0	-69.19	384.90	8.12	-61.07
CN(C)C1=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=CC=[NH+]1	REAL300012519663	0	47	0.0	-52.47	384.61	9.87	-42.60
CN(C)C1=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=CC=[NH+]1	REAL300012519664	0	44	0.0	-69.04	362.54	7.14	-61.90
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=CC=[NH+]1	REAL300012519665	0	44	0.0	-68.59	362.49	7.14	-61.45
CN(C)C1=CC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519666	0	47	0.0	-69.19	384.90	8.12	-61.07
CCC(C)C(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519667	0	46	0.0	-66.17	358.55	6.23	-59.94
CN(C)C1=CC(CNC(=O)N2CCCCC2C(=O)[O-])=CC=[NH+]1	REAL300012519668	0	44	0.0	-78.17	337.68	8.18	-69.99
CCCC(C)(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519669	0	46	0.0	-67.47	352.34	6.16	-61.31
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519670	0	46	0.0	-52.16	360.80	8.14	-44.02
CN(C)C1=CC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CC=[NH+]1	REAL300012519671	0	48	0.0	-77.67	375.40	10.11	-67.56
CN(C)C1=CC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)=CC=[NH+]1	REAL300012519672	0	44	0.0	-69.61	341.34	6.18	-63.43
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)=CC=[NH+]1	REAL300012519673	0	41	0.0	-66.96	354.13	6.19	-60.77
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=CC=[NH+]1	REAL300012519674	0	47	0.0	-71.97	356.06	7.27	-64.70
CN(C)C1=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=CC=[NH+]1	REAL300012519675	0	47	0.0	-50.11	400.02	10.41	-39.70
CN(C)C1=CC(CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=CC=[NH+]1	REAL300012519676	0	51	0.0	-70.27	413.79	8.11	-62.16
CC[C@H](C)[C@H](NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519677	0	46	0.0	-67.48	358.20	6.05	-61.43
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=CC=[NH+]1	REAL300012519678	0	44	0.0	-71.76	341.71	6.15	-65.61
CN(C)C1=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=CC=[NH+]1	REAL300012519679	0	47	0.0	-50.29	390.92	9.89	-40.40
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=CC=[NH+]1	REAL300012519680	0	48	0.0	-71.66	382.23	8.44	-63.22
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=[NH+]1	REAL300012519681	0	44	0.0	-68.81	374.55	7.22	-61.59
CN(C)C1=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=[NH+]1	REAL300012519682	0	47	0.0	-69.31	370.21	7.89	-61.42
CCCCCCC(C)(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519683	0	55	0.0	-67.65	416.84	8.50	-59.15
CN(C)C1=CC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519684	0	50	0.0	-66.67	393.33	9.97	-56.70
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=[NH+]1	REAL300012519685	0	44	0.0	-64.49	378.97	7.66	-56.83
CN(C)C1=CC(CNC(=O)N2CCOCC2C(=O)[O-])=CC=[NH+]1	REAL300012519686	0	42	0.0	-74.77	327.52	5.63	-69.14
CN(C)C1=CC(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)=CC=[NH+]1	REAL300012519687	0	50	0.0	-73.71	365.50	8.57	-65.14
CN(C)C1=CC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=CC=[NH+]1	REAL300012519688	0	50	0.0	-53.27	405.66	10.62	-42.65
CN(C)C1=CC(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)=CC=[NH+]1	REAL300012519689	0	47	0.0	-69.25	373.50	9.33	-59.92
COCCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519690	0	44	0.0	-52.82	355.63	6.03	-46.79
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=CC=[NH+]1	REAL300012519691	0	48	0.0	-73.37	377.20	8.20	-65.17
CN(C)C1=CC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=[NH+]1	REAL300012519692	0	44	0.0	-77.75	337.44	8.08	-69.67
CN(C)C1=CC(CNC(=O)N2CCCC2(C)C(=O)[O-])=CC=[NH+]1	REAL300012519693	0	44	0.0	-73.48	342.56	7.51	-65.97
CN(C)C1=CC(CNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=CC=[NH+]1	REAL300012519694	0	51	0.0	-75.86	419.67	8.02	-67.84
CN(C)C1=CC(CNC(=O)N2CCCCCC2C(=O)[O-])=CC=[NH+]1	REAL300012519695	0	47	0.0	-76.76	349.62	8.61	-68.15
CCCCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519696	0	46	0.0	-67.12	369.35	6.61	-60.51
CN(C)C1=CC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=CC=[NH+]1	REAL300012519697	0	50	0.0	-53.27	405.66	10.62	-42.65
CN(C)C1=CC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=[NH+]1	REAL300012519698	0	44	0.0	-74.10	343.48	7.45	-66.65
CN(C)C1=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=CC=[NH+]1	REAL300012519699	0	47	0.0	-51.40	360.80	8.45	-42.95
CCCCCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519700	0	49	0.0	-67.07	390.82	7.35	-59.72
CCC1CCC(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)(C(=O)[O-])CC1	REAL300012519701	0	53	0.0	-71.76	394.94	8.48	-63.28
CN(C)C1=CC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)=CC=[NH+]1	REAL300012519702	0	48	0.0	-52.04	369.06	6.79	-45.25
CN(C)C1=CC(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)=CC=[NH+]1	REAL300012519703	0	47	0.0	-73.89	352.08	7.84	-66.05
CC(C(=O)[O-])N(C(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C1CC1	REAL300012519704	0	44	0.0	-63.90	335.52	7.14	-56.76
CCC(C(=O)[O-])N(C(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C1CC1	REAL300012519705	0	47	0.0	-55.87	363.23	8.46	-47.41
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=CC=[NH+]1	REAL300012519706	0	44	0.0	-69.57	373.00	7.53	-62.04
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=CC=[NH+]1	REAL300012519707	0	44	0.0	-73.24	367.45	7.21	-66.03
CN(C)C1=CC(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=CC=[NH+]1	REAL300012519708	0	48	0.0	-57.38	377.29	9.58	-47.80
CN(C)C1=CC(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=[NH+]1	REAL300012519709	0	47	0.0	-71.58	400.00	8.33	-63.25
CN(C)C1=CC(CNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=CC=[NH+]1	REAL300012519710	0	53	0.0	-73.15	428.45	10.14	-63.01
CN(C)C1=CC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])=CC=[NH+]1	REAL300012519711	0	53	0.0	-67.90	406.30	8.25	-59.65
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519712	0	50	0.0	-54.57	394.65	10.77	-43.80
CC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])C=C1	REAL300012519713	0	47	0.0	-68.97	385.17	7.74	-61.23
CN(C)C1=CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])=CC=[NH+]1	REAL300012519714	0	40	0.0	-61.75	343.62	5.74	-56.01
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CC=[NH+]1	REAL300012519715	0	50	0.0	-70.04	408.21	9.44	-60.60
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCSCC2)=CC=[NH+]1	REAL300012519716	0	45	0.0	-68.06	353.57	6.97	-61.09
COCC(C)(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519717	0	44	0.0	-71.46	349.09	4.69	-66.77
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519718	0	47	0.0	-64.44	368.57	6.39	-58.05
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519719	0	46	0.0	-52.16	360.80	8.14	-44.02
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519720	0	53	0.0	-49.57	412.59	11.16	-38.41
CN(C)C1=CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=[NH+]1	REAL300012519721	0	43	0.0	-52.17	363.91	8.02	-44.15
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCOC2)=CC=[NH+]1	REAL300012519722	0	42	0.0	-66.91	332.00	3.51	-63.40
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)=CC=[NH+]1	REAL300012519723	0	50	0.0	-69.98	381.42	7.25	-62.73
CN(C)C1=CC(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])=CC=[NH+]1	REAL300012519724	0	51	0.0	-65.64	397.23	7.82	-57.82
CN(C)C1=CC(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=CC=[NH+]1	REAL300012519725	0	51	0.0	-76.92	401.97	11.05	-65.87
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCOCC2)=CC=[NH+]1	REAL300012519726	0	45	0.0	-71.20	347.30	4.78	-66.42
C=CCCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519727	0	44	0.0	-66.76	362.00	6.37	-60.39
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519728	0	50	0.0	-49.41	392.68	10.91	-38.50
CCC(CC)(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519729	0	46	0.0	-68.96	346.84	6.29	-62.67
COC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])C=C1	REAL300012519730	0	48	0.0	-67.71	391.36	6.42	-61.29
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519731	0	46	0.0	-50.17	357.16	8.38	-41.79
CCC(COC)(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519732	0	47	0.0	-72.92	366.74	5.61	-67.31
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519733	0	50	0.0	-64.42	389.62	7.27	-57.15
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)=CC=[NH+]1	REAL300012519734	0	47	0.0	-72.84	372.41	3.22	-69.62
CN(C)C1=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=CC=[NH+]1	REAL300012519735	0	44	0.0	-67.03	358.32	6.59	-60.44
COCCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519736	0	44	0.0	-66.68	359.55	4.11	-62.57
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519737	0	49	0.0	-63.42	373.52	8.51	-54.91
CN(C)C1=CC(CNC(=O)NC(CC(F)F)C(=O)[O-])=CC=[NH+]1	REAL300012519738	0	40	0.0	-66.09	339.20	5.35	-60.74
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519739	0	50	0.0	-76.96	377.33	9.47	-67.49
CCCN(C(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(C)C(=O)[O-]	REAL300012519740	0	46	0.0	-64.14	356.01	7.67	-56.47
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519741	0	50	0.0	-47.86	394.34	10.97	-36.89
CCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012519742	0	50	0.0	-66.88	404.30	9.28	-57.60
CCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012519743	0	50	0.0	-70.62	387.26	8.77	-61.85
COC1CCCC(C(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])C1	REAL300012519744	0	54	0.0	-72.93	412.23	6.32	-66.61
COC1(CC(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])CCC1	REAL300012519745	0	51	0.0	-70.08	399.43	6.05	-64.03
CN(C)C1=CC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)=CC=[NH+]1	REAL300012519746	0	48	0.0	-52.04	369.06	6.79	-45.25
CN(C)C1=CC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)=CC=[NH+]1	REAL300012519747	0	50	0.0	-53.08	378.03	9.17	-43.91
C[C@H]1CC[C@@](NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)(C(=O)[O-])CC1	REAL300012519748	0	50	0.0	-71.66	371.00	7.65	-64.01
COC1=CC=CC(C(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])=C1	REAL300012519749	0	48	0.0	-70.92	393.32	6.40	-64.52
CN(C)C1=CC(CNC(=O)NC(C)(CCF)C(=O)[O-])=CC=[NH+]1	REAL300012519750	0	43	0.0	-64.11	337.05	5.54	-58.57
CN(C)C1=CC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=CC=[NH+]1	REAL300012519751	0	45	0.0	-57.87	359.45	7.75	-50.12
CN(C)C1=CC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])=CC=[NH+]1	REAL300012519752	0	41	0.0	-67.64	338.83	6.79	-60.85
COC1=CC=CC([C@H](NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])=C1	REAL300012519753	0	48	0.0	-70.88	391.99	6.37	-64.51
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C1	REAL300012519754	0	50	0.0	-71.45	392.69	7.98	-63.47
COC1=CC=CC(CC(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])=C1	REAL300012519755	0	51	0.0	-68.06	415.57	7.37	-60.69
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=CC=[NH+]1	REAL300012519756	0	53	0.0	-73.24	385.03	8.08	-65.16
CN(C)C1=CC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)=CC=[NH+]1	REAL300012519757	0	42	0.0	-79.77	333.75	7.59	-72.18
CN(C)C1=CC(CNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519758	0	50	0.0	-67.29	404.99	8.76	-58.53
CN(C)C1=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)=CC=[NH+]1	REAL300012519759	0	49	0.0	-64.49	399.76	8.52	-55.97
COC1CN(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(C)(C(=O)[O-])C1	REAL300012519760	0	48	0.0	-74.18	375.51	6.46	-67.72
CN(C)C1=CC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])=CC=[NH+]1	REAL300012519761	0	51	0.0	-67.55	398.98	5.83	-61.72
CN(C)C1=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=[NH+]1	REAL300012519762	0	46	0.0	-67.69	357.81	6.24	-61.45
C=C(Cl)CC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519763	0	41	0.0	-67.28	356.12	6.12	-61.16
C=C(C)CC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519764	0	44	0.0	-67.31	360.24	6.26	-61.05
CN(C)C1=CC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)=CC=[NH+]1	REAL300012519765	0	45	0.0	-81.89	346.89	8.44	-73.45
CN(C)C1=CC(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519766	0	50	0.0	-67.96	394.67	8.31	-59.65
CN(C)C1=CC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC=[NH+]1	REAL300012519767	0	41	0.0	-67.21	339.21	6.85	-60.36
CN(C)C1=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=[NH+]1	REAL300012519768	0	41	0.0	-70.98	331.96	7.05	-63.93
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C1	REAL300012519769	0	42	0.0	-73.74	339.65	7.03	-66.71
CN(C)C1=CC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])=CC=[NH+]1	REAL300012519770	0	51	0.0	-68.81	399.15	5.86	-62.95
CC(C)C[C@H](NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519771	0	46	0.0	-67.15	364.78	6.39	-60.76
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)=CC=[NH+]1	REAL300012519772	0	48	0.0	-71.53	372.18	4.83	-66.70
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=CC=[NH+]1	REAL300012519773	0	44	0.0	-68.59	362.49	7.14	-61.45
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CC=[NH+]1	REAL300012519774	0	47	0.0	-67.57	402.46	8.06	-59.51
CN(C)C1=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=CC=[NH+]1	REAL300012519775	0	44	0.0	-67.03	358.32	6.59	-60.44
CN(C)C1=CC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])=CC=[NH+]1	REAL300012519776	0	43	0.0	-68.49	372.76	5.15	-63.34
CC(C)CCCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519777	0	52	0.0	-66.46	407.94	7.89	-58.57
CN(C)C1=CC(CNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=CC=[NH+]1	REAL300012519778	0	50	0.0	-71.64	415.49	8.47	-63.17
CN(C)C1=CC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])=CC=[NH+]1	REAL300012519779	0	48	0.0	-71.86	383.63	5.49	-66.37
CSCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519780	0	41	0.0	-63.92	349.50	5.49	-58.43
CN(C)C1=CC(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519781	0	47	0.0	-66.96	392.28	8.19	-58.77
CCC(C)CC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519782	0	49	0.0	-66.80	382.42	6.99	-59.81
C=CCCCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519783	0	47	0.0	-66.70	383.40	7.10	-59.60
CN(C)C1=CC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519784	0	47	0.0	-66.90	391.51	8.13	-58.77
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC=[NH+]1	REAL300012519785	0	50	0.0	-72.84	403.77	9.27	-63.57
CN(C)C1=CC(CNC(=O)N2CCSCC2C(=O)[O-])=CC=[NH+]1	REAL300012519786	0	42	0.0	-74.65	337.25	7.93	-66.72
CN(C)C1=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=[NH+]1	REAL300012519787	0	47	0.0	-69.31	370.21	7.89	-61.42
CN(C)C1=CC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=CC=[NH+]1	REAL300012519788	0	45	0.0	-80.08	346.98	8.52	-71.56
CCN(C(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(C)(C)C(=O)[O-]	REAL300012519789	0	46	0.0	-71.27	352.28	7.76	-63.51
CCCN(C(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(C)C(=O)[O-]	REAL300012519790	0	46	0.0	-64.14	356.01	7.67	-56.47
CN(C)C1=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=CC=[NH+]1	REAL300012519791	0	40	0.0	-62.61	339.23	7.37	-55.24
CN(C)C1=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=CC=[NH+]1	REAL300012519792	0	40	0.0	-62.61	339.23	7.37	-55.24
CN(C)C1=CC(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])=CC=[NH+]1	REAL300012519793	0	53	0.0	-53.05	412.98	5.34	-47.71
CN(C)C1=CC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=CC=[NH+]1	REAL300012519794	0	42	0.0	-76.53	338.48	3.13	-73.40
CN(C)C1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=N1	REAL300012519795	1	57	0.0	-64.42	439.49	7.30	-57.12
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519796	0	48	0.0	-49.00	382.13	9.84	-39.16
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)[C@H]1C(=O)[O-]	REAL300012519797	0	51	0.0	-56.38	389.80	10.07	-46.31
CN(C)C1=CC(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=CC=[NH+]1	REAL300012519798	0	49	0.0	-66.28	382.57	8.25	-58.03
CN(C)C1=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=CC=[NH+]1	REAL300012519799	0	44	0.0	-69.04	362.54	7.14	-61.90
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CC=[NH+]1	REAL300012519800	0	47	0.0	-64.36	401.37	8.20	-56.16
CN(C)C1=CC(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519801	0	49	0.0	-69.62	403.87	7.02	-62.60
C=CCCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519802	0	44	0.0	-66.76	362.00	6.37	-60.39
CN(C)C1=CC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])=CC=[NH+]1	REAL300012519803	0	43	0.0	-70.39	371.41	5.12	-65.27
CN(C)C1=CC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=[NH+]1	REAL300012519804	0	44	0.0	-63.70	390.82	6.84	-56.86
CN(C)C1=CC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])=CC=[NH+]1	REAL300012519805	0	44	0.0	-83.71	355.99	4.51	-79.20
CN(C)C1=CC(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])=CC=[NH+]1	REAL300012519806	0	45	0.0	-68.66	353.73	6.20	-62.46
CN(C)C1=CC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=[NH+]1	REAL300012519807	0	44	0.0	-73.40	342.39	7.52	-65.88
CN(C)C1=CC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=CC=[NH+]1	REAL300012519808	0	44	0.0	-67.86	362.26	7.14	-60.72
CN(C)C1=CC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=CC=[NH+]1	REAL300012519809	0	47	0.0	-71.20	372.32	6.44	-64.76
CN(C)C1=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=CC=[NH+]1	REAL300012519810	0	47	0.0	-51.40	360.80	8.45	-42.95
CC[C@H](C)[C@H](NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519811	0	46	0.0	-67.48	358.20	6.05	-61.43
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)=CC=[NH+]1	REAL300012519812	0	45	0.0	-72.62	359.75	3.01	-69.61
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519813	0	53	0.0	-68.86	410.86	6.29	-62.57
CC1CCC(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)(C(=O)[O-])C1	REAL300012519814	0	47	0.0	-71.99	362.79	6.78	-65.21
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)=CC=[NH+]1	REAL300012519815	0	50	0.0	-72.22	371.89	7.53	-64.69
COCCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519816	0	44	0.0	-66.68	359.55	4.11	-62.57
CN(C)C1=CC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519817	0	50	0.0	-66.67	393.33	9.97	-56.70
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC=[NH+]1	REAL300012519818	0	47	0.0	-73.33	364.29	7.47	-65.86
CC1CCC(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012519819	0	54	0.0	-74.38	412.63	9.51	-64.87
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)=CC=[NH+]1	REAL300012519820	0	44	0.0	-70.29	350.33	6.40	-63.89
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519821	0	53	0.0	-69.87	410.76	6.25	-63.62
CN(C)C1=CC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=CC=[NH+]1	REAL300012519822	0	42	0.0	-80.11	337.02	3.39	-76.72
CN(C)C1=CC(CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=CC=[NH+]1	REAL300012519823	0	52	0.0	-57.01	406.07	10.69	-46.32
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2CCOC2)=CC=[NH+]1	REAL300012519824	0	45	0.0	-64.32	357.67	4.02	-60.30
CN(C)C1=CC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=CC=[NH+]1	REAL300012519825	0	45	0.0	-78.33	346.95	8.07	-70.26
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=CC=[NH+]1	REAL300012519826	0	48	0.0	-75.99	395.87	7.13	-68.86
CN(C)C1=CC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)=CC=[NH+]1	REAL300012519827	0	43	0.0	-73.22	337.01	5.83	-67.39
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C1	REAL300012519828	0	47	0.0	-77.25	357.54	8.81	-68.44
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519829	0	50	0.0	-67.26	400.03	8.38	-58.88
CN(C)C1=CC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])=CC=[NH+]1	REAL300012519830	0	51	0.0	-67.28	395.59	8.86	-58.42
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2CCC2)=CC=[NH+]1	REAL300012519831	0	44	0.0	-68.71	347.72	5.88	-62.83
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=CC=[NH+]1	REAL300012519832	0	57	0.0	-70.78	420.13	7.81	-62.97
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)=CC=[NH+]1	REAL300012519833	0	50	0.0	-69.98	381.42	7.25	-62.73
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2CCC2)=CC=[NH+]1	REAL300012519834	0	44	0.0	-68.71	347.72	5.88	-62.83
CC1CCN(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C1C(=O)[O-]	REAL300012519835	0	44	0.0	-75.16	341.48	7.13	-68.03
CN(C)C1=CC(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])=CC=[NH+]1	REAL300012519836	0	51	0.0	-71.12	400.57	6.25	-64.87
CN(C)C1=CC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=CC=[NH+]1	REAL300012519837	0	51	0.0	-46.47	373.47	8.77	-37.70
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=CC=[NH+]1	REAL300012519838	0	51	0.0	-72.07	376.34	6.04	-66.03
CN(C)C1=CC(CNC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])=CC=[NH+]1	REAL300012519839	0	50	0.0	-70.02	423.32	9.32	-60.70
CC1=CC=CC2=C1CCN(C(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C2C(=O)[O-]	REAL300012519840	0	51	0.0	-55.06	395.00	10.06	-45.00
CN(C)C1=CC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=CC=[NH+]1	REAL300012519841	0	45	0.0	-50.36	348.25	7.97	-42.39
CN(C)C1=CC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])=CC=[NH+]1	REAL300012519842	0	51	0.0	-67.28	395.59	8.86	-58.42
CN(C)C1=CC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519843	0	47	0.0	-70.64	390.93	8.17	-62.47
COC1CC(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)(C(=O)[O-])C1	REAL300012519844	0	45	0.0	-74.93	360.92	4.71	-70.22
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)=CC=[NH+]1	REAL300012519845	0	41	0.0	-70.85	336.29	5.78	-65.07
CO[C@H]1C[C@](NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)(C(=O)[O-])C1	REAL300012519846	0	45	0.0	-70.36	359.78	5.02	-65.34
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=CC=[NH+]1	REAL300012519847	0	44	0.0	-61.68	368.18	6.55	-55.13
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519848	0	47	0.0	-75.06	359.34	8.66	-66.40
CN(C)C1=CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])=CC=[NH+]1	REAL300012519849	0	40	0.0	-61.75	343.62	5.74	-56.01
CN(C)C1=CC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])=CC=[NH+]1	REAL300012519850	0	48	0.0	-70.23	380.51	5.06	-65.17
CN(C)C1=CC(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])=CC=[NH+]1	REAL300012519851	0	44	0.0	-67.96	376.18	7.12	-60.84
COCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012519852	0	51	0.0	-68.92	403.50	7.14	-61.78
CC(C)C(C)(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519853	0	46	0.0	-68.46	346.65	5.99	-62.47
CN(C)C1=CC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=[NH+]1	REAL300012519854	0	42	0.0	-78.33	332.74	8.16	-70.17
CN(C)C1=CC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=CC=[NH+]1	REAL300012519855	0	45	0.0	-76.16	349.91	7.74	-68.42
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519856	0	50	0.0	-47.86	394.34	10.97	-36.89
CN(C)C1=CC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])=CC=[NH+]1	REAL300012519857	0	53	0.0	-67.90	406.30	8.25	-59.65
CN(C)C1=CC(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519858	0	50	0.0	-67.61	408.26	8.85	-58.76
CN(C)C1=CC(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519859	0	50	0.0	-68.81	407.94	8.85	-59.96
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CC=[NH+]1	REAL300012519860	0	51	0.0	-69.71	389.48	7.91	-61.80
CN(C)C1=CC(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=CC=[NH+]1	REAL300012519861	0	53	0.0	-68.47	406.20	8.31	-60.16
CN(C)C1=CC(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=CC=[NH+]1	REAL300012519862	0	53	0.0	-67.53	407.72	8.27	-59.26
CN(C)C1=CC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])=CC=[NH+]1	REAL300012519863	0	51	0.0	-49.72	386.89	8.94	-40.78
CN(C)C1=CC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=CC=[NH+]1	REAL300012519864	0	51	0.0	-76.52	383.98	8.72	-67.80
COC1=CC=C(CC(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])C=C1	REAL300012519865	0	51	0.0	-70.15	415.27	7.38	-62.77
C=CCSCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519866	0	45	0.0	-64.77	384.10	6.93	-57.84
CN(C)C1=CC(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519867	0	48	0.0	-68.01	405.35	8.54	-59.47
CN(C)C1=CC(CNC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])=CC=[NH+]1	REAL300012519868	0	51	0.0	-82.79	424.40	8.03	-74.76
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519869	0	46	0.0	-64.93	350.61	7.91	-57.02
COC1(C(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])CCC1	REAL300012519870	0	48	0.0	-64.35	373.66	4.68	-59.67
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=CC=[NH+]1	REAL300012519871	0	50	0.0	-72.65	388.28	8.05	-64.60
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=CC=[NH+]1	REAL300012519872	0	51	0.0	-71.97	393.76	9.16	-62.81
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=CC=[NH+]1	REAL300012519873	0	44	0.0	-75.05	359.28	6.57	-68.48
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC=[NH+]1	REAL300012519875	0	56	0.0	-68.17	439.05	9.43	-58.74
CC(C)C1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])C=C1	REAL300012519876	0	53	0.0	-68.63	422.77	9.07	-59.56
CN(C)C1=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=[NH+]1	REAL300012519877	0	41	0.0	-70.98	331.96	7.05	-63.93
CN(C)C1=CC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])=CC=[NH+]1	REAL300012519878	0	43	0.0	-48.65	341.58	7.77	-40.88
CN(C)C1=CC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])=CC=[NH+]1	REAL300012519879	0	47	0.0	-74.61	357.81	7.92	-66.69
CCOC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C(=O)[O-])C=C1	REAL300012519880	0	51	0.0	-67.75	413.97	7.41	-60.34
CN(C)C1=CC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])=CC=[NH+]1	REAL300012519881	0	51	0.0	-76.76	381.77	9.62	-67.14
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=CC=[NH+]1	REAL300012519882	0	51	0.0	-68.53	404.68	9.16	-59.37
CN(C)C1=CC(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519883	0	51	0.0	-73.41	405.30	8.15	-65.26
CN(C)C1=CC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=CC=[NH+]1	REAL300012519884	0	47	0.0	-71.64	398.93	8.06	-63.58
CC(C)CCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519885	0	49	0.0	-66.61	386.44	7.11	-59.50
CN(C)C1=CC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])=CC=[NH+]1	REAL300012519886	0	48	0.0	-49.83	371.98	8.42	-41.41
CN(C)C1=CC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])=CC=[NH+]1	REAL300012519887	0	48	0.0	-70.23	380.51	5.06	-65.17
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C1	REAL300012519888	0	45	0.0	-72.53	370.70	7.92	-64.61
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)=CC=[NH+]1	REAL300012519889	0	48	0.0	-73.41	361.72	7.93	-65.48
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)=CC=[NH+]1	REAL300012519890	0	45	0.0	-72.95	350.18	6.99	-65.96
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=CC=[NH+]1	REAL300012519891	0	48	0.0	-71.12	370.29	7.39	-63.73
CN(C)C1=CC(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519892	0	50	0.0	-66.80	393.73	9.99	-56.81
CN(C)C1=CC(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=CC=[NH+]1	REAL300012519893	0	54	0.0	-49.75	401.42	9.43	-40.32
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2CCCC2)=CC=[NH+]1	REAL300012519894	0	47	0.0	-67.79	364.02	6.60	-61.19
CO[C@H](C)[C@H](NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519895	0	44	0.0	-68.44	357.70	4.29	-64.15
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519896	0	44	0.0	-70.33	340.98	6.31	-64.02
CN(C)C1=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=CC=[NH+]1	REAL300012519897	0	47	0.0	-52.47	384.61	9.87	-42.60
CN(C)C1=CC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])=CC=[NH+]1	REAL300012519898	0	47	0.0	-49.92	366.17	7.71	-42.21
CN(C)C1=CC(CNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])=CC=[NH+]1	REAL300012519899	0	48	0.0	-50.96	389.58	9.51	-41.45
CN(C)C1=CC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])=CC=[NH+]1	REAL300012519900	0	44	0.0	-74.44	348.64	8.07	-66.37
CN(C)C1=CC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])=CC=[NH+]1	REAL300012519901	0	41	0.0	-76.70	336.97	7.11	-69.59
CN(C)C1=CC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519902	0	47	0.0	-70.64	390.93	8.17	-62.47
CN(C)C1=CC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519903	0	44	0.0	-67.48	375.73	7.05	-60.43
CN(C)C1=CC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=CC=[NH+]1	REAL300012519904	0	44	0.0	-66.40	354.31	7.65	-58.75
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=CC=[NH+]1	REAL300012519905	0	48	0.0	-72.53	390.77	7.74	-64.79
CN(C)C1=CC(CNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=CC=[NH+]1	REAL300012519906	0	52	0.0	-73.05	414.70	9.43	-63.62
CN(C)C1=CC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519907	0	44	0.0	-67.48	375.73	7.05	-60.43
CN(C)C1=CC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=CC=[NH+]1	REAL300012519908	0	48	0.0	-76.26	364.19	8.05	-68.21
COCCCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519909	0	47	0.0	-66.59	381.50	4.86	-61.73
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300012519910	0	46	0.0	-63.82	359.47	7.93	-55.89
CCOCC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300012519911	0	44	0.0	-68.89	360.04	4.24	-64.65
CN(C)C1=CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])=CC=[NH+]1	REAL300012519912	0	49	0.0	-68.37	377.54	7.45	-60.92
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)=CC=[NH+]1	REAL300012519913	0	48	0.0	-69.70	378.34	5.54	-64.16
CN(C)C1=CC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=CC=[NH+]1	REAL300012519914	0	48	0.0	-71.66	382.23	8.44	-63.22
C[C@H]1OCCN(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)[C@@H]1C(=O)[O-]	REAL300012519915	0	45	0.0	-76.20	349.16	6.54	-69.66
CN(C)C1=CC(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=CC=[NH+]1	REAL300012519916	0	47	0.0	-67.10	367.98	7.92	-59.18
CN(C)C1=CC(CNC(=O)NC(CCC#N)C(=O)[O-])=CC=[NH+]1	REAL300012519917	0	41	0.0	-67.78	346.38	5.58	-62.20
CN(C)C1=CC(CNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=CC=[NH+]1	REAL300012519918	0	58	0.0	-70.53	417.29	9.12	-61.41
CN(C)C1=CC(CNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=CC=[NH+]1	REAL300012519919	0	50	0.0	-72.37	415.04	8.31	-64.06
CN(C)C1=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)=CC=[NH+]1	REAL300012519920	0	44	0.0	-53.40	365.30	8.00	-45.40
CN(C)C1=CC(CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=CC=[NH+]1	REAL300012519921	0	55	0.0	-75.90	399.51	8.50	-67.40
CN(C)C1=CC(CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])=CC=[NH+]1	REAL300012519922	0	46	0.0	-67.98	396.12	6.72	-61.26
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C1	REAL300012519923	0	48	0.0	-70.44	380.75	7.01	-63.43
CC(C)C[C@H](NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012519924	1	46	0.0	-64.81	366.10	6.40	-58.41
C=CCOCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012519925	1	45	0.0	-67.83	372.40	4.80	-63.03
C=CC(C)C(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012519926	1	44	0.0	-66.98	350.78	5.85	-61.13
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300012519927	1	48	0.0	-68.14	376.33	5.10	-63.04
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=[NH+]1	REAL300012519928	1	44	0.0	-62.37	376.43	7.18	-55.19
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=[NH+]1	REAL300012519929	1	44	0.0	-62.25	386.32	7.63	-54.62
COC1CCN(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(C(=O)[O-])C1	REAL300012519930	1	48	0.0	-76.88	370.02	7.16	-69.72
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)C=[NH+]1	REAL300012519931	1	48	0.0	-65.13	371.53	4.93	-60.20
CC1CCN(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(C(=O)[O-])C1	REAL300012519932	1	47	0.0	-75.48	350.42	8.36	-67.12
CC1=CC(C(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=CC=C1F	REAL300012519933	1	47	0.0	-62.93	388.90	7.87	-55.06
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C=[NH+]1	REAL300012519934	1	49	0.0	-67.50	399.01	6.93	-60.57
CC1=CC(C)=CC(C(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=C1	REAL300012519935	1	50	0.0	-66.74	405.03	8.50	-58.24
CC1=CC=C(C(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1C	REAL300012519936	1	50	0.0	-66.78	401.01	8.38	-58.40
COC1=CC=C(C(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1Cl	REAL300012519937	1	48	0.0	-65.07	407.97	7.06	-58.01
CC1=CC=CC(C(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=C1C	REAL300012519938	1	50	0.0	-66.48	393.68	8.07	-58.41
COC1=CC=C(C(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1F	REAL300012519939	1	48	0.0	-65.82	398.56	6.47	-59.35
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C1CCC1	REAL300012519940	1	47	0.0	-42.41	353.84	8.70	-33.71
CCCN(C(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(COC)C(=O)[O-]	REAL300012519941	1	50	0.0	-69.15	388.93	8.53	-60.62
CCCN(C(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(CC)C(=O)[O-]	REAL300012519942	1	49	0.0	-56.64	372.54	8.41	-48.23
CN(C)C1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=[NH+]1	REAL300012519943	1	44	0.0	-75.78	336.18	8.18	-67.60
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=[NH+]1	REAL300012519944	1	44	0.0	-64.44	380.50	7.62	-56.82
CN(C)C1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=[NH+]1	REAL300012519945	1	42	0.0	-72.80	335.54	7.95	-64.85
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=[NH+]1	REAL300012519946	1	47	0.0	-70.89	356.18	7.24	-63.65
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300012519947	1	44	0.0	-70.75	341.66	6.15	-64.60
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)C=[NH+]1	REAL300012519948	1	50	0.0	-71.69	361.66	7.92	-63.77
CN(C)C1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012519949	1	47	0.0	-66.28	385.82	8.11	-58.17
CN(C)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=[NH+]1	REAL300012519950	1	47	0.0	-52.53	383.20	9.84	-42.69
CN(C)C1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012519951	1	44	0.0	-67.96	363.82	7.11	-60.85
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012519952	1	44	0.0	-67.50	362.44	7.20	-60.30
CN(C)C1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012519953	1	47	0.0	-66.28	385.82	8.11	-58.17
CCC(C)C(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012519954	1	46	0.0	-65.82	359.83	6.19	-59.63
CN(C)C1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=[NH+]1	REAL300012519955	1	44	0.0	-75.78	336.18	8.18	-67.60
CCCC(C)(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012519956	1	46	0.0	-64.75	353.27	6.16	-58.59
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012519957	1	46	0.0	-52.65	360.35	8.11	-44.54
CN(C)C1=CC=C(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=[NH+]1	REAL300012519958	1	48	0.0	-75.75	375.24	10.05	-65.70
CN(C)C1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C=[NH+]1	REAL300012519959	1	44	0.0	-68.35	340.14	6.17	-62.18
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C=[NH+]1	REAL300012519960	1	41	0.0	-65.51	353.81	6.21	-59.30
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=[NH+]1	REAL300012519961	1	47	0.0	-70.89	356.18	7.24	-63.65
CN(C)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C=[NH+]1	REAL300012519962	1	47	0.0	-50.31	401.29	10.38	-39.93
CN(C)C1=CC=C(CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C=[NH+]1	REAL300012519963	1	51	0.0	-67.88	414.13	8.12	-59.76
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012519964	1	46	0.0	-66.60	356.23	5.96	-60.64
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300012519965	1	44	0.0	-70.75	341.66	6.15	-64.60
CN(C)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=[NH+]1	REAL300012519966	1	47	0.0	-50.43	389.61	9.91	-40.52
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=[NH+]1	REAL300012519967	1	48	0.0	-69.38	381.65	8.23	-61.15
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=[NH+]1	REAL300012519968	1	44	0.0	-65.58	374.41	7.32	-58.26
CN(C)C1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012519969	1	47	0.0	-68.51	369.82	7.88	-60.63
CCCCCCC(C)(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012519970	1	55	0.0	-65.09	417.67	8.45	-56.64
CN(C)C1=CC=C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012519971	1	50	0.0	-64.36	394.64	9.98	-54.38
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=[NH+]1	REAL300012519972	1	44	0.0	-64.44	380.50	7.62	-56.82
CN(C)C1=CC=C(CNC(=O)N2CCOCC2C(=O)[O-])C=[NH+]1	REAL300012519973	1	42	0.0	-73.02	327.52	5.63	-67.39
CN(C)C1=CC=C(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C=[NH+]1	REAL300012519974	1	50	0.0	-72.73	366.31	8.51	-64.22
CN(C)C1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=[NH+]1	REAL300012519975	1	50	0.0	-53.90	405.64	10.65	-43.25
CN(C)C1=CC=C(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012519976	1	47	0.0	-64.62	370.55	8.76	-55.86
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012519977	1	44	0.0	-53.13	355.57	6.02	-47.11
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C=[NH+]1	REAL300012519978	1	48	0.0	-70.95	377.53	8.20	-62.75
CN(C)C1=CC=C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012519979	1	44	0.0	-74.50	337.19	7.94	-66.56
CN(C)C1=CC=C(CNC(=O)N2CCCC2(C)C(=O)[O-])C=[NH+]1	REAL300012519980	1	44	0.0	-70.71	343.48	7.50	-63.21
CN(C)C1=CC=C(CNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C=[NH+]1	REAL300012519981	1	51	0.0	-75.03	418.36	8.03	-67.00
CN(C)C1=CC=C(CNC(=O)N2CCCCCC2C(=O)[O-])C=[NH+]1	REAL300012519982	1	47	0.0	-72.63	349.75	8.50	-64.13
CCCCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012519983	1	46	0.0	-64.45	369.03	6.63	-57.82
CN(C)C1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=[NH+]1	REAL300012519984	1	50	0.0	-53.90	405.64	10.65	-43.25
CN(C)C1=CC=C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C=[NH+]1	REAL300012519985	1	44	0.0	-70.84	342.41	7.48	-63.36
CN(C)C1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=[NH+]1	REAL300012519986	1	47	0.0	-51.93	360.92	8.42	-43.51
CCCCCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012519987	1	49	0.0	-64.46	390.53	7.41	-57.05
CCC1CCC(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])CC1	REAL300012519988	1	53	0.0	-70.83	396.12	8.45	-62.38
CN(C)C1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300012519989	1	48	0.0	-52.45	368.99	6.74	-45.71
CN(C)C1=CC=C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300012519990	1	47	0.0	-71.07	352.99	7.79	-63.28
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C1CC1	REAL300012519991	1	44	0.0	-52.91	344.00	7.43	-45.48
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C1CC1	REAL300012519992	1	47	0.0	-52.87	364.65	8.55	-44.32
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C=[NH+]1	REAL300012519993	1	44	0.0	-68.12	375.70	7.53	-60.59
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C=[NH+]1	REAL300012519994	1	44	0.0	-71.08	366.00	7.17	-63.91
CN(C)C1=CC=C(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=[NH+]1	REAL300012519995	1	48	0.0	-54.86	377.73	9.53	-45.33
CN(C)C1=CC=C(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C=[NH+]1	REAL300012519996	1	47	0.0	-71.36	398.59	8.30	-63.06
CN(C)C1=CC=C(CNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C=[NH+]1	REAL300012519997	1	53	0.0	-70.29	428.47	10.09	-60.20
CN(C)C1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300012519998	1	53	0.0	-65.22	406.59	8.31	-56.91
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012519999	1	50	0.0	-55.07	394.56	10.72	-44.35
CC1=CC=C(C(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1	REAL300012520000	1	47	0.0	-66.05	383.61	7.84	-58.21
CN(C)C1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=[NH+]1	REAL300012520001	1	40	0.0	-60.34	341.75	5.75	-54.59
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=[NH+]1	REAL300012520002	1	50	0.0	-67.93	408.79	9.38	-58.55
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCSCC2)C=[NH+]1	REAL300012520003	1	45	0.0	-64.99	354.73	6.89	-58.10
COCC(C)(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520004	1	44	0.0	-69.04	349.03	4.69	-64.35
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012520005	1	47	0.0	-64.55	367.85	6.40	-58.15
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012520006	1	46	0.0	-52.65	360.35	8.11	-44.54
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012520007	1	53	0.0	-46.86	411.66	11.19	-35.67
CN(C)C1=CC=C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C=[NH+]1	REAL300012520008	1	43	0.0	-53.02	365.20	7.99	-45.03
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC2)C=[NH+]1	REAL300012520009	1	42	0.0	-66.21	332.30	3.53	-62.68
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C=[NH+]1	REAL300012520010	1	50	0.0	-67.08	381.36	7.24	-59.84
CN(C)C1=CC=C(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C=[NH+]1	REAL300012520011	1	51	0.0	-65.31	395.58	7.91	-57.40
CN(C)C1=CC=C(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C=[NH+]1	REAL300012520012	1	51	0.0	-74.64	401.73	11.21	-63.43
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOCC2)C=[NH+]1	REAL300012520013	1	45	0.0	-70.17	347.60	4.74	-65.43
C=CCCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520014	1	44	0.0	-64.29	360.72	6.41	-57.88
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012520015	1	50	0.0	-47.98	391.68	10.87	-37.11
CCC(CC)(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520016	1	46	0.0	-67.84	348.35	6.24	-61.60
COC1=CC=C(C(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1	REAL300012520017	1	48	0.0	-67.20	391.30	6.41	-60.79
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012520018	1	46	0.0	-52.00	356.28	8.18	-43.82
CCC(COC)(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520019	1	47	0.0	-72.48	365.32	5.57	-66.91
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012520020	1	50	0.0	-64.89	389.07	7.16	-57.73
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C=[NH+]1	REAL300012520021	1	47	0.0	-72.04	373.60	3.19	-68.85
CN(C)C1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=[NH+]1	REAL300012520022	1	44	0.0	-64.16	357.05	6.57	-57.59
COCCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520023	1	44	0.0	-64.72	360.08	4.15	-60.57
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012520024	1	49	0.0	-63.05	377.71	8.43	-54.62
CN(C)C1=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=[NH+]1	REAL300012520025	1	40	0.0	-60.43	336.89	5.54	-54.89
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012520026	1	50	0.0	-74.03	376.93	9.15	-64.88
CCCN(C(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(C)C(=O)[O-]	REAL300012520027	1	46	0.0	-61.68	356.32	7.67	-54.01
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012520028	1	50	0.0	-46.40	396.08	10.69	-35.71
CCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012520029	1	50	0.0	-66.31	403.87	9.25	-57.06
CCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012520030	1	50	0.0	-69.45	387.43	8.79	-60.66
COC1CCCC(C(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C1	REAL300012520031	1	54	0.0	-72.23	411.80	6.29	-65.94
COC1(CC(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])CCC1	REAL300012520032	1	51	0.0	-67.32	398.39	6.03	-61.29
CN(C)C1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300012520033	1	48	0.0	-52.45	368.99	6.74	-45.71
CN(C)C1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)C=[NH+]1	REAL300012520034	1	50	0.0	-52.29	378.34	9.12	-43.17
C[C@H]1CC[C@@](NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])CC1	REAL300012520035	1	50	0.0	-71.11	369.97	7.62	-63.49
COC1=CC=CC(C(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=C1	REAL300012520036	1	48	0.0	-68.76	393.31	6.40	-62.36
CN(C)C1=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=[NH+]1	REAL300012520037	1	43	0.0	-61.67	338.27	5.50	-56.17
CN(C)C1=CC=C(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=[NH+]1	REAL300012520038	1	45	0.0	-52.94	359.70	7.72	-45.22
CN(C)C1=CC=C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012520039	1	41	0.0	-66.72	340.06	6.74	-59.98
COC1=CC=CC([C@H](NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=C1	REAL300012520040	1	48	0.0	-68.81	392.15	6.40	-62.41
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C1	REAL300012520041	1	50	0.0	-69.61	393.59	7.97	-61.64
COC1=CC=CC(CC(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=C1	REAL300012520042	1	51	0.0	-65.24	413.92	7.38	-57.86
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=[NH+]1	REAL300012520043	1	53	0.0	-70.02	384.09	8.11	-61.91
CN(C)C1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C=[NH+]1	REAL300012520044	1	42	0.0	-77.88	332.72	7.57	-70.31
CN(C)C1=CC=C(CNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C=[NH+]1	REAL300012520045	1	50	0.0	-64.14	404.55	8.74	-55.40
CN(C)C1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C=[NH+]1	REAL300012520046	1	49	0.0	-72.21	398.84	8.55	-63.66
COC1CN(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(C)(C(=O)[O-])C1	REAL300012520047	1	48	0.0	-68.17	374.97	6.55	-61.62
CN(C)C1=CC=C(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C=[NH+]1	REAL300012520048	1	51	0.0	-63.87	393.43	6.63	-57.24
CN(C)C1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=[NH+]1	REAL300012520049	1	46	0.0	-66.27	357.45	6.14	-60.13
C=C(Cl)CC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520050	1	41	0.0	-67.57	356.90	6.08	-61.49
C=C(C)CC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520051	1	44	0.0	-66.37	359.03	6.22	-60.15
CN(C)C1=CC=C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C=[NH+]1	REAL300012520052	1	45	0.0	-80.29	347.51	8.38	-71.91
CN(C)C1=CC=C(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C=[NH+]1	REAL300012520053	1	50	0.0	-64.85	394.23	8.28	-56.57
CN(C)C1=CC=C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300012520054	1	41	0.0	-66.31	339.29	7.07	-59.24
CN(C)C1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300012520055	1	41	0.0	-70.80	331.91	7.03	-63.77
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C1	REAL300012520056	1	42	0.0	-71.24	340.59	7.02	-64.22
CN(C)C1=CC=C(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C=[NH+]1	REAL300012520057	1	51	0.0	-68.69	398.12	5.84	-62.85
CC(C)C[C@H](NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520058	1	46	0.0	-64.81	366.10	6.40	-58.41
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300012520059	1	48	0.0	-68.14	376.33	5.10	-63.04
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012520060	1	44	0.0	-67.50	362.44	7.20	-60.30
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=[NH+]1	REAL300012520061	1	47	0.0	-67.04	401.52	8.08	-58.96
CN(C)C1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=[NH+]1	REAL300012520062	1	44	0.0	-64.16	357.05	6.57	-57.59
CN(C)C1=CC=C(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C=[NH+]1	REAL300012520063	1	43	0.0	-64.60	370.44	5.25	-59.35
CC(C)CCCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520064	1	52	0.0	-64.43	408.12	7.95	-56.48
CN(C)C1=CC=C(CNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C=[NH+]1	REAL300012520065	1	50	0.0	-64.85	415.84	8.41	-56.44
CN(C)C1=CC=C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])C=[NH+]1	REAL300012520066	1	48	0.0	-69.42	383.82	5.41	-64.01
CSCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520067	1	41	0.0	-63.34	350.42	5.48	-57.86
CN(C)C1=CC=C(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C=[NH+]1	REAL300012520068	1	47	0.0	-65.98	390.88	8.16	-57.82
CCC(C)CC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520069	1	49	0.0	-65.62	384.69	7.00	-58.62
C=CCCCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520070	1	47	0.0	-64.56	381.87	7.22	-57.34
CN(C)C1=CC=C(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C=[NH+]1	REAL300012520071	1	47	0.0	-64.07	391.49	8.08	-55.99
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=[NH+]1	REAL300012520072	1	50	0.0	-71.83	403.70	9.26	-62.57
CN(C)C1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=[NH+]1	REAL300012520073	1	42	0.0	-72.80	335.54	7.95	-64.85
CN(C)C1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012520074	1	47	0.0	-68.51	369.82	7.88	-60.63
CN(C)C1=CC=C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=[NH+]1	REAL300012520075	1	45	0.0	-78.04	347.72	8.51	-69.53
CCN(C(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(C)(C)C(=O)[O-]	REAL300012520076	1	46	0.0	-67.90	352.22	7.74	-60.16
CCCN(C(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(C)C(=O)[O-]	REAL300012520077	1	46	0.0	-61.68	356.32	7.67	-54.01
CN(C)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=[NH+]1	REAL300012520078	1	40	0.0	-60.58	340.18	7.35	-53.23
CN(C)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=[NH+]1	REAL300012520079	1	40	0.0	-60.58	340.18	7.35	-53.23
CN(C)C1=CC=C(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C=[NH+]1	REAL300012520080	1	53	0.0	-53.63	412.93	5.32	-48.31
CN(C)C1=CC=C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012520081	1	42	0.0	-75.51	337.42	3.26	-72.25
CN(C)C1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012520082	0	57	0.0	-66.47	439.45	7.29	-59.18
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012520083	1	48	0.0	-48.76	379.30	9.96	-38.80
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)[C@H]1C(=O)[O-]	REAL300012520084	1	51	0.0	-55.95	389.23	10.21	-45.74
CN(C)C1=CC=C(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C=[NH+]1	REAL300012520085	1	49	0.0	-64.54	382.50	8.24	-56.30
CN(C)C1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012520086	1	44	0.0	-67.96	363.82	7.11	-60.85
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=[NH+]1	REAL300012520087	1	47	0.0	-62.02	400.95	8.17	-53.85
CN(C)C1=CC=C(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C=[NH+]1	REAL300012520088	1	49	0.0	-68.45	402.11	7.06	-61.39
C=CCCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520089	1	44	0.0	-64.29	360.72	6.41	-57.88
CN(C)C1=CC=C(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C=[NH+]1	REAL300012520090	1	43	0.0	-67.76	371.36	5.10	-62.66
CN(C)C1=CC=C(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C=[NH+]1	REAL300012520091	1	44	0.0	-60.86	391.27	6.86	-54.00
CN(C)C1=CC=C(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C=[NH+]1	REAL300012520092	1	44	0.0	-82.12	355.91	4.50	-77.62
CN(C)C1=CC=C(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C=[NH+]1	REAL300012520093	1	45	0.0	-67.13	354.43	6.23	-60.90
CN(C)C1=CC=C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C=[NH+]1	REAL300012520094	1	44	0.0	-70.87	342.52	7.49	-63.38
CN(C)C1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012520095	1	44	0.0	-66.41	363.76	7.11	-59.30
CN(C)C1=CC=C(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=[NH+]1	REAL300012520096	1	47	0.0	-68.35	372.27	6.44	-61.91
CN(C)C1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=[NH+]1	REAL300012520097	1	47	0.0	-51.93	360.92	8.42	-43.51
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520098	1	46	0.0	-66.60	356.23	5.96	-60.64
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C=[NH+]1	REAL300012520099	1	45	0.0	-71.42	360.93	2.99	-68.43
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520100	1	53	0.0	-65.84	407.10	6.21	-59.63
CC1CCC(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])C1	REAL300012520101	1	47	0.0	-68.86	363.61	6.72	-62.14
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C=[NH+]1	REAL300012520102	1	50	0.0	-68.84	371.84	7.52	-61.32
COCCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520103	1	44	0.0	-64.72	360.08	4.15	-60.57
CN(C)C1=CC=C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012520104	1	50	0.0	-64.36	394.64	9.98	-54.38
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=[NH+]1	REAL300012520105	1	47	0.0	-72.24	365.10	7.41	-64.83
CC1CCC(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012520106	1	54	0.0	-69.23	411.15	9.45	-59.78
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C=[NH+]1	REAL300012520107	1	44	0.0	-69.52	351.15	6.35	-63.17
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520108	1	53	0.0	-68.19	411.39	6.27	-61.92
CN(C)C1=CC=C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012520109	1	42	0.0	-77.13	336.12	3.42	-73.71
CN(C)C1=CC=C(CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C=[NH+]1	REAL300012520110	1	52	0.0	-53.51	404.99	10.66	-42.85
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOC2)C=[NH+]1	REAL300012520111	1	45	0.0	-65.54	354.81	4.04	-61.50
CN(C)C1=CC=C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=[NH+]1	REAL300012520112	1	45	0.0	-77.25	346.99	8.06	-69.19
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C=[NH+]1	REAL300012520113	1	48	0.0	-74.40	394.33	7.17	-67.23
CN(C)C1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C=[NH+]1	REAL300012520114	1	43	0.0	-73.11	340.11	5.69	-67.42
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C1	REAL300012520115	1	47	0.0	-75.40	357.67	8.81	-66.59
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520116	1	50	0.0	-64.83	401.21	8.39	-56.44
CN(C)C1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=[NH+]1	REAL300012520117	1	51	0.0	-67.18	394.88	8.83	-58.35
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=[NH+]1	REAL300012520118	1	44	0.0	-65.97	347.77	5.92	-60.05
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C=[NH+]1	REAL300012520119	1	57	0.0	-69.97	421.01	7.89	-62.08
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C=[NH+]1	REAL300012520120	1	50	0.0	-67.08	381.36	7.24	-59.84
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=[NH+]1	REAL300012520121	1	44	0.0	-65.97	347.77	5.92	-60.05
CC1CCN(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C1C(=O)[O-]	REAL300012520122	1	44	0.0	-73.98	342.48	7.06	-66.92
CN(C)C1=CC=C(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C=[NH+]1	REAL300012520123	1	51	0.0	-64.09	398.27	6.82	-57.27
CN(C)C1=CC=C(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=[NH+]1	REAL300012520124	1	51	0.0	-46.38	372.94	8.71	-37.67
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C=[NH+]1	REAL300012520125	1	51	0.0	-71.33	376.69	6.05	-65.28
CN(C)C1=CC=C(CNC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C=[NH+]1	REAL300012520126	1	50	0.0	-67.42	422.88	9.29	-58.13
CC1=CC=CC2=C1CCN(C(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C2C(=O)[O-]	REAL300012520127	1	51	0.0	-52.51	394.95	10.09	-42.42
CN(C)C1=CC=C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=[NH+]1	REAL300012520128	1	45	0.0	-49.07	349.18	7.93	-41.14
CN(C)C1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=[NH+]1	REAL300012520129	1	51	0.0	-67.18	394.88	8.83	-58.35
CN(C)C1=CC=C(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=[NH+]1	REAL300012520130	1	47	0.0	-68.40	392.38	8.07	-60.33
COC1CC(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])C1	REAL300012520131	1	45	0.0	-74.07	361.15	4.69	-69.38
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=[NH+]1	REAL300012520132	1	41	0.0	-69.76	336.20	5.77	-63.99
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])C1	REAL300012520133	1	45	0.0	-67.25	360.50	4.61	-62.64
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C=[NH+]1	REAL300012520134	1	44	0.0	-68.93	365.51	6.76	-62.17
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012520135	1	47	0.0	-73.87	359.29	8.64	-65.23
CN(C)C1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=[NH+]1	REAL300012520136	1	40	0.0	-60.34	341.75	5.75	-54.59
CN(C)C1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C=[NH+]1	REAL300012520137	1	48	0.0	-67.56	380.08	5.02	-62.54
CN(C)C1=CC=C(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C=[NH+]1	REAL300012520138	1	44	0.0	-68.34	376.57	7.08	-61.26
COCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012520139	1	51	0.0	-67.44	404.78	7.10	-60.34
CC(C)C(C)(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520140	1	46	0.0	-65.29	345.33	6.01	-59.28
CN(C)C1=CC=C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012520141	1	42	0.0	-76.80	332.74	8.15	-68.65
CN(C)C1=CC=C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012520142	1	45	0.0	-75.36	348.62	7.53	-67.83
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012520143	1	50	0.0	-46.40	396.08	10.69	-35.71
CN(C)C1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300012520144	1	53	0.0	-65.22	406.59	8.31	-56.91
CN(C)C1=CC=C(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012520145	1	50	0.0	-65.45	407.23	8.82	-56.63
CN(C)C1=CC=C(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012520146	1	50	0.0	-67.64	407.83	8.88	-58.76
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=[NH+]1	REAL300012520147	1	51	0.0	-69.07	387.90	7.91	-61.16
CN(C)C1=CC=C(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300012520148	1	53	0.0	-67.32	406.37	8.27	-59.05
CN(C)C1=CC=C(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300012520149	1	53	0.0	-65.74	406.99	8.22	-57.52
CN(C)C1=CC=C(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=[NH+]1	REAL300012520150	1	51	0.0	-48.56	388.07	8.88	-39.68
CN(C)C1=CC=C(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012520151	1	51	0.0	-73.29	385.16	8.85	-64.44
COC1=CC=C(CC(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1	REAL300012520152	1	51	0.0	-67.86	414.14	7.33	-60.53
C=CCSCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520153	1	45	0.0	-64.08	384.05	6.92	-57.16
CN(C)C1=CC=C(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C=[NH+]1	REAL300012520154	1	48	0.0	-67.69	406.82	8.44	-59.25
CN(C)C1=CC=C(CNC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C=[NH+]1	REAL300012520155	1	51	0.0	-79.50	424.48	8.09	-71.41
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012520156	1	46	0.0	-62.20	351.75	7.69	-54.51
COC1(C(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])CCC1	REAL300012520157	1	48	0.0	-62.11	374.48	4.62	-57.49
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C=[NH+]1	REAL300012520158	1	50	0.0	-68.24	388.77	8.04	-60.20
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C=[NH+]1	REAL300012520159	1	51	0.0	-69.28	393.72	9.20	-60.08
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C=[NH+]1	REAL300012520160	1	44	0.0	-74.58	360.77	6.59	-67.99
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=[NH+]1	REAL300012520162	1	56	0.0	-67.67	438.61	9.41	-58.26
CC(C)C1=CC=C(C(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1	REAL300012520163	1	53	0.0	-67.01	423.39	9.06	-57.95
CN(C)C1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300012520164	1	41	0.0	-70.80	331.91	7.03	-63.77
CN(C)C1=CC=C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=[NH+]1	REAL300012520165	1	43	0.0	-45.40	340.96	7.71	-37.69
CN(C)C1=CC=C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C=[NH+]1	REAL300012520166	1	47	0.0	-74.94	362.44	7.54	-67.40
CCOC1=CC=C(C(NC(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1	REAL300012520167	1	51	0.0	-67.11	413.53	7.35	-59.76
CN(C)C1=CC=C(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C=[NH+]1	REAL300012520168	1	51	0.0	-75.29	382.93	9.62	-65.67
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C=[NH+]1	REAL300012520169	1	51	0.0	-68.74	404.82	8.96	-59.78
CN(C)C1=CC=C(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012520170	1	51	0.0	-71.01	404.89	8.17	-62.84
CN(C)C1=CC=C(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C=[NH+]1	REAL300012520171	1	47	0.0	-70.54	398.21	8.04	-62.50
CC(C)CCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520172	1	49	0.0	-65.15	388.11	7.05	-58.10
CN(C)C1=CC=C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=[NH+]1	REAL300012520173	1	48	0.0	-48.61	372.27	8.43	-40.18
CN(C)C1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C=[NH+]1	REAL300012520174	1	48	0.0	-67.56	380.08	5.02	-62.54
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C1	REAL300012520175	1	45	0.0	-69.76	370.55	7.86	-61.90
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C=[NH+]1	REAL300012520176	1	48	0.0	-73.04	362.98	7.89	-65.15
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C=[NH+]1	REAL300012520177	1	45	0.0	-70.31	349.15	6.97	-63.34
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=[NH+]1	REAL300012520178	1	48	0.0	-70.39	371.29	7.32	-63.07
CN(C)C1=CC=C(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012520179	1	50	0.0	-67.49	395.31	9.98	-57.51
CN(C)C1=CC=C(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C=[NH+]1	REAL300012520180	1	54	0.0	-48.51	401.35	9.41	-39.10
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCC2)C=[NH+]1	REAL300012520181	1	47	0.0	-67.76	369.33	6.71	-61.05
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520182	1	44	0.0	-65.73	356.53	4.33	-61.40
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520183	1	44	0.0	-73.33	350.56	6.72	-66.61
CN(C)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=[NH+]1	REAL300012520184	1	47	0.0	-52.53	383.20	9.84	-42.69
CN(C)C1=CC=C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C=[NH+]1	REAL300012520185	1	47	0.0	-48.76	366.21	7.74	-41.02
CN(C)C1=CC=C(CNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C=[NH+]1	REAL300012520186	1	48	0.0	-50.68	390.63	9.49	-41.19
CN(C)C1=CC=C(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C=[NH+]1	REAL300012520187	1	44	0.0	-72.74	348.47	8.01	-64.73
CN(C)C1=CC=C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C=[NH+]1	REAL300012520188	1	41	0.0	-74.35	338.07	7.08	-67.27
CN(C)C1=CC=C(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=[NH+]1	REAL300012520189	1	47	0.0	-68.40	392.38	8.07	-60.33
CN(C)C1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=[NH+]1	REAL300012520190	1	44	0.0	-67.59	376.79	6.90	-60.69
CN(C)C1=CC=C(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=[NH+]1	REAL300012520191	1	44	0.0	-64.21	354.23	7.59	-56.62
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C=[NH+]1	REAL300012520192	1	48	0.0	-71.28	389.87	7.77	-63.51
CN(C)C1=CC=C(CNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300012520193	1	52	0.0	-69.77	413.66	9.41	-60.36
CN(C)C1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=[NH+]1	REAL300012520194	1	44	0.0	-67.59	376.79	6.90	-60.69
CN(C)C1=CC=C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012520195	1	48	0.0	-73.53	365.59	8.13	-65.40
COCCCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520196	1	47	0.0	-64.51	382.71	4.83	-59.68
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300012520197	1	46	0.0	-61.68	359.28	7.97	-53.71
CCOCC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012520198	1	44	0.0	-68.69	361.26	4.19	-64.50
CN(C)C1=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=[NH+]1	REAL300012520199	1	49	0.0	-65.13	377.24	7.49	-57.64
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCO2)C=[NH+]1	REAL300012520200	1	48	0.0	-69.18	376.38	5.19	-63.99
CN(C)C1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=[NH+]1	REAL300012520201	1	48	0.0	-69.38	381.65	8.23	-61.15
C[C@H]1OCCN(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)[C@@H]1C(=O)[O-]	REAL300012520202	1	45	0.0	-74.08	349.12	6.53	-67.55
CN(C)C1=CC=C(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012520203	1	47	0.0	-64.73	368.80	7.86	-56.87
CN(C)C1=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=[NH+]1	REAL300012520204	1	41	0.0	-66.41	347.16	5.55	-60.86
CN(C)C1=CC=C(CNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C=[NH+]1	REAL300012520205	1	58	0.0	-69.91	420.08	9.09	-60.82
CN(C)C1=CC=C(CNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C=[NH+]1	REAL300012520206	1	50	0.0	-69.76	410.40	8.39	-61.37
CN(C)C1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C=[NH+]1	REAL300012520207	1	44	0.0	-53.46	364.86	7.98	-45.48
CN(C)C1=CC=C(CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C=[NH+]1	REAL300012520208	1	55	0.0	-74.38	398.67	8.51	-65.87
CN(C)C1=CC=C(CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=[NH+]1	REAL300012520209	1	46	0.0	-68.23	396.90	6.69	-61.54
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C1	REAL300012520210	1	48	0.0	-69.72	379.72	6.98	-62.74
CCC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520211	0	57	0.0	-70.02	420.20	10.45	-59.57
CCC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012520211	1	57	0.0	-70.77	418.99	10.47	-60.30
C=CCOCC(NC(=O)NCC(CC)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012520212	0	56	0.0	-70.14	427.63	8.88	-61.26
C=CCOCC(NC(=O)NCC(CC)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012520212	1	56	0.0	-70.63	426.43	8.95	-61.68
C=CC(C)C(NC(=O)NCC(CC)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012520213	0	55	0.0	-68.33	411.34	10.33	-58.00
C=CC(C)C(NC(=O)NCC(CC)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012520213	1	55	0.0	-69.12	405.39	10.07	-59.05
CCC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520214	0	59	0.0	-71.79	425.98	8.90	-62.89
CCC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012520214	1	59	0.0	-72.83	424.91	8.94	-63.89
CCC(CNC(=O)N1CCC(OC)CC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520215	0	59	0.0	-82.02	419.30	11.41	-70.61
CCC(CNC(=O)N1CCC(OC)CC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012520215	1	59	0.0	-80.88	420.90	11.24	-69.64
CCC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520216	0	59	0.0	-66.62	429.51	9.21	-57.41
CCC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012520216	1	59	0.0	-68.19	424.90	8.97	-59.22
CCC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520217	0	58	0.0	-80.96	411.09	13.00	-67.96
CCC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012520217	1	58	0.0	-78.91	412.24	12.60	-66.31
CCCN(CC(=O)[O-])C(=O)NCC(CC)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520218	0	54	0.0	-53.76	400.58	11.67	-42.09
CCCN(CC(=O)[O-])C(=O)NCC(CC)[N@H+]1CCC2=CC=CC=C2C1	REAL300012520218	1	54	0.0	-47.54	398.38	11.67	-35.87
CCC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520219	0	58	0.0	-56.25	413.13	12.08	-44.17
CCC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012520219	1	58	0.0	-57.98	411.93	12.03	-45.95
CCCN(C(=O)NCC(CC)[N@@H+]1CCC2=CC=CC=C2C1)C(COC)C(=O)[O-]	REAL300012520220	0	61	0.0	-68.51	443.09	12.56	-55.95
CCCN(C(=O)NCC(CC)[N@H+]1CCC2=CC=CC=C2C1)C(COC)C(=O)[O-]	REAL300012520220	1	61	0.0	-69.67	441.75	12.66	-57.01
CCCN(C(=O)NCC(CC)[N@@H+]1CCC2=CC=CC=C2C1)C(CC)C(=O)[O-]	REAL300012520221	0	60	0.0	-58.22	419.14	12.48	-45.74
CCCN(C(=O)NCC(CC)[N@H+]1CCC2=CC=CC=C2C1)C(CC)C(=O)[O-]	REAL300012520221	1	60	0.0	-46.34	425.78	12.45	-33.89
CCC(CNC(=O)NC(C(=O)[O-])C(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520222	0	54	0.0	-69.34	396.84	9.77	-59.57
CCC(CNC(=O)NC(C(=O)[O-])C(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012520222	1	54	0.0	-69.43	397.45	9.74	-59.69
CCC(CNC(=O)N1CCCCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520223	0	55	0.0	-76.39	393.03	11.73	-64.66
CCC(CNC(=O)N1CCCCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012520223	1	55	0.0	-78.96	390.09	12.13	-66.83
CCC(CNC(=O)N1CCSCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520224	0	53	0.0	-79.65	389.54	12.32	-67.33
CCC(CNC(=O)N1CCSCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012520224	1	53	0.0	-77.74	390.38	12.02	-65.72
CCC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520225	0	58	0.0	-72.11	409.48	11.41	-60.70
CCC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012520225	1	58	0.0	-74.76	409.72	10.36	-64.40
CCC(CNC(=O)N1CCCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520226	0	52	0.0	-74.50	381.07	10.78	-63.72
CCC(CNC(=O)N1CCCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012520226	1	52	0.0	-77.16	379.08	11.06	-66.10
CCC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520227	0	55	0.0	-71.09	395.98	10.27	-60.82
CCC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012520227	1	55	0.0	-74.57	395.20	9.29	-65.28
CCC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520228	0	61	0.0	-72.16	419.21	11.97	-60.19
CCC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012520228	1	61	0.0	-73.48	415.59	12.04	-61.44
CCC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520229	0	58	0.0	-72.25	437.98	12.25	-60.00
CCC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012520229	1	58	0.0	-70.41	438.47	12.24	-58.17
CCC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520230	0	58	0.0	-51.86	435.62	13.94	-37.92
CCC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012520230	1	58	0.0	-52.05	436.23	13.91	-38.14
CCC(CNC(=O)NCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520231	0	45	0.0	-59.87	338.89	7.26	-52.61
CCC(CNC(=O)NCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012520231	1	45	0.0	-59.59	337.80	7.31	-52.28
CCC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520232	0	55	0.0	-70.78	415.98	11.25	-59.53
CCC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012520232	1	55	0.0	-70.12	416.59	11.23	-58.89
CCC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520233	0	55	0.0	-68.75	417.44	11.26	-57.49
CCC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012520233	1	55	0.0	-69.37	416.52	11.31	-58.06
CCC(NC(=O)NCC(CC)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012520234	0	51	0.0	-69.10	379.80	9.17	-59.93
CCC(NC(=O)NCC(CC)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012520234	1	51	0.0	-68.67	380.05	9.23	-59.44
CCC(CNC(=O)NC(C(=O)[O-])C(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520235	0	54	0.0	-69.34	396.84	9.77	-59.57
CCC(CNC(=O)NC(C(=O)[O-])C(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012520235	1	54	0.0	-69.43	397.45	9.74	-59.69
CCC(CNC(=O)N(C)CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012520236	0	48	0.0	-69.94	356.10	10.02	-59.92
CCC(CNC(=O)N(C)CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012520236	1	48	0.0	-70.46	356.32	8.97	-61.49
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C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1CCCCC1	REAL300012520444	0	59	0.0	-68.95	430.62	9.43	-59.52
CC1=CC(C)=CC(C(NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])=C1	REAL300012520445	0	60	0.0	-69.39	437.31	10.98	-58.41
CC1=CC=C(C(NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])C=C1C	REAL300012520446	0	60	0.0	-73.86	433.10	10.79	-63.07
CC1=CC=CC(C(NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])=C1C	REAL300012520447	0	60	0.0	-73.45	424.70	10.60	-62.85
COC1=CC=C(C(NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])C=C1F	REAL300012520448	0	58	0.0	-70.32	429.80	8.98	-61.34
CCCN(CC(=O)[O-])C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520449	0	53	0.0	-46.27	377.99	10.22	-36.05
CC(C(=O)[O-])N(C(=O)NCC(C1CCCCC1)[NH+](C)C)C1CCC1	REAL300012520450	0	57	0.0	-52.29	389.07	10.31	-41.98
CCCN(C(=O)NCC(C1CCCCC1)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012520451	0	60	0.0	-77.97	418.32	11.02	-66.95
CCCN(C(=O)NCC(C1CCCCC1)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012520452	0	59	0.0	-78.32	403.37	11.77	-66.55
CC(C)C(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520453	0	53	0.0	-73.85	370.52	8.08	-65.77
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1CCCCC1	REAL300012520454	0	54	0.0	-85.02	368.39	10.87	-74.15
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCCC1	REAL300012520455	0	54	0.0	-69.47	410.81	10.12	-59.35
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1CCCCC1	REAL300012520456	0	52	0.0	-81.40	368.89	10.74	-70.66
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1CCCCC1	REAL300012520457	0	57	0.0	-71.65	388.13	9.76	-61.89
C[NH+](C)C(CNC(=O)N1CCCC1C(=O)[O-])C1CCCCC1	REAL300012520458	0	51	0.0	-80.00	357.38	9.45	-70.55
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1CCCCC1	REAL300012520459	0	54	0.0	-78.92	374.08	8.79	-70.13
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C1CCCCC1	REAL300012520460	0	60	0.0	-81.00	394.24	10.55	-70.45
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CCCCC1	REAL300012520461	0	57	0.0	-69.92	416.97	10.53	-59.39
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1CCCCC1	REAL300012520462	0	57	0.0	-56.08	414.72	12.29	-43.79
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300012520463	0	54	0.0	-78.05	392.90	10.41	-67.64
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300012520464	0	54	0.0	-73.18	394.67	9.57	-63.61
CC(C)C(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520465	0	53	0.0	-73.85	370.52	8.08	-65.77
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CCCCC1	REAL300012520466	0	57	0.0	-69.92	416.97	10.53	-59.39
CCC(C)C(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520467	0	56	0.0	-68.72	388.66	8.62	-60.10
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1CCCCC1	REAL300012520468	0	54	0.0	-85.02	368.39	10.87	-74.15
CCCC(C)(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520469	0	56	0.0	-69.33	384.71	8.80	-60.53
CC(C)N(CC(=O)[O-])C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520470	0	53	0.0	-78.58	360.51	10.24	-68.34
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1CCCCC1	REAL300012520471	0	51	0.0	-55.95	360.27	9.74	-46.21
C=CCN(CC(=O)[O-])C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520472	0	51	0.0	-46.04	369.30	10.02	-36.02
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520473	0	56	0.0	-46.10	392.65	10.74	-35.36
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CCCCC1	REAL300012520474	0	58	0.0	-73.36	406.43	12.47	-60.89
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1CCCCC1	REAL300012520475	0	54	0.0	-74.52	372.30	8.62	-65.90
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1CCCCC1	REAL300012520476	0	51	0.0	-67.06	386.43	8.72	-58.34
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1CCCCC1	REAL300012520477	0	57	0.0	-71.65	388.13	9.76	-61.89
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C1CCCCC1	REAL300012520478	0	57	0.0	-53.95	431.63	12.86	-41.09
CC(C)N(CC(=O)[O-])C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520479	0	53	0.0	-78.58	360.51	10.24	-68.34
CCCN(CC(=O)[O-])C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520480	0	53	0.0	-46.27	377.99	10.22	-36.05
CC[C@H](C)[C@H](NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520481	0	56	0.0	-72.72	388.20	8.48	-64.24
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1CCCCC1	REAL300012520482	0	54	0.0	-78.92	374.08	8.79	-70.13
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1CCCCC1	REAL300012520483	0	57	0.0	-54.21	421.31	12.42	-41.79
CCC(C)(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520484	0	53	0.0	-69.12	363.21	8.03	-61.09
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1CCCCC1	REAL300012520485	0	58	0.0	-70.57	412.75	10.81	-59.76
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CCCCC1	REAL300012520486	0	54	0.0	-73.83	405.51	9.73	-64.10
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300012520487	0	57	0.0	-73.68	402.94	10.32	-63.36
CCCCCCC(C)(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520488	0	65	0.0	-69.51	449.21	11.12	-58.39
CN(C(=O)NCC(C1CCCCC1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012520489	0	60	0.0	-75.19	426.08	12.61	-62.58
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCCC1	REAL300012520490	0	54	0.0	-69.47	410.81	10.12	-59.35
C[NH+](C)C(CNC(=O)N1CCOCC1C(=O)[O-])C1CCCCC1	REAL300012520491	0	52	0.0	-81.74	360.86	8.26	-73.48
CN(C(=O)NCC(C1CCCCC1)[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300012520492	0	60	0.0	-72.92	397.34	11.14	-61.78
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1CCCCC1	REAL300012520493	0	51	0.0	-66.65	365.59	7.99	-58.66
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CCCCC1	REAL300012520494	0	60	0.0	-47.24	437.90	13.24	-34.00
CN(C(=O)NCC(C1CCCCC1)[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012520495	0	57	0.0	-76.77	402.65	11.80	-64.97
COCCN(CC(=O)[O-])C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520496	0	54	0.0	-46.70	387.87	8.64	-38.06
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1CCCCC1	REAL300012520497	0	58	0.0	-78.21	409.82	10.75	-67.46
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012520498	0	51	0.0	-74.91	357.82	9.22	-65.69
C[NH+](C)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012520499	0	54	0.0	-79.74	368.63	10.55	-69.19
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1CCCCC1	REAL300012520500	0	51	0.0	-74.53	357.44	9.41	-65.12
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC1)C1CCCCC1	REAL300012520501	0	51	0.0	-78.08	359.76	8.27	-69.81
C=CCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520502	0	51	0.0	-67.83	371.56	8.13	-59.70
C[NH+](C)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1CCCCC1	REAL300012520503	0	54	0.0	-75.97	374.91	10.14	-65.83
C[NH+](C)C(CNC(=O)N1CCCCCC1C(=O)[O-])C1CCCCC1	REAL300012520504	0	57	0.0	-81.88	381.73	11.03	-70.85
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1CCCCC1	REAL300012520505	0	51	0.0	-66.65	365.59	7.99	-58.66
CCCCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520506	0	56	0.0	-69.29	402.08	9.22	-60.07
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CCCCC1	REAL300012520507	0	60	0.0	-47.24	437.90	13.24	-34.00
C[NH+](C)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1CCCCC1	REAL300012520508	0	54	0.0	-85.28	372.10	10.60	-74.68
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1CCCCC1	REAL300012520509	0	57	0.0	-43.75	392.20	10.85	-32.90
COCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520510	0	51	0.0	-69.31	370.45	5.89	-63.42
CCCCCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520511	0	59	0.0	-69.25	423.57	9.99	-59.26
CCC1CCC(NC(=O)NCC(C2CCCCC2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012520512	0	63	0.0	-74.35	421.32	10.40	-63.95
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1CCCCC1	REAL300012520513	0	58	0.0	-56.65	400.51	9.19	-47.46
CN(C(=O)NCC(C1CCCCC1)[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300012520514	0	57	0.0	-75.89	384.73	10.52	-65.37
CC(C(=O)[O-])N(C(=O)NCC(C1CCCCC1)[NH+](C)C)C1CC1	REAL300012520515	0	54	0.0	-60.36	374.73	9.78	-50.58
CCC(C(=O)[O-])N(C(=O)NCC(C1CCCCC1)[NH+](C)C)C1CC1	REAL300012520516	0	57	0.0	-49.61	395.51	10.90	-38.71
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1CCCCC1	REAL300012520517	0	54	0.0	-74.80	405.54	10.10	-64.70
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1CCCCC1	REAL300012520518	0	54	0.0	-79.49	399.20	9.73	-69.76
C[NH+](C)C(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1CCCCC1	REAL300012520519	0	58	0.0	-57.97	409.23	12.16	-45.81
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C1CCCCC1	REAL300012520520	0	57	0.0	-72.73	431.65	10.91	-61.82
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CCCCC1	REAL300012520521	0	63	0.0	-74.16	438.30	10.90	-63.26
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520522	0	60	0.0	-58.23	427.97	12.76	-45.47
CC1=CC=C(C(NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012520523	0	57	0.0	-68.68	415.96	10.39	-58.29
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CCCCC1	REAL300012520524	0	50	0.0	-64.17	375.00	8.37	-55.80
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CCCCC1	REAL300012520525	0	60	0.0	-70.88	440.71	11.85	-59.03
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)C1CCCCC1	REAL300012520526	0	55	0.0	-68.44	385.77	9.41	-59.03
COCC(C)(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520527	0	54	0.0	-73.76	381.46	7.32	-66.44
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520528	0	57	0.0	-66.36	400.91	9.13	-57.23
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520529	0	56	0.0	-46.10	392.65	10.74	-35.36
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520530	0	63	0.0	-56.38	441.48	13.20	-43.18
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1CCCCC1	REAL300012520531	0	51	0.0	-55.95	360.27	9.74	-46.21
C[NH+](C)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CCCCC1	REAL300012520532	0	53	0.0	-46.58	396.12	10.60	-35.98
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC1)C1CCCCC1	REAL300012520533	0	52	0.0	-73.79	365.46	6.14	-67.65
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1CCCCC1	REAL300012520534	0	60	0.0	-68.81	411.62	9.79	-59.02
CN(C(=O)NCC(C1CCCCC1)[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300012520535	0	61	0.0	-71.23	426.48	10.40	-60.83
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1CCCCC1	REAL300012520536	0	61	0.0	-33.21	422.89	12.63	-20.58
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)C1CCCCC1	REAL300012520537	0	55	0.0	-71.39	379.49	7.22	-64.17
C=CCCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520538	0	54	0.0	-68.15	392.56	9.01	-59.14
C[NH+](C)C(CNC(=O)NC(CF)C(=O)[O-])C1CCCCC1	REAL300012520539	0	47	0.0	-58.58	340.86	6.67	-51.91
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520540	0	60	0.0	-36.83	420.05	12.88	-23.95
CCC(CC)(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520541	0	56	0.0	-68.55	379.07	8.77	-59.78
COC1=CC=C(C(NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012520542	0	58	0.0	-72.66	423.57	8.90	-63.76
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520543	0	56	0.0	-46.08	389.01	11.08	-35.00
CCC(COC)(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520544	0	57	0.0	-79.25	397.61	8.06	-71.19
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520545	0	60	0.0	-66.79	421.18	9.89	-56.90
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CCCCC1	REAL300012520546	0	57	0.0	-74.28	404.59	5.72	-68.56
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1CCCCC1	REAL300012520547	0	54	0.0	-72.56	390.00	9.17	-63.39
COCCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520548	0	54	0.0	-69.43	392.75	6.73	-62.70
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520549	0	59	0.0	-65.77	407.31	11.15	-54.62
C[NH+](C)C(CNC(=O)NC(CC(F)F)C(=O)[O-])C1CCCCC1	REAL300012520550	0	50	0.0	-63.29	368.86	8.21	-55.08
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520551	0	60	0.0	-83.56	410.05	11.56	-72.00
CCCN(C(=O)NCC(C1CCCCC1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012520552	0	56	0.0	-49.70	387.94	10.38	-39.32
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520553	0	60	0.0	-41.06	425.83	12.58	-28.48
CCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012520554	0	60	0.0	-70.69	419.49	11.25	-59.44
COC1CCCC(C(NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])C1	REAL300012520555	0	64	0.0	-83.78	442.49	9.54	-74.24
C[NH+](C)C(CNC(=O)NC(CCF)C(=O)[O-])C1CCCCC1	REAL300012520556	0	50	0.0	-68.37	365.67	7.82	-60.55
COC1(CC(NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012520557	0	61	0.0	-75.73	428.05	8.90	-66.83
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1CCCCC1	REAL300012520558	0	58	0.0	-56.65	400.51	9.19	-47.46
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C1CCCCC1	REAL300012520559	0	60	0.0	-44.22	409.59	11.56	-32.66
C[C@H]1CC[C@@](NC(=O)NCC(C2CCCCC2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012520560	0	60	0.0	-78.33	401.67	10.14	-68.19
COC1=CC=CC(C(NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])=C1	REAL300012520561	0	58	0.0	-75.03	423.58	8.89	-66.14
C[NH+](C)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1CCCCC1	REAL300012520562	0	53	0.0	-66.29	369.81	8.17	-58.12
C[NH+](C)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1CCCCC1	REAL300012520563	0	55	0.0	-52.66	392.02	10.24	-42.42
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012520564	0	51	0.0	-69.63	371.12	9.30	-60.33
COC1=CC=CC([C@H](NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])=C1	REAL300012520565	0	58	0.0	-71.89	424.33	8.88	-63.01
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C2CCCCC2)[NH+](C)C)C1	REAL300012520566	0	60	0.0	-83.38	423.09	11.47	-71.91
COC1=CC=CC(CC(NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])=C1	REAL300012520567	0	61	0.0	-72.88	446.52	9.86	-63.02
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1CCCCC1	REAL300012520568	0	63	0.0	-72.37	416.41	10.64	-61.73
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1CCCCC1	REAL300012520569	0	52	0.0	-87.05	365.76	10.25	-76.80
COC1CN(C(=O)NCC(C2CCCCC2)[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012520570	0	58	0.0	-82.93	408.24	9.12	-73.81
C[NH+](C)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1CCCCC1	REAL300012520571	0	61	0.0	-67.30	429.78	8.45	-58.85
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1CCCCC1	REAL300012520572	0	56	0.0	-73.76	388.76	8.75	-65.01
C=C(Cl)CC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520573	0	51	0.0	-69.85	387.51	8.75	-61.10
C=C(C)CC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520574	0	54	0.0	-69.33	392.93	8.87	-60.46
C[NH+](C)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1CCCCC1	REAL300012520575	0	55	0.0	-87.71	378.95	10.96	-76.75
C[NH+](C)C(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1CCCCC1	REAL300012520576	0	60	0.0	-67.61	426.52	10.77	-56.84
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300012520577	0	51	0.0	-78.02	369.57	9.94	-68.08
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300012520578	0	51	0.0	-73.95	364.14	9.69	-64.26
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2CCCCC2)[NH+](C)C)C1	REAL300012520579	0	52	0.0	-80.50	371.52	9.48	-71.02
C[NH+](C)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1CCCCC1	REAL300012520580	0	61	0.0	-68.46	425.80	8.99	-59.47
CC(C)C[C@H](NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520581	0	56	0.0	-73.54	397.52	8.98	-64.56
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1CCCCC1	REAL300012520582	0	58	0.0	-78.38	403.57	7.47	-70.91
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300012520583	0	54	0.0	-73.18	394.67	9.57	-63.61
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1CCCCC1	REAL300012520584	0	54	0.0	-72.56	390.00	9.17	-63.39
C[NH+](C)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1CCCCC1	REAL300012520585	0	53	0.0	-71.04	403.51	7.69	-63.35
CC(C)CCCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520586	0	62	0.0	-68.38	440.30	10.53	-57.85
C[NH+](C)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C1CCCCC1	REAL300012520587	0	58	0.0	-72.48	414.82	7.93	-64.55
CSCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520588	0	51	0.0	-66.63	382.54	8.08	-58.55
COC[C@H](NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520589	0	51	0.0	-68.72	370.53	5.75	-62.97
C[NH+](C)C(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CCCCC1	REAL300012520590	0	57	0.0	-72.98	423.27	10.65	-62.33
CCC(C)CC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520591	0	59	0.0	-69.53	416.00	9.62	-59.91
C=CCCCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520592	0	57	0.0	-67.89	414.05	9.79	-58.10
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CCCCC1	REAL300012520593	0	57	0.0	-70.60	420.91	11.35	-59.25
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C1CCCCC1	REAL300012520594	0	60	0.0	-72.56	435.85	11.79	-60.77
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1CCCCC1	REAL300012520595	0	52	0.0	-81.40	368.89	10.74	-70.66
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300012520596	0	57	0.0	-73.68	402.94	10.32	-63.36
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012520597	0	51	0.0	-74.91	357.82	9.22	-65.69
CCCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520598	0	53	0.0	-68.39	379.75	8.44	-59.95
CC(C)[C@@H](NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520599	0	53	0.0	-66.83	373.76	8.17	-58.66
C[NH+](C)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1CCCCC1	REAL300012520600	0	55	0.0	-83.79	378.47	11.17	-72.62
CCN(C(=O)NCC(C1CCCCC1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012520601	0	56	0.0	-78.79	378.89	10.29	-68.50
CCCN(C(=O)NCC(C1CCCCC1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012520602	0	56	0.0	-49.70	387.94	10.38	-39.32
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCCCC1	REAL300012520603	0	50	0.0	-72.45	373.44	9.76	-62.69
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCCCC1	REAL300012520604	0	50	0.0	-72.45	373.44	9.76	-62.69
CN(C(=O)NCC(C1CCCCC1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012520605	0	53	0.0	-78.30	364.28	9.51	-68.79
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1CCCCC1	REAL300012520606	0	51	0.0	-74.53	357.44	9.41	-65.12
C[NH+](C)C(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1CCCCC1	REAL300012520607	0	63	0.0	-57.76	444.06	7.77	-49.99
C[NH+](C)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012520608	0	52	0.0	-77.12	369.37	5.78	-71.34
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC(C2CCCCC2)[NH+](C)C)CC1	REAL300012520609	1	67	0.0	-57.42	469.25	7.64	-49.78
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520610	0	58	0.0	-78.68	408.26	12.20	-66.48
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC(C2CCCCC2)[NH+](C)C)[C@H]1C(=O)[O-]	REAL300012520611	0	61	0.0	-61.91	421.45	12.80	-49.11
CCC[C@@H](NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520612	0	53	0.0	-77.84	378.23	9.09	-68.75
C[NH+](C)C(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C1CCCCC1	REAL300012520613	0	59	0.0	-67.58	413.27	10.78	-56.80
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300012520614	0	54	0.0	-78.05	392.90	10.41	-67.64
C[NH+](C)C(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1CCCCC1	REAL300012520615	0	59	0.0	-76.60	435.12	9.76	-66.84
C=CCCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520616	0	54	0.0	-68.15	392.56	9.01	-59.14
C[NH+](C)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1CCCCC1	REAL300012520617	0	53	0.0	-70.84	403.26	7.58	-63.26
C[NH+](C)C(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1CCCCC1	REAL300012520618	0	54	0.0	-64.86	423.14	9.33	-55.53
C[NH+](C)C(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1CCCCC1	REAL300012520619	0	54	0.0	-92.66	387.74	7.15	-85.51
CN1CC(C(=O)[O-])N(C(=O)NCC(C2CCCCC2)[NH+](C)C)CC1=O	REAL300012520620	0	55	0.0	-72.08	387.36	8.34	-63.74
C[NH+](C)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1CCCCC1	REAL300012520621	0	54	0.0	-82.69	375.35	10.15	-72.54
CC(C)[C@H](NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520622	0	53	0.0	-68.23	371.36	7.83	-60.40
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300012520623	0	54	0.0	-68.31	394.20	9.60	-58.71
C[NH+](C)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1CCCCC1	REAL300012520624	0	57	0.0	-72.85	408.48	8.97	-63.88
CCC[C@H](NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520625	0	53	0.0	-66.98	379.34	8.28	-58.70
CCN(C(=O)NCC(C1CCCCC1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012520626	0	53	0.0	-76.87	367.62	10.16	-66.71
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1CCCCC1	REAL300012520627	0	57	0.0	-43.75	392.20	10.85	-32.90
CC(CN(C)C(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520628	0	53	0.0	-79.68	371.37	9.44	-70.24
CC[C@H](C)[C@H](NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520629	0	56	0.0	-72.72	388.20	8.48	-64.24
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520630	0	53	0.0	-69.64	370.23	9.74	-59.90
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1CCCCC1	REAL300012520631	0	55	0.0	-83.07	390.30	5.44	-77.63
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520632	0	63	0.0	-74.36	441.51	8.93	-65.43
CC1CCC(NC(=O)NCC(C2CCCCC2)[NH+](C)C)(C(=O)[O-])C1	REAL300012520633	0	57	0.0	-72.01	394.70	9.29	-62.72
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1CCCCC1	REAL300012520634	0	60	0.0	-72.30	402.57	9.91	-62.39
COCCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520635	0	54	0.0	-69.43	392.75	6.73	-62.70
CN(C(=O)NCC(C1CCCCC1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012520636	0	60	0.0	-75.19	426.08	12.61	-62.58
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CCCCC1	REAL300012520637	0	57	0.0	-79.16	395.96	9.97	-69.19
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1CCCCC1	REAL300012520638	0	54	0.0	-75.97	382.27	8.87	-67.10
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520639	0	63	0.0	-79.16	440.00	9.58	-69.58
C[NH+](C)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012520640	0	52	0.0	-86.42	368.13	5.89	-80.53
C[NH+](C)C(CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1CCCCC1	REAL300012520641	0	62	0.0	-59.09	436.50	13.26	-45.83
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1CCCCC1	REAL300012520642	0	55	0.0	-67.59	385.40	6.60	-60.99
C[NH+](C)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1CCCCC1	REAL300012520643	0	55	0.0	-85.13	379.11	10.66	-74.47
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1CCCCC1	REAL300012520644	0	58	0.0	-77.83	426.63	9.65	-68.18
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1CCCCC1	REAL300012520645	0	53	0.0	-80.85	372.11	8.14	-72.71
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2CCCCC2)[NH+](C)C)C1	REAL300012520646	0	57	0.0	-84.54	389.23	11.45	-73.09
CC(C1=CC=CC=C1)C(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520647	0	60	0.0	-67.39	431.95	10.89	-56.50
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CCCCC1	REAL300012520648	0	61	0.0	-72.99	430.49	10.71	-62.28
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1CCCCC1	REAL300012520649	0	54	0.0	-73.32	378.34	8.47	-64.85
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1CCCCC1	REAL300012520650	0	67	0.0	-78.63	452.48	10.43	-68.20
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1CCCCC1	REAL300012520651	0	60	0.0	-68.81	411.62	9.79	-59.02
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1CCCCC1	REAL300012520652	0	54	0.0	-73.32	378.34	8.47	-64.85
CC1CCN(C(=O)NCC(C2CCCCC2)[NH+](C)C)C1C(=O)[O-]	REAL300012520653	0	54	0.0	-81.62	378.73	9.76	-71.86
C=CCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520654	0	51	0.0	-67.83	371.56	8.13	-59.70
C[NH+](C)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1CCCCC1	REAL300012520655	0	61	0.0	-76.85	431.93	8.69	-68.16
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1CCCCC1	REAL300012520656	0	61	0.0	-39.32	402.36	11.90	-27.42
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1CCCCC1	REAL300012520657	0	61	0.0	-74.27	409.76	8.67	-65.60
CC1=CC=CC2=C1CCN(C(=O)NCC(C1CCCCC1)[NH+](C)C)C2C(=O)[O-]	REAL300012520658	0	61	0.0	-52.88	427.63	12.72	-40.16
C[NH+](C)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1CCCCC1	REAL300012520659	0	55	0.0	-51.60	380.63	10.60	-41.00
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CCCCC1	REAL300012520660	0	61	0.0	-72.99	430.49	10.71	-62.28
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCCCC1	REAL300012520661	0	57	0.0	-79.16	423.68	10.82	-68.34
COC1CC(NC(=O)NCC(C2CCCCC2)[NH+](C)C)(C(=O)[O-])C1	REAL300012520662	0	55	0.0	-73.45	391.36	7.13	-66.32
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1CCCCC1	REAL300012520663	0	51	0.0	-72.21	368.18	8.29	-63.92
CO[C@H]1C[C@](NC(=O)NCC(C2CCCCC2)[NH+](C)C)(C(=O)[O-])C1	REAL300012520664	0	55	0.0	-73.43	391.34	7.19	-66.24
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1CCCCC1	REAL300012520665	0	54	0.0	-76.21	396.09	9.39	-66.82
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520666	0	57	0.0	-83.18	388.53	10.83	-72.35
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CCCCC1	REAL300012520667	0	50	0.0	-64.17	375.00	8.37	-55.80
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1CCCCC1	REAL300012520668	0	58	0.0	-72.89	410.13	7.19	-65.70
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])COC1)C1CCCCC1	REAL300012520669	0	49	0.0	-67.66	350.50	5.26	-62.40
C[NH+](C)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1CCCCC1	REAL300012520670	0	54	0.0	-74.60	408.02	9.59	-65.01
COCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012520671	0	61	0.0	-68.82	435.69	9.58	-59.24
CC(C)C(C)(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520672	0	56	0.0	-75.57	379.94	8.72	-66.85
C[NH+](C)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012520673	0	52	0.0	-80.71	364.02	10.67	-70.04
C[NH+](C)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012520674	0	55	0.0	-76.52	380.62	10.24	-66.28
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520675	0	60	0.0	-41.06	425.83	12.58	-28.48
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CCCCC1	REAL300012520676	0	63	0.0	-74.16	438.30	10.90	-63.26
C[NH+](C)C(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1CCCCC1	REAL300012520677	0	60	0.0	-71.24	437.54	12.06	-59.18
C[NH+](C)C(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1CCCCC1	REAL300012520678	0	60	0.0	-73.95	439.84	11.36	-62.59
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1CCCCC1	REAL300012520679	0	61	0.0	-75.95	420.95	10.15	-65.80
C[NH+](C)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1CCCCC1	REAL300012520680	0	63	0.0	-68.34	438.33	10.86	-57.48
C[NH+](C)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1CCCCC1	REAL300012520681	0	63	0.0	-74.51	438.54	10.84	-63.67
C[NH+](C)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1CCCCC1	REAL300012520682	0	61	0.0	-51.28	420.02	11.37	-39.91
C[NH+](C)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012520683	0	61	0.0	-77.91	416.15	11.22	-66.69
COC1=CC=C(CC(NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012520684	0	61	0.0	-73.70	445.58	9.83	-63.87
C=CCSCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520685	0	55	0.0	-65.75	416.15	9.57	-56.18
C[NH+](C)C(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C1CCCCC1	REAL300012520686	0	58	0.0	-75.11	437.73	10.91	-64.20
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520687	0	56	0.0	-78.41	381.93	11.04	-67.37
COC1(C(NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012520688	0	58	0.0	-69.49	405.70	7.17	-62.32
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C1CCCCC1	REAL300012520689	0	60	0.0	-81.63	421.00	10.70	-70.93
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C1CCCCC1	REAL300012520690	0	61	0.0	-72.17	426.03	11.69	-60.48
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1CCCCC1	REAL300012520691	0	54	0.0	-73.50	393.72	9.16	-64.34
CC(C)C1=CC=C(C(NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012520693	0	63	0.0	-68.28	454.77	11.64	-56.64
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300012520694	0	51	0.0	-73.95	364.14	9.69	-64.26
C[NH+](C)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1CCCCC1	REAL300012520695	0	53	0.0	-50.84	373.45	10.29	-40.55
C[NH+](C)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1CCCCC1	REAL300012520696	0	57	0.0	-77.75	390.16	10.54	-67.21
CCOC1=CC=C(C(NC(=O)NCC(C2CCCCC2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012520697	0	61	0.0	-72.81	446.14	9.85	-62.96
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1CCCCC1	REAL300012520698	0	61	0.0	-78.58	415.77	12.33	-66.25
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C1CCCCC1	REAL300012520699	0	61	0.0	-79.24	433.59	12.21	-67.03
C[NH+](C)C(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1CCCCC1	REAL300012520700	0	61	0.0	-75.92	437.67	10.78	-65.14
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1CCCCC1	REAL300012520701	0	57	0.0	-72.36	430.22	10.52	-61.84
CC(C)CCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520702	0	59	0.0	-68.53	418.81	9.74	-58.79
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1CCCCC1	REAL300012520703	0	58	0.0	-51.40	404.72	11.08	-40.32
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1CCCCC1	REAL300012520704	0	58	0.0	-72.89	410.13	7.19	-65.70
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2CCCCC2)[NH+](C)C)C1	REAL300012520705	0	55	0.0	-78.15	400.48	10.62	-67.53
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1CCCCC1	REAL300012520706	0	58	0.0	-70.95	396.71	10.15	-60.80
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1CCCCC1	REAL300012520707	0	55	0.0	-79.70	381.04	9.45	-70.25
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1CCCCC1	REAL300012520708	0	58	0.0	-71.67	402.30	9.84	-61.83
CN(C(=O)NCC(C1CCCCC1)[NH+](C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012520709	0	60	0.0	-77.69	423.86	13.28	-64.41
C[NH+](C)C(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1CCCCC1	REAL300012520710	0	64	0.0	-34.94	426.73	11.52	-23.42
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1CCCCC1	REAL300012520711	0	57	0.0	-68.12	394.72	9.09	-59.03
CO[C@H](C)[C@H](NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520712	0	54	0.0	-70.45	386.49	7.50	-62.95
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520713	0	54	0.0	-84.13	379.99	10.00	-74.13
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1CCCCC1	REAL300012520714	0	57	0.0	-56.08	414.72	12.29	-43.79
C[NH+](C)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1CCCCC1	REAL300012520715	0	57	0.0	-39.63	394.19	9.98	-29.65
C[NH+](C)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1CCCCC1	REAL300012520716	0	54	0.0	-81.50	384.29	10.52	-70.98
C[NH+](C)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1CCCCC1	REAL300012520717	0	51	0.0	-80.65	369.51	9.72	-70.93
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCCCC1	REAL300012520718	0	57	0.0	-79.16	423.68	10.82	-68.34
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1CCCCC1	REAL300012520719	0	54	0.0	-74.12	407.61	9.54	-64.58
C[NH+](C)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1CCCCC1	REAL300012520720	0	54	0.0	-68.16	386.62	10.09	-58.07
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1CCCCC1	REAL300012520721	0	58	0.0	-74.13	421.78	10.29	-63.84
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1CCCCC1	REAL300012520722	0	54	0.0	-74.12	407.61	9.54	-64.58
C[NH+](C)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012520723	0	58	0.0	-77.54	395.87	10.81	-66.73
COCCCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520724	0	57	0.0	-68.85	414.25	7.50	-61.35
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300012520725	0	56	0.0	-65.94	390.96	10.59	-55.35
CCOCC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300012520726	0	54	0.0	-70.39	392.78	6.88	-63.51
C[NH+](C)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1CCCCC1	REAL300012520727	0	59	0.0	-75.21	409.64	10.16	-65.05
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C1CCCCC1	REAL300012520728	0	58	0.0	-72.97	408.20	8.82	-64.15
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1CCCCC1	REAL300012520729	0	58	0.0	-70.57	412.75	10.81	-59.76
C[C@H]1OCCN(C(=O)NCC(C2CCCCC2)[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012520730	0	55	0.0	-78.93	382.11	8.59	-70.34
C[NH+](C)C(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012520731	0	57	0.0	-77.53	400.81	10.64	-66.89
C[NH+](C)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1CCCCC1	REAL300012520732	0	51	0.0	-70.94	379.93	8.18	-62.76
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1CCCCC1	REAL300012520733	0	54	0.0	-57.04	396.38	10.43	-46.61
C[NH+](C)C(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CCCCC1	REAL300012520734	0	65	0.0	-77.43	432.34	11.07	-66.36
C[NH+](C)C(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1CCCCC1	REAL300012520735	0	56	0.0	-75.38	428.64	9.29	-66.09
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2CCCCC2)[NH+](C)C)C1	REAL300012520736	0	58	0.0	-76.49	412.77	9.35	-67.14
CC(C)C[C@H](NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520737	0	53	0.0	-62.79	382.11	7.42	-55.37
CC(C)C[C@H](NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520737	1	53	0.0	-66.39	376.69	7.60	-58.79
C=CCOCC(NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520738	0	52	0.0	-65.39	390.60	5.89	-59.50
C=CCOCC(NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520738	1	52	0.0	-64.45	384.88	6.48	-57.97
C=CC(C)C(NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520739	0	51	0.0	-67.43	368.63	6.97	-60.46
C=CC(C)C(NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520739	1	51	0.0	-62.83	368.44	7.31	-55.52
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+]1CCCCC1C	REAL300012520740	0	55	0.0	-62.19	390.68	6.09	-56.10
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+]1CCCCC1C	REAL300012520740	1	55	0.0	-66.31	379.39	6.58	-59.73
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[N@@H+]1CCCCC1C	REAL300012520741	0	51	0.0	-59.11	392.24	8.33	-50.78
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[N@H+]1CCCCC1C	REAL300012520741	1	51	0.0	-63.27	387.27	8.33	-54.94
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[N@@H+]1CCCCC1C	REAL300012520742	0	51	0.0	-59.72	402.71	8.75	-50.97
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[N@H+]1CCCCC1C	REAL300012520742	1	51	0.0	-62.91	397.15	8.78	-54.13
COC1CCN(C(=O)NCC(C)[N@@H+]2CCCCC2C)C(C(=O)[O-])C1	REAL300012520743	0	55	0.0	-76.77	381.11	8.87	-67.90
COC1CCN(C(=O)NCC(C)[N@H+]2CCCCC2C)C(C(=O)[O-])C1	REAL300012520743	1	55	0.0	-78.12	381.14	8.36	-69.76
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@@H+]1CCCCC1C	REAL300012520744	0	55	0.0	-61.27	388.11	5.93	-55.34
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@H+]1CCCCC1C	REAL300012520744	1	55	0.0	-62.15	383.48	6.82	-55.33
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520745	0	54	0.0	-74.11	362.04	9.87	-64.24
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520745	1	54	0.0	-75.90	362.11	9.47	-66.43
CC1=CC(C(NC(=O)NCC(C)[N@@H+]2CCCCC2C)C(=O)[O-])=CC=C1F	REAL300012520746	0	54	0.0	-62.47	406.86	8.88	-53.59
CC1=CC(C(NC(=O)NCC(C)[N@H+]2CCCCC2C)C(=O)[O-])=CC=C1F	REAL300012520746	1	54	0.0	-62.45	400.68	8.94	-53.51
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)[N@@H+]1CCCCC1C	REAL300012520747	0	56	0.0	-63.48	415.51	8.05	-55.43
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)[N@H+]1CCCCC1C	REAL300012520747	1	56	0.0	-64.03	409.70	8.65	-55.38
CC1=CC(C(NC(=O)NCC(C)[N@@H+]2CCCCC2C)C(=O)[O-])=CC(C)=C1	REAL300012520748	0	57	0.0	-65.05	422.61	9.47	-55.58
CC1=CC(C(NC(=O)NCC(C)[N@H+]2CCCCC2C)C(=O)[O-])=CC(C)=C1	REAL300012520748	1	57	0.0	-68.14	417.40	9.53	-58.61
CC1=CC=C(C(NC(=O)NCC(C)[N@@H+]2CCCCC2C)C(=O)[O-])C=C1C	REAL300012520749	0	57	0.0	-66.05	418.54	9.39	-56.66
CC1=CC=C(C(NC(=O)NCC(C)[N@H+]2CCCCC2C)C(=O)[O-])C=C1C	REAL300012520749	1	57	0.0	-65.85	412.41	9.45	-56.40
COC1=CC=C(C(NC(=O)NCC(C)[N@@H+]2CCCCC2C)C(=O)[O-])C=C1Cl	REAL300012520750	0	55	0.0	-64.22	425.27	8.06	-56.16
COC1=CC=C(C(NC(=O)NCC(C)[N@H+]2CCCCC2C)C(=O)[O-])C=C1Cl	REAL300012520750	1	55	0.0	-65.59	419.49	8.09	-57.50
CC1=CC=CC(C(NC(=O)NCC(C)[N@@H+]2CCCCC2C)C(=O)[O-])=C1C	REAL300012520751	0	57	0.0	-65.05	410.67	9.28	-55.77
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CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCCC1C	REAL300012520765	0	51	0.0	-63.43	379.09	8.17	-55.26
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CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520766	0	54	0.0	-64.89	402.03	9.08	-55.81
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CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520768	0	51	0.0	-74.37	353.79	9.04	-65.33
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CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCCCC1C	REAL300012520770	0	53	0.0	-42.22	378.30	9.12	-33.10
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1CCCCC1C	REAL300012520770	1	53	0.0	-48.70	371.52	9.66	-39.04
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520771	0	55	0.0	-75.71	392.15	11.27	-64.44
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520771	1	55	0.0	-70.53	385.41	11.62	-58.91
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[N@@H+]1CCCCC1C	REAL300012520772	0	51	0.0	-67.98	352.21	7.93	-60.05
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[N@H+]1CCCCC1C	REAL300012520772	1	51	0.0	-65.45	351.80	7.30	-58.15
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[N@@H+]1CCCCC1C	REAL300012520773	0	48	0.0	-61.81	371.19	7.29	-54.52
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[N@H+]1CCCCC1C	REAL300012520773	1	48	0.0	-65.06	365.94	7.37	-57.69
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+]1CCCCC1C	REAL300012520774	0	54	0.0	-69.53	373.40	8.26	-61.27
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@H+]1CCCCC1C	REAL300012520774	1	54	0.0	-71.72	367.91	9.04	-62.68
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)[N@@H+]1CCCCC1C	REAL300012520775	0	54	0.0	-47.10	417.29	11.45	-35.65
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)[N@H+]1CCCCC1C	REAL300012520775	1	54	0.0	-48.07	406.06	11.19	-36.88
CC(CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520776	0	58	0.0	-64.72	430.91	9.21	-55.51
CC(CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520776	1	58	0.0	-68.61	426.43	9.16	-59.45
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520777	0	53	0.0	-68.25	369.96	7.75	-60.50
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520777	1	53	0.0	-67.24	366.73	7.68	-59.56
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@@H+]1CCCCC1C	REAL300012520778	0	51	0.0	-68.43	353.39	7.28	-61.15
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@H+]1CCCCC1C	REAL300012520778	1	51	0.0	-71.19	353.39	7.28	-63.91
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[N@@H+]1CCCCC1C	REAL300012520779	0	54	0.0	-47.29	406.97	11.00	-36.29
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[N@H+]1CCCCC1C	REAL300012520779	1	54	0.0	-48.72	395.73	10.73	-37.99
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@@H+]1CCCCC1C	REAL300012520780	0	55	0.0	-66.72	394.02	9.99	-56.73
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@H+]1CCCCC1C	REAL300012520780	1	55	0.0	-69.57	393.73	10.09	-59.48
CC(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)[N@@H+]1CCCCC1C	REAL300012520781	0	51	0.0	-65.70	390.76	8.30	-57.40
CC(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)[N@H+]1CCCCC1C	REAL300012520781	1	51	0.0	-68.00	385.39	9.06	-58.94
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCCC1C	REAL300012520782	0	54	0.0	-63.99	388.31	8.96	-55.03
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCCC1C	REAL300012520782	1	54	0.0	-67.41	382.25	9.58	-57.83
CCCCCCC(C)(NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520783	0	62	0.0	-62.81	433.88	9.43	-53.38
CCCCCCC(C)(NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520783	1	62	0.0	-62.84	428.39	10.17	-52.67
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520784	0	57	0.0	-68.06	402.00	11.72	-56.34
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520784	1	57	0.0	-66.73	405.11	11.12	-55.61
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@@H+]1CCCCC1C	REAL300012520785	0	51	0.0	-61.98	396.47	8.78	-53.20
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@H+]1CCCCC1C	REAL300012520785	1	51	0.0	-60.59	390.52	9.32	-51.27
CC(CNC(=O)N1CCOCC1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520786	0	49	0.0	-71.33	344.91	6.54	-64.79
CC(CNC(=O)N1CCOCC1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520786	1	49	0.0	-73.32	339.57	6.64	-66.68
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[N@@H+]1CCCCC1C	REAL300012520787	0	57	0.0	-71.72	376.14	10.28	-61.44
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[N@H+]1CCCCC1C	REAL300012520787	1	57	0.0	-72.92	377.07	9.70	-63.22
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520788	0	57	0.0	-44.69	423.70	11.67	-33.02
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[N@H+]1CCCCC1C	REAL300012520788	1	57	0.0	-51.22	412.53	11.52	-39.70
CC(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCCC1C	REAL300012520789	0	54	0.0	-65.25	379.86	10.34	-54.91
CC(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCCC1C	REAL300012520789	1	54	0.0	-69.72	388.97	10.44	-59.28
COCCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCCCC1C	REAL300012520790	0	51	0.0	-49.90	373.30	7.76	-42.14
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CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)[N@@H+]1CCCCC1C	REAL300012520791	0	55	0.0	-71.90	394.58	9.30	-62.60
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)[N@H+]1CCCCC1C	REAL300012520791	1	55	0.0	-67.92	389.10	9.83	-58.09
CC(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520792	0	51	0.0	-75.74	348.40	9.67	-66.07
CC(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520792	1	51	0.0	-73.78	347.76	9.12	-64.66
CC(CNC(=O)N1CCCC1(C)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520793	0	51	0.0	-69.01	359.72	8.34	-60.67
CC(CNC(=O)N1CCCC1(C)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520793	1	51	0.0	-68.87	354.12	9.14	-59.73
CC(CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520794	0	58	0.0	-76.07	436.14	9.02	-67.05
CC(CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520794	1	58	0.0	-73.07	430.50	9.14	-63.93
CC(CNC(=O)N1CCCCCC1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520795	0	54	0.0	-74.79	367.87	9.56	-65.23
CC(CNC(=O)N1CCCCCC1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520795	1	54	0.0	-75.94	361.82	9.57	-66.37
CCCCC(NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520796	0	53	0.0	-65.08	386.80	7.65	-57.43
CCCCC(NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520796	1	53	0.0	-66.07	381.02	8.30	-57.77
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520797	0	57	0.0	-44.69	423.70	11.67	-33.02
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CC(CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520860	0	57	0.0	-61.91	422.01	9.71	-52.20
CC(CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520860	1	57	0.0	-61.97	416.55	10.43	-51.54
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)[N@@H+]1CCCCC1C	REAL300012520861	0	56	0.0	-61.70	416.30	9.58	-52.12
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)[N@H+]1CCCCC1C	REAL300012520861	1	56	0.0	-72.18	410.97	9.70	-62.48
COC1CN(C(=O)NCC(C)[N@@H+]2CCCCC2C)C(C)(C(=O)[O-])C1	REAL300012520862	0	55	0.0	-70.37	392.36	7.63	-62.74
COC1CN(C(=O)NCC(C)[N@H+]2CCCCC2C)C(C)(C(=O)[O-])C1	REAL300012520862	1	55	0.0	-73.73	387.43	8.13	-65.60
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520863	0	58	0.0	-63.38	414.58	6.97	-56.41
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520863	1	58	0.0	-65.23	405.48	8.21	-57.02
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@@H+]1CCCCC1C	REAL300012520864	0	53	0.0	-63.97	373.44	7.25	-56.72
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@H+]1CCCCC1C	REAL300012520864	1	53	0.0	-67.78	366.27	7.83	-59.95
C=C(Cl)CC(NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520865	0	48	0.0	-64.22	372.92	7.11	-57.11
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C=C(C)CC(NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520866	0	51	0.0	-63.60	376.76	7.32	-56.28
C=C(C)CC(NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520866	1	51	0.0	-64.70	372.27	7.34	-57.36
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[N@@H+]1CCCCC1C	REAL300012520867	0	52	0.0	-78.46	362.72	9.42	-69.04
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[N@H+]1CCCCC1C	REAL300012520867	1	52	0.0	-77.29	356.88	10.05	-67.24
CC(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520868	0	57	0.0	-62.60	411.68	9.26	-53.34
CC(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520868	1	57	0.0	-67.22	406.34	9.41	-57.81
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520869	0	48	0.0	-67.39	350.98	7.89	-59.50
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520869	1	48	0.0	-65.68	356.95	7.62	-58.06
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520870	0	48	0.0	-71.65	343.62	8.14	-63.51
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520870	1	48	0.0	-68.71	343.69	8.14	-60.57
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@@H+]2CCCCC2C)C1	REAL300012520871	0	49	0.0	-70.86	356.58	8.40	-62.46
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@H+]2CCCCC2C)C1	REAL300012520871	1	49	0.0	-72.90	348.51	8.67	-64.23
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520872	0	58	0.0	-67.49	410.83	7.61	-59.88
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520872	1	58	0.0	-65.65	409.02	6.97	-58.68
CC(C)C[C@H](NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520873	0	53	0.0	-62.79	382.11	7.42	-55.37
CC(C)C[C@H](NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520873	1	53	0.0	-66.39	376.69	7.60	-58.79
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+]1CCCCC1C	REAL300012520874	0	55	0.0	-62.19	390.68	6.09	-56.10
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+]1CCCCC1C	REAL300012520874	1	55	0.0	-66.31	379.39	6.58	-59.73
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCCC1C	REAL300012520875	0	51	0.0	-63.43	379.09	8.17	-55.26
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCCC1C	REAL300012520875	1	51	0.0	-66.23	374.19	8.85	-57.38
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520876	0	51	0.0	-67.02	375.94	7.48	-59.54
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520876	1	51	0.0	-67.22	370.28	8.32	-58.90
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520877	0	50	0.0	-62.07	388.16	6.32	-55.75
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520877	1	50	0.0	-68.25	383.59	6.29	-61.96
CC(C)CCCC(NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520878	0	59	0.0	-65.10	425.87	8.96	-56.14
CC(C)CCCC(NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520878	1	59	0.0	-66.51	420.32	9.52	-56.99
CC(CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520879	0	57	0.0	-67.52	431.56	9.52	-58.00
CC(CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520879	1	57	0.0	-66.72	425.29	10.19	-56.53
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520880	0	55	0.0	-61.81	397.03	6.98	-54.83
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520880	1	55	0.0	-65.39	391.79	7.73	-57.66
CSCC(NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520881	0	48	0.0	-62.13	367.51	6.45	-55.68
CSCC(NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520881	1	48	0.0	-59.70	361.06	7.15	-52.55
COC[C@H](NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520882	0	48	0.0	-66.07	355.68	4.29	-61.78
COC[C@H](NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520882	1	48	0.0	-67.17	346.86	4.94	-62.23
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520883	0	54	0.0	-67.12	408.65	9.15	-57.97
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520883	1	54	0.0	-64.45	403.01	9.26	-55.19
CCC(C)CC(NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520884	0	56	0.0	-65.44	400.74	8.07	-57.37
CCC(C)CC(NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520884	1	56	0.0	-63.91	395.31	8.68	-55.23
C=CCCCC(NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520885	0	54	0.0	-62.54	399.46	8.16	-54.38
C=CCCCC(NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520885	1	54	0.0	-66.17	393.83	8.87	-57.30
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520886	0	54	0.0	-63.29	408.44	9.15	-54.14
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520886	1	54	0.0	-66.49	400.26	9.81	-56.68
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)[N@@H+]1CCCCC1C	REAL300012520887	0	57	0.0	-68.52	419.73	10.35	-58.17
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)[N@H+]1CCCCC1C	REAL300012520887	1	57	0.0	-69.11	414.45	10.43	-58.68
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520888	0	49	0.0	-74.42	354.10	9.22	-65.20
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520888	1	49	0.0	-74.16	348.31	9.17	-64.99
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCCC1C	REAL300012520889	0	54	0.0	-63.99	388.31	8.96	-55.03
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCCC1C	REAL300012520889	1	54	0.0	-67.41	382.25	9.58	-57.83
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520890	0	52	0.0	-77.95	358.53	9.64	-68.31
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520890	1	52	0.0	-78.80	359.22	9.60	-69.20
CCN(C(=O)NCC(C)[N@@H+]1CCCCC1C)C(C)(C)C(=O)[O-]	REAL300012520891	0	53	0.0	-66.19	368.90	8.76	-57.43
CCN(C(=O)NCC(C)[N@H+]1CCCCC1C)C(C)(C)C(=O)[O-]	REAL300012520891	1	53	0.0	-71.52	358.15	9.43	-62.09
CCCN(C(=O)NCC(C)[N@@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300012520892	0	53	0.0	-40.41	371.59	9.62	-30.79
CCCN(C(=O)NCC(C)[N@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300012520892	1	53	0.0	-42.72	358.54	9.38	-33.34
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+]1CCCCC1C	REAL300012520893	0	47	0.0	-66.38	350.25	7.96	-58.42
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+]1CCCCC1C	REAL300012520893	1	47	0.0	-62.84	346.24	8.70	-54.14
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+]1CCCCC1C	REAL300012520894	0	47	0.0	-66.38	350.25	7.96	-58.42
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+]1CCCCC1C	REAL300012520894	1	47	0.0	-62.84	346.24	8.70	-54.14
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520895	0	60	0.0	-47.66	429.87	6.41	-41.25
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])[N@H+]1CCCCC1C	REAL300012520895	1	60	0.0	-47.06	424.56	6.98	-40.08
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520896	0	49	0.0	-76.08	350.72	4.90	-71.18
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520896	1	49	0.0	-72.12	348.93	4.38	-67.74
CC(CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520897	1	64	0.0	-47.45	455.07	6.28	-41.17
CC(CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])[N@H+]1CCCCC1C	REAL300012520897	1	64	0.0	-52.02	449.89	6.31	-45.71
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)[N@@H+]1CCCCC1C	REAL300012520898	0	55	0.0	-74.22	396.95	11.04	-63.18
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)[N@H+]1CCCCC1C	REAL300012520898	1	55	0.0	-70.25	390.53	10.83	-59.42
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520899	0	58	0.0	-52.07	406.73	11.16	-40.91
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520899	1	58	0.0	-54.89	400.46	11.88	-43.01
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520900	0	56	0.0	-61.78	393.96	9.37	-52.41
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520900	1	56	0.0	-69.95	393.93	9.33	-60.62
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCCC1C	REAL300012520901	0	51	0.0	-65.60	379.86	8.15	-57.45
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCCC1C	REAL300012520901	1	51	0.0	-65.31	374.35	8.24	-57.07
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520902	0	56	0.0	-67.58	420.09	8.12	-59.46
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520902	1	56	0.0	-66.27	413.86	8.17	-58.10
C=CCCC(NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520903	0	51	0.0	-66.45	377.90	7.45	-59.00
C=CCCC(NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520903	1	51	0.0	-64.33	372.74	7.48	-56.85
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520904	0	50	0.0	-59.29	388.01	6.09	-53.20
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520904	1	50	0.0	-70.65	383.38	6.16	-64.49
CC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520905	0	51	0.0	-63.99	403.19	8.62	-55.37
CC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520905	1	51	0.0	-62.53	399.12	8.54	-53.99
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520906	0	51	0.0	-84.01	373.03	5.50	-78.51
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520906	1	51	0.0	-84.59	367.82	5.62	-78.97
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520907	0	52	0.0	-64.95	369.94	7.01	-57.94
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520907	1	52	0.0	-65.48	361.13	7.85	-57.63
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520908	0	51	0.0	-72.24	354.09	9.25	-62.99
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520908	1	51	0.0	-69.28	354.01	8.63	-60.65
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCCC1C	REAL300012520909	0	51	0.0	-68.09	374.85	8.87	-59.22
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCCC1C	REAL300012520909	1	51	0.0	-66.15	371.02	8.82	-57.33
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520910	0	54	0.0	-69.47	389.69	7.58	-61.89
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520910	1	54	0.0	-62.71	388.41	8.12	-54.59
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+]1CCCCC1C	REAL300012520911	0	54	0.0	-49.87	379.13	9.44	-40.43
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@H+]1CCCCC1C	REAL300012520911	1	54	0.0	-45.39	372.44	9.56	-35.83
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520912	0	53	0.0	-68.25	369.96	7.75	-60.50
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520912	1	53	0.0	-67.24	366.73	7.68	-59.56
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[N@@H+]1CCCCC1C	REAL300012520913	0	52	0.0	-74.47	369.80	4.04	-70.43
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[N@H+]1CCCCC1C	REAL300012520913	1	52	0.0	-71.66	371.67	4.14	-67.52
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@@H+]1CCCCC1C	REAL300012520914	0	60	0.0	-69.97	421.47	8.07	-61.90
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@H+]1CCCCC1C	REAL300012520914	1	60	0.0	-68.22	418.56	8.03	-60.19
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[N@@H+]1CCCCC1C	REAL300012520915	0	54	0.0	-71.24	374.90	8.44	-62.80
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[N@H+]1CCCCC1C	REAL300012520915	1	54	0.0	-71.14	373.64	7.86	-63.28
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@@H+]1CCCCC1C	REAL300012520916	0	57	0.0	-71.73	387.43	8.46	-63.27
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@H+]1CCCCC1C	REAL300012520916	1	57	0.0	-71.94	383.90	9.30	-62.64
COCCC(NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520917	0	51	0.0	-67.07	377.26	5.18	-61.89
COCCC(NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520917	1	51	0.0	-64.21	371.25	5.21	-59.00
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520918	0	57	0.0	-68.06	402.00	11.72	-56.34
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520918	1	57	0.0	-66.73	405.11	11.12	-55.61
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@@H+]1CCCCC1C	REAL300012520919	0	54	0.0	-70.39	375.63	8.55	-61.84
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@H+]1CCCCC1C	REAL300012520919	1	54	0.0	-72.69	375.62	8.55	-64.14
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)[N@@H+]1CCCCC1C	REAL300012520920	0	61	0.0	-70.07	428.96	10.50	-59.57
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)[N@H+]1CCCCC1C	REAL300012520920	1	61	0.0	-72.96	423.70	10.60	-62.36
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[N@@H+]1CCCCC1C	REAL300012520921	0	51	0.0	-65.71	372.70	7.15	-58.56
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[N@H+]1CCCCC1C	REAL300012520921	1	51	0.0	-66.15	359.10	8.08	-58.07
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@@H+]1CCCCC1C	REAL300012520922	0	60	0.0	-66.01	427.62	7.46	-58.55
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@H+]1CCCCC1C	REAL300012520922	1	60	0.0	-64.42	418.77	8.07	-56.35
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520923	0	49	0.0	-77.25	353.58	4.23	-73.02
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520923	1	49	0.0	-79.82	347.83	4.54	-75.28
CC(CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520924	0	59	0.0	-54.71	421.76	11.72	-42.99
CC(CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520924	1	59	0.0	-51.82	416.81	11.81	-40.01
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)[N@@H+]1CCCCC1C	REAL300012520925	0	52	0.0	-63.82	370.70	5.05	-58.77
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)[N@H+]1CCCCC1C	REAL300012520925	1	52	0.0	-63.52	365.58	5.74	-57.78
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520926	0	52	0.0	-74.59	359.02	9.20	-65.39
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520926	1	52	0.0	-77.55	364.65	9.17	-68.38
CC(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)[N@@H+]1CCCCC1C	REAL300012520927	0	55	0.0	-74.88	411.66	8.27	-66.61
CC(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)[N@H+]1CCCCC1C	REAL300012520927	1	55	0.0	-75.12	406.26	8.35	-66.77
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[N@@H+]1CCCCC1C	REAL300012520928	0	50	0.0	-74.97	351.72	7.53	-67.44
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[N@H+]1CCCCC1C	REAL300012520928	1	50	0.0	-72.22	353.98	6.83	-65.39
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520929	0	54	0.0	-75.52	370.03	10.05	-65.47
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520929	1	54	0.0	-77.24	364.87	10.14	-67.10
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[N@@H+]1CCCCC1C	REAL300012520930	0	57	0.0	-61.97	416.75	9.47	-52.50
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[N@H+]1CCCCC1C	REAL300012520930	1	57	0.0	-64.17	404.31	9.80	-54.37
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520931	0	58	0.0	-64.56	411.00	9.89	-54.67
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520931	1	58	0.0	-64.31	406.25	10.01	-54.30
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@@H+]1CCCCC1C	REAL300012520932	0	51	0.0	-67.13	363.49	7.01	-60.12
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@H+]1CCCCC1C	REAL300012520932	1	51	0.0	-65.12	358.39	7.07	-58.05
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[N@@H+]1CCCCC1C	REAL300012520933	0	64	0.0	-67.37	431.80	8.99	-58.38
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[N@H+]1CCCCC1C	REAL300012520933	1	64	0.0	-70.54	431.85	8.94	-61.60
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@@H+]1CCCCC1C	REAL300012520934	0	57	0.0	-68.24	396.91	8.34	-59.90
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@H+]1CCCCC1C	REAL300012520934	1	57	0.0	-66.00	391.28	9.13	-56.87
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@@H+]1CCCCC1C	REAL300012520935	0	51	0.0	-67.13	363.49	7.01	-60.12
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@H+]1CCCCC1C	REAL300012520935	1	51	0.0	-65.12	358.39	7.07	-58.05
CC(CNC(=O)N1CCC(C)C1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520936	0	51	0.0	-70.38	358.95	7.91	-62.47
CC(CNC(=O)N1CCC(C)C1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520936	1	51	0.0	-74.41	352.56	8.42	-65.99
CC(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520937	0	58	0.0	-67.27	417.38	7.31	-59.96
CC(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520937	1	58	0.0	-67.13	412.46	7.88	-59.25
CC(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[N@@H+]1CCCCC1C	REAL300012520938	0	58	0.0	-44.41	384.12	9.76	-34.65
CC(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[N@H+]1CCCCC1C	REAL300012520938	1	58	0.0	-45.26	384.09	10.44	-34.82
CC(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)[N@@H+]1CCCCC1C	REAL300012520939	0	58	0.0	-69.85	389.06	7.70	-62.15
CC(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)[N@H+]1CCCCC1C	REAL300012520939	1	58	0.0	-71.39	385.54	7.71	-63.68
CC1=CC=CC2=C1CCN(C(=O)NCC(C)[N@@H+]1CCCCC1C)C2C(=O)[O-]	REAL300012520940	0	58	0.0	-82.19	402.38	11.69	-70.50
CC1=CC=CC2=C1CCN(C(=O)NCC(C)[N@H+]1CCCCC1C)C2C(=O)[O-]	REAL300012520940	1	58	0.0	-52.21	405.99	11.74	-40.47
CC(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520941	0	52	0.0	-48.25	356.90	9.64	-38.61
CC(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520941	1	52	0.0	-40.02	360.33	9.07	-30.95
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520942	0	58	0.0	-64.56	411.00	9.89	-54.67
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520942	1	58	0.0	-64.31	406.25	10.01	-54.30
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520943	0	54	0.0	-69.10	408.40	9.26	-59.84
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520943	1	54	0.0	-71.22	403.02	9.29	-61.93
COC1CC(NC(=O)NCC(C)[N@@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012520944	0	52	0.0	-74.92	373.34	6.40	-68.52
COC1CC(NC(=O)NCC(C)[N@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012520944	1	52	0.0	-66.63	371.96	6.08	-60.55
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[N@@H+]1CCCCC1C	REAL300012520945	0	48	0.0	-64.12	352.35	7.75	-56.37
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[N@H+]1CCCCC1C	REAL300012520945	1	48	0.0	-66.83	345.34	7.44	-59.39
CO[C@H]1C[C@](NC(=O)NCC(C)[N@@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012520946	0	52	0.0	-66.41	368.00	6.28	-60.13
CO[C@H]1C[C@](NC(=O)NCC(C)[N@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012520946	1	52	0.0	-65.75	376.51	6.11	-59.64
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[N@@H+]1CCCCC1C	REAL300012520947	0	51	0.0	-63.62	384.86	7.59	-56.03
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[N@H+]1CCCCC1C	REAL300012520947	1	51	0.0	-67.39	376.96	8.17	-59.22
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[N@@H+]1CCCCC1C	REAL300012520948	0	54	0.0	-71.88	372.87	9.84	-62.04
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[N@H+]1CCCCC1C	REAL300012520948	1	54	0.0	-74.85	370.07	9.73	-65.12
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520949	0	47	0.0	-58.83	359.92	6.81	-52.02
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520949	1	47	0.0	-57.16	353.36	7.43	-49.73
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520950	0	55	0.0	-64.13	398.56	6.21	-57.92
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520950	1	55	0.0	-64.99	393.29	6.21	-58.78
CC(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520951	0	51	0.0	-66.16	394.45	8.06	-58.10
CC(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520951	1	51	0.0	-63.83	387.73	8.79	-55.04
COCC(NC(=O)NCC(C)[N@@H+]1CCCCC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012520952	0	58	0.0	-66.39	420.76	8.20	-58.19
COCC(NC(=O)NCC(C)[N@H+]1CCCCC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012520952	1	58	0.0	-63.69	415.21	8.74	-54.95
CC(C)C(C)(NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012520953	0	53	0.0	-67.64	364.49	7.19	-60.45
CC(C)C(C)(NC(=O)NCC(C)[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012520953	1	53	0.0	-63.58	359.13	7.78	-55.80
CC(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520954	0	49	0.0	-75.50	343.47	9.17	-66.33
CC(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520954	1	49	0.0	-76.83	343.61	9.89	-66.94
CC(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520955	0	52	0.0	-72.97	360.65	8.83	-64.14
CC(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520955	1	52	0.0	-72.56	360.25	8.86	-63.70
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520956	0	57	0.0	-35.78	410.06	11.74	-24.04
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520956	1	57	0.0	-43.47	397.93	11.60	-31.87
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520957	0	60	0.0	-66.09	424.47	9.31	-56.78
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520957	1	60	0.0	-67.60	418.69	9.92	-57.68
CC(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520958	0	57	0.0	-66.25	425.23	9.84	-56.41
CC(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520958	1	57	0.0	-67.57	416.89	10.51	-57.06
CC(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520959	0	57	0.0	-68.09	425.23	9.84	-58.25
CC(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520959	1	57	0.0	-65.05	419.34	10.03	-55.02
CC(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)[N@@H+]1CCCCC1C	REAL300012520960	0	58	0.0	-69.55	406.27	8.68	-60.87
CC(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)[N@H+]1CCCCC1C	REAL300012520960	1	58	0.0	-65.53	394.24	9.45	-56.08
CC(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520961	0	60	0.0	-65.72	424.00	9.29	-56.43
CC(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520961	1	60	0.0	-63.79	415.37	10.03	-53.76
CC(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520962	0	60	0.0	-63.67	423.99	9.26	-54.41
CC(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520962	1	60	0.0	-67.40	418.49	9.37	-58.03
CC(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520963	0	58	0.0	-45.86	405.67	9.78	-36.08
CC(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520963	1	58	0.0	-44.06	399.58	10.03	-34.03
CC(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520964	0	58	0.0	-75.25	396.96	10.59	-64.66
CC(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520964	1	58	0.0	-76.31	396.90	9.95	-66.36
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CC(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520982	0	58	0.0	-69.13	422.35	9.10	-60.03
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CC(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)[N@@H+]1CCCCC1C	REAL300012520990	0	55	0.0	-69.02	387.70	8.28	-60.74
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CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@@H+]1CCCCC1C	REAL300012520996	0	54	0.0	-49.06	400.56	10.94	-38.12
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@H+]1CCCCC1C	REAL300012520996	1	54	0.0	-46.12	395.21	11.51	-34.61
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520997	0	54	0.0	-39.75	376.81	8.82	-30.93
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CC(CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520998	1	55	0.0	-48.24	401.08	10.76	-37.48
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012520999	0	51	0.0	-73.43	359.96	9.94	-63.49
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012520999	1	51	0.0	-74.43	359.51	9.18	-65.25
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012521000	0	48	0.0	-77.94	348.84	8.19	-69.75
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012521000	1	48	0.0	-72.83	344.13	8.80	-64.03
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012521001	0	54	0.0	-69.10	408.40	9.26	-59.84
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012521001	1	54	0.0	-71.22	403.02	9.29	-61.93
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012521002	0	51	0.0	-63.70	392.44	8.09	-55.61
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CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012521003	0	51	0.0	-66.58	371.38	8.78	-57.80
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012521003	1	51	0.0	-69.51	366.76	8.82	-60.69
CC(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[N@@H+]1CCCCC1C	REAL300012521004	0	55	0.0	-70.94	401.66	9.55	-61.39
CC(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[N@H+]1CCCCC1C	REAL300012521004	1	55	0.0	-68.35	407.37	8.73	-59.62
CC(CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012521005	0	59	0.0	-72.77	426.25	10.30	-62.47
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CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012521006	1	51	0.0	-64.92	387.69	8.09	-56.83
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012521007	0	55	0.0	-75.39	375.54	9.72	-65.67
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012521007	1	55	0.0	-73.24	375.69	9.28	-63.96
COCCCC(NC(=O)NCC(C)[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012521008	0	54	0.0	-62.00	398.58	5.96	-56.04
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CCCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1CCCCC1C	REAL300012521009	0	53	0.0	-62.88	370.52	9.64	-53.24
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CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[N@H+]1CCCCC1C	REAL300012521012	1	55	0.0	-69.51	386.73	7.27	-62.24
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@@H+]1CCCCC1C	REAL300012521013	0	55	0.0	-66.72	394.02	9.99	-56.73
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@H+]1CCCCC1C	REAL300012521013	1	55	0.0	-69.57	393.73	10.09	-59.48
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012521014	0	52	0.0	-44.85	369.77	6.12	-38.73
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012521014	1	52	0.0	-72.41	361.93	7.69	-64.72
CC(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012521015	0	54	0.0	-69.65	379.14	9.05	-60.60
CC(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012521015	1	54	0.0	-63.56	384.90	8.97	-54.59
CC(CNC(=O)NC(CCC#N)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012521016	0	48	0.0	-69.01	364.44	6.62	-62.39
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CC(CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012521018	0	57	0.0	-66.22	427.40	9.42	-56.80
CC(CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012521018	1	57	0.0	-65.33	421.15	10.09	-55.24
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[N@@H+]1CCCCC1C	REAL300012521019	0	51	0.0	-47.70	382.20	9.09	-38.61
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[N@H+]1CCCCC1C	REAL300012521019	1	51	0.0	-47.21	376.88	9.65	-37.56
CC(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012521020	0	62	0.0	-74.37	417.19	9.42	-64.95
CC(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[N@H+]1CCCCC1C	REAL300012521020	1	62	0.0	-47.32	420.75	8.38	-38.94
CC(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])[N@@H+]1CCCCC1C	REAL300012521021	0	53	0.0	-65.43	413.91	7.73	-57.70
CC(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])[N@H+]1CCCCC1C	REAL300012521021	1	53	0.0	-63.13	408.35	7.84	-55.29
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@@H+]2CCCCC2C)C1	REAL300012521022	0	55	0.0	-70.69	391.91	8.68	-62.01
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@H+]2CCCCC2C)C1	REAL300012521022	1	55	0.0	-72.72	389.38	8.57	-64.15
CC(C)C[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521023	0	50	0.0	-72.53	391.24	8.13	-64.40
C=CCOCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521024	0	49	0.0	-71.78	395.84	7.51	-64.27
C=CC(C)C(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521025	0	48	0.0	-76.41	374.01	8.64	-67.77
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=C(F)C=C1	REAL300012521026	0	52	0.0	-71.98	400.61	6.90	-65.08
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1=CC=C(F)C=C1	REAL300012521027	0	48	0.0	-66.82	398.06	9.92	-56.90
COC1CCN(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012521028	0	52	0.0	-81.37	392.94	8.87	-72.50
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CC=C(F)C=C1	REAL300012521029	0	52	0.0	-74.45	396.41	6.72	-67.73
CC1CCN(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012521030	0	51	0.0	-80.60	377.02	10.13	-70.47
CC1=CC(C(NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300012521031	0	51	0.0	-70.72	415.19	9.68	-61.04
CC1=CC(C)=CC(C(NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012521032	0	54	0.0	-74.59	431.50	10.23	-64.36
CC1=CC=C(C(NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C(=O)[O-])C=C1C	REAL300012521033	0	54	0.0	-72.78	423.77	11.01	-61.77
CC1=CC=CC(C(NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C(=O)[O-])=C1C	REAL300012521034	0	54	0.0	-71.04	414.42	10.81	-60.23
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521035	0	47	0.0	-47.40	367.94	10.28	-37.12
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C1CCC1	REAL300012521036	0	51	0.0	-50.63	377.48	10.42	-40.21
CCCN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012521037	0	54	0.0	-78.10	407.98	11.11	-66.99
CCCN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012521038	0	53	0.0	-79.02	394.63	11.85	-67.17
CC(C)C(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521039	0	47	0.0	-75.31	360.66	8.13	-67.18
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521040	0	48	0.0	-81.36	362.84	10.04	-71.32
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=C(F)C=C1	REAL300012521041	0	48	0.0	-73.26	405.16	9.50	-63.76
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521042	0	46	0.0	-79.10	362.95	9.92	-69.18
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=C(F)C=C1	REAL300012521043	0	51	0.0	-78.51	381.95	9.04	-69.47
C[NH+](C)C(CNC(=O)N1CCCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521044	0	45	0.0	-77.41	348.62	9.73	-67.68
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=C(F)C=C1	REAL300012521045	0	48	0.0	-79.71	367.28	7.92	-71.79
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C1=CC=C(F)C=C1	REAL300012521046	0	54	0.0	-79.37	387.61	9.71	-69.66
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521047	0	51	0.0	-78.01	407.41	10.80	-67.21
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300012521048	0	51	0.0	-46.96	406.77	12.62	-34.34
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300012521049	0	48	0.0	-76.86	388.73	8.90	-67.96
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300012521050	0	48	0.0	-76.36	388.45	8.98	-67.38
CCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521051	0	44	0.0	-71.20	349.22	7.72	-63.48
CC(C)C(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521052	0	47	0.0	-75.31	360.66	8.13	-67.18
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521053	0	51	0.0	-78.01	407.41	10.80	-67.21
CCC(C)C(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521054	0	50	0.0	-77.09	384.20	8.93	-68.16
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521055	0	48	0.0	-81.36	362.84	10.04	-71.32
CCCC(C)(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521056	0	50	0.0	-75.47	374.85	8.86	-66.61
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521057	0	47	0.0	-48.41	355.76	9.76	-38.65
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=C(F)C=C1	REAL300012521058	0	45	0.0	-58.17	354.86	9.20	-48.97
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521059	0	45	0.0	-47.26	359.26	10.07	-37.19
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521060	0	50	0.0	-46.67	382.35	10.57	-36.10
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521061	0	52	0.0	-83.00	400.26	12.43	-70.57
C[NH+](C)C(CNC(=O)NC(C)(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521062	0	44	0.0	-62.43	339.97	7.10	-55.33
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=C(F)C=C1	REAL300012521063	0	48	0.0	-76.08	366.18	7.95	-68.13
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1=CC=C(F)C=C1	REAL300012521064	0	45	0.0	-75.15	380.34	8.00	-67.15
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=C(F)C=C1	REAL300012521065	0	51	0.0	-78.51	381.95	9.04	-69.47
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521066	0	47	0.0	-48.41	355.76	9.76	-38.65
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521067	0	47	0.0	-47.40	367.94	10.28	-37.12
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521068	0	44	0.0	-76.05	342.88	9.37	-66.68
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521069	0	50	0.0	-73.11	383.78	7.79	-65.32
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=C(F)C=C1	REAL300012521070	0	48	0.0	-79.71	367.28	7.92	-71.79
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1=CC=C(F)C=C1	REAL300012521071	0	51	0.0	-63.77	415.79	11.70	-52.07
CCC(C)(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521072	0	47	0.0	-75.19	353.36	8.10	-67.09
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=C(F)C=C1	REAL300012521073	0	52	0.0	-74.83	406.98	10.09	-64.74
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1=CC=C(F)C=C1	REAL300012521074	0	48	0.0	-71.47	395.42	9.96	-61.51
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300012521075	0	51	0.0	-76.07	396.39	9.70	-66.37
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521076	0	44	0.0	-76.05	342.88	9.37	-66.68
CCCCCCC(C)(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521077	0	59	0.0	-70.65	439.35	11.18	-59.47
CN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012521078	0	54	0.0	-77.31	416.73	12.77	-64.54
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300012521079	0	42	0.0	-79.99	337.19	7.04	-72.95
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=C(F)C=C1	REAL300012521080	0	48	0.0	-73.26	405.16	9.50	-63.76
C[NH+](C)C(CNC(=O)N1CCOCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521081	0	46	0.0	-78.74	353.88	7.35	-71.39
CN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300012521082	0	54	0.0	-80.76	391.48	10.38	-70.38
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=C(F)C=C1	REAL300012521083	0	45	0.0	-71.40	359.47	7.30	-64.10
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300012521084	0	54	0.0	-48.51	427.85	13.30	-35.21
CN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012521085	0	51	0.0	-72.16	395.50	10.48	-61.68
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521086	0	48	0.0	-47.92	377.82	8.69	-39.23
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1=CC=C(F)C=C1	REAL300012521087	0	52	0.0	-76.18	403.72	10.02	-66.16
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521088	0	45	0.0	-78.61	352.38	8.44	-70.17
C[NH+](C)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521089	0	48	0.0	-82.01	362.61	9.81	-72.20
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521090	0	44	0.0	-73.63	342.50	7.82	-65.81
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521091	0	45	0.0	-78.04	351.78	8.74	-69.30
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC1)C1=CC=C(F)C=C1	REAL300012521092	0	45	0.0	-76.69	353.98	7.56	-69.13
C=CCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521093	0	45	0.0	-69.39	361.70	8.18	-61.21
C[NH+](C)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521094	0	48	0.0	-80.82	368.43	9.28	-71.54
C[NH+](C)C(CNC(=O)N1CCCCCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521095	0	51	0.0	-77.07	375.91	10.89	-66.18
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=C(F)C=C1	REAL300012521096	0	45	0.0	-71.40	359.47	7.30	-64.10
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521097	0	44	0.0	-71.62	339.75	8.68	-62.94
CCCCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521098	0	50	0.0	-70.05	391.38	9.29	-60.76
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300012521099	0	54	0.0	-48.51	427.85	13.30	-35.21
C[NH+](C)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521100	0	48	0.0	-77.70	368.83	9.30	-68.40
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=C(F)C=C1	REAL300012521101	0	51	0.0	-65.00	386.82	10.20	-54.80
COCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521102	0	45	0.0	-71.81	361.08	5.97	-65.84
CCCCCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521103	0	53	0.0	-71.00	413.71	10.06	-60.94
CCC1CCC(NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012521104	0	57	0.0	-78.49	421.01	10.29	-68.20
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=C(F)C=C1	REAL300012521105	0	52	0.0	-65.14	395.35	8.53	-56.61
CN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300012521106	0	51	0.0	-76.61	377.82	9.65	-66.96
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C1CC1	REAL300012521107	0	48	0.0	-63.73	368.86	9.25	-54.48
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C1CC1	REAL300012521108	0	51	0.0	-67.21	389.45	10.34	-56.87
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1=CC=C(F)C=C1	REAL300012521109	0	48	0.0	-79.47	401.79	9.35	-70.12
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1=CC=C(F)C=C1	REAL300012521110	0	48	0.0	-83.17	393.65	8.97	-74.20
C[NH+](C)C(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521111	0	52	0.0	-67.99	403.49	11.36	-56.63
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521112	0	57	0.0	-76.97	432.87	10.04	-66.93
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521113	0	54	0.0	-66.38	421.36	12.53	-53.85
CC1=CC=C(C(NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012521114	0	51	0.0	-73.83	410.11	9.57	-64.26
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521115	0	44	0.0	-64.81	364.32	8.45	-56.36
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)C1=CC=C(F)C=C1	REAL300012521116	0	49	0.0	-72.45	380.07	8.75	-63.70
COCC(C)(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521117	0	48	0.0	-79.92	371.60	7.39	-72.53
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521118	0	51	0.0	-69.35	390.65	9.19	-60.16
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521119	0	50	0.0	-46.67	382.35	10.57	-36.10
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=C(F)C=C1	REAL300012521120	0	45	0.0	-58.17	354.86	9.20	-48.97
C[NH+](C)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300012521121	0	47	0.0	-48.12	386.07	10.66	-37.46
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CC=C(F)C=C1	REAL300012521122	0	46	0.0	-72.19	358.39	5.36	-66.83
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=C(F)C=C1	REAL300012521123	0	54	0.0	-78.25	403.54	10.02	-68.23
CN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300012521124	0	55	0.0	-75.96	421.66	9.63	-66.33
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300012521125	0	55	0.0	-51.96	427.12	12.62	-39.34
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)C1=CC=C(F)C=C1	REAL300012521126	0	49	0.0	-75.25	373.80	6.56	-68.69
C=CCCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521127	0	48	0.0	-69.85	382.70	9.06	-60.79
C[NH+](C)C(CNC(=O)NC(CF)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521128	0	41	0.0	-60.55	330.84	6.74	-53.81
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521129	0	54	0.0	-58.08	416.95	12.61	-45.47
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521130	0	44	0.0	-71.62	339.75	8.68	-62.94
CCC(CC)(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521131	0	50	0.0	-76.99	369.75	8.99	-68.00
COC1=CC=C(C(NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012521132	0	52	0.0	-73.71	418.17	8.21	-65.50
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521133	0	50	0.0	-46.43	377.17	10.85	-35.58
CCC(COC)(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521134	0	51	0.0	-76.40	388.27	8.28	-68.12
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521135	0	54	0.0	-68.77	411.24	10.05	-58.72
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521136	0	48	0.0	-69.86	380.00	9.29	-60.57
COCCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521137	0	48	0.0	-71.35	382.89	6.79	-64.56
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521138	0	53	0.0	-67.90	397.47	11.21	-56.69
C[NH+](C)C(CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521139	0	44	0.0	-65.03	359.00	8.26	-56.77
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521140	0	54	0.0	-83.04	402.22	11.11	-71.93
CCCN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012521141	0	50	0.0	-50.03	377.70	10.36	-39.67
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521142	0	54	0.0	-50.42	419.56	12.48	-37.94
CCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012521143	0	54	0.0	-73.63	413.36	10.55	-63.08
COC1CCCC(C(NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C(=O)[O-])C1	REAL300012521144	0	58	0.0	-75.11	441.74	8.31	-66.80
C[NH+](C)C(CNC(=O)NC(CCF)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521145	0	44	0.0	-70.34	355.81	7.87	-62.47
COC1(CC(NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012521146	0	55	0.0	-75.19	422.79	8.20	-66.99
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=C(F)C=C1	REAL300012521147	0	52	0.0	-65.14	395.35	8.53	-56.61
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C1=CC=C(F)C=C1	REAL300012521148	0	54	0.0	-65.30	404.21	10.91	-54.39
C[C@H]1CC[C@@](NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012521149	0	54	0.0	-78.76	395.75	9.43	-69.33
COC1=CC=CC(C(NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012521150	0	52	0.0	-74.94	414.85	9.09	-65.85
C[NH+](C)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521151	0	47	0.0	-67.79	359.95	8.23	-59.56
C[NH+](C)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521152	0	49	0.0	-64.69	385.23	9.42	-55.27
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521153	0	45	0.0	-74.36	366.69	8.50	-65.86
COC1=CC=CC([C@H](NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012521154	0	52	0.0	-76.15	418.20	8.19	-67.96
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521155	0	44	0.0	-69.79	343.56	7.88	-61.91
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C1	REAL300012521156	0	54	0.0	-80.71	417.82	10.64	-70.07
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1=CC=C(F)C=C1	REAL300012521157	0	57	0.0	-74.95	409.74	9.94	-65.01
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC=C(F)C=C1	REAL300012521158	0	46	0.0	-84.00	358.59	9.37	-74.63
COC1CN(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012521159	0	52	0.0	-75.71	397.90	9.21	-66.50
C[NH+](C)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521160	0	55	0.0	-71.37	419.47	8.41	-62.96
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC=C(F)C=C1	REAL300012521161	0	50	0.0	-73.28	383.34	7.94	-65.34
C=C(Cl)CC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521162	0	45	0.0	-72.57	378.49	8.79	-63.78
C=C(C)CC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521163	0	48	0.0	-70.15	382.27	8.95	-61.20
C[NH+](C)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CC=C(F)C=C1	REAL300012521164	0	49	0.0	-86.83	373.71	10.20	-76.63
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521165	0	45	0.0	-75.88	364.59	8.93	-66.95
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521166	0	45	0.0	-76.04	358.25	8.83	-67.21
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C1	REAL300012521167	0	46	0.0	-83.14	362.10	9.72	-73.42
C[NH+](C)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521168	0	55	0.0	-73.65	424.00	7.64	-66.01
CC(C)C[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521169	0	50	0.0	-72.53	391.24	8.13	-64.40
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=C(F)C=C1	REAL300012521170	0	52	0.0	-71.98	400.61	6.90	-65.08
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300012521171	0	48	0.0	-76.36	388.45	8.98	-67.38
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521172	0	48	0.0	-69.86	380.00	9.29	-60.57
C[NH+](C)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521173	0	47	0.0	-76.69	397.71	6.97	-69.72
CC(C)CCCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521174	0	56	0.0	-71.01	431.28	10.58	-60.43
C[NH+](C)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521175	0	52	0.0	-79.44	408.49	7.28	-72.16
CSCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521176	0	45	0.0	-67.11	372.01	8.17	-58.94
COC[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521177	0	45	0.0	-73.45	364.26	5.12	-68.33
CC[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521178	0	44	0.0	-76.02	349.20	7.76	-68.26
C[NH+](C)C(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521179	0	51	0.0	-75.54	417.33	9.92	-65.62
CCC(C)CC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521180	0	53	0.0	-71.23	406.15	9.69	-61.54
C=CCCCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521181	0	51	0.0	-69.58	404.19	9.84	-59.74
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521182	0	51	0.0	-71.84	417.31	9.92	-61.92
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521183	0	46	0.0	-79.10	362.95	9.92	-69.18
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300012521184	0	51	0.0	-76.07	396.39	9.70	-66.37
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521185	0	45	0.0	-78.61	352.38	8.44	-70.17
CCCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521186	0	47	0.0	-70.04	369.88	8.50	-61.54
CC(C)[C@@H](NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521187	0	47	0.0	-76.51	364.66	7.16	-69.35
C[NH+](C)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521188	0	49	0.0	-83.60	372.43	10.35	-73.25
CCN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012521189	0	50	0.0	-79.75	368.95	10.38	-69.37
CCCN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012521190	0	50	0.0	-50.03	377.70	10.36	-39.67
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=C(F)C=C1	REAL300012521191	0	44	0.0	-72.33	366.88	8.96	-63.37
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=C(F)C=C1	REAL300012521192	0	44	0.0	-72.33	366.88	8.96	-63.37
CN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012521193	0	47	0.0	-79.47	354.37	9.64	-69.83
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521194	0	45	0.0	-78.04	351.78	8.74	-69.30
C[NH+](C)C(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300012521195	0	57	0.0	-48.44	434.78	8.00	-40.44
C[NH+](C)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521196	0	46	0.0	-80.58	363.63	5.06	-75.52
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521197	0	52	0.0	-82.98	401.83	11.65	-71.33
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)[C@H]1C(=O)[O-]	REAL300012521198	0	55	0.0	-69.19	415.72	11.86	-57.33
CCC[C@@H](NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521199	0	47	0.0	-75.66	373.79	7.66	-68.00
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300012521200	0	48	0.0	-76.86	388.73	8.90	-67.96
C[NH+](C)C(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521201	0	53	0.0	-78.04	428.59	8.91	-69.13
C=CCCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521202	0	48	0.0	-69.85	382.70	9.06	-60.79
C[NH+](C)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521203	0	47	0.0	-78.52	397.25	6.91	-71.61
C[NH+](C)C(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521204	0	48	0.0	-87.24	382.14	6.33	-80.91
CN1CC(C(=O)[O-])N(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)CC1=O	REAL300012521205	0	49	0.0	-73.70	379.74	8.01	-65.69
C[NH+](C)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521206	0	48	0.0	-80.85	368.40	9.28	-71.57
CC(C)[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521207	0	47	0.0	-76.45	366.24	8.34	-68.11
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300012521208	0	48	0.0	-72.07	385.43	9.80	-62.27
C[NH+](C)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521209	0	51	0.0	-77.38	398.14	8.24	-69.14
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521210	0	44	0.0	-69.79	343.56	7.88	-61.91
CCC[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521211	0	47	0.0	-72.30	374.04	7.60	-64.70
CCN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012521212	0	47	0.0	-72.77	352.15	9.31	-63.46
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=C(F)C=C1	REAL300012521213	0	51	0.0	-65.00	386.82	10.20	-54.80
CC(CN(C)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521214	0	47	0.0	-78.04	359.58	9.19	-68.85
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521215	0	50	0.0	-73.11	383.78	7.79	-65.32
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521216	0	47	0.0	-70.16	363.51	8.85	-61.31
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CC=C(F)C=C1	REAL300012521217	0	49	0.0	-84.49	384.54	4.73	-79.76
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521218	0	57	0.0	-74.05	433.99	8.17	-65.88
CC1CCC(NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012521219	0	51	0.0	-75.73	388.94	8.58	-67.15
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1=CC=C(F)C=C1	REAL300012521220	0	54	0.0	-79.08	396.48	9.19	-69.89
COCCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521221	0	48	0.0	-71.35	382.89	6.79	-64.56
CN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012521222	0	54	0.0	-77.31	416.73	12.77	-64.54
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CC=C(F)C=C1	REAL300012521223	0	51	0.0	-80.59	390.19	9.25	-71.34
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=C(F)C=C1	REAL300012521224	0	48	0.0	-78.66	376.14	8.19	-70.47
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521225	0	57	0.0	-77.27	435.35	8.17	-69.10
C[NH+](C)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521226	0	46	0.0	-84.76	363.60	5.21	-79.55
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CC=C(F)C=C1	REAL300012521227	0	49	0.0	-77.47	379.64	5.81	-71.66
C[NH+](C)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521228	0	49	0.0	-87.71	370.04	10.77	-76.94
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C21)C1=CC=C(F)C=C1	REAL300012521229	0	52	0.0	-84.58	420.62	8.97	-75.61
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CC=C(F)C=C1	REAL300012521230	0	47	0.0	-79.27	366.01	7.58	-71.69
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C1	REAL300012521231	0	51	0.0	-80.87	383.52	10.63	-70.24
CC(C1=CC=CC=C1)C(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521232	0	54	0.0	-75.60	422.82	11.15	-64.45
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521233	0	55	0.0	-72.49	425.26	9.97	-62.52
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=C(F)C=C1	REAL300012521234	0	48	0.0	-76.27	372.20	7.78	-68.49
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=C(F)C=C1	REAL300012521235	0	54	0.0	-78.25	403.54	10.02	-68.23
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=C(F)C=C1	REAL300012521236	0	48	0.0	-76.27	372.20	7.78	-68.49
CC1CCN(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C1C(=O)[O-]	REAL300012521237	0	48	0.0	-83.29	372.98	9.06	-74.23
C=CCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521238	0	45	0.0	-69.39	361.70	8.18	-61.21
C[NH+](C)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521239	0	55	0.0	-75.10	424.53	8.64	-66.46
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1=CC=C(F)C=C1	REAL300012521240	0	55	0.0	-53.39	398.65	10.59	-42.80
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1=CC=C(F)C=C1	REAL300012521241	0	55	0.0	-74.69	402.61	7.87	-66.82
CC1=CC=CC2=C1CCN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C2C(=O)[O-]	REAL300012521242	0	55	0.0	-64.37	420.82	11.91	-52.46
C[NH+](C)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521243	0	49	0.0	-56.13	374.56	9.81	-46.32
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521244	0	55	0.0	-72.49	425.26	9.97	-62.52
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521245	0	51	0.0	-69.86	416.50	9.92	-59.94
COC1CC(NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012521246	0	49	0.0	-83.81	384.46	7.51	-76.30
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1=CC=C(F)C=C1	REAL300012521247	0	45	0.0	-77.50	361.98	7.57	-69.93
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012521248	0	49	0.0	-75.73	385.85	6.41	-69.32
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1=CC=C(F)C=C1	REAL300012521249	0	48	0.0	-77.31	390.56	8.84	-68.47
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521250	0	51	0.0	-80.11	381.57	10.55	-69.56
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521251	0	44	0.0	-64.81	364.32	8.45	-56.36
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521252	0	52	0.0	-76.18	407.43	6.88	-69.30
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])COC1)C1=CC=C(F)C=C1	REAL300012521253	0	43	0.0	-73.10	344.38	4.59	-68.51
C[NH+](C)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521254	0	48	0.0	-72.94	402.84	8.91	-64.03
CC(C)C(C)(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521255	0	50	0.0	-76.24	368.29	8.72	-67.52
C[NH+](C)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521256	0	46	0.0	-84.44	355.58	10.69	-73.75
C[NH+](C)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521257	0	49	0.0	-83.31	374.73	9.29	-74.02
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521258	0	54	0.0	-50.42	419.56	12.48	-37.94
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521259	0	57	0.0	-76.97	432.87	10.04	-66.93
C[NH+](C)C(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521260	0	54	0.0	-73.42	433.94	10.63	-62.79
C[NH+](C)C(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521261	0	54	0.0	-77.32	433.96	10.62	-66.70
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1=CC=C(F)C=C1	REAL300012521262	0	55	0.0	-77.08	412.99	9.50	-67.58
C[NH+](C)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521263	0	57	0.0	-76.96	432.87	10.03	-66.93
C[NH+](C)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521264	0	57	0.0	-72.63	432.87	10.04	-62.59
C[NH+](C)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521265	0	55	0.0	-55.47	413.96	10.66	-44.81
C[NH+](C)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521266	0	55	0.0	-85.57	408.33	11.64	-73.93
C=CCSCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521267	0	49	0.0	-67.20	406.29	9.62	-57.58
C[NH+](C)C(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521268	0	52	0.0	-73.32	431.76	10.23	-63.09
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521269	0	50	0.0	-79.07	373.18	11.12	-67.95
COC1(C(NC(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012521270	0	52	0.0	-69.57	399.99	6.49	-63.08
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C1=CC=C(F)C=C1	REAL300012521271	0	55	0.0	-75.51	420.34	10.98	-64.53
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1=CC=C(F)C=C1	REAL300012521272	0	48	0.0	-75.29	381.11	9.27	-66.02
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521274	0	45	0.0	-76.04	358.25	8.83	-67.21
C[NH+](C)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521275	0	47	0.0	-59.98	367.66	9.57	-50.41
C[NH+](C)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521276	0	51	0.0	-84.72	384.78	10.37	-74.35
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521277	0	55	0.0	-80.51	408.14	11.60	-68.91
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C1=CC=C(F)C=C1	REAL300012521278	0	55	0.0	-72.03	428.38	11.35	-60.68
CC(C)CCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521279	0	53	0.0	-71.23	409.78	9.78	-61.45
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521280	0	52	0.0	-55.97	398.86	10.25	-45.72
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521281	0	52	0.0	-76.18	407.43	6.88	-69.30
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C1	REAL300012521282	0	49	0.0	-78.67	394.40	9.92	-68.75
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1=CC=C(F)C=C1	REAL300012521283	0	52	0.0	-77.98	390.62	9.42	-68.56
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CC=C(F)C=C1	REAL300012521284	0	49	0.0	-75.92	375.03	8.77	-67.15
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1=CC=C(F)C=C1	REAL300012521285	0	52	0.0	-74.12	396.20	9.18	-64.94
CN(C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012521286	0	54	0.0	-76.33	419.55	11.76	-64.57
C[NH+](C)C(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1=CC=C(F)C=C1	REAL300012521287	0	58	0.0	-52.14	424.57	12.20	-39.94
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CC=C(F)C=C1	REAL300012521288	0	51	0.0	-76.90	394.32	8.55	-68.35
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521289	0	48	0.0	-73.47	382.55	6.07	-67.40
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521290	0	48	0.0	-78.69	375.96	8.57	-70.12
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300012521291	0	51	0.0	-46.96	406.77	12.62	-34.34
C[NH+](C)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521292	0	51	0.0	-57.31	393.19	9.39	-47.92
C[NH+](C)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521293	0	48	0.0	-78.82	374.00	9.95	-68.87
C[NH+](C)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521294	0	45	0.0	-82.13	360.31	9.87	-72.26
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521295	0	51	0.0	-69.86	416.50	9.92	-59.94
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521296	0	48	0.0	-76.07	401.80	8.77	-67.30
C[NH+](C)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521297	0	48	0.0	-71.39	377.75	10.39	-61.00
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1=CC=C(F)C=C1	REAL300012521298	0	52	0.0	-76.92	416.14	9.58	-67.34
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521299	0	48	0.0	-76.07	401.80	8.77	-67.30
C[NH+](C)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521300	0	52	0.0	-80.68	390.24	10.11	-70.57
COCCCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521301	0	51	0.0	-70.65	404.39	7.57	-63.08
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521302	0	50	0.0	-68.77	381.15	10.49	-58.28
CCOCC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012521303	0	48	0.0	-72.11	382.93	6.94	-65.17
C[NH+](C)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521304	0	53	0.0	-76.75	399.26	10.19	-66.56
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C1=CC=C(F)C=C1	REAL300012521305	0	52	0.0	-74.41	403.31	7.39	-67.02
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=C(F)C=C1	REAL300012521306	0	52	0.0	-74.83	406.98	10.09	-64.74
C[C@H]1OCCN(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012521307	0	49	0.0	-79.01	373.65	8.26	-70.75
C[NH+](C)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CC=C(F)C=C1	REAL300012521308	0	45	0.0	-72.55	369.24	8.24	-64.31
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1=CC=C(F)C=C1	REAL300012521309	0	48	0.0	-67.18	385.54	9.53	-57.65
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300012521310	0	44	0.0	-73.63	342.50	7.82	-65.81
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C1	REAL300012521311	0	52	0.0	-77.49	405.47	8.78	-68.71
CC(C)C[C@H](NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521312	0	47	0.0	-68.80	375.94	7.03	-61.77
C=CCOCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521313	0	46	0.0	-71.22	384.09	5.59	-65.63
C=CC(C)C(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521314	0	45	0.0	-70.15	366.44	6.84	-63.31
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CSC=C1	REAL300012521315	0	49	0.0	-68.21	385.31	5.80	-62.41
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1=CSC=C1	REAL300012521316	0	45	0.0	-62.82	382.51	8.81	-54.01
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1=CSC=C1	REAL300012521317	0	45	0.0	-62.55	392.40	9.26	-53.29
COC1CCN(C(=O)NCC(C2=CSC=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012521318	0	49	0.0	-78.11	379.80	7.72	-70.39
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CSC=C1	REAL300012521319	0	49	0.0	-69.88	381.15	5.62	-64.26
CC1CCN(C(=O)NCC(C2=CSC=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012521320	0	48	0.0	-77.00	361.48	9.11	-67.89
CC1=CC(C(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300012521321	0	48	0.0	-69.16	399.88	8.58	-60.58
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1=CSC=C1	REAL300012521322	0	50	0.0	-69.36	409.08	7.73	-61.63
CC1=CC(C)=CC(C(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012521323	0	51	0.0	-73.04	416.24	9.13	-63.91
CC1=CC=C(C(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])C=C1C	REAL300012521324	0	51	0.0	-73.18	411.83	9.00	-64.18
CC1=CC=CC(C(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])=C1C	REAL300012521325	0	51	0.0	-70.43	405.38	8.89	-61.54
COC1=CC=C(C(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])C=C1F	REAL300012521326	0	49	0.0	-72.55	408.88	7.24	-65.31
CCCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521327	0	44	0.0	-60.47	357.05	8.31	-52.16
CC(C(=O)[O-])N(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C1CCC1	REAL300012521328	0	48	0.0	-48.41	362.93	9.28	-39.13
CCCN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012521329	0	51	0.0	-68.98	395.25	7.99	-60.99
CCCN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012521330	0	50	0.0	-49.92	386.53	10.36	-39.56
CC(C)C(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521331	0	44	0.0	-70.83	351.79	6.29	-64.54
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CSC=C1	REAL300012521332	0	45	0.0	-80.76	344.10	9.97	-70.79
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CSC=C1	REAL300012521333	0	45	0.0	-69.35	389.88	8.37	-60.98
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CSC=C1	REAL300012521334	0	43	0.0	-75.93	347.64	8.82	-67.11
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CSC=C1	REAL300012521335	0	48	0.0	-71.70	367.11	7.96	-63.74
C[NH+](C)C(CNC(=O)N1CCCC1C(=O)[O-])C1=CSC=C1	REAL300012521336	0	42	0.0	-74.25	336.51	7.65	-66.60
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CSC=C1	REAL300012521337	0	45	0.0	-75.16	352.02	6.82	-68.34
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C1=CSC=C1	REAL300012521338	0	51	0.0	-72.23	372.77	8.62	-63.61
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CSC=C1	REAL300012521339	0	48	0.0	-70.19	395.81	8.83	-61.36
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CSC=C1	REAL300012521340	0	48	0.0	-60.53	394.54	10.56	-49.97
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012521341	0	45	0.0	-72.03	373.16	7.88	-64.15
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012521342	0	45	0.0	-72.51	373.15	7.85	-64.66
CC(C)C(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521343	0	44	0.0	-70.83	351.79	6.29	-64.54
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CSC=C1	REAL300012521344	0	48	0.0	-70.19	395.81	8.83	-61.36
CCC(C)C(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521345	0	47	0.0	-70.38	372.59	6.96	-63.42
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CSC=C1	REAL300012521346	0	45	0.0	-80.76	344.10	9.97	-70.79
CCCC(C)(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521347	0	47	0.0	-68.23	363.25	6.88	-61.35
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521348	0	44	0.0	-61.12	345.80	7.84	-53.28
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CSC=C1	REAL300012521349	0	42	0.0	-54.80	339.57	8.10	-46.70
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521350	0	42	0.0	-60.35	348.36	8.12	-52.23
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521351	0	47	0.0	-60.03	371.46	8.62	-51.41
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1=CSC=C1	REAL300012521352	0	49	0.0	-75.95	384.32	11.31	-64.64
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CSC=C1	REAL300012521353	0	45	0.0	-73.59	347.31	7.75	-65.84
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1=CSC=C1	REAL300012521354	0	42	0.0	-70.72	365.04	6.88	-63.84
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CSC=C1	REAL300012521355	0	48	0.0	-71.70	367.11	7.96	-63.74
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C1=CSC=C1	REAL300012521356	0	48	0.0	-58.41	411.28	11.08	-47.33
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521357	0	44	0.0	-61.12	345.80	7.84	-53.28
CCCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521358	0	44	0.0	-60.47	357.05	8.31	-52.16
CC[C@H](C)[C@H](NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521359	0	47	0.0	-69.28	368.49	6.69	-62.59
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CSC=C1	REAL300012521360	0	45	0.0	-75.16	352.02	6.82	-68.34
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1=CSC=C1	REAL300012521361	0	48	0.0	-58.79	400.96	10.63	-48.16
CCC(C)(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521362	0	44	0.0	-67.95	341.75	6.12	-61.83
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CSC=C1	REAL300012521363	0	49	0.0	-71.11	391.72	8.99	-62.12
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1=CSC=C1	REAL300012521364	0	45	0.0	-72.94	384.53	8.02	-64.92
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012521365	0	48	0.0	-72.75	381.45	8.58	-64.17
CCCCCCC(C)(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521366	0	56	0.0	-68.36	427.76	9.21	-59.15
CN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012521367	0	51	0.0	-68.66	404.61	10.68	-57.98
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CSC=C1	REAL300012521368	0	45	0.0	-69.35	389.88	8.37	-60.98
C[NH+](C)C(CNC(=O)N1CCOCC1C(=O)[O-])C1=CSC=C1	REAL300012521369	0	43	0.0	-75.43	338.92	6.37	-69.06
CN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300012521370	0	51	0.0	-76.22	376.19	9.27	-66.95
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CSC=C1	REAL300012521371	0	42	0.0	-72.83	343.63	6.22	-66.61
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CSC=C1	REAL300012521372	0	51	0.0	-61.60	416.95	11.34	-50.26
CN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012521373	0	48	0.0	-71.37	383.59	9.52	-61.85
COCCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521374	0	45	0.0	-61.46	366.92	6.74	-54.72
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1=CSC=C1	REAL300012521375	0	49	0.0	-72.73	388.42	8.91	-63.82
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012521376	0	42	0.0	-79.37	333.76	8.32	-71.05
C[NH+](C)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012521377	0	45	0.0	-79.35	343.10	9.46	-69.89
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CSC=C1	REAL300012521378	0	42	0.0	-77.20	336.37	7.67	-69.53
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC1)C1=CSC=C1	REAL300012521379	0	42	0.0	-75.46	338.72	6.45	-69.01
C=CCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521380	0	42	0.0	-69.11	350.90	6.20	-62.91
C[NH+](C)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CSC=C1	REAL300012521381	0	45	0.0	-73.27	349.51	9.09	-64.18
C[NH+](C)C(CNC(=O)N1CCCCCC1C(=O)[O-])C1=CSC=C1	REAL300012521382	0	48	0.0	-74.83	361.30	9.20	-65.63
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CSC=C1	REAL300012521383	0	42	0.0	-72.83	343.63	6.22	-66.61
CCCCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521384	0	47	0.0	-68.78	380.38	7.36	-61.42
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CSC=C1	REAL300012521385	0	51	0.0	-61.60	416.95	11.34	-50.26
C[NH+](C)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CSC=C1	REAL300012521386	0	45	0.0	-72.81	353.15	8.18	-64.63
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CSC=C1	REAL300012521387	0	48	0.0	-59.83	371.53	9.11	-50.72
COCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521388	0	42	0.0	-70.88	349.47	3.99	-66.89
CCCCCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521389	0	50	0.0	-68.73	401.88	8.14	-60.59
CCC1CCC(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012521390	0	54	0.0	-74.81	406.34	9.19	-65.62
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CSC=C1	REAL300012521391	0	49	0.0	-60.04	379.95	7.44	-52.60
CN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300012521392	0	48	0.0	-76.76	362.78	8.53	-68.23
CC(C(=O)[O-])N(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C1CC1	REAL300012521393	0	45	0.0	-62.79	354.16	8.12	-54.67
CCC(C(=O)[O-])N(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C1CC1	REAL300012521394	0	48	0.0	-57.62	374.31	9.20	-48.42
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1=CSC=C1	REAL300012521395	0	45	0.0	-70.83	384.15	8.27	-62.56
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1=CSC=C1	REAL300012521396	0	45	0.0	-74.59	377.57	7.95	-66.64
C[NH+](C)C(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1=CSC=C1	REAL300012521397	0	49	0.0	-49.01	384.66	11.15	-37.86
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C1=CSC=C1	REAL300012521398	0	48	0.0	-76.83	410.76	9.00	-67.83
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CSC=C1	REAL300012521399	0	54	0.0	-72.38	417.58	8.92	-63.46
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521400	0	51	0.0	-63.30	405.65	11.49	-51.81
CC1=CC=C(C(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012521401	0	48	0.0	-71.98	394.59	8.55	-63.43
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CSC=C1	REAL300012521402	0	41	0.0	-64.52	353.55	6.45	-58.07
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1=CSC=C1	REAL300012521403	0	51	0.0	-73.81	419.37	10.08	-63.73
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)C1=CSC=C1	REAL300012521404	0	46	0.0	-71.35	364.98	7.64	-63.71
COCC(C)(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521405	0	45	0.0	-72.39	359.99	5.41	-66.98
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521406	0	48	0.0	-68.14	380.00	7.06	-61.08
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521407	0	47	0.0	-60.03	371.46	8.62	-51.41
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521408	0	54	0.0	-59.85	421.59	11.67	-48.18
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CSC=C1	REAL300012521409	0	42	0.0	-54.80	339.57	8.10	-46.70
C[NH+](C)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1=CSC=C1	REAL300012521410	0	44	0.0	-61.02	375.18	8.69	-52.33
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CSC=C1	REAL300012521411	0	43	0.0	-68.30	343.14	4.26	-64.04
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CSC=C1	REAL300012521412	0	51	0.0	-70.41	390.69	8.03	-62.38
CN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300012521413	0	52	0.0	-71.06	406.04	8.49	-62.57
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1=CSC=C1	REAL300012521414	0	52	0.0	-48.56	408.88	11.57	-36.99
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)C1=CSC=C1	REAL300012521415	0	46	0.0	-74.44	358.54	5.46	-68.98
C=CCCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521416	0	45	0.0	-69.18	371.93	7.08	-62.10
C[NH+](C)C(CNC(=O)NC(CF)C(=O)[O-])C1=CSC=C1	REAL300012521417	0	38	0.0	-60.94	319.71	4.71	-56.23
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521418	0	51	0.0	-50.30	398.67	11.42	-38.88
CCC(CC)(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521419	0	47	0.0	-71.94	358.44	7.02	-64.92
COC1=CC=C(C(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012521420	0	49	0.0	-72.47	402.64	7.15	-65.32
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521421	0	47	0.0	-59.81	366.27	8.89	-50.92
CCC(COC)(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521422	0	48	0.0	-73.55	376.44	6.32	-67.23
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521423	0	51	0.0	-68.40	400.89	7.90	-60.50
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1=CSC=C1	REAL300012521424	1	48	0.0	-76.82	383.81	3.94	-72.88
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CSC=C1	REAL300012521425	0	45	0.0	-68.30	368.86	7.28	-61.02
COCCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521426	0	45	0.0	-69.18	371.05	4.87	-64.31
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521427	0	50	0.0	-66.91	386.44	9.12	-57.79
C[NH+](C)C(CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CSC=C1	REAL300012521428	0	41	0.0	-68.68	349.72	6.10	-62.58
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521429	0	51	0.0	-76.52	387.72	10.17	-66.35
CCCN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012521430	0	47	0.0	-50.61	368.16	9.16	-41.45
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521431	0	51	0.0	-50.92	403.88	11.51	-39.41
CCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012521432	0	51	0.0	-70.94	398.55	9.50	-61.44
COC1CCCC(C(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])C1	REAL300012521433	0	55	0.0	-71.36	426.44	7.21	-64.15
C[NH+](C)C(CNC(=O)NC(CCF)C(=O)[O-])C1=CSC=C1	REAL300012521434	0	41	0.0	-67.99	343.96	5.95	-62.04
COC1(CC(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012521435	0	52	0.0	-73.17	408.91	6.74	-66.43
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CSC=C1	REAL300012521436	0	49	0.0	-60.04	379.95	7.44	-52.60
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C1=CSC=C1	REAL300012521437	0	51	0.0	-55.73	388.91	9.80	-45.93
C[C@H]1CC[C@@](NC(=O)NCC(C2=CSC=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012521438	0	51	0.0	-77.26	377.55	9.30	-67.96
COC1=CC=CC(C(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012521439	0	49	0.0	-74.35	399.36	7.99	-66.36
C[NH+](C)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CSC=C1	REAL300012521440	0	44	0.0	-65.43	348.34	6.26	-59.17
C[NH+](C)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1=CSC=C1	REAL300012521441	0	46	0.0	-65.10	370.23	8.28	-56.82
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012521442	0	42	0.0	-72.63	346.74	8.46	-64.17
COC1=CC=CC([C@H](NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012521443	0	49	0.0	-71.94	402.66	7.17	-64.77
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C2=CSC=C2)[NH+](C)C)C1	REAL300012521444	0	51	0.0	-76.76	402.57	9.54	-67.22
COC1=CC=CC(CC(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012521445	0	52	0.0	-76.20	425.13	8.03	-68.17
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1=CSC=C1	REAL300012521446	0	54	0.0	-72.25	391.53	9.76	-62.49
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CSC=C1	REAL300012521447	0	43	0.0	-79.69	343.33	8.27	-71.42
COC1CN(C(=O)NCC(C2=CSC=C2)[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012521448	0	49	0.0	-77.39	386.41	7.15	-70.24
C[NH+](C)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1=CSC=C1	REAL300012521449	0	52	0.0	-70.61	408.40	6.62	-63.99
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CSC=C1	REAL300012521450	0	47	0.0	-68.21	364.47	7.73	-60.48
C=C(Cl)CC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521451	0	42	0.0	-65.98	366.08	6.88	-59.10
C=C(C)CC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521452	0	45	0.0	-69.27	370.52	7.12	-62.15
C[NH+](C)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CSC=C1	REAL300012521453	0	46	0.0	-85.93	354.37	9.98	-75.95
C[NH+](C)C(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1=CSC=C1	REAL300012521454	0	51	0.0	-70.41	405.22	9.00	-61.41
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1=CSC=C1	REAL300012521455	0	42	0.0	-72.29	345.31	8.69	-63.60
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CSC=C1	REAL300012521456	0	42	0.0	-75.60	342.84	7.76	-67.84
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CSC=C2)[NH+](C)C)C1	REAL300012521457	0	43	0.0	-74.63	350.73	7.73	-66.90
C[NH+](C)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1=CSC=C1	REAL300012521458	0	52	0.0	-69.89	408.72	6.54	-63.35
CC(C)C[C@H](NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521459	0	47	0.0	-68.80	375.94	7.03	-61.77
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CSC=C1	REAL300012521460	0	49	0.0	-68.21	385.31	5.80	-62.41
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012521461	0	45	0.0	-72.51	373.15	7.85	-64.66
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CSC=C1	REAL300012521462	0	45	0.0	-68.30	368.86	7.28	-61.02
C[NH+](C)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1=CSC=C1	REAL300012521463	0	44	0.0	-69.90	381.75	5.94	-63.96
CC(C)CCCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521464	0	53	0.0	-68.70	419.44	8.64	-60.06
C[NH+](C)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C1=CSC=C1	REAL300012521465	0	49	0.0	-75.47	393.43	6.12	-69.35
CSCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521466	0	42	0.0	-66.65	361.07	6.17	-60.48
COC[C@H](NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521467	0	42	0.0	-69.45	348.62	3.95	-65.50
C[NH+](C)C(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CSC=C1	REAL300012521468	0	48	0.0	-70.93	402.03	8.81	-62.12
CCC(C)CC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521469	0	50	0.0	-69.89	394.31	7.67	-62.22
C=CCCCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521470	0	48	0.0	-68.89	393.18	7.92	-60.97
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CSC=C1	REAL300012521471	0	48	0.0	-68.03	402.02	8.80	-59.23
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C1=CSC=C1	REAL300012521472	0	51	0.0	-73.93	414.24	10.05	-63.88
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CSC=C1	REAL300012521473	0	43	0.0	-75.93	347.64	8.82	-67.11
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012521474	0	48	0.0	-72.75	381.45	8.58	-64.17
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012521475	0	42	0.0	-79.37	333.76	8.32	-71.05
CCCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521476	0	44	0.0	-68.81	358.87	6.58	-62.23
CC(C)[C@@H](NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521477	0	44	0.0	-70.80	352.37	6.33	-64.47
C[NH+](C)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CSC=C1	REAL300012521478	0	46	0.0	-79.61	357.23	9.25	-70.36
CCN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012521479	0	47	0.0	-70.98	362.27	8.54	-62.44
CCCN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012521480	0	47	0.0	-50.61	368.16	9.16	-41.45
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CSC=C1	REAL300012521481	0	41	0.0	-65.83	350.05	8.06	-57.77
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CSC=C1	REAL300012521482	0	41	0.0	-65.83	350.05	8.06	-57.77
CN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012521483	0	44	0.0	-71.38	342.63	7.67	-63.71
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CSC=C1	REAL300012521484	0	42	0.0	-77.20	336.37	7.67	-69.53
C[NH+](C)C(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1=CSC=C1	REAL300012521485	0	54	0.0	-56.94	423.52	6.01	-50.93
C[NH+](C)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012521486	0	43	0.0	-82.26	345.01	4.92	-77.34
CN(C)C(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CSC=C1	REAL300012521487	1	58	0.0	-58.53	439.44	5.51	-53.02
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521488	0	49	0.0	-77.97	385.31	11.15	-66.82
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC(C2=CSC=C2)[NH+](C)C)[C@H]1C(=O)[O-]	REAL300012521489	0	52	0.0	-63.88	400.43	10.74	-53.14
CCC[C@@H](NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521490	0	44	0.0	-71.57	358.74	6.50	-65.07
C[NH+](C)C(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C1=CSC=C1	REAL300012521491	0	50	0.0	-73.28	393.95	8.98	-64.30
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012521492	0	45	0.0	-72.03	373.16	7.88	-64.15
C[NH+](C)C(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1=CSC=C1	REAL300012521493	0	50	0.0	-71.50	413.90	7.78	-63.72
C=CCCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521494	0	45	0.0	-69.18	371.93	7.08	-62.10
C[NH+](C)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1=CSC=C1	REAL300012521495	0	44	0.0	-73.88	381.93	5.80	-68.08
C[NH+](C)C(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1=CSC=C1	REAL300012521496	0	45	0.0	-65.02	401.47	7.61	-57.41
C[NH+](C)C(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1=CSC=C1	REAL300012521497	1	45	0.0	-84.79	366.52	5.24	-79.55
CN1CC(C(=O)[O-])N(C(=O)NCC(C2=CSC=C2)[NH+](C)C)CC1=O	REAL300012521498	0	46	0.0	-68.97	358.83	7.51	-61.46
C[NH+](C)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CSC=C1	REAL300012521499	0	45	0.0	-77.27	353.59	8.21	-69.06
CC(C)[C@H](NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521500	0	44	0.0	-66.88	351.43	6.27	-60.61
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300012521501	0	45	0.0	-69.28	372.78	7.82	-61.46
C[NH+](C)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1=CSC=C1	REAL300012521502	0	48	0.0	-73.14	382.86	7.15	-65.99
CCC[C@H](NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521503	0	44	0.0	-68.52	358.75	6.50	-62.02
CCN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012521504	0	44	0.0	-66.65	344.81	7.48	-59.17
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CSC=C1	REAL300012521505	0	48	0.0	-59.83	371.53	9.11	-50.72
CC(CN(C)C(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521506	0	44	0.0	-72.56	347.96	7.22	-65.34
CC[C@H](C)[C@H](NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521507	0	47	0.0	-69.28	368.49	6.69	-62.59
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521508	0	44	0.0	-66.08	348.72	7.86	-58.22
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CSC=C1	REAL300012521509	0	46	0.0	-80.00	369.27	3.63	-76.37
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521510	0	54	0.0	-70.59	420.08	7.11	-63.48
CC1CCC(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012521511	0	48	0.0	-71.24	369.71	8.39	-62.85
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1=CSC=C1	REAL300012521512	0	51	0.0	-70.90	382.78	8.20	-62.70
COCCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521513	0	45	0.0	-69.18	371.05	4.87	-64.31
CN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012521514	0	51	0.0	-68.66	404.61	10.68	-57.98
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CSC=C1	REAL300012521515	0	48	0.0	-76.16	374.93	8.15	-68.01
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CSC=C1	REAL300012521516	0	45	0.0	-70.64	366.18	6.83	-63.81
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521517	0	54	0.0	-73.49	421.18	7.01	-66.48
C[NH+](C)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012521518	0	43	0.0	-79.89	347.08	4.14	-75.75
C[NH+](C)C(CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1=CSC=C1	REAL300012521519	0	53	0.0	-63.96	415.64	11.37	-52.59
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CSC=C1	REAL300012521520	0	46	0.0	-71.99	364.03	4.76	-67.23
C[NH+](C)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CSC=C1	REAL300012521521	0	46	0.0	-80.86	358.47	8.80	-72.06
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1=CSC=C1	REAL300012521522	0	49	0.0	-80.05	405.33	7.87	-72.18
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CSC=C1	REAL300012521523	0	44	0.0	-76.11	350.84	6.50	-69.61
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CSC=C2)[NH+](C)C)C1	REAL300012521524	0	48	0.0	-77.70	368.71	9.52	-68.18
CC(C1=CC=CC=C1)C(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521525	0	51	0.0	-71.62	411.23	9.12	-62.50
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CSC=C1	REAL300012521526	0	52	0.0	-71.77	405.49	9.54	-62.23
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CSC=C1	REAL300012521527	0	45	0.0	-72.53	364.02	6.77	-65.76
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1=CSC=C1	REAL300012521528	0	58	0.0	-70.88	430.97	8.59	-62.29
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CSC=C1	REAL300012521529	0	51	0.0	-70.41	390.69	8.03	-62.38
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CSC=C1	REAL300012521530	0	45	0.0	-72.53	364.02	6.77	-65.76
CC1CCN(C(=O)NCC(C2=CSC=C2)[NH+](C)C)C1C(=O)[O-]	REAL300012521531	0	45	0.0	-78.69	357.73	7.96	-70.73
C=CCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521532	0	42	0.0	-69.11	350.90	6.20	-62.91
C[NH+](C)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CSC=C1	REAL300012521533	0	52	0.0	-71.17	409.48	7.45	-63.72
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1=CSC=C1	REAL300012521534	0	52	0.0	-50.78	383.77	9.48	-41.30
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1=CSC=C1	REAL300012521535	0	52	0.0	-71.07	387.33	6.76	-64.31
CC1=CC=CC2=C1CCN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)C2C(=O)[O-]	REAL300012521536	0	52	0.0	-58.81	402.00	11.70	-47.11
C[NH+](C)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CSC=C1	REAL300012521537	0	46	0.0	-55.90	358.81	8.64	-47.26
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CSC=C1	REAL300012521538	0	52	0.0	-71.77	405.49	9.54	-62.23
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CSC=C1	REAL300012521539	0	48	0.0	-71.59	402.22	8.89	-62.70
COC1CC(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012521540	0	46	0.0	-75.30	372.09	5.42	-69.88
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1=CSC=C1	REAL300012521541	0	42	0.0	-71.48	347.18	6.48	-65.00
CO[C@H]1C[C@](NC(=O)NCC(C2=CSC=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012521542	0	46	0.0	-72.38	366.26	6.20	-66.18
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1=CSC=C1	REAL300012521543	0	45	0.0	-68.34	378.94	7.21	-61.13
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521544	0	48	0.0	-77.09	368.60	9.36	-67.73
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CSC=C1	REAL300012521545	0	41	0.0	-64.52	353.55	6.45	-58.07
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CSC=C1	REAL300012521546	0	49	0.0	-74.15	391.06	5.74	-68.41
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])COC1)C1=CSC=C1	REAL300012521547	0	40	0.0	-67.61	329.55	3.49	-64.12
C[NH+](C)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CSC=C1	REAL300012521548	0	45	0.0	-73.38	387.91	7.81	-65.57
COCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012521549	0	52	0.0	-69.60	414.75	7.82	-61.78
CC(C)C(C)(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521550	0	47	0.0	-68.54	356.68	6.75	-61.79
C[NH+](C)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012521551	0	43	0.0	-79.39	343.72	8.77	-70.62
C[NH+](C)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012521552	0	46	0.0	-75.67	355.59	9.29	-66.38
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521553	0	51	0.0	-50.92	403.88	11.51	-39.41
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CSC=C1	REAL300012521554	0	54	0.0	-72.38	417.58	8.92	-63.46
C[NH+](C)C(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CSC=C1	REAL300012521555	0	51	0.0	-68.91	417.82	9.52	-59.39
C[NH+](C)C(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CSC=C1	REAL300012521556	0	51	0.0	-72.21	418.41	9.58	-62.63
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1=CSC=C1	REAL300012521557	0	52	0.0	-73.30	394.12	9.29	-64.01
C[NH+](C)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1=CSC=C1	REAL300012521558	0	54	0.0	-72.37	417.58	8.93	-63.44
C[NH+](C)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1=CSC=C1	REAL300012521559	0	54	0.0	-69.06	417.58	8.93	-60.13
C[NH+](C)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1=CSC=C1	REAL300012521560	0	52	0.0	-35.69	388.33	10.16	-25.53
C[NH+](C)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012521561	0	52	0.0	-77.32	395.17	9.34	-67.98
COC1=CC=C(CC(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012521562	0	52	0.0	-69.53	425.11	8.04	-61.49
C=CCSCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521563	0	46	0.0	-66.64	395.35	7.62	-59.02
C[NH+](C)C(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C1=CSC=C1	REAL300012521564	0	49	0.0	-68.76	416.20	9.20	-59.56
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521565	0	47	0.0	-67.19	361.82	8.45	-58.74
COC1(C(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012521566	0	49	0.0	-65.97	384.75	5.32	-60.65
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C1=CSC=C1	REAL300012521567	0	51	0.0	-69.50	398.74	8.74	-60.76
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C1=CSC=C1	REAL300012521568	0	52	0.0	-72.05	405.09	9.88	-62.17
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1=CSC=C1	REAL300012521569	0	45	0.0	-71.18	372.69	7.36	-63.82
CC(C)C1=CC=C(C(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012521571	0	54	0.0	-71.64	433.38	9.81	-61.83
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CSC=C1	REAL300012521572	0	42	0.0	-75.60	342.84	7.76	-67.84
C[NH+](C)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CSC=C1	REAL300012521573	0	44	0.0	-53.01	352.61	8.47	-44.54
C[NH+](C)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CSC=C1	REAL300012521574	0	48	0.0	-77.98	368.68	8.61	-69.37
CCOC1=CC=C(C(NC(=O)NCC(C2=CSC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012521575	0	52	0.0	-71.72	424.52	8.10	-63.62
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1=CSC=C1	REAL300012521576	0	52	0.0	-78.45	391.39	10.58	-67.87
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C1=CSC=C1	REAL300012521577	0	52	0.0	-73.16	415.40	9.66	-63.50
C[NH+](C)C(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1=CSC=C1	REAL300012521578	0	52	0.0	-76.40	415.84	8.83	-67.57
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1=CSC=C1	REAL300012521579	0	48	0.0	-72.22	409.65	8.73	-63.49
CC(C)CCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521580	0	50	0.0	-69.47	398.18	7.82	-61.65
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1=CSC=C1	REAL300012521581	0	49	0.0	-49.70	380.17	10.00	-39.70
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CSC=C1	REAL300012521582	0	49	0.0	-74.15	391.06	5.74	-68.41
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CSC=C2)[NH+](C)C)C1	REAL300012521583	0	46	0.0	-75.21	379.65	8.84	-66.37
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1=CSC=C1	REAL300012521584	0	49	0.0	-73.69	375.32	8.32	-65.37
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CSC=C1	REAL300012521585	0	46	0.0	-72.41	359.72	7.67	-64.74
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1=CSC=C1	REAL300012521586	0	49	0.0	-73.21	381.00	8.06	-65.15
CN(C(=O)NCC(C1=CSC=C1)[NH+](C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012521587	0	51	0.0	-72.68	406.22	10.70	-61.98
C[NH+](C)C(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1=CSC=C1	REAL300012521588	0	55	0.0	-54.85	412.41	10.10	-44.75
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CSC=C1	REAL300012521589	0	48	0.0	-72.26	379.04	7.45	-64.81
CO[C@H](C)[C@H](NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521590	0	45	0.0	-69.03	366.77	4.96	-64.07
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521591	0	45	0.0	-73.80	360.12	7.46	-66.34
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CSC=C1	REAL300012521592	0	48	0.0	-60.53	394.54	10.56	-49.97
C[NH+](C)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CSC=C1	REAL300012521593	0	48	0.0	-54.60	377.92	8.28	-46.32
C[NH+](C)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1=CSC=C1	REAL300012521594	0	45	0.0	-75.17	358.60	8.75	-66.42
C[NH+](C)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1=CSC=C1	REAL300012521595	0	42	0.0	-83.70	344.63	8.76	-74.94
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CSC=C1	REAL300012521596	0	48	0.0	-71.59	402.22	8.89	-62.70
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CSC=C1	REAL300012521597	0	45	0.0	-68.19	386.25	7.71	-60.48
C[NH+](C)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1=CSC=C1	REAL300012521598	0	45	0.0	-67.13	365.19	8.29	-58.84
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1=CSC=C1	REAL300012521599	0	49	0.0	-77.56	396.90	9.38	-68.18
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CSC=C1	REAL300012521600	0	45	0.0	-68.19	386.25	7.71	-60.48
C[NH+](C)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012521601	0	49	0.0	-79.08	373.82	8.72	-70.36
COCCCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521602	0	48	0.0	-69.07	392.79	5.59	-63.48
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300012521603	0	47	0.0	-66.96	370.59	8.66	-58.30
CCOCC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300012521604	0	45	0.0	-70.80	371.18	5.01	-65.79
C[NH+](C)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CSC=C1	REAL300012521605	0	50	0.0	-72.27	387.04	8.12	-64.15
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C1=CSC=C1	REAL300012521606	0	49	0.0	-75.00	387.74	5.86	-69.14
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CSC=C1	REAL300012521607	0	49	0.0	-71.11	391.72	8.99	-62.12
C[C@H]1OCCN(C(=O)NCC(C2=CSC=C2)[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012521608	0	46	0.0	-78.48	356.86	8.23	-70.25
C[NH+](C)C(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1=CSC=C1	REAL300012521609	0	48	0.0	-70.51	379.01	8.62	-61.89
C[NH+](C)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CSC=C1	REAL300012521610	0	42	0.0	-71.12	358.47	6.26	-64.86
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1=CSC=C1	REAL300012521611	0	45	0.0	-62.05	370.25	8.43	-53.62
C[NH+](C)C(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1=CSC=C1	REAL300012521612	0	56	0.0	-76.68	409.70	9.48	-67.20
C[NH+](C)C(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1=CSC=C1	REAL300012521613	0	47	0.0	-67.67	407.17	7.42	-60.25
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CSC=C2)[NH+](C)C)C1	REAL300012521614	0	49	0.0	-73.15	390.17	7.67	-65.48
CC(C)C[C@H](NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521615	0	53	0.0	-68.46	380.00	7.57	-60.89
CC(C)C[C@H](NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521615	1	53	0.0	-68.72	388.02	7.88	-60.84
C=CCOCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521616	0	52	0.0	-68.11	394.51	6.09	-62.02
C=CCOCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521616	1	52	0.0	-66.90	395.94	6.35	-60.55
C=CC(C)C(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521617	0	51	0.0	-67.65	368.16	7.46	-60.19
C=CC(C)C(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521617	1	51	0.0	-66.85	366.85	7.15	-59.70
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+]1CCCC(C)C1	REAL300012521618	0	55	0.0	-65.02	388.37	6.27	-58.75
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+]1CCCC(C)C1	REAL300012521618	1	55	0.0	-65.85	389.72	6.58	-59.27
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[N@@H+]1CCCC(C)C1	REAL300012521619	0	51	0.0	-61.90	396.68	8.53	-53.37
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[N@H+]1CCCC(C)C1	REAL300012521619	1	51	0.0	-65.76	398.24	8.76	-57.00
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[N@@H+]1CCCC(C)C1	REAL300012521620	0	51	0.0	-62.31	406.82	8.90	-53.41
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[N@H+]1CCCC(C)C1	REAL300012521620	1	51	0.0	-64.95	407.53	9.24	-55.71
COC1CCN(C(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012521621	0	55	0.0	-77.55	389.78	8.63	-68.92
COC1CCN(C(=O)NCC(C)[N@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012521621	1	55	0.0	-78.17	381.74	8.55	-69.62
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@@H+]1CCCC(C)C1	REAL300012521622	0	55	0.0	-65.07	390.59	6.69	-58.38
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@H+]1CCCC(C)C1	REAL300012521622	1	55	0.0	-66.38	389.28	6.37	-60.01
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521623	0	54	0.0	-78.73	373.52	10.18	-68.55
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521623	1	54	0.0	-76.18	378.37	9.74	-66.44
CC1=CC(C(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])=CC=C1F	REAL300012521624	0	54	0.0	-64.41	405.54	9.35	-55.06
CC1=CC(C(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])=CC=C1F	REAL300012521624	1	54	0.0	-65.57	405.26	9.43	-56.14
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)[N@@H+]1CCCC(C)C1	REAL300012521625	0	56	0.0	-67.85	414.54	8.58	-59.27
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)[N@H+]1CCCC(C)C1	REAL300012521625	1	56	0.0	-67.68	419.90	8.25	-59.43
CC1=CC(C(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])=CC(C)=C1	REAL300012521626	0	57	0.0	-68.59	420.30	9.67	-58.92
CC1=CC(C(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])=CC(C)=C1	REAL300012521626	1	57	0.0	-70.12	428.40	9.97	-60.15
CC1=CC=C(C(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1C	REAL300012521627	0	57	0.0	-68.16	415.63	9.63	-58.53
CC1=CC=C(C(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1C	REAL300012521627	1	57	0.0	-67.11	415.64	9.63	-57.48
COC1=CC=C(C(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1Cl	REAL300012521628	0	55	0.0	-65.33	429.71	8.19	-57.14
COC1=CC=C(C(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1Cl	REAL300012521628	1	55	0.0	-68.18	430.46	8.52	-59.66
CC1=CC=CC(C(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1C	REAL300012521629	0	57	0.0	-68.77	408.13	9.39	-59.38
CC1=CC=CC(C(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])=C1C	REAL300012521629	1	57	0.0	-68.77	416.23	9.78	-58.99
COC1=CC=C(C(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1F	REAL300012521630	0	55	0.0	-65.59	419.91	7.70	-57.89
COC1=CC=C(C(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1F	REAL300012521630	1	55	0.0	-69.11	420.65	8.03	-61.08
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[N@@H+]1CCCC(C)C1	REAL300012521631	0	54	0.0	-55.67	380.36	9.21	-46.46
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[N@H+]1CCCC(C)C1	REAL300012521631	1	54	0.0	-55.38	381.83	9.56	-45.82
CCCN(C(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(COC)C(=O)[O-]	REAL300012521632	0	57	0.0	-65.94	398.02	8.36	-57.58
CCCN(C(=O)NCC(C)[N@H+]1CCCC(C)C1)C(COC)C(=O)[O-]	REAL300012521632	1	57	0.0	-68.71	411.73	10.12	-58.59
CCCN(C(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(CC)C(=O)[O-]	REAL300012521633	0	56	0.0	-64.03	387.00	9.70	-54.33
CCCN(C(=O)NCC(C)[N@H+]1CCCC(C)C1)C(CC)C(=O)[O-]	REAL300012521633	1	56	0.0	-44.34	380.77	10.43	-33.91
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521634	0	51	0.0	-76.52	359.13	9.51	-67.01
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521634	1	51	0.0	-77.30	351.41	9.47	-67.83
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@@H+]1CCCC(C)C1	REAL300012521635	0	51	0.0	-65.15	395.56	9.17	-55.98
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@H+]1CCCC(C)C1	REAL300012521635	1	51	0.0	-64.59	401.67	9.19	-55.40
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521636	0	49	0.0	-75.42	352.75	9.73	-65.69
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521636	1	49	0.0	-75.36	351.36	9.36	-66.00
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+]1CCCC(C)C1	REAL300012521637	0	54	0.0	-70.55	377.56	8.48	-62.07
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@H+]1CCCC(C)C1	REAL300012521637	1	54	0.0	-72.29	372.19	8.79	-63.50
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@@H+]1CCCC(C)C1	REAL300012521638	0	51	0.0	-71.80	357.70	7.70	-64.10
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@H+]1CCCC(C)C1	REAL300012521638	1	51	0.0	-72.35	362.76	7.35	-65.00
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@@H+]1CCCC(C)C1	REAL300012521639	0	57	0.0	-72.71	376.17	9.12	-63.59
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@H+]1CCCC(C)C1	REAL300012521639	1	57	0.0	-73.28	377.84	9.46	-63.82
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521640	0	54	0.0	-68.63	399.74	9.28	-59.35
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521640	1	54	0.0	-67.04	407.75	9.58	-57.46
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300012521641	0	54	0.0	-51.30	404.89	11.08	-40.22
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300012521641	1	54	0.0	-49.80	392.15	10.80	-39.00
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300012521642	0	51	0.0	-67.46	377.24	8.42	-59.04
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300012521642	1	51	0.0	-69.20	385.55	8.63	-60.57
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300012521643	0	51	0.0	-66.47	385.50	8.62	-57.85
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300012521643	1	51	0.0	-67.69	383.59	8.36	-59.33
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521644	0	54	0.0	-68.63	399.74	9.28	-59.35
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521644	1	54	0.0	-67.04	407.75	9.58	-57.46
CCC(C)C(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521645	0	53	0.0	-67.51	373.24	7.56	-59.95
CCC(C)C(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521645	1	53	0.0	-67.42	373.87	7.54	-59.88
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521646	0	51	0.0	-76.52	359.13	9.51	-67.01
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521646	1	51	0.0	-77.30	351.41	9.47	-67.83
CCCC(C)(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521647	0	53	0.0	-65.69	368.22	7.72	-57.97
CCCC(C)(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521647	1	53	0.0	-65.77	368.27	7.71	-58.06
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCCC(C)C1	REAL300012521648	0	53	0.0	-47.77	383.45	9.64	-38.13
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1CCCC(C)C1	REAL300012521648	1	53	0.0	-49.55	383.25	9.44	-40.11
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521649	0	55	0.0	-77.12	397.23	11.71	-65.41
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521649	1	55	0.0	-77.42	397.34	11.78	-65.64
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[N@@H+]1CCCC(C)C1	REAL300012521650	0	51	0.0	-68.09	361.67	7.37	-60.72
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[N@H+]1CCCC(C)C1	REAL300012521650	1	51	0.0	-69.17	354.64	7.38	-61.79
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[N@@H+]1CCCC(C)C1	REAL300012521651	0	48	0.0	-66.56	369.08	7.42	-59.14
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[N@H+]1CCCC(C)C1	REAL300012521651	1	48	0.0	-65.77	376.56	7.75	-58.02
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+]1CCCC(C)C1	REAL300012521652	0	54	0.0	-70.55	377.56	8.48	-62.07
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@H+]1CCCC(C)C1	REAL300012521652	1	54	0.0	-72.29	372.19	8.79	-63.50
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)[N@@H+]1CCCC(C)C1	REAL300012521653	0	54	0.0	-50.77	423.44	11.86	-38.91
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)[N@H+]1CCCC(C)C1	REAL300012521653	1	54	0.0	-51.27	418.79	11.61	-39.66
CC(CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521654	0	58	0.0	-65.62	436.24	9.60	-56.02
CC(CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521654	1	58	0.0	-70.58	430.42	9.64	-60.94
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521655	0	53	0.0	-68.16	377.55	7.19	-60.97
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521655	1	53	0.0	-68.20	378.56	7.25	-60.95
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@@H+]1CCCC(C)C1	REAL300012521656	0	51	0.0	-71.80	357.70	7.70	-64.10
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@H+]1CCCC(C)C1	REAL300012521656	1	51	0.0	-72.35	362.76	7.35	-65.00
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[N@@H+]1CCCC(C)C1	REAL300012521657	0	54	0.0	-51.02	413.11	11.41	-39.61
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[N@H+]1CCCC(C)C1	REAL300012521657	1	54	0.0	-51.49	408.47	11.15	-40.34
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@@H+]1CCCC(C)C1	REAL300012521658	0	55	0.0	-71.33	403.25	9.62	-61.71
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@H+]1CCCC(C)C1	REAL300012521658	1	55	0.0	-72.03	405.05	9.90	-62.13
CC(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)[N@@H+]1CCCC(C)C1	REAL300012521659	0	51	0.0	-68.99	389.57	8.83	-60.16
CC(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)[N@H+]1CCCC(C)C1	REAL300012521659	1	51	0.0	-67.32	395.53	8.79	-58.53
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300012521660	0	54	0.0	-67.66	386.60	9.48	-58.18
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300012521660	1	54	0.0	-69.37	386.53	9.44	-59.93
CCCCCCC(C)(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521661	0	62	0.0	-65.87	432.72	10.05	-55.82
CCCCCCC(C)(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521661	1	62	0.0	-65.94	432.76	10.04	-55.90
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521662	0	57	0.0	-68.90	415.49	11.30	-57.60
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521662	1	57	0.0	-70.12	417.01	11.24	-58.88
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@@H+]1CCCC(C)C1	REAL300012521663	0	51	0.0	-65.15	395.56	9.17	-55.98
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@H+]1CCCC(C)C1	REAL300012521663	1	51	0.0	-64.59	401.67	9.19	-55.40
CC(CNC(=O)N1CCOCC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521664	0	49	0.0	-73.97	343.77	7.14	-66.83
CC(CNC(=O)N1CCOCC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521664	1	49	0.0	-73.41	341.91	6.76	-66.65
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[N@@H+]1CCCC(C)C1	REAL300012521665	0	57	0.0	-72.31	386.26	9.80	-62.51
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[N@H+]1CCCC(C)C1	REAL300012521665	1	57	0.0	-75.25	388.16	10.10	-65.15
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521666	0	57	0.0	-50.41	421.98	12.17	-38.24
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521666	1	57	0.0	-51.29	428.74	12.16	-39.13
CC(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300012521667	0	54	0.0	-65.43	384.31	9.86	-55.57
CC(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300012521667	1	54	0.0	-71.12	388.31	10.93	-60.19
COCCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCCC(C)C1	REAL300012521668	0	51	0.0	-51.02	372.00	7.58	-43.44
COCCN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1CCCC(C)C1	REAL300012521668	1	51	0.0	-51.89	370.58	7.26	-44.63
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)[N@@H+]1CCCC(C)C1	REAL300012521669	0	55	0.0	-72.96	393.43	9.72	-63.24
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)[N@H+]1CCCC(C)C1	REAL300012521669	1	55	0.0	-73.71	400.23	9.72	-63.99
CC(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521670	0	51	0.0	-76.58	350.72	9.12	-67.46
CC(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521670	1	51	0.0	-76.93	350.50	9.12	-67.81
CC(CNC(=O)N1CCCC1(C)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521671	0	51	0.0	-71.50	363.86	8.71	-62.79
CC(CNC(=O)N1CCCC1(C)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521671	1	51	0.0	-71.58	357.11	8.76	-62.82
CC(CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521672	0	58	0.0	-74.93	433.38	9.28	-65.65
CC(CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521672	1	58	0.0	-77.92	441.70	9.51	-68.41
CC(CNC(=O)N1CCCCCC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521673	0	54	0.0	-76.79	372.75	10.00	-66.79
CC(CNC(=O)N1CCCCCC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521673	1	54	0.0	-76.33	372.48	10.09	-66.24
CCCCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521674	0	53	0.0	-66.82	391.03	7.80	-59.02
CCCCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521674	1	53	0.0	-65.15	392.32	8.11	-57.04
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521675	0	57	0.0	-50.41	421.98	12.17	-38.24
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521675	1	57	0.0	-51.29	428.74	12.16	-39.13
CC(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521676	0	51	0.0	-70.96	365.20	9.02	-61.94
CC(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521676	1	51	0.0	-73.48	365.27	9.01	-64.47
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+]1CCCC(C)C1	REAL300012521677	0	54	0.0	-46.72	382.33	9.63	-37.09
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@H+]1CCCC(C)C1	REAL300012521677	1	54	0.0	-47.98	375.28	9.61	-38.37
COCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521678	0	48	0.0	-69.70	359.89	4.49	-65.21
COCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521678	1	48	0.0	-69.77	359.87	4.50	-65.27
CCCCCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521679	0	56	0.0	-66.16	412.29	8.64	-57.52
CCCCCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521679	1	56	0.0	-67.54	412.98	8.90	-58.64
CCC1CCC(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)(C(=O)[O-])CC1	REAL300012521680	0	60	0.0	-65.71	403.50	9.03	-56.68
CCC1CCC(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)(C(=O)[O-])CC1	REAL300012521680	1	60	0.0	-68.36	417.91	10.03	-58.33
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@@H+]1CCCC(C)C1	REAL300012521681	0	55	0.0	-54.08	391.20	8.31	-45.77
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@H+]1CCCC(C)C1	REAL300012521681	1	55	0.0	-51.27	384.02	7.98	-43.29
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)[N@@H+]1CCCC(C)C1	REAL300012521682	0	54	0.0	-76.01	373.25	9.11	-66.90
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)[N@H+]1CCCC(C)C1	REAL300012521682	1	54	0.0	-72.42	368.05	9.40	-63.02
CC(CNC(=O)N(C(C)C(=O)[O-])C1CC1)[N@@H+]1CCCC(C)C1	REAL300012521683	0	51	0.0	-51.68	365.74	9.02	-42.66
CC(CNC(=O)N(C(C)C(=O)[O-])C1CC1)[N@H+]1CCCC(C)C1	REAL300012521683	1	51	0.0	-50.80	366.68	9.15	-41.65
CCC(C(=O)[O-])N(C(=O)NCC(C)[N@@H+]1CCCC(C)C1)C1CC1	REAL300012521684	0	54	0.0	-55.37	386.50	10.01	-45.36
CCC(C(=O)[O-])N(C(=O)NCC(C)[N@H+]1CCCC(C)C1)C1CC1	REAL300012521684	1	54	0.0	-57.86	378.90	10.21	-47.65
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)[N@@H+]1CCCC(C)C1	REAL300012521685	0	51	0.0	-69.85	387.63	8.76	-61.09
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)[N@H+]1CCCC(C)C1	REAL300012521685	1	51	0.0	-70.47	397.51	9.07	-61.40
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)[N@@H+]1CCCC(C)C1	REAL300012521686	0	51	0.0	-73.61	381.08	8.44	-65.17
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)[N@H+]1CCCC(C)C1	REAL300012521686	1	51	0.0	-74.66	389.96	8.74	-65.92
CC(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521687	0	55	0.0	-53.62	400.94	10.99	-42.63
CC(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521687	1	55	0.0	-53.91	392.49	10.63	-43.28
CC(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521688	0	54	0.0	-73.48	420.29	9.53	-63.95
CC(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521688	1	54	0.0	-73.46	421.13	9.51	-63.95
CC(CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521689	0	60	0.0	-72.64	443.15	11.42	-61.22
CC(CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521689	1	60	0.0	-68.19	438.46	12.34	-55.85
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521690	0	60	0.0	-67.61	428.36	9.46	-58.15
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521690	1	60	0.0	-65.71	421.35	9.56	-56.15
CC(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300012521691	0	57	0.0	-53.03	413.78	12.03	-41.00
CC(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300012521691	1	57	0.0	-54.66	416.57	11.94	-42.72
CC1=CC=C(C(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012521692	0	54	0.0	-68.54	398.83	9.01	-59.53
CC1=CC=C(C(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012521692	1	54	0.0	-67.20	406.31	9.33	-57.87
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521693	0	47	0.0	-62.69	363.98	6.96	-55.73
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521693	1	47	0.0	-59.33	365.01	7.34	-51.99
CC(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[N@@H+]1CCCC(C)C1	REAL300012521694	0	57	0.0	-69.71	424.78	10.93	-58.78
CC(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[N@H+]1CCCC(C)C1	REAL300012521694	1	57	0.0	-70.03	431.53	10.93	-59.10
CC(CNC(=O)NC1(C(=O)[O-])CCSCC1)[N@@H+]1CCCC(C)C1	REAL300012521695	0	52	0.0	-66.60	376.54	8.46	-58.14
CC(CNC(=O)NC1(C(=O)[O-])CCSCC1)[N@H+]1CCCC(C)C1	REAL300012521695	1	52	0.0	-68.61	376.48	8.44	-60.17
COCC(C)(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521696	0	51	0.0	-70.09	364.97	6.24	-63.85
COCC(C)(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521696	1	51	0.0	-70.12	365.01	6.24	-63.88
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1CCCC(C)C1	REAL300012521697	0	54	0.0	-65.17	383.99	7.64	-57.53
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1CCCC(C)C1	REAL300012521697	1	54	0.0	-65.28	383.67	7.58	-57.70
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCCC(C)C1	REAL300012521698	0	53	0.0	-47.77	383.45	9.64	-38.13
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1CCCC(C)C1	REAL300012521698	1	53	0.0	-49.55	383.25	9.44	-40.11
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCCC(C)C1	REAL300012521699	0	60	0.0	-41.99	416.21	11.53	-30.46
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)[N@H+]1CCCC(C)C1	REAL300012521699	1	60	0.0	-49.12	422.84	12.18	-36.94
CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521700	0	50	0.0	-50.48	380.25	9.54	-40.94
CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521700	1	50	0.0	-53.74	382.69	9.22	-44.52
CC(CNC(=O)NC1(C(=O)[O-])CCOC1)[N@@H+]1CCCC(C)C1	REAL300012521701	0	49	0.0	-65.71	348.25	5.07	-60.64
CC(CNC(=O)NC1(C(=O)[O-])CCOC1)[N@H+]1CCCC(C)C1	REAL300012521701	1	49	0.0	-64.79	354.93	5.11	-59.68
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@@H+]1CCCC(C)C1	REAL300012521702	0	57	0.0	-69.85	401.25	9.04	-60.81
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@H+]1CCCC(C)C1	REAL300012521702	1	57	0.0	-67.04	399.96	8.72	-58.32
CC(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521703	0	58	0.0	-66.27	419.50	9.36	-56.91
CC(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521703	1	58	0.0	-66.48	417.37	9.05	-57.43
CC(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300012521704	0	58	0.0	-42.63	419.22	12.01	-30.62
CC(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300012521704	1	58	0.0	-73.89	419.07	12.37	-61.52
CC(CNC(=O)NC1(C(=O)[O-])CCOCC1)[N@@H+]1CCCC(C)C1	REAL300012521705	0	52	0.0	-69.83	362.17	6.00	-63.83
CC(CNC(=O)NC1(C(=O)[O-])CCOCC1)[N@H+]1CCCC(C)C1	REAL300012521705	1	52	0.0	-68.18	363.53	6.29	-61.89
C=CCCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521706	0	51	0.0	-67.76	382.11	7.64	-60.12
C=CCCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521706	1	51	0.0	-66.57	382.32	7.59	-58.98
CC(CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521707	0	57	0.0	-45.11	417.24	12.04	-33.07
CC(CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521707	1	57	0.0	-47.01	400.30	12.11	-34.90
CCC(CC)(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521708	0	53	0.0	-67.24	361.83	7.53	-59.71
CCC(CC)(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521708	1	53	0.0	-67.81	361.81	7.50	-60.31
COC1=CC=C(C(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012521709	0	55	0.0	-67.93	408.08	8.03	-59.90
COC1=CC=C(C(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012521709	1	55	0.0	-68.46	415.03	7.95	-60.51
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCCC(C)C1	REAL300012521710	0	53	0.0	-50.86	376.62	9.41	-41.45
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@H+]1CCCC(C)C1	REAL300012521710	1	53	0.0	-46.70	380.29	9.86	-36.84
CCC(COC)(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521711	0	54	0.0	-74.49	387.09	6.82	-67.67
CCC(COC)(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521711	1	54	0.0	-73.74	388.38	7.13	-66.61
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1CCCC(C)C1	REAL300012521712	0	57	0.0	-64.89	403.66	8.30	-56.59
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1CCCC(C)C1	REAL300012521712	1	57	0.0	-65.37	403.94	8.33	-57.04
CC(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)[N@@H+]1CCCC(C)C1	REAL300012521713	0	54	0.0	-73.68	387.06	4.44	-69.24
CC(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)[N@H+]1CCCC(C)C1	REAL300012521713	1	54	0.0	-70.71	388.63	4.79	-65.92
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521714	0	51	0.0	-67.82	378.74	7.82	-60.00
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521714	1	51	0.0	-65.60	373.41	8.15	-57.45
COCCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521715	0	51	0.0	-68.63	381.47	5.38	-63.25
COCCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521715	1	51	0.0	-68.74	383.00	5.63	-63.11
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1CCCC(C)C1	REAL300012521716	0	56	0.0	-64.27	389.83	9.61	-54.66
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1CCCC(C)C1	REAL300012521716	1	56	0.0	-65.18	392.01	10.07	-55.11
CC(CNC(=O)NC(CC(F)F)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521717	0	47	0.0	-63.51	358.65	6.79	-56.72
CC(CNC(=O)NC(CC(F)F)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521717	1	47	0.0	-63.20	359.94	7.09	-56.11
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[N@@H+]1CCCC(C)C1	REAL300012521718	0	57	0.0	-76.72	401.47	10.75	-65.97
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[N@H+]1CCCC(C)C1	REAL300012521718	1	57	0.0	-76.42	391.21	10.65	-65.77
CCCN(C(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012521719	0	53	0.0	-63.76	377.50	8.87	-54.89
CCCN(C(=O)NCC(C)[N@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012521719	1	53	0.0	-47.41	379.52	9.64	-37.77
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521720	0	57	0.0	-47.56	409.33	12.02	-35.54
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521720	1	57	0.0	-55.06	408.97	10.77	-44.29
CCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012521721	0	57	0.0	-65.31	420.28	10.82	-54.49
CCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012521721	1	57	0.0	-65.98	426.97	10.79	-55.19
CCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012521722	0	57	0.0	-70.79	408.90	9.97	-60.82
CCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012521722	1	57	0.0	-70.96	410.34	10.32	-60.64
COC1CCCC(C(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C1	REAL300012521723	0	61	0.0	-71.55	439.15	7.71	-63.84
COC1CCCC(C(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C1	REAL300012521723	1	61	0.0	-66.35	436.44	8.20	-58.15
CC(CNC(=O)NC(CCF)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521724	0	47	0.0	-67.53	354.39	6.46	-61.07
CC(CNC(=O)NC(CCF)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521724	1	47	0.0	-67.57	355.91	6.70	-60.87
COC1(CC(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012521725	0	58	0.0	-67.19	410.77	7.76	-59.43
COC1(CC(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012521725	1	58	0.0	-68.35	414.12	7.74	-60.61
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@@H+]1CCCC(C)C1	REAL300012521726	0	55	0.0	-54.08	391.20	8.31	-45.77
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@H+]1CCCC(C)C1	REAL300012521726	1	55	0.0	-51.27	384.02	7.98	-43.29
CC(CNC(=O)N(CC(=O)[O-])C1CCCCC1)[N@@H+]1CCCC(C)C1	REAL300012521727	0	57	0.0	-47.06	401.02	10.65	-36.41
CC(CNC(=O)N(CC(=O)[O-])C1CCCCC1)[N@H+]1CCCC(C)C1	REAL300012521727	1	57	0.0	-48.31	392.69	10.31	-38.00
CC(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[N@@H+]1CCCC(C)C1	REAL300012521728	0	57	0.0	-70.24	392.71	9.16	-61.08
CC(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[N@H+]1CCCC(C)C1	REAL300012521728	1	57	0.0	-72.49	385.96	9.18	-63.31
COC1=CC=CC(C(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012521729	0	55	0.0	-69.03	415.03	7.92	-61.11
COC1=CC=CC(C(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012521729	1	55	0.0	-71.51	414.81	8.01	-63.50
CC(CNC(=O)NC(C)(CCF)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521730	0	50	0.0	-62.72	353.32	7.10	-55.62
CC(CNC(=O)NC(C)(CCF)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521730	1	50	0.0	-62.79	353.36	7.09	-55.70
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521731	0	52	0.0	-54.50	382.36	9.13	-45.37
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521731	1	52	0.0	-57.28	375.65	9.17	-48.11
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521732	0	48	0.0	-68.95	361.90	8.32	-60.63
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521732	1	48	0.0	-69.34	360.25	7.97	-61.37
COC1=CC=CC([C@H](NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012521733	0	55	0.0	-69.18	408.30	7.94	-61.24
COC1=CC=CC([C@H](NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012521733	1	55	0.0	-70.08	406.06	7.64	-62.44
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)[N@@H+]2CCCC(C)C2)C1	REAL300012521734	0	57	0.0	-69.34	415.10	9.47	-59.87
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)[N@H+]2CCCC(C)C2)C1	REAL300012521734	1	57	0.0	-72.24	415.35	9.44	-62.80
COC1=CC=CC(CC(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012521735	0	58	0.0	-71.19	430.28	8.96	-62.23
COC1=CC=CC(CC(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012521735	1	58	0.0	-73.26	430.31	8.95	-64.31
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@@H+]1CCCC(C)C1	REAL300012521736	0	60	0.0	-74.82	405.44	9.38	-65.44
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@H+]1CCCC(C)C1	REAL300012521736	1	60	0.0	-73.66	399.77	9.69	-63.97
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[N@@H+]1CCCC(C)C1	REAL300012521737	0	49	0.0	-81.57	356.00	9.03	-72.54
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[N@H+]1CCCC(C)C1	REAL300012521737	1	49	0.0	-81.11	353.77	8.77	-72.34
CC(CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521738	0	57	0.0	-64.51	419.55	10.00	-54.51
CC(CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521738	1	57	0.0	-64.42	426.32	9.97	-54.45
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)[N@@H+]1CCCC(C)C1	REAL300012521739	0	56	0.0	-71.77	421.53	10.09	-61.68
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)[N@H+]1CCCC(C)C1	REAL300012521739	1	56	0.0	-74.09	421.57	10.13	-63.96
COC1CN(C(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(C)(C(=O)[O-])C1	REAL300012521740	0	55	0.0	-72.50	391.67	8.01	-64.49
COC1CN(C(=O)NCC(C)[N@H+]2CCCC(C)C2)C(C)(C(=O)[O-])C1	REAL300012521740	1	55	0.0	-71.83	390.40	7.73	-64.10
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521741	0	58	0.0	-65.63	416.30	8.14	-57.49
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521741	1	58	0.0	-66.70	409.16	8.17	-58.53
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@@H+]1CCCC(C)C1	REAL300012521742	0	53	0.0	-69.43	372.09	7.37	-62.06
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@H+]1CCCC(C)C1	REAL300012521742	1	53	0.0	-66.90	370.18	7.37	-59.53
C=C(Cl)CC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521743	0	48	0.0	-61.89	376.31	7.44	-54.45
C=C(Cl)CC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521743	1	48	0.0	-60.43	377.56	7.75	-52.68
C=C(C)CC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521744	0	51	0.0	-67.69	381.19	7.57	-60.12
C=C(C)CC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521744	1	51	0.0	-65.87	380.07	8.04	-57.83
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[N@@H+]1CCCC(C)C1	REAL300012521745	0	52	0.0	-82.76	361.86	9.52	-73.24
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[N@H+]1CCCC(C)C1	REAL300012521745	1	52	0.0	-79.75	367.73	9.97	-69.78
CC(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521746	0	57	0.0	-65.16	409.22	9.55	-55.61
CC(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521746	1	57	0.0	-65.04	416.00	9.52	-55.52
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521747	0	48	0.0	-68.15	354.35	8.66	-59.49
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521747	1	48	0.0	-68.14	361.11	8.62	-59.52
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521748	0	48	0.0	-72.44	346.49	8.28	-64.16
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521748	1	48	0.0	-72.79	354.62	8.55	-64.24
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@@H+]2CCCC(C)C2)C1	REAL300012521749	0	49	0.0	-75.71	360.95	8.25	-67.46
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@H+]2CCCC(C)C2)C1	REAL300012521749	1	49	0.0	-74.99	361.00	8.24	-66.75
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521750	0	58	0.0	-65.59	408.29	7.82	-57.77
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521750	1	58	0.0	-70.36	419.49	7.08	-63.28
CC(C)C[C@H](NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521751	0	53	0.0	-68.46	380.00	7.57	-60.89
CC(C)C[C@H](NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521751	1	53	0.0	-68.72	388.02	7.88	-60.84
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+]1CCCC(C)C1	REAL300012521752	0	55	0.0	-65.02	388.37	6.27	-58.75
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+]1CCCC(C)C1	REAL300012521752	1	55	0.0	-65.85	389.72	6.58	-59.27
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300012521753	0	51	0.0	-66.47	385.50	8.62	-57.85
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300012521753	1	51	0.0	-67.69	383.59	8.36	-59.33
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521754	0	51	0.0	-67.82	378.74	7.82	-60.00
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521754	1	51	0.0	-65.60	373.41	8.15	-57.45
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521755	0	50	0.0	-64.21	387.63	6.75	-57.46
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521755	1	50	0.0	-66.64	386.43	6.44	-60.20
CC(C)CCCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521756	0	59	0.0	-66.80	430.10	9.10	-57.70
CC(C)CCCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521756	1	59	0.0	-64.53	431.14	9.47	-55.06
CC(CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521757	0	57	0.0	-73.24	435.94	9.73	-63.51
CC(CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521757	1	57	0.0	-71.21	435.91	9.74	-61.47
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521758	0	55	0.0	-63.80	402.76	7.47	-56.33
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521758	1	55	0.0	-66.46	401.45	7.18	-59.28
CSCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521759	0	48	0.0	-64.68	370.82	6.70	-57.98
CSCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521759	1	48	0.0	-65.14	371.47	6.68	-58.46
COC[C@H](NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521760	0	48	0.0	-66.01	354.02	4.81	-61.20
COC[C@H](NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521760	1	48	0.0	-68.25	352.62	4.52	-63.73
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521761	0	54	0.0	-68.01	407.47	9.68	-58.33
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521761	1	54	0.0	-65.25	405.88	9.42	-55.83
CCC(C)CC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521762	0	56	0.0	-69.24	404.55	8.20	-61.04
CCC(C)CC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521762	1	56	0.0	-65.45	406.26	8.52	-56.93
C=CCCCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521763	0	54	0.0	-66.98	403.85	8.36	-58.62
C=CCCCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521763	1	54	0.0	-67.61	405.13	8.67	-58.94
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521764	0	54	0.0	-69.21	412.74	9.33	-59.88
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521764	1	54	0.0	-68.39	412.82	9.33	-59.06
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)[N@@H+]1CCCC(C)C1	REAL300012521765	0	57	0.0	-71.47	418.26	10.50	-60.97
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)[N@H+]1CCCC(C)C1	REAL300012521765	1	57	0.0	-70.83	425.24	10.46	-60.37
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521766	0	49	0.0	-75.42	352.75	9.73	-65.69
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521766	1	49	0.0	-75.36	351.36	9.36	-66.00
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300012521767	0	54	0.0	-67.66	386.60	9.48	-58.18
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300012521767	1	54	0.0	-69.37	386.53	9.44	-59.93
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521768	0	52	0.0	-81.65	369.78	10.03	-71.62
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521768	1	52	0.0	-80.93	368.37	9.68	-71.25
CCN(C(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(C)(C)C(=O)[O-]	REAL300012521769	0	53	0.0	-71.80	372.35	8.97	-62.83
CCN(C(=O)NCC(C)[N@H+]1CCCC(C)C1)C(C)(C)C(=O)[O-]	REAL300012521769	1	53	0.0	-72.39	373.31	9.36	-63.03
CCCN(C(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012521770	0	53	0.0	-63.76	377.50	8.87	-54.89
CCCN(C(=O)NCC(C)[N@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012521770	1	53	0.0	-47.41	379.52	9.64	-37.77
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+]1CCCC(C)C1	REAL300012521771	0	47	0.0	-62.70	361.11	8.84	-53.86
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+]1CCCC(C)C1	REAL300012521771	1	47	0.0	-63.77	361.96	8.89	-54.88
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+]1CCCC(C)C1	REAL300012521772	0	47	0.0	-62.70	361.11	8.84	-53.86
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+]1CCCC(C)C1	REAL300012521772	1	47	0.0	-63.77	361.96	8.89	-54.88
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521773	0	60	0.0	-52.69	434.32	6.53	-46.16
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521773	1	60	0.0	-51.12	435.68	6.86	-44.26
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521774	0	49	0.0	-75.16	353.39	4.78	-70.38
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521774	1	49	0.0	-77.06	351.80	4.44	-72.62
CC(CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521775	1	64	0.0	-52.36	459.51	6.40	-45.96
CC(CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521775	1	64	0.0	-50.78	460.87	6.73	-44.05
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)[N@@H+]1CCCC(C)C1	REAL300012521776	0	55	0.0	-75.63	392.06	12.18	-63.45
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)[N@H+]1CCCC(C)C1	REAL300012521776	1	55	0.0	-72.14	400.75	11.25	-60.89
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521777	0	58	0.0	-54.31	405.73	11.64	-42.67
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521777	1	58	0.0	-58.67	411.99	11.62	-47.05
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521778	0	56	0.0	-69.96	405.16	9.84	-60.12
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521778	1	56	0.0	-67.44	405.20	9.81	-57.63
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300012521779	0	51	0.0	-67.46	377.24	8.42	-59.04
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300012521779	1	51	0.0	-69.20	385.55	8.63	-60.57
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521780	0	56	0.0	-68.83	418.87	8.61	-60.22
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521780	1	56	0.0	-70.26	417.57	8.29	-61.97
C=CCCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521781	0	51	0.0	-67.76	382.11	7.64	-60.12
C=CCCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521781	1	51	0.0	-66.57	382.32	7.59	-58.98
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521782	0	50	0.0	-64.69	386.95	6.60	-58.09
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521782	1	50	0.0	-63.86	387.83	6.58	-57.28
CC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521783	0	51	0.0	-64.31	404.93	8.09	-56.22
CC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521783	1	51	0.0	-64.59	405.72	8.11	-56.48
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521784	0	51	0.0	-83.78	371.64	6.04	-77.74
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521784	1	51	0.0	-85.38	370.20	5.69	-79.69
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521785	0	52	0.0	-68.54	376.14	7.77	-60.77
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521785	1	52	0.0	-68.93	369.70	7.89	-61.04
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521786	0	51	0.0	-74.47	358.53	9.04	-65.43
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521786	1	51	0.0	-75.53	365.24	9.03	-66.50
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300012521787	0	51	0.0	-66.47	385.50	8.62	-57.85
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300012521787	1	51	0.0	-68.00	377.39	8.36	-59.64
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521788	0	54	0.0	-64.55	399.30	8.03	-56.52
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521788	1	54	0.0	-68.30	394.93	7.98	-60.32
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+]1CCCC(C)C1	REAL300012521789	0	54	0.0	-46.72	382.33	9.63	-37.09
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@H+]1CCCC(C)C1	REAL300012521789	1	54	0.0	-47.98	375.28	9.61	-38.37
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521790	0	53	0.0	-68.16	377.55	7.19	-60.97
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521790	1	53	0.0	-68.20	378.56	7.25	-60.95
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[N@@H+]1CCCC(C)C1	REAL300012521791	0	52	0.0	-78.55	380.84	4.46	-74.09
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[N@H+]1CCCC(C)C1	REAL300012521791	1	52	0.0	-77.63	372.38	4.14	-73.49
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@@H+]1CCCC(C)C1	REAL300012521792	0	60	0.0	-70.05	430.75	7.57	-62.48
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@H+]1CCCC(C)C1	REAL300012521792	1	60	0.0	-69.11	430.66	7.61	-61.50
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[N@@H+]1CCCC(C)C1	REAL300012521793	0	54	0.0	-70.04	378.64	8.32	-61.72
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[N@H+]1CCCC(C)C1	REAL300012521793	1	54	0.0	-72.17	385.56	8.25	-63.92
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@@H+]1CCCC(C)C1	REAL300012521794	0	57	0.0	-70.71	393.47	8.74	-61.97
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@H+]1CCCC(C)C1	REAL300012521794	1	57	0.0	-68.88	393.58	8.71	-60.17
COCCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521795	0	51	0.0	-68.63	381.47	5.38	-63.25
COCCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521795	1	51	0.0	-68.74	383.00	5.63	-63.11
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521796	0	57	0.0	-68.90	415.49	11.30	-57.60
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521796	1	57	0.0	-70.12	417.01	11.24	-58.88
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@@H+]1CCCC(C)C1	REAL300012521797	0	54	0.0	-71.97	386.86	8.98	-62.99
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@H+]1CCCC(C)C1	REAL300012521797	1	54	0.0	-70.54	380.16	9.01	-61.53
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)[N@@H+]1CCCC(C)C1	REAL300012521798	0	61	0.0	-69.94	434.32	11.02	-58.92
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)[N@H+]1CCCC(C)C1	REAL300012521798	1	61	0.0	-74.21	427.87	11.06	-63.15
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[N@@H+]1CCCC(C)C1	REAL300012521799	0	51	0.0	-70.67	371.36	7.59	-63.08
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[N@H+]1CCCC(C)C1	REAL300012521799	1	51	0.0	-68.07	364.89	7.62	-60.45
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@@H+]1CCCC(C)C1	REAL300012521800	0	60	0.0	-68.25	431.91	7.55	-60.70
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@H+]1CCCC(C)C1	REAL300012521800	1	60	0.0	-70.67	432.97	7.85	-62.82
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521801	0	49	0.0	-80.11	350.42	4.63	-75.48
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521801	1	49	0.0	-80.40	350.47	4.64	-75.76
CC(CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521802	0	59	0.0	-54.06	426.03	11.83	-42.23
CC(CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521802	1	59	0.0	-56.04	427.82	12.11	-43.93
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)[N@@H+]1CCCC(C)C1	REAL300012521803	0	52	0.0	-69.83	375.08	5.24	-64.59
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)[N@H+]1CCCC(C)C1	REAL300012521803	1	52	0.0	-70.69	368.14	5.28	-65.41
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521804	0	52	0.0	-76.03	363.38	9.61	-66.42
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521804	1	52	0.0	-79.26	368.78	9.31	-69.95
CC(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)[N@@H+]1CCCC(C)C1	REAL300012521805	0	55	0.0	-75.49	408.97	8.42	-67.07
CC(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)[N@H+]1CCCC(C)C1	REAL300012521805	1	55	0.0	-76.43	416.32	8.40	-68.03
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[N@@H+]1CCCC(C)C1	REAL300012521806	0	50	0.0	-75.61	363.90	7.12	-68.49
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[N@H+]1CCCC(C)C1	REAL300012521806	1	50	0.0	-75.84	353.75	7.05	-68.79
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521807	0	54	0.0	-77.37	374.93	10.35	-67.02
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521807	1	54	0.0	-78.40	375.41	10.43	-67.97
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300012521808	0	57	0.0	-66.84	413.75	9.63	-57.21
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300012521808	1	57	0.0	-67.55	423.11	9.92	-57.63
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521809	0	58	0.0	-66.64	421.74	9.75	-56.89
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521809	1	58	0.0	-68.76	415.28	9.71	-59.05
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@@H+]1CCCC(C)C1	REAL300012521810	0	51	0.0	-69.18	369.50	7.44	-61.74
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@H+]1CCCC(C)C1	REAL300012521810	1	51	0.0	-67.37	365.31	7.28	-60.09
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[N@@H+]1CCCC(C)C1	REAL300012521811	0	64	0.0	-68.65	436.00	9.35	-59.30
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[N@H+]1CCCC(C)C1	REAL300012521811	1	64	0.0	-72.16	440.49	9.06	-63.10
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@@H+]1CCCC(C)C1	REAL300012521812	0	57	0.0	-69.85	401.25	9.04	-60.81
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@H+]1CCCC(C)C1	REAL300012521812	1	57	0.0	-67.04	399.96	8.72	-58.32
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@@H+]1CCCC(C)C1	REAL300012521813	0	51	0.0	-69.18	369.50	7.44	-61.74
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@H+]1CCCC(C)C1	REAL300012521813	1	51	0.0	-67.37	365.31	7.28	-60.09
CC(CNC(=O)N1CCC(C)C1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521814	0	51	0.0	-76.30	368.64	9.06	-67.24
CC(CNC(=O)N1CCC(C)C1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521814	1	51	0.0	-77.85	370.81	8.63	-69.22
CC(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521815	0	58	0.0	-68.35	416.02	7.77	-60.58
CC(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521815	1	58	0.0	-71.37	421.41	7.45	-63.92
CC(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[N@@H+]1CCCC(C)C1	REAL300012521816	0	58	0.0	-43.11	387.79	10.39	-32.72
CC(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[N@H+]1CCCC(C)C1	REAL300012521816	1	58	0.0	-43.05	393.35	10.00	-33.05
CC(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)[N@@H+]1CCCC(C)C1	REAL300012521817	0	58	0.0	-70.48	392.61	7.67	-62.81
CC(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)[N@H+]1CCCC(C)C1	REAL300012521817	1	58	0.0	-73.70	397.68	7.24	-66.46
CC1=CC=CC2=C1CCN(C(=O)NCC(C)[N@@H+]1CCCC(C)C1)C2C(=O)[O-]	REAL300012521818	0	58	0.0	-83.74	413.30	12.11	-71.63
CC1=CC=CC2=C1CCN(C(=O)NCC(C)[N@H+]1CCCC(C)C1)C2C(=O)[O-]	REAL300012521818	1	58	0.0	-84.34	404.96	11.77	-72.57
CC(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521819	0	52	0.0	-47.32	364.61	9.48	-37.84
CC(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521819	1	52	0.0	-46.69	365.24	9.54	-37.15
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521820	0	58	0.0	-66.64	421.74	9.75	-56.89
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521820	1	58	0.0	-68.76	415.28	9.71	-59.05
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521821	0	54	0.0	-70.34	407.43	9.67	-60.67
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521821	1	54	0.0	-72.36	407.46	9.66	-62.70
COC1CC(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012521822	0	52	0.0	-75.72	383.75	6.24	-69.48
COC1CC(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012521822	1	52	0.0	-66.91	375.35	6.17	-60.74
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[N@@H+]1CCCC(C)C1	REAL300012521823	0	48	0.0	-70.61	357.81	7.01	-63.60
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[N@H+]1CCCC(C)C1	REAL300012521823	1	48	0.0	-69.10	351.08	7.03	-62.07
CO[C@H]1C[C@](NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012521824	0	52	0.0	-67.34	373.85	5.87	-61.47
CO[C@H]1C[C@](NC(=O)NCC(C)[N@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012521824	1	52	0.0	-65.70	381.92	6.15	-59.55
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[N@@H+]1CCCC(C)C1	REAL300012521825	0	51	0.0	-72.60	389.57	7.77	-64.83
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[N@H+]1CCCC(C)C1	REAL300012521825	1	51	0.0	-69.45	378.33	8.05	-61.40
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[N@@H+]1CCCC(C)C1	REAL300012521826	0	54	0.0	-76.44	377.55	9.65	-66.79
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[N@H+]1CCCC(C)C1	REAL300012521826	1	54	0.0	-75.98	373.23	10.09	-65.89
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521827	0	47	0.0	-62.69	363.98	6.96	-55.73
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521827	1	47	0.0	-59.33	365.01	7.34	-51.99
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521828	0	55	0.0	-69.07	404.20	6.64	-62.43
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521828	1	55	0.0	-65.23	391.43	7.10	-58.13
CC(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521829	0	51	0.0	-69.08	390.77	8.35	-60.73
CC(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521829	1	51	0.0	-67.41	398.37	8.33	-59.08
COCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012521830	0	58	0.0	-68.33	424.97	8.30	-60.03
COCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012521830	1	58	0.0	-67.67	426.35	8.62	-59.05
CC(C)C(C)(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521831	0	53	0.0	-65.01	368.43	7.56	-57.45
CC(C)C(C)(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521831	1	53	0.0	-64.86	368.38	7.57	-57.29
CC(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521832	0	49	0.0	-78.07	346.79	9.37	-68.70
CC(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521832	1	49	0.0	-75.82	348.15	9.67	-66.15
CC(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521833	0	52	0.0	-76.13	363.35	8.94	-67.19
CC(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521833	1	52	0.0	-77.87	370.07	8.77	-69.10
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521834	0	57	0.0	-47.56	409.33	12.02	-35.54
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521834	1	57	0.0	-55.06	408.97	10.77	-44.29
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521835	0	60	0.0	-67.61	428.36	9.46	-58.15
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521835	1	60	0.0	-65.71	421.35	9.56	-56.15
CC(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521836	0	57	0.0	-66.80	424.04	10.38	-56.42
CC(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521836	1	57	0.0	-69.37	429.45	10.04	-59.33
CC(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521837	0	57	0.0	-68.27	429.37	10.05	-58.22
CC(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521837	1	57	0.0	-66.51	422.45	10.12	-56.39
CC(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)[N@@H+]1CCCC(C)C1	REAL300012521838	0	58	0.0	-69.01	407.61	8.97	-60.04
CC(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)[N@H+]1CCCC(C)C1	REAL300012521838	1	58	0.0	-70.17	399.89	8.96	-61.21
CC(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521839	0	60	0.0	-68.98	422.89	9.82	-59.16
CC(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521839	1	60	0.0	-69.37	429.45	9.82	-59.55
CC(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521840	0	60	0.0	-69.25	428.13	9.52	-59.73
CC(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521840	1	60	0.0	-67.46	429.70	9.76	-57.70
CC(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521841	0	58	0.0	-49.47	405.27	10.30	-39.17
CC(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521841	1	58	0.0	-50.02	405.07	10.31	-39.71
CC(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521842	0	58	0.0	-75.21	401.13	10.40	-64.81
CC(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521842	1	58	0.0	-73.98	398.95	10.24	-63.74
COC1=CC=C(CC(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012521843	0	58	0.0	-68.97	430.27	8.96	-60.01
COC1=CC=C(CC(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012521843	1	58	0.0	-68.04	437.23	8.88	-59.16
C=CCSCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521844	0	52	0.0	-64.16	406.01	8.06	-56.10
C=CCSCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521844	1	52	0.0	-62.65	407.30	8.36	-54.29
CC(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521845	0	55	0.0	-67.92	421.84	10.00	-57.92
CC(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521845	1	55	0.0	-67.43	427.75	9.97	-57.46
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)[N@@H+]1CCCC(C)C1	REAL300012521846	0	53	0.0	-65.11	369.38	9.00	-56.11
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)[N@H+]1CCCC(C)C1	REAL300012521846	1	53	0.0	-66.54	373.57	9.26	-57.28
COC1(C(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012521847	0	55	0.0	-70.72	397.76	6.05	-64.67
COC1(C(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012521847	1	55	0.0	-63.31	388.36	5.94	-57.37
CC(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)[N@@H+]1CCCC(C)C1	REAL300012521848	0	57	0.0	-69.53	396.03	8.58	-60.95
CC(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)[N@H+]1CCCC(C)C1	REAL300012521848	1	57	0.0	-65.86	404.41	8.87	-56.99
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)[N@@H+]1CCCC(C)C1	REAL300012521849	0	58	0.0	-72.02	410.04	10.72	-61.30
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)[N@H+]1CCCC(C)C1	REAL300012521849	1	58	0.0	-71.39	408.70	10.43	-60.96
CC(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)[N@@H+]1CCCC(C)C1	REAL300012521850	0	51	0.0	-76.18	382.13	8.13	-68.05
CC(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)[N@H+]1CCCC(C)C1	REAL300012521850	1	51	0.0	-74.68	374.06	7.75	-66.93
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[N@@H+]1CCCC(C)C1	REAL300012521852	0	63	0.0	-68.28	455.07	10.97	-57.31
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[N@H+]1CCCC(C)C1	REAL300012521852	1	63	0.0	-65.85	460.14	10.73	-55.12
CC(C)C1=CC=C(C(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012521853	0	60	0.0	-67.02	437.42	10.35	-56.67
CC(C)C1=CC=C(C(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012521853	1	60	0.0	-65.81	444.19	10.35	-55.46
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521854	0	48	0.0	-72.44	346.49	8.28	-64.16
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521854	1	48	0.0	-72.79	354.62	8.55	-64.24
CC(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521855	0	50	0.0	-42.22	364.26	9.32	-32.90
CC(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521855	1	50	0.0	-45.32	354.65	9.00	-36.32
CC(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521856	0	54	0.0	-76.40	382.34	9.24	-67.16
CC(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521856	1	54	0.0	-74.55	385.65	9.01	-65.54
CCOC1=CC=C(C(NC(=O)NCC(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012521857	0	58	0.0	-67.04	428.81	8.55	-58.49
CCOC1=CC=C(C(NC(=O)NCC(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012521857	1	58	0.0	-67.72	436.28	8.89	-58.83
CC(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521858	0	58	0.0	-76.47	404.50	11.24	-65.23
CC(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521858	1	58	0.0	-49.96	407.23	9.62	-40.34
CC(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)[N@@H+]1CCCC(C)C1	REAL300012521859	0	58	0.0	-68.04	418.93	10.80	-57.24
CC(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)[N@H+]1CCCC(C)C1	REAL300012521859	1	58	0.0	-67.21	419.41	10.22	-56.99
CC(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521860	0	58	0.0	-71.09	427.96	9.68	-61.41
CC(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521860	1	58	0.0	-70.97	427.91	9.68	-61.29
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521861	0	54	0.0	-70.28	415.03	9.58	-60.70
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521861	1	54	0.0	-72.79	413.67	9.28	-63.51
CC(C)CCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521862	0	56	0.0	-68.17	407.78	8.33	-59.84
CC(C)CCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521862	1	56	0.0	-68.46	409.89	8.63	-59.83
CC(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521863	0	55	0.0	-41.94	394.07	10.02	-31.92
CC(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521863	1	55	0.0	-46.33	395.57	9.99	-36.34
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521864	0	55	0.0	-69.07	404.20	6.64	-62.43
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521864	1	55	0.0	-65.23	391.43	7.10	-58.13
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@@H+]2CCCC(C)C2)C1	REAL300012521865	0	52	0.0	-72.96	383.08	9.37	-63.59
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@H+]2CCCC(C)C2)C1	REAL300012521865	1	52	0.0	-72.87	391.23	9.63	-63.24
CC(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)[N@@H+]1CCCC(C)C1	REAL300012521866	0	55	0.0	-71.46	378.02	9.44	-62.02
CC(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)[N@H+]1CCCC(C)C1	REAL300012521866	1	55	0.0	-68.32	379.30	8.85	-59.47
CC(CNC(=O)NC1(C(=O)[O-])CCC2CC21)[N@@H+]1CCCC(C)C1	REAL300012521867	0	52	0.0	-70.25	372.08	7.99	-62.26
CC(CNC(=O)NC1(C(=O)[O-])CCC2CC21)[N@H+]1CCCC(C)C1	REAL300012521867	1	52	0.0	-73.96	363.33	8.24	-65.72
CC(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)[N@@H+]1CCCC(C)C1	REAL300012521868	0	55	0.0	-70.49	391.53	8.59	-61.90
CC(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)[N@H+]1CCCC(C)C1	REAL300012521868	1	55	0.0	-68.89	384.99	8.60	-60.29
CC(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521869	0	57	0.0	-65.98	414.96	11.20	-54.78
CC(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521869	1	57	0.0	-69.64	416.96	11.34	-58.30
CC(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)[N@@H+]1CCCC(C)C1	REAL300012521870	0	61	0.0	-46.20	425.38	10.94	-35.26
CC(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)[N@H+]1CCCC(C)C1	REAL300012521870	1	61	0.0	-45.83	416.88	10.62	-35.21
CC(CNC(=O)NC(C(=O)[O-])C1CCCC1)[N@@H+]1CCCC(C)C1	REAL300012521871	0	54	0.0	-66.75	378.83	8.16	-58.59
CC(CNC(=O)NC(C(=O)[O-])C1CCCC1)[N@H+]1CCCC(C)C1	REAL300012521871	1	54	0.0	-68.81	378.79	8.16	-60.65
CO[C@H](C)[C@H](NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521872	0	51	0.0	-68.97	377.48	5.49	-63.48
CO[C@H](C)[C@H](NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521872	1	51	0.0	-68.67	371.29	5.51	-63.16
CC(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[N@@H+]1CCCC(C)C1	REAL300012521873	0	51	0.0	-74.54	372.33	8.30	-66.24
CC(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[N@H+]1CCCC(C)C1	REAL300012521873	1	51	0.0	-68.65	363.55	7.83	-60.82
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300012521874	0	54	0.0	-51.30	404.89	11.08	-40.22
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300012521874	1	54	0.0	-49.80	392.15	10.80	-39.00
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521875	0	54	0.0	-50.42	383.17	9.12	-41.30
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521875	1	54	0.0	-50.00	382.18	9.19	-40.81
CC(CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521876	0	55	0.0	-52.10	412.38	11.09	-41.01
CC(CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521876	1	55	0.0	-51.36	404.03	10.71	-40.65
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521877	0	51	0.0	-77.61	369.40	9.47	-68.14
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521877	1	51	0.0	-76.17	370.29	9.64	-66.53
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521878	0	48	0.0	-76.91	351.43	8.28	-68.63
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521878	1	48	0.0	-73.37	359.23	8.48	-64.89
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521879	0	54	0.0	-70.34	407.43	9.67	-60.67
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521879	1	54	0.0	-72.36	407.46	9.66	-62.70
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521880	0	51	0.0	-66.22	391.68	8.59	-57.63
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521880	1	51	0.0	-65.77	397.24	8.21	-57.56
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521881	0	51	0.0	-71.15	370.95	9.27	-61.88
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521881	1	51	0.0	-65.46	369.17	8.87	-56.59
CC(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[N@@H+]1CCCC(C)C1	REAL300012521882	0	55	0.0	-72.43	410.89	9.03	-63.40
CC(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[N@H+]1CCCC(C)C1	REAL300012521882	1	55	0.0	-70.25	412.26	9.33	-60.92
CC(CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521883	0	59	0.0	-74.92	435.25	10.88	-64.04
CC(CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521883	1	59	0.0	-71.10	436.79	10.93	-60.17
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521884	0	51	0.0	-66.22	391.68	8.59	-57.63
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521884	1	51	0.0	-65.77	397.24	8.21	-57.56
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521885	0	55	0.0	-76.87	379.28	9.33	-67.54
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521885	1	55	0.0	-78.12	385.45	9.49	-68.63
COCCCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521886	0	54	0.0	-66.30	403.21	6.09	-60.21
COCCCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521886	1	54	0.0	-67.23	404.49	6.40	-60.83
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1CCCC(C)C1	REAL300012521887	0	53	0.0	-63.32	372.88	9.16	-54.16
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1CCCC(C)C1	REAL300012521887	1	53	0.0	-63.30	374.26	9.18	-54.12
CCOCC(NC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521888	0	51	0.0	-67.88	381.61	5.52	-62.36
CCOCC(NC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012521888	1	51	0.0	-66.19	382.90	5.83	-60.36
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521889	0	56	0.0	-68.59	392.44	8.99	-59.60
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521889	1	56	0.0	-66.47	392.34	9.03	-57.44
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[N@@H+]1CCCC(C)C1	REAL300012521890	0	55	0.0	-69.67	391.79	6.41	-63.26
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[N@H+]1CCCC(C)C1	REAL300012521890	1	55	0.0	-67.23	389.99	6.45	-60.78
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@@H+]1CCCC(C)C1	REAL300012521891	0	55	0.0	-71.33	403.25	9.62	-61.71
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@H+]1CCCC(C)C1	REAL300012521891	1	55	0.0	-72.03	405.05	9.90	-62.13
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521892	0	52	0.0	-76.37	362.64	7.71	-68.66
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521892	1	52	0.0	-75.33	364.36	8.05	-67.28
CC(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521893	0	54	0.0	-68.88	390.17	9.45	-59.43
CC(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521893	1	54	0.0	-51.33	381.79	9.07	-42.26
CC(CNC(=O)NC(CCC#N)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521894	0	48	0.0	-71.01	368.89	6.76	-64.25
CC(CNC(=O)NC(CCC#N)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521894	1	48	0.0	-70.70	370.17	7.06	-63.64
CC(CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[N@@H+]1CCCC(C)C1	REAL300012521895	0	65	0.0	-67.95	440.30	10.65	-57.30
CC(CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[N@H+]1CCCC(C)C1	REAL300012521895	1	65	0.0	-72.07	433.55	10.36	-61.71
CC(CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521896	0	57	0.0	-68.46	433.75	9.88	-58.58
CC(CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521896	1	57	0.0	-70.54	429.59	9.55	-60.99
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[N@@H+]1CCCC(C)C1	REAL300012521897	0	51	0.0	-50.33	381.24	9.53	-40.80
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[N@H+]1CCCC(C)C1	REAL300012521897	1	51	0.0	-52.05	379.84	9.25	-42.80
CC(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521898	0	62	0.0	-65.50	425.69	9.09	-56.41
CC(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521898	1	62	0.0	-62.63	422.04	8.88	-53.75
CC(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300012521899	0	53	0.0	-64.93	411.47	7.91	-57.02
CC(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300012521899	1	53	0.0	-70.47	419.57	8.23	-62.24
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@@H+]2CCCC(C)C2)C1	REAL300012521900	0	55	0.0	-71.27	394.33	8.25	-63.02
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@H+]2CCCC(C)C2)C1	REAL300012521900	1	55	0.0	-70.88	394.05	8.19	-62.69
C=CCOCC(NC(=O)NCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012521901	1	44	0.0	-70.93	369.57	5.26	-65.67
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012521902	1	47	0.0	-71.01	373.46	5.53	-65.48
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012521903	1	43	0.0	-64.85	372.32	7.67	-57.18
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012521904	1	43	0.0	-64.79	382.21	8.12	-56.67
COC1CCN(C(=O)NCCCN2C=C[NH+]=C2C)C(C(=O)[O-])C1	REAL300012521905	1	47	0.0	-79.38	363.62	7.51	-71.87
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012521906	1	47	0.0	-67.29	367.33	5.38	-61.91
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012521907	1	46	0.0	-78.33	347.34	8.76	-69.57
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012521908	1	46	0.0	-67.69	386.08	8.34	-59.35
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012521909	1	48	0.0	-70.20	395.51	7.40	-62.80
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012521910	1	49	0.0	-71.96	402.16	8.96	-63.00
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012521911	1	49	0.0	-71.58	398.04	8.76	-62.82
COC1=CC=C(C(NC(=O)NCCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1Cl	REAL300012521912	1	47	0.0	-70.85	405.12	7.40	-63.45
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=C(C)C(C)=CC=C1	REAL300012521913	1	49	0.0	-70.97	392.47	8.68	-62.29
COC1=CC=C(C(NC(=O)NCCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1F	REAL300012521914	1	47	0.0	-71.25	395.07	6.99	-64.26
CC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012521915	1	49	0.0	-53.50	419.10	11.28	-42.22
CC1=[NH+]C=CN1CCCNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012521916	1	46	0.0	-56.80	355.63	8.40	-48.40
CCCN(C(=O)NCCCN1C=C[NH+]=C1C)C(COC)C(=O)[O-]	REAL300012521917	1	49	0.0	-72.41	384.84	9.04	-63.37
CCCN(C(=O)NCCCN1C=C[NH+]=C1C)C(CC)C(=O)[O-]	REAL300012521918	1	48	0.0	-70.78	370.95	9.67	-61.11
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012521919	1	43	0.0	-66.62	376.07	8.16	-58.46
CC1=[NH+]C=CN1CCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012521920	1	41	0.0	-75.84	333.10	8.41	-67.43
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012521921	1	46	0.0	-72.71	352.96	7.70	-65.01
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012521922	1	49	0.0	-73.19	358.62	8.37	-64.82
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012521923	1	46	0.0	-70.18	381.64	8.56	-61.62
CC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012521924	1	46	0.0	-57.44	380.37	10.30	-47.14
CC1=[NH+]C=CN1CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012521925	1	43	0.0	-70.69	359.59	7.55	-63.14
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012521926	1	43	0.0	-70.29	359.35	7.64	-62.65
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012521927	1	46	0.0	-70.18	381.64	8.56	-61.62
CC1=[NH+]C=CN1CCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012521928	1	47	0.0	-78.81	371.14	10.54	-68.27
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012521929	1	40	0.0	-69.54	351.20	6.65	-62.89
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012521930	1	46	0.0	-72.71	352.96	7.70	-65.01
CC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012521931	1	46	0.0	-53.70	397.02	10.83	-42.87
CC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012521932	1	50	0.0	-72.19	410.08	8.60	-63.59
COC1=CC(CN(CC(=O)[O-])C(=O)NCCCN2C=C[NH+]=C2C)=CC(OC)=C1	REAL300012521933	1	54	0.0	-60.73	433.31	8.62	-52.11
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012521934	1	43	0.0	-66.51	380.63	8.25	-58.26
CC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012521935	1	46	0.0	-53.94	386.70	10.38	-43.56
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012521936	1	47	0.0	-72.03	377.56	8.74	-63.29
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012521937	1	43	0.0	-70.95	370.18	7.78	-63.17
CC1=[NH+]C=CN1CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012521938	1	46	0.0	-71.80	367.40	8.33	-63.47
CCCCCCC(C)(NC(=O)NCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012521939	1	54	0.0	-70.09	413.58	8.94	-61.15
CC1=[NH+]C=CN1CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012521940	1	49	0.0	-67.88	390.44	10.42	-57.46
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012521941	1	43	0.0	-66.62	376.07	8.16	-58.46
CC1=[NH+]C=CN1CCCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012521942	1	49	0.0	-75.33	362.22	9.00	-66.33
CC1=[NH+]C=CN1CCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012521943	1	49	0.0	-58.28	402.78	11.07	-47.21
CC1=[NH+]C=CN1CCCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012521944	1	46	0.0	-68.20	367.25	9.20	-59.00
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012521945	1	47	0.0	-76.33	374.63	8.68	-67.65
CC1=[NH+]C=CN1CCCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012521946	1	50	0.0	-77.22	415.77	8.45	-68.77
CC1=[NH+]C=CN1CCCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012521947	1	46	0.0	-78.55	346.36	9.05	-69.50
CC1=[NH+]C=CN1CCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012521948	1	49	0.0	-58.28	402.78	11.07	-47.21
CC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012521949	1	46	0.0	-54.99	357.72	8.86	-46.13
CCCCCC(NC(=O)NCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012521950	1	48	0.0	-69.14	387.11	7.82	-61.32
CCC1CCC(NC(=O)NCCCN2C=C[NH+]=C2C)(C(=O)[O-])CC1	REAL300012521951	1	52	0.0	-72.56	392.03	8.95	-63.61
CC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012521952	1	47	0.0	-55.49	366.23	7.20	-48.29
CC1=[NH+]C=CN1CCCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012521953	1	46	0.0	-76.29	348.89	8.30	-67.99
CCC(C(=O)[O-])N(C(=O)NCCCN1C=C[NH+]=C1C)C1CC1	REAL300012521954	1	46	0.0	-55.68	360.45	8.98	-46.70
CC1=[NH+]C=CN1CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012521955	1	46	0.0	-65.88	399.32	9.31	-56.57
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012521956	1	43	0.0	-73.08	371.56	7.99	-65.09
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012521957	1	43	0.0	-76.96	364.01	7.65	-69.31
CC1=[NH+]C=CN1CCCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012521958	1	47	0.0	-58.54	374.52	9.98	-48.56
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012521959	1	46	0.0	-66.83	392.13	8.54	-58.29
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012521960	1	52	0.0	-75.13	425.47	10.49	-64.64
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012521961	1	52	0.0	-69.67	403.77	8.67	-61.00
CC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012521962	1	49	0.0	-55.89	392.22	11.19	-44.70
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012521963	1	46	0.0	-71.12	380.77	8.31	-62.81
CC1=[NH+]C=CN1CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012521964	1	39	0.0	-63.66	338.54	6.21	-57.45
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012521965	1	49	0.0	-72.02	405.36	9.88	-62.14
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012521966	1	44	0.0	-68.82	350.65	7.39	-61.43
CCOCC(C(=O)[O-])N(C)C(=O)NCCCN1C=C[NH+]=C1C	REAL300012521967	1	46	0.0	-67.33	365.19	6.96	-60.37
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCN1C=C[NH+]=C1C	REAL300012521968	1	52	0.0	-53.06	400.44	10.74	-42.32
CC1=[NH+]C=CN1CCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012521969	1	42	0.0	-57.02	361.00	8.43	-48.59
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012521970	1	49	0.0	-70.35	376.52	7.77	-62.58
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012521971	1	46	0.0	-66.44	415.34	9.53	-56.91
CC1=[NH+]C=CN1CCCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012521972	1	50	0.0	-67.45	392.75	8.25	-59.20
CC1=[NH+]C=CN1CCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012521973	1	50	0.0	-78.69	397.70	11.60	-67.09
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012521974	1	44	0.0	-71.80	344.38	5.20	-66.60
CC1=[NH+]C=CN1CCCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012521975	1	49	0.0	-49.28	390.49	11.29	-37.99
COC1=CC=C(C(NC(=O)NCCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300012521976	1	47	0.0	-69.98	388.87	6.94	-63.04
CCC(COC)(NC(=O)NCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012521977	1	46	0.0	-75.35	362.50	6.04	-69.31
CC1=[NH+]C=CN1CCCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012521978	1	49	0.0	-67.74	386.36	7.71	-60.03
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012521979	1	46	0.0	-73.74	369.50	3.69	-70.05
CC1=[NH+]C=CN1CCCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012521980	1	48	0.0	-67.13	371.72	8.82	-58.31
CC1=[NH+]C=CN1CCCNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012521981	1	39	0.0	-68.67	334.96	5.78	-62.89
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCN1C=C[NH+]=C1C	REAL300012521982	1	49	0.0	-77.50	374.04	9.93	-67.57
CC1=[NH+]C=CN1CCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012521983	1	49	0.0	-50.50	391.07	11.41	-39.09
CCC(NC(=O)NCCCN1C=C[NH+]=C1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012521984	1	49	0.0	-68.60	401.11	9.75	-58.85
CCC(NC(=O)NCCCN1C=C[NH+]=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012521985	1	49	0.0	-72.71	384.27	9.21	-63.50
COC1CCCC(C(NC(=O)NCCCN2C=C[NH+]=C2C)C(=O)[O-])C1	REAL300012521986	1	53	0.0	-74.06	408.96	6.77	-67.29
COC1(CC(NC(=O)NCCCN2C=C[NH+]=C2C)C(=O)[O-])CCC1	REAL300012521987	1	50	0.0	-71.93	393.84	6.85	-65.08
CC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012521988	1	47	0.0	-55.49	366.23	7.20	-48.29
CC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012521989	1	49	0.0	-55.40	375.09	9.56	-45.84
CC1=[NH+]C=CN1CCCNC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1	REAL300012521990	1	49	0.0	-72.89	366.79	8.07	-64.82
COC1=CC=CC(C(NC(=O)NCCCN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300012521991	1	47	0.0	-73.36	388.85	6.93	-66.43
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012521992	1	43	0.0	-72.18	374.74	8.04	-64.14
CC1=[NH+]C=CN1CCCNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012521993	1	42	0.0	-66.58	334.17	6.00	-60.58
CC1=[NH+]C=CN1CCCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012521994	1	44	0.0	-61.34	356.36	8.04	-53.30
CC1=[NH+]C=CN1CCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012521995	1	40	0.0	-69.53	337.32	7.14	-62.39
COC1=CC=CC([C@H](NC(=O)NCCCN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300012521996	1	47	0.0	-73.70	389.10	6.84	-66.86
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCN2C=C[NH+]=C2C)C1	REAL300012521997	1	49	0.0	-77.46	388.23	9.26	-68.20
COC1=CC=CC(CC(NC(=O)NCCCN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300012521998	1	50	0.0	-73.39	411.08	7.85	-65.54
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012521999	1	52	0.0	-73.87	380.87	8.57	-65.30
CC1=[NH+]C=CN1CCCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012522000	1	49	0.0	-69.17	401.74	9.20	-59.97
CC1=[NH+]C=CN1CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012522001	1	48	0.0	-67.57	395.62	9.00	-58.57
COC1CN(C(=O)NCCCN2C=C[NH+]=C2C)C(C)(C(=O)[O-])C1	REAL300012522002	1	47	0.0	-71.87	372.11	6.98	-64.89
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012522003	1	50	0.0	-69.01	394.84	6.32	-62.69
C=C(Cl)CC(NC(=O)NCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012522004	1	40	0.0	-70.34	352.71	6.54	-63.80
CC1=[NH+]C=CN1CCCNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012522005	1	44	0.0	-83.21	344.28	8.83	-74.38
CC1=[NH+]C=CN1CCCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012522006	1	49	0.0	-69.81	391.42	8.75	-61.06
CC1=[NH+]C=CN1CCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012522007	1	40	0.0	-69.57	335.99	7.25	-62.32
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012522008	1	50	0.0	-71.39	394.90	6.30	-65.09
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012522009	1	47	0.0	-71.01	373.46	5.53	-65.48
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012522010	1	43	0.0	-70.29	359.35	7.64	-62.65
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012522011	1	46	0.0	-69.50	398.32	8.54	-60.96
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012522012	1	42	0.0	-68.04	367.59	5.68	-62.36
CC1=[NH+]C=CN1CCCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012522013	1	51	0.0	-69.14	404.67	8.34	-60.80
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012522014	1	49	0.0	-73.68	411.10	9.02	-64.66
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012522015	1	47	0.0	-72.99	379.39	5.93	-67.06
CSCC(NC(=O)NCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012522016	1	40	0.0	-67.43	346.92	5.91	-61.52
CC1=[NH+]C=CN1CCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012522017	1	46	0.0	-68.47	388.23	8.56	-59.91
CCC(C)CC(NC(=O)NCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012522018	1	48	0.0	-70.22	380.37	7.45	-62.77
C=CCCCC(NC(=O)NCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012522019	1	46	0.0	-68.74	378.42	7.60	-61.14
CC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012522020	1	46	0.0	-68.68	387.38	8.58	-60.10
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012522021	1	49	0.0	-74.64	400.48	9.72	-64.92
CC1=[NH+]C=CN1CCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012522022	1	41	0.0	-75.84	333.10	8.41	-67.43
CC1=[NH+]C=CN1CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012522023	1	46	0.0	-71.80	367.40	8.33	-63.47
CC1=[NH+]C=CN1CCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012522024	1	44	0.0	-81.31	343.51	8.94	-72.37
CC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012522025	1	39	0.0	-64.38	335.99	7.81	-56.57
CC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012522026	1	39	0.0	-64.38	335.99	7.81	-56.57
CC1=[NH+]C=CN1CCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012522027	1	52	0.0	-57.89	409.71	5.77	-52.12
CC1=NC=CN1CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012522028	0	56	0.0	-63.02	429.19	7.31	-55.71
CC1=[NH+]C=CN1CCCNC(=O)N1C2=C(CC1C(=O)[O-])C(C)=CC=C2	REAL300012522029	1	47	0.0	-55.39	378.00	10.33	-45.06
CC1=[NH+]C=CN1CCCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012522030	1	50	0.0	-61.83	386.16	10.53	-51.30
CC1=[NH+]C=CN1CCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012522031	1	48	0.0	-69.60	379.29	8.69	-60.91
CC1=[NH+]C=CN1CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012522032	1	43	0.0	-70.69	359.59	7.55	-63.14
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012522033	1	46	0.0	-66.76	398.11	8.64	-58.12
CC1=[NH+]C=CN1CCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012522034	1	48	0.0	-70.35	399.49	7.57	-62.78
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012522035	1	42	0.0	-71.94	368.40	5.49	-66.45
CC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012522036	1	43	0.0	-65.72	387.09	7.32	-58.40
CC1=[NH+]C=CN1CCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012522037	1	43	0.0	-84.86	352.70	4.95	-79.91
CC1=[NH+]C=CN1CCCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012522038	1	44	0.0	-70.39	350.46	6.64	-63.75
CC1=[NH+]C=CN1CCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012522039	1	43	0.0	-70.81	358.97	7.58	-63.23
CC1=[NH+]C=CN1CCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012522040	1	46	0.0	-72.24	369.06	6.89	-65.35
CC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012522041	1	46	0.0	-54.99	357.72	8.86	-46.13
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012522042	1	44	0.0	-79.29	355.11	3.38	-75.91
CC1=[NH+]C=CN1CCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012522043	1	52	0.0	-72.65	406.89	6.74	-65.91
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012522044	1	46	0.0	-72.85	359.52	7.22	-65.63
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012522045	1	49	0.0	-73.64	367.38	7.84	-65.80
CC1=[NH+]C=CN1CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012522046	1	49	0.0	-67.88	390.44	10.42	-57.46
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012522047	1	46	0.0	-75.23	360.77	7.89	-67.34
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012522048	1	53	0.0	-75.37	408.50	9.92	-65.45
CC1=[NH+]C=CN1CCCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012522049	1	52	0.0	-70.47	407.29	6.77	-63.70
CC1=[NH+]C=CN1CCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012522050	1	51	0.0	-60.94	401.79	11.12	-49.82
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012522051	1	44	0.0	-67.52	356.16	4.63	-62.89
CC1=[NH+]C=CN1CCCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012522052	1	44	0.0	-79.92	344.22	8.54	-71.38
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012522053	1	47	0.0	-78.45	391.52	7.63	-70.82
CC1=[NH+]C=CN1CCCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012522054	1	42	0.0	-76.56	336.83	6.20	-70.36
CC1=[NH+]C=CN1CCCNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012522055	1	46	0.0	-78.90	354.37	9.25	-69.65
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012522056	1	49	0.0	-70.20	398.60	8.91	-61.29
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012522057	1	50	0.0	-68.95	391.68	9.28	-59.67
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012522058	1	56	0.0	-71.42	416.84	8.25	-63.17
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012522059	1	49	0.0	-70.35	376.52	7.77	-62.58
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012522060	1	50	0.0	-68.27	395.44	7.28	-60.99
CC1=[NH+]C=CN1CCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012522061	1	50	0.0	-49.24	373.33	9.31	-39.93
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012522062	1	50	0.0	-72.71	373.48	6.50	-66.21
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012522063	1	49	0.0	-70.90	419.82	9.82	-61.08
CC1=[NH+]C=CN1CCCNC(=O)N1CCC2=C(C=CC=C2C)C1C(=O)[O-]	REAL300012522064	1	50	0.0	-61.62	391.95	10.52	-51.10
CC1=[NH+]C=CN1CCCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012522065	1	44	0.0	-53.48	345.07	8.43	-45.05
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012522066	1	50	0.0	-68.95	391.68	9.28	-59.67
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012522067	1	46	0.0	-67.97	388.22	8.56	-59.41
COC1CC(NC(=O)NCCCN2C=C[NH+]=C2C)(C(=O)[O-])C1	REAL300012522068	1	44	0.0	-70.45	356.17	5.06	-65.39
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012522069	1	40	0.0	-71.60	333.00	6.22	-65.38
CO[C@H]1C[C@](NC(=O)NCCCN2C=C[NH+]=C2C)(C(=O)[O-])C1	REAL300012522070	1	44	0.0	-72.34	356.98	5.42	-66.92
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012522071	1	43	0.0	-68.47	364.68	6.96	-61.51
CCC1(C(=O)[O-])CCCN1C(=O)NCCCN1C=C[NH+]=C1C	REAL300012522072	1	46	0.0	-78.24	352.49	9.17	-69.07
CC1=[NH+]C=CN1CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012522073	1	39	0.0	-63.66	338.54	6.21	-57.45
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012522074	1	47	0.0	-69.05	378.33	5.54	-63.51
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012522075	1	43	0.0	-70.72	373.50	7.62	-63.10
COCC(NC(=O)NCCCN1C=C[NH+]=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012522076	1	50	0.0	-71.07	400.36	7.53	-63.54
CC1=[NH+]C=CN1CCCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012522077	1	44	0.0	-76.89	345.43	8.15	-68.74
CC1=[NH+]C=CN1CCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012522078	1	49	0.0	-50.50	391.07	11.41	-39.09
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012522079	1	50	0.0	-70.34	420.88	8.14	-62.20
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012522080	1	52	0.0	-69.67	403.77	8.67	-61.00
CC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012522081	1	49	0.0	-70.86	404.85	9.27	-61.59
CC1=[NH+]C=CN1CCCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012522082	1	49	0.0	-70.00	404.85	9.27	-60.73
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012522083	1	50	0.0	-71.82	385.07	8.26	-63.56
CC1=[NH+]C=CN1CCCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012522084	1	52	0.0	-69.22	403.53	8.75	-60.47
CC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012522085	1	52	0.0	-70.25	403.53	8.75	-61.50
CC1=[NH+]C=CN1CCCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012522086	1	50	0.0	-52.61	384.06	9.37	-43.24
CC1=[NH+]C=CN1CCCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012522087	1	50	0.0	-77.14	381.99	9.29	-67.85
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012522088	1	50	0.0	-75.17	423.94	8.11	-67.06
COC1=CC=C(CC(NC(=O)NCCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300012522089	1	50	0.0	-71.02	411.31	7.80	-63.22
C=CCSCC(NC(=O)NCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012522090	1	44	0.0	-67.46	381.19	7.36	-60.10
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012522091	1	47	0.0	-70.38	402.63	8.90	-61.48
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012522092	1	50	0.0	-83.66	421.51	8.48	-75.18
COC1=CC=C2NC=C(CC(NC(=O)NCCCN3C=C[NH+]=C3C)C(=O)[O-])C2=C1	REAL300012522093	1	54	0.0	-82.50	445.31	7.73	-74.77
COC1(C(NC(=O)NCCCN2C=C[NH+]=C2C)C(=O)[O-])CCC1	REAL300012522094	1	47	0.0	-67.04	371.06	5.14	-61.90
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012522095	1	49	0.0	-73.21	385.37	8.53	-64.68
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012522096	1	50	0.0	-73.43	390.92	9.62	-63.81
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012522097	1	43	0.0	-77.27	356.39	7.03	-70.24
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012522099	1	55	0.0	-70.71	435.58	9.95	-60.76
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012522100	1	52	0.0	-70.36	419.82	9.48	-60.88
CC1=[NH+]C=CN1CCCNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012522101	1	42	0.0	-54.71	338.28	8.22	-46.49
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012522102	1	46	0.0	-76.91	358.34	8.04	-68.87
CCOC1=CC=C(C(NC(=O)NCCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300012522103	1	50	0.0	-69.84	410.70	7.85	-61.99
CC1=[NH+]C=CN1CCCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012522104	1	50	0.0	-78.73	378.85	10.24	-68.49
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012522105	1	50	0.0	-70.58	401.72	9.56	-61.02
CC1=[NH+]C=CN1CCCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012522106	1	50	0.0	-74.96	402.03	8.61	-66.35
CC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012522107	1	46	0.0	-73.24	395.00	8.50	-64.74
CC1=[NH+]C=CN1CCCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012522108	1	48	0.0	-69.37	383.17	7.56	-61.81
CC1=[NH+]C=CN1CCCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012522109	1	47	0.0	-52.91	369.08	8.88	-44.03
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012522110	1	47	0.0	-69.05	378.33	5.54	-63.51
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCN2C=C[NH+]=C2C)C1	REAL300012522111	1	44	0.0	-73.70	365.46	8.59	-65.11
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012522112	1	47	0.0	-72.38	361.52	8.07	-64.31
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012522113	1	44	0.0	-75.34	345.94	7.42	-67.92
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012522114	1	47	0.0	-73.54	367.09	7.83	-65.71
CC1=[NH+]C=CN1CCCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012522115	1	49	0.0	-68.39	392.46	10.54	-57.85
CC1=[NH+]C=CN1CCCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012522116	1	53	0.0	-52.79	398.13	9.86	-42.93
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012522117	1	46	0.0	-71.17	359.91	6.97	-64.20
CC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012522118	1	46	0.0	-57.44	380.37	10.30	-47.14
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012522119	1	53	0.0	-70.96	433.79	10.96	-60.00
CC1=[NH+]C=CN1CCCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012522120	1	46	0.0	-52.95	362.06	8.19	-44.76
CC1=[NH+]C=CN1CCCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012522121	1	47	0.0	-56.79	386.53	9.98	-46.81
CC1=[NH+]C=CN1CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012522122	1	49	0.0	-67.93	406.14	9.34	-58.59
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012522123	1	43	0.0	-75.62	344.38	8.49	-67.13
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012522124	1	40	0.0	-78.97	333.87	7.53	-71.44
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012522125	1	46	0.0	-67.97	388.22	8.56	-59.41
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012522126	1	43	0.0	-70.04	372.45	7.47	-62.57
CC1=[NH+]C=CN1CCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012522127	1	43	0.0	-68.66	351.38	8.07	-60.59
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012522128	1	47	0.0	-73.43	386.62	8.23	-65.20
CC1=[NH+]C=CN1CCCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012522129	1	51	0.0	-74.97	410.41	9.88	-65.09
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012522130	1	43	0.0	-70.04	372.45	7.47	-62.57
CC1=[NH+]C=CN1CCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012522131	1	47	0.0	-77.57	361.09	8.78	-68.79
COCCCC(NC(=O)NCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012522132	1	46	0.0	-69.29	378.61	5.33	-63.96
CC1=[NH+]C=CN1CCCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012522133	1	48	0.0	-69.08	374.03	7.93	-61.15
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012522134	1	47	0.0	-72.55	374.21	6.03	-66.52
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012522135	1	43	0.0	-69.42	380.27	8.20	-61.22
CC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012522136	1	47	0.0	-72.03	377.56	8.74	-63.29
CC1=[NH+]C=CN1CCCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012522137	1	44	0.0	-77.21	345.24	6.95	-70.26
CC1=[NH+]C=CN1CCCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012522138	1	46	0.0	-68.04	364.90	8.38	-59.66
CC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012522139	1	57	0.0	-73.00	415.32	9.66	-63.34
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012522140	1	49	0.0	-73.69	411.78	8.73	-64.96
CC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012522141	1	43	0.0	-57.57	356.41	8.19	-49.38
CC1=[NH+]C=CN1CCCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012522142	1	54	0.0	-77.18	395.46	8.96	-68.22
CC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012522143	1	45	0.0	-70.52	393.45	7.20	-63.32
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCN2C=C[NH+]=C2C)C1	REAL300012522144	1	47	0.0	-72.51	376.47	7.45	-65.06
C=CCOCC(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522145	0	49	0.0	-71.75	383.48	5.39	-66.36
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012522146	0	52	0.0	-74.08	381.36	5.40	-68.68
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012522147	0	48	0.0	-66.35	385.70	7.79	-58.56
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012522148	0	48	0.0	-66.15	395.59	8.24	-57.91
COC1CCN(C(=O)NCC[NH+]2CCC(C)CC2)C(C(=O)[O-])C1	REAL300012522149	0	52	0.0	-79.30	377.05	7.63	-71.67
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012522150	0	52	0.0	-69.60	381.34	5.42	-64.18
CC1CC[NH+](CCNC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012522151	0	51	0.0	-78.27	360.76	8.88	-69.39
CC1=CC(C(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])=CC=C1F	REAL300012522152	0	51	0.0	-68.57	399.75	8.37	-60.20
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012522153	0	53	0.0	-70.70	408.70	7.60	-63.10
CC1=CC(C)=CC(C(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012522154	0	54	0.0	-72.10	415.87	9.00	-63.10
CC1=CC=C(C(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1C	REAL300012522155	0	54	0.0	-72.25	411.42	8.87	-63.38
COC1=CC=C(C(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1Cl	REAL300012522156	0	52	0.0	-69.18	418.52	7.53	-61.65
CC1=CC=CC(C(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1C	REAL300012522157	0	54	0.0	-70.92	403.87	8.81	-62.11
COC1=CC=C(C(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1F	REAL300012522158	0	52	0.0	-68.87	408.12	7.08	-61.79
CC(C(=O)[O-])N(C(=O)NCC[NH+]1CCC(C)CC1)C1CCC1	REAL300012522159	0	51	0.0	-59.31	368.89	8.57	-50.74
CCCN(C(=O)NCC[NH+]1CCC(C)CC1)C(COC)C(=O)[O-]	REAL300012522160	0	54	0.0	-72.79	398.19	9.14	-63.65
CCCN(C(=O)NCC[NH+]1CCC(C)CC1)C(CC)C(=O)[O-]	REAL300012522161	0	53	0.0	-48.12	381.11	9.84	-38.28
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012522162	0	48	0.0	-67.54	389.13	8.22	-59.32
CC1CC[NH+](CCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012522163	0	46	0.0	-77.14	346.78	8.64	-68.50
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012522164	0	51	0.0	-73.31	366.38	7.81	-65.50
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012522165	0	54	0.0	-74.05	372.04	8.48	-65.57
CC1CC[NH+](CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012522166	0	51	0.0	-71.97	395.30	8.63	-63.34
CC1CC[NH+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012522167	0	51	0.0	-55.27	393.79	10.42	-44.85
CC1CC[NH+](CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012522168	0	48	0.0	-71.39	373.04	7.67	-63.72
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012522169	0	48	0.0	-71.54	373.00	7.67	-63.87
CC1CC[NH+](CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012522170	0	51	0.0	-71.97	395.30	8.63	-63.34
CC1CC[NH+](CCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012522171	0	52	0.0	-78.92	385.02	10.70	-68.22
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012522172	0	45	0.0	-69.68	364.63	6.76	-62.92
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012522173	0	51	0.0	-73.31	366.38	7.81	-65.50
CC1CC[NH+](CCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012522174	0	51	0.0	-53.27	410.44	10.95	-42.32
CC1CC[NH+](CCNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012522175	0	55	0.0	-71.50	423.50	8.72	-62.78
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCC[NH+]2CCC(C)CC2)=C1	REAL300012522176	0	59	0.0	-57.70	452.78	9.03	-48.67
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300012522177	0	48	0.0	-67.42	393.69	8.33	-59.09
CC1CC[NH+](CCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012522178	0	51	0.0	-53.51	400.12	10.49	-43.02
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012522179	0	52	0.0	-71.97	390.98	8.86	-63.11
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012522180	0	48	0.0	-71.20	383.61	7.90	-63.30
CC1CC[NH+](CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012522181	0	51	0.0	-71.28	380.83	8.45	-62.83
CCCCCCC(C)(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522182	0	59	0.0	-69.45	426.99	9.07	-60.38
CC1CC[NH+](CCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012522183	0	54	0.0	-70.10	404.36	10.64	-59.46
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012522184	0	48	0.0	-67.54	389.13	8.22	-59.32
CC1CC[NH+](CCNC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012522185	0	54	0.0	-75.18	375.64	9.13	-66.05
CC1CC[NH+](CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012522186	0	54	0.0	-56.53	416.20	11.19	-45.34
CC1CC[NH+](CCNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012522187	0	51	0.0	-70.33	384.16	9.56	-60.77
COCCN(CC(=O)[O-])C(=O)NCC[NH+]1CCC(C)CC1	REAL300012522188	0	48	0.0	-56.07	366.17	6.60	-49.47
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012522189	0	52	0.0	-74.78	387.74	8.78	-66.00
CC1CC[NH+](CCNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012522190	0	55	0.0	-78.00	428.95	8.62	-69.38
CC1CC[NH+](CCNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012522191	0	51	0.0	-76.37	359.84	9.05	-67.32
CC1CC[NH+](CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012522192	0	54	0.0	-56.53	416.20	11.19	-45.34
CC1CC[NH+](CCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012522193	0	51	0.0	-54.34	371.14	8.98	-45.36
CCCCCC(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522194	0	53	0.0	-70.32	401.36	7.93	-62.39
CCC1CCC(NC(=O)NCC[NH+]2CCC(C)CC2)(C(=O)[O-])CC1	REAL300012522195	0	57	0.0	-73.18	405.89	9.11	-64.07
CC1CC[NH+](CCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012522196	0	52	0.0	-54.98	379.56	7.32	-47.66
CC1CC[NH+](CCNC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012522197	0	51	0.0	-75.96	362.77	8.45	-67.51
CCC(C(=O)[O-])N(C(=O)NCC[NH+]1CCC(C)CC1)C1CC1	REAL300012522198	0	51	0.0	-57.37	374.71	9.28	-48.09
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012522199	0	48	0.0	-73.33	384.98	8.11	-65.22
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012522200	0	48	0.0	-77.28	377.43	7.76	-69.52
CC1CC[NH+](CCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012522201	0	52	0.0	-57.94	388.40	10.14	-47.80
CC1CC[NH+](CCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012522202	0	51	0.0	-75.01	410.69	8.94	-66.07
CC1CC[NH+](CCNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012522203	0	57	0.0	-74.51	438.67	10.68	-63.83
CC1CC[NH+](CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012522204	0	57	0.0	-70.42	416.95	8.87	-61.55
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[NH+]1CCC(C)CC1	REAL300012522205	0	54	0.0	-53.79	401.43	10.49	-43.30
CC1=CC=C(C(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012522206	0	51	0.0	-71.52	394.43	8.36	-63.16
CC1CC[NH+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012522207	0	44	0.0	-63.96	351.96	6.32	-57.64
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012522208	0	54	0.0	-72.47	418.78	10.01	-62.46
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012522209	0	49	0.0	-69.81	364.08	7.51	-62.30
COCC(C)(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522210	0	48	0.0	-73.73	359.25	5.26	-68.47
CCOCC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCC(C)CC1	REAL300012522211	0	51	0.0	-68.68	379.01	6.97	-61.71
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[NH+]1CCC(C)CC1	REAL300012522212	0	57	0.0	-53.05	421.87	11.76	-41.29
CC1CC[NH+](CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012522213	0	47	0.0	-55.90	374.43	8.55	-47.35
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012522214	0	54	0.0	-71.38	389.93	7.89	-63.49
CC1CC[NH+](CCNC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012522215	0	55	0.0	-69.82	405.61	8.38	-61.44
CC1CC[NH+](CCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012522216	0	55	0.0	-77.13	411.55	11.78	-65.35
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012522217	0	49	0.0	-72.88	357.81	5.32	-67.56
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[NH+]1CCC(C)CC1	REAL300012522218	0	54	0.0	-45.58	403.07	11.50	-34.08
COC1=CC=C(C(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012522219	0	52	0.0	-70.75	401.89	7.00	-63.75
CCC(COC)(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522220	0	51	0.0	-75.07	375.92	6.17	-68.90
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCC(C)CC1	REAL300012522221	0	54	0.0	-68.70	399.28	7.74	-60.96
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012522222	0	51	0.0	-75.36	382.91	3.81	-71.55
COCCC(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522223	0	48	0.0	-70.78	370.54	4.66	-66.12
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCC(C)CC1	REAL300012522224	0	53	0.0	-69.24	386.10	9.03	-60.21
CC1CC[NH+](CCNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012522225	0	44	0.0	-69.64	348.38	5.90	-63.74
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCC(C)CC1	REAL300012522226	0	54	0.0	-78.49	387.47	10.05	-68.44
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[NH+]1CCC(C)CC1	REAL300012522227	0	54	0.0	-76.38	403.96	11.30	-65.08
CCC(NC(=O)NCC[NH+]1CCC(C)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012522228	0	54	0.0	-69.04	414.46	9.85	-59.19
CCC(NC(=O)NCC[NH+]1CCC(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012522229	0	54	0.0	-72.07	397.80	9.35	-62.72
COC1CCCC(C(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])C1	REAL300012522230	0	58	0.0	-75.33	422.38	6.89	-68.44
COC1(CC(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])CCC1	REAL300012522231	0	55	0.0	-72.37	407.27	6.97	-65.40
CC1CC[NH+](CCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012522232	0	52	0.0	-54.98	379.56	7.32	-47.66
CC1CC[NH+](CCNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012522233	0	54	0.0	-54.69	388.51	9.69	-45.00
CC1CC[NH+](CCNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012522234	0	54	0.0	-73.42	380.64	8.24	-65.18
COC1=CC=CC(C(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012522235	0	52	0.0	-73.81	402.50	6.96	-66.85
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300012522236	0	48	0.0	-72.37	388.16	8.16	-64.21
CC1CC[NH+](CCNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012522237	0	47	0.0	-66.46	347.59	6.12	-60.34
CC1CC[NH+](CCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012522238	0	49	0.0	-60.48	370.23	8.20	-52.28
CC1CC[NH+](CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012522239	0	45	0.0	-70.54	349.82	7.41	-63.13
COC1=CC=CC([C@H](NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012522240	0	52	0.0	-73.83	402.53	6.96	-66.87
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC[NH+]2CCC(C)CC2)C1	REAL300012522241	0	54	0.0	-78.07	401.65	9.40	-68.67
COC1=CC=CC(CC(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012522242	0	55	0.0	-75.16	424.74	7.92	-67.24
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012522243	0	57	0.0	-74.35	394.32	8.68	-65.67
CC1CC[NH+](CCNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300012522244	0	54	0.0	-68.82	415.15	9.33	-59.49
CC1CC[NH+](CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012522245	0	53	0.0	-75.49	409.05	9.13	-66.36
COC1CN(C(=O)NCC[NH+]2CCC(C)CC2)C(C)(C(=O)[O-])C1	REAL300012522246	0	52	0.0	-73.01	385.54	7.10	-65.91
CC1CC[NH+](CCNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012522247	0	55	0.0	-69.49	408.01	6.50	-62.99
C=C(Cl)CC(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522248	0	45	0.0	-70.28	365.30	6.68	-63.60
CC1CC[NH+](CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012522249	0	49	0.0	-83.59	357.41	8.96	-74.63
CC1CC[NH+](CCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012522250	0	54	0.0	-69.54	404.82	8.88	-60.66
CC1CC[NH+](CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012522251	0	45	0.0	-70.54	349.85	7.41	-63.13
CC1CC[NH+](CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012522252	0	45	0.0	-73.96	342.56	7.65	-66.31
CC1CC[NH+](CCNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012522253	0	55	0.0	-70.93	404.12	7.09	-63.84
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012522254	0	52	0.0	-74.08	381.36	5.40	-68.68
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012522255	0	48	0.0	-71.54	373.00	7.67	-63.87
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300012522256	0	51	0.0	-70.73	411.74	8.66	-62.07
CC1CC[NH+](CCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012522257	0	47	0.0	-68.88	381.83	5.78	-63.10
CC(C)CCCC(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522258	0	56	0.0	-70.32	418.93	8.44	-61.88
CC1CC[NH+](CCNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012522259	0	54	0.0	-73.75	424.53	9.14	-64.61
CC1CC[NH+](CCNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012522260	0	52	0.0	-73.99	392.81	6.05	-67.94
CSCC(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522261	0	45	0.0	-66.73	359.66	6.05	-60.68
CC1CC[NH+](CCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012522262	0	51	0.0	-69.46	401.41	8.75	-60.71
CCC(C)CC(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522263	0	53	0.0	-70.60	393.80	7.56	-63.04
C=CCCCC(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522264	0	51	0.0	-69.06	391.84	7.72	-61.34
CC1CC[NH+](CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012522265	0	51	0.0	-69.99	401.63	8.68	-61.31
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012522266	0	54	0.0	-75.13	413.91	9.84	-65.29
CC1CC[NH+](CCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012522267	0	46	0.0	-77.14	346.78	8.64	-68.50
CC1CC[NH+](CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012522268	0	51	0.0	-71.28	380.83	8.45	-62.83
CC1CC[NH+](CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012522269	0	49	0.0	-81.55	357.60	9.12	-72.43
CC1CC[NH+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012522270	0	44	0.0	-66.06	349.41	7.93	-58.13
CC1CC[NH+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012522271	0	44	0.0	-66.06	349.41	7.93	-58.13
CC1CC[NH+](CCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012522272	0	57	0.0	-56.33	423.13	5.89	-50.44
CC1CC[NH+](CCNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012522273	1	61	0.0	-55.51	443.11	5.53	-49.98
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[NH+]1CCC(C)CC1	REAL300012522274	0	52	0.0	-53.03	390.83	10.33	-42.70
CC1CC[NH+](CCNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012522275	0	55	0.0	-61.44	399.93	10.70	-50.74
CC1CC[NH+](CCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012522276	0	53	0.0	-70.97	393.16	8.85	-62.12
CC1CC[NH+](CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012522277	0	48	0.0	-71.39	373.04	7.67	-63.72
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012522278	0	51	0.0	-67.67	411.73	8.67	-59.00
CC1CC[NH+](CCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012522279	0	53	0.0	-72.12	412.91	7.69	-64.43
CC1CC[NH+](CCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012522280	0	47	0.0	-72.89	381.57	5.68	-67.21
CC1CC[NH+](CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012522281	0	48	0.0	-66.52	400.51	7.45	-59.07
CC1CC[NH+](CCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012522282	0	48	0.0	-86.83	366.12	5.08	-81.75
CC1CC[NH+](CCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012522283	0	49	0.0	-71.05	363.88	6.77	-64.28
CC1CC[NH+](CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012522284	0	48	0.0	-71.46	373.00	7.68	-63.78
CC1CC[NH+](CCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012522285	0	51	0.0	-69.81	386.71	7.06	-62.75
CC1CC[NH+](CCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012522286	0	51	0.0	-54.34	371.14	8.98	-45.36
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012522287	0	49	0.0	-78.92	368.53	3.50	-75.42
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522288	0	57	0.0	-72.62	420.31	6.86	-65.76
CC1CCC(NC(=O)NCC[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012522289	0	51	0.0	-73.39	373.39	7.38	-66.01
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012522290	0	54	0.0	-73.34	382.39	8.07	-65.27
COCCC(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522291	0	48	0.0	-70.78	370.54	4.66	-66.12
CC1CC[NH+](CCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012522292	0	54	0.0	-70.10	404.36	10.64	-59.46
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012522293	0	51	0.0	-74.94	374.19	8.02	-66.92
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)CC1	REAL300012522294	0	58	0.0	-75.50	421.81	10.05	-65.45
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522295	0	57	0.0	-71.21	420.72	6.89	-64.32
CC1CC[NH+](CCNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012522296	0	56	0.0	-59.13	415.63	11.26	-47.87
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012522297	0	49	0.0	-68.08	369.58	4.75	-63.33
CC1CC[NH+](CCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012522298	0	49	0.0	-79.92	358.12	8.69	-71.23
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012522299	0	52	0.0	-78.51	404.70	7.82	-70.69
CC1CC[NH+](CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012522300	0	47	0.0	-77.31	350.25	6.33	-70.98
CC1CC[NH+](CCNC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012522301	0	51	0.0	-78.86	367.79	9.38	-69.48
CC(C1=CC=CC=C1)C(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522302	0	54	0.0	-70.09	410.46	9.03	-61.06
CC1CC[NH+](CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012522303	0	55	0.0	-70.54	405.08	9.40	-61.14
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012522304	0	61	0.0	-72.28	430.71	8.41	-63.87
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012522305	0	54	0.0	-71.38	389.93	7.89	-63.49
CC1CC[NH+](CCNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012522306	0	55	0.0	-69.65	409.11	7.33	-62.32
CC1CC[NH+](CCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012522307	0	55	0.0	-47.64	382.71	9.35	-38.29
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012522308	0	55	0.0	-73.97	386.91	6.62	-67.35
CC1CC[NH+](CCNC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012522309	0	54	0.0	-71.81	433.24	9.95	-61.86
CC1=CC=CC2=C1CCN(C(=O)NCC[NH+]1CCC(C)CC1)C2C(=O)[O-]	REAL300012522310	0	55	0.0	-60.33	405.82	10.69	-49.64
CC1CC[NH+](CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012522311	0	49	0.0	-49.79	358.26	8.54	-41.25
CC1CC[NH+](CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012522312	0	55	0.0	-70.54	405.08	9.40	-61.14
CC1CC[NH+](CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012522313	0	51	0.0	-73.17	401.47	8.75	-64.42
COC1CC(NC(=O)NCC[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012522314	0	49	0.0	-76.80	371.91	5.31	-71.49
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012522315	0	45	0.0	-72.78	346.87	6.38	-66.40
CO[C@H]1C[C@](NC(=O)NCC[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012522316	0	49	0.0	-71.29	370.41	5.62	-65.67
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012522317	0	48	0.0	-64.61	377.36	7.11	-57.50
CCC1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCC(C)CC1	REAL300012522318	0	51	0.0	-76.24	368.52	9.22	-67.02
CC1CC[NH+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012522319	0	44	0.0	-63.96	351.96	6.32	-57.64
CC1CC[NH+](CCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012522320	0	52	0.0	-69.62	388.54	5.34	-64.28
CC1CC[NH+](CCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012522321	0	48	0.0	-70.74	386.33	7.69	-63.05
COCC(NC(=O)NCC[NH+]1CCC(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012522322	0	55	0.0	-70.25	414.00	7.68	-62.57
CC1CC[NH+](CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012522323	0	49	0.0	-78.40	359.52	8.12	-70.28
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[NH+]1CCC(C)CC1	REAL300012522324	0	54	0.0	-76.38	403.96	11.30	-65.08
CC1CC[NH+](CCNC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300012522325	0	55	0.0	-71.70	434.55	8.21	-63.49
CC1CC[NH+](CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012522326	0	57	0.0	-70.42	416.95	8.87	-61.55
CC1CC[NH+](CCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012522327	0	54	0.0	-71.47	418.27	9.40	-62.07
CC1CC[NH+](CCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012522328	0	54	0.0	-71.44	418.27	9.39	-62.05
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012522329	0	55	0.0	-72.76	399.15	8.26	-64.50
CC1CC[NH+](CCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012522330	0	57	0.0	-70.94	417.20	8.81	-62.13
CC1CC[NH+](CCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012522331	0	57	0.0	-71.06	417.20	8.81	-62.25
CC1CC[NH+](CCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012522332	0	55	0.0	-49.43	397.49	9.49	-39.94
CC1CC[NH+](CCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012522333	0	55	0.0	-78.17	395.38	9.42	-68.75
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300012522334	0	55	0.0	-75.63	437.36	8.22	-67.41
COC1=CC=C(CC(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012522335	0	55	0.0	-70.58	423.90	7.93	-62.65
C=CCSCC(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522336	0	49	0.0	-66.76	393.93	7.50	-59.26
CC1CC[NH+](CCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012522337	0	52	0.0	-70.93	415.85	9.08	-61.85
CC1CC[NH+](CCNC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300012522338	0	55	0.0	-84.52	434.69	8.67	-75.85
COC1(C(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])CCC1	REAL300012522339	0	52	0.0	-67.14	384.46	5.27	-61.87
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012522340	0	54	0.0	-74.53	398.78	8.65	-65.88
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012522341	0	55	0.0	-73.17	404.34	9.74	-63.43
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012522342	0	48	0.0	-77.43	369.82	7.15	-70.28
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300012522344	0	60	0.0	-70.57	449.01	10.08	-60.49
CC(C)C1=CC=C(C(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012522345	0	57	0.0	-71.02	433.27	9.61	-61.41
CC1CC[NH+](CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012522346	0	45	0.0	-73.96	342.56	7.65	-66.31
CC1CC[NH+](CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012522347	0	47	0.0	-50.14	351.70	8.33	-41.81
CC1CC[NH+](CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012522348	0	51	0.0	-76.61	368.40	8.52	-68.09
CCOC1=CC=C(C(NC(=O)NCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012522349	0	55	0.0	-70.53	423.75	7.93	-62.60
CC1CC[NH+](CCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012522350	0	55	0.0	-79.56	391.04	10.42	-69.14
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012522351	0	55	0.0	-71.87	414.49	10.13	-61.74
CC1CC[NH+](CCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012522352	0	55	0.0	-75.63	415.45	8.72	-66.91
CC1CC[NH+](CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012522353	0	51	0.0	-73.86	408.42	8.62	-65.24
CC(C)CCC(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522354	0	53	0.0	-70.48	397.43	7.66	-62.82
CC1CC[NH+](CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012522355	0	52	0.0	-49.68	382.96	9.04	-40.64
CC1CC[NH+](CCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012522356	0	52	0.0	-69.62	388.54	5.34	-64.28
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[NH+]2CCC(C)CC2)C1	REAL300012522357	0	49	0.0	-74.08	379.35	8.73	-65.35
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012522358	0	52	0.0	-72.78	374.94	8.20	-64.58
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012522359	0	49	0.0	-75.05	359.36	7.55	-67.50
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012522360	0	52	0.0	-72.77	380.61	7.94	-64.83
CC1CC[NH+](CCNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012522361	0	54	0.0	-70.05	404.36	10.64	-59.41
CC1CC[NH+](CCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012522362	0	58	0.0	-49.80	411.56	9.98	-39.82
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012522363	0	51	0.0	-70.71	373.03	7.19	-63.52
CO[C@H](C)[C@H](NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522364	0	48	0.0	-71.48	366.87	4.85	-66.63
CC1CC[NH+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012522365	0	51	0.0	-55.27	393.79	10.42	-44.85
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300012522366	0	58	0.0	-71.12	446.59	11.11	-60.01
CC1CC[NH+](CCNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012522367	0	51	0.0	-49.75	375.48	8.31	-41.44
CC1CC[NH+](CCNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012522368	0	52	0.0	-74.40	395.01	10.70	-63.70
CC1CC[NH+](CCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012522369	0	48	0.0	-76.51	357.80	8.62	-67.89
CC1CC[NH+](CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012522370	0	45	0.0	-80.00	347.75	7.69	-72.31
CC1CC[NH+](CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012522371	0	51	0.0	-73.17	401.47	8.75	-64.42
CC1CC[NH+](CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012522372	0	48	0.0	-70.91	386.11	7.53	-63.38
CC1CC[NH+](CCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012522373	0	48	0.0	-69.47	364.81	8.19	-61.28
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012522374	0	52	0.0	-74.21	400.05	8.35	-65.86
CC1CC[NH+](CCNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300012522375	0	56	0.0	-74.97	424.34	10.02	-64.95
CC1CC[NH+](CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012522376	0	48	0.0	-70.91	386.11	7.53	-63.38
CC1CC[NH+](CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012522377	0	52	0.0	-78.41	374.96	8.72	-69.69
COCCCC(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522378	0	51	0.0	-69.78	392.04	5.44	-64.34
CCOCC(NC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012522379	0	48	0.0	-72.08	370.58	4.81	-67.27
CC1CC[NH+](CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012522380	0	53	0.0	-70.46	387.46	8.06	-62.40
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012522381	0	52	0.0	-72.74	387.62	6.15	-66.59
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300012522382	0	48	0.0	-69.71	393.70	8.32	-61.39
CC1CC[NH+](CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012522383	0	52	0.0	-71.97	390.98	8.86	-63.11
CC1CC[NH+](CCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012522384	0	49	0.0	-77.52	359.09	7.11	-70.41
CC1CC[NH+](CCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012522385	0	51	0.0	-70.82	378.28	8.50	-62.32
CC1CC[NH+](CCNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300012522386	0	62	0.0	-75.14	429.41	9.71	-65.43
CC1CC[NH+](CCNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012522387	0	54	0.0	-74.31	424.96	8.93	-65.38
CC1CC[NH+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012522388	0	48	0.0	-56.23	375.46	8.56	-47.67
CC1CC[NH+](CCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012522389	0	59	0.0	-77.34	408.88	9.09	-68.25
CC1CC[NH+](CCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012522390	0	50	0.0	-67.35	407.08	7.24	-60.11
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[NH+]2CCC(C)CC2)C1	REAL300012522391	0	52	0.0	-76.54	391.92	7.22	-69.32
C=CCOCC(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522392	0	49	0.0	-70.34	377.20	5.43	-64.91
C=CCOCC(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522392	1	49	0.0	-71.68	383.93	5.41	-66.27
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012522393	0	52	0.0	-68.40	377.70	5.64	-62.76
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012522393	1	52	0.0	-69.47	385.39	5.69	-63.78
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012522394	0	48	0.0	-65.25	379.45	7.82	-57.43
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012522394	1	48	0.0	-67.29	385.96	7.89	-59.40
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012522395	0	48	0.0	-64.55	389.10	8.36	-56.19
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012522395	1	48	0.0	-67.00	395.85	8.34	-58.66
COC1CCN(C(=O)NCC[N@@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012522396	0	52	0.0	-78.22	370.76	7.66	-70.56
COC1CCN(C(=O)NCC[N@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012522396	1	52	0.0	-78.24	377.44	7.70	-70.54
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012522397	0	52	0.0	-69.32	380.53	5.73	-63.59
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012522397	1	52	0.0	-68.23	385.33	5.72	-62.51
CC1CCN(C(=O)NCC[N@@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012522398	0	51	0.0	-77.30	367.68	9.17	-68.13
CC1CCN(C(=O)NCC[N@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012522398	1	51	0.0	-78.69	368.33	9.43	-69.26
CC1=CC(C(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])=CC=C1F	REAL300012522399	0	51	0.0	-67.12	393.22	8.49	-58.63
CC1=CC(C(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])=CC=C1F	REAL300012522399	1	51	0.0	-67.15	399.57	8.42	-58.73
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012522400	0	53	0.0	-70.41	402.66	7.55	-62.86
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012522400	1	53	0.0	-70.43	409.11	7.61	-62.82
CC1=CC(C)=CC(C(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012522401	0	54	0.0	-71.12	409.59	9.04	-62.08
CC1=CC(C)=CC(C(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012522401	1	54	0.0	-70.83	416.08	9.10	-61.73
CC1=CC=C(C(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1C	REAL300012522402	0	54	0.0	-71.14	405.19	8.91	-62.23
CC1=CC=C(C(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1C	REAL300012522402	1	54	0.0	-71.42	411.91	8.89	-62.53
COC1=CC=C(C(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1Cl	REAL300012522403	0	52	0.0	-70.57	419.02	7.54	-63.03
COC1=CC=C(C(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1Cl	REAL300012522403	1	52	0.0	-70.30	412.27	7.56	-62.74
CC1=CC=CC(C(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])=C1C	REAL300012522404	0	54	0.0	-70.32	396.74	8.72	-61.60
CC1=CC=CC(C(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1C	REAL300012522404	1	54	0.0	-70.10	405.04	8.85	-61.25
COC1=CC=C(C(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1F	REAL300012522405	0	52	0.0	-71.10	408.97	7.14	-63.96
COC1=CC=C(C(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1F	REAL300012522405	1	52	0.0	-70.91	402.22	7.15	-63.76
CC(C(=O)[O-])N(C(=O)NCC[N@@H+]1CCCC(C)C1)C1CCC1	REAL300012522406	0	51	0.0	-46.20	365.11	9.28	-36.92
CC(C(=O)[O-])N(C(=O)NCC[N@H+]1CCCC(C)C1)C1CCC1	REAL300012522406	1	51	0.0	-56.29	363.55	8.69	-47.60
CCCN(C(=O)NCC[N@@H+]1CCCC(C)C1)C(COC)C(=O)[O-]	REAL300012522407	0	54	0.0	-71.69	399.01	9.14	-62.55
CCCN(C(=O)NCC[N@H+]1CCCC(C)C1)C(COC)C(=O)[O-]	REAL300012522407	1	54	0.0	-70.47	392.35	9.14	-61.33
CCCN(C(=O)NCC[N@@H+]1CCCC(C)C1)C(CC)C(=O)[O-]	REAL300012522408	0	53	0.0	-70.69	384.83	9.80	-60.89
CCCN(C(=O)NCC[N@H+]1CCCC(C)C1)C(CC)C(=O)[O-]	REAL300012522408	1	53	0.0	-67.65	377.17	9.22	-58.43
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012522409	0	48	0.0	-67.06	383.49	8.23	-58.83
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012522409	1	48	0.0	-67.38	390.19	8.21	-59.17
CC1CCC[N@H+](CCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012522410	0	46	0.0	-76.54	340.85	8.77	-67.77
CC1CCC[N@@H+](CCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012522410	1	46	0.0	-77.04	340.96	8.80	-68.24
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012522411	0	51	0.0	-72.37	360.11	7.85	-64.52
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012522411	1	51	0.0	-72.41	360.11	7.85	-64.56
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012522412	0	54	0.0	-73.04	365.75	8.52	-64.52
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012522412	1	54	0.0	-72.80	365.74	8.52	-64.28
CC1CCC[N@H+](CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522413	0	51	0.0	-70.64	388.96	8.66	-61.98
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522413	1	51	0.0	-70.56	395.45	8.69	-61.87
CC1CCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012522414	0	51	0.0	-53.83	387.53	10.45	-43.38
CC1CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012522414	1	51	0.0	-54.51	394.22	10.43	-44.08
CC1CCC[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522415	0	48	0.0	-70.42	366.77	7.70	-62.72
CC1CCC[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522415	1	48	0.0	-70.17	373.25	7.77	-62.40
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522416	0	48	0.0	-70.45	366.77	7.71	-62.74
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522416	1	48	0.0	-70.18	373.25	7.77	-62.41
CC1CCC[N@H+](CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522417	0	51	0.0	-70.64	388.96	8.66	-61.98
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522417	1	51	0.0	-70.56	395.45	8.69	-61.87
CC1CCC[N@H+](CCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012522418	0	52	0.0	-78.84	385.38	10.76	-68.08
CC1CCC[N@@H+](CCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012522418	1	52	0.0	-79.01	385.52	10.89	-68.12
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012522419	0	45	0.0	-67.69	357.74	6.82	-60.87
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012522419	1	45	0.0	-68.93	365.11	6.77	-62.16
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012522420	0	51	0.0	-72.37	360.11	7.85	-64.52
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012522420	1	51	0.0	-72.41	360.11	7.85	-64.56
CC1CCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012522421	0	51	0.0	-51.93	404.25	10.97	-40.96
CC1CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012522421	1	51	0.0	-51.72	404.93	10.67	-41.05
CC1CCC[N@H+](CCNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012522422	0	55	0.0	-70.24	417.24	8.73	-61.51
CC1CCC[N@@H+](CCNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012522422	1	55	0.0	-71.58	424.72	8.72	-62.86
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCC[N@@H+]2CCCC(C)C2)=C1	REAL300012522423	0	59	0.0	-57.05	453.23	9.04	-48.01
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCC[N@H+]2CCCC(C)C2)=C1	REAL300012522423	1	59	0.0	-57.08	453.22	9.04	-48.04
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300012522424	0	48	0.0	-66.94	388.06	8.34	-58.60
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300012522424	1	48	0.0	-67.24	394.76	8.31	-58.93
CC1CCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012522425	0	51	0.0	-52.07	393.93	10.52	-41.55
CC1CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012522425	1	51	0.0	-52.33	394.60	10.22	-42.11
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012522426	0	52	0.0	-72.49	393.01	9.00	-63.49
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012522426	1	52	0.0	-72.26	392.96	8.95	-63.31
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012522427	0	48	0.0	-69.94	377.30	7.92	-62.02
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012522427	1	48	0.0	-70.32	384.06	7.91	-62.41
CC1CCC[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522428	0	51	0.0	-70.43	381.28	8.47	-61.96
CC1CCC[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522428	1	51	0.0	-70.41	381.27	8.47	-61.94
CCCCCCC(C)(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522429	0	59	0.0	-68.55	427.44	9.09	-59.46
CCCCCCC(C)(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522429	1	59	0.0	-68.34	420.73	9.10	-59.24
CC1CCC[N@H+](CCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522430	0	54	0.0	-69.67	399.61	10.70	-58.97
CC1CCC[N@@H+](CCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522430	1	54	0.0	-69.02	397.53	10.58	-58.44
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012522431	0	48	0.0	-67.06	383.49	8.23	-58.83
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012522431	1	48	0.0	-67.38	390.19	8.21	-59.17
CC1CCC[N@H+](CCNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012522432	0	54	0.0	-74.27	369.37	9.16	-65.11
CC1CCC[N@@H+](CCNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012522432	1	54	0.0	-74.31	376.09	9.15	-65.16
CC1CCC[N@H+](CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012522433	0	54	0.0	-54.57	404.71	11.01	-43.56
CC1CCC[N@@H+](CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012522433	1	54	0.0	-55.80	416.64	11.22	-44.58
CC1CCC[N@H+](CCNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522434	0	51	0.0	-73.70	375.94	9.32	-64.38
CC1CCC[N@@H+](CCNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522434	1	51	0.0	-68.09	374.19	9.28	-58.81
COCCN(CC(=O)[O-])C(=O)NCC[N@@H+]1CCCC(C)C1	REAL300012522435	0	48	0.0	-54.66	361.04	6.75	-47.91
COCCN(CC(=O)[O-])C(=O)NCC[N@H+]1CCCC(C)C1	REAL300012522435	1	48	0.0	-55.42	366.61	6.61	-48.81
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012522436	0	52	0.0	-73.41	381.33	8.78	-64.63
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012522436	1	52	0.0	-73.98	388.32	8.80	-65.18
CC1CCC[N@H+](CCNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012522437	0	55	0.0	-77.09	422.67	8.65	-68.44
CC1CCC[N@@H+](CCNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012522437	1	55	0.0	-77.71	429.64	8.57	-69.14
CC1CCC[N@H+](CCNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012522438	0	51	0.0	-74.58	363.61	9.53	-65.05
CC1CCC[N@@H+](CCNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012522438	1	51	0.0	-76.67	359.98	9.18	-67.49
CC1CCC[N@H+](CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012522439	0	54	0.0	-54.57	404.71	11.01	-43.56
CC1CCC[N@@H+](CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012522439	1	54	0.0	-55.80	416.64	11.22	-44.58
CC1CCC[N@H+](CCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012522440	0	51	0.0	-53.34	364.87	9.02	-44.32
CC1CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012522440	1	51	0.0	-53.80	371.57	9.01	-44.79
CCCCCC(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522441	0	53	0.0	-69.48	401.81	7.94	-61.54
CCCCCC(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522441	1	53	0.0	-68.54	394.84	8.03	-60.51
CCC1CCC(NC(=O)NCC[N@@H+]2CCCC(C)C2)(C(=O)[O-])CC1	REAL300012522442	0	57	0.0	-67.63	392.83	8.38	-59.25
CCC1CCC(NC(=O)NCC[N@H+]2CCCC(C)C2)(C(=O)[O-])CC1	REAL300012522442	1	57	0.0	-72.28	399.17	9.10	-63.18
CC1CCC[N@H+](CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012522443	0	52	0.0	-53.61	373.33	7.35	-46.26
CC1CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012522443	1	52	0.0	-54.28	380.00	7.33	-46.95
CC1CCC[N@H+](CCNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012522444	0	51	0.0	-74.75	356.14	8.47	-66.28
CC1CCC[N@@H+](CCNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012522444	1	51	0.0	-75.07	362.91	8.47	-66.60
CCC(C(=O)[O-])N(C(=O)NCC[N@@H+]1CCCC(C)C1)C1CC1	REAL300012522445	0	51	0.0	-66.29	358.21	8.77	-57.52
CCC(C(=O)[O-])N(C(=O)NCC[N@H+]1CCCC(C)C1)C1CC1	REAL300012522445	1	51	0.0	-59.57	367.41	9.08	-50.49
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012522446	0	48	0.0	-71.32	378.29	8.20	-63.12
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012522446	1	48	0.0	-72.19	386.20	8.15	-64.04
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012522447	0	48	0.0	-74.98	370.94	7.86	-67.12
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012522447	1	48	0.0	-76.08	377.92	7.77	-68.31
CC1CCC[N@H+](CCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012522448	0	52	0.0	-57.44	388.38	10.10	-47.34
CC1CCC[N@@H+](CCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012522448	1	52	0.0	-59.16	388.82	10.02	-49.14
CC1CCC[N@H+](CCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012522449	0	51	0.0	-74.17	404.22	9.00	-65.17
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012522449	1	51	0.0	-74.33	410.87	8.99	-65.34
CC1CCC[N@H+](CCNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012522450	0	57	0.0	-73.83	432.61	10.65	-63.18
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012522450	1	57	0.0	-73.83	439.17	10.76	-63.07
CC1CCC[N@H+](CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012522451	0	57	0.0	-69.45	410.68	8.90	-60.55
CC1CCC[N@@H+](CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012522451	1	57	0.0	-70.20	417.65	8.82	-61.38
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@@H+]1CCCC(C)C1	REAL300012522452	0	54	0.0	-52.74	406.21	11.01	-41.73
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@H+]1CCCC(C)C1	REAL300012522452	1	54	0.0	-56.83	399.08	11.34	-45.49
CC1=CC=C(C(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012522453	0	51	0.0	-70.44	388.17	8.39	-62.05
CC1=CC=C(C(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012522453	1	51	0.0	-70.18	394.67	8.45	-61.73
CC1CCC[N@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012522454	0	44	0.0	-62.77	345.69	6.36	-56.41
CC1CCC[N@@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012522454	1	44	0.0	-63.52	353.01	6.39	-57.13
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012522455	0	54	0.0	-71.69	412.75	9.99	-61.70
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012522455	1	54	0.0	-72.07	419.45	9.97	-62.10
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012522456	0	49	0.0	-68.89	364.52	7.52	-61.37
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012522456	1	49	0.0	-68.56	357.79	7.50	-61.06
COCC(C)(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522457	0	48	0.0	-72.84	359.70	5.28	-67.56
COCC(C)(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522457	1	48	0.0	-72.53	352.98	5.29	-67.24
CCOCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCCC(C)C1	REAL300012522458	0	51	0.0	-67.64	373.59	7.04	-60.60
CCOCC(C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCCC(C)C1	REAL300012522458	1	51	0.0	-67.43	373.08	7.06	-60.37
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@@H+]1CCCC(C)C1	REAL300012522459	0	57	0.0	-50.30	421.79	11.47	-38.83
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@H+]1CCCC(C)C1	REAL300012522459	1	57	0.0	-49.63	415.07	11.48	-38.15
CC1CCC[N@H+](CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012522460	0	47	0.0	-51.03	362.93	8.37	-42.66
CC1CCC[N@@H+](CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012522460	1	47	0.0	-55.19	374.87	8.58	-46.61
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012522461	0	54	0.0	-70.40	383.64	7.92	-62.48
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012522461	1	54	0.0	-70.58	390.41	7.90	-62.68
CC1CCC[N@H+](CCNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012522462	0	55	0.0	-68.02	400.36	8.50	-59.52
CC1CCC[N@@H+](CCNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012522462	1	55	0.0	-67.51	399.86	8.39	-59.12
CC1CCC[N@H+](CCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012522463	0	55	0.0	-75.66	406.17	11.63	-64.03
CC1CCC[N@@H+](CCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012522463	1	55	0.0	-76.15	404.72	11.82	-64.33
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012522464	0	49	0.0	-71.72	351.58	5.36	-66.36
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012522464	1	49	0.0	-71.71	351.54	5.35	-66.36
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@@H+]1CCCC(C)C1	REAL300012522465	0	54	0.0	-73.99	403.44	11.31	-62.68
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@H+]1CCCC(C)C1	REAL300012522465	1	54	0.0	-75.40	404.40	11.31	-64.09
COC1=CC=C(C(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012522466	0	52	0.0	-70.50	403.00	7.00	-63.50
COC1=CC=C(C(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012522466	1	52	0.0	-70.11	396.21	6.99	-63.12
CCC(COC)(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522467	0	51	0.0	-74.28	376.37	6.18	-68.10
CCC(COC)(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522467	1	51	0.0	-74.18	369.41	6.21	-67.97
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCCC(C)C1	REAL300012522468	0	54	0.0	-68.08	392.64	7.88	-60.20
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCCC(C)C1	REAL300012522468	1	54	0.0	-67.71	393.50	7.87	-59.84
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012522469	0	51	0.0	-74.59	383.35	3.85	-70.74
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012522469	1	51	0.0	-74.47	376.63	3.86	-70.61
COCCC(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522470	0	48	0.0	-69.25	370.16	4.69	-64.56
COCCC(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522470	1	48	0.0	-69.24	364.02	4.76	-64.48
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCCC(C)C1	REAL300012522471	0	53	0.0	-67.70	379.79	9.21	-58.49
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCCC(C)C1	REAL300012522471	1	53	0.0	-67.67	380.76	9.07	-58.60
CC1CCC[N@H+](CCNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012522472	0	44	0.0	-69.28	342.94	5.93	-63.35
CC1CCC[N@@H+](CCNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012522472	1	44	0.0	-64.20	347.10	6.15	-58.05
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+]1CCCC(C)C1	REAL300012522473	0	54	0.0	-77.57	387.76	10.04	-67.53
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+]1CCCC(C)C1	REAL300012522473	1	54	0.0	-75.07	381.65	9.76	-65.31
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@@H+]1CCCC(C)C1	REAL300012522474	0	54	0.0	-46.57	404.95	11.55	-35.02
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@H+]1CCCC(C)C1	REAL300012522474	1	54	0.0	-46.46	398.58	11.33	-35.13
CCC(NC(=O)NCC[N@@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012522475	0	54	0.0	-68.26	414.99	9.89	-58.37
CCC(NC(=O)NCC[N@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012522475	1	54	0.0	-68.26	408.23	9.91	-58.35
CCC(NC(=O)NCC[N@@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012522476	0	54	0.0	-71.15	398.18	9.34	-61.81
CCC(NC(=O)NCC[N@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012522476	1	54	0.0	-70.85	391.45	9.35	-61.50
COC1CCCC(C(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C1	REAL300012522477	0	58	0.0	-74.41	423.43	6.88	-67.53
COC1CCCC(C(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])C1	REAL300012522477	1	58	0.0	-71.64	418.84	7.05	-64.59
COC1(CC(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012522478	0	55	0.0	-69.03	405.08	6.93	-62.10
COC1(CC(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012522478	1	55	0.0	-71.12	400.99	6.99	-64.13
CC1CCC[N@H+](CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012522479	0	52	0.0	-53.61	373.33	7.35	-46.26
CC1CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012522479	1	52	0.0	-54.28	380.00	7.33	-46.95
CC1CCC[N@H+](CCNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012522480	0	54	0.0	-53.74	382.31	9.72	-44.02
CC1CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012522480	1	54	0.0	-54.15	388.97	9.72	-44.43
CC1CCC[N@@H+](CCNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)C1	REAL300012522481	0	54	0.0	-72.55	373.91	8.23	-64.32
CC1CCC[N@H+](CCNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)C1	REAL300012522481	1	54	0.0	-72.64	380.63	8.22	-64.42
COC1=CC=CC(C(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012522482	0	52	0.0	-72.95	402.95	6.97	-65.98
COC1=CC=CC(C(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012522482	1	52	0.0	-72.20	396.01	7.08	-65.12
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300012522483	0	48	0.0	-70.52	381.66	8.28	-62.24
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300012522483	1	48	0.0	-71.28	389.43	8.21	-63.07
CC1CCC[N@H+](CCNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012522484	0	47	0.0	-65.68	348.04	6.13	-59.55
CC1CCC[N@@H+](CCNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012522484	1	47	0.0	-65.64	348.05	6.12	-59.52
CC1CCC[N@H+](CCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012522485	0	49	0.0	-58.10	370.99	8.28	-49.82
CC1CCC[N@@H+](CCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012522485	1	49	0.0	-58.17	371.02	8.30	-49.87
CC1CCC[N@H+](CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012522486	0	45	0.0	-69.54	343.09	7.40	-62.14
CC1CCC[N@@H+](CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012522486	1	45	0.0	-70.11	344.49	7.31	-62.80
COC1=CC=CC([C@H](NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012522487	0	52	0.0	-72.29	402.38	7.01	-65.28
COC1=CC=CC([C@H](NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012522487	1	52	0.0	-72.19	396.00	7.08	-65.11
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC[N@@H+]2CCCC(C)C2)C1	REAL300012522488	0	54	0.0	-72.98	403.36	8.56	-64.42
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC[N@H+]2CCCC(C)C2)C1	REAL300012522488	1	54	0.0	-77.26	402.29	9.44	-67.82
COC1=CC=CC(CC(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012522489	0	55	0.0	-69.14	424.96	8.00	-61.14
COC1=CC=CC(CC(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012522489	1	55	0.0	-68.94	418.28	8.01	-60.93
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012522490	0	57	0.0	-73.58	388.03	8.72	-64.86
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012522490	1	57	0.0	-73.57	394.74	8.71	-64.86
CC1CCC[N@H+](CCNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012522491	0	54	0.0	-67.90	408.78	9.35	-58.55
CC1CCC[N@@H+](CCNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012522491	1	54	0.0	-67.97	415.61	9.34	-58.63
CC1CCC[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012522492	0	53	0.0	-74.39	402.77	9.16	-65.23
CC1CCC[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012522492	1	53	0.0	-66.04	409.49	9.14	-56.90
COC1CN(C(=O)NCC[N@@H+]2CCCC(C)C2)C(C)(C(=O)[O-])C1	REAL300012522493	0	52	0.0	-72.05	386.02	7.10	-64.95
COC1CN(C(=O)NCC[N@H+]2CCCC(C)C2)C(C)(C(=O)[O-])C1	REAL300012522493	1	52	0.0	-75.18	379.66	7.08	-68.10
CC1CCC[N@H+](CCNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012522494	0	55	0.0	-68.57	401.73	6.53	-62.04
CC1CCC[N@@H+](CCNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012522494	1	55	0.0	-69.25	408.72	6.44	-62.81
C=C(Cl)CC(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522495	0	45	0.0	-65.28	359.06	6.76	-58.52
C=C(Cl)CC(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522495	1	45	0.0	-64.95	365.54	6.80	-58.15
CC1CCC[N@H+](CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012522496	0	49	0.0	-82.88	351.45	8.96	-73.92
CC1CCC[N@@H+](CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012522496	1	49	0.0	-82.84	358.34	8.96	-73.88
CC1CCC[N@H+](CCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012522497	0	54	0.0	-68.55	398.45	8.89	-59.66
CC1CCC[N@@H+](CCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012522497	1	54	0.0	-68.58	405.29	8.88	-59.70
CC1CCC[N@H+](CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012522498	0	45	0.0	-68.89	342.30	7.71	-61.18
CC1CCC[N@@H+](CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012522498	1	45	0.0	-69.08	342.30	7.70	-61.38
CC1CCC[N@H+](CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012522499	0	45	0.0	-72.74	335.83	7.62	-65.12
CC1CCC[N@@H+](CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012522499	1	45	0.0	-72.97	335.85	7.64	-65.33
CC1CCC[N@H+](CCNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012522500	0	55	0.0	-70.33	401.85	6.51	-63.82
CC1CCC[N@@H+](CCNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012522500	1	55	0.0	-69.50	404.33	7.16	-62.34
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012522501	0	52	0.0	-68.40	377.70	5.64	-62.76
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012522501	1	52	0.0	-69.47	385.39	5.69	-63.78
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522502	0	48	0.0	-70.45	366.77	7.71	-62.74
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522502	1	48	0.0	-70.18	373.25	7.77	-62.41
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300012522503	0	51	0.0	-69.14	405.24	8.78	-60.36
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300012522503	1	51	0.0	-69.94	412.18	8.68	-61.26
CC1CCC[N@H+](CCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012522504	0	47	0.0	-69.43	375.51	5.84	-63.59
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012522504	1	47	0.0	-69.67	382.25	5.83	-63.84
CC(C)CCCC(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522505	0	56	0.0	-68.91	419.14	8.52	-60.39
CC(C)CCCC(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522505	1	56	0.0	-69.01	412.65	8.49	-60.52
CC1CCC[N@H+](CCNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012522506	0	54	0.0	-68.50	418.89	9.06	-59.44
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012522506	1	54	0.0	-68.64	425.62	9.04	-59.60
CC1CCC[N@H+](CCNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012522507	0	52	0.0	-67.44	385.27	6.46	-60.98
CC1CCC[N@@H+](CCNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012522507	1	52	0.0	-73.24	393.64	5.99	-67.25
CSCC(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522508	0	45	0.0	-65.95	360.13	6.07	-59.88
CSCC(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522508	1	45	0.0	-65.46	353.39	6.08	-59.38
CC1CCC[N@H+](CCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012522509	0	51	0.0	-68.97	395.43	8.73	-60.24
CC1CCC[N@@H+](CCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012522509	1	51	0.0	-68.65	401.92	8.77	-59.88
CCC(C)CC(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522510	0	53	0.0	-69.80	394.25	7.57	-62.23
CCC(C)CC(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522510	1	53	0.0	-69.13	387.28	7.69	-61.44
C=CCCCC(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522511	0	51	0.0	-69.34	386.40	7.75	-61.59
C=CCCCC(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522511	1	51	0.0	-69.61	393.13	7.73	-61.88
CC1CCC[N@H+](CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012522512	0	51	0.0	-68.26	395.14	8.79	-59.47
CC1CCC[N@@H+](CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012522512	1	51	0.0	-69.14	402.11	8.71	-60.43
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012522513	0	54	0.0	-74.10	407.58	9.87	-64.23
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012522513	1	54	0.0	-68.04	413.68	10.10	-57.94
CC1CCC[N@H+](CCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012522514	0	46	0.0	-76.54	340.85	8.77	-67.77
CC1CCC[N@@H+](CCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012522514	1	46	0.0	-77.04	340.96	8.80	-68.24
CC1CCC[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522515	0	51	0.0	-70.43	381.28	8.47	-61.96
CC1CCC[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522515	1	51	0.0	-70.41	381.27	8.47	-61.94
CC1CCC[N@H+](CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012522516	0	49	0.0	-80.77	350.91	9.11	-71.66
CC1CCC[N@@H+](CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012522516	1	49	0.0	-79.24	350.22	9.07	-70.17
CC1CCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012522517	0	44	0.0	-65.00	343.13	7.96	-57.04
CC1CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012522517	1	44	0.0	-65.19	349.84	7.94	-57.25
CC1CCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012522518	0	44	0.0	-65.00	343.13	7.96	-57.04
CC1CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012522518	1	44	0.0	-65.19	349.84	7.94	-57.25
CC1CCC[N@H+](CCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012522519	0	57	0.0	-55.45	416.85	5.93	-49.52
CC1CCC[N@@H+](CCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012522519	1	57	0.0	-55.58	423.60	5.91	-49.67
CC1CCC[N@H+](CCNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])C1	REAL300012522520	1	61	0.0	-55.04	442.04	5.80	-49.24
CC1CCC[N@@H+](CCNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])C1	REAL300012522520	1	61	0.0	-55.23	448.79	5.78	-49.45
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@H+]1CCCC(C)C1	REAL300012522521	0	52	0.0	-48.73	382.79	10.62	-38.11
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@@H+]1CCCC(C)C1	REAL300012522521	1	52	0.0	-52.35	391.05	10.36	-41.99
CC1CCC[N@H+](CCNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C1	REAL300012522522	0	55	0.0	-57.88	393.61	10.67	-47.21
CC1CCC[N@@H+](CCNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C1	REAL300012522522	1	55	0.0	-58.46	400.34	10.66	-47.80
CC1CCC[N@H+](CCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012522523	0	53	0.0	-69.91	393.12	8.81	-61.10
CC1CCC[N@@H+](CCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012522523	1	53	0.0	-69.70	393.25	8.84	-60.86
CC1CCC[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522524	0	48	0.0	-70.42	366.77	7.70	-62.72
CC1CCC[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522524	1	48	0.0	-70.17	373.25	7.77	-62.40
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012522525	0	51	0.0	-66.18	405.25	8.79	-57.39
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012522525	1	51	0.0	-66.83	412.24	8.70	-58.13
CC1CCC[N@H+](CCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012522526	0	53	0.0	-70.87	406.64	7.72	-63.15
CC1CCC[N@@H+](CCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012522526	1	53	0.0	-71.29	413.37	7.70	-63.59
CC1CCC[N@H+](CCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012522527	0	47	0.0	-71.94	375.33	5.71	-66.23
CC1CCC[N@@H+](CCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012522527	1	47	0.0	-67.02	382.52	5.62	-61.40
CC1CCC[N@H+](CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012522528	0	48	0.0	-66.45	401.77	7.45	-59.00
CC1CCC[N@@H+](CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012522528	1	48	0.0	-65.67	400.95	7.45	-58.22
CC1CCC[N@H+](CCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012522529	0	48	0.0	-85.30	359.88	5.11	-80.19
CC1CCC[N@@H+](CCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012522529	1	48	0.0	-85.05	359.87	5.12	-79.93
CC1CCC[N@H+](CCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012522530	0	49	0.0	-69.95	364.01	6.79	-63.16
CC1CCC[N@@H+](CCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012522530	1	49	0.0	-70.27	364.16	6.78	-63.49
CC1CCC[N@H+](CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522531	0	48	0.0	-70.25	366.74	7.71	-62.54
CC1CCC[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012522531	1	48	0.0	-70.70	373.45	7.70	-63.00
CC1CCC[N@H+](CCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012522532	0	51	0.0	-71.80	376.16	7.06	-64.74
CC1CCC[N@@H+](CCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012522532	1	51	0.0	-71.90	382.88	7.04	-64.86
CC1CCC[N@H+](CCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012522533	0	51	0.0	-53.34	364.87	9.02	-44.32
CC1CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012522533	1	51	0.0	-53.80	371.57	9.01	-44.79
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012522534	0	49	0.0	-77.99	368.98	3.51	-74.48
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012522534	1	49	0.0	-78.09	368.72	3.52	-74.57
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522535	0	57	0.0	-70.14	417.76	6.80	-63.34
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522535	1	57	0.0	-70.13	417.75	6.80	-63.33
CC1CCC(NC(=O)NCC[N@@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012522536	0	51	0.0	-72.23	373.38	7.30	-64.93
CC1CCC(NC(=O)NCC[N@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012522536	1	51	0.0	-72.27	365.91	7.39	-64.88
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012522537	0	54	0.0	-72.33	376.12	8.10	-64.23
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012522537	1	54	0.0	-72.45	382.89	8.09	-64.36
COCCC(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522538	0	48	0.0	-69.25	370.16	4.69	-64.56
COCCC(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522538	1	48	0.0	-69.24	364.02	4.76	-64.48
CC1CCC[N@H+](CCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522539	0	54	0.0	-69.67	399.61	10.70	-58.97
CC1CCC[N@@H+](CCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522539	1	54	0.0	-69.02	397.53	10.58	-58.44
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012522540	0	51	0.0	-73.98	374.91	8.04	-65.94
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012522540	1	51	0.0	-73.92	374.54	8.03	-65.89
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C1	REAL300012522541	0	58	0.0	-74.45	415.53	10.08	-64.37
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C1	REAL300012522541	1	58	0.0	-75.08	422.53	10.07	-65.01
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522542	0	57	0.0	-70.58	421.12	6.90	-63.68
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522542	1	57	0.0	-70.34	414.38	6.91	-63.43
CC1CCC[N@H+](CCNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012522543	0	56	0.0	-57.82	408.92	11.27	-46.55
CC1CCC[N@@H+](CCNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012522543	1	56	0.0	-57.82	408.95	11.28	-46.54
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012522544	0	49	0.0	-67.76	364.42	4.71	-63.05
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012522544	1	49	0.0	-70.81	363.85	4.64	-66.17
CC1CCC[N@H+](CCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012522545	0	49	0.0	-78.71	351.38	8.67	-70.04
CC1CCC[N@@H+](CCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012522545	1	49	0.0	-79.13	351.19	8.67	-70.46
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012522546	0	52	0.0	-77.71	398.86	7.76	-69.95
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012522546	1	52	0.0	-78.66	405.42	7.76	-70.90
CC1CCC[N@H+](CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012522547	0	47	0.0	-76.21	344.02	6.33	-69.88
CC1CCC[N@@H+](CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012522547	1	47	0.0	-76.33	350.29	6.43	-69.90
CC1CCC(C(=O)[O-])N(C(=O)NCC[N@@H+]2CCCC(C)C2)C1	REAL300012522548	0	51	0.0	-77.64	363.24	9.40	-68.24
CC1CCC(C(=O)[O-])N(C(=O)NCC[N@H+]2CCCC(C)C2)C1	REAL300012522548	1	51	0.0	-79.12	363.76	9.69	-69.43
CC(C1=CC=CC=C1)C(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522549	0	54	0.0	-68.87	410.85	8.98	-59.89
CC(C1=CC=CC=C1)C(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522549	1	54	0.0	-68.72	404.12	8.99	-59.73
CC1CCC[N@H+](CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012522550	0	55	0.0	-68.94	398.56	9.50	-59.44
CC1CCC[N@@H+](CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012522550	1	55	0.0	-69.89	410.01	8.77	-61.12
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012522551	0	61	0.0	-71.45	423.99	8.41	-63.04
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012522551	1	61	0.0	-71.18	423.97	8.50	-62.68
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012522552	0	54	0.0	-70.40	383.64	7.92	-62.48
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012522552	1	54	0.0	-70.58	390.41	7.90	-62.68
CC1CCC[N@H+](CCNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012522553	0	55	0.0	-72.80	404.78	6.81	-65.99
CC1CCC[N@@H+](CCNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012522553	1	55	0.0	-68.87	409.56	7.34	-61.53
CC1CCC[N@H+](CCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012522554	0	55	0.0	-47.24	383.59	9.36	-37.88
CC1CCC[N@@H+](CCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012522554	1	55	0.0	-47.32	383.10	9.34	-37.98
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012522555	0	55	0.0	-73.10	387.34	6.63	-66.47
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012522555	1	55	0.0	-73.11	387.36	6.63	-66.48
CC1CCC[N@H+](CCNC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300012522556	0	54	0.0	-70.90	419.85	10.20	-60.70
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300012522556	1	54	0.0	-71.04	433.64	9.97	-61.07
CC1=CC=CC2=C1CCN(C(=O)NCC[N@H+]1CCCC(C)C1)C2C(=O)[O-]	REAL300012522557	0	55	0.0	-84.18	401.18	11.15	-73.03
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CC1CCC[N@H+](CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012522558	0	49	0.0	-49.02	352.13	8.57	-40.45
CC1CCC[N@@H+](CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012522558	1	49	0.0	-48.70	352.07	8.57	-40.13
CC1CCC[N@H+](CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012522559	0	55	0.0	-68.94	398.56	9.50	-59.44
CC1CCC[N@@H+](CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012522559	1	55	0.0	-69.89	410.01	8.77	-61.12
CC1CCC[N@H+](CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012522560	0	51	0.0	-67.03	395.43	8.73	-58.30
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012522560	1	51	0.0	-67.28	402.11	8.71	-58.57
COC1CC(NC(=O)NCC[N@@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012522561	0	49	0.0	-69.23	369.91	5.20	-64.03
COC1CC(NC(=O)NCC[N@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012522561	1	49	0.0	-75.97	371.82	5.29	-70.68
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012522562	0	45	0.0	-65.70	351.14	6.61	-59.09
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012522562	1	45	0.0	-71.82	347.16	6.35	-65.47
CO[C@H]1C[C@](NC(=O)NCC[N@@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012522563	0	49	0.0	-69.29	369.93	5.20	-64.09
CO[C@H]1C[C@](NC(=O)NCC[N@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012522563	1	49	0.0	-70.21	363.68	5.61	-64.60
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012522564	0	48	0.0	-72.86	377.43	7.38	-65.48
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012522564	1	48	0.0	-71.76	375.28	7.39	-64.37
CCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+]1CCCC(C)C1	REAL300012522565	0	51	0.0	-75.43	368.96	9.25	-66.18
CCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+]1CCCC(C)C1	REAL300012522565	1	51	0.0	-77.34	362.70	9.36	-67.98
CC1CCC[N@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012522566	0	44	0.0	-62.77	345.69	6.36	-56.41
CC1CCC[N@@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012522566	1	44	0.0	-63.52	353.01	6.39	-57.13
CC1CCC[N@H+](CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012522567	0	52	0.0	-66.61	379.58	5.34	-61.27
CC1CCC[N@@H+](CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012522567	1	52	0.0	-71.01	392.20	5.69	-65.32
CC1CCC[N@H+](CCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012522568	0	48	0.0	-70.35	380.83	7.70	-62.65
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012522568	1	48	0.0	-68.07	387.68	7.69	-60.38
COCC(NC(=O)NCC[N@@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012522569	0	55	0.0	-69.34	414.48	7.69	-61.65
COCC(NC(=O)NCC[N@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012522569	1	55	0.0	-69.03	407.55	7.67	-61.36
CC1CCC[N@H+](CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012522570	0	49	0.0	-76.68	352.58	8.31	-68.37
CC1CCC[N@@H+](CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012522570	1	49	0.0	-76.46	352.82	8.32	-68.14
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@@H+]1CCCC(C)C1	REAL300012522571	0	54	0.0	-46.57	404.95	11.55	-35.02
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@H+]1CCCC(C)C1	REAL300012522571	1	54	0.0	-46.46	398.58	11.33	-35.13
CC1CCC[N@H+](CCNC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300012522572	0	55	0.0	-70.67	428.27	8.24	-62.43
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300012522572	1	55	0.0	-73.81	434.94	8.22	-65.59
CC1CCC[N@H+](CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012522573	0	57	0.0	-69.45	410.68	8.90	-60.55
CC1CCC[N@@H+](CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012522573	1	57	0.0	-70.20	417.65	8.82	-61.38
CC1CCC[N@H+](CCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522574	0	54	0.0	-69.78	411.76	9.49	-60.29
CC1CCC[N@@H+](CCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522574	1	54	0.0	-70.16	418.48	9.47	-60.69
CC1CCC[N@H+](CCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522575	0	54	0.0	-70.47	412.00	9.42	-61.05
CC1CCC[N@@H+](CCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522575	1	54	0.0	-70.69	418.72	9.42	-61.27
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012522576	0	55	0.0	-70.69	392.20	8.41	-62.28
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012522576	1	55	0.0	-71.86	400.05	8.46	-63.40
CC1CCC[N@H+](CCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012522577	0	57	0.0	-69.98	410.97	8.84	-61.14
CC1CCC[N@@H+](CCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012522577	1	57	0.0	-70.16	417.70	8.82	-61.34
CC1CCC[N@H+](CCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012522578	0	57	0.0	-69.74	410.92	8.84	-60.90
CC1CCC[N@@H+](CCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012522578	1	57	0.0	-70.24	417.69	8.82	-61.42
CC1CCC[N@H+](CCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012522579	0	55	0.0	-49.15	393.39	9.46	-39.69
CC1CCC[N@@H+](CCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012522579	1	55	0.0	-49.34	398.75	9.46	-39.88
CC1CCC[N@H+](CCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012522580	0	55	0.0	-77.14	389.05	9.47	-67.67
CC1CCC[N@@H+](CCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012522580	1	55	0.0	-77.17	395.55	9.43	-67.74
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300012522581	0	55	0.0	-74.09	430.88	8.32	-65.77
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300012522581	1	55	0.0	-74.74	437.82	8.23	-66.51
COC1=CC=C(CC(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012522582	0	55	0.0	-70.52	425.18	7.93	-62.59
COC1=CC=C(CC(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012522582	1	55	0.0	-71.89	418.52	7.96	-63.93
C=CCSCC(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522583	0	49	0.0	-66.41	388.34	7.51	-58.90
C=CCSCC(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522583	1	49	0.0	-66.85	395.29	7.41	-59.44
CC1CCC[N@H+](CCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012522584	0	52	0.0	-70.44	409.82	9.05	-61.39
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012522584	1	52	0.0	-70.64	416.50	9.04	-61.60
CC1CCC[N@H+](CCNC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300012522585	0	55	0.0	-73.84	421.09	8.86	-64.98
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300012522585	1	55	0.0	-83.64	435.15	8.68	-74.96
COC1(C(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012522586	0	52	0.0	-71.91	385.23	5.41	-66.50
COC1(C(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012522586	1	52	0.0	-71.78	377.86	5.36	-66.42
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012522587	0	54	0.0	-73.73	392.51	8.67	-65.06
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012522587	1	54	0.0	-73.39	392.51	8.68	-64.71
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012522588	0	55	0.0	-72.10	398.06	9.78	-62.32
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012522588	1	55	0.0	-72.33	404.79	9.75	-62.58
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012522589	0	48	0.0	-68.41	368.54	7.06	-61.35
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012522589	1	48	0.0	-68.61	368.28	7.07	-61.54
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300012522591	0	60	0.0	-69.58	442.73	10.11	-59.47
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300012522591	1	60	0.0	-69.78	449.47	10.10	-59.68
CC(C)C1=CC=C(C(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012522592	0	57	0.0	-70.17	433.73	9.63	-60.54
CC(C)C1=CC=C(C(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012522592	1	57	0.0	-69.46	426.75	9.72	-59.74
CC1CCC[N@H+](CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012522593	0	45	0.0	-72.74	335.83	7.62	-65.12
CC1CCC[N@@H+](CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012522593	1	45	0.0	-72.97	335.85	7.64	-65.33
CC1CCC[N@H+](CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012522594	0	47	0.0	-48.70	345.43	8.38	-40.32
CC1CCC[N@@H+](CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012522594	1	47	0.0	-49.25	346.75	8.25	-41.00
CC1CCC[N@H+](CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012522595	0	51	0.0	-75.73	371.00	8.47	-67.26
CC1CCC[N@@H+](CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012522595	1	51	0.0	-75.75	370.99	8.47	-67.28
CCOC1=CC=C(C(NC(=O)NCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012522596	0	55	0.0	-69.97	424.57	8.00	-61.97
CCOC1=CC=C(C(NC(=O)NCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012522596	1	55	0.0	-69.66	417.87	8.00	-61.66
CC1CCC[N@H+](CCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012522597	0	55	0.0	-78.85	391.83	10.50	-68.35
CC1CCC[N@@H+](CCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012522597	1	55	0.0	-76.82	384.26	10.18	-66.64
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012522598	0	55	0.0	-70.89	408.76	9.57	-61.32
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012522598	1	55	0.0	-69.88	415.79	9.77	-60.11
CC1CCC[N@H+](CCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522599	0	55	0.0	-74.45	409.18	8.76	-65.69
CC1CCC[N@@H+](CCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522599	1	55	0.0	-74.79	415.91	8.74	-66.05
CC1CCC[N@H+](CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012522600	0	51	0.0	-66.12	397.21	8.91	-57.21
CC1CCC[N@@H+](CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012522600	1	51	0.0	-65.62	403.12	8.90	-56.72
CC(C)CCC(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522601	0	53	0.0	-69.65	397.88	7.69	-61.96
CC(C)CCC(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522601	1	53	0.0	-68.68	390.91	7.76	-60.92
CC1CCC[N@H+](CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012522602	0	52	0.0	-48.90	377.12	8.99	-39.91
CC1CCC[N@@H+](CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012522602	1	52	0.0	-49.68	378.67	8.96	-40.72
CC1CCC[N@H+](CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012522603	0	52	0.0	-66.61	379.58	5.34	-61.27
CC1CCC[N@@H+](CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012522603	1	52	0.0	-71.01	392.20	5.69	-65.32
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+]2CCCC(C)C2)C1	REAL300012522604	0	49	0.0	-73.50	373.67	8.54	-64.96
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+]2CCCC(C)C2)C1	REAL300012522604	1	49	0.0	-72.89	372.61	8.72	-64.17
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012522605	0	52	0.0	-71.73	368.18	8.16	-63.57
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012522605	1	52	0.0	-71.80	375.33	8.21	-63.59
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012522606	0	49	0.0	-72.55	354.47	7.39	-65.16
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012522606	1	49	0.0	-74.43	359.68	7.62	-66.81
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012522607	0	52	0.0	-73.63	380.51	8.20	-65.43
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012522607	1	52	0.0	-73.78	380.38	8.22	-65.56
CC1CCC[N@H+](CCNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522608	0	54	0.0	-69.04	397.59	10.57	-58.47
CC1CCC[N@@H+](CCNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012522608	1	54	0.0	-69.75	399.63	10.61	-59.14
CC1CCC[N@H+](CCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012522609	0	58	0.0	-49.42	412.88	9.96	-39.46
CC1CCC[N@@H+](CCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012522609	1	58	0.0	-49.19	412.11	9.98	-39.21
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012522610	0	51	0.0	-70.52	366.78	7.16	-63.36
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012522610	1	51	0.0	-70.55	374.64	7.11	-63.44
CO[C@H](C)[C@H](NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522611	0	48	0.0	-70.67	367.32	4.86	-65.81
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CC1CCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012522612	0	51	0.0	-53.83	387.53	10.45	-43.38
CC1CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012522612	1	51	0.0	-54.51	394.22	10.43	-44.08
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300012522613	0	58	0.0	-70.28	440.71	11.19	-59.09
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300012522613	1	58	0.0	-70.94	447.65	11.09	-59.85
CC1CCC[N@H+](CCNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012522614	0	51	0.0	-49.47	371.60	8.29	-41.18
CC1CCC[N@@H+](CCNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012522614	1	51	0.0	-48.52	369.15	8.33	-40.19
CC1CCC[N@H+](CCNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012522615	0	52	0.0	-73.28	395.00	10.69	-62.59
CC1CCC[N@@H+](CCNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012522615	1	52	0.0	-73.24	395.08	10.72	-62.52
CC1CCC[N@H+](CCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012522616	0	48	0.0	-76.97	358.80	8.91	-68.06
CC1CCC[N@@H+](CCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012522616	1	48	0.0	-75.53	351.54	8.65	-66.88
CC1CCC[N@H+](CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012522617	0	45	0.0	-79.62	348.70	7.34	-72.28
CC1CCC[N@@H+](CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012522617	1	45	0.0	-75.81	345.95	7.73	-68.08
CC1CCC[N@H+](CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012522618	0	51	0.0	-67.03	395.43	8.73	-58.30
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012522618	1	51	0.0	-67.28	402.11	8.71	-58.57
CC1CCC[N@H+](CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012522619	0	48	0.0	-68.28	379.00	7.60	-60.68
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012522619	1	48	0.0	-70.09	386.58	7.55	-62.54
CC1CCC[N@H+](CCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012522620	0	48	0.0	-68.47	358.50	8.24	-60.23
CC1CCC[N@@H+](CCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012522620	1	48	0.0	-73.78	365.67	8.30	-65.48
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012522621	0	52	0.0	-73.38	400.41	8.37	-65.01
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012522621	1	52	0.0	-73.27	400.51	8.37	-64.90
CC1CCC[N@H+](CCNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012522622	0	56	0.0	-74.46	425.05	9.72	-64.74
CC1CCC[N@@H+](CCNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012522622	1	56	0.0	-74.01	417.59	10.01	-64.00
CC1CCC[N@H+](CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012522623	0	48	0.0	-68.28	379.00	7.60	-60.68
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012522623	1	48	0.0	-70.09	386.58	7.55	-62.54
CC1CCC[N@H+](CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012522624	0	52	0.0	-77.76	374.66	8.91	-68.85
CC1CCC[N@@H+](CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012522624	1	52	0.0	-77.81	374.55	8.91	-68.90
COCCCC(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522625	0	51	0.0	-68.35	392.25	5.52	-62.83
COCCCC(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522625	1	51	0.0	-68.15	385.52	5.53	-62.62
CCOCC(NC(=O)NCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522626	0	48	0.0	-71.26	371.03	4.84	-66.42
CCOCC(NC(=O)NCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012522626	1	48	0.0	-70.74	364.30	4.86	-65.88
CC1CCC[N@H+](CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012522627	0	53	0.0	-68.94	380.57	8.04	-60.90
CC1CCC[N@@H+](CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012522627	1	53	0.0	-69.27	387.29	8.03	-61.24
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012522628	0	52	0.0	-71.40	381.34	6.18	-65.22
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012522628	1	52	0.0	-72.75	387.81	5.77	-66.98
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300012522629	0	48	0.0	-69.09	388.04	8.33	-60.76
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300012522629	1	48	0.0	-69.47	394.75	8.30	-61.17
CC1CCC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012522630	0	52	0.0	-72.49	393.01	9.00	-63.49
CC1CCC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012522630	1	52	0.0	-72.26	392.96	8.95	-63.31
CC1CCC[N@H+](CCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012522631	0	49	0.0	-75.05	351.36	6.86	-68.19
CC1CCC[N@@H+](CCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012522631	1	49	0.0	-75.01	351.37	6.86	-68.15
CC1CCC[N@H+](CCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012522632	0	51	0.0	-69.96	379.06	8.52	-61.44
CC1CCC[N@@H+](CCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012522632	1	51	0.0	-70.21	378.61	8.50	-61.71
CC1CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012522633	0	62	0.0	-73.81	423.13	9.74	-64.07
CC1CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012522633	1	62	0.0	-72.31	421.51	9.74	-62.57
CC1CCC[N@H+](CCNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012522634	0	54	0.0	-71.00	414.10	9.07	-61.93
CC1CCC[N@@H+](CCNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012522634	1	54	0.0	-73.46	425.41	8.94	-64.52
CC1CCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012522635	0	48	0.0	-54.86	369.17	8.59	-46.27
CC1CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012522635	1	48	0.0	-55.21	375.92	8.57	-46.64
CC1CCC[N@H+](CCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012522636	0	59	0.0	-75.53	400.41	9.17	-66.36
CC1CCC[N@@H+](CCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012522636	1	59	0.0	-75.59	400.59	9.18	-66.41
CC1CCC[N@H+](CCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012522637	0	50	0.0	-66.22	400.76	7.28	-58.94
CC1CCC[N@@H+](CCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012522637	1	50	0.0	-70.58	407.33	7.35	-63.23
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+]2CCCC(C)C2)C1	REAL300012522638	0	52	0.0	-72.06	390.40	7.58	-64.48
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+]2CCCC(C)C2)C1	REAL300012522638	1	52	0.0	-72.49	391.57	7.34	-65.15
CC(C)C[C@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012522639	0	56	0.0	-74.27	411.09	8.28	-65.99
CC(C)C[C@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012522639	1	56	0.0	-74.65	411.08	8.28	-66.37
C=CCOCC(NC(=O)NCCC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012522640	0	55	0.0	-75.23	418.51	6.77	-68.46
C=CCOCC(NC(=O)NCCC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012522640	1	55	0.0	-75.30	418.99	6.77	-68.53
C=CC(C)C(NC(=O)NCCC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012522641	0	54	0.0	-74.72	397.18	7.89	-66.83
C=CC(C)C(NC(=O)NCCC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012522641	1	54	0.0	-74.30	397.18	7.90	-66.40
C[N@H+](CCCNC(=O)NC(C(=O)[O-])C1CCOCC1)C1CCCCC1	REAL300012522642	0	58	0.0	-74.28	420.45	7.05	-67.23
C[N@@H+](CCCNC(=O)NC(C(=O)[O-])C1CCOCC1)C1CCCCC1	REAL300012522642	1	58	0.0	-77.98	416.87	6.77	-71.21
C[N@H+](CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CCCCC1	REAL300012522643	0	54	0.0	-69.21	421.02	9.26	-59.95
C[N@@H+](CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CCCCC1	REAL300012522643	1	54	0.0	-69.75	421.22	9.17	-60.58
C[N@H+](CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CCCCC1	REAL300012522644	0	54	0.0	-69.61	431.15	9.63	-59.98
C[N@@H+](CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CCCCC1	REAL300012522644	1	54	0.0	-69.69	431.11	9.62	-60.07
COC1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C(C(=O)[O-])C1	REAL300012522645	0	58	0.0	-84.27	412.55	9.00	-75.27
COC1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C(C(=O)[O-])C1	REAL300012522645	1	58	0.0	-84.08	414.45	8.94	-75.14
C[N@H+](CCCNC(=O)NC(C(=O)[O-])C1CCCOC1)C1CCCCC1	REAL300012522646	0	58	0.0	-72.18	416.27	6.87	-65.31
C[N@@H+](CCCNC(=O)NC(C(=O)[O-])C1CCCOC1)C1CCCCC1	REAL300012522646	1	58	0.0	-73.48	416.85	6.80	-66.68
CC1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C(C(=O)[O-])C1	REAL300012522647	0	57	0.0	-83.44	396.28	10.26	-73.18
CC1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C(C(=O)[O-])C1	REAL300012522647	1	57	0.0	-83.26	396.28	10.24	-73.02
CC1=CC(C(NC(=O)NCCC[N@@H+](C)C2CCCCC2)C(=O)[O-])=CC=C1F	REAL300012522648	0	57	0.0	-72.17	435.03	9.83	-62.34
CC1=CC(C(NC(=O)NCCC[N@H+](C)C2CCCCC2)C(=O)[O-])=CC=C1F	REAL300012522648	1	57	0.0	-72.25	435.27	9.76	-62.49
C[N@H+](CCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1CCCCC1	REAL300012522649	0	59	0.0	-75.49	444.44	8.90	-66.59
C[N@@H+](CCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1CCCCC1	REAL300012522649	1	59	0.0	-74.89	443.85	8.92	-65.97
CC1=CC(C)=CC(C(NC(=O)NCCC[N@@H+](C)C2CCCCC2)C(=O)[O-])=C1	REAL300012522650	0	60	0.0	-76.19	451.10	10.47	-65.72
CC1=CC(C)=CC(C(NC(=O)NCCC[N@H+](C)C2CCCCC2)C(=O)[O-])=C1	REAL300012522650	1	60	0.0	-76.55	451.38	10.37	-66.18
CC1=CC=C(C(NC(=O)NCCC[N@@H+](C)C2CCCCC2)C(=O)[O-])C=C1C	REAL300012522651	0	60	0.0	-76.32	446.98	10.26	-66.06
CC1=CC=C(C(NC(=O)NCCC[N@H+](C)C2CCCCC2)C(=O)[O-])C=C1C	REAL300012522651	1	60	0.0	-75.70	446.33	10.28	-65.42
CC1=CC=CC(C(NC(=O)NCCC[N@@H+](C)C2CCCCC2)C(=O)[O-])=C1C	REAL300012522652	0	60	0.0	-75.77	441.41	10.17	-65.60
CC1=CC=CC(C(NC(=O)NCCC[N@H+](C)C2CCCCC2)C(=O)[O-])=C1C	REAL300012522652	1	60	0.0	-74.68	437.58	10.06	-64.62
COC1=CC=C(C(NC(=O)NCCC[N@H+](C)C2CCCCC2)C(=O)[O-])C=C1F	REAL300012522653	0	58	0.0	-72.53	443.63	8.45	-64.08
COC1=CC=C(C(NC(=O)NCCC[N@@H+](C)C2CCCCC2)C(=O)[O-])C=C1F	REAL300012522653	1	58	0.0	-73.16	444.27	8.43	-64.73
CCCN(CC(=O)[O-])C(=O)NCCC[N@H+](C)C1CCCCC1	REAL300012522654	0	53	0.0	-59.22	391.81	9.54	-49.68
CCCN(CC(=O)[O-])C(=O)NCCC[N@@H+](C)C1CCCCC1	REAL300012522654	1	53	0.0	-59.81	391.80	9.54	-50.27
CC(C(=O)[O-])N(C(=O)NCCC[N@H+](C)C1CCCCC1)C1CCC1	REAL300012522655	0	57	0.0	-61.57	404.86	9.95	-51.62
CC(C(=O)[O-])N(C(=O)NCCC[N@@H+](C)C1CCCCC1)C1CCC1	REAL300012522655	1	57	0.0	-62.57	404.40	9.95	-52.62
CCCN(C(=O)NCCC[N@H+](C)C1CCCCC1)C(COC)C(=O)[O-]	REAL300012522656	0	60	0.0	-77.50	433.79	10.54	-66.96
CCCN(C(=O)NCCC[N@@H+](C)C1CCCCC1)C(COC)C(=O)[O-]	REAL300012522656	1	60	0.0	-77.42	433.71	10.51	-66.91
CCCN(C(=O)NCCC[N@H+](C)C1CCCCC1)C(CC)C(=O)[O-]	REAL300012522657	0	59	0.0	-76.15	420.59	11.16	-64.99
CCCN(C(=O)NCCC[N@@H+](C)C1CCCCC1)C(CC)C(=O)[O-]	REAL300012522657	1	59	0.0	-75.75	419.90	11.16	-64.59
CC(C)C(NC(=O)NCCC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012522658	0	53	0.0	-74.66	384.48	7.30	-67.36
CC(C)C(NC(=O)NCCC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012522658	1	53	0.0	-74.28	384.49	7.30	-66.98
C[N@H+](CCCNC(=O)N1CCCCC1C(=O)[O-])C1CCCCC1	REAL300012522659	0	54	0.0	-84.32	382.46	10.17	-74.15
C[N@@H+](CCCNC(=O)N1CCCCC1C(=O)[O-])C1CCCCC1	REAL300012522659	1	54	0.0	-84.29	382.46	10.17	-74.12
C[N@H+](CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCCC1	REAL300012522660	0	54	0.0	-72.24	425.25	9.58	-62.66
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C[N@H+](CCCNC(=O)N1CCSCC1C(=O)[O-])C1CCCCC1	REAL300012522661	0	52	0.0	-81.45	382.29	10.01	-71.44
C[N@@H+](CCCNC(=O)N1CCSCC1C(=O)[O-])C1CCCCC1	REAL300012522661	1	52	0.0	-81.64	382.30	10.01	-71.63
C[N@H+](CCCNC(=O)NC1(C(=O)[O-])CCCCC1)C1CCCCC1	REAL300012522662	0	57	0.0	-77.87	401.89	9.21	-68.66
C[N@@H+](CCCNC(=O)NC1(C(=O)[O-])CCCCC1)C1CCCCC1	REAL300012522662	1	57	0.0	-77.90	401.90	9.18	-68.72
C[N@H+](CCCNC(=O)N1CCCC1C(=O)[O-])C1CCCCC1	REAL300012522663	0	51	0.0	-80.42	371.14	8.88	-71.54
C[N@@H+](CCCNC(=O)N1CCCC1C(=O)[O-])C1CCCCC1	REAL300012522663	1	51	0.0	-80.03	371.13	8.91	-71.12
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C[N@@H+](CCCNC(=O)NC(CCC#N)C(=O)[O-])C1CCCCC1	REAL300012522937	1	51	0.0	-74.58	392.39	7.50	-67.08
C[N@H+](CCCNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1CCCCC1	REAL300012522938	0	54	0.0	-60.89	405.35	9.69	-51.20
C[N@@H+](CCCNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1CCCCC1	REAL300012522938	1	54	0.0	-60.30	410.97	9.93	-50.37
C[N@H+](CCCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CCCCC1	REAL300012522939	0	65	0.0	-82.10	444.39	10.47	-71.63
C[N@@H+](CCCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CCCCC1	REAL300012522939	1	65	0.0	-82.23	444.40	10.47	-71.76
C[N@H+](CCCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1CCCCC1	REAL300012522940	0	56	0.0	-75.25	442.39	8.71	-66.54
C[N@@H+](CCCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1CCCCC1	REAL300012522940	1	56	0.0	-75.37	442.64	8.64	-66.73
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[N@H+](C)C2CCCCC2)C1	REAL300012522941	0	58	0.0	-77.05	425.43	8.93	-68.12
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1	REAL300012522941	1	58	0.0	-81.32	426.98	8.56	-72.76
CC(C)C[C@H](NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523244	0	56	0.0	-73.97	418.36	8.30	-65.67
C=CCOCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523245	0	55	0.0	-75.03	426.25	6.79	-68.24
C=CC(C)C(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523246	0	54	0.0	-74.66	405.22	7.87	-66.79
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012523247	0	58	0.0	-76.20	423.56	6.86	-69.34
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012523248	0	54	0.0	-68.84	427.87	9.22	-59.62
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012523249	0	54	0.0	-69.43	438.36	9.64	-59.79
COC1CCN(C(=O)NCCC[NH+]2CC(C)CC(C)C2)C(C(=O)[O-])C1	REAL300012523250	0	58	0.0	-82.90	421.82	8.93	-73.97
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012523251	0	58	0.0	-71.79	423.53	6.89	-64.90
CC1CCN(C(=O)NCCC[NH+]2CC(C)CC(C)C2)C(C(=O)[O-])C1	REAL300012523252	0	57	0.0	-83.43	410.66	10.81	-72.62
CC1=CC(C(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])=CC=C1F	REAL300012523253	0	57	0.0	-71.86	442.54	9.77	-62.09
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012523254	0	59	0.0	-74.60	451.10	8.94	-65.66
CC1=CC(C)=CC(C(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])=C1	REAL300012523255	0	60	0.0	-75.72	458.64	10.39	-65.33
CC1=CC=C(C(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])C=C1C	REAL300012523256	0	60	0.0	-75.97	454.19	10.28	-65.69
CC1=CC=CC(C(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])=C1C	REAL300012523257	0	60	0.0	-74.39	444.84	10.09	-64.30
COC1=CC=C(C(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])C=C1F	REAL300012523258	0	58	0.0	-72.92	451.49	8.45	-64.47
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523259	0	53	0.0	-59.60	399.07	9.57	-50.03
CC(C(=O)[O-])N(C(=O)NCCC[NH+]1CC(C)CC(C)C1)C1CCC1	REAL300012523260	0	57	0.0	-61.09	411.87	9.91	-51.18
CCCN(C(=O)NCCC[NH+]1CC(C)CC(C)C1)C(COC)C(=O)[O-]	REAL300012523261	0	60	0.0	-76.33	441.05	10.55	-65.78
CCCN(C(=O)NCCC[NH+]1CC(C)CC(C)C1)C(CC)C(=O)[O-]	REAL300012523262	0	59	0.0	-75.09	427.15	11.18	-63.91
CC(C)C(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523263	0	53	0.0	-73.99	396.67	7.58	-66.41
CC1CC(C)C[NH+](CCCNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012523264	0	54	0.0	-83.31	389.74	10.18	-73.13
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012523265	0	54	0.0	-71.56	432.50	9.60	-61.96
CC1CC(C)C[NH+](CCCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012523266	0	52	0.0	-80.07	389.31	9.93	-70.14
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012523267	0	57	0.0	-77.03	409.20	9.20	-67.83
CC1CC(C)C[NH+](CCCNC(=O)N2CCCC2C(=O)[O-])C1	REAL300012523268	0	51	0.0	-79.48	378.41	8.91	-70.57
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012523269	0	54	0.0	-77.40	394.08	8.07	-69.33
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012523270	0	60	0.0	-77.54	414.82	9.88	-67.66
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012523271	0	57	0.0	-74.76	437.82	10.08	-64.68
CC1CC(C)C[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012523272	0	57	0.0	-59.62	436.56	11.81	-47.81
CC1CC(C)C[NH+](CCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012523273	0	54	0.0	-74.89	415.83	9.07	-65.82
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012523274	0	54	0.0	-74.41	415.17	9.10	-65.31
CC(C)C(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523275	0	53	0.0	-73.99	396.67	7.58	-66.41
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012523276	0	57	0.0	-74.76	437.82	10.08	-64.68
CCC(C)C(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523277	0	56	0.0	-74.54	414.62	8.20	-66.34
CC1CC(C)C[NH+](CCCNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012523278	0	54	0.0	-83.31	389.74	10.18	-73.13
CCCC(C)(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523279	0	56	0.0	-73.26	405.28	8.12	-65.14
CC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523280	0	53	0.0	-60.42	387.69	9.09	-51.33
CC1CC(C)C[NH+](CCCNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012523281	0	51	0.0	-60.71	380.85	9.33	-51.38
C=CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523282	0	51	0.0	-59.32	390.38	9.37	-49.95
CC(C)CN(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523283	0	56	0.0	-58.93	413.48	9.87	-49.06
CC1CC(C)C[NH+](CCCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012523284	0	58	0.0	-82.90	427.38	12.05	-70.85
CC1CC(C)C[NH+](CCCNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012523285	0	54	0.0	-74.83	393.31	8.12	-66.71
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012523286	0	51	0.0	-73.00	407.45	8.16	-64.84
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012523287	0	57	0.0	-77.03	409.20	9.20	-67.83
CC1CC(C)C[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012523288	0	57	0.0	-57.41	453.29	12.33	-45.08
CC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523289	0	53	0.0	-60.42	387.69	9.09	-51.33
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523290	0	53	0.0	-59.60	399.07	9.57	-50.03
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523291	0	56	0.0	-74.52	410.90	7.96	-66.56
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012523292	0	54	0.0	-77.40	394.08	8.07	-69.33
CC1CC(C)C[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012523293	0	57	0.0	-57.54	442.97	11.88	-45.66
CCC(C)(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523294	0	53	0.0	-72.95	383.78	7.36	-65.59
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012523295	0	58	0.0	-75.97	433.77	10.25	-65.72
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012523296	0	54	0.0	-74.31	426.42	9.29	-65.02
CC1CC(C)C[NH+](CCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012523297	0	57	0.0	-75.23	423.59	9.85	-65.38
CCCCCCC(C)(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523298	0	65	0.0	-73.33	469.77	10.45	-62.88
CC1CC(C)C[NH+](CCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012523299	0	60	0.0	-72.83	446.62	11.93	-60.90
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012523300	0	54	0.0	-71.56	432.50	9.60	-61.96
CC1CC(C)C[NH+](CCCNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012523301	0	52	0.0	-79.80	380.91	7.51	-72.29
CC1CC(C)C[NH+](CCCNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012523302	0	60	0.0	-78.54	418.42	10.52	-68.02
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012523303	0	51	0.0	-72.72	386.60	7.48	-65.24
CC1CC(C)C[NH+](CCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012523304	0	60	0.0	-60.57	458.97	12.59	-47.98
CC1CC(C)C[NH+](CCCNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012523305	0	57	0.0	-73.60	426.93	10.95	-62.65
COCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523306	0	54	0.0	-60.16	408.95	7.99	-52.17
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012523307	0	58	0.0	-79.42	430.84	10.19	-69.23
CC1CC(C)C[NH+](CCCNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012523308	0	51	0.0	-79.19	371.97	8.56	-70.63
CC1CC(C)C[NH+](CCCNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012523309	0	54	0.0	-81.74	389.28	9.93	-71.81
CC1CC(C)C[NH+](CCCNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012523310	0	51	0.0	-79.57	378.40	8.92	-70.65
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012523311	0	51	0.0	-77.81	380.78	7.72	-70.09
C=CCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523312	0	51	0.0	-73.10	392.95	7.45	-65.65
CC1CC(C)C[NH+](CCCNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012523313	0	54	0.0	-79.35	395.47	9.46	-69.89
CC1CC(C)C[NH+](CCCNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012523314	0	57	0.0	-82.09	402.57	10.56	-71.53
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012523315	0	51	0.0	-72.72	386.60	7.48	-65.24
CCCCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523316	0	56	0.0	-73.51	422.64	8.55	-64.96
CC1CC(C)C[NH+](CCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012523317	0	60	0.0	-60.57	458.97	12.59	-47.98
CC1CC(C)C[NH+](CCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012523318	0	54	0.0	-79.41	395.56	9.44	-69.97
CC1CC(C)C[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012523319	0	57	0.0	-58.43	413.93	10.38	-48.05
COCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523320	0	51	0.0	-75.04	391.50	5.24	-69.80
CCCCCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523321	0	59	0.0	-73.45	444.13	9.33	-64.12
CCC1CCC(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)(C(=O)[O-])CC1	REAL300012523322	0	63	0.0	-76.73	448.23	10.46	-66.27
CC1CC(C)C[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012523323	0	58	0.0	-58.97	422.44	8.71	-50.26
CC1CC(C)C[NH+](CCCNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012523324	0	57	0.0	-79.65	405.10	9.81	-69.84
CC(C(=O)[O-])N(C(=O)NCCC[NH+]1CC(C)CC(C)C1)C1CC1	REAL300012523325	0	54	0.0	-62.54	395.99	9.52	-53.02
CCC(C(=O)[O-])N(C(=O)NCCC[NH+]1CC(C)CC(C)C1)C1CC1	REAL300012523326	0	57	0.0	-73.06	411.61	10.56	-62.50
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012523327	0	54	0.0	-76.34	428.50	9.53	-66.81
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012523328	0	54	0.0	-79.48	420.02	9.22	-70.26
CC1CC(C)C[NH+](CCCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012523329	0	58	0.0	-62.19	430.75	11.50	-50.69
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012523330	0	57	0.0	-78.45	452.79	10.27	-68.18
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012523331	0	63	0.0	-74.13	459.98	10.20	-63.93
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523332	0	60	0.0	-58.68	444.20	11.89	-46.79
CC1=CC=C(C(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])C=C1	REAL300012523333	0	57	0.0	-75.16	437.22	9.75	-65.41
CC1CC(C)C[NH+](CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012523334	0	50	0.0	-67.34	394.74	7.72	-59.62
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012523335	0	60	0.0	-76.10	461.56	11.40	-64.70
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012523336	0	55	0.0	-73.24	406.89	8.90	-64.34
COCC(C)(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523337	0	54	0.0	-77.38	402.02	6.65	-70.73
CCOCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523338	0	57	0.0	-71.61	421.22	8.37	-63.24
CC(C)CN(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523339	0	56	0.0	-58.93	413.48	9.87	-49.06
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523340	0	63	0.0	-57.08	464.63	13.16	-43.92
CC1CC(C)C[NH+](CCCNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012523341	0	51	0.0	-60.71	380.85	9.33	-51.38
CC1CC(C)C[NH+](CCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012523342	0	53	0.0	-59.51	417.20	9.95	-49.56
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012523343	0	52	0.0	-72.73	385.32	5.51	-67.22
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012523344	0	60	0.0	-74.88	432.75	9.28	-65.60
CC1CC(C)C[NH+](CCCNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012523345	0	61	0.0	-72.38	448.57	9.88	-62.50
CC1CC(C)C[NH+](CCCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012523346	0	61	0.0	-82.19	453.73	13.17	-69.02
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012523347	0	55	0.0	-76.28	400.59	6.71	-69.57
C=CCCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523348	0	54	0.0	-72.50	413.11	8.34	-64.16
CC1CC(C)C[NH+](CCCNC(=O)NC(CF)C(=O)[O-])C1	REAL300012523349	0	47	0.0	-62.10	361.26	6.02	-56.08
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523350	0	60	0.0	-51.16	446.70	12.80	-38.36
CCC(CC)(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523351	0	56	0.0	-74.18	400.45	8.27	-65.91
COC1=CC=C(C(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])C=C1	REAL300012523352	0	58	0.0	-74.79	445.26	8.36	-66.43
CCC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523353	0	56	0.0	-57.27	410.88	10.26	-47.01
CCC(COC)(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523354	0	57	0.0	-78.73	418.70	7.56	-71.17
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523355	0	60	0.0	-72.19	441.49	9.14	-63.05
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012523356	0	57	0.0	-78.36	425.74	5.20	-73.16
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012523357	0	54	0.0	-73.02	411.02	8.61	-64.41
COCCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523358	0	54	0.0	-73.86	413.31	6.07	-67.79
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523359	0	59	0.0	-71.15	427.92	10.33	-60.82
CC1CC(C)C[NH+](CCCNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012523360	0	50	0.0	-72.54	391.15	7.30	-65.24
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523361	0	60	0.0	-82.14	430.19	11.43	-70.71
CCCN(C(=O)NCCC[NH+]1CC(C)CC(C)C1)C(C)C(=O)[O-]	REAL300012523362	0	56	0.0	-70.18	409.30	9.65	-60.53
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523363	0	60	0.0	-52.61	447.27	12.92	-39.69
CCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012523364	0	60	0.0	-75.84	440.57	10.75	-65.09
COC1CCCC(C(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])C1	REAL300012523365	0	64	0.0	-78.56	465.16	8.28	-70.28
CC1CC(C)C[NH+](CCCNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012523366	0	50	0.0	-72.45	386.23	7.15	-65.30
COC1(CC(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])CCC1	REAL300012523367	0	61	0.0	-75.50	450.08	8.36	-67.14
CC1CC(C)C[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012523368	0	58	0.0	-58.97	422.44	8.71	-50.26
CC1CC(C)C[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012523369	0	60	0.0	-59.09	431.29	11.09	-48.00
CC1CC(C)C[NH+](CCCNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)C1	REAL300012523370	0	60	0.0	-77.20	422.98	9.60	-67.60
COC1=CC=CC(C(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])=C1	REAL300012523371	0	58	0.0	-76.82	444.67	8.39	-68.43
CC1CC(C)C[NH+](CCCNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012523372	0	53	0.0	-70.09	390.36	7.51	-62.58
CC1CC(C)C[NH+](CCCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012523373	0	55	0.0	-64.10	412.59	9.56	-54.54
CC1CC(C)C[NH+](CCCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012523374	0	51	0.0	-74.60	393.11	8.61	-65.99
COC1=CC=CC([C@H](NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])=C1	REAL300012523375	0	58	0.0	-77.29	445.34	8.36	-68.93
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC[NH+]2CC(C)CC(C)C2)C1	REAL300012523376	0	60	0.0	-81.64	444.44	10.78	-70.86
COC1=CC=CC(CC(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])=C1	REAL300012523377	0	61	0.0	-77.97	467.29	9.37	-68.60
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012523378	0	63	0.0	-78.25	437.11	10.09	-68.16
CC1CC(C)C[NH+](CCCNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012523379	0	52	0.0	-84.98	385.69	9.54	-75.44
COC1CN(C(=O)NCCC[NH+]2CC(C)CC(C)C2)C(C)(C(=O)[O-])C1	REAL300012523380	0	58	0.0	-76.42	428.32	8.50	-67.92
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012523381	0	61	0.0	-72.85	446.82	8.51	-64.34
CC1CC(C)C[NH+](CCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012523382	0	56	0.0	-74.86	410.44	8.11	-66.75
C=C(Cl)CC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523383	0	51	0.0	-74.28	408.90	8.06	-66.22
C=C(C)CC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523384	0	54	0.0	-73.63	413.49	8.20	-65.43
CC1CC(C)C[NH+](CCCNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012523385	0	55	0.0	-87.15	400.18	10.36	-76.79
CC1CC(C)C[NH+](CCCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012523386	0	60	0.0	-72.97	447.60	10.27	-62.70
CC1CC(C)C[NH+](CCCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012523387	0	51	0.0	-73.31	391.39	9.09	-64.22
CC1CC(C)C[NH+](CCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012523388	0	51	0.0	-76.29	378.20	9.01	-67.28
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CC(C)CC(C)C2)C1	REAL300012523389	0	52	0.0	-79.92	392.60	8.98	-70.94
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012523390	0	61	0.0	-73.27	446.65	8.54	-64.73
CC(C)C[C@H](NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523391	0	56	0.0	-73.97	418.36	8.30	-65.67
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012523392	0	58	0.0	-76.20	423.56	6.86	-69.34
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012523393	0	54	0.0	-74.41	415.17	9.10	-65.31
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012523394	0	54	0.0	-73.02	411.02	8.61	-64.41
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012523395	0	53	0.0	-72.28	424.60	7.19	-65.09
CC(C)CCCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523396	0	62	0.0	-72.75	460.87	9.85	-62.90
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012523397	0	58	0.0	-77.36	435.59	7.44	-69.92
CSCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523398	0	51	0.0	-70.34	402.43	7.44	-62.90
COC[C@H](NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523399	0	51	0.0	-74.59	391.04	5.24	-69.35
CC1CC(C)C[NH+](CCCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012523400	0	57	0.0	-73.15	444.52	10.08	-63.07
CCC(C)CC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523401	0	59	0.0	-73.89	436.57	8.96	-64.93
C=CCCCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523402	0	57	0.0	-72.35	434.61	9.12	-63.23
CC1CC(C)C[NH+](CCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012523403	0	57	0.0	-73.09	444.46	10.08	-63.01
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012523404	0	60	0.0	-79.05	456.54	11.23	-67.82
CC1CC(C)C[NH+](CCCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012523405	0	52	0.0	-80.07	389.31	9.93	-70.14
CC1CC(C)C[NH+](CCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012523406	0	57	0.0	-75.23	423.59	9.85	-65.38
CC1CC(C)C[NH+](CCCNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012523407	0	51	0.0	-79.19	371.97	8.56	-70.63
CCCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523408	0	53	0.0	-72.84	400.30	7.77	-65.07
CC(C)[C@@H](NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523409	0	53	0.0	-73.20	391.12	7.41	-65.79
CC1CC(C)C[NH+](CCCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012523410	0	55	0.0	-85.52	399.27	10.43	-75.09
CCN(C(=O)NCCC[NH+]1CC(C)CC(C)C1)C(C)(C)C(=O)[O-]	REAL300012523411	0	56	0.0	-76.13	404.36	9.78	-66.35
CCCN(C(=O)NCCC[NH+]1CC(C)CC(C)C1)C(C)C(=O)[O-]	REAL300012523412	0	56	0.0	-70.18	409.30	9.65	-60.53
CC1CC(C)C[NH+](CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012523413	0	50	0.0	-68.92	392.18	9.32	-59.60
CC1CC(C)C[NH+](CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012523414	0	50	0.0	-68.92	392.18	9.32	-59.60
CC1CC(C)C[NH+](CCCNC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012523415	0	53	0.0	-76.21	384.87	8.89	-67.32
CC1CC(C)C[NH+](CCCNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012523416	0	51	0.0	-79.57	378.40	8.92	-70.65
CC1CC(C)C[NH+](CCCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012523417	0	63	0.0	-60.29	465.93	7.29	-53.00
CC1CC(C)C[NH+](CCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012523418	0	52	0.0	-81.83	390.43	5.22	-76.61
CC1CC(C)C[NH+](CCCNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])C1	REAL300012523419	1	67	0.0	-59.47	485.90	6.93	-52.54
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523420	0	58	0.0	-56.50	434.25	11.84	-44.66
CC1CC(C)C[NH+](CCCNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C1	REAL300012523421	0	61	0.0	-64.87	442.29	12.06	-52.81
CCC[C@@H](NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523422	0	53	0.0	-73.46	401.16	7.76	-65.70
CC1CC(C)C[NH+](CCCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012523423	0	59	0.0	-73.74	435.50	10.20	-63.54
CC1CC(C)C[NH+](CCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012523424	0	54	0.0	-74.89	415.83	9.07	-65.82
CC1CC(C)C[NH+](CCCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012523425	0	59	0.0	-74.92	455.68	9.08	-65.84
C=CCCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523426	0	54	0.0	-72.50	413.11	8.34	-64.16
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012523427	0	53	0.0	-76.21	424.34	7.08	-69.13
CC1CC(C)C[NH+](CCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012523428	0	54	0.0	-70.16	444.12	8.82	-61.34
CC1CC(C)C[NH+](CCCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012523429	0	54	0.0	-89.68	408.91	6.47	-83.21
CC1CC(C)C[NH+](CCCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012523430	0	55	0.0	-74.49	406.68	8.16	-66.33
CC1CC(C)C[NH+](CCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012523431	0	54	0.0	-78.38	388.78	9.47	-68.91
CC(C)[C@H](NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523432	0	53	0.0	-72.05	393.85	7.54	-64.51
CC1CC(C)C[NH+](CCCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012523433	0	54	0.0	-74.25	415.21	9.10	-65.15
CC1CC(C)C[NH+](CCCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012523434	0	57	0.0	-76.39	425.27	8.40	-67.99
CCC[C@H](NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523435	0	53	0.0	-72.72	400.34	7.78	-64.94
CCN(C(=O)NCCC[NH+]1CC(C)CC(C)C1)C(C)C(=O)[O-]	REAL300012523436	0	53	0.0	-70.03	387.34	8.84	-61.19
CC1CC(C)C[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012523437	0	57	0.0	-58.43	413.93	10.38	-48.05
CC(CN(C)C(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523438	0	53	0.0	-74.34	389.99	8.47	-65.87
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523439	0	56	0.0	-74.52	410.90	7.96	-66.56
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523440	0	53	0.0	-70.91	390.10	8.99	-61.92
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012523441	0	55	0.0	-82.74	411.32	4.90	-77.84
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523442	0	63	0.0	-75.79	463.15	8.31	-67.48
CC1CCC(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)(C(=O)[O-])C1	REAL300012523443	0	57	0.0	-77.24	415.75	8.74	-68.50
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012523444	0	60	0.0	-77.83	423.59	9.35	-68.48
COCCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523445	0	54	0.0	-73.86	413.31	6.07	-67.79
CC1CC(C)C[NH+](CCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012523446	0	60	0.0	-72.83	446.62	11.93	-60.90
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012523447	0	57	0.0	-78.44	417.21	9.43	-69.01
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012523448	0	54	0.0	-75.06	401.10	8.34	-66.72
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523449	0	63	0.0	-75.63	464.00	8.23	-67.40
CC1CC(C)C[NH+](CCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012523450	0	52	0.0	-85.33	389.11	5.39	-79.94
CC1CC(C)C[NH+](CCCNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012523451	0	62	0.0	-63.39	458.00	12.64	-50.75
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012523452	0	55	0.0	-74.41	406.76	5.98	-68.43
CC1CC(C)C[NH+](CCCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012523453	0	55	0.0	-82.72	393.61	10.05	-72.67
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012523454	0	58	0.0	-81.96	447.49	9.21	-72.75
CC1CC(C)C[NH+](CCCNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012523455	0	53	0.0	-80.76	393.04	7.73	-73.03
CC1CCC(C(=O)[O-])N(C(=O)NCCC[NH+]2CC(C)CC(C)C2)C1	REAL300012523456	0	57	0.0	-82.72	410.58	10.76	-71.96
CC(C1=CC=CC=C1)C(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523457	0	60	0.0	-73.39	453.24	10.42	-62.97
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012523458	0	61	0.0	-73.59	447.86	10.80	-62.79
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012523459	0	54	0.0	-73.72	399.30	7.96	-65.76
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012523460	0	67	0.0	-75.82	473.08	9.77	-66.05
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012523461	0	60	0.0	-74.88	432.75	9.28	-65.60
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012523462	0	54	0.0	-73.72	399.30	7.96	-65.76
CC1CCN(C(=O)NCCC[NH+]2CC(C)CC(C)C2)C1C(=O)[O-]	REAL300012523463	0	54	0.0	-80.28	394.59	9.07	-71.21
C=CCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523464	0	51	0.0	-73.10	392.95	7.45	-65.65
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012523465	0	61	0.0	-72.55	451.65	8.80	-63.75
CC1CC(C)C[NH+](CCCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012523466	0	61	0.0	-50.45	429.55	10.82	-39.63
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012523467	0	61	0.0	-77.17	429.69	8.02	-69.15
CC1=CC=CC2=C1CCN(C(=O)NCCC[NH+]1CC(C)CC(C)C1)C2C(=O)[O-]	REAL300012523468	0	61	0.0	-64.15	448.18	12.04	-52.11
CC1CC(C)C[NH+](CCCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012523469	0	55	0.0	-55.60	401.44	9.93	-45.67
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012523470	0	61	0.0	-73.59	447.86	10.80	-62.79
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012523471	0	57	0.0	-76.24	444.24	10.14	-66.10
COC1CC(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)(C(=O)[O-])C1	REAL300012523472	0	55	0.0	-74.01	412.38	6.58	-67.43
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012523473	0	51	0.0	-76.11	389.21	7.74	-68.37
CO[C@H]1C[C@](NC(=O)NCCC[NH+]2CC(C)CC(C)C2)(C(=O)[O-])C1	REAL300012523474	0	55	0.0	-75.44	413.07	6.96	-68.48
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012523475	0	54	0.0	-76.33	419.78	8.75	-67.58
CCC1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523476	0	57	0.0	-79.91	411.30	10.61	-69.30
CC1CC(C)C[NH+](CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012523477	0	50	0.0	-67.34	394.74	7.72	-59.62
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012523478	0	58	0.0	-71.03	428.84	6.74	-64.29
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012523479	0	49	0.0	-71.78	371.60	4.75	-67.03
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012523480	0	54	0.0	-74.25	429.10	9.09	-65.16
COCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012523481	0	61	0.0	-74.20	456.78	9.07	-65.13
CC(C)C(C)(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523482	0	56	0.0	-74.04	400.51	8.05	-65.99
CC1CC(C)C[NH+](CCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012523483	0	52	0.0	-83.86	386.09	10.06	-73.80
CC1CC(C)C[NH+](CCCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012523484	0	55	0.0	-80.64	394.92	9.67	-70.97
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523485	0	60	0.0	-52.61	447.27	12.92	-39.69
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012523486	0	63	0.0	-74.13	459.98	10.20	-63.93
CC1CC(C)C[NH+](CCCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012523487	0	60	0.0	-74.49	461.08	10.78	-63.71
CC1CC(C)C[NH+](CCCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012523488	0	60	0.0	-74.07	460.82	10.85	-63.22
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012523489	0	61	0.0	-76.19	441.96	9.64	-66.55
CC1CC(C)C[NH+](CCCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012523490	0	63	0.0	-74.12	459.98	10.21	-63.91
CC1CC(C)C[NH+](CCCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012523491	0	63	0.0	-74.31	459.99	10.21	-64.10
CC1CC(C)C[NH+](CCCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012523492	0	61	0.0	-55.35	440.28	10.88	-44.47
CC1CC(C)C[NH+](CCCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012523493	0	61	0.0	-81.76	435.89	10.68	-71.08
COC1=CC=C(CC(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])C=C1	REAL300012523494	0	61	0.0	-74.03	466.67	9.32	-64.71
C=CCSCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523495	0	55	0.0	-71.07	437.38	8.87	-62.20
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012523496	0	58	0.0	-74.35	458.82	10.41	-63.94
CCC(C(=O)[O-])N(CC)C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523497	0	56	0.0	-75.41	405.64	10.45	-64.96
COC1(C(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])CCC1	REAL300012523498	0	58	0.0	-70.41	427.28	6.66	-63.75
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012523499	0	60	0.0	-77.75	441.58	10.04	-67.71
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012523500	0	61	0.0	-77.38	447.13	11.13	-66.25
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012523501	0	54	0.0	-73.52	414.74	8.61	-64.91
CC(C)C1=CC=C(C(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])C=C1	REAL300012523503	0	63	0.0	-74.07	475.81	11.08	-62.99
CC1CC(C)C[NH+](CCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012523504	0	51	0.0	-76.29	378.20	9.01	-67.28
CC1CC(C)C[NH+](CCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012523505	0	53	0.0	-55.45	394.48	9.73	-45.72
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012523506	0	57	0.0	-81.53	414.58	9.56	-71.97
CCOC1=CC=C(C(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])C=C1	REAL300012523507	0	61	0.0	-74.45	467.16	9.29	-65.16
CC1CC(C)C[NH+](CCCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012523508	0	61	0.0	-82.77	435.06	11.76	-71.01
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012523509	0	61	0.0	-75.21	457.28	11.53	-63.68
CC1CC(C)C[NH+](CCCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012523510	0	61	0.0	-79.19	458.23	10.12	-69.07
CC1CC(C)C[NH+](CCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012523511	0	57	0.0	-77.00	451.23	10.01	-66.99
CC(C)CCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523512	0	59	0.0	-73.66	440.20	9.07	-64.59
CC1CC(C)C[NH+](CCCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012523513	0	58	0.0	-55.24	425.29	10.40	-44.84
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012523514	0	58	0.0	-71.03	428.84	6.74	-64.29
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CC(C)CC(C)C2)C1	REAL300012523515	0	55	0.0	-77.71	421.68	10.10	-67.61
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012523516	0	58	0.0	-76.52	417.73	9.59	-66.93
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012523517	0	55	0.0	-78.73	402.13	8.94	-69.79
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012523518	0	58	0.0	-76.84	423.43	9.33	-67.51
CC1CC(C)C[NH+](CCCNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012523519	0	60	0.0	-72.90	446.68	11.93	-60.97
CC1CC(C)C[NH+](CCCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012523520	0	64	0.0	-55.04	454.34	11.38	-43.66
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012523521	0	57	0.0	-74.09	421.44	8.72	-65.37
CO[C@H](C)[C@H](NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523522	0	54	0.0	-74.25	409.17	6.24	-68.01
CC1[C@@H](C)[C@@]1(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523523	0	54	0.0	-79.95	402.69	8.74	-71.21
CC1CC(C)C[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012523524	0	57	0.0	-59.62	436.56	11.81	-47.81
CC1CC(C)C[NH+](CCCNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012523525	0	57	0.0	-55.27	418.27	9.71	-45.56
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012523526	0	54	0.0	-79.88	400.59	10.01	-69.87
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012523527	0	51	0.0	-82.90	390.11	9.05	-73.85
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012523528	0	57	0.0	-76.24	444.24	10.14	-66.10
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012523529	0	54	0.0	-73.18	428.67	9.01	-64.17
CC1CC(C)C[NH+](CCCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012523530	0	54	0.0	-72.52	407.62	9.58	-62.94
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012523531	0	58	0.0	-77.73	442.82	9.75	-67.98
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012523532	0	54	0.0	-73.18	428.67	9.01	-64.17
CC1CC(C)C[NH+](CCCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012523533	0	58	0.0	-82.00	417.30	10.05	-71.95
COCCCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523534	0	57	0.0	-73.03	434.81	6.84	-66.19
CCCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300012523535	0	56	0.0	-70.72	411.52	9.92	-60.80
CCOCC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012523536	0	54	0.0	-75.36	413.35	6.22	-69.14
CC1CC(C)C[NH+](CCCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012523537	0	59	0.0	-74.10	430.47	9.38	-64.72
CC1CC(C)C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012523538	0	58	0.0	-75.95	430.43	7.54	-68.41
CC1CC(C)C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012523539	0	58	0.0	-75.97	433.77	10.25	-65.72
CC1CC(C)C[NH+](CCCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012523540	0	55	0.0	-81.64	401.08	8.48	-73.16
CC1CC(C)C[NH+](CCCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012523541	0	57	0.0	-73.15	421.41	9.90	-63.25
CC1CC(C)C[NH+](CCCNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012523542	0	51	0.0	-74.34	399.65	7.51	-66.83
CC1CC(C)C[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012523543	0	54	0.0	-60.58	418.23	9.95	-50.63
CC1CC(C)C[NH+](CCCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012523544	0	65	0.0	-82.27	451.37	10.77	-71.50
CC1CC(C)C[NH+](CCCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012523545	0	56	0.0	-74.45	449.66	8.73	-65.72
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CC(C)CC(C)C2)C1	REAL300012523546	0	58	0.0	-79.40	427.53	8.59	-70.81
CC(C)C[C@H](NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523547	0	54	0.0	-76.95	414.05	9.31	-67.64
CC(C)C[C@H](NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523547	1	54	0.0	-76.93	414.04	9.31	-67.62
C=CCOCC(NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523548	0	53	0.0	-78.81	422.79	7.75	-71.06
C=CCOCC(NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523548	1	53	0.0	-79.35	422.65	7.79	-71.56
C=CC(C)C(NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523549	0	52	0.0	-75.22	405.00	9.05	-66.17
C=CC(C)C(NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523549	1	52	0.0	-78.62	401.74	8.83	-69.79
O=C([O-])C(NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C1CCOCC1	REAL300012523550	0	56	0.0	-80.07	420.09	7.81	-72.26
O=C([O-])C(NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C1CCOCC1	REAL300012523550	1	56	0.0	-77.21	424.27	8.02	-69.19
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C[C@]1(C(=O)[O-])CCCN1C(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012523725	0	52	0.0	-82.81	392.04	10.42	-72.39
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CCC[C@H](NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523730	0	51	0.0	-76.59	396.83	8.74	-67.85
CCC[C@H](NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523730	1	51	0.0	-76.57	396.84	8.73	-67.84
CCN(C(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012523731	0	51	0.0	-73.98	383.37	9.69	-64.29
CCN(C(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012523731	1	51	0.0	-73.89	383.37	9.69	-64.20
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CC(CN(C)C(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523733	0	51	0.0	-78.37	386.52	9.42	-68.95
CC(CN(C)C(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523733	1	51	0.0	-82.14	388.45	9.71	-72.43
CC[C@H](C)[C@H](NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523734	0	54	0.0	-78.25	407.41	8.91	-69.34
CC[C@H](C)[C@H](NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523734	1	54	0.0	-78.17	407.41	8.91	-69.26
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012523735	0	51	0.0	-74.60	386.55	10.10	-64.50
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012523735	1	51	0.0	-74.94	386.59	9.94	-65.00
O=C([O-])C1(NC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)CC(CO)C1	REAL300012523736	0	53	0.0	-81.54	409.57	5.96	-75.58
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C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523737	0	61	0.0	-79.78	459.65	9.26	-70.52
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523737	1	61	0.0	-79.70	459.64	9.26	-70.44
CC1CCC(NC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012523738	0	55	0.0	-80.35	411.34	9.66	-70.69
CC1CCC(NC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012523738	1	55	0.0	-80.37	411.45	9.63	-70.74
CC1(C)CCCC1(NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523739	0	58	0.0	-80.88	421.72	10.42	-70.46
CC1(C)CCCC1(NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523739	1	58	0.0	-80.75	421.75	10.40	-70.35
COCCC(NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523740	0	52	0.0	-77.57	409.85	7.01	-70.56
COCCC(NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523740	1	52	0.0	-77.08	409.59	7.08	-70.00
CN(C(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012523741	0	58	0.0	-76.69	443.16	12.89	-63.80
CN(C(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012523741	1	58	0.0	-76.73	443.62	13.00	-63.73
CC1(C)CC(NC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012523742	0	55	0.0	-82.12	413.53	10.35	-71.77
CC1(C)CC(NC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012523742	1	55	0.0	-82.10	413.73	10.38	-71.72
CC1(C(NC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])CC1	REAL300012523743	0	52	0.0	-77.93	404.90	9.08	-68.85
CC1(C(NC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])CC1	REAL300012523743	1	52	0.0	-79.84	399.77	9.31	-70.53
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523744	0	61	0.0	-78.67	460.06	9.23	-69.44
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523744	1	61	0.0	-79.57	460.21	9.17	-70.40
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012523745	0	50	0.0	-89.29	385.60	6.35	-82.94
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CC1CCC(C(=O)[O-])N(C(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300012523749	0	55	0.0	-86.14	407.28	11.75	-74.39
CC1CCC(C(=O)[O-])N(C(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300012523749	1	55	0.0	-86.06	407.28	11.75	-74.31
CC(C1=CC=CC=C1)C(NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523750	0	58	0.0	-77.29	449.74	11.36	-65.93
CC(C1=CC=CC=C1)C(NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523750	1	58	0.0	-78.75	441.74	11.02	-67.73
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CC1CCN(C(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)C1C(=O)[O-]	REAL300012523755	0	52	0.0	-84.03	395.55	10.45	-73.58
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CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012523811	0	52	0.0	-76.34	404.05	10.55	-65.79
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012523811	1	52	0.0	-76.44	404.02	10.54	-65.90
O=C([O-])C(CC1=CSC=C1)NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012523812	0	52	0.0	-77.43	425.50	9.89	-67.54
O=C([O-])C(CC1=CSC=C1)NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012523812	1	52	0.0	-76.68	424.59	9.92	-66.76
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012523813	0	56	0.0	-85.57	414.12	11.05	-74.52
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012523813	1	56	0.0	-86.64	409.34	11.54	-75.10
COCCCC(NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523814	0	55	0.0	-76.22	431.10	7.85	-68.37
COCCCC(NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523814	1	55	0.0	-76.72	431.33	7.79	-68.93
CCCC(C(=O)[O-])N(C)C(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012523815	0	54	0.0	-75.07	408.09	10.71	-64.36
CCCC(C(=O)[O-])N(C)C(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012523815	1	54	0.0	-74.22	408.64	10.76	-63.46
CCOCC(NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523816	0	52	0.0	-79.16	409.88	7.17	-71.99
CCOCC(NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523816	1	52	0.0	-78.90	409.74	7.21	-71.69
CC(C)(C)CC(NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523817	0	57	0.0	-77.48	426.76	10.40	-67.08
CC(C)(C)CC(NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523817	1	57	0.0	-77.96	427.02	10.35	-67.61
O=C([O-])C(NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C1CCCCO1	REAL300012523818	0	56	0.0	-80.30	427.41	8.51	-71.79
O=C([O-])C(NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C1CCCCO1	REAL300012523818	1	56	0.0	-80.22	427.41	8.51	-71.71
O=C([O-])C1(NC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)CC2=CC=CC=C2C1	REAL300012523819	0	56	0.0	-80.49	431.80	11.28	-69.21
O=C([O-])C1(NC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)CC2=CC=CC=C2C1	REAL300012523819	1	56	0.0	-79.64	430.28	11.21	-68.43
C[C@H]1OCCN(C(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)[C@@H]1C(=O)[O-]	REAL300012523820	0	53	0.0	-85.01	397.60	9.42	-75.59
C[C@H]1OCCN(C(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)[C@@H]1C(=O)[O-]	REAL300012523820	1	53	0.0	-83.34	396.96	9.18	-74.16
N#CCCC(NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523821	0	49	0.0	-78.40	396.78	8.52	-69.88
N#CCCC(NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012523821	1	49	0.0	-78.81	397.02	8.45	-70.36
O=C([O-])CN(CC1=CC=CO1)C(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012523822	0	52	0.0	-63.98	414.76	10.91	-53.07
O=C([O-])CN(CC1=CC=CO1)C(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012523822	1	52	0.0	-64.54	414.76	10.91	-53.63
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300012523823	0	48	0.0	-73.56	367.20	9.01	-64.55
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300012523823	1	48	0.0	-74.19	366.12	8.95	-65.24
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300012523824	0	56	0.0	-80.08	429.26	9.91	-70.17
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300012523824	1	56	0.0	-83.42	430.06	9.83	-73.59
O=C([O-])CNC(=O)NCCC[NH+]1CCN(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300012523825	0	50	0.0	-73.08	402.86	5.88	-67.20
CC(C)C[C@H](NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523826	0	62	0.0	-73.57	467.17	8.07	-65.50
CC(C)C[C@H](NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523826	1	62	0.0	-75.38	455.33	7.47	-67.91
CC(C)C[C@H](NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523826	1	62	0.0	-82.16	468.75	8.58	-73.58
CC(C)C[C@H](NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523826	1	62	0.0	-82.78	460.31	7.99	-74.79
C=CC(C)C(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523827	0	60	0.0	-74.72	453.26	7.69	-67.03
C=CC(C)C(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523827	1	60	0.0	-74.95	449.00	7.32	-67.63
C=CC(C)C(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523827	1	60	0.0	-80.68	447.98	7.67	-73.01
C=CC(C)C(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523827	1	60	0.0	-84.24	448.67	7.55	-76.69
CCCN(CC(=O)[O-])C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523828	0	59	0.0	-58.97	447.90	9.34	-49.63
CCCN(CC(=O)[O-])C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523828	1	59	0.0	-59.51	436.89	8.72	-50.79
CCCN(CC(=O)[O-])C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1	REAL300012523828	1	59	0.0	-65.20	449.31	9.67	-55.53
CCCN(CC(=O)[O-])C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1	REAL300012523828	1	59	0.0	-69.50	441.87	9.25	-60.25
CC(C)C(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523829	0	59	0.0	-73.66	445.51	7.35	-66.31
CC(C)C(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523829	1	59	0.0	-76.13	434.50	6.74	-69.39
CC(C)C(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523829	1	59	0.0	-82.76	434.91	7.25	-75.51
CC(C)C(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523829	1	59	0.0	-81.10	434.55	7.02	-74.08
CN1CC[N@H+](CCCNC(=O)N2CCCCC2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523830	0	60	0.0	-82.58	437.95	9.67	-72.91
CN1CC[N@@H+](CCCNC(=O)N2CCCCC2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523830	1	60	0.0	-83.80	438.72	9.90	-73.90
C[N@@H+]1CCN(CCCNC(=O)N2CCCCC2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523830	1	60	0.0	-94.19	432.53	9.86	-84.33
C[N@H+]1CCN(CCCNC(=O)N2CCCCC2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523830	1	60	0.0	-92.95	440.97	10.44	-82.51
CN1CC[N@H+](CCCNC(=O)N2CCCC2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523831	0	57	0.0	-82.17	416.23	8.07	-74.10
CN1CC[N@@H+](CCCNC(=O)N2CCCC2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523831	1	57	0.0	-79.49	427.21	8.69	-70.80
C[N@@H+]1CCN(CCCNC(=O)N2CCCC2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523831	1	57	0.0	-89.99	421.18	8.60	-81.39
C[N@H+]1CCN(CCCNC(=O)N2CCCC2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523831	1	57	0.0	-89.29	428.63	9.02	-80.27
CN1CC[N@H+](CCCNC(=O)NC2(C(=O)[O-])CCCC2)C(C2=CC=CC=C2)C1	REAL300012523832	0	60	0.0	-79.50	432.43	7.29	-72.21
CN1CC[N@@H+](CCCNC(=O)NC2(C(=O)[O-])CCCC2)C(C2=CC=CC=C2)C1	REAL300012523832	1	60	0.0	-78.57	442.92	7.87	-70.70
C[N@@H+]1CCN(CCCNC(=O)NC2(C(=O)[O-])CCCC2)C(C2=CC=CC=C2)C1	REAL300012523832	1	60	0.0	-87.18	444.95	8.22	-78.96
C[N@H+]1CCN(CCCNC(=O)NC2(C(=O)[O-])CCCC2)C(C2=CC=CC=C2)C1	REAL300012523832	1	60	0.0	-84.55	445.89	8.38	-76.17
CN1CC[N@H+](CCCNC(=O)NCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523833	0	50	0.0	-65.06	374.84	4.30	-60.76
CN1CC[N@@H+](CCCNC(=O)NCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523833	1	50	0.0	-63.71	385.84	4.92	-58.79
C[N@@H+]1CCN(CCCNC(=O)NCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523833	1	50	0.0	-70.04	379.82	4.83	-65.21
C[N@H+]1CCN(CCCNC(=O)NCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523833	1	50	0.0	-70.25	380.85	4.99	-65.26
CCC(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523834	0	56	0.0	-73.23	428.46	6.78	-66.45
CCC(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523834	1	56	0.0	-75.69	417.46	6.17	-69.52
CCC(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523834	1	56	0.0	-82.84	423.47	6.85	-75.99
CCC(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523834	1	56	0.0	-80.16	422.20	6.75	-73.41
CC(C)C(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523835	0	59	0.0	-73.66	445.51	7.35	-66.31
CC(C)C(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523835	1	59	0.0	-76.13	434.50	6.74	-69.39
CC(C)C(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523835	1	59	0.0	-82.76	434.91	7.25	-75.51
CC(C)C(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523835	1	59	0.0	-81.10	434.55	7.02	-74.08
CN(CC(=O)[O-])C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523836	0	53	0.0	-72.94	404.32	7.59	-65.35
CN(CC(=O)[O-])C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523836	1	53	0.0	-74.85	393.58	6.99	-67.86
CN(CC(=O)[O-])C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1	REAL300012523836	1	53	0.0	-81.38	406.00	7.95	-73.43
CN(CC(=O)[O-])C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1	REAL300012523836	1	53	0.0	-79.93	398.56	7.51	-72.42
CC(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523837	0	53	0.0	-64.49	406.64	5.75	-58.74
CC(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523837	1	53	0.0	-65.62	395.63	5.14	-60.48
CC(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523837	1	53	0.0	-71.77	401.95	5.78	-65.99
CC(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523837	1	53	0.0	-70.36	400.61	5.67	-64.69
CCC(C)C(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523838	0	62	0.0	-74.17	459.71	7.73	-66.44
CCC(C)C(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523838	1	62	0.0	-76.44	448.11	7.14	-69.30
CCC(C)C(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523838	1	62	0.0	-81.72	458.45	8.05	-73.67
CCC(C)C(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523838	1	62	0.0	-82.23	454.64	7.85	-74.38
CN(CC(=O)[O-])C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523839	0	53	0.0	-72.94	404.32	7.59	-65.35
CN(CC(=O)[O-])C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523839	1	53	0.0	-74.85	393.58	6.99	-67.86
CN(CC(=O)[O-])C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1	REAL300012523839	1	53	0.0	-81.38	406.00	7.95	-73.43
CN(CC(=O)[O-])C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1	REAL300012523839	1	53	0.0	-79.93	398.56	7.51	-72.42
CN1CC[N@H+](CCCNC(=O)N2CCCCC2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523840	0	60	0.0	-82.58	437.95	9.67	-72.91
CN1CC[N@@H+](CCCNC(=O)N2CCCCC2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523840	1	60	0.0	-83.80	438.72	9.90	-73.90
C[N@@H+]1CCN(CCCNC(=O)N2CCCCC2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523840	1	60	0.0	-94.19	432.53	9.86	-84.33
C[N@H+]1CCN(CCCNC(=O)N2CCCCC2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523840	1	60	0.0	-92.95	440.97	10.44	-82.51
CCCC(C)(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523841	0	62	0.0	-74.16	454.10	7.90	-66.26
CCCC(C)(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523841	1	62	0.0	-75.72	443.10	7.29	-68.43
CCCC(C)(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523841	1	62	0.0	-81.55	449.10	7.97	-73.58
CCCC(C)(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523841	1	62	0.0	-84.05	448.08	7.82	-76.23
CC(C)N(CC(=O)[O-])C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523842	0	59	0.0	-58.28	436.52	8.86	-49.42
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CN1CC[N@@H+](CCCNC(=O)N2CCCC2(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523867	1	60	0.0	-80.34	444.35	9.22	-71.12
C[N@@H+]1CCN(CCCNC(=O)N2CCCC2(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523867	1	60	0.0	-86.73	445.78	9.58	-77.15
C[N@H+]1CCN(CCCNC(=O)N2CCCC2(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523867	1	60	0.0	-89.22	446.72	9.74	-79.48
CN1CC[N@H+](CCCNC(=O)NC(C(=O)[O-])C2CC2)C(C2=CC=CC=C2)C1	REAL300012523868	0	57	0.0	-74.86	424.36	6.64	-68.22
CN1CC[N@@H+](CCCNC(=O)NC(C(=O)[O-])C2CC2)C(C2=CC=CC=C2)C1	REAL300012523868	1	57	0.0	-74.81	432.70	7.25	-67.56
C[N@@H+]1CCN(CCCNC(=O)NC(C(=O)[O-])C2CC2)C(C2=CC=CC=C2)C1	REAL300012523868	1	57	0.0	-81.19	426.66	7.16	-74.03
C[N@H+]1CCN(CCCNC(=O)NC(C(=O)[O-])C2CC2)C(C2=CC=CC=C2)C1	REAL300012523868	1	57	0.0	-81.20	437.27	7.77	-73.43
CC(C(=O)[O-])N(C)C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523869	0	56	0.0	-70.82	418.44	7.68	-63.14
CC(C(=O)[O-])N(C)C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523869	1	56	0.0	-71.68	407.55	7.22	-64.46
CC(C(=O)[O-])N(C)C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1	REAL300012523869	1	56	0.0	-77.38	413.99	7.80	-69.58
CC(C(=O)[O-])N(C)C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1	REAL300012523869	1	56	0.0	-75.52	413.47	7.75	-67.77
CCCCC(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523870	0	62	0.0	-73.16	471.46	8.32	-64.84
CCCCC(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523870	1	62	0.0	-75.65	460.46	7.71	-67.94
CCCCC(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523870	1	62	0.0	-82.42	466.22	8.45	-73.97
CCCCC(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523870	1	62	0.0	-80.15	465.20	8.29	-71.86
CN1CC[N@H+](CCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523871	0	60	0.0	-81.95	433.22	8.59	-73.36
CN1CC[N@@H+](CCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523871	1	60	0.0	-81.58	433.37	8.60	-72.98
C[N@@H+]1CCN(CCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523871	1	60	0.0	-86.50	446.78	9.71	-76.79
C[N@H+]1CCN(CCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523871	1	60	0.0	-87.23	439.35	9.29	-77.94
COCC(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523872	0	57	0.0	-75.69	440.32	5.01	-70.68
COCC(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523872	1	57	0.0	-76.47	428.83	4.38	-72.09
COCC(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523872	1	57	0.0	-84.25	435.19	5.13	-79.12
COCC(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523872	1	57	0.0	-82.01	434.30	4.93	-77.08
CC(C(=O)[O-])N(C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C1CC1	REAL300012523873	0	60	0.0	-59.24	445.69	9.31	-49.93
CC(C(=O)[O-])N(C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C1CC1	REAL300012523873	1	60	0.0	-62.31	433.79	8.65	-53.66
CC(C(=O)[O-])N(C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C1CC1	REAL300012523873	1	60	0.0	-69.40	446.25	9.51	-59.89
CC(C(=O)[O-])N(C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C1CC1	REAL300012523873	1	60	0.0	-70.47	438.78	9.20	-61.27
COCC(C)(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523874	0	60	0.0	-77.27	450.85	6.42	-70.85
COCC(C)(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523874	1	60	0.0	-79.94	439.84	5.82	-74.12
COCC(C)(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523874	1	60	0.0	-87.92	445.85	6.50	-81.42
COCC(C)(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523874	1	60	0.0	-85.66	444.82	6.35	-79.31
CC(C)CN(CC(=O)[O-])C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523875	0	62	0.0	-59.01	462.55	9.86	-49.15
CC(C)CN(CC(=O)[O-])C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523875	1	62	0.0	-59.42	451.55	9.23	-50.19
CC(C)CN(CC(=O)[O-])C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1	REAL300012523875	1	62	0.0	-64.63	463.79	9.97	-54.66
CC(C)CN(CC(=O)[O-])C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1	REAL300012523875	1	62	0.0	-68.98	456.28	9.56	-59.42
CN1CC[N@H+](CCCNC(=O)N(CC(=O)[O-])C2CC2)C(C2=CC=CC=C2)C1	REAL300012523876	0	57	0.0	-58.03	417.84	8.38	-49.65
CN1CC[N@@H+](CCCNC(=O)N(CC(=O)[O-])C2CC2)C(C2=CC=CC=C2)C1	REAL300012523876	1	57	0.0	-76.12	427.41	8.86	-67.26
C[N@@H+]1CCN(CCCNC(=O)N(CC(=O)[O-])C2CC2)C(C2=CC=CC=C2)C1	REAL300012523876	1	57	0.0	-85.29	421.39	8.78	-76.51
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C=CCCC(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523878	1	60	0.0	-72.88	462.78	8.11	-64.77
C=CCCC(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523878	1	60	0.0	-80.32	456.75	8.02	-72.30
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CN1CC[N@H+](CCCNC(=O)NC(CF)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523879	0	53	0.0	-63.41	399.22	5.15	-58.26
CN1CC[N@@H+](CCCNC(=O)NC(CF)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523879	1	53	0.0	-62.07	410.26	5.76	-56.31
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CC(C(=O)[O-])N(C)C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523880	0	56	0.0	-70.82	418.44	7.68	-63.14
CC(C(=O)[O-])N(C)C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523880	1	56	0.0	-71.68	407.55	7.22	-64.46
CC(C(=O)[O-])N(C)C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1	REAL300012523880	1	56	0.0	-77.38	413.99	7.80	-69.58
CC(C(=O)[O-])N(C)C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1	REAL300012523880	1	56	0.0	-75.52	413.47	7.75	-67.77
CCC(CC)(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523881	0	62	0.0	-74.03	449.27	8.03	-66.00
CCC(CC)(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523881	1	62	0.0	-76.78	438.27	7.42	-69.36
CCC(CC)(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523881	1	62	0.0	-82.53	444.28	8.11	-74.42
CCC(CC)(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523881	1	62	0.0	-82.76	442.97	7.95	-74.81
CCC(C)N(CC(=O)[O-])C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523882	0	62	0.0	-56.53	457.11	9.91	-46.62
CCC(C)N(CC(=O)[O-])C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523882	1	62	0.0	-57.02	448.24	9.48	-47.54
CCC(C)N(CC(=O)[O-])C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1	REAL300012523882	1	62	0.0	-66.14	452.12	9.98	-56.16
CCC(C)N(CC(=O)[O-])C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1	REAL300012523882	1	62	0.0	-68.97	451.10	9.83	-59.14
CN1CC[N@H+](CCCNC(=O)NC(CC2CC2)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523883	0	60	0.0	-75.03	449.34	7.66	-67.37
CN1CC[N@@H+](CCCNC(=O)NC(CC2CC2)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523883	1	60	0.0	-74.31	460.59	8.21	-66.10
C[N@@H+]1CCN(CCCNC(=O)NC(CC2CC2)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523883	1	60	0.0	-82.32	453.21	8.24	-74.08
C[N@H+]1CCN(CCCNC(=O)NC(CC2CC2)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523883	1	60	0.0	-81.57	460.66	8.69	-72.88
COCCC(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523884	0	60	0.0	-72.91	461.90	5.90	-67.01
COCCC(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523884	1	60	0.0	-75.79	451.13	5.23	-70.56
COCCC(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523884	1	60	0.0	-82.44	456.90	5.96	-76.48
COCCC(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523884	1	60	0.0	-79.95	455.87	5.81	-74.14
CN1CC[N@H+](CCCNC(=O)NC(CC(F)F)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523885	0	56	0.0	-75.09	429.81	6.45	-68.64
CN1CC[N@@H+](CCCNC(=O)NC(CC(F)F)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523885	1	56	0.0	-67.75	438.25	7.31	-60.44
C[N@@H+]1CCN(CCCNC(=O)NC(CC(F)F)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523885	1	56	0.0	-79.43	434.55	7.04	-72.39
C[N@H+]1CCN(CCCNC(=O)NC(CC(F)F)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523885	1	56	0.0	-81.51	435.58	7.19	-74.32
CCCN(C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012523886	0	62	0.0	-74.96	461.33	10.02	-64.94
CCCN(C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012523886	1	62	0.0	-71.72	446.92	8.80	-62.92
CCCN(C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012523886	1	62	0.0	-78.73	453.13	9.49	-69.24
CCCN(C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012523886	1	62	0.0	-76.47	452.11	9.33	-67.14
CN1CC[N@H+](CCCNC(=O)NC(CCF)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523887	0	56	0.0	-74.08	424.05	6.30	-67.78
CN1CC[N@@H+](CCCNC(=O)NC(CCF)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523887	1	56	0.0	-71.60	434.82	6.98	-64.62
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CN1CC[N@@H+](CCCNC(=O)N2CC3CC2(C(=O)[O-])C3)C(C2=CC=CC=C2)C1	REAL300012523890	1	58	0.0	-86.33	435.46	9.30	-77.03
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C[N@H+]1CCN(CCCNC(=O)N2CC3CC2(C(=O)[O-])C3)C(C2=CC=CC=C2)C1	REAL300012523890	1	58	0.0	-93.88	436.90	9.81	-84.07
CN1CC[N@H+](CCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C2=CC=CC=C2)C1	REAL300012523891	0	62	0.0	-75.53	446.65	7.27	-68.26
CN1CC[N@@H+](CCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C2=CC=CC=C2)C1	REAL300012523891	1	62	0.0	-73.04	457.64	7.89	-65.15
C[N@@H+]1CCN(CCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C2=CC=CC=C2)C1	REAL300012523891	1	62	0.0	-81.22	460.74	8.22	-73.00
C[N@H+]1CCN(CCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C2=CC=CC=C2)C1	REAL300012523891	1	62	0.0	-83.60	461.67	8.38	-75.22
C=C(C)CC(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523892	0	60	0.0	-75.07	450.51	7.38	-67.69
C=C(C)CC(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523892	1	60	0.0	-74.57	461.34	8.14	-66.43
C=C(C)CC(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523892	1	60	0.0	-80.68	455.35	8.06	-72.62
C=C(C)CC(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523892	1	60	0.0	-83.34	456.61	8.16	-75.18
CN1CC[N@H+](CCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523893	0	57	0.0	-79.86	422.70	8.17	-71.69
CN1CC[N@@H+](CCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523893	1	57	0.0	-79.46	422.75	8.15	-71.31
C[N@@H+]1CCN(CCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523893	1	57	0.0	-87.19	427.69	8.69	-78.50
C[N@H+]1CCN(CCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523893	1	57	0.0	-84.40	428.78	8.83	-75.57
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC[N@H+]2CCN(C)CC2C2=CC=CC=C2)C1	REAL300012523894	0	58	0.0	-80.81	441.31	8.72	-72.09
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC[N@@H+]2CCN(C)CC2C2=CC=CC=C2)C1	REAL300012523894	1	58	0.0	-82.25	430.45	8.12	-74.13
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCN2CC[N@@H+](C)CC2C2=CC=CC=C2)C1	REAL300012523894	1	58	0.0	-90.05	436.39	8.82	-81.23
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCN2CC[N@H+](C)CC2C2=CC=CC=C2)C1	REAL300012523894	1	58	0.0	-87.61	436.49	8.79	-78.82
CC(C)C[C@H](NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523895	0	62	0.0	-73.57	467.17	8.07	-65.50
CC(C)C[C@H](NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523895	1	62	0.0	-75.38	455.33	7.47	-67.91
CC(C)C[C@H](NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523895	1	62	0.0	-82.16	468.75	8.58	-73.58
CC(C)C[C@H](NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523895	1	62	0.0	-82.78	460.31	7.99	-74.79
CN1CC[N@H+](CCCNC(=O)NC(CC2CC2)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523896	0	60	0.0	-75.03	449.34	7.66	-67.37
CN1CC[N@@H+](CCCNC(=O)NC(CC2CC2)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523896	1	60	0.0	-74.31	460.59	8.21	-66.10
C[N@@H+]1CCN(CCCNC(=O)NC(CC2CC2)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523896	1	60	0.0	-82.32	453.21	8.24	-74.08
C[N@H+]1CCN(CCCNC(=O)NC(CC2CC2)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523896	1	60	0.0	-81.57	460.66	8.69	-72.88
CSCC(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523897	0	57	0.0	-71.37	451.92	7.19	-64.18
CSCC(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523897	1	57	0.0	-72.32	440.26	6.60	-65.72
CSCC(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523897	1	57	0.0	-80.68	447.17	7.19	-73.49
CSCC(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523897	1	57	0.0	-78.73	446.14	7.04	-71.69
COC[C@H](NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523898	0	57	0.0	-74.55	440.33	5.02	-69.53
COC[C@H](NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523898	1	57	0.0	-76.99	429.32	4.40	-72.59
COC[C@H](NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523898	1	57	0.0	-83.75	442.74	5.51	-78.24
COC[C@H](NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523898	1	57	0.0	-81.27	441.80	5.34	-75.93
CC[C@H](NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523899	0	56	0.0	-72.59	427.63	6.78	-65.81
CC[C@H](NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523899	1	56	0.0	-75.69	417.46	6.17	-69.52
CC[C@H](NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523899	1	56	0.0	-82.20	430.88	7.28	-74.92
CC[C@H](NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523899	1	56	0.0	-82.51	422.20	6.75	-75.76
CN1CC[N@H+](CCCNC(=O)N2CCC[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523900	0	57	0.0	-79.89	427.91	8.39	-71.50
CN1CC[N@@H+](CCCNC(=O)N2CCC[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523900	1	57	0.0	-80.92	428.00	8.37	-72.55
C[N@@H+]1CCN(CCCNC(=O)N2CCC[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523900	1	57	0.0	-90.97	419.30	8.11	-82.86
C[N@H+]1CCN(CCCNC(=O)N2CCC[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523900	1	57	0.0	-87.32	429.45	8.70	-78.62
CCCC(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523901	0	59	0.0	-74.28	449.96	7.54	-66.74
CCCC(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523901	1	59	0.0	-74.94	438.13	6.93	-68.01
CCCC(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523901	1	59	0.0	-82.47	444.73	7.67	-74.80
CCCC(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523901	1	59	0.0	-80.49	443.94	7.46	-73.03
CC(C)[C@@H](NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523902	0	59	0.0	-73.59	443.59	7.38	-66.21
CC(C)[C@@H](NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523902	1	59	0.0	-75.88	434.50	6.72	-69.16
CC(C)[C@@H](NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523902	1	59	0.0	-80.28	447.92	7.84	-72.44
CC(C)[C@@H](NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523902	1	59	0.0	-79.88	437.56	7.29	-72.59
CCN(C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012523903	0	62	0.0	-76.06	453.09	9.52	-66.54
CCN(C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012523903	1	62	0.0	-78.79	441.32	8.90	-69.89
CCN(C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012523903	1	62	0.0	-87.18	448.15	9.60	-77.58
CCN(C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012523903	1	62	0.0	-84.81	447.11	9.45	-75.36
CCCN(C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012523904	0	62	0.0	-74.96	461.33	10.02	-64.94
CCCN(C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012523904	1	62	0.0	-71.72	446.92	8.80	-62.92
CCCN(C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012523904	1	62	0.0	-78.73	453.13	9.49	-69.24
CCCN(C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012523904	1	62	0.0	-76.47	452.11	9.33	-67.14
CN(C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012523905	0	59	0.0	-77.47	433.61	8.68	-68.79
CN(C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012523905	1	59	0.0	-78.62	421.92	8.01	-70.61
CN(C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012523905	1	59	0.0	-84.08	435.07	9.01	-75.07
CN(C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012523905	1	59	0.0	-84.79	427.67	8.57	-76.22
CN1CC[N@H+](CCCNC(=O)N2CCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523906	0	57	0.0	-80.56	427.05	8.68	-71.88
CN1CC[N@@H+](CCCNC(=O)N2CCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523906	1	57	0.0	-81.90	416.18	8.06	-73.84
C[N@@H+]1CCN(CCCNC(=O)N2CCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523906	1	57	0.0	-88.79	418.54	8.42	-80.37
C[N@H+]1CCN(CCCNC(=O)N2CCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523906	1	57	0.0	-87.41	422.24	8.74	-78.67
CN1CC[N@H+](CCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523907	0	58	0.0	-81.82	439.10	4.98	-76.84
CN1CC[N@@H+](CCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523907	1	58	0.0	-83.02	439.26	4.99	-78.03
C[N@@H+]1CCN(CCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523907	1	58	0.0	-91.26	440.69	5.32	-85.94
C[N@H+]1CCN(CCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523907	1	58	0.0	-91.71	434.30	5.04	-86.67
CCC[C@@H](NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523908	0	59	0.0	-73.75	449.72	7.60	-66.15
CCC[C@@H](NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523908	1	59	0.0	-75.39	438.96	6.93	-68.46
CCC[C@@H](NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523908	1	59	0.0	-79.68	452.38	8.03	-71.65
CCC[C@@H](NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523908	1	59	0.0	-82.16	451.44	7.87	-74.29
C=CCCC(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523909	0	60	0.0	-75.13	451.77	7.49	-67.64
C=CCCC(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523909	1	60	0.0	-72.88	462.78	8.11	-64.77
C=CCCC(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523909	1	60	0.0	-80.32	456.75	8.02	-72.30
C=CCCC(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523909	1	60	0.0	-82.31	457.54	8.23	-74.08
CN1CC[N@H+](CCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523910	0	60	0.0	-79.21	444.24	9.24	-69.97
CN1CC[N@@H+](CCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523910	1	60	0.0	-81.98	433.31	8.60	-73.38
C[N@@H+]1CCN(CCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523910	1	60	0.0	-89.23	446.78	9.73	-79.50
C[N@H+]1CCN(CCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523910	1	60	0.0	-89.85	439.42	9.30	-80.55
CC(C)[C@H](NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523911	0	59	0.0	-71.85	442.64	7.31	-64.54
CC(C)[C@H](NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523911	1	59	0.0	-76.11	434.50	6.74	-69.37
CC(C)[C@H](NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523911	1	59	0.0	-81.11	445.06	7.81	-73.30
CC(C)[C@H](NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523911	1	59	0.0	-81.82	436.62	7.23	-74.59
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523912	0	56	0.0	-69.12	418.99	7.73	-61.39
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523912	1	56	0.0	-71.68	407.55	7.22	-64.46
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1	REAL300012523912	1	56	0.0	-77.29	420.98	8.33	-68.96
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1	REAL300012523912	1	56	0.0	-77.37	413.47	7.75	-69.62
CCC[C@H](NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523913	0	59	0.0	-73.25	449.96	7.54	-65.71
CCC[C@H](NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523913	1	59	0.0	-74.94	438.13	6.93	-68.01
CCC[C@H](NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523913	1	59	0.0	-82.13	452.38	8.04	-74.09
CCC[C@H](NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523913	1	59	0.0	-79.24	450.61	7.88	-71.36
CCN(C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012523914	0	59	0.0	-69.59	436.17	8.61	-60.98
CCN(C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012523914	1	59	0.0	-71.43	424.66	7.89	-63.54
CCN(C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012523914	1	59	0.0	-78.06	431.17	8.68	-69.38
CCN(C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012523914	1	59	0.0	-76.03	430.15	8.53	-67.50
CC(CN(C)C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523915	0	59	0.0	-78.28	439.06	8.49	-69.79
CC(CN(C)C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523915	1	59	0.0	-76.53	427.81	7.63	-68.90
CC(CN(C)C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523915	1	59	0.0	-84.18	441.35	8.86	-75.32
CC(CN(C)C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523915	1	59	0.0	-80.46	433.67	8.18	-72.28
CC[C@H](C)[C@H](NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523916	0	62	0.0	-74.18	459.70	7.73	-66.45
CC[C@H](C)[C@H](NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523916	1	62	0.0	-75.41	447.04	7.10	-68.31
CC[C@H](C)[C@H](NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523916	1	62	0.0	-83.32	462.12	8.23	-75.09
CC[C@H](C)[C@H](NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523916	1	62	0.0	-83.46	452.96	7.69	-75.77
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523917	0	59	0.0	-69.98	438.85	8.92	-61.06
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523917	1	59	0.0	-72.65	427.89	8.14	-64.51
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1	REAL300012523917	1	59	0.0	-77.79	441.27	9.41	-68.38
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1	REAL300012523917	1	59	0.0	-77.88	433.92	8.82	-69.06
COCCC(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523918	0	60	0.0	-72.91	461.90	5.90	-67.01
COCCC(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523918	1	60	0.0	-75.79	451.13	5.23	-70.56
COCCC(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523918	1	60	0.0	-82.44	456.90	5.96	-76.48
COCCC(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523918	1	60	0.0	-79.95	455.87	5.81	-74.14
CN1CC[N@H+](CCCNC(=O)NC(C(=O)[O-])C2(C)CC2)C(C2=CC=CC=C2)C1	REAL300012523919	0	60	0.0	-77.32	438.92	7.50	-69.82
CN1CC[N@@H+](CCCNC(=O)NC(C(=O)[O-])C2(C)CC2)C(C2=CC=CC=C2)C1	REAL300012523919	1	60	0.0	-75.96	449.92	8.11	-67.85
C[N@@H+]1CCN(CCCNC(=O)NC(C(=O)[O-])C2(C)CC2)C(C2=CC=CC=C2)C1	REAL300012523919	1	60	0.0	-84.54	451.23	7.75	-76.79
C[N@H+]1CCN(CCCNC(=O)NC(C(=O)[O-])C2(C)CC2)C(C2=CC=CC=C2)C1	REAL300012523919	1	60	0.0	-83.81	459.67	8.34	-75.47
CN1CC[N@H+](CCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523920	0	58	0.0	-85.63	437.85	5.17	-80.46
CN1CC[N@@H+](CCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523920	1	58	0.0	-89.26	428.21	4.54	-84.72
C[N@@H+]1CCN(CCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523920	1	58	0.0	-95.81	439.40	5.51	-90.30
C[N@H+]1CCN(CCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523920	1	58	0.0	-93.19	439.33	5.51	-87.68
CN1CC[N@H+](CCCNC(=O)NC(C(=O)[O-])C2CCC2)C(C2=CC=CC=C2)C1	REAL300012523921	0	60	0.0	-75.45	441.81	7.14	-68.31
CN1CC[N@@H+](CCCNC(=O)NC(C(=O)[O-])C2CCC2)C(C2=CC=CC=C2)C1	REAL300012523921	1	60	0.0	-74.40	448.98	7.66	-66.74
C[N@@H+]1CCN(CCCNC(=O)NC(C(=O)[O-])C2CCC2)C(C2=CC=CC=C2)C1	REAL300012523921	1	60	0.0	-83.92	442.56	7.66	-76.26
C[N@H+]1CCN(CCCNC(=O)NC(C(=O)[O-])C2CCC2)C(C2=CC=CC=C2)C1	REAL300012523921	1	60	0.0	-83.63	450.54	8.01	-75.62
CN1CC[N@H+](CCCNC(=O)NC(C(=O)[O-])C2CCC2)C(C2=CC=CC=C2)C1	REAL300012523922	0	60	0.0	-75.45	441.81	7.14	-68.31
CN1CC[N@@H+](CCCNC(=O)NC(C(=O)[O-])C2CCC2)C(C2=CC=CC=C2)C1	REAL300012523922	1	60	0.0	-74.40	448.98	7.66	-66.74
C[N@@H+]1CCN(CCCNC(=O)NC(C(=O)[O-])C2CCC2)C(C2=CC=CC=C2)C1	REAL300012523922	1	60	0.0	-83.92	442.56	7.66	-76.26
C[N@H+]1CCN(CCCNC(=O)NC(C(=O)[O-])C2CCC2)C(C2=CC=CC=C2)C1	REAL300012523922	1	60	0.0	-83.63	450.54	8.01	-75.62
CC1CCN(C(=O)NCCC[N@@H+]2CCN(C)CC2C2=CC=CC=C2)C1C(=O)[O-]	REAL300012523923	0	60	0.0	-82.08	448.60	8.95	-73.13
CC1CCN(C(=O)NCCC[N@H+]2CCN(C)CC2C2=CC=CC=C2)C1C(=O)[O-]	REAL300012523923	1	60	0.0	-80.90	448.54	8.94	-71.96
CC1CCN(C(=O)NCCCN2CC[N@H+](C)CC2C2=CC=CC=C2)C1C(=O)[O-]	REAL300012523923	1	60	0.0	-89.35	443.39	9.74	-79.61
CC1CCN(C(=O)NCCCN2CC[N@@H+](C)CC2C2=CC=CC=C2)C1C(=O)[O-]	REAL300012523923	1	60	0.0	-90.15	434.94	9.15	-81.00
C=CCC(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523924	0	57	0.0	-74.44	429.94	6.62	-67.82
C=CCC(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523924	1	57	0.0	-73.58	441.50	7.29	-66.29
C=CCC(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523924	1	57	0.0	-80.19	435.72	7.15	-73.04
C=CCC(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523924	1	57	0.0	-82.43	436.75	7.30	-75.13
CN1CC[N@H+](CCCNC(=O)NC2(C(=O)[O-])COC2)C(C2=CC=CC=C2)C1	REAL300012523925	0	55	0.0	-74.23	409.41	3.91	-70.32
CN1CC[N@@H+](CCCNC(=O)NC2(C(=O)[O-])COC2)C(C2=CC=CC=C2)C1	REAL300012523925	1	55	0.0	-72.84	420.04	4.55	-68.29
C[N@@H+]1CCN(CCCNC(=O)NC2(C(=O)[O-])COC2)C(C2=CC=CC=C2)C1	REAL300012523925	1	55	0.0	-80.13	414.40	4.44	-75.69
C[N@H+]1CCN(CCCNC(=O)NC2(C(=O)[O-])COC2)C(C2=CC=CC=C2)C1	REAL300012523925	1	55	0.0	-79.28	422.84	5.02	-74.26
CC(C)C(C)(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523926	0	62	0.0	-74.65	447.52	7.77	-66.88
CC(C)C(C)(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523926	1	62	0.0	-76.55	438.33	7.22	-69.33
CC(C)C(C)(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523926	1	62	0.0	-84.49	442.53	7.84	-76.65
CC(C)C(C)(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523926	1	62	0.0	-82.57	443.31	7.74	-74.83
CN1CC[N@H+](CCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523927	0	58	0.0	-84.58	434.43	9.86	-74.72
CN1CC[N@@H+](CCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523927	1	58	0.0	-83.70	433.17	9.84	-73.86
C[N@@H+]1CCN(CCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523927	1	58	0.0	-93.63	428.86	9.75	-83.88
C[N@H+]1CCN(CCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523927	1	58	0.0	-94.90	426.26	9.55	-85.35
CCC(C(=O)[O-])N(CC)C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523928	0	62	0.0	-72.09	453.63	9.64	-62.45
CCC(C(=O)[O-])N(CC)C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523928	1	62	0.0	-72.12	442.18	8.96	-63.16
CCC(C(=O)[O-])N(CC)C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1	REAL300012523928	1	62	0.0	-78.72	448.18	9.65	-69.07
CCC(C(=O)[O-])N(CC)C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1	REAL300012523928	1	62	0.0	-76.64	447.15	9.49	-67.15
CN1CC[N@H+](CCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523929	0	57	0.0	-79.86	422.70	8.17	-71.69
CN1CC[N@@H+](CCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523929	1	57	0.0	-79.46	422.75	8.15	-71.31
C[N@@H+]1CCN(CCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523929	1	57	0.0	-87.19	427.69	8.69	-78.50
C[N@H+]1CCN(CCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523929	1	57	0.0	-84.40	428.78	8.83	-75.57
CN1CC[N@H+](CCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523930	0	59	0.0	-54.92	432.46	8.89	-46.03
CN1CC[N@@H+](CCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523930	1	59	0.0	-54.47	442.75	9.54	-44.93
C[N@@H+]1CCN(CCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523930	1	59	0.0	-67.67	436.75	9.36	-58.31
C[N@H+]1CCN(CCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523930	1	59	0.0	-68.24	445.20	9.94	-58.30
CO[C@H](C)[C@H](NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523931	0	60	0.0	-73.77	458.00	6.02	-67.75
CO[C@H](C)[C@H](NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523931	1	60	0.0	-76.78	447.46	5.40	-71.38
CO[C@H](C)[C@H](NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523931	1	60	0.0	-83.43	460.75	6.57	-76.86
CO[C@H](C)[C@H](NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523931	1	60	0.0	-84.24	452.44	5.93	-78.31
CC1[C@@H](C)[C@@]1(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523932	0	60	0.0	-81.14	451.48	8.51	-72.63
CC1[C@@H](C)[C@@]1(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523932	1	60	0.0	-78.28	444.92	8.13	-70.15
CC1[C@@H](C)[C@@]1(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523932	1	60	0.0	-87.32	437.68	8.08	-79.24
CC1[C@@H](C)[C@@]1(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523932	1	60	0.0	-86.74	445.11	8.51	-78.23
CCCC(C(=O)[O-])N(C)C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523933	0	62	0.0	-70.53	460.93	9.58	-60.95
CCCC(C(=O)[O-])N(C)C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523933	1	62	0.0	-72.36	449.34	9.08	-63.28
CCCC(C(=O)[O-])N(C)C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1	REAL300012523933	1	62	0.0	-78.12	456.44	9.75	-68.37
CCCC(C(=O)[O-])N(C)C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1	REAL300012523933	1	62	0.0	-76.56	454.33	9.55	-67.01
CCOCC(NC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523934	0	60	0.0	-76.04	462.18	5.97	-70.07
CCOCC(NC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523934	1	60	0.0	-77.33	451.17	5.38	-71.95
CCOCC(NC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523934	1	60	0.0	-84.84	457.18	6.06	-78.78
CCOCC(NC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300012523934	1	60	0.0	-82.37	456.15	5.91	-76.46
CN1CC[N@H+](CCCNC(=O)NC(CCC#N)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523935	0	57	0.0	-76.66	438.33	6.66	-70.00
CN1CC[N@@H+](CCCNC(=O)NC(CCC#N)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523935	1	57	0.0	-74.52	449.32	7.28	-67.24
C[N@@H+]1CCN(CCCNC(=O)NC(CCC#N)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523935	1	57	0.0	-80.83	443.29	7.19	-73.64
C[N@H+]1CCN(CCCNC(=O)NC(CCC#N)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300012523935	1	57	0.0	-83.27	444.32	7.35	-75.92
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523936	0	56	0.0	-70.41	418.42	7.77	-62.64
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1	REAL300012523936	1	56	0.0	-70.96	407.98	7.12	-63.84
C[C@H](C(=O)[O-])N(C)C(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1	REAL300012523936	1	56	0.0	-74.83	421.91	8.33	-66.50
C[C@H](C(=O)[O-])N(C)C(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1	REAL300012523936	1	56	0.0	-76.63	420.46	8.07	-68.56
CC(C)C[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523937	0	59	0.0	-78.98	445.46	8.07	-70.91
C=CCOCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523938	0	58	0.0	-79.33	452.90	6.50	-72.83
C=CC(C)C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523939	0	57	0.0	-79.69	432.34	7.60	-72.09
CC1CCN(C(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C(=O)[O-])C1	REAL300012523940	0	60	0.0	-88.52	437.77	10.53	-77.99
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523941	0	56	0.0	-63.98	426.20	9.29	-54.69
CC(C(=O)[O-])N(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCC1	REAL300012523942	0	60	0.0	-65.87	438.95	9.64	-56.23
CCCN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(CC)C(=O)[O-]	REAL300012523943	0	62	0.0	-80.27	454.98	10.92	-69.35
CC(C)C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523944	0	56	0.0	-77.51	417.89	7.03	-70.48
O=C([O-])C1CCCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523945	0	57	0.0	-88.25	416.85	9.90	-78.35
O=C([O-])C1CSCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523946	0	55	0.0	-85.55	416.68	9.77	-75.78
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCCC1	REAL300012523947	0	60	0.0	-81.94	436.28	8.94	-73.00
O=C([O-])C1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523948	0	54	0.0	-84.44	405.52	8.63	-75.81
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCC1	REAL300012523949	0	57	0.0	-81.91	421.77	7.84	-74.07
O=C([O-])CNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523950	0	47	0.0	-69.09	364.15	4.88	-64.21
O=C([O-])[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012523951	0	57	0.0	-79.97	442.95	8.80	-71.17
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012523952	0	57	0.0	-79.88	442.90	8.79	-71.09
CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523953	0	53	0.0	-77.72	405.94	6.74	-70.98
CC(C)C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523954	0	56	0.0	-77.51	417.89	7.03	-70.48
CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523955	0	50	0.0	-77.97	382.89	7.56	-70.41
CC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523956	0	50	0.0	-69.47	384.78	5.73	-63.74
CCC(C)C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523957	0	59	0.0	-79.39	438.01	7.69	-71.70
CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523958	0	50	0.0	-77.97	382.89	7.56	-70.41
O=C([O-])C1CCCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523959	0	57	0.0	-88.25	416.85	9.90	-78.35
CCCC(C)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523960	0	59	0.0	-78.05	432.41	7.86	-70.19
CC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523961	0	56	0.0	-64.95	414.82	8.82	-56.13
O=C([O-])CN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012523962	0	54	0.0	-65.19	407.96	9.06	-56.13
C=CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523963	0	54	0.0	-63.74	417.51	9.10	-54.64
CC(C)CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523964	0	59	0.0	-63.26	440.62	9.60	-53.66
CC(C)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523965	0	53	0.0	-68.16	397.52	6.11	-62.05
CC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)(C(=O)[O-])C1CC1	REAL300012523966	0	57	0.0	-79.87	419.90	7.81	-72.06
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCCC1	REAL300012523967	0	60	0.0	-81.94	436.28	8.94	-73.00
CC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523968	0	56	0.0	-64.95	414.82	8.82	-56.13
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523969	0	56	0.0	-63.98	426.20	9.29	-54.69
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523970	0	53	0.0	-78.17	404.70	8.54	-69.63
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523971	0	59	0.0	-78.85	437.28	7.73	-71.12
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCC1	REAL300012523972	0	57	0.0	-81.91	421.77	7.84	-74.07
CCC(C)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523973	0	56	0.0	-77.78	410.91	7.10	-70.68
C[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523974	0	50	0.0	-69.81	384.94	5.71	-64.10
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523975	0	53	0.0	-78.17	404.70	8.54	-69.63
C[C@@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523976	0	50	0.0	-70.28	384.75	5.62	-64.66
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300012523977	0	51	0.0	-83.68	391.09	6.93	-76.75
O=C([O-])C1COCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523978	0	55	0.0	-84.84	408.02	7.24	-77.60
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012523979	0	54	0.0	-78.98	411.00	7.20	-71.78
COCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523980	0	57	0.0	-64.59	436.08	7.72	-56.87
O=C([O-])[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523981	0	54	0.0	-84.93	405.78	8.29	-76.64
O=C([O-])[C@H]1CCCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523982	0	57	0.0	-86.78	415.89	9.61	-77.17
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523983	0	53	0.0	-75.45	396.74	7.63	-67.82
O=C([O-])[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523984	0	54	0.0	-84.69	405.01	8.60	-76.09
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC1	REAL300012523985	0	54	0.0	-82.95	408.01	7.43	-75.52
C=CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523986	0	54	0.0	-77.89	420.09	7.17	-70.72
CC1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523987	0	57	0.0	-84.24	422.10	9.14	-75.10
O=C([O-])C1CCCCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523988	0	60	0.0	-85.49	429.86	10.20	-75.29
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012523989	0	54	0.0	-78.98	411.00	7.20	-71.78
CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523990	0	53	0.0	-75.12	396.73	7.73	-67.39
CCCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523991	0	59	0.0	-77.62	448.94	8.29	-69.33
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012523992	0	57	0.0	-84.47	422.11	9.13	-75.34
O=C([O-])CN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCC1	REAL300012523993	0	60	0.0	-63.04	441.05	10.11	-52.93
COCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523994	0	54	0.0	-79.86	418.63	4.96	-74.90
CCCCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523995	0	62	0.0	-78.30	471.27	9.05	-69.25
CN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1(C(=O)[O-])CCCC1	REAL300012523996	0	60	0.0	-84.57	432.21	9.54	-75.03
CC(C(=O)[O-])N(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012523997	0	57	0.0	-66.94	423.14	9.13	-57.81
CCC(C(=O)[O-])N(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012523998	0	60	0.0	-78.48	438.54	10.17	-68.31
COCC(C)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012523999	0	57	0.0	-82.17	429.15	6.39	-75.78
CCOCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524000	0	60	0.0	-76.42	448.54	8.22	-68.20
CC(C)CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524001	0	59	0.0	-63.26	440.62	9.60	-53.66
O=C([O-])CN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012524002	0	54	0.0	-65.19	407.96	9.06	-56.13
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCOC1	REAL300012524003	0	55	0.0	-77.58	412.41	5.23	-72.35
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCOCC1	REAL300012524004	0	58	0.0	-81.31	427.71	6.46	-74.85
C=CCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524005	0	57	0.0	-78.05	441.08	8.05	-70.00
O=C([O-])C(CF)NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524006	0	50	0.0	-67.01	388.40	5.74	-61.27
CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524007	0	53	0.0	-75.12	396.73	7.73	-67.39
CCC(CC)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524008	0	59	0.0	-79.07	427.29	7.99	-71.08
CCC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524009	0	59	0.0	-61.53	438.01	9.99	-51.54
CCC(COC)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524010	0	60	0.0	-83.58	445.82	7.29	-76.29
O=C([O-])C(CC1CC1)NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524011	0	57	0.0	-78.50	438.38	8.29	-70.21
COCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524012	0	57	0.0	-77.99	439.61	5.80	-72.19
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524013	0	62	0.0	-75.73	455.02	10.21	-65.52
O=C([O-])C(CC(F)F)NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524014	0	53	0.0	-73.79	417.39	7.25	-66.54
CCCN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012524015	0	59	0.0	-75.36	436.43	9.38	-65.98
O=C([O-])C(CCF)NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524016	0	53	0.0	-77.35	413.36	6.86	-70.49
CC(CCF)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524017	0	56	0.0	-74.89	417.50	7.24	-67.65
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524018	0	54	0.0	-78.56	419.27	8.49	-70.07
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524019	0	53	0.0	-75.08	396.86	7.79	-67.29
O=C([O-])C12CC(C1)CN2C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524020	0	55	0.0	-90.15	412.83	9.27	-80.88
CC(C)(C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524021	0	59	0.0	-79.79	437.06	7.79	-72.00
C=C(Cl)CC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524022	0	54	0.0	-78.43	435.21	7.80	-70.63
C=C(C)CC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524023	0	57	0.0	-77.71	439.83	7.95	-69.76
O=C([O-])C12CCC(CC1)N2C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524024	0	58	0.0	-92.23	427.31	10.09	-82.14
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524025	0	54	0.0	-78.72	419.30	8.49	-70.23
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524026	0	54	0.0	-82.25	411.53	8.68	-73.57
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300012524027	0	55	0.0	-84.87	419.71	8.71	-76.16
CC(C)C[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524028	0	59	0.0	-78.98	445.46	8.07	-70.91
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012524029	0	57	0.0	-79.88	442.90	8.79	-71.09
O=C([O-])C(CC1CC1)NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524030	0	57	0.0	-78.50	438.38	8.29	-70.21
CSCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524031	0	54	0.0	-75.81	430.24	7.14	-68.67
COC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524032	0	54	0.0	-80.02	418.63	4.97	-75.05
CC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524033	0	53	0.0	-78.65	406.77	6.74	-71.91
CCC(C)CC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524034	0	62	0.0	-77.98	462.87	8.70	-69.28
C=CCCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524035	0	60	0.0	-77.81	462.58	8.83	-68.98
O=C([O-])C1CSCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524036	0	55	0.0	-85.55	416.68	9.77	-75.78
O=C([O-])[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524037	0	54	0.0	-84.93	405.78	8.29	-76.64
CCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524038	0	56	0.0	-77.74	427.44	7.50	-70.24
CC(C)[C@@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524039	0	56	0.0	-78.90	423.81	7.30	-71.60
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524040	0	58	0.0	-90.73	427.17	10.19	-80.54
CCN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012524041	0	59	0.0	-81.24	431.49	9.50	-71.74
CCCN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012524042	0	59	0.0	-75.36	436.43	9.38	-65.98
CN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012524043	0	56	0.0	-81.34	411.99	8.61	-72.73
O=C([O-])[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524044	0	54	0.0	-84.69	405.01	8.60	-76.09
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524045	0	55	0.0	-86.82	417.55	4.95	-81.87
CCC[C@@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524046	0	56	0.0	-78.40	428.27	7.50	-70.90
O=C([O-])[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012524047	0	57	0.0	-79.97	442.95	8.80	-71.17
C=CCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524048	0	57	0.0	-78.05	441.08	8.05	-70.00
C[C@]1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524049	0	57	0.0	-84.10	422.63	9.19	-74.91
CC(C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524050	0	56	0.0	-77.51	417.89	7.03	-70.48
O=C([O-])[C@@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012524051	0	57	0.0	-79.23	441.79	8.78	-70.45
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524052	0	53	0.0	-75.08	396.86	7.79	-67.29
CCC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524053	0	56	0.0	-77.94	427.45	7.52	-70.42
CCN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012524054	0	56	0.0	-79.41	417.54	9.25	-70.16
O=C([O-])CN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCC1	REAL300012524055	0	60	0.0	-63.04	441.05	10.11	-52.93
CC(CN(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524056	0	56	0.0	-79.59	417.13	8.20	-71.39
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524057	0	59	0.0	-78.85	437.28	7.73	-71.12
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524058	0	56	0.0	-75.21	417.74	8.76	-66.45
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC(CO)C1	REAL300012524059	0	58	0.0	-87.73	438.44	4.63	-83.10
CC1CCC(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012524060	0	60	0.0	-81.97	442.84	8.47	-73.50
COCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524061	0	57	0.0	-77.99	439.61	5.80	-72.19
CC1(C)CC(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012524062	0	60	0.0	-83.45	444.33	9.15	-74.30
CC1(C(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(=O)[O-])CC1	REAL300012524063	0	57	0.0	-79.98	428.22	8.07	-71.91
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524064	0	55	0.0	-91.38	417.54	5.11	-86.27
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCOC1	REAL300012524065	0	58	0.0	-77.17	441.30	5.86	-71.31
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524066	0	58	0.0	-88.66	427.48	9.77	-78.89
O=C([O-])C12COC(CN1C(=O)NCCC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300012524067	0	56	0.0	-85.57	420.12	7.45	-78.12
CC1CCC(C(=O)[O-])N(C(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300012524068	0	60	0.0	-87.71	437.69	10.49	-77.22
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCC1	REAL300012524069	0	57	0.0	-79.43	426.91	7.61	-71.82
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCC1	REAL300012524070	0	57	0.0	-79.43	426.91	7.61	-71.82
CC1CCN(C(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300012524071	0	57	0.0	-85.53	421.71	8.80	-76.73
C=CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524072	0	54	0.0	-77.89	420.09	7.17	-70.72
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524073	0	58	0.0	-60.05	428.05	9.62	-50.43
COC1CC(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012524074	0	58	0.0	-85.09	441.36	6.41	-78.68
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC(F)(F)C1	REAL300012524075	0	54	0.0	-81.22	416.33	7.47	-73.75
CO[C@H]1C[C@](NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012524076	0	58	0.0	-80.28	439.97	6.70	-73.58
CCC1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524077	0	60	0.0	-84.77	438.42	10.34	-74.43
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)COC1	REAL300012524078	0	52	0.0	-76.85	398.72	4.48	-72.37
CC(C)C(C)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524079	0	59	0.0	-78.47	425.83	7.73	-70.74
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524080	0	55	0.0	-88.70	413.20	9.79	-78.91
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524081	0	58	0.0	-86.94	428.96	9.19	-77.75
CCC(C(=O)[O-])N(CC)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524082	0	59	0.0	-80.58	433.49	10.19	-70.39
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524083	0	54	0.0	-82.25	411.53	8.68	-73.57
O=C([O-])C1C2C=CC(C2)N1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524084	0	56	0.0	-59.69	421.60	9.46	-50.23
CC1(C)CCN(C(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300012524085	0	60	0.0	-86.38	441.67	9.29	-77.09
CC(C)CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524086	0	62	0.0	-78.51	467.34	8.79	-69.72
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC2CC21	REAL300012524087	0	58	0.0	-83.55	429.26	8.67	-74.88
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCC1	REAL300012524088	0	60	0.0	-79.21	443.10	8.28	-70.93
CO[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524089	0	57	0.0	-79.71	436.27	5.92	-73.79
CC1[C@@H](C)[C@@]1(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524090	0	57	0.0	-84.81	429.79	8.47	-76.34
CC1(C)CC(C(=O)[O-])N(C(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300012524091	0	60	0.0	-59.68	445.38	9.44	-50.24
O=C([O-])C1N(C(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC1(F)F	REAL300012524092	0	54	0.0	-88.05	417.20	8.78	-79.27
COCCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524093	0	60	0.0	-77.85	461.94	6.56	-71.29
CCCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524094	0	59	0.0	-76.14	438.69	9.49	-66.65
CCOCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524095	0	57	0.0	-79.68	440.00	5.93	-73.75
CC(C)(C)CC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524096	0	62	0.0	-78.63	457.36	9.18	-69.45
C[C@H]1OCCN(C(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)[C@@H]1C(=O)[O-]	REAL300012524097	0	58	0.0	-84.82	427.54	7.88	-76.94
N#CCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524098	0	54	0.0	-79.87	427.62	7.23	-72.64
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012524099	0	53	0.0	-75.45	396.74	7.63	-67.82
CC(C)C[C@H](NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524100	0	62	0.0	-79.01	469.80	8.19	-70.82
CC(C)C[C@H](NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524100	1	62	0.0	-76.94	469.41	8.10	-68.84
C=CC(C)C(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524101	0	60	0.0	-76.55	459.93	7.98	-68.57
C=CC(C)C(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524101	1	60	0.0	-76.70	455.92	7.84	-68.86
CCCN(CC(=O)[O-])C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524102	0	59	0.0	-66.33	450.53	9.46	-56.87
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524102	1	59	0.0	-63.08	450.54	9.49	-53.59
CC(C)C(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524103	0	59	0.0	-77.91	442.22	7.20	-70.71
CC(C)C(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524103	1	59	0.0	-75.72	445.30	7.47	-68.25
O=C([O-])C1CCCCN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524104	0	60	0.0	-89.98	441.57	10.13	-79.85
O=C([O-])C1CCCCN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524104	1	60	0.0	-86.65	441.19	10.10	-76.55
O=C([O-])C1CCCN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524105	0	57	0.0	-85.20	430.23	8.87	-76.33
O=C([O-])C1CCCN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524105	1	57	0.0	-83.14	429.87	8.84	-74.30
O=C([O-])C1(NC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300012524106	0	60	0.0	-83.59	445.91	8.03	-75.56
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)CCCC1	REAL300012524106	1	60	0.0	-79.24	445.71	7.92	-71.32
O=C([O-])CNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524107	0	50	0.0	-67.92	388.48	5.04	-62.88
O=C([O-])CNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524107	1	50	0.0	-67.28	388.50	5.09	-62.19
CCC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524108	0	56	0.0	-78.89	431.10	6.89	-72.00
CCC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524108	1	56	0.0	-76.39	430.29	6.94	-69.45
CC(C)C(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524109	0	59	0.0	-77.91	442.22	7.20	-70.71
CC(C)C(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524109	1	59	0.0	-75.72	445.30	7.47	-68.25
CN(CC(=O)[O-])C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524110	0	53	0.0	-78.04	407.22	7.72	-70.32
CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524110	1	53	0.0	-75.74	407.24	7.76	-67.98
CC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524111	0	53	0.0	-68.40	409.10	5.90	-62.50
CC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524111	1	53	0.0	-68.01	409.29	5.91	-62.10
CCC(C)C(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524112	0	62	0.0	-78.89	464.21	8.13	-70.76
CCC(C)C(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524112	1	62	0.0	-76.88	460.70	7.87	-69.01
CN(CC(=O)[O-])C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524113	0	53	0.0	-78.04	407.22	7.72	-70.32
CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524113	1	53	0.0	-75.74	407.24	7.76	-67.98
O=C([O-])C1CCCCN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524114	0	60	0.0	-89.98	441.57	10.13	-79.85
O=C([O-])C1CCCCN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524114	1	60	0.0	-86.65	441.19	10.10	-76.55
CCCC(C)(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524115	0	62	0.0	-79.49	456.73	8.02	-71.47
CCCC(C)(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524115	1	62	0.0	-76.88	456.75	8.06	-68.82
CC(C)N(CC(=O)[O-])C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524116	0	59	0.0	-67.07	439.16	8.98	-58.09
CC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524116	1	59	0.0	-63.98	439.16	9.02	-54.96
O=C([O-])CN(C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012524117	0	57	0.0	-67.94	431.17	9.09	-58.85
O=C([O-])CN(C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C1CC1	REAL300012524117	1	57	0.0	-63.85	431.90	9.14	-54.71
C=CCN(CC(=O)[O-])C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524118	0	57	0.0	-66.18	441.84	9.26	-56.92
C=CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524118	1	57	0.0	-62.90	441.86	9.30	-53.60
CC(C)CN(CC(=O)[O-])C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524119	0	62	0.0	-65.83	464.94	9.76	-56.07
CC(C)CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524119	1	62	0.0	-63.07	465.20	10.01	-53.06
CC(C)(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524120	0	56	0.0	-66.84	421.85	6.27	-60.57
CC(C)(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524120	1	56	0.0	-66.30	421.86	6.31	-59.99
CC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1CC1	REAL300012524121	0	60	0.0	-81.32	444.74	8.01	-73.31
CC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)(C(=O)[O-])C1CC1	REAL300012524121	1	60	0.0	-77.55	445.26	8.09	-69.46
CC(C)N(CC(=O)[O-])C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524122	0	59	0.0	-67.07	439.16	8.98	-58.09
CC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524122	1	59	0.0	-63.98	439.16	9.02	-54.96
CCCN(CC(=O)[O-])C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524123	0	59	0.0	-66.33	450.53	9.46	-56.87
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524123	1	59	0.0	-63.08	450.54	9.49	-53.59
CCN(CC(=O)[O-])C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524124	0	56	0.0	-78.24	429.03	8.70	-69.54
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524124	1	56	0.0	-75.98	429.05	8.74	-67.24
CC[C@H](C)[C@H](NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524125	0	62	0.0	-79.15	459.96	7.75	-71.40
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524125	1	62	0.0	-77.47	461.94	7.76	-69.71
O=C([O-])C1(NC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300012524126	0	60	0.0	-83.59	445.91	8.03	-75.56
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)CCCC1	REAL300012524126	1	60	0.0	-79.24	445.71	7.92	-71.32
CCC(C)(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524127	0	59	0.0	-79.09	435.24	7.27	-71.82
CCC(C)(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524127	1	59	0.0	-76.57	435.25	7.31	-69.26
C[C@H](NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524128	0	53	0.0	-68.66	408.54	5.80	-62.86
C[C@H](NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524128	1	53	0.0	-67.76	409.79	5.95	-61.81
CCN(CC(=O)[O-])C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524129	0	56	0.0	-78.24	429.03	8.70	-69.54
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524129	1	56	0.0	-75.98	429.05	8.74	-67.24
C[C@@H](NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524130	0	53	0.0	-68.46	408.54	5.80	-62.66
C[C@@H](NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524130	1	53	0.0	-67.70	409.29	5.91	-61.79
O=C([O-])C1(NC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300012524131	0	54	0.0	-84.84	415.81	7.15	-77.69
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)CC1	REAL300012524131	1	54	0.0	-81.59	415.03	6.99	-74.60
O=C([O-])C1COCCN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524132	0	58	0.0	-86.30	432.72	7.57	-78.73
O=C([O-])C1COCCN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524132	1	58	0.0	-83.00	432.36	7.44	-75.56
O=C([O-])C(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012524133	0	57	0.0	-79.31	440.85	7.43	-71.88
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C1CC1	REAL300012524133	1	57	0.0	-77.65	438.00	7.47	-70.18
COCCN(CC(=O)[O-])C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524134	0	60	0.0	-67.11	460.40	7.88	-59.23
COCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524134	1	60	0.0	-63.72	460.42	7.92	-55.80
O=C([O-])[C@H]1CCCN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524135	0	57	0.0	-85.57	429.49	8.34	-77.23
O=C([O-])[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524135	1	57	0.0	-82.81	430.65	8.53	-74.28
O=C([O-])[C@H]1CCCCN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524136	0	60	0.0	-88.91	440.63	9.85	-79.06
O=C([O-])[C@H]1CCCCN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524136	1	60	0.0	-84.87	441.26	9.90	-74.97
C[C@H](C(=O)[O-])N(C)C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524137	0	56	0.0	-74.40	421.06	7.89	-66.51
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524137	1	56	0.0	-72.48	422.14	7.99	-64.49
O=C([O-])[C@@H]1CCCN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524138	0	57	0.0	-85.92	430.24	8.86	-77.06
O=C([O-])[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524138	1	57	0.0	-83.00	430.39	8.89	-74.11
O=C([O-])C1(NC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCC1	REAL300012524139	0	57	0.0	-84.01	432.61	7.67	-76.34
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)CCC1	REAL300012524139	1	57	0.0	-80.96	431.94	7.49	-73.47
C=CCC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524140	0	57	0.0	-78.52	444.38	7.34	-71.18
C=CCC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524140	1	57	0.0	-76.68	444.43	7.37	-69.31
CC1(C(=O)[O-])CCCN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524141	0	60	0.0	-85.07	446.92	9.36	-75.71
CC1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524141	1	60	0.0	-82.91	446.95	9.39	-73.52
O=C([O-])C(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012524142	0	57	0.0	-79.31	440.85	7.43	-71.88
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C1CC1	REAL300012524142	1	57	0.0	-77.65	438.00	7.47	-70.18
CC(C(=O)[O-])N(C)C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524143	0	56	0.0	-73.88	421.62	7.85	-66.03
CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524143	1	56	0.0	-73.66	421.07	7.93	-65.73
CCCCC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524144	0	62	0.0	-78.45	473.86	8.50	-69.95
CCCCC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524144	1	62	0.0	-76.29	473.28	8.49	-67.80
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524145	0	60	0.0	-85.05	446.93	9.36	-75.69
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524145	1	60	0.0	-82.92	446.96	9.38	-73.54
COCC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524146	0	57	0.0	-80.28	442.82	5.18	-75.10
COCC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524146	1	57	0.0	-78.08	442.49	5.15	-72.93
CC(C(=O)[O-])N(C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012524147	0	60	0.0	-67.02	447.85	9.35	-57.67
CC(C(=O)[O-])N(C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C1CC1	REAL300012524147	1	60	0.0	-66.06	447.45	9.44	-56.62
COCC(C)(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524148	0	60	0.0	-83.66	453.48	6.55	-77.11
COCC(C)(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524148	1	60	0.0	-81.02	453.50	6.59	-74.43
CC(C)CN(CC(=O)[O-])C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524149	0	62	0.0	-65.83	464.94	9.76	-56.07
CC(C)CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524149	1	62	0.0	-63.07	465.20	10.01	-53.06
O=C([O-])CN(C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012524150	0	57	0.0	-67.94	431.17	9.09	-58.85
O=C([O-])CN(C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C1CC1	REAL300012524150	1	57	0.0	-63.85	431.90	9.14	-54.71
O=C([O-])C1(NC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCOC1	REAL300012524151	0	58	0.0	-78.94	436.62	5.41	-73.53
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)CCOC1	REAL300012524151	1	58	0.0	-75.08	436.23	5.31	-69.77
C=CCCC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524152	0	60	0.0	-78.55	465.41	8.21	-70.34
C=CCCC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524152	1	60	0.0	-76.05	464.59	8.27	-67.78
O=C([O-])C(CF)NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524153	0	53	0.0	-66.62	412.89	5.88	-60.74
O=C([O-])C(CF)NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524153	1	53	0.0	-65.49	412.91	5.92	-59.57
CC(C(=O)[O-])N(C)C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524154	0	56	0.0	-73.88	421.62	7.85	-66.03
CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524154	1	56	0.0	-73.66	421.07	7.93	-65.73
CCC(CC)(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524155	0	62	0.0	-80.85	451.62	8.16	-72.69
CCC(CC)(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524155	1	62	0.0	-77.76	451.93	8.20	-69.56
CCC(C)N(CC(=O)[O-])C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524156	0	62	0.0	-65.77	459.75	10.03	-55.74
CCC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524156	1	62	0.0	-60.91	462.36	10.19	-50.72
O=C([O-])C(CC1CC1)NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524157	0	60	0.0	-78.64	462.98	8.39	-70.25
O=C([O-])C(CC1CC1)NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524157	1	60	0.0	-75.73	461.50	8.38	-67.35
COCCC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524158	0	60	0.0	-78.38	464.53	6.02	-72.36
COCCC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524158	1	60	0.0	-76.68	463.96	6.00	-70.68
O=C([O-])C(CC(F)F)NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524159	0	56	0.0	-77.84	443.45	7.17	-70.67
O=C([O-])C(CC(F)F)NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524159	1	56	0.0	-72.47	441.73	7.45	-65.02
CCCN(C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012524160	0	62	0.0	-79.74	463.49	10.18	-69.56
CCCN(C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012524160	1	62	0.0	-73.21	460.20	9.47	-63.74
O=C([O-])C(CCF)NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524161	0	56	0.0	-77.23	437.69	7.03	-70.20
O=C([O-])C(CCF)NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524161	1	56	0.0	-75.95	437.71	7.07	-68.88
CC(CCF)(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524162	0	59	0.0	-75.96	441.83	7.41	-68.55
CC(CCF)(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524162	1	59	0.0	-73.71	441.85	7.44	-66.27
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524163	0	56	0.0	-73.76	422.13	7.95	-65.81
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524163	1	56	0.0	-73.48	421.58	7.97	-65.51
O=C([O-])C12CC(C1)CN2C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524164	0	58	0.0	-90.95	437.50	9.51	-81.44
O=C([O-])C12CC(C1)CN2C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524164	1	58	0.0	-87.79	436.77	9.35	-78.44
CC(C)(C)[C@H](NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524165	0	62	0.0	-79.94	461.89	8.00	-71.94
CC(C)(C)[C@H](NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524165	1	62	0.0	-76.94	460.30	8.05	-68.89
C=C(C)CC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524166	0	60	0.0	-78.90	464.00	8.26	-70.64
C=C(C)CC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524166	1	60	0.0	-76.42	464.14	8.14	-68.28
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524167	0	57	0.0	-82.29	436.72	8.96	-73.33
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524167	1	57	0.0	-80.74	436.88	8.98	-71.76
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300012524168	0	58	0.0	-85.31	444.49	8.92	-76.39
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300012524168	1	58	0.0	-83.25	444.56	8.96	-74.29
CC(C)C[C@H](NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524169	0	62	0.0	-79.01	469.80	8.19	-70.82
CC(C)C[C@H](NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524169	1	62	0.0	-76.94	469.41	8.10	-68.84
O=C([O-])C(CC1CC1)NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524170	0	60	0.0	-78.64	462.98	8.39	-70.25
O=C([O-])C(CC1CC1)NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524170	1	60	0.0	-75.73	461.50	8.38	-67.35
CSCC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524171	0	57	0.0	-76.39	454.56	7.31	-69.08
CSCC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524171	1	57	0.0	-73.77	453.91	7.37	-66.40
COC[C@H](NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524172	0	57	0.0	-80.13	442.95	5.13	-75.00
COC[C@H](NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524172	1	57	0.0	-77.52	442.09	5.03	-72.49
CC[C@H](NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524173	0	56	0.0	-78.59	431.10	6.89	-71.70
CC[C@H](NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524173	1	56	0.0	-75.84	429.89	6.83	-69.01
O=C([O-])[C@H]1CCCN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524174	0	57	0.0	-85.57	429.49	8.34	-77.23
O=C([O-])[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524174	1	57	0.0	-82.81	430.65	8.53	-74.28
CCCC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524175	0	59	0.0	-78.54	452.36	7.72	-70.82
CCCC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524175	1	59	0.0	-76.38	451.78	7.70	-68.68
CC(C)[C@@H](NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524176	0	59	0.0	-79.37	448.14	7.47	-71.90
CC(C)[C@@H](NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524176	1	59	0.0	-76.77	448.16	7.50	-69.27
CCN(C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012524177	0	62	0.0	-82.82	455.82	9.67	-73.15
CCN(C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012524177	1	62	0.0	-79.09	455.85	9.72	-69.37
CCCN(C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012524178	0	62	0.0	-79.74	463.49	10.18	-69.56
CCCN(C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012524178	1	62	0.0	-73.21	460.20	9.47	-63.74
CN(C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012524179	0	59	0.0	-82.87	436.24	8.80	-74.07
CN(C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012524179	1	59	0.0	-79.12	436.35	8.82	-70.30
O=C([O-])[C@@H]1CCCN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524180	0	57	0.0	-85.92	430.24	8.86	-77.06
O=C([O-])[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524180	1	57	0.0	-83.00	430.39	8.89	-74.11
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524181	0	58	0.0	-87.48	442.26	5.17	-82.31
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524181	1	58	0.0	-84.64	442.41	5.19	-79.45
CCC[C@@H](NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524182	0	59	0.0	-78.05	451.63	7.64	-70.41
CCC[C@@H](NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524182	1	59	0.0	-75.76	452.20	7.57	-68.19
C=CCCC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524183	0	60	0.0	-78.55	465.41	8.21	-70.34
C=CCCC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524183	1	60	0.0	-76.05	464.59	8.27	-67.78
C[C@]1(C(=O)[O-])CCCN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524184	0	60	0.0	-85.54	447.33	9.42	-76.12
C[C@]1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524184	1	60	0.0	-82.04	447.47	9.44	-72.60
CC(C)[C@H](NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524185	0	59	0.0	-79.18	448.12	7.45	-71.73
CC(C)[C@H](NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524185	1	59	0.0	-75.58	445.80	7.51	-68.07
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524186	0	56	0.0	-73.76	422.13	7.95	-65.81
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524186	1	56	0.0	-73.48	421.58	7.97	-65.51
CCC[C@H](NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524187	0	59	0.0	-77.93	451.76	7.67	-70.26
CCC[C@H](NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524187	1	59	0.0	-76.54	452.21	7.57	-68.97
CCN(C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012524188	0	59	0.0	-74.53	438.80	8.73	-65.80
CCN(C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012524188	1	59	0.0	-77.26	442.04	9.48	-67.78
CC(CN(C)C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524189	0	59	0.0	-81.06	442.57	8.62	-72.44
CC(CN(C)C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524189	1	59	0.0	-77.46	441.47	8.39	-69.07
CC[C@H](C)[C@H](NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524190	0	62	0.0	-79.15	459.96	7.75	-71.40
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524190	1	62	0.0	-77.47	461.94	7.76	-69.71
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524191	0	59	0.0	-74.14	442.58	9.03	-65.11
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524191	1	59	0.0	-73.00	441.67	8.83	-64.17
COCCC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524192	0	60	0.0	-78.38	464.53	6.02	-72.36
COCCC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524192	1	60	0.0	-76.68	463.96	6.00	-70.68
CC1(C(NC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])CC1	REAL300012524193	0	60	0.0	-79.48	459.82	8.02	-71.46
CC1(C(NC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C(=O)[O-])CC1	REAL300012524193	1	60	0.0	-77.42	452.16	8.14	-69.28
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524194	0	58	0.0	-92.37	441.84	5.27	-87.10
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524194	1	58	0.0	-88.24	439.69	5.16	-83.08
O=C([O-])C(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CCC1	REAL300012524195	0	60	0.0	-80.06	457.87	7.94	-72.12
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C1CCC1	REAL300012524195	1	60	0.0	-76.09	450.38	7.75	-68.34
O=C([O-])C(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CCC1	REAL300012524196	0	60	0.0	-80.06	457.87	7.94	-72.12
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C1CCC1	REAL300012524196	1	60	0.0	-76.09	450.38	7.75	-68.34
CC1CCN(C(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300012524197	0	60	0.0	-86.61	451.60	9.18	-77.43
CC1CCN(C(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300012524197	1	60	0.0	-83.39	446.05	9.00	-74.39
C=CCC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524198	0	57	0.0	-78.52	444.38	7.34	-71.18
C=CCC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524198	1	57	0.0	-76.68	444.43	7.37	-69.31
O=C([O-])C1(NC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)COC1	REAL300012524199	0	55	0.0	-77.62	423.58	4.70	-72.92
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)COC1	REAL300012524199	1	55	0.0	-74.81	423.07	4.68	-70.13
CC(C)C(C)(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524200	0	62	0.0	-80.58	451.97	7.95	-72.63
CC(C)C(C)(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524200	1	62	0.0	-77.26	450.17	7.93	-69.33
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524201	0	58	0.0	-90.05	437.92	10.02	-80.03
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524201	1	58	0.0	-85.74	436.45	10.01	-75.73
CCC(C(=O)[O-])N(CC)C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524202	0	62	0.0	-75.09	455.81	9.70	-65.39
CCC(C(=O)[O-])N(CC)C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524202	1	62	0.0	-78.28	457.85	10.37	-67.91
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524203	0	57	0.0	-82.29	436.72	8.96	-73.33
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524203	1	57	0.0	-80.74	436.88	8.98	-71.76
O=C([O-])C1C2C=CC(C2)N1C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524204	0	59	0.0	-64.90	445.41	9.56	-55.34
O=C([O-])C1C2C=CC(C2)N1C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524204	1	59	0.0	-59.19	445.95	9.66	-49.53
CO[C@H](C)[C@H](NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524205	0	60	0.0	-80.12	459.89	6.06	-74.06
CO[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524205	1	60	0.0	-78.41	461.12	6.17	-72.24
CC1[C@@H](C)[C@@]1(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524206	0	60	0.0	-86.52	454.49	8.69	-77.83
CC1[C@@H](C)[C@@]1(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524206	1	60	0.0	-82.99	454.13	8.67	-74.32
CCCC(C(=O)[O-])N(C)C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524207	0	62	0.0	-74.54	463.57	9.69	-64.85
CCCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524207	1	62	0.0	-74.26	463.00	9.85	-64.41
CCOCC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524208	0	60	0.0	-80.68	464.68	6.15	-74.53
CCOCC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524208	1	60	0.0	-78.97	464.83	6.15	-72.82
N#CCCC(NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524209	0	57	0.0	-79.31	451.95	7.39	-71.92
N#CCCC(NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012524209	1	57	0.0	-78.51	451.97	7.43	-71.08
C[C@H](C(=O)[O-])N(C)C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012524210	0	56	0.0	-74.40	421.06	7.89	-66.51
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012524210	1	56	0.0	-72.48	422.14	7.99	-64.49
CC(C)C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524261	0	56	0.0	-75.36	418.32	8.54	-66.82
C=CCOCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524262	0	55	0.0	-77.01	426.48	6.97	-70.04
C=CC(C)C(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524263	0	54	0.0	-76.59	405.44	8.05	-68.54
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012524264	0	58	0.0	-76.55	429.89	7.22	-69.33
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012524265	0	54	0.0	-70.70	428.10	9.40	-61.30
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012524266	0	54	0.0	-70.68	437.99	9.85	-60.83
COC1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)C(C(=O)[O-])C1	REAL300012524267	0	58	0.0	-85.44	421.93	9.14	-76.30
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012524268	0	58	0.0	-74.65	424.33	7.00	-67.65
CC1CC[NH+](CCCCNC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012524269	0	57	0.0	-85.94	410.87	10.98	-74.96
CC1=CC(C(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])=CC=C1F	REAL300012524270	0	57	0.0	-73.69	442.75	9.95	-63.74
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012524271	0	59	0.0	-77.14	451.93	9.10	-68.04
CC1=CC(C)=CC(C(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012524272	0	60	0.0	-77.67	458.63	10.66	-67.01
CC1=CC=C(C(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1C	REAL300012524273	0	60	0.0	-78.17	454.41	10.45	-67.72
CC1=CC=CC(C(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1C	REAL300012524274	0	60	0.0	-79.15	450.17	10.26	-68.89
COC1=CC=C(C(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1F	REAL300012524275	0	58	0.0	-74.31	451.12	8.65	-65.66
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524276	0	53	0.0	-62.51	399.29	9.74	-52.77
CC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CCC(C)CC1)C1CCC1	REAL300012524277	0	57	0.0	-63.99	411.63	10.04	-53.95
CCCN(C(=O)NCCCC[NH+]1CCC(C)CC1)C(COC)C(=O)[O-]	REAL300012524278	0	60	0.0	-79.27	441.18	10.72	-68.55
CCCN(C(=O)NCCCC[NH+]1CCC(C)CC1)C(CC)C(=O)[O-]	REAL300012524279	0	59	0.0	-77.32	427.38	11.36	-65.96
CC(C)C(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524280	0	53	0.0	-74.62	390.99	7.48	-67.14
CC1CC[NH+](CCCCNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012524281	0	54	0.0	-85.71	389.95	10.36	-75.35
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012524282	0	54	0.0	-72.89	432.13	9.80	-63.09
CC1CC[NH+](CCCCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012524283	0	52	0.0	-82.56	389.78	10.22	-72.34
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012524284	0	57	0.0	-79.28	409.38	9.38	-69.90
CC1CC[NH+](CCCCNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012524285	0	51	0.0	-81.60	378.61	9.10	-72.50
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012524286	0	54	0.0	-79.33	394.87	8.29	-71.04
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012524287	0	60	0.0	-79.90	415.04	10.06	-69.84
CC1CC[NH+](CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012524288	0	57	0.0	-77.22	438.29	10.20	-67.02
CC1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012524289	0	57	0.0	-62.79	436.79	11.99	-50.80
CC1CC[NH+](CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012524290	0	54	0.0	-77.25	416.04	9.26	-67.99
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012524291	0	54	0.0	-77.24	415.99	9.24	-68.00
CC(C)C(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524292	0	53	0.0	-74.62	390.99	7.48	-67.14
CC1CC[NH+](CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012524293	0	57	0.0	-77.22	438.29	10.20	-67.02
CCC(C)C(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524294	0	56	0.0	-75.30	409.44	8.12	-67.18
CC1CC[NH+](CCCCNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012524295	0	54	0.0	-85.71	389.95	10.36	-75.35
CCCC(C)(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524296	0	56	0.0	-75.66	405.50	8.30	-67.36
CC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524297	0	53	0.0	-63.29	387.91	9.27	-54.02
CC1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012524298	0	51	0.0	-63.49	381.06	9.51	-53.98
C=CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524299	0	51	0.0	-62.22	390.60	9.55	-52.67
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524300	0	56	0.0	-61.86	413.71	10.05	-51.81
CC1CC[NH+](CCCCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012524301	0	58	0.0	-85.21	427.56	12.23	-72.98
CC1CC[NH+](CCCCNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012524302	0	54	0.0	-77.24	393.50	8.30	-68.94
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012524303	0	51	0.0	-74.94	407.38	8.41	-66.53
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012524304	0	57	0.0	-79.28	409.38	9.38	-69.90
CC1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012524305	0	57	0.0	-60.27	453.52	12.51	-47.76
CC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524306	0	53	0.0	-63.29	387.91	9.27	-54.02
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524307	0	53	0.0	-62.51	399.29	9.74	-52.77
CC[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524308	0	56	0.0	-75.71	410.38	8.18	-67.53
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012524309	0	54	0.0	-79.33	394.87	8.29	-71.04
CC1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012524310	0	57	0.0	-60.40	443.20	12.06	-48.34
CCC(C)(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524311	0	53	0.0	-75.36	384.00	7.54	-67.82
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012524312	0	58	0.0	-78.80	433.98	10.43	-68.37
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012524313	0	54	0.0	-76.43	426.63	9.47	-66.96
CC1CC[NH+](CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012524314	0	57	0.0	-77.63	423.82	10.03	-67.60
CCCCCCC(C)(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524315	0	65	0.0	-75.81	469.99	10.63	-65.18
CC1CC[NH+](CCCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012524316	0	60	0.0	-74.26	447.37	12.22	-62.04
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012524317	0	54	0.0	-72.89	432.13	9.80	-63.09
CC1CC[NH+](CCCCNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012524318	0	52	0.0	-82.10	381.12	7.69	-74.41
CC1CC[NH+](CCCCNC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012524319	0	60	0.0	-80.77	418.64	10.70	-70.07
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012524320	0	51	0.0	-76.80	386.24	7.67	-69.13
CC1CC[NH+](CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012524321	0	60	0.0	-63.48	459.20	12.77	-50.71
CC1CC[NH+](CCCCNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012524322	0	57	0.0	-75.34	427.15	11.13	-64.21
COCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524323	0	54	0.0	-63.14	409.17	8.17	-54.97
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012524324	0	58	0.0	-82.39	431.05	10.37	-72.02
CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012524325	0	51	0.0	-82.05	379.38	8.78	-73.27
CC1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012524326	0	54	0.0	-84.66	389.59	10.12	-74.54
CC1CC[NH+](CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012524327	0	51	0.0	-81.62	378.62	9.08	-72.54
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012524328	0	51	0.0	-80.36	381.11	7.88	-72.48
C=CCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524329	0	51	0.0	-74.32	392.34	7.64	-66.68
CC1CC[NH+](CCCCNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012524330	0	54	0.0	-81.51	395.69	9.65	-71.86
CC1CC[NH+](CCCCNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012524331	0	57	0.0	-83.22	402.96	10.65	-72.57
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012524332	0	51	0.0	-76.80	386.24	7.67	-69.13
CCCCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524333	0	56	0.0	-74.67	422.03	8.74	-65.93
CC1CC[NH+](CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012524334	0	60	0.0	-63.48	459.20	12.77	-50.71
CC1CC[NH+](CCCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012524335	0	54	0.0	-81.47	396.23	9.65	-71.82
CC1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012524336	0	57	0.0	-61.60	414.14	10.56	-51.04
COCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524337	0	51	0.0	-76.52	391.23	5.40	-71.12
CCCCCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524338	0	59	0.0	-75.26	444.36	9.50	-65.76
CCC1CCC(NC(=O)NCCCC[NH+]2CCC(C)CC2)(C(=O)[O-])CC1	REAL300012524339	0	63	0.0	-79.18	448.44	10.64	-68.54
CC1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012524340	0	58	0.0	-62.12	422.56	8.89	-53.23
CC1CC[NH+](CCCCNC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012524341	0	57	0.0	-81.94	405.31	9.99	-71.95
CC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CCC(C)CC1)C1CC1	REAL300012524342	0	54	0.0	-64.19	396.23	9.58	-54.61
CCC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CCC(C)CC1)C1CC1	REAL300012524343	0	57	0.0	-74.77	411.64	10.62	-64.15
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012524344	0	54	0.0	-78.84	427.98	9.68	-69.16
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012524345	0	54	0.0	-82.78	420.43	9.34	-73.44
CC1CC[NH+](CCCCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012524346	0	58	0.0	-65.14	430.94	11.68	-53.46
CC1CC[NH+](CCCCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012524347	0	57	0.0	-79.68	453.49	10.58	-69.10
CC1CC[NH+](CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012524348	0	63	0.0	-76.15	460.24	10.39	-65.76
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524349	0	60	0.0	-62.00	444.42	12.07	-49.93
CC1=CC=C(C(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012524350	0	57	0.0	-77.27	437.43	9.93	-67.34
CC1CC[NH+](CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012524351	0	50	0.0	-69.99	395.80	7.87	-62.12
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012524352	0	60	0.0	-78.71	462.02	11.53	-67.18
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012524353	0	55	0.0	-75.26	407.08	9.08	-66.18
COCC(C)(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524354	0	54	0.0	-79.60	402.24	6.83	-72.77
CCOCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524355	0	57	0.0	-72.74	422.00	8.55	-64.19
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524356	0	56	0.0	-61.86	413.71	10.05	-51.81
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524357	0	63	0.0	-60.13	464.86	13.34	-46.79
CC1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012524358	0	51	0.0	-63.49	381.06	9.51	-53.98
CC1CC[NH+](CCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012524359	0	53	0.0	-61.98	417.42	10.12	-51.86
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012524360	0	52	0.0	-75.08	385.51	5.67	-69.41
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012524361	0	60	0.0	-76.93	432.94	9.46	-67.47
CC1CC[NH+](CCCCNC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012524362	0	61	0.0	-73.60	449.51	10.00	-63.60
CC1CC[NH+](CCCCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012524363	0	61	0.0	-84.58	455.11	13.18	-71.40
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012524364	0	55	0.0	-78.30	400.81	6.89	-71.41
C=CCCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524365	0	54	0.0	-75.06	414.17	8.50	-66.56
CC1CC[NH+](CCCCNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012524366	0	47	0.0	-63.74	361.65	6.17	-57.57
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524367	0	60	0.0	-56.95	446.11	12.98	-43.97
CCC(CC)(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524368	0	56	0.0	-76.58	400.67	8.43	-68.15
COC1=CC=C(C(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012524369	0	58	0.0	-76.26	444.89	8.58	-67.68
CCC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524370	0	56	0.0	-60.52	411.11	10.44	-50.08
CCC(COC)(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524371	0	57	0.0	-81.00	418.92	7.73	-73.27
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524372	0	60	0.0	-73.42	441.72	9.32	-64.10
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012524373	0	57	0.0	-79.99	425.92	5.38	-74.61
CC1CC[NH+](CCCCNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012524374	0	54	0.0	-74.70	410.65	8.76	-65.94
COCCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524375	0	54	0.0	-75.51	413.54	6.24	-69.27
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524376	0	59	0.0	-72.94	429.04	10.75	-62.19
CC1CC[NH+](CCCCNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012524377	0	50	0.0	-74.62	392.21	7.46	-67.16
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524378	0	60	0.0	-84.18	430.40	11.59	-72.59
CCCN(C(=O)NCCCC[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012524379	0	56	0.0	-57.99	410.33	10.57	-47.42
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524380	0	60	0.0	-76.58	447.55	12.76	-63.82
CCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012524381	0	60	0.0	-78.47	440.79	10.93	-67.54
COC1CCCC(C(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])C1	REAL300012524382	0	64	0.0	-81.30	466.05	8.38	-72.92
CC1CC[NH+](CCCCNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012524383	0	50	0.0	-73.92	386.45	7.32	-66.60
COC1(CC(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])CCC1	REAL300012524384	0	61	0.0	-77.81	451.60	8.18	-69.63
CC1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012524385	0	58	0.0	-62.12	422.56	8.89	-53.23
CC1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012524386	0	60	0.0	-62.17	431.52	11.27	-50.90
CC1CC[NH+](CCCCNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012524387	0	60	0.0	-79.55	423.62	9.79	-69.76
COC1=CC=CC(C(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012524388	0	58	0.0	-78.96	444.90	8.57	-70.39
CC1CC[NH+](CCCCNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012524389	0	53	0.0	-72.26	390.59	7.69	-64.57
CC1CC[NH+](CCCCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012524390	0	55	0.0	-66.89	412.78	9.74	-57.15
CC1CC[NH+](CCCCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012524391	0	51	0.0	-75.30	392.37	8.94	-66.36
COC1=CC=CC([C@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012524392	0	58	0.0	-78.95	444.89	8.57	-70.38
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCC[NH+]2CCC(C)CC2)C1	REAL300012524393	0	60	0.0	-83.69	444.65	10.97	-72.72
COC1=CC=CC(CC(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012524394	0	61	0.0	-75.90	467.50	9.55	-66.35
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012524395	0	63	0.0	-80.53	437.29	10.27	-70.26
CC1CC[NH+](CCCCNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012524396	0	52	0.0	-87.24	385.93	9.72	-77.52
COC1CN(C(=O)NCCCC[NH+]2CCC(C)CC2)C(C)(C(=O)[O-])C1	REAL300012524397	0	58	0.0	-81.62	429.02	8.62	-73.00
CC1CC[NH+](CCCCNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012524398	0	61	0.0	-75.43	451.26	8.01	-67.42
CC1CC[NH+](CCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012524399	0	56	0.0	-75.34	409.04	8.30	-67.04
C=C(Cl)CC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524400	0	51	0.0	-75.33	408.30	8.25	-67.08
C=C(C)CC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524401	0	54	0.0	-74.91	412.62	8.38	-66.53
CC1CC[NH+](CCCCNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012524402	0	55	0.0	-89.14	400.41	10.54	-78.60
CC1CC[NH+](CCCCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012524403	0	60	0.0	-75.39	447.83	10.45	-64.94
CC1CC[NH+](CCCCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012524404	0	51	0.0	-75.29	392.39	8.94	-66.35
CC1CC[NH+](CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012524405	0	51	0.0	-79.11	385.58	9.20	-69.91
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CCC(C)CC2)C1	REAL300012524406	0	52	0.0	-81.92	392.80	9.16	-72.76
CC1CC[NH+](CCCCNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012524407	0	61	0.0	-76.46	451.08	8.06	-68.40
CC(C)C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524408	0	56	0.0	-75.36	418.32	8.54	-66.82
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012524409	0	58	0.0	-76.55	429.89	7.22	-69.33
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012524410	0	54	0.0	-77.24	415.99	9.24	-68.00
CC1CC[NH+](CCCCNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012524411	0	54	0.0	-74.70	410.65	8.76	-65.94
CC1CC[NH+](CCCCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012524412	0	53	0.0	-73.67	424.00	7.37	-66.30
CC(C)CCCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524413	0	62	0.0	-74.70	461.09	10.04	-64.66
CC1CC[NH+](CCCCNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012524414	0	58	0.0	-79.62	435.81	7.63	-71.99
CSCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524415	0	51	0.0	-73.16	403.33	7.59	-65.57
COC[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524416	0	51	0.0	-76.56	391.25	5.42	-71.14
CC1CC[NH+](CCCCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012524417	0	57	0.0	-74.89	444.70	10.27	-64.62
CCC(C)CC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524418	0	59	0.0	-75.73	436.79	9.13	-66.60
C=CCCCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524419	0	57	0.0	-74.27	434.84	9.31	-64.96
CC1CC[NH+](CCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012524420	0	57	0.0	-74.25	443.81	10.27	-63.98
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012524421	0	60	0.0	-81.30	456.93	11.41	-69.89
CC1CC[NH+](CCCCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012524422	0	52	0.0	-82.56	389.78	10.22	-72.34
CC1CC[NH+](CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012524423	0	57	0.0	-77.63	423.82	10.03	-67.60
CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012524424	0	51	0.0	-82.05	379.38	8.78	-73.27
CCCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524425	0	53	0.0	-75.41	401.36	7.94	-67.47
CC(C)[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524426	0	53	0.0	-74.85	394.98	7.79	-67.06
CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012524427	0	55	0.0	-87.71	400.14	10.66	-77.05
CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)C(C)(C)C(=O)[O-]	REAL300012524428	0	56	0.0	-78.68	404.59	9.97	-68.71
CCCN(C(=O)NCCCC[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012524429	0	56	0.0	-57.99	410.33	10.57	-47.42
CC1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012524430	0	50	0.0	-70.52	392.41	9.50	-61.02
CC1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012524431	0	50	0.0	-70.52	392.41	9.50	-61.02
CC1CC[NH+](CCCCNC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012524432	0	53	0.0	-78.72	385.09	9.06	-69.66
CC1CC[NH+](CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012524433	0	51	0.0	-81.62	378.62	9.08	-72.54
CC1CC[NH+](CCCCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012524434	0	63	0.0	-63.13	466.13	7.47	-55.66
CC1CC[NH+](CCCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012524435	0	52	0.0	-83.77	391.09	5.42	-78.35
CC1CC[NH+](CCCCNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012524436	1	67	0.0	-63.07	484.94	6.95	-56.12
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524437	0	58	0.0	-60.82	434.41	12.02	-48.80
CC1CC[NH+](CCCCNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012524438	0	61	0.0	-65.51	443.46	12.35	-53.16
CCC[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524439	0	53	0.0	-75.40	401.36	7.95	-67.45
CC1CC[NH+](CCCCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012524440	0	59	0.0	-74.90	435.71	10.38	-64.52
CC1CC[NH+](CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012524441	0	54	0.0	-77.25	416.04	9.26	-67.99
CC1CC[NH+](CCCCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012524442	0	59	0.0	-76.70	455.91	9.26	-67.44
C=CCCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524443	0	54	0.0	-75.06	414.17	8.50	-66.56
CC1CC[NH+](CCCCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012524444	0	53	0.0	-78.06	424.57	7.25	-70.81
CC1CC[NH+](CCCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012524445	0	54	0.0	-71.85	444.33	9.00	-62.85
CC1CC[NH+](CCCCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012524446	0	54	0.0	-90.92	409.12	6.65	-84.27
CC1CC[NH+](CCCCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012524447	0	55	0.0	-76.56	406.88	8.34	-68.22
CC1CC[NH+](CCCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012524448	0	54	0.0	-81.43	396.18	9.67	-71.76
CC(C)[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524449	0	53	0.0	-75.79	392.55	7.50	-68.29
CC1CC[NH+](CCCCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012524450	0	54	0.0	-76.66	415.39	9.28	-67.38
CC1CC[NH+](CCCCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012524451	0	57	0.0	-78.88	425.48	8.58	-70.30
CCC[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524452	0	53	0.0	-74.75	400.53	7.96	-66.79
CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012524453	0	53	0.0	-76.62	390.64	9.70	-66.92
CC1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012524454	0	57	0.0	-61.60	414.14	10.56	-51.04
CC(CN(C)C(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524455	0	53	0.0	-74.96	391.09	8.67	-66.29
CC[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524456	0	56	0.0	-75.71	410.38	8.18	-67.53
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524457	0	53	0.0	-72.30	390.29	9.17	-63.13
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012524458	0	55	0.0	-80.60	413.26	5.18	-75.42
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524459	0	63	0.0	-78.13	463.86	8.45	-69.68
CC1CCC(NC(=O)NCCCC[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012524460	0	57	0.0	-79.61	415.93	8.92	-70.69
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012524461	0	60	0.0	-80.52	423.80	9.53	-70.99
COCCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524462	0	54	0.0	-75.51	413.54	6.24	-69.27
CC1CC[NH+](CCCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012524463	0	60	0.0	-74.26	447.37	12.22	-62.04
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012524464	0	57	0.0	-81.02	417.19	9.59	-71.43
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012524465	0	54	0.0	-77.15	401.32	8.52	-68.63
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524466	0	63	0.0	-77.09	463.72	8.47	-68.62
CC1CC[NH+](CCCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012524467	0	52	0.0	-88.64	391.10	5.58	-83.06
CC1CC[NH+](CCCCNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012524468	0	62	0.0	-66.54	458.17	12.79	-53.75
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012524469	0	55	0.0	-73.11	412.58	6.32	-66.79
CC1CC[NH+](CCCCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012524470	0	55	0.0	-85.74	401.04	10.25	-75.49
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012524471	0	58	0.0	-84.13	447.70	9.39	-74.74
CC1CC[NH+](CCCCNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012524472	0	53	0.0	-82.85	393.25	7.91	-74.94
CC1CC[NH+](CCCCNC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012524473	0	57	0.0	-85.12	410.79	10.95	-74.17
CC(C1=CC=CC=C1)C(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524474	0	60	0.0	-76.82	445.67	10.25	-66.57
CC1CC[NH+](CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012524475	0	61	0.0	-74.95	447.86	11.05	-63.90
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012524476	0	54	0.0	-76.48	400.00	8.06	-68.42
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012524477	0	67	0.0	-77.98	473.27	9.94	-68.04
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012524478	0	60	0.0	-76.93	432.94	9.46	-67.47
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012524479	0	54	0.0	-76.48	400.00	8.06	-68.42
CC1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)C1C(=O)[O-]	REAL300012524480	0	54	0.0	-82.66	394.80	9.25	-73.41
C=CCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524481	0	51	0.0	-74.32	392.34	7.64	-66.68
CC1CC[NH+](CCCCNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012524482	0	61	0.0	-74.88	451.86	8.98	-65.90
CC1CC[NH+](CCCCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012524483	0	61	0.0	-56.01	430.21	11.03	-44.98
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012524484	0	61	0.0	-79.24	429.89	8.20	-71.04
CC1=CC=CC2=C1CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)C2C(=O)[O-]	REAL300012524485	0	61	0.0	-67.20	448.37	12.22	-54.98
CC1CC[NH+](CCCCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012524486	0	55	0.0	-60.36	402.10	10.13	-50.23
CC1CC[NH+](CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012524487	0	61	0.0	-74.95	447.86	11.05	-63.90
CC1CC[NH+](CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012524488	0	57	0.0	-78.34	444.71	10.27	-68.07
COC1CC(NC(=O)NCCCC[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012524489	0	55	0.0	-82.37	414.45	6.86	-75.51
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012524490	0	51	0.0	-78.27	389.42	7.92	-70.35
CO[C@H]1C[C@](NC(=O)NCCCC[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012524491	0	55	0.0	-78.14	413.75	7.17	-70.97
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012524492	0	54	0.0	-77.83	419.98	8.93	-68.90
CCC1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524493	0	57	0.0	-82.30	411.52	10.79	-71.51
CC1CC[NH+](CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012524494	0	50	0.0	-69.99	395.80	7.87	-62.12
CC1CC[NH+](CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012524495	0	58	0.0	-77.29	433.43	7.26	-70.03
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012524496	0	49	0.0	-73.99	371.81	4.93	-69.06
CC1CC[NH+](CCCCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012524497	0	54	0.0	-76.03	429.33	9.27	-66.76
COCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012524498	0	61	0.0	-77.09	457.00	9.25	-67.84
CC(C)C(C)(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524499	0	56	0.0	-76.43	400.73	8.23	-68.20
CC1CC[NH+](CCCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012524500	0	52	0.0	-84.96	385.15	10.24	-74.72
CC1CC[NH+](CCCCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012524501	0	55	0.0	-83.56	402.32	9.87	-73.69
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524502	0	60	0.0	-76.58	447.55	12.76	-63.82
CC1CC[NH+](CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012524503	0	63	0.0	-76.15	460.24	10.39	-65.76
CC1CC[NH+](CCCCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012524504	0	60	0.0	-75.81	460.43	10.98	-64.83
CC1CC[NH+](CCCCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012524505	0	60	0.0	-76.03	461.03	11.03	-65.00
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012524506	0	61	0.0	-76.83	440.31	9.84	-66.99
CC1CC[NH+](CCCCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012524507	0	63	0.0	-75.75	459.97	10.46	-65.29
CC1CC[NH+](CCCCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012524508	0	63	0.0	-75.69	459.99	10.46	-65.23
CC1CC[NH+](CCCCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012524509	0	61	0.0	-59.96	441.28	11.01	-48.95
CC1CC[NH+](CCCCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012524510	0	61	0.0	-83.94	436.56	10.89	-73.05
COC1=CC=C(CC(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012524511	0	61	0.0	-77.97	467.79	9.49	-68.48
C=CCSCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524512	0	55	0.0	-73.17	437.61	9.04	-64.13
CC1CC[NH+](CCCCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012524513	0	58	0.0	-75.91	459.11	10.59	-65.32
CCC(C(=O)[O-])N(CC)C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524514	0	56	0.0	-77.75	406.59	10.64	-67.11
COC1(C(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])CCC1	REAL300012524515	0	58	0.0	-72.80	426.80	6.81	-65.99
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012524516	0	60	0.0	-79.77	441.79	10.21	-69.56
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012524517	0	61	0.0	-80.25	447.28	11.33	-68.92
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012524518	0	54	0.0	-81.44	413.23	8.69	-72.75
CC(C)C1=CC=C(C(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012524520	0	63	0.0	-76.42	476.01	11.26	-65.16
CC1CC[NH+](CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012524521	0	51	0.0	-79.11	385.58	9.20	-69.91
CC1CC[NH+](CCCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012524522	0	53	0.0	-60.04	394.70	9.91	-50.13
CC1CC[NH+](CCCCNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012524523	0	57	0.0	-83.78	414.76	9.73	-74.05
CCOC1=CC=C(C(NC(=O)NCCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012524524	0	61	0.0	-76.22	467.13	9.55	-66.67
CC1CC[NH+](CCCCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012524525	0	61	0.0	-84.56	435.15	11.76	-72.80
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012524526	0	61	0.0	-76.95	458.37	11.31	-65.64
CC1CC[NH+](CCCCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012524527	0	61	0.0	-81.60	458.46	10.30	-71.30
CC1CC[NH+](CCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012524528	0	57	0.0	-78.75	451.42	10.19	-68.56
CC(C)CCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524529	0	59	0.0	-74.86	439.59	9.26	-65.60
CC1CC[NH+](CCCCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012524530	0	58	0.0	-59.77	425.50	10.58	-49.19
CC1CC[NH+](CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012524531	0	58	0.0	-77.29	433.43	7.26	-70.03
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CCC(C)CC2)C1	REAL300012524532	0	55	0.0	-79.49	422.36	10.30	-69.19
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012524533	0	58	0.0	-79.06	417.94	9.77	-69.29
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012524534	0	55	0.0	-80.96	402.36	9.12	-71.84
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012524535	0	58	0.0	-79.40	423.61	9.51	-69.89
CC1CC[NH+](CCCCNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012524536	0	60	0.0	-74.19	446.86	12.11	-62.08
CC1CC[NH+](CCCCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012524537	0	64	0.0	-59.56	454.55	11.56	-48.00
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012524538	0	57	0.0	-76.65	416.33	8.67	-67.98
CO[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524539	0	54	0.0	-76.47	409.73	6.48	-69.99
CC1[C@@H](C)[C@@]1(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524540	0	54	0.0	-82.35	403.34	8.94	-73.41
CC1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012524541	0	57	0.0	-62.79	436.79	11.99	-50.80
CC1CC[NH+](CCCCNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012524542	0	57	0.0	-59.89	418.44	9.89	-50.00
CC1CC[NH+](CCCCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012524543	0	54	0.0	-81.82	400.80	10.19	-71.63
CC1CC[NH+](CCCCNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012524544	0	51	0.0	-84.62	390.29	9.23	-75.39
CC1CC[NH+](CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012524545	0	57	0.0	-78.34	444.71	10.27	-68.07
CC1CC[NH+](CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012524546	0	54	0.0	-75.54	429.12	9.13	-66.41
CC1CC[NH+](CCCCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012524547	0	54	0.0	-74.33	407.81	9.76	-64.57
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012524548	0	58	0.0	-80.05	443.05	9.92	-70.13
CC1CC[NH+](CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012524549	0	54	0.0	-75.54	429.12	9.13	-66.41
CC1CC[NH+](CCCCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012524550	0	58	0.0	-84.38	416.43	10.17	-74.21
COCCCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524551	0	57	0.0	-74.29	434.20	7.03	-67.26
CCCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300012524552	0	56	0.0	-72.09	411.74	10.10	-61.99
CCOCC(NC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012524553	0	54	0.0	-76.91	413.09	6.38	-70.53
CC1CC[NH+](CCCCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012524554	0	59	0.0	-75.57	430.45	9.63	-65.94
CC1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012524555	0	58	0.0	-78.42	431.11	7.74	-70.68
CC1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012524556	0	58	0.0	-78.80	433.98	10.43	-68.37
CC1CC[NH+](CCCCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012524557	0	55	0.0	-83.78	401.28	8.66	-75.12
CC1CC[NH+](CCCCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012524558	0	57	0.0	-76.19	421.88	10.09	-66.10
CC1CC[NH+](CCCCNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012524559	0	51	0.0	-75.72	399.88	7.69	-68.03
CC1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012524560	0	54	0.0	-64.06	412.83	9.89	-54.17
CC1CC[NH+](CCCCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012524561	0	65	0.0	-83.56	451.93	10.67	-72.89
CC1CC[NH+](CCCCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012524562	0	56	0.0	-76.04	449.87	8.91	-67.13
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CCC(C)CC2)C1	REAL300012524563	0	58	0.0	-82.52	434.92	8.78	-73.74
CC(C)C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524564	0	51	0.0	-77.05	388.62	5.50	-71.55
C=CCOCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524565	0	50	0.0	-78.81	397.35	3.97	-74.84
C=CC(C)C(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524566	0	49	0.0	-78.69	376.32	5.05	-73.64
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1CCOCC1	REAL300012524567	0	53	0.0	-81.17	395.23	3.95	-77.22
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1=CC=C(F)C(F)=C1	REAL300012524568	0	49	0.0	-72.95	399.37	6.44	-66.51
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1=CC=C(Cl)C(F)=C1	REAL300012524569	0	49	0.0	-73.27	409.50	6.80	-66.47
COC1CCN(C(=O)NCCCC[NH+]2CCOCC2)C(C(=O)[O-])C1	REAL300012524570	0	53	0.0	-87.32	392.80	6.13	-81.19
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1CCCOC1	REAL300012524571	0	53	0.0	-75.90	394.63	4.07	-71.83
CC1CCN(C(=O)NCCCC[NH+]2CCOCC2)C(C(=O)[O-])C1	REAL300012524572	0	52	0.0	-87.75	381.75	7.98	-79.77
CC1=CC(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])=CC=C1F	REAL300012524573	0	52	0.0	-75.53	413.38	7.02	-68.51
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1=CC=C2OCCC2=C1	REAL300012524574	0	54	0.0	-78.88	422.56	6.16	-72.72
CC1=CC(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])=CC(C)=C1	REAL300012524575	0	55	0.0	-80.10	429.74	7.57	-72.53
CC1=CC=C(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])C=C1C	REAL300012524576	0	55	0.0	-79.68	425.07	7.52	-72.16
COC1=CC=C(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])C=C1Cl	REAL300012524577	0	53	0.0	-78.26	432.18	6.17	-72.09
CC1=CC=CC(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])=C1C	REAL300012524578	0	55	0.0	-79.58	419.76	7.36	-72.22
COC1=CC=C(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])C=C1F	REAL300012524579	0	53	0.0	-79.17	422.61	5.60	-73.57
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCOCC1	REAL300012524580	0	48	0.0	-64.36	370.17	6.74	-57.62
CC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CCOCC1)C1CCC1	REAL300012524581	0	52	0.0	-66.00	382.50	7.03	-58.97
CCCN(C(=O)NCCCC[NH+]1CCOCC1)C(COC)C(=O)[O-]	REAL300012524582	0	55	0.0	-80.96	412.15	7.72	-73.24
CCCN(C(=O)NCCCC[NH+]1CCOCC1)C(CC)C(=O)[O-]	REAL300012524583	0	54	0.0	-79.35	398.95	8.36	-70.99
CC(C)C(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524584	0	48	0.0	-76.55	361.86	4.48	-72.07
O=C([O-])C1CCCCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524585	0	49	0.0	-87.56	360.83	7.34	-80.22
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1=CC=C(Cl)C=C1	REAL300012524586	0	49	0.0	-75.32	403.60	6.77	-68.55
O=C([O-])C1CSCCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524587	0	47	0.0	-84.52	360.65	7.20	-77.32
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CCCCC1	REAL300012524588	0	52	0.0	-81.27	380.25	6.37	-74.90
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CCCC1	REAL300012524589	0	49	0.0	-81.55	365.16	5.24	-76.31
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CCCCCC1	REAL300012524590	0	55	0.0	-81.90	385.92	7.06	-74.84
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524591	0	52	0.0	-78.83	408.93	7.25	-71.58
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524592	0	52	0.0	-64.65	407.66	8.99	-55.66
O=C([O-])[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C1=CC=CC=C1	REAL300012524593	0	49	0.0	-78.93	386.68	6.33	-72.60
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1=CC=CC=C1	REAL300012524594	0	49	0.0	-79.09	386.89	6.24	-72.85
CC(C)C(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524595	0	48	0.0	-76.55	361.86	4.48	-72.07
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524596	0	52	0.0	-78.83	408.93	7.25	-71.58
CCC(C)C(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524597	0	51	0.0	-78.25	381.98	5.13	-73.12
O=C([O-])C1CCCCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524598	0	49	0.0	-87.56	360.83	7.34	-80.22
CCCC(C)(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524599	0	51	0.0	-77.43	376.38	5.31	-72.12
CC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCOCC1	REAL300012524600	0	48	0.0	-65.20	358.79	6.26	-58.94
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCOCC1	REAL300012524601	0	51	0.0	-63.71	384.58	7.04	-56.67
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524602	0	53	0.0	-87.09	398.44	9.22	-77.87
CC(NC(=O)NCCCC[NH+]1CCOCC1)(C(=O)[O-])C1CC1	REAL300012524603	0	49	0.0	-79.14	364.37	5.30	-73.84
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1=CC=CS1	REAL300012524604	0	46	0.0	-77.22	378.50	5.32	-71.90
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CCCCC1	REAL300012524605	0	52	0.0	-81.27	380.25	6.37	-74.90
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524606	0	52	0.0	-62.20	424.40	9.51	-52.69
CC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCOCC1	REAL300012524607	0	48	0.0	-65.20	358.79	6.26	-58.94
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCOCC1	REAL300012524608	0	48	0.0	-64.36	370.17	6.74	-57.62
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524609	0	56	0.0	-79.77	437.36	7.28	-72.49
CC[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524610	0	51	0.0	-78.25	381.98	5.13	-73.12
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CCCC1	REAL300012524611	0	49	0.0	-81.55	365.16	5.24	-76.31
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524612	0	52	0.0	-62.32	414.08	9.06	-53.26
CCC(C)(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524613	0	48	0.0	-77.18	354.88	4.55	-72.63
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CC2=CC=CC=C2C1	REAL300012524614	0	53	0.0	-80.70	404.85	7.42	-73.28
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1=CC(F)=CC=C1F	REAL300012524615	0	49	0.0	-79.22	397.75	6.41	-72.81
CC(NC(=O)NCCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012524616	0	52	0.0	-79.51	394.69	7.02	-72.49
CCCCCCC(C)(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524617	0	60	0.0	-77.56	440.87	7.64	-69.92
CN(C(=O)NCCCC[NH+]1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012524618	0	55	0.0	-76.40	418.24	9.21	-67.19
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1=CC=C(Cl)C=C1	REAL300012524619	0	49	0.0	-75.32	403.60	6.77	-68.55
O=C([O-])C1COCCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524620	0	47	0.0	-83.93	351.99	4.69	-79.24
CN(C(=O)NCCCC[NH+]1CCOCC1)C1(C(=O)[O-])CCCCC1	REAL300012524621	0	55	0.0	-82.56	389.50	7.69	-74.87
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524622	0	55	0.0	-65.40	430.07	9.76	-55.64
CN(C(=O)NCCCC[NH+]1CCOCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012524623	0	52	0.0	-76.22	394.17	7.81	-68.41
COCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCOCC1	REAL300012524624	0	49	0.0	-65.10	380.04	5.17	-59.93
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CCC2=CC=CC=C21	REAL300012524625	0	53	0.0	-84.06	401.92	7.37	-76.69
O=C([O-])[C@H]1CCCCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524626	0	49	0.0	-86.19	360.36	7.10	-79.09
CC1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524627	0	49	0.0	-83.48	366.63	6.62	-76.86
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524628	0	56	0.0	-85.47	442.82	7.19	-78.28
O=C([O-])C1CCCCCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524629	0	52	0.0	-86.23	373.65	7.72	-78.51
CCCCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524630	0	51	0.0	-77.17	393.74	5.73	-71.44
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524631	0	55	0.0	-65.40	430.07	9.76	-55.64
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524632	0	49	0.0	-83.28	366.65	6.62	-76.66
O=C([O-])CN(C(=O)NCCCC[NH+]1CCOCC1)C1CCCC1	REAL300012524633	0	52	0.0	-64.00	385.01	7.54	-56.46
COCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524634	0	46	0.0	-78.78	362.60	2.42	-76.36
CCCCCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524635	0	54	0.0	-77.09	415.23	6.51	-70.58
CCC1CCC(NC(=O)NCCCC[NH+]2CCOCC2)(C(=O)[O-])CC1	REAL300012524636	0	58	0.0	-81.08	419.33	7.63	-73.45
O=C([O-])CN(C(=O)NCCCC[NH+]1CCOCC1)C1CCOCC1	REAL300012524637	0	53	0.0	-64.43	393.45	5.88	-58.55
CN(C(=O)NCCCC[NH+]1CCOCC1)C1(C(=O)[O-])CCCC1	REAL300012524638	0	52	0.0	-83.67	376.19	6.98	-76.69
CC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CCOCC1)C1CC1	REAL300012524639	0	49	0.0	-66.14	367.11	6.56	-59.58
CCC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CCOCC1)C1CC1	REAL300012524640	0	52	0.0	-76.41	382.69	7.73	-68.68
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1=CC=CC=C1Cl	REAL300012524641	0	49	0.0	-80.12	397.65	6.70	-73.42
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1=CC=CC=C1F	REAL300012524642	0	49	0.0	-84.63	391.30	6.33	-78.30
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524643	0	53	0.0	-67.38	401.82	8.66	-58.72
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524644	0	52	0.0	-75.34	419.42	7.22	-68.12
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524645	0	58	0.0	-82.90	452.83	9.24	-73.66
O=C([O-])C(CC1CCCCC1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524646	0	58	0.0	-77.56	430.86	7.44	-70.12
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCOCC1	REAL300012524647	0	55	0.0	-63.97	415.29	9.05	-54.92
CC1=CC=C(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012524648	0	52	0.0	-79.01	408.06	6.99	-72.02
O=C([O-])C(CC(F)(F)F)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524649	0	45	0.0	-71.20	365.84	4.89	-66.31
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1=CC2=CC=CC=C2C=C1	REAL300012524650	0	55	0.0	-80.32	432.65	8.57	-71.75
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CCSCC1	REAL300012524651	0	50	0.0	-77.28	377.96	6.08	-71.20
COCC(C)(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524652	0	49	0.0	-81.51	373.12	3.84	-77.67
CCOCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524653	0	52	0.0	-74.59	393.37	5.64	-68.95
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCOCC1	REAL300012524654	0	51	0.0	-63.71	384.58	7.04	-56.67
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCOCC1	REAL300012524655	0	58	0.0	-62.12	435.73	10.32	-51.80
O=C([O-])CN(CCC(F)(F)F)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524656	0	48	0.0	-63.95	388.30	7.12	-56.83
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CCOC1	REAL300012524657	0	47	0.0	-76.98	356.26	2.68	-74.30
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1CCCCC1	REAL300012524658	0	55	0.0	-78.91	403.81	6.46	-72.45
CN(C(=O)NCCCC[NH+]1CCOCC1)C(COC1CCC1)C(=O)[O-]	REAL300012524659	0	56	0.0	-75.86	420.05	6.93	-68.93
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524660	0	56	0.0	-86.82	424.86	10.36	-76.46
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CCOCC1	REAL300012524661	0	50	0.0	-80.13	371.68	3.88	-76.25
C=CCCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524662	0	49	0.0	-76.91	385.05	5.51	-71.40
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524663	0	55	0.0	-59.34	416.98	9.97	-49.37
CCC(CC)(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524664	0	51	0.0	-78.55	371.26	5.44	-73.11
COC1=CC=C(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012524665	0	53	0.0	-78.68	416.37	5.54	-73.14
CCC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCOCC1	REAL300012524666	0	51	0.0	-62.47	381.98	7.43	-55.04
CCC(COC)(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524667	0	52	0.0	-82.78	389.79	4.74	-78.04
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524668	0	55	0.0	-74.80	413.15	6.30	-68.50
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CCS(=O)(=O)CC1	REAL300012524669	0	52	0.0	-81.99	396.79	2.38	-79.61
O=C([O-])C(CC1CC1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524670	0	49	0.0	-76.57	381.52	5.76	-70.81
COCCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524671	0	49	0.0	-77.33	384.41	3.24	-74.09
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524672	0	54	0.0	-74.89	399.92	7.74	-67.15
O=C([O-])C(CC(F)F)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524673	0	45	0.0	-75.94	362.25	4.47	-71.47
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524674	0	55	0.0	-85.98	401.27	8.58	-77.40
CCCN(C(=O)NCCCC[NH+]1CCOCC1)C(C)C(=O)[O-]	REAL300012524675	0	51	0.0	-59.57	380.83	7.61	-51.96
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524676	0	55	0.0	-78.62	418.42	9.75	-68.87
CCC(NC(=O)NCCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012524677	0	55	0.0	-76.91	428.34	8.42	-68.49
CCC(NC(=O)NCCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012524678	0	55	0.0	-80.27	411.56	7.89	-72.38
COC1CCCC(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])C1	REAL300012524679	0	59	0.0	-83.41	436.92	5.38	-78.03
O=C([O-])C(CCF)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524680	0	45	0.0	-75.86	357.33	4.32	-71.54
COC1(CC(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])CCC1	REAL300012524681	0	56	0.0	-79.80	422.48	5.18	-74.62
O=C([O-])CN(C(=O)NCCCC[NH+]1CCOCC1)C1CCOCC1	REAL300012524682	0	53	0.0	-64.43	393.45	5.88	-58.55
O=C([O-])CN(C(=O)NCCCC[NH+]1CCOCC1)C1CCCCC1	REAL300012524683	0	55	0.0	-64.51	402.39	8.26	-56.25
C[C@H]1CC[C@@](NC(=O)NCCCC[NH+]2CCOCC2)(C(=O)[O-])CC1	REAL300012524684	0	55	0.0	-81.51	394.05	6.76	-74.75
COC1=CC=CC(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300012524685	0	53	0.0	-80.87	415.77	5.56	-75.31
CC(CCF)(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524686	0	48	0.0	-74.13	361.47	4.69	-69.44
O=C([O-])C1C2=C(CCN1C(=O)NCCCC[NH+]1CCOCC1)OC=C2	REAL300012524687	0	50	0.0	-68.79	383.65	6.72	-62.07
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524688	0	46	0.0	-77.21	362.73	5.90	-71.31
COC1=CC=CC([C@H](NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300012524689	0	53	0.0	-81.32	416.37	5.52	-75.80
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCC[NH+]2CCOCC2)C1	REAL300012524690	0	55	0.0	-85.59	415.53	7.95	-77.64
COC1=CC=CC(CC(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300012524691	0	56	0.0	-77.77	438.38	6.54	-71.23
CC1(C)CCCC(NC(=O)NCCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300012524692	0	58	0.0	-82.46	408.16	7.25	-75.21
O=C([O-])C12CC(C1)CN2C(=O)NCCCC[NH+]1CCOCC1	REAL300012524693	0	47	0.0	-89.06	356.80	6.71	-82.35
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524694	0	55	0.0	-76.77	429.02	7.89	-68.88
CC(NC(=O)NCCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012524695	0	54	0.0	-75.07	422.91	7.69	-67.38
COC1CN(C(=O)NCCCC[NH+]2CCOCC2)C(C)(C(=O)[O-])C1	REAL300012524696	0	53	0.0	-83.70	399.89	5.61	-78.09
O=C([O-])C(CC1CCCOC1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524697	0	56	0.0	-77.49	422.13	5.00	-72.49
CC(C)(C)[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524698	0	51	0.0	-77.24	379.92	5.29	-71.95
C=C(Cl)CC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524699	0	46	0.0	-77.73	380.00	5.23	-72.50
C=C(C)CC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524700	0	49	0.0	-77.37	384.62	5.38	-71.99
O=C([O-])C12CCC(CC1)N2C(=O)NCCCC[NH+]1CCOCC1	REAL300012524701	0	50	0.0	-91.00	371.28	7.53	-83.47
CC(CC1=CC=C(F)C=C1)(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524702	0	55	0.0	-77.40	418.70	7.44	-69.96
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524703	0	46	0.0	-76.81	362.45	6.24	-70.57
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524704	0	46	0.0	-81.13	356.00	6.17	-74.96
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CCOCC2)C1	REAL300012524705	0	47	0.0	-83.71	363.73	6.13	-77.58
O=C([O-])C(CC1CCOCC1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524706	0	56	0.0	-77.20	417.75	5.70	-71.50
CC(C)C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524707	0	51	0.0	-77.05	388.62	5.50	-71.55
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1CCOCC1	REAL300012524708	0	53	0.0	-81.17	395.23	3.95	-77.22
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1=CC=CC=C1	REAL300012524709	0	49	0.0	-79.09	386.89	6.24	-72.85
O=C([O-])C(CC1CC1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524710	0	49	0.0	-76.57	381.52	5.76	-70.81
O=C([O-])C(CC1=CN=CS1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524711	0	48	0.0	-76.23	395.70	4.36	-71.87
CC(C)CCCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524712	0	57	0.0	-76.53	431.97	7.03	-69.50
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524713	0	55	0.0	-81.47	438.64	7.64	-73.83
O=C([O-])C(CC1CCCO1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524714	0	53	0.0	-81.55	406.69	4.61	-76.94
CSCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524715	0	46	0.0	-75.05	374.21	4.60	-70.45
COC[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524716	0	46	0.0	-78.83	362.60	2.41	-76.42
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524717	0	52	0.0	-76.94	415.52	7.25	-69.69
CCC(C)CC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524718	0	54	0.0	-76.94	406.84	6.14	-70.80
C=CCCCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524719	0	52	0.0	-76.79	406.55	6.29	-70.50
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524720	0	52	0.0	-76.34	415.28	7.31	-69.03
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1=CC=CC2=CC=CC=C21	REAL300012524721	0	55	0.0	-82.64	426.78	8.43	-74.21
O=C([O-])C1CSCCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524722	0	47	0.0	-84.52	360.65	7.20	-77.32
CC(NC(=O)NCCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012524723	0	52	0.0	-79.51	394.69	7.02	-72.49
CCCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524724	0	48	0.0	-77.21	372.24	4.95	-72.26
CC(C)[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524725	0	48	0.0	-77.26	362.18	4.57	-72.69
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCCCC[NH+]1CCOCC1	REAL300012524726	0	50	0.0	-89.80	371.14	7.62	-82.18
CCN(C(=O)NCCCC[NH+]1CCOCC1)C(C)(C)C(=O)[O-]	REAL300012524727	0	51	0.0	-80.65	375.46	6.96	-73.69
CCCN(C(=O)NCCCC[NH+]1CCOCC1)C(C)C(=O)[O-]	REAL300012524728	0	51	0.0	-59.57	380.83	7.61	-51.96
O=C([O-])CN(CC(F)(F)F)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524729	0	45	0.0	-72.58	363.28	6.50	-66.08
O=C([O-])CN(CC(F)(F)F)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524730	0	45	0.0	-72.58	363.28	6.50	-66.08
CN(C(=O)NCCCC[NH+]1CCOCC1)C(C)(C)C(=O)[O-]	REAL300012524731	0	48	0.0	-80.67	355.97	6.05	-74.62
O=C([O-])CN(CCN1CCOCC1)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524732	0	58	0.0	-65.01	437.01	4.46	-60.55
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524733	0	47	0.0	-85.82	361.52	2.38	-83.44
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCCN2CCOCC2)CC1	REAL300012524734	1	62	0.0	-59.83	457.39	4.20	-55.63
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCCC[NH+]1CCOCC1	REAL300012524735	0	53	0.0	-62.70	405.28	9.02	-53.68
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCCC[NH+]2CCOCC2)[C@H]1C(=O)[O-]	REAL300012524736	0	56	0.0	-67.52	413.87	9.32	-58.20
CCC[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524737	0	48	0.0	-77.04	371.99	5.00	-72.04
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524738	0	54	0.0	-76.86	406.58	7.37	-69.49
O=C([O-])[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C1=CC=CC=C1	REAL300012524739	0	49	0.0	-78.93	386.68	6.33	-72.60
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524740	0	54	0.0	-79.11	427.02	6.19	-72.92
C=CCCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524741	0	49	0.0	-76.91	385.05	5.51	-71.40
O=C([O-])C(CC1=NC=CS1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524742	0	48	0.0	-80.17	395.45	4.25	-75.92
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524743	0	49	0.0	-73.13	414.38	6.02	-67.11
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524744	0	49	0.0	-92.76	380.00	3.64	-89.12
CN1CC(C(=O)[O-])N(C(=O)NCCCC[NH+]2CCOCC2)CC1=O	REAL300012524745	0	50	0.0	-78.45	377.53	5.36	-73.09
C[C@]1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524746	0	49	0.0	-83.55	366.08	6.60	-76.95
CC(C)[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524747	0	48	0.0	-77.61	363.43	4.50	-73.11
O=C([O-])[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)C1=CC=CC=C1	REAL300012524748	0	49	0.0	-78.48	386.27	6.26	-72.22
CC(CN1C=CC=N1)(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524749	0	52	0.0	-80.77	396.34	5.57	-75.20
CCC[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524750	0	48	0.0	-77.21	372.24	4.95	-72.26
CCN(C(=O)NCCCC[NH+]1CCOCC1)C(C)C(=O)[O-]	REAL300012524751	0	48	0.0	-78.66	361.66	6.72	-71.94
O=C([O-])CN(C(=O)NCCCC[NH+]1CCOCC1)C1CCCC1	REAL300012524752	0	52	0.0	-64.00	385.01	7.54	-56.46
CC(CN(C)C(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524753	0	48	0.0	-76.96	361.09	5.64	-71.32
CC[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524754	0	51	0.0	-78.25	381.98	5.13	-73.12
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524755	0	48	0.0	-73.38	361.71	6.20	-67.18
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CC(CO)C1	REAL300012524756	0	50	0.0	-82.41	384.13	2.17	-80.24
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524757	0	58	0.0	-80.04	434.19	5.43	-74.61
CC1CCC(NC(=O)NCCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300012524758	0	52	0.0	-81.55	386.81	5.90	-75.65
CC1(C)CCCC1(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524759	0	55	0.0	-82.39	394.68	6.53	-75.86
COCCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524760	0	49	0.0	-77.33	384.41	3.24	-74.09
CN(C(=O)NCCCC[NH+]1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012524761	0	55	0.0	-76.40	418.24	9.21	-67.19
CC1(C)CC(NC(=O)NCCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300012524762	0	52	0.0	-82.80	388.30	6.60	-76.20
CC1CCC(NC(=O)NCCCC[NH+]2CCOCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012524763	0	59	0.0	-84.44	435.87	8.61	-75.83
CC1(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])CC1	REAL300012524764	0	49	0.0	-79.30	372.20	5.51	-73.79
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524765	0	58	0.0	-79.79	435.28	5.41	-74.38
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524766	0	47	0.0	-89.69	360.14	2.59	-87.10
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524767	0	57	0.0	-68.38	429.08	9.80	-58.58
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1CCOC1	REAL300012524768	0	50	0.0	-75.72	385.27	3.30	-72.42
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCCCC[NH+]1CCOCC1	REAL300012524769	0	50	0.0	-87.52	371.45	7.21	-80.31
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1=CNC2=CC=CC=C12	REAL300012524770	0	53	0.0	-87.11	418.81	6.31	-80.80
O=C([O-])C12COC(CN1C(=O)NCCCC[NH+]1CCOCC1)C2	REAL300012524771	0	48	0.0	-84.52	364.10	4.89	-79.63
CC1CCC(C(=O)[O-])N(C(=O)NCCCC[NH+]2CCOCC2)C1	REAL300012524772	0	52	0.0	-87.03	381.67	7.92	-79.11
CC(C1=CC=CC=C1)C(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524773	0	55	0.0	-77.45	424.06	7.51	-69.94
O=C([O-])C(CC1CC=CCC1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524774	0	56	0.0	-77.47	418.98	7.96	-69.51
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1CCC1	REAL300012524775	0	49	0.0	-77.98	370.40	5.12	-72.86
CC1(C)CC(NC(=O)NCCCC[NH+]2CCOCC2)(C(=O)[O-])CC(C)(C)O1	REAL300012524776	0	62	0.0	-79.99	444.14	6.94	-73.05
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1CCCCC1	REAL300012524777	0	55	0.0	-78.91	403.81	6.46	-72.45
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1CCC1	REAL300012524778	0	49	0.0	-77.98	370.40	5.12	-72.86
CC1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1C(=O)[O-]	REAL300012524779	0	49	0.0	-84.64	365.67	6.25	-78.39
O=C([O-])C(CC1CCCCO1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524780	0	56	0.0	-81.01	424.94	5.35	-75.66
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524781	0	56	0.0	-58.38	400.63	7.99	-50.39
CC1(C)CC(NC(=O)NCCCC[NH+]2CCOCC2)(C(=O)[O-])CCO1	REAL300012524782	0	56	0.0	-81.17	400.78	5.18	-75.99
CC1=CC=CC2=C1CCN(C(=O)NCCCC[NH+]1CCOCC1)C2C(=O)[O-]	REAL300012524783	0	56	0.0	-69.14	419.24	9.22	-59.92
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524784	0	50	0.0	-62.66	372.49	7.10	-55.56
O=C([O-])C(CC1CC=CCC1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524785	0	56	0.0	-77.47	418.98	7.96	-69.51
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524786	0	52	0.0	-80.04	415.34	7.32	-72.72
COC1CC(NC(=O)NCCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300012524787	0	50	0.0	-84.25	385.33	3.86	-80.39
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CC(F)(F)C1	REAL300012524788	0	46	0.0	-80.09	360.29	4.90	-75.19
CO[C@H]1C[C@](NC(=O)NCCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300012524789	0	50	0.0	-80.04	383.84	4.15	-75.89
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1(C(F)(F)F)CC1	REAL300012524790	0	49	0.0	-79.14	388.71	5.94	-73.20
CCC1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524791	0	52	0.0	-84.35	382.39	7.77	-76.58
O=C([O-])C(CC(F)(F)F)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524792	0	45	0.0	-71.20	365.84	4.89	-66.31
O=C([O-])C(CC1CCOC1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524793	0	53	0.0	-77.02	405.39	4.29	-72.73
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)COC1	REAL300012524794	0	44	0.0	-75.96	342.69	1.93	-74.03
O=C([O-])C(CC1=CC=CS1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524795	0	49	0.0	-78.50	401.04	6.25	-72.25
COCC(NC(=O)NCCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012524796	0	56	0.0	-78.77	427.66	6.21	-72.56
CC(C)C(C)(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524797	0	51	0.0	-78.21	371.61	5.24	-72.97
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524798	0	47	0.0	-87.96	357.17	7.23	-80.73
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524799	0	50	0.0	-85.43	372.74	6.84	-78.59
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524800	0	55	0.0	-78.62	418.42	9.75	-68.87
O=C([O-])C(CC1CCCCC1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524801	0	58	0.0	-77.56	430.86	7.44	-70.12
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524802	0	55	0.0	-77.68	431.31	7.96	-69.72
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524803	0	55	0.0	-78.12	431.90	8.03	-70.09
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1CC2CCC1C2	REAL300012524804	0	56	0.0	-80.26	413.02	6.82	-73.44
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524805	0	58	0.0	-77.81	430.84	7.46	-70.35
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524806	0	58	0.0	-77.99	431.12	7.36	-70.63
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524807	0	56	0.0	-61.81	412.16	7.99	-53.82
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524808	0	56	0.0	-85.72	407.04	7.85	-77.87
COC1=CC=C(CC(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012524809	0	56	0.0	-79.65	438.42	6.55	-73.10
C=CCSCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524810	0	50	0.0	-75.10	408.49	6.05	-69.05
N#CC1=CC=C(CC(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012524811	0	53	0.0	-77.97	429.98	7.58	-70.39
CCC(C(=O)[O-])N(CC)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524812	0	51	0.0	-79.71	377.46	7.61	-72.10
COC1(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])CCC1	REAL300012524813	0	53	0.0	-74.48	398.33	3.83	-70.65
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CCC(C(F)F)CC1	REAL300012524814	0	55	0.0	-81.71	412.66	7.21	-74.50
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CCC2=CC=CC=C2C1	REAL300012524815	0	56	0.0	-82.02	418.18	8.31	-73.71
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CC(C(F)F)C1	REAL300012524816	0	49	0.0	-83.29	384.10	5.68	-77.61
CC(C)(C)C1=CC=C(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012524818	0	61	0.0	-78.67	463.11	8.58	-70.09
CC(C)C1=CC=C(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012524819	0	58	0.0	-78.68	447.11	8.16	-70.52
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524820	0	46	0.0	-81.13	356.00	6.17	-74.96
O=C([O-])C1C2C=CC(C2)N1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524821	0	48	0.0	-61.90	365.57	6.90	-55.00
CC1(C)CCN(C(=O)NCCCC[NH+]2CCOCC2)C1C(=O)[O-]	REAL300012524822	0	52	0.0	-85.72	385.64	6.73	-78.99
CCOC1=CC=C(C(NC(=O)NCCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012524823	0	56	0.0	-78.13	438.01	6.53	-71.60
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524824	0	56	0.0	-86.41	406.03	8.76	-77.65
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1CCC2=CC=CC=C21	REAL300012524825	0	56	0.0	-79.07	429.24	8.30	-70.77
CC(COC1=CC=CC=C1)(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524826	0	56	0.0	-83.58	429.33	7.29	-76.29
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524827	0	52	0.0	-80.85	422.89	7.23	-73.62
CC(C)CCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524828	0	54	0.0	-77.29	411.30	6.24	-71.05
O=C([O-])C1CC2(CCC2)CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524829	0	53	0.0	-62.17	396.38	7.57	-54.60
O=C([O-])C(CC1CCOC1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524830	0	53	0.0	-77.02	405.39	4.29	-72.73
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CCOCC2)C1	REAL300012524831	0	50	0.0	-81.32	392.78	7.27	-74.05
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CCCC2CC21	REAL300012524832	0	53	0.0	-81.08	388.81	6.76	-74.32
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CCC2CC21	REAL300012524833	0	50	0.0	-82.74	373.23	6.12	-76.62
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CC2(CCC2)C1	REAL300012524834	0	53	0.0	-81.26	394.49	6.50	-74.76
CN(C(=O)NCCCC[NH+]1CCOCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012524835	0	55	0.0	-77.33	419.70	9.14	-68.19
O=C([O-])C1CC2(CN1C(=O)NCCCC[NH+]1CCOCC1)CCCCC2	REAL300012524836	0	59	0.0	-62.02	425.43	8.55	-53.47
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1CCCC1	REAL300012524837	0	52	0.0	-78.53	387.21	5.65	-72.88
CO[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524838	0	49	0.0	-78.31	380.60	3.47	-74.84
CC1[C@@H](C)[C@@]1(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524839	0	49	0.0	-84.21	373.75	5.90	-78.31
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524840	0	52	0.0	-64.65	407.66	8.99	-55.66
CC1(C)CC(C(=O)[O-])N(C(=O)NCCCC[NH+]2CCOCC2)C1	REAL300012524841	0	52	0.0	-62.24	389.35	6.87	-55.37
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524842	0	53	0.0	-64.17	413.82	8.66	-55.51
O=C([O-])C1CC(F)(F)CCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524843	0	49	0.0	-83.95	371.85	7.20	-76.75
O=C([O-])C1N(C(=O)NCCCC[NH+]2CCOCC2)CCC1(F)F	REAL300012524844	0	46	0.0	-86.37	361.17	6.22	-80.15
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524845	0	52	0.0	-80.04	415.34	7.32	-72.72
O=C([O-])C(CC1=CSC=C1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524846	0	49	0.0	-77.24	399.75	6.18	-71.06
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524847	0	49	0.0	-76.25	378.68	6.76	-69.49
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CC2(CC(F)(F)C2)C1	REAL300012524848	0	53	0.0	-81.94	413.91	6.91	-75.03
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524849	0	57	0.0	-82.19	437.74	8.54	-73.65
O=C([O-])C(CC1=CSC=C1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524850	0	49	0.0	-77.24	399.75	6.18	-71.06
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524851	0	53	0.0	-86.59	387.94	7.45	-79.14
COCCCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524852	0	52	0.0	-76.82	405.91	4.02	-72.80
CCCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524853	0	51	0.0	-73.98	382.62	7.09	-66.89
CCOCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524854	0	49	0.0	-79.17	384.45	3.39	-75.78
CC(C)(C)CC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524855	0	54	0.0	-77.68	401.33	6.62	-71.06
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C1CCCCO1	REAL300012524856	0	53	0.0	-80.28	401.98	4.72	-75.56
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCOCC2)CC2=CC=CC=C2C1	REAL300012524857	0	53	0.0	-80.70	404.85	7.42	-73.28
C[C@H]1OCCN(C(=O)NCCCC[NH+]2CCOCC2)[C@@H]1C(=O)[O-]	REAL300012524858	0	50	0.0	-83.92	371.52	5.32	-78.60
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524859	0	52	0.0	-78.34	392.29	7.06	-71.28
N#CCCC(NC(=O)NCCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012524860	0	46	0.0	-77.62	370.76	4.69	-72.93
O=C([O-])C(NC(=O)NCCCC[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300012524861	0	63	0.0	-81.71	442.61	8.34	-73.37
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524862	0	55	0.0	-80.32	434.47	7.54	-72.78
O=C([O-])CN(CC1=CC=CO1)C(=O)NCCCC[NH+]1CCOCC1	REAL300012524863	0	49	0.0	-66.39	383.73	6.88	-59.51
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCCCC[NH+]1CCOCC1	REAL300012524864	0	60	0.0	-85.44	422.80	7.66	-77.78
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCCCC[NH+]1CCOCC1	REAL300012524865	0	51	0.0	-78.26	420.99	5.83	-72.43
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CCOCC2)C1	REAL300012524866	0	53	0.0	-84.40	405.34	5.75	-78.65
CC(C)C[C@H](NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524867	0	56	0.0	-73.59	408.09	8.09	-65.50
CC(C)C[C@H](NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524867	1	56	0.0	-73.17	407.27	8.12	-65.05
C=CCOCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524868	0	55	0.0	-74.22	422.76	6.86	-67.36
C=CCOCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524868	1	55	0.0	-75.56	415.88	6.60	-68.96
C=CC(C)C(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524869	0	54	0.0	-72.59	400.93	7.90	-64.69
C=CC(C)C(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524869	1	54	0.0	-74.09	401.71	7.94	-66.15
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012524870	0	58	0.0	-75.69	420.05	6.94	-68.75
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012524870	1	58	0.0	-74.33	419.43	6.80	-67.53
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012524871	0	54	0.0	-68.84	418.01	9.03	-59.81
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012524871	1	54	0.0	-69.27	418.30	8.95	-60.32
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012524872	0	54	0.0	-69.21	428.14	9.40	-59.81
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012524872	1	54	0.0	-69.20	428.18	9.40	-59.80
COC1CCN(C(=O)NCCCC[N@@H+]2CCCCC2C)C(C(=O)[O-])C1	REAL300012524873	0	58	0.0	-84.41	412.00	8.95	-75.46
COC1CCN(C(=O)NCCCC[N@H+]2CCCCC2C)C(C(=O)[O-])C1	REAL300012524873	1	58	0.0	-83.03	411.51	8.68	-74.35
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012524874	0	58	0.0	-71.44	424.14	7.17	-64.27
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012524874	1	58	0.0	-73.31	419.33	6.84	-66.47
CC1CCN(C(=O)NCCCC[N@@H+]2CCCCC2C)C(C(=O)[O-])C1	REAL300012524875	0	57	0.0	-82.40	393.12	10.00	-72.40
CC1CCN(C(=O)NCCCC[N@H+]2CCCCC2C)C(C(=O)[O-])C1	REAL300012524875	1	57	0.0	-83.15	407.17	10.88	-72.27
CC1=CC(C(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])=CC=C1F	REAL300012524876	0	57	0.0	-70.53	438.43	9.87	-60.66
CC1=CC(C(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])=CC=C1F	REAL300012524876	1	57	0.0	-71.42	432.08	9.61	-61.81
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012524877	0	59	0.0	-74.01	448.22	8.98	-65.03
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012524877	1	59	0.0	-74.98	441.50	8.67	-66.31
CC1=CC(C)=CC(C(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])=C1	REAL300012524878	0	60	0.0	-74.80	454.50	10.49	-64.31
CC1=CC(C)=CC(C(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])=C1	REAL300012524878	1	60	0.0	-75.94	448.36	10.15	-65.79
CC1=CC=C(C(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])C=C1C	REAL300012524879	0	60	0.0	-74.86	450.10	10.37	-64.49
CC1=CC=C(C(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])C=C1C	REAL300012524879	1	60	0.0	-75.74	443.76	10.11	-65.63
CC1=CC=CC(C(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])=C1C	REAL300012524880	0	60	0.0	-74.92	445.14	10.26	-64.66
CC1=CC=CC(C(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])=C1C	REAL300012524880	1	60	0.0	-75.52	438.29	9.95	-65.57
COC1=CC=C(C(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])C=C1F	REAL300012524881	0	58	0.0	-72.92	441.28	8.21	-64.71
COC1=CC=C(C(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])C=C1F	REAL300012524881	1	58	0.0	-71.54	447.40	8.54	-63.00
CCCN(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524882	0	53	0.0	-60.45	388.85	9.33	-51.12
CCCN(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524882	1	53	0.0	-60.40	388.82	9.32	-51.08
CC(C(=O)[O-])N(C(=O)NCCCC[N@@H+]1CCCCC1C)C1CCC1	REAL300012524883	0	57	0.0	-55.54	397.22	10.41	-45.13
CC(C(=O)[O-])N(C(=O)NCCCC[N@H+]1CCCCC1C)C1CCC1	REAL300012524883	1	57	0.0	-55.13	404.46	10.67	-44.46
CCCN(C(=O)NCCCC[N@@H+]1CCCCC1C)C(COC)C(=O)[O-]	REAL300012524884	0	60	0.0	-71.90	426.62	8.92	-62.98
CCCN(C(=O)NCCCC[N@H+]1CCCCC1C)C(COC)C(=O)[O-]	REAL300012524884	1	60	0.0	-75.73	431.16	10.27	-65.46
CCCN(C(=O)NCCCC[N@@H+]1CCCCC1C)C(CC)C(=O)[O-]	REAL300012524885	0	59	0.0	-70.12	415.61	10.29	-59.83
CCCN(C(=O)NCCCC[N@H+]1CCCCC1C)C(CC)C(=O)[O-]	REAL300012524885	1	59	0.0	-71.04	415.98	10.33	-60.71
CC(C)C(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524886	0	53	0.0	-72.98	381.43	7.15	-65.83
CC(C)C(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524886	1	53	0.0	-72.61	387.59	7.48	-65.13
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012524887	0	54	0.0	-83.33	379.75	9.90	-73.43
CC1CCCC[N@H+]1CCCCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012524887	1	54	0.0	-83.55	379.62	9.96	-73.59
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012524888	0	54	0.0	-70.80	429.02	9.67	-61.13
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012524888	1	54	0.0	-70.37	428.41	9.69	-60.68
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012524889	0	52	0.0	-80.26	386.30	10.17	-70.09
CC1CCCC[N@H+]1CCCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012524889	1	52	0.0	-80.66	386.51	10.23	-70.43
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012524890	0	57	0.0	-76.68	405.66	9.29	-67.39
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012524890	1	57	0.0	-76.69	405.66	9.28	-67.41
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCCC1C(=O)[O-]	REAL300012524891	0	51	0.0	-78.83	374.88	8.99	-69.84
CC1CCCC[N@H+]1CCCCNC(=O)N1CCCC1C(=O)[O-]	REAL300012524891	1	51	0.0	-79.85	368.97	8.36	-71.49
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012524892	0	54	0.0	-76.85	391.12	8.20	-68.65
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012524892	1	54	0.0	-77.13	384.40	7.88	-69.25
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012524893	0	60	0.0	-77.26	411.31	9.95	-67.31
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012524893	1	60	0.0	-77.81	404.57	9.64	-68.17
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012524894	0	57	0.0	-74.39	434.52	10.09	-64.30
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012524894	1	57	0.0	-75.12	427.83	9.77	-65.35
CC1CCCC[N@@H+]1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012524895	0	57	0.0	-58.73	420.23	11.28	-47.45
CC1CCCC[N@H+]1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012524895	1	57	0.0	-60.92	426.28	11.57	-49.35
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012524896	0	54	0.0	-74.23	412.08	9.22	-65.01
CC1CCCC[N@H+]1CCCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012524896	1	54	0.0	-74.84	405.33	8.91	-65.93
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012524897	0	54	0.0	-74.23	412.08	9.22	-65.01
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012524897	1	54	0.0	-75.12	405.59	8.83	-66.29
CC(C)C(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524898	0	53	0.0	-72.98	381.43	7.15	-65.83
CC(C)C(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524898	1	53	0.0	-72.61	387.59	7.48	-65.13
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012524899	0	57	0.0	-74.39	434.52	10.09	-64.30
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012524899	1	57	0.0	-75.12	427.83	9.77	-65.35
CCC(C)C(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524900	0	56	0.0	-74.38	404.38	7.97	-66.41
CCC(C)C(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524900	1	56	0.0	-73.90	406.80	8.05	-65.85
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012524901	0	54	0.0	-83.33	379.75	9.90	-73.43
CC1CCCC[N@H+]1CCCCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012524901	1	54	0.0	-83.55	379.62	9.96	-73.59
CCCC(C)(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524902	0	56	0.0	-73.37	395.04	7.88	-65.49
CCCC(C)(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524902	1	56	0.0	-72.77	401.78	8.20	-64.57
CC(C)N(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524903	0	53	0.0	-59.38	377.62	8.84	-50.54
CC(C)N(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524903	1	53	0.0	-59.27	377.63	8.83	-50.44
CC1CCCC[N@@H+]1CCCCNC(=O)N(CC(=O)[O-])C1CC1	REAL300012524904	0	51	0.0	-60.99	377.34	9.40	-51.59
CC1CCCC[N@H+]1CCCCNC(=O)N(CC(=O)[O-])C1CC1	REAL300012524904	1	51	0.0	-73.64	372.26	8.96	-64.68
C=CCN(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524905	0	51	0.0	-59.91	375.16	8.91	-51.00
C=CCN(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524905	1	51	0.0	-60.65	380.17	9.13	-51.52
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524906	0	56	0.0	-59.86	403.27	9.64	-50.22
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524906	1	56	0.0	-58.59	396.84	9.38	-49.21
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012524907	0	58	0.0	-83.56	417.49	11.91	-71.65
CC1CCCC[N@H+]1CCCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012524907	1	58	0.0	-84.23	417.96	12.12	-72.11
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012524908	0	54	0.0	-73.62	389.73	8.20	-65.42
CC1CCCC[N@H+]1CCCCNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012524908	1	54	0.0	-74.26	383.02	7.88	-66.38
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012524909	0	51	0.0	-72.46	403.68	8.30	-64.16
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012524909	1	51	0.0	-72.96	396.94	7.99	-64.97
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012524910	0	57	0.0	-76.68	405.66	9.29	-67.39
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012524910	1	57	0.0	-76.69	405.66	9.28	-67.41
CC1CCCC[N@@H+]1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012524911	0	57	0.0	-57.93	449.77	12.40	-45.53
CC1CCCC[N@H+]1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012524911	1	57	0.0	-58.30	443.05	12.09	-46.21
CC(C)N(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524912	0	53	0.0	-59.38	377.62	8.84	-50.54
CC(C)N(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524912	1	53	0.0	-59.27	377.63	8.83	-50.44
CCCN(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524913	0	53	0.0	-60.45	388.85	9.33	-51.12
CCCN(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524913	1	53	0.0	-60.40	388.82	9.32	-51.08
CC[C@H](C)[C@H](NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524914	0	56	0.0	-73.06	399.00	7.69	-65.37
CC[C@H](C)[C@H](NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524914	1	56	0.0	-72.50	405.73	8.01	-64.49
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012524915	0	54	0.0	-76.85	391.12	8.20	-68.65
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012524915	1	54	0.0	-77.13	384.40	7.88	-69.25
CC1CCCC[N@@H+]1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012524916	0	57	0.0	-58.04	439.44	11.95	-46.09
CC1CCCC[N@H+]1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012524916	1	57	0.0	-58.42	432.73	11.64	-46.78
CCC(C)(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524917	0	53	0.0	-73.14	373.54	7.12	-66.02
CCC(C)(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524917	1	53	0.0	-72.57	380.28	7.45	-65.12
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012524918	0	58	0.0	-77.02	431.64	10.46	-66.56
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012524918	1	58	0.0	-76.50	423.61	10.01	-66.49
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012524919	0	54	0.0	-73.61	422.29	9.30	-64.31
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012524919	1	54	0.0	-74.58	416.13	9.04	-65.54
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012524920	0	57	0.0	-75.43	413.37	9.61	-65.82
CC1CCCC[N@H+]1CCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012524920	1	57	0.0	-75.49	413.39	9.61	-65.88
CCCCCCC(C)(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524921	0	65	0.0	-73.56	459.53	10.21	-63.35
CCCCCCC(C)(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524921	1	65	0.0	-72.95	466.28	10.53	-62.42
CC1CCCC[N@@H+]1CCCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012524922	0	60	0.0	-72.41	445.11	12.04	-60.37
CC1CCCC[N@H+]1CCCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012524922	1	60	0.0	-73.09	438.43	11.74	-61.35
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012524923	0	54	0.0	-70.80	429.02	9.67	-61.13
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012524923	1	54	0.0	-70.37	428.41	9.69	-60.68
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCOCC1C(=O)[O-]	REAL300012524924	0	52	0.0	-78.76	376.82	7.59	-71.17
CC1CCCC[N@H+]1CCCCNC(=O)N1CCOCC1C(=O)[O-]	REAL300012524924	1	52	0.0	-79.59	377.36	7.68	-71.91
CC1CCCC[N@@H+]1CCCCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012524925	0	60	0.0	-77.92	414.93	10.59	-67.33
CC1CCCC[N@H+]1CCCCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012524925	1	60	0.0	-78.69	408.16	10.27	-68.42
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CC1	REAL300012524926	0	51	0.0	-73.29	385.88	7.62	-65.67
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CC1	REAL300012524926	1	51	0.0	-72.64	376.33	7.24	-65.40
CC1CCCC[N@@H+]1CCCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012524927	0	60	0.0	-61.43	448.73	12.35	-49.08
CC1CCCC[N@H+]1CCCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012524927	1	60	0.0	-61.77	448.77	12.35	-49.42
CC1CCCC[N@@H+]1CCCCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012524928	0	57	0.0	-72.20	419.25	10.71	-61.49
CC1CCCC[N@H+]1CCCCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012524928	1	57	0.0	-71.82	413.35	10.47	-61.35
COCCN(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524929	0	54	0.0	-61.07	398.73	7.76	-53.31
COCCN(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524929	1	54	0.0	-61.63	398.70	8.09	-53.54
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012524930	0	58	0.0	-79.51	427.01	10.24	-69.27
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012524930	1	58	0.0	-80.10	420.43	9.94	-70.16
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012524931	0	51	0.0	-79.42	375.66	8.67	-70.75
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012524931	1	51	0.0	-80.02	368.92	8.36	-71.66
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012524932	0	54	0.0	-81.58	385.69	9.96	-71.62
CC1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012524932	1	54	0.0	-81.56	385.77	10.00	-71.56
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012524933	0	51	0.0	-79.26	375.74	8.66	-70.60
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012524933	1	51	0.0	-79.36	368.17	8.67	-70.69
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCC1	REAL300012524934	0	51	0.0	-77.59	377.27	7.79	-69.80
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCC1	REAL300012524934	1	51	0.0	-78.13	370.54	7.47	-70.66
C=CCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524935	0	51	0.0	-71.59	388.63	7.53	-64.06
C=CCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524935	1	51	0.0	-73.03	382.68	7.21	-65.82
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012524936	0	54	0.0	-78.56	392.01	9.52	-69.04
CC1CCCC[N@H+]1CCCCNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012524936	1	54	0.0	-79.23	385.30	9.22	-70.01
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012524937	0	57	0.0	-79.90	394.31	10.57	-69.33
CC1CCCC[N@H+]1CCCCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012524937	1	57	0.0	-80.05	394.38	10.55	-69.50
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CC1	REAL300012524938	0	51	0.0	-73.29	385.88	7.62	-65.67
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CC1	REAL300012524938	1	51	0.0	-72.64	376.33	7.24	-65.40
CCCCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524939	0	56	0.0	-72.84	412.16	8.36	-64.48
CCCCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524939	1	56	0.0	-73.26	412.39	8.31	-64.95
CC1CCCC[N@@H+]1CCCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012524940	0	60	0.0	-61.43	448.73	12.35	-49.08
CC1CCCC[N@H+]1CCCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012524940	1	60	0.0	-61.77	448.77	12.35	-49.42
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012524941	0	54	0.0	-78.60	392.03	9.52	-69.08
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012524941	1	54	0.0	-79.20	385.30	9.23	-69.97
CC1CCCC[N@@H+]1CCCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012524942	0	57	0.0	-59.11	410.41	10.45	-48.66
CC1CCCC[N@H+]1CCCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012524942	1	57	0.0	-59.73	403.70	10.14	-49.59
COCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524943	0	51	0.0	-74.90	381.26	5.00	-69.90
COCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524943	1	51	0.0	-74.17	388.00	5.31	-68.86
CCCCCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524944	0	59	0.0	-72.84	433.65	9.15	-63.69
CCCCCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524944	1	59	0.0	-71.90	439.81	9.41	-62.49
CCC1CCC(NC(=O)NCCCC[N@@H+]2CCCCC2C)(C(=O)[O-])CC1	REAL300012524945	0	63	0.0	-77.03	437.97	10.21	-66.82
CCC1CCC(NC(=O)NCCCC[N@H+]2CCCCC2C)(C(=O)[O-])CC1	REAL300012524945	1	63	0.0	-76.59	444.72	10.54	-66.05
CC1CCCC[N@@H+]1CCCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012524946	0	58	0.0	-59.67	418.85	8.79	-50.88
CC1CCCC[N@H+]1CCCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012524946	1	58	0.0	-60.11	412.10	8.47	-51.64
CC1CCCC[N@@H+]1CCCCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012524947	0	57	0.0	-78.98	401.63	9.86	-69.12
CC1CCCC[N@H+]1CCCCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012524947	1	57	0.0	-79.66	394.84	9.57	-70.09
CC(C(=O)[O-])N(C(=O)NCCCC[N@@H+]1CCCCC1C)C1CC1	REAL300012524948	0	54	0.0	-69.40	378.31	8.84	-60.56
CC(C(=O)[O-])N(C(=O)NCCCC[N@H+]1CCCCC1C)C1CC1	REAL300012524948	1	54	0.0	-62.17	392.47	9.45	-52.72
CCC(C(=O)[O-])N(C(=O)NCCCC[N@@H+]1CCCCC1C)C1CC1	REAL300012524949	0	57	0.0	-70.15	397.10	9.78	-60.37
CCC(C(=O)[O-])N(C(=O)NCCCC[N@H+]1CCCCC1C)C1CC1	REAL300012524949	1	57	0.0	-62.67	412.96	10.52	-52.15
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012524950	0	54	0.0	-75.95	424.91	9.61	-66.34
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012524950	1	54	0.0	-76.51	418.19	9.30	-67.21
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012524951	0	54	0.0	-79.79	416.76	9.23	-70.56
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012524951	1	54	0.0	-79.67	409.77	8.99	-70.68
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012524952	0	58	0.0	-62.80	427.21	11.55	-51.25
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012524952	1	58	0.0	-63.13	420.41	11.27	-51.86
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012524953	0	57	0.0	-70.75	444.91	10.13	-60.62
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012524953	1	57	0.0	-78.01	442.53	10.01	-68.00
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012524954	0	63	0.0	-73.35	456.48	10.28	-63.07
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012524954	1	63	0.0	-73.69	449.56	10.03	-63.66
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524955	0	60	0.0	-60.39	434.30	12.23	-48.16
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524955	1	60	0.0	-59.47	445.26	12.70	-46.77
CC1=CC=C(C(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])C=C1	REAL300012524956	0	57	0.0	-74.37	433.48	9.90	-64.47
CC1=CC=C(C(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])C=C1	REAL300012524956	1	57	0.0	-74.64	433.69	9.82	-64.82
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012524957	0	50	0.0	-67.27	392.08	7.77	-59.50
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012524957	1	50	0.0	-67.84	385.33	7.44	-60.40
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012524958	0	60	0.0	-75.99	458.27	11.43	-64.56
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012524958	1	60	0.0	-76.16	450.96	11.12	-65.04
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012524959	0	55	0.0	-72.65	403.36	8.97	-63.68
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012524959	1	55	0.0	-73.22	396.60	8.66	-64.56
COCC(C)(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524960	0	54	0.0	-77.58	391.79	6.42	-71.16
COCC(C)(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524960	1	54	0.0	-76.82	398.53	6.73	-70.09
CCOCC(C(=O)[O-])N(C)C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524961	0	57	0.0	-70.66	411.89	8.18	-62.48
CCOCC(C(=O)[O-])N(C)C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524961	1	57	0.0	-70.63	412.04	8.24	-62.39
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524962	0	56	0.0	-59.86	403.27	9.64	-50.22
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524962	1	56	0.0	-58.59	396.84	9.38	-49.21
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524963	0	63	0.0	-56.96	446.53	12.10	-44.86
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524963	1	63	0.0	-56.42	459.69	12.56	-43.86
CC1CCCC[N@@H+]1CCCCNC(=O)N(CC(=O)[O-])C1CC1	REAL300012524964	0	51	0.0	-60.99	377.34	9.40	-51.59
CC1CCCC[N@H+]1CCCCNC(=O)N(CC(=O)[O-])C1CC1	REAL300012524964	1	51	0.0	-73.64	372.26	8.96	-64.68
CC1CCCC[N@@H+]1CCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012524965	0	53	0.0	-59.94	406.95	9.70	-50.24
CC1CCCC[N@H+]1CCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012524965	1	53	0.0	-60.05	406.99	9.71	-50.34
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012524966	0	52	0.0	-72.48	381.76	5.61	-66.87
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012524966	1	52	0.0	-73.04	374.99	5.30	-67.74
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012524967	0	60	0.0	-74.30	429.22	9.35	-64.95
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012524967	1	60	0.0	-75.67	423.13	8.96	-66.71
CC1CCCC[N@@H+]1CCCCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012524968	0	61	0.0	-70.92	445.44	9.84	-61.08
CC1CCCC[N@H+]1CCCCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012524968	1	61	0.0	-71.49	438.96	9.46	-62.03
CC1CCCC[N@@H+]1CCCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012524969	0	61	0.0	-82.39	444.65	12.76	-69.63
CC1CCCC[N@H+]1CCCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012524969	1	61	0.0	-82.33	444.95	12.77	-69.56
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012524970	0	55	0.0	-75.66	397.09	6.78	-68.88
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012524970	1	55	0.0	-76.20	390.33	6.47	-69.73
C=CCCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524971	0	54	0.0	-72.27	410.45	8.40	-63.87
C=CCCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524971	1	54	0.0	-72.89	403.71	8.08	-64.81
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CF)C(=O)[O-]	REAL300012524972	0	47	0.0	-62.18	351.49	5.73	-56.45
CC1CCCC[N@H+]1CCCCNC(=O)NC(CF)C(=O)[O-]	REAL300012524972	1	47	0.0	-62.21	351.51	5.73	-56.48
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524973	0	60	0.0	-56.14	437.22	12.65	-43.49
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524973	1	60	0.0	-78.13	437.28	12.44	-65.69
CCC(CC)(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524974	0	56	0.0	-74.44	389.92	8.02	-66.42
CCC(CC)(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524974	1	56	0.0	-73.99	396.67	8.33	-65.66
COC1=CC=C(C(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])C=C1	REAL300012524975	0	58	0.0	-73.27	441.54	8.51	-64.76
COC1=CC=C(C(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])C=C1	REAL300012524975	1	58	0.0	-73.45	441.54	8.51	-64.94
CCC(C)N(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524976	0	56	0.0	-58.81	400.60	10.02	-48.79
CCC(C)N(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524976	1	56	0.0	-59.22	404.79	10.21	-49.01
CCC(COC)(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524977	0	57	0.0	-78.92	408.22	7.33	-71.59
CCC(COC)(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524977	1	57	0.0	-78.34	414.97	7.64	-70.70
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524978	0	60	0.0	-71.29	431.82	8.89	-62.40
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524978	1	60	0.0	-70.75	432.31	8.99	-61.76
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012524979	0	57	0.0	-77.40	422.21	5.27	-72.13
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012524979	1	57	0.0	-77.90	415.44	4.97	-72.93
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012524980	0	54	0.0	-72.41	408.03	8.57	-63.84
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012524980	1	54	0.0	-73.15	401.04	8.31	-64.84
COCCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012524981	0	54	0.0	-72.77	402.24	5.83	-66.94
COCCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012524981	1	54	0.0	-73.34	403.07	5.82	-67.52
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524982	0	59	0.0	-71.38	418.63	10.16	-61.22
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524982	1	59	0.0	-70.87	418.58	10.33	-60.54
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012524983	0	50	0.0	-67.44	385.93	7.60	-59.84
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012524983	1	50	0.0	-68.37	379.78	7.34	-61.03
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524984	0	60	0.0	-80.06	420.47	10.87	-69.19
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524984	1	60	0.0	-79.41	427.21	11.17	-68.24
CCCN(C(=O)NCCCC[N@@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300012524985	0	56	0.0	-54.49	398.91	10.41	-44.08
CCCN(C(=O)NCCCC[N@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300012524985	1	56	0.0	-75.15	401.61	10.04	-65.11
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012524986	0	60	0.0	-54.67	436.48	12.59	-42.08
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012524986	1	60	0.0	-54.26	435.65	12.65	-41.61
CCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012524987	0	60	0.0	-76.45	430.40	10.51	-65.94
CCC(NC(=O)NCCCC[N@H+]1CCCCC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012524987	1	60	0.0	-75.90	437.08	10.82	-65.08
COC1CCCC(C(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])C1	REAL300012524988	0	64	0.0	-77.84	460.51	8.21	-69.63
COC1CCCC(C(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])C1	REAL300012524988	1	64	0.0	-77.11	467.26	8.53	-68.58
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CCF)C(=O)[O-]	REAL300012524989	0	50	0.0	-71.88	375.98	6.90	-64.98
CC1CCCC[N@H+]1CCCCNC(=O)NC(CCF)C(=O)[O-]	REAL300012524989	1	50	0.0	-71.23	375.16	6.91	-64.32
COC1(CC(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])CCC1	REAL300012524990	0	61	0.0	-74.57	439.14	8.19	-66.38
COC1(CC(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])CCC1	REAL300012524990	1	61	0.0	-73.26	445.27	8.51	-64.75
CC1CCCC[N@@H+]1CCCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012524991	0	58	0.0	-59.67	418.85	8.79	-50.88
CC1CCCC[N@H+]1CCCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012524991	1	58	0.0	-60.11	412.10	8.47	-51.64
CC1CCCC[N@@H+]1CCCCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012524992	0	60	0.0	-59.56	427.81	11.16	-48.40
CC1CCCC[N@H+]1CCCCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012524992	1	60	0.0	-60.12	421.09	10.84	-49.28
C[C@H]1CC[C@@](NC(=O)NCCCC[N@@H+]2CCCCC2C)(C(=O)[O-])CC1	REAL300012524993	0	60	0.0	-77.25	412.74	9.36	-67.89
C[C@H]1CC[C@@](NC(=O)NCCCC[N@H+]2CCCCC2C)(C(=O)[O-])CC1	REAL300012524993	1	60	0.0	-76.60	419.46	9.67	-66.93
COC1=CC=CC(C(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])=C1	REAL300012524994	0	58	0.0	-77.13	434.86	8.20	-68.93
COC1=CC=CC(C(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])=C1	REAL300012524994	1	58	0.0	-76.57	441.56	8.51	-68.06
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012524995	0	53	0.0	-69.49	386.88	7.58	-61.91
CC1CCCC[N@H+]1CCCCNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012524995	1	53	0.0	-70.04	380.13	7.26	-62.78
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012524996	0	55	0.0	-63.02	409.82	9.73	-53.29
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012524996	1	55	0.0	-63.16	402.51	9.29	-53.87
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012524997	0	51	0.0	-72.70	388.65	8.83	-63.87
CC1CCCC[N@H+]1CCCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012524997	1	51	0.0	-73.21	381.90	8.52	-64.69
COC1=CC=CC([C@H](NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])=C1	REAL300012524998	0	58	0.0	-77.33	435.03	8.12	-69.21
COC1=CC=CC([C@H](NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])=C1	REAL300012524998	1	58	0.0	-76.19	441.18	8.46	-67.73
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCC[N@@H+]2CCCCC2C)C1	REAL300012524999	0	60	0.0	-81.34	434.44	10.51	-70.83
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCC[N@H+]2CCCCC2C)C1	REAL300012524999	1	60	0.0	-80.85	441.04	10.89	-69.96
COC1=CC=CC(CC(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])=C1	REAL300012525000	0	61	0.0	-74.18	457.27	9.07	-65.11
COC1=CC=CC(CC(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])=C1	REAL300012525000	1	61	0.0	-73.20	463.78	9.44	-63.76
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012525001	0	63	0.0	-77.85	433.59	10.16	-67.69
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012525001	1	63	0.0	-78.24	426.82	9.84	-68.40
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012525002	0	52	0.0	-84.45	382.21	9.62	-74.83
CC1CCCC[N@H+]1CCCCNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012525002	1	52	0.0	-85.56	376.19	9.26	-76.30
COC1CN(C(=O)NCCCC[N@@H+]2CCCCC2C)C(C)(C(=O)[O-])C1	REAL300012525003	0	58	0.0	-76.08	417.99	8.25	-67.83
COC1CN(C(=O)NCCCC[N@H+]2CCCCC2C)C(C)(C(=O)[O-])C1	REAL300012525003	1	58	0.0	-78.69	425.31	8.50	-70.19
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012525004	0	61	0.0	-72.28	447.32	7.97	-64.31
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012525004	1	61	0.0	-73.33	440.80	7.59	-65.74
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012525005	0	56	0.0	-73.86	406.94	8.18	-65.68
CC1CCCC[N@H+]1CCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012525005	1	56	0.0	-74.47	400.19	7.87	-66.60
C=C(Cl)CC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525006	0	51	0.0	-73.48	398.42	7.88	-65.60
C=C(Cl)CC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525006	1	51	0.0	-69.23	397.62	7.94	-61.29
C=C(C)CC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525007	0	54	0.0	-72.07	409.17	8.28	-63.79
C=C(C)CC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525007	1	54	0.0	-72.74	402.15	7.96	-64.78
CC1CCCC[N@@H+]1CCCCNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012525008	0	55	0.0	-84.30	394.71	10.41	-73.89
CC1CCCC[N@H+]1CCCCNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012525008	1	55	0.0	-87.08	390.55	10.12	-76.96
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012525009	0	60	0.0	-72.74	444.11	10.34	-62.40
CC1CCCC[N@H+]1CCCCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012525009	1	60	0.0	-73.32	437.36	10.03	-63.29
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012525010	0	51	0.0	-73.17	381.93	8.55	-64.62
CC1CCCC[N@H+]1CCCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012525010	1	51	0.0	-72.76	381.12	8.83	-63.93
CC1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012525011	0	51	0.0	-77.05	374.64	8.76	-68.29
CC1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012525011	1	51	0.0	-76.49	381.38	9.06	-67.43
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[N@H+]2CCCCC2C)C1	REAL300012525012	0	52	0.0	-79.08	389.14	9.03	-70.05
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[N@@H+]2CCCCC2C)C1	REAL300012525012	1	52	0.0	-79.29	389.14	9.03	-70.26
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012525013	0	61	0.0	-72.49	443.16	8.61	-63.88
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012525013	1	61	0.0	-74.14	440.03	7.58	-66.56
CC(C)C[C@H](NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525014	0	56	0.0	-73.59	408.09	8.09	-65.50
CC(C)C[C@H](NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525014	1	56	0.0	-73.17	407.27	8.12	-65.05
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012525015	0	58	0.0	-75.69	420.05	6.94	-68.75
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012525015	1	58	0.0	-74.33	419.43	6.80	-67.53
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012525016	0	54	0.0	-74.23	412.08	9.22	-65.01
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012525016	1	54	0.0	-75.12	405.59	8.83	-66.29
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012525017	0	54	0.0	-72.41	408.03	8.57	-63.84
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012525017	1	54	0.0	-73.15	401.04	8.31	-64.84
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012525018	0	53	0.0	-73.36	421.33	7.21	-66.15
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012525018	1	53	0.0	-71.48	413.54	6.95	-64.53
CC(C)CCCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525019	0	62	0.0	-72.48	450.63	9.61	-62.87
CC(C)CCCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525019	1	62	0.0	-71.92	457.38	9.91	-62.01
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012525020	0	58	0.0	-77.20	432.26	7.42	-69.78
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012525020	1	58	0.0	-77.76	425.50	7.10	-70.66
CSCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525021	0	51	0.0	-71.20	393.10	7.10	-64.10
CSCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525021	1	51	0.0	-70.36	399.62	7.49	-62.87
COC[C@H](NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525022	0	51	0.0	-74.77	381.26	4.99	-69.78
COC[C@H](NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525022	1	51	0.0	-74.16	388.00	5.31	-68.85
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012525023	0	57	0.0	-71.86	440.75	10.21	-61.65
CC1CCCC[N@H+]1CCCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012525023	1	57	0.0	-72.78	434.24	9.84	-62.94
CCC(C)CC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525024	0	59	0.0	-72.93	425.50	8.72	-64.21
CCC(C)CC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525024	1	59	0.0	-73.33	433.08	9.07	-64.26
C=CCCCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525025	0	57	0.0	-72.16	431.95	9.18	-62.98
C=CCCCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525025	1	57	0.0	-72.93	424.97	8.93	-64.00
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012525026	0	57	0.0	-72.10	440.93	10.16	-61.94
CC1CCCC[N@H+]1CCCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012525026	1	57	0.0	-72.70	434.21	9.85	-62.85
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012525027	0	60	0.0	-77.91	452.20	11.33	-66.58
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012525027	1	60	0.0	-77.98	452.11	11.33	-66.65
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012525028	0	52	0.0	-80.26	386.30	10.17	-70.09
CC1CCCC[N@H+]1CCCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012525028	1	52	0.0	-80.66	386.51	10.23	-70.43
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012525029	0	57	0.0	-75.43	413.37	9.61	-65.82
CC1CCCC[N@H+]1CCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012525029	1	57	0.0	-75.49	413.39	9.61	-65.88
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012525030	0	51	0.0	-79.42	375.66	8.67	-70.75
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012525030	1	51	0.0	-80.02	368.92	8.36	-71.66
CCCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525031	0	53	0.0	-72.90	390.66	7.58	-65.32
CCCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525031	1	53	0.0	-72.56	397.64	7.84	-64.72
CC(C)[C@@H](NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525032	0	53	0.0	-72.75	384.52	7.36	-65.39
CC(C)[C@@H](NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525032	1	53	0.0	-72.61	387.59	7.48	-65.13
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012525033	0	55	0.0	-84.95	396.45	10.50	-74.45
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012525033	1	55	0.0	-85.23	396.55	10.53	-74.70
CCN(C(=O)NCCCC[N@@H+]1CCCCC1C)C(C)(C)C(=O)[O-]	REAL300012525034	0	56	0.0	-76.41	394.07	9.54	-66.87
CCN(C(=O)NCCCC[N@H+]1CCCCC1C)C(C)(C)C(=O)[O-]	REAL300012525034	1	56	0.0	-76.01	400.82	9.83	-66.18
CCCN(C(=O)NCCCC[N@@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300012525035	0	56	0.0	-54.49	398.91	10.41	-44.08
CCCN(C(=O)NCCCC[N@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300012525035	1	56	0.0	-75.15	401.61	10.04	-65.11
CC1CCCC[N@@H+]1CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012525036	0	50	0.0	-68.59	381.94	9.08	-59.51
CC1CCCC[N@H+]1CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012525036	1	50	0.0	-68.55	382.00	9.07	-59.48
CC1CCCC[N@@H+]1CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012525037	0	50	0.0	-68.59	381.94	9.08	-59.51
CC1CCCC[N@H+]1CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012525037	1	50	0.0	-68.55	382.00	9.07	-59.48
CC1CCCC[N@@H+]1CCCCNC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300012525038	0	53	0.0	-76.49	374.63	8.63	-67.86
CC1CCCC[N@H+]1CCCCNC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300012525038	1	53	0.0	-76.57	374.63	8.63	-67.94
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012525039	0	51	0.0	-79.26	375.74	8.66	-70.60
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012525039	1	51	0.0	-79.36	368.17	8.67	-70.69
CC1CCCC[N@@H+]1CCCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012525040	0	63	0.0	-61.62	450.45	6.83	-54.79
CC1CCCC[N@H+]1CCCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012525040	1	63	0.0	-61.02	455.68	7.04	-53.98
CC1CCCC[N@@H+]1CCCCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012525041	0	52	0.0	-81.04	386.92	5.28	-75.76
CC1CCCC[N@H+]1CCCCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012525041	1	52	0.0	-80.88	386.95	5.27	-75.61
CC1CCCC[N@@H+]1CCCCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012525042	1	67	0.0	-61.21	475.66	6.69	-54.52
CC1CCCC[N@H+]1CCCCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012525042	1	67	0.0	-60.80	480.87	6.91	-53.89
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012525043	0	58	0.0	-59.92	430.08	11.79	-48.13
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012525043	1	58	0.0	-58.37	422.43	11.70	-46.67
CC1CCCC[N@H+]1CCCCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012525044	0	61	0.0	-62.95	439.21	12.10	-50.85
CC1CCCC[N@@H+]1CCCCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012525044	1	61	0.0	-64.60	438.87	12.12	-52.48
CCC[C@@H](NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525045	0	53	0.0	-73.25	390.90	7.52	-65.73
CCC[C@@H](NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525045	1	53	0.0	-72.36	397.40	7.90	-64.46
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012525046	0	59	0.0	-71.99	431.82	10.25	-61.74
CC1CCCC[N@H+]1CCCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012525046	1	59	0.0	-71.16	424.95	9.96	-61.20
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012525047	0	54	0.0	-74.23	412.08	9.22	-65.01
CC1CCCC[N@H+]1CCCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012525047	1	54	0.0	-74.84	405.33	8.91	-65.93
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012525048	0	59	0.0	-74.13	452.19	9.15	-64.98
CC1CCCC[N@H+]1CCCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012525048	1	59	0.0	-74.55	445.47	8.85	-65.70
C=CCCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525049	0	54	0.0	-72.27	410.45	8.40	-63.87
C=CCCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525049	1	54	0.0	-72.89	403.71	8.08	-64.81
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012525050	0	53	0.0	-75.83	421.10	7.08	-68.75
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012525050	1	53	0.0	-76.36	414.34	6.77	-69.59
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012525051	0	54	0.0	-69.03	440.61	8.90	-60.13
CC1CCCC[N@H+]1CCCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012525051	1	54	0.0	-69.61	433.89	8.59	-61.02
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012525052	0	54	0.0	-87.61	405.43	6.53	-81.08
CC1CCCC[N@H+]1CCCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012525052	1	54	0.0	-87.47	405.42	6.54	-80.93
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012525053	0	55	0.0	-74.26	395.89	7.91	-66.35
CC1CCCC[N@H+]1CCCCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012525053	1	55	0.0	-74.19	396.02	7.95	-66.24
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012525054	0	54	0.0	-79.23	385.25	9.22	-70.01
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012525054	1	54	0.0	-78.62	391.97	9.54	-69.08
CC(C)[C@H](NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525055	0	53	0.0	-73.67	386.46	7.35	-66.32
CC(C)[C@H](NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525055	1	53	0.0	-71.88	387.27	7.37	-64.51
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012525056	0	54	0.0	-73.91	411.68	9.17	-64.74
CC1CCCC[N@H+]1CCCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012525056	1	54	0.0	-75.14	405.56	8.84	-66.30
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012525057	0	57	0.0	-76.10	421.69	8.48	-67.62
CC1CCCC[N@H+]1CCCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012525057	1	57	0.0	-75.95	421.68	8.48	-67.47
CCC[C@H](NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525058	0	53	0.0	-72.80	390.69	7.58	-65.22
CCC[C@H](NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525058	1	53	0.0	-73.28	390.89	7.52	-65.76
CCN(C(=O)NCCCC[N@@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300012525059	0	53	0.0	-74.51	380.36	9.29	-65.22
CCN(C(=O)NCCCC[N@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300012525059	1	53	0.0	-68.92	383.85	8.91	-60.01
CC1CCCC[N@@H+]1CCCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012525060	0	57	0.0	-59.11	410.41	10.45	-48.66
CC1CCCC[N@H+]1CCCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012525060	1	57	0.0	-59.73	403.70	10.14	-49.59
CC(CN(C)C(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525061	0	53	0.0	-76.38	380.88	8.48	-67.90
CC(CN(C)C(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525061	1	53	0.0	-76.29	388.43	8.83	-67.46
CC[C@H](C)[C@H](NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525062	0	56	0.0	-73.06	399.00	7.69	-65.37
CC[C@H](C)[C@H](NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525062	1	56	0.0	-72.50	405.73	8.01	-64.49
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012525063	0	53	0.0	-69.76	379.78	8.91	-60.85
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012525063	1	53	0.0	-69.53	386.57	9.06	-60.47
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012525064	0	55	0.0	-78.40	402.63	4.75	-73.65
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012525064	1	55	0.0	-83.03	400.94	4.65	-78.38
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525065	0	63	0.0	-74.61	449.88	7.94	-66.67
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525065	1	63	0.0	-74.00	456.59	8.24	-65.76
CC1CCC(NC(=O)NCCCC[N@@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012525066	0	57	0.0	-77.01	405.63	8.41	-68.60
CC1CCC(NC(=O)NCCCC[N@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012525066	1	57	0.0	-76.55	412.32	8.76	-67.79
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012525067	0	60	0.0	-76.94	421.72	9.51	-67.43
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012525067	1	60	0.0	-77.46	414.93	9.22	-68.24
COCCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525068	0	54	0.0	-72.77	402.24	5.83	-66.94
COCCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525068	1	54	0.0	-73.34	403.07	5.82	-67.52
CC1CCCC[N@@H+]1CCCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012525069	0	60	0.0	-72.41	445.11	12.04	-60.37
CC1CCCC[N@H+]1CCCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012525069	1	60	0.0	-73.09	438.43	11.74	-61.35
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012525070	0	57	0.0	-78.26	413.36	9.48	-68.78
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012525070	1	57	0.0	-78.72	407.10	9.16	-69.56
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012525071	0	54	0.0	-75.74	393.01	8.12	-67.62
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012525071	1	54	0.0	-74.98	394.00	7.75	-67.23
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525072	0	63	0.0	-75.11	453.19	8.03	-67.08
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525072	1	63	0.0	-75.34	460.19	8.29	-67.05
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012525073	0	52	0.0	-85.66	378.82	5.15	-80.51
CC1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012525073	1	52	0.0	-85.10	385.59	5.47	-79.63
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012525074	0	62	0.0	-65.35	454.52	12.59	-52.76
CC1CCCC[N@H+]1CCCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012525074	1	62	0.0	-66.30	447.57	12.38	-53.92
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012525075	0	55	0.0	-75.56	403.03	6.07	-69.49
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012525075	1	55	0.0	-76.16	396.28	5.76	-70.40
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012525076	0	55	0.0	-83.72	389.98	9.79	-73.93
CC1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012525076	1	55	0.0	-83.47	390.17	9.79	-73.68
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012525077	0	58	0.0	-81.83	444.42	9.21	-72.62
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012525077	1	58	0.0	-82.91	437.48	8.90	-74.01
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012525078	0	53	0.0	-79.79	389.07	7.87	-71.92
CC1CCCC[N@H+]1CCCCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012525078	1	53	0.0	-80.40	382.75	7.48	-72.92
CC1CCC(C(=O)[O-])N(C(=O)NCCCC[N@@H+]2CCCCC2C)C1	REAL300012525079	0	57	0.0	-81.85	400.07	10.27	-71.58
CC1CCC(C(=O)[O-])N(C(=O)NCCCC[N@H+]2CCCCC2C)C1	REAL300012525079	1	57	0.0	-83.55	402.51	11.13	-72.42
CC(C1=CC=CC=C1)C(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525080	0	60	0.0	-73.50	442.93	10.12	-63.38
CC(C1=CC=CC=C1)C(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525080	1	60	0.0	-72.83	449.68	10.43	-62.40
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012525081	0	61	0.0	-72.17	443.99	10.94	-61.23
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012525081	1	61	0.0	-72.54	436.64	10.59	-61.95
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012525082	0	54	0.0	-73.69	402.90	8.12	-65.57
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012525082	1	54	0.0	-74.34	396.14	7.80	-66.54
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012525083	0	67	0.0	-75.33	469.51	9.91	-65.42
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012525083	1	67	0.0	-76.07	462.77	9.60	-66.47
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012525084	0	60	0.0	-74.30	429.22	9.35	-64.95
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012525084	1	60	0.0	-75.67	423.13	8.96	-66.71
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012525085	0	54	0.0	-73.69	402.90	8.12	-65.57
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012525085	1	54	0.0	-74.34	396.14	7.80	-66.54
CC1CCN(C(=O)NCCCC[N@@H+]2CCCCC2C)C1C(=O)[O-]	REAL300012525086	0	54	0.0	-81.00	389.47	8.94	-72.06
CC1CCN(C(=O)NCCCC[N@H+]2CCCCC2C)C1C(=O)[O-]	REAL300012525086	1	54	0.0	-79.99	390.28	9.35	-70.64
C=CCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525087	0	51	0.0	-71.59	388.63	7.53	-64.06
C=CCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525087	1	51	0.0	-73.03	382.68	7.21	-65.82
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012525088	0	61	0.0	-72.64	448.38	8.80	-63.84
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012525088	1	61	0.0	-76.62	443.36	8.00	-68.62
CC1CCCC[N@@H+]1CCCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012525089	0	61	0.0	-56.02	421.95	10.79	-45.23
CC1CCCC[N@H+]1CCCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012525089	1	61	0.0	-55.76	421.97	10.79	-44.97
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012525090	0	61	0.0	-76.29	426.19	8.09	-68.20
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012525090	1	61	0.0	-77.13	419.41	7.79	-69.34
CC1=CC=CC2=C1CCN(C(=O)NCCCC[N@H+]1CCCCC1C)C2C(=O)[O-]	REAL300012525091	0	61	0.0	-88.55	432.83	12.28	-76.27
CC1=CC=CC2=C1CCN(C(=O)NCCCC[N@@H+]1CCCCC1C)C2C(=O)[O-]	REAL300012525091	1	61	0.0	-88.55	432.86	12.28	-76.27
CC1CCCC[N@@H+]1CCCCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012525092	0	55	0.0	-58.41	390.89	9.71	-48.70
CC1CCCC[N@H+]1CCCCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012525092	1	55	0.0	-57.90	397.64	10.01	-47.89
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012525093	0	61	0.0	-72.17	443.99	10.94	-61.23
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012525093	1	61	0.0	-72.54	436.64	10.59	-61.95
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012525094	0	57	0.0	-70.40	440.69	10.21	-60.19
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012525094	1	57	0.0	-71.40	434.17	9.83	-61.57
COC1CC(NC(=O)NCCCC[N@@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012525095	0	55	0.0	-80.35	403.92	6.43	-73.92
COC1CC(NC(=O)NCCCC[N@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012525095	1	55	0.0	-79.72	410.74	6.75	-72.97
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012525096	0	51	0.0	-70.20	383.22	7.76	-62.44
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012525096	1	51	0.0	-76.04	378.98	7.50	-68.54
CO[C@H]1C[C@](NC(=O)NCCCC[N@@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012525097	0	55	0.0	-73.39	408.74	6.65	-66.74
CO[C@H]1C[C@](NC(=O)NCCCC[N@H+]2CCCCC2C)(C(=O)[O-])C1	REAL300012525097	1	55	0.0	-73.56	408.74	6.65	-66.91
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012525098	0	54	0.0	-69.24	409.36	8.82	-60.42
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012525098	1	54	0.0	-69.97	410.02	8.00	-61.97
CCC1(C(=O)[O-])CCCN1C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012525099	0	57	0.0	-81.96	401.50	10.48	-71.48
CCC1(C(=O)[O-])CCCN1C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012525099	1	57	0.0	-81.43	408.25	10.80	-70.63
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012525100	0	50	0.0	-67.27	392.08	7.77	-59.50
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012525100	1	50	0.0	-67.84	385.33	7.44	-60.40
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012525101	0	58	0.0	-71.48	426.49	7.65	-63.83
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012525101	1	58	0.0	-70.89	426.24	7.71	-63.18
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])COC1	REAL300012525102	0	49	0.0	-70.90	367.60	4.97	-65.93
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])COC1	REAL300012525102	1	49	0.0	-71.93	361.34	4.51	-67.42
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012525103	0	54	0.0	-72.27	426.75	9.08	-63.19
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012525103	1	54	0.0	-72.83	420.02	8.76	-64.07
COCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012525104	0	61	0.0	-74.92	446.59	8.83	-66.09
COCC(NC(=O)NCCCC[N@H+]1CCCCC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012525104	1	61	0.0	-74.87	446.35	8.80	-66.07
CC(C)C(C)(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525105	0	56	0.0	-74.28	390.27	7.82	-66.46
CC(C)C(C)(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525105	1	56	0.0	-73.60	397.02	8.13	-65.47
CC1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012525106	0	52	0.0	-83.94	375.45	9.85	-74.09
CC1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012525106	1	52	0.0	-83.88	375.44	9.84	-74.04
CC1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012525107	0	55	0.0	-81.05	398.21	9.75	-71.30
CC1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012525107	1	55	0.0	-81.51	391.51	9.45	-72.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012525108	0	60	0.0	-54.67	436.48	12.59	-42.08
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012525108	1	60	0.0	-54.26	435.65	12.65	-41.61
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012525109	0	63	0.0	-73.35	456.48	10.28	-63.07
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012525109	1	63	0.0	-73.69	449.56	10.03	-63.66
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012525110	0	60	0.0	-73.07	456.72	10.87	-62.20
CC1CCCC[N@H+]1CCCCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012525110	1	60	0.0	-74.18	450.80	10.55	-63.63
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012525111	0	60	0.0	-73.45	457.31	10.92	-62.53
CC1CCCC[N@H+]1CCCCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012525111	1	60	0.0	-74.38	450.84	10.55	-63.83
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012525112	0	61	0.0	-74.10	436.59	9.78	-64.32
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012525112	1	61	0.0	-74.80	429.84	9.46	-65.34
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012525113	0	63	0.0	-73.20	456.28	10.35	-62.85
CC1CCCC[N@H+]1CCCCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012525113	1	63	0.0	-73.69	449.52	10.03	-63.66
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012525114	0	63	0.0	-73.36	456.48	10.28	-63.08
CC1CCCC[N@H+]1CCCCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012525114	1	63	0.0	-73.95	449.75	9.98	-63.97
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012525115	0	61	0.0	-57.78	439.13	10.88	-46.90
CC1CCCC[N@H+]1CCCCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012525115	1	61	0.0	-57.05	436.78	10.94	-46.11
CC1CCCC[N@@H+]1CCCCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012525116	0	61	0.0	-81.23	434.50	10.89	-70.34
CC1CCCC[N@H+]1CCCCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012525116	1	61	0.0	-81.00	434.37	10.86	-70.14
COC1=CC=C(CC(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])C=C1	REAL300012525117	0	61	0.0	-75.58	457.09	9.13	-66.45
COC1=CC=C(CC(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])C=C1	REAL300012525117	1	61	0.0	-74.97	463.83	9.45	-65.52
C=CCSCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525118	0	55	0.0	-69.76	433.22	8.97	-60.79
C=CCSCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525118	1	55	0.0	-70.70	427.13	8.63	-62.07
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012525119	0	58	0.0	-73.32	455.39	10.48	-62.84
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012525119	1	58	0.0	-73.97	448.65	10.16	-63.81
CCC(C(=O)[O-])N(CC)C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012525120	0	56	0.0	-70.01	394.11	9.56	-60.45
CCC(C(=O)[O-])N(CC)C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012525120	1	56	0.0	-69.88	401.18	9.95	-59.93
COC1(C(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])CCC1	REAL300012525121	0	58	0.0	-70.87	415.65	6.41	-64.46
COC1(C(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])CCC1	REAL300012525121	1	58	0.0	-70.72	422.55	6.71	-64.01
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012525122	0	60	0.0	-74.91	431.24	9.37	-65.54
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012525122	1	60	0.0	-75.39	424.49	9.05	-66.34
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012525123	0	61	0.0	-77.55	443.60	11.21	-66.34
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012525123	1	61	0.0	-78.02	436.88	10.90	-67.12
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012525124	0	54	0.0	-72.89	407.38	8.51	-64.38
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012525124	1	54	0.0	-73.55	400.52	8.21	-65.34
CC(C)C1=CC=C(C(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])C=C1	REAL300012525126	0	63	0.0	-73.95	472.53	11.07	-62.88
CC(C)C1=CC=C(C(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])C=C1	REAL300012525126	1	63	0.0	-73.80	472.29	11.15	-62.65
CC1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012525127	0	51	0.0	-77.05	374.64	8.76	-68.29
CC1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012525127	1	51	0.0	-76.49	381.38	9.06	-67.43
CC1CCCC[N@@H+]1CCCCNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012525128	0	53	0.0	-57.80	383.54	9.53	-48.27
CC1CCCC[N@H+]1CCCCNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012525128	1	53	0.0	-58.11	383.55	9.53	-48.58
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012525129	0	57	0.0	-81.04	409.12	9.76	-71.28
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012525129	1	57	0.0	-81.24	402.30	9.48	-71.76
CCOC1=CC=C(C(NC(=O)NCCCC[N@@H+]2CCCCC2C)C(=O)[O-])C=C1	REAL300012525130	0	61	0.0	-74.36	456.87	9.05	-65.31
CCOC1=CC=C(C(NC(=O)NCCCC[N@H+]2CCCCC2C)C(=O)[O-])C=C1	REAL300012525130	1	61	0.0	-73.56	463.64	9.36	-64.20
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012525131	0	61	0.0	-83.01	431.96	11.94	-71.07
CC1CCCC[N@H+]1CCCCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012525131	1	61	0.0	-82.46	423.23	11.30	-71.16
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012525132	0	61	0.0	-74.54	454.57	11.02	-63.52
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012525132	1	61	0.0	-75.09	447.82	10.70	-64.39
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012525133	0	61	0.0	-78.70	454.74	10.19	-68.51
CC1CCCC[N@H+]1CCCCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012525133	1	61	0.0	-79.33	447.99	9.87	-69.46
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012525134	0	57	0.0	-76.57	448.54	10.08	-66.49
CC1CCCC[N@H+]1CCCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012525134	1	57	0.0	-77.22	441.78	9.76	-67.46
CC(C)CCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525135	0	59	0.0	-73.28	429.96	8.82	-64.46
CC(C)CCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525135	1	59	0.0	-72.66	436.71	9.14	-63.52
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012525136	0	58	0.0	-57.54	421.85	10.45	-47.09
CC1CCCC[N@H+]1CCCCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012525136	1	58	0.0	-58.17	415.97	10.11	-48.06
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012525137	0	58	0.0	-71.48	426.49	7.65	-63.83
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012525137	1	58	0.0	-70.89	426.24	7.71	-63.18
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[N@@H+]2CCCCC2C)C1	REAL300012525138	0	55	0.0	-77.05	418.00	10.15	-66.90
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[N@H+]2CCCCC2C)C1	REAL300012525138	1	55	0.0	-76.89	417.99	10.15	-66.74
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012525139	0	58	0.0	-78.58	411.49	9.93	-68.65
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012525139	1	58	0.0	-79.19	404.74	9.62	-69.57
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012525140	0	55	0.0	-77.01	399.93	8.80	-68.21
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012525140	1	55	0.0	-78.90	391.81	8.72	-70.18
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012525141	0	58	0.0	-76.72	419.65	9.41	-67.31
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012525141	1	58	0.0	-76.58	419.65	9.41	-67.17
CC1CCCC[N@@H+]1CCCCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012525142	0	60	0.0	-71.70	443.65	12.11	-59.59
CC1CCCC[N@H+]1CCCCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012525142	1	60	0.0	-72.19	436.93	11.80	-60.39
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012525143	0	64	0.0	-57.62	444.17	11.13	-46.49
CC1CCCC[N@H+]1CCCCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012525143	1	64	0.0	-58.07	444.16	11.11	-46.96
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012525144	0	57	0.0	-74.03	412.12	8.58	-65.45
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012525144	1	57	0.0	-74.23	405.62	8.33	-65.90
CO[C@H](C)[C@H](NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525145	0	54	0.0	-74.11	398.91	5.99	-68.12
CO[C@H](C)[C@H](NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525145	1	54	0.0	-73.50	405.66	6.31	-67.19
CC1[C@@H](C)[C@@]1(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525146	0	54	0.0	-76.92	383.55	8.01	-68.91
CC1[C@@H](C)[C@@]1(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525146	1	54	0.0	-76.23	390.27	8.32	-67.91
CC1CCCC[N@@H+]1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012525147	0	57	0.0	-58.73	420.23	11.28	-47.45
CC1CCCC[N@H+]1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012525147	1	57	0.0	-60.92	426.28	11.57	-49.35
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012525148	0	57	0.0	-58.03	415.58	9.72	-48.31
CC1CCCC[N@H+]1CCCCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012525148	1	57	0.0	-58.24	408.75	9.41	-48.83
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012525149	0	54	0.0	-79.25	397.31	10.08	-69.17
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012525149	1	54	0.0	-79.62	390.27	9.74	-69.88
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012525150	0	51	0.0	-78.60	384.77	9.18	-69.42
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012525150	1	51	0.0	-83.43	382.07	8.39	-75.04
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012525151	0	57	0.0	-70.40	440.69	10.21	-60.19
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012525151	1	57	0.0	-71.40	434.17	9.83	-61.57
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012525152	0	54	0.0	-72.85	425.16	9.06	-63.79
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012525152	1	54	0.0	-73.09	418.48	8.76	-64.33
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012525153	0	54	0.0	-76.73	404.50	9.76	-66.97
CC1CCCC[N@H+]1CCCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012525153	1	54	0.0	-77.51	397.75	9.44	-68.07
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012525154	0	58	0.0	-77.46	439.26	9.82	-67.64
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012525154	1	58	0.0	-77.44	439.25	9.83	-67.61
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012525155	0	54	0.0	-72.85	425.16	9.06	-63.79
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012525155	1	54	0.0	-73.09	418.48	8.76	-64.33
CC1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012525156	0	58	0.0	-82.33	406.64	10.04	-72.29
CC1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012525156	1	58	0.0	-82.45	406.59	10.04	-72.41
COCCCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525157	0	57	0.0	-72.43	424.33	6.65	-65.78
COCCCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525157	1	57	0.0	-71.50	430.49	6.92	-64.58
CCCC(C(=O)[O-])N(C)C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300012525158	0	56	0.0	-70.32	401.32	9.53	-60.79
CCCC(C(=O)[O-])N(C)C(=O)NCCCC[N@H+]1CCCCC1C	REAL300012525158	1	56	0.0	-69.98	401.28	9.67	-60.31
CCOCC(NC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300012525159	0	54	0.0	-75.04	402.97	6.02	-69.02
CCOCC(NC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300012525159	1	54	0.0	-74.16	409.37	6.27	-67.89
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012525160	0	59	0.0	-73.45	426.98	9.45	-64.00
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012525160	1	59	0.0	-73.84	420.25	9.14	-64.70
CC1CCCC[N@@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012525161	0	58	0.0	-76.39	426.64	7.21	-69.18
CC1CCCC[N@H+]1CCCCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012525161	1	58	0.0	-76.98	419.88	6.91	-70.07
CC1CCCC[N@@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012525162	0	58	0.0	-77.02	431.64	10.46	-66.56
CC1CCCC[N@H+]1CCCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012525162	1	58	0.0	-76.50	423.61	10.01	-66.49
CC1CCCC[N@H+]1CCCCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012525163	0	55	0.0	-79.41	396.93	8.30	-71.11
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012525163	1	55	0.0	-81.58	390.85	8.24	-73.34
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012525164	0	57	0.0	-71.76	417.50	9.97	-61.79
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012525164	1	57	0.0	-72.43	410.54	9.67	-62.76
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012525165	0	51	0.0	-73.42	397.00	7.58	-65.84
CC1CCCC[N@H+]1CCCCNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012525165	1	51	0.0	-74.08	390.26	7.25	-66.83
CC1CCCC[N@@H+]1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012525166	0	54	0.0	-61.02	414.74	10.02	-51.00
CC1CCCC[N@H+]1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012525166	1	54	0.0	-62.35	402.34	9.46	-52.89
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012525167	0	65	0.0	-80.56	448.19	10.47	-70.09
CC1CCCC[N@H+]1CCCCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012525167	1	65	0.0	-81.85	448.51	10.85	-71.00
CC1CCCC[N@@H+]1CCCCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012525168	0	56	0.0	-72.99	445.57	8.75	-64.24
CC1CCCC[N@H+]1CCCCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012525168	1	56	0.0	-74.21	439.64	8.42	-65.79
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[N@@H+]2CCCCC2C)C1	REAL300012525169	0	58	0.0	-79.47	430.03	8.94	-70.53
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[N@H+]2CCCCC2C)C1	REAL300012525169	1	58	0.0	-76.23	422.48	8.72	-67.51
CC(C)C[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525170	0	55	0.0	-75.32	413.83	5.35	-69.97
CC(C)C[C@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525170	1	55	0.0	-77.41	415.02	5.47	-71.94
C=CCOCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525171	0	54	0.0	-76.90	422.07	3.81	-73.09
C=CCOCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525171	1	54	0.0	-78.42	422.47	3.92	-74.50
C=CC(C)C(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525172	0	53	0.0	-76.07	400.75	4.94	-71.13
C=CC(C)C(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525172	1	53	0.0	-77.20	401.91	5.02	-72.18
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012525173	0	57	0.0	-79.29	420.44	3.81	-75.48
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012525173	1	57	0.0	-78.83	420.26	4.00	-74.83
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012525174	0	53	0.0	-71.53	424.82	6.22	-65.31
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012525174	1	53	0.0	-72.52	424.57	6.37	-66.15
COC1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)C(C(=O)[O-])C1	REAL300012525175	0	57	0.0	-85.61	418.01	5.99	-79.62
COC1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)C(C(=O)[O-])C1	REAL300012525175	1	57	0.0	-87.14	416.51	6.17	-80.97
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012525176	0	57	0.0	-74.94	420.40	3.85	-71.09
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012525176	1	57	0.0	-75.33	420.81	3.96	-71.37
CC1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)C(C(=O)[O-])C1	REAL300012525177	0	56	0.0	-84.89	406.55	7.55	-77.34
CC1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)C(C(=O)[O-])C1	REAL300012525177	1	56	0.0	-86.16	400.23	7.42	-78.74
CC1=CC(C(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])=CC=C1F	REAL300012525178	0	56	0.0	-73.85	438.83	6.80	-67.05
CC1=CC(C(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])=CC=C1F	REAL300012525178	1	56	0.0	-75.20	439.22	6.91	-68.29
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012525179	0	58	0.0	-77.12	447.77	6.02	-71.10
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012525179	1	58	0.0	-78.43	448.41	6.07	-72.36
CC1=CC(C)=CC(C(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])=C1	REAL300012525180	0	59	0.0	-78.33	454.95	7.43	-70.90
CC1=CC(C)=CC(C(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012525180	1	59	0.0	-80.05	455.29	7.54	-72.51
CC1=CC=C(C(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])C=C1C	REAL300012525181	0	59	0.0	-77.95	450.28	7.39	-70.56
CC1=CC=C(C(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])C=C1C	REAL300012525181	1	59	0.0	-80.11	450.89	7.43	-72.68
CC1=CC=CC(C(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])=C1C	REAL300012525182	0	59	0.0	-77.64	442.78	7.15	-70.49
CC1=CC=CC(C(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])=C1C	REAL300012525182	1	59	0.0	-78.69	441.54	7.23	-71.46
COC1=CC=C(C(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])C=C1F	REAL300012525183	0	57	0.0	-77.51	447.82	5.46	-72.05
COC1=CC=C(C(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])C=C1F	REAL300012525183	1	57	0.0	-76.84	448.19	5.60	-71.24
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525184	0	52	0.0	-62.82	395.37	6.59	-56.23
CCCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525184	1	52	0.0	-66.62	395.77	6.71	-59.91
CC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CCN(C)CC1)C1CCC1	REAL300012525185	0	56	0.0	-56.71	404.00	7.80	-48.91
CC(C(=O)[O-])N(C(=O)NCCCCN1CC[NH+](C)CC1)C1CCC1	REAL300012525185	1	56	0.0	-64.86	408.82	7.12	-57.74
CCCN(C(=O)NCCCC[NH+]1CCN(C)CC1)C(COC)C(=O)[O-]	REAL300012525186	0	59	0.0	-79.42	437.26	7.57	-71.85
CCCN(C(=O)NCCCCN1CC[NH+](C)CC1)C(COC)C(=O)[O-]	REAL300012525186	1	59	0.0	-80.51	437.66	7.68	-72.83
CCCN(C(=O)NCCCC[NH+]1CCN(C)CC1)C(CC)C(=O)[O-]	REAL300012525187	0	58	0.0	-77.53	423.45	8.21	-69.32
CCCN(C(=O)NCCCCN1CC[NH+](C)CC1)C(CC)C(=O)[O-]	REAL300012525187	1	58	0.0	-78.13	424.55	8.34	-69.79
CC(C)C(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525188	0	52	0.0	-74.44	390.12	4.57	-69.87
CC(C)C(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525188	1	52	0.0	-76.54	393.37	4.72	-71.82
CN1CC[NH+](CCCCNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012525189	0	53	0.0	-85.61	386.25	7.17	-78.44
C[NH+]1CCN(CCCCNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012525189	1	53	0.0	-87.12	386.42	7.33	-79.79
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012525190	0	53	0.0	-73.25	428.61	6.70	-66.55
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012525190	1	53	0.0	-74.68	428.60	6.76	-67.92
CN1CC[NH+](CCCCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012525191	0	51	0.0	-82.78	385.86	7.07	-75.71
C[NH+]1CCN(CCCCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012525191	1	51	0.0	-83.11	386.25	7.18	-75.93
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012525192	0	56	0.0	-79.55	405.47	6.23	-73.32
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012525192	1	56	0.0	-80.39	405.86	6.36	-74.03
CN1CC[NH+](CCCCNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012525193	0	50	0.0	-81.78	374.70	5.94	-75.84
C[NH+]1CCN(CCCCNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012525193	1	50	0.0	-83.32	375.10	6.05	-77.27
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012525194	0	53	0.0	-79.97	390.37	5.10	-74.87
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012525194	1	53	0.0	-81.98	390.76	5.22	-76.76
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012525195	0	59	0.0	-80.11	411.12	6.91	-73.20
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012525195	1	59	0.0	-80.88	411.51	7.03	-73.85
CN1CC[NH+](CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525196	0	56	0.0	-77.31	434.32	7.04	-70.27
C[NH+]1CCN(CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525196	1	56	0.0	-77.67	434.76	7.16	-70.51
CN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012525197	0	56	0.0	-61.24	426.80	8.55	-52.69
C[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012525197	1	56	0.0	-67.22	433.27	8.96	-58.26
CN1CC[NH+](CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525198	0	53	0.0	-77.10	411.88	6.18	-70.92
C[NH+]1CCN(CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525198	1	53	0.0	-78.28	412.51	6.22	-72.06
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525199	0	53	0.0	-76.99	411.86	6.18	-70.81
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525199	1	53	0.0	-78.54	411.86	6.24	-72.30
CCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525200	0	49	0.0	-75.11	375.11	4.04	-71.07
CCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525200	1	49	0.0	-76.48	375.50	4.16	-72.32
CC(C)C(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525201	0	52	0.0	-74.44	390.12	4.57	-69.87
CC(C)C(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525201	1	52	0.0	-76.54	393.37	4.72	-71.82
CN1CC[NH+](CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525202	0	56	0.0	-77.31	434.32	7.04	-70.27
C[NH+]1CCN(CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525202	1	56	0.0	-77.67	434.76	7.16	-70.51
CCC(C)C(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525203	0	55	0.0	-76.73	407.18	4.99	-71.74
CCC(C)C(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525203	1	55	0.0	-76.08	409.45	5.39	-70.69
CN1CC[NH+](CCCCNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012525204	0	53	0.0	-85.61	386.25	7.17	-78.44
C[NH+]1CCN(CCCCNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012525204	1	53	0.0	-87.12	386.42	7.33	-79.79
CCCC(C)(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525205	0	55	0.0	-75.91	401.58	5.15	-70.76
CCCC(C)(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525205	1	55	0.0	-77.91	401.97	5.28	-72.63
CC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525206	0	52	0.0	-63.65	384.00	6.12	-57.53
CC(C)N(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525206	1	52	0.0	-67.30	384.39	6.24	-61.06
CN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012525207	0	50	0.0	-63.69	377.14	6.36	-57.33
C[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012525207	1	50	0.0	-63.47	377.81	6.52	-56.95
C=CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525208	0	50	0.0	-62.69	386.68	6.40	-56.29
C=CCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525208	1	50	0.0	-66.42	387.08	6.52	-59.90
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525209	0	55	0.0	-62.86	410.03	7.11	-55.75
CC(C)CN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525209	1	55	0.0	-66.66	410.43	7.23	-59.43
CN1CC[NH+](CCCCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012525210	0	57	0.0	-85.39	423.65	9.08	-76.31
C[NH+]1CCN(CCCCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012525210	1	57	0.0	-86.42	424.04	9.20	-77.22
CN1CC[NH+](CCCCNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012525211	0	49	0.0	-64.65	366.69	3.41	-61.24
C[NH+]1CCN(CCCCNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012525211	1	49	0.0	-65.01	367.08	3.52	-61.49
CN1CC[NH+](CCCCNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012525212	0	53	0.0	-77.41	389.59	5.15	-72.26
C[NH+]1CCN(CCCCNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012525212	1	53	0.0	-78.46	389.98	5.27	-73.19
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012525213	0	50	0.0	-75.14	403.47	5.26	-69.88
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012525213	1	50	0.0	-75.99	403.89	5.38	-70.61
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012525214	0	56	0.0	-79.55	405.47	6.23	-73.32
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012525214	1	56	0.0	-80.39	405.86	6.36	-74.03
CN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012525215	0	56	0.0	-59.23	443.57	9.07	-50.16
C[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012525215	1	56	0.0	-64.53	450.00	9.48	-55.05
CC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525216	0	52	0.0	-63.65	384.00	6.12	-57.53
CC(C)N(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525216	1	52	0.0	-67.30	384.39	6.24	-61.06
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525217	0	52	0.0	-62.82	395.37	6.59	-56.23
CCCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525217	1	52	0.0	-66.62	395.77	6.71	-59.91
CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525218	0	49	0.0	-75.09	373.87	5.84	-69.25
CCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525218	1	49	0.0	-75.26	374.27	5.95	-69.31
CC[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525219	0	55	0.0	-75.92	406.47	5.03	-70.89
CC[C@H](C)[C@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525219	1	55	0.0	-77.96	407.58	5.11	-72.85
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012525220	0	53	0.0	-79.97	390.37	5.10	-74.87
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012525220	1	53	0.0	-81.98	390.76	5.22	-76.76
CN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012525221	0	56	0.0	-59.71	433.24	8.62	-51.09
C[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012525221	1	56	0.0	-64.62	439.68	9.03	-55.59
CCC(C)(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525222	0	52	0.0	-75.63	380.08	4.40	-71.23
CCC(C)(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525222	1	52	0.0	-77.57	380.47	4.52	-73.05
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012525223	0	57	0.0	-79.01	430.06	7.28	-71.73
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012525223	1	57	0.0	-80.31	430.45	7.40	-72.91
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012525224	0	53	0.0	-76.76	422.71	6.32	-70.44
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012525224	1	53	0.0	-78.22	422.54	6.38	-71.84
CN1CC[NH+](CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525225	0	56	0.0	-77.94	419.91	6.88	-71.06
C[NH+]1CCN(CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525225	1	56	0.0	-79.87	420.29	7.00	-72.87
CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525226	0	49	0.0	-75.09	373.87	5.84	-69.25
CCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525226	1	49	0.0	-75.26	374.27	5.95	-69.31
CCCCCCC(C)(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525227	0	64	0.0	-76.04	466.08	7.48	-68.56
CCCCCCC(C)(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525227	1	64	0.0	-78.18	466.47	7.61	-70.57
CN(C(=O)NCCCC[NH+]1CCN(C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012525228	0	59	0.0	-75.11	444.90	9.11	-66.00
CN(C(=O)NCCCCN1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012525228	1	59	0.0	-74.06	443.33	9.08	-64.98
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012525229	0	53	0.0	-73.25	428.61	6.70	-66.55
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012525229	1	53	0.0	-74.68	428.60	6.76	-67.92
CN1CC[NH+](CCCCNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012525230	0	51	0.0	-82.18	377.20	4.54	-77.64
C[NH+]1CCN(CCCCNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012525230	1	51	0.0	-82.80	377.20	4.61	-78.19
CN(C(=O)NCCCC[NH+]1CCN(C)CC1)C1(C(=O)[O-])CCCCC1	REAL300012525231	0	59	0.0	-81.01	414.72	7.55	-73.46
CN(C(=O)NCCCCN1CC[NH+](C)CC1)C1(C(=O)[O-])CCCCC1	REAL300012525231	1	59	0.0	-82.71	415.11	7.67	-75.04
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012525232	0	50	0.0	-77.12	382.33	4.52	-72.60
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012525232	1	50	0.0	-76.64	383.26	4.63	-72.01
CN1CC[NH+](CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012525233	0	59	0.0	-63.29	450.07	9.40	-53.89
C[NH+]1CCN(CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012525233	1	59	0.0	-67.67	455.67	9.74	-57.93
CN(C(=O)NCCCC[NH+]1CCN(C)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012525234	0	56	0.0	-74.50	419.38	7.67	-66.83
CN(C(=O)NCCCCN1CC[NH+](C)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012525234	1	56	0.0	-78.60	422.25	8.47	-70.13
COCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525235	0	53	0.0	-63.58	405.25	5.02	-58.56
COCCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525235	1	53	0.0	-67.44	405.64	5.14	-62.30
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012525236	0	57	0.0	-82.49	427.13	7.22	-75.27
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012525236	1	57	0.0	-85.31	427.52	7.34	-77.97
CN1CC[NH+](CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012525237	0	50	0.0	-82.37	375.46	5.63	-76.74
C[NH+]1CCN(CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012525237	1	50	0.0	-82.79	375.87	5.74	-77.05
CN1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012525238	0	53	0.0	-84.49	385.57	6.95	-77.54
C[NH+]1CCN(CCCCNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012525238	1	53	0.0	-85.78	385.96	7.07	-78.71
C[C@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525239	0	49	0.0	-72.11	365.92	4.94	-67.17
C[C@H](C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525239	1	49	0.0	-71.71	366.29	5.15	-66.56
CN1CC[NH+](CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012525240	0	50	0.0	-81.78	374.69	5.95	-75.83
C[NH+]1CCN(CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012525240	1	50	0.0	-83.31	375.08	6.06	-77.25
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012525241	0	50	0.0	-80.47	377.19	4.73	-75.74
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012525241	1	50	0.0	-82.25	377.58	4.84	-77.41
C=CCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525242	0	50	0.0	-75.36	389.26	4.48	-70.88
C=CCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525242	1	50	0.0	-76.65	389.65	4.60	-72.05
CN1CC[NH+](CCCCNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012525243	0	53	0.0	-81.74	391.83	6.49	-75.25
C[NH+]1CCN(CCCCNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012525243	1	53	0.0	-83.35	392.17	6.61	-76.74
CN1CC[NH+](CCCCNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012525244	0	56	0.0	-83.31	399.04	7.50	-75.81
C[NH+]1CCN(CCCCNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012525244	1	56	0.0	-85.30	399.31	7.59	-77.71
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012525245	0	50	0.0	-77.12	382.33	4.52	-72.60
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012525245	1	50	0.0	-76.64	383.26	4.63	-72.01
CC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525246	0	49	0.0	-71.85	366.04	5.09	-66.76
CC(C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525246	1	49	0.0	-71.31	367.36	5.21	-66.10
CCCCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525247	0	55	0.0	-75.62	418.94	5.58	-70.04
CCCCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525247	1	55	0.0	-76.84	419.34	5.70	-71.14
CN1CC[NH+](CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012525248	0	59	0.0	-63.29	450.07	9.40	-53.89
C[NH+]1CCN(CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012525248	1	59	0.0	-67.67	455.67	9.74	-57.93
CN1CC[NH+](CCCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012525249	0	53	0.0	-81.63	391.85	6.47	-75.16
C[NH+]1CCN(CCCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012525249	1	53	0.0	-83.36	392.24	6.59	-76.77
CN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012525250	0	56	0.0	-62.12	410.22	7.41	-54.71
C[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012525250	1	56	0.0	-65.05	410.61	7.53	-57.52
COCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525251	0	50	0.0	-76.87	387.32	2.25	-74.62
COCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525251	1	50	0.0	-78.40	387.71	2.37	-76.03
CCCCCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525252	0	58	0.0	-74.98	439.61	6.37	-68.61
CCCCCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525252	1	58	0.0	-76.81	440.83	6.48	-70.33
CCC1CCC(NC(=O)NCCCC[NH+]2CCN(C)CC2)(C(=O)[O-])CC1	REAL300012525253	0	62	0.0	-79.36	444.54	7.49	-71.87
CCC1CCC(NC(=O)NCCCCN2CC[NH+](C)CC2)(C(=O)[O-])CC1	REAL300012525253	1	62	0.0	-80.16	444.91	7.61	-72.55
CN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012525254	0	57	0.0	-62.56	418.64	5.74	-56.82
C[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012525254	1	57	0.0	-65.42	419.12	5.86	-59.56
CN(C(=O)NCCCC[NH+]1CCN(C)CC1)C1(C(=O)[O-])CCCC1	REAL300012525255	0	56	0.0	-83.06	402.93	7.05	-76.01
CN(C(=O)NCCCCN1CC[NH+](C)CC1)C1(C(=O)[O-])CCCC1	REAL300012525255	1	56	0.0	-83.93	401.79	6.96	-76.97
CC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CCN(C)CC1)C1CC1	REAL300012525256	0	53	0.0	-64.74	392.28	6.54	-58.20
CC(C(=O)[O-])N(C(=O)NCCCCN1CC[NH+](C)CC1)C1CC1	REAL300012525256	1	53	0.0	-66.75	392.71	6.54	-60.21
CCC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CCN(C)CC1)C1CC1	REAL300012525257	0	56	0.0	-74.96	407.72	7.47	-67.49
CCC(C(=O)[O-])N(C(=O)NCCCCN1CC[NH+](C)CC1)C1CC1	REAL300012525257	1	56	0.0	-75.57	408.29	7.71	-67.86
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012525258	0	53	0.0	-78.93	424.07	6.53	-72.40
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012525258	1	53	0.0	-79.43	425.18	6.68	-72.75
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012525259	0	53	0.0	-82.98	416.51	6.19	-76.79
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012525259	1	53	0.0	-83.15	416.94	6.30	-76.85
CN1CC[NH+](CCCCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012525260	0	57	0.0	-65.57	427.02	8.53	-57.04
C[NH+]1CCN(CCCCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012525260	1	57	0.0	-68.29	427.42	8.65	-59.64
CN1CC[NH+](CCCCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012525261	0	56	0.0	-73.65	444.63	7.08	-66.57
C[NH+]1CCN(CCCCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012525261	1	56	0.0	-81.65	449.49	7.41	-74.24
CN1CC[NH+](CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012525262	0	62	0.0	-76.30	456.33	7.24	-69.06
C[NH+]1CCN(CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012525262	1	62	0.0	-76.75	456.66	7.34	-69.41
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525263	0	59	0.0	-62.52	440.78	9.51	-53.01
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525263	1	59	0.0	-67.02	440.90	9.04	-57.98
CC1=CC=C(C(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])C=C1	REAL300012525264	0	56	0.0	-77.19	433.27	6.86	-70.33
CC1=CC=C(C(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012525264	1	56	0.0	-79.15	433.90	6.90	-72.25
CN1CC[NH+](CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012525265	0	49	0.0	-69.57	391.04	4.75	-64.82
C[NH+]1CCN(CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012525265	1	49	0.0	-70.95	391.44	4.87	-66.08
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012525266	0	59	0.0	-78.85	458.10	8.38	-70.47
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012525266	1	59	0.0	-79.91	458.50	8.49	-71.42
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012525267	0	54	0.0	-75.34	403.15	5.90	-69.44
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012525267	1	54	0.0	-76.24	403.55	6.05	-70.19
COCC(C)(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525268	0	53	0.0	-79.92	398.33	3.68	-76.24
COCC(C)(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525268	1	53	0.0	-81.62	398.72	3.81	-77.81
CCOCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525269	0	56	0.0	-73.10	418.08	5.40	-67.70
CCOCC(C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525269	1	56	0.0	-73.73	418.47	5.51	-68.22
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525270	0	55	0.0	-62.86	410.03	7.11	-55.75
CC(C)CN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525270	1	55	0.0	-66.66	410.43	7.23	-59.43
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525271	0	62	0.0	-59.09	453.04	9.37	-49.72
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525271	1	62	0.0	-64.94	461.34	10.30	-54.64
CN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012525272	0	50	0.0	-63.69	377.14	6.36	-57.33
C[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012525272	1	50	0.0	-63.47	377.81	6.52	-56.95
CN1CC[NH+](CCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012525273	0	52	0.0	-62.41	413.50	6.97	-55.44
C[NH+]1CCN(CCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012525273	1	52	0.0	-65.74	413.90	7.09	-58.65
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012525274	0	51	0.0	-75.27	381.47	2.54	-72.73
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012525274	1	51	0.0	-77.03	381.98	2.65	-74.38
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012525275	0	59	0.0	-77.95	429.71	6.24	-71.71
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012525275	1	59	0.0	-78.29	428.25	6.29	-72.00
CN(C(=O)NCCCC[NH+]1CCN(C)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012525276	0	60	0.0	-73.93	445.59	6.85	-67.08
CN(C(=O)NCCCCN1CC[NH+](C)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012525276	1	60	0.0	-73.84	445.98	6.97	-66.87
CN1CC[NH+](CCCCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012525277	0	60	0.0	-85.07	450.07	10.21	-74.86
C[NH+]1CCN(CCCCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012525277	1	60	0.0	-85.16	449.30	10.19	-74.97
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012525278	0	54	0.0	-78.49	396.89	3.74	-74.75
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012525278	1	54	0.0	-79.20	397.28	3.86	-75.34
C=CCCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525279	0	53	0.0	-74.70	409.42	5.38	-69.32
C=CCCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525279	1	53	0.0	-76.11	409.82	5.48	-70.63
CN1CC[NH+](CCCCNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012525280	0	46	0.0	-63.94	357.57	3.05	-60.89
C[NH+]1CCN(CCCCNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012525280	1	46	0.0	-64.78	358.13	3.14	-61.64
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525281	0	59	0.0	-57.51	441.77	9.91	-47.60
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525281	1	59	0.0	-80.07	443.07	9.81	-70.26
CC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525282	0	49	0.0	-71.85	366.04	5.09	-66.76
CC(C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525282	1	49	0.0	-71.31	367.36	5.21	-66.10
CCC(CC)(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525283	0	55	0.0	-76.70	396.46	5.29	-71.41
CCC(CC)(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525283	1	55	0.0	-78.84	397.15	5.41	-73.43
COC1=CC=C(C(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])C=C1	REAL300012525284	0	57	0.0	-77.08	441.63	5.40	-71.68
COC1=CC=C(C(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012525284	1	57	0.0	-78.46	441.96	5.51	-72.95
CCC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525285	0	55	0.0	-60.94	407.19	7.29	-53.65
CCC(C)N(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525285	1	55	0.0	-65.40	407.58	7.40	-58.00
CCC(COC)(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525286	0	56	0.0	-81.24	415.00	4.59	-76.65
CCC(COC)(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525286	1	56	0.0	-83.03	415.39	4.71	-78.32
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525287	0	59	0.0	-73.16	438.36	6.16	-67.00
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525287	1	59	0.0	-73.83	438.75	6.28	-67.55
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012525288	0	56	0.0	-80.27	421.99	2.24	-78.03
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012525288	1	56	0.0	-80.48	422.40	2.35	-78.13
CN1CC[NH+](CCCCNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012525289	0	53	0.0	-75.49	407.55	5.59	-69.90
C[NH+]1CCN(CCCCNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012525289	1	53	0.0	-76.58	407.71	5.76	-70.82
COCCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525290	0	53	0.0	-75.18	408.79	3.10	-72.08
COCCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525290	1	53	0.0	-76.79	410.01	3.21	-73.58
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525291	0	58	0.0	-73.30	425.13	7.60	-65.70
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525291	1	58	0.0	-73.48	424.62	7.48	-66.00
CN1CC[NH+](CCCCNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012525292	0	49	0.0	-74.95	388.29	4.32	-70.63
C[NH+]1CCN(CCCCNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012525292	1	49	0.0	-75.32	387.85	4.44	-70.88
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525293	0	59	0.0	-84.33	426.48	8.44	-75.89
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525293	1	59	0.0	-84.87	426.94	8.57	-76.30
CCCN(C(=O)NCCCC[NH+]1CCN(C)CC1)C(C)C(=O)[O-]	REAL300012525294	0	55	0.0	-58.15	406.04	7.48	-50.67
CCCN(C(=O)NCCCCN1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012525294	1	55	0.0	-72.11	405.42	6.68	-65.43
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525295	0	59	0.0	-57.64	442.00	9.68	-47.96
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525295	1	59	0.0	-77.10	444.02	9.73	-67.37
CCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012525296	0	59	0.0	-78.62	436.77	7.75	-70.87
CCC(NC(=O)NCCCCN1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012525296	1	59	0.0	-79.98	437.27	7.89	-72.09
COC1CCCC(C(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])C1	REAL300012525297	0	63	0.0	-81.57	462.13	5.23	-76.34
COC1CCCC(C(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])C1	REAL300012525297	1	63	0.0	-81.86	462.53	5.35	-76.51
CN1CC[NH+](CCCCNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012525298	0	49	0.0	-73.73	381.70	4.18	-69.55
C[NH+]1CCN(CCCCNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012525298	1	49	0.0	-74.82	382.09	4.30	-70.52
COC1(CC(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])CCC1	REAL300012525299	0	60	0.0	-77.62	447.44	5.11	-72.51
COC1(CC(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])CCC1	REAL300012525299	1	60	0.0	-78.39	446.07	5.57	-72.82
CN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012525300	0	57	0.0	-62.56	418.64	5.74	-56.82
C[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012525300	1	57	0.0	-65.42	419.12	5.86	-59.56
CN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012525301	0	59	0.0	-62.64	427.60	8.12	-54.52
C[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012525301	1	59	0.0	-65.48	427.98	8.23	-57.25
C[C@H]1CC[C@@](NC(=O)NCCCC[NH+]2CCN(C)CC2)(C(=O)[O-])CC1	REAL300012525302	0	59	0.0	-79.75	419.26	6.63	-73.12
C[C@H]1CC[C@@](NC(=O)NCCCCN2CC[NH+](C)CC2)(C(=O)[O-])CC1	REAL300012525302	1	59	0.0	-81.63	419.65	6.74	-74.89
COC1=CC=CC(C(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])=C1	REAL300012525303	0	57	0.0	-79.78	441.60	5.38	-74.40
COC1=CC=CC(C(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012525303	1	57	0.0	-80.83	441.37	5.53	-75.30
CN1CC[NH+](CCCCNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012525304	0	52	0.0	-72.52	386.68	4.55	-67.97
C[NH+]1CCN(CCCCNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012525304	1	52	0.0	-74.35	387.06	4.66	-69.69
CN1CC[NH+](CCCCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012525305	0	54	0.0	-67.05	408.86	6.59	-60.46
C[NH+]1CCN(CCCCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012525305	1	54	0.0	-69.60	409.85	6.84	-62.76
CN1CC[NH+](CCCCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012525306	0	50	0.0	-75.53	388.46	5.79	-69.74
C[NH+]1CCN(CCCCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012525306	1	50	0.0	-76.28	390.25	5.80	-70.48
COC1=CC=CC([C@H](NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])=C1	REAL300012525307	0	57	0.0	-79.64	441.58	5.38	-74.26
COC1=CC=CC([C@H](NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012525307	1	57	0.0	-81.17	442.00	5.50	-75.67
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525308	0	49	0.0	-71.17	366.47	4.99	-66.18
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525308	1	49	0.0	-72.43	366.43	5.21	-67.22
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCC[NH+]2CCN(C)CC2)C1	REAL300012525309	0	59	0.0	-83.82	440.74	7.81	-76.01
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCCN2CC[NH+](C)CC2)C1	REAL300012525309	1	59	0.0	-84.57	441.13	7.93	-76.64
COC1=CC=CC(CC(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])=C1	REAL300012525310	0	60	0.0	-76.52	463.82	6.35	-70.17
COC1=CC=CC(CC(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012525310	1	60	0.0	-80.63	464.22	6.46	-74.17
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012525311	0	62	0.0	-80.78	433.38	7.12	-73.66
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012525311	1	62	0.0	-81.48	433.79	7.22	-74.26
CN1CC[NH+](CCCCNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012525312	0	51	0.0	-87.40	382.01	6.57	-80.83
C[NH+]1CCN(CCCCNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012525312	1	51	0.0	-88.10	382.35	6.69	-81.41
COC1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)C(C)(C(=O)[O-])C1	REAL300012525313	0	57	0.0	-81.95	425.09	5.47	-76.48
COC1CN(C(=O)NCCCCN2CC[NH+](C)CC2)C(C)(C(=O)[O-])C1	REAL300012525313	1	57	0.0	-79.08	425.01	5.64	-73.44
CN1CC[NH+](CCCCNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012525314	0	60	0.0	-75.34	447.10	4.93	-70.41
C[NH+]1CCN(CCCCNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012525314	1	60	0.0	-76.18	443.26	5.73	-70.45
CN1CC[NH+](CCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012525315	0	55	0.0	-75.63	405.12	5.15	-70.48
C[NH+]1CCN(CCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012525315	1	55	0.0	-77.12	405.52	5.27	-71.85
C=C(Cl)CC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525316	0	50	0.0	-76.24	405.21	5.09	-71.15
C=C(Cl)CC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525316	1	50	0.0	-77.20	405.61	5.21	-71.99
C=C(C)CC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525317	0	53	0.0	-75.79	409.80	5.23	-70.56
C=C(C)CC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525317	1	53	0.0	-76.47	409.39	5.37	-71.10
CN1CC[NH+](CCCCNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012525318	0	54	0.0	-89.50	396.79	7.37	-82.13
C[NH+]1CCN(CCCCNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012525318	1	54	0.0	-89.97	396.88	7.51	-82.46
CN1CC[NH+](CCCCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012525319	0	59	0.0	-75.62	443.91	7.30	-68.32
C[NH+]1CCN(CCCCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012525319	1	59	0.0	-77.57	444.31	7.41	-70.16
CN1CC[NH+](CCCCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012525320	0	50	0.0	-75.46	388.47	5.79	-69.67
C[NH+]1CCN(CCCCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012525320	1	50	0.0	-76.07	388.07	6.24	-69.83
CN1CC[NH+](CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012525321	0	50	0.0	-79.32	381.20	6.03	-73.29
C[NH+]1CCN(CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012525321	1	50	0.0	-80.52	381.59	6.15	-74.37
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CCN(C)CC2)C1	REAL300012525322	0	51	0.0	-82.02	388.94	5.99	-76.03
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCCN2CC[NH+](C)CC2)C1	REAL300012525322	1	51	0.0	-83.52	389.27	6.16	-77.36
CN1CC[NH+](CCCCNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012525323	0	60	0.0	-75.39	442.96	5.57	-69.82
C[NH+]1CCN(CCCCNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012525323	1	60	0.0	-75.92	443.59	5.62	-70.30
CC(C)C[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525324	0	55	0.0	-75.32	413.83	5.35	-69.97
CC(C)C[C@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525324	1	55	0.0	-77.41	415.02	5.47	-71.94
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012525325	0	57	0.0	-79.29	420.44	3.81	-75.48
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012525325	1	57	0.0	-78.83	420.26	4.00	-74.83
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525326	0	53	0.0	-76.99	411.86	6.18	-70.81
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525326	1	53	0.0	-78.54	411.86	6.24	-72.30
CN1CC[NH+](CCCCNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012525327	0	53	0.0	-75.49	407.55	5.59	-69.90
C[NH+]1CCN(CCCCNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012525327	1	53	0.0	-76.58	407.71	5.76	-70.82
CN1CC[NH+](CCCCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012525328	0	52	0.0	-75.92	420.88	4.24	-71.68
C[NH+]1CCN(CCCCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012525328	1	52	0.0	-75.53	420.47	4.34	-71.19
CC(C)CCCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525329	0	61	0.0	-75.61	458.01	6.87	-68.74
CC(C)CCCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525329	1	61	0.0	-76.75	458.40	7.00	-69.75
CN1CC[NH+](CCCCNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012525330	0	57	0.0	-79.84	431.90	4.47	-75.37
C[NH+]1CCN(CCCCNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012525330	1	57	0.0	-80.82	431.12	4.45	-76.37
CSCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525331	0	50	0.0	-72.68	398.74	4.47	-68.21
CSCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525331	1	50	0.0	-74.93	399.81	4.56	-70.37
COC[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525332	0	50	0.0	-77.17	387.80	2.27	-74.90
COC[C@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525332	1	50	0.0	-78.67	388.20	2.39	-76.28
CC[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525333	0	49	0.0	-75.63	375.95	4.04	-71.59
CC[C@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525333	1	49	0.0	-77.03	376.34	4.14	-72.89
CN1CC[NH+](CCCCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012525334	0	56	0.0	-74.70	440.49	7.17	-67.53
C[NH+]1CCN(CCCCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012525334	1	56	0.0	-75.03	440.88	7.29	-67.74
CCC(C)CC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525335	0	58	0.0	-76.03	432.88	5.99	-70.04
CCC(C)CC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525335	1	58	0.0	-76.76	432.44	6.11	-70.65
C=CCCCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525336	0	56	0.0	-75.24	431.75	6.14	-69.10
C=CCCCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525336	1	56	0.0	-76.56	432.14	6.26	-70.30
CN1CC[NH+](CCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012525337	0	56	0.0	-74.63	440.48	7.17	-67.46
C[NH+]1CCN(CCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012525337	1	56	0.0	-76.14	441.12	7.22	-68.92
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012525338	0	59	0.0	-80.84	451.99	8.29	-72.55
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012525338	1	59	0.0	-82.54	453.38	8.38	-74.16
CN1CC[NH+](CCCCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012525339	0	51	0.0	-82.78	385.86	7.07	-75.71
C[NH+]1CCN(CCCCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012525339	1	51	0.0	-83.11	386.25	7.18	-75.93
CN1CC[NH+](CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525340	0	56	0.0	-77.94	419.91	6.88	-71.06
C[NH+]1CCN(CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525340	1	56	0.0	-79.87	420.29	7.00	-72.87
CN1CC[NH+](CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012525341	0	50	0.0	-82.37	375.46	5.63	-76.74
C[NH+]1CCN(CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012525341	1	50	0.0	-82.79	375.87	5.74	-77.05
CCCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525342	0	52	0.0	-75.06	396.61	4.81	-70.25
CCCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525342	1	52	0.0	-76.89	397.84	4.92	-71.97
CC(C)[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525343	0	52	0.0	-76.14	388.06	4.36	-71.78
CC(C)[C@@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525343	1	52	0.0	-76.57	393.38	4.73	-71.84
CN1CC[NH+](CCCCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012525344	0	54	0.0	-88.16	396.34	7.49	-80.67
C[NH+]1CCN(CCCCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012525344	1	54	0.0	-88.92	396.41	7.62	-81.30
CCN(C(=O)NCCCC[NH+]1CCN(C)CC1)C(C)(C)C(=O)[O-]	REAL300012525345	0	55	0.0	-78.75	400.67	6.81	-71.94
CCN(C(=O)NCCCCN1CC[NH+](C)CC1)C(C)(C)C(=O)[O-]	REAL300012525345	1	55	0.0	-79.76	401.06	6.92	-72.84
CCCN(C(=O)NCCCC[NH+]1CCN(C)CC1)C(C)C(=O)[O-]	REAL300012525346	0	55	0.0	-58.15	406.04	7.48	-50.67
CCCN(C(=O)NCCCCN1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012525346	1	55	0.0	-72.11	405.42	6.68	-65.43
CN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012525347	0	49	0.0	-70.80	388.50	6.35	-64.45
C[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012525347	1	49	0.0	-71.05	388.88	6.47	-64.58
CN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012525348	0	49	0.0	-70.80	388.50	6.35	-64.45
C[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012525348	1	49	0.0	-71.05	388.88	6.47	-64.58
CN(C(=O)NCCCC[NH+]1CCN(C)CC1)C(C)(C)C(=O)[O-]	REAL300012525349	0	52	0.0	-78.81	381.18	5.91	-72.90
CN(C(=O)NCCCCN1CC[NH+](C)CC1)C(C)(C)C(=O)[O-]	REAL300012525349	1	52	0.0	-79.73	381.57	6.03	-73.70
CN1CC[NH+](CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012525350	0	50	0.0	-81.78	374.69	5.95	-75.83
C[NH+]1CCN(CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012525350	1	50	0.0	-83.31	375.08	6.06	-77.25
CN1CC[NH+](CCCCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012525351	0	62	0.0	-63.30	462.22	4.32	-58.98
C[NH+]1CCN(CCCCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012525351	1	62	0.0	-65.59	461.44	4.29	-61.30
CN1CC[NH+](CCCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012525352	0	51	0.0	-84.09	386.71	2.25	-81.84
C[NH+]1CCN(CCCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012525352	1	51	0.0	-84.02	387.11	2.36	-81.66
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525354	0	57	0.0	-60.90	430.49	8.87	-52.03
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525354	1	57	0.0	-65.30	428.52	9.14	-56.16
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCCC[NH+]2CCN(C)CC2)[C@H]1C(=O)[O-]	REAL300012525355	0	60	0.0	-65.84	439.08	9.18	-56.66
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCCCN2CC[NH+](C)CC2)[C@H]1C(=O)[O-]	REAL300012525355	1	60	0.0	-70.23	438.98	9.20	-61.03
CCC[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525356	0	52	0.0	-75.63	397.44	4.80	-70.83
CCC[C@@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525356	1	52	0.0	-75.64	397.60	4.97	-70.67
CN1CC[NH+](CCCCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012525357	0	58	0.0	-74.75	431.91	7.26	-67.49
C[NH+]1CCN(CCCCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012525357	1	58	0.0	-75.56	432.30	7.38	-68.18
CN1CC[NH+](CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525358	0	53	0.0	-77.10	411.88	6.18	-70.92
C[NH+]1CCN(CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525358	1	53	0.0	-78.28	412.51	6.22	-72.06
CN1CC[NH+](CCCCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012525359	0	58	0.0	-77.26	452.23	6.05	-71.21
C[NH+]1CCN(CCCCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012525359	1	58	0.0	-77.07	452.38	6.23	-70.84
C=CCCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525360	0	53	0.0	-74.70	409.42	5.38	-69.32
C=CCCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525360	1	53	0.0	-76.11	409.82	5.48	-70.63
CN1CC[NH+](CCCCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012525361	0	52	0.0	-73.11	420.31	4.05	-69.06
C[NH+]1CCN(CCCCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012525361	1	52	0.0	-78.39	421.04	4.22	-74.17
CN1CC[NH+](CCCCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012525362	0	53	0.0	-91.13	405.20	3.50	-87.63
C[NH+]1CCN(CCCCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012525362	1	53	0.0	-90.89	405.59	3.61	-87.28
CN1CC[NH+](CCCCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012525363	0	54	0.0	-76.75	402.75	5.22	-71.53
CN1CC(C(=O)[O-])N(C(=O)NCCCCN2CC[NH+](C)CC2)CC1=O	REAL300012525363	1	54	0.0	-77.82	403.36	5.31	-72.51
CN1CC[NH+](CCCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012525364	0	53	0.0	-81.75	391.83	6.50	-75.25
C[NH+]1CCN(CCCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012525364	1	53	0.0	-82.32	392.19	6.61	-75.71
CC(C)[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525365	0	52	0.0	-76.06	392.99	4.61	-71.45
CC(C)[C@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525365	1	52	0.0	-75.98	390.52	4.69	-71.29
CN1CC[NH+](CCCCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525366	0	53	0.0	-76.73	411.48	6.13	-70.60
C[NH+]1CCN(CCCCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525366	1	53	0.0	-79.06	412.47	6.21	-72.85
CN1CC[NH+](CCCCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012525367	0	56	0.0	-79.08	421.56	5.43	-73.65
C[NH+]1CCN(CCCCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012525367	1	56	0.0	-79.34	426.31	5.58	-73.76
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525368	0	49	0.0	-71.17	366.47	4.99	-66.18
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525368	1	49	0.0	-72.43	366.43	5.21	-67.22
CCC[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525369	0	52	0.0	-74.95	396.63	4.82	-70.13
CCC[C@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525369	1	52	0.0	-76.92	397.84	4.91	-72.01
CCN(C(=O)NCCCC[NH+]1CCN(C)CC1)C(C)C(=O)[O-]	REAL300012525370	0	52	0.0	-76.76	386.72	6.55	-70.21
CCN(C(=O)NCCCCN1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012525370	1	52	0.0	-71.56	383.54	5.88	-65.68
CN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012525371	0	56	0.0	-62.12	410.22	7.41	-54.71
C[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012525371	1	56	0.0	-65.05	410.61	7.53	-57.52
CC(CN(C)C(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525372	0	52	0.0	-75.04	386.30	5.50	-69.54
CC(CN(C)C(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525372	1	52	0.0	-74.18	386.69	5.62	-68.56
CC[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525373	0	55	0.0	-75.92	406.47	5.03	-70.89
CC[C@H](C)[C@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525373	1	55	0.0	-77.96	407.58	5.11	-72.85
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525374	0	52	0.0	-71.64	387.42	6.16	-65.48
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525374	1	52	0.0	-72.53	387.81	6.28	-66.25
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012525375	0	54	0.0	-85.21	407.61	1.93	-83.28
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012525375	1	54	0.0	-87.07	408.00	2.04	-85.03
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525376	0	62	0.0	-78.36	459.40	5.28	-73.08
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525376	1	62	0.0	-80.02	459.82	5.46	-74.56
CC1CCC(NC(=O)NCCCC[NH+]2CCN(C)CC2)(C(=O)[O-])C1	REAL300012525377	0	56	0.0	-79.82	412.01	5.77	-74.05
CC1CCC(NC(=O)NCCCCN2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012525377	1	56	0.0	-80.65	412.41	5.88	-74.77
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012525378	0	59	0.0	-80.70	419.88	6.38	-74.32
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012525378	1	59	0.0	-81.75	420.27	6.50	-75.25
COCCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525379	0	53	0.0	-75.18	408.79	3.10	-72.08
COCCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525379	1	53	0.0	-76.79	410.01	3.21	-73.58
CN(C(=O)NCCCC[NH+]1CCN(C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012525380	0	59	0.0	-75.11	444.90	9.11	-66.00
CN(C(=O)NCCCCN1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012525380	1	59	0.0	-74.06	443.33	9.08	-64.98
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012525381	0	56	0.0	-81.11	413.27	6.44	-74.67
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012525381	1	56	0.0	-82.93	413.67	6.56	-76.37
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012525382	0	53	0.0	-77.40	397.40	5.37	-72.03
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012525382	1	53	0.0	-77.81	397.80	5.49	-72.32
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525383	0	62	0.0	-78.15	460.49	5.27	-72.88
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525383	1	62	0.0	-78.83	460.67	5.39	-73.44
CN1CC[NH+](CCCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012525384	0	51	0.0	-88.12	385.40	2.43	-85.69
C[NH+]1CCN(CCCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012525384	1	51	0.0	-88.44	385.79	2.54	-85.90
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012525385	0	54	0.0	-74.07	410.48	3.17	-70.90
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012525385	1	54	0.0	-76.92	403.44	3.12	-73.80
CN1CC[NH+](CCCCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012525386	0	54	0.0	-86.01	396.67	7.07	-78.94
C[NH+]1CCN(CCCCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012525386	1	54	0.0	-87.43	396.84	7.20	-80.23
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012525387	0	57	0.0	-84.52	443.78	6.24	-78.28
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012525387	1	57	0.0	-85.07	444.17	6.36	-78.71
CN1CC[NH+](CCCCNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012525388	0	52	0.0	-82.80	389.30	4.76	-78.04
C[NH+]1CCN(CCCCNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012525388	1	52	0.0	-83.55	389.72	4.88	-78.67
CC1CCC(C(=O)[O-])N(C(=O)NCCCC[NH+]2CCN(C)CC2)C1	REAL300012525389	0	56	0.0	-85.28	406.87	7.79	-77.49
CC1CCC(C(=O)[O-])N(C(=O)NCCCCN2CC[NH+](C)CC2)C1	REAL300012525389	1	56	0.0	-86.57	407.26	7.91	-78.66
CC(C1=CC=CC=C1)C(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525390	0	59	0.0	-76.01	449.59	7.38	-68.63
CC(C1=CC=CC=C1)C(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525390	1	59	0.0	-77.44	451.49	7.57	-69.87
CN1CC[NH+](CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012525391	0	60	0.0	-75.30	443.94	7.90	-67.40
C[NH+]1CCN(CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012525391	1	60	0.0	-77.65	449.05	7.29	-70.36
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012525392	0	53	0.0	-76.89	396.60	4.93	-71.96
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012525392	1	53	0.0	-77.22	396.47	5.03	-72.19
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012525393	0	66	0.0	-78.11	469.14	6.79	-71.32
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012525393	1	66	0.0	-78.78	469.74	6.90	-71.88
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012525394	0	59	0.0	-77.95	429.71	6.24	-71.71
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012525394	1	59	0.0	-78.29	428.25	6.29	-72.00
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012525395	0	53	0.0	-76.89	396.60	4.93	-71.96
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012525395	1	53	0.0	-77.22	396.47	5.03	-72.19
CC1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)C1C(=O)[O-]	REAL300012525396	0	53	0.0	-83.22	396.07	6.24	-76.98
CC1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)C1C(=O)[O-]	REAL300012525396	1	53	0.0	-84.73	396.45	6.37	-78.36
C=CCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525397	0	50	0.0	-75.36	389.26	4.48	-70.88
C=CCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525397	1	50	0.0	-76.65	389.65	4.60	-72.05
CN1CC[NH+](CCCCNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012525398	0	60	0.0	-78.71	449.33	5.22	-73.49
C[NH+]1CCN(CCCCNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012525398	1	60	0.0	-76.29	448.58	5.87	-70.42
CN1CC[NH+](CCCCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012525399	0	60	0.0	-56.44	425.83	7.85	-48.59
C[NH+]1CCN(CCCCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012525399	1	60	0.0	-64.06	422.18	7.88	-56.18
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012525400	0	60	0.0	-79.45	425.99	5.05	-74.40
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012525400	1	60	0.0	-79.85	426.38	5.16	-74.69
CC1=CC=CC2=C1CCN(C(=O)NCCCC[NH+]1CCN(C)CC1)C2C(=O)[O-]	REAL300012525401	0	60	0.0	-67.40	444.45	9.07	-58.33
CC1=CC=CC2=C1CCN(C(=O)NCCCCN1CC[NH+](C)CC1)C2C(=O)[O-]	REAL300012525401	1	60	0.0	-70.99	444.85	9.19	-61.80
CN1CC[NH+](CCCCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012525402	0	54	0.0	-60.77	397.70	6.96	-53.81
C[NH+]1CCN(CCCCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012525402	1	54	0.0	-65.84	397.88	7.08	-58.76
CN1CC[NH+](CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012525403	0	60	0.0	-75.30	443.94	7.90	-67.40
C[NH+]1CCN(CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012525403	1	60	0.0	-77.65	449.05	7.29	-70.36
CN1CC[NH+](CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012525404	0	56	0.0	-78.24	440.55	7.17	-71.07
C[NH+]1CCN(CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012525404	1	56	0.0	-78.15	440.93	7.29	-70.86
COC1CC(NC(=O)NCCCC[NH+]2CCN(C)CC2)(C(=O)[O-])C1	REAL300012525405	0	54	0.0	-82.67	410.53	3.71	-78.96
COC1CC(NC(=O)NCCCCN2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012525405	1	54	0.0	-78.30	409.07	3.73	-74.57
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012525406	0	50	0.0	-78.47	385.50	4.77	-73.70
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012525406	1	50	0.0	-78.94	385.89	4.89	-74.05
CO[C@H]1C[C@](NC(=O)NCCCC[NH+]2CCN(C)CC2)(C(=O)[O-])C1	REAL300012525407	0	54	0.0	-78.45	409.02	4.00	-74.45
CO[C@H]1C[C@](NC(=O)NCCCCN2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012525407	1	54	0.0	-80.60	409.41	4.12	-76.48
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012525408	0	53	0.0	-77.34	413.91	5.80	-71.54
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012525408	1	53	0.0	-77.81	416.46	5.90	-71.91
CCC1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525409	0	56	0.0	-82.65	407.60	7.64	-75.01
CCC1(C(=O)[O-])CCCN1C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525409	1	56	0.0	-84.55	405.48	7.83	-76.72
CN1CC[NH+](CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012525410	0	49	0.0	-69.57	391.04	4.75	-64.82
C[NH+]1CCN(CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012525410	1	49	0.0	-70.95	391.44	4.87	-66.08
CN1CC[NH+](CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012525411	0	57	0.0	-75.72	430.84	4.09	-71.63
C[NH+]1CCN(CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012525411	1	57	0.0	-74.67	425.53	3.89	-70.78
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012525412	0	48	0.0	-74.32	368.05	1.77	-72.55
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012525412	1	48	0.0	-74.96	368.29	1.90	-73.06
CN1CC[NH+](CCCCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012525413	0	53	0.0	-74.77	426.34	6.10	-68.67
C[NH+]1CCN(CCCCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012525413	1	53	0.0	-77.56	425.80	6.24	-71.32
COCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012525414	0	60	0.0	-77.13	452.87	6.08	-71.05
COCC(NC(=O)NCCCCN1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012525414	1	60	0.0	-78.76	453.48	6.22	-72.54
CC(C)C(C)(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525415	0	55	0.0	-76.60	396.81	5.09	-71.51
CC(C)C(C)(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525415	1	55	0.0	-78.61	397.21	5.21	-73.40
CN1CC[NH+](CCCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012525416	0	51	0.0	-86.20	382.38	7.09	-79.11
C[NH+]1CCN(CCCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012525416	1	51	0.0	-86.01	381.17	7.18	-78.83
CN1CC[NH+](CCCCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012525417	0	54	0.0	-83.74	397.95	6.70	-77.04
C[NH+]1CCN(CCCCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012525417	1	54	0.0	-84.33	398.34	6.81	-77.52
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525418	0	59	0.0	-57.64	442.00	9.68	-47.96
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525418	1	59	0.0	-77.10	444.02	9.73	-67.37
CN1CC[NH+](CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012525419	0	62	0.0	-76.30	456.33	7.24	-69.06
C[NH+]1CCN(CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012525419	1	62	0.0	-76.75	456.66	7.34	-69.41
CN1CC[NH+](CCCCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525420	0	59	0.0	-76.03	456.52	7.83	-68.20
C[NH+]1CCN(CCCCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525420	1	59	0.0	-77.86	457.74	7.93	-69.93
CN1CC[NH+](CCCCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525421	0	59	0.0	-76.68	457.35	7.82	-68.86
C[NH+]1CCN(CCCCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525421	1	59	0.0	-76.69	457.50	8.00	-68.69
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012525422	0	60	0.0	-77.32	437.49	6.83	-70.49
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012525422	1	60	0.0	-79.01	438.62	6.79	-72.22
CN1CC[NH+](CCCCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012525423	0	62	0.0	-76.46	456.30	7.24	-69.22
C[NH+]1CCN(CCCCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012525423	1	62	0.0	-76.36	456.42	7.41	-68.95
CN1CC[NH+](CCCCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012525424	0	62	0.0	-75.90	456.07	7.31	-68.59
C[NH+]1CCN(CCCCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012525424	1	62	0.0	-77.76	456.67	7.35	-70.41
CN1CC[NH+](CCCCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012525425	0	60	0.0	-60.04	437.36	7.86	-52.18
C[NH+]1CCN(CCCCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012525425	1	60	0.0	-64.61	436.60	7.83	-56.78
CN1CC[NH+](CCCCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012525426	0	60	0.0	-84.22	432.18	7.71	-76.51
C[NH+]1CCN(CCCCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012525426	1	60	0.0	-84.47	432.84	7.84	-76.63
COC1=CC=C(CC(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])C=C1	REAL300012525427	0	60	0.0	-78.26	463.87	6.34	-71.92
COC1=CC=C(CC(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012525427	1	60	0.0	-78.28	464.20	6.47	-71.81
C=CCSCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525428	0	54	0.0	-73.48	433.69	5.90	-67.58
C=CCSCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525428	1	54	0.0	-74.99	434.08	6.01	-68.98
CN1CC[NH+](CCCCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012525429	0	57	0.0	-76.20	455.23	7.43	-68.77
C[NH+]1CCN(CCCCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012525429	1	57	0.0	-77.02	455.55	7.56	-69.46
CCC(C(=O)[O-])N(CC)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525430	0	55	0.0	-77.85	401.95	7.47	-70.38
CCC(C(=O)[O-])N(CC)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525430	1	55	0.0	-78.54	402.35	7.59	-70.95
COC1(C(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])CCC1	REAL300012525431	0	57	0.0	-73.02	422.89	3.66	-69.36
COC1(C(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])CCC1	REAL300012525431	1	57	0.0	-74.62	423.93	3.82	-70.80
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012525432	0	59	0.0	-79.98	437.86	7.07	-72.91
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012525432	1	59	0.0	-80.31	438.26	7.19	-73.12
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012525433	0	60	0.0	-80.33	443.38	8.16	-72.17
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012525433	1	60	0.0	-82.69	443.78	8.28	-74.41
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012525434	0	53	0.0	-75.87	411.03	5.64	-70.23
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012525434	1	53	0.0	-84.56	409.29	5.69	-78.87
CC(C)C1=CC=C(C(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])C=C1	REAL300012525436	0	62	0.0	-76.55	472.08	8.11	-68.44
CC(C)C1=CC=C(C(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012525436	1	62	0.0	-77.53	472.50	8.23	-69.30
CN1CC[NH+](CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012525437	0	50	0.0	-79.32	381.20	6.03	-73.29
C[NH+]1CCN(CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012525437	1	50	0.0	-80.52	381.59	6.15	-74.37
CN1CC[NH+](CCCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012525438	0	52	0.0	-60.14	390.78	6.77	-53.37
C[NH+]1CCN(CCCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012525438	1	52	0.0	-66.47	391.18	6.87	-59.60
CN1CC[NH+](CCCCNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012525439	0	56	0.0	-83.97	410.84	6.59	-77.38
C[NH+]1CCN(CCCCNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012525439	1	56	0.0	-84.57	411.24	6.71	-77.86
CCOC1=CC=C(C(NC(=O)NCCCC[NH+]2CCN(C)CC2)C(=O)[O-])C=C1	REAL300012525440	0	60	0.0	-76.69	463.45	6.32	-70.37
CCOC1=CC=C(C(NC(=O)NCCCCN2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012525440	1	60	0.0	-78.20	463.82	6.44	-71.76
CN1CC[NH+](CCCCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012525441	0	60	0.0	-84.70	431.24	8.61	-76.09
C[NH+]1CCN(CCCCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012525441	1	60	0.0	-85.63	431.62	8.73	-76.90
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012525442	0	60	0.0	-77.44	454.23	8.10	-69.34
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012525442	1	60	0.0	-78.84	453.97	8.67	-70.17
CN1CC[NH+](CCCCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525443	0	60	0.0	-81.86	454.53	7.15	-74.71
C[NH+]1CCN(CCCCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525443	1	60	0.0	-82.67	454.93	7.27	-75.40
CN1CC[NH+](CCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012525444	0	56	0.0	-79.17	448.09	7.09	-72.08
C[NH+]1CCN(CCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012525444	1	56	0.0	-80.45	448.73	7.15	-73.30
CC(C)CCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525445	0	58	0.0	-75.14	435.68	6.11	-69.03
CC(C)CCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525445	1	58	0.0	-77.01	436.90	6.21	-70.80
CN1CC[NH+](CCCCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012525446	0	57	0.0	-60.22	421.58	7.43	-52.79
C[NH+]1CCN(CCCCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012525446	1	57	0.0	-64.92	421.98	7.54	-57.38
CN1CC[NH+](CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012525447	0	57	0.0	-75.72	430.84	4.09	-71.63
C[NH+]1CCN(CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012525447	1	57	0.0	-74.67	425.53	3.89	-70.78
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CCN(C)CC2)C1	REAL300012525448	0	54	0.0	-79.72	417.49	7.09	-72.63
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCCN2CC[NH+](C)CC2)C1	REAL300012525448	1	54	0.0	-80.97	418.18	7.24	-73.73
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012525449	0	57	0.0	-79.36	414.02	6.62	-72.74
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012525449	1	57	0.0	-80.35	414.41	6.74	-73.61
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012525450	0	54	0.0	-81.12	398.44	5.97	-75.15
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012525450	1	54	0.0	-83.01	398.83	6.09	-76.92
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012525451	0	57	0.0	-79.59	419.70	6.36	-73.23
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012525451	1	57	0.0	-80.62	420.09	6.48	-74.14
CN(C(=O)NCCCC[NH+]1CCN(C)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012525452	0	59	0.0	-75.47	444.90	9.00	-66.47
CN(C(=O)NCCCCN1CC[NH+](C)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012525452	1	59	0.0	-74.60	445.35	9.21	-65.39
CN1CC[NH+](CCCCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012525453	0	63	0.0	-60.12	450.66	8.41	-51.71
C[NH+]1CCN(CCCCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012525453	1	63	0.0	-64.73	451.03	8.52	-56.21
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012525454	0	56	0.0	-76.87	412.42	5.52	-71.35
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012525454	1	56	0.0	-77.05	418.12	5.87	-71.18
CO[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525455	0	53	0.0	-76.95	405.95	3.27	-73.68
CO[C@H](C)[C@H](NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525455	1	53	0.0	-78.47	406.34	3.39	-75.08
CC1[C@@H](C)[C@@]1(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525456	0	53	0.0	-82.51	398.96	5.77	-76.74
CC1[C@@H](C)[C@@]1(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525456	1	53	0.0	-83.49	399.35	5.88	-77.61
CN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012525457	0	56	0.0	-61.24	426.80	8.55	-52.69
C[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012525457	1	56	0.0	-67.22	433.27	8.96	-58.26
CN1CC[NH+](CCCCNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012525458	0	56	0.0	-60.33	414.56	6.74	-53.59
C[NH+]1CCN(CCCCNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012525458	1	56	0.0	-64.96	414.96	6.85	-58.11
CN1CC[NH+](CCCCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012525459	0	53	0.0	-82.21	397.06	7.06	-75.15
C[NH+]1CCN(CCCCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012525459	1	53	0.0	-82.44	397.30	7.22	-75.22
CN1CC[NH+](CCCCNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012525460	0	50	0.0	-84.71	386.38	6.08	-78.63
C[NH+]1CCN(CCCCNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012525460	1	50	0.0	-85.54	386.77	6.19	-79.35
CN1CC[NH+](CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012525461	0	56	0.0	-78.24	440.55	7.17	-71.07
C[NH+]1CCN(CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012525461	1	56	0.0	-78.15	440.93	7.29	-70.86
CN1CC[NH+](CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012525462	0	53	0.0	-75.40	424.96	6.04	-69.36
C[NH+]1CCN(CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012525462	1	53	0.0	-76.14	425.60	6.09	-70.05
CN1CC[NH+](CCCCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012525463	0	53	0.0	-74.52	403.89	6.61	-67.91
C[NH+]1CCN(CCCCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012525463	1	53	0.0	-74.07	403.12	6.59	-67.48
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012525464	0	57	0.0	-80.32	439.11	6.78	-73.54
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012525464	1	57	0.0	-81.11	439.52	6.89	-74.22
CN1CC[NH+](CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012525465	0	53	0.0	-75.40	424.96	6.04	-69.36
C[NH+]1CCN(CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012525465	1	53	0.0	-76.14	425.60	6.09	-70.05
CN1CC[NH+](CCCCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012525466	0	57	0.0	-84.87	413.14	7.31	-77.56
C[NH+]1CCN(CCCCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012525466	1	57	0.0	-85.05	413.99	7.45	-77.60
COCCCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525467	0	56	0.0	-74.57	430.28	3.89	-70.68
COCCCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525467	1	56	0.0	-76.06	430.68	3.99	-72.07
CCCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525468	0	55	0.0	-72.79	407.87	6.79	-66.00
CCCC(C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525468	1	55	0.0	-73.37	408.26	6.91	-66.46
CCOCC(NC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012525469	0	53	0.0	-77.68	409.66	3.25	-74.43
CCOCC(NC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012525469	1	53	0.0	-78.98	410.05	3.36	-75.62
CN1CC[NH+](CCCCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012525470	0	58	0.0	-76.12	426.78	6.42	-69.70
C[NH+]1CCN(CCCCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012525470	1	58	0.0	-76.65	427.17	6.54	-70.11
CN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012525471	0	57	0.0	-78.29	426.70	4.57	-73.72
C[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012525471	1	57	0.0	-79.93	427.09	4.69	-75.24
CN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012525472	0	57	0.0	-79.01	430.06	7.28	-71.73
C[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012525472	1	57	0.0	-80.31	430.45	7.40	-72.91
C[C@H]1OCCN(C(=O)NCCCC[NH+]2CCN(C)CC2)[C@@H]1C(=O)[O-]	REAL300012525473	0	54	0.0	-82.26	396.72	5.18	-77.08
C[C@H]1OCCN(C(=O)NCCCCN2CC[NH+](C)CC2)[C@@H]1C(=O)[O-]	REAL300012525473	1	54	0.0	-84.87	397.75	5.63	-79.24
CN1CC[NH+](CCCCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012525474	0	56	0.0	-74.56	417.69	6.93	-67.63
C[NH+]1CCN(CCCCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012525474	1	56	0.0	-74.10	417.76	7.05	-67.05
CN1CC[NH+](CCCCNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012525475	0	50	0.0	-75.99	395.96	4.54	-71.45
C[NH+]1CCN(CCCCNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012525475	1	50	0.0	-76.93	396.34	4.66	-72.27
CN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012525476	0	53	0.0	-64.49	408.91	6.74	-57.75
C[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012525476	1	53	0.0	-67.10	409.33	6.85	-60.25
CN1CC[NH+](CCCCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012525477	0	64	0.0	-83.74	448.02	7.52	-76.22
C[NH+]1CCN(CCCCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012525477	1	64	0.0	-84.95	448.35	7.63	-77.32
CN1CC[NH+](CCCCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012525478	0	55	0.0	-76.60	446.19	5.69	-70.91
C[NH+]1CCN(CCCCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012525478	1	55	0.0	-77.15	446.34	5.88	-71.27
C[C@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300012525479	0	49	0.0	-72.11	365.92	4.94	-67.17
C[C@H](C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](C)CC1	REAL300012525479	1	49	0.0	-71.71	366.29	5.15	-66.56
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CCN(C)CC2)C1	REAL300012525480	0	57	0.0	-82.70	430.54	5.61	-77.09
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCCN2CC[NH+](C)CC2)C1	REAL300012525480	1	57	0.0	-83.69	430.20	6.02	-77.67
CC(C)C[C@H](NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525481	0	56	0.0	-74.84	412.23	8.53	-66.31
CC(C)C[C@H](NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525481	1	56	0.0	-74.51	418.18	8.49	-66.02
C=CCOCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525482	0	55	0.0	-75.98	426.44	6.96	-69.02
C=CCOCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525482	1	55	0.0	-76.33	426.94	6.96	-69.37
C=CC(C)C(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525483	0	54	0.0	-75.29	405.12	8.10	-67.19
C=CC(C)C(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525483	1	54	0.0	-73.15	410.33	8.34	-64.81
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012525484	0	58	0.0	-75.90	430.31	7.22	-68.68
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012525484	1	58	0.0	-78.38	424.80	6.97	-71.41
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012525485	0	54	0.0	-70.26	422.44	9.38	-60.88
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012525485	1	54	0.0	-70.66	429.16	9.38	-61.28
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012525486	0	54	0.0	-69.84	432.09	9.92	-59.92
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012525486	1	54	0.0	-70.61	439.05	9.83	-60.78
COC1CCN(C(=O)NCCCC[N@@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012525487	0	58	0.0	-85.10	420.50	9.20	-75.90
COC1CCN(C(=O)NCCCC[N@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012525487	1	58	0.0	-84.25	422.33	9.08	-75.17
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012525488	0	58	0.0	-73.62	428.30	7.28	-66.34
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012525488	1	58	0.0	-73.49	418.03	7.01	-66.48
CC1CCN(C(=O)NCCCC[N@@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012525489	0	57	0.0	-83.90	397.32	10.53	-73.37
CC1CCN(C(=O)NCCCC[N@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012525489	1	57	0.0	-83.83	410.77	10.68	-73.15
CC1=CC(C(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])=CC=C1F	REAL300012525490	0	57	0.0	-72.87	442.94	10.03	-62.84
CC1=CC(C(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])=CC=C1F	REAL300012525490	1	57	0.0	-72.84	442.95	10.03	-62.81
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012525491	0	59	0.0	-75.69	452.14	9.18	-66.51
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012525491	1	59	0.0	-75.65	445.68	9.11	-66.54
CC1=CC(C)=CC(C(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012525492	0	60	0.0	-76.92	458.66	10.60	-66.32
CC1=CC(C)=CC(C(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012525492	1	60	0.0	-77.52	459.27	10.58	-66.94
CC1=CC=C(C(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1C	REAL300012525493	0	60	0.0	-77.04	454.67	10.54	-66.50
CC1=CC=C(C(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1C	REAL300012525493	1	60	0.0	-77.45	454.92	10.45	-67.00
CC1=CC=CC(C(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])=C1C	REAL300012525494	0	60	0.0	-76.01	445.52	10.27	-65.74
CC1=CC=CC(C(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1C	REAL300012525494	1	60	0.0	-76.31	447.20	10.38	-65.93
COC1=CC=C(C(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1F	REAL300012525495	0	58	0.0	-73.81	445.43	8.65	-65.16
COC1=CC=C(C(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1F	REAL300012525495	1	58	0.0	-73.68	451.56	8.65	-65.03
CCCN(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525496	0	53	0.0	-61.17	393.00	9.76	-51.41
CCCN(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525496	1	53	0.0	-61.88	399.74	9.75	-52.13
CC(C(=O)[O-])N(C(=O)NCCCC[N@@H+]1CCCC(C)C1)C1CCC1	REAL300012525497	0	57	0.0	-56.51	401.41	10.84	-45.67
CC(C(=O)[O-])N(C(=O)NCCCC[N@H+]1CCCC(C)C1)C1CCC1	REAL300012525497	1	57	0.0	-56.96	408.14	10.83	-46.13
CCCN(C(=O)NCCCC[N@@H+]1CCCC(C)C1)C(COC)C(=O)[O-]	REAL300012525498	0	60	0.0	-73.05	430.79	9.36	-63.69
CCCN(C(=O)NCCCC[N@H+]1CCCC(C)C1)C(COC)C(=O)[O-]	REAL300012525498	1	60	0.0	-78.08	441.66	10.76	-67.32
CCCN(C(=O)NCCCC[N@@H+]1CCCC(C)C1)C(CC)C(=O)[O-]	REAL300012525499	0	59	0.0	-57.61	424.51	11.40	-46.21
CCCN(C(=O)NCCCC[N@H+]1CCCC(C)C1)C(CC)C(=O)[O-]	REAL300012525499	1	59	0.0	-57.40	422.85	11.44	-45.96
CC(C)C(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525500	0	53	0.0	-74.49	391.76	7.59	-66.90
CC(C)C(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525500	1	53	0.0	-74.13	395.43	7.79	-66.34
CC1CCC[N@H+](CCCCNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012525501	0	54	0.0	-83.58	383.23	10.17	-73.41
CC1CCC[N@@H+](CCCCNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012525501	1	54	0.0	-85.06	390.52	10.39	-74.67
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012525502	0	54	0.0	-72.82	433.18	9.77	-63.05
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012525502	1	54	0.0	-72.39	426.47	9.78	-62.61
CC1CCC[N@H+](CCCCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012525503	0	52	0.0	-82.03	383.73	10.30	-71.73
CC1CCC[N@@H+](CCCCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012525503	1	52	0.0	-82.47	383.94	10.36	-72.11
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012525504	0	57	0.0	-78.61	409.83	9.38	-69.23
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012525504	1	57	0.0	-78.31	403.09	9.41	-68.90
CC1CCC[N@H+](CCCCNC(=O)N2CCCC2C(=O)[O-])C1	REAL300012525505	0	51	0.0	-80.99	379.04	9.09	-71.90
CC1CCC[N@@H+](CCCCNC(=O)N2CCCC2C(=O)[O-])C1	REAL300012525505	1	51	0.0	-80.69	372.31	9.11	-71.58
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012525506	0	54	0.0	-78.42	388.55	8.33	-70.09
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012525506	1	54	0.0	-78.71	395.33	8.30	-70.41
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012525507	0	60	0.0	-78.89	408.74	10.08	-68.81
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012525507	1	60	0.0	-79.29	415.50	10.06	-69.23
CC1CCC[N@H+](CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525508	0	57	0.0	-76.16	438.50	10.26	-65.90
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525508	1	57	0.0	-75.96	437.86	10.20	-65.76
CC1CCC[N@H+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012525509	0	57	0.0	-62.13	437.24	11.99	-50.14
CC1CCC[N@@H+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012525509	1	57	0.0	-62.18	437.25	11.99	-50.19
CC1CCC[N@H+](CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525510	0	54	0.0	-76.57	416.49	9.26	-67.31
CC1CCC[N@@H+](CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525510	1	54	0.0	-76.23	416.26	9.33	-66.90
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525511	0	54	0.0	-76.57	416.49	9.26	-67.31
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525511	1	54	0.0	-75.89	409.49	9.35	-66.54
CC(C)C(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525512	0	53	0.0	-74.49	391.76	7.59	-66.90
CC(C)C(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525512	1	53	0.0	-74.13	395.43	7.79	-66.34
CC1CCC[N@H+](CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525513	0	57	0.0	-76.16	438.50	10.26	-65.90
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525513	1	57	0.0	-75.96	437.86	10.20	-65.76
CCC(C)C(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525514	0	56	0.0	-75.83	410.97	8.16	-67.67
CCC(C)C(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525514	1	56	0.0	-75.78	410.97	8.16	-67.62
CC1CCC[N@H+](CCCCNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012525515	0	54	0.0	-83.58	383.23	10.17	-73.41
CC1CCC[N@@H+](CCCCNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012525515	1	54	0.0	-85.06	390.52	10.39	-74.67
CCCC(C)(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525516	0	56	0.0	-74.99	405.96	8.30	-66.69
CCCC(C)(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525516	1	56	0.0	-75.01	405.95	8.31	-66.70
CC(C)N(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525517	0	53	0.0	-74.33	387.95	9.24	-65.09
CC(C)N(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525517	1	53	0.0	-61.92	390.14	9.40	-52.52
CC1CCC[N@H+](CCCCNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012525518	0	51	0.0	-74.67	376.45	9.40	-65.27
CC1CCC[N@@H+](CCCCNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012525518	1	51	0.0	-62.94	381.52	9.51	-53.43
C=CCN(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525519	0	51	0.0	-61.67	391.05	9.55	-52.12
C=CCN(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525519	1	51	0.0	-61.63	391.06	9.55	-52.08
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525520	0	56	0.0	-61.15	407.66	10.28	-50.87
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525520	1	56	0.0	-61.84	414.40	10.26	-51.58
CC1CCC[N@H+](CCCCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012525521	0	58	0.0	-84.51	428.11	12.28	-72.23
CC1CCC[N@@H+](CCCCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012525521	1	58	0.0	-84.81	421.68	12.34	-72.47
CC1CCC[N@H+](CCCCNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012525522	0	54	0.0	-75.76	393.90	8.31	-67.45
CC1CCC[N@@H+](CCCCNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012525522	1	54	0.0	-75.49	387.15	8.33	-67.16
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012525523	0	51	0.0	-74.61	408.09	8.33	-66.28
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012525523	1	51	0.0	-74.28	401.36	8.36	-65.92
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012525524	0	57	0.0	-78.61	409.83	9.38	-69.23
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012525524	1	57	0.0	-78.31	403.09	9.41	-68.90
CC1CCC[N@H+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012525525	0	57	0.0	-59.71	453.97	12.51	-47.20
CC1CCC[N@@H+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012525525	1	57	0.0	-59.70	453.98	12.51	-47.19
CC(C)N(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525526	0	53	0.0	-74.33	387.95	9.24	-65.09
CC(C)N(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525526	1	53	0.0	-61.92	390.14	9.40	-52.52
CCCN(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525527	0	53	0.0	-61.17	393.00	9.76	-51.41
CCCN(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525527	1	53	0.0	-61.88	399.74	9.75	-52.13
CC[C@H](C)[C@H](NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525528	0	56	0.0	-74.66	409.90	8.12	-66.54
CC[C@H](C)[C@H](NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525528	1	56	0.0	-74.65	409.89	8.12	-66.53
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012525529	0	54	0.0	-78.42	388.55	8.33	-70.09
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012525529	1	54	0.0	-78.71	395.33	8.30	-70.41
CC1CCC[N@H+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012525530	0	57	0.0	-59.83	443.65	12.06	-47.77
CC1CCC[N@@H+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012525530	1	57	0.0	-59.84	443.66	12.06	-47.78
CCC(C)(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525531	0	53	0.0	-74.69	384.46	7.55	-67.14
CCC(C)(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525531	1	53	0.0	-74.67	384.45	7.56	-67.11
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012525532	0	58	0.0	-79.04	435.80	10.57	-68.47
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012525532	1	58	0.0	-78.49	429.07	10.59	-67.90
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012525533	0	54	0.0	-75.78	427.07	9.47	-66.31
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012525533	1	54	0.0	-75.76	426.47	9.41	-66.35
CC1CCC[N@H+](CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525534	0	57	0.0	-77.03	424.27	10.03	-67.00
CC1CCC[N@@H+](CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525534	1	57	0.0	-77.03	424.28	10.03	-67.00
CCCCCCC(C)(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525535	0	65	0.0	-75.13	470.45	10.64	-64.49
CCCCCCC(C)(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525535	1	65	0.0	-75.15	470.44	10.64	-64.51
CC1CCC[N@H+](CCCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525536	0	60	0.0	-73.60	447.31	12.11	-61.49
CC1CCC[N@@H+](CCCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525536	1	60	0.0	-74.15	449.25	12.31	-61.84
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012525537	0	54	0.0	-72.82	433.18	9.77	-63.05
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012525537	1	54	0.0	-72.39	426.47	9.78	-62.61
CC1CCC[N@H+](CCCCNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012525538	0	52	0.0	-80.50	374.25	7.71	-72.79
CC1CCC[N@@H+](CCCCNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012525538	1	52	0.0	-81.28	374.80	7.81	-73.47
CC1CCC[N@H+](CCCCNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012525539	0	60	0.0	-79.89	412.36	10.72	-69.17
CC1CCC[N@@H+](CCCCNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012525539	1	60	0.0	-79.88	412.35	10.72	-69.16
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012525540	0	51	0.0	-74.13	387.22	7.66	-66.47
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012525540	1	51	0.0	-73.91	380.47	7.68	-66.23
CC1CCC[N@H+](CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012525541	0	60	0.0	-62.95	459.64	12.78	-50.17
CC1CCC[N@@H+](CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012525541	1	60	0.0	-61.87	447.70	12.57	-49.30
CC1CCC[N@H+](CCCCNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525542	0	57	0.0	-73.30	424.41	10.90	-62.40
CC1CCC[N@@H+](CCCCNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525542	1	57	0.0	-72.72	417.60	10.95	-61.77
COCCN(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525543	0	54	0.0	-62.43	402.88	8.53	-53.90
COCCN(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525543	1	54	0.0	-62.56	409.62	8.17	-54.39
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012525544	0	58	0.0	-81.64	431.17	10.35	-71.29
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012525544	1	58	0.0	-81.38	431.18	10.35	-71.03
CC1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012525545	0	51	0.0	-81.13	373.11	8.80	-72.33
CC1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012525545	1	51	0.0	-81.45	379.87	8.78	-72.67
CC1CCC[N@H+](CCCCNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012525546	0	54	0.0	-83.34	383.19	10.12	-73.22
CC1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012525546	1	54	0.0	-83.53	383.33	10.14	-73.39
CC1CCC[N@H+](CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012525547	0	51	0.0	-80.54	372.35	9.11	-71.43
CC1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012525547	1	51	0.0	-81.00	379.06	9.10	-71.90
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012525548	0	51	0.0	-79.62	381.44	7.90	-71.72
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012525548	1	51	0.0	-79.58	381.45	7.90	-71.68
C=CCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525549	0	51	0.0	-73.72	392.79	7.64	-66.08
C=CCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525549	1	51	0.0	-74.42	393.63	7.63	-66.79
CC1CCC[N@H+](CCCCNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012525550	0	54	0.0	-80.74	396.18	9.63	-71.11
CC1CCC[N@@H+](CCCCNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012525550	1	54	0.0	-80.84	396.19	9.63	-71.21
CC1CCC[N@H+](CCCCNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012525551	0	57	0.0	-83.44	396.49	10.75	-72.69
CC1CCC[N@@H+](CCCCNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012525551	1	57	0.0	-80.75	399.88	11.11	-69.64
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012525552	0	51	0.0	-74.13	387.22	7.66	-66.47
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012525552	1	51	0.0	-73.91	380.47	7.68	-66.23
CCCCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525553	0	56	0.0	-73.77	416.33	8.80	-64.97
CCCCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525553	1	56	0.0	-74.00	422.48	8.75	-65.25
CC1CCC[N@H+](CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012525554	0	60	0.0	-62.95	459.64	12.78	-50.17
CC1CCC[N@@H+](CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012525554	1	60	0.0	-61.87	447.70	12.57	-49.30
CC1CCC[N@H+](CCCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012525555	0	54	0.0	-80.76	396.21	9.65	-71.11
CC1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012525555	1	54	0.0	-80.51	389.56	9.64	-70.87
CC1CCC[N@H+](CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012525556	0	57	0.0	-61.20	414.58	10.56	-50.64
CC1CCC[N@@H+](CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012525556	1	57	0.0	-61.12	414.59	10.56	-50.56
COCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525557	0	51	0.0	-76.26	392.18	5.41	-70.85
COCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525557	1	51	0.0	-75.87	391.68	5.40	-70.47
CCCCCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525558	0	59	0.0	-74.15	438.07	9.52	-64.63
CCCCCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525558	1	59	0.0	-74.02	443.97	9.53	-64.49
CCC1CCC(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)(C(=O)[O-])CC1	REAL300012525559	0	63	0.0	-78.45	448.91	10.63	-67.82
CCC1CCC(NC(=O)NCCCC[N@H+]2CCCC(C)C2)(C(=O)[O-])CC1	REAL300012525559	1	63	0.0	-78.18	442.15	10.66	-67.52
CC1CCC[N@H+](CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012525560	0	58	0.0	-61.55	423.06	8.89	-52.66
CC1CCC[N@@H+](CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012525560	1	58	0.0	-61.58	423.03	8.89	-52.69
CC1CCC[N@H+](CCCCNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012525561	0	57	0.0	-81.23	405.79	9.97	-71.26
CC1CCC[N@@H+](CCCCNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012525561	1	57	0.0	-81.54	400.53	10.24	-71.30
CC(C(=O)[O-])N(C(=O)NCCCC[N@@H+]1CCCC(C)C1)C1CC1	REAL300012525562	0	54	0.0	-63.71	396.62	9.57	-54.14
CC(C(=O)[O-])N(C(=O)NCCCC[N@H+]1CCCC(C)C1)C1CC1	REAL300012525562	1	54	0.0	-70.75	389.23	9.26	-61.49
CCC(C(=O)[O-])N(C(=O)NCCCC[N@@H+]1CCCC(C)C1)C1CC1	REAL300012525563	0	57	0.0	-63.21	417.28	10.77	-52.44
CCC(C(=O)[O-])N(C(=O)NCCCC[N@H+]1CCCC(C)C1)C1CC1	REAL300012525563	1	57	0.0	-63.90	410.44	10.67	-53.23
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012525564	0	54	0.0	-78.19	428.42	9.67	-68.52
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012525564	1	54	0.0	-76.89	421.22	9.76	-67.13
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012525565	0	54	0.0	-82.19	420.87	9.34	-72.85
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012525565	1	54	0.0	-81.28	414.19	9.36	-71.92
CC1CCC[N@H+](CCCCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012525566	0	58	0.0	-64.55	431.37	11.66	-52.89
CC1CCC[N@@H+](CCCCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012525566	1	58	0.0	-64.58	431.38	11.66	-52.92
CC1CCC[N@H+](CCCCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012525567	0	57	0.0	-79.60	453.46	10.43	-69.17
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012525567	1	57	0.0	-79.69	453.47	10.45	-69.24
CC1CCC[N@H+](CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012525568	0	63	0.0	-75.53	460.68	10.39	-65.14
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012525568	1	63	0.0	-75.51	460.65	10.39	-65.12
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525569	0	60	0.0	-61.43	449.43	12.81	-48.62
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525569	1	60	0.0	-61.38	444.87	12.07	-49.31
CC1=CC=C(C(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012525570	0	57	0.0	-76.61	437.90	9.93	-66.68
CC1=CC=C(C(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012525570	1	57	0.0	-76.06	437.26	9.95	-66.11
CC1CCC[N@H+](CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012525571	0	50	0.0	-69.37	396.24	7.87	-61.50
CC1CCC[N@@H+](CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012525571	1	50	0.0	-68.72	395.42	7.90	-60.82
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012525572	0	60	0.0	-78.06	462.45	11.53	-66.53
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012525572	1	60	0.0	-77.68	461.84	11.54	-66.14
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012525573	0	55	0.0	-74.62	407.53	9.08	-65.54
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012525573	1	55	0.0	-74.60	407.54	9.08	-65.52
COCC(C)(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525574	0	54	0.0	-79.06	402.71	6.83	-72.23
COCC(C)(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525574	1	54	0.0	-79.00	402.69	6.84	-72.16
CCOCC(C(=O)[O-])N(C)C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525575	0	57	0.0	-71.66	416.21	8.66	-63.00
CCOCC(C(=O)[O-])N(C)C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525575	1	57	0.0	-72.15	422.45	8.55	-63.60
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525576	0	56	0.0	-61.15	407.66	10.28	-50.87
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525576	1	56	0.0	-61.84	414.40	10.26	-51.58
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525577	0	63	0.0	-59.36	449.11	12.42	-46.94
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525577	1	63	0.0	-58.33	463.86	12.67	-45.66
CC1CCC[N@H+](CCCCNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012525578	0	51	0.0	-74.67	376.45	9.40	-65.27
CC1CCC[N@@H+](CCCCNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012525578	1	51	0.0	-62.94	381.52	9.51	-53.43
CC1CCC[N@H+](CCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012525579	0	53	0.0	-61.41	417.87	10.14	-51.27
CC1CCC[N@@H+](CCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012525579	1	53	0.0	-60.71	411.13	10.14	-50.57
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012525580	0	52	0.0	-74.52	385.91	5.72	-68.80
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012525580	1	52	0.0	-74.00	379.19	5.74	-68.26
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012525581	0	60	0.0	-74.44	436.12	9.59	-64.85
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012525581	1	60	0.0	-77.07	434.06	9.39	-67.68
CC1CCC[N@H+](CCCCNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012525582	0	61	0.0	-73.00	450.11	10.05	-62.95
CC1CCC[N@@H+](CCCCNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012525582	1	61	0.0	-73.02	450.12	10.05	-62.97
CC1CCC[N@H+](CCCCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012525583	0	61	0.0	-84.31	454.39	13.35	-70.96
CC1CCC[N@@H+](CCCCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012525583	1	61	0.0	-84.26	454.40	13.35	-70.91
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012525584	0	55	0.0	-77.67	401.25	6.90	-70.77
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012525584	1	55	0.0	-77.11	394.52	6.91	-70.20
C=CCCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525585	0	54	0.0	-74.41	414.62	8.50	-65.91
C=CCCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525585	1	54	0.0	-74.40	414.63	8.51	-65.89
CC1CCC[N@H+](CCCCNC(=O)NC(CF)C(=O)[O-])C1	REAL300012525586	0	47	0.0	-63.03	361.94	6.20	-56.83
CC1CCC[N@@H+](CCCCNC(=O)NC(CF)C(=O)[O-])C1	REAL300012525586	1	47	0.0	-63.08	361.94	6.20	-56.88
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525587	0	60	0.0	-79.25	440.67	12.89	-66.36
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525587	1	60	0.0	-56.31	447.76	13.04	-43.27
CCC(CC)(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525588	0	56	0.0	-75.89	401.13	8.43	-67.46
CCC(CC)(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525588	1	56	0.0	-75.91	400.83	8.44	-67.47
COC1=CC=C(C(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012525589	0	58	0.0	-76.17	445.95	8.55	-67.62
COC1=CC=C(C(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012525589	1	58	0.0	-76.14	445.94	8.54	-67.60
CCC(C)N(CC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525590	0	56	0.0	-59.43	405.41	10.41	-49.02
CCC(C)N(CC(=O)[O-])C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525590	1	56	0.0	-61.24	408.97	10.32	-50.92
CCC(COC)(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525591	0	57	0.0	-80.35	419.14	7.75	-72.60
CCC(COC)(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525591	1	57	0.0	-80.31	419.37	7.73	-72.58
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525592	0	60	0.0	-72.24	436.48	9.42	-62.82
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525592	1	60	0.0	-72.19	442.72	9.31	-62.88
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012525593	0	57	0.0	-79.39	426.36	5.39	-74.00
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012525593	1	57	0.0	-78.86	419.64	5.40	-73.46
CC1CCC[N@H+](CCCCNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012525594	0	54	0.0	-74.71	411.92	8.73	-65.98
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012525594	1	54	0.0	-74.41	412.20	8.68	-65.73
COCCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525595	0	54	0.0	-74.34	407.25	6.25	-68.09
COCCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525595	1	54	0.0	-74.24	413.15	6.26	-67.98
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525596	0	59	0.0	-71.92	422.75	10.77	-61.15
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525596	1	59	0.0	-72.34	429.49	10.75	-61.59
CC1CCC[N@H+](CCCCNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012525597	0	50	0.0	-69.53	390.10	7.71	-61.82
CC1CCC[N@@H+](CCCCNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012525597	1	50	0.0	-73.49	385.92	7.48	-66.01
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525598	0	60	0.0	-81.67	431.41	11.28	-70.39
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525598	1	60	0.0	-83.68	433.90	11.67	-72.01
CCCN(C(=O)NCCCC[N@@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012525599	0	56	0.0	-71.14	409.99	9.83	-61.31
CCCN(C(=O)NCCCC[N@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012525599	1	56	0.0	-71.16	409.97	9.83	-61.33
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525600	0	60	0.0	-56.36	446.58	12.98	-43.38
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525600	1	60	0.0	-56.74	448.78	13.04	-43.70
CCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012525601	0	60	0.0	-77.82	441.25	10.93	-66.89
CCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012525601	1	60	0.0	-77.89	441.24	10.93	-66.96
COC1CCCC(C(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C1	REAL300012525602	0	64	0.0	-80.14	460.33	8.40	-71.74
COC1CCCC(C(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])C1	REAL300012525602	1	64	0.0	-80.48	467.08	8.38	-72.10
CC1CCC[N@H+](CCCCNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012525603	0	50	0.0	-73.37	386.90	7.32	-66.05
CC1CCC[N@@H+](CCCCNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012525603	1	50	0.0	-72.82	380.17	7.33	-65.49
COC1(CC(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012525604	0	61	0.0	-75.84	443.32	8.63	-67.21
COC1(CC(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012525604	1	61	0.0	-77.14	452.05	8.19	-68.95
CC1CCC[N@H+](CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012525605	0	58	0.0	-61.55	423.06	8.89	-52.66
CC1CCC[N@@H+](CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012525605	1	58	0.0	-61.58	423.03	8.89	-52.69
CC1CCC[N@H+](CCCCNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012525606	0	60	0.0	-61.11	425.24	11.28	-49.83
CC1CCC[N@@H+](CCCCNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012525606	1	60	0.0	-61.54	431.98	11.27	-50.27
CC1CCC[N@@H+](CCCCNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)C1	REAL300012525607	0	60	0.0	-78.83	423.64	9.78	-69.05
CC1CCC[N@H+](CCCCNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)C1	REAL300012525607	1	60	0.0	-78.51	416.89	9.78	-68.73
COC1=CC=CC(C(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012525608	0	58	0.0	-78.83	445.98	8.54	-70.29
COC1=CC=CC(C(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012525608	1	58	0.0	-78.32	445.37	8.57	-69.75
CC1CCC[N@H+](CCCCNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012525609	0	53	0.0	-71.66	391.04	7.70	-63.96
CC1CCC[N@@H+](CCCCNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012525609	1	53	0.0	-71.67	391.05	7.68	-63.99
CC1CCC[N@H+](CCCCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012525610	0	55	0.0	-64.83	413.98	9.84	-54.99
CC1CCC[N@@H+](CCCCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012525610	1	55	0.0	-64.81	413.99	9.84	-54.97
CC1CCC[N@H+](CCCCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012525611	0	51	0.0	-74.28	386.10	8.96	-65.32
CC1CCC[N@@H+](CCCCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012525611	1	51	0.0	-74.64	392.79	8.96	-65.68
COC1=CC=CC([C@H](NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012525612	0	58	0.0	-78.83	445.95	8.55	-70.28
COC1=CC=CC([C@H](NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012525612	1	58	0.0	-78.79	445.94	8.53	-70.26
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCC[N@@H+]2CCCC(C)C2)C1	REAL300012525613	0	60	0.0	-82.96	445.22	11.00	-71.96
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCC[N@H+]2CCCC(C)C2)C1	REAL300012525613	1	60	0.0	-81.55	437.90	10.73	-70.82
COC1=CC=CC(CC(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012525614	0	61	0.0	-75.79	468.19	9.50	-66.29
COC1=CC=CC(CC(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012525614	1	61	0.0	-79.32	468.01	9.56	-69.76
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012525615	0	63	0.0	-79.83	437.74	10.27	-69.56
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012525615	1	63	0.0	-79.62	430.98	10.27	-69.35
CC1CCC[N@H+](CCCCNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012525616	0	52	0.0	-86.45	386.32	9.73	-76.72
CC1CCC[N@@H+](CCCCNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012525616	1	52	0.0	-86.84	380.36	9.72	-77.12
COC1CN(C(=O)NCCCC[N@@H+]2CCCC(C)C2)C(C)(C(=O)[O-])C1	REAL300012525617	0	58	0.0	-80.61	422.72	8.64	-71.97
COC1CN(C(=O)NCCCC[N@H+]2CCCC(C)C2)C(C)(C(=O)[O-])C1	REAL300012525617	1	58	0.0	-80.90	429.47	8.60	-72.30
CC1CCC[N@H+](CCCCNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012525618	0	61	0.0	-74.14	447.52	8.70	-65.44
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012525618	1	61	0.0	-74.21	450.90	8.02	-66.19
CC1CCC[N@H+](CCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012525619	0	56	0.0	-74.24	402.76	8.32	-65.92
CC1CCC[N@@H+](CCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012525619	1	56	0.0	-76.09	411.11	8.29	-67.80
C=C(Cl)CC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525620	0	51	0.0	-74.67	408.74	8.25	-66.42
C=C(Cl)CC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525620	1	51	0.0	-75.37	409.58	8.24	-67.13
C=C(C)CC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525621	0	54	0.0	-74.13	413.33	8.39	-65.74
C=C(C)CC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525621	1	54	0.0	-74.22	413.34	8.39	-65.83
CC1CCC[N@H+](CCCCNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012525622	0	55	0.0	-86.35	398.87	10.52	-75.83
CC1CCC[N@@H+](CCCCNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012525622	1	55	0.0	-88.60	401.49	10.54	-78.06
CC1CCC[N@H+](CCCCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012525623	0	60	0.0	-74.77	448.27	10.44	-64.33
CC1CCC[N@@H+](CCCCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012525623	1	60	0.0	-74.45	441.54	10.47	-63.98
CC1CCC[N@H+](CCCCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012525624	0	51	0.0	-74.16	386.12	8.99	-65.17
CC1CCC[N@@H+](CCCCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012525624	1	51	0.0	-73.93	385.29	9.28	-64.65
CC1CCC[N@H+](CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012525625	0	51	0.0	-78.82	386.30	8.88	-69.94
CC1CCC[N@@H+](CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012525625	1	51	0.0	-78.49	385.57	9.18	-69.31
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[N@H+]2CCCC(C)C2)C1	REAL300012525626	0	52	0.0	-80.82	386.58	9.16	-71.66
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[N@@H+]2CCCC(C)C2)C1	REAL300012525626	1	52	0.0	-81.31	393.27	9.15	-72.16
CC1CCC[N@H+](CCCCNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012525627	0	61	0.0	-75.58	450.94	8.00	-67.58
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012525627	1	61	0.0	-74.89	447.58	8.65	-66.24
CC(C)C[C@H](NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525628	0	56	0.0	-74.84	412.23	8.53	-66.31
CC(C)C[C@H](NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525628	1	56	0.0	-74.51	418.18	8.49	-66.02
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012525629	0	58	0.0	-75.90	430.31	7.22	-68.68
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012525629	1	58	0.0	-78.38	424.80	6.97	-71.41
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525630	0	54	0.0	-76.57	416.49	9.26	-67.31
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525630	1	54	0.0	-75.89	409.49	9.35	-66.54
CC1CCC[N@H+](CCCCNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012525631	0	54	0.0	-74.71	411.92	8.73	-65.98
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012525631	1	54	0.0	-74.41	412.20	8.68	-65.73
CC1CCC[N@H+](CCCCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012525632	0	53	0.0	-73.03	424.46	7.37	-65.66
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012525632	1	53	0.0	-72.93	418.32	7.44	-65.49
CC(C)CCCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525633	0	62	0.0	-74.10	461.55	10.03	-64.07
CC(C)CCCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525633	1	62	0.0	-74.03	461.54	10.04	-63.99
CC1CCC[N@H+](CCCCNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012525634	0	58	0.0	-74.74	434.22	8.11	-66.63
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012525634	1	58	0.0	-78.36	428.87	7.56	-70.80
CSCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525635	0	51	0.0	-71.81	403.12	7.62	-64.19
CSCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525635	1	51	0.0	-71.73	403.11	7.62	-64.11
COC[C@H](NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525636	0	51	0.0	-76.25	392.18	5.41	-70.84
COC[C@H](NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525636	1	51	0.0	-75.89	391.68	5.40	-70.49
CC1CCC[N@H+](CCCCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012525637	0	57	0.0	-73.85	438.42	10.28	-63.57
CC1CCC[N@@H+](CCCCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012525637	1	57	0.0	-74.25	445.16	10.26	-63.99
CCC(C)CC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525638	0	59	0.0	-74.46	436.42	9.15	-65.31
CCC(C)CC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525638	1	59	0.0	-75.10	437.24	9.13	-65.97
C=CCCCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525639	0	57	0.0	-73.60	435.29	9.31	-64.29
C=CCCCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525639	1	57	0.0	-73.70	435.30	9.31	-64.39
CC1CCC[N@H+](CCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012525640	0	57	0.0	-74.28	445.10	10.26	-64.02
CC1CCC[N@@H+](CCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012525640	1	57	0.0	-73.85	438.36	10.28	-63.57
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012525641	0	60	0.0	-80.68	457.28	11.41	-69.27
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012525641	1	60	0.0	-79.65	449.55	11.45	-68.20
CC1CCC[N@H+](CCCCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012525642	0	52	0.0	-82.03	383.73	10.30	-71.73
CC1CCC[N@@H+](CCCCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012525642	1	52	0.0	-82.47	383.94	10.36	-72.11
CC1CCC[N@H+](CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525643	0	57	0.0	-77.03	424.27	10.03	-67.00
CC1CCC[N@@H+](CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525643	1	57	0.0	-77.03	424.28	10.03	-67.00
CC1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012525644	0	51	0.0	-81.13	373.11	8.80	-72.33
CC1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012525644	1	51	0.0	-81.45	379.87	8.78	-72.67
CCCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525645	0	53	0.0	-74.74	401.82	7.95	-66.79
CCCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525645	1	53	0.0	-74.12	400.98	7.96	-66.16
CC(C)[C@@H](NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525646	0	53	0.0	-74.79	390.61	7.77	-67.02
CC(C)[C@@H](NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525646	1	53	0.0	-74.13	395.43	7.79	-66.34
CC1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012525647	0	55	0.0	-86.70	393.87	10.67	-76.03
CC1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012525647	1	55	0.0	-87.35	400.73	10.64	-76.71
CCN(C(=O)NCCCC[N@@H+]1CCCC(C)C1)C(C)(C)C(=O)[O-]	REAL300012525648	0	56	0.0	-77.96	405.00	9.94	-68.02
CCN(C(=O)NCCCC[N@H+]1CCCC(C)C1)C(C)(C)C(=O)[O-]	REAL300012525648	1	56	0.0	-78.00	404.99	9.94	-68.06
CCCN(C(=O)NCCCC[N@@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012525649	0	56	0.0	-71.14	409.99	9.83	-61.31
CCCN(C(=O)NCCCC[N@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012525649	1	56	0.0	-71.16	409.97	9.83	-61.33
CC1CCC[N@H+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012525650	0	50	0.0	-69.96	392.86	9.50	-60.46
CC1CCC[N@@H+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012525650	1	50	0.0	-69.60	386.13	9.52	-60.08
CC1CCC[N@H+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012525651	0	50	0.0	-69.96	392.86	9.50	-60.46
CC1CCC[N@@H+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012525651	1	50	0.0	-69.60	386.13	9.52	-60.08
CC1CCC[N@H+](CCCCNC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012525652	0	53	0.0	-78.06	385.54	9.06	-69.00
CC1CCC[N@@H+](CCCCNC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012525652	1	53	0.0	-78.03	385.55	9.07	-68.96
CC1CCC[N@H+](CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012525653	0	51	0.0	-80.54	372.35	9.11	-71.43
CC1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012525653	1	51	0.0	-81.00	379.06	9.10	-71.90
CC1CCC[N@H+](CCCCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012525654	0	63	0.0	-62.56	466.58	7.48	-55.08
CC1CCC[N@@H+](CCCCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012525654	1	63	0.0	-62.39	454.63	7.25	-55.14
CC1CCC[N@H+](CCCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012525655	0	52	0.0	-83.09	391.09	5.40	-77.69
CC1CCC[N@@H+](CCCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012525655	1	52	0.0	-83.12	391.14	5.38	-77.74
CC1CCC[N@H+](CCCCNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])C1	REAL300012525656	1	67	0.0	-62.36	491.77	7.35	-55.01
CC1CCC[N@@H+](CCCCNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])C1	REAL300012525656	1	67	0.0	-62.01	479.80	7.13	-54.88
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525657	0	58	0.0	-61.87	434.22	11.90	-49.97
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525657	1	58	0.0	-61.82	434.24	11.90	-49.92
CC1CCC[N@H+](CCCCNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C1	REAL300012525658	0	61	0.0	-65.99	436.30	12.25	-53.74
CC1CCC[N@@H+](CCCCNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C1	REAL300012525658	1	61	0.0	-64.73	443.39	12.21	-52.52
CCC[C@@H](NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525659	0	53	0.0	-73.84	394.83	8.02	-65.82
CCC[C@@H](NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525659	1	53	0.0	-74.75	401.81	7.95	-66.80
CC1CCC[N@H+](CCCCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012525660	0	59	0.0	-74.02	435.98	10.36	-63.66
CC1CCC[N@@H+](CCCCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012525660	1	59	0.0	-74.05	435.99	10.36	-63.69
CC1CCC[N@H+](CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525661	0	54	0.0	-76.57	416.49	9.26	-67.31
CC1CCC[N@@H+](CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525661	1	54	0.0	-76.23	416.26	9.33	-66.90
CC1CCC[N@H+](CCCCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012525662	0	59	0.0	-76.08	456.36	9.26	-66.82
CC1CCC[N@@H+](CCCCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012525662	1	59	0.0	-76.19	456.37	9.26	-66.93
C=CCCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525663	0	54	0.0	-74.41	414.62	8.50	-65.91
C=CCCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525663	1	54	0.0	-74.40	414.63	8.51	-65.89
CC1CCC[N@H+](CCCCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012525664	0	53	0.0	-73.06	425.51	7.18	-65.88
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012525664	1	53	0.0	-77.01	418.29	7.27	-69.74
CC1CCC[N@H+](CCCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012525665	0	54	0.0	-70.59	443.95	9.01	-61.58
CC1CCC[N@@H+](CCCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012525665	1	54	0.0	-70.78	438.04	9.02	-61.76
CC1CCC[N@H+](CCCCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012525666	0	54	0.0	-89.11	402.72	6.63	-82.48
CC1CCC[N@@H+](CCCCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012525666	1	54	0.0	-89.28	402.85	6.66	-82.62
CC1CCC[N@H+](CCCCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012525667	0	55	0.0	-75.35	400.08	8.35	-67.00
CC1CCC[N@@H+](CCCCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012525667	1	55	0.0	-75.34	400.16	8.39	-66.95
CC1CCC[N@H+](CCCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012525668	0	54	0.0	-80.51	389.42	9.66	-70.85
CC1CCC[N@@H+](CCCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012525668	1	54	0.0	-80.86	396.20	9.64	-71.22
CC(C)[C@H](NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525669	0	53	0.0	-75.20	393.01	7.50	-67.70
CC(C)[C@H](NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525669	1	53	0.0	-73.51	394.49	7.72	-65.79
CC1CCC[N@H+](CCCCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525670	0	54	0.0	-76.62	416.44	9.25	-67.37
CC1CCC[N@@H+](CCCCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012525670	1	54	0.0	-76.26	409.71	9.26	-67.00
CC1CCC[N@H+](CCCCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012525671	0	57	0.0	-78.10	425.86	8.59	-69.51
CC1CCC[N@@H+](CCCCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012525671	1	57	0.0	-77.63	419.12	8.60	-69.03
CCC[C@H](NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525672	0	53	0.0	-73.84	394.24	7.97	-65.87
CCC[C@H](NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525672	1	53	0.0	-73.86	394.84	8.02	-65.84
CCN(C(=O)NCCCC[N@@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012525673	0	53	0.0	-70.75	387.52	8.91	-61.84
CCN(C(=O)NCCCC[N@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012525673	1	53	0.0	-70.76	387.51	8.91	-61.85
CC1CCC[N@H+](CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012525674	0	57	0.0	-61.20	414.58	10.56	-50.64
CC1CCC[N@@H+](CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012525674	1	57	0.0	-61.12	414.59	10.56	-50.56
CC(CN(C)C(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525675	0	53	0.0	-74.35	391.55	8.67	-65.68
CC(CN(C)C(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525675	1	53	0.0	-74.42	391.54	8.67	-65.75
CC[C@H](C)[C@H](NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525676	0	56	0.0	-74.66	409.90	8.12	-66.54
CC[C@H](C)[C@H](NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525676	1	56	0.0	-74.65	409.89	8.12	-66.53
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525677	0	53	0.0	-71.68	390.74	9.17	-62.51
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525677	1	53	0.0	-71.31	390.69	9.32	-61.99
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012525678	0	55	0.0	-84.46	411.99	5.07	-79.39
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012525678	1	55	0.0	-79.48	406.82	5.19	-74.29
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525679	0	63	0.0	-77.15	457.58	8.47	-68.68
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525679	1	63	0.0	-76.11	460.76	8.35	-67.76
CC1CCC(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012525680	0	57	0.0	-78.44	409.75	8.89	-69.55
CC1CCC(NC(=O)NCCCC[N@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012525680	1	57	0.0	-78.56	416.50	8.83	-69.73
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012525681	0	60	0.0	-79.12	425.88	9.62	-69.50
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012525681	1	60	0.0	-78.88	419.16	9.64	-69.24
COCCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525682	0	54	0.0	-74.34	407.25	6.25	-68.09
COCCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525682	1	54	0.0	-74.24	413.15	6.26	-67.98
CC1CCC[N@H+](CCCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525683	0	60	0.0	-73.60	447.31	12.11	-61.49
CC1CCC[N@@H+](CCCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525683	1	60	0.0	-74.15	449.25	12.31	-61.84
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012525684	0	57	0.0	-79.90	410.78	9.61	-70.29
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012525684	1	57	0.0	-79.79	410.80	9.61	-70.18
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012525685	0	54	0.0	-76.53	401.76	8.52	-68.01
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012525685	1	54	0.0	-76.82	397.19	8.56	-68.26
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525686	0	63	0.0	-77.27	464.36	8.39	-68.88
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525686	1	63	0.0	-77.32	464.35	8.39	-68.93
CC1CCC[N@H+](CCCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012525687	0	52	0.0	-87.01	383.02	5.59	-81.42
CC1CCC[N@@H+](CCCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012525687	1	52	0.0	-87.34	389.76	5.58	-81.76
CC1CCC[N@H+](CCCCNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012525688	0	62	0.0	-65.84	458.67	12.82	-53.02
CC1CCC[N@@H+](CCCCNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012525688	1	62	0.0	-66.79	451.91	12.71	-54.08
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012525689	0	55	0.0	-76.23	406.83	6.19	-70.04
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012525689	1	55	0.0	-73.86	412.20	6.44	-67.42
CC1CCC[N@H+](CCCCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012525690	0	55	0.0	-85.31	401.15	10.23	-75.08
CC1CCC[N@@H+](CCCCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012525690	1	55	0.0	-84.80	394.30	10.24	-74.56
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012525691	0	58	0.0	-83.53	448.16	9.39	-74.14
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012525691	1	58	0.0	-82.96	448.00	9.32	-73.64
CC1CCC[N@H+](CCCCNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012525692	0	53	0.0	-81.52	386.50	7.98	-73.54
CC1CCC[N@@H+](CCCCNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012525692	1	53	0.0	-81.53	386.55	8.01	-73.52
CC1CCC(C(=O)[O-])N(C(=O)NCCCC[N@@H+]2CCCC(C)C2)C1	REAL300012525693	0	57	0.0	-85.63	406.69	11.24	-74.39
CC1CCC(C(=O)[O-])N(C(=O)NCCCC[N@H+]2CCCC(C)C2)C1	REAL300012525693	1	57	0.0	-83.10	410.78	10.67	-72.43
CC(C1=CC=CC=C1)C(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525694	0	60	0.0	-75.56	448.74	10.61	-64.95
CC(C1=CC=CC=C1)C(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525694	1	60	0.0	-74.98	453.85	10.54	-64.44
CC1CCC[N@H+](CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012525695	0	61	0.0	-74.90	452.73	10.38	-64.52
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012525695	1	61	0.0	-74.38	445.97	10.39	-63.99
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012525696	0	54	0.0	-74.28	397.65	8.19	-66.09
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012525696	1	54	0.0	-74.82	404.38	8.17	-66.65
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012525697	0	67	0.0	-77.44	473.69	10.01	-67.43
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012525697	1	67	0.0	-77.51	473.70	10.03	-67.48
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012525698	0	60	0.0	-74.44	436.12	9.59	-64.85
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012525698	1	60	0.0	-77.07	434.06	9.39	-67.68
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012525699	0	54	0.0	-74.28	397.65	8.19	-66.09
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012525699	1	54	0.0	-74.82	404.38	8.17	-66.65
CC1CCN(C(=O)NCCCC[N@@H+]2CCCC(C)C2)C1C(=O)[O-]	REAL300012525700	0	54	0.0	-82.49	400.40	9.36	-73.13
CC1CCN(C(=O)NCCCC[N@H+]2CCCC(C)C2)C1C(=O)[O-]	REAL300012525700	1	54	0.0	-81.70	387.71	9.47	-72.23
C=CCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525701	0	51	0.0	-73.72	392.79	7.64	-66.08
C=CCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525701	1	51	0.0	-74.42	393.63	7.63	-66.79
CC1CCC[N@H+](CCCCNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012525702	0	61	0.0	-74.78	452.55	8.91	-65.87
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012525702	1	61	0.0	-77.94	453.70	8.37	-69.57
CC1CCC[N@H+](CCCCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012525703	0	61	0.0	-57.17	419.52	10.92	-46.25
CC1CCC[N@@H+](CCCCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012525703	1	61	0.0	-56.88	419.40	10.92	-45.96
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012525704	0	61	0.0	-78.18	423.61	8.20	-69.98
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012525704	1	61	0.0	-78.23	423.67	8.21	-70.02
CC1=CC=CC2=C1CCN(C(=O)NCCCC[N@H+]1CCCC(C)C1)C2C(=O)[O-]	REAL300012525705	0	61	0.0	-64.07	442.09	12.13	-51.94
CC1=CC=CC2=C1CCN(C(=O)NCCCC[N@@H+]1CCCC(C)C1)C2C(=O)[O-]	REAL300012525705	1	61	0.0	-64.22	442.09	12.13	-52.09
CC1CCC[N@H+](CCCCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012525706	0	55	0.0	-59.34	395.14	10.13	-49.21
CC1CCC[N@@H+](CCCCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012525706	1	55	0.0	-59.20	395.16	10.11	-49.09
CC1CCC[N@H+](CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012525707	0	61	0.0	-74.90	452.73	10.38	-64.52
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012525707	1	61	0.0	-74.38	445.97	10.39	-63.99
CC1CCC[N@H+](CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012525708	0	57	0.0	-77.75	445.15	10.27	-67.48
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012525708	1	57	0.0	-72.31	444.27	10.27	-62.04
COC1CC(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012525709	0	55	0.0	-75.35	406.31	6.78	-68.57
COC1CC(NC(=O)NCCCC[N@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012525709	1	55	0.0	-81.75	414.90	6.86	-74.89
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012525710	0	51	0.0	-77.29	383.13	7.94	-69.35
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012525710	1	51	0.0	-77.62	389.87	7.92	-69.70
CO[C@H]1C[C@](NC(=O)NCCCC[N@@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012525711	0	55	0.0	-77.20	407.02	7.16	-70.04
CO[C@H]1C[C@](NC(=O)NCCCC[N@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012525711	1	55	0.0	-75.26	406.19	6.78	-68.48
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012525712	0	54	0.0	-74.28	421.20	9.02	-65.26
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012525712	1	54	0.0	-73.68	414.47	9.04	-64.64
CCC1(C(=O)[O-])CCCN1C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525713	0	57	0.0	-83.41	412.43	10.91	-72.50
CCC1(C(=O)[O-])CCCN1C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525713	1	57	0.0	-83.41	412.42	10.91	-72.50
CC1CCC[N@H+](CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012525714	0	50	0.0	-69.37	396.24	7.87	-61.50
CC1CCC[N@@H+](CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012525714	1	50	0.0	-68.72	395.42	7.90	-60.82
CC1CCC[N@H+](CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012525715	0	58	0.0	-72.94	430.19	7.85	-65.09
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012525715	1	58	0.0	-73.41	430.44	7.78	-65.63
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012525716	0	49	0.0	-73.00	365.53	4.95	-68.05
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012525716	1	49	0.0	-73.36	372.27	4.93	-68.43
CC1CCC[N@H+](CCCCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012525717	0	54	0.0	-73.86	430.69	9.25	-64.61
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012525717	1	54	0.0	-73.31	423.93	9.27	-64.04
COCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012525718	0	61	0.0	-76.34	457.46	9.25	-67.09
COCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012525718	1	61	0.0	-76.40	457.45	9.25	-67.15
CC(C)C(C)(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525719	0	56	0.0	-75.37	399.38	8.17	-67.20
CC(C)C(C)(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525719	1	56	0.0	-75.79	401.18	8.24	-67.55
CC1CCC[N@H+](CCCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012525720	0	52	0.0	-85.52	386.36	10.27	-75.25
CC1CCC[N@@H+](CCCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012525720	1	52	0.0	-85.41	386.36	10.27	-75.14
CC1CCC[N@H+](CCCCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012525721	0	55	0.0	-82.69	395.66	9.87	-72.82
CC1CCC[N@@H+](CCCCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012525721	1	55	0.0	-82.92	402.41	9.86	-73.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525722	0	60	0.0	-56.36	446.58	12.98	-43.38
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525722	1	60	0.0	-56.74	448.78	13.04	-43.70
CC1CCC[N@H+](CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012525723	0	63	0.0	-75.53	460.68	10.39	-65.14
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012525723	1	63	0.0	-75.51	460.65	10.39	-65.12
CC1CCC[N@H+](CCCCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525724	0	60	0.0	-75.25	460.88	10.99	-64.26
CC1CCC[N@@H+](CCCCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525724	1	60	0.0	-75.44	454.98	10.98	-64.46
CC1CCC[N@H+](CCCCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525725	0	60	0.0	-75.45	461.47	11.03	-64.42
CC1CCC[N@@H+](CCCCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525725	1	60	0.0	-74.96	454.74	11.05	-63.91
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012525726	0	61	0.0	-76.20	440.75	9.88	-66.32
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012525726	1	61	0.0	-76.87	433.34	9.92	-66.95
CC1CCC[N@H+](CCCCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012525727	0	63	0.0	-74.73	453.71	10.47	-64.26
CC1CCC[N@@H+](CCCCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012525727	1	63	0.0	-75.07	460.45	10.46	-64.61
CC1CCC[N@H+](CCCCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012525728	0	63	0.0	-74.79	459.81	10.39	-64.40
CC1CCC[N@@H+](CCCCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012525728	1	63	0.0	-75.17	453.91	10.40	-64.77
CC1CCC[N@H+](CCCCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012525729	0	61	0.0	-58.99	440.84	11.05	-47.94
CC1CCC[N@@H+](CCCCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012525729	1	61	0.0	-58.98	440.85	11.05	-47.93
CC1CCC[N@H+](CCCCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012525730	0	61	0.0	-82.94	429.83	10.87	-72.07
CC1CCC[N@@H+](CCCCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012525730	1	61	0.0	-83.35	431.16	10.78	-72.57
COC1=CC=C(CC(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012525731	0	61	0.0	-76.96	468.01	9.56	-67.40
COC1=CC=C(CC(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012525731	1	61	0.0	-77.38	468.24	9.50	-67.88
C=CCSCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525732	0	55	0.0	-71.83	437.38	9.08	-62.75
C=CCSCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525732	1	55	0.0	-71.83	437.40	9.08	-62.75
CC1CCC[N@H+](CCCCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012525733	0	58	0.0	-75.30	459.56	10.59	-64.71
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012525733	1	58	0.0	-75.28	459.60	10.58	-64.70
CCC(C(=O)[O-])N(CC)C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525734	0	56	0.0	-71.01	397.77	9.90	-61.11
CCC(C(=O)[O-])N(CC)C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525734	1	56	0.0	-72.55	405.35	10.05	-62.50
COC1(C(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012525735	0	58	0.0	-71.70	420.23	6.88	-64.82
COC1(C(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012525735	1	58	0.0	-78.64	427.70	8.11	-70.53
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012525736	0	60	0.0	-76.46	428.67	9.50	-66.96
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012525736	1	60	0.0	-76.69	435.43	9.48	-67.21
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012525737	0	61	0.0	-79.51	447.77	11.32	-68.19
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012525737	1	61	0.0	-79.02	441.04	11.34	-67.68
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012525738	0	54	0.0	-82.69	413.17	8.74	-73.95
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012525738	1	54	0.0	-80.79	413.69	8.69	-72.10
CC(C)C1=CC=C(C(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012525740	0	63	0.0	-75.34	469.74	11.28	-64.06
CC(C)C1=CC=C(C(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012525740	1	63	0.0	-76.19	476.67	11.18	-65.01
CC1CCC[N@H+](CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012525741	0	51	0.0	-78.82	386.30	8.88	-69.94
CC1CCC[N@@H+](CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012525741	1	51	0.0	-78.49	385.57	9.18	-69.31
CC1CCC[N@H+](CCCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012525742	0	53	0.0	-59.36	394.81	9.89	-49.47
CC1CCC[N@@H+](CCCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012525742	1	53	0.0	-58.45	387.73	9.97	-48.48
CC1CCC[N@H+](CCCCNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012525743	0	57	0.0	-83.03	413.28	9.87	-73.16
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012525743	1	57	0.0	-82.60	408.85	9.76	-72.84
CCOC1=CC=C(C(NC(=O)NCCCC[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012525744	0	61	0.0	-75.92	467.80	9.47	-66.45
CCOC1=CC=C(C(NC(=O)NCCCC[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012525744	1	61	0.0	-75.45	467.19	9.50	-65.95
CC1CCC[N@H+](CCCCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012525745	0	61	0.0	-83.67	433.99	11.72	-71.95
CC1CCC[N@@H+](CCCCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012525745	1	61	0.0	-83.71	427.38	11.79	-71.92
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012525746	0	61	0.0	-80.78	449.39	11.46	-69.32
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012525746	1	61	0.0	-79.05	457.41	11.31	-67.74
CC1CCC[N@H+](CCCCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525747	0	61	0.0	-80.89	458.90	10.30	-70.59
CC1CCC[N@@H+](CCCCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525747	1	61	0.0	-80.88	458.92	10.29	-70.59
CC1CCC[N@H+](CCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012525748	0	57	0.0	-78.12	451.87	10.19	-67.93
CC1CCC[N@@H+](CCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012525748	1	57	0.0	-78.49	445.97	10.20	-68.29
CC(C)CCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525749	0	59	0.0	-74.24	440.05	9.26	-64.98
CC(C)CCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525749	1	59	0.0	-74.84	440.87	9.24	-65.60
CC1CCC[N@H+](CCCCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012525750	0	58	0.0	-58.76	419.28	10.58	-48.18
CC1CCC[N@@H+](CCCCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012525750	1	58	0.0	-59.23	426.02	10.56	-48.67
CC1CCC[N@H+](CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012525751	0	58	0.0	-72.94	430.19	7.85	-65.09
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012525751	1	58	0.0	-73.41	430.44	7.78	-65.63
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[N@@H+]2CCCC(C)C2)C1	REAL300012525752	0	55	0.0	-79.05	422.17	10.26	-68.79
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[N@H+]2CCCC(C)C2)C1	REAL300012525752	1	55	0.0	-78.94	422.26	10.26	-68.68
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012525753	0	58	0.0	-80.78	415.65	10.04	-70.74
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012525753	1	58	0.0	-80.46	408.93	10.06	-70.40
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012525754	0	55	0.0	-80.51	402.69	9.15	-71.36
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012525754	1	55	0.0	-79.01	404.10	8.92	-70.09
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012525755	0	58	0.0	-78.82	423.81	9.52	-69.30
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012525755	1	58	0.0	-78.76	423.82	9.52	-69.24
CC1CCC[N@H+](CCCCNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525756	0	60	0.0	-74.16	442.53	12.17	-61.99
CC1CCC[N@@H+](CCCCNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012525756	1	60	0.0	-73.11	441.08	12.24	-60.87
CC1CCC[N@H+](CCCCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012525757	0	64	0.0	-59.61	455.90	11.49	-48.12
CC1CCC[N@@H+](CCCCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012525757	1	64	0.0	-58.31	448.24	11.58	-46.73
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012525758	0	57	0.0	-76.19	421.64	8.84	-67.35
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012525758	1	57	0.0	-76.21	416.59	8.70	-67.51
CO[C@H](C)[C@H](NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525759	0	54	0.0	-75.81	403.58	6.44	-69.37
CO[C@H](C)[C@H](NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525759	1	54	0.0	-75.63	409.83	6.42	-69.21
CC1[C@@H](C)[C@@]1(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525760	0	54	0.0	-80.29	399.47	8.73	-71.56
CC1[C@@H](C)[C@@]1(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525760	1	54	0.0	-81.38	396.60	8.94	-72.44
CC1CCC[N@H+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012525761	0	57	0.0	-62.13	437.24	11.99	-50.14
CC1CCC[N@@H+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012525761	1	57	0.0	-62.18	437.25	11.99	-50.19
CC1CCC[N@H+](CCCCNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012525762	0	57	0.0	-58.80	412.14	9.89	-48.91
CC1CCC[N@@H+](CCCCNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012525762	1	57	0.0	-59.17	412.97	9.85	-49.32
CC1CCC[N@H+](CCCCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012525763	0	54	0.0	-80.75	394.46	10.19	-70.56
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012525763	1	54	0.0	-81.17	401.21	10.16	-71.01
CC1CCC[N@H+](CCCCNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012525764	0	51	0.0	-80.75	388.93	9.29	-71.46
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012525764	1	51	0.0	-80.81	388.95	9.29	-71.52
CC1CCC[N@H+](CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012525765	0	57	0.0	-77.75	445.15	10.27	-67.48
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012525765	1	57	0.0	-72.31	444.27	10.27	-62.04
CC1CCC[N@H+](CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012525766	0	54	0.0	-75.40	429.56	9.10	-66.30
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012525766	1	54	0.0	-74.55	429.42	9.18	-65.37
CC1CCC[N@H+](CCCCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012525767	0	54	0.0	-73.78	408.17	9.78	-64.00
CC1CCC[N@@H+](CCCCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012525767	1	54	0.0	-78.66	401.93	9.89	-68.77
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012525768	0	58	0.0	-79.46	443.25	9.94	-69.52
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012525768	1	58	0.0	-78.94	436.52	9.96	-68.98
CC1CCC[N@H+](CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012525769	0	54	0.0	-75.40	429.56	9.10	-66.30
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012525769	1	54	0.0	-74.55	429.42	9.18	-65.37
CC1CCC[N@H+](CCCCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012525770	0	58	0.0	-83.85	416.73	10.24	-73.61
CC1CCC[N@@H+](CCCCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012525770	1	58	0.0	-83.90	417.51	10.46	-73.44
COCCCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525771	0	57	0.0	-73.40	428.50	7.09	-66.31
COCCCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525771	1	57	0.0	-74.33	435.48	7.01	-67.32
CCCC(C(=O)[O-])N(C)C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300012525772	0	56	0.0	-71.07	405.45	10.11	-60.96
CCCC(C(=O)[O-])N(C)C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300012525772	1	56	0.0	-71.47	412.19	10.10	-61.37
CCOCC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525773	0	54	0.0	-76.28	413.55	6.38	-69.90
CCOCC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012525773	1	54	0.0	-76.29	413.54	6.38	-69.91
CC1CCC[N@H+](CCCCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012525774	0	59	0.0	-75.34	431.16	9.56	-65.78
CC1CCC[N@@H+](CCCCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012525774	1	59	0.0	-75.01	430.91	9.63	-65.38
CC1CCC[N@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012525775	0	58	0.0	-78.37	430.80	7.33	-71.04
CC1CCC[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012525775	1	58	0.0	-77.85	431.56	7.74	-70.11
CC1CCC[N@H+](CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012525776	0	58	0.0	-79.04	435.80	10.57	-68.47
CC1CCC[N@@H+](CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012525776	1	58	0.0	-78.49	429.07	10.59	-67.90
CC1CCC[N@H+](CCCCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012525777	0	55	0.0	-82.69	395.05	8.68	-74.01
CC1CCC[N@@H+](CCCCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012525777	1	55	0.0	-83.09	401.75	8.65	-74.44
CC1CCC[N@H+](CCCCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012525778	0	57	0.0	-75.43	414.63	10.04	-65.39
CC1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012525778	1	57	0.0	-73.65	422.07	10.08	-63.57
CC1CCC[N@H+](CCCCNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012525779	0	51	0.0	-75.58	401.17	7.68	-67.90
CC1CCC[N@@H+](CCCCNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012525779	1	51	0.0	-75.12	394.42	7.69	-67.43
CC1CCC[N@H+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012525780	0	54	0.0	-63.12	418.90	10.13	-52.99
CC1CCC[N@@H+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012525780	1	54	0.0	-63.06	418.92	10.13	-52.93
CC1CCC[N@H+](CCCCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012525781	0	65	0.0	-84.12	452.96	10.91	-73.21
CC1CCC[N@@H+](CCCCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012525781	1	65	0.0	-82.59	452.36	10.57	-72.02
CC1CCC[N@H+](CCCCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012525782	0	56	0.0	-71.57	450.30	8.88	-62.69
CC1CCC[N@@H+](CCCCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012525782	1	56	0.0	-75.78	450.57	8.85	-66.93
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[N@@H+]2CCCC(C)C2)C1	REAL300012525783	0	58	0.0	-81.50	434.21	9.05	-72.45
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[N@H+]2CCCC(C)C2)C1	REAL300012525783	1	58	0.0	-77.28	426.65	9.15	-68.13
CCN1CC[NH+](CCCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012525784	0	58	0.0	-76.10	432.73	6.15	-69.95
CC[NH+]1CCN(CCCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012525784	1	58	0.0	-76.14	432.26	6.11	-70.03
C=CCOCC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525785	0	57	0.0	-76.88	440.20	4.59	-72.29
C=CCOCC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525785	1	57	0.0	-77.16	439.70	4.56	-72.60
C=CC(C)C(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525786	0	56	0.0	-76.77	419.64	5.69	-71.08
C=CC(C)C(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525786	1	56	0.0	-75.42	418.37	5.70	-69.72
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012525787	0	60	0.0	-79.45	438.57	4.60	-74.85
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012525787	1	60	0.0	-78.35	438.07	4.57	-73.78
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012525788	0	56	0.0	-71.68	442.96	7.00	-64.68
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012525788	1	56	0.0	-71.64	442.41	6.98	-64.66
CCN1CC[NH+](CCCCNC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300012525789	0	60	0.0	-85.73	436.14	6.78	-78.95
CC[NH+]1CCN(CCCCNC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300012525789	1	60	0.0	-85.97	433.75	6.81	-79.16
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012525790	0	60	0.0	-74.29	437.94	4.71	-69.58
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012525790	1	60	0.0	-74.14	438.04	4.60	-69.54
CCN1CC[NH+](CCCCNC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012525791	0	59	0.0	-85.10	424.68	8.34	-76.76
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012525791	1	59	0.0	-85.06	417.47	8.06	-77.00
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300012525792	0	59	0.0	-73.90	456.72	7.67	-66.23
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300012525792	1	59	0.0	-73.75	456.22	7.64	-66.11
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012525793	0	62	0.0	-78.38	473.08	8.22	-70.16
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012525793	1	62	0.0	-78.45	472.29	8.26	-70.19
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300012525794	0	62	0.0	-78.09	468.41	8.17	-69.92
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300012525794	1	62	0.0	-78.82	468.13	8.06	-70.76
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300012525795	0	62	0.0	-79.64	464.38	7.90	-71.74
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300012525795	1	62	0.0	-77.99	459.74	7.88	-70.11
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC)CC1	REAL300012525796	0	55	0.0	-62.91	413.50	7.39	-55.52
CCCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC)CC1	REAL300012525796	1	55	0.0	-65.31	413.00	7.35	-57.96
CCN1CC[NH+](CCCCNC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012525797	0	59	0.0	-56.59	421.30	8.62	-47.97
CC[NH+]1CCN(CCCCNC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012525797	1	59	0.0	-64.16	425.10	7.60	-56.56
CCCN(C(=O)NCCCC[NH+]1CCN(CC)CC1)C(COC)C(=O)[O-]	REAL300012525798	0	62	0.0	-79.20	455.48	8.37	-70.83
CCCN(C(=O)NCCCCN1CC[NH+](CC)CC1)C(COC)C(=O)[O-]	REAL300012525798	1	62	0.0	-79.20	454.98	8.33	-70.87
CCCN(C(=O)NCCCC[NH+]1CCN(CC)CC1)C(CC)C(=O)[O-]	REAL300012525799	0	61	0.0	-58.77	438.26	9.03	-49.74
CCCN(C(=O)NCCCCN1CC[NH+](CC)CC1)C(CC)C(=O)[O-]	REAL300012525799	1	61	0.0	-77.02	441.78	8.98	-68.04
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012525800	0	55	0.0	-74.97	405.20	5.12	-69.85
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012525800	1	55	0.0	-75.34	405.68	5.11	-70.23
CCN1CC[NH+](CCCCNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012525801	0	56	0.0	-85.77	404.38	7.96	-77.81
CC[NH+]1CCN(CCCCNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012525801	1	56	0.0	-85.94	403.66	7.97	-77.97
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012525802	0	56	0.0	-73.74	446.94	7.41	-66.33
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012525802	1	56	0.0	-73.77	446.44	7.38	-66.39
CCN1CC[NH+](CCCCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012525803	0	54	0.0	-82.86	403.99	7.85	-75.01
CC[NH+]1CCN(CCCCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012525803	1	54	0.0	-82.02	403.49	7.82	-74.20
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012525804	0	59	0.0	-79.61	423.59	7.03	-72.58
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012525804	1	59	0.0	-79.59	422.43	6.89	-72.70
CCN1CC[NH+](CCCCNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012525805	0	53	0.0	-81.90	392.83	6.72	-75.18
CC[NH+]1CCN(CCCCNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012525805	1	53	0.0	-82.06	392.33	6.69	-75.37
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012525806	0	56	0.0	-80.00	408.50	5.89	-74.11
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012525806	1	56	0.0	-80.73	408.00	5.86	-74.87
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012525807	0	62	0.0	-80.26	429.25	7.70	-72.56
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012525807	1	62	0.0	-80.12	428.09	7.56	-72.56
CCN1CC[NH+](CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525808	0	59	0.0	-76.90	452.26	7.89	-69.01
CC[NH+]1CCN(CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525808	1	59	0.0	-76.61	451.10	7.75	-68.86
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012525809	0	59	0.0	-63.20	451.00	9.63	-53.57
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012525809	1	59	0.0	-65.94	450.50	9.60	-56.34
CCN1CC[NH+](CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525810	0	56	0.0	-77.03	429.51	6.93	-70.10
CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525810	1	56	0.0	-76.99	428.85	6.83	-70.16
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525811	0	56	0.0	-77.02	429.99	6.97	-70.05
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525811	1	56	0.0	-77.83	429.70	6.86	-70.97
CCC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525812	0	52	0.0	-75.73	394.07	4.82	-70.91
CCC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525812	1	52	0.0	-75.68	393.57	4.79	-70.89
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012525813	0	55	0.0	-74.97	405.20	5.12	-69.85
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012525813	1	55	0.0	-75.34	405.68	5.11	-70.23
CCN1CC[NH+](CCCCNC(=O)N(C)CC(=O)[O-])CC1	REAL300012525814	0	49	0.0	-74.85	370.19	5.64	-69.21
CC[NH+]1CCN(CCCCNC(=O)N(C)CC(=O)[O-])CC1	REAL300012525814	1	49	0.0	-74.08	369.69	5.61	-68.47
CCN1CC[NH+](CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525815	0	59	0.0	-76.90	452.26	7.89	-69.01
CC[NH+]1CCN(CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525815	1	59	0.0	-76.61	451.10	7.75	-68.86
CCN1CC[NH+](CCCCNC(=O)NC(C)C(=O)[O-])CC1	REAL300012525816	0	49	0.0	-66.19	372.08	3.82	-62.37
CC[NH+]1CCN(CCCCNC(=O)NC(C)C(=O)[O-])CC1	REAL300012525816	1	49	0.0	-65.42	371.58	3.79	-61.63
CCC(C)C(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525817	0	58	0.0	-75.63	423.66	5.75	-69.88
CCC(C)C(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525817	1	58	0.0	-76.13	428.55	5.99	-70.14
CCN1CC[NH+](CCCCNC(=O)N(C)CC(=O)[O-])CC1	REAL300012525818	0	49	0.0	-74.85	370.19	5.64	-69.21
CC[NH+]1CCN(CCCCNC(=O)N(C)CC(=O)[O-])CC1	REAL300012525818	1	49	0.0	-74.08	369.69	5.61	-68.47
CCN1CC[NH+](CCCCNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012525819	0	56	0.0	-85.77	404.38	7.96	-77.81
CC[NH+]1CCN(CCCCNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012525819	1	56	0.0	-85.94	403.66	7.97	-77.97
CCCC(C)(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525820	0	58	0.0	-75.97	419.71	5.95	-70.02
CCCC(C)(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525820	1	58	0.0	-76.68	419.21	5.92	-70.76
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012525821	0	55	0.0	-63.85	402.13	6.91	-56.94
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012525821	1	55	0.0	-65.96	401.63	6.88	-59.08
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012525822	0	53	0.0	-63.81	395.27	7.15	-56.66
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012525822	1	53	0.0	-62.25	395.05	7.16	-55.09
C=CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC)CC1	REAL300012525823	0	53	0.0	-62.75	404.82	7.19	-55.56
C=CCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC)CC1	REAL300012525823	1	53	0.0	-65.15	404.31	7.15	-58.00
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012525824	0	58	0.0	-62.33	427.91	7.69	-54.64
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012525824	1	58	0.0	-65.37	427.66	7.87	-57.50
CCN1CC[NH+](CCCCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012525825	0	60	0.0	-85.44	441.78	9.87	-75.57
CC[NH+]1CCN(CCCCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012525825	1	60	0.0	-84.41	440.61	9.74	-74.67
CCN1CC[NH+](CCCCNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012525826	0	52	0.0	-64.66	384.82	4.19	-60.47
CC[NH+]1CCN(CCCCNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012525826	1	52	0.0	-63.75	384.32	4.16	-59.59
CCN1CC[NH+](CCCCNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012525827	0	56	0.0	-77.38	407.21	5.90	-71.48
CC[NH+]1CCN(CCCCNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012525827	1	56	0.0	-77.59	406.55	5.80	-71.79
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012525828	0	53	0.0	-75.53	421.84	5.97	-69.56
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012525828	1	53	0.0	-74.79	421.13	6.02	-68.77
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012525829	0	59	0.0	-79.61	423.59	7.03	-72.58
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012525829	1	59	0.0	-79.59	422.43	6.89	-72.70
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012525830	0	55	0.0	-63.85	402.13	6.91	-56.94
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012525830	1	55	0.0	-65.96	401.63	6.88	-59.08
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC)CC1	REAL300012525831	0	55	0.0	-62.91	413.50	7.39	-55.52
CCCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC)CC1	REAL300012525831	1	55	0.0	-65.31	413.00	7.35	-57.96
CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC)CC1	REAL300012525832	0	52	0.0	-75.08	392.00	6.63	-68.45
CCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC)CC1	REAL300012525832	1	52	0.0	-74.17	391.50	6.59	-67.58
CC[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525833	0	58	0.0	-75.93	424.59	5.82	-70.11
CC[C@H](C)[C@H](NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525833	1	58	0.0	-76.72	424.82	5.74	-70.98
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012525834	0	56	0.0	-80.00	408.50	5.89	-74.11
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012525834	1	56	0.0	-80.73	408.00	5.86	-74.87
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012525835	0	59	0.0	-61.03	457.41	9.69	-51.34
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012525835	1	59	0.0	-63.26	456.91	9.67	-53.59
CCN1CC[NH+](CCCCNC(=O)NC(C)(CC)C(=O)[O-])CC1	REAL300012525836	0	55	0.0	-75.67	398.21	5.19	-70.48
CC[NH+]1CCN(CCCCNC(=O)NC(C)(CC)C(=O)[O-])CC1	REAL300012525836	1	55	0.0	-76.28	397.71	5.16	-71.12
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012525837	0	60	0.0	-79.09	448.19	8.07	-71.02
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012525837	1	60	0.0	-79.04	447.69	8.04	-71.00
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012525838	0	56	0.0	-77.48	441.08	7.05	-70.43
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012525838	1	56	0.0	-76.20	440.34	7.07	-69.13
CCN1CC[NH+](CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525839	0	59	0.0	-77.98	438.03	7.66	-70.32
CC[NH+]1CCN(CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525839	1	59	0.0	-78.70	437.53	7.63	-71.07
CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300012525840	0	49	0.0	-66.18	372.08	3.82	-62.36
CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300012525840	1	49	0.0	-64.94	371.08	3.66	-61.28
CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC)CC1	REAL300012525841	0	52	0.0	-75.08	392.00	6.63	-68.45
CCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC)CC1	REAL300012525841	1	52	0.0	-74.17	391.50	6.59	-67.58
CCCCCCC(C)(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525842	0	67	0.0	-76.07	484.21	8.28	-67.79
CCCCCCC(C)(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525842	1	67	0.0	-76.88	483.70	8.25	-68.63
CCN1CC[NH+](CCCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525843	0	62	0.0	-74.47	461.58	9.86	-64.61
CC[NH+]1CCN(CCCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525843	1	62	0.0	-73.48	459.91	9.61	-63.87
CCN1CC[NH+](CCCCNC(=O)N[C@H](C)C(=O)[O-])CC1	REAL300012525844	0	49	0.0	-66.72	372.56	3.76	-62.96
CC[NH+]1CCN(CCCCNC(=O)N[C@H](C)C(=O)[O-])CC1	REAL300012525844	1	49	0.0	-65.63	372.06	3.73	-61.90
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012525845	0	50	0.0	-81.25	378.41	5.01	-76.24
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012525845	1	50	0.0	-81.54	377.90	4.98	-76.56
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012525846	0	56	0.0	-73.74	446.94	7.41	-66.33
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012525846	1	56	0.0	-73.77	446.44	7.38	-66.39
CCN1CC[NH+](CCCCNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012525847	0	54	0.0	-82.33	395.33	5.33	-77.00
CC[NH+]1CCN(CCCCNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012525847	1	54	0.0	-81.22	394.17	5.20	-76.02
CCN1CC[NH+](CCCCNC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012525848	0	62	0.0	-81.08	432.85	8.34	-72.74
CC[NH+]1CCN(CCCCNC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012525848	1	62	0.0	-81.47	432.35	8.31	-73.16
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012525849	0	53	0.0	-77.03	399.95	5.27	-71.76
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012525849	1	53	0.0	-74.96	402.67	5.21	-69.75
CCN1CC[NH+](CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012525850	0	62	0.0	-63.97	473.41	10.42	-53.55
CC[NH+]1CCN(CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012525850	1	62	0.0	-64.87	472.25	10.27	-54.60
CCN1CC[NH+](CCCCNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525851	0	59	0.0	-76.76	440.04	9.22	-67.54
CC[NH+]1CCN(CCCCNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525851	1	59	0.0	-77.31	439.48	9.11	-68.20
CCN1CC[NH+](CCCCNC(=O)N(CCOC)CC(=O)[O-])CC1	REAL300012525852	0	56	0.0	-63.64	423.38	5.81	-57.83
CC[NH+]1CCN(CCCCNC(=O)N(CCOC)CC(=O)[O-])CC1	REAL300012525852	1	56	0.0	-66.05	422.88	5.78	-60.27
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012525853	0	60	0.0	-82.54	445.26	8.01	-74.53
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012525853	1	60	0.0	-84.06	444.76	7.98	-76.08
CCN1CC[NH+](CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012525854	0	53	0.0	-82.23	392.43	6.29	-75.94
CC[NH+]1CCN(CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012525854	1	53	0.0	-81.63	393.10	6.38	-75.25
CCN1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012525855	0	56	0.0	-84.55	403.70	7.74	-76.81
CC[NH+]1CCN(CCCCNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012525855	1	56	0.0	-84.25	403.70	7.74	-76.51
CCN1CC[NH+](CCCCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012525856	0	52	0.0	-71.92	384.04	5.82	-66.10
CC[NH+]1CCN(CCCCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012525856	1	52	0.0	-70.78	383.55	5.69	-65.09
CCN1CC[NH+](CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012525857	0	53	0.0	-81.97	392.82	6.73	-75.24
CC[NH+]1CCN(CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012525857	1	53	0.0	-82.06	392.32	6.70	-75.36
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012525858	0	53	0.0	-80.47	395.32	5.51	-74.96
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012525858	1	53	0.0	-81.02	394.82	5.48	-75.54
C=CCC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525859	0	53	0.0	-74.63	406.56	5.27	-69.36
C=CCC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525859	1	53	0.0	-75.30	406.89	5.24	-70.06
CCN1CC[NH+](CCCCNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012525860	0	56	0.0	-81.86	409.97	7.27	-74.59
CC[NH+]1CCN(CCCCNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012525860	1	56	0.0	-82.15	409.41	7.25	-74.90
CCN1CC[NH+](CCCCNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012525861	0	59	0.0	-83.51	417.17	8.29	-75.22
CC[NH+]1CCN(CCCCNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012525861	1	59	0.0	-84.14	416.54	8.23	-75.91
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012525862	0	53	0.0	-77.03	399.95	5.27	-71.76
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012525862	1	53	0.0	-74.96	402.67	5.21	-69.75
CCN1CC[NH+](CCCCNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012525863	0	52	0.0	-71.81	384.17	5.88	-65.93
CC[NH+]1CCN(CCCCNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012525863	1	52	0.0	-70.19	384.60	5.85	-64.34
CCCCC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525864	0	58	0.0	-75.04	436.24	6.37	-68.67
CCCCC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525864	1	58	0.0	-75.56	436.57	6.34	-69.22
CCN1CC[NH+](CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012525865	0	62	0.0	-63.97	473.41	10.42	-53.55
CC[NH+]1CCN(CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012525865	1	62	0.0	-64.87	472.25	10.27	-54.60
CCN1CC[NH+](CCCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012525866	0	56	0.0	-81.74	409.98	7.26	-74.48
CC[NH+]1CCN(CCCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012525866	1	56	0.0	-82.11	409.48	7.23	-74.88
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012525867	0	59	0.0	-62.23	428.35	8.20	-54.03
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012525867	1	59	0.0	-63.90	427.85	8.17	-55.73
CCN1CC[NH+](CCCCNC(=O)NC(COC)C(=O)[O-])CC1	REAL300012525868	0	53	0.0	-77.22	405.93	3.06	-74.16
CC[NH+]1CCN(CCCCNC(=O)NC(COC)C(=O)[O-])CC1	REAL300012525868	1	53	0.0	-77.11	404.94	3.01	-74.10
CCCCCC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525869	0	61	0.0	-74.90	457.74	7.15	-67.75
CCCCCC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525869	1	61	0.0	-75.50	458.07	7.12	-68.38
CCC1CCC(NC(=O)NCCCC[NH+]2CCN(CC)CC2)(C(=O)[O-])CC1	REAL300012525870	0	65	0.0	-79.53	462.67	8.28	-71.25
CCC1CCC(NC(=O)NCCCCN2CC[NH+](CC)CC2)(C(=O)[O-])CC1	REAL300012525870	1	65	0.0	-79.46	461.49	8.14	-71.32
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012525871	0	60	0.0	-62.72	436.78	6.53	-56.19
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012525871	1	60	0.0	-65.35	436.28	6.50	-58.85
CCN1CC[NH+](CCCCNC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012525872	0	59	0.0	-82.24	419.52	7.63	-74.61
CC[NH+]1CCN(CCCCNC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012525872	1	59	0.0	-80.86	418.36	7.50	-73.36
CCN1CC[NH+](CCCCNC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012525873	0	56	0.0	-65.00	410.41	7.33	-57.67
CC[NH+]1CCN(CCCCNC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012525873	1	56	0.0	-64.17	409.29	7.09	-57.08
CCC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CCN(CC)CC1)C1CC1	REAL300012525874	0	59	0.0	-75.00	425.85	8.26	-66.74
CCC(C(=O)[O-])N(C(=O)NCCCCN1CC[NH+](CC)CC1)C1CC1	REAL300012525874	1	59	0.0	-74.41	425.35	8.23	-66.18
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012525875	0	56	0.0	-78.51	440.99	7.36	-71.15
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012525875	1	56	0.0	-77.81	441.28	7.35	-70.46
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012525876	0	56	0.0	-82.32	434.40	7.04	-75.28
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012525876	1	56	0.0	-81.33	433.94	7.00	-74.33
CCN1CC[NH+](CCCCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012525877	0	60	0.0	-65.65	445.16	9.32	-56.33
CC[NH+]1CCN(CCCCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012525877	1	60	0.0	-67.93	443.99	9.19	-58.74
CCN1CC[NH+](CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012525878	0	65	0.0	-75.88	474.20	8.09	-67.79
CC[NH+]1CCN(CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012525878	1	65	0.0	-75.21	473.66	8.05	-67.16
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012525879	0	62	0.0	-62.42	458.65	9.71	-52.71
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012525879	1	62	0.0	-65.64	458.14	9.67	-55.97
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300012525880	0	59	0.0	-77.32	451.40	7.64	-69.68
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300012525880	1	59	0.0	-77.58	450.90	7.61	-69.97
CCN1CC[NH+](CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012525881	0	52	0.0	-69.56	409.18	5.54	-64.02
CC[NH+]1CCN(CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012525881	1	52	0.0	-70.25	409.51	5.48	-64.77
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012525882	0	57	0.0	-75.45	421.28	6.69	-68.76
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012525882	1	57	0.0	-75.10	420.79	6.69	-68.41
CCN1CC[NH+](CCCCNC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300012525883	0	56	0.0	-79.99	416.46	4.48	-75.51
CC[NH+]1CCN(CCCCNC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300012525883	1	56	0.0	-80.47	415.95	4.45	-76.02
CCOCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(CC)CC1	REAL300012525884	0	59	0.0	-73.13	436.21	6.18	-66.95
CCOCC(C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](CC)CC1	REAL300012525884	1	59	0.0	-72.53	435.71	6.15	-66.38
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012525885	0	58	0.0	-62.33	427.91	7.69	-54.64
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012525885	1	58	0.0	-65.37	427.66	7.87	-57.50
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012525886	0	53	0.0	-63.81	395.27	7.15	-56.66
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012525886	1	53	0.0	-62.25	395.05	7.16	-55.09
CCN1CC[NH+](CCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012525887	0	55	0.0	-62.50	431.64	7.77	-54.73
CC[NH+]1CCN(CCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012525887	1	55	0.0	-64.42	431.13	7.73	-56.69
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012525888	0	54	0.0	-75.36	399.60	3.33	-72.03
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012525888	1	54	0.0	-75.76	399.22	3.29	-72.47
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012525889	0	62	0.0	-77.75	447.82	7.02	-70.73
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012525889	1	62	0.0	-76.98	445.99	6.96	-70.02
CCN1CC[NH+](CCCCNC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012525890	0	63	0.0	-74.06	463.72	7.64	-66.42
CC[NH+]1CCN(CCCCNC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012525890	1	63	0.0	-72.74	462.88	7.55	-65.19
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012525891	0	57	0.0	-78.57	415.02	4.53	-74.04
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012525891	1	57	0.0	-78.01	414.51	4.50	-73.51
C=CCCC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525892	0	56	0.0	-74.80	427.55	6.16	-68.64
C=CCCC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525892	1	56	0.0	-75.32	427.88	6.12	-69.20
CCN1CC[NH+](CCCCNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012525893	0	49	0.0	-64.10	375.86	3.81	-60.29
CC[NH+]1CCN(CCCCNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012525893	1	49	0.0	-63.37	375.20	3.80	-59.57
CCN1CC[NH+](CCCCNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012525894	0	62	0.0	-57.61	460.32	10.62	-46.99
CC[NH+]1CCN(CCCCNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012525894	1	62	0.0	-78.82	459.70	10.48	-68.34
CCN1CC[NH+](CCCCNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012525895	0	52	0.0	-71.81	384.17	5.88	-65.93
CC[NH+]1CCN(CCCCNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012525895	1	52	0.0	-70.19	384.60	5.85	-64.34
CCN1CC[NH+](CCCCNC(=O)NC(CC)(CC)C(=O)[O-])CC1	REAL300012525896	0	58	0.0	-76.85	414.89	6.08	-70.77
CC[NH+]1CCN(CCCCNC(=O)NC(CC)(CC)C(=O)[O-])CC1	REAL300012525896	1	58	0.0	-76.64	414.09	6.05	-70.59
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)CC1	REAL300012525897	0	60	0.0	-77.06	459.70	6.19	-70.87
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)CC1	REAL300012525897	1	60	0.0	-77.16	459.20	6.16	-71.00
CCC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC)CC1	REAL300012525898	0	58	0.0	-61.01	425.32	8.07	-52.94
CCC(C)N(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC)CC1	REAL300012525898	1	58	0.0	-64.11	424.82	8.04	-56.07
CCN1CC[NH+](CCCCNC(=O)NC(CC)(COC)C(=O)[O-])CC1	REAL300012525899	0	59	0.0	-81.29	433.13	5.38	-75.91
CC[NH+]1CCN(CCCCNC(=O)NC(CC)(COC)C(=O)[O-])CC1	REAL300012525899	1	59	0.0	-81.82	432.63	5.35	-76.47
CCN1CC[NH+](CCCCNC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012525900	0	62	0.0	-73.64	456.48	6.95	-66.69
CC[NH+]1CCN(CCCCNC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012525900	1	62	0.0	-72.52	456.49	7.02	-65.50
CCN1CC[NH+](CCCCNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012525901	0	56	0.0	-75.51	425.68	6.37	-69.14
CC[NH+]1CCN(CCCCNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012525901	1	56	0.0	-75.69	425.18	6.34	-69.35
CCN1CC[NH+](CCCCNC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012525902	0	56	0.0	-75.10	426.92	3.89	-71.21
CC[NH+]1CCN(CCCCNC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012525902	1	56	0.0	-75.53	427.25	3.85	-71.68
CCN1CC[NH+](CCCCNC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012525903	0	61	0.0	-73.76	443.31	8.24	-65.52
CC[NH+]1CCN(CCCCNC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012525903	1	61	0.0	-73.23	442.81	8.21	-65.02
CCN1CC[NH+](CCCCNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012525904	0	52	0.0	-70.54	403.86	5.35	-65.19
CC[NH+]1CCN(CCCCNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012525904	1	52	0.0	-74.03	405.09	5.08	-68.95
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCN(CC)CC1	REAL300012525905	0	62	0.0	-84.44	444.61	9.23	-75.21
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCCN1CC[NH+](CC)CC1	REAL300012525905	1	62	0.0	-83.71	444.17	9.21	-74.50
CCCN(C(=O)NCCCC[NH+]1CCN(CC)CC1)C(C)C(=O)[O-]	REAL300012525906	0	58	0.0	-58.50	424.54	8.19	-50.31
CCCN(C(=O)NCCCCN1CC[NH+](CC)CC1)C(C)C(=O)[O-]	REAL300012525906	1	58	0.0	-70.99	422.66	7.32	-63.67
CCN1CC[NH+](CCCCNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012525907	0	62	0.0	-76.79	461.76	10.40	-66.39
CC[NH+]1CCN(CCCCNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012525907	1	62	0.0	-76.30	461.36	10.34	-65.96
CCN1CC[NH+](CCCCNC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525908	0	62	0.0	-78.70	454.90	8.54	-70.16
CC[NH+]1CCN(CCCCNC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525908	1	62	0.0	-78.79	454.51	8.53	-70.26
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300012525909	0	66	0.0	-80.96	479.60	6.10	-74.86
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300012525909	1	66	0.0	-80.05	479.09	6.07	-73.98
CCN1CC[NH+](CCCCNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012525910	0	52	0.0	-73.76	399.83	4.97	-68.79
CC[NH+]1CCN(CCCCNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012525910	1	52	0.0	-73.97	400.16	4.93	-69.04
CCN1CC[NH+](CCCCNC(=O)NC(CC2(OC)CCC2)C(=O)[O-])CC1	REAL300012525911	0	63	0.0	-78.15	465.81	5.82	-72.33
CC[NH+]1CCN(CCCCNC(=O)NC(CC2(OC)CCC2)C(=O)[O-])CC1	REAL300012525911	1	63	0.0	-75.70	462.66	6.12	-69.58
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012525912	0	60	0.0	-62.72	436.78	6.53	-56.19
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012525912	1	60	0.0	-65.35	436.28	6.50	-58.85
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012525913	0	62	0.0	-62.68	445.72	8.90	-53.78
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012525913	1	62	0.0	-64.31	445.22	8.87	-55.44
CCN1CC[NH+](CCCCNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012525914	0	62	0.0	-79.95	436.90	7.38	-72.57
CC[NH+]1CCN(CCCCNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012525914	1	62	0.0	-80.38	436.89	7.37	-73.01
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012525915	0	60	0.0	-79.76	459.71	6.18	-73.58
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012525915	1	60	0.0	-79.91	459.21	6.15	-73.76
CCN1CC[NH+](CCCCNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012525916	0	55	0.0	-72.65	404.80	5.33	-67.32
CC[NH+]1CCN(CCCCNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012525916	1	55	0.0	-73.14	404.30	5.30	-67.84
CCN1CC[NH+](CCCCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012525917	0	57	0.0	-67.03	426.99	7.37	-59.66
CC[NH+]1CCN(CCCCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012525917	1	57	0.0	-68.43	427.09	7.47	-60.96
CCN1CC[NH+](CCCCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012525918	0	53	0.0	-75.64	406.59	6.58	-69.06
CC[NH+]1CCN(CCCCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012525918	1	53	0.0	-75.12	407.49	6.44	-68.68
CCN1CC[NH+](CCCCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012525919	0	60	0.0	-79.61	459.71	6.17	-73.44
CC[NH+]1CCN(CCCCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012525919	1	60	0.0	-79.53	458.63	6.17	-73.36
CCN1CC[NH+](CCCCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012525920	0	52	0.0	-71.47	385.41	5.94	-65.53
CC[NH+]1CCN(CCCCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012525920	1	52	0.0	-71.12	383.54	5.78	-65.34
CCN1CC[NH+](CCCCNC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])CC1	REAL300012525921	0	62	0.0	-83.93	458.87	8.60	-75.33
CC[NH+]1CCN(CCCCNC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])CC1	REAL300012525921	1	62	0.0	-82.58	457.70	8.47	-74.11
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012525922	0	65	0.0	-80.93	451.51	7.90	-73.03
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012525922	1	65	0.0	-80.39	451.03	7.86	-72.53
CCN1CC[NH+](CCCCNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012525923	0	54	0.0	-87.42	400.14	7.36	-80.06
CC[NH+]1CCN(CCCCNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012525923	1	54	0.0	-86.06	398.93	7.23	-78.83
CCN1CC[NH+](CCCCNC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300012525924	0	60	0.0	-82.04	443.22	6.25	-75.79
CC[NH+]1CCN(CCCCNC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300012525924	1	60	0.0	-78.17	441.58	6.17	-72.00
CCN1CC[NH+](CCCCNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012525925	0	63	0.0	-75.48	465.23	5.71	-69.77
CC[NH+]1CCN(CCCCNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012525925	1	63	0.0	-74.89	460.50	6.37	-68.52
CCN1CC[NH+](CCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012525926	0	58	0.0	-77.10	424.37	5.89	-71.21
CC[NH+]1CCN(CCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012525926	1	58	0.0	-74.27	422.10	5.80	-68.47
C=C(Cl)CC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525927	0	53	0.0	-75.53	422.51	5.89	-69.64
C=C(Cl)CC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525927	1	53	0.0	-75.89	422.84	5.84	-70.05
C=C(C)CC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525928	0	56	0.0	-75.10	427.09	6.03	-69.07
C=C(C)CC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525928	1	56	0.0	-75.70	427.43	5.98	-69.72
CCN1CC[NH+](CCCCNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012525929	0	57	0.0	-89.54	414.92	8.16	-81.38
CC[NH+]1CCN(CCCCNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012525929	1	57	0.0	-88.77	414.12	8.15	-80.62
CCN1CC[NH+](CCCCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012525930	0	53	0.0	-75.24	404.64	6.77	-68.47
CC[NH+]1CCN(CCCCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012525930	1	53	0.0	-74.76	405.30	6.87	-67.89
CCN1CC[NH+](CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012525931	0	53	0.0	-79.25	398.17	6.69	-72.56
CC[NH+]1CCN(CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012525931	1	53	0.0	-78.75	398.17	6.69	-72.06
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CCN(CC)CC2)C1	REAL300012525932	0	54	0.0	-82.25	405.41	6.62	-75.63
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCCN2CC[NH+](CC)CC2)C1	REAL300012525932	1	54	0.0	-81.32	405.91	6.65	-74.67
CCN1CC[NH+](CCCCNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012525933	0	63	0.0	-76.01	461.33	6.30	-69.71
CC[NH+]1CCN(CCCCNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012525933	1	63	0.0	-74.72	460.82	6.26	-68.46
CCN1CC[NH+](CCCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012525934	0	58	0.0	-76.10	432.73	6.15	-69.95
CC[NH+]1CCN(CCCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012525934	1	58	0.0	-76.14	432.26	6.11	-70.03
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012525935	0	60	0.0	-79.45	438.57	4.60	-74.85
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012525935	1	60	0.0	-78.35	438.07	4.57	-73.78
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525936	0	56	0.0	-77.02	429.99	6.97	-70.05
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525936	1	56	0.0	-77.83	429.70	6.86	-70.97
CCN1CC[NH+](CCCCNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012525937	0	56	0.0	-75.51	425.68	6.37	-69.14
CC[NH+]1CCN(CCCCNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012525937	1	56	0.0	-75.69	425.18	6.34	-69.35
CCN1CC[NH+](CCCCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012525938	0	55	0.0	-74.59	439.04	5.00	-69.59
CC[NH+]1CCN(CCCCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012525938	1	55	0.0	-74.82	438.54	4.97	-69.85
CCN1CC[NH+](CCCCNC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012525939	0	64	0.0	-75.62	476.14	7.67	-67.95
CC[NH+]1CCN(CCCCNC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012525939	1	64	0.0	-75.55	475.64	7.62	-67.93
CCN1CC[NH+](CCCCNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012525940	0	60	0.0	-79.98	450.02	5.26	-74.72
CC[NH+]1CCN(CCCCNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012525940	1	60	0.0	-79.57	448.86	5.12	-74.45
CCN1CC[NH+](CCCCNC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012525941	0	53	0.0	-72.70	416.87	5.26	-67.44
CC[NH+]1CCN(CCCCNC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012525941	1	53	0.0	-73.59	417.04	5.21	-68.38
CCN1CC[NH+](CCCCNC(=O)N[C@@H](COC)C(=O)[O-])CC1	REAL300012525942	0	53	0.0	-77.16	405.93	3.05	-74.11
CC[NH+]1CCN(CCCCNC(=O)N[C@@H](COC)C(=O)[O-])CC1	REAL300012525942	1	53	0.0	-77.28	405.30	3.07	-74.21
CC[C@H](NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525943	0	52	0.0	-75.69	394.08	4.82	-70.87
CC[C@H](NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525943	1	52	0.0	-74.26	392.92	4.67	-69.59
CCN1CC[NH+](CCCCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012525944	0	59	0.0	-75.26	458.87	7.89	-67.37
CC[NH+]1CCN(CCCCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012525944	1	59	0.0	-74.10	457.51	7.82	-66.28
CCC(C)CC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525945	0	61	0.0	-76.03	451.01	6.78	-69.25
CCC(C)CC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525945	1	61	0.0	-76.01	450.50	6.75	-69.26
C=CCCCC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525946	0	59	0.0	-74.62	449.05	6.93	-67.69
C=CCCCC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525946	1	59	0.0	-75.27	449.38	6.90	-68.37
CCN1CC[NH+](CCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012525947	0	59	0.0	-75.14	458.86	7.90	-67.24
CC[NH+]1CCN(CCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012525947	1	59	0.0	-73.54	457.70	7.75	-65.79
CCN1CC[NH+](CCCCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012525948	0	54	0.0	-82.86	403.99	7.85	-75.01
CC[NH+]1CCN(CCCCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012525948	1	54	0.0	-82.02	403.49	7.82	-74.20
CCN1CC[NH+](CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525949	0	59	0.0	-77.98	438.03	7.66	-70.32
CC[NH+]1CCN(CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525949	1	59	0.0	-78.70	437.53	7.63	-71.07
CCN1CC[NH+](CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012525950	0	53	0.0	-82.23	392.43	6.29	-75.94
CC[NH+]1CCN(CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012525950	1	53	0.0	-81.63	393.10	6.38	-75.25
CCCC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525951	0	55	0.0	-75.09	414.74	5.60	-69.49
CCCC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525951	1	55	0.0	-75.63	415.07	5.56	-70.07
CCN1CC[NH+](CCCCNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300012525952	0	55	0.0	-76.25	406.19	5.14	-71.11
CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300012525952	1	55	0.0	-75.71	405.02	5.01	-70.70
CCN1CC[NH+](CCCCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012525953	0	57	0.0	-88.34	413.97	8.24	-80.10
CC[NH+]1CCN(CCCCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012525953	1	57	0.0	-87.65	413.64	8.25	-79.40
CCN(C(=O)NCCCC[NH+]1CCN(CC)CC1)C(C)(C)C(=O)[O-]	REAL300012525954	0	58	0.0	-78.83	418.80	7.60	-71.23
CCN(C(=O)NCCCCN1CC[NH+](CC)CC1)C(C)(C)C(=O)[O-]	REAL300012525954	1	58	0.0	-78.59	418.30	7.56	-71.03
CCCN(C(=O)NCCCC[NH+]1CCN(CC)CC1)C(C)C(=O)[O-]	REAL300012525955	0	58	0.0	-58.50	424.54	8.19	-50.31
CCCN(C(=O)NCCCCN1CC[NH+](CC)CC1)C(C)C(=O)[O-]	REAL300012525955	1	58	0.0	-70.99	422.66	7.32	-63.67
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012525956	0	52	0.0	-70.78	406.62	7.14	-63.64
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012525956	1	52	0.0	-69.92	406.12	7.11	-62.81
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012525957	0	52	0.0	-70.78	406.62	7.14	-63.64
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012525957	1	52	0.0	-69.92	406.12	7.11	-62.81
CCN1CC[NH+](CCCCNC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012525958	0	55	0.0	-78.83	399.30	6.70	-72.13
CC[NH+]1CCN(CCCCNC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012525958	1	55	0.0	-78.62	398.81	6.67	-71.95
CCN1CC[NH+](CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012525959	0	53	0.0	-81.97	392.82	6.73	-75.24
CC[NH+]1CCN(CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012525959	1	53	0.0	-82.06	392.32	6.70	-75.36
CCN1CC[NH+](CCCCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012525960	0	65	0.0	-63.39	480.35	5.10	-58.29
CC[NH+]1CCN(CCCCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012525960	1	65	0.0	-64.31	479.18	4.96	-59.35
CCN1CC[NH+](CCCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012525961	0	54	0.0	-84.08	404.85	3.04	-81.04
CC[NH+]1CCN(CCCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012525961	1	54	0.0	-82.81	404.85	3.04	-79.77
CCN1CC[NH+](CCCCNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])CC1	REAL300012525962	0	60	0.0	-60.90	448.63	9.66	-51.24
CC[NH+]1CCN(CCCCNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])CC1	REAL300012525962	1	60	0.0	-65.90	448.12	9.63	-56.27
CCC[C@@H](NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525963	0	55	0.0	-75.43	415.33	5.64	-69.79
CCC[C@@H](NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525963	1	55	0.0	-74.88	415.07	5.56	-69.32
CCN1CC[NH+](CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525964	0	56	0.0	-77.03	429.51	6.93	-70.10
CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525964	1	56	0.0	-76.99	428.85	6.83	-70.16
CCN1CC[NH+](CCCCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012525965	0	61	0.0	-76.86	470.12	6.90	-69.96
CC[NH+]1CCN(CCCCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012525965	1	61	0.0	-76.35	469.86	6.80	-69.55
C=CCCC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525966	0	56	0.0	-74.80	427.55	6.16	-68.64
C=CCCC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525966	1	56	0.0	-75.32	427.88	6.12	-69.20
CCN1CC[NH+](CCCCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012525967	0	55	0.0	-78.15	438.78	4.89	-73.26
CC[NH+]1CCN(CCCCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012525967	1	55	0.0	-77.28	438.28	4.86	-72.42
CCN1CC[NH+](CCCCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012525968	0	56	0.0	-91.24	423.33	4.28	-86.96
CC[NH+]1CCN(CCCCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012525968	1	56	0.0	-88.76	422.17	4.16	-84.60
CCN1CC[NH+](CCCCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012525969	0	57	0.0	-76.79	421.10	5.98	-70.81
CC[NH+]1CCN(CCCCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012525969	1	57	0.0	-76.68	420.60	5.95	-70.73
CCN1CC[NH+](CCCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012525970	0	56	0.0	-81.98	409.43	7.25	-74.73
CC[NH+]1CCN(CCCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012525970	1	56	0.0	-81.12	409.46	7.25	-73.87
CCN1CC[NH+](CCCCNC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300012525971	0	55	0.0	-74.56	407.75	5.32	-69.24
CC[NH+]1CCN(CCCCNC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300012525971	1	55	0.0	-73.08	407.09	5.22	-67.86
CCN1CC[NH+](CCCCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525972	0	56	0.0	-77.47	430.21	6.88	-70.59
CC[NH+]1CCN(CCCCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012525972	1	56	0.0	-75.90	428.44	6.77	-69.13
CCN1CC[NH+](CCCCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012525973	0	59	0.0	-79.17	439.69	6.22	-72.95
CC[NH+]1CCN(CCCCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012525973	1	59	0.0	-78.04	443.54	6.22	-71.82
CCN1CC[NH+](CCCCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012525974	0	52	0.0	-71.47	385.41	5.94	-65.53
CC[NH+]1CCN(CCCCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012525974	1	52	0.0	-71.12	383.54	5.78	-65.34
CCC[C@H](NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525975	0	55	0.0	-74.99	414.76	5.61	-69.38
CCC[C@H](NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525975	1	55	0.0	-75.39	414.83	5.61	-69.78
CCN(C(=O)NCCCC[NH+]1CCN(CC)CC1)C(C)C(=O)[O-]	REAL300012525976	0	55	0.0	-76.85	405.00	7.36	-69.49
CCN(C(=O)NCCCCN1CC[NH+](CC)CC1)C(C)C(=O)[O-]	REAL300012525976	1	55	0.0	-70.42	400.77	6.52	-63.90
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012525977	0	59	0.0	-62.23	428.35	8.20	-54.03
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012525977	1	59	0.0	-63.90	427.85	8.17	-55.73
CCN1CC[NH+](CCCCNC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300012525978	0	55	0.0	-75.24	405.30	6.31	-68.93
CC[NH+]1CCN(CCCCNC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300012525978	1	55	0.0	-73.22	404.80	6.28	-66.94
CC[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012525979	0	58	0.0	-75.93	424.59	5.82	-70.11
CC[C@H](C)[C@H](NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012525979	1	58	0.0	-76.72	424.82	5.74	-70.98
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(CC)CC1	REAL300012525980	0	55	0.0	-71.74	405.04	6.85	-64.89
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](CC)CC1	REAL300012525980	1	55	0.0	-71.12	404.54	6.81	-64.31
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012525981	0	57	0.0	-85.29	425.74	2.71	-82.58
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012525981	1	57	0.0	-85.80	425.24	2.68	-83.12
CCN1CC[NH+](CCCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012525982	0	65	0.0	-78.38	477.53	6.07	-72.31
CC[NH+]1CCN(CCCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012525982	1	65	0.0	-78.70	477.05	6.10	-72.60
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012525983	0	59	0.0	-79.96	430.14	6.55	-73.41
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012525983	1	59	0.0	-79.56	429.64	6.52	-73.04
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012525984	0	62	0.0	-80.82	438.01	7.17	-73.65
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012525984	1	62	0.0	-80.65	437.51	7.14	-73.51
CCN1CC[NH+](CCCCNC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012525985	0	56	0.0	-75.10	426.92	3.89	-71.21
CC[NH+]1CCN(CCCCNC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012525985	1	56	0.0	-75.53	427.25	3.85	-71.68
CCN1CC[NH+](CCCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525986	0	62	0.0	-74.47	461.58	9.86	-64.61
CC[NH+]1CCN(CCCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012525986	1	62	0.0	-73.48	459.91	9.61	-63.87
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012525987	0	59	0.0	-81.20	431.41	7.23	-73.97
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012525987	1	59	0.0	-81.64	430.90	7.20	-74.44
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012525988	0	56	0.0	-78.37	417.68	6.18	-72.19
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012525988	1	56	0.0	-77.39	417.18	6.15	-71.24
CCN1CC[NH+](CCCCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012525989	0	65	0.0	-78.16	478.63	6.05	-72.11
CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012525989	1	65	0.0	-77.71	477.92	6.03	-71.68
CCN1CC[NH+](CCCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012525990	0	54	0.0	-88.00	402.32	3.10	-84.90
CC[NH+]1CCN(CCCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012525990	1	54	0.0	-87.20	403.53	3.21	-83.99
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012525991	0	57	0.0	-74.15	428.61	3.95	-70.20
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012525991	1	57	0.0	-75.19	420.35	3.82	-71.37
CCN1CC[NH+](CCCCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012525992	0	57	0.0	-86.10	413.61	7.73	-78.37
CC[NH+]1CCN(CCCCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012525992	1	57	0.0	-86.10	414.43	7.83	-78.27
CCN1CC[NH+](CCCCNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012525993	0	55	0.0	-82.84	407.43	5.54	-77.30
CC[NH+]1CCN(CCCCNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012525993	1	55	0.0	-82.42	406.96	5.52	-76.90
CCN1CC[NH+](CCCCNC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012525994	0	59	0.0	-85.42	425.01	8.58	-76.84
CC[NH+]1CCN(CCCCNC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012525994	1	59	0.0	-84.38	423.84	8.45	-75.93
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012525995	0	62	0.0	-75.93	467.40	8.16	-67.77
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012525995	1	62	0.0	-75.62	466.51	8.10	-67.52
CCN1CC[NH+](CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012525996	0	63	0.0	-75.39	462.07	8.68	-66.71
CC[NH+]1CCN(CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012525996	1	63	0.0	-76.39	466.29	7.92	-68.47
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012525997	0	56	0.0	-76.45	414.20	5.79	-70.66
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012525997	1	56	0.0	-76.10	413.71	5.67	-70.43
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012525998	0	62	0.0	-77.75	447.82	7.02	-70.73
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012525998	1	62	0.0	-76.98	445.99	6.96	-70.02
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012525999	0	56	0.0	-76.45	414.20	5.79	-70.66
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012525999	1	56	0.0	-76.10	413.71	5.67	-70.43
CCN1CC[NH+](CCCCNC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012526000	0	56	0.0	-83.30	414.20	7.02	-76.28
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012526000	1	56	0.0	-83.52	413.69	6.99	-76.53
C=CCC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012526001	0	53	0.0	-74.63	406.56	5.27	-69.36
C=CCC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012526001	1	53	0.0	-75.30	406.89	5.24	-70.06
CCN1CC[NH+](CCCCNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012526002	0	63	0.0	-79.41	468.29	6.00	-73.41
CC[NH+]1CCN(CCCCNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012526002	1	63	0.0	-75.07	465.82	6.51	-68.56
CCN1CC[NH+](CCCCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012526003	0	63	0.0	-56.53	443.96	8.64	-47.89
CC[NH+]1CCN(CCCCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012526003	1	63	0.0	-62.81	439.92	8.56	-54.25
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012526004	0	63	0.0	-79.58	444.12	5.83	-73.75
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012526004	1	63	0.0	-78.73	443.62	5.80	-72.93
CCN1CC[NH+](CCCCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012526005	0	57	0.0	-60.93	415.85	7.75	-53.18
CC[NH+]1CCN(CCCCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012526005	1	57	0.0	-64.54	415.62	7.76	-56.78
CCN1CC[NH+](CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012526006	0	63	0.0	-75.39	462.07	8.68	-66.71
CC[NH+]1CCN(CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012526006	1	63	0.0	-76.39	466.29	7.92	-68.47
CCN1CC[NH+](CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012526007	0	59	0.0	-78.32	458.68	7.96	-70.36
CC[NH+]1CCN(CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012526007	1	59	0.0	-77.36	458.41	7.86	-69.50
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300012526008	0	57	0.0	-82.74	428.66	4.50	-78.24
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300012526008	1	57	0.0	-77.08	426.31	4.36	-72.72
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012526009	0	53	0.0	-78.61	403.63	5.55	-73.06
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012526009	1	53	0.0	-77.96	402.47	5.42	-72.54
CCN1CC[NH+](CCCCNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)CC1	REAL300012526010	0	57	0.0	-78.47	427.15	4.79	-73.68
CC[NH+]1CCN(CCCCNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)CC1	REAL300012526010	1	57	0.0	-77.83	425.99	4.66	-73.17
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012526011	0	56	0.0	-77.51	432.04	6.59	-70.92
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012526011	1	56	0.0	-75.96	431.54	6.56	-69.40
CCN1CC[NH+](CCCCNC(=O)N2CCCC2(CC)C(=O)[O-])CC1	REAL300012526012	0	59	0.0	-82.74	425.73	8.42	-74.32
CC[NH+]1CCN(CCCCNC(=O)N2CCCC2(CC)C(=O)[O-])CC1	REAL300012526012	1	59	0.0	-83.44	422.72	8.47	-74.97
CCN1CC[NH+](CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012526013	0	52	0.0	-69.56	409.18	5.54	-64.02
CC[NH+]1CCN(CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012526013	1	52	0.0	-70.25	409.51	5.48	-64.77
CCN1CC[NH+](CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012526014	0	60	0.0	-75.84	448.97	4.88	-70.96
CC[NH+]1CCN(CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012526014	1	60	0.0	-72.02	442.11	4.43	-67.59
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012526015	0	51	0.0	-74.40	386.18	2.56	-71.84
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012526015	1	51	0.0	-73.92	384.86	2.43	-71.49
CCN1CC[NH+](CCCCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012526016	0	56	0.0	-76.93	444.37	6.89	-70.04
CC[NH+]1CCN(CCCCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012526016	1	56	0.0	-76.32	443.04	6.87	-69.45
CCN1CC[NH+](CCCCNC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012526017	0	58	0.0	-76.62	414.95	5.88	-70.74
CC[NH+]1CCN(CCCCNC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012526017	1	58	0.0	-76.95	412.63	5.78	-71.17
CCN1CC[NH+](CCCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012526018	0	54	0.0	-85.14	397.74	7.72	-77.42
CC[NH+]1CCN(CCCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012526018	1	54	0.0	-84.74	398.91	7.86	-76.88
CCN1CC[NH+](CCCCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012526019	0	57	0.0	-83.95	415.57	7.45	-76.50
CC[NH+]1CCN(CCCCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012526019	1	57	0.0	-83.10	416.07	7.49	-75.61
CCN1CC[NH+](CCCCNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012526020	0	62	0.0	-76.79	461.76	10.40	-66.39
CC[NH+]1CCN(CCCCNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012526020	1	62	0.0	-76.30	461.36	10.34	-65.96
CCN1CC[NH+](CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012526021	0	65	0.0	-75.88	474.20	8.09	-67.79
CC[NH+]1CCN(CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012526021	1	65	0.0	-75.21	473.66	8.05	-67.16
CCN1CC[NH+](CCCCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012526022	0	62	0.0	-76.06	474.65	8.61	-67.45
CC[NH+]1CCN(CCCCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012526022	1	62	0.0	-75.24	474.32	8.46	-66.78
CCN1CC[NH+](CCCCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012526023	0	62	0.0	-76.85	475.48	8.61	-68.24
CC[NH+]1CCN(CCCCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012526023	1	62	0.0	-75.91	474.08	8.53	-67.38
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012526024	0	63	0.0	-77.39	455.62	7.62	-69.77
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012526024	1	63	0.0	-77.81	455.86	7.43	-70.38
CCN1CC[NH+](CCCCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012526025	0	65	0.0	-76.12	474.18	8.10	-68.02
CC[NH+]1CCN(CCCCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012526025	1	65	0.0	-75.65	473.90	7.99	-67.66
CCN1CC[NH+](CCCCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012526026	0	65	0.0	-75.93	474.20	8.09	-67.84
CC[NH+]1CCN(CCCCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012526026	1	65	0.0	-76.46	473.91	7.99	-68.47
CCN1CC[NH+](CCCCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012526027	0	63	0.0	-60.44	455.49	8.64	-51.80
CC[NH+]1CCN(CCCCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012526027	1	63	0.0	-63.36	454.33	8.51	-54.85
CCN1CC[NH+](CCCCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012526028	0	63	0.0	-84.33	450.31	8.50	-75.83
CC[NH+]1CCN(CCCCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012526028	1	63	0.0	-83.36	450.08	8.48	-74.88
C=CCSCC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012526029	0	57	0.0	-73.44	451.82	6.69	-66.75
C=CCSCC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012526029	1	57	0.0	-73.17	450.65	6.68	-66.49
CCC(C(=O)[O-])N(CC)C(=O)NCCCC[NH+]1CCN(CC)CC1	REAL300012526030	0	58	0.0	-77.94	420.08	8.26	-69.68
CCC(C(=O)[O-])N(CC)C(=O)NCCCCN1CC[NH+](CC)CC1	REAL300012526030	1	58	0.0	-77.53	420.30	8.24	-69.29
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2(OC)CCC2)CC1	REAL300012526031	0	60	0.0	-72.95	441.68	4.48	-68.47
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2(OC)CCC2)CC1	REAL300012526031	1	60	0.0	-71.97	439.85	4.32	-67.65
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012526032	0	56	0.0	-75.95	429.16	6.42	-69.53
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012526032	1	56	0.0	-83.28	426.53	6.33	-76.95
CCN1CC[NH+](CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012526034	0	53	0.0	-79.25	398.17	6.69	-72.56
CC[NH+]1CCN(CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012526034	1	53	0.0	-78.75	398.17	6.69	-72.06
CCN1CC[NH+](CCCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012526035	0	55	0.0	-60.22	408.91	7.56	-52.66
CC[NH+]1CCN(CCCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012526035	1	55	0.0	-65.13	408.42	7.51	-57.62
CCN1CC[NH+](CCCCNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012526036	0	59	0.0	-84.07	428.97	7.38	-76.69
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012526036	1	59	0.0	-83.62	427.81	7.24	-76.38
CCN1CC[NH+](CCCCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012526037	0	63	0.0	-84.79	449.37	9.40	-75.39
CC[NH+]1CCN(CCCCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012526037	1	63	0.0	-84.52	448.85	9.37	-75.15
CCN1CC[NH+](CCCCNC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300012526038	0	61	0.0	-75.83	454.64	6.88	-68.95
CC[NH+]1CCN(CCCCNC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300012526038	1	61	0.0	-75.22	453.30	6.86	-68.36
CCN1CC[NH+](CCCCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012526039	0	60	0.0	-60.30	439.71	8.21	-52.09
CC[NH+]1CCN(CCCCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012526039	1	60	0.0	-63.59	439.21	8.18	-55.41
CCN1CC[NH+](CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012526040	0	60	0.0	-75.84	448.97	4.88	-70.96
CC[NH+]1CCN(CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012526040	1	60	0.0	-72.02	442.11	4.43	-67.59
CCN1CC[NH+](CCCCNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])CC1	REAL300012526041	0	57	0.0	-79.82	434.96	7.79	-72.03
CC[NH+]1CCN(CCCCNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])CC1	REAL300012526041	1	57	0.0	-79.53	436.11	7.91	-71.62
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012526042	0	60	0.0	-79.47	432.15	7.41	-72.06
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012526042	1	60	0.0	-79.23	431.65	7.38	-71.85
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012526043	0	57	0.0	-81.31	416.57	6.76	-74.55
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012526043	1	57	0.0	-81.76	416.07	6.72	-75.04
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012526044	0	60	0.0	-79.76	437.83	7.15	-72.61
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012526044	1	60	0.0	-79.71	436.66	7.01	-72.70
CCN1CC[NH+](CCCCNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012526045	0	62	0.0	-75.25	463.01	9.88	-65.37
CC[NH+]1CCN(CCCCNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012526045	1	62	0.0	-73.41	462.60	9.85	-63.56
CCN1CC[NH+](CCCCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012526046	0	66	0.0	-60.20	468.79	9.19	-51.01
CC[NH+]1CCN(CCCCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012526046	1	66	0.0	-64.67	467.60	9.05	-55.62
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012526047	0	59	0.0	-76.96	430.55	6.30	-70.66
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012526047	1	59	0.0	-76.58	437.01	6.50	-70.08
CCN1CC[NH+](CCCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300012526048	0	56	0.0	-76.72	423.94	4.12	-72.60
CC[NH+]1CCN(CCCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300012526048	1	56	0.0	-76.80	423.09	4.02	-72.78
CCN1CC[NH+](CCCCNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012526049	0	56	0.0	-82.76	416.58	6.52	-76.24
CC[NH+]1CCN(CCCCNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012526049	1	56	0.0	-82.30	416.59	6.52	-75.78
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012526050	0	59	0.0	-63.20	451.00	9.63	-53.57
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012526050	1	59	0.0	-65.94	450.50	9.60	-56.34
CCN1CC[NH+](CCCCNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012526051	0	59	0.0	-60.41	432.69	7.52	-52.89
CC[NH+]1CCN(CCCCNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012526051	1	59	0.0	-63.64	432.20	7.49	-56.15
CCN1CC[NH+](CCCCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012526052	0	56	0.0	-82.37	415.19	7.85	-74.52
CC[NH+]1CCN(CCCCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012526052	1	56	0.0	-81.32	414.54	7.86	-73.46
CCN1CC[NH+](CCCCNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012526053	0	53	0.0	-84.85	404.51	6.86	-77.99
CC[NH+]1CCN(CCCCNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012526053	1	53	0.0	-82.62	403.35	6.73	-75.89
CCN1CC[NH+](CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012526054	0	59	0.0	-78.32	458.68	7.96	-70.36
CC[NH+]1CCN(CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012526054	1	59	0.0	-77.36	458.41	7.86	-69.50
CCN1CC[NH+](CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012526055	0	56	0.0	-75.97	443.34	6.76	-69.21
CC[NH+]1CCN(CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012526055	1	56	0.0	-74.68	442.59	6.80	-67.88
CCN1CC[NH+](CCCCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012526056	0	56	0.0	-74.70	421.51	7.36	-67.34
CC[NH+]1CCN(CCCCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012526056	1	56	0.0	-72.90	420.86	7.26	-65.64
CCN1CC[NH+](CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012526057	0	56	0.0	-75.97	443.34	6.76	-69.21
CC[NH+]1CCN(CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012526057	1	56	0.0	-74.68	442.59	6.80	-67.88
CCN1CC[NH+](CCCCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012526058	0	60	0.0	-84.59	429.48	7.68	-76.91
CC[NH+]1CCN(CCCCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012526058	1	60	0.0	-83.95	431.22	8.09	-75.86
CCN1CC[NH+](CCCCNC(=O)NC(CCCOC)C(=O)[O-])CC1	REAL300012526059	0	59	0.0	-74.60	448.41	4.66	-69.94
CC[NH+]1CCN(CCCCNC(=O)NC(CCCOC)C(=O)[O-])CC1	REAL300012526059	1	59	0.0	-74.78	447.91	4.63	-70.15
CCCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(CC)CC1	REAL300012526060	0	58	0.0	-72.84	425.99	7.58	-65.26
CCCC(C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](CC)CC1	REAL300012526060	1	58	0.0	-71.88	425.45	7.70	-64.18
CCOCC(NC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012526061	0	56	0.0	-77.64	427.79	4.04	-73.60
CCOCC(NC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012526061	1	56	0.0	-77.50	426.80	3.99	-73.51
CCN1CC[NH+](CCCCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012526062	0	61	0.0	-75.75	444.67	7.27	-68.48
CC[NH+]1CCN(CCCCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012526062	1	61	0.0	-75.44	444.41	7.18	-68.26
CCN1CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012526063	0	60	0.0	-78.69	445.32	5.37	-73.32
CC[NH+]1CCN(CCCCNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012526063	1	60	0.0	-77.29	444.16	5.23	-72.06
CCN1CC[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012526064	0	60	0.0	-79.09	448.19	8.07	-71.02
CC[NH+]1CCN(CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012526064	1	60	0.0	-79.04	447.69	8.04	-71.00
CCN1CC[NH+](CCCCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012526065	0	57	0.0	-83.85	414.39	6.18	-77.67
CC[NH+]1CCN(CCCCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012526065	1	57	0.0	-83.57	415.49	6.31	-77.26
CCN1CC[NH+](CCCCNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012526066	0	53	0.0	-76.59	414.94	5.32	-71.27
CC[NH+]1CCN(CCCCNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012526066	1	53	0.0	-75.66	413.58	5.30	-70.36
CCN1CC[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012526067	0	56	0.0	-64.64	427.04	7.52	-57.12
CC[NH+]1CCN(CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012526067	1	56	0.0	-65.92	426.56	7.49	-58.43
CCN1CC[NH+](CCCCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012526068	0	52	0.0	-71.92	384.04	5.82	-66.10
CC[NH+]1CCN(CCCCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012526068	1	52	0.0	-70.78	383.55	5.69	-65.09
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CCN(CC)CC2)C1	REAL300012526069	0	60	0.0	-82.68	447.51	6.26	-76.42
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCCN2CC[NH+](CC)CC2)C1	REAL300012526069	1	60	0.0	-82.34	447.94	6.70	-75.64
CC(C)C[C@H](NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526070	0	59	0.0	-75.07	439.61	9.14	-65.93
C=CCOCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526071	0	58	0.0	-76.60	447.75	7.55	-69.05
C=CC(C)C(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526072	0	57	0.0	-75.68	425.93	8.69	-66.99
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012526073	0	61	0.0	-78.79	445.63	7.56	-71.23
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012526074	0	57	0.0	-70.43	449.37	9.99	-60.44
COC1CCN(C(=O)NCCCC[NH+]2CC(C)CC(C)C2)C(C(=O)[O-])C1	REAL300012526075	0	61	0.0	-85.13	443.22	9.73	-75.40
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012526076	0	61	0.0	-74.44	445.60	7.59	-66.85
CC1CCN(C(=O)NCCCC[NH+]2CC(C)CC(C)C2)C(C(=O)[O-])C1	REAL300012526077	0	60	0.0	-85.66	432.18	11.58	-74.08
CC1=CC(C(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])=CC=C1F	REAL300012526078	0	60	0.0	-73.10	463.80	10.62	-62.48
CC1=CC(C)=CC(C(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])=C1	REAL300012526079	0	63	0.0	-77.51	479.90	11.25	-66.26
CC1=CC=C(C(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])C=C1C	REAL300012526080	0	63	0.0	-77.92	475.69	11.04	-66.88
CC1=CC=CC(C(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])=C1C	REAL300012526081	0	63	0.0	-76.29	466.34	10.86	-65.43
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526082	0	56	0.0	-61.99	420.56	10.34	-51.65
CC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CC(C)CC(C)C1)C1CCC1	REAL300012526083	0	60	0.0	-63.62	432.90	10.64	-52.98
CCCN(C(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(COC)C(=O)[O-]	REAL300012526084	0	63	0.0	-78.83	462.54	11.33	-67.50
CCCN(C(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(CC)C(=O)[O-]	REAL300012526085	0	62	0.0	-57.68	445.32	11.99	-45.69
CC(C)C(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526086	0	56	0.0	-74.56	416.26	8.38	-66.18
CC1CC(C)C[NH+](CCCCNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012526087	0	57	0.0	-85.43	411.24	10.95	-74.48
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012526088	0	57	0.0	-72.61	453.40	10.39	-62.22
CC1CC(C)C[NH+](CCCCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012526089	0	55	0.0	-82.31	411.06	10.81	-71.50
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012526090	0	60	0.0	-78.94	430.69	9.99	-68.95
CC1CC(C)C[NH+](CCCCNC(=O)N2CCCC2C(=O)[O-])C1	REAL300012526091	0	54	0.0	-81.49	399.93	9.68	-71.81
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012526092	0	57	0.0	-79.06	416.18	8.89	-70.17
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012526093	0	63	0.0	-79.53	436.35	10.65	-68.88
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012526094	0	60	0.0	-76.55	459.33	10.85	-65.70
CC1CC(C)C[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012526095	0	60	0.0	-62.32	458.07	12.58	-49.74
CC1CC(C)C[NH+](CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012526096	0	57	0.0	-76.61	437.07	9.92	-66.69
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012526097	0	57	0.0	-76.92	437.26	9.84	-67.08
CCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526098	0	53	0.0	-74.52	400.30	7.78	-66.74
CC(C)C(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526099	0	56	0.0	-74.56	416.26	8.38	-66.18
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012526100	0	60	0.0	-76.55	459.33	10.85	-65.70
CCC(C)C(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526101	0	59	0.0	-74.99	430.72	8.71	-66.28
CC1CC(C)C[NH+](CCCCNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012526102	0	57	0.0	-85.43	411.24	10.95	-74.48
CCCC(C)(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526103	0	59	0.0	-75.37	426.77	8.89	-66.48
CC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526104	0	56	0.0	-62.81	409.19	9.86	-52.95
CC1CC(C)C[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012526105	0	54	0.0	-63.34	402.37	10.10	-53.24
C=CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526106	0	54	0.0	-61.83	411.88	10.14	-51.69
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526107	0	59	0.0	-61.93	435.22	10.86	-51.07
CC1CC(C)C[NH+](CCCCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012526108	0	61	0.0	-84.93	448.87	12.82	-72.11
CC1CC(C)C[NH+](CCCCNC(=O)NC(C)(C)C(=O)[O-])C1	REAL300012526109	0	53	0.0	-64.07	391.88	7.15	-56.92
CC1CC(C)C[NH+](CCCCNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012526110	0	57	0.0	-76.91	414.77	8.90	-68.01
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012526111	0	54	0.0	-74.65	428.67	9.00	-65.65
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012526112	0	60	0.0	-78.94	430.69	9.99	-68.95
CC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526113	0	56	0.0	-62.81	409.19	9.86	-52.95
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526114	0	56	0.0	-61.99	420.56	10.34	-51.65
CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526115	0	53	0.0	-74.72	399.07	9.58	-65.14
CC[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526116	0	59	0.0	-76.08	432.39	8.73	-67.35
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012526117	0	57	0.0	-79.06	416.18	8.89	-70.17
CC1CC(C)C[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012526118	0	60	0.0	-59.98	464.48	12.65	-47.33
CCC(C)(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526119	0	56	0.0	-75.02	405.27	8.14	-66.88
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012526120	0	61	0.0	-78.59	455.27	11.02	-67.57
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012526121	0	57	0.0	-76.97	448.16	10.00	-66.97
CC1CC(C)C[NH+](CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012526122	0	60	0.0	-77.31	445.09	10.62	-66.69
CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526123	0	53	0.0	-74.72	399.07	9.58	-65.14
CCCCCCC(C)(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526124	0	68	0.0	-75.49	491.27	11.23	-64.26
CC1CC(C)C[NH+](CCCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012526125	0	63	0.0	-74.00	468.14	12.71	-61.29
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC2)C1	REAL300012526126	0	51	0.0	-80.78	385.46	7.96	-72.82
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012526127	0	57	0.0	-72.61	453.40	10.39	-62.22
CC1CC(C)C[NH+](CCCCNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012526128	0	55	0.0	-81.75	402.43	8.28	-73.47
CC1CC(C)C[NH+](CCCCNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012526129	0	63	0.0	-80.46	439.93	11.29	-69.17
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012526130	0	54	0.0	-75.81	405.37	8.25	-67.56
CC1CC(C)C[NH+](CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012526131	0	63	0.0	-63.06	480.47	13.36	-49.70
CC1CC(C)C[NH+](CCCCNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012526132	0	60	0.0	-75.06	448.43	11.72	-63.34
COCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526133	0	57	0.0	-62.72	430.44	8.76	-53.96
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012526134	0	61	0.0	-82.00	452.34	10.97	-71.03
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012526135	0	54	0.0	-81.43	393.94	9.38	-72.05
CC1CC(C)C[NH+](CCCCNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012526136	0	57	0.0	-83.69	404.05	10.70	-72.99
C[C@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526137	0	53	0.0	-70.82	392.16	8.83	-61.99
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012526138	0	54	0.0	-81.51	399.92	9.68	-71.83
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012526139	0	54	0.0	-80.03	402.40	8.47	-71.56
C=CCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526140	0	54	0.0	-74.72	414.45	8.21	-66.51
CC1CC(C)C[NH+](CCCCNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012526141	0	57	0.0	-81.25	417.01	10.23	-71.02
CC1CC(C)C[NH+](CCCCNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012526142	0	60	0.0	-82.93	424.25	11.24	-71.69
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012526143	0	54	0.0	-75.81	405.37	8.25	-67.56
CC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526144	0	53	0.0	-71.26	391.23	8.83	-62.43
CCCCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526145	0	59	0.0	-74.38	443.30	9.33	-65.05
CC1CC(C)C[NH+](CCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012526146	0	63	0.0	-63.06	480.47	13.36	-49.70
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012526147	0	57	0.0	-81.18	417.06	10.21	-70.97
CC1CC(C)C[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012526148	0	60	0.0	-61.43	435.43	11.15	-50.28
COCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526149	0	54	0.0	-76.64	412.99	6.00	-70.64
CCCCCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526150	0	62	0.0	-74.32	464.80	10.11	-64.21
CCC1CCC(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)(C(=O)[O-])CC1	REAL300012526151	0	66	0.0	-78.77	469.76	11.23	-67.54
CC1CC(C)C[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012526152	0	61	0.0	-61.95	443.85	9.48	-52.47
CC1CC(C)C[NH+](CCCCNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012526153	0	60	0.0	-81.75	426.62	10.58	-71.17
CC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CC(C)CC(C)C1)C1CC1	REAL300012526154	0	57	0.0	-64.13	417.49	10.29	-53.84
CCC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CC(C)CC(C)C1)C1CC1	REAL300012526155	0	60	0.0	-74.20	433.11	11.33	-62.87
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012526156	0	57	0.0	-78.51	449.27	10.28	-68.23
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012526157	0	57	0.0	-82.46	441.72	9.93	-72.53
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012526158	0	61	0.0	-64.75	452.25	12.27	-52.48
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012526159	0	66	0.0	-75.85	481.53	10.98	-64.87
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526160	0	63	0.0	-60.59	470.03	13.16	-47.43
CC1=CC=C(C(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])C=C1	REAL300012526161	0	60	0.0	-77.10	458.72	10.52	-66.58
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012526162	0	53	0.0	-68.98	416.23	8.49	-60.49
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012526163	0	58	0.0	-74.99	428.39	9.67	-65.32
COCC(C)(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526164	0	57	0.0	-79.35	423.52	7.42	-71.93
CCOCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526165	0	60	0.0	-72.40	443.77	9.25	-63.15
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526166	0	59	0.0	-61.93	435.22	10.86	-51.07
CC1CC(C)C[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012526167	0	54	0.0	-63.34	402.37	10.10	-53.24
CC1CC(C)C[NH+](CCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012526168	0	56	0.0	-61.57	438.70	10.72	-50.85
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012526169	0	55	0.0	-74.86	406.82	6.28	-68.58
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012526170	0	63	0.0	-77.54	454.88	9.98	-67.56
CC1CC(C)C[NH+](CCCCNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012526171	0	64	0.0	-73.64	469.88	10.54	-63.10
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012526172	0	58	0.0	-77.99	422.12	7.48	-70.51
C=CCCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526173	0	57	0.0	-74.06	434.61	9.11	-64.95
CC1CC(C)C[NH+](CCCCNC(=O)NC(CF)C(=O)[O-])C1	REAL300012526174	0	50	0.0	-63.48	382.93	6.76	-56.72
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526175	0	63	0.0	-56.44	467.43	13.58	-42.86
CC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526176	0	53	0.0	-71.26	391.23	8.83	-62.43
CCC(CC)(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526177	0	59	0.0	-76.25	421.95	9.04	-67.21
COC1=CC=C(C(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])C=C1	REAL300012526178	0	61	0.0	-76.56	466.76	9.14	-67.42
CCC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526179	0	59	0.0	-60.08	432.39	11.03	-49.05
CCC(COC)(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526180	0	60	0.0	-80.67	440.19	8.34	-72.33
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526181	0	63	0.0	-73.11	463.54	9.90	-63.21
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012526182	0	57	0.0	-74.29	431.93	9.34	-64.95
COCCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526183	0	57	0.0	-74.53	433.97	6.84	-67.69
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526184	0	62	0.0	-72.24	449.41	11.10	-61.14
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012526185	0	53	0.0	-73.80	412.65	8.07	-65.73
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526186	0	63	0.0	-83.87	451.69	12.18	-71.69
CCCN(C(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(C)C(=O)[O-]	REAL300012526187	0	59	0.0	-57.46	431.60	11.16	-46.30
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526188	0	63	0.0	-76.70	468.93	13.33	-63.37
CCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012526189	0	63	0.0	-78.35	462.07	11.52	-66.83
COC1CCCC(C(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])C1	REAL300012526190	0	67	0.0	-80.40	486.68	9.05	-71.35
CC1CC(C)C[NH+](CCCCNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012526191	0	53	0.0	-73.15	406.89	7.92	-65.23
COC1(CC(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])CCC1	REAL300012526192	0	64	0.0	-77.14	472.64	8.84	-68.30
CC1CC(C)C[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012526193	0	61	0.0	-61.95	443.85	9.48	-52.47
CC1CC(C)C[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012526194	0	63	0.0	-61.90	452.81	11.87	-50.03
CC1CC(C)C[NH+](CCCCNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)C1	REAL300012526195	0	63	0.0	-79.15	444.47	10.35	-68.80
COC1=CC=CC(C(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])=C1	REAL300012526196	0	61	0.0	-79.21	466.77	9.13	-70.08
CC1CC(C)C[NH+](CCCCNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012526197	0	56	0.0	-72.01	411.87	8.29	-63.72
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012526198	0	58	0.0	-66.54	434.09	10.33	-56.21
CC1CC(C)C[NH+](CCCCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012526199	0	54	0.0	-75.11	413.67	9.53	-65.58
COC1=CC=CC([C@H](NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])=C1	REAL300012526200	0	61	0.0	-78.71	466.21	9.16	-69.55
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526201	0	53	0.0	-71.25	391.23	8.83	-62.42
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCC[NH+]2CC(C)CC(C)C2)C1	REAL300012526202	0	63	0.0	-83.38	465.96	11.55	-71.83
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012526203	0	66	0.0	-80.18	458.61	10.86	-69.32
CC1CC(C)C[NH+](CCCCNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012526204	0	55	0.0	-86.97	407.24	10.32	-76.65
COC1CN(C(=O)NCCCC[NH+]2CC(C)CC(C)C2)C(C)(C(=O)[O-])C1	REAL300012526205	0	61	0.0	-81.43	450.30	9.21	-72.22
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012526206	0	64	0.0	-75.29	472.55	8.60	-66.69
CC1CC(C)C[NH+](CCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012526207	0	59	0.0	-75.13	430.35	8.89	-66.24
C=C(Cl)CC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526208	0	54	0.0	-75.66	430.40	8.82	-66.84
C=C(C)CC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526209	0	57	0.0	-75.17	435.02	8.97	-66.20
CC1CC(C)C[NH+](CCCCNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012526210	0	58	0.0	-88.89	421.68	11.13	-77.76
CC1CC(C)C[NH+](CCCCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012526211	0	54	0.0	-75.01	413.68	9.53	-65.48
CC1CC(C)C[NH+](CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012526212	0	54	0.0	-79.16	407.16	9.47	-69.69
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CC(C)CC(C)C2)C1	REAL300012526213	0	55	0.0	-81.69	414.16	9.74	-71.95
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012526214	0	64	0.0	-75.91	471.76	8.60	-67.31
CC(C)C[C@H](NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526215	0	59	0.0	-75.07	439.61	9.14	-65.93
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012526216	0	61	0.0	-78.79	445.63	7.56	-71.23
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012526217	0	57	0.0	-76.92	437.26	9.84	-67.08
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012526218	0	57	0.0	-74.29	431.93	9.34	-64.95
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012526219	0	56	0.0	-73.32	445.27	7.96	-65.36
CC(C)CCCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526220	0	65	0.0	-74.39	482.37	10.61	-63.78
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012526221	0	61	0.0	-79.82	457.33	8.16	-71.66
CSCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526222	0	54	0.0	-72.84	424.60	8.18	-64.66
COC[C@H](NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526223	0	54	0.0	-76.63	413.01	6.01	-70.62
CC[C@H](NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526224	0	53	0.0	-75.13	401.15	7.78	-67.35
CC1CC(C)C[NH+](CCCCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012526225	0	60	0.0	-74.68	465.98	10.86	-63.82
CCC(C)CC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526226	0	62	0.0	-74.76	457.23	9.74	-65.02
C=CCCCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526227	0	60	0.0	-74.63	456.94	9.87	-64.76
CC1CC(C)C[NH+](CCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012526228	0	60	0.0	-73.88	465.08	10.86	-63.02
CC1CC(C)C[NH+](CCCCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012526229	0	55	0.0	-82.31	411.06	10.81	-71.50
CC1CC(C)C[NH+](CCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012526230	0	60	0.0	-77.31	445.09	10.62	-66.69
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012526231	0	54	0.0	-81.43	393.94	9.38	-72.05
CCCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526232	0	56	0.0	-75.07	422.63	8.53	-66.54
CC(C)[C@@H](NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526233	0	56	0.0	-74.90	412.58	8.18	-66.72
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012526234	0	58	0.0	-87.44	414.83	11.23	-76.21
CCN(C(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(C)(C)C(=O)[O-]	REAL300012526235	0	59	0.0	-78.48	425.86	10.56	-67.92
CCCN(C(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(C)C(=O)[O-]	REAL300012526236	0	59	0.0	-57.46	431.60	11.16	-46.30
CC1CC(C)C[NH+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012526237	0	53	0.0	-70.41	413.69	10.09	-60.32
CC1CC(C)C[NH+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012526238	0	53	0.0	-70.41	413.69	10.09	-60.32
CC1CC(C)C[NH+](CCCCNC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012526239	0	56	0.0	-78.48	406.37	9.66	-68.82
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012526240	0	54	0.0	-81.51	399.92	9.68	-71.83
CC1CC(C)C[NH+](CCCCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012526241	0	66	0.0	-62.66	487.43	8.06	-54.60
CC1CC(C)C[NH+](CCCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012526242	0	55	0.0	-83.60	411.93	5.99	-77.61
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526243	0	61	0.0	-60.24	455.69	12.61	-47.63
CCC[C@@H](NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526244	0	56	0.0	-75.20	422.65	8.54	-66.66
CC1CC(C)C[NH+](CCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012526245	0	57	0.0	-76.61	437.07	9.92	-66.69
CC1CC(C)C[NH+](CCCCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012526246	0	62	0.0	-76.92	477.42	9.80	-67.12
C=CCCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526247	0	57	0.0	-74.06	434.61	9.11	-64.95
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012526248	0	56	0.0	-78.28	446.09	7.79	-70.49
CC1CC(C)C[NH+](CCCCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012526249	0	57	0.0	-90.73	430.43	7.25	-83.48
CC1CC(C)C[NH+](CCCCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012526250	0	58	0.0	-76.24	428.17	8.93	-67.31
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012526251	0	57	0.0	-81.30	417.02	10.24	-71.06
CC(C)[C@H](NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526252	0	56	0.0	-75.48	413.83	8.09	-67.39
CC1CC(C)C[NH+](CCCCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012526253	0	57	0.0	-77.08	437.30	9.85	-67.23
CC1CC(C)C[NH+](CCCCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012526254	0	60	0.0	-78.57	446.77	9.17	-69.40
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526255	0	53	0.0	-71.25	391.23	8.83	-62.42
CCC[C@H](NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526256	0	56	0.0	-75.05	422.65	8.53	-66.52
CCN(C(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(C)C(=O)[O-]	REAL300012526257	0	56	0.0	-76.36	411.91	10.29	-66.07
CC1CC(C)C[NH+](CCCCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012526258	0	60	0.0	-61.43	435.43	11.15	-50.28
CC(CN(C)C(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526259	0	56	0.0	-74.82	412.36	9.26	-65.56
CC[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526260	0	59	0.0	-76.08	432.39	8.73	-67.35
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526261	0	56	0.0	-71.76	411.56	9.91	-61.85
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012526262	0	58	0.0	-84.87	432.82	5.67	-79.20
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526263	0	66	0.0	-76.48	481.62	8.94	-67.54
CC1CCC(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)(C(=O)[O-])C1	REAL300012526264	0	60	0.0	-79.36	437.22	9.51	-69.85
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012526265	0	63	0.0	-80.25	445.09	10.13	-70.12
COCCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526266	0	57	0.0	-74.53	433.97	6.84	-67.69
CC1CC(C)C[NH+](CCCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012526267	0	63	0.0	-74.00	468.14	12.71	-61.29
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012526268	0	60	0.0	-80.72	438.48	10.18	-70.54
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012526269	0	57	0.0	-77.03	422.61	9.11	-67.92
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526270	0	66	0.0	-76.79	485.00	9.06	-67.73
CC1CC(C)C[NH+](CCCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012526271	0	55	0.0	-87.56	410.56	6.18	-81.38
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012526272	0	58	0.0	-72.85	433.87	6.91	-65.94
CC1CC(C)C[NH+](CCCCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012526273	0	58	0.0	-84.86	414.67	10.80	-74.06
CC1CC(C)C[NH+](CCCCNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012526274	0	56	0.0	-82.57	414.54	8.50	-74.07
CC1CCC(C(=O)[O-])N(C(=O)NCCCC[NH+]2CC(C)CC(C)C2)C1	REAL300012526275	0	60	0.0	-84.95	432.10	11.53	-73.42
CC(C1=CC=CC=C1)C(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526276	0	63	0.0	-76.58	466.94	10.85	-65.73
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012526277	0	64	0.0	-75.22	469.36	11.58	-63.64
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012526278	0	57	0.0	-76.35	421.27	8.66	-67.69
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012526279	0	63	0.0	-77.54	454.88	9.98	-67.56
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012526280	0	57	0.0	-76.35	421.27	8.66	-67.69
CC1CCN(C(=O)NCCCC[NH+]2CC(C)CC(C)C2)C1C(=O)[O-]	REAL300012526281	0	57	0.0	-82.44	416.09	9.84	-72.60
C=CCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526282	0	54	0.0	-74.72	414.45	8.21	-66.51
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012526283	0	64	0.0	-78.89	475.36	8.95	-69.94
CC1CC(C)C[NH+](CCCCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012526284	0	64	0.0	-57.95	446.44	11.45	-46.50
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012526285	0	64	0.0	-79.00	451.19	8.79	-70.21
CC1CC(C)C[NH+](CCCCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012526286	0	58	0.0	-59.27	416.18	10.71	-48.56
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012526287	0	64	0.0	-75.22	469.36	11.58	-63.64
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012526288	0	60	0.0	-78.21	465.98	10.86	-67.35
COC1CC(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)(C(=O)[O-])C1	REAL300012526289	0	58	0.0	-82.20	435.74	7.45	-74.75
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012526290	0	54	0.0	-77.94	410.73	8.51	-69.43
CO[C@H]1C[C@](NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)(C(=O)[O-])C1	REAL300012526291	0	58	0.0	-76.15	433.45	7.32	-68.83
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012526292	0	57	0.0	-77.67	441.27	9.52	-68.15
CCC1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526293	0	60	0.0	-82.09	432.81	11.38	-70.71
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012526294	0	53	0.0	-68.98	416.23	8.49	-60.49
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012526295	0	61	0.0	-77.48	454.94	7.78	-69.70
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012526296	0	52	0.0	-73.77	393.10	5.52	-68.25
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012526297	0	57	0.0	-75.77	450.60	9.86	-65.91
CC(C)C(C)(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526298	0	59	0.0	-75.71	420.20	8.77	-66.94
CC1CC(C)C[NH+](CCCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012526299	0	55	0.0	-84.75	405.98	10.81	-73.94
CC1CC(C)C[NH+](CCCCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012526300	0	58	0.0	-83.96	422.89	10.21	-73.75
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526301	0	63	0.0	-76.70	468.93	13.33	-63.37
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012526302	0	66	0.0	-75.85	481.53	10.98	-64.87
CC1CC(C)C[NH+](CCCCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012526303	0	63	0.0	-75.50	481.71	11.57	-63.93
CC1CC(C)C[NH+](CCCCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012526304	0	63	0.0	-76.25	482.54	11.57	-64.68
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012526305	0	64	0.0	-78.08	463.42	10.42	-67.66
CC1CC(C)C[NH+](CCCCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012526306	0	66	0.0	-75.92	481.50	10.98	-64.94
CC1CC(C)C[NH+](CCCCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012526307	0	66	0.0	-75.40	481.28	11.05	-64.35
CC1CC(C)C[NH+](CCCCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012526308	0	64	0.0	-59.39	462.57	11.60	-47.79
CC1CC(C)C[NH+](CCCCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012526309	0	64	0.0	-83.74	457.39	11.45	-72.29
C=CCSCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526310	0	58	0.0	-72.18	458.20	9.67	-62.51
CCC(C(=O)[O-])N(CC)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526311	0	59	0.0	-77.53	427.86	11.24	-66.29
COC1(C(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)C(=O)[O-])CCC1	REAL300012526312	0	61	0.0	-72.39	448.73	7.44	-64.95
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012526313	0	57	0.0	-75.42	436.24	9.38	-66.04
CC1CC(C)C[NH+](CCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012526315	0	54	0.0	-79.16	407.16	9.47	-69.69
CC1CC(C)C[NH+](CCCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012526316	0	56	0.0	-59.65	416.01	10.50	-49.15
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012526317	0	60	0.0	-83.46	436.05	10.33	-73.13
CC1CC(C)C[NH+](CCCCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012526318	0	64	0.0	-84.26	456.44	12.36	-71.90
CC(C)CCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526319	0	62	0.0	-74.58	460.87	9.84	-64.74
CC1CC(C)C[NH+](CCCCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012526320	0	61	0.0	-59.30	446.82	11.17	-48.13
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012526321	0	61	0.0	-77.48	454.94	7.78	-69.70
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CC(C)CC(C)C2)C1	REAL300012526322	0	58	0.0	-79.36	443.21	10.87	-68.49
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012526323	0	61	0.0	-78.87	439.23	10.36	-68.51
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012526324	0	58	0.0	-80.63	423.63	9.71	-70.92
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012526325	0	61	0.0	-79.06	444.93	10.10	-68.96
CC1CC(C)C[NH+](CCCCNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012526326	0	63	0.0	-73.92	468.17	12.71	-61.21
CC1CC(C)C[NH+](CCCCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012526327	0	67	0.0	-59.12	475.87	12.15	-46.97
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012526328	0	60	0.0	-76.07	437.30	9.36	-66.71
CO[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526329	0	57	0.0	-76.06	430.69	7.01	-69.05
CC1[C@@H](C)[C@@]1(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526330	0	57	0.0	-82.06	424.17	9.51	-72.55
CC1CC(C)C[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012526331	0	60	0.0	-62.32	458.07	12.58	-49.74
CC1CC(C)C[NH+](CCCCNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012526332	0	60	0.0	-59.54	439.77	10.48	-49.06
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012526333	0	57	0.0	-81.61	422.12	10.84	-70.77
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012526334	0	54	0.0	-84.46	411.61	9.82	-74.64
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012526335	0	60	0.0	-78.21	465.98	10.86	-67.35
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012526336	0	57	0.0	-74.89	450.17	9.78	-65.11
CC1CC(C)C[NH+](CCCCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012526337	0	57	0.0	-73.99	429.08	10.35	-63.64
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012526338	0	57	0.0	-74.89	450.17	9.78	-65.11
CC1CC(C)C[NH+](CCCCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012526339	0	61	0.0	-83.96	431.17	11.02	-72.94
COCCCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526340	0	60	0.0	-74.00	455.47	7.62	-66.38
CCCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526341	0	59	0.0	-72.15	433.05	10.53	-61.62
CCOCC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012526342	0	57	0.0	-76.63	434.36	6.97	-69.66
CC1CC(C)C[NH+](CCCCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012526343	0	62	0.0	-75.83	451.97	10.18	-65.65
CC1CC(C)C[NH+](CCCCNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012526344	0	61	0.0	-77.80	451.89	8.32	-69.48
CC1CC(C)C[NH+](CCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012526345	0	61	0.0	-78.59	455.27	11.02	-67.57
CC1CC(C)C[NH+](CCCCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012526346	0	58	0.0	-81.83	421.93	8.93	-72.90
CC1CC(C)C[NH+](CCCCNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012526347	0	54	0.0	-75.97	421.98	8.27	-67.70
CC1CC(C)C[NH+](CCCCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012526348	0	57	0.0	-63.25	439.73	10.72	-52.53
C[C@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300012526349	0	53	0.0	-70.82	392.16	8.83	-61.99
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CC(C)CC(C)C2)C1	REAL300012526350	0	61	0.0	-82.28	455.76	9.35	-72.93
O=C([O-])C1CCCN1C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526565	1	53	0.0	-76.42	415.09	11.79	-64.63
O=C([O-])C1CCCN1C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526565	1	53	0.0	-72.52	415.05	11.80	-60.72
O=C([O-])CNC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526566	1	46	0.0	-61.38	373.23	8.00	-53.38
O=C([O-])CNC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526566	1	46	0.0	-62.45	374.53	8.06	-54.39
CCC(NC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526567	1	52	0.0	-66.13	415.60	9.92	-56.21
CCC(NC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526567	1	52	0.0	-69.95	413.68	10.76	-59.19
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526568	1	49	0.0	-71.13	393.31	10.73	-60.40
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526568	1	49	0.0	-67.14	389.20	11.56	-55.58
CC(NC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526569	1	49	0.0	-62.51	393.85	8.86	-53.65
CC(NC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526569	1	49	0.0	-63.85	394.77	8.84	-55.01
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526570	1	49	0.0	-71.13	393.31	10.73	-60.40
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526570	1	49	0.0	-67.14	389.20	11.56	-55.58
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1)C1CC1	REAL300012526571	1	53	0.0	-54.95	418.84	12.24	-42.71
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1)C1CC1	REAL300012526571	1	53	0.0	-54.65	417.68	12.22	-42.43
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526572	1	53	0.0	-58.11	426.59	12.23	-45.88
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526572	1	53	0.0	-53.02	427.02	12.25	-40.77
CC(C)(NC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526573	1	52	0.0	-61.76	407.12	9.26	-52.50
CC(C)(NC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526573	1	52	0.0	-61.79	407.03	9.27	-52.52
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526574	1	52	0.0	-70.35	415.03	11.75	-58.60
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526574	1	52	0.0	-68.15	415.08	11.72	-56.43
C[C@H](NC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526575	1	49	0.0	-63.26	394.39	8.87	-54.39
C[C@H](NC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526575	1	49	0.0	-60.04	391.68	9.76	-50.28
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526576	1	52	0.0	-70.35	415.03	11.75	-58.60
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526576	1	52	0.0	-68.15	415.08	11.72	-56.43
C[C@@H](NC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526577	1	49	0.0	-63.58	395.36	8.88	-54.70
C[C@@H](NC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526577	1	49	0.0	-63.84	394.77	8.84	-55.00
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[N@@H+]2CCC3=C(C=CS3)C2)CC1	REAL300012526578	1	50	0.0	-75.09	398.90	11.05	-64.04
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[N@H+]2CCC3=C(C=CS3)C2)CC1	REAL300012526578	1	50	0.0	-74.60	400.60	10.09	-64.51
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1)C1CC1	REAL300012526579	1	53	0.0	-67.88	422.22	10.35	-57.53
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1)C1CC1	REAL300012526579	1	53	0.0	-72.22	426.90	10.46	-61.76
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526580	1	53	0.0	-77.24	416.74	11.49	-65.75
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526580	1	53	0.0	-76.08	414.95	12.40	-63.68
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526581	1	52	0.0	-68.11	407.71	10.86	-57.25
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526581	1	52	0.0	-64.13	403.54	11.67	-52.46
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526582	1	53	0.0	-73.35	413.34	12.76	-60.59
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526582	1	53	0.0	-71.55	415.52	11.48	-60.07
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[N@@H+]2CCC3=C(C=CS3)C2)CCC1	REAL300012526583	1	53	0.0	-74.81	418.06	10.62	-64.19
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[N@H+]2CCC3=C(C=CS3)C2)CCC1	REAL300012526583	1	53	0.0	-74.49	417.41	10.60	-63.89
C=CCC(NC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526584	1	53	0.0	-66.42	429.12	10.31	-56.11
C=CCC(NC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526584	1	53	0.0	-66.93	426.71	11.27	-55.66
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1)C1CC1	REAL300012526585	1	53	0.0	-67.88	422.22	10.35	-57.53
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1)C1CC1	REAL300012526585	1	53	0.0	-72.22	426.90	10.46	-61.76
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526586	1	52	0.0	-65.23	407.43	10.93	-54.30
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526586	1	52	0.0	-68.22	408.16	10.97	-57.25
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1)C1CC1	REAL300012526587	1	53	0.0	-54.95	418.84	12.24	-42.71
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1)C1CC1	REAL300012526587	1	53	0.0	-54.65	417.68	12.22	-42.43
O=C([O-])C(CF)NC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526588	1	49	0.0	-58.44	397.63	8.85	-49.59
O=C([O-])C(CF)NC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526588	1	49	0.0	-57.70	395.78	9.72	-47.98
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526589	1	52	0.0	-65.23	407.43	10.93	-54.30
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526589	1	52	0.0	-68.22	408.16	10.97	-57.25
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526590	1	52	0.0	-65.87	407.28	10.96	-54.91
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526590	1	52	0.0	-65.94	403.17	11.79	-54.15
CC[C@H](NC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526591	1	52	0.0	-71.73	416.41	9.88	-61.85
CC[C@H](NC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526591	1	52	0.0	-71.93	417.15	9.92	-62.01
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526592	1	53	0.0	-77.24	416.74	11.49	-65.75
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526592	1	53	0.0	-76.08	414.95	12.40	-63.68
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526593	1	53	0.0	-73.35	413.34	12.76	-60.59
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526593	1	53	0.0	-71.55	415.52	11.48	-60.07
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526594	1	52	0.0	-65.87	407.28	10.96	-54.91
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526594	1	52	0.0	-65.94	403.17	11.79	-54.15
C=CCC(NC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526595	1	53	0.0	-66.42	429.12	10.31	-56.11
C=CCC(NC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012526595	1	53	0.0	-66.93	426.71	11.27	-55.66
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012526596	1	52	0.0	-68.11	407.71	10.86	-57.25
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012526596	1	52	0.0	-64.13	403.54	11.67	-52.46
CC(C)OC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012527429	0	59	0.0	-63.34	460.21	5.96	-57.38
CC(C)OC1=NC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012527738	0	59	0.0	-64.59	459.20	6.03	-58.56
CC(C)C[C@H](NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528361	1	59	0.0	-72.75	434.19	7.84	-64.91
C=CCOCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528362	1	58	0.0	-71.22	441.63	6.31	-64.91
C=CC(C)C(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528363	1	57	0.0	-72.77	420.30	7.45	-65.32
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528364	1	60	0.0	-78.95	423.57	9.82	-69.13
CCCN(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528365	1	56	0.0	-51.30	414.93	9.10	-42.20
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528366	1	60	0.0	-59.77	426.92	9.38	-50.39
CCCN(C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(CC)C(=O)[O-]	REAL300012528367	1	62	0.0	-74.99	443.28	10.70	-64.29
CC(C)C(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528368	1	56	0.0	-71.54	410.62	7.15	-64.39
CC(CNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528369	1	57	0.0	-80.07	409.98	9.77	-70.30
CC(CNC(=O)N1CCSCC1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528370	1	55	0.0	-77.82	409.63	9.55	-68.27
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528371	1	60	0.0	-76.54	425.02	8.75	-67.79
CC(CNC(=O)N1CCCC1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528372	1	54	0.0	-76.41	394.53	8.49	-67.92
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528373	1	57	0.0	-73.73	410.20	7.65	-66.08
CC(CNC(=O)NCC(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528374	1	47	0.0	-61.96	352.87	4.68	-57.28
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528375	1	57	0.0	-72.95	431.51	8.58	-64.37
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528376	1	57	0.0	-71.15	431.03	8.64	-62.51
CCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528377	1	53	0.0	-70.28	394.67	6.55	-63.73
CC(C)C(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528378	1	56	0.0	-71.54	410.62	7.15	-64.39
CC(CNC(=O)N(C)CC(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528379	1	50	0.0	-71.99	371.62	7.37	-64.62
CC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528380	1	50	0.0	-62.32	373.66	5.52	-56.80
CCC(C)C(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528381	1	59	0.0	-70.35	425.08	7.47	-62.88
CC(CNC(=O)N(C)CC(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528382	1	50	0.0	-71.99	371.62	7.37	-64.62
CC(CNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528383	1	57	0.0	-80.07	409.98	9.77	-70.30
CCCC(C)(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528384	1	59	0.0	-70.26	421.13	7.67	-62.59
CC(C)N(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528385	1	56	0.0	-71.79	404.08	9.37	-62.42
CC(CNC(=O)N(CC(=O)[O-])C1CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528386	1	54	0.0	-55.98	400.74	8.91	-47.07
C=CCN(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528387	1	54	0.0	-51.16	406.24	8.91	-42.25
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528388	1	59	0.0	-51.19	429.59	9.62	-41.57
CC(CNC(=O)NC(C)(C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528389	1	53	0.0	-61.00	386.24	5.91	-55.09
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528390	1	57	0.0	-70.70	409.22	7.70	-63.00
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528391	1	60	0.0	-76.54	425.02	8.75	-67.79
CC(C)N(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528392	1	56	0.0	-71.79	404.08	9.37	-62.42
CCCN(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528393	1	56	0.0	-51.30	414.93	9.10	-42.20
CCN(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528394	1	53	0.0	-72.29	393.43	8.35	-63.94
CC[C@H](C)[C@H](NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528395	1	59	0.0	-72.36	426.01	7.54	-64.82
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528396	1	57	0.0	-73.73	410.20	7.65	-66.08
CCC(C)(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528397	1	56	0.0	-70.11	399.64	6.91	-63.20
CC(CNC(=O)N[C@@H](C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528398	1	50	0.0	-61.96	373.34	5.50	-56.46
CCN(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528399	1	53	0.0	-72.29	393.43	8.35	-63.94
CC(CNC(=O)N[C@H](C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528400	1	50	0.0	-62.66	373.98	5.48	-57.18
CC(CNC(=O)NC1(C(=O)[O-])CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528401	1	51	0.0	-76.18	380.11	6.76	-69.42
CC(CNC(=O)N1CCOCC1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528402	1	55	0.0	-79.38	396.70	7.06	-72.32
CC(CNC(=O)NC(C(=O)[O-])C1CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528403	1	54	0.0	-71.22	405.09	7.05	-64.17
COCCN(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528404	1	57	0.0	-51.82	424.80	7.53	-44.29
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528405	1	54	0.0	-77.54	399.20	8.14	-69.40
CC(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528406	1	57	0.0	-82.28	405.10	9.56	-72.72
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528407	1	53	0.0	-68.02	385.46	7.44	-60.58
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528408	1	54	0.0	-77.20	398.68	8.49	-68.71
CC(CNC(=O)NC1(C(=O)[O-])CCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528409	1	54	0.0	-74.99	397.01	7.27	-67.72
C=CCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528410	1	54	0.0	-69.53	407.98	6.99	-62.54
CC(CNC(=O)N1CCCC1(C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528411	1	57	0.0	-79.00	411.57	9.04	-69.96
CC(CNC(=O)N1CCCCCC1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528412	1	60	0.0	-76.70	422.45	10.00	-66.70
CC(CNC(=O)NC(C(=O)[O-])C1CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528413	1	54	0.0	-71.22	405.09	7.05	-64.17
CC(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528414	1	53	0.0	-67.85	385.45	7.54	-60.31
CCCCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528415	1	59	0.0	-70.17	437.67	8.09	-62.08
CC(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528416	1	57	0.0	-78.79	411.34	8.98	-69.81
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528417	1	60	0.0	-50.63	429.77	9.92	-40.71
COCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528418	1	54	0.0	-72.06	407.36	4.77	-67.29
CCCCCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528419	1	62	0.0	-70.13	459.16	8.87	-61.26
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528420	1	60	0.0	-77.24	420.96	9.34	-67.90
CC(CNC(=O)N(C(C)C(=O)[O-])C1CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528421	1	57	0.0	-61.26	415.90	8.88	-52.38
CCC(C(=O)[O-])N(C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012528422	1	60	0.0	-60.95	437.08	10.11	-50.84
COCC(C)(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528423	1	57	0.0	-74.79	417.88	6.20	-68.59
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528424	1	60	0.0	-68.57	437.66	7.92	-60.65
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528425	1	59	0.0	-51.19	429.59	9.62	-41.57
CC(CNC(=O)N(CC(=O)[O-])C1CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528426	1	54	0.0	-55.98	400.74	8.91	-47.07
CC(CNC(=O)NC1(C(=O)[O-])CCOC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528427	1	55	0.0	-70.26	400.98	5.00	-65.26
CC(CNC(=O)NC1(C(=O)[O-])CCOCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528428	1	58	0.0	-73.34	416.71	6.29	-67.05
C=CCCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528429	1	57	0.0	-69.90	428.98	7.87	-62.03
CC(CNC(=O)NC(CF)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528430	1	50	0.0	-59.67	377.12	5.55	-54.12
CC(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528431	1	53	0.0	-67.85	385.45	7.54	-60.31
CCC(CC)(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528432	1	59	0.0	-73.23	416.02	7.80	-65.43
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528433	1	59	0.0	-49.85	425.93	9.93	-39.92
CCC(COC)(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528434	1	60	0.0	-76.21	434.55	7.10	-69.11
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528435	1	57	0.0	-71.28	431.30	8.20	-63.08
COCCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528436	1	57	0.0	-71.37	429.18	5.60	-65.77
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528437	1	62	0.0	-70.32	444.17	10.07	-60.25
CC(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528438	1	53	0.0	-70.81	407.01	6.83	-63.98
CCCN(C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012528439	1	59	0.0	-40.19	426.05	9.94	-30.25
CC(CNC(=O)NC(CCF)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528440	1	53	0.0	-70.37	402.09	6.67	-63.70
CC(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528441	1	56	0.0	-67.44	406.23	7.05	-60.39
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528442	1	54	0.0	-71.37	412.15	8.30	-63.07
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528443	1	53	0.0	-67.45	385.42	7.56	-59.89
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528444	1	55	0.0	-82.31	405.90	9.12	-73.19
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528445	1	59	0.0	-73.61	426.29	7.65	-65.96
C=C(Cl)CC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528446	1	54	0.0	-71.53	423.93	7.61	-63.92
C=C(C)CC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528447	1	57	0.0	-70.23	428.55	7.76	-62.47
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528448	1	58	0.0	-87.52	416.05	9.89	-77.63
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528449	1	54	0.0	-71.02	412.16	8.35	-62.67
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528450	1	54	0.0	-74.30	401.00	8.58	-65.72
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300012528451	1	55	0.0	-77.50	408.32	8.46	-69.04
CC(C)C[C@H](NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528452	1	59	0.0	-72.75	434.19	7.84	-64.91
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528453	1	57	0.0	-71.15	431.03	8.64	-62.51
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528454	1	57	0.0	-71.28	431.30	8.20	-63.08
CSCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528455	1	54	0.0	-68.05	418.98	6.95	-61.10
COC[C@H](NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528456	1	54	0.0	-71.82	407.18	4.73	-67.09
CC[C@H](NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528457	1	53	0.0	-71.66	394.67	6.57	-65.09
CCC(C)CC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528458	1	62	0.0	-70.42	451.60	8.51	-61.91
C=CCCCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528459	1	60	0.0	-70.48	451.31	8.64	-61.84
CC(CNC(=O)N1CCSCC1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528460	1	55	0.0	-77.82	409.63	9.55	-68.27
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528461	1	54	0.0	-77.54	399.20	8.14	-69.40
CCCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528462	1	56	0.0	-71.13	417.00	7.30	-63.83
CC(C)[C@@H](NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528463	1	56	0.0	-73.04	412.37	7.08	-65.96
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528464	1	58	0.0	-84.83	415.62	10.06	-74.77
CCN(C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012528465	1	59	0.0	-75.66	419.70	9.26	-66.40
CCCN(C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012528466	1	59	0.0	-40.19	426.05	9.94	-30.25
CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528467	1	56	0.0	-72.66	401.01	8.46	-64.20
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528468	1	54	0.0	-77.20	398.68	8.49	-68.71
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528469	1	55	0.0	-82.10	406.27	4.75	-77.35
CCC[C@@H](NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528470	1	56	0.0	-70.22	416.75	7.37	-62.85
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528471	1	57	0.0	-72.95	431.51	8.58	-64.37
C=CCCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528472	1	57	0.0	-69.90	428.98	7.87	-62.03
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528473	1	57	0.0	-76.42	415.45	9.00	-67.42
CC(C)[C@H](NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528474	1	56	0.0	-71.18	408.02	6.82	-64.36
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528475	1	57	0.0	-72.58	431.72	8.63	-63.95
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528476	1	53	0.0	-67.45	385.42	7.56	-59.89
CCC[C@H](NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528477	1	56	0.0	-71.62	416.16	7.31	-64.31
CCN(C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012528478	1	56	0.0	-73.77	407.00	9.05	-64.72
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528479	1	60	0.0	-50.63	429.77	9.92	-40.71
CC(CN(C)C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528480	1	56	0.0	-75.49	405.85	8.01	-67.48
CC[C@H](C)[C@H](NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528481	1	59	0.0	-72.36	426.01	7.54	-64.82
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528482	1	56	0.0	-69.04	406.46	8.57	-60.47
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528483	1	58	0.0	-79.28	431.32	4.43	-74.85
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528484	1	60	0.0	-76.66	431.40	8.24	-68.42
COCCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528485	1	57	0.0	-71.37	429.18	5.60	-65.77
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528486	1	60	0.0	-78.19	433.33	9.00	-69.19
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528487	1	57	0.0	-73.37	419.09	7.89	-65.48
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528488	1	55	0.0	-83.39	409.08	4.96	-78.43
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528489	1	58	0.0	-70.70	422.26	5.58	-65.12
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528490	1	58	0.0	-83.39	416.60	9.63	-73.76
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528491	1	56	0.0	-80.35	409.74	7.23	-73.12
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528492	1	60	0.0	-79.39	430.82	10.36	-69.03
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528493	1	57	0.0	-72.67	426.70	7.64	-65.03
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528494	1	57	0.0	-72.67	426.70	7.64	-65.03
CC(CNC(=O)N1CCC(C)C1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528495	1	57	0.0	-77.98	414.59	8.62	-69.36
C=CCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528496	1	54	0.0	-69.53	407.98	6.99	-62.54
CC(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528497	1	58	0.0	-54.51	422.87	9.28	-45.23
COC1CC(NC(=O)NCC(C)[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012528498	1	58	0.0	-78.00	434.56	6.26	-71.74
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528499	1	54	0.0	-76.29	405.06	7.28	-69.01
CO[C@H]1C[C@](NC(=O)NCC(C)[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012528500	1	58	0.0	-73.47	428.66	6.53	-66.94
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528501	1	60	0.0	-77.34	427.05	10.14	-67.20
CC(CNC(=O)NC1(C(=O)[O-])COC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528502	1	52	0.0	-69.74	391.60	4.30	-65.44
CC(C)C(C)(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528503	1	59	0.0	-72.64	414.56	7.54	-65.10
CC(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528504	1	55	0.0	-83.56	401.48	9.60	-73.96
CC(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528505	1	58	0.0	-79.81	417.69	9.00	-70.81
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528506	1	59	0.0	-75.11	422.85	9.96	-65.15
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528507	1	54	0.0	-74.30	401.00	8.58	-65.72
CC(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528508	1	56	0.0	-43.14	410.38	9.25	-33.89
CC(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528509	1	60	0.0	-80.88	430.40	9.09	-71.79
CC(C)CCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528510	1	62	0.0	-70.40	455.23	8.61	-61.79
CC(CNC(=O)NC1(C(=O)[O-])CCC2CC21)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528511	1	58	0.0	-76.03	417.83	8.44	-67.59
CC(CNC(=O)NC(C(=O)[O-])C1CCCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528512	1	60	0.0	-73.29	443.36	8.29	-65.00
CO[C@H](C)[C@H](NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528513	1	57	0.0	-72.47	425.01	5.78	-66.69
CC(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528514	1	57	0.0	-77.08	418.60	8.31	-68.77
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528515	1	60	0.0	-53.00	438.27	9.25	-43.75
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528516	1	54	0.0	-82.19	405.93	8.58	-73.61
COCCCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528517	1	60	0.0	-69.52	449.84	6.38	-63.14
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528518	1	59	0.0	-68.25	427.38	9.46	-58.79
CCOCC(NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528519	1	57	0.0	-72.27	429.21	5.75	-66.52
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528520	1	62	0.0	-72.84	445.42	8.97	-63.87
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528521	1	58	0.0	-80.35	417.10	8.03	-72.32
CC(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528522	1	54	0.0	-73.28	416.36	7.03	-66.25
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528523	1	53	0.0	-68.02	385.46	7.44	-60.58
O=C([O-])CNC(=O)NCC1=CC=[NH+]C(N2CCN(C3=CC=C(F)C=C3)CC2)=C1	REAL300012528524	1	50	0.0	-63.69	400.73	4.93	-58.76
O=C([O-])CNC(=O)NCC1=CC=CC=C1C[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528525	0	54	0.0	-58.05	413.84	8.59	-49.46
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528526	0	57	0.0	-58.59	430.82	11.16	-47.43
CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528527	0	57	0.0	-57.63	434.95	9.39	-48.24
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528528	0	57	0.0	-58.59	430.82	11.16	-47.43
C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528529	0	57	0.0	-60.22	434.46	9.46	-50.76
C[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528530	0	57	0.0	-57.66	434.95	9.40	-48.26
CC(C)C[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528531	1	56	0.0	-73.85	423.14	7.25	-66.60
C=CCOCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528532	1	55	0.0	-75.16	431.40	5.72	-69.44
C=CC(C)C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528533	1	54	0.0	-74.60	410.08	6.85	-67.75
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCOCC1	REAL300012528534	1	58	0.0	-74.27	433.34	6.01	-68.26
COC1CCN(C(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C(=O)[O-])C1	REAL300012528535	1	58	0.0	-83.02	425.45	7.95	-75.07
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCOC1	REAL300012528536	1	58	0.0	-72.53	429.16	5.83	-66.70
CC1CCN(C(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C(=O)[O-])C1	REAL300012528537	1	57	0.0	-83.32	416.28	9.75	-73.57
CCCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528538	1	53	0.0	-59.35	404.70	8.50	-50.85
CC(C(=O)[O-])N(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCC1	REAL300012528539	1	57	0.0	-63.26	417.04	8.80	-54.46
CCCN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(COC)C(=O)[O-]	REAL300012528540	1	60	0.0	-76.20	446.67	9.50	-66.70
CCCN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(CC)C(=O)[O-]	REAL300012528541	1	59	0.0	-75.30	433.47	10.13	-65.17
CC(C)C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528542	1	53	0.0	-74.76	397.96	6.26	-68.50
O=C([O-])C1CCCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528543	1	54	0.0	-83.00	394.85	9.06	-73.94
O=C([O-])C1CSCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528544	1	52	0.0	-80.57	394.93	8.87	-71.70
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCCC1	REAL300012528545	1	57	0.0	-76.96	414.28	8.10	-68.86
O=C([O-])C1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528546	1	51	0.0	-79.82	383.51	7.81	-72.01
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCC1	REAL300012528547	1	54	0.0	-76.99	399.77	7.01	-69.98
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCCCC1	REAL300012528548	1	60	0.0	-77.67	420.45	8.82	-68.85
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528549	1	57	0.0	-75.20	443.46	9.02	-66.18
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528550	1	57	0.0	-59.13	442.20	10.75	-48.38
O=C([O-])CNC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528551	1	44	0.0	-66.00	342.66	4.09	-61.91
O=C([O-])[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012528552	1	54	0.0	-75.21	421.45	8.01	-67.20
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012528553	1	54	0.0	-75.53	421.41	8.00	-67.53
CCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528554	1	50	0.0	-73.60	384.44	5.95	-67.65
CC(C)C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528555	1	53	0.0	-74.76	397.96	6.26	-68.50
CN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528556	1	47	0.0	-73.75	361.39	6.77	-66.98
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528557	1	57	0.0	-75.20	443.46	9.02	-66.18
CC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528558	1	47	0.0	-66.38	363.28	4.94	-61.44
CCC(C)C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528559	1	56	0.0	-73.86	414.86	6.88	-66.98
CN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528560	1	47	0.0	-73.75	361.39	6.77	-66.98
O=C([O-])C1CCCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528561	1	54	0.0	-83.00	394.85	9.06	-73.94
CCCC(C)(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528562	1	56	0.0	-73.33	410.91	7.07	-66.26
CC(C)N(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528563	1	53	0.0	-59.84	395.10	8.16	-51.68
O=C([O-])CN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012528564	1	51	0.0	-60.58	386.45	8.27	-52.31
C=CCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528565	1	51	0.0	-59.12	396.01	8.31	-50.81
CC(C)CN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528566	1	56	0.0	-59.22	419.36	9.02	-50.20
CC(C)(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528567	1	50	0.0	-65.21	376.02	5.32	-59.89
CC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)(C(=O)[O-])C1CC1	REAL300012528568	1	54	0.0	-74.68	398.91	7.06	-67.62
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CS1	REAL300012528569	1	51	0.0	-73.71	413.03	7.09	-66.62
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCCC1	REAL300012528570	1	57	0.0	-76.96	414.28	8.10	-68.86
CC(C)N(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528571	1	53	0.0	-59.84	395.10	8.16	-51.68
CCCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528572	1	53	0.0	-59.35	404.70	8.50	-50.85
CCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528573	1	50	0.0	-73.89	383.20	7.75	-66.14
CC[C@H](C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528574	1	56	0.0	-75.25	416.51	6.90	-68.35
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCC1	REAL300012528575	1	54	0.0	-76.99	399.77	7.01	-69.98
CCC(C)(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528576	1	53	0.0	-73.02	389.41	6.32	-66.70
CC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012528577	1	57	0.0	-75.02	429.23	8.79	-66.23
C[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528578	1	47	0.0	-66.56	363.44	4.92	-61.64
CCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528579	1	50	0.0	-73.89	383.20	7.75	-66.14
C[C@@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528580	1	47	0.0	-66.47	363.44	4.92	-61.55
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300012528581	1	48	0.0	-78.97	369.60	6.13	-72.84
O=C([O-])C1COCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528582	1	52	0.0	-80.00	386.52	6.45	-73.55
CN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1(C(=O)[O-])CCCCC1	REAL300012528583	1	60	0.0	-79.04	424.04	9.46	-69.58
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012528584	1	51	0.0	-74.52	389.50	6.41	-68.11
CN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012528585	1	57	0.0	-74.44	432.56	9.89	-64.55
COCCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528586	1	54	0.0	-59.99	414.58	6.93	-53.06
O=C([O-])[C@H]1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528587	1	51	0.0	-80.50	384.78	7.54	-72.96
O=C([O-])[C@H]1CCCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528588	1	54	0.0	-81.24	394.39	8.82	-72.42
C[C@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528589	1	50	0.0	-70.99	375.79	6.90	-64.09
O=C([O-])[C@@H]1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528590	1	51	0.0	-79.72	384.03	7.85	-71.87
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC1	REAL300012528591	1	51	0.0	-78.23	386.51	6.64	-71.59
C=CCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528592	1	51	0.0	-73.84	398.59	6.38	-67.46
CC1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528593	1	54	0.0	-79.52	401.11	8.40	-71.12
O=C([O-])C1CCCCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528594	1	57	0.0	-81.96	408.18	9.49	-72.47
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012528595	1	51	0.0	-74.52	389.50	6.41	-68.11
CC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528596	1	50	0.0	-71.71	375.23	6.94	-64.77
CCCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528597	1	56	0.0	-73.53	427.44	7.50	-66.03
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528598	1	54	0.0	-79.50	401.17	8.38	-71.12
O=C([O-])CN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCC1	REAL300012528599	1	57	0.0	-58.64	419.55	9.32	-49.32
COCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528600	1	51	0.0	-75.83	397.13	4.18	-71.65
CCCCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528601	1	59	0.0	-73.54	448.94	8.28	-65.26
O=C([O-])CN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCOCC1	REAL300012528602	1	58	0.0	-59.19	427.98	7.65	-51.54
CN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1(C(=O)[O-])CCCC1	REAL300012528603	1	57	0.0	-79.91	410.72	8.74	-71.17
CC(C(=O)[O-])N(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012528604	1	54	0.0	-63.58	401.64	8.34	-55.24
CCC(C(=O)[O-])N(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012528605	1	57	0.0	-61.70	423.12	9.62	-52.08
CC1=CC=C(C(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(=O)[O-])C=C1	REAL300012528606	1	57	0.0	-75.77	442.83	8.69	-67.08
O=C([O-])C(CC(F)(F)F)NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528607	1	50	0.0	-68.96	401.21	6.63	-62.33
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCSCC1	REAL300012528608	1	55	0.0	-73.55	411.98	7.79	-65.76
COCC(C)(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528609	1	54	0.0	-77.61	407.66	5.60	-72.01
CCOCC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528610	1	57	0.0	-73.00	427.41	7.31	-65.69
CC(C)CN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528611	1	56	0.0	-59.22	419.36	9.02	-50.20
O=C([O-])CN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012528612	1	51	0.0	-60.58	386.45	8.27	-52.31
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCOC1	REAL300012528613	1	52	0.0	-73.09	390.92	4.44	-68.65
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCCC1	REAL300012528614	1	60	0.0	-75.34	437.83	8.17	-67.17
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCOCC1	REAL300012528615	1	55	0.0	-77.09	406.21	5.65	-71.44
C=CCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528616	1	54	0.0	-74.07	419.58	7.26	-66.81
O=C([O-])C(CF)NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528617	1	47	0.0	-63.71	367.06	4.93	-58.78
CC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528618	1	50	0.0	-71.71	375.23	6.94	-64.77
CCC(CC)(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528619	1	56	0.0	-74.19	406.09	7.21	-66.98
CCC(C)N(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528620	1	56	0.0	-56.89	416.51	9.20	-47.69
CCC(COC)(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528621	1	57	0.0	-78.95	424.33	6.50	-72.45
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528622	1	60	0.0	-73.54	447.68	8.07	-65.47
O=C([O-])C(CC1CC1)NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528623	1	54	0.0	-73.71	416.64	7.55	-66.16
COCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528624	1	54	0.0	-74.95	418.95	5.00	-69.95
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528625	1	59	0.0	-72.26	433.52	9.42	-62.84
O=C([O-])C(CC(F)F)NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528626	1	50	0.0	-69.02	395.06	6.47	-62.55
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528627	1	60	0.0	-82.43	435.80	10.35	-72.08
CCCN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012528628	1	56	0.0	-51.26	415.73	9.33	-41.93
O=C([O-])C(CCF)NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528629	1	50	0.0	-73.74	391.86	6.08	-67.66
O=C([O-])CN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCOCC1	REAL300012528630	1	58	0.0	-59.19	427.98	7.65	-51.54
O=C([O-])CN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCCC1	REAL300012528631	1	60	0.0	-59.05	436.92	10.03	-49.02
C[C@H]1CC[C@@](NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])CC1	REAL300012528632	1	60	0.0	-77.55	428.58	8.54	-69.01
CC(CCF)(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528633	1	53	0.0	-70.46	396.00	6.45	-64.01
O=C([O-])C1C2=C(CCN1C(=O)NCC[NH+]1CCN(C3=CC=CC=C3)CC1)OC=C2	REAL300012528634	1	55	0.0	-64.70	417.68	8.45	-56.25
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528635	1	51	0.0	-74.85	397.77	7.72	-67.13
C[C@@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528636	1	50	0.0	-71.66	375.37	7.00	-64.66
O=C([O-])C12CC(C1)CN2C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528637	1	52	0.0	-85.34	390.83	8.44	-76.90
COC1CN(C(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C)(C(=O)[O-])C1	REAL300012528638	1	58	0.0	-76.90	433.43	7.39	-69.51
CC(C)(C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528639	1	56	0.0	-75.54	416.06	7.05	-68.49
C=C(Cl)CC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528640	1	51	0.0	-75.28	414.54	6.99	-68.29
C=C(C)CC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528641	1	54	0.0	-73.55	418.33	7.16	-66.39
O=C([O-])C12CCC(CC1)N2C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528642	1	55	0.0	-87.34	405.81	9.30	-78.04
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528643	1	51	0.0	-74.61	397.82	7.70	-66.91
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528644	1	51	0.0	-78.46	391.26	7.64	-70.82
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300012528645	1	52	0.0	-80.03	398.21	7.92	-72.11
CC(C)C[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528646	1	56	0.0	-73.85	423.14	7.25	-66.60
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCOCC1	REAL300012528647	1	58	0.0	-74.27	433.34	6.01	-68.26
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012528648	1	54	0.0	-75.53	421.41	8.00	-67.53
O=C([O-])C(CC1CC1)NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528649	1	54	0.0	-73.71	416.64	7.55	-66.16
CC(C)CCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528650	1	62	0.0	-73.56	466.50	8.78	-64.78
O=C([O-])C(CC1CCCO1)NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528651	1	58	0.0	-78.36	441.46	6.33	-72.03
CSCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528652	1	51	0.0	-70.63	408.07	6.38	-64.25
COC[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528653	1	51	0.0	-75.15	396.66	4.18	-70.97
CC[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528654	1	50	0.0	-73.57	384.44	5.95	-67.62
CCC(C)CC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528655	1	59	0.0	-73.83	441.38	7.91	-65.92
C=CCCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528656	1	57	0.0	-74.00	441.08	8.04	-65.96
O=C([O-])C1CSCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528657	1	52	0.0	-80.57	394.93	8.87	-71.70
CC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012528658	1	57	0.0	-75.02	429.23	8.79	-66.23
O=C([O-])[C@H]1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528659	1	51	0.0	-80.50	384.78	7.54	-72.96
CCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528660	1	53	0.0	-74.47	406.77	6.70	-67.77
CC(C)[C@@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528661	1	53	0.0	-74.58	397.38	6.27	-68.31
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528662	1	55	0.0	-85.63	405.67	9.40	-76.23
CCN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012528663	1	56	0.0	-76.05	410.00	8.73	-67.32
CCCN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012528664	1	56	0.0	-51.26	415.73	9.33	-41.93
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528665	1	50	0.0	-70.06	397.82	8.26	-61.80
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528666	1	50	0.0	-70.06	397.82	8.26	-61.80
CN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012528667	1	53	0.0	-76.34	390.50	7.82	-68.52
O=C([O-])[C@@H]1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528668	1	51	0.0	-79.72	384.03	7.85	-71.87
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528669	1	52	0.0	-82.92	396.07	4.17	-78.75
CCC[C@@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528670	1	53	0.0	-74.30	406.77	6.70	-67.60
O=C([O-])[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012528671	1	54	0.0	-75.21	421.45	8.01	-67.20
C=CCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528672	1	54	0.0	-74.07	419.58	7.26	-66.81
CN1CC(C(=O)[O-])N(C(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1=O	REAL300012528673	1	55	0.0	-75.03	412.29	7.10	-67.93
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528674	1	54	0.0	-79.70	400.62	8.35	-71.35
CC(C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528675	1	53	0.0	-72.68	399.45	6.48	-66.20
O=C([O-])[C@@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012528676	1	54	0.0	-74.64	420.80	8.04	-66.60
C[C@@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528677	1	50	0.0	-71.66	375.37	7.00	-64.66
CCC[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528678	1	53	0.0	-74.47	406.77	6.70	-67.77
CCN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012528679	1	53	0.0	-74.54	396.05	8.46	-66.08
O=C([O-])CN(C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCC1	REAL300012528680	1	57	0.0	-58.64	419.55	9.32	-49.32
CC(CN(C)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528681	1	53	0.0	-77.23	396.50	7.43	-69.80
CC[C@H](C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528682	1	56	0.0	-75.25	416.51	6.90	-68.35
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528683	1	53	0.0	-72.66	395.70	7.93	-64.73
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC(CO)C1	REAL300012528684	1	55	0.0	-78.26	418.66	3.95	-74.31
CC1CCC(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012528685	1	57	0.0	-77.17	421.35	7.68	-69.49
CC1(C)CCCC1(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528686	1	60	0.0	-77.48	430.80	8.41	-69.07
COCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528687	1	54	0.0	-74.95	418.95	5.00	-69.95
CC1(C)CC(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012528688	1	57	0.0	-78.83	422.60	8.35	-70.48
CC1(C(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(=O)[O-])CC1	REAL300012528689	1	54	0.0	-76.71	408.88	7.30	-69.41
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528690	1	52	0.0	-85.92	394.72	4.33	-81.59
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCOC1	REAL300012528691	1	55	0.0	-75.04	412.04	4.98	-70.06
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528692	1	55	0.0	-83.93	405.98	8.99	-74.94
O=C([O-])C12COC(CN1C(=O)NCC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300012528693	1	53	0.0	-81.10	398.63	6.67	-74.43
CC1CCC(C(=O)[O-])N(C(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300012528694	1	57	0.0	-82.59	416.19	9.70	-72.89
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCC1	REAL300012528695	1	54	0.0	-75.66	405.41	6.82	-68.84
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCCC1	REAL300012528696	1	60	0.0	-75.34	437.83	8.17	-67.17
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCC1	REAL300012528697	1	54	0.0	-75.66	405.41	6.82	-68.84
CC1CCN(C(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300012528698	1	54	0.0	-81.04	405.38	8.16	-72.88
C=CCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528699	1	51	0.0	-73.84	398.59	6.38	-67.46
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528700	1	55	0.0	-53.97	407.05	8.87	-45.10
COC1CC(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012528701	1	55	0.0	-74.25	418.00	5.52	-68.73
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC(F)(F)C1	REAL300012528702	1	51	0.0	-77.19	394.82	6.68	-70.51
CO[C@H]1C[C@](NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012528703	1	55	0.0	-74.20	417.98	5.52	-68.68
CCC1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528704	1	57	0.0	-80.54	416.92	9.55	-70.99
O=C([O-])C(CC(F)(F)F)NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528705	1	50	0.0	-68.96	401.21	6.63	-62.33
O=C([O-])C(CC1CCOC1)NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528706	1	58	0.0	-76.41	438.33	5.97	-70.44
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)COC1	REAL300012528707	1	49	0.0	-72.36	376.72	3.64	-68.72
CC(C)C(C)(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528708	1	56	0.0	-73.94	406.15	6.99	-66.95
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528709	1	52	0.0	-83.88	391.20	8.95	-74.93
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528710	1	55	0.0	-81.86	407.27	8.61	-73.25
C=CCSCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528711	1	55	0.0	-70.70	442.35	7.84	-62.86
CCC(C(=O)[O-])N(CC)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528712	1	56	0.0	-75.64	411.28	9.39	-66.25
COC1(C(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(=O)[O-])CCC1	REAL300012528713	1	58	0.0	-71.31	432.21	5.57	-65.74
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC(C(F)F)C1	REAL300012528714	1	54	0.0	-73.98	420.35	7.55	-66.43
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528716	1	51	0.0	-78.46	391.26	7.64	-70.82
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528717	1	53	0.0	-53.95	400.11	8.67	-45.28
CC1(C)CCN(C(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300012528718	1	57	0.0	-81.43	419.66	8.45	-72.98
CC(C)CCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528719	1	59	0.0	-73.75	445.01	8.01	-65.74
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528720	1	58	0.0	-53.72	430.91	9.34	-44.38
O=C([O-])C(CC1CCOC1)NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528721	1	58	0.0	-76.41	438.33	5.97	-70.44
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300012528722	1	55	0.0	-78.10	427.30	9.03	-69.07
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCC2CC21	REAL300012528723	1	58	0.0	-76.85	423.35	8.53	-68.32
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC2CC21	REAL300012528724	1	55	0.0	-79.09	407.26	7.83	-71.26
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC2(CCC2)C1	REAL300012528725	1	58	0.0	-77.09	429.02	8.27	-68.82
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCC1	REAL300012528726	1	57	0.0	-74.68	421.60	7.49	-67.19
CO[C@H](C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528727	1	54	0.0	-74.90	414.79	5.18	-69.72
CC1[C@@H](C)[C@@]1(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528728	1	54	0.0	-80.25	408.29	7.68	-72.57
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528729	1	57	0.0	-59.13	442.20	10.75	-48.38
CC1(C)CC(C(=O)[O-])N(C(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300012528730	1	57	0.0	-53.79	423.89	8.65	-45.14
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528731	1	54	0.0	-80.84	406.38	8.97	-71.87
O=C([O-])C1N(C(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC1(F)F	REAL300012528732	1	51	0.0	-84.05	395.69	7.99	-76.06
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528733	1	54	0.0	-73.55	413.21	8.52	-65.03
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528734	1	58	0.0	-82.57	422.92	9.02	-73.55
COCCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528735	1	57	0.0	-73.79	440.45	5.77	-68.02
CCCC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528736	1	56	0.0	-72.80	417.19	8.70	-64.10
CCOCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528737	1	54	0.0	-75.55	418.50	5.14	-70.41
CC(C)(C)CC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528738	1	59	0.0	-74.26	435.86	8.39	-65.87
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCCO1	REAL300012528739	1	58	0.0	-76.76	436.02	6.48	-70.28
C[C@H]1OCCN(C(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)[C@@H]1C(=O)[O-]	REAL300012528740	1	55	0.0	-79.84	406.04	7.09	-72.75
N#CCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012528741	1	51	0.0	-75.93	405.30	6.45	-69.48
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528742	1	54	0.0	-61.38	418.26	8.66	-52.72
C[C@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012528743	1	50	0.0	-70.99	375.79	6.90	-64.09
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300012528744	1	58	0.0	-80.45	439.87	7.52	-72.93
CC(C)C[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528745	1	56	0.0	-77.88	430.39	7.34	-70.54
C=CCOCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528746	1	55	0.0	-78.89	438.31	5.79	-73.10
C=CC(C)C(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528747	1	54	0.0	-77.80	416.51	6.91	-70.89
CC1CCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C(C(=O)[O-])C1	REAL300012528748	1	57	0.0	-86.60	422.20	9.76	-76.84
CCCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528749	1	53	0.0	-62.33	411.13	8.56	-53.77
CC(C(=O)[O-])N(C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CCC1	REAL300012528750	1	57	0.0	-66.66	423.71	8.97	-57.69
CCCN(C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(CC)C(=O)[O-]	REAL300012528751	1	59	0.0	-54.05	435.88	10.22	-43.83
CC(C)C(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528752	1	53	0.0	-77.96	408.74	6.57	-71.39
O=C([O-])C1CCCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528753	1	54	0.0	-86.38	401.28	9.13	-77.25
O=C([O-])C1CSCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528754	1	52	0.0	-83.72	401.35	8.93	-74.79
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCCCC1	REAL300012528755	1	57	0.0	-80.49	421.21	8.20	-72.29
O=C([O-])C1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528756	1	51	0.0	-83.01	389.94	7.86	-75.15
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCCC1	REAL300012528757	1	54	0.0	-80.51	406.70	7.12	-73.39
O=C([O-])CNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528758	1	44	0.0	-69.45	349.08	4.14	-65.31
CCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528759	1	50	0.0	-76.83	390.86	6.01	-70.82
CC(C)C(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528760	1	53	0.0	-77.96	408.74	6.57	-71.39
CN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528761	1	47	0.0	-77.38	367.81	6.83	-70.55
CC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528762	1	47	0.0	-69.67	369.70	5.00	-64.67
CCC(C)C(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528763	1	56	0.0	-78.47	422.94	6.96	-71.51
CN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528764	1	47	0.0	-77.38	367.81	6.83	-70.55
O=C([O-])C1CCCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528765	1	54	0.0	-86.38	401.28	9.13	-77.25
CCCC(C)(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528766	1	56	0.0	-76.40	417.34	7.13	-69.27
CC(C)N(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528767	1	53	0.0	-77.58	399.31	8.06	-69.52
O=C([O-])CN(C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CC1	REAL300012528768	1	51	0.0	-63.75	392.88	8.33	-55.42
C=CCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528769	1	51	0.0	-62.17	402.44	8.37	-53.80
CC(C)CN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528770	1	56	0.0	-62.25	425.78	9.08	-53.17
CC(C)(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528771	1	50	0.0	-68.58	382.45	5.38	-63.20
CC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)(C(=O)[O-])C1CC1	REAL300012528772	1	54	0.0	-78.17	405.33	7.13	-71.04
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCCCC1	REAL300012528773	1	57	0.0	-80.49	421.21	8.20	-72.29
CC(C)N(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528774	1	53	0.0	-77.58	399.31	8.06	-69.52
CCCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528775	1	53	0.0	-62.33	411.13	8.56	-53.77
CCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528776	1	50	0.0	-77.12	389.63	7.81	-69.31
CC[C@H](C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528777	1	56	0.0	-78.43	422.94	6.96	-71.47
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCCC1	REAL300012528778	1	54	0.0	-80.51	406.70	7.12	-73.39
CCC(C)(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528779	1	53	0.0	-76.10	395.84	6.38	-69.72
C[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528780	1	47	0.0	-69.96	369.86	4.98	-64.98
CCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528781	1	50	0.0	-77.12	389.63	7.81	-69.31
C[C@@H](NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528782	1	47	0.0	-70.02	369.86	4.98	-65.04
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1	REAL300012528783	1	48	0.0	-82.19	376.02	6.19	-76.00
O=C([O-])C1COCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528784	1	52	0.0	-83.17	392.95	6.51	-76.66
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CC1	REAL300012528785	1	51	0.0	-79.04	398.07	6.49	-72.55
COCCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528786	1	54	0.0	-63.08	421.00	6.99	-56.09
O=C([O-])[C@H]1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528787	1	51	0.0	-83.67	391.21	7.60	-76.07
O=C([O-])[C@H]1CCCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528788	1	54	0.0	-84.62	401.32	8.93	-75.69
C[C@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528789	1	50	0.0	-74.63	382.72	7.06	-67.57
O=C([O-])[C@@H]1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528790	1	51	0.0	-82.98	390.45	7.92	-75.06
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCC1	REAL300012528791	1	51	0.0	-81.32	392.94	6.70	-74.62
C=CCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528792	1	51	0.0	-77.03	405.01	6.45	-70.58
CC1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528793	1	54	0.0	-82.67	407.53	8.46	-74.21
O=C([O-])C1CCCCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528794	1	57	0.0	-85.13	414.10	9.51	-75.62
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CC1	REAL300012528795	1	51	0.0	-79.04	398.07	6.49	-72.55
CC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528796	1	50	0.0	-75.00	381.65	7.00	-68.00
CCCCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528797	1	56	0.0	-77.54	434.69	7.55	-69.99
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528798	1	54	0.0	-82.77	407.54	8.44	-74.33
O=C([O-])CN(C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CCCC1	REAL300012528799	1	57	0.0	-61.43	425.96	9.38	-52.05
COCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528800	1	51	0.0	-78.99	403.55	4.24	-74.75
CCCCCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528801	1	59	0.0	-76.80	455.36	8.34	-68.46
CN(C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1(C(=O)[O-])CCCC1	REAL300012528802	1	57	0.0	-83.09	416.64	8.76	-74.33
CC(C(=O)[O-])N(C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CC1	REAL300012528803	1	54	0.0	-67.00	408.03	8.51	-58.49
CCC(C(=O)[O-])N(C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CC1	REAL300012528804	1	57	0.0	-65.03	429.04	9.63	-55.40
COCC(C)(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528805	1	54	0.0	-80.75	414.08	5.66	-75.09
CCOCC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528806	1	57	0.0	-76.32	433.83	7.37	-68.95
CC(C)CN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528807	1	56	0.0	-62.25	425.78	9.08	-53.17
O=C([O-])CN(C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CC1	REAL300012528808	1	51	0.0	-63.75	392.88	8.33	-55.42
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCOC1	REAL300012528809	1	52	0.0	-76.33	397.34	4.50	-71.83
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCOCC1	REAL300012528810	1	55	0.0	-80.20	412.64	5.71	-74.49
C=CCCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528811	1	54	0.0	-77.30	426.00	7.33	-69.97
O=C([O-])C(CF)NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528812	1	47	0.0	-66.83	373.32	5.01	-61.82
CC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528813	1	50	0.0	-75.00	381.65	7.00	-68.00
CCC(CC)(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528814	1	56	0.0	-77.37	412.50	7.26	-70.11
CCC(C)N(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528815	1	56	0.0	-59.86	422.94	9.26	-50.60
CCC(COC)(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528816	1	57	0.0	-82.09	430.75	6.56	-75.53
O=C([O-])C(CC1CC1)NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528817	1	54	0.0	-77.46	423.31	7.55	-69.91
COCCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528818	1	54	0.0	-77.36	424.53	5.07	-72.29
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528819	1	59	0.0	-76.06	439.98	9.33	-66.73
O=C([O-])C(CC(F)F)NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528820	1	50	0.0	-73.12	402.31	6.53	-66.59
CCCN(C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(C)C(=O)[O-]	REAL300012528821	1	56	0.0	-53.81	421.79	9.44	-44.37
O=C([O-])C(CCF)NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528822	1	50	0.0	-76.95	398.28	6.14	-70.81
CC(CCF)(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528823	1	53	0.0	-73.59	402.43	6.51	-67.08
C[C@@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528824	1	50	0.0	-75.00	381.65	7.00	-68.00
O=C([O-])C12CC(C1)CN2C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528825	1	52	0.0	-88.73	397.25	8.49	-80.24
CC(C)(C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528826	1	56	0.0	-78.78	422.49	7.11	-71.67
C=C(Cl)CC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528827	1	51	0.0	-78.45	420.96	7.06	-71.39
C=C(C)CC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528828	1	54	0.0	-77.67	425.28	7.19	-70.48
O=C([O-])C12CCC(CC1)N2C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528829	1	55	0.0	-90.76	412.24	9.36	-81.40
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528830	1	51	0.0	-81.19	396.44	7.95	-73.24
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300012528831	1	52	0.0	-83.29	404.64	7.98	-75.31
CC(C)C[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528832	1	56	0.0	-77.88	430.39	7.34	-70.54
O=C([O-])C(CC1CC1)NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528833	1	54	0.0	-77.46	423.31	7.55	-69.91
CSCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528834	1	51	0.0	-73.89	414.49	6.44	-67.45
COC[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528835	1	51	0.0	-78.95	403.55	4.24	-74.71
CC[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528836	1	50	0.0	-76.82	390.86	6.01	-70.81
CCC(C)CC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528837	1	59	0.0	-77.83	448.62	7.96	-69.87
C=CCCCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528838	1	57	0.0	-76.23	446.67	8.12	-68.11
O=C([O-])C1CSCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528839	1	52	0.0	-83.72	401.35	8.93	-74.79
O=C([O-])[C@H]1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528840	1	51	0.0	-83.67	391.21	7.60	-76.07
CCCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528841	1	53	0.0	-77.61	413.19	6.77	-70.84
CC(C)[C@@H](NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528842	1	53	0.0	-76.97	406.81	6.61	-70.36
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528843	1	55	0.0	-88.66	411.98	9.48	-79.18
CCN(C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012528844	1	56	0.0	-79.64	416.42	8.77	-70.87
CCCN(C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(C)C(=O)[O-]	REAL300012528845	1	56	0.0	-53.81	421.79	9.44	-44.37
CN(C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012528846	1	53	0.0	-79.90	396.93	7.88	-72.02
O=C([O-])[C@@H]1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528847	1	51	0.0	-82.98	390.45	7.92	-75.06
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528848	1	52	0.0	-86.04	402.49	4.23	-81.81
CCC[C@@H](NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528849	1	53	0.0	-77.89	413.19	6.76	-71.13
C=CCCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528850	1	54	0.0	-77.30	426.00	7.33	-69.97
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528851	1	54	0.0	-83.14	407.05	8.41	-74.73
CC(C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528852	1	53	0.0	-77.90	404.38	6.32	-71.58
C[C@@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528853	1	50	0.0	-75.00	381.65	7.00	-68.00
CCC[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528854	1	53	0.0	-76.83	412.36	6.77	-70.06
CCN(C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(C)C(=O)[O-]	REAL300012528855	1	53	0.0	-78.09	402.47	8.52	-69.57
O=C([O-])CN(C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CCCC1	REAL300012528856	1	57	0.0	-61.43	425.96	9.38	-52.05
CC(CN(C)C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528857	1	53	0.0	-80.89	402.92	7.49	-73.40
CC[C@H](C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528858	1	56	0.0	-78.43	422.94	6.96	-71.47
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528859	1	53	0.0	-76.03	402.11	7.99	-68.04
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC(CO)C1	REAL300012528860	1	55	0.0	-81.42	424.58	3.94	-77.48
CC1CCC(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)(C(=O)[O-])C1	REAL300012528861	1	57	0.0	-80.67	427.76	7.74	-72.93
COCCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528862	1	54	0.0	-77.36	424.53	5.07	-72.29
CC1(C)CC(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)(C(=O)[O-])C1	REAL300012528863	1	57	0.0	-82.08	428.75	8.36	-73.72
CC1(C(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C(=O)[O-])CC1	REAL300012528864	1	54	0.0	-80.28	415.30	7.36	-72.92
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528865	1	52	0.0	-89.04	401.15	4.39	-84.65
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CCOC1	REAL300012528866	1	55	0.0	-76.30	423.93	5.04	-71.26
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528867	1	55	0.0	-87.14	412.41	9.04	-78.10
O=C([O-])C12COC(CN1C(=O)NCC[NH+]1CCN(C3=CC=C(F)C=C3)CC1)C2	REAL300012528868	1	53	0.0	-84.26	405.05	6.72	-77.54
CC1CCC(C(=O)[O-])N(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300012528869	1	57	0.0	-85.83	422.12	9.72	-76.11
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CCC1	REAL300012528870	1	54	0.0	-78.81	411.83	6.88	-71.93
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CCC1	REAL300012528871	1	54	0.0	-78.81	411.83	6.88	-71.93
CC1CCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1C(=O)[O-]	REAL300012528872	1	54	0.0	-84.10	406.63	8.07	-76.03
C=CCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528873	1	51	0.0	-77.03	405.01	6.45	-70.58
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528874	1	55	0.0	-57.41	414.35	8.85	-48.56
COC1CC(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)(C(=O)[O-])C1	REAL300012528875	1	55	0.0	-84.24	425.78	5.62	-78.62
CO[C@H]1C[C@](NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)(C(=O)[O-])C1	REAL300012528876	1	55	0.0	-78.51	424.27	5.92	-72.59
CCC1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528877	1	57	0.0	-83.62	423.35	9.61	-74.01
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)COC1	REAL300012528878	1	49	0.0	-75.70	383.65	3.75	-71.95
CC(C)C(C)(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528879	1	56	0.0	-77.43	412.57	7.06	-70.37
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528880	1	52	0.0	-86.97	397.62	9.00	-77.97
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528881	1	55	0.0	-85.76	413.89	8.47	-77.29
CCC(C(=O)[O-])N(CC)C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528882	1	56	0.0	-78.83	418.42	9.45	-69.38
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528883	1	51	0.0	-81.19	396.44	7.95	-73.24
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528884	1	53	0.0	-56.24	406.03	8.69	-47.55
CC1(C)CCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1C(=O)[O-]	REAL300012528885	1	57	0.0	-85.07	426.09	8.51	-76.56
CC(C)CCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528886	1	59	0.0	-77.00	451.42	8.07	-68.93
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCC2CC21	REAL300012528887	1	55	0.0	-82.05	414.19	7.94	-74.11
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CCCC1	REAL300012528888	1	57	0.0	-77.88	427.86	7.58	-70.30
CO[C@H](C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528889	1	54	0.0	-78.06	421.21	5.24	-72.82
CC1[C@@H](C)[C@@]1(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528890	1	54	0.0	-83.24	414.21	7.69	-75.55
CC1(C)CC(C(=O)[O-])N(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300012528891	1	57	0.0	-56.72	430.31	8.71	-48.01
COCCCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528892	1	57	0.0	-76.17	446.03	5.84	-70.33
CCCC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528893	1	56	0.0	-75.52	423.58	8.92	-66.60
CCOCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528894	1	54	0.0	-78.68	424.92	5.20	-73.48
CC(C)(C)CC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528895	1	59	0.0	-77.52	442.28	8.45	-69.07
C[C@H]1OCCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)[C@@H]1C(=O)[O-]	REAL300012528896	1	55	0.0	-84.71	413.12	7.48	-77.23
N#CCCC(NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300012528897	1	51	0.0	-79.97	412.55	6.51	-73.46
C[C@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300012528898	1	50	0.0	-74.63	382.72	7.06	-67.57
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)=C1	REAL300012528899	0	62	0.0	-78.49	466.64	8.76	-69.73
C=CC(C)C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528900	0	60	0.0	-79.66	453.75	8.27	-71.39
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012528901	0	59	0.0	-64.31	447.60	9.96	-54.35
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(C(=O)[O-])C(C)C)CC2)=C1	REAL300012528902	0	59	0.0	-79.04	440.86	7.72	-71.32
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCCCC3C(=O)[O-])CC2)=C1	REAL300012528903	0	60	0.0	-87.93	438.47	10.53	-77.40
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCCC3C(=O)[O-])CC2)=C1	REAL300012528904	0	57	0.0	-84.56	426.93	9.30	-75.26
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC3(C(=O)[O-])CCCC3)CC2)=C1	REAL300012528905	0	60	0.0	-81.68	443.18	8.50	-73.18
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCC(=O)[O-])CC2)=C1	REAL300012528906	0	50	0.0	-69.27	385.55	5.55	-63.72
CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528907	0	56	0.0	-77.95	427.34	7.41	-70.54
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(C(=O)[O-])C(C)C)CC2)=C1	REAL300012528908	0	59	0.0	-79.04	440.86	7.72	-71.32
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(C)CC(=O)[O-])CC2)=C1	REAL300012528909	0	53	0.0	-77.84	404.29	8.22	-69.62
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(C)C(=O)[O-])CC2)=C1	REAL300012528910	0	53	0.0	-69.78	406.34	6.37	-63.41
CCC(C)C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528911	0	62	0.0	-79.60	459.41	8.35	-71.25
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(C)CC(=O)[O-])CC2)=C1	REAL300012528912	0	53	0.0	-77.84	404.29	8.22	-69.62
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCCCC3C(=O)[O-])CC2)=C1	REAL300012528913	0	60	0.0	-87.93	438.47	10.53	-77.40
CCCC(C)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528914	0	62	0.0	-78.21	453.81	8.53	-69.68
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(CC(=O)[O-])C(C)C)CC2)=C1	REAL300012528915	0	59	0.0	-65.23	436.22	9.49	-55.74
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(CC(=O)[O-])C3CC3)CC2)=C1	REAL300012528916	0	57	0.0	-61.42	429.65	9.77	-51.65
C=CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012528917	0	57	0.0	-64.10	438.91	9.76	-54.34
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(CC(=O)[O-])CC(C)C)CC2)=C1	REAL300012528918	0	62	0.0	-63.62	462.01	10.26	-53.36
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(C)(C)C(=O)[O-])CC2)=C1	REAL300012528919	0	56	0.0	-68.25	418.92	6.77	-61.48
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(C)(C(=O)[O-])C3CC3)CC2)=C1	REAL300012528920	0	60	0.0	-79.50	441.81	8.51	-70.99
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(CC(=O)[O-])C(C)C)CC2)=C1	REAL300012528921	0	59	0.0	-65.23	436.22	9.49	-55.74
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012528922	0	59	0.0	-64.31	447.60	9.96	-54.35
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012528923	0	56	0.0	-78.04	426.10	9.20	-68.84
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528924	0	62	0.0	-78.82	458.70	8.40	-70.42
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC3(C(=O)[O-])CCCC3)CC2)=C1	REAL300012528925	0	60	0.0	-81.68	443.18	8.50	-73.18
CCC(C)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528926	0	59	0.0	-77.94	432.31	7.77	-70.17
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@@H](C)C(=O)[O-])CC2)=C1	REAL300012528927	0	53	0.0	-69.64	406.18	6.40	-63.24
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012528928	0	56	0.0	-78.04	426.10	9.20	-68.84
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@H](C)C(=O)[O-])CC2)=C1	REAL300012528929	0	53	0.0	-69.72	406.34	6.37	-63.35
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC3(C(=O)[O-])CC3)CC2)=C1	REAL300012528930	0	54	0.0	-83.69	412.51	7.59	-76.10
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCOCC3C(=O)[O-])CC2)=C1	REAL300012528931	0	58	0.0	-84.71	429.43	7.91	-76.80
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(C(=O)[O-])C3CC3)CC2)=C1	REAL300012528932	0	57	0.0	-79.86	434.55	7.89	-71.97
COCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012528933	0	60	0.0	-64.91	457.48	8.39	-56.52
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)=C1	REAL300012528934	0	57	0.0	-85.00	427.69	9.00	-76.00
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCCC[C@@H]3C(=O)[O-])CC2)=C1	REAL300012528935	0	60	0.0	-86.77	437.80	10.32	-76.45
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(C)[C@H](C)C(=O)[O-])CC2)=C1	REAL300012528936	0	56	0.0	-75.48	418.15	8.30	-67.18
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCC[C@H]3C(=O)[O-])CC2)=C1	REAL300012528937	0	57	0.0	-84.60	426.92	9.31	-75.29
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC3(C(=O)[O-])CCC3)CC2)=C1	REAL300012528938	0	57	0.0	-82.94	429.42	8.09	-74.85
C=CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528939	0	57	0.0	-78.07	441.49	7.84	-70.23
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCCC3(C)C(=O)[O-])CC2)=C1	REAL300012528940	0	60	0.0	-84.09	444.07	9.85	-74.24
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(C(=O)[O-])C3CC3)CC2)=C1	REAL300012528941	0	57	0.0	-79.86	434.55	7.89	-71.97
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(C)C(C)C(=O)[O-])CC2)=C1	REAL300012528942	0	56	0.0	-75.30	418.12	8.39	-66.91
CCCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528943	0	62	0.0	-77.80	470.34	8.95	-68.85
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCC[C@@]3(C)C(=O)[O-])CC2)=C1	REAL300012528944	0	60	0.0	-84.40	444.08	9.84	-74.56
COCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528945	0	57	0.0	-79.59	439.54	5.62	-73.97
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(C(C)C(=O)[O-])C3CC3)CC2)=C1	REAL300012528946	0	60	0.0	-67.61	444.51	9.91	-57.70
COCC(C)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528947	0	60	0.0	-82.45	450.56	7.05	-75.40
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(CC(=O)[O-])CC(C)C)CC2)=C1	REAL300012528948	0	62	0.0	-63.62	462.01	10.26	-53.36
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(CC(=O)[O-])C3CC3)CC2)=C1	REAL300012528949	0	57	0.0	-61.42	429.65	9.77	-51.65
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC3(C(=O)[O-])CCOC3)CC2)=C1	REAL300012528950	0	58	0.0	-77.55	433.70	5.91	-71.64
C=CCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528951	0	60	0.0	-78.20	462.48	8.72	-69.48
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(CF)C(=O)[O-])CC2)=C1	REAL300012528952	0	53	0.0	-67.28	409.96	6.38	-60.90
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(C)C(C)C(=O)[O-])CC2)=C1	REAL300012528953	0	56	0.0	-75.30	418.12	8.39	-66.91
CCC(CC)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528954	0	62	0.0	-78.92	448.70	8.66	-70.26
CCC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012528955	0	62	0.0	-61.96	459.42	10.65	-51.31
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(CC3CC3)C(=O)[O-])CC2)=C1	REAL300012528956	0	60	0.0	-77.75	458.96	8.98	-68.77
COCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528957	0	60	0.0	-78.86	461.84	6.45	-72.41
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(CC(F)F)C(=O)[O-])CC2)=C1	REAL300012528958	0	56	0.0	-73.28	437.96	7.93	-65.35
CCCN(C(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(C)C(=O)[O-]	REAL300012528959	0	62	0.0	-75.33	457.84	10.04	-65.29
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(CCF)C(=O)[O-])CC2)=C1	REAL300012528960	0	56	0.0	-76.85	433.93	7.54	-69.31
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(C)(CCF)C(=O)[O-])CC2)=C1	REAL300012528961	0	59	0.0	-75.07	438.90	7.91	-67.16
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC2)=C1	REAL300012528962	0	56	0.0	-74.74	419.19	8.46	-66.28
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CC4CC3(C(=O)[O-])C4)CC2)=C1	REAL300012528963	0	58	0.0	-90.09	434.24	9.94	-80.15
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC2)=C1	REAL300012528964	0	62	0.0	-79.94	458.97	8.50	-71.44
C=C(C)CC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528965	0	60	0.0	-77.84	461.19	8.61	-69.23
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)=C1	REAL300012528966	0	57	0.0	-82.34	433.43	9.40	-72.94
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CCN(C3=CC=CC(C)=C3)CC2)C1	REAL300012528967	0	58	0.0	-84.88	441.12	9.37	-75.51
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)=C1	REAL300012528968	0	62	0.0	-78.49	466.64	8.76	-69.73
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(CC3CC3)C(=O)[O-])CC2)=C1	REAL300012528969	0	60	0.0	-77.75	458.96	8.98	-68.77
CSCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528970	0	57	0.0	-75.23	450.97	7.84	-67.39
COC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528971	0	57	0.0	-79.57	439.56	5.63	-73.94
CC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528972	0	56	0.0	-77.93	427.36	7.43	-70.50
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)=C1	REAL300012528973	0	57	0.0	-85.00	427.69	9.00	-76.00
CCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528974	0	59	0.0	-78.63	449.67	8.15	-70.48
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC2)=C1	REAL300012528975	0	59	0.0	-78.06	439.62	7.80	-70.26
CCN(C(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012528976	0	62	0.0	-81.04	452.90	10.18	-70.86
CCCN(C(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(C)C(=O)[O-]	REAL300012528977	0	62	0.0	-75.33	457.84	10.04	-65.29
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(C)C(C)(C)C(=O)[O-])CC2)=C1	REAL300012528978	0	59	0.0	-81.12	433.40	9.28	-71.84
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCC[C@H]3C(=O)[O-])CC2)=C1	REAL300012528979	0	57	0.0	-84.60	426.92	9.31	-75.29
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])CC2)=C1	REAL300012528980	0	58	0.0	-86.93	438.95	5.61	-81.32
CCC[C@@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528981	0	59	0.0	-78.44	449.67	8.17	-70.27
C=CCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528982	0	60	0.0	-78.20	462.48	8.72	-69.48
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCC[C@]3(C)C(=O)[O-])CC2)=C1	REAL300012528983	0	60	0.0	-84.15	444.03	9.86	-74.29
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@H](C(=O)[O-])C(C)C)CC2)=C1	REAL300012528984	0	59	0.0	-77.72	439.30	7.70	-70.02
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC2)=C1	REAL300012528985	0	56	0.0	-74.74	419.19	8.46	-66.28
CCC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528986	0	59	0.0	-77.94	448.86	8.19	-69.75
CCN(C(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(C)C(=O)[O-]	REAL300012528987	0	59	0.0	-79.32	439.09	9.94	-69.38
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(C)CC(C)C(=O)[O-])CC2)=C1	REAL300012528988	0	59	0.0	-79.46	438.52	8.86	-70.60
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528989	0	62	0.0	-78.82	458.70	8.40	-70.42
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012528990	0	59	0.0	-75.24	439.65	9.53	-65.71
COCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528991	0	60	0.0	-78.86	461.84	6.45	-72.41
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(C(=O)[O-])C3(C)CC3)CC2)=C1	REAL300012528992	0	60	0.0	-81.04	451.78	8.76	-72.28
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])CC2)=C1	REAL300012528993	0	58	0.0	-90.70	437.13	5.75	-84.95
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(C(=O)[O-])C3CCC3)CC2)=C1	REAL300012528994	0	60	0.0	-78.71	447.84	8.34	-70.37
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(C(=O)[O-])C3CCC3)CC2)=C1	REAL300012528995	0	60	0.0	-78.71	447.84	8.34	-70.37
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCC(C)C3C(=O)[O-])CC2)=C1	REAL300012528996	0	60	0.0	-85.98	448.30	9.60	-76.38
C=CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012528997	0	57	0.0	-78.07	441.49	7.84	-70.23
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC3(C(=O)[O-])COC3)CC2)=C1	REAL300012528998	0	55	0.0	-77.06	420.28	5.13	-71.93
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(C)(C(=O)[O-])C(C)C)CC2)=C1	REAL300012528999	0	62	0.0	-79.06	449.04	8.46	-70.60
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])CC2)=C1	REAL300012529000	0	58	0.0	-88.73	434.60	10.46	-78.27
CCC(C(=O)[O-])N(CC)C(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012529001	0	62	0.0	-80.40	454.18	10.84	-69.56
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)=C1	REAL300012529002	0	57	0.0	-82.34	433.43	9.40	-72.94
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3C4C=CC(C4)C3C(=O)[O-])CC2)=C1	REAL300012529003	0	59	0.0	-59.48	442.30	10.18	-49.30
CO[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012529004	0	60	0.0	-79.19	457.69	6.63	-72.56
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)CC2)=C1	REAL300012529005	0	60	0.0	-84.86	451.18	9.13	-75.73
CCCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012529006	0	62	0.0	-76.33	460.09	10.15	-66.18
CCOCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012529007	0	60	0.0	-79.97	461.40	6.60	-73.37
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(CCC#N)C(=O)[O-])CC2)=C1	REAL300012529008	0	57	0.0	-80.08	449.03	7.89	-72.19
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(C)[C@H](C)C(=O)[O-])CC2)=C1	REAL300012529009	0	56	0.0	-75.48	418.15	8.30	-67.18
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012529010	0	62	0.0	-66.76	469.10	10.73	-56.03
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C(C)C)CC2)=C1	REAL300012529011	0	62	0.0	-80.67	466.71	8.75	-71.92
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N3CCCC3C(=O)[O-])CC2)=C1	REAL300012529012	0	60	0.0	-86.17	448.43	10.07	-76.10
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NCC(=O)[O-])CC2)=C1	REAL300012529013	0	53	0.0	-70.18	407.05	6.31	-63.87
CCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012529014	0	59	0.0	-79.98	449.67	8.16	-71.82
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C(C)C)CC2)=C1	REAL300012529015	0	62	0.0	-80.67	466.71	8.75	-71.92
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(C)CC(=O)[O-])CC2)=C1	REAL300012529016	0	56	0.0	-79.55	425.79	8.99	-70.56
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NC(C)C(=O)[O-])CC2)=C1	REAL300012529017	0	56	0.0	-70.73	427.84	7.14	-63.59
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(C)CC(=O)[O-])CC2)=C1	REAL300012529018	0	56	0.0	-79.55	425.79	8.99	-70.56
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C(C)C)CC2)=C1	REAL300012529019	0	62	0.0	-67.74	457.72	10.26	-57.48
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C3CC3)CC2)=C1	REAL300012529020	0	60	0.0	-67.90	450.86	10.50	-57.40
C=CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012529021	0	60	0.0	-66.57	460.41	10.54	-56.03
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NC(C)(C)C(=O)[O-])CC2)=C1	REAL300012529022	0	59	0.0	-69.12	440.42	7.54	-61.58
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C(C)C)CC2)=C1	REAL300012529023	0	62	0.0	-67.74	457.72	10.26	-57.48
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012529024	0	62	0.0	-66.76	469.10	10.73	-56.03
CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012529025	0	59	0.0	-79.70	447.60	9.97	-69.73
CCC(C)(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012529026	0	62	0.0	-79.80	453.81	8.54	-71.26
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N[C@@H](C)C(=O)[O-])CC2)=C1	REAL300012529027	0	56	0.0	-70.73	427.85	7.14	-63.59
CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012529028	0	59	0.0	-79.70	447.60	9.97	-69.73
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N[C@H](C)C(=O)[O-])CC2)=C1	REAL300012529029	0	56	0.0	-71.22	428.16	7.11	-64.11
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NC3(C(=O)[O-])CC3)CC2)=C1	REAL300012529030	0	57	0.0	-85.52	434.01	8.36	-77.16
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C3CC3)CC2)=C1	REAL300012529031	0	60	0.0	-81.67	456.05	8.66	-73.01
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)=C1	REAL300012529032	0	60	0.0	-86.86	449.18	9.77	-77.09
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(C)[C@H](C)C(=O)[O-])CC2)=C1	REAL300012529033	0	59	0.0	-76.65	439.65	9.07	-67.58
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N3CCC[C@H]3C(=O)[O-])CC2)=C1	REAL300012529034	0	60	0.0	-86.18	448.42	10.07	-76.11
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NC3(C(=O)[O-])CCC3)CC2)=C1	REAL300012529035	0	60	0.0	-84.75	450.92	8.86	-75.89
C=CCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012529036	0	60	0.0	-78.90	462.15	8.62	-70.28
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NC(C(=O)[O-])C3CC3)CC2)=C1	REAL300012529037	0	60	0.0	-81.67	456.05	8.66	-73.01
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(C)C(C)C(=O)[O-])CC2)=C1	REAL300012529038	0	59	0.0	-76.19	439.76	9.23	-66.96
COCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012529039	0	60	0.0	-81.54	461.53	6.41	-75.13
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(CC(=O)[O-])C3CC3)CC2)=C1	REAL300012529040	0	60	0.0	-67.90	450.86	10.50	-57.40
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NC(CF)C(=O)[O-])CC2)=C1	REAL300012529041	0	56	0.0	-68.34	431.29	7.18	-61.16
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(C)C(C)C(=O)[O-])CC2)=C1	REAL300012529042	0	59	0.0	-76.19	439.76	9.23	-66.96
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NC(CCF)C(=O)[O-])CC2)=C1	REAL300012529043	0	59	0.0	-78.52	456.26	8.30	-70.22
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC2)=C1	REAL300012529044	0	59	0.0	-75.75	440.70	9.23	-66.52
COC[C@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012529045	0	60	0.0	-81.54	461.53	6.41	-75.13
CC[C@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012529046	0	59	0.0	-80.01	449.68	8.17	-71.84
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)=C1	REAL300012529047	0	60	0.0	-86.86	449.18	9.77	-77.09
CCCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012529048	0	62	0.0	-79.97	471.17	8.93	-71.04
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC2)=C1	REAL300012529049	0	62	0.0	-79.53	464.79	8.77	-70.76
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(C)C(C)(C)C(=O)[O-])CC2)=C1	REAL300012529050	0	62	0.0	-83.33	454.90	10.05	-73.28
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N3CCC[C@H]3C(=O)[O-])CC2)=C1	REAL300012529051	0	60	0.0	-86.18	448.42	10.07	-76.11
CCC[C@@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012529052	0	62	0.0	-79.73	470.93	8.99	-70.74
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N[C@H](C(=O)[O-])C(C)C)CC2)=C1	REAL300012529053	0	62	0.0	-79.23	460.80	8.47	-70.76
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC2)=C1	REAL300012529054	0	59	0.0	-75.75	440.70	9.23	-66.52
CCC[C@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012529055	0	62	0.0	-79.37	470.36	8.96	-70.41
CCN(C(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(C)C(=O)[O-]	REAL300012529056	0	62	0.0	-81.45	460.59	10.71	-70.74
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(C)CC(C)C(=O)[O-])CC2)=C1	REAL300012529057	0	62	0.0	-79.97	460.90	9.66	-70.31
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300012529058	0	62	0.0	-76.09	460.64	10.19	-65.90
C=CCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300012529059	0	60	0.0	-78.90	462.15	8.62	-70.28
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NC3(C(=O)[O-])COC3)CC2)=C1	REAL300012529060	0	58	0.0	-78.76	441.77	5.91	-72.85
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(C)[C@H](C)C(=O)[O-])CC2)=C1	REAL300012529061	0	59	0.0	-76.65	439.65	9.07	-67.58
CC1=CC=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012529165	0	52	0.0	-68.84	407.75	6.18	-62.66
CC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012529364	0	52	0.0	-65.86	407.63	6.23	-59.63
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCOCC2)CC1	REAL300012529576	0	57	0.0	-59.51	419.39	5.73	-53.78
CC(C)C[C@H](NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529684	1	45	0.0	-73.54	353.82	6.19	-67.35
C=CCOCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529685	1	44	0.0	-74.78	361.71	4.55	-70.23
C=CC(C)C(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529686	1	43	0.0	-73.95	340.38	5.69	-68.26
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1CCOCC1	REAL300012529687	1	47	0.0	-76.26	359.50	4.64	-71.62
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC=C(F)C(F)=C1	REAL300012529688	1	43	0.0	-69.29	363.82	7.00	-62.29
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC=C(Cl)C(F)=C1	REAL300012529689	1	43	0.0	-69.85	374.30	7.41	-62.44
COC1CCN(C(=O)NCC[NH+]2CCSCC2)C(C(=O)[O-])C1	REAL300012529690	1	47	0.0	-82.50	355.55	6.80	-75.70
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1CCCOC1	REAL300012529691	1	47	0.0	-72.91	360.05	4.60	-68.31
CC1CCN(C(=O)NCC[NH+]2CCSCC2)C(C(=O)[O-])C1	REAL300012529692	1	46	0.0	-82.77	346.38	8.60	-74.17
CC1=CC(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])=CC=C1F	REAL300012529693	1	46	0.0	-72.18	378.46	7.54	-64.64
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC=C2OCCC2=C1	REAL300012529694	1	48	0.0	-74.40	387.65	6.70	-67.70
CC1=CC(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])=CC(C)=C1	REAL300012529695	1	49	0.0	-74.89	394.34	8.25	-66.64
CC1=CC=C(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])C=C1C	REAL300012529696	1	49	0.0	-75.04	389.53	8.08	-66.96
COC1=CC=C(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])C=C1Cl	REAL300012529697	1	47	0.0	-72.02	396.63	6.74	-65.28
CC1=CC=CC(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])=C1C	REAL300012529698	1	49	0.0	-75.19	381.74	7.88	-67.31
COC1=CC=C(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])C=C1F	REAL300012529699	1	47	0.0	-73.31	387.43	6.22	-67.09
CC(C(=O)[O-])N(C(=O)NCC[NH+]1CCSCC1)C1CCC1	REAL300012529700	1	46	0.0	-61.60	346.86	7.63	-53.97
CCCN(C(=O)NCC[NH+]1CCSCC1)C(COC)C(=O)[O-]	REAL300012529701	1	49	0.0	-74.57	377.53	8.33	-66.24
CCCN(C(=O)NCC[NH+]1CCSCC1)C(CC)C(=O)[O-]	REAL300012529702	1	48	0.0	-74.68	364.30	8.96	-65.72
O=C([O-])C1CCCCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529703	1	43	0.0	-82.56	325.46	7.96	-74.60
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC=C(Cl)C=C1	REAL300012529704	1	43	0.0	-71.89	368.44	7.36	-64.53
O=C([O-])C1CSCCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529705	1	41	0.0	-80.60	325.28	7.82	-72.78
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CCCCC1	REAL300012529706	1	46	0.0	-76.35	345.09	6.98	-69.37
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CCCC1	REAL300012529707	1	43	0.0	-76.71	329.80	5.86	-70.85
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CCCCCC1	REAL300012529708	1	49	0.0	-77.08	350.75	7.66	-69.42
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529709	1	46	0.0	-75.14	374.01	7.80	-67.34
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC[NH+]1CCSCC1	REAL300012529710	1	46	0.0	-58.73	372.51	9.59	-49.14
O=C([O-])[C@H](NC(=O)NCC[NH+]1CCSCC1)C1=CC=CC=C1	REAL300012529711	1	43	0.0	-74.17	351.51	6.93	-67.24
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC=CC=C1	REAL300012529712	1	43	0.0	-74.31	351.11	6.88	-67.43
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529713	1	46	0.0	-75.14	374.01	7.80	-67.34
CCC(C)C(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529714	1	45	0.0	-73.09	348.69	6.01	-67.08
O=C([O-])C1CCCCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529715	1	43	0.0	-82.56	325.46	7.96	-74.60
CCCC(C)(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529716	1	45	0.0	-72.90	341.21	5.91	-66.99
CC(C)CN(CC(=O)[O-])C(=O)NCC[NH+]1CCSCC1	REAL300012529717	1	45	0.0	-58.81	349.66	7.86	-50.95
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529718	1	47	0.0	-86.27	360.98	9.64	-76.63
CC(NC(=O)NCC[NH+]1CCSCC1)(C(=O)[O-])C1CC1	REAL300012529719	1	43	0.0	-74.34	329.01	5.90	-68.44
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC=CS1	REAL300012529720	1	40	0.0	-72.86	343.37	5.94	-66.92
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CCCCC1	REAL300012529721	1	46	0.0	-76.35	345.09	6.98	-69.37
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NCC[NH+]1CCSCC1	REAL300012529722	1	46	0.0	-56.92	389.24	10.11	-46.81
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC[NH+]1CCSCC1	REAL300012529723	1	50	0.0	-75.12	402.22	7.89	-67.23
CC[C@H](C)[C@H](NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529724	1	45	0.0	-73.70	345.89	5.79	-67.91
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CCCC1	REAL300012529725	1	43	0.0	-76.71	329.80	5.86	-70.85
COC1=CC(CN(CC(=O)[O-])C(=O)NCC[NH+]2CCSCC2)=CC(OC)=C1	REAL300012529726	1	54	0.0	-61.15	431.49	8.20	-52.95
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC[NH+]1CCSCC1	REAL300012529727	1	46	0.0	-57.11	378.91	9.66	-47.45
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CC2=CC=CC=C2C1	REAL300012529728	1	47	0.0	-75.39	369.49	8.04	-67.35
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC(F)=CC=C1F	REAL300012529729	1	43	0.0	-75.67	362.54	7.00	-68.67
CC(NC(=O)NCC[NH+]1CCSCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012529730	1	46	0.0	-74.46	359.40	7.63	-66.83
CCCCCCC(C)(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529731	1	54	0.0	-73.02	405.71	8.24	-64.78
CN(C(=O)NCC[NH+]1CCSCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012529732	1	49	0.0	-73.48	382.58	9.71	-63.77
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC=C(Cl)C=C1	REAL300012529733	1	43	0.0	-71.89	368.44	7.36	-64.53
O=C([O-])C1COCCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529734	1	41	0.0	-79.88	316.56	5.41	-74.47
CN(C(=O)NCC[NH+]1CCSCC1)C1(C(=O)[O-])CCCCC1	REAL300012529735	1	49	0.0	-78.46	354.15	8.31	-70.15
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC[NH+]1CCSCC1	REAL300012529736	1	49	0.0	-60.04	394.91	10.38	-49.66
CN(C(=O)NCC[NH+]1CCSCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012529737	1	46	0.0	-77.38	360.84	9.12	-68.26
COCCN(CC(=O)[O-])C(=O)NCC[NH+]1CCSCC1	REAL300012529738	1	43	0.0	-59.61	344.88	5.77	-53.84
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CCC2=CC=CC=C21	REAL300012529739	1	47	0.0	-77.72	366.45	7.95	-69.77
O=C([O-])[C@H]1CCCCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529740	1	43	0.0	-81.23	325.16	7.75	-73.48
CC1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529741	1	43	0.0	-79.26	331.41	7.24	-72.02
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC[NH+]1CCSCC1	REAL300012529742	1	50	0.0	-81.67	407.46	7.80	-73.87
O=C([O-])C1CCCCCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529743	1	46	0.0	-81.34	338.29	8.34	-73.00
CCCCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529744	1	45	0.0	-74.04	358.58	6.32	-67.72
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC[NH+]1CCSCC1	REAL300012529745	1	49	0.0	-60.04	394.91	10.38	-49.66
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529746	1	43	0.0	-78.78	331.43	7.22	-71.56
O=C([O-])CN(C(=O)NCC[NH+]1CCSCC1)C1CCCC1	REAL300012529747	1	46	0.0	-58.00	349.84	8.16	-49.84
CCCCCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529748	1	48	0.0	-74.05	380.07	7.10	-66.95
CCC1CCC(NC(=O)NCC[NH+]2CCSCC2)(C(=O)[O-])CC1	REAL300012529749	1	52	0.0	-76.27	384.15	8.23	-68.04
O=C([O-])CN(C(=O)NCC[NH+]1CCSCC1)C1CCOCC1	REAL300012529750	1	47	0.0	-58.53	358.28	6.49	-52.04
CN(C(=O)NCC[NH+]1CCSCC1)C1(C(=O)[O-])CCCC1	REAL300012529751	1	46	0.0	-79.38	341.07	7.60	-71.78
CC(C(=O)[O-])N(C(=O)NCC[NH+]1CCSCC1)C1CC1	REAL300012529752	1	43	0.0	-63.11	331.71	7.30	-55.81
CCC(C(=O)[O-])N(C(=O)NCC[NH+]1CCSCC1)C1CC1	REAL300012529753	1	46	0.0	-73.90	347.15	8.23	-65.67
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC=CC=C1Cl	REAL300012529754	1	43	0.0	-76.85	363.64	7.27	-69.58
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC=CC=C1F	REAL300012529755	1	43	0.0	-79.66	355.31	6.94	-72.72
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529756	1	47	0.0	-63.38	366.29	9.30	-54.08
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NCC[NH+]1CCSCC1	REAL300012529757	1	46	0.0	-77.40	387.67	8.06	-69.34
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)NCC[NH+]1CCSCC1	REAL300012529758	1	52	0.0	-77.85	417.53	9.91	-67.94
O=C([O-])C(CC1CCCCC1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529759	1	52	0.0	-73.83	395.50	8.06	-65.77
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[NH+]1CCSCC1	REAL300012529760	1	49	0.0	-60.16	385.07	10.08	-50.08
CC1=CC=C(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])C=C1	REAL300012529761	1	46	0.0	-74.02	372.31	7.56	-66.46
O=C([O-])C(CC(F)(F)F)NC(=O)NCC[NH+]1CCSCC1	REAL300012529762	1	39	0.0	-67.70	330.68	5.50	-62.20
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC2=CC=CC=C2C=C1	REAL300012529763	1	49	0.0	-76.11	397.74	9.13	-66.98
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CCSCC1	REAL300012529764	1	44	0.0	-72.98	342.79	6.68	-66.30
COCC(C)(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529765	1	43	0.0	-77.28	337.96	4.44	-72.84
CCOCC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCSCC1	REAL300012529766	1	46	0.0	-72.52	357.20	6.28	-66.24
CC(C)CN(CC(=O)[O-])C(=O)NCC[NH+]1CCSCC1	REAL300012529767	1	45	0.0	-58.81	349.66	7.86	-50.95
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[NH+]1CCSCC1	REAL300012529768	1	52	0.0	-56.95	392.37	10.16	-46.79
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC[NH+]1CCSCC1	REAL300012529769	1	42	0.0	-59.57	353.14	7.73	-51.84
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CCOC1	REAL300012529770	1	41	0.0	-72.70	321.22	3.28	-69.42
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1CCCCC1	REAL300012529771	1	49	0.0	-74.61	368.65	7.06	-67.55
CN(C(=O)NCC[NH+]1CCSCC1)C(COC1CCC1)C(=O)[O-]	REAL300012529772	1	50	0.0	-73.15	385.26	7.66	-65.49
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC[NH+]1CCSCC1	REAL300012529773	1	50	0.0	-79.92	390.76	10.79	-69.13
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CCOCC1	REAL300012529774	1	44	0.0	-76.21	336.31	4.50	-71.71
C=CCCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529775	1	43	0.0	-72.93	349.06	6.12	-66.81
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[NH+]1CCSCC1	REAL300012529776	1	49	0.0	-51.72	380.40	10.61	-41.11
CCC(CC)(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529777	1	45	0.0	-73.80	336.39	6.04	-67.76
COC1=CC=C(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])C=C1	REAL300012529778	1	47	0.0	-75.03	381.20	6.14	-68.89
CCC(C)N(CC(=O)[O-])C(=O)NCC[NH+]1CCSCC1	REAL300012529779	1	45	0.0	-57.06	345.75	8.18	-48.88
CCC(COC)(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529780	1	46	0.0	-78.69	354.63	5.34	-73.35
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCSCC1	REAL300012529781	1	49	0.0	-73.00	377.47	7.03	-65.97
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CCS(=O)(=O)CC1	REAL300012529782	1	46	0.0	-78.99	361.43	2.99	-76.00
O=C([O-])C(CC1CC1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529783	1	43	0.0	-73.97	347.18	6.33	-67.64
COCCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529784	1	43	0.0	-74.55	349.25	3.84	-70.71
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCSCC1	REAL300012529785	1	48	0.0	-72.56	364.85	8.44	-64.12
O=C([O-])C(CC(F)F)NC(=O)NCC[NH+]1CCSCC1	REAL300012529786	1	39	0.0	-73.49	327.09	5.08	-68.41
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529787	1	49	0.0	-79.76	366.48	8.96	-70.80
CCCN(C(=O)NCC[NH+]1CCSCC1)C(C)C(=O)[O-]	REAL300012529788	1	45	0.0	-48.59	346.23	8.31	-40.28
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[NH+]1CCSCC1	REAL300012529789	1	49	0.0	-78.30	381.71	10.49	-67.81
CCC(NC(=O)NCC[NH+]1CCSCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012529790	1	49	0.0	-72.34	392.96	9.03	-63.31
CCC(NC(=O)NCC[NH+]1CCSCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012529791	1	49	0.0	-75.13	376.51	8.53	-66.60
COC1CCCC(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])C1	REAL300012529792	1	53	0.0	-79.53	401.77	5.98	-73.55
COC1(CC(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])CCC1	REAL300012529793	1	50	0.0	-75.45	387.30	5.83	-69.62
O=C([O-])CN(C(=O)NCC[NH+]1CCSCC1)C1CCOCC1	REAL300012529794	1	47	0.0	-58.53	358.28	6.49	-52.04
O=C([O-])CN(C(=O)NCC[NH+]1CCSCC1)C1CCCCC1	REAL300012529795	1	49	0.0	-58.34	367.23	8.86	-49.48
C[C@H]1CC[C@@](NC(=O)NCC[NH+]2CCSCC2)(C(=O)[O-])CC1	REAL300012529796	1	49	0.0	-79.61	356.23	7.09	-72.52
COC1=CC=CC(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])=C1	REAL300012529797	1	47	0.0	-76.75	380.61	6.17	-70.58
CC(CCF)(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529798	1	42	0.0	-70.13	326.30	5.29	-64.84
O=C([O-])C1C2=C(CCN1C(=O)NCC[NH+]1CCSCC1)OC=C2	REAL300012529799	1	44	0.0	-62.05	348.45	7.34	-54.71
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529800	1	40	0.0	-73.86	328.08	6.55	-67.31
COC1=CC=CC([C@H](NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])=C1	REAL300012529801	1	47	0.0	-76.43	380.40	6.17	-70.26
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC[NH+]2CCSCC2)C1	REAL300012529802	1	49	0.0	-81.16	380.31	8.53	-72.63
COC1=CC=CC(CC(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])=C1	REAL300012529803	1	50	0.0	-73.85	403.25	7.10	-66.75
CC1(C)CCCC(NC(=O)NCC[NH+]2CCSCC2)(C(=O)[O-])C1	REAL300012529804	1	52	0.0	-77.64	373.10	7.92	-69.72
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529805	1	49	0.0	-71.93	393.87	8.49	-63.44
CC(NC(=O)NCC[NH+]1CCSCC1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012529806	1	48	0.0	-79.11	387.62	8.30	-70.81
COC1CN(C(=O)NCC[NH+]2CCSCC2)C(C)(C(=O)[O-])C1	REAL300012529807	1	47	0.0	-76.28	364.24	6.27	-70.01
O=C([O-])C(CC1CCCOC1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529808	1	50	0.0	-72.75	386.72	5.67	-67.08
CC(C)(C)[C@H](NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529809	1	45	0.0	-73.92	345.50	5.97	-67.95
C=C(Cl)CC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529810	1	40	0.0	-74.90	344.84	5.83	-69.07
C=C(C)CC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529811	1	43	0.0	-74.04	349.43	5.97	-68.07
O=C([O-])C12CCC(CC1)N2C(=O)NCC[NH+]1CCSCC1	REAL300012529812	1	44	0.0	-86.98	335.92	8.14	-78.84
CC(CC1=CC=C(F)C=C1)(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529813	1	49	0.0	-72.57	383.54	8.04	-64.53
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529814	1	40	0.0	-73.95	327.92	6.55	-67.40
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529815	1	40	0.0	-77.76	321.37	6.48	-71.28
O=C([O-])C(CC1CCOCC1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529816	1	50	0.0	-75.89	387.04	5.59	-70.30
CC(C)C[C@H](NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529817	1	45	0.0	-73.54	353.82	6.19	-67.35
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1CCOCC1	REAL300012529818	1	47	0.0	-76.26	359.50	4.64	-71.62
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC=CC=C1	REAL300012529819	1	43	0.0	-74.31	351.11	6.88	-67.43
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012529820	1	46	0.0	-73.78	389.85	7.87	-65.91
O=C([O-])C(CC1CC1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529821	1	43	0.0	-73.97	347.18	6.33	-67.64
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529822	1	42	0.0	-72.29	360.34	4.97	-67.32
CC(C)CCCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529823	1	51	0.0	-74.11	397.64	7.61	-66.50
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529824	1	49	0.0	-77.57	403.28	8.26	-69.31
O=C([O-])C(CC1CCCO1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529825	1	47	0.0	-77.22	371.53	5.22	-72.00
CSCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529826	1	40	0.0	-70.36	338.37	5.22	-65.14
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529827	1	46	0.0	-72.81	380.17	7.92	-64.89
CCC(C)CC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529828	1	48	0.0	-73.55	371.68	6.75	-66.80
C=CCCCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529829	1	46	0.0	-72.74	370.56	6.90	-65.84
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529830	1	46	0.0	-73.77	380.36	7.86	-65.91
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC=CC2=CC=CC=C21	REAL300012529831	1	49	0.0	-78.23	392.49	9.03	-69.20
O=C([O-])C1CSCCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529832	1	41	0.0	-80.60	325.28	7.82	-72.78
CC(NC(=O)NCC[NH+]1CCSCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012529833	1	46	0.0	-74.46	359.40	7.63	-66.83
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC[NH+]1CCSCC1	REAL300012529834	1	44	0.0	-84.88	335.94	8.27	-76.61
CCN(C(=O)NCC[NH+]1CCSCC1)C(C)(C)C(=O)[O-]	REAL300012529835	1	45	0.0	-75.53	340.26	7.62	-67.91
CCCN(C(=O)NCC[NH+]1CCSCC1)C(C)C(=O)[O-]	REAL300012529836	1	45	0.0	-48.59	346.23	8.31	-40.28
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[NH+]1CCSCC1	REAL300012529837	1	39	0.0	-69.54	328.12	7.10	-62.44
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[NH+]1CCSCC1	REAL300012529838	1	39	0.0	-69.54	328.12	7.10	-62.44
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC[NH+]1CCSCC1	REAL300012529839	1	52	0.0	-59.23	401.65	5.07	-54.16
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529840	1	41	0.0	-82.23	326.17	3.00	-79.23
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCN2CCSCC2)CC1	REAL300012529841	0	56	0.0	-62.46	427.93	5.18	-57.28
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[NH+]1CCSCC1	REAL300012529842	1	47	0.0	-53.12	369.91	9.63	-43.49
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC[NH+]2CCSCC2)[C@H]1C(=O)[O-]	REAL300012529843	1	50	0.0	-63.07	378.52	9.93	-53.14
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529844	1	48	0.0	-73.00	371.08	8.01	-64.99
O=C([O-])[C@H](NC(=O)NCC[NH+]1CCSCC1)C1=CC=CC=C1	REAL300012529845	1	43	0.0	-74.17	351.51	6.93	-67.24
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300012529846	1	46	0.0	-70.41	389.64	7.89	-62.52
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529847	1	48	0.0	-75.95	391.86	6.81	-69.14
C=CCCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529848	1	43	0.0	-72.93	349.06	6.12	-66.81
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529849	1	42	0.0	-76.19	360.29	4.85	-71.34
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCC[NH+]1CCSCC1	REAL300012529850	1	43	0.0	-70.29	379.21	6.60	-63.69
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529851	1	43	0.0	-89.58	344.66	4.27	-85.31
CN1CC(C(=O)[O-])N(C(=O)NCC[NH+]2CCSCC2)CC1=O	REAL300012529852	1	44	0.0	-74.49	342.39	5.95	-68.54
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529853	1	43	0.0	-79.18	331.23	7.25	-71.93
O=C([O-])[C@@H](NC(=O)NCC[NH+]1CCSCC1)C1=CC=CC=C1	REAL300012529854	1	43	0.0	-74.30	351.11	6.88	-67.42
CC(CN1C=CC=N1)(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529855	1	46	0.0	-75.92	361.18	6.18	-69.74
O=C([O-])CN(C(=O)NCC[NH+]1CCSCC1)C1CCCC1	REAL300012529856	1	46	0.0	-58.00	349.84	8.16	-49.84
CC[C@H](C)[C@H](NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529857	1	45	0.0	-73.70	345.89	5.79	-67.91
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CC(CO)C1	REAL300012529858	1	44	0.0	-77.60	348.76	2.78	-74.82
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529859	1	52	0.0	-74.80	398.06	6.12	-68.68
CC1CCC(NC(=O)NCC[NH+]2CCSCC2)(C(=O)[O-])C1	REAL300012529860	1	46	0.0	-76.53	351.64	6.52	-70.01
CC1(C)CCCC1(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529861	1	49	0.0	-76.22	361.12	7.24	-68.98
COCCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529862	1	43	0.0	-74.55	349.25	3.84	-70.71
CN(C(=O)NCC[NH+]1CCSCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012529863	1	49	0.0	-73.48	382.58	9.71	-63.77
CC1(C)CC(NC(=O)NCC[NH+]2CCSCC2)(C(=O)[O-])C1	REAL300012529864	1	46	0.0	-78.12	352.70	7.19	-70.93
CC1CCC(NC(=O)NCC[NH+]2CCSCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012529865	1	53	0.0	-76.90	400.15	9.20	-67.70
CC1(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])CC1	REAL300012529866	1	43	0.0	-75.04	337.03	6.12	-68.92
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529867	1	52	0.0	-74.48	399.00	6.10	-68.38
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529868	1	41	0.0	-84.73	325.03	3.17	-81.56
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529869	1	51	0.0	-62.26	393.72	10.42	-51.84
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1CCOC1	REAL300012529870	1	44	0.0	-71.28	345.67	3.80	-67.48
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC[NH+]1CCSCC1	REAL300012529871	1	44	0.0	-83.38	336.08	7.82	-75.56
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CNC2=CC=CC=C12	REAL300012529872	1	47	0.0	-81.43	383.27	6.92	-74.51
O=C([O-])C12COC(CN1C(=O)NCC[NH+]1CCSCC1)C2	REAL300012529873	1	42	0.0	-80.75	328.76	5.51	-75.24
CC1CCC(C(=O)[O-])N(C(=O)NCC[NH+]2CCSCC2)C1	REAL300012529874	1	46	0.0	-81.51	346.45	8.50	-73.01
CC(C1=CC=CC=C1)C(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529875	1	49	0.0	-75.41	380.87	7.88	-67.53
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529876	1	50	0.0	-73.22	383.56	8.64	-64.58
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1CCC1	REAL300012529877	1	43	0.0	-74.51	335.71	5.66	-68.85
CC1(C)CC(NC(=O)NCC[NH+]2CCSCC2)(C(=O)[O-])CC(C)(C)O1	REAL300012529878	1	56	0.0	-75.49	408.96	7.55	-67.94
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1CCCCC1	REAL300012529879	1	49	0.0	-74.61	368.65	7.06	-67.55
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1CCC1	REAL300012529880	1	43	0.0	-74.51	335.71	5.66	-68.85
CC1CCN(C(=O)NCC[NH+]2CCSCC2)C1C(=O)[O-]	REAL300012529881	1	43	0.0	-80.26	330.31	6.86	-73.40
O=C([O-])C(CC1CCCCO1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529882	1	50	0.0	-77.06	388.95	5.97	-71.09
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC[NH+]1CCSCC1	REAL300012529883	1	50	0.0	-50.94	361.32	8.50	-42.44
CC1(C)CC(NC(=O)NCC[NH+]2CCSCC2)(C(=O)[O-])CCO1	REAL300012529884	1	50	0.0	-77.61	365.41	5.80	-71.81
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)NCC[NH+]1CCSCC1	REAL300012529885	1	49	0.0	-75.59	412.19	9.06	-66.53
CC1=CC=CC2=C1CCN(C(=O)NCC[NH+]1CCSCC1)C2C(=O)[O-]	REAL300012529886	1	50	0.0	-61.76	384.03	9.83	-51.93
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC[NH+]1CCSCC1	REAL300012529887	1	44	0.0	-52.29	337.35	7.71	-44.58
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529888	1	50	0.0	-73.22	383.56	8.64	-64.58
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529889	1	46	0.0	-76.93	379.95	7.93	-69.00
COC1CC(NC(=O)NCC[NH+]2CCSCC2)(C(=O)[O-])C1	REAL300012529890	1	44	0.0	-73.54	348.11	4.36	-69.18
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CC(F)(F)C1	REAL300012529891	1	40	0.0	-76.04	325.13	5.52	-70.52
CO[C@H]1C[C@](NC(=O)NCC[NH+]2CCSCC2)(C(=O)[O-])C1	REAL300012529892	1	44	0.0	-74.58	348.62	4.75	-69.83
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1(C(F)(F)F)CC1	REAL300012529893	1	43	0.0	-77.12	356.49	6.58	-70.54
CCC1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529894	1	46	0.0	-79.82	347.03	8.39	-71.43
O=C([O-])C(CC(F)(F)F)NC(=O)NCC[NH+]1CCSCC1	REAL300012529895	1	39	0.0	-67.70	330.68	5.50	-62.20
O=C([O-])C(CC1CCOC1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529896	1	47	0.0	-76.30	369.38	4.79	-71.51
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529897	1	43	0.0	-74.51	365.05	6.87	-67.64
COCC(NC(=O)NCC[NH+]1CCSCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012529898	1	50	0.0	-73.33	392.72	6.85	-66.48
CC(C)C(C)(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529899	1	45	0.0	-73.23	336.45	5.83	-67.40
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529900	1	44	0.0	-80.83	337.58	7.45	-73.38
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[NH+]1CCSCC1	REAL300012529901	1	49	0.0	-78.30	381.71	10.49	-67.81
O=C([O-])C(CC1CCCCC1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529902	1	52	0.0	-73.83	395.50	8.06	-65.77
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529903	1	49	0.0	-75.29	396.98	8.56	-66.73
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529904	1	49	0.0	-74.84	396.98	8.57	-66.27
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1CC2CCC1C2	REAL300012529905	1	50	0.0	-74.27	376.02	7.44	-66.83
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529906	1	52	0.0	-74.17	395.48	8.07	-66.10
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529907	1	52	0.0	-73.82	395.50	8.06	-65.76
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529908	1	50	0.0	-52.75	376.00	8.66	-44.09
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529909	1	50	0.0	-81.82	371.61	8.47	-73.35
COC1=CC=C(CC(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])C=C1	REAL300012529910	1	50	0.0	-76.15	403.50	7.10	-69.05
C=CCSCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529911	1	44	0.0	-70.32	372.65	6.68	-63.64
N#CC1=CC=C(CC(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])C=C1	REAL300012529912	1	47	0.0	-74.89	394.83	8.19	-66.70
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)NCC[NH+]1CCSCC1	REAL300012529913	1	50	0.0	-88.25	413.64	7.79	-80.46
CCC(C(=O)[O-])N(CC)C(=O)NCC[NH+]1CCSCC1	REAL300012529914	1	45	0.0	-75.16	342.25	8.26	-66.90
COC1(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])CCC1	REAL300012529915	1	47	0.0	-70.63	363.27	4.47	-66.16
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CCC(C(F)F)CC1	REAL300012529916	1	49	0.0	-77.78	377.50	7.81	-69.97
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CCC2=CC=CC=C2C1	REAL300012529917	1	50	0.0	-76.36	382.81	8.92	-67.44
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CC(C(F)F)C1	REAL300012529918	1	43	0.0	-73.30	350.46	6.39	-66.91
CC(C)(C)C1=CC=C(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])C=C1	REAL300012529920	1	55	0.0	-74.77	427.92	9.17	-65.60
CC(C)C1=CC=C(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])C=C1	REAL300012529921	1	52	0.0	-74.18	411.98	8.79	-65.39
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529922	1	40	0.0	-77.76	321.37	6.48	-71.28
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC[NH+]1CCSCC1	REAL300012529923	1	42	0.0	-52.78	329.50	7.57	-45.21
CC1(C)CCN(C(=O)NCC[NH+]2CCSCC2)C1C(=O)[O-]	REAL300012529924	1	46	0.0	-83.82	347.81	7.05	-76.77
CCOC1=CC=C(C(NC(=O)NCC[NH+]2CCSCC2)C(=O)[O-])C=C1	REAL300012529925	1	50	0.0	-74.82	403.06	7.07	-67.75
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529926	1	50	0.0	-81.20	370.66	9.37	-71.83
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1CCC2=CC=CC=C21	REAL300012529927	1	50	0.0	-74.64	393.66	8.86	-65.78
CC(COC1=CC=CC=C1)(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529928	1	50	0.0	-78.84	394.17	7.89	-70.95
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCC[NH+]1CCSCC1	REAL300012529929	1	46	0.0	-77.58	387.13	7.79	-69.79
CC(C)CCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529930	1	48	0.0	-73.43	375.31	6.85	-66.58
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529931	1	47	0.0	-52.08	361.21	8.18	-43.90
O=C([O-])C(CC1CCOC1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529932	1	47	0.0	-76.30	369.38	4.79	-71.51
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[NH+]2CCSCC2)C1	REAL300012529933	1	44	0.0	-77.50	357.40	7.88	-69.62
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CCCC2CC21	REAL300012529934	1	47	0.0	-78.47	350.73	7.64	-70.83
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CCC2CC21	REAL300012529935	1	44	0.0	-78.65	338.07	6.72	-71.93
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CC2(CCC2)C1	REAL300012529936	1	47	0.0	-75.85	359.33	7.11	-68.74
CN(C(=O)NCC[NH+]1CCSCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012529937	1	49	0.0	-73.47	382.57	9.71	-63.76
O=C([O-])C1CC2(CN1C(=O)NCC[NH+]1CCSCC1)CCCCC2	REAL300012529938	1	53	0.0	-51.93	390.27	9.16	-42.77
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1CCCC1	REAL300012529939	1	46	0.0	-73.86	351.74	6.36	-67.50
CO[C@H](C)[C@H](NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529940	1	43	0.0	-75.30	345.58	4.02	-71.28
CC1[C@@H](C)[C@@]1(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529941	1	43	0.0	-79.26	338.59	6.52	-72.74
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC[NH+]1CCSCC1	REAL300012529942	1	46	0.0	-58.73	372.51	9.59	-49.14
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012529943	1	53	0.0	-75.43	425.90	10.25	-65.18
CC1(C)CC(C(=O)[O-])N(C(=O)NCC[NH+]2CCSCC2)C1	REAL300012529944	1	46	0.0	-53.03	353.99	7.49	-45.54
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529945	1	47	0.0	-58.34	378.00	9.38	-48.96
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529946	1	43	0.0	-80.34	336.48	7.82	-72.52
O=C([O-])C1N(C(=O)NCC[NH+]2CCSCC2)CCC1(F)F	REAL300012529947	1	40	0.0	-83.40	325.79	6.83	-76.57
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529948	1	46	0.0	-76.93	379.95	7.93	-69.00
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529949	1	43	0.0	-73.50	364.39	6.80	-66.70
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529950	1	43	0.0	-73.20	343.52	7.36	-65.84
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CC2(CC(F)(F)C2)C1	REAL300012529951	1	47	0.0	-77.60	378.55	7.53	-70.07
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529952	1	51	0.0	-78.25	402.38	9.17	-69.08
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529953	1	43	0.0	-73.50	364.39	6.80	-66.70
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529954	1	47	0.0	-81.78	352.77	8.07	-73.71
COCCCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529955	1	46	0.0	-73.43	370.75	4.61	-68.82
CCCC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCSCC1	REAL300012529956	1	45	0.0	-72.42	347.50	7.54	-64.88
CCOCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529957	1	43	0.0	-75.16	348.80	3.98	-71.18
CC(C)(C)CC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529958	1	48	0.0	-74.42	366.25	7.18	-67.24
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C1CCCCO1	REAL300012529959	1	47	0.0	-77.06	366.82	5.34	-71.72
O=C([O-])C1(NC(=O)NCC[NH+]2CCSCC2)CC2=CC=CC=C2C1	REAL300012529960	1	47	0.0	-75.39	369.49	8.04	-67.35
C[C@H]1OCCN(C(=O)NCC[NH+]2CCSCC2)[C@@H]1C(=O)[O-]	REAL300012529961	1	44	0.0	-84.13	334.67	5.97	-78.16
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCC[NH+]1CCSCC1	REAL300012529962	1	46	0.0	-76.73	357.04	7.69	-69.04
N#CCCC(NC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300012529963	1	40	0.0	-76.35	336.43	5.28	-71.07
O=C([O-])C(NC(=O)NCC[NH+]1CCSCC1)C12CC3CC(CC(C3)C1)C2	REAL300012529964	1	57	0.0	-78.83	408.12	8.89	-69.94
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCC[NH+]1CCSCC1	REAL300012529965	1	49	0.0	-78.41	403.71	8.05	-70.36
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC[NH+]1CCSCC1	REAL300012529966	1	43	0.0	-59.73	354.17	7.73	-52.00
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCC[NH+]1CCSCC1	REAL300012529967	1	54	0.0	-80.54	387.44	8.28	-72.26
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCC[NH+]1CCSCC1	REAL300012529968	1	45	0.0	-75.71	385.83	6.44	-69.27
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[NH+]2CCSCC2)C1	REAL300012529969	1	47	0.0	-79.77	369.97	6.36	-73.41
CC1=NN(C)C(C)=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012530097	0	56	0.0	-64.35	432.04	6.14	-58.21
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2=CC=CC=C2F)CC1	REAL300012530537	0	54	0.0	-68.93	422.09	6.87	-62.06
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C3OCCOC3=C2)CC1	REAL300012530840	0	56	0.0	-65.02	435.69	6.57	-58.45
CN1C2=CC=CC=C2N=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012531227	0	56	0.0	-71.76	437.59	7.75	-64.01
COC1=CC=C(OCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012531819	0	58	0.0	-64.46	445.37	6.08	-58.38
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(O)C=C2)CC1	REAL300012532057	0	51	0.0	-64.39	402.20	4.57	-59.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=C(O)C=C2)CC1	REAL300012532283	0	54	0.0	-60.79	418.49	5.10	-55.69
CC(C)C[C@H](NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532420	0	50	0.0	-80.41	393.86	8.06	-72.35
C=CCOCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532421	0	49	0.0	-81.37	401.28	6.55	-74.82
C=CC(C)C(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532422	0	48	0.0	-73.13	385.23	7.93	-65.20
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300012532423	0	52	0.0	-78.25	399.70	6.55	-71.70
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300012532424	0	48	0.0	-74.85	403.45	8.99	-65.86
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300012532425	0	48	0.0	-74.72	413.28	9.44	-65.28
COC1CCN(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(C(=O)[O-])C1	REAL300012532426	0	52	0.0	-86.88	397.18	8.68	-78.20
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)=C1	REAL300012532427	0	52	0.0	-74.07	399.62	6.60	-67.47
CC1CCN(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(C(=O)[O-])C1	REAL300012532428	0	51	0.0	-89.27	379.37	10.32	-78.95
CC1=CC(C(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])=CC=C1F	REAL300012532429	0	51	0.0	-77.34	417.80	9.63	-67.71
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300012532430	0	53	0.0	-76.93	427.22	8.70	-68.23
CC1=CC(C(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])=CC(C)=C1	REAL300012532431	0	54	0.0	-78.10	434.16	10.16	-67.94
CC1=CC=C(C(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C=C1C	REAL300012532432	0	54	0.0	-82.35	429.76	10.05	-72.30
CC1=CC=CC(C(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])=C1C	REAL300012532433	0	54	0.0	-77.38	424.18	9.97	-67.41
COC1=CC=C(C(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C=C1F	REAL300012532434	0	52	0.0	-79.05	427.06	8.22	-70.83
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532435	0	47	0.0	-69.22	374.64	9.34	-59.88
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C1CCC1	REAL300012532436	0	51	0.0	-62.03	387.69	9.74	-52.29
CCCN(C(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(COC)C(=O)[O-]	REAL300012532437	0	54	0.0	-79.98	416.46	10.28	-69.70
CCCN(C(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(CC)C(=O)[O-]	REAL300012532438	0	53	0.0	-77.81	401.64	10.37	-67.44
CC(C)C(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532439	0	47	0.0	-74.45	366.60	7.18	-67.27
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCCCC2C(=O)[O-])=C1	REAL300012532440	0	48	0.0	-88.92	365.24	9.96	-78.96
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300012532441	0	48	0.0	-77.33	408.02	9.37	-67.96
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCSCC2C(=O)[O-])=C1	REAL300012532442	0	46	0.0	-83.62	365.07	9.81	-73.81
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300012532443	0	51	0.0	-79.12	384.67	8.98	-70.14
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCCC2C(=O)[O-])=C1	REAL300012532444	0	45	0.0	-86.57	353.93	8.68	-77.89
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300012532445	0	48	0.0	-79.22	370.21	7.89	-71.33
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300012532446	0	54	0.0	-79.59	390.33	9.66	-69.93
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012532447	0	51	0.0	-76.17	413.40	9.84	-66.33
C[NH+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012532448	0	51	0.0	-69.59	412.07	11.60	-57.99
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012532449	0	48	0.0	-77.11	391.33	8.85	-68.26
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012532450	0	48	0.0	-80.90	390.68	8.87	-72.03
CC(C)C(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532451	0	47	0.0	-74.45	366.60	7.18	-67.27
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012532452	0	51	0.0	-76.17	413.40	9.84	-66.33
CCC(C)C(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532453	0	50	0.0	-81.35	390.19	7.97	-73.38
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCCCC2C(=O)[O-])=C1	REAL300012532454	0	48	0.0	-88.92	365.24	9.96	-78.96
CCCC(C)(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532455	0	50	0.0	-80.83	380.79	7.91	-72.92
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532456	0	47	0.0	-69.93	363.21	8.87	-61.06
C[NH+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300012532457	0	45	0.0	-74.78	358.04	8.98	-65.80
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532458	0	45	0.0	-68.98	365.90	9.16	-59.82
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532459	0	50	0.0	-69.28	389.24	9.87	-59.41
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300012532460	0	52	0.0	-87.65	402.86	11.84	-75.81
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300012532461	0	48	0.0	-76.93	368.79	7.89	-69.04
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)=C1	REAL300012532462	0	45	0.0	-79.42	382.92	7.92	-71.50
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300012532463	0	51	0.0	-79.12	384.67	8.98	-70.14
C[NH+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=C1	REAL300012532464	0	51	0.0	-66.70	428.81	12.12	-54.58
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532465	0	47	0.0	-69.93	363.21	8.87	-61.06
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532466	0	47	0.0	-69.22	374.64	9.34	-59.88
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300012532467	0	55	0.0	-84.03	442.68	9.86	-74.17
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532468	0	50	0.0	-80.98	386.39	7.74	-73.24
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300012532469	0	48	0.0	-79.22	370.21	7.89	-71.33
C[NH+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1	REAL300012532470	0	51	0.0	-66.73	418.49	11.67	-55.06
CCC(C)(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532471	0	47	0.0	-80.55	359.35	7.13	-73.42
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=C1	REAL300012532472	0	52	0.0	-79.19	409.27	10.03	-69.16
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300012532473	0	48	0.0	-81.36	402.12	9.00	-72.36
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012532474	0	51	0.0	-82.45	399.17	9.61	-72.84
CCCCCCC(C)(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532475	0	59	0.0	-81.12	445.34	10.22	-70.90
CN(C(=O)NCC1=CC(C[NH+](C)C)=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012532476	0	54	0.0	-73.08	422.21	11.71	-61.37
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300012532477	0	48	0.0	-77.33	408.02	9.37	-67.96
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCOCC2C(=O)[O-])=C1	REAL300012532478	0	46	0.0	-84.19	356.43	7.29	-76.90
CN(C(=O)NCC1=CC(C[NH+](C)C)=CC=C1)C1(C(=O)[O-])CCCCC1	REAL300012532479	0	54	0.0	-86.77	393.93	10.29	-76.48
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300012532480	0	45	0.0	-76.30	361.54	7.26	-69.04
C[NH+](C)CC1=CC=CC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300012532481	0	54	0.0	-70.24	434.49	12.38	-57.86
CN(C(=O)NCC1=CC(C[NH+](C)C)=CC=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012532482	0	51	0.0	-81.93	401.07	11.11	-70.82
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532483	0	48	0.0	-69.79	384.46	7.78	-62.01
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=C1	REAL300012532484	0	52	0.0	-87.44	406.00	9.91	-77.53
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300012532485	0	45	0.0	-87.05	354.69	8.36	-78.69
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300012532486	0	48	0.0	-88.48	364.97	9.86	-78.62
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300012532487	0	45	0.0	-81.88	354.64	8.39	-73.49
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300012532488	0	45	0.0	-85.12	356.40	7.47	-77.65
C=CCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532489	0	45	0.0	-79.06	367.69	7.22	-71.84
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300012532490	0	48	0.0	-86.89	371.04	9.23	-77.66
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300012532491	0	55	0.0	-83.14	447.53	9.73	-73.41
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCCCCC2C(=O)[O-])=C1	REAL300012532492	0	51	0.0	-89.32	378.08	10.33	-78.99
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300012532493	0	45	0.0	-76.30	361.54	7.26	-69.04
CCCCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532494	0	50	0.0	-79.79	398.15	8.32	-71.47
C[NH+](C)CC1=CC=CC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300012532495	0	54	0.0	-70.24	434.49	12.38	-57.86
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300012532496	0	48	0.0	-86.91	371.05	9.22	-77.69
C[NH+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300012532497	0	51	0.0	-68.86	389.47	10.16	-58.70
COCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532498	0	45	0.0	-81.58	367.07	5.01	-76.57
CCCCCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532499	0	53	0.0	-79.39	418.82	9.11	-70.28
CCC1CCC(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)(C(=O)[O-])CC1	REAL300012532500	0	57	0.0	-78.98	423.74	10.23	-68.75
C[NH+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)=C1	REAL300012532501	0	52	0.0	-69.30	397.90	8.49	-60.81
CN(C(=O)NCC1=CC(C[NH+](C)C)=CC=C1)C1(C(=O)[O-])CCCC1	REAL300012532502	0	51	0.0	-87.53	380.61	9.59	-77.94
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C1CC1	REAL300012532503	0	48	0.0	-69.28	371.54	9.17	-60.11
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C1CC1	REAL300012532504	0	51	0.0	-60.66	392.19	10.29	-50.37
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300012532505	0	48	0.0	-82.93	403.28	9.27	-73.66
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300012532506	0	48	0.0	-86.80	395.72	8.94	-77.86
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300012532507	0	52	0.0	-64.27	406.29	11.27	-53.00
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300012532508	0	51	0.0	-85.33	428.30	10.04	-75.29
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300012532509	0	57	0.0	-81.00	435.54	9.98	-71.02
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532510	0	54	0.0	-68.12	424.32	12.21	-55.91
CC1=CC=C(C(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300012532511	0	51	0.0	-77.24	412.75	9.51	-67.73
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012532512	0	44	0.0	-73.19	370.25	7.50	-65.69
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300012532513	0	54	0.0	-78.48	437.04	11.19	-67.29
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCSCC2)=C1	REAL300012532514	0	49	0.0	-75.23	382.37	8.67	-66.56
COCC(C)(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532515	0	48	0.0	-84.61	377.54	6.44	-78.17
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532516	0	51	0.0	-76.33	397.79	8.25	-68.08
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532517	0	50	0.0	-69.28	389.24	9.87	-59.41
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532518	0	57	0.0	-67.00	440.21	12.92	-54.08
C[NH+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300012532519	0	45	0.0	-74.78	358.04	8.98	-65.80
C[NH+](C)CC1=CC=CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300012532520	0	47	0.0	-68.81	392.77	9.72	-59.09
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300012532521	0	46	0.0	-75.26	360.68	5.29	-69.97
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)=C1	REAL300012532522	0	54	0.0	-76.23	408.28	9.05	-67.18
CN(C(=O)NCC1=CC(C[NH+](C)C)=CC=C1)C(COC1CCC1)C(=O)[O-]	REAL300012532523	0	55	0.0	-77.60	423.91	9.55	-68.05
C[NH+](C)CC1=CC=CC(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)=C1	REAL300012532524	0	55	0.0	-91.16	429.29	12.95	-78.21
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300012532525	0	49	0.0	-78.01	376.09	6.50	-71.51
C=CCCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532526	0	48	0.0	-78.92	388.63	8.11	-70.81
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532527	0	54	0.0	-57.97	421.81	12.62	-45.35
CCC(CC)(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532528	0	50	0.0	-81.95	375.97	8.04	-73.91
COC1=CC=C(C(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300012532529	0	52	0.0	-80.48	420.18	8.17	-72.31
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532530	0	50	0.0	-67.92	386.22	10.08	-57.84
CCC(COC)(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532531	0	51	0.0	-86.25	394.27	7.32	-78.93
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532532	0	54	0.0	-76.94	418.07	9.01	-67.93
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)=C1	REAL300012532533	0	51	0.0	-79.63	401.20	4.98	-74.65
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300012532534	0	48	0.0	-79.59	386.53	8.38	-71.21
COCCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532535	0	48	0.0	-79.83	388.83	5.83	-74.00
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532536	0	53	0.0	-77.26	404.34	10.36	-66.90
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC(F)F)C(=O)[O-])=C1	REAL300012532537	0	44	0.0	-78.51	367.50	7.06	-71.45
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532538	0	54	0.0	-83.89	405.76	11.20	-72.69
CCCN(C(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(C)C(=O)[O-]	REAL300012532539	0	50	0.0	-71.17	384.30	9.30	-61.87
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532540	0	54	0.0	-56.76	423.63	12.64	-44.12
CCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012532541	0	54	0.0	-78.89	416.14	10.51	-68.38
COC1CCCC(C(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C1	REAL300012532542	0	58	0.0	-80.59	441.41	7.97	-72.62
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CCF)C(=O)[O-])=C1	REAL300012532543	0	44	0.0	-78.18	361.80	6.90	-71.28
COC1(CC(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])CCC1	REAL300012532544	0	55	0.0	-77.62	426.90	7.78	-69.84
C[NH+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)=C1	REAL300012532545	0	52	0.0	-69.30	397.90	8.49	-60.81
C[NH+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)=C1	REAL300012532546	0	54	0.0	-60.67	406.80	10.87	-49.80
C[C@H]1CC[C@@](NC(=O)NCC2=CC(C[NH+](C)C)=CC=C2)(C(=O)[O-])CC1	REAL300012532547	0	54	0.0	-85.24	398.52	9.36	-75.88
COC1=CC=CC(C(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])=C1	REAL300012532548	0	52	0.0	-83.18	420.24	8.15	-75.03
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C)(CCF)C(=O)[O-])=C1	REAL300012532549	0	47	0.0	-77.24	365.88	7.28	-69.96
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=C1	REAL300012532550	0	49	0.0	-66.29	388.65	9.47	-56.82
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])=C1	REAL300012532551	0	45	0.0	-75.81	367.66	8.53	-67.28
COC1=CC=CC([C@H](NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])=C1	REAL300012532552	0	52	0.0	-83.48	420.84	8.12	-75.36
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C1	REAL300012532553	0	54	0.0	-83.22	421.13	9.71	-73.51
COC1=CC=CC(CC(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])=C1	REAL300012532554	0	55	0.0	-81.12	442.80	9.14	-71.98
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=C1	REAL300012532555	0	57	0.0	-80.31	412.64	9.85	-70.46
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300012532556	0	46	0.0	-87.07	358.97	9.32	-77.75
COC1CN(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(C)(C(=O)[O-])C1	REAL300012532557	0	52	0.0	-80.55	404.31	8.21	-72.34
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])=C1	REAL300012532558	0	55	0.0	-75.42	426.55	7.61	-67.81
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300012532559	0	50	0.0	-80.74	385.28	7.95	-72.79
C=C(Cl)CC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532560	0	45	0.0	-80.10	384.42	7.82	-72.28
C=C(C)CC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532561	0	48	0.0	-79.63	388.23	7.98	-71.65
C[NH+](C)CC1=CC=CC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300012532562	0	49	0.0	-92.24	376.07	10.12	-82.12
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012532563	0	54	0.0	-75.12	423.18	10.04	-65.08
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300012532564	0	45	0.0	-74.62	366.85	8.85	-65.77
C[NH+](C)CC1=CC=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300012532565	0	45	0.0	-84.00	360.42	8.77	-75.23
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C1	REAL300012532566	0	46	0.0	-86.75	368.09	8.77	-77.98
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300012532567	0	55	0.0	-75.60	426.38	7.64	-67.96
CC(C)C[C@H](NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532568	0	50	0.0	-80.41	393.86	8.06	-72.35
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300012532569	0	52	0.0	-78.25	399.70	6.55	-71.70
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012532570	0	48	0.0	-80.90	390.68	8.87	-72.03
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300012532571	0	48	0.0	-79.59	386.53	8.38	-71.21
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])=C1	REAL300012532572	0	47	0.0	-75.46	400.33	6.92	-68.54
CC(C)CCCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532573	0	56	0.0	-79.44	436.44	9.62	-69.82
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=C1	REAL300012532574	0	54	0.0	-84.15	442.81	10.31	-73.84
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])=C1	REAL300012532575	0	52	0.0	-79.32	411.11	7.22	-72.10
CSCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532576	0	45	0.0	-77.22	378.62	7.19	-70.03
COC[C@H](NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532577	0	45	0.0	-81.50	366.88	5.05	-76.45
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012532578	0	51	0.0	-74.05	419.76	9.92	-64.13
CCC(C)CC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532579	0	53	0.0	-80.36	412.14	8.72	-71.64
C=CCCCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532580	0	51	0.0	-79.44	411.02	8.87	-70.57
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012532581	0	51	0.0	-78.59	419.16	9.86	-68.73
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300012532582	0	54	0.0	-85.61	432.07	10.98	-74.63
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCSCC2C(=O)[O-])=C1	REAL300012532583	0	46	0.0	-83.62	365.07	9.81	-73.81
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012532584	0	51	0.0	-82.45	399.17	9.61	-72.84
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300012532585	0	45	0.0	-87.05	354.69	8.36	-78.69
CCCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532586	0	47	0.0	-79.86	376.71	7.53	-72.33
CC(C)[C@@H](NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532587	0	47	0.0	-74.06	370.28	7.38	-66.68
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=C1	REAL300012532588	0	49	0.0	-91.48	375.56	10.23	-81.25
CCN(C(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(C)(C)C(=O)[O-]	REAL300012532589	0	50	0.0	-78.75	379.89	9.52	-69.23
CCCN(C(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(C)C(=O)[O-]	REAL300012532590	0	50	0.0	-71.17	384.30	9.30	-61.87
C[NH+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=C1	REAL300012532591	0	44	0.0	-70.77	367.70	9.10	-61.67
C[NH+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=C1	REAL300012532592	0	44	0.0	-70.77	367.70	9.10	-61.67
CN(C(=O)NCC1=CC(C[NH+](C)C)=CC=C1)C(C)(C)C(=O)[O-]	REAL300012532593	0	47	0.0	-78.75	360.44	8.65	-70.10
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300012532594	0	45	0.0	-81.88	354.64	8.39	-73.49
C[NH+](C)CC1=CC=CC(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])=C1	REAL300012532595	0	57	0.0	-69.81	441.42	7.07	-62.74
C[NH+](C)CC1=CC=CC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=C1	REAL300012532596	0	46	0.0	-83.73	365.93	4.98	-78.75
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC(C[NH+](C)C)=CC=C2)CC1	REAL300012532597	1	61	0.0	-69.77	466.62	6.95	-62.82
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532598	0	52	0.0	-68.48	408.20	11.72	-56.76
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)[C@H]1C(=O)[O-]	REAL300012532599	0	55	0.0	-72.33	417.78	11.84	-60.49
CCC[C@@H](NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532600	0	47	0.0	-74.27	376.41	7.60	-66.67
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300012532601	0	53	0.0	-79.38	411.06	9.99	-69.39
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012532602	0	48	0.0	-77.11	391.33	8.85	-68.26
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=C1	REAL300012532603	0	53	0.0	-76.36	431.49	8.79	-67.57
C=CCCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532604	0	48	0.0	-78.92	388.63	8.11	-70.81
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300012532605	0	47	0.0	-77.41	399.92	6.84	-70.57
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300012532606	0	48	0.0	-75.32	418.79	8.60	-66.72
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])=C1	REAL300012532607	0	48	0.0	-92.76	384.43	6.25	-86.51
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC(C[NH+](C)C)=CC=C2)CC1=O	REAL300012532608	0	49	0.0	-78.78	382.18	7.94	-70.84
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300012532609	0	48	0.0	-81.11	371.01	9.24	-71.87
CC(C)[C@H](NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532610	0	47	0.0	-80.31	367.90	7.09	-73.22
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012532611	0	48	0.0	-80.91	390.68	8.87	-72.04
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=C1	REAL300012532612	0	51	0.0	-79.25	400.78	8.17	-71.08
CCC[C@H](NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532613	0	47	0.0	-79.87	376.71	7.53	-72.34
CCN(C(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(C)C(=O)[O-]	REAL300012532614	0	47	0.0	-76.57	364.13	8.70	-67.87
C[NH+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300012532615	0	51	0.0	-68.86	389.47	10.16	-58.70
CC(CN(C)C(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532616	0	47	0.0	-75.49	365.56	8.24	-67.25
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532617	0	50	0.0	-80.98	386.39	7.74	-73.24
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532618	0	47	0.0	-75.93	365.57	8.77	-67.16
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)=C1	REAL300012532619	0	49	0.0	-81.15	388.55	4.77	-76.38
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532620	0	57	0.0	-83.19	438.60	8.03	-75.16
CC1CCC(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)(C(=O)[O-])C1	REAL300012532621	0	51	0.0	-79.63	391.28	8.50	-71.13
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)=C1	REAL300012532622	0	54	0.0	-80.36	399.10	9.12	-71.24
COCCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532623	0	48	0.0	-79.83	388.83	5.83	-74.00
CN(C(=O)NCC1=CC(C[NH+](C)C)=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012532624	0	54	0.0	-73.08	422.21	11.71	-61.37
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300012532625	0	51	0.0	-80.96	392.73	9.20	-71.76
CC1CCC(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012532626	0	58	0.0	-82.35	440.11	11.21	-71.14
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300012532627	0	48	0.0	-77.16	378.76	8.14	-69.02
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532628	0	57	0.0	-76.40	438.95	8.05	-68.35
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=C1	REAL300012532629	0	46	0.0	-88.07	365.88	5.15	-82.92
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])=C1	REAL300012532630	0	56	0.0	-72.20	433.50	12.40	-59.80
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOC2)=C1	REAL300012532631	0	49	0.0	-74.71	381.93	5.81	-68.90
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=C1	REAL300012532632	0	49	0.0	-90.52	375.76	9.82	-80.70
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300012532633	0	52	0.0	-87.63	422.85	8.92	-78.71
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)=C1	REAL300012532634	0	47	0.0	-85.00	368.07	7.58	-77.42
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C1	REAL300012532635	0	51	0.0	-88.36	386.18	10.56	-77.80
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532636	0	54	0.0	-80.74	428.47	10.12	-70.62
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])=C1	REAL300012532637	0	55	0.0	-74.24	423.16	10.63	-63.61
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300012532638	0	48	0.0	-76.05	375.28	7.65	-68.40
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)=C1	REAL300012532639	0	61	0.0	-77.53	448.56	9.54	-67.99
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)=C1	REAL300012532640	0	54	0.0	-76.23	408.28	9.05	-67.18
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300012532641	0	48	0.0	-76.05	375.28	7.65	-68.40
CC1CCN(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C1C(=O)[O-]	REAL300012532642	0	48	0.0	-88.17	375.27	9.00	-79.17
C=CCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532643	0	45	0.0	-79.06	367.69	7.22	-71.84
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])=C1	REAL300012532644	0	55	0.0	-74.43	427.14	8.56	-65.87
C[NH+](C)CC1=CC=CC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=C1	REAL300012532645	0	55	0.0	-67.27	400.89	10.49	-56.78
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=C1	REAL300012532646	0	55	0.0	-78.66	405.19	7.79	-70.87
CC1=CC=CC2=C1CCN(C(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C2C(=O)[O-]	REAL300012532647	0	55	0.0	-72.41	423.66	11.83	-60.58
C[NH+](C)CC1=CC=CC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=C1	REAL300012532648	0	49	0.0	-59.90	376.71	9.70	-50.20
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])=C1	REAL300012532649	0	55	0.0	-74.24	423.16	10.63	-63.61
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300012532650	0	51	0.0	-77.56	419.97	9.84	-67.72
COC1CC(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)(C(=O)[O-])C1	REAL300012532651	0	49	0.0	-82.35	389.75	6.44	-75.91
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)=C1	REAL300012532652	0	45	0.0	-78.30	364.72	7.50	-70.80
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)(C(=O)[O-])C1	REAL300012532653	0	49	0.0	-79.08	388.37	6.74	-72.34
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)=C1	REAL300012532654	0	48	0.0	-73.83	395.66	8.27	-65.56
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532655	0	51	0.0	-81.79	386.81	10.38	-71.41
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300012532656	0	44	0.0	-73.19	370.25	7.50	-65.69
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300012532657	0	52	0.0	-76.95	409.02	6.78	-70.17
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])COC2)=C1	REAL300012532658	0	43	0.0	-74.49	347.12	4.52	-69.97
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])=C1	REAL300012532659	0	48	0.0	-80.97	404.63	8.85	-72.12
COCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012532660	0	55	0.0	-77.80	432.35	8.84	-68.96
CC(C)C(C)(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532661	0	50	0.0	-75.94	374.22	7.78	-68.16
C[NH+](C)CC1=CC=CC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012532662	0	46	0.0	-91.39	361.20	9.89	-81.50
C[NH+](C)CC1=CC=CC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012532663	0	49	0.0	-88.76	377.44	9.46	-79.30
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532664	0	54	0.0	-56.76	423.63	12.64	-44.12
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300012532665	0	57	0.0	-81.00	435.54	9.98	-71.02
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012532666	0	54	0.0	-80.69	436.56	10.56	-70.13
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012532667	0	54	0.0	-75.45	436.32	10.63	-64.82
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)=C1	REAL300012532668	0	55	0.0	-76.61	417.02	9.62	-66.99
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300012532669	0	57	0.0	-75.48	435.51	9.98	-65.50
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300012532670	0	57	0.0	-80.94	435.54	9.96	-70.98
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])=C1	REAL300012532671	0	55	0.0	-68.27	415.69	10.64	-57.63
C[NH+](C)CC1=CC=CC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=C1	REAL300012532672	0	55	0.0	-84.90	413.66	10.59	-74.31
COC1=CC=C(CC(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300012532673	0	55	0.0	-77.01	442.90	9.14	-67.87
C=CCSCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532674	0	49	0.0	-76.83	412.22	8.67	-68.16
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])=C1	REAL300012532675	0	52	0.0	-75.33	434.44	10.19	-65.14
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532676	0	50	0.0	-77.69	380.19	9.64	-68.05
COC1(C(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])CCC1	REAL300012532677	0	52	0.0	-77.19	402.15	6.40	-70.79
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)=C1	REAL300012532678	0	54	0.0	-79.16	417.09	9.80	-69.36
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)=C1	REAL300012532679	0	55	0.0	-85.67	422.59	10.91	-74.76
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=C1	REAL300012532680	0	48	0.0	-87.89	388.11	8.32	-79.57
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300012532682	0	60	0.0	-81.00	467.49	11.18	-69.82
CC(C)C1=CC=C(C(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300012532683	0	57	0.0	-80.93	451.55	10.76	-70.17
C[NH+](C)CC1=CC=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300012532684	0	45	0.0	-84.00	360.42	8.77	-75.23
C[NH+](C)CC1=CC=CC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])=C1	REAL300012532685	0	47	0.0	-68.64	369.98	9.50	-59.14
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])=C1	REAL300012532686	0	51	0.0	-87.66	386.24	9.64	-78.02
CCOC1=CC=C(C(NC(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300012532687	0	55	0.0	-80.55	442.67	9.06	-71.49
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])=C1	REAL300012532688	0	55	0.0	-86.35	410.45	11.35	-75.00
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300012532689	0	55	0.0	-76.98	433.44	10.84	-66.14
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012532690	0	55	0.0	-86.50	433.80	9.88	-76.62
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])=C1	REAL300012532691	0	51	0.0	-83.54	427.31	9.84	-73.70
CC(C)CCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532692	0	53	0.0	-79.52	414.89	8.85	-70.67
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])=C1	REAL300012532693	0	52	0.0	-59.26	400.81	10.18	-49.08
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300012532694	0	52	0.0	-76.95	409.02	6.78	-70.17
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C1	REAL300012532695	0	49	0.0	-84.22	398.17	9.64	-74.58
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)=C1	REAL300012532696	0	52	0.0	-78.92	393.23	9.37	-69.55
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)=C1	REAL300012532697	0	49	0.0	-86.35	377.65	8.72	-77.63
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300012532698	0	52	0.0	-79.46	398.90	9.11	-70.35
CN(C(=O)NCC1=CC(C[NH+](C)C)=CC=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012532699	0	54	0.0	-73.10	422.71	11.82	-61.28
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=C1	REAL300012532700	0	58	0.0	-59.02	429.90	11.15	-47.87
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCC2)=C1	REAL300012532701	0	51	0.0	-80.93	391.49	8.33	-72.60
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532702	0	48	0.0	-81.14	384.72	6.00	-75.14
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532703	0	48	0.0	-88.41	378.15	8.52	-79.89
C[NH+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012532704	0	51	0.0	-69.59	412.07	11.60	-57.99
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])=C1	REAL300012532705	0	51	0.0	-59.20	393.73	9.49	-49.71
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])=C1	REAL300012532706	0	48	0.0	-84.00	376.10	9.79	-74.21
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])=C1	REAL300012532707	0	45	0.0	-89.03	365.57	8.83	-80.20
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300012532708	0	51	0.0	-77.56	419.97	9.84	-67.72
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012532709	0	48	0.0	-74.55	404.17	8.79	-65.76
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=C1	REAL300012532710	0	48	0.0	-78.41	383.16	9.35	-69.06
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=C1	REAL300012532711	0	52	0.0	-80.47	418.34	9.51	-70.96
C[NH+](C)CC1=CC=CC(CNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])=C1	REAL300012532712	0	56	0.0	-79.35	442.12	11.15	-68.20
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012532713	0	48	0.0	-74.55	404.17	8.79	-65.76
C[NH+](C)CC1=CC=CC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012532714	0	52	0.0	-84.06	392.65	9.77	-74.29
COCCCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532715	0	51	0.0	-78.99	410.33	6.61	-72.38
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300012532716	0	50	0.0	-76.20	387.08	9.55	-66.65
CCOCC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300012532717	0	48	0.0	-81.95	388.87	6.00	-75.95
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])=C1	REAL300012532718	0	53	0.0	-75.23	405.99	9.16	-66.07
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)=C1	REAL300012532719	0	52	0.0	-83.25	405.91	7.32	-75.93
C[NH+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=C1	REAL300012532720	0	52	0.0	-79.19	409.27	10.03	-69.16
C[C@H]1OCCN(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)[C@@H]1C(=O)[O-]	REAL300012532721	0	49	0.0	-85.48	376.86	8.22	-77.26
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])=C1	REAL300012532722	0	51	0.0	-73.08	396.43	9.65	-63.43
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300012532723	0	45	0.0	-80.11	375.17	7.29	-72.82
C[NH+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)=C1	REAL300012532724	0	62	0.0	-85.77	447.70	10.88	-74.89
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])=C1	REAL300012532725	0	54	0.0	-79.87	443.49	10.04	-69.83
C[NH+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)=C1	REAL300012532726	0	48	0.0	-70.19	393.80	9.73	-60.46
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])=C1	REAL300012532727	0	59	0.0	-86.14	427.07	10.28	-75.86
C[NH+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])=C1	REAL300012532728	0	50	0.0	-80.52	425.40	8.44	-72.08
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C1	REAL300012532729	0	52	0.0	-82.48	408.22	8.73	-73.75
C=CCOCC(NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532730	0	47	0.0	-73.86	360.08	4.75	-69.11
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C2	REAL300012532731	0	50	0.0	-78.04	353.87	6.47	-71.57
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C2	REAL300012532732	0	46	0.0	-71.56	352.73	8.63	-62.93
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C2	REAL300012532733	0	46	0.0	-71.60	362.62	9.08	-62.52
COC1CCN(C(=O)NC2CC3CCC(C2)[NH+]3C)C(C(=O)[O-])C1	REAL300012532734	0	50	0.0	-88.85	343.85	8.19	-80.66
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1CCCOC1)C2	REAL300012532735	0	50	0.0	-75.78	348.30	6.25	-69.53
CC1CCN(C(=O)NC2CC3CCC(C2)[NH+]3C)C(C(=O)[O-])C1	REAL300012532736	0	49	0.0	-89.74	333.04	10.07	-79.67
CC1=CC(C(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])=CC=C1F	REAL300012532737	0	49	0.0	-74.28	366.50	9.28	-65.00
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=C3OCCC3=C1)C2	REAL300012532738	0	51	0.0	-77.90	375.91	8.36	-69.54
CC1=CC(C)=CC(C(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])=C1	REAL300012532739	0	52	0.0	-78.80	382.57	9.91	-68.89
CC1=CC=C(C(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])C=C1C	REAL300012532740	0	52	0.0	-79.11	378.43	9.71	-69.40
COC1=CC=C(C(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])C=C1Cl	REAL300012532741	0	50	0.0	-77.74	385.52	8.35	-69.39
CC1=CC=CC(C(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])=C1C	REAL300012532742	0	52	0.0	-78.25	372.84	9.64	-68.61
COC1=CC=C(C(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])C=C1F	REAL300012532743	0	50	0.0	-78.17	375.49	7.95	-70.22
C[NH+]1C2CCC1CC(NC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C2	REAL300012532744	0	52	0.0	-56.91	390.05	11.80	-45.11
CC(C(=O)[O-])N(C(=O)NC1CC2CCC(C1)[NH+]2C)C1CCC1	REAL300012532745	0	49	0.0	-64.47	333.30	9.10	-55.37
CCCN(C(=O)NC1CC2CCC(C1)[NH+]2C)C(COC)C(=O)[O-]	REAL300012532746	0	52	0.0	-77.26	374.87	8.48	-68.78
CCCN(C(=O)NC1CC2CCC(C1)[NH+]2C)C(CC)C(=O)[O-]	REAL300012532747	0	51	0.0	-76.22	361.67	9.13	-67.09
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C2	REAL300012532748	0	46	0.0	-73.88	356.47	9.10	-64.78
C[NH+]1C2CCC1CC(NC(=O)N1CCSCC1C(=O)[O-])C2	REAL300012532749	0	44	0.0	-86.20	311.72	9.28	-76.92
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C2	REAL300012532750	0	49	0.0	-78.12	342.98	7.15	-70.97
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CCCCCC1)C2	REAL300012532751	0	52	0.0	-78.78	348.64	7.82	-70.96
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C2	REAL300012532752	0	49	0.0	-78.74	362.03	9.51	-69.23
C[NH+]1C2CCC1CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C2	REAL300012532753	0	49	0.0	-58.16	370.39	9.77	-48.39
C[NH+]1C2CCC1CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C2	REAL300012532754	0	46	0.0	-78.28	340.03	8.50	-69.78
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C2	REAL300012532755	0	46	0.0	-77.80	339.76	8.58	-69.22
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C2	REAL300012532756	0	49	0.0	-78.74	362.03	9.51	-69.23
C[NH+]1C2CCC1CC(NC(=O)N1CC3=CC=CC=C3CC1C(=O)[O-])C2	REAL300012532757	0	50	0.0	-90.22	349.97	11.46	-78.76
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=CS1)C2	REAL300012532758	0	43	0.0	-76.29	331.64	7.59	-68.70
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C2	REAL300012532759	0	49	0.0	-78.12	342.98	7.15	-70.97
C[NH+]1C2CCC1CC(NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C2	REAL300012532760	0	49	0.0	-58.93	374.04	11.59	-47.34
C[NH+]1C2CCC1CC(NC(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C(=O)[O-])C2	REAL300012532761	0	53	0.0	-80.86	391.34	9.53	-71.33
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NC2CC3CCC(C2)[NH+]3C)=C1	REAL300012532762	0	57	0.0	-64.42	410.29	9.40	-55.02
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C2	REAL300012532763	0	46	0.0	-73.76	361.04	9.21	-64.55
C[NH+]1C2CCC1CC(NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C2	REAL300012532764	0	49	0.0	-59.07	363.72	11.14	-47.93
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)C2	REAL300012532765	0	50	0.0	-79.88	357.96	9.66	-70.22
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C2	REAL300012532766	0	46	0.0	-77.60	350.59	8.73	-68.87
C[NH+]1C2CCC1CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C2	REAL300012532767	0	49	0.0	-78.78	348.17	9.28	-69.50
CCCCCCC(C)(NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532768	0	57	0.0	-74.44	403.60	8.40	-66.04
CN(C(=O)NC1CC2CCC(C1)[NH+]2C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012532769	0	52	0.0	-76.32	369.47	11.36	-64.96
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C2	REAL300012532770	0	46	0.0	-73.88	356.47	9.10	-64.78
CN(C(=O)NC1CC2CCC(C1)[NH+]2C)C1(C(=O)[O-])CCCCC1	REAL300012532771	0	52	0.0	-83.69	340.74	9.98	-73.71
C[NH+]1C2CCC1CC(NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C2	REAL300012532772	0	52	0.0	-62.52	379.74	11.85	-50.67
CN(C(=O)NC1CC2CCC(C1)[NH+]2C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012532773	0	49	0.0	-75.03	345.89	10.04	-64.99
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CCC3=CC=CC=C31)C2	REAL300012532774	0	50	0.0	-83.05	355.02	9.60	-73.45
C[NH+]1C2CCC1CC(NC(=O)N[C@H](CC1=CNC3=CC=CC=C13)C(=O)[O-])C2	REAL300012532775	0	53	0.0	-85.75	395.93	9.45	-76.30
C[NH+]1C2CCC1CC(NC(=O)N1CCCCCC1C(=O)[O-])C2	REAL300012532776	0	49	0.0	-87.00	324.91	9.70	-77.30
C[NH+]1C2CCC1CC(NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C2	REAL300012532777	0	52	0.0	-62.52	379.74	11.85	-50.67
C[NH+]1C2CCC1CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C2	REAL300012532778	0	49	0.0	-60.18	334.68	9.65	-50.53
CCCCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532779	0	51	0.0	-71.59	377.13	7.30	-64.29
CCC1CCC(NC(=O)NC2CC3CCC(C2)[NH+]3C)(C(=O)[O-])CC1	REAL300012532780	0	55	0.0	-81.04	372.43	9.87	-71.17
C[NH+]1C2CCC1CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C2	REAL300012532781	0	50	0.0	-60.91	343.18	7.98	-52.93
CN(C(=O)NC1CC2CCC(C1)[NH+]2C)C1(C(=O)[O-])CCCC1	REAL300012532782	0	49	0.0	-85.26	329.16	9.33	-75.93
CCC(C(=O)[O-])N(C(=O)NC1CC2CCC(C1)[NH+]2C)C1CC1	REAL300012532783	0	49	0.0	-64.11	336.85	9.73	-54.38
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C2	REAL300012532784	0	46	0.0	-80.11	351.98	8.93	-71.18
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C2	REAL300012532785	0	46	0.0	-83.61	344.17	8.66	-74.95
C[NH+]1C2CCC1CC(NC(=O)N1CCC3=CC=CC=C3C1C(=O)[O-])C2	REAL300012532786	0	50	0.0	-64.86	352.82	10.78	-54.08
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C2	REAL300012532787	0	49	0.0	-74.83	375.66	9.55	-65.28
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CC=CC3=CC=CC=C31)C(=O)[O-])C2	REAL300012532788	0	55	0.0	-82.90	405.36	11.50	-71.40
C[NH+]1C2CCC1CC(NC(=O)NC(CC1CCCCC1)C(=O)[O-])C2	REAL300012532789	0	55	0.0	-77.63	384.18	9.63	-68.00
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC2CCC(C1)[NH+]2C	REAL300012532790	0	52	0.0	-60.85	364.24	11.73	-49.12
CC1=CC=C(C(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])C=C1	REAL300012532791	0	49	0.0	-78.26	361.42	9.18	-69.08
C[NH+]1C2CCC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C2	REAL300012532792	0	42	0.0	-67.07	329.40	5.64	-61.43
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC3=CC=CC=C3C=C1)C2	REAL300012532793	0	52	0.0	-79.65	386.01	10.77	-68.88
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CCSCC1)C2	REAL300012532794	0	47	0.0	-76.70	331.05	8.28	-68.42
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC2CCC(C1)[NH+]2C	REAL300012532795	0	49	0.0	-73.93	344.65	7.80	-66.13
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC2CCC(C1)[NH+]2C	REAL300012532796	0	55	0.0	-57.49	383.25	11.88	-45.61
C[NH+]1C2CCC1CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C2	REAL300012532797	0	45	0.0	-57.68	351.03	7.90	-49.78
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1CCCCC1)C2	REAL300012532798	0	52	0.0	-78.42	357.51	8.69	-69.73
CN(C(=O)NC1CC2CCC(C1)[NH+]2C)C(COC1CCC1)C(=O)[O-]	REAL300012532799	0	53	0.0	-74.89	371.66	9.16	-65.73
C[NH+]1C2CCC1CC(NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C2	REAL300012532800	0	53	0.0	-51.68	367.74	10.93	-40.75
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CCOCC1)C2	REAL300012532801	0	47	0.0	-80.05	324.79	6.12	-73.93
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC2CCC(C1)[NH+]2C	REAL300012532802	0	52	0.0	-65.55	363.76	10.97	-54.58
COC1=CC=C(C(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])C=C1	REAL300012532803	0	50	0.0	-73.07	378.49	6.36	-66.71
CCC(COC)(NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532804	0	49	0.0	-77.54	352.52	5.50	-72.04
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC2CCC(C1)[NH+]2C	REAL300012532805	0	52	0.0	-74.53	364.89	8.56	-65.97
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C2	REAL300012532806	0	49	0.0	-81.25	349.90	4.61	-76.64
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC2CCC(C1)[NH+]2C	REAL300012532807	0	51	0.0	-74.58	352.26	9.82	-64.76
C[NH+]1C2CCC1CC(NC(=O)NC(CC(F)F)C(=O)[O-])C2	REAL300012532808	0	42	0.0	-71.21	324.98	5.26	-65.95
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC2CCC(C1)[NH+]2C	REAL300012532809	0	52	0.0	-86.85	353.40	10.77	-76.08
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC2CCC(C1)[NH+]2C	REAL300012532810	0	52	0.0	-77.75	380.61	10.64	-67.11
CCC(NC(=O)NC1CC2CCC(C1)[NH+]2C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012532811	0	52	0.0	-76.16	381.38	10.64	-65.52
CCC(NC(=O)NC1CC2CCC(C1)[NH+]2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012532812	0	52	0.0	-79.71	364.68	10.12	-69.59
COC1CCCC(C(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])C1	REAL300012532813	0	56	0.0	-82.09	389.34	7.71	-74.38
COC1(CC(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])CCC1	REAL300012532814	0	53	0.0	-79.71	374.73	7.81	-71.90
C[NH+]1C2CCC1CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C2	REAL300012532815	0	50	0.0	-60.91	343.18	7.98	-52.93
C[NH+]1C2CCC1CC(NC(=O)N(CC(=O)[O-])C1CCCCC1)C2	REAL300012532816	0	52	0.0	-60.81	352.07	10.35	-50.46
C[C@H]1CC[C@@](NC(=O)NC2CC3CCC(C2)[NH+]3C)(C(=O)[O-])CC1	REAL300012532817	0	52	0.0	-78.38	356.78	7.53	-70.85
COC1=CC=CC(C(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])=C1	REAL300012532818	0	50	0.0	-80.63	369.51	7.79	-72.84
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)C2	REAL300012532819	0	46	0.0	-79.13	355.11	8.98	-70.15
C[NH+]1C2CCC1CC(NC(=O)NC(C)(CCF)C(=O)[O-])C2	REAL300012532820	0	45	0.0	-70.98	324.20	5.45	-65.53
C[NH+]1C2CCC1CC(NC(=O)N1CCC3=C(C=CO3)C1C(=O)[O-])C2	REAL300012532821	0	47	0.0	-66.43	334.84	8.83	-57.60
C[NH+]1C2CCC1CC(NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C2	REAL300012532822	0	43	0.0	-72.53	326.09	6.66	-65.87
COC1=CC=CC([C@H](NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])=C1	REAL300012532823	0	50	0.0	-80.65	369.50	7.79	-72.86
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC3CCC(C2)[NH+]3C)C1	REAL300012532824	0	52	0.0	-87.25	366.77	10.05	-77.20
COC1=CC=CC(CC(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])=C1	REAL300012532825	0	53	0.0	-82.69	391.73	8.74	-73.95
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C2	REAL300012532826	0	55	0.0	-82.46	361.28	9.49	-72.97
C[NH+]1C2CCC1CC(NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C2	REAL300012532827	0	52	0.0	-75.91	382.13	10.13	-65.78
C[NH+]1C2CCC1CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C2	REAL300012532828	0	51	0.0	-73.16	375.96	9.92	-63.24
COC1CN(C(=O)NC2CC3CCC(C2)[NH+]3C)C(C)(C(=O)[O-])C1	REAL300012532829	0	50	0.0	-84.40	351.81	7.76	-76.64
C[NH+]1C2CCC1CC(NC(=O)NC(CC1CCCOC1)C(=O)[O-])C2	REAL300012532830	0	53	0.0	-76.20	375.00	7.33	-68.87
C=C(Cl)CC(NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532831	0	43	0.0	-72.32	341.90	6.04	-66.28
C[NH+]1C2CCC1CC(NC(=O)N1C3CCC1(C(=O)[O-])CC3)C2	REAL300012532832	0	47	0.0	-93.13	324.57	9.74	-83.39
C[NH+]1C2CCC1CC(NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C2	REAL300012532833	0	52	0.0	-76.47	371.81	9.68	-66.79
C[NH+]1C2CCC1CC(NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C2	REAL300012532834	0	43	0.0	-77.33	315.53	8.03	-69.30
C[NH+]1C2CCC1CC(NC(=O)NC(CC1CCOCC1)C(=O)[O-])C2	REAL300012532835	0	53	0.0	-77.91	375.07	7.31	-70.60
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C2	REAL300012532836	0	50	0.0	-78.04	353.87	6.47	-71.57
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C2	REAL300012532837	0	46	0.0	-77.80	339.76	8.58	-69.22
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C2	REAL300012532838	0	49	0.0	-76.78	378.48	9.58	-67.20
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CN=CS1)C(=O)[O-])C2	REAL300012532839	0	45	0.0	-74.50	347.99	6.62	-67.88
CC(C)CCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532840	0	54	0.0	-72.36	395.53	7.78	-64.58
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CC3=CC=CC=C3O1)C(=O)[O-])C2	REAL300012532841	0	52	0.0	-81.56	391.75	9.90	-71.66
C[NH+]1C2CCC1CC(NC(=O)NC(CC1CCCO1)C(=O)[O-])C2	REAL300012532842	0	50	0.0	-81.14	359.80	6.87	-74.27
CSCC(NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532843	0	43	0.0	-70.19	336.94	5.36	-64.83
C[NH+]1C2CCC1CC(NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C2	REAL300012532844	0	49	0.0	-76.66	368.68	9.51	-67.15
CCC(C)CC(NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532845	0	51	0.0	-73.04	370.41	6.94	-66.10
C=CCCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532846	0	49	0.0	-71.30	368.44	7.08	-64.22
C[NH+]1C2CCC1CC(NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C2	REAL300012532847	0	49	0.0	-76.65	368.63	9.52	-67.13
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC3=CC=CC=C31)C2	REAL300012532848	0	52	0.0	-81.50	379.67	10.68	-70.82
C[NH+]1C2CCC1CC(NC(=O)N1CCSCC1C(=O)[O-])C2	REAL300012532849	0	44	0.0	-86.20	311.72	9.28	-76.92
C[NH+]1C2CCC1CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C2	REAL300012532850	0	49	0.0	-78.78	348.17	9.28	-69.50
C[NH+]1C2CCC1CC(NC(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])C2	REAL300012532851	0	47	0.0	-91.53	321.85	9.72	-81.81
C[NH+]1C2CCC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C2	REAL300012532852	0	42	0.0	-68.98	326.02	7.26	-61.72
C[NH+]1C2CCC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C2	REAL300012532853	0	42	0.0	-68.98	326.02	7.26	-61.72
C[NH+]1C2CCC1CC(NC(=O)N(CCN1CCOCC1)CC(=O)[O-])C2	REAL300012532854	0	55	0.0	-62.27	386.68	6.54	-55.73
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3CCC(C2)[NH+]3C)CC1	REAL300012532855	1	59	0.0	-61.52	406.64	6.21	-55.31
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC2CCC(C1)[NH+]2C	REAL300012532856	0	50	0.0	-56.87	351.07	10.92	-45.95
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC3CCC(C2)[NH+]3C)[C@H]1C(=O)[O-]	REAL300012532857	0	53	0.0	-63.22	376.44	9.99	-53.23
C[NH+]1C2CCC1CC(NC(=O)N1CCOC3=CC=CC=C3C1C(=O)[O-])C2	REAL300012532858	0	51	0.0	-78.62	357.40	9.48	-69.14
C[NH+]1C2CCC1CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C2	REAL300012532859	0	46	0.0	-78.28	340.03	8.50	-69.78
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C2	REAL300012532860	0	49	0.0	-73.50	378.75	9.51	-63.99
C[NH+]1C2CCC1CC(NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C2	REAL300012532861	0	51	0.0	-78.07	379.89	8.51	-69.56
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=NC=CS1)C(=O)[O-])C2	REAL300012532862	0	45	0.0	-77.01	358.18	5.03	-71.98
C[NH+]1C2CCC1CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C2	REAL300012532863	0	46	0.0	-71.91	367.48	8.26	-63.65
C[NH+]1C2CCC1CC(NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C2	REAL300012532864	0	46	0.0	-94.49	331.12	5.71	-88.78
CN1CC(C(=O)[O-])N(C(=O)NC2CC3CCC(C2)[NH+]3C)CC1=O	REAL300012532865	0	47	0.0	-78.27	329.02	7.43	-70.84
C[NH+]1C2CCC1CC(NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C2	REAL300012532866	0	46	0.0	-78.26	339.97	8.51	-69.75
C[NH+]1C2CCC1CC(NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C2	REAL300012532867	0	49	0.0	-80.12	349.45	7.82	-72.30
C[NH+]1C2CCC1CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C2	REAL300012532868	0	49	0.0	-60.18	334.68	9.65	-50.53
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CC(CO)C1)C2	REAL300012532869	0	47	0.0	-87.04	335.51	4.30	-82.74
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532870	0	55	0.0	-78.49	385.73	7.63	-70.86
CC1CCC(NC(=O)NC2CC3CCC(C2)[NH+]3C)(C(=O)[O-])C1	REAL300012532871	0	49	0.0	-81.32	339.91	8.14	-73.18
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CCCC1(C)C)C2	REAL300012532872	0	52	0.0	-81.64	349.37	8.87	-72.77
CN(C(=O)NC1CC2CCC(C1)[NH+]2C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012532873	0	52	0.0	-76.32	369.47	11.36	-64.96
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C2	REAL300012532874	0	49	0.0	-83.01	341.40	8.82	-74.19
CC1CCC(NC(=O)NC2CC3CCC(C2)[NH+]3C)(C(=O)[O-])C2=CC=CC=C21	REAL300012532875	0	56	0.0	-83.58	388.98	10.87	-72.71
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532876	0	55	0.0	-78.22	387.71	7.72	-70.50
C[NH+]1C2CCC1CC(NC(=O)N1CC3(CC3)C3=CC=CC=C3C1C(=O)[O-])C2	REAL300012532877	0	54	0.0	-66.35	380.06	11.89	-54.46
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1CCOC1)C2	REAL300012532878	0	47	0.0	-74.28	336.57	5.57	-68.71
C[NH+]1C2CCC1CC(NC(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])C2	REAL300012532879	0	47	0.0	-89.07	323.47	9.37	-79.70
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CNC3=CC=CC=C13)C2	REAL300012532880	0	50	0.0	-86.31	371.92	8.58	-77.73
C[NH+]1C2CCC1CC(NC(=O)N1CC3CC1(C(=O)[O-])CO3)C2	REAL300012532881	0	45	0.0	-85.98	317.23	7.14	-78.84
CC1CCC(C(=O)[O-])N(C(=O)NC2CC3CCC(C2)[NH+]3C)C1	REAL300012532882	0	49	0.0	-89.17	332.91	10.03	-79.14
CC(C1=CC=CC=C1)C(NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532883	0	52	0.0	-76.45	377.42	9.85	-66.60
C[NH+]1C2CCC1CC(NC(=O)NC(CC1CC=CCC1)C(=O)[O-])C2	REAL300012532884	0	53	0.0	-76.66	371.85	10.30	-66.36
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C2	REAL300012532885	0	59	0.0	-80.01	397.09	9.16	-70.85
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1CCCCC1)C2	REAL300012532886	0	52	0.0	-78.42	357.51	8.69	-69.73
C[NH+]1C2CCC1CC(NC(=O)NC(CC1CCCCO1)C(=O)[O-])C2	REAL300012532887	0	53	0.0	-76.39	375.84	8.23	-68.16
C[NH+]1C2CCC1CC(NC(=O)N1[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]31)C2	REAL300012532888	0	53	0.0	-51.92	359.15	8.68	-43.24
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C2	REAL300012532889	0	53	0.0	-81.14	353.89	7.43	-73.71
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CSC3=CC=CC=C13)C(=O)[O-])C2	REAL300012532890	0	52	0.0	-79.51	400.46	10.71	-68.80
CC1=CC=CC2=C1CCN(C(=O)NC1CC3CCC(C1)[NH+]3C)C2C(=O)[O-]	REAL300012532891	0	53	0.0	-66.56	371.12	11.21	-55.35
C[NH+]1C2CCC1CC(NC(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])C2	REAL300012532892	0	47	0.0	-54.76	320.51	9.05	-45.71
C[NH+]1C2CCC1CC(NC(=O)NC(CC1CC=CCC1)C(=O)[O-])C2	REAL300012532893	0	53	0.0	-76.66	371.85	10.30	-66.36
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C2	REAL300012532894	0	49	0.0	-73.65	367.80	9.52	-64.13
COC1CC(NC(=O)NC2CC3CCC(C2)[NH+]3C)(C(=O)[O-])C1	REAL300012532895	0	47	0.0	-77.86	336.58	5.99	-71.87
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C2	REAL300012532896	0	43	0.0	-79.88	313.40	7.14	-72.74
CO[C@H]1C[C@](NC(=O)NC2CC3CCC(C2)[NH+]3C)(C(=O)[O-])C1	REAL300012532897	0	47	0.0	-77.78	336.76	6.00	-71.78
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C2	REAL300012532898	0	46	0.0	-78.75	341.83	8.20	-70.55
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC2CCC(C1)[NH+]2C	REAL300012532899	0	49	0.0	-86.50	331.91	10.02	-76.48
C[NH+]1C2CCC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C2	REAL300012532900	0	42	0.0	-67.07	329.40	5.64	-61.43
C[NH+]1C2CCC1CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C2	REAL300012532901	0	50	0.0	-76.19	358.49	6.56	-69.63
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CC=CS1)C(=O)[O-])C2	REAL300012532902	0	46	0.0	-72.96	362.93	7.05	-65.91
COCC(NC(=O)NC1CC2CCC(C1)[NH+]2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012532903	0	53	0.0	-77.93	380.76	8.45	-69.48
C[NH+]1C2CCC1CC(NC(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])C2	REAL300012532904	0	47	0.0	-80.19	335.96	7.63	-72.56
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC2CCC(C1)[NH+]2C	REAL300012532905	0	52	0.0	-77.75	380.61	10.64	-67.11
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])C2	REAL300012532906	0	53	0.0	-78.32	401.46	9.02	-69.30
C[NH+]1C2CCC1CC(NC(=O)NC(CC1CCCCC1)C(=O)[O-])C2	REAL300012532907	0	55	0.0	-77.63	384.18	9.63	-68.00
C[NH+]1C2CCC1CC(NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C2	REAL300012532908	0	52	0.0	-77.05	384.42	10.24	-66.81
C[NH+]1C2CCC1CC(NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C2	REAL300012532909	0	52	0.0	-77.35	385.01	10.28	-67.07
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1CC3CCC1C3)C2	REAL300012532910	0	53	0.0	-79.56	366.13	9.07	-70.49
C[NH+]1C2CCC1CC(NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C2	REAL300012532911	0	55	0.0	-77.17	383.93	9.70	-67.47
C[NH+]1C2CCC1CC(NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C2	REAL300012532912	0	55	0.0	-77.00	383.34	9.64	-67.36
C[NH+]1C2CCC1CC(NC(=O)N1CC3(CCCC3)CC1C(=O)[O-])C2	REAL300012532913	0	53	0.0	-54.87	359.08	10.00	-44.87
C[NH+]1C2CCC1CC(NC(=O)N1C[C@H]3CCCC[C@H]3[C@@H]1C(=O)[O-])C2	REAL300012532914	0	53	0.0	-81.56	371.00	8.55	-73.01
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)C2	REAL300012532915	0	53	0.0	-82.14	404.34	9.04	-73.10
COC1=CC=C(CC(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])C=C1	REAL300012532916	0	53	0.0	-77.63	391.47	8.82	-68.81
C=CCSCC(NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532917	0	47	0.0	-70.18	371.21	6.82	-63.36
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C2	REAL300012532918	0	50	0.0	-76.98	382.87	9.90	-67.08
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CNC3=CC=CC(F)=C13)C(=O)[O-])C2	REAL300012532919	0	53	0.0	-92.44	401.67	9.50	-82.94
COC1(C(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])CCC1	REAL300012532920	0	50	0.0	-73.33	351.82	6.11	-67.22
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C2	REAL300012532921	0	52	0.0	-77.80	364.97	9.42	-68.38
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CCC3=CC=CC=C3C1)C2	REAL300012532922	0	53	0.0	-81.69	371.32	10.54	-71.15
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C2	REAL300012532923	0	46	0.0	-77.17	338.93	8.01	-69.16
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C2	REAL300012532925	0	58	0.0	-77.43	415.99	10.91	-66.52
CC(C)C1=CC=C(C(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])C=C1	REAL300012532926	0	55	0.0	-77.45	399.99	10.51	-66.94
C[NH+]1C2CCC1CC(NC(=O)N1C3C=CC(C3)C1C(=O)[O-])C2	REAL300012532927	0	45	0.0	-54.74	328.30	7.69	-47.05
C[NH+]1C2CCC1CC(NC(=O)N1CCC(C)(C)C1C(=O)[O-])C2	REAL300012532928	0	49	0.0	-86.72	337.55	8.92	-77.80
CCOC1=CC=C(C(NC(=O)NC2CC3CCC(C2)[NH+]3C)C(=O)[O-])C=C1	REAL300012532929	0	53	0.0	-77.30	391.11	8.81	-68.49
C[NH+]1C2CCC1CC(NC(=O)N1CC3(CCC3)CCC1C(=O)[O-])C2	REAL300012532930	0	53	0.0	-89.29	356.92	10.86	-78.43
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1CCC3=CC=CC=C31)C2	REAL300012532931	0	53	0.0	-77.74	379.69	10.96	-66.78
C[NH+]1C2CCC1CC(NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C2	REAL300012532932	0	53	0.0	-82.94	382.44	9.52	-73.42
C[NH+]1C2CCC1CC(NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C2	REAL300012532933	0	49	0.0	-81.68	376.23	9.44	-72.24
CC(C)CCC(NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532934	0	51	0.0	-71.86	373.20	7.05	-64.81
C[NH+]1C2CCC1CC(NC(=O)N1CC3(CCC3)CC1C(=O)[O-])C2	REAL300012532935	0	50	0.0	-55.17	344.10	9.51	-45.66
C[NH+]1C2CCC1CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C2	REAL300012532936	0	50	0.0	-76.19	358.49	6.56	-69.63
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC3CCC(C2)[NH+]3C)C1	REAL300012532937	0	47	0.0	-78.51	355.48	8.00	-70.51
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CCCC3CC31)C2	REAL300012532938	0	50	0.0	-80.66	341.92	9.00	-71.66
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CCC3CC31)C2	REAL300012532939	0	47	0.0	-82.74	326.34	8.35	-74.39
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300012532940	0	50	0.0	-75.79	357.21	7.27	-68.52
CN(C(=O)NC1CC2CCC(C1)[NH+]2C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012532941	0	52	0.0	-76.99	371.05	11.28	-65.71
C[NH+]1C2CCC1CC(NC(=O)N1CC3(CC1C(=O)[O-])CCCCC3)C2	REAL300012532942	0	56	0.0	-54.28	373.03	10.48	-43.80
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1CCCC1)C2	REAL300012532943	0	49	0.0	-78.14	340.31	7.92	-70.22
C[NH+]1C2CCC1CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C2	REAL300012532944	0	49	0.0	-58.16	370.39	9.77	-48.39
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C3=CC=CC=C3)C=C1)C2	REAL300012532945	0	56	0.0	-77.93	413.95	11.99	-65.94
C[NH+]1C2CCC1CC(NC(=O)N1CC(C)(C)CC1C(=O)[O-])C2	REAL300012532946	0	49	0.0	-58.13	337.34	8.65	-49.48
C[NH+]1C2CCC1CC(NC(=O)N1CCC3=C(C=CC(F)=C3F)C1C(=O)[O-])C2	REAL300012532947	0	50	0.0	-62.31	365.10	10.77	-51.54
C[NH+]1C2CCC1CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C2	REAL300012532948	0	52	0.0	-74.81	386.47	10.25	-64.56
C[NH+]1C2CCC1CC(NC(=O)N1CCC(F)(F)CC1C(=O)[O-])C2	REAL300012532949	0	46	0.0	-84.97	322.74	9.30	-75.67
C[NH+]1C2CCC1CC(NC(=O)N1CCC(F)(F)C1C(=O)[O-])C2	REAL300012532950	0	43	0.0	-87.89	314.08	8.01	-79.88
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C2	REAL300012532951	0	49	0.0	-73.65	367.80	9.52	-64.13
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CSC=C1)C(=O)[O-])C2	REAL300012532952	0	46	0.0	-77.47	352.83	8.42	-69.05
C[NH+]1C2CCC1CC(NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C2	REAL300012532953	0	46	0.0	-76.30	330.59	8.93	-67.37
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CC3(CC(F)(F)C3)C1)C2	REAL300012532954	0	50	0.0	-81.92	367.03	9.15	-72.77
C[NH+]1C2CCC1CC(NC(=O)N1C[C@@H](OC3=CC=CC=C3)C[C@H]1C(=O)[O-])C2	REAL300012532955	0	54	0.0	-83.19	388.78	10.69	-72.50
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CSC=C1)C(=O)[O-])C2	REAL300012532956	0	46	0.0	-77.47	352.83	8.42	-69.05
C[NH+]1C2CCC1CC(NC(=O)N1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])C2	REAL300012532957	0	50	0.0	-80.98	351.13	8.02	-72.96
COCCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300012532958	0	49	0.0	-72.03	368.64	4.79	-67.24
C[NH+]1C2CCC1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C2	REAL300012532959	0	51	0.0	-74.62	364.06	7.42	-67.20
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1CCCCO1)C2	REAL300012532960	0	50	0.0	-79.75	355.08	6.99	-72.76
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)C2	REAL300012532961	0	46	0.0	-72.53	370.90	7.63	-64.90
C[NH+]1C2CCC1CC(NC(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)C2	REAL300012532962	0	50	0.0	-79.88	357.96	9.66	-70.22
C[C@H]1OCCN(C(=O)NC2CC3CCC(C2)[NH+]3C)[C@@H]1C(=O)[O-]	REAL300012532963	0	47	0.0	-85.22	322.64	7.46	-77.76
C[NH+]1C2CCC1CC(NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C2	REAL300012532964	0	49	0.0	-71.60	354.89	7.85	-63.75
C[NH+]1C2CCC1CC(NC(=O)NC(C(=O)[O-])C13CC4CC(CC(C4)C1)C3)C2	REAL300012532965	0	60	0.0	-81.41	395.73	10.61	-70.80
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=COC3=CC=CC=C13)C(=O)[O-])C2	REAL300012532966	0	52	0.0	-81.81	392.18	9.69	-72.12
C[NH+]1C2CCC1CC(NC(=O)N(CC(=O)[O-])CC1=CC=CO1)C2	REAL300012532967	0	46	0.0	-63.09	333.41	8.97	-54.12
C[NH+]1C2CCC1CC(NC(=O)N1CC3(CCOCC3)CCC1C(=O)[O-])C2	REAL300012532968	0	57	0.0	-87.49	374.01	9.75	-77.74
C[NH+]1C2CCC1CC(NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C2	REAL300012532969	0	48	0.0	-78.52	374.10	8.10	-70.42
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC3CCC(C2)[NH+]3C)C1	REAL300012532970	0	50	0.0	-81.67	356.78	8.10	-73.57
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012532971	0	51	0.0	-71.65	385.86	7.91	-63.74
C=CCOCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012532972	0	50	0.0	-74.78	393.76	6.40	-68.38
C=CC(C)C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012532973	0	49	0.0	-73.21	371.66	7.44	-65.77
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1CCOCC1	REAL300012532974	0	53	0.0	-74.26	397.17	6.65	-67.61
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=C(F)C(F)=C1	REAL300012532975	0	49	0.0	-68.85	397.83	8.81	-60.04
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=C(Cl)C(F)=C1	REAL300012532976	0	49	0.0	-68.82	407.72	9.26	-59.56
COC1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C(C(=O)[O-])C1	REAL300012532977	0	53	0.0	-82.73	387.81	8.92	-73.81
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCOC1	REAL300012532978	0	53	0.0	-70.88	391.04	6.50	-64.38
CC1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C(C(=O)[O-])C1	REAL300012532979	0	52	0.0	-80.14	377.84	10.12	-70.02
CC1=CC(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])=CC=C1F	REAL300012532980	0	52	0.0	-71.25	410.03	9.37	-61.88
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=C2OCCC2=C1	REAL300012532981	0	54	0.0	-74.12	419.22	8.52	-65.60
CC1=CC(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])=CC(C)=C1	REAL300012532982	0	55	0.0	-74.45	425.91	10.08	-64.37
CC1=CC=C(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1C	REAL300012532983	0	55	0.0	-74.91	423.30	9.98	-64.93
COC1=CC=C(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1Cl	REAL300012532984	0	53	0.0	-73.91	428.83	8.52	-65.39
CC1=CC=CC(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])=C1C	REAL300012532985	0	55	0.0	-74.64	413.29	9.69	-64.95
COC1=CC=C(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1F	REAL300012532986	0	53	0.0	-74.34	418.78	8.12	-66.22
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2CC2)CC1)C1CCC1	REAL300012532987	0	52	0.0	-62.00	379.42	9.51	-52.49
CCCN(C(=O)NC1CC[NH+](CC2CC2)CC1)C(COC)C(=O)[O-]	REAL300012532988	0	55	0.0	-71.79	404.38	8.77	-63.02
CCCN(C(=O)NC1CC[NH+](CC2CC2)CC1)C(CC)C(=O)[O-]	REAL300012532989	0	54	0.0	-70.24	393.36	10.15	-60.09
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012532990	0	49	0.0	-81.35	357.53	9.75	-71.60
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=C(Cl)C=C1	REAL300012532991	0	49	0.0	-70.35	399.41	9.23	-61.12
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O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012532996	0	52	0.0	-74.22	405.58	9.62	-64.60
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O=C([O-])[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=CC=C1	REAL300012532998	0	49	0.0	-73.55	383.09	8.76	-64.79
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=CC=C1	REAL300012532999	0	49	0.0	-74.00	384.88	8.77	-65.23
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533000	0	52	0.0	-74.22	405.58	9.62	-64.60
CCC(C)C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533001	0	51	0.0	-72.26	380.26	7.83	-64.43
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533002	0	49	0.0	-81.35	357.53	9.75	-71.60
CCCC(C)(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533003	0	51	0.0	-71.61	372.79	7.73	-63.88
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533004	0	51	0.0	-60.66	381.23	9.70	-50.96
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533005	0	53	0.0	-81.80	395.47	11.78	-70.02
CC(NC(=O)NC1CC[NH+](CC2CC2)CC1)(C(=O)[O-])C1CC1	REAL300012533006	0	49	0.0	-73.20	360.72	7.73	-65.47
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=CS1	REAL300012533007	0	46	0.0	-72.12	374.29	7.79	-64.33
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCCCC1	REAL300012533008	0	52	0.0	-75.31	376.66	8.81	-66.50
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533009	0	52	0.0	-56.66	420.82	11.95	-44.71
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533010	0	56	0.0	-74.94	433.82	9.71	-65.23
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533011	0	51	0.0	-72.83	376.73	7.55	-65.28
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCCC1	REAL300012533012	0	49	0.0	-75.32	362.15	7.71	-67.61
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533013	0	52	0.0	-56.87	410.50	11.50	-45.37
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC2=CC=CC=C2C1	REAL300012533014	0	53	0.0	-74.52	401.26	9.86	-64.66
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC(F)=CC=C1F	REAL300012533015	0	49	0.0	-74.07	394.16	8.84	-65.23
CC(NC(=O)NC1CC[NH+](CC2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012533016	0	52	0.0	-74.72	392.90	9.47	-65.25
CCCCCCC(C)(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533017	0	60	0.0	-71.80	437.28	10.06	-61.74
CN(C(=O)NC1CC[NH+](CC2CC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012533018	0	55	0.0	-71.90	414.15	11.55	-60.35
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=C(Cl)C=C1	REAL300012533019	0	49	0.0	-70.35	399.41	9.23	-61.12
O=C([O-])C1COCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533020	0	47	0.0	-77.78	348.09	7.07	-70.71
CN(C(=O)NC1CC[NH+](CC2CC2)CC1)C1(C(=O)[O-])CCCCC1	REAL300012533021	0	55	0.0	-77.91	385.92	10.13	-67.78
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533022	0	55	0.0	-61.70	426.49	12.20	-49.50
CN(C(=O)NC1CC[NH+](CC2CC2)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012533023	0	52	0.0	-76.58	395.50	10.24	-66.34
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533024	0	49	0.0	-61.60	376.46	7.61	-53.99
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCC2=CC=CC=C21	REAL300012533025	0	53	0.0	-77.59	398.00	9.73	-67.86
O=C([O-])[C@H]1CCCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533026	0	49	0.0	-80.62	358.65	9.53	-71.09
CC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533027	0	49	0.0	-78.89	364.77	9.06	-69.83
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533028	0	56	0.0	-80.51	439.47	9.56	-70.95
O=C([O-])C1CCCCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533029	0	52	0.0	-78.24	371.30	10.45	-67.79
CCCCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533030	0	51	0.0	-72.11	389.90	8.21	-63.90
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533031	0	55	0.0	-61.70	426.49	12.20	-49.50
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533032	0	49	0.0	-78.34	363.01	9.03	-69.31
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCC1	REAL300012533033	0	52	0.0	-57.66	375.35	9.76	-47.90
CCCCCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533034	0	54	0.0	-72.03	411.40	8.99	-63.04
CCC1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)(C(=O)[O-])CC1	REAL300012533035	0	58	0.0	-75.64	417.53	10.08	-65.56
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CC2)CC1)C1CCOCC1	REAL300012533036	0	53	0.0	-60.29	389.85	8.32	-51.97
CN(C(=O)NC1CC[NH+](CC2CC2)CC1)C1(C(=O)[O-])CCCC1	REAL300012533037	0	52	0.0	-78.28	374.44	9.70	-68.58
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2CC2)CC1)C1CC1	REAL300012533038	0	49	0.0	-61.32	363.49	9.10	-52.22
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2CC2)CC1)C1CC1	REAL300012533039	0	52	0.0	-60.80	384.94	10.29	-50.51
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=CC=C1Cl	REAL300012533040	0	49	0.0	-75.32	396.00	9.13	-66.19
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=CC=C1F	REAL300012533041	0	49	0.0	-79.19	387.75	8.76	-70.43
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O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533043	0	52	0.0	-77.04	420.99	9.93	-67.11
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533044	0	58	0.0	-77.73	448.95	11.68	-66.05
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533045	0	58	0.0	-73.90	427.53	9.81	-64.09
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533046	0	55	0.0	-59.40	418.06	12.07	-47.33
CC1=CC=C(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1	REAL300012533047	0	52	0.0	-73.70	404.47	9.43	-64.27
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533048	0	45	0.0	-66.84	362.25	7.33	-59.51
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300012533049	0	55	0.0	-75.91	429.29	10.94	-64.97
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCSCC1	REAL300012533050	0	50	0.0	-72.40	374.33	8.49	-63.91
COCC(C)(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533051	0	49	0.0	-75.71	369.53	6.26	-69.45
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533052	0	52	0.0	-71.58	388.73	8.00	-63.58
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533053	0	51	0.0	-60.66	381.23	9.70	-50.96
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533054	0	58	0.0	-58.75	433.94	12.78	-45.97
O=C([O-])CN(CCC(F)(F)F)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533055	0	48	0.0	-60.65	384.72	9.56	-51.09
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCOC1	REAL300012533056	0	47	0.0	-69.94	352.81	5.11	-64.83
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCCC1	REAL300012533057	0	55	0.0	-75.11	402.68	8.82	-66.29
CN(C(=O)NC1CC[NH+](CC2CC2)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012533058	0	56	0.0	-72.42	416.07	9.50	-62.92
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533059	0	56	0.0	-80.17	421.19	12.78	-67.39
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCOCC1	REAL300012533060	0	50	0.0	-75.15	369.88	6.33	-68.82
C=CCCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533061	0	49	0.0	-71.94	381.21	7.99	-63.95
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533062	0	55	0.0	-52.87	413.35	12.39	-40.48
CCC(CC)(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533063	0	51	0.0	-72.49	367.67	7.86	-64.63
COC1=CC=C(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1	REAL300012533064	0	53	0.0	-74.24	412.77	7.97	-66.27
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533065	0	51	0.0	-60.08	375.79	9.75	-50.33
CCC(COC)(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533066	0	52	0.0	-77.04	385.97	7.17	-69.87
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533067	0	55	0.0	-72.01	409.18	8.87	-63.14
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCS(=O)(=O)CC1	REAL300012533068	0	52	0.0	-76.96	395.00	4.81	-72.15
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533069	0	49	0.0	-72.12	379.03	8.10	-64.02
COCCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533070	0	49	0.0	-72.83	380.82	5.67	-67.16
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533071	0	54	0.0	-71.04	395.43	9.95	-61.09
O=C([O-])C(CC(F)F)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533072	0	45	0.0	-67.97	356.93	7.15	-60.82
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533073	0	55	0.0	-78.08	398.20	10.71	-67.37
CCCN(C(=O)NC1CC[NH+](CC2CC2)CC1)C(C)C(=O)[O-]	REAL300012533074	0	51	0.0	-54.90	377.35	10.03	-44.87
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533075	0	55	0.0	-78.47	415.96	12.31	-66.16
CCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012533076	0	55	0.0	-69.57	426.53	10.85	-58.72
CCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012533077	0	55	0.0	-74.84	409.87	10.36	-64.48
COC1CCCC(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C1	REAL300012533078	0	59	0.0	-77.41	432.67	7.89	-69.52
O=C([O-])C(CCF)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533079	0	45	0.0	-70.99	353.50	6.81	-64.18
COC1(CC(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])CCC1	REAL300012533080	0	56	0.0	-72.23	417.50	7.71	-64.52
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CC2)CC1)C1CCOCC1	REAL300012533081	0	53	0.0	-60.29	389.85	8.32	-51.97
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCCC1	REAL300012533082	0	55	0.0	-59.24	398.81	10.69	-48.55
C[C@H]1CC[C@@](NC(=O)NC2CC[NH+](CC3CC3)CC2)(C(=O)[O-])CC1	REAL300012533083	0	55	0.0	-75.50	390.46	9.19	-66.31
COC1=CC=CC(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])=C1	REAL300012533084	0	53	0.0	-77.08	414.58	7.98	-69.10
CC(CCF)(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533085	0	48	0.0	-68.49	357.88	7.11	-61.38
O=C([O-])C1C2=C(CCN1C(=O)NC1CC[NH+](CC3CC3)CC1)OC=C2	REAL300012533086	0	50	0.0	-65.47	381.06	9.12	-56.35
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533087	0	46	0.0	-73.69	362.90	8.28	-65.41
COC1=CC=CC([C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])=C1	REAL300012533088	0	53	0.0	-75.05	412.79	7.97	-67.08
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300012533089	0	55	0.0	-79.86	412.21	10.41	-69.45
COC1=CC=CC(CC(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])=C1	REAL300012533090	0	56	0.0	-76.80	434.84	8.98	-67.82
CC1(C)CCCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)(C(=O)[O-])C1	REAL300012533091	0	58	0.0	-76.26	404.58	9.69	-66.57
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533092	0	47	0.0	-84.05	354.33	9.09	-74.96
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533093	0	55	0.0	-70.75	425.43	10.32	-60.43
CC(NC(=O)NC1CC[NH+](CC2CC2)CC1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012533094	0	54	0.0	-76.93	419.33	10.14	-66.79
COC1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C(C)(C(=O)[O-])C1	REAL300012533095	0	53	0.0	-75.59	396.71	8.09	-67.50
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533096	0	56	0.0	-71.76	414.07	8.19	-63.57
CC(C)(C)[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533097	0	51	0.0	-74.34	377.95	7.71	-66.63
C=C(Cl)CC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533098	0	46	0.0	-68.96	375.62	7.73	-61.23
C=C(C)CC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533099	0	49	0.0	-72.67	380.05	7.97	-64.70
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533100	0	50	0.0	-84.05	368.03	9.93	-74.12
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533101	0	55	0.0	-71.31	415.12	9.87	-61.44
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533102	0	46	0.0	-73.00	360.85	8.22	-64.78
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533103	0	46	0.0	-77.15	353.33	8.18	-68.97
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300012533104	0	47	0.0	-79.43	361.94	8.59	-70.84
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533105	0	56	0.0	-73.51	414.40	8.09	-65.42
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533106	0	51	0.0	-71.65	385.86	7.91	-63.74
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1CCOCC1	REAL300012533107	0	53	0.0	-74.26	397.17	6.65	-67.61
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=CC=C1	REAL300012533108	0	49	0.0	-74.00	384.88	8.77	-65.23
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012533109	0	52	0.0	-73.23	422.03	9.67	-63.56
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533110	0	49	0.0	-72.12	379.03	8.10	-64.02
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533111	0	48	0.0	-72.58	392.08	6.81	-65.77
CC(C)CCCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533112	0	57	0.0	-73.08	429.21	9.43	-63.65
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533113	0	55	0.0	-76.49	434.77	10.14	-66.35
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533114	0	53	0.0	-76.58	404.89	7.07	-69.51
CSCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533115	0	46	0.0	-69.88	370.60	7.02	-62.86
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533116	0	52	0.0	-71.46	411.76	9.75	-61.71
CCC(C)CC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533117	0	54	0.0	-73.09	403.31	8.63	-64.46
C=CCCCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533118	0	52	0.0	-72.55	402.96	8.72	-63.83
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533119	0	52	0.0	-71.84	411.11	9.71	-62.13
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=CC2=CC=CC=C21	REAL300012533120	0	55	0.0	-77.42	423.10	10.87	-66.55
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533121	0	47	0.0	-78.98	358.53	9.54	-69.44
CC(NC(=O)NC1CC[NH+](CC2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012533122	0	52	0.0	-74.72	392.90	9.47	-65.25
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533123	0	50	0.0	-86.02	364.98	9.83	-76.19
CCN(C(=O)NC1CC[NH+](CC2CC2)CC1)C(C)(C)C(=O)[O-]	REAL300012533124	0	51	0.0	-74.58	371.83	9.36	-65.22
CCCN(C(=O)NC1CC[NH+](CC2CC2)CC1)C(C)C(=O)[O-]	REAL300012533125	0	51	0.0	-54.90	377.35	10.03	-44.87
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533126	0	45	0.0	-68.21	359.69	8.92	-59.29
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533127	0	45	0.0	-68.21	359.69	8.92	-59.29
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533128	0	58	0.0	-59.20	435.21	6.92	-52.28
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533129	0	47	0.0	-80.42	357.94	4.82	-75.60
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	REAL300012533130	1	62	0.0	-60.10	457.47	6.61	-53.49
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533131	0	53	0.0	-59.94	401.04	11.36	-48.58
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1C(=O)[O-]	REAL300012533132	0	56	0.0	-65.28	407.62	11.49	-53.79
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533133	0	54	0.0	-72.25	402.86	9.80	-62.45
O=C([O-])[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=CC=C1	REAL300012533134	0	49	0.0	-73.55	383.09	8.76	-64.79
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300012533135	0	52	0.0	-69.45	421.81	9.76	-59.69
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533136	0	54	0.0	-74.37	422.60	8.65	-65.72
C=CCCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533137	0	49	0.0	-71.94	381.21	7.99	-63.95
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533138	0	48	0.0	-75.16	391.87	6.68	-68.48
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533139	0	49	0.0	-69.75	411.62	8.42	-61.33
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533140	0	49	0.0	-87.39	376.48	6.06	-81.33
CN1CC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1=O	REAL300012533141	0	50	0.0	-73.06	373.75	7.77	-65.29
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533142	0	49	0.0	-77.61	362.97	9.06	-68.55
O=C([O-])[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CC=CC=C1	REAL300012533143	0	49	0.0	-73.80	382.69	8.71	-65.09
CC(CN1C=CC=N1)(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533144	0	52	0.0	-74.88	392.76	8.02	-66.86
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCC1	REAL300012533145	0	52	0.0	-57.66	375.35	9.76	-47.90
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533146	0	51	0.0	-72.83	376.73	7.55	-65.28
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC(CO)C1	REAL300012533147	0	50	0.0	-76.38	380.54	4.57	-71.81
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533148	0	58	0.0	-75.61	430.62	7.91	-67.70
CC1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)(C(=O)[O-])C1	REAL300012533149	0	52	0.0	-75.53	383.22	8.32	-67.21
CC1(C)CCCC1(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533150	0	55	0.0	-76.78	391.02	8.93	-67.85
COCCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533151	0	49	0.0	-72.83	380.82	5.67	-67.16
CN(C(=O)NC1CC[NH+](CC2CC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012533152	0	55	0.0	-71.90	414.15	11.55	-60.35
CC1(C)CC(NC(=O)NC2CC[NH+](CC3CC3)CC2)(C(=O)[O-])C1	REAL300012533153	0	52	0.0	-75.35	385.79	8.96	-66.39
CC1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012533154	0	59	0.0	-76.29	431.96	11.00	-65.29
CC1(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])CC1	REAL300012533155	0	49	0.0	-74.36	368.62	7.94	-66.42
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533156	0	58	0.0	-73.94	431.04	7.89	-66.05
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533157	0	47	0.0	-84.22	356.62	5.00	-79.22
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533158	0	57	0.0	-64.45	425.57	12.24	-52.21
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1CCOC1	REAL300012533159	0	50	0.0	-71.67	381.68	5.74	-65.93
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533160	0	50	0.0	-85.08	364.99	9.39	-75.69
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1=CNC2=CC=CC=C12	REAL300012533161	0	53	0.0	-80.75	414.98	8.82	-71.93
O=C([O-])C12COC(CN1C(=O)NC1CC[NH+](CC3CC3)CC1)C2	REAL300012533162	0	48	0.0	-79.11	360.08	7.40	-71.71
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300012533163	0	52	0.0	-80.97	378.34	10.39	-70.58
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533164	0	55	0.0	-72.56	419.56	9.94	-62.62
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533165	0	56	0.0	-72.63	415.37	10.41	-62.22
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1CCC1	REAL300012533166	0	49	0.0	-72.70	372.02	7.65	-65.05
CC1(C)CC(NC(=O)NC2CC[NH+](CC3CC3)CC2)(C(=O)[O-])CC(C)(C)O1	REAL300012533167	0	62	0.0	-74.33	440.54	9.37	-64.96
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCCC1	REAL300012533168	0	55	0.0	-75.11	402.68	8.82	-66.29
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1CCC1	REAL300012533169	0	49	0.0	-72.70	372.02	7.65	-65.05
CC1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1C(=O)[O-]	REAL300012533170	0	49	0.0	-80.18	364.61	8.61	-71.57
O=C([O-])C(CC1CCCCO1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533171	0	56	0.0	-72.40	419.38	8.32	-64.08
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533172	0	56	0.0	-52.73	394.29	10.28	-42.45
CC1(C)CC(NC(=O)NC2CC[NH+](CC3CC3)CC2)(C(=O)[O-])CCO1	REAL300012533173	0	56	0.0	-75.54	397.19	7.61	-67.93
CC1=CC=CC2=C1CCN(C(=O)NC1CC[NH+](CC3CC3)CC1)C2C(=O)[O-]	REAL300012533174	0	56	0.0	-65.36	417.25	11.52	-53.84
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533175	0	50	0.0	-56.50	370.42	9.55	-46.95
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533176	0	56	0.0	-72.63	415.37	10.41	-62.22
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533177	0	52	0.0	-75.41	411.99	9.68	-65.73
COC1CC(NC(=O)NC2CC[NH+](CC3CC3)CC2)(C(=O)[O-])C1	REAL300012533178	0	50	0.0	-78.58	381.64	6.26	-72.32
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC(F)(F)C1	REAL300012533179	0	46	0.0	-72.89	357.77	7.29	-65.60
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](CC3CC3)CC2)(C(=O)[O-])C1	REAL300012533180	0	50	0.0	-75.65	377.56	6.32	-69.33
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1(C(F)(F)F)CC1	REAL300012533181	0	49	0.0	-75.44	387.28	8.36	-67.08
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533182	0	52	0.0	-80.25	376.31	10.30	-69.95
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533183	0	45	0.0	-66.84	362.25	7.33	-59.51
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533184	0	53	0.0	-73.76	401.27	6.72	-67.04
O=C([O-])C(CC1=CC=CS1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533185	0	49	0.0	-74.29	397.48	8.66	-65.63
COCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012533186	0	56	0.0	-72.96	424.29	8.67	-64.29
CC(C)C(C)(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533187	0	51	0.0	-72.04	366.21	7.60	-64.44
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533188	0	47	0.0	-83.26	350.38	9.40	-73.86
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533189	0	50	0.0	-79.76	369.50	9.29	-70.47
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533190	0	55	0.0	-78.47	415.96	12.31	-66.16
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533191	0	58	0.0	-73.90	427.53	9.81	-64.09
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533192	0	55	0.0	-71.57	427.73	10.42	-61.15
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533193	0	55	0.0	-73.16	428.32	10.45	-62.71
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1CC2CCC1C2	REAL300012533194	0	56	0.0	-74.93	409.86	9.43	-65.50
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533195	0	58	0.0	-73.28	427.54	9.81	-63.47
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533196	0	58	0.0	-73.90	427.48	9.81	-64.09
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533197	0	56	0.0	-57.26	408.76	10.42	-46.84
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533198	0	56	0.0	-80.35	403.39	10.29	-70.06
COC1=CC=C(CC(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1	REAL300012533199	0	56	0.0	-74.50	434.83	8.98	-65.52
C=CCSCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533200	0	50	0.0	-70.75	404.90	8.47	-62.28
N#CC1=CC=C(CC(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1	REAL300012533201	0	53	0.0	-72.59	426.15	10.07	-62.52
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533202	0	51	0.0	-69.83	371.35	9.31	-60.52
COC1(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])CCC1	REAL300012533203	0	53	0.0	-70.45	394.10	6.24	-64.21
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCC(C(F)F)CC1	REAL300012533204	0	55	0.0	-73.38	410.08	9.62	-63.76
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCC2=CC=CC=C2C1	REAL300012533205	0	56	0.0	-75.71	414.56	10.73	-64.98
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC(C(F)F)C1	REAL300012533206	0	49	0.0	-78.68	380.13	8.14	-70.54
CC(C)(C)C1=CC=C(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1	REAL300012533208	0	61	0.0	-73.34	459.29	11.08	-62.26
CC(C)C1=CC=C(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1	REAL300012533209	0	58	0.0	-73.72	443.56	10.61	-63.11
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533210	0	46	0.0	-77.15	353.33	8.18	-68.97
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533211	0	48	0.0	-57.88	361.46	9.28	-48.60
CC1(C)CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1C(=O)[O-]	REAL300012533212	0	52	0.0	-79.86	382.05	9.17	-70.69
CCOC1=CC=C(C(NC(=O)NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1	REAL300012533213	0	56	0.0	-73.65	434.65	8.89	-64.76
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533214	0	56	0.0	-79.79	402.52	11.18	-68.61
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1CCC2=CC=CC=C21	REAL300012533215	0	56	0.0	-74.21	425.31	10.54	-63.67
CC(COC1=CC=CC=C1)(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533216	0	56	0.0	-77.65	425.74	9.71	-67.94
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533217	0	52	0.0	-76.45	419.30	9.67	-66.78
CC(C)CCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533218	0	54	0.0	-72.63	406.88	8.69	-63.94
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533219	0	53	0.0	-54.76	393.85	9.95	-44.81
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533220	0	53	0.0	-73.76	401.27	6.72	-67.04
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300012533221	0	50	0.0	-76.77	388.98	9.67	-67.10
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCCC2CC21	REAL300012533222	0	53	0.0	-74.97	385.19	9.18	-65.79
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCC2CC21	REAL300012533223	0	50	0.0	-75.31	371.44	8.55	-66.76
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC2(CCC2)C1	REAL300012533224	0	53	0.0	-75.08	390.91	8.92	-66.16
CN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012533225	0	55	0.0	-72.87	416.10	11.59	-61.28
O=C([O-])C1CC2(CN1C(=O)NC1CC[NH+](CC3CC3)CC1)CCCCC2	REAL300012533226	0	59	0.0	-56.01	421.93	10.96	-45.05
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCC1	REAL300012533227	0	52	0.0	-73.17	388.93	8.33	-64.84
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533228	0	49	0.0	-73.99	376.68	5.85	-68.14
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533229	0	49	0.0	-76.90	358.38	7.58	-69.32
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533230	0	52	0.0	-60.98	405.86	11.44	-49.54
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300012533231	0	52	0.0	-56.27	385.76	9.30	-46.97
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533232	0	53	0.0	-60.78	411.23	11.08	-49.70
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533233	0	49	0.0	-78.76	369.81	9.62	-69.14
O=C([O-])C1N(C(=O)NC2CC[NH+](CC3CC3)CC2)CCC1(F)F	REAL300012533234	0	46	0.0	-82.63	359.87	8.25	-74.38
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533235	0	52	0.0	-75.41	411.99	9.68	-65.73
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533236	0	49	0.0	-73.20	396.15	8.59	-64.61
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533237	0	49	0.0	-69.73	375.11	9.17	-60.56
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC2(CC(F)(F)C2)C1	REAL300012533238	0	53	0.0	-75.98	410.34	9.33	-66.65
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533239	0	57	0.0	-77.59	435.25	10.92	-66.67
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533240	0	49	0.0	-73.20	396.15	8.59	-64.61
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533241	0	53	0.0	-82.13	381.64	9.62	-72.51
COCCCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533242	0	52	0.0	-71.62	402.08	6.50	-65.12
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533243	0	51	0.0	-71.03	379.07	9.38	-61.65
CCOCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533244	0	49	0.0	-75.11	380.86	5.82	-69.29
CC(C)(C)CC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533245	0	54	0.0	-73.75	398.00	9.01	-64.74
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCCO1	REAL300012533246	0	53	0.0	-75.86	397.91	7.16	-68.70
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC2=CC=CC=C2C1	REAL300012533247	0	53	0.0	-74.52	401.26	9.86	-64.66
C[C@H]1OCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1C(=O)[O-]	REAL300012533248	0	50	0.0	-79.26	370.30	8.11	-71.15
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533249	0	52	0.0	-74.26	388.33	9.45	-64.81
N#CCCC(NC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300012533250	0	46	0.0	-74.53	368.00	7.10	-67.43
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CC2)CC1)C12CC3CC(CC(C3)C1)C2	REAL300012533251	0	63	0.0	-74.05	438.10	10.72	-63.33
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533252	0	55	0.0	-75.73	430.88	9.97	-65.76
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533253	0	49	0.0	-59.45	387.53	9.58	-49.87
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533254	0	60	0.0	-78.79	419.48	10.03	-68.76
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300012533255	0	51	0.0	-69.17	417.12	8.29	-60.88
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300012533256	0	53	0.0	-75.99	401.28	8.33	-67.66
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCSC(F)(F)F)CC1	REAL300012533523	0	47	0.0	-56.89	390.52	5.97	-50.92
C=CCOCC(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533651	0	47	0.0	-72.84	367.54	5.37	-67.47
C=CCOCC(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533651	1	47	0.0	-72.18	367.79	5.28	-66.90
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1CCOCC1	REAL300012533652	0	50	0.0	-73.58	364.96	5.40	-68.18
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1CCOCC1	REAL300012533652	1	50	0.0	-71.37	365.08	5.35	-66.02
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=C(F)C(F)=C1	REAL300012533653	0	46	0.0	-67.80	369.70	7.81	-59.99
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=C(F)C(F)=C1	REAL300012533653	1	46	0.0	-67.73	369.80	7.76	-59.97
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=C(Cl)C(F)=C1	REAL300012533654	0	46	0.0	-67.84	379.81	8.18	-59.66
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=C(Cl)C(F)=C1	REAL300012533654	1	46	0.0	-67.52	379.69	8.21	-59.31
COC1CCN(C(=O)NC2CC[N@@H+]3CCCC3C2)C(C(=O)[O-])C1	REAL300012533655	0	50	0.0	-79.11	359.59	7.59	-71.52
COC1CCN(C(=O)NC2CC[N@H+]3CCCC3C2)C(C(=O)[O-])C1	REAL300012533655	1	50	0.0	-78.09	361.21	7.57	-70.52
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1CCCOC1	REAL300012533656	0	50	0.0	-68.66	371.06	5.62	-63.04
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1CCCOC1	REAL300012533656	1	50	0.0	-67.13	365.11	5.39	-61.74
CC1CCN(C(=O)NC2CC[N@@H+]3CCCC3C2)C(C(=O)[O-])C1	REAL300012533657	0	49	0.0	-79.87	341.16	9.02	-70.85
CC1CCN(C(=O)NC2CC[N@H+]3CCCC3C2)C(C(=O)[O-])C1	REAL300012533657	1	49	0.0	-80.21	340.97	8.95	-71.26
CC1=CC(C(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])=CC=C1F	REAL300012533658	0	49	0.0	-68.36	383.72	8.39	-59.97
CC1=CC(C(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])=CC=C1F	REAL300012533658	1	49	0.0	-66.70	383.81	8.34	-58.36
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=C2OCCC2=C1	REAL300012533659	0	51	0.0	-69.76	389.64	7.68	-62.08
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=C2OCCC2=C1	REAL300012533659	1	51	0.0	-68.75	389.53	7.73	-61.02
CC1=CC(C(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])=CC(C)=C1	REAL300012533660	0	52	0.0	-73.60	396.52	9.15	-64.45
CC1=CC(C(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])=CC(C)=C1	REAL300012533660	1	52	0.0	-69.90	396.02	9.20	-60.70
CC1=CC=C(C(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1C	REAL300012533661	0	52	0.0	-72.37	395.39	8.89	-63.48
CC1=CC=C(C(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1C	REAL300012533661	1	52	0.0	-70.75	395.52	8.84	-61.91
COC1=CC=C(C(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1Cl	REAL300012533662	0	50	0.0	-71.25	402.76	7.45	-63.80
COC1=CC=C(C(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1Cl	REAL300012533662	1	50	0.0	-70.97	402.64	7.49	-63.48
CC1=CC=CC(C(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])=C1C	REAL300012533663	0	52	0.0	-71.43	389.02	8.71	-62.72
CC1=CC=CC(C(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])=C1C	REAL300012533663	1	52	0.0	-72.46	385.34	8.96	-63.50
COC1=CC=C(C(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1F	REAL300012533664	0	50	0.0	-71.99	392.96	6.97	-65.02
COC1=CC=C(C(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1F	REAL300012533664	1	50	0.0	-71.63	392.84	7.01	-64.62
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533665	0	52	0.0	-53.40	416.73	11.35	-42.05
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533665	1	52	0.0	-53.64	416.80	11.30	-42.34
CC(C(=O)[O-])N(C(=O)NC1CC[N@@H+]2CCCC2C1)C1CCC1	REAL300012533666	0	49	0.0	-60.11	349.41	8.59	-51.52
CC(C(=O)[O-])N(C(=O)NC1CC[N@H+]2CCCC2C1)C1CCC1	REAL300012533666	1	49	0.0	-58.25	353.64	8.51	-49.74
CCCN(C(=O)NC1CC[N@@H+]2CCCC2C1)C(COC)C(=O)[O-]	REAL300012533667	0	52	0.0	-68.05	378.28	7.71	-60.34
CCCN(C(=O)NC1CC[N@H+]2CCCC2C1)C(COC)C(=O)[O-]	REAL300012533667	1	52	0.0	-68.09	379.23	7.74	-60.35
CCCN(C(=O)NC1CC[N@@H+]2CCCC2C1)C(CC)C(=O)[O-]	REAL300012533668	0	51	0.0	-48.46	362.98	9.69	-38.77
CCCN(C(=O)NC1CC[N@H+]2CCCC2C1)C(CC)C(=O)[O-]	REAL300012533668	1	51	0.0	-69.40	366.88	9.11	-60.29
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=C(Cl)C=C1	REAL300012533669	0	46	0.0	-68.17	374.22	8.05	-60.12
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=C(Cl)C=C1	REAL300012533669	1	46	0.0	-68.26	374.09	8.09	-60.17
O=C([O-])C1CSCCN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533670	0	44	0.0	-77.31	331.44	8.70	-68.61
O=C([O-])C1CSCCN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533670	1	44	0.0	-78.00	326.98	8.64	-69.36
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CCCCC1	REAL300012533671	0	49	0.0	-71.64	350.57	7.72	-63.92
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CCCCC1	REAL300012533671	1	49	0.0	-76.74	347.12	7.92	-68.82
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CCCCCC1	REAL300012533672	0	52	0.0	-71.47	360.31	8.28	-63.19
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CCCCCC1	REAL300012533672	1	52	0.0	-71.58	356.90	8.46	-63.12
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533673	0	49	0.0	-72.34	379.49	8.56	-63.78
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533673	1	49	0.0	-71.71	378.72	8.52	-63.19
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533674	0	49	0.0	-55.81	377.98	10.35	-45.46
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533674	1	49	0.0	-55.93	378.05	10.30	-45.63
O=C([O-])[C@H](NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=CC=C1	REAL300012533675	0	46	0.0	-71.95	357.24	7.60	-64.35
O=C([O-])[C@H](NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=CC=C1	REAL300012533675	1	46	0.0	-72.37	353.50	7.91	-64.46
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=CC=C1	REAL300012533676	0	46	0.0	-69.01	353.65	7.85	-61.16
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=CC=C1	REAL300012533676	1	46	0.0	-71.87	357.34	7.55	-64.32
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533677	0	49	0.0	-72.34	379.49	8.56	-63.78
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533677	1	49	0.0	-71.71	378.72	8.52	-63.19
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533678	0	50	0.0	-79.40	365.00	10.75	-68.65
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533678	1	50	0.0	-79.17	368.97	10.68	-68.49
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=CS1	REAL300012533679	0	43	0.0	-67.78	345.35	6.93	-60.85
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=CS1	REAL300012533679	1	43	0.0	-67.84	345.45	6.93	-60.91
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CCCCC1	REAL300012533680	0	49	0.0	-71.64	350.57	7.72	-63.92
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CCCCC1	REAL300012533680	1	49	0.0	-76.74	347.12	7.92	-68.82
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533681	0	49	0.0	-53.55	394.73	10.87	-42.68
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533681	1	49	0.0	-53.80	394.80	10.82	-42.98
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533682	0	53	0.0	-74.89	405.17	8.80	-66.09
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533682	1	53	0.0	-73.30	408.59	8.61	-64.69
COC1=CC(CN(CC(=O)[O-])C(=O)NC2CC[N@@H+]3CCCC3C2)=CC(OC)=C1	REAL300012533683	0	57	0.0	-60.21	433.51	9.17	-51.04
COC1=CC(CN(CC(=O)[O-])C(=O)NC2CC[N@H+]3CCCC3C2)=CC(OC)=C1	REAL300012533683	1	57	0.0	-53.96	433.60	9.15	-44.81
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=C(Br)C=C1	REAL300012533684	0	46	0.0	-67.96	378.78	8.16	-59.80
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=C(Br)C=C1	REAL300012533684	1	46	0.0	-68.03	378.65	8.19	-59.84
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533685	0	49	0.0	-53.75	384.40	10.42	-43.33
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533685	1	49	0.0	-53.99	384.47	10.37	-43.62
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CC2=CC=CC=C2C1	REAL300012533686	0	50	0.0	-72.04	376.71	8.89	-63.15
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CC2=CC=CC=C2C1	REAL300012533686	1	50	0.0	-71.61	376.82	8.80	-62.81
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC(F)=CC=C1F	REAL300012533687	0	46	0.0	-72.28	363.71	7.99	-64.29
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC(F)=CC=C1F	REAL300012533687	1	46	0.0	-70.24	368.15	7.75	-62.49
CC(NC(=O)NC1CC[N@@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012533688	0	49	0.0	-69.99	361.67	8.55	-61.44
CC(NC(=O)NC1CC[N@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012533688	1	49	0.0	-71.80	365.13	8.33	-63.47
CCCCCCC(C)(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533689	0	57	0.0	-68.17	411.19	8.98	-59.19
CCCCCCC(C)(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533689	1	57	0.0	-68.02	411.31	8.94	-59.08
CN(C(=O)NC1CC[N@@H+]2CCCC2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012533690	0	52	0.0	-70.56	388.56	10.58	-59.98
CN(C(=O)NC1CC[N@H+]2CCCC2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012533690	1	52	0.0	-70.40	388.12	10.43	-59.97
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=C(Cl)C=C1	REAL300012533691	0	46	0.0	-68.17	374.22	8.05	-60.12
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=C(Cl)C=C1	REAL300012533691	1	46	0.0	-68.26	374.09	8.09	-60.17
CN(C(=O)NC1CC[N@@H+]2CCCC2C1)C1(C(=O)[O-])CCCCC1	REAL300012533692	0	52	0.0	-73.20	356.44	9.24	-63.96
CN(C(=O)NC1CC[N@H+]2CCCC2C1)C1(C(=O)[O-])CCCCC1	REAL300012533692	1	52	0.0	-73.06	359.98	9.00	-64.06
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533693	0	52	0.0	-58.84	397.05	11.29	-47.55
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533693	1	52	0.0	-59.68	400.51	11.08	-48.60
CN(C(=O)NC1CC[N@@H+]2CCCC2C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012533694	0	49	0.0	-68.05	364.49	9.18	-58.87
CN(C(=O)NC1CC[N@H+]2CCCC2C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012533694	1	49	0.0	-74.38	367.83	9.12	-65.26
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CCC2=CC=CC=C21	REAL300012533695	0	50	0.0	-77.21	368.56	8.83	-68.38
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CCC2=CC=CC=C21	REAL300012533695	1	50	0.0	-75.27	372.03	8.63	-66.64
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533696	0	53	0.0	-76.19	409.78	8.74	-67.45
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533696	1	53	0.0	-81.04	409.65	8.78	-72.26
O=C([O-])C1CCCCCN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533697	0	49	0.0	-78.55	343.78	9.61	-68.94
O=C([O-])C1CCCCCN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533697	1	49	0.0	-77.42	345.59	9.40	-68.02
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533698	0	52	0.0	-58.84	397.05	11.29	-47.55
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533698	1	52	0.0	-59.68	400.51	11.08	-48.60
O=C([O-])CN(C(=O)NC1CC[N@@H+]2CCCC2C1)C1CCCC1	REAL300012533699	0	49	0.0	-54.71	355.37	8.92	-45.79
O=C([O-])CN(C(=O)NC1CC[N@H+]2CCCC2C1)C1CCCC1	REAL300012533699	1	49	0.0	-57.74	355.43	8.91	-48.83
CCCCCC(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533700	0	51	0.0	-70.26	385.31	7.93	-62.33
CCCCCC(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533700	1	51	0.0	-72.14	382.09	8.07	-64.07
CCC1CCC(NC(=O)NC2CC[N@@H+]3CCCC3C2)(C(=O)[O-])CC1	REAL300012533701	0	55	0.0	-73.97	389.65	8.97	-65.00
CCC1CCC(NC(=O)NC2CC[N@H+]3CCCC3C2)(C(=O)[O-])CC1	REAL300012533701	1	55	0.0	-76.63	386.16	9.20	-67.43
O=C([O-])CN(C(=O)NC1CC[N@@H+]2CCCC2C1)C1CCOCC1	REAL300012533702	0	50	0.0	-55.19	363.81	7.24	-47.95
O=C([O-])CN(C(=O)NC1CC[N@H+]2CCCC2C1)C1CCOCC1	REAL300012533702	1	50	0.0	-55.34	363.93	7.20	-48.14
CN(C(=O)NC1CC[N@@H+]2CCCC2C1)C1(C(=O)[O-])CCCC1	REAL300012533703	0	49	0.0	-79.40	343.04	8.53	-70.87
CN(C(=O)NC1CC[N@H+]2CCCC2C1)C1(C(=O)[O-])CCCC1	REAL300012533703	1	49	0.0	-74.51	343.17	8.57	-65.94
CCC(C(=O)[O-])N(C(=O)NC1CC[N@@H+]2CCCC2C1)C1CC1	REAL300012533704	0	49	0.0	-65.63	344.99	8.82	-56.81
CCC(C(=O)[O-])N(C(=O)NC1CC[N@H+]2CCCC2C1)C1CC1	REAL300012533704	1	49	0.0	-58.94	354.33	9.24	-49.70
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=CC=C1Cl	REAL300012533705	0	46	0.0	-74.69	365.70	8.26	-66.43
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=CC=C1Cl	REAL300012533705	1	46	0.0	-71.62	365.77	8.26	-63.36
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=CC=C1F	REAL300012533706	0	46	0.0	-78.17	357.89	7.99	-70.18
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=CC=C1F	REAL300012533706	1	46	0.0	-74.64	357.47	7.95	-66.69
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533707	0	50	0.0	-62.57	371.85	10.04	-52.53
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533707	1	50	0.0	-60.83	372.61	9.87	-50.96
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533708	0	49	0.0	-68.50	390.18	8.52	-59.98
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533708	1	49	0.0	-72.71	394.74	8.87	-63.84
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533709	0	55	0.0	-75.75	423.41	10.54	-65.21
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533709	1	55	0.0	-73.73	423.26	10.57	-63.16
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533710	0	55	0.0	-73.14	398.04	8.90	-64.24
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533710	1	55	0.0	-70.77	400.67	8.71	-62.06
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533711	0	52	0.0	-56.50	386.48	11.13	-45.37
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533711	1	52	0.0	-55.22	386.01	10.97	-44.25
CC1=CC=C(C(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300012533712	0	49	0.0	-69.51	378.25	8.24	-61.27
CC1=CC=C(C(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300012533712	1	49	0.0	-69.92	378.52	8.32	-61.60
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533713	0	42	0.0	-64.54	336.75	6.31	-58.23
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533713	1	42	0.0	-65.82	333.53	6.43	-59.39
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC2=CC=CC=C2C=C1	REAL300012533714	0	52	0.0	-73.86	399.47	10.17	-63.69
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC2=CC=CC=C2C=C1	REAL300012533714	1	52	0.0	-71.16	399.81	10.08	-61.08
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CCSCC1	REAL300012533715	0	47	0.0	-68.00	344.87	7.59	-60.41
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CCSCC1	REAL300012533715	1	47	0.0	-67.77	348.42	7.35	-60.42
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533716	0	49	0.0	-69.17	360.35	7.18	-61.99
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533716	1	49	0.0	-66.86	363.64	6.91	-59.95
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533717	0	55	0.0	-53.83	406.31	11.62	-42.21
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533717	1	55	0.0	-52.47	400.57	10.93	-41.54
O=C([O-])CN(CCC(F)(F)F)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533718	0	45	0.0	-55.48	358.62	8.48	-47.00
O=C([O-])CN(CCC(F)(F)F)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533718	1	45	0.0	-55.66	358.74	8.44	-47.22
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1CCCCC1	REAL300012533719	0	52	0.0	-71.89	373.50	8.12	-63.77
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1CCCCC1	REAL300012533719	1	52	0.0	-70.94	377.95	7.97	-62.97
CN(C(=O)NC1CC[N@@H+]2CCCC2C1)C(COC1CCC1)C(=O)[O-]	REAL300012533720	0	53	0.0	-68.07	389.99	8.42	-59.65
CN(C(=O)NC1CC[N@H+]2CCCC2C1)C(COC1CCC1)C(=O)[O-]	REAL300012533720	1	53	0.0	-67.39	390.48	8.26	-59.13
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533721	0	53	0.0	-81.05	390.98	11.86	-69.19
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533721	1	53	0.0	-79.19	393.15	11.76	-67.43
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CCOCC1	REAL300012533722	0	47	0.0	-71.12	338.60	5.43	-65.69
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CCOCC1	REAL300012533722	1	47	0.0	-75.87	338.53	5.47	-70.40
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533723	0	52	0.0	-72.71	387.12	11.22	-61.49
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533723	1	52	0.0	-53.88	381.03	11.40	-42.48
COC1=CC=C(C(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300012533724	0	50	0.0	-71.06	386.74	6.91	-64.15
COC1=CC=C(C(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300012533724	1	50	0.0	-69.61	386.61	6.94	-62.67
CCC(COC)(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533725	0	49	0.0	-75.73	359.88	6.10	-69.63
CCC(COC)(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533725	1	49	0.0	-73.30	359.99	6.04	-67.26
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533726	0	52	0.0	-69.33	383.48	7.67	-61.66
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533726	1	52	0.0	-68.52	383.83	7.55	-60.97
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CCS(=O)(=O)CC1	REAL300012533727	0	49	0.0	-73.35	363.70	3.92	-69.43
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CCS(=O)(=O)CC1	REAL300012533727	1	49	0.0	-77.54	363.63	3.97	-73.57
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533728	0	51	0.0	-68.52	369.34	8.87	-59.65
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533728	1	51	0.0	-66.16	369.44	8.91	-57.25
O=C([O-])C(CC(F)F)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533729	0	42	0.0	-70.16	333.41	5.82	-64.34
O=C([O-])C(CC(F)F)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533729	1	42	0.0	-66.86	328.22	6.26	-60.60
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533730	0	52	0.0	-82.12	368.09	10.17	-71.95
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533730	1	52	0.0	-80.47	370.85	10.13	-70.34
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533731	0	52	0.0	-53.15	383.26	11.34	-41.81
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533731	1	52	0.0	-52.82	387.74	11.18	-41.64
CCC(NC(=O)NC1CC[N@@H+]2CCCC2C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012533732	0	52	0.0	-67.29	398.91	9.69	-57.60
CCC(NC(=O)NC1CC[N@H+]2CCCC2C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012533732	1	52	0.0	-69.38	398.72	9.71	-59.67
CCC(NC(=O)NC1CC[N@@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012533733	0	52	0.0	-74.45	378.57	9.41	-65.04
CCC(NC(=O)NC1CC[N@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012533733	1	52	0.0	-70.70	382.14	9.22	-61.48
COC1CCCC(C(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C1	REAL300012533734	0	56	0.0	-73.09	403.08	7.04	-66.05
COC1CCCC(C(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C1	REAL300012533734	1	56	0.0	-71.34	406.88	7.21	-64.13
COC1(CC(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])CCC1	REAL300012533735	0	53	0.0	-68.93	388.73	7.25	-61.68
COC1(CC(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])CCC1	REAL300012533735	1	53	0.0	-70.60	388.07	7.13	-63.47
O=C([O-])CN(C(=O)NC1CC[N@@H+]2CCCC2C1)C1CCOCC1	REAL300012533736	0	50	0.0	-55.19	363.81	7.24	-47.95
O=C([O-])CN(C(=O)NC1CC[N@H+]2CCCC2C1)C1CCOCC1	REAL300012533736	1	50	0.0	-55.34	363.93	7.20	-48.14
O=C([O-])CN(C(=O)NC1CC[N@@H+]2CCCC2C1)C1CCCCC1	REAL300012533737	0	52	0.0	-55.20	372.76	9.62	-45.58
O=C([O-])CN(C(=O)NC1CC[N@H+]2CCCC2C1)C1CCCCC1	REAL300012533737	1	52	0.0	-58.30	372.84	9.61	-48.69
C[C@H]1CC[C@@](NC(=O)NC2CC[N@@H+]3CCCC3C2)(C(=O)[O-])CC1	REAL300012533738	0	52	0.0	-74.26	364.37	8.11	-66.15
C[C@H]1CC[C@@](NC(=O)NC2CC[N@H+]3CCCC3C2)(C(=O)[O-])CC1	REAL300012533738	1	52	0.0	-74.18	364.74	8.10	-66.08
COC1=CC=CC(C(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])=C1	REAL300012533739	0	50	0.0	-72.32	383.23	7.13	-65.19
COC1=CC=CC(C(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])=C1	REAL300012533739	1	50	0.0	-72.29	383.33	7.13	-65.16
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=CC=C1Br	REAL300012533740	0	46	0.0	-73.76	368.85	8.32	-65.44
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=CC=C1Br	REAL300012533740	1	46	0.0	-70.67	368.93	8.32	-62.35
CC(CCF)(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533741	0	45	0.0	-64.93	331.79	6.03	-58.90
CC(CCF)(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533741	1	45	0.0	-64.80	331.90	5.99	-58.81
O=C([O-])C1C2=C(CCN1C(=O)NC1CC[N@@H+]3CCCC3C1)OC=C2	REAL300012533742	0	47	0.0	-62.84	353.94	8.09	-54.75
O=C([O-])C1C2=C(CCN1C(=O)NC1CC[N@H+]3CCCC3C1)OC=C2	REAL300012533742	1	47	0.0	-62.94	354.03	8.06	-54.88
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533743	0	43	0.0	-70.36	333.70	7.23	-63.13
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533743	1	43	0.0	-68.62	333.65	7.25	-61.37
COC1=CC=CC([C@H](NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])=C1	REAL300012533744	0	50	0.0	-72.11	386.59	6.93	-65.18
COC1=CC=CC([C@H](NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])=C1	REAL300012533744	1	50	0.0	-72.23	383.30	7.09	-65.14
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300012533745	0	52	0.0	-71.38	386.97	8.48	-62.90
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300012533745	1	52	0.0	-72.51	383.27	8.65	-63.86
COC1=CC=CC(CC(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])=C1	REAL300012533746	0	53	0.0	-75.39	409.24	7.78	-67.61
COC1=CC=CC(CC(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])=C1	REAL300012533746	1	53	0.0	-78.02	405.53	8.05	-69.97
CC1(C)CCCC(NC(=O)NC2CC[N@@H+]3CCCC3C2)(C(=O)[O-])C1	REAL300012533747	0	55	0.0	-72.65	378.49	8.62	-64.03
CC1(C)CCCC(NC(=O)NC2CC[N@H+]3CCCC3C2)(C(=O)[O-])C1	REAL300012533747	1	55	0.0	-78.31	375.06	8.81	-69.50
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533748	0	52	0.0	-67.06	399.35	9.25	-57.81
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533748	1	52	0.0	-67.00	399.46	9.21	-57.79
CC(NC(=O)NC1CC[N@@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012533749	0	51	0.0	-73.28	393.45	9.01	-64.27
CC(NC(=O)NC1CC[N@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012533749	1	51	0.0	-73.36	393.35	9.00	-64.36
COC1CN(C(=O)NC2CC[N@@H+]3CCCC3C2)C(C)(C(=O)[O-])C1	REAL300012533750	0	50	0.0	-76.78	370.26	6.95	-69.83
COC1CN(C(=O)NC2CC[N@H+]3CCCC3C2)C(C)(C(=O)[O-])C1	REAL300012533750	1	50	0.0	-74.03	370.33	6.95	-67.08
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533751	0	53	0.0	-71.61	389.12	6.53	-65.08
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533751	1	53	0.0	-69.57	388.39	7.00	-62.57
C=C(Cl)CC(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533752	0	43	0.0	-66.94	349.53	6.65	-60.29
C=C(Cl)CC(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533752	1	43	0.0	-70.63	350.20	6.61	-64.02
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533753	0	47	0.0	-79.77	340.18	8.84	-70.93
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533753	1	47	0.0	-85.15	338.43	9.04	-76.11
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533754	0	52	0.0	-67.68	389.03	8.79	-58.89
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533754	1	52	0.0	-67.58	389.14	8.76	-58.82
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533755	0	43	0.0	-68.66	333.71	7.19	-61.47
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533755	1	43	0.0	-70.97	335.19	7.14	-63.83
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533756	0	53	0.0	-73.70	388.21	6.59	-67.11
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533756	1	53	0.0	-72.24	392.64	6.31	-65.93
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1CCOCC1	REAL300012533757	0	50	0.0	-73.58	364.96	5.40	-68.18
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1CCOCC1	REAL300012533757	1	50	0.0	-71.37	365.08	5.35	-66.02
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=CC=C1	REAL300012533758	0	46	0.0	-69.01	353.65	7.85	-61.16
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=CC=C1	REAL300012533758	1	46	0.0	-71.87	357.34	7.55	-64.32
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=CC(C(F)(F)F)=C1	REAL300012533759	0	49	0.0	-68.62	392.24	8.91	-59.71
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=CC(C(F)(F)F)=C1	REAL300012533759	1	49	0.0	-68.46	392.29	8.89	-59.57
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533760	0	45	0.0	-71.10	366.48	5.61	-65.49
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533760	1	45	0.0	-67.07	362.57	5.91	-61.16
CC(C)CCCC(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533761	0	54	0.0	-70.32	402.88	8.43	-61.89
CC(C)CCCC(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533761	1	54	0.0	-68.58	403.24	8.34	-60.24
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533762	0	52	0.0	-70.28	409.36	8.95	-61.33
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533762	1	52	0.0	-68.63	409.48	8.90	-59.73
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533763	0	50	0.0	-76.58	373.76	6.13	-70.45
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533763	1	50	0.0	-73.18	377.34	5.93	-67.25
CSCC(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533764	0	43	0.0	-67.79	344.52	5.95	-61.84
CSCC(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533764	1	43	0.0	-67.51	344.41	5.96	-61.55
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533765	0	49	0.0	-67.98	382.43	8.79	-59.19
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533765	1	49	0.0	-67.90	385.72	8.67	-59.23
CCC(C)CC(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533766	0	51	0.0	-71.44	378.12	7.50	-63.94
CCC(C)CC(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533766	1	51	0.0	-71.31	378.24	7.44	-63.87
C=CCCCC(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533767	0	49	0.0	-70.41	376.62	7.71	-62.70
C=CCCCC(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533767	1	49	0.0	-72.31	373.41	7.85	-64.46
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533768	0	49	0.0	-67.67	385.01	8.64	-59.03
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533768	1	49	0.0	-67.47	381.52	8.85	-58.62
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=CC2=CC=CC=C21	REAL300012533769	0	52	0.0	-75.85	393.52	10.02	-65.83
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=CC2=CC=CC=C21	REAL300012533769	1	52	0.0	-69.61	394.93	10.25	-59.36
O=C([O-])C1CSCCN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533770	0	44	0.0	-77.31	331.44	8.70	-68.61
O=C([O-])C1CSCCN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533770	1	44	0.0	-78.00	326.98	8.64	-69.36
CC(NC(=O)NC1CC[N@@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012533771	0	49	0.0	-69.99	361.67	8.55	-61.44
CC(NC(=O)NC1CC[N@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012533771	1	49	0.0	-71.80	365.13	8.33	-63.47
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533772	0	47	0.0	-84.57	337.92	9.21	-75.36
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533772	1	47	0.0	-81.24	341.51	8.95	-72.29
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533773	0	42	0.0	-65.72	333.61	7.84	-57.88
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533773	1	42	0.0	-64.60	333.73	7.80	-56.80
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533774	0	42	0.0	-65.72	333.61	7.84	-57.88
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533774	1	42	0.0	-64.60	333.73	7.80	-56.80
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533775	0	55	0.0	-56.38	407.37	5.82	-50.56
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533775	1	55	0.0	-59.41	407.45	5.84	-53.57
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC[N@@H+]3CCCC3C2)CC1	REAL300012533776	1	59	0.0	-52.27	423.82	5.68	-46.59
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC[N@H+]3CCCC3C2)CC1	REAL300012533776	1	59	0.0	-59.09	432.62	5.70	-53.39
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533777	0	50	0.0	-52.58	374.02	10.47	-42.11
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533777	1	50	0.0	-54.70	374.16	10.25	-44.45
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC[N@@H+]3CCCC3C2)[C@H]1C(=O)[O-]	REAL300012533778	0	53	0.0	-63.04	380.34	10.81	-52.23
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC[N@H+]3CCCC3C2)[C@H]1C(=O)[O-]	REAL300012533778	1	53	0.0	-55.17	380.76	10.90	-44.27
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533779	0	51	0.0	-65.89	373.16	8.98	-56.91
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533779	1	51	0.0	-70.38	372.89	8.95	-61.43
O=C([O-])[C@H](NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=CC=C1	REAL300012533780	0	46	0.0	-71.95	357.24	7.60	-64.35
O=C([O-])[C@H](NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=CC=C1	REAL300012533780	1	46	0.0	-72.37	353.50	7.91	-64.46
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300012533781	0	49	0.0	-65.33	395.58	8.57	-56.76
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300012533781	1	49	0.0	-65.71	395.85	8.64	-57.07
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533782	0	51	0.0	-72.65	397.34	7.55	-65.10
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533782	1	51	0.0	-70.15	397.22	7.57	-62.58
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533783	0	45	0.0	-73.54	366.26	5.48	-68.06
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533783	1	45	0.0	-75.72	362.55	5.75	-69.97
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533784	0	46	0.0	-67.85	381.34	7.54	-60.31
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533784	1	46	0.0	-66.62	384.75	7.35	-59.27
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533785	0	46	0.0	-86.60	346.64	5.15	-81.45
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533785	1	46	0.0	-87.57	346.71	5.19	-82.38
CN1CC(C(=O)[O-])N(C(=O)NC2CC[N@@H+]3CCCC3C2)CC1=O	REAL300012533786	0	47	0.0	-70.51	344.39	6.87	-63.64
CN1CC(C(=O)[O-])N(C(=O)NC2CC[N@H+]3CCCC3C2)CC1=O	REAL300012533786	1	47	0.0	-70.17	348.21	6.75	-63.42
O=C([O-])[C@@H](NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=CC=C1	REAL300012533787	0	46	0.0	-72.30	353.60	7.85	-64.45
O=C([O-])[C@@H](NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=CC=C1	REAL300012533787	1	46	0.0	-69.02	353.14	7.86	-61.16
CC(CN1C=CC=N1)(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533788	0	49	0.0	-68.65	371.24	6.90	-61.75
CC(CN1C=CC=N1)(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533788	1	49	0.0	-71.06	371.02	6.95	-64.11
O=C([O-])CN(C(=O)NC1CC[N@@H+]2CCCC2C1)C1CCCC1	REAL300012533789	0	49	0.0	-54.71	355.37	8.92	-45.79
O=C([O-])CN(C(=O)NC1CC[N@H+]2CCCC2C1)C1CCCC1	REAL300012533789	1	49	0.0	-57.74	355.43	8.91	-48.83
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CC(CO)C1	REAL300012533790	0	47	0.0	-78.09	349.36	3.60	-74.49
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CC(CO)C1	REAL300012533790	1	47	0.0	-82.06	349.31	3.60	-78.46
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533791	0	55	0.0	-70.30	403.84	6.87	-63.43
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533791	1	55	0.0	-69.24	400.26	7.10	-62.14
CC1CCC(NC(=O)NC2CC[N@@H+]3CCCC3C2)(C(=O)[O-])C1	REAL300012533792	0	49	0.0	-73.87	356.49	7.21	-66.66
CC1CCC(NC(=O)NC2CC[N@H+]3CCCC3C2)(C(=O)[O-])C1	REAL300012533792	1	49	0.0	-76.99	352.70	7.47	-69.52
CC1(C)CCCC1(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533793	0	52	0.0	-76.77	363.25	8.17	-68.60
CC1(C)CCCC1(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533793	1	52	0.0	-72.19	365.13	7.82	-64.37
CN(C(=O)NC1CC[N@@H+]2CCCC2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012533794	0	52	0.0	-70.56	388.56	10.58	-59.98
CN(C(=O)NC1CC[N@H+]2CCCC2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012533794	1	52	0.0	-70.40	388.12	10.43	-59.97
CC1(C)CC(NC(=O)NC2CC[N@@H+]3CCCC3C2)(C(=O)[O-])C1	REAL300012533795	0	49	0.0	-75.21	358.43	7.90	-67.31
CC1(C)CC(NC(=O)NC2CC[N@H+]3CCCC3C2)(C(=O)[O-])C1	REAL300012533795	1	49	0.0	-77.89	354.84	8.13	-69.76
CC1CCC(NC(=O)NC2CC[N@@H+]3CCCC3C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012533796	0	56	0.0	-72.46	405.92	9.91	-62.55
CC1CCC(NC(=O)NC2CC[N@H+]3CCCC3C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012533796	1	56	0.0	-78.98	402.86	10.20	-68.78
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533797	0	55	0.0	-68.90	401.59	6.98	-61.92
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533797	1	55	0.0	-70.18	405.00	6.81	-63.37
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533798	0	54	0.0	-62.42	395.82	11.27	-51.15
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533798	1	54	0.0	-57.47	395.60	11.22	-46.25
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1CCOC1	REAL300012533799	0	47	0.0	-67.42	344.62	4.70	-62.72
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1CCOC1	REAL300012533799	1	47	0.0	-71.42	344.72	4.66	-66.76
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533800	0	47	0.0	-83.16	338.20	8.79	-74.37
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533800	1	47	0.0	-80.09	341.56	8.59	-71.50
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CNC2=CC=CC=C12	REAL300012533801	0	50	0.0	-77.59	385.79	7.85	-69.74
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CNC2=CC=CC=C12	REAL300012533801	1	50	0.0	-76.09	385.28	7.88	-68.21
O=C([O-])C12COC(CN1C(=O)NC1CC[N@@H+]3CCCC3C1)C2	REAL300012533802	0	45	0.0	-78.42	331.05	6.45	-71.97
O=C([O-])C12COC(CN1C(=O)NC1CC[N@H+]3CCCC3C1)C2	REAL300012533802	1	45	0.0	-77.48	331.04	6.45	-71.03
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300012533803	0	49	0.0	-78.66	347.41	9.52	-69.14
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300012533803	1	49	0.0	-80.23	348.22	9.46	-70.77
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533804	0	52	0.0	-70.22	386.64	8.59	-61.63
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533804	1	52	0.0	-70.64	394.74	8.90	-61.74
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533805	0	53	0.0	-72.12	384.95	9.52	-62.60
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533805	1	53	0.0	-72.61	390.25	8.85	-63.76
CC1(C)CC(NC(=O)NC2CC[N@@H+]3CCCC3C2)(C(=O)[O-])CC(C)(C)O1	REAL300012533806	0	59	0.0	-70.96	410.40	8.53	-62.43
CC1(C)CC(NC(=O)NC2CC[N@H+]3CCCC3C2)(C(=O)[O-])CC(C)(C)O1	REAL300012533806	1	59	0.0	-76.09	410.37	8.54	-67.55
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1CCCCC1	REAL300012533807	0	52	0.0	-71.89	373.50	8.12	-63.77
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1CCCCC1	REAL300012533807	1	52	0.0	-70.94	377.95	7.97	-62.97
O=C([O-])C(CC1CCCCO1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533808	0	53	0.0	-68.48	393.34	7.27	-61.21
O=C([O-])C(CC1CCCCO1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533808	1	53	0.0	-67.85	389.90	7.49	-60.36
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533809	0	53	0.0	-53.37	367.19	9.21	-44.16
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533809	1	53	0.0	-52.02	363.38	9.47	-42.55
CC1(C)CC(NC(=O)NC2CC[N@@H+]3CCCC3C2)(C(=O)[O-])CCO1	REAL300012533810	0	53	0.0	-71.85	371.07	6.54	-65.31
CC1(C)CC(NC(=O)NC2CC[N@H+]3CCCC3C2)(C(=O)[O-])CCO1	REAL300012533810	1	53	0.0	-74.40	371.11	6.54	-67.86
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533811	0	52	0.0	-72.71	417.90	9.74	-62.97
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533811	1	52	0.0	-70.52	417.50	9.84	-60.68
CC1=CC=CC2=C1CCN(C(=O)NC1CC[N@@H+]3CCCC3C1)C2C(=O)[O-]	REAL300012533812	0	53	0.0	-58.94	388.85	10.58	-48.36
CC1=CC=CC2=C1CCN(C(=O)NC1CC[N@H+]3CCCC3C1)C2C(=O)[O-]	REAL300012533812	1	53	0.0	-62.80	390.19	10.45	-52.35
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533813	0	47	0.0	-47.05	338.54	8.58	-38.47
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533813	1	47	0.0	-52.86	343.51	8.42	-44.44
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533814	0	53	0.0	-72.12	384.95	9.52	-62.60
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533814	1	53	0.0	-72.61	390.25	8.85	-63.76
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533815	0	49	0.0	-73.43	386.15	8.54	-64.89
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533815	1	49	0.0	-76.03	382.20	8.88	-67.15
COC1CC(NC(=O)NC2CC[N@@H+]3CCCC3C2)(C(=O)[O-])C1	REAL300012533816	0	47	0.0	-75.90	352.17	5.37	-70.53
COC1CC(NC(=O)NC2CC[N@H+]3CCCC3C2)(C(=O)[O-])C1	REAL300012533816	1	47	0.0	-79.65	352.22	5.39	-74.26
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CC(F)(F)C1	REAL300012533817	0	43	0.0	-65.08	334.76	6.52	-58.56
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CC(F)(F)C1	REAL300012533817	1	43	0.0	-75.13	327.45	6.44	-68.69
CO[C@H]1C[C@](NC(=O)NC2CC[N@@H+]3CCCC3C2)(C(=O)[O-])C1	REAL300012533818	0	47	0.0	-70.42	354.14	5.50	-64.92
CO[C@H]1C[C@](NC(=O)NC2CC[N@H+]3CCCC3C2)(C(=O)[O-])C1	REAL300012533818	1	47	0.0	-70.85	350.89	5.69	-65.16
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1(C(F)(F)F)CC1	REAL300012533819	0	46	0.0	-64.67	357.62	7.79	-56.88
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1(C(F)(F)F)CC1	REAL300012533819	1	46	0.0	-65.66	361.11	7.60	-58.06
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533820	0	49	0.0	-77.00	346.72	9.44	-67.56
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533820	1	49	0.0	-80.17	349.35	9.35	-70.82
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533821	0	42	0.0	-64.54	336.75	6.31	-58.23
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533821	1	42	0.0	-65.82	333.53	6.43	-59.39
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533822	0	50	0.0	-71.41	371.72	5.77	-65.64
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533822	1	50	0.0	-68.30	372.44	5.77	-62.53
O=C([O-])C(CC1=CC=CS1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533823	0	46	0.0	-69.03	370.78	7.53	-61.50
O=C([O-])C(CC1=CC=CS1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533823	1	46	0.0	-68.12	371.80	7.50	-60.62
COCC(NC(=O)NC1CC[N@@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012533824	0	53	0.0	-72.14	394.66	7.74	-64.40
COCC(NC(=O)NC1CC[N@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012533824	1	53	0.0	-70.94	398.11	7.52	-63.42
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533825	0	47	0.0	-78.25	343.28	8.02	-70.23
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533825	1	47	0.0	-80.83	339.83	8.24	-72.59
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533826	0	52	0.0	-53.15	383.26	11.34	-41.81
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533826	1	52	0.0	-52.82	387.74	11.18	-41.64
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533827	0	53	0.0	-72.08	418.67	8.13	-63.95
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533827	1	53	0.0	-74.21	418.56	8.14	-66.07
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533828	0	55	0.0	-73.14	398.04	8.90	-64.24
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533828	1	55	0.0	-70.77	400.67	8.71	-62.06
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533829	0	52	0.0	-72.56	398.28	9.52	-63.04
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533829	1	52	0.0	-71.76	402.52	9.31	-62.45
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533830	0	52	0.0	-71.56	402.71	9.25	-62.31
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533830	1	52	0.0	-72.83	398.73	9.61	-63.22
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1CC2CCC1C2	REAL300012533831	0	53	0.0	-72.81	377.24	8.30	-64.51
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1CC2CCC1C2	REAL300012533831	1	53	0.0	-75.20	380.51	8.57	-66.63
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533832	0	55	0.0	-68.10	397.82	8.98	-59.12
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533832	1	55	0.0	-72.88	397.73	9.05	-63.83
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533833	0	55	0.0	-68.97	401.15	8.80	-60.17
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533833	1	55	0.0	-68.40	397.70	9.04	-59.36
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533834	0	53	0.0	-52.51	382.77	9.29	-43.22
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533834	1	53	0.0	-52.65	382.75	9.32	-43.33
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533835	0	53	0.0	-78.60	379.32	9.32	-69.28
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533835	1	53	0.0	-76.34	379.56	9.34	-67.00
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=C(OCC(F)F)C=C1	REAL300012533836	0	53	0.0	-75.41	421.85	8.07	-67.34
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=C(OCC(F)F)C=C1	REAL300012533836	1	53	0.0	-75.24	421.46	8.19	-67.05
COC1=CC=C(CC(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300012533837	0	53	0.0	-73.06	408.88	7.85	-65.21
COC1=CC=C(CC(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300012533837	1	53	0.0	-71.08	408.81	7.87	-63.21
C=CCSCC(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533838	0	47	0.0	-67.75	378.79	7.41	-60.34
C=CCSCC(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533838	1	47	0.0	-67.96	378.93	7.35	-60.61
N#CC1=CC=C(CC(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300012533839	0	50	0.0	-68.69	399.42	8.96	-59.73
N#CC1=CC=C(CC(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300012533839	1	50	0.0	-70.51	400.13	8.97	-61.54
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533840	0	53	0.0	-85.22	419.36	8.46	-76.76
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533840	1	53	0.0	-75.99	410.80	8.72	-67.27
COC1(C(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])CCC1	REAL300012533841	0	50	0.0	-66.01	367.82	5.17	-60.84
COC1(C(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])CCC1	REAL300012533841	1	50	0.0	-76.27	365.94	5.66	-70.61
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CCC(C(F)F)CC1	REAL300012533842	0	52	0.0	-71.71	382.18	8.52	-63.19
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CCC(C(F)F)CC1	REAL300012533842	1	52	0.0	-63.75	373.17	8.07	-55.68
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CCC2=CC=CC=C2C1	REAL300012533843	0	53	0.0	-76.00	385.15	9.85	-66.15
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CCC2=CC=CC=C2C1	REAL300012533843	1	53	0.0	-74.02	388.59	9.65	-64.37
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CC(C(F)F)C1	REAL300012533844	0	46	0.0	-68.21	348.89	7.15	-61.06
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CC(C(F)F)C1	REAL300012533844	1	46	0.0	-67.85	352.43	6.91	-60.94
CC(C)(C)C1=CC=C(C(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300012533846	0	58	0.0	-71.36	433.69	9.86	-61.50
CC(C)(C)C1=CC=C(C(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300012533846	1	58	0.0	-72.29	429.99	10.13	-62.16
CC(C)C1=CC=C(C(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300012533847	0	55	0.0	-71.32	417.72	9.46	-61.86
CC(C)C1=CC=C(C(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300012533847	1	55	0.0	-71.38	417.56	9.48	-61.90
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533848	0	45	0.0	-46.02	331.37	8.40	-37.62
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533848	1	45	0.0	-55.87	335.67	8.28	-47.59
CC1(C)CCN(C(=O)NC2CC[N@@H+]3CCCC3C2)C1C(=O)[O-]	REAL300012533849	0	49	0.0	-76.60	352.59	8.29	-68.31
CC1(C)CCN(C(=O)NC2CC[N@H+]3CCCC3C2)C1C(=O)[O-]	REAL300012533849	1	49	0.0	-80.78	350.60	8.40	-72.38
CCOC1=CC=C(C(NC(=O)NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300012533850	0	53	0.0	-70.90	408.60	7.83	-63.07
CCOC1=CC=C(C(NC(=O)NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300012533850	1	53	0.0	-69.79	408.71	7.78	-62.01
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533851	0	53	0.0	-78.27	376.40	10.27	-68.00
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533851	1	53	0.0	-78.48	375.50	10.34	-68.14
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1CCC2=CC=CC=C21	REAL300012533852	0	53	0.0	-74.76	396.93	9.74	-65.02
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1CCC2=CC=CC=C21	REAL300012533852	1	53	0.0	-72.83	398.24	9.65	-63.18
CC(COC1=CC=CC=C1)(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533853	0	53	0.0	-78.19	396.17	8.86	-69.33
CC(COC1=CC=CC=C1)(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533853	1	53	0.0	-73.84	399.77	8.59	-65.25
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533854	0	49	0.0	-72.82	393.46	8.54	-64.28
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533854	1	49	0.0	-72.51	389.72	8.83	-63.68
CC(C)CCC(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533855	0	51	0.0	-70.57	381.38	7.66	-62.91
CC(C)CCC(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533855	1	51	0.0	-70.78	381.74	7.56	-63.22
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533856	0	50	0.0	-55.40	366.71	8.93	-46.47
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533856	1	50	0.0	-56.16	367.72	8.83	-47.33
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533857	0	50	0.0	-71.41	371.72	5.77	-65.64
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533857	1	50	0.0	-68.30	372.44	5.77	-62.53
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300012533858	0	47	0.0	-76.50	359.70	8.79	-67.71
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300012533858	1	47	0.0	-73.51	359.68	8.84	-64.67
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CCCC2CC21	REAL300012533859	0	50	0.0	-73.66	352.89	8.61	-65.05
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CCCC2CC21	REAL300012533859	1	50	0.0	-71.05	358.68	8.06	-62.99
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CCC2CC21	REAL300012533860	0	47	0.0	-76.08	343.38	7.52	-68.56
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CCC2CC21	REAL300012533860	1	47	0.0	-78.59	339.94	7.76	-70.83
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CC2(CCC2)C1	REAL300012533861	0	50	0.0	-71.91	361.44	8.04	-63.87
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CC2(CCC2)C1	REAL300012533861	1	50	0.0	-76.02	361.32	8.07	-67.95
CN(C(=O)NC1CC[N@@H+]2CCCC2C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012533862	0	52	0.0	-71.26	390.01	10.61	-60.65
CN(C(=O)NC1CC[N@H+]2CCCC2C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012533862	1	52	0.0	-73.97	386.54	10.73	-63.24
O=C([O-])C1CC2(CN1C(=O)NC1CC[N@@H+]3CCCC3C1)CCCCC2	REAL300012533863	0	56	0.0	-52.54	396.76	9.82	-42.72
O=C([O-])C1CC2(CN1C(=O)NC1CC[N@H+]3CCCC3C1)CCCCC2	REAL300012533863	1	56	0.0	-52.73	396.73	9.83	-42.90
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1CCCC1	REAL300012533864	0	49	0.0	-72.18	356.92	7.34	-64.84
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1CCCC1	REAL300012533864	1	49	0.0	-72.03	362.50	7.14	-64.89
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533865	0	49	0.0	-55.81	377.98	10.35	-45.46
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533865	1	49	0.0	-55.93	378.05	10.30	-45.63
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012533866	0	56	0.0	-71.72	431.44	11.02	-60.70
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012533866	1	56	0.0	-72.10	431.53	10.96	-61.14
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300012533867	0	49	0.0	-53.34	361.91	8.18	-45.16
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300012533867	1	49	0.0	-54.47	356.21	8.41	-46.06
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533868	0	50	0.0	-74.00	379.99	10.69	-63.31
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533868	1	50	0.0	-58.26	384.19	10.00	-48.26
CC(NC(=O)NC1CC[N@@H+]2CCCC2C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012533869	0	52	0.0	-66.12	404.00	9.32	-56.80
CC(NC(=O)NC1CC[N@H+]2CCCC2C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012533869	1	52	0.0	-66.27	403.89	9.33	-56.94
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533870	0	46	0.0	-78.06	338.43	8.75	-69.31
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533870	1	46	0.0	-79.11	338.94	9.02	-70.09
O=C([O-])C1N(C(=O)NC2CC[N@@H+]3CCCC3C2)CCC1(F)F	REAL300012533871	0	43	0.0	-80.81	333.97	7.13	-73.68
O=C([O-])C1N(C(=O)NC2CC[N@H+]3CCCC3C2)CCC1(F)F	REAL300012533871	1	43	0.0	-80.38	332.55	7.19	-73.19
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533872	0	49	0.0	-73.43	386.15	8.54	-64.89
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533872	1	49	0.0	-76.03	382.20	8.88	-67.15
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533873	0	46	0.0	-68.96	370.32	7.48	-61.48
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533873	1	46	0.0	-70.26	370.20	7.50	-62.76
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533874	0	46	0.0	-69.17	349.21	8.03	-61.14
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533874	1	46	0.0	-71.41	345.51	8.34	-63.07
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CC2(CC(F)(F)C2)C1	REAL300012533875	0	50	0.0	-73.60	380.86	8.45	-65.15
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CC2(CC(F)(F)C2)C1	REAL300012533875	1	50	0.0	-72.41	384.27	8.23	-64.18
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533876	0	54	0.0	-78.43	404.62	10.13	-68.30
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533876	1	54	0.0	-75.69	407.15	9.83	-65.86
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533877	0	46	0.0	-68.96	370.32	7.48	-61.48
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533877	1	46	0.0	-70.26	370.20	7.50	-62.76
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533878	0	50	0.0	-78.86	358.88	8.76	-70.10
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533878	1	50	0.0	-82.34	354.38	8.70	-73.64
COCCCC(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533879	0	49	0.0	-69.62	375.99	5.43	-64.19
COCCCC(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533879	1	49	0.0	-70.73	372.53	5.63	-65.10
CC(C)(C)CC(NC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300012533880	0	51	0.0	-71.38	371.89	7.93	-63.45
CC(C)(C)CC(NC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300012533880	1	51	0.0	-67.88	367.57	8.14	-59.74
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1CCCCO1	REAL300012533881	0	50	0.0	-73.31	372.77	6.07	-67.24
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1CCCCO1	REAL300012533881	1	50	0.0	-70.88	368.88	6.30	-64.58
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C1=CC=CC(Br)=C1	REAL300012533882	0	46	0.0	-66.40	375.03	8.46	-57.94
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C1=CC=CC(Br)=C1	REAL300012533882	1	46	0.0	-69.54	375.14	8.44	-61.10
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCC3C2)CC2=CC=CC=C2C1	REAL300012533883	0	50	0.0	-72.04	376.71	8.89	-63.15
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCC3C2)CC2=CC=CC=C2C1	REAL300012533883	1	50	0.0	-71.61	376.82	8.80	-62.81
C[C@H]1OCCN(C(=O)NC2CC[N@@H+]3CCCC3C2)[C@@H]1C(=O)[O-]	REAL300012533884	0	47	0.0	-79.71	339.01	7.19	-72.52
C[C@H]1OCCN(C(=O)NC2CC[N@H+]3CCCC3C2)[C@@H]1C(=O)[O-]	REAL300012533884	1	47	0.0	-77.29	342.55	7.04	-70.25
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533885	0	49	0.0	-70.42	362.26	8.44	-61.98
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533885	1	49	0.0	-70.41	362.06	8.31	-62.10
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCC2C1)C12CC3CC(CC(C3)C1)C2	REAL300012533886	0	60	0.0	-77.80	410.12	9.86	-67.94
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCC2C1)C12CC3CC(CC(C3)C1)C2	REAL300012533886	1	60	0.0	-73.29	413.69	9.64	-63.65
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533887	0	52	0.0	-74.90	409.64	8.72	-66.18
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533887	1	52	0.0	-73.34	409.51	8.74	-64.60
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533888	0	46	0.0	-53.36	350.57	8.46	-44.90
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533888	1	46	0.0	-59.37	359.77	8.51	-50.86
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533889	0	57	0.0	-77.59	383.43	9.10	-68.49
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533889	1	57	0.0	-78.13	393.68	9.27	-68.86
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300012533890	0	48	0.0	-71.06	391.07	7.27	-63.79
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[N@H+]2CCCC2C1	REAL300012533890	1	48	0.0	-65.57	391.16	7.19	-58.38
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300012533891	0	50	0.0	-79.04	371.60	7.57	-71.47
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300012533891	1	50	0.0	-76.45	375.00	7.38	-69.07
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCNC2=CC=CC=N2)CC1	REAL300012534050	0	57	0.0	-65.37	442.59	6.21	-59.16
C=CCOCC(NC(=O)NCC1CC[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012534468	0	47	0.0	-70.96	377.78	5.46	-65.50
C=CCOCC(NC(=O)NCC1CC[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012534468	1	47	0.0	-72.91	378.16	5.53	-67.38
O=C([O-])C(NC(=O)NCC1CC[N@@H+](C2CC2)C1)C1CCOCC1	REAL300012534469	0	50	0.0	-69.93	379.71	5.76	-64.17
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COC1=CC=C(CC(NC(=O)NCC2CC[N@@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012534654	0	53	0.0	-72.26	419.22	8.08	-64.18
COC1=CC=C(CC(NC(=O)NCC2CC[N@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012534654	1	53	0.0	-74.21	419.41	8.04	-66.17
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COC1(C(NC(=O)NCC2CC[N@@H+](C3CC3)C2)C(=O)[O-])CCC1	REAL300012534658	0	50	0.0	-68.01	378.38	5.32	-62.69
COC1(C(NC(=O)NCC2CC[N@H+](C3CC3)C2)C(=O)[O-])CCC1	REAL300012534658	1	50	0.0	-69.19	378.76	5.26	-63.93
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CC(C)(C)C1=CC=C(C(NC(=O)NCC2CC[N@@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012534663	0	58	0.0	-72.56	443.13	10.11	-62.45
CC(C)(C)C1=CC=C(C(NC(=O)NCC2CC[N@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012534663	1	58	0.0	-72.45	443.88	10.13	-62.32
CC(C)C1=CC=C(C(NC(=O)NCC2CC[N@@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012534664	0	55	0.0	-72.56	427.15	9.72	-62.84
CC(C)C1=CC=C(C(NC(=O)NCC2CC[N@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012534664	1	55	0.0	-72.46	427.90	9.74	-62.72
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534665	0	45	0.0	-55.81	347.05	8.41	-47.40
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534665	1	45	0.0	-54.03	346.88	8.47	-45.56
CC1(C)CCN(C(=O)NCC2CC[N@@H+](C3CC3)C2)C1C(=O)[O-]	REAL300012534666	0	49	0.0	-80.81	368.05	8.12	-72.69
CC1(C)CCN(C(=O)NCC2CC[N@H+](C3CC3)C2)C1C(=O)[O-]	REAL300012534666	1	49	0.0	-77.97	366.61	8.26	-69.71
CCOC1=CC=C(C(NC(=O)NCC2CC[N@@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012534667	0	53	0.0	-70.82	418.91	8.06	-62.76
CCOC1=CC=C(C(NC(=O)NCC2CC[N@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012534667	1	53	0.0	-71.82	418.44	8.07	-63.75
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534668	0	53	0.0	-80.81	385.93	10.34	-70.47
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534668	1	53	0.0	-82.77	387.09	10.46	-72.31
O=C([O-])C(NC(=O)NCC1CC[N@@H+](C2CC2)C1)C1CCC2=CC=CC=C21	REAL300012534669	0	53	0.0	-73.29	409.30	10.19	-63.10
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CC(COC1=CC=CC=C1)(NC(=O)NCC1CC[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012534670	0	53	0.0	-75.70	410.24	8.81	-66.89
CC(COC1=CC=CC=C1)(NC(=O)NCC1CC[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012534670	1	53	0.0	-75.76	410.13	8.85	-66.91
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534671	0	49	0.0	-69.52	398.93	8.99	-60.53
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534671	1	49	0.0	-69.12	397.67	8.96	-60.16
CC(C)CCC(NC(=O)NCC1CC[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012534672	0	51	0.0	-71.25	391.97	7.81	-63.44
CC(C)CCC(NC(=O)NCC1CC[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012534672	1	51	0.0	-70.88	391.27	7.82	-63.06
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534673	0	50	0.0	-55.88	377.34	9.06	-46.82
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534673	1	50	0.0	-56.23	378.35	9.04	-47.19
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O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534674	1	50	0.0	-71.40	386.41	5.79	-65.61
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@@H+](C3CC3)C2)C1	REAL300012534675	0	47	0.0	-75.99	374.06	8.78	-67.21
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@H+](C3CC3)C2)C1	REAL300012534675	1	47	0.0	-75.34	373.57	8.82	-66.52
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](C3CC3)C2)CCCC2CC21	REAL300012534676	0	50	0.0	-75.48	370.30	8.33	-67.15
O=C([O-])C1(NC(=O)NCC2CC[N@H+](C3CC3)C2)CCCC2CC21	REAL300012534676	1	50	0.0	-75.54	369.32	8.21	-67.33
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](C3CC3)C2)CCC2CC21	REAL300012534677	0	47	0.0	-76.14	356.18	7.49	-68.65
O=C([O-])C1(NC(=O)NCC2CC[N@H+](C3CC3)C2)CCC2CC21	REAL300012534677	1	47	0.0	-77.72	353.68	7.60	-70.12
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](C3CC3)C2)CC2(CCC2)C1	REAL300012534678	0	50	0.0	-74.67	375.44	8.01	-66.66
O=C([O-])C1(NC(=O)NCC2CC[N@H+](C3CC3)C2)CC2(CCC2)C1	REAL300012534678	1	50	0.0	-74.81	375.19	8.08	-66.73
CN(C(=O)NCC1CC[N@@H+](C2CC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012534679	0	52	0.0	-70.79	401.31	10.81	-59.98
CN(C(=O)NCC1CC[N@H+](C2CC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012534679	1	52	0.0	-71.62	398.28	10.55	-61.07
O=C([O-])C1CC2(CN1C(=O)NCC1CC[N@@H+](C3CC3)C1)CCCCC2	REAL300012534680	0	56	0.0	-55.88	407.72	10.06	-45.82
O=C([O-])C1CC2(CN1C(=O)NCC1CC[N@H+](C3CC3)C1)CCCCC2	REAL300012534680	1	56	0.0	-55.34	406.86	9.97	-45.37
O=C([O-])C(NC(=O)NCC1CC[N@@H+](C2CC2)C1)C1CCCC1	REAL300012534681	0	49	0.0	-73.44	373.15	7.36	-66.08
O=C([O-])C(NC(=O)NCC1CC[N@H+](C2CC2)C1)C1CCCC1	REAL300012534681	1	49	0.0	-70.57	367.70	7.32	-63.25
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534682	0	49	0.0	-57.28	382.51	10.22	-47.06
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534682	1	49	0.0	-56.81	388.42	10.54	-46.27
O=C([O-])C(NC(=O)NCC1CC[N@@H+](C2CC2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012534683	0	56	0.0	-71.55	441.75	11.24	-60.31
O=C([O-])C(NC(=O)NCC1CC[N@H+](C2CC2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012534683	1	56	0.0	-72.53	441.27	11.25	-61.28
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CC[N@@H+](C3CC3)C2)C1	REAL300012534684	0	49	0.0	-53.73	371.18	8.35	-45.38
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CC[N@H+](C3CC3)C2)C1	REAL300012534684	1	49	0.0	-53.45	370.36	8.40	-45.05
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534685	0	50	0.0	-75.89	389.99	10.76	-65.13
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534685	1	50	0.0	-57.13	394.19	10.33	-46.80
CC(NC(=O)NCC1CC[N@@H+](C2CC2)C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012534686	0	52	0.0	-69.27	414.35	9.54	-59.73
CC(NC(=O)NCC1CC[N@H+](C2CC2)C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012534686	1	52	0.0	-69.28	414.23	9.59	-59.69
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534687	0	46	0.0	-78.17	353.16	8.97	-69.20
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534687	1	46	0.0	-78.57	353.26	8.67	-69.90
O=C([O-])C1N(C(=O)NCC2CC[N@@H+](C3CC3)C2)CCC1(F)F	REAL300012534688	0	43	0.0	-81.45	342.74	7.74	-73.71
O=C([O-])C1N(C(=O)NCC2CC[N@H+](C3CC3)C2)CCC1(F)F	REAL300012534688	1	43	0.0	-78.71	339.90	7.74	-70.97
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534689	0	49	0.0	-69.05	396.19	8.83	-60.22
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534689	1	49	0.0	-68.13	396.33	8.81	-59.32
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534690	0	46	0.0	-70.61	380.88	7.61	-63.00
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534690	1	46	0.0	-70.98	380.01	7.70	-63.28
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534691	0	46	0.0	-71.06	358.66	8.21	-62.85
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534691	1	46	0.0	-76.67	359.63	8.31	-68.36
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](C3CC3)C2)CC2(CC(F)(F)C2)C1	REAL300012534692	0	50	0.0	-76.95	394.74	8.43	-68.52
O=C([O-])C1(NC(=O)NCC2CC[N@H+](C3CC3)C2)CC2(CC(F)(F)C2)C1	REAL300012534692	1	50	0.0	-75.17	394.10	8.41	-66.76
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534693	0	54	0.0	-74.94	419.40	9.77	-65.17
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534693	1	54	0.0	-77.30	417.23	9.97	-67.33
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534694	0	46	0.0	-70.61	380.88	7.61	-63.00
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534694	1	46	0.0	-70.98	380.01	7.70	-63.28
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534695	0	50	0.0	-80.47	368.08	8.73	-71.74
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534695	1	50	0.0	-81.29	369.00	8.89	-72.40
COCCCC(NC(=O)NCC1CC[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012534696	0	49	0.0	-69.03	386.57	5.58	-63.45
COCCCC(NC(=O)NCC1CC[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012534696	1	49	0.0	-70.07	385.88	5.59	-64.48
CC(C)(C)CC(NC(=O)NCC1CC[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012534697	0	51	0.0	-72.23	382.48	8.07	-64.16
CC(C)(C)CC(NC(=O)NCC1CC[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012534697	1	51	0.0	-71.52	381.51	8.14	-63.38
O=C([O-])C(NC(=O)NCC1CC[N@@H+](C2CC2)C1)C1CCCCO1	REAL300012534698	0	50	0.0	-73.37	381.03	5.89	-67.48
O=C([O-])C(NC(=O)NCC1CC[N@H+](C2CC2)C1)C1CCCCO1	REAL300012534698	1	50	0.0	-75.32	382.53	6.19	-69.13
O=C([O-])C(NC(=O)NCC1CC[N@@H+](C2CC2)C1)C1=CC=CC(Br)=C1	REAL300012534699	0	46	0.0	-69.64	389.77	8.44	-61.20
O=C([O-])C(NC(=O)NCC1CC[N@H+](C2CC2)C1)C1=CC=CC(Br)=C1	REAL300012534699	1	46	0.0	-70.04	388.49	8.41	-61.63
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](C3CC3)C2)CC2=CC=CC=C2C1	REAL300012534700	0	50	0.0	-75.07	387.81	9.08	-65.99
O=C([O-])C1(NC(=O)NCC2CC[N@H+](C3CC3)C2)CC2=CC=CC=C2C1	REAL300012534700	1	50	0.0	-73.47	387.17	9.06	-64.41
C[C@H]1OCCN(C(=O)NCC2CC[N@@H+](C3CC3)C2)[C@@H]1C(=O)[O-]	REAL300012534701	0	47	0.0	-79.91	353.75	7.22	-72.69
C[C@H]1OCCN(C(=O)NCC2CC[N@H+](C3CC3)C2)[C@@H]1C(=O)[O-]	REAL300012534701	1	47	0.0	-80.60	353.02	7.08	-73.52
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534702	0	49	0.0	-72.61	373.13	8.62	-63.99
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534702	1	49	0.0	-71.64	373.02	8.51	-63.13
O=C([O-])C(NC(=O)NCC1CC[N@@H+](C2CC2)C1)C12CC3CC(CC(C3)C1)C2	REAL300012534703	0	60	0.0	-77.25	423.37	9.75	-67.50
O=C([O-])C(NC(=O)NCC1CC[N@H+](C2CC2)C1)C12CC3CC(CC(C3)C1)C2	REAL300012534703	1	60	0.0	-75.60	422.22	9.74	-65.86
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534704	0	52	0.0	-75.79	419.74	9.01	-66.78
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534704	1	52	0.0	-74.75	419.88	8.99	-65.76
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534705	0	46	0.0	-57.84	370.88	8.70	-49.14
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534705	1	46	0.0	-59.72	365.55	8.72	-51.00
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534706	0	57	0.0	-79.39	403.38	9.45	-69.94
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534706	1	57	0.0	-80.94	404.14	9.41	-71.53
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300012534707	0	48	0.0	-72.61	401.95	7.34	-65.27
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCC1CC[N@H+](C2CC2)C1	REAL300012534707	1	48	0.0	-72.17	401.55	7.46	-64.71
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@@H+](C3CC3)C2)C1	REAL300012534708	0	50	0.0	-76.66	385.46	7.57	-69.09
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@H+](C3CC3)C2)C1	REAL300012534708	1	50	0.0	-75.82	385.37	7.40	-68.42
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCS(=O)(=O)C2)CC1	REAL300012534867	0	53	0.0	-69.04	415.39	3.12	-65.92
CCN1C=NN=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012535102	0	52	0.0	-72.98	408.19	7.35	-65.63
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CN3CCCCC3=N2)CC1	REAL300012535685	0	60	0.0	-67.51	451.26	8.14	-59.37
CN1C=C(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012535885	0	47	0.0	-61.43	362.11	4.79	-56.64
CN(CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])CC(F)(F)F	REAL300012536118	0	57	0.0	-59.43	438.79	5.13	-54.30
COCC[N@H+](C)CCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012536246	0	50	0.0	-73.75	384.53	5.09	-68.66
COCC[N@@H+](C)CCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012536246	1	50	0.0	-73.76	385.36	5.13	-68.63
C=CCOCC(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536247	0	49	0.0	-75.02	392.78	3.56	-71.46
C=CCOCC(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536247	1	49	0.0	-74.39	392.80	3.57	-70.82
C=CC(C)C(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536248	0	48	0.0	-74.41	372.22	4.65	-69.76
C=CC(C)C(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536248	1	48	0.0	-74.70	371.47	4.71	-69.99
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012536249	0	52	0.0	-75.92	390.58	3.64	-72.28
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012536249	1	52	0.0	-77.95	391.16	3.57	-74.38
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012536250	0	48	0.0	-68.63	395.26	6.06	-62.57
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012536250	1	48	0.0	-70.02	395.55	5.97	-64.05
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012536251	0	48	0.0	-68.97	405.39	6.43	-62.54
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012536251	1	48	0.0	-69.48	405.20	6.52	-62.96
COCC[N@H+](C)CCCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012536252	0	52	0.0	-83.48	386.75	5.79	-77.69
COCC[N@@H+](C)CCCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012536252	1	52	0.0	-83.62	386.85	5.81	-77.81
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012536253	0	52	0.0	-72.76	394.62	3.89	-68.87
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012536253	1	52	0.0	-72.55	390.54	3.68	-68.87
COCC[N@H+](C)CCCNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012536254	0	51	0.0	-82.34	370.54	7.05	-75.29
COCC[N@@H+](C)CCCNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012536254	1	51	0.0	-82.97	370.57	7.06	-75.91
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012536255	0	51	0.0	-72.18	409.50	6.56	-65.62
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012536255	1	51	0.0	-71.40	409.31	6.64	-64.76
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012536256	0	53	0.0	-74.49	418.44	5.79	-68.70
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012536256	1	53	0.0	-75.17	418.74	5.69	-69.48
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012536257	0	54	0.0	-75.12	425.38	7.27	-67.85
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012536257	1	54	0.0	-76.04	425.43	7.26	-68.78
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012536258	0	54	0.0	-75.21	420.98	7.15	-68.06
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012536258	1	54	0.0	-75.50	421.01	7.14	-68.36
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012536259	0	52	0.0	-74.71	428.06	5.79	-68.92
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012536259	1	52	0.0	-74.66	428.35	5.71	-68.95
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012536260	0	54	0.0	-74.92	412.20	6.93	-67.99
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012536260	1	54	0.0	-74.49	412.25	6.94	-67.55
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012536261	0	52	0.0	-75.44	418.26	5.31	-70.13
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012536261	1	52	0.0	-75.09	418.30	5.31	-69.78
COCC[N@H+](C)CCCNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012536262	0	51	0.0	-54.58	374.52	7.46	-47.12
COCC[N@@H+](C)CCCNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012536262	1	51	0.0	-61.93	378.86	6.70	-55.23
CCCN(C(=O)NCCC[N@H+](C)CCOC)C(COC)C(=O)[O-]	REAL300012536263	0	54	0.0	-77.56	407.99	7.33	-70.23
CCCN(C(=O)NCCC[N@@H+](C)CCOC)C(COC)C(=O)[O-]	REAL300012536263	1	54	0.0	-76.90	409.13	7.28	-69.62
CCCN(C(=O)NCCC[N@H+](C)CCOC)C(CC)C(=O)[O-]	REAL300012536264	0	53	0.0	-76.01	394.18	7.96	-68.05
CCCN(C(=O)NCCC[N@@H+](C)CCOC)C(CC)C(=O)[O-]	REAL300012536264	1	53	0.0	-55.80	389.75	8.01	-47.79
COCC[N@H+](C)CCCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012536265	0	48	0.0	-83.54	356.68	6.98	-76.56
COCC[N@@H+](C)CCCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012536265	1	48	0.0	-83.58	356.75	6.97	-76.61
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012536266	0	48	0.0	-71.90	399.52	6.36	-65.54
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012536266	1	48	0.0	-71.41	399.58	6.38	-65.03
COCC[N@H+](C)CCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012536267	0	46	0.0	-80.47	356.58	6.82	-73.65
COCC[N@@H+](C)CCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012536267	1	46	0.0	-80.99	356.58	6.82	-74.17
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012536268	0	51	0.0	-76.63	376.17	5.99	-70.64
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012536268	1	51	0.0	-77.73	376.19	5.99	-71.74
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012536269	0	48	0.0	-77.98	361.07	4.85	-73.13
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012536269	1	48	0.0	-77.29	361.10	4.87	-72.42
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012536270	0	54	0.0	-77.23	381.83	6.66	-70.57
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012536270	1	54	0.0	-78.51	381.85	6.67	-71.84
COCC[N@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012536271	0	51	0.0	-74.93	405.08	6.79	-68.14
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012536271	1	51	0.0	-75.55	404.86	6.86	-68.69
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012536272	0	51	0.0	-60.89	403.58	8.59	-52.30
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012536272	1	51	0.0	-59.74	403.59	8.61	-51.13
COCC[N@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012536273	0	48	0.0	-74.36	382.59	5.93	-68.43
COCC[N@@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012536273	1	48	0.0	-75.33	382.61	5.94	-69.39
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012536274	0	48	0.0	-74.82	382.81	5.86	-68.96
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012536274	1	48	0.0	-75.08	382.83	5.86	-69.22
COCC[N@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012536275	0	51	0.0	-74.93	405.08	6.79	-68.14
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012536275	1	51	0.0	-75.55	404.86	6.86	-68.69
CCC(C)C(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536276	0	50	0.0	-73.95	379.79	5.02	-68.93
CCC(C)C(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536276	1	50	0.0	-74.33	381.64	4.98	-69.35
COCC[N@H+](C)CCCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012536277	0	48	0.0	-83.54	356.68	6.98	-76.56
COCC[N@@H+](C)CCCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012536277	1	48	0.0	-83.58	356.75	6.97	-76.61
CCCC(C)(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536278	0	50	0.0	-73.16	372.31	4.92	-68.24
CCCC(C)(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536278	1	50	0.0	-73.80	372.29	4.90	-68.90
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012536279	0	50	0.0	-60.69	380.74	6.86	-53.83
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012536279	1	50	0.0	-58.94	380.51	6.65	-52.29
COCC[N@H+](C)CCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012536280	0	52	0.0	-83.88	394.96	8.99	-74.89
COCC[N@@H+](C)CCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012536280	1	52	0.0	-83.25	394.37	8.85	-74.40
COCC[N@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012536281	0	48	0.0	-74.60	360.22	4.91	-69.69
COCC[N@@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012536281	1	48	0.0	-75.50	360.30	4.92	-70.58
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012536282	0	45	0.0	-72.83	374.42	4.95	-67.88
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012536282	1	45	0.0	-73.44	374.22	5.02	-68.42
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012536283	0	51	0.0	-76.63	376.17	5.99	-70.64
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012536283	1	51	0.0	-77.73	376.19	5.99	-71.74
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012536284	0	51	0.0	-57.27	420.23	9.12	-48.15
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012536284	1	51	0.0	-58.71	420.24	9.13	-49.58
COCC[N@H+](C)CCCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012536285	0	55	0.0	-76.93	434.12	6.87	-70.06
COCC[N@@H+](C)CCCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012536285	1	55	0.0	-76.25	434.14	6.88	-69.37
CC[C@H](C)[C@H](NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536286	0	50	0.0	-74.37	377.91	4.75	-69.62
CC[C@H](C)[C@H](NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536286	1	50	0.0	-75.03	377.90	4.74	-70.29
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012536287	0	48	0.0	-77.98	361.07	4.85	-73.13
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012536287	1	48	0.0	-77.29	361.10	4.87	-72.42
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012536288	0	59	0.0	-64.21	456.49	6.92	-57.29
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012536288	1	59	0.0	-63.08	456.54	6.92	-56.16
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012536289	0	51	0.0	-57.41	409.90	8.67	-48.74
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012536289	1	51	0.0	-58.88	409.92	8.68	-50.20
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012536290	0	52	0.0	-75.97	400.77	7.03	-68.94
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012536290	1	52	0.0	-76.86	400.79	7.04	-69.82
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012536291	0	48	0.0	-74.72	393.65	6.01	-68.71
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012536291	1	48	0.0	-75.68	393.68	6.02	-69.66
COCC[N@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012536292	0	51	0.0	-75.86	390.52	6.65	-69.21
COCC[N@@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012536292	1	51	0.0	-75.25	390.62	6.63	-68.62
CCCCCCC(C)(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536293	0	59	0.0	-73.29	436.81	7.26	-66.03
CCCCCCC(C)(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536293	1	59	0.0	-74.03	436.79	7.23	-66.80
COCC[N@H+](C)CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012536294	0	54	0.0	-72.40	414.15	8.82	-63.58
COCC[N@@H+](C)CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012536294	1	54	0.0	-73.51	414.17	8.82	-64.69
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012536295	0	48	0.0	-71.90	399.52	6.36	-65.54
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012536295	1	48	0.0	-71.41	399.58	6.38	-65.03
COCC[N@H+](C)CCCNC(=O)N1CCOCC1C(=O)[O-]	REAL300012536296	0	46	0.0	-79.59	347.53	4.23	-75.36
COCC[N@@H+](C)CCCNC(=O)N1CCOCC1C(=O)[O-]	REAL300012536296	1	46	0.0	-80.08	347.92	4.30	-75.78
COCC[N@H+](C)CCCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012536297	0	54	0.0	-79.58	385.31	7.36	-72.22
COCC[N@@H+](C)CCCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012536297	1	54	0.0	-78.40	385.44	7.32	-71.08
COCC[N@H+](C)CCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012536298	0	54	0.0	-61.86	425.99	9.37	-52.49
COCC[N@@H+](C)CCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012536298	1	54	0.0	-60.67	426.00	9.37	-51.30
COCC[N@H+](C)CCCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012536299	0	51	0.0	-73.85	393.77	7.74	-66.11
COCC[N@@H+](C)CCCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012536299	1	51	0.0	-72.36	390.11	7.43	-64.93
COCCN(CC(=O)[O-])C(=O)NCCC[N@H+](C)CCOC	REAL300012536300	0	48	0.0	-60.28	375.98	4.77	-55.51
COCCN(CC(=O)[O-])C(=O)NCCC[N@@H+](C)CCOC	REAL300012536300	1	48	0.0	-61.43	375.96	4.77	-56.66
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012536301	0	52	0.0	-80.06	397.83	6.95	-73.11
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012536301	1	52	0.0	-79.45	397.85	6.99	-72.46
COCC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012536302	0	48	0.0	-81.79	356.15	6.73	-75.06
COCC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012536302	1	48	0.0	-82.14	356.29	6.72	-75.42
COCC[N@H+](C)CCCNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012536303	0	48	0.0	-79.88	362.46	6.25	-73.63
COCC[N@@H+](C)CCCNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012536303	1	48	0.0	-80.12	362.56	6.24	-73.88
COCC[N@H+](C)CCCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012536304	0	55	0.0	-81.06	438.73	6.80	-74.26
COCC[N@@H+](C)CCCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012536304	1	55	0.0	-82.60	439.00	6.75	-75.85
COCC[N@H+](C)CCCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012536305	0	51	0.0	-81.18	369.58	7.25	-73.93
COCC[N@@H+](C)CCCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012536305	1	51	0.0	-80.66	369.64	7.24	-73.42
CCCCC(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536306	0	50	0.0	-72.65	388.84	5.35	-67.30
CCCCC(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536306	1	50	0.0	-74.00	389.65	5.33	-68.67
COCC[N@H+](C)CCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012536307	0	54	0.0	-61.86	425.99	9.37	-52.49
COCC[N@@H+](C)CCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012536307	1	54	0.0	-60.67	426.00	9.37	-51.30
COCC[N@H+](C)CCCNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012536308	0	48	0.0	-79.86	362.53	6.23	-73.63
COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012536308	1	48	0.0	-79.23	362.58	6.24	-72.99
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012536309	0	51	0.0	-58.43	380.94	7.16	-51.27
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012536309	1	51	0.0	-60.06	380.95	7.17	-52.89
CCCCCC(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536310	0	53	0.0	-72.60	410.34	6.13	-66.47
CCCCCC(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536310	1	53	0.0	-73.94	411.15	6.11	-67.83
CCC1CCC(NC(=O)NCCC[N@H+](C)CCOC)(C(=O)[O-])CC1	REAL300012536311	0	57	0.0	-77.63	415.25	7.25	-70.38
CCC1CCC(NC(=O)NCCC[N@@H+](C)CCOC)(C(=O)[O-])CC1	REAL300012536311	1	57	0.0	-76.48	415.20	7.23	-69.25
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012536312	0	52	0.0	-60.44	389.36	5.49	-54.95
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012536312	1	52	0.0	-60.58	389.46	5.50	-55.08
COCC[N@H+](C)CCCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012536313	0	51	0.0	-80.44	372.11	6.59	-73.85
COCC[N@@H+](C)CCCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012536313	1	51	0.0	-79.59	372.12	6.59	-73.00
COCC[N@H+](C)CCCNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012536314	0	48	0.0	-63.45	362.83	6.22	-57.23
COCC[N@@H+](C)CCCNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012536314	1	48	0.0	-62.22	363.05	6.18	-56.04
CCC(C(=O)[O-])N(C(=O)NCCC[N@H+](C)CCOC)C1CC1	REAL300012536315	0	51	0.0	-61.60	384.52	7.46	-54.14
CCC(C(=O)[O-])N(C(=O)NCCC[N@@H+](C)CCOC)C1CC1	REAL300012536315	1	51	0.0	-73.49	378.85	7.20	-66.29
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012536316	0	48	0.0	-76.04	395.56	6.31	-69.73
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012536316	1	48	0.0	-76.48	394.38	6.35	-70.13
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012536317	0	48	0.0	-79.14	387.01	6.01	-73.13
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012536317	1	48	0.0	-80.27	387.04	6.00	-74.27
COCC[N@H+](C)CCCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012536318	0	52	0.0	-62.16	397.73	8.28	-53.88
COCC[N@@H+](C)CCCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012536318	1	52	0.0	-63.45	397.75	8.28	-55.17
COCC[N@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012536319	0	51	0.0	-70.68	415.64	6.86	-63.82
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012536319	1	51	0.0	-77.71	419.47	7.12	-70.59
COCC[N@H+](C)CCCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012536320	0	57	0.0	-78.73	448.72	8.87	-69.86
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012536320	1	57	0.0	-77.95	448.47	8.86	-69.09
COCC[N@H+](C)CCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012536321	0	57	0.0	-73.38	426.74	7.04	-66.34
COCC[N@@H+](C)CCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012536321	1	57	0.0	-74.04	427.05	7.00	-67.04
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012536322	0	54	0.0	-60.51	415.69	9.42	-51.09
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012536322	1	54	0.0	-60.96	415.45	9.49	-51.47
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012536323	0	51	0.0	-75.20	403.98	6.61	-68.59
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012536323	1	51	0.0	-74.65	404.00	6.62	-68.03
COCC[N@H+](C)CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012536324	0	44	0.0	-68.39	362.59	4.48	-63.91
COCC[N@@H+](C)CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012536324	1	44	0.0	-68.04	362.60	4.48	-63.56
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012536325	0	54	0.0	-76.68	428.49	8.20	-68.48
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012536325	1	54	0.0	-77.21	428.81	8.13	-69.08
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012536326	0	49	0.0	-72.86	373.86	5.68	-67.18
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012536326	1	49	0.0	-73.84	373.88	5.69	-68.15
COCC[N@H+](C)CCCNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012536327	0	48	0.0	-77.94	369.04	3.43	-74.51
COCC[N@@H+](C)CCCNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012536327	1	48	0.0	-77.32	369.05	3.45	-73.87
CCOCC(C(=O)[O-])N(C)C(=O)NCCC[N@H+](C)CCOC	REAL300012536328	0	51	0.0	-71.40	388.26	5.17	-66.23
CCOCC(C(=O)[O-])N(C)C(=O)NCCC[N@@H+](C)CCOC	REAL300012536328	1	51	0.0	-71.83	388.48	5.28	-66.55
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012536329	0	50	0.0	-60.69	380.74	6.86	-53.83
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012536329	1	50	0.0	-58.94	380.51	6.65	-52.29
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC[N@H+](C)CCOC	REAL300012536330	0	57	0.0	-57.97	423.67	9.05	-48.92
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC[N@@H+](C)CCOC	REAL300012536330	1	57	0.0	-56.57	425.87	9.21	-47.36
COCC[N@H+](C)CCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012536331	0	47	0.0	-60.65	384.21	6.72	-53.93
COCC[N@@H+](C)CCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012536331	1	47	0.0	-59.39	384.23	6.73	-52.66
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012536332	0	46	0.0	-73.27	352.30	2.27	-71.00
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012536332	1	46	0.0	-72.79	352.32	2.29	-70.50
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012536333	0	54	0.0	-74.49	399.72	6.06	-68.43
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012536333	1	54	0.0	-76.47	400.40	5.99	-70.48
COCC[N@H+](C)CCCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012536334	0	55	0.0	-72.79	415.64	6.67	-66.12
COCC[N@@H+](C)CCCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012536334	1	55	0.0	-72.84	415.98	6.56	-66.28
COCC[N@H+](C)CCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012536335	0	55	0.0	-82.29	421.96	9.78	-72.51
COCC[N@@H+](C)CCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012536335	1	55	0.0	-81.89	421.92	9.79	-72.10
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012536336	0	49	0.0	-75.89	367.60	3.49	-72.40
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012536336	1	49	0.0	-76.11	367.61	3.50	-72.61
C=CCCC(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536337	0	48	0.0	-73.65	380.96	5.11	-68.54
C=CCCC(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536337	1	48	0.0	-73.02	380.98	5.12	-67.90
COCC[N@H+](C)CCCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012536338	0	54	0.0	-52.58	412.21	9.69	-42.89
COCC[N@@H+](C)CCCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012536338	1	54	0.0	-54.46	412.92	9.59	-44.87
CCC(CC)(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536339	0	50	0.0	-74.00	367.48	5.04	-68.96
CCC(CC)(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536339	1	50	0.0	-74.80	367.46	5.03	-69.77
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012536340	0	52	0.0	-74.66	411.68	5.17	-69.49
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012536340	1	52	0.0	-74.20	411.69	5.19	-69.01
CCC(C)N(CC(=O)[O-])C(=O)NCCC[N@H+](C)CCOC	REAL300012536341	0	50	0.0	-57.44	377.92	7.05	-50.39
CCC(C)N(CC(=O)[O-])C(=O)NCCC[N@@H+](C)CCOC	REAL300012536341	1	50	0.0	-58.73	377.58	7.13	-51.60
CCC(COC)(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536342	0	51	0.0	-78.62	385.73	4.34	-74.28
CCC(COC)(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536342	1	51	0.0	-79.35	385.71	4.33	-75.02
COCC[N@H+](C)CCCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012536343	0	54	0.0	-72.03	408.55	5.93	-66.10
COCC[N@@H+](C)CCCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012536343	1	54	0.0	-71.76	409.08	5.92	-65.84
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012536344	0	51	0.0	-77.91	392.70	1.99	-75.92
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012536344	1	51	0.0	-78.86	392.73	1.98	-76.88
COCC[N@H+](C)CCCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012536345	0	48	0.0	-73.91	378.23	5.35	-68.56
COCC[N@@H+](C)CCCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012536345	1	48	0.0	-72.83	378.04	5.40	-67.43
COCCC(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536346	0	48	0.0	-72.93	379.51	2.86	-70.07
COCCC(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536346	1	48	0.0	-74.19	380.33	2.85	-71.34
COCC[N@H+](C)CCCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012536347	0	53	0.0	-72.31	395.84	7.13	-65.18
COCC[N@@H+](C)CCCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012536347	1	53	0.0	-71.23	395.85	7.36	-63.87
COCC[N@H+](C)CCCNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012536348	0	44	0.0	-73.42	359.00	4.07	-69.35
COCC[N@@H+](C)CCCNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012536348	1	44	0.0	-72.93	359.02	4.08	-68.85
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC[N@H+](C)CCOC	REAL300012536349	0	54	0.0	-81.83	397.20	8.21	-73.62
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC[N@@H+](C)CCOC	REAL300012536349	1	54	0.0	-81.48	396.73	8.01	-73.47
CCCN(C(=O)NCCC[N@H+](C)CCOC)C(C)C(=O)[O-]	REAL300012536350	0	50	0.0	-70.95	375.76	6.32	-64.63
CCCN(C(=O)NCCC[N@@H+](C)CCOC)C(C)C(=O)[O-]	REAL300012536350	1	50	0.0	-69.93	375.67	6.32	-63.61
COCC[N@H+](C)CCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012536351	0	54	0.0	-52.83	415.16	9.63	-43.20
COCC[N@@H+](C)CCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012536351	1	54	0.0	-54.85	414.30	9.72	-45.13
CCC(NC(=O)NCCC[N@H+](C)CCOC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012536352	0	54	0.0	-73.52	424.34	8.06	-65.46
CCC(NC(=O)NCCC[N@@H+](C)CCOC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012536352	1	54	0.0	-73.39	424.25	8.02	-65.37
CCC(NC(=O)NCCC[N@H+](C)CCOC)(C(=O)[O-])C1=CC=CC=C1	REAL300012536353	0	54	0.0	-76.05	407.50	7.50	-68.55
CCC(NC(=O)NCCC[N@@H+](C)CCOC)(C(=O)[O-])C1=CC=CC=C1	REAL300012536353	1	54	0.0	-76.63	407.48	7.50	-69.13
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012536354	0	58	0.0	-78.18	432.14	5.07	-73.11
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012536354	1	58	0.0	-79.41	432.18	5.08	-74.33
COCC[N@H+](C)CCCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012536355	0	55	0.0	-75.38	416.21	5.22	-70.16
COCC[N@@H+](C)CCCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012536355	1	55	0.0	-75.49	417.07	5.16	-70.33
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012536356	0	52	0.0	-60.44	389.36	5.49	-54.95
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012536356	1	52	0.0	-60.58	389.46	5.50	-55.08
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012536357	0	54	0.0	-58.87	398.34	7.87	-51.00
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012536357	1	54	0.0	-60.48	398.32	7.88	-52.60
COCC[N@H+](C)CCCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012536358	0	54	0.0	-77.87	389.94	6.39	-71.48
COCC[N@@H+](C)CCCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012536358	1	54	0.0	-77.03	389.98	6.37	-70.66
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012536359	0	52	0.0	-77.46	412.07	5.22	-72.24
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012536359	1	52	0.0	-78.02	412.32	5.16	-72.86
COCC[N@H+](C)CCCNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012536360	0	47	0.0	-70.56	357.38	4.28	-66.28
COCC[N@@H+](C)CCCNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012536360	1	47	0.0	-69.95	357.40	4.31	-65.64
COCC[N@H+](C)CCCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012536361	0	49	0.0	-64.32	380.05	6.49	-57.83
COCC[N@@H+](C)CCCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012536361	1	49	0.0	-65.60	380.19	6.47	-59.13
COCC[N@H+](C)CCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012536362	0	45	0.0	-73.94	360.50	5.45	-68.49
COCC[N@@H+](C)CCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012536362	1	45	0.0	-74.09	359.18	5.56	-68.53
COCC[N@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012536363	0	52	0.0	-77.89	412.29	5.14	-72.75
COCC[N@@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012536363	1	52	0.0	-76.89	411.72	5.19	-71.70
COCC[N@H+](C)CCCNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012536364	0	54	0.0	-81.77	411.68	7.61	-74.16
COCC[N@@H+](C)CCCNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012536364	1	54	0.0	-81.82	411.46	7.56	-74.26
COCC[N@H+](C)CCCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012536365	0	55	0.0	-77.59	434.29	6.15	-71.44
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012536365	1	55	0.0	-78.83	434.30	6.17	-72.66
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012536366	0	57	0.0	-77.83	403.89	6.86	-70.97
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012536366	1	57	0.0	-78.98	404.12	6.87	-72.11
COCC[N@H+](C)CCCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012536367	0	54	0.0	-72.13	424.93	7.51	-64.62
COCC[N@@H+](C)CCCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012536367	1	54	0.0	-72.37	424.96	7.51	-64.86
COCC[N@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012536368	0	53	0.0	-71.35	418.78	7.30	-64.05
COCC[N@@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012536368	1	53	0.0	-70.79	418.85	7.31	-63.48
COCC[N@H+](C)CCCNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012536369	0	52	0.0	-76.07	395.29	5.29	-70.78
COCC[N@@H+](C)CCCNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012536369	1	52	0.0	-77.16	395.33	5.29	-71.87
COCC[N@H+](C)CCCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012536370	0	55	0.0	-72.79	413.58	5.36	-67.43
COCC[N@@H+](C)CCCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012536370	1	55	0.0	-72.80	413.84	5.30	-67.50
COCC[N@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012536371	0	50	0.0	-73.92	375.84	4.90	-69.02
COCC[N@@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012536371	1	50	0.0	-73.20	375.85	4.90	-68.30
C=C(Cl)CC(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536372	0	45	0.0	-73.95	375.09	4.85	-69.10
C=C(Cl)CC(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536372	1	45	0.0	-73.33	375.11	4.87	-68.46
C=C(C)CC(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536373	0	48	0.0	-74.20	380.24	4.97	-69.23
C=C(C)CC(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536373	1	48	0.0	-73.51	380.26	4.97	-68.54
COCC[N@H+](C)CCCNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012536374	0	49	0.0	-87.50	367.46	7.15	-80.35
COCC[N@@H+](C)CCCNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012536374	1	49	0.0	-87.47	367.51	7.14	-80.33
COCC[N@H+](C)CCCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012536375	0	54	0.0	-72.75	414.61	7.05	-65.70
COCC[N@@H+](C)CCCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012536375	1	54	0.0	-72.94	414.64	7.06	-65.88
COCC[N@H+](C)CCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012536376	0	45	0.0	-73.90	359.17	5.55	-68.35
COCC[N@@H+](C)CCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012536376	1	45	0.0	-73.51	359.22	5.56	-67.95
COCC[N@H+](C)CCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012536377	0	45	0.0	-77.74	351.91	5.78	-71.96
COCC[N@@H+](C)CCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012536377	1	45	0.0	-77.02	351.92	5.79	-71.23
COCC[N@H+](C)CCCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012536378	0	55	0.0	-75.13	417.87	4.66	-70.47
COCC[N@@H+](C)CCCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012536378	1	55	0.0	-74.53	413.92	5.26	-69.27
COCC[N@H+](C)CCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012536379	0	50	0.0	-73.75	384.53	5.09	-68.66
COCC[N@@H+](C)CCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012536379	1	50	0.0	-73.76	385.36	5.13	-68.63
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012536380	0	52	0.0	-75.92	390.58	3.64	-72.28
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012536380	1	52	0.0	-77.95	391.16	3.57	-74.38
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012536381	0	48	0.0	-74.82	382.81	5.86	-68.96
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012536381	1	48	0.0	-75.08	382.83	5.86	-69.22
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012536382	0	51	0.0	-73.38	421.29	6.92	-66.46
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012536382	1	51	0.0	-74.54	421.55	6.85	-67.69
COCC[N@H+](C)CCCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012536383	0	48	0.0	-73.91	378.23	5.35	-68.56
COCC[N@@H+](C)CCCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012536383	1	48	0.0	-72.83	378.04	5.40	-67.43
COCC[N@H+](C)CCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012536384	0	47	0.0	-73.33	391.58	3.98	-69.35
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012536384	1	47	0.0	-72.30	391.64	3.97	-68.33
COCC[N@H+](C)CCCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012536385	0	56	0.0	-73.32	427.89	6.64	-66.68
COCC[N@@H+](C)CCCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012536385	1	56	0.0	-72.62	427.90	6.64	-65.98
COCC[N@H+](C)CCCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012536386	0	54	0.0	-73.19	434.95	7.19	-66.00
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012536386	1	54	0.0	-74.04	434.97	7.21	-66.83
COCC[N@H+](C)CCCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012536387	0	52	0.0	-77.07	402.57	4.23	-72.84
COCC[N@@H+](C)CCCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012536387	1	52	0.0	-78.17	402.62	4.25	-73.92
COCC[N@H+](C)CCCNC(=O)NC(CSC)C(=O)[O-]	REAL300012536388	0	45	0.0	-71.52	370.13	4.20	-67.32
COCC[N@@H+](C)CCCNC(=O)NC(CSC)C(=O)[O-]	REAL300012536388	1	45	0.0	-70.25	369.46	4.24	-66.01
COCC[N@H+](C)CCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012536389	0	51	0.0	-72.30	411.19	6.92	-65.38
COCC[N@@H+](C)CCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012536389	1	51	0.0	-73.31	411.22	6.93	-66.38
CCC(C)CC(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536390	0	53	0.0	-73.66	403.60	5.75	-67.91
CCC(C)CC(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536390	1	53	0.0	-74.40	403.59	5.74	-68.66
C=CCCCC(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536391	0	51	0.0	-72.85	401.63	5.90	-66.95
C=CCCCC(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536391	1	51	0.0	-72.91	402.48	5.90	-67.01
COCC[N@H+](C)CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012536392	0	51	0.0	-73.55	411.43	6.86	-66.69
COCC[N@@H+](C)CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012536392	1	51	0.0	-72.37	410.61	6.87	-65.50
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012536393	0	54	0.0	-78.68	423.74	8.01	-70.67
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012536393	1	54	0.0	-79.04	423.55	8.02	-71.02
COCC[N@H+](C)CCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012536394	0	46	0.0	-80.47	356.58	6.82	-73.65
COCC[N@@H+](C)CCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012536394	1	46	0.0	-80.99	356.58	6.82	-74.17
COCC[N@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012536395	0	51	0.0	-75.86	390.52	6.65	-69.21
COCC[N@@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012536395	1	51	0.0	-75.25	390.62	6.63	-68.62
COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012536396	0	49	0.0	-85.63	367.42	7.23	-78.40
COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012536396	1	49	0.0	-85.92	367.07	7.24	-78.68
CCN(C(=O)NCCC[N@H+](C)CCOC)C(C)(C)C(=O)[O-]	REAL300012536397	0	50	0.0	-77.12	371.40	6.58	-70.54
CCN(C(=O)NCCC[N@@H+](C)CCOC)C(C)(C)C(=O)[O-]	REAL300012536397	1	50	0.0	-75.94	371.24	6.54	-69.40
CCCN(C(=O)NCCC[N@H+](C)CCOC)C(C)C(=O)[O-]	REAL300012536398	0	50	0.0	-70.95	375.76	6.32	-64.63
CCCN(C(=O)NCCC[N@@H+](C)CCOC)C(C)C(=O)[O-]	REAL300012536398	1	50	0.0	-69.93	375.67	6.32	-63.61
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012536399	0	44	0.0	-68.82	359.20	6.10	-62.72
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012536399	1	44	0.0	-69.38	359.21	6.10	-63.28
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012536400	0	44	0.0	-68.82	359.20	6.10	-62.72
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012536400	1	44	0.0	-69.38	359.21	6.10	-63.28
COCC[N@H+](C)CCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012536401	0	57	0.0	-61.51	432.89	4.08	-57.43
COCC[N@@H+](C)CCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012536401	1	57	0.0	-60.33	432.94	4.08	-56.25
COCC[N@H+](C)CCCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012536402	0	46	0.0	-81.41	357.44	2.01	-79.40
COCC[N@@H+](C)CCCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012536402	1	46	0.0	-82.53	357.46	2.01	-80.52
COCC[N@H+](C)CCCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012536403	1	61	0.0	-59.47	452.88	3.72	-55.75
COCC[N@@H+](C)CCCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012536403	1	61	0.0	-61.16	452.92	3.72	-57.44
COCC[N@H+](C)CCCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012536404	0	52	0.0	-60.03	400.61	8.51	-51.52
COCC[N@@H+](C)CCCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012536404	1	52	0.0	-57.01	401.22	8.63	-48.38
COCC[N@H+](C)CCCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012536405	0	55	0.0	-64.09	409.70	8.93	-55.16
COCC[N@@H+](C)CCCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012536405	1	55	0.0	-63.12	409.81	8.93	-54.19
COCC[N@H+](C)CCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012536406	0	53	0.0	-73.45	402.47	7.01	-66.44
COCC[N@@H+](C)CCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012536406	1	53	0.0	-73.07	402.63	7.01	-66.06
COCC[N@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012536407	0	48	0.0	-74.36	382.59	5.93	-68.43
COCC[N@@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012536407	1	48	0.0	-75.33	382.61	5.94	-69.39
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012536408	0	51	0.0	-70.96	421.32	6.93	-64.03
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012536408	1	51	0.0	-71.40	421.57	6.87	-64.53
COCC[N@H+](C)CCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012536409	0	53	0.0	-75.03	422.94	5.80	-69.23
COCC[N@@H+](C)CCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012536409	1	53	0.0	-75.70	422.71	5.87	-69.83
C=CCCC(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536410	0	48	0.0	-73.65	380.96	5.11	-68.54
C=CCCC(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536410	1	48	0.0	-73.02	380.98	5.12	-67.90
COCC[N@H+](C)CCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012536411	0	47	0.0	-76.32	391.60	3.80	-72.52
COCC[N@@H+](C)CCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012536411	1	47	0.0	-77.32	391.62	3.80	-73.52
COCC[N@H+](C)CCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012536412	0	48	0.0	-69.86	410.29	5.60	-64.26
COCC[N@@H+](C)CCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012536412	1	48	0.0	-69.98	411.14	5.62	-64.36
COCC[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012536413	0	48	0.0	-88.65	375.91	3.22	-85.43
COCC[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012536413	1	48	0.0	-89.55	375.93	3.25	-86.30
COCC[N@H+](C)CCCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012536414	0	49	0.0	-74.60	373.51	4.94	-69.66
COCC[N@@H+](C)CCCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012536414	1	49	0.0	-74.77	373.69	4.96	-69.81
COCC[N@H+](C)CCCNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012536415	0	48	0.0	-78.88	362.48	6.25	-72.63
COCC[N@@H+](C)CCCNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012536415	1	48	0.0	-80.10	362.53	6.26	-73.84
COCC[N@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012536416	0	48	0.0	-75.56	382.79	5.84	-69.72
COCC[N@@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012536416	1	48	0.0	-74.40	382.20	5.88	-68.52
COCC[N@H+](C)CCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012536417	0	51	0.0	-76.20	392.27	5.20	-71.00
COCC[N@@H+](C)CCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012536417	1	51	0.0	-77.20	392.29	5.19	-72.01
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012536418	0	51	0.0	-58.43	380.94	7.16	-51.27
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012536418	1	51	0.0	-60.06	380.95	7.17	-52.89
CC[C@H](C)[C@H](NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536419	0	50	0.0	-74.37	377.91	4.75	-69.62
CC[C@H](C)[C@H](NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536419	1	50	0.0	-75.03	377.90	4.74	-70.29
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012536420	0	49	0.0	-83.25	378.32	1.68	-81.57
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012536420	1	49	0.0	-82.67	378.34	1.68	-80.99
COCC[N@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012536421	0	57	0.0	-76.57	430.45	5.05	-71.52
COCC[N@@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012536421	1	57	0.0	-75.16	429.94	5.07	-70.09
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012536422	0	51	0.0	-76.86	382.72	5.52	-71.34
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012536422	1	51	0.0	-77.92	382.74	5.52	-72.40
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012536423	0	54	0.0	-77.56	390.59	6.13	-71.43
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012536423	1	54	0.0	-78.79	390.60	6.15	-72.64
COCCC(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536424	0	48	0.0	-72.93	379.51	2.86	-70.07
COCCC(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536424	1	48	0.0	-74.19	380.33	2.85	-71.34
COCC[N@H+](C)CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012536425	0	54	0.0	-72.40	414.15	8.82	-63.58
COCC[N@@H+](C)CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012536425	1	54	0.0	-73.51	414.17	8.82	-64.69
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012536426	0	51	0.0	-79.16	383.98	6.19	-72.97
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012536426	1	51	0.0	-78.68	384.00	6.20	-72.48
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012536427	0	58	0.0	-80.76	431.72	8.26	-72.50
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012536427	1	58	0.0	-80.43	431.72	8.21	-72.22
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012536428	0	48	0.0	-75.42	375.16	4.85	-70.57
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012536428	1	48	0.0	-76.74	370.28	5.15	-71.59
COCC[N@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012536429	0	57	0.0	-75.31	431.02	5.03	-70.28
COCC[N@@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012536429	1	57	0.0	-75.66	430.52	5.07	-70.59
COCC[N@H+](C)CCCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012536430	0	46	0.0	-85.32	356.08	2.19	-83.13
COCC[N@@H+](C)CCCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012536430	1	46	0.0	-87.24	357.44	2.17	-85.07
COCC[N@H+](C)CCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012536431	0	56	0.0	-64.49	425.00	9.41	-55.08
COCC[N@@H+](C)CCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012536431	1	56	0.0	-63.67	425.02	9.43	-54.24
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012536432	0	49	0.0	-74.06	373.73	2.77	-71.29
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012536432	1	49	0.0	-74.50	373.45	2.82	-71.68
COCC[N@H+](C)CCCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012536433	0	49	0.0	-84.13	367.35	6.84	-77.29
COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012536433	1	49	0.0	-83.56	367.47	6.84	-76.72
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012536434	0	52	0.0	-81.78	414.46	6.00	-75.78
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012536434	1	52	0.0	-82.76	414.51	6.01	-76.75
COCC[N@H+](C)CCCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012536435	0	47	0.0	-80.69	360.00	4.51	-76.18
COCC[N@@H+](C)CCCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012536435	1	47	0.0	-81.13	360.06	4.51	-76.62
COCC[N@H+](C)CCCNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012536436	0	51	0.0	-83.02	377.61	7.56	-75.46
COCC[N@@H+](C)CCCNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012536436	1	51	0.0	-83.24	377.78	7.58	-75.66
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012536437	0	54	0.0	-74.35	421.81	7.20	-67.15
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012536437	1	54	0.0	-75.32	421.82	7.21	-68.11
COCC[N@H+](C)CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012536438	0	55	0.0	-72.72	414.63	7.64	-65.08
COCC[N@@H+](C)CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012536438	1	55	0.0	-74.28	414.91	7.59	-66.69
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012536439	0	48	0.0	-74.14	366.76	4.68	-69.46
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012536439	1	48	0.0	-75.24	366.81	4.68	-70.56
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012536440	0	61	0.0	-76.63	439.91	6.54	-70.09
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012536440	1	61	0.0	-76.59	440.07	6.56	-70.03
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012536441	0	54	0.0	-74.49	399.72	6.06	-68.43
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012536441	1	54	0.0	-76.47	400.40	5.99	-70.48
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012536442	0	48	0.0	-74.14	366.76	4.68	-69.46
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012536442	1	48	0.0	-75.24	366.81	4.68	-70.56
COCC[N@H+](C)CCCNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012536443	0	48	0.0	-81.50	366.76	6.00	-75.50
COCC[N@@H+](C)CCCNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012536443	1	48	0.0	-81.14	361.61	5.86	-75.28
COCC[N@H+](C)CCCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012536444	0	55	0.0	-77.81	420.83	4.96	-72.85
COCC[N@@H+](C)CCCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012536444	1	55	0.0	-73.49	418.66	5.59	-67.90
COCC[N@H+](C)CCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012536445	0	55	0.0	-53.72	392.47	7.52	-46.20
COCC[N@@H+](C)CCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012536445	1	55	0.0	-52.83	396.56	7.61	-45.22
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012536446	0	55	0.0	-76.63	396.52	4.77	-71.86
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012536446	1	55	0.0	-77.96	396.71	4.81	-73.15
COCC[N@H+](C)CCCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012536447	0	54	0.0	-75.56	443.26	8.05	-67.51
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012536447	1	54	0.0	-76.57	443.29	8.06	-68.51
COCC[N@H+](C)CCCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012536448	0	55	0.0	-65.30	415.04	8.84	-56.46
COCC[N@@H+](C)CCCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012536448	1	55	0.0	-64.56	415.17	8.84	-55.72
COCC[N@H+](C)CCCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012536449	0	49	0.0	-56.02	368.37	6.72	-49.30
COCC[N@@H+](C)CCCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012536449	1	49	0.0	-57.91	368.47	6.72	-51.19
COCC[N@H+](C)CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012536450	0	55	0.0	-72.72	414.63	7.64	-65.08
COCC[N@@H+](C)CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012536450	1	55	0.0	-74.28	414.91	7.59	-66.69
COCC[N@H+](C)CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012536451	0	51	0.0	-76.28	411.50	6.87	-69.41
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012536451	1	51	0.0	-70.80	410.62	6.88	-63.92
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012536452	0	49	0.0	-74.45	379.39	3.36	-71.09
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012536452	1	49	0.0	-74.03	379.41	3.36	-70.67
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012536453	0	45	0.0	-75.74	356.21	4.52	-71.22
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012536453	1	45	0.0	-76.79	356.23	4.53	-72.26
COCC[N@H+](C)CCCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012536454	0	49	0.0	-73.57	379.22	3.36	-70.21
COCC[N@@H+](C)CCCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012536454	1	49	0.0	-76.35	379.87	3.76	-72.59
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012536455	0	48	0.0	-76.44	386.43	5.37	-71.07
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012536455	1	48	0.0	-75.98	384.63	5.56	-70.42
CCC1(C(=O)[O-])CCCN1C(=O)NCCC[N@H+](C)CCOC	REAL300012536456	0	51	0.0	-81.61	375.72	7.48	-74.13
CCC1(C(=O)[O-])CCCN1C(=O)NCCC[N@@H+](C)CCOC	REAL300012536456	1	51	0.0	-81.24	375.25	7.26	-73.98
COCC[N@H+](C)CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012536457	0	44	0.0	-68.39	362.59	4.48	-63.91
COCC[N@@H+](C)CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012536457	1	44	0.0	-68.04	362.60	4.48	-63.56
COCC[N@H+](C)CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012536458	0	52	0.0	-71.48	395.85	3.52	-67.96
COCC[N@@H+](C)CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012536458	1	52	0.0	-72.15	397.02	4.38	-67.77
COCC[N@H+](C)CCCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012536459	0	48	0.0	-74.63	396.11	5.87	-68.76
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012536459	1	48	0.0	-73.99	396.14	5.88	-68.11
COCC[N@H+](C)CCCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012536460	0	55	0.0	-74.31	423.80	5.85	-68.46
COCC[N@@H+](C)CCCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012536460	1	55	0.0	-74.44	423.59	5.83	-68.61
COCC[N@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012536461	0	50	0.0	-74.60	367.53	4.83	-69.77
COCC[N@@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012536461	1	50	0.0	-74.40	365.73	4.79	-69.61
COCC[N@H+](C)CCCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012536462	0	49	0.0	-81.69	368.84	6.25	-75.44
COCC[N@@H+](C)CCCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012536462	1	49	0.0	-82.22	368.66	6.46	-75.76
COCC[N@H+](C)CCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012536463	0	54	0.0	-52.83	415.16	9.63	-43.20
COCC[N@@H+](C)CCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012536463	1	54	0.0	-54.85	414.30	9.72	-45.13
COCC[N@H+](C)CCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012536464	0	57	0.0	-73.38	426.74	7.04	-66.34
COCC[N@@H+](C)CCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012536464	1	57	0.0	-74.04	427.05	7.00	-67.04
COCC[N@H+](C)CCCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012536465	0	54	0.0	-75.10	428.06	7.56	-67.54
COCC[N@@H+](C)CCCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012536465	1	54	0.0	-74.46	428.08	7.58	-66.88
COCC[N@H+](C)CCCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012536466	0	54	0.0	-74.28	428.06	7.56	-66.72
COCC[N@@H+](C)CCCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012536466	1	54	0.0	-75.19	428.07	7.59	-67.60
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012536467	0	55	0.0	-75.79	408.94	6.42	-69.37
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012536467	1	55	0.0	-75.39	407.11	6.46	-68.93
COCC[N@H+](C)CCCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012536468	0	57	0.0	-73.31	426.60	7.11	-66.20
COCC[N@@H+](C)CCCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012536468	1	57	0.0	-74.89	427.02	7.00	-67.89
COCC[N@H+](C)CCCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012536469	0	57	0.0	-74.36	426.73	7.06	-67.30
COCC[N@@H+](C)CCCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012536469	1	57	0.0	-74.05	427.00	6.99	-67.06
COCC[N@H+](C)CCCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012536470	0	55	0.0	-55.35	407.28	7.65	-47.70
COCC[N@@H+](C)CCCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012536470	1	55	0.0	-56.09	408.09	7.61	-48.48
COCC[N@H+](C)CCCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012536471	0	55	0.0	-82.14	406.61	7.47	-74.67
COCC[N@@H+](C)CCCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012536471	1	55	0.0	-82.57	402.90	7.48	-75.09
COCC[N@H+](C)CCCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012536472	0	55	0.0	-74.49	433.68	6.10	-68.39
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012536472	1	55	0.0	-76.43	434.36	6.16	-70.27
C=CCSCC(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536473	0	49	0.0	-71.59	404.40	5.65	-65.94
C=CCSCC(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536473	1	49	0.0	-71.06	404.42	5.66	-65.40
COCC[N@H+](C)CCCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012536474	0	52	0.0	-74.05	425.02	7.20	-66.85
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012536474	1	52	0.0	-74.22	425.89	7.19	-67.03
COCC[N@H+](C)CCCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012536475	0	55	0.0	-87.49	444.48	6.84	-80.65
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012536475	1	55	0.0	-78.71	436.93	7.07	-71.64
CCC(C(=O)[O-])N(CC)C(=O)NCCC[N@H+](C)CCOC	REAL300012536476	0	50	0.0	-76.30	372.67	7.23	-69.07
CCC(C(=O)[O-])N(CC)C(=O)NCCC[N@@H+](C)CCOC	REAL300012536476	1	50	0.0	-75.16	373.67	7.25	-67.91
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012536477	0	52	0.0	-71.53	394.39	3.38	-68.15
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012536477	1	52	0.0	-70.69	393.61	3.42	-67.27
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012536478	0	54	0.0	-77.36	408.54	6.83	-70.53
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012536478	1	54	0.0	-78.53	408.59	6.83	-71.70
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012536479	0	55	0.0	-77.31	414.13	7.91	-69.40
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012536479	1	55	0.0	-78.32	414.08	7.94	-70.38
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012536480	0	48	0.0	-81.34	379.61	5.32	-76.02
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012536480	1	48	0.0	-80.72	379.62	5.32	-75.40
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012536482	0	60	0.0	-74.81	458.80	8.26	-66.55
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012536482	1	60	0.0	-75.03	458.77	8.27	-66.76
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012536483	0	57	0.0	-74.69	442.79	7.86	-66.83
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012536483	1	57	0.0	-74.63	443.05	7.79	-66.84
COCC[N@H+](C)CCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012536484	0	45	0.0	-77.74	351.91	5.78	-71.96
COCC[N@@H+](C)CCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012536484	1	45	0.0	-77.02	351.92	5.79	-71.23
COCC[N@H+](C)CCCNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012536485	0	47	0.0	-57.49	361.46	6.52	-50.97
COCC[N@@H+](C)CCCNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012536485	1	47	0.0	-56.13	361.50	6.52	-49.61
COCC[N@H+](C)CCCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012536486	0	51	0.0	-81.12	381.55	6.34	-74.78
COCC[N@@H+](C)CCCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012536486	1	51	0.0	-82.17	381.57	6.34	-75.83
CCOC1=CC=C(C(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-])C=C1	REAL300012536487	0	55	0.0	-74.48	434.18	6.07	-68.41
CCOC1=CC=C(C(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-])C=C1	REAL300012536487	1	55	0.0	-74.33	434.16	6.06	-68.27
COCC[N@H+](C)CCCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012536488	0	55	0.0	-82.92	402.09	8.54	-74.38
COCC[N@@H+](C)CCCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012536488	1	55	0.0	-83.18	402.08	8.54	-74.64
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012536489	0	55	0.0	-75.71	424.29	8.29	-67.42
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012536489	1	55	0.0	-74.74	423.28	7.76	-66.98
COCC[N@H+](C)CCCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012536490	0	55	0.0	-79.90	425.25	6.89	-73.01
COCC[N@@H+](C)CCCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012536490	1	55	0.0	-80.07	425.26	6.91	-73.16
COCC[N@H+](C)CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012536491	0	51	0.0	-77.51	418.21	6.79	-70.72
COCC[N@@H+](C)CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012536491	1	51	0.0	-77.57	419.06	6.78	-70.79
COCC[N@H+](C)CCCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012536492	0	53	0.0	-74.16	407.22	5.85	-68.31
COCC[N@@H+](C)CCCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012536492	1	53	0.0	-73.50	407.23	5.85	-67.65
COCC[N@H+](C)CCCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012536493	0	52	0.0	-55.56	392.26	7.19	-48.37
COCC[N@@H+](C)CCCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012536493	1	52	0.0	-56.92	394.71	7.13	-49.79
COCC[N@H+](C)CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012536494	0	52	0.0	-71.48	395.85	3.52	-67.96
COCC[N@@H+](C)CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012536494	1	52	0.0	-72.15	397.02	4.38	-67.77
COCC[N@H+](C)CCCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012536495	0	49	0.0	-77.96	388.66	6.89	-71.07
COCC[N@@H+](C)CCCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012536495	1	49	0.0	-77.79	388.51	6.87	-70.92
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012536496	0	52	0.0	-76.26	384.69	6.38	-69.88
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012536496	1	52	0.0	-77.44	384.74	6.38	-71.06
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012536497	0	49	0.0	-79.27	369.11	5.73	-73.54
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012536497	1	49	0.0	-78.52	369.16	5.73	-72.79
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012536498	0	52	0.0	-77.45	390.30	6.12	-71.33
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012536498	1	52	0.0	-77.63	390.42	6.13	-71.50
COCC[N@H+](C)CCCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012536499	0	54	0.0	-72.31	413.65	8.71	-63.60
COCC[N@@H+](C)CCCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012536499	1	54	0.0	-74.11	415.68	8.85	-65.26
COCC[N@H+](C)CCCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012536500	0	58	0.0	-55.42	421.31	8.17	-47.25
COCC[N@@H+](C)CCCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012536500	1	58	0.0	-57.30	421.36	8.16	-49.14
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012536501	0	51	0.0	-73.87	388.44	5.50	-68.37
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012536501	1	51	0.0	-75.00	388.46	5.51	-69.49
COCC[N@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012536502	0	48	0.0	-75.34	376.65	3.02	-72.32
COCC[N@@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012536502	1	48	0.0	-74.63	376.67	3.03	-71.60
COCC[N@H+](C)CCCNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012536503	0	48	0.0	-79.60	369.64	5.53	-74.07
COCC[N@@H+](C)CCCNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012536503	1	48	0.0	-80.54	369.69	5.53	-75.01
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012536504	0	51	0.0	-60.89	403.58	8.59	-52.30
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012536504	1	51	0.0	-59.74	403.59	8.61	-51.13
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012536505	0	58	0.0	-75.12	457.00	9.25	-65.87
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012536505	1	58	0.0	-75.35	457.02	9.25	-66.10
COCC[N@H+](C)CCCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012536506	0	51	0.0	-55.67	385.28	6.49	-49.18
COCC[N@@H+](C)CCCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012536506	1	51	0.0	-57.50	385.29	6.49	-51.01
COCC[N@H+](C)CCCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012536507	0	52	0.0	-78.01	404.82	8.87	-69.14
COCC[N@@H+](C)CCCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012536507	1	52	0.0	-58.51	409.30	8.39	-50.12
COCC[N@H+](C)CCCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012536508	0	48	0.0	-79.90	367.62	6.84	-73.06
COCC[N@@H+](C)CCCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012536508	1	48	0.0	-80.13	367.61	6.80	-73.33
COCC[N@H+](C)CCCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012536509	0	45	0.0	-83.40	357.08	5.83	-77.57
COCC[N@@H+](C)CCCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012536509	1	45	0.0	-82.72	357.09	5.84	-76.88
COCC[N@H+](C)CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012536510	0	51	0.0	-76.28	411.50	6.87	-69.41
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012536510	1	51	0.0	-70.80	410.62	6.88	-63.92
COCC[N@H+](C)CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012536511	0	48	0.0	-72.85	395.67	5.79	-67.06
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012536511	1	48	0.0	-74.00	395.92	5.72	-68.28
COCC[N@H+](C)CCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012536512	0	48	0.0	-72.89	374.59	6.36	-66.53
COCC[N@@H+](C)CCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012536512	1	48	0.0	-72.42	374.61	6.37	-66.05
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012536513	0	52	0.0	-77.54	409.84	6.51	-71.03
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012536513	1	52	0.0	-78.38	409.85	6.54	-71.84
COCC[N@H+](C)CCCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012536514	0	56	0.0	-79.05	433.59	8.17	-70.88
COCC[N@@H+](C)CCCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012536514	1	56	0.0	-78.18	433.68	8.17	-70.01
COCC[N@H+](C)CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012536515	0	48	0.0	-72.85	395.67	5.79	-67.06
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012536515	1	48	0.0	-74.00	395.92	5.72	-68.28
COCC[N@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012536516	0	52	0.0	-82.06	383.84	7.07	-74.99
COCC[N@@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012536516	1	52	0.0	-83.27	383.86	7.07	-76.20
COCCCC(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536517	0	51	0.0	-72.23	401.02	3.64	-68.59
COCCCC(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536517	1	51	0.0	-72.79	400.99	3.62	-69.17
CCCC(C(=O)[O-])N(C)C(=O)NCCC[N@H+](C)CCOC	REAL300012536518	0	50	0.0	-70.85	378.59	6.54	-64.31
CCCC(C(=O)[O-])N(C)C(=O)NCCC[N@@H+](C)CCOC	REAL300012536518	1	50	0.0	-71.52	378.57	6.54	-64.98
CCOCC(NC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012536519	0	48	0.0	-74.72	379.90	3.00	-71.72
CCOCC(NC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012536519	1	48	0.0	-75.38	379.88	2.98	-72.40
COCC[N@H+](C)CCCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012536520	0	53	0.0	-73.80	396.95	6.17	-67.63
COCC[N@@H+](C)CCCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012536520	1	53	0.0	-74.45	397.26	6.23	-68.22
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012536521	0	52	0.0	-77.11	397.86	4.35	-72.76
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012536521	1	52	0.0	-76.28	397.91	4.34	-71.94
COCC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012536522	0	52	0.0	-75.97	400.77	7.03	-68.94
COCC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012536522	1	52	0.0	-76.86	400.79	7.04	-69.82
COCC[N@H+](C)CCCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012536523	0	49	0.0	-81.61	367.95	5.28	-76.33
COCC[N@@H+](C)CCCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012536523	1	49	0.0	-81.71	368.14	5.28	-76.43
COCC[N@H+](C)CCCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012536524	0	51	0.0	-74.66	388.21	6.71	-67.95
COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012536524	1	51	0.0	-75.64	388.23	6.67	-68.97
COCC[N@H+](C)CCCNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012536525	0	45	0.0	-74.75	366.68	4.30	-70.45
COCC[N@@H+](C)CCCNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012536525	1	45	0.0	-74.57	367.52	4.29	-70.28
COCC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012536526	0	62	0.0	-77.13	438.53	7.95	-69.18
COCC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012536526	1	62	0.0	-76.61	437.61	7.90	-68.71
COCC[N@H+](C)CCCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012536527	0	54	0.0	-77.95	434.99	7.03	-70.92
COCC[N@@H+](C)CCCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012536527	1	54	0.0	-78.88	435.01	7.04	-71.84
COCC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012536528	0	48	0.0	-60.92	379.61	6.50	-54.42
COCC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012536528	1	48	0.0	-60.74	385.26	6.75	-53.99
COCC[N@H+](C)CCCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012536529	0	59	0.0	-82.62	418.40	7.57	-75.05
COCC[N@@H+](C)CCCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012536529	1	59	0.0	-81.69	418.68	7.27	-74.42
COCC[N@H+](C)CCCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012536530	0	50	0.0	-74.73	416.67	5.51	-69.22
COCC[N@@H+](C)CCCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012536530	1	50	0.0	-74.19	416.68	5.51	-68.68
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[N@H+](C)CCOC)C1	REAL300012536531	0	52	0.0	-80.33	401.27	5.36	-74.97
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[N@@H+](C)CCOC)C1	REAL300012536531	1	52	0.0	-80.82	401.22	5.38	-75.44
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CN3C=CC=CC3=N2)CC1	REAL300012536710	0	56	0.0	-70.00	439.59	8.67	-61.33
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537474	0	62	0.0	-64.76	472.04	10.28	-54.48
CCCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537474	1	62	0.0	-68.02	472.02	10.24	-57.78
CC(C)C(NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537475	0	62	0.0	-77.11	463.74	8.02	-69.09
CC(C)C(NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537475	1	62	0.0	-79.03	464.70	8.00	-71.03
O=C([O-])C1CCCN1C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537476	0	60	0.0	-83.64	450.96	9.47	-74.17
O=C([O-])C1CCCN1C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537476	1	60	0.0	-85.15	451.36	9.58	-75.57
O=C([O-])CNC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537477	0	53	0.0	-68.14	410.00	5.87	-62.27
O=C([O-])CNC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537477	1	53	0.0	-68.04	409.98	5.83	-62.21
CCC(NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537478	0	59	0.0	-77.19	451.78	7.72	-69.47
CCC(NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537478	1	59	0.0	-78.80	452.59	7.68	-71.12
CC(C)C(NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537479	0	62	0.0	-77.11	463.74	8.02	-69.09
CC(C)C(NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537479	1	62	0.0	-79.03	464.70	8.00	-71.03
CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537480	0	56	0.0	-77.74	428.74	8.54	-69.20
CN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537480	1	56	0.0	-77.77	428.71	8.50	-69.27
CC(NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537481	0	56	0.0	-68.51	430.62	6.72	-61.79
CC(NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537481	1	56	0.0	-68.67	430.60	6.68	-61.99
CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537482	0	56	0.0	-77.74	428.74	8.54	-69.20
CN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537482	1	56	0.0	-77.77	428.71	8.50	-69.27
CC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537483	0	62	0.0	-65.62	460.66	9.80	-55.82
CC(C)N(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537483	1	62	0.0	-68.79	460.65	9.76	-59.03
O=C([O-])CN(C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C1CC1	REAL300012537484	0	60	0.0	-65.38	453.39	9.90	-55.48
O=C([O-])CN(C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012537484	1	60	0.0	-65.74	454.08	10.05	-55.69
C=CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537485	0	60	0.0	-64.54	463.36	10.08	-54.46
C=CCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537485	1	60	0.0	-67.83	463.33	10.04	-57.79
CC(C)(NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537486	0	59	0.0	-67.10	443.36	7.09	-60.01
CC(C)(NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537486	1	59	0.0	-67.14	443.34	7.05	-60.09
CC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537487	0	62	0.0	-65.62	460.66	9.80	-55.82
CC(C)N(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537487	1	62	0.0	-68.79	460.65	9.76	-59.03
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537488	0	62	0.0	-64.76	472.04	10.28	-54.48
CCCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537488	1	62	0.0	-68.02	472.02	10.24	-57.78
CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537489	0	59	0.0	-77.93	450.54	9.52	-68.41
CCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537489	1	59	0.0	-77.73	450.52	9.48	-68.25
CCC(C)(NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537490	0	62	0.0	-77.71	456.75	8.09	-69.62
CCC(C)(NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537490	1	62	0.0	-79.39	456.73	8.05	-71.34
C[C@H](NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537491	0	56	0.0	-68.15	430.37	6.55	-61.60
C[C@H](NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537491	1	56	0.0	-68.44	430.04	6.58	-61.86
CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537492	0	59	0.0	-77.93	450.54	9.52	-68.41
CCN(CC(=O)[O-])C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537492	1	59	0.0	-77.73	450.52	9.48	-68.25
C[C@@H](NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537493	0	56	0.0	-69.18	431.10	6.65	-62.53
C[C@@H](NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537493	1	56	0.0	-69.08	431.08	6.61	-62.47
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)CC1	REAL300012537494	0	57	0.0	-83.09	436.53	7.76	-75.33
O=C([O-])C1(NC(=O)NCCCCN2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300012537494	1	57	0.0	-84.79	436.92	7.86	-76.93
O=C([O-])C(NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C1CC1	REAL300012537495	0	60	0.0	-79.12	456.84	8.19	-70.93
O=C([O-])C(NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012537495	1	60	0.0	-78.79	461.63	8.14	-70.65
O=C([O-])[C@H]1CCCN1C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537496	0	60	0.0	-84.64	451.72	9.17	-75.47
O=C([O-])[C@H]1CCCN1C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537496	1	60	0.0	-84.73	451.34	9.19	-75.54
C[C@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537497	0	59	0.0	-73.94	443.13	8.67	-65.27
C[C@H](C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537497	1	59	0.0	-74.02	442.55	8.67	-65.35
O=C([O-])[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537498	0	60	0.0	-84.06	451.36	9.63	-74.43
O=C([O-])[C@@H]1CCCN1C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537498	1	60	0.0	-85.03	451.72	9.64	-75.39
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)CCC1	REAL300012537499	0	60	0.0	-82.30	453.45	8.27	-74.03
O=C([O-])C1(NC(=O)NCCCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCC1	REAL300012537499	1	60	0.0	-84.16	453.84	8.37	-75.79
C=CCC(NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537500	0	60	0.0	-76.76	465.10	8.17	-68.59
C=CCC(NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537500	1	60	0.0	-77.85	465.08	8.13	-69.72
O=C([O-])C(NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C1CC1	REAL300012537501	0	60	0.0	-79.12	456.84	8.19	-70.93
O=C([O-])C(NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012537501	1	60	0.0	-78.79	461.63	8.14	-70.65
CC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537502	0	59	0.0	-73.98	442.57	8.71	-65.27
CC(C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537502	1	59	0.0	-73.62	443.62	8.73	-64.89
COCC(NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537503	0	60	0.0	-78.94	463.99	5.94	-73.00
COCC(NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537503	1	60	0.0	-80.49	464.45	5.90	-74.59
O=C([O-])CN(C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C1CC1	REAL300012537504	0	60	0.0	-65.38	453.39	9.90	-55.48
O=C([O-])CN(C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012537504	1	60	0.0	-65.74	454.08	10.05	-55.69
O=C([O-])C(CF)NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537505	0	56	0.0	-66.42	434.41	6.70	-59.72
O=C([O-])C(CF)NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537505	1	56	0.0	-66.79	434.38	6.66	-60.13
CC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537506	0	59	0.0	-73.98	442.57	8.71	-65.27
CC(C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537506	1	59	0.0	-73.62	443.62	8.73	-64.89
O=C([O-])C(CCF)NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537507	0	59	0.0	-75.84	458.38	7.86	-67.98
O=C([O-])C(CCF)NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537507	1	59	0.0	-76.56	458.35	7.83	-68.73
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537508	0	59	0.0	-73.97	442.71	8.77	-65.20
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537508	1	59	0.0	-74.21	442.69	8.73	-65.48
COC[C@H](NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537509	0	60	0.0	-78.92	464.06	5.81	-73.11
COC[C@H](NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537509	1	60	0.0	-80.47	464.46	5.92	-74.55
CC[C@H](NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537510	0	59	0.0	-76.75	451.39	7.60	-69.15
CC[C@H](NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537510	1	59	0.0	-77.50	451.04	7.61	-69.89
O=C([O-])[C@H]1CCCN1C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537511	0	60	0.0	-84.64	451.72	9.17	-75.47
O=C([O-])[C@H]1CCCN1C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537511	1	60	0.0	-84.73	451.34	9.19	-75.54
CCCC(NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537512	0	62	0.0	-77.17	473.28	8.50	-68.67
CCCC(NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537512	1	62	0.0	-78.68	474.09	8.44	-70.24
CC(C)[C@@H](NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537513	0	62	0.0	-78.43	464.32	7.90	-70.53
CC(C)[C@@H](NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537513	1	62	0.0	-78.05	467.72	8.28	-69.77
CN(C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012537514	0	62	0.0	-81.68	457.85	9.59	-72.09
CN(C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012537514	1	62	0.0	-82.33	457.83	9.56	-72.77
O=C([O-])[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537515	0	60	0.0	-84.06	451.36	9.63	-74.43
O=C([O-])[C@@H]1CCCN1C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537515	1	60	0.0	-85.03	451.72	9.64	-75.39
CCC[C@@H](NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537516	0	62	0.0	-77.55	473.46	8.40	-69.15
CCC[C@@H](NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537516	1	62	0.0	-78.17	473.85	8.50	-69.67
CC(C)[C@H](NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537517	0	62	0.0	-76.53	466.79	8.25	-68.28
CC(C)[C@H](NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537517	1	62	0.0	-76.93	466.05	8.14	-68.79
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537518	0	59	0.0	-73.97	442.71	8.77	-65.20
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537518	1	59	0.0	-74.21	442.69	8.73	-65.48
CCC[C@H](NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537519	0	62	0.0	-77.37	473.71	8.34	-69.03
CCC[C@H](NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537519	1	62	0.0	-78.40	473.85	8.50	-69.90
CCN(C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012537520	0	62	0.0	-79.76	463.53	10.26	-69.50
CCN(C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012537520	1	62	0.0	-73.97	459.79	9.41	-64.56
CC(CN(C)C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537521	0	62	0.0	-77.75	462.97	9.18	-68.57
CC(CN(C)C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537521	1	62	0.0	-76.55	462.95	9.14	-67.41
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537522	0	62	0.0	-73.56	463.68	9.70	-63.86
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537522	1	62	0.0	-74.21	463.56	9.70	-64.51
C=CCC(NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537523	0	60	0.0	-76.76	465.10	8.17	-68.59
C=CCC(NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012537523	1	60	0.0	-77.85	465.08	8.13	-69.72
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)COC1	REAL300012537524	0	58	0.0	-76.84	445.07	5.50	-71.34
O=C([O-])C1(NC(=O)NCCCCN2CC[NH+](CC3=CC=CC=C3)CC2)COC1	REAL300012537524	1	58	0.0	-77.28	443.82	5.35	-71.93
C[C@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300012537525	0	59	0.0	-73.94	443.13	8.67	-65.27
C[C@H](C(=O)[O-])N(C)C(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012537525	1	59	0.0	-74.02	442.55	8.67	-65.35
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC3=CC=CN=C3C=C2)CC1	REAL300012538002	0	55	0.0	-65.05	432.30	7.77	-57.28
CC(C)C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538135	0	55	0.0	-68.84	399.14	8.24	-60.60
C=CCOCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538136	0	54	0.0	-67.11	408.46	6.77	-60.34
C=CC(C)C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538137	0	53	0.0	-70.43	388.21	7.80	-62.63
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCOCC1	REAL300012538138	0	57	0.0	-69.61	406.48	6.72	-62.89
COC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C(C(=O)[O-])C1	REAL300012538139	0	57	0.0	-79.17	404.50	9.11	-70.06
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCCOC1	REAL300012538140	0	57	0.0	-68.27	407.26	7.09	-61.18
CC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C(C(=O)[O-])C1	REAL300012538141	0	56	0.0	-76.54	385.91	10.18	-66.36
CCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538142	0	52	0.0	-52.32	381.41	9.49	-42.83
CC(C(=O)[O-])N(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCC1	REAL300012538143	0	56	0.0	-51.66	393.72	9.92	-41.74
CCCN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C(COC)C(=O)[O-]	REAL300012538144	0	59	0.0	-63.75	420.07	9.13	-54.62
CCCN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C(CC)C(=O)[O-]	REAL300012538145	0	58	0.0	-65.89	407.17	10.32	-55.57
CC(C)C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538146	0	52	0.0	-69.63	379.03	7.51	-62.12
O=C([O-])C1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538147	0	53	0.0	-76.81	371.65	9.89	-66.92
O=C([O-])C1CSCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538148	0	51	0.0	-77.15	372.39	10.08	-67.07
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCCC1	REAL300012538149	0	56	0.0	-73.54	391.50	9.15	-64.39
O=C([O-])C1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538150	0	50	0.0	-75.62	360.02	8.83	-66.79
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCC1	REAL300012538151	0	53	0.0	-68.99	376.28	8.03	-60.96
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCCCC1	REAL300012538152	0	59	0.0	-70.60	397.17	9.82	-60.78
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538153	0	56	0.0	-71.16	420.35	9.94	-61.22
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538154	0	56	0.0	-51.86	418.91	11.74	-40.12
O=C([O-])CNC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538155	0	43	0.0	-57.70	319.37	5.08	-52.62
O=C([O-])[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1=CC=CC=C1	REAL300012538156	0	53	0.0	-65.94	397.21	9.08	-56.86
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1=CC=CC=C1	REAL300012538157	0	53	0.0	-69.41	398.12	9.00	-60.41
CCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538158	0	49	0.0	-66.04	361.98	6.94	-59.10
CC(C)C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538159	0	52	0.0	-69.63	379.03	7.51	-62.12
CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538160	0	46	0.0	-65.53	338.10	7.75	-57.78
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538161	0	56	0.0	-71.16	420.35	9.94	-61.22
CC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538162	0	46	0.0	-58.76	339.99	5.94	-52.82
CCC(C)C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538163	0	55	0.0	-66.88	392.64	7.92	-58.96
CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538164	0	46	0.0	-65.53	338.10	7.75	-57.78
O=C([O-])C1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538165	0	53	0.0	-76.81	371.65	9.89	-66.92
CCCC(C)(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538166	0	55	0.0	-65.63	387.62	8.06	-57.57
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538167	0	52	0.0	-50.64	370.22	9.00	-41.64
O=C([O-])CN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1	REAL300012538168	0	50	0.0	-43.62	362.90	9.14	-34.48
C=CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538169	0	50	0.0	-52.05	372.72	9.30	-42.75
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538170	0	55	0.0	-51.81	395.82	9.80	-42.01
CC(C)(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538171	0	49	0.0	-56.79	352.73	6.31	-50.48
CC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)(C(=O)[O-])C1CC1	REAL300012538172	0	53	0.0	-69.56	374.84	8.06	-61.50
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1=CC=CS1	REAL300012538173	0	50	0.0	-66.92	392.30	8.33	-58.59
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCCC1	REAL300012538174	0	56	0.0	-73.54	391.50	9.15	-64.39
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538175	0	52	0.0	-50.64	370.22	9.00	-41.64
CCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538176	0	52	0.0	-52.32	381.41	9.49	-42.83
CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538177	0	49	0.0	-65.72	359.91	8.73	-56.99
CC[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538178	0	55	0.0	-70.02	393.23	7.89	-62.13
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCC1	REAL300012538179	0	53	0.0	-68.99	376.28	8.03	-60.96
CCC(C)(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538180	0	52	0.0	-65.35	366.12	7.30	-58.05
CC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012538181	0	56	0.0	-66.24	405.91	9.81	-56.43
C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538182	0	46	0.0	-58.72	339.99	5.94	-52.78
CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538183	0	49	0.0	-65.72	359.91	8.73	-56.99
CCCCCCC(C)(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538184	0	64	0.0	-65.77	452.12	10.39	-55.38
C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538185	0	46	0.0	-58.27	340.46	5.88	-52.39
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	REAL300012538186	0	47	0.0	-71.76	345.60	7.12	-64.64
O=C([O-])C1COCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538187	0	51	0.0	-75.10	363.10	7.53	-67.57
CN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1(C(=O)[O-])CCCCC1	REAL300012538188	0	59	0.0	-69.85	400.77	10.47	-59.38
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1	REAL300012538189	0	50	0.0	-65.59	365.50	7.40	-58.19
CN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012538190	0	56	0.0	-66.45	405.44	10.56	-55.89
COCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538191	0	53	0.0	-52.68	391.28	7.92	-44.76
O=C([O-])[C@H]1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538192	0	50	0.0	-73.59	362.86	8.42	-65.17
O=C([O-])[C@H]1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538193	0	53	0.0	-76.17	371.77	9.81	-66.36
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538194	0	49	0.0	-61.88	352.29	7.98	-53.90
O=C([O-])[C@@H]1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538195	0	50	0.0	-75.69	360.75	8.84	-66.85
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC1	REAL300012538196	0	50	0.0	-74.11	363.22	7.63	-66.48
C=CCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538197	0	50	0.0	-65.19	375.02	7.45	-57.74
CC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538198	0	53	0.0	-75.85	377.90	9.39	-66.46
O=C([O-])C1CCCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538199	0	56	0.0	-72.61	386.91	10.72	-61.89
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1	REAL300012538200	0	50	0.0	-65.59	365.50	7.40	-58.19
CC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538201	0	49	0.0	-65.45	352.07	7.99	-57.46
CCCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538202	0	55	0.0	-65.89	404.98	8.49	-57.40
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538203	0	53	0.0	-76.61	381.55	9.55	-67.06
O=C([O-])CN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCCC1	REAL300012538204	0	56	0.0	-58.49	397.37	10.56	-47.93
COCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538205	0	50	0.0	-66.96	373.84	5.17	-61.79
CCCCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538206	0	58	0.0	-65.87	426.48	9.27	-56.60
CCC1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)(C(=O)[O-])CC1	REAL300012538207	0	62	0.0	-69.67	430.58	10.40	-59.27
O=C([O-])CN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCOCC1	REAL300012538208	0	57	0.0	-52.83	407.84	8.85	-43.98
CN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1(C(=O)[O-])CCCC1	REAL300012538209	0	56	0.0	-71.11	389.10	9.97	-61.14
CC(C(=O)[O-])N(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1	REAL300012538210	0	53	0.0	-50.63	377.90	9.27	-41.36
CCC(C(=O)[O-])N(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1	REAL300012538211	0	56	0.0	-56.35	398.01	10.31	-46.04
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1=CC=CC=C1F	REAL300012538212	0	53	0.0	-70.49	402.32	9.18	-61.31
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538213	0	62	0.0	-69.44	441.48	10.15	-59.29
CC1=CC=C(C(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C(=O)[O-])C=C1	REAL300012538214	0	56	0.0	-66.44	419.33	9.76	-56.68
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538215	0	49	0.0	-60.00	377.68	7.71	-52.29
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCSCC1	REAL300012538216	0	54	0.0	-69.84	389.19	8.81	-61.03
COCC(C)(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538217	0	53	0.0	-69.99	384.37	6.59	-63.40
CCOCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538218	0	56	0.0	-63.85	404.97	8.33	-55.52
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538219	0	55	0.0	-51.81	395.82	9.80	-42.01
O=C([O-])CN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1	REAL300012538220	0	50	0.0	-43.62	362.90	9.14	-34.48
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538221	0	52	0.0	-53.34	399.54	9.87	-43.47
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCOC1	REAL300012538222	0	51	0.0	-68.48	367.63	5.43	-63.05
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCCCC1	REAL300012538223	0	59	0.0	-68.01	415.73	9.14	-58.87
CN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C(COC1CCC1)C(=O)[O-]	REAL300012538224	0	60	0.0	-63.23	434.67	9.84	-53.39
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCOCC1	REAL300012538225	0	54	0.0	-68.65	382.21	6.63	-62.02
C=CCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538226	0	53	0.0	-65.89	396.29	8.27	-57.62
O=C([O-])C(CF)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538227	0	46	0.0	-55.98	344.09	5.91	-50.07
CC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538228	0	49	0.0	-65.45	352.07	7.99	-57.46
CCC(CC)(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538229	0	55	0.0	-66.58	382.51	8.20	-58.38
CCC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538230	0	55	0.0	-51.02	392.46	10.35	-40.67
CCC(COC)(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538231	0	56	0.0	-71.31	400.81	7.51	-63.80
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538232	0	59	0.0	-64.13	424.64	8.99	-55.14
O=C([O-])C(CC1CC1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538233	0	53	0.0	-68.61	395.91	8.71	-59.90
COCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538234	0	53	0.0	-66.27	395.66	6.00	-60.27
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538235	0	58	0.0	-62.85	412.86	10.50	-52.35
O=C([O-])C(CC(F)F)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538236	0	49	0.0	-65.85	374.09	7.28	-58.57
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538237	0	59	0.0	-76.59	416.04	11.56	-65.03
CCCN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C(C)C(=O)[O-]	REAL300012538238	0	55	0.0	-31.68	385.25	10.42	-21.26
O=C([O-])C(CCF)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538239	0	49	0.0	-64.64	368.33	7.14	-57.50
COC1(CC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C(=O)[O-])CCC1	REAL300012538240	0	60	0.0	-70.50	432.26	8.21	-62.29
O=C([O-])CN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCOCC1	REAL300012538241	0	57	0.0	-52.83	407.84	8.85	-43.98
O=C([O-])CN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCCCC1	REAL300012538242	0	59	0.0	-58.85	414.78	11.27	-47.58
C[C@H]1CC[C@@](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)(C(=O)[O-])CC1	REAL300012538243	0	59	0.0	-69.76	405.30	9.52	-60.24
CC(CCF)(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538244	0	52	0.0	-62.66	372.71	7.45	-55.21
O=C([O-])C1C2=C(CCN1C(=O)NCC1([NH+]3CCSCC3)CCCC1)OC=C2	REAL300012538245	0	54	0.0	-52.58	394.68	9.60	-42.98
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538246	0	50	0.0	-67.84	375.86	8.59	-59.25
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538247	0	49	0.0	-65.43	352.08	7.99	-57.44
CC1(C)CCCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)(C(=O)[O-])C1	REAL300012538248	0	62	0.0	-71.14	419.41	10.03	-61.11
O=C([O-])C12CC(C1)CN2C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538249	0	51	0.0	-79.26	368.52	9.47	-69.79
COC1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C(C)(C(=O)[O-])C1	REAL300012538250	0	57	0.0	-76.14	412.45	8.61	-67.53
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538251	0	60	0.0	-67.45	428.91	8.52	-58.93
CC(C)(C)[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538252	0	55	0.0	-70.40	392.06	8.03	-62.37
C=C(Cl)CC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538253	0	50	0.0	-60.92	390.21	8.12	-52.80
C=C(C)CC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538254	0	53	0.0	-66.23	394.88	8.31	-57.92
O=C([O-])C12CCC(CC1)N2C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538255	0	54	0.0	-81.56	382.96	10.27	-71.29
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538256	0	50	0.0	-69.63	374.46	8.71	-60.92
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538257	0	50	0.0	-73.87	367.22	8.94	-64.93
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300012538258	0	51	0.0	-75.94	374.92	8.92	-67.02
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538259	0	60	0.0	-71.37	433.45	7.75	-63.62
CC(C)C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538260	0	55	0.0	-68.84	399.14	8.24	-60.60
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCOCC1	REAL300012538261	0	57	0.0	-69.61	406.48	6.72	-62.89
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1=CC=CC=C1	REAL300012538262	0	53	0.0	-69.41	398.12	9.00	-60.41
O=C([O-])C(CC1CC1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538263	0	53	0.0	-68.61	395.91	8.71	-59.90
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538264	0	52	0.0	-67.23	406.97	7.10	-60.13
CC(C)CCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538265	0	61	0.0	-65.93	444.05	9.79	-56.14
O=C([O-])C(CC1CCCO1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538266	0	57	0.0	-69.22	421.08	7.59	-61.63
CSCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538267	0	50	0.0	-62.70	385.44	7.35	-55.35
COC[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538268	0	50	0.0	-69.62	372.64	5.15	-64.47
CC[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538269	0	49	0.0	-68.44	360.44	6.93	-61.51
CCC(C)CC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538270	0	58	0.0	-65.95	418.35	8.94	-57.01
C=CCCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538271	0	56	0.0	-66.19	417.79	9.05	-57.14
O=C([O-])C1CSCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538272	0	51	0.0	-77.15	372.39	10.08	-67.07
CC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012538273	0	56	0.0	-66.24	405.91	9.81	-56.43
O=C([O-])[C@H]1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538274	0	50	0.0	-73.59	362.86	8.42	-65.17
CCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538275	0	52	0.0	-65.93	383.48	7.71	-58.22
CC(C)[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538276	0	52	0.0	-65.74	378.31	7.49	-58.25
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538277	0	54	0.0	-81.14	382.51	10.63	-70.51
CCN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C(C)(C)C(=O)[O-]	REAL300012538278	0	55	0.0	-68.62	386.50	9.60	-59.02
CCCN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C(C)C(=O)[O-]	REAL300012538279	0	55	0.0	-31.68	385.25	10.42	-21.26
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538280	0	49	0.0	-61.83	374.55	9.25	-52.58
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538281	0	49	0.0	-61.83	374.55	9.25	-52.58
CN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C(C)(C)C(=O)[O-]	REAL300012538282	0	52	0.0	-68.76	367.38	8.70	-60.06
O=C([O-])[C@@H]1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538283	0	50	0.0	-75.69	360.75	8.84	-66.85
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538284	0	51	0.0	-73.54	372.77	5.16	-68.38
CCC[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538285	0	52	0.0	-65.42	382.77	7.68	-57.74
O=C([O-])[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1=CC=CC=C1	REAL300012538286	0	53	0.0	-65.94	397.21	9.08	-56.86
C=CCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538287	0	53	0.0	-65.89	396.29	8.27	-57.62
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538288	0	52	0.0	-68.92	406.69	7.00	-61.92
CN1CC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1=O	REAL300012538289	0	54	0.0	-67.24	388.56	7.96	-59.28
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538290	0	53	0.0	-70.61	377.45	9.36	-61.25
CC(C)[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538291	0	52	0.0	-68.11	372.39	7.23	-60.88
O=C([O-])[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1=CC=CC=C1	REAL300012538292	0	53	0.0	-68.84	397.50	9.03	-59.81
CC(CN1C=CC=N1)(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538293	0	56	0.0	-69.49	407.59	8.35	-61.14
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538294	0	49	0.0	-65.43	352.08	7.99	-57.44
CCC[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538295	0	52	0.0	-68.41	381.93	7.70	-60.71
CCN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C(C)C(=O)[O-]	REAL300012538296	0	52	0.0	-62.92	369.67	8.77	-54.15
O=C([O-])CN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCCC1	REAL300012538297	0	56	0.0	-58.49	397.37	10.56	-47.93
CC(CN(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538298	0	52	0.0	-74.94	374.26	8.69	-66.25
CC[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538299	0	55	0.0	-70.02	393.23	7.89	-62.13
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538300	0	52	0.0	-68.23	373.78	9.19	-59.04
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC(CO)C1	REAL300012538301	0	54	0.0	-71.07	395.41	4.94	-66.13
CC1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)(C(=O)[O-])C1	REAL300012538302	0	56	0.0	-70.14	397.03	8.65	-61.49
CC1(C)CCCC1(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538303	0	59	0.0	-73.88	405.85	9.27	-64.61
COCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538304	0	53	0.0	-66.27	395.66	6.00	-60.27
CC1(C)CC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)(C(=O)[O-])C1	REAL300012538305	0	56	0.0	-71.74	399.54	9.36	-62.38
CC1(C(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C(=O)[O-])CC1	REAL300012538306	0	53	0.0	-71.58	384.83	8.54	-63.04
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538307	0	51	0.0	-77.88	371.43	5.32	-72.56
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCOC1	REAL300012538308	0	54	0.0	-68.63	390.54	6.21	-62.42
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538309	0	54	0.0	-80.66	386.27	10.21	-70.45
O=C([O-])C12COC(CN1C(=O)NCC1([NH+]3CCSCC3)CCCC1)C2	REAL300012538310	0	52	0.0	-75.67	374.21	7.73	-67.94
CC1CCC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300012538311	0	56	0.0	-79.19	388.49	10.93	-68.26
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538312	0	60	0.0	-69.68	437.82	10.28	-59.40
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCC1	REAL300012538313	0	53	0.0	-66.79	382.13	7.82	-58.97
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCCCC1	REAL300012538314	0	59	0.0	-68.01	415.73	9.14	-58.87
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCC1	REAL300012538315	0	53	0.0	-66.79	382.13	7.82	-58.97
CC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1C(=O)[O-]	REAL300012538316	0	53	0.0	-76.70	381.33	9.43	-67.27
C=CCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538317	0	50	0.0	-65.19	375.02	7.45	-57.74
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538318	0	60	0.0	-72.72	438.51	8.33	-64.39
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538319	0	60	0.0	-35.06	407.85	10.62	-24.44
CC1(C)CC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)(C(=O)[O-])CCO1	REAL300012538320	0	60	0.0	-74.06	411.98	7.90	-66.16
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538321	0	54	0.0	-53.79	380.25	10.07	-43.72
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538322	0	60	0.0	-69.68	437.82	10.28	-59.40
COC1CC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)(C(=O)[O-])C1	REAL300012538323	0	54	0.0	-66.84	394.84	6.51	-60.33
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC(F)(F)C1	REAL300012538324	0	50	0.0	-69.91	371.54	7.67	-62.24
CO[C@H]1C[C@](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)(C(=O)[O-])C1	REAL300012538325	0	54	0.0	-66.90	394.94	6.50	-60.40
CCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538326	0	56	0.0	-78.73	393.97	10.65	-68.08
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538327	0	49	0.0	-60.00	377.68	7.71	-52.29
O=C([O-])C(CC1CCOC1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538328	0	57	0.0	-68.38	415.55	7.02	-61.36
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)COC1	REAL300012538329	0	48	0.0	-65.12	353.93	4.69	-60.43
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538330	0	53	0.0	-64.58	412.37	9.01	-55.57
CC(C)C(C)(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538331	0	55	0.0	-66.55	382.86	7.99	-58.56
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538332	0	51	0.0	-78.35	368.22	9.98	-68.37
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538333	0	54	0.0	-74.71	383.91	9.45	-65.26
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538334	0	62	0.0	-69.44	441.48	10.15	-59.29
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC2CCC1C2	REAL300012538335	0	60	0.0	-67.49	423.95	9.74	-57.75
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538336	0	62	0.0	-70.37	443.44	10.45	-59.92
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538337	0	62	0.0	-69.47	440.77	10.13	-59.34
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538338	0	60	0.0	-46.35	423.40	10.76	-35.59
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538339	0	60	0.0	-75.78	419.57	10.53	-65.25
C=CCSCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538340	0	54	0.0	-63.30	419.96	8.74	-54.56
CCC(C(=O)[O-])N(CC)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538341	0	55	0.0	-63.65	386.62	9.73	-53.92
COC1(C(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C(=O)[O-])CCC1	REAL300012538342	0	57	0.0	-65.66	408.42	6.53	-59.13
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC(C(F)F)C1	REAL300012538343	0	53	0.0	-65.78	393.21	8.38	-57.40
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538345	0	50	0.0	-73.87	367.22	8.94	-64.93
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538346	0	52	0.0	-46.86	376.31	9.61	-37.25
CC1(C)CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1C(=O)[O-]	REAL300012538347	0	56	0.0	-74.31	394.71	9.60	-64.71
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538348	0	60	0.0	-77.64	415.18	11.47	-66.17
CC(C)CCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538349	0	58	0.0	-66.05	422.55	9.00	-57.05
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538350	0	57	0.0	-46.92	410.03	10.26	-36.66
O=C([O-])C(CC1CCOC1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538351	0	57	0.0	-68.38	415.55	7.02	-61.36
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300012538352	0	54	0.0	-74.44	405.00	9.80	-64.64
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCC2CC21	REAL300012538353	0	57	0.0	-72.67	399.82	9.52	-63.15
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC2CC21	REAL300012538354	0	54	0.0	-75.65	387.62	9.09	-66.56
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC2(CCC2)C1	REAL300012538355	0	57	0.0	-72.72	407.08	9.53	-63.19
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCCC1	REAL300012538356	0	56	0.0	-67.12	398.19	8.46	-58.66
CO[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538357	0	53	0.0	-69.89	391.27	6.16	-63.73
CC1[C@@H](C)[C@@]1(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538358	0	53	0.0	-70.32	375.94	8.16	-62.16
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538359	0	56	0.0	-51.86	418.91	11.74	-40.12
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300012538360	0	56	0.0	-40.12	402.08	9.45	-30.67
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538361	0	53	0.0	-75.89	382.90	9.97	-65.92
O=C([O-])C1N(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC1(F)F	REAL300012538362	0	50	0.0	-80.31	372.42	8.97	-71.34
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538363	0	53	0.0	-70.07	411.24	8.86	-61.21
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538364	0	53	0.0	-69.12	393.07	9.72	-59.40
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538365	0	53	0.0	-70.07	411.24	8.86	-61.21
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538366	0	57	0.0	-75.22	398.22	9.88	-65.34
COCCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538367	0	56	0.0	-65.41	417.16	6.78	-58.63
CCCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538368	0	55	0.0	-62.91	394.95	9.83	-53.08
CCOCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538369	0	53	0.0	-66.79	395.56	6.20	-60.59
CC(C)(C)CC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538370	0	58	0.0	-66.02	412.01	9.36	-56.66
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCCCO1	REAL300012538371	0	57	0.0	-71.91	412.51	7.48	-64.43
C[C@H]1OCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@@H]1C(=O)[O-]	REAL300012538372	0	54	0.0	-73.96	382.74	8.14	-65.82
N#CCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300012538373	0	50	0.0	-68.10	382.84	7.44	-60.66
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538374	0	53	0.0	-53.23	403.72	10.09	-43.14
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300012538375	0	49	0.0	-61.88	352.29	7.98	-53.90
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300012538376	0	57	0.0	-72.92	418.76	9.05	-63.87
CC1CCCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012538748	0	56	0.0	-62.39	414.35	7.72	-54.67
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539433	1	54	0.0	-88.64	425.49	9.37	-79.27
C=CCOCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539434	1	53	0.0	-87.60	433.81	7.88	-79.72
C=CC(C)C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539435	1	52	0.0	-86.31	412.76	8.96	-77.35
CC1CCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)C(C(=O)[O-])C1	REAL300012539436	1	55	0.0	-91.41	417.78	11.83	-79.58
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539437	1	51	0.0	-72.28	406.62	10.67	-61.61
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1CCC1	REAL300012539438	1	55	0.0	-75.32	419.39	11.00	-64.32
CCCN(C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(CC)C(=O)[O-]	REAL300012539439	1	57	0.0	-83.11	433.40	11.63	-71.48
CC(C)C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539440	1	51	0.0	-84.70	398.63	8.50	-76.20
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539441	1	52	0.0	-91.21	396.95	11.23	-79.98
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539442	1	50	0.0	-87.28	396.83	11.01	-76.27
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CCCCC1	REAL300012539443	1	55	0.0	-87.35	416.70	10.30	-77.05
O=C([O-])C1CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539444	1	49	0.0	-90.07	386.85	9.61	-80.46
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CCCC1	REAL300012539445	1	52	0.0	-87.28	402.19	9.19	-78.09
O=C([O-])CNC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539446	1	42	0.0	-76.71	344.57	6.25	-70.46
CCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539447	1	48	0.0	-84.76	386.95	8.15	-76.61
CC(C)C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539448	1	51	0.0	-84.70	398.63	8.50	-76.20
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539449	1	45	0.0	-86.56	362.95	8.87	-77.69
CC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539450	1	45	0.0	-77.11	365.36	7.07	-70.04
CCC(C)C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539451	1	54	0.0	-84.02	416.77	9.04	-74.98
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539452	1	45	0.0	-86.56	362.95	8.87	-77.69
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539453	1	52	0.0	-91.21	396.95	11.23	-79.98
CCCC(C)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539454	1	54	0.0	-83.58	412.83	9.21	-74.37
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539455	1	51	0.0	-84.89	394.75	10.18	-74.71
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1CC1	REAL300012539456	1	49	0.0	-83.74	389.84	10.24	-73.50
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539457	1	49	0.0	-72.08	397.93	10.47	-61.61
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539458	1	54	0.0	-72.18	421.27	11.18	-61.00
CC(C)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539459	1	48	0.0	-76.00	377.93	7.47	-68.53
CC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)(C(=O)[O-])C1CC1	REAL300012539460	1	52	0.0	-84.37	400.45	9.16	-75.21
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CCCCC1	REAL300012539461	1	55	0.0	-87.35	416.70	10.30	-77.05
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539462	1	51	0.0	-84.89	394.75	10.18	-74.71
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539463	1	51	0.0	-72.28	406.62	10.67	-61.61
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539464	1	48	0.0	-84.89	385.12	9.92	-74.97
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539465	1	54	0.0	-84.29	416.45	8.98	-75.31
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CCCC1	REAL300012539466	1	52	0.0	-87.28	402.19	9.19	-78.09
CCC(C)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539467	1	51	0.0	-83.40	391.33	8.46	-74.94
C[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539468	1	45	0.0	-79.01	364.84	7.04	-71.97
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539469	1	48	0.0	-84.89	385.12	9.92	-74.97
C[C@@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539470	1	45	0.0	-78.83	365.00	7.02	-71.81
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CC1	REAL300012539471	1	46	0.0	-88.25	371.51	8.27	-79.98
O=C([O-])C1COCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539472	1	50	0.0	-89.30	387.82	8.49	-80.81
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1CC1	REAL300012539473	1	49	0.0	-87.46	393.76	8.53	-78.93
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539474	1	52	0.0	-73.30	416.49	9.09	-64.21
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539475	1	49	0.0	-87.98	388.20	9.60	-78.38
O=C([O-])[C@H]1CCCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539476	1	52	0.0	-91.85	396.73	10.94	-80.91
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539477	1	48	0.0	-83.27	376.85	8.95	-74.32
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539478	1	49	0.0	-90.62	386.52	9.55	-81.07
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CCC1	REAL300012539479	1	49	0.0	-88.05	388.31	8.79	-79.26
C=CCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539480	1	49	0.0	-83.17	399.67	8.56	-74.61
CC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539481	1	52	0.0	-89.25	403.02	10.53	-78.72
O=C([O-])C1CCCCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539482	1	55	0.0	-91.14	409.77	11.60	-79.54
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1CC1	REAL300012539483	1	49	0.0	-87.46	393.76	8.53	-78.93
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539484	1	48	0.0	-84.70	376.79	9.05	-75.65
CCCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539485	1	54	0.0	-84.33	430.19	9.63	-74.70
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539486	1	52	0.0	-89.20	403.02	10.53	-78.67
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1CCCC1	REAL300012539487	1	55	0.0	-71.55	421.45	11.47	-60.08
COCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539488	1	49	0.0	-85.51	398.56	6.32	-79.19
CCCCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539489	1	57	0.0	-84.63	451.44	10.48	-74.15
CN(C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1(C(=O)[O-])CCCC1	REAL300012539490	1	55	0.0	-89.49	412.64	10.90	-78.59
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1CC1	REAL300012539491	1	52	0.0	-71.90	403.28	10.53	-61.37
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1CC1	REAL300012539492	1	55	0.0	-71.07	424.71	11.73	-59.34
COCC(C)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539493	1	52	0.0	-87.83	409.57	7.74	-80.09
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539494	1	55	0.0	-86.00	428.60	9.55	-76.45
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539495	1	54	0.0	-72.18	421.27	11.18	-61.00
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1CC1	REAL300012539496	1	49	0.0	-83.74	389.84	10.24	-73.50
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CCOC1	REAL300012539497	1	50	0.0	-86.94	392.48	6.54	-80.40
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CCOCC1	REAL300012539498	1	53	0.0	-86.80	408.12	7.80	-79.00
C=CCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539499	1	52	0.0	-84.51	421.26	9.48	-75.03
O=C([O-])C(CF)NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539500	1	45	0.0	-74.52	368.98	7.08	-67.44
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539501	1	48	0.0	-84.70	376.79	9.05	-75.65
CCC(CC)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539502	1	54	0.0	-84.38	407.71	9.35	-75.03
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539503	1	54	0.0	-71.59	415.84	11.24	-60.35
CCC(COC)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539504	1	55	0.0	-89.07	426.01	8.65	-80.42
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539505	1	52	0.0	-83.61	417.96	9.66	-73.95
COCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539506	1	52	0.0	-85.11	420.62	7.21	-77.90
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539507	1	57	0.0	-86.51	436.07	11.47	-75.04
O=C([O-])C(CC(F)F)NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539508	1	48	0.0	-83.95	399.54	8.37	-75.58
CCCN(C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(C)C(=O)[O-]	REAL300012539509	1	54	0.0	-65.96	417.40	11.51	-54.45
O=C([O-])C(CCF)NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539510	1	48	0.0	-83.75	393.54	8.29	-75.46
CC(CCF)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539511	1	51	0.0	-80.62	397.92	8.60	-72.02
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539512	1	48	0.0	-84.65	376.93	9.11	-75.54
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539513	1	50	0.0	-95.36	394.37	10.58	-84.78
CC(C)(C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539514	1	54	0.0	-87.94	416.02	9.17	-78.77
C=C(C)CC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539515	1	52	0.0	-85.61	417.94	9.55	-76.06
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539516	1	53	0.0	-100.93	407.70	11.36	-89.57
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539517	1	49	0.0	-88.09	393.35	9.68	-78.41
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)C1	REAL300012539518	1	50	0.0	-91.30	401.18	9.97	-81.33
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539519	1	54	0.0	-88.64	425.49	9.37	-79.27
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539520	1	52	0.0	-83.61	417.96	9.66	-73.95
CSCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539521	1	49	0.0	-82.00	410.66	8.50	-73.50
COC[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539522	1	49	0.0	-89.21	398.20	6.27	-82.94
CC[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539523	1	48	0.0	-88.33	386.83	8.04	-80.29
CCC(C)CC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539524	1	57	0.0	-85.04	443.88	10.11	-74.93
C=CCCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539525	1	55	0.0	-83.19	442.16	10.22	-72.97
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539526	1	50	0.0	-87.28	396.83	11.01	-76.27
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539527	1	49	0.0	-87.98	388.20	9.60	-78.38
CCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539528	1	51	0.0	-84.76	408.44	8.92	-75.84
CC(C)[C@@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539529	1	51	0.0	-87.49	403.87	8.61	-78.88
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539530	1	53	0.0	-97.83	407.49	11.57	-86.26
CCN(C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012539531	1	54	0.0	-86.57	411.86	10.84	-75.73
CCCN(C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(C)C(=O)[O-]	REAL300012539532	1	54	0.0	-65.96	417.40	11.51	-54.45
CN(C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012539533	1	51	0.0	-86.76	392.35	9.99	-76.77
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539534	1	49	0.0	-90.62	386.52	9.55	-81.07
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539535	1	50	0.0	-97.57	399.07	6.13	-91.44
CCC[C@@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539536	1	51	0.0	-87.04	408.33	8.80	-78.24
C=CCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539537	1	52	0.0	-84.51	421.26	9.48	-75.03
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539538	1	52	0.0	-93.52	402.68	10.49	-83.03
CC(C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539539	1	51	0.0	-83.26	401.05	8.59	-74.67
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539540	1	48	0.0	-84.65	376.93	9.11	-75.54
CCC[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539541	1	51	0.0	-87.57	407.50	8.82	-78.75
CCN(C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(C)C(=O)[O-]	REAL300012539542	1	51	0.0	-82.52	396.15	10.02	-72.50
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1CCCC1	REAL300012539543	1	55	0.0	-71.55	421.45	11.47	-60.08
CC(CN(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539544	1	51	0.0	-91.88	399.12	9.80	-82.08
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539545	1	54	0.0	-84.29	416.45	8.98	-75.31
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539546	1	51	0.0	-82.94	397.29	10.03	-72.91
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CC(CO)C1	REAL300012539547	1	53	0.0	-88.09	420.58	6.07	-82.02
CC1CCC(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)(C(=O)[O-])C1	REAL300012539548	1	55	0.0	-90.27	422.91	9.76	-80.51
COCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539549	1	52	0.0	-85.11	420.62	7.21	-77.90
CC1(C)CC(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)(C(=O)[O-])C1	REAL300012539550	1	55	0.0	-85.32	424.49	10.44	-74.88
CC1(C(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)C(=O)[O-])CC1	REAL300012539551	1	52	0.0	-89.58	410.44	9.40	-80.18
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539552	1	50	0.0	-95.75	396.69	6.49	-89.26
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1CCOC1	REAL300012539553	1	53	0.0	-84.33	414.42	7.03	-77.30
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539554	1	53	0.0	-96.05	407.65	11.13	-84.92
O=C([O-])C12COC(CN1C(=O)NC1CC[NH+](CC3=CC=C(F)C(F)=C3)CC1)C2	REAL300012539555	1	51	0.0	-94.21	399.75	8.84	-85.37
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)C1	REAL300012539556	1	55	0.0	-92.66	417.82	11.83	-80.83
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1CCC1	REAL300012539557	1	52	0.0	-87.30	406.50	9.00	-78.30
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1CCC1	REAL300012539558	1	52	0.0	-87.30	406.50	9.00	-78.30
CC1CCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)C1C(=O)[O-]	REAL300012539559	1	52	0.0	-87.45	401.86	10.11	-77.34
C=CCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539560	1	49	0.0	-83.17	399.67	8.56	-74.61
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539561	1	53	0.0	-69.56	408.67	11.02	-58.54
COC1CC(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)(C(=O)[O-])C1	REAL300012539562	1	53	0.0	-91.15	421.37	7.70	-83.45
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)(C(=O)[O-])C1	REAL300012539563	1	53	0.0	-86.42	420.14	7.98	-78.44
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539564	1	55	0.0	-94.94	415.98	11.73	-83.21
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)COC1	REAL300012539565	1	47	0.0	-79.56	378.88	5.77	-73.79
CC(C)C(C)(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539566	1	54	0.0	-84.24	408.06	9.15	-75.09
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539567	1	50	0.0	-96.50	393.15	11.15	-85.35
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539568	1	53	0.0	-95.82	409.13	10.59	-85.23
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539569	1	54	0.0	-82.86	412.23	10.98	-71.88
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539570	1	49	0.0	-88.09	393.35	9.68	-78.41
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539571	1	51	0.0	-69.06	401.95	10.83	-58.23
CC1(C)CCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)C1C(=O)[O-]	REAL300012539572	1	55	0.0	-92.00	422.08	10.65	-81.35
CC(C)CCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539573	1	57	0.0	-85.31	447.75	10.15	-75.16
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CCC2CC21	REAL300012539574	1	53	0.0	-88.57	409.68	10.02	-78.55
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1CCCC1	REAL300012539575	1	55	0.0	-86.61	430.61	9.80	-76.81
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539576	1	52	0.0	-85.71	416.74	7.34	-78.37
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539577	1	52	0.0	-86.34	401.39	9.32	-77.02
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)C1	REAL300012539578	1	55	0.0	-69.30	425.77	10.79	-58.51
COCCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539579	1	55	0.0	-83.02	441.53	7.94	-75.08
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539580	1	54	0.0	-85.26	418.72	10.96	-74.30
CCOCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539581	1	52	0.0	-86.87	420.77	7.35	-79.52
CC(C)(C)CC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539582	1	57	0.0	-85.71	438.02	10.49	-75.22
C[C@H]1OCCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)[C@@H]1C(=O)[O-]	REAL300012539583	1	53	0.0	-91.16	408.56	9.58	-81.58
N#CCCC(NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300012539584	1	49	0.0	-86.51	408.04	8.59	-77.92
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300012539585	1	48	0.0	-83.27	376.85	8.95	-74.32
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC2)CC1	REAL300012539627	0	50	0.0	-62.63	379.51	6.46	-56.17
C=CCOCC(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539692	0	49	0.0	-67.55	383.16	5.60	-61.95
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C[NH+]1CCCC1	REAL300012539693	0	52	0.0	-73.62	381.52	5.61	-68.01
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C[NH+]1CCCC1	REAL300012539694	0	48	0.0	-67.73	384.71	8.08	-59.65
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C[NH+]1CCCC1	REAL300012539695	0	48	0.0	-67.63	394.60	8.53	-59.10
COC1CCN(C(=O)NCC(C)C[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012539696	0	52	0.0	-82.40	379.96	7.82	-74.58
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C[NH+]1CCCC1	REAL300012539697	0	52	0.0	-68.30	380.92	5.72	-62.58
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])C[NH+]1CCCC1	REAL300012539698	0	51	0.0	-76.04	367.87	9.70	-66.34
CC1=CC(C(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])=CC=C1F	REAL300012539699	0	51	0.0	-68.02	400.11	8.74	-59.28
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C[NH+]1CCCC1	REAL300012539700	0	53	0.0	-73.57	407.94	7.80	-65.77
CC1=CC(C)=CC(C(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012539701	0	54	0.0	-71.45	415.79	9.30	-62.15
CC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])C=C1C	REAL300012539702	0	54	0.0	-75.09	411.03	9.14	-65.95
COC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])C=C1Cl	REAL300012539703	0	52	0.0	-70.94	417.53	7.82	-63.12
CC1=CC=CC(C(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])=C1C	REAL300012539704	0	54	0.0	-73.45	401.68	8.95	-64.50
COC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])C=C1F	REAL300012539705	0	52	0.0	-71.22	407.73	7.33	-63.89
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)C[NH+]1CCCC1	REAL300012539706	0	51	0.0	-58.14	368.17	8.68	-49.46
CCCN(C(=O)NCC(C)C[NH+]1CCCC1)C(COC)C(=O)[O-]	REAL300012539707	0	54	0.0	-72.52	399.40	9.39	-63.13
CCCN(C(=O)NCC(C)C[NH+]1CCCC1)C(CC)C(=O)[O-]	REAL300012539708	0	53	0.0	-71.30	384.81	10.02	-61.28
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C[NH+]1CCCC1	REAL300012539709	0	48	0.0	-64.23	389.29	8.44	-55.79
CC(CNC(=O)N1CCSCC1C(=O)[O-])C[NH+]1CCCC1	REAL300012539710	0	46	0.0	-79.79	347.70	8.92	-70.87
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)C[NH+]1CCCC1	REAL300012539711	0	51	0.0	-76.84	367.30	8.11	-68.73
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C[NH+]1CCCC1	REAL300012539712	0	54	0.0	-77.48	372.96	8.78	-68.70
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539713	0	51	0.0	-71.48	395.46	8.83	-62.65
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C[NH+]1CCCC1	REAL300012539714	0	51	0.0	-55.01	393.95	10.63	-44.38
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCC1	REAL300012539715	0	48	0.0	-71.01	373.21	7.89	-63.12
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCC1	REAL300012539716	0	48	0.0	-67.65	372.56	7.92	-59.73
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539717	0	51	0.0	-71.48	395.46	8.83	-62.65
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C[NH+]1CCCC1	REAL300012539718	0	52	0.0	-75.75	384.53	10.91	-64.84
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C[NH+]1CCCC1	REAL300012539719	0	45	0.0	-66.75	365.02	7.12	-59.63
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)C[NH+]1CCCC1	REAL300012539720	0	51	0.0	-76.84	367.30	8.11	-68.73
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C[NH+]1CCCC1	REAL300012539721	0	51	0.0	-52.90	410.68	11.15	-41.75
CC(CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C[NH+]1CCCC1	REAL300012539722	0	55	0.0	-68.47	423.66	8.94	-59.53
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCC(C)C[NH+]2CCCC2)=C1	REAL300012539723	0	59	0.0	-63.51	452.51	9.21	-54.30
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C[NH+]1CCCC1	REAL300012539724	0	48	0.0	-64.11	393.86	8.55	-55.56
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C[NH+]1CCCC1	REAL300012539725	0	51	0.0	-53.13	400.36	10.69	-42.44
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C[NH+]1CCCC1	REAL300012539726	0	52	0.0	-75.82	391.91	9.15	-66.67
CC(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C[NH+]1CCCC1	REAL300012539727	0	48	0.0	-68.87	384.57	8.07	-60.80
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCC1	REAL300012539728	0	51	0.0	-67.73	380.65	8.73	-59.00
CCCCCCC(C)(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539729	0	59	0.0	-65.52	427.16	9.29	-56.23
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539730	0	54	0.0	-70.11	404.53	10.85	-59.26
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C[NH+]1CCCC1	REAL300012539731	0	48	0.0	-64.23	389.29	8.44	-55.79
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)C[NH+]1CCCC1	REAL300012539732	0	54	0.0	-77.37	376.57	9.42	-67.95
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C[NH+]1CCCC1	REAL300012539733	0	54	0.0	-55.75	416.37	11.40	-44.35
CC(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCC1	REAL300012539734	0	51	0.0	-67.23	383.91	9.82	-57.41
COCCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCCC1	REAL300012539735	0	48	0.0	-55.76	366.34	6.80	-48.96
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C[NH+]1CCCC1	REAL300012539736	0	52	0.0	-75.03	388.65	9.08	-65.95
CC(CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C[NH+]1CCCC1	REAL300012539737	0	55	0.0	-74.53	429.55	8.91	-65.62
CC(CNC(=O)N1CCCCCC1C(=O)[O-])C[NH+]1CCCC1	REAL300012539738	0	51	0.0	-79.50	360.76	9.33	-70.17
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C[NH+]1CCCC1	REAL300012539739	0	54	0.0	-55.75	416.37	11.40	-44.35
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)C[NH+]1CCCC1	REAL300012539740	0	51	0.0	-54.49	371.74	9.27	-45.22
CCCCCC(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539741	0	53	0.0	-66.50	401.53	8.15	-58.35
CCC1CCC(NC(=O)NCC(C)C[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012539742	0	57	0.0	-69.41	406.04	9.35	-60.06
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C[NH+]1CCCC1	REAL300012539743	0	52	0.0	-54.89	380.25	7.60	-47.29
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)C[NH+]1CCCC1	REAL300012539744	0	51	0.0	-78.22	363.24	8.70	-69.52
CCC(C(=O)[O-])N(C(=O)NCC(C)C[NH+]1CCCC1)C1CC1	REAL300012539745	0	51	0.0	-71.54	369.71	9.45	-62.09
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C[NH+]1CCCC1	REAL300012539746	0	48	0.0	-69.99	386.44	8.38	-61.61
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C[NH+]1CCCC1	REAL300012539747	0	48	0.0	-73.09	377.92	8.06	-65.03
CC(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C[NH+]1CCCC1	REAL300012539748	0	52	0.0	-63.14	388.87	10.40	-52.74
CC(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C[NH+]1CCCC1	REAL300012539749	0	51	0.0	-70.99	410.17	9.08	-61.91
CC(CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C[NH+]1CCCC1	REAL300012539750	0	57	0.0	-75.59	439.22	10.90	-64.69
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539751	0	57	0.0	-67.31	417.55	9.15	-58.16
CC(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)C[NH+]1CCCC1	REAL300012539752	0	54	0.0	-54.91	407.54	11.10	-43.81
CC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012539753	0	51	0.0	-71.12	394.79	8.72	-62.40
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C[NH+]1CCCC1	REAL300012539754	0	44	0.0	-60.93	352.13	6.54	-54.39
CC(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C[NH+]1CCCC1	REAL300012539755	0	54	0.0	-75.88	418.74	10.14	-65.74
CC(CNC(=O)NC1(C(=O)[O-])CCSCC1)C[NH+]1CCCC1	REAL300012539756	0	49	0.0	-72.27	364.29	7.75	-64.52
COCC(C)(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539757	0	48	0.0	-69.60	359.41	5.48	-64.12
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCCC1	REAL300012539758	0	51	0.0	-65.99	378.48	7.25	-58.74
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCCC1	REAL300012539759	0	57	0.0	-54.76	418.11	11.85	-42.91
CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C[NH+]1CCCC1	REAL300012539760	0	47	0.0	-54.54	374.59	8.76	-45.78
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C[NH+]1CCCC1	REAL300012539761	0	54	0.0	-72.07	390.76	8.03	-64.04
CC(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539762	0	55	0.0	-66.65	405.84	8.75	-57.90
CC(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C[NH+]1CCCC1	REAL300012539763	0	55	0.0	-75.32	411.35	12.07	-63.25
CC(CNC(=O)NC1(C(=O)[O-])CCOCC1)C[NH+]1CCCC1	REAL300012539764	0	49	0.0	-74.89	358.73	5.61	-69.28
CC(CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])C[NH+]1CCCC1	REAL300012539765	0	54	0.0	-49.15	404.90	11.66	-37.49
COC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012539766	0	52	0.0	-67.47	402.06	7.22	-60.25
CCC(COC)(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539767	0	51	0.0	-70.65	376.09	6.39	-64.26
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCCC1	REAL300012539768	0	54	0.0	-65.85	398.96	8.10	-57.75
CC(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C[NH+]1CCCC1	REAL300012539769	0	51	0.0	-77.21	383.14	4.05	-73.16
COCCC(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539770	0	48	0.0	-66.93	370.71	4.88	-62.05
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCCC1	REAL300012539771	0	53	0.0	-65.03	385.31	9.15	-55.88
CC(CNC(=O)NC(CC(F)F)C(=O)[O-])C[NH+]1CCCC1	REAL300012539772	0	44	0.0	-66.25	349.38	6.11	-60.14
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)C[NH+]1CCCC1	REAL300012539773	0	54	0.0	-78.18	388.09	10.27	-67.91
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C[NH+]1CCCC1	REAL300012539774	0	54	0.0	-70.82	405.09	11.38	-59.44
CCC(NC(=O)NCC(C)C[NH+]1CCCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012539775	0	54	0.0	-65.17	414.62	10.07	-55.10
CCC(NC(=O)NCC(C)C[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012539776	0	54	0.0	-71.69	397.97	9.57	-62.12
COC1CCCC(C(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])C1	REAL300012539777	0	58	0.0	-75.80	423.22	7.03	-68.77
COC1(CC(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012539778	0	55	0.0	-71.88	406.53	7.29	-64.59
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C[NH+]1CCCC1	REAL300012539779	0	52	0.0	-54.89	380.25	7.60	-47.29
CC(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C[NH+]1CCCC1	REAL300012539780	0	54	0.0	-54.32	388.68	9.90	-44.42
CC(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)C[NH+]1CCCC1	REAL300012539781	0	54	0.0	-73.70	380.27	8.43	-65.27
COC1=CC=CC(C(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012539782	0	52	0.0	-75.89	401.51	7.25	-68.64
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)C[NH+]1CCCC1	REAL300012539783	0	48	0.0	-68.63	388.64	8.48	-60.15
CC(CNC(=O)NC(C)(CCF)C(=O)[O-])C[NH+]1CCCC1	REAL300012539784	0	47	0.0	-62.48	347.76	6.33	-56.15
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C[NH+]1CCCC1	REAL300012539785	0	49	0.0	-63.66	370.70	8.45	-55.21
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C[NH+]1CCCC1	REAL300012539786	0	45	0.0	-72.94	350.30	7.65	-65.29
COC1=CC=CC([C@H](NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012539787	0	52	0.0	-70.60	402.70	7.18	-63.42
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCCC2)C1	REAL300012539788	0	54	0.0	-74.55	401.65	9.66	-64.89
COC1=CC=CC(CC(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012539789	0	55	0.0	-71.24	425.11	8.26	-62.98
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C[NH+]1CCCC1	REAL300012539790	0	57	0.0	-78.09	395.22	8.98	-69.11
CC(CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539791	0	54	0.0	-68.94	415.76	9.61	-59.33
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C[NH+]1CCCC1	REAL300012539792	0	53	0.0	-77.91	408.78	9.31	-68.60
COC1CN(C(=O)NCC(C)C[NH+]2CCCC2)C(C)(C(=O)[O-])C1	REAL300012539793	0	52	0.0	-71.98	385.70	7.31	-64.67
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539794	0	55	0.0	-69.22	404.63	7.40	-61.82
C=C(Cl)CC(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539795	0	45	0.0	-66.35	365.47	6.90	-59.45
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C[NH+]1CCCC1	REAL300012539796	0	49	0.0	-79.54	357.24	9.21	-70.33
CC(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539797	0	54	0.0	-69.56	405.44	9.15	-60.41
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C[NH+]1CCCC1	REAL300012539798	0	45	0.0	-72.12	350.29	7.69	-64.43
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C[NH+]1CCCC1	REAL300012539799	0	45	0.0	-77.07	342.25	7.85	-69.22
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539800	0	55	0.0	-70.48	404.29	7.29	-63.19
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C[NH+]1CCCC1	REAL300012539801	0	52	0.0	-73.62	381.52	5.61	-68.01
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCC1	REAL300012539802	0	48	0.0	-67.65	372.56	7.92	-59.73
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C[NH+]1CCCC1	REAL300012539803	0	51	0.0	-67.84	412.34	8.96	-58.88
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539804	0	47	0.0	-65.76	382.00	6.00	-59.76
CC(C)CCCC(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539805	0	56	0.0	-65.72	418.26	8.68	-57.04
CC(CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539806	0	54	0.0	-67.31	425.76	9.30	-58.01
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539807	0	52	0.0	-73.91	393.22	6.20	-67.71
CSCC(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539808	0	45	0.0	-64.57	360.50	6.23	-58.34
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539809	0	51	0.0	-66.22	402.07	9.03	-57.19
CCC(C)CC(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539810	0	53	0.0	-66.07	393.13	7.79	-58.28
C=CCCCC(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539811	0	51	0.0	-65.38	392.01	7.94	-57.44
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539812	0	51	0.0	-66.25	401.81	8.90	-57.35
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C[NH+]1CCCC1	REAL300012539813	0	54	0.0	-74.56	413.72	10.08	-64.48
CC(CNC(=O)N1CCSCC1C(=O)[O-])C[NH+]1CCCC1	REAL300012539814	0	46	0.0	-79.79	347.70	8.92	-70.87
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCC1	REAL300012539815	0	51	0.0	-67.73	380.65	8.73	-59.00
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C[NH+]1CCCC1	REAL300012539816	0	49	0.0	-84.29	357.80	9.40	-74.89
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C[NH+]1CCCC1	REAL300012539817	0	44	0.0	-64.93	349.57	8.13	-56.80
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C[NH+]1CCCC1	REAL300012539818	0	44	0.0	-64.93	349.57	8.13	-56.80
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C[NH+]1CCCC1	REAL300012539819	0	57	0.0	-55.53	423.30	6.10	-49.43
CC(CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])C[NH+]1CCCC1	REAL300012539820	1	61	0.0	-55.36	443.71	5.83	-49.53
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)C[NH+]1CCCC1	REAL300012539821	0	52	0.0	-58.03	392.26	10.69	-47.34
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])C[NH+]1CCCC1	REAL300012539822	0	55	0.0	-62.91	400.43	10.90	-52.01
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C[NH+]1CCCC1	REAL300012539823	0	53	0.0	-68.05	392.12	9.06	-58.99
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCC1	REAL300012539824	0	48	0.0	-71.01	373.21	7.89	-63.12
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C[NH+]1CCCC1	REAL300012539825	0	51	0.0	-67.34	412.37	8.97	-58.37
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539826	0	53	0.0	-71.58	413.07	7.91	-63.67
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539827	0	47	0.0	-72.44	381.74	5.90	-66.54
CC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C[NH+]1CCCC1	REAL300012539828	0	48	0.0	-67.07	401.93	7.71	-59.36
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C[NH+]1CCCC1	REAL300012539829	0	48	0.0	-88.04	367.05	5.35	-82.69
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C[NH+]1CCCC1	REAL300012539830	0	49	0.0	-73.54	364.81	7.06	-66.48
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCC1	REAL300012539831	0	48	0.0	-67.65	372.56	7.92	-59.73
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539832	0	51	0.0	-69.61	383.07	7.29	-62.32
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)C[NH+]1CCCC1	REAL300012539833	0	51	0.0	-54.49	371.74	9.27	-45.22
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C[NH+]1CCCC1	REAL300012539834	0	49	0.0	-81.33	369.46	3.79	-77.54
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C[NH+]1CCCC1	REAL300012539835	0	57	0.0	-67.16	416.36	7.02	-60.14
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)C[NH+]1CCCC1	REAL300012539836	0	51	0.0	-76.92	373.86	7.63	-69.29
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C[NH+]1CCCC1	REAL300012539837	0	54	0.0	-70.40	381.40	8.24	-62.16
COCCC(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539838	0	48	0.0	-66.93	370.71	4.88	-62.05
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539839	0	54	0.0	-70.11	404.53	10.85	-59.26
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C[NH+]1CCCC1	REAL300012539840	0	51	0.0	-78.16	375.34	8.32	-69.84
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)C[NH+]1CCCC1	REAL300012539841	0	58	0.0	-79.67	421.42	10.31	-69.36
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C[NH+]1CCCC1	REAL300012539842	0	57	0.0	-68.38	421.59	7.14	-61.24
CC(CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C[NH+]1CCCC1	REAL300012539843	0	56	0.0	-62.96	416.13	11.53	-51.43
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)C[NH+]1CCCC1	REAL300012539844	0	49	0.0	-67.31	364.24	4.93	-62.38
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C[NH+]1CCCC1	REAL300012539845	0	49	0.0	-83.32	357.94	8.88	-74.44
CC(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C[NH+]1CCCC1	REAL300012539846	0	52	0.0	-82.64	404.55	8.01	-74.63
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C[NH+]1CCCC1	REAL300012539847	0	47	0.0	-79.95	351.17	6.63	-73.32
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])C[NH+]1CCCC1	REAL300012539848	0	51	0.0	-81.84	368.72	9.66	-72.18
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)C[NH+]1CCCC1	REAL300012539849	0	54	0.0	-69.62	410.30	9.20	-60.42
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539850	0	55	0.0	-69.65	405.01	9.69	-59.96
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C[NH+]1CCCC1	REAL300012539851	0	61	0.0	-72.27	430.43	8.59	-63.68
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C[NH+]1CCCC1	REAL300012539852	0	54	0.0	-72.07	390.76	8.03	-64.04
CC(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539853	0	55	0.0	-66.34	409.46	7.69	-58.65
CC(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C[NH+]1CCCC1	REAL300012539854	0	55	0.0	-53.81	382.85	9.58	-44.23
CC(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C[NH+]1CCCC1	REAL300012539855	0	55	0.0	-77.05	387.83	6.91	-70.14
CC(CNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C[NH+]1CCCC1	REAL300012539856	0	54	0.0	-71.60	433.41	10.16	-61.44
CC1=CC=CC2=C1CCN(C(=O)NCC(C)C[NH+]1CCCC1)C2C(=O)[O-]	REAL300012539857	0	55	0.0	-63.83	406.30	10.93	-52.90
CC(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C[NH+]1CCCC1	REAL300012539858	0	49	0.0	-57.94	359.41	8.82	-49.12
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539859	0	55	0.0	-69.65	405.01	9.69	-59.96
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539860	0	51	0.0	-72.71	401.88	8.90	-63.81
COC1CC(NC(=O)NCC(C)C[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012539861	0	49	0.0	-72.65	370.52	5.48	-67.17
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C[NH+]1CCCC1	REAL300012539862	0	45	0.0	-75.09	346.63	6.58	-68.51
CO[C@H]1C[C@](NC(=O)NCC(C)C[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012539863	0	49	0.0	-75.56	370.15	5.82	-69.74
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C[NH+]1CCCC1	REAL300012539864	0	48	0.0	-65.08	376.24	7.46	-57.62
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)C[NH+]1CCCC1	REAL300012539865	0	51	0.0	-72.44	369.02	9.51	-62.93
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C[NH+]1CCCC1	REAL300012539866	0	44	0.0	-60.93	352.13	6.54	-54.39
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539867	0	52	0.0	-64.29	385.91	5.58	-58.71
CC(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539868	0	48	0.0	-67.69	387.33	7.89	-59.80
COCC(NC(=O)NCC(C)C[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012539869	0	55	0.0	-69.94	414.17	7.89	-62.05
CC(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C[NH+]1CCCC1	REAL300012539870	0	49	0.0	-74.71	359.89	8.31	-66.40
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C[NH+]1CCCC1	REAL300012539871	0	54	0.0	-70.82	405.09	11.38	-59.44
CC(CNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539872	0	55	0.0	-74.24	435.08	8.48	-65.76
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539873	0	57	0.0	-67.31	417.55	9.15	-58.16
CC(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539874	0	54	0.0	-66.96	417.60	9.62	-57.34
CC(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539875	0	54	0.0	-70.91	418.44	9.61	-61.30
CC(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C[NH+]1CCCC1	REAL300012539876	0	55	0.0	-69.60	399.76	8.54	-61.06
CC(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539877	0	57	0.0	-67.34	417.56	9.15	-58.19
CC(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539878	0	57	0.0	-70.72	417.55	9.15	-61.57
CC(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C[NH+]1CCCC1	REAL300012539879	0	55	0.0	-57.30	398.41	9.77	-47.53
CC(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C[NH+]1CCCC1	REAL300012539880	0	55	0.0	-77.68	395.23	9.68	-68.00
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)C[NH+]1CCCC1	REAL300012539881	0	55	0.0	-72.21	437.53	8.43	-63.78
COC1=CC=C(CC(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012539882	0	55	0.0	-71.14	425.33	8.21	-62.93
C=CCSCC(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539883	0	49	0.0	-63.65	394.10	7.72	-55.93
CC(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539884	0	52	0.0	-66.45	415.38	9.25	-57.20
CC(CNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C[NH+]1CCCC1	REAL300012539885	0	55	0.0	-84.25	435.09	8.82	-75.43
COC1(C(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012539886	0	52	0.0	-67.26	384.39	5.53	-61.73
CC(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C[NH+]1CCCC1	REAL300012539887	0	54	0.0	-70.23	399.38	8.93	-61.30
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C[NH+]1CCCC1	REAL300012539888	0	55	0.0	-76.47	405.23	10.03	-66.44
CC(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C[NH+]1CCCC1	REAL300012539889	0	48	0.0	-72.11	372.87	7.50	-64.61
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C[NH+]1CCCC1	REAL300012539891	0	60	0.0	-70.28	449.17	10.30	-59.98
CC(C)C1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012539892	0	57	0.0	-70.72	433.61	9.97	-60.75
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C[NH+]1CCCC1	REAL300012539893	0	45	0.0	-77.07	342.25	7.85	-69.22
CC(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C[NH+]1CCCC1	REAL300012539894	0	47	0.0	-57.72	351.91	8.58	-49.14
CC(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C[NH+]1CCCC1	REAL300012539895	0	51	0.0	-76.96	371.93	8.37	-68.59
CCOC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012539896	0	55	0.0	-68.56	424.97	8.18	-60.38
CC(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C[NH+]1CCCC1	REAL300012539897	0	55	0.0	-81.58	393.07	10.47	-71.11
CC(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C[NH+]1CCCC1	REAL300012539898	0	55	0.0	-71.38	413.31	10.42	-60.96
CC(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539899	0	55	0.0	-74.96	415.62	8.93	-66.03
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C[NH+]1CCCC1	REAL300012539900	0	51	0.0	-69.65	408.58	8.84	-60.81
CC(C)CCC(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539901	0	53	0.0	-66.74	397.60	7.88	-58.86
CC(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C[NH+]1CCCC1	REAL300012539902	0	52	0.0	-57.52	383.43	9.28	-48.24
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539903	0	52	0.0	-64.29	385.91	5.58	-58.71
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCCC2)C1	REAL300012539904	0	49	0.0	-77.28	379.04	8.92	-68.36
CC(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C[NH+]1CCCC1	REAL300012539905	0	52	0.0	-69.26	375.54	8.48	-60.78
CC(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C[NH+]1CCCC1	REAL300012539906	0	49	0.0	-70.58	359.52	7.77	-62.81
CC(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C[NH+]1CCCC1	REAL300012539907	0	52	0.0	-76.56	380.23	8.19	-68.37
CC(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539908	0	54	0.0	-69.91	404.02	10.75	-59.16
CC(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C[NH+]1CCCC1	REAL300012539909	0	58	0.0	-55.56	411.77	10.21	-45.35
CC(CNC(=O)NC(C(=O)[O-])C1CCCC1)C[NH+]1CCCC1	REAL300012539910	0	51	0.0	-67.77	379.25	7.60	-60.17
CO[C@H](C)[C@H](NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539911	0	48	0.0	-71.35	366.98	5.13	-66.22
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C[NH+]1CCCC1	REAL300012539912	0	51	0.0	-55.01	393.95	10.63	-44.38
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)C[NH+]1CCCC1	REAL300012539913	0	58	0.0	-69.33	447.81	11.37	-57.96
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C[NH+]1CCCC1	REAL300012539914	0	51	0.0	-57.66	376.41	8.59	-49.07
CC(CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C[NH+]1CCCC1	REAL300012539915	0	52	0.0	-59.23	400.88	10.39	-48.84
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C[NH+]1CCCC1	REAL300012539916	0	48	0.0	-79.07	358.75	8.96	-70.11
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C[NH+]1CCCC1	REAL300012539917	0	45	0.0	-74.84	347.46	7.86	-66.98
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539918	0	51	0.0	-72.71	401.88	8.90	-63.81
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539919	0	48	0.0	-67.39	386.73	7.83	-59.56
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C[NH+]1CCCC1	REAL300012539920	0	48	0.0	-65.14	364.97	8.39	-56.75
CC(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C[NH+]1CCCC1	REAL300012539921	0	52	0.0	-77.28	400.98	8.64	-68.64
CC(CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C[NH+]1CCCC1	REAL300012539922	0	56	0.0	-71.06	423.79	10.24	-60.82
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539923	0	48	0.0	-67.39	386.73	7.83	-59.56
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C[NH+]1CCCC1	REAL300012539924	0	52	0.0	-81.85	375.43	8.96	-72.89
COCCCC(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539925	0	51	0.0	-66.33	392.21	5.66	-60.67
CCOCC(NC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300012539926	0	48	0.0	-68.56	370.75	5.04	-63.52
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C[NH+]1CCCC1	REAL300012539927	0	53	0.0	-70.39	386.94	8.28	-62.11
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C[NH+]1CCCC1	REAL300012539928	0	52	0.0	-73.60	388.70	6.45	-67.15
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)C[NH+]1CCCC1	REAL300012539929	0	48	0.0	-72.74	393.91	8.55	-64.19
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C[NH+]1CCCC1	REAL300012539930	0	52	0.0	-75.82	391.91	9.15	-66.67
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C[NH+]1CCCC1	REAL300012539931	0	49	0.0	-74.37	358.70	7.28	-67.09
CC(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C[NH+]1CCCC1	REAL300012539932	0	51	0.0	-73.81	378.03	8.70	-65.11
CC(CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C[NH+]1CCCC1	REAL300012539933	0	62	0.0	-75.26	430.03	10.01	-65.25
CC(CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C[NH+]1CCCC1	REAL300012539934	0	54	0.0	-71.29	425.56	9.21	-62.08
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C[NH+]1CCCC1	REAL300012539935	0	48	0.0	-60.26	375.07	8.80	-51.46
CC(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C[NH+]1CCCC1	REAL300012539936	0	59	0.0	-80.57	409.79	9.37	-71.20
CC(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C[NH+]1CCCC1	REAL300012539937	0	50	0.0	-70.58	407.47	7.62	-62.96
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCCC2)C1	REAL300012539938	0	52	0.0	-72.73	390.84	7.69	-65.04
CC(C)C[C@H](NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012539939	0	55	0.0	-73.27	408.61	5.39	-67.88
CC(C)C[C@H](NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012539939	1	55	0.0	-76.02	410.52	5.80	-70.22
C=CCOCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012539940	0	54	0.0	-72.84	416.45	3.80	-69.04
C=CCOCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012539940	1	54	0.0	-78.56	419.95	4.24	-74.32
C=CC(C)C(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012539941	0	53	0.0	-69.57	395.41	4.89	-64.68
C=CC(C)C(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012539941	1	53	0.0	-76.00	402.16	5.54	-70.46
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C[NH+]1CCN(C)CC1	REAL300012539942	0	57	0.0	-72.84	417.99	4.12	-68.72
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)CN1CC[NH+](C)CC1	REAL300012539942	1	57	0.0	-72.88	416.88	4.41	-68.47
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C[NH+]1CCN(C)CC1	REAL300012539943	0	53	0.0	-69.59	418.80	6.24	-63.35
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)CN1CC[NH+](C)CC1	REAL300012539943	1	53	0.0	-70.78	421.19	6.77	-64.01
COC1CCN(C(=O)NCC(C)C[NH+]2CCN(C)CC2)C(C(=O)[O-])C1	REAL300012539944	0	57	0.0	-83.02	410.10	6.07	-76.95
COC1CCN(C(=O)NCC(C)CN2CC[NH+](C)CC2)C(C(=O)[O-])C1	REAL300012539944	1	57	0.0	-88.68	412.82	6.51	-82.17
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C[NH+]1CCN(C)CC1	REAL300012539945	0	57	0.0	-72.99	414.39	3.87	-69.12
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)CN1CC[NH+](C)CC1	REAL300012539945	1	57	0.0	-76.56	416.55	4.32	-72.24
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012539946	0	56	0.0	-83.17	400.93	7.86	-75.31
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012539946	1	56	0.0	-87.84	396.32	7.74	-80.10
CC1=CC(C(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])=CC=C1F	REAL300012539947	0	56	0.0	-71.26	432.81	6.82	-64.44
CC1=CC(C(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])=CC=C1F	REAL300012539947	1	56	0.0	-73.18	435.84	7.31	-65.87
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C[NH+]1CCN(C)CC1	REAL300012539948	0	58	0.0	-75.33	441.98	5.97	-69.36
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)CN1CC[NH+](C)CC1	REAL300012539948	1	58	0.0	-71.84	444.78	6.54	-65.30
CC1=CC(C(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])=CC(C)=C1	REAL300012539949	0	59	0.0	-75.64	448.68	7.53	-68.11
CC1=CC(C(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])=CC(C)=C1	REAL300012539949	1	59	0.0	-73.16	451.71	8.02	-65.14
CC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])C=C1C	REAL300012539950	0	59	0.0	-74.97	444.26	7.41	-67.56
CC1=CC=C(C(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])C=C1C	REAL300012539950	1	59	0.0	-77.41	446.91	7.85	-69.56
CC1=CC=CC(C(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])=C1C	REAL300012539951	0	59	0.0	-77.39	440.22	7.14	-70.25
CC1=CC=CC(C(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])=C1C	REAL300012539951	1	59	0.0	-80.52	436.50	7.32	-73.20
COC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])C=C1F	REAL300012539952	0	57	0.0	-75.50	441.80	5.48	-70.02
COC1=CC=C(C(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])C=C1F	REAL300012539952	1	57	0.0	-74.62	444.21	6.02	-68.60
CCCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012539953	0	52	0.0	-60.33	389.27	6.57	-53.76
CCCN(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012539953	1	52	0.0	-63.55	392.08	7.00	-56.55
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)C[NH+]1CCN(C)CC1	REAL300012539954	0	56	0.0	-62.02	402.11	6.95	-55.07
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)CN1CC[NH+](C)CC1	REAL300012539954	1	56	0.0	-64.69	403.99	7.37	-57.32
CCCN(C(=O)NCC(C)C[NH+]1CCN(C)CC1)C(COC)C(=O)[O-]	REAL300012539955	0	59	0.0	-70.79	432.05	7.56	-63.23
CCCN(C(=O)NCC(C)CN1CC[NH+](C)CC1)C(COC)C(=O)[O-]	REAL300012539955	1	59	0.0	-74.53	431.18	6.74	-67.79
CCCN(C(=O)NCC(C)C[NH+]1CCN(C)CC1)C(CC)C(=O)[O-]	REAL300012539956	0	58	0.0	-55.82	412.66	8.25	-47.57
CCCN(C(=O)NCC(C)CN1CC[NH+](C)CC1)C(CC)C(=O)[O-]	REAL300012539956	1	58	0.0	-81.50	425.87	8.78	-72.72
CC(C)C(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012539957	0	52	0.0	-71.64	386.87	4.60	-67.04
CC(C)C(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012539957	1	52	0.0	-78.37	390.37	5.02	-73.35
CC(CNC(=O)N1CCCCC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012539958	0	53	0.0	-82.92	380.01	7.23	-75.69
CC(CNC(=O)N1CCCCC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012539958	1	53	0.0	-88.45	382.73	7.64	-80.81
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C[NH+]1CCN(C)CC1	REAL300012539959	0	53	0.0	-70.97	422.78	6.64	-64.33
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)CN1CC[NH+](C)CC1	REAL300012539959	1	53	0.0	-74.00	424.92	7.04	-66.96
CC(CNC(=O)N1CCSCC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012539960	0	51	0.0	-80.45	379.83	7.08	-73.37
CC(CNC(=O)N1CCSCC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012539960	1	51	0.0	-84.42	382.32	7.37	-77.05
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)C[NH+]1CCN(C)CC1	REAL300012539961	0	56	0.0	-77.31	399.57	6.28	-71.03
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)CN1CC[NH+](C)CC1	REAL300012539961	1	56	0.0	-80.87	399.85	6.45	-74.42
CC(CNC(=O)N1CCCC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012539962	0	50	0.0	-76.27	368.60	5.94	-70.33
CC(CNC(=O)N1CCCC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012539962	1	50	0.0	-82.92	371.40	6.33	-76.59
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)C[NH+]1CCN(C)CC1	REAL300012539963	0	53	0.0	-77.76	384.48	5.14	-72.62
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)CN1CC[NH+](C)CC1	REAL300012539963	1	53	0.0	-81.25	387.08	5.51	-75.74
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C[NH+]1CCN(C)CC1	REAL300012539964	0	59	0.0	-71.13	405.02	6.91	-64.22
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)CN1CC[NH+](C)CC1	REAL300012539964	1	59	0.0	-83.56	407.83	7.31	-76.25
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012539965	0	56	0.0	-69.40	428.01	7.10	-62.30
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012539965	1	56	0.0	-79.98	431.08	7.44	-72.54
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300012539966	0	56	0.0	-59.55	426.84	8.87	-50.68
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300012539966	1	56	0.0	-67.02	429.88	9.35	-57.67
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300012539967	0	53	0.0	-75.26	406.10	6.13	-69.13
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300012539967	1	53	0.0	-79.95	408.83	6.49	-73.46
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300012539968	0	53	0.0	-74.53	406.08	6.13	-68.40
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300012539968	1	53	0.0	-78.36	408.79	6.50	-71.86
CCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012539969	0	49	0.0	-70.56	369.00	4.03	-66.53
CCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012539969	1	49	0.0	-76.09	373.33	4.44	-71.65
CC(C)C(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012539970	0	52	0.0	-71.64	386.87	4.60	-67.04
CC(C)C(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012539970	1	52	0.0	-78.37	390.37	5.02	-73.35
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012539971	0	56	0.0	-69.40	428.01	7.10	-62.30
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012539971	1	56	0.0	-79.98	431.08	7.44	-72.54
CCC(C)C(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012539972	0	55	0.0	-70.78	399.41	4.95	-65.83
CCC(C)C(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012539972	1	55	0.0	-79.04	404.57	5.41	-73.63
CC(CNC(=O)N1CCCCC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012539973	0	53	0.0	-82.92	380.01	7.23	-75.69
CC(CNC(=O)N1CCCCC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012539973	1	53	0.0	-88.45	382.73	7.64	-80.81
CCCC(C)(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012539974	0	55	0.0	-70.13	395.47	5.15	-64.98
CCCC(C)(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012539974	1	55	0.0	-77.17	398.97	5.58	-71.59
CC(C)N(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012539975	0	52	0.0	-61.18	377.60	6.14	-55.04
CC(C)N(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012539975	1	52	0.0	-65.91	381.57	6.51	-59.40
CC(CNC(=O)N(CC(=O)[O-])C1CC1)C[NH+]1CCN(C)CC1	REAL300012539976	0	50	0.0	-60.49	371.11	6.39	-54.10
CC(CNC(=O)N(CC(=O)[O-])C1CC1)CN1CC[NH+](C)CC1	REAL300012539976	1	50	0.0	-64.56	373.77	6.85	-57.71
C=CCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012539977	0	50	0.0	-60.11	380.58	6.38	-53.73
C=CCN(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012539977	1	50	0.0	-66.62	384.07	6.82	-59.80
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012539978	0	55	0.0	-59.73	403.68	6.88	-52.85
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012539978	1	55	0.0	-66.95	407.42	7.53	-59.42
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012539979	0	57	0.0	-82.58	417.62	9.10	-73.48
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012539979	1	57	0.0	-82.55	420.61	9.60	-72.95
CC(CNC(=O)NC(C)(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012539980	0	49	0.0	-61.19	360.58	3.40	-57.79
CC(CNC(=O)NC(C)(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012539980	1	49	0.0	-64.88	363.40	3.81	-61.07
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C[NH+]1CCN(C)CC1	REAL300012539981	0	53	0.0	-75.11	383.56	5.18	-69.93
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)CN1CC[NH+](C)CC1	REAL300012539981	1	53	0.0	-80.62	386.28	5.55	-75.07
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C[NH+]1CCN(C)CC1	REAL300012539982	0	50	0.0	-72.65	397.68	5.21	-67.44
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)CN1CC[NH+](C)CC1	REAL300012539982	1	50	0.0	-77.64	400.21	5.65	-71.99
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)C[NH+]1CCN(C)CC1	REAL300012539983	0	56	0.0	-77.31	399.57	6.28	-71.03
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)CN1CC[NH+](C)CC1	REAL300012539983	1	56	0.0	-80.87	399.85	6.45	-74.42
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C[NH+]1CCN(C)CC1	REAL300012539984	0	56	0.0	-57.25	443.58	9.39	-47.86
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)CN1CC[NH+](C)CC1	REAL300012539984	1	56	0.0	-64.16	443.99	9.57	-54.59
CC(C)N(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012539985	0	52	0.0	-61.18	377.60	6.14	-55.04
CC(C)N(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012539985	1	52	0.0	-65.91	381.57	6.51	-59.40
CCCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012539986	0	52	0.0	-60.33	389.27	6.57	-53.76
CCCN(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012539986	1	52	0.0	-63.55	392.08	7.00	-56.55
CCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012539987	0	49	0.0	-68.01	367.77	5.82	-62.19
CCN(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012539987	1	49	0.0	-75.51	371.26	6.25	-69.26
CC[C@H](C)[C@H](NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012539988	0	55	0.0	-73.83	401.16	5.01	-68.82
CC[C@H](C)[C@H](NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012539988	1	55	0.0	-77.30	403.89	5.39	-71.91
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)C[NH+]1CCN(C)CC1	REAL300012539989	0	53	0.0	-77.76	384.48	5.14	-72.62
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)CN1CC[NH+](C)CC1	REAL300012539989	1	53	0.0	-81.25	387.08	5.51	-75.74
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C[NH+]1CCN(C)CC1	REAL300012539990	0	56	0.0	-57.38	433.25	8.93	-48.45
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)CN1CC[NH+](C)CC1	REAL300012539990	1	56	0.0	-64.28	433.67	9.11	-55.17
CCC(C)(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012539991	0	52	0.0	-69.89	373.96	4.39	-65.50
CCC(C)(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012539991	1	52	0.0	-76.81	377.46	4.82	-71.99
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C[NH+]1CCN(C)CC1	REAL300012539992	0	57	0.0	-75.58	424.18	7.32	-68.26
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)CN1CC[NH+](C)CC1	REAL300012539992	1	57	0.0	-83.09	428.37	7.81	-75.28
CC(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C[NH+]1CCN(C)CC1	REAL300012539993	0	53	0.0	-75.26	416.93	6.29	-68.97
CC(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)CN1CC[NH+](C)CC1	REAL300012539993	1	53	0.0	-79.11	419.42	6.72	-72.39
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300012539994	0	56	0.0	-74.67	413.88	6.90	-67.77
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300012539994	1	56	0.0	-77.48	416.77	7.46	-70.02
CCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012539995	0	49	0.0	-68.01	367.77	5.82	-62.19
CCN(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012539995	1	49	0.0	-75.51	371.26	6.25	-69.26
CCCCCCC(C)(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012539996	0	64	0.0	-70.33	459.96	7.48	-62.85
CCCCCCC(C)(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012539996	1	64	0.0	-77.37	463.46	7.91	-69.46
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012539997	0	59	0.0	-68.06	436.82	8.94	-59.12
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012539997	1	59	0.0	-76.18	439.65	9.37	-66.81
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C[NH+]1CCN(C)CC1	REAL300012539998	0	53	0.0	-70.97	422.78	6.64	-64.33
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)CN1CC[NH+](C)CC1	REAL300012539998	1	53	0.0	-74.00	424.92	7.04	-66.96
CC(CNC(=O)N1CCOCC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012539999	0	51	0.0	-79.51	371.18	4.55	-74.96
CC(CNC(=O)N1CCOCC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012539999	1	51	0.0	-84.66	373.91	4.96	-79.70
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)C[NH+]1CCN(C)CC1	REAL300012540000	0	59	0.0	-79.17	408.83	7.58	-71.59
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)CN1CC[NH+](C)CC1	REAL300012540000	1	59	0.0	-81.88	411.43	7.96	-73.92
CC(CNC(=O)NC(C(=O)[O-])C1CC1)C[NH+]1CCN(C)CC1	REAL300012540001	0	50	0.0	-74.38	374.16	4.53	-69.85
CC(CNC(=O)NC(C(=O)[O-])C1CC1)CN1CC[NH+](C)CC1	REAL300012540001	1	50	0.0	-78.80	376.88	4.90	-73.90
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540002	0	59	0.0	-61.40	449.17	9.60	-51.80
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540002	1	59	0.0	-64.54	451.99	10.02	-54.52
CC(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300012540003	0	56	0.0	-72.94	417.31	7.89	-65.05
CC(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300012540003	1	56	0.0	-75.63	420.14	8.52	-67.11
COCCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012540004	0	53	0.0	-61.14	399.14	5.00	-56.14
COCCN(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012540004	1	53	0.0	-64.28	401.96	5.42	-58.86
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C[NH+]1CCN(C)CC1	REAL300012540005	0	57	0.0	-78.85	421.11	7.25	-71.60
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)CN1CC[NH+](C)CC1	REAL300012540005	1	57	0.0	-84.03	423.50	7.56	-76.47
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540006	0	50	0.0	-73.87	369.35	5.61	-68.26
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540006	1	50	0.0	-85.16	372.17	6.02	-79.14
CC(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540007	0	53	0.0	-76.22	379.01	6.93	-69.29
CC(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540007	1	53	0.0	-87.67	379.89	7.13	-80.54
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540008	0	49	0.0	-69.79	360.95	5.11	-64.68
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540008	1	49	0.0	-72.78	363.68	5.49	-67.29
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540009	0	50	0.0	-80.22	369.54	5.68	-74.54
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540009	1	50	0.0	-84.62	372.01	6.42	-78.20
CC(CNC(=O)NC1(C(=O)[O-])CCC1)C[NH+]1CCN(C)CC1	REAL300012540010	0	50	0.0	-78.30	371.30	4.76	-73.54
CC(CNC(=O)NC1(C(=O)[O-])CCC1)CN1CC[NH+](C)CC1	REAL300012540010	1	50	0.0	-81.96	371.46	4.95	-77.01
C=CCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540011	0	50	0.0	-69.97	382.32	4.48	-65.49
C=CCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540011	1	50	0.0	-75.43	386.37	4.96	-70.47
CC(CNC(=O)N1CCCC1(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540012	0	53	0.0	-79.66	385.81	6.50	-73.16
CC(CNC(=O)N1CCCC1(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540012	1	53	0.0	-81.46	388.79	7.01	-74.45
CC(CNC(=O)N1CCCCCC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540013	0	56	0.0	-79.97	393.01	7.51	-72.46
CC(CNC(=O)N1CCCCCC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540013	1	56	0.0	-81.31	397.57	8.26	-73.05
CC(CNC(=O)NC(C(=O)[O-])C1CC1)C[NH+]1CCN(C)CC1	REAL300012540014	0	50	0.0	-74.38	374.16	4.53	-69.85
CC(CNC(=O)NC(C(=O)[O-])C1CC1)CN1CC[NH+](C)CC1	REAL300012540014	1	50	0.0	-78.80	376.88	4.90	-73.90
CC(CNC(=O)N(C)C(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540015	0	49	0.0	-68.22	359.79	5.01	-63.21
CC(CNC(=O)N(C)C(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540015	1	49	0.0	-73.13	363.42	5.51	-67.62
CCCCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540016	0	55	0.0	-70.50	411.99	5.58	-64.92
CCCCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540016	1	55	0.0	-75.96	416.33	6.00	-69.96
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540017	0	59	0.0	-61.40	449.17	9.60	-51.80
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540017	1	59	0.0	-64.54	451.99	10.02	-54.52
CC(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540018	0	53	0.0	-79.75	385.96	6.51	-73.24
CC(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540018	1	53	0.0	-82.69	388.49	6.88	-75.81
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)C[NH+]1CCN(C)CC1	REAL300012540019	0	56	0.0	-60.30	404.20	7.43	-52.87
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)CN1CC[NH+](C)CC1	REAL300012540019	1	56	0.0	-62.99	406.92	7.81	-55.18
COCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540020	0	50	0.0	-72.30	381.21	2.24	-70.06
COCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540020	1	50	0.0	-77.63	385.19	2.69	-74.94
CCCCCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540021	0	58	0.0	-71.08	434.33	6.34	-64.74
CCCCCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540021	1	58	0.0	-75.58	437.59	6.83	-68.75
CCC1CCC(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)(C(=O)[O-])CC1	REAL300012540022	0	62	0.0	-77.26	438.51	7.51	-69.75
CCC1CCC(NC(=O)NCC(C)CN2CC[NH+](C)CC2)(C(=O)[O-])CC1	REAL300012540022	1	62	0.0	-77.40	432.58	6.97	-70.43
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C[NH+]1CCN(C)CC1	REAL300012540023	0	57	0.0	-60.78	412.62	5.76	-55.02
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)CN1CC[NH+](C)CC1	REAL300012540023	1	57	0.0	-63.49	415.36	6.14	-57.35
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)C[NH+]1CCN(C)CC1	REAL300012540024	0	56	0.0	-76.65	395.28	6.83	-69.82
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)CN1CC[NH+](C)CC1	REAL300012540024	1	56	0.0	-83.08	398.11	7.22	-75.86
CC(CNC(=O)N(C(C)C(=O)[O-])C1CC1)C[NH+]1CCN(C)CC1	REAL300012540025	0	53	0.0	-62.26	386.26	6.56	-55.70
CC(CNC(=O)N(C(C)C(=O)[O-])C1CC1)CN1CC[NH+](C)CC1	REAL300012540025	1	53	0.0	-64.48	388.72	6.86	-57.62
CCC(C(=O)[O-])N(C(=O)NCC(C)C[NH+]1CCN(C)CC1)C1CC1	REAL300012540026	0	56	0.0	-61.12	406.94	7.54	-53.58
CCC(C(=O)[O-])N(C(=O)NCC(C)CN1CC[NH+](C)CC1)C1CC1	REAL300012540026	1	56	0.0	-65.71	409.41	7.98	-57.73
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C[NH+]1CCN(C)CC1	REAL300012540027	0	53	0.0	-76.17	418.04	6.56	-69.61
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)CN1CC[NH+](C)CC1	REAL300012540027	1	53	0.0	-79.26	418.92	6.91	-72.35
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C[NH+]1CCN(C)CC1	REAL300012540028	0	53	0.0	-79.42	410.24	6.28	-73.14
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)CN1CC[NH+](C)CC1	REAL300012540028	1	53	0.0	-83.87	413.23	6.59	-77.28
CC(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540029	0	57	0.0	-63.58	421.00	8.55	-55.03
CC(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540029	1	57	0.0	-69.07	423.73	8.92	-60.15
CC(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540030	0	56	0.0	-71.50	438.61	7.10	-64.40
CC(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540030	1	56	0.0	-80.65	446.85	7.80	-72.85
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540031	0	62	0.0	-73.23	450.05	7.33	-65.90
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540031	1	62	0.0	-78.59	452.79	7.71	-70.88
CC(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300012540032	0	59	0.0	-57.81	438.81	9.44	-48.37
CC(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300012540032	1	59	0.0	-68.47	443.26	9.74	-58.73
CC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])C=C1	REAL300012540033	0	56	0.0	-74.93	427.24	6.88	-68.05
CC1=CC=C(C(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012540033	1	56	0.0	-72.96	430.59	7.24	-65.72
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540034	0	49	0.0	-64.71	384.94	4.74	-59.97
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540034	1	49	0.0	-70.89	389.26	5.14	-65.75
CC(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C[NH+]1CCN(C)CC1	REAL300012540035	0	59	0.0	-76.74	452.07	8.40	-68.34
CC(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)CN1CC[NH+](C)CC1	REAL300012540035	1	59	0.0	-73.95	454.87	8.95	-65.00
CC(CNC(=O)NC1(C(=O)[O-])CCSCC1)C[NH+]1CCN(C)CC1	REAL300012540036	0	54	0.0	-67.21	397.06	5.94	-61.27
CC(CNC(=O)NC1(C(=O)[O-])CCSCC1)CN1CC[NH+](C)CC1	REAL300012540036	1	54	0.0	-70.35	400.22	6.40	-63.95
COCC(C)(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540037	0	53	0.0	-74.30	392.22	3.68	-70.62
COCC(C)(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540037	1	53	0.0	-82.68	395.71	4.10	-78.58
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012540038	0	56	0.0	-69.83	411.23	5.45	-64.38
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012540038	1	56	0.0	-73.21	416.33	5.85	-67.36
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012540039	0	55	0.0	-59.73	403.68	6.88	-52.85
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012540039	1	55	0.0	-66.95	407.42	7.53	-59.42
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012540040	0	62	0.0	-57.30	447.02	9.40	-47.90
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012540040	1	62	0.0	-61.47	457.66	10.58	-50.89
CC(CNC(=O)N(CC(=O)[O-])C1CC1)C[NH+]1CCN(C)CC1	REAL300012540041	0	50	0.0	-60.49	371.11	6.39	-54.10
CC(CNC(=O)N(CC(=O)[O-])C1CC1)CN1CC[NH+](C)CC1	REAL300012540041	1	50	0.0	-64.56	373.77	6.85	-57.71
CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540042	0	52	0.0	-60.45	407.40	6.95	-53.50
CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540042	1	52	0.0	-62.61	410.21	7.38	-55.23
CC(CNC(=O)NC1(C(=O)[O-])CCOC1)C[NH+]1CCN(C)CC1	REAL300012540043	0	51	0.0	-72.26	375.58	2.58	-69.68
CC(CNC(=O)NC1(C(=O)[O-])CCOC1)CN1CC[NH+](C)CC1	REAL300012540043	1	51	0.0	-76.57	378.30	2.94	-73.63
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C[NH+]1CCN(C)CC1	REAL300012540044	0	59	0.0	-75.20	422.99	6.34	-68.86
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)CN1CC[NH+](C)CC1	REAL300012540044	1	59	0.0	-78.52	424.07	6.44	-72.08
CC(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540045	0	60	0.0	-72.51	439.23	6.82	-65.69
CC(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540045	1	60	0.0	-73.78	441.58	7.30	-66.48
CC(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300012540046	0	60	0.0	-81.90	445.02	10.04	-71.86
CC(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300012540046	1	60	0.0	-88.50	446.64	10.57	-77.93
CC(CNC(=O)NC1(C(=O)[O-])CCOCC1)C[NH+]1CCN(C)CC1	REAL300012540047	0	54	0.0	-70.13	390.79	3.76	-66.37
CC(CNC(=O)NC1(C(=O)[O-])CCOCC1)CN1CC[NH+](C)CC1	REAL300012540047	1	54	0.0	-78.65	393.95	4.21	-74.44
C=CCCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540048	0	53	0.0	-70.81	404.15	5.34	-65.47
C=CCCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540048	1	53	0.0	-75.80	407.64	5.78	-70.02
CC(CNC(=O)NC(CF)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540049	0	46	0.0	-59.78	351.45	3.03	-56.75
CC(CNC(=O)NC(CF)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540049	1	46	0.0	-64.53	355.12	3.44	-61.09
CC(CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540050	0	59	0.0	-52.68	432.57	9.77	-42.91
CC(CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540050	1	59	0.0	-59.28	436.28	10.08	-49.20
CC(CNC(=O)N(C)C(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540051	0	49	0.0	-68.22	359.79	5.01	-63.21
CC(CNC(=O)N(C)C(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540051	1	49	0.0	-73.13	363.42	5.51	-67.62
CCC(CC)(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540052	0	55	0.0	-71.12	390.64	5.28	-65.84
CCC(CC)(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540052	1	55	0.0	-79.89	394.14	5.70	-74.19
COC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])C=C1	REAL300012540053	0	57	0.0	-74.28	435.54	5.42	-68.86
COC1=CC=C(C(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012540053	1	57	0.0	-77.91	438.28	5.80	-72.11
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012540054	0	55	0.0	-59.34	399.85	7.45	-51.89
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012540054	1	55	0.0	-61.97	403.90	7.68	-54.29
CCC(COC)(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540055	0	56	0.0	-75.71	408.88	4.58	-71.13
CCC(COC)(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540055	1	56	0.0	-82.24	412.15	5.02	-77.22
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012540056	0	59	0.0	-69.87	431.51	6.20	-63.67
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012540056	1	59	0.0	-73.10	435.99	6.51	-66.59
CC(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C[NH+]1CCN(C)CC1	REAL300012540057	0	56	0.0	-72.37	415.89	2.23	-70.14
CC(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)CN1CC[NH+](C)CC1	REAL300012540057	1	56	0.0	-74.81	419.07	2.70	-72.11
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540058	0	53	0.0	-72.79	401.53	5.61	-67.18
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540058	1	53	0.0	-70.63	405.13	5.93	-64.70
COCCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540059	0	53	0.0	-70.98	402.68	3.09	-67.89
COCCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540059	1	53	0.0	-75.53	406.77	3.57	-71.96
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012540060	0	58	0.0	-69.45	418.12	7.34	-62.11
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012540060	1	58	0.0	-73.26	423.94	8.06	-65.20
CC(CNC(=O)NC(CC(F)F)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540061	0	49	0.0	-66.86	380.45	4.55	-62.31
CC(CNC(=O)NC(CC(F)F)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540061	1	49	0.0	-74.99	385.68	4.74	-70.25
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012540062	0	59	0.0	-82.41	420.56	8.47	-73.94
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012540062	1	59	0.0	-87.63	423.26	8.86	-78.77
CCCN(C(=O)NCC(C)C[NH+]1CCN(C)CC1)C(C)C(=O)[O-]	REAL300012540063	0	55	0.0	-65.66	399.27	6.70	-58.96
CCCN(C(=O)NCC(C)CN1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012540063	1	55	0.0	-74.06	402.32	7.07	-66.99
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540064	0	59	0.0	-54.20	434.07	9.85	-44.35
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540064	1	59	0.0	-56.66	439.87	10.32	-46.34
CCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012540065	0	59	0.0	-75.44	430.75	7.77	-67.67
CCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012540065	1	59	0.0	-82.01	433.59	8.18	-73.83
COC1CCCC(C(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])C1	REAL300012540066	0	63	0.0	-79.82	456.12	5.26	-74.56
COC1CCCC(C(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])C1	REAL300012540066	1	63	0.0	-83.46	458.16	5.71	-77.75
CC(CNC(=O)NC(CCF)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540067	0	49	0.0	-69.70	375.60	4.17	-65.53
CC(CNC(=O)NC(CCF)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540067	1	49	0.0	-74.30	379.92	4.59	-69.71
COC1(CC(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])CCC1	REAL300012540068	0	60	0.0	-75.38	439.88	5.39	-69.99
COC1(CC(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])CCC1	REAL300012540068	1	60	0.0	-80.26	444.15	5.50	-74.76
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C[NH+]1CCN(C)CC1	REAL300012540069	0	57	0.0	-60.78	412.62	5.76	-55.02
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)CN1CC[NH+](C)CC1	REAL300012540069	1	57	0.0	-63.49	415.36	6.14	-57.35
CC(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C[NH+]1CCN(C)CC1	REAL300012540070	0	59	0.0	-60.77	421.58	8.14	-52.63
CC(CNC(=O)N(CC(=O)[O-])C1CCCCC1)CN1CC[NH+](C)CC1	REAL300012540070	1	59	0.0	-63.43	424.32	8.52	-54.91
CC(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)C[NH+]1CCN(C)CC1	REAL300012540071	0	59	0.0	-77.49	413.24	6.64	-70.85
CC(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)CN1CC[NH+](C)CC1	REAL300012540071	1	59	0.0	-80.14	416.32	7.09	-73.05
COC1=CC=CC(C(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])=C1	REAL300012540072	0	57	0.0	-76.88	435.55	5.41	-71.47
COC1=CC=CC(C(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012540072	1	57	0.0	-74.53	438.39	5.99	-68.54
CC(CNC(=O)NC(C)(CCF)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540073	0	52	0.0	-67.21	380.56	4.53	-62.68
CC(CNC(=O)NC(C)(CCF)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540073	1	52	0.0	-73.56	384.06	4.95	-68.61
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540074	0	54	0.0	-65.76	403.44	6.74	-59.02
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540074	1	54	0.0	-67.77	405.57	6.99	-60.78
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540075	0	50	0.0	-72.95	382.57	5.81	-67.14
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540075	1	50	0.0	-77.58	385.16	6.19	-71.39
COC1=CC=CC([C@H](NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])=C1	REAL300012540076	0	57	0.0	-76.25	434.95	5.44	-70.81
COC1=CC=CC([C@H](NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012540076	1	57	0.0	-78.81	438.67	5.85	-72.96
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540077	0	49	0.0	-69.46	360.02	5.11	-64.35
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540077	1	49	0.0	-71.56	362.74	5.49	-66.07
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCN(C)CC2)C1	REAL300012540078	0	59	0.0	-81.17	434.71	7.84	-73.33
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)CN2CC[NH+](C)CC2)C1	REAL300012540078	1	59	0.0	-86.07	437.43	8.25	-77.82
COC1=CC=CC(CC(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])=C1	REAL300012540079	0	60	0.0	-73.29	457.56	6.43	-66.86
COC1=CC=CC(CC(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012540079	1	60	0.0	-80.70	461.02	6.82	-73.88
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C[NH+]1CCN(C)CC1	REAL300012540080	0	62	0.0	-77.27	427.08	7.08	-70.19
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)CN1CC[NH+](C)CC1	REAL300012540080	1	62	0.0	-82.19	427.77	7.32	-74.87
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C[NH+]1CCN(C)CC1	REAL300012540081	0	51	0.0	-84.81	375.98	6.60	-78.21
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)CN1CC[NH+](C)CC1	REAL300012540081	1	51	0.0	-82.41	378.70	7.19	-75.22
COC1CN(C(=O)NCC(C)C[NH+]2CCN(C)CC2)C(C)(C(=O)[O-])C1	REAL300012540082	0	57	0.0	-80.09	419.07	5.48	-74.61
COC1CN(C(=O)NCC(C)CN2CC[NH+](C)CC2)C(C)(C(=O)[O-])C1	REAL300012540082	1	57	0.0	-82.55	419.49	5.66	-76.89
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540083	0	60	0.0	-73.29	441.07	4.95	-68.34
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540083	1	60	0.0	-76.14	444.48	5.34	-70.80
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C[NH+]1CCN(C)CC1	REAL300012540084	0	55	0.0	-74.19	400.71	5.16	-69.03
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CN1CC[NH+](C)CC1	REAL300012540084	1	55	0.0	-78.59	399.52	5.35	-73.24
C=C(Cl)CC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540085	0	50	0.0	-71.48	399.10	5.07	-66.41
C=C(Cl)CC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540085	1	50	0.0	-72.35	401.56	5.63	-66.72
C=C(C)CC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540086	0	53	0.0	-71.21	403.42	5.21	-66.00
C=C(C)CC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540086	1	53	0.0	-76.08	406.24	5.82	-70.26
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C[NH+]1CCN(C)CC1	REAL300012540087	0	54	0.0	-87.08	390.82	7.42	-79.66
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)CN1CC[NH+](C)CC1	REAL300012540087	1	54	0.0	-85.62	392.94	7.89	-77.73
CC(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540088	0	59	0.0	-73.38	437.88	7.33	-66.05
CC(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540088	1	59	0.0	-78.82	440.62	7.70	-71.12
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540089	0	50	0.0	-70.38	382.34	5.81	-64.57
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540089	1	50	0.0	-73.91	384.74	6.56	-67.35
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540090	0	50	0.0	-76.84	375.90	5.75	-71.09
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540090	1	50	0.0	-79.73	377.89	6.42	-73.31
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCN(C)CC2)C1	REAL300012540091	0	51	0.0	-79.23	382.88	6.03	-73.20
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)CN2CC[NH+](C)CC2)C1	REAL300012540091	1	51	0.0	-81.62	385.97	6.49	-75.13
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540092	0	60	0.0	-75.09	441.14	4.93	-70.16
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540092	1	60	0.0	-76.79	443.28	5.26	-71.53
CC(C)C[C@H](NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540093	0	55	0.0	-73.27	408.61	5.39	-67.88
CC(C)C[C@H](NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540093	1	55	0.0	-76.02	410.52	5.80	-70.22
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C[NH+]1CCN(C)CC1	REAL300012540094	0	57	0.0	-72.84	417.99	4.12	-68.72
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)CN1CC[NH+](C)CC1	REAL300012540094	1	57	0.0	-72.88	416.88	4.41	-68.47
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300012540095	0	53	0.0	-74.53	406.08	6.13	-68.40
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300012540095	1	53	0.0	-78.36	408.79	6.50	-71.86
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540096	0	53	0.0	-72.79	401.53	5.61	-67.18
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540096	1	53	0.0	-70.63	405.13	5.93	-64.70
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540097	0	52	0.0	-71.84	414.89	4.24	-67.60
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540097	1	52	0.0	-76.25	417.46	4.64	-71.61
CC(C)CCCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540098	0	61	0.0	-70.47	451.07	6.86	-63.61
CC(C)CCCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540098	1	61	0.0	-76.03	455.39	7.28	-68.75
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540099	0	57	0.0	-77.78	425.87	4.50	-73.28
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540099	1	57	0.0	-82.48	428.61	4.87	-77.61
CSCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540100	0	50	0.0	-68.43	393.30	4.44	-63.99
CSCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540100	1	50	0.0	-73.95	396.79	4.86	-69.09
COC[C@H](NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540101	0	50	0.0	-73.99	381.31	2.29	-71.70
COC[C@H](NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540101	1	50	0.0	-77.32	384.02	2.65	-74.67
CC[C@H](NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540102	0	49	0.0	-72.32	369.11	4.08	-68.24
CC[C@H](NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540102	1	49	0.0	-76.09	372.65	4.43	-71.66
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540103	0	56	0.0	-73.41	434.77	7.13	-66.28
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540103	1	56	0.0	-77.38	437.49	7.50	-69.88
CCC(C)CC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540104	0	58	0.0	-70.85	425.93	5.99	-64.86
CCC(C)CC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540104	1	58	0.0	-76.57	429.54	6.53	-70.04
C=CCCCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540105	0	56	0.0	-70.69	425.65	6.12	-64.57
C=CCCCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540105	1	56	0.0	-75.66	428.90	6.62	-69.04
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540106	0	56	0.0	-71.84	433.88	7.14	-64.70
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540106	1	56	0.0	-77.40	434.29	7.32	-70.08
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C[NH+]1CCN(C)CC1	REAL300012540107	0	59	0.0	-79.18	446.99	8.28	-70.90
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)CN1CC[NH+](C)CC1	REAL300012540107	1	59	0.0	-74.17	446.71	8.71	-65.46
CC(CNC(=O)N1CCSCC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540108	0	51	0.0	-80.45	379.83	7.08	-73.37
CC(CNC(=O)N1CCSCC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540108	1	51	0.0	-84.42	382.32	7.37	-77.05
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300012540109	0	56	0.0	-74.67	413.88	6.90	-67.77
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300012540109	1	56	0.0	-77.48	416.77	7.46	-70.02
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540110	0	50	0.0	-73.87	369.35	5.61	-68.26
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540110	1	50	0.0	-85.16	372.17	6.02	-79.14
CCCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540111	0	52	0.0	-71.24	391.34	4.78	-66.46
CCCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540111	1	52	0.0	-75.69	394.59	5.27	-70.42
CC(C)[C@@H](NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540112	0	52	0.0	-74.20	382.02	4.38	-69.82
CC(C)[C@@H](NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540112	1	52	0.0	-71.00	385.12	4.82	-66.18
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540113	0	54	0.0	-85.26	390.36	7.55	-77.71
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540113	1	54	0.0	-90.09	392.67	7.93	-82.16
CCN(C(=O)NCC(C)C[NH+]1CCN(C)CC1)C(C)(C)C(=O)[O-]	REAL300012540114	0	55	0.0	-70.06	393.88	6.82	-63.24
CCN(C(=O)NCC(C)CN1CC[NH+](C)CC1)C(C)(C)C(=O)[O-]	REAL300012540114	1	55	0.0	-80.05	397.94	7.24	-72.81
CCCN(C(=O)NCC(C)C[NH+]1CCN(C)CC1)C(C)C(=O)[O-]	REAL300012540115	0	55	0.0	-65.66	399.27	6.70	-58.96
CCCN(C(=O)NCC(C)CN1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012540115	1	55	0.0	-74.06	402.32	7.07	-66.99
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C[NH+]1CCN(C)CC1	REAL300012540116	0	49	0.0	-64.86	382.43	6.32	-58.54
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CN1CC[NH+](C)CC1	REAL300012540116	1	49	0.0	-71.30	385.88	6.76	-64.54
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C[NH+]1CCN(C)CC1	REAL300012540117	0	49	0.0	-64.86	382.43	6.32	-58.54
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CN1CC[NH+](C)CC1	REAL300012540117	1	49	0.0	-71.30	385.88	6.76	-64.54
CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540118	0	52	0.0	-70.24	374.90	5.94	-64.30
CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540118	1	52	0.0	-80.00	378.66	6.33	-73.67
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540119	0	50	0.0	-80.22	369.54	5.68	-74.54
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540119	1	50	0.0	-84.62	372.01	6.42	-78.20
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540120	0	62	0.0	-60.03	456.20	4.34	-55.69
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540120	1	62	0.0	-67.41	459.60	4.73	-62.68
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540121	0	51	0.0	-83.07	382.09	2.15	-80.92
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540121	1	51	0.0	-86.62	383.41	2.65	-83.97
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012540123	0	57	0.0	-58.77	424.58	8.89	-49.88
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012540123	1	57	0.0	-67.33	426.32	9.23	-58.10
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540124	0	60	0.0	-62.67	432.98	9.08	-53.59
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540124	1	60	0.0	-69.21	436.41	9.47	-59.74
CCC[C@@H](NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540125	0	52	0.0	-73.78	391.42	4.81	-68.97
CCC[C@@H](NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540125	1	52	0.0	-78.00	394.15	5.19	-72.81
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540126	0	58	0.0	-73.87	425.96	7.27	-66.60
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540126	1	58	0.0	-75.52	428.95	7.72	-67.80
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300012540127	0	53	0.0	-75.26	406.10	6.13	-69.13
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300012540127	1	53	0.0	-79.95	408.83	6.49	-73.46
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540128	0	58	0.0	-69.93	445.88	6.10	-63.83
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540128	1	58	0.0	-79.52	448.94	6.45	-73.07
C=CCCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540129	0	53	0.0	-70.81	404.15	5.34	-65.47
C=CCCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540129	1	53	0.0	-75.80	407.64	5.78	-70.02
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540130	0	52	0.0	-76.58	414.63	4.13	-72.45
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540130	1	52	0.0	-72.98	417.72	4.57	-68.41
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540131	0	53	0.0	-88.92	399.18	3.52	-85.40
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540131	1	53	0.0	-92.01	402.08	3.79	-88.22
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540132	0	54	0.0	-74.15	396.94	5.22	-68.93
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540132	1	54	0.0	-73.69	399.51	5.71	-67.98
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540133	0	53	0.0	-79.65	385.79	6.51	-73.14
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540133	1	53	0.0	-84.85	388.51	6.87	-77.98
CC(C)[C@H](NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540134	0	52	0.0	-73.29	382.61	4.37	-68.92
CC(C)[C@H](NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540134	1	52	0.0	-75.04	386.83	4.96	-70.08
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300012540135	0	53	0.0	-73.86	405.45	6.15	-67.71
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300012540135	1	53	0.0	-80.23	406.47	6.30	-73.93
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540136	0	56	0.0	-76.61	415.54	5.45	-71.16
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540136	1	56	0.0	-74.35	418.61	5.92	-68.43
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540137	0	49	0.0	-69.46	360.02	5.11	-64.35
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540137	1	49	0.0	-71.56	362.74	5.49	-66.07
CCC[C@H](NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540138	0	52	0.0	-72.26	390.58	4.83	-67.43
CCC[C@H](NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540138	1	52	0.0	-75.52	394.51	5.26	-70.26
CCN(C(=O)NCC(C)C[NH+]1CCN(C)CC1)C(C)C(=O)[O-]	REAL300012540139	0	52	0.0	-68.50	380.97	6.61	-61.89
CCN(C(=O)NCC(C)CN1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012540139	1	52	0.0	-79.89	383.43	6.96	-72.93
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)C[NH+]1CCN(C)CC1	REAL300012540140	0	56	0.0	-60.30	404.20	7.43	-52.87
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)CN1CC[NH+](C)CC1	REAL300012540140	1	56	0.0	-62.99	406.92	7.81	-55.18
CC(CNC(=O)N(C)CC(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540141	0	52	0.0	-71.09	381.06	5.50	-65.59
CC(CNC(=O)N(C)CC(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540141	1	52	0.0	-79.30	385.62	6.21	-73.09
CC[C@H](C)[C@H](NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540142	0	55	0.0	-73.83	401.16	5.01	-68.82
CC[C@H](C)[C@H](NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540142	1	55	0.0	-77.30	403.89	5.39	-71.91
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012540143	0	52	0.0	-69.49	381.40	6.19	-63.30
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012540143	1	52	0.0	-74.32	380.76	6.22	-68.10
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C[NH+]1CCN(C)CC1	REAL300012540144	0	54	0.0	-82.93	401.73	1.96	-80.97
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)CN1CC[NH+](C)CC1	REAL300012540144	1	54	0.0	-83.74	406.05	2.44	-81.30
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C[NH+]1CCN(C)CC1	REAL300012540145	0	62	0.0	-75.36	453.40	5.36	-70.00
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CN1CC[NH+](C)CC1	REAL300012540145	1	62	0.0	-81.41	453.81	5.54	-75.87
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)C[NH+]1CCN(C)CC1	REAL300012540146	0	56	0.0	-76.65	406.12	5.80	-70.85
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)CN1CC[NH+](C)CC1	REAL300012540146	1	56	0.0	-81.25	406.41	5.97	-75.28
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C[NH+]1CCN(C)CC1	REAL300012540147	0	59	0.0	-78.29	413.85	6.41	-71.88
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)CN1CC[NH+](C)CC1	REAL300012540147	1	59	0.0	-83.62	418.19	6.90	-76.72
COCCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540148	0	53	0.0	-70.98	402.68	3.09	-67.89
COCCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540148	1	53	0.0	-75.53	406.77	3.57	-71.96
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540149	0	59	0.0	-68.06	436.82	8.94	-59.12
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540149	1	59	0.0	-76.18	439.65	9.37	-66.81
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C[NH+]1CCN(C)CC1	REAL300012540150	0	56	0.0	-78.89	407.39	6.47	-72.42
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)CN1CC[NH+](C)CC1	REAL300012540150	1	56	0.0	-84.28	410.21	6.84	-77.44
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C[NH+]1CCN(C)CC1	REAL300012540151	0	53	0.0	-76.43	393.54	5.41	-71.02
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)CN1CC[NH+](C)CC1	REAL300012540151	1	53	0.0	-80.68	396.25	5.79	-74.89
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C[NH+]1CCN(C)CC1	REAL300012540152	0	62	0.0	-75.46	453.81	5.33	-70.13
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CN1CC[NH+](C)CC1	REAL300012540152	1	62	0.0	-78.07	454.23	5.51	-72.56
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540153	0	51	0.0	-86.13	379.51	2.45	-83.68
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540153	1	51	0.0	-91.03	382.11	2.81	-88.22
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)C[NH+]1CCN(C)CC1	REAL300012540154	0	54	0.0	-70.06	400.01	3.08	-66.98
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)CN1CC[NH+](C)CC1	REAL300012540154	1	54	0.0	-78.41	399.43	3.46	-74.95
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540155	0	54	0.0	-83.88	390.52	7.11	-76.77
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540155	1	54	0.0	-87.67	391.24	7.27	-80.40
CC(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C[NH+]1CCN(C)CC1	REAL300012540156	0	57	0.0	-82.27	437.76	6.27	-76.00
CC(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)CN1CC[NH+](C)CC1	REAL300012540156	1	57	0.0	-86.26	438.41	6.37	-79.89
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C[NH+]1CCN(C)CC1	REAL300012540157	0	52	0.0	-75.78	383.17	4.74	-71.04
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)CN1CC[NH+](C)CC1	REAL300012540157	1	52	0.0	-77.34	385.97	5.60	-71.74
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540158	0	56	0.0	-82.52	400.77	7.82	-74.70
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540158	1	56	0.0	-87.91	403.57	8.23	-79.68
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300012540159	0	59	0.0	-72.35	444.99	7.44	-64.91
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300012540159	1	59	0.0	-75.83	445.06	7.76	-68.07
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540160	0	60	0.0	-73.54	437.92	7.92	-65.62
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540160	1	60	0.0	-75.66	441.31	8.31	-67.35
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)C[NH+]1CCN(C)CC1	REAL300012540161	0	53	0.0	-74.20	389.59	5.01	-69.19
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)CN1CC[NH+](C)CC1	REAL300012540161	1	53	0.0	-77.33	390.47	5.12	-72.21
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C[NH+]1CCN(C)CC1	REAL300012540162	0	66	0.0	-69.59	463.24	6.81	-62.78
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)CN1CC[NH+](C)CC1	REAL300012540162	1	66	0.0	-81.65	466.03	7.28	-74.37
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C[NH+]1CCN(C)CC1	REAL300012540163	0	59	0.0	-75.20	422.99	6.34	-68.86
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)CN1CC[NH+](C)CC1	REAL300012540163	1	59	0.0	-78.52	424.07	6.44	-72.08
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)C[NH+]1CCN(C)CC1	REAL300012540164	0	53	0.0	-74.20	389.59	5.01	-69.19
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)CN1CC[NH+](C)CC1	REAL300012540164	1	53	0.0	-77.33	390.47	5.12	-72.21
CC(CNC(=O)N1CCC(C)C1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540165	0	53	0.0	-80.73	384.86	6.12	-74.61
CC(CNC(=O)N1CCC(C)C1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540165	1	53	0.0	-82.91	393.11	6.71	-76.20
C=CCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540166	0	50	0.0	-69.97	382.32	4.48	-65.49
C=CCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540166	1	50	0.0	-75.43	386.37	4.96	-70.47
CC(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540167	0	60	0.0	-76.06	443.30	5.24	-70.82
CC(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540167	1	60	0.0	-79.34	446.03	5.61	-73.73
CC(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C[NH+]1CCN(C)CC1	REAL300012540168	0	60	0.0	-55.56	415.77	7.78	-47.78
CC(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)CN1CC[NH+](C)CC1	REAL300012540168	1	60	0.0	-61.61	419.52	8.20	-53.41
CC(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C[NH+]1CCN(C)CC1	REAL300012540169	0	60	0.0	-76.57	420.02	5.09	-71.48
CC(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)CN1CC[NH+](C)CC1	REAL300012540169	1	60	0.0	-80.50	420.37	5.25	-75.25
CC1=CC=CC2=C1CCN(C(=O)NCC(C)C[NH+]1CCN(C)CC1)C2C(=O)[O-]	REAL300012540170	0	60	0.0	-64.37	438.32	9.09	-55.28
CC1=CC=CC2=C1CCN(C(=O)NCC(C)CN1CC[NH+](C)CC1)C2C(=O)[O-]	REAL300012540170	1	60	0.0	-68.24	441.16	9.47	-58.77
CC(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540171	0	54	0.0	-56.42	391.57	6.98	-49.44
CC(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540171	1	54	0.0	-66.57	394.19	7.35	-59.22
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540172	0	60	0.0	-73.54	437.92	7.92	-65.62
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540172	1	60	0.0	-75.66	441.31	8.31	-67.35
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540173	0	56	0.0	-76.72	434.50	7.20	-69.52
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540173	1	56	0.0	-78.58	437.93	7.59	-70.99
COC1CC(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)(C(=O)[O-])C1	REAL300012540174	0	54	0.0	-79.62	404.65	3.73	-75.89
COC1CC(NC(=O)NCC(C)CN2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012540174	1	54	0.0	-85.53	407.25	4.11	-81.42
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C[NH+]1CCN(C)CC1	REAL300012540175	0	50	0.0	-76.38	379.47	4.79	-71.59
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)CN1CC[NH+](C)CC1	REAL300012540175	1	50	0.0	-79.71	379.89	4.97	-74.74
CO[C@H]1C[C@](NC(=O)NCC(C)C[NH+]2CCN(C)CC2)(C(=O)[O-])C1	REAL300012540176	0	54	0.0	-75.81	403.11	4.03	-71.78
CO[C@H]1C[C@](NC(=O)NCC(C)CN2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012540176	1	54	0.0	-77.97	403.20	3.81	-74.16
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C[NH+]1CCN(C)CC1	REAL300012540177	0	53	0.0	-76.58	410.05	5.81	-70.77
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)CN1CC[NH+](C)CC1	REAL300012540177	1	53	0.0	-80.13	410.55	6.08	-74.05
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012540178	0	56	0.0	-80.45	401.57	7.66	-72.79
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012540178	1	56	0.0	-87.28	401.80	8.12	-79.16
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540179	0	49	0.0	-64.71	384.94	4.74	-59.97
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540179	1	49	0.0	-70.89	389.26	5.14	-65.75
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540180	0	57	0.0	-70.70	423.64	4.02	-66.68
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540180	1	57	0.0	-76.10	422.25	4.20	-71.90
CC(CNC(=O)NC1(C(=O)[O-])COC1)C[NH+]1CCN(C)CC1	REAL300012540181	0	48	0.0	-72.03	361.87	1.81	-70.22
CC(CNC(=O)NC1(C(=O)[O-])COC1)CN1CC[NH+](C)CC1	REAL300012540181	1	48	0.0	-75.52	362.29	1.99	-73.53
CC(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540182	0	53	0.0	-73.49	419.39	6.14	-67.35
CC(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540182	1	53	0.0	-79.17	423.64	6.51	-72.66
COCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012540183	0	60	0.0	-73.85	446.85	6.10	-67.75
COCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012540183	1	60	0.0	-80.39	449.79	6.50	-73.89
CC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C[NH+]1CCN(C)CC1	REAL300012540184	0	55	0.0	-70.61	388.89	5.02	-65.59
CC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)CN1CC[NH+](C)CC1	REAL300012540184	1	55	0.0	-79.28	392.39	5.45	-73.83
CC(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540185	0	51	0.0	-83.47	376.43	7.13	-76.34
CC(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540185	1	51	0.0	-88.81	379.01	7.48	-81.33
CC(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540186	0	54	0.0	-81.76	391.91	6.71	-75.05
CC(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540186	1	54	0.0	-86.90	394.70	7.09	-79.81
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540187	0	59	0.0	-54.20	434.07	9.85	-44.35
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540187	1	59	0.0	-56.66	439.87	10.32	-46.34
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540188	0	62	0.0	-73.23	450.05	7.33	-65.90
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540188	1	62	0.0	-78.59	452.79	7.71	-70.88
CC(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540189	0	59	0.0	-73.33	450.49	7.85	-65.48
CC(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540189	1	59	0.0	-77.10	454.06	8.22	-68.88
CC(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540190	0	59	0.0	-74.50	451.08	7.90	-66.60
CC(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540190	1	59	0.0	-71.24	454.17	8.35	-62.89
CC(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C[NH+]1CCN(C)CC1	REAL300012540191	0	60	0.0	-76.53	432.21	6.70	-69.83
CC(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)CN1CC[NH+](C)CC1	REAL300012540191	1	60	0.0	-79.88	433.10	7.09	-72.79
CC(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540192	0	62	0.0	-74.18	450.03	7.34	-66.84
CC(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540192	1	62	0.0	-71.27	452.99	7.76	-63.51
CC(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540193	0	62	0.0	-73.18	450.04	7.33	-65.85
CC(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540193	1	62	0.0	-78.80	449.83	7.44	-71.36
CC(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540194	0	60	0.0	-56.05	431.34	7.88	-48.17
CC(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540194	1	60	0.0	-65.72	433.26	8.30	-57.42
CC(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540195	0	60	0.0	-78.46	426.12	7.71	-70.75
CC(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540195	1	60	0.0	-87.10	429.17	8.12	-78.98
COC1=CC=C(CC(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])C=C1	REAL300012540196	0	60	0.0	-76.53	457.85	6.36	-70.17
COC1=CC=C(CC(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012540196	1	60	0.0	-77.55	460.52	6.74	-70.81
C=CCSCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540197	0	54	0.0	-68.44	427.58	5.88	-62.56
C=CCSCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540197	1	54	0.0	-73.97	431.07	6.32	-67.65
CC(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540198	0	57	0.0	-74.07	448.94	7.52	-66.55
CC(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540198	1	57	0.0	-76.01	451.03	7.85	-68.16
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012540199	0	55	0.0	-69.48	396.20	7.50	-61.98
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012540199	1	55	0.0	-73.98	396.86	7.13	-66.85
COC1(C(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])CCC1	REAL300012540200	0	57	0.0	-69.99	417.52	3.72	-66.27
COC1(C(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])CCC1	REAL300012540200	1	57	0.0	-73.57	419.47	4.03	-69.54
CC(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C[NH+]1CCN(C)CC1	REAL300012540201	0	59	0.0	-78.13	431.84	7.09	-71.04
CC(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)CN1CC[NH+](C)CC1	REAL300012540201	1	59	0.0	-78.37	431.47	7.24	-71.13
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C[NH+]1CCN(C)CC1	REAL300012540202	0	60	0.0	-77.81	437.50	8.20	-69.61
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)CN1CC[NH+](C)CC1	REAL300012540202	1	60	0.0	-82.34	437.75	8.38	-73.96
CC(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C[NH+]1CCN(C)CC1	REAL300012540203	0	53	0.0	-73.66	405.15	5.67	-67.99
CC(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)CN1CC[NH+](C)CC1	REAL300012540203	1	53	0.0	-78.74	403.89	5.87	-72.87
CC(C)C1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])C=C1	REAL300012540205	0	62	0.0	-74.17	466.30	8.05	-66.12
CC(C)C1=CC=C(C(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012540205	1	62	0.0	-77.41	468.41	8.46	-68.95
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540206	0	50	0.0	-76.84	375.90	5.75	-71.09
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540206	1	50	0.0	-79.73	377.89	6.42	-73.31
CC(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540207	0	52	0.0	-57.36	384.67	6.76	-50.60
CC(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540207	1	52	0.0	-66.29	387.83	7.21	-59.08
CC(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540208	0	56	0.0	-81.77	404.82	6.60	-75.17
CC(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540208	1	56	0.0	-84.24	403.74	7.27	-76.97
CCOC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCN(C)CC2)C(=O)[O-])C=C1	REAL300012540209	0	60	0.0	-73.66	457.19	6.42	-67.24
CCOC1=CC=C(C(NC(=O)NCC(C)CN2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012540209	1	60	0.0	-77.64	460.13	6.73	-70.91
CC(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540210	0	60	0.0	-77.96	424.11	8.84	-69.12
CC(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540210	1	60	0.0	-81.16	428.33	9.02	-72.14
CC(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C[NH+]1CCN(C)CC1	REAL300012540211	0	60	0.0	-74.33	446.53	8.02	-66.31
CC(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)CN1CC[NH+](C)CC1	REAL300012540211	1	60	0.0	-80.23	450.81	8.37	-71.86
CC(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540212	0	60	0.0	-79.56	448.51	7.17	-72.39
CC(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540212	1	60	0.0	-82.98	451.25	7.55	-75.43
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540213	0	56	0.0	-76.48	441.48	7.07	-69.41
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540213	1	56	0.0	-82.50	442.73	7.23	-75.27
CC(C)CCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540214	0	58	0.0	-70.62	429.57	6.09	-64.53
CC(C)CCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540214	1	58	0.0	-75.86	433.65	6.57	-69.29
CC(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540215	0	57	0.0	-55.91	415.70	7.45	-48.46
CC(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540215	1	57	0.0	-63.06	419.21	7.77	-55.29
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540216	0	57	0.0	-70.70	423.64	4.02	-66.68
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540216	1	57	0.0	-76.10	422.25	4.20	-71.90
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCN(C)CC2)C1	REAL300012540217	0	54	0.0	-77.80	412.09	7.15	-70.65
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)CN2CC[NH+](C)CC2)C1	REAL300012540217	1	54	0.0	-80.73	414.69	7.51	-73.22
CC(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C[NH+]1CCN(C)CC1	REAL300012540218	0	57	0.0	-77.00	407.99	6.64	-70.36
CC(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)CN1CC[NH+](C)CC1	REAL300012540218	1	57	0.0	-82.68	408.02	7.27	-75.41
CC(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C[NH+]1CCN(C)CC1	REAL300012540219	0	54	0.0	-78.03	392.42	5.99	-72.04
CC(CNC(=O)NC1(C(=O)[O-])CCC2CC21)CN1CC[NH+](C)CC1	REAL300012540219	1	54	0.0	-84.24	395.82	6.39	-77.85
CC(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C[NH+]1CCN(C)CC1	REAL300012540220	0	57	0.0	-76.21	413.78	6.38	-69.83
CC(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)CN1CC[NH+](C)CC1	REAL300012540220	1	57	0.0	-82.90	416.40	6.76	-76.14
CC(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540221	0	59	0.0	-73.19	437.43	9.09	-64.10
CC(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540221	1	59	0.0	-74.13	437.83	9.27	-64.86
CC(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C[NH+]1CCN(C)CC1	REAL300012540222	0	63	0.0	-52.29	444.54	8.40	-43.89
CC(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)CN1CC[NH+](C)CC1	REAL300012540222	1	63	0.0	-65.77	447.34	8.79	-56.98
CC(CNC(=O)NC(C(=O)[O-])C1CCCC1)C[NH+]1CCN(C)CC1	REAL300012540223	0	56	0.0	-73.48	406.25	5.60	-67.88
CC(CNC(=O)NC(C(=O)[O-])C1CCCC1)CN1CC[NH+](C)CC1	REAL300012540223	1	56	0.0	-77.13	406.50	5.82	-71.31
CO[C@H](C)[C@H](NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540224	0	53	0.0	-74.15	399.93	3.29	-70.86
CO[C@H](C)[C@H](NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540224	1	53	0.0	-79.71	400.34	3.47	-76.24
CC(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)C[NH+]1CCN(C)CC1	REAL300012540225	0	53	0.0	-79.98	392.92	5.79	-74.19
CC(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)CN1CC[NH+](C)CC1	REAL300012540225	1	53	0.0	-85.59	395.66	6.17	-79.42
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300012540226	0	56	0.0	-59.55	426.84	8.87	-50.68
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300012540226	1	56	0.0	-67.02	429.88	9.35	-57.67
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540227	0	56	0.0	-57.78	408.54	6.75	-51.03
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540227	1	56	0.0	-66.01	411.23	7.13	-58.88
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540228	0	53	0.0	-79.74	390.89	7.11	-72.63
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540228	1	53	0.0	-84.05	393.57	7.50	-76.55
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540229	0	50	0.0	-82.16	380.34	6.10	-76.06
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540229	1	50	0.0	-83.88	383.44	6.53	-77.35
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540230	0	56	0.0	-76.72	434.50	7.20	-69.52
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540230	1	56	0.0	-78.58	437.93	7.59	-70.99
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540231	0	53	0.0	-74.04	419.18	6.00	-68.04
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540231	1	53	0.0	-78.07	421.75	6.39	-71.68
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540232	0	53	0.0	-69.47	397.79	6.60	-62.87
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540232	1	53	0.0	-77.27	398.28	6.80	-70.47
CC(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C[NH+]1CCN(C)CC1	REAL300012540233	0	57	0.0	-77.25	433.22	6.81	-70.44
CC(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)CN1CC[NH+](C)CC1	REAL300012540233	1	57	0.0	-82.04	433.52	6.98	-75.06
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540234	0	53	0.0	-74.04	419.18	6.00	-68.04
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540234	1	53	0.0	-78.07	421.75	6.39	-71.68
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540235	0	57	0.0	-81.75	407.65	7.07	-74.68
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540235	1	57	0.0	-87.87	409.07	7.47	-80.40
COCCCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540236	0	56	0.0	-69.75	424.18	3.86	-65.89
COCCCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540236	1	56	0.0	-75.51	428.26	4.34	-71.17
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300012540237	0	55	0.0	-68.93	401.71	6.93	-62.00
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300012540237	1	55	0.0	-71.78	405.80	7.25	-64.53
CCOCC(NC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300012540238	0	53	0.0	-72.74	403.06	3.22	-69.52
CCOCC(NC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300012540238	1	53	0.0	-78.00	407.04	3.67	-74.33
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540239	0	58	0.0	-68.90	420.47	6.43	-62.47
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540239	1	58	0.0	-78.59	423.89	6.84	-71.75
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C[NH+]1CCN(C)CC1	REAL300012540240	0	57	0.0	-75.44	420.67	4.60	-70.84
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)CN1CC[NH+](C)CC1	REAL300012540240	1	57	0.0	-81.92	423.14	4.56	-77.36
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C[NH+]1CCN(C)CC1	REAL300012540241	0	57	0.0	-75.58	424.18	7.32	-68.26
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)CN1CC[NH+](C)CC1	REAL300012540241	1	57	0.0	-83.09	428.37	7.81	-75.28
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540242	0	54	0.0	-81.02	391.59	5.49	-75.53
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540242	1	54	0.0	-85.78	394.41	5.88	-79.90
CC(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540243	0	56	0.0	-74.64	411.01	6.92	-67.72
CC(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540243	1	56	0.0	-76.84	411.60	7.09	-69.75
CC(CNC(=O)NC(CCC#N)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540244	0	50	0.0	-72.45	389.87	4.53	-67.92
CC(CNC(=O)NC(CCC#N)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540244	1	50	0.0	-75.99	393.95	5.01	-70.98
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C[NH+]1CCN(C)CC1	REAL300012540245	0	53	0.0	-62.81	402.89	6.76	-56.05
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)CN1CC[NH+](C)CC1	REAL300012540245	1	53	0.0	-64.97	411.25	7.37	-57.60
CC(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540246	0	64	0.0	-80.74	441.87	7.53	-73.21
CC(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540246	1	64	0.0	-80.59	444.57	8.00	-72.59
CC(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540247	0	55	0.0	-73.74	439.93	5.78	-67.96
CC(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540247	1	55	0.0	-73.34	443.30	6.15	-67.19
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300012540248	0	49	0.0	-69.79	360.95	5.11	-64.68
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300012540248	1	49	0.0	-72.78	363.68	5.49	-67.29
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCN(C)CC2)C1	REAL300012540249	0	57	0.0	-79.40	423.81	5.92	-73.48
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)CN2CC[NH+](C)CC2)C1	REAL300012540249	1	57	0.0	-85.11	427.13	6.39	-78.72
CCN1CC[NH+](CC(C)CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012540250	0	58	0.0	-73.46	426.75	6.14	-67.32
CC[NH+]1CCN(CC(C)CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012540250	1	58	0.0	-74.19	429.21	6.54	-67.65
C=CCOCC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540251	0	57	0.0	-72.71	434.59	4.61	-68.10
C=CCOCC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540251	1	57	0.0	-76.91	437.55	4.96	-71.95
C=CC(C)C(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540252	0	56	0.0	-68.61	412.78	5.74	-62.87
C=CC(C)C(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540252	1	56	0.0	-74.58	419.90	6.22	-68.36
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012540253	0	60	0.0	-76.74	431.98	4.70	-72.04
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012540253	1	60	0.0	-80.42	434.89	4.89	-75.53
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012540254	0	56	0.0	-67.06	436.81	7.01	-60.05
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012540254	1	56	0.0	-70.73	439.23	7.29	-63.44
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300012540255	0	60	0.0	-83.14	428.23	6.86	-76.28
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300012540255	1	60	0.0	-86.99	431.18	7.20	-79.79
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012540256	0	60	0.0	-73.12	432.52	4.66	-68.46
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012540256	1	60	0.0	-68.52	435.22	4.99	-63.53
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012540257	0	59	0.0	-83.22	419.06	8.63	-74.59
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012540257	1	59	0.0	-79.54	413.70	8.55	-70.99
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300012540258	0	59	0.0	-72.08	451.07	7.63	-64.45
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300012540258	1	59	0.0	-72.91	452.68	7.90	-65.01
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012540259	0	62	0.0	-75.45	467.19	8.25	-67.20
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012540259	1	62	0.0	-79.49	469.40	8.50	-70.99
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300012540260	0	62	0.0	-73.03	462.53	8.09	-64.94
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300012540260	1	62	0.0	-77.51	464.35	8.40	-69.11
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300012540261	0	62	0.0	-71.47	453.18	7.91	-63.56
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300012540261	1	62	0.0	-76.55	455.60	8.19	-68.36
CCCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(CC)CC1	REAL300012540262	0	55	0.0	-60.16	407.41	7.38	-52.78
CCCN(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](CC)CC1	REAL300012540262	1	55	0.0	-65.40	410.50	7.69	-57.71
CCN1CC[NH+](CC(C)CNC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012540263	0	59	0.0	-60.41	420.91	7.87	-52.54
CC[NH+]1CCN(CC(C)CNC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012540263	1	59	0.0	-64.03	422.25	8.19	-55.84
CCCN(C(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(COC)C(=O)[O-]	REAL300012540264	0	62	0.0	-70.80	450.63	8.33	-62.47
CCCN(C(=O)NCC(C)CN1CC[NH+](CC)CC1)C(COC)C(=O)[O-]	REAL300012540264	1	62	0.0	-73.12	448.23	7.31	-65.81
CCCN(C(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(CC)C(=O)[O-]	REAL300012540265	0	61	0.0	-69.17	436.00	8.99	-60.18
CCCN(C(=O)NCC(C)CN1CC[NH+](CC)CC1)C(CC)C(=O)[O-]	REAL300012540265	1	61	0.0	-71.06	437.28	8.66	-62.40
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012540266	0	55	0.0	-70.13	399.10	5.12	-65.01
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012540266	1	55	0.0	-77.04	403.76	5.45	-71.59
CCN1CC[NH+](CC(C)CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012540267	0	56	0.0	-83.05	398.14	8.00	-75.05
CC[NH+]1CCN(CC(C)CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012540267	1	56	0.0	-87.20	399.97	8.28	-78.92
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012540268	0	56	0.0	-71.14	440.91	7.44	-63.70
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012540268	1	56	0.0	-71.58	443.61	7.76	-63.82
CCN1CC[NH+](CC(C)CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012540269	0	54	0.0	-80.49	397.96	7.87	-72.62
CC[NH+]1CCN(CC(C)CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012540269	1	54	0.0	-76.12	399.86	8.27	-67.85
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012540270	0	59	0.0	-76.44	417.57	7.05	-69.39
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012540270	1	59	0.0	-81.54	419.40	7.28	-74.26
CCN1CC[NH+](CC(C)CNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012540271	0	53	0.0	-79.03	386.80	6.75	-72.28
CC[NH+]1CCN(CC(C)CNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012540271	1	53	0.0	-83.27	389.82	7.03	-76.24
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012540272	0	56	0.0	-76.99	402.47	5.91	-71.08
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012540272	1	56	0.0	-79.98	404.82	6.19	-73.79
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012540273	0	62	0.0	-77.06	423.22	7.72	-69.34
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012540273	1	62	0.0	-82.28	425.06	7.94	-74.34
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012540274	0	59	0.0	-74.37	446.34	7.91	-66.46
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012540274	1	59	0.0	-70.29	448.94	8.25	-62.04
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012540275	0	59	0.0	-59.68	444.98	9.65	-50.03
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012540275	1	59	0.0	-62.93	447.32	9.91	-53.02
CCN1CC[NH+](CC(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540276	0	56	0.0	-74.90	423.99	6.99	-67.91
CC[NH+]1CCN(CC(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540276	1	56	0.0	-71.42	426.93	7.24	-64.18
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540277	0	56	0.0	-73.96	423.58	6.94	-67.02
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540277	1	56	0.0	-76.54	425.92	7.20	-69.34
CCC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540278	0	52	0.0	-71.13	387.98	4.82	-66.31
CCC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540278	1	52	0.0	-74.78	391.07	5.13	-69.65
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012540279	0	55	0.0	-70.13	399.10	5.12	-65.01
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012540279	1	55	0.0	-77.04	403.76	5.45	-71.59
CCN1CC[NH+](CC(C)CNC(=O)N(C)CC(=O)[O-])CC1	REAL300012540280	0	49	0.0	-67.89	364.10	5.64	-62.25
CC[NH+]1CCN(CC(C)CNC(=O)N(C)CC(=O)[O-])CC1	REAL300012540280	1	49	0.0	-73.97	367.19	5.95	-68.02
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012540281	0	59	0.0	-74.37	446.34	7.91	-66.46
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012540281	1	59	0.0	-70.29	448.94	8.25	-62.04
CCN1CC[NH+](CC(C)CNC(=O)NC(C)C(=O)[O-])CC1	REAL300012540282	0	49	0.0	-62.62	365.98	3.82	-58.80
CC[NH+]1CCN(CC(C)CNC(=O)NC(C)C(=O)[O-])CC1	REAL300012540282	1	49	0.0	-65.42	369.55	4.07	-61.35
CCC(C)C(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540283	0	58	0.0	-71.94	419.22	5.78	-66.16
CCC(C)C(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540283	1	58	0.0	-77.65	422.31	6.09	-71.56
CCN1CC[NH+](CC(C)CNC(=O)N(C)CC(=O)[O-])CC1	REAL300012540284	0	49	0.0	-67.89	364.10	5.64	-62.25
CC[NH+]1CCN(CC(C)CNC(=O)N(C)CC(=O)[O-])CC1	REAL300012540284	1	49	0.0	-73.97	367.19	5.95	-68.02
CCN1CC[NH+](CC(C)CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012540285	0	56	0.0	-83.05	398.14	8.00	-75.05
CC[NH+]1CCN(CC(C)CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012540285	1	56	0.0	-87.20	399.97	8.28	-78.92
CCCC(C)(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540286	0	58	0.0	-70.09	413.61	5.95	-64.14
CCCC(C)(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540286	1	58	0.0	-75.80	416.71	6.26	-69.54
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012540287	0	55	0.0	-61.18	395.99	6.90	-54.28
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012540287	1	55	0.0	-64.34	399.30	7.19	-57.15
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012540288	0	53	0.0	-57.44	389.42	7.17	-50.27
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012540288	1	53	0.0	-63.29	391.59	7.43	-55.86
C=CCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(CC)CC1	REAL300012540289	0	53	0.0	-60.02	398.72	7.18	-52.84
C=CCN(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](CC)CC1	REAL300012540289	1	53	0.0	-65.18	401.81	7.50	-57.68
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012540290	0	58	0.0	-60.16	422.06	7.89	-52.27
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012540290	1	58	0.0	-64.89	424.91	8.00	-56.89
CCN1CC[NH+](CC(C)CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012540291	0	60	0.0	-82.78	435.75	9.88	-72.90
CC[NH+]1CCN(CC(C)CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012540291	1	60	0.0	-86.60	438.10	10.16	-76.44
CCN1CC[NH+](CC(C)CNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012540292	0	52	0.0	-61.24	378.72	4.20	-57.04
CC[NH+]1CCN(CC(C)CNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012540292	1	52	0.0	-63.57	381.81	4.50	-59.07
CCN1CC[NH+](CC(C)CNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012540293	0	56	0.0	-74.31	401.78	5.95	-68.36
CC[NH+]1CCN(CC(C)CNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012540293	1	56	0.0	-79.31	404.02	6.22	-73.09
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012540294	0	53	0.0	-73.52	415.95	6.01	-67.51
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012540294	1	53	0.0	-76.57	418.19	6.27	-70.30
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012540295	0	59	0.0	-76.44	417.57	7.05	-69.39
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012540295	1	59	0.0	-81.54	419.40	7.28	-74.26
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012540296	0	55	0.0	-61.18	395.99	6.90	-54.28
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012540296	1	55	0.0	-64.34	399.30	7.19	-57.15
CCCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(CC)CC1	REAL300012540297	0	55	0.0	-60.16	407.41	7.38	-52.78
CCCN(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](CC)CC1	REAL300012540297	1	55	0.0	-65.40	410.50	7.69	-57.71
CCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(CC)CC1	REAL300012540298	0	52	0.0	-68.01	385.91	6.63	-61.38
CCN(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](CC)CC1	REAL300012540298	1	52	0.0	-74.15	389.00	6.93	-67.22
CC[C@H](C)[C@H](NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540299	0	58	0.0	-74.03	419.29	5.80	-68.23
CC[C@H](C)[C@H](NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540299	1	58	0.0	-74.54	421.27	6.18	-68.36
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012540300	0	56	0.0	-76.99	402.47	5.91	-71.08
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012540300	1	56	0.0	-79.98	404.82	6.19	-73.79
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012540301	0	59	0.0	-57.51	451.39	9.72	-47.79
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012540301	1	59	0.0	-60.47	453.73	9.98	-50.49
CCN1CC[NH+](CC(C)CNC(=O)NC(C)(CC)C(=O)[O-])CC1	REAL300012540302	0	55	0.0	-69.89	392.11	5.20	-64.69
CC[NH+]1CCN(CC(C)CNC(=O)NC(C)(CC)C(=O)[O-])CC1	REAL300012540302	1	55	0.0	-75.46	395.21	5.50	-69.96
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012540303	0	60	0.0	-76.39	442.17	8.09	-68.30
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012540303	1	60	0.0	-80.87	444.51	8.35	-72.52
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012540304	0	56	0.0	-73.75	434.90	7.14	-66.61
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012540304	1	56	0.0	-77.74	437.16	7.40	-70.34
CCN1CC[NH+](CC(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540305	0	59	0.0	-74.80	432.01	7.69	-67.11
CC[NH+]1CCN(CC(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540305	1	59	0.0	-78.13	434.35	7.96	-70.17
CCN1CC[NH+](CC(C)CNC(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300012540306	0	49	0.0	-64.48	366.06	3.84	-60.64
CC[NH+]1CCN(CC(C)CNC(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300012540306	1	49	0.0	-65.77	365.74	3.85	-61.92
CCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(CC)CC1	REAL300012540307	0	52	0.0	-68.01	385.91	6.63	-61.38
CCN(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](CC)CC1	REAL300012540307	1	52	0.0	-74.15	389.00	6.93	-67.22
CCCCCCC(C)(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540308	0	67	0.0	-70.31	478.11	8.28	-62.03
CCCCCCC(C)(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540308	1	67	0.0	-76.01	481.20	8.59	-67.42
CCN1CC[NH+](CC(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012540309	0	62	0.0	-68.04	455.48	9.85	-58.19
CC[NH+]1CCN(CC(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012540309	1	62	0.0	-68.03	458.25	10.21	-57.82
CCN1CC[NH+](CC(C)CNC(=O)N[C@H](C)C(=O)[O-])CC1	REAL300012540310	0	49	0.0	-64.87	366.23	3.82	-61.05
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H](C)C(=O)[O-])CC1	REAL300012540310	1	49	0.0	-65.76	368.56	4.09	-61.67
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012540311	0	50	0.0	-78.28	372.38	5.03	-73.25
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012540311	1	50	0.0	-78.16	375.08	5.37	-72.79
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012540312	0	56	0.0	-71.14	440.91	7.44	-63.70
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012540312	1	56	0.0	-71.58	443.61	7.76	-63.82
CCN1CC[NH+](CC(C)CNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012540313	0	54	0.0	-74.41	388.88	5.47	-68.94
CC[NH+]1CCN(CC(C)CNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012540313	1	54	0.0	-83.13	392.20	5.79	-77.34
CCN1CC[NH+](CC(C)CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012540314	0	62	0.0	-78.17	426.83	8.36	-69.81
CC[NH+]1CCN(CC(C)CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012540314	1	62	0.0	-80.73	429.16	8.64	-72.09
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012540315	0	53	0.0	-74.44	394.53	5.33	-69.11
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012540315	1	53	0.0	-78.11	396.77	5.60	-72.51
CCN1CC[NH+](CC(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012540316	0	62	0.0	-62.27	467.48	10.43	-51.84
CC[NH+]1CCN(CC(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012540316	1	62	0.0	-65.91	470.08	10.76	-55.15
CCN1CC[NH+](CC(C)CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540317	0	59	0.0	-73.13	435.35	8.79	-64.34
CC[NH+]1CCN(CC(C)CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540317	1	59	0.0	-76.24	436.30	9.44	-66.80
CCN1CC[NH+](CC(C)CNC(=O)N(CCOC)CC(=O)[O-])CC1	REAL300012540318	0	56	0.0	-61.08	417.28	5.80	-55.28
CC[NH+]1CCN(CC(C)CNC(=O)N(CCOC)CC(=O)[O-])CC1	REAL300012540318	1	56	0.0	-66.09	420.38	6.12	-59.97
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012540319	0	60	0.0	-79.80	439.38	8.04	-71.76
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012540319	1	60	0.0	-80.92	441.60	8.31	-72.61
CCN1CC[NH+](CC(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012540320	0	53	0.0	-73.87	387.48	6.40	-67.47
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012540320	1	53	0.0	-83.85	389.41	6.66	-77.19
CCN1CC[NH+](CC(C)CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012540321	0	56	0.0	-82.57	396.74	7.77	-74.80
CC[NH+]1CCN(CC(C)CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012540321	1	56	0.0	-86.47	399.67	7.97	-78.50
CCN1CC[NH+](CC(C)CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012540322	0	52	0.0	-69.88	378.57	5.80	-64.08
CC[NH+]1CCN(CC(C)CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012540322	1	52	0.0	-72.17	380.37	6.01	-66.16
CCN1CC[NH+](CC(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012540323	0	53	0.0	-73.24	386.75	6.72	-66.52
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012540323	1	53	0.0	-81.59	388.66	6.97	-74.62
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012540324	0	53	0.0	-77.65	389.30	5.54	-72.11
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012540324	1	53	0.0	-80.63	391.51	5.81	-74.82
C=CCC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540325	0	53	0.0	-69.85	400.46	5.28	-64.57
C=CCC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540325	1	53	0.0	-74.34	404.35	5.59	-68.75
CCN1CC[NH+](CC(C)CNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012540326	0	56	0.0	-76.28	403.81	7.28	-69.00
CC[NH+]1CCN(CC(C)CNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012540326	1	56	0.0	-81.49	406.23	7.56	-73.93
CCN1CC[NH+](CC(C)CNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012540327	0	59	0.0	-80.05	411.14	8.30	-71.75
CC[NH+]1CCN(CC(C)CNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012540327	1	59	0.0	-79.57	415.31	8.94	-70.63
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012540328	0	53	0.0	-74.44	394.53	5.33	-69.11
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012540328	1	53	0.0	-78.11	396.77	5.60	-72.51
CCN1CC[NH+](CC(C)CNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012540329	0	52	0.0	-68.11	377.93	5.81	-62.30
CC[NH+]1CCN(CC(C)CNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012540329	1	52	0.0	-71.86	381.16	6.19	-65.67
CCCCC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540330	0	58	0.0	-70.38	430.14	6.38	-64.00
CCCCC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540330	1	58	0.0	-74.26	433.83	6.73	-67.53
CCN1CC[NH+](CC(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012540331	0	62	0.0	-62.27	467.48	10.43	-51.84
CC[NH+]1CCN(CC(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012540331	1	62	0.0	-65.91	470.08	10.76	-55.15
CCN1CC[NH+](CC(C)CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012540332	0	56	0.0	-79.76	402.92	7.17	-72.59
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012540332	1	56	0.0	-81.56	405.72	7.52	-74.04
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012540333	0	59	0.0	-58.46	422.47	8.22	-50.24
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012540333	1	59	0.0	-58.28	425.04	8.55	-49.73
CCN1CC[NH+](CC(C)CNC(=O)NC(COC)C(=O)[O-])CC1	REAL300012540334	0	53	0.0	-72.28	399.35	3.05	-69.23
CC[NH+]1CCN(CC(C)CNC(=O)NC(COC)C(=O)[O-])CC1	REAL300012540334	1	53	0.0	-76.04	402.79	3.41	-72.63
CCCCCC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540335	0	61	0.0	-70.31	451.64	7.16	-63.15
CCCCCC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540335	1	61	0.0	-74.17	455.33	7.51	-66.66
CCC1CCC(NC(=O)NCC(C)C[NH+]2CCN(CC)CC2)(C(=O)[O-])CC1	REAL300012540336	0	65	0.0	-77.28	456.63	8.29	-68.99
CCC1CCC(NC(=O)NCC(C)CN2CC[NH+](CC)CC2)(C(=O)[O-])CC1	REAL300012540336	1	65	0.0	-77.87	452.63	7.85	-70.02
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012540337	0	60	0.0	-59.01	430.90	6.56	-52.45
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012540337	1	60	0.0	-64.94	433.47	6.89	-58.05
CCN1CC[NH+](CC(C)CNC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012540338	0	59	0.0	-80.19	413.50	7.65	-72.54
CC[NH+]1CCN(CC(C)CNC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012540338	1	59	0.0	-81.97	415.85	7.90	-74.07
CCN1CC[NH+](CC(C)CNC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012540339	0	56	0.0	-62.44	404.39	7.35	-55.09
CC[NH+]1CCN(CC(C)CNC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012540339	1	56	0.0	-63.12	405.96	7.49	-55.63
CCC(C(=O)[O-])N(C(=O)NCC(C)C[NH+]1CCN(CC)CC1)C1CC1	REAL300012540340	0	59	0.0	-72.44	419.97	8.39	-64.05
CCC(C(=O)[O-])N(C(=O)NCC(C)CN1CC[NH+](CC)CC1)C1CC1	REAL300012540340	1	59	0.0	-64.82	427.50	8.80	-56.02
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012540341	0	56	0.0	-77.00	436.31	7.35	-69.65
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012540341	1	56	0.0	-78.02	436.66	7.58	-70.44
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012540342	0	56	0.0	-81.02	428.76	7.01	-74.01
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012540342	1	56	0.0	-81.73	430.16	7.26	-74.47
CCN1CC[NH+](CC(C)CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012540343	0	60	0.0	-63.64	439.12	9.34	-54.30
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012540343	1	60	0.0	-67.73	441.47	9.60	-58.13
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012540344	0	65	0.0	-74.66	468.54	8.05	-66.61
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012540344	1	65	0.0	-69.93	470.92	8.38	-61.55
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012540345	0	62	0.0	-57.95	456.95	10.23	-47.72
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012540345	1	62	0.0	-62.54	454.96	10.01	-52.53
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300012540346	0	59	0.0	-74.79	445.59	7.59	-67.20
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300012540346	1	59	0.0	-75.58	448.29	7.92	-67.66
CCN1CC[NH+](CC(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012540347	0	52	0.0	-65.36	403.91	5.51	-59.85
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012540347	1	52	0.0	-69.51	407.00	5.82	-63.69
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012540348	0	57	0.0	-72.59	415.25	6.71	-65.88
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012540348	1	57	0.0	-77.16	417.60	7.02	-70.14
CCN1CC[NH+](CC(C)CNC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300012540349	0	56	0.0	-74.22	410.36	4.48	-69.74
CC[NH+]1CCN(CC(C)CNC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300012540349	1	56	0.0	-81.43	413.45	4.77	-76.66
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCN(CC)CC1	REAL300012540350	0	59	0.0	-69.79	429.83	6.29	-63.50
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)CN1CC[NH+](CC)CC1	REAL300012540350	1	59	0.0	-71.65	433.45	6.43	-65.22
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012540351	0	58	0.0	-60.16	422.06	7.89	-52.27
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012540351	1	58	0.0	-64.89	424.91	8.00	-56.89
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012540352	0	53	0.0	-57.44	389.42	7.17	-50.27
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012540352	1	53	0.0	-63.29	391.59	7.43	-55.86
CCN1CC[NH+](CC(C)CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012540353	0	55	0.0	-60.40	425.54	7.76	-52.64
CC[NH+]1CCN(CC(C)CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012540353	1	55	0.0	-64.62	428.63	8.07	-56.55
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012540354	0	54	0.0	-73.06	393.58	3.36	-69.70
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012540354	1	54	0.0	-75.27	396.04	3.62	-71.65
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012540355	0	62	0.0	-75.35	441.13	7.12	-68.23
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012540355	1	62	0.0	-79.18	444.13	7.31	-71.87
CCN1CC[NH+](CC(C)CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012540356	0	63	0.0	-72.79	457.00	7.69	-65.10
CC[NH+]1CCN(CC(C)CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012540356	1	63	0.0	-72.41	460.38	8.05	-64.36
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012540357	0	57	0.0	-75.76	409.00	4.55	-71.21
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012540357	1	57	0.0	-78.19	411.34	4.81	-73.38
C=CCCC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540358	0	56	0.0	-70.05	421.45	6.16	-63.89
C=CCCC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540358	1	56	0.0	-74.01	425.14	6.51	-67.50
CCN1CC[NH+](CC(C)CNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012540359	0	49	0.0	-59.71	369.60	3.84	-55.87
CC[NH+]1CCN(CC(C)CNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012540359	1	49	0.0	-63.18	372.86	4.12	-59.06
CCN1CC[NH+](CC(C)CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012540360	0	62	0.0	-54.22	452.19	10.64	-43.58
CC[NH+]1CCN(CC(C)CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012540360	1	62	0.0	-60.44	453.06	10.82	-49.62
CCN1CC[NH+](CC(C)CNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012540361	0	52	0.0	-68.11	377.93	5.81	-62.30
CC[NH+]1CCN(CC(C)CNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012540361	1	52	0.0	-71.86	381.16	6.19	-65.67
CCN1CC[NH+](CC(C)CNC(=O)NC(CC)(CC)C(=O)[O-])CC1	REAL300012540362	0	58	0.0	-67.88	408.51	6.08	-61.80
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC)(CC)C(=O)[O-])CC1	REAL300012540362	1	58	0.0	-78.63	411.88	6.39	-72.24
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)CC1	REAL300012540363	0	60	0.0	-73.76	453.08	6.24	-67.52
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)CC1	REAL300012540363	1	60	0.0	-74.94	456.37	6.54	-68.40
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(CC)CC1	REAL300012540364	0	58	0.0	-59.22	418.27	8.22	-51.00
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](CC)CC1	REAL300012540364	1	58	0.0	-64.01	422.04	8.45	-55.56
CCN1CC[NH+](CC(C)CNC(=O)NC(CC)(COC)C(=O)[O-])CC1	REAL300012540365	0	59	0.0	-75.64	427.03	5.39	-70.25
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC)(COC)C(=O)[O-])CC1	REAL300012540365	1	59	0.0	-80.99	429.90	5.70	-75.29
CCN1CC[NH+](CC(C)CNC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012540366	0	62	0.0	-70.46	449.91	6.95	-63.51
CC[NH+]1CCN(CC(C)CNC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012540366	1	62	0.0	-71.71	453.73	7.19	-64.52
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012540367	0	56	0.0	-73.90	419.80	6.40	-67.50
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012540367	1	56	0.0	-76.46	422.27	6.60	-69.86
CCN1CC[NH+](CC(C)CNC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012540368	0	56	0.0	-71.51	421.65	3.88	-67.63
CC[NH+]1CCN(CC(C)CNC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012540368	1	56	0.0	-74.56	424.75	4.19	-70.37
CCN1CC[NH+](CC(C)CNC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012540369	0	61	0.0	-69.55	436.74	8.14	-61.41
CC[NH+]1CCN(CC(C)CNC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012540369	1	61	0.0	-70.47	440.42	8.61	-61.86
CCN1CC[NH+](CC(C)CNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012540370	0	52	0.0	-66.06	397.76	5.35	-60.71
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012540370	1	52	0.0	-73.33	403.18	5.47	-67.86
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)C[NH+]1CCN(CC)CC1	REAL300012540371	0	62	0.0	-82.50	438.69	9.26	-73.24
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)CN1CC[NH+](CC)CC1	REAL300012540371	1	62	0.0	-76.98	441.14	9.63	-67.35
CCCN(C(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(C)C(=O)[O-]	REAL300012540372	0	58	0.0	-65.60	417.58	7.44	-58.16
CCCN(C(=O)NCC(C)CN1CC[NH+](CC)CC1)C(C)C(=O)[O-]	REAL300012540372	1	58	0.0	-72.30	420.87	7.85	-64.45
CCN1CC[NH+](CC(C)CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012540373	0	62	0.0	-54.51	454.42	10.64	-43.87
CC[NH+]1CCN(CC(C)CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012540373	1	62	0.0	-62.00	456.78	10.90	-51.10
CCN1CC[NH+](CC(C)CNC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540374	0	62	0.0	-76.35	448.99	8.59	-67.76
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540374	1	62	0.0	-80.61	451.34	8.85	-71.76
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300012540375	0	66	0.0	-79.88	474.25	6.05	-73.83
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300012540375	1	66	0.0	-82.78	476.59	6.32	-76.46
CCN1CC[NH+](CC(C)CNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012540376	0	52	0.0	-70.16	394.57	4.96	-65.20
CC[NH+]1CCN(CC(C)CNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012540376	1	52	0.0	-72.95	397.66	5.27	-67.68
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2(OC)CCC2)C(=O)[O-])CC1	REAL300012540377	0	63	0.0	-69.79	459.69	5.90	-63.89
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2(OC)CCC2)C(=O)[O-])CC1	REAL300012540377	1	63	0.0	-77.33	463.04	6.16	-71.17
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012540378	0	60	0.0	-59.01	430.90	6.56	-52.45
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012540378	1	60	0.0	-64.94	433.47	6.89	-58.05
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012540379	0	62	0.0	-58.98	439.86	8.93	-50.05
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012540379	1	62	0.0	-62.27	442.05	9.20	-53.07
CCN1CC[NH+](CC(C)CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012540380	0	62	0.0	-77.59	430.20	7.31	-70.28
CC[NH+]1CCN(CC(C)CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012540380	1	62	0.0	-78.63	434.06	7.77	-70.86
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012540381	0	60	0.0	-77.07	453.19	6.22	-70.85
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012540381	1	60	0.0	-80.81	456.08	6.46	-74.35
CCN1CC[NH+](CC(C)CNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012540382	0	55	0.0	-67.11	398.70	5.34	-61.77
CC[NH+]1CCN(CC(C)CNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012540382	1	55	0.0	-72.22	401.80	5.63	-66.59
CCN1CC[NH+](CC(C)CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012540383	0	57	0.0	-65.85	421.56	7.53	-58.32
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012540383	1	57	0.0	-66.62	423.31	7.67	-58.95
CCN1CC[NH+](CC(C)CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012540384	0	53	0.0	-73.90	400.56	6.59	-67.31
CC[NH+]1CCN(CC(C)CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012540384	1	53	0.0	-74.76	402.98	6.92	-67.84
CCN1CC[NH+](CC(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012540385	0	60	0.0	-76.40	453.08	6.23	-70.17
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012540385	1	60	0.0	-81.14	453.23	6.23	-74.91
CCN1CC[NH+](CC(C)CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012540386	0	52	0.0	-69.67	378.15	5.90	-63.77
CC[NH+]1CCN(CC(C)CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012540386	1	52	0.0	-69.16	381.76	6.24	-62.92
CCN1CC[NH+](CC(C)CNC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])CC1	REAL300012540387	0	62	0.0	-76.11	452.73	8.58	-67.53
CC[NH+]1CCN(CC(C)CNC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])CC1	REAL300012540387	1	62	0.0	-78.30	455.22	9.06	-69.24
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012540388	0	65	0.0	-78.59	445.50	7.92	-70.67
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012540388	1	65	0.0	-82.84	447.83	8.20	-74.64
CCN1CC[NH+](CC(C)CNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012540389	0	54	0.0	-84.95	394.12	7.39	-77.56
CC[NH+]1CCN(CC(C)CNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012540389	1	54	0.0	-80.72	396.44	7.87	-72.85
CCN1CC[NH+](CC(C)CNC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300012540390	0	60	0.0	-79.07	437.34	6.28	-72.79
CC[NH+]1CCN(CC(C)CNC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300012540390	1	60	0.0	-83.57	439.55	6.54	-77.03
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012540391	0	63	0.0	-72.50	459.35	5.75	-66.75
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012540391	1	63	0.0	-74.73	462.21	6.02	-68.71
CCN1CC[NH+](CC(C)CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012540392	0	58	0.0	-72.92	417.23	5.96	-66.96
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012540392	1	58	0.0	-75.50	420.52	6.30	-69.20
C=C(Cl)CC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540393	0	53	0.0	-71.46	417.25	5.87	-65.59
C=C(Cl)CC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540393	1	53	0.0	-71.38	419.54	6.25	-65.13
C=C(C)CC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540394	0	56	0.0	-71.21	421.57	6.00	-65.21
C=C(C)CC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540394	1	56	0.0	-75.16	422.65	6.43	-68.73
CCN1CC[NH+](CC(C)CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012540395	0	57	0.0	-86.84	408.60	8.19	-78.65
CC[NH+]1CCN(CC(C)CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012540395	1	57	0.0	-89.99	410.94	8.45	-81.54
CCN1CC[NH+](CC(C)CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012540396	0	53	0.0	-72.89	399.63	6.85	-66.04
CC[NH+]1CCN(CC(C)CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012540396	1	53	0.0	-72.47	401.97	7.20	-65.27
CCN1CC[NH+](CC(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012540397	0	53	0.0	-77.63	393.39	6.82	-70.81
CC[NH+]1CCN(CC(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012540397	1	53	0.0	-78.62	395.63	7.10	-71.52
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCN(CC)CC2)C1	REAL300012540398	0	54	0.0	-79.43	401.01	6.82	-72.61
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)CN2CC[NH+](CC)CC2)C1	REAL300012540398	1	54	0.0	-80.09	403.21	7.11	-72.98
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012540399	0	63	0.0	-72.81	459.44	5.63	-67.18
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012540399	1	63	0.0	-74.18	458.08	6.66	-67.52
CCN1CC[NH+](CC(C)CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012540400	0	58	0.0	-73.46	426.75	6.14	-67.32
CC[NH+]1CCN(CC(C)CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012540400	1	58	0.0	-74.19	429.21	6.54	-67.65
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012540401	0	60	0.0	-76.74	431.98	4.70	-72.04
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012540401	1	60	0.0	-80.42	434.89	4.89	-75.53
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540402	0	56	0.0	-73.96	423.58	6.94	-67.02
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540402	1	56	0.0	-76.54	425.92	7.20	-69.34
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012540403	0	56	0.0	-73.90	419.80	6.40	-67.50
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012540403	1	56	0.0	-76.46	422.27	6.60	-69.86
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012540404	0	55	0.0	-71.28	432.19	5.03	-66.25
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012540404	1	55	0.0	-72.43	434.88	5.37	-67.06
CCN1CC[NH+](CC(C)CNC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012540405	0	64	0.0	-71.03	470.04	7.66	-63.37
CC[NH+]1CCN(CC(C)CNC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012540405	1	64	0.0	-74.61	473.13	7.95	-66.66
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012540406	0	60	0.0	-72.02	443.92	5.27	-66.75
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012540406	1	60	0.0	-79.58	447.26	5.51	-74.07
CCN1CC[NH+](CC(C)CNC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012540407	0	53	0.0	-67.63	410.77	5.26	-62.37
CC[NH+]1CCN(CC(C)CNC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012540407	1	53	0.0	-72.97	414.77	5.48	-67.49
CCN1CC[NH+](CC(C)CNC(=O)N[C@@H](COC)C(=O)[O-])CC1	REAL300012540408	0	53	0.0	-74.63	399.91	3.08	-71.55
CC[NH+]1CCN(CC(C)CNC(=O)N[C@@H](COC)C(=O)[O-])CC1	REAL300012540408	1	53	0.0	-75.68	402.47	3.46	-72.22
CC[C@H](NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540409	0	52	0.0	-73.15	388.06	4.85	-68.30
CC[C@H](NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540409	1	52	0.0	-74.88	390.39	5.10	-69.78
CCN1CC[NH+](CC(C)CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012540410	0	59	0.0	-73.52	452.90	7.93	-65.59
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012540410	1	59	0.0	-68.74	455.56	8.25	-60.49
CCC(C)CC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540411	0	61	0.0	-71.42	444.91	6.77	-64.65
CCC(C)CC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540411	1	61	0.0	-75.20	447.28	7.21	-67.99
C=CCCCC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540412	0	59	0.0	-69.86	442.95	6.94	-62.92
C=CCCCC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540412	1	59	0.0	-74.65	446.88	7.23	-67.42
CCN1CC[NH+](CC(C)CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012540413	0	59	0.0	-71.98	452.01	7.93	-64.05
CC[NH+]1CCN(CC(C)CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012540413	1	59	0.0	-74.49	455.18	8.20	-66.29
CCN1CC[NH+](CC(C)CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012540414	0	54	0.0	-80.49	397.96	7.87	-72.62
CC[NH+]1CCN(CC(C)CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012540414	1	54	0.0	-76.12	399.86	8.27	-67.85
CCN1CC[NH+](CC(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540415	0	59	0.0	-74.80	432.01	7.69	-67.11
CC[NH+]1CCN(CC(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540415	1	59	0.0	-78.13	434.35	7.96	-70.17
CCN1CC[NH+](CC(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012540416	0	53	0.0	-73.87	387.48	6.40	-67.47
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012540416	1	53	0.0	-83.85	389.41	6.66	-77.19
CCCC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540417	0	55	0.0	-71.12	409.48	5.58	-65.54
CCCC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540417	1	55	0.0	-74.73	412.57	5.90	-68.83
CCN1CC[NH+](CC(C)CNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300012540418	0	55	0.0	-73.27	403.18	5.45	-67.82
CC[NH+]1CCN(CC(C)CNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300012540418	1	55	0.0	-76.53	401.84	5.51	-71.02
CCN1CC[NH+](CC(C)CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012540419	0	57	0.0	-80.07	407.40	8.15	-71.92
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012540419	1	57	0.0	-88.88	410.41	8.61	-80.27
CCN(C(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(C)(C)C(=O)[O-]	REAL300012540420	0	58	0.0	-69.90	412.18	7.57	-62.33
CCN(C(=O)NCC(C)CN1CC[NH+](CC)CC1)C(C)(C)C(=O)[O-]	REAL300012540420	1	58	0.0	-78.70	415.68	7.91	-70.79
CCCN(C(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(C)C(=O)[O-]	REAL300012540421	0	58	0.0	-65.60	417.58	7.44	-58.16
CCCN(C(=O)NCC(C)CN1CC[NH+](CC)CC1)C(C)C(=O)[O-]	REAL300012540421	1	58	0.0	-72.30	420.87	7.85	-64.45
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012540422	0	52	0.0	-64.79	400.51	7.13	-57.66
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012540422	1	52	0.0	-69.99	403.61	7.44	-62.55
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012540423	0	52	0.0	-64.79	400.51	7.13	-57.66
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012540423	1	52	0.0	-69.99	403.61	7.44	-62.55
CCN1CC[NH+](CC(C)CNC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012540424	0	55	0.0	-70.09	393.23	6.70	-63.39
CC[NH+]1CCN(CC(C)CNC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012540424	1	55	0.0	-78.59	396.41	7.01	-71.58
CCN1CC[NH+](CC(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012540425	0	53	0.0	-73.24	386.75	6.72	-66.52
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012540425	1	53	0.0	-81.59	388.66	6.97	-74.62
CCN1CC[NH+](CC(C)CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012540426	0	65	0.0	-61.97	474.47	5.14	-56.83
CC[NH+]1CCN(CC(C)CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012540426	1	65	0.0	-62.92	476.67	5.39	-57.53
CCN1CC[NH+](CC(C)CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012540427	0	54	0.0	-82.11	400.36	2.94	-79.17
CC[NH+]1CCN(CC(C)CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012540427	1	54	0.0	-85.34	400.65	3.28	-82.06
CCN1CC[NH+](CC(C)CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])CC1	REAL300012540428	0	60	0.0	-58.78	442.70	9.68	-49.10
CC[NH+]1CCN(CC(C)CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])CC1	REAL300012540428	1	60	0.0	-63.80	444.35	9.83	-53.97
CCC[C@@H](NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540429	0	55	0.0	-73.51	409.31	5.67	-67.84
CCC[C@@H](NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540429	1	55	0.0	-68.77	412.00	6.00	-62.77
CCN1CC[NH+](CC(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540430	0	56	0.0	-74.90	423.99	6.99	-67.91
CC[NH+]1CCN(CC(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540430	1	56	0.0	-71.42	426.93	7.24	-64.18
CCN1CC[NH+](CC(C)CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012540431	0	61	0.0	-69.77	464.02	6.90	-62.87
CC[NH+]1CCN(CC(C)CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012540431	1	61	0.0	-76.26	467.36	7.15	-69.11
C=CCCC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540432	0	56	0.0	-70.05	421.45	6.16	-63.89
C=CCCC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540432	1	56	0.0	-74.01	425.14	6.51	-67.50
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012540433	0	55	0.0	-76.69	432.75	4.91	-71.78
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012540433	1	55	0.0	-77.31	435.77	5.20	-72.11
CC[NH+]1CCN(CC(C)CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012540434	0	56	0.0	-84.60	419.37	4.63	-79.97
CCN1CC[NH+](CC(C)CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012540434	1	56	0.0	-83.53	417.05	4.29	-79.24
CCN1CC[NH+](CC(C)CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012540435	0	57	0.0	-74.19	415.07	6.00	-68.19
CC[NH+]1CCN(CC(C)CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012540435	1	57	0.0	-72.10	417.25	6.39	-65.71
CCN1CC[NH+](CC(C)CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012540436	0	56	0.0	-78.77	402.89	7.18	-71.59
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012540436	1	56	0.0	-83.51	406.25	7.55	-75.96
CCN1CC[NH+](CC(C)CNC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300012540437	0	55	0.0	-72.20	399.18	5.14	-67.06
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300012540437	1	55	0.0	-75.34	406.93	5.65	-69.69
CCN1CC[NH+](CC(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540438	0	56	0.0	-74.00	423.58	6.94	-67.06
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012540438	1	56	0.0	-78.83	423.70	6.94	-71.89
CCN1CC[NH+](CC(C)CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012540439	0	59	0.0	-73.57	438.02	6.29	-67.28
CC[NH+]1CCN(CC(C)CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012540439	1	59	0.0	-72.64	436.35	6.60	-66.04
CCN1CC[NH+](CC(C)CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012540440	0	52	0.0	-69.67	378.15	5.90	-63.77
CC[NH+]1CCN(CC(C)CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012540440	1	52	0.0	-69.16	381.76	6.24	-62.92
CCC[C@H](NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540441	0	55	0.0	-73.13	409.55	5.60	-67.53
CCC[C@H](NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540441	1	55	0.0	-74.82	411.39	5.83	-68.99
CCN(C(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(C)C(=O)[O-]	REAL300012540442	0	55	0.0	-68.41	399.26	7.35	-61.06
CCN(C(=O)NCC(C)CN1CC[NH+](CC)CC1)C(C)C(=O)[O-]	REAL300012540442	1	55	0.0	-70.32	398.27	6.86	-63.46
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012540443	0	59	0.0	-58.46	422.47	8.22	-50.24
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012540443	1	59	0.0	-58.28	425.04	8.55	-49.73
CCN1CC[NH+](CC(C)CNC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300012540444	0	55	0.0	-71.11	399.20	6.30	-64.81
CC[NH+]1CCN(CC(C)CNC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300012540444	1	55	0.0	-78.09	403.35	6.88	-71.21
CC[C@H](C)[C@H](NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540445	0	58	0.0	-74.03	419.29	5.80	-68.23
CC[C@H](C)[C@H](NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540445	1	58	0.0	-74.54	421.27	6.18	-68.36
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCN(CC)CC1	REAL300012540446	0	55	0.0	-70.14	398.43	6.98	-63.16
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)CN1CC[NH+](CC)CC1	REAL300012540446	1	55	0.0	-70.42	401.35	7.14	-63.28
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012540447	0	57	0.0	-82.21	419.72	2.74	-79.47
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012540447	1	57	0.0	-82.43	423.79	3.12	-79.31
CCN1CC[NH+](CC(C)CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012540448	0	65	0.0	-75.56	471.52	6.15	-69.41
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012540448	1	65	0.0	-77.78	473.84	6.37	-71.41
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012540449	0	59	0.0	-77.62	424.12	6.58	-71.04
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012540449	1	59	0.0	-79.96	423.65	6.61	-73.35
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012540450	0	62	0.0	-77.45	432.13	7.20	-70.25
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012540450	1	62	0.0	-78.83	436.27	7.64	-71.19
CCN1CC[NH+](CC(C)CNC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012540451	0	56	0.0	-71.51	421.65	3.88	-67.63
CC[NH+]1CCN(CC(C)CNC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012540451	1	56	0.0	-74.56	424.75	4.19	-70.37
CCN1CC[NH+](CC(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012540452	0	62	0.0	-68.04	455.48	9.85	-58.19
CC[NH+]1CCN(CC(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012540452	1	62	0.0	-68.03	458.25	10.21	-57.82
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012540453	0	59	0.0	-78.26	425.38	7.25	-71.01
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012540453	1	59	0.0	-79.04	428.08	7.58	-71.46
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012540454	0	56	0.0	-74.62	409.64	6.19	-68.43
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012540454	1	56	0.0	-75.31	418.99	6.33	-68.98
CCN1CC[NH+](CC(C)CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012540455	0	65	0.0	-76.32	472.40	6.07	-70.25
CC[NH+]1CCN(CC(C)CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012540455	1	65	0.0	-70.66	474.46	6.50	-64.16
CCN1CC[NH+](CC(C)CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012540456	0	54	0.0	-86.39	397.36	3.17	-83.22
CC[NH+]1CCN(CC(C)CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012540456	1	54	0.0	-89.69	399.85	3.49	-86.20
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012540457	0	57	0.0	-71.61	422.59	3.98	-67.63
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012540457	1	57	0.0	-77.06	417.17	4.14	-72.92
CCN1CC[NH+](CC(C)CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012540458	0	57	0.0	-79.84	408.29	7.84	-72.00
CC[NH+]1CCN(CC(C)CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012540458	1	57	0.0	-86.38	409.00	7.95	-78.43
CCN1CC[NH+](CC(C)CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012540459	0	55	0.0	-80.77	401.44	5.57	-75.20
CC[NH+]1CCN(CC(C)CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012540459	1	55	0.0	-75.83	403.71	6.28	-69.55
CCN1CC[NH+](CC(C)CNC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012540460	0	59	0.0	-77.03	418.87	8.55	-68.48
CC[NH+]1CCN(CC(C)CNC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012540460	1	59	0.0	-80.21	421.37	9.04	-71.17
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012540461	0	62	0.0	-73.44	460.56	8.16	-65.28
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012540461	1	62	0.0	-75.25	465.90	8.61	-66.64
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012540462	0	63	0.0	-74.07	456.27	8.65	-65.42
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012540462	1	63	0.0	-74.26	459.05	9.00	-65.26
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012540463	0	56	0.0	-69.26	408.11	5.71	-63.55
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012540463	1	56	0.0	-77.46	410.06	6.06	-71.40
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012540464	0	62	0.0	-75.35	441.13	7.12	-68.23
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012540464	1	62	0.0	-79.18	444.13	7.31	-71.87
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012540465	0	56	0.0	-69.26	408.11	5.71	-63.55
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012540465	1	56	0.0	-77.46	410.06	6.06	-71.40
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012540466	0	56	0.0	-74.24	402.90	6.87	-67.37
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012540466	1	56	0.0	-81.32	410.85	7.39	-73.93
C=CCC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540467	0	53	0.0	-69.85	400.46	5.28	-64.57
C=CCC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540467	1	53	0.0	-74.34	404.35	5.59	-68.75
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012540468	0	63	0.0	-77.71	462.40	6.02	-71.69
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012540468	1	63	0.0	-80.06	464.44	6.31	-73.75
CCN1CC[NH+](CC(C)CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012540469	0	63	0.0	-53.95	432.74	8.44	-45.51
CC[NH+]1CCN(CC(C)CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012540469	1	63	0.0	-56.99	437.03	8.90	-48.09
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012540470	0	63	0.0	-77.74	438.09	5.86	-71.88
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012540470	1	63	0.0	-81.09	440.44	6.13	-74.96
CCN1CC[NH+](CC(C)CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012540471	0	57	0.0	-56.60	409.18	7.62	-48.98
CC[NH+]1CCN(CC(C)CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012540471	1	57	0.0	-62.27	412.49	8.14	-54.13
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012540472	0	63	0.0	-74.07	456.27	8.65	-65.42
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012540472	1	63	0.0	-74.26	459.05	9.00	-65.26
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012540473	0	59	0.0	-71.17	452.82	7.91	-63.26
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012540473	1	59	0.0	-77.16	455.68	8.27	-68.89
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300012540474	0	57	0.0	-80.56	422.64	4.52	-76.04
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300012540474	1	57	0.0	-84.13	424.98	4.79	-79.34
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012540475	0	53	0.0	-76.48	397.61	5.58	-70.90
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012540475	1	53	0.0	-78.57	397.12	5.61	-72.96
CCN1CC[NH+](CC(C)CNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)CC1	REAL300012540476	0	57	0.0	-75.29	421.22	4.83	-70.46
CC[NH+]1CCN(CC(C)CNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)CC1	REAL300012540476	1	57	0.0	-78.06	423.27	4.68	-73.38
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012540477	0	56	0.0	-74.12	428.51	6.72	-67.40
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012540477	1	56	0.0	-68.38	430.97	6.59	-61.79
CCN1CC[NH+](CC(C)CNC(=O)N2CCCC2(CC)C(=O)[O-])CC1	REAL300012540478	0	59	0.0	-79.47	419.67	8.43	-71.04
CC[NH+]1CCN(CC(C)CNC(=O)N2CCCC2(CC)C(=O)[O-])CC1	REAL300012540478	1	59	0.0	-76.75	419.64	8.88	-67.87
CCN1CC[NH+](CC(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012540479	0	52	0.0	-65.36	403.91	5.51	-59.85
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012540479	1	52	0.0	-69.51	407.00	5.82	-63.69
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012540480	0	60	0.0	-70.61	441.78	4.83	-65.78
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012540480	1	60	0.0	-74.73	439.99	4.88	-69.85
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012540481	0	51	0.0	-72.19	380.00	2.59	-69.60
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012540481	1	51	0.0	-74.27	382.50	2.85	-71.42
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012540482	0	56	0.0	-74.37	438.36	6.90	-67.47
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012540482	1	56	0.0	-77.94	441.38	7.18	-70.76
CCN1CC[NH+](CC(C)CNC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012540483	0	58	0.0	-70.80	408.85	5.88	-64.92
CC[NH+]1CCN(CC(C)CNC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012540483	1	58	0.0	-78.40	411.94	6.19	-72.21
CCN1CC[NH+](CC(C)CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012540484	0	54	0.0	-83.42	393.29	7.75	-75.67
CC[NH+]1CCN(CC(C)CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012540484	1	54	0.0	-87.47	396.25	8.12	-79.35
CCN1CC[NH+](CC(C)CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012540485	0	57	0.0	-75.11	410.02	7.47	-67.64
CC[NH+]1CCN(CC(C)CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012540485	1	57	0.0	-85.55	411.93	7.73	-77.82
CCN1CC[NH+](CC(C)CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012540486	0	62	0.0	-54.51	454.42	10.64	-43.87
CC[NH+]1CCN(CC(C)CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012540486	1	62	0.0	-62.00	456.78	10.90	-51.10
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012540487	0	65	0.0	-74.66	468.54	8.05	-66.61
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012540487	1	65	0.0	-69.93	470.92	8.38	-61.55
CCN1CC[NH+](CC(C)CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012540488	0	62	0.0	-74.17	469.46	8.62	-65.55
CC[NH+]1CCN(CC(C)CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012540488	1	62	0.0	-74.38	471.32	8.97	-65.41
CCN1CC[NH+](CC(C)CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012540489	0	62	0.0	-74.63	469.22	8.69	-65.94
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012540489	1	62	0.0	-69.80	471.91	9.03	-60.77
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012540490	0	63	0.0	-75.15	448.50	7.51	-67.64
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012540490	1	63	0.0	-79.85	452.68	7.76	-72.09
CCN1CC[NH+](CC(C)CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012540491	0	65	0.0	-74.66	468.40	8.05	-66.61
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012540491	1	65	0.0	-69.39	470.84	8.44	-60.95
CCN1CC[NH+](CC(C)CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012540492	0	65	0.0	-73.77	468.38	8.05	-65.72
CC[NH+]1CCN(CC(C)CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012540492	1	65	0.0	-75.26	470.49	8.37	-66.89
CCN1CC[NH+](CC(C)CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012540493	0	63	0.0	-57.94	449.58	8.67	-49.27
CC[NH+]1CCN(CC(C)CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012540493	1	63	0.0	-64.26	451.00	8.98	-55.28
CCN1CC[NH+](CC(C)CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012540494	0	63	0.0	-78.54	443.09	8.37	-70.17
CC[NH+]1CCN(CC(C)CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012540494	1	63	0.0	-85.83	446.40	8.76	-77.07
C=CCSCC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540495	0	57	0.0	-67.62	445.05	6.72	-60.90
C=CCSCC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540495	1	57	0.0	-72.98	449.05	6.93	-66.05
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)C[NH+]1CCN(CC)CC1	REAL300012540496	0	58	0.0	-69.48	414.77	8.26	-61.22
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)CN1CC[NH+](CC)CC1	REAL300012540496	1	58	0.0	-70.93	415.78	7.93	-63.00
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2(OC)CCC2)CC1	REAL300012540497	0	60	0.0	-70.39	434.99	4.47	-65.92
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2(OC)CCC2)CC1	REAL300012540497	1	60	0.0	-71.36	437.62	4.81	-66.55
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012540498	0	56	0.0	-73.03	423.13	6.45	-66.58
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012540498	1	56	0.0	-77.36	421.63	6.55	-70.81
CCN1CC[NH+](CC(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012540500	0	53	0.0	-77.63	393.39	6.82	-70.81
CC[NH+]1CCN(CC(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012540500	1	53	0.0	-78.62	395.63	7.10	-71.52
CCN1CC[NH+](CC(C)CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012540501	0	55	0.0	-57.97	402.99	7.58	-50.39
CC[NH+]1CCN(CC(C)CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012540501	1	55	0.0	-61.67	405.24	7.84	-53.83
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012540502	0	59	0.0	-81.85	422.95	7.39	-74.46
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012540502	1	59	0.0	-83.01	421.47	7.96	-75.05
CCN1CC[NH+](CC(C)CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012540503	0	63	0.0	-82.17	443.34	9.41	-72.76
CC[NH+]1CCN(CC(C)CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012540503	1	63	0.0	-79.53	446.06	9.70	-69.83
CCN1CC[NH+](CC(C)CNC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300012540504	0	61	0.0	-70.54	447.71	6.89	-63.65
CC[NH+]1CCN(CC(C)CNC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300012540504	1	61	0.0	-74.42	451.39	7.25	-67.17
CCN1CC[NH+](CC(C)CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012540505	0	60	0.0	-52.55	433.60	8.19	-44.36
CC[NH+]1CCN(CC(C)CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012540505	1	60	0.0	-64.85	437.21	8.51	-56.34
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012540506	0	60	0.0	-70.61	441.78	4.83	-65.78
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012540506	1	60	0.0	-74.73	439.99	4.88	-69.85
CCN1CC[NH+](CC(C)CNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])CC1	REAL300012540507	0	57	0.0	-71.71	430.00	7.89	-63.82
CC[NH+]1CCN(CC(C)CNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])CC1	REAL300012540507	1	57	0.0	-79.85	433.40	7.97	-71.88
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012540508	0	60	0.0	-76.10	426.27	7.44	-68.66
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012540508	1	60	0.0	-81.45	425.75	7.95	-73.50
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012540509	0	57	0.0	-75.74	410.47	6.76	-68.98
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012540509	1	57	0.0	-83.00	413.56	7.07	-75.93
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012540510	0	60	0.0	-77.16	431.81	7.17	-69.99
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012540510	1	60	0.0	-72.74	434.48	7.51	-65.23
CCN1CC[NH+](CC(C)CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012540511	0	62	0.0	-73.39	455.56	9.88	-63.51
CC[NH+]1CCN(CC(C)CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012540511	1	62	0.0	-75.88	459.42	10.08	-65.80
CCN1CC[NH+](CC(C)CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012540512	0	66	0.0	-57.72	462.77	9.21	-48.51
CC[NH+]1CCN(CC(C)CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012540512	1	66	0.0	-61.17	465.77	9.50	-51.67
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012540513	0	59	0.0	-74.66	424.21	6.42	-68.24
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012540513	1	59	0.0	-78.31	426.60	6.63	-71.68
CCN1CC[NH+](CC(C)CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300012540514	0	56	0.0	-73.78	417.57	4.08	-69.70
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300012540514	1	56	0.0	-75.65	420.75	4.42	-71.23
CCN1CC[NH+](CC(C)CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012540515	0	56	0.0	-80.35	410.91	6.52	-73.83
CC[NH+]1CCN(CC(C)CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012540515	1	56	0.0	-84.26	413.40	6.85	-77.41
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012540516	0	59	0.0	-59.68	444.98	9.65	-50.03
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012540516	1	59	0.0	-62.93	447.32	9.91	-53.02
CCN1CC[NH+](CC(C)CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012540517	0	59	0.0	-57.84	426.67	7.54	-50.30
CC[NH+]1CCN(CC(C)CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012540517	1	59	0.0	-58.14	429.37	7.87	-50.27
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012540518	0	56	0.0	-79.85	409.01	7.90	-71.95
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012540518	1	56	0.0	-82.41	411.94	8.18	-74.23
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012540519	0	53	0.0	-82.34	398.47	6.89	-75.45
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012540519	1	53	0.0	-82.28	401.18	7.21	-75.07
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012540520	0	59	0.0	-71.17	452.82	7.91	-63.26
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012540520	1	59	0.0	-77.16	455.68	8.27	-68.89
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012540521	0	56	0.0	-72.78	437.21	6.86	-65.92
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012540521	1	56	0.0	-74.55	440.00	7.09	-67.46
CCN1CC[NH+](CC(C)CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012540522	0	56	0.0	-72.00	416.00	7.41	-64.59
CC[NH+]1CCN(CC(C)CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012540522	1	56	0.0	-73.91	418.34	7.67	-66.24
CCN1CC[NH+](CC(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012540523	0	56	0.0	-72.78	437.21	6.86	-65.92
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012540523	1	56	0.0	-74.55	440.00	7.09	-67.46
CCN1CC[NH+](CC(C)CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012540524	0	60	0.0	-81.58	424.67	7.79	-73.79
CC[NH+]1CCN(CC(C)CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012540524	1	60	0.0	-86.54	426.29	8.12	-78.42
CCN1CC[NH+](CC(C)CNC(=O)NC(CCCOC)C(=O)[O-])CC1	REAL300012540525	0	59	0.0	-70.31	443.15	4.65	-65.66
CC[NH+]1CCN(CC(C)CNC(=O)NC(CCCOC)C(=O)[O-])CC1	REAL300012540525	1	59	0.0	-74.47	446.24	4.97	-69.50
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCN(CC)CC1	REAL300012540526	0	58	0.0	-69.19	419.90	7.57	-61.62
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)CN1CC[NH+](CC)CC1	REAL300012540526	1	58	0.0	-70.45	423.54	7.93	-62.52
CCOCC(NC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300012540527	0	56	0.0	-73.07	421.69	4.04	-69.03
CCOCC(NC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012540527	1	56	0.0	-76.43	424.65	4.39	-72.04
CCN1CC[NH+](CC(C)CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012540528	0	61	0.0	-68.45	438.62	7.26	-61.19
CC[NH+]1CCN(CC(C)CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012540528	1	61	0.0	-77.27	441.63	7.52	-69.75
CCN1CC[NH+](CC(C)CNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012540529	0	60	0.0	-76.13	439.29	5.40	-70.73
CC[NH+]1CCN(CC(C)CNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012540529	1	60	0.0	-71.54	439.48	5.33	-66.21
CCN1CC[NH+](CC(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012540530	0	60	0.0	-76.39	442.17	8.09	-68.30
CC[NH+]1CCN(CC(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012540530	1	60	0.0	-80.87	444.51	8.35	-72.52
CCN1CC[NH+](CC(C)CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012540531	0	57	0.0	-81.05	408.56	6.15	-74.90
CC[NH+]1CCN(CC(C)CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012540531	1	57	0.0	-84.74	412.64	6.73	-78.01
CCN1CC[NH+](CC(C)CNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012540532	0	53	0.0	-72.32	408.00	5.33	-66.99
CC[NH+]1CCN(CC(C)CNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012540532	1	53	0.0	-74.90	411.93	5.63	-69.27
CCN1CC[NH+](CC(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012540533	0	56	0.0	-61.05	421.18	7.55	-53.50
CC[NH+]1CCN(CC(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012540533	1	56	0.0	-63.86	428.99	8.05	-55.81
CCN1CC[NH+](CC(C)CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012540534	0	52	0.0	-69.88	378.57	5.80	-64.08
CC[NH+]1CCN(CC(C)CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012540534	1	52	0.0	-72.17	380.37	6.01	-66.16
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCN(CC)CC2)C1	REAL300012540535	0	60	0.0	-76.22	441.07	6.44	-69.78
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)CN2CC[NH+](CC)CC2)C1	REAL300012540535	1	60	0.0	-83.78	444.87	7.07	-76.71
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])OC1=CC=CC=C1	REAL300012540983	0	57	0.0	-59.80	433.47	7.43	-52.37
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC3=C(CCCC3)S2)CC1	REAL300012542270	0	57	0.0	-64.21	445.07	9.14	-55.07
CC(O)C1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012542558	0	57	0.0	-63.98	441.89	5.69	-58.29
CC(C)C[C@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542687	0	62	0.0	-79.74	466.15	8.87	-70.87
C=CC(C)C(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542688	0	60	0.0	-81.06	453.84	8.37	-72.69
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542689	0	59	0.0	-66.86	447.70	10.06	-56.80
CC(C)C(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542690	0	59	0.0	-80.38	445.31	8.07	-72.31
O=C([O-])C1CCCCN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542691	0	60	0.0	-90.24	437.85	10.64	-79.60
O=C([O-])C1CCCN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542692	0	57	0.0	-86.20	427.02	9.41	-76.79
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCC1	REAL300012542693	0	60	0.0	-84.11	442.69	8.57	-75.54
O=C([O-])CNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542694	0	50	0.0	-70.05	385.65	5.65	-64.40
CCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542695	0	56	0.0	-79.31	427.44	7.51	-71.80
CC(C)C(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542696	0	59	0.0	-80.38	445.31	8.07	-72.31
CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542697	0	53	0.0	-79.20	404.39	8.33	-70.87
CC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542698	0	53	0.0	-70.44	406.28	6.50	-63.94
CCC(C)C(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542699	0	62	0.0	-79.81	457.85	8.44	-71.37
CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542700	0	53	0.0	-79.20	404.39	8.33	-70.87
O=C([O-])C1CCCCN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542701	0	60	0.0	-90.24	437.85	10.64	-79.60
CCCC(C)(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542702	0	62	0.0	-80.01	453.91	8.63	-71.38
CC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542703	0	59	0.0	-67.84	436.32	9.59	-58.25
O=C([O-])CN(C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012542704	0	57	0.0	-67.86	429.46	9.83	-58.03
C=CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542705	0	57	0.0	-66.71	439.01	9.87	-56.84
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542706	0	62	0.0	-66.21	462.11	10.37	-55.84
CC(C)(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542707	0	56	0.0	-68.97	419.01	6.88	-62.09
CC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)(C(=O)[O-])C1CC1	REAL300012542708	0	60	0.0	-81.46	441.90	8.62	-72.84
CC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542709	0	59	0.0	-67.84	436.32	9.59	-58.25
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542710	0	59	0.0	-66.86	447.70	10.06	-56.80
CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542711	0	56	0.0	-79.36	426.20	9.31	-70.05
CC[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542712	0	62	0.0	-80.93	459.50	8.46	-72.47
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCC1	REAL300012542713	0	60	0.0	-84.11	442.69	8.57	-75.54
CCC(C)(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542714	0	59	0.0	-79.76	432.41	7.88	-71.88
C[C@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542715	0	53	0.0	-70.43	406.28	6.50	-63.93
CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542716	0	56	0.0	-79.36	426.20	9.31	-70.05
C[C@@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542717	0	53	0.0	-70.55	406.44	6.48	-64.07
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300012542718	0	54	0.0	-85.51	412.59	7.69	-77.82
O=C([O-])C1COCCN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542719	0	58	0.0	-86.64	429.52	8.01	-78.63
O=C([O-])C(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012542720	0	57	0.0	-80.41	432.50	7.97	-72.44
COCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542721	0	60	0.0	-67.60	457.57	8.49	-59.11
O=C([O-])[C@H]1CCCN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542722	0	57	0.0	-86.82	427.78	9.10	-77.72
O=C([O-])[C@H]1CCCCN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542723	0	60	0.0	-88.88	437.89	10.43	-78.45
C[C@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542724	0	56	0.0	-75.52	419.30	8.56	-66.96
O=C([O-])[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542725	0	57	0.0	-86.20	426.52	9.37	-76.83
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC1	REAL300012542726	0	57	0.0	-84.77	429.51	8.20	-76.57
C=CCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542727	0	57	0.0	-79.50	441.58	7.94	-71.56
CC1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542728	0	60	0.0	-85.97	444.10	9.96	-76.01
O=C([O-])C(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012542729	0	57	0.0	-80.41	432.50	7.97	-72.44
CC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542730	0	56	0.0	-76.07	418.22	8.50	-67.57
CCCCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542731	0	62	0.0	-79.22	470.44	9.05	-70.17
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542732	0	60	0.0	-85.94	444.10	9.94	-76.00
COCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542733	0	57	0.0	-81.05	439.64	5.72	-75.33
CC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012542734	0	60	0.0	-69.15	444.60	10.01	-59.14
COCC(C)(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542735	0	60	0.0	-84.07	450.65	7.16	-76.91
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542736	0	62	0.0	-66.21	462.11	10.37	-55.84
O=C([O-])CN(C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300012542737	0	57	0.0	-67.86	429.46	9.83	-58.03
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCOC1	REAL300012542738	0	58	0.0	-79.45	433.91	6.00	-73.45
C=CCCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542739	0	60	0.0	-78.98	461.75	8.85	-70.13
O=C([O-])C(CF)NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542740	0	53	0.0	-68.25	409.90	6.52	-61.73
CC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542741	0	56	0.0	-76.07	418.22	8.50	-67.57
CCC(CC)(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542742	0	62	0.0	-80.88	449.08	8.76	-72.12
CCC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542743	0	62	0.0	-64.99	459.51	10.76	-54.23
O=C([O-])C(CC1CC1)NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542744	0	60	0.0	-79.82	459.87	9.06	-70.76
COCCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542745	0	60	0.0	-79.48	461.11	6.58	-72.90
O=C([O-])C(CC(F)F)NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542746	0	56	0.0	-74.74	438.06	8.03	-66.71
CCCN(C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012542747	0	62	0.0	-62.24	458.73	10.89	-51.35
O=C([O-])C(CCF)NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542748	0	56	0.0	-78.50	434.86	7.64	-70.86
CC(CCF)(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542749	0	59	0.0	-76.65	439.00	8.01	-68.64
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542750	0	56	0.0	-76.14	418.36	8.56	-67.58
O=C([O-])C12CC(C1)CN2C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542751	0	58	0.0	-91.72	434.33	10.04	-81.68
CC(C)(C)[C@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542752	0	62	0.0	-81.22	459.06	8.61	-72.61
C=C(C)CC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542753	0	60	0.0	-79.31	461.32	8.72	-70.59
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542754	0	57	0.0	-83.65	433.52	9.50	-74.15
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300012542755	0	58	0.0	-86.41	441.21	9.48	-76.93
CC(C)C[C@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542756	0	62	0.0	-79.74	466.15	8.87	-70.87
O=C([O-])C(CC1CC1)NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542757	0	60	0.0	-79.82	459.87	9.06	-70.76
CSCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542758	0	57	0.0	-76.91	451.07	7.94	-68.97
COC[C@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542759	0	57	0.0	-81.54	440.12	5.74	-75.80
CC[C@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542760	0	56	0.0	-79.30	427.45	7.53	-71.77
O=C([O-])[C@H]1CCCN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542761	0	57	0.0	-86.82	427.78	9.10	-77.72
CCCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542762	0	59	0.0	-79.95	449.77	8.26	-71.69
CC(C)[C@@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542763	0	59	0.0	-80.38	445.31	8.07	-72.31
CCN(C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012542764	0	62	0.0	-82.93	453.00	10.28	-72.65
CCCN(C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012542765	0	62	0.0	-62.24	458.73	10.89	-51.35
CN(C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012542766	0	59	0.0	-82.94	433.50	9.38	-73.56
O=C([O-])[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542767	0	57	0.0	-86.20	426.52	9.37	-76.83
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542768	0	58	0.0	-88.54	439.05	5.72	-82.82
CCC[C@@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542769	0	59	0.0	-79.69	449.52	8.33	-71.36
C=CCCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542770	0	60	0.0	-78.98	461.75	8.85	-70.13
C[C@]1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542771	0	60	0.0	-86.23	444.12	9.96	-76.27
CC(C)[C@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542772	0	59	0.0	-80.41	445.30	8.07	-72.34
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542773	0	56	0.0	-76.14	418.36	8.56	-67.58
CCC[C@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542774	0	59	0.0	-79.29	448.94	8.28	-71.01
CCN(C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012542775	0	59	0.0	-81.02	439.04	10.02	-71.00
CC(CN(C)C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542776	0	59	0.0	-79.73	439.50	8.99	-70.74
CC[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542777	0	62	0.0	-80.93	459.50	8.46	-72.47
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542778	0	59	0.0	-76.58	438.65	9.64	-66.94
COCCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542779	0	60	0.0	-79.48	461.11	6.58	-72.90
CC1(C(NC(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(=O)[O-])CC1	REAL300012542780	0	60	0.0	-81.81	449.72	8.84	-72.97
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542781	0	58	0.0	-92.69	437.22	5.86	-86.83
O=C([O-])C(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCC1	REAL300012542782	0	60	0.0	-81.30	448.92	8.40	-72.90
O=C([O-])C(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCC1	REAL300012542783	0	60	0.0	-81.30	448.92	8.40	-72.90
CC1CCN(C(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300012542784	0	60	0.0	-87.01	443.21	9.57	-77.44
C=CCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542785	0	57	0.0	-79.50	441.58	7.94	-71.56
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)COC1	REAL300012542786	0	55	0.0	-78.42	420.22	5.25	-73.17
CC(C)C(C)(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542787	0	62	0.0	-80.76	449.14	8.56	-72.20
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542788	0	58	0.0	-90.71	434.19	10.52	-80.19
CCC(C(=O)[O-])N(CC)C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542789	0	62	0.0	-82.21	454.98	10.95	-71.26
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542790	0	57	0.0	-83.65	433.52	9.50	-74.15
O=C([O-])C1C2C=CC(C2)N1C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542791	0	59	0.0	-64.12	443.10	10.23	-53.89
CO[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542792	0	60	0.0	-81.26	458.27	6.74	-74.52
CC1[C@@H](C)[C@@]1(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542793	0	60	0.0	-86.84	451.28	9.24	-77.60
CCCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542794	0	62	0.0	-77.03	460.19	10.26	-66.77
CCOCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542795	0	60	0.0	-81.84	461.98	6.72	-75.12
N#CCCC(NC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012542796	0	57	0.0	-80.81	449.12	8.00	-72.81
C[C@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300012542797	0	56	0.0	-75.52	419.30	8.56	-66.96
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2CCCC2)CC1	REAL300012542914	0	57	0.0	-62.30	426.20	6.31	-55.99
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012543022	1	48	0.0	-68.24	378.79	7.61	-60.63
C=CCOCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543023	1	47	0.0	-71.20	385.53	5.93	-65.27
C=CC(C)C(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543024	1	46	0.0	-68.69	364.21	7.07	-61.62
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012543025	1	50	0.0	-70.99	383.33	6.01	-64.98
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012543026	1	46	0.0	-63.82	388.05	8.43	-55.39
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012543027	1	46	0.0	-63.80	397.94	8.88	-54.92
COC1CCN(C(=O)NCC(C)CN2C=C[NH+]=C2C)C(C(=O)[O-])C1	REAL300012543028	1	50	0.0	-79.02	380.59	8.32	-70.70
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012543029	1	50	0.0	-68.50	384.20	6.14	-62.36
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012543030	1	49	0.0	-78.70	363.82	9.49	-69.21
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012543031	1	49	0.0	-68.08	402.29	8.92	-59.16
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012543032	1	51	0.0	-70.70	411.24	8.15	-62.55
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012543033	1	52	0.0	-71.07	419.28	9.63	-61.44
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012543034	1	52	0.0	-70.61	413.77	9.51	-61.10
COC1=CC=C(C(NC(=O)NCC(C)CN2C=C[NH+]=C2C)C(=O)[O-])C=C1Cl	REAL300012543035	1	50	0.0	-70.91	421.09	8.07	-62.84
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=C(C)C(C)=CC=C1	REAL300012543036	1	52	0.0	-71.05	404.99	9.30	-61.75
COC1=CC=C(C(NC(=O)NCC(C)CN2C=C[NH+]=C2C)C(=O)[O-])C=C1F	REAL300012543037	1	50	0.0	-67.93	411.29	7.60	-60.33
CC1=[NH+]C=CN1CC(C)CNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012543038	1	49	0.0	-49.70	366.76	9.97	-39.73
CCCN(C(=O)NCC(C)CN1C=C[NH+]=C1C)C(COC)C(=O)[O-]	REAL300012543039	1	52	0.0	-72.15	400.76	9.69	-62.46
CCCN(C(=O)NCC(C)CN1C=C[NH+]=C1C)C(CC)C(=O)[O-]	REAL300012543040	1	51	0.0	-55.05	383.67	10.39	-44.66
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012543041	1	46	0.0	-78.93	350.63	9.49	-69.44
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012543042	1	46	0.0	-67.81	392.27	8.75	-59.06
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012543043	1	44	0.0	-76.43	349.77	9.24	-67.19
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012543044	1	49	0.0	-74.04	369.71	8.44	-65.60
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012543045	1	46	0.0	-74.23	353.83	7.23	-67.00
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012543046	1	52	0.0	-74.67	375.37	9.11	-65.56
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012543047	1	49	0.0	-70.06	397.84	9.17	-60.89
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012543048	1	49	0.0	-58.70	396.33	10.97	-47.73
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012543049	1	46	0.0	-71.25	376.27	8.41	-62.84
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012543050	1	46	0.0	-71.54	375.54	8.23	-63.31
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012543051	1	49	0.0	-70.06	397.84	9.17	-60.89
CCC(C)C(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543052	1	48	0.0	-68.07	372.52	7.40	-60.67
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012543053	1	46	0.0	-78.93	350.63	9.49	-69.44
CCCC(C)(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543054	1	48	0.0	-70.03	365.04	7.29	-62.74
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012543055	1	48	0.0	-58.43	373.50	9.24	-49.19
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012543056	1	50	0.0	-79.01	387.71	11.37	-67.64
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012543057	1	46	0.0	-71.54	353.96	7.36	-64.18
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012543058	1	43	0.0	-69.67	368.12	7.40	-62.27
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012543059	1	49	0.0	-74.04	369.71	8.44	-65.60
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012543060	1	49	0.0	-53.53	412.98	11.49	-42.04
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012543061	1	53	0.0	-70.59	426.97	9.36	-61.23
CC[C@H](C)[C@H](NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543062	1	48	0.0	-69.27	371.57	7.20	-62.07
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012543063	1	46	0.0	-74.23	353.83	7.23	-67.00
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012543064	1	49	0.0	-53.65	402.66	11.04	-42.61
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012543065	1	50	0.0	-71.44	393.52	9.41	-62.03
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012543066	1	46	0.0	-70.02	386.42	8.39	-61.63
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012543067	1	49	0.0	-71.94	383.36	9.01	-62.93
CCCCCCC(C)(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543068	1	57	0.0	-70.25	429.54	9.62	-60.63
CC1=[NH+]C=CN1CC(C)CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012543069	1	52	0.0	-67.24	406.40	11.09	-56.15
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012543070	1	46	0.0	-67.81	392.27	8.75	-59.06
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012543071	1	44	0.0	-75.17	340.66	6.66	-68.51
CC1=[NH+]C=CN1CC(C)CNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012543072	1	52	0.0	-75.59	378.19	9.68	-65.91
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012543073	1	52	0.0	-59.48	418.74	11.75	-47.73
CC1=[NH+]C=CN1CC(C)CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012543074	1	49	0.0	-69.97	386.70	10.11	-59.86
COCCN(CC(=O)[O-])C(=O)NCC(C)CN1C=C[NH+]=C1C	REAL300012543075	1	46	0.0	-59.22	368.71	7.15	-52.07
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012543076	1	50	0.0	-74.76	390.28	9.33	-65.43
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012543077	1	46	0.0	-78.36	350.13	9.19	-69.17
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012543078	1	46	0.0	-73.97	355.30	8.60	-65.37
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012543079	1	53	0.0	-76.05	431.49	9.17	-66.88
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012543080	1	49	0.0	-75.88	362.89	9.66	-66.22
CCCCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543081	1	48	0.0	-69.41	381.57	7.71	-61.70
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012543082	1	52	0.0	-59.48	418.74	11.75	-47.73
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012543083	1	46	0.0	-75.38	348.18	8.11	-67.27
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012543084	1	49	0.0	-57.91	374.60	9.62	-48.29
CCCCCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543085	1	51	0.0	-69.93	403.90	8.49	-61.44
CCC1CCC(NC(=O)NCC(C)CN2C=C[NH+]=C2C)(C(=O)[O-])CC1	REAL300012543086	1	55	0.0	-73.84	408.77	9.70	-64.14
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012543087	1	50	0.0	-55.15	383.03	7.95	-47.20
CC1=[NH+]C=CN1CC(C)CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012543088	1	49	0.0	-74.31	365.66	9.05	-65.26
CC1=[NH+]C=CN1CC(C)CNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012543089	1	46	0.0	-59.92	355.78	8.54	-51.38
CCC(C(=O)[O-])N(C(=O)NCC(C)CN1C=C[NH+]=C1C)C1CC1	REAL300012543090	1	49	0.0	-66.66	372.89	9.82	-56.84
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012543091	1	46	0.0	-71.35	388.25	8.69	-62.66
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012543092	1	46	0.0	-74.49	379.77	8.38	-66.11
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012543093	1	50	0.0	-60.80	390.39	10.65	-50.15
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012543094	1	49	0.0	-74.89	412.56	9.42	-65.47
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012543095	1	55	0.0	-75.44	441.44	11.16	-64.28
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012543096	1	55	0.0	-70.87	420.66	9.45	-61.42
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012543097	1	52	0.0	-58.04	403.96	11.05	-46.99
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012543098	1	49	0.0	-71.65	396.98	8.91	-62.74
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012543099	1	42	0.0	-63.71	354.51	6.88	-56.83
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012543100	1	52	0.0	-71.69	421.56	10.50	-61.19
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012543101	1	47	0.0	-68.15	366.62	8.06	-60.09
COCC(C)(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543102	1	46	0.0	-74.03	361.79	5.82	-68.21
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)CN1C=C[NH+]=C1C	REAL300012543103	1	49	0.0	-67.52	381.18	7.64	-59.88
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012543104	1	48	0.0	-58.43	373.50	9.24	-49.19
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)CN1C=C[NH+]=C1C	REAL300012543105	1	55	0.0	-56.48	424.39	12.31	-44.17
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012543106	1	45	0.0	-58.16	376.97	9.10	-49.06
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012543107	1	44	0.0	-67.81	344.93	4.67	-63.14
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012543108	1	52	0.0	-69.63	392.48	8.44	-61.19
CC1=[NH+]C=CN1CC(C)CNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012543109	1	53	0.0	-68.36	409.97	9.11	-59.25
CC1=[NH+]C=CN1CC(C)CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012543110	1	53	0.0	-77.61	414.80	12.21	-65.40
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012543111	1	47	0.0	-71.10	360.35	5.87	-65.23
C=CCCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543112	1	46	0.0	-69.04	372.88	7.49	-61.55
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012543113	1	52	0.0	-49.56	403.72	11.92	-37.64
CCC(CC)(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543114	1	48	0.0	-69.20	359.93	7.42	-61.78
COC1=CC=C(C(NC(=O)NCC(C)CN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300012543115	1	50	0.0	-71.13	405.04	7.53	-63.60
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)CN1C=C[NH+]=C1C	REAL300012543116	1	48	0.0	-56.81	370.65	9.41	-47.40
CCC(COC)(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543117	1	49	0.0	-75.50	378.46	6.72	-68.78
CC1=[NH+]C=CN1CC(C)CNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012543118	1	52	0.0	-68.28	401.26	8.29	-59.99
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012543119	1	49	0.0	-74.76	386.25	4.43	-70.33
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012543120	1	46	0.0	-68.14	371.94	7.79	-60.35
COCCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543121	1	46	0.0	-70.10	373.08	5.22	-64.88
CC1=[NH+]C=CN1CC(C)CNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012543122	1	51	0.0	-67.83	388.59	9.73	-58.10
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012543123	1	42	0.0	-65.53	350.03	6.69	-58.84
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)CN1C=C[NH+]=C1C	REAL300012543124	1	52	0.0	-78.71	389.93	10.58	-68.13
CCCN(C(=O)NCC(C)CN1C=C[NH+]=C1C)C(C)C(=O)[O-]	REAL300012543125	1	48	0.0	-65.04	368.50	8.68	-56.36
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012543126	1	52	0.0	-50.79	406.47	11.96	-38.83
CCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012543127	1	52	0.0	-69.45	417.01	10.39	-59.06
CCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012543128	1	52	0.0	-71.29	400.34	9.90	-61.39
COC1CCCC(C(NC(=O)NCC(C)CN2C=C[NH+]=C2C)C(=O)[O-])C1	REAL300012543129	1	56	0.0	-73.32	424.95	7.44	-65.88
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CCF)C(=O)[O-]	REAL300012543130	1	42	0.0	-68.19	345.17	6.31	-61.88
COC1(CC(NC(=O)NCC(C)CN2C=C[NH+]=C2C)C(=O)[O-])CCC1	REAL300012543131	1	53	0.0	-70.74	409.51	7.51	-63.23
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012543132	1	50	0.0	-55.15	383.03	7.95	-47.20
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012543133	1	52	0.0	-58.33	392.00	10.33	-48.00
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012543134	1	52	0.0	-74.14	382.81	8.73	-65.41
COC1=CC=CC(C(NC(=O)NCC(C)CN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300012543135	1	50	0.0	-73.43	404.82	7.60	-65.83
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012543136	1	45	0.0	-66.73	350.14	6.67	-60.06
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012543137	1	47	0.0	-60.49	372.92	8.84	-51.65
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012543138	1	43	0.0	-69.54	352.61	8.00	-61.54
COC1=CC=CC([C@H](NC(=O)NCC(C)CN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300012543139	1	50	0.0	-71.88	405.38	7.63	-64.25
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)CN2C=C[NH+]=C2C)C1	REAL300012543140	1	52	0.0	-77.58	404.92	10.05	-67.53
COC1=CC=CC(CC(NC(=O)NCC(C)CN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300012543141	1	53	0.0	-72.72	427.04	8.53	-64.19
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012543142	1	55	0.0	-73.05	396.86	9.23	-63.82
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012543143	1	44	0.0	-81.03	346.19	8.68	-72.35
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012543144	1	52	0.0	-69.38	417.71	9.87	-59.51
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012543145	1	51	0.0	-67.80	411.58	9.68	-58.12
COC1CN(C(=O)NCC(C)CN2C=C[NH+]=C2C)C(C)(C(=O)[O-])C1	REAL300012543146	1	50	0.0	-74.02	388.54	7.59	-66.43
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012543147	1	53	0.0	-69.19	406.58	7.66	-61.53
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012543148	1	48	0.0	-71.32	370.19	7.27	-64.05
C=C(Cl)CC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543149	1	43	0.0	-69.88	367.84	7.23	-62.65
C=C(C)CC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543150	1	46	0.0	-70.06	373.26	7.35	-62.71
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012543151	1	47	0.0	-82.53	360.72	9.59	-72.94
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012543152	1	52	0.0	-70.02	407.39	9.42	-60.60
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012543153	1	43	0.0	-69.48	351.91	7.95	-61.53
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012543154	1	43	0.0	-73.63	344.66	8.15	-65.48
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)CN2C=C[NH+]=C2C)C1	REAL300012543155	1	44	0.0	-76.31	352.20	8.14	-68.17
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012543156	1	53	0.0	-68.34	406.66	7.63	-60.71
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012543157	1	48	0.0	-68.24	378.79	7.61	-60.63
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012543158	1	50	0.0	-70.99	383.33	6.01	-64.98
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012543159	1	46	0.0	-71.54	375.54	8.23	-63.31
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012543160	1	49	0.0	-68.90	414.29	9.21	-59.69
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012543161	1	46	0.0	-68.14	371.94	7.79	-60.35
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012543162	1	45	0.0	-68.14	383.54	6.35	-61.79
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012543163	1	54	0.0	-70.00	421.47	8.99	-61.01
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012543164	1	52	0.0	-68.04	427.47	9.63	-58.41
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012543165	1	50	0.0	-74.08	396.28	6.70	-67.38
CSCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543166	1	43	0.0	-66.85	362.20	6.60	-60.25
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012543167	1	49	0.0	-67.36	403.99	9.30	-58.06
CCC(C)CC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543168	1	51	0.0	-70.41	396.34	8.12	-62.29
C=CCCCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543169	1	49	0.0	-68.99	394.38	8.27	-60.72
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012543170	1	49	0.0	-67.79	405.11	9.33	-58.46
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012543171	1	52	0.0	-74.75	415.36	10.41	-64.34
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012543172	1	44	0.0	-76.43	349.77	9.24	-67.19
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012543173	1	49	0.0	-71.94	383.36	9.01	-62.93
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012543174	1	47	0.0	-80.88	359.50	9.66	-71.22
CCN(C(=O)NCC(C)CN1C=C[NH+]=C1C)C(C)(C)C(=O)[O-]	REAL300012543175	1	48	0.0	-71.34	364.13	8.94	-62.40
CCCN(C(=O)NCC(C)CN1C=C[NH+]=C1C)C(C)C(=O)[O-]	REAL300012543176	1	48	0.0	-65.04	368.50	8.68	-56.36
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012543177	1	42	0.0	-63.94	351.95	8.47	-55.47
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012543178	1	42	0.0	-63.94	351.95	8.47	-55.47
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012543179	1	55	0.0	-59.38	420.21	6.14	-53.24
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012543180	1	44	0.0	-77.06	351.65	4.25	-72.81
CC1=NC=CN1CC(C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012543181	0	59	0.0	-62.74	445.92	8.06	-54.68
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C2=C(CC1C(=O)[O-])C(C)=CC=C2	REAL300012543182	1	50	0.0	-54.82	394.41	10.98	-43.84
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012543183	1	53	0.0	-58.52	403.01	11.37	-47.15
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012543184	1	51	0.0	-69.55	395.37	9.38	-60.17
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012543185	1	46	0.0	-71.25	376.27	8.41	-62.84
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012543186	1	49	0.0	-67.16	414.31	9.23	-57.93
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012543187	1	51	0.0	-69.69	415.45	8.24	-61.45
C=CCCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543188	1	46	0.0	-69.04	372.88	7.49	-61.55
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012543189	1	45	0.0	-73.16	385.27	6.26	-66.90
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012543190	1	46	0.0	-64.30	404.55	8.13	-56.17
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012543191	1	46	0.0	-84.31	368.67	5.62	-78.69
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012543192	1	47	0.0	-69.98	366.43	7.32	-62.66
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012543193	1	46	0.0	-76.10	356.06	8.68	-67.42
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012543194	1	46	0.0	-69.46	375.86	8.34	-61.12
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012543195	1	49	0.0	-72.99	385.93	7.66	-65.33
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012543196	1	49	0.0	-57.91	374.60	9.62	-48.29
CC[C@H](C)[C@H](NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543197	1	48	0.0	-69.27	371.57	7.20	-62.07
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012543198	1	47	0.0	-79.23	371.08	4.05	-75.18
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012543199	1	55	0.0	-72.88	422.86	7.41	-65.47
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012543200	1	49	0.0	-72.19	375.47	7.89	-64.30
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012543201	1	52	0.0	-74.94	384.26	8.60	-66.34
COCCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543202	1	46	0.0	-70.10	373.08	5.22	-64.88
CC1=[NH+]C=CN1CC(C)CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012543203	1	52	0.0	-67.24	406.40	11.09	-56.15
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012543204	1	49	0.0	-75.20	377.74	8.66	-66.54
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012543205	1	56	0.0	-74.74	424.46	10.59	-64.15
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012543206	1	46	0.0	-72.67	363.93	7.60	-65.07
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012543207	1	55	0.0	-72.46	424.44	7.48	-64.98
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012543208	1	44	0.0	-80.16	348.69	4.54	-75.62
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012543209	1	54	0.0	-59.49	418.67	11.93	-47.56
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012543210	1	47	0.0	-70.40	367.10	5.28	-65.12
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012543211	1	47	0.0	-79.82	360.34	9.18	-70.64
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012543212	1	50	0.0	-77.83	407.49	8.30	-69.53
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012543213	1	45	0.0	-76.57	351.84	6.94	-69.63
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012543214	1	49	0.0	-78.39	370.80	10.00	-68.39
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012543215	1	52	0.0	-68.31	413.01	9.58	-58.73
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012543216	1	53	0.0	-68.29	407.63	9.96	-58.33
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012543217	1	46	0.0	-69.36	359.54	7.04	-62.32
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012543218	1	59	0.0	-72.89	433.59	9.01	-63.88
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012543219	1	52	0.0	-69.63	392.48	8.44	-61.19
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012543220	1	46	0.0	-69.36	359.54	7.04	-62.32
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012543221	1	46	0.0	-75.60	360.30	8.44	-67.16
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012543222	1	53	0.0	-69.64	412.33	8.04	-61.60
CC1=[NH+]C=CN1CC(C)CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012543223	1	53	0.0	-54.26	386.16	9.99	-44.27
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012543224	1	53	0.0	-71.98	389.45	7.17	-64.81
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC2=C(C=CC=C2C)C1C(=O)[O-]	REAL300012543225	1	53	0.0	-62.62	407.92	11.19	-51.43
CC1=[NH+]C=CN1CC(C)CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012543226	1	47	0.0	-55.40	353.96	8.59	-46.81
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012543227	1	53	0.0	-68.29	407.63	9.96	-58.33
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012543228	1	49	0.0	-71.26	404.25	9.24	-62.02
COC1CC(NC(=O)NCC(C)CN2C=C[NH+]=C2C)(C(=O)[O-])C1	REAL300012543229	1	47	0.0	-70.43	372.14	5.73	-64.70
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012543230	1	43	0.0	-72.49	349.74	6.97	-65.52
CO[C@H]1C[C@](NC(=O)NCC(C)CN2C=C[NH+]=C2C)(C(=O)[O-])C1	REAL300012543231	1	47	0.0	-72.32	372.50	6.13	-66.19
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012543232	1	46	0.0	-66.28	377.46	8.10	-58.18
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)CN1C=C[NH+]=C1C	REAL300012543233	1	49	0.0	-78.35	368.45	9.84	-68.51
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012543234	1	42	0.0	-63.71	354.51	6.88	-56.83
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012543235	1	50	0.0	-67.57	388.61	5.89	-61.68
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012543236	1	46	0.0	-70.74	388.88	8.23	-62.51
COCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012543237	1	53	0.0	-69.88	416.54	8.23	-61.65
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012543238	1	48	0.0	-69.05	360.28	7.23	-61.82
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012543239	1	44	0.0	-79.10	345.81	9.22	-69.88
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012543240	1	47	0.0	-77.14	354.35	8.31	-68.83
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012543241	1	52	0.0	-50.79	406.47	11.96	-38.83
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012543242	1	55	0.0	-70.87	420.66	9.45	-61.42
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012543243	1	52	0.0	-68.75	420.89	10.04	-58.71
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012543244	1	52	0.0	-68.95	420.56	10.01	-58.94
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012543245	1	53	0.0	-72.88	402.60	8.90	-63.98
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012543246	1	55	0.0	-68.57	419.50	9.42	-59.15
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012543247	1	55	0.0	-68.91	420.65	9.45	-59.46
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012543248	1	53	0.0	-56.38	400.83	9.98	-46.40
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012543249	1	53	0.0	-79.05	397.75	9.83	-69.22
COC1=CC=C(CC(NC(=O)NCC(C)CN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300012543250	1	53	0.0	-70.43	426.44	8.48	-61.95
C=CCSCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543251	1	47	0.0	-67.59	397.15	8.03	-59.56
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012543252	1	50	0.0	-69.81	417.76	9.57	-60.24
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)CN1C=C[NH+]=C1C	REAL300012543253	1	48	0.0	-70.46	366.14	9.59	-60.87
COC1(C(NC(=O)NCC(C)CN2C=C[NH+]=C2C)C(=O)[O-])CCC1	REAL300012543254	1	50	0.0	-65.64	386.38	5.87	-59.77
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012543255	1	52	0.0	-72.47	401.33	9.20	-63.27
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012543256	1	53	0.0	-74.59	406.85	10.29	-64.30
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012543257	1	46	0.0	-77.32	372.36	7.70	-69.62
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012543259	1	58	0.0	-69.38	451.55	10.63	-58.75
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012543260	1	55	0.0	-70.83	435.55	10.24	-60.59
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012543261	1	43	0.0	-73.63	344.66	8.15	-65.48
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012543262	1	45	0.0	-53.17	355.04	8.96	-44.21
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012543263	1	49	0.0	-76.25	374.30	8.71	-67.54
CCOC1=CC=C(C(NC(=O)NCC(C)CN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300012543264	1	53	0.0	-69.59	426.91	8.45	-61.14
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012543265	1	53	0.0	-78.28	395.20	10.80	-67.48
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012543266	1	53	0.0	-69.80	417.96	10.76	-59.04
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012543267	1	53	0.0	-74.27	418.00	9.27	-65.00
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012543268	1	49	0.0	-72.29	412.72	9.25	-63.04
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012543269	1	51	0.0	-69.55	399.14	8.23	-61.32
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012543270	1	50	0.0	-53.18	385.05	9.54	-43.64
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012543271	1	50	0.0	-67.57	388.61	5.89	-61.68
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)CN2C=C[NH+]=C2C)C1	REAL300012543272	1	47	0.0	-73.69	381.47	9.24	-64.45
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012543273	1	50	0.0	-71.65	377.48	8.75	-62.90
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012543274	1	47	0.0	-73.48	362.82	8.18	-65.30
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012543275	1	50	0.0	-73.50	384.07	8.58	-64.92
CC1=[NH+]C=CN1CC(C)CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012543276	1	52	0.0	-70.03	409.34	11.31	-58.72
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012543277	1	56	0.0	-57.20	416.59	10.45	-46.75
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012543278	1	49	0.0	-69.08	381.20	7.88	-61.20
CO[C@H](C)[C@H](NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543279	1	46	0.0	-69.25	370.19	5.55	-63.70
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012543280	1	46	0.0	-74.96	362.46	7.89	-67.07
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012543281	1	49	0.0	-58.70	396.33	10.97	-47.73
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012543282	1	49	0.0	-53.21	378.03	8.85	-44.36
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012543283	1	50	0.0	-56.22	402.03	10.75	-45.47
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012543284	1	46	0.0	-75.55	360.85	9.27	-66.28
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012543285	1	43	0.0	-79.07	349.83	8.20	-70.87
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012543286	1	49	0.0	-71.26	404.25	9.24	-62.02
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012543287	1	46	0.0	-68.02	388.43	8.17	-59.85
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012543288	1	46	0.0	-67.14	368.13	8.80	-58.34
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012543289	1	50	0.0	-74.19	403.51	8.99	-65.20
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012543290	1	54	0.0	-72.89	425.38	10.49	-62.40
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012543291	1	46	0.0	-68.02	388.43	8.17	-59.85
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012543292	1	50	0.0	-76.97	377.01	9.16	-67.81
COCCCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543293	1	49	0.0	-68.82	393.74	6.00	-62.82
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)CN1C=C[NH+]=C1C	REAL300012543294	1	48	0.0	-66.83	371.29	9.07	-57.76
CCOCC(NC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012543295	1	46	0.0	-72.02	373.12	5.36	-66.66
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012543296	1	51	0.0	-68.89	390.24	8.55	-60.34
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012543297	1	50	0.0	-73.25	390.65	6.71	-66.54
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012543298	1	50	0.0	-71.44	393.52	9.41	-62.03
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012543299	1	47	0.0	-77.07	360.87	7.64	-69.43
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012543300	1	49	0.0	-69.33	381.68	9.14	-60.19
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012543301	1	43	0.0	-70.62	359.43	6.67	-63.95
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012543302	1	60	0.0	-71.48	431.28	10.36	-61.12
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012543303	1	52	0.0	-72.63	427.50	9.48	-63.15
CC1=[NH+]C=CN1CC(C)CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012543304	1	46	0.0	-60.24	373.30	8.95	-51.29
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012543305	1	57	0.0	-77.02	411.17	9.64	-67.38
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012543306	1	48	0.0	-65.72	409.64	7.79	-57.93
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)CN2C=C[NH+]=C2C)C1	REAL300012543307	1	50	0.0	-71.48	394.37	7.96	-63.52
CC1=CC=C(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543326	0	53	0.0	-68.00	406.01	8.80	-59.20
C=CCOCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543327	0	52	0.0	-67.52	411.49	8.23	-59.29
C=CC(C)C(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543328	0	51	0.0	-73.31	390.41	9.30	-64.01
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012543329	0	55	0.0	-76.04	409.37	8.22	-67.82
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)[NH+](C)C)C=C1	REAL300012543330	0	51	0.0	-67.07	415.65	9.66	-57.41
COC1CCN(C(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012543331	0	55	0.0	-77.43	407.52	9.49	-67.94
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)[NH+](C)C)C=C1	REAL300012543332	0	55	0.0	-70.97	409.31	8.24	-62.73
CC1=CC=C(C(CNC(=O)N2CCC(C)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543333	0	54	0.0	-77.69	398.61	11.28	-66.41
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)[NH+](C)C)C=C1	REAL300012543334	0	54	0.0	-69.51	430.29	10.22	-59.29
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)[NH+](C)C)C=C1	REAL300012543335	0	56	0.0	-72.12	438.88	9.38	-62.74
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)[NH+](C)C)C=C1	REAL300012543336	0	57	0.0	-70.67	446.41	10.84	-59.83
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)[NH+](C)C)C=C1	REAL300012543337	0	57	0.0	-73.27	441.96	10.71	-62.56
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)[NH+](C)C)C=C1	REAL300012543338	0	57	0.0	-72.66	433.57	10.53	-62.13
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C	REAL300012543339	0	50	0.0	-43.57	384.34	10.99	-32.58
CC1=CC=C(C(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)[NH+](C)C)C=C1	REAL300012543340	0	54	0.0	-49.73	397.49	11.34	-38.39
CCCN(C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012543341	0	57	0.0	-74.72	423.50	11.70	-63.02
CCCN(C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012543342	0	56	0.0	-75.17	409.51	12.49	-62.68
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012543343	0	50	0.0	-72.47	381.88	9.00	-63.47
CC1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543344	0	51	0.0	-77.32	377.85	10.65	-66.67
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)[NH+](C)C)C=C1	REAL300012543345	0	51	0.0	-69.20	420.27	10.03	-59.17
CC1=CC=C(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543346	0	49	0.0	-74.51	377.11	10.41	-64.10
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+](C)C)C=C1	REAL300012543347	0	54	0.0	-74.06	396.96	9.66	-64.40
CC1=CC=C(C(CNC(=O)N2CCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543348	0	48	0.0	-77.19	366.63	9.37	-67.82
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300012543349	0	51	0.0	-74.00	382.44	8.55	-65.45
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)[NH+](C)C)C=C1	REAL300012543350	0	57	0.0	-74.79	402.61	10.32	-64.47
CC1=CC=C(C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543351	0	54	0.0	-73.97	423.07	11.51	-62.46
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012543352	0	54	0.0	-61.20	424.34	12.25	-48.95
CC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012543353	0	51	0.0	-67.54	400.12	10.49	-57.05
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012543354	0	51	0.0	-72.53	403.54	9.51	-63.02
CCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543355	0	47	0.0	-65.92	364.01	8.44	-57.48
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012543356	0	50	0.0	-72.47	381.88	9.00	-63.47
CC1=CC=C(C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543357	0	54	0.0	-73.97	423.07	11.51	-62.46
CCC(C)C(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543358	0	53	0.0	-71.71	397.95	9.67	-62.04
CC1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543359	0	51	0.0	-77.32	377.85	10.65	-66.67
CCCC(C)(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543360	0	53	0.0	-71.64	390.51	9.56	-62.08
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012543361	0	50	0.0	-44.95	373.07	10.47	-34.48
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012543362	0	48	0.0	-54.98	369.86	9.81	-45.17
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C	REAL300012543363	0	48	0.0	-43.47	375.65	10.80	-32.67
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+](C)C)C=C1	REAL300012543364	0	53	0.0	-43.41	399.00	11.51	-31.90
CC1=CC=C(C(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543365	0	55	0.0	-80.39	412.04	13.48	-66.91
CC1=CC=C(C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543366	0	47	0.0	-58.27	355.62	7.81	-50.46
CC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012543367	0	51	0.0	-73.37	378.47	9.54	-63.83
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)[NH+](C)C)C=C1	REAL300012543368	0	48	0.0	-70.72	395.35	8.60	-62.12
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+](C)C)C=C1	REAL300012543369	0	54	0.0	-74.06	396.96	9.66	-64.40
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012543370	0	50	0.0	-44.95	373.07	10.47	-34.48
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C	REAL300012543371	0	50	0.0	-43.57	384.34	10.99	-32.58
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C	REAL300012543372	0	47	0.0	-71.99	358.97	10.07	-61.92
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543373	0	53	0.0	-69.08	398.79	8.40	-60.68
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300012543374	0	51	0.0	-74.00	382.44	8.55	-65.45
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)[NH+](C)C)C=C1	REAL300012543375	0	54	0.0	-42.19	428.22	13.30	-28.89
CCC(C)(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543376	0	50	0.0	-71.42	369.01	8.80	-62.62
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)[NH+](C)C)C=C1	REAL300012543377	0	55	0.0	-70.94	421.99	10.70	-60.24
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)[NH+](C)C)C=C1	REAL300012543378	0	51	0.0	-72.95	414.37	9.67	-63.28
CC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012543379	0	54	0.0	-68.77	408.70	11.25	-57.52
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C	REAL300012543380	0	47	0.0	-71.99	358.97	10.07	-61.92
CCCCCCC(C)(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543381	0	62	0.0	-66.54	455.01	11.89	-54.65
CC1=CC=C(C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543382	0	57	0.0	-73.08	431.87	13.37	-59.71
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300012543383	0	45	0.0	-75.54	352.20	7.64	-67.90
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)[NH+](C)C)C=C1	REAL300012543384	0	51	0.0	-69.20	420.27	10.03	-59.17
CC1=CC=C(C(CNC(=O)N2CCOCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543385	0	49	0.0	-74.58	368.61	7.98	-66.60
CC1=CC=C(C(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)[NH+](C)C)C=C1	REAL300012543386	0	57	0.0	-75.88	406.09	11.00	-64.88
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012543387	0	48	0.0	-70.66	371.11	8.82	-61.84
CC1=CC=C(C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012543388	0	57	0.0	-44.67	444.25	14.02	-30.65
CC1=CC=C(C(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012543389	0	54	0.0	-68.74	410.90	12.70	-56.04
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C	REAL300012543390	0	51	0.0	-44.16	394.22	9.42	-34.74
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)[NH+](C)C)C=C1	REAL300012543391	0	55	0.0	-71.66	415.73	11.57	-60.09
CC1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543392	0	48	0.0	-74.37	367.39	9.05	-65.32
CC1=CC=C(C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543393	0	51	0.0	-77.72	377.62	10.42	-67.30
CC1=CC=C(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543394	0	47	0.0	-63.54	353.85	9.25	-54.29
CC1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543395	0	48	0.0	-78.72	363.56	10.34	-68.38
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC2)[NH+](C)C)C=C1	REAL300012543396	0	48	0.0	-76.83	366.00	9.15	-67.68
C=CCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543397	0	48	0.0	-65.24	377.32	8.88	-56.36
CC1=CC=C(C(CNC(=O)N2CCCC2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543398	0	51	0.0	-79.11	380.02	10.79	-68.32
CC1=CC=C(C(CNC(=O)N2CCCCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543399	0	54	0.0	-75.17	390.40	11.04	-64.13
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012543400	0	48	0.0	-70.66	371.11	8.82	-61.84
CC1=CC=C(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543401	0	47	0.0	-67.46	355.40	9.39	-58.07
CCCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543402	0	53	0.0	-66.62	407.83	9.98	-56.64
CC1=CC=C(C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012543403	0	57	0.0	-44.67	444.25	14.02	-30.65
CC1=CC=C(C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543404	0	51	0.0	-77.20	383.77	9.90	-67.30
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+](C)C)C=C1	REAL300012543405	0	54	0.0	-54.51	397.61	11.68	-42.83
COCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543406	0	48	0.0	-66.77	376.24	6.66	-60.11
CCCCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543407	0	56	0.0	-65.67	428.54	10.77	-54.90
CCC1CCC(NC(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012543408	0	60	0.0	-70.72	432.76	11.79	-58.93
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012543409	0	55	0.0	-43.14	407.60	10.14	-33.00
CC1=CC=C(C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300012543410	0	54	0.0	-79.64	388.99	11.08	-68.56
CC1=CC=C(C(CNC(=O)N(C(C)C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012543411	0	51	0.0	-64.21	383.61	9.81	-54.40
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C1CC1	REAL300012543412	0	54	0.0	-57.61	404.61	10.92	-46.69
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)[NH+](C)C)C=C1	REAL300012543413	0	51	0.0	-69.31	410.49	10.82	-58.49
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)[NH+](C)C)C=C1	REAL300012543414	0	51	0.0	-73.28	403.96	10.50	-62.78
CC1=CC=C(C(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543415	0	55	0.0	-56.02	415.52	12.87	-43.15
CC1=CC=C(C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543416	0	60	0.0	-72.24	447.88	10.64	-61.60
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012543417	0	57	0.0	-46.80	433.68	14.11	-32.69
CC1=CC=C(C(NC(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012543418	0	54	0.0	-71.85	424.35	10.22	-61.63
CC1=CC=C(C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543419	0	47	0.0	-60.60	379.94	9.15	-51.45
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCSCC2)[NH+](C)C)C=C1	REAL300012543420	0	52	0.0	-68.17	395.08	9.36	-58.81
COCC(C)(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543421	0	51	0.0	-76.07	387.26	8.09	-67.98
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C	REAL300012543422	0	54	0.0	-64.38	406.41	9.77	-54.61
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+](C)C)C=C1	REAL300012543423	0	53	0.0	-43.41	399.00	11.51	-31.90
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C	REAL300012543424	0	60	0.0	-61.18	448.61	13.48	-47.70
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012543425	0	48	0.0	-54.98	369.86	9.81	-45.17
CC1=CC=C(C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012543426	0	50	0.0	-44.15	402.47	11.37	-32.78
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOC2)[NH+](C)C)C=C1	REAL300012543427	0	49	0.0	-66.89	369.95	6.84	-60.05
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+](C)C)C=C1	REAL300012543428	0	57	0.0	-73.36	417.92	10.71	-62.65
CC1=CC=C(C(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543429	0	58	0.0	-64.75	433.94	11.25	-53.50
CC1=CC=C(C(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012543430	0	58	0.0	-50.57	441.64	13.17	-37.40
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOCC2)[NH+](C)C)C=C1	REAL300012543431	0	52	0.0	-71.03	388.81	7.16	-63.87
C=CCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543432	0	51	0.0	-66.45	399.18	9.76	-56.69
CC1=CC=C(C(CNC(=O)NC(CF)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543433	0	44	0.0	-56.61	346.66	7.43	-49.18
CC1=CC=C(C(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543434	0	57	0.0	-59.48	426.30	13.03	-46.45
CC1=CC=C(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543435	0	47	0.0	-67.46	355.40	9.39	-58.07
CCC(CC)(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543436	0	53	0.0	-67.34	385.68	9.69	-57.65
COC1=CC=C(C(NC(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012543437	0	55	0.0	-71.75	432.43	8.84	-62.91
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C	REAL300012543438	0	53	0.0	-42.71	393.57	11.57	-31.14
CCC(COC)(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543439	0	54	0.0	-72.23	403.93	8.99	-63.24
CC1=CC=C(C(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543440	0	57	0.0	-64.86	426.68	10.54	-54.32
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)[NH+](C)C)C=C1	REAL300012543441	0	54	0.0	-73.54	410.25	6.54	-67.00
CC1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543442	0	51	0.0	-71.48	399.02	8.99	-62.49
COCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543443	0	51	0.0	-66.14	397.71	7.51	-58.63
CC1=CC=C(C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543444	0	56	0.0	-64.26	414.31	11.98	-52.28
CC1=CC=C(C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543445	0	47	0.0	-66.49	376.36	8.72	-57.77
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C	REAL300012543446	0	57	0.0	-73.00	415.25	12.35	-60.65
CCCN(C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012543447	0	53	0.0	-48.10	394.82	11.10	-37.00
CC1=CC=C(C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543448	0	57	0.0	-48.77	434.03	13.09	-35.68
CCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012543449	0	57	0.0	-69.84	428.34	11.19	-58.65
COC1CCCC(C(NC(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C(=O)[O-])C1	REAL300012543450	0	61	0.0	-71.83	449.70	9.62	-62.21
CC1=CC=C(C(CNC(=O)NC(CCF)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543451	0	47	0.0	-65.99	371.47	8.58	-57.41
COC1(CC(NC(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012543452	0	58	0.0	-73.90	436.61	8.70	-65.20
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012543453	0	55	0.0	-43.14	407.60	10.14	-33.00
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)[NH+](C)C)C=C1	REAL300012543454	0	57	0.0	-60.92	419.20	11.52	-49.40
CC1=CC=C(C(CNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)[NH+](C)C)C=C1	REAL300012543455	0	57	0.0	-74.26	410.87	10.04	-64.22
COC1=CC=CC(C(NC(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012543456	0	55	0.0	-74.02	432.44	8.83	-65.19
CC1=CC=C(C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543457	0	50	0.0	-63.51	375.60	8.94	-54.57
CC1=CC=C(C(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543458	0	52	0.0	-50.22	397.79	10.94	-39.28
CC1=CC=C(C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543459	0	48	0.0	-68.98	380.38	9.22	-59.76
COC1=CC=CC([C@H](NC(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012543460	0	55	0.0	-73.69	429.24	9.72	-63.97
CC1=CC=C(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543461	0	47	0.0	-65.46	358.07	8.39	-57.07
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C1	REAL300012543462	0	57	0.0	-76.30	432.39	11.27	-65.03
COC1=CC=CC(CC(NC(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012543463	0	58	0.0	-75.66	455.19	9.81	-65.85
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)[NH+](C)C)C=C1	REAL300012543464	0	60	0.0	-71.11	424.75	10.55	-60.56
CC1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)[NH+](C)C)C=C1	REAL300012543465	0	49	0.0	-82.86	370.35	10.88	-71.98
COC1CN(C(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012543466	0	55	0.0	-71.57	412.86	9.82	-61.75
CC1=CC=C(C(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543467	0	58	0.0	-71.44	436.26	9.27	-62.17
CC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+](C)C)C=C1	REAL300012543468	0	53	0.0	-69.32	398.34	8.55	-60.77
C=C(Cl)CC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543469	0	48	0.0	-67.23	393.30	9.51	-57.72
C=C(C)CC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543470	0	51	0.0	-65.76	397.89	9.65	-56.11
CC1=CC=C(C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)[NH+](C)C)C=C1	REAL300012543471	0	52	0.0	-81.31	388.21	10.82	-70.49
CC1=CC=C(C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543472	0	48	0.0	-68.07	376.60	10.50	-57.57
CC1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543473	0	48	0.0	-75.52	373.12	9.46	-66.06
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C1	REAL300012543474	0	49	0.0	-79.24	377.10	10.32	-68.92
CC1=CC=C(C(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543475	0	58	0.0	-73.52	432.13	9.92	-63.60
CC1=CC=C(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543476	0	53	0.0	-68.00	406.01	8.80	-59.20
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012543477	0	55	0.0	-76.04	409.37	8.22	-67.82
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012543478	0	51	0.0	-72.53	403.54	9.51	-63.02
CC1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543479	0	51	0.0	-71.48	399.02	8.99	-62.49
CC1=CC=C(C(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543480	0	50	0.0	-69.94	412.38	7.62	-62.32
CC1=CC=C(C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543481	0	59	0.0	-65.70	446.10	11.28	-54.42
CC1=CC=C(C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543482	0	55	0.0	-72.39	423.60	7.82	-64.57
CSCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543483	0	48	0.0	-62.93	387.66	8.88	-54.05
COC[C@H](NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543484	0	48	0.0	-69.46	379.27	5.72	-63.74
CC[C@H](NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543485	0	47	0.0	-65.91	364.01	8.44	-57.47
CC1=CC=C(C(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543486	0	54	0.0	-66.86	428.78	11.48	-55.38
CCC(C)CC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543487	0	56	0.0	-65.98	420.97	10.40	-55.58
C=CCCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543488	0	54	0.0	-65.30	419.85	10.55	-54.75
CC1=CC=C(C(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543489	0	54	0.0	-72.41	428.96	11.42	-60.99
CC1=CC=C(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543490	0	49	0.0	-74.51	377.11	10.41	-64.10
CC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012543491	0	54	0.0	-68.77	408.70	11.25	-57.52
CC1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543492	0	48	0.0	-74.37	367.39	9.05	-65.32
CCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543493	0	50	0.0	-65.77	385.54	9.21	-56.56
CC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012543494	0	50	0.0	-71.00	379.00	7.85	-63.15
CC1=CC=C(C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])[NH+](C)C)C=C1	REAL300012543495	0	52	0.0	-80.34	388.13	10.99	-69.35
CCN(C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012543496	0	53	0.0	-75.83	385.16	11.02	-64.81
CCCN(C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012543497	0	53	0.0	-48.10	394.82	11.10	-37.00
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+](C)C)C=C1	REAL300012543498	0	47	0.0	-66.14	381.10	9.76	-56.38
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+](C)C)C=C1	REAL300012543499	0	47	0.0	-66.14	381.10	9.76	-56.38
CC1=CC=C(C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543500	0	50	0.0	-75.49	370.04	10.27	-65.22
CC1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543501	0	48	0.0	-78.72	363.56	10.34	-68.38
CC1=CC=C(C(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012543502	0	60	0.0	-62.17	453.68	7.73	-54.44
CC1=CC=C(C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543503	0	49	0.0	-76.22	378.74	5.66	-70.56
CC1=CC=C(C(CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543504	0	55	0.0	-75.46	417.94	13.05	-62.41
CC1=CC=C(C(CNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543505	0	58	0.0	-60.32	430.54	12.49	-47.83
CCC[C@@H](NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543506	0	50	0.0	-66.29	385.45	9.16	-57.13
CC1=CC=C(C(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543507	0	56	0.0	-73.25	423.55	10.65	-62.60
CC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012543508	0	51	0.0	-67.54	400.12	10.49	-57.05
CC1=CC=C(C(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543509	0	56	0.0	-74.89	441.16	10.46	-64.43
C=CCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543510	0	51	0.0	-66.45	399.18	9.76	-56.69
CC1=CC=C(C(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543511	0	50	0.0	-71.02	412.35	7.45	-63.57
CC1=CC=C(C(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543512	0	51	0.0	-83.67	396.59	6.96	-76.71
CC1=CC=C(C(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543513	0	52	0.0	-69.33	394.75	8.62	-60.71
CC1=CC=C(C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543514	0	51	0.0	-76.25	383.41	9.89	-66.36
CC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012543515	0	50	0.0	-72.24	376.88	8.66	-63.58
CC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012543516	0	51	0.0	-67.08	400.37	10.52	-56.56
CC1=CC=C(C(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543517	0	54	0.0	-70.68	417.52	8.93	-61.75
CC1=CC=C(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543518	0	47	0.0	-65.46	358.07	8.39	-57.07
CCC[C@H](NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543519	0	50	0.0	-67.49	388.22	8.23	-59.26
CCN(C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012543520	0	50	0.0	-68.72	368.75	10.11	-58.61
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+](C)C)C=C1	REAL300012543521	0	54	0.0	-54.51	397.61	11.68	-42.83
CC1=CC=C(C(CNC(=O)N(C)CC(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543522	0	50	0.0	-73.42	375.23	9.90	-63.52
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543523	0	53	0.0	-69.08	398.79	8.40	-60.68
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C	REAL300012543524	0	50	0.0	-69.55	373.77	10.28	-59.27
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)[NH+](C)C)C=C1	REAL300012543525	0	52	0.0	-80.02	399.54	5.34	-74.68
CC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[NH+](C)C)C=C1	REAL300012543526	0	60	0.0	-70.07	449.00	8.78	-61.29
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)[NH+](C)C)C=C1	REAL300012543527	0	54	0.0	-71.70	403.94	9.19	-62.51
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)[NH+](C)C)C=C1	REAL300012543528	0	57	0.0	-74.72	411.49	9.79	-64.93
COCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543529	0	51	0.0	-66.14	397.71	7.51	-58.63
CC1=CC=C(C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543530	0	57	0.0	-73.08	431.87	13.37	-59.71
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)[NH+](C)C)C=C1	REAL300012543531	0	54	0.0	-76.07	405.22	9.85	-66.22
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)[NH+](C)C)C=C1	REAL300012543532	0	51	0.0	-73.13	389.00	8.78	-64.35
CC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[NH+](C)C)C=C1	REAL300012543533	0	60	0.0	-66.77	447.48	9.70	-57.07
CC1=CC=C(C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543534	0	49	0.0	-83.21	377.47	5.83	-77.38
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOC2)[NH+](C)C)C=C1	REAL300012543535	0	52	0.0	-71.96	394.32	6.48	-65.48
CC1=CC=C(C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])[NH+](C)C)C=C1	REAL300012543536	0	52	0.0	-80.81	388.66	10.50	-70.31
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)[NH+](C)C)C=C1	REAL300012543537	0	55	0.0	-77.36	435.50	9.59	-67.77
CC1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)[NH+](C)C)C=C1	REAL300012543538	0	50	0.0	-74.95	381.02	8.19	-66.76
CC1=CC=C(C(CNC(=O)N2CC(C)CCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543539	0	54	0.0	-76.93	398.53	11.24	-65.69
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012543540	0	57	0.0	-71.68	438.47	11.86	-59.82
CC1=CC=C(C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543541	0	58	0.0	-72.78	432.85	12.30	-60.48
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+](C)C)C=C1	REAL300012543542	0	51	0.0	-69.22	387.54	8.33	-60.89
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+](C)C)C=C1	REAL300012543543	0	57	0.0	-73.36	417.92	10.71	-62.65
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+](C)C)C=C1	REAL300012543544	0	51	0.0	-69.22	387.54	8.33	-60.89
CC1=CC=C(C(CNC(=O)N2CCC(C)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543545	0	51	0.0	-77.21	382.38	9.50	-67.71
C=CCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543546	0	48	0.0	-65.24	377.32	8.88	-56.36
CC1=CC=C(C(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543547	0	58	0.0	-75.10	441.62	8.62	-66.48
CC1=CC=C(C(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)[NH+](C)C)C=C1	REAL300012543548	0	58	0.0	-51.29	413.64	11.20	-40.09
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)[NH+](C)C)C=C1	REAL300012543549	0	58	0.0	-78.14	414.15	9.30	-68.84
CC1=CC=C(C(CNC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543550	0	58	0.0	-50.42	433.39	13.44	-36.98
CC1=CC=C(C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543551	0	52	0.0	-54.52	389.74	10.35	-44.17
CC1=CC=C(C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543552	0	58	0.0	-72.78	432.85	12.30	-60.48
CC1=CC=C(C(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543553	0	54	0.0	-76.70	429.47	11.58	-65.12
COC1CC(NC(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012543554	0	52	0.0	-77.05	402.03	7.11	-69.94
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)[NH+](C)C)C=C1	REAL300012543555	0	48	0.0	-71.38	373.74	9.07	-62.31
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012543556	0	52	0.0	-70.06	401.05	7.41	-62.65
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)[NH+](C)C)C=C1	REAL300012543557	0	51	0.0	-72.21	405.58	9.45	-62.76
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C	REAL300012543558	0	54	0.0	-75.95	396.58	11.16	-64.79
CC1=CC=C(C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543559	0	47	0.0	-60.60	379.94	9.15	-51.45
CC1=CC=C(C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543560	0	55	0.0	-66.79	416.57	8.06	-58.73
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])COC2)[NH+](C)C)C=C1	REAL300012543561	0	46	0.0	-66.72	356.14	6.09	-60.63
CC1=CC=C(C(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543562	0	51	0.0	-72.66	417.72	9.51	-63.15
COCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012543563	0	58	0.0	-68.52	444.55	9.51	-59.01
CC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012543564	0	53	0.0	-72.67	385.71	9.48	-63.19
CC1=CC=C(C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543565	0	49	0.0	-79.44	374.26	10.53	-68.91
CC1=CC=C(C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543566	0	52	0.0	-78.74	389.75	9.90	-68.84
CC1=CC=C(C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543567	0	57	0.0	-48.77	434.03	13.09	-35.68
CC1=CC=C(C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543568	0	60	0.0	-72.24	447.88	10.64	-61.60
CC1=CC=C(C(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543569	0	57	0.0	-68.12	446.24	12.21	-55.91
CC1=CC=C(C(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543570	0	57	0.0	-68.36	445.59	12.13	-56.23
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)[NH+](C)C)C=C1	REAL300012543571	0	58	0.0	-68.95	426.47	10.98	-57.97
CC1=CC=C(C(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543572	0	60	0.0	-72.22	447.88	10.64	-61.58
CC1=CC=C(C(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543573	0	60	0.0	-68.75	447.87	10.65	-58.10
CC1=CC=C(C(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543574	0	58	0.0	-35.42	419.04	11.88	-23.54
CC1=CC=C(C(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543575	0	58	0.0	-78.47	426.05	11.25	-67.22
COC1=CC=C(CC(NC(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012543576	0	58	0.0	-68.15	452.74	10.74	-57.41
C=CCSCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543577	0	52	0.0	-63.99	422.62	10.31	-53.68
CC1=CC=C(C(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543578	0	55	0.0	-67.96	443.24	11.85	-56.11
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C	REAL300012543579	0	53	0.0	-75.51	388.24	11.69	-63.82
COC1(C(NC(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012543580	0	55	0.0	-68.52	411.40	7.94	-60.58
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)[NH+](C)C)C=C1	REAL300012543581	0	57	0.0	-72.50	426.11	11.37	-61.13
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)[NH+](C)C)C=C1	REAL300012543582	0	58	0.0	-75.56	431.73	12.48	-63.08
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)[NH+](C)C)C=C1	REAL300012543583	0	51	0.0	-69.92	398.67	8.88	-61.04
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)[NH+](C)C)C=C1	REAL300012543585	0	60	0.0	-69.05	463.58	11.52	-57.53
CC1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543586	0	48	0.0	-75.52	373.12	9.46	-66.06
CC1=CC=C(C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543587	0	50	0.0	-35.82	373.34	10.76	-25.06
CC1=CC=C(C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543588	0	54	0.0	-75.51	399.11	10.89	-64.62
CCOC1=CC=C(C(NC(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012543589	0	58	0.0	-71.55	454.29	9.76	-61.79
CC1=CC=C(C(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543590	0	58	0.0	-76.34	423.15	12.21	-64.13
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)[NH+](C)C)C=C1	REAL300012543591	0	58	0.0	-68.32	442.34	12.28	-56.04
CC1=CC=C(C(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543592	0	58	0.0	-78.07	443.47	11.54	-66.53
CC1=CC=C(C(CNC(=O)NC(CCC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543593	0	56	0.0	-65.93	424.61	10.51	-55.42
CC1=CC=C(C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543594	0	55	0.0	-53.80	413.89	10.86	-42.94
CC1=CC=C(C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543595	0	55	0.0	-66.79	416.57	8.06	-58.73
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C1	REAL300012543596	0	52	0.0	-72.61	410.00	10.54	-62.07
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)[NH+](C)C)C=C1	REAL300012543597	0	55	0.0	-72.50	399.58	11.18	-61.32
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)[NH+](C)C)C=C1	REAL300012543598	0	52	0.0	-75.97	389.90	9.38	-66.59
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)[NH+](C)C)C=C1	REAL300012543599	0	55	0.0	-75.52	408.56	10.76	-64.76
CC1=CC=C(C(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543600	0	57	0.0	-66.38	430.33	13.23	-53.15
CC1=CC=C(C(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)[NH+](C)C)C=C1	REAL300012543601	0	61	0.0	-56.43	442.08	11.81	-44.62
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCC2)[NH+](C)C)C=C1	REAL300012543602	0	54	0.0	-68.59	403.57	9.03	-59.56
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543603	0	51	0.0	-69.60	397.55	6.68	-62.92
CC1=CC=C(C(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)[NH+](C)C)C=C1	REAL300012543604	0	51	0.0	-76.73	391.01	9.18	-67.55
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012543605	0	54	0.0	-61.20	424.34	12.25	-48.95
CC1=CC=C(C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543606	0	54	0.0	-54.95	408.19	10.00	-44.95
CC1=CC=C(C(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543607	0	51	0.0	-74.64	388.27	10.49	-64.15
CC1=CC=C(C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543608	0	48	0.0	-83.62	374.66	10.37	-73.25
CC1=CC=C(C(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543609	0	54	0.0	-76.70	429.47	11.58	-65.12
CC1=CC=C(C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543610	0	51	0.0	-70.96	416.56	9.45	-61.51
CC1=CC=C(C(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543611	0	51	0.0	-69.77	395.31	10.01	-59.76
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)[NH+](C)C)C=C1	REAL300012543612	0	55	0.0	-77.25	428.06	11.18	-66.07
CC1=CC=C(C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543613	0	51	0.0	-70.96	416.56	9.45	-61.51
CC1=CC=C(C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543614	0	55	0.0	-76.48	405.26	10.72	-65.76
COCCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543615	0	54	0.0	-65.34	419.21	8.28	-57.06
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C	REAL300012543616	0	53	0.0	-63.51	396.76	11.35	-52.16
CCOCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012543617	0	51	0.0	-66.96	398.10	7.64	-59.32
CC1=CC=C(C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543618	0	56	0.0	-73.22	415.28	10.78	-62.44
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCO2)[NH+](C)C)C=C1	REAL300012543619	0	55	0.0	-74.63	414.94	8.88	-65.75
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)[NH+](C)C)C=C1	REAL300012543620	0	55	0.0	-70.94	421.99	10.70	-60.24
CC1=CC=C(C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012543621	0	52	0.0	-74.24	387.81	8.66	-65.58
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)[NH+](C)C)C=C1	REAL300012543623	0	51	0.0	-61.79	406.00	10.39	-51.40
CC1=CC=C(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012543624	0	47	0.0	-63.54	353.85	9.25	-54.29
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C1	REAL300012543625	0	55	0.0	-71.60	421.09	9.40	-62.20
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCCN2C=CN=C2)CC1	REAL300012544060	0	56	0.0	-63.02	430.94	8.30	-54.72
CC(C)C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544177	0	53	0.0	-69.78	383.48	7.11	-62.67
C=CCOCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544178	0	52	0.0	-69.12	390.91	5.59	-63.53
C=CC(C)C(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544179	0	51	0.0	-69.85	369.59	6.71	-63.14
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012544180	0	55	0.0	-69.26	394.80	5.85	-63.41
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012544181	0	51	0.0	-65.16	393.68	8.00	-57.16
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012544182	0	51	0.0	-65.02	403.57	8.45	-56.57
COC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C(C(=O)[O-])C1	REAL300012544183	0	55	0.0	-77.65	385.34	7.82	-69.83
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012544184	0	55	0.0	-68.69	389.26	5.61	-63.08
CC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C(C(=O)[O-])C1	REAL300012544185	0	54	0.0	-76.19	375.47	9.30	-66.89
CC1=CC(C(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])=CC=C1F	REAL300012544186	0	54	0.0	-67.05	407.43	8.65	-58.40
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012544187	0	56	0.0	-68.87	416.61	7.79	-61.08
CC1=CC(C)=CC(C(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])=C1	REAL300012544188	0	57	0.0	-70.48	423.78	9.19	-61.29
CC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1C	REAL300012544189	0	57	0.0	-71.09	419.15	9.16	-61.93
COC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1Cl	REAL300012544190	0	55	0.0	-69.72	426.22	7.80	-61.92
CC1=CC=CC(C(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])=C1C	REAL300012544191	0	57	0.0	-70.77	410.92	8.89	-61.88
COC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1F	REAL300012544192	0	55	0.0	-70.61	416.41	7.32	-63.29
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CCC1	REAL300012544193	0	54	0.0	-58.37	377.35	8.76	-49.61
CCCN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C(COC)C(=O)[O-]	REAL300012544194	0	57	0.0	-72.20	407.08	9.28	-62.92
CCCN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C(CC)C(=O)[O-]	REAL300012544195	0	56	0.0	-71.81	397.08	10.28	-61.53
CC(C)(C)[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012544196	0	51	0.0	-77.51	355.16	8.94	-68.57
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012544197	0	51	0.0	-65.54	397.05	8.43	-57.11
CC(C)(C)[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012544198	0	49	0.0	-74.64	354.78	8.82	-65.82
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012544199	0	54	0.0	-71.01	374.30	8.01	-63.00
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012544200	0	51	0.0	-72.89	359.25	6.87	-66.02
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012544201	0	57	0.0	-71.58	379.93	8.66	-62.92
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012544202	0	54	0.0	-71.10	403.21	8.81	-62.29
CC(C)(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012544203	0	54	0.0	-55.13	401.71	10.62	-44.51
CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012544204	0	51	0.0	-69.23	380.73	7.95	-61.28
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012544205	0	51	0.0	-70.23	380.72	7.95	-62.28
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012544206	0	54	0.0	-71.10	403.21	8.81	-62.29
CCC(C)C(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544207	0	53	0.0	-69.05	376.02	6.76	-62.29
CC(C)(C)[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012544208	0	51	0.0	-77.51	355.16	8.94	-68.57
CCCC(C)(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544209	0	53	0.0	-68.67	370.42	6.92	-61.75
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544210	0	53	0.0	-54.37	378.62	8.68	-45.69
CC(C)(C)[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012544211	0	55	0.0	-77.72	393.11	10.97	-66.75
CC(C)(C)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012544212	0	51	0.0	-69.56	358.35	6.92	-62.64
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012544213	0	48	0.0	-67.50	372.33	7.03	-60.47
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012544214	0	54	0.0	-71.01	374.30	8.01	-63.00
CC(C)(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012544215	0	54	0.0	-52.89	418.44	11.14	-41.75
CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012544216	0	58	0.0	-71.23	431.44	8.91	-62.32
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544217	0	53	0.0	-67.75	374.37	6.75	-61.00
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012544218	0	51	0.0	-72.89	359.25	6.87	-66.02
CC(C)(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012544219	0	54	0.0	-53.10	408.12	10.69	-42.41
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012544220	0	55	0.0	-70.25	398.90	9.05	-61.20
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012544221	0	51	0.0	-68.96	391.55	8.10	-60.86
CC(C)(C)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012544222	0	54	0.0	-69.51	388.74	8.65	-60.86
CCCCCCC(C)(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544223	0	62	0.0	-68.95	434.91	9.26	-59.69
CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012544224	0	57	0.0	-69.11	411.79	10.74	-58.37
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012544225	0	51	0.0	-65.54	397.05	8.43	-57.11
CC(C)(C)[NH+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012544226	0	49	0.0	-73.99	345.73	6.25	-67.74
CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C1(C(=O)[O-])CCCCC1	REAL300012544227	0	57	0.0	-74.34	383.56	9.32	-65.02
CC(C)(C)[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012544228	0	57	0.0	-56.02	424.13	11.40	-44.62
CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012544229	0	54	0.0	-73.81	389.52	9.85	-63.96
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544230	0	51	0.0	-55.92	374.09	6.80	-49.12
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012544231	0	55	0.0	-73.04	395.84	8.96	-64.08
CC(C)(C)[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012544232	0	51	0.0	-75.99	354.64	8.70	-67.29
CC(C)(C)[NH+]1CCC(NC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012544233	0	51	0.0	-73.28	360.63	8.24	-65.04
CC(C)(C)[NH+]1CCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012544234	0	58	0.0	-77.58	437.12	8.76	-68.82
CC(C)(C)[NH+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012544235	0	54	0.0	-74.22	368.94	9.64	-64.58
CCCCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544236	0	53	0.0	-67.40	386.95	7.36	-60.04
CC(C)(C)[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012544237	0	57	0.0	-56.02	424.13	11.40	-44.62
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012544238	0	51	0.0	-73.22	360.62	8.24	-64.98
CC(C)(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012544239	0	54	0.0	-53.00	372.99	8.97	-44.03
COCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544240	0	48	0.0	-70.69	356.50	4.08	-66.61
CCCCCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544241	0	56	0.0	-68.91	409.03	8.19	-60.72
CCC1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)(C(=O)[O-])CC1	REAL300012544242	0	60	0.0	-72.45	413.38	9.26	-63.19
CC(C)(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012544243	0	55	0.0	-56.37	387.50	7.51	-48.86
CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C1(C(=O)[O-])CCCC1	REAL300012544244	0	54	0.0	-73.97	372.11	8.89	-65.08
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CC1	REAL300012544245	0	51	0.0	-57.10	361.39	8.35	-48.75
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CC1	REAL300012544246	0	54	0.0	-60.16	381.50	9.40	-50.76
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012544247	0	51	0.0	-70.92	393.63	8.33	-62.59
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012544248	0	51	0.0	-74.78	385.39	7.95	-66.83
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012544249	0	55	0.0	-58.00	395.79	10.31	-47.69
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012544250	0	54	0.0	-71.97	417.10	9.09	-62.88
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012544251	0	60	0.0	-73.14	446.89	10.87	-62.27
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012544252	0	60	0.0	-69.71	424.91	9.07	-60.64
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544253	0	57	0.0	-53.50	413.89	11.24	-42.26
CC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1	REAL300012544254	0	54	0.0	-70.04	401.72	8.58	-61.46
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012544255	0	47	0.0	-63.70	360.72	6.49	-57.21
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012544256	0	57	0.0	-71.62	426.33	10.17	-61.45
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012544257	0	52	0.0	-68.78	371.98	7.68	-61.10
COCC(C)(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544258	0	51	0.0	-72.87	367.16	5.45	-67.42
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544259	0	54	0.0	-66.38	386.55	7.31	-59.07
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544260	0	53	0.0	-54.37	378.62	8.68	-45.69
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544261	0	60	0.0	-53.09	429.78	11.96	-41.13
CC(C)(C)[NH+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012544262	0	50	0.0	-54.87	382.34	8.76	-46.11
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012544263	0	49	0.0	-68.17	350.42	4.31	-63.86
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012544264	0	57	0.0	-69.30	397.86	8.08	-61.22
CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012544265	0	58	0.0	-67.51	414.32	8.52	-58.99
CC(C)(C)[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012544266	0	58	0.0	-76.39	418.83	11.97	-64.42
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012544267	0	52	0.0	-71.91	365.73	5.52	-66.39
C=CCCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544268	0	51	0.0	-69.18	379.09	7.12	-62.06
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544269	0	57	0.0	-50.55	410.68	11.65	-38.90
CCC(CC)(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544270	0	53	0.0	-68.17	365.59	7.06	-61.11
COC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1	REAL300012544271	0	55	0.0	-69.44	410.41	7.16	-62.28
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544272	0	53	0.0	-54.31	373.44	8.95	-45.36
CCC(COC)(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544273	0	54	0.0	-74.21	383.60	6.36	-67.85
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544274	0	57	0.0	-66.73	406.63	7.96	-58.77
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012544275	0	54	0.0	-73.67	390.80	4.00	-69.67
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012544276	0	51	0.0	-67.75	376.66	7.30	-60.45
COCCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544277	0	51	0.0	-69.32	378.21	4.92	-64.40
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544278	0	56	0.0	-66.71	394.02	9.24	-57.47
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012544279	0	47	0.0	-67.67	357.13	6.08	-61.59
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544280	0	57	0.0	-77.38	395.39	10.23	-67.15
CCCN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C(C)C(=O)[O-]	REAL300012544281	0	53	0.0	-48.79	375.54	9.17	-39.62
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544282	0	57	0.0	-73.26	411.96	11.48	-61.78
CCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012544283	0	57	0.0	-68.08	422.37	10.03	-58.05
CCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012544284	0	57	0.0	-71.34	405.71	9.54	-61.80
COC1CCCC(C(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C1	REAL300012544285	0	61	0.0	-73.88	430.97	7.00	-66.88
CC(C)(C)[NH+]1CCC(NC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012544286	0	47	0.0	-68.28	351.37	5.94	-62.34
COC1(CC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])CCC1	REAL300012544287	0	58	0.0	-67.36	414.89	6.96	-60.40
CC(C)(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012544288	0	55	0.0	-56.37	387.50	7.51	-48.86
CC(C)(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012544289	0	57	0.0	-54.47	396.44	9.89	-44.58
C[C@H]1CC[C@@](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)(C(=O)[O-])CC1	REAL300012544290	0	57	0.0	-72.82	388.12	8.39	-64.43
COC1=CC=CC(C(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])=C1	REAL300012544291	0	55	0.0	-72.86	410.48	7.16	-65.70
CC(C)(C)[NH+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012544292	0	50	0.0	-65.62	355.51	6.31	-59.31
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012544293	0	52	0.0	-59.80	378.67	8.49	-51.31
CC(C)(C)[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012544294	0	48	0.0	-67.99	357.43	7.49	-60.50
COC1=CC=CC([C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])=C1	REAL300012544295	0	55	0.0	-72.32	409.84	7.20	-65.12
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1	REAL300012544296	0	57	0.0	-75.87	409.85	9.61	-66.26
COC1=CC=CC(CC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])=C1	REAL300012544297	0	58	0.0	-70.11	432.66	8.12	-61.99
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012544298	0	60	0.0	-73.67	402.23	8.89	-64.78
CC(C)(C)[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012544299	0	49	0.0	-80.06	351.97	8.29	-71.77
CC(C)(C)[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300012544300	0	57	0.0	-68.10	423.07	9.52	-58.58
CC(C)(C)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012544301	0	56	0.0	-66.36	416.95	9.32	-57.04
COC1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C(C)(C(=O)[O-])C1	REAL300012544302	0	55	0.0	-73.53	393.95	7.21	-66.32
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012544303	0	58	0.0	-67.93	411.70	7.38	-60.55
CC(C)(C)[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544304	0	53	0.0	-67.83	373.97	6.93	-60.90
C=C(Cl)CC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544305	0	48	0.0	-65.17	373.02	6.98	-58.19
C=C(C)CC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544306	0	51	0.0	-68.11	378.63	6.99	-61.12
CC(C)(C)[NH+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012544307	0	52	0.0	-81.39	365.64	9.13	-72.26
CC(C)(C)[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012544308	0	57	0.0	-68.69	412.75	9.07	-59.62
CC(C)(C)[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012544309	0	48	0.0	-69.85	358.73	7.46	-62.39
CC(C)(C)[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012544310	0	48	0.0	-73.33	350.96	7.39	-65.94
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1	REAL300012544311	0	49	0.0	-75.28	357.73	7.82	-67.46
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012544312	0	58	0.0	-69.29	411.80	7.35	-61.94
CC(C)C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544313	0	53	0.0	-69.78	383.48	7.11	-62.67
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012544314	0	55	0.0	-69.26	394.80	5.85	-63.41
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012544315	0	51	0.0	-70.23	380.72	7.95	-62.28
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012544316	0	51	0.0	-67.75	376.66	7.30	-60.45
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012544317	0	50	0.0	-68.25	389.71	6.01	-62.24
CC(C)CCCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544318	0	59	0.0	-69.36	426.84	8.64	-60.72
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012544319	0	57	0.0	-71.39	431.81	9.29	-62.10
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012544320	0	55	0.0	-72.54	400.97	6.18	-66.36
CSCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544321	0	48	0.0	-66.45	368.24	6.22	-60.23
COC[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544322	0	48	0.0	-69.73	356.65	4.04	-65.69
CC(C)(C)[NH+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012544323	0	54	0.0	-67.65	409.62	8.88	-58.77
CCC(C)CC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544324	0	56	0.0	-69.71	401.71	7.75	-61.96
C=CCCCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544325	0	54	0.0	-67.77	400.59	7.90	-59.87
CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012544326	0	54	0.0	-68.71	409.57	8.88	-59.83
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012544327	0	57	0.0	-73.55	420.73	10.06	-63.49
CC(C)(C)[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012544328	0	49	0.0	-74.64	354.78	8.82	-65.82
CC(C)(C)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012544329	0	54	0.0	-69.51	388.74	8.65	-60.86
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012544330	0	52	0.0	-79.58	365.09	9.28	-70.30
CCN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C(C)(C)C(=O)[O-]	REAL300012544331	0	53	0.0	-71.70	369.47	8.55	-63.15
CCCN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C(C)C(=O)[O-]	REAL300012544332	0	53	0.0	-48.79	375.54	9.17	-39.62
CC(C)(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012544333	0	47	0.0	-64.46	357.34	8.11	-56.35
CC(C)(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012544334	0	47	0.0	-64.46	357.34	8.11	-56.35
CC(C)(C)[NH+]1CCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012544335	0	60	0.0	-57.69	431.05	6.10	-51.59
CC(C)(C)[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012544336	0	49	0.0	-76.08	355.57	4.00	-72.08
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1	REAL300012544337	1	64	0.0	-57.49	456.25	5.97	-51.52
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544338	0	55	0.0	-53.70	397.88	10.73	-42.97
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1C(=O)[O-]	REAL300012544339	0	58	0.0	-60.24	407.51	10.86	-49.38
CC(C)(C)[NH+]1CCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012544340	0	56	0.0	-69.06	400.84	9.03	-60.03
CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012544341	0	51	0.0	-69.23	380.73	7.95	-61.28
CC(C)(C)[NH+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012544342	0	56	0.0	-69.37	420.24	7.84	-61.53
C=CCCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544343	0	51	0.0	-69.18	379.09	7.12	-62.06
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012544344	0	50	0.0	-72.00	389.49	5.87	-66.13
CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012544345	0	51	0.0	-65.97	409.24	7.63	-58.34
CC(C)(C)[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012544346	0	51	0.0	-82.66	374.12	5.24	-77.42
CN1CC(C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1=O	REAL300012544347	0	52	0.0	-69.14	371.39	6.97	-62.17
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012544348	0	51	0.0	-73.24	360.60	8.25	-64.99
CC(C)(C)[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012544349	0	51	0.0	-69.00	380.32	7.91	-61.09
CC(C)(C)[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012544350	0	54	0.0	-70.61	390.39	7.21	-63.40
CC(C)(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012544351	0	54	0.0	-53.00	372.99	8.97	-44.03
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544352	0	53	0.0	-67.75	374.37	6.75	-61.00
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012544353	0	52	0.0	-78.11	376.55	3.68	-74.43
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544354	0	60	0.0	-72.07	428.23	7.05	-65.02
CC1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)(C(=O)[O-])C1	REAL300012544355	0	54	0.0	-71.27	380.85	7.52	-63.75
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012544356	0	57	0.0	-73.11	388.65	8.13	-64.98
COCCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544357	0	51	0.0	-69.32	378.21	4.92	-64.40
CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012544358	0	57	0.0	-69.11	411.79	10.74	-58.37
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012544359	0	54	0.0	-72.63	382.36	8.21	-64.42
CC1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012544360	0	61	0.0	-72.00	429.59	10.20	-61.80
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012544361	0	51	0.0	-71.99	368.40	7.16	-64.83
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544362	0	60	0.0	-70.97	428.58	7.08	-63.89
CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012544363	0	49	0.0	-81.27	354.26	4.20	-77.07
CC(C)(C)[NH+]1CCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012544364	0	59	0.0	-60.44	423.21	11.43	-49.01
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012544365	0	52	0.0	-67.03	377.50	4.94	-62.09
CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012544366	0	52	0.0	-77.34	365.64	8.83	-68.51
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012544367	0	55	0.0	-76.42	412.62	8.01	-68.41
CC(C)(C)[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012544368	0	50	0.0	-75.06	358.17	6.53	-68.53
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1	REAL300012544369	0	54	0.0	-77.04	375.98	9.59	-67.45
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544370	0	57	0.0	-69.41	419.94	9.22	-60.19
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012544371	0	58	0.0	-68.21	413.02	9.61	-58.60
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012544372	0	51	0.0	-68.39	364.45	6.76	-61.63
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012544373	0	64	0.0	-70.11	438.17	8.65	-61.46
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012544374	0	57	0.0	-69.30	397.86	8.08	-61.22
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012544375	0	51	0.0	-68.39	364.45	6.76	-61.63
CC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1C(=O)[O-]	REAL300012544376	0	51	0.0	-76.43	364.86	7.99	-68.44
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012544377	0	58	0.0	-67.35	416.77	7.60	-59.75
CC(C)(C)[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012544378	0	58	0.0	-49.30	390.52	9.55	-39.75
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012544379	0	58	0.0	-71.30	394.82	6.80	-64.50
CC1=CC=CC2=C1CCN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C2C(=O)[O-]	REAL300012544380	0	58	0.0	-61.15	413.82	10.76	-50.39
CC(C)(C)[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012544381	0	52	0.0	-51.74	366.28	8.74	-43.00
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012544382	0	58	0.0	-68.21	413.02	9.61	-58.60
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012544383	0	54	0.0	-71.08	409.63	8.88	-62.20
COC1CC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)(C(=O)[O-])C1	REAL300012544384	0	52	0.0	-74.40	379.28	5.46	-68.94
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012544385	0	48	0.0	-70.25	354.34	6.53	-63.72
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)(C(=O)[O-])C1	REAL300012544386	0	52	0.0	-69.78	378.04	5.74	-64.04
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012544387	0	51	0.0	-72.13	384.91	7.56	-64.57
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544388	0	54	0.0	-77.12	373.94	9.49	-67.63
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012544389	0	47	0.0	-63.70	360.72	6.49	-57.21
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012544390	0	55	0.0	-70.10	398.90	5.92	-64.18
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012544391	0	51	0.0	-68.57	394.25	7.90	-60.67
COCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012544392	0	58	0.0	-69.80	421.92	7.86	-61.94
CC(C)C(C)(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544393	0	53	0.0	-69.45	365.65	6.85	-62.60
CC(C)(C)[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012544394	0	49	0.0	-77.21	350.78	8.86	-68.35
CC(C)(C)[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012544395	0	52	0.0	-75.95	366.77	8.27	-67.68
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544396	0	57	0.0	-73.26	411.96	11.48	-61.78
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012544397	0	60	0.0	-69.71	424.91	9.07	-60.64
CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012544398	0	57	0.0	-70.42	426.18	9.59	-60.83
CC(C)(C)[NH+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012544399	0	57	0.0	-69.99	425.96	9.65	-60.34
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012544400	0	58	0.0	-71.90	407.51	8.63	-63.27
CC(C)(C)[NH+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012544401	0	60	0.0	-70.07	425.17	9.00	-61.07
CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012544402	0	60	0.0	-70.12	425.12	9.01	-61.11
CC(C)(C)[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012544403	0	58	0.0	-51.20	405.31	9.68	-41.52
CC(C)(C)[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012544404	0	58	0.0	-75.94	403.30	9.62	-66.32
COC1=CC=C(CC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1	REAL300012544405	0	58	0.0	-71.79	432.71	8.11	-63.68
C=CCSCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544406	0	52	0.0	-65.06	401.85	7.71	-57.35
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012544407	0	55	0.0	-68.75	424.05	9.20	-59.55
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544408	0	53	0.0	-66.78	369.50	8.61	-58.17
COC1(C(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])CCC1	REAL300012544409	0	55	0.0	-65.48	391.73	5.43	-60.05
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012544410	0	57	0.0	-70.18	405.92	8.80	-61.38
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012544411	0	58	0.0	-71.50	412.22	9.92	-61.58
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012544412	0	51	0.0	-68.76	376.14	7.23	-61.53
CC(C)(C)C1=CC=C(C(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1	REAL300012544414	0	63	0.0	-69.30	457.17	10.20	-59.10
CC(C)C1=CC=C(C(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1	REAL300012544415	0	60	0.0	-69.30	441.16	9.80	-59.50
CC(C)(C)[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012544416	0	48	0.0	-73.33	350.96	7.39	-65.94
CC(C)(C)[NH+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012544417	0	50	0.0	-53.78	359.56	8.53	-45.25
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012544418	0	54	0.0	-75.57	379.66	8.36	-67.21
CCOC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1	REAL300012544419	0	58	0.0	-69.30	432.28	8.09	-61.21
CC(C)(C)[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012544420	0	58	0.0	-75.72	400.15	10.38	-65.34
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012544421	0	58	0.0	-71.22	422.95	9.74	-61.48
CC(C)(C)[NH+]1CCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012544422	0	58	0.0	-74.73	423.38	8.91	-65.82
CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012544423	0	54	0.0	-72.12	417.18	8.81	-63.31
CC(C)CCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544424	0	56	0.0	-69.08	405.11	7.92	-61.16
CC(C)(C)[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012544425	0	55	0.0	-54.03	391.36	9.13	-44.90
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012544426	0	55	0.0	-70.10	398.90	5.92	-64.18
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1	REAL300012544427	0	52	0.0	-72.82	386.84	8.88	-63.94
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012544428	0	55	0.0	-74.80	380.13	8.64	-66.16
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012544429	0	52	0.0	-74.30	367.28	7.73	-66.57
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012544430	0	55	0.0	-70.70	388.54	8.11	-62.59
CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012544431	0	57	0.0	-68.40	413.82	10.78	-57.62
CC(C)(C)[NH+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012544432	0	61	0.0	-51.24	419.57	10.15	-41.09
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012544433	0	54	0.0	-68.81	386.56	7.52	-61.29
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544434	0	51	0.0	-70.78	374.78	5.04	-65.74
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544435	0	51	0.0	-70.64	358.96	7.03	-63.61
CC(C)(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012544436	0	54	0.0	-55.13	401.71	10.62	-44.51
CC(C)(C)[NH+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012544437	0	54	0.0	-51.46	383.41	8.49	-42.97
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012544438	0	55	0.0	-55.07	408.10	10.29	-44.78
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012544439	0	51	0.0	-74.32	365.93	8.84	-65.48
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012544440	0	48	0.0	-78.31	357.51	7.44	-70.87
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012544441	0	54	0.0	-71.08	409.63	8.88	-62.20
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012544442	0	51	0.0	-69.47	393.79	7.79	-61.68
CC(C)(C)[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012544443	0	51	0.0	-67.92	372.73	8.36	-59.56
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012544444	0	55	0.0	-72.82	407.97	8.53	-64.29
CC(C)(C)[NH+]1CCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300012544445	0	59	0.0	-74.29	430.76	10.11	-64.18
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012544446	0	51	0.0	-69.47	393.79	7.79	-61.68
CC(C)(C)[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012544447	0	55	0.0	-76.02	382.43	8.85	-67.17
COCCCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544448	0	54	0.0	-66.95	399.12	5.65	-61.30
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300012544449	0	53	0.0	-65.99	376.70	8.57	-57.42
CCOCC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544450	0	51	0.0	-69.50	378.01	5.01	-64.49
CC(C)(C)CC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300012544451	0	56	0.0	-69.62	395.37	8.26	-61.36
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012544452	0	55	0.0	-71.11	396.04	6.36	-64.75
CC(C)(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012544453	0	55	0.0	-70.25	398.90	9.05	-61.20
C[C@H]1OCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1C(=O)[O-]	REAL300012544454	0	52	0.0	-75.87	366.56	7.23	-68.64
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012544455	0	54	0.0	-67.92	386.00	8.70	-59.22
CC(C)(C)[NH+]1CCC(NC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012544456	0	48	0.0	-70.78	365.64	6.30	-64.48
CC(C)(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300012544457	0	65	0.0	-73.40	436.66	9.97	-63.43
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012544458	0	57	0.0	-72.30	432.88	9.12	-63.18
CC(C)(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012544459	0	51	0.0	-57.75	383.37	8.76	-48.99
CC(C)(C)[NH+]1CCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012544460	0	62	0.0	-74.75	417.12	9.22	-65.53
CC(C)(C)[NH+]1CCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012544461	0	53	0.0	-65.34	414.95	7.43	-57.91
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1	REAL300012544462	0	55	0.0	-75.16	398.67	7.65	-67.51
CC(C)C[C@H](NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544463	0	53	0.0	-73.30	392.16	7.92	-65.38
C=CCOCC(NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544464	0	52	0.0	-74.00	399.46	6.37	-67.63
C=CC(C)C(NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544465	0	51	0.0	-73.16	378.90	7.47	-65.69
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C[NH+]1CCCCC1	REAL300012544466	0	55	0.0	-74.71	397.25	6.45	-68.26
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C[NH+]1CCCCC1	REAL300012544467	0	51	0.0	-67.21	401.77	8.85	-58.36
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C[NH+]1CCCCC1	REAL300012544468	0	51	0.0	-67.72	412.26	9.28	-58.44
COC1CCN(C(=O)NCC(C)C[NH+]2CCCCC2)C(C(=O)[O-])C1	REAL300012544469	0	55	0.0	-81.23	395.53	8.53	-72.70
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C[NH+]1CCCCC1	REAL300012544470	0	55	0.0	-69.73	397.84	6.40	-63.33
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544471	0	54	0.0	-82.33	384.58	10.32	-72.01
CC1=CC(C(NC(=O)NCC(C)C[NH+]2CCCCC2)C(=O)[O-])=CC=C1F	REAL300012544472	0	54	0.0	-70.74	416.25	9.48	-61.26
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C[NH+]1CCCCC1	REAL300012544473	0	56	0.0	-73.94	424.79	8.54	-65.40
CC1=CC(C)=CC(C(NC(=O)NCC(C)C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300012544474	0	57	0.0	-74.78	432.30	10.11	-64.67
CC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCCCC2)C(=O)[O-])C=C1C	REAL300012544475	0	57	0.0	-73.79	427.49	9.93	-63.86
COC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCCCC2)C(=O)[O-])C=C1Cl	REAL300012544476	0	55	0.0	-70.45	434.59	8.59	-61.86
CC1=CC=CC(C(NC(=O)NCC(C)C[NH+]2CCCCC2)C(=O)[O-])=C1C	REAL300012544477	0	57	0.0	-72.77	418.74	9.72	-63.05
COC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300012544478	0	55	0.0	-70.65	424.79	8.10	-62.55
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)C[NH+]1CCCCC1	REAL300012544479	0	54	0.0	-58.84	384.53	9.45	-49.39
CCCN(C(=O)NCC(C)C[NH+]1CCCCC1)C(COC)C(=O)[O-]	REAL300012544480	0	57	0.0	-74.04	415.48	10.07	-63.97
CCCN(C(=O)NCC(C)C[NH+]1CCCCC1)C(CC)C(=O)[O-]	REAL300012544481	0	56	0.0	-53.94	397.19	10.98	-42.96
CC(CNC(=O)N1CCCCC1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544482	0	51	0.0	-82.06	363.66	9.71	-72.35
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C[NH+]1CCCCC1	REAL300012544483	0	51	0.0	-70.25	405.59	9.21	-61.04
CC(CNC(=O)N1CCSCC1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544484	0	49	0.0	-78.67	363.09	9.51	-69.16
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)C[NH+]1CCCCC1	REAL300012544485	0	54	0.0	-76.46	383.05	8.85	-67.61
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)C[NH+]1CCCCC1	REAL300012544486	0	51	0.0	-76.34	368.53	7.75	-68.59
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C[NH+]1CCCCC1	REAL300012544487	0	57	0.0	-77.06	388.71	9.52	-67.54
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544488	0	54	0.0	-73.31	411.51	9.67	-63.64
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C[NH+]1CCCCC1	REAL300012544489	0	54	0.0	-60.70	410.25	11.41	-49.29
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCCC1	REAL300012544490	0	51	0.0	-71.27	389.31	8.74	-62.53
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCCC1	REAL300012544491	0	51	0.0	-73.85	388.85	8.69	-65.16
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544492	0	54	0.0	-73.31	411.51	9.67	-63.64
CCC(C)C(NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544493	0	53	0.0	-71.66	386.44	7.84	-63.82
CC(CNC(=O)N1CCCCC1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544494	0	51	0.0	-82.06	363.66	9.71	-72.35
CCCC(C)(NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544495	0	53	0.0	-72.61	378.96	7.73	-64.88
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCCCC1	REAL300012544496	0	53	0.0	-60.50	387.41	9.68	-50.82
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544497	0	55	0.0	-81.65	401.20	11.70	-69.95
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C[NH+]1CCCCC1	REAL300012544498	0	51	0.0	-74.08	367.09	7.72	-66.36
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C[NH+]1CCCCC1	REAL300012544499	0	48	0.0	-71.62	381.40	7.80	-63.82
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)C[NH+]1CCCCC1	REAL300012544500	0	54	0.0	-76.46	383.05	8.85	-67.61
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C[NH+]1CCCCC1	REAL300012544501	0	54	0.0	-58.29	426.98	11.93	-46.36
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CC(CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544520	0	58	0.0	-79.69	445.69	9.65	-70.04
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CC(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C[NH+]1CCCCC1	REAL300012544542	0	57	0.0	-75.53	435.45	11.04	-64.49
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CC(CNC(=O)NC1(C(=O)[O-])CCOCC1)C[NH+]1CCCCC1	REAL300012544553	0	52	0.0	-74.65	374.26	6.31	-68.34
C=CCCC(NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544554	0	51	0.0	-71.89	386.80	7.93	-63.96
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CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCCCC1	REAL300012544560	0	57	0.0	-70.86	415.86	8.71	-62.15
CC(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C[NH+]1CCCCC1	REAL300012544561	0	54	0.0	-77.53	399.58	4.84	-72.69
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CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCCCC1	REAL300012544564	0	56	0.0	-71.38	402.58	10.05	-61.33
CC(CNC(=O)NC(CC(F)F)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544565	0	47	0.0	-67.79	363.11	7.13	-60.66
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)C[NH+]1CCCCC1	REAL300012544566	0	57	0.0	-81.48	404.10	11.05	-70.43
CCCN(C(=O)NCC(C)C[NH+]1CCCCC1)C(C)C(=O)[O-]	REAL300012544567	0	53	0.0	-53.17	382.44	10.07	-43.10
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544568	0	57	0.0	-75.12	415.51	12.15	-62.97
CCC(NC(=O)NCC(C)C[NH+]1CCCCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012544569	0	57	0.0	-72.16	430.93	10.83	-61.33
CCC(NC(=O)NCC(C)C[NH+]1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012544570	0	57	0.0	-74.55	414.26	10.34	-64.21
COC1CCCC(C(NC(=O)NCC(C)C[NH+]2CCCCC2)C(=O)[O-])C1	REAL300012544571	0	61	0.0	-78.06	438.97	7.88	-70.18
CC(CNC(=O)NC(CCF)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544572	0	47	0.0	-71.77	359.92	6.73	-65.04
COC1(CC(NC(=O)NCC(C)C[NH+]2CCCCC2)C(=O)[O-])CCC1	REAL300012544573	0	58	0.0	-74.23	423.01	8.01	-66.22
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CC(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)C[NH+]1CCCCC1	REAL300012544576	0	57	0.0	-76.64	396.93	9.22	-67.42
COC1=CC=CC(C(NC(=O)NCC(C)C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300012544577	0	55	0.0	-75.88	419.17	8.00	-67.88
CC(CNC(=O)NC(C)(CCF)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544578	0	50	0.0	-69.42	364.05	7.11	-62.31
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544579	0	52	0.0	-63.43	386.44	9.19	-54.24
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544580	0	48	0.0	-68.39	367.25	8.23	-60.16
COC1=CC=CC([C@H](NC(=O)NCC(C)C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300012544581	0	55	0.0	-75.87	419.08	7.96	-67.91
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCCCC2)C1	REAL300012544582	0	57	0.0	-80.19	418.27	10.38	-69.81
COC1=CC=CC(CC(NC(=O)NCC(C)C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300012544583	0	58	0.0	-76.76	441.49	8.94	-67.82
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C[NH+]1CCCCC1	REAL300012544584	0	60	0.0	-77.69	410.97	9.69	-68.00
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C[NH+]1CCCCC1	REAL300012544585	0	49	0.0	-83.54	359.51	9.18	-74.36
CC(CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544586	0	57	0.0	-70.78	431.61	10.32	-60.46
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C[NH+]1CCCCC1	REAL300012544587	0	56	0.0	-77.90	425.68	10.19	-67.71
COC1CN(C(=O)NCC(C)C[NH+]2CCCCC2)C(C)(C(=O)[O-])C1	REAL300012544588	0	55	0.0	-75.71	402.20	8.13	-67.58
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544589	0	58	0.0	-72.09	420.78	8.14	-63.95
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C[NH+]1CCCCC1	REAL300012544590	0	53	0.0	-72.79	382.79	7.75	-65.04
C=C(Cl)CC(NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544591	0	48	0.0	-72.88	381.76	7.67	-65.21
C=C(C)CC(NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544592	0	51	0.0	-73.10	387.18	7.78	-65.32
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C[NH+]1CCCCC1	REAL300012544593	0	52	0.0	-85.89	374.17	9.95	-75.94
CC(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544594	0	57	0.0	-71.49	421.28	9.87	-61.62
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544595	0	48	0.0	-71.40	365.20	8.67	-62.73
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544596	0	48	0.0	-76.66	358.85	8.63	-68.03
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCCCC2)C1	REAL300012544597	0	49	0.0	-76.18	366.31	8.56	-67.62
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544598	0	58	0.0	-72.26	420.58	8.07	-64.19
CC(C)C[C@H](NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544599	0	53	0.0	-73.30	392.16	7.92	-65.38
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C[NH+]1CCCCC1	REAL300012544600	0	55	0.0	-74.71	397.25	6.45	-68.26
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCCC1	REAL300012544601	0	51	0.0	-73.85	388.85	8.69	-65.16
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544602	0	51	0.0	-72.85	385.22	8.19	-64.66
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CC(C)CCCC(NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544604	0	59	0.0	-72.18	434.56	9.45	-62.73
CC(CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544605	0	57	0.0	-71.37	441.67	10.11	-61.26
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CSCC(NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544607	0	48	0.0	-69.68	376.12	7.04	-62.64
COC[C@H](NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544608	0	48	0.0	-73.37	365.31	4.83	-68.54
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544609	0	54	0.0	-72.43	418.29	9.68	-62.75
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CC(CNC(=O)N1CCSCC1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544614	0	49	0.0	-78.67	363.09	9.51	-69.16
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCCC1	REAL300012544615	0	54	0.0	-74.58	397.24	9.45	-65.13
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C[NH+]1CCCCC1	REAL300012544616	0	52	0.0	-83.99	373.47	10.09	-73.90
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CCCN(C(=O)NCC(C)C[NH+]1CCCCC1)C(C)C(=O)[O-]	REAL300012544618	0	53	0.0	-53.17	382.44	10.07	-43.10
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C[NH+]1CCCCC1	REAL300012544619	0	47	0.0	-67.76	365.87	8.91	-58.85
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C[NH+]1CCCCC1	REAL300012544620	0	47	0.0	-67.76	365.87	8.91	-58.85
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C[NH+]1CCCCC1	REAL300012544621	0	60	0.0	-59.30	439.80	6.92	-52.38
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CC(CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])C[NH+]1CCCCC1	REAL300012544623	1	64	0.0	-58.70	459.85	6.56	-52.14
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)C[NH+]1CCCCC1	REAL300012544624	0	55	0.0	-58.39	408.17	11.47	-46.92
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544625	0	58	0.0	-63.58	416.68	11.65	-51.93
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544626	0	56	0.0	-72.21	409.20	9.79	-62.42
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCCC1	REAL300012544627	0	51	0.0	-71.27	389.31	8.74	-62.53
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544628	0	56	0.0	-73.82	429.61	8.61	-65.21
C=CCCC(NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544629	0	51	0.0	-71.89	386.80	7.93	-63.96
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544630	0	50	0.0	-74.65	398.03	6.67	-67.98
CC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544631	0	51	0.0	-67.72	417.08	8.43	-59.29
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CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCCC1	REAL300012544635	0	51	0.0	-72.79	388.98	8.70	-64.09
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544636	0	54	0.0	-74.75	399.22	8.05	-66.70
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)C[NH+]1CCCCC1	REAL300012544637	0	54	0.0	-57.75	387.89	10.00	-47.75
CC[C@H](C)[C@H](NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544638	0	53	0.0	-71.53	383.03	7.54	-63.99
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C[NH+]1CCCCC1	REAL300012544639	0	52	0.0	-77.20	386.93	4.64	-72.56
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C[NH+]1CCCCC1	REAL300012544640	0	60	0.0	-74.27	433.68	7.91	-66.36
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)C[NH+]1CCCCC1	REAL300012544641	0	54	0.0	-76.48	389.60	8.38	-68.10
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COCCC(NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544643	0	51	0.0	-72.55	386.17	5.67	-66.88
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544644	0	57	0.0	-71.24	420.32	11.53	-59.71
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C[NH+]1CCCCC1	REAL300012544645	0	54	0.0	-77.98	390.94	9.04	-68.94
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CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)C[NH+]1CCCCC1	REAL300012544651	0	52	0.0	-64.96	383.47	5.61	-59.35
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CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C[NH+]1CCCCC1	REAL300012544671	0	48	0.0	-74.34	363.16	7.37	-66.97
CO[C@H]1C[C@](NC(=O)NCC(C)C[NH+]2CCCCC2)(C(=O)[O-])C1	REAL300012544672	0	52	0.0	-72.27	386.16	6.18	-66.09
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C[NH+]1CCCCC1	REAL300012544673	0	51	0.0	-72.83	391.60	8.52	-64.31
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CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544675	0	47	0.0	-66.63	368.42	7.32	-59.31
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CC(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544677	0	51	0.0	-74.23	403.63	8.66	-65.57
COCC(NC(=O)NCC(C)C[NH+]1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012544678	0	58	0.0	-73.08	430.46	8.67	-64.41
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CC(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544684	0	57	0.0	-72.29	434.02	10.40	-61.89
CC(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544685	0	57	0.0	-73.58	434.61	10.45	-63.13
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CC(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544687	0	60	0.0	-73.22	433.58	9.88	-63.34
CC(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544688	0	60	0.0	-73.23	433.69	9.90	-63.33
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CC(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544690	0	58	0.0	-77.94	411.88	10.40	-67.54
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CO[C@H](C)[C@H](NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544720	0	51	0.0	-73.74	383.12	5.87	-67.87
CC(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)C[NH+]1CCCCC1	REAL300012544721	0	51	0.0	-79.02	376.46	8.34	-70.68
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C[NH+]1CCCCC1	REAL300012544722	0	54	0.0	-60.70	410.25	11.41	-49.29
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544723	0	54	0.0	-55.30	392.23	9.33	-45.97
CC(CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544724	0	55	0.0	-59.01	416.61	11.12	-47.89
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544725	0	51	0.0	-78.69	374.24	9.63	-69.06
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544726	0	48	0.0	-81.05	363.97	8.68	-72.37
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544727	0	54	0.0	-74.70	417.93	9.74	-64.96
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544728	0	51	0.0	-71.59	402.63	8.65	-62.94
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544729	0	51	0.0	-71.77	381.27	9.17	-62.60
CC(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C[NH+]1CCCCC1	REAL300012544730	0	55	0.0	-76.89	416.72	9.38	-67.51
CC(CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544731	0	59	0.0	-76.96	441.19	10.68	-66.28
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544732	0	51	0.0	-71.59	402.63	8.65	-62.94
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544733	0	55	0.0	-80.45	390.97	9.66	-70.79
COCCCC(NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544734	0	54	0.0	-72.32	408.50	6.43	-65.89
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCCCC1	REAL300012544735	0	53	0.0	-70.05	385.21	9.51	-60.54
CCOCC(NC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300012544736	0	51	0.0	-74.80	387.04	5.82	-68.98
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544737	0	56	0.0	-72.17	403.97	9.04	-63.13
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C[NH+]1CCCCC1	REAL300012544738	0	55	0.0	-74.40	404.20	7.15	-67.25
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C[NH+]1CCCCC1	REAL300012544739	0	55	0.0	-74.53	407.72	9.88	-64.65
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544740	0	52	0.0	-79.91	375.20	8.05	-71.86
CC(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544741	0	54	0.0	-67.85	394.87	9.47	-58.38
CC(CNC(=O)NC(CCC#N)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544742	0	48	0.0	-74.25	374.18	7.09	-67.16
CC(CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C[NH+]1CCCCC1	REAL300012544743	0	65	0.0	-76.85	446.08	10.75	-66.10
CC(CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544744	0	57	0.0	-76.18	441.42	9.92	-66.26
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C[NH+]1CCCCC1	REAL300012544745	0	51	0.0	-61.51	391.92	9.55	-51.96
CC(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C[NH+]1CCCCC1	REAL300012544746	0	62	0.0	-80.03	425.32	10.09	-69.94
CC(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C[NH+]1CCCCC1	REAL300012544747	0	53	0.0	-73.64	423.62	8.36	-65.28
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCCCC2)C1	REAL300012544748	0	55	0.0	-79.16	407.45	8.48	-70.68
CC(C)CCOCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012545035	0	59	0.0	-62.05	442.08	6.32	-55.73
CCCCOCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012545252	0	56	0.0	-62.04	424.51	5.80	-56.24
CC1=CC2=NC(CNC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])=CN2C=C1	REAL300012545735	0	56	0.0	-67.34	439.59	8.57	-58.77
CCC(C)(C)OCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012545991	0	59	0.0	-62.16	432.63	6.03	-56.13
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546105	0	60	0.0	-68.87	447.15	10.65	-58.22
C=CCOCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546106	0	59	0.0	-68.51	453.78	9.90	-58.61
C=CC(C)C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546107	0	58	0.0	-64.48	431.96	11.03	-53.45
CC1CC[NH+](C(CNC(=O)N2CCC(C)CC2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546108	0	61	0.0	-73.25	432.66	12.53	-60.72
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546109	0	57	0.0	-50.85	426.34	12.67	-38.18
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C1CCC1	REAL300012546110	0	61	0.0	-51.16	438.28	13.07	-38.09
CCCN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(CC)C(=O)[O-]	REAL300012546111	0	63	0.0	-66.41	454.15	14.31	-52.10
CC(C)C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546112	0	57	0.0	-63.60	418.61	10.52	-53.08
CC1CC[NH+](C(CNC(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546113	0	58	0.0	-77.37	417.45	13.45	-63.92
CC1CC[NH+](C(CNC(=O)N2CCSCC2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546114	0	56	0.0	-71.92	418.67	12.32	-59.60
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C2=CC=CC=C2)CC1	REAL300012546115	0	61	0.0	-72.37	436.57	12.43	-59.94
CC1CC[NH+](C(CNC(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546116	0	55	0.0	-74.06	405.92	12.02	-62.04
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C2)CC1	REAL300012546117	0	58	0.0	-71.76	422.06	11.32	-60.44
CC1CC[NH+](C(CNC(=O)NCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546118	0	48	0.0	-56.08	364.54	8.26	-47.82
CC1CC[NH+](C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300012546119	0	58	0.0	-67.76	443.71	12.26	-55.50
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300012546120	0	58	0.0	-67.64	443.29	12.19	-55.45
CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546121	0	54	0.0	-66.93	406.33	10.12	-56.81
CC(C)C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546122	0	57	0.0	-63.60	418.61	10.52	-53.08
CC1CC[NH+](C(CNC(=O)N(C)CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546123	0	51	0.0	-63.86	383.03	10.93	-52.93
CC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546124	0	51	0.0	-57.35	385.33	9.09	-48.26
CCC(C)C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546125	0	60	0.0	-63.60	440.27	11.34	-52.26
CC1CC[NH+](C(CNC(=O)N(C)CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546126	0	51	0.0	-63.86	383.03	10.93	-52.93
CC1CC[NH+](C(CNC(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546127	0	58	0.0	-77.37	417.45	13.45	-63.92
CCCC(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546128	0	60	0.0	-67.19	432.79	11.24	-55.95
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546129	0	57	0.0	-64.19	415.29	12.16	-52.03
CC1CC[NH+](C(CNC(=O)N(CC(=O)[O-])C2CC2)C2=CC=CC=C2)CC1	REAL300012546130	0	55	0.0	-50.77	410.29	11.59	-39.18
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546131	0	55	0.0	-50.58	417.65	12.47	-38.11
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546132	0	60	0.0	-50.36	440.76	12.97	-37.39
CC1CC[NH+](C(CNC(=O)NC(C)(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546133	0	54	0.0	-55.20	397.91	9.49	-45.71
CC1CC[NH+](C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC=CC=C2)CC1	REAL300012546134	0	58	0.0	-69.09	421.17	11.31	-57.78
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C2=CC=CC=C2)CC1	REAL300012546135	0	61	0.0	-72.37	436.57	12.43	-59.94
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546136	0	57	0.0	-64.19	415.29	12.16	-52.03
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546137	0	57	0.0	-50.85	426.34	12.67	-38.18
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546138	0	54	0.0	-63.98	404.84	11.91	-52.07
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546139	0	60	0.0	-69.14	439.21	10.25	-58.89
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C2)CC1	REAL300012546140	0	58	0.0	-71.76	422.06	11.32	-60.44
CCC(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546141	0	57	0.0	-66.97	411.30	10.49	-56.48
C[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546142	0	51	0.0	-56.13	385.54	9.20	-46.93
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546143	0	54	0.0	-63.98	404.84	11.91	-52.07
C[C@@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546144	0	51	0.0	-60.12	387.18	8.20	-51.92
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300012546145	0	52	0.0	-70.71	390.59	10.29	-60.42
CC1CC[NH+](C(CNC(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546146	0	56	0.0	-73.56	408.74	10.74	-62.82
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2CC2)C2=CC=CC=C2)CC1	REAL300012546147	0	55	0.0	-68.15	411.77	10.66	-57.49
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546148	0	58	0.0	-51.10	436.22	11.09	-40.01
CC1CC[NH+](C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546149	0	55	0.0	-74.66	407.08	11.78	-62.88
CC1CC[NH+](C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546150	0	58	0.0	-71.11	419.33	12.26	-58.85
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546151	0	54	0.0	-62.88	399.72	10.31	-52.57
CC1CC[NH+](C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546152	0	55	0.0	-70.56	407.52	11.17	-59.39
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCC2)C2=CC=CC=C2)CC1	REAL300012546153	0	55	0.0	-72.05	409.93	9.95	-62.10
C=CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546154	0	55	0.0	-66.13	419.64	10.57	-55.56
CC1CC[NH+](C(CNC(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546155	0	58	0.0	-70.31	423.37	12.65	-57.66
CC1CC[NH+](C(CNC(=O)N2CCCCCC2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546156	0	61	0.0	-73.30	431.83	12.75	-60.55
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2CC2)C2=CC=CC=C2)CC1	REAL300012546157	0	55	0.0	-68.15	411.77	10.66	-57.49
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546158	0	54	0.0	-63.95	397.01	11.16	-52.79
CCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546159	0	60	0.0	-67.01	449.33	11.67	-55.34
CC1CC[NH+](C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546160	0	58	0.0	-70.29	423.12	12.59	-57.70
CC1CC[NH+](C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C2=CC=CC=C2)CC1	REAL300012546161	0	61	0.0	-50.23	441.17	13.48	-36.75
COCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546162	0	55	0.0	-68.11	418.53	8.34	-59.77
CCCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546163	0	63	0.0	-67.00	470.83	12.45	-54.55
CC1CC[NH+](C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C2=CC=CC=C2)CC1	REAL300012546164	0	61	0.0	-70.23	432.52	13.01	-57.22
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C1CC1	REAL300012546165	0	58	0.0	-56.91	425.43	11.67	-45.24
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C1CC1	REAL300012546166	0	61	0.0	-58.21	446.01	12.74	-45.47
COCC(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546167	0	58	0.0	-71.65	429.54	9.77	-61.88
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546168	0	61	0.0	-66.01	448.55	11.55	-54.46
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546169	0	60	0.0	-50.36	440.76	12.97	-37.39
CC1CC[NH+](C(CNC(=O)N(CC(=O)[O-])C2CC2)C2=CC=CC=C2)CC1	REAL300012546170	0	55	0.0	-50.77	410.29	11.59	-39.18
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCOC2)C2=CC=CC=C2)CC1	REAL300012546171	0	56	0.0	-64.19	413.19	8.70	-55.49
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCOCC2)C2=CC=CC=C2)CC1	REAL300012546172	0	59	0.0	-67.67	427.22	9.80	-57.87
C=CCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546173	0	58	0.0	-66.52	440.64	11.45	-55.07
CC1CC[NH+](C(CNC(=O)NC(CF)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546174	0	51	0.0	-54.58	388.95	9.10	-45.48
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546175	0	54	0.0	-63.95	397.01	11.16	-52.79
CCC(CC)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546176	0	60	0.0	-64.69	427.68	11.37	-53.32
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546177	0	60	0.0	-49.94	436.97	13.51	-36.43
CCC(COC)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546178	0	61	0.0	-73.46	446.22	10.66	-62.80
CC1CC[NH+](C(CNC(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546179	0	58	0.0	-68.89	440.30	10.82	-58.07
COCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546180	0	58	0.0	-68.26	440.83	9.18	-59.08
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546181	0	63	0.0	-65.65	455.20	13.43	-52.22
CC1CC[NH+](C(CNC(=O)NC(CC(F)F)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546182	0	54	0.0	-61.69	416.95	10.64	-51.05
CCCN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012546183	0	60	0.0	-34.91	434.08	12.62	-22.29
CC1CC[NH+](C(CNC(=O)NC(CCF)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546184	0	54	0.0	-66.60	412.92	10.26	-56.34
CC1CC[NH+](C(CNC(=O)NC(C)(CCF)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546185	0	57	0.0	-64.46	417.89	10.62	-53.84
CC1CC[NH+](C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546186	0	55	0.0	-64.63	420.85	10.98	-53.65
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546187	0	54	0.0	-60.90	397.47	11.19	-49.71
CC1CC[NH+](C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C2=CC=CC=C2)CC1	REAL300012546188	0	56	0.0	-79.51	414.75	12.65	-66.86
CC1CC[NH+](C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=CC=CC=C2)CC1	REAL300012546189	0	60	0.0	-65.72	438.33	11.29	-54.43
C=C(Cl)CC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546190	0	55	0.0	-68.30	435.60	11.17	-57.13
C=C(C)CC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546191	0	58	0.0	-67.14	440.18	11.31	-55.83
CC1CC[NH+](C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C2=CC=CC=C2)CC1	REAL300012546192	0	59	0.0	-81.95	427.92	13.45	-68.50
CC1CC[NH+](C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546193	0	55	0.0	-64.53	420.87	11.02	-53.51
CC1CC[NH+](C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546194	0	55	0.0	-72.50	411.53	12.08	-60.42
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCC(C)CC2)C1	REAL300012546195	0	56	0.0	-74.35	420.48	12.13	-62.22
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546196	0	60	0.0	-68.87	447.15	10.65	-58.22
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300012546197	0	58	0.0	-67.64	443.29	12.19	-55.45
CC1CC[NH+](C(CNC(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546198	0	58	0.0	-68.89	440.30	10.82	-58.07
CSCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546199	0	55	0.0	-63.26	429.95	10.55	-52.71
COC[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546200	0	55	0.0	-70.52	420.55	7.50	-63.02
CC[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546201	0	54	0.0	-69.12	408.70	9.25	-59.87
CCC(C)CC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546202	0	63	0.0	-67.52	463.26	12.08	-55.44
C=CCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546203	0	61	0.0	-66.32	462.14	12.24	-54.08
CC1CC[NH+](C(CNC(=O)N2CCSCC2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546204	0	56	0.0	-71.92	418.67	12.32	-59.60
CC1CC[NH+](C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546205	0	55	0.0	-74.66	407.08	11.78	-62.88
CCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546206	0	57	0.0	-66.99	427.83	10.89	-56.10
CC(C)[C@@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546207	0	57	0.0	-68.37	424.57	10.76	-57.61
CC1CC[NH+](C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546208	0	59	0.0	-77.40	429.05	12.73	-64.67
CCN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(C)(C)C(=O)[O-]	REAL300012546209	0	60	0.0	-67.28	431.81	12.94	-54.34
CCCN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012546210	0	60	0.0	-34.91	434.08	12.62	-22.29
CC1CC[NH+](C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546211	0	57	0.0	-67.46	412.11	12.01	-55.45
CC1CC[NH+](C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546212	0	55	0.0	-70.56	407.52	11.17	-59.39
CC1CC[NH+](C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546213	0	56	0.0	-76.85	420.52	7.32	-69.53
CCC[C@@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546214	0	57	0.0	-67.41	428.79	11.01	-56.40
CC1CC[NH+](C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300012546215	0	58	0.0	-67.76	443.71	12.26	-55.50
C=CCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546216	0	58	0.0	-66.52	440.64	11.45	-55.07
CC1CC[NH+](C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546217	0	58	0.0	-74.47	423.37	12.65	-61.82
CC(C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546218	0	57	0.0	-63.16	418.66	10.50	-52.66
CC1CC[NH+](C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300012546219	0	58	0.0	-65.60	443.67	12.25	-53.35
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546220	0	54	0.0	-60.90	397.47	11.19	-49.71
CCC[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546221	0	57	0.0	-69.08	430.20	10.02	-59.06
CCN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012546222	0	57	0.0	-65.52	418.18	12.68	-52.84
CC1CC[NH+](C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C2=CC=CC=C2)CC1	REAL300012546223	0	61	0.0	-50.23	441.17	13.48	-36.75
CC(CN(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546224	0	57	0.0	-70.18	417.27	11.57	-58.61
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546225	0	60	0.0	-69.14	439.21	10.25	-58.89
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546226	0	57	0.0	-66.61	419.08	11.39	-55.22
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C2=CC=CC=C2)CC1	REAL300012546227	0	59	0.0	-76.65	440.36	7.14	-69.51
CC1CCC(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012546228	0	61	0.0	-68.45	444.76	11.00	-57.45
COCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546229	0	58	0.0	-68.26	440.83	9.18	-59.08
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=CC=CC=C2)CC1	REAL300012546230	0	61	0.0	-72.74	446.01	11.66	-61.08
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C2=CC=CC=C2)CC1	REAL300012546231	0	58	0.0	-67.14	430.16	10.60	-56.54
CC1CC[NH+](C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546232	0	56	0.0	-75.17	417.77	7.62	-67.55
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2CCOC2)C2=CC=CC=C2)CC1	REAL300012546233	0	59	0.0	-67.60	443.23	8.37	-59.23
CC1CC[NH+](C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546234	0	59	0.0	-75.81	428.20	13.19	-62.62
CC1CC[NH+](C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C2=CC=CC=C2)CC1	REAL300012546235	0	57	0.0	-72.93	421.75	9.99	-62.94
CC1CC[NH+](C(CNC(=O)N2CC(C)CCC2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546236	0	61	0.0	-76.41	437.40	13.93	-62.48
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2CCC2)C2=CC=CC=C2)CC1	REAL300012546237	0	58	0.0	-66.71	428.83	10.14	-56.57
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2CCC2)C2=CC=CC=C2)CC1	REAL300012546238	0	58	0.0	-66.71	428.83	10.14	-56.57
CC1CCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCC(C)CC2)C1C(=O)[O-]	REAL300012546239	0	58	0.0	-75.19	421.99	12.27	-62.92
C=CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546240	0	55	0.0	-66.13	419.64	10.57	-55.56
CC1CC[NH+](C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546241	0	59	0.0	-45.84	428.62	13.14	-32.70
COC1CC(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012546242	0	59	0.0	-71.76	443.29	8.94	-62.82
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C2=CC=CC=C2)CC1	REAL300012546243	0	55	0.0	-68.38	415.83	10.82	-57.56
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012546244	0	59	0.0	-69.08	441.79	9.23	-59.85
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546245	0	61	0.0	-75.32	437.34	12.95	-62.37
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])COC2)C2=CC=CC=C2)CC1	REAL300012546246	0	53	0.0	-66.08	399.01	7.95	-58.13
CC(C)C(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546247	0	60	0.0	-64.20	426.22	11.09	-53.11
CC1CC[NH+](C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546248	0	56	0.0	-74.59	414.87	12.32	-62.27
CC1CC[NH+](C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546249	0	59	0.0	-73.22	430.91	11.72	-61.50
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546250	0	60	0.0	-66.56	432.66	13.57	-52.99
CC1CC[NH+](C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546251	0	55	0.0	-72.50	411.53	12.08	-60.42
CC1CC[NH+](C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546252	0	57	0.0	-45.24	421.11	12.81	-32.43
CC1CC[NH+](C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546253	0	61	0.0	-76.26	442.43	12.74	-63.52
CC(C)CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546254	0	63	0.0	-67.22	466.89	12.18	-55.04
CC1CC[NH+](C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546255	0	62	0.0	-47.13	454.43	12.69	-34.44
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C2=CC=CC=C2)CC1	REAL300012546256	0	62	0.0	-67.67	446.76	11.84	-55.83
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C2=CC=CC=C2)CC1	REAL300012546257	0	59	0.0	-73.29	431.19	11.20	-62.09
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C2=CC=CC=C2)CC1	REAL300012546258	0	62	0.0	-67.68	450.03	12.42	-55.26
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2CCCC2)C2=CC=CC=C2)CC1	REAL300012546259	0	61	0.0	-64.33	443.32	11.70	-52.63
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546260	0	58	0.0	-64.25	437.06	9.43	-54.82
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546261	0	58	0.0	-73.33	431.81	11.00	-62.33
CC1CC[NH+](C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546262	0	61	0.0	-45.70	445.64	12.90	-32.80
CC1CC[NH+](C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546263	0	55	0.0	-78.18	419.11	11.31	-66.87
CC1CC[NH+](C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546264	0	62	0.0	-75.69	439.23	12.15	-63.54
COCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546265	0	61	0.0	-65.84	461.50	9.97	-55.87
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546266	0	60	0.0	-65.05	438.79	13.02	-52.03
CCOCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012546267	0	58	0.0	-68.96	440.87	9.32	-59.64
CC1CC[NH+](C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546268	0	63	0.0	-64.99	457.50	12.52	-52.47
CC1CC[NH+](C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546269	0	59	0.0	-73.29	430.29	10.76	-62.53
CC1CC[NH+](C(CNC(=O)NC(CCC#N)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012546270	0	55	0.0	-70.10	427.18	10.62	-59.48
CC1CC[NH+](C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C2=CC=CC=C2)CC1	REAL300012546271	0	58	0.0	-53.91	441.67	11.95	-41.96
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012546272	0	54	0.0	-62.88	399.72	10.31	-52.57
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC(O)=C2)CC1	REAL300012546381	0	51	0.0	-66.07	402.21	4.57	-61.50
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012546762	0	42	0.0	-72.63	346.19	6.62	-66.01
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012546762	1	42	0.0	-70.25	346.82	6.58	-63.67
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012546763	0	42	0.0	-72.37	356.08	7.06	-65.31
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012546763	1	42	0.0	-69.66	356.47	7.10	-62.56
CC1=CC(C(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])=CC=C1F	REAL300012546764	0	45	0.0	-73.36	360.86	7.16	-66.20
CC1=CC(C(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])=CC=C1F	REAL300012546764	1	45	0.0	-70.17	360.60	7.23	-62.94
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012546765	0	47	0.0	-73.33	369.80	6.38	-66.95
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012546765	1	47	0.0	-76.61	370.04	6.30	-70.31
CC1=CC(C)=CC(C(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300012546766	0	48	0.0	-76.93	376.32	7.82	-69.11
CC1=CC(C)=CC(C(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300012546766	1	48	0.0	-76.95	376.72	7.85	-69.10
CC1=CC=C(C(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1C	REAL300012546767	0	48	0.0	-76.99	372.98	7.78	-69.21
CC1=CC=C(C(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])C=C1C	REAL300012546767	1	48	0.0	-74.63	372.52	7.66	-66.97
COC1=CC=C(C(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])C=C1Cl	REAL300012546768	0	46	0.0	-73.04	379.40	6.38	-66.66
COC1=CC=C(C(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1Cl	REAL300012546768	1	46	0.0	-76.07	379.62	6.31	-69.76
CC1=CC=CC(C(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])=C1C	REAL300012546769	0	48	0.0	-77.10	366.05	7.55	-69.55
CC1=CC=CC(C(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])=C1C	REAL300012546769	1	48	0.0	-79.13	368.95	7.49	-71.64
COC1=CC=C(C(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])C=C1F	REAL300012546770	0	46	0.0	-73.89	369.59	5.90	-67.99
COC1=CC=C(C(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1F	REAL300012546770	1	46	0.0	-76.54	369.21	5.86	-70.68
C[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012546771	0	48	0.0	-59.04	393.63	10.21	-48.83
C[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012546771	1	48	0.0	-54.88	393.61	10.21	-44.67
C[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300012546772	0	45	0.0	-60.07	376.18	9.83	-50.24
C[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300012546772	1	45	0.0	-58.14	370.11	9.53	-48.61
CCCN(C(=O)NC1CCC[N@H+](C)C1)C(COC)C(=O)[O-]	REAL300012546773	0	48	0.0	-73.23	360.17	7.83	-65.40
CCCN(C(=O)NC1CCC[N@@H+](C)C1)C(COC)C(=O)[O-]	REAL300012546773	1	48	0.0	-71.34	355.89	6.62	-64.72
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012546774	0	42	0.0	-70.27	350.88	6.98	-63.29
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012546774	1	42	0.0	-72.99	350.86	6.97	-66.02
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012546775	0	45	0.0	-77.29	356.33	7.40	-69.89
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012546775	1	45	0.0	-77.18	356.37	7.40	-69.78
C[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012546776	0	45	0.0	-55.72	348.75	8.92	-46.80
C[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012546776	1	45	0.0	-61.53	354.83	9.20	-52.33
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012546777	0	45	0.0	-77.29	356.33	7.40	-69.89
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012546777	1	45	0.0	-77.18	356.37	7.40	-69.78
C[N@@H+]1CCCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012546778	0	46	0.0	-88.10	341.78	10.06	-78.04
C[N@H+]1CCCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012546778	1	46	0.0	-83.35	345.90	9.49	-73.86
C[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012546779	0	45	0.0	-59.17	371.62	9.73	-49.44
C[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012546779	1	45	0.0	-55.12	371.61	9.72	-45.40
C[N@@H+]1CCCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012546780	0	49	0.0	-77.83	385.43	7.47	-70.36
C[N@H+]1CCCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012546780	1	49	0.0	-77.95	380.60	8.03	-69.92
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NC2CCC[N@H+](C)C2)=C1	REAL300012546781	0	53	0.0	-60.45	407.83	7.52	-52.93
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NC2CCC[N@@H+](C)C2)=C1	REAL300012546781	1	53	0.0	-59.92	413.83	7.82	-52.10
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300012546782	0	42	0.0	-70.13	355.44	7.08	-63.05
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300012546782	1	42	0.0	-72.84	355.43	7.07	-65.77
C[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012546783	0	45	0.0	-59.34	361.30	9.28	-50.06
C[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012546783	1	45	0.0	-55.34	361.29	9.27	-46.07
C[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012546784	0	46	0.0	-80.30	349.42	8.29	-72.01
C[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012546784	1	46	0.0	-79.07	353.45	7.76	-71.31
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012546785	0	42	0.0	-76.06	344.16	6.63	-69.43
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012546785	1	42	0.0	-73.26	344.69	6.66	-66.60
C[N@@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012546786	0	45	0.0	-73.67	341.93	7.24	-66.43
C[N@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012546786	1	45	0.0	-77.06	341.92	7.23	-69.83
CCCCCCC(C)(NC(=O)NC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012546787	0	53	0.0	-71.83	388.10	7.84	-63.99
CCCCCCC(C)(NC(=O)NC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012546787	1	53	0.0	-71.74	388.09	7.85	-63.89
CN(C(=O)NC1CCC[N@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012546788	0	48	0.0	-75.60	366.95	9.46	-66.14
CN(C(=O)NC1CCC[N@@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012546788	1	48	0.0	-75.59	366.89	9.53	-66.06
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012546789	0	42	0.0	-70.27	350.88	6.98	-63.29
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012546789	1	42	0.0	-72.99	350.86	6.97	-66.02
C[N@@H+]1CCCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012546790	0	48	0.0	-57.47	372.07	9.77	-47.70
C[N@H+]1CCCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012546790	1	48	0.0	-62.77	377.29	9.98	-52.79
CN(C(=O)NC1CCC[N@H+](C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012546791	0	45	0.0	-78.02	344.53	8.01	-70.01
CN(C(=O)NC1CCC[N@@H+](C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012546791	1	45	0.0	-80.27	342.70	8.42	-71.85
C[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012546792	0	46	0.0	-77.06	348.66	7.54	-69.52
C[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012546792	1	46	0.0	-76.89	348.71	7.51	-69.38
C[N@@H+]1CCCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012546793	0	49	0.0	-80.16	390.04	7.41	-72.75
C[N@H+]1CCCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012546793	1	49	0.0	-83.94	390.28	7.33	-76.61
C[N@@H+]1CCCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012546794	0	48	0.0	-57.47	372.07	9.77	-47.70
C[N@H+]1CCCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012546794	1	48	0.0	-62.77	377.29	9.98	-52.79
CCC1CCC(NC(=O)NC2CCC[N@H+](C)C2)(C(=O)[O-])CC1	REAL300012546795	0	51	0.0	-75.02	360.20	7.11	-67.91
CCC1CCC(NC(=O)NC2CCC[N@@H+](C)C2)(C(=O)[O-])CC1	REAL300012546795	1	51	0.0	-76.05	356.16	7.66	-68.39
C[N@@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300012546796	0	45	0.0	-67.64	373.83	8.22	-59.42
C[N@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300012546796	1	45	0.0	-71.12	373.83	8.21	-62.91
CC(C1=CC=CC(Br)=C1)N(CC(=O)[O-])C(=O)NC1CCC[N@H+](C)C1	REAL300012546797	0	48	0.0	-53.66	384.14	10.92	-42.74
CC(C1=CC=CC(Br)=C1)N(CC(=O)[O-])C(=O)NC1CCC[N@@H+](C)C1	REAL300012546797	1	48	0.0	-62.23	388.02	10.67	-51.56
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012546798	0	42	0.0	-78.30	346.09	6.88	-71.42
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012546798	1	42	0.0	-74.76	344.86	6.92	-67.84
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012546799	0	42	0.0	-81.67	338.29	6.61	-75.06
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012546799	1	42	0.0	-81.82	338.57	6.54	-75.28
C[N@@H+]1CCCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012546800	0	46	0.0	-60.89	345.44	9.30	-51.59
C[N@H+]1CCCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012546800	1	46	0.0	-60.27	349.10	8.88	-51.39
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012546801	0	45	0.0	-77.15	371.49	7.74	-69.41
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012546801	1	45	0.0	-80.01	371.25	7.80	-72.21
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012546802	0	51	0.0	-80.53	399.98	9.39	-71.14
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012546802	1	51	0.0	-77.30	399.97	9.38	-67.92
C[N@@H+]1CCCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012546803	0	51	0.0	-72.85	378.33	7.60	-65.25
C[N@H+]1CCCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012546803	1	51	0.0	-76.41	378.33	7.58	-68.83
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CCC[N@H+](C)C1	REAL300012546804	0	48	0.0	-55.17	366.86	9.79	-45.38
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CCC[N@@H+](C)C1	REAL300012546804	1	48	0.0	-60.47	362.52	9.29	-51.18
CC1=CC=C(C(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300012546805	0	45	0.0	-76.08	354.90	7.17	-68.91
CC1=CC=C(C(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300012546805	1	45	0.0	-76.52	355.54	7.12	-69.40
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012546806	0	48	0.0	-75.22	380.09	8.74	-66.48
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012546806	1	48	0.0	-77.95	375.44	9.28	-68.67
C[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012546807	0	43	0.0	-76.79	321.07	6.80	-69.99
C[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012546807	1	43	0.0	-75.34	325.16	6.25	-69.09
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CCC[N@H+](C)C1	REAL300012546808	0	51	0.0	-50.35	378.41	10.76	-39.59
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CCC[N@@H+](C)C1	REAL300012546808	1	51	0.0	-53.26	376.74	9.74	-43.52
C[N@@H+]1CCCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012546809	0	41	0.0	-57.08	335.52	7.34	-49.74
C[N@H+]1CCCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012546809	1	41	0.0	-61.96	335.52	7.33	-54.63
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300012546810	0	45	0.0	-69.81	389.80	8.43	-61.38
C[N@H+]1CCCC(NC(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300012546810	1	45	0.0	-72.71	389.86	8.41	-64.30
CN(C(=O)NC1CCC[N@H+](C)C1)C(COC1CCC1)C(=O)[O-]	REAL300012546811	0	49	0.0	-73.18	367.58	7.21	-65.97
CN(C(=O)NC1CCC[N@@H+](C)C1)C(COC1CCC1)C(=O)[O-]	REAL300012546811	1	49	0.0	-73.06	364.06	7.73	-65.33
C[N@@H+]1CCCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012546812	0	49	0.0	-82.31	373.46	10.37	-71.94
C[N@H+]1CCCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012546812	1	49	0.0	-80.35	373.31	10.39	-69.96
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCC[N@H+](C)C1	REAL300012546813	0	48	0.0	-54.25	366.45	10.07	-44.18
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCC[N@@H+](C)C1	REAL300012546813	1	48	0.0	-49.33	366.33	10.13	-39.20
COC1=CC=C(C(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300012546814	0	46	0.0	-75.93	363.39	5.83	-70.10
COC1=CC=C(C(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300012546814	1	46	0.0	-76.23	363.61	5.74	-70.49
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CCC[N@H+](C)C1	REAL300012546815	0	48	0.0	-72.95	360.72	6.58	-66.37
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CCC[N@@H+](C)C1	REAL300012546815	1	48	0.0	-70.72	360.72	6.59	-64.13
C[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012546816	0	45	0.0	-82.23	339.99	3.12	-79.11
C[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012546816	1	45	0.0	-76.67	343.96	2.58	-74.09
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCC[N@H+](C)C1	REAL300012546817	0	48	0.0	-50.06	365.92	10.13	-39.93
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCC[N@@H+](C)C1	REAL300012546817	1	48	0.0	-75.36	364.57	10.11	-65.25
CCC(NC(=O)NC1CCC[N@H+](C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012546818	0	48	0.0	-74.59	375.68	8.64	-65.95
CCC(NC(=O)NC1CCC[N@@H+](C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012546818	1	48	0.0	-74.61	375.53	8.62	-65.99
CCC(NC(=O)NC1CCC[N@H+](C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012546819	0	48	0.0	-74.21	358.82	8.09	-66.12
CCC(NC(=O)NC1CCC[N@@H+](C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012546819	1	48	0.0	-77.81	358.81	8.10	-69.71
COC1CCCC(C(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])C1	REAL300012546820	0	52	0.0	-81.59	384.14	5.58	-76.01
COC1CCCC(C(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])C1	REAL300012546820	1	52	0.0	-75.19	387.00	5.99	-69.20
COC1(CC(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])CCC1	REAL300012546821	0	49	0.0	-70.09	364.75	5.85	-64.24
COC1(CC(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])CCC1	REAL300012546821	1	49	0.0	-74.63	365.48	5.77	-68.86
COC1=CC=CC(C(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300012546822	0	46	0.0	-78.48	363.37	5.82	-72.66
COC1=CC=CC(C(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300012546822	1	46	0.0	-76.16	363.64	5.75	-70.41
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300012546823	0	42	0.0	-77.33	349.23	6.94	-70.39
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300012546823	1	42	0.0	-73.95	348.21	6.98	-66.97
C[N@@H+]1CCCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012546824	0	43	0.0	-57.69	327.07	7.44	-50.25
C[N@H+]1CCCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012546824	1	43	0.0	-64.26	331.57	7.07	-57.19
COC1=CC=CC([C@H](NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300012546825	0	46	0.0	-79.56	359.57	6.27	-73.29
COC1=CC=CC([C@H](NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300012546825	1	46	0.0	-77.14	358.96	6.32	-70.82
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CCC[N@H+](C)C2)C1	REAL300012546826	0	48	0.0	-80.90	362.22	7.95	-72.95
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CCC[N@@H+](C)C2)C1	REAL300012546826	1	48	0.0	-84.66	358.29	8.48	-76.18
COC1=CC=CC(CC(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300012546827	0	49	0.0	-80.53	385.89	6.69	-73.84
COC1=CC=CC(CC(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300012546827	1	49	0.0	-76.71	385.65	6.76	-69.95
C[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012546828	0	51	0.0	-82.32	351.36	8.01	-74.31
C[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012546828	1	51	0.0	-82.35	351.34	8.00	-74.35
C[N@@H+]1CCCC(NC(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])C1	REAL300012546829	0	42	0.0	-73.36	360.97	7.22	-66.14
C[N@H+]1CCCC(NC(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])C1	REAL300012546829	1	42	0.0	-70.64	361.25	7.14	-63.50
C[N@@H+]1CCCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012546830	0	48	0.0	-70.73	376.20	8.11	-62.62
C[N@H+]1CCCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012546830	1	48	0.0	-70.66	376.27	8.10	-62.56
C[N@@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012546831	0	47	0.0	-77.39	370.14	7.91	-69.48
C[N@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012546831	1	47	0.0	-68.77	370.13	7.90	-60.87
C[N@@H+]1CCCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012546832	0	49	0.0	-71.65	369.12	5.28	-66.37
C[N@H+]1CCCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012546832	1	49	0.0	-71.72	365.12	5.89	-65.83
CN(C(=O)NC1CCC[N@H+](C)C1)C(C(=O)[O-])C1=CC=C(Br)S1	REAL300012546833	0	42	0.0	-66.98	354.58	7.92	-59.06
CN(C(=O)NC1CCC[N@@H+](C)C1)C(C(=O)[O-])C1=CC=C(Br)S1	REAL300012546833	1	42	0.0	-66.96	355.12	8.04	-58.92
C[N@@H+]1CCCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012546834	0	48	0.0	-71.30	365.88	7.66	-63.64
C[N@H+]1CCCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012546834	1	48	0.0	-71.33	365.94	7.65	-63.68
C[N@@H+]1CCCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012546835	0	49	0.0	-77.39	369.40	5.20	-72.19
C[N@H+]1CCCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012546835	1	49	0.0	-73.66	369.42	5.19	-68.47
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300012546836	0	45	0.0	-72.39	372.63	7.53	-64.86
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300012546836	1	45	0.0	-75.38	372.86	7.45	-67.93
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])C1	REAL300012546837	0	49	0.0	-70.04	402.14	7.26	-62.78
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])C1	REAL300012546837	1	49	0.0	-72.52	402.31	7.18	-65.34
C[N@@H+]1CCCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012546838	0	41	0.0	-73.10	343.13	4.54	-68.56
C[N@H+]1CCCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012546838	1	41	0.0	-75.75	342.88	4.59	-71.16
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012546839	0	48	0.0	-72.19	386.26	7.81	-64.38
C[N@H+]1CCCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012546839	1	48	0.0	-75.81	384.99	7.87	-67.94
C[N@@H+]1CCCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012546840	0	45	0.0	-72.13	362.80	7.48	-64.65
C[N@H+]1CCCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012546840	1	45	0.0	-74.07	358.53	8.07	-66.00
C[N@@H+]1CCCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012546841	0	45	0.0	-74.35	361.90	7.49	-66.86
C[N@H+]1CCCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012546841	1	45	0.0	-76.24	358.71	7.99	-68.25
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012546842	0	48	0.0	-76.78	373.91	8.64	-68.14
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012546842	1	48	0.0	-76.72	373.94	8.64	-68.08
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C1	REAL300012546843	0	46	0.0	-79.33	376.62	6.39	-72.94
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C1	REAL300012546843	1	46	0.0	-79.18	377.68	6.43	-72.75
C[N@@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012546844	0	45	0.0	-73.67	341.93	7.24	-66.43
C[N@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012546844	1	45	0.0	-77.06	341.92	7.23	-69.83
C[N@@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300012546845	0	45	0.0	-73.06	363.22	7.87	-65.19
C[N@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300012546845	1	45	0.0	-69.95	363.21	7.86	-62.09
C[N@@H+]1CCCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012546846	0	51	0.0	-58.33	384.23	4.69	-53.64
C[N@H+]1CCCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012546846	1	51	0.0	-57.56	379.01	4.46	-53.10
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC[N@H+](C)C2)CC1	REAL300012546847	1	55	0.0	-57.32	404.21	4.33	-52.99
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC[N@@H+](C)C2)CC1	REAL300012546847	1	55	0.0	-62.30	409.44	4.56	-57.74
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CCC[N@@H+](C)C1	REAL300012546848	0	46	0.0	-55.04	350.93	9.18	-45.86
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CCC[N@H+](C)C1	REAL300012546848	1	46	0.0	-57.25	350.00	9.40	-47.85
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CCC[N@H+](C)C2)[C@H]1C(=O)[O-]	REAL300012546849	0	49	0.0	-63.19	356.65	9.96	-53.23
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CCC[N@@H+](C)C2)[C@H]1C(=O)[O-]	REAL300012546849	1	49	0.0	-58.63	356.98	9.94	-48.69
C[N@@H+]1CCCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012546850	0	47	0.0	-74.38	349.74	8.08	-66.30
C[N@H+]1CCCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012546850	1	47	0.0	-70.76	353.64	7.60	-63.16
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012546851	0	45	0.0	-72.34	372.83	7.47	-64.87
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012546851	1	45	0.0	-72.04	372.62	7.53	-64.51
C[N@@H+]1CCCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012546852	0	47	0.0	-77.26	374.01	6.47	-70.79
C[N@H+]1CCCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012546852	1	47	0.0	-74.17	374.24	6.41	-67.76
C[N@@H+]1CCCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012546853	0	41	0.0	-72.69	342.92	4.46	-68.23
C[N@H+]1CCCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012546853	1	41	0.0	-70.24	343.16	4.38	-65.86
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300012546854	0	45	0.0	-76.69	375.00	7.82	-68.87
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300012546854	1	45	0.0	-79.55	374.75	7.87	-71.68
C[N@@H+]1CCCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012546855	0	42	0.0	-71.56	361.59	6.22	-65.34
C[N@H+]1CCCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012546855	1	42	0.0	-72.54	358.40	6.73	-65.81
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)C1	REAL300012546856	0	39	0.0	-70.21	346.41	6.16	-64.05
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)C1	REAL300012546856	1	39	0.0	-72.89	346.40	6.15	-66.74
C[N@@H+]1CCCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012546857	0	42	0.0	-94.36	323.14	4.35	-90.01
C[N@H+]1CCCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012546857	1	42	0.0	-90.11	327.05	3.81	-86.30
C[N@@H+]1CCCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012546858	0	45	0.0	-75.21	343.50	5.80	-69.41
C[N@H+]1CCCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012546858	1	45	0.0	-72.17	347.80	5.83	-66.34
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])C1	REAL300012546859	0	56	0.0	-74.18	444.79	10.31	-63.87
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])C1	REAL300012546859	1	56	0.0	-71.31	444.78	10.30	-61.01
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012546860	0	51	0.0	-72.74	377.70	5.61	-67.13
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012546860	1	51	0.0	-78.01	381.95	5.65	-72.36
CN(C(=O)NC1CCC[N@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012546861	0	48	0.0	-75.60	366.95	9.46	-66.14
CN(C(=O)NC1CCC[N@@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012546861	1	48	0.0	-75.59	366.89	9.53	-66.06
CC1CCC(NC(=O)NC2CCC[N@H+](C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012546862	0	52	0.0	-77.48	382.96	8.80	-68.68
CC1CCC(NC(=O)NC2CCC[N@@H+](C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012546862	1	52	0.0	-77.59	382.92	8.84	-68.75
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012546863	0	51	0.0	-75.70	377.98	6.12	-69.58
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012546863	1	51	0.0	-73.34	381.76	5.67	-67.67
C[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)C1	REAL300012546864	0	56	0.0	-85.22	429.51	9.20	-76.02
C[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)C1	REAL300012546864	1	56	0.0	-85.14	433.54	8.68	-76.46
C[N@@H+]1CCCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012546865	0	50	0.0	-62.00	372.33	10.42	-51.58
C[N@H+]1CCCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012546865	1	50	0.0	-61.31	376.53	9.91	-51.40
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012546866	0	46	0.0	-80.69	365.79	6.60	-74.09
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012546866	1	46	0.0	-81.18	366.24	6.51	-74.67
CC(C1=CC=CC=C1)C(NC(=O)NC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012546867	0	48	0.0	-75.21	371.51	7.74	-67.47
CC(C1=CC=CC=C1)C(NC(=O)NC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012546867	1	48	0.0	-75.18	371.49	7.75	-67.43
C[N@@H+]1CCCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012546868	0	49	0.0	-72.31	366.11	8.19	-64.12
C[N@H+]1CCCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012546868	1	49	0.0	-72.71	370.64	7.52	-65.19
C[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012546869	0	55	0.0	-76.95	387.02	7.67	-69.28
C[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012546869	1	55	0.0	-78.29	391.37	7.14	-71.15
C[N@@H+]1CCCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012546870	0	49	0.0	-71.20	369.96	6.18	-65.02
C[N@H+]1CCCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012546870	1	49	0.0	-71.81	370.20	6.11	-65.70
C[N@@H+]1CCCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012546871	0	49	0.0	-49.92	343.55	8.12	-41.80
C[N@H+]1CCCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012546871	1	49	0.0	-55.40	343.74	8.11	-47.29
C[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012546872	0	49	0.0	-81.42	343.95	5.93	-75.49
C[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012546872	1	49	0.0	-81.39	343.93	5.92	-75.47
C[N@@H+]1CCCC(NC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300012546873	0	48	0.0	-74.66	394.57	8.67	-65.99
C[N@H+]1CCCC(NC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300012546873	1	48	0.0	-75.09	387.47	8.87	-66.22
CC1=CC=CC2=C1CCN(C(=O)NC1CCC[N@@H+](C)C1)C2C(=O)[O-]	REAL300012546874	0	49	0.0	-57.74	361.84	9.94	-47.80
CC1=CC=CC2=C1CCN(C(=O)NC1CCC[N@H+](C)C1)C2C(=O)[O-]	REAL300012546874	1	49	0.0	-60.49	365.90	9.42	-51.07
C[N@@H+]1CCCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012546875	0	49	0.0	-72.31	366.11	8.19	-64.12
C[N@H+]1CCCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012546875	1	49	0.0	-72.71	370.64	7.52	-65.19
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012546876	0	45	0.0	-75.06	362.56	7.53	-67.53
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012546876	1	45	0.0	-78.79	362.79	7.46	-71.33
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012546877	0	42	0.0	-74.17	335.92	6.16	-68.01
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012546877	1	42	0.0	-70.49	333.90	6.99	-63.50
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012546878	0	42	0.0	-71.11	348.34	6.46	-64.65
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012546878	1	42	0.0	-74.32	348.35	6.45	-67.87
COCC(NC(=O)NC1CCC[N@H+](C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012546879	0	49	0.0	-75.88	375.13	6.44	-69.44
COCC(NC(=O)NC1CCC[N@@H+](C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012546879	1	49	0.0	-75.84	374.89	6.43	-69.41
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCC[N@H+](C)C1	REAL300012546880	0	48	0.0	-50.06	365.92	10.13	-39.93
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCC[N@@H+](C)C1	REAL300012546880	1	48	0.0	-75.36	364.57	10.11	-65.25
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300012546881	0	45	0.0	-71.60	377.69	8.02	-63.58
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300012546881	1	45	0.0	-71.58	377.62	8.01	-63.57
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300012546882	0	49	0.0	-73.49	395.40	7.05	-66.44
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300012546882	1	49	0.0	-75.89	394.75	6.99	-68.90
C[N@@H+]1CCCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012546883	0	51	0.0	-72.85	378.33	7.60	-65.25
C[N@H+]1CCCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012546883	1	51	0.0	-76.41	378.33	7.58	-68.83
C[N@@H+]1CCCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012546884	0	48	0.0	-76.05	378.53	8.20	-67.85
C[N@H+]1CCCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012546884	1	48	0.0	-77.37	375.34	8.70	-68.67
C[N@@H+]1CCCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012546885	0	48	0.0	-72.81	379.12	8.24	-64.57
C[N@H+]1CCCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012546885	1	48	0.0	-74.80	375.10	8.77	-66.03
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012546886	0	49	0.0	-77.07	358.96	7.18	-69.89
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012546886	1	49	0.0	-78.19	357.13	6.97	-71.22
C[N@@H+]1CCCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012546887	0	51	0.0	-72.32	378.09	7.66	-64.66
C[N@H+]1CCCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012546887	1	51	0.0	-75.97	378.08	7.65	-68.32
C[N@@H+]1CCCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012546888	0	51	0.0	-76.39	378.34	7.59	-68.80
C[N@H+]1CCCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012546888	1	51	0.0	-76.33	373.43	8.13	-68.20
C[N@@H+]1CCCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012546889	0	49	0.0	-57.78	359.42	8.21	-49.57
C[N@H+]1CCCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012546889	1	49	0.0	-50.30	356.74	8.75	-41.55
C[N@@H+]1CCCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012546890	0	49	0.0	-86.52	352.44	8.75	-77.77
C[N@H+]1CCCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012546890	1	49	0.0	-84.01	356.16	8.17	-75.84
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300012546891	0	49	0.0	-80.38	398.47	7.00	-73.38
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300012546891	1	49	0.0	-80.36	398.49	6.99	-73.37
COC1=CC=C(CC(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300012546892	0	49	0.0	-72.72	384.99	6.71	-66.01
COC1=CC=C(CC(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300012546892	1	49	0.0	-75.02	385.88	6.70	-68.32
C=CCSCC(NC(=O)NC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012546893	0	43	0.0	-72.72	355.71	6.26	-66.46
C=CCSCC(NC(=O)NC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012546893	1	43	0.0	-72.35	355.70	6.25	-66.10
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012546894	0	46	0.0	-73.14	377.23	7.79	-65.35
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012546894	1	46	0.0	-73.05	377.14	7.78	-65.27
C[N@@H+]1CCCC(NC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300012546895	0	49	0.0	-80.54	387.61	7.63	-72.91
C[N@H+]1CCCC(NC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300012546895	1	49	0.0	-77.65	388.47	7.59	-70.06
COC1=CC=C2NC=C(CC(NC(=O)NC3CCC[N@H+](C)C3)C(=O)[O-])C2=C1	REAL300012546896	0	53	0.0	-89.28	419.82	6.63	-82.65
COC1=CC=C2NC=C(CC(NC(=O)NC3CCC[N@@H+](C)C3)C(=O)[O-])C2=C1	REAL300012546896	1	53	0.0	-78.56	414.96	6.76	-71.80
C[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012546897	0	48	0.0	-77.45	355.06	7.92	-69.53
C[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012546897	1	48	0.0	-77.17	353.05	6.67	-70.50
C[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012546898	0	49	0.0	-75.78	365.39	8.52	-67.26
C[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012546898	1	49	0.0	-80.60	361.37	9.04	-71.56
C[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012546899	0	42	0.0	-84.73	326.68	6.46	-78.27
C[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012546899	1	42	0.0	-75.61	333.00	5.98	-69.63
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300012546900	0	54	0.0	-76.10	410.29	8.78	-67.32
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300012546900	1	54	0.0	-76.11	410.34	8.77	-67.34
CC(C)C1=CC=C(C(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300012546901	0	51	0.0	-75.82	394.12	8.46	-67.36
CC(C)C1=CC=C(C(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300012546901	1	51	0.0	-75.60	393.72	8.43	-67.17
CCOC1=CC=C(C(NC(=O)NC2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300012546902	0	49	0.0	-75.79	385.24	6.76	-69.03
CCOC1=CC=C(C(NC(=O)NC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300012546902	1	49	0.0	-73.48	385.49	6.68	-66.80
C[N@@H+]1CCCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012546903	0	49	0.0	-87.50	347.75	9.52	-77.98
C[N@H+]1CCCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012546903	1	49	0.0	-82.51	352.94	8.96	-73.55
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012546904	0	49	0.0	-82.54	373.70	8.62	-73.92
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012546904	1	49	0.0	-78.20	371.00	9.03	-69.17
C[N@@H+]1CCCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012546905	0	49	0.0	-77.73	376.55	7.50	-70.23
C[N@H+]1CCCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012546905	1	49	0.0	-77.64	376.55	7.49	-70.15
C[N@@H+]1CCCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012546906	0	45	0.0	-79.24	370.11	7.45	-71.79
C[N@H+]1CCCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012546906	1	45	0.0	-76.62	370.34	7.38	-69.24
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300012546907	0	45	0.0	-74.04	377.45	8.08	-65.96
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])C1	REAL300012546907	1	45	0.0	-77.78	377.68	8.00	-69.78
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCC[N@H+](C)C2)C1	REAL300012546908	0	43	0.0	-76.97	341.01	7.23	-69.74
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCC[N@@H+](C)C2)C1	REAL300012546908	1	43	0.0	-79.53	340.00	7.45	-72.08
CN(C(=O)NC1CCC[N@H+](C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012546909	0	48	0.0	-75.60	366.98	9.46	-66.14
CN(C(=O)NC1CCC[N@@H+](C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012546909	1	48	0.0	-72.65	366.99	9.37	-63.28
C[N@@H+]1CCCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012546910	0	52	0.0	-49.07	365.45	9.17	-39.90
C[N@H+]1CCCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012546910	1	52	0.0	-52.83	373.59	8.69	-44.14
C[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012546911	0	45	0.0	-55.72	348.75	8.92	-46.80
C[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012546911	1	45	0.0	-61.53	354.83	9.20	-52.33
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300012546912	0	52	0.0	-74.08	408.34	9.87	-64.21
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300012546912	1	52	0.0	-74.07	408.29	9.85	-64.22
C[N@@H+]1CCCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012546913	0	46	0.0	-55.35	356.57	9.49	-45.86
C[N@H+]1CCCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012546913	1	46	0.0	-78.92	356.96	9.55	-69.37
C[N@@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012546914	0	48	0.0	-69.87	380.66	8.24	-61.63
C[N@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012546914	1	48	0.0	-69.99	380.65	8.23	-61.76
C[N@@H+]1CCCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012546915	0	42	0.0	-86.19	315.52	8.21	-77.98
C[N@H+]1CCCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012546915	1	42	0.0	-80.68	318.83	7.40	-73.28
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012546916	0	45	0.0	-75.06	362.56	7.53	-67.53
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012546916	1	45	0.0	-78.79	362.79	7.46	-71.33
C[N@@H+]1CCCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012546917	0	42	0.0	-72.98	347.20	6.31	-66.67
C[N@H+]1CCCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012546917	1	42	0.0	-75.70	346.95	6.36	-69.34
C[N@@H+]1CCCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012546918	0	42	0.0	-76.48	321.79	7.50	-68.98
C[N@H+]1CCCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012546918	1	42	0.0	-76.09	326.32	7.05	-69.04
C[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012546919	0	46	0.0	-76.56	361.16	7.12	-69.44
C[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012546919	1	46	0.0	-79.64	360.90	7.13	-72.51
C[N@@H+]1CCCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012546920	0	50	0.0	-81.12	383.95	8.67	-72.45
C[N@H+]1CCCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012546920	1	50	0.0	-82.24	380.94	9.30	-72.94
C[N@@H+]1CCCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012546921	0	42	0.0	-72.98	347.20	6.31	-66.67
C[N@H+]1CCCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012546921	1	42	0.0	-75.70	346.95	6.36	-69.34
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300012546922	0	42	0.0	-72.41	355.44	7.08	-65.33
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300012546922	1	42	0.0	-75.13	355.40	7.07	-68.06
C[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012546923	0	46	0.0	-80.30	349.42	8.29	-72.01
C[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012546923	1	46	0.0	-79.07	353.45	7.76	-71.31
C[N@@H+]1CCCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012546924	0	45	0.0	-72.19	339.29	7.24	-64.95
C[N@H+]1CCCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012546924	1	45	0.0	-74.49	335.05	7.81	-66.68
C[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012546925	0	56	0.0	-77.67	384.86	9.03	-68.64
C[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012546925	1	56	0.0	-79.77	389.84	8.56	-71.21
C[N@@H+]1CCCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012546926	0	48	0.0	-77.54	381.49	7.82	-69.72
C[N@H+]1CCCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012546926	1	48	0.0	-79.98	386.29	7.63	-72.35
C[N@@H+]1CCCC(NC(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])C1	REAL300012546927	0	46	0.0	-55.02	366.24	10.02	-45.00
C[N@H+]1CCCC(NC(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])C1	REAL300012546927	1	46	0.0	-60.86	370.29	9.52	-51.34
C[N@@H+]1CCCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012546928	0	53	0.0	-82.98	370.65	8.06	-74.92
C[N@H+]1CCCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012546928	1	53	0.0	-85.73	366.12	8.30	-77.43
C[N@@H+]1CCCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012546929	0	44	0.0	-69.64	368.17	6.02	-63.62
C[N@H+]1CCCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012546929	1	44	0.0	-76.20	367.97	6.11	-70.09
COCC[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012547244	0	51	0.0	-71.44	386.92	5.54	-65.90
C=CCOCC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547245	0	50	0.0	-72.89	394.85	4.02	-68.87
C=CC(C)C(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547246	0	49	0.0	-71.63	373.80	5.11	-66.52
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012547247	0	53	0.0	-72.10	398.26	4.29	-67.81
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012547248	0	49	0.0	-66.56	397.11	6.42	-60.14
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012547249	0	49	0.0	-66.51	407.00	6.87	-59.64
COCC[NH+]1CCC(NC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300012547250	0	53	0.0	-77.63	390.44	6.11	-71.52
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012547251	0	53	0.0	-70.67	392.71	4.04	-66.63
COCC[NH+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012547252	0	52	0.0	-77.20	378.82	7.76	-69.44
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300012547253	0	52	0.0	-69.20	411.10	7.01	-62.19
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012547254	0	54	0.0	-71.28	420.04	6.24	-65.04
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012547255	0	55	0.0	-72.35	426.98	7.72	-64.63
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300012547256	0	55	0.0	-72.45	422.59	7.59	-64.86
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)CC1	REAL300012547257	0	53	0.0	-69.84	429.93	6.16	-63.68
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300012547258	0	55	0.0	-72.60	414.36	7.34	-65.26
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300012547259	0	53	0.0	-69.72	419.89	5.76	-63.96
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCOC)CC1	REAL300012547260	0	48	0.0	-59.76	367.66	6.82	-52.94
COCC[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012547261	0	52	0.0	-61.17	380.71	7.19	-53.98
CCCN(C(=O)NC1CC[NH+](CCOC)CC1)C(COC)C(=O)[O-]	REAL300012547262	0	55	0.0	-71.08	410.24	7.73	-63.35
CCCN(C(=O)NC1CC[NH+](CCOC)CC1)C(CC)C(=O)[O-]	REAL300012547263	0	54	0.0	-68.19	393.93	7.68	-60.51
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012547264	0	48	0.0	-70.02	359.67	4.65	-65.37
COCC[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012547265	0	49	0.0	-78.55	358.59	7.38	-71.17
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012547266	0	49	0.0	-68.31	400.48	6.87	-61.44
COCC[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012547267	0	47	0.0	-75.75	358.10	7.27	-68.48
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012547268	0	52	0.0	-72.98	377.74	6.45	-66.53
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012547269	0	49	0.0	-74.25	362.69	5.32	-68.93
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012547270	0	55	0.0	-73.49	383.37	7.10	-66.39
COCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547271	0	52	0.0	-72.53	406.42	7.31	-65.22
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012547272	0	52	0.0	-59.99	405.15	9.05	-50.94
COCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547273	0	49	0.0	-71.52	384.17	6.39	-65.13
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547274	0	49	0.0	-71.56	384.16	6.38	-65.18
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012547275	0	48	0.0	-70.02	359.67	4.65	-65.37
COCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547276	0	52	0.0	-72.53	406.42	7.31	-65.22
CCC(C)C(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547277	0	51	0.0	-71.99	379.47	5.20	-66.79
COCC[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012547278	0	49	0.0	-78.55	358.59	7.38	-71.17
CCCC(C)(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547279	0	51	0.0	-69.32	373.87	5.37	-63.95
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012547280	0	48	0.0	-70.17	356.59	6.29	-63.88
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012547281	0	51	0.0	-59.16	382.08	7.11	-52.05
COCC[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012547282	0	53	0.0	-78.80	396.42	9.41	-69.39
COCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012547283	0	49	0.0	-70.96	361.80	5.37	-65.59
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012547284	0	46	0.0	-70.40	375.73	5.47	-64.93
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012547285	0	52	0.0	-72.98	377.74	6.45	-66.53
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012547286	0	52	0.0	-57.20	421.88	9.59	-47.61
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012547287	0	48	0.0	-70.17	356.59	6.29	-63.88
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCOC)CC1	REAL300012547288	0	48	0.0	-59.76	367.66	6.82	-52.94
COCC[NH+]1CCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012547289	0	56	0.0	-73.12	435.42	7.39	-65.73
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547290	0	51	0.0	-70.70	377.78	5.19	-65.51
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012547291	0	49	0.0	-74.25	362.69	5.32	-68.93
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012547292	0	52	0.0	-57.45	411.56	9.13	-48.32
CCC(C)(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547293	0	48	0.0	-69.06	352.37	4.61	-64.45
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012547294	0	53	0.0	-73.18	403.72	7.62	-65.56
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012547295	0	49	0.0	-72.03	395.25	6.46	-65.57
COCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547296	0	52	0.0	-72.09	392.18	7.08	-65.01
CCCCCCC(C)(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547297	0	60	0.0	-69.52	438.36	7.70	-61.82
COCC[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547298	0	55	0.0	-70.00	415.23	9.19	-60.81
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012547299	0	49	0.0	-68.31	400.48	6.87	-61.44
COCC[NH+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012547300	0	47	0.0	-74.79	349.12	4.70	-70.09
COCC[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012547301	0	55	0.0	-75.68	386.97	7.78	-67.90
COCC[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012547302	0	55	0.0	-60.47	427.57	9.83	-50.64
COCC[NH+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547303	0	52	0.0	-76.32	394.96	7.90	-68.42
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCOC)CC1	REAL300012547304	0	49	0.0	-60.72	377.54	5.24	-55.48
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012547305	0	53	0.0	-75.26	399.08	7.36	-67.90
COCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012547306	0	49	0.0	-77.32	358.11	7.13	-70.19
COCC[NH+]1CCC(NC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012547307	0	49	0.0	-76.06	364.13	6.71	-69.35
COCC[NH+]1CCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012547308	0	56	0.0	-77.82	440.30	7.26	-70.56
COCC[NH+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012547309	0	52	0.0	-75.50	372.35	8.09	-67.41
CCCCC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547310	0	51	0.0	-70.29	390.40	5.81	-64.48
COCC[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012547311	0	55	0.0	-60.47	427.57	9.83	-50.64
COCC[NH+]1CCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012547312	0	49	0.0	-76.14	364.06	6.68	-69.46
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012547313	0	52	0.0	-57.05	376.25	7.39	-49.66
COCC[NH+]1CCC(NC(=O)NC(COC)C(=O)[O-])CC1	REAL300012547314	0	46	0.0	-72.79	360.09	2.47	-70.32
CCCCCC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547315	0	54	0.0	-69.94	412.49	6.63	-63.31
CCC1CCC(NC(=O)NC2CC[NH+](CCOC)CC2)(C(=O)[O-])CC1	REAL300012547316	0	58	0.0	-73.97	416.80	7.70	-66.27
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012547317	0	53	0.0	-59.36	390.93	5.95	-53.41
COCC[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012547318	0	52	0.0	-75.98	375.42	7.35	-68.63
COCC[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012547319	0	49	0.0	-61.09	364.72	6.71	-54.38
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](CCOC)CC1)C1CC1	REAL300012547320	0	52	0.0	-62.99	384.99	7.83	-55.16
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012547321	0	49	0.0	-73.03	394.51	6.73	-66.30
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012547322	0	49	0.0	-76.76	387.96	6.41	-70.35
COCC[NH+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012547323	0	53	0.0	-61.84	399.22	8.75	-53.09
COCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012547324	0	52	0.0	-74.57	420.52	7.53	-67.04
COCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012547325	0	58	0.0	-76.43	450.41	9.31	-67.12
COCC[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012547326	0	58	0.0	-72.14	428.62	7.45	-64.69
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012547327	0	55	0.0	-58.71	417.34	9.67	-49.04
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300012547328	0	52	0.0	-72.17	405.78	6.99	-65.18
COCC[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012547329	0	45	0.0	-64.66	363.92	5.01	-59.65
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012547330	0	55	0.0	-73.82	430.36	8.59	-65.23
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012547331	0	50	0.0	-70.09	375.41	6.12	-63.97
COCC[NH+]1CCC(NC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300012547332	0	49	0.0	-73.47	370.61	3.89	-69.58
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CCOC)CC1	REAL300012547333	0	52	0.0	-69.53	390.00	5.73	-63.80
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012547334	0	51	0.0	-59.16	382.08	7.11	-52.05
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](CCOC)CC1	REAL300012547335	0	58	0.0	-58.24	433.23	10.39	-47.85
COCC[NH+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012547336	0	48	0.0	-59.65	385.79	7.20	-52.45
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012547337	0	47	0.0	-69.72	353.86	2.74	-66.98
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012547338	0	55	0.0	-71.67	401.30	6.51	-65.16
COCC[NH+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012547339	0	56	0.0	-70.36	418.02	7.13	-63.23
COCC[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012547340	0	56	0.0	-77.20	423.63	10.23	-66.97
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012547341	0	50	0.0	-73.14	369.17	3.96	-69.18
C=CCCC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547342	0	49	0.0	-70.30	382.54	5.57	-64.73
COCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012547343	0	55	0.0	-52.02	415.23	10.05	-41.97
CCC(CC)(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547344	0	51	0.0	-70.97	369.04	5.50	-65.47
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)CC1	REAL300012547345	0	53	0.0	-72.18	413.84	5.60	-66.58
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CCOC)CC1	REAL300012547346	0	51	0.0	-59.22	376.88	7.39	-51.83
CCC(COC)(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547347	0	52	0.0	-74.63	387.05	4.81	-69.82
COCC[NH+]1CCC(NC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012547348	0	55	0.0	-69.65	410.27	6.48	-63.17
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012547349	0	52	0.0	-74.22	394.27	2.45	-71.77
COCC[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012547350	0	49	0.0	-70.29	379.00	5.80	-64.49
COCCC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547351	0	49	0.0	-70.32	381.66	3.36	-66.96
COCC[NH+]1CCC(NC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012547352	0	54	0.0	-68.95	396.51	7.57	-61.38
COCC[NH+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012547353	0	45	0.0	-69.83	359.75	4.55	-65.28
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CCOC)CC1	REAL300012547354	0	55	0.0	-78.57	398.74	8.66	-69.91
CCCN(C(=O)NC1CC[NH+](CCOC)CC1)C(C)C(=O)[O-]	REAL300012547355	0	51	0.0	-53.93	378.74	7.63	-46.30
COCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012547356	0	55	0.0	-75.63	416.04	9.91	-65.72
CCC(NC(=O)NC1CC[NH+](CCOC)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012547357	0	55	0.0	-69.33	425.81	8.48	-60.85
CCC(NC(=O)NC1CC[NH+](CCOC)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012547358	0	55	0.0	-72.14	409.16	7.97	-64.17
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300012547359	0	59	0.0	-76.23	434.40	5.45	-70.78
COCC[NH+]1CCC(NC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012547360	0	45	0.0	-68.93	354.58	4.44	-64.49
COCC[NH+]1CCC(NC(=O)NC(CC2(OC)CCC2)C(=O)[O-])CC1	REAL300012547361	0	56	0.0	-69.49	418.12	5.41	-64.08
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012547362	0	53	0.0	-59.36	390.93	5.95	-53.41
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012547363	0	55	0.0	-58.59	399.89	8.33	-50.26
COCC[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012547364	0	55	0.0	-74.01	391.54	6.83	-67.18
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012547365	0	53	0.0	-73.90	413.67	5.67	-68.23
COCC[NH+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012547366	0	48	0.0	-66.27	358.96	4.75	-61.52
COCC[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012547367	0	50	0.0	-63.04	382.10	6.93	-56.11
COCC[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012547368	0	46	0.0	-70.89	362.17	5.91	-64.98
COCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012547369	0	53	0.0	-73.96	413.28	5.64	-68.32
COCC[NH+]1CCC(NC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])CC1	REAL300012547370	0	55	0.0	-77.01	413.20	8.03	-68.98
COCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])CC1	REAL300012547371	0	56	0.0	-71.84	436.10	6.55	-65.29
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012547372	0	58	0.0	-73.85	405.64	7.29	-66.56
COCC[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012547373	0	47	0.0	-79.27	352.84	6.73	-72.54
COCC[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300012547374	0	55	0.0	-69.77	426.52	7.95	-61.82
COCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012547375	0	54	0.0	-68.13	420.32	7.78	-60.35
COCC[NH+]1CCC(NC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300012547376	0	53	0.0	-75.44	396.00	5.71	-69.73
COCC[NH+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012547377	0	56	0.0	-70.12	415.39	5.76	-64.36
COCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012547378	0	51	0.0	-72.12	379.01	5.35	-66.77
C=C(Cl)CC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547379	0	46	0.0	-67.01	376.70	5.37	-61.64
C=C(C)CC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547380	0	49	0.0	-71.00	381.38	5.55	-65.45
COCC[NH+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012547381	0	50	0.0	-82.96	368.81	7.59	-75.37
COCC[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012547382	0	55	0.0	-70.29	416.20	7.50	-62.79
COCC[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012547383	0	46	0.0	-71.28	362.18	5.90	-65.38
COCC[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012547384	0	46	0.0	-74.96	354.17	5.77	-69.19
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CCOC)CC2)C1	REAL300012547385	0	47	0.0	-76.67	361.16	6.25	-70.42
COCC[NH+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012547386	0	56	0.0	-70.89	415.23	5.79	-65.10
COCC[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012547387	0	51	0.0	-71.44	386.92	5.54	-65.90
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012547388	0	53	0.0	-72.10	398.26	4.29	-67.81
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547389	0	49	0.0	-71.56	384.16	6.38	-65.18
COCC[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012547390	0	49	0.0	-70.29	379.00	5.80	-64.49
COCC[NH+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012547391	0	48	0.0	-69.03	392.35	4.44	-64.59
COCC[NH+]1CCC(NC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012547392	0	57	0.0	-70.40	430.30	7.09	-63.31
COCC[NH+]1CCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012547393	0	55	0.0	-73.89	435.25	7.73	-66.16
COCC[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012547394	0	53	0.0	-74.72	404.41	4.62	-70.10
COCC[NH+]1CCC(NC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012547395	0	46	0.0	-68.59	371.71	4.66	-63.93
COCC[NH+]1CCC(NC(=O)N[C@@H](COC)C(=O)[O-])CC1	REAL300012547396	0	46	0.0	-72.64	360.07	2.48	-70.16
COCC[NH+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012547397	0	52	0.0	-69.86	413.06	7.33	-62.53
CCC(C)CC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547398	0	54	0.0	-70.80	405.16	6.20	-64.60
C=CCCCC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547399	0	52	0.0	-69.89	403.21	6.37	-63.52
COCC[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012547400	0	52	0.0	-70.25	413.01	7.33	-62.92
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012547401	0	55	0.0	-76.61	425.51	8.43	-68.18
COCC[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012547402	0	47	0.0	-75.75	358.10	7.27	-68.48
COCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547403	0	52	0.0	-72.09	392.18	7.08	-65.01
CCCC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547404	0	48	0.0	-70.06	369.49	5.07	-64.99
COCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300012547405	0	48	0.0	-70.99	359.66	4.65	-66.34
COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012547406	0	50	0.0	-80.91	368.75	7.72	-73.19
CCN(C(=O)NC1CC[NH+](CCOC)CC1)C(C)(C)C(=O)[O-]	REAL300012547407	0	51	0.0	-71.95	372.54	7.01	-64.94
CCCN(C(=O)NC1CC[NH+](CCOC)CC1)C(C)C(=O)[O-]	REAL300012547408	0	51	0.0	-53.93	378.74	7.63	-46.30
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012547409	0	45	0.0	-66.20	360.78	6.56	-59.64
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012547410	0	45	0.0	-66.20	360.78	6.56	-59.64
COCC[NH+]1CCC(NC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012547411	0	48	0.0	-73.57	353.37	6.13	-67.44
COCC[NH+]1CCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012547412	0	58	0.0	-60.61	434.49	4.55	-56.06
COCC[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012547413	0	47	0.0	-78.06	359.01	2.44	-75.62
COCC[NH+]1CCC(NC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012547414	1	62	0.0	-59.33	458.54	4.25	-55.08
COCC[NH+]1CCC(NC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])CC1	REAL300012547415	0	53	0.0	-56.76	400.49	9.22	-47.54
COCC[NH+]1CCC(NC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012547416	0	56	0.0	-62.81	411.39	9.29	-53.52
CCC[C@@H](NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547417	0	48	0.0	-70.12	369.48	5.07	-65.05
COCC[NH+]1CCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012547418	0	54	0.0	-71.03	403.75	7.47	-63.56
COCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547419	0	49	0.0	-71.52	384.17	6.39	-65.13
COCC[NH+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012547420	0	54	0.0	-72.91	424.52	6.27	-66.64
C=CCCC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547421	0	49	0.0	-70.30	382.54	5.57	-64.73
COCC[NH+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012547422	0	48	0.0	-74.22	393.17	4.26	-69.96
COCC[NH+]1CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012547423	0	49	0.0	-66.99	411.85	6.09	-60.90
COCC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012547424	0	49	0.0	-83.89	377.49	3.66	-80.23
COCC[NH+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012547425	0	50	0.0	-69.28	373.98	5.15	-64.13
COCC[NH+]1CCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012547426	0	49	0.0	-75.24	364.03	6.70	-68.54
COCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300012547427	0	48	0.0	-71.46	360.91	4.56	-66.90
COCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547428	0	49	0.0	-71.79	383.75	6.35	-65.44
COCC[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012547429	0	52	0.0	-70.90	397.73	5.76	-65.14
CCC[C@H](NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547430	0	48	0.0	-71.12	369.72	5.01	-66.11
CCN(C(=O)NC1CC[NH+](CCOC)CC1)C(C)C(=O)[O-]	REAL300012547431	0	48	0.0	-68.84	357.43	6.18	-62.66
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012547432	0	52	0.0	-57.05	376.25	7.39	-49.66
COCC[NH+]1CCC(NC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300012547433	0	48	0.0	-74.61	359.71	5.98	-68.63
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547434	0	51	0.0	-70.70	377.78	5.19	-65.51
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CCOC)CC1	REAL300012547435	0	48	0.0	-68.00	359.18	6.28	-61.72
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012547436	0	50	0.0	-79.20	379.99	2.11	-77.09
COCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012547437	0	58	0.0	-73.19	430.63	5.58	-67.61
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012547438	0	52	0.0	-73.17	384.29	5.96	-67.21
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012547439	0	55	0.0	-74.35	393.77	6.70	-67.65
COCCC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547440	0	49	0.0	-70.32	381.66	3.36	-66.96
COCC[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547441	0	55	0.0	-70.00	415.23	9.19	-60.81
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012547442	0	52	0.0	-74.41	385.79	6.64	-67.77
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)CC1	REAL300012547443	0	59	0.0	-74.34	433.02	8.64	-65.70
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012547444	0	49	0.0	-72.94	371.84	5.60	-67.34
COCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012547445	0	58	0.0	-72.65	432.74	5.48	-67.17
COCC[NH+]1CCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012547446	0	47	0.0	-81.55	357.64	2.65	-78.90
COCC[NH+]1CCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012547447	0	57	0.0	-63.51	426.63	9.88	-53.63
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012547448	0	50	0.0	-69.61	382.75	3.38	-66.23
COCC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012547449	0	50	0.0	-79.85	368.72	7.28	-72.57
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012547450	0	53	0.0	-78.60	416.06	6.45	-72.15
COCC[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012547451	0	48	0.0	-76.07	361.38	4.96	-71.11
COCC[NH+]1CCC(NC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012547452	0	52	0.0	-78.32	379.13	8.00	-70.32
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012547453	0	55	0.0	-72.25	423.40	7.66	-64.59
COCC[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012547454	0	56	0.0	-70.42	416.45	8.05	-62.37
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012547455	0	49	0.0	-71.43	368.36	5.12	-66.31
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012547456	0	62	0.0	-71.86	441.50	7.02	-64.84
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012547457	0	55	0.0	-71.67	401.30	6.51	-65.16
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012547458	0	49	0.0	-71.43	368.36	5.12	-66.31
COCC[NH+]1CCC(NC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012547459	0	49	0.0	-77.75	368.30	6.44	-71.31
COCC[NH+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012547460	0	56	0.0	-69.79	420.21	6.04	-63.75
COCC[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012547461	0	56	0.0	-54.03	393.94	7.99	-46.04
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012547462	0	56	0.0	-73.17	398.26	5.22	-67.95
COCC[NH+]1CCC(NC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC1	REAL300012547463	0	56	0.0	-64.30	417.24	9.20	-55.10
COCC[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012547464	0	50	0.0	-56.45	369.70	7.18	-49.27
COCC[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012547465	0	56	0.0	-70.42	416.45	8.05	-62.37
COCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012547466	0	52	0.0	-74.11	413.08	7.31	-66.80
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300012547467	0	50	0.0	-76.10	382.72	3.90	-72.20
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012547468	0	46	0.0	-71.93	357.78	4.97	-66.96
COCC[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)CC1	REAL300012547469	0	50	0.0	-70.69	380.93	3.80	-66.89
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012547470	0	49	0.0	-71.93	386.25	6.05	-65.88
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CCOC)CC1	REAL300012547471	0	52	0.0	-76.78	377.52	7.55	-69.23
COCC[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012547472	0	45	0.0	-64.66	363.92	5.01	-59.65
COCC[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012547473	0	53	0.0	-72.65	403.15	4.29	-68.36
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012547474	0	44	0.0	-68.18	340.17	1.98	-66.20
COCC[NH+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012547475	0	49	0.0	-71.24	397.69	6.34	-64.90
COCC[NH+]1CCC(NC(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547476	0	56	0.0	-70.73	425.37	6.29	-64.44
COCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012547477	0	51	0.0	-69.99	369.10	5.30	-64.69
COCC[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012547478	0	47	0.0	-78.68	354.03	7.29	-71.39
COCC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012547479	0	50	0.0	-77.49	370.23	6.92	-70.57
COCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012547480	0	55	0.0	-75.63	416.04	9.91	-65.72
COCC[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012547481	0	58	0.0	-72.14	428.62	7.45	-64.69
COCC[NH+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547482	0	55	0.0	-71.47	428.79	8.06	-63.41
COCC[NH+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547483	0	55	0.0	-71.83	429.38	8.09	-63.74
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012547484	0	56	0.0	-72.68	410.90	7.05	-65.63
COCC[NH+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012547485	0	58	0.0	-70.99	428.49	7.49	-63.50
COCC[NH+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012547486	0	58	0.0	-71.73	428.54	7.45	-64.28
COCC[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012547487	0	56	0.0	-55.74	408.76	8.11	-47.63
COCC[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012547488	0	56	0.0	-78.56	405.77	7.84	-70.72
COCC[NH+]1CCC(NC(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])CC1	REAL300012547489	0	56	0.0	-73.21	435.92	6.61	-66.60
C=CCSCC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547490	0	50	0.0	-68.25	406.21	6.05	-62.20
COCC[NH+]1CCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012547491	0	53	0.0	-71.73	427.48	7.64	-64.09
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](CCOC)CC1	REAL300012547492	0	51	0.0	-69.46	373.01	7.04	-62.42
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(OC)CCC2)CC1	REAL300012547493	0	53	0.0	-68.51	395.58	3.86	-64.65
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012547494	0	55	0.0	-71.91	409.33	7.24	-64.67
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012547495	0	56	0.0	-73.30	415.66	8.36	-64.94
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012547496	0	49	0.0	-72.32	379.73	5.67	-66.65
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300012547498	0	61	0.0	-71.96	460.36	8.72	-63.24
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300012547499	0	58	0.0	-72.13	444.58	8.24	-63.89
COCC[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012547500	0	46	0.0	-74.96	354.17	5.77	-69.19
COCC[NH+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012547501	0	48	0.0	-57.30	363.00	6.98	-50.32
COCC[NH+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012547502	0	52	0.0	-77.40	383.10	6.81	-70.59
CCOC1=CC=C(C(NC(=O)NC2CC[NH+](CCOC)CC2)C(=O)[O-])C=C1	REAL300012547503	0	56	0.0	-71.48	435.10	6.56	-64.92
COCC[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012547504	0	56	0.0	-76.77	403.51	8.80	-67.97
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012547505	0	56	0.0	-71.06	424.08	8.79	-62.27
COCC[NH+]1CCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547506	0	56	0.0	-75.33	426.82	7.35	-67.98
COCC[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012547507	0	52	0.0	-74.50	420.60	7.24	-67.26
COCC[NH+]1CCC(NC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300012547508	0	54	0.0	-70.57	408.80	6.31	-64.26
COCC[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012547509	0	53	0.0	-55.88	393.88	7.63	-48.25
COCC[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012547510	0	53	0.0	-72.65	403.15	4.29	-68.36
COCC[NH+]1CCC(NC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])CC1	REAL300012547511	0	50	0.0	-74.47	390.07	7.25	-67.22
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012547512	0	53	0.0	-75.88	383.56	7.08	-68.80
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012547513	0	50	0.0	-75.52	370.71	6.18	-69.34
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012547514	0	53	0.0	-74.48	398.06	6.80	-67.68
COCC[NH+]1CCC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547515	0	55	0.0	-70.91	417.26	9.23	-61.68
COCC[NH+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012547516	0	59	0.0	-55.82	423.00	8.58	-47.24
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012547517	0	52	0.0	-71.02	384.39	5.81	-65.21
COCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300012547518	0	49	0.0	-72.21	378.09	3.54	-68.67
COCC[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012547519	0	49	0.0	-72.83	362.39	5.46	-67.37
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012547520	0	52	0.0	-59.99	405.15	9.05	-50.94
COCC[NH+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012547521	0	52	0.0	-55.96	386.85	6.94	-49.02
COCC[NH+]1CCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012547522	0	53	0.0	-57.96	411.53	8.73	-49.23
COCC[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012547523	0	49	0.0	-75.28	369.09	7.22	-68.06
COCC[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012547524	0	46	0.0	-80.10	360.95	5.88	-74.22
COCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012547525	0	52	0.0	-74.11	413.08	7.31	-66.80
COCC[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012547526	0	49	0.0	-70.72	396.65	6.18	-64.54
COCC[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012547527	0	49	0.0	-69.31	376.16	6.81	-62.50
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012547528	0	53	0.0	-73.44	411.42	6.97	-66.47
COCC[NH+]1CCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300012547529	0	57	0.0	-75.52	434.82	8.56	-66.96
COCC[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012547530	0	49	0.0	-70.72	396.65	6.18	-64.54
COCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012547531	0	53	0.0	-78.07	385.86	7.30	-70.77
COCCCC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547532	0	52	0.0	-70.47	403.40	4.08	-66.39
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CCOC)CC1	REAL300012547533	0	51	0.0	-68.95	380.15	7.00	-61.95
CCOCC(NC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012547534	0	49	0.0	-72.48	381.94	3.45	-69.03
COCC[NH+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012547535	0	54	0.0	-70.94	398.94	6.66	-64.28
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012547536	0	53	0.0	-74.23	399.48	4.80	-69.43
COCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012547537	0	53	0.0	-73.18	403.72	7.62	-65.56
COCC[NH+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012547538	0	50	0.0	-77.48	369.59	5.72	-71.76
COCC[NH+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012547539	0	52	0.0	-70.30	389.44	7.13	-63.17
COCC[NH+]1CCC(NC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012547540	0	46	0.0	-71.33	368.85	4.80	-66.53
COCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300012547541	0	63	0.0	-75.91	440.77	8.35	-67.56
COCC[NH+]1CCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012547542	0	55	0.0	-73.45	431.98	7.60	-65.85
COCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012547543	0	49	0.0	-60.75	386.81	7.20	-53.55
COCC[NH+]1CCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012547544	0	60	0.0	-75.88	420.49	7.68	-68.20
COCC[NH+]1CCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012547545	0	51	0.0	-67.90	418.21	5.93	-61.97
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CCOC)CC2)C1	REAL300012547546	0	53	0.0	-73.18	401.29	6.17	-67.01
C=CCOCC(NC(=O)NCC1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012547547	0	49	0.0	-76.30	382.00	5.60	-70.70
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012547548	0	52	0.0	-77.60	380.02	5.61	-71.99
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012547549	0	48	0.0	-70.26	384.35	7.96	-62.30
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012547550	0	48	0.0	-69.66	393.64	8.43	-61.23
CC[NH+]1CCC(CNC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300012547551	0	52	0.0	-87.11	375.68	7.80	-79.31
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012547552	0	52	0.0	-74.43	379.40	5.66	-68.77
CC[NH+]1CCC(CNC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012547553	0	51	0.0	-86.57	359.27	9.10	-77.47
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300012547554	0	51	0.0	-74.13	398.39	8.53	-65.60
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012547555	0	53	0.0	-77.42	407.57	7.68	-69.74
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012547556	0	54	0.0	-78.39	414.51	9.16	-69.23
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300012547557	0	54	0.0	-77.45	410.07	9.04	-68.41
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)CC1	REAL300012547558	0	52	0.0	-73.06	416.57	7.72	-65.34
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300012547559	0	54	0.0	-77.92	401.68	8.87	-69.05
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300012547560	0	52	0.0	-73.81	407.37	7.20	-66.61
CC[NH+]1CCC(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012547561	0	51	0.0	-63.48	367.28	8.63	-54.85
CCCN(C(=O)NCC1CC[NH+](CC)CC1)C(COC)C(=O)[O-]	REAL300012547562	0	54	0.0	-72.90	392.53	7.92	-64.98
CCCN(C(=O)NCC1CC[NH+](CC)CC1)C(CC)C(=O)[O-]	REAL300012547563	0	53	0.0	-71.27	381.73	9.31	-61.96
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012547564	0	48	0.0	-72.19	387.77	8.38	-63.81
CC[NH+]1CCC(CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012547565	0	46	0.0	-85.02	345.98	8.95	-76.07
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012547566	0	51	0.0	-80.96	364.57	7.94	-73.02
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012547567	0	54	0.0	-81.58	370.66	8.64	-72.94
CC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547568	0	51	0.0	-75.98	393.71	8.84	-67.14
CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012547569	0	51	0.0	-60.24	392.43	10.59	-49.65
CC[NH+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547570	0	48	0.0	-76.32	371.69	7.84	-68.48
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547571	0	48	0.0	-75.91	371.04	7.86	-68.05
CC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547572	0	51	0.0	-75.98	393.71	8.84	-67.14
CC[NH+]1CCC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012547573	0	52	0.0	-86.75	383.21	10.83	-75.92
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012547574	0	45	0.0	-75.06	362.68	6.95	-68.11
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012547575	0	51	0.0	-80.96	364.57	7.94	-73.02
CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012547576	0	51	0.0	-57.73	409.17	11.11	-46.62
CC[NH+]1CCC(CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012547577	0	55	0.0	-79.27	422.18	8.86	-70.41
CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)CC1	REAL300012547578	0	59	0.0	-62.95	451.41	9.20	-53.75
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300012547579	0	48	0.0	-72.10	392.34	8.49	-63.61
CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012547580	0	51	0.0	-57.91	398.85	10.65	-47.26
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012547581	0	52	0.0	-79.62	389.62	9.01	-70.61
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012547582	0	48	0.0	-77.43	382.52	8.00	-69.43
CC[NH+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547583	0	51	0.0	-77.36	379.46	8.61	-68.75
CCCCCCC(C)(NC(=O)NCC1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012547584	0	59	0.0	-76.90	425.65	9.23	-67.67
CC[NH+]1CCC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547585	0	54	0.0	-73.10	402.51	10.71	-62.39
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012547586	0	48	0.0	-72.19	387.77	8.38	-63.81
CC[NH+]1CCC(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012547587	0	54	0.0	-80.58	374.28	9.29	-71.29
CC[NH+]1CCC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012547588	0	54	0.0	-63.08	414.85	11.36	-51.72
CC[NH+]1CCC(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547589	0	51	0.0	-80.62	380.25	9.81	-70.81
CC[NH+]1CCC(CNC(=O)N(CCOC)CC(=O)[O-])CC1	REAL300012547590	0	48	0.0	-62.50	364.83	6.76	-55.74
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012547591	0	52	0.0	-81.96	386.69	8.96	-73.00
CC[NH+]1CCC(CNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012547592	0	55	0.0	-83.26	427.84	8.73	-74.53
CC[NH+]1CCC(CNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012547593	0	51	0.0	-79.18	359.33	8.97	-70.21
CC[NH+]1CCC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012547594	0	54	0.0	-63.08	414.85	11.36	-51.72
CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012547595	0	51	0.0	-61.23	369.78	9.15	-52.08
CCCCCC(NC(=O)NCC1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012547596	0	53	0.0	-73.92	399.77	8.15	-65.77
CCC1CCC(NC(=O)NCC2CC[NH+](CC)CC2)(C(=O)[O-])CC1	REAL300012547597	0	57	0.0	-76.63	397.75	8.51	-68.12
CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012547598	0	52	0.0	-61.83	378.22	7.48	-54.35
CC[NH+]1CCC(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012547599	0	51	0.0	-81.72	360.95	8.57	-73.15
CCC(C(=O)[O-])N(C(=O)NCC1CC[NH+](CC)CC1)C1CC1	REAL300012547600	0	51	0.0	-58.77	372.54	9.27	-49.50
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012547601	0	48	0.0	-77.69	382.42	8.30	-69.39
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012547602	0	48	0.0	-81.60	375.83	7.99	-73.61
CC[NH+]1CCC(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012547603	0	52	0.0	-64.44	386.59	10.26	-54.18
CC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012547604	0	51	0.0	-79.08	407.81	9.04	-70.04
CC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012547605	0	57	0.0	-82.14	437.69	10.82	-71.32
CC[NH+]1CCC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012547606	0	57	0.0	-75.46	415.89	8.97	-66.49
CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012547607	0	54	0.0	-61.53	400.09	10.67	-50.86
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300012547608	0	51	0.0	-75.97	392.45	8.54	-67.43
CC[NH+]1CCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012547609	0	44	0.0	-68.58	351.21	6.54	-62.04
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012547610	0	54	0.0	-78.85	417.42	10.18	-68.67
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012547611	0	49	0.0	-76.53	362.72	7.67	-68.86
CC[NH+]1CCC(CNC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300012547612	0	48	0.0	-79.13	357.90	5.42	-73.71
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC)CC1	REAL300012547613	0	51	0.0	-71.67	378.51	7.17	-64.50
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CC[NH+](CC)CC1	REAL300012547614	0	57	0.0	-57.15	420.50	11.92	-45.23
CC[NH+]1CCC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012547615	0	47	0.0	-61.72	373.08	8.72	-53.00
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012547616	0	54	0.0	-78.55	389.25	7.97	-70.58
CC[NH+]1CCC(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012547617	0	55	0.0	-73.99	404.82	8.54	-65.45
CC[NH+]1CCC(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012547618	0	55	0.0	-86.23	410.61	11.73	-74.50
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012547619	0	49	0.0	-78.06	356.45	5.48	-72.58
CC[NH+]1CCC(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012547620	0	54	0.0	-57.76	401.64	11.63	-46.13
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)CC1	REAL300012547621	0	52	0.0	-76.16	401.14	7.12	-69.04
CC[NH+]1CCC(CNC(=O)NC(CC)(COC)C(=O)[O-])CC1	REAL300012547622	0	51	0.0	-80.51	374.34	6.34	-74.17
CC[NH+]1CCC(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012547623	0	54	0.0	-72.21	398.79	7.93	-64.28
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012547624	0	51	0.0	-81.18	381.57	3.97	-77.21
CC[NH+]1CCC(CNC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012547625	0	48	0.0	-74.31	369.19	4.83	-69.48
CC[NH+]1CCC(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012547626	0	53	0.0	-70.37	384.34	9.15	-61.22
CC[NH+]1CCC(CNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012547627	0	44	0.0	-73.79	347.87	6.06	-67.73
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CC)CC1	REAL300012547628	0	54	0.0	-84.15	386.12	10.19	-73.96
CC[NH+]1CCC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012547629	0	54	0.0	-54.63	403.98	11.46	-43.17
CC[NH+]1CCC(CNC(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012547630	0	54	0.0	-76.06	413.18	10.03	-66.03
CC[NH+]1CCC(CNC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547631	0	54	0.0	-79.53	396.45	9.51	-70.02
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300012547632	0	58	0.0	-80.56	421.71	6.97	-73.59
CC[NH+]1CCC(CNC(=O)NC(CC2(OC)CCC2)C(=O)[O-])CC1	REAL300012547633	0	55	0.0	-76.97	405.91	7.13	-69.84
CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012547634	0	52	0.0	-61.83	378.22	7.48	-54.35
CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012547635	0	54	0.0	-61.71	387.18	9.86	-51.85
CC[NH+]1CCC(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012547636	0	54	0.0	-81.01	378.84	8.35	-72.66
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012547637	0	52	0.0	-78.37	400.96	7.21	-71.16
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300012547638	0	48	0.0	-76.90	385.78	8.36	-68.54
CC[NH+]1CCC(CNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012547639	0	47	0.0	-73.29	346.25	6.28	-67.01
CC[NH+]1CCC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012547640	0	49	0.0	-66.26	369.01	8.45	-57.81
CC[NH+]1CCC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012547641	0	45	0.0	-76.84	348.92	7.40	-69.44
CC[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012547642	0	52	0.0	-79.48	400.58	7.15	-72.33
CC[NH+]1CCC(CNC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])CC1	REAL300012547643	0	54	0.0	-85.35	400.48	9.59	-75.76
CC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])CC1	REAL300012547644	0	55	0.0	-81.73	423.38	8.08	-73.65
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012547645	0	57	0.0	-82.59	392.48	8.82	-73.77
CC[NH+]1CCC(CNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300012547646	0	54	0.0	-75.92	413.79	9.49	-66.43
CC[NH+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012547647	0	53	0.0	-80.72	407.71	9.28	-71.44
CC[NH+]1CCC(CNC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300012547648	0	52	0.0	-81.13	384.67	7.20	-73.93
CC[NH+]1CCC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012547649	0	55	0.0	-76.04	406.90	6.59	-69.45
C=C(Cl)CC(NC(=O)NCC1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012547650	0	45	0.0	-70.64	363.99	6.89	-63.75
CC[NH+]1CCC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012547651	0	49	0.0	-90.55	356.05	9.13	-81.42
CC[NH+]1CCC(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012547652	0	54	0.0	-76.52	403.48	9.04	-67.48
CC[NH+]1CCC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012547653	0	45	0.0	-75.07	348.06	7.53	-67.54
CC[NH+]1CCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012547654	0	45	0.0	-78.75	340.71	7.78	-70.97
CC[NH+]1CCC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012547655	0	55	0.0	-77.26	406.15	6.59	-70.67
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012547656	0	52	0.0	-77.60	380.02	5.61	-71.99
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547657	0	48	0.0	-75.91	371.04	7.86	-68.05
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300012547658	0	51	0.0	-75.13	410.15	8.91	-66.22
CC[NH+]1CCC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012547659	0	47	0.0	-72.91	379.64	5.95	-66.96
CC[NH+]1CCC(CNC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012547660	0	56	0.0	-74.38	417.58	8.61	-65.77
CC[NH+]1CCC(CNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012547661	0	54	0.0	-76.21	423.81	9.18	-67.03
CC[NH+]1CCC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012547662	0	52	0.0	-80.37	391.47	6.21	-74.16
CC[NH+]1CCC(CNC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012547663	0	45	0.0	-72.31	359.22	6.11	-66.20
CC[NH+]1CCC(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012547664	0	51	0.0	-74.25	400.36	8.85	-65.40
CCC(C)CC(NC(=O)NCC1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012547665	0	53	0.0	-75.12	392.58	7.71	-67.41
C=CCCCC(NC(=O)NCC1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012547666	0	51	0.0	-73.99	391.09	7.93	-66.06
CC[NH+]1CCC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012547667	0	51	0.0	-75.92	400.30	8.85	-67.07
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012547668	0	54	0.0	-79.77	411.46	10.02	-69.75
CC[NH+]1CCC(CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012547669	0	46	0.0	-85.02	345.98	8.95	-76.07
CC[NH+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547670	0	51	0.0	-77.36	379.46	8.61	-68.75
CC[NH+]1CCC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012547671	0	49	0.0	-88.88	355.83	9.17	-79.71
CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012547672	0	44	0.0	-69.91	348.06	8.08	-61.83
CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012547673	0	44	0.0	-69.91	348.06	8.08	-61.83
CC[NH+]1CCC(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012547674	0	57	0.0	-62.75	421.79	6.06	-56.69
CC[NH+]1CCC(CNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012547675	1	61	0.0	-62.71	446.97	5.93	-56.78
CC[NH+]1CCC(CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])CC1	REAL300012547676	0	52	0.0	-57.13	388.55	10.72	-46.41
CC[NH+]1CCC(CNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012547677	0	55	0.0	-63.02	398.66	10.92	-52.10
CC[NH+]1CCC(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012547678	0	53	0.0	-73.49	391.35	8.97	-64.52
CC[NH+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547679	0	48	0.0	-76.32	371.69	7.84	-68.48
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012547680	0	51	0.0	-71.95	410.38	8.83	-63.12
CC[NH+]1CCC(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012547681	0	53	0.0	-76.27	411.80	7.79	-68.48
CC[NH+]1CCC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012547682	0	47	0.0	-79.57	380.42	5.77	-73.80
CC[NH+]1CCC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012547683	0	48	0.0	-70.29	399.17	7.59	-62.70
CC[NH+]1CCC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012547684	0	48	0.0	-93.05	364.78	5.24	-87.81
CC[NH+]1CCC(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012547685	0	49	0.0	-77.11	362.31	6.97	-70.14
CC[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547686	0	48	0.0	-75.89	371.07	7.86	-68.03
CC[NH+]1CCC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012547687	0	51	0.0	-79.68	381.13	7.16	-72.52
CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012547688	0	51	0.0	-61.23	369.78	9.15	-52.08
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012547689	0	49	0.0	-85.00	367.17	3.66	-81.34
CC[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012547690	0	57	0.0	-76.32	418.20	7.10	-69.22
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012547691	0	51	0.0	-81.02	371.13	7.47	-73.55
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012547692	0	54	0.0	-81.21	381.04	8.23	-72.98
CC[NH+]1CCC(CNC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012547693	0	48	0.0	-74.31	369.19	4.83	-69.48
CC[NH+]1CCC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547694	0	54	0.0	-73.10	402.51	10.71	-62.39
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012547695	0	51	0.0	-80.96	372.84	8.17	-72.79
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)CC1	REAL300012547696	0	58	0.0	-81.46	420.47	10.21	-71.25
CC[NH+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012547697	0	57	0.0	-75.98	419.40	7.04	-68.94
CC[NH+]1CCC(CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012547698	0	56	0.0	-63.84	413.85	11.40	-52.44
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012547699	0	49	0.0	-76.37	362.28	4.80	-71.57
CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012547700	0	49	0.0	-86.14	355.96	8.78	-77.36
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012547701	0	52	0.0	-84.85	403.35	7.98	-76.87
CC[NH+]1CCC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012547702	0	47	0.0	-83.97	348.90	6.50	-77.47
CC[NH+]1CCC(CNC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012547703	0	51	0.0	-86.87	366.62	9.57	-77.30
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012547704	0	54	0.0	-77.16	410.68	9.19	-67.97
CC[NH+]1CCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012547705	0	55	0.0	-75.31	408.20	8.90	-66.41
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012547706	0	61	0.0	-79.72	428.89	8.61	-71.11
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012547707	0	54	0.0	-78.55	389.25	7.97	-70.58
CC[NH+]1CCC(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012547708	0	55	0.0	-76.15	407.75	7.48	-68.67
CC[NH+]1CCC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012547709	0	55	0.0	-57.95	381.85	9.49	-48.46
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012547710	0	55	0.0	-80.81	385.55	6.78	-74.03
CC[NH+]1CCC(CNC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012547711	0	54	0.0	-78.44	431.88	10.10	-68.34
CC[NH+]1CCC(CNC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC1	REAL300012547712	0	55	0.0	-92.62	399.63	11.30	-81.32
CC[NH+]1CCC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012547713	0	49	0.0	-60.18	357.05	8.70	-51.48
CC[NH+]1CCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012547714	0	55	0.0	-75.31	408.20	8.90	-66.41
CC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012547715	0	51	0.0	-77.45	400.12	8.91	-68.54
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300012547716	0	49	0.0	-83.59	370.10	5.44	-78.15
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012547717	0	45	0.0	-79.22	345.06	6.50	-72.72
CC[NH+]1CCC(CNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)CC1	REAL300012547718	0	49	0.0	-77.87	368.45	5.70	-72.17
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012547719	0	48	0.0	-78.67	375.66	7.53	-71.14
CC[NH+]1CCC(CNC(=O)N2CCCC2(CC)C(=O)[O-])CC1	REAL300012547720	0	51	0.0	-83.99	367.16	9.38	-74.61
CC[NH+]1CCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012547721	0	44	0.0	-68.58	351.21	6.54	-62.04
CC[NH+]1CCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012547722	0	52	0.0	-76.86	389.32	5.78	-71.08
CC[NH+]1CCC(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012547723	0	48	0.0	-76.06	385.82	7.82	-68.24
CC[NH+]1CCC(CNC(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012547724	0	55	0.0	-77.70	412.66	7.83	-69.87
CC[NH+]1CCC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012547725	0	49	0.0	-85.12	357.91	8.47	-76.65
CC[NH+]1CCC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012547726	0	54	0.0	-54.63	403.98	11.46	-43.17
CC[NH+]1CCC(CNC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300012547727	0	55	0.0	-77.97	433.12	8.35	-69.62
CC[NH+]1CCC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012547728	0	57	0.0	-75.46	415.89	8.97	-66.49
CC[NH+]1CCC(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547729	0	54	0.0	-75.79	416.94	9.55	-66.24
CC[NH+]1CCC(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547730	0	54	0.0	-75.53	416.92	9.56	-65.97
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012547731	0	55	0.0	-75.67	395.96	8.43	-67.24
CC[NH+]1CCC(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012547732	0	57	0.0	-76.59	415.62	9.05	-67.54
CC[NH+]1CCC(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012547733	0	57	0.0	-75.47	415.89	8.96	-66.51
CC[NH+]1CCC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012547734	0	55	0.0	-59.40	396.11	9.65	-49.75
CC[NH+]1CCC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012547735	0	55	0.0	-85.80	392.03	9.45	-76.35
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300012547736	0	55	0.0	-79.97	435.40	8.40	-71.57
CC[NH+]1CCC(CNC(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])CC1	REAL300012547737	0	55	0.0	-76.95	422.55	8.09	-68.86
C=CCSCC(NC(=O)NCC1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012547738	0	49	0.0	-72.27	393.49	7.57	-64.70
CC[NH+]1CCC(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012547739	0	52	0.0	-76.37	413.90	9.18	-67.19
CC[NH+]1CCC(CNC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300012547740	0	55	0.0	-91.50	433.34	8.83	-82.67
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2(OC)CCC2)CC1	REAL300012547741	0	52	0.0	-71.94	383.13	5.43	-66.51
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012547742	0	54	0.0	-77.92	396.65	8.77	-69.15
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012547743	0	55	0.0	-80.00	402.94	9.91	-70.09
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012547744	0	48	0.0	-82.71	368.87	7.27	-75.44
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300012547746	0	60	0.0	-77.17	447.90	10.15	-67.02
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300012547747	0	57	0.0	-75.57	431.27	9.79	-65.78
CC[NH+]1CCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012547748	0	45	0.0	-78.75	340.71	7.78	-70.97
CC[NH+]1CCC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012547749	0	47	0.0	-59.43	349.63	8.56	-50.87
CC[NH+]1CCC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012547750	0	51	0.0	-85.23	370.41	8.32	-76.91
CCOC1=CC=C(C(NC(=O)NCC2CC[NH+](CC)CC2)C(=O)[O-])C=C1	REAL300012547751	0	55	0.0	-75.97	422.99	8.04	-67.93
CC[NH+]1CCC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012547752	0	55	0.0	-86.43	390.90	10.38	-76.05
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012547753	0	55	0.0	-78.51	413.64	9.70	-68.81
CC[NH+]1CCC(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547754	0	55	0.0	-82.71	414.11	8.88	-73.83
CC[NH+]1CCC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012547755	0	51	0.0	-80.83	407.91	8.77	-72.06
CC[NH+]1CCC(CNC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300012547756	0	53	0.0	-74.57	396.08	7.83	-66.74
CC[NH+]1CCC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012547757	0	52	0.0	-59.57	381.17	9.18	-50.39
CC[NH+]1CCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012547758	0	52	0.0	-76.86	389.32	5.78	-71.08
CC[NH+]1CCC(CNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])CC1	REAL300012547759	0	49	0.0	-79.81	377.06	8.84	-70.97
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012547760	0	52	0.0	-80.35	373.58	8.35	-72.00
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012547761	0	49	0.0	-82.52	358.01	7.71	-74.81
CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012547762	0	52	0.0	-79.03	378.78	8.07	-70.96
CC[NH+]1CCC(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012547763	0	54	0.0	-73.10	402.51	10.71	-62.39
CC[NH+]1CCC(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012547764	0	58	0.0	-59.48	410.20	10.15	-49.33
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012547765	0	51	0.0	-77.04	371.67	7.35	-69.69
CC[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300012547766	0	48	0.0	-76.94	365.03	5.00	-71.94
CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012547767	0	51	0.0	-60.24	392.43	10.59	-49.65
CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300012547768	0	58	0.0	-76.77	445.84	11.23	-65.54
CC[NH+]1CCC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012547769	0	51	0.0	-57.80	376.50	8.42	-49.38
CC[NH+]1CCC(CNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012547770	0	52	0.0	-81.20	393.65	10.86	-70.34
CC[NH+]1CCC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012547771	0	48	0.0	-83.40	356.45	8.79	-74.61
CC[NH+]1CCC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012547772	0	45	0.0	-84.61	345.94	7.81	-76.80
CC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012547773	0	51	0.0	-77.45	400.12	8.91	-68.54
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CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1	REAL300012547837	1	57	0.0	-67.01	414.85	11.05	-55.96
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CCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547838	1	63	0.0	-64.70	467.89	11.58	-53.12
C[N@H+](CC1=CC=CC=C1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1CCCCC1	REAL300012547839	0	61	0.0	-77.47	440.80	12.48	-64.99
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1CCCCC1	REAL300012547839	1	61	0.0	-80.20	437.67	13.05	-67.15
COCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547840	0	58	0.0	-71.19	431.90	8.74	-62.45
COCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547840	1	58	0.0	-72.46	436.75	8.28	-64.18
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C1CC1	REAL300012547841	0	61	0.0	-63.95	439.27	12.26	-51.69
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C1CC1	REAL300012547841	1	61	0.0	-61.45	441.32	12.43	-49.02
COCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547842	0	61	0.0	-75.57	442.50	10.24	-65.33
COCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547842	1	61	0.0	-74.90	447.27	9.70	-65.20
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1	REAL300012547843	0	63	0.0	-56.70	451.42	13.60	-43.10
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1	REAL300012547843	1	63	0.0	-59.60	458.74	12.92	-46.68
C[N@H+](CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1)C1CCCCC1	REAL300012547844	0	58	0.0	-64.06	427.84	12.23	-51.83
C[N@@H+](CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1)C1CCCCC1	REAL300012547844	1	58	0.0	-66.11	426.24	12.12	-53.99
C[N@H+](CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC1)C1CCCCC1	REAL300012547845	0	59	0.0	-69.78	430.55	8.53	-61.25
C[N@@H+](CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC1)C1CCCCC1	REAL300012547845	1	59	0.0	-70.84	426.81	9.17	-61.67
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547846	0	61	0.0	-64.44	459.20	11.36	-53.08
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547846	1	61	0.0	-65.48	457.08	11.22	-54.26
C[N@H+](CC1=CC=CC=C1CNC(=O)NC(CF)C(=O)[O-])C1CCCCC1	REAL300012547847	0	54	0.0	-57.23	406.68	9.03	-48.20
C[N@@H+](CC1=CC=CC=C1CNC(=O)NC(CF)C(=O)[O-])C1CCCCC1	REAL300012547847	1	54	0.0	-55.35	403.29	9.64	-45.71
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1	REAL300012547848	0	57	0.0	-59.87	410.62	11.46	-48.41
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1	REAL300012547848	1	57	0.0	-67.01	414.85	11.05	-55.96
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547849	0	63	0.0	-64.24	439.49	11.81	-52.43
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547849	1	63	0.0	-63.62	445.42	11.30	-52.32
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1	REAL300012547850	0	63	0.0	-61.84	451.66	12.98	-48.86
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1	REAL300012547850	1	63	0.0	-59.46	453.55	13.19	-46.27
C[N@H+](CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-])C1CCCCC1	REAL300012547851	0	61	0.0	-64.67	457.00	11.47	-53.20
C[N@@H+](CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-])C1CCCCC1	REAL300012547851	1	61	0.0	-71.92	451.12	12.07	-59.85
COCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547852	0	61	0.0	-65.75	456.44	8.96	-56.79
COCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547852	1	61	0.0	-63.92	458.32	9.16	-54.76
C[N@H+](CC1=CC=CC=C1CNC(=O)NC(CC(F)F)C(=O)[O-])C1CCCCC1	REAL300012547853	0	57	0.0	-64.33	437.24	10.32	-54.01
C[N@@H+](CC1=CC=CC=C1CNC(=O)NC(CC(F)F)C(=O)[O-])C1CCCCC1	REAL300012547853	1	57	0.0	-65.48	435.12	10.18	-55.30
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(C)C(=O)[O-]	REAL300012547854	0	63	0.0	-65.33	452.57	12.43	-52.90
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(C)C(=O)[O-]	REAL300012547854	1	63	0.0	-74.87	457.54	13.40	-61.47
C[N@H+](CC1=CC=CC=C1CNC(=O)NC(CCF)C(=O)[O-])C1CCCCC1	REAL300012547855	0	57	0.0	-62.55	431.24	10.24	-52.31
C[N@@H+](CC1=CC=CC=C1CNC(=O)NC(CCF)C(=O)[O-])C1CCCCC1	REAL300012547855	1	57	0.0	-64.34	429.36	10.04	-54.30
C[N@H+](CC1=CC=CC=C1CNC(=O)NC(C)(CCF)C(=O)[O-])C1CCCCC1	REAL300012547856	0	60	0.0	-67.76	435.62	10.55	-57.21
C[N@@H+](CC1=CC=CC=C1CNC(=O)NC(C)(CCF)C(=O)[O-])C1CCCCC1	REAL300012547856	1	60	0.0	-68.17	430.83	11.10	-57.07
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1	REAL300012547857	0	57	0.0	-66.80	411.67	11.60	-55.20
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1	REAL300012547857	1	57	0.0	-67.00	414.99	11.11	-55.89
C[N@H+](CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1CCCCC1	REAL300012547858	0	59	0.0	-78.77	430.96	12.58	-66.19
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1CCCCC1	REAL300012547858	1	59	0.0	-82.29	417.63	12.17	-70.12
C[N@H+](CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1CCCCC1	REAL300012547859	0	63	0.0	-71.34	454.08	11.15	-60.19
C[N@@H+](CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1CCCCC1	REAL300012547859	1	63	0.0	-72.10	448.96	11.58	-60.52
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547860	0	61	0.0	-71.25	458.75	11.24	-60.01
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547860	1	61	0.0	-75.26	456.60	11.00	-64.26
C[N@H+](CC1=CC=CC=C1CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1CCCCC1	REAL300012547861	0	62	0.0	-81.70	445.75	13.37	-68.33
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1CCCCC1	REAL300012547861	1	62	0.0	-84.83	443.63	13.17	-71.66
C[N@H+](CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300012547862	0	58	0.0	-75.11	430.21	12.03	-63.08
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300012547862	1	58	0.0	-75.70	426.15	12.55	-63.15
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+](C)C2CCCCC2)C1	REAL300012547863	0	59	0.0	-76.97	437.94	11.99	-64.98
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+](C)C2CCCCC2)C1	REAL300012547863	1	59	0.0	-78.71	433.89	12.56	-66.15
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547864	0	63	0.0	-75.38	462.22	10.99	-64.39
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547864	1	63	0.0	-71.64	463.55	11.37	-60.27
C[N@H+](CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-])C1CCCCC1	REAL300012547865	0	61	0.0	-64.67	457.00	11.47	-53.20
C[N@@H+](CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-])C1CCCCC1	REAL300012547865	1	61	0.0	-71.92	451.12	12.07	-59.85
CSCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547866	0	58	0.0	-67.50	440.28	10.86	-56.64
CSCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547866	1	58	0.0	-67.10	447.69	10.48	-56.62
COC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547867	0	58	0.0	-71.16	431.88	8.74	-62.42
COC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547867	1	58	0.0	-72.18	436.27	8.26	-63.92
CC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547868	0	57	0.0	-71.59	419.62	10.46	-61.13
CC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547868	1	57	0.0	-71.04	424.89	10.05	-60.99
C[N@H+](CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012547869	0	58	0.0	-69.93	424.49	11.62	-58.31
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012547869	1	58	0.0	-72.04	418.14	12.06	-59.98
CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547870	0	60	0.0	-61.87	440.47	11.39	-50.48
CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547870	1	60	0.0	-63.85	446.15	10.87	-52.98
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547871	0	60	0.0	-61.52	435.39	11.18	-50.34
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547871	1	60	0.0	-64.91	437.01	10.37	-54.54
C[N@H+](CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1CCCCC1	REAL300012547872	0	62	0.0	-81.09	445.19	13.48	-67.61
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1CCCCC1	REAL300012547872	1	62	0.0	-83.85	441.99	14.11	-69.74
CCN(C(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(C)(C)C(=O)[O-]	REAL300012547873	0	63	0.0	-76.81	445.99	13.43	-63.38
CCN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(C)(C)C(=O)[O-]	REAL300012547873	1	63	0.0	-75.65	449.73	12.81	-62.84
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C[N@H+](CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-])C1CCCCC1	REAL300012547876	0	58	0.0	-76.89	423.64	11.96	-64.93
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-])C1CCCCC1	REAL300012547876	1	58	0.0	-78.01	419.65	12.47	-65.54
C[N@H+](CC1=CC=CC=C1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012547877	0	59	0.0	-71.27	435.71	8.25	-63.02
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012547877	1	59	0.0	-74.88	432.68	8.75	-66.13
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547878	0	60	0.0	-59.87	435.43	11.28	-48.59
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547878	1	60	0.0	-63.90	446.14	10.86	-53.04
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547879	0	61	0.0	-64.44	459.20	11.36	-53.08
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C[N@H+](CC1=CC=CC=C1CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1CCCCC1	REAL300012547880	0	61	0.0	-68.71	440.78	12.48	-56.23
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1CCCCC1	REAL300012547880	1	61	0.0	-70.06	433.72	12.97	-57.09
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547881	0	60	0.0	-70.82	433.21	10.83	-59.99
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547881	1	60	0.0	-71.26	437.59	10.36	-60.90
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1	REAL300012547882	0	57	0.0	-66.80	411.67	11.60	-55.20
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1	REAL300012547882	1	57	0.0	-67.00	414.99	11.11	-55.89
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547883	0	60	0.0	-71.11	439.96	11.21	-59.90
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547883	1	60	0.0	-70.56	445.56	10.82	-59.74
CCN(C(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(C)C(=O)[O-]	REAL300012547884	0	60	0.0	-68.02	426.69	12.27	-55.75
CCN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(C)C(=O)[O-]	REAL300012547884	1	60	0.0	-68.76	433.74	11.98	-56.78
CC(CN(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547885	0	60	0.0	-71.32	426.08	11.85	-59.47
CC(CN(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547885	1	60	0.0	-69.35	436.12	11.54	-57.81
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547886	0	63	0.0	-70.51	450.09	11.45	-59.06
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547886	1	63	0.0	-71.92	456.14	10.99	-60.93
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1	REAL300012547887	0	60	0.0	-71.61	433.42	11.82	-59.79
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1	REAL300012547887	1	60	0.0	-68.26	435.33	12.03	-56.23
COCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547888	0	61	0.0	-65.75	456.44	8.96	-56.79
COCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547888	1	61	0.0	-63.92	458.32	9.16	-54.76
C[N@H+](CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1CCCCC1	REAL300012547889	0	61	0.0	-66.67	448.51	11.39	-55.28
C[N@@H+](CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1CCCCC1	REAL300012547889	1	61	0.0	-67.40	444.45	11.18	-56.22
C[N@H+](CC1=CC=CC=C1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012547890	0	59	0.0	-75.19	434.39	8.42	-66.77
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012547890	1	59	0.0	-75.48	425.04	8.77	-66.71
C[N@H+](CC1=CC=CC=C1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1CCCCC1	REAL300012547891	0	62	0.0	-80.85	445.42	13.09	-67.76
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1CCCCC1	REAL300012547891	1	62	0.0	-85.03	441.42	13.64	-71.39
C[N@H+](CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1)C1CCCCC1	REAL300012547892	0	61	0.0	-65.29	445.03	10.92	-54.37
C[N@@H+](CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1)C1CCCCC1	REAL300012547892	1	61	0.0	-66.21	442.67	10.79	-55.42
C[N@H+](CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1)C1CCCCC1	REAL300012547893	0	61	0.0	-65.29	445.03	10.92	-54.37
C[N@@H+](CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1)C1CCCCC1	REAL300012547893	1	61	0.0	-66.21	442.67	10.79	-55.42
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@H+](C)C2CCCCC2)C1C(=O)[O-]	REAL300012547894	0	61	0.0	-72.75	433.87	12.53	-60.22
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@@H+](C)C2CCCCC2)C1C(=O)[O-]	REAL300012547894	1	61	0.0	-70.31	439.89	12.09	-58.22
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547895	0	58	0.0	-70.52	438.21	10.49	-60.03
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547895	1	58	0.0	-70.92	434.27	11.02	-59.90
C[N@H+](CC1=CC=CC=C1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1CCCCC1	REAL300012547896	0	62	0.0	-41.06	442.01	12.84	-28.22
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1CCCCC1	REAL300012547896	1	62	0.0	-43.54	439.65	12.48	-31.06
C[N@H+](CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])COC1)C1CCCCC1	REAL300012547897	0	56	0.0	-63.26	416.91	7.77	-55.49
C[N@@H+](CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])COC1)C1CCCCC1	REAL300012547897	1	56	0.0	-64.61	412.73	8.31	-56.30
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547898	0	63	0.0	-63.92	438.03	11.55	-52.37
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547898	1	63	0.0	-63.54	445.77	11.10	-52.44
C[N@H+](CC1=CC=CC=C1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012547899	0	59	0.0	-76.39	431.03	13.14	-63.25
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012547899	1	59	0.0	-80.16	428.49	12.88	-67.28
C[N@H+](CC1=CC=CC=C1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012547900	0	62	0.0	-70.97	446.97	12.71	-58.26
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1CCCCC1	REAL300012547900	1	62	0.0	-74.77	443.70	13.21	-61.56
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1	REAL300012547901	0	63	0.0	-59.35	444.69	13.35	-46.00
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1	REAL300012547901	1	63	0.0	-61.26	449.61	12.85	-48.41
C[N@H+](CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300012547902	0	58	0.0	-75.11	430.21	12.03	-63.08
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300012547902	1	58	0.0	-75.70	426.15	12.55	-63.15
C[N@H+](CC1=CC=CC=C1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1CCCCC1	REAL300012547903	0	60	0.0	-57.65	439.77	12.76	-44.89
C[N@@H+](CC1=CC=CC=C1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1CCCCC1	REAL300012547903	1	60	0.0	-53.29	435.23	13.31	-39.98
C[N@H+](CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1CCCCC1	REAL300012547904	0	62	0.0	-77.25	447.37	11.98	-65.27
C[N@@H+](CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1CCCCC1	REAL300012547904	1	62	0.0	-79.53	439.79	12.36	-67.17
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547905	0	61	0.0	-72.76	449.08	9.75	-63.01
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547905	1	61	0.0	-72.46	454.90	9.28	-63.18
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547906	0	61	0.0	-73.02	444.62	12.37	-60.65
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547906	1	61	0.0	-71.09	447.90	11.78	-59.31
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1	REAL300012547907	0	63	0.0	-71.92	454.93	12.60	-59.32
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1	REAL300012547907	1	63	0.0	-68.57	456.82	12.81	-55.76
CCOCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547908	0	61	0.0	-71.68	453.75	9.72	-61.96
CCOCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300012547908	1	61	0.0	-72.59	458.12	9.24	-63.35
C[N@H+](CC1=CC=CC=C1CNC(=O)NC(CCC#N)C(=O)[O-])C1CCCCC1	REAL300012547909	0	58	0.0	-64.49	445.50	10.60	-53.89
C[N@@H+](CC1=CC=CC=C1CNC(=O)NC(CCC#N)C(=O)[O-])C1CCCCC1	REAL300012547909	1	58	0.0	-62.21	439.83	11.12	-51.09
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1	REAL300012547910	0	57	0.0	-59.87	410.62	11.46	-48.41
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1	REAL300012547910	1	57	0.0	-61.33	414.85	10.94	-50.39
CC(C)C[C@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547911	0	57	0.0	-69.60	426.02	10.24	-59.36
CC(C)C[C@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547911	1	57	0.0	-67.93	421.62	9.47	-58.46
C=CCOCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547912	0	56	0.0	-70.82	434.17	8.66	-62.16
C=CCOCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547912	1	56	0.0	-69.12	434.11	8.70	-60.42
C=CC(C)C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547913	0	55	0.0	-65.97	409.94	9.36	-56.61
C=CC(C)C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547913	1	55	0.0	-65.40	416.32	10.00	-55.40
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300012547914	0	59	0.0	-69.12	428.41	8.26	-60.86
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300012547914	1	59	0.0	-73.45	431.98	8.70	-64.75
COC1CCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012547915	0	59	0.0	-77.98	419.11	10.50	-67.48
COC1CCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012547915	1	59	0.0	-79.54	423.87	10.51	-69.03
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCCOC1	REAL300012547916	0	59	0.0	-64.74	422.30	8.10	-56.64
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCCOC1	REAL300012547916	1	59	0.0	-68.51	435.49	9.00	-59.51
CC1CCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012547917	0	58	0.0	-75.51	408.84	11.72	-63.79
CC1CCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012547917	1	58	0.0	-77.46	418.58	12.74	-64.72
CCCN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547918	0	54	0.0	-51.09	397.84	10.77	-40.32
CCCN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547918	1	54	0.0	-52.31	397.12	10.51	-41.80
CC(C(=O)[O-])N(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCC1	REAL300012547919	0	58	0.0	-42.60	409.88	11.96	-30.64
CC(C(=O)[O-])N(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCC1	REAL300012547919	1	58	0.0	-58.41	418.96	11.73	-46.68
CCCN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(COC)C(=O)[O-]	REAL300012547920	0	61	0.0	-69.87	440.70	11.70	-58.17
CCCN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(COC)C(=O)[O-]	REAL300012547920	1	61	0.0	-66.74	434.48	10.41	-56.33
CCCN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012547921	0	60	0.0	-64.35	423.42	11.64	-52.71
CCCN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012547921	1	60	0.0	-65.51	422.75	11.58	-53.93
CC(C)C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547922	0	54	0.0	-66.72	389.54	8.51	-58.21
CC(C)C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547922	1	54	0.0	-70.01	399.60	9.23	-60.78
O=C([O-])C1CCCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547923	0	55	0.0	-75.30	388.01	11.13	-64.17
O=C([O-])C1CCCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547923	1	55	0.0	-76.12	397.05	11.79	-64.33
O=C([O-])C1CSCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547924	0	53	0.0	-75.68	393.09	11.28	-64.40
O=C([O-])C1CSCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547924	1	53	0.0	-76.17	392.93	11.11	-65.06
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCCCC1	REAL300012547925	0	58	0.0	-71.34	412.96	10.41	-60.93
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCCCC1	REAL300012547925	1	58	0.0	-74.35	412.82	10.40	-63.95
O=C([O-])C1CCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547926	0	52	0.0	-73.83	377.15	10.12	-63.71
O=C([O-])C1CCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547926	1	52	0.0	-72.83	381.68	10.07	-62.76
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCCC1	REAL300012547927	0	55	0.0	-74.70	397.92	9.27	-65.43
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCCC1	REAL300012547927	1	55	0.0	-74.28	398.31	9.29	-64.99
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCCCCC1	REAL300012547928	0	61	0.0	-74.36	422.74	10.91	-63.45
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCCCCC1	REAL300012547928	1	61	0.0	-75.24	418.46	11.07	-64.17
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547929	0	58	0.0	-67.80	436.60	11.28	-56.52
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547929	1	58	0.0	-69.53	445.86	11.92	-57.61
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547930	0	58	0.0	-50.70	435.34	13.02	-37.68
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547930	1	58	0.0	-53.47	442.57	13.63	-39.84
O=C([O-])CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547931	0	45	0.0	-60.02	344.94	7.02	-53.00
O=C([O-])CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547931	1	45	0.0	-60.07	344.88	7.04	-53.03
O=C([O-])[C@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012547932	0	55	0.0	-68.93	423.68	10.95	-57.98
O=C([O-])[C@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012547932	1	55	0.0	-69.78	423.43	11.05	-58.73
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012547933	0	55	0.0	-70.80	418.56	10.26	-60.54
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012547933	1	55	0.0	-70.14	423.67	10.98	-59.16
CCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547934	0	51	0.0	-66.15	378.17	8.27	-57.88
CCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547934	1	51	0.0	-69.22	387.26	8.95	-60.27
CC(C)C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547935	0	54	0.0	-66.72	389.54	8.51	-58.21
CC(C)C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547935	1	54	0.0	-70.01	399.60	9.23	-60.78
CN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547936	0	48	0.0	-66.79	363.57	9.70	-57.09
CN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547936	1	48	0.0	-69.04	363.61	9.73	-59.31
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547937	0	58	0.0	-67.80	436.60	11.28	-56.52
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547937	1	58	0.0	-69.53	445.86	11.92	-57.61
CC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547938	0	48	0.0	-58.03	356.58	7.19	-50.84
CC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547938	1	48	0.0	-60.19	365.50	7.91	-52.28
CCC(C)C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547939	0	57	0.0	-66.64	410.61	9.37	-57.27
CCC(C)C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547939	1	57	0.0	-69.35	420.61	10.14	-59.21
CN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547940	0	48	0.0	-66.79	363.57	9.70	-57.09
CN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547940	1	48	0.0	-69.04	363.61	9.73	-59.31
O=C([O-])C1CCCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547941	0	55	0.0	-75.30	388.01	11.13	-64.17
O=C([O-])C1CCCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547941	1	55	0.0	-76.12	397.05	11.79	-64.33
CCCC(C)(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547942	0	57	0.0	-68.90	413.19	10.00	-58.90
CCCC(C)(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547942	1	57	0.0	-68.83	413.13	10.04	-58.79
CC(C)N(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547943	0	54	0.0	-51.63	388.24	10.42	-41.21
CC(C)N(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547943	1	54	0.0	-65.92	395.34	11.40	-54.52
O=C([O-])CN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300012547944	0	52	0.0	-56.34	384.66	10.43	-45.91
O=C([O-])CN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300012547944	1	52	0.0	-52.04	384.71	10.43	-41.61
C=CCN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547945	0	52	0.0	-52.50	393.33	11.02	-41.48
C=CCN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547945	1	52	0.0	-53.28	396.39	11.18	-42.10
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547946	0	57	0.0	-50.50	412.25	11.08	-39.42
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547946	1	57	0.0	-52.82	419.49	11.68	-41.14
CC(C)(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547947	0	51	0.0	-56.75	369.16	7.58	-49.17
CC(C)(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547947	1	51	0.0	-59.31	378.24	8.27	-51.04
CC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)(C(=O)[O-])C1CC1	REAL300012547948	0	55	0.0	-67.35	392.06	9.32	-58.03
CC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)(C(=O)[O-])C1CC1	REAL300012547948	1	55	0.0	-70.43	401.12	9.99	-60.44
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CS1	REAL300012547949	0	52	0.0	-69.77	410.79	9.32	-60.45
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CS1	REAL300012547949	1	52	0.0	-66.98	410.71	9.32	-57.66
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCCCC1	REAL300012547950	0	58	0.0	-71.34	412.96	10.41	-60.93
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCCCC1	REAL300012547950	1	58	0.0	-74.35	412.82	10.40	-63.95
CC(C)N(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547951	0	54	0.0	-51.63	388.24	10.42	-41.21
CC(C)N(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547951	1	54	0.0	-65.92	395.34	11.40	-54.52
CCCN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547952	0	54	0.0	-51.09	397.84	10.77	-40.32
CCCN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547952	1	54	0.0	-52.31	397.12	10.51	-41.80
CCN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547953	0	51	0.0	-66.36	376.34	10.01	-56.35
CCN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547953	1	51	0.0	-70.42	380.85	9.96	-60.46
CC[C@H](C)[C@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547954	0	57	0.0	-67.30	407.99	9.14	-58.16
CC[C@H](C)[C@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547954	1	57	0.0	-66.49	416.97	9.80	-56.69
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCCC1	REAL300012547955	0	55	0.0	-74.70	397.92	9.27	-65.43
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCCC1	REAL300012547955	1	55	0.0	-74.28	398.31	9.29	-64.99
CCC(C)(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547956	0	54	0.0	-67.05	382.55	8.57	-58.48
CCC(C)(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547956	1	54	0.0	-69.56	387.04	8.53	-61.03
CC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012547957	0	58	0.0	-70.33	431.54	11.75	-58.58
CC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012547957	1	58	0.0	-70.38	431.44	11.72	-58.66
C[C@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547958	0	48	0.0	-58.22	356.42	7.21	-51.01
C[C@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547958	1	48	0.0	-60.44	365.67	7.87	-52.57
CCN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547959	0	51	0.0	-66.36	376.34	10.01	-56.35
CCN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547959	1	51	0.0	-70.42	380.85	9.96	-60.46
C[C@@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547960	0	48	0.0	-58.03	356.58	7.19	-50.84
C[C@@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547960	1	48	0.0	-61.29	365.95	7.82	-53.47
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300012547961	0	49	0.0	-72.35	367.36	8.37	-63.98
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300012547961	1	49	0.0	-75.39	367.61	8.38	-67.01
O=C([O-])C1COCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547962	0	53	0.0	-73.04	388.10	9.37	-63.67
O=C([O-])C1COCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547962	1	53	0.0	-76.09	384.53	8.72	-67.37
CN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1(C(=O)[O-])CCCCC1	REAL300012547963	0	61	0.0	-71.24	426.27	12.42	-58.82
CN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1(C(=O)[O-])CCCCC1	REAL300012547963	1	61	0.0	-75.66	426.15	12.43	-63.23
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300012547964	0	52	0.0	-68.07	388.17	8.75	-59.32
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300012547964	1	52	0.0	-66.01	394.31	9.33	-56.68
CN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012547965	0	58	0.0	-66.79	430.45	12.52	-54.27
CN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012547965	1	58	0.0	-68.61	426.50	11.79	-56.82
COCCN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547966	0	55	0.0	-51.39	407.72	9.20	-42.19
COCCN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547966	1	55	0.0	-54.36	414.96	9.81	-44.55
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547967	0	52	0.0	-74.36	388.46	10.37	-63.99
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547967	1	52	0.0	-75.84	387.03	10.47	-65.37
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547968	0	55	0.0	-74.69	396.97	11.75	-62.94
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547968	1	55	0.0	-75.51	388.04	11.10	-64.41
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547969	0	51	0.0	-64.29	378.47	9.93	-54.36
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547969	1	51	0.0	-66.78	373.95	9.22	-57.56
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547970	0	52	0.0	-77.26	383.00	9.80	-67.46
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547970	1	52	0.0	-74.01	382.08	10.10	-63.91
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCC1	REAL300012547971	0	52	0.0	-70.48	388.58	9.61	-60.87
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCC1	REAL300012547971	1	52	0.0	-75.08	384.43	8.90	-66.18
C=CCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547972	0	52	0.0	-65.80	391.45	8.72	-57.08
C=CCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547972	1	52	0.0	-69.95	395.94	8.68	-61.27
CC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547973	0	55	0.0	-73.98	394.28	10.65	-63.33
CC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547973	1	55	0.0	-74.14	394.32	10.67	-63.47
O=C([O-])C1CCCCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547974	0	58	0.0	-75.44	402.94	12.07	-63.37
O=C([O-])C1CCCCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547974	1	58	0.0	-77.47	406.16	11.60	-65.87
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300012547975	0	52	0.0	-68.07	388.17	8.75	-59.32
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300012547975	1	52	0.0	-66.01	394.31	9.33	-56.68
CC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547976	0	51	0.0	-64.30	378.47	9.93	-54.37
CC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547976	1	51	0.0	-65.02	377.45	9.90	-55.12
CCCCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547977	0	57	0.0	-66.02	421.17	9.81	-56.21
CCCCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547977	1	57	0.0	-66.87	425.66	9.77	-57.10
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547978	0	55	0.0	-74.87	403.28	11.32	-63.55
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547978	1	55	0.0	-72.46	398.78	10.62	-61.84
O=C([O-])CN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012547979	0	58	0.0	-50.24	412.69	11.59	-38.65
O=C([O-])CN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012547979	1	58	0.0	-52.15	419.91	12.18	-39.97
COCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547980	0	52	0.0	-67.44	390.13	6.49	-60.95
COCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547980	1	52	0.0	-68.08	394.27	6.39	-61.69
CCCCCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547981	0	60	0.0	-69.70	452.05	11.21	-58.49
CCCCCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547981	1	60	0.0	-67.43	447.40	10.49	-56.94
O=C([O-])CN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300012547982	0	59	0.0	-50.88	421.16	9.92	-40.96
O=C([O-])CN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300012547982	1	59	0.0	-52.68	428.36	10.52	-42.16
CN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1(C(=O)[O-])CCCC1	REAL300012547983	0	58	0.0	-76.52	408.76	10.96	-65.56
CN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1(C(=O)[O-])CCCC1	REAL300012547983	1	58	0.0	-72.83	412.95	11.66	-61.17
CC(C(=O)[O-])N(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300012547984	0	55	0.0	-54.91	400.02	10.70	-44.21
CC(C(=O)[O-])N(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300012547984	1	55	0.0	-59.54	404.89	11.38	-48.16
CCC(C(=O)[O-])N(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300012547985	0	58	0.0	-61.66	419.82	11.66	-50.00
CCC(C(=O)[O-])N(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300012547985	1	58	0.0	-58.80	420.05	11.60	-47.20
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1F	REAL300012547986	0	55	0.0	-76.20	422.82	10.34	-65.86
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1F	REAL300012547986	1	55	0.0	-73.41	427.27	11.04	-62.37
CC1=CC=C(C(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012547987	0	58	0.0	-68.27	435.93	10.97	-57.30
CC1=CC=C(C(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012547987	1	58	0.0	-69.02	445.03	11.66	-57.36
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547988	0	51	0.0	-61.13	394.34	8.90	-52.23
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547988	1	51	0.0	-63.94	403.43	9.60	-54.34
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCSCC1	REAL300012547989	0	56	0.0	-66.77	410.22	10.07	-56.70
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCSCC1	REAL300012547989	1	56	0.0	-69.67	414.65	10.72	-58.95
COCC(C)(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547990	0	55	0.0	-73.07	409.94	8.54	-64.53
COCC(C)(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547990	1	55	0.0	-74.02	405.29	7.82	-66.20
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547991	0	58	0.0	-67.58	429.55	10.34	-57.24
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547991	1	58	0.0	-67.33	429.48	10.21	-57.12
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547992	0	57	0.0	-50.50	412.25	11.08	-39.42
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547992	1	57	0.0	-52.82	419.49	11.68	-41.14
O=C([O-])CN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300012547993	0	52	0.0	-56.34	384.66	10.43	-45.91
O=C([O-])CN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300012547993	1	52	0.0	-52.04	384.71	10.43	-41.61
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCOC1	REAL300012547994	0	53	0.0	-67.96	393.14	7.35	-60.61
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCOC1	REAL300012547994	1	53	0.0	-68.56	393.06	7.41	-61.15
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCCCC1	REAL300012547995	0	61	0.0	-70.07	438.83	10.58	-59.49
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCCCC1	REAL300012547995	1	61	0.0	-70.86	440.57	11.17	-59.69
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCOCC1	REAL300012547996	0	56	0.0	-69.79	403.96	7.88	-61.91
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCOCC1	REAL300012547996	1	56	0.0	-72.93	408.39	8.59	-64.34
C=CCCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547997	0	55	0.0	-65.91	412.48	9.59	-56.32
C=CCCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012547997	1	55	0.0	-69.19	421.56	10.28	-58.91
O=C([O-])C(CF)NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547998	0	48	0.0	-55.56	360.20	7.20	-48.36
O=C([O-])C(CF)NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547998	1	48	0.0	-57.95	364.51	7.17	-50.78
CC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012547999	0	51	0.0	-64.30	378.47	9.93	-54.37
CC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012547999	1	51	0.0	-65.02	377.45	9.90	-55.12
CCC(CC)(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548000	0	57	0.0	-69.97	408.35	10.14	-59.83
CCC(CC)(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548000	1	57	0.0	-70.07	408.01	10.16	-59.91
CCC(C)N(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548001	0	57	0.0	-53.86	418.61	12.21	-41.65
CCC(C)N(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548001	1	57	0.0	-45.81	407.65	11.46	-34.35
CCC(COC)(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548002	0	58	0.0	-71.47	417.23	8.78	-62.69
CCC(COC)(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548002	1	58	0.0	-71.95	426.55	9.46	-62.49
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548003	0	61	0.0	-67.77	449.79	11.00	-56.77
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548003	1	61	0.0	-67.21	450.08	11.04	-56.17
O=C([O-])C(CC1CC1)NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548004	0	55	0.0	-66.67	410.53	9.64	-57.03
O=C([O-])C(CC1CC1)NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548004	1	55	0.0	-70.55	414.52	9.71	-60.84
COCCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548005	0	55	0.0	-66.42	411.84	7.33	-59.09
COCCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548005	1	55	0.0	-70.20	421.17	7.94	-62.26
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548006	0	60	0.0	-65.97	437.62	12.29	-53.68
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548006	1	60	0.0	-66.46	436.71	12.35	-54.11
O=C([O-])C(CC(F)F)NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548007	0	51	0.0	-61.15	388.79	8.79	-52.36
O=C([O-])C(CC(F)F)NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548007	1	51	0.0	-67.57	395.25	8.46	-59.11
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548008	0	61	0.0	-75.29	431.61	12.57	-62.72
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548008	1	61	0.0	-76.73	433.65	12.61	-64.12
CCCN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012548009	0	57	0.0	-47.98	415.38	12.21	-35.77
CCCN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012548009	1	57	0.0	-64.61	407.87	10.84	-53.77
O=C([O-])C(CCF)NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548010	0	51	0.0	-65.81	385.00	8.35	-57.46
O=C([O-])C(CCF)NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548010	1	51	0.0	-68.72	393.85	9.09	-59.63
O=C([O-])CN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300012548011	0	59	0.0	-50.88	421.16	9.92	-40.96
O=C([O-])CN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300012548011	1	59	0.0	-52.68	428.36	10.52	-42.16
O=C([O-])CN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCCCC1	REAL300012548012	0	61	0.0	-50.57	430.07	12.29	-38.28
O=C([O-])CN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCCCC1	REAL300012548012	1	61	0.0	-52.15	434.57	12.24	-39.91
C[C@H]1CC[C@@](NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)(C(=O)[O-])CC1	REAL300012548013	0	61	0.0	-74.59	426.75	10.79	-63.80
C[C@H]1CC[C@@](NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)(C(=O)[O-])CC1	REAL300012548013	1	61	0.0	-74.00	426.22	10.75	-63.25
CC(CCF)(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548014	0	54	0.0	-62.81	389.14	8.71	-54.10
CC(CCF)(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548014	1	54	0.0	-66.02	398.22	9.42	-56.60
O=C([O-])C1C2=C(CCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)OC=C2	REAL300012548015	0	56	0.0	-58.40	420.52	11.41	-46.99
O=C([O-])C1C2=C(CCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)OC=C2	REAL300012548015	1	56	0.0	-57.92	421.28	11.57	-46.35
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548016	0	52	0.0	-67.14	390.92	9.96	-57.18
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548016	1	52	0.0	-68.39	390.85	9.97	-58.42
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548017	0	51	0.0	-66.12	377.40	9.87	-56.25
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548017	1	51	0.0	-64.91	377.59	9.96	-54.95
O=C([O-])C12CC(C1)CN2C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548018	0	53	0.0	-79.63	384.75	10.73	-68.90
O=C([O-])C12CC(C1)CN2C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548018	1	53	0.0	-79.43	393.98	11.40	-68.03
COC1CN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C(C)(C(=O)[O-])C1	REAL300012548019	0	59	0.0	-69.79	427.08	9.70	-60.09
COC1CN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C(C)(C(=O)[O-])C1	REAL300012548019	1	59	0.0	-76.74	432.01	9.59	-67.15
CC(C)(C)[C@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548020	0	57	0.0	-71.01	418.37	9.99	-61.02
CC(C)(C)[C@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548020	1	57	0.0	-68.94	418.29	10.01	-58.93
C=C(Cl)CC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548021	0	52	0.0	-61.61	406.64	9.39	-52.22
C=C(Cl)CC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548021	1	52	0.0	-68.60	416.76	9.96	-58.64
C=C(C)CC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548022	0	55	0.0	-67.46	411.56	9.51	-57.95
C=C(C)CC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548022	1	55	0.0	-67.81	421.34	10.10	-57.71
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548023	0	56	0.0	-79.72	397.25	11.59	-68.13
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548023	1	56	0.0	-79.69	406.05	12.24	-67.45
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548024	0	52	0.0	-69.80	400.11	10.66	-59.14
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548024	1	52	0.0	-67.25	399.25	10.96	-56.29
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548025	0	52	0.0	-75.03	388.66	10.18	-64.85
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548025	1	52	0.0	-70.63	393.38	10.55	-60.08
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300012548026	0	53	0.0	-75.06	400.42	10.86	-64.20
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300012548026	1	53	0.0	-73.24	395.92	10.12	-63.12
CC(C)C[C@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548027	0	57	0.0	-69.60	426.02	10.24	-59.36
CC(C)C[C@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548027	1	57	0.0	-67.93	421.62	9.47	-58.46
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300012548028	0	59	0.0	-69.12	428.41	8.26	-60.86
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300012548028	1	59	0.0	-73.45	431.98	8.70	-64.75
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012548029	0	55	0.0	-70.80	418.56	10.26	-60.54
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012548029	1	55	0.0	-70.14	423.67	10.98	-59.16
O=C([O-])C(CC1CC1)NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548030	0	55	0.0	-66.67	410.53	9.64	-57.03
O=C([O-])C(CC1CC1)NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548030	1	55	0.0	-70.55	414.52	9.71	-60.84
CC(C)CCCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548031	0	63	0.0	-66.06	460.23	11.11	-54.95
CC(C)CCCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548031	1	63	0.0	-67.41	464.97	11.02	-56.39
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548032	0	59	0.0	-67.96	440.94	9.79	-58.17
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548032	1	59	0.0	-73.14	443.42	9.32	-63.82
CSCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548033	0	52	0.0	-63.31	401.87	8.62	-54.69
CSCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548033	1	52	0.0	-64.13	405.70	8.61	-55.52
COC[C@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548034	0	52	0.0	-68.91	390.27	6.45	-62.46
COC[C@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548034	1	52	0.0	-68.15	394.28	6.39	-61.76
CC[C@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548035	0	51	0.0	-67.12	377.58	8.22	-58.90
CC[C@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548035	1	51	0.0	-66.70	382.07	8.18	-58.52
CCC(C)CC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548036	0	60	0.0	-66.65	435.23	10.23	-56.42
CCC(C)CC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548036	1	60	0.0	-68.14	444.43	10.86	-57.28
C=CCCCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548037	0	58	0.0	-69.13	443.37	10.98	-58.15
C=CCCCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548037	1	58	0.0	-66.44	438.47	10.34	-56.10
O=C([O-])C1CSCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548038	0	53	0.0	-75.68	393.09	11.28	-64.40
O=C([O-])C1CSCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548038	1	53	0.0	-76.17	392.93	11.11	-65.06
CC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012548039	0	58	0.0	-70.33	431.54	11.75	-58.58
CC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012548039	1	58	0.0	-70.38	431.44	11.72	-58.66
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548040	0	52	0.0	-74.36	388.46	10.37	-63.99
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548040	1	52	0.0	-75.84	387.03	10.47	-65.37
CCCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548041	0	54	0.0	-66.70	399.91	8.98	-57.72
CCCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548041	1	54	0.0	-69.24	408.75	9.71	-59.53
CC(C)[C@@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548042	0	54	0.0	-65.68	393.53	8.81	-56.87
CC(C)[C@@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548042	1	54	0.0	-70.01	399.60	9.23	-60.78
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548043	0	56	0.0	-81.11	403.27	11.60	-69.51
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548043	1	56	0.0	-79.62	408.04	12.36	-67.26
CCN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012548044	0	57	0.0	-72.26	408.99	11.53	-60.73
CCN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012548044	1	57	0.0	-72.75	407.53	10.87	-61.88
CCCN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012548045	0	57	0.0	-47.98	415.38	12.21	-35.77
CCCN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012548045	1	57	0.0	-64.61	407.87	10.84	-53.77
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548046	0	51	0.0	-62.09	390.95	10.52	-51.57
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548046	1	51	0.0	-65.42	397.45	10.52	-54.90
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548047	0	51	0.0	-62.09	390.95	10.52	-51.57
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548047	1	51	0.0	-65.42	397.45	10.52	-54.90
CN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012548048	0	54	0.0	-68.88	392.73	10.76	-58.12
CN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012548048	1	54	0.0	-71.55	392.74	10.70	-60.85
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548049	0	52	0.0	-77.26	383.00	9.80	-67.46
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548049	1	52	0.0	-74.01	382.08	10.10	-63.91
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548050	0	53	0.0	-75.28	393.87	6.35	-68.93
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548050	1	53	0.0	-77.75	398.20	7.07	-70.68
CCC[C@@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548051	0	54	0.0	-66.71	399.91	8.98	-57.73
CCC[C@@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548051	1	54	0.0	-69.24	408.75	9.71	-59.53
O=C([O-])[C@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012548052	0	55	0.0	-68.93	423.68	10.95	-57.98
O=C([O-])[C@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012548052	1	55	0.0	-69.78	423.43	11.05	-58.73
C=CCCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548053	0	55	0.0	-65.91	412.48	9.59	-56.32
C=CCCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548053	1	55	0.0	-69.19	421.56	10.28	-58.91
CN1CC(C(=O)[O-])N(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CC1=O	REAL300012548054	0	56	0.0	-66.96	413.54	9.79	-57.17
CN1CC(C(=O)[O-])N(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CC1=O	REAL300012548054	1	56	0.0	-69.52	414.50	10.17	-59.35
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548055	0	55	0.0	-72.21	394.27	10.67	-61.54
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548055	1	55	0.0	-74.06	394.29	10.67	-63.39
CC(C)[C@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548056	0	54	0.0	-68.19	391.10	8.53	-59.66
CC(C)[C@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548056	1	54	0.0	-66.99	391.15	8.53	-58.46
O=C([O-])[C@@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012548057	0	55	0.0	-67.54	413.95	10.30	-57.24
O=C([O-])[C@@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012548057	1	55	0.0	-68.06	423.03	10.98	-57.08
CC(CN1C=CC=N1)(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548058	0	58	0.0	-70.40	433.24	9.58	-60.82
CC(CN1C=CC=N1)(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548058	1	58	0.0	-71.96	433.11	10.32	-61.64
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548059	0	51	0.0	-66.12	377.40	9.87	-56.25
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548059	1	51	0.0	-64.91	377.59	9.96	-54.95
CCC[C@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548060	0	54	0.0	-67.14	399.08	8.99	-58.15
CCC[C@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548060	1	54	0.0	-67.57	404.41	8.94	-58.63
CCN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012548061	0	54	0.0	-67.31	389.20	10.72	-56.59
CCN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012548061	1	54	0.0	-64.40	384.75	10.00	-54.40
O=C([O-])CN(C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012548062	0	58	0.0	-50.24	412.69	11.59	-38.65
O=C([O-])CN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012548062	1	58	0.0	-52.15	419.91	12.18	-39.97
CC(CN(C)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548063	0	54	0.0	-71.26	398.68	10.36	-60.90
CC(CN(C)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548063	1	54	0.0	-71.40	398.72	10.40	-61.00
CC[C@H](C)[C@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548064	0	57	0.0	-67.30	407.99	9.14	-58.16
CC[C@H](C)[C@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548064	1	57	0.0	-66.49	416.97	9.80	-56.69
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548065	0	54	0.0	-67.27	397.87	10.86	-56.41
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548065	1	54	0.0	-65.39	397.88	11.04	-54.35
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CC(CO)C1	REAL300012548066	0	56	0.0	-70.60	420.86	6.86	-63.74
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CC(CO)C1	REAL300012548066	1	56	0.0	-77.87	418.77	6.75	-71.12
CC1CCC(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012548067	0	58	0.0	-69.94	414.44	9.94	-60.00
CC1CCC(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012548067	1	58	0.0	-73.08	422.70	10.60	-62.48
CC1(C)CCCC1(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548068	0	61	0.0	-73.65	431.41	11.21	-62.44
CC1(C)CCCC1(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548068	1	61	0.0	-70.34	433.05	11.31	-59.03
COCCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548069	0	55	0.0	-66.42	411.84	7.33	-59.09
COCCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548069	1	55	0.0	-70.20	421.17	7.94	-62.26
CC1(C)CC(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012548070	0	58	0.0	-71.98	420.58	10.58	-61.40
CC1(C)CC(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012548070	1	58	0.0	-74.47	424.66	11.27	-63.20
CC1(C(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012548071	0	55	0.0	-69.02	402.01	9.57	-59.45
CC1(C(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012548071	1	55	0.0	-72.34	411.10	10.26	-62.08
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548072	0	53	0.0	-78.64	392.43	6.55	-72.09
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548072	1	53	0.0	-83.26	392.77	6.59	-76.67
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCOC1	REAL300012548073	0	56	0.0	-70.98	405.61	7.17	-63.81
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCOC1	REAL300012548073	1	56	0.0	-68.53	419.38	8.16	-60.37
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548074	0	56	0.0	-79.14	407.84	11.91	-67.23
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548074	1	56	0.0	-76.99	403.82	11.19	-65.80
O=C([O-])C12COC(CN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300012548075	0	54	0.0	-75.01	400.16	9.64	-65.37
O=C([O-])C12COC(CN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C2	REAL300012548075	1	54	0.0	-75.81	400.76	9.63	-66.18
CC1CCC(C(=O)[O-])N(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300012548076	0	58	0.0	-78.65	409.33	12.26	-66.39
CC1CCC(C(=O)[O-])N(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300012548076	1	58	0.0	-50.40	421.82	11.31	-39.09
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548077	0	62	0.0	-67.35	455.44	11.37	-55.98
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548077	1	62	0.0	-66.96	454.71	12.69	-54.27
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCC1	REAL300012548078	0	55	0.0	-68.40	403.16	9.05	-59.35
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCC1	REAL300012548078	1	55	0.0	-71.59	403.11	9.06	-62.53
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCCCC1	REAL300012548079	0	61	0.0	-70.07	438.83	10.58	-59.49
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCCCC1	REAL300012548079	1	61	0.0	-70.86	440.57	11.17	-59.69
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCC1	REAL300012548080	0	55	0.0	-68.40	403.16	9.05	-59.35
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCC1	REAL300012548080	1	55	0.0	-71.59	403.11	9.06	-62.53
CC1CCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300012548081	0	55	0.0	-74.45	399.92	11.36	-63.09
CC1CCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300012548081	1	55	0.0	-73.77	406.79	11.36	-62.41
C=CCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548082	0	52	0.0	-65.80	391.45	8.72	-57.08
C=CCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548082	1	52	0.0	-69.95	395.94	8.68	-61.27
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548083	0	62	0.0	-35.54	417.87	11.74	-23.80
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548083	1	62	0.0	-49.63	428.93	11.92	-37.71
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548084	0	56	0.0	-50.08	405.99	10.99	-39.09
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548084	1	56	0.0	-53.13	405.11	11.06	-42.07
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548085	0	62	0.0	-67.35	455.44	11.37	-55.98
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548085	1	62	0.0	-66.96	454.71	12.69	-54.27
COC1CC(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012548086	0	56	0.0	-66.45	420.33	8.44	-58.01
COC1CC(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012548086	1	56	0.0	-73.17	421.85	8.53	-64.64
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CC(F)(F)C1	REAL300012548087	0	52	0.0	-69.65	387.94	8.94	-60.71
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CC(F)(F)C1	REAL300012548087	1	52	0.0	-72.35	397.33	9.62	-62.73
CO[C@H]1C[C@](NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012548088	0	56	0.0	-66.50	420.05	8.43	-58.07
CO[C@H]1C[C@](NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012548088	1	56	0.0	-69.82	416.85	8.14	-61.68
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548089	0	58	0.0	-75.06	410.03	11.84	-63.22
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548089	1	58	0.0	-73.02	410.08	11.84	-61.18
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548090	0	51	0.0	-61.13	394.34	8.90	-52.23
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548090	1	51	0.0	-63.94	403.43	9.60	-54.34
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548091	0	59	0.0	-65.76	433.12	8.81	-56.95
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548091	1	59	0.0	-68.01	442.34	8.92	-59.09
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)COC1	REAL300012548092	0	50	0.0	-65.85	374.98	5.92	-59.93
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)COC1	REAL300012548092	1	50	0.0	-69.08	374.88	5.96	-63.12
CC(C)C(C)(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548093	0	57	0.0	-66.71	399.28	9.27	-57.44
CC(C)C(C)(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548093	1	57	0.0	-69.50	406.55	9.90	-59.60
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548094	0	53	0.0	-76.79	393.48	11.97	-64.82
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548094	1	53	0.0	-78.02	384.44	11.30	-66.72
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548095	0	56	0.0	-74.78	409.62	11.55	-63.23
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548095	1	56	0.0	-76.70	409.52	11.55	-65.15
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CC2CCC1C2	REAL300012548096	0	62	0.0	-68.60	434.78	10.59	-58.01
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CC2CCC1C2	REAL300012548096	1	62	0.0	-72.27	450.20	11.73	-60.54
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548097	0	62	0.0	-38.90	432.68	11.89	-27.01
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548097	1	62	0.0	-47.69	444.46	11.99	-35.70
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548098	0	62	0.0	-75.15	441.60	11.98	-63.17
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548098	1	62	0.0	-78.07	444.92	12.45	-65.62
C=CCSCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548099	0	56	0.0	-66.48	445.30	10.74	-55.74
C=CCSCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548099	1	56	0.0	-65.15	445.24	10.78	-54.37
CCC(C(=O)[O-])N(CC)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548100	0	57	0.0	-65.67	411.76	11.58	-54.09
CCC(C(=O)[O-])N(CC)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548100	1	57	0.0	-65.48	407.62	10.96	-54.52
COC1(C(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])CCC1	REAL300012548101	0	59	0.0	-64.33	425.35	7.84	-56.49
COC1(C(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])CCC1	REAL300012548101	1	59	0.0	-73.97	431.30	7.95	-66.02
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CC(C(F)F)C1	REAL300012548102	0	55	0.0	-73.08	420.44	10.42	-62.66
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CC(C(F)F)C1	REAL300012548102	1	55	0.0	-75.07	420.46	10.36	-64.71
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548104	0	52	0.0	-75.03	388.66	10.18	-64.85
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548104	1	52	0.0	-70.63	393.38	10.55	-60.08
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548105	0	54	0.0	-51.34	403.52	11.32	-40.02
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548105	1	54	0.0	-48.75	397.74	10.91	-37.84
CC1(C)CCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300012548106	0	58	0.0	-75.73	421.13	11.71	-64.02
CC1(C)CCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300012548106	1	58	0.0	-76.71	422.27	11.43	-65.28
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548107	0	62	0.0	-75.07	429.02	12.62	-62.45
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548107	1	62	0.0	-76.10	445.26	13.42	-62.68
CC(C)CCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548108	0	60	0.0	-69.34	447.88	11.00	-58.34
CC(C)CCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548108	1	60	0.0	-67.65	443.47	10.22	-57.43
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548109	0	59	0.0	-53.44	435.95	12.12	-41.32
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548109	1	59	0.0	-51.88	435.99	11.88	-40.00
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548110	0	59	0.0	-65.76	433.12	8.81	-56.95
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548110	1	59	0.0	-68.01	442.34	8.92	-59.09
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300012548111	0	56	0.0	-73.85	430.64	11.76	-62.09
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300012548111	1	56	0.0	-72.59	425.28	11.26	-61.33
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCCC2CC21	REAL300012548112	0	59	0.0	-71.69	413.78	11.06	-60.63
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCCC2CC21	REAL300012548112	1	59	0.0	-72.26	422.83	11.74	-60.52
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCC2CC21	REAL300012548113	0	56	0.0	-73.86	401.11	10.17	-63.69
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCC2CC21	REAL300012548113	1	56	0.0	-73.13	411.09	10.63	-62.50
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CC2(CCC2)C1	REAL300012548114	0	59	0.0	-71.07	427.20	10.53	-60.54
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CC2(CCC2)C1	REAL300012548114	1	59	0.0	-73.67	427.05	10.52	-63.15
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012548115	0	58	0.0	-70.38	422.25	9.79	-60.59
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012548115	1	58	0.0	-70.97	423.77	10.40	-60.57
CO[C@H](C)[C@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548116	0	55	0.0	-68.81	408.41	7.45	-61.36
CO[C@H](C)[C@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548116	1	55	0.0	-68.38	417.39	8.10	-60.28
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548117	0	55	0.0	-70.75	392.54	9.45	-61.30
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548117	1	55	0.0	-71.92	406.58	10.42	-61.50
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548118	0	58	0.0	-50.70	435.34	13.02	-37.68
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548118	1	58	0.0	-53.47	442.57	13.63	-39.84
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300012548119	0	58	0.0	-53.16	427.88	11.44	-41.72
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300012548119	1	58	0.0	-48.69	422.66	10.82	-37.87
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548120	0	55	0.0	-73.69	408.34	11.85	-61.84
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548120	1	55	0.0	-74.83	408.35	11.95	-62.88
O=C([O-])C1N(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCC1(F)F	REAL300012548121	0	52	0.0	-76.66	398.78	10.62	-66.04
O=C([O-])C1N(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCC1(F)F	REAL300012548121	1	52	0.0	-76.77	388.88	10.27	-66.50
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548122	0	55	0.0	-73.26	406.76	10.90	-62.36
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548122	1	55	0.0	-66.69	415.44	11.47	-55.22
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548123	0	59	0.0	-74.81	423.75	11.91	-62.90
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548123	1	59	0.0	-79.16	420.76	11.18	-67.98
COCCCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548124	0	58	0.0	-66.13	433.58	8.05	-58.08
COCCCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548124	1	58	0.0	-66.42	437.84	8.06	-58.36
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548125	0	57	0.0	-67.01	419.33	11.79	-55.22
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548125	1	57	0.0	-66.30	419.85	11.67	-54.63
CCOCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548126	0	55	0.0	-67.74	411.99	7.47	-60.27
CCOCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548126	1	55	0.0	-72.20	416.48	7.43	-64.77
CC(C)(C)CC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548127	0	60	0.0	-67.99	428.38	10.61	-57.38
CC(C)(C)CC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548127	1	60	0.0	-68.40	438.21	11.29	-57.11
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCCCO1	REAL300012548128	0	59	0.0	-69.50	436.28	9.03	-60.47
O=C([O-])C(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1CCCCO1	REAL300012548128	1	59	0.0	-72.90	437.96	9.00	-63.90
C[C@H]1OCCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)[C@@H]1C(=O)[O-]	REAL300012548129	0	56	0.0	-76.57	404.65	9.63	-66.94
C[C@H]1OCCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)[C@@H]1C(=O)[O-]	REAL300012548129	1	56	0.0	-73.39	408.17	10.07	-63.32
N#CCCC(NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548130	0	52	0.0	-68.03	399.02	8.77	-59.26
N#CCCC(NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012548130	1	52	0.0	-68.78	403.52	8.73	-60.05
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548131	0	55	0.0	-57.73	421.62	11.12	-46.61
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548131	1	55	0.0	-53.63	421.52	11.11	-42.52
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300012548132	0	51	0.0	-64.29	378.47	9.93	-54.36
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300012548132	1	51	0.0	-66.78	373.95	9.22	-57.56
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300012548133	0	59	0.0	-72.31	440.61	10.82	-61.49
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300012548133	1	59	0.0	-70.68	437.09	9.89	-60.79
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2CCCCC2)CC1	REAL300012548279	0	60	0.0	-62.07	443.42	6.89	-55.18
CC(C)C[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548401	0	57	0.0	-75.95	433.02	10.00	-65.95
CC(C)C[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548401	1	57	0.0	-75.27	421.24	9.44	-65.83
C=CCOCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548402	0	56	0.0	-76.70	434.10	8.42	-68.28
C=CCOCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548402	1	56	0.0	-76.66	429.50	7.85	-68.81
C=CC(C)C(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548403	0	55	0.0	-76.75	420.61	9.52	-67.23
C=CC(C)C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548403	1	55	0.0	-73.37	414.90	9.23	-64.14
O=C([O-])C(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300012548404	0	59	0.0	-77.19	438.29	8.52	-68.67
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300012548404	1	59	0.0	-76.66	433.39	8.12	-68.54
COC1CCN(C(=O)NCC2CCC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012548405	0	59	0.0	-81.34	429.52	10.52	-70.82
COC1CCN(C(=O)NCC2CCC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012548405	1	59	0.0	-82.64	430.13	10.76	-71.88
O=C([O-])C(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1CCCOC1	REAL300012548406	0	59	0.0	-72.00	431.96	8.51	-63.49
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCOC1	REAL300012548406	1	59	0.0	-73.31	427.83	7.89	-65.42
CC1CCN(C(=O)NCC2CCC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012548407	0	58	0.0	-82.24	418.42	12.41	-69.83
CC1CCN(C(=O)NCC2CCC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012548407	1	58	0.0	-80.58	417.83	12.12	-68.46
CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548408	0	54	0.0	-64.26	413.79	11.22	-53.04
CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548408	1	54	0.0	-63.58	402.80	10.64	-52.94
CC(C(=O)[O-])N(C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012548409	0	58	0.0	-56.60	412.90	12.19	-44.41
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C=C(Cl)CC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548511	1	52	0.0	-76.10	412.63	9.12	-66.98
C=C(C)CC(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548512	0	55	0.0	-74.58	427.27	10.04	-64.54
C=C(C)CC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548512	1	55	0.0	-74.91	416.38	9.29	-65.62
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548513	0	56	0.0	-83.87	406.24	11.97	-71.90
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548513	1	56	0.0	-87.64	414.91	12.02	-75.62
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548514	0	52	0.0	-73.07	400.00	10.41	-62.66
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548514	1	52	0.0	-73.83	406.08	10.74	-63.09
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548515	0	52	0.0	-77.13	393.46	10.32	-66.81
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548515	1	52	0.0	-79.27	388.49	10.06	-69.21
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012548516	0	53	0.0	-82.26	408.72	10.60	-71.66
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012548516	1	53	0.0	-81.32	408.60	10.61	-70.71
CC(C)C[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548517	0	57	0.0	-75.95	433.02	10.00	-65.95
CC(C)C[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548517	1	57	0.0	-75.27	421.24	9.44	-65.83
O=C([O-])C(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300012548518	0	59	0.0	-77.19	438.29	8.52	-68.67
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300012548518	1	59	0.0	-76.66	433.39	8.12	-68.54
O=C([O-])C(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012548519	0	55	0.0	-75.78	423.66	10.71	-65.07
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012548519	1	55	0.0	-76.92	419.50	10.14	-66.78
O=C([O-])C(CC1CC1)NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548520	0	55	0.0	-74.50	426.49	10.10	-64.40
O=C([O-])C(CC1CC1)NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548520	1	55	0.0	-75.15	426.24	10.16	-64.99
CC(C)CCCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548521	0	63	0.0	-74.39	476.43	11.51	-62.88
CC(C)CCCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548521	1	63	0.0	-73.44	468.67	11.49	-61.95
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548522	0	59	0.0	-78.38	443.69	9.02	-69.36
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548522	1	59	0.0	-74.97	448.60	9.55	-65.42
CSCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548523	0	52	0.0	-72.35	418.06	9.02	-63.33
CSCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548523	1	52	0.0	-72.14	406.16	8.52	-63.62
COC[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548524	0	52	0.0	-75.20	399.34	6.87	-68.33
COC[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548524	1	52	0.0	-76.64	394.74	6.30	-70.34
CC[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548525	0	51	0.0	-74.94	393.54	8.68	-66.26
CC[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548525	1	51	0.0	-74.91	382.54	8.09	-66.82
CCC(C)CC(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548526	0	60	0.0	-74.64	451.19	10.69	-63.95
CCC(C)CC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548526	1	60	0.0	-75.87	440.30	10.03	-65.84
C=CCCCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548527	0	58	0.0	-74.48	450.17	10.78	-63.70
C=CCCCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548527	1	58	0.0	-73.76	443.25	10.73	-63.03
O=C([O-])C1CSCCN1C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548528	0	53	0.0	-78.83	397.15	11.55	-67.28
O=C([O-])C1CSCCN1C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548528	1	53	0.0	-81.55	404.61	11.77	-69.78
CC(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012548529	0	58	0.0	-76.02	438.33	11.51	-64.51
CC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012548529	1	58	0.0	-76.04	438.30	11.51	-64.53
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548530	0	52	0.0	-80.51	393.88	10.25	-70.26
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548530	1	52	0.0	-81.65	393.84	10.26	-71.39
CCCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548531	0	54	0.0	-73.57	408.98	9.39	-64.18
CCCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548531	1	54	0.0	-74.25	408.93	9.39	-64.86
CC(C)[C@@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548532	0	54	0.0	-73.76	398.92	9.04	-64.72
CC(C)[C@@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548532	1	54	0.0	-73.34	398.49	8.68	-64.66
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548533	0	56	0.0	-84.27	407.90	12.09	-72.18
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548533	1	56	0.0	-84.26	408.71	12.03	-72.23
CCN(C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012548534	0	57	0.0	-78.30	408.03	10.84	-67.46
CCN(C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012548534	1	57	0.0	-78.05	419.02	11.41	-66.64
CCCN(C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012548535	0	57	0.0	-59.63	424.84	12.04	-47.59
CCCN(C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012548535	1	57	0.0	-72.48	423.44	11.18	-61.30
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548536	0	51	0.0	-70.28	406.91	10.97	-59.31
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548536	1	51	0.0	-69.82	399.97	10.94	-58.88
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548537	0	51	0.0	-70.28	406.91	10.97	-59.31
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548537	1	51	0.0	-69.82	399.97	10.94	-58.88
CN(C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012548538	0	54	0.0	-76.43	392.62	10.54	-65.89
CN(C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012548538	1	54	0.0	-76.83	388.60	9.95	-66.88
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548539	0	52	0.0	-79.95	382.05	9.97	-69.98
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548539	1	52	0.0	-81.49	381.97	9.98	-71.51
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548540	0	53	0.0	-81.99	398.28	6.84	-75.15
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548540	1	53	0.0	-82.17	399.61	6.72	-75.45
CCC[C@@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548541	0	54	0.0	-74.28	408.97	9.40	-64.88
CCC[C@@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548541	1	54	0.0	-74.10	404.87	8.85	-65.25
O=C([O-])[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012548542	0	55	0.0	-75.23	423.42	10.78	-64.45
O=C([O-])[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012548542	1	55	0.0	-75.72	419.54	10.15	-65.57
C=CCCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548543	0	55	0.0	-73.82	428.43	10.06	-63.76
C=CCCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548543	1	55	0.0	-73.17	420.92	9.97	-63.20
CN1CC(C(=O)[O-])N(C(=O)NCC2CCC[N@H+](CC3=CC=CC=C3)C2)CC1=O	REAL300012548544	0	56	0.0	-73.84	414.59	9.93	-63.91
CN1CC(C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1=O	REAL300012548544	1	56	0.0	-73.74	414.29	9.78	-63.96
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548545	0	55	0.0	-79.94	410.19	11.12	-68.82
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548545	1	55	0.0	-78.62	403.33	11.09	-67.53
CC(C)[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548546	0	54	0.0	-72.04	401.64	9.17	-62.87
CC(C)[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548546	1	54	0.0	-74.67	394.49	8.38	-66.29
O=C([O-])[C@@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012548547	0	55	0.0	-74.35	423.02	10.73	-63.62
O=C([O-])[C@@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012548547	1	55	0.0	-76.91	419.50	10.14	-66.77
CC(CN1C=CC=N1)(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548548	0	58	0.0	-76.33	433.04	10.04	-66.29
CC(CN1C=CC=N1)(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548548	1	58	0.0	-76.01	433.30	9.52	-66.49
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548549	0	51	0.0	-70.20	378.50	9.69	-60.51
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548549	1	51	0.0	-72.08	373.46	9.14	-62.94
CCC[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548550	0	54	0.0	-74.88	415.03	9.44	-65.44
CCC[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548550	1	54	0.0	-74.86	404.03	8.85	-66.01
CCN(C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012548551	0	54	0.0	-71.31	401.57	10.39	-60.92
CCN(C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012548551	1	54	0.0	-74.01	398.19	11.15	-62.86
O=C([O-])CN(C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300012548552	0	58	0.0	-62.53	421.78	12.01	-50.52
O=C([O-])CN(C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300012548552	1	58	0.0	-62.73	417.64	11.46	-51.27
CC(CN(C)C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548553	0	54	0.0	-74.71	398.71	10.12	-64.59
CC(CN(C)C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548553	1	54	0.0	-74.43	398.65	10.11	-64.32
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548554	0	57	0.0	-73.17	417.06	9.57	-63.60
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548554	1	57	0.0	-75.24	412.95	9.01	-66.23
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548555	0	54	0.0	-71.10	397.86	10.77	-60.33
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548555	1	54	0.0	-73.01	393.79	10.06	-62.95
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](CC3=CC=CC=C3)C2)CC(CO)C1	REAL300012548556	0	56	0.0	-77.68	420.88	6.63	-71.05
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](CC3=CC=CC=C3)C2)CC(CO)C1	REAL300012548556	1	56	0.0	-77.71	420.83	6.62	-71.09
CC1CCC(NC(=O)NCC2CCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012548557	0	58	0.0	-76.31	423.68	10.28	-66.03
CC1CCC(NC(=O)NCC2CCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012548557	1	58	0.0	-76.95	423.61	10.28	-66.67
CC1(C)CCCC1(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548558	0	61	0.0	-76.50	433.10	11.10	-65.40
CC1(C)CCCC1(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548558	1	61	0.0	-79.18	428.92	10.54	-68.64
COCCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548559	0	55	0.0	-74.63	428.04	7.74	-66.89
COCCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548559	1	55	0.0	-74.48	421.11	7.69	-66.79
CC1(C)CC(NC(=O)NCC2CCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012548560	0	58	0.0	-78.18	425.07	11.05	-67.13
CC1(C)CC(NC(=O)NCC2CCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012548560	1	58	0.0	-77.63	425.01	11.05	-66.58
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O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548613	1	59	0.0	-84.01	431.92	11.68	-72.33
COCCCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548614	0	58	0.0	-74.04	449.54	8.51	-65.53
COCCCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548614	1	58	0.0	-73.66	442.61	8.46	-65.20
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548615	0	57	0.0	-71.52	426.84	11.46	-60.06
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548615	1	57	0.0	-72.34	426.27	11.42	-60.92
CCOCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548616	0	55	0.0	-76.13	427.94	7.93	-68.20
CCOCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548616	1	55	0.0	-77.00	416.59	7.28	-69.72
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O=C([O-])C(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1CCCCO1	REAL300012548618	0	59	0.0	-76.65	438.72	9.19	-67.46
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCO1	REAL300012548618	1	59	0.0	-77.25	431.20	8.17	-69.08
C[C@H]1OCCN(C(=O)NCC2CCC[N@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300012548619	0	56	0.0	-80.33	408.97	10.12	-70.21
C[C@H]1OCCN(C(=O)NCC2CCC[N@@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300012548619	1	56	0.0	-80.25	409.21	10.08	-70.17
N#CCCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548620	0	52	0.0	-75.64	415.22	9.17	-66.47
N#CCCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012548620	1	52	0.0	-74.87	407.46	9.14	-65.73
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548621	0	55	0.0	-65.08	420.47	11.34	-53.74
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548621	1	55	0.0	-63.28	432.94	11.61	-51.67
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300012548622	0	51	0.0	-70.63	378.50	9.69	-60.94
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012548622	1	51	0.0	-70.48	374.39	9.14	-61.34
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012548623	0	59	0.0	-76.26	441.65	10.36	-65.90
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012548623	1	59	0.0	-80.60	448.23	10.53	-70.07
CC[NH+](CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=CC=CO1	REAL300012548624	0	53	0.0	-62.08	397.63	7.69	-54.39
C=CCOCC(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548625	0	52	0.0	-66.31	406.91	6.03	-60.28
C=CC(C)C(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548626	0	51	0.0	-65.94	391.83	7.38	-58.56
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CO1	REAL300012548627	0	55	0.0	-68.12	399.03	6.19	-61.93
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1=CC=CO1	REAL300012548628	0	51	0.0	-60.31	406.38	9.14	-51.17
CC[NH+](CC)C(CNC(=O)N1CCC(OC)CC1C(=O)[O-])C1=CC=CO1	REAL300012548629	0	55	0.0	-77.43	402.46	8.19	-69.24
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CC=CO1	REAL300012548630	0	55	0.0	-63.90	404.76	6.05	-57.85
CC[NH+](CC)C(CNC(=O)N1CCC(C)CC1C(=O)[O-])C1=CC=CO1	REAL300012548631	0	54	0.0	-77.30	379.05	9.71	-67.59
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1)C1=CC=CO1	REAL300012548632	0	54	0.0	-63.08	423.83	9.03	-54.05
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1)C1=CC=CO1	REAL300012548633	0	57	0.0	-68.01	438.05	9.76	-58.25
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1)C1=CC=CO1	REAL300012548634	0	57	0.0	-65.62	431.51	10.25	-55.37
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C)C1=CC=CO1	REAL300012548635	0	57	0.0	-64.96	426.15	9.34	-55.62
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+](CC)CC	REAL300012548636	0	50	0.0	-48.45	373.43	9.06	-39.39
CC[NH+](CC)C(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)C1=CC=CO1	REAL300012548637	0	54	0.0	-50.11	393.16	9.19	-40.92
CCCN(C(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(COC)C(=O)[O-]	REAL300012548638	0	57	0.0	-64.32	417.59	8.53	-55.79
CCCN(C(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(CC)C(=O)[O-]	REAL300012548639	0	56	0.0	-45.71	412.07	10.39	-35.32
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)C1=CC=CO1	REAL300012548640	0	50	0.0	-65.80	372.14	6.90	-58.90
CC[NH+](CC)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CO1	REAL300012548641	0	51	0.0	-76.94	370.52	9.44	-67.50
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=CO1	REAL300012548642	0	51	0.0	-59.35	411.31	8.98	-50.37
CC[NH+](CC)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CO1	REAL300012548643	0	49	0.0	-75.65	365.16	9.41	-66.24
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CO1	REAL300012548644	0	54	0.0	-69.28	389.90	8.49	-60.79
CC[NH+](CC)C(CNC(=O)N1CCCC1C(=O)[O-])C1=CC=CO1	REAL300012548645	0	48	0.0	-67.25	357.79	8.26	-58.99
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CO1	REAL300012548646	0	51	0.0	-71.40	374.76	7.31	-64.09
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C1=CC=CO1	REAL300012548647	0	57	0.0	-70.69	390.22	9.22	-61.47
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CO1	REAL300012548648	0	54	0.0	-69.27	417.47	9.38	-59.89
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CO1	REAL300012548649	0	54	0.0	-44.78	415.98	11.16	-33.62
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012548650	0	51	0.0	-66.35	391.28	8.40	-57.95
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012548651	0	51	0.0	-66.36	395.82	8.33	-58.03
CCC(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548652	0	47	0.0	-64.96	360.29	6.24	-58.72
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)C1=CC=CO1	REAL300012548653	0	50	0.0	-65.80	372.14	6.90	-58.90
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CO1	REAL300012548654	0	54	0.0	-69.27	417.47	9.38	-59.89
CCC(C)C(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548655	0	53	0.0	-62.62	390.29	7.32	-55.30
CC[NH+](CC)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CO1	REAL300012548656	0	51	0.0	-76.94	370.52	9.44	-67.50
CCCC(C)(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548657	0	53	0.0	-66.68	384.68	7.48	-59.20
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)C1=CC=CO1	REAL300012548658	0	50	0.0	-66.97	368.25	8.31	-58.66
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CO1	REAL300012548659	0	48	0.0	-44.80	360.65	8.74	-36.06
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+](CC)CC	REAL300012548660	0	48	0.0	-48.18	364.75	8.86	-39.32
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(C)C)C1=CC=CO1	REAL300012548661	0	53	0.0	-48.30	388.19	9.34	-38.96
CC[NH+](CC)C(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1=CC=CO1	REAL300012548662	0	55	0.0	-79.15	403.20	11.48	-67.67
CC[NH+](CC)C(CNC(=O)NC(C)(C)C(=O)[O-])C1=CC=CO1	REAL300012548663	0	47	0.0	-54.71	345.85	5.71	-49.00
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=CO1	REAL300012548664	0	51	0.0	-67.30	368.74	7.45	-59.85
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1=CC=CO1	REAL300012548665	0	48	0.0	-66.20	382.26	8.00	-58.20
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CO1	REAL300012548666	0	54	0.0	-69.28	389.90	8.49	-60.79
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)C1=CC=CO1	REAL300012548667	0	50	0.0	-66.97	368.25	8.31	-58.66
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+](CC)CC	REAL300012548668	0	50	0.0	-48.45	373.43	9.06	-39.39
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+](CC)CC	REAL300012548669	0	47	0.0	-66.59	351.91	8.30	-58.29
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548670	0	53	0.0	-67.62	391.54	7.19	-60.43
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CO1	REAL300012548671	0	51	0.0	-71.40	374.76	7.31	-64.09
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1=CC=CO1	REAL300012548672	0	54	0.0	-46.22	423.14	11.11	-35.11
CC[NH+](CC)C(CNC(=O)NC(C)(CC)C(=O)[O-])C1=CC=CO1	REAL300012548673	0	50	0.0	-64.76	364.43	6.61	-58.15
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=CO1	REAL300012548674	0	55	0.0	-70.13	414.76	9.73	-60.40
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1=CC=CO1	REAL300012548675	0	51	0.0	-65.16	403.76	9.18	-55.98
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012548676	0	54	0.0	-63.45	402.89	9.18	-54.27
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+](CC)CC	REAL300012548677	0	47	0.0	-66.59	351.91	8.30	-58.29
CCCCCCC(C)(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548678	0	62	0.0	-65.72	445.23	9.79	-55.93
CC[NH+](CC)C(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CO1	REAL300012548679	0	57	0.0	-67.91	426.05	11.28	-56.63
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC1)C1=CC=CO1	REAL300012548680	0	45	0.0	-72.87	344.67	6.43	-66.44
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=CO1	REAL300012548681	0	51	0.0	-59.35	411.31	8.98	-50.37
CC[NH+](CC)C(CNC(=O)N1CCOCC1C(=O)[O-])C1=CC=CO1	REAL300012548682	0	49	0.0	-74.16	361.50	6.89	-67.27
CC[NH+](CC)C(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)C1=CC=CO1	REAL300012548683	0	57	0.0	-76.28	394.20	10.00	-66.28
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CO1	REAL300012548684	0	48	0.0	-66.08	366.67	6.73	-59.35
CC[NH+](CC)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CO1	REAL300012548685	0	57	0.0	-49.54	433.34	12.08	-37.46
CC[NH+](CC)C(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012548686	0	54	0.0	-69.64	400.22	10.71	-58.93
CC[NH+](CC)C(CNC(=O)N(CCOC)CC(=O)[O-])C1=CC=CO1	REAL300012548687	0	51	0.0	-45.57	388.35	7.34	-38.23
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1=CC=CO1	REAL300012548688	0	55	0.0	-73.31	405.95	9.47	-63.84
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012548689	0	48	0.0	-70.93	354.68	7.89	-63.04
CC[NH+](CC)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012548690	0	51	0.0	-72.10	369.43	9.33	-62.77
CC[NH+](CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1=CC=CO1	REAL300012548691	0	47	0.0	-60.61	350.26	7.15	-53.46
CC[NH+](CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CO1	REAL300012548692	0	48	0.0	-73.15	360.67	7.61	-65.54
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC1)C1=CC=CO1	REAL300012548693	0	48	0.0	-72.15	361.46	6.94	-65.21
C=CCC(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548694	0	48	0.0	-66.62	372.08	6.88	-59.74
CC[NH+](CC)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CC=CO1	REAL300012548695	0	51	0.0	-72.59	376.39	8.48	-64.11
CC[NH+](CC)C(CNC(=O)N1CCCCCC1C(=O)[O-])C1=CC=CO1	REAL300012548696	0	54	0.0	-70.89	383.29	9.59	-61.30
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CO1	REAL300012548697	0	48	0.0	-66.08	366.67	6.73	-59.35
CC[NH+](CC)C(CNC(=O)N(C)C(C)C(=O)[O-])C1=CC=CO1	REAL300012548698	0	47	0.0	-62.43	345.12	7.54	-54.89
CCCCC(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548699	0	53	0.0	-64.30	403.04	7.84	-56.46
CC[NH+](CC)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CO1	REAL300012548700	0	57	0.0	-49.54	433.34	12.08	-37.46
CC[NH+](CC)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=CO1	REAL300012548701	0	51	0.0	-73.89	376.06	8.69	-65.20
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CC[NH+](CC)C(CNC(=O)NC(COC)C(=O)[O-])C1=CC=CO1	REAL300012548703	0	48	0.0	-66.31	366.96	4.58	-61.73
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CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C1CC1	REAL300012548709	0	54	0.0	-57.19	396.00	9.87	-47.32
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1=CC=CO1	REAL300012548710	0	51	0.0	-69.26	408.42	8.73	-60.53
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CC[NH+](CC)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CO1	REAL300012548713	0	60	0.0	-67.88	439.14	9.62	-58.26
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)C1=CC=CO1	REAL300012548714	0	57	0.0	-44.55	427.90	12.03	-32.52
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1)C1=CC=CO1	REAL300012548715	0	54	0.0	-65.70	417.89	8.98	-56.72
CC[NH+](CC)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CO1	REAL300012548716	0	47	0.0	-60.47	374.74	7.13	-53.34
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)C1=CC=CO1	REAL300012548717	0	52	0.0	-65.80	387.54	8.14	-57.66
CC[NH+](CC)C(CNC(=O)NC(C)(COC)C(=O)[O-])C1=CC=CO1	REAL300012548718	0	51	0.0	-70.83	381.43	6.01	-64.82
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+](CC)CC	REAL300012548719	0	54	0.0	-64.55	401.43	7.66	-56.89
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(C)C)C1=CC=CO1	REAL300012548720	0	53	0.0	-48.30	388.19	9.34	-38.96
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CO1	REAL300012548721	0	48	0.0	-44.80	360.65	8.74	-36.06
CC[NH+](CC)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1=CC=CO1	REAL300012548722	0	50	0.0	-49.18	391.56	9.44	-39.74
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CC=CO1	REAL300012548723	0	49	0.0	-64.90	365.82	4.75	-60.15
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CO1	REAL300012548724	0	57	0.0	-68.12	414.01	8.54	-59.58
CC[NH+](CC)C(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])C1=CC=CO1	REAL300012548725	0	58	0.0	-60.42	428.86	9.19	-51.23
CC[NH+](CC)C(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1=CC=CO1	REAL300012548726	0	58	0.0	-44.78	435.61	11.71	-33.07
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)C1=CC=CO1	REAL300012548727	0	52	0.0	-70.89	381.28	5.95	-64.94
C=CCCC(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548728	0	51	0.0	-67.16	393.36	7.68	-59.48
CC[NH+](CC)C(CNC(=O)NC(CF)C(=O)[O-])C1=CC=CO1	REAL300012548729	0	44	0.0	-54.82	341.14	5.33	-49.49
CC[NH+](CC)C(CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])C1=CC=CO1	REAL300012548730	0	57	0.0	-45.33	427.56	11.52	-33.81
CC[NH+](CC)C(CNC(=O)N(C)C(C)C(=O)[O-])C1=CC=CO1	REAL300012548731	0	47	0.0	-62.43	345.12	7.54	-54.89
CC[NH+](CC)C(CNC(=O)NC(CC)(CC)C(=O)[O-])C1=CC=CO1	REAL300012548732	0	53	0.0	-66.63	375.61	7.60	-59.03
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1)C1=CC=CO1	REAL300012548733	0	55	0.0	-66.50	425.32	7.63	-58.87
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+](CC)CC	REAL300012548734	0	53	0.0	-44.46	390.53	9.39	-35.07
CC[NH+](CC)C(CNC(=O)NC(CC)(COC)C(=O)[O-])C1=CC=CO1	REAL300012548735	0	54	0.0	-71.38	393.92	6.91	-64.47
CC[NH+](CC)C(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])C1=CC=CO1	REAL300012548736	0	57	0.0	-63.78	417.36	8.63	-55.15
CC[NH+](CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CO1	REAL300012548737	0	51	0.0	-67.30	391.17	7.78	-59.52
CC[NH+](CC)C(CNC(=O)NC(CCOC)C(=O)[O-])C1=CC=CO1	REAL300012548738	0	51	0.0	-67.72	392.72	5.42	-62.30
CC[NH+](CC)C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])C1=CC=CO1	REAL300012548739	0	56	0.0	-65.42	409.14	9.69	-55.73
CC[NH+](CC)C(CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CO1	REAL300012548740	0	47	0.0	-59.81	370.91	6.76	-53.05
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CO1)[NH+](CC)CC	REAL300012548741	0	57	0.0	-74.85	410.12	10.40	-64.45
CCCN(C(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012548742	0	53	0.0	-46.02	391.23	9.31	-36.71
CC[NH+](CC)C(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C1=CC=CO1	REAL300012548743	0	57	0.0	-34.33	427.92	11.98	-22.35
CC[NH+](CC)C(CNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012548744	0	57	0.0	-68.39	416.03	10.08	-58.31
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1)C1=CC=CO1	REAL300012548745	0	61	0.0	-71.48	441.28	7.54	-63.94
CC[NH+](CC)C(CNC(=O)NC(CCF)C(=O)[O-])C1=CC=CO1	REAL300012548746	0	47	0.0	-66.52	365.64	6.49	-60.03
CC[NH+](CC)C(CNC(=O)NC(CC1(OC)CCC1)C(=O)[O-])C1=CC=CO1	REAL300012548747	0	58	0.0	-71.19	426.84	7.76	-63.43
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=CO1	REAL300012548748	0	55	0.0	-44.14	401.76	8.06	-36.08
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C1=CC=CO1	REAL300012548749	0	57	0.0	-41.23	412.19	10.32	-30.91
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)C1=CC=CO1	REAL300012548750	0	57	0.0	-72.29	403.93	8.94	-63.35
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1)C1=CC=CO1	REAL300012548751	0	55	0.0	-70.60	422.98	8.39	-62.21
CC[NH+](CC)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CC=CO1	REAL300012548752	0	50	0.0	-63.80	369.78	6.86	-56.94
CC[NH+](CC)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1=CC=CO1	REAL300012548753	0	52	0.0	-74.09	394.10	8.92	-65.17
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012548754	0	48	0.0	-66.66	366.75	8.52	-58.14
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1)C1=CC=CO1	REAL300012548755	0	55	0.0	-68.99	425.44	7.66	-61.33
CC[NH+](CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CC=CO1	REAL300012548756	0	47	0.0	-62.30	350.68	7.20	-55.10
CC[NH+](CC)C(CNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-])C1=CC=CO1	REAL300012548757	0	57	0.0	-75.62	425.41	10.07	-65.55
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1=CC=CO1	REAL300012548758	0	60	0.0	-69.12	417.28	9.31	-59.81
CC[NH+](CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC=CO1	REAL300012548759	0	49	0.0	-75.52	363.33	8.90	-66.62
CC[NH+](CC)C(CNC(=O)N1CC(OC)CC1(C)C(=O)[O-])C1=CC=CO1	REAL300012548760	0	55	0.0	-71.80	409.32	7.67	-64.13
CC[NH+](CC)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1=CC=CO1	REAL300012548761	0	58	0.0	-64.22	431.33	7.14	-57.08
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC=CO1	REAL300012548762	0	53	0.0	-68.20	391.09	7.34	-60.86
C=C(Cl)CC(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548763	0	48	0.0	-59.65	388.52	7.42	-52.23
C=C(C)CC(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548764	0	51	0.0	-68.19	392.19	7.65	-60.54
CC[NH+](CC)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CC=CO1	REAL300012548765	0	52	0.0	-83.32	375.76	9.85	-73.47
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1=CC=CO1	REAL300012548766	0	48	0.0	-62.15	371.52	8.13	-54.02
CC[NH+](CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CO1	REAL300012548767	0	48	0.0	-73.64	359.90	8.55	-65.09
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+](CC)CC)C1	REAL300012548768	0	49	0.0	-70.90	373.50	8.30	-62.60
CC[NH+](CC)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1=CC=CO1	REAL300012548769	0	58	0.0	-62.44	429.68	7.18	-55.26
CC[NH+](CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=CC=CO1	REAL300012548770	0	53	0.0	-62.08	397.63	7.69	-54.39
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CO1	REAL300012548771	0	55	0.0	-68.12	399.03	6.19	-61.93
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012548772	0	51	0.0	-66.36	395.82	8.33	-58.03
CC[NH+](CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CO1	REAL300012548773	0	51	0.0	-67.30	391.17	7.78	-59.52
CC[NH+](CC)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1=CC=CO1	REAL300012548774	0	50	0.0	-64.30	404.42	6.42	-57.88
CC[NH+](CC)C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])C1=CC=CO1	REAL300012548775	0	59	0.0	-64.31	442.11	9.14	-55.17
CC[NH+](CC)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C1=CC=CO1	REAL300012548776	0	55	0.0	-70.74	416.89	6.70	-64.04
CC[NH+](CC)C(CNC(=O)NC(CSC)C(=O)[O-])C1=CC=CO1	REAL300012548777	0	48	0.0	-62.71	378.80	6.67	-56.04
CC[NH+](CC)C(CNC(=O)N[C@@H](COC)C(=O)[O-])C1=CC=CO1	REAL300012548778	0	48	0.0	-63.09	370.91	4.60	-58.49
CC[C@H](NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548779	0	47	0.0	-66.10	359.46	6.24	-59.86
CC[NH+](CC)C(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CO1	REAL300012548780	0	54	0.0	-65.82	419.94	9.42	-56.40
CCC(C)CC(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548781	0	56	0.0	-67.74	415.18	8.37	-59.37
C=CCCCC(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548782	0	54	0.0	-64.43	415.86	8.40	-56.03
CC[NH+](CC)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CO1	REAL300012548783	0	54	0.0	-67.34	424.94	9.32	-58.02
CC[NH+](CC)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CO1	REAL300012548784	0	49	0.0	-75.65	365.16	9.41	-66.24
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012548785	0	54	0.0	-63.45	402.89	9.18	-54.27
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012548786	0	48	0.0	-70.93	354.68	7.89	-63.04
CCCC(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548787	0	50	0.0	-66.76	380.30	7.18	-59.58
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C1=CC=CO1	REAL300012548788	0	50	0.0	-65.11	365.84	6.88	-58.23
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CC=CO1	REAL300012548789	0	52	0.0	-80.17	380.62	9.74	-70.43
CCN(C(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(C)(C)C(=O)[O-]	REAL300012548790	0	53	0.0	-69.02	384.22	8.99	-60.03
CCCN(C(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012548791	0	53	0.0	-46.02	391.23	9.31	-36.71
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CO1	REAL300012548792	0	47	0.0	-61.25	372.88	8.51	-52.74
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CO1	REAL300012548793	0	47	0.0	-61.25	372.88	8.51	-52.74
CC[NH+](CC)C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C1=CC=CO1	REAL300012548794	0	50	0.0	-69.13	366.25	8.14	-60.99
CC[NH+](CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CO1	REAL300012548795	0	48	0.0	-73.15	360.67	7.61	-65.54
CC[NH+](CC)C(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1=CC=CO1	REAL300012548796	0	60	0.0	-43.14	443.88	7.21	-35.93
CC[NH+](CC)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012548797	0	49	0.0	-71.45	372.41	4.26	-67.19
CC[NH+](CC)C(CNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-])C1=CC=CO1	REAL300012548798	0	55	0.0	-72.69	410.37	11.80	-60.89
CC[NH+](CC)C(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012548799	0	58	0.0	-48.54	417.85	11.61	-36.93
CCC[C@@H](NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548800	0	50	0.0	-64.32	381.56	7.06	-57.26
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012548801	0	51	0.0	-66.35	391.28	8.40	-57.95
CC[NH+](CC)C(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1=CC=CO1	REAL300012548802	0	56	0.0	-67.55	436.58	8.26	-59.29
C=CCCC(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548803	0	51	0.0	-67.16	393.36	7.68	-59.48
CC[NH+](CC)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1=CC=CO1	REAL300012548804	0	50	0.0	-70.51	404.00	6.37	-64.14
CC[NH+](CC)C(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1=CC=CO1	REAL300012548805	0	51	0.0	-85.51	383.82	5.92	-79.59
CC[NH+](CC)C(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C1=CC=CO1	REAL300012548806	0	52	0.0	-45.13	387.97	6.26	-38.87
CC[NH+](CC)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=CO1	REAL300012548807	0	51	0.0	-74.06	376.77	8.72	-65.34
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C1=CC=CO1	REAL300012548808	0	50	0.0	-65.77	371.44	6.55	-59.22
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012548809	0	51	0.0	-65.72	397.08	8.33	-57.39
CC[NH+](CC)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1=CC=CO1	REAL300012548810	0	54	0.0	-69.45	404.65	7.76	-61.69
CC[NH+](CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CC=CO1	REAL300012548811	0	47	0.0	-62.30	350.68	7.20	-55.10
CCC[C@H](NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548812	0	50	0.0	-66.63	381.88	7.04	-59.59
CCN(C(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012548813	0	50	0.0	-64.12	366.75	8.19	-55.93
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CO1	REAL300012548814	0	54	0.0	-41.15	394.95	9.63	-31.52
CC[NH+](CC)C(CNC(=O)N(C)CC(C)C(=O)[O-])C1=CC=CO1	REAL300012548815	0	50	0.0	-70.41	370.52	8.08	-62.33
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548816	0	53	0.0	-67.62	391.54	7.19	-60.43
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+](CC)CC	REAL300012548817	0	50	0.0	-58.99	370.65	8.54	-50.45
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CC=CO1	REAL300012548818	0	52	0.0	-70.72	392.43	4.36	-66.36
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1=CC=CO1	REAL300012548819	0	60	0.0	-68.44	436.95	7.87	-60.57
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)C1=CC=CO1	REAL300012548820	0	54	0.0	-69.45	396.45	8.01	-61.44
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1=CC=CO1	REAL300012548821	0	57	0.0	-71.43	405.82	8.70	-62.73
CC[NH+](CC)C(CNC(=O)NC(CCOC)C(=O)[O-])C1=CC=CO1	REAL300012548822	0	51	0.0	-67.72	392.72	5.42	-62.30
CC[NH+](CC)C(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CO1	REAL300012548823	0	57	0.0	-67.91	426.05	11.28	-56.63
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CC=CO1	REAL300012548824	0	54	0.0	-73.12	397.54	8.65	-64.47
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=CO1	REAL300012548825	0	51	0.0	-68.21	389.27	7.32	-60.89
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1=CC=CO1	REAL300012548826	0	60	0.0	-65.23	444.82	7.51	-57.72
CC[NH+](CC)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012548827	0	49	0.0	-74.47	370.07	4.73	-69.74
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CC=CO1	REAL300012548828	0	52	0.0	-67.66	385.82	5.40	-62.26
CC[NH+](CC)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CC=CO1	REAL300012548829	0	52	0.0	-78.90	375.89	9.44	-69.46
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1=CC=CO1	REAL300012548830	0	55	0.0	-77.34	425.62	9.08	-68.26
CC[NH+](CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CC=CO1	REAL300012548831	0	50	0.0	-75.24	374.21	7.02	-68.22
CC[NH+](CC)C(CNC(=O)N1CC(C)CCC1C(=O)[O-])C1=CC=CO1	REAL300012548832	0	54	0.0	-76.75	391.39	10.06	-66.69
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)C1=CC=CO1	REAL300012548833	0	57	0.0	-66.79	432.61	9.71	-57.08
CC[NH+](CC)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CO1	REAL300012548834	0	58	0.0	-69.32	424.29	10.77	-58.55
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CO1	REAL300012548835	0	51	0.0	-69.45	374.84	7.65	-61.80
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CO1	REAL300012548836	0	57	0.0	-68.12	414.01	8.54	-59.58
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CO1	REAL300012548837	0	51	0.0	-69.45	374.84	7.65	-61.80
CC[NH+](CC)C(CNC(=O)N1CCC(C)C1C(=O)[O-])C1=CC=CO1	REAL300012548838	0	51	0.0	-75.12	380.32	8.45	-66.67
C=CCC(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548839	0	48	0.0	-66.62	372.08	6.88	-59.74
CC[NH+](CC)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=CO1	REAL300012548840	0	58	0.0	-68.01	434.32	7.44	-60.57
CC[NH+](CC)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1=CC=CO1	REAL300012548841	0	58	0.0	-39.59	407.23	10.00	-29.59
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1=CC=CO1	REAL300012548842	0	58	0.0	-73.04	409.47	7.35	-65.69
CC[NH+](CC)C(CNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-])C1=CC=CO1	REAL300012548843	0	58	0.0	-82.42	424.46	11.78	-70.64
CC[NH+](CC)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CC=CO1	REAL300012548844	0	52	0.0	-36.11	376.27	9.36	-26.75
CC[NH+](CC)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CO1	REAL300012548845	0	58	0.0	-69.32	424.29	10.77	-58.55
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CO1	REAL300012548846	0	54	0.0	-73.09	419.31	9.91	-63.18
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(OC)C1)C1=CC=CO1	REAL300012548847	0	52	0.0	-74.00	393.53	6.02	-67.98
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1=CC=CO1	REAL300012548848	0	48	0.0	-72.70	366.76	7.69	-65.01
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)C1=CC=CO1	REAL300012548849	0	52	0.0	-70.15	390.82	6.95	-63.20
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1=CC=CO1	REAL300012548850	0	51	0.0	-57.90	400.35	7.76	-50.14
CC[NH+](CC)C(CNC(=O)N1CCCC1(CC)C(=O)[O-])C1=CC=CO1	REAL300012548851	0	54	0.0	-72.65	391.67	9.83	-62.82
CC[NH+](CC)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CO1	REAL300012548852	0	47	0.0	-60.47	374.74	7.13	-53.34
CC[NH+](CC)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CO1	REAL300012548853	0	55	0.0	-66.20	406.62	6.43	-59.77
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])COC1)C1=CC=CO1	REAL300012548854	0	46	0.0	-65.64	352.31	3.97	-61.67
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=CO1	REAL300012548855	0	51	0.0	-63.13	409.34	8.42	-54.71
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C1=CC=CO1	REAL300012548856	0	53	0.0	-66.66	375.97	7.39	-59.27
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012548857	0	49	0.0	-74.29	365.54	9.41	-64.88
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012548858	0	52	0.0	-75.78	383.30	8.94	-66.84
CC[NH+](CC)C(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C1=CC=CO1	REAL300012548859	0	57	0.0	-34.33	427.92	11.98	-22.35
CC[NH+](CC)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CO1	REAL300012548860	0	60	0.0	-67.88	439.14	9.62	-58.26
CC[NH+](CC)C(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=CO1	REAL300012548861	0	57	0.0	-62.13	439.62	10.16	-51.97
CC[NH+](CC)C(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=CO1	REAL300012548862	0	57	0.0	-66.24	436.26	10.18	-56.06
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1=CC=CO1	REAL300012548863	0	58	0.0	-69.26	419.72	8.99	-60.27
CC[NH+](CC)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1=CC=CO1	REAL300012548864	0	60	0.0	-65.07	440.25	9.50	-55.57
CC[NH+](CC)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1=CC=CO1	REAL300012548865	0	60	0.0	-62.33	439.37	9.57	-52.76
CC[NH+](CC)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1=CC=CO1	REAL300012548866	0	58	0.0	-45.04	418.13	10.82	-34.22
CC[NH+](CC)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012548867	0	58	0.0	-75.52	415.48	10.06	-65.46
C=CCSCC(NC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300012548868	0	52	0.0	-61.94	418.27	8.04	-53.90
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C1=CC=CO1	REAL300012548869	0	55	0.0	-62.30	437.41	9.78	-52.52
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CO1)[NH+](CC)CC	REAL300012548870	0	53	0.0	-63.53	379.18	9.34	-54.19
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1(OC)CCC1)C1=CC=CO1	REAL300012548871	0	55	0.0	-62.69	408.36	5.95	-56.74
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C1=CC=CO1	REAL300012548872	0	58	0.0	-69.11	427.77	10.37	-58.74
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1=CC=CO1	REAL300012548873	0	51	0.0	-66.18	390.27	7.80	-58.38
CC[NH+](CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CO1	REAL300012548875	0	48	0.0	-73.64	359.90	8.55	-65.09
CC[NH+](CC)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CC=CO1	REAL300012548876	0	50	0.0	-41.88	369.40	9.21	-32.67
CC[NH+](CC)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CC=CO1	REAL300012548877	0	54	0.0	-76.49	385.73	9.39	-67.10
CC[NH+](CC)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1=CC=CO1	REAL300012548878	0	58	0.0	-76.44	411.61	12.02	-64.42
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C1=CC=CO1	REAL300012548879	0	58	0.0	-65.64	431.72	10.28	-55.36
CC[NH+](CC)C(CNC(=O)NC(CCC(C)C)C(=O)[O-])C1=CC=CO1	REAL300012548880	0	56	0.0	-67.36	419.61	8.43	-58.93
CC[NH+](CC)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1=CC=CO1	REAL300012548881	0	55	0.0	-43.48	400.84	9.95	-33.53
CC[NH+](CC)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CO1	REAL300012548882	0	55	0.0	-66.20	406.62	6.43	-59.77
CC[NH+](CC)C(CNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-])C1=CC=CO1	REAL300012548883	0	52	0.0	-71.86	397.22	9.60	-62.26
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1=CC=CO1	REAL300012548884	0	55	0.0	-70.37	392.92	9.79	-60.58
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CC=CO1	REAL300012548885	0	52	0.0	-70.89	383.44	8.20	-62.69
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1=CC=CO1	REAL300012548886	0	55	0.0	-69.04	404.13	8.60	-60.44
CC[NH+](CC)C(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])C1=CC=CO1	REAL300012548887	0	57	0.0	-68.86	427.99	11.41	-57.45
CC[NH+](CC)C(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1=CC=CO1	REAL300012548888	0	61	0.0	-33.11	424.15	10.95	-22.16
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CC=CO1	REAL300012548889	0	54	0.0	-66.24	403.73	7.93	-58.31
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C1=CC=CO1	REAL300012548890	0	51	0.0	-67.21	390.16	5.54	-61.67
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)C1=CC=CO1	REAL300012548891	0	51	0.0	-76.22	376.11	8.56	-67.66
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CO1	REAL300012548892	0	54	0.0	-44.78	415.98	11.16	-33.62
CC[NH+](CC)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CC=CO1	REAL300012548893	0	54	0.0	-34.97	399.30	8.94	-26.03
CC[NH+](CC)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1=CC=CO1	REAL300012548894	0	51	0.0	-70.75	380.77	9.41	-61.34
CC[NH+](CC)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1=CC=CO1	REAL300012548895	0	48	0.0	-77.41	371.61	8.05	-69.36
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CO1	REAL300012548896	0	54	0.0	-73.09	419.31	9.91	-63.18
CC[NH+](CC)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CO1	REAL300012548897	0	51	0.0	-65.14	409.50	8.19	-56.95
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1=CC=CO1	REAL300012548898	0	51	0.0	-67.71	382.59	9.43	-58.28
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1=CC=CO1	REAL300012548899	0	55	0.0	-72.84	424.11	9.00	-63.84
CC[NH+](CC)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CO1	REAL300012548900	0	51	0.0	-65.14	409.50	8.19	-56.95
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012548901	0	55	0.0	-78.69	394.14	9.98	-68.71
CC[NH+](CC)C(CNC(=O)NC(CCCOC)C(=O)[O-])C1=CC=CO1	REAL300012548902	0	54	0.0	-66.01	414.22	6.20	-59.81
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+](CC)CC	REAL300012548903	0	53	0.0	-63.87	391.51	9.15	-54.72
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CC[NH+](CC)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CC=CO1	REAL300012548905	0	56	0.0	-66.85	403.85	8.94	-57.91
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C1=CC=CO1	REAL300012548906	0	55	0.0	-67.94	405.59	6.47	-61.47
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=CO1	REAL300012548907	0	55	0.0	-70.13	414.76	9.73	-60.40
CC[NH+](CC)C(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C1=CC=CO1	REAL300012548908	0	52	0.0	-33.36	383.21	6.14	-27.22
CC[NH+](CC)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CC=CO1	REAL300012548909	0	48	0.0	-66.70	380.90	6.80	-59.90
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C[N@H+](CCNC(=O)NC(CC1CCCO1)C(=O)[O-])CC1=CC=CC=C1	REAL300012549068	0	52	0.0	-78.15	407.68	7.11	-71.04
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COC[C@H](NC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549070	1	45	0.0	-74.49	362.86	4.96	-69.53
C[N@H+](CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012549071	0	51	0.0	-73.70	416.33	9.81	-63.89
C[N@@H+](CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012549071	1	51	0.0	-73.45	416.33	9.83	-63.62
CCC(C)CC(NC(=O)NCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549072	0	53	0.0	-74.28	408.52	8.70	-65.58
CCC(C)CC(NC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549072	1	53	0.0	-74.06	408.31	8.76	-65.30
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C=CCCCC(NC(=O)NCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549073	1	51	0.0	-73.82	407.26	8.85	-64.97
C[N@H+](CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012549074	0	51	0.0	-72.64	415.44	9.82	-62.82
C[N@@H+](CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012549074	1	51	0.0	-73.11	416.09	9.89	-63.22
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)CC1=CC=CC=C1	REAL300012549075	0	54	0.0	-72.17	427.87	11.21	-60.96
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)CC1=CC=CC=C1	REAL300012549075	1	54	0.0	-78.76	428.44	10.96	-67.80
C[N@H+](CCNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012549076	0	46	0.0	-81.96	361.97	9.93	-72.03
C[N@@H+](CCNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012549076	1	46	0.0	-80.34	361.16	9.68	-70.66
C[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012549077	0	51	0.0	-74.71	395.45	9.59	-65.12
C[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012549077	1	51	0.0	-74.88	395.45	9.59	-65.29
C[N@H+](CCNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012549078	0	45	0.0	-80.07	351.01	8.34	-71.73
C[N@@H+](CCNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012549078	1	45	0.0	-79.80	351.06	8.34	-71.46
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CCCC(NC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549079	1	47	0.0	-73.43	372.75	7.56	-65.87
CC(C)[C@@H](NC(=O)NCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549080	0	47	0.0	-74.09	363.66	7.06	-67.03
CC(C)[C@@H](NC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549080	1	47	0.0	-73.38	362.93	7.14	-66.24
C[N@H+](CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])CC1=CC=CC=C1	REAL300012549081	0	49	0.0	-85.62	371.89	10.19	-75.43
C[N@@H+](CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])CC1=CC=CC=C1	REAL300012549081	1	49	0.0	-85.42	371.83	10.22	-75.20
CCN(C(=O)NCC[N@H+](C)CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012549082	0	50	0.0	-75.84	376.17	9.52	-66.32
CCN(C(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012549082	1	50	0.0	-76.11	376.22	9.52	-66.59
CCCN(C(=O)NCC[N@H+](C)CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012549083	0	50	0.0	-50.33	381.67	10.17	-40.16
CCCN(C(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012549083	1	50	0.0	-76.89	383.45	10.12	-66.77
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CCC[C@@H](NC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549093	1	47	0.0	-73.43	372.75	7.56	-65.87
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C[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012549095	0	48	0.0	-74.48	387.43	8.89	-65.59
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C[N@@H+](CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-])CC1=CC=CC=C1	REAL300012549098	1	47	0.0	-76.49	396.22	6.81	-69.68
C[N@H+](CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300012549099	0	48	0.0	-70.64	415.96	8.55	-62.09
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C[N@H+](CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300012549100	0	48	0.0	-90.77	380.75	6.21	-84.56
C[N@@H+](CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300012549100	1	48	0.0	-90.86	380.76	6.21	-84.65
CN1CC(C(=O)[O-])N(C(=O)NCC[N@H+](C)CC2=CC=CC=C2)CC1=O	REAL300012549101	0	49	0.0	-74.73	378.28	7.93	-66.80
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C[N@H+](CCNC(=O)N1CCC[C@]1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012549102	0	48	0.0	-79.48	367.34	9.21	-70.27
C[N@@H+](CCNC(=O)N1CCC[C@]1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012549102	1	48	0.0	-79.19	367.40	9.20	-69.99
CC(C)[C@H](NC(=O)NCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549103	0	47	0.0	-74.40	368.59	7.30	-67.10
CC(C)[C@H](NC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549103	1	47	0.0	-74.11	368.53	7.30	-66.81
C[N@H+](CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012549104	0	48	0.0	-74.05	387.02	8.83	-65.22
C[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012549104	1	48	0.0	-74.97	387.68	8.81	-66.16
C[N@H+](CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])CC1=CC=CC=C1	REAL300012549105	0	51	0.0	-76.40	397.11	8.14	-68.26
C[N@@H+](CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])CC1=CC=CC=C1	REAL300012549105	1	51	0.0	-76.22	397.16	8.13	-68.09
CCC[C@H](NC(=O)NCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549106	0	47	0.0	-73.16	372.23	7.53	-65.63
CCC[C@H](NC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549106	1	47	0.0	-72.92	372.16	7.51	-65.41
CCN(C(=O)NCC[N@H+](C)CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012549107	0	47	0.0	-74.25	362.37	9.29	-64.96
CCN(C(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012549107	1	47	0.0	-70.94	358.69	8.47	-62.47
C[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300012549108	0	51	0.0	-56.94	385.76	10.11	-46.83
C[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300012549108	1	51	0.0	-55.11	379.75	9.91	-45.20
CC(CN(C)C(=O)NCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549109	0	47	0.0	-76.60	362.68	8.23	-68.37
CC(CN(C)C(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549109	1	47	0.0	-76.59	362.72	8.23	-68.36
CC[C@H](C)[C@H](NC(=O)NCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549110	0	50	0.0	-74.81	382.79	7.69	-67.12
CC[C@H](C)[C@H](NC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549110	1	50	0.0	-73.17	381.07	7.67	-65.50
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CC[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@@H+](C)CC1=CC=CC=C1	REAL300012549111	1	47	0.0	-71.84	361.92	8.72	-63.12
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C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549113	1	57	0.0	-74.24	431.93	7.91	-66.33
CC1CCC(NC(=O)NCC[N@H+](C)CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012549114	0	51	0.0	-76.82	387.57	8.47	-68.35
CC1CCC(NC(=O)NCC[N@@H+](C)CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012549114	1	51	0.0	-77.13	387.57	8.48	-68.65
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COCCC(NC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012549116	1	48	0.0	-74.44	385.17	5.79	-68.65
CN(C(=O)NCC[N@H+](C)CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012549117	0	54	0.0	-73.57	418.45	11.67	-61.90
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CC(C)CN(CC(=O)[O-])C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549260	1	48	0.0	-58.61	379.33	9.36	-49.25
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CC(C)(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549262	1	42	0.0	-65.31	336.00	5.65	-59.66
CC(C)(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549262	1	42	0.0	-65.32	336.00	5.65	-59.67
CC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)(C(=O)[O-])C1CC1	REAL300012549263	1	46	0.0	-74.56	358.83	7.40	-67.16
CC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)(C(=O)[O-])C1CC1	REAL300012549263	1	46	0.0	-74.45	358.83	7.40	-67.05
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CC(C)N(CC(=O)[O-])C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549266	1	45	0.0	-74.54	352.87	8.34	-66.20
CC(C)N(CC(=O)[O-])C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549266	1	45	0.0	-59.68	353.30	8.36	-51.32
CCCN(CC(=O)[O-])C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549267	1	45	0.0	-58.72	364.68	8.84	-49.88
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C[C@H]1CC[C@@](NC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)(C(=O)[O-])CC1	REAL300012549349	1	52	0.0	-77.95	388.57	8.86	-69.09
COC1=CC=CC(C(NC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C(=O)[O-])=C1	REAL300012549350	1	50	0.0	-77.76	410.69	7.71	-70.05
COC1=CC=CC(C(NC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C(=O)[O-])=C1	REAL300012549350	1	50	0.0	-78.12	410.90	7.64	-70.48
CC(CCF)(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549351	1	45	0.0	-70.87	355.98	6.79	-64.08
CC(CCF)(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549351	1	45	0.0	-70.88	355.98	6.79	-64.09
O=C([O-])C1C2=C(CCN1C(=O)NCC[N@@H+]1CCC3=C(C=CS3)C1)OC=C2	REAL300012549352	1	47	0.0	-62.22	378.91	8.94	-53.28
O=C([O-])C1C2=C(CCN1C(=O)NCC[N@H+]1CCC3=C(C=CS3)C1)OC=C2	REAL300012549352	1	47	0.0	-63.97	378.17	8.83	-55.14
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549353	1	43	0.0	-76.02	359.15	7.93	-68.09
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549353	1	43	0.0	-75.21	357.73	8.04	-67.17
COC1=CC=CC([C@H](NC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C(=O)[O-])=C1	REAL300012549354	1	50	0.0	-77.63	410.26	7.66	-69.97
COC1=CC=CC([C@H](NC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C(=O)[O-])=C1	REAL300012549354	1	50	0.0	-78.16	410.90	7.64	-70.52
C[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549355	1	42	0.0	-71.96	335.20	7.27	-64.69
C[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549355	1	42	0.0	-71.47	336.58	7.39	-64.08
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300012549356	1	52	0.0	-82.97	410.22	10.09	-72.88
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300012549356	1	52	0.0	-78.34	411.11	9.14	-69.20
CC1(C)CCCC(NC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)(C(=O)[O-])C1	REAL300012549357	1	55	0.0	-78.96	402.67	9.36	-69.60
CC1(C)CCCC(NC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)(C(=O)[O-])C1	REAL300012549357	1	55	0.0	-78.98	402.67	9.36	-69.62
O=C([O-])C12CC(C1)CN2C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549358	1	44	0.0	-86.18	351.61	8.80	-77.38
O=C([O-])C12CC(C1)CN2C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549358	1	44	0.0	-86.03	351.25	8.82	-77.21
COC1CN(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C(C)(C(=O)[O-])C1	REAL300012549359	1	50	0.0	-77.49	393.92	7.77	-69.72
COC1CN(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C(C)(C(=O)[O-])C1	REAL300012549359	1	50	0.0	-80.66	394.31	7.72	-72.94
O=C([O-])C(CC1CCCOC1)NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549360	1	53	0.0	-73.11	411.58	7.81	-65.30
O=C([O-])C(CC1CCCOC1)NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549360	1	53	0.0	-73.95	416.40	7.17	-66.78
CC(C)(C)[C@H](NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549361	1	48	0.0	-74.40	374.43	7.39	-67.01
CC(C)(C)[C@H](NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549361	1	48	0.0	-75.90	376.03	7.38	-68.52
C=C(Cl)CC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549362	1	43	0.0	-70.58	373.72	7.39	-63.19
C=C(Cl)CC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549362	1	43	0.0	-75.61	374.50	7.32	-68.29
C=C(C)CC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549363	1	46	0.0	-74.93	378.15	7.64	-67.29
C=C(C)CC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549363	1	46	0.0	-75.56	376.82	7.58	-67.98
O=C([O-])C12CCC(CC1)N2C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549364	1	47	0.0	-88.46	365.78	9.61	-78.85
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O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549365	1	43	0.0	-74.79	356.98	8.34	-66.45
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C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300012549367	1	44	0.0	-80.82	358.24	8.23	-72.59
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300012549367	1	44	0.0	-80.63	358.25	8.24	-72.39
O=C([O-])C(CC1CCOCC1)NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549368	1	53	0.0	-76.64	416.75	7.08	-69.56
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CC(C)C[C@H](NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549369	1	48	0.0	-75.16	383.91	7.61	-67.55
CC(C)C[C@H](NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549369	1	48	0.0	-75.02	383.90	7.62	-67.40
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O=C([O-])C(CC1CC1)NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549372	1	46	0.0	-73.85	376.03	7.83	-66.02
O=C([O-])C(CC1CC1)NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549372	1	46	0.0	-74.22	377.14	7.77	-66.45
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549373	1	45	0.0	-75.60	390.42	6.41	-69.19
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549373	1	45	0.0	-75.15	390.18	6.48	-68.67
CC(C)CCCC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549374	1	54	0.0	-74.70	427.31	9.11	-65.59
CC(C)CCCC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549374	1	54	0.0	-74.75	427.32	9.12	-65.63
O=C([O-])C(CC1CCCO1)NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549375	1	50	0.0	-79.07	401.35	6.62	-72.45
O=C([O-])C(CC1CCCO1)NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549375	1	50	0.0	-78.07	400.54	6.64	-71.43
CSCC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549376	1	43	0.0	-71.97	368.72	6.68	-65.29
CSCC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549376	1	43	0.0	-71.93	368.73	6.69	-65.24
COC[C@H](NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549377	1	43	0.0	-75.45	356.62	4.50	-70.95
COC[C@H](NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549377	1	43	0.0	-75.36	356.63	4.50	-70.86
CC[C@H](NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549378	1	42	0.0	-73.98	344.42	6.28	-67.70
CC[C@H](NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549378	1	42	0.0	-73.94	344.41	6.28	-67.66
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549379	1	49	0.0	-74.52	410.09	9.35	-65.17
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549379	1	49	0.0	-74.01	409.84	9.42	-64.59
CCC(C)CC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549380	1	51	0.0	-75.39	402.18	8.26	-67.13
CCC(C)CC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549380	1	51	0.0	-75.37	402.31	8.23	-67.14
C=CCCCC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549381	1	49	0.0	-74.30	400.81	8.44	-65.86
C=CCCCC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549381	1	49	0.0	-74.31	400.81	8.44	-65.87
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549382	1	49	0.0	-74.56	410.01	9.35	-65.21
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549382	1	49	0.0	-73.95	409.78	9.41	-64.54
O=C([O-])C1CSCCN1C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549383	1	44	0.0	-81.11	354.83	9.18	-71.93
O=C([O-])C1CSCCN1C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549383	1	44	0.0	-81.36	354.77	9.19	-72.17
CC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012549384	1	49	0.0	-75.58	389.21	9.12	-66.46
CC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012549384	1	49	0.0	-75.65	389.21	9.12	-66.53
O=C([O-])[C@H]1CCCN1C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549385	1	43	0.0	-80.91	344.76	7.87	-73.04
O=C([O-])[C@H]1CCCN1C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549385	1	43	0.0	-81.87	346.15	7.77	-74.10
CCCC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549386	1	45	0.0	-74.79	366.75	7.03	-67.76
CCCC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549386	1	45	0.0	-74.26	366.50	7.10	-67.16
CC(C)[C@@H](NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549387	1	45	0.0	-75.03	357.35	6.60	-68.43
CC(C)[C@@H](NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549387	1	45	0.0	-75.19	357.36	6.60	-68.59
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549388	1	47	0.0	-86.22	366.12	9.71	-76.51
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549388	1	47	0.0	-86.31	365.44	9.74	-76.57
CCN(C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(C)(C)C(=O)[O-]	REAL300012549389	1	48	0.0	-76.78	369.92	9.03	-67.75
CCN(C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(C)(C)C(=O)[O-]	REAL300012549389	1	48	0.0	-76.76	369.92	9.06	-67.70
CCCN(C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(C)C(=O)[O-]	REAL300012549390	1	48	0.0	-71.85	374.89	8.92	-62.93
CCCN(C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(C)C(=O)[O-]	REAL300012549390	1	48	0.0	-72.12	374.34	8.81	-63.31
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549391	1	42	0.0	-70.48	357.79	8.59	-61.89
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549391	1	42	0.0	-70.55	357.80	8.59	-61.96
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549392	1	42	0.0	-70.48	357.79	8.59	-61.89
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549392	1	42	0.0	-70.55	357.80	8.59	-61.96
CN(C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(C)(C)C(=O)[O-]	REAL300012549393	1	45	0.0	-77.01	350.46	8.16	-68.85
CN(C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(C)(C)C(=O)[O-]	REAL300012549393	1	45	0.0	-77.05	350.36	8.19	-68.86
O=C([O-])[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549394	1	43	0.0	-80.50	344.00	8.19	-72.31
O=C([O-])[C@@H]1CCCN1C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549394	1	43	0.0	-80.74	344.72	7.91	-72.83
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549395	1	55	0.0	-59.71	431.52	6.56	-53.15
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549395	1	55	0.0	-59.95	431.52	6.57	-53.38
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549396	1	44	0.0	-83.11	356.07	4.48	-78.63
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549396	1	44	0.0	-83.29	356.03	4.49	-78.80
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549397	1	50	0.0	-53.33	399.84	11.13	-42.20
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549397	1	50	0.0	-55.28	398.32	11.04	-44.24
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)[C@H]1C(=O)[O-]	REAL300012549398	1	53	0.0	-62.75	408.27	11.31	-51.44
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)[C@H]1C(=O)[O-]	REAL300012549398	1	53	0.0	-65.17	407.93	11.32	-53.85
CCC[C@@H](NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549399	1	45	0.0	-74.77	366.75	7.03	-67.74
CCC[C@@H](NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549399	1	45	0.0	-74.79	366.74	7.03	-67.76
O=C([O-])[C@H](NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C1=CC=CC=C1	REAL300012549400	1	46	0.0	-75.71	381.41	8.34	-67.37
O=C([O-])[C@H](NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C1=CC=CC=C1	REAL300012549400	1	46	0.0	-75.36	381.19	8.42	-66.94
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549401	1	51	0.0	-76.48	420.70	8.30	-68.18
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549401	1	51	0.0	-77.17	421.53	8.30	-68.87
C=CCCC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549402	1	46	0.0	-74.60	379.56	7.60	-67.00
C=CCCC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549402	1	46	0.0	-74.42	379.56	7.60	-66.82
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549403	1	45	0.0	-77.95	390.24	6.28	-71.67
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549403	1	45	0.0	-77.50	389.99	6.35	-71.15
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549404	1	46	0.0	-91.99	374.51	5.75	-86.24
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549404	1	46	0.0	-92.03	374.38	5.73	-86.30
CN1CC(C(=O)[O-])N(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CC1=O	REAL300012549405	1	47	0.0	-75.66	372.05	7.47	-68.19
CN1CC(C(=O)[O-])N(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CC1=O	REAL300012549405	1	47	0.0	-75.82	372.05	7.43	-68.39
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549406	1	46	0.0	-80.06	361.11	8.74	-71.32
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549406	1	46	0.0	-80.13	361.08	8.74	-71.39
CC(C)[C@H](NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549407	1	45	0.0	-73.68	356.36	6.58	-67.10
CC(C)[C@H](NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549407	1	45	0.0	-73.59	356.38	6.58	-67.01
O=C([O-])[C@@H](NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C1=CC=CC=C1	REAL300012549408	1	46	0.0	-75.10	380.78	8.37	-66.73
O=C([O-])[C@@H](NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C1=CC=CC=C1	REAL300012549408	1	46	0.0	-75.82	381.37	8.34	-67.48
CC(CN1C=CC=N1)(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549409	1	49	0.0	-74.05	395.20	7.72	-66.33
CC(CN1C=CC=N1)(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549409	1	49	0.0	-73.94	395.09	7.74	-66.20
C[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549410	1	42	0.0	-71.96	335.20	7.27	-64.69
C[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549410	1	42	0.0	-71.47	336.58	7.39	-64.08
CCC[C@H](NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549411	1	45	0.0	-73.96	365.91	7.06	-66.90
CCC[C@H](NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549411	1	45	0.0	-73.92	365.92	7.05	-66.87
CCN(C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(C)C(=O)[O-]	REAL300012549412	1	45	0.0	-71.83	352.96	8.11	-63.72
CCN(C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(C)C(=O)[O-]	REAL300012549412	1	45	0.0	-72.67	354.21	8.20	-64.47
O=C([O-])CN(C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C1CCCC1	REAL300012549413	1	49	0.0	-57.66	379.53	9.65	-48.01
O=C([O-])CN(C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C1CCCC1	REAL300012549413	1	49	0.0	-57.59	379.51	9.65	-47.94
CC(CN(C)C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549414	1	45	0.0	-77.92	356.47	7.77	-70.15
CC(CN(C)C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549414	1	45	0.0	-80.95	356.81	7.98	-72.97
CC[C@H](C)[C@H](NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549415	1	48	0.0	-74.24	374.83	7.21	-67.03
CC[C@H](C)[C@H](NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549415	1	48	0.0	-75.64	376.48	7.23	-68.41
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549416	1	45	0.0	-72.42	355.63	8.42	-64.00
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549416	1	45	0.0	-72.91	355.67	8.26	-64.65
O=C([O-])C1(NC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CC(CO)C1	REAL300012549417	1	47	0.0	-78.76	378.58	4.26	-74.50
O=C([O-])C1(NC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CC(CO)C1	REAL300012549417	1	47	0.0	-83.56	376.62	4.17	-79.39
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549418	1	55	0.0	-75.19	424.99	7.49	-67.70
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549418	1	55	0.0	-75.06	424.99	7.49	-67.57
CC1CCC(NC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)(C(=O)[O-])C1	REAL300012549419	1	49	0.0	-77.55	381.31	7.95	-69.60
CC1CCC(NC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)(C(=O)[O-])C1	REAL300012549419	1	49	0.0	-77.55	381.44	7.93	-69.62
CC1(C)CCCC1(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549420	1	52	0.0	-77.68	390.79	8.74	-68.94
CC1(C)CCCC1(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549420	1	52	0.0	-77.55	390.83	8.72	-68.83
COCCC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549421	1	46	0.0	-74.70	378.68	5.40	-69.30
COCCC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549421	1	46	0.0	-74.49	378.10	5.34	-69.15
CN(C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012549422	1	52	0.0	-75.77	414.20	11.25	-64.52
CN(C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012549422	1	52	0.0	-75.28	414.26	11.34	-63.94
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CC1(C)CCN(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C1C(=O)[O-]	REAL300012549476	1	49	0.0	-81.20	378.92	9.12	-72.08
CC1(C)CCN(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C1C(=O)[O-]	REAL300012549476	1	49	0.0	-81.09	378.89	9.12	-71.97
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CC(C)CCC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549479	1	51	0.0	-74.30	405.57	8.40	-65.90
CC(C)CCC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549479	1	51	0.0	-74.41	405.57	8.40	-66.01
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CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300012549482	1	47	0.0	-78.66	387.32	9.36	-69.30
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O=C([O-])C1(NC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CCC2CC21	REAL300012549484	1	47	0.0	-79.36	367.74	8.21	-71.15
O=C([O-])C1(NC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CC2(CCC2)C1	REAL300012549485	1	50	0.0	-77.17	388.75	8.61	-68.56
O=C([O-])C1(NC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CC2(CCC2)C1	REAL300012549485	1	50	0.0	-77.30	388.99	8.61	-68.69
CN(C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012549486	1	52	0.0	-74.63	412.25	11.21	-63.42
CN(C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012549486	1	52	0.0	-75.36	414.26	11.34	-64.02
O=C([O-])C1CC2(CN1C(=O)NCC[N@@H+]1CCC3=C(C=CS3)C1)CCCCC2	REAL300012549487	1	56	0.0	-52.45	420.80	10.61	-41.84
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CO[C@H](C)[C@H](NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549489	1	46	0.0	-75.91	375.23	5.51	-70.40
CO[C@H](C)[C@H](NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549489	1	46	0.0	-75.38	375.11	5.57	-69.81
CC1[C@@H](C)[C@@]1(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549490	1	46	0.0	-77.02	359.42	7.52	-69.50
CC1[C@@H](C)[C@@]1(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549490	1	46	0.0	-79.23	364.40	7.82	-71.41
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CCOCC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549503	1	46	0.0	-76.42	378.97	5.48	-70.94
CC(C)(C)CC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549504	1	51	0.0	-74.64	395.22	8.68	-65.96
CC(C)(C)CC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549504	1	51	0.0	-74.55	395.24	8.69	-65.86
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C[C@H]1OCCN(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)[C@@H]1C(=O)[O-]	REAL300012549507	1	47	0.0	-80.70	366.02	7.50	-73.20
C[C@H]1OCCN(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)[C@@H]1C(=O)[O-]	REAL300012549507	1	47	0.0	-80.73	366.02	7.50	-73.23
N#CCCC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549508	1	43	0.0	-76.99	366.10	6.77	-70.22
N#CCCC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012549508	1	43	0.0	-77.02	366.11	6.78	-70.24
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549509	1	46	0.0	-59.60	383.84	9.22	-50.38
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549509	1	46	0.0	-60.56	378.24	8.98	-51.58
C[C@H](C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300012549510	1	42	0.0	-71.32	335.77	7.23	-64.09
C[C@H](C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300012549510	1	42	0.0	-71.29	336.28	7.33	-63.96
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300012549511	1	50	0.0	-81.12	399.84	7.86	-73.26
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300012549511	1	50	0.0	-77.46	398.31	8.22	-69.24
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300012549512	0	53	0.0	-79.28	411.35	8.79	-70.49
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300012549512	1	53	0.0	-74.40	411.59	8.72	-65.68
C=CCOCC(NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549513	0	52	0.0	-81.12	419.51	7.21	-73.91
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C=CC(C)C(NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549514	0	51	0.0	-72.77	404.43	8.58	-64.19
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CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300012549515	0	55	0.0	-82.53	417.40	7.28	-75.25
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300012549515	1	55	0.0	-77.51	417.38	7.22	-70.29
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300012549516	0	51	0.0	-74.31	421.73	9.63	-64.68
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300012549516	1	51	0.0	-74.44	421.72	9.62	-64.82
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC(OC)CC2C(=O)[O-])=C1	REAL300012549517	0	55	0.0	-87.54	414.94	9.35	-78.19
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC(OC)CC2C(=O)[O-])=C1	REAL300012549517	1	55	0.0	-85.77	414.90	9.34	-76.43
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)=C1	REAL300012549518	0	55	0.0	-72.47	416.78	7.32	-65.15
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)=C1	REAL300012549518	1	55	0.0	-72.31	416.77	7.31	-65.00
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC(C)CC2C(=O)[O-])=C1	REAL300012549519	0	54	0.0	-87.56	397.14	10.97	-76.59
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC(C)CC2C(=O)[O-])=C1	REAL300012549519	1	54	0.0	-90.66	397.10	10.96	-79.70
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)=C1	REAL300012549520	0	54	0.0	-76.56	435.53	10.27	-66.29
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)=C1	REAL300012549520	1	54	0.0	-76.89	435.17	10.22	-66.67
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300012549521	0	56	0.0	-75.40	444.72	9.42	-65.98
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300012549521	1	56	0.0	-75.14	444.72	9.43	-65.71
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012549522	0	57	0.0	-77.29	451.89	10.82	-66.47
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300012549522	1	57	0.0	-76.66	451.64	10.91	-65.75
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=C1	REAL300012549523	0	57	0.0	-81.09	446.84	10.72	-70.37
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=C1	REAL300012549523	1	57	0.0	-81.51	446.84	10.72	-70.79
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)=C1	REAL300012549524	0	57	0.0	-80.24	438.09	10.52	-69.72
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)=C1	REAL300012549524	1	57	0.0	-76.21	441.92	10.64	-65.57
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1	REAL300012549525	0	50	0.0	-66.98	392.32	10.00	-56.98
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1	REAL300012549525	1	50	0.0	-67.09	392.32	10.01	-57.08
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)=C1	REAL300012549526	0	54	0.0	-60.68	405.08	10.34	-50.34
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)=C1	REAL300012549526	1	54	0.0	-58.39	405.36	10.40	-47.99
CCCN(C(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(COC)C(=O)[O-]	REAL300012549527	0	57	0.0	-80.38	434.15	10.94	-69.44
CCCN(C(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(COC)C(=O)[O-]	REAL300012549527	1	57	0.0	-80.39	435.17	10.94	-69.45
CCCN(C(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(CC)C(=O)[O-]	REAL300012549528	0	56	0.0	-65.48	415.76	11.62	-53.86
CCCN(C(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(CC)C(=O)[O-]	REAL300012549528	1	56	0.0	-77.64	419.43	11.05	-66.59
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300012549529	0	50	0.0	-73.28	384.33	7.84	-65.44
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300012549529	1	50	0.0	-73.73	384.33	7.83	-65.90
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCCCC2C(=O)[O-])=C1	REAL300012549530	0	51	0.0	-87.17	383.01	10.61	-76.56
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCCCC2C(=O)[O-])=C1	REAL300012549530	1	51	0.0	-87.88	382.97	10.63	-77.25
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300012549531	0	51	0.0	-76.78	425.76	10.03	-66.75
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300012549531	1	51	0.0	-76.58	425.15	10.04	-66.54
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCSCC2C(=O)[O-])=C1	REAL300012549532	0	49	0.0	-82.98	382.80	10.47	-72.51
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCSCC2C(=O)[O-])=C1	REAL300012549532	1	49	0.0	-82.64	382.80	10.48	-72.16
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300012549533	0	54	0.0	-83.93	402.43	9.64	-74.29
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300012549533	1	54	0.0	-84.04	402.40	9.64	-74.40
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCCC2C(=O)[O-])=C1	REAL300012549534	0	48	0.0	-85.78	371.66	9.34	-76.44
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCCC2C(=O)[O-])=C1	REAL300012549534	1	48	0.0	-87.25	371.66	9.34	-77.91
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300012549535	0	51	0.0	-83.69	387.93	8.54	-75.15
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300012549535	1	51	0.0	-83.87	387.89	8.53	-75.34
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300012549536	0	57	0.0	-84.80	408.10	10.31	-74.49
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300012549536	1	57	0.0	-84.89	408.06	10.30	-74.59
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012549537	0	54	0.0	-75.03	431.08	10.51	-64.52
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012549537	1	54	0.0	-75.92	431.31	10.44	-65.48
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012549538	0	54	0.0	-67.24	429.82	12.25	-54.99
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012549538	1	54	0.0	-67.15	429.81	12.24	-54.91
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012549539	0	51	0.0	-76.38	409.04	9.49	-66.89
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012549539	1	51	0.0	-76.31	409.06	9.50	-66.81
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012549540	0	51	0.0	-80.79	409.03	9.51	-71.28
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012549540	1	51	0.0	-80.55	408.42	9.52	-71.03
CCC(NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549541	0	47	0.0	-79.16	372.05	7.44	-71.72
CCC(NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549541	1	47	0.0	-79.68	372.89	7.44	-72.24
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300012549542	0	50	0.0	-73.28	384.33	7.84	-65.44
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300012549542	1	50	0.0	-73.73	384.33	7.83	-65.90
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012549543	0	54	0.0	-75.03	431.08	10.51	-64.52
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012549543	1	54	0.0	-75.92	431.31	10.44	-65.48
CCC(C)C(NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549544	0	53	0.0	-79.20	405.08	8.59	-70.61
CCC(C)C(NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549544	1	53	0.0	-81.05	407.87	8.64	-72.41
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCCCC2C(=O)[O-])=C1	REAL300012549545	0	51	0.0	-87.17	383.01	10.61	-76.56
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCCCC2C(=O)[O-])=C1	REAL300012549545	1	51	0.0	-87.88	382.97	10.63	-77.25
CCCC(C)(NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549546	0	53	0.0	-81.10	398.52	8.56	-72.54
CCCC(C)(NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549546	1	53	0.0	-80.95	398.53	8.56	-72.39
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300012549547	0	50	0.0	-67.67	380.94	9.53	-58.14
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300012549547	1	50	0.0	-67.61	380.94	9.51	-58.10
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300012549548	0	48	0.0	-74.08	375.76	9.64	-64.44
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300012549548	1	48	0.0	-74.49	375.75	9.63	-64.86
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1	REAL300012549549	0	48	0.0	-66.71	383.63	9.81	-56.90
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1	REAL300012549549	1	48	0.0	-66.68	383.63	9.81	-56.87
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300012549550	0	53	0.0	-67.11	406.98	10.52	-56.59
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300012549550	1	53	0.0	-67.11	406.98	10.51	-56.60
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300012549551	0	55	0.0	-87.07	420.61	12.49	-74.58
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300012549551	1	55	0.0	-87.32	420.59	12.49	-74.83
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C)(C)C(=O)[O-])=C1	REAL300012549552	0	47	0.0	-63.36	363.64	6.81	-56.55
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C)(C)C(=O)[O-])=C1	REAL300012549552	1	47	0.0	-63.56	363.63	6.80	-56.76
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300012549553	0	51	0.0	-76.40	386.52	8.54	-67.86
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300012549553	1	51	0.0	-76.91	386.52	8.55	-68.36
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)=C1	REAL300012549554	0	48	0.0	-74.01	400.44	8.66	-65.35
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)=C1	REAL300012549554	1	48	0.0	-73.68	400.44	8.66	-65.02
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300012549555	0	54	0.0	-83.93	402.43	9.64	-74.29
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300012549555	1	54	0.0	-84.04	402.40	9.64	-74.40
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300012549556	0	50	0.0	-67.67	380.94	9.53	-58.14
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300012549556	1	50	0.0	-67.61	380.94	9.51	-58.10
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1	REAL300012549557	0	50	0.0	-66.98	392.32	10.00	-56.98
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1	REAL300012549557	1	50	0.0	-67.09	392.32	10.01	-57.08
CCN(CC(=O)[O-])C(=O)NCC1=CC(C[N@H+](C)CC)=CC=C1	REAL300012549558	0	47	0.0	-73.65	370.81	9.24	-64.41
CCN(CC(=O)[O-])C(=O)NCC1=CC(C[N@@H+](C)CC)=CC=C1	REAL300012549558	1	47	0.0	-73.24	370.83	9.25	-63.99
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549559	0	53	0.0	-79.88	402.47	8.37	-71.51
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549559	1	53	0.0	-79.67	403.41	8.43	-71.24
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300012549560	0	51	0.0	-83.69	387.93	8.54	-75.15
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300012549560	1	51	0.0	-83.87	387.89	8.53	-75.34
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1	REAL300012549561	0	54	0.0	-65.63	436.22	12.32	-53.31
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1	REAL300012549561	1	54	0.0	-64.47	436.22	12.31	-52.16
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C)(CC)C(=O)[O-])=C1	REAL300012549562	0	50	0.0	-80.60	377.03	7.81	-72.79
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C)(CC)C(=O)[O-])=C1	REAL300012549562	1	50	0.0	-80.62	377.03	7.80	-72.82
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=C1	REAL300012549563	0	55	0.0	-78.48	427.01	10.68	-67.80
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=C1	REAL300012549563	1	55	0.0	-78.08	427.00	10.69	-67.39
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300012549564	0	51	0.0	-80.55	419.84	9.66	-70.89
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300012549564	1	51	0.0	-80.19	419.09	9.65	-70.54
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012549565	0	54	0.0	-82.34	416.85	10.28	-72.06
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012549565	1	54	0.0	-82.42	416.85	10.28	-72.14
CCN(CC(=O)[O-])C(=O)NCC1=CC(C[N@H+](C)CC)=CC=C1	REAL300012549566	0	47	0.0	-73.65	370.81	9.24	-64.41
CCN(CC(=O)[O-])C(=O)NCC1=CC(C[N@@H+](C)CC)=CC=C1	REAL300012549566	1	47	0.0	-73.24	370.83	9.25	-63.99
CCCCCCC(C)(NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549567	0	62	0.0	-81.33	463.01	10.89	-70.44
CCCCCCC(C)(NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549567	1	62	0.0	-81.27	463.03	10.90	-70.37
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012549568	0	57	0.0	-71.52	440.40	12.48	-59.04
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012549568	1	57	0.0	-72.05	439.87	12.36	-59.69
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC2)=C1	REAL300012549569	0	45	0.0	-84.42	357.21	7.62	-76.80
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC2)=C1	REAL300012549569	1	45	0.0	-81.10	357.21	7.62	-73.48
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300012549570	0	51	0.0	-76.78	425.76	10.03	-66.75
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300012549570	1	51	0.0	-76.58	425.15	10.04	-66.54
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCOCC2C(=O)[O-])=C1	REAL300012549571	0	49	0.0	-83.46	374.15	7.94	-75.52
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCOCC2C(=O)[O-])=C1	REAL300012549571	1	49	0.0	-85.41	374.15	7.94	-77.47
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)=C1	REAL300012549572	0	57	0.0	-85.89	411.67	10.95	-74.94
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)=C1	REAL300012549572	1	57	0.0	-79.50	411.67	10.95	-68.55
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CC[N@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)=C1	REAL300012549639	0	55	0.0	-68.14	415.61	9.15	-58.99
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)=C1	REAL300012549639	1	55	0.0	-59.61	415.60	9.15	-50.46
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CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])=C1	REAL300012549649	1	58	0.0	-75.37	460.77	9.74	-65.63
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=C1	REAL300012549650	0	60	0.0	-79.55	430.32	10.51	-69.04
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=C1	REAL300012549650	1	60	0.0	-80.46	430.32	10.51	-69.95
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300012549651	0	49	0.0	-88.62	378.99	9.98	-78.64
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300012549651	1	49	0.0	-86.97	376.70	9.97	-77.00
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CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC(OC)CC2(C)C(=O)[O-])=C1	REAL300012549652	1	55	0.0	-80.59	422.04	8.86	-71.73
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])=C1	REAL300012549653	0	58	0.0	-74.49	444.28	8.26	-66.23
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])=C1	REAL300012549653	1	58	0.0	-78.93	444.28	8.26	-70.67
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300012549654	0	53	0.0	-80.50	403.68	8.53	-71.97
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300012549654	1	53	0.0	-80.16	402.07	8.54	-71.62
C=C(Cl)CC(NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549655	0	48	0.0	-80.15	401.33	8.50	-71.65
C=C(Cl)CC(NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549655	1	48	0.0	-80.07	401.32	8.50	-71.57
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CC[N@H+](C)CC1=CC=CC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300012549657	0	52	0.0	-88.37	391.45	10.80	-77.57
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300012549657	1	52	0.0	-93.97	393.76	10.78	-83.19
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CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300012549658	1	48	0.0	-74.44	384.62	9.51	-64.93
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CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300012549659	1	48	0.0	-83.04	378.14	9.44	-73.60
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C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[N@H+](C)CC)=C2)C1	REAL300012549660	1	49	0.0	-85.85	385.83	9.43	-76.42
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300012549661	0	58	0.0	-74.87	444.11	8.30	-66.57
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300012549661	1	58	0.0	-80.52	444.11	8.30	-72.22
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300012549662	0	53	0.0	-79.28	411.35	8.79	-70.49
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300012549662	1	53	0.0	-74.40	411.59	8.72	-65.68
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300012549663	0	55	0.0	-82.53	417.40	7.28	-75.25
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300012549663	1	55	0.0	-77.51	417.38	7.22	-70.29
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012549664	0	51	0.0	-80.79	409.03	9.51	-71.28
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012549664	1	51	0.0	-80.55	408.42	9.52	-71.03
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300012549665	0	51	0.0	-78.70	404.26	9.03	-69.67
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300012549665	1	51	0.0	-79.67	404.49	8.98	-70.69
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])=C1	REAL300012549666	0	50	0.0	-74.23	417.82	7.63	-66.60
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])=C1	REAL300012549666	1	50	0.0	-79.53	417.82	7.63	-71.90
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CCCC(C)C)C(=O)[O-])=C1	REAL300012549667	0	59	0.0	-79.85	454.96	10.28	-69.57
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CCCC(C)C)C(=O)[O-])=C1	REAL300012549667	1	59	0.0	-79.34	454.12	10.27	-69.07
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])=C1	REAL300012549668	0	55	0.0	-78.52	428.84	7.87	-70.65
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])=C1	REAL300012549668	1	55	0.0	-78.63	428.83	7.87	-70.76
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CSC)C(=O)[O-])=C1	REAL300012549669	0	48	0.0	-76.72	396.37	7.85	-68.87
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CSC)C(=O)[O-])=C1	REAL300012549669	1	48	0.0	-76.23	395.68	7.86	-68.37
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300012549670	0	48	0.0	-80.66	384.75	5.67	-74.99
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300012549670	1	48	0.0	-81.15	384.74	5.66	-75.49
CC[C@H](NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549671	0	47	0.0	-79.15	372.05	7.44	-71.71
CC[C@H](NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549671	1	47	0.0	-79.01	372.89	7.42	-71.59
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012549672	0	54	0.0	-73.65	437.68	10.52	-63.13
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012549672	1	54	0.0	-74.01	437.72	10.51	-63.50
CCC(C)CC(NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549673	0	56	0.0	-80.25	429.82	9.39	-70.86
CCC(C)CC(NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549673	1	56	0.0	-80.32	429.82	9.39	-70.93
C=CCCCC(NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549674	0	54	0.0	-78.80	427.87	9.55	-69.25
C=CCCCC(NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549674	1	54	0.0	-78.81	427.86	9.55	-69.26
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012549675	0	54	0.0	-77.78	436.84	10.52	-67.26
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300012549675	1	54	0.0	-79.57	437.67	10.51	-69.06
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCSCC2C(=O)[O-])=C1	REAL300012549676	0	49	0.0	-82.98	382.80	10.47	-72.51
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCSCC2C(=O)[O-])=C1	REAL300012549676	1	49	0.0	-82.64	382.80	10.48	-72.16
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012549677	0	54	0.0	-82.34	416.85	10.28	-72.06
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012549677	1	54	0.0	-82.42	416.85	10.28	-72.14
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300012549678	0	48	0.0	-81.11	372.42	9.03	-72.08
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300012549678	1	48	0.0	-81.90	372.42	9.01	-72.89
CCCC(NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549679	0	50	0.0	-79.63	394.38	8.20	-71.43
CCCC(NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549679	1	50	0.0	-79.66	394.39	8.20	-71.46
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012549680	0	50	0.0	-73.27	384.33	7.84	-65.43
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012549680	1	50	0.0	-74.45	389.92	8.00	-66.45
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=C1	REAL300012549681	0	52	0.0	-88.59	393.34	10.89	-77.70
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=C1	REAL300012549681	1	52	0.0	-90.60	393.30	10.90	-79.70
CCN(C(=O)NCC1=CC(C[N@H+](C)CC)=CC=C1)C(C)(C)C(=O)[O-]	REAL300012549682	0	53	0.0	-78.90	397.57	10.18	-68.72
CCN(C(=O)NCC1=CC(C[N@@H+](C)CC)=CC=C1)C(C)(C)C(=O)[O-]	REAL300012549682	1	53	0.0	-78.54	397.57	10.19	-68.35
CCCN(C(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(C)C(=O)[O-]	REAL300012549683	0	53	0.0	-64.39	403.17	10.88	-53.51
CCCN(C(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(C)C(=O)[O-]	REAL300012549683	1	53	0.0	-64.61	403.56	10.83	-53.78
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=C1	REAL300012549684	0	47	0.0	-69.88	385.44	9.75	-60.13
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=C1	REAL300012549684	1	47	0.0	-70.21	385.43	9.74	-60.47
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=C1	REAL300012549685	0	47	0.0	-69.88	385.44	9.75	-60.13
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=C1	REAL300012549685	1	47	0.0	-70.21	385.43	9.74	-60.47
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300012549686	0	50	0.0	-78.42	378.13	9.32	-69.10
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300012549686	1	50	0.0	-78.76	378.12	9.32	-69.44
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300012549687	0	48	0.0	-86.23	372.37	9.05	-77.18
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300012549687	1	48	0.0	-85.97	372.37	9.06	-76.91
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])=C1	REAL300012549688	0	60	0.0	-68.72	459.16	7.73	-60.99
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])=C1	REAL300012549688	1	60	0.0	-67.65	459.16	7.72	-59.93
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=C1	REAL300012549689	0	49	0.0	-82.90	385.06	5.53	-77.37
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=C1	REAL300012549689	1	49	0.0	-88.77	385.06	5.53	-83.24
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=C1	REAL300012549690	0	55	0.0	-67.46	425.96	12.35	-55.11
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])=C1	REAL300012549690	1	55	0.0	-58.59	425.91	12.38	-46.21
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])=C1	REAL300012549691	0	58	0.0	-64.50	435.54	12.51	-51.99
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])=C1	REAL300012549691	1	58	0.0	-64.75	435.51	12.49	-52.26
CCC[C@@H](NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549692	0	50	0.0	-73.67	394.38	8.19	-65.48
CCC[C@@H](NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549692	1	50	0.0	-74.01	394.39	8.20	-65.81
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300012549693	0	56	0.0	-72.09	428.76	10.65	-61.44
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300012549693	1	56	0.0	-77.88	428.84	10.68	-67.20
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012549694	0	51	0.0	-76.38	409.04	9.49	-66.89
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012549694	1	51	0.0	-76.31	409.06	9.50	-66.81
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=C1	REAL300012549695	0	56	0.0	-75.31	449.18	9.45	-65.86
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=C1	REAL300012549695	1	56	0.0	-75.25	448.93	9.50	-65.75
C=CCCC(NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549696	0	51	0.0	-79.08	407.20	8.76	-70.32
C=CCCC(NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549696	1	51	0.0	-79.04	407.20	8.76	-70.28
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300012549697	0	50	0.0	-77.01	417.83	7.45	-69.56
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300012549697	1	50	0.0	-77.26	417.83	7.44	-69.82
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])=C1	REAL300012549698	0	51	0.0	-92.26	402.15	6.90	-85.36
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])=C1	REAL300012549698	1	51	0.0	-95.21	402.15	6.90	-88.31
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])=C1	REAL300012549699	0	52	0.0	-77.78	399.72	8.63	-69.15
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])=C1	REAL300012549699	1	52	0.0	-77.81	399.91	8.59	-69.22
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300012549700	0	51	0.0	-85.97	388.80	9.90	-76.07
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300012549700	1	51	0.0	-81.25	388.75	9.88	-71.37
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300012549701	0	50	0.0	-78.75	387.07	7.97	-70.78
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300012549701	1	50	0.0	-78.64	387.07	7.96	-70.68
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012549702	0	51	0.0	-80.18	408.42	9.53	-70.65
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012549702	1	51	0.0	-79.95	408.42	9.54	-70.41
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=C1	REAL300012549703	0	54	0.0	-78.53	418.50	8.82	-69.71
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=C1	REAL300012549703	1	54	0.0	-81.97	422.86	8.87	-73.10
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300012549704	0	47	0.0	-74.24	362.85	8.44	-65.80
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300012549704	1	47	0.0	-74.50	362.84	8.43	-66.07
CCC[C@H](NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549705	0	50	0.0	-79.19	393.55	8.21	-70.98
CCC[C@H](NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549705	1	50	0.0	-79.27	393.56	8.20	-71.07
CCN(C(=O)NCC1=CC(C[N@H+](C)CC)=CC=C1)C(C)C(=O)[O-]	REAL300012549706	0	50	0.0	-76.59	381.73	9.37	-67.22
CCN(C(=O)NCC1=CC(C[N@@H+](C)CC)=CC=C1)C(C)C(=O)[O-]	REAL300012549706	1	50	0.0	-76.67	381.86	9.35	-67.32
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300012549707	0	54	0.0	-67.77	407.15	10.82	-56.95
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300012549707	1	54	0.0	-66.44	407.15	10.81	-55.63
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300012549708	0	50	0.0	-75.59	383.25	8.91	-66.68
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300012549708	1	50	0.0	-75.89	384.11	8.92	-66.97
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549709	0	53	0.0	-79.88	402.47	8.37	-71.51
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549709	1	53	0.0	-79.67	403.41	8.43	-71.24
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1	REAL300012549710	0	50	0.0	-75.52	383.31	9.43	-66.09
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1	REAL300012549710	1	50	0.0	-75.07	383.32	9.42	-65.65
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)=C1	REAL300012549711	0	52	0.0	-80.44	406.28	5.43	-75.01
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)=C1	REAL300012549711	1	52	0.0	-84.19	406.28	5.43	-78.76
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=C1	REAL300012549712	0	60	0.0	-81.70	456.16	8.72	-72.98
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)=C1	REAL300012549712	1	60	0.0	-82.75	456.89	8.70	-74.05
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)=C1	REAL300012549713	0	54	0.0	-78.83	408.96	9.17	-69.66
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)=C1	REAL300012549713	1	54	0.0	-84.07	408.95	9.16	-74.91
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)=C1	REAL300012549714	0	57	0.0	-79.01	418.42	9.89	-69.12
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)=C1	REAL300012549714	1	57	0.0	-79.18	416.82	9.79	-69.39
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CCOC)C(=O)[O-])=C1	REAL300012549715	0	51	0.0	-79.67	406.57	6.50	-73.17
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CCOC)C(=O)[O-])=C1	REAL300012549715	1	51	0.0	-79.64	406.56	6.49	-73.15
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012549716	0	57	0.0	-71.52	440.40	12.48	-59.04
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012549716	1	57	0.0	-72.05	439.87	12.36	-59.69
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300012549717	0	54	0.0	-84.98	410.48	9.85	-75.13
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300012549717	1	54	0.0	-79.95	410.43	9.86	-70.09
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300012549718	0	51	0.0	-80.19	401.62	8.55	-71.64
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300012549718	1	51	0.0	-76.51	396.49	8.78	-67.73
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=C1	REAL300012549719	0	60	0.0	-75.74	456.68	8.70	-67.04
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)=C1	REAL300012549719	1	60	0.0	-76.08	456.94	8.64	-67.44
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=C1	REAL300012549720	0	49	0.0	-92.10	382.30	5.82	-86.28
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=C1	REAL300012549720	1	49	0.0	-92.33	382.33	5.82	-86.51
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOC2)=C1	REAL300012549721	0	52	0.0	-77.26	407.42	6.57	-70.69
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOC2)=C1	REAL300012549721	1	52	0.0	-77.96	405.12	6.47	-71.49
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=C1	REAL300012549722	0	52	0.0	-84.97	393.28	10.50	-74.47
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=C1	REAL300012549722	1	52	0.0	-89.65	393.50	10.47	-79.18
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300012549723	0	55	0.0	-86.91	440.58	9.57	-77.34
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300012549723	1	55	0.0	-87.74	440.58	9.56	-78.18
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)=C1	REAL300012549724	0	50	0.0	-84.39	385.81	8.24	-76.15
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CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCCC2(CC)C(=O)[O-])=C1	REAL300012549744	0	54	0.0	-81.12	404.55	11.03	-70.09
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CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300012549746	0	55	0.0	-75.80	426.45	7.51	-68.29
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CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300012549750	0	53	0.0	-75.31	391.95	8.43	-66.88
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300012549750	1	53	0.0	-76.35	393.76	8.49	-67.86
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012549751	0	49	0.0	-88.84	378.93	10.56	-78.28
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012549751	1	49	0.0	-90.27	378.92	10.55	-79.72
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012549752	0	52	0.0	-87.79	395.17	10.12	-77.67
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CC[N@H+](C)CC1=CC=CC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=C1	REAL300012549753	0	57	0.0	-49.91	441.36	13.29	-36.62
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])=C1	REAL300012549753	1	57	0.0	-50.87	440.52	13.35	-37.52
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300012549754	0	60	0.0	-80.06	453.27	10.63	-69.43
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CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])=C1	REAL300012549773	1	50	0.0	-65.40	387.73	10.16	-55.24
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])=C1	REAL300012549774	0	54	0.0	-81.60	404.01	10.29	-71.31
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])=C1	REAL300012549774	1	54	0.0	-81.96	403.97	10.28	-71.68
CCOC1=CC=C(C(NC(=O)NCC2=CC=CC(C[N@H+](C)CC)=C2)C(=O)[O-])C=C1	REAL300012549775	0	58	0.0	-75.43	460.16	9.79	-65.64
CCOC1=CC=C(C(NC(=O)NCC2=CC=CC(C[N@@H+](C)CC)=C2)C(=O)[O-])C=C1	REAL300012549775	1	58	0.0	-79.61	460.16	9.79	-69.82
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])=C1	REAL300012549776	0	58	0.0	-85.62	428.19	12.00	-73.62
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])=C1	REAL300012549776	1	58	0.0	-88.12	428.18	12.00	-76.12
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300012549777	0	58	0.0	-76.13	451.17	11.49	-64.64
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300012549777	1	58	0.0	-81.29	451.17	11.49	-69.80
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012549778	0	58	0.0	-86.77	451.49	10.55	-76.22
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012549778	1	58	0.0	-86.76	451.48	10.54	-76.22
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CCC(C)C)C(=O)[O-])=C1	REAL300012549779	0	56	0.0	-79.99	433.46	9.50	-70.49
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CCC(C)C)C(=O)[O-])=C1	REAL300012549779	1	56	0.0	-79.96	433.45	9.49	-70.47
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])=C1	REAL300012549780	0	55	0.0	-67.24	418.56	10.84	-56.40
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])=C1	REAL300012549780	1	55	0.0	-53.48	418.52	10.84	-42.64
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300012549781	0	55	0.0	-75.80	426.45	7.51	-68.29
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])=C1	REAL300012549781	1	55	0.0	-75.94	426.45	7.50	-68.44
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])=C1	REAL300012549782	0	52	0.0	-78.96	415.87	10.30	-68.66
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])=C1	REAL300012549782	1	52	0.0	-79.27	415.89	10.30	-68.97
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)=C1	REAL300012549783	0	55	0.0	-86.34	408.25	10.27	-76.07
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)=C1	REAL300012549783	1	55	0.0	-87.85	408.25	10.27	-77.58
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)=C1	REAL300012549784	0	52	0.0	-85.67	395.38	9.36	-76.31
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)=C1	REAL300012549784	1	52	0.0	-85.55	395.38	9.37	-76.18
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300012549785	0	55	0.0	-83.62	416.67	9.76	-73.86
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300012549785	1	55	0.0	-83.68	416.64	9.75	-73.93
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012549786	0	57	0.0	-72.49	441.83	12.50	-59.99
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012549786	1	57	0.0	-72.06	439.87	12.36	-59.70
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=C1	REAL300012549787	0	61	0.0	-67.13	447.62	11.82	-55.31
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=C1	REAL300012549787	1	61	0.0	-53.21	447.58	11.82	-41.39
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCC2)=C1	REAL300012549788	0	54	0.0	-74.88	409.05	9.01	-65.87
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCC2)=C1	REAL300012549788	1	54	0.0	-75.37	409.36	8.92	-66.45
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300012549789	0	51	0.0	-80.79	402.41	6.67	-74.12
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300012549789	1	51	0.0	-80.73	402.40	6.66	-74.07
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300012549790	0	51	0.0	-85.81	395.88	9.18	-76.63
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300012549790	1	51	0.0	-85.99	395.88	9.17	-76.82
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012549791	0	54	0.0	-67.24	429.82	12.25	-54.99
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=C1	REAL300012549791	1	54	0.0	-67.15	429.81	12.24	-54.91
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])=C1	REAL300012549792	0	54	0.0	-67.32	411.50	10.14	-57.18
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])=C1	REAL300012549792	1	54	0.0	-67.35	411.47	10.13	-57.22
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])=C1	REAL300012549793	0	51	0.0	-83.22	393.82	10.45	-72.77
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])=C1	REAL300012549793	1	51	0.0	-85.55	393.82	10.44	-75.11
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])=C1	REAL300012549794	0	48	0.0	-82.45	383.36	9.48	-72.97
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])=C1	REAL300012549794	1	48	0.0	-82.89	383.31	9.48	-73.41
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300012549795	0	54	0.0	-76.51	437.46	10.56	-65.95
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300012549795	1	54	0.0	-82.22	437.46	10.57	-71.65
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012549796	0	51	0.0	-73.91	421.91	9.43	-64.48
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012549796	1	51	0.0	-79.07	421.91	9.44	-69.63
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=C1	REAL300012549797	0	51	0.0	-77.65	400.84	10.00	-67.65
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=C1	REAL300012549797	1	51	0.0	-73.17	400.83	10.01	-63.16
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=C1	REAL300012549798	0	55	0.0	-80.58	436.08	10.18	-70.40
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)=C1	REAL300012549798	1	55	0.0	-79.50	436.09	10.18	-69.32
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012549799	0	51	0.0	-73.91	421.91	9.43	-64.48
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])=C1	REAL300012549799	1	51	0.0	-79.07	421.91	9.44	-69.63
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012549800	0	55	0.0	-88.48	410.35	10.45	-78.03
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012549800	1	55	0.0	-88.66	410.38	10.44	-78.22
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CCCOC)C(=O)[O-])=C1	REAL300012549801	0	54	0.0	-78.65	428.07	7.27	-71.38
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CCCOC)C(=O)[O-])=C1	REAL300012549801	1	54	0.0	-78.72	428.06	7.26	-71.46
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1	REAL300012549802	0	53	0.0	-75.55	404.77	10.36	-65.19
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1	REAL300012549802	1	53	0.0	-75.89	404.81	10.20	-65.69
CCOCC(NC(=O)NCC1=CC=CC(C[N@H+](C)CC)=C1)C(=O)[O-]	REAL300012549803	0	51	0.0	-81.58	406.60	6.65	-74.93
CCOCC(NC(=O)NCC1=CC=CC(C[N@@H+](C)CC)=C1)C(=O)[O-]	REAL300012549803	1	51	0.0	-81.45	406.12	6.63	-74.82
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])=C1	REAL300012549804	0	56	0.0	-73.71	423.48	9.89	-63.82
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])=C1	REAL300012549804	1	56	0.0	-74.14	423.48	9.88	-64.26
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)=C1	REAL300012549805	0	55	0.0	-83.27	424.14	7.99	-75.28
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)=C1	REAL300012549805	1	55	0.0	-83.13	423.64	7.96	-75.17
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=C1	REAL300012549806	0	55	0.0	-78.48	427.01	10.68	-67.80
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=C1	REAL300012549806	1	55	0.0	-78.08	427.00	10.69	-67.39
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=C1	REAL300012549807	0	52	0.0	-84.81	394.31	8.93	-75.88
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=C1	REAL300012549807	1	52	0.0	-85.08	394.37	8.92	-76.16
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300012549808	0	48	0.0	-80.33	393.73	7.94	-72.39
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300012549808	1	48	0.0	-80.23	393.77	7.92	-72.31
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)=C1	REAL300012549809	0	51	0.0	-69.12	411.48	10.39	-58.73
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)=C1	REAL300012549809	1	51	0.0	-68.98	411.48	10.39	-58.59
CC[N@H+](C)CC1=CC=CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])=C1	REAL300012549810	0	47	0.0	-69.86	362.84	8.43	-61.43
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])=C1	REAL300012549810	1	47	0.0	-69.34	363.41	8.39	-60.95
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[N@H+](C)CC)=C2)C1	REAL300012549811	0	55	0.0	-77.93	425.95	9.38	-68.55
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[N@@H+](C)CC)=C2)C1	REAL300012549811	1	55	0.0	-81.78	425.96	9.38	-72.40
CC(C)C[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550755	0	59	0.0	-66.38	414.65	8.64	-57.74
C=CCOCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550756	0	58	0.0	-67.53	422.43	7.13	-60.40
C=CC(C)C(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550757	0	57	0.0	-61.29	404.63	8.42	-52.87
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012550758	0	61	0.0	-68.63	419.74	7.20	-61.43
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012550759	0	57	0.0	-58.58	424.05	9.55	-49.03
COC1CCN(C(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C(C(=O)[O-])C1	REAL300012550760	0	61	0.0	-75.69	415.93	9.33	-66.36
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012550761	0	61	0.0	-64.73	420.28	7.15	-57.58
CC1CCN(C(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C(C(=O)[O-])C1	REAL300012550762	0	60	0.0	-74.38	399.44	10.57	-63.81
CC1=CC(C(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C(=O)[O-])=CC=C1F	REAL300012550763	0	60	0.0	-61.26	438.09	10.13	-51.13
CC1=CC(C(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C(=O)[O-])=CC(C)=C1	REAL300012550764	0	63	0.0	-66.36	454.57	10.82	-55.54
CC1=CC=C(C(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C(=O)[O-])C=C1C	REAL300012550765	0	63	0.0	-64.86	449.76	10.63	-54.23
CC1=CC=CC(C(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C(=O)[O-])=C1C	REAL300012550766	0	63	0.0	-64.96	441.97	10.43	-54.53
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550767	0	56	0.0	-47.21	395.14	9.93	-37.28
CC(C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C1CCC1	REAL300012550768	0	60	0.0	-52.16	407.42	10.24	-41.92
CCCN(C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(COC)C(=O)[O-]	REAL300012550769	0	63	0.0	-64.79	431.24	9.47	-55.32
CCCN(C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(CC)C(=O)[O-]	REAL300012550770	0	62	0.0	-63.58	419.83	10.72	-52.86
CC(C)C(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550771	0	56	0.0	-61.94	389.98	7.86	-54.08
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012550772	0	57	0.0	-75.77	385.86	10.48	-65.29
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012550773	0	57	0.0	-61.64	428.67	9.93	-51.71
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012550774	0	55	0.0	-72.96	385.64	10.26	-62.70
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012550775	0	60	0.0	-67.64	405.46	9.54	-58.10
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCCC2C(=O)[O-])C1	REAL300012550776	0	54	0.0	-72.36	374.70	9.24	-63.12
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012550777	0	57	0.0	-70.26	397.69	8.44	-61.82
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012550778	0	63	0.0	-68.57	411.13	10.22	-58.35
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012550779	0	60	0.0	-67.34	434.01	10.40	-56.94
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012550780	0	60	0.0	-47.19	432.63	12.18	-35.01
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012550781	0	57	0.0	-66.11	411.99	9.41	-56.70
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012550782	0	57	0.0	-64.07	411.34	9.43	-54.64
CCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550783	0	53	0.0	-65.26	375.57	7.39	-57.87
CC(C)C(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550784	0	56	0.0	-61.94	389.98	7.86	-54.08
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012550785	0	60	0.0	-67.34	434.01	10.40	-56.94
CCC(C)C(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550786	0	59	0.0	-66.76	410.79	8.53	-58.23
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012550787	0	57	0.0	-75.77	385.86	10.48	-65.29
CCCC(C)(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550788	0	59	0.0	-63.02	401.44	8.46	-54.56
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550789	0	56	0.0	-48.33	383.83	9.43	-38.90
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012550790	0	54	0.0	-48.78	377.11	9.71	-39.07
C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550791	0	54	0.0	-47.03	386.45	9.74	-37.29
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550792	0	59	0.0	-47.09	409.79	10.45	-36.64
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012550793	0	61	0.0	-75.81	430.25	12.34	-63.47
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C)(C)C(=O)[O-])C1	REAL300012550794	0	53	0.0	-54.02	366.56	6.72	-47.30
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012550795	0	57	0.0	-66.94	389.45	8.46	-58.48
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012550796	0	54	0.0	-62.15	402.97	8.51	-53.64
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012550797	0	60	0.0	-67.64	405.46	9.54	-58.10
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550798	0	56	0.0	-48.33	383.83	9.43	-38.90
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550799	0	56	0.0	-47.21	395.14	9.93	-37.28
CCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550800	0	53	0.0	-65.57	372.06	9.10	-56.47
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550801	0	59	0.0	-66.86	407.19	8.30	-58.56
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012550802	0	57	0.0	-70.26	397.69	8.44	-61.82
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012550803	0	60	0.0	-45.33	439.05	12.25	-33.08
CCC(C)(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550804	0	56	0.0	-62.82	379.94	7.70	-55.12
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012550805	0	61	0.0	-68.08	436.80	10.57	-57.51
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012550806	0	57	0.0	-66.23	429.50	9.63	-56.60
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012550807	0	60	0.0	-65.75	419.70	10.20	-55.55
CCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550808	0	53	0.0	-65.57	372.06	9.10	-56.47
CCCCCCC(C)(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550809	0	68	0.0	-63.23	465.94	10.79	-52.44
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012550810	0	63	0.0	-65.63	442.89	12.27	-53.36
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC2)C1	REAL300012550811	0	51	0.0	-69.91	367.01	7.51	-62.40
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012550812	0	57	0.0	-61.64	428.67	9.93	-51.71
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012550813	0	55	0.0	-71.96	377.21	7.85	-64.11
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012550814	0	63	0.0	-69.54	414.45	10.93	-58.61
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012550815	0	54	0.0	-66.92	382.19	7.84	-59.08
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012550816	0	63	0.0	-48.25	455.04	12.96	-35.29
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012550817	0	60	0.0	-63.27	423.21	11.24	-52.03
COCCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550818	0	57	0.0	-47.84	405.01	8.36	-39.48
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012550819	0	61	0.0	-69.27	433.86	10.51	-58.76
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012550820	0	54	0.0	-72.78	375.51	8.93	-63.85
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012550821	0	57	0.0	-75.17	392.18	10.42	-64.75
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550822	0	53	0.0	-60.40	366.47	8.29	-52.11
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012550823	0	54	0.0	-70.66	382.17	8.95	-61.71
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012550824	0	54	0.0	-68.93	377.08	8.05	-60.88
C=CCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550825	0	54	0.0	-65.06	388.85	7.85	-57.21
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012550826	0	57	0.0	-69.49	391.64	9.79	-59.70
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012550827	0	60	0.0	-75.30	405.72	10.70	-64.60
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012550828	0	54	0.0	-66.92	382.19	7.84	-59.08
CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550829	0	53	0.0	-61.46	366.33	8.28	-53.18
CCCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550830	0	59	0.0	-65.68	418.81	8.87	-56.81
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012550831	0	63	0.0	-48.25	455.04	12.96	-35.29
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012550832	0	57	0.0	-73.00	398.23	9.79	-63.21
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012550833	0	60	0.0	-45.99	409.97	10.75	-35.24
COCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550834	0	54	0.0	-66.54	387.54	5.63	-60.91
CCCCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550835	0	62	0.0	-65.17	440.06	9.72	-55.45
CCC1CCC(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)(C(=O)[O-])CC1	REAL300012550836	0	66	0.0	-63.24	438.19	10.07	-53.17
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012550837	0	61	0.0	-50.40	418.67	9.05	-41.35
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012550838	0	60	0.0	-72.89	401.46	10.13	-62.76
CC(C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C1CC1	REAL300012550839	0	57	0.0	-52.45	392.09	9.71	-42.74
CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C1CC1	REAL300012550840	0	60	0.0	-53.15	412.66	10.67	-42.48
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012550841	0	57	0.0	-66.37	429.61	9.86	-56.51
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012550842	0	57	0.0	-71.08	423.25	9.48	-61.60
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012550843	0	61	0.0	-50.62	426.99	11.82	-38.80
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012550844	0	66	0.0	-66.23	455.83	10.62	-55.61
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550845	0	63	0.0	-47.22	446.41	12.62	-34.60
CC1=CC=C(C(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C(=O)[O-])C=C1	REAL300012550846	0	60	0.0	-64.90	433.35	10.08	-54.82
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012550847	0	53	0.0	-59.45	391.50	8.10	-51.35
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012550848	0	58	0.0	-66.79	409.90	9.22	-57.57
COCC(C)(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550849	0	57	0.0	-67.35	398.19	6.99	-60.36
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550850	0	60	0.0	-63.27	418.81	8.72	-54.55
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550851	0	59	0.0	-47.09	409.79	10.45	-36.64
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012550852	0	54	0.0	-48.78	377.11	9.71	-39.07
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012550853	0	56	0.0	-47.32	413.27	10.31	-37.01
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012550854	0	55	0.0	-65.35	388.21	5.84	-59.51
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012550855	0	63	0.0	-67.79	429.54	9.55	-58.24
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012550856	0	64	0.0	-62.79	444.61	10.14	-52.65
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012550857	0	58	0.0	-67.16	403.62	7.04	-60.12
C=CCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550858	0	57	0.0	-65.61	410.12	8.65	-56.96
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CF)C(=O)[O-])C1	REAL300012550859	0	50	0.0	-53.66	357.91	6.31	-47.35
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550860	0	63	0.0	-36.04	440.64	13.15	-22.89
CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550861	0	53	0.0	-61.46	366.33	8.28	-53.18
CCC(CC)(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550862	0	59	0.0	-64.00	396.62	8.58	-55.42
COC1=CC=C(C(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C(=O)[O-])C=C1	REAL300012550863	0	61	0.0	-64.82	441.44	8.70	-56.12
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550864	0	59	0.0	-44.68	406.36	10.70	-33.98
CCC(COC)(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550865	0	60	0.0	-71.33	414.63	7.91	-63.42
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550866	0	63	0.0	-63.33	439.08	9.47	-53.86
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012550867	0	57	0.0	-65.92	414.56	8.82	-57.10
COCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550868	0	57	0.0	-65.67	409.24	6.45	-59.22
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550869	0	62	0.0	-62.51	424.64	10.69	-51.82
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012550870	0	53	0.0	-65.68	388.16	7.61	-58.07
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550871	0	63	0.0	-75.38	426.52	11.74	-63.64
CCCN(C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(C)C(=O)[O-]	REAL300012550872	0	59	0.0	-68.03	408.05	10.69	-57.34
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550873	0	63	0.0	-38.05	437.92	12.75	-25.30
CCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012550874	0	63	0.0	-67.85	436.74	11.09	-56.76
COC1CCCC(C(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C(=O)[O-])C1	REAL300012550875	0	67	0.0	-71.04	461.32	8.61	-62.43
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012550876	0	53	0.0	-64.53	382.16	7.53	-57.00
COC1(CC(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C(=O)[O-])CCC1	REAL300012550877	0	64	0.0	-67.75	447.63	8.36	-59.39
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012550878	0	61	0.0	-50.40	418.67	9.05	-41.35
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012550879	0	63	0.0	-46.37	427.38	11.46	-34.91
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)C1	REAL300012550880	0	63	0.0	-67.62	426.00	9.91	-57.71
COC1=CC=CC(C(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C(=O)[O-])=C1	REAL300012550881	0	61	0.0	-69.01	448.37	8.69	-60.32
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012550882	0	56	0.0	-60.06	386.54	7.83	-52.23
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012550883	0	58	0.0	-54.77	408.92	9.88	-44.89
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012550884	0	54	0.0	-64.80	395.18	9.07	-55.73
COC1=CC=CC([C@H](NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C(=O)[O-])=C1	REAL300012550885	0	61	0.0	-66.69	440.87	8.72	-57.97
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550886	0	53	0.0	-60.17	365.77	8.32	-51.85
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C1	REAL300012550887	0	63	0.0	-73.94	440.56	11.09	-62.85
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012550888	0	66	0.0	-71.73	432.83	10.41	-61.32
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012550889	0	55	0.0	-77.78	381.90	9.87	-67.91
COC1CN(C(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C(C)(C(=O)[O-])C1	REAL300012550890	0	61	0.0	-72.78	424.96	8.76	-64.02
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012550891	0	64	0.0	-64.92	446.96	8.23	-56.69
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012550892	0	59	0.0	-64.90	406.60	8.44	-56.46
C=C(Cl)CC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550893	0	54	0.0	-60.94	404.03	8.51	-52.43
C=C(C)CC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550894	0	57	0.0	-66.65	408.94	8.63	-58.02
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012550895	0	58	0.0	-79.86	396.21	10.71	-69.15
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012550896	0	54	0.0	-64.40	387.69	9.41	-54.99
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012550897	0	54	0.0	-67.87	387.93	9.31	-58.56
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C1	REAL300012550898	0	55	0.0	-70.72	388.89	9.33	-61.39
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012550899	0	64	0.0	-65.96	441.81	8.85	-57.11
CC(C)C[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550900	0	59	0.0	-66.38	414.65	8.64	-57.74
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012550901	0	61	0.0	-68.63	419.74	7.20	-61.43
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012550902	0	57	0.0	-64.07	411.34	9.43	-54.64
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012550903	0	57	0.0	-65.92	414.56	8.82	-57.10
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012550904	0	56	0.0	-62.42	420.78	7.52	-54.90
CC(C)CCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550905	0	65	0.0	-65.21	457.63	10.22	-54.99
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012550906	0	61	0.0	-70.38	438.87	7.69	-62.69
CSCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550907	0	54	0.0	-62.70	399.51	7.68	-55.02
COC[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550908	0	54	0.0	-67.16	387.81	5.58	-61.58
CC[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550909	0	53	0.0	-65.43	375.12	7.36	-58.07
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012550910	0	60	0.0	-65.44	440.41	10.48	-54.96
CCC(C)CC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550911	0	62	0.0	-66.59	432.34	9.28	-57.31
C=CCCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550912	0	60	0.0	-65.83	431.62	9.43	-56.40
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012550913	0	60	0.0	-65.58	439.89	10.43	-55.15
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012550914	0	55	0.0	-72.96	385.64	10.26	-62.70
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012550915	0	60	0.0	-65.75	419.70	10.20	-55.55
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012550916	0	54	0.0	-72.78	375.51	8.93	-63.85
CCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550917	0	56	0.0	-65.71	397.31	8.09	-57.62
CC(C)[C@@H](NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550918	0	56	0.0	-66.14	392.85	7.90	-58.24
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012550919	0	58	0.0	-77.34	396.73	10.81	-66.53
CCN(C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(C)(C)C(=O)[O-]	REAL300012550920	0	59	0.0	-68.99	398.62	10.06	-58.93
CCCN(C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(C)C(=O)[O-]	REAL300012550921	0	59	0.0	-68.03	408.05	10.69	-57.34
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012550922	0	53	0.0	-60.56	388.35	9.50	-51.06
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012550923	0	53	0.0	-60.56	388.35	9.50	-51.06
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012550924	0	56	0.0	-69.05	380.89	9.23	-59.82
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012550925	0	54	0.0	-70.66	382.17	8.95	-61.71
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012550926	0	66	0.0	-48.07	461.98	7.64	-40.43
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012550927	0	55	0.0	-73.19	393.10	5.57	-67.62
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550928	0	61	0.0	-72.27	424.75	12.99	-59.28
CCC[C@@H](NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550929	0	56	0.0	-63.73	397.21	8.16	-55.57
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012550930	0	57	0.0	-66.11	411.99	9.41	-56.70
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012550931	0	62	0.0	-68.14	452.10	9.35	-58.79
C=CCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550932	0	57	0.0	-65.61	410.12	8.65	-56.96
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012550933	0	56	0.0	-68.68	420.52	7.41	-61.27
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012550934	0	57	0.0	-83.18	405.11	6.75	-76.43
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012550935	0	58	0.0	-65.89	402.54	8.54	-57.35
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012550936	0	57	0.0	-72.91	398.63	9.80	-63.11
CC(C)[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550937	0	56	0.0	-66.38	388.64	7.66	-58.72
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012550938	0	57	0.0	-65.84	411.48	9.43	-56.41
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012550939	0	60	0.0	-69.11	428.29	8.74	-60.37
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550940	0	53	0.0	-60.17	365.77	8.32	-51.85
CCC[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550941	0	56	0.0	-63.66	397.31	8.10	-55.56
CCN(C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(C)C(=O)[O-]	REAL300012550942	0	56	0.0	-62.31	381.33	9.03	-53.28
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012550943	0	60	0.0	-45.99	409.97	10.75	-35.24
CC(CN(C)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550944	0	56	0.0	-70.56	387.29	9.05	-61.51
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550945	0	59	0.0	-66.86	407.19	8.30	-58.56
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550946	0	56	0.0	-63.49	386.37	9.32	-54.17
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012550947	0	58	0.0	-69.04	409.34	5.34	-63.70
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550948	0	66	0.0	-64.34	455.62	8.55	-55.79
CC1CCC(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)(C(=O)[O-])C1	REAL300012550949	0	60	0.0	-69.71	411.88	9.08	-60.63
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012550950	0	63	0.0	-69.78	421.35	9.80	-59.98
COCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550951	0	57	0.0	-65.67	409.24	6.45	-59.22
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012550952	0	63	0.0	-65.63	442.89	12.27	-53.36
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012550953	0	60	0.0	-69.64	413.51	9.76	-59.88
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012550954	0	57	0.0	-67.38	397.27	8.67	-58.71
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550955	0	66	0.0	-65.06	459.79	8.62	-56.44
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012550956	0	55	0.0	-76.23	385.40	5.73	-70.50
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012550957	0	58	0.0	-60.68	405.90	6.35	-54.33
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012550958	0	58	0.0	-77.75	403.24	10.38	-67.37
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012550959	0	56	0.0	-73.77	396.20	8.04	-65.73
CC1CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C1	REAL300012550960	0	60	0.0	-75.17	406.70	11.07	-64.10
CC(C1=CC=CC=C1)C(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550961	0	63	0.0	-62.79	448.22	10.65	-52.14
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012550962	0	64	0.0	-63.49	454.54	10.47	-53.02
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012550963	0	57	0.0	-65.91	395.48	8.30	-57.61
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012550964	0	63	0.0	-67.79	429.54	9.55	-58.24
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012550965	0	57	0.0	-65.91	395.48	8.30	-57.61
CC1CCN(C(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C1C(=O)[O-]	REAL300012550966	0	57	0.0	-71.58	402.80	9.53	-62.05
C=CCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550967	0	54	0.0	-65.06	388.85	7.85	-57.21
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012550968	0	64	0.0	-67.50	450.02	8.50	-59.00
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012550969	0	64	0.0	-44.85	422.00	10.95	-33.90
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012550970	0	64	0.0	-70.91	425.46	8.35	-62.56
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012550971	0	58	0.0	-41.53	397.12	10.28	-31.25
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012550972	0	64	0.0	-63.49	454.54	10.47	-53.02
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012550973	0	60	0.0	-69.43	440.42	10.47	-58.96
COC1CC(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)(C(=O)[O-])C1	REAL300012550974	0	58	0.0	-71.44	410.54	7.02	-64.42
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012550975	0	54	0.0	-67.54	385.50	8.08	-59.46
CO[C@H]1C[C@](NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)(C(=O)[O-])C1	REAL300012550976	0	58	0.0	-67.76	408.68	7.32	-60.44
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012550977	0	57	0.0	-68.46	413.37	9.09	-59.37
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550978	0	60	0.0	-75.07	405.06	11.02	-64.05
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012550979	0	53	0.0	-59.45	391.50	8.10	-51.35
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012550980	0	61	0.0	-68.35	429.37	7.41	-60.94
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012550981	0	52	0.0	-63.02	374.78	5.05	-57.97
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012550982	0	57	0.0	-64.24	425.27	9.42	-54.82
CC(C)C(C)(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550983	0	59	0.0	-63.95	396.68	8.39	-55.56
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012550984	0	55	0.0	-75.99	388.46	10.40	-65.59
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012550985	0	58	0.0	-75.35	404.65	9.81	-65.54
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550986	0	63	0.0	-38.05	437.92	12.75	-25.30
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012550987	0	66	0.0	-66.23	455.83	10.62	-55.61
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012550988	0	63	0.0	-66.61	456.52	11.14	-55.47
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012550989	0	63	0.0	-66.84	457.21	11.11	-55.73
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012550990	0	64	0.0	-64.86	436.39	10.00	-54.86
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012550991	0	66	0.0	-66.23	455.83	10.62	-55.61
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012550992	0	66	0.0	-66.26	455.45	10.55	-55.71
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012550993	0	64	0.0	-39.66	442.95	11.21	-28.45
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012550994	0	64	0.0	-76.16	440.24	10.91	-65.25
C=CCSCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012550995	0	58	0.0	-62.63	433.79	9.13	-53.50
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012550996	0	59	0.0	-63.21	398.33	9.99	-53.22
COC1(C(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C(=O)[O-])CCC1	REAL300012550997	0	61	0.0	-62.63	423.12	6.97	-55.66
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012550998	0	57	0.0	-70.38	409.32	8.84	-61.54
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012551000	0	54	0.0	-67.87	387.93	9.31	-58.56
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012551001	0	56	0.0	-45.03	397.16	10.05	-34.98
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012551002	0	60	0.0	-74.76	417.59	9.87	-64.89
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012551003	0	64	0.0	-75.48	437.95	11.88	-63.60
CC(C)CCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012551004	0	62	0.0	-65.53	436.14	9.45	-56.08
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012551005	0	61	0.0	-46.18	422.51	10.67	-35.51
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012551006	0	61	0.0	-68.35	429.37	7.41	-60.94
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C1	REAL300012551007	0	58	0.0	-69.23	424.72	10.41	-58.82
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012551008	0	61	0.0	-68.94	411.17	10.18	-58.76
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012551009	0	58	0.0	-68.73	398.30	9.27	-59.46
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012551010	0	61	0.0	-69.67	426.43	9.65	-60.02
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551011	0	63	0.0	-63.25	443.46	12.38	-50.87
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012551012	0	67	0.0	-44.06	450.87	11.75	-32.31
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012551013	0	60	0.0	-66.24	411.97	8.92	-57.32
CO[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012551014	0	57	0.0	-64.50	405.81	6.57	-57.93
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012551015	0	57	0.0	-72.23	398.82	9.07	-63.16
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012551016	0	60	0.0	-47.19	432.63	12.18	-35.01
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012551017	0	60	0.0	-47.51	423.36	9.87	-37.64
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012551018	0	57	0.0	-72.82	396.69	10.33	-62.49
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012551019	0	54	0.0	-76.53	386.38	9.38	-67.15
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012551020	0	60	0.0	-69.43	440.42	10.47	-58.96
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012551021	0	57	0.0	-64.18	431.67	9.31	-54.87
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012551022	0	57	0.0	-63.11	403.76	9.90	-53.21
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012551023	0	57	0.0	-64.18	431.67	9.31	-54.87
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012551024	0	61	0.0	-75.52	413.54	10.35	-65.17
COCCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012551025	0	60	0.0	-64.80	430.98	7.16	-57.64
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012551026	0	59	0.0	-62.39	408.27	10.12	-52.27
CCOCC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300012551027	0	57	0.0	-67.19	409.53	6.56	-60.63
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012551028	0	62	0.0	-64.14	425.72	9.78	-54.36
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012551029	0	61	0.0	-67.62	424.54	7.50	-60.12
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012551030	0	61	0.0	-68.08	436.80	10.57	-57.51
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012551031	0	58	0.0	-72.62	403.43	8.51	-64.11
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012551032	0	54	0.0	-67.87	396.67	7.83	-60.04
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012551033	0	57	0.0	-48.25	414.30	10.32	-37.93
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300012551034	0	53	0.0	-60.40	366.47	8.29	-52.11
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C1	REAL300012551035	0	61	0.0	-67.99	436.86	9.06	-58.93
CC(C)C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551036	0	56	0.0	-62.83	392.84	8.07	-54.76
CC(C)C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551036	1	56	0.0	-66.06	399.36	8.11	-57.95
C=CCOCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551037	0	55	0.0	-67.69	401.73	6.56	-61.13
C=CCOCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551037	1	55	0.0	-66.69	400.87	6.54	-60.15
C=CC(C)C(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551038	0	54	0.0	-66.26	379.90	7.68	-58.58
C=CC(C)C(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551038	1	54	0.0	-64.05	379.55	7.67	-56.38
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012551039	0	58	0.0	-68.17	406.30	6.53	-61.64
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012551039	1	58	0.0	-67.35	399.24	6.55	-60.80
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012551040	0	54	0.0	-61.00	403.94	8.96	-52.04
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012551040	1	54	0.0	-59.41	403.63	8.95	-50.46
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012551041	0	54	0.0	-60.45	413.59	9.49	-50.96
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012551041	1	54	0.0	-59.34	413.52	9.40	-49.94
COC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012551042	0	58	0.0	-74.79	401.94	8.78	-66.01
COC1CCN(C(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012551042	1	58	0.0	-76.13	395.46	9.06	-67.07
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012551043	0	58	0.0	-64.50	403.09	6.87	-57.63
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012551043	1	58	0.0	-64.38	399.24	6.63	-57.75
CC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012551044	0	57	0.0	-75.14	386.38	10.25	-64.89
CC1CCN(C(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(C(=O)[O-])C1	REAL300012551044	1	57	0.0	-73.89	385.21	10.26	-63.63
CC1=CC(C(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])=CC=C1F	REAL300012551045	0	57	0.0	-60.89	417.35	9.56	-51.33
CC1=CC(C(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])=CC=C1F	REAL300012551045	1	57	0.0	-62.01	417.63	9.53	-52.48
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012551046	0	59	0.0	-65.47	433.67	8.74	-56.73
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012551046	1	59	0.0	-66.19	426.22	8.70	-57.49
CC1=CC(C(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])=CC(C)=C1	REAL300012551047	0	60	0.0	-66.85	434.11	10.17	-56.68
CC1=CC(C(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])=CC(C)=C1	REAL300012551047	1	60	0.0	-67.12	433.72	10.16	-56.96
CC1=CC=C(C(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1C	REAL300012551048	0	60	0.0	-64.40	429.09	10.07	-54.33
CC1=CC=C(C(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1C	REAL300012551048	1	60	0.0	-66.89	429.09	10.12	-56.77
CC1=CC=CC(C(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1C	REAL300012551049	0	60	0.0	-66.98	430.72	9.94	-57.04
CC1=CC=CC(C(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])=C1C	REAL300012551049	1	60	0.0	-66.59	428.39	9.96	-56.63
COC1=CC=C(C(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1F	REAL300012551050	0	58	0.0	-65.05	426.36	8.24	-56.81
COC1=CC=C(C(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1F	REAL300012551050	1	58	0.0	-62.66	426.65	8.19	-54.47
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551051	0	53	0.0	-46.70	374.54	9.32	-37.38
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551051	1	53	0.0	-50.95	374.18	9.32	-41.63
CC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C1CCC1	REAL300012551052	0	57	0.0	-52.37	382.38	9.80	-42.57
CC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C1CCC1	REAL300012551052	1	57	0.0	-34.88	379.23	10.55	-24.33
CCCN(C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(COC)C(=O)[O-]	REAL300012551053	0	60	0.0	-63.32	413.16	8.98	-54.34
CCCN(C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(COC)C(=O)[O-]	REAL300012551053	1	60	0.0	-67.17	423.20	10.27	-56.90
CCCN(C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(CC)C(=O)[O-]	REAL300012551054	0	59	0.0	-63.68	400.81	10.18	-53.50
CCCN(C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(CC)C(=O)[O-]	REAL300012551054	1	59	0.0	-61.30	407.70	10.28	-51.02
CC(C)C(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551055	0	53	0.0	-65.02	370.23	7.37	-57.65
CC(C)C(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551055	1	53	0.0	-65.30	369.90	7.37	-57.93
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012551056	0	54	0.0	-75.96	372.18	10.02	-65.94
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012551056	1	54	0.0	-73.69	364.39	9.69	-64.00
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012551057	0	54	0.0	-62.65	407.76	9.44	-53.21
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012551057	1	54	0.0	-63.27	407.61	9.34	-53.93
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012551058	0	52	0.0	-73.58	365.35	9.87	-63.71
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012551058	1	52	0.0	-73.13	371.14	9.66	-63.47
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012551059	0	57	0.0	-70.47	391.36	8.94	-61.53
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012551059	1	57	0.0	-67.16	391.00	8.96	-58.20
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC2C(=O)[O-])C1	REAL300012551060	0	51	0.0	-73.83	362.71	8.22	-65.61
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC2C(=O)[O-])C1	REAL300012551060	1	51	0.0	-72.76	360.22	8.66	-64.10
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012551061	0	54	0.0	-69.87	370.20	7.87	-62.00
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012551061	1	54	0.0	-67.47	369.72	7.90	-59.57
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012551062	0	60	0.0	-71.71	396.99	9.60	-62.11
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012551062	1	60	0.0	-68.05	396.65	9.63	-58.42
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551063	0	57	0.0	-64.50	413.24	9.84	-54.66
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551063	1	57	0.0	-68.15	413.11	9.77	-58.38
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012551064	0	57	0.0	-49.14	405.90	11.29	-37.85
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012551064	1	57	0.0	-50.60	411.68	11.56	-39.04
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551065	0	54	0.0	-65.83	391.04	8.92	-56.91
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551065	1	54	0.0	-64.16	397.42	8.90	-55.26
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551066	0	54	0.0	-64.37	391.24	8.84	-55.53
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551066	1	54	0.0	-64.92	390.93	8.84	-56.08
CC(C)C(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551067	0	53	0.0	-65.02	370.23	7.37	-57.65
CC(C)C(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551067	1	53	0.0	-65.30	369.90	7.37	-57.93
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551068	0	57	0.0	-64.50	413.24	9.84	-54.66
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551068	1	57	0.0	-68.15	413.11	9.77	-58.38
CCC(C)C(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551069	0	56	0.0	-63.22	385.62	7.77	-55.45
CCC(C)C(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551069	1	56	0.0	-67.10	389.73	7.96	-59.14
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012551070	0	54	0.0	-75.96	372.18	10.02	-65.94
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012551070	1	54	0.0	-73.69	364.39	9.69	-64.00
CCCC(C)(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551071	0	56	0.0	-65.69	380.74	7.90	-57.79
CCCC(C)(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551071	1	56	0.0	-65.82	380.38	7.88	-57.94
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551072	0	53	0.0	-44.03	365.96	8.95	-35.08
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551072	1	53	0.0	-67.89	363.05	8.84	-59.05
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012551073	0	51	0.0	-49.22	356.28	9.13	-40.09
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012551073	1	51	0.0	-66.35	364.60	8.92	-57.43
C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551074	0	51	0.0	-46.58	365.85	9.13	-37.45
C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551074	1	51	0.0	-50.68	365.49	9.12	-41.56
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551075	0	56	0.0	-46.66	389.20	9.85	-36.81
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551075	1	56	0.0	-50.37	388.58	9.62	-40.75
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012551076	0	58	0.0	-75.72	409.60	11.81	-63.91
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012551076	1	58	0.0	-71.48	404.50	11.62	-59.86
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012551077	0	54	0.0	-67.36	368.85	7.89	-59.47
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012551077	1	54	0.0	-66.77	375.06	7.88	-58.89
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012551078	0	51	0.0	-64.08	389.38	7.96	-56.12
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012551078	1	51	0.0	-64.38	389.02	7.98	-56.40
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012551079	0	57	0.0	-70.47	391.36	8.94	-61.53
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012551079	1	57	0.0	-67.16	391.00	8.96	-58.20
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012551080	0	57	0.0	-44.64	428.77	12.09	-32.55
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012551080	1	57	0.0	-48.53	428.42	12.08	-36.45
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551081	0	53	0.0	-44.03	365.96	8.95	-35.08
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551081	1	53	0.0	-67.89	363.05	8.84	-59.05
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551082	0	53	0.0	-46.70	374.54	9.32	-37.38
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551082	1	53	0.0	-50.95	374.18	9.32	-41.63
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551083	0	56	0.0	-64.15	386.34	7.73	-56.42
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551083	1	56	0.0	-67.19	392.72	7.71	-59.48
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012551084	0	54	0.0	-69.87	370.20	7.87	-62.00
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012551084	1	54	0.0	-67.47	369.72	7.90	-59.57
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012551085	0	57	0.0	-44.87	418.44	11.64	-33.23
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012551085	1	57	0.0	-48.77	418.10	11.63	-37.14
CCC(C)(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551086	0	53	0.0	-66.36	365.97	7.10	-59.26
CCC(C)(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551086	1	53	0.0	-65.59	358.88	7.13	-58.46
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012551087	0	58	0.0	-68.99	410.59	10.08	-58.91
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012551087	1	58	0.0	-67.17	416.97	10.15	-57.02
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012551088	0	54	0.0	-64.41	408.13	8.96	-55.45
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012551088	1	54	0.0	-64.92	408.49	8.98	-55.94
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551089	0	57	0.0	-64.86	398.99	9.63	-55.23
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551089	1	57	0.0	-67.25	398.71	9.61	-57.64
CCCCCCC(C)(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551090	0	65	0.0	-63.00	445.25	10.22	-52.78
CCCCCCC(C)(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551090	1	65	0.0	-66.03	444.88	10.21	-55.82
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551091	0	60	0.0	-62.54	422.04	11.71	-50.83
CC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551091	1	60	0.0	-67.90	430.45	11.71	-56.19
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012551092	0	54	0.0	-62.65	407.76	9.44	-53.21
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012551092	1	54	0.0	-63.27	407.61	9.34	-53.93
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012551093	0	52	0.0	-71.79	355.77	7.27	-64.52
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012551093	1	52	0.0	-72.01	362.74	7.24	-64.77
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012551094	0	60	0.0	-72.45	393.39	10.28	-62.17
CC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012551094	1	60	0.0	-69.02	393.52	10.26	-58.76
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012551095	0	51	0.0	-64.49	364.93	7.31	-57.18
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012551095	1	51	0.0	-64.11	358.98	7.22	-56.89
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012551096	0	60	0.0	-50.92	429.22	12.14	-38.78
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012551096	1	60	0.0	-51.96	434.09	12.35	-39.61
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551097	0	57	0.0	-63.52	404.93	10.38	-53.14
CC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551097	1	57	0.0	-71.42	408.04	10.35	-61.07
COCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551098	0	54	0.0	-47.51	384.42	7.75	-39.76
COCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551098	1	54	0.0	-51.45	384.05	7.74	-43.71
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012551099	0	58	0.0	-70.81	412.59	9.88	-60.93
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012551099	1	58	0.0	-68.49	412.23	9.90	-58.59
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012551100	0	51	0.0	-71.11	354.62	8.36	-62.75
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012551100	1	51	0.0	-71.30	355.61	8.25	-63.05
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012551101	0	54	0.0	-74.50	371.38	9.64	-64.86
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012551101	1	54	0.0	-73.86	371.04	9.65	-64.21
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012551102	0	51	0.0	-69.78	361.38	8.32	-61.46
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012551102	1	51	0.0	-72.76	360.25	8.63	-64.13
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012551103	0	51	0.0	-70.74	356.32	7.47	-63.27
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012551103	1	51	0.0	-71.11	362.73	7.45	-63.66
C=CCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551104	0	51	0.0	-64.35	375.11	7.19	-57.16
C=CCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551104	1	51	0.0	-63.53	368.02	7.21	-56.32
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012551105	0	54	0.0	-69.11	370.96	9.22	-59.89
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012551105	1	54	0.0	-69.59	377.35	9.21	-60.38
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012551106	0	57	0.0	-74.36	384.81	10.22	-64.14
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012551106	1	57	0.0	-73.97	384.46	10.22	-63.75
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012551107	0	51	0.0	-64.49	364.93	7.31	-57.18
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012551107	1	51	0.0	-64.11	358.98	7.22	-56.89
CCCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551108	0	56	0.0	-62.60	397.86	8.37	-54.23
CCCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551108	1	56	0.0	-63.72	397.74	8.31	-55.41
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012551109	0	60	0.0	-50.92	429.22	12.14	-38.78
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012551109	1	60	0.0	-51.96	434.09	12.35	-39.61
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012551110	0	54	0.0	-68.94	377.81	9.18	-59.76
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012551110	1	54	0.0	-72.97	377.36	9.20	-63.77
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012551111	0	57	0.0	-45.53	389.37	10.15	-35.38
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012551111	1	57	0.0	-49.93	395.77	10.12	-39.81
COCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551112	0	51	0.0	-66.75	366.83	5.05	-61.70
COCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551112	1	51	0.0	-64.58	366.47	5.04	-59.54
CCCCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551113	0	59	0.0	-65.33	419.36	9.15	-56.18
CCCCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551113	1	59	0.0	-63.09	419.00	9.15	-53.94
CCC1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)(C(=O)[O-])CC1	REAL300012551114	0	63	0.0	-66.56	430.42	10.19	-56.37
CCC1CCC(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)(C(=O)[O-])CC1	REAL300012551114	1	63	0.0	-67.14	430.06	10.22	-56.92
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012551115	0	58	0.0	-47.29	397.95	8.48	-38.81
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012551115	1	58	0.0	-45.56	404.23	8.45	-37.11
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012551116	0	57	0.0	-73.91	387.35	9.54	-64.37
CC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012551116	1	57	0.0	-73.54	387.07	9.59	-63.95
CC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C1CC1	REAL300012551117	0	54	0.0	-50.81	378.39	9.14	-41.67
CC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C1CC1	REAL300012551117	1	54	0.0	-60.63	370.40	8.81	-51.82
CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C1CC1	REAL300012551118	0	57	0.0	-52.66	398.34	10.19	-42.47
CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C1CC1	REAL300012551118	1	57	0.0	-55.98	398.35	10.22	-45.76
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012551119	0	54	0.0	-68.37	410.64	9.28	-59.09
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012551119	1	54	0.0	-67.94	407.76	9.24	-58.70
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012551120	0	54	0.0	-71.60	402.25	8.97	-62.63
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012551120	1	54	0.0	-72.74	402.06	8.91	-63.83
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012551121	0	58	0.0	-53.93	406.60	11.17	-42.76
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012551121	1	58	0.0	-54.38	406.24	11.16	-43.22
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012551122	0	57	0.0	-70.88	428.50	10.18	-60.70
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012551122	1	57	0.0	-62.95	422.00	10.69	-52.26
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012551123	0	63	0.0	-66.79	435.54	9.99	-56.80
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012551123	1	63	0.0	-66.38	434.24	9.97	-56.41
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551124	0	60	0.0	-48.65	423.98	12.16	-36.49
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551124	1	60	0.0	-49.77	426.47	12.20	-37.57
CC1=CC=C(C(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012551125	0	57	0.0	-66.21	412.69	9.51	-56.70
CC1=CC=C(C(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012551125	1	57	0.0	-64.45	412.09	9.59	-54.86
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012551126	0	50	0.0	-59.29	377.76	7.42	-51.87
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012551126	1	50	0.0	-59.53	369.85	7.48	-52.05
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012551127	0	60	0.0	-66.01	437.22	11.12	-54.89
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012551127	1	60	0.0	-67.38	436.28	11.12	-56.26
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012551128	0	55	0.0	-63.21	382.30	8.67	-54.54
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012551128	1	55	0.0	-63.84	381.95	8.66	-55.18
COCC(C)(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551129	0	54	0.0	-69.83	377.48	6.43	-63.40
COCC(C)(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551129	1	54	0.0	-67.64	377.13	6.42	-61.22
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551130	0	57	0.0	-61.04	396.75	8.10	-52.94
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551130	1	57	0.0	-61.23	403.87	8.04	-53.19
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551131	0	56	0.0	-46.66	389.20	9.85	-36.81
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551131	1	56	0.0	-50.37	388.58	9.62	-40.75
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551132	0	63	0.0	-44.10	432.83	12.39	-31.71
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551132	1	63	0.0	-43.91	439.10	12.01	-31.90
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012551133	0	51	0.0	-49.22	356.28	9.13	-40.09
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012551133	1	51	0.0	-66.35	364.60	8.92	-57.43
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012551134	0	53	0.0	-47.40	387.45	9.50	-37.90
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012551134	1	53	0.0	-51.54	392.31	9.70	-41.84
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012551135	0	52	0.0	-62.68	360.75	5.24	-57.44
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012551135	1	52	0.0	-65.42	367.19	5.21	-60.21
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012551136	0	60	0.0	-68.37	415.43	8.93	-59.44
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012551136	1	60	0.0	-64.78	407.83	9.03	-55.75
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012551137	0	61	0.0	-63.33	424.63	9.47	-53.86
CC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012551137	1	61	0.0	-64.54	431.27	9.61	-54.93
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012551138	0	61	0.0	-38.89	428.23	12.48	-26.41
CC1CCC[N@H+](C(C)(C)CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012551138	1	61	0.0	-73.91	429.35	12.66	-61.25
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012551139	0	55	0.0	-69.53	376.06	6.49	-63.04
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012551139	1	55	0.0	-66.72	375.69	6.47	-60.25
C=CCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551140	0	54	0.0	-62.34	389.17	8.15	-54.19
C=CCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551140	1	54	0.0	-63.56	389.05	8.09	-55.47
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CF)C(=O)[O-])C1	REAL300012551141	0	47	0.0	-53.79	343.46	5.75	-48.04
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CF)C(=O)[O-])C1	REAL300012551141	1	47	0.0	-53.50	336.54	5.75	-47.75
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551142	0	60	0.0	-52.62	416.69	11.41	-41.21
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551142	1	60	0.0	-70.65	421.55	12.42	-58.23
CCC(CC)(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551143	0	56	0.0	-66.94	375.63	8.03	-58.91
CCC(CC)(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551143	1	56	0.0	-64.09	382.01	8.02	-56.07
COC1=CC=C(C(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012551144	0	58	0.0	-65.16	420.52	8.22	-56.94
COC1=CC=C(C(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012551144	1	58	0.0	-65.95	419.77	8.16	-57.79
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551145	0	56	0.0	-45.84	383.76	9.90	-35.94
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551145	1	56	0.0	-48.57	392.49	10.06	-38.51
CCC(COC)(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551146	0	57	0.0	-71.53	393.94	7.34	-64.19
CCC(COC)(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551146	1	57	0.0	-71.74	393.81	7.31	-64.43
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551147	0	60	0.0	-64.04	418.38	8.92	-55.12
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551147	1	60	0.0	-61.76	424.14	8.80	-52.96
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012551148	0	57	0.0	-71.92	401.17	4.97	-66.95
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012551148	1	57	0.0	-69.36	400.81	4.96	-64.40
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012551149	0	54	0.0	-65.60	393.21	8.34	-57.26
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012551149	1	54	0.0	-62.76	392.86	8.37	-54.39
COCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551150	0	54	0.0	-63.01	388.53	5.89	-57.12
COCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551150	1	54	0.0	-63.46	388.18	5.88	-57.58
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551151	0	59	0.0	-61.61	404.04	10.15	-51.46
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551151	1	59	0.0	-61.78	411.66	10.18	-51.60
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012551152	0	50	0.0	-62.91	367.21	7.11	-55.80
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012551152	1	50	0.0	-63.40	366.85	7.11	-56.29
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551153	0	60	0.0	-73.93	408.47	11.04	-62.89
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551153	1	60	0.0	-74.15	412.57	10.86	-63.29
CCCN(C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012551154	0	56	0.0	-39.31	382.72	10.12	-29.19
CCCN(C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012551154	1	56	0.0	-43.90	389.91	10.14	-33.76
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551155	0	60	0.0	-45.18	420.34	12.51	-32.67
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551155	1	60	0.0	-44.74	425.75	12.45	-32.29
CCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012551156	0	60	0.0	-67.96	416.05	10.52	-57.44
CCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012551156	1	60	0.0	-68.20	415.61	10.48	-57.72
COC1CCCC(C(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C1	REAL300012551157	0	64	0.0	-67.49	442.21	8.40	-59.09
COC1CCCC(C(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C1	REAL300012551157	1	64	0.0	-68.36	445.86	8.21	-60.15
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012551158	0	50	0.0	-61.80	361.45	6.97	-54.83
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012551158	1	50	0.0	-62.32	361.10	6.96	-55.36
COC1(CC(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012551159	0	61	0.0	-65.04	430.68	8.11	-56.93
COC1(CC(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012551159	1	61	0.0	-65.89	433.23	7.76	-58.13
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012551160	0	58	0.0	-47.29	397.95	8.48	-38.81
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012551160	1	58	0.0	-45.56	404.23	8.45	-37.11
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012551161	0	60	0.0	-50.43	406.81	10.86	-39.57
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012551161	1	60	0.0	-50.31	413.16	10.83	-39.48
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)C1	REAL300012551162	0	60	0.0	-70.64	398.42	9.36	-61.28
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)C1	REAL300012551162	1	60	0.0	-70.82	404.80	9.34	-61.48
COC1=CC=CC(C(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012551163	0	58	0.0	-67.02	420.74	8.12	-58.90
COC1=CC=CC(C(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012551163	1	58	0.0	-68.93	420.39	8.11	-60.82
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012551164	0	53	0.0	-59.77	365.85	7.27	-52.50
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012551164	1	53	0.0	-60.36	365.48	7.27	-53.09
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012551165	0	55	0.0	-53.25	388.72	9.42	-43.83
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012551165	1	55	0.0	-55.01	387.66	9.29	-45.72
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012551166	0	51	0.0	-67.16	375.70	8.38	-58.78
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012551166	1	51	0.0	-64.42	367.25	8.52	-55.90
COC1=CC=CC([C@H](NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012551167	0	58	0.0	-66.58	420.52	8.21	-58.37
COC1=CC=CC([C@H](NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012551167	1	58	0.0	-68.62	426.56	8.15	-60.47
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C1	REAL300012551168	0	60	0.0	-73.80	420.25	10.58	-63.22
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C1	REAL300012551168	1	60	0.0	-69.29	420.66	9.61	-59.68
COC1=CC=CC(CC(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012551169	0	61	0.0	-64.77	449.76	9.05	-55.72
COC1=CC=CC(CC(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])=C1	REAL300012551169	1	61	0.0	-63.36	442.43	9.13	-54.23
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012551170	0	63	0.0	-71.93	412.24	9.87	-62.06
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012551170	1	63	0.0	-72.39	418.91	9.83	-62.56
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012551171	0	52	0.0	-76.73	366.05	9.34	-67.39
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012551171	1	52	0.0	-75.21	358.87	9.31	-65.90
COC1CN(C(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(C)(C(=O)[O-])C1	REAL300012551172	0	58	0.0	-71.59	402.81	8.25	-63.34
COC1CN(C(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(C)(C(=O)[O-])C1	REAL300012551172	1	58	0.0	-69.62	410.57	8.19	-61.43
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012551173	0	61	0.0	-61.84	428.77	8.31	-53.53
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012551173	1	61	0.0	-64.59	428.41	8.33	-56.26
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012551174	0	56	0.0	-64.45	385.89	7.88	-56.57
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012551174	1	56	0.0	-66.95	391.64	7.94	-59.01
C=C(Cl)CC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551175	0	51	0.0	-64.28	384.31	7.83	-56.45
C=C(Cl)CC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551175	1	51	0.0	-59.75	383.21	7.88	-51.87
C=C(C)CC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551176	0	54	0.0	-63.37	389.03	7.96	-55.41
C=C(C)CC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551176	1	54	0.0	-63.95	386.07	8.13	-55.82
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012551177	0	55	0.0	-80.36	382.78	10.05	-70.31
CC1CCC[N@H+](C(C)(C)CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012551177	1	55	0.0	-78.29	380.05	10.11	-68.18
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012551178	0	60	0.0	-62.69	423.10	10.04	-52.65
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012551178	1	60	0.0	-63.37	422.73	10.02	-53.35
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012551179	0	51	0.0	-63.78	367.68	8.51	-55.27
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012551179	1	51	0.0	-66.33	367.25	8.53	-57.80
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012551180	0	51	0.0	-71.37	367.10	8.73	-62.64
CC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012551180	1	51	0.0	-70.39	360.02	8.74	-61.65
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C1	REAL300012551181	0	52	0.0	-69.49	374.85	8.69	-60.80
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C1	REAL300012551181	1	52	0.0	-72.71	367.73	8.74	-63.97
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012551182	0	61	0.0	-66.69	422.30	8.23	-58.46
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012551182	1	61	0.0	-64.16	422.00	8.24	-55.92
CC(C)C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551183	0	56	0.0	-62.83	392.84	8.07	-54.76
CC(C)C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551183	1	56	0.0	-66.06	399.36	8.11	-57.95
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012551184	0	58	0.0	-68.17	406.30	6.53	-61.64
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012551184	1	58	0.0	-67.35	399.24	6.55	-60.80
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551185	0	54	0.0	-64.37	391.24	8.84	-55.53
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551185	1	54	0.0	-64.92	390.93	8.84	-56.08
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012551186	0	54	0.0	-65.60	393.21	8.34	-57.26
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012551186	1	54	0.0	-62.76	392.86	8.37	-54.39
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012551187	0	53	0.0	-66.33	400.03	6.97	-59.36
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012551187	1	53	0.0	-64.77	399.92	6.90	-57.87
CC(C)CCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551188	0	62	0.0	-65.79	437.17	9.59	-56.20
CC(C)CCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551188	1	62	0.0	-66.06	436.81	9.60	-56.46
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012551189	0	58	0.0	-71.05	417.93	7.08	-63.97
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012551189	1	58	0.0	-63.05	415.61	7.62	-55.43
CSCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551190	0	51	0.0	-62.34	378.56	7.18	-55.16
CSCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551190	1	51	0.0	-61.32	378.45	7.11	-54.21
COC[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551191	0	51	0.0	-64.45	366.96	5.00	-59.45
COC[C@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551191	1	51	0.0	-67.18	373.20	5.04	-62.14
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012551192	0	57	0.0	-65.92	419.90	9.84	-56.08
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012551192	1	57	0.0	-63.17	426.03	9.90	-53.27
CCC(C)CC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551193	0	59	0.0	-63.96	411.50	8.68	-55.28
CCC(C)CC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551193	1	59	0.0	-64.05	411.67	8.71	-55.34
C=CCCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551194	0	57	0.0	-62.14	410.67	8.94	-53.20
C=CCCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551194	1	57	0.0	-65.41	410.55	8.87	-56.54
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012551195	0	57	0.0	-62.80	419.65	9.91	-52.89
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012551195	1	57	0.0	-66.52	426.26	9.83	-56.69
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012551196	0	60	0.0	-68.75	437.46	11.00	-57.75
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012551196	1	60	0.0	-62.21	438.86	11.21	-51.00
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012551197	0	52	0.0	-73.58	365.35	9.87	-63.71
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012551197	1	52	0.0	-73.13	371.14	9.66	-63.47
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551198	0	57	0.0	-64.86	398.99	9.63	-55.23
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551198	1	57	0.0	-67.25	398.71	9.61	-57.64
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012551199	0	51	0.0	-71.11	354.62	8.36	-62.75
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012551199	1	51	0.0	-71.30	355.61	8.25	-63.05
CCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551200	0	53	0.0	-63.25	376.60	7.54	-55.71
CCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551200	1	53	0.0	-66.05	376.24	7.52	-58.53
CC(C)[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551201	0	53	0.0	-63.72	376.94	7.35	-56.37
CC(C)[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551201	1	53	0.0	-62.57	376.61	7.36	-55.21
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012551202	0	55	0.0	-77.85	382.10	10.16	-67.69
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012551202	1	55	0.0	-78.15	375.53	10.18	-67.97
CCN(C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(C)(C)C(=O)[O-]	REAL300012551203	0	56	0.0	-66.17	379.80	9.51	-56.66
CCN(C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(C)(C)C(=O)[O-]	REAL300012551203	1	56	0.0	-66.75	379.43	9.51	-57.24
CCCN(C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012551204	0	56	0.0	-39.31	382.72	10.12	-29.19
CCCN(C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012551204	1	56	0.0	-43.90	389.91	10.14	-33.76
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012551205	0	50	0.0	-63.51	359.43	8.81	-54.70
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012551205	1	50	0.0	-59.58	367.30	9.07	-50.51
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012551206	0	50	0.0	-63.51	359.43	8.81	-54.70
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012551206	1	50	0.0	-59.58	367.30	9.07	-50.51
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012551207	0	53	0.0	-69.29	360.44	8.66	-60.63
CC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012551207	1	53	0.0	-66.92	359.98	8.62	-58.30
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012551208	0	51	0.0	-69.78	361.38	8.32	-61.46
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012551208	1	51	0.0	-72.76	360.25	8.63	-64.13
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012551209	0	63	0.0	-47.24	448.20	7.03	-40.21
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012551209	1	63	0.0	-51.81	441.02	7.02	-44.79
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012551210	0	52	0.0	-75.15	365.87	4.99	-70.16
CC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012551210	1	52	0.0	-72.48	365.53	4.96	-67.52
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])C1	REAL300012551211	1	67	0.0	-51.17	472.17	6.72	-44.45
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])C1	REAL300012551211	1	67	0.0	-51.57	466.22	6.90	-44.67
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551212	0	58	0.0	-74.47	413.47	11.66	-62.81
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551212	1	58	0.0	-45.10	414.53	11.68	-33.42
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C1	REAL300012551213	0	61	0.0	-52.93	417.54	11.82	-41.11
CC1CCC[N@H+](C(C)(C)CNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C1	REAL300012551213	1	61	0.0	-56.26	424.13	11.80	-44.46
CCC[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551214	0	53	0.0	-65.86	376.61	7.54	-58.32
CCC[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551214	1	53	0.0	-63.03	382.74	7.58	-55.45
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012551215	0	59	0.0	-63.71	406.40	9.76	-53.95
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012551215	1	59	0.0	-64.94	406.22	9.80	-55.14
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551216	0	54	0.0	-65.83	391.04	8.92	-56.91
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551216	1	54	0.0	-64.16	397.42	8.90	-55.26
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012551217	0	59	0.0	-65.06	431.15	8.85	-56.21
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012551217	1	59	0.0	-65.60	430.80	8.84	-56.76
C=CCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551218	0	54	0.0	-62.34	389.17	8.15	-54.19
C=CCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551218	1	54	0.0	-63.56	389.05	8.09	-55.47
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012551219	0	53	0.0	-60.56	400.31	6.77	-53.79
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012551219	1	53	0.0	-66.55	399.49	6.84	-59.71
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012551220	0	54	0.0	-62.93	425.46	8.56	-54.37
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012551220	1	54	0.0	-62.78	425.71	8.64	-54.14
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012551221	0	54	0.0	-83.01	384.50	6.20	-76.81
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012551221	1	54	0.0	-82.00	390.63	6.16	-75.84
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012551222	0	55	0.0	-66.63	388.82	8.01	-58.62
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012551222	1	55	0.0	-66.25	381.86	8.01	-58.24
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012551223	0	54	0.0	-70.75	377.71	9.19	-61.56
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012551223	1	54	0.0	-69.78	370.62	9.22	-60.56
CC(C)[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551224	0	53	0.0	-63.62	367.79	7.09	-56.53
CC(C)[C@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551224	1	53	0.0	-66.61	374.17	7.07	-59.54
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551225	0	54	0.0	-64.37	391.24	8.83	-55.54
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551225	1	54	0.0	-66.03	397.02	8.85	-57.18
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012551226	0	57	0.0	-68.64	400.65	8.19	-60.45
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012551226	1	57	0.0	-66.99	400.28	8.17	-58.82
CCC[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551227	0	53	0.0	-63.26	376.61	7.53	-55.73
CCC[C@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551227	1	53	0.0	-66.34	382.98	7.52	-58.82
CCN(C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012551228	0	53	0.0	-62.53	362.81	8.61	-53.92
CCN(C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(C)C(=O)[O-]	REAL300012551228	1	53	0.0	-61.17	370.46	8.68	-52.49
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012551229	0	57	0.0	-45.53	389.37	10.15	-35.38
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012551229	1	57	0.0	-49.93	395.77	10.12	-39.81
CC(CN(C)C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551230	0	53	0.0	-70.98	366.67	8.50	-62.48
CC(CN(C)C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551230	1	53	0.0	-67.75	365.98	8.24	-59.51
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551231	0	56	0.0	-64.15	386.34	7.73	-56.42
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551231	1	56	0.0	-67.19	392.72	7.71	-59.48
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551232	0	53	0.0	-60.75	365.53	8.75	-52.00
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551232	1	53	0.0	-63.58	365.17	8.74	-54.84
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012551233	0	55	0.0	-75.52	386.35	4.64	-70.88
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012551233	1	55	0.0	-68.66	394.73	4.75	-63.91
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551234	0	63	0.0	-66.11	437.82	8.05	-58.06
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551234	1	63	0.0	-68.30	445.49	8.02	-60.28
CC1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012551235	0	57	0.0	-70.18	391.46	8.51	-61.67
CC1CCC(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012551235	1	57	0.0	-70.46	397.72	8.47	-61.99
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012551236	0	60	0.0	-70.51	407.47	9.20	-61.31
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012551236	1	60	0.0	-67.59	405.36	9.10	-58.49
COCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551237	0	54	0.0	-63.01	388.53	5.89	-57.12
COCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551237	1	54	0.0	-63.46	388.18	5.88	-57.58
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551238	0	60	0.0	-62.54	422.04	11.71	-50.83
CC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551238	1	60	0.0	-67.90	430.45	11.71	-56.19
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012551239	0	57	0.0	-71.40	392.16	9.16	-62.24
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012551239	1	57	0.0	-69.13	399.05	9.18	-59.95
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012551240	0	54	0.0	-68.49	378.72	8.13	-60.36
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012551240	1	54	0.0	-64.90	382.95	8.09	-56.81
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551241	0	63	0.0	-67.67	439.62	7.98	-59.69
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551241	1	63	0.0	-65.10	445.54	7.96	-57.14
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012551242	0	52	0.0	-77.13	371.28	5.13	-72.00
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012551242	1	52	0.0	-75.70	364.21	5.14	-70.56
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012551243	0	62	0.0	-55.03	433.45	12.28	-42.75
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012551243	1	62	0.0	-53.62	433.23	12.27	-41.35
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012551244	0	55	0.0	-62.44	383.05	5.66	-56.78
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012551244	1	55	0.0	-62.46	389.47	5.94	-56.52
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012551245	0	55	0.0	-74.19	375.76	9.80	-64.39
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012551245	1	55	0.0	-77.21	375.34	9.80	-67.41
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012551246	0	58	0.0	-74.03	429.53	8.88	-65.15
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012551246	1	58	0.0	-73.49	429.18	8.90	-64.59
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012551247	0	53	0.0	-73.51	369.56	7.33	-66.18
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012551247	1	53	0.0	-72.98	367.66	7.56	-65.42
CC1CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C1	REAL300012551248	0	57	0.0	-76.16	381.72	10.82	-65.34
CC1CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C1	REAL300012551248	1	57	0.0	-73.12	385.14	10.24	-62.88
CC(C1=CC=CC=C1)C(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551249	0	60	0.0	-65.67	428.71	10.19	-55.48
CC(C1=CC=CC=C1)C(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551249	1	60	0.0	-65.83	428.34	10.18	-55.65
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012551250	0	61	0.0	-62.88	434.28	9.93	-52.95
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012551250	1	61	0.0	-66.38	433.97	9.96	-56.42
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012551251	0	54	0.0	-63.87	388.75	7.78	-56.09
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012551251	1	54	0.0	-67.23	388.23	7.80	-59.43
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012551252	0	67	0.0	-65.74	448.46	9.61	-56.13
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012551252	1	67	0.0	-66.75	446.99	9.47	-57.28
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012551253	0	60	0.0	-68.37	415.43	8.93	-59.44
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012551253	1	60	0.0	-64.78	407.83	9.03	-55.75
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012551254	0	54	0.0	-63.87	388.75	7.78	-56.09
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012551254	1	54	0.0	-67.23	388.23	7.80	-59.43
CC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C1C(=O)[O-]	REAL300012551255	0	54	0.0	-73.75	375.21	8.93	-64.82
CC1CCN(C(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C1C(=O)[O-]	REAL300012551255	1	54	0.0	-70.89	376.39	8.80	-62.09
C=CCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551256	0	51	0.0	-64.35	375.11	7.19	-57.16
C=CCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551256	1	51	0.0	-63.53	368.02	7.21	-56.32
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012551257	0	61	0.0	-62.15	433.34	8.48	-53.67
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012551257	1	61	0.0	-66.84	435.45	7.99	-58.85
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012551258	0	61	0.0	-47.24	422.03	10.84	-36.40
CC1CCC[N@H+](C(C)(C)CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012551258	1	61	0.0	-37.69	400.55	10.50	-27.19
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012551259	0	61	0.0	-71.18	404.69	7.72	-63.46
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012551259	1	61	0.0	-67.88	411.51	7.77	-60.11
CC1=CC=CC2=C1CCN(C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C2C(=O)[O-]	REAL300012551260	0	61	0.0	-50.36	423.51	11.67	-38.69
CC1=CC=CC2=C1CCN(C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C2C(=O)[O-]	REAL300012551260	1	61	0.0	-80.82	419.38	12.23	-68.59
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012551261	0	55	0.0	-44.08	383.59	9.74	-34.34
CC1CCC[N@H+](C(C)(C)CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012551261	1	55	0.0	-40.01	384.42	9.59	-30.42
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012551262	0	61	0.0	-62.88	434.28	9.93	-52.95
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012551262	1	61	0.0	-66.38	433.97	9.96	-56.42
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012551263	0	57	0.0	-62.32	426.68	9.82	-52.50
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012551263	1	57	0.0	-60.94	419.35	9.90	-51.04
COC1CC(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012551264	0	55	0.0	-73.24	389.30	6.42	-66.82
COC1CC(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012551264	1	55	0.0	-64.21	394.35	6.33	-57.88
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012551265	0	51	0.0	-60.46	368.61	7.78	-52.68
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012551265	1	51	0.0	-67.20	371.04	7.48	-59.72
CO[C@H]1C[C@](NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012551266	0	55	0.0	-63.90	394.57	6.31	-57.59
CO[C@H]1C[C@](NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)(C(=O)[O-])C1	REAL300012551266	1	55	0.0	-64.43	387.64	6.33	-58.10
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012551267	0	54	0.0	-68.57	392.54	8.51	-60.06
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012551267	1	54	0.0	-65.15	401.44	8.51	-56.64
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551268	0	57	0.0	-71.74	384.27	10.43	-61.31
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551268	1	57	0.0	-72.87	393.59	10.48	-62.39
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012551269	0	50	0.0	-59.29	377.76	7.42	-51.87
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012551269	1	50	0.0	-59.53	369.85	7.48	-52.05
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012551270	0	58	0.0	-60.88	413.00	7.47	-53.41
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012551270	1	58	0.0	-66.33	416.51	6.90	-59.43
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012551271	0	49	0.0	-63.23	347.05	4.52	-58.71
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012551271	1	49	0.0	-62.83	346.32	4.54	-58.29
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012551272	0	54	0.0	-64.18	405.11	8.90	-55.28
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012551272	1	54	0.0	-67.69	405.01	8.82	-58.87
COCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012551273	0	61	0.0	-65.69	432.25	8.84	-56.85
COCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012551273	1	61	0.0	-65.95	431.70	8.79	-57.16
CC(C)C(C)(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551274	0	56	0.0	-63.73	375.99	7.82	-55.91
CC(C)C(C)(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551274	1	56	0.0	-63.84	373.81	7.76	-56.08
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012551275	0	52	0.0	-74.82	359.82	9.83	-64.99
CC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012551275	1	52	0.0	-75.61	360.80	9.86	-65.75
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012551276	0	55	0.0	-74.64	383.76	9.41	-65.23
CC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012551276	1	55	0.0	-72.12	383.51	9.23	-62.89
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551277	0	60	0.0	-45.18	420.34	12.51	-32.67
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551277	1	60	0.0	-44.74	425.75	12.45	-32.29
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012551278	0	63	0.0	-66.79	435.54	9.99	-56.80
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012551278	1	63	0.0	-66.38	434.24	9.97	-56.41
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551279	0	60	0.0	-63.98	436.27	10.62	-53.36
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551279	1	60	0.0	-66.90	442.06	10.55	-56.35
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551280	0	60	0.0	-66.56	436.27	10.62	-55.94
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551280	1	60	0.0	-64.88	442.89	10.55	-54.33
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012551281	0	61	0.0	-65.18	416.46	9.55	-55.63
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012551281	1	61	0.0	-64.18	421.94	9.46	-54.72
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012551282	0	63	0.0	-66.85	435.23	9.99	-56.86
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012551282	1	63	0.0	-64.29	441.87	9.96	-54.33
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012551283	0	63	0.0	-63.83	435.44	9.96	-53.87
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012551283	1	63	0.0	-66.66	440.99	9.96	-56.70
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012551284	0	61	0.0	-43.92	422.49	10.61	-33.31
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012551284	1	61	0.0	-46.09	416.23	10.59	-35.50
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012551285	0	61	0.0	-73.63	420.36	10.55	-63.08
CC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012551285	1	61	0.0	-72.52	417.78	10.42	-62.10
COC1=CC=C(CC(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012551286	0	61	0.0	-69.06	443.03	9.08	-59.98
COC1=CC=C(CC(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012551286	1	61	0.0	-66.71	442.37	9.13	-57.58
C=CCSCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551287	0	55	0.0	-62.73	413.08	8.56	-54.17
C=CCSCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551287	1	55	0.0	-62.80	412.49	8.62	-54.18
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012551288	0	58	0.0	-66.97	434.10	10.24	-56.73
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012551288	1	58	0.0	-65.28	433.99	10.18	-55.10
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551289	0	56	0.0	-60.74	379.97	9.63	-51.11
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551289	1	56	0.0	-61.02	385.68	9.44	-51.58
COC1(C(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012551290	0	58	0.0	-69.94	403.34	6.62	-63.32
COC1(C(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])CCC1	REAL300012551290	1	58	0.0	-66.22	409.20	6.58	-59.64
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012551291	0	60	0.0	-67.40	422.81	9.73	-57.67
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012551291	1	60	0.0	-66.46	416.27	9.04	-57.42
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012551292	0	61	0.0	-67.03	422.54	10.90	-56.13
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012551292	1	61	0.0	-70.14	428.96	10.88	-59.26
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012551293	0	54	0.0	-65.53	385.90	8.20	-57.33
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012551293	1	54	0.0	-70.01	394.85	8.26	-61.75
CC(C)C1=CC=C(C(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012551295	0	63	0.0	-65.42	451.25	10.85	-54.57
CC(C)C1=CC=C(C(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012551295	1	63	0.0	-66.11	451.11	10.76	-55.35
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012551296	0	51	0.0	-71.37	367.10	8.73	-62.64
CC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012551296	1	51	0.0	-70.39	360.02	8.74	-61.65
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012551297	0	53	0.0	-46.09	376.29	9.45	-36.64
CC1CCC[N@H+](C(C)(C)CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012551297	1	53	0.0	-39.68	376.38	9.49	-30.19
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012551298	0	57	0.0	-70.07	395.51	9.58	-60.49
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012551298	1	57	0.0	-73.35	397.69	9.17	-64.18
CCOC1=CC=C(C(NC(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012551299	0	61	0.0	-64.28	442.60	9.06	-55.22
CCOC1=CC=C(C(NC(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C(=O)[O-])C=C1	REAL300012551299	1	61	0.0	-66.30	442.23	9.05	-57.25
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012551300	0	61	0.0	-74.89	410.13	11.39	-63.50
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012551300	1	61	0.0	-73.59	408.69	11.29	-62.30
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012551301	0	61	0.0	-69.60	430.54	11.00	-58.60
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012551301	1	61	0.0	-67.51	437.33	11.28	-56.23
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551302	0	61	0.0	-69.19	433.69	9.89	-59.30
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551302	1	61	0.0	-72.06	433.35	9.87	-62.19
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012551303	0	57	0.0	-60.13	421.76	10.04	-50.09
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012551303	1	57	0.0	-62.67	427.87	10.08	-52.59
CC(C)CCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551304	0	59	0.0	-63.35	415.66	8.82	-54.53
CC(C)CCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551304	1	59	0.0	-65.80	415.07	8.88	-56.92
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012551305	0	58	0.0	-44.01	407.71	10.20	-33.81
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012551305	1	58	0.0	-41.36	401.34	10.11	-31.25
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012551306	0	58	0.0	-60.88	413.00	7.47	-53.41
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012551306	1	58	0.0	-66.33	416.51	6.90	-59.43
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C1	REAL300012551307	0	55	0.0	-71.78	403.70	9.81	-61.97
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C1	REAL300012551307	1	55	0.0	-70.64	396.71	9.84	-60.80
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012551308	0	58	0.0	-73.37	397.16	9.60	-63.77
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012551308	1	58	0.0	-69.14	396.82	9.61	-59.53
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012551309	0	55	0.0	-68.25	377.62	8.73	-59.52
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012551309	1	55	0.0	-67.50	378.47	8.52	-58.98
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012551310	0	58	0.0	-68.23	405.32	9.07	-59.16
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012551310	1	58	0.0	-67.10	398.50	9.09	-58.01
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551311	0	60	0.0	-65.98	422.18	11.71	-54.27
CC1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551311	1	60	0.0	-63.06	422.25	11.79	-51.27
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012551312	0	64	0.0	-40.15	430.77	11.07	-29.08
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012551312	1	64	0.0	-40.63	429.43	11.13	-29.50
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012551313	0	57	0.0	-67.54	398.14	8.26	-59.28
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012551313	1	57	0.0	-64.18	390.98	8.33	-55.85
CO[C@H](C)[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551314	0	54	0.0	-64.11	385.11	6.01	-58.10
CO[C@H](C)[C@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551314	1	54	0.0	-66.80	391.00	5.99	-60.81
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551315	0	54	0.0	-67.77	376.07	7.99	-59.78
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551315	1	54	0.0	-71.48	380.62	8.30	-63.18
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012551316	0	57	0.0	-49.14	405.90	11.29	-37.85
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012551316	1	57	0.0	-50.60	411.68	11.56	-39.04
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012551317	0	57	0.0	-41.81	394.56	9.41	-32.40
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012551317	1	57	0.0	-46.26	402.43	9.40	-36.86
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012551318	0	54	0.0	-71.99	375.92	9.77	-62.22
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012551318	1	54	0.0	-72.94	382.36	9.73	-63.21
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012551319	0	51	0.0	-71.78	370.55	8.83	-62.95
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012551319	1	51	0.0	-75.06	374.13	8.38	-66.68
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012551320	0	57	0.0	-62.32	426.68	9.82	-52.50
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012551320	1	57	0.0	-60.94	419.35	9.90	-51.04
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012551321	0	54	0.0	-65.76	404.20	8.77	-56.99
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012551321	1	54	0.0	-64.06	404.00	8.71	-55.35
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012551322	0	54	0.0	-71.65	390.17	9.40	-62.25
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012551322	1	54	0.0	-68.38	389.80	9.43	-58.95
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012551323	0	58	0.0	-71.04	425.02	9.47	-61.57
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012551323	1	58	0.0	-68.87	424.62	9.50	-59.37
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012551324	0	54	0.0	-65.76	404.20	8.77	-56.99
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012551324	1	54	0.0	-64.06	404.00	8.71	-55.35
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012551325	0	58	0.0	-75.68	398.09	9.68	-66.00
CC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012551325	1	58	0.0	-72.56	399.20	9.99	-62.57
COCCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551326	0	57	0.0	-62.15	410.03	6.66	-55.49
COCCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551326	1	57	0.0	-64.66	409.68	6.66	-58.00
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300012551327	0	56	0.0	-63.17	387.01	9.62	-53.55
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300012551327	1	56	0.0	-64.03	393.41	9.50	-54.53
CCOCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551328	0	54	0.0	-67.09	388.68	6.03	-61.06
CCOCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300012551328	1	54	0.0	-67.11	387.97	5.96	-61.15
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012551329	0	59	0.0	-66.96	405.39	9.03	-57.93
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012551329	1	59	0.0	-63.89	405.34	9.21	-54.68
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012551330	0	58	0.0	-68.46	406.91	7.29	-61.17
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012551330	1	58	0.0	-69.38	412.73	7.31	-62.07
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012551331	0	58	0.0	-68.99	410.59	10.08	-58.91
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012551331	1	58	0.0	-67.17	416.97	10.15	-57.02
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012551332	0	55	0.0	-73.33	376.37	8.28	-65.05
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012551332	1	55	0.0	-73.59	383.22	8.20	-65.39
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012551333	0	57	0.0	-64.49	396.52	9.63	-54.86
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012551333	1	57	0.0	-63.97	396.02	9.65	-54.32
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012551334	0	51	0.0	-64.91	375.96	7.27	-57.64
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012551334	1	51	0.0	-67.86	375.36	7.32	-60.54
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012551335	0	54	0.0	-47.47	400.52	9.70	-37.77
CC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012551335	1	54	0.0	-52.27	395.72	9.86	-42.41
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012551336	0	65	0.0	-75.52	434.70	10.56	-64.96
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012551336	1	65	0.0	-72.80	426.35	10.29	-62.51
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012551337	0	56	0.0	-59.87	425.03	8.47	-51.40
CC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012551337	1	56	0.0	-60.31	424.69	8.46	-51.85
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C1	REAL300012551338	0	58	0.0	-70.62	409.71	8.33	-62.29
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C1	REAL300012551338	1	58	0.0	-73.46	416.14	8.30	-65.16
CC(C)C[C@H](NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551339	0	54	0.0	-71.53	412.10	9.37	-62.16
CC(C)C[C@H](NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551339	1	54	0.0	-71.07	412.99	9.31	-61.76
C=CCOCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551340	0	53	0.0	-72.17	421.46	7.84	-64.33
C=CCOCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551340	1	53	0.0	-74.48	420.90	7.80	-66.68
C=CC(C)C(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551341	0	52	0.0	-70.99	399.17	8.92	-62.07
C=CC(C)C(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551341	1	52	0.0	-70.81	398.00	8.72	-62.09
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012551342	0	56	0.0	-72.87	424.37	8.04	-64.83
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012551342	1	56	0.0	-70.25	420.53	7.89	-62.36
COC1CCN(C(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012551343	0	56	0.0	-82.00	415.24	10.27	-71.73
COC1CCN(C(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012551343	1	56	0.0	-80.11	414.56	9.91	-70.20
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012551344	0	56	0.0	-70.33	422.36	8.10	-62.23
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012551344	1	56	0.0	-68.79	421.32	8.04	-60.75
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])C1	REAL300012551345	0	55	0.0	-81.08	405.16	11.83	-69.25
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])C1	REAL300012551345	1	55	0.0	-80.29	405.22	11.65	-68.64
CC1=CC(C(NC(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])=CC=C1F	REAL300012551346	0	55	0.0	-68.87	437.24	10.78	-58.09
CC1=CC(C(NC(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])=CC=C1F	REAL300012551346	1	55	0.0	-68.04	436.08	10.74	-57.30
CC1=CC(C)=CC(C(NC(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012551347	0	58	0.0	-72.00	453.08	11.47	-60.53
CC1=CC(C)=CC(C(NC(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012551347	1	58	0.0	-71.65	452.17	11.36	-60.29
CC1=CC=C(C(NC(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300012551348	0	58	0.0	-72.00	448.73	11.37	-60.63
CC1=CC=C(C(NC(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300012551348	1	58	0.0	-72.18	447.99	11.18	-61.00
CC1=CC=CC(C(NC(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])=C1C	REAL300012551349	0	58	0.0	-71.71	443.30	11.23	-60.48
CC1=CC=CC(C(NC(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])=C1C	REAL300012551349	1	58	0.0	-71.98	440.26	10.99	-60.99
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551350	0	51	0.0	-56.51	394.41	10.57	-45.94
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551350	1	51	0.0	-56.59	387.70	10.24	-46.35
CC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C1CCC1	REAL300012551351	0	55	0.0	-46.20	402.42	11.59	-34.61
CC(C(=O)[O-])N(C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C1CCC1	REAL300012551351	1	55	0.0	-61.71	405.74	10.93	-50.78
CCCN(C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(COC)C(=O)[O-]	REAL300012551352	0	58	0.0	-72.65	435.74	11.60	-61.05
CCCN(C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(COC)C(=O)[O-]	REAL300012551352	1	58	0.0	-74.52	435.98	11.51	-63.01
CCCN(C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012551353	0	57	0.0	-69.31	420.07	11.43	-57.88
CCCN(C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012551353	1	57	0.0	-70.27	419.37	11.44	-58.83
CC(C)C(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551354	0	51	0.0	-71.19	386.40	8.38	-62.81
CC(C)C(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551354	1	51	0.0	-71.20	391.32	8.58	-62.62
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012551355	0	52	0.0	-79.46	383.77	10.93	-68.53
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012551355	1	52	0.0	-80.10	384.39	11.05	-69.05
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012551356	0	50	0.0	-80.05	384.80	11.17	-68.88
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012551356	1	50	0.0	-77.49	383.83	10.79	-66.70
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012551357	0	55	0.0	-73.39	403.90	10.23	-63.16
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012551357	1	55	0.0	-73.70	403.00	10.09	-63.61
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCCC2C(=O)[O-])C1	REAL300012551358	0	49	0.0	-77.56	375.44	9.52	-68.04
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCCC2C(=O)[O-])C1	REAL300012551358	1	49	0.0	-76.87	374.40	9.39	-67.48
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012551359	0	52	0.0	-73.46	389.31	9.14	-64.32
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012551359	1	52	0.0	-72.66	388.49	9.00	-63.66
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012551360	0	58	0.0	-75.19	409.89	10.85	-64.34
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012551360	1	58	0.0	-74.83	409.37	10.88	-63.95
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551361	0	55	0.0	-72.39	432.52	11.02	-61.37
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551361	1	55	0.0	-72.02	431.62	10.97	-61.05
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012551362	0	55	0.0	-56.37	431.91	12.81	-43.56
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012551362	1	55	0.0	-57.71	430.41	12.70	-45.01
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551363	0	52	0.0	-71.68	410.16	10.16	-61.52
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551363	1	52	0.0	-72.73	410.22	10.16	-62.57
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551364	0	52	0.0	-72.63	410.50	10.08	-62.55
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551364	1	52	0.0	-73.19	410.46	10.08	-63.11
CCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551365	0	48	0.0	-71.58	374.98	8.00	-63.58
CCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551365	1	48	0.0	-69.74	373.18	7.95	-61.79
CC(C)C(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551366	0	51	0.0	-71.19	386.40	8.38	-62.81
CC(C)C(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551366	1	51	0.0	-71.20	391.32	8.58	-62.62
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(C)CC(=O)[O-])C1	REAL300012551367	0	45	0.0	-71.64	350.36	8.84	-62.80
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(C)CC(=O)[O-])C1	REAL300012551367	1	45	0.0	-70.78	349.27	8.72	-62.06
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551368	0	55	0.0	-72.39	432.52	11.02	-61.37
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551368	1	55	0.0	-72.02	431.62	10.97	-61.05
CC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551369	0	45	0.0	-62.92	352.86	6.94	-55.98
CC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551369	1	45	0.0	-62.94	351.66	6.87	-56.07
CCC(C)C(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551370	0	54	0.0	-71.15	403.96	8.95	-62.20
CCC(C)C(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551370	1	54	0.0	-70.27	403.43	8.92	-61.35
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(C)CC(=O)[O-])C1	REAL300012551371	0	45	0.0	-71.64	350.36	8.84	-62.80
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(C)CC(=O)[O-])C1	REAL300012551371	1	45	0.0	-70.78	349.27	8.72	-62.06
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012551372	0	52	0.0	-79.46	383.77	10.93	-68.53
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012551372	1	52	0.0	-80.10	384.39	11.05	-69.05
CCCC(C)(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551373	0	54	0.0	-69.86	398.65	9.02	-60.84
CCCC(C)(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551373	1	54	0.0	-69.01	399.12	9.01	-60.00
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551374	0	51	0.0	-53.09	382.51	10.10	-42.99
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551374	1	51	0.0	-56.89	382.41	10.09	-46.80
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012551375	0	49	0.0	-53.00	375.78	10.24	-42.76
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012551375	1	49	0.0	-57.43	375.97	10.28	-47.15
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551376	0	49	0.0	-55.96	385.13	10.41	-45.55
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551376	1	49	0.0	-57.55	384.16	10.27	-47.28
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551377	0	54	0.0	-53.79	408.21	10.87	-42.92
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551377	1	54	0.0	-57.70	407.57	10.97	-46.73
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012551378	0	56	0.0	-82.09	422.89	13.38	-68.71
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012551378	1	56	0.0	-80.27	422.24	13.01	-67.26
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C)(C)C(=O)[O-])C1	REAL300012551379	0	48	0.0	-61.12	365.14	7.43	-53.69
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C)(C)C(=O)[O-])C1	REAL300012551379	1	48	0.0	-62.05	365.03	7.39	-54.66
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012551380	0	52	0.0	-71.83	387.81	9.12	-62.71
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012551380	1	52	0.0	-70.54	387.86	9.13	-61.41
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012551381	0	49	0.0	-70.12	401.54	9.19	-60.93
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012551381	1	49	0.0	-70.24	401.20	9.04	-61.20
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012551382	0	55	0.0	-73.39	403.90	10.23	-63.16
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012551382	1	55	0.0	-73.70	403.00	10.09	-63.61
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551383	0	51	0.0	-53.09	382.51	10.10	-42.99
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551383	1	51	0.0	-56.89	382.41	10.09	-46.80
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551384	0	51	0.0	-56.51	394.41	10.57	-45.94
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551384	1	51	0.0	-56.59	387.70	10.24	-46.35
CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551385	0	48	0.0	-71.38	372.30	9.81	-61.57
CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551385	1	48	0.0	-70.49	372.18	9.84	-60.65
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551386	0	54	0.0	-71.43	403.81	8.95	-62.48
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551386	1	54	0.0	-71.73	405.53	8.97	-62.76
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012551387	0	52	0.0	-73.46	389.31	9.14	-64.32
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012551387	1	52	0.0	-72.66	388.49	9.00	-63.66
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012551388	0	55	0.0	-52.85	437.49	12.89	-39.96
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012551388	1	55	0.0	-54.70	430.68	12.49	-42.21
CCC(C)(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551389	0	51	0.0	-70.44	378.53	8.41	-62.03
CCC(C)(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551389	1	51	0.0	-69.53	377.63	8.25	-61.28
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012551390	0	56	0.0	-73.42	430.08	11.33	-62.09
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012551390	1	56	0.0	-73.01	428.91	11.26	-61.75
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551391	0	55	0.0	-72.54	418.33	10.85	-61.69
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551391	1	55	0.0	-71.05	417.39	10.73	-60.32
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@@H](C)C(=O)[O-])C1	REAL300012551392	0	45	0.0	-62.58	352.40	7.05	-55.53
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@@H](C)C(=O)[O-])C1	REAL300012551392	1	45	0.0	-62.83	351.92	6.90	-55.93
CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551393	0	48	0.0	-71.38	372.30	9.81	-61.57
CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551393	1	48	0.0	-70.49	372.18	9.84	-60.65
CCCCCCC(C)(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551394	0	63	0.0	-70.01	463.14	11.35	-58.66
CCCCCCC(C)(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551394	1	63	0.0	-69.06	463.62	11.34	-57.72
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551395	0	58	0.0	-70.59	443.69	12.95	-57.64
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551395	1	58	0.0	-70.96	440.94	12.93	-58.03
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@H](C)C(=O)[O-])C1	REAL300012551396	0	45	0.0	-62.90	352.43	6.99	-55.91
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@H](C)C(=O)[O-])C1	REAL300012551396	1	45	0.0	-63.64	352.45	6.99	-56.65
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC2)C1	REAL300012551397	0	46	0.0	-76.47	358.53	8.20	-68.27
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC2)C1	REAL300012551397	1	46	0.0	-76.02	358.70	8.06	-67.96
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012551398	0	50	0.0	-77.49	375.21	8.47	-69.02
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012551398	1	50	0.0	-77.91	375.68	8.64	-69.27
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012551399	0	58	0.0	-76.72	413.15	11.54	-65.18
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012551399	1	58	0.0	-75.59	412.27	11.41	-64.18
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012551400	0	49	0.0	-70.97	378.60	8.48	-62.49
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012551400	1	49	0.0	-69.61	380.81	8.37	-61.24
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012551401	0	58	0.0	-57.66	454.32	13.59	-44.07
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012551401	1	58	0.0	-57.24	447.61	13.26	-43.98
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551402	0	55	0.0	-69.99	417.80	11.63	-58.36
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551402	1	55	0.0	-69.56	417.30	11.59	-57.97
COCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551403	0	52	0.0	-55.11	403.68	9.33	-45.78
COCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551403	1	52	0.0	-56.74	394.61	9.63	-47.11
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012551404	0	56	0.0	-74.71	425.84	11.15	-63.56
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012551404	1	56	0.0	-73.88	424.22	11.02	-62.86
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012551405	0	49	0.0	-78.84	374.05	9.41	-69.43
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012551405	1	49	0.0	-76.93	374.37	9.39	-67.54
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012551406	0	52	0.0	-79.23	383.79	10.96	-68.27
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012551406	1	52	0.0	-79.27	383.76	10.89	-68.38
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])C1	REAL300012551407	0	48	0.0	-67.97	365.29	9.07	-58.90
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])C1	REAL300012551407	1	48	0.0	-68.62	364.80	8.97	-59.65
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012551408	0	49	0.0	-77.17	373.88	9.52	-67.65
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012551408	1	49	0.0	-77.47	375.43	9.52	-67.95
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012551409	0	49	0.0	-75.82	375.09	8.74	-67.08
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012551409	1	49	0.0	-75.39	375.24	8.59	-66.80
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CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012551413	0	49	0.0	-70.97	378.60	8.48	-62.49
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012551413	1	49	0.0	-69.61	380.81	8.37	-61.24
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551414	0	48	0.0	-67.37	364.68	8.98	-58.39
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551414	1	48	0.0	-68.39	364.43	8.84	-59.55
CCCCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551415	0	54	0.0	-70.74	417.15	9.56	-61.18
CCCCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551415	1	54	0.0	-69.66	416.18	9.49	-60.17
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012551416	0	58	0.0	-57.66	454.32	13.59	-44.07
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012551416	1	58	0.0	-57.24	447.61	13.26	-43.98
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012551417	0	52	0.0	-76.35	390.08	10.47	-65.88
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012551417	1	52	0.0	-76.54	390.08	10.46	-66.08
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012551418	0	55	0.0	-57.25	408.14	11.27	-45.98
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012551418	1	55	0.0	-56.83	408.53	11.40	-45.43
COCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551419	0	49	0.0	-72.38	386.35	6.23	-66.15
COCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551419	1	49	0.0	-73.74	386.14	6.25	-67.49
CCCCCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551420	0	57	0.0	-71.49	439.48	10.32	-61.17
CCCCCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551420	1	57	0.0	-70.74	438.78	10.33	-60.41
CCC1CCC(NC(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300012551421	0	61	0.0	-74.06	442.84	11.47	-62.59
CCC1CCC(NC(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300012551421	1	61	0.0	-70.89	436.76	10.76	-60.13
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012551422	0	56	0.0	-56.15	417.70	9.71	-46.44
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012551422	1	56	0.0	-57.36	416.24	9.60	-47.76
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012551423	0	55	0.0	-76.97	399.75	10.85	-66.12
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012551423	1	55	0.0	-78.87	399.70	10.82	-68.05
CC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C1CC1	REAL300012551424	0	52	0.0	-58.15	390.74	10.43	-47.72
CC(C(=O)[O-])N(C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C1CC1	REAL300012551424	1	52	0.0	-59.73	390.96	10.41	-49.32
CCC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C1CC1	REAL300012551425	0	55	0.0	-58.68	411.66	11.64	-47.04
CCC(C(=O)[O-])N(C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C1CC1	REAL300012551425	1	55	0.0	-60.36	411.09	11.48	-48.88
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012551426	0	52	0.0	-78.60	414.92	10.18	-68.42
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012551426	1	52	0.0	-76.45	413.22	10.05	-66.40
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012551427	0	56	0.0	-58.70	425.45	12.52	-46.18
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012551427	1	56	0.0	-61.50	424.28	12.40	-49.10
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012551428	0	61	0.0	-71.41	454.70	11.21	-60.20
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012551428	1	61	0.0	-71.67	453.82	11.10	-60.57
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551429	0	58	0.0	-55.28	443.46	13.65	-41.63
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551429	1	58	0.0	-54.54	443.02	13.32	-41.22
CC1=CC=C(C(NC(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300012551430	0	55	0.0	-71.84	431.92	10.77	-61.07
CC1=CC=C(C(NC(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300012551430	1	55	0.0	-73.27	431.87	10.75	-62.52
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012551431	0	48	0.0	-65.81	390.91	8.69	-57.12
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012551431	1	48	0.0	-64.34	389.10	8.65	-55.69
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012551432	0	53	0.0	-69.90	401.68	9.90	-60.00
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012551432	1	53	0.0	-70.02	400.65	9.76	-60.26
COCC(C)(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551433	0	52	0.0	-75.20	395.39	7.55	-67.65
COCC(C)(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551433	1	52	0.0	-73.32	395.87	7.54	-65.78
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551434	0	55	0.0	-69.97	417.72	9.38	-60.59
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551434	1	55	0.0	-68.75	415.64	9.25	-59.50
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551435	0	54	0.0	-53.79	408.21	10.87	-42.92
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551435	1	54	0.0	-57.70	407.57	10.97	-46.73
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012551436	0	49	0.0	-53.00	375.78	10.24	-42.76
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012551436	1	49	0.0	-57.43	375.97	10.28	-47.15
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012551437	0	51	0.0	-57.09	412.54	10.95	-46.14
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012551437	1	51	0.0	-53.51	405.83	10.62	-42.89
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012551438	0	50	0.0	-70.65	380.12	6.52	-64.13
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012551438	1	50	0.0	-69.54	379.15	6.40	-63.14
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012551439	0	58	0.0	-72.52	428.73	10.21	-62.31
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012551439	1	58	0.0	-72.18	427.14	10.16	-62.02
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012551440	0	59	0.0	-69.27	444.49	10.84	-58.43
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012551440	1	59	0.0	-68.62	443.01	10.59	-58.03
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012551441	0	53	0.0	-72.98	395.39	7.74	-65.24
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012551441	1	53	0.0	-73.19	394.43	7.60	-65.59
C=CCCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551442	0	52	0.0	-70.33	409.29	9.32	-61.01
C=CCCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551442	1	52	0.0	-69.96	407.73	9.22	-60.74
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CF)C(=O)[O-])C1	REAL300012551443	0	45	0.0	-59.98	356.77	6.99	-52.99
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CF)C(=O)[O-])C1	REAL300012551443	1	45	0.0	-60.33	355.91	7.03	-53.30
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C1	REAL300012551444	0	58	0.0	-46.37	441.82	13.79	-32.58
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C1	REAL300012551444	1	58	0.0	-49.74	442.42	13.52	-36.22
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551445	0	48	0.0	-67.37	364.68	8.98	-58.39
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551445	1	48	0.0	-68.39	364.43	8.84	-59.55
CCC(CC)(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551446	0	54	0.0	-71.65	395.17	9.26	-62.39
CCC(CC)(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551446	1	54	0.0	-70.70	394.24	9.13	-61.57
COC1=CC=C(C(NC(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300012551447	0	56	0.0	-71.02	440.41	9.45	-61.57
COC1=CC=C(C(NC(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300012551447	1	56	0.0	-71.27	439.10	9.24	-62.03
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551448	0	54	0.0	-53.69	405.79	11.31	-42.38
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551448	1	54	0.0	-55.03	402.94	11.15	-43.88
CCC(COC)(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551449	0	55	0.0	-75.32	413.80	8.56	-66.76
CCC(COC)(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551449	1	55	0.0	-75.43	412.48	8.43	-67.00
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551450	0	58	0.0	-70.54	437.99	10.13	-60.41
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551450	1	58	0.0	-70.56	436.56	9.95	-60.61
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012551451	0	52	0.0	-69.81	406.27	9.55	-60.26
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012551451	1	52	0.0	-70.14	405.54	9.32	-60.82
COCCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551452	0	52	0.0	-70.87	408.66	7.06	-63.81
COCCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551452	1	52	0.0	-70.15	406.85	7.01	-63.14
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551453	0	57	0.0	-69.93	424.90	11.41	-58.52
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551453	1	57	0.0	-68.34	422.96	11.41	-56.93
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012551454	0	48	0.0	-70.01	387.09	8.35	-61.66
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012551454	1	48	0.0	-65.35	383.79	8.47	-56.88
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551455	0	58	0.0	-77.97	427.60	12.39	-65.58
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551455	1	58	0.0	-80.08	427.46	12.37	-67.71
CCCN(C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012551456	0	54	0.0	-69.88	407.01	11.32	-58.56
CCCN(C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012551456	1	54	0.0	-69.56	403.45	10.54	-59.02
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551457	0	58	0.0	-47.70	442.44	13.74	-33.96
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551457	1	58	0.0	-50.28	439.80	13.74	-36.54
CCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012551458	0	58	0.0	-72.25	435.91	11.73	-60.52
CCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012551458	1	58	0.0	-71.77	434.42	11.63	-60.14
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CCF)C(=O)[O-])C1	REAL300012551459	0	48	0.0	-69.58	381.57	8.14	-61.44
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CCF)C(=O)[O-])C1	REAL300012551459	1	48	0.0	-68.85	379.77	8.09	-60.76
COC1(CC(NC(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300012551460	0	59	0.0	-72.27	443.90	9.45	-62.82
COC1(CC(NC(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300012551460	1	59	0.0	-71.05	442.87	9.35	-61.70
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012551461	0	56	0.0	-56.15	417.70	9.71	-46.44
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012551461	1	56	0.0	-57.36	416.24	9.60	-47.76
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012551462	0	58	0.0	-57.72	425.53	11.97	-45.75
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012551462	1	58	0.0	-56.49	425.14	11.98	-44.51
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300012551463	0	58	0.0	-75.02	416.40	10.49	-64.53
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300012551463	1	58	0.0	-74.97	416.35	10.47	-64.50
COC1=CC=CC(C(NC(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012551464	0	56	0.0	-74.22	440.04	9.39	-64.83
COC1=CC=CC(C(NC(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012551464	1	56	0.0	-73.21	438.91	9.34	-63.87
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012551465	0	51	0.0	-66.92	383.74	8.41	-58.51
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012551465	1	51	0.0	-66.12	384.21	8.39	-57.73
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012551466	0	53	0.0	-61.22	408.46	10.65	-50.57
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012551466	1	53	0.0	-61.01	406.58	10.42	-50.59
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012551467	0	49	0.0	-73.10	388.17	9.68	-63.42
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012551467	1	49	0.0	-72.21	387.03	9.74	-62.47
COC1=CC=CC([C@H](NC(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012551468	0	56	0.0	-74.30	439.61	9.45	-64.85
COC1=CC=CC([C@H](NC(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012551468	1	56	0.0	-75.17	439.31	9.41	-65.76
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1	REAL300012551469	0	48	0.0	-67.33	364.86	9.03	-58.30
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1	REAL300012551469	1	48	0.0	-67.85	363.82	8.88	-58.97
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012551470	0	61	0.0	-75.04	431.80	11.09	-63.95
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012551470	1	61	0.0	-76.34	431.31	10.97	-65.37
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012551471	0	50	0.0	-82.99	380.43	10.54	-72.45
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012551471	1	50	0.0	-79.38	378.24	10.41	-68.97
COC1CN(C(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300012551472	0	56	0.0	-73.43	423.06	9.53	-63.90
COC1CN(C(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300012551472	1	56	0.0	-76.47	422.67	9.32	-67.15
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012551473	0	59	0.0	-69.64	441.61	9.56	-60.08
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012551473	1	59	0.0	-69.94	440.59	9.40	-60.54
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012551474	0	54	0.0	-71.25	403.54	9.13	-62.12
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012551474	1	54	0.0	-71.71	404.70	9.00	-62.71
C=C(Cl)CC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551475	0	49	0.0	-66.52	402.84	9.13	-57.39
C=C(Cl)CC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551475	1	49	0.0	-70.61	402.72	9.08	-61.53
C=C(C)CC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551476	0	52	0.0	-71.17	408.12	9.31	-61.86
C=C(C)CC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551476	1	52	0.0	-70.21	403.57	9.34	-60.87
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012551477	0	53	0.0	-82.95	393.06	11.37	-71.58
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012551477	1	53	0.0	-80.80	392.02	11.22	-69.58
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012551478	0	49	0.0	-71.97	386.50	9.57	-62.40
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012551478	1	49	0.0	-72.81	386.90	9.68	-63.13
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012551479	0	49	0.0	-75.43	380.33	9.60	-65.83
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012551479	1	49	0.0	-75.23	380.26	9.61	-65.62
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C1	REAL300012551480	0	50	0.0	-76.47	387.40	10.04	-66.43
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C1	REAL300012551480	1	50	0.0	-76.50	387.50	10.00	-66.50
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012551481	0	59	0.0	-70.97	442.20	9.47	-61.50
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012551481	1	59	0.0	-70.62	440.67	9.36	-61.26
CC(C)C[C@H](NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551482	0	54	0.0	-71.53	412.10	9.37	-62.16
CC(C)C[C@H](NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551482	1	54	0.0	-71.07	412.99	9.31	-61.76
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012551483	0	56	0.0	-72.87	424.37	8.04	-64.83
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012551483	1	56	0.0	-70.25	420.53	7.89	-62.36
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551484	0	52	0.0	-72.63	410.50	10.08	-62.55
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551484	1	52	0.0	-73.19	410.46	10.08	-63.11
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012551485	0	52	0.0	-69.81	406.27	9.55	-60.26
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012551485	1	52	0.0	-70.14	405.54	9.32	-60.82
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012551486	0	51	0.0	-71.02	419.30	8.21	-62.81
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012551486	1	51	0.0	-69.41	418.39	8.06	-61.35
CC(C)CCCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551487	0	60	0.0	-70.79	456.21	10.84	-59.95
CC(C)CCCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551487	1	60	0.0	-69.96	455.51	10.86	-59.10
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012551488	0	56	0.0	-75.02	430.25	8.36	-66.66
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012551488	1	56	0.0	-73.82	429.36	8.30	-65.52
CSCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551489	0	49	0.0	-67.38	398.44	8.42	-58.96
CSCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551489	1	49	0.0	-69.08	397.74	8.43	-60.65
COC[C@H](NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551490	0	49	0.0	-72.35	385.74	6.24	-66.11
COC[C@H](NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551490	1	49	0.0	-71.50	385.24	6.12	-65.38
CC[C@H](NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551491	0	48	0.0	-71.67	374.39	8.06	-63.61
CC[C@H](NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551491	1	48	0.0	-69.96	373.03	7.90	-62.06
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012551492	0	55	0.0	-71.07	439.07	11.09	-59.98
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012551492	1	55	0.0	-71.03	438.46	11.04	-59.99
CCC(C)CC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551493	0	57	0.0	-71.08	431.08	9.97	-61.11
CCC(C)CC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551493	1	57	0.0	-69.99	430.11	9.90	-60.09
C=CCCCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551494	0	55	0.0	-71.01	430.79	10.10	-60.91
C=CCCCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551494	1	55	0.0	-69.40	429.26	10.13	-59.27
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012551495	0	55	0.0	-70.83	438.91	11.15	-59.68
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012551495	1	55	0.0	-70.44	439.06	11.09	-59.35
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012551496	0	50	0.0	-80.05	384.80	11.17	-68.88
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012551496	1	50	0.0	-77.49	383.83	10.79	-66.70
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551497	0	55	0.0	-72.54	418.33	10.85	-61.69
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551497	1	55	0.0	-71.05	417.39	10.73	-60.32
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012551498	0	49	0.0	-78.84	374.05	9.41	-69.43
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012551498	1	49	0.0	-76.93	374.37	9.39	-67.54
CCCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551499	0	51	0.0	-71.54	396.48	8.76	-62.78
CCCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551499	1	51	0.0	-70.14	394.08	8.67	-61.47
CC(C)[C@@H](NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551500	0	51	0.0	-72.55	386.46	8.37	-64.18
CC(C)[C@@H](NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551500	1	51	0.0	-72.74	391.32	8.58	-64.16
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012551501	0	53	0.0	-83.52	395.11	11.51	-72.01
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012551501	1	53	0.0	-80.72	393.90	11.36	-69.36
CCN(C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012551502	0	54	0.0	-73.85	399.04	10.75	-63.10
CCN(C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012551502	1	54	0.0	-74.32	398.64	10.66	-63.66
CCCN(C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012551503	0	54	0.0	-69.88	407.01	11.32	-58.56
CCCN(C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012551503	1	54	0.0	-69.56	403.45	10.54	-59.02
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012551504	0	48	0.0	-67.01	386.71	10.32	-56.69
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012551504	1	48	0.0	-72.06	378.46	9.96	-62.10
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012551505	0	48	0.0	-67.01	386.71	10.32	-56.69
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012551505	1	48	0.0	-72.06	378.46	9.96	-62.10
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012551506	0	51	0.0	-73.83	380.00	9.84	-63.99
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012551506	1	51	0.0	-73.05	378.60	9.79	-63.26
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012551507	0	49	0.0	-77.17	373.88	9.52	-67.65
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012551507	1	49	0.0	-77.47	375.43	9.52	-67.95
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012551508	0	50	0.0	-79.18	385.15	6.21	-72.97
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012551508	1	50	0.0	-77.91	384.19	6.10	-71.81
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551509	0	56	0.0	-51.46	428.90	12.85	-38.61
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551509	1	56	0.0	-52.53	425.66	12.85	-39.68
CCC[C@@H](NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551510	0	51	0.0	-70.59	395.48	8.83	-61.76
CCC[C@@H](NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551510	1	51	0.0	-70.17	394.92	8.66	-61.51
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551511	0	52	0.0	-71.68	410.16	10.16	-61.52
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551511	1	52	0.0	-72.73	410.22	10.16	-62.57
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012551512	0	57	0.0	-73.87	451.27	10.02	-63.85
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012551512	1	57	0.0	-71.80	449.47	9.97	-61.83
C=CCCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551513	0	52	0.0	-70.33	409.29	9.32	-61.01
C=CCCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551513	1	52	0.0	-69.96	407.73	9.22	-60.74
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012551514	0	51	0.0	-67.99	419.35	8.02	-59.97
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012551514	1	51	0.0	-75.55	419.27	8.02	-67.53
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012551515	0	52	0.0	-87.24	403.04	7.33	-79.91
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012551515	1	52	0.0	-87.65	403.57	7.33	-80.32
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012551516	0	53	0.0	-72.01	401.25	9.20	-62.81
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012551516	1	53	0.0	-70.92	400.14	9.05	-61.87
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012551517	0	52	0.0	-75.72	390.21	10.45	-65.27
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012551517	1	52	0.0	-76.95	390.10	10.32	-66.63
CC(C)[C@H](NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551518	0	51	0.0	-72.34	386.92	8.32	-64.02
CC(C)[C@H](NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551518	1	51	0.0	-71.17	390.91	8.47	-62.70
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551519	0	52	0.0	-71.94	410.48	10.12	-61.82
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012551519	1	52	0.0	-71.16	409.44	9.99	-61.17
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012551520	0	55	0.0	-73.06	419.93	9.45	-63.61
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012551520	1	55	0.0	-70.27	423.40	9.30	-60.97
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1	REAL300012551521	0	48	0.0	-67.33	364.86	9.03	-58.30
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1	REAL300012551521	1	48	0.0	-67.85	363.82	8.88	-58.97
CCC[C@H](NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551522	0	51	0.0	-71.66	395.87	8.77	-62.89
CCC[C@H](NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551522	1	51	0.0	-70.72	395.41	8.65	-62.07
CCN(C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012551523	0	51	0.0	-67.40	382.10	9.88	-57.52
CCN(C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012551523	1	51	0.0	-69.15	381.48	9.75	-59.40
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012551524	0	55	0.0	-57.25	408.14	11.27	-45.98
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012551524	1	55	0.0	-56.83	408.53	11.40	-45.43
CC(CN(C)C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551525	0	51	0.0	-73.58	384.60	9.48	-64.10
CC(CN(C)C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551525	1	51	0.0	-75.39	384.11	9.58	-65.81
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551526	0	54	0.0	-71.43	403.81	8.95	-62.48
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551526	1	54	0.0	-71.73	405.53	8.97	-62.76
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551527	0	51	0.0	-69.41	384.80	9.99	-59.42
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551527	1	51	0.0	-67.95	384.39	9.92	-58.03
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012551528	0	53	0.0	-80.06	405.73	5.89	-74.17
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012551528	1	53	0.0	-80.14	406.05	5.75	-74.39
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300012551529	0	61	0.0	-74.11	458.22	9.27	-64.84
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300012551529	1	61	0.0	-72.86	458.28	9.27	-63.59
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)C1	REAL300012551530	0	55	0.0	-75.14	410.38	9.71	-65.43
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)C1	REAL300012551530	1	55	0.0	-74.13	409.38	9.76	-64.37
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012551531	0	58	0.0	-73.88	419.88	10.48	-63.40
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012551531	1	58	0.0	-74.13	417.34	10.22	-63.91
COCCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551532	0	52	0.0	-70.87	408.66	7.06	-63.81
COCCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551532	1	52	0.0	-70.15	406.85	7.01	-63.14
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551533	0	58	0.0	-70.59	443.69	12.95	-57.64
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551533	1	58	0.0	-70.96	440.94	12.93	-58.03
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012551534	0	55	0.0	-75.01	412.03	10.44	-64.57
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012551534	1	55	0.0	-76.86	411.35	10.43	-66.43
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012551535	0	52	0.0	-73.11	398.00	9.36	-63.75
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012551535	1	52	0.0	-73.66	395.35	9.23	-64.43
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300012551536	0	61	0.0	-72.21	458.58	9.28	-62.93
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300012551536	1	61	0.0	-73.56	458.07	9.29	-64.27
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012551537	0	50	0.0	-84.18	383.92	6.45	-77.73
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012551537	1	50	0.0	-82.33	384.15	6.28	-76.05
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012551538	0	53	0.0	-73.10	401.87	6.99	-66.11
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012551538	1	53	0.0	-68.57	405.64	6.99	-61.58
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012551539	0	53	0.0	-80.93	395.39	11.05	-69.88
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012551539	1	53	0.0	-80.21	395.50	11.07	-69.14
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012551540	0	51	0.0	-78.02	387.42	8.74	-69.28
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012551540	1	51	0.0	-76.73	386.23	8.70	-68.03
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC(C)CCC2C(=O)[O-])C1	REAL300012551541	0	55	0.0	-78.11	404.78	11.49	-66.62
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC(C)CCC2C(=O)[O-])C1	REAL300012551541	1	55	0.0	-77.71	399.15	11.63	-66.08
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551542	0	58	0.0	-71.69	449.52	11.42	-60.27
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551542	1	58	0.0	-73.46	449.44	11.43	-62.03
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012551543	0	59	0.0	-70.46	446.78	11.19	-59.27
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012551543	1	59	0.0	-69.95	445.83	11.09	-58.86
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012551544	0	52	0.0	-71.50	395.20	8.89	-62.61
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012551544	1	52	0.0	-70.99	393.62	8.78	-62.21
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012551545	0	58	0.0	-72.52	428.73	10.21	-62.31
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012551545	1	58	0.0	-72.18	427.14	10.16	-62.02
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012551546	0	52	0.0	-71.50	395.20	8.89	-62.61
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012551546	1	52	0.0	-70.99	393.62	8.78	-62.21
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC(C)C2C(=O)[O-])C1	REAL300012551547	0	52	0.0	-79.00	394.37	10.19	-68.81
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC(C)C2C(=O)[O-])C1	REAL300012551547	1	52	0.0	-80.34	395.94	10.10	-70.24
C=CCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551548	0	49	0.0	-70.13	387.46	8.46	-61.67
C=CCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551548	1	49	0.0	-69.33	386.77	8.47	-60.86
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012551549	0	59	0.0	-75.55	448.36	9.18	-66.37
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012551549	1	59	0.0	-70.59	445.72	9.62	-60.97
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012551550	0	59	0.0	-50.41	420.25	11.75	-38.66
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012551550	1	59	0.0	-53.80	434.44	12.01	-41.79
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012551551	0	59	0.0	-74.14	424.33	9.06	-65.08
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012551551	1	59	0.0	-74.06	423.89	8.89	-65.17
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012551552	0	53	0.0	-50.77	396.46	10.92	-39.85
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012551552	1	53	0.0	-51.71	396.41	10.88	-40.83
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012551553	0	59	0.0	-70.46	446.78	11.19	-59.27
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012551553	1	59	0.0	-69.95	445.83	11.09	-58.86
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012551554	0	55	0.0	-74.24	438.93	11.09	-63.15
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012551554	1	55	0.0	-69.39	438.89	11.16	-58.23
COC1CC(NC(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012551555	0	53	0.0	-71.75	406.81	7.59	-64.16
COC1CC(NC(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012551555	1	53	0.0	-71.25	407.24	7.44	-63.81
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012551556	0	49	0.0	-72.98	384.01	8.76	-64.22
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012551556	1	49	0.0	-72.25	383.24	8.60	-63.65
CO[C@H]1C[C@](NC(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012551557	0	53	0.0	-73.31	407.67	7.99	-65.32
CO[C@H]1C[C@](NC(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012551557	1	53	0.0	-73.28	407.72	7.99	-65.29
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012551558	0	52	0.0	-72.97	417.30	9.79	-63.18
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012551558	1	52	0.0	-66.40	416.72	9.26	-57.14
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551559	0	55	0.0	-78.84	403.39	11.69	-67.15
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551559	1	55	0.0	-79.94	405.96	11.60	-68.34
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012551560	0	48	0.0	-65.81	390.91	8.69	-57.12
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012551560	1	48	0.0	-64.34	389.10	8.65	-55.69
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012551561	0	56	0.0	-68.40	424.27	8.72	-59.68
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012551561	1	56	0.0	-68.43	423.30	8.56	-59.87
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012551562	0	47	0.0	-69.79	365.02	5.63	-64.16
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012551562	1	47	0.0	-69.54	366.32	5.62	-63.92
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012551563	0	52	0.0	-72.95	424.66	10.06	-62.89
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012551563	1	52	0.0	-68.67	423.83	9.96	-58.71
CC(C)C(C)(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551564	0	54	0.0	-69.95	393.45	9.03	-60.92
CC(C)C(C)(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551564	1	54	0.0	-69.39	392.55	8.88	-60.51
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012551565	0	50	0.0	-81.12	380.43	11.10	-70.02
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012551565	1	50	0.0	-81.49	380.40	11.11	-70.38
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012551566	0	53	0.0	-78.82	396.66	10.50	-68.32
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012551566	1	53	0.0	-77.21	395.62	10.57	-66.64
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551567	0	58	0.0	-47.70	442.44	13.74	-33.96
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551567	1	58	0.0	-50.28	439.80	13.74	-36.54
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012551568	0	61	0.0	-71.41	454.70	11.21	-60.20
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012551568	1	61	0.0	-71.67	453.82	11.10	-60.57
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551569	0	58	0.0	-73.19	455.63	11.80	-61.39
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551569	1	58	0.0	-71.23	453.99	11.69	-59.54
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551570	0	58	0.0	-71.83	455.78	11.79	-60.04
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551570	1	58	0.0	-72.76	455.07	11.74	-61.02
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012551571	0	59	0.0	-72.60	436.19	10.90	-61.70
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012551571	1	59	0.0	-72.91	435.05	10.79	-62.12
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012551572	0	61	0.0	-71.90	454.60	11.21	-60.69
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012551572	1	61	0.0	-70.80	453.80	11.08	-59.72
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012551573	0	61	0.0	-72.38	454.70	11.20	-61.18
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012551573	1	61	0.0	-70.43	453.41	11.10	-59.33
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012551574	0	59	0.0	-48.71	435.76	11.86	-36.85
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012551574	1	59	0.0	-51.50	437.32	11.86	-39.64
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012551575	0	59	0.0	-78.91	430.89	11.69	-67.22
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012551575	1	59	0.0	-79.50	432.53	11.65	-67.85
C=CCSCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551576	0	53	0.0	-67.90	432.96	9.79	-58.11
C=CCSCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551576	1	53	0.0	-69.58	432.26	9.81	-59.77
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551577	0	54	0.0	-68.13	398.75	10.75	-57.38
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300012551577	1	54	0.0	-68.60	398.64	10.75	-57.85
COC1(C(NC(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300012551578	0	56	0.0	-75.37	422.53	7.93	-67.44
COC1(C(NC(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300012551578	1	56	0.0	-67.60	421.28	7.70	-59.90
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012551579	0	52	0.0	-78.88	406.93	9.57	-69.31
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012551579	1	52	0.0	-70.57	405.60	9.30	-61.27
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012551581	0	49	0.0	-75.43	380.33	9.60	-65.83
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012551581	1	49	0.0	-75.23	380.26	9.61	-65.62
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012551582	0	51	0.0	-49.22	388.60	10.75	-38.47
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012551582	1	51	0.0	-49.16	388.64	10.75	-38.41
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012551583	0	55	0.0	-78.54	405.57	10.89	-67.65
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012551583	1	55	0.0	-78.43	409.75	10.32	-68.11
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012551584	0	59	0.0	-79.01	428.07	12.54	-66.47
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012551584	1	59	0.0	-77.30	427.04	12.41	-64.89
CC(C)CCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551585	0	57	0.0	-71.72	435.55	10.06	-61.66
CC(C)CCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551585	1	57	0.0	-69.84	433.74	10.01	-59.83
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012551586	0	56	0.0	-50.62	420.08	11.41	-39.21
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012551586	1	56	0.0	-52.63	419.07	11.29	-41.34
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012551587	0	56	0.0	-68.40	424.27	8.72	-59.68
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012551587	1	56	0.0	-68.43	423.30	8.56	-59.87
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C1	REAL300012551588	0	53	0.0	-75.96	416.23	11.08	-64.88
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C1	REAL300012551588	1	53	0.0	-75.83	416.16	11.09	-64.74
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012551589	0	56	0.0	-76.71	410.31	10.84	-65.87
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012551589	1	56	0.0	-74.68	408.83	10.74	-63.94
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012551590	0	53	0.0	-74.73	398.00	9.70	-65.03
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012551590	1	53	0.0	-75.40	396.27	9.82	-65.58
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012551591	0	56	0.0	-74.42	418.03	10.35	-64.07
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012551591	1	56	0.0	-74.29	423.08	10.45	-63.84
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551592	0	58	0.0	-71.14	441.73	13.04	-58.10
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012551592	1	58	0.0	-71.94	440.86	12.82	-59.12
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012551593	0	62	0.0	-49.36	451.27	12.32	-37.04
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012551593	1	62	0.0	-49.40	449.97	12.16	-37.24
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012551594	0	55	0.0	-70.82	411.23	9.58	-61.24
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012551594	1	55	0.0	-71.56	410.38	9.44	-62.12
CO[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551595	0	52	0.0	-72.04	404.06	7.30	-64.74
CO[C@H](C)[C@H](NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551595	1	52	0.0	-71.88	404.29	7.25	-64.63
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C1	REAL300012551596	0	52	0.0	-72.33	388.60	9.25	-63.08
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C1	REAL300012551596	1	52	0.0	-74.99	393.47	9.41	-65.58
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012551597	0	55	0.0	-56.37	431.91	12.81	-43.56
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012551597	1	55	0.0	-57.71	430.41	12.70	-45.01
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012551598	0	55	0.0	-51.73	415.27	10.66	-41.07
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012551598	1	55	0.0	-52.59	412.03	10.58	-42.01
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012551599	0	52	0.0	-79.64	395.60	11.27	-68.37
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012551599	1	52	0.0	-77.47	395.23	10.88	-66.59
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012551600	0	49	0.0	-78.18	384.39	9.85	-68.33
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012551600	1	49	0.0	-77.99	387.18	9.61	-68.38
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012551601	0	55	0.0	-74.24	438.93	11.09	-63.15
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012551601	1	55	0.0	-69.39	438.89	11.16	-58.23
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012551602	0	52	0.0	-71.67	423.64	9.95	-61.72
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012551602	1	52	0.0	-69.96	422.50	9.88	-60.08
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012551603	0	52	0.0	-70.86	402.30	10.59	-60.27
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012551603	1	52	0.0	-74.93	401.76	10.57	-64.36
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012551604	0	52	0.0	-71.67	423.64	9.95	-61.72
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012551604	1	52	0.0	-69.96	422.50	9.88	-60.08
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012551605	0	56	0.0	-78.61	411.99	11.24	-67.37
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012551605	1	56	0.0	-77.82	411.63	10.94	-66.88
COCCCC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551606	0	55	0.0	-70.07	429.32	7.85	-62.22
COCCCC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300012551606	1	55	0.0	-69.43	428.62	7.86	-61.57
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300012551607	0	54	0.0	-68.35	406.65	10.74	-57.61
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CCCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552593	0	57	0.0	-77.51	437.12	10.28	-67.23
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552594	0	55	0.0	-85.80	410.25	11.12	-74.68
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COCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552596	0	52	0.0	-79.34	406.22	6.91	-72.43
CCCCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552597	0	60	0.0	-77.50	458.62	11.06	-66.44
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CN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1(C(=O)[O-])CCCC1	REAL300012552599	0	58	0.0	-86.17	419.81	11.50	-74.67
CC(C(=O)[O-])N(C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012552600	0	55	0.0	-66.23	410.73	11.07	-55.16
CCC(C(=O)[O-])N(C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012552601	0	58	0.0	-61.83	432.21	12.36	-49.47
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1F	REAL300012552602	0	55	0.0	-86.18	434.68	10.90	-75.28
CC1=CC=C(C(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])C=C1	REAL300012552603	0	58	0.0	-81.22	451.90	11.42	-69.80
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552604	0	51	0.0	-72.63	410.30	9.37	-63.26
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCSCC1	REAL300012552605	0	56	0.0	-80.42	421.64	10.58	-69.84
COCC(C)(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552606	0	55	0.0	-82.94	416.75	8.33	-74.61
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552607	0	58	0.0	-75.15	437.36	10.08	-65.07
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552608	0	57	0.0	-63.65	428.20	11.55	-52.10
O=C([O-])CN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012552609	0	52	0.0	-65.96	395.60	11.02	-54.94
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCOC1	REAL300012552610	0	53	0.0	-79.30	399.88	7.19	-72.11
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCCC1	REAL300012552611	0	61	0.0	-79.58	447.43	10.95	-68.63
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCOCC1	REAL300012552612	0	56	0.0	-82.46	415.30	8.38	-74.08
C=CCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552613	0	55	0.0	-77.42	428.43	10.06	-67.36
O=C([O-])C(CF)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552614	0	48	0.0	-65.88	376.15	7.66	-58.22
CC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552615	0	51	0.0	-73.42	384.88	9.64	-63.78
CCC(CC)(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552616	0	57	0.0	-81.64	415.18	9.94	-71.70
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552617	0	57	0.0	-63.45	423.02	11.82	-51.63
CCC(COC)(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552618	0	58	0.0	-84.38	433.19	9.24	-75.14
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552619	0	61	0.0	-75.59	457.63	10.84	-64.75
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552620	0	55	0.0	-79.70	425.97	10.23	-69.47
COCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552621	0	55	0.0	-77.98	428.04	7.74	-70.24
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552622	0	60	0.0	-73.86	443.70	12.16	-61.70
O=C([O-])C(CC(F)F)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552623	0	51	0.0	-77.55	406.71	8.96	-68.59
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552624	0	61	0.0	-88.08	444.97	13.10	-74.98
CCCN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012552625	0	57	0.0	-79.71	426.92	11.94	-67.77
O=C([O-])C(CCF)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552626	0	51	0.0	-76.54	400.96	8.82	-67.72
O=C([O-])CN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCOCC1	REAL300012552627	0	59	0.0	-63.97	437.07	10.39	-53.58
O=C([O-])CN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCCC1	REAL300012552628	0	61	0.0	-63.74	446.04	12.77	-50.97
C[C@H]1CC[C@@](NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])CC1	REAL300012552629	0	61	0.0	-83.70	437.68	11.27	-72.43
CC(CCF)(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552630	0	54	0.0	-77.02	405.09	9.19	-67.83
O=C([O-])C1C2=C(CCN1C(=O)NCC1CC[NH+](CC3=CC=CC=C3)CC1)OC=C2	REAL300012552631	0	56	0.0	-65.82	427.34	11.23	-54.59
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552632	0	52	0.0	-80.38	407.91	10.29	-70.09
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552633	0	51	0.0	-75.38	384.46	9.74	-65.64
O=C([O-])C12CC(C1)CN2C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552634	0	53	0.0	-92.17	400.36	11.22	-80.95
COC1CN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C(C)(C(=O)[O-])C1	REAL300012552635	0	59	0.0	-84.97	443.52	10.11	-74.86
CC(C)(C)[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552636	0	57	0.0	-79.24	423.56	9.79	-69.45
C=C(Cl)CC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552637	0	52	0.0	-74.12	422.83	9.80	-64.32
C=C(C)CC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552638	0	55	0.0	-78.71	425.93	9.98	-68.73
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552639	0	56	0.0	-95.08	414.92	12.04	-83.04
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552640	0	52	0.0	-79.57	406.92	10.43	-69.14
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552641	0	52	0.0	-83.36	399.56	10.69	-72.67
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300012552642	0	53	0.0	-86.35	407.00	10.61	-75.74
CC(C)C[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552643	0	57	0.0	-79.06	432.23	10.03	-69.03
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCOCC1	REAL300012552644	0	59	0.0	-80.97	438.29	8.53	-72.44
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012552645	0	55	0.0	-80.55	429.89	10.77	-69.78
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552646	0	55	0.0	-79.70	425.97	10.23	-69.47
CC(C)CCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552647	0	63	0.0	-77.97	476.43	11.52	-66.45
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552648	0	59	0.0	-83.69	450.32	9.12	-74.57
CSCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552649	0	52	0.0	-75.37	417.82	9.09	-66.28
COC[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552650	0	52	0.0	-80.20	405.72	6.90	-73.30
CC[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552651	0	51	0.0	-79.28	394.35	8.67	-70.61
CCC(C)CC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552652	0	60	0.0	-78.31	451.19	10.69	-67.62
C=CCCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552653	0	58	0.0	-77.68	449.93	10.84	-66.84
O=C([O-])C1CSCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552654	0	53	0.0	-87.45	404.07	11.60	-75.85
CC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012552655	0	58	0.0	-82.19	438.32	11.52	-70.67
O=C([O-])[C@H]1CCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552656	0	52	0.0	-85.71	393.89	10.27	-75.44
CCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552657	0	54	0.0	-77.57	415.62	9.50	-68.07
CC(C)[C@@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552658	0	54	0.0	-78.76	409.50	9.28	-69.48
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552659	0	56	0.0	-92.97	415.15	12.11	-80.86
CCN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012552660	0	57	0.0	-82.39	419.09	11.45	-70.94
CCCN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012552661	0	57	0.0	-79.71	426.92	11.94	-67.77
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552662	0	51	0.0	-73.41	406.91	10.99	-62.42
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552663	0	51	0.0	-73.41	406.91	10.99	-62.42
CN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012552664	0	54	0.0	-82.30	399.51	10.59	-71.71
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552665	0	52	0.0	-85.23	393.20	10.59	-74.64
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552666	0	53	0.0	-88.58	405.16	6.90	-81.68
CCC[C@@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552667	0	54	0.0	-78.97	415.64	9.50	-69.47
O=C([O-])[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012552668	0	55	0.0	-79.46	430.30	10.82	-68.64
C=CCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552669	0	55	0.0	-77.42	428.43	10.06	-67.36
CN1CC(C(=O)[O-])N(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1=O	REAL300012552670	0	56	0.0	-80.95	421.22	9.88	-71.07
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552671	0	55	0.0	-86.14	409.92	11.10	-75.04
CC(C)[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552672	0	54	0.0	-78.59	408.54	9.21	-69.38
O=C([O-])[C@@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012552673	0	55	0.0	-80.55	429.89	10.77	-69.78
CC(CN1C=CC=N1)(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552674	0	58	0.0	-80.96	444.34	10.12	-70.84
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552675	0	51	0.0	-75.38	384.46	9.74	-65.64
CCC[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552676	0	54	0.0	-79.78	415.86	9.44	-70.34
CCN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012552677	0	54	0.0	-73.85	401.56	10.42	-63.43
O=C([O-])CN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCC1	REAL300012552678	0	58	0.0	-63.37	428.63	12.06	-51.31
CC(CN(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552679	0	54	0.0	-79.10	404.71	10.15	-68.95
CC[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552680	0	57	0.0	-80.79	425.61	9.63	-71.16
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552681	0	54	0.0	-75.43	404.77	10.83	-64.60
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CC(CO)C1	REAL300012552682	0	56	0.0	-85.48	427.82	6.66	-78.82
CC1CCC(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012552683	0	58	0.0	-84.07	430.43	10.41	-73.66
CC1(C)CCCC1(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552684	0	61	0.0	-83.18	439.90	11.14	-72.04
COCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552685	0	55	0.0	-77.98	428.04	7.74	-70.24
CC1(C)CC(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012552686	0	58	0.0	-86.27	431.98	11.09	-75.18
CC1(C(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])CC1	REAL300012552687	0	55	0.0	-79.99	423.08	9.80	-70.19
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552688	0	53	0.0	-92.44	403.84	7.06	-85.38
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCOC1	REAL300012552689	0	56	0.0	-76.83	424.46	7.69	-69.14
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552690	0	56	0.0	-90.45	414.97	11.66	-78.79
O=C([O-])C12COC(CN1C(=O)NCC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300012552691	0	54	0.0	-87.55	407.74	9.40	-78.15
CC1CCC(C(=O)[O-])N(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300012552692	0	58	0.0	-90.44	425.34	12.44	-78.00
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552693	0	62	0.0	-77.71	462.34	12.54	-65.17
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O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCCC1	REAL300012552695	0	61	0.0	-79.58	447.43	10.95	-68.63
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCC1	REAL300012552696	0	55	0.0	-79.16	414.50	9.56	-69.60
CC1CCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300012552697	0	55	0.0	-87.54	414.47	10.89	-76.65
C=CCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552698	0	52	0.0	-77.73	407.64	9.13	-68.60
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552699	0	62	0.0	-60.13	440.70	12.40	-47.73
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552700	0	56	0.0	-62.84	415.60	11.55	-51.29
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552701	0	62	0.0	-77.71	462.34	12.54	-65.17
COC1CC(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012552702	0	56	0.0	-87.87	429.01	8.34	-79.53
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CC(F)(F)C1	REAL300012552703	0	52	0.0	-82.43	403.96	9.41	-73.02
CO[C@H]1C[C@](NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012552704	0	56	0.0	-80.57	426.63	8.21	-72.36
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552705	0	58	0.0	-87.79	423.51	12.36	-75.43
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552706	0	51	0.0	-72.63	410.30	9.37	-63.26
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552707	0	59	0.0	-80.59	448.17	8.69	-71.90
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)COC1	REAL300012552708	0	50	0.0	-78.25	386.46	6.41	-71.84
CC(C)C(C)(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552709	0	57	0.0	-79.22	413.42	9.67	-69.55
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552710	0	53	0.0	-90.83	400.42	11.69	-79.14
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552711	0	56	0.0	-88.27	416.41	11.33	-76.94
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CC2CCC1C2	REAL300012552712	0	62	0.0	-80.80	454.83	11.34	-69.46
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552713	0	62	0.0	-56.78	454.99	12.56	-44.22
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552714	0	62	0.0	-89.03	450.88	12.36	-76.67
C=CCSCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552715	0	56	0.0	-75.39	452.10	10.54	-64.85
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552716	0	57	0.0	-74.45	418.57	11.38	-63.07
COC1(C(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])CCC1	REAL300012552717	0	59	0.0	-76.27	441.98	8.34	-67.93
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CC(C(F)F)C1	REAL300012552718	0	55	0.0	-87.01	427.79	10.18	-76.83
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552720	0	52	0.0	-83.36	399.56	10.69	-72.67
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552721	0	54	0.0	-61.52	409.21	11.40	-50.12
CC1(C)CCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300012552722	0	58	0.0	-88.16	429.31	11.23	-76.93
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552723	0	62	0.0	-91.73	450.23	13.56	-78.17
CC(C)CCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552724	0	60	0.0	-77.73	454.69	10.80	-66.93
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552725	0	59	0.0	-62.29	440.97	12.03	-50.26
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552726	0	59	0.0	-80.59	448.17	8.69	-71.90
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300012552727	0	56	0.0	-83.78	436.44	11.77	-72.01
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCCC2CC21	REAL300012552728	0	59	0.0	-86.85	429.72	11.52	-75.33
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCC2CC21	REAL300012552729	0	56	0.0	-86.36	416.86	10.61	-75.75
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CC2(CCC2)C1	REAL300012552730	0	59	0.0	-83.31	437.82	10.96	-72.35
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCC1	REAL300012552731	0	58	0.0	-79.49	430.57	10.20	-69.29
CO[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552732	0	55	0.0	-79.89	423.90	7.91	-71.98
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552733	0	55	0.0	-87.09	417.36	10.42	-76.67
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552734	0	58	0.0	-64.42	451.29	13.49	-50.93
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300012552735	0	58	0.0	-62.06	432.94	11.38	-50.68
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552736	0	55	0.0	-87.15	415.34	11.69	-75.46
O=C([O-])C1N(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCC1(F)F	REAL300012552737	0	52	0.0	-89.21	404.79	10.72	-78.49
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552738	0	55	0.0	-79.36	422.30	11.25	-68.11
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552739	0	59	0.0	-89.21	432.01	11.75	-77.46
COCCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552740	0	58	0.0	-77.66	449.54	8.51	-69.15
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552741	0	57	0.0	-73.97	427.34	11.59	-62.38
CCOCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552742	0	55	0.0	-79.40	427.94	7.93	-71.47
CC(C)(C)CC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552743	0	60	0.0	-80.56	445.22	11.06	-69.50
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCCO1	REAL300012552744	0	59	0.0	-81.76	443.09	8.83	-72.93
C[C@H]1OCCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)[C@@H]1C(=O)[O-]	REAL300012552745	0	56	0.0	-88.76	415.83	10.17	-78.59
N#CCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012552746	0	52	0.0	-78.77	415.22	9.18	-69.59
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552747	0	55	0.0	-65.39	432.96	11.63	-53.76
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012552748	0	51	0.0	-73.41	384.88	9.64	-63.77
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300012552749	0	59	0.0	-83.09	447.49	10.63	-72.46
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552750	1	56	0.0	-64.29	445.99	10.27	-54.02
CC(C)C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552751	1	56	0.0	-79.39	439.25	8.02	-71.37
O=C([O-])C1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552752	1	54	0.0	-84.80	419.04	9.24	-75.56
O=C([O-])CNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552753	1	47	0.0	-69.01	383.95	5.85	-63.16
CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552754	1	53	0.0	-78.96	426.56	7.70	-71.26
CC(C)C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552755	1	56	0.0	-79.39	439.25	8.02	-71.37
CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552756	1	50	0.0	-77.58	402.69	8.53	-69.05
CC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552757	1	50	0.0	-69.56	404.57	6.71	-62.85
CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552758	1	50	0.0	-77.58	402.69	8.53	-69.05
CC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552759	1	56	0.0	-65.24	434.62	9.79	-55.45
O=C([O-])CN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C1CC1	REAL300012552760	1	54	0.0	-65.51	427.76	10.04	-55.47
C=CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552761	1	54	0.0	-63.99	437.30	10.07	-53.92
CC(C)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552762	1	53	0.0	-67.97	417.31	7.08	-60.89
CC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552763	1	56	0.0	-65.24	434.62	9.79	-55.45
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552764	1	56	0.0	-64.29	445.99	10.27	-54.02
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552765	1	53	0.0	-77.81	424.50	9.51	-68.30
CCC(C)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552766	1	56	0.0	-78.39	430.70	8.08	-70.31
C[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552767	1	50	0.0	-69.56	404.57	6.71	-62.85
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552768	1	53	0.0	-77.81	424.50	9.51	-68.30
C[C@@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552769	1	50	0.0	-69.83	405.05	6.65	-63.18
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3Cl)CC2)CC1	REAL300012552770	1	51	0.0	-84.07	404.61	7.53	-76.54
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C1CC1	REAL300012552771	1	54	0.0	-79.54	432.95	8.20	-71.34
O=C([O-])[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552772	1	54	0.0	-84.73	426.08	9.30	-75.43
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552773	1	53	0.0	-74.28	417.59	8.77	-65.51
O=C([O-])[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552774	1	54	0.0	-85.06	425.31	9.62	-75.44
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3Cl)CC2)CCC1	REAL300012552775	1	54	0.0	-83.29	421.51	8.03	-75.26
C=CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552776	1	54	0.0	-78.45	439.88	8.15	-70.30
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C1CC1	REAL300012552777	1	54	0.0	-79.54	432.95	8.20	-71.34
CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552778	1	53	0.0	-75.37	416.66	8.76	-66.61
COCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552779	1	54	0.0	-79.89	437.93	5.93	-73.96
O=C([O-])CN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C1CC1	REAL300012552780	1	54	0.0	-65.51	427.76	10.04	-55.47
O=C([O-])C(CF)NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552781	1	50	0.0	-67.17	408.35	6.69	-60.48
CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552782	1	53	0.0	-75.37	416.66	8.76	-66.61
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552783	1	53	0.0	-75.40	416.52	8.70	-66.70
COC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552784	1	54	0.0	-79.60	431.66	5.57	-74.03
CC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552785	1	53	0.0	-78.71	420.27	7.33	-71.38
O=C([O-])[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552786	1	54	0.0	-84.73	426.08	9.30	-75.43
CCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552787	1	56	0.0	-78.90	448.06	8.46	-70.44
CC(C)[C@@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552788	1	56	0.0	-78.92	432.39	7.66	-71.26
CN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(C)(C)C(=O)[O-]	REAL300012552789	1	56	0.0	-81.02	431.70	9.61	-71.41
O=C([O-])[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552790	1	54	0.0	-85.06	425.31	9.62	-75.44
CCC[C@@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552791	1	56	0.0	-78.17	448.06	8.47	-69.70
CC(C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552792	1	56	0.0	-78.04	437.69	8.01	-70.03
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552793	1	53	0.0	-75.40	416.52	8.70	-66.70
CCC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552794	1	56	0.0	-78.14	447.23	8.48	-69.66
CCN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(C)C(=O)[O-]	REAL300012552795	1	56	0.0	-79.00	437.34	10.22	-68.78
CC(CN(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552796	1	56	0.0	-79.63	437.79	9.20	-70.43
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552797	1	56	0.0	-76.33	436.99	9.69	-66.64
C=CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012552798	1	54	0.0	-78.45	439.88	8.15	-70.30
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3Cl)CC2)COC1	REAL300012552799	1	52	0.0	-76.66	418.51	5.46	-71.20
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300012552800	1	53	0.0	-74.28	417.59	8.77	-65.51
CC(C)C[C@H](NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552801	1	58	0.0	-80.87	440.40	8.30	-72.57
CC(C)C[C@H](NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552801	1	58	0.0	-81.08	447.14	8.33	-72.75
C=CCOCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552802	1	57	0.0	-78.00	449.14	6.73	-71.27
C=CCOCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552802	1	57	0.0	-77.98	455.88	6.76	-71.22
C=CC(C)C(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552803	1	56	0.0	-79.35	439.28	8.13	-71.22
C=CC(C)C(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552803	1	56	0.0	-76.50	433.78	7.81	-68.69
CC1CCN(C(=O)NCC2=CC=CC(C[N@@H+]3CCOC(C)C3)=C2)C(C(=O)[O-])C1	REAL300012552804	1	59	0.0	-88.31	426.21	10.21	-78.10
CC1CCN(C(=O)NCC2=CC=CC(C[N@H+]3CCOC(C)C3)=C2)C(C(=O)[O-])C1	REAL300012552804	1	59	0.0	-89.92	432.98	10.31	-79.61
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552805	1	55	0.0	-69.36	421.95	9.53	-59.83
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552805	1	55	0.0	-69.95	428.65	9.55	-60.40
CC(C(=O)[O-])N(C(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C1CCC1	REAL300012552806	1	59	0.0	-69.43	434.27	9.80	-59.63
CC(C(=O)[O-])N(C(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C1CCC1	REAL300012552806	1	59	0.0	-70.00	441.21	9.94	-60.06
CCCN(C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(CC)C(=O)[O-]	REAL300012552807	1	61	0.0	-72.39	455.80	10.59	-61.80
CCCN(C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(CC)C(=O)[O-]	REAL300012552807	1	61	0.0	-57.86	452.58	11.27	-46.59
CC(C)C(NC(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552808	1	55	0.0	-75.08	417.65	7.55	-67.53
CC(C)C(NC(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552808	1	55	0.0	-80.95	424.38	7.59	-73.36
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCCCC3C(=O)[O-])=C2)CCO1	REAL300012552809	1	56	0.0	-89.93	412.62	10.13	-79.80
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCCCC3C(=O)[O-])=C2)CCO1	REAL300012552809	1	56	0.0	-89.87	419.40	10.16	-79.71
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCSCC3C(=O)[O-])=C2)CCO1	REAL300012552810	1	54	0.0	-85.64	412.06	9.86	-75.78
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCSCC3C(=O)[O-])=C2)CCO1	REAL300012552810	1	54	0.0	-87.94	419.68	10.17	-77.77
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCCCC3)=C2)CCO1	REAL300012552811	1	59	0.0	-80.01	432.04	9.16	-70.85
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCCCC3)=C2)CCO1	REAL300012552811	1	59	0.0	-86.26	438.73	9.19	-77.07
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCCC3C(=O)[O-])=C2)CCO1	REAL300012552812	1	53	0.0	-82.85	402.04	8.55	-74.30
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCCC3C(=O)[O-])=C2)CCO1	REAL300012552812	1	53	0.0	-83.50	408.79	8.58	-74.92
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCCC3)=C2)CCO1	REAL300012552813	1	56	0.0	-80.19	417.53	8.05	-72.14
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCCC3)=C2)CCO1	REAL300012552813	1	56	0.0	-86.14	424.22	8.10	-78.04
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCC(=O)[O-])=C2)CCO1	REAL300012552814	1	46	0.0	-67.37	366.64	5.12	-62.25
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCC(=O)[O-])=C2)CCO1	REAL300012552814	1	46	0.0	-67.90	366.65	5.13	-62.77
CC1C[N@H+](CC2=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=C2)CCO1	REAL300012552815	1	56	0.0	-77.69	438.46	9.10	-68.59
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=C2)CCO1	REAL300012552815	1	56	0.0	-77.76	445.45	9.04	-68.72
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)=C2)CCO1	REAL300012552816	1	56	0.0	-78.04	438.70	9.02	-69.02
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)=C2)CCO1	REAL300012552816	1	56	0.0	-78.37	445.12	9.13	-69.24
CCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552817	1	52	0.0	-80.76	402.52	6.95	-73.81
CCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552817	1	52	0.0	-75.85	408.43	6.99	-68.86
CC(C)C(NC(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552818	1	55	0.0	-75.08	417.65	7.55	-67.53
CC(C)C(NC(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552818	1	55	0.0	-80.95	424.38	7.59	-73.36
CC1C[N@H+](CC2=CC=CC(CNC(=O)N(C)CC(=O)[O-])=C2)CCO1	REAL300012552819	1	49	0.0	-75.19	378.64	7.78	-67.41
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N(C)CC(=O)[O-])=C2)CCO1	REAL300012552819	1	49	0.0	-80.45	385.39	7.82	-72.63
CC(NC(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552820	1	49	0.0	-67.59	381.01	5.89	-61.70
CC(NC(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552820	1	49	0.0	-67.75	387.43	5.96	-61.79
CCC(C)C(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552821	1	58	0.0	-82.33	444.24	8.18	-74.15
CCC(C)C(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552821	1	58	0.0	-82.71	444.24	8.19	-74.52
CC1C[N@H+](CC2=CC=CC(CNC(=O)N(C)CC(=O)[O-])=C2)CCO1	REAL300012552822	1	49	0.0	-75.19	378.64	7.78	-67.41
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N(C)CC(=O)[O-])=C2)CCO1	REAL300012552822	1	49	0.0	-80.45	385.39	7.82	-72.63
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCCCC3C(=O)[O-])=C2)CCO1	REAL300012552823	1	56	0.0	-89.93	412.62	10.13	-79.80
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCCCC3C(=O)[O-])=C2)CCO1	REAL300012552823	1	56	0.0	-89.87	419.40	10.16	-79.71
CCCC(C)(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552824	1	58	0.0	-81.76	428.16	8.08	-73.68
CCCC(C)(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552824	1	58	0.0	-77.33	434.89	8.11	-69.22
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1	REAL300012552825	1	55	0.0	-69.29	412.35	9.17	-60.12
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1	REAL300012552825	1	55	0.0	-78.10	417.53	9.07	-69.03
CC1C[N@H+](CC2=CC=CC(CNC(=O)N(CC(=O)[O-])C3CC3)=C2)CCO1	REAL300012552826	1	53	0.0	-75.85	405.39	9.15	-66.70
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N(CC(=O)[O-])C3CC3)=C2)CCO1	REAL300012552826	1	53	0.0	-78.59	412.48	9.17	-69.42
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552827	1	53	0.0	-69.08	413.26	9.32	-59.76
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552827	1	53	0.0	-61.68	420.00	9.36	-52.32
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552828	1	58	0.0	-68.92	436.36	9.82	-59.10
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552828	1	58	0.0	-61.13	443.10	9.86	-51.27
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(C)(C)C(=O)[O-])=C2)CCO1	REAL300012552829	1	52	0.0	-66.37	400.01	6.35	-60.02
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(C)(C)C(=O)[O-])=C2)CCO1	REAL300012552829	1	52	0.0	-66.84	399.98	6.36	-60.48
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C3CC3)=C2)CCO1	REAL300012552830	1	56	0.0	-82.55	416.11	8.08	-74.47
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C3CC3)=C2)CCO1	REAL300012552830	1	56	0.0	-77.82	422.86	8.10	-69.72
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCCCC3)=C2)CCO1	REAL300012552831	1	59	0.0	-80.01	432.04	9.16	-70.85
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCCCC3)=C2)CCO1	REAL300012552831	1	59	0.0	-86.26	438.73	9.19	-77.07
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1	REAL300012552832	1	55	0.0	-69.29	412.35	9.17	-60.12
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1	REAL300012552832	1	55	0.0	-78.10	417.53	9.07	-69.03
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552833	1	55	0.0	-69.36	421.95	9.53	-59.83
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552833	1	55	0.0	-69.95	428.65	9.55	-60.40
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552834	1	52	0.0	-75.28	400.45	8.77	-66.51
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552834	1	52	0.0	-80.90	407.19	8.80	-72.10
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552835	1	58	0.0	-81.84	433.76	7.90	-73.94
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552835	1	58	0.0	-77.51	440.46	7.94	-69.57
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCCC3)=C2)CCO1	REAL300012552836	1	56	0.0	-80.19	417.53	8.05	-72.14
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCCC3)=C2)CCO1	REAL300012552836	1	56	0.0	-86.14	424.22	8.10	-78.04
CCC(C)(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552837	1	55	0.0	-81.38	406.66	7.32	-74.06
CCC(C)(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552837	1	55	0.0	-77.05	413.40	7.36	-69.69
C[C@H](NC(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552838	1	49	0.0	-68.92	380.69	5.92	-63.00
C[C@H](NC(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552838	1	49	0.0	-68.98	387.27	5.97	-63.01
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552839	1	52	0.0	-75.28	400.45	8.77	-66.51
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552839	1	52	0.0	-80.90	407.19	8.80	-72.10
C[C@@H](NC(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552840	1	49	0.0	-67.12	380.69	5.92	-61.20
C[C@@H](NC(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552840	1	49	0.0	-67.57	387.70	5.91	-61.66
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CC3)=C2)CCO1	REAL300012552841	1	50	0.0	-82.86	386.86	7.14	-75.72
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CC3)=C2)CCO1	REAL300012552841	1	50	0.0	-83.50	393.55	7.17	-76.33
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCOCC3C(=O)[O-])=C2)CCO1	REAL300012552842	1	54	0.0	-85.31	403.28	7.48	-77.83
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCOCC3C(=O)[O-])=C2)CCO1	REAL300012552842	1	54	0.0	-86.23	410.12	7.51	-78.72
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CC3)=C2)CCO1	REAL300012552843	1	53	0.0	-80.40	409.44	7.43	-72.97
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CC3)=C2)CCO1	REAL300012552843	1	53	0.0	-80.54	416.12	7.45	-73.09
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552844	1	56	0.0	-69.73	431.83	7.94	-61.79
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552844	1	56	0.0	-71.30	438.53	8.33	-62.97
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552845	1	53	0.0	-82.86	402.06	8.56	-74.30
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552845	1	53	0.0	-82.55	408.79	8.56	-73.99
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552846	1	56	0.0	-87.97	412.16	9.87	-78.10
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552846	1	56	0.0	-87.88	418.88	9.91	-77.97
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1	REAL300012552847	1	52	0.0	-71.31	393.55	8.02	-63.29
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1	REAL300012552847	1	52	0.0	-71.19	399.78	7.94	-63.25
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC[C@H]3C(=O)[O-])=C2)CCO1	REAL300012552848	1	53	0.0	-88.05	408.03	8.89	-79.16
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC[C@H]3C(=O)[O-])=C2)CCO1	REAL300012552848	1	53	0.0	-82.99	408.03	8.88	-74.11
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCC3)=C2)CCO1	REAL300012552849	1	53	0.0	-81.51	403.65	7.65	-73.86
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCC3)=C2)CCO1	REAL300012552849	1	53	0.0	-86.65	410.36	7.70	-78.95
C=CCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552850	1	53	0.0	-74.94	415.56	7.46	-67.48
C=CCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552850	1	53	0.0	-75.53	421.74	7.44	-68.09
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCCC3(C)C(=O)[O-])=C2)CCO1	REAL300012552851	1	56	0.0	-87.80	418.38	9.39	-78.41
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCCC3(C)C(=O)[O-])=C2)CCO1	REAL300012552851	1	56	0.0	-88.26	425.10	9.45	-78.81
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCCCCC3C(=O)[O-])=C2)CCO1	REAL300012552852	1	59	0.0	-85.20	432.20	10.43	-74.77
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCCCCC3C(=O)[O-])=C2)CCO1	REAL300012552852	1	59	0.0	-86.04	432.15	10.43	-75.61
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CC3)=C2)CCO1	REAL300012552853	1	53	0.0	-80.40	409.44	7.43	-72.97
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CC3)=C2)CCO1	REAL300012552853	1	53	0.0	-80.54	416.12	7.45	-73.09
CC(C(=O)[O-])N(C)C(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1	REAL300012552854	1	52	0.0	-71.39	393.04	7.91	-63.48
CC(C(=O)[O-])N(C)C(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1	REAL300012552854	1	52	0.0	-72.21	399.31	8.05	-64.16
CCCCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552855	1	58	0.0	-75.19	445.28	8.55	-66.64
CCCCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552855	1	58	0.0	-76.36	452.26	8.53	-67.83
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])=C2)CCO1	REAL300012552856	1	56	0.0	-81.79	425.22	9.44	-72.35
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])=C2)CCO1	REAL300012552856	1	56	0.0	-82.73	425.18	9.43	-73.30
CC1C[N@H+](CC2=CC=CC(CNC(=O)N(CC(=O)[O-])C3CCCC3)=C2)CCO1	REAL300012552857	1	59	0.0	-59.70	443.53	10.36	-49.34
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N(CC(=O)[O-])C3CCCC3)=C2)CCO1	REAL300012552857	1	59	0.0	-69.19	443.49	10.36	-58.83
COCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552858	1	53	0.0	-77.21	414.38	5.18	-72.03
COCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552858	1	53	0.0	-77.44	420.63	5.21	-72.23
CCCCCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552859	1	61	0.0	-75.59	467.02	9.28	-66.31
CCCCCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552859	1	61	0.0	-76.31	473.75	9.31	-67.00
CC1C[N@H+](CC2=CC=CC(CNC(=O)N(C)C3(C(=O)[O-])CCCC3)=C2)CCO1	REAL300012552860	1	59	0.0	-82.24	434.85	9.82	-72.42
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N(C)C3(C(=O)[O-])CCCC3)=C2)CCO1	REAL300012552860	1	59	0.0	-83.25	434.81	9.83	-73.42
CC(C(=O)[O-])N(C(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C1CC1	REAL300012552861	1	56	0.0	-61.05	419.75	9.49	-51.56
CC(C(=O)[O-])N(C(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C1CC1	REAL300012552861	1	56	0.0	-64.21	425.56	9.49	-54.72
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C1CC1	REAL300012552862	1	59	0.0	-70.95	439.38	10.44	-60.51
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C1CC1	REAL300012552862	1	59	0.0	-79.28	442.10	10.66	-68.62
COCC(C)(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552863	1	56	0.0	-85.61	424.90	6.60	-79.01
COCC(C)(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552863	1	56	0.0	-81.27	431.64	6.64	-74.63
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552864	1	59	0.0	-77.17	444.66	8.31	-68.86
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552864	1	59	0.0	-78.07	452.22	8.39	-69.68
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552865	1	58	0.0	-68.92	436.36	9.82	-59.10
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552865	1	58	0.0	-61.13	443.10	9.86	-51.27
CC1C[N@H+](CC2=CC=CC(CNC(=O)N(CC(=O)[O-])C3CC3)=C2)CCO1	REAL300012552866	1	53	0.0	-75.85	405.39	9.15	-66.70
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N(CC(=O)[O-])C3CC3)=C2)CCO1	REAL300012552866	1	53	0.0	-78.59	412.48	9.17	-69.42
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCOC3)=C2)CCO1	REAL300012552867	1	54	0.0	-76.53	408.13	5.49	-71.04
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCOC3)=C2)CCO1	REAL300012552867	1	54	0.0	-81.08	414.82	5.52	-75.56
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCOCC3)=C2)CCO1	REAL300012552868	1	57	0.0	-78.95	423.46	6.67	-72.28
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCOCC3)=C2)CCO1	REAL300012552868	1	57	0.0	-85.03	430.15	6.71	-78.32
C=CCCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552869	1	56	0.0	-75.47	436.83	8.28	-67.19
C=CCCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552869	1	56	0.0	-76.14	443.57	8.31	-67.83
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(CF)C(=O)[O-])=C2)CCO1	REAL300012552870	1	49	0.0	-65.46	384.31	5.93	-59.53
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(CF)C(=O)[O-])=C2)CCO1	REAL300012552870	1	49	0.0	-65.90	390.90	6.00	-59.90
CC(C(=O)[O-])N(C)C(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1	REAL300012552871	1	52	0.0	-71.39	393.04	7.91	-63.48
CC(C(=O)[O-])N(C)C(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1	REAL300012552871	1	52	0.0	-72.21	399.31	8.05	-64.16
CCC(CC)(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552872	1	58	0.0	-77.14	430.07	8.24	-68.90
CCC(CC)(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552872	1	58	0.0	-83.42	429.78	8.24	-75.18
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552873	1	58	0.0	-58.57	440.27	10.28	-48.29
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552873	1	58	0.0	-59.84	440.27	10.29	-49.55
CCC(COC)(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552874	1	59	0.0	-87.23	441.58	7.51	-79.72
CCC(COC)(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552874	1	59	0.0	-87.74	448.08	7.55	-80.19
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(CC3CC3)C(=O)[O-])=C2)CCO1	REAL300012552875	1	56	0.0	-81.11	441.39	8.39	-72.72
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(CC3CC3)C(=O)[O-])=C2)CCO1	REAL300012552875	1	56	0.0	-81.15	441.16	8.48	-72.67
COCCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552876	1	56	0.0	-75.13	435.95	6.07	-69.06
COCCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552876	1	56	0.0	-76.26	442.93	6.05	-70.21
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552877	1	61	0.0	-72.87	453.25	10.50	-62.37
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552877	1	61	0.0	-76.82	458.04	10.36	-66.46
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(CC(F)F)C(=O)[O-])=C2)CCO1	REAL300012552878	1	52	0.0	-71.42	413.14	7.47	-63.95
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(CC(F)F)C(=O)[O-])=C2)CCO1	REAL300012552878	1	52	0.0	-71.48	419.05	7.51	-63.97
CCCN(C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(C)C(=O)[O-]	REAL300012552879	1	58	0.0	-78.91	441.22	10.36	-68.55
CCCN(C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(C)C(=O)[O-]	REAL300012552879	1	58	0.0	-65.27	438.91	9.64	-55.63
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(CCF)C(=O)[O-])=C2)CCO1	REAL300012552880	1	52	0.0	-74.00	409.11	7.09	-66.91
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(CCF)C(=O)[O-])=C2)CCO1	REAL300012552880	1	52	0.0	-74.18	415.03	7.13	-67.05
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(C)(CCF)C(=O)[O-])=C2)CCO1	REAL300012552881	1	55	0.0	-78.22	413.25	7.46	-70.76
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(C)(CCF)C(=O)[O-])=C2)CCO1	REAL300012552881	1	55	0.0	-73.83	420.00	7.50	-66.33
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552882	1	53	0.0	-76.79	421.76	8.74	-68.05
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552882	1	53	0.0	-75.85	421.79	8.72	-67.13
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1	REAL300012552883	1	52	0.0	-75.95	392.48	7.95	-68.00
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1	REAL300012552883	1	52	0.0	-76.17	399.31	8.04	-68.13
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CC4CC3(C(=O)[O-])C4)=C2)CCO1	REAL300012552884	1	54	0.0	-91.36	409.14	9.48	-81.88
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CC4CC3(C(=O)[O-])C4)=C2)CCO1	REAL300012552884	1	54	0.0	-88.86	413.43	9.53	-79.33
CC1C[N@H+](CC2=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C2)CCO1	REAL300012552885	1	58	0.0	-82.19	433.32	8.05	-74.14
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C2)CCO1	REAL300012552885	1	58	0.0	-81.28	438.40	8.09	-73.19
C=C(Cl)CC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552886	1	53	0.0	-72.40	430.99	8.07	-64.33
C=C(Cl)CC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552886	1	53	0.0	-76.43	437.70	8.05	-68.38
C=C(C)CC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552887	1	56	0.0	-75.73	433.85	8.32	-67.41
C=C(C)CC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552887	1	56	0.0	-75.85	442.28	8.19	-67.66
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)=C2)CCO1	REAL300012552888	1	57	0.0	-93.24	423.69	10.32	-82.92
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)=C2)CCO1	REAL300012552888	1	57	0.0	-92.72	430.38	10.35	-82.37
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=C2)CCO1	REAL300012552889	1	53	0.0	-79.61	414.28	9.03	-70.58
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=C2)CCO1	REAL300012552889	1	53	0.0	-79.77	421.01	9.05	-70.72
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=C2)CCO1	REAL300012552890	1	53	0.0	-78.75	407.77	8.93	-69.82
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=C2)CCO1	REAL300012552890	1	53	0.0	-84.90	407.82	8.93	-75.97
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[N@@H+]3CCOC(C)C3)=C2)C1	REAL300012552891	1	54	0.0	-83.12	423.55	8.92	-74.20
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[N@H+]3CCOC(C)C3)=C2)C1	REAL300012552891	1	54	0.0	-83.19	422.25	8.94	-74.25
CC(C)C[C@H](NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552892	1	58	0.0	-80.87	440.40	8.30	-72.57
CC(C)C[C@H](NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552892	1	58	0.0	-81.08	447.14	8.33	-72.75
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)=C2)CCO1	REAL300012552893	1	56	0.0	-78.04	438.70	9.02	-69.02
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)=C2)CCO1	REAL300012552893	1	56	0.0	-78.37	445.12	9.13	-69.24
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(CC3CC3)C(=O)[O-])=C2)CCO1	REAL300012552894	1	56	0.0	-81.11	441.39	8.39	-72.72
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(CC3CC3)C(=O)[O-])=C2)CCO1	REAL300012552894	1	56	0.0	-81.15	441.16	8.48	-72.67
CSCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552895	1	53	0.0	-74.15	426.22	7.29	-66.86
CSCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552895	1	53	0.0	-73.91	432.05	7.42	-66.49
COC[C@H](NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552896	1	53	0.0	-82.38	414.38	5.18	-77.20
COC[C@H](NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552896	1	53	0.0	-82.40	420.64	5.20	-77.20
CC[C@H](NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552897	1	52	0.0	-75.56	409.26	6.97	-68.59
CC[C@H](NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552897	1	52	0.0	-76.52	409.22	6.98	-69.54
CCC(C)CC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552898	1	61	0.0	-81.27	458.68	8.96	-72.31
CCC(C)CC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552898	1	61	0.0	-77.10	466.19	8.98	-68.12
C=CCCCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552899	1	59	0.0	-75.75	458.33	9.06	-66.69
C=CCCCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552899	1	59	0.0	-76.04	465.07	9.09	-66.95
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCSCC3C(=O)[O-])=C2)CCO1	REAL300012552900	1	54	0.0	-85.64	412.06	9.86	-75.78
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCSCC3C(=O)[O-])=C2)CCO1	REAL300012552900	1	54	0.0	-87.94	419.68	10.17	-77.77
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552901	1	53	0.0	-82.86	402.06	8.56	-74.30
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552901	1	53	0.0	-82.55	408.79	8.56	-73.99
CCCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552902	1	55	0.0	-75.76	424.02	7.71	-68.05
CCCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552902	1	55	0.0	-75.76	429.93	7.75	-68.01
CC(C)[C@@H](NC(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552903	1	55	0.0	-80.59	424.36	7.58	-73.01
CC(C)[C@@H](NC(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552903	1	55	0.0	-75.94	421.32	7.30	-68.64
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])=C2)CCO1	REAL300012552904	1	57	0.0	-92.51	429.93	10.46	-82.05
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])=C2)CCO1	REAL300012552904	1	57	0.0	-91.95	429.93	10.45	-81.50
CCN(C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(C)(C)C(=O)[O-]	REAL300012552905	1	58	0.0	-79.69	427.25	9.73	-69.96
CCN(C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(C)(C)C(=O)[O-]	REAL300012552905	1	58	0.0	-85.71	433.98	9.77	-75.94
CCCN(C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(C)C(=O)[O-]	REAL300012552906	1	58	0.0	-78.91	441.22	10.36	-68.55
CCCN(C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(C)C(=O)[O-]	REAL300012552906	1	58	0.0	-65.27	438.91	9.64	-55.63
CC1C[N@H+](CC2=CC=CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])=C2)CCO1	REAL300012552907	1	55	0.0	-79.77	407.66	8.86	-70.91
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])=C2)CCO1	REAL300012552907	1	55	0.0	-85.52	414.41	8.89	-76.63
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC[C@H]3C(=O)[O-])=C2)CCO1	REAL300012552908	1	53	0.0	-88.05	408.03	8.89	-79.16
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC[C@H]3C(=O)[O-])=C2)CCO1	REAL300012552908	1	53	0.0	-82.99	408.03	8.88	-74.11
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552909	1	54	0.0	-85.35	421.46	5.08	-80.27
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552909	1	54	0.0	-84.20	414.62	5.03	-79.17
CCC[C@@H](NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552910	1	55	0.0	-75.30	423.78	7.77	-67.53
CCC[C@@H](NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552910	1	55	0.0	-80.99	430.48	7.81	-73.18
CC1C[N@H+](CC2=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=C2)CCO1	REAL300012552911	1	56	0.0	-77.69	438.46	9.10	-68.59
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=C2)CCO1	REAL300012552911	1	56	0.0	-77.76	445.45	9.04	-68.72
C=CCCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552912	1	56	0.0	-75.47	436.83	8.28	-67.19
C=CCCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552912	1	56	0.0	-76.14	443.57	8.31	-67.83
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])=C2)CCO1	REAL300012552913	1	56	0.0	-82.85	425.09	9.44	-73.41
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])=C2)CCO1	REAL300012552913	1	56	0.0	-81.84	425.11	9.44	-72.40
CC(C)[C@H](NC(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552914	1	55	0.0	-81.37	419.56	7.53	-73.84
CC(C)[C@H](NC(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552914	1	55	0.0	-75.15	423.39	7.52	-67.63
CC1C[N@H+](CC2=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)=C2)CCO1	REAL300012552915	1	56	0.0	-82.24	438.65	9.02	-73.22
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)=C2)CCO1	REAL300012552915	1	56	0.0	-81.92	444.75	9.07	-72.85
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1	REAL300012552916	1	52	0.0	-75.95	392.48	7.95	-68.00
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1	REAL300012552916	1	52	0.0	-76.17	399.31	8.04	-68.13
CCC[C@H](NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552917	1	55	0.0	-80.75	424.02	7.71	-73.04
CCC[C@H](NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552917	1	55	0.0	-80.51	429.93	7.75	-72.76
CCN(C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(C)C(=O)[O-]	REAL300012552918	1	55	0.0	-72.32	418.10	8.91	-63.41
CCN(C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(C)C(=O)[O-]	REAL300012552918	1	55	0.0	-73.23	418.22	8.90	-64.33
CC1C[N@H+](CC2=CC=CC(CNC(=O)N(CC(=O)[O-])C3CCCC3)=C2)CCO1	REAL300012552919	1	59	0.0	-59.70	443.53	10.36	-49.34
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N(CC(=O)[O-])C3CCCC3)=C2)CCO1	REAL300012552919	1	59	0.0	-69.19	443.49	10.36	-58.83
CC(CN(C)C(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552920	1	55	0.0	-80.44	414.00	8.68	-71.76
CC(CN(C)C(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552920	1	55	0.0	-81.89	420.74	8.72	-73.17
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552921	1	58	0.0	-81.84	433.76	7.90	-73.94
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552921	1	58	0.0	-77.51	440.46	7.94	-69.57
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552922	1	55	0.0	-76.59	412.90	9.10	-67.49
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552922	1	55	0.0	-77.04	419.64	8.97	-68.07
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)=C2)CCO1	REAL300012552923	1	57	0.0	-82.26	435.65	4.94	-77.32
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)=C2)CCO1	REAL300012552923	1	57	0.0	-87.17	440.98	4.87	-82.30
CC1CCC(NC(=O)NCC2=CC=CC(C[N@@H+]3CCOC(C)C3)=C2)(C(=O)[O-])C1	REAL300012552924	1	59	0.0	-85.43	437.81	8.63	-76.80
CC1CCC(NC(=O)NCC2=CC=CC(C[N@H+]3CCOC(C)C3)=C2)(C(=O)[O-])C1	REAL300012552924	1	59	0.0	-85.97	445.28	8.66	-77.31
COCCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552925	1	56	0.0	-75.13	435.95	6.07	-69.06
COCCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552925	1	56	0.0	-76.26	442.93	6.05	-70.21
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)=C2)CCO1	REAL300012552926	1	59	0.0	-82.21	439.73	9.35	-72.86
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)=C2)CCO1	REAL300012552926	1	59	0.0	-87.38	446.47	9.39	-77.99
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3(C)CC3)=C2)CCO1	REAL300012552927	1	56	0.0	-78.17	426.12	8.30	-69.87
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3(C)CC3)=C2)CCO1	REAL300012552927	1	56	0.0	-82.16	437.94	8.10	-74.06
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552928	1	54	0.0	-94.45	418.68	5.37	-89.08
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552928	1	54	0.0	-94.23	412.04	5.35	-88.88
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CCOC3)=C2)CCO1	REAL300012552929	1	57	0.0	-73.30	442.42	6.20	-67.10
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CCOC3)=C2)CCO1	REAL300012552929	1	57	0.0	-75.10	444.03	6.18	-68.92
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])=C2)CCO1	REAL300012552930	1	57	0.0	-91.82	423.43	9.99	-81.83
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])=C2)CCO1	REAL300012552930	1	57	0.0	-88.27	430.00	10.01	-78.26
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)=C2)CCO1	REAL300012552931	1	55	0.0	-85.54	422.33	7.76	-77.78
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)=C2)CCO1	REAL300012552931	1	55	0.0	-86.07	422.57	7.71	-78.36
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC(C[N@@H+]3CCOC(C)C3)=C2)C1	REAL300012552932	1	59	0.0	-88.32	439.69	10.54	-77.78
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC(C[N@H+]3CCOC(C)C3)=C2)C1	REAL300012552932	1	59	0.0	-88.79	439.73	10.49	-78.30
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CCC3)=C2)CCO1	REAL300012552933	1	56	0.0	-82.05	429.43	8.00	-74.05
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CCC3)=C2)CCO1	REAL300012552933	1	56	0.0	-76.46	433.62	7.97	-68.49
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CCC3)=C2)CCO1	REAL300012552934	1	56	0.0	-82.05	429.43	8.00	-74.05
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CCC3)=C2)CCO1	REAL300012552934	1	56	0.0	-76.46	433.62	7.97	-68.49
CC1CCN(C(=O)NCC2=CC(C[N@@H+]3CCOC(C)C3)=CC=C2)C1C(=O)[O-]	REAL300012552935	1	56	0.0	-87.97	416.18	9.33	-78.64
CC1CCN(C(=O)NCC2=CC(C[N@H+]3CCOC(C)C3)=CC=C2)C1C(=O)[O-]	REAL300012552935	1	56	0.0	-83.16	424.21	9.03	-74.13
C=CCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552936	1	53	0.0	-74.94	415.56	7.46	-67.48
C=CCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552936	1	53	0.0	-75.53	421.74	7.44	-68.09
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])=C2)CCO1	REAL300012552937	1	57	0.0	-59.25	424.01	9.89	-49.36
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])=C2)CCO1	REAL300012552937	1	57	0.0	-58.76	430.79	9.91	-48.85
COC1CC(NC(=O)NCC2=CC=CC(C[N@@H+]3CCOC(C)C3)=C2)(C(=O)[O-])C1	REAL300012552938	1	57	0.0	-77.64	441.97	6.55	-71.09
COC1CC(NC(=O)NCC2=CC=CC(C[N@H+]3CCOC(C)C3)=C2)(C(=O)[O-])C1	REAL300012552938	1	57	0.0	-78.52	441.93	6.56	-71.96
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)=C2)CCO1	REAL300012552939	1	53	0.0	-79.17	412.36	7.68	-71.49
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)=C2)CCO1	REAL300012552939	1	53	0.0	-84.12	419.05	7.71	-76.41
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC(C[N@@H+]3CCOC(C)C3)=C2)(C(=O)[O-])C1	REAL300012552940	1	57	0.0	-77.74	435.11	6.53	-71.21
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC(C[N@H+]3CCOC(C)C3)=C2)(C(=O)[O-])C1	REAL300012552940	1	57	0.0	-82.25	441.88	6.56	-75.69
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552941	1	59	0.0	-85.15	434.62	10.68	-74.47
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552941	1	59	0.0	-90.61	441.33	10.72	-79.89
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])COC3)=C2)CCO1	REAL300012552942	1	51	0.0	-78.64	400.69	4.86	-73.78
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])COC3)=C2)CCO1	REAL300012552942	1	51	0.0	-79.65	400.79	4.76	-74.89
CC(C)C(C)(NC(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552943	1	58	0.0	-77.38	423.40	8.00	-69.38
CC(C)C(C)(NC(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552943	1	58	0.0	-82.81	428.32	7.98	-74.83
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552944	1	54	0.0	-89.52	415.34	10.09	-79.43
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552944	1	54	0.0	-88.61	408.67	10.06	-78.55
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552945	1	57	0.0	-84.31	424.54	9.61	-74.70
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])=C2)CCO1	REAL300012552945	1	57	0.0	-84.07	431.33	9.65	-74.42
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552946	1	58	0.0	-72.33	434.30	9.86	-62.47
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552946	1	58	0.0	-73.80	434.30	9.85	-63.95
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=C2)CCO1	REAL300012552947	1	53	0.0	-78.75	407.77	8.93	-69.82
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=C2)CCO1	REAL300012552947	1	53	0.0	-84.90	407.82	8.93	-75.97
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])=C2)CCO1	REAL300012552948	1	55	0.0	-68.09	416.96	9.67	-58.42
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])=C2)CCO1	REAL300012552948	1	55	0.0	-59.52	423.65	9.71	-49.81
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])=C2)CCO1	REAL300012552949	1	59	0.0	-88.87	433.60	9.81	-79.06
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])=C2)CCO1	REAL300012552949	1	59	0.0	-88.93	440.39	9.85	-79.08
CC(C)CCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552950	1	61	0.0	-75.77	463.09	9.01	-66.76
CC(C)CCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552950	1	61	0.0	-75.91	468.99	9.05	-66.86
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCC4CC43)=C2)CCO1	REAL300012552951	1	57	0.0	-80.63	426.12	8.68	-71.95
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCC4CC43)=C2)CCO1	REAL300012552951	1	57	0.0	-82.59	431.75	8.94	-73.65
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CCCC3)=C2)CCO1	REAL300012552952	1	59	0.0	-82.49	443.92	8.62	-73.87
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CCCC3)=C2)CCO1	REAL300012552952	1	59	0.0	-82.68	450.62	8.64	-74.04
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552953	1	56	0.0	-82.10	432.04	6.18	-75.92
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552953	1	56	0.0	-77.11	438.72	6.21	-70.90
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552954	1	56	0.0	-85.02	423.41	8.23	-76.79
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300012552954	1	56	0.0	-81.69	423.45	8.23	-73.46
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])=C2)CCO1	REAL300012552955	1	59	0.0	-68.53	441.89	9.59	-58.94
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])=C2)CCO1	REAL300012552955	1	59	0.0	-69.18	448.77	9.63	-59.55
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])=C2)CCO1	REAL300012552956	1	53	0.0	-82.80	412.47	8.84	-73.96
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])=C2)CCO1	REAL300012552956	1	53	0.0	-91.13	420.54	8.71	-82.42
COCCCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552957	1	59	0.0	-75.24	457.45	6.84	-68.40
COCCCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552957	1	59	0.0	-75.68	463.60	6.84	-68.84
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300012552958	1	58	0.0	-77.10	434.45	9.71	-67.39
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300012552958	1	58	0.0	-76.62	441.68	9.79	-66.83
CCOCC(NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552959	1	56	0.0	-77.31	436.10	6.21	-71.10
CCOCC(NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300012552959	1	56	0.0	-77.88	442.49	6.18	-71.70
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])=C2)CCO1	REAL300012552960	1	61	0.0	-81.24	452.49	9.35	-71.89
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])=C2)CCO1	REAL300012552960	1	61	0.0	-76.99	460.11	9.38	-67.61
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])=C2)CCO1	REAL300012552961	1	57	0.0	-85.94	430.03	8.21	-77.73
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])=C2)CCO1	REAL300012552961	1	57	0.0	-85.82	423.30	8.11	-77.71
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC(CCC#N)C(=O)[O-])=C2)CCO1	REAL300012552962	1	53	0.0	-75.88	423.36	7.45	-68.43
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC(CCC#N)C(=O)[O-])=C2)CCO1	REAL300012552962	1	53	0.0	-76.06	429.26	7.50	-68.56
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1	REAL300012552963	1	52	0.0	-71.31	393.55	8.02	-63.29
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1	REAL300012552963	1	52	0.0	-71.19	399.78	7.94	-63.25
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553434	0	60	0.0	-74.50	434.85	9.73	-64.77
C=CCOCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553435	0	59	0.0	-73.84	442.83	8.19	-65.65
C=CC(C)C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553436	0	58	0.0	-72.98	427.75	9.55	-63.43
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCOCC1	REAL300012553437	0	62	0.0	-73.41	446.24	8.44	-64.97
COC1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C(C(=O)[O-])C1	REAL300012553438	0	62	0.0	-82.36	438.73	10.62	-71.74
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCOC1	REAL300012553439	0	62	0.0	-72.05	440.09	8.27	-63.78
CC1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C(C(=O)[O-])C1	REAL300012553440	0	61	0.0	-81.35	420.02	11.71	-69.64
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553441	0	57	0.0	-59.77	415.64	10.97	-48.80
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCC1	REAL300012553442	0	61	0.0	-62.43	428.31	11.29	-51.14
CCCN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(COC)C(=O)[O-]	REAL300012553443	0	64	0.0	-74.77	458.35	11.85	-62.92
CCCN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(CC)C(=O)[O-]	REAL300012553444	0	63	0.0	-52.48	439.68	12.58	-39.90
CC(C)C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553445	0	57	0.0	-72.71	408.91	8.70	-64.01
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553446	0	58	0.0	-82.19	406.56	11.52	-70.67
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553447	0	56	0.0	-79.68	406.17	11.40	-68.28
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCCC1	REAL300012553448	0	61	0.0	-76.34	425.70	10.59	-65.75
O=C([O-])C1CCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553449	0	55	0.0	-80.27	395.84	9.90	-70.37
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCC1	REAL300012553450	0	58	0.0	-76.46	411.22	9.50	-66.96
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCCCC1	REAL300012553451	0	64	0.0	-77.14	431.24	11.26	-65.88
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553452	0	61	0.0	-75.52	454.49	11.39	-64.13
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553453	0	61	0.0	-59.87	453.14	13.22	-46.65
O=C([O-])[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1=CC=CC=C1	REAL300012553454	0	58	0.0	-74.75	432.14	10.53	-64.22
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1=CC=CC=C1	REAL300012553455	0	58	0.0	-74.54	432.15	10.55	-63.99
CCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553456	0	54	0.0	-71.62	395.38	8.41	-63.21
CC(C)C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553457	0	57	0.0	-72.71	408.91	8.70	-64.01
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553458	0	51	0.0	-73.49	372.18	9.22	-64.27
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553459	0	61	0.0	-75.52	454.49	11.39	-64.13
CC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553460	0	51	0.0	-64.86	374.22	7.40	-57.46
CCC(C)C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553461	0	60	0.0	-71.81	425.80	9.34	-62.47
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553462	0	51	0.0	-73.49	372.18	9.22	-64.27
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553463	0	58	0.0	-82.19	406.56	11.52	-70.67
CCCC(C)(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553464	0	60	0.0	-72.73	421.85	9.52	-63.21
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553465	0	57	0.0	-59.24	405.76	10.62	-48.62
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CC1	REAL300012553466	0	55	0.0	-76.57	395.21	10.48	-66.09
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553467	0	55	0.0	-59.60	406.95	10.77	-48.83
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553468	0	60	0.0	-59.69	430.30	11.49	-48.20
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553469	0	62	0.0	-82.76	444.51	13.55	-69.21
CC(C)(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553470	0	54	0.0	-63.92	386.96	7.77	-56.15
CC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)(C(=O)[O-])C1CC1	REAL300012553471	0	58	0.0	-74.17	409.76	9.51	-64.66
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1=CC=CS1	REAL300012553472	0	55	0.0	-73.26	424.01	9.56	-63.70
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCCC1	REAL300012553473	0	61	0.0	-76.34	425.70	10.59	-65.75
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553474	0	57	0.0	-59.24	405.76	10.62	-48.62
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553475	0	57	0.0	-59.77	415.64	10.97	-48.80
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553476	0	54	0.0	-73.43	394.15	10.21	-63.22
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553477	0	60	0.0	-75.14	427.42	9.34	-65.80
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCC1	REAL300012553478	0	58	0.0	-76.46	411.22	9.50	-66.96
CCC(C)(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553479	0	57	0.0	-72.51	400.35	8.76	-63.75
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC2=CC=CC=C2C1	REAL300012553480	0	62	0.0	-75.58	450.29	11.63	-63.95
CC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012553481	0	61	0.0	-72.99	440.50	11.21	-61.78
C[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553482	0	51	0.0	-65.99	374.35	7.36	-58.63
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553483	0	54	0.0	-73.43	394.15	10.21	-63.22
CCCCCCC(C)(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553484	0	69	0.0	-72.92	486.35	11.85	-61.07
C[C@@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553485	0	51	0.0	-65.65	374.37	7.36	-58.29
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1	REAL300012553486	0	52	0.0	-77.99	380.51	8.56	-69.43
O=C([O-])C1COCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553487	0	56	0.0	-78.59	397.15	8.84	-69.75
CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1(C(=O)[O-])CCCCC1	REAL300012553488	0	64	0.0	-78.91	434.96	11.90	-67.01
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CC1	REAL300012553489	0	55	0.0	-73.47	403.12	8.87	-64.60
CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012553490	0	61	0.0	-77.53	443.00	12.03	-65.50
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553491	0	58	0.0	-60.76	425.52	9.39	-51.37
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCC2=CC=CC=C21	REAL300012553492	0	62	0.0	-76.36	447.07	11.52	-64.84
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553493	0	55	0.0	-80.47	397.20	9.91	-70.56
O=C([O-])[C@H]1CCCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553494	0	58	0.0	-81.26	405.88	11.30	-69.96
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553495	0	54	0.0	-70.20	387.23	9.45	-60.75
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553496	0	55	0.0	-80.45	395.71	9.90	-70.55
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCC1	REAL300012553497	0	55	0.0	-77.26	397.34	9.09	-68.17
C=CCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553498	0	55	0.0	-73.12	409.25	8.91	-64.21
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CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1(C(=O)[O-])CCCC1	REAL300012553510	0	61	0.0	-80.01	421.56	11.19	-68.82
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CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CC1	REAL300012553512	0	61	0.0	-65.23	432.90	11.98	-53.25
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CC1=CC=C(C(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C(=O)[O-])C=C1	REAL300012553516	0	61	0.0	-75.74	453.60	11.12	-64.62
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CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553520	0	61	0.0	-72.82	437.90	9.75	-63.07
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553521	0	60	0.0	-59.69	430.30	11.49	-48.20
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CC1	REAL300012553522	0	55	0.0	-76.57	395.21	10.48	-66.09
O=C([O-])CN(CCC(F)(F)F)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553523	0	57	0.0	-59.66	433.78	11.35	-48.31
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O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1	REAL300012553525	0	64	0.0	-75.04	449.12	10.66	-64.38
CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012553526	0	65	0.0	-71.86	465.56	11.16	-60.70
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCOCC1	REAL300012553527	0	59	0.0	-75.84	417.16	8.11	-67.73
C=CCCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553528	0	58	0.0	-72.01	430.53	9.73	-62.28
O=C([O-])C(CF)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553529	0	51	0.0	-62.68	378.00	7.38	-55.30
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553530	0	54	0.0	-71.32	386.01	9.39	-61.93
CCC(CC)(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553531	0	60	0.0	-71.90	417.03	9.65	-62.25
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553532	0	60	0.0	-58.99	424.87	11.54	-47.45
CCC(COC)(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553533	0	61	0.0	-78.27	435.04	8.96	-69.31
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553534	0	64	0.0	-72.92	458.19	10.50	-62.42
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553535	0	58	0.0	-74.26	427.66	9.93	-64.33
COCCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553536	0	58	0.0	-71.92	429.05	7.47	-64.45
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553537	0	63	0.0	-72.76	445.35	11.98	-60.78
O=C([O-])C(CC(F)F)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553538	0	54	0.0	-72.79	408.32	8.74	-64.05
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553539	0	64	0.0	-79.59	447.17	12.50	-67.09
CCCN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(C)C(=O)[O-]	REAL300012553540	0	60	0.0	-52.11	426.55	11.79	-40.32
O=C([O-])C(CCF)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553541	0	54	0.0	-71.27	402.81	8.54	-62.73
COC1(CC(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C(=O)[O-])CCC1	REAL300012553542	0	65	0.0	-73.46	466.53	9.49	-63.97
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCOCC1	REAL300012553543	0	62	0.0	-61.26	438.76	10.09	-51.17
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1	REAL300012553544	0	64	0.0	-61.28	447.87	12.47	-48.81
C[C@H]1CC[C@@](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)(C(=O)[O-])CC1	REAL300012553545	0	64	0.0	-77.48	439.38	10.97	-66.51
CC(CCF)(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553546	0	57	0.0	-69.71	406.94	8.90	-60.81
O=C([O-])C1C2=C(CCN1C(=O)NC1CC[NH+](CC3CCCCC3)CC1)OC=C2	REAL300012553547	0	59	0.0	-64.87	430.07	11.07	-53.80
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553548	0	55	0.0	-72.99	410.15	10.07	-62.92
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553549	0	54	0.0	-69.46	386.31	9.46	-60.00
CC1(C)CCCC(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)(C(=O)[O-])C1	REAL300012553550	0	67	0.0	-77.48	453.38	11.50	-65.98
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553551	0	56	0.0	-85.13	403.36	10.87	-74.26
COC1CN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C(C)(C(=O)[O-])C1	REAL300012553552	0	62	0.0	-79.11	443.82	9.85	-69.26
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553553	0	65	0.0	-72.75	463.10	9.96	-62.79
CC(C)(C)[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553554	0	60	0.0	-74.00	425.35	9.51	-64.49
C=C(Cl)CC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553555	0	55	0.0	-72.82	425.48	9.45	-63.37
C=C(C)CC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553556	0	58	0.0	-72.36	430.07	9.59	-62.77
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553557	0	59	0.0	-86.59	416.58	11.75	-74.84
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553558	0	55	0.0	-74.73	410.14	10.04	-64.69
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553559	0	55	0.0	-75.91	402.34	9.99	-65.92
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1	REAL300012553560	0	56	0.0	-80.02	409.13	10.40	-69.62
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553561	0	65	0.0	-74.52	463.43	9.87	-64.65
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553562	0	60	0.0	-74.50	434.85	9.73	-64.77
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCOCC1	REAL300012553563	0	62	0.0	-73.41	446.24	8.44	-64.97
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1=CC=CC=C1	REAL300012553564	0	58	0.0	-74.54	432.15	10.55	-63.99
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553565	0	58	0.0	-74.26	427.66	9.93	-64.33
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553566	0	57	0.0	-72.29	440.19	8.58	-63.71
CC(C)CCCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553567	0	66	0.0	-73.68	478.28	11.24	-62.44
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553568	0	62	0.0	-78.27	452.25	8.76	-69.51
CSCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553569	0	55	0.0	-69.91	419.68	8.81	-61.10
COC[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553570	0	55	0.0	-75.28	407.57	6.62	-68.66
CC[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553571	0	54	0.0	-73.56	395.37	8.40	-65.16
CCC(C)CC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553572	0	63	0.0	-72.11	451.98	10.37	-61.74
C=CCCCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553573	0	61	0.0	-73.79	452.02	10.51	-63.28
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553574	0	56	0.0	-79.68	406.17	11.40	-68.28
CC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012553575	0	61	0.0	-72.99	440.50	11.21	-61.78
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553576	0	55	0.0	-80.47	397.20	9.91	-70.56
CCCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553577	0	57	0.0	-72.39	417.71	9.16	-63.23
CC(C)[C@@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553578	0	57	0.0	-73.10	411.33	9.00	-64.10
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553579	0	59	0.0	-84.70	416.40	11.87	-72.83
CCN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(C)(C)C(=O)[O-]	REAL300012553580	0	60	0.0	-75.45	420.61	11.10	-64.35
CCCN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(C)C(=O)[O-]	REAL300012553581	0	60	0.0	-52.11	426.55	11.79	-40.32
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553582	0	54	0.0	-69.00	408.76	10.71	-58.29
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553583	0	54	0.0	-69.00	408.76	10.71	-58.29
CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(C)(C)C(=O)[O-]	REAL300012553584	0	57	0.0	-75.82	401.41	10.30	-65.52
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553585	0	55	0.0	-80.45	395.71	9.90	-70.55
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553586	0	56	0.0	-81.73	406.99	6.60	-75.13
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553587	0	62	0.0	-57.22	448.34	13.37	-43.85
CCC[C@@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553588	0	57	0.0	-73.83	417.70	9.15	-64.68
O=C([O-])[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1=CC=CC=C1	REAL300012553589	0	58	0.0	-74.75	432.14	10.53	-64.22
C=CCCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553590	0	58	0.0	-72.01	430.53	9.73	-62.28
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553591	0	57	0.0	-76.51	440.76	8.46	-68.05
CN1CC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1=O	REAL300012553592	0	59	0.0	-73.98	422.79	9.55	-64.43
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553593	0	58	0.0	-78.73	412.00	10.84	-67.89
CC(C)[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553594	0	57	0.0	-74.57	408.89	8.70	-65.87
O=C([O-])[C@@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1=CC=CC=C1	REAL300012553595	0	58	0.0	-73.12	431.74	10.50	-62.62
CC(CN1C=CC=N1)(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553596	0	61	0.0	-74.53	446.04	9.83	-64.70
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553597	0	54	0.0	-69.46	386.31	9.46	-60.00
CCC[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553598	0	57	0.0	-73.75	417.44	9.21	-64.54
CCN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(C)C(=O)[O-]	REAL300012553599	0	57	0.0	-70.16	405.49	10.36	-59.80
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCC1	REAL300012553600	0	61	0.0	-60.84	430.47	11.76	-49.08
CC(CN(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553601	0	57	0.0	-78.46	408.34	10.15	-68.31
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553602	0	60	0.0	-75.14	427.42	9.34	-65.80
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553603	0	57	0.0	-72.08	406.62	10.38	-61.70
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC(CO)C1	REAL300012553604	0	59	0.0	-82.66	427.95	6.26	-76.40
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553605	0	67	0.0	-75.96	479.46	9.67	-66.29
CC1CCC(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)(C(=O)[O-])C1	REAL300012553606	0	61	0.0	-76.59	432.26	10.10	-66.49
CC1(C)CCCC1(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553607	0	64	0.0	-76.78	441.59	10.85	-65.93
COCCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553608	0	58	0.0	-71.92	429.05	7.47	-64.45
CC1(C)CC(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)(C(=O)[O-])C1	REAL300012553609	0	61	0.0	-77.91	433.72	10.78	-67.13
CC1(C(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C(=O)[O-])CC1	REAL300012553610	0	58	0.0	-76.27	419.81	9.74	-66.53
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553611	0	67	0.0	-75.97	480.24	9.59	-66.38
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553612	0	56	0.0	-85.33	405.66	6.80	-78.53
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCOC1	REAL300012553613	0	59	0.0	-72.28	423.37	7.39	-64.89
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553614	0	59	0.0	-83.51	416.67	11.42	-72.09
O=C([O-])C12COC(CN1C(=O)NC1CC[NH+](CC3CCCCC3)CC1)C2	REAL300012553615	0	57	0.0	-80.16	409.57	9.11	-71.05
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1	REAL300012553616	0	61	0.0	-81.98	427.37	12.17	-69.81
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553617	0	65	0.0	-73.29	464.16	12.25	-61.04
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCC1	REAL300012553618	0	58	0.0	-73.96	415.86	9.34	-64.62
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1	REAL300012553619	0	64	0.0	-75.04	449.12	10.66	-64.38
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCC1	REAL300012553620	0	58	0.0	-73.96	415.86	9.34	-64.62
CC1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1C(=O)[O-]	REAL300012553621	0	58	0.0	-81.25	413.53	10.38	-70.87
C=CCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553622	0	55	0.0	-73.12	409.25	8.91	-64.21
O=C([O-])C(CC1CCCCO1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553623	0	65	0.0	-73.02	468.18	10.18	-62.84
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553624	0	65	0.0	-54.93	441.81	12.12	-42.81
CC1(C)CC(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)(C(=O)[O-])CCO1	REAL300012553625	0	65	0.0	-76.57	446.23	9.38	-67.19
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553626	0	59	0.0	-58.93	417.68	11.33	-47.60
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COC1CC(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)(C(=O)[O-])C1	REAL300012553628	0	59	0.0	-79.65	430.67	8.04	-71.61
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC(F)(F)C1	REAL300012553629	0	55	0.0	-75.44	405.73	9.11	-66.33
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)(C(=O)[O-])C1	REAL300012553630	0	59	0.0	-75.29	429.31	8.34	-66.95
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553631	0	61	0.0	-79.41	425.70	11.76	-67.65
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553632	0	54	0.0	-66.24	411.31	9.12	-57.12
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553633	0	62	0.0	-75.56	451.04	8.44	-67.12
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)COC1	REAL300012553634	0	53	0.0	-71.64	388.13	6.12	-65.52
O=C([O-])C(CC1=CC=CS1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553635	0	58	0.0	-74.82	445.52	10.48	-64.34
CC(C)C(C)(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553636	0	60	0.0	-73.49	417.09	9.45	-64.04
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553637	0	56	0.0	-82.74	402.05	11.42	-71.32
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553638	0	59	0.0	-80.97	418.17	11.06	-69.91
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553639	0	67	0.0	-74.61	476.37	11.59	-63.02
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CC2CCC1C2	REAL300012553640	0	65	0.0	-75.53	457.98	11.24	-64.29
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553641	0	67	0.0	-73.98	476.32	11.66	-62.32
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553642	0	67	0.0	-74.26	475.70	11.60	-62.66
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553643	0	65	0.0	-56.95	456.71	12.25	-44.70
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553644	0	65	0.0	-81.39	454.68	12.19	-69.20
C=CCSCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553645	0	59	0.0	-69.13	453.28	10.30	-58.83
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553646	0	60	0.0	-70.91	420.68	11.17	-59.74
COC1(C(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C(=O)[O-])CCC1	REAL300012553647	0	62	0.0	-71.30	443.80	8.05	-63.25
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC(C(F)F)C1	REAL300012553648	0	58	0.0	-80.05	429.34	9.93	-70.12
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553650	0	55	0.0	-75.91	402.34	9.99	-65.92
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553651	0	57	0.0	-58.55	411.01	11.13	-47.42
CC1(C)CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1C(=O)[O-]	REAL300012553652	0	61	0.0	-81.07	431.07	10.94	-70.13
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553653	0	65	0.0	-80.70	451.55	12.96	-67.74
CC(C)CCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553654	0	63	0.0	-72.43	456.78	10.46	-61.97
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553655	0	62	0.0	-57.11	441.84	11.78	-45.33
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553656	0	62	0.0	-75.56	451.04	8.44	-67.12
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1	REAL300012553657	0	59	0.0	-75.64	438.20	11.48	-64.16
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCC2CC21	REAL300012553658	0	62	0.0	-79.39	431.40	11.22	-68.17
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCC2CC21	REAL300012553659	0	59	0.0	-76.44	418.71	10.33	-66.11
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC2(CCC2)C1	REAL300012553660	0	62	0.0	-78.34	445.91	10.94	-67.40
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCC1	REAL300012553661	0	61	0.0	-75.15	432.26	9.91	-65.24
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553662	0	58	0.0	-75.56	426.19	7.62	-67.94
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553663	0	58	0.0	-74.76	410.22	9.60	-65.16
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553664	0	61	0.0	-59.87	453.14	13.22	-46.65
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1	REAL300012553665	0	61	0.0	-57.28	434.64	11.08	-46.20
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553666	0	58	0.0	-79.45	417.21	11.43	-68.02
O=C([O-])C1N(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCC1(F)F	REAL300012553667	0	55	0.0	-83.86	408.90	10.02	-73.84
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553668	0	58	0.0	-74.87	445.30	10.30	-64.57
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553669	0	58	0.0	-73.01	424.00	10.95	-62.06
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553670	0	58	0.0	-74.87	445.30	10.30	-64.57
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553671	0	62	0.0	-82.00	433.21	11.67	-70.33
COCCCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553672	0	61	0.0	-73.05	451.39	8.23	-64.82
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553673	0	60	0.0	-71.95	427.94	11.31	-60.64
CCOCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553674	0	58	0.0	-74.25	429.93	7.61	-66.64
CC(C)(C)CC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553675	0	63	0.0	-74.42	447.07	10.79	-63.63
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCCO1	REAL300012553676	0	62	0.0	-74.76	446.97	8.95	-65.81
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC2=CC=CC=C2C1	REAL300012553677	0	62	0.0	-75.58	450.29	11.63	-63.95
C[C@H]1OCCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)[C@@H]1C(=O)[O-]	REAL300012553678	0	59	0.0	-81.20	417.53	9.87	-71.33
N#CCCC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300012553679	0	55	0.0	-73.70	417.07	8.90	-64.80
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553680	0	58	0.0	-62.67	434.65	11.34	-51.33
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300012553681	0	54	0.0	-70.20	387.23	9.45	-60.75
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1	REAL300012553682	0	62	0.0	-79.87	450.09	10.24	-69.63
CCCOC1=NC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012553860	0	59	0.0	-69.09	460.56	5.91	-63.18
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CC1	REAL300012554355	0	53	0.0	-61.70	401.31	7.37	-54.33
COCCOCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012554518	0	54	0.0	-64.18	415.14	3.48	-60.70
O=C([O-])C(NC(=O)NC1CC[N@@H+](C2CC2)C1)C1CCOCC1	REAL300012554971	0	47	0.0	-73.54	353.84	4.89	-68.65
O=C([O-])C(NC(=O)NC1CC[N@H+](C2CC2)C1)C1CCOCC1	REAL300012554971	1	47	0.0	-72.02	355.05	5.00	-67.02
O=C([O-])C(NC(=O)NC1CC[N@@H+](C2CC2)C1)C1=CC=C(F)C(F)=C1	REAL300012554972	0	43	0.0	-66.68	359.70	7.45	-59.23
O=C([O-])C(NC(=O)NC1CC[N@H+](C2CC2)C1)C1=CC=C(F)C(F)=C1	REAL300012554972	1	43	0.0	-65.29	359.39	7.24	-58.05
O=C([O-])C(NC(=O)NC1CC[N@@H+](C2CC2)C1)C1=CC=C(Cl)C(F)=C1	REAL300012554973	0	43	0.0	-66.35	369.59	7.90	-58.45
O=C([O-])C(NC(=O)NC1CC[N@H+](C2CC2)C1)C1=CC=C(Cl)C(F)=C1	REAL300012554973	1	43	0.0	-65.11	369.28	7.69	-57.42
COC1CCN(C(=O)NC2CC[N@@H+](C3CC3)C2)C(C(=O)[O-])C1	REAL300012554974	0	47	0.0	-80.75	350.17	7.38	-73.37
COC1CCN(C(=O)NC2CC[N@H+](C3CC3)C2)C(C(=O)[O-])C1	REAL300012554974	1	47	0.0	-78.08	350.69	7.09	-70.99
O=C([O-])C(NC(=O)NC1CC[N@@H+](C2CC2)C1)C1CCCOC1	REAL300012554975	0	47	0.0	-68.46	356.10	4.99	-63.47
O=C([O-])C(NC(=O)NC1CC[N@H+](C2CC2)C1)C1CCCOC1	REAL300012554975	1	47	0.0	-68.04	354.96	5.04	-63.00
CC1=CC(C(NC(=O)NC2CC[N@@H+](C3CC3)C2)C(=O)[O-])=CC=C1F	REAL300012554976	0	46	0.0	-66.82	373.71	8.03	-58.79
CC1=CC(C(NC(=O)NC2CC[N@H+](C3CC3)C2)C(=O)[O-])=CC=C1F	REAL300012554976	1	46	0.0	-67.56	373.38	7.82	-59.74
O=C([O-])C(NC(=O)NC1CC[N@@H+](C2CC2)C1)C1=CC=C2OCCC2=C1	REAL300012554977	0	48	0.0	-69.42	382.89	7.17	-62.25
O=C([O-])C(NC(=O)NC1CC[N@H+](C2CC2)C1)C1=CC=C2OCCC2=C1	REAL300012554977	1	48	0.0	-70.54	382.53	7.09	-63.45
CC1=CC(C(NC(=O)NC2CC[N@@H+](C3CC3)C2)C(=O)[O-])=CC(C)=C1	REAL300012554978	0	49	0.0	-70.98	390.06	8.58	-62.40
CC1=CC(C(NC(=O)NC2CC[N@H+](C3CC3)C2)C(=O)[O-])=CC(C)=C1	REAL300012554978	1	49	0.0	-71.37	390.34	8.58	-62.79
CC1=CC=C(C(NC(=O)NC2CC[N@@H+](C3CC3)C2)C(=O)[O-])C=C1C	REAL300012554979	0	49	0.0	-71.10	385.63	8.45	-62.65
CC1=CC=C(C(NC(=O)NC2CC[N@H+](C3CC3)C2)C(=O)[O-])C=C1C	REAL300012554979	1	49	0.0	-71.29	385.11	8.33	-62.96
COC1=CC=C(C(NC(=O)NC2CC[N@@H+](C3CC3)C2)C(=O)[O-])C=C1Cl	REAL300012554980	0	47	0.0	-69.70	392.52	7.18	-62.52
COC1=CC=C(C(NC(=O)NC2CC[N@H+](C3CC3)C2)C(=O)[O-])C=C1Cl	REAL300012554980	1	47	0.0	-68.21	392.21	6.98	-61.23
CC1=CC=CC(C(NC(=O)NC2CC[N@@H+](C3CC3)C2)C(=O)[O-])=C1C	REAL300012554981	0	49	0.0	-71.09	376.21	8.19	-62.90
CC1=CC=CC(C(NC(=O)NC2CC[N@H+](C3CC3)C2)C(=O)[O-])=C1C	REAL300012554981	1	49	0.0	-69.79	376.67	8.27	-61.52
COC1=CC=C(C(NC(=O)NC2CC[N@@H+](C3CC3)C2)C(=O)[O-])C=C1F	REAL300012554982	0	47	0.0	-70.83	382.96	6.60	-64.23
COC1=CC=C(C(NC(=O)NC2CC[N@H+](C3CC3)C2)C(=O)[O-])C=C1F	REAL300012554982	1	47	0.0	-68.62	382.41	6.50	-62.12
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1CC[N@@H+](C2CC2)C1	REAL300012554983	0	49	0.0	-52.58	405.03	10.89	-41.69
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1CC[N@H+](C2CC2)C1	REAL300012554983	1	49	0.0	-50.47	407.04	11.00	-39.47
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)NC1CC[N@@H+](C2CC2)C1	REAL300012554984	0	46	0.0	-51.05	383.20	10.32	-40.73
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)NC1CC[N@H+](C2CC2)C1	REAL300012554984	1	46	0.0	-51.56	389.69	10.60	-40.96
CCCN(C(=O)NC1CC[N@@H+](C2CC2)C1)C(COC)C(=O)[O-]	REAL300012554985	0	49	0.0	-68.45	367.68	7.33	-61.12
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CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](C3CC3)C2)C1	REAL300012555149	1	44	0.0	-74.12	352.35	8.23	-65.89
O=C([O-])C1(NC(=O)NC2CC[N@@H+](C3CC3)C2)CCCC2CC21	REAL300012555150	0	47	0.0	-75.23	344.71	7.93	-67.30
O=C([O-])C1(NC(=O)NC2CC[N@H+](C3CC3)C2)CCCC2CC21	REAL300012555150	1	47	0.0	-73.91	345.83	7.90	-66.01
O=C([O-])C1(NC(=O)NC2CC[N@@H+](C3CC3)C2)CC2(CCC2)C1	REAL300012555151	0	47	0.0	-74.05	360.66	7.75	-66.30
O=C([O-])C1(NC(=O)NC2CC[N@H+](C3CC3)C2)CC2(CCC2)C1	REAL300012555151	1	47	0.0	-72.04	354.00	7.39	-64.65
CN(C(=O)NC1CC[N@@H+](C2CC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012555152	0	49	0.0	-68.28	377.91	10.12	-58.16
CN(C(=O)NC1CC[N@H+](C2CC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012555152	1	49	0.0	-69.93	377.46	10.10	-59.83
O=C([O-])C1CC2(CN1C(=O)NC1CC[N@@H+](C3CC3)C1)CCCCC2	REAL300012555153	0	53	0.0	-51.44	386.66	9.43	-42.01
O=C([O-])C1CC2(CN1C(=O)NC1CC[N@H+](C3CC3)C1)CCCCC2	REAL300012555153	1	53	0.0	-49.75	385.52	9.38	-40.37
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](C2CC2)C1	REAL300012555154	0	46	0.0	-54.52	367.94	9.99	-44.53
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O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NC1CC[N@@H+](C2CC2)C1	REAL300012555156	0	47	0.0	-53.87	374.24	9.68	-44.19
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NC1CC[N@H+](C2CC2)C1	REAL300012555156	1	47	0.0	-53.57	372.93	9.77	-43.80
CC(NC(=O)NC1CC[N@@H+](C2CC2)C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012555157	0	49	0.0	-67.69	392.06	8.93	-58.76
CC(NC(=O)NC1CC[N@H+](C2CC2)C1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012555157	1	49	0.0	-67.79	394.08	9.03	-58.76
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[N@@H+](C2CC2)C1	REAL300012555158	0	43	0.0	-76.16	332.55	8.40	-67.76
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O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[N@@H+](C2CC2)C1	REAL300012555161	0	43	0.0	-69.19	360.32	7.12	-62.07
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[N@H+](C2CC2)C1	REAL300012555161	1	43	0.0	-69.43	359.84	6.99	-62.44
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[N@@H+](C2CC2)C1	REAL300012555162	0	43	0.0	-67.81	339.02	7.69	-60.12
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[N@H+](C2CC2)C1	REAL300012555162	1	43	0.0	-69.04	338.34	7.77	-61.27
O=C([O-])C1(NC(=O)NC2CC[N@@H+](C3CC3)C2)CC2(CC(F)(F)C2)C1	REAL300012555163	0	47	0.0	-73.21	374.02	7.94	-65.27
O=C([O-])C1(NC(=O)NC2CC[N@H+](C3CC3)C2)CC2(CC(F)(F)C2)C1	REAL300012555163	1	47	0.0	-73.19	373.68	7.79	-65.40
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O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[N@@H+](C2CC2)C1	REAL300012555166	0	47	0.0	-78.67	348.01	8.19	-70.48
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[N@H+](C2CC2)C1	REAL300012555166	1	47	0.0	-77.90	346.51	8.05	-69.85
O=C([O-])C(NC(=O)NC1CC[N@@H+](C2CC2)C1)C1CCCCO1	REAL300012555167	0	47	0.0	-71.50	362.65	5.77	-65.73
O=C([O-])C(NC(=O)NC1CC[N@H+](C2CC2)C1)C1CCCCO1	REAL300012555167	1	47	0.0	-71.93	360.11	5.34	-66.59
O=C([O-])C(NC(=O)NC1CC[N@@H+](C2CC2)C1)C1=CC=CC(Br)=C1	REAL300012555168	0	43	0.0	-66.65	368.29	7.96	-58.69
O=C([O-])C(NC(=O)NC1CC[N@H+](C2CC2)C1)C1=CC=CC(Br)=C1	REAL300012555168	1	43	0.0	-66.21	367.34	7.78	-58.43
O=C([O-])C1(NC(=O)NC2CC[N@@H+](C3CC3)C2)CC2=CC=CC=C2C1	REAL300012555169	0	47	0.0	-71.75	366.55	8.50	-63.25
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O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[N@@H+](C2CC2)C1	REAL300012555170	0	46	0.0	-69.57	351.75	8.05	-61.52
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[N@H+](C2CC2)C1	REAL300012555170	1	46	0.0	-71.95	351.72	7.93	-64.02
O=C([O-])C(NC(=O)NC1CC[N@@H+](C2CC2)C1)C12CC3CC(CC(C3)C1)C2	REAL300012555171	0	57	0.0	-74.11	402.95	9.17	-64.94
O=C([O-])C(NC(=O)NC1CC[N@H+](C2CC2)C1)C12CC3CC(CC(C3)C1)C2	REAL300012555171	1	57	0.0	-72.60	402.31	9.30	-63.30
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[N@@H+](C2CC2)C1	REAL300012555172	0	49	0.0	-73.31	399.15	8.50	-64.81
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[N@H+](C2CC2)C1	REAL300012555172	1	49	0.0	-73.43	398.60	8.38	-65.05
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[N@@H+](C2CC2)C1	REAL300012555173	0	43	0.0	-55.62	349.66	8.13	-47.49
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[N@H+](C2CC2)C1	REAL300012555173	1	43	0.0	-55.73	349.10	8.00	-47.73
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[N@@H+](C2CC2)C1	REAL300012555174	0	54	0.0	-77.58	382.65	8.63	-68.95
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[N@H+](C2CC2)C1	REAL300012555174	1	54	0.0	-75.88	382.23	8.51	-67.37
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[N@@H+](C2CC2)C1	REAL300012555175	0	45	0.0	-65.56	380.98	6.88	-58.68
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[N@H+](C2CC2)C1	REAL300012555175	1	45	0.0	-71.24	380.71	6.84	-64.40
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](C3CC3)C2)C1	REAL300012555176	0	47	0.0	-75.17	364.93	7.03	-68.14
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](C3CC3)C2)C1	REAL300012555176	1	47	0.0	-74.23	363.80	6.92	-67.31
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555177	0	54	0.0	-74.82	421.84	7.94	-66.88
C=CCOCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555178	0	53	0.0	-75.90	430.59	6.38	-69.52
C=CC(C)C(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555179	0	52	0.0	-61.90	415.51	7.73	-54.17
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012555180	0	56	0.0	-75.56	433.99	6.63	-68.93
COC1CCN(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C(C(=O)[O-])C1	REAL300012555181	0	56	0.0	-76.60	424.45	8.63	-67.97
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012555182	0	56	0.0	-61.51	428.43	6.41	-55.10
CC1CCN(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C(C(=O)[O-])C1	REAL300012555183	0	55	0.0	-75.93	414.39	10.19	-65.74
CC1=CC(C)=CC(C(NC(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C(=O)[O-])=C1	REAL300012555184	0	58	0.0	-75.04	462.69	10.06	-64.98
CC1=CC=C(C(NC(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C(=O)[O-])C=C1C	REAL300012555185	0	58	0.0	-65.63	458.57	9.86	-55.77
CC1=CC=CC(C(NC(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C(=O)[O-])=C1C	REAL300012555186	0	58	0.0	-74.55	450.11	9.68	-64.87
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555187	0	51	0.0	-65.30	403.39	9.17	-56.13
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C1CCC1	REAL300012555188	0	55	0.0	-66.36	415.99	9.56	-56.80
CCCN(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(COC)C(=O)[O-]	REAL300012555189	0	58	0.0	-67.11	445.22	10.10	-57.01
CCCN(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(CC)C(=O)[O-]	REAL300012555190	0	57	0.0	-80.32	436.85	11.08	-69.24
CC(C)C(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555191	0	51	0.0	-74.85	401.00	7.17	-67.68
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012555192	0	52	0.0	-78.53	394.01	9.82	-68.71
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012555193	0	50	0.0	-74.71	393.63	9.51	-65.20
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012555194	0	55	0.0	-65.47	413.48	8.81	-56.66
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCCC1C(=O)[O-]	REAL300012555195	0	49	0.0	-79.80	382.74	8.50	-71.30
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012555196	0	52	0.0	-65.96	398.97	7.70	-58.26
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012555197	0	58	0.0	-66.05	419.14	9.46	-56.59
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012555198	0	55	0.0	-63.81	442.40	9.61	-54.20
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012555199	0	55	0.0	-65.99	440.90	11.41	-54.58
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012555200	0	52	0.0	-64.61	420.16	8.66	-55.95
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012555201	0	52	0.0	-64.56	420.14	8.67	-55.89
CCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555202	0	48	0.0	-62.42	383.97	6.60	-55.82
CC(C)C(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555203	0	51	0.0	-74.85	401.00	7.17	-67.68
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555204	0	45	0.0	-61.89	360.09	7.42	-54.47
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012555205	0	55	0.0	-63.81	442.40	9.61	-54.20
CC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555206	0	45	0.0	-62.44	362.14	5.56	-56.88
CCC(C)C(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555207	0	54	0.0	-62.29	413.91	7.62	-54.67
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555208	0	45	0.0	-61.89	360.09	7.42	-54.47
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012555209	0	52	0.0	-78.53	394.01	9.82	-68.71
CCCC(C)(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555210	0	54	0.0	-74.78	409.61	7.71	-67.07
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555211	0	51	0.0	-60.88	391.59	8.66	-52.22
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012555212	0	49	0.0	-61.54	386.85	8.80	-52.74
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555213	0	49	0.0	-65.12	394.71	8.96	-56.16
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555214	0	54	0.0	-65.66	418.06	9.68	-55.98
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012555215	0	56	0.0	-76.09	431.59	11.68	-64.41
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C)(C)C(=O)[O-]	REAL300012555216	0	48	0.0	-59.14	374.72	5.96	-53.18
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012555217	0	52	0.0	-63.61	397.60	7.72	-55.89
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012555218	0	49	0.0	-72.41	411.13	7.77	-64.64
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012555219	0	55	0.0	-65.47	413.48	8.81	-56.66
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555220	0	51	0.0	-60.88	391.59	8.66	-52.22
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555221	0	51	0.0	-65.30	403.39	9.17	-56.13
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555222	0	48	0.0	-61.67	381.89	8.41	-53.26
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555223	0	54	0.0	-74.33	413.56	7.52	-66.81
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012555224	0	52	0.0	-65.96	398.97	7.70	-58.26
CCC(C)(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555225	0	51	0.0	-74.27	388.10	6.97	-67.30
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012555226	0	56	0.0	-66.08	438.08	9.85	-56.23
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012555227	0	55	0.0	-65.12	427.90	9.46	-55.66
C[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555228	0	45	0.0	-62.34	362.13	5.57	-56.77
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555229	0	48	0.0	-61.67	381.89	8.41	-53.26
CCCCCCC(C)(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555230	0	63	0.0	-74.99	474.09	10.06	-64.93
CN(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012555231	0	58	0.0	-61.56	451.47	11.64	-49.92
C[C@@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555232	0	45	0.0	-58.62	362.46	5.52	-53.10
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC1	REAL300012555233	0	46	0.0	-77.72	368.31	6.79	-70.93
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012555234	0	50	0.0	-73.91	385.21	7.20	-66.71
CN(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300012555235	0	58	0.0	-66.12	422.74	10.11	-56.01
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012555236	0	49	0.0	-63.46	390.34	7.09	-56.37
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012555237	0	58	0.0	-66.01	463.30	12.19	-53.82
CN(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012555238	0	55	0.0	-63.12	427.85	10.35	-52.77
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555239	0	52	0.0	-66.09	413.27	7.60	-58.49
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012555240	0	56	0.0	-69.05	434.84	9.75	-59.30
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012555241	0	49	0.0	-68.53	383.49	8.18	-60.35
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012555242	0	52	0.0	-76.28	393.53	9.48	-66.80
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555243	0	48	0.0	-59.96	374.49	7.55	-52.41
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012555244	0	49	0.0	-79.81	382.71	8.50	-71.31
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC1	REAL300012555245	0	49	0.0	-67.61	385.09	7.30	-60.31
C=CCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555246	0	49	0.0	-73.56	396.44	7.05	-66.51
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012555247	0	52	0.0	-80.83	399.80	9.05	-71.78
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012555248	0	55	0.0	-81.91	406.83	10.15	-71.76
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012555249	0	49	0.0	-63.46	390.34	7.09	-56.37
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555250	0	48	0.0	-59.68	374.99	7.67	-52.01
CCCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555251	0	54	0.0	-61.92	426.73	8.19	-53.73
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012555252	0	58	0.0	-66.01	463.30	12.19	-53.82
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012555253	0	52	0.0	-80.91	399.89	9.03	-71.88
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012555254	0	55	0.0	-65.50	418.23	9.98	-55.52
COCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555255	0	49	0.0	-75.77	395.34	4.81	-70.96
CCCCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555256	0	57	0.0	-62.20	448.46	8.93	-53.27
CCC1CCC(NC(=O)NCC2=CC=CC=C2OCC[NH+](C)C)(C(=O)[O-])CC1	REAL300012555257	0	61	0.0	-65.51	452.56	10.05	-55.46
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012555258	0	56	0.0	-65.86	426.69	8.30	-57.56
CN(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300012555259	0	55	0.0	-82.10	409.39	9.40	-72.70
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C1CC1	REAL300012555260	0	52	0.0	-59.17	393.12	8.69	-50.48
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C1CC1	REAL300012555261	0	55	0.0	-50.77	420.74	10.09	-40.68
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012555262	0	52	0.0	-78.50	423.70	8.76	-69.74
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012555263	0	56	0.0	-53.40	434.98	11.10	-42.30
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012555264	0	61	0.0	-76.45	464.30	9.80	-66.65
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555265	0	58	0.0	-66.65	448.92	12.05	-54.60
CC1=CC=C(C(NC(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C(=O)[O-])C=C1	REAL300012555266	0	55	0.0	-74.26	441.51	9.34	-64.92
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012555267	0	48	0.0	-66.64	399.06	7.31	-59.33
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012555268	0	53	0.0	-62.14	411.18	8.50	-53.64
COCC(C)(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555269	0	52	0.0	-78.30	406.34	6.25	-72.05
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555270	0	55	0.0	-61.25	426.35	7.91	-53.34
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555271	0	54	0.0	-65.66	418.06	9.68	-55.98
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012555272	0	49	0.0	-61.54	386.85	8.80	-52.74
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012555273	0	51	0.0	-65.62	421.53	9.54	-56.08
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012555274	0	50	0.0	-72.49	389.61	5.10	-67.39
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012555275	0	58	0.0	-64.14	437.70	8.79	-55.35
CN(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300012555276	0	59	0.0	-73.11	452.90	9.47	-63.64
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012555277	0	53	0.0	-64.95	404.91	6.30	-58.65
C=CCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555278	0	52	0.0	-62.03	418.27	7.93	-54.10
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CF)C(=O)[O-]	REAL300012555279	0	45	0.0	-59.20	365.75	5.58	-53.62
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555280	0	58	0.0	-46.13	450.21	12.41	-33.72
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555281	0	48	0.0	-59.68	374.99	7.67	-52.01
CCC(CC)(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555282	0	54	0.0	-76.39	404.78	7.85	-68.54
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555283	0	54	0.0	-64.74	414.89	9.94	-54.80
CCC(COC)(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555284	0	55	0.0	-80.49	423.02	7.16	-73.33
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555285	0	58	0.0	-61.24	446.62	8.67	-52.57
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012555286	0	52	0.0	-74.25	414.75	8.14	-66.11
COCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555287	0	52	0.0	-62.25	417.64	5.66	-56.59
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555288	0	57	0.0	-73.56	433.15	10.02	-63.54
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012555289	0	48	0.0	-61.35	396.07	6.94	-54.41
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555290	0	58	0.0	-66.91	435.04	10.69	-56.22
CCCN(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(C)C(=O)[O-]	REAL300012555291	0	54	0.0	-64.80	414.39	10.00	-54.80
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555292	0	58	0.0	-46.14	452.44	12.45	-33.69
CCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012555293	0	58	0.0	-65.56	444.90	10.34	-55.22
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012555294	0	48	0.0	-60.94	390.55	6.74	-54.20
COC1(CC(NC(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C(=O)[O-])CCC1	REAL300012555295	0	59	0.0	-64.39	455.47	7.65	-56.74
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012555296	0	56	0.0	-65.86	426.69	8.30	-57.56
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012555297	0	58	0.0	-65.90	435.64	10.68	-55.22
C[C@H]1CC[C@@](NC(=O)NCC2=CC=CC=C2OCC[NH+](C)C)(C(=O)[O-])CC1	REAL300012555298	0	58	0.0	-65.76	427.28	9.18	-56.58
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012555299	0	51	0.0	-71.42	394.69	7.11	-64.31
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012555300	0	53	0.0	-68.09	416.89	9.14	-58.95
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012555301	0	49	0.0	-63.46	397.80	8.24	-55.22
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555302	0	48	0.0	-69.55	374.06	7.67	-61.88
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012555303	0	61	0.0	-66.56	441.40	9.67	-56.89
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012555304	0	50	0.0	-79.62	390.03	9.13	-70.49
COC1CN(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012555305	0	56	0.0	-65.66	432.64	8.08	-57.58
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012555306	0	59	0.0	-71.73	450.90	8.18	-63.55
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012555307	0	54	0.0	-75.82	414.76	7.69	-68.13
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555308	0	49	0.0	-74.18	413.24	7.63	-66.55
C=C(C)CC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555309	0	52	0.0	-74.82	417.81	7.78	-67.04
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012555310	0	53	0.0	-82.66	404.79	9.94	-72.72
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012555311	0	49	0.0	-71.42	395.74	8.68	-62.74
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012555312	0	49	0.0	-77.99	389.22	8.59	-69.40
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C1	REAL300012555313	0	50	0.0	-79.68	396.94	8.55	-71.13
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012555314	0	59	0.0	-63.45	455.44	7.41	-56.04
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555315	0	54	0.0	-74.82	421.84	7.94	-66.88
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012555316	0	56	0.0	-75.56	433.99	6.63	-68.93
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012555317	0	52	0.0	-64.56	420.14	8.67	-55.89
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012555318	0	52	0.0	-74.25	414.75	8.14	-66.11
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012555319	0	51	0.0	-72.72	428.94	6.76	-65.96
CC(C)CCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555320	0	60	0.0	-61.88	465.79	9.48	-52.40
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012555321	0	56	0.0	-66.36	439.91	7.04	-59.32
CSCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555322	0	49	0.0	-70.26	406.76	7.04	-63.22
COC[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555323	0	49	0.0	-75.65	395.33	4.82	-70.83
CC[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555324	0	48	0.0	-73.70	383.13	6.61	-67.09
CCC(C)CC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555325	0	57	0.0	-62.35	440.26	8.62	-53.73
C=CCCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555326	0	55	0.0	-62.37	439.77	8.71	-53.66
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012555327	0	50	0.0	-74.71	393.63	9.51	-65.20
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012555328	0	55	0.0	-65.12	427.90	9.46	-55.66
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012555329	0	49	0.0	-68.53	383.49	8.18	-60.35
CCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555330	0	51	0.0	-62.41	405.46	7.36	-55.05
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555331	0	51	0.0	-61.87	395.42	6.99	-54.88
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012555332	0	53	0.0	-80.58	404.05	10.06	-70.52
CCN(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012555333	0	54	0.0	-65.21	408.63	9.37	-55.84
CCCN(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(C)C(=O)[O-]	REAL300012555334	0	54	0.0	-64.80	414.39	10.00	-54.80
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012555335	0	48	0.0	-59.34	396.52	8.90	-50.44
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012555336	0	48	0.0	-59.34	396.52	8.90	-50.44
CN(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012555337	0	51	0.0	-65.35	389.20	8.47	-56.88
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012555338	0	49	0.0	-79.81	382.71	8.50	-71.31
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012555339	0	50	0.0	-69.13	394.73	4.81	-64.32
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555340	0	56	0.0	-63.87	437.01	11.53	-52.34
CCC[C@@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555341	0	51	0.0	-61.90	405.23	7.41	-54.49
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012555342	0	52	0.0	-64.61	420.16	8.66	-55.95
C=CCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555343	0	52	0.0	-62.03	418.27	7.93	-54.10
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012555344	0	51	0.0	-64.61	428.68	6.67	-57.94
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012555345	0	52	0.0	-83.40	413.23	6.05	-77.35
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)CC1=O	REAL300012555346	0	53	0.0	-69.00	410.66	7.80	-61.20
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012555347	0	52	0.0	-67.42	399.81	9.06	-58.36
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555348	0	51	0.0	-73.45	395.08	6.90	-66.55
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012555349	0	52	0.0	-74.38	420.10	8.65	-65.73
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012555350	0	55	0.0	-66.85	429.60	7.98	-58.87
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555351	0	48	0.0	-69.55	374.06	7.67	-61.88
CCC[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555352	0	51	0.0	-74.31	405.47	7.34	-66.97
CCN(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(C)C(=O)[O-]	REAL300012555353	0	51	0.0	-59.75	391.67	8.44	-51.31
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012555354	0	55	0.0	-65.50	418.23	9.98	-55.52
CC(CN(C)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555355	0	51	0.0	-68.02	395.19	8.10	-59.92
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555356	0	54	0.0	-74.33	413.56	7.52	-66.81
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555357	0	51	0.0	-69.94	394.94	8.63	-61.31
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012555358	0	53	0.0	-68.38	417.35	4.59	-63.79
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555359	0	61	0.0	-77.15	466.76	7.94	-69.21
CC1CCC(NC(=O)NCC2=CC=CC=C2OCC[NH+](C)C)(C(=O)[O-])C1	REAL300012555360	0	55	0.0	-66.09	420.05	8.33	-57.76
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012555361	0	58	0.0	-65.86	429.52	9.05	-56.81
COCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555362	0	52	0.0	-62.25	417.64	5.66	-56.59
CN(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012555363	0	58	0.0	-61.56	451.47	11.64	-49.92
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012555364	0	55	0.0	-67.87	421.51	9.01	-58.86
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012555365	0	52	0.0	-64.20	407.56	7.95	-56.25
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555366	0	61	0.0	-64.24	468.05	7.82	-56.42
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012555367	0	50	0.0	-73.29	393.39	4.99	-68.30
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012555368	0	53	0.0	-61.27	411.20	5.53	-55.74
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012555369	0	53	0.0	-83.93	404.42	9.65	-74.28
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012555370	0	51	0.0	-75.29	396.88	7.38	-67.91
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C1	REAL300012555371	0	55	0.0	-78.01	414.93	10.43	-67.58
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555372	0	58	0.0	-62.48	457.48	9.95	-52.53
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012555373	0	59	0.0	-62.40	452.19	10.39	-52.01
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012555374	0	52	0.0	-62.17	403.63	7.55	-54.62
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012555375	0	58	0.0	-64.14	437.70	8.79	-55.35
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012555376	0	52	0.0	-62.17	403.63	7.55	-54.62
CC1CCN(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C1C(=O)[O-]	REAL300012555377	0	52	0.0	-68.97	398.91	8.66	-60.31
C=CCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555378	0	49	0.0	-73.56	396.44	7.05	-66.51
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012555379	0	59	0.0	-78.96	457.94	7.83	-71.13
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012555380	0	59	0.0	-46.37	429.81	10.34	-36.03
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012555381	0	59	0.0	-65.46	434.00	7.60	-57.86
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012555382	0	53	0.0	-48.76	405.38	9.53	-39.23
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012555383	0	59	0.0	-62.40	452.19	10.39	-52.01
COC1CC(NC(=O)NCC2=CC=CC=C2OCC[NH+](C)C)(C(=O)[O-])C1	REAL300012555384	0	53	0.0	-69.61	418.56	6.26	-63.35
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012555385	0	49	0.0	-65.96	393.52	7.32	-58.64
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC=C2OCC[NH+](C)C)(C(=O)[O-])C1	REAL300012555386	0	53	0.0	-76.46	417.03	6.57	-69.89
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555387	0	55	0.0	-70.10	412.82	10.13	-59.97
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012555388	0	48	0.0	-66.64	399.06	7.31	-59.33
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012555389	0	56	0.0	-76.27	438.07	6.72	-69.55
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])COC1	REAL300012555390	0	47	0.0	-62.49	375.92	4.35	-58.14
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012555391	0	52	0.0	-76.58	434.26	8.66	-67.92
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555392	0	54	0.0	-75.34	403.02	7.59	-67.75
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012555393	0	50	0.0	-76.69	390.07	9.69	-67.00
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012555394	0	53	0.0	-69.64	406.03	9.27	-60.37
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555395	0	58	0.0	-46.14	452.44	12.45	-33.69
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012555396	0	61	0.0	-76.45	464.30	9.80	-66.65
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012555397	0	58	0.0	-74.54	465.37	10.38	-64.16
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012555398	0	58	0.0	-62.91	465.12	10.44	-52.47
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012555399	0	59	0.0	-63.55	445.77	9.44	-54.11
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012555400	0	61	0.0	-62.29	464.01	9.89	-52.40
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012555401	0	61	0.0	-76.64	464.36	9.79	-66.85
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012555402	0	59	0.0	-47.86	444.49	10.48	-37.38
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012555403	0	59	0.0	-69.99	442.47	10.41	-59.58
C=CCSCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555404	0	53	0.0	-70.40	441.04	8.48	-61.92
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555405	0	54	0.0	-60.07	408.67	9.41	-50.66
COC1(C(NC(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C(=O)[O-])CCC1	REAL300012555406	0	56	0.0	-71.58	431.57	6.26	-65.32
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012555407	0	52	0.0	-63.21	415.20	8.03	-55.18
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012555409	0	49	0.0	-77.99	389.22	8.59	-69.40
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012555410	0	51	0.0	-65.14	398.29	9.27	-55.87
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012555411	0	55	0.0	-69.65	418.86	9.14	-60.51
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012555412	0	59	0.0	-74.14	439.27	11.17	-62.97
CC(C)CCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555413	0	57	0.0	-61.82	444.29	8.72	-53.10
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012555414	0	56	0.0	-65.44	430.54	9.95	-55.49
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012555415	0	56	0.0	-76.27	438.07	6.72	-69.55
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C1	REAL300012555416	0	53	0.0	-76.77	427.08	9.47	-67.30
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012555417	0	56	0.0	-82.24	419.31	9.45	-72.79
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012555418	0	53	0.0	-81.14	406.45	8.54	-72.60
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012555419	0	56	0.0	-66.38	427.72	8.92	-57.46
CN(C(=O)NCC1=CC=CC=C1OCC[NH+](C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012555420	0	58	0.0	-61.69	452.99	11.67	-50.02
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012555421	0	55	0.0	-62.67	425.76	8.31	-54.36
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555422	0	52	0.0	-76.11	413.98	5.82	-70.29
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555423	0	52	0.0	-70.58	406.97	8.33	-62.25
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012555424	0	55	0.0	-65.99	440.90	11.41	-54.58
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012555425	0	55	0.0	-48.31	422.55	9.29	-39.02
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012555426	0	52	0.0	-74.01	404.91	9.61	-64.40
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012555427	0	49	0.0	-82.52	394.41	8.63	-73.89
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012555428	0	52	0.0	-75.39	432.37	8.54	-66.85
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012555429	0	52	0.0	-71.77	411.91	9.18	-62.59
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012555430	0	52	0.0	-75.39	432.37	8.54	-66.85
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012555431	0	56	0.0	-70.04	420.68	9.57	-60.47
COCCCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555432	0	55	0.0	-62.57	439.13	6.44	-56.13
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555433	0	54	0.0	-71.70	415.89	9.35	-62.35
CCOCC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300012555434	0	52	0.0	-76.35	417.69	5.80	-70.55
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012555435	0	57	0.0	-76.04	434.82	8.98	-67.06
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012555436	0	56	0.0	-65.14	434.45	6.73	-58.41
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012555437	0	56	0.0	-66.08	438.08	9.85	-56.23
C[C@H]1OCCN(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012555438	0	53	0.0	-73.17	404.63	7.86	-65.31
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012555439	0	49	0.0	-63.25	404.86	7.09	-56.16
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012555440	0	52	0.0	-66.30	422.56	9.55	-56.75
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300012555441	0	48	0.0	-59.96	374.49	7.55	-52.41
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C1	REAL300012555442	0	56	0.0	-75.24	437.03	8.54	-66.70
CC(C)C[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555661	0	54	0.0	-71.04	415.73	9.15	-61.89
CC(C)C[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555661	1	54	0.0	-73.39	423.00	9.19	-64.20
C=CCOCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555662	0	53	0.0	-75.90	430.86	7.60	-68.30
C=CCOCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555662	1	53	0.0	-76.42	431.57	7.66	-68.76
C=CC(C)C(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555663	0	52	0.0	-74.36	410.30	8.70	-65.66
C=CC(C)C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555663	1	52	0.0	-73.31	409.78	8.94	-64.37
O=C([O-])C(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C1CCOCC1	REAL300012555664	0	56	0.0	-74.02	431.81	7.81	-66.21
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1CCOCC1	REAL300012555664	1	56	0.0	-77.17	422.74	7.58	-69.59
COC1CCN(C(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)C(C(=O)[O-])C1	REAL300012555665	0	56	0.0	-81.88	426.75	9.72	-72.16
COC1CCN(C(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)C(C(=O)[O-])C1	REAL300012555665	1	56	0.0	-82.86	420.90	9.93	-72.93
O=C([O-])C(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C1CCCOC1	REAL300012555666	0	56	0.0	-71.49	427.81	7.86	-63.63
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1CCCOC1	REAL300012555666	1	56	0.0	-73.71	435.07	7.91	-65.80
CC1CCN(C(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)C(C(=O)[O-])C1	REAL300012555667	0	55	0.0	-83.34	415.65	11.59	-71.75
CC1CCN(C(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)C(C(=O)[O-])C1	REAL300012555667	1	55	0.0	-81.30	408.69	11.35	-69.95
CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555668	0	51	0.0	-60.67	396.44	9.90	-50.77
CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555668	1	51	0.0	-62.61	397.67	10.36	-52.25
CC(C(=O)[O-])N(C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C1CCC1	REAL300012555669	0	55	0.0	-63.97	409.98	10.39	-53.58
CC(C(=O)[O-])N(C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1CCC1	REAL300012555669	1	55	0.0	-63.10	417.45	10.85	-52.25
CCCN(C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(COC)C(=O)[O-]	REAL300012555670	0	58	0.0	-74.11	434.24	9.49	-64.62
CCCN(C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(COC)C(=O)[O-]	REAL300012555670	1	58	0.0	-75.93	439.58	11.37	-64.56
CCCN(C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(CC)C(=O)[O-]	REAL300012555671	0	57	0.0	-53.99	428.26	12.20	-41.79
CCCN(C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(CC)C(=O)[O-]	REAL300012555671	1	57	0.0	-57.92	422.49	12.03	-45.89
CC(C)C(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555672	0	51	0.0	-75.02	397.42	8.15	-66.87
CC(C)C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555672	1	51	0.0	-72.38	399.26	8.37	-64.01
O=C([O-])C1CCCCN1C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555673	0	52	0.0	-81.35	394.28	10.71	-70.64
O=C([O-])C1CCCCN1C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555673	1	52	0.0	-81.57	394.74	10.75	-70.82
O=C([O-])C1CSCCN1C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555674	0	50	0.0	-79.67	394.38	10.74	-68.93
O=C([O-])C1CSCCN1C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555674	1	50	0.0	-80.45	395.38	10.94	-69.51
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)CCCCC1	REAL300012555675	0	55	0.0	-78.12	406.52	9.56	-68.56
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)CCCCC1	REAL300012555675	1	55	0.0	-76.47	405.07	9.50	-66.97
O=C([O-])C1CCCN1C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555676	0	49	0.0	-79.32	384.24	9.42	-69.90
O=C([O-])C1CCCN1C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555676	1	49	0.0	-80.36	384.63	9.43	-70.93
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)CCCC1	REAL300012555677	0	52	0.0	-74.41	392.28	8.86	-65.55
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)CCCC1	REAL300012555677	1	52	0.0	-76.48	393.20	8.91	-67.57
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)CCCCCC1	REAL300012555678	0	58	0.0	-76.97	419.88	10.70	-66.27
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)CCCCCC1	REAL300012555678	1	58	0.0	-77.19	410.73	10.17	-67.02
O=C([O-])CNC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555679	0	42	0.0	-65.24	334.39	5.49	-59.75
O=C([O-])CNC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555679	1	42	0.0	-65.05	335.63	5.94	-59.11
O=C([O-])[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C1=CC=CC=C1	REAL300012555680	0	52	0.0	-73.25	413.79	9.94	-63.31
O=C([O-])[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1=CC=CC=C1	REAL300012555680	1	52	0.0	-75.71	421.30	9.91	-65.80
O=C([O-])C(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C1=CC=CC=C1	REAL300012555681	0	52	0.0	-75.47	420.25	9.91	-65.56
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1=CC=CC=C1	REAL300012555681	1	52	0.0	-75.08	414.42	9.86	-65.22
CCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555682	0	48	0.0	-74.11	383.90	7.84	-66.27
CCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555682	1	48	0.0	-73.81	384.84	7.89	-65.92
CC(C)C(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555683	0	51	0.0	-75.02	397.42	8.15	-66.87
CC(C)C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555683	1	51	0.0	-72.38	399.26	8.37	-64.01
CN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555684	0	45	0.0	-74.23	353.13	8.16	-66.07
CN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555684	1	45	0.0	-72.55	351.84	8.12	-64.43
CC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555685	0	45	0.0	-65.43	355.01	6.35	-59.08
CC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555685	1	45	0.0	-66.09	363.61	6.77	-59.32
CCC(C)C(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555686	0	54	0.0	-72.90	417.83	9.06	-63.84
CCC(C)C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555686	1	54	0.0	-74.66	416.33	8.79	-65.87
CN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555687	0	45	0.0	-74.23	353.13	8.16	-66.07
CN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555687	1	45	0.0	-72.55	351.84	8.12	-64.43
O=C([O-])C1CCCCN1C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555688	0	52	0.0	-81.35	394.28	10.71	-70.64
O=C([O-])C1CCCCN1C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555688	1	52	0.0	-81.57	394.74	10.75	-70.82
CCCC(C)(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555689	0	54	0.0	-72.70	410.35	8.96	-63.74
CCCC(C)(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555689	1	54	0.0	-72.79	403.88	8.91	-63.88
CC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555690	0	51	0.0	-61.69	385.06	9.41	-52.28
CC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555690	1	51	0.0	-63.46	386.30	9.87	-53.59
O=C([O-])CN(C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C1CC1	REAL300012555691	0	49	0.0	-73.44	387.59	10.01	-63.43
O=C([O-])CN(C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1CC1	REAL300012555691	1	49	0.0	-74.45	387.99	10.01	-64.44
C=CCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555692	0	49	0.0	-59.60	392.23	10.01	-49.59
C=CCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555692	1	49	0.0	-62.42	388.99	10.16	-52.26
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555693	0	54	0.0	-58.44	412.17	10.44	-48.00
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555693	1	54	0.0	-62.55	412.33	10.88	-51.67
CC(C)(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555694	0	48	0.0	-64.13	375.47	7.19	-56.94
CC(C)(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555694	1	48	0.0	-64.35	368.99	7.17	-57.18
CC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)(C(=O)[O-])C1CC1	REAL300012555695	0	52	0.0	-71.14	391.43	8.92	-62.22
CC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)(C(=O)[O-])C1CC1	REAL300012555695	1	52	0.0	-75.38	398.76	8.95	-66.43
O=C([O-])C(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C1=CC=CS1	REAL300012555696	0	49	0.0	-74.08	404.56	8.57	-65.51
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1=CC=CS1	REAL300012555696	1	49	0.0	-73.09	405.41	8.97	-64.12
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)CCCCC1	REAL300012555697	0	55	0.0	-78.12	406.52	9.56	-68.56
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)CCCCC1	REAL300012555697	1	55	0.0	-76.47	405.07	9.50	-66.97
CC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555698	0	51	0.0	-61.69	385.06	9.41	-52.28
CC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555698	1	51	0.0	-63.46	386.30	9.87	-53.59
CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555699	0	51	0.0	-60.67	396.44	9.90	-50.77
CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555699	1	51	0.0	-62.61	397.67	10.36	-52.25
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C[C@H]1CC[C@@](NC(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)(C(=O)[O-])CC1	REAL300012555756	0	58	0.0	-78.24	420.33	9.95	-68.29
C[C@H]1CC[C@@](NC(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)(C(=O)[O-])CC1	REAL300012555756	1	58	0.0	-77.12	428.42	10.42	-66.70
CC(CCF)(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555757	0	51	0.0	-71.04	395.45	8.33	-62.71
CC(CCF)(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555757	1	51	0.0	-69.64	388.97	8.30	-61.34
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C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555759	0	48	0.0	-70.19	367.10	8.39	-61.80
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555759	1	48	0.0	-70.43	375.21	8.88	-61.55
O=C([O-])C12CC(C1)CN2C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555760	0	50	0.0	-79.19	381.73	10.34	-68.85
O=C([O-])C12CC(C1)CN2C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555760	1	50	0.0	-84.13	384.29	10.34	-73.79
COC1CN(C(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)C(C)(C(=O)[O-])C1	REAL300012555761	0	56	0.0	-75.87	425.55	9.29	-66.58
COC1CN(C(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)C(C)(C(=O)[O-])C1	REAL300012555761	1	56	0.0	-76.23	433.74	9.31	-66.92
CC(C)(C)[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555762	0	54	0.0	-72.61	408.65	8.90	-63.71
CC(C)(C)[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555762	1	54	0.0	-74.94	415.91	8.94	-66.00
C=C(Cl)CC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555763	0	49	0.0	-75.20	414.00	8.87	-66.33
C=C(Cl)CC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555763	1	49	0.0	-70.15	413.32	9.01	-61.14
C=C(C)CC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555764	0	52	0.0	-74.82	418.59	9.01	-65.81
C=C(C)CC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555764	1	52	0.0	-74.81	418.24	9.13	-65.68
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555765	0	53	0.0	-86.87	405.28	11.18	-75.69
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555765	1	53	0.0	-83.92	397.10	11.17	-72.75
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555766	0	49	0.0	-73.93	396.48	9.89	-64.04
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555766	1	49	0.0	-73.12	396.87	9.90	-63.22
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O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555767	1	49	0.0	-77.12	390.35	9.82	-67.30
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)C1	REAL300012555768	0	50	0.0	-79.34	390.07	9.32	-70.02
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)C1	REAL300012555768	1	50	0.0	-80.60	392.59	9.72	-70.88
CC(C)C[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555769	0	54	0.0	-71.04	415.73	9.15	-61.89
CC(C)C[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555769	1	54	0.0	-73.39	423.00	9.19	-64.20
O=C([O-])C(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C1CCOCC1	REAL300012555770	0	56	0.0	-74.02	431.81	7.81	-66.21
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1CCOCC1	REAL300012555770	1	56	0.0	-77.17	422.74	7.58	-69.59
O=C([O-])C(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C1=CC=CC=C1	REAL300012555771	0	52	0.0	-75.47	420.25	9.91	-65.56
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1=CC=CC=C1	REAL300012555771	1	52	0.0	-75.08	414.42	9.86	-65.22
O=C([O-])C(CC1CC1)NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555772	0	52	0.0	-74.89	409.13	8.76	-66.13
O=C([O-])C(CC1CC1)NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555772	1	52	0.0	-73.83	409.85	9.34	-64.49
CC(C)CCCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555773	0	60	0.0	-73.97	465.97	10.67	-63.30
CC(C)CCCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555773	1	60	0.0	-74.16	467.15	10.68	-63.48
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555774	0	56	0.0	-79.11	441.33	8.17	-70.94
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555774	1	56	0.0	-77.41	434.21	8.24	-69.17
CSCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555775	0	49	0.0	-71.39	407.53	8.27	-63.12
CSCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555775	1	49	0.0	-71.44	408.55	8.24	-63.20
COC[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555776	0	49	0.0	-73.09	389.72	6.03	-67.06
COC[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555776	1	49	0.0	-74.78	396.49	6.05	-68.73
CC[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555777	0	48	0.0	-70.65	377.03	7.80	-62.85
CC[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555777	1	48	0.0	-73.70	385.12	7.83	-65.87
CCC(C)CC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555778	0	57	0.0	-75.05	441.67	9.78	-65.27
CCC(C)CC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555778	1	57	0.0	-74.50	441.90	9.85	-64.65
C=CCCCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555779	0	55	0.0	-73.47	439.69	9.94	-63.53
C=CCCCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555779	1	55	0.0	-74.27	440.90	9.94	-64.33
O=C([O-])C1CSCCN1C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555780	0	50	0.0	-79.67	394.38	10.74	-68.93
O=C([O-])C1CSCCN1C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555780	1	50	0.0	-80.45	395.38	10.94	-69.51
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555781	0	49	0.0	-78.68	378.82	9.28	-69.40
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555781	1	49	0.0	-80.38	384.63	9.42	-70.96
CCCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555782	0	51	0.0	-74.07	405.40	8.60	-65.47
CCCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555782	1	51	0.0	-74.26	406.59	8.60	-65.66
CC(C)[C@@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555783	0	51	0.0	-71.40	392.97	8.40	-63.00
CC(C)[C@@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555783	1	51	0.0	-74.75	402.16	8.41	-66.34
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555784	0	53	0.0	-85.89	405.42	11.31	-74.58
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555784	1	53	0.0	-84.39	398.45	11.26	-73.13
CCN(C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(C)(C)C(=O)[O-]	REAL300012555785	0	54	0.0	-77.36	401.68	10.08	-67.28
CCN(C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(C)(C)C(=O)[O-]	REAL300012555785	1	54	0.0	-76.82	409.85	10.59	-66.23
CCCN(C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(C)C(=O)[O-]	REAL300012555786	0	54	0.0	-55.32	405.10	10.69	-44.63
CCCN(C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(C)C(=O)[O-]	REAL300012555786	1	54	0.0	-57.23	408.91	11.17	-46.06
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555787	0	48	0.0	-69.07	397.29	10.14	-58.93
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555787	1	48	0.0	-69.52	397.66	10.13	-59.39
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555788	0	48	0.0	-69.07	397.29	10.14	-58.93
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555788	1	48	0.0	-69.52	397.66	10.13	-59.39
CN(C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(C)(C)C(=O)[O-]	REAL300012555789	0	51	0.0	-77.40	382.24	9.21	-68.19
CN(C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(C)(C)C(=O)[O-]	REAL300012555789	1	51	0.0	-76.95	390.26	9.73	-67.22
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555790	0	49	0.0	-80.41	383.53	9.73	-70.68
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555790	1	49	0.0	-79.43	376.96	9.70	-69.73
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555791	0	50	0.0	-81.17	395.54	6.04	-75.13
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555791	1	50	0.0	-81.34	386.54	5.51	-75.83
CCC[C@@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555792	0	51	0.0	-74.82	398.50	8.10	-66.72
CCC[C@@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555792	1	51	0.0	-73.84	406.38	8.66	-65.18
O=C([O-])[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C1=CC=CC=C1	REAL300012555793	0	52	0.0	-73.25	413.79	9.94	-63.31
O=C([O-])[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1=CC=CC=C1	REAL300012555793	1	52	0.0	-75.71	421.30	9.91	-65.80
C=CCCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555794	0	52	0.0	-74.31	419.04	9.15	-65.16
C=CCCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555794	1	52	0.0	-73.55	419.16	9.22	-64.33
CN1CC(C(=O)[O-])N(C(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)CC1=O	REAL300012555795	0	53	0.0	-74.35	411.50	9.01	-65.34
CN1CC(C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)CC1=O	REAL300012555795	1	53	0.0	-74.10	405.33	9.09	-65.01
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555796	0	52	0.0	-77.01	393.70	10.24	-66.77
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555796	1	52	0.0	-79.82	400.97	10.29	-69.53
CC(C)[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555797	0	51	0.0	-70.46	388.98	8.09	-62.37
CC(C)[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555797	1	51	0.0	-72.37	399.27	8.37	-64.00
O=C([O-])[C@@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C1=CC=CC=C1	REAL300012555798	0	52	0.0	-72.93	414.02	9.86	-63.07
O=C([O-])[C@@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1=CC=CC=C1	REAL300012555798	1	52	0.0	-74.65	420.66	9.93	-64.72
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555799	0	48	0.0	-70.19	367.10	8.39	-61.80
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555799	1	48	0.0	-70.43	375.21	8.88	-61.55
CCC[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555800	0	51	0.0	-71.38	399.36	8.55	-62.83
CCC[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555800	1	51	0.0	-73.73	406.62	8.59	-65.14
CCN(C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(C)C(=O)[O-]	REAL300012555801	0	51	0.0	-70.92	393.51	9.73	-61.19
CCN(C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(C)C(=O)[O-]	REAL300012555801	1	51	0.0	-70.43	385.44	9.53	-60.90
O=C([O-])CN(C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C1CCCC1	REAL300012555802	0	55	0.0	-59.40	412.13	11.17	-48.23
O=C([O-])CN(C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1CCCC1	REAL300012555802	1	55	0.0	-60.82	419.40	11.20	-49.62
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CC(CN(C)C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555803	1	51	0.0	-74.42	386.94	8.78	-65.64
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CC(C)C(C)(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555830	0	54	0.0	-74.68	403.79	8.81	-65.87
CC(C)C(C)(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555830	1	54	0.0	-73.53	399.11	8.84	-64.69
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CCC(C(=O)[O-])N(CC)C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555834	0	54	0.0	-72.24	401.72	10.14	-62.10
CCC(C(=O)[O-])N(CC)C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555834	1	54	0.0	-72.38	403.28	10.66	-61.72
COC1(C(NC(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)C(=O)[O-])CCC1	REAL300012555835	0	56	0.0	-69.21	424.75	7.48	-61.73
COC1(C(NC(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)C(=O)[O-])CCC1	REAL300012555835	1	56	0.0	-77.94	433.73	7.69	-70.25
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CC1(C)CCN(C(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)C1C(=O)[O-]	REAL300012555839	0	55	0.0	-81.40	415.83	10.69	-70.71
CC1(C)CCN(C(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)C1C(=O)[O-]	REAL300012555839	1	55	0.0	-83.07	421.42	10.25	-72.82
CC(C)CCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555840	0	57	0.0	-74.88	445.30	9.88	-65.00
CC(C)CCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555840	1	57	0.0	-74.43	445.66	9.90	-64.53
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CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)C1	REAL300012555843	0	53	0.0	-78.35	426.78	10.92	-67.43
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)C1	REAL300012555843	1	53	0.0	-77.67	426.96	10.90	-66.77
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)CCCC2CC21	REAL300012555844	0	56	0.0	-80.16	420.01	10.69	-69.47
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)CCCC2CC21	REAL300012555844	1	56	0.0	-78.58	413.61	10.63	-67.95
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O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)CC2(CCC2)C1	REAL300012555846	1	56	0.0	-77.34	428.54	10.17	-67.17
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CO[C@H](C)[C@H](NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555848	0	52	0.0	-72.19	407.38	7.03	-65.16
CO[C@H](C)[C@H](NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555848	1	52	0.0	-74.50	414.64	7.07	-67.43
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555849	0	52	0.0	-79.05	403.89	9.37	-69.68
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555849	1	52	0.0	-76.51	399.26	9.08	-67.43
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)C1	REAL300012555850	0	55	0.0	-59.23	417.38	10.47	-48.76
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)C1	REAL300012555850	1	55	0.0	-59.01	416.78	10.49	-48.52
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COCCCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555853	1	55	0.0	-73.73	440.26	7.67	-66.06
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555854	0	54	0.0	-69.30	410.33	10.59	-58.71
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555854	1	54	0.0	-71.10	418.09	10.73	-60.37
CCOCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555855	0	52	0.0	-76.63	418.43	7.04	-69.59
CCOCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555855	1	52	0.0	-76.26	418.80	7.05	-69.21
CC(C)(C)CC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555856	0	57	0.0	-73.23	435.32	10.27	-62.96
CC(C)(C)CC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555856	1	57	0.0	-74.91	435.92	10.21	-64.70
O=C([O-])C(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C1CCCCO1	REAL300012555857	0	56	0.0	-74.28	428.96	8.39	-65.89
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1CCCCO1	REAL300012555857	1	56	0.0	-77.23	435.61	7.98	-69.25
C[C@H]1OCCN(C(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)[C@@H]1C(=O)[O-]	REAL300012555858	0	53	0.0	-81.30	406.22	9.31	-71.99
C[C@H]1OCCN(C(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)[C@@H]1C(=O)[O-]	REAL300012555858	1	53	0.0	-79.62	405.87	9.05	-70.57
N#CCCC(NC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555859	0	49	0.0	-75.57	404.75	8.34	-67.23
N#CCCC(NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300012555859	1	49	0.0	-75.19	405.70	8.39	-66.80
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555860	0	52	0.0	-61.16	423.31	10.77	-50.39
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555860	1	52	0.0	-63.52	416.84	10.74	-52.78
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300012555861	0	48	0.0	-70.42	374.69	8.72	-61.70
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300012555861	1	48	0.0	-70.90	375.04	8.82	-62.08
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)C1	REAL300012555862	0	56	0.0	-81.11	439.44	9.37	-71.74
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)C1	REAL300012555862	1	56	0.0	-80.27	439.73	9.39	-70.88
CC(C)C[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555863	0	54	0.0	-78.50	423.80	9.18	-69.32
C=CCOCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555864	0	53	0.0	-80.47	431.35	7.57	-72.90
C=CC(C)C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555865	0	52	0.0	-79.26	410.59	8.64	-70.62
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCOCC1	REAL300012555866	0	56	0.0	-81.80	429.82	7.55	-74.25
COC1CCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C(C(=O)[O-])C1	REAL300012555867	0	56	0.0	-89.98	425.32	9.87	-80.11
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCCOC1	REAL300012555868	0	56	0.0	-76.59	428.60	7.67	-68.92
CC1CCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C(C(=O)[O-])C1	REAL300012555869	0	55	0.0	-89.32	408.90	11.17	-78.15
CCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555870	0	51	0.0	-63.32	404.17	10.36	-52.96
CC(C(=O)[O-])N(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCC1	REAL300012555871	0	55	0.0	-65.35	416.74	10.73	-54.62
CCCN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(COC)C(=O)[O-]	REAL300012555872	0	58	0.0	-76.22	442.07	10.05	-66.17
CCCN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(CC)C(=O)[O-]	REAL300012555873	0	57	0.0	-68.48	430.02	11.31	-57.17
CC(C)C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555874	0	51	0.0	-78.52	397.43	8.10	-70.42
O=C([O-])C1CCCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555875	0	52	0.0	-89.86	395.44	10.98	-78.88
O=C([O-])C1CSCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555876	0	50	0.0	-87.95	395.64	11.02	-76.93
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCCCC1	REAL300012555877	0	55	0.0	-82.88	414.68	10.04	-72.84
O=C([O-])C1CCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555878	0	49	0.0	-86.67	386.09	9.33	-77.34
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCCC1	REAL300012555879	0	52	0.0	-82.81	399.57	8.92	-73.89
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCCCCC1	REAL300012555880	0	58	0.0	-83.75	420.35	10.71	-73.04
O=C([O-])CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555881	0	42	0.0	-67.29	342.12	5.91	-61.38
O=C([O-])[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1=CC=CC=C1	REAL300012555882	0	52	0.0	-79.44	420.65	9.93	-69.51
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1=CC=CC=C1	REAL300012555883	0	52	0.0	-79.83	420.89	9.85	-69.98
CCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555884	0	48	0.0	-77.12	384.12	7.84	-69.28
CC(C)C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555885	0	51	0.0	-78.52	397.43	8.10	-70.42
CN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555886	0	45	0.0	-77.70	360.86	8.60	-69.10
CC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555887	0	45	0.0	-68.31	362.84	6.72	-61.59
CCC(C)C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555888	0	54	0.0	-78.60	419.35	8.98	-69.62
CN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555889	0	45	0.0	-77.70	360.86	8.60	-69.10
O=C([O-])C1CCCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555890	0	52	0.0	-89.86	395.44	10.98	-78.88
CCCC(C)(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555891	0	54	0.0	-78.44	410.37	8.90	-69.54
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555892	0	51	0.0	-65.46	392.41	9.87	-55.59
O=C([O-])CN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CC1	REAL300012555893	0	49	0.0	-60.39	386.64	10.20	-50.19
C=CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555894	0	49	0.0	-63.13	395.48	10.15	-52.98
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555895	0	54	0.0	-62.67	418.58	10.65	-52.02
CC(C)(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555896	0	48	0.0	-66.06	375.48	7.14	-58.92
CC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)(C(=O)[O-])C1CC1	REAL300012555897	0	52	0.0	-80.41	398.35	8.89	-71.52
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1=CC=CS1	REAL300012555898	0	49	0.0	-77.75	412.51	8.92	-68.83
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCCCC1	REAL300012555899	0	55	0.0	-82.88	414.68	10.04	-72.84
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555900	0	51	0.0	-65.46	392.41	9.87	-55.59
CCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555901	0	51	0.0	-63.32	404.17	10.36	-52.96
CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555902	0	48	0.0	-78.09	382.67	9.59	-68.50
CC[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555903	0	54	0.0	-77.91	414.73	8.78	-69.13
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCCC1	REAL300012555904	0	52	0.0	-82.81	399.57	8.92	-73.89
CCC(C)(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555905	0	51	0.0	-78.22	388.88	8.14	-70.08
C[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555906	0	45	0.0	-67.83	362.89	6.75	-61.08
CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555907	0	48	0.0	-78.09	382.67	9.59	-68.50
C[C@@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555908	0	45	0.0	-68.26	363.63	6.79	-61.47
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CC1	REAL300012555909	0	46	0.0	-84.41	369.47	8.04	-76.37
O=C([O-])C1COCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555910	0	50	0.0	-86.52	386.40	8.46	-78.06
CN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1(C(=O)[O-])CCCCC1	REAL300012555911	0	58	0.0	-84.16	423.91	11.37	-72.79
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CC1	REAL300012555912	0	49	0.0	-78.70	394.90	8.38	-70.32
COCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555913	0	52	0.0	-63.84	414.05	8.78	-55.06
O=C([O-])[C@H]1CCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555914	0	49	0.0	-84.56	383.88	9.37	-75.19
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555915	0	52	0.0	-88.63	394.76	10.76	-77.87
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555916	0	48	0.0	-74.48	374.70	8.68	-65.80
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555917	0	49	0.0	-85.87	383.94	9.75	-76.12
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCC1	REAL300012555918	0	49	0.0	-83.88	386.29	8.55	-75.33
C=CCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555919	0	49	0.0	-77.98	398.02	8.22	-69.76
CC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555920	0	52	0.0	-85.12	400.61	10.23	-74.89
O=C([O-])C1CCCCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555921	0	55	0.0	-82.71	408.99	11.04	-71.67
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CC1	REAL300012555922	0	49	0.0	-78.70	394.90	8.38	-70.32
CC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555923	0	48	0.0	-73.07	375.38	8.85	-64.22
CCCCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555924	0	54	0.0	-77.43	427.36	9.32	-68.11
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555925	0	52	0.0	-84.69	400.65	10.23	-74.46
O=C([O-])CN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCCC1	REAL300012555926	0	55	0.0	-61.62	412.92	10.94	-50.68
COCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555927	0	49	0.0	-79.63	396.60	6.02	-73.61
CCCCCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555928	0	57	0.0	-76.97	448.61	10.17	-66.80
O=C([O-])CN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCOCC1	REAL300012555929	0	56	0.0	-63.22	427.45	9.50	-53.72
CN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1(C(=O)[O-])CCCC1	REAL300012555930	0	55	0.0	-85.14	410.60	10.64	-74.50
CC(C(=O)[O-])N(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CC1	REAL300012555931	0	52	0.0	-65.33	401.51	10.35	-54.98
CCC(C(=O)[O-])N(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CC1	REAL300012555932	0	55	0.0	-77.61	416.92	11.28	-66.33
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555933	0	48	0.0	-72.65	400.67	8.47	-64.18
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCSCC1	REAL300012555934	0	53	0.0	-78.48	412.33	9.74	-68.74
COCC(C)(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555935	0	52	0.0	-81.71	406.74	7.44	-74.27
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555936	0	55	0.0	-74.99	427.35	9.19	-65.80
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555937	0	54	0.0	-62.67	418.58	10.65	-52.02
O=C([O-])CN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CC1	REAL300012555938	0	49	0.0	-60.39	386.64	10.20	-50.19
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCOC1	REAL300012555939	0	50	0.0	-78.17	390.24	6.29	-71.88
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCCCC1	REAL300012555940	0	58	0.0	-79.83	437.83	10.05	-69.78
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCOCC1	REAL300012555941	0	53	0.0	-81.48	406.11	7.55	-73.93
C=CCCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555942	0	52	0.0	-77.22	418.67	9.10	-68.12
O=C([O-])C(CF)NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555943	0	45	0.0	-65.81	366.53	6.77	-59.04
CC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555944	0	48	0.0	-73.07	375.38	8.85	-64.22
CCC(CC)(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555945	0	54	0.0	-79.80	405.26	9.03	-70.77
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555946	0	54	0.0	-63.97	413.01	10.93	-53.04
CCC(COC)(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555947	0	55	0.0	-84.31	423.56	8.34	-75.97
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555948	0	58	0.0	-75.55	448.01	9.93	-65.62
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555949	0	52	0.0	-77.31	415.52	9.34	-67.97
COCCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555950	0	52	0.0	-77.14	417.79	6.90	-70.24
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555951	0	57	0.0	-73.62	433.19	11.16	-62.46
O=C([O-])C(CC(F)F)NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555952	0	48	0.0	-77.22	396.84	8.11	-69.11
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555953	0	58	0.0	-87.70	435.24	12.21	-75.49
CCCN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(C)C(=O)[O-]	REAL300012555954	0	54	0.0	-60.67	412.43	11.19	-49.48
O=C([O-])C(CCF)NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555955	0	48	0.0	-75.68	390.71	7.98	-67.70
O=C([O-])CN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCOCC1	REAL300012555956	0	56	0.0	-63.22	427.45	9.50	-53.72
O=C([O-])CN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCCCC1	REAL300012555957	0	58	0.0	-63.11	436.37	11.87	-51.24
C[C@H]1CC[C@@](NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)(C(=O)[O-])CC1	REAL300012555958	0	58	0.0	-83.17	428.47	10.43	-72.74
CC(CCF)(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555959	0	51	0.0	-75.10	395.47	8.28	-66.82
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555960	0	49	0.0	-79.37	398.58	9.43	-69.94
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555961	0	48	0.0	-73.44	375.74	8.84	-64.60
O=C([O-])C12CC(C1)CN2C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555962	0	50	0.0	-91.26	391.14	10.38	-80.88
COC1CN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C(C)(C(=O)[O-])C1	REAL300012555963	0	56	0.0	-85.39	433.87	9.21	-76.18
CC(C)(C)[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555964	0	54	0.0	-78.16	413.90	8.89	-69.27
C=C(Cl)CC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555965	0	49	0.0	-73.95	412.96	8.96	-64.99
C=C(C)CC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555966	0	52	0.0	-78.53	416.07	9.14	-69.39
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555967	0	53	0.0	-93.67	405.57	11.12	-82.55
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555968	0	49	0.0	-78.53	397.27	9.53	-69.00
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555969	0	49	0.0	-82.28	390.34	9.85	-72.43
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300012555970	0	50	0.0	-86.21	397.71	9.75	-76.46
CC(C)C[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555971	0	54	0.0	-78.50	423.80	9.18	-69.32
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCOCC1	REAL300012555972	0	56	0.0	-81.80	429.82	7.55	-74.25
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1=CC=CC=C1	REAL300012555973	0	52	0.0	-79.83	420.89	9.85	-69.98
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555974	0	52	0.0	-77.31	415.52	9.34	-67.97
CC(C)CCCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555975	0	60	0.0	-77.79	466.56	10.66	-67.13
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555976	0	56	0.0	-82.59	440.69	8.22	-74.37
CSCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555977	0	49	0.0	-75.97	408.44	8.13	-67.84
COC[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555978	0	49	0.0	-78.96	396.51	6.07	-72.89
CC[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555979	0	48	0.0	-78.15	385.14	7.84	-70.31
CCC(C)CC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555980	0	57	0.0	-77.79	441.17	9.80	-67.99
C=CCCCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555981	0	55	0.0	-77.49	440.17	9.88	-67.61
O=C([O-])C1CSCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555982	0	50	0.0	-87.95	395.64	11.02	-76.93
O=C([O-])[C@H]1CCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555983	0	49	0.0	-84.56	383.88	9.37	-75.19
CCCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555984	0	51	0.0	-77.47	405.86	8.54	-68.93
CC(C)[C@@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555985	0	51	0.0	-78.71	401.75	8.36	-70.35
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555986	0	53	0.0	-92.30	405.57	11.29	-81.01
CCN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(C)(C)C(=O)[O-]	REAL300012555987	0	54	0.0	-81.04	409.08	10.55	-70.49
CCCN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(C)C(=O)[O-]	REAL300012555988	0	54	0.0	-60.67	412.43	11.19	-49.48
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555989	0	48	0.0	-73.38	397.28	10.10	-63.28
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555990	0	48	0.0	-73.38	397.28	10.10	-63.28
CN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(C)(C)C(=O)[O-]	REAL300012555991	0	51	0.0	-82.23	389.88	9.69	-72.54
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555992	0	49	0.0	-85.87	383.94	9.75	-76.12
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555993	0	50	0.0	-87.56	395.49	5.98	-81.58
CCC[C@@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555994	0	51	0.0	-78.27	406.64	8.60	-69.67
O=C([O-])[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1=CC=CC=C1	REAL300012555995	0	52	0.0	-79.44	420.65	9.93	-69.51
C=CCCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555996	0	52	0.0	-77.22	418.67	9.10	-68.12
CN1CC(C(=O)[O-])N(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CC1=O	REAL300012555997	0	53	0.0	-79.86	412.16	9.01	-70.85
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012555998	0	52	0.0	-83.86	400.25	10.25	-73.61
CC(C)[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012555999	0	51	0.0	-77.33	395.84	8.08	-69.25
O=C([O-])[C@@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1=CC=CC=C1	REAL300012556000	0	52	0.0	-79.24	420.67	9.94	-69.30
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556001	0	48	0.0	-73.44	375.74	8.84	-64.60
CCC[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556002	0	51	0.0	-77.56	405.40	8.57	-68.99
CCN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(C)C(=O)[O-]	REAL300012556003	0	51	0.0	-73.57	391.56	9.52	-64.05
O=C([O-])CN(C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCCC1	REAL300012556004	0	55	0.0	-61.62	412.92	10.94	-50.68
CC(CN(C)C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556005	0	51	0.0	-78.18	395.97	9.27	-68.91
CC[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556006	0	54	0.0	-77.91	414.73	8.78	-69.13
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556007	0	51	0.0	-74.19	395.53	9.99	-64.20
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CC(CO)C1	REAL300012556008	0	53	0.0	-88.44	416.81	5.74	-82.70
CC1CCC(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)(C(=O)[O-])C1	REAL300012556009	0	55	0.0	-83.12	421.24	9.57	-73.55
CC1(C)CCCC1(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556010	0	58	0.0	-83.02	430.27	10.25	-72.77
COCCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556011	0	52	0.0	-77.14	417.79	6.90	-70.24
CC1(C)CC(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)(C(=O)[O-])C1	REAL300012556012	0	55	0.0	-84.48	422.72	10.26	-74.22
CC1(C(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C(=O)[O-])CC1	REAL300012556013	0	52	0.0	-78.81	413.87	8.97	-69.84
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556014	0	50	0.0	-92.24	395.87	6.21	-86.03
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCOC1	REAL300012556015	0	53	0.0	-78.47	411.49	6.81	-71.66
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556016	0	53	0.0	-89.60	405.64	10.82	-78.78
O=C([O-])C12COC(CN1C(=O)NCC1CC[NH+](CC3=CC=CS3)CC1)C2	REAL300012556017	0	51	0.0	-86.75	398.12	8.51	-78.24
CC1CCC(C(=O)[O-])N(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300012556018	0	55	0.0	-89.51	416.07	11.60	-77.91
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCC1	REAL300012556019	0	52	0.0	-79.31	411.51	8.82	-70.49
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCCCC1	REAL300012556020	0	58	0.0	-79.83	437.83	10.05	-69.78
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCC1	REAL300012556021	0	52	0.0	-79.31	411.51	8.82	-70.49
CC1CCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1C(=O)[O-]	REAL300012556022	0	52	0.0	-86.54	405.28	10.06	-76.48
C=CCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556023	0	49	0.0	-77.98	398.02	8.22	-69.76
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556024	0	53	0.0	-61.24	406.34	10.76	-50.48
COC1CC(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)(C(=O)[O-])C1	REAL300012556025	0	53	0.0	-86.14	419.64	7.52	-78.62
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CC(F)(F)C1	REAL300012556026	0	49	0.0	-81.83	394.72	8.57	-73.26
CO[C@H]1C[C@](NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)(C(=O)[O-])C1	REAL300012556027	0	53	0.0	-81.26	418.23	7.81	-73.45
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556028	0	55	0.0	-87.81	413.86	11.49	-76.32
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556029	0	48	0.0	-72.65	400.67	8.47	-64.18
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556030	0	56	0.0	-77.96	439.39	7.90	-70.06
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)COC1	REAL300012556031	0	47	0.0	-77.16	377.24	5.58	-71.58
CC(C)C(C)(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556032	0	54	0.0	-79.68	405.62	8.83	-70.85
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556033	0	50	0.0	-90.17	391.20	10.90	-79.27
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556034	0	53	0.0	-86.05	406.75	10.49	-75.56
C=CCSCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556035	0	53	0.0	-75.49	442.47	9.65	-65.84
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556036	0	54	0.0	-74.21	408.57	10.49	-63.72
COC1(C(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C(=O)[O-])CCC1	REAL300012556037	0	56	0.0	-75.18	432.33	7.44	-67.74
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556039	0	49	0.0	-82.28	390.34	9.85	-72.43
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556040	0	51	0.0	-60.06	399.56	10.50	-49.56
CC1(C)CCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1C(=O)[O-]	REAL300012556041	0	55	0.0	-87.46	420.05	10.40	-77.06
CC(C)CCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556042	0	57	0.0	-77.18	444.68	9.90	-67.28
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556043	0	56	0.0	-59.89	431.73	11.19	-48.70
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556044	0	56	0.0	-77.96	439.39	7.90	-70.06
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300012556045	0	53	0.0	-82.09	426.80	10.93	-71.16
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCCC2CC21	REAL300012556046	0	56	0.0	-82.48	422.82	10.37	-72.11
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCC2CC21	REAL300012556047	0	53	0.0	-84.00	407.23	9.72	-74.28
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CC2(CCC2)C1	REAL300012556048	0	56	0.0	-82.15	428.92	10.17	-71.98
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCCC1	REAL300012556049	0	55	0.0	-79.91	428.17	9.49	-70.42
CO[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556050	0	52	0.0	-78.71	414.23	7.01	-71.70
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556051	0	52	0.0	-86.09	408.19	9.57	-76.52
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300012556052	0	55	0.0	-60.35	423.72	10.54	-49.81
O=C([O-])C1N(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCC1(F)F	REAL300012556053	0	49	0.0	-88.27	395.57	9.89	-78.38
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556054	0	56	0.0	-86.75	422.01	10.85	-75.90
COCCCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556055	0	55	0.0	-76.60	439.29	7.68	-68.92
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300012556056	0	54	0.0	-73.72	417.33	10.70	-63.02
CCOCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556057	0	52	0.0	-79.93	418.45	6.99	-72.94
CC(C)(C)CC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556058	0	57	0.0	-78.22	434.32	10.18	-68.04
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CCCCO1	REAL300012556059	0	56	0.0	-80.59	433.45	7.93	-72.66
C[C@H]1OCCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)[C@@H]1C(=O)[O-]	REAL300012556060	0	53	0.0	-87.87	406.64	9.33	-78.54
N#CCCC(NC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300012556061	0	49	0.0	-77.88	404.97	8.34	-69.54
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COC1=CC=C(C(NC(=O)NCCC2CC[NH+](C)CC2)C(=O)[O-])C=C1Cl	REAL300012556748	0	52	0.0	-76.55	419.77	7.57	-68.98
CC1=CC=CC(C(NC(=O)NCCC2CC[NH+](C)CC2)C(=O)[O-])=C1C	REAL300012556749	0	54	0.0	-77.16	403.68	8.80	-68.36
COC1=CC=C(C(NC(=O)NCCC2CC[NH+](C)CC2)C(=O)[O-])C=C1F	REAL300012556750	0	52	0.0	-76.99	409.73	7.17	-69.82
CC(C(=O)[O-])N(C(=O)NCCC1CC[NH+](C)CC1)C1CCC1	REAL300012556751	0	51	0.0	-66.08	370.11	8.62	-57.46
CCCN(C(=O)NCCC1CC[NH+](C)CC1)C(COC)C(=O)[O-]	REAL300012556752	0	54	0.0	-78.13	399.41	9.19	-68.94
CCCN(C(=O)NCCC1CC[NH+](C)CC1)C(CC)C(=O)[O-]	REAL300012556753	0	53	0.0	-76.09	385.61	9.84	-66.25
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C[NH+]1CCC(CCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012556755	0	46	0.0	-81.09	348.01	8.69	-72.40
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012556756	0	51	0.0	-78.01	367.61	7.86	-70.15
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C[NH+]1CCC(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012556758	0	51	0.0	-75.86	396.52	8.67	-67.19
C[NH+]1CCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012556759	0	51	0.0	-65.66	395.02	10.47	-55.19
C[NH+]1CCC(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012556760	0	48	0.0	-76.28	374.27	7.72	-68.56
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012556761	0	48	0.0	-77.54	374.22	7.73	-69.81
C[NH+]1CCC(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012556762	0	51	0.0	-75.86	396.52	8.67	-67.19
C[NH+]1CCC(CCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012556763	0	52	0.0	-84.80	386.39	10.87	-73.93
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012556764	0	45	0.0	-74.36	365.89	6.81	-67.55
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C[NH+]1CCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012556766	0	51	0.0	-61.12	411.67	11.00	-50.12
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COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCCC2CC[NH+](C)CC2)=C1	REAL300012556768	0	59	0.0	-68.87	447.96	8.79	-60.08
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300012556769	0	48	0.0	-73.53	395.52	8.36	-65.17
C[NH+]1CCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012556770	0	51	0.0	-61.23	401.35	10.54	-50.69
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012556771	0	52	0.0	-77.78	392.21	8.91	-68.87
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C[NH+]1CCC(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012556773	0	51	0.0	-76.67	382.06	8.50	-68.17
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C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012556781	0	52	0.0	-82.93	389.28	8.85	-74.08
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C[NH+]1CCC(CCNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012556783	0	51	0.0	-83.21	361.06	9.10	-74.11
C[NH+]1CCC(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012556784	0	54	0.0	-66.25	417.43	11.24	-55.01
C[NH+]1CCC(CCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012556785	0	51	0.0	-62.57	372.37	9.03	-53.54
CCCCCC(NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556786	0	53	0.0	-75.07	401.75	7.99	-67.08
CCC1CCC(NC(=O)NCCC2CC[NH+](C)CC2)(C(=O)[O-])CC1	REAL300012556787	0	57	0.0	-77.77	406.69	9.11	-68.66
C[NH+]1CCC(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012556788	0	52	0.0	-62.99	380.88	7.37	-55.62
CN(C(=O)NCCC1CC[NH+](C)CC1)C1(C(=O)[O-])CCCC1	REAL300012556789	0	51	0.0	-81.21	365.07	8.68	-72.53
CCC(C(=O)[O-])N(C(=O)NCCC1CC[NH+](C)CC1)C1CC1	REAL300012556790	0	51	0.0	-74.89	370.05	9.22	-65.67
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C[NH+]1CCC(CCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012556793	0	52	0.0	-67.74	389.07	10.15	-57.59
C[NH+]1CCC(CCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012556794	0	51	0.0	-80.45	411.24	8.92	-71.53
C[NH+]1CCC(CCNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012556795	0	57	0.0	-79.51	440.28	10.72	-68.79
C[NH+]1CCC(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012556796	0	57	0.0	-74.54	418.18	8.92	-65.62
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC1CC[NH+](C)CC1	REAL300012556797	0	54	0.0	-65.27	402.66	10.54	-54.73
CC1=CC=C(C(NC(=O)NCCC2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012556798	0	51	0.0	-77.73	395.63	8.41	-69.32
C[NH+]1CCC(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012556799	0	44	0.0	-70.14	354.02	6.35	-63.79
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012556800	0	54	0.0	-77.83	420.24	10.00	-67.83
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012556801	0	49	0.0	-73.98	365.31	7.56	-66.42
COCC(C)(NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556802	0	48	0.0	-79.97	360.47	5.31	-74.66
CCOCC(C(=O)[O-])N(C)C(=O)NCCC1CC[NH+](C)CC1	REAL300012556803	0	51	0.0	-73.17	379.68	7.03	-66.14
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC1CC[NH+](C)CC1	REAL300012556804	0	57	0.0	-63.51	423.09	11.81	-51.70
C[NH+]1CCC(CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012556805	0	47	0.0	-64.50	375.65	8.60	-55.90
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012556806	0	54	0.0	-76.46	391.83	7.86	-68.60
CN(C(=O)NCCC1CC[NH+](C)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012556807	0	55	0.0	-72.67	407.74	8.48	-64.19
C[NH+]1CCC(CCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012556808	0	55	0.0	-84.35	413.38	11.66	-72.69
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012556809	0	49	0.0	-78.64	359.03	5.37	-73.27
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CC[NH+](C)CC1	REAL300012556810	0	54	0.0	-58.62	404.37	11.50	-47.12
COC1=CC=C(C(NC(=O)NCCC2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012556811	0	52	0.0	-76.59	403.12	7.05	-69.54
CCC(COC)(NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556812	0	51	0.0	-81.38	377.15	6.22	-75.16
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC1CC[NH+](C)CC1	REAL300012556813	0	54	0.0	-73.07	401.00	7.89	-65.18
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012556814	0	51	0.0	-78.49	384.16	3.86	-74.63
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CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC1CC[NH+](C)CC1	REAL300012556816	0	53	0.0	-73.65	387.33	9.08	-64.57
C[NH+]1CCC(CCNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012556817	0	44	0.0	-74.62	350.44	5.95	-68.67
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC1CC[NH+](C)CC1	REAL300012556818	0	54	0.0	-84.39	388.62	10.08	-74.31
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CC[NH+](C)CC1	REAL300012556819	0	54	0.0	-79.92	405.97	11.33	-68.59
CCC(NC(=O)NCCC1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012556820	0	54	0.0	-75.39	415.69	9.89	-65.50
CCC(NC(=O)NCCC1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012556821	0	54	0.0	-77.48	399.02	9.40	-68.08
COC1CCCC(C(NC(=O)NCCC2CC[NH+](C)CC2)C(=O)[O-])C1	REAL300012556822	0	58	0.0	-79.14	427.29	7.13	-72.01
COC1(CC(NC(=O)NCCC2CC[NH+](C)CC2)C(=O)[O-])CCC1	REAL300012556823	0	55	0.0	-77.70	408.49	7.02	-70.68
C[NH+]1CCC(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012556824	0	52	0.0	-62.99	380.88	7.37	-55.62
C[NH+]1CCC(CCNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012556825	0	54	0.0	-63.03	389.74	9.74	-53.29
C[C@H]1CC[C@@](NC(=O)NCCC2CC[NH+](C)CC2)(C(=O)[O-])CC1	REAL300012556826	0	54	0.0	-78.17	381.41	8.25	-69.92
COC1=CC=CC(C(NC(=O)NCCC2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012556827	0	52	0.0	-79.65	403.75	7.02	-72.63
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300012556828	0	48	0.0	-76.11	389.17	8.29	-67.82
C[NH+]1CCC(CCNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012556829	0	47	0.0	-72.71	348.82	6.17	-66.54
C[NH+]1CCC(CCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012556830	0	49	0.0	-67.64	371.61	8.34	-59.30
C[NH+]1CCC(CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012556831	0	45	0.0	-74.54	352.01	7.31	-67.23
COC1=CC=CC([C@H](NC(=O)NCCC2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012556832	0	52	0.0	-79.69	403.76	7.01	-72.68
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC2CC[NH+](C)CC2)C1	REAL300012556833	0	54	0.0	-82.66	402.88	9.45	-73.21
COC1=CC=CC(CC(NC(=O)NCCC2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012556834	0	55	0.0	-78.89	425.97	7.97	-70.92
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012556835	0	57	0.0	-78.98	395.54	8.73	-70.25
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C[NH+]1CCC(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012556837	0	53	0.0	-74.18	410.27	9.18	-65.00
COC1CN(C(=O)NCCC2CC[NH+](C)CC2)C(C)(C(=O)[O-])C1	REAL300012556838	0	52	0.0	-79.82	387.22	7.10	-72.72
C[NH+]1CCC(CCNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012556839	0	55	0.0	-75.05	405.26	7.16	-67.89
C=C(Cl)CC(NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556840	0	45	0.0	-75.45	366.53	6.73	-68.72
C[NH+]1CCC(CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012556841	0	49	0.0	-87.98	358.64	9.01	-78.97
C[NH+]1CCC(CCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012556842	0	54	0.0	-75.92	406.07	8.92	-67.00
C[NH+]1CCC(CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012556843	0	45	0.0	-74.72	349.81	7.74	-66.98
C[NH+]1CCC(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012556844	0	45	0.0	-79.23	343.35	7.66	-71.57
C[NH+]1CCC(CCNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012556845	0	55	0.0	-76.76	409.31	6.53	-70.23
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012556846	0	52	0.0	-76.72	388.12	5.70	-71.02
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012556847	0	48	0.0	-77.54	374.22	7.73	-69.81
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300012556848	0	51	0.0	-75.74	412.73	8.80	-66.94
C[NH+]1CCC(CCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012556849	0	47	0.0	-74.09	382.22	5.85	-68.24
CC(C)CCCC(NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556850	0	56	0.0	-75.60	420.15	8.50	-67.10
C[NH+]1CCC(CCNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012556851	0	54	0.0	-74.31	426.15	9.13	-65.18
C[NH+]1CCC(CCNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012556852	0	52	0.0	-78.80	394.28	6.04	-72.76
CSCC(NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556853	0	45	0.0	-73.45	361.56	6.08	-67.37
C[NH+]1CCC(CCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012556854	0	51	0.0	-73.19	402.69	8.80	-64.39
CCC(C)CC(NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556855	0	53	0.0	-75.57	394.19	7.62	-67.95
C=CCCCC(NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556856	0	51	0.0	-75.29	393.90	7.77	-67.52
C[NH+]1CCC(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012556857	0	51	0.0	-74.37	402.04	8.75	-65.62
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012556858	0	54	0.0	-81.67	414.98	9.88	-71.79
C[NH+]1CCC(CCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012556859	0	46	0.0	-81.09	348.01	8.69	-72.40
C[NH+]1CCC(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012556860	0	51	0.0	-76.67	382.06	8.50	-68.17
C[NH+]1CCC(CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012556861	0	49	0.0	-86.75	358.16	9.12	-77.63
C[NH+]1CCC(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012556862	0	44	0.0	-69.59	350.64	7.98	-61.61
C[NH+]1CCC(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012556863	0	44	0.0	-69.59	350.64	7.98	-61.61
C[NH+]1CCC(CCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012556864	0	57	0.0	-63.88	417.99	5.55	-58.33
CN1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CC[NH+](C)CC2)CC1	REAL300012556865	1	61	0.0	-63.39	444.34	5.58	-57.81
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC1CC[NH+](C)CC1	REAL300012556866	0	52	0.0	-65.11	392.69	10.50	-54.61
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCC2CC[NH+](C)CC2)[C@H]1C(=O)[O-]	REAL300012556867	0	55	0.0	-67.72	401.15	10.80	-56.92
C[NH+]1CCC(CCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012556868	0	53	0.0	-75.01	394.05	8.88	-66.13
C[NH+]1CCC(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012556869	0	48	0.0	-76.28	374.27	7.72	-68.56
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012556870	0	51	0.0	-72.50	412.36	8.76	-63.74
C[NH+]1CCC(CCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012556871	0	53	0.0	-75.74	414.38	7.67	-68.07
C[NH+]1CCC(CCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012556872	0	47	0.0	-76.65	382.79	5.73	-70.92
C[NH+]1CCC(CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012556873	0	48	0.0	-71.94	402.56	7.48	-64.46
C[NH+]1CCC(CCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012556874	0	48	0.0	-88.12	367.35	5.12	-83.00
CN1CC(C(=O)[O-])N(C(=O)NCCC2CC[NH+](C)CC2)CC1=O	REAL300012556875	0	49	0.0	-75.86	365.11	6.82	-69.04
C[NH+]1CCC(CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012556876	0	48	0.0	-77.06	373.62	7.75	-69.31
C[NH+]1CCC(CCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012556877	0	51	0.0	-77.58	387.94	7.11	-70.47
C[NH+]1CCC(CCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012556878	0	51	0.0	-62.57	372.37	9.03	-53.54
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012556879	0	49	0.0	-85.14	369.76	3.55	-81.59
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556880	0	57	0.0	-78.06	421.36	6.94	-71.12
CC1CCC(NC(=O)NCCC2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012556881	0	51	0.0	-78.25	374.16	7.39	-70.86
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012556882	0	54	0.0	-78.53	383.63	8.12	-70.41
COCCC(NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556883	0	48	0.0	-75.24	370.93	4.73	-70.51
CN(C(=O)NCCC1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012556884	0	54	0.0	-72.88	405.59	10.69	-62.19
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C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012556891	0	52	0.0	-83.79	406.17	7.80	-75.99
C[NH+]1CCC(CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012556892	0	47	0.0	-81.60	351.48	6.38	-75.22
CC1CCC(C(=O)[O-])N(C(=O)NCCC2CC[NH+](C)CC2)C1	REAL300012556893	0	51	0.0	-84.33	369.21	9.45	-74.88
CC(C1=CC=CC=C1)C(NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556894	0	54	0.0	-75.53	413.25	9.08	-66.45
C[NH+]1CCC(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012556895	0	55	0.0	-75.96	410.57	8.86	-67.10
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012556896	0	61	0.0	-78.50	431.35	8.42	-70.08
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012556897	0	54	0.0	-76.46	391.83	7.86	-68.60
C[NH+]1CCC(CCNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012556898	0	55	0.0	-74.34	410.33	7.38	-66.96
C[NH+]1CCC(CCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012556899	0	55	0.0	-59.94	387.97	9.48	-50.46
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012556900	0	55	0.0	-77.66	388.13	6.67	-70.99
C[NH+]1CCC(CCNC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012556901	0	54	0.0	-76.72	434.70	9.94	-66.78
CC1=CC=CC2=C1CCN(C(=O)NCCC1CC[NH+](C)CC1)C2C(=O)[O-]	REAL300012556902	0	55	0.0	-69.43	406.60	10.70	-58.73
C[NH+]1CCC(CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012556903	0	49	0.0	-62.74	359.61	8.60	-54.14
C[NH+]1CCC(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012556904	0	55	0.0	-75.96	410.57	8.86	-67.10
C[NH+]1CCC(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012556905	0	51	0.0	-73.59	402.04	8.75	-64.84
COC1CC(NC(=O)NCCC2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012556906	0	49	0.0	-76.41	370.83	5.23	-71.18
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012556907	0	45	0.0	-76.62	347.65	6.39	-70.23
CO[C@H]1C[C@](NC(=O)NCCC2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012556908	0	49	0.0	-75.17	370.79	5.23	-69.94
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012556909	0	48	0.0	-76.25	378.21	7.41	-68.84
CCC1(C(=O)[O-])CCCN1C(=O)NCCC1CC[NH+](C)CC1	REAL300012556910	0	51	0.0	-84.03	367.14	9.34	-74.69
C[NH+]1CCC(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012556911	0	44	0.0	-70.14	354.02	6.35	-63.79
C[NH+]1CCC(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012556912	0	52	0.0	-73.32	387.29	5.39	-67.93
C[NH+]1CCC(CCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012556913	0	48	0.0	-76.86	388.40	7.72	-69.14
COCC(NC(=O)NCCC1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012556914	0	55	0.0	-76.26	415.23	7.73	-68.53
C[NH+]1CCC(CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012556915	0	49	0.0	-82.68	360.29	8.14	-74.54
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CC[NH+](C)CC1	REAL300012556916	0	54	0.0	-79.92	405.97	11.33	-68.59
C[NH+]1CCC(CCNC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300012556917	0	55	0.0	-79.31	434.88	8.26	-71.05
C[NH+]1CCC(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012556918	0	57	0.0	-74.54	418.18	8.92	-65.62
C[NH+]1CCC(CCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012556919	0	54	0.0	-76.24	418.66	9.45	-66.79
C[NH+]1CCC(CCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012556920	0	54	0.0	-74.88	419.26	9.50	-65.38
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012556921	0	55	0.0	-76.96	400.38	8.30	-68.66
C[NH+]1CCC(CCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012556922	0	57	0.0	-74.94	418.47	8.86	-66.08
C[NH+]1CCC(CCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012556923	0	57	0.0	-76.55	418.43	8.86	-67.69
C[NH+]1CCC(CCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012556924	0	55	0.0	-64.34	399.51	9.48	-54.86
C[NH+]1CCC(CCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012556925	0	55	0.0	-84.01	394.60	9.35	-74.66
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300012556926	0	55	0.0	-80.61	437.98	8.30	-72.31
COC1=CC=C(CC(NC(=O)NCCC2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012556927	0	55	0.0	-76.36	425.13	7.98	-68.38
C=CCSCC(NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556928	0	49	0.0	-73.54	395.83	7.53	-66.01
C[NH+]1CCC(CCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012556929	0	52	0.0	-75.26	416.46	9.07	-66.19
C[NH+]1CCC(CCNC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300012556930	0	55	0.0	-88.20	435.92	8.72	-79.48
COC1(C(NC(=O)NCCC2CC[NH+](C)CC2)C(=O)[O-])CCC1	REAL300012556931	0	52	0.0	-73.20	385.71	5.32	-67.88
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012556932	0	54	0.0	-78.12	400.01	8.70	-69.42
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012556933	0	55	0.0	-79.00	405.57	9.79	-69.21
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012556934	0	48	0.0	-83.00	371.05	7.20	-75.80
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300012556936	0	60	0.0	-75.65	450.24	10.13	-65.52
CC(C)C1=CC=C(C(NC(=O)NCCC2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012556937	0	57	0.0	-75.84	434.50	9.66	-66.18
C[NH+]1CCC(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012556938	0	45	0.0	-79.23	343.35	7.66	-71.57
C[NH+]1CCC(CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012556939	0	47	0.0	-64.37	352.94	8.38	-55.99
C[NH+]1CCC(CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012556940	0	51	0.0	-82.86	369.17	8.52	-74.34
CCOC1=CC=C(C(NC(=O)NCCC2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012556941	0	55	0.0	-76.77	425.57	7.96	-68.81
C[NH+]1CCC(CCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012556942	0	55	0.0	-84.25	393.50	10.41	-73.84
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012556943	0	55	0.0	-77.57	415.72	10.18	-67.39
C[NH+]1CCC(CCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012556944	0	55	0.0	-81.84	416.69	8.77	-73.07
C[NH+]1CCC(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012556945	0	51	0.0	-79.24	410.49	8.66	-70.58
CC(C)CCC(NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556946	0	53	0.0	-75.27	397.82	7.73	-67.54
C[NH+]1CCC(CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012556947	0	52	0.0	-62.06	383.73	9.05	-53.01
C[NH+]1CCC(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012556948	0	52	0.0	-73.32	387.29	5.39	-67.93
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC2CC[NH+](C)CC2)C1	REAL300012556949	0	49	0.0	-78.03	380.14	8.76	-69.27
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012556950	0	52	0.0	-77.86	376.16	8.25	-69.61
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012556951	0	49	0.0	-81.28	360.59	7.59	-73.69
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012556952	0	52	0.0	-79.73	381.74	8.00	-71.73
CN(C(=O)NCCC1CC[NH+](C)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012556953	0	54	0.0	-73.68	407.05	10.63	-63.05
C[NH+]1CCC(CCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012556954	0	58	0.0	-65.03	415.27	9.95	-55.08
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012556955	0	51	0.0	-75.64	374.30	7.18	-68.46
CO[C@H](C)[C@H](NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556956	0	48	0.0	-77.21	368.09	4.90	-72.31
C[NH+]1CCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012556957	0	51	0.0	-65.66	395.02	10.47	-55.19
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300012556958	0	58	0.0	-77.70	448.41	11.14	-66.56
C[NH+]1CCC(CCNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012556959	0	51	0.0	-62.01	376.71	8.36	-53.65
C[NH+]1CCC(CCNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012556960	0	52	0.0	-62.51	400.72	10.25	-52.26
C[NH+]1CCC(CCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012556961	0	48	0.0	-80.52	359.05	8.73	-71.79
C[NH+]1CCC(CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012556962	0	45	0.0	-84.38	348.51	7.70	-76.68
C[NH+]1CCC(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012556963	0	51	0.0	-73.59	402.04	8.75	-64.84
C[NH+]1CCC(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012556964	0	48	0.0	-74.36	387.35	7.60	-66.76
C[NH+]1CCC(CCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012556965	0	48	0.0	-74.26	366.03	8.24	-66.02
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012556966	0	52	0.0	-78.66	401.26	8.40	-70.26
C[NH+]1CCC(CCNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300012556967	0	56	0.0	-80.82	424.06	9.99	-70.83
C[NH+]1CCC(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012556968	0	48	0.0	-74.36	387.35	7.60	-66.76
C[NH+]1CCC(CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012556969	0	52	0.0	-83.02	374.48	8.71	-74.31
COCCCC(NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556970	0	51	0.0	-75.21	393.26	5.50	-69.71
CCOCC(NC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012556971	0	48	0.0	-77.81	371.80	4.86	-72.95
C[NH+]1CCC(CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012556972	0	53	0.0	-74.37	388.68	8.11	-66.26
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012556973	0	52	0.0	-78.99	389.34	6.21	-72.78
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300012556974	0	48	0.0	-75.74	395.52	8.35	-67.39
C[NH+]1CCC(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012556975	0	52	0.0	-77.78	392.21	8.91	-68.87
C[C@H]1OCCN(C(=O)NCCC2CC[NH+](C)CC2)[C@@H]1C(=O)[O-]	REAL300012556976	0	49	0.0	-82.93	359.55	7.14	-75.79
C[NH+]1CCC(CCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012556977	0	51	0.0	-72.76	379.51	8.56	-64.20
C[NH+]1CCC(CCNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300012556978	0	62	0.0	-81.03	430.63	9.76	-71.27
C[NH+]1CCC(CCNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012556979	0	54	0.0	-78.70	426.19	8.98	-69.72
C[NH+]1CCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012556980	0	48	0.0	-64.89	371.08	8.36	-56.53
C[NH+]1CCC(CCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012556981	0	59	0.0	-82.65	410.11	9.14	-73.51
C[NH+]1CCC(CCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012556982	0	50	0.0	-76.27	408.34	7.32	-68.95
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC2CC[NH+](C)CC2)C1	REAL300012556983	0	52	0.0	-82.53	392.69	7.23	-75.30
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCN(CC(F)(F)F)C2)CC1	REAL300012557162	0	55	0.0	-60.63	420.13	4.45	-56.18
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2=CC=CC(Cl)=C2)CC1	REAL300012557740	0	56	0.0	-60.14	445.70	9.24	-50.90
CC(C)C[C@H](NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012557945	0	55	0.0	-74.63	427.82	6.78	-67.85
C=CCOCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012557946	0	54	0.0	-74.57	435.26	5.25	-69.32
C=CC(C)C(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012557947	0	53	0.0	-58.50	419.14	6.64	-51.86
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012557948	0	57	0.0	-75.15	439.15	5.52	-69.63
COC1CCN(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)C(C(=O)[O-])C1	REAL300012557949	0	57	0.0	-77.82	429.79	7.82	-70.00
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012557950	0	57	0.0	-59.37	433.60	5.29	-54.08
CC1CCN(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)C(C(=O)[O-])C1	REAL300012557951	0	56	0.0	-78.08	419.17	9.03	-69.05
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012557952	0	52	0.0	-63.46	408.56	8.04	-55.42
CC(C(=O)[O-])N(C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C1CCC1	REAL300012557953	0	56	0.0	-62.55	420.28	8.34	-54.21
CCCN(C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(COC)C(=O)[O-]	REAL300012557954	0	59	0.0	-64.78	451.11	8.92	-55.86
CCCN(C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(CC)C(=O)[O-]	REAL300012557955	0	58	0.0	-73.09	434.29	9.06	-64.03
CC(C)C(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012557956	0	52	0.0	-74.26	406.17	6.05	-68.21
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012557957	0	53	0.0	-78.85	399.41	8.63	-70.22
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012557958	0	51	0.0	-75.88	398.63	8.41	-67.47
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012557959	0	56	0.0	-64.71	418.65	7.69	-57.02
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012557960	0	50	0.0	-79.23	387.89	7.40	-71.83
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012557961	0	53	0.0	-65.06	404.14	6.59	-58.47
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012557962	0	59	0.0	-65.27	424.31	8.36	-56.91
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012557963	0	56	0.0	-61.17	447.32	8.56	-52.61
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012557964	0	56	0.0	-63.71	446.06	10.29	-53.42
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC(=O)[O-])CC1	REAL300012557965	0	43	0.0	-57.25	346.51	3.62	-53.63
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012557966	0	53	0.0	-62.48	425.31	7.55	-54.93
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012557967	0	53	0.0	-61.82	425.06	7.63	-54.19
CCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012557968	0	49	0.0	-73.00	388.30	5.49	-67.51
CC(C)C(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012557969	0	52	0.0	-74.26	406.17	6.05	-68.21
CN(CC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012557970	0	46	0.0	-59.71	365.25	6.32	-53.39
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012557971	0	56	0.0	-61.17	447.32	8.56	-52.61
CC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012557972	0	46	0.0	-55.91	367.62	4.42	-51.49
CCC(C)C(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012557973	0	55	0.0	-60.13	419.07	6.51	-53.62
CN(CC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012557974	0	46	0.0	-59.71	365.25	6.32	-53.39
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012557975	0	53	0.0	-78.85	399.41	8.63	-70.22
CCCC(C)(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012557976	0	55	0.0	-74.18	414.76	6.61	-67.57
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012557977	0	52	0.0	-61.61	392.03	8.30	-53.31
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012557978	0	50	0.0	-59.30	392.05	7.68	-51.62
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012557979	0	50	0.0	-63.16	399.87	7.85	-55.31
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012557980	0	55	0.0	-63.92	423.21	8.56	-55.36
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012557981	0	49	0.0	-56.58	379.88	4.86	-51.72
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012557982	0	53	0.0	-62.77	402.76	6.61	-56.16
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012557983	0	50	0.0	-70.70	416.29	6.66	-64.04
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012557984	0	56	0.0	-64.71	418.65	7.69	-57.02
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012557985	0	52	0.0	-61.61	392.03	8.30	-53.31
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012557986	0	52	0.0	-63.46	408.56	8.04	-55.42
CCN(CC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012557987	0	49	0.0	-59.69	387.06	7.30	-52.39
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012557988	0	55	0.0	-73.48	418.71	6.41	-67.07
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012557989	0	53	0.0	-65.06	404.14	6.59	-58.47
CCC(C)(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012557990	0	52	0.0	-61.30	393.27	5.85	-55.45
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012557991	0	56	0.0	-64.11	433.03	8.36	-55.75
C[C@H](NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012557992	0	46	0.0	-60.35	367.14	4.48	-55.87
CCN(CC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012557993	0	49	0.0	-59.69	387.06	7.30	-52.39
C[C@@H](NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012557994	0	46	0.0	-55.49	367.30	4.46	-51.03
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012557995	0	47	0.0	-77.31	373.44	5.68	-71.63
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012557996	0	51	0.0	-74.62	390.15	5.98	-68.64
CN(C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C1(C(=O)[O-])CCCCC1	REAL300012557997	0	59	0.0	-65.02	427.80	9.08	-55.94
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012557998	0	50	0.0	-72.65	396.04	5.96	-66.69
CN(C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012557999	0	56	0.0	-58.91	432.73	9.19	-49.72
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558000	0	53	0.0	-64.13	418.44	6.47	-57.66
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012558001	0	50	0.0	-68.37	386.39	7.12	-61.25
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012558002	0	53	0.0	-77.21	398.15	8.41	-68.80
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558003	0	49	0.0	-57.16	380.16	6.54	-50.62
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012558004	0	50	0.0	-79.33	387.87	7.40	-71.93
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012558005	0	50	0.0	-67.15	390.26	6.20	-60.95
C=CCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558006	0	50	0.0	-60.09	402.41	5.93	-54.16
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012558007	0	53	0.0	-80.89	404.96	7.94	-72.95
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012558008	0	56	0.0	-82.19	411.96	9.08	-73.11
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012558009	0	50	0.0	-72.65	396.04	5.96	-66.69
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558010	0	49	0.0	-68.49	379.22	6.54	-61.95
CCCCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558011	0	55	0.0	-60.26	432.13	7.02	-53.24
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012558012	0	53	0.0	-80.98	404.94	7.94	-73.04
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012558013	0	56	0.0	-63.52	423.39	8.86	-54.66
COCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558014	0	50	0.0	-61.38	400.99	3.72	-57.66
CCCCCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558015	0	58	0.0	-73.73	452.79	7.82	-65.91
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012558016	0	57	0.0	-64.06	431.84	7.19	-56.87
CN(C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C1(C(=O)[O-])CCCC1	REAL300012558017	0	56	0.0	-82.93	414.24	8.27	-74.66
CC(C(=O)[O-])N(C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C1CC1	REAL300012558018	0	53	0.0	-63.35	404.85	7.82	-55.53
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C1CC1	REAL300012558019	0	56	0.0	-66.24	421.99	9.01	-57.23
CC1=CC=C(C(NC(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012558020	0	56	0.0	-62.14	446.45	8.31	-53.83
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012558021	0	49	0.0	-56.32	405.07	6.16	-50.16
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012558022	0	54	0.0	-74.64	416.30	7.38	-67.26
COCC(C)(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558023	0	53	0.0	-65.56	411.51	5.14	-60.42
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558024	0	56	0.0	-70.43	430.43	6.85	-63.58
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558025	0	55	0.0	-63.92	423.21	8.56	-55.36
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012558026	0	50	0.0	-59.30	392.05	7.68	-51.62
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012558027	0	51	0.0	-71.61	394.77	3.98	-67.63
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012558028	0	59	0.0	-61.79	442.86	7.68	-54.11
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012558029	0	54	0.0	-64.02	410.07	5.19	-58.83
C=CCCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558030	0	53	0.0	-72.62	423.44	6.81	-65.81
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012558031	0	46	0.0	-57.43	370.75	4.49	-52.94
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558032	0	49	0.0	-68.49	379.22	6.54	-61.95
CCC(CC)(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558033	0	55	0.0	-76.10	409.94	6.74	-69.36
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558034	0	55	0.0	-62.92	420.05	8.86	-54.06
CCC(COC)(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558035	0	56	0.0	-66.55	427.95	6.05	-60.50
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558036	0	59	0.0	-58.61	451.78	7.54	-51.07
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012558037	0	53	0.0	-73.92	420.73	7.02	-66.90
COCCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558038	0	53	0.0	-74.13	421.97	4.55	-69.58
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558039	0	58	0.0	-57.16	439.81	8.97	-48.19
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012558040	0	49	0.0	-55.75	399.50	6.06	-49.69
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558041	0	59	0.0	-65.08	440.29	9.56	-55.52
CCCN(C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012558042	0	55	0.0	-58.59	418.15	7.98	-50.61
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012558043	0	49	0.0	-71.90	394.89	5.63	-66.27
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012558044	0	57	0.0	-64.06	431.84	7.19	-56.87
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012558045	0	59	0.0	-63.90	440.78	9.56	-54.34
C[C@H]1CC[C@@](NC(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)(C(=O)[O-])CC1	REAL300012558046	0	59	0.0	-80.81	432.43	8.07	-72.74
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012558047	0	52	0.0	-70.87	399.86	5.98	-64.89
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012558048	0	54	0.0	-64.93	421.62	8.01	-56.92
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012558049	0	50	0.0	-62.38	402.94	7.14	-55.24
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558050	0	49	0.0	-68.50	379.09	6.48	-62.02
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012558051	0	51	0.0	-77.91	390.79	8.24	-69.67
COC1CN(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)C(C)(C(=O)[O-])C1	REAL300012558052	0	57	0.0	-65.06	437.80	6.97	-58.09
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012558053	0	55	0.0	-75.26	419.92	6.59	-68.67
C=C(Cl)CC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558054	0	50	0.0	-56.52	417.36	6.66	-49.86
C=C(C)CC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558055	0	53	0.0	-74.64	421.89	6.68	-67.96
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012558056	0	54	0.0	-81.53	409.36	8.83	-72.70
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012558057	0	50	0.0	-70.79	400.82	7.57	-63.22
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012558058	0	50	0.0	-78.43	394.38	7.48	-70.95
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)C1	REAL300012558059	0	51	0.0	-79.34	402.09	7.45	-71.89
CC(C)C[C@H](NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558060	0	55	0.0	-74.63	427.82	6.78	-67.85
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012558061	0	57	0.0	-75.15	439.15	5.52	-69.63
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012558062	0	53	0.0	-61.82	425.06	7.63	-54.19
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012558063	0	53	0.0	-73.92	420.73	7.02	-66.90
CC(C)CCCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558064	0	61	0.0	-74.40	471.19	8.31	-66.09
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012558065	0	57	0.0	-65.07	445.31	5.86	-59.21
CSCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558066	0	50	0.0	-58.33	412.59	5.90	-52.43
COC[C@H](NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558067	0	50	0.0	-74.73	400.50	3.70	-71.03
CC[C@H](NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558068	0	49	0.0	-73.31	389.12	5.47	-67.84
CCC(C)CC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558069	0	58	0.0	-74.82	445.23	7.45	-67.37
C=CCCCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558070	0	56	0.0	-59.73	444.70	7.65	-52.08
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012558071	0	51	0.0	-75.88	398.63	8.41	-67.47
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012558072	0	56	0.0	-64.11	433.03	8.36	-55.75
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012558073	0	50	0.0	-68.37	386.39	7.12	-61.25
CCCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558074	0	52	0.0	-73.63	410.63	6.25	-67.38
CC(C)[C@@H](NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558075	0	52	0.0	-60.52	401.24	5.81	-54.71
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012558076	0	54	0.0	-82.68	409.76	9.00	-73.68
CCN(C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(C)(C)C(=O)[O-]	REAL300012558077	0	55	0.0	-64.17	413.84	8.24	-55.93
CCCN(C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012558078	0	55	0.0	-58.59	418.15	7.98	-50.61
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012558079	0	49	0.0	-57.19	401.67	7.79	-49.40
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012558080	0	49	0.0	-57.19	401.67	7.79	-49.40
CN(C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(C)(C)C(=O)[O-]	REAL300012558081	0	52	0.0	-64.09	394.25	7.38	-56.71
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012558082	0	50	0.0	-79.33	387.87	7.40	-71.93
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012558083	0	51	0.0	-69.62	399.89	3.69	-65.93
CCC[C@@H](NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558084	0	52	0.0	-59.74	410.39	6.31	-53.43
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012558085	0	53	0.0	-62.48	425.31	7.55	-54.93
C=CCCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558086	0	53	0.0	-72.62	423.44	6.81	-65.81
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)CC1=O	REAL300012558087	0	54	0.0	-68.83	414.97	6.61	-62.22
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012558088	0	53	0.0	-66.33	404.97	7.95	-58.38
CC(C)[C@H](NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558089	0	52	0.0	-74.26	406.17	6.05	-68.21
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012558090	0	53	0.0	-72.72	425.26	7.55	-65.17
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558091	0	49	0.0	-68.50	379.09	6.48	-62.02
CCC[C@H](NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558092	0	52	0.0	-73.63	410.63	6.25	-67.38
CCN(C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012558093	0	52	0.0	-57.20	396.84	7.32	-49.88
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012558094	0	56	0.0	-63.52	423.39	8.86	-54.66
CC(CN(C)C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558095	0	52	0.0	-67.11	399.48	6.96	-60.15
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558096	0	55	0.0	-73.48	418.71	6.41	-67.07
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558097	0	52	0.0	-70.18	399.55	7.47	-62.71
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012558098	0	54	0.0	-67.86	422.51	3.47	-64.39
CC1CCC(NC(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012558099	0	56	0.0	-65.62	425.20	7.21	-58.41
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012558100	0	59	0.0	-79.70	434.65	7.95	-71.75
COCCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558101	0	53	0.0	-74.13	421.97	4.55	-69.58
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012558102	0	56	0.0	-67.33	426.67	7.90	-59.43
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012558103	0	53	0.0	-61.07	410.59	6.82	-54.25
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012558104	0	51	0.0	-71.95	398.59	3.88	-68.07
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012558105	0	54	0.0	-59.06	416.37	4.42	-54.64
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012558106	0	54	0.0	-84.10	409.98	8.53	-75.57
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012558107	0	52	0.0	-75.29	401.87	6.30	-68.99
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)C1	REAL300012558108	0	56	0.0	-79.49	419.86	9.34	-70.15
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012558109	0	53	0.0	-61.12	409.26	6.36	-54.76
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012558110	0	59	0.0	-61.79	442.86	7.68	-54.11
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012558111	0	53	0.0	-61.12	409.26	6.36	-54.76
CC1CCN(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)C1C(=O)[O-]	REAL300012558112	0	53	0.0	-67.85	404.06	7.56	-60.29
C=CCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558113	0	50	0.0	-60.09	402.41	5.93	-54.16
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012558114	0	54	0.0	-63.42	411.32	8.38	-55.04
COC1CC(NC(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012558115	0	54	0.0	-69.23	423.61	5.15	-64.08
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012558116	0	50	0.0	-65.46	398.68	6.22	-59.24
CO[C@H]1C[C@](NC(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012558117	0	54	0.0	-73.22	421.88	5.06	-68.16
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558118	0	56	0.0	-65.04	418.84	8.84	-56.20
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012558119	0	49	0.0	-56.32	405.07	6.16	-50.16
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012558120	0	57	0.0	-61.95	442.69	5.56	-56.39
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012558121	0	48	0.0	-62.01	381.08	3.23	-58.78
CC(C)C(C)(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558122	0	55	0.0	-62.22	410.00	6.54	-55.68
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012558123	0	51	0.0	-74.16	394.84	8.55	-65.61
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012558124	0	54	0.0	-68.57	411.33	8.17	-60.40
C=CCSCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558125	0	54	0.0	-69.62	446.87	7.35	-62.27
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558126	0	55	0.0	-57.53	413.84	8.28	-49.25
COC1(C(NC(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)C(=O)[O-])CCC1	REAL300012558127	0	57	0.0	-70.16	436.31	5.18	-64.98
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012558128	0	53	0.0	-70.43	422.25	7.04	-63.39
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012558130	0	50	0.0	-78.43	394.38	7.48	-70.95
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012558131	0	52	0.0	-63.83	403.97	8.20	-55.63
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012558132	0	56	0.0	-81.03	420.21	8.34	-72.69
CC(C)CCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558133	0	58	0.0	-74.07	448.86	7.54	-66.53
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012558134	0	57	0.0	-60.52	422.24	8.12	-52.40
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012558135	0	57	0.0	-61.95	442.69	5.56	-56.39
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)C1	REAL300012558136	0	54	0.0	-76.05	428.73	8.59	-67.46
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012558137	0	57	0.0	-82.67	424.47	8.34	-74.33
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012558138	0	54	0.0	-81.27	411.62	7.42	-73.85
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012558139	0	57	0.0	-65.37	432.88	7.81	-57.56
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012558140	0	56	0.0	-60.20	425.29	7.06	-53.14
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558141	0	53	0.0	-75.04	418.65	4.72	-70.32
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558142	0	53	0.0	-75.81	403.20	6.72	-69.09
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012558143	0	56	0.0	-63.71	446.06	10.29	-53.42
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012558144	0	56	0.0	-65.35	429.74	8.00	-57.35
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012558145	0	53	0.0	-75.56	409.69	8.49	-67.07
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012558146	0	50	0.0	-69.61	400.45	7.20	-62.41
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012558147	0	53	0.0	-71.16	417.08	8.05	-63.11
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012558148	0	57	0.0	-69.19	426.82	8.75	-60.44
COCCCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558149	0	56	0.0	-60.52	444.30	5.31	-55.21
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558150	0	55	0.0	-57.45	422.10	8.39	-49.06
CCOCC(NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012558151	0	53	0.0	-75.27	422.84	4.70	-70.57
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012558152	0	58	0.0	-76.27	439.86	7.87	-68.40
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012558153	0	57	0.0	-77.83	439.88	6.02	-71.81
C[C@H]1OCCN(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)[C@@H]1C(=O)[O-]	REAL300012558154	0	54	0.0	-77.07	410.84	6.97	-70.10
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012558155	0	50	0.0	-75.41	409.98	5.99	-69.42
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012558156	0	53	0.0	-64.07	427.72	8.43	-55.64
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300012558157	0	49	0.0	-57.16	380.16	6.54	-50.62
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)C1	REAL300012558158	0	57	0.0	-74.69	439.97	7.49	-67.20
CC1=CC=C(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558159	0	57	0.0	-65.35	433.09	9.99	-55.36
C=CCOCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558160	0	56	0.0	-69.51	439.46	8.33	-61.18
C=CC(C)C(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558161	0	55	0.0	-66.04	418.13	9.47	-56.57
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+]2CCCC2)C=C1	REAL300012558162	0	59	0.0	-68.21	442.57	8.72	-59.49
COC1CCN(C(=O)NCC(C2=CC=C(C)C=C2)[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012558163	0	59	0.0	-74.03	434.35	10.67	-63.36
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)[NH+]2CCCC2)C=C1	REAL300012558164	0	59	0.0	-65.09	437.80	8.36	-56.73
CC1=CC=C(C(CNC(=O)N2CCC(C)CC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558165	0	58	0.0	-74.41	425.20	12.47	-61.94
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1	REAL300012558166	0	54	0.0	-57.63	412.73	11.11	-46.52
CC1=CC=C(C(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)[NH+]2CCCC2)C=C1	REAL300012558167	0	58	0.0	-57.26	425.82	11.42	-45.84
CCCN(C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(COC)C(=O)[O-]	REAL300012558168	0	61	0.0	-67.31	455.90	12.05	-55.26
CCCN(C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(CC)C(=O)[O-]	REAL300012558169	0	60	0.0	-51.04	436.08	12.76	-38.28
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300012558170	0	54	0.0	-68.83	406.01	8.87	-59.96
CC1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558171	0	55	0.0	-74.17	404.29	11.84	-62.33
CC1=CC=C(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558172	0	53	0.0	-71.20	404.00	11.56	-59.64
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+]2CCCC2)C=C1	REAL300012558173	0	58	0.0	-73.48	409.15	10.23	-63.25
CC1=CC=C(C(CNC(=O)N2CCCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558174	0	52	0.0	-73.05	393.14	10.55	-62.50
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)C=C1	REAL300012558175	0	55	0.0	-67.66	408.93	9.73	-57.93
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)[NH+]2CCCC2)C=C1	REAL300012558176	0	61	0.0	-74.89	414.81	10.91	-63.98
CC1=CC=C(C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558177	0	58	0.0	-67.02	451.75	11.56	-55.46
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012558178	0	58	0.0	-57.72	450.22	13.36	-44.36
CC1=CC=C(C(CNC(=O)NCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558179	0	45	0.0	-59.65	350.71	6.70	-52.95
CC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012558180	0	55	0.0	-66.84	429.26	10.70	-56.14
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012558181	0	55	0.0	-69.50	429.45	10.62	-58.88
CCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558182	0	51	0.0	-68.56	393.33	8.56	-60.00
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300012558183	0	54	0.0	-68.83	406.01	8.87	-59.96
CC1=CC=C(C(CNC(=O)N(C)CC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558184	0	48	0.0	-65.14	369.45	9.38	-55.76
CC1=CC=C(C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558185	0	58	0.0	-67.02	451.75	11.56	-55.46
CC1=CC=C(C(CNC(=O)NC(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558186	0	48	0.0	-60.67	371.49	7.53	-53.14
CCC(C)C(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558187	0	57	0.0	-68.08	422.91	9.49	-58.59
CC1=CC=C(C(CNC(=O)N(C)CC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558188	0	48	0.0	-65.14	369.45	9.38	-55.76
CC1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558189	0	55	0.0	-74.17	404.29	11.84	-62.33
CCCC(C)(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558190	0	57	0.0	-67.16	418.96	9.68	-57.48
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300012558191	0	54	0.0	-58.45	401.11	10.62	-47.83
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300012558192	0	52	0.0	-40.48	387.73	11.65	-28.83
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1	REAL300012558193	0	52	0.0	-57.38	404.04	10.92	-46.46
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]2CCCC2)C=C1	REAL300012558194	0	57	0.0	-57.51	427.39	11.63	-45.88
CC1=CC=C(C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558195	0	51	0.0	-59.20	384.07	7.93	-51.27
CC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300012558196	0	55	0.0	-68.45	408.13	9.78	-58.67
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)[NH+]2CCCC2)C=C1	REAL300012558197	0	52	0.0	-64.94	422.27	9.80	-55.14
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+]2CCCC2)C=C1	REAL300012558198	0	58	0.0	-73.48	409.15	10.23	-63.25
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300012558199	0	54	0.0	-58.45	401.11	10.62	-47.83
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1	REAL300012558200	0	54	0.0	-57.63	412.73	11.11	-46.52
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1	REAL300012558201	0	51	0.0	-64.98	391.21	10.36	-54.62
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558202	0	57	0.0	-65.90	425.74	9.60	-56.30
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)C=C1	REAL300012558203	0	55	0.0	-67.66	408.93	9.73	-57.93
CCC(C)(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558204	0	54	0.0	-66.91	397.46	8.93	-57.98
CC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012558205	0	58	0.0	-66.20	437.02	11.39	-54.81
CC1=CC=C(C(CNC(=O)N[C@@H](C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558206	0	48	0.0	-58.97	372.51	7.65	-51.32
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1	REAL300012558207	0	51	0.0	-64.98	391.21	10.36	-54.62
CC1=CC=C(C(CNC(=O)N[C@H](C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558208	0	48	0.0	-61.30	372.91	7.51	-53.79
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300012558209	0	49	0.0	-69.23	378.83	8.85	-60.38
CC1=CC=C(C(CNC(=O)N2CCOCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558210	0	53	0.0	-70.57	395.60	9.14	-61.43
CC1=CC=C(C(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)[NH+]2CCCC2)C=C1	REAL300012558211	0	61	0.0	-69.84	433.65	12.21	-57.63
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300012558212	0	52	0.0	-69.18	398.66	9.04	-60.14
CC1=CC=C(C(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012558213	0	58	0.0	-68.42	440.17	12.49	-55.93
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1	REAL300012558214	0	55	0.0	-58.52	422.60	9.54	-48.98
CC1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558215	0	52	0.0	-70.76	390.72	10.80	-59.96
CC1=CC=C(C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558216	0	55	0.0	-76.64	399.10	12.21	-64.43
CC1=CC=C(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558217	0	51	0.0	-65.21	384.94	9.53	-55.68
CC1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558218	0	52	0.0	-72.94	393.19	10.54	-62.40
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC2)[NH+]2CCCC2)C=C1	REAL300012558219	0	52	0.0	-68.29	395.74	9.35	-58.94
C=CCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558220	0	52	0.0	-67.91	406.64	9.00	-58.91
CC1=CC=C(C(CNC(=O)N2CCCC2(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558221	0	55	0.0	-70.34	410.26	11.03	-59.31
CC1=CC=C(C(CNC(=O)N2CCCCCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558222	0	58	0.0	-74.09	417.05	12.22	-61.87
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300012558223	0	52	0.0	-69.18	398.66	9.04	-60.14
CC1=CC=C(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558224	0	51	0.0	-65.66	383.42	9.61	-56.05
CCCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558225	0	57	0.0	-67.85	435.49	10.11	-57.74
CC1=CC=C(C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558226	0	55	0.0	-73.04	410.20	11.10	-61.94
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+]2CCCC2)C=C1	REAL300012558227	0	58	0.0	-54.63	422.62	11.85	-42.78
COCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558228	0	52	0.0	-70.17	405.18	6.79	-63.38
CCCCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558229	0	60	0.0	-68.46	457.83	10.87	-57.59
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+]2CCCC2)C=C1	REAL300012558230	0	59	0.0	-57.31	435.99	10.26	-47.05
CC1=CC=C(C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)[NH+]2CCCC2)C=C1	REAL300012558231	0	58	0.0	-70.46	420.37	11.47	-58.99
CC1=CC=C(C(CNC(=O)N(C(C)C(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300012558232	0	55	0.0	-48.61	405.12	11.81	-36.80
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C1CC1	REAL300012558233	0	58	0.0	-54.68	422.28	12.80	-41.88
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)[NH+]2CCCC2)C=C1	REAL300012558234	0	55	0.0	-71.99	435.07	10.81	-61.18
CC1=CC=C(C(NC(=O)NCC(C2=CC=C(C)C=C2)[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012558235	0	58	0.0	-68.75	451.83	11.48	-57.27
CC1=CC=C(C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558236	0	51	0.0	-62.87	409.26	9.25	-53.62
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCSCC2)[NH+]2CCCC2)C=C1	REAL300012558237	0	56	0.0	-67.33	421.71	10.56	-56.77
COCC(C)(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558238	0	55	0.0	-71.41	415.71	8.21	-63.20
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1	REAL300012558239	0	58	0.0	-66.78	435.84	10.01	-56.77
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]2CCCC2)C=C1	REAL300012558240	0	57	0.0	-57.51	427.39	11.63	-45.88
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300012558241	0	52	0.0	-40.48	387.73	11.65	-28.83
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOC2)[NH+]2CCCC2)C=C1	REAL300012558242	0	53	0.0	-63.83	400.15	7.16	-56.67
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+]2CCCC2)C=C1	REAL300012558243	0	61	0.0	-66.66	446.40	10.83	-55.83
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOCC2)[NH+]2CCCC2)C=C1	REAL300012558244	0	56	0.0	-66.99	415.34	8.35	-58.64
C=CCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558245	0	55	0.0	-67.48	426.81	9.89	-57.59
CC1=CC=C(C(CNC(=O)NC(CF)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558246	0	48	0.0	-57.64	375.11	7.54	-50.10
CC1=CC=C(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558247	0	51	0.0	-65.66	383.42	9.61	-56.05
CCC(CC)(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558248	0	57	0.0	-65.16	413.85	9.81	-55.35
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1	REAL300012558249	0	57	0.0	-55.62	424.01	11.91	-43.71
CCC(COC)(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558250	0	58	0.0	-72.83	432.38	9.12	-63.71
CC1=CC=C(C(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558251	0	61	0.0	-66.92	455.58	10.65	-56.27
CC1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558252	0	55	0.0	-64.84	426.11	10.21	-54.63
COCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558253	0	55	0.0	-69.09	427.00	7.62	-61.47
CC1=CC=C(C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558254	0	60	0.0	-66.63	441.56	12.03	-54.60
CC1=CC=C(C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558255	0	51	0.0	-68.44	405.67	8.84	-59.60
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1	REAL300012558256	0	61	0.0	-72.99	445.40	13.06	-59.93
CCCN(C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012558257	0	57	0.0	-50.43	423.53	11.95	-38.48
CC1=CC=C(C(CNC(=O)NC(CCF)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558258	0	51	0.0	-67.89	399.92	8.70	-59.19
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+]2CCCC2)C=C1	REAL300012558259	0	59	0.0	-57.31	435.99	10.26	-47.05
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)[NH+]2CCCC2)C=C1	REAL300012558260	0	61	0.0	-57.21	446.16	12.74	-44.47
CC1=CC=C(C(CNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)[NH+]2CCCC2)C=C1	REAL300012558261	0	61	0.0	-69.84	427.65	10.82	-59.02
CC1=CC=C(C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558262	0	54	0.0	-64.42	404.05	9.05	-55.37
CC1=CC=C(C(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558263	0	56	0.0	-62.51	428.33	11.34	-51.17
CC1=CC=C(C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558264	0	52	0.0	-68.36	407.49	10.42	-57.94
CC1=CC=C(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558265	0	51	0.0	-62.15	385.52	9.71	-52.44
CC1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)[NH+]2CCCC2)C=C1	REAL300012558266	0	53	0.0	-75.44	399.70	11.22	-64.22
COC1CN(C(=O)NCC(C2=CC=C(C)C=C2)[NH+]2CCCC2)C(C)(C(=O)[O-])C1	REAL300012558267	0	59	0.0	-74.40	443.58	10.00	-64.40
CC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]2CCCC2)C=C1	REAL300012558268	0	57	0.0	-67.07	425.22	9.68	-57.39
C=C(Cl)CC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558269	0	52	0.0	-68.29	421.76	9.62	-58.67
C=C(C)CC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558270	0	55	0.0	-68.44	427.18	9.75	-58.69
CC1=CC=C(C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)[NH+]2CCCC2)C=C1	REAL300012558271	0	56	0.0	-79.23	415.79	11.99	-67.24
CC1=CC=C(C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558272	0	52	0.0	-65.52	403.78	11.10	-54.42
CC1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558273	0	52	0.0	-67.86	400.48	10.34	-57.52
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(C)C=C2)[NH+]2CCCC2)C1	REAL300012558274	0	53	0.0	-69.99	407.44	10.63	-59.36
CC1=CC=C(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558275	0	57	0.0	-65.35	433.09	9.99	-55.36
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+]2CCCC2)C=C1	REAL300012558276	0	59	0.0	-68.21	442.57	8.72	-59.49
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012558277	0	55	0.0	-69.50	429.45	10.62	-58.88
CC1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558278	0	55	0.0	-64.84	426.11	10.21	-54.63
CC1=CC=C(C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558279	0	63	0.0	-68.47	475.39	11.38	-57.09
CC1=CC=C(C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558280	0	59	0.0	-72.14	450.69	9.02	-63.12
CSCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558281	0	52	0.0	-65.68	416.80	8.97	-56.71
COC[C@H](NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558282	0	52	0.0	-66.20	406.22	6.94	-59.26
CC[C@H](NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558283	0	51	0.0	-64.53	394.26	8.71	-55.82
CCC(C)CC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558284	0	60	0.0	-68.19	449.43	10.52	-57.67
C=CCCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558285	0	58	0.0	-68.03	449.14	10.66	-57.37
CC1=CC=C(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558286	0	53	0.0	-71.20	404.00	11.56	-59.64
CC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012558287	0	58	0.0	-66.20	437.02	11.39	-54.81
CC1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558288	0	52	0.0	-70.76	390.72	10.80	-59.96
CCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558289	0	54	0.0	-68.59	414.83	9.32	-59.27
CC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300012558290	0	54	0.0	-68.58	406.61	8.98	-59.60
CC1=CC=C(C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558291	0	56	0.0	-77.41	415.15	12.12	-65.29
CCN(C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012558292	0	57	0.0	-66.59	417.04	11.34	-55.25
CCCN(C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012558293	0	57	0.0	-50.43	423.53	11.95	-38.48
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]2CCCC2)C=C1	REAL300012558294	0	51	0.0	-61.87	405.57	10.85	-51.02
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]2CCCC2)C=C1	REAL300012558295	0	51	0.0	-61.87	405.57	10.85	-51.02
CC1=CC=C(C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558296	0	54	0.0	-66.81	398.33	10.42	-56.39
CC1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558297	0	52	0.0	-72.94	393.19	10.54	-62.40
CC1=CC=C(C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558298	0	53	0.0	-73.82	402.20	7.60	-66.22
CCC[C@@H](NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558299	0	54	0.0	-67.78	415.76	9.48	-58.30
CC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012558300	0	55	0.0	-66.84	429.26	10.70	-56.14
C=CCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558301	0	55	0.0	-67.48	426.81	9.89	-57.59
CC1=CC=C(C(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558302	0	56	0.0	-66.95	421.87	9.81	-57.14
CC1=CC=C(C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558303	0	55	0.0	-70.44	410.63	11.10	-59.34
CC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300012558304	0	54	0.0	-66.41	411.46	9.15	-57.26
CC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012558305	0	55	0.0	-66.68	430.64	10.73	-55.95
CC1=CC=C(C(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558306	0	58	0.0	-64.59	444.47	10.09	-54.50
CC1=CC=C(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558307	0	51	0.0	-62.15	385.52	9.71	-52.44
CCC[C@H](NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558308	0	54	0.0	-65.21	415.09	9.34	-55.87
CCN(C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012558309	0	54	0.0	-65.18	404.46	11.09	-54.09
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+]2CCCC2)C=C1	REAL300012558310	0	58	0.0	-54.63	422.62	11.85	-42.78
CC1=CC=C(C(CNC(=O)N(C)CC(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558311	0	54	0.0	-71.78	404.81	10.29	-61.49
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558312	0	57	0.0	-65.90	425.74	9.60	-56.30
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1	REAL300012558313	0	54	0.0	-62.71	404.89	10.79	-51.92
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)[NH+]2CCCC2)C=C1	REAL300012558314	0	56	0.0	-72.86	426.17	6.55	-66.31
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)[NH+]2CCCC2)C=C1	REAL300012558315	0	58	0.0	-70.86	430.57	10.39	-60.47
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)[NH+]2CCCC2)C=C1	REAL300012558316	0	61	0.0	-71.54	438.44	11.00	-60.54
COCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558317	0	55	0.0	-69.09	427.00	7.62	-61.47
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)[NH+]2CCCC2)C=C1	REAL300012558318	0	58	0.0	-68.87	431.95	11.06	-57.81
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)[NH+]2CCCC2)C=C1	REAL300012558319	0	55	0.0	-70.83	418.11	10.01	-60.82
CC1=CC=C(C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558320	0	53	0.0	-75.63	403.83	7.03	-68.60
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOC2)[NH+]2CCCC2)C=C1	REAL300012558321	0	56	0.0	-63.77	429.04	7.78	-55.99
CC1=CC=C(C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558322	0	56	0.0	-77.82	415.63	11.66	-66.16
CC1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)[NH+]2CCCC2)C=C1	REAL300012558323	0	54	0.0	-72.81	407.76	9.46	-63.35
CC1=CC=C(C(CNC(=O)N2CC(C)CCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558324	0	58	0.0	-73.64	425.13	12.42	-61.22
CC1=CC=C(C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558325	0	62	0.0	-65.37	467.19	11.79	-53.58
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+]2CCCC2)C=C1	REAL300012558326	0	55	0.0	-65.34	414.62	9.63	-55.71
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+]2CCCC2)C=C1	REAL300012558327	0	61	0.0	-66.66	446.40	10.83	-55.83
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+]2CCCC2)C=C1	REAL300012558328	0	55	0.0	-65.34	414.62	9.63	-55.71
CC1=CC=C(C(CNC(=O)N2CCC(C)C2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558329	0	55	0.0	-70.63	409.32	10.70	-59.93
C=CCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558330	0	52	0.0	-67.91	406.64	9.00	-58.91
CC1=CC=C(C(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)[NH+]2CCCC2)C=C1	REAL300012558331	0	62	0.0	-48.95	441.22	12.24	-36.71
CC1=CC=C(C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558332	0	56	0.0	-35.21	406.01	11.76	-23.45
CC1=CC=C(C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558333	0	62	0.0	-65.37	467.19	11.79	-53.58
COC1CC(NC(=O)NCC(C2=CC=C(C)C=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012558334	0	56	0.0	-73.76	429.09	8.33	-65.43
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)[NH+]2CCCC2)C=C1	REAL300012558335	0	52	0.0	-67.04	403.94	9.38	-57.66
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=C(C)C=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012558336	0	56	0.0	-68.05	427.64	8.24	-59.81
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1	REAL300012558337	0	58	0.0	-73.82	426.11	12.27	-61.55
CC1=CC=C(C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558338	0	51	0.0	-62.87	409.26	9.25	-53.62
CC1=CC=C(C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558339	0	59	0.0	-67.60	446.89	8.63	-58.97
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])COC2)[NH+]2CCCC2)C=C1	REAL300012558340	0	50	0.0	-63.26	386.35	6.39	-56.87
CC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300012558341	0	57	0.0	-64.79	412.38	9.55	-55.24
CC1=CC=C(C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558342	0	53	0.0	-76.01	395.78	12.29	-63.72
CC1=CC=C(C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558343	0	56	0.0	-72.23	412.32	11.80	-60.43
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)[NH+]2CCCC2)C=C1	REAL300012558344	0	62	0.0	-71.32	456.71	11.21	-60.11
CC1=CC=C(C(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558345	0	62	0.0	-48.29	455.34	12.58	-35.71
CC1=CC=C(C(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558346	0	62	0.0	-75.06	442.79	12.03	-63.03
C=CCSCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558347	0	56	0.0	-64.84	450.40	10.45	-54.39
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1	REAL300012558348	0	57	0.0	-66.01	420.26	12.00	-54.01
COC1(C(NC(=O)NCC(C2=CC=C(C)C=C2)[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012558349	0	59	0.0	-63.28	442.40	8.29	-54.99
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)[NH+]2CCCC2)C=C1	REAL300012558350	0	55	0.0	-71.28	427.46	10.19	-61.09
CC1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558352	0	52	0.0	-67.86	400.48	10.34	-57.52
CC1=CC=C(C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558353	0	54	0.0	-51.20	410.39	11.24	-39.96
CC1=CC=C(C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558354	0	58	0.0	-73.71	425.47	11.49	-62.22
CC1=CC=C(C(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558355	0	62	0.0	-72.76	440.27	13.83	-58.93
CC1=CC=C(C(CNC(=O)NC(CCC(C)C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558356	0	60	0.0	-68.70	453.89	10.61	-58.09
CC1=CC=C(C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558357	0	59	0.0	-48.55	440.35	12.10	-36.45
CC1=CC=C(C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558358	0	59	0.0	-67.60	446.89	8.63	-58.97
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(C)C=C2)[NH+]2CCCC2)C1	REAL300012558359	0	56	0.0	-68.73	437.58	11.54	-57.19
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)[NH+]2CCCC2)C=C1	REAL300012558360	0	59	0.0	-70.45	432.58	11.24	-59.21
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)[NH+]2CCCC2)C=C1	REAL300012558361	0	56	0.0	-72.90	415.82	10.49	-62.41
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)[NH+]2CCCC2)C=C1	REAL300012558362	0	59	0.0	-68.01	438.54	10.97	-57.04
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCC2)[NH+]2CCCC2)C=C1	REAL300012558363	0	58	0.0	-66.10	430.97	10.14	-55.96
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558364	0	55	0.0	-65.84	424.37	7.95	-57.89
CC1=CC=C(C(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)[NH+]2CCCC2)C=C1	REAL300012558365	0	55	0.0	-73.49	418.04	10.40	-63.09
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012558366	0	58	0.0	-57.72	450.22	13.36	-44.36
CC1=CC=C(C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558367	0	58	0.0	-52.56	433.07	11.34	-41.22
CC1=CC=C(C(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558368	0	55	0.0	-71.03	415.11	11.66	-59.37
CC1=CC=C(C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558369	0	52	0.0	-73.30	404.94	10.69	-62.61
CC1=CC=C(C(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558370	0	55	0.0	-66.78	421.27	11.13	-55.65
CC1=CC=C(C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558371	0	59	0.0	-75.84	431.07	11.63	-64.21
COCCCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558372	0	58	0.0	-67.03	447.67	8.40	-58.63
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1	REAL300012558373	0	57	0.0	-66.46	425.21	11.47	-54.99
CCOCC(NC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012558374	0	55	0.0	-70.46	427.04	7.77	-62.69
CC1=CC=C(C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558375	0	60	0.0	-65.73	443.91	10.94	-54.79
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCO2)[NH+]2CCCC2)C=C1	REAL300012558376	0	59	0.0	-67.33	445.27	9.21	-58.12
CC1=CC=C(C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558377	0	56	0.0	-73.23	416.64	10.19	-63.04
CC1=CC=C(C(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558378	0	52	0.0	-70.39	413.35	9.07	-61.32
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)[NH+]2CCCC2)C=C1	REAL300012558379	0	55	0.0	-58.25	431.89	11.50	-46.75
CC1=CC=C(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012558380	0	51	0.0	-65.21	384.94	9.53	-55.68
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(C)C=C2)[NH+]2CCCC2)C1	REAL300012558381	0	59	0.0	-68.46	444.40	11.27	-57.19
CC(C)C[C@H](NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558382	0	53	0.0	-68.69	385.82	7.60	-61.09
C=CCOCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558383	0	52	0.0	-69.89	394.20	6.00	-63.89
C=CC(C)C(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558384	0	51	0.0	-67.55	372.38	7.13	-60.42
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[NH+]1CCC(C)CC1	REAL300012558385	0	55	0.0	-70.97	392.08	6.00	-64.97
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[NH+]1CCC(C)CC1	REAL300012558386	0	51	0.0	-63.53	395.82	8.44	-55.09
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[NH+]1CCC(C)CC1	REAL300012558387	0	51	0.0	-63.97	406.31	8.86	-55.11
COC1CCN(C(=O)NCC(C)[NH+]2CCC(C)CC2)C(C(=O)[O-])C1	REAL300012558388	0	55	0.0	-78.90	388.08	8.27	-70.63
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[NH+]1CCC(C)CC1	REAL300012558389	0	55	0.0	-66.96	391.49	6.11	-60.85
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558390	0	54	0.0	-77.69	373.23	9.85	-67.84
CC1=CC(C(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])=CC=C1F	REAL300012558391	0	54	0.0	-66.00	409.87	9.02	-56.98
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)[NH+]1CCC(C)CC1	REAL300012558392	0	56	0.0	-68.98	419.05	8.16	-60.82
CC1=CC(C(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])=CC(C)=C1	REAL300012558393	0	57	0.0	-69.05	426.59	9.62	-59.43
CC1=CC=C(C(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])C=C1C	REAL300012558394	0	57	0.0	-70.14	422.14	9.50	-60.64
COC1=CC=C(C(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])C=C1Cl	REAL300012558395	0	55	0.0	-66.30	428.64	8.18	-58.12
CC1=CC=CC(C(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])=C1C	REAL300012558396	0	57	0.0	-69.48	414.12	9.38	-60.10
COC1=CC=C(C(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])C=C1F	REAL300012558397	0	55	0.0	-66.59	418.84	7.69	-58.90
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[NH+]1CCC(C)CC1	REAL300012558398	0	54	0.0	-56.42	379.32	9.09	-47.33
CCCN(C(=O)NCC(C)[NH+]1CCC(C)CC1)C(COC)C(=O)[O-]	REAL300012558399	0	57	0.0	-70.61	410.50	9.78	-60.83
CCCN(C(=O)NCC(C)[NH+]1CCC(C)CC1)C(CC)C(=O)[O-]	REAL300012558400	0	56	0.0	-69.41	395.10	10.39	-59.02
CC(CNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558401	0	51	0.0	-78.87	358.02	9.43	-69.44
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[NH+]1CCC(C)CC1	REAL300012558402	0	51	0.0	-66.29	400.45	8.81	-57.48
CC(CNC(=O)N1CCSCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558403	0	49	0.0	-76.82	359.28	9.62	-67.20
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCC(C)CC1	REAL300012558404	0	54	0.0	-73.06	377.14	8.42	-64.64
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCC(C)CC1	REAL300012558405	0	51	0.0	-69.72	364.37	7.69	-62.03
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[NH+]1CCC(C)CC1	REAL300012558406	0	57	0.0	-70.55	384.54	9.46	-61.09
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558407	0	54	0.0	-69.20	406.01	9.24	-59.96
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012558408	0	54	0.0	-51.44	404.51	11.03	-40.41
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012558409	0	51	0.0	-67.64	385.55	8.66	-58.98
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012558410	0	51	0.0	-68.70	383.12	8.32	-60.38
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558411	0	54	0.0	-69.20	406.01	9.24	-59.96
CCC(C)C(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558412	0	53	0.0	-68.28	382.57	7.43	-60.85
CC(CNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558413	0	51	0.0	-78.87	358.02	9.43	-69.44
CCCC(C)(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558414	0	53	0.0	-68.56	373.22	7.35	-61.21
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCC(C)CC1	REAL300012558415	0	53	0.0	-52.12	382.10	9.34	-42.78
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558416	0	55	0.0	-77.77	397.06	11.65	-66.12
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[NH+]1CCC(C)CC1	REAL300012558417	0	51	0.0	-67.37	363.01	7.70	-59.67
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012558418	0	48	0.0	-65.84	375.75	7.44	-58.40
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCC(C)CC1	REAL300012558419	0	54	0.0	-73.06	377.14	8.42	-64.64
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)[NH+]1CCC(C)CC1	REAL300012558420	0	54	0.0	-49.45	421.24	11.55	-37.90
CC(CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558421	0	58	0.0	-68.88	434.26	9.32	-59.56
CC[C@H](C)[C@H](NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558422	0	53	0.0	-68.64	378.95	7.52	-61.12
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCC(C)CC1	REAL300012558423	0	51	0.0	-69.72	364.37	7.69	-62.03
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[NH+]1CCC(C)CC1	REAL300012558424	0	54	0.0	-49.76	410.92	11.10	-38.66
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[NH+]1CCC(C)CC1	REAL300012558425	0	55	0.0	-70.75	403.41	9.87	-60.88
CC(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)[NH+]1CCC(C)CC1	REAL300012558426	0	51	0.0	-69.89	394.92	8.51	-61.38
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012558427	0	54	0.0	-70.02	391.55	9.07	-60.95
CCCCCCC(C)(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558428	0	62	0.0	-68.85	437.71	9.68	-59.17
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558429	0	57	0.0	-65.92	415.53	11.31	-54.61
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[NH+]1CCC(C)CC1	REAL300012558430	0	51	0.0	-66.29	400.45	8.81	-57.48
CC(CNC(=O)N1CCOCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558431	0	49	0.0	-75.66	348.86	6.72	-68.94
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[NH+]1CCC(C)CC1	REAL300012558432	0	57	0.0	-72.77	388.06	10.14	-62.63
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558433	0	57	0.0	-53.26	427.35	11.86	-41.40
CC(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012558434	0	54	0.0	-72.22	393.50	10.54	-61.68
COCCN(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCC(C)CC1	REAL300012558435	0	51	0.0	-52.47	377.32	7.25	-45.22
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)[NH+]1CCC(C)CC1	REAL300012558436	0	55	0.0	-73.85	398.44	9.35	-64.50
CC(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558437	0	51	0.0	-78.46	359.19	9.67	-68.79
CC(CNC(=O)N1CCCC1(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558438	0	51	0.0	-75.72	363.42	8.68	-67.04
CC(CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558439	0	58	0.0	-75.65	439.81	9.26	-66.39
CC(CNC(=O)N1CCCCCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558440	0	54	0.0	-78.65	370.83	9.77	-68.88
CCCCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558441	0	53	0.0	-68.94	390.58	7.77	-61.17
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558442	0	57	0.0	-53.26	427.35	11.86	-41.40
CC(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558443	0	51	0.0	-75.66	365.13	9.06	-66.60
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCC(C)CC1	REAL300012558444	0	54	0.0	-48.29	381.86	9.58	-38.71
COCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558445	0	48	0.0	-69.46	358.96	4.44	-65.02
CCCCCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558446	0	56	0.0	-68.91	412.08	8.55	-60.36
CCC1CCC(NC(=O)NCC(C)[NH+]2CCC(C)CC2)(C(=O)[O-])CC1	REAL300012558447	0	60	0.0	-69.58	417.95	10.05	-59.53
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[NH+]1CCC(C)CC1	REAL300012558448	0	55	0.0	-51.64	390.28	7.93	-43.71
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)[NH+]1CCC(C)CC1	REAL300012558449	0	54	0.0	-76.08	374.84	9.40	-66.68
CC(CNC(=O)N(C(C)C(=O)[O-])C1CC1)[NH+]1CCC(C)CC1	REAL300012558450	0	51	0.0	-58.15	365.43	8.93	-49.22
CCC(C(=O)[O-])N(C(=O)NCC(C)[NH+]1CCC(C)CC1)C1CC1	REAL300012558451	0	54	0.0	-52.57	386.97	10.25	-42.32
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)[NH+]1CCC(C)CC1	REAL300012558452	0	51	0.0	-71.40	396.01	8.78	-62.62
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)[NH+]1CCC(C)CC1	REAL300012558453	0	51	0.0	-74.37	387.72	8.45	-65.92
CC(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558454	0	55	0.0	-52.45	400.44	11.10	-41.35
CC(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558455	0	54	0.0	-71.74	421.19	9.62	-62.12
CC(CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558456	0	60	0.0	-72.39	449.77	11.28	-61.11
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558457	0	60	0.0	-69.94	428.33	9.52	-60.42
CC(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012558458	0	57	0.0	-49.97	412.15	11.11	-38.86
CC1=CC=C(C(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012558459	0	54	0.0	-69.40	405.13	8.97	-60.43
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558460	0	47	0.0	-62.35	362.69	6.94	-55.41
CC(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[NH+]1CCC(C)CC1	REAL300012558461	0	57	0.0	-69.92	429.74	10.57	-59.35
CC(CNC(=O)NC1(C(=O)[O-])CCSCC1)[NH+]1CCC(C)CC1	REAL300012558462	0	52	0.0	-69.55	376.51	8.52	-61.03
COCC(C)(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558463	0	51	0.0	-72.91	369.97	5.88	-67.03
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)[NH+]1CCC(C)CC1	REAL300012558464	0	54	0.0	-66.54	389.71	7.77	-58.77
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCC(C)CC1	REAL300012558465	0	53	0.0	-52.12	382.10	9.34	-42.78
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCC(C)CC1	REAL300012558466	0	60	0.0	-48.77	432.59	12.38	-36.39
CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558467	0	50	0.0	-53.15	385.58	9.20	-43.95
CC(CNC(=O)NC1(C(=O)[O-])CCOC1)[NH+]1CCC(C)CC1	REAL300012558468	0	49	0.0	-68.17	355.01	5.09	-63.08
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[NH+]1CCC(C)CC1	REAL300012558469	0	57	0.0	-67.71	401.03	8.57	-59.14
CC(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558470	0	58	0.0	-67.39	416.51	9.09	-58.30
CC(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012558471	0	58	0.0	-44.94	425.90	12.04	-32.90
CC(CNC(=O)NC1(C(=O)[O-])CCOCC1)[NH+]1CCC(C)CC1	REAL300012558472	0	52	0.0	-69.92	368.92	6.00	-63.92
C=CCCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558473	0	51	0.0	-68.51	381.90	7.55	-60.96
CC(CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558474	0	57	0.0	-37.30	409.63	12.37	-24.93
CCC(CC)(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558475	0	53	0.0	-67.91	368.10	7.48	-60.43
COC1=CC=C(C(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012558476	0	55	0.0	-69.44	413.21	7.59	-61.85
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)[NH+]1CCC(C)CC1	REAL300012558477	0	53	0.0	-51.10	378.32	9.64	-41.46
CCC(COC)(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558478	0	54	0.0	-74.62	386.64	6.78	-67.84
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)[NH+]1CCC(C)CC1	REAL300012558479	0	57	0.0	-66.84	411.00	8.51	-58.33
CC(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)[NH+]1CCC(C)CC1	REAL300012558480	0	54	0.0	-75.25	393.68	4.41	-70.84
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558481	0	51	0.0	-68.84	379.57	7.84	-61.00
COCCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558482	0	51	0.0	-69.45	381.26	5.29	-64.16
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)[NH+]1CCC(C)CC1	REAL300012558483	0	56	0.0	-66.54	396.27	9.74	-56.80
CC(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558484	0	47	0.0	-63.81	358.21	6.75	-57.06
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[NH+]1CCC(C)CC1	REAL300012558485	0	57	0.0	-76.58	398.18	10.64	-65.94
CCCN(C(=O)NCC(C)[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012558486	0	53	0.0	-44.16	375.95	9.68	-34.48
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558487	0	57	0.0	-75.54	415.47	11.90	-63.64
CCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012558488	0	57	0.0	-68.31	425.18	10.46	-57.85
CCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012558489	0	57	0.0	-69.66	408.52	9.97	-59.69
COC1CCCC(C(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])C1	REAL300012558490	0	61	0.0	-72.40	433.11	7.50	-64.90
CC(CNC(=O)NC(CCF)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558491	0	47	0.0	-68.26	354.18	6.36	-61.90
COC1(CC(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])CCC1	REAL300012558492	0	58	0.0	-68.90	419.99	7.29	-61.61
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[NH+]1CCC(C)CC1	REAL300012558493	0	55	0.0	-51.64	390.28	7.93	-43.71
CC(CNC(=O)N(CC(=O)[O-])C1CCCCC1)[NH+]1CCC(C)CC1	REAL300012558494	0	57	0.0	-48.60	399.39	10.32	-38.28
CC(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[NH+]1CCC(C)CC1	REAL300012558495	0	57	0.0	-73.53	390.90	8.81	-64.72
COC1=CC=CC(C(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012558496	0	55	0.0	-71.92	413.22	7.58	-64.34
CC(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558497	0	50	0.0	-65.69	358.31	6.73	-58.96
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558498	0	52	0.0	-58.14	382.91	9.29	-48.85
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558499	0	48	0.0	-68.18	361.89	8.34	-59.84
COC1=CC=CC([C@H](NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012558500	0	55	0.0	-71.80	413.59	7.64	-64.16
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)[NH+]2CCC(C)CC2)C1	REAL300012558501	0	57	0.0	-77.20	412.72	10.04	-67.16
COC1=CC=CC(CC(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012558502	0	58	0.0	-71.48	435.71	8.64	-62.84
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[NH+]1CCC(C)CC1	REAL300012558503	0	60	0.0	-71.00	406.81	9.68	-61.32
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[NH+]1CCC(C)CC1	REAL300012558504	0	49	0.0	-79.11	354.32	9.14	-69.97
CC(CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558505	0	57	0.0	-66.27	425.87	9.94	-56.33
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)[NH+]1CCC(C)CC1	REAL300012558506	0	56	0.0	-74.18	419.77	9.74	-64.44
COC1CN(C(=O)NCC(C)[NH+]2CCC(C)CC2)C(C)(C(=O)[O-])C1	REAL300012558507	0	55	0.0	-70.76	396.63	7.78	-62.98
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558508	0	58	0.0	-67.36	419.13	7.08	-60.28
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]1CCC(C)CC1	REAL300012558509	0	53	0.0	-68.86	377.14	7.41	-61.45
C=C(Cl)CC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558510	0	48	0.0	-69.48	376.02	7.29	-62.19
C=C(C)CC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558511	0	51	0.0	-68.37	380.60	7.43	-60.94
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[NH+]1CCC(C)CC1	REAL300012558512	0	52	0.0	-83.97	368.13	9.57	-74.40
CC(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558513	0	57	0.0	-66.97	415.55	9.49	-57.48
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558514	0	48	0.0	-67.24	361.88	8.38	-58.86
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558515	0	48	0.0	-71.93	352.84	8.20	-63.73
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[NH+]2CCC(C)CC2)C1	REAL300012558516	0	49	0.0	-72.92	362.31	8.57	-64.35
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558517	0	58	0.0	-71.18	419.04	7.04	-64.14
CC(C)C[C@H](NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558518	0	53	0.0	-68.69	385.82	7.60	-61.09
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[NH+]1CCC(C)CC1	REAL300012558519	0	55	0.0	-70.97	392.08	6.00	-64.97
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012558520	0	51	0.0	-68.70	383.12	8.32	-60.38
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558521	0	51	0.0	-68.84	379.57	7.84	-61.00
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558522	0	50	0.0	-67.43	392.55	6.40	-61.03
CC(C)CCCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558523	0	59	0.0	-68.24	428.81	9.06	-59.18
CC(CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558524	0	57	0.0	-73.17	435.64	9.71	-63.46
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558525	0	55	0.0	-71.17	404.15	6.68	-64.49
CSCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558526	0	48	0.0	-65.69	371.05	6.64	-59.05
COC[C@H](NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558527	0	48	0.0	-69.89	359.59	4.49	-65.40
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558528	0	54	0.0	-66.33	412.55	9.43	-56.90
CCC(C)CC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558529	0	56	0.0	-68.71	403.68	8.19	-60.52
C=CCCCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558530	0	54	0.0	-67.62	402.56	8.34	-59.28
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558531	0	54	0.0	-68.57	411.90	9.38	-59.19
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)[NH+]1CCC(C)CC1	REAL300012558532	0	57	0.0	-72.17	424.96	10.48	-61.69
CC(CNC(=O)N1CCSCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558533	0	49	0.0	-76.82	359.28	9.62	-67.20
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012558534	0	54	0.0	-70.02	391.55	9.07	-60.95
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558535	0	52	0.0	-81.50	367.89	9.69	-71.81
CCN(C(=O)NCC(C)[NH+]1CCC(C)CC1)C(C)(C)C(=O)[O-]	REAL300012558536	0	53	0.0	-69.75	372.07	8.99	-60.76
CCCN(C(=O)NCC(C)[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012558537	0	53	0.0	-44.16	375.95	9.68	-34.48
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]1CCC(C)CC1	REAL300012558538	0	47	0.0	-62.70	360.57	8.58	-54.12
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]1CCC(C)CC1	REAL300012558539	0	47	0.0	-62.70	360.57	8.58	-54.12
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558540	0	60	0.0	-53.18	434.23	6.58	-46.60
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558541	0	49	0.0	-77.34	359.77	4.31	-73.03
CC(CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558542	1	64	0.0	-52.80	459.42	6.46	-46.34
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)[NH+]1CCC(C)CC1	REAL300012558543	0	55	0.0	-77.80	401.14	11.53	-66.27
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558544	0	58	0.0	-56.90	411.89	11.69	-45.21
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558545	0	56	0.0	-68.97	402.91	9.78	-59.19
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012558546	0	51	0.0	-67.64	385.55	8.66	-58.98
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558547	0	56	0.0	-69.31	424.30	8.29	-61.02
C=CCCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558548	0	51	0.0	-68.51	381.90	7.55	-60.96
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558549	0	50	0.0	-70.68	392.53	6.24	-64.44
CC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558550	0	51	0.0	-65.86	412.42	8.11	-57.75
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558551	0	51	0.0	-88.09	376.86	5.68	-82.41
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558552	0	52	0.0	-69.50	376.36	7.76	-61.74
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558553	0	51	0.0	-74.48	364.80	8.47	-66.01
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012558554	0	51	0.0	-69.26	384.09	8.35	-60.91
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558555	0	54	0.0	-68.31	397.56	7.65	-60.66
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCC(C)CC1	REAL300012558556	0	54	0.0	-48.29	381.86	9.58	-38.71
CC[C@H](C)[C@H](NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558557	0	53	0.0	-68.64	378.95	7.52	-61.12
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[NH+]1CCC(C)CC1	REAL300012558558	0	52	0.0	-75.70	380.96	4.52	-71.18
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[NH+]1CCC(C)CC1	REAL300012558559	0	60	0.0	-69.63	428.68	7.55	-62.08
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[NH+]1CCC(C)CC1	REAL300012558560	0	54	0.0	-72.93	383.67	7.95	-64.98
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[NH+]1CCC(C)CC1	REAL300012558561	0	57	0.0	-71.03	393.12	8.68	-62.35
COCCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558562	0	51	0.0	-69.45	381.26	5.29	-64.16
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558563	0	57	0.0	-65.92	415.53	11.31	-54.61
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[NH+]1CCC(C)CC1	REAL300012558564	0	54	0.0	-71.83	386.63	9.03	-62.80
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)[NH+]1CCC(C)CC1	REAL300012558565	0	61	0.0	-71.56	432.94	10.74	-60.82
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[NH+]1CCC(C)CC1	REAL300012558566	0	51	0.0	-67.78	370.83	7.92	-59.86
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[NH+]1CCC(C)CC1	REAL300012558567	0	60	0.0	-68.24	431.98	7.51	-60.73
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558568	0	49	0.0	-81.29	357.19	4.62	-76.67
CC(CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558569	0	59	0.0	-54.50	427.76	12.23	-42.27
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)[NH+]1CCC(C)CC1	REAL300012558570	0	52	0.0	-64.55	377.69	5.24	-59.31
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558571	0	52	0.0	-78.89	368.20	9.30	-69.59
CC(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)[NH+]1CCC(C)CC1	REAL300012558572	0	55	0.0	-76.20	415.64	8.43	-67.77
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[NH+]1CCC(C)CC1	REAL300012558573	0	50	0.0	-76.07	362.45	7.36	-68.71
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558574	0	54	0.0	-78.29	378.86	10.02	-68.27
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012558575	0	57	0.0	-68.36	420.91	9.56	-58.80
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558576	0	58	0.0	-67.01	416.18	10.09	-56.92
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH+]1CCC(C)CC1	REAL300012558577	0	51	0.0	-68.43	367.87	7.13	-61.30
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[NH+]1CCC(C)CC1	REAL300012558578	0	64	0.0	-68.64	442.76	9.36	-59.28
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[NH+]1CCC(C)CC1	REAL300012558579	0	57	0.0	-67.71	401.03	8.57	-59.14
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH+]1CCC(C)CC1	REAL300012558580	0	51	0.0	-68.43	367.87	7.13	-61.30
CC(CNC(=O)N1CCC(C)C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558581	0	51	0.0	-76.51	362.55	8.28	-68.23
CC(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558582	0	58	0.0	-65.89	419.73	8.05	-57.84
CC(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[NH+]1CCC(C)CC1	REAL300012558583	0	58	0.0	-43.18	394.92	10.38	-32.80
CC(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)[NH+]1CCC(C)CC1	REAL300012558584	0	58	0.0	-70.45	399.38	7.60	-62.85
CC1=CC=CC2=C1CCN(C(=O)NCC(C)[NH+]1CCC(C)CC1)C2C(=O)[O-]	REAL300012558585	0	58	0.0	-55.60	417.95	11.65	-43.95
CC(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558586	0	52	0.0	-45.66	369.17	9.15	-36.51
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558587	0	58	0.0	-67.01	416.18	10.09	-56.92
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558588	0	54	0.0	-70.68	412.87	9.35	-61.33
COC1CC(NC(=O)NCC(C)[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012558589	0	52	0.0	-67.05	382.03	6.20	-60.85
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[NH+]1CCC(C)CC1	REAL300012558590	0	48	0.0	-69.75	358.92	7.32	-62.43
CO[C@H]1C[C@](NC(=O)NCC(C)[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012558591	0	52	0.0	-69.29	382.05	6.17	-63.12
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[NH+]1CCC(C)CC1	REAL300012558592	0	51	0.0	-69.76	385.74	7.99	-61.77
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[NH+]1CCC(C)CC1	REAL300012558593	0	54	0.0	-74.54	379.39	9.85	-64.69
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558594	0	47	0.0	-62.35	362.69	6.94	-55.41
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558595	0	55	0.0	-69.49	401.76	6.29	-63.20
CC(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558596	0	51	0.0	-70.04	397.06	8.30	-61.74
COCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012558597	0	58	0.0	-67.61	424.73	8.29	-59.32
CC(C)C(C)(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558598	0	53	0.0	-67.91	368.46	7.28	-60.63
CC(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558599	0	49	0.0	-79.94	353.97	9.29	-70.65
CC(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558600	0	52	0.0	-75.12	369.85	8.93	-66.19
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558601	0	57	0.0	-75.54	415.47	11.90	-63.64
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558602	0	60	0.0	-69.94	428.33	9.52	-60.42
CC(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558603	0	57	0.0	-70.18	429.36	10.07	-60.11
CC(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558604	0	57	0.0	-68.13	429.36	10.07	-58.06
CC(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)[NH+]1CCC(C)CC1	REAL300012558605	0	58	0.0	-67.15	408.40	8.95	-58.20
CC(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558606	0	60	0.0	-66.89	428.09	9.57	-57.32
CC(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558607	0	60	0.0	-69.96	428.29	9.49	-60.47
CC(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558608	0	58	0.0	-40.98	408.22	10.10	-30.88
CC(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558609	0	58	0.0	-78.86	406.74	10.18	-68.68
COC1=CC=C(CC(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012558610	0	58	0.0	-70.62	435.66	8.57	-62.05
C=CCSCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558611	0	52	0.0	-65.64	405.33	8.09	-57.55
CC(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558612	0	55	0.0	-68.98	426.83	9.63	-59.35
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)[NH+]1CCC(C)CC1	REAL300012558613	0	53	0.0	-68.79	375.54	9.65	-59.14
COC1(C(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])CCC1	REAL300012558614	0	55	0.0	-65.10	394.52	5.93	-59.17
CC(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)[NH+]1CCC(C)CC1	REAL300012558615	0	57	0.0	-71.11	411.29	9.63	-61.48
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)[NH+]1CCC(C)CC1	REAL300012558616	0	58	0.0	-69.90	416.79	10.73	-59.17
CC(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)[NH+]1CCC(C)CC1	REAL300012558617	0	51	0.0	-73.99	382.25	8.16	-65.83
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[NH+]1CCC(C)CC1	REAL300012558619	0	63	0.0	-69.04	459.93	10.62	-58.42
CC(C)C1=CC=C(C(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012558620	0	60	0.0	-67.52	443.75	10.30	-57.22
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558621	0	48	0.0	-71.93	352.84	8.20	-63.73
CC(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558622	0	50	0.0	-42.22	364.11	9.34	-32.88
CC(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558623	0	54	0.0	-74.42	384.26	9.13	-65.29
CCOC1=CC=C(C(NC(=O)NCC(C)[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012558624	0	58	0.0	-68.76	434.47	8.54	-60.22
CC(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558625	0	58	0.0	-77.79	404.62	11.15	-66.64
CC(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)[NH+]1CCC(C)CC1	REAL300012558626	0	58	0.0	-66.79	424.57	10.24	-56.55
CC(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558627	0	58	0.0	-75.05	426.18	9.34	-65.71
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558628	0	54	0.0	-74.26	420.34	9.29	-64.97
CC(C)CCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558629	0	56	0.0	-68.37	407.32	8.29	-60.08
CC(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558630	0	55	0.0	-46.81	396.21	10.01	-36.80
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558631	0	55	0.0	-69.49	401.76	6.29	-63.20
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[NH+]2CCC(C)CC2)C1	REAL300012558632	0	52	0.0	-73.79	389.64	9.30	-64.49
CC(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)[NH+]1CCC(C)CC1	REAL300012558633	0	55	0.0	-75.37	382.95	9.07	-66.30
CC(CNC(=O)NC1(C(=O)[O-])CCC2CC21)[NH+]1CCC(C)CC1	REAL300012558634	0	52	0.0	-74.96	370.45	8.23	-66.73
CC(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)[NH+]1CCC(C)CC1	REAL300012558635	0	55	0.0	-72.31	391.37	8.55	-63.76
CC(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558636	0	57	0.0	-65.88	416.88	11.62	-54.26
CC(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)[NH+]1CCC(C)CC1	REAL300012558637	0	61	0.0	-46.63	425.26	10.98	-35.65
CC(CNC(=O)NC(C(=O)[O-])C1CCCC1)[NH+]1CCC(C)CC1	REAL300012558638	0	54	0.0	-66.95	384.12	7.87	-59.08
CO[C@H](C)[C@H](NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558639	0	51	0.0	-69.21	377.47	5.53	-63.68
CC(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[NH+]1CCC(C)CC1	REAL300012558640	0	51	0.0	-75.84	370.62	7.96	-67.88
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300012558641	0	54	0.0	-51.44	404.51	11.03	-40.41
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558642	0	54	0.0	-50.70	389.85	9.10	-41.60
CC(CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558643	0	55	0.0	-54.71	412.45	11.10	-43.61
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558644	0	51	0.0	-76.75	368.54	9.23	-67.52
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558645	0	48	0.0	-76.80	359.71	8.67	-68.13
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558646	0	54	0.0	-70.68	412.87	9.35	-61.33
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558647	0	51	0.0	-67.78	396.99	8.18	-59.60
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558648	0	51	0.0	-68.86	375.90	8.88	-59.98
CC(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[NH+]1CCC(C)CC1	REAL300012558649	0	55	0.0	-72.79	410.92	8.98	-63.81
CC(CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558650	0	59	0.0	-72.02	437.02	11.00	-61.02
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558651	0	51	0.0	-67.78	396.99	8.18	-59.60
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558652	0	55	0.0	-77.01	385.24	9.24	-67.77
COCCCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558653	0	54	0.0	-68.09	402.75	6.06	-62.03
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)[NH+]1CCC(C)CC1	REAL300012558654	0	53	0.0	-66.88	379.94	9.02	-57.86
CCOCC(NC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012558655	0	51	0.0	-70.28	381.30	5.43	-64.85
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558656	0	56	0.0	-67.99	398.42	8.61	-59.38
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[NH+]1CCC(C)CC1	REAL300012558657	0	55	0.0	-71.88	399.20	6.85	-65.03
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[NH+]1CCC(C)CC1	REAL300012558658	0	55	0.0	-70.75	403.41	9.87	-60.88
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558659	0	52	0.0	-76.57	370.75	8.13	-68.44
CC(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558660	0	54	0.0	-69.43	389.00	9.13	-60.30
CC(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558661	0	48	0.0	-71.32	368.45	6.72	-64.60
CC(CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[NH+]1CCC(C)CC1	REAL300012558662	0	65	0.0	-74.33	440.50	10.40	-63.93
CC(CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558663	0	57	0.0	-71.82	435.83	9.56	-62.26
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[NH+]1CCC(C)CC1	REAL300012558664	0	51	0.0	-51.32	380.73	8.93	-42.39
CC(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558665	0	62	0.0	-76.72	421.43	10.07	-66.65
CC(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300012558666	0	53	0.0	-70.81	417.00	7.90	-62.91
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[NH+]2CCC(C)CC2)C1	REAL300012558667	0	55	0.0	-70.51	403.48	8.35	-62.16
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOCC2CCCO2)CC1	REAL300012558881	0	58	0.0	-66.21	438.59	4.67	-61.54
CC(C)C[C@H](NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559163	0	53	0.0	-71.37	390.82	7.57	-63.80
CC(C)C[C@H](NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559163	1	53	0.0	-68.09	383.12	7.61	-60.48
C=CCOCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559164	0	52	0.0	-74.34	398.74	6.07	-68.27
C=CCOCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559164	1	52	0.0	-73.43	398.75	6.08	-67.35
C=CC(C)C(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559165	0	51	0.0	-72.41	376.95	7.19	-65.22
C=CC(C)C(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559165	1	51	0.0	-71.19	383.67	7.42	-63.77
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012559166	0	55	0.0	-75.61	396.63	6.07	-69.54
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012559166	1	55	0.0	-73.83	396.06	6.13	-67.70
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012559167	0	51	0.0	-67.22	400.79	8.55	-58.67
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012559167	1	51	0.0	-67.08	400.37	8.50	-58.58
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012559168	0	51	0.0	-67.58	410.92	8.92	-58.66
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012559168	1	51	0.0	-67.59	410.86	8.92	-58.67
COC1CCN(C(=O)NCC2CCC[N@@H+](C(C)C)C2)C(C(=O)[O-])C1	REAL300012559169	0	55	0.0	-82.20	394.59	8.44	-73.76
COC1CCN(C(=O)NCC2CCC[N@H+](C(C)C)C2)C(C(=O)[O-])C1	REAL300012559169	1	55	0.0	-81.21	392.38	8.37	-72.84
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012559170	0	55	0.0	-70.66	400.10	6.37	-64.29
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012559170	1	55	0.0	-69.33	396.04	6.18	-63.15
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(C)CC2C(=O)[O-])C1	REAL300012559171	0	54	0.0	-80.37	375.85	9.53	-70.84
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(C)CC2C(=O)[O-])C1	REAL300012559171	1	54	0.0	-81.81	376.43	9.82	-71.99
CC1=CC(C(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])=CC=C1F	REAL300012559172	0	54	0.0	-69.34	415.00	9.04	-60.30
CC1=CC(C(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])=CC=C1F	REAL300012559172	1	54	0.0	-69.54	414.41	9.08	-60.46
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012559173	0	56	0.0	-68.81	416.72	8.19	-60.62
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012559173	1	56	0.0	-73.06	423.98	8.28	-64.78
CC1=CC(C)=CC(C(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])=C1	REAL300012559174	0	57	0.0	-70.15	424.01	9.72	-60.43
CC1=CC(C)=CC(C(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])=C1	REAL300012559174	1	57	0.0	-69.96	423.62	9.67	-60.29
CC1=CC=C(C(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1C	REAL300012559175	0	57	0.0	-73.22	426.44	9.63	-63.59
CC1=CC=C(C(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])C=C1C	REAL300012559175	1	57	0.0	-73.22	426.45	9.63	-63.59
COC1=CC=C(C(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1Cl	REAL300012559176	0	55	0.0	-70.49	433.61	8.29	-62.20
COC1=CC=C(C(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])C=C1Cl	REAL300012559176	1	55	0.0	-70.97	433.79	8.21	-62.76
CC1=CC=CC(C(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])=C1C	REAL300012559177	0	57	0.0	-71.97	417.35	9.36	-62.61
CC1=CC=CC(C(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])=C1C	REAL300012559177	1	57	0.0	-72.81	417.34	9.37	-63.44
COC1=CC=C(C(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1F	REAL300012559178	0	55	0.0	-70.87	423.80	7.80	-63.07
COC1=CC=C(C(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])C=C1F	REAL300012559178	1	55	0.0	-71.27	423.98	7.72	-63.55
CC(C)[N@@H+]1CCCC(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)C1	REAL300012559179	0	54	0.0	-60.26	384.33	9.18	-51.08
CC(C)[N@H+]1CCCC(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)C1	REAL300012559179	1	54	0.0	-58.70	384.50	9.30	-49.40
CCCN(C(=O)NCC1CCC[N@@H+](C(C)C)C1)C(COC)C(=O)[O-]	REAL300012559180	0	57	0.0	-70.82	409.13	8.41	-62.41
CCCN(C(=O)NCC1CCC[N@H+](C(C)C)C1)C(COC)C(=O)[O-]	REAL300012559180	1	57	0.0	-74.92	414.41	9.76	-65.16
CCCN(C(=O)NCC1CCC[N@@H+](C(C)C)C1)C(CC)C(=O)[O-]	REAL300012559181	0	56	0.0	-70.15	398.60	9.86	-60.29
CCCN(C(=O)NCC1CCC[N@H+](C(C)C)C1)C(CC)C(=O)[O-]	REAL300012559181	1	56	0.0	-55.63	394.65	10.53	-45.10
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012559182	0	51	0.0	-80.04	361.74	9.19	-70.85
CC(C)[N@H+]1CCCC(CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012559182	1	51	0.0	-79.81	361.77	9.20	-70.61
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012559183	0	51	0.0	-68.46	404.38	8.89	-59.57
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012559183	1	51	0.0	-69.03	405.04	8.86	-60.17
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012559184	0	49	0.0	-77.87	361.77	9.20	-68.67
CC(C)[N@H+]1CCCC(CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012559184	1	49	0.0	-78.30	361.97	9.28	-69.02
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012559185	0	54	0.0	-71.30	374.77	8.46	-62.84
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012559185	1	54	0.0	-74.59	381.66	8.48	-66.11
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012559186	0	51	0.0	-75.40	367.15	7.39	-68.01
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012559186	1	51	0.0	-74.58	367.15	7.38	-67.20
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012559187	0	57	0.0	-71.90	380.43	9.13	-62.77
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012559187	1	57	0.0	-75.27	387.32	9.15	-66.12
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559188	0	54	0.0	-72.18	409.67	9.30	-62.88
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559188	1	54	0.0	-72.85	410.56	9.28	-63.57
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012559189	0	54	0.0	-60.11	409.00	11.08	-49.03
CC(C)[N@H+]1CCCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012559189	1	54	0.0	-60.07	409.06	11.09	-48.98
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559190	0	51	0.0	-73.10	388.08	8.43	-64.67
CC(C)[N@H+]1CCCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559190	1	51	0.0	-72.35	388.07	8.43	-63.92
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559191	0	51	0.0	-72.71	388.25	8.34	-64.37
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559191	1	51	0.0	-72.66	388.31	8.34	-64.32
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559192	0	54	0.0	-72.18	409.67	9.30	-62.88
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559192	1	54	0.0	-72.85	410.56	9.28	-63.57
CCC(C)C(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559193	0	53	0.0	-73.07	387.12	7.48	-65.59
CCC(C)C(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559193	1	53	0.0	-72.23	382.65	7.28	-64.95
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012559194	0	51	0.0	-80.04	361.74	9.19	-70.85
CC(C)[N@H+]1CCCC(CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012559194	1	51	0.0	-79.81	361.77	9.20	-70.61
CCCC(C)(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559195	0	53	0.0	-70.86	377.75	7.39	-63.47
CCCC(C)(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559195	1	53	0.0	-66.76	370.91	7.38	-59.38
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C(C)C)C1	REAL300012559196	0	53	0.0	-59.33	385.96	9.13	-50.20
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C(C)C)C1	REAL300012559196	1	53	0.0	-59.84	386.21	9.36	-50.48
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012559197	0	55	0.0	-81.06	399.91	11.35	-69.71
CC(C)[N@H+]1CCCC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012559197	1	55	0.0	-81.57	400.38	11.43	-70.14
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012559198	0	51	0.0	-73.25	365.75	7.40	-65.85
CC(C)[N@H+]1CCCC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012559198	1	51	0.0	-72.34	365.77	7.41	-64.93
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012559199	0	48	0.0	-71.56	379.89	7.43	-64.13
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012559199	1	48	0.0	-67.06	372.83	7.48	-59.58
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012559200	0	54	0.0	-71.30	374.77	8.46	-62.84
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012559200	1	54	0.0	-74.59	381.66	8.48	-66.11
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012559201	0	54	0.0	-56.03	425.80	11.61	-44.42
CC(C)[N@H+]1CCCC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012559201	1	54	0.0	-55.41	418.93	11.58	-43.83
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012559202	0	58	0.0	-73.46	438.78	9.39	-64.07
CC(C)[N@H+]1CCCC(CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012559202	1	58	0.0	-74.86	439.63	9.37	-65.49
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559203	0	53	0.0	-71.98	383.38	7.23	-64.75
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559203	1	53	0.0	-68.09	374.83	7.18	-60.91
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012559204	0	51	0.0	-75.40	367.15	7.39	-68.01
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012559204	1	51	0.0	-74.58	367.15	7.38	-67.20
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012559205	0	54	0.0	-56.19	415.47	11.15	-45.04
CC(C)[N@H+]1CCCC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012559205	1	54	0.0	-55.59	408.60	11.13	-44.46
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012559206	0	55	0.0	-71.25	400.88	9.57	-61.68
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012559206	1	55	0.0	-74.75	407.65	9.66	-65.09
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012559207	0	51	0.0	-73.42	399.13	8.50	-64.92
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012559207	1	51	0.0	-72.61	399.15	8.51	-64.10
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559208	0	54	0.0	-72.95	396.10	9.12	-63.83
CC(C)[N@H+]1CCCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559208	1	54	0.0	-72.94	396.10	9.13	-63.81
CCCCCCC(C)(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559209	0	62	0.0	-71.01	442.25	9.73	-61.28
CCCCCCC(C)(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559209	1	62	0.0	-66.89	435.41	9.71	-57.18
CC(C)[N@@H+]1CCCC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559210	0	57	0.0	-71.91	421.15	11.24	-60.67
CC(C)[N@H+]1CCCC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559210	1	57	0.0	-71.16	419.72	11.38	-59.78
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012559211	0	51	0.0	-68.46	404.38	8.89	-59.57
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012559211	1	51	0.0	-69.03	405.04	8.86	-60.17
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012559212	0	49	0.0	-77.77	353.37	6.78	-70.99
CC(C)[N@H+]1CCCC(CNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012559212	1	49	0.0	-77.92	353.25	6.88	-71.04
CC(C)[N@@H+]1CCCC(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012559213	0	57	0.0	-76.27	390.89	9.80	-66.47
CC(C)[N@H+]1CCCC(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012559213	1	57	0.0	-72.00	384.04	9.77	-62.23
CC(C)[N@@H+]1CCCC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012559214	0	57	0.0	-59.20	431.48	11.86	-47.34
CC(C)[N@H+]1CCCC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012559214	1	57	0.0	-60.92	431.47	11.87	-49.05
CC(C)[N@@H+]1CCCC(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559215	0	54	0.0	-70.24	396.25	9.99	-60.25
CC(C)[N@H+]1CCCC(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559215	1	54	0.0	-76.93	396.89	10.31	-66.62
COCCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C(C)C)C1	REAL300012559216	0	51	0.0	-58.98	381.45	7.26	-51.72
COCCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C(C)C)C1	REAL300012559216	1	51	0.0	-60.58	381.44	7.26	-53.32
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012559217	0	55	0.0	-77.53	402.84	9.42	-68.11
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012559217	1	55	0.0	-72.36	396.13	9.42	-62.94
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012559218	0	51	0.0	-80.02	361.67	9.16	-70.86
CC(C)[N@H+]1CCCC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012559218	1	51	0.0	-79.99	361.88	9.21	-70.78
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012559219	0	51	0.0	-77.72	367.97	8.73	-68.99
CC(C)[N@H+]1CCCC(CNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012559219	1	51	0.0	-77.68	368.10	8.72	-68.96
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012559220	0	58	0.0	-79.82	444.20	9.29	-70.53
CC(C)[N@H+]1CCCC(CNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012559220	1	58	0.0	-75.37	437.57	9.20	-66.17
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012559221	0	54	0.0	-79.91	375.01	9.83	-70.08
CC(C)[N@H+]1CCCC(CNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012559221	1	54	0.0	-79.37	376.70	10.13	-69.24
CCCCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559222	0	53	0.0	-70.33	394.29	7.84	-62.49
CCCCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559222	1	53	0.0	-67.54	388.27	7.79	-59.75
CC(C)[N@@H+]1CCCC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012559223	0	57	0.0	-59.20	431.48	11.86	-47.34
CC(C)[N@H+]1CCCC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012559223	1	57	0.0	-60.92	431.47	11.87	-49.05
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012559224	0	51	0.0	-72.59	361.11	8.68	-63.91
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012559224	1	51	0.0	-77.74	368.01	8.72	-69.02
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012559225	0	54	0.0	-57.42	386.38	9.64	-47.78
CC(C)[N@H+]1CCCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012559225	1	54	0.0	-57.03	379.53	9.63	-47.40
COCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559226	0	48	0.0	-73.44	363.98	4.51	-68.93
COCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559226	1	48	0.0	-69.34	357.13	4.49	-64.85
CCCCCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559227	0	56	0.0	-70.31	415.79	8.62	-61.69
CCCCCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559227	1	56	0.0	-67.08	409.52	8.63	-58.45
CCC1CCC(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)(C(=O)[O-])CC1	REAL300012559228	0	60	0.0	-71.57	414.36	9.03	-62.54
CCC1CCC(NC(=O)NCC2CCC[N@H+](C(C)C)C2)(C(=O)[O-])CC1	REAL300012559228	1	60	0.0	-74.58	420.71	9.74	-64.84
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012559229	0	55	0.0	-57.85	394.89	7.98	-49.87
CC(C)[N@H+]1CCCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012559229	1	55	0.0	-59.61	394.88	7.98	-51.63
CC(C)[N@@H+]1CCCC(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012559230	0	54	0.0	-77.15	377.57	9.09	-68.06
CC(C)[N@H+]1CCCC(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012559230	1	54	0.0	-78.29	377.75	9.10	-69.19
CC(C)[N@@H+]1CCCC(CNC(=O)N(C(C)C(=O)[O-])C2CC2)C1	REAL300012559231	0	51	0.0	-60.20	368.52	8.75	-51.45
CC(C)[N@H+]1CCCC(CNC(=O)N(C(C)C(=O)[O-])C2CC2)C1	REAL300012559231	1	51	0.0	-58.29	369.37	8.81	-49.48
CCC(C(=O)[O-])N(C(=O)NCC1CCC[N@@H+](C(C)C)C1)C1CC1	REAL300012559232	0	54	0.0	-68.69	379.74	9.43	-59.26
CCC(C(=O)[O-])N(C(=O)NCC1CCC[N@H+](C(C)C)C1)C1CC1	REAL300012559232	1	54	0.0	-58.82	390.00	9.95	-48.87
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012559233	0	51	0.0	-74.72	401.03	8.80	-65.92
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012559233	1	51	0.0	-75.06	400.24	8.79	-66.27
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012559234	0	51	0.0	-77.20	391.84	8.43	-68.77
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012559234	1	51	0.0	-78.98	392.70	8.43	-70.55
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012559235	0	55	0.0	-60.95	403.10	10.76	-50.19
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012559235	1	55	0.0	-60.01	396.32	10.73	-49.28
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012559236	0	54	0.0	-74.96	424.85	9.62	-65.34
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012559236	1	54	0.0	-70.91	423.72	9.35	-61.56
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012559237	0	60	0.0	-75.50	453.24	11.32	-64.18
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012559237	1	60	0.0	-76.44	454.21	11.36	-65.08
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012559238	0	60	0.0	-71.30	432.20	9.54	-61.76
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012559238	1	60	0.0	-72.26	432.21	9.55	-62.71
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012559239	0	57	0.0	-56.87	421.26	11.71	-45.16
CC(C)[N@H+]1CCCC(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012559239	1	57	0.0	-59.38	416.69	11.17	-48.21
CC1=CC=C(C(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300012559240	0	54	0.0	-72.76	409.66	9.01	-63.75
CC1=CC=C(C(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300012559240	1	54	0.0	-72.37	409.48	9.10	-63.27
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012559241	0	47	0.0	-64.92	367.24	6.99	-57.93
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012559241	1	47	0.0	-65.79	367.82	7.06	-58.73
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012559242	0	57	0.0	-74.72	434.06	10.69	-64.03
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012559242	1	57	0.0	-74.44	433.67	10.64	-63.80
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012559243	0	52	0.0	-67.60	372.45	8.15	-59.45
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012559243	1	52	0.0	-70.67	379.34	8.14	-62.53
COCC(C)(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559244	0	51	0.0	-75.79	374.50	5.93	-69.86
COCC(C)(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559244	1	51	0.0	-71.66	367.65	5.91	-65.75
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C(C)C)C1	REAL300012559245	0	54	0.0	-68.77	394.48	7.56	-61.21
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C(C)C)C1	REAL300012559245	1	54	0.0	-69.63	393.72	7.66	-61.97
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C(C)C)C1	REAL300012559246	0	53	0.0	-59.33	385.96	9.13	-50.20
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C(C)C)C1	REAL300012559246	1	53	0.0	-59.84	386.21	9.36	-50.48
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C(C)C)C1	REAL300012559247	0	60	0.0	-54.74	436.59	12.10	-42.64
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C(C)C)C1	REAL300012559247	1	60	0.0	-57.01	434.74	12.29	-44.72
CC(C)[N@@H+]1CCCC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012559248	0	50	0.0	-57.89	389.67	9.21	-48.68
CC(C)[N@H+]1CCCC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012559248	1	50	0.0	-59.61	389.69	9.22	-50.39
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012559249	0	49	0.0	-71.21	357.73	4.82	-66.39
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012559249	1	49	0.0	-70.53	357.89	4.79	-65.74
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012559250	0	57	0.0	-73.29	405.19	8.55	-64.74
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012559250	1	57	0.0	-72.59	410.79	8.75	-63.84
CC(C)[N@@H+]1CCCC(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012559251	0	58	0.0	-69.94	422.27	9.06	-60.88
CC(C)[N@H+]1CCCC(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012559251	1	58	0.0	-69.36	422.29	9.07	-60.29
CC(C)[N@@H+]1CCCC(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012559252	0	58	0.0	-74.69	420.81	12.25	-62.44
CC(C)[N@H+]1CCCC(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012559252	1	58	0.0	-80.61	427.67	12.28	-68.33
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012559253	0	52	0.0	-70.62	366.20	5.96	-64.66
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012559253	1	52	0.0	-73.76	373.08	5.98	-67.78
C=CCCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559254	0	51	0.0	-70.01	385.62	7.61	-62.40
C=CCCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559254	1	51	0.0	-66.96	379.34	7.63	-59.33
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C1	REAL300012559255	0	57	0.0	-55.68	416.34	12.05	-43.63
CC(C)[N@H+]1CCCC(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C1	REAL300012559255	1	57	0.0	-52.13	416.84	12.10	-40.03
CCC(CC)(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559256	0	53	0.0	-71.83	372.96	7.54	-64.29
CCC(CC)(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559256	1	53	0.0	-68.54	366.08	7.51	-61.03
COC1=CC=C(C(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300012559257	0	55	0.0	-72.40	417.75	7.64	-64.76
COC1=CC=C(C(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300012559257	1	55	0.0	-72.74	417.53	7.72	-65.02
CCC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C(C)C)C1	REAL300012559258	0	53	0.0	-58.17	383.70	9.56	-48.61
CCC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C(C)C)C1	REAL300012559258	1	53	0.0	-55.81	376.52	9.50	-46.31
CCC(COC)(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559259	0	54	0.0	-77.20	390.94	6.85	-70.35
CCC(COC)(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559259	1	54	0.0	-72.00	384.09	6.82	-65.18
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C(C)C)C1	REAL300012559260	0	57	0.0	-70.21	415.38	8.42	-61.79
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C(C)C)C1	REAL300012559260	1	57	0.0	-70.10	414.17	8.53	-61.57
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012559261	0	54	0.0	-75.67	398.05	4.46	-71.21
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012559261	1	54	0.0	-75.69	398.21	4.47	-71.22
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012559262	0	51	0.0	-70.26	382.89	7.83	-62.43
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012559262	1	51	0.0	-71.11	384.26	7.72	-63.39
COCCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559263	0	51	0.0	-71.12	385.82	5.34	-65.78
COCCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559263	1	51	0.0	-67.88	378.94	5.30	-62.58
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C(C)C)C1	REAL300012559264	0	56	0.0	-70.16	401.35	9.68	-60.48
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C(C)C)C1	REAL300012559264	1	56	0.0	-67.65	400.97	9.65	-58.00
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012559265	0	47	0.0	-69.74	363.66	6.57	-63.17
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012559265	1	47	0.0	-66.61	357.38	6.60	-60.01
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@@H+](C(C)C)C1	REAL300012559266	0	57	0.0	-77.61	403.23	10.39	-67.22
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@H+](C(C)C)C1	REAL300012559266	1	57	0.0	-77.82	405.46	10.56	-67.26
CCCN(C(=O)NCC1CCC[N@@H+](C(C)C)C1)C(C)C(=O)[O-]	REAL300012559267	0	53	0.0	-51.90	374.89	9.66	-42.24
CCCN(C(=O)NCC1CCC[N@H+](C(C)C)C1)C(C)C(=O)[O-]	REAL300012559267	1	53	0.0	-53.04	373.18	9.59	-43.45
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012559268	0	57	0.0	-53.91	416.89	11.79	-42.12
CC(C)[N@H+]1CCCC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012559268	1	57	0.0	-55.52	420.88	11.97	-43.55
CCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012559269	0	57	0.0	-70.45	429.71	10.52	-59.93
CCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012559269	1	57	0.0	-70.46	429.81	10.56	-59.90
CCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012559270	0	57	0.0	-73.72	412.98	9.99	-63.73
CCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012559270	1	57	0.0	-74.59	412.99	9.99	-64.60
COC1CCCC(C(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C1	REAL300012559271	0	61	0.0	-74.40	441.31	7.75	-66.65
COC1CCCC(C(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])C1	REAL300012559271	1	61	0.0	-70.76	435.26	7.60	-63.16
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012559272	0	47	0.0	-69.04	357.90	6.42	-62.62
CC(C)[N@H+]1CCCC(CNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012559272	1	47	0.0	-66.54	351.86	6.38	-60.16
COC1(CC(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])CCC1	REAL300012559273	0	58	0.0	-71.29	419.87	7.59	-63.70
COC1(CC(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])CCC1	REAL300012559273	1	58	0.0	-72.54	422.64	7.70	-64.84
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012559274	0	55	0.0	-57.85	394.89	7.98	-49.87
CC(C)[N@H+]1CCCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012559274	1	55	0.0	-59.61	394.88	7.98	-51.63
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012559275	0	57	0.0	-57.90	403.79	10.35	-47.55
CC(C)[N@H+]1CCCC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012559275	1	57	0.0	-57.38	396.90	10.33	-47.05
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300012559276	0	57	0.0	-70.35	388.57	8.84	-61.51
CC(C)[N@H+]1CCCC(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300012559276	1	57	0.0	-74.84	395.46	8.86	-65.98
COC1=CC=CC(C(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])=C1	REAL300012559277	0	55	0.0	-74.46	417.17	7.66	-66.80
COC1=CC=CC(C(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])=C1	REAL300012559277	1	55	0.0	-74.63	417.57	7.73	-66.90
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012559278	0	50	0.0	-67.60	362.84	6.78	-60.82
CC(C)[N@H+]1CCCC(CNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012559278	1	50	0.0	-68.50	362.86	6.80	-61.70
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012559279	0	52	0.0	-60.76	378.93	8.93	-51.83
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012559279	1	52	0.0	-60.44	378.92	8.91	-51.53
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012559280	0	48	0.0	-67.73	357.77	7.99	-59.74
CC(C)[N@H+]1CCCC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012559280	1	48	0.0	-70.92	364.64	8.03	-62.89
COC1=CC=CC([C@H](NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])=C1	REAL300012559281	0	55	0.0	-75.02	417.77	7.63	-67.39
COC1=CC=CC([C@H](NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])=C1	REAL300012559281	1	55	0.0	-75.65	417.77	7.64	-68.01
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](C(C)C)C2)C1	REAL300012559282	0	57	0.0	-75.41	418.08	9.20	-66.21
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2CCC[N@H+](C(C)C)C2)C1	REAL300012559282	1	57	0.0	-78.28	416.49	9.85	-68.43
COC1=CC=CC(CC(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])=C1	REAL300012559283	0	58	0.0	-75.61	439.75	8.65	-66.96
COC1=CC=CC(CC(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])=C1	REAL300012559283	1	58	0.0	-76.80	440.01	8.58	-68.22
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012559284	0	60	0.0	-76.83	409.55	9.36	-67.47
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012559284	1	60	0.0	-76.88	409.56	9.34	-67.54
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012559285	0	49	0.0	-77.96	351.31	8.79	-69.17
CC(C)[N@H+]1CCCC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012559285	1	49	0.0	-78.11	351.61	8.78	-69.33
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012559286	0	57	0.0	-70.96	430.40	10.00	-60.96
CC(C)[N@H+]1CCCC(CNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012559286	1	57	0.0	-70.03	430.44	9.99	-60.04
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012559287	0	56	0.0	-72.41	417.44	9.77	-62.64
CC(C)[N@H+]1CCCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012559287	1	56	0.0	-71.85	417.46	9.77	-62.08
COC1CN(C(=O)NCC2CCC[N@@H+](C(C)C)C2)C(C)(C(=O)[O-])C1	REAL300012559288	0	55	0.0	-76.51	399.91	7.76	-68.75
COC1CN(C(=O)NCC2CCC[N@H+](C(C)C)C2)C(C)(C(=O)[O-])C1	REAL300012559288	1	55	0.0	-73.02	394.42	7.67	-65.35
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012559289	0	58	0.0	-70.47	419.33	7.79	-62.68
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012559289	1	58	0.0	-71.79	423.54	7.11	-64.68
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012559290	0	53	0.0	-70.83	381.33	7.39	-63.44
CC(C)[N@H+]1CCCC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012559290	1	53	0.0	-68.27	374.43	7.37	-60.90
C=C(Cl)CC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559291	0	48	0.0	-67.66	380.35	7.46	-60.20
C=C(Cl)CC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559291	1	48	0.0	-63.65	373.50	7.43	-56.22
C=C(C)CC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559292	0	51	0.0	-72.03	385.01	7.64	-64.39
C=C(C)CC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559292	1	51	0.0	-71.09	382.64	7.82	-63.27
CC(C)[N@@H+]1CCCC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012559293	0	52	0.0	-85.07	373.01	9.62	-75.45
CC(C)[N@H+]1CCCC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012559293	1	52	0.0	-83.01	371.01	9.65	-73.36
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012559294	0	57	0.0	-71.59	420.09	9.55	-62.04
CC(C)[N@H+]1CCCC(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012559294	1	57	0.0	-70.66	420.12	9.54	-61.12
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012559295	0	48	0.0	-70.50	363.86	8.35	-62.15
CC(C)[N@H+]1CCCC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012559295	1	48	0.0	-67.32	356.98	8.31	-59.01
CC(C)[N@@H+]1CCCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012559296	0	48	0.0	-70.64	350.46	8.23	-62.41
CC(C)[N@H+]1CCCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012559296	1	48	0.0	-75.57	357.38	8.27	-67.30
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](C(C)C)C2)C1	REAL300012559297	0	49	0.0	-77.30	365.11	8.24	-69.06
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+](C(C)C)C2)C1	REAL300012559297	1	49	0.0	-78.18	365.10	8.24	-69.94
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012559298	0	58	0.0	-72.18	419.33	7.74	-64.44
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012559298	1	58	0.0	-67.38	412.25	7.78	-59.60
CC(C)C[C@H](NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559299	0	53	0.0	-71.37	390.82	7.57	-63.80
CC(C)C[C@H](NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559299	1	53	0.0	-68.09	383.12	7.61	-60.48
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012559300	0	55	0.0	-75.61	396.63	6.07	-69.54
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012559300	1	55	0.0	-73.83	396.06	6.13	-67.70
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559301	0	51	0.0	-72.71	388.25	8.34	-64.37
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559301	1	51	0.0	-72.66	388.31	8.34	-64.32
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012559302	0	51	0.0	-70.26	382.89	7.83	-62.43
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012559302	1	51	0.0	-71.11	384.26	7.72	-63.39
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012559303	0	50	0.0	-69.31	396.27	6.46	-62.85
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012559303	1	50	0.0	-71.73	397.30	6.41	-65.32
CC(C)CCCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559304	0	59	0.0	-70.27	433.38	9.12	-61.15
CC(C)CCCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559304	1	59	0.0	-67.11	427.09	9.15	-57.96
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012559305	0	57	0.0	-75.35	440.02	9.73	-65.62
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012559305	1	57	0.0	-70.67	440.19	9.75	-60.92
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012559306	0	55	0.0	-70.80	405.52	7.19	-63.61
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012559306	1	55	0.0	-71.42	401.23	6.70	-64.72
CSCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559307	0	48	0.0	-69.56	375.81	6.61	-62.95
CSCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559307	1	48	0.0	-65.50	368.97	6.59	-58.91
COC[C@H](NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559308	0	48	0.0	-72.03	363.49	4.50	-67.53
COC[C@H](NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559308	1	48	0.0	-73.20	363.85	4.57	-68.63
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012559309	0	54	0.0	-71.30	416.95	9.35	-61.95
CC(C)[N@H+]1CCCC(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012559309	1	54	0.0	-70.61	416.97	9.35	-61.26
CCC(C)CC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559310	0	56	0.0	-72.65	409.17	8.24	-64.41
CCC(C)CC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559310	1	56	0.0	-67.85	402.09	8.27	-59.58
C=CCCCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559311	0	54	0.0	-69.85	407.10	8.40	-61.45
C=CCCCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559311	1	54	0.0	-67.17	400.84	8.42	-58.75
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012559312	0	54	0.0	-69.93	416.10	9.37	-60.56
CC(C)[N@H+]1CCCC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012559312	1	54	0.0	-67.61	410.03	9.32	-58.29
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012559313	0	57	0.0	-75.89	428.10	10.53	-65.36
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012559313	1	57	0.0	-76.36	427.93	10.52	-65.84
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012559314	0	49	0.0	-77.87	361.77	9.20	-68.67
CC(C)[N@H+]1CCCC(CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012559314	1	49	0.0	-78.30	361.97	9.28	-69.02
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559315	0	54	0.0	-72.95	396.10	9.12	-63.83
CC(C)[N@H+]1CCCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559315	1	54	0.0	-72.94	396.10	9.13	-63.81
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012559316	0	52	0.0	-83.24	372.36	9.73	-73.51
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012559316	1	52	0.0	-83.38	372.46	9.74	-73.64
CCN(C(=O)NCC1CCC[N@@H+](C(C)C)C1)C(C)(C)C(=O)[O-]	REAL300012559317	0	53	0.0	-74.02	376.79	9.02	-65.00
CCN(C(=O)NCC1CCC[N@H+](C(C)C)C1)C(C)(C)C(=O)[O-]	REAL300012559317	1	53	0.0	-73.99	376.81	9.02	-64.97
CCCN(C(=O)NCC1CCC[N@@H+](C(C)C)C1)C(C)C(=O)[O-]	REAL300012559318	0	53	0.0	-51.90	374.89	9.66	-42.24
CCCN(C(=O)NCC1CCC[N@H+](C(C)C)C1)C(C)C(=O)[O-]	REAL300012559318	1	53	0.0	-53.04	373.18	9.59	-43.45
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012559319	0	47	0.0	-72.75	357.09	8.35	-64.40
CC(C)[N@H+]1CCCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012559319	1	47	0.0	-66.66	364.68	8.58	-58.08
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012559320	0	47	0.0	-72.75	357.09	8.35	-64.40
CC(C)[N@H+]1CCCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012559320	1	47	0.0	-66.66	364.68	8.58	-58.08
CC(C)[N@@H+]1CCCC(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012559321	0	60	0.0	-58.84	438.39	6.56	-52.28
CC(C)[N@H+]1CCCC(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012559321	1	60	0.0	-60.60	438.40	6.56	-54.04
CC(C)[N@@H+]1CCCC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012559322	0	49	0.0	-76.04	356.02	4.45	-71.59
CC(C)[N@H+]1CCCC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012559322	1	49	0.0	-79.24	362.90	4.49	-74.75
CC(C)[N@@H+]1CCCC(CNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])C1	REAL300012559323	1	64	0.0	-58.58	463.58	6.43	-52.15
CC(C)[N@H+]1CCCC(CNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])C1	REAL300012559323	1	64	0.0	-60.38	463.60	6.43	-53.95
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CCC[N@@H+](C(C)C)C1	REAL300012559324	0	55	0.0	-57.03	404.28	11.27	-45.76
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CCC[N@H+](C(C)C)C1	REAL300012559324	1	55	0.0	-55.56	404.32	11.26	-44.30
CC(C)[N@@H+]1CCCC(CNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C1	REAL300012559325	0	58	0.0	-61.30	415.14	11.30	-50.00
CC(C)[N@H+]1CCCC(CNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C1	REAL300012559325	1	58	0.0	-62.82	415.27	11.42	-51.40
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012559326	0	56	0.0	-71.81	407.89	9.47	-62.34
CC(C)[N@H+]1CCCC(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012559326	1	56	0.0	-70.46	407.77	9.48	-60.98
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559327	0	51	0.0	-73.10	388.08	8.43	-64.67
CC(C)[N@H+]1CCCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559327	1	51	0.0	-72.35	388.07	8.43	-63.92
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012559328	0	56	0.0	-72.83	428.43	8.29	-64.54
CC(C)[N@H+]1CCCC(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012559328	1	56	0.0	-73.75	428.42	8.29	-65.46
C=CCCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559329	0	51	0.0	-70.01	385.62	7.61	-62.40
C=CCCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559329	1	51	0.0	-66.96	379.34	7.63	-59.33
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012559330	0	50	0.0	-69.31	397.32	6.29	-63.02
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012559330	1	50	0.0	-70.02	397.33	6.28	-63.74
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012559331	0	51	0.0	-66.89	415.75	8.10	-58.79
CC(C)[N@H+]1CCCC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012559331	1	51	0.0	-67.91	416.35	8.16	-59.75
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012559332	0	51	0.0	-86.21	381.27	5.69	-80.52
CC(C)[N@H+]1CCCC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012559332	1	51	0.0	-86.29	381.41	5.74	-80.55
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012559333	0	52	0.0	-71.94	378.96	7.43	-64.51
CC(C)[N@H+]1CCCC(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012559333	1	52	0.0	-72.38	379.25	7.55	-64.83
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012559334	0	51	0.0	-77.75	368.02	8.73	-69.02
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012559334	1	51	0.0	-72.69	361.09	8.70	-63.99
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559335	0	51	0.0	-72.69	388.27	8.34	-64.35
CC(C)[N@H+]1CCCC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012559335	1	51	0.0	-69.78	381.38	8.31	-61.47
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012559336	0	54	0.0	-71.90	401.96	7.73	-64.17
CC(C)[N@H+]1CCCC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012559336	1	54	0.0	-74.03	397.67	7.69	-66.34
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012559337	0	54	0.0	-57.42	386.38	9.64	-47.78
CC(C)[N@H+]1CCCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012559337	1	54	0.0	-57.03	379.53	9.63	-47.40
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559338	0	53	0.0	-71.98	383.38	7.23	-64.75
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559338	1	53	0.0	-68.09	374.83	7.18	-60.91
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012559339	0	52	0.0	-76.41	385.51	4.27	-72.14
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012559339	1	52	0.0	-75.77	385.54	4.25	-71.52
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300012559340	0	60	0.0	-73.65	436.11	7.54	-66.11
CC(C)[N@H+]1CCCC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300012559340	1	60	0.0	-73.72	434.82	7.62	-66.10
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)C1	REAL300012559341	0	54	0.0	-74.52	388.32	7.93	-66.59
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)C1	REAL300012559341	1	54	0.0	-74.30	387.32	7.98	-66.32
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012559342	0	57	0.0	-76.47	396.09	8.62	-67.85
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012559342	1	57	0.0	-76.50	396.09	8.63	-67.87
COCCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559343	0	51	0.0	-71.12	385.82	5.34	-65.78
COCCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559343	1	51	0.0	-67.88	378.94	5.30	-62.58
CC(C)[N@@H+]1CCCC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559344	0	57	0.0	-71.91	421.15	11.24	-60.67
CC(C)[N@H+]1CCCC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559344	1	57	0.0	-71.16	419.72	11.38	-59.78
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012559345	0	54	0.0	-77.02	389.68	8.70	-68.32
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012559345	1	54	0.0	-71.66	382.48	8.66	-63.00
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C1	REAL300012559346	0	61	0.0	-71.99	430.18	10.65	-61.34
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C1	REAL300012559346	1	61	0.0	-76.02	436.96	10.66	-65.36
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012559347	0	51	0.0	-74.46	375.73	7.63	-66.83
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012559347	1	51	0.0	-72.71	377.42	7.36	-65.35
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300012559348	0	60	0.0	-74.30	436.49	7.50	-66.80
CC(C)[N@H+]1CCCC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300012559348	1	60	0.0	-72.67	436.02	7.56	-65.11
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012559349	0	49	0.0	-84.10	361.55	4.67	-79.43
CC(C)[N@H+]1CCCC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012559349	1	49	0.0	-79.11	354.69	4.63	-74.48
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012559350	0	59	0.0	-61.45	423.56	11.85	-49.60
CC(C)[N@H+]1CCCC(CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012559350	1	59	0.0	-62.94	423.60	11.77	-51.17
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012559351	0	52	0.0	-69.54	384.62	5.33	-64.21
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012559351	1	52	0.0	-72.09	378.82	5.31	-66.78
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012559352	0	52	0.0	-81.16	372.82	9.27	-71.89
CC(C)[N@H+]1CCCC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012559352	1	52	0.0	-77.47	366.05	9.29	-68.18
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012559353	0	55	0.0	-78.94	419.82	8.43	-70.51
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012559353	1	55	0.0	-79.65	419.97	8.49	-71.16
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012559354	0	50	0.0	-78.45	364.86	7.08	-71.37
CC(C)[N@H+]1CCCC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012559354	1	50	0.0	-73.83	357.93	7.05	-66.78
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC(C)CCC2C(=O)[O-])C1	REAL300012559355	0	54	0.0	-80.74	383.04	10.04	-70.70
CC(C)[N@H+]1CCCC(CNC(=O)N2CC(C)CCC2C(=O)[O-])C1	REAL300012559355	1	54	0.0	-79.18	382.61	9.78	-69.40
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012559356	0	57	0.0	-70.41	424.56	9.60	-60.81
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012559356	1	57	0.0	-71.84	425.75	9.64	-62.20
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012559357	0	58	0.0	-71.92	420.26	10.08	-61.84
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012559357	1	58	0.0	-72.01	424.53	9.46	-62.55
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012559358	0	51	0.0	-73.01	372.33	7.16	-65.85
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012559358	1	51	0.0	-71.45	371.91	7.24	-64.21
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012559359	0	64	0.0	-74.58	445.50	9.13	-65.45
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012559359	1	64	0.0	-73.64	445.53	9.13	-64.51
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012559360	0	57	0.0	-73.29	405.19	8.55	-64.74
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012559360	1	57	0.0	-72.59	410.79	8.75	-63.84
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012559361	0	51	0.0	-73.01	372.33	7.16	-65.85
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012559361	1	51	0.0	-71.45	371.91	7.24	-64.21
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(C)C2C(=O)[O-])C1	REAL300012559362	0	51	0.0	-78.00	371.47	8.77	-69.23
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(C)C2C(=O)[O-])C1	REAL300012559362	1	51	0.0	-78.62	372.23	8.47	-70.15
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012559363	0	58	0.0	-70.45	418.62	7.43	-63.02
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012559363	1	58	0.0	-67.47	417.51	7.97	-59.50
CC(C)[N@@H+]1CCCC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012559364	0	58	0.0	-55.18	397.97	10.00	-45.18
CC(C)[N@H+]1CCCC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012559364	1	58	0.0	-53.71	397.95	10.00	-43.71
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012559365	0	58	0.0	-75.72	402.15	7.29	-68.43
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012559365	1	58	0.0	-74.79	402.16	7.29	-67.50
CC1=CC=CC2=C1CCN(C(=O)NCC1CCC[N@@H+](C(C)C)C1)C2C(=O)[O-]	REAL300012559366	0	58	0.0	-61.73	413.75	11.29	-50.44
CC1=CC=CC2=C1CCN(C(=O)NCC1CCC[N@H+](C(C)C)C1)C2C(=O)[O-]	REAL300012559366	1	58	0.0	-81.34	409.14	11.77	-69.57
CC(C)[N@@H+]1CCCC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012559367	0	52	0.0	-55.99	368.32	9.08	-46.91
CC(C)[N@H+]1CCCC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012559367	1	52	0.0	-54.96	366.75	9.18	-45.78
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012559368	0	58	0.0	-71.92	420.26	10.08	-61.84
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012559368	1	58	0.0	-72.01	424.53	9.46	-62.55
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012559369	0	54	0.0	-74.15	416.90	9.36	-64.79
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012559369	1	54	0.0	-74.99	416.92	9.35	-65.64
COC1CC(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)(C(=O)[O-])C1	REAL300012559370	0	52	0.0	-78.50	386.71	5.95	-72.55
COC1CC(NC(=O)NCC2CCC[N@H+](C(C)C)C2)(C(=O)[O-])C1	REAL300012559370	1	52	0.0	-71.48	384.74	5.85	-65.63
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012559371	0	48	0.0	-74.24	361.66	7.02	-67.22
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012559371	1	48	0.0	-69.19	355.08	6.98	-62.21
CO[C@H]1C[C@](NC(=O)NCC2CCC[N@@H+](C(C)C)C2)(C(=O)[O-])C1	REAL300012559372	0	52	0.0	-72.24	384.74	5.85	-66.39
CO[C@H]1C[C@](NC(=O)NCC2CCC[N@H+](C(C)C)C2)(C(=O)[O-])C1	REAL300012559372	1	52	0.0	-67.21	378.12	5.82	-61.39
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012559373	0	51	0.0	-72.35	392.13	8.06	-64.29
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012559373	1	51	0.0	-75.10	394.22	8.00	-67.10
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@@H+](C(C)C)C1	REAL300012559374	0	54	0.0	-79.33	381.09	9.94	-69.39
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@H+](C(C)C)C1	REAL300012559374	1	54	0.0	-74.35	376.89	9.88	-64.47
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012559375	0	47	0.0	-64.92	367.24	6.99	-57.93
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012559375	1	47	0.0	-65.79	367.82	7.06	-58.73
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012559376	0	55	0.0	-72.07	406.93	6.38	-65.69
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012559376	1	55	0.0	-73.38	405.93	6.29	-67.09
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012559377	0	51	0.0	-71.27	402.71	8.28	-62.99
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012559377	1	51	0.0	-73.12	402.39	8.36	-64.76
COCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012559378	0	58	0.0	-72.98	429.25	8.35	-64.63
COCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012559378	1	58	0.0	-72.95	429.09	8.32	-64.63
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C1	REAL300012559379	0	53	0.0	-72.27	371.18	7.26	-65.01
CC(C)[N@H+]1CCCC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C1	REAL300012559379	1	53	0.0	-68.36	366.14	7.31	-61.05
CC(C)[N@@H+]1CCCC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012559380	0	49	0.0	-81.92	358.57	9.33	-72.59
CC(C)[N@H+]1CCCC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012559380	1	49	0.0	-81.60	358.57	9.33	-72.27
CC(C)[N@@H+]1CCCC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012559381	0	52	0.0	-80.25	374.09	8.76	-71.49
CC(C)[N@H+]1CCCC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012559381	1	52	0.0	-79.15	374.66	8.74	-70.41
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012559382	0	57	0.0	-53.91	416.89	11.79	-42.12
CC(C)[N@H+]1CCCC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012559382	1	57	0.0	-55.52	420.88	11.97	-43.55
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012559383	0	60	0.0	-71.30	432.20	9.54	-61.76
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012559383	1	60	0.0	-72.26	432.21	9.55	-62.71
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559384	0	57	0.0	-72.09	433.52	10.06	-62.03
CC(C)[N@H+]1CCCC(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559384	1	57	0.0	-68.69	425.82	10.04	-58.65
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559385	0	57	0.0	-72.92	433.55	10.06	-62.86
CC(C)[N@H+]1CCCC(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559385	1	57	0.0	-71.58	433.31	10.11	-61.47
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012559386	0	58	0.0	-73.67	414.45	8.96	-64.71
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012559386	1	58	0.0	-73.44	414.98	9.01	-64.43
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012559387	0	60	0.0	-72.70	432.52	9.47	-63.23
CC(C)[N@H+]1CCCC(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012559387	1	60	0.0	-71.32	432.26	9.55	-61.77
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012559388	0	60	0.0	-71.10	431.64	9.49	-61.61
CC(C)[N@H+]1CCCC(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012559388	1	60	0.0	-68.47	424.75	9.46	-59.01
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012559389	0	58	0.0	-55.71	413.62	10.09	-45.62
CC(C)[N@H+]1CCCC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012559389	1	58	0.0	-55.38	406.66	10.07	-45.31
CC(C)[N@@H+]1CCCC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012559390	0	58	0.0	-80.20	410.78	10.09	-70.11
CC(C)[N@H+]1CCCC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012559390	1	58	0.0	-75.80	402.99	9.85	-65.95
COC1=CC=C(CC(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300012559391	0	58	0.0	-71.86	439.74	8.65	-63.21
COC1=CC=C(CC(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300012559391	1	58	0.0	-69.35	433.14	8.56	-60.79
C=CCSCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559392	0	52	0.0	-69.10	409.85	8.14	-60.96
C=CCSCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559392	1	52	0.0	-68.40	409.86	8.15	-60.25
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012559393	0	55	0.0	-72.50	431.41	9.68	-62.82
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012559393	1	55	0.0	-67.93	423.62	9.66	-58.27
CCC(C(=O)[O-])N(CC)C(=O)NCC1CCC[N@@H+](C(C)C)C1	REAL300012559394	0	53	0.0	-68.82	376.32	8.96	-59.86
CCC(C(=O)[O-])N(CC)C(=O)NCC1CCC[N@H+](C(C)C)C1	REAL300012559394	1	53	0.0	-74.17	378.95	9.72	-64.45
COC1(C(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])CCC1	REAL300012559395	0	55	0.0	-68.34	398.77	5.95	-62.39
COC1(C(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])CCC1	REAL300012559395	1	55	0.0	-68.30	399.20	5.95	-62.35
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012559396	0	57	0.0	-73.48	407.21	8.58	-64.90
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012559396	1	57	0.0	-72.54	407.24	8.57	-63.97
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012559397	0	58	0.0	-70.65	412.74	10.38	-60.27
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012559397	1	58	0.0	-76.09	419.61	10.40	-65.69
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012559398	0	51	0.0	-79.33	385.24	7.83	-71.50
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012559398	1	51	0.0	-77.89	385.13	7.81	-70.08
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300012559400	0	63	0.0	-72.35	464.46	10.66	-61.69
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300012559400	1	63	0.0	-72.32	464.51	10.67	-61.65
CC(C)C1=CC=C(C(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300012559401	0	60	0.0	-72.33	448.48	10.27	-62.06
CC(C)C1=CC=C(C(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300012559401	1	60	0.0	-72.68	448.27	10.37	-62.31
CC(C)[N@@H+]1CCCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012559402	0	48	0.0	-70.64	350.46	8.23	-62.41
CC(C)[N@H+]1CCCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012559402	1	48	0.0	-75.57	357.38	8.27	-67.30
CC(C)[N@@H+]1CCCC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012559403	0	50	0.0	-55.84	366.96	9.00	-46.84
CC(C)[N@H+]1CCCC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012559403	1	50	0.0	-55.30	365.79	9.04	-46.26
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012559404	0	54	0.0	-79.78	385.08	8.95	-70.83
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012559404	1	54	0.0	-79.74	384.85	8.97	-70.77
CCOC1=CC=C(C(NC(=O)NCC2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300012559405	0	58	0.0	-72.86	439.62	8.55	-64.31
CCOC1=CC=C(C(NC(=O)NCC2CCC[N@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300012559405	1	58	0.0	-71.83	439.42	8.65	-63.18
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012559406	0	58	0.0	-81.41	407.92	11.15	-70.26
CC(C)[N@H+]1CCCC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012559406	1	58	0.0	-81.65	406.33	11.09	-70.56
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012559407	0	58	0.0	-72.81	430.92	10.15	-62.66
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012559407	1	58	0.0	-71.76	422.32	10.36	-61.40
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559408	0	58	0.0	-76.86	430.71	9.38	-67.48
CC(C)[N@H+]1CCCC(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559408	1	58	0.0	-73.51	423.86	9.37	-64.14
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012559409	0	54	0.0	-68.13	418.51	9.60	-58.53
CC(C)[N@H+]1CCCC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012559409	1	54	0.0	-66.18	411.88	9.51	-56.67
CC(C)CCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559410	0	56	0.0	-71.62	412.44	8.40	-63.22
CC(C)CCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559410	1	56	0.0	-67.71	405.84	8.30	-59.41
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012559411	0	55	0.0	-56.01	398.70	9.62	-46.39
CC(C)[N@H+]1CCCC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012559411	1	55	0.0	-55.93	398.75	9.62	-46.31
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012559412	0	55	0.0	-72.07	406.93	6.38	-65.69
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012559412	1	55	0.0	-73.38	405.93	6.29	-67.09
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](C(C)C)C2)C1	REAL300012559413	0	52	0.0	-71.08	387.10	9.31	-61.77
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+](C(C)C)C2)C1	REAL300012559413	1	52	0.0	-76.10	393.99	9.36	-66.74
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012559414	0	55	0.0	-74.32	390.09	8.86	-65.46
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012559414	1	55	0.0	-74.21	390.18	8.86	-65.35
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012559415	0	52	0.0	-75.95	376.08	8.04	-67.91
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012559415	1	52	0.0	-76.61	374.48	8.27	-68.34
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012559416	0	55	0.0	-75.31	395.59	8.61	-66.70
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012559416	1	55	0.0	-71.84	395.04	8.83	-63.01
CC(C)[N@@H+]1CCCC(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559417	0	57	0.0	-70.98	419.13	11.21	-59.77
CC(C)[N@H+]1CCCC(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012559417	1	57	0.0	-67.09	412.77	11.29	-55.80
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012559418	0	61	0.0	-55.16	420.09	10.59	-44.57
CC(C)[N@H+]1CCCC(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012559418	1	61	0.0	-57.82	427.82	10.57	-47.25
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012559419	0	54	0.0	-72.60	388.28	7.86	-64.74
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012559419	1	54	0.0	-73.27	393.55	7.93	-65.34
CO[C@H](C)[C@H](NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559420	0	51	0.0	-72.02	381.98	5.58	-66.44
CO[C@H](C)[C@H](NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559420	1	51	0.0	-73.31	382.15	5.51	-67.80
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C1	REAL300012559421	0	51	0.0	-76.22	371.26	7.83	-68.39
CC(C)[N@H+]1CCCC(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C1	REAL300012559421	1	51	0.0	-72.13	364.38	7.80	-64.33
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012559422	0	54	0.0	-60.11	409.00	11.08	-49.03
CC(C)[N@H+]1CCCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012559422	1	54	0.0	-60.07	409.06	11.09	-48.98
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012559423	0	54	0.0	-56.05	391.63	8.92	-47.13
CC(C)[N@H+]1CCCC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012559423	1	54	0.0	-55.60	390.73	8.96	-46.64
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012559424	0	55	0.0	-76.48	411.05	11.44	-65.04
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012559424	1	55	0.0	-57.94	414.77	10.85	-47.09
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012559425	0	51	0.0	-77.69	373.05	9.28	-68.41
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012559425	1	51	0.0	-77.61	372.97	9.32	-68.29
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012559426	0	48	0.0	-77.04	360.74	8.38	-68.66
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012559426	1	48	0.0	-80.68	363.48	8.00	-72.68
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012559427	0	54	0.0	-74.15	416.90	9.36	-64.79
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012559427	1	54	0.0	-74.99	416.92	9.35	-65.64
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012559428	0	51	0.0	-71.62	401.21	8.28	-63.34
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012559428	1	51	0.0	-71.35	400.56	8.23	-63.12
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012559429	0	51	0.0	-69.83	380.08	8.85	-60.98
CC(C)[N@H+]1CCCC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012559429	1	51	0.0	-76.00	380.49	8.96	-67.04
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012559430	0	55	0.0	-76.07	415.33	9.01	-67.06
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012559430	1	55	0.0	-75.43	415.08	9.03	-66.40
CC(C)[N@@H+]1CCCC(CNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012559431	0	59	0.0	-75.89	439.12	10.65	-65.24
CC(C)[N@H+]1CCCC(CNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012559431	1	59	0.0	-73.02	431.21	10.57	-62.45
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012559432	0	51	0.0	-71.62	401.21	8.28	-63.34
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012559432	1	51	0.0	-71.35	400.56	8.23	-63.12
CC(C)[N@@H+]1CCCC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012559433	0	55	0.0	-76.19	383.21	9.33	-66.86
CC(C)[N@H+]1CCCC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012559433	1	55	0.0	-75.41	382.04	9.30	-66.11
COCCCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559434	0	54	0.0	-70.62	407.29	6.11	-64.51
COCCCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559434	1	54	0.0	-67.17	400.44	6.08	-61.09
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C(C)C)C1	REAL300012559435	0	53	0.0	-67.78	385.24	9.23	-58.55
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C(C)C)C1	REAL300012559435	1	53	0.0	-67.73	384.60	9.08	-58.65
CCOCC(NC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300012559436	0	51	0.0	-73.79	385.84	5.48	-68.31
CCOCC(NC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300012559436	1	51	0.0	-72.91	385.84	5.49	-67.42
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012559437	0	56	0.0	-72.57	402.98	8.66	-63.91
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012559437	1	56	0.0	-68.15	396.11	8.63	-59.52
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012559438	0	55	0.0	-74.75	403.93	6.81	-67.94
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012559438	1	55	0.0	-70.16	396.83	6.84	-63.32
CC(C)[N@@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012559439	0	55	0.0	-71.25	400.88	9.57	-61.68
CC(C)[N@H+]1CCCC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012559439	1	55	0.0	-74.75	407.65	9.66	-65.09
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012559440	0	52	0.0	-77.77	372.85	7.50	-70.27
CC(C)[N@H+]1CCCC(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012559440	1	52	0.0	-74.22	366.97	7.69	-66.53
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012559441	0	54	0.0	-73.24	393.16	9.11	-64.13
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012559441	1	54	0.0	-67.47	386.53	9.19	-58.28
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012559442	0	48	0.0	-72.63	372.71	6.84	-65.79
CC(C)[N@H+]1CCCC(CNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012559442	1	48	0.0	-68.48	365.88	6.81	-61.67
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012559443	0	65	0.0	-76.12	444.00	10.45	-65.67
CC(C)[N@H+]1CCCC(CNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012559443	1	65	0.0	-71.64	436.20	10.35	-61.29
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012559444	0	57	0.0	-76.10	440.21	9.59	-66.51
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012559444	1	57	0.0	-75.43	440.22	9.59	-65.84
CC(C)[N@@H+]1CCCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012559445	0	51	0.0	-61.54	385.09	8.97	-52.57
CC(C)[N@H+]1CCCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012559445	1	51	0.0	-60.85	390.72	9.23	-51.62
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012559446	0	62	0.0	-80.25	423.85	10.04	-70.21
CC(C)[N@H+]1CCCC(CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012559446	1	62	0.0	-80.63	424.79	10.00	-70.63
CC(C)[N@@H+]1CCCC(CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012559447	0	53	0.0	-68.19	422.28	7.92	-60.27
CC(C)[N@H+]1CCCC(CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012559447	1	53	0.0	-71.75	422.20	7.99	-63.76
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](C(C)C)C2)C1	REAL300012559448	0	55	0.0	-77.67	406.00	8.14	-69.53
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+](C(C)C)C2)C1	REAL300012559448	1	55	0.0	-73.88	399.12	8.11	-65.77
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC(C)(C)C)CC1	REAL300012559852	0	56	0.0	-62.01	415.81	5.36	-56.65
CC(C)C[C@H](NC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012559944	0	57	0.0	-77.83	439.92	10.08	-67.75
CC(C)C[C@H](NC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012559944	1	57	0.0	-78.46	439.55	10.12	-68.34
C=CCOCC(NC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012559945	0	56	0.0	-79.59	448.26	8.51	-71.08
C=CCOCC(NC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012559945	1	56	0.0	-80.34	447.98	8.52	-71.82
C=CC(C)C(NC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012559946	0	55	0.0	-76.94	429.94	9.80	-67.14
C=CC(C)C(NC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012559946	1	55	0.0	-79.17	427.25	9.64	-69.53
O=C([O-])C(NC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C1CCOCC1	REAL300012559947	0	59	0.0	-80.91	446.12	8.52	-72.39
O=C([O-])C(NC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C1CCOCC1	REAL300012559947	1	59	0.0	-77.24	451.37	8.78	-68.46
COC1CCN(C(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012559948	0	59	0.0	-89.12	442.43	11.03	-78.09
COC1CCN(C(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012559948	1	59	0.0	-86.61	441.79	10.76	-75.85
O=C([O-])C(NC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C1CCCOC1	REAL300012559949	0	59	0.0	-78.27	446.13	8.51	-69.76
O=C([O-])C(NC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C1CCCOC1	REAL300012559949	1	59	0.0	-76.70	449.37	8.84	-67.86
CC1CCN(C(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012559950	0	58	0.0	-88.62	425.92	12.27	-76.35
CC1CCN(C(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012559950	1	58	0.0	-85.67	425.26	12.00	-73.67
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300012559951	0	54	0.0	-64.37	421.82	11.32	-53.05
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300012559951	1	54	0.0	-62.42	420.80	11.29	-51.13
CC(C(=O)[O-])N(C(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C1CCC1	REAL300012559952	0	58	0.0	-65.44	433.20	11.51	-53.93
CC(C(=O)[O-])N(C(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C1CCC1	REAL300012559952	1	58	0.0	-57.65	429.69	12.55	-45.10
CCCN(C(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(COC)C(=O)[O-]	REAL300012559953	0	61	0.0	-75.34	458.90	10.91	-64.43
CCCN(C(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(COC)C(=O)[O-]	REAL300012559953	1	61	0.0	-77.15	458.60	10.88	-66.27
CCCN(C(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012559954	0	60	0.0	-76.57	448.03	12.31	-64.26
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COCCCC(NC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012560157	0	58	0.0	-76.37	456.57	8.62	-67.75
COCCCC(NC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012560157	1	58	0.0	-75.58	456.54	8.57	-67.01
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300012560158	0	57	0.0	-76.02	433.00	11.62	-64.40
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300012560158	1	57	0.0	-74.69	434.34	11.63	-63.06
CCOCC(NC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012560159	0	55	0.0	-79.12	435.36	7.94	-71.18
CCOCC(NC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012560159	1	55	0.0	-79.79	435.08	7.95	-71.84
CC(C)(C)CC(NC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012560160	0	60	0.0	-77.50	452.24	11.17	-66.33
CC(C)(C)CC(NC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012560160	1	60	0.0	-75.84	451.34	11.15	-64.69
O=C([O-])C(NC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C1CCCCO1	REAL300012560161	0	59	0.0	-82.07	452.35	9.25	-72.82
O=C([O-])C(NC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C1CCCCO1	REAL300012560161	1	59	0.0	-81.52	451.87	8.89	-72.63
C[C@H]1OCCN(C(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300012560162	0	56	0.0	-85.06	423.00	10.19	-74.87
C[C@H]1OCCN(C(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300012560162	1	56	0.0	-84.35	423.28	10.18	-74.17
N#CCCC(NC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012560163	0	52	0.0	-78.10	422.26	9.28	-68.82
N#CCCC(NC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012560163	1	52	0.0	-76.55	421.39	9.24	-67.31
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300012560164	0	55	0.0	-66.55	435.73	11.83	-54.72
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300012560164	1	55	0.0	-63.91	435.87	11.82	-52.09
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300012560165	0	51	0.0	-75.08	392.15	9.77	-65.31
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300012560165	1	51	0.0	-74.57	393.29	9.83	-64.74
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300012560166	0	59	0.0	-84.07	455.48	10.58	-73.49
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300012560166	1	59	0.0	-79.42	454.70	10.65	-68.77
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=N2)CC1	REAL300012560167	0	58	0.0	-74.61	443.15	7.34	-67.27
C=CCOCC(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560168	0	57	0.0	-75.89	451.09	5.82	-70.07
C=CC(C)C(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560169	0	56	0.0	-76.74	436.01	7.18	-69.56
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C)CC3C(=O)[O-])=CC=N2)CC1	REAL300012560170	0	59	0.0	-86.13	435.08	9.56	-76.57
CCCN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1	REAL300012560171	0	55	0.0	-62.98	423.91	8.61	-54.37
CC[NH+]1CCN(C2=CC(CNC(=O)N(C(C)C(=O)[O-])C3CCC3)=CC=N2)CC1	REAL300012560172	0	59	0.0	-66.70	436.96	9.00	-57.70
CCCN(C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(CC)C(=O)[O-]	REAL300012560173	0	61	0.0	-61.06	447.02	10.29	-50.77
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C(C)C)=CC=N2)CC1	REAL300012560174	0	55	0.0	-78.02	416.59	6.36	-71.66
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCCCC3C(=O)[O-])=CC=N2)CC1	REAL300012560175	0	56	0.0	-87.98	414.56	9.22	-78.76
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCSCC3C(=O)[O-])=CC=N2)CC1	REAL300012560176	0	54	0.0	-82.90	414.39	9.07	-73.83
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCCCC3)=CC=N2)CC1	REAL300012560177	0	59	0.0	-78.75	434.00	8.24	-70.51
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCCC3C(=O)[O-])=CC=N2)CC1	REAL300012560178	0	53	0.0	-84.88	403.25	7.94	-76.94
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCCC3)=CC=N2)CC1	REAL300012560179	0	56	0.0	-83.66	418.90	7.10	-76.56
CC[NH+]1CCN(C2=CC(CNC(=O)NCC(=O)[O-])=CC=N2)CC1	REAL300012560180	0	46	0.0	-65.43	361.86	4.17	-61.26
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=CC=N2)CC1	REAL300012560181	0	56	0.0	-79.01	440.38	8.18	-70.83
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)=CC=N2)CC1	REAL300012560182	0	56	0.0	-75.82	440.00	8.12	-67.70
CCC(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560183	0	52	0.0	-73.66	403.65	6.04	-67.62
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C(C)C)=CC=N2)CC1	REAL300012560184	0	55	0.0	-78.02	416.59	6.36	-71.66
CC[NH+]1CCN(C2=CC(CNC(=O)N(C)CC(=O)[O-])=CC=N2)CC1	REAL300012560185	0	49	0.0	-76.48	380.60	6.86	-69.62
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C)C(=O)[O-])=CC=N2)CC1	REAL300012560186	0	49	0.0	-66.79	382.65	5.01	-61.78
CCC(C)C(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560187	0	58	0.0	-78.65	435.14	7.01	-71.64
CC[NH+]1CCN(C2=CC(CNC(=O)N(C)CC(=O)[O-])=CC=N2)CC1	REAL300012560188	0	49	0.0	-76.48	380.60	6.86	-69.62
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCCCC3C(=O)[O-])=CC=N2)CC1	REAL300012560189	0	56	0.0	-87.98	414.56	9.22	-78.76
CCCC(C)(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560190	0	58	0.0	-75.18	430.11	7.16	-68.02
CC[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])C(C)C)=CC=N2)CC1	REAL300012560191	0	55	0.0	-63.72	412.53	8.12	-55.60
CC[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])C3CC3)=CC=N2)CC1	REAL300012560192	0	53	0.0	-79.56	403.44	8.13	-71.43
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1	REAL300012560193	0	53	0.0	-62.83	415.22	8.41	-54.42
CC[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])CC(C)C)=CC=N2)CC1	REAL300012560194	0	58	0.0	-62.49	438.32	8.91	-53.58
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C)(C)C(=O)[O-])=CC=N2)CC1	REAL300012560195	0	52	0.0	-64.62	395.22	5.40	-59.22
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C)(C(=O)[O-])C3CC3)=CC=N2)CC1	REAL300012560196	0	56	0.0	-80.04	418.12	7.14	-72.90
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCCCC3)=CC=N2)CC1	REAL300012560197	0	59	0.0	-78.75	434.00	8.24	-70.51
CC[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])C(C)C)=CC=N2)CC1	REAL300012560198	0	55	0.0	-63.72	412.53	8.12	-55.60
CCCN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1	REAL300012560199	0	55	0.0	-62.98	423.91	8.61	-54.37
CCN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1	REAL300012560200	0	52	0.0	-76.73	402.41	7.84	-68.89
CC[C@H](C)[C@H](NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560201	0	58	0.0	-74.13	434.07	6.96	-67.17
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCCC3)=CC=N2)CC1	REAL300012560202	0	56	0.0	-83.66	418.90	7.10	-76.56
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C)(CC)C(=O)[O-])=CC=N2)CC1	REAL300012560203	0	55	0.0	-74.94	408.61	6.39	-68.55
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@@H](C)C(=O)[O-])=CC=N2)CC1	REAL300012560204	0	49	0.0	-65.46	382.46	5.03	-60.43
CCN(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1	REAL300012560205	0	52	0.0	-76.73	402.41	7.84	-68.89
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@H](C)C(=O)[O-])=CC=N2)CC1	REAL300012560206	0	49	0.0	-66.82	382.65	5.01	-61.81
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CC3)=CC=N2)CC1	REAL300012560207	0	50	0.0	-81.38	388.82	6.23	-75.15
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCOCC3C(=O)[O-])=CC=N2)CC1	REAL300012560208	0	54	0.0	-82.56	405.37	6.50	-76.06
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CC3)=CC=N2)CC1	REAL300012560209	0	53	0.0	-74.95	414.23	6.57	-68.38
CC[NH+]1CCN(C2=CC(CNC(=O)N(CCOC)CC(=O)[O-])=CC=N2)CC1	REAL300012560210	0	56	0.0	-63.77	433.78	7.03	-56.74
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560211	0	53	0.0	-84.10	403.47	7.58	-76.52
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560212	0	56	0.0	-86.03	414.30	9.11	-76.92
CC[NH+]1CCN(C2=CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])=CC=N2)CC1	REAL300012560213	0	52	0.0	-72.20	394.99	6.99	-65.21
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560214	0	53	0.0	-80.78	403.94	7.65	-73.13
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCC3)=CC=N2)CC1	REAL300012560215	0	53	0.0	-83.72	405.60	6.74	-76.98
C=CCC(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560216	0	53	0.0	-73.31	416.96	6.48	-66.83
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCCC3(C)C(=O)[O-])=CC=N2)CC1	REAL300012560217	0	56	0.0	-80.27	420.28	8.50	-71.77
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCCCCC3C(=O)[O-])=CC=N2)CC1	REAL300012560218	0	59	0.0	-88.33	427.39	9.59	-78.74
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CC3)=CC=N2)CC1	REAL300012560219	0	53	0.0	-74.95	414.23	6.57	-68.38
CC[NH+]1CCN(C2=CC(CNC(=O)N(C)C(C)C(=O)[O-])=CC=N2)CC1	REAL300012560220	0	52	0.0	-72.35	395.50	7.10	-65.25
CCCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560221	0	58	0.0	-73.51	446.64	7.58	-65.93
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=N2)CC1	REAL300012560222	0	56	0.0	-80.41	419.85	8.44	-71.97
CC[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])C3CCCC3)=CC=N2)CC1	REAL300012560223	0	59	0.0	-62.46	438.74	9.42	-53.04
CC[NH+]1CCN(C2=CC(CNC(=O)NC(COC)C(=O)[O-])=CC=N2)CC1	REAL300012560224	0	53	0.0	-75.89	416.33	4.27	-71.62
CCCCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560225	0	61	0.0	-74.04	468.97	8.35	-65.69
CC[NH+]1CCN(C2=CC(CNC(=O)N(C)C3(C(=O)[O-])CCCC3)=CC=N2)CC1	REAL300012560226	0	59	0.0	-86.03	429.94	8.85	-77.18
CC[NH+]1CCN(C2=CC(CNC(=O)N(C(C)C(=O)[O-])C3CC3)=CC=N2)CC1	REAL300012560227	0	56	0.0	-69.16	413.28	8.13	-61.03
CCC(C(=O)[O-])N(C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C1CC1	REAL300012560228	0	59	0.0	-59.08	442.33	9.71	-49.37
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C)(COC)C(=O)[O-])=CC=N2)CC1	REAL300012560229	0	56	0.0	-78.99	426.86	5.68	-73.31
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1	REAL300012560230	0	59	0.0	-71.31	446.61	7.39	-63.92
CC[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])CC(C)C)=CC=N2)CC1	REAL300012560231	0	58	0.0	-62.49	438.32	8.91	-53.58
CC[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])C3CC3)=CC=N2)CC1	REAL300012560232	0	53	0.0	-79.56	403.44	8.13	-71.43
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCOC3)=CC=N2)CC1	REAL300012560233	0	54	0.0	-77.91	410.13	4.53	-73.38
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCOCC3)=CC=N2)CC1	REAL300012560234	0	57	0.0	-77.66	425.42	5.74	-71.92
C=CCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560235	0	56	0.0	-73.32	437.96	7.36	-65.96
CC[NH+]1CCN(C2=CC(CNC(=O)NC(CF)C(=O)[O-])=CC=N2)CC1	REAL300012560236	0	49	0.0	-63.72	386.26	5.02	-58.70
CC[NH+]1CCN(C2=CC(CNC(=O)N(C)C(C)C(=O)[O-])=CC=N2)CC1	REAL300012560237	0	52	0.0	-72.35	395.50	7.10	-65.25
CC[NH+]1CCN(C2=CC(CNC(=O)NC(CC)(CC)C(=O)[O-])=CC=N2)CC1	REAL300012560238	0	58	0.0	-76.04	425.29	7.28	-68.76
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1	REAL300012560239	0	58	0.0	-61.68	435.49	9.34	-52.34
CC[NH+]1CCN(C2=CC(CNC(=O)NC(CC)(COC)C(=O)[O-])=CC=N2)CC1	REAL300012560240	0	59	0.0	-80.16	443.54	6.58	-73.58
CC[NH+]1CCN(C2=CC(CNC(=O)NC(CC3CC3)C(=O)[O-])=CC=N2)CC1	REAL300012560241	0	56	0.0	-73.51	435.22	7.59	-65.92
CC[NH+]1CCN(C2=CC(CNC(=O)NC(CCOC)C(=O)[O-])=CC=N2)CC1	REAL300012560242	0	56	0.0	-73.45	437.32	5.10	-68.35
CC[NH+]1CCN(C2=CC(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])=CC=N2)CC1	REAL300012560243	0	61	0.0	-70.43	452.71	9.52	-60.91
CC[NH+]1CCN(C2=CC(CNC(=O)NC(CC(F)F)C(=O)[O-])=CC=N2)CC1	REAL300012560244	0	52	0.0	-72.63	415.99	6.32	-66.31
CCCN(C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(C)C(=O)[O-]	REAL300012560245	0	58	0.0	-60.63	434.76	9.48	-51.15
CC[NH+]1CCN(C2=CC(CNC(=O)NC(CCF)C(=O)[O-])=CC=N2)CC1	REAL300012560246	0	52	0.0	-72.59	411.07	6.16	-66.43
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C)(CCF)C(=O)[O-])=CC=N2)CC1	REAL300012560247	0	55	0.0	-71.64	415.21	6.53	-65.11
CC[NH+]1CCN(C2=CC(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560248	0	53	0.0	-74.17	416.50	7.74	-66.43
CC[NH+]1CCN(C2=CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])=CC=N2)CC1	REAL300012560249	0	52	0.0	-69.85	394.57	7.10	-62.75
CC[NH+]1CCN(C2=CC(CNC(=O)N3CC4CC3(C(=O)[O-])C4)=CC=N2)CC1	REAL300012560250	0	54	0.0	-86.44	408.29	8.58	-77.86
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=N2)CC1	REAL300012560251	0	58	0.0	-74.09	433.62	7.15	-66.94
C=C(Cl)CC(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560252	0	53	0.0	-74.01	432.91	7.10	-66.91
C=C(C)CC(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560253	0	56	0.0	-73.53	437.50	7.24	-66.29
CC[NH+]1CCN(C2=CC(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)=CC=N2)CC1	REAL300012560254	0	57	0.0	-88.87	425.34	9.38	-79.49
CC[NH+]1CCN(C2=CC(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560255	0	53	0.0	-73.82	416.92	7.83	-65.99
CC[NH+]1CCN(C2=CC(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560256	0	53	0.0	-82.15	409.73	8.03	-74.12
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=NC(N3CC[NH+](CC)CC3)=C2)C1	REAL300012560257	0	54	0.0	-85.12	417.47	8.00	-77.12
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=N2)CC1	REAL300012560258	0	58	0.0	-74.61	443.15	7.34	-67.27
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)=CC=N2)CC1	REAL300012560259	0	56	0.0	-75.82	440.00	8.12	-67.70
CC[NH+]1CCN(C2=CC(CNC(=O)NC(CC3CC3)C(=O)[O-])=CC=N2)CC1	REAL300012560260	0	56	0.0	-73.51	435.22	7.59	-65.92
CC[NH+]1CCN(C2=CC(CNC(=O)NC(CSC)C(=O)[O-])=CC=N2)CC1	REAL300012560261	0	53	0.0	-72.42	427.95	6.44	-65.98
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@@H](COC)C(=O)[O-])=CC=N2)CC1	REAL300012560262	0	53	0.0	-75.86	416.33	4.27	-71.59
CC[C@H](NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560263	0	52	0.0	-73.64	403.66	6.04	-67.60
CCC(C)CC(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560264	0	61	0.0	-73.89	460.58	8.00	-65.89
C=CCCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560265	0	59	0.0	-73.76	460.29	8.13	-65.63
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCSCC3C(=O)[O-])=CC=N2)CC1	REAL300012560266	0	54	0.0	-82.90	414.39	9.07	-73.83
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560267	0	53	0.0	-84.10	403.47	7.58	-76.52
CCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560268	0	55	0.0	-73.62	425.14	6.80	-66.82
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=N2)CC1	REAL300012560269	0	55	0.0	-78.14	421.52	6.61	-71.53
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])=CC=N2)CC1	REAL300012560270	0	57	0.0	-87.85	423.97	9.50	-78.35
CCN(C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(C)(C)C(=O)[O-]	REAL300012560271	0	58	0.0	-81.43	429.16	8.79	-72.64
CCCN(C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(C)C(=O)[O-]	REAL300012560272	0	58	0.0	-60.63	434.76	9.48	-51.15
CC[NH+]1CCN(C2=CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])=CC=N2)CC1	REAL300012560273	0	55	0.0	-81.32	409.71	7.91	-73.41
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560274	0	53	0.0	-80.78	403.94	7.65	-73.13
CC[NH+]1CCN(C2=CC(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560275	0	54	0.0	-82.88	416.64	4.13	-78.75
CCC[C@@H](NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560276	0	55	0.0	-77.22	425.74	6.85	-70.37
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=CC=N2)CC1	REAL300012560277	0	56	0.0	-79.01	440.38	8.18	-70.83
C=CCCC(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560278	0	56	0.0	-73.32	437.96	7.36	-65.96
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=N2)CC1	REAL300012560279	0	56	0.0	-84.00	419.80	8.45	-75.55
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)C)=CC=N2)CC1	REAL300012560280	0	55	0.0	-74.68	421.52	6.60	-68.08
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)=CC=N2)CC1	REAL300012560281	0	56	0.0	-79.02	440.01	8.13	-70.89
CC[NH+]1CCN(C2=CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])=CC=N2)CC1	REAL300012560282	0	52	0.0	-69.85	394.57	7.10	-62.75
CCC[C@H](NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560283	0	55	0.0	-74.23	425.95	6.79	-67.44
CCN(C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(C)C(=O)[O-]	REAL300012560284	0	55	0.0	-72.93	412.19	7.88	-65.05
CC[NH+]1CCN(C2=CC(CNC(=O)N(CC(=O)[O-])C3CCCC3)=CC=N2)CC1	REAL300012560285	0	59	0.0	-62.46	438.74	9.42	-53.04
CC[NH+]1CCN(C2=CC(CNC(=O)N(C)CC(C)C(=O)[O-])=CC=N2)CC1	REAL300012560286	0	55	0.0	-74.49	415.70	7.53	-66.96
CC[C@H](C)[C@H](NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560287	0	58	0.0	-74.13	434.07	6.96	-67.17
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1	REAL300012560288	0	55	0.0	-70.22	414.87	8.18	-62.04
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)=CC=N2)CC1	REAL300012560289	0	57	0.0	-88.88	436.14	3.93	-84.95
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCC(C)C3)=CC=N2)CC1	REAL300012560290	0	59	0.0	-79.20	440.55	7.76	-71.44
CC[NH+]1CCN(C2=CC(CNC(=O)NC(CCOC)C(=O)[O-])=CC=N2)CC1	REAL300012560291	0	56	0.0	-73.45	437.32	5.10	-68.35
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)=CC=N2)CC1	REAL300012560292	0	59	0.0	-80.75	442.03	8.45	-72.30
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3(C)CC3)=CC=N2)CC1	REAL300012560293	0	56	0.0	-79.57	425.90	7.37	-72.20
CC[NH+]1CCN(C2=CC(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560294	0	54	0.0	-87.61	415.19	4.42	-83.19
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CCOC3)=CC=N2)CC1	REAL300012560295	0	57	0.0	-72.74	436.71	5.07	-67.67
CC[NH+]1CCN(C2=CC(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])=CC=N2)CC1	REAL300012560296	0	57	0.0	-84.56	425.36	9.07	-75.49
CC[NH+]1CCN(C2=CC(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)=CC=N2)CC1	REAL300012560297	0	55	0.0	-84.45	417.39	6.83	-77.62
CC[NH+]1CCN(C2=CC(CNC(=O)N3CC(C)CCC3C(=O)[O-])=CC=N2)CC1	REAL300012560298	0	59	0.0	-87.48	435.50	9.81	-77.67
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CCC3)=CC=N2)CC1	REAL300012560299	0	56	0.0	-78.24	429.32	7.08	-71.16
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CCC3)=CC=N2)CC1	REAL300012560300	0	56	0.0	-78.24	429.32	7.08	-71.16
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C)C3C(=O)[O-])=CC=N2)CC1	REAL300012560301	0	56	0.0	-86.47	424.53	8.25	-78.22
C=CCC(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560302	0	53	0.0	-73.31	416.96	6.48	-66.83
CC[NH+]1CCN(C2=CC(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560303	0	57	0.0	-59.14	426.13	8.90	-50.24
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CC(OC)C3)=CC=N2)CC1	REAL300012560304	0	57	0.0	-79.35	437.21	5.61	-73.74
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)=CC=N2)CC1	REAL300012560305	0	53	0.0	-78.04	414.04	6.77	-71.27
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@]3(C(=O)[O-])C[C@H](OC)C3)=CC=N2)CC1	REAL300012560306	0	57	0.0	-81.88	437.57	6.00	-75.88
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCCC3(CC)C(=O)[O-])=CC=N2)CC1	REAL300012560307	0	59	0.0	-86.19	433.60	9.71	-76.48
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])COC3)=CC=N2)CC1	REAL300012560308	0	51	0.0	-73.97	396.43	3.78	-70.19
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)=CC=N2)CC1	REAL300012560309	0	58	0.0	-78.91	423.53	7.03	-71.88
CC[NH+]1CCN(C2=CC(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560310	0	54	0.0	-85.92	410.02	9.10	-76.82
CC[NH+]1CCN(C2=CC(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560311	0	57	0.0	-83.33	426.68	8.50	-74.83
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1	REAL300012560312	0	58	0.0	-71.57	429.51	8.90	-62.67
CC[NH+]1CCN(C2=CC(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560313	0	53	0.0	-82.15	409.73	8.03	-74.12
CC[NH+]1CCN(C2=CC(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])=CC=N2)CC1	REAL300012560314	0	55	0.0	-65.88	419.33	8.75	-57.13
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])=CC=N2)CC1	REAL300012560315	0	59	0.0	-83.00	439.37	8.59	-74.41
CC[NH+]1CCN(C2=CC(CNC(=O)NC(CCC(C)C)C(=O)[O-])=CC=N2)CC1	REAL300012560316	0	61	0.0	-74.29	465.04	8.09	-66.20
CC[NH+]1CCN(C2=CC(CNC(=O)NC3(C(=O)[O-])CCC4CC43)=CC=N2)CC1	REAL300012560317	0	57	0.0	-84.94	426.97	7.97	-76.97
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C(=O)[O-])C3CCCC3)=CC=N2)CC1	REAL300012560318	0	59	0.0	-78.67	446.24	7.75	-70.92
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=N2)CC1	REAL300012560319	0	56	0.0	-75.13	434.00	5.27	-69.86
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)=CC=N2)CC1	REAL300012560320	0	56	0.0	-79.02	418.67	7.28	-71.74
CC[NH+]1CCN(C2=CC(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])=CC=N2)CC1	REAL300012560321	0	59	0.0	-58.22	443.06	8.74	-49.48
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])=CC=N2)CC1	REAL300012560322	0	53	0.0	-83.45	413.10	8.12	-75.33
CC[NH+]1CCN(C2=CC(CNC(=O)NC(CCCOC)C(=O)[O-])=CC=N2)CC1	REAL300012560323	0	59	0.0	-74.10	459.65	5.86	-68.24
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1	REAL300012560324	0	58	0.0	-70.42	436.36	8.95	-61.47
CCOCC(NC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300012560325	0	56	0.0	-76.23	438.19	5.25	-70.98
CC[NH+]1CCN(C2=CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])=CC=N2)CC1	REAL300012560326	0	61	0.0	-78.32	455.31	8.42	-69.90
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])=CC=N2)CC1	REAL300012560327	0	57	0.0	-85.31	426.23	7.48	-77.83
CC[NH+]1CCN(C2=CC(CNC(=O)NC(CCC#N)C(=O)[O-])=CC=N2)CC1	REAL300012560328	0	53	0.0	-74.56	425.34	6.52	-68.04
CC[NH+]1CCN(C2=CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])=CC=N2)CC1	REAL300012560329	0	52	0.0	-72.20	394.99	6.99	-65.21
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCN(CC(F)F)CC2)CC1	REAL300012560507	0	58	0.0	-62.30	426.09	4.92	-57.38
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560747	0	60	0.0	-79.92	444.76	10.13	-69.79
C=CCOCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560748	0	59	0.0	-82.26	452.56	8.64	-73.62
C=CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560749	0	58	0.0	-79.78	430.59	9.63	-70.15
CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C(C(=O)[O-])C1	REAL300012560750	0	61	0.0	-91.03	429.83	12.14	-78.89
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560751	0	57	0.0	-66.61	425.51	11.38	-55.23
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1CCC1	REAL300012560752	0	61	0.0	-65.51	437.97	11.66	-53.85
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(CC)C(=O)[O-]	REAL300012560753	0	63	0.0	-75.84	451.78	12.24	-63.60
CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560754	0	57	0.0	-79.36	421.20	9.41	-69.95
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560755	0	58	0.0	-91.70	416.17	11.99	-79.71
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560756	0	56	0.0	-87.37	415.73	11.73	-75.64
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCCCC1	REAL300012560757	0	61	0.0	-84.50	435.59	11.02	-73.48
O=C([O-])C1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560758	0	55	0.0	-86.63	404.83	10.72	-75.91
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCCC1	REAL300012560759	0	58	0.0	-85.01	420.50	9.88	-75.13
O=C([O-])CNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560760	0	48	0.0	-67.87	363.46	6.95	-60.92
O=C([O-])[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1=CC=CC=C1	REAL300012560761	0	58	0.0	-81.61	442.01	10.96	-70.65
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1=CC=CC=C1	REAL300012560762	0	58	0.0	-81.06	441.61	10.90	-70.16
CCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560763	0	54	0.0	-79.59	405.84	8.87	-70.72
CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560764	0	57	0.0	-79.36	421.20	9.41	-69.95
CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560765	0	51	0.0	-79.08	382.20	9.64	-69.44
CC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560766	0	51	0.0	-68.42	384.08	7.81	-60.61
CCC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560767	0	60	0.0	-78.88	438.27	9.96	-68.92
CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560768	0	51	0.0	-79.08	382.20	9.64	-69.44
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560769	0	58	0.0	-91.70	416.17	11.99	-79.71
CCCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560770	0	60	0.0	-81.23	431.71	9.92	-71.31
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560771	0	57	0.0	-67.30	414.13	10.89	-56.41
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1CC1	REAL300012560772	0	55	0.0	-67.45	407.26	11.15	-56.30
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560773	0	55	0.0	-66.40	416.82	11.18	-55.22
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560774	0	60	0.0	-66.02	439.92	11.68	-54.34
CC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560775	0	54	0.0	-66.73	396.82	8.18	-58.55
CC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)(C(=O)[O-])C1CC1	REAL300012560776	0	58	0.0	-82.81	419.71	9.92	-72.89
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCCCC1	REAL300012560777	0	61	0.0	-84.50	435.59	11.02	-73.48
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560778	0	57	0.0	-67.30	414.13	10.89	-56.41
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560779	0	57	0.0	-66.61	425.51	11.38	-55.23
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560780	0	54	0.0	-79.39	404.01	10.62	-68.77
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560781	0	60	0.0	-80.10	436.59	9.80	-70.30
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCCC1	REAL300012560782	0	58	0.0	-85.01	420.50	9.88	-75.13
CCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560783	0	57	0.0	-80.56	410.21	9.18	-71.38
C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560784	0	51	0.0	-68.59	384.25	7.78	-60.81
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560785	0	54	0.0	-79.39	404.01	10.62	-68.77
C[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560786	0	51	0.0	-69.05	384.56	7.75	-61.30
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CC1	REAL300012560787	0	52	0.0	-86.23	390.40	8.99	-77.24
O=C([O-])C1COCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560788	0	56	0.0	-87.51	407.33	9.32	-78.19
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1CC1	REAL300012560789	0	55	0.0	-80.19	415.83	9.34	-70.85
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560790	0	58	0.0	-67.14	435.38	9.80	-57.34
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560791	0	55	0.0	-87.40	405.59	10.41	-76.99
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560792	0	58	0.0	-90.58	415.70	11.74	-78.84
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560793	0	54	0.0	-74.50	396.60	9.77	-64.73
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560794	0	55	0.0	-86.63	404.41	10.75	-75.88
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCC1	REAL300012560795	0	55	0.0	-85.46	407.20	9.51	-75.95
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560796	0	55	0.0	-79.42	419.36	9.26	-70.16
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560797	0	58	0.0	-86.62	421.91	11.27	-75.35
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560798	0	61	0.0	-88.37	430.87	12.58	-75.79
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1CC1	REAL300012560799	0	55	0.0	-80.19	415.83	9.34	-70.85
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560800	0	54	0.0	-74.61	396.03	9.81	-64.80
CCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560801	0	60	0.0	-79.73	449.08	10.36	-69.37
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560802	0	58	0.0	-86.57	422.20	11.26	-75.31
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1CCCC1	REAL300012560803	0	61	0.0	-66.69	440.35	12.19	-54.50
COCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560804	0	55	0.0	-81.29	417.80	7.09	-74.20
CCCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560805	0	63	0.0	-79.41	470.33	11.19	-68.22
CN(C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1(C(=O)[O-])CCCC1	REAL300012560806	0	61	0.0	-87.12	431.52	11.61	-75.51
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1CC1	REAL300012560807	0	58	0.0	-67.15	422.45	11.20	-55.95
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1CC1	REAL300012560808	0	61	0.0	-66.41	443.92	12.49	-53.92
COCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560809	0	58	0.0	-84.65	428.46	8.46	-76.19
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560810	0	61	0.0	-76.26	448.46	10.12	-66.14
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560811	0	60	0.0	-66.02	439.92	11.68	-54.34
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1CC1	REAL300012560812	0	55	0.0	-67.45	407.26	11.15	-56.30
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCOC1	REAL300012560813	0	56	0.0	-80.21	411.60	7.32	-72.89
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCOCC1	REAL300012560814	0	59	0.0	-83.54	427.02	8.53	-75.01
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560815	0	58	0.0	-79.19	440.15	10.19	-69.00
O=C([O-])C(CF)NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560816	0	51	0.0	-67.27	388.18	7.78	-59.49
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560817	0	54	0.0	-74.61	396.03	9.81	-64.80
CCC(CC)(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560818	0	60	0.0	-81.89	426.89	10.06	-71.83
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560819	0	60	0.0	-64.95	437.32	12.06	-52.89
CCC(COC)(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560820	0	61	0.0	-86.54	444.90	9.38	-77.16
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560821	0	58	0.0	-79.71	437.95	10.30	-69.41
COCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560822	0	58	0.0	-79.59	439.75	7.87	-71.72
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560823	0	63	0.0	-75.21	455.41	12.29	-62.92
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560824	0	54	0.0	-78.59	418.43	9.10	-69.49
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(C)C(=O)[O-]	REAL300012560825	0	60	0.0	-64.21	436.29	12.24	-51.97
O=C([O-])C(CCF)NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560826	0	54	0.0	-77.90	412.67	8.95	-68.95
CC(CCF)(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560827	0	57	0.0	-77.57	416.81	9.31	-68.26
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560828	0	55	0.0	-80.20	419.97	10.46	-69.74
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560829	0	54	0.0	-74.21	397.09	9.87	-64.34
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560830	0	56	0.0	-92.49	412.14	11.35	-81.14
CC(C)(C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560831	0	60	0.0	-80.93	436.87	9.91	-71.02
C=C(Cl)CC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560832	0	55	0.0	-75.90	434.31	9.99	-65.91
C=C(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560833	0	58	0.0	-80.28	436.83	10.28	-70.00
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560834	0	59	0.0	-95.20	427.43	12.12	-83.08
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560835	0	55	0.0	-79.00	417.76	10.91	-68.09
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560836	0	55	0.0	-83.44	411.55	10.82	-72.62
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300012560837	0	56	0.0	-86.79	419.06	10.77	-76.02
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560838	0	60	0.0	-79.92	444.76	10.13	-69.79
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1=CC=CC=C1	REAL300012560839	0	58	0.0	-81.06	441.61	10.90	-70.16
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560840	0	58	0.0	-79.71	437.95	10.30	-69.41
CSCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560841	0	55	0.0	-77.46	429.53	9.22	-68.24
COC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560842	0	55	0.0	-80.99	417.93	7.04	-73.95
CC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560843	0	54	0.0	-79.46	406.08	8.80	-70.66
CCC(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560844	0	63	0.0	-80.67	463.14	10.76	-69.91
C=CCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560845	0	61	0.0	-79.47	461.65	10.97	-68.50
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560846	0	56	0.0	-87.37	415.73	11.73	-75.64
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560847	0	55	0.0	-87.40	405.59	10.41	-76.99
CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560848	0	57	0.0	-79.51	427.33	9.63	-69.88
CC(C)[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560849	0	57	0.0	-79.38	421.20	9.41	-69.97
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560850	0	59	0.0	-93.43	426.36	12.30	-81.13
CCN(C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012560851	0	60	0.0	-84.53	430.80	11.59	-72.94
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(C)C(=O)[O-]	REAL300012560852	0	60	0.0	-64.21	436.29	12.24	-51.97
CN(C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012560853	0	57	0.0	-84.42	411.22	10.72	-73.70
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560854	0	55	0.0	-86.63	404.41	10.75	-75.88
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560855	0	56	0.0	-88.72	417.07	7.04	-81.68
CCC[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560856	0	57	0.0	-79.83	427.57	9.57	-70.26
O=C([O-])[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1=CC=CC=C1	REAL300012560857	0	58	0.0	-81.61	442.01	10.96	-70.65
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560858	0	58	0.0	-79.19	440.15	10.19	-69.00
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560859	0	58	0.0	-87.01	422.15	11.29	-75.72
CC(C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560860	0	57	0.0	-78.95	417.21	9.12	-69.83
O=C([O-])[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1=CC=CC=C1	REAL300012560861	0	58	0.0	-81.06	441.61	10.90	-70.16
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560862	0	54	0.0	-74.21	397.09	9.87	-64.34
CCC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560863	0	57	0.0	-79.42	427.58	9.56	-69.86
CCN(C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(C)C(=O)[O-]	REAL300012560864	0	57	0.0	-75.02	413.28	10.55	-64.47
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1CCCC1	REAL300012560865	0	61	0.0	-66.69	440.35	12.19	-54.50
CC(CN(C)C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560866	0	57	0.0	-77.51	416.43	10.28	-67.23
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560867	0	60	0.0	-80.10	436.59	9.80	-70.30
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560868	0	57	0.0	-74.80	417.67	11.01	-63.79
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CC(CO)C1	REAL300012560869	0	59	0.0	-86.15	439.47	6.81	-79.34
CC1CCC(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)(C(=O)[O-])C1	REAL300012560870	0	61	0.0	-85.20	442.14	10.54	-74.66
COCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560871	0	58	0.0	-79.59	439.75	7.87	-71.72
CC1(C)CC(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)(C(=O)[O-])C1	REAL300012560872	0	61	0.0	-86.31	443.41	11.21	-75.10
CC1(C(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C(=O)[O-])CC1	REAL300012560873	0	58	0.0	-80.53	434.80	9.93	-70.60
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560874	0	56	0.0	-93.91	416.82	7.18	-86.73
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1CCOC1	REAL300012560875	0	59	0.0	-80.12	432.85	7.84	-72.28
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560876	0	59	0.0	-91.14	427.20	11.87	-79.27
O=C([O-])C12COC(CN1C(=O)NCC1=CC=C(C[NH+]3CCCCCC3)C=C1)C2	REAL300012560877	0	57	0.0	-87.98	419.46	9.54	-78.44
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300012560878	0	61	0.0	-91.15	437.00	12.57	-78.58
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1CCC1	REAL300012560879	0	58	0.0	-80.58	425.74	9.76	-70.82
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1CCC1	REAL300012560880	0	58	0.0	-80.58	425.74	9.76	-70.82
CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1C(=O)[O-]	REAL300012560881	0	58	0.0	-88.08	426.19	11.02	-77.06
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560882	0	55	0.0	-79.42	419.36	9.26	-70.16
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560883	0	59	0.0	-67.04	427.62	11.74	-55.30
COC1CC(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)(C(=O)[O-])C1	REAL300012560884	0	59	0.0	-87.74	440.56	8.48	-79.26
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CC(F)(F)C1	REAL300012560885	0	55	0.0	-83.32	415.63	9.54	-73.78
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)(C(=O)[O-])C1	REAL300012560886	0	59	0.0	-81.52	438.79	8.38	-73.14
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560887	0	61	0.0	-89.37	435.22	12.49	-76.88
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)COC1	REAL300012560888	0	53	0.0	-78.90	398.17	6.54	-72.36
CC(C)C(C)(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560889	0	60	0.0	-81.25	425.13	9.80	-71.45
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560890	0	56	0.0	-91.54	412.52	11.88	-79.66
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560891	0	59	0.0	-89.28	428.03	11.30	-77.98
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560892	0	60	0.0	-75.70	430.79	11.62	-64.08
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560893	0	55	0.0	-83.44	411.55	10.82	-72.62
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560894	0	57	0.0	-65.61	420.92	11.53	-54.08
CC1(C)CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1C(=O)[O-]	REAL300012560895	0	61	0.0	-88.09	437.16	11.67	-76.42
CC(C)CCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560896	0	63	0.0	-79.67	466.40	10.93	-68.74
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560897	0	62	0.0	-65.91	452.64	12.16	-53.75
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCCC2CC21	REAL300012560898	0	62	0.0	-86.64	441.44	11.66	-74.98
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCC2CC21	REAL300012560899	0	59	0.0	-86.11	428.57	10.75	-75.36
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CC2(CCC2)C1	REAL300012560900	0	62	0.0	-85.25	449.81	11.14	-74.11
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1CCCC1	REAL300012560901	0	61	0.0	-81.05	442.24	10.39	-70.66
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560902	0	58	0.0	-80.91	436.08	8.04	-72.87
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560903	0	58	0.0	-88.87	429.31	10.56	-78.31
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300012560904	0	61	0.0	-66.22	447.07	11.46	-54.76
O=C([O-])C1N(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCC1(F)F	REAL300012560905	0	55	0.0	-88.77	416.50	10.85	-77.92
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560906	0	62	0.0	-89.70	443.95	11.90	-77.80
COCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560907	0	61	0.0	-79.07	461.01	8.70	-70.37
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560908	0	60	0.0	-75.12	439.05	11.72	-63.40
CCOCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560909	0	58	0.0	-81.72	439.65	8.07	-73.65
CC(C)(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560910	0	63	0.0	-80.11	456.93	11.20	-68.91
C[C@H]1OCCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)[C@@H]1C(=O)[O-]	REAL300012560911	0	59	0.0	-87.69	427.06	10.05	-77.64
N#CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300012560912	0	55	0.0	-79.50	426.69	9.37	-70.13
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560913	0	58	0.0	-67.96	444.67	11.77	-56.19
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300012560914	0	54	0.0	-74.50	396.60	9.77	-64.73
CC(C)C[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560915	0	60	0.0	-79.75	444.75	10.18	-69.57
C=CCOCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560916	0	59	0.0	-79.78	451.72	8.60	-71.18
C=CC(C)C(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560917	0	58	0.0	-72.11	437.12	9.97	-62.14
CC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C(C(=O)[O-])C1	REAL300012560918	0	61	0.0	-89.44	430.29	12.34	-77.10
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560919	0	57	0.0	-67.15	425.02	11.40	-55.75
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1CCC1	REAL300012560920	0	61	0.0	-61.89	438.49	11.76	-50.13
CCCN(C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(CC)C(=O)[O-]	REAL300012560921	0	63	0.0	-75.67	452.13	12.44	-63.23
CC(C)C(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560922	0	57	0.0	-72.16	420.71	9.43	-62.73
O=C([O-])C1CCCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560923	0	58	0.0	-89.12	416.16	11.98	-77.14
O=C([O-])C1CSCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560924	0	56	0.0	-84.82	415.74	11.72	-73.10
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCCCC1	REAL300012560925	0	61	0.0	-79.59	435.59	11.01	-68.58
O=C([O-])C1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560926	0	55	0.0	-86.33	405.06	10.72	-75.61
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCCC1	REAL300012560927	0	58	0.0	-79.64	421.08	9.91	-69.73
O=C([O-])CNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560928	0	48	0.0	-64.76	362.97	6.98	-57.78
O=C([O-])[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1=CC=CC=C1	REAL300012560929	0	58	0.0	-77.56	442.19	10.87	-66.69
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1=CC=CC=C1	REAL300012560930	0	58	0.0	-79.15	441.12	10.92	-68.23
CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560931	0	54	0.0	-78.24	405.59	8.82	-69.42
CC(C)C(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560932	0	57	0.0	-72.16	420.71	9.43	-62.73
CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560933	0	51	0.0	-72.16	381.71	9.66	-62.50
CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560934	0	51	0.0	-64.48	383.76	7.80	-56.68
CCC(C)C(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560935	0	60	0.0	-79.67	440.57	10.02	-69.65
CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560936	0	51	0.0	-72.16	381.71	9.66	-62.50
O=C([O-])C1CCCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560937	0	58	0.0	-89.12	416.16	11.98	-77.14
CCCC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560938	0	60	0.0	-79.19	431.23	9.95	-69.24
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560939	0	57	0.0	-67.87	413.64	10.91	-56.96
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1CC1	REAL300012560940	0	55	0.0	-75.38	408.94	11.00	-64.38
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560941	0	55	0.0	-66.89	416.33	11.20	-55.69
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560942	0	60	0.0	-66.77	439.43	11.70	-55.07
CC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560943	0	54	0.0	-63.80	396.34	8.20	-55.60
CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)(C(=O)[O-])C1CC1	REAL300012560944	0	58	0.0	-77.49	419.92	9.94	-67.55
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCCCC1	REAL300012560945	0	61	0.0	-79.59	435.59	11.01	-68.58
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560946	0	57	0.0	-67.87	413.64	10.91	-56.96
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560947	0	57	0.0	-67.15	425.02	11.40	-55.75
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560948	0	54	0.0	-72.25	403.52	10.64	-61.61
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560949	0	60	0.0	-80.72	437.25	9.75	-70.97
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCCC1	REAL300012560950	0	58	0.0	-79.64	421.08	9.91	-69.73
CCC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560951	0	57	0.0	-78.85	409.73	9.20	-69.65
C[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560952	0	51	0.0	-67.72	384.02	7.80	-59.92
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560953	0	54	0.0	-72.25	403.52	10.64	-61.61
C[C@@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560954	0	51	0.0	-64.53	383.76	7.80	-56.73
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CC1	REAL300012560955	0	52	0.0	-82.20	390.39	9.00	-73.20
O=C([O-])C1COCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560956	0	56	0.0	-84.56	407.33	9.31	-75.25
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1CC1	REAL300012560957	0	55	0.0	-74.16	411.97	9.32	-64.84
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560958	0	58	0.0	-67.65	434.90	9.82	-57.83
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560959	0	55	0.0	-85.77	405.81	10.41	-75.36
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560960	0	58	0.0	-84.96	415.22	11.74	-73.22
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560961	0	54	0.0	-70.67	397.04	9.86	-60.81
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560962	0	55	0.0	-80.14	405.78	10.44	-69.70
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCC1	REAL300012560963	0	55	0.0	-84.93	407.53	9.51	-75.42
C=CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560964	0	55	0.0	-77.39	418.07	9.28	-68.11
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560965	0	58	0.0	-86.70	421.85	11.26	-75.44
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560966	0	61	0.0	-89.17	428.99	12.35	-76.82
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1CC1	REAL300012560967	0	55	0.0	-74.16	411.97	9.32	-64.84
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560968	0	54	0.0	-73.47	395.68	9.89	-63.58
CCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560969	0	60	0.0	-78.25	448.59	10.36	-67.89
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560970	0	58	0.0	-86.63	422.19	11.26	-75.37
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1CCCC1	REAL300012560971	0	61	0.0	-67.90	440.28	12.18	-55.72
COCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560972	0	55	0.0	-79.74	416.96	7.05	-72.69
CCCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560973	0	63	0.0	-78.19	470.09	11.14	-67.05
CN(C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1(C(=O)[O-])CCCC1	REAL300012560974	0	61	0.0	-87.36	431.52	11.61	-75.75
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1CC1	REAL300012560975	0	58	0.0	-68.39	422.44	11.19	-57.20
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1CC1	REAL300012560976	0	61	0.0	-61.22	443.93	12.48	-48.74
COCC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560977	0	58	0.0	-83.04	427.98	8.47	-74.57
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560978	0	61	0.0	-74.73	447.73	10.19	-64.54
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560979	0	60	0.0	-66.77	439.43	11.70	-55.07
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1CC1	REAL300012560980	0	55	0.0	-75.38	408.94	11.00	-64.38
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCOC1	REAL300012560981	0	56	0.0	-79.34	411.72	7.30	-72.04
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCOCC1	REAL300012560982	0	59	0.0	-78.51	427.01	8.51	-70.00
C=CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560983	0	58	0.0	-77.34	439.07	10.16	-67.18
O=C([O-])C(CF)NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560984	0	51	0.0	-64.10	387.38	7.81	-56.29
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560985	0	54	0.0	-73.47	395.68	9.89	-63.58
CCC(CC)(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560986	0	60	0.0	-74.57	426.11	10.09	-64.48
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560987	0	60	0.0	-65.76	436.60	12.13	-53.63
CCC(COC)(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560988	0	61	0.0	-84.63	444.65	9.39	-75.24
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560989	0	58	0.0	-77.75	436.37	10.38	-67.37
COCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560990	0	58	0.0	-77.99	438.43	7.89	-70.10
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560991	0	63	0.0	-75.85	454.83	12.26	-63.59
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560992	0	54	0.0	-76.64	417.11	9.12	-67.52
CCCN(C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(C)C(=O)[O-]	REAL300012560993	0	60	0.0	-64.68	435.87	12.27	-52.41
O=C([O-])C(CCF)NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560994	0	54	0.0	-76.28	411.35	8.97	-67.31
CC(CCF)(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560995	0	57	0.0	-75.67	416.32	9.34	-66.33
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560996	0	55	0.0	-77.72	418.80	10.58	-67.14
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560997	0	54	0.0	-73.45	395.55	9.83	-63.62
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012560998	0	56	0.0	-89.77	412.14	11.34	-78.43
CC(C)(C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012560999	0	60	0.0	-80.35	436.41	10.00	-70.35
C=C(Cl)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561000	0	55	0.0	-78.15	434.03	9.89	-68.26
C=C(C)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561001	0	58	0.0	-78.00	438.61	10.03	-67.97
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561002	0	59	0.0	-90.44	426.44	12.18	-78.26
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561003	0	55	0.0	-73.18	418.03	10.89	-62.29
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561004	0	55	0.0	-83.70	411.33	10.80	-72.90
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300012561005	0	56	0.0	-86.61	419.23	10.81	-75.80
CC(C)C[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561006	0	60	0.0	-79.75	444.75	10.18	-69.57
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1=CC=CC=C1	REAL300012561007	0	58	0.0	-79.15	441.12	10.92	-68.23
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561008	0	58	0.0	-77.75	436.37	10.38	-67.37
CSCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561009	0	55	0.0	-75.50	429.06	9.23	-66.27
COC[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561010	0	55	0.0	-80.99	417.39	7.02	-73.97
CC[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561011	0	54	0.0	-79.51	406.02	8.80	-70.71
CCC(C)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561012	0	63	0.0	-78.31	461.69	10.79	-67.52
C=CCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561013	0	61	0.0	-77.34	460.57	10.94	-66.40
O=C([O-])C1CSCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561014	0	56	0.0	-84.82	415.74	11.72	-73.10
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561015	0	55	0.0	-85.77	405.81	10.41	-75.36
CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561016	0	57	0.0	-77.79	426.26	9.61	-68.18
CC(C)[C@@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561017	0	57	0.0	-74.99	417.45	9.20	-65.79
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561018	0	59	0.0	-92.37	426.48	12.25	-80.12
CCN(C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(C)(C)C(=O)[O-]	REAL300012561019	0	60	0.0	-76.61	430.26	11.58	-65.03
CCCN(C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(C)C(=O)[O-]	REAL300012561020	0	60	0.0	-64.68	435.87	12.27	-52.41
CN(C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(C)(C)C(=O)[O-]	REAL300012561021	0	57	0.0	-76.63	410.82	10.71	-65.92
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561022	0	55	0.0	-80.14	405.78	10.44	-69.70
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561023	0	56	0.0	-87.52	416.85	7.01	-80.51
CCC[C@@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561024	0	57	0.0	-72.37	426.85	9.65	-62.72
O=C([O-])[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1=CC=CC=C1	REAL300012561025	0	58	0.0	-77.56	442.19	10.87	-66.69
C=CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561026	0	58	0.0	-77.34	439.07	10.16	-67.18
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561027	0	58	0.0	-81.74	421.90	11.28	-70.46
CC(C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561028	0	57	0.0	-79.11	417.14	9.10	-70.01
O=C([O-])[C@@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1=CC=CC=C1	REAL300012561029	0	58	0.0	-79.15	441.12	10.92	-68.23
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561030	0	54	0.0	-73.45	395.55	9.83	-63.62
CCC[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561031	0	57	0.0	-79.52	427.51	9.56	-69.96
CCN(C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(C)C(=O)[O-]	REAL300012561032	0	57	0.0	-68.86	413.30	10.67	-58.19
O=C([O-])CN(C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1CCCC1	REAL300012561033	0	61	0.0	-67.90	440.28	12.18	-55.72
CC(CN(C)C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561034	0	57	0.0	-74.27	416.82	10.32	-63.95
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561035	0	60	0.0	-80.72	437.25	9.75	-70.97
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561036	0	57	0.0	-75.66	416.44	10.79	-64.87
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CC(CO)C1	REAL300012561037	0	59	0.0	-81.62	439.47	6.80	-74.82
CC1CCC(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)(C(=O)[O-])C1	REAL300012561038	0	61	0.0	-79.92	442.35	10.55	-69.37
COCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561039	0	58	0.0	-77.99	438.43	7.89	-70.10
CC1(C)CC(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)(C(=O)[O-])C1	REAL300012561040	0	61	0.0	-81.39	443.84	11.24	-70.15
CC1(C(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C(=O)[O-])CC1	REAL300012561041	0	58	0.0	-74.38	427.05	10.16	-64.22
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561042	0	56	0.0	-87.79	415.52	7.18	-80.61
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1CCOC1	REAL300012561043	0	59	0.0	-75.49	435.68	7.84	-67.65
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561044	0	59	0.0	-90.46	426.70	11.83	-78.63
O=C([O-])C12COC(CN1C(=O)NCC1=CC=CC(C[NH+]3CCCCCC3)=C1)C2	REAL300012561045	0	57	0.0	-85.24	419.20	9.62	-75.62
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300012561046	0	61	0.0	-88.60	437.09	12.59	-76.01
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1CCC1	REAL300012561047	0	58	0.0	-73.94	425.72	9.71	-64.23
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1CCC1	REAL300012561048	0	58	0.0	-73.94	425.72	9.71	-64.23
CC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1C(=O)[O-]	REAL300012561049	0	58	0.0	-83.04	421.01	10.87	-72.17
C=CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561050	0	55	0.0	-77.39	418.07	9.28	-68.11
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561051	0	59	0.0	-67.36	428.46	11.73	-55.63
COC1CC(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)(C(=O)[O-])C1	REAL300012561052	0	59	0.0	-82.86	440.66	8.47	-74.39
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CC(F)(F)C1	REAL300012561053	0	55	0.0	-78.61	415.63	9.53	-69.08
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)(C(=O)[O-])C1	REAL300012561054	0	59	0.0	-77.19	438.67	8.37	-68.82
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561055	0	61	0.0	-84.15	435.16	12.48	-71.67
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)COC1	REAL300012561056	0	53	0.0	-74.87	398.02	6.55	-68.32
CC(C)C(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561057	0	60	0.0	-74.46	426.46	9.88	-64.58
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561058	0	56	0.0	-87.87	412.11	11.91	-75.96
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561059	0	59	0.0	-81.30	427.90	11.52	-69.78
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561060	0	60	0.0	-76.06	430.63	11.69	-64.37
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561061	0	55	0.0	-83.70	411.33	10.80	-72.90
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561062	0	57	0.0	-67.34	420.93	11.52	-55.82
CC1(C)CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1C(=O)[O-]	REAL300012561063	0	61	0.0	-87.64	437.15	11.66	-75.98
CC(C)CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561064	0	63	0.0	-78.42	466.15	10.88	-67.54
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561065	0	62	0.0	-59.08	451.71	12.20	-46.88
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCCC2CC21	REAL300012561066	0	62	0.0	-85.44	440.95	11.67	-73.77
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCC2CC21	REAL300012561067	0	59	0.0	-84.92	428.08	10.76	-74.16
O=C([O-])C1(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CC2(CCC2)C1	REAL300012561068	0	62	0.0	-80.11	449.82	11.13	-68.98
O=C([O-])C(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1CCCC1	REAL300012561069	0	61	0.0	-73.59	441.75	10.41	-63.18
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561070	0	58	0.0	-81.09	436.02	8.03	-73.06
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561071	0	58	0.0	-85.54	429.29	10.55	-74.99
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300012561072	0	61	0.0	-59.12	444.66	11.50	-47.62
O=C([O-])C1N(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCC1(F)F	REAL300012561073	0	55	0.0	-88.89	416.51	10.84	-78.05
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561074	0	62	0.0	-81.99	443.36	12.09	-69.90
COCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561075	0	61	0.0	-77.33	460.76	8.65	-68.68
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561076	0	60	0.0	-74.59	437.51	11.59	-63.00
CCOCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561077	0	58	0.0	-80.32	439.30	8.04	-72.28
CC(C)(C)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561078	0	63	0.0	-73.31	456.42	11.21	-62.10
C[C@H]1OCCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)[C@@H]1C(=O)[O-]	REAL300012561079	0	59	0.0	-84.31	427.55	10.29	-74.02
N#CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300012561080	0	55	0.0	-78.75	425.61	9.33	-69.42
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561081	0	58	0.0	-68.04	444.18	11.78	-56.26
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300012561082	0	54	0.0	-70.67	397.04	9.86	-60.81
CC(C)C[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561083	0	60	0.0	-79.99	456.26	10.59	-69.40
C=CCOCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561084	0	59	0.0	-81.61	464.19	9.03	-72.58
C=CC(C)C(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561085	0	58	0.0	-72.63	447.59	10.40	-62.23
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(C)CC3C(=O)[O-])=C2)CC1	REAL300012561086	0	61	0.0	-90.70	441.79	12.78	-77.92
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561087	0	57	0.0	-67.76	437.00	11.81	-55.95
CC(C(=O)[O-])N(C(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C1CCC1	REAL300012561088	0	61	0.0	-66.77	449.76	12.15	-54.62
CCCN(C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(CC)C(=O)[O-]	REAL300012561089	0	63	0.0	-78.53	464.06	12.83	-65.70
CC(C)C(NC(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300012561090	0	57	0.0	-74.88	429.68	9.57	-65.31
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCCCC3C(=O)[O-])=C2)CC1	REAL300012561091	0	58	0.0	-90.24	427.66	12.42	-77.82
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCSCC3C(=O)[O-])=C2)CC1	REAL300012561092	0	56	0.0	-83.33	427.48	12.29	-71.04
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCCCC3)=C2)CC1	REAL300012561093	0	61	0.0	-84.57	447.09	11.46	-73.11
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCCC3C(=O)[O-])=C2)CC1	REAL300012561094	0	55	0.0	-86.28	416.34	11.16	-75.12
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCCC3)=C2)CC1	REAL300012561095	0	58	0.0	-78.68	432.57	10.37	-68.31
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCC(=O)[O-])=C2)CC1	REAL300012561096	0	48	0.0	-65.51	374.95	7.39	-58.12
CC1CC[NH+](CC2=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=C2)CC1	REAL300012561097	0	58	0.0	-76.12	453.51	11.40	-64.72
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)=C2)CC1	REAL300012561098	0	58	0.0	-80.94	453.10	11.34	-69.60
CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561099	0	54	0.0	-79.66	416.74	9.25	-70.41
CC(C)C(NC(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300012561100	0	57	0.0	-74.88	429.68	9.57	-65.31
CC1CC[NH+](CC2=CC=CC(CNC(=O)N(C)CC(=O)[O-])=C2)CC1	REAL300012561101	0	51	0.0	-73.86	393.69	10.08	-63.78
CC(NC(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300012561102	0	51	0.0	-65.66	396.06	8.18	-57.48
CCC(C)C(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561103	0	60	0.0	-81.55	452.55	10.44	-71.11
CC1CC[NH+](CC2=CC=CC(CNC(=O)N(C)CC(=O)[O-])=C2)CC1	REAL300012561104	0	51	0.0	-73.86	393.69	10.08	-63.78
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCCCC3C(=O)[O-])=C2)CC1	REAL300012561105	0	58	0.0	-90.24	427.66	12.42	-77.82
CCCC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561106	0	60	0.0	-81.38	443.21	10.37	-71.01
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1	REAL300012561107	0	57	0.0	-68.47	425.62	11.33	-57.14
CC1CC[NH+](CC2=CC=CC(CNC(=O)N(CC(=O)[O-])C3CC3)=C2)CC1	REAL300012561108	0	55	0.0	-79.74	420.44	11.44	-68.30
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561109	0	55	0.0	-67.45	428.32	11.62	-55.83
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561110	0	60	0.0	-67.22	451.42	12.12	-55.10
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(C)(C)C(=O)[O-])=C2)CC1	REAL300012561111	0	54	0.0	-64.26	408.32	8.62	-55.64
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C3CC3)=C2)CC1	REAL300012561112	0	58	0.0	-82.15	431.21	10.37	-71.78
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCCCC3)=C2)CC1	REAL300012561113	0	61	0.0	-84.57	447.09	11.46	-73.11
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1	REAL300012561114	0	57	0.0	-68.47	425.62	11.33	-57.14
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561115	0	57	0.0	-67.76	437.00	11.81	-55.95
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561116	0	54	0.0	-74.03	415.50	11.06	-62.97
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561117	0	60	0.0	-80.10	448.08	10.25	-69.85
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCCC3)=C2)CC1	REAL300012561118	0	58	0.0	-78.68	432.57	10.37	-68.31
CCC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561119	0	57	0.0	-81.03	421.71	9.61	-71.42
C[C@H](NC(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300012561120	0	51	0.0	-65.39	395.58	8.24	-57.15
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561121	0	54	0.0	-74.03	415.50	11.06	-62.97
C[C@@H](NC(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300012561122	0	51	0.0	-67.80	396.05	8.18	-59.62
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CC3)=C2)CC1	REAL300012561123	0	52	0.0	-84.86	401.89	9.45	-75.41
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCOCC3C(=O)[O-])=C2)CC1	REAL300012561124	0	56	0.0	-84.57	418.83	9.75	-74.82
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CC3)=C2)CC1	REAL300012561125	0	55	0.0	-74.75	421.80	9.72	-65.03
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561126	0	58	0.0	-67.94	446.88	10.24	-57.70
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC[C@@H]3C(=O)[O-])=C2)CC1	REAL300012561127	0	55	0.0	-86.78	416.75	10.78	-76.00
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])=C2)CC1	REAL300012561128	0	58	0.0	-86.76	426.85	12.09	-74.67
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1	REAL300012561129	0	54	0.0	-73.81	408.09	10.21	-63.60
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC[C@H]3C(=O)[O-])=C2)CC1	REAL300012561130	0	55	0.0	-81.39	416.72	10.81	-70.58
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCC3)=C2)CC1	REAL300012561131	0	55	0.0	-84.82	418.81	9.95	-74.87
C=CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561132	0	55	0.0	-79.30	430.06	9.70	-69.60
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCCC3(C)C(=O)[O-])=C2)CC1	REAL300012561133	0	58	0.0	-87.97	433.41	11.71	-76.26
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCCCCC3C(=O)[O-])=C2)CC1	REAL300012561134	0	61	0.0	-89.03	440.49	12.81	-76.22
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CC3)=C2)CC1	REAL300012561135	0	55	0.0	-74.75	421.80	9.72	-65.03
CC(C(=O)[O-])N(C)C(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1	REAL300012561136	0	54	0.0	-75.09	407.53	10.25	-64.84
CCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561137	0	60	0.0	-79.71	459.74	10.80	-68.91
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])=C2)CC1	REAL300012561138	0	58	0.0	-86.67	433.15	11.64	-75.03
CC1CC[NH+](CC2=CC=CC(CNC(=O)N(CC(=O)[O-])C3CCCC3)=C2)CC1	REAL300012561139	0	61	0.0	-67.19	451.84	12.63	-54.56
COCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561140	0	55	0.0	-81.37	428.95	7.46	-73.91
CCCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561141	0	63	0.0	-79.69	481.24	11.58	-68.11
CC1CC[NH+](CC2=CC=CC(CNC(=O)N(C)C3(C(=O)[O-])CCCC3)=C2)CC1	REAL300012561142	0	61	0.0	-81.03	443.02	12.06	-68.97
CC(C(=O)[O-])N(C(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C1CC1	REAL300012561143	0	58	0.0	-61.50	433.94	11.64	-49.86
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C1CC1	REAL300012561144	0	61	0.0	-66.63	454.60	12.74	-53.89
COCC(C)(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561145	0	58	0.0	-85.12	439.95	8.90	-76.22
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561146	0	61	0.0	-76.16	460.21	10.72	-65.44
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561147	0	60	0.0	-67.22	451.42	12.12	-55.10
CC1CC[NH+](CC2=CC=CC(CNC(=O)N(CC(=O)[O-])C3CC3)=C2)CC1	REAL300012561148	0	55	0.0	-79.74	420.44	11.44	-68.30
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCOC3)=C2)CC1	REAL300012561149	0	56	0.0	-74.84	423.09	7.76	-67.08
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCOCC3)=C2)CC1	REAL300012561150	0	59	0.0	-77.43	438.51	8.97	-68.46
C=CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561151	0	58	0.0	-79.59	451.88	10.56	-69.03
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(CF)C(=O)[O-])=C2)CC1	REAL300012561152	0	51	0.0	-65.05	399.36	8.23	-56.82
CC(C(=O)[O-])N(C)C(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1	REAL300012561153	0	54	0.0	-75.09	407.53	10.25	-64.84
CCC(CC)(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561154	0	60	0.0	-76.54	438.09	10.50	-66.04
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561155	0	60	0.0	-66.22	448.58	12.55	-53.67
CCC(COC)(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561156	0	61	0.0	-87.04	456.63	9.80	-77.24
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(CC3CC3)C(=O)[O-])=C2)CC1	REAL300012561157	0	58	0.0	-79.41	449.18	10.81	-68.60
COCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561158	0	58	0.0	-80.18	451.25	8.30	-71.88
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561159	0	63	0.0	-76.24	465.82	12.73	-63.51
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(CC(F)F)C(=O)[O-])=C2)CC1	REAL300012561160	0	54	0.0	-78.69	429.09	9.54	-69.15
CCCN(C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(C)C(=O)[O-]	REAL300012561161	0	60	0.0	-70.64	446.66	11.78	-58.86
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(CCF)C(=O)[O-])=C2)CC1	REAL300012561162	0	54	0.0	-78.10	423.33	9.39	-68.71
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(C)(CCF)C(=O)[O-])=C2)CC1	REAL300012561163	0	57	0.0	-77.71	428.30	9.75	-67.96
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])=C2)CC1	REAL300012561164	0	55	0.0	-78.64	429.72	10.95	-67.69
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1	REAL300012561165	0	54	0.0	-69.94	407.67	10.31	-59.63
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CC4CC3(C(=O)[O-])C4)=C2)CC1	REAL300012561166	0	56	0.0	-86.66	421.38	11.80	-74.86
CC1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C2)CC1	REAL300012561167	0	60	0.0	-80.98	448.36	10.36	-70.62
C=C(Cl)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561168	0	55	0.0	-80.48	446.01	10.31	-70.17
C=C(C)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561169	0	58	0.0	-80.15	450.33	10.44	-69.71
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)=C2)CC1	REAL300012561170	0	59	0.0	-94.05	438.43	12.59	-81.46
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=C2)CC1	REAL300012561171	0	55	0.0	-74.26	428.96	11.27	-62.99
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=C2)CC1	REAL300012561172	0	55	0.0	-83.75	422.55	11.19	-72.56
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[NH+]3CCC(C)CC3)=C2)C1	REAL300012561173	0	56	0.0	-86.56	430.19	11.18	-75.38
CC(C)C[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561174	0	60	0.0	-79.99	456.26	10.59	-69.40
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)=C2)CC1	REAL300012561175	0	58	0.0	-80.94	453.10	11.34	-69.60
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(CC3CC3)C(=O)[O-])=C2)CC1	REAL300012561176	0	58	0.0	-79.41	449.18	10.81	-68.60
CSCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561177	0	55	0.0	-76.68	440.37	9.68	-67.00
COC[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561178	0	55	0.0	-80.96	429.29	7.53	-73.43
CC[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561179	0	54	0.0	-74.24	417.57	9.24	-65.00
CCC(C)CC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561180	0	63	0.0	-80.71	474.51	11.19	-69.52
C=CCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561181	0	61	0.0	-79.16	472.55	11.36	-67.80
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCSCC3C(=O)[O-])=C2)CC1	REAL300012561182	0	56	0.0	-83.33	427.48	12.29	-71.04
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC[C@@H]3C(=O)[O-])=C2)CC1	REAL300012561183	0	55	0.0	-86.78	416.75	10.78	-76.00
CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561184	0	57	0.0	-79.60	438.24	10.01	-69.59
CC(C)[C@@H](NC(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300012561185	0	57	0.0	-80.13	434.61	9.82	-70.31
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])=C2)CC1	REAL300012561186	0	59	0.0	-91.15	437.63	12.64	-78.51
CCN(C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(C)(C)C(=O)[O-]	REAL300012561187	0	60	0.0	-78.99	442.25	12.00	-66.99
CCCN(C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(C)C(=O)[O-]	REAL300012561188	0	60	0.0	-70.64	446.66	11.78	-58.86
CC1CC[NH+](CC2=CC=CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])=C2)CC1	REAL300012561189	0	57	0.0	-78.97	422.80	11.12	-67.85
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC[C@H]3C(=O)[O-])=C2)CC1	REAL300012561190	0	55	0.0	-81.39	416.72	10.81	-70.58
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])=C2)CC1	REAL300012561191	0	56	0.0	-88.42	428.34	7.46	-80.96
CCC[C@@H](NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561192	0	57	0.0	-73.78	438.83	10.08	-63.70
CC1CC[NH+](CC2=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=C2)CC1	REAL300012561193	0	58	0.0	-76.12	453.51	11.40	-64.72
C=CCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561194	0	58	0.0	-79.59	451.88	10.56	-69.03
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])=C2)CC1	REAL300012561195	0	58	0.0	-86.63	433.12	11.65	-74.98
CC(C)[C@H](NC(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300012561196	0	57	0.0	-74.77	434.61	9.81	-64.96
CC1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)=C2)CC1	REAL300012561197	0	58	0.0	-75.79	453.11	11.34	-64.45
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1	REAL300012561198	0	54	0.0	-69.94	407.67	10.31	-59.63
CCC[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561199	0	57	0.0	-74.21	439.07	10.00	-64.21
CCN(C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(C)C(=O)[O-]	REAL300012561200	0	57	0.0	-70.20	424.77	10.98	-59.22
CC1CC[NH+](CC2=CC=CC(CNC(=O)N(CC(=O)[O-])C3CCCC3)=C2)CC1	REAL300012561201	0	61	0.0	-67.19	451.84	12.63	-54.56
CC(CN(C)C(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300012561202	0	57	0.0	-76.36	428.81	10.74	-65.62
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561203	0	60	0.0	-80.10	448.08	10.25	-69.85
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561204	0	57	0.0	-75.49	427.99	11.25	-64.24
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)=C2)CC1	REAL300012561205	0	59	0.0	-80.71	450.96	7.25	-73.46
CC1CCC(NC(=O)NCC2=CC(C[NH+]3CCC(C)CC3)=CC=C2)(C(=O)[O-])C1	REAL300012561206	0	61	0.0	-79.12	453.64	10.99	-68.13
COCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561207	0	58	0.0	-80.18	451.25	8.30	-71.88
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)=C2)CC1	REAL300012561208	0	61	0.0	-80.66	455.13	11.67	-68.99
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3(C)CC3)=C2)CC1	REAL300012561209	0	58	0.0	-81.66	439.04	10.58	-71.08
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])=C2)CC1	REAL300012561210	0	56	0.0	-92.73	427.01	7.63	-85.10
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CCOC3)=C2)CC1	REAL300012561211	0	59	0.0	-77.31	447.66	8.26	-69.05
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])=C2)CC1	REAL300012561212	0	59	0.0	-90.52	437.86	12.23	-78.29
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)=C2)CC1	REAL300012561213	0	57	0.0	-84.79	430.49	10.06	-74.73
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CC(C)CCC3C(=O)[O-])=C2)CC1	REAL300012561214	0	61	0.0	-89.79	448.58	13.02	-76.77
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CCC3)=C2)CC1	REAL300012561215	0	58	0.0	-75.36	437.70	10.13	-65.23
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CCC3)=C2)CC1	REAL300012561216	0	58	0.0	-75.36	437.70	10.13	-65.23
CC1CCN(C(=O)NCC2=CC(C[NH+]3CCC(C)CC3)=CC=C2)C1C(=O)[O-]	REAL300012561217	0	58	0.0	-87.84	437.68	11.47	-76.37
C=CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561218	0	55	0.0	-79.30	430.06	9.70	-69.60
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])=C2)CC1	REAL300012561219	0	59	0.0	-68.03	439.74	12.16	-55.87
COC1CC(NC(=O)NCC2=CC=CC(C[NH+]3CCC(C)CC3)=C2)(C(=O)[O-])C1	REAL300012561220	0	59	0.0	-80.55	450.30	8.83	-71.72
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)=C2)CC1	REAL300012561221	0	55	0.0	-78.70	427.13	9.98	-68.72
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC(C[NH+]3CCC(C)CC3)=C2)(C(=O)[O-])C1	REAL300012561222	0	59	0.0	-82.77	451.04	9.21	-73.56
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561223	0	61	0.0	-81.31	449.23	12.86	-68.45
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])COC3)=C2)CC1	REAL300012561224	0	53	0.0	-77.72	409.52	6.99	-70.73
CC(C)C(C)(NC(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300012561225	0	60	0.0	-75.97	436.64	10.24	-65.73
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=C2)CC1	REAL300012561226	0	56	0.0	-89.03	423.60	12.35	-76.68
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])=C2)CC1	REAL300012561227	0	59	0.0	-82.91	439.37	11.87	-71.04
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561228	0	60	0.0	-78.07	442.61	12.11	-65.96
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=C2)CC1	REAL300012561229	0	55	0.0	-83.75	422.55	11.19	-72.56
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])=C2)CC1	REAL300012561230	0	57	0.0	-66.17	432.42	11.96	-54.21
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])=C2)CC1	REAL300012561231	0	61	0.0	-89.00	448.65	12.10	-76.90
CC(C)CCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561232	0	63	0.0	-80.45	478.14	11.30	-69.15
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CC4(CCC4)CC3C(=O)[O-])=C2)CC1	REAL300012561233	0	62	0.0	-54.89	463.21	12.65	-42.24
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCCC4CC43)=C2)CC1	REAL300012561234	0	62	0.0	-78.41	455.64	11.84	-66.57
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CCC4CC43)=C2)CC1	REAL300012561235	0	59	0.0	-87.33	440.07	11.18	-76.15
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)=C2)CC1	REAL300012561236	0	62	0.0	-79.19	461.34	11.58	-67.61
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(C(=O)[O-])C3CCCC3)=C2)CC1	REAL300012561237	0	61	0.0	-80.88	454.04	10.74	-70.14
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561238	0	58	0.0	-75.35	447.58	8.48	-66.87
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300012561239	0	58	0.0	-82.88	440.30	10.93	-71.95
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])=C2)CC1	REAL300012561240	0	61	0.0	-67.16	456.16	11.95	-55.21
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])=C2)CC1	REAL300012561241	0	55	0.0	-88.82	427.99	11.30	-77.52
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=C2)CC1	REAL300012561242	0	62	0.0	-83.71	454.75	12.19	-71.52
COCCCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561243	0	61	0.0	-79.16	472.74	9.07	-70.09
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300012561244	0	60	0.0	-76.29	449.49	12.01	-64.28
CCOCC(NC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300012561245	0	58	0.0	-81.97	451.29	8.46	-73.51
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])=C2)CC1	REAL300012561246	0	63	0.0	-74.95	468.41	11.62	-63.33
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])=C2)CC1	REAL300012561247	0	59	0.0	-86.16	439.05	10.74	-75.42
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC(CCC#N)C(=O)[O-])=C2)CC1	REAL300012561248	0	55	0.0	-80.87	438.42	9.74	-71.13
CC1CC[NH+](CC2=CC=CC(CNC(=O)N(CC(=O)[O-])CC3=CC=CO3)=C2)CC1	REAL300012561249	0	58	0.0	-68.58	456.17	12.20	-56.38
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1	REAL300012561250	0	54	0.0	-73.81	408.09	10.21	-63.60
CC1=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])OC=C1	REAL300012561334	0	50	0.0	-62.88	392.48	6.19	-56.69
COC1=CC=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012561722	0	53	0.0	-68.65	418.35	4.05	-64.60
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC3(CC3)C2)CC1	REAL300012561946	0	57	0.0	-62.94	425.09	8.40	-54.54
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2=CN(C3CCC3)N=C2)CC1	REAL300012562172	0	54	0.0	-60.61	407.48	6.77	-53.84
CC(C)C[C@H](NC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562533	0	54	0.0	-69.39	404.06	9.15	-60.24
CC(C)C[C@H](NC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562533	1	54	0.0	-71.39	403.90	9.10	-62.29
C=CCOCC(NC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562534	0	53	0.0	-69.56	411.81	7.66	-61.90
C=CCOCC(NC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562534	1	53	0.0	-71.33	411.67	7.59	-63.74
C=CC(C)C(NC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562535	0	52	0.0	-70.24	396.86	8.97	-61.27
C=CC(C)C(NC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562535	1	52	0.0	-69.32	391.48	9.05	-60.27
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562536	0	56	0.0	-74.85	409.86	7.61	-67.24
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562536	1	56	0.0	-70.24	412.14	7.80	-62.44
COC1CCN(C(=O)NCC(C)[N@@H+]2CCC3=CC=CC=C3C2)C(C(=O)[O-])C1	REAL300012562537	0	56	0.0	-83.10	408.26	9.98	-73.12
COC1CCN(C(=O)NCC(C)[N@H+]2CCC3=CC=CC=C3C2)C(C(=O)[O-])C1	REAL300012562537	1	56	0.0	-80.06	408.71	10.11	-69.95
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562538	0	56	0.0	-69.77	413.32	7.92	-61.85
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562538	1	56	0.0	-70.86	414.99	7.89	-62.97
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562539	0	55	0.0	-81.44	389.13	11.09	-70.35
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562539	1	55	0.0	-80.59	389.46	11.35	-69.24
CC1=CC(C(NC(=O)NCC(C)[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])=CC=C1F	REAL300012562540	0	55	0.0	-68.61	428.22	10.59	-58.02
CC1=CC(C(NC(=O)NCC(C)[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])=CC=C1F	REAL300012562540	1	55	0.0	-67.74	427.93	10.56	-57.18
CC1=CC(C(NC(=O)NCC(C)[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])=CC(C)=C1	REAL300012562541	0	58	0.0	-70.15	444.06	11.30	-58.85
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CCC[C@@H](NC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562704	1	51	0.0	-69.07	386.31	8.62	-60.45
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CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562705	1	52	0.0	-69.94	400.99	9.95	-59.99
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562706	0	57	0.0	-71.62	441.61	9.84	-61.78
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562706	1	57	0.0	-72.82	440.51	9.83	-62.99
C=CCCC(NC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562707	0	52	0.0	-68.69	399.64	9.14	-59.55
C=CCCC(NC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562707	1	52	0.0	-69.51	399.36	9.12	-60.39
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562708	0	51	0.0	-74.22	410.27	7.83	-66.39
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562708	1	51	0.0	-67.73	410.25	7.80	-59.93
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562709	0	52	0.0	-90.13	394.68	7.21	-82.92
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562709	1	52	0.0	-87.46	394.23	7.24	-80.22
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562710	0	53	0.0	-72.46	392.27	8.91	-63.55
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562710	1	53	0.0	-71.26	393.80	9.41	-61.85
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562711	0	52	0.0	-77.32	382.57	10.58	-66.74
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562711	1	52	0.0	-78.45	381.38	10.20	-68.25
CC(C)[C@H](NC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562712	0	51	0.0	-67.82	376.46	8.13	-59.69
CC(C)[C@H](NC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562712	1	51	0.0	-71.28	382.09	8.38	-62.90
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562713	0	52	0.0	-70.05	401.48	9.89	-60.16
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562713	1	52	0.0	-71.25	401.18	9.87	-61.38
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562714	0	55	0.0	-73.61	410.86	9.24	-64.37
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562714	1	55	0.0	-69.98	414.96	9.21	-60.77
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562715	0	48	0.0	-65.74	357.73	9.20	-56.54
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562715	1	48	0.0	-68.53	355.39	8.76	-59.77
CCC[C@H](NC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562716	0	51	0.0	-68.18	385.99	8.60	-59.58
CCC[C@H](NC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562716	1	51	0.0	-70.90	386.55	8.57	-62.33
CCN(C(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012562717	0	51	0.0	-66.86	374.29	9.65	-57.21
CCN(C(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012562717	1	51	0.0	-66.52	372.25	9.54	-56.98
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562718	0	55	0.0	-51.86	399.31	11.18	-40.68
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562718	1	55	0.0	-52.54	399.33	11.19	-41.35
CC(CN(C)C(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562719	0	51	0.0	-77.06	378.98	9.90	-67.16
CC(CN(C)C(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562719	1	51	0.0	-75.01	375.65	9.17	-65.84
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562720	0	54	0.0	-69.87	396.54	8.77	-61.10
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562720	1	54	0.0	-71.68	396.29	8.76	-62.92
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562721	0	51	0.0	-66.22	377.66	10.17	-56.05
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562721	1	51	0.0	-69.56	375.72	9.69	-59.87
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562722	0	53	0.0	-75.00	398.45	5.81	-69.19
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562722	1	53	0.0	-80.33	396.53	5.69	-74.64
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562723	0	61	0.0	-70.82	448.47	9.08	-61.74
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562723	1	61	0.0	-73.10	449.45	9.44	-63.66
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562724	0	55	0.0	-74.89	402.75	9.88	-65.01
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562724	1	55	0.0	-72.90	400.29	9.53	-63.37
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562725	0	58	0.0	-71.89	410.89	10.29	-61.60
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562725	1	58	0.0	-76.25	409.35	10.11	-66.14
COCCC(NC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562726	0	52	0.0	-69.44	399.00	6.88	-62.56
COCCC(NC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562726	1	52	0.0	-69.95	398.73	6.85	-63.10
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562727	0	58	0.0	-69.42	435.66	13.11	-56.31
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562727	1	58	0.0	-69.42	434.43	12.79	-56.63
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562728	0	55	0.0	-76.16	402.85	10.21	-65.95
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562728	1	55	0.0	-74.59	402.59	10.22	-64.37
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562729	0	52	0.0	-74.52	388.96	9.11	-65.41
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562729	1	52	0.0	-72.01	390.32	9.50	-62.51
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562730	0	61	0.0	-72.84	448.63	9.08	-63.76
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562730	1	61	0.0	-71.02	448.79	9.07	-61.95
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562731	0	50	0.0	-83.52	376.14	6.55	-76.97
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562731	1	50	0.0	-81.56	374.51	6.20	-75.36
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562732	0	53	0.0	-69.68	399.14	6.90	-62.78
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562732	1	53	0.0	-69.42	398.62	7.03	-62.39
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562733	0	53	0.0	-79.50	385.79	10.86	-68.64
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562733	1	53	0.0	-81.63	385.76	10.84	-70.79
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562734	0	51	0.0	-78.32	379.92	8.44	-69.88
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562734	1	51	0.0	-77.52	377.97	8.62	-68.90
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562735	0	55	0.0	-80.30	395.63	11.19	-69.11
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562735	1	55	0.0	-78.86	391.40	11.68	-67.18
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562736	0	58	0.0	-71.99	440.48	11.25	-60.74
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562736	1	58	0.0	-68.78	438.48	11.10	-57.68
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562737	0	59	0.0	-71.26	437.95	10.94	-60.32
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562737	1	59	0.0	-69.35	437.46	11.00	-58.35
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562738	0	52	0.0	-71.95	385.55	8.71	-63.24
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562738	1	52	0.0	-69.45	384.72	8.76	-60.69
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562739	0	58	0.0	-73.10	419.08	10.03	-63.07
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562739	1	58	0.0	-71.52	418.78	10.00	-61.52
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562740	0	52	0.0	-71.95	385.55	8.71	-63.24
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562740	1	52	0.0	-69.45	384.72	8.76	-60.69
CC(CNC(=O)N1CCC(C)C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562741	0	52	0.0	-74.88	378.94	10.18	-64.70
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CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562796	1	52	0.0	-71.72	414.29	9.73	-61.99
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562797	0	52	0.0	-70.85	393.35	10.42	-60.43
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562797	1	52	0.0	-77.06	393.64	10.41	-66.65
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562798	0	52	0.0	-69.24	414.58	9.77	-59.47
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562798	1	52	0.0	-71.72	414.29	9.73	-61.99
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562799	0	56	0.0	-79.82	402.98	11.07	-68.75
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562799	1	56	0.0	-81.07	402.96	10.99	-70.08
COCCCC(NC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562800	0	55	0.0	-69.51	420.22	7.71	-61.80
COCCCC(NC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562800	1	55	0.0	-70.00	420.23	7.64	-62.36
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562801	0	54	0.0	-66.39	398.58	11.06	-55.33
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562801	1	54	0.0	-69.62	397.22	10.47	-59.15
CCOCC(NC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562802	0	52	0.0	-72.42	399.01	7.02	-65.40
CCOCC(NC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300012562802	1	52	0.0	-70.99	398.76	7.02	-63.97
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562803	0	57	0.0	-68.75	414.71	10.21	-58.54
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562803	1	57	0.0	-70.97	414.48	10.22	-60.75
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562804	0	56	0.0	-73.50	414.08	7.90	-65.60
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562804	1	56	0.0	-71.11	415.44	8.30	-62.81
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562805	0	56	0.0	-75.30	420.81	11.14	-64.16
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562805	1	56	0.0	-71.58	422.17	11.55	-60.03
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562806	0	53	0.0	-78.35	386.90	9.36	-68.99
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562806	1	53	0.0	-78.71	386.62	9.26	-69.45
CC(CNC(=O)NC(CCC#N)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562807	0	49	0.0	-71.24	386.18	8.32	-62.92
CC(CNC(=O)NC(CCC#N)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562807	1	49	0.0	-71.35	385.67	8.36	-62.99
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562808	0	52	0.0	-54.59	401.46	10.58	-44.01
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[N@H+]1CCC2=CC=CC=C2C1	REAL300012562808	1	52	0.0	-53.98	403.64	10.76	-43.22
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300012562809	0	48	0.0	-67.66	357.72	9.20	-58.46
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300012562809	1	48	0.0	-67.81	356.32	8.76	-59.05
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300012562810	0	56	0.0	-72.14	418.49	9.75	-62.39
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300012562810	1	56	0.0	-75.50	418.33	9.65	-65.85
CC(C)C[C@H](NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562811	1	51	0.0	-68.75	395.09	8.60	-60.15
CC(C)C[C@H](NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562811	1	51	0.0	-72.26	394.78	8.19	-64.07
C=CCOCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562812	1	50	0.0	-73.58	402.86	6.66	-66.92
C=CCOCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562812	1	50	0.0	-71.08	403.65	7.10	-63.98
C=CC(C)C(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562813	1	49	0.0	-71.55	387.78	8.01	-63.54
C=CC(C)C(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562813	1	49	0.0	-72.72	380.97	7.78	-64.94
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562814	1	53	0.0	-73.56	406.25	6.91	-66.65
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562814	1	53	0.0	-72.45	405.68	6.96	-65.49
COC1CCN(C(=O)NCC(C)[N@@H+]2CCC3=C(C=CS3)C2)C(C(=O)[O-])C1	REAL300012562815	1	53	0.0	-81.51	396.76	9.27	-72.24
COC1CCN(C(=O)NCC(C)[N@H+]2CCC3=C(C=CS3)C2)C(C(=O)[O-])C1	REAL300012562815	1	53	0.0	-80.50	397.91	8.86	-71.64
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562816	1	53	0.0	-70.10	404.00	7.01	-63.09
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562816	1	53	0.0	-71.93	407.11	7.35	-64.58
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562817	1	52	0.0	-81.56	379.76	10.20	-71.36
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562817	1	52	0.0	-80.50	386.97	10.65	-69.85
CCCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562818	1	48	0.0	-52.34	376.63	9.81	-42.53
CCCN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562818	1	48	0.0	-52.57	371.39	9.61	-42.96
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562819	1	52	0.0	-45.47	381.74	10.94	-34.53
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562819	1	52	0.0	-56.27	388.82	10.11	-46.16
CCCN(C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(COC)C(=O)[O-]	REAL300012562820	1	55	0.0	-69.44	413.35	9.22	-60.22
CCCN(C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(COC)C(=O)[O-]	REAL300012562820	1	55	0.0	-69.62	414.29	9.42	-60.20
CCCN(C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(CC)C(=O)[O-]	REAL300012562821	1	54	0.0	-68.04	404.22	10.79	-57.25
CCCN(C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(CC)C(=O)[O-]	REAL300012562821	1	54	0.0	-68.58	402.20	10.66	-57.92
CC(C)C(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562822	1	48	0.0	-71.30	367.68	7.27	-64.03
CC(C)C(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562822	1	48	0.0	-70.82	368.29	7.57	-63.25
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562823	1	49	0.0	-82.27	366.37	10.04	-72.23
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562823	1	49	0.0	-78.86	365.67	9.83	-69.03
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562824	1	47	0.0	-79.31	366.02	10.03	-69.28
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562824	1	47	0.0	-81.05	366.18	9.96	-71.09
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562825	1	52	0.0	-75.73	385.48	9.07	-66.66
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562825	1	52	0.0	-73.32	385.20	9.14	-64.18
CC(CNC(=O)N1CCCC1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562826	1	46	0.0	-74.76	355.98	9.15	-65.61
CC(CNC(=O)N1CCCC1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562826	1	46	0.0	-77.29	354.79	8.84	-68.45
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562827	1	49	0.0	-75.50	370.98	7.96	-67.54
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562827	1	49	0.0	-73.17	370.69	8.03	-65.14
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562828	1	55	0.0	-76.62	391.16	9.73	-66.89
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562828	1	55	0.0	-73.26	391.21	9.82	-63.44
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562829	1	52	0.0	-73.75	414.67	9.87	-63.88
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562829	1	52	0.0	-73.11	414.29	9.94	-63.17
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562830	1	52	0.0	-54.13	413.17	11.68	-42.45
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562830	1	52	0.0	-50.23	407.05	11.39	-38.84
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562831	1	49	0.0	-71.59	392.19	8.97	-62.62
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562831	1	49	0.0	-70.75	393.35	9.33	-61.42
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562832	1	49	0.0	-72.05	393.36	9.33	-62.72
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562832	1	49	0.0	-71.60	391.81	8.99	-62.61
CCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562833	1	45	0.0	-71.36	356.00	6.93	-64.43
CCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562833	1	45	0.0	-72.03	357.17	7.27	-64.76
CC(C)C(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562834	1	48	0.0	-71.30	367.68	7.27	-64.03
CC(C)C(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562834	1	48	0.0	-70.82	368.29	7.57	-63.25
CC(CNC(=O)N(C)CC(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562835	1	42	0.0	-70.83	332.13	7.73	-63.10
CC(CNC(=O)N(C)CC(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562835	1	42	0.0	-69.20	332.18	7.76	-61.44
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562836	1	52	0.0	-73.75	414.67	9.87	-63.88
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562836	1	52	0.0	-73.11	414.29	9.94	-63.17
CC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562837	1	42	0.0	-62.49	335.69	6.19	-56.30
CC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562837	1	42	0.0	-62.41	334.16	5.87	-56.54
CCC(C)C(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562838	1	51	0.0	-73.29	391.23	8.08	-65.21
CCC(C)C(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562838	1	51	0.0	-73.30	391.14	8.07	-65.23
CC(CNC(=O)N(C)CC(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562839	1	42	0.0	-70.83	332.13	7.73	-63.10
CC(CNC(=O)N(C)CC(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562839	1	42	0.0	-69.20	332.18	7.76	-61.44
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562840	1	49	0.0	-82.27	366.37	10.04	-72.23
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562840	1	49	0.0	-78.86	365.67	9.83	-69.03
CCCC(C)(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562841	1	51	0.0	-70.85	382.83	8.38	-62.47
CCCC(C)(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562841	1	51	0.0	-71.07	382.80	8.40	-62.67
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CC(CNC(=O)N(CC(=O)[O-])C1CC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562843	1	46	0.0	-52.66	357.34	9.11	-43.55
C=CCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562844	1	46	0.0	-54.38	366.99	9.23	-45.15
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CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562845	1	51	0.0	-52.39	391.02	10.12	-42.27
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562846	1	53	0.0	-83.94	404.39	12.19	-71.75
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562846	1	53	0.0	-79.67	403.46	11.96	-67.71
CC(CNC(=O)NC(C)(C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562847	1	45	0.0	-60.51	346.76	6.28	-54.23
CC(CNC(=O)NC(C)(C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562847	1	45	0.0	-61.38	346.91	6.24	-55.14
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562848	1	49	0.0	-72.56	370.85	8.37	-64.19
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562848	1	49	0.0	-73.34	369.80	7.98	-65.36
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562849	1	46	0.0	-67.72	384.37	8.42	-59.30
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562849	1	46	0.0	-70.42	384.95	8.42	-62.00
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562850	1	52	0.0	-75.73	385.48	9.07	-66.66
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562850	1	52	0.0	-73.32	385.20	9.14	-64.18
CC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562851	1	48	0.0	-70.50	359.84	9.81	-60.69
CC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562851	1	48	0.0	-71.95	361.19	10.13	-61.82
CCCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562852	1	48	0.0	-52.34	376.63	9.81	-42.53
CCCN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562852	1	48	0.0	-52.57	371.39	9.61	-42.96
CCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562853	1	45	0.0	-71.68	354.18	8.67	-63.01
CCN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562853	1	45	0.0	-69.48	355.11	9.06	-60.42
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562854	1	51	0.0	-68.69	385.59	7.84	-60.85
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562854	1	51	0.0	-71.92	387.68	8.27	-63.65
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562855	1	49	0.0	-75.50	370.98	7.96	-67.54
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562855	1	49	0.0	-73.17	370.69	8.03	-65.14
CCC(C)(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562856	1	48	0.0	-67.78	361.34	7.62	-60.16
CCC(C)(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562856	1	48	0.0	-70.77	361.31	7.63	-63.14
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562857	1	53	0.0	-75.42	411.47	10.25	-65.17
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562857	1	53	0.0	-72.72	410.14	10.19	-62.53
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562858	1	52	0.0	-72.78	401.12	10.14	-62.64
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562858	1	52	0.0	-73.46	399.82	9.69	-63.77
CC(CNC(=O)N[C@@H](C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562859	1	42	0.0	-61.81	335.21	6.26	-55.55
CC(CNC(=O)N[C@@H](C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562859	1	42	0.0	-62.82	335.17	6.26	-56.56
CCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562860	1	45	0.0	-71.68	354.18	8.67	-63.01
CCN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562860	1	45	0.0	-69.48	355.11	9.06	-60.42
CCCCCCC(C)(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562861	1	60	0.0	-71.09	447.33	10.71	-60.38
CCCCCCC(C)(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562861	1	60	0.0	-68.62	447.30	10.73	-57.89
CC(CNC(=O)N[C@H](C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562862	1	42	0.0	-62.21	334.18	5.89	-56.32
CC(CNC(=O)N[C@H](C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562862	1	42	0.0	-63.54	334.64	5.80	-57.74
CC(CNC(=O)NC1(C(=O)[O-])CC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562863	1	43	0.0	-77.50	340.30	7.05	-70.45
CC(CNC(=O)NC1(C(=O)[O-])CC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562863	1	43	0.0	-74.75	340.32	7.13	-67.62
CC(CNC(=O)N1CCOCC1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562864	1	47	0.0	-79.66	357.09	7.47	-72.19
CC(CNC(=O)N1CCOCC1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562864	1	47	0.0	-79.20	357.12	7.37	-71.83
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562865	1	55	0.0	-78.41	394.85	10.59	-67.82
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562865	1	55	0.0	-75.30	394.47	10.45	-64.85
CC(CNC(=O)NC(C(=O)[O-])C1CC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562866	1	46	0.0	-68.25	362.93	7.39	-60.86
CC(CNC(=O)NC(C(=O)[O-])C1CC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562866	1	46	0.0	-72.18	366.92	7.81	-64.37
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CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562870	1	46	0.0	-79.09	355.40	8.39	-70.70
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562870	1	46	0.0	-79.18	355.69	8.44	-70.74
CC(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562871	1	49	0.0	-79.24	365.61	9.87	-69.37
CC(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562871	1	49	0.0	-78.59	365.24	9.79	-68.80
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562872	1	45	0.0	-68.11	346.76	7.82	-60.29
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562872	1	45	0.0	-66.27	347.08	8.00	-58.27
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562873	1	46	0.0	-75.28	354.64	8.83	-66.45
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562873	1	46	0.0	-77.76	355.55	8.52	-69.24
CC(CNC(=O)NC1(C(=O)[O-])CCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562874	1	46	0.0	-76.81	356.96	7.57	-69.24
CC(CNC(=O)NC1(C(=O)[O-])CCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562874	1	46	0.0	-76.74	356.78	7.55	-69.19
C=CCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562875	1	46	0.0	-71.66	369.52	7.31	-64.35
C=CCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562875	1	46	0.0	-68.88	370.21	7.78	-61.10
CC(CNC(=O)N1CCCC1(C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562876	1	49	0.0	-77.69	373.03	9.71	-67.98
CC(CNC(=O)N1CCCC1(C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562876	1	49	0.0	-77.77	372.01	9.31	-68.46
CC(CNC(=O)N1CCCCCC1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562877	1	52	0.0	-77.29	380.66	10.77	-66.52
CC(CNC(=O)N1CCCCCC1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562877	1	52	0.0	-77.62	378.83	10.33	-67.29
CC(CNC(=O)NC(C(=O)[O-])C1CC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562878	1	46	0.0	-68.25	362.93	7.39	-60.86
CC(CNC(=O)NC(C(=O)[O-])C1CC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562878	1	46	0.0	-72.18	366.92	7.81	-64.37
CC(CNC(=O)N(C)C(C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562879	1	45	0.0	-69.15	347.18	8.15	-61.00
CC(CNC(=O)N(C)C(C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562879	1	45	0.0	-67.68	347.35	8.05	-59.63
CCCCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562880	1	51	0.0	-71.22	399.00	8.47	-62.75
CCCCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562880	1	51	0.0	-69.02	399.92	8.87	-60.15
CC(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562881	1	49	0.0	-78.55	372.10	9.30	-69.25
CC(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562881	1	49	0.0	-77.49	371.88	9.40	-68.09
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562882	1	52	0.0	-52.48	390.00	10.28	-42.20
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562882	1	52	0.0	-48.45	385.79	10.46	-37.99
COCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562883	1	46	0.0	-72.46	367.97	5.15	-67.31
COCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562883	1	46	0.0	-72.52	368.55	5.49	-67.03
CCCCCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562884	1	54	0.0	-71.20	420.50	9.25	-61.95
CCCCCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562884	1	54	0.0	-71.91	421.66	9.60	-62.31
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CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562886	1	53	0.0	-56.11	399.93	8.97	-47.14
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562887	1	52	0.0	-78.82	381.70	9.68	-69.14
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562887	1	52	0.0	-78.72	381.23	9.64	-69.08
CC(CNC(=O)N(C(C)C(=O)[O-])C1CC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562888	1	49	0.0	-57.42	373.66	9.54	-47.88
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CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562892	1	58	0.0	-72.20	436.35	10.13	-62.07
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562892	1	58	0.0	-72.21	437.30	10.54	-61.67
CC1=CC=C(C(NC(=O)NCC(C)[N@@H+]2CCC3=C(C=CS3)C2)C(=O)[O-])C=C1	REAL300012562893	1	52	0.0	-71.58	413.60	9.65	-61.93
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CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562894	1	45	0.0	-65.63	371.93	7.64	-57.99
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562894	1	45	0.0	-66.16	373.11	7.96	-58.20
CC(CNC(=O)NC1(C(=O)[O-])CCSCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562895	1	50	0.0	-72.30	383.13	8.71	-63.59
CC(CNC(=O)NC1(C(=O)[O-])CCSCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562895	1	50	0.0	-71.65	383.19	8.81	-62.84
COCC(C)(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562896	1	49	0.0	-75.29	379.58	6.90	-68.39
COCC(C)(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562896	1	49	0.0	-72.83	379.55	6.92	-65.91
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562897	1	52	0.0	-69.57	399.59	8.55	-61.02
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562897	1	52	0.0	-69.13	399.03	8.33	-60.80
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562898	1	51	0.0	-52.21	391.30	10.33	-41.88
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562898	1	51	0.0	-52.39	391.02	10.12	-42.27
CC(CNC(=O)N(CC(=O)[O-])C1CC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562899	1	46	0.0	-55.06	358.60	9.59	-45.47
CC(CNC(=O)N(CC(=O)[O-])C1CC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562899	1	46	0.0	-52.66	357.34	9.11	-43.55
CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562900	1	48	0.0	-52.90	394.76	10.19	-42.71
CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562900	1	48	0.0	-50.15	389.52	9.99	-40.16
CC(CNC(=O)NC1(C(=O)[O-])CCOC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562901	1	47	0.0	-68.16	362.91	5.74	-62.42
CC(CNC(=O)NC1(C(=O)[O-])CCOC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562901	1	47	0.0	-71.54	361.55	5.37	-66.17
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562902	1	55	0.0	-72.38	409.08	9.19	-63.19
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562902	1	55	0.0	-73.34	415.84	9.72	-63.62
CC(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562903	1	56	0.0	-68.65	426.35	9.99	-58.66
CC(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562903	1	56	0.0	-68.11	425.50	9.71	-58.40
CC(CNC(=O)NC1(C(=O)[O-])CCOCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562904	1	50	0.0	-75.24	376.91	6.56	-68.68
CC(CNC(=O)NC1(C(=O)[O-])CCOCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562904	1	50	0.0	-75.55	376.83	6.57	-68.98
C=CCCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562905	1	49	0.0	-68.38	391.27	8.64	-59.74
C=CCCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562905	1	49	0.0	-71.51	391.48	8.60	-62.91
CC(CNC(=O)NC(CF)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562906	1	42	0.0	-60.23	338.03	5.85	-54.38
CC(CNC(=O)NC(CF)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562906	1	42	0.0	-59.43	337.46	5.91	-53.52
CC(CNC(=O)N(C)C(C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562907	1	45	0.0	-69.15	347.18	8.15	-61.00
CC(CNC(=O)N(C)C(C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562907	1	45	0.0	-67.68	347.35	8.05	-59.63
CCC(CC)(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562908	1	51	0.0	-72.20	377.73	8.52	-63.68
CCC(CC)(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562908	1	51	0.0	-69.40	377.70	8.53	-60.87
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562909	1	51	0.0	-49.96	386.51	10.04	-39.92
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562909	1	51	0.0	-53.65	388.28	10.63	-43.02
CCC(COC)(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562910	1	52	0.0	-73.71	396.26	7.81	-65.90
CCC(COC)(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562910	1	52	0.0	-77.11	396.22	7.82	-69.29
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562911	1	55	0.0	-70.02	419.86	9.30	-60.72
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562911	1	55	0.0	-69.68	419.30	9.08	-60.60
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562912	1	49	0.0	-71.32	388.12	8.36	-62.96
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562912	1	49	0.0	-70.33	386.45	8.49	-61.84
COCCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562913	1	49	0.0	-72.65	389.92	5.93	-66.72
COCCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562913	1	49	0.0	-72.52	390.84	6.33	-66.19
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562914	1	54	0.0	-68.49	407.89	10.74	-57.75
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562914	1	54	0.0	-68.52	405.37	10.41	-58.11
CC(CNC(=O)NC(CC(F)F)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562915	1	45	0.0	-66.66	366.03	7.40	-59.26
CC(CNC(=O)NC(CC(F)F)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562915	1	45	0.0	-69.50	369.27	7.61	-61.89
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562916	1	55	0.0	-79.03	410.36	11.59	-67.44
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562916	1	55	0.0	-79.67	409.38	11.13	-68.54
CCCN(C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(C)C(=O)[O-]	REAL300012562917	1	51	0.0	-47.40	388.35	10.28	-37.12
CCCN(C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(C)C(=O)[O-]	REAL300012562917	1	51	0.0	-43.00	383.76	10.64	-32.36
CC(CNC(=O)NC(CCF)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562918	1	45	0.0	-71.03	362.00	7.01	-64.02
CC(CNC(=O)NC(CCF)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562918	1	45	0.0	-71.46	363.76	7.40	-64.06
COC1(CC(NC(=O)NCC(C)[N@@H+]2CCC3=C(C=CS3)C2)C(=O)[O-])CCC1	REAL300012562919	1	56	0.0	-69.82	425.01	8.52	-61.30
COC1(CC(NC(=O)NCC(C)[N@H+]2CCC3=C(C=CS3)C2)C(=O)[O-])CCC1	REAL300012562919	1	56	0.0	-72.30	425.21	8.36	-63.94
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562920	1	53	0.0	-54.37	398.95	8.57	-45.80
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562920	1	53	0.0	-56.11	399.93	8.97	-47.14
CC(CNC(=O)N(CC(=O)[O-])C1CCCCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562921	1	55	0.0	-52.71	406.67	10.98	-41.73
CC(CNC(=O)N(CC(=O)[O-])C1CCCCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562921	1	55	0.0	-52.18	408.81	11.34	-40.84
CC(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562922	1	55	0.0	-75.41	399.19	9.50	-65.91
CC(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562922	1	55	0.0	-76.00	399.21	9.43	-66.57
CC(CNC(=O)NC(C)(CCF)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562923	1	48	0.0	-68.14	367.93	7.77	-60.37
CC(CNC(=O)NC(C)(CCF)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562923	1	48	0.0	-65.62	367.90	7.78	-57.84
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562924	1	50	0.0	-57.77	389.17	9.44	-48.33
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562924	1	50	0.0	-56.87	389.05	9.51	-47.36
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562925	1	46	0.0	-71.95	368.54	8.66	-63.29
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562925	1	46	0.0	-69.88	369.68	9.00	-60.88
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562926	1	45	0.0	-66.35	348.23	8.30	-58.05
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562926	1	45	0.0	-68.21	345.98	7.94	-60.27
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562927	1	58	0.0	-74.42	414.72	10.33	-64.09
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562927	1	58	0.0	-76.73	413.22	9.96	-66.77
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562928	1	47	0.0	-79.95	361.03	9.77	-70.18
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562928	1	47	0.0	-82.63	363.90	9.78	-72.85
COC1CN(C(=O)NCC(C)[N@@H+]2CCC3=C(C=CS3)C2)C(C)(C(=O)[O-])C1	REAL300012562929	1	53	0.0	-78.41	406.42	8.68	-69.73
COC1CN(C(=O)NCC(C)[N@H+]2CCC3=C(C=CS3)C2)C(C)(C(=O)[O-])C1	REAL300012562929	1	53	0.0	-79.28	405.24	8.29	-70.99
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562930	1	56	0.0	-70.56	423.21	8.44	-62.12
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562930	1	56	0.0	-70.56	423.09	8.44	-62.12
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562931	1	51	0.0	-68.97	385.19	8.03	-60.94
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562931	1	51	0.0	-73.26	387.96	8.37	-64.89
C=C(Cl)CC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562932	1	46	0.0	-67.42	384.71	7.98	-59.44
C=C(Cl)CC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562932	1	46	0.0	-65.54	385.68	8.38	-57.16
C=C(C)CC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562933	1	49	0.0	-72.77	389.38	8.17	-64.60
C=C(C)CC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562933	1	49	0.0	-70.53	387.91	8.74	-61.79
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562934	1	50	0.0	-87.38	377.04	10.23	-77.15
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562934	1	50	0.0	-84.48	378.12	10.59	-73.89
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562935	1	46	0.0	-72.82	367.91	8.93	-63.89
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562935	1	46	0.0	-72.51	367.66	8.90	-63.61
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562936	1	46	0.0	-76.78	361.38	8.85	-67.93
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562936	1	46	0.0	-76.07	362.44	9.26	-66.81
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300012562937	1	47	0.0	-75.63	368.88	8.90	-66.73
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300012562937	1	47	0.0	-77.80	370.18	9.24	-68.56
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562938	1	56	0.0	-69.17	424.22	8.79	-60.38
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562938	1	56	0.0	-73.76	427.61	7.68	-66.08
CC(C)C[C@H](NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562939	1	51	0.0	-68.75	395.09	8.60	-60.15
CC(C)C[C@H](NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562939	1	51	0.0	-72.26	394.78	8.19	-64.07
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562940	1	53	0.0	-73.56	406.25	6.91	-66.65
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562940	1	53	0.0	-72.45	405.68	6.96	-65.49
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562941	1	49	0.0	-72.05	393.36	9.33	-62.72
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562941	1	49	0.0	-71.60	391.81	8.99	-62.61
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562942	1	49	0.0	-71.32	388.12	8.36	-62.96
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562942	1	49	0.0	-70.33	386.45	8.49	-61.84
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562943	1	48	0.0	-68.06	400.99	7.07	-60.99
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562943	1	48	0.0	-70.02	402.10	7.47	-62.55
CC(C)CCCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562944	1	57	0.0	-71.16	438.06	9.76	-61.40
CC(C)CCCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562944	1	57	0.0	-69.68	439.23	10.11	-59.57
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562945	1	53	0.0	-75.09	413.15	7.70	-67.39
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562945	1	53	0.0	-70.32	410.75	7.73	-62.59
CSCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562946	1	46	0.0	-68.47	379.70	7.28	-61.19
CSCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562946	1	46	0.0	-68.59	380.65	7.68	-60.91
COC[C@H](NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562947	1	46	0.0	-70.56	369.06	5.48	-65.08
COC[C@H](NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562947	1	46	0.0	-72.56	368.54	5.49	-67.07
CC[C@H](NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562948	1	45	0.0	-69.68	356.01	6.90	-62.78
CC[C@H](NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562948	1	45	0.0	-71.04	355.33	6.87	-64.17
CCC(C)CC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562949	1	54	0.0	-71.53	412.93	8.88	-62.65
CCC(C)CC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562949	1	54	0.0	-71.30	412.01	8.88	-62.42
C=CCCCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562950	1	52	0.0	-71.66	412.05	8.98	-62.68
C=CCCCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562950	1	52	0.0	-69.83	412.98	9.38	-60.45
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562951	1	47	0.0	-79.31	366.02	10.03	-69.28
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562951	1	47	0.0	-81.05	366.18	9.96	-71.09
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562952	1	52	0.0	-72.78	401.12	10.14	-62.64
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562952	1	52	0.0	-73.46	399.82	9.69	-63.77
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562953	1	46	0.0	-79.09	355.40	8.39	-70.70
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562953	1	46	0.0	-79.18	355.69	8.44	-70.74
CCCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562954	1	48	0.0	-72.29	377.74	7.63	-64.66
CCCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562954	1	48	0.0	-69.80	378.66	8.03	-61.77
CC(C)[C@@H](NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562955	1	48	0.0	-70.46	371.13	7.51	-62.95
CC(C)[C@@H](NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562955	1	48	0.0	-68.98	368.61	7.67	-61.31
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562956	1	50	0.0	-82.60	376.36	10.43	-72.17
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562956	1	50	0.0	-83.51	376.30	10.38	-73.13
CCN(C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(C)(C)C(=O)[O-]	REAL300012562957	1	51	0.0	-74.23	381.82	9.99	-64.24
CCN(C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(C)(C)C(=O)[O-]	REAL300012562957	1	51	0.0	-74.62	382.01	10.04	-64.58
CCCN(C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(C)C(=O)[O-]	REAL300012562958	1	51	0.0	-47.40	388.35	10.28	-37.12
CCCN(C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(C)C(=O)[O-]	REAL300012562958	1	51	0.0	-43.00	383.76	10.64	-32.36
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562959	1	45	0.0	-69.74	359.91	9.28	-60.46
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562959	1	45	0.0	-65.41	369.72	9.57	-55.84
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562960	1	45	0.0	-69.74	359.91	9.28	-60.46
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562960	1	45	0.0	-65.41	369.72	9.57	-55.84
CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562961	1	48	0.0	-74.80	362.41	9.16	-65.64
CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562961	1	48	0.0	-72.72	360.82	8.78	-63.94
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562962	1	46	0.0	-75.28	354.64	8.83	-66.45
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562962	1	46	0.0	-77.76	355.55	8.52	-69.24
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562963	1	47	0.0	-80.41	366.64	5.13	-75.28
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562963	1	47	0.0	-79.02	368.16	5.03	-73.99
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562964	1	53	0.0	-78.90	407.65	12.75	-66.15
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562964	1	53	0.0	-74.82	407.84	11.95	-62.87
CCC[C@@H](NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562965	1	48	0.0	-71.32	378.46	8.07	-63.25
CCC[C@@H](NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562965	1	48	0.0	-69.80	378.67	8.02	-61.78
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562966	1	49	0.0	-71.59	392.19	8.97	-62.62
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562966	1	49	0.0	-70.75	393.35	9.33	-61.42
C=CCCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562967	1	49	0.0	-68.38	391.27	8.64	-59.74
C=CCCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562967	1	49	0.0	-71.51	391.48	8.60	-62.91
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562968	1	48	0.0	-66.39	401.21	6.91	-59.48
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562968	1	48	0.0	-68.67	401.36	6.87	-61.80
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562969	1	50	0.0	-72.70	382.93	8.02	-64.68
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562969	1	50	0.0	-73.46	383.01	8.07	-65.39
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562970	1	49	0.0	-77.68	373.07	9.71	-67.97
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562970	1	49	0.0	-74.91	371.83	9.37	-65.54
CC(C)[C@H](NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562971	1	48	0.0	-69.76	374.24	7.83	-61.93
CC(C)[C@H](NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562971	1	48	0.0	-70.86	371.28	7.47	-63.39
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562972	1	49	0.0	-69.81	393.11	9.40	-60.41
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562972	1	49	0.0	-72.89	392.29	8.93	-63.96
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562973	1	52	0.0	-74.75	401.79	8.29	-66.46
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562973	1	52	0.0	-70.23	405.58	8.33	-61.90
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562974	1	45	0.0	-66.35	348.23	8.30	-58.05
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562974	1	45	0.0	-68.21	345.98	7.94	-60.27
CCC[C@H](NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562975	1	48	0.0	-69.42	378.70	8.02	-61.40
CCC[C@H](NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562975	1	48	0.0	-71.02	376.82	7.64	-63.38
CCN(C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(C)C(=O)[O-]	REAL300012562976	1	48	0.0	-68.81	364.91	9.08	-59.73
CCN(C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(C)C(=O)[O-]	REAL300012562976	1	48	0.0	-67.11	364.37	8.99	-58.12
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562977	1	52	0.0	-52.48	390.00	10.28	-42.20
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562977	1	52	0.0	-48.45	385.79	10.46	-37.99
CC(CN(C)C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562978	1	48	0.0	-76.95	368.68	8.97	-67.98
CC(CN(C)C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562978	1	48	0.0	-74.41	366.99	8.41	-66.00
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562979	1	51	0.0	-68.69	385.59	7.84	-60.85
CC[C@H](C)[C@H](NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562979	1	51	0.0	-71.92	387.68	8.27	-63.65
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562980	1	48	0.0	-70.25	366.58	8.85	-61.40
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562980	1	48	0.0	-68.30	367.00	8.96	-59.34
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562981	1	50	0.0	-80.51	387.39	4.81	-75.70
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562981	1	50	0.0	-80.55	387.55	4.83	-75.72
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562982	1	58	0.0	-70.61	439.15	8.18	-62.43
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562982	1	58	0.0	-72.31	436.58	8.49	-63.82
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562983	1	52	0.0	-75.65	392.21	8.55	-67.10
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562983	1	52	0.0	-72.54	392.07	8.68	-63.86
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562984	1	55	0.0	-75.25	401.75	9.35	-65.90
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562984	1	55	0.0	-72.87	400.98	9.61	-63.26
COCCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562985	1	49	0.0	-72.65	389.92	5.93	-66.72
COCCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012562985	1	49	0.0	-72.52	390.84	6.33	-66.19
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562986	1	52	0.0	-76.45	393.58	9.32	-67.13
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562986	1	52	0.0	-74.25	393.57	9.35	-64.90
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562987	1	49	0.0	-72.97	377.46	8.25	-64.72
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562987	1	49	0.0	-70.97	378.63	8.60	-62.37
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562988	1	58	0.0	-73.40	441.02	8.53	-64.87
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562988	1	58	0.0	-70.82	440.53	8.61	-62.21
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012562989	1	47	0.0	-83.55	365.37	5.33	-78.22
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012562989	1	47	0.0	-82.01	365.13	5.31	-76.70
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CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012562990	1	50	0.0	-72.22	383.87	6.30	-65.92
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CC(CNC(=O)NC(C(=O)[O-])C1CCCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012563038	1	52	0.0	-69.86	393.33	8.85	-61.01
CO[C@H](C)[C@H](NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012563039	1	49	0.0	-69.51	385.52	6.14	-63.37
CO[C@H](C)[C@H](NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012563039	1	49	0.0	-72.60	387.03	6.57	-66.03
CC(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563040	1	49	0.0	-74.74	370.41	8.16	-66.58
CC(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012563040	1	49	0.0	-78.87	378.85	8.57	-70.30
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563041	1	52	0.0	-54.13	413.17	11.68	-42.45
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012563041	1	52	0.0	-50.23	407.05	11.39	-38.84
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563042	1	52	0.0	-44.80	396.10	9.44	-35.36
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012563042	1	52	0.0	-51.82	398.04	9.78	-42.04
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563043	1	49	0.0	-81.63	377.60	10.17	-71.46
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012563043	1	49	0.0	-80.05	376.81	9.84	-70.21
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563044	1	46	0.0	-84.25	368.61	8.49	-75.76
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012563044	1	46	0.0	-78.83	365.97	8.84	-69.99
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563045	1	49	0.0	-72.16	405.31	8.84	-63.32
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012563045	1	49	0.0	-72.41	405.35	8.82	-63.59
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563046	1	49	0.0	-76.75	384.37	9.60	-67.15
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012563046	1	49	0.0	-69.11	383.95	9.53	-59.58
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563047	1	49	0.0	-72.16	405.31	8.84	-63.32
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012563047	1	49	0.0	-72.41	405.35	8.82	-63.59
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563048	1	53	0.0	-80.28	392.31	9.92	-70.36
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012563048	1	53	0.0	-81.24	393.58	10.10	-71.14
COCCCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012563049	1	52	0.0	-71.22	411.41	6.70	-64.52
COCCCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012563049	1	52	0.0	-68.47	412.10	7.16	-61.31
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563050	1	51	0.0	-67.08	389.09	10.16	-56.92
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1	REAL300012563050	1	51	0.0	-68.44	389.00	9.83	-58.61
CCOCC(NC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012563051	1	49	0.0	-72.81	389.82	6.13	-66.68
CCOCC(NC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300012563051	1	49	0.0	-71.18	390.88	6.48	-64.70
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563052	1	54	0.0	-72.88	406.96	9.28	-63.60
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012563052	1	54	0.0	-72.02	406.01	9.31	-62.71
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563053	1	53	0.0	-71.67	407.17	7.52	-64.15
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012563053	1	53	0.0	-72.86	406.14	7.07	-65.79
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563054	1	53	0.0	-75.42	411.47	10.25	-65.17
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012563054	1	53	0.0	-72.72	410.14	10.19	-62.53
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563055	1	50	0.0	-78.80	376.84	8.35	-70.45
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012563055	1	50	0.0	-79.06	377.23	8.38	-70.68
CC(CNC(=O)NC(CCC#N)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563056	1	46	0.0	-74.11	376.27	7.37	-66.74
CC(CNC(=O)NC(CCC#N)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012563056	1	46	0.0	-74.31	377.79	7.83	-66.48
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563057	1	49	0.0	-53.85	391.47	10.34	-43.51
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[N@H+]1CCC2=C(C=CS2)C1	REAL300012563057	1	49	0.0	-54.38	394.27	9.88	-44.50
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300012563058	1	45	0.0	-68.11	346.76	7.82	-60.29
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300012563058	1	45	0.0	-66.27	347.08	8.00	-58.27
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300012563059	1	53	0.0	-72.55	409.12	8.85	-63.70
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300012563059	1	53	0.0	-76.66	411.08	8.29	-68.37
CCCC[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012563060	0	53	0.0	-74.30	396.86	7.87	-66.43
C=CCOCC(NC(=O)NC1CC[NH+](CCCC)CC1)C(=O)[O-]	REAL300012563061	0	52	0.0	-75.46	404.79	6.35	-69.11
C=CC(C)C(NC(=O)NC1CC[NH+](CCCC)CC1)C(=O)[O-]	REAL300012563062	0	51	0.0	-74.23	383.74	7.43	-66.80
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012563063	0	55	0.0	-73.15	405.29	6.57	-66.58
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012563064	0	51	0.0	-67.94	407.50	8.77	-59.17
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012563065	0	51	0.0	-67.82	417.39	9.22	-58.60
CCCC[NH+]1CCC(NC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300012563066	0	55	0.0	-81.37	400.48	8.44	-72.93
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012563067	0	55	0.0	-72.14	402.51	6.48	-65.66
CCCC[NH+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012563068	0	54	0.0	-80.84	388.85	10.06	-70.78
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300012563069	0	54	0.0	-71.95	421.04	9.33	-62.62
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012563070	0	56	0.0	-74.15	430.23	8.48	-65.67
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012563071	0	57	0.0	-75.39	437.16	9.96	-65.43
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300012563072	0	57	0.0	-74.33	433.22	9.85	-64.48
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)CC1	REAL300012563073	0	55	0.0	-70.66	440.08	8.60	-62.06
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300012563074	0	57	0.0	-75.33	424.30	9.66	-65.67
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300012563075	0	55	0.0	-71.47	430.52	8.03	-63.44
CCCC[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012563076	0	54	0.0	-62.48	390.43	9.46	-53.02
CCCC[NH+]1CCC(NC(=O)N(CCC)C(COC)C(=O)[O-])CC1	REAL300012563077	0	57	0.0	-75.74	420.46	10.04	-65.70
CCCC[NH+]1CCC(NC(=O)N(CCC)C(CC)C(=O)[O-])CC1	REAL300012563078	0	56	0.0	-65.66	403.78	10.10	-55.56
CCCC[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012563079	0	51	0.0	-82.20	368.55	9.70	-72.50
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012563080	0	51	0.0	-69.33	410.43	9.19	-60.14
CCCC[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012563081	0	49	0.0	-79.38	368.15	9.58	-69.80
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012563082	0	54	0.0	-75.88	387.68	8.77	-67.11
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012563083	0	51	0.0	-77.40	372.63	7.64	-69.76
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012563084	0	57	0.0	-76.42	393.31	9.42	-67.00
CCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012563085	0	54	0.0	-74.99	416.81	9.66	-65.33
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012563086	0	54	0.0	-61.42	415.54	11.41	-50.01
CCCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012563087	0	51	0.0	-74.23	394.11	8.71	-65.52
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012563088	0	51	0.0	-73.01	394.55	8.74	-64.27
CCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012563089	0	54	0.0	-74.99	416.81	9.66	-65.33
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)CC)CC1	REAL300012563090	0	53	0.0	-74.87	389.42	7.52	-67.35
CCCC[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012563091	0	51	0.0	-82.20	368.55	9.70	-72.50
CCCC[NH+]1CCC(NC(=O)NC(C)(CCC)C(=O)[O-])CC1	REAL300012563092	0	53	0.0	-72.18	383.81	7.68	-64.50
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012563093	0	53	0.0	-61.30	392.26	9.65	-51.65
CCCC[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012563094	0	55	0.0	-82.57	406.49	11.73	-70.84
CCCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012563095	0	51	0.0	-74.00	371.73	7.69	-66.31
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012563096	0	48	0.0	-72.41	385.71	7.79	-64.62
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012563097	0	54	0.0	-75.88	387.68	8.77	-67.11
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012563098	0	54	0.0	-57.07	431.83	11.90	-45.17
CCCC[NH+]1CCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012563099	0	58	0.0	-76.58	445.63	9.64	-66.94
CCCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	REAL300012563100	0	53	0.0	-74.83	389.40	7.52	-67.31
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012563101	0	51	0.0	-77.40	372.63	7.64	-69.76
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012563102	0	54	0.0	-57.24	421.51	11.45	-45.79
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012563103	0	55	0.0	-76.12	413.65	9.93	-66.19
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012563104	0	51	0.0	-73.50	405.63	8.82	-64.68
CCCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012563105	0	54	0.0	-74.43	402.57	9.44	-64.99
CCCCCCC(C)(NC(=O)NC1CC[NH+](CCCC)CC1)C(=O)[O-]	REAL300012563106	0	62	0.0	-72.27	448.31	10.02	-62.25
CCCC[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012563107	0	57	0.0	-72.34	425.18	11.50	-60.84
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012563108	0	51	0.0	-69.33	410.43	9.19	-60.14
CCCC[NH+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012563109	0	49	0.0	-78.39	359.13	7.02	-71.37
CCCC[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012563110	0	57	0.0	-78.73	396.94	10.08	-68.65
CCCC[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012563111	0	57	0.0	-61.03	437.96	12.18	-48.85
CCCC[NH+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012563112	0	54	0.0	-76.20	402.90	10.61	-65.59
CCCC[NH+]1CCC(NC(=O)N(CCOC)CC(=O)[O-])CC1	REAL300012563113	0	51	0.0	-62.21	387.48	7.56	-54.65
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012563114	0	55	0.0	-77.31	409.46	9.71	-67.60
CCCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012563115	0	51	0.0	-80.54	368.47	9.49	-71.05
CCCC[NH+]1CCC(NC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012563116	0	51	0.0	-79.31	374.07	9.01	-70.30
CCCC[NH+]1CCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012563117	0	58	0.0	-80.65	450.24	9.58	-71.07
CCCC[NH+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012563118	0	54	0.0	-78.87	382.32	10.40	-68.47
CCCCC(NC(=O)NC1CC[NH+](CCCC)CC1)C(=O)[O-]	REAL300012563119	0	53	0.0	-73.19	400.34	8.13	-65.06
CCCC[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012563120	0	57	0.0	-61.03	437.96	12.18	-48.85
CCCC[NH+]1CCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012563121	0	51	0.0	-79.31	374.00	9.00	-70.31
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012563122	0	54	0.0	-57.94	386.36	9.73	-48.21
CCCC[NH+]1CCC(NC(=O)NC(COC)C(=O)[O-])CC1	REAL300012563123	0	48	0.0	-75.03	369.55	4.79	-70.24
CCCCCC(NC(=O)NC1CC[NH+](CCCC)CC1)C(=O)[O-]	REAL300012563124	0	56	0.0	-72.54	422.43	8.95	-63.59
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(CC)CC2)CC1	REAL300012563125	0	60	0.0	-76.37	426.76	10.02	-66.35
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012563126	0	55	0.0	-60.88	400.87	8.27	-52.61
CCCC[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012563127	0	54	0.0	-78.77	385.49	9.65	-69.12
CCCC[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012563128	0	51	0.0	-62.83	375.38	9.12	-53.71
CCCC[NH+]1CCC(NC(=O)N(C(CC)C(=O)[O-])C2CC2)CC1	REAL300012563129	0	54	0.0	-64.49	394.91	10.03	-54.46
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012563130	0	51	0.0	-76.02	404.42	9.05	-66.97
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012563131	0	51	0.0	-80.68	398.74	8.72	-71.96
CCCC[NH+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012563132	0	55	0.0	-62.92	409.17	11.07	-51.85
CCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012563133	0	54	0.0	-75.69	430.47	9.85	-65.84
CCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012563134	0	60	0.0	-78.15	460.12	11.69	-66.46
CCCC[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012563135	0	60	0.0	-73.78	438.30	9.83	-63.95
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012563136	0	57	0.0	-60.04	427.72	12.02	-48.02
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300012563137	0	54	0.0	-74.68	415.72	9.31	-65.37
CCCC[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012563138	0	47	0.0	-67.23	373.86	7.33	-59.90
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012563139	0	57	0.0	-76.64	440.30	10.90	-65.74
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012563140	0	52	0.0	-73.13	385.35	8.44	-64.69
CCCC[NH+]1CCC(NC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300012563141	0	51	0.0	-76.40	380.56	6.21	-70.19
CCCC[NH+]1CCC(NC(=O)N(C)C(COCC)C(=O)[O-])CC1	REAL300012563142	0	54	0.0	-71.38	400.21	7.97	-63.41
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012563143	0	53	0.0	-61.30	392.26	9.65	-51.65
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(CC)C2=CC=CC=C2)CC1	REAL300012563144	0	60	0.0	-59.35	443.61	12.74	-46.61
CCCC[NH+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012563145	0	50	0.0	-61.27	395.74	9.52	-51.75
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012563146	0	49	0.0	-72.78	363.80	5.07	-67.71
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012563147	0	57	0.0	-73.05	411.69	8.87	-64.18
CCCC[NH+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012563148	0	58	0.0	-73.06	427.09	9.45	-63.61
CCCC[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012563149	0	58	0.0	-81.04	432.19	12.73	-68.31
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012563150	0	52	0.0	-76.33	379.11	6.28	-70.05
C=CCCC(NC(=O)NC1CC[NH+](CCCC)CC1)C(=O)[O-]	REAL300012563151	0	51	0.0	-72.90	392.49	7.89	-65.01
CCCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012563152	0	57	0.0	-52.19	424.36	12.44	-39.75
CCCC[NH+]1CCC(NC(=O)NC(CC)(CC)C(=O)[O-])CC1	REAL300012563153	0	53	0.0	-74.15	378.99	7.82	-66.33
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)CC1	REAL300012563154	0	55	0.0	-72.65	423.19	7.96	-64.69
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)CC)CC1	REAL300012563155	0	53	0.0	-60.67	386.83	9.71	-50.96
CCCC[NH+]1CCC(NC(=O)NC(CC)(COC)C(=O)[O-])CC1	REAL300012563156	0	54	0.0	-77.61	396.99	7.12	-70.49
CCCC[NH+]1CCC(NC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012563157	0	57	0.0	-71.73	420.66	8.84	-62.89
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012563158	0	54	0.0	-78.00	404.18	4.77	-73.23
CCCC[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012563159	0	51	0.0	-73.30	390.22	8.13	-65.17
CCCC[NH+]1CCC(NC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012563160	0	51	0.0	-73.32	391.85	5.63	-67.69
CCCC[NH+]1CCC(NC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012563161	0	56	0.0	-70.63	406.90	9.93	-60.70
CCCC[NH+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012563162	0	47	0.0	-72.71	369.69	6.87	-65.84
CCCC[NH+]1CCC(NC(=O)N2CCCC2(CCC)C(=O)[O-])CC1	REAL300012563163	0	57	0.0	-81.90	408.69	10.96	-70.94
CCCC[NH+]1CCC(NC(=O)N(CCC)C(C)C(=O)[O-])CC1	REAL300012563164	0	53	0.0	-55.62	388.77	9.94	-45.68
CCCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012563165	0	57	0.0	-78.07	425.64	12.27	-65.80
CCCC[NH+]1CCC(NC(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012563166	0	57	0.0	-70.46	435.76	10.79	-59.67
CCCC[NH+]1CCC(NC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012563167	0	57	0.0	-73.57	419.54	10.33	-63.24
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300012563168	0	61	0.0	-78.82	444.35	7.77	-71.05
CCCC[NH+]1CCC(NC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012563169	0	47	0.0	-71.86	364.77	6.71	-65.15
CCCC[NH+]1CCC(NC(=O)NC(CC2(OC)CCC2)C(=O)[O-])CC1	REAL300012563170	0	58	0.0	-72.29	428.27	7.72	-64.57
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012563171	0	55	0.0	-60.88	400.87	8.27	-52.61
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012563172	0	57	0.0	-59.47	409.82	10.65	-48.82
CCCC[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012563173	0	57	0.0	-75.93	401.92	9.16	-66.77
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012563174	0	55	0.0	-75.73	424.30	7.94	-67.79
CCCC[NH+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012563175	0	50	0.0	-69.08	368.90	7.07	-62.01
CCCC[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012563176	0	52	0.0	-64.49	392.05	9.25	-55.24
CCCC[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012563177	0	48	0.0	-73.74	372.56	8.25	-65.49
CCCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012563178	0	55	0.0	-76.83	423.22	7.96	-68.87
CCCC[NH+]1CCC(NC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])CC1	REAL300012563179	0	57	0.0	-80.61	423.22	10.37	-70.24
CCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])CC1	REAL300012563180	0	58	0.0	-74.63	446.04	8.87	-65.76
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012563181	0	60	0.0	-76.78	415.58	9.64	-67.14
CCCC[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012563182	0	49	0.0	-84.78	365.34	9.05	-75.73
CCCC[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300012563183	0	57	0.0	-72.34	436.91	10.30	-62.04
CCCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012563184	0	56	0.0	-70.83	430.33	10.08	-60.75
CCCC[NH+]1CCC(NC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300012563185	0	55	0.0	-78.69	405.94	8.03	-70.66
CCCC[NH+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012563186	0	58	0.0	-72.45	425.08	8.14	-64.31
CCCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012563187	0	53	0.0	-71.57	387.34	7.69	-63.88
C=C(Cl)CC(NC(=O)NC1CC[NH+](CCCC)CC1)C(=O)[O-]	REAL300012563188	0	48	0.0	-68.92	386.41	7.74	-61.18
C=C(C)CC(NC(=O)NC1CC[NH+](CCCC)CC1)C(=O)[O-]	REAL300012563189	0	51	0.0	-73.67	391.32	7.86	-65.81
CCCC[NH+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012563190	0	52	0.0	-84.98	379.02	9.89	-75.09
CCCC[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012563191	0	57	0.0	-72.92	426.59	9.85	-63.07
CCCC[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012563192	0	48	0.0	-74.22	372.57	8.25	-65.97
CCCC[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012563193	0	48	0.0	-76.76	364.75	8.17	-68.59
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CCCC)CC2)C1	REAL300012563194	0	49	0.0	-79.70	371.58	8.58	-71.12
CCCC[NH+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012563195	0	58	0.0	-74.16	425.41	8.05	-66.11
CCCC[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012563196	0	53	0.0	-74.30	396.86	7.87	-66.43
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012563197	0	55	0.0	-73.15	405.29	6.57	-66.58
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012563198	0	51	0.0	-73.01	394.55	8.74	-64.27
CCCC[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012563199	0	51	0.0	-73.30	390.22	8.13	-65.17
CCCC[NH+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012563200	0	50	0.0	-70.93	403.13	6.74	-64.19
CCCC[NH+]1CCC(NC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012563201	0	59	0.0	-72.99	440.24	9.41	-63.58
CCCC[NH+]1CCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012563202	0	57	0.0	-75.12	445.19	10.05	-65.07
CCCC[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012563203	0	55	0.0	-77.40	414.35	6.94	-70.46
CCCC[NH+]1CCC(NC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012563204	0	48	0.0	-70.60	380.97	7.01	-63.59
CCCC[NH+]1CCC(NC(=O)N[C@@H](COC)C(=O)[O-])CC1	REAL300012563205	0	48	0.0	-73.59	370.02	4.80	-68.79
CCCC[NH+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012563206	0	54	0.0	-72.55	422.99	9.64	-62.91
CCCC[NH+]1CCC(NC(=O)NC(CC(C)CC)C(=O)[O-])CC1	REAL300012563207	0	56	0.0	-72.92	414.87	8.58	-64.34
C=CCCCC(NC(=O)NC1CC[NH+](CCCC)CC1)C(=O)[O-]	REAL300012563208	0	54	0.0	-73.42	413.99	8.66	-64.76
CCCC[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012563209	0	54	0.0	-73.16	422.94	9.64	-63.52
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012563210	0	57	0.0	-78.14	434.11	10.82	-67.32
CCCC[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012563211	0	49	0.0	-79.38	368.15	9.58	-69.80
CCCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012563212	0	54	0.0	-74.43	402.57	9.44	-64.99
CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012563213	0	52	0.0	-84.14	378.92	10.07	-74.07
CCCC[NH+]1CCC(NC(=O)N(CC)C(C)(C)C(=O)[O-])CC1	REAL300012563214	0	53	0.0	-75.13	382.85	9.31	-65.82
CCCC[NH+]1CCC(NC(=O)N(CCC)C(C)C(=O)[O-])CC1	REAL300012563215	0	53	0.0	-55.62	388.77	9.94	-45.68
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012563216	0	47	0.0	-68.72	370.72	8.87	-59.85
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012563217	0	47	0.0	-68.72	370.72	8.87	-59.85
CCCC[NH+]1CCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012563218	0	60	0.0	-62.21	444.43	6.86	-55.35
CCCC[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012563219	0	49	0.0	-81.01	368.95	4.76	-76.25
CCCC[NH+]1CCC(NC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012563220	1	64	0.0	-60.43	468.48	6.56	-53.87
CCCC[NH+]1CCC(NC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])CC1	REAL300012563221	0	55	0.0	-57.70	410.88	11.57	-46.13
CCCC[NH+]1CCC(NC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012563222	0	58	0.0	-65.20	420.84	11.62	-53.58
CCCC[NH+]1CCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012563223	0	56	0.0	-74.39	413.94	9.77	-64.62
CCCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012563224	0	51	0.0	-74.23	394.11	8.71	-65.52
CCCC[NH+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012563225	0	56	0.0	-75.69	434.46	8.58	-67.11
C=CCCC(NC(=O)NC1CC[NH+](CCCC)CC1)C(=O)[O-]	REAL300012563226	0	51	0.0	-72.90	392.49	7.89	-65.01
CCCC[NH+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012563227	0	50	0.0	-76.46	403.12	6.58	-69.88
CCCC[NH+]1CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012563228	0	51	0.0	-69.72	421.79	8.39	-61.33
CCCC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012563229	0	51	0.0	-87.32	387.50	6.00	-81.32
CCCC[NH+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012563230	0	52	0.0	-73.82	384.77	7.73	-66.09
CCCC[NH+]1CCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012563231	0	51	0.0	-78.06	374.43	9.04	-69.02
CCCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012563232	0	51	0.0	-74.61	393.69	8.67	-65.94
CCCC[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012563233	0	54	0.0	-71.84	408.13	7.98	-63.86
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012563234	0	54	0.0	-57.94	386.36	9.73	-48.21
CCCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	REAL300012563235	0	53	0.0	-74.83	389.40	7.52	-67.31
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012563236	0	52	0.0	-82.53	389.93	4.44	-78.09
CCCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012563237	0	60	0.0	-76.57	441.61	7.81	-68.76
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012563238	0	54	0.0	-76.10	394.23	8.28	-67.82
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012563239	0	57	0.0	-77.12	404.16	9.05	-68.07
CCCC[NH+]1CCC(NC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012563240	0	51	0.0	-73.32	391.85	5.63	-67.69
CCCC[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012563241	0	57	0.0	-72.34	425.18	11.50	-60.84
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012563242	0	54	0.0	-77.48	395.73	8.97	-68.51
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)CC1	REAL300012563243	0	61	0.0	-76.87	443.00	10.94	-65.93
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012563244	0	51	0.0	-75.62	381.78	7.92	-67.70
CCCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012563245	0	60	0.0	-74.42	442.01	7.85	-66.57
CCCC[NH+]1CCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012563246	0	49	0.0	-84.64	368.08	4.98	-79.66
CCCC[NH+]1CCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012563247	0	59	0.0	-65.06	436.59	12.19	-52.87
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012563248	0	52	0.0	-71.52	390.88	5.70	-65.82
CCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012563249	0	52	0.0	-83.17	379.11	9.63	-73.54
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012563250	0	55	0.0	-81.38	425.99	8.77	-72.61
CCCC[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012563251	0	50	0.0	-79.86	371.55	7.29	-72.57
CCCC[NH+]1CCC(NC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012563252	0	54	0.0	-81.96	389.11	10.34	-71.62
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012563253	0	57	0.0	-72.32	431.04	9.92	-62.40
CCCC[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012563254	0	58	0.0	-73.05	426.39	10.37	-62.68
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012563255	0	51	0.0	-73.29	377.83	7.52	-65.77
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012563256	0	64	0.0	-74.73	451.43	9.31	-65.42
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012563257	0	57	0.0	-73.05	411.69	8.87	-64.18
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012563258	0	51	0.0	-73.29	377.83	7.52	-65.77
CCCC[NH+]1CCC(NC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012563259	0	51	0.0	-81.03	378.25	8.75	-72.28
CCCC[NH+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012563260	0	58	0.0	-72.29	430.15	8.36	-63.93
CCCC[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012563261	0	58	0.0	-54.20	404.33	10.33	-43.87
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012563262	0	58	0.0	-76.03	408.21	7.56	-68.47
CCCC[NH+]1CCC(NC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC1	REAL300012563263	0	58	0.0	-65.83	427.20	11.52	-54.31
CCCC[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012563264	0	52	0.0	-56.77	380.09	9.51	-47.26
CCCC[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012563265	0	58	0.0	-73.05	426.39	10.37	-62.68
CCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012563266	0	54	0.0	-76.29	423.22	9.73	-66.56
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300012563267	0	52	0.0	-79.19	392.66	6.22	-72.97
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012563268	0	48	0.0	-75.03	367.71	7.29	-67.74
CCCC[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)CC1	REAL300012563269	0	52	0.0	-72.88	390.75	6.13	-66.75
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012563270	0	51	0.0	-74.76	396.14	8.34	-66.42
CCCC[NH+]1CCC(NC(=O)N2CCCC2(CC)C(=O)[O-])CC1	REAL300012563271	0	54	0.0	-81.15	387.31	10.25	-70.90
CCCC[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012563272	0	47	0.0	-67.23	373.86	7.33	-59.90
CCCC[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012563273	0	55	0.0	-75.17	413.04	6.63	-68.54
CCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012563274	0	51	0.0	-73.11	408.46	8.62	-64.49
CCCC[NH+]1CCC(NC(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012563275	0	58	0.0	-72.23	435.75	8.65	-63.58
CCCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012563276	0	53	0.0	-72.89	379.05	7.61	-65.28
CCCC[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012563277	0	49	0.0	-81.93	364.60	9.64	-72.29
CCCC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012563278	0	52	0.0	-81.37	380.61	9.25	-72.12
CCCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012563279	0	57	0.0	-78.07	425.64	12.27	-65.80
CCCC[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012563280	0	60	0.0	-73.78	438.30	9.83	-63.95
CCCC[NH+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012563281	0	57	0.0	-74.87	439.57	10.34	-64.53
CCCC[NH+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012563282	0	57	0.0	-74.09	439.33	10.41	-63.68
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012563283	0	58	0.0	-74.79	419.96	9.42	-65.37
CCCC[NH+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012563284	0	60	0.0	-73.69	438.54	9.76	-63.93
CCCC[NH+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012563285	0	60	0.0	-74.16	438.25	9.82	-64.34
CCCC[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012563286	0	58	0.0	-56.19	418.71	10.44	-45.75
CCCC[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012563287	0	58	0.0	-81.55	416.16	10.18	-71.37
CCCC[NH+]1CCC(NC(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])CC1	REAL300012563288	0	58	0.0	-75.75	446.31	8.96	-66.79
C=CCSCC(NC(=O)NC1CC[NH+](CCCC)CC1)C(=O)[O-]	REAL300012563289	0	52	0.0	-70.36	415.91	8.43	-61.93
CCCC[NH+]1CCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012563290	0	55	0.0	-74.15	437.84	9.99	-64.16
CCCC[NH+]1CCC(NC(=O)N(CC)C(CC)C(=O)[O-])CC1	REAL300012563291	0	53	0.0	-72.49	383.21	9.43	-63.06
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(OC)CCC2)CC1	REAL300012563292	0	55	0.0	-70.94	405.76	6.22	-64.72
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012563293	0	57	0.0	-74.20	419.31	9.56	-64.64
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012563294	0	58	0.0	-76.37	425.59	10.68	-65.69
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012563295	0	51	0.0	-75.59	389.67	7.99	-67.60
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300012563297	0	63	0.0	-74.39	470.55	10.96	-63.43
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300012563298	0	60	0.0	-73.11	454.53	10.56	-62.55
CCCC[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012563299	0	48	0.0	-76.76	364.75	8.17	-68.59
CCCC[NH+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012563300	0	50	0.0	-58.31	372.94	9.29	-49.02
CCCC[NH+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012563301	0	54	0.0	-80.55	393.04	9.12	-71.43
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC)C=C2)CC1	REAL300012563302	0	58	0.0	-72.43	445.05	8.88	-63.55
CCCC[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012563303	0	58	0.0	-80.54	413.53	11.14	-69.40
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012563304	0	58	0.0	-73.61	434.02	11.11	-62.50
CCCC[NH+]1CCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012563305	0	58	0.0	-78.24	436.77	9.67	-68.57
CCCC[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012563306	0	54	0.0	-77.02	429.70	9.58	-67.44
CCCC[NH+]1CCC(NC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300012563307	0	56	0.0	-73.20	418.74	8.63	-64.57
CCCC[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012563308	0	55	0.0	-56.35	403.82	9.96	-46.39
CCCC[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012563309	0	55	0.0	-75.17	413.04	6.63	-68.54
CCCC[NH+]1CCC(NC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])CC1	REAL300012563310	0	52	0.0	-76.54	400.67	9.66	-66.88
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012563311	0	55	0.0	-79.15	393.51	9.40	-69.75
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012563312	0	52	0.0	-78.75	380.66	8.50	-70.25
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012563313	0	55	0.0	-77.59	408.01	9.11	-68.48
CCCC[NH+]1CCC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012563314	0	57	0.0	-72.95	427.18	11.64	-61.31
CCCC[NH+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012563315	0	61	0.0	-56.24	432.95	10.91	-45.33
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012563316	0	54	0.0	-73.06	394.82	8.11	-64.95
CCCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300012563317	0	51	0.0	-74.99	388.02	5.86	-69.13
CCCC[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012563318	0	51	0.0	-75.25	372.78	7.81	-67.44
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012563319	0	54	0.0	-61.42	415.54	11.41	-50.01
CCCC[NH+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012563320	0	54	0.0	-56.50	396.79	9.25	-47.25
CCCC[NH+]1CCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012563321	0	55	0.0	-59.74	421.48	11.05	-48.69
CCCC[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012563322	0	51	0.0	-77.69	379.48	9.58	-68.11
CCCC[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012563323	0	48	0.0	-83.19	370.89	8.20	-74.99
CCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012563324	0	54	0.0	-76.29	423.22	9.73	-66.56
CCCC[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012563325	0	51	0.0	-73.53	407.87	8.51	-65.02
CCCC[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012563326	0	51	0.0	-70.54	386.11	9.13	-61.41
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012563327	0	55	0.0	-76.71	421.34	9.29	-67.42
CCCC[NH+]1CCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300012563328	0	59	0.0	-78.66	444.61	10.88	-67.78
CCCC[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012563329	0	51	0.0	-73.53	407.87	8.51	-65.02
CCCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012563330	0	55	0.0	-80.87	396.25	9.63	-71.24
CCCC[NH+]1CCC(NC(=O)NC(CCCOC)C(=O)[O-])CC1	REAL300012563331	0	54	0.0	-73.30	413.35	6.39	-66.91
CCCC[NH+]1CCC(NC(=O)N(C)C(CCC)C(=O)[O-])CC1	REAL300012563332	0	53	0.0	-70.31	390.50	9.51	-60.80
CCCC[NH+]1CCC(NC(=O)NC(COCC)C(=O)[O-])CC1	REAL300012563333	0	51	0.0	-74.68	391.75	5.82	-68.86
CCCC[NH+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012563334	0	56	0.0	-73.18	408.77	9.02	-64.16
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012563335	0	55	0.0	-76.58	408.93	7.11	-69.47
CCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012563336	0	55	0.0	-76.12	413.65	9.93	-66.19
CCCC[NH+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012563337	0	52	0.0	-79.93	379.97	8.07	-71.86
CCCC[NH+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012563338	0	54	0.0	-71.73	399.82	9.48	-62.25
CCCC[NH+]1CCC(NC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012563339	0	48	0.0	-74.25	379.04	7.07	-67.18
CCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300012563340	0	65	0.0	-77.90	450.04	10.73	-67.17
CCCC[NH+]1CCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012563341	0	57	0.0	-73.81	441.08	9.96	-63.85
CCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012563342	0	51	0.0	-62.33	396.75	9.52	-52.81
CCCC[NH+]1CCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012563343	0	62	0.0	-79.48	430.49	9.99	-69.49
CCCC[NH+]1CCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012563344	0	53	0.0	-70.07	428.59	8.28	-61.79
CCCC[NH+]1CCC(NC(=O)N2C[C@H](OCC)C[C@H]2C(=O)[O-])CC1	REAL300012563345	0	55	0.0	-75.75	411.68	8.51	-67.24
CC(C)C[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563346	0	59	0.0	-74.63	424.99	5.98	-68.65
C=CCOCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563347	0	58	0.0	-75.24	432.45	4.44	-70.80
C=CC(C)C(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563348	0	57	0.0	-74.45	411.89	5.53	-68.92
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3CCOCC3)CC2)CC1	REAL300012563349	0	61	0.0	-73.54	433.43	4.67	-68.87
COC1CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C(C(=O)[O-])C1	REAL300012563350	0	61	0.0	-81.68	432.67	7.06	-74.62
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCOC3)CC2)CC1	REAL300012563351	0	61	0.0	-71.74	434.74	4.69	-67.05
CC1CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C(C(=O)[O-])C1	REAL300012563352	0	60	0.0	-81.89	410.15	7.98	-73.91
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563353	0	56	0.0	-60.81	405.75	7.23	-53.58
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C1CCC1	REAL300012563354	0	60	0.0	-50.26	410.48	8.48	-41.78
CCCN(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(COC)C(=O)[O-]	REAL300012563355	0	63	0.0	-76.15	448.60	8.14	-68.01
CCCN(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(CC)C(=O)[O-]	REAL300012563356	0	62	0.0	-65.54	431.93	8.20	-57.34
CC(C)C(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563357	0	56	0.0	-72.47	401.44	5.26	-67.21
CN1CCC([NH+]2CCC(NC(=O)N3CCCCC3C(=O)[O-])CC2)CC1	REAL300012563358	0	57	0.0	-80.51	400.28	8.07	-72.44
CN1CCC([NH+]2CCC(NC(=O)N3CCSCC3C(=O)[O-])CC2)CC1	REAL300012563359	0	55	0.0	-77.20	399.86	7.80	-69.40
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CCCCC3)CC2)CC1	REAL300012563360	0	60	0.0	-76.20	415.83	6.86	-69.34
CN1CCC([NH+]2CCC(NC(=O)N3CCCC3C(=O)[O-])CC2)CC1	REAL300012563361	0	54	0.0	-80.54	385.97	6.17	-74.37
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300012563362	0	57	0.0	-74.02	405.27	5.98	-68.04
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CCCCCC3)CC2)CC1	REAL300012563363	0	63	0.0	-74.45	425.45	7.75	-66.70
CN1CCC([NH+]2CCC(NC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])CC2)CC1	REAL300012563364	0	60	0.0	-73.69	448.46	7.96	-65.73
CN1CCC([NH+]2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)CC2)CC1	REAL300012563365	0	60	0.0	-60.84	443.25	9.48	-51.36
CN1CCC([NH+]2CCC(NC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300012563366	0	57	0.0	-74.78	422.50	6.73	-68.05
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300012563367	0	57	0.0	-74.76	422.50	6.73	-68.03
CCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563368	0	53	0.0	-72.91	386.08	4.72	-68.19
CC(C)C(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563369	0	56	0.0	-72.47	401.44	5.26	-67.21
CN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563370	0	50	0.0	-71.91	366.39	5.72	-66.19
CN1CCC([NH+]2CCC(NC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])CC2)CC1	REAL300012563371	0	60	0.0	-73.69	448.46	7.96	-65.73
CC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563372	0	50	0.0	-65.46	364.49	3.63	-61.83
CCC(C)C(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563373	0	59	0.0	-75.14	417.56	5.61	-69.53
CN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563374	0	50	0.0	-71.91	366.39	5.72	-66.19
CN1CCC([NH+]2CCC(NC(=O)N3CCCCC3C(=O)[O-])CC2)CC1	REAL300012563375	0	57	0.0	-80.51	400.28	8.07	-72.44
CCCC(C)(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563376	0	59	0.0	-72.46	411.96	5.78	-66.68
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563377	0	56	0.0	-61.09	396.08	6.90	-54.19
CN1CCC([NH+]2CCC(NC(=O)N(CC(=O)[O-])C3CC3)CC2)CC1	REAL300012563378	0	54	0.0	-71.74	393.05	7.11	-64.63
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563379	0	54	0.0	-60.65	397.06	7.04	-53.61
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563380	0	59	0.0	-60.77	420.41	7.75	-53.02
CN1CCC([NH+]2CCC(NC(=O)NC(C)(C)C(=O)[O-])CC2)CC1	REAL300012563381	0	53	0.0	-63.77	377.07	4.03	-59.74
CN1CCC([NH+]2CCC(NC(=O)NC(C)(C(=O)[O-])C3CC3)CC2)CC1	REAL300012563382	0	57	0.0	-74.44	399.88	5.78	-68.66
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CS3)CC2)CC1	REAL300012563383	0	54	0.0	-72.96	414.10	5.82	-67.14
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CCCCC3)CC2)CC1	REAL300012563384	0	60	0.0	-76.20	415.83	6.86	-69.34
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563385	0	56	0.0	-61.09	396.08	6.90	-54.19
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563386	0	56	0.0	-60.81	405.75	7.23	-53.58
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563387	0	53	0.0	-72.82	384.25	6.48	-66.34
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563388	0	59	0.0	-73.88	415.87	5.60	-68.28
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300012563389	0	57	0.0	-74.02	405.27	5.98	-68.04
CCC(C)(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563390	0	56	0.0	-72.21	390.46	5.02	-67.19
CN1CCC([NH+]2CCC(NC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300012563391	0	60	0.0	-75.41	430.28	7.51	-67.90
C[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563392	0	50	0.0	-65.00	364.48	3.63	-61.37
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563393	0	53	0.0	-72.82	384.25	6.48	-66.34
CCCCCCC(C)(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563394	0	68	0.0	-72.59	476.45	8.11	-64.48
C[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563395	0	50	0.0	-64.98	364.49	3.63	-61.35
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CC3)CC2)CC1	REAL300012563396	0	51	0.0	-78.85	370.64	4.84	-74.01
CN1CCC([NH+]2CCC(NC(=O)N3CCOCC3C(=O)[O-])CC2)CC1	REAL300012563397	0	55	0.0	-78.98	387.28	5.12	-73.86
CN(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C1(C(=O)[O-])CCCCC1	REAL300012563398	0	63	0.0	-79.20	425.08	8.18	-71.02
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3CC3)CC2)CC1	REAL300012563399	0	54	0.0	-73.46	393.24	5.15	-68.31
CN(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012563400	0	60	0.0	-75.63	431.06	8.71	-66.92
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563401	0	57	0.0	-61.73	415.63	5.66	-56.07
CN1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)CC1	REAL300012563402	0	54	0.0	-78.34	391.23	6.38	-71.96
CN1CCC([NH+]2CCC(NC(=O)N3CCCC[C@@H]3C(=O)[O-])CC2)CC1	REAL300012563403	0	57	0.0	-81.35	396.14	7.54	-73.81
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563404	0	53	0.0	-70.42	376.28	5.57	-64.85
CN1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3C(=O)[O-])CC2)CC1	REAL300012563405	0	54	0.0	-77.47	385.94	6.15	-71.32
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CCC3)CC2)CC1	REAL300012563406	0	54	0.0	-77.29	387.44	5.36	-71.93
C=CCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563407	0	54	0.0	-73.09	399.60	5.12	-67.97
CN1CCC([NH+]2CCC(NC(=O)N3CCCC3(C)C(=O)[O-])CC2)CC1	REAL300012563408	0	57	0.0	-79.80	402.22	7.11	-72.69
CN1CCC([NH+]2CCC(NC(=O)N3CCCCCC3C(=O)[O-])CC2)CC1	REAL300012563409	0	60	0.0	-79.72	413.11	8.44	-71.28
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3CC3)CC2)CC1	REAL300012563410	0	54	0.0	-73.46	393.24	5.15	-68.31
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563411	0	53	0.0	-68.47	380.36	5.95	-62.52
CCCCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563412	0	59	0.0	-74.19	429.32	6.20	-67.99
CN1CCC([NH+]2CCC(NC(=O)N3CCC[C@@]3(C)C(=O)[O-])CC2)CC1	REAL300012563413	0	57	0.0	-79.78	402.15	7.09	-72.69
CN1CCC([NH+]2CCC(NC(=O)N(CC(=O)[O-])C3CCCC3)CC2)CC1	REAL300012563414	0	60	0.0	-57.05	414.51	7.82	-49.23
COCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563415	0	54	0.0	-74.54	398.04	2.94	-71.60
CCCCCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563416	0	62	0.0	-73.21	450.82	6.99	-66.22
CCC1CCC(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)(C(=O)[O-])CC1	REAL300012563417	0	66	0.0	-76.58	454.89	8.11	-68.47
CN1CCC([NH+]2CCC(NC(=O)N(CC(=O)[O-])C3CCOCC3)CC2)CC1	REAL300012563418	0	61	0.0	-58.00	432.96	6.59	-51.41
CN(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C1(C(=O)[O-])CCCC1	REAL300012563419	0	60	0.0	-78.21	415.72	7.67	-70.54
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C1CC1	REAL300012563420	0	57	0.0	-60.44	406.61	7.37	-53.07
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C1CC1	REAL300012563421	0	60	0.0	-59.78	428.05	8.57	-51.21
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3F)CC2)CC1	REAL300012563422	0	57	0.0	-80.02	426.07	6.83	-73.19
CN1CCC([NH+]2CCC(NC(=O)NC(CC3CCCCC3)C(=O)[O-])CC2)CC1	REAL300012563423	0	66	0.0	-74.48	466.40	7.92	-66.56
CC1=CC=C(C(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C(=O)[O-])C=C1	REAL300012563424	0	60	0.0	-74.82	443.87	7.41	-67.41
CN1CCC([NH+]2CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC2)CC1	REAL300012563425	0	53	0.0	-67.96	402.25	5.35	-62.61
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CCSCC3)CC2)CC1	REAL300012563426	0	58	0.0	-73.60	413.50	6.54	-67.06
COCC(C)(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563427	0	57	0.0	-76.71	408.70	4.31	-72.40
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563428	0	60	0.0	-70.01	432.03	6.38	-63.63
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563429	0	59	0.0	-60.77	420.41	7.75	-53.02
CN1CCC([NH+]2CCC(NC(=O)N(CC(=O)[O-])C3CC3)CC2)CC1	REAL300012563430	0	54	0.0	-71.74	393.05	7.11	-64.63
CN1CCC([NH+]2CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC2)CC1	REAL300012563431	0	56	0.0	-60.84	423.88	7.61	-53.23
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CCOC3)CC2)CC1	REAL300012563432	0	55	0.0	-73.12	391.95	3.16	-69.96
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCCC3)CC2)CC1	REAL300012563433	0	63	0.0	-75.42	440.05	6.86	-68.56
CN(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012563434	0	64	0.0	-73.30	455.07	7.44	-65.86
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300012563435	0	58	0.0	-73.33	411.20	4.60	-68.73
C=CCCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563436	0	57	0.0	-72.60	420.39	6.04	-66.56
CN1CCC([NH+]2CCC(NC(=O)NC(CF)C(=O)[O-])CC2)CC1	REAL300012563437	0	50	0.0	-62.98	368.42	3.64	-59.34
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563438	0	53	0.0	-68.47	380.36	5.95	-62.52
CCC(CC)(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563439	0	59	0.0	-73.32	406.85	5.91	-67.41
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563440	0	59	0.0	-60.09	414.98	7.81	-52.28
CCC(COC)(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563441	0	60	0.0	-77.97	425.14	5.22	-72.75
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563442	0	63	0.0	-70.18	452.13	7.03	-63.15
CN1CCC([NH+]2CCC(NC(=O)NC(CC3CC3)C(=O)[O-])CC2)CC1	REAL300012563443	0	57	0.0	-72.79	418.19	6.15	-66.64
COCCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563444	0	57	0.0	-73.55	419.99	3.72	-69.83
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563445	0	62	0.0	-69.35	438.55	8.22	-61.13
CN1CCC([NH+]2CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC2)CC1	REAL300012563446	0	53	0.0	-68.93	396.11	5.20	-63.73
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563447	0	63	0.0	-78.87	437.36	8.76	-70.11
CCCN(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(C)C(=O)[O-]	REAL300012563448	0	59	0.0	-54.76	416.92	8.04	-46.72
CN1CCC([NH+]2CCC(NC(=O)NC(CCF)C(=O)[O-])CC2)CC1	REAL300012563449	0	53	0.0	-71.71	392.67	4.86	-66.85
COC1(CC(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C(=O)[O-])CCC1	REAL300012563450	0	64	0.0	-72.93	456.65	5.76	-67.17
CN1CCC([NH+]2CCC(NC(=O)N(CC(=O)[O-])C3CCOCC3)CC2)CC1	REAL300012563451	0	61	0.0	-58.00	432.96	6.59	-51.41
CN1CCC([NH+]2CCC(NC(=O)N(CC(=O)[O-])C3CCCCC3)CC2)CC1	REAL300012563452	0	63	0.0	-58.61	437.97	8.74	-49.87
C[C@H]1CC[C@@](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)(C(=O)[O-])CC1	REAL300012563453	0	63	0.0	-77.65	429.61	7.25	-70.40
CN1CCC([NH+]2CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC2)CC1	REAL300012563454	0	56	0.0	-69.40	397.05	5.16	-64.24
CN1CCC([NH+]2CCC(NC(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])CC2)CC1	REAL300012563455	0	58	0.0	-63.88	420.20	7.35	-56.53
CN1CCC([NH+]2CCC(NC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])CC2)CC1	REAL300012563456	0	54	0.0	-73.25	398.94	6.33	-66.92
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563457	0	53	0.0	-70.35	377.33	5.73	-64.62
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)CC2)CC1	REAL300012563458	0	66	0.0	-77.65	443.73	7.74	-69.91
CN1CCC([NH+]2CCC(NC(=O)N3CC4CC3(C(=O)[O-])C4)CC2)CC1	REAL300012563459	0	55	0.0	-85.45	393.49	7.15	-78.30
COC1CN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C(C)(C(=O)[O-])C1	REAL300012563460	0	61	0.0	-79.15	434.09	6.12	-73.03
CN1CCC([NH+]2CCC(NC(=O)NC(CC3CCCOC3)C(=O)[O-])CC2)CC1	REAL300012563461	0	64	0.0	-73.16	453.47	6.16	-67.00
CN1CCC([NH+]2CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC2)CC1	REAL300012563462	0	59	0.0	-72.97	415.50	5.78	-67.19
C=C(Cl)CC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563463	0	54	0.0	-74.76	415.59	5.70	-69.06
C=C(C)CC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563464	0	57	0.0	-73.58	419.34	5.88	-67.70
CN1CCC([NH+]2CCC(NC(=O)N3C4CCC3(C(=O)[O-])CC4)CC2)CC1	REAL300012563465	0	58	0.0	-84.13	411.14	8.21	-75.92
CN1CCC([NH+]2CCC(NC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])CC2)CC1	REAL300012563466	0	54	0.0	-73.00	404.22	6.54	-66.46
CN1CCC([NH+]2CCC(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)CC1	REAL300012563467	0	54	0.0	-75.16	396.41	6.47	-68.69
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1	REAL300012563468	0	55	0.0	-81.22	400.62	6.59	-74.63
CN1CCC([NH+]2CCC(NC(=O)NC(CC3CCOCC3)C(=O)[O-])CC2)CC1	REAL300012563469	0	64	0.0	-74.67	453.56	6.15	-68.52
CC(C)C[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563470	0	59	0.0	-74.63	424.99	5.98	-68.65
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3CCOCC3)CC2)CC1	REAL300012563471	0	61	0.0	-73.54	433.43	4.67	-68.87
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300012563472	0	57	0.0	-74.76	422.50	6.73	-68.03
CN1CCC([NH+]2CCC(NC(=O)NC(CC3CC3)C(=O)[O-])CC2)CC1	REAL300012563473	0	57	0.0	-72.79	418.19	6.15	-66.64
CN1CCC([NH+]2CCC(NC(=O)NC(CC3=CN=CS3)C(=O)[O-])CC2)CC1	REAL300012563474	0	56	0.0	-69.53	434.40	5.08	-64.45
CC(C)CCCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563475	0	65	0.0	-73.24	468.39	7.49	-65.75
CN1CCC([NH+]2CCC(NC(=O)NC(CC3CCCO3)C(=O)[O-])CC2)CC1	REAL300012563476	0	61	0.0	-75.70	446.46	5.27	-70.43
CSCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563477	0	54	0.0	-71.05	410.02	5.01	-66.04
COC[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563478	0	54	0.0	-75.30	397.68	2.89	-72.41
CC[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563479	0	53	0.0	-73.66	385.47	4.68	-68.98
CCC(C)CC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563480	0	62	0.0	-73.64	443.25	6.62	-67.02
C=CCCCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563481	0	60	0.0	-73.02	441.30	6.79	-66.23
CN1CCC([NH+]2CCC(NC(=O)N3CCSCC3C(=O)[O-])CC2)CC1	REAL300012563482	0	55	0.0	-77.20	399.86	7.80	-69.40
CN1CCC([NH+]2CCC(NC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300012563483	0	60	0.0	-75.41	430.28	7.51	-67.90
CN1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)CC1	REAL300012563484	0	54	0.0	-78.34	391.23	6.38	-71.96
CCCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563485	0	56	0.0	-72.90	407.58	5.48	-67.42
CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563486	0	56	0.0	-73.68	398.43	4.98	-68.70
CN1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])CC2)CC1	REAL300012563487	0	58	0.0	-82.28	410.58	8.36	-73.92
CCN(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(C)(C)C(=O)[O-]	REAL300012563488	0	59	0.0	-75.47	410.99	7.41	-68.06
CCCN(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(C)C(=O)[O-]	REAL300012563489	0	59	0.0	-54.76	416.92	8.04	-46.72
CN1CCC([NH+]2CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC2)CC1	REAL300012563490	0	53	0.0	-68.86	398.86	6.97	-61.89
CN1CCC([NH+]2CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC2)CC1	REAL300012563491	0	53	0.0	-68.86	398.86	6.97	-61.89
CN(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(C)(C)C(=O)[O-]	REAL300012563492	0	56	0.0	-74.67	395.41	6.78	-67.89
CN1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3C(=O)[O-])CC2)CC1	REAL300012563493	0	54	0.0	-77.47	385.94	6.15	-71.32
CN1CCC([NH+]2CCC(NC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])CC2)CC1	REAL300012563494	0	55	0.0	-80.56	401.05	3.08	-77.48
CCC[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563495	0	56	0.0	-73.37	407.80	5.43	-67.94
CN1CCC([NH+]2CCC(NC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300012563496	0	57	0.0	-74.78	422.50	6.73	-68.05
C=CCCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563497	0	57	0.0	-72.60	420.39	6.04	-66.56
CN1CCC([NH+]2CCC(NC(=O)NC(CC3=NC=CS3)C(=O)[O-])CC2)CC1	REAL300012563498	0	56	0.0	-75.54	435.22	4.89	-70.65
CN1CCC([NH+]2CCC(NC(=O)N3CC(=O)N(C)CC3C(=O)[O-])CC2)CC1	REAL300012563499	0	58	0.0	-74.28	412.92	5.83	-68.45
CN1CCC([NH+]2CCC(NC(=O)N3CCC[C@]3(C)C(=O)[O-])CC2)CC1	REAL300012563500	0	57	0.0	-78.60	402.12	7.11	-71.49
CC(C)[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563501	0	56	0.0	-72.84	400.48	5.20	-67.64
CN1CCC([NH+]2CCC(NC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300012563502	0	57	0.0	-75.06	422.22	6.81	-68.25
CN1CCC([NH+]2CCC(NC(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])CC2)CC1	REAL300012563503	0	60	0.0	-71.25	436.29	6.09	-65.16
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563504	0	53	0.0	-70.35	377.33	5.73	-64.62
CCC[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563505	0	56	0.0	-74.27	407.80	5.42	-68.85
CCN(C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(C)C(=O)[O-]	REAL300012563506	0	56	0.0	-71.83	395.29	6.59	-65.24
CN1CCC([NH+]2CCC(NC(=O)N(CC(=O)[O-])C3CCCC3)CC2)CC1	REAL300012563507	0	60	0.0	-57.05	414.51	7.82	-49.23
CC(CN(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563508	0	56	0.0	-75.91	401.74	6.62	-69.29
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563509	0	59	0.0	-73.88	415.87	5.60	-68.28
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563510	0	56	0.0	-71.34	396.67	6.81	-64.53
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CC(CO)C3)CC2)CC1	REAL300012563511	0	58	0.0	-83.09	418.08	2.53	-80.56
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563512	0	66	0.0	-75.93	469.58	5.94	-69.99
CC1CCC(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)(C(=O)[O-])C1	REAL300012563513	0	60	0.0	-76.46	422.38	6.37	-70.09
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC3(C)C)CC2)CC1	REAL300012563514	0	63	0.0	-75.62	435.81	7.35	-68.27
COCCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563515	0	57	0.0	-73.55	419.99	3.72	-69.83
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CC(C)(C)C3)CC2)CC1	REAL300012563516	0	60	0.0	-75.52	427.82	7.28	-68.24
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3(C)CC3)CC2)CC1	REAL300012563517	0	57	0.0	-75.78	409.92	6.02	-69.76
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563518	0	66	0.0	-75.31	470.85	5.89	-69.42
CN1CCC([NH+]2CCC(NC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])CC2)CC1	REAL300012563519	0	55	0.0	-84.21	399.72	3.28	-80.93
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3CCOC3)CC2)CC1	REAL300012563520	0	58	0.0	-72.72	420.84	3.79	-68.93
CN1CCC([NH+]2CCC(NC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])CC2)CC1	REAL300012563521	0	58	0.0	-81.69	410.73	7.92	-73.77
CN1CCC([NH+]2CCC(NC(=O)N3CC4CC3(C(=O)[O-])CO4)CC2)CC1	REAL300012563522	0	56	0.0	-78.84	399.23	5.45	-73.39
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1	REAL300012563523	0	60	0.0	-80.01	421.21	8.66	-71.35
CN1CCC([NH+]2CCC(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])CC2)CC1	REAL300012563524	0	64	0.0	-73.30	454.54	8.46	-64.84
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)CC2)CC1	REAL300012563525	0	57	0.0	-73.47	405.97	5.61	-67.86
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCCC3)CC2)CC1	REAL300012563526	0	63	0.0	-75.42	440.05	6.86	-68.56
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)CC2)CC1	REAL300012563527	0	57	0.0	-73.47	405.97	5.61	-67.86
CC1CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1C(=O)[O-]	REAL300012563528	0	57	0.0	-77.61	405.20	6.95	-70.66
C=CCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563529	0	54	0.0	-73.09	399.60	5.12	-67.97
CN1CCC([NH+]2CCC(NC(=O)NC(CC3CCCCO3)C(=O)[O-])CC2)CC1	REAL300012563530	0	64	0.0	-72.99	458.54	6.39	-66.60
CN1CCC([NH+]2CCC(NC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)CC2)CC1	REAL300012563531	0	64	0.0	-52.63	435.98	8.63	-44.00
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)CC2)CC1	REAL300012563532	0	64	0.0	-76.46	436.35	5.66	-70.80
CN1CCC([NH+]2CCC(NC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])CC2)CC1	REAL300012563533	0	58	0.0	-56.86	411.74	7.81	-49.05
CN1CCC([NH+]2CCC(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])CC2)CC1	REAL300012563534	0	64	0.0	-73.30	454.54	8.46	-64.84
COC1CC(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)(C(=O)[O-])C1	REAL300012563535	0	58	0.0	-79.67	420.81	4.31	-75.36
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CC(F)(F)C3)CC2)CC1	REAL300012563536	0	54	0.0	-73.28	399.81	5.61	-67.67
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)(C(=O)[O-])C1	REAL300012563537	0	58	0.0	-73.31	419.25	4.19	-69.12
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563538	0	60	0.0	-80.11	419.42	8.57	-71.54
CN1CCC([NH+]2CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC2)CC1	REAL300012563539	0	53	0.0	-67.96	402.25	5.35	-62.61
CN1CCC([NH+]2CCC(NC(=O)NC(CC3CCOC3)C(=O)[O-])CC2)CC1	REAL300012563540	0	61	0.0	-75.66	440.13	4.67	-70.99
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])COC3)CC2)CC1	REAL300012563541	0	52	0.0	-69.33	382.21	2.62	-66.71
CN1CCC([NH+]2CCC(NC(=O)NC(CC3=CC=CS3)C(=O)[O-])CC2)CC1	REAL300012563542	0	57	0.0	-71.77	439.74	6.98	-64.79
CC(C)C(C)(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563543	0	59	0.0	-72.86	405.38	5.65	-67.21
CN1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])CC2)CC1	REAL300012563544	0	55	0.0	-82.67	392.29	7.71	-74.96
CN1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])CC2)CC1	REAL300012563545	0	58	0.0	-78.47	412.26	7.56	-70.91
CN1CCC([NH+]2CCC(NC(=O)NC(CC3CCCCC3)C(=O)[O-])CC2)CC1	REAL300012563546	0	66	0.0	-74.48	466.40	7.92	-66.56
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3CC4CCC3C4)CC2)CC1	REAL300012563547	0	64	0.0	-74.98	448.11	7.51	-67.47
CN1CCC([NH+]2CCC(NC(=O)N[C@H](CC3CCCCC3)C(=O)[O-])CC2)CC1	REAL300012563548	0	66	0.0	-73.41	466.44	7.93	-65.48
CN1CCC([NH+]2CCC(NC(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])CC2)CC1	REAL300012563549	0	66	0.0	-74.53	466.40	7.92	-66.61
CN1CCC([NH+]2CCC(NC(=O)N3CC4(CCCC4)CC3C(=O)[O-])CC2)CC1	REAL300012563550	0	64	0.0	-54.95	446.85	8.54	-46.41
CN1CCC([NH+]2CCC(NC(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])CC2)CC1	REAL300012563551	0	64	0.0	-78.97	448.77	8.69	-70.28
C=CCSCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563552	0	58	0.0	-71.03	444.30	6.46	-64.57
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563553	0	59	0.0	-72.67	411.36	7.52	-65.15
COC1(C(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C(=O)[O-])CCC1	REAL300012563554	0	61	0.0	-71.17	433.91	4.32	-66.85
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CC(C(F)F)C3)CC2)CC1	REAL300012563555	0	57	0.0	-77.86	423.39	6.41	-71.45
CN1CCC([NH+]2CCC(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)CC1	REAL300012563557	0	54	0.0	-75.16	396.41	6.47	-68.69
CN1CCC([NH+]2CCC(NC(=O)N3C4C=CC(C4)C3C(=O)[O-])CC2)CC1	REAL300012563558	0	56	0.0	-57.36	401.08	7.39	-49.97
CN1CCC([NH+]2CCC(NC(=O)N3CCC(C)(C)C3C(=O)[O-])CC2)CC1	REAL300012563559	0	60	0.0	-78.50	425.15	7.44	-71.06
CN1CCC([NH+]2CCC(NC(=O)N3CC4(CCC4)CCC3C(=O)[O-])CC2)CC1	REAL300012563560	0	64	0.0	-81.10	441.68	9.23	-71.87
CC(C)CCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563561	0	62	0.0	-73.39	446.88	6.72	-66.67
CN1CCC([NH+]2CCC(NC(=O)N3CC4(CCC4)CC3C(=O)[O-])CC2)CC1	REAL300012563562	0	61	0.0	-57.04	436.84	8.21	-48.83
CN1CCC([NH+]2CCC(NC(=O)NC(CC3CCOC3)C(=O)[O-])CC2)CC1	REAL300012563563	0	61	0.0	-75.66	440.13	4.67	-70.99
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1	REAL300012563564	0	58	0.0	-74.83	432.31	7.96	-66.87
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC4CC43)CC2)CC1	REAL300012563565	0	61	0.0	-75.89	425.61	7.72	-68.17
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CCC4CC43)CC2)CC1	REAL300012563566	0	58	0.0	-79.18	408.80	6.59	-72.59
CN1CCC([NH+]2CCC(NC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)CC2)CC1	REAL300012563567	0	61	0.0	-78.02	436.16	7.21	-70.81
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCC3)CC2)CC1	REAL300012563568	0	60	0.0	-74.78	429.74	6.37	-68.41
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563569	0	57	0.0	-75.56	416.31	3.90	-71.66
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563570	0	57	0.0	-73.49	404.44	6.11	-67.38
CN1CCC([NH+]2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)CC2)CC1	REAL300012563571	0	60	0.0	-60.84	443.25	9.48	-51.36
CN1CCC([NH+]2CCC(NC(=O)N3CC(C)(C)CC3C(=O)[O-])CC2)CC1	REAL300012563572	0	60	0.0	-54.81	428.84	7.58	-47.23
CN1CCC([NH+]2CCC(NC(=O)N3CCC(F)(F)CC3C(=O)[O-])CC2)CC1	REAL300012563573	0	57	0.0	-76.90	411.13	7.87	-69.03
CN1CCC([NH+]2CCC(NC(=O)N3CCC(F)(F)C3C(=O)[O-])CC2)CC1	REAL300012563574	0	54	0.0	-83.68	399.03	6.30	-77.38
CN1CCC([NH+]2CCC(NC(=O)NC(CC3=CSC=C3)C(=O)[O-])CC2)CC1	REAL300012563575	0	57	0.0	-71.15	438.69	6.83	-64.32
CN1CCC([NH+]2CCC(NC(=O)N3CC(F)(F)CC3(C)C(=O)[O-])CC2)CC1	REAL300012563576	0	57	0.0	-72.91	414.27	7.22	-65.69
CN1CCC([NH+]2CCC(NC(=O)NC(CC3=CSC=C3)C(=O)[O-])CC2)CC1	REAL300012563577	0	57	0.0	-71.15	438.69	6.83	-64.32
CN1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])CC2)CC1	REAL300012563578	0	61	0.0	-80.44	427.91	7.95	-72.49
COCCCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563579	0	60	0.0	-72.81	440.66	4.52	-68.29
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563580	0	59	0.0	-69.01	422.15	7.81	-61.20
CCOCC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300012563581	0	57	0.0	-75.61	419.55	3.87	-71.74
CN1CCC([NH+]2CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC2)CC1	REAL300012563582	0	62	0.0	-73.32	436.91	7.12	-66.20
CN1CCC([NH+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCCO3)CC2)CC1	REAL300012563583	0	61	0.0	-76.19	437.55	5.21	-70.98
C[C@H]1OCCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)[C@@H]1C(=O)[O-]	REAL300012563584	0	58	0.0	-79.38	407.09	5.87	-73.51
CN1CCC([NH+]2CCC(NC(=O)NC(CCC#N)C(=O)[O-])CC2)CC1	REAL300012563585	0	54	0.0	-74.51	407.18	5.16	-69.35
CN1CCC([NH+]2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CO3)CC2)CC1	REAL300012563586	0	57	0.0	-61.81	424.90	7.62	-54.19
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300012563587	0	53	0.0	-70.42	376.28	5.57	-64.85
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1	REAL300012563588	0	61	0.0	-76.05	439.36	6.58	-69.47
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC3=CC=CN=C32)CC1	REAL300012564029	0	55	0.0	-67.87	431.30	7.90	-59.97
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCN2CCOC(C)(C)C2)CC1	REAL300012564744	0	62	0.0	-63.16	455.59	4.39	-58.77
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CSC=N2)CC1	REAL300012564962	0	46	0.0	-62.65	375.80	4.41	-58.24
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CC(O)=C2)CC1	REAL300012565171	0	54	0.0	-65.97	423.71	5.33	-60.64
CC(C)C[C@H](NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565290	1	51	0.0	-75.35	383.40	5.55	-69.80
C=CCOCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565291	1	50	0.0	-76.43	391.33	4.00	-72.43
C=CC(C)C(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565292	1	49	0.0	-76.16	369.51	5.12	-71.04
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C[NH+]1CCOCC1	REAL300012565293	1	53	0.0	-76.04	394.74	4.25	-71.79
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C[NH+]1CCOCC1	REAL300012565294	1	49	0.0	-71.52	393.59	6.40	-65.12
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C[NH+]1CCOCC1	REAL300012565295	1	49	0.0	-71.45	403.48	6.85	-64.60
COC1CCN(C(=O)NCC(C)C[NH+]2CCOCC2)C(C(=O)[O-])C1	REAL300012565296	1	53	0.0	-78.66	384.48	6.30	-72.36
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C[NH+]1CCOCC1	REAL300012565297	1	53	0.0	-74.12	388.60	4.10	-70.02
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565298	1	52	0.0	-79.06	375.62	7.97	-71.09
CC1=CC(C(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])=CC=C1F	REAL300012565299	1	52	0.0	-72.91	407.36	7.06	-65.85
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C[NH+]1CCOCC1	REAL300012565300	1	54	0.0	-77.16	416.78	6.13	-71.03
CC1=CC(C)=CC(C(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300012565301	1	55	0.0	-77.96	423.71	7.61	-70.35
CC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1C	REAL300012565302	1	55	0.0	-77.46	419.28	7.49	-69.97
COC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1Cl	REAL300012565303	1	53	0.0	-76.68	426.40	6.13	-70.55
CC1=CC=CC(C(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])=C1C	REAL300012565304	1	55	0.0	-79.38	415.01	7.29	-72.09
COC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1F	REAL300012565305	1	53	0.0	-77.18	416.34	5.73	-71.45
CCCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565306	1	48	0.0	-62.01	364.06	6.73	-55.28
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)C[NH+]1CCOCC1	REAL300012565307	1	52	0.0	-64.16	377.18	7.17	-56.99
CCCN(C(=O)NCC(C)C[NH+]1CCOCC1)C(COC)C(=O)[O-]	REAL300012565308	1	55	0.0	-71.94	406.84	7.72	-64.22
CCCN(C(=O)NCC(C)C[NH+]1CCOCC1)C(CC)C(=O)[O-]	REAL300012565309	1	54	0.0	-57.60	387.48	8.44	-49.16
CC(C)C(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565310	1	48	0.0	-74.00	355.83	4.51	-69.49
CC(CNC(=O)N1CCCCC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565311	1	49	0.0	-78.93	354.69	7.35	-71.58
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C[NH+]1CCOCC1	REAL300012565312	1	49	0.0	-72.32	396.98	6.83	-65.49
CC(CNC(=O)N1CCSCC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565313	1	47	0.0	-82.47	354.62	7.24	-75.23
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)C[NH+]1CCOCC1	REAL300012565314	1	52	0.0	-78.41	374.22	6.42	-71.99
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)C[NH+]1CCOCC1	REAL300012565315	1	49	0.0	-78.76	359.13	5.28	-73.48
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C[NH+]1CCOCC1	REAL300012565316	1	55	0.0	-72.44	379.80	7.05	-65.39
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565317	1	52	0.0	-77.57	403.14	7.22	-70.35
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C[NH+]1CCOCC1	REAL300012565318	1	52	0.0	-61.44	401.64	9.02	-52.42
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCOCC1	REAL300012565319	1	49	0.0	-77.25	380.89	6.29	-70.96
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCOCC1	REAL300012565320	1	49	0.0	-76.56	380.86	6.29	-70.27
CC(C)C(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565321	1	48	0.0	-74.00	355.83	4.51	-69.49
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565322	1	52	0.0	-77.57	403.14	7.22	-70.35
CCC(C)C(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565323	1	51	0.0	-75.87	375.95	5.17	-70.70
CC(CNC(=O)N1CCCCC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565324	1	49	0.0	-78.93	354.69	7.35	-71.58
CCCC(C)(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565325	1	51	0.0	-74.61	370.35	5.34	-69.27
CC(CNC(=O)N(CC(=O)[O-])C(C)C)C[NH+]1CCOCC1	REAL300012565326	1	48	0.0	-62.88	352.39	6.30	-56.58
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565327	1	51	0.0	-61.92	378.71	7.25	-54.67
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565328	1	53	0.0	-84.81	392.41	9.25	-75.56
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C[NH+]1CCOCC1	REAL300012565329	1	49	0.0	-76.94	358.35	5.34	-71.60
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C[NH+]1CCOCC1	REAL300012565330	1	46	0.0	-74.31	372.24	5.44	-68.87
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)C[NH+]1CCOCC1	REAL300012565331	1	52	0.0	-78.41	374.22	6.42	-71.99
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C[NH+]1CCOCC1	REAL300012565332	1	52	0.0	-59.10	418.37	9.54	-49.56
CC(CNC(=O)N(CC(=O)[O-])C(C)C)C[NH+]1CCOCC1	REAL300012565333	1	48	0.0	-62.88	352.39	6.30	-56.58
CCCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565334	1	48	0.0	-62.01	364.06	6.73	-55.28
CC(CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565335	1	56	0.0	-77.95	432.21	7.31	-70.64
CC[C@H](C)[C@H](NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565336	1	51	0.0	-75.88	375.95	5.17	-70.71
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)C[NH+]1CCOCC1	REAL300012565337	1	49	0.0	-78.76	359.13	5.28	-73.48
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C[NH+]1CCOCC1	REAL300012565338	1	52	0.0	-59.26	408.05	9.09	-50.17
CCC(C)(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565339	1	48	0.0	-74.28	348.85	4.58	-69.70
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C[NH+]1CCOCC1	REAL300012565340	1	53	0.0	-78.23	398.83	7.46	-70.77
CC(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C[NH+]1CCOCC1	REAL300012565341	1	49	0.0	-76.48	391.47	6.50	-69.98
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCOCC1	REAL300012565342	1	52	0.0	-76.67	388.67	7.06	-69.61
CCCCCCC(C)(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565343	1	60	0.0	-74.69	434.84	7.67	-67.02
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565344	1	55	0.0	-69.50	412.13	9.20	-60.30
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C[NH+]1CCOCC1	REAL300012565345	1	49	0.0	-72.32	396.98	6.83	-65.49
CC(CNC(=O)N1CCOCC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565346	1	47	0.0	-81.88	345.99	4.86	-77.02
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)C[NH+]1CCOCC1	REAL300012565347	1	55	0.0	-80.07	383.49	7.73	-72.34
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C[NH+]1CCOCC1	REAL300012565348	1	55	0.0	-63.05	423.96	9.75	-53.30
CC(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCOCC1	REAL300012565349	1	52	0.0	-73.98	388.14	7.85	-66.13
COCCN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565350	1	49	0.0	-62.80	373.94	5.16	-57.64
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C[NH+]1CCOCC1	REAL300012565351	1	53	0.0	-80.90	395.90	7.40	-73.50
CC(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565352	1	49	0.0	-78.03	354.48	7.29	-70.74
CC(CNC(=O)N1CCCC1(C)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565353	1	49	0.0	-81.55	360.60	6.66	-74.89
CC(CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565354	1	56	0.0	-83.76	436.79	7.23	-76.53
CC(CNC(=O)N1CCCCCC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565355	1	52	0.0	-82.05	367.80	7.67	-74.38
CCCCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565356	1	51	0.0	-74.16	386.88	5.76	-68.40
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C[NH+]1CCOCC1	REAL300012565357	1	55	0.0	-63.05	423.96	9.75	-53.30
CC(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565358	1	49	0.0	-81.64	360.74	6.68	-74.96
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)C[NH+]1CCOCC1	REAL300012565359	1	52	0.0	-62.06	378.99	7.59	-54.47
COCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565360	1	46	0.0	-76.43	356.57	2.45	-73.98
CCCCCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565361	1	54	0.0	-74.84	409.21	6.53	-68.31
CCC1CCC(NC(=O)NCC(C)C[NH+]2CCOCC2)(C(=O)[O-])CC1	REAL300012565362	1	58	0.0	-79.23	413.29	7.66	-71.57
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C[NH+]1CCOCC1	REAL300012565363	1	53	0.0	-62.56	387.41	5.92	-56.64
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)C[NH+]1CCOCC1	REAL300012565364	1	52	0.0	-82.74	371.70	7.23	-75.51
CC(CNC(=O)N(C(C)C(=O)[O-])C1CC1)C[NH+]1CCOCC1	REAL300012565365	1	49	0.0	-64.22	361.04	6.71	-57.51
CCC(C(=O)[O-])N(C(=O)NCC(C)C[NH+]1CCOCC1)C1CC1	REAL300012565366	1	52	0.0	-74.74	376.45	7.64	-67.10
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C[NH+]1CCOCC1	REAL300012565367	1	49	0.0	-77.59	391.62	6.75	-70.84
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C[NH+]1CCOCC1	REAL300012565368	1	49	0.0	-82.12	385.28	6.37	-75.75
CC(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565369	1	53	0.0	-65.36	395.79	8.71	-56.65
CC(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565370	1	52	0.0	-74.68	416.37	7.30	-67.38
CC(CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565371	1	58	0.0	-81.06	446.81	9.28	-71.78
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565372	1	58	0.0	-75.62	425.10	7.42	-68.20
CC(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)C[NH+]1CCOCC1	REAL300012565373	1	55	0.0	-59.61	413.60	9.60	-50.01
CC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012565374	1	52	0.0	-77.29	402.27	6.96	-70.33
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565375	1	45	0.0	-69.55	360.64	4.90	-64.65
CC(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C[NH+]1CCOCC1	REAL300012565376	1	55	0.0	-78.67	426.85	8.56	-70.11
CC(CNC(=O)NC1(C(=O)[O-])CCSCC1)C[NH+]1CCOCC1	REAL300012565377	1	50	0.0	-74.51	371.92	6.08	-68.43
COCC(C)(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565378	1	49	0.0	-78.69	367.09	3.87	-74.82
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565379	1	52	0.0	-71.30	386.20	5.71	-65.59
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565380	1	51	0.0	-61.92	378.71	7.25	-54.67
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565381	1	58	0.0	-59.05	421.80	9.55	-49.50
CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C[NH+]1CCOCC1	REAL300012565382	1	48	0.0	-62.23	382.19	7.11	-55.12
CC(CNC(=O)NC1(C(=O)[O-])CCOC1)C[NH+]1CCOCC1	REAL300012565383	1	47	0.0	-74.86	350.24	2.72	-72.14
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C[NH+]1CCOCC1	REAL300012565384	1	55	0.0	-77.15	397.78	6.49	-70.66
CC(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565385	1	56	0.0	-74.47	414.01	6.98	-67.49
CC(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C[NH+]1CCOCC1	REAL300012565386	1	56	0.0	-83.99	420.00	10.23	-73.76
CC(CNC(=O)NC1(C(=O)[O-])CCOCC1)C[NH+]1CCOCC1	REAL300012565387	1	50	0.0	-77.64	365.66	3.92	-73.72
C=CCCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565388	1	49	0.0	-74.54	379.02	5.53	-69.01
CC(CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565389	1	55	0.0	-55.96	408.87	10.00	-45.96
CCC(CC)(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565390	1	51	0.0	-75.49	365.52	5.47	-70.02
COC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012565391	1	53	0.0	-75.72	409.74	5.61	-70.11
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565392	1	51	0.0	-60.99	374.63	7.62	-53.37
CCC(COC)(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565393	1	52	0.0	-80.05	383.77	4.77	-75.28
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565394	1	55	0.0	-71.83	406.47	6.45	-65.38
CC(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C[NH+]1CCOCC1	REAL300012565395	1	52	0.0	-80.49	390.76	2.42	-78.07
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565396	1	49	0.0	-74.85	376.32	5.77	-69.08
COCCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565397	1	49	0.0	-75.06	378.38	3.28	-71.78
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565398	1	54	0.0	-71.24	392.91	7.55	-63.69
CC(CNC(=O)NC(CC(F)F)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565399	1	45	0.0	-74.39	357.06	4.50	-69.89
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565400	1	55	0.0	-83.51	395.25	8.62	-74.89
CCCN(C(=O)NCC(C)C[NH+]1CCOCC1)C(C)C(=O)[O-]	REAL300012565401	1	51	0.0	-67.04	374.05	6.86	-60.18
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565402	1	55	0.0	-56.01	408.85	10.01	-46.00
CCC(NC(=O)NCC(C)C[NH+]1CCOCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012565403	1	55	0.0	-74.15	422.31	8.44	-65.71
CCC(NC(=O)NCC(C)C[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012565404	1	55	0.0	-77.45	405.54	7.93	-69.52
COC1CCCC(C(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])C1	REAL300012565405	1	59	0.0	-80.98	430.24	5.49	-75.49
CC(CNC(=O)NC(CCF)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565406	1	45	0.0	-73.69	351.31	4.35	-69.34
COC1(CC(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])CCC1	REAL300012565407	1	56	0.0	-76.57	414.80	5.62	-70.95
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C[NH+]1CCOCC1	REAL300012565408	1	53	0.0	-62.56	387.41	5.92	-56.64
CC(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C[NH+]1CCOCC1	REAL300012565409	1	55	0.0	-62.57	396.37	8.29	-54.28
CC(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)C[NH+]1CCOCC1	REAL300012565410	1	55	0.0	-78.68	388.11	6.83	-71.85
COC1=CC=CC(C(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300012565411	1	53	0.0	-78.27	409.74	5.60	-72.67
CC(CNC(=O)NC(C)(CCF)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565412	1	48	0.0	-71.37	355.44	4.71	-66.66
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565413	1	50	0.0	-67.44	378.23	6.90	-60.54
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565414	1	46	0.0	-74.94	357.36	5.98	-68.96
COC1=CC=CC([C@H](NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300012565415	1	53	0.0	-78.27	409.74	5.60	-72.67
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCOCC2)C1	REAL300012565416	1	55	0.0	-77.46	409.39	7.96	-69.50
COC1=CC=CC(CC(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300012565417	1	56	0.0	-75.27	432.35	6.58	-68.69
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C[NH+]1CCOCC1	REAL300012565418	1	58	0.0	-80.58	402.16	7.28	-73.30
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C[NH+]1CCOCC1	REAL300012565419	1	47	0.0	-86.79	350.77	6.75	-80.04
CC(CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565420	1	55	0.0	-74.71	422.99	7.94	-66.77
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C[NH+]1CCOCC1	REAL300012565421	1	54	0.0	-72.11	416.89	7.73	-64.38
COC1CN(C(=O)NCC(C)C[NH+]2CCOCC2)C(C)(C(=O)[O-])C1	REAL300012565422	1	53	0.0	-82.02	393.86	5.64	-76.38
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565423	1	56	0.0	-75.13	415.87	5.11	-70.02
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C[NH+]1CCOCC1	REAL300012565424	1	51	0.0	-74.70	373.90	5.33	-69.37
C=C(Cl)CC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565425	1	46	0.0	-74.89	373.15	5.28	-69.61
C=C(C)CC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565426	1	49	0.0	-75.06	378.30	5.39	-69.67
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C[NH+]1CCOCC1	REAL300012565427	1	50	0.0	-88.97	365.54	7.54	-81.43
CC(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565428	1	55	0.0	-75.28	412.68	7.48	-67.80
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565429	1	46	0.0	-75.22	356.44	6.29	-68.93
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565430	1	46	0.0	-78.97	350.69	5.90	-73.07
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCOCC2)C1	REAL300012565431	1	47	0.0	-78.03	357.45	6.13	-71.90
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565432	1	56	0.0	-77.00	415.94	5.09	-71.91
CC(C)C[C@H](NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565433	1	51	0.0	-75.35	383.40	5.55	-69.80
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C[NH+]1CCOCC1	REAL300012565434	1	53	0.0	-76.04	394.74	4.25	-71.79
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCOCC1	REAL300012565435	1	49	0.0	-76.56	380.86	6.29	-70.27
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565436	1	49	0.0	-74.85	376.32	5.77	-69.08
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565437	1	48	0.0	-73.85	389.68	4.40	-69.45
CC(C)CCCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565438	1	57	0.0	-74.16	425.94	7.05	-67.11
CC(CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565439	1	55	0.0	-79.15	432.62	7.68	-71.47
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565440	1	53	0.0	-80.16	400.90	4.60	-75.56
CSCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565441	1	46	0.0	-72.60	368.18	4.62	-67.98
COC[C@H](NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565442	1	46	0.0	-75.89	356.10	2.45	-73.44
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565443	1	52	0.0	-74.94	409.31	7.35	-67.59
CCC(C)CC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565444	1	54	0.0	-75.27	401.64	6.16	-69.11
C=CCCCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565445	1	52	0.0	-73.75	399.69	6.33	-67.42
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565446	1	52	0.0	-73.82	408.66	7.30	-66.52
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C[NH+]1CCOCC1	REAL300012565447	1	55	0.0	-80.47	420.75	8.47	-72.00
CC(CNC(=O)N1CCSCC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565448	1	47	0.0	-82.47	354.62	7.24	-75.23
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCOCC1	REAL300012565449	1	52	0.0	-76.67	388.67	7.06	-69.61
CCCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565450	1	48	0.0	-74.97	366.21	4.97	-70.00
CC(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C[NH+]1CCOCC1	REAL300012565451	1	48	0.0	-76.26	361.75	4.79	-71.47
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C[NH+]1CCOCC1	REAL300012565452	1	50	0.0	-87.12	364.99	7.69	-79.43
CCN(C(=O)NCC(C)C[NH+]1CCOCC1)C(C)(C)C(=O)[O-]	REAL300012565453	1	51	0.0	-71.36	368.68	6.99	-64.37
CCCN(C(=O)NCC(C)C[NH+]1CCOCC1)C(C)C(=O)[O-]	REAL300012565454	1	51	0.0	-67.04	374.05	6.86	-60.18
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C[NH+]1CCOCC1	REAL300012565455	1	45	0.0	-66.20	357.22	6.48	-59.72
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C[NH+]1CCOCC1	REAL300012565456	1	45	0.0	-66.20	357.22	6.48	-59.72
CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565457	1	48	0.0	-71.45	349.69	6.11	-65.34
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C[NH+]1CCOCC1	REAL300012565458	1	58	0.0	-61.84	430.99	4.50	-57.34
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565459	1	47	0.0	-84.07	357.02	2.32	-81.75
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])CN1CCOCC1	REAL300012565460	0	62	0.0	-62.89	458.92	4.72	-58.17
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565461	1	53	0.0	-58.73	399.25	9.05	-49.68
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565462	1	56	0.0	-64.48	407.77	9.24	-55.24
CCC[C@@H](NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565463	1	48	0.0	-75.28	365.97	5.04	-70.24
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565464	1	54	0.0	-74.76	400.68	7.44	-67.32
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCOCC1	REAL300012565465	1	49	0.0	-77.25	380.89	6.29	-70.96
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565466	1	54	0.0	-71.19	420.67	6.26	-64.93
C=CCCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565467	1	49	0.0	-74.54	379.02	5.53	-69.01
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565468	1	48	0.0	-78.48	389.42	4.28	-74.20
CC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565469	1	49	0.0	-71.46	409.18	6.03	-65.43
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565470	1	49	0.0	-90.99	373.97	3.68	-87.31
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565471	1	50	0.0	-76.18	371.73	5.37	-70.81
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565472	1	49	0.0	-80.68	360.57	6.67	-74.01
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C[NH+]1CCOCC1	REAL300012565473	1	48	0.0	-75.33	357.40	4.53	-70.80
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCOCC1	REAL300012565474	1	49	0.0	-75.85	380.25	6.31	-69.54
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565475	1	52	0.0	-78.60	390.33	5.61	-72.99
CCC[C@H](NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565476	1	48	0.0	-75.00	366.21	4.97	-70.03
CCN(C(=O)NCC(C)C[NH+]1CCOCC1)C(C)C(=O)[O-]	REAL300012565477	1	48	0.0	-69.84	355.73	6.77	-63.07
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)C[NH+]1CCOCC1	REAL300012565478	1	52	0.0	-62.06	378.99	7.59	-54.47
CC(CNC(=O)N(C)CC(C)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565479	1	48	0.0	-72.50	354.98	5.63	-66.87
CC[C@H](C)[C@H](NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565480	1	51	0.0	-75.88	375.95	5.17	-70.71
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565481	1	48	0.0	-71.52	356.19	6.34	-65.18
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C[NH+]1CCOCC1	REAL300012565482	1	50	0.0	-83.99	376.39	2.11	-81.88
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C[NH+]1CCOCC1	REAL300012565483	1	58	0.0	-75.87	424.46	5.43	-70.44
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)C[NH+]1CCOCC1	REAL300012565484	1	52	0.0	-79.44	380.78	5.95	-73.49
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C[NH+]1CCOCC1	REAL300012565485	1	55	0.0	-80.16	388.65	6.56	-73.60
COCCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565486	1	49	0.0	-75.06	378.38	3.28	-71.78
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565487	1	55	0.0	-69.50	412.13	9.20	-60.30
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C[NH+]1CCOCC1	REAL300012565488	1	52	0.0	-80.06	382.04	6.62	-73.44
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)C[NH+]1CCOCC1	REAL300012565489	1	59	0.0	-81.33	429.85	8.65	-72.68
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C[NH+]1CCOCC1	REAL300012565490	1	49	0.0	-77.50	366.17	5.55	-71.95
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C[NH+]1CCOCC1	REAL300012565491	1	58	0.0	-77.37	428.60	5.49	-71.88
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565492	1	47	0.0	-87.18	354.29	2.63	-84.55
CC(CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565493	1	57	0.0	-63.62	422.54	9.84	-53.78
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)C[NH+]1CCOCC1	REAL300012565494	1	50	0.0	-72.01	374.81	3.23	-68.78
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C[NH+]1CCOCC1	REAL300012565495	1	50	0.0	-85.11	365.18	7.26	-77.85
CC(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C[NH+]1CCOCC1	REAL300012565496	1	53	0.0	-84.26	412.55	6.42	-77.84
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C[NH+]1CCOCC1	REAL300012565497	1	48	0.0	-76.59	357.25	5.02	-71.57
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565498	1	52	0.0	-84.54	375.64	7.98	-76.56
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)C[NH+]1CCOCC1	REAL300012565499	1	55	0.0	-74.35	417.13	7.53	-66.82
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565500	1	56	0.0	-75.40	412.71	8.08	-67.32
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)C[NH+]1CCOCC1	REAL300012565501	1	49	0.0	-76.82	364.85	5.09	-71.73
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C[NH+]1CCOCC1	REAL300012565502	1	62	0.0	-77.22	437.90	6.98	-70.24
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C[NH+]1CCOCC1	REAL300012565503	1	55	0.0	-77.15	397.78	6.49	-70.66
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)C[NH+]1CCOCC1	REAL300012565504	1	49	0.0	-76.82	364.85	5.09	-71.73
CC(CNC(=O)N1CCC(C)C1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565505	1	49	0.0	-82.70	359.65	6.27	-76.43
CC(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565506	1	56	0.0	-78.68	418.92	5.39	-73.29
CC(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C[NH+]1CCOCC1	REAL300012565507	1	56	0.0	-57.33	390.55	7.95	-49.38
CC(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C[NH+]1CCOCC1	REAL300012565508	1	56	0.0	-79.62	394.75	5.23	-74.39
CC1=CC=CC2=C1CCN(C(=O)NCC(C)C[NH+]1CCOCC1)C2C(=O)[O-]	REAL300012565509	1	56	0.0	-90.30	408.83	9.75	-80.55
CC(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565510	1	50	0.0	-59.84	366.27	7.13	-52.71
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565511	1	56	0.0	-75.40	412.71	8.08	-67.32
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565512	1	52	0.0	-78.97	409.55	7.30	-71.67
COC1CC(NC(=O)NCC(C)C[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300012565513	1	50	0.0	-82.36	379.30	3.89	-78.47
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C[NH+]1CCOCC1	REAL300012565514	1	46	0.0	-78.20	354.27	4.95	-73.25
CO[C@H]1C[C@](NC(=O)NCC(C)C[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300012565515	1	50	0.0	-71.99	377.35	3.76	-68.23
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C[NH+]1CCOCC1	REAL300012565516	1	49	0.0	-78.57	384.84	5.96	-72.61
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565517	1	52	0.0	-82.40	376.37	7.82	-74.58
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565518	1	45	0.0	-69.55	360.64	4.90	-64.65
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565519	1	53	0.0	-71.51	398.19	4.25	-67.26
CC(CNC(=O)NC1(C(=O)[O-])COC1)C[NH+]1CCOCC1	REAL300012565520	1	44	0.0	-73.94	336.66	1.96	-71.98
CC(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565521	1	49	0.0	-76.28	395.02	6.27	-70.01
COCC(NC(=O)NCC(C)C[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012565522	1	56	0.0	-75.95	421.64	6.25	-69.70
CC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C[NH+]1CCOCC1	REAL300012565523	1	51	0.0	-75.01	363.78	5.20	-69.81
CC(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565524	1	47	0.0	-85.17	350.26	7.28	-77.89
CC(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565525	1	50	0.0	-83.73	366.71	6.87	-76.86
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565526	1	55	0.0	-56.01	408.85	10.01	-46.00
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565527	1	58	0.0	-75.62	425.10	7.42	-68.20
CC(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565528	1	55	0.0	-75.99	426.12	7.99	-68.00
CC(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565529	1	55	0.0	-76.40	425.88	8.06	-68.34
CC(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C[NH+]1CCOCC1	REAL300012565530	1	56	0.0	-78.45	407.00	6.85	-71.60
CC(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565531	1	58	0.0	-76.06	424.82	7.49	-68.57
CC(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565532	1	58	0.0	-75.16	424.83	7.49	-67.67
CC(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565533	1	56	0.0	-59.72	406.24	8.05	-51.67
CC(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565534	1	56	0.0	-83.96	402.42	7.82	-76.14
COC1=CC=C(CC(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012565535	1	56	0.0	-78.46	432.64	6.52	-71.94
C=CCSCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565536	1	50	0.0	-71.92	401.78	6.11	-65.81
CC(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565537	1	53	0.0	-76.10	423.73	7.68	-68.42
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565538	1	51	0.0	-70.35	370.89	7.67	-62.68
COC1(C(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])CCC1	REAL300012565539	1	53	0.0	-72.05	392.30	3.87	-68.18
CC(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C[NH+]1CCOCC1	REAL300012565540	1	55	0.0	-80.23	406.64	7.24	-72.99
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C[NH+]1CCOCC1	REAL300012565541	1	56	0.0	-79.13	412.15	8.34	-70.79
CC(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C[NH+]1CCOCC1	REAL300012565542	1	49	0.0	-74.86	379.80	5.81	-69.05
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C[NH+]1CCOCC1	REAL300012565544	1	61	0.0	-76.25	457.09	8.61	-67.64
CC(C)C1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012565545	1	58	0.0	-76.14	441.09	8.21	-67.93
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565546	1	46	0.0	-78.97	350.69	5.90	-73.07
CC(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565547	1	48	0.0	-59.22	358.84	6.98	-52.24
CC(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565548	1	52	0.0	-83.81	379.62	6.76	-77.05
CCOC1=CC=C(C(NC(=O)NCC(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012565549	1	56	0.0	-75.68	431.98	6.58	-69.10
CC(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565550	1	56	0.0	-84.17	400.00	8.78	-75.39
CC(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C[NH+]1CCOCC1	REAL300012565551	1	56	0.0	-76.21	421.32	8.17	-68.04
CC(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565552	1	56	0.0	-81.49	423.29	7.33	-74.16
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565553	1	52	0.0	-79.14	417.10	7.22	-71.92
CC(C)CCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565554	1	54	0.0	-74.99	405.28	6.27	-68.72
CC(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565555	1	53	0.0	-59.43	390.35	7.60	-51.83
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565556	1	53	0.0	-71.51	398.19	4.25	-67.26
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCOCC2)C1	REAL300012565557	1	50	0.0	-79.10	386.74	7.29	-71.81
CC(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C[NH+]1CCOCC1	REAL300012565558	1	53	0.0	-78.96	382.78	6.80	-72.16
CC(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C[NH+]1CCOCC1	REAL300012565559	1	50	0.0	-80.03	367.21	6.15	-73.88
CC(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C[NH+]1CCOCC1	REAL300012565560	1	53	0.0	-78.93	388.46	6.54	-72.39
CC(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565561	1	55	0.0	-75.11	412.22	9.25	-65.86
CC(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C[NH+]1CCOCC1	REAL300012565562	1	59	0.0	-59.34	419.43	8.58	-50.76
CC(CNC(=O)NC(C(=O)[O-])C1CCCC1)C[NH+]1CCOCC1	REAL300012565563	1	52	0.0	-76.20	381.19	5.70	-70.50
CO[C@H](C)[C@H](NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565564	1	49	0.0	-75.54	374.23	3.45	-72.09
CC(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)C[NH+]1CCOCC1	REAL300012565565	1	49	0.0	-81.83	367.72	5.95	-75.88
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C[NH+]1CCOCC1	REAL300012565566	1	52	0.0	-61.44	401.64	9.02	-52.42
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565567	1	52	0.0	-59.56	383.33	6.91	-52.65
CC(CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565568	1	53	0.0	-60.10	407.34	8.81	-51.29
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565569	1	49	0.0	-81.78	365.68	7.27	-74.51
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565570	1	46	0.0	-84.25	355.13	6.25	-78.00
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565571	1	52	0.0	-78.97	409.55	7.30	-71.67
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565572	1	49	0.0	-75.53	393.73	6.22	-69.31
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565573	1	49	0.0	-73.89	372.66	6.78	-67.11
CC(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C[NH+]1CCOCC1	REAL300012565574	1	53	0.0	-79.92	407.87	6.96	-72.96
CC(CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565575	1	57	0.0	-80.11	432.44	8.29	-71.82
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565576	1	49	0.0	-75.53	393.73	6.22	-69.31
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565577	1	53	0.0	-83.85	382.44	7.23	-76.62
COCCCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565578	1	52	0.0	-74.43	399.89	4.04	-70.39
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)C[NH+]1CCOCC1	REAL300012565579	1	51	0.0	-70.58	376.50	7.08	-63.50
CCOCC(NC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300012565580	1	49	0.0	-76.22	377.94	3.41	-72.81
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565581	1	54	0.0	-76.48	395.55	6.60	-69.88
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C[NH+]1CCOCC1	REAL300012565582	1	53	0.0	-77.99	395.96	4.77	-73.22
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C[NH+]1CCOCC1	REAL300012565583	1	53	0.0	-78.23	398.83	7.46	-70.77
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565584	1	50	0.0	-83.23	366.17	5.72	-77.51
CC(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565585	1	52	0.0	-76.62	385.80	7.09	-69.53
CC(CNC(=O)NC(CCC#N)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565586	1	46	0.0	-76.11	365.57	4.71	-71.40
CC(CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C[NH+]1CCOCC1	REAL300012565587	1	63	0.0	-78.15	435.65	8.31	-69.84
CC(CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565588	1	55	0.0	-77.51	428.22	7.64	-69.87
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C[NH+]1CCOCC1	REAL300012565589	1	49	0.0	-64.67	377.68	6.92	-57.75
CC(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C[NH+]1CCOCC1	REAL300012565590	1	60	0.0	-83.05	416.78	7.68	-75.37
CC(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C[NH+]1CCOCC1	REAL300012565591	1	51	0.0	-75.75	414.72	5.94	-69.81
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C[NH+]2CCOCC2)C1	REAL300012565592	1	53	0.0	-81.43	398.60	6.07	-75.36
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012565593	1	44	0.0	-70.34	347.02	4.49	-65.85
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012565594	1	40	0.0	-63.61	350.82	6.90	-56.71
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012565595	1	40	0.0	-63.50	360.71	7.35	-56.15
COC1CCN(C(=O)NCCN2C=C[NH+]=C2C)C(C(=O)[O-])C1	REAL300012565596	1	44	0.0	-76.28	344.01	6.68	-69.60
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012565597	1	44	0.0	-66.06	345.83	4.62	-61.44
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012565598	1	43	0.0	-65.55	364.58	7.57	-57.98
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012565599	1	45	0.0	-67.74	374.02	6.63	-61.11
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012565600	1	46	0.0	-68.84	380.90	8.11	-60.73
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012565601	1	46	0.0	-69.62	376.52	7.99	-61.63
COC1=CC=C(C(NC(=O)NCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1Cl	REAL300012565602	1	44	0.0	-68.27	383.40	6.73	-61.54
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=C(C)C(C)=CC=C1	REAL300012565603	1	46	0.0	-67.36	367.53	7.87	-59.49
COC1=CC=C(C(NC(=O)NCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1F	REAL300012565604	1	44	0.0	-69.23	373.82	6.15	-63.08
CC1=[NH+]C=CN1CCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012565605	1	46	0.0	-50.97	397.61	10.53	-40.44
CC1=[NH+]C=CN1CCNC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300012565606	1	43	0.0	-52.07	380.16	10.14	-41.93
CCCN(C(=O)NCCN1C=C[NH+]=C1C)C(COC)C(=O)[O-]	REAL300012565607	1	46	0.0	-66.73	359.69	6.99	-59.74
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012565608	1	40	0.0	-64.05	354.21	7.33	-56.72
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012565609	1	46	0.0	-71.97	337.09	7.60	-64.37
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012565610	1	43	0.0	-69.35	360.32	7.72	-61.63
CC1=[NH+]C=CN1CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012565611	1	43	0.0	-53.31	358.88	9.53	-43.78
CC1=[NH+]C=CN1CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012565612	1	40	0.0	-68.45	337.88	6.88	-61.57
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012565613	1	40	0.0	-68.83	338.10	6.79	-62.04
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012565614	1	43	0.0	-69.35	360.32	7.72	-61.63
CC1=[NH+]C=CN1CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012565615	1	44	0.0	-76.54	350.02	9.86	-66.68
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012565616	1	37	0.0	-65.58	329.11	5.91	-59.67
CC1=[NH+]C=CN1CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012565617	1	43	0.0	-51.11	375.60	10.05	-41.06
CC1=[NH+]C=CN1CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012565618	1	47	0.0	-68.20	388.61	7.82	-60.38
COC1=CC(CN(CC(=O)[O-])C(=O)NCCN2C=C[NH+]=C2C)=CC(OC)=C1	REAL300012565619	1	51	0.0	-57.12	417.82	8.15	-48.97
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012565620	1	40	0.0	-63.95	358.77	7.44	-56.51
CC1=[NH+]C=CN1CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012565621	1	43	0.0	-51.29	365.28	9.60	-41.69
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012565622	1	44	0.0	-70.02	356.06	7.98	-62.04
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012565623	1	40	0.0	-68.26	348.71	7.01	-61.25
CC1=[NH+]C=CN1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012565624	1	43	0.0	-68.20	345.90	7.57	-60.63
CCCCCCC(C)(NC(=O)NCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012565625	1	51	0.0	-67.70	392.08	8.18	-59.52
CC1=[NH+]C=CN1CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012565626	1	46	0.0	-66.13	368.87	9.67	-56.46
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012565627	1	40	0.0	-64.05	354.21	7.33	-56.72
CC1=[NH+]C=CN1CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012565628	1	46	0.0	-71.53	340.71	8.25	-63.28
CC1=[NH+]C=CN1CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012565629	1	46	0.0	-55.72	381.28	10.31	-45.41
CC1=[NH+]C=CN1CCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012565630	1	43	0.0	-69.45	347.91	9.13	-60.32
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012565631	1	44	0.0	-73.31	353.00	7.90	-65.41
CC1=[NH+]C=CN1CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012565632	1	47	0.0	-75.49	394.02	7.74	-67.75
CC1=[NH+]C=CN1CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012565633	1	46	0.0	-55.72	381.28	10.31	-45.41
CCC1CCC(NC(=O)NCCN2C=C[NH+]=C2C)(C(=O)[O-])CC1	REAL300012565634	1	49	0.0	-71.25	370.51	8.18	-63.07
CC1=[NH+]C=CN1CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012565635	1	44	0.0	-54.41	344.64	6.43	-47.98
CC1=[NH+]C=CN1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012565636	1	43	0.0	-66.22	377.81	8.55	-57.67
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012565637	1	40	0.0	-69.09	348.86	7.26	-61.83
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012565638	1	40	0.0	-72.88	342.27	6.95	-65.93
CC1=[NH+]C=CN1CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012565639	1	44	0.0	-56.93	353.02	9.22	-47.71
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012565640	1	43	0.0	-66.64	373.61	7.81	-58.83
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012565641	1	49	0.0	-72.33	403.91	9.85	-62.48
CC1=[NH+]C=CN1CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012565642	1	49	0.0	-68.42	382.27	7.91	-60.51
CC1=[NH+]C=CN1CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012565643	1	46	0.0	-51.50	370.84	10.11	-41.39
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012565644	1	43	0.0	-68.88	359.53	7.48	-61.40
CC1=[NH+]C=CN1CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012565645	1	36	0.0	-62.14	317.87	5.40	-56.74
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012565646	1	46	0.0	-69.94	383.85	9.14	-60.80
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012565647	1	41	0.0	-67.65	329.14	6.62	-61.03
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCN1C=C[NH+]=C1C	REAL300012565648	1	49	0.0	-53.77	378.40	10.00	-43.77
CC1=[NH+]C=CN1CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012565649	1	39	0.0	-53.17	339.51	7.67	-45.50
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012565650	1	46	0.0	-69.00	355.02	7.01	-61.99
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012565651	1	43	0.0	-65.11	393.85	8.76	-56.35
CC1=[NH+]C=CN1CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012565652	1	47	0.0	-66.57	371.25	7.49	-59.08
CC1=[NH+]C=CN1CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012565653	1	47	0.0	-74.47	376.17	10.86	-63.61
CC1=[NH+]C=CN1CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012565654	1	46	0.0	-46.83	368.22	10.57	-36.26
COC1=CC=C(C(NC(=O)NCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300012565655	1	44	0.0	-67.28	366.97	6.10	-61.18
CC1=[NH+]C=CN1CCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012565656	1	46	0.0	-66.29	365.21	6.88	-59.41
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012565657	1	43	0.0	-72.79	347.99	2.93	-69.86
CCCC1(C(=O)[O-])CCCN1C(=O)NCCN1C=C[NH+]=C1C	REAL300012565658	1	46	0.0	-76.27	352.55	9.15	-67.12
CC1=[NH+]C=CN1CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012565659	1	46	0.0	-48.35	370.41	10.58	-37.77
CCC(NC(=O)NCCN1C=C[NH+]=C1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012565660	1	46	0.0	-66.94	379.61	8.98	-57.96
CCC(NC(=O)NCCN1C=C[NH+]=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012565661	1	46	0.0	-68.93	362.76	8.43	-60.50
COC1CCCC(C(NC(=O)NCCN2C=C[NH+]=C2C)C(=O)[O-])C1	REAL300012565662	1	50	0.0	-73.61	388.14	5.93	-67.68
COC1(CC(NC(=O)NCCN2C=C[NH+]=C2C)C(=O)[O-])CCC1	REAL300012565663	1	47	0.0	-69.76	373.68	5.73	-64.03
CC1=[NH+]C=CN1CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012565664	1	44	0.0	-54.41	344.64	6.43	-47.98
CC1=[NH+]C=CN1CCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012565665	1	46	0.0	-54.34	353.59	8.80	-45.54
CC1=[NH+]C=CN1CCNC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1	REAL300012565666	1	46	0.0	-71.48	345.29	7.31	-64.17
COC1=CC=CC(C(NC(=O)NCCN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300012565667	1	44	0.0	-70.77	367.39	6.17	-64.60
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012565668	1	40	0.0	-68.24	352.21	7.32	-60.92
CC1=[NH+]C=CN1CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012565669	1	41	0.0	-59.26	335.44	7.41	-51.85
CC1=[NH+]C=CN1CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012565670	1	37	0.0	-68.39	315.86	6.38	-62.01
COC1=CC=CC([C@H](NC(=O)NCCN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300012565671	1	44	0.0	-70.36	367.61	6.09	-64.27
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCN2C=C[NH+]=C2C)C1	REAL300012565672	1	46	0.0	-75.03	366.91	8.54	-66.49
COC1=CC=CC(CC(NC(=O)NCCN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300012565673	1	47	0.0	-72.16	389.58	7.09	-65.07
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012565674	1	49	0.0	-72.45	359.37	7.79	-64.66
CC1=[NH+]C=CN1CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012565675	1	46	0.0	-66.94	380.22	8.45	-58.49
CC1=[NH+]C=CN1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012565676	1	45	0.0	-63.90	374.12	8.25	-55.65
COC1CN(C(=O)NCCN2C=C[NH+]=C2C)C(C)(C(=O)[O-])C1	REAL300012565677	1	44	0.0	-73.88	351.10	6.16	-67.72
CC1=[NH+]C=CN1CCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012565678	1	47	0.0	-67.42	373.34	5.54	-61.88
C=C(Cl)CC(NC(=O)NCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012565679	1	37	0.0	-63.39	330.17	5.90	-57.49
CC1=[NH+]C=CN1CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012565680	1	46	0.0	-67.56	369.91	8.00	-59.56
CC1=[NH+]C=CN1CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012565681	1	37	0.0	-66.66	314.47	6.49	-60.17
CC1=[NH+]C=CN1CCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012565682	1	47	0.0	-67.67	368.95	6.26	-61.41
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012565683	1	44	0.0	-70.34	347.02	4.49	-65.85
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012565684	1	40	0.0	-68.83	338.10	6.79	-62.04
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012565685	1	43	0.0	-66.72	376.58	7.87	-58.85
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012565686	1	39	0.0	-67.74	346.87	4.93	-62.81
CC1=[NH+]C=CN1CCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012565687	1	48	0.0	-67.27	383.77	7.62	-59.65
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012565688	1	46	0.0	-67.21	390.24	8.14	-59.07
CC1=[NH+]C=CN1CCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012565689	1	44	0.0	-71.88	358.13	5.11	-66.77
CC1=[NH+]C=CN1CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012565690	1	43	0.0	-67.23	366.78	7.80	-59.43
CC1=[NH+]C=CN1CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012565691	1	43	0.0	-65.57	365.89	7.82	-57.75
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012565692	1	46	0.0	-71.85	378.83	8.95	-62.90
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012565693	1	44	0.0	-70.92	381.42	6.77	-64.15
CC1=[NH+]C=CN1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012565694	1	43	0.0	-68.20	345.90	7.57	-60.63
CC1=[NH+]C=CN1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012565695	1	43	0.0	-68.51	367.20	8.20	-60.31
CC1=[NH+]C=CN1CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012565696	1	36	0.0	-62.91	314.50	7.05	-55.86
CC1=[NH+]C=CN1CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012565697	1	36	0.0	-62.91	314.50	7.05	-55.86
CC1=[NH+]C=CN1CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012565698	1	49	0.0	-55.63	381.84	4.62	-51.01
CC1=NC=CN1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012565699	0	53	0.0	-64.71	412.91	6.78	-57.93
CC1=[NH+]C=CN1CCNC(=O)N1C2=C(CC1C(=O)[O-])C(C)=CC=C2	REAL300012565700	1	44	0.0	-49.49	354.98	9.67	-39.82
CC1=[NH+]C=CN1CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012565701	1	47	0.0	-58.39	364.57	9.78	-48.61
CC1=[NH+]C=CN1CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012565702	1	45	0.0	-66.32	357.91	7.95	-58.37
CC1=[NH+]C=CN1CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012565703	1	40	0.0	-68.45	337.88	6.88	-61.57
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012565704	1	43	0.0	-64.55	376.62	7.88	-56.67
CC1=[NH+]C=CN1CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012565705	1	45	0.0	-68.74	378.23	6.75	-61.99
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012565706	1	39	0.0	-70.18	346.66	4.79	-65.39
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300012565707	1	43	0.0	-66.50	377.16	7.88	-58.62
CC1=[NH+]C=CN1CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012565708	1	40	0.0	-63.42	366.41	6.55	-56.87
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012565709	1	37	0.0	-64.14	350.16	6.56	-57.58
CC1=[NH+]C=CN1CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012565710	1	40	0.0	-82.85	331.20	4.20	-78.65
CC1=[NH+]C=CN1CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012565711	1	41	0.0	-68.12	328.96	5.88	-62.24
CC1=[NH+]C=CN1CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012565712	1	40	0.0	-67.38	337.47	6.82	-60.56
CC1=[NH+]C=CN1CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012565713	1	43	0.0	-66.97	351.91	6.16	-60.81
CC1=[NH+]C=CN1CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012565714	1	49	0.0	-68.21	385.22	6.00	-62.21
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012565715	1	46	0.0	-70.21	347.48	7.19	-63.02
CC1=[NH+]C=CN1CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012565716	1	46	0.0	-66.13	368.87	9.67	-56.46
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012565717	1	50	0.0	-72.28	386.78	9.12	-63.16
CC1=[NH+]C=CN1CCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012565718	1	49	0.0	-69.16	385.73	6.00	-63.16
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012565719	1	54	0.0	-71.76	439.35	9.14	-62.62
CC1=[NH+]C=CN1CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012565720	1	48	0.0	-56.88	380.29	10.36	-46.52
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012565721	1	44	0.0	-76.69	370.02	6.86	-69.83
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012565722	1	46	0.0	-68.13	367.52	7.78	-60.35
CC1=[NH+]C=CN1CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012565723	1	47	0.0	-67.09	374.63	7.85	-59.24
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012565724	1	53	0.0	-70.30	395.32	7.57	-62.73
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012565725	1	46	0.0	-69.00	355.02	7.01	-61.99
CC1=[NH+]C=CN1CCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012565726	1	47	0.0	-66.81	373.94	6.52	-60.29
CC1=[NH+]C=CN1CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012565727	1	47	0.0	-49.10	347.76	8.47	-40.63
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012565728	1	47	0.0	-71.70	351.99	5.74	-65.96
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012565729	1	46	0.0	-69.89	398.56	8.99	-60.90
CC1=[NH+]C=CN1CCNC(=O)N1CCC2=C(C=CC=C2C)C1C(=O)[O-]	REAL300012565730	1	47	0.0	-81.48	366.07	10.26	-71.22
CC1=[NH+]C=CN1CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012565731	1	47	0.0	-67.09	374.63	7.85	-59.24
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012565732	1	43	0.0	-70.37	366.54	7.87	-62.50
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012565733	1	37	0.0	-70.42	311.49	5.46	-64.96
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012565734	1	40	0.0	-61.21	342.45	6.23	-54.98
CC1=[NH+]C=CN1CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012565735	1	36	0.0	-62.14	317.87	5.40	-56.74
CC1=[NH+]C=CN1CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012565736	1	44	0.0	-67.72	356.84	4.79	-62.93
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012565737	1	40	0.0	-67.12	351.41	6.80	-60.32
COCC(NC(=O)NCCN1C=C[NH+]=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012565738	1	47	0.0	-67.28	378.85	6.76	-60.52
CC1=[NH+]C=CN1CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012565739	1	46	0.0	-48.35	370.41	10.58	-37.77
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012565740	1	43	0.0	-65.86	381.61	8.35	-57.51
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012565741	1	47	0.0	-70.91	399.57	7.32	-63.59
CC1=[NH+]C=CN1CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012565742	1	49	0.0	-68.42	382.27	7.91	-60.51
CC1=[NH+]C=CN1CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012565743	1	46	0.0	-67.82	383.35	8.52	-59.30
CC1=[NH+]C=CN1CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012565744	1	46	0.0	-68.79	383.35	8.52	-60.27
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012565745	1	47	0.0	-68.87	362.39	7.39	-61.48
CC1=[NH+]C=CN1CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012565746	1	49	0.0	-68.06	382.03	7.98	-60.08
CC1=[NH+]C=CN1CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012565747	1	49	0.0	-66.54	381.44	7.94	-58.60
CC1=[NH+]C=CN1CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012565748	1	47	0.0	-49.31	363.39	8.55	-40.76
CC1=[NH+]C=CN1CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012565749	1	47	0.0	-76.27	359.52	8.31	-67.96
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012565750	1	47	0.0	-71.55	401.84	7.35	-64.20
COC1=CC=C(CC(NC(=O)NCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300012565751	1	47	0.0	-70.17	389.87	7.04	-63.13
C=CCSCC(NC(=O)NCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012565752	1	41	0.0	-64.66	359.68	6.58	-58.08
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012565753	1	44	0.0	-67.04	380.89	8.20	-58.84
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012565754	1	47	0.0	-82.47	400.00	7.73	-74.74
COC1=CC=C2NC=C(CC(NC(=O)NCCN3C=C[NH+]=C3C)C(=O)[O-])C2=C1	REAL300012565755	1	51	0.0	-80.83	423.58	7.03	-73.80
COC1(C(NC(=O)NCCN2C=C[NH+]=C2C)C(=O)[O-])CCC1	REAL300012565756	1	44	0.0	-63.89	348.88	4.36	-59.53
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012565757	1	46	0.0	-68.91	363.08	7.72	-61.19
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012565758	1	47	0.0	-71.30	369.42	8.86	-62.44
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012565759	1	40	0.0	-73.88	334.90	6.27	-67.61
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012565761	1	52	0.0	-68.52	414.28	9.11	-59.41
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012565762	1	49	0.0	-68.46	398.32	8.72	-59.74
CCOC1=CC=C(C(NC(=O)NCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300012565763	1	47	0.0	-68.46	389.45	7.02	-61.44
CC1=[NH+]C=CN1CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012565764	1	47	0.0	-75.23	357.23	9.31	-65.92
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012565765	1	47	0.0	-69.51	380.10	8.67	-60.84
CC1=[NH+]C=CN1CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012565766	1	47	0.0	-73.51	380.53	7.84	-65.67
CC1=[NH+]C=CN1CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012565767	1	43	0.0	-70.83	374.34	7.73	-63.10
CC1=[NH+]C=CN1CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012565768	1	44	0.0	-49.46	348.41	8.06	-41.40
CC1=[NH+]C=CN1CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012565769	1	44	0.0	-67.72	356.84	4.79	-62.93
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012565770	1	43	0.0	-69.76	381.67	8.35	-61.41
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCN2C=C[NH+]=C2C)C1	REAL300012565771	1	41	0.0	-70.57	343.90	7.79	-62.78
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012565772	1	44	0.0	-70.84	340.02	7.32	-63.52
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012565773	1	44	0.0	-70.93	345.68	7.06	-63.87
CC1=[NH+]C=CN1CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012565774	1	46	0.0	-67.52	369.44	9.76	-57.76
CC1=[NH+]C=CN1CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012565775	1	50	0.0	-50.58	376.63	9.10	-41.48
CC1=[NH+]C=CN1CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012565776	1	43	0.0	-53.31	358.88	9.53	-43.78
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012565777	1	50	0.0	-68.85	412.05	10.28	-58.57
CC1=[NH+]C=CN1CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012565778	1	44	0.0	-51.98	365.18	9.22	-42.76
CC1=[NH+]C=CN1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012565779	1	46	0.0	-64.65	384.64	8.58	-56.07
CC1=[NH+]C=CN1CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012565780	1	40	0.0	-73.25	322.88	7.74	-65.51
CC1=[NH+]C=CN1CCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012565781	1	37	0.0	-75.93	312.37	6.77	-69.16
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012565782	1	43	0.0	-70.37	366.54	7.87	-62.50
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012565783	1	40	0.0	-67.77	351.27	6.65	-61.12
CC1=[NH+]C=CN1CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012565784	1	40	0.0	-65.68	329.89	7.30	-58.38
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012565785	1	44	0.0	-71.83	365.13	7.47	-64.36
CC1=[NH+]C=CN1CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012565786	1	48	0.0	-71.13	388.92	9.11	-62.02
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012565787	1	40	0.0	-67.77	351.27	6.65	-61.12
CC1=[NH+]C=CN1CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012565788	1	44	0.0	-76.08	339.61	7.99	-68.09
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012565789	1	44	0.0	-71.08	352.44	4.87	-66.21
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012565790	1	40	0.0	-67.52	359.42	7.41	-60.11
CC1=[NH+]C=CN1CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012565791	1	44	0.0	-70.02	356.06	7.98	-62.04
CC1=[NH+]C=CN1CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012565792	1	43	0.0	-69.42	343.50	7.61	-61.81
CC1=[NH+]C=CN1CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012565793	1	54	0.0	-71.29	394.49	8.83	-62.46
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012565794	1	46	0.0	-72.23	390.28	7.97	-64.26
CC1=[NH+]C=CN1CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012565795	1	40	0.0	-54.95	340.54	7.68	-47.27
CC1=[NH+]C=CN1CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012565796	1	51	0.0	-74.59	374.20	8.16	-66.43
CC1=[NH+]C=CN1CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012565797	1	42	0.0	-64.25	371.87	6.42	-57.83
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCN2C=C[NH+]=C2C)C1	REAL300012565798	1	44	0.0	-73.14	356.55	6.29	-66.85
CC1=CC(C)=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)=C1	REAL300012565957	0	59	0.0	-59.33	442.00	8.88	-50.45
C=CCOCC(NC(=O)NCC[N@@H+](C)CCCC)C(=O)[O-]	REAL300012566086	0	48	0.0	-73.54	382.18	5.13	-68.41
C=CCOCC(NC(=O)NCC[N@H+](C)CCCC)C(=O)[O-]	REAL300012566086	1	48	0.0	-73.46	382.18	5.12	-68.34
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012566087	0	51	0.0	-75.06	380.64	5.11	-69.95
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012566087	1	51	0.0	-74.32	380.07	5.19	-69.13
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012566088	0	47	0.0	-67.26	384.41	7.53	-59.73
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012566088	1	47	0.0	-67.22	384.44	7.54	-59.68
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012566089	0	47	0.0	-67.13	394.30	7.98	-59.15
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012566089	1	47	0.0	-66.61	394.10	8.06	-58.55
CCCC[N@H+](C)CCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012566090	0	51	0.0	-80.09	375.74	7.36	-72.73
CCCC[N@@H+](C)CCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012566090	1	51	0.0	-80.11	375.74	7.36	-72.75
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012566091	0	51	0.0	-69.71	379.45	5.23	-64.48
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012566091	1	51	0.0	-70.61	380.03	5.16	-65.45
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012566092	0	50	0.0	-69.21	398.21	8.20	-61.01
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012566092	1	50	0.0	-69.15	398.20	8.19	-60.96
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012566093	0	52	0.0	-71.75	407.40	7.33	-64.42
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012566093	1	52	0.0	-72.23	407.64	7.26	-64.97
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012566094	0	53	0.0	-73.19	414.57	8.75	-64.44
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012566094	1	53	0.0	-73.27	414.52	8.73	-64.54
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012566095	0	53	0.0	-72.56	409.52	8.64	-63.92
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012566095	1	53	0.0	-72.77	409.90	8.70	-64.07
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012566096	0	51	0.0	-72.39	417.24	7.26	-65.13
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012566096	1	51	0.0	-72.40	417.24	7.25	-65.15
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012566097	0	53	0.0	-72.59	401.73	8.44	-64.15
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012566097	1	53	0.0	-71.70	400.77	8.43	-63.27
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012566098	0	51	0.0	-72.91	407.20	6.85	-66.06
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012566098	1	51	0.0	-73.12	407.44	6.77	-66.35
CCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012566099	0	53	0.0	-53.81	425.10	10.87	-42.94
CCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012566099	1	53	0.0	-54.84	431.24	11.15	-43.69
CCCC[N@H+](C)CCNC(=O)N(CCC)C(COC)C(=O)[O-]	REAL300012566100	0	53	0.0	-70.85	393.27	7.61	-63.24
CCCC[N@@H+](C)CCNC(=O)N(CCC)C(COC)C(=O)[O-]	REAL300012566100	1	53	0.0	-70.66	393.29	7.62	-63.04
CCCC[N@H+](C)CCNC(=O)N(CCC)C(CC)C(=O)[O-]	REAL300012566101	0	52	0.0	-69.38	381.77	8.87	-60.51
CCCC[N@@H+](C)CCNC(=O)N(CCC)C(CC)C(=O)[O-]	REAL300012566101	1	52	0.0	-62.41	381.23	8.87	-53.54
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012566102	0	47	0.0	-68.55	387.82	7.95	-60.60
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012566102	1	47	0.0	-69.15	388.43	7.93	-61.22
CCCC[N@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012566103	0	45	0.0	-77.44	345.23	8.26	-69.18
CCCC[N@@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012566103	1	45	0.0	-77.95	345.47	8.38	-69.57
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012566104	0	53	0.0	-75.04	370.74	8.23	-66.81
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012566104	1	53	0.0	-74.86	370.73	8.22	-66.64
CCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012566105	0	50	0.0	-72.50	393.75	8.41	-64.09
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012566105	1	50	0.0	-72.36	393.76	8.41	-63.95
CCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012566106	0	50	0.0	-56.68	392.49	10.15	-46.53
CCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012566106	1	50	0.0	-56.86	392.49	10.15	-46.71
CCCC[N@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012566107	0	47	0.0	-72.06	371.50	7.49	-64.57
CCCC[N@@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012566107	1	47	0.0	-72.40	371.74	7.42	-64.98
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012566108	0	47	0.0	-72.53	371.71	7.42	-65.11
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012566108	1	47	0.0	-72.06	371.47	7.49	-64.57
CCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012566109	0	50	0.0	-72.50	393.75	8.41	-64.09
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012566109	1	50	0.0	-72.36	393.76	8.41	-63.95
CCCC[N@H+](C)CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012566110	0	51	0.0	-80.55	383.68	10.50	-70.05
CCCC[N@@H+](C)CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012566110	1	51	0.0	-80.53	383.64	10.47	-70.06
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012566111	0	44	0.0	-70.67	363.33	6.48	-64.19
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012566111	1	44	0.0	-70.06	362.72	6.52	-63.54
CCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012566112	0	50	0.0	-54.71	409.22	10.67	-44.04
CCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012566112	1	50	0.0	-54.83	409.23	10.67	-44.16
CCCC[N@H+](C)CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012566113	0	54	0.0	-73.46	423.04	8.41	-65.05
CCCC[N@@H+](C)CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012566113	1	54	0.0	-72.69	422.23	8.43	-64.26
CCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012566114	0	58	0.0	-60.18	445.42	8.46	-51.72
CCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012566114	1	58	0.0	-59.18	451.43	8.76	-50.42
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012566115	0	47	0.0	-68.46	392.39	8.05	-60.41
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012566115	1	47	0.0	-69.07	393.00	8.03	-61.04
CCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012566116	0	50	0.0	-54.92	398.90	10.22	-44.70
CCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012566116	1	50	0.0	-55.12	398.91	10.22	-44.90
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012566117	0	51	0.0	-73.12	389.68	8.59	-64.53
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012566117	1	51	0.0	-72.94	389.69	8.59	-64.35
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012566118	0	47	0.0	-72.75	382.57	7.57	-65.18
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012566118	1	47	0.0	-73.01	382.52	7.55	-65.46
CCCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012566119	0	50	0.0	-72.31	379.53	8.20	-64.11
CCCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012566119	1	50	0.0	-72.35	379.52	8.20	-64.15
CCCCCCC(C)(NC(=O)NCC[N@H+](C)CCCC)C(=O)[O-]	REAL300012566120	0	58	0.0	-70.49	425.70	8.79	-61.70
CCCCCCC(C)(NC(=O)NCC[N@@H+](C)CCCC)C(=O)[O-]	REAL300012566120	1	58	0.0	-70.64	425.70	8.79	-61.85
CCCC[N@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012566121	0	53	0.0	-71.21	402.56	10.27	-60.94
CCCC[N@@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012566121	1	53	0.0	-70.98	402.56	10.27	-60.71
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012566122	0	47	0.0	-68.55	387.82	7.95	-60.60
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012566122	1	47	0.0	-69.15	388.43	7.93	-61.22
CCCC[N@H+](C)CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012566123	0	53	0.0	-76.02	374.33	8.86	-67.16
CCCC[N@@H+](C)CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012566123	1	53	0.0	-76.17	374.33	8.87	-67.30
CCCC[N@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012566124	0	53	0.0	-57.88	414.90	10.93	-46.95
CCCC[N@@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012566124	1	53	0.0	-57.98	414.90	10.93	-47.05
CCCC[N@H+](C)CCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012566125	0	50	0.0	-73.57	381.53	9.76	-63.81
CCCC[N@@H+](C)CCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012566125	1	50	0.0	-73.42	381.53	9.75	-63.67
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012566126	0	51	0.0	-75.86	386.75	8.54	-67.32
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012566126	1	51	0.0	-76.04	386.75	8.53	-67.51
CCCC[N@H+](C)CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012566127	0	54	0.0	-79.04	427.65	8.37	-70.67
CCCC[N@@H+](C)CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012566127	1	54	0.0	-78.95	427.65	8.36	-70.59
CCCC[N@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012566128	0	53	0.0	-57.88	414.90	10.93	-46.95
CCCC[N@@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012566128	1	53	0.0	-57.98	414.90	10.93	-47.05
CCCCCC(NC(=O)NCC[N@H+](C)CCCC)C(=O)[O-]	REAL300012566129	0	52	0.0	-71.18	400.06	7.67	-63.51
CCCCCC(NC(=O)NCC[N@@H+](C)CCCC)C(=O)[O-]	REAL300012566129	1	52	0.0	-71.31	400.06	7.67	-63.64
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300012566130	0	56	0.0	-74.29	404.13	8.80	-65.49
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300012566130	1	56	0.0	-69.91	397.80	8.09	-61.82
CCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012566131	0	51	0.0	-56.50	378.27	7.05	-49.45
CCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012566131	1	51	0.0	-56.39	378.26	7.04	-49.35
CCCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012566132	0	50	0.0	-66.76	411.44	9.17	-57.59
CCCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012566132	1	50	0.0	-69.53	411.43	9.16	-60.37
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012566133	0	47	0.0	-74.18	383.69	7.84	-66.34
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012566133	1	47	0.0	-73.67	382.48	7.89	-65.78
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012566134	0	47	0.0	-77.43	375.89	7.57	-69.86
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012566134	1	47	0.0	-77.53	375.89	7.56	-69.97
CCCC[N@H+](C)CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012566135	0	51	0.0	-59.55	386.65	9.85	-49.70
CCCC[N@@H+](C)CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012566135	1	51	0.0	-59.45	386.64	9.85	-49.60
CCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012566136	0	50	0.0	-76.03	409.41	8.66	-67.37
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012566136	1	50	0.0	-70.10	407.23	8.43	-61.67
CCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012566137	0	56	0.0	-75.45	437.37	10.40	-65.05
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012566137	1	56	0.0	-75.62	437.37	10.42	-65.20
CCCC[N@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012566138	0	56	0.0	-71.56	415.65	8.60	-62.96
CCCC[N@@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012566138	1	56	0.0	-71.44	415.65	8.61	-62.83
CCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012566139	0	53	0.0	-55.06	404.46	10.73	-44.33
CCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012566139	1	53	0.0	-55.41	400.13	10.23	-45.18
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012566140	0	50	0.0	-72.10	392.91	8.18	-63.92
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012566140	1	50	0.0	-72.50	393.15	8.10	-64.40
CCCC[N@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012566141	0	43	0.0	-65.93	351.50	6.03	-59.90
CCCC[N@@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012566141	1	43	0.0	-65.32	351.26	6.11	-59.21
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012566142	0	53	0.0	-73.92	417.73	9.68	-64.24
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012566142	1	53	0.0	-73.97	417.68	9.68	-64.29
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012566143	0	48	0.0	-70.80	362.78	7.24	-63.56
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012566143	1	48	0.0	-70.70	362.78	7.24	-63.46
CCCC[N@H+](C)CCNC(=O)N(C)C(COCC)C(=O)[O-]	REAL300012566144	0	50	0.0	-69.88	378.56	6.74	-63.14
CCCC[N@@H+](C)CCNC(=O)N(C)C(COCC)C(=O)[O-]	REAL300012566144	1	50	0.0	-69.51	377.95	6.65	-62.86
CCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C(CC)C1=CC=CC=C1	REAL300012566145	0	56	0.0	-53.00	412.66	10.69	-42.31
CCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C(CC)C1=CC=CC=C1	REAL300012566145	1	56	0.0	-56.04	412.03	10.60	-45.44
CCCC[N@H+](C)CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012566146	0	46	0.0	-57.20	373.13	8.28	-48.92
CCCC[N@@H+](C)CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012566146	1	46	0.0	-57.28	373.13	8.28	-49.00
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012566147	0	53	0.0	-72.53	388.63	7.63	-64.90
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012566147	1	53	0.0	-72.41	388.64	7.62	-64.79
CCCC[N@H+](C)CCNC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012566148	0	50	0.0	-68.84	427.46	9.38	-59.46
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012566148	1	50	0.0	-68.72	427.46	9.36	-59.36
CCCC[N@H+](C)CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012566149	0	54	0.0	-70.59	405.21	8.17	-62.42
CCCC[N@@H+](C)CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012566149	1	54	0.0	-70.58	404.87	8.11	-62.47
CCCC[N@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012566150	0	54	0.0	-77.67	410.83	11.33	-66.34
CCCC[N@@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012566150	1	54	0.0	-77.72	410.82	11.33	-66.39
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012566151	0	48	0.0	-73.88	356.49	5.06	-68.82
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012566151	1	48	0.0	-73.82	356.51	5.05	-68.77
CCCC[N@H+](C)CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012566152	0	53	0.0	-75.65	401.69	11.04	-64.61
CCCC[N@@H+](C)CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012566152	1	53	0.0	-75.85	401.69	11.04	-64.81
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012566153	0	51	0.0	-72.35	401.19	6.68	-65.67
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012566153	1	51	0.0	-72.40	401.19	6.70	-65.70
CCCC[N@H+](C)CCNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012566154	0	50	0.0	-76.11	374.38	5.91	-70.20
CCCC[N@@H+](C)CCNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012566154	1	50	0.0	-75.93	374.39	5.91	-70.02
CCCC[N@H+](C)CCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012566155	0	53	0.0	-70.15	398.22	7.40	-62.75
CCCC[N@@H+](C)CCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012566155	1	53	0.0	-69.78	398.83	7.49	-62.29
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012566156	0	50	0.0	-76.23	381.63	3.54	-72.69
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012566156	1	50	0.0	-76.10	381.63	3.54	-72.56
CCCC[N@H+](C)CCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012566157	0	52	0.0	-68.58	384.90	8.82	-59.76
CCCC[N@@H+](C)CCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012566157	1	52	0.0	-68.51	384.90	8.82	-59.69
CCCC[N@H+](C)CCNC(=O)N1CCCC1(CCC)C(=O)[O-]	REAL300012566158	0	53	0.0	-79.38	386.08	9.77	-69.61
CCCC[N@@H+](C)CCNC(=O)N1CCCC1(CCC)C(=O)[O-]	REAL300012566158	1	53	0.0	-79.34	386.17	9.76	-69.58
CCCC[N@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012566159	0	53	0.0	-48.69	404.03	11.20	-37.49
CCCC[N@@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012566159	1	53	0.0	-48.77	404.11	11.02	-37.75
CCCC[N@H+](C)CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012566160	0	53	0.0	-70.12	413.23	9.60	-60.52
CCCC[N@@H+](C)CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012566160	1	53	0.0	-70.11	413.09	9.57	-60.54
CCCC[N@H+](C)CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300012566161	0	53	0.0	-72.97	396.38	9.05	-63.92
CCCC[N@@H+](C)CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300012566161	1	53	0.0	-73.11	396.38	9.05	-64.06
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012566162	0	57	0.0	-77.32	421.74	6.54	-70.78
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012566162	1	57	0.0	-74.64	424.76	6.83	-67.81
CCCC[N@H+](C)CCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012566163	0	54	0.0	-73.37	407.30	6.34	-67.03
CCCC[N@@H+](C)CCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012566163	1	54	0.0	-73.27	407.31	6.34	-66.93
CCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012566164	0	51	0.0	-56.50	378.27	7.05	-49.45
CCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012566164	1	51	0.0	-56.39	378.26	7.04	-49.35
CCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012566165	0	53	0.0	-56.36	387.21	9.41	-46.95
CCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012566165	1	53	0.0	-56.29	387.21	9.42	-46.87
CCCC[N@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012566166	0	53	0.0	-74.33	378.88	7.94	-66.39
CCCC[N@@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012566166	1	53	0.0	-74.32	378.88	7.93	-66.39
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012566167	0	51	0.0	-74.47	400.98	6.78	-67.69
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012566167	1	51	0.0	-74.80	401.25	6.70	-68.10
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012566168	0	47	0.0	-73.27	386.86	7.90	-65.37
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012566168	1	47	0.0	-72.77	385.83	7.94	-64.83
CCCC[N@H+](C)CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012566169	0	48	0.0	-61.89	368.48	7.90	-53.99
CCCC[N@@H+](C)CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012566169	1	48	0.0	-62.00	368.48	7.89	-54.11
CCCC[N@H+](C)CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012566170	0	44	0.0	-71.49	348.08	7.11	-64.38
CCCC[N@@H+](C)CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012566170	1	44	0.0	-72.29	349.45	7.00	-65.29
CCCC[N@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012566171	0	51	0.0	-74.83	401.20	6.70	-68.13
CCCC[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012566171	1	51	0.0	-74.24	400.61	6.74	-67.50
CCCC[N@H+](C)CCNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012566172	0	53	0.0	-78.89	400.36	9.11	-69.78
CCCC[N@@H+](C)CCNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012566172	1	53	0.0	-78.87	400.35	9.12	-69.75
CCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012566173	0	54	0.0	-75.77	423.20	7.70	-68.07
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012566173	1	54	0.0	-76.23	423.44	7.67	-68.56
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012566174	0	56	0.0	-75.41	393.00	8.41	-67.00
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012566174	1	56	0.0	-75.28	393.00	8.42	-66.86
CCCC[N@H+](C)CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012566175	0	53	0.0	-69.85	413.84	9.05	-60.80
CCCC[N@@H+](C)CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012566175	1	53	0.0	-69.84	413.87	9.07	-60.77
CCCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012566176	0	52	0.0	-76.39	407.75	8.87	-67.52
CCCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012566176	1	52	0.0	-68.00	407.74	8.86	-59.14
CCCC[N@H+](C)CCNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012566177	0	51	0.0	-77.23	384.72	6.78	-70.45
CCCC[N@@H+](C)CCNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012566177	1	51	0.0	-77.09	384.72	6.78	-70.31
CCCC[N@H+](C)CCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012566178	0	54	0.0	-71.16	406.96	6.18	-64.98
CCCC[N@@H+](C)CCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012566178	1	54	0.0	-70.51	406.72	6.24	-64.27
C=C(Cl)CC(NC(=O)NCC[N@@H+](C)CCCC)C(=O)[O-]	REAL300012566179	0	44	0.0	-66.91	363.80	6.52	-60.39
C=C(Cl)CC(NC(=O)NCC[N@H+](C)CCCC)C(=O)[O-]	REAL300012566179	1	44	0.0	-66.76	363.79	6.52	-60.24
CCCC[N@H+](C)CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012566180	0	53	0.0	-70.56	403.53	8.60	-61.96
CCCC[N@@H+](C)CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012566180	1	53	0.0	-70.50	403.55	8.61	-61.89
CCCC[N@H+](C)CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012566181	0	44	0.0	-71.02	347.28	7.42	-63.60
CCCC[N@@H+](C)CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012566181	1	44	0.0	-71.51	348.09	7.10	-64.41
CCCC[N@H+](C)CCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012566182	0	54	0.0	-72.54	406.79	6.21	-66.33
CCCC[N@@H+](C)CCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012566182	1	54	0.0	-72.63	406.79	6.23	-66.40
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012566183	0	51	0.0	-75.06	380.64	5.11	-69.95
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012566183	1	51	0.0	-74.32	380.07	5.19	-69.13
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012566184	0	47	0.0	-72.53	371.71	7.42	-65.11
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012566184	1	47	0.0	-72.06	371.47	7.49	-64.57
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012566185	0	50	0.0	-71.33	410.20	8.47	-62.86
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012566185	1	50	0.0	-71.70	410.45	8.40	-63.30
CCCC[N@H+](C)CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012566186	0	46	0.0	-71.55	380.49	5.54	-66.01
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012566186	1	46	0.0	-72.02	380.74	5.48	-66.54
CCCC[N@H+](C)CCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012566187	0	55	0.0	-71.32	417.63	8.19	-63.13
CCCC[N@@H+](C)CCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012566187	1	55	0.0	-70.73	417.39	8.23	-62.50
CCCC[N@H+](C)CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012566188	0	53	0.0	-70.14	423.62	8.83	-61.31
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012566188	1	53	0.0	-70.52	423.86	8.75	-61.77
CCCC[N@H+](C)CCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012566189	0	51	0.0	-75.54	391.76	5.73	-69.81
CCCC[N@@H+](C)CCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012566189	1	51	0.0	-75.50	391.76	5.73	-69.77
CCCC[N@H+](C)CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012566190	0	50	0.0	-71.07	400.40	8.42	-62.65
CCCC[N@@H+](C)CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012566190	1	50	0.0	-70.53	400.14	8.48	-62.05
CCCC[N@H+](C)CCNC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300012566191	0	52	0.0	-71.47	392.38	7.36	-64.11
CCCC[N@@H+](C)CCNC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300012566191	1	52	0.0	-71.87	392.63	7.29	-64.58
CCCC[N@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012566192	0	50	0.0	-70.42	400.11	8.47	-61.95
CCCC[N@@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012566192	1	50	0.0	-70.54	400.11	8.48	-62.06
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012566193	0	53	0.0	-75.40	411.52	9.59	-65.81
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012566193	1	53	0.0	-75.39	411.51	9.58	-65.81
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012566194	0	51	0.0	-76.30	415.49	7.30	-69.00
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012566194	1	51	0.0	-75.54	415.04	7.38	-68.16
CCCC[N@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012566195	0	45	0.0	-77.44	345.23	8.26	-69.18
CCCC[N@@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012566195	1	45	0.0	-77.95	345.47	8.38	-69.57
CCCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012566196	0	50	0.0	-72.31	379.53	8.20	-64.11
CCCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012566196	1	50	0.0	-72.35	379.52	8.20	-64.15
CCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012566197	0	43	0.0	-67.07	348.11	7.66	-59.41
CCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012566197	1	43	0.0	-67.00	348.11	7.66	-59.34
CCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012566198	0	43	0.0	-67.07	348.11	7.66	-59.41
CCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012566198	1	43	0.0	-67.00	348.11	7.66	-59.34
CCCC[N@H+](C)CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012566199	0	56	0.0	-57.70	421.83	5.62	-52.08
CCCC[N@@H+](C)CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012566199	1	56	0.0	-57.85	421.84	5.63	-52.22
CCCC[N@H+](C)CCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012566200	1	60	0.0	-57.48	447.03	5.51	-51.97
CCCC[N@@H+](C)CCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012566200	1	60	0.0	-57.52	447.03	5.51	-52.01
CCCC[N@H+](C)CCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012566201	0	51	0.0	-51.89	388.59	10.28	-41.61
CCCC[N@@H+](C)CCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012566201	1	51	0.0	-51.92	388.60	10.27	-41.65
CCCC[N@H+](C)CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012566202	0	54	0.0	-62.76	398.19	10.39	-52.37
CCCC[N@@H+](C)CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012566202	1	54	0.0	-62.86	398.19	10.40	-52.46
CCCC[N@H+](C)CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012566203	0	52	0.0	-71.64	391.53	8.58	-63.06
CCCC[N@@H+](C)CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012566203	1	52	0.0	-72.17	391.41	8.54	-63.63
CCCC[N@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012566204	0	47	0.0	-72.06	371.50	7.49	-64.57
CCCC[N@@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012566204	1	47	0.0	-72.40	371.74	7.42	-64.98
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012566205	0	50	0.0	-68.66	410.48	8.43	-60.23
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012566205	1	50	0.0	-68.23	410.24	8.50	-59.73
CCCC[N@H+](C)CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012566206	0	52	0.0	-73.53	411.85	7.35	-66.18
CCCC[N@@H+](C)CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012566206	1	52	0.0	-73.08	411.61	7.42	-65.66
CCCC[N@H+](C)CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012566207	0	46	0.0	-74.01	380.24	5.41	-68.60
CCCC[N@@H+](C)CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012566207	1	46	0.0	-74.38	380.52	5.35	-69.03
CCCC[N@H+](C)CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012566208	0	47	0.0	-68.15	400.03	7.17	-60.98
CCCC[N@@H+](C)CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012566208	1	47	0.0	-67.60	399.21	7.18	-60.42
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012566209	0	44	0.0	-69.07	384.02	7.11	-61.96
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012566209	1	44	0.0	-68.78	383.77	7.17	-61.61
CCCC[N@H+](C)CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012566210	0	47	0.0	-87.52	364.82	4.81	-82.71
CCCC[N@@H+](C)CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012566210	1	47	0.0	-87.63	364.82	4.81	-82.82
CCCC[N@H+](C)CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012566211	0	48	0.0	-71.99	362.36	6.53	-65.46
CCCC[N@@H+](C)CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012566211	1	48	0.0	-72.00	362.36	6.53	-65.47
CCCC[N@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012566212	0	47	0.0	-71.76	371.09	7.44	-64.32
CCCC[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012566212	1	47	0.0	-72.54	371.70	7.40	-65.14
CCCC[N@H+](C)CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012566213	0	50	0.0	-73.81	381.18	6.74	-67.07
CCCC[N@@H+](C)CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012566213	1	50	0.0	-70.93	385.53	6.78	-64.15
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012566214	0	48	0.0	-79.85	367.23	3.24	-76.61
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012566214	1	48	0.0	-79.99	367.23	3.24	-76.75
CCCC[N@H+](C)CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012566215	0	56	0.0	-73.41	419.56	6.60	-66.81
CCCC[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012566215	1	56	0.0	-73.72	419.01	6.59	-67.13
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012566216	0	53	0.0	-74.36	381.10	7.80	-66.56
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012566216	1	53	0.0	-74.52	381.10	7.80	-66.72
CCCC[N@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012566217	0	53	0.0	-71.21	402.56	10.27	-60.94
CCCC[N@@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012566217	1	53	0.0	-70.98	402.56	10.27	-60.71
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012566218	0	57	0.0	-74.82	420.40	9.73	-65.09
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012566218	1	57	0.0	-76.44	420.51	9.79	-66.65
CCCC[N@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012566219	0	56	0.0	-73.27	420.12	6.57	-66.70
CCCC[N@@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012566219	1	56	0.0	-73.13	420.11	6.57	-66.56
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012566220	0	61	0.0	-75.81	472.97	9.75	-66.06
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012566220	1	61	0.0	-75.86	472.97	9.75	-66.11
CCCC[N@H+](C)CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012566221	0	55	0.0	-60.63	413.91	10.97	-49.66
CCCC[N@@H+](C)CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012566221	1	55	0.0	-60.76	413.91	10.97	-49.79
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012566222	0	48	0.0	-71.67	362.34	4.38	-67.29
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012566222	1	48	0.0	-71.57	362.34	4.38	-67.19
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012566223	0	51	0.0	-79.63	403.40	7.55	-72.08
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012566223	1	51	0.0	-79.54	403.40	7.55	-71.99
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012566224	0	53	0.0	-70.68	408.88	8.68	-62.00
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012566224	1	53	0.0	-70.70	407.98	8.66	-62.04
CCCC[N@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012566225	0	54	0.0	-70.83	407.42	8.49	-62.34
CCCC[N@@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012566225	1	54	0.0	-71.69	408.25	8.48	-63.21
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012566226	0	60	0.0	-73.46	428.94	8.19	-65.27
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012566226	1	60	0.0	-73.24	428.95	8.20	-65.04
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012566227	0	53	0.0	-72.53	388.63	7.63	-64.90
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012566227	1	53	0.0	-72.41	388.64	7.62	-64.79
CCCC[N@H+](C)CCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012566228	0	54	0.0	-70.81	407.80	7.06	-63.75
CCCC[N@@H+](C)CCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012566228	1	54	0.0	-70.64	407.81	7.06	-63.58
CCCC[N@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012566229	0	54	0.0	-49.54	381.41	9.08	-40.46
CCCC[N@@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012566229	1	54	0.0	-49.46	381.41	9.09	-40.37
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012566230	0	54	0.0	-74.96	385.61	6.37	-68.59
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012566230	1	54	0.0	-74.72	385.61	6.37	-68.35
CCCC[N@H+](C)CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012566231	0	53	0.0	-73.05	424.84	9.90	-63.15
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012566231	1	53	0.0	-72.84	431.91	9.69	-63.15
CCCC[N@H+](C)CCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012566232	0	54	0.0	-85.35	399.68	10.88	-74.47
CCCC[N@@H+](C)CCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012566232	1	54	0.0	-61.83	404.07	10.38	-51.45
CCCC[N@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012566233	0	54	0.0	-70.83	407.42	8.49	-62.34
CCCC[N@@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012566233	1	54	0.0	-71.69	408.25	8.48	-63.21
CCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012566234	0	50	0.0	-69.08	400.35	8.42	-60.66
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012566234	1	50	0.0	-74.07	400.16	8.47	-65.60
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012566235	0	48	0.0	-71.23	368.30	4.92	-66.31
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012566235	1	48	0.0	-77.73	370.05	4.99	-72.74
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012566236	0	44	0.0	-73.80	345.12	6.08	-67.72
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012566236	1	44	0.0	-73.79	345.12	6.09	-67.70
CCCC[N@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012566237	0	48	0.0	-72.25	368.65	5.32	-66.93
CCCC[N@@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012566237	1	48	0.0	-71.08	368.15	4.92	-66.16
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012566238	0	47	0.0	-69.68	376.80	6.83	-62.85
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012566238	1	47	0.0	-65.78	376.06	6.83	-58.95
CCCC[N@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012566239	0	43	0.0	-65.93	351.50	6.03	-59.90
CCCC[N@@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012566239	1	43	0.0	-65.32	351.26	6.11	-59.21
CCCC[N@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012566240	0	51	0.0	-71.01	390.21	5.47	-65.54
CCCC[N@@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012566240	1	51	0.0	-71.41	390.45	5.39	-66.02
CCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012566241	0	47	0.0	-71.71	385.02	7.42	-64.29
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012566241	1	47	0.0	-72.63	385.87	7.41	-65.22
CCCC[N@H+](C)CCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012566242	0	54	0.0	-71.18	412.48	7.37	-63.81
CCCC[N@@H+](C)CCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012566242	1	54	0.0	-71.33	412.48	7.37	-63.96
CCCC[N@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012566243	0	53	0.0	-48.69	404.03	11.20	-37.49
CCCC[N@@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012566243	1	53	0.0	-48.77	404.11	11.02	-37.75
CCCC[N@H+](C)CCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012566244	0	54	0.0	-75.09	432.95	7.99	-67.10
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012566244	1	54	0.0	-75.65	433.19	7.94	-67.71
CCCC[N@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012566245	0	56	0.0	-71.56	415.65	8.60	-62.96
CCCC[N@@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012566245	1	56	0.0	-71.44	415.65	8.61	-62.83
CCCC[N@H+](C)CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012566246	0	53	0.0	-71.76	416.15	9.16	-62.60
CCCC[N@@H+](C)CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012566246	1	53	0.0	-72.59	416.97	9.13	-63.46
CCCC[N@H+](C)CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012566247	0	53	0.0	-72.53	416.97	9.12	-63.41
CCCC[N@@H+](C)CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012566247	1	53	0.0	-72.45	416.97	9.13	-63.32
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012566248	0	54	0.0	-72.22	396.01	8.00	-64.22
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012566248	1	54	0.0	-73.68	397.85	7.98	-65.70
CCCC[N@H+](C)CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012566249	0	56	0.0	-71.58	415.67	8.62	-62.96
CCCC[N@@H+](C)CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012566249	1	56	0.0	-71.89	415.94	8.53	-63.36
CCCC[N@H+](C)CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012566250	0	56	0.0	-71.46	415.69	8.61	-62.85
CCCC[N@@H+](C)CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012566250	1	56	0.0	-72.10	415.94	8.54	-63.56
CCCC[N@H+](C)CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012566251	0	54	0.0	-51.32	396.17	9.23	-42.09
CCCC[N@@H+](C)CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012566251	1	54	0.0	-51.87	397.01	9.16	-42.71
CCCC[N@H+](C)CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012566252	0	54	0.0	-79.14	391.87	9.00	-70.14
CCCC[N@@H+](C)CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012566252	1	54	0.0	-79.83	395.55	9.02	-70.81
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012566253	0	54	0.0	-76.00	435.45	7.96	-68.04
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012566253	1	54	0.0	-76.00	435.46	7.97	-68.03
CCCC[N@H+](C)CCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012566254	0	54	0.0	-71.81	423.20	7.72	-64.09
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012566254	1	54	0.0	-71.86	423.20	7.71	-64.15
C=CCSCC(NC(=O)NCC[N@@H+](C)CCCC)C(=O)[O-]	REAL300012566255	0	48	0.0	-68.78	393.54	7.14	-61.64
C=CCSCC(NC(=O)NCC[N@H+](C)CCCC)C(=O)[O-]	REAL300012566255	1	48	0.0	-68.78	393.54	7.14	-61.64
CCCC[N@H+](C)CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012566256	0	51	0.0	-71.89	414.53	8.82	-63.07
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012566256	1	51	0.0	-72.47	414.81	8.73	-63.74
CCCC[N@H+](C)CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012566257	0	54	0.0	-86.16	433.62	8.35	-77.81
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012566257	1	54	0.0	-85.39	433.39	8.40	-76.99
CCCC[N@H+](C)CCNC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-]	REAL300012566258	0	58	0.0	-84.42	457.19	7.64	-76.78
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-]	REAL300012566258	1	58	0.0	-73.38	452.34	7.77	-65.61
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012566259	0	51	0.0	-68.07	383.19	5.00	-63.07
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012566259	1	51	0.0	-68.43	382.51	4.97	-63.46
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012566260	0	53	0.0	-71.82	396.71	8.36	-63.46
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012566260	1	53	0.0	-71.63	396.70	8.35	-63.28
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012566261	0	54	0.0	-74.33	402.98	9.49	-64.84
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012566261	1	54	0.0	-74.13	403.04	9.48	-64.65
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012566262	0	47	0.0	-76.81	368.93	6.85	-69.96
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012566262	1	47	0.0	-78.44	368.52	6.88	-71.56
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012566264	0	59	0.0	-72.09	447.90	9.72	-62.37
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012566264	1	59	0.0	-72.09	447.90	9.73	-62.36
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012566265	0	56	0.0	-72.16	431.94	9.33	-62.83
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012566265	1	56	0.0	-71.65	431.70	9.42	-62.23
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC)C=C1	REAL300012566266	0	54	0.0	-72.15	423.07	7.64	-64.51
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC)C=C1	REAL300012566266	1	54	0.0	-71.80	422.83	7.71	-64.09
CCCC[N@H+](C)CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012566267	0	54	0.0	-78.77	390.85	9.92	-68.85
CCCC[N@@H+](C)CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012566267	1	54	0.0	-78.79	390.85	9.91	-68.88
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012566268	0	54	0.0	-71.64	412.15	9.30	-62.34
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012566268	1	54	0.0	-71.47	412.17	9.32	-62.15
CCCC[N@H+](C)CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012566269	0	54	0.0	-76.76	414.15	8.47	-68.29
CCCC[N@@H+](C)CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012566269	1	54	0.0	-76.65	414.16	8.46	-68.19
CCCC[N@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012566270	0	50	0.0	-75.03	407.72	8.40	-66.63
CCCC[N@@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012566270	1	50	0.0	-75.12	407.72	8.40	-66.72
CCCC[N@H+](C)CCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012566271	0	52	0.0	-71.02	395.89	7.46	-63.56
CCCC[N@@H+](C)CCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012566271	1	52	0.0	-71.41	396.13	7.41	-64.00
CCCC[N@H+](C)CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012566272	0	51	0.0	-51.90	382.13	8.68	-43.22
CCCC[N@@H+](C)CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012566272	1	51	0.0	-52.01	382.03	8.70	-43.31
CCCC[N@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012566273	0	51	0.0	-71.01	390.21	5.47	-65.54
CCCC[N@@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012566273	1	51	0.0	-71.41	390.45	5.39	-66.02
CCCC[N@H+](C)CCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012566274	0	48	0.0	-75.07	377.59	8.44	-66.63
CCCC[N@@H+](C)CCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012566274	1	48	0.0	-75.10	377.60	8.45	-66.65
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012566275	0	51	0.0	-73.79	373.64	7.94	-65.85
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012566275	1	51	0.0	-76.34	370.92	8.21	-68.13
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012566276	0	51	0.0	-73.93	379.21	7.68	-66.25
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012566276	1	51	0.0	-73.76	379.33	7.67	-66.09
CCCC[N@H+](C)CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012566277	0	53	0.0	-71.86	404.50	10.40	-61.46
CCCC[N@@H+](C)CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012566277	1	53	0.0	-72.18	404.52	10.31	-61.87
CCCC[N@H+](C)CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012566278	0	57	0.0	-51.42	410.26	9.72	-41.70
CCCC[N@@H+](C)CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012566278	1	57	0.0	-51.39	410.26	9.73	-41.66
CCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012566279	0	50	0.0	-56.68	392.49	10.15	-46.53
CCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012566279	1	50	0.0	-56.86	392.49	10.15	-46.71
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012566280	0	57	0.0	-72.87	445.92	10.80	-62.07
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012566280	1	57	0.0	-72.39	445.67	10.90	-61.49
CCCC[N@H+](C)CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012566281	0	51	0.0	-58.16	398.65	9.82	-48.34
CCCC[N@@H+](C)CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012566281	1	51	0.0	-58.16	398.65	9.83	-48.33
CCCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012566282	0	53	0.0	-68.94	418.27	9.19	-59.75
CCCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012566282	1	53	0.0	-68.99	418.27	9.19	-59.80
CCCC[N@H+](C)CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012566283	0	47	0.0	-77.38	356.50	8.35	-69.03
CCCC[N@@H+](C)CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012566283	1	47	0.0	-77.47	356.53	8.41	-69.06
CCCC[N@H+](C)CCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012566284	0	44	0.0	-80.80	345.99	7.40	-73.40
CCCC[N@@H+](C)CCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012566284	1	44	0.0	-80.96	346.00	7.40	-73.56
CCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012566285	0	50	0.0	-69.08	400.35	8.42	-60.66
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012566285	1	50	0.0	-74.07	400.16	8.47	-65.60
CCCC[N@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012566286	0	47	0.0	-70.99	384.67	7.33	-63.66
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012566286	1	47	0.0	-71.93	384.81	7.27	-64.66
CCCC[N@H+](C)CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012566287	0	47	0.0	-70.43	363.51	7.92	-62.51
CCCC[N@@H+](C)CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012566287	1	47	0.0	-70.55	363.51	7.92	-62.63
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012566288	0	51	0.0	-75.19	398.75	8.07	-67.12
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012566288	1	51	0.0	-75.11	398.75	8.08	-67.03
CCCC[N@H+](C)CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012566289	0	55	0.0	-75.89	422.57	9.72	-66.17
CCCC[N@@H+](C)CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012566289	1	55	0.0	-76.03	422.57	9.72	-66.31
CCCC[N@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012566290	0	47	0.0	-70.99	384.67	7.33	-63.66
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012566290	1	47	0.0	-71.93	384.81	7.27	-64.66
CCCC[N@H+](C)CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012566291	0	51	0.0	-79.68	372.11	8.32	-71.36
CCCC[N@@H+](C)CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012566291	1	51	0.0	-79.65	372.76	8.63	-71.02
CCCC[N@H+](C)CCNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012566292	0	50	0.0	-70.81	390.74	5.18	-65.63
CCCC[N@@H+](C)CCNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012566292	1	50	0.0	-70.20	390.50	5.24	-64.96
CCCC[N@H+](C)CCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012566293	0	52	0.0	-71.09	385.54	7.75	-63.34
CCCC[N@@H+](C)CCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012566293	1	52	0.0	-72.08	386.42	7.72	-64.36
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012566294	0	51	0.0	-73.40	384.30	5.50	-67.90
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012566294	1	51	0.0	-74.52	386.06	5.48	-69.04
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012566295	0	47	0.0	-70.88	392.80	8.11	-62.77
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012566295	1	47	0.0	-70.94	392.80	8.12	-62.82
CCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012566296	0	51	0.0	-73.12	389.68	8.59	-64.53
CCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012566296	1	51	0.0	-72.94	389.69	8.59	-64.35
CCCC[N@H+](C)CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012566297	0	48	0.0	-78.74	357.04	6.82	-71.92
CCCC[N@@H+](C)CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012566297	1	48	0.0	-76.85	356.34	6.49	-70.36
CCCC[N@H+](C)CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012566298	0	50	0.0	-71.81	377.31	8.24	-63.57
CCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012566298	1	50	0.0	-71.64	377.32	8.24	-63.40
CCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012566299	0	61	0.0	-75.06	427.44	9.50	-65.56
CCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012566299	1	61	0.0	-75.03	427.44	9.52	-65.51
CCCC[N@H+](C)CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012566300	0	53	0.0	-75.94	423.90	8.59	-67.35
CCCC[N@@H+](C)CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012566300	1	53	0.0	-75.79	423.90	8.58	-67.21
CCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012566301	0	47	0.0	-58.71	368.54	8.04	-50.67
CCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012566301	1	47	0.0	-57.79	374.15	8.29	-49.50
CCCC[N@H+](C)CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012566302	0	58	0.0	-78.02	407.82	8.78	-69.24
CCCC[N@@H+](C)CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012566302	1	58	0.0	-78.10	407.58	8.83	-69.27
CCCC[N@H+](C)CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012566303	0	49	0.0	-68.41	405.73	6.98	-61.43
CCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012566303	1	49	0.0	-67.75	405.49	7.04	-60.71
CCCC[N@H+](C)CCNC(=O)N1C[C@H](OCC)C[C@H]1C(=O)[O-]	REAL300012566304	0	51	0.0	-77.05	389.46	7.22	-69.83
CCCC[N@@H+](C)CCNC(=O)N1C[C@H](OCC)C[C@H]1C(=O)[O-]	REAL300012566304	1	51	0.0	-77.61	390.16	6.93	-70.68
CC1=CC=CN=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012566408	0	52	0.0	-63.66	403.85	6.11	-57.55
COC1=NC(C)=CC(C)=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012566681	0	59	0.0	-63.84	456.51	5.31	-58.53
CC1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012566939	0	55	0.0	-61.53	423.92	6.78	-54.75
CC(C)C1=NC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CS1	REAL300012567233	0	58	0.0	-63.97	460.49	7.19	-56.78
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567399	0	60	0.0	-68.78	436.10	11.04	-57.74
C=CCOCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567400	0	59	0.0	-68.27	444.40	9.49	-58.78
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567401	0	58	0.0	-54.72	429.31	10.85	-43.87
CC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C(C(=O)[O-])C1	REAL300012567402	0	61	0.0	-69.79	421.64	13.05	-56.74
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567403	0	57	0.0	-54.21	416.65	12.28	-41.93
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1CCC1	REAL300012567404	0	61	0.0	-56.26	427.57	12.60	-43.66
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(CC)C(=O)[O-]	REAL300012567405	0	63	0.0	-67.01	443.53	12.32	-54.69
CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567406	0	57	0.0	-55.69	414.81	10.28	-45.41
O=C([O-])C1CCCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567407	0	58	0.0	-70.95	408.01	12.97	-57.98
O=C([O-])C1CSCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567408	0	56	0.0	-70.37	408.09	12.78	-57.59
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCCCC1	REAL300012567409	0	61	0.0	-56.84	427.58	11.94	-44.90
O=C([O-])C1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567410	0	55	0.0	-72.23	396.63	11.69	-60.54
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCCC1	REAL300012567411	0	58	0.0	-59.75	412.65	10.78	-48.97
O=C([O-])CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567412	0	48	0.0	-51.63	355.16	7.85	-43.78
O=C([O-])[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1=CC=CC=C1	REAL300012567413	0	58	0.0	-55.44	434.04	11.86	-43.58
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1=CC=CC=C1	REAL300012567414	0	58	0.0	-56.32	433.71	11.86	-44.46
CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567415	0	54	0.0	-55.53	397.77	9.70	-45.83
CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567416	0	57	0.0	-55.69	414.81	10.28	-45.41
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567417	0	51	0.0	-54.70	373.34	10.55	-44.15
CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567418	0	51	0.0	-50.22	375.95	8.69	-41.53
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567419	0	60	0.0	-56.15	428.42	10.69	-45.46
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567420	0	51	0.0	-54.70	373.34	10.55	-44.15
O=C([O-])C1CCCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567421	0	58	0.0	-70.95	408.01	12.97	-57.98
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567422	0	60	0.0	-67.75	423.42	10.84	-56.91
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567423	0	57	0.0	-63.83	406.48	10.89	-52.94
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1CC1	REAL300012567424	0	55	0.0	-63.62	402.22	11.04	-52.58
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567425	0	55	0.0	-53.74	407.96	12.09	-41.65
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567426	0	60	0.0	-54.38	431.31	12.80	-41.58
CC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567427	0	54	0.0	-51.04	388.53	9.08	-41.96
CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)(C(=O)[O-])C1CC1	REAL300012567428	0	58	0.0	-54.84	411.71	10.85	-43.99
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCCCC1	REAL300012567429	0	61	0.0	-56.84	427.58	11.94	-44.90
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567430	0	57	0.0	-63.83	406.48	10.89	-52.94
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567431	0	57	0.0	-54.21	416.65	12.28	-41.93
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567432	0	54	0.0	-54.55	395.15	11.54	-43.01
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567433	0	60	0.0	-66.15	427.66	10.66	-55.49
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCCC1	REAL300012567434	0	58	0.0	-59.75	412.65	10.78	-48.97
CCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567435	0	57	0.0	-67.46	401.92	10.08	-57.38
C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567436	0	51	0.0	-54.44	375.79	8.71	-45.73
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567437	0	54	0.0	-54.55	395.15	11.54	-43.01
C[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567438	0	51	0.0	-49.28	376.25	8.70	-40.58
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CC1	REAL300012567439	0	52	0.0	-61.78	382.41	9.93	-51.85
O=C([O-])C1COCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567440	0	56	0.0	-69.21	398.75	10.28	-58.93
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1CC1	REAL300012567441	0	55	0.0	-54.78	404.45	10.22	-44.56
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567442	0	58	0.0	-54.14	426.53	10.71	-43.43
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567443	0	55	0.0	-60.11	397.38	11.39	-48.72
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567444	0	58	0.0	-69.36	407.41	12.68	-56.68
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567445	0	54	0.0	-51.44	388.31	10.70	-40.74
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567446	0	55	0.0	-74.03	396.37	11.58	-62.45
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCC1	REAL300012567447	0	55	0.0	-59.06	398.87	10.53	-48.53
C=CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567448	0	55	0.0	-66.11	410.25	10.16	-55.95
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567449	0	58	0.0	-73.71	413.70	12.24	-61.47
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567450	0	61	0.0	-73.24	418.20	13.21	-60.03
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1CC1	REAL300012567451	0	55	0.0	-54.78	404.45	10.22	-44.56
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567452	0	54	0.0	-52.70	387.74	10.67	-42.03
CCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567453	0	60	0.0	-55.34	440.77	11.25	-44.09
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567454	0	58	0.0	-74.86	413.66	12.16	-62.70
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1CCCC1	REAL300012567455	0	61	0.0	-53.66	431.65	13.18	-40.48
COCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567456	0	55	0.0	-68.25	409.15	7.93	-60.32
CCCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567457	0	63	0.0	-54.48	462.03	12.09	-42.39
CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1(C(=O)[O-])CCCC1	REAL300012567458	0	61	0.0	-76.24	422.74	12.51	-63.73
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1CC1	REAL300012567459	0	58	0.0	-64.30	415.05	11.23	-53.07
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1CC1	REAL300012567460	0	61	0.0	-47.97	435.06	12.29	-35.68
COCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567461	0	58	0.0	-71.78	420.16	9.37	-62.41
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567462	0	61	0.0	-53.82	439.60	11.03	-42.79
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567463	0	60	0.0	-54.38	431.31	12.80	-41.58
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1CC1	REAL300012567464	0	55	0.0	-63.62	402.22	11.04	-52.58
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCOC1	REAL300012567465	0	56	0.0	-65.85	403.43	8.20	-57.65
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCOCC1	REAL300012567466	0	59	0.0	-59.17	418.58	9.39	-49.78
C=CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567467	0	58	0.0	-54.38	431.84	11.09	-43.29
O=C([O-])C(CF)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567468	0	51	0.0	-51.02	379.39	8.72	-42.30
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567469	0	54	0.0	-52.70	387.74	10.67	-42.03
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567470	0	60	0.0	-69.65	418.58	10.96	-58.69
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567471	0	60	0.0	-53.01	427.75	13.10	-39.91
CCC(COC)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567472	0	61	0.0	-74.30	436.83	10.26	-64.04
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567473	0	58	0.0	-52.78	429.74	11.28	-41.50
COCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567474	0	58	0.0	-55.44	431.44	8.76	-46.68
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567475	0	63	0.0	-64.80	445.44	13.21	-51.59
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567476	0	54	0.0	-50.25	408.15	10.29	-39.96
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(C)C(=O)[O-]	REAL300012567477	0	60	0.0	-52.42	426.26	12.21	-40.21
O=C([O-])C(CCF)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567478	0	54	0.0	-54.48	404.36	9.84	-44.64
CC(CCF)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567479	0	57	0.0	-64.89	408.51	10.22	-54.67
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567480	0	55	0.0	-54.71	410.28	11.56	-43.15
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567481	0	54	0.0	-61.11	388.90	10.84	-50.27
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567482	0	56	0.0	-75.66	403.28	11.85	-63.81
CC(C)(C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567483	0	60	0.0	-68.16	428.87	10.83	-57.33
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567484	0	55	0.0	-68.28	427.07	10.77	-57.51
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567485	0	58	0.0	-67.39	430.80	10.92	-56.47
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567486	0	59	0.0	-73.70	416.15	13.00	-60.70
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567487	0	55	0.0	-64.11	409.62	11.87	-52.24
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567488	0	55	0.0	-71.28	403.89	11.48	-59.80
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300012567489	0	56	0.0	-72.07	410.84	11.76	-60.31
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567490	0	60	0.0	-68.78	436.10	11.04	-57.74
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1=CC=CC=C1	REAL300012567491	0	58	0.0	-56.32	433.71	11.86	-44.46
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567492	0	58	0.0	-52.78	429.74	11.28	-41.50
CSCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567493	0	55	0.0	-62.82	421.25	10.13	-52.69
COC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567494	0	55	0.0	-67.52	409.93	7.95	-59.57
CC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567495	0	54	0.0	-65.99	397.62	9.85	-56.14
CCC(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567496	0	63	0.0	-55.86	454.33	11.63	-44.23
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567497	0	61	0.0	-55.45	453.58	11.81	-43.64
O=C([O-])C1CSCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567498	0	56	0.0	-70.37	408.09	12.78	-57.59
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567499	0	55	0.0	-60.11	397.38	11.39	-48.72
CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567500	0	57	0.0	-54.64	419.03	10.53	-44.11
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567501	0	57	0.0	-54.03	415.11	10.30	-43.73
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567502	0	59	0.0	-76.56	417.63	13.17	-63.39
CCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(C)(C)C(=O)[O-]	REAL300012567503	0	60	0.0	-58.37	421.67	12.45	-45.92
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(C)C(=O)[O-]	REAL300012567504	0	60	0.0	-52.42	426.26	12.21	-40.21
CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(C)(C)C(=O)[O-]	REAL300012567505	0	57	0.0	-71.46	402.69	11.52	-59.94
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567506	0	55	0.0	-74.03	396.37	11.58	-62.45
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567507	0	56	0.0	-61.58	408.66	7.98	-53.60
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567508	0	57	0.0	-53.65	419.34	10.54	-43.11
O=C([O-])[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1=CC=CC=C1	REAL300012567509	0	58	0.0	-55.44	434.04	11.86	-43.58
C=CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567510	0	58	0.0	-54.38	431.84	11.09	-43.29
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567511	0	58	0.0	-59.08	413.75	12.24	-46.84
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567512	0	57	0.0	-66.32	411.95	10.25	-56.07
O=C([O-])[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1=CC=CC=C1	REAL300012567513	0	58	0.0	-64.69	433.98	11.86	-52.83
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567514	0	54	0.0	-61.11	388.90	10.84	-50.27
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567515	0	57	0.0	-67.47	419.27	10.48	-56.99
CCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(C)C(=O)[O-]	REAL300012567516	0	57	0.0	-52.66	404.42	11.45	-41.21
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1CCCC1	REAL300012567517	0	61	0.0	-53.66	431.65	13.18	-40.48
CC(CN(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567518	0	57	0.0	-65.03	408.45	11.21	-53.82
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567519	0	60	0.0	-66.15	427.66	10.66	-55.49
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567520	0	57	0.0	-63.19	407.40	11.76	-51.43
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CC(CO)C1	REAL300012567521	0	59	0.0	-59.77	431.15	7.79	-51.98
CC1CCC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)(C(=O)[O-])C1	REAL300012567522	0	61	0.0	-57.64	434.14	11.46	-46.18
COCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567523	0	58	0.0	-55.44	431.44	8.76	-46.68
CC1(C)CC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)(C(=O)[O-])C1	REAL300012567524	0	61	0.0	-59.56	435.30	12.23	-47.33
CC1(C(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C(=O)[O-])CC1	REAL300012567525	0	58	0.0	-54.24	419.52	11.06	-43.18
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567526	0	56	0.0	-66.43	407.23	8.10	-58.33
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1CCOC1	REAL300012567527	0	59	0.0	-64.50	432.40	8.92	-55.58
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567528	0	59	0.0	-78.87	418.19	12.79	-66.08
O=C([O-])C12COC(CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C2	REAL300012567529	0	57	0.0	-69.12	411.21	10.46	-58.66
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300012567530	0	61	0.0	-70.43	428.94	13.58	-56.85
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1CCC1	REAL300012567531	0	58	0.0	-53.04	422.73	10.83	-42.21
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1CCC1	REAL300012567532	0	58	0.0	-53.04	422.73	10.83	-42.21
CC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1C(=O)[O-]	REAL300012567533	0	58	0.0	-60.52	412.83	11.83	-48.69
C=CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567534	0	55	0.0	-66.11	410.25	10.16	-55.95
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567535	0	59	0.0	-40.59	417.09	11.61	-28.98
COC1CC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)(C(=O)[O-])C1	REAL300012567536	0	59	0.0	-61.92	432.35	9.46	-52.46
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CC(F)(F)C1	REAL300012567537	0	55	0.0	-58.42	407.62	10.46	-47.96
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)(C(=O)[O-])C1	REAL300012567538	0	59	0.0	-56.77	431.15	9.74	-47.03
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567539	0	61	0.0	-62.50	429.19	13.23	-49.27
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)COC1	REAL300012567540	0	53	0.0	-54.25	389.82	7.55	-46.70
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567541	0	60	0.0	-56.32	418.64	10.77	-45.55
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567542	0	56	0.0	-70.52	403.33	12.89	-57.63
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567543	0	59	0.0	-61.01	419.84	12.49	-48.52
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567544	0	60	0.0	-52.72	421.93	12.52	-40.20
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567545	0	55	0.0	-71.28	403.89	11.48	-59.80
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567546	0	57	0.0	-51.42	412.18	12.46	-38.96
CC1(C)CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1C(=O)[O-]	REAL300012567547	0	61	0.0	-61.19	432.68	12.36	-48.83
CC(C)CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567548	0	63	0.0	-54.70	458.09	11.83	-42.87
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567549	0	62	0.0	-51.03	444.33	13.15	-37.88
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCCC2CC21	REAL300012567550	0	62	0.0	-56.27	436.02	12.37	-43.90
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCC2CC21	REAL300012567551	0	59	0.0	-73.94	420.35	11.73	-62.21
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CC2(CCC2)C1	REAL300012567552	0	62	0.0	-57.34	441.50	12.13	-45.21
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1CCCC1	REAL300012567553	0	61	0.0	-53.47	439.65	11.50	-41.97
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567554	0	58	0.0	-67.66	427.87	9.02	-58.64
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567555	0	58	0.0	-70.58	411.85	10.93	-59.65
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300012567556	0	61	0.0	-40.28	434.45	11.38	-28.90
O=C([O-])C1N(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCC1(F)F	REAL300012567557	0	55	0.0	-76.27	408.17	11.86	-64.41
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567558	0	62	0.0	-65.09	437.94	12.63	-52.46
COCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567559	0	61	0.0	-54.54	452.70	9.60	-44.94
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567560	0	60	0.0	-64.45	429.14	12.48	-51.97
CCOCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567561	0	58	0.0	-68.86	431.49	8.92	-59.94
CC(C)(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567562	0	63	0.0	-68.82	444.01	12.00	-56.82
C[C@H]1OCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)[C@@H]1C(=O)[O-]	REAL300012567563	0	59	0.0	-68.63	418.25	10.93	-57.70
N#CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300012567564	0	55	0.0	-56.17	418.38	10.27	-45.90
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567565	0	58	0.0	-53.66	435.81	12.67	-40.99
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300012567566	0	54	0.0	-51.44	388.31	10.70	-40.74
CCC1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012568082	0	59	0.0	-63.40	455.58	9.62	-53.78
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2=CC=CN=C2)CC1	REAL300012568673	0	53	0.0	-63.06	410.75	5.01	-58.05
CC(C)C[C@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568843	1	58	0.0	-77.64	441.15	4.51	-73.13
C=CCOCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568844	1	57	0.0	-80.32	449.31	2.94	-77.38
C=CC(C)C(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568845	1	56	0.0	-76.79	434.22	4.29	-72.50
CC1CCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C(C(=O)[O-])C1	REAL300012568846	1	59	0.0	-88.97	426.45	6.48	-82.49
CCCN(CC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568847	1	55	0.0	-65.82	422.12	5.71	-60.11
CC(C(=O)[O-])N(C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1CCC1	REAL300012568848	1	59	0.0	-62.91	430.56	6.97	-55.94
CCCN(C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(CC)C(=O)[O-]	REAL300012568849	1	61	0.0	-67.09	447.69	6.56	-60.53
CC(C)C(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568850	1	55	0.0	-78.31	414.80	3.47	-74.84
O=C([O-])C1CCCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568851	1	56	0.0	-89.59	412.78	6.33	-83.26
O=C([O-])C1CSCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568852	1	54	0.0	-85.64	412.60	6.18	-79.46
O=C([O-])C1(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCCCC1	REAL300012568853	1	59	0.0	-82.92	432.21	5.35	-77.57
O=C([O-])C1CCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568854	1	53	0.0	-85.77	403.62	4.63	-81.14
O=C([O-])C1(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCCC1	REAL300012568855	1	56	0.0	-83.06	417.11	4.22	-78.84
O=C([O-])CNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568856	1	46	0.0	-66.06	360.07	1.29	-64.77
O=C([O-])[C@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012568857	1	56	0.0	-79.75	438.63	5.29	-74.46
O=C([O-])C(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012568858	1	56	0.0	-80.08	438.84	5.22	-74.86
CCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568859	1	52	0.0	-77.77	402.69	3.14	-74.63
CC(C)C(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568860	1	55	0.0	-78.31	414.80	3.47	-74.84
CN(CC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568861	1	49	0.0	-76.82	378.81	3.97	-72.85
CC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568862	1	49	0.0	-66.69	380.86	2.12	-64.57
CCC(C)C(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568863	1	58	0.0	-77.89	435.80	4.38	-73.51
CN(CC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568864	1	49	0.0	-76.82	378.81	3.97	-72.85
O=C([O-])C1CCCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568865	1	56	0.0	-89.59	412.78	6.33	-83.26
CCCC(C)(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568866	1	58	0.0	-79.00	428.33	4.26	-74.74
CC(C)N(CC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568867	1	55	0.0	-66.46	410.75	5.23	-61.23
O=C([O-])CN(C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012568868	1	53	0.0	-66.68	403.89	5.47	-61.21
C=CCN(CC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568869	1	53	0.0	-65.68	413.43	5.51	-60.17
CC(C)CN(CC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568870	1	58	0.0	-65.32	436.53	6.01	-59.31
CC(C)(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568871	1	52	0.0	-64.97	393.44	2.52	-62.45
CC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)(C(=O)[O-])C1CC1	REAL300012568872	1	56	0.0	-80.83	416.33	4.26	-76.57
O=C([O-])C1(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCCCC1	REAL300012568873	1	59	0.0	-82.92	432.21	5.35	-77.57
CC(C)N(CC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568874	1	55	0.0	-66.46	410.75	5.23	-61.23
CCCN(CC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568875	1	55	0.0	-65.82	422.12	5.71	-60.11
CCN(CC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568876	1	52	0.0	-76.99	400.62	4.95	-72.04
CC[C@H](C)[C@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568877	1	58	0.0	-78.67	433.93	4.10	-74.57
O=C([O-])C1(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCCC1	REAL300012568878	1	56	0.0	-83.06	417.11	4.22	-78.84
CCC(C)(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568879	1	55	0.0	-78.94	406.83	3.51	-75.43
C[C@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568880	1	49	0.0	-66.59	380.70	2.15	-64.44
CCN(CC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568881	1	52	0.0	-76.99	400.62	4.95	-72.04
C[C@@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568882	1	49	0.0	-67.27	381.17	2.08	-65.19
O=C([O-])C1(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300012568883	1	50	0.0	-84.31	387.02	3.33	-80.98
O=C([O-])C1COCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568884	1	54	0.0	-85.29	403.95	3.65	-81.64
O=C([O-])C(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012568885	1	53	0.0	-78.65	406.92	3.62	-75.03
COCCN(CC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568886	1	56	0.0	-66.50	432.00	4.13	-62.37
O=C([O-])[C@H]1CCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568887	1	53	0.0	-85.04	401.08	4.61	-80.43
O=C([O-])[C@H]1CCCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568888	1	56	0.0	-88.40	412.32	6.07	-82.33
C[C@H](C(=O)[O-])N(C)C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568889	1	52	0.0	-72.40	393.71	4.20	-68.20
O=C([O-])[C@@H]1CCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568890	1	53	0.0	-84.40	401.44	5.06	-79.34
O=C([O-])C1(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCC1	REAL300012568891	1	53	0.0	-83.72	403.82	3.86	-79.86
C=CCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568892	1	53	0.0	-77.04	415.73	3.66	-73.38
CC1(C(=O)[O-])CCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568893	1	56	0.0	-84.42	418.52	5.61	-78.81
O=C([O-])C1CCCCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568894	1	59	0.0	-87.68	426.14	6.57	-81.11
O=C([O-])C(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012568895	1	53	0.0	-78.65	406.92	3.62	-75.03
CC(C(=O)[O-])N(C)C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568896	1	52	0.0	-72.42	393.71	4.20	-68.22
CCCCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568897	1	58	0.0	-77.69	445.69	4.68	-73.01
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568898	1	56	0.0	-84.98	417.39	5.46	-79.52
O=C([O-])CN(C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCC1	REAL300012568899	1	59	0.0	-65.55	436.95	6.52	-59.03
COCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568900	1	53	0.0	-79.45	414.55	1.39	-78.06
CCCCCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568901	1	61	0.0	-77.35	466.94	5.53	-71.82
CN(C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1(C(=O)[O-])CCCC1	REAL300012568902	1	59	0.0	-84.97	428.14	5.95	-79.02
CC(C(=O)[O-])N(C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012568903	1	56	0.0	-65.88	419.07	5.55	-60.33
CCC(C(=O)[O-])N(C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012568904	1	59	0.0	-64.80	439.71	6.64	-58.16
COCC(C)(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568905	1	56	0.0	-82.94	425.07	2.79	-80.15
CCOCC(C(=O)[O-])N(C)C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568906	1	59	0.0	-74.42	445.68	4.54	-69.88
CC(C)CN(CC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568907	1	58	0.0	-65.32	436.53	6.01	-59.31
O=C([O-])CN(C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012568908	1	53	0.0	-66.68	403.89	5.47	-61.21
O=C([O-])C1(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCOC1	REAL300012568909	1	54	0.0	-78.27	408.22	1.66	-76.61
O=C([O-])C1(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCOCC1	REAL300012568910	1	57	0.0	-81.50	423.62	2.87	-78.63
C=CCCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568911	1	56	0.0	-77.15	436.76	4.53	-72.62
O=C([O-])C(CF)NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568912	1	49	0.0	-65.47	384.79	2.12	-63.35
CC(C(=O)[O-])N(C)C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568913	1	52	0.0	-72.42	393.71	4.20	-68.22
CCC(CC)(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568914	1	58	0.0	-79.98	423.50	4.41	-75.57
CCC(C)N(CC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568915	1	58	0.0	-65.38	431.35	6.28	-59.10
CCC(COC)(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568916	1	59	0.0	-84.42	441.52	3.71	-80.71
O=C([O-])C(CC1CC1)NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568917	1	56	0.0	-77.56	434.57	4.64	-72.92
COCCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568918	1	56	0.0	-77.41	436.36	2.20	-75.21
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568919	1	61	0.0	-73.07	451.51	6.52	-66.55
O=C([O-])C(CC(F)F)NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568920	1	52	0.0	-72.86	413.07	3.73	-69.13
CCCN(C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(C)C(=O)[O-]	REAL300012568921	1	58	0.0	-64.02	432.90	6.57	-57.45
O=C([O-])C(CCF)NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568922	1	52	0.0	-75.93	409.28	3.28	-72.65
CC(CCF)(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568923	1	55	0.0	-75.28	413.42	3.65	-71.63
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568924	1	53	0.0	-77.52	415.19	4.91	-72.61
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568925	1	52	0.0	-72.02	393.21	4.10	-67.92
O=C([O-])C12CC(C1)CN2C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568926	1	54	0.0	-90.22	408.69	5.69	-84.53
CC(C)(C)[C@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568927	1	58	0.0	-77.74	431.87	4.26	-73.48
C=C(Cl)CC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568928	1	53	0.0	-74.38	431.16	4.26	-70.12
C=C(C)CC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568929	1	56	0.0	-77.81	435.59	4.51	-73.30
O=C([O-])C12CCC(CC1)N2C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568930	1	57	0.0	-92.44	423.52	6.49	-85.95
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568931	1	53	0.0	-77.46	413.26	5.09	-72.37
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568932	1	53	0.0	-81.40	407.95	5.14	-76.26
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300012568933	1	54	0.0	-84.54	415.64	5.12	-79.42
CC(C)C[C@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568934	1	58	0.0	-77.64	441.15	4.51	-73.13
O=C([O-])C(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012568935	1	56	0.0	-80.08	438.84	5.22	-74.86
O=C([O-])C(CC1CC1)NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568936	1	56	0.0	-77.56	434.57	4.64	-72.92
CSCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568937	1	53	0.0	-75.95	426.39	3.48	-72.47
COC[C@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568938	1	53	0.0	-79.13	414.55	1.38	-77.75
CC[C@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568939	1	52	0.0	-77.54	402.69	3.14	-74.40
CCC(C)CC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568940	1	61	0.0	-78.31	459.51	5.16	-73.15
C=CCCCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568941	1	59	0.0	-77.33	458.26	5.31	-72.02
O=C([O-])C1CSCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568942	1	54	0.0	-85.64	412.60	6.18	-79.46
O=C([O-])[C@H]1CCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568943	1	53	0.0	-85.04	401.08	4.61	-80.43
CCCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568944	1	55	0.0	-77.74	424.19	3.90	-73.84
CC(C)[C@@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568945	1	55	0.0	-77.29	417.81	3.75	-73.54
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568946	1	57	0.0	-91.22	422.76	6.61	-84.61
CCN(C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012568947	1	58	0.0	-82.21	427.42	5.93	-76.28
CCCN(C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(C)C(=O)[O-]	REAL300012568948	1	58	0.0	-64.02	432.90	6.57	-57.45
CN(C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012568949	1	55	0.0	-82.03	407.92	5.03	-77.00
O=C([O-])[C@@H]1CCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568950	1	53	0.0	-84.40	401.44	5.06	-79.34
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568951	1	54	0.0	-86.33	413.47	1.36	-84.97
CCC[C@@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568952	1	55	0.0	-77.41	423.95	3.97	-73.44
O=C([O-])[C@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012568953	1	56	0.0	-79.75	438.63	5.29	-74.46
C=CCCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568954	1	56	0.0	-77.15	436.76	4.53	-72.62
C[C@]1(C(=O)[O-])CCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568955	1	56	0.0	-84.75	418.54	5.61	-79.14
CC(C)[C@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568956	1	55	0.0	-76.44	416.85	3.68	-72.76
O=C([O-])[C@@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012568957	1	56	0.0	-79.84	438.82	5.21	-74.63
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568958	1	52	0.0	-72.02	393.21	4.10	-67.92
CCC[C@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568959	1	55	0.0	-77.45	424.19	3.91	-73.54
CCN(C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(C)C(=O)[O-]	REAL300012568960	1	55	0.0	-79.92	413.61	5.69	-74.23
O=C([O-])CN(C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCC1	REAL300012568961	1	59	0.0	-65.55	436.95	6.52	-59.03
CC(CN(C)C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568962	1	55	0.0	-79.30	414.16	4.87	-74.43
CC[C@H](C)[C@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568963	1	58	0.0	-78.67	433.93	4.10	-74.57
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568964	1	55	0.0	-73.24	413.11	5.13	-68.11
O=C([O-])C1(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CC(CO)C1	REAL300012568965	1	57	0.0	-88.46	434.36	1.04	-87.42
CC1CCC(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])C1	REAL300012568966	1	59	0.0	-83.11	438.76	4.88	-78.23
COCCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568967	1	56	0.0	-77.41	436.36	2.20	-75.21
CC1(C)CC(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])C1	REAL300012568968	1	59	0.0	-84.31	440.02	5.55	-78.76
CC1(C(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])CC1	REAL300012568969	1	56	0.0	-78.61	431.42	4.27	-74.34
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568970	1	54	0.0	-91.18	410.99	1.40	-89.78
O=C([O-])C(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1CCOC1	REAL300012568971	1	57	0.0	-78.02	429.46	2.18	-75.84
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568972	1	57	0.0	-88.83	423.60	6.19	-82.64
O=C([O-])C12COC(CN1C(=O)NCCCN1CCN(C3=CC=[NH+]C=C3)CC1)C2	REAL300012568973	1	55	0.0	-85.76	416.08	3.87	-81.89
CC1CCC(C(=O)[O-])N(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300012568974	1	59	0.0	-89.07	433.81	6.94	-82.13
O=C([O-])C(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1CCC1	REAL300012568975	1	56	0.0	-78.40	427.56	4.19	-74.21
O=C([O-])C(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1CCC1	REAL300012568976	1	56	0.0	-78.40	427.56	4.19	-74.21
CC1CCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1C(=O)[O-]	REAL300012568977	1	56	0.0	-85.88	417.63	5.21	-80.67
C=CCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568978	1	53	0.0	-77.04	415.73	3.66	-73.38
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568979	1	57	0.0	-66.88	424.22	6.08	-60.80
COC1CC(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])C1	REAL300012568980	1	57	0.0	-85.71	437.18	2.82	-82.89
O=C([O-])C1(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CC(F)(F)C1	REAL300012568981	1	53	0.0	-81.26	412.24	3.88	-77.38
CO[C@H]1C[C@](NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])C1	REAL300012568982	1	57	0.0	-79.54	435.43	2.72	-76.82
CCC1(C(=O)[O-])CCCN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568983	1	59	0.0	-85.81	434.34	6.76	-79.05
O=C([O-])C1(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)COC1	REAL300012568984	1	51	0.0	-76.99	394.79	0.88	-76.11
CC(C)C(C)(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568985	1	58	0.0	-79.62	421.75	4.13	-75.49
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568986	1	54	0.0	-89.50	408.73	6.24	-83.26
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568987	1	57	0.0	-86.89	424.65	5.64	-81.25
CCC(C(=O)[O-])N(CC)C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568988	1	58	0.0	-73.57	427.40	5.95	-67.62
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568989	1	53	0.0	-81.40	407.95	5.14	-76.26
O=C([O-])C1C2C=CC(C2)N1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012568990	1	55	0.0	-65.69	417.53	5.87	-59.82
CC1(C)CCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1C(=O)[O-]	REAL300012568991	1	59	0.0	-85.93	433.78	6.01	-79.92
CC(C)CCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568992	1	61	0.0	-77.84	463.25	5.20	-72.64
O=C([O-])C1(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCC2CC21	REAL300012568993	1	57	0.0	-84.20	425.18	5.08	-79.12
O=C([O-])C(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCC1	REAL300012568994	1	59	0.0	-78.88	444.48	4.86	-74.02
CO[C@H](C)[C@H](NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568995	1	56	0.0	-78.97	432.70	2.38	-76.59
CC1[C@@H](C)[C@@]1(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568996	1	56	0.0	-86.02	425.71	4.88	-81.14
CC1(C)CC(C(=O)[O-])N(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300012568997	1	59	0.0	-66.08	441.31	5.85	-60.23
O=C([O-])C1N(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCC1(F)F	REAL300012568998	1	53	0.0	-86.58	413.13	5.19	-81.39
COCCCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012568999	1	59	0.0	-77.16	457.62	3.04	-74.12
CCCC(C(=O)[O-])N(C)C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012569000	1	58	0.0	-73.07	435.66	6.05	-67.02
CCOCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012569001	1	56	0.0	-79.84	436.40	2.36	-77.48
CC(C)(C)CC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012569002	1	61	0.0	-77.62	452.66	5.55	-72.07
C[C@H]1OCCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)[C@@H]1C(=O)[O-]	REAL300012569003	1	57	0.0	-86.91	424.12	4.62	-82.29
N#CCCC(NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012569004	1	53	0.0	-77.63	423.30	3.71	-73.92
C[C@H](C(=O)[O-])N(C)C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012569005	1	52	0.0	-72.40	393.71	4.20	-68.20
C=CCOCC(NC(=O)NCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012569006	0	46	0.0	-73.23	371.63	2.82	-70.41
C=CCOCC(NC(=O)NCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012569006	1	46	0.0	-72.69	371.79	2.80	-69.89
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012569007	0	49	0.0	-73.77	370.20	2.78	-70.99
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012569007	1	49	0.0	-75.44	370.25	2.77	-72.67
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012569008	0	45	0.0	-66.68	373.79	5.25	-61.43
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012569008	1	45	0.0	-66.78	373.42	5.22	-61.56
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012569009	0	45	0.0	-66.53	383.68	5.70	-60.83
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012569009	1	45	0.0	-66.62	383.31	5.67	-60.95
COCC[N@H+](C)CCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012569010	0	49	0.0	-79.92	365.25	5.01	-74.91
COCC[N@@H+](C)CCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012569010	1	49	0.0	-80.33	365.35	5.03	-75.30
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012569011	0	49	0.0	-69.61	369.04	2.87	-66.74
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012569011	1	49	0.0	-68.82	369.06	2.90	-65.92
COCC[N@H+](C)CCNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012569012	0	48	0.0	-78.80	348.76	6.24	-72.56
COCC[N@@H+](C)CCNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012569012	1	48	0.0	-79.27	348.93	6.33	-72.94
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012569013	0	48	0.0	-69.41	388.03	5.76	-63.65
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012569013	1	48	0.0	-68.49	387.81	5.86	-62.63
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012569014	0	50	0.0	-71.03	397.20	4.92	-66.11
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012569014	1	50	0.0	-71.91	397.00	5.00	-66.91
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012569015	0	51	0.0	-72.63	403.88	6.48	-66.15
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012569015	1	51	0.0	-73.03	403.88	6.48	-66.55
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012569016	0	51	0.0	-73.15	399.73	6.26	-66.89
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012569016	1	51	0.0	-72.84	399.13	6.31	-66.53
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012569017	0	49	0.0	-71.85	406.59	4.98	-66.87
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012569017	1	49	0.0	-71.77	406.85	4.92	-66.85
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012569018	0	51	0.0	-70.51	390.33	6.09	-64.42
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012569018	1	51	0.0	-72.89	391.33	6.08	-66.81
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012569019	0	49	0.0	-72.71	396.79	4.50	-68.21
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012569019	1	49	0.0	-72.53	397.04	4.42	-68.11
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012569020	0	51	0.0	-53.94	414.69	8.51	-45.43
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012569020	1	51	0.0	-54.86	420.84	8.82	-46.04
COCC[N@H+](C)CCNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012569021	0	48	0.0	-46.41	353.03	6.66	-39.75
COCC[N@@H+](C)CCNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012569021	1	48	0.0	-58.66	357.36	5.94	-52.72
CCCN(C(=O)NCC[N@H+](C)CCOC)C(COC)C(=O)[O-]	REAL300012569022	0	51	0.0	-69.67	382.19	5.16	-64.51
CCCN(C(=O)NCC[N@@H+](C)CCOC)C(COC)C(=O)[O-]	REAL300012569022	1	51	0.0	-70.35	382.27	5.13	-65.22
CCCN(C(=O)NCC[N@H+](C)CCOC)C(CC)C(=O)[O-]	REAL300012569023	0	50	0.0	-61.54	370.17	6.43	-55.11
CCCN(C(=O)NCC[N@@H+](C)CCOC)C(CC)C(=O)[O-]	REAL300012569023	1	50	0.0	-74.37	378.06	7.48	-66.89
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012569024	0	45	0.0	-69.06	378.02	5.57	-63.49
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012569024	1	45	0.0	-68.78	377.43	5.62	-63.16
COCC[N@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012569025	0	43	0.0	-77.12	334.82	5.91	-71.21
COCC[N@@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012569025	1	43	0.0	-77.88	335.09	6.03	-71.85
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012569026	0	48	0.0	-74.58	354.67	5.20	-69.38
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012569026	1	48	0.0	-73.57	354.69	5.22	-68.35
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012569027	0	51	0.0	-75.32	360.33	5.86	-69.46
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012569027	1	51	0.0	-74.15	360.35	5.88	-68.27
COCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012569028	0	48	0.0	-72.45	383.34	6.06	-66.39
COCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012569028	1	48	0.0	-71.64	383.35	6.08	-65.56
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012569029	0	48	0.0	-55.26	382.08	7.79	-47.47
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012569029	1	48	0.0	-57.02	382.10	7.82	-49.20
COCC[N@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012569030	0	45	0.0	-71.91	361.09	5.13	-66.78
COCC[N@@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012569030	1	45	0.0	-71.88	361.35	5.07	-66.81
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012569031	0	45	0.0	-72.32	361.31	5.05	-67.27
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012569031	1	45	0.0	-71.90	361.32	5.08	-66.82
COCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012569032	0	48	0.0	-72.45	383.34	6.06	-66.39
COCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012569032	1	48	0.0	-71.64	383.35	6.08	-65.56
COCC[N@H+](C)CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012569033	0	49	0.0	-79.56	372.77	8.04	-71.52
COCC[N@@H+](C)CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012569033	1	49	0.0	-80.70	373.25	8.13	-72.57
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012569034	0	42	0.0	-69.52	352.89	4.16	-65.36
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012569034	1	42	0.0	-70.22	352.33	4.18	-66.04
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012569035	0	48	0.0	-74.58	354.67	5.20	-69.38
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012569035	1	48	0.0	-73.57	354.69	5.22	-68.35
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012569036	0	48	0.0	-54.10	392.77	8.02	-46.08
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012569036	1	48	0.0	-54.93	398.83	8.34	-46.59
COCC[N@H+](C)CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012569037	0	52	0.0	-71.90	412.34	6.14	-65.76
COCC[N@@H+](C)CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012569037	1	52	0.0	-73.70	412.67	6.08	-67.62
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012569038	0	56	0.0	-58.64	434.99	6.13	-52.51
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012569038	1	56	0.0	-58.06	441.04	6.42	-51.64
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012569039	0	45	0.0	-68.90	382.59	5.68	-63.22
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012569039	1	45	0.0	-68.60	382.00	5.73	-62.87
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012569040	0	48	0.0	-54.67	382.42	7.57	-47.10
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012569040	1	48	0.0	-55.21	388.51	7.89	-47.32
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012569041	0	49	0.0	-73.16	379.27	6.23	-66.93
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012569041	1	49	0.0	-72.47	379.29	6.25	-66.22
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012569042	0	45	0.0	-72.42	372.15	5.20	-67.22
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012569042	1	45	0.0	-72.03	371.37	5.22	-66.81
COCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012569043	0	48	0.0	-71.38	368.92	5.85	-65.53
COCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012569043	1	48	0.0	-72.65	369.12	5.85	-66.80
CCCCCCC(C)(NC(=O)NCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012569044	0	56	0.0	-69.87	415.31	6.46	-63.41
CCCCCCC(C)(NC(=O)NCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012569044	1	56	0.0	-70.92	415.28	6.45	-64.47
COCC[N@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012569045	0	51	0.0	-71.00	392.66	8.02	-62.98
COCC[N@@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012569045	1	51	0.0	-70.14	392.67	8.04	-62.10
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012569046	0	45	0.0	-69.06	378.02	5.57	-63.49
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012569046	1	45	0.0	-68.78	377.43	5.62	-63.16
COCC[N@H+](C)CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012569047	0	51	0.0	-75.01	363.81	6.57	-68.44
COCC[N@@H+](C)CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012569047	1	51	0.0	-76.76	363.94	6.53	-70.23
COCC[N@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012569048	0	51	0.0	-56.37	404.49	8.57	-47.80
COCC[N@@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012569048	1	51	0.0	-58.22	404.50	8.59	-49.63
COCC[N@H+](C)CCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012569049	0	48	0.0	-70.56	372.46	6.82	-63.74
COCC[N@@H+](C)CCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012569049	1	48	0.0	-72.43	371.14	7.40	-65.03
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012569050	0	49	0.0	-74.97	376.31	6.20	-68.77
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012569050	1	49	0.0	-75.36	376.24	6.18	-69.18
COCC[N@H+](C)CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012569051	0	52	0.0	-79.08	417.24	6.00	-73.08
COCC[N@@H+](C)CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012569051	1	52	0.0	-78.29	417.26	6.01	-72.28
COCC[N@H+](C)CCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012569052	0	48	0.0	-75.18	349.80	6.78	-68.40
COCC[N@@H+](C)CCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012569052	1	48	0.0	-73.29	348.99	6.21	-67.08
COCC[N@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012569053	0	51	0.0	-56.37	404.49	8.57	-47.80
COCC[N@@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012569053	1	51	0.0	-58.22	404.50	8.59	-49.63
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012569054	0	48	0.0	-56.19	359.40	6.38	-49.81
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012569054	1	48	0.0	-54.54	359.46	6.37	-48.17
CCCCCC(NC(=O)NCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012569055	0	50	0.0	-69.94	389.43	5.39	-64.55
CCCCCC(NC(=O)NCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012569055	1	50	0.0	-70.74	389.40	5.37	-65.37
CCC1CCC(NC(=O)NCC[N@H+](C)CCOC)(C(=O)[O-])CC1	REAL300012569056	0	54	0.0	-69.20	387.42	5.75	-63.45
CCC1CCC(NC(=O)NCC[N@@H+](C)CCOC)(C(=O)[O-])CC1	REAL300012569056	1	54	0.0	-74.61	393.72	6.45	-68.16
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012569057	0	49	0.0	-56.76	367.88	4.69	-52.07
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012569057	1	49	0.0	-55.10	367.87	4.70	-50.40
COCC[N@H+](C)CCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012569058	0	48	0.0	-75.78	350.60	5.79	-69.99
COCC[N@@H+](C)CCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012569058	1	48	0.0	-77.50	350.61	5.80	-71.70
CCC(C(=O)[O-])N(C(=O)NCC[N@H+](C)CCOC)C1CC1	REAL300012569059	0	48	0.0	-71.40	357.13	6.55	-64.85
CCC(C(=O)[O-])N(C(=O)NCC[N@@H+](C)CCOC)C1CC1	REAL300012569059	1	48	0.0	-58.28	361.79	6.48	-51.80
COCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012569060	0	48	0.0	-69.68	400.99	6.81	-62.87
COCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012569060	1	48	0.0	-65.98	401.04	6.82	-59.16
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012569061	0	45	0.0	-72.48	372.03	5.54	-66.94
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012569061	1	45	0.0	-74.47	373.29	5.51	-68.96
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012569062	0	45	0.0	-76.36	365.45	5.23	-71.13
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012569062	1	45	0.0	-78.41	365.74	5.16	-73.25
COCC[N@H+](C)CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012569063	0	49	0.0	-59.48	376.09	7.51	-51.97
COCC[N@@H+](C)CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012569063	1	49	0.0	-58.29	376.25	7.50	-50.79
COCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012569064	0	48	0.0	-68.56	394.13	6.06	-62.50
COCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012569064	1	48	0.0	-74.63	398.81	6.40	-68.23
COCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012569065	0	54	0.0	-75.25	427.38	8.01	-67.24
COCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012569065	1	54	0.0	-75.92	426.98	8.08	-67.84
COCC[N@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012569066	0	54	0.0	-72.05	405.48	6.18	-65.87
COCC[N@@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012569066	1	54	0.0	-70.63	405.25	6.27	-64.36
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012569067	0	51	0.0	-55.25	395.97	8.22	-47.03
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012569067	1	51	0.0	-55.30	394.07	8.38	-46.92
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012569068	0	48	0.0	-72.38	382.75	5.73	-66.65
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012569068	1	48	0.0	-71.89	382.76	5.76	-66.13
COCC[N@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012569069	0	41	0.0	-65.20	340.84	3.75	-61.45
COCC[N@@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012569069	1	41	0.0	-64.69	340.86	3.78	-60.91
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012569070	0	51	0.0	-73.75	407.29	7.34	-66.41
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012569070	1	51	0.0	-73.72	407.04	7.41	-66.31
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012569071	0	46	0.0	-70.98	352.37	4.88	-66.10
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012569071	1	46	0.0	-70.09	352.38	4.90	-65.19
CCOCC(C(=O)[O-])N(C)C(=O)NCC[N@H+](C)CCOC	REAL300012569072	0	48	0.0	-68.62	367.56	4.31	-64.31
CCOCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+](C)CCOC	REAL300012569072	1	48	0.0	-69.52	368.15	4.38	-65.14
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@H+](C)CCOC	REAL300012569073	0	54	0.0	-51.45	402.27	8.35	-43.10
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@@H+](C)CCOC	REAL300012569073	1	54	0.0	-56.41	401.20	8.30	-48.11
COCC[N@H+](C)CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012569074	0	44	0.0	-55.52	362.69	5.94	-49.58
COCC[N@@H+](C)CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012569074	1	44	0.0	-57.52	362.73	5.95	-51.57
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012569075	0	51	0.0	-73.39	378.90	5.19	-68.20
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012569075	1	51	0.0	-72.65	378.91	5.20	-67.45
COCC[N@H+](C)CCNC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012569076	0	48	0.0	-68.15	416.81	7.08	-61.07
COCC[N@@H+](C)CCNC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012569076	1	48	0.0	-68.05	417.07	7.03	-61.02
COCC[N@H+](C)CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012569077	0	52	0.0	-70.23	394.41	5.74	-64.49
COCC[N@@H+](C)CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012569077	1	52	0.0	-69.57	394.82	5.83	-63.74
COCC[N@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012569078	0	52	0.0	-77.77	399.27	9.18	-68.59
COCC[N@@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012569078	1	52	0.0	-77.98	400.44	9.00	-68.98
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012569079	0	46	0.0	-74.14	346.09	2.70	-71.44
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012569079	1	46	0.0	-74.30	346.11	2.72	-71.58
COCC[N@H+](C)CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012569080	0	51	0.0	-74.54	391.60	8.66	-65.88
COCC[N@@H+](C)CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012569080	1	51	0.0	-75.76	391.91	8.67	-67.09
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012569081	0	49	0.0	-71.24	390.78	4.36	-66.88
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012569081	1	49	0.0	-72.50	390.80	4.36	-68.14
CCC(COC)(NC(=O)NCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012569082	0	48	0.0	-75.43	364.00	3.58	-71.85
CCC(COC)(NC(=O)NCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012569082	1	48	0.0	-76.33	363.98	3.55	-72.78
COCC[N@H+](C)CCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012569083	0	51	0.0	-69.56	388.42	5.14	-64.42
COCC[N@@H+](C)CCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012569083	1	51	0.0	-69.38	388.44	5.16	-64.22
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012569084	0	48	0.0	-76.37	371.21	1.18	-75.19
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012569084	1	48	0.0	-75.49	371.24	1.20	-74.29
COCC[N@H+](C)CCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012569085	0	50	0.0	-69.49	375.91	6.54	-62.95
COCC[N@@H+](C)CCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012569085	1	50	0.0	-67.64	374.00	6.38	-61.26
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+](C)CCOC	REAL300012569086	0	51	0.0	-78.75	375.77	7.42	-71.33
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+](C)CCOC	REAL300012569086	1	51	0.0	-78.33	375.56	7.44	-70.89
COCC[N@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012569087	0	51	0.0	-47.45	393.67	8.65	-38.80
COCC[N@@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012569087	1	51	0.0	-47.24	393.65	8.86	-38.38
CCC(NC(=O)NCC[N@H+](C)CCOC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012569088	0	51	0.0	-69.45	402.83	7.27	-62.18
CCC(NC(=O)NCC[N@@H+](C)CCOC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012569088	1	51	0.0	-69.05	402.69	7.21	-61.84
CCC(NC(=O)NCC[N@H+](C)CCOC)(C(=O)[O-])C1=CC=CC=C1	REAL300012569089	0	51	0.0	-73.43	386.00	6.71	-66.72
CCC(NC(=O)NCC[N@@H+](C)CCOC)(C(=O)[O-])C1=CC=CC=C1	REAL300012569089	1	51	0.0	-71.95	385.98	6.70	-65.25
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012569090	0	55	0.0	-76.36	410.67	4.26	-72.10
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012569090	1	55	0.0	-76.19	416.28	4.47	-71.72
COCC[N@H+](C)CCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012569091	0	52	0.0	-72.61	396.86	4.05	-68.56
COCC[N@@H+](C)CCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012569091	1	52	0.0	-72.04	396.67	4.09	-67.95
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012569092	0	49	0.0	-56.76	367.88	4.69	-52.07
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012569092	1	49	0.0	-55.10	367.87	4.70	-50.40
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012569093	0	51	0.0	-56.59	376.80	7.09	-49.50
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012569093	1	51	0.0	-54.97	376.82	7.08	-47.89
COCC[N@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012569094	0	51	0.0	-73.27	368.44	5.60	-67.67
COCC[N@@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012569094	1	51	0.0	-74.98	368.49	5.58	-69.40
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012569095	0	49	0.0	-73.77	390.81	4.35	-69.42
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012569095	1	49	0.0	-73.74	390.61	4.44	-69.30
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012569096	0	45	0.0	-71.57	375.38	5.60	-65.97
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012569096	1	45	0.0	-73.46	376.47	5.55	-67.91
COCC[N@H+](C)CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012569097	0	46	0.0	-60.52	357.99	5.56	-54.96
COCC[N@@H+](C)CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012569097	1	46	0.0	-61.78	358.09	5.55	-56.23
COCC[N@H+](C)CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012569098	0	42	0.0	-71.39	337.63	4.77	-66.62
COCC[N@@H+](C)CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012569098	1	42	0.0	-71.66	339.05	4.66	-67.00
COCC[N@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012569099	0	49	0.0	-73.13	390.17	4.40	-68.73
COCC[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012569099	1	49	0.0	-74.40	390.22	4.39	-70.01
COCC[N@H+](C)CCNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012569100	0	51	0.0	-78.50	389.89	6.79	-71.71
COCC[N@@H+](C)CCNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012569100	1	51	0.0	-78.99	389.96	6.79	-72.20
COCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012569101	0	52	0.0	-76.19	413.03	5.29	-70.90
COCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012569101	1	52	0.0	-75.45	413.05	5.32	-70.13
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012569102	0	54	0.0	-75.79	382.57	6.09	-69.70
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012569102	1	54	0.0	-74.75	382.61	6.08	-68.67
COCC[N@H+](C)CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012569103	0	51	0.0	-70.15	403.44	6.71	-63.44
COCC[N@@H+](C)CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012569103	1	51	0.0	-70.32	403.47	6.72	-63.60
COCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012569104	0	50	0.0	-76.50	397.31	6.51	-69.99
COCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012569104	1	50	0.0	-68.26	397.35	6.52	-61.74
COCC[N@H+](C)CCNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012569105	0	49	0.0	-77.51	374.31	4.42	-73.09
COCC[N@@H+](C)CCNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012569105	1	49	0.0	-76.29	374.33	4.43	-71.86
COCC[N@H+](C)CCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012569106	0	52	0.0	-70.56	396.28	3.90	-66.66
COCC[N@@H+](C)CCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012569106	1	52	0.0	-69.87	396.33	3.90	-65.97
C=C(Cl)CC(NC(=O)NCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012569107	0	42	0.0	-67.37	353.62	4.10	-63.27
C=C(Cl)CC(NC(=O)NCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012569107	1	42	0.0	-66.69	353.64	4.13	-62.56
COCC[N@H+](C)CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012569108	0	51	0.0	-70.81	393.11	6.26	-64.55
COCC[N@@H+](C)CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012569108	1	51	0.0	-70.94	393.16	6.27	-64.67
COCC[N@H+](C)CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012569109	0	42	0.0	-69.96	336.84	5.07	-64.89
COCC[N@@H+](C)CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012569109	1	42	0.0	-71.31	336.88	5.08	-66.23
COCC[N@H+](C)CCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012569110	0	52	0.0	-71.79	396.62	3.79	-68.00
COCC[N@@H+](C)CCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012569110	1	52	0.0	-73.33	396.64	3.82	-69.51
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012569111	0	49	0.0	-73.77	370.20	2.78	-70.99
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012569111	1	49	0.0	-75.44	370.25	2.77	-72.67
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012569112	0	45	0.0	-72.32	361.31	5.05	-67.27
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012569112	1	45	0.0	-71.90	361.32	5.08	-66.82
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012569113	0	48	0.0	-70.65	400.03	6.05	-64.60
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012569113	1	48	0.0	-71.47	399.81	6.14	-65.33
COCC[N@H+](C)CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012569114	0	44	0.0	-71.51	370.08	3.19	-68.32
COCC[N@@H+](C)CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012569114	1	44	0.0	-71.37	370.34	3.14	-68.23
COCC[N@H+](C)CCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012569115	0	53	0.0	-71.27	407.21	5.82	-65.45
COCC[N@@H+](C)CCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012569115	1	53	0.0	-70.48	407.23	5.85	-64.63
COCC[N@H+](C)CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012569116	0	51	0.0	-69.98	413.21	6.46	-63.52
COCC[N@@H+](C)CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012569116	1	51	0.0	-69.97	413.47	6.42	-63.55
COCC[N@H+](C)CCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012569117	0	49	0.0	-75.46	381.31	3.38	-72.08
COCC[N@@H+](C)CCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012569117	1	49	0.0	-74.84	381.36	3.38	-71.46
COCC[N@H+](C)CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012569118	0	48	0.0	-70.91	389.96	6.08	-64.83
COCC[N@@H+](C)CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012569118	1	48	0.0	-70.37	389.98	6.07	-64.30
CCC(C)CC(NC(=O)NCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012569119	0	50	0.0	-71.18	382.23	4.94	-66.24
CCC(C)CC(NC(=O)NCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012569119	1	50	0.0	-72.00	381.67	4.95	-67.05
C=CCCCC(NC(=O)NCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012569120	0	48	0.0	-70.91	380.72	5.15	-65.76
C=CCCCC(NC(=O)NCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012569120	1	48	0.0	-70.12	380.74	5.17	-64.95
COCC[N@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012569121	0	48	0.0	-69.94	389.93	6.07	-63.87
COCC[N@@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012569121	1	48	0.0	-71.18	389.95	6.08	-65.10
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012569122	0	51	0.0	-74.64	401.34	7.22	-67.42
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012569122	1	51	0.0	-75.56	401.12	7.25	-68.31
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012569123	0	49	0.0	-75.14	405.05	4.98	-70.16
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012569123	1	49	0.0	-75.66	404.65	5.04	-70.62
COCC[N@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012569124	0	43	0.0	-77.12	334.82	5.91	-71.21
COCC[N@@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012569124	1	43	0.0	-77.88	335.09	6.03	-71.85
COCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012569125	0	48	0.0	-71.38	368.92	5.85	-65.53
COCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012569125	1	48	0.0	-72.65	369.12	5.85	-66.80
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012569126	0	41	0.0	-66.70	337.70	5.30	-61.40
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012569126	1	41	0.0	-66.43	337.71	5.33	-61.10
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012569127	0	41	0.0	-66.70	337.70	5.30	-61.40
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012569127	1	41	0.0	-66.43	337.71	5.33	-61.10
COCC[N@H+](C)CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012569128	0	54	0.0	-56.13	411.39	3.29	-52.84
COCC[N@@H+](C)CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012569128	1	54	0.0	-58.03	411.44	3.29	-54.74
COCC[N@H+](C)CCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012569129	1	58	0.0	-57.74	436.59	3.16	-54.58
COCC[N@@H+](C)CCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012569129	1	58	0.0	-57.73	436.64	3.16	-54.57
COCC[N@H+](C)CCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012569130	0	49	0.0	-50.50	378.06	7.95	-42.55
COCC[N@@H+](C)CCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012569130	1	49	0.0	-52.22	378.20	7.94	-44.28
COCC[N@H+](C)CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012569131	0	52	0.0	-59.32	388.30	8.13	-51.19
COCC[N@@H+](C)CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012569131	1	52	0.0	-60.85	388.31	8.14	-52.71
COCC[N@H+](C)CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012569132	0	50	0.0	-70.19	381.03	6.24	-63.95
COCC[N@@H+](C)CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012569132	1	50	0.0	-72.04	381.02	6.20	-65.84
COCC[N@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012569133	0	45	0.0	-71.91	361.09	5.13	-66.78
COCC[N@@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012569133	1	45	0.0	-71.88	361.35	5.07	-66.81
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012569134	0	48	0.0	-68.48	400.07	6.06	-62.42
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012569134	1	48	0.0	-67.93	400.09	6.08	-61.85
COCC[N@H+](C)CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012569135	0	50	0.0	-71.88	401.20	5.06	-66.82
COCC[N@@H+](C)CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012569135	1	50	0.0	-73.76	401.46	5.01	-68.75
COCC[N@H+](C)CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012569136	0	44	0.0	-74.01	369.83	3.05	-70.96
COCC[N@@H+](C)CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012569136	1	44	0.0	-73.17	369.88	3.08	-70.09
COCC[N@H+](C)CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012569137	0	45	0.0	-66.99	389.62	4.80	-62.19
COCC[N@@H+](C)CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012569137	1	45	0.0	-68.46	389.64	4.83	-63.63
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012569138	0	42	0.0	-67.99	373.58	4.77	-63.22
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012569138	1	42	0.0	-68.53	373.61	4.77	-63.76
COCC[N@H+](C)CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012569139	0	45	0.0	-86.62	354.30	2.43	-84.19
COCC[N@@H+](C)CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012569139	1	45	0.0	-87.61	354.43	2.47	-85.14
COCC[N@H+](C)CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012569140	0	46	0.0	-71.48	351.78	4.19	-67.29
COCC[N@@H+](C)CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012569140	1	46	0.0	-72.01	351.97	4.20	-67.81
COCC[N@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012569141	0	45	0.0	-71.41	361.28	5.06	-66.35
COCC[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012569141	1	45	0.0	-71.97	360.71	5.10	-66.87
COCC[N@H+](C)CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012569142	0	48	0.0	-74.00	370.76	4.40	-69.60
COCC[N@@H+](C)CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012569142	1	48	0.0	-71.20	375.14	4.44	-66.76
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012569143	0	48	0.0	-56.19	359.40	6.38	-49.81
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012569143	1	48	0.0	-54.54	359.46	6.37	-48.17
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012569144	0	46	0.0	-78.92	356.82	0.87	-78.05
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012569144	1	46	0.0	-74.70	358.56	1.00	-73.70
COCC[N@H+](C)CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012569145	0	54	0.0	-72.25	408.95	4.26	-67.99
COCC[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012569145	1	54	0.0	-73.06	408.45	4.28	-68.78
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012569146	0	48	0.0	-74.70	361.19	4.74	-69.96
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012569146	1	48	0.0	-73.73	361.24	4.74	-68.99
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012569147	0	51	0.0	-73.19	370.65	5.47	-67.72
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012569147	1	51	0.0	-74.85	370.71	5.46	-69.39
COCC[N@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012569148	0	51	0.0	-71.00	392.66	8.02	-62.98
COCC[N@@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012569148	1	51	0.0	-70.14	392.67	8.04	-62.10
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012569149	0	48	0.0	-76.01	362.71	5.41	-70.60
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012569149	1	48	0.0	-75.16	362.73	5.42	-69.74
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012569150	0	55	0.0	-75.29	409.95	7.38	-67.91
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012569150	1	55	0.0	-75.79	410.12	7.44	-68.35
COCC[N@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012569151	0	54	0.0	-73.28	409.52	4.25	-69.03
COCC[N@@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012569151	1	54	0.0	-71.44	409.02	4.29	-67.15
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012569152	0	59	0.0	-74.92	462.56	7.39	-67.53
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012569152	1	59	0.0	-76.18	462.58	7.41	-68.77
COCC[N@H+](C)CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012569153	0	53	0.0	-59.21	403.50	8.61	-50.60
COCC[N@@H+](C)CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012569153	1	53	0.0	-60.65	403.51	8.63	-52.02
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012569154	0	46	0.0	-71.59	351.93	2.02	-69.57
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012569154	1	46	0.0	-70.79	351.95	2.03	-68.76
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012569155	0	49	0.0	-79.47	392.96	5.21	-74.26
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012569155	1	49	0.0	-78.87	393.01	5.21	-73.66
COCC[N@H+](C)CCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012569156	0	44	0.0	-77.79	338.41	3.80	-73.99
COCC[N@@H+](C)CCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012569156	1	44	0.0	-78.04	338.57	3.72	-74.32
COCC[N@H+](C)CCNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012569157	0	48	0.0	-79.30	356.03	6.77	-72.53
COCC[N@@H+](C)CCNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012569157	1	48	0.0	-79.83	356.10	6.76	-73.07
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012569158	0	51	0.0	-72.96	388.49	6.02	-66.94
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012569158	1	51	0.0	-70.94	398.70	6.37	-64.57
COCC[N@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012569159	0	52	0.0	-69.70	396.97	6.15	-63.55
COCC[N@@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012569159	1	52	0.0	-71.98	397.86	6.13	-65.85
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012569160	0	58	0.0	-73.75	418.53	5.83	-67.92
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012569160	1	58	0.0	-72.62	418.55	5.86	-66.76
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012569161	0	51	0.0	-73.39	378.90	5.19	-68.20
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012569161	1	51	0.0	-72.65	378.91	5.20	-67.45
COCC[N@H+](C)CCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012569162	0	52	0.0	-70.19	397.12	4.80	-65.39
COCC[N@@H+](C)CCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012569162	1	52	0.0	-69.28	397.17	4.80	-64.48
COCC[N@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012569163	0	52	0.0	-50.19	370.97	6.74	-43.45
COCC[N@@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012569163	1	52	0.0	-48.09	371.02	6.75	-41.34
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012569164	0	52	0.0	-75.18	375.14	4.03	-71.15
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012569164	1	52	0.0	-74.05	375.21	4.02	-70.03
COCC[N@H+](C)CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012569165	0	51	0.0	-72.71	414.67	7.47	-65.24
COCC[N@@H+](C)CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012569165	1	51	0.0	-72.75	421.75	7.29	-65.46
COCC[N@H+](C)CCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012569166	0	52	0.0	-85.12	389.18	8.53	-76.59
COCC[N@@H+](C)CCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012569166	1	52	0.0	-61.77	393.68	8.04	-53.73
COCC[N@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012569167	0	52	0.0	-69.70	396.97	6.15	-63.55
COCC[N@@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012569167	1	52	0.0	-71.98	397.86	6.13	-65.85
COCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012569168	0	48	0.0	-68.08	389.94	6.06	-62.02
COCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012569168	1	48	0.0	-73.35	389.76	6.14	-67.21
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012569169	0	46	0.0	-70.31	357.89	2.56	-67.75
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012569169	1	46	0.0	-77.21	359.66	2.66	-74.55
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012569170	0	42	0.0	-73.92	334.70	3.72	-70.20
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012569170	1	42	0.0	-73.16	334.73	3.74	-69.42
COCC[N@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012569171	0	46	0.0	-71.28	357.75	2.56	-68.72
COCC[N@@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012569171	1	46	0.0	-72.01	358.37	2.97	-69.04
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012569172	0	45	0.0	-68.24	366.76	4.63	-63.61
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012569172	1	45	0.0	-69.93	366.41	4.48	-65.45
CCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+](C)CCOC	REAL300012569173	0	48	0.0	-78.53	354.32	6.69	-71.84
CCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+](C)CCOC	REAL300012569173	1	48	0.0	-77.70	356.63	6.57	-71.13
COCC[N@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012569174	0	41	0.0	-65.20	340.84	3.75	-61.45
COCC[N@@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012569174	1	41	0.0	-64.69	340.86	3.78	-60.91
COCC[N@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012569175	0	49	0.0	-71.37	380.01	3.05	-68.32
COCC[N@@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012569175	1	49	0.0	-70.17	379.82	3.12	-67.05
COCC[N@H+](C)CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012569176	0	45	0.0	-70.53	375.73	4.98	-65.55
COCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012569176	1	45	0.0	-72.05	374.63	5.09	-66.96
COCC[N@H+](C)CCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012569177	0	52	0.0	-70.32	402.07	5.03	-65.29
COCC[N@@H+](C)CCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012569177	1	52	0.0	-71.54	402.09	5.04	-66.50
COCC[N@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012569178	0	51	0.0	-47.45	393.67	8.65	-38.80
COCC[N@@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012569178	1	51	0.0	-47.24	393.65	8.86	-38.38
COCC[N@H+](C)CCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012569179	0	52	0.0	-74.51	422.77	5.58	-68.93
COCC[N@@H+](C)CCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012569179	1	52	0.0	-75.88	422.80	5.61	-70.27
COCC[N@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012569180	0	54	0.0	-72.05	405.48	6.18	-65.87
COCC[N@@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012569180	1	54	0.0	-70.63	405.25	6.27	-64.36
COCC[N@H+](C)CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012569181	0	51	0.0	-71.31	406.56	6.77	-64.54
COCC[N@@H+](C)CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012569181	1	51	0.0	-72.68	406.58	6.79	-65.89
COCC[N@H+](C)CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012569182	0	51	0.0	-72.41	406.52	6.80	-65.61
COCC[N@@H+](C)CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012569182	1	51	0.0	-71.23	406.33	6.85	-64.38
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012569183	0	52	0.0	-72.30	385.59	5.65	-66.65
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012569183	1	52	0.0	-72.91	387.46	5.65	-67.26
COCC[N@H+](C)CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012569184	0	54	0.0	-71.55	405.21	6.28	-65.27
COCC[N@@H+](C)CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012569184	1	54	0.0	-71.20	405.56	6.19	-65.01
COCC[N@H+](C)CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012569185	0	54	0.0	-70.25	405.20	6.29	-63.96
COCC[N@@H+](C)CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012569185	1	54	0.0	-72.31	405.55	6.19	-66.12
COCC[N@H+](C)CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012569186	0	52	0.0	-51.97	385.76	6.87	-45.10
COCC[N@@H+](C)CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012569186	1	52	0.0	-52.10	386.58	6.83	-45.27
COCC[N@H+](C)CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012569187	0	52	0.0	-79.39	381.45	6.65	-72.74
COCC[N@@H+](C)CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012569187	1	52	0.0	-79.29	385.16	6.68	-72.61
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012569188	0	52	0.0	-75.58	425.65	5.60	-69.98
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012569188	1	52	0.0	-76.75	425.66	5.60	-71.15
COCC[N@H+](C)CCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012569189	0	52	0.0	-70.75	412.77	5.37	-65.38
COCC[N@@H+](C)CCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012569189	1	52	0.0	-72.62	413.04	5.31	-67.31
C=CCSCC(NC(=O)NCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012569190	0	46	0.0	-68.63	383.13	4.78	-63.85
C=CCSCC(NC(=O)NCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012569190	1	46	0.0	-67.55	382.91	4.88	-62.67
COCC[N@H+](C)CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012569191	0	49	0.0	-71.24	404.35	6.38	-64.86
COCC[N@@H+](C)CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012569191	1	49	0.0	-72.58	404.39	6.40	-66.18
COCC[N@H+](C)CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012569192	0	52	0.0	-86.18	423.22	5.99	-80.19
COCC[N@@H+](C)CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012569192	1	52	0.0	-84.64	422.99	6.07	-78.57
COCC[N@H+](C)CCNC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-]	REAL300012569193	0	56	0.0	-84.41	446.78	5.28	-79.13
COCC[N@@H+](C)CCNC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-]	REAL300012569193	1	56	0.0	-73.52	441.95	5.43	-68.09
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012569194	0	49	0.0	-66.67	372.61	2.69	-63.98
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012569194	1	49	0.0	-68.59	372.11	2.64	-65.95
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012569195	0	51	0.0	-72.07	386.29	5.99	-66.08
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012569195	1	51	0.0	-70.94	386.31	6.01	-64.93
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012569196	0	52	0.0	-74.53	392.57	7.13	-67.40
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012569196	1	52	0.0	-73.66	392.65	7.14	-66.52
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012569197	0	45	0.0	-76.98	358.52	4.49	-72.49
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012569197	1	45	0.0	-78.79	358.12	4.54	-74.25
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012569199	0	57	0.0	-72.08	437.49	7.38	-64.70
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012569199	1	57	0.0	-71.61	436.91	7.43	-64.18
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012569200	0	54	0.0	-71.59	421.29	7.06	-64.53
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012569200	1	54	0.0	-71.50	421.55	7.00	-64.50
COCC[N@H+](C)CCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012569201	0	48	0.0	-76.59	356.21	5.88	-70.71
COCC[N@@H+](C)CCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012569201	1	48	0.0	-78.07	356.25	5.87	-72.20
CCOC1=CC=C(C(NC(=O)NCC[N@H+](C)CCOC)C(=O)[O-])C=C1	REAL300012569202	0	52	0.0	-71.52	412.67	5.29	-66.23
CCOC1=CC=C(C(NC(=O)NCC[N@@H+](C)CCOC)C(=O)[O-])C=C1	REAL300012569202	1	52	0.0	-71.68	412.42	5.35	-66.33
COCC[N@H+](C)CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012569203	0	52	0.0	-78.88	380.37	7.57	-71.31
COCC[N@@H+](C)CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012569203	1	52	0.0	-78.61	380.46	7.58	-71.03
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012569204	0	52	0.0	-73.00	403.29	6.93	-66.07
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012569204	1	52	0.0	-70.71	401.78	6.98	-63.73
COCC[N@H+](C)CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012569205	0	52	0.0	-76.97	403.75	6.10	-70.87
COCC[N@@H+](C)CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012569205	1	52	0.0	-76.05	403.76	6.11	-69.94
COCC[N@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012569206	0	48	0.0	-74.03	397.31	6.04	-67.99
COCC[N@@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012569206	1	48	0.0	-75.84	397.57	6.00	-69.84
COCC[N@H+](C)CCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012569207	0	50	0.0	-70.97	385.48	5.10	-65.87
COCC[N@@H+](C)CCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012569207	1	50	0.0	-70.15	385.49	5.13	-65.02
COCC[N@H+](C)CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012569208	0	49	0.0	-50.45	371.68	6.35	-44.10
COCC[N@@H+](C)CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012569208	1	49	0.0	-52.28	371.64	6.35	-45.93
COCC[N@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012569209	0	49	0.0	-71.37	380.01	3.05	-68.32
COCC[N@@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012569209	1	49	0.0	-70.17	379.82	3.12	-67.05
COCC[N@H+](C)CCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012569210	0	46	0.0	-74.06	367.19	6.07	-67.99
COCC[N@@H+](C)CCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012569210	1	46	0.0	-75.58	367.00	6.09	-69.49
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012569211	0	49	0.0	-75.19	360.51	5.84	-69.35
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012569211	1	49	0.0	-73.08	363.25	5.59	-67.49
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012569212	0	49	0.0	-72.98	368.81	5.33	-67.65
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012569212	1	49	0.0	-73.20	368.94	5.34	-67.86
COCC[N@H+](C)CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012569213	0	51	0.0	-71.67	394.10	8.05	-63.62
COCC[N@@H+](C)CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012569213	1	51	0.0	-70.71	394.11	8.06	-62.65
COCC[N@H+](C)CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012569214	0	55	0.0	-52.04	399.82	7.38	-44.66
COCC[N@@H+](C)CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012569214	1	55	0.0	-49.98	399.86	7.38	-42.60
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012569215	0	48	0.0	-72.00	366.94	4.70	-67.30
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012569215	1	48	0.0	-70.97	361.33	4.58	-66.39
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012569216	0	48	0.0	-55.26	382.08	7.79	-47.47
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012569216	1	48	0.0	-57.02	382.10	7.82	-49.20
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012569217	0	55	0.0	-72.33	435.26	8.54	-63.79
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012569217	1	55	0.0	-71.83	435.28	8.56	-63.27
COCC[N@H+](C)CCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012569218	0	48	0.0	-52.34	363.74	5.71	-46.63
COCC[N@@H+](C)CCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012569218	1	48	0.0	-50.21	363.79	5.70	-44.51
COCC[N@H+](C)CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012569219	0	49	0.0	-56.75	388.17	7.49	-49.26
COCC[N@@H+](C)CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012569219	1	49	0.0	-58.04	388.26	7.49	-50.55
COCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012569220	0	51	0.0	-67.82	407.81	6.85	-60.97
COCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012569220	1	51	0.0	-69.23	407.87	6.86	-62.37
COCC[N@H+](C)CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012569221	0	45	0.0	-77.05	346.11	6.00	-71.05
COCC[N@@H+](C)CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012569221	1	45	0.0	-77.42	346.14	6.07	-71.35
COCC[N@H+](C)CCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012569222	0	42	0.0	-79.59	335.56	5.05	-74.54
COCC[N@@H+](C)CCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012569222	1	42	0.0	-81.29	335.60	5.05	-76.24
COCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012569223	0	48	0.0	-68.08	389.94	6.06	-62.02
COCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012569223	1	48	0.0	-73.35	389.76	6.14	-67.21
COCC[N@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012569224	0	45	0.0	-70.75	374.38	4.91	-65.84
COCC[N@@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012569224	1	45	0.0	-70.67	374.50	4.93	-65.74
COCC[N@H+](C)CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012569225	0	45	0.0	-69.29	353.10	5.56	-63.73
COCC[N@@H+](C)CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012569225	1	45	0.0	-70.67	353.12	5.58	-65.09
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012569226	0	49	0.0	-75.29	388.33	5.73	-69.56
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012569226	1	49	0.0	-74.64	388.35	5.74	-68.90
COCC[N@H+](C)CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012569227	0	53	0.0	-74.65	412.09	7.38	-67.27
COCC[N@@H+](C)CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012569227	1	53	0.0	-76.83	413.05	7.10	-69.73
COCC[N@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012569228	0	45	0.0	-70.75	374.38	4.91	-65.84
COCC[N@@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012569228	1	45	0.0	-70.67	374.50	4.93	-65.74
COCC[N@H+](C)CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012569229	0	49	0.0	-79.77	361.70	5.97	-73.80
COCC[N@@H+](C)CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012569229	1	49	0.0	-79.07	362.36	6.28	-72.79
COCCCC(NC(=O)NCC[N@H+](C)CCOC)C(=O)[O-]	REAL300012569230	0	48	0.0	-69.49	380.10	2.90	-66.59
COCCCC(NC(=O)NCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300012569230	1	48	0.0	-70.69	380.33	2.81	-67.88
COCC[N@H+](C)CCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012569231	0	50	0.0	-69.90	374.92	5.44	-64.46
COCC[N@@H+](C)CCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012569231	1	50	0.0	-71.48	375.14	5.41	-66.07
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012569232	0	49	0.0	-74.57	375.64	3.12	-71.45
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012569232	1	49	0.0	-73.71	375.67	3.13	-70.58
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012569233	0	45	0.0	-71.12	382.63	5.67	-65.45
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012569233	1	45	0.0	-70.69	382.65	5.68	-65.01
COCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012569234	0	49	0.0	-73.16	379.27	6.23	-66.93
COCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012569234	1	49	0.0	-72.47	379.29	6.25	-66.22
COCC[N@H+](C)CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012569235	0	46	0.0	-78.17	346.50	4.50	-73.67
COCC[N@@H+](C)CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012569235	1	46	0.0	-77.07	345.94	4.16	-72.91
COCC[N@H+](C)CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012569236	0	48	0.0	-71.72	366.74	5.89	-65.83
COCC[N@@H+](C)CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012569236	1	48	0.0	-70.73	366.92	5.89	-64.84
COCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012569237	0	59	0.0	-73.95	417.04	7.16	-66.79
COCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012569237	1	59	0.0	-74.29	417.05	7.18	-67.11
COCC[N@H+](C)CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012569238	0	51	0.0	-75.83	413.49	6.24	-69.59
COCC[N@@H+](C)CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012569238	1	51	0.0	-75.12	413.50	6.25	-68.87
COCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012569239	0	45	0.0	-58.92	358.10	5.71	-53.21
COCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012569239	1	45	0.0	-57.92	363.76	5.95	-51.97
COCC[N@H+](C)CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012569240	0	56	0.0	-78.12	397.32	6.42	-71.70
COCC[N@@H+](C)CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012569240	1	56	0.0	-78.12	397.19	6.47	-71.65
COCC[N@H+](C)CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012569241	0	47	0.0	-68.17	395.30	4.61	-63.56
COCC[N@@H+](C)CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012569241	1	47	0.0	-67.68	395.34	4.63	-63.05
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+](C)CCOC)C1	REAL300012569242	0	49	0.0	-77.91	379.77	4.58	-73.33
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+](C)CCOC)C1	REAL300012569242	1	49	0.0	-76.57	379.73	4.58	-71.99
CC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N=C1	REAL300012569346	0	52	0.0	-68.29	407.59	6.21	-62.08
COC1CCCC1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012570793	0	57	0.0	-63.97	429.25	6.12	-57.85
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C3COCC3=C2)CC1	REAL300012571110	0	55	0.0	-64.51	427.15	6.72	-57.79
CC(C)CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012571312	0	55	0.0	-58.24	408.12	7.00	-51.24
COCCOCCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012571533	0	60	0.0	-61.22	458.21	5.01	-56.21
CN(CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])CC(F)(F)F	REAL300012571822	0	54	0.0	-61.67	417.29	4.35	-57.32
CC1=CC=C(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572644	0	54	0.0	-66.05	410.41	8.22	-57.83
C=CCOCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572645	0	53	0.0	-67.34	418.70	6.71	-60.63
C=CC(C)C(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572646	0	52	0.0	-65.65	400.91	8.01	-57.64
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+]2CCCC2)O1	REAL300012572647	0	56	0.0	-68.61	416.01	6.77	-61.84
COC1CCN(C(=O)NCC(C2=CC=C(C)O2)[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012572648	0	56	0.0	-75.07	420.87	8.91	-66.16
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)[NH+]2CCCC2)O1	REAL300012572649	0	56	0.0	-66.05	415.49	6.75	-59.30
CC1=CC=C(C(CNC(=O)N2CCC(C)CC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572650	0	55	0.0	-77.33	402.51	10.47	-66.86
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)[NH+]2CCCC2)O1	REAL300012572651	0	58	0.0	-68.52	450.47	10.39	-58.13
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)[NH+]2CCCC2)O1	REAL300012572652	0	58	0.0	-67.36	445.56	10.16	-57.20
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)[NH+]2CCCC2)O1	REAL300012572653	0	58	0.0	-65.72	436.91	10.00	-55.72
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1	REAL300012572654	0	51	0.0	-48.86	391.51	9.48	-39.38
CC1=CC=C(C(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)[NH+]2CCCC2)O1	REAL300012572655	0	55	0.0	-47.96	403.54	9.84	-38.12
CCCN(C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(COC)C(=O)[O-]	REAL300012572656	0	58	0.0	-63.80	429.80	9.15	-54.65
CCCN(C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(CC)C(=O)[O-]	REAL300012572657	0	57	0.0	-71.79	424.04	11.32	-60.47
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]2CCCC2)O1	REAL300012572658	0	51	0.0	-68.21	384.78	7.24	-60.97
CC1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572659	0	52	0.0	-74.80	390.79	10.08	-64.72
CC1=CC=C(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572660	0	50	0.0	-72.03	390.31	9.81	-62.22
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+]2CCCC2)O1	REAL300012572661	0	55	0.0	-71.95	410.36	9.12	-62.83
CC1=CC=C(C(CNC(=O)N2CCCC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572662	0	49	0.0	-70.18	379.59	8.81	-61.37
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)O1	REAL300012572663	0	52	0.0	-71.72	395.85	8.01	-63.71
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)[NH+]2CCCC2)O1	REAL300012572664	0	58	0.0	-66.84	415.87	9.78	-57.06
CC1=CC=C(C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572665	0	55	0.0	-67.25	430.27	9.99	-57.26
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+]2CCCC2)O1	REAL300012572666	0	55	0.0	-48.38	429.01	11.73	-36.65
CC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)O1	REAL300012572667	0	52	0.0	-69.28	416.78	9.05	-60.23
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)O1	REAL300012572668	0	52	0.0	-67.41	407.62	9.01	-58.40
CCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572669	0	48	0.0	-66.04	372.08	6.91	-59.13
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]2CCCC2)O1	REAL300012572670	0	51	0.0	-68.21	384.78	7.24	-60.97
CC1=CC=C(C(CNC(=O)N(C)CC(=O)[O-])[NH+]2CCCC2)O1	REAL300012572671	0	45	0.0	-65.62	348.21	7.74	-57.88
CC1=CC=C(C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572672	0	55	0.0	-67.25	430.27	9.99	-57.26
CC1=CC=C(C(CNC(=O)NC(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572673	0	45	0.0	-56.37	350.26	5.90	-50.47
CCC(C)C(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572674	0	54	0.0	-67.35	401.67	7.85	-59.50
CC1=CC=C(C(CNC(=O)N(C)CC(=O)[O-])[NH+]2CCCC2)O1	REAL300012572675	0	45	0.0	-65.62	348.21	7.74	-57.88
CC1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572676	0	52	0.0	-74.80	390.79	10.08	-64.72
CCCC(C)(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572677	0	54	0.0	-67.84	397.72	8.04	-59.80
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]2CCCC2)O1	REAL300012572678	0	51	0.0	-44.83	379.86	8.96	-35.87
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+]2CCCC2)O1	REAL300012572679	0	49	0.0	-41.02	373.61	9.24	-31.78
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1	REAL300012572680	0	49	0.0	-48.61	382.82	9.29	-39.32
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]2CCCC2)O1	REAL300012572681	0	54	0.0	-48.79	406.17	10.00	-38.79
CC1=CC=C(C(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572682	0	56	0.0	-74.93	428.35	11.95	-62.98
CC1=CC=C(C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572683	0	48	0.0	-55.08	362.83	6.29	-48.79
CC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)[NH+]2CCCC2)O1	REAL300012572684	0	52	0.0	-69.89	385.34	8.04	-61.85
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)[NH+]2CCCC2)O1	REAL300012572685	0	49	0.0	-66.20	399.50	8.08	-58.12
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+]2CCCC2)O1	REAL300012572686	0	55	0.0	-71.95	410.36	9.12	-62.83
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]2CCCC2)O1	REAL300012572687	0	51	0.0	-44.83	379.86	8.96	-35.87
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1	REAL300012572688	0	51	0.0	-48.86	391.51	9.48	-39.38
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1	REAL300012572689	0	48	0.0	-65.53	370.01	8.72	-56.81
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572690	0	54	0.0	-65.64	402.22	7.91	-57.73
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)O1	REAL300012572691	0	52	0.0	-71.72	395.85	8.01	-63.71
CCC(C)(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572692	0	51	0.0	-67.61	376.22	7.28	-60.33
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)[NH+]2CCCC2)O1	REAL300012572693	0	56	0.0	-68.61	426.22	10.17	-58.44
CC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)O1	REAL300012572694	0	55	0.0	-68.97	415.66	9.78	-59.19
CC1=CC=C(C(CNC(=O)N[C@@H](C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572695	0	45	0.0	-59.25	358.86	5.88	-53.37
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1	REAL300012572696	0	48	0.0	-65.53	370.01	8.72	-56.81
CCCCCCC(C)(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572697	0	63	0.0	-68.04	462.22	10.37	-57.67
CC1=CC=C(C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572698	0	58	0.0	-64.78	439.59	11.96	-52.82
CC1=CC=C(C(CNC(=O)N[C@H](C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572699	0	45	0.0	-57.92	350.19	5.85	-52.07
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC2)[NH+]2CCCC2)O1	REAL300012572700	0	46	0.0	-73.04	356.42	7.12	-65.92
CC1=CC=C(C(CNC(=O)N2CCOCC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572701	0	50	0.0	-72.04	381.92	7.40	-64.64
CC1=CC=C(C(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)[NH+]2CCCC2)O1	REAL300012572702	0	58	0.0	-67.79	419.40	10.46	-57.33
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+]2CCCC2)O1	REAL300012572703	0	49	0.0	-69.32	385.08	7.38	-61.94
CC1=CC=C(C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])[NH+]2CCCC2)O1	REAL300012572704	0	58	0.0	-50.05	451.42	12.51	-37.54
CC1=CC=C(C(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)O1	REAL300012572705	0	55	0.0	-66.32	419.10	10.90	-55.42
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1	REAL300012572706	0	52	0.0	-48.97	401.39	7.91	-41.06
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)[NH+]2CCCC2)O1	REAL300012572707	0	56	0.0	-73.19	422.94	10.05	-63.14
CC1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572708	0	49	0.0	-73.32	371.62	8.50	-64.82
CC1=CC=C(C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572709	0	52	0.0	-73.81	390.18	9.77	-64.04
CC1=CC=C(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572710	0	48	0.0	-64.44	361.66	7.90	-56.54
CC1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572711	0	49	0.0	-73.95	379.78	8.80	-65.15
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC2)[NH+]2CCCC2)O1	REAL300012572712	0	49	0.0	-67.53	381.81	7.62	-59.91
C=CCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572713	0	49	0.0	-65.16	385.12	7.43	-57.73
CC1=CC=C(C(CNC(=O)N2CCCC2(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572714	0	52	0.0	-69.69	396.68	9.36	-60.33
CC1=CC=C(C(CNC(=O)N2CCCCCC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572715	0	55	0.0	-72.47	403.39	10.47	-62.00
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+]2CCCC2)O1	REAL300012572716	0	49	0.0	-69.32	385.08	7.38	-61.94
CC1=CC=C(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572717	0	48	0.0	-63.67	362.22	7.87	-55.80
CCCCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572718	0	54	0.0	-65.34	414.84	8.52	-56.82
CC1=CC=C(C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])[NH+]2CCCC2)O1	REAL300012572719	0	58	0.0	-50.05	451.42	12.51	-37.54
CC1=CC=C(C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572720	0	52	0.0	-74.04	396.90	9.34	-64.70
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+]2CCCC2)O1	REAL300012572721	0	55	0.0	-48.66	405.98	10.28	-38.38
COCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572722	0	49	0.0	-66.81	383.94	5.16	-61.65
CCCCCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572723	0	57	0.0	-65.88	436.58	9.24	-56.64
CCC1CCC(NC(=O)NCC(C2=CC=C(C)O2)[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012572724	0	61	0.0	-71.83	449.42	10.35	-61.48
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+]2CCCC2)O1	REAL300012572725	0	56	0.0	-48.75	414.79	8.63	-40.12
CC1=CC=C(C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)[NH+]2CCCC2)O1	REAL300012572726	0	55	0.0	-69.74	406.15	9.69	-60.05
CC1=CC=C(C(CNC(=O)N(C(C)C(=O)[O-])C2CC2)[NH+]2CCCC2)O1	REAL300012572727	0	52	0.0	-53.21	390.80	9.99	-43.22
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C1CC1	REAL300012572728	0	55	0.0	-39.51	413.29	11.26	-28.25
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)[NH+]2CCCC2)O1	REAL300012572729	0	52	0.0	-73.09	412.27	9.07	-64.02
CC1=CC=C(C(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572730	0	56	0.0	-53.94	431.64	11.41	-42.53
CC1=CC=C(C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572731	0	61	0.0	-65.67	451.72	10.22	-55.45
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)[NH+]2CCCC2)O1	REAL300012572732	0	58	0.0	-49.58	442.42	12.16	-37.42
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)[NH+]2CCCC2)O1	REAL300012572733	0	55	0.0	-67.46	429.03	9.69	-57.77
CC1=CC=C(C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572734	0	48	0.0	-59.82	387.77	7.69	-52.13
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCSCC2)[NH+]2CCCC2)O1	REAL300012572735	0	53	0.0	-66.77	399.33	8.82	-57.95
COCC(C)(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572736	0	52	0.0	-72.28	394.47	6.57	-65.71
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1	REAL300012572737	0	55	0.0	-65.21	414.70	8.30	-56.91
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]2CCCC2)O1	REAL300012572738	0	54	0.0	-48.79	406.17	10.00	-38.79
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+]2CCCC2)O1	REAL300012572739	0	49	0.0	-41.02	373.61	9.24	-31.78
CC1=CC=C(C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[NH+]2CCCC2)O1	REAL300012572740	0	51	0.0	-50.01	409.65	9.86	-40.15
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOC2)[NH+]2CCCC2)O1	REAL300012572741	0	50	0.0	-64.22	386.49	5.40	-58.82
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+]2CCCC2)O1	REAL300012572742	0	58	0.0	-66.95	425.16	9.20	-57.75
CC1=CC=C(C(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572743	0	59	0.0	-65.42	440.88	9.67	-55.75
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOCC2)[NH+]2CCCC2)O1	REAL300012572744	0	53	0.0	-72.08	393.05	6.63	-65.45
C=CCCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572745	0	52	0.0	-65.80	406.39	8.24	-57.56
CC1=CC=C(C(CNC(=O)NC(CF)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572746	0	45	0.0	-55.38	353.82	5.87	-49.51
CC1=CC=C(C(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572747	0	58	0.0	-50.84	436.98	12.42	-38.42
CC1=CC=C(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572748	0	48	0.0	-63.67	362.22	7.87	-55.80
CCC(CC)(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572749	0	54	0.0	-69.58	392.24	8.17	-61.41
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1	REAL300012572750	0	54	0.0	-40.47	402.68	10.23	-30.24
CCC(COC)(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572751	0	55	0.0	-74.40	410.54	7.47	-66.93
CC1=CC=C(C(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572752	0	58	0.0	-65.86	434.97	9.07	-56.79
CC1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572753	0	52	0.0	-67.93	403.58	8.41	-59.52
COCCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572754	0	52	0.0	-65.68	405.52	6.04	-59.64
CC1=CC=C(C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572755	0	57	0.0	-66.20	422.44	10.43	-55.77
CC1=CC=C(C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572756	0	48	0.0	-66.02	384.19	7.27	-58.75
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1	REAL300012572757	0	58	0.0	-78.50	421.69	11.04	-67.46
CCCN(C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012572758	0	54	0.0	-70.49	403.51	10.20	-60.29
CC1=CC=C(C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572759	0	58	0.0	-36.60	438.54	12.68	-23.92
CCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012572760	0	58	0.0	-68.86	433.02	10.67	-58.19
CC1=CC=C(C(CNC(=O)NC(CCF)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572761	0	48	0.0	-65.22	378.68	7.05	-58.17
COC1(CC(NC(=O)NCC(C2=CC=C(C)O2)[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012572762	0	59	0.0	-70.02	443.43	8.01	-62.01
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+]2CCCC2)O1	REAL300012572763	0	56	0.0	-48.75	414.79	8.63	-40.12
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)[NH+]2CCCC2)O1	REAL300012572764	0	58	0.0	-48.98	423.36	10.99	-37.99
CC1=CC=C(C(CNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)[NH+]2CCCC2)O1	REAL300012572765	0	58	0.0	-66.39	423.92	9.48	-56.91
CC1=CC=C(C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572766	0	51	0.0	-64.89	382.81	7.42	-57.47
CC1=CC=C(C(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572767	0	53	0.0	-60.46	413.54	9.44	-51.02
CC1=CC=C(C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572768	0	49	0.0	-67.04	392.75	8.63	-58.41
CC1=CC=C(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572769	0	48	0.0	-62.42	361.61	7.93	-54.49
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)[NH+]2CCCC2)O1	REAL300012572770	0	61	0.0	-71.82	429.56	9.99	-61.83
CC1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)[NH+]2CCCC2)O1	REAL300012572771	0	50	0.0	-76.84	386.35	9.42	-67.42
COC1CN(C(=O)NCC(C2=CC=C(C)O2)[NH+]2CCCC2)C(C)(C(=O)[O-])C1	REAL300012572772	0	56	0.0	-76.15	420.86	8.34	-67.81
CC1=CC=C(C(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572773	0	59	0.0	-67.42	442.86	7.81	-59.61
CC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]2CCCC2)O1	REAL300012572774	0	54	0.0	-66.96	402.50	8.02	-58.94
C=C(Cl)CC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572775	0	49	0.0	-62.71	399.95	8.08	-54.63
C=C(C)CC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572776	0	52	0.0	-66.25	403.41	8.29	-57.96
CC1=CC=C(C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)[NH+]2CCCC2)O1	REAL300012572777	0	53	0.0	-83.32	392.45	10.27	-73.05
CC1=CC=C(C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572778	0	49	0.0	-68.78	384.58	8.69	-60.09
CC1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572779	0	49	0.0	-66.87	386.21	8.57	-58.30
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(C)O2)[NH+]2CCCC2)C1	REAL300012572780	0	50	0.0	-70.40	393.73	8.85	-61.55
CC1=CC=C(C(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572781	0	59	0.0	-67.54	443.18	7.71	-59.83
CC1=CC=C(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572782	0	54	0.0	-66.05	410.41	8.22	-57.83
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+]2CCCC2)O1	REAL300012572783	0	56	0.0	-68.61	416.01	6.77	-61.84
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)O1	REAL300012572784	0	52	0.0	-67.41	407.62	9.01	-58.40
CC1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572785	0	52	0.0	-67.93	403.58	8.41	-59.52
CC1=CC=C(C(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572786	0	51	0.0	-65.38	416.22	7.11	-58.27
CC1=CC=C(C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572787	0	60	0.0	-65.39	453.91	9.82	-55.57
CC1=CC=C(C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572788	0	56	0.0	-72.09	427.65	7.36	-64.73
CSCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572789	0	49	0.0	-63.06	395.78	7.26	-55.80
COC[C@H](NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572790	0	49	0.0	-65.93	392.22	5.13	-60.80
CC[C@H](NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572791	0	48	0.0	-64.40	380.02	6.91	-57.49
CCC(C)CC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572792	0	57	0.0	-65.57	427.94	8.95	-56.62
C=CCCCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572793	0	55	0.0	-66.04	427.89	9.02	-57.02
CC1=CC=C(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572794	0	50	0.0	-72.03	390.31	9.81	-62.22
CC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)O1	REAL300012572795	0	55	0.0	-68.97	415.66	9.78	-59.19
CC1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572796	0	49	0.0	-73.32	371.62	8.50	-64.82
CCCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572797	0	51	0.0	-65.93	393.58	7.68	-58.25
CC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+]2CCCC2)O1	REAL300012572798	0	51	0.0	-67.40	382.96	7.28	-60.12
CC1=CC=C(C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572799	0	53	0.0	-75.74	400.52	10.36	-65.38
CCN(C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012572800	0	54	0.0	-69.00	396.28	9.66	-59.34
CCCN(C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012572801	0	54	0.0	-70.49	403.51	10.20	-60.29
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]2CCCC2)O1	REAL300012572802	0	48	0.0	-61.36	384.63	9.23	-52.13
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]2CCCC2)O1	REAL300012572803	0	48	0.0	-61.36	384.63	9.23	-52.13
CC1=CC=C(C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572804	0	51	0.0	-71.47	377.16	8.65	-62.82
CC1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572805	0	49	0.0	-73.95	379.78	8.80	-65.15
CC1=CC=C(C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572806	0	50	0.0	-77.94	382.31	5.08	-72.86
CC1=CC=C(C(CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572807	0	56	0.0	-47.78	425.53	11.57	-36.21
CCC[C@@H](NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572808	0	51	0.0	-68.23	393.20	7.67	-60.56
CC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)O1	REAL300012572809	0	52	0.0	-69.28	416.78	9.05	-60.23
C=CCCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572810	0	52	0.0	-65.80	406.39	8.24	-57.56
CC1=CC=C(C(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572811	0	51	0.0	-69.33	417.03	6.93	-62.40
CC1=CC=C(C(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572812	0	52	0.0	-81.25	409.67	6.40	-74.85
CC1=CC=C(C(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572813	0	53	0.0	-66.81	407.41	8.08	-58.73
CC1=CC=C(C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572814	0	52	0.0	-75.05	387.35	9.33	-65.72
CC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+]2CCCC2)O1	REAL300012572815	0	51	0.0	-65.60	393.54	7.22	-58.38
CC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)O1	REAL300012572816	0	52	0.0	-65.98	416.38	9.00	-56.98
CC1=CC=C(C(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572817	0	55	0.0	-70.13	417.69	8.34	-61.79
CC1=CC=C(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572818	0	48	0.0	-62.42	361.61	7.93	-54.49
CCC[C@H](NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572819	0	51	0.0	-64.92	392.39	7.71	-57.21
CCN(C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012572820	0	51	0.0	-62.03	379.28	8.65	-53.38
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+]2CCCC2)O1	REAL300012572821	0	55	0.0	-48.66	405.98	10.28	-38.38
CC1=CC=C(C(CNC(=O)N(C)CC(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572822	0	51	0.0	-74.52	383.56	8.64	-65.88
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572823	0	54	0.0	-65.64	402.22	7.91	-57.73
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1	REAL300012572824	0	51	0.0	-62.94	381.90	9.02	-53.92
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)[NH+]2CCCC2)O1	REAL300012572825	0	53	0.0	-72.08	414.24	4.91	-67.17
CC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[NH+]2CCCC2)O1	REAL300012572826	0	61	0.0	-68.20	454.21	8.16	-60.04
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)[NH+]2CCCC2)O1	REAL300012572827	0	55	0.0	-71.89	416.92	8.64	-63.25
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)[NH+]2CCCC2)O1	REAL300012572828	0	58	0.0	-72.72	417.23	9.38	-63.34
COCCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572829	0	52	0.0	-65.68	405.52	6.04	-59.64
CC1=CC=C(C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572830	0	58	0.0	-64.78	439.59	11.96	-52.82
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)[NH+]2CCCC2)O1	REAL300012572831	0	55	0.0	-72.94	418.40	9.32	-63.62
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)[NH+]2CCCC2)O1	REAL300012572832	0	52	0.0	-67.63	400.26	7.95	-59.68
CC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[NH+]2CCCC2)O1	REAL300012572833	0	61	0.0	-68.66	455.19	8.16	-60.50
CC1=CC=C(C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572834	0	50	0.0	-78.53	381.54	5.30	-73.23
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOC2)[NH+]2CCCC2)O1	REAL300012572835	0	53	0.0	-68.52	398.48	5.95	-62.57
CC1=CC=C(C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572836	0	53	0.0	-80.16	393.02	9.95	-70.21
CC1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)[NH+]2CCCC2)O1	REAL300012572837	0	51	0.0	-76.15	385.18	7.69	-68.46
CC1=CC=C(C(CNC(=O)N2CC(C)CCC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572838	0	55	0.0	-74.15	411.63	10.67	-63.48
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)[NH+]2CCCC2)O1	REAL300012572839	0	58	0.0	-65.67	445.68	10.34	-55.33
CC1=CC=C(C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572840	0	59	0.0	-65.73	440.06	10.79	-54.94
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+]2CCCC2)O1	REAL300012572841	0	52	0.0	-69.21	391.84	7.80	-61.41
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+]2CCCC2)O1	REAL300012572842	0	58	0.0	-66.95	425.16	9.20	-57.75
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+]2CCCC2)O1	REAL300012572843	0	52	0.0	-69.21	391.84	7.80	-61.41
CC1=CC=C(C(CNC(=O)N2CCC(C)C2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572844	0	52	0.0	-76.25	392.21	9.13	-67.12
C=CCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572845	0	49	0.0	-65.16	385.12	7.43	-57.73
CC1=CC=C(C(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572846	0	59	0.0	-68.80	445.08	8.10	-60.70
CC1=CC=C(C(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)[NH+]2CCCC2)O1	REAL300012572847	0	59	0.0	-49.04	426.03	10.57	-38.47
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)[NH+]2CCCC2)O1	REAL300012572848	0	59	0.0	-72.30	430.31	7.92	-64.38
CC1=CC=C(C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572849	0	53	0.0	-51.42	402.25	9.82	-41.60
CC1=CC=C(C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572850	0	59	0.0	-65.73	440.06	10.79	-54.94
COC1CC(NC(=O)NCC(C2=CC=C(C)O2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012572851	0	53	0.0	-74.84	415.44	6.58	-68.26
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)[NH+]2CCCC2)O1	REAL300012572852	0	49	0.0	-70.88	390.40	7.64	-63.24
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=C(C)O2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012572853	0	53	0.0	-67.86	405.13	6.89	-60.97
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1	REAL300012572854	0	55	0.0	-76.44	403.48	10.50	-65.94
CC1=CC=C(C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572855	0	48	0.0	-59.82	387.77	7.69	-52.13
CC1=CC=C(C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572856	0	56	0.0	-67.72	423.40	6.60	-61.12
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])COC2)[NH+]2CCCC2)O1	REAL300012572857	0	47	0.0	-66.34	372.80	4.65	-61.69
CC1=CC=C(C(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572858	0	52	0.0	-69.96	422.39	8.97	-60.99
CC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+]2CCCC2)O1	REAL300012572859	0	54	0.0	-66.24	390.78	7.89	-58.35
CC1=CC=C(C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572860	0	50	0.0	-73.72	385.91	9.99	-63.73
CC1=CC=C(C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572861	0	53	0.0	-72.41	402.96	9.40	-63.01
CC1=CC=C(C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572862	0	58	0.0	-36.60	438.54	12.68	-23.92
CC1=CC=C(C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572863	0	61	0.0	-65.67	451.72	10.22	-55.45
CC1=CC=C(C(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572864	0	58	0.0	-65.49	461.42	10.70	-54.79
CC1=CC=C(C(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572865	0	58	0.0	-68.85	452.68	10.72	-58.13
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)[NH+]2CCCC2)O1	REAL300012572866	0	59	0.0	-71.36	443.13	9.54	-61.82
CC1=CC=C(C(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572867	0	61	0.0	-68.78	451.78	10.18	-58.60
CC1=CC=C(C(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572868	0	61	0.0	-65.82	451.79	10.18	-55.64
CC1=CC=C(C(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572869	0	59	0.0	-35.47	432.72	10.79	-24.68
CC1=CC=C(C(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572870	0	59	0.0	-78.59	429.26	10.51	-68.08
C=CCSCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572871	0	53	0.0	-63.02	430.06	8.71	-54.31
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1	REAL300012572872	0	54	0.0	-64.74	397.65	9.60	-55.14
COC1(C(NC(=O)NCC(C2=CC=C(C)O2)[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012572873	0	56	0.0	-62.04	419.25	6.55	-55.49
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)[NH+]2CCCC2)O1	REAL300012572874	0	52	0.0	-67.57	412.09	8.34	-59.23
CC1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572876	0	49	0.0	-66.87	386.21	8.57	-58.30
CC1=CC=C(C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572877	0	51	0.0	-49.35	388.05	9.23	-40.12
CC1=CC=C(C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572878	0	55	0.0	-71.06	411.93	9.75	-61.31
CC1=CC=C(C(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572879	0	59	0.0	-77.40	427.39	11.49	-65.91
CC1=CC=C(C(CNC(=O)NC(CCC(C)C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572880	0	57	0.0	-66.04	432.65	8.98	-57.06
CC1=CC=C(C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572881	0	56	0.0	-48.88	428.21	10.12	-38.76
CC1=CC=C(C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572882	0	56	0.0	-67.72	423.40	6.60	-61.12
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(C)O2)[NH+]2CCCC2)C1	REAL300012572883	0	53	0.0	-67.32	422.25	9.97	-57.35
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)[NH+]2CCCC2)O1	REAL300012572884	0	56	0.0	-72.68	406.97	9.70	-62.98
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)[NH+]2CCCC2)O1	REAL300012572885	0	53	0.0	-74.26	394.58	8.86	-65.40
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)[NH+]2CCCC2)O1	REAL300012572886	0	56	0.0	-71.98	415.28	9.20	-62.78
CC1=CC=C(C(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572887	0	58	0.0	-68.12	438.51	11.81	-56.31
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCC2)[NH+]2CCCC2)O1	REAL300012572888	0	55	0.0	-66.27	408.25	8.50	-57.77
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572889	0	52	0.0	-68.73	410.21	6.14	-62.59
CC1=CC=C(C(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)[NH+]2CCCC2)O1	REAL300012572890	0	52	0.0	-74.37	395.09	8.65	-65.72
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+]2CCCC2)O1	REAL300012572891	0	55	0.0	-48.38	429.01	11.73	-36.65
CC1=CC=C(C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572892	0	55	0.0	-51.41	419.35	9.60	-41.81
CC1=CC=C(C(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572893	0	52	0.0	-72.15	401.62	9.90	-62.25
CC1=CC=C(C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572894	0	49	0.0	-73.85	391.27	8.94	-64.91
CC1=CC=C(C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572895	0	52	0.0	-68.25	420.79	8.92	-59.33
CC1=CC=C(C(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572896	0	52	0.0	-68.03	400.03	9.49	-58.54
CC1=CC=C(C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572897	0	52	0.0	-68.25	420.79	8.92	-59.33
CC1=CC=C(C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572898	0	56	0.0	-75.62	416.80	9.88	-65.74
COCCCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572899	0	55	0.0	-65.33	427.26	6.75	-58.58
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1	REAL300012572900	0	54	0.0	-64.67	404.68	9.81	-54.86
CCOCC(NC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300012572901	0	52	0.0	-66.65	405.66	6.18	-60.47
CC1=CC=C(C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572902	0	57	0.0	-68.63	421.86	9.31	-59.32
CC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCO2)[NH+]2CCCC2)O1	REAL300012572903	0	56	0.0	-65.88	429.42	7.06	-58.82
CC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)[NH+]2CCCC2)O1	REAL300012572904	0	56	0.0	-68.61	426.22	10.17	-58.44
CC1=CC=C(C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572905	0	53	0.0	-77.02	392.73	8.55	-68.47
CC1=CC=C(C(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572906	0	49	0.0	-68.26	392.95	7.41	-60.85
CC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)[NH+]2CCCC2)O1	REAL300012572907	0	52	0.0	-44.67	410.30	9.85	-34.82
CC1=CC=C(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300012572908	0	48	0.0	-64.44	361.66	7.90	-56.54
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(C)O2)[NH+]2CCCC2)C1	REAL300012572909	0	56	0.0	-66.33	433.30	8.83	-57.50
C=CCOCC(NC(=O)NCC[N@@H+](C)C(C)CC)C(=O)[O-]	REAL300012572910	0	48	0.0	-70.14	370.33	4.78	-65.36
C=CCOCC(NC(=O)NCC[N@H+](C)C(C)CC)C(=O)[O-]	REAL300012572910	1	48	0.0	-69.59	370.84	4.76	-64.83
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012572911	0	51	0.0	-71.08	368.36	4.79	-66.29
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012572911	1	51	0.0	-72.10	369.49	4.70	-67.40
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012572912	0	47	0.0	-64.58	376.35	7.16	-57.42
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012572912	1	47	0.0	-64.43	373.19	7.12	-57.31
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012572913	0	47	0.0	-64.44	386.24	7.61	-56.83
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012572913	1	47	0.0	-63.63	382.48	7.59	-56.04
CCC(C)[N@H+](C)CCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012572914	0	51	0.0	-77.41	367.65	7.00	-70.41
CCC(C)[N@@H+](C)CCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012572914	1	51	0.0	-77.19	367.24	6.95	-70.24
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012572915	0	51	0.0	-67.66	368.32	4.75	-62.91
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012572915	1	51	0.0	-66.07	368.25	4.81	-61.26
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012572916	0	50	0.0	-66.19	386.48	7.80	-58.39
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012572916	1	50	0.0	-66.11	387.30	7.69	-58.42
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012572917	0	52	0.0	-69.39	399.34	6.96	-62.43
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012572917	1	52	0.0	-68.74	396.25	6.93	-61.81
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012572918	0	53	0.0	-69.67	402.61	8.42	-61.25
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012572918	1	53	0.0	-69.25	403.17	8.40	-60.85
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012572919	0	53	0.0	-70.52	402.06	8.25	-62.27
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012572919	1	53	0.0	-69.62	398.32	8.22	-61.40
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012572920	0	51	0.0	-67.53	409.18	6.90	-60.63
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012572920	1	51	0.0	-66.62	405.42	6.88	-59.74
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012572921	0	53	0.0	-69.43	390.01	8.04	-61.39
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012572921	1	53	0.0	-69.32	392.79	8.05	-61.27
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012572922	0	51	0.0	-67.86	399.36	6.42	-61.44
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012572922	1	51	0.0	-67.75	396.22	6.36	-61.39
CCC(C)[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012572923	0	53	0.0	-52.44	423.17	10.78	-41.66
CCC(C)[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012572923	1	53	0.0	-53.05	420.03	10.74	-42.31
CCCN(C(=O)NCC[N@H+](C)C(C)CC)C(COC)C(=O)[O-]	REAL300012572924	0	53	0.0	-67.20	382.01	7.14	-60.06
CCCN(C(=O)NCC[N@@H+](C)C(C)CC)C(COC)C(=O)[O-]	REAL300012572924	1	53	0.0	-67.73	381.19	7.10	-60.63
CCCN(C(=O)NCC[N@H+](C)C(C)CC)C(CC)C(=O)[O-]	REAL300012572925	0	52	0.0	-65.74	370.06	8.35	-57.39
CCCN(C(=O)NCC[N@@H+](C)C(C)CC)C(CC)C(=O)[O-]	REAL300012572925	1	52	0.0	-66.37	369.55	8.38	-57.99
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012572926	0	47	0.0	-66.43	380.37	7.56	-58.87
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012572926	1	47	0.0	-66.17	377.28	7.52	-58.65
CCC(C)[N@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012572927	0	45	0.0	-74.67	337.28	7.89	-66.78
CCC(C)[N@@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012572927	1	45	0.0	-75.09	334.52	8.08	-67.01
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012572928	0	53	0.0	-72.56	362.69	7.85	-64.71
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012572928	1	53	0.0	-71.20	359.59	7.80	-63.40
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012572929	0	50	0.0	-69.97	382.27	7.96	-62.01
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012572929	1	50	0.0	-68.83	382.56	8.00	-60.83
CCC(C)[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012572930	0	50	0.0	-54.47	384.44	9.78	-44.69
CCC(C)[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012572930	1	50	0.0	-55.11	381.28	9.73	-45.38
CCC(C)[N@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012572931	0	47	0.0	-70.11	363.64	7.02	-63.09
CCC(C)[N@@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012572931	1	47	0.0	-68.50	360.29	7.07	-61.43
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012572932	0	47	0.0	-69.78	363.64	7.04	-62.74
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012572932	1	47	0.0	-69.54	360.49	6.99	-62.55
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012572933	0	50	0.0	-69.97	382.27	7.96	-62.01
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012572933	1	50	0.0	-68.83	382.56	8.00	-60.83
CCC(C)[N@H+](C)CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012572934	0	51	0.0	-76.58	371.78	9.98	-66.60
CCC(C)[N@@H+](C)CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012572934	1	51	0.0	-76.05	372.09	9.99	-66.06
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012572935	0	44	0.0	-66.88	351.01	6.13	-60.75
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012572935	1	44	0.0	-67.69	354.75	6.16	-61.53
CCC(C)[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012572936	0	50	0.0	-52.47	401.17	10.30	-42.17
CCC(C)[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012572936	1	50	0.0	-53.09	398.02	10.25	-42.84
CCC(C)[N@H+](C)CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012572937	0	54	0.0	-69.80	414.11	8.05	-61.75
CCC(C)[N@@H+](C)CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012572937	1	54	0.0	-69.81	411.00	8.02	-61.79
CCC(C)[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012572938	0	58	0.0	-56.90	443.43	8.39	-48.51
CCC(C)[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012572938	1	58	0.0	-56.61	440.29	8.34	-48.27
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012572939	0	47	0.0	-66.28	384.94	7.67	-58.61
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012572939	1	47	0.0	-66.07	381.84	7.62	-58.45
CCC(C)[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012572940	0	50	0.0	-52.72	390.84	9.85	-42.87
CCC(C)[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012572940	1	50	0.0	-53.36	387.70	9.80	-43.56
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012572941	0	51	0.0	-71.79	383.01	8.36	-63.43
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012572941	1	51	0.0	-69.49	378.53	8.17	-61.32
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012572942	0	47	0.0	-68.77	370.94	7.23	-61.54
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012572942	1	47	0.0	-68.31	370.82	7.20	-61.11
CCC(C)[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012572943	0	50	0.0	-69.20	371.80	7.78	-61.42
CCC(C)[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012572943	1	50	0.0	-69.30	368.15	7.74	-61.56
CCCCCCC(C)(NC(=O)NCC[N@H+](C)C(C)CC)C(=O)[O-]	REAL300012572944	0	58	0.0	-66.95	414.49	8.38	-58.57
CCCCCCC(C)(NC(=O)NCC[N@@H+](C)C(C)CC)C(=O)[O-]	REAL300012572944	1	58	0.0	-67.53	413.98	8.41	-59.12
CCC(C)[N@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012572945	0	53	0.0	-68.26	391.36	9.99	-58.27
CCC(C)[N@@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012572945	1	53	0.0	-67.49	391.37	9.85	-57.64
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012572946	0	47	0.0	-66.43	380.37	7.56	-58.87
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012572946	1	47	0.0	-66.17	377.28	7.52	-58.65
CCC(C)[N@H+](C)CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012572947	0	53	0.0	-73.20	362.94	8.42	-64.78
CCC(C)[N@@H+](C)CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012572947	1	53	0.0	-73.46	362.76	8.58	-64.88
CCC(C)[N@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012572948	0	53	0.0	-55.14	403.18	10.53	-44.61
CCC(C)[N@@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012572948	1	53	0.0	-56.23	403.69	10.51	-45.72
CCC(C)[N@H+](C)CCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012572949	0	50	0.0	-71.79	372.35	9.29	-62.50
CCC(C)[N@@H+](C)CCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012572949	1	50	0.0	-68.39	371.20	8.85	-59.54
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012572950	0	51	0.0	-72.78	375.02	8.14	-64.64
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012572950	1	51	0.0	-73.06	375.60	8.12	-64.94
CCC(C)[N@H+](C)CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012572951	0	54	0.0	-76.56	419.60	7.99	-68.57
CCC(C)[N@@H+](C)CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012572951	1	54	0.0	-75.24	416.50	7.94	-67.30
CCC(C)[N@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012572952	0	53	0.0	-55.14	403.18	10.53	-44.61
CCC(C)[N@@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012572952	1	53	0.0	-56.23	403.69	10.51	-45.72
CCCCCC(NC(=O)NCC[N@H+](C)C(C)CC)C(=O)[O-]	REAL300012572953	0	52	0.0	-67.20	388.62	7.31	-59.89
CCCCCC(NC(=O)NCC[N@@H+](C)C(C)CC)C(=O)[O-]	REAL300012572953	1	52	0.0	-68.25	388.35	7.28	-60.97
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300012572954	0	56	0.0	-67.55	389.70	7.69	-59.86
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300012572954	1	56	0.0	-67.02	389.83	7.71	-59.31
CCC(C)[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012572955	0	51	0.0	-53.69	366.55	6.66	-47.03
CCC(C)[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012572955	1	51	0.0	-54.80	370.29	6.68	-48.12
CCC(C)[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012572956	0	50	0.0	-67.16	403.40	8.79	-58.37
CCC(C)[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012572956	1	50	0.0	-66.02	399.97	8.78	-57.24
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012572957	0	47	0.0	-71.07	371.96	7.44	-63.63
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012572957	1	47	0.0	-70.51	371.34	7.46	-63.05
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012572958	0	47	0.0	-75.04	364.42	7.11	-67.93
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012572958	1	47	0.0	-75.07	364.98	7.08	-67.99
CCC(C)[N@H+](C)CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012572959	0	51	0.0	-56.95	375.21	9.44	-47.51
CCC(C)[N@@H+](C)CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012572959	1	51	0.0	-57.20	375.44	9.43	-47.77
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012572960	0	50	0.0	-72.26	399.83	8.25	-64.01
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012572960	1	50	0.0	-72.97	397.56	8.19	-64.78
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012572961	0	56	0.0	-72.44	425.78	10.06	-62.38
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012572961	1	56	0.0	-72.92	426.38	9.99	-62.93
CCC(C)[N@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012572962	0	56	0.0	-69.14	404.18	8.14	-61.00
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012572962	1	56	0.0	-67.99	404.51	8.18	-59.81
CCC(C)[N@H+](C)CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012572963	0	53	0.0	-55.79	397.35	10.25	-45.54
CCC(C)[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012572963	1	53	0.0	-55.03	393.24	10.54	-44.49
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012572964	0	50	0.0	-69.48	381.43	7.70	-61.78
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012572964	1	50	0.0	-68.98	382.00	7.68	-61.30
CCC(C)[N@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012572965	0	43	0.0	-62.40	339.54	5.72	-56.68
CCC(C)[N@@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012572965	1	43	0.0	-62.49	340.29	5.61	-56.88
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012572966	0	53	0.0	-70.54	405.76	9.36	-61.18
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012572966	1	53	0.0	-70.42	406.57	9.26	-61.16
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012572967	0	48	0.0	-68.41	354.67	6.85	-61.56
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012572967	1	48	0.0	-67.19	351.57	6.82	-60.37
CCOCC(C(=O)[O-])N(C)C(=O)NCC[N@H+](C)C(C)CC	REAL300012572968	0	50	0.0	-66.44	367.35	6.32	-60.12
CCOCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+](C)C(C)CC	REAL300012572968	1	50	0.0	-66.57	366.23	6.25	-60.32
CCC(C)[N@H+](C)CCNC(=O)N(CC(=O)[O-])C(CC)C1=CC=CC=C1	REAL300012572969	0	56	0.0	-53.43	411.06	10.78	-42.65
CCC(C)[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C(CC)C1=CC=CC=C1	REAL300012572969	1	56	0.0	-54.53	405.88	10.90	-43.63
CCC(C)[N@H+](C)CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012572970	0	46	0.0	-54.43	361.41	7.89	-46.54
CCC(C)[N@@H+](C)CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012572970	1	46	0.0	-55.47	361.92	7.86	-47.61
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012572971	0	53	0.0	-69.42	376.91	7.22	-62.20
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012572971	1	53	0.0	-69.65	380.65	7.25	-62.40
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012572972	0	50	0.0	-64.89	414.85	8.99	-55.90
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012572972	1	50	0.0	-65.81	416.25	8.96	-56.85
CCC(C)[N@H+](C)CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012572973	0	54	0.0	-68.13	396.66	7.74	-60.39
CCC(C)[N@@H+](C)CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012572973	1	54	0.0	-68.10	393.16	7.71	-60.39
CCC(C)[N@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012572974	0	54	0.0	-74.88	402.68	10.98	-63.90
CCC(C)[N@@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012572974	1	54	0.0	-75.66	401.68	11.14	-64.52
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012572975	0	48	0.0	-71.46	348.40	4.67	-66.79
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012572975	1	48	0.0	-70.22	345.30	4.63	-65.59
CCC(C)[N@H+](C)CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012572976	0	53	0.0	-48.58	396.10	10.81	-37.77
CCC(C)[N@@H+](C)CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012572976	1	53	0.0	-72.12	390.95	10.58	-61.54
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012572977	0	51	0.0	-68.89	392.54	6.36	-62.53
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012572977	1	51	0.0	-68.77	389.44	6.32	-62.45
CCC(C)[N@H+](C)CCNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012572978	0	50	0.0	-73.09	362.67	5.52	-67.57
CCC(C)[N@@H+](C)CCNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012572978	1	50	0.0	-72.41	363.18	5.49	-66.92
CCC(C)[N@H+](C)CCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012572979	0	53	0.0	-66.82	387.12	7.10	-59.72
CCC(C)[N@@H+](C)CCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012572979	1	53	0.0	-66.45	387.63	7.07	-59.38
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012572980	0	50	0.0	-73.89	373.52	3.15	-70.74
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012572980	1	50	0.0	-72.62	370.42	3.11	-69.51
CCC(C)[N@H+](C)CCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012572981	0	52	0.0	-65.56	372.67	8.32	-57.24
CCC(C)[N@@H+](C)CCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012572981	1	52	0.0	-65.18	373.69	8.40	-56.78
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+](C)C(C)CC	REAL300012572982	0	53	0.0	-75.78	374.35	9.13	-66.65
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+](C)C(C)CC	REAL300012572982	1	53	0.0	-76.42	374.27	9.10	-67.32
CCC(C)[N@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012572983	0	53	0.0	-45.97	396.30	10.63	-35.34
CCC(C)[N@@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012572983	1	53	0.0	-46.61	391.78	10.84	-35.77
CCC(C)[N@H+](C)CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012572984	0	53	0.0	-67.69	405.18	9.24	-58.45
CCC(C)[N@@H+](C)CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012572984	1	53	0.0	-66.52	402.08	9.19	-57.33
CCC(C)[N@H+](C)CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300012572985	0	53	0.0	-70.71	388.45	8.72	-61.99
CCC(C)[N@@H+](C)CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300012572985	1	53	0.0	-69.49	385.30	8.67	-60.82
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012572986	0	57	0.0	-73.91	413.04	6.25	-67.66
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012572986	1	57	0.0	-72.65	409.88	6.20	-66.45
CCC(C)[N@H+](C)CCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012572987	0	54	0.0	-70.83	394.38	6.22	-64.61
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012572987	1	54	0.0	-70.62	394.45	6.26	-64.36
CCC(C)[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012572988	0	51	0.0	-53.69	366.55	6.66	-47.03
CCC(C)[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012572988	1	51	0.0	-54.80	370.29	6.68	-48.12
CCC(C)[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012572989	0	53	0.0	-53.99	379.17	9.05	-44.94
CCC(C)[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012572989	1	53	0.0	-54.72	376.03	9.01	-45.71
CCC(C)[N@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012572990	0	53	0.0	-72.14	370.57	7.53	-64.61
CCC(C)[N@@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012572990	1	53	0.0	-71.46	370.46	7.55	-63.91
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012572991	0	51	0.0	-72.01	392.95	6.41	-65.60
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012572991	1	51	0.0	-71.22	390.10	6.28	-64.94
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012572992	0	47	0.0	-70.14	375.12	7.50	-62.64
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012572992	1	47	0.0	-69.58	374.67	7.52	-62.06
CCC(C)[N@H+](C)CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012572993	0	48	0.0	-59.09	357.14	7.50	-51.59
CCC(C)[N@@H+](C)CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012572993	1	48	0.0	-59.70	357.04	7.47	-52.23
CCC(C)[N@H+](C)CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012572994	0	44	0.0	-69.11	338.23	6.58	-62.53
CCC(C)[N@@H+](C)CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012572994	1	44	0.0	-68.32	336.70	6.71	-61.61
CCC(C)[N@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012572995	0	51	0.0	-72.05	393.09	6.32	-65.73
CCC(C)[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012572995	1	51	0.0	-71.15	389.45	6.31	-64.84
CCC(C)[N@H+](C)CCNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012572996	0	53	0.0	-76.26	392.02	8.75	-67.51
CCC(C)[N@@H+](C)CCNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012572996	1	53	0.0	-75.33	389.26	8.75	-66.58
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012572997	0	54	0.0	-72.70	411.49	7.32	-65.38
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012572997	1	54	0.0	-71.99	412.06	7.30	-64.69
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012572998	0	56	0.0	-73.11	384.80	8.07	-65.04
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012572998	1	56	0.0	-71.82	381.66	8.04	-63.78
CCC(C)[N@H+](C)CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012572999	0	53	0.0	-67.57	405.80	8.69	-58.88
CCC(C)[N@@H+](C)CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012572999	1	53	0.0	-66.21	402.65	8.65	-57.56
CCC(C)[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012573000	0	52	0.0	-73.30	395.89	8.44	-64.86
CCC(C)[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012573000	1	52	0.0	-72.71	396.29	8.47	-64.24
CCC(C)[N@H+](C)CCNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012573001	0	51	0.0	-74.20	373.00	6.38	-67.82
CCC(C)[N@@H+](C)CCNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012573001	1	51	0.0	-74.23	376.74	6.41	-67.82
CCC(C)[N@H+](C)CCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012573002	0	54	0.0	-67.55	395.00	5.84	-61.71
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012573002	1	54	0.0	-67.09	395.57	5.82	-61.27
C=C(Cl)CC(NC(=O)NCC[N@@H+](C)C(C)CC)C(=O)[O-]	REAL300012573003	0	44	0.0	-64.46	352.31	6.07	-58.39
C=C(Cl)CC(NC(=O)NCC[N@H+](C)C(C)CC)C(=O)[O-]	REAL300012573003	1	44	0.0	-64.01	352.84	6.04	-57.97
CCC(C)[N@H+](C)CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012573004	0	53	0.0	-68.17	395.47	8.24	-59.93
CCC(C)[N@@H+](C)CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012573004	1	53	0.0	-66.82	392.32	8.19	-58.63
CCC(C)[N@H+](C)CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012573005	0	44	0.0	-68.65	339.79	6.71	-61.94
CCC(C)[N@@H+](C)CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012573005	1	44	0.0	-68.33	336.96	6.68	-61.65
CCC(C)[N@H+](C)CCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012573006	0	54	0.0	-69.90	395.31	5.76	-64.14
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012573006	1	54	0.0	-68.22	391.61	6.39	-61.83
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012573007	0	51	0.0	-71.08	368.36	4.79	-66.29
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012573007	1	51	0.0	-72.10	369.49	4.70	-67.40
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012573008	0	47	0.0	-69.78	363.64	7.04	-62.74
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012573008	1	47	0.0	-69.54	360.49	6.99	-62.55
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012573009	0	50	0.0	-68.56	398.73	8.00	-60.56
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012573009	1	50	0.0	-68.11	399.34	7.98	-60.13
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012573010	0	46	0.0	-67.28	372.48	5.14	-62.14
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012573010	1	46	0.0	-66.30	368.50	5.11	-61.19
CCC(C)[N@H+](C)CCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012573011	0	55	0.0	-68.27	405.91	7.78	-60.49
CCC(C)[N@@H+](C)CCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012573011	1	55	0.0	-67.64	406.42	7.75	-59.89
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012573012	0	53	0.0	-67.59	412.15	8.35	-59.24
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012573012	1	53	0.0	-67.18	412.71	8.34	-58.84
CCC(C)[N@H+](C)CCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012573013	0	51	0.0	-72.55	380.03	5.32	-67.23
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012573013	1	51	0.0	-71.41	380.36	5.37	-66.04
CCC(C)[N@H+](C)CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012573014	0	50	0.0	-68.57	392.30	8.04	-60.53
CCC(C)[N@@H+](C)CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012573014	1	50	0.0	-67.40	389.25	8.00	-59.40
CCC(C)CC(NC(=O)NCC[N@H+](C)C(C)CC)C(=O)[O-]	REAL300012573015	0	52	0.0	-68.40	380.83	6.86	-61.54
CCC(C)CC(NC(=O)NCC[N@@H+](C)C(C)CC)C(=O)[O-]	REAL300012573015	1	52	0.0	-68.48	380.63	6.97	-61.51
CCC(C)[N@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012573016	0	50	0.0	-67.39	391.41	8.05	-59.34
CCC(C)[N@@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012573016	1	50	0.0	-67.25	388.30	8.01	-59.24
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012573017	0	53	0.0	-72.63	400.36	9.17	-63.46
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012573017	1	53	0.0	-72.54	401.53	9.16	-63.38
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012573018	0	51	0.0	-72.27	403.31	6.99	-65.28
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012573018	1	51	0.0	-72.41	403.89	6.96	-65.45
CCC(C)[N@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012573019	0	45	0.0	-74.67	337.28	7.89	-66.78
CCC(C)[N@@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012573019	1	45	0.0	-75.09	334.52	8.08	-67.01
CCC(C)[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012573020	0	50	0.0	-69.20	371.80	7.78	-61.42
CCC(C)[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012573020	1	50	0.0	-69.30	368.15	7.74	-61.56
CCC(C)[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012573021	0	43	0.0	-64.03	336.39	7.27	-56.76
CCC(C)[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012573021	1	43	0.0	-63.65	336.91	7.24	-56.41
CCC(C)[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012573022	0	43	0.0	-64.03	336.39	7.27	-56.76
CCC(C)[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012573022	1	43	0.0	-63.65	336.91	7.24	-56.41
CCC(C)[N@H+](C)CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012573023	0	56	0.0	-54.94	410.12	5.23	-49.71
CCC(C)[N@@H+](C)CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012573023	1	56	0.0	-56.06	413.86	5.26	-50.80
CCC(C)[N@H+](C)CCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012573024	1	60	0.0	-54.42	430.11	4.88	-49.54
CCC(C)[N@@H+](C)CCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012573024	1	60	0.0	-54.83	435.88	5.09	-49.74
CCC(C)[N@H+](C)CCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012573025	0	51	0.0	-49.35	377.17	9.88	-39.47
CCC(C)[N@@H+](C)CCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012573025	1	51	0.0	-52.68	381.57	9.71	-42.97
CCC(C)[N@H+](C)CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012573026	0	54	0.0	-58.01	387.37	10.08	-47.93
CCC(C)[N@@H+](C)CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012573026	1	54	0.0	-60.67	389.93	9.99	-50.68
CCC(C)[N@H+](C)CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012573027	0	52	0.0	-69.40	383.61	8.21	-61.19
CCC(C)[N@@H+](C)CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012573027	1	52	0.0	-68.76	380.38	8.15	-60.61
CCC(C)[N@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012573028	0	47	0.0	-70.11	363.64	7.02	-63.09
CCC(C)[N@@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012573028	1	47	0.0	-68.50	360.29	7.07	-61.43
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012573029	0	50	0.0	-65.20	398.52	8.10	-57.10
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012573029	1	50	0.0	-65.17	399.33	8.00	-57.17
CCC(C)[N@H+](C)CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012573030	0	52	0.0	-70.10	399.89	7.03	-63.07
CCC(C)[N@@H+](C)CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012573030	1	52	0.0	-69.97	400.65	6.94	-63.03
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012573031	0	46	0.0	-71.52	372.22	5.04	-66.48
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012573031	1	46	0.0	-70.76	369.31	4.93	-65.83
CCC(C)[N@H+](C)CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012573032	0	47	0.0	-65.50	391.98	6.79	-58.71
CCC(C)[N@@H+](C)CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012573032	1	47	0.0	-64.56	388.00	6.74	-57.82
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012573033	0	44	0.0	-65.71	372.05	6.76	-58.95
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012573033	1	44	0.0	-66.03	372.87	6.69	-59.34
CCC(C)[N@H+](C)CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012573034	0	47	0.0	-84.67	356.73	4.45	-80.22
CCC(C)[N@@H+](C)CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012573034	1	47	0.0	-84.52	356.24	4.44	-80.08
CCC(C)[N@H+](C)CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012573035	0	48	0.0	-67.68	353.26	5.90	-61.78
CCC(C)[N@@H+](C)CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012573035	1	48	0.0	-67.62	353.40	5.89	-61.73
CCC(C)[N@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012573036	0	47	0.0	-69.76	363.64	7.03	-62.73
CCC(C)[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012573036	1	47	0.0	-69.03	360.31	7.07	-61.96
CCC(C)[N@H+](C)CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012573037	0	50	0.0	-70.69	369.45	6.37	-64.32
CCC(C)[N@@H+](C)CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012573037	1	50	0.0	-70.24	370.02	6.33	-63.91
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012573038	0	48	0.0	-72.71	360.85	2.95	-69.76
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012573038	1	48	0.0	-72.31	360.98	2.96	-69.35
CCC(C)[N@H+](C)CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012573039	0	56	0.0	-68.81	406.58	6.11	-62.70
CCC(C)[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012573039	1	56	0.0	-69.82	407.14	6.17	-63.65
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012573040	0	53	0.0	-71.10	369.37	7.42	-63.68
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012573040	1	53	0.0	-71.57	369.95	7.39	-64.18
CCC(C)[N@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012573041	0	53	0.0	-68.26	391.36	9.99	-58.27
CCC(C)[N@@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012573041	1	53	0.0	-67.49	391.37	9.85	-57.64
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012573042	0	57	0.0	-72.55	412.28	9.36	-63.19
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012573042	1	57	0.0	-72.69	409.35	9.35	-63.34
CCC(C)[N@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012573043	0	56	0.0	-69.45	408.18	6.21	-63.24
CCC(C)[N@@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012573043	1	56	0.0	-69.78	408.58	6.14	-63.64
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012573044	0	61	0.0	-72.62	461.26	9.36	-63.26
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012573044	1	61	0.0	-77.21	463.28	9.29	-67.92
CCC(C)[N@H+](C)CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012573045	0	55	0.0	-57.84	402.47	10.58	-47.26
CCC(C)[N@@H+](C)CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012573045	1	55	0.0	-58.42	402.65	10.54	-47.88
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012573046	0	48	0.0	-69.40	350.95	3.92	-65.48
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012573046	1	48	0.0	-67.92	351.19	3.96	-63.96
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012573047	0	51	0.0	-77.31	391.93	7.08	-70.23
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012573047	1	51	0.0	-77.50	395.87	7.11	-70.39
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012573048	0	53	0.0	-68.27	397.44	8.37	-59.90
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012573048	1	53	0.0	-67.32	396.87	8.30	-59.02
CCC(C)[N@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012573049	0	54	0.0	-68.44	392.09	8.75	-59.69
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012573049	1	54	0.0	-68.81	397.10	8.07	-60.74
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012573050	0	60	0.0	-71.10	420.84	7.79	-63.31
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012573050	1	60	0.0	-69.78	417.74	7.77	-62.01
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012573051	0	53	0.0	-69.42	376.91	7.22	-62.20
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012573051	1	53	0.0	-69.65	380.65	7.25	-62.40
CCC(C)[N@H+](C)CCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012573052	0	54	0.0	-71.88	398.05	6.13	-65.75
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012573052	1	54	0.0	-72.73	401.79	6.15	-66.58
CCC(C)[N@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012573053	0	54	0.0	-47.30	369.69	8.69	-38.61
CCC(C)[N@@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012573053	1	54	0.0	-46.94	370.47	8.61	-38.33
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012573054	0	54	0.0	-71.93	373.82	5.90	-66.03
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012573054	1	54	0.0	-71.20	374.07	5.95	-65.25
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012573055	0	53	0.0	-70.40	420.43	9.22	-61.18
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012573055	1	53	0.0	-69.87	420.97	9.19	-60.68
CCC(C)[N@H+](C)CCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012573056	0	54	0.0	-58.97	392.73	9.99	-48.98
CCC(C)[N@@H+](C)CCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012573056	1	54	0.0	-81.55	388.59	10.46	-71.09
CCC(C)[N@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012573057	0	54	0.0	-68.44	392.09	8.75	-59.69
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012573057	1	54	0.0	-68.81	397.10	8.07	-60.74
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012573058	0	50	0.0	-71.60	388.69	8.03	-63.57
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012573058	1	50	0.0	-70.40	388.96	8.06	-62.34
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012573059	0	48	0.0	-74.72	358.33	4.61	-70.11
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012573059	1	48	0.0	-74.82	362.18	4.66	-70.16
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012573060	0	44	0.0	-71.28	337.01	5.69	-65.59
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012573060	1	44	0.0	-70.87	337.14	5.71	-65.16
CCC(C)[N@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012573061	0	48	0.0	-68.16	356.94	4.50	-63.66
CCC(C)[N@@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012573061	1	48	0.0	-68.73	360.17	4.53	-64.20
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012573062	0	47	0.0	-61.92	362.76	6.42	-55.50
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012573062	1	47	0.0	-67.44	366.61	6.47	-60.97
CCC(C)[N@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012573063	0	43	0.0	-62.40	339.54	5.72	-56.68
CCC(C)[N@@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012573063	1	43	0.0	-62.49	340.29	5.61	-56.88
CCC(C)[N@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012573064	0	51	0.0	-68.12	375.95	4.61	-63.51
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012573064	1	51	0.0	-70.33	378.22	4.94	-65.39
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012573065	0	47	0.0	-69.68	377.81	7.03	-62.65
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012573065	1	47	0.0	-68.84	373.88	7.01	-61.83
CCC(C)[N@H+](C)CCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012573066	0	54	0.0	-68.93	404.66	7.04	-61.89
CCC(C)[N@@H+](C)CCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012573066	1	54	0.0	-67.87	401.50	6.99	-60.88
CCC(C)[N@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012573067	0	53	0.0	-45.97	396.30	10.63	-35.34
CCC(C)[N@@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012573067	1	53	0.0	-46.61	391.78	10.84	-35.77
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012573068	0	54	0.0	-72.45	421.47	7.53	-64.92
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012573068	1	54	0.0	-72.04	421.80	7.58	-64.46
CCC(C)[N@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012573069	0	56	0.0	-69.14	404.18	8.14	-61.00
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012573069	1	56	0.0	-67.99	404.51	8.18	-59.81
CCC(C)[N@H+](C)CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012573070	0	53	0.0	-68.98	408.08	8.77	-60.21
CCC(C)[N@@H+](C)CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012573070	1	53	0.0	-69.56	405.82	8.71	-60.85
CCC(C)[N@H+](C)CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012573071	0	53	0.0	-69.69	408.62	8.81	-60.88
CCC(C)[N@@H+](C)CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012573071	1	53	0.0	-68.42	405.58	8.77	-59.65
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012573072	0	54	0.0	-70.77	386.13	7.59	-63.18
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012573072	1	54	0.0	-70.96	389.87	7.62	-63.34
CCC(C)[N@H+](C)CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012573073	0	56	0.0	-68.53	404.24	8.23	-60.30
CCC(C)[N@@H+](C)CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012573073	1	56	0.0	-67.93	404.27	8.21	-59.72
CCC(C)[N@H+](C)CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012573074	0	56	0.0	-68.34	404.35	8.22	-60.12
CCC(C)[N@@H+](C)CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012573074	1	56	0.0	-68.62	404.35	8.19	-60.43
CCC(C)[N@H+](C)CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012573075	0	54	0.0	-48.94	384.47	8.83	-40.11
CCC(C)[N@@H+](C)CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012573075	1	54	0.0	-50.81	385.86	8.75	-42.06
CCC(C)[N@H+](C)CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012573076	0	54	0.0	-76.12	380.08	8.62	-67.50
CCC(C)[N@@H+](C)CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012573076	1	54	0.0	-76.01	380.43	8.61	-67.40
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012573077	0	54	0.0	-73.79	428.00	7.58	-66.21
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012573077	1	54	0.0	-73.50	424.91	7.54	-65.96
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012573078	0	54	0.0	-68.78	414.55	7.29	-61.49
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012573078	1	54	0.0	-68.60	411.39	7.24	-61.36
C=CCSCC(NC(=O)NCC[N@@H+](C)C(C)CC)C(=O)[O-]	REAL300012573079	0	48	0.0	-65.12	381.58	6.82	-58.30
C=CCSCC(NC(=O)NCC[N@H+](C)C(C)CC)C(=O)[O-]	REAL300012573079	1	48	0.0	-64.75	382.09	6.79	-57.96
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012573080	0	51	0.0	-68.83	405.86	8.39	-60.44
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012573080	1	51	0.0	-68.86	403.64	8.32	-60.54
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012573081	0	54	0.0	-83.03	425.34	8.03	-75.00
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012573081	1	54	0.0	-82.12	422.43	7.92	-74.20
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-]	REAL300012573082	0	58	0.0	-81.85	449.14	7.27	-74.58
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-]	REAL300012573082	1	58	0.0	-81.01	446.23	7.16	-73.85
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012573083	0	51	0.0	-64.75	371.49	4.59	-60.16
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012573083	1	51	0.0	-65.03	371.69	4.60	-60.43
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012573084	0	53	0.0	-69.52	388.58	7.96	-61.56
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012573084	1	53	0.0	-68.99	388.71	7.98	-61.01
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012573085	0	54	0.0	-71.21	391.32	9.08	-62.13
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012573085	1	54	0.0	-70.70	391.89	9.06	-61.64
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012573086	0	47	0.0	-67.98	358.69	6.40	-61.58
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012573086	1	47	0.0	-73.80	360.95	6.47	-67.33
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012573088	0	59	0.0	-69.30	439.66	9.44	-59.86
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012573088	1	59	0.0	-68.12	436.56	9.40	-58.72
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012573089	0	56	0.0	-68.62	423.27	9.00	-59.62
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012573089	1	56	0.0	-68.48	420.17	8.95	-59.53
CCOC1=CC=C(C(NC(=O)NCC[N@H+](C)C(C)CC)C(=O)[O-])C=C1	REAL300012573090	0	54	0.0	-69.19	411.90	7.22	-61.97
CCOC1=CC=C(C(NC(=O)NCC[N@@H+](C)C(C)CC)C(=O)[O-])C=C1	REAL300012573090	1	54	0.0	-69.08	411.35	7.24	-61.84
CCC(C)[N@H+](C)CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012573091	0	54	0.0	-75.71	379.41	9.49	-66.22
CCC(C)[N@@H+](C)CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012573091	1	54	0.0	-76.59	380.22	9.82	-66.77
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012573092	0	54	0.0	-69.09	404.13	8.92	-60.17
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012573092	1	54	0.0	-67.86	401.04	8.88	-58.98
CCC(C)[N@H+](C)CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012573093	0	54	0.0	-73.64	402.44	8.06	-65.58
CCC(C)[N@@H+](C)CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012573093	1	54	0.0	-73.01	402.95	8.04	-64.97
CCC(C)[N@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012573094	0	50	0.0	-71.88	399.02	7.96	-63.92
CCC(C)[N@@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012573094	1	50	0.0	-71.74	395.97	7.93	-63.81
CCC(C)[N@H+](C)CCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012573095	0	52	0.0	-68.46	384.41	7.01	-61.45
CCC(C)[N@@H+](C)CCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012573095	1	52	0.0	-67.38	384.68	7.04	-60.34
CCC(C)[N@H+](C)CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012573096	0	51	0.0	-49.90	373.92	8.31	-41.59
CCC(C)[N@@H+](C)CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012573096	1	51	0.0	-51.17	370.92	8.27	-42.90
CCC(C)[N@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012573097	0	51	0.0	-68.12	375.95	4.61	-63.51
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012573097	1	51	0.0	-70.33	378.22	4.94	-65.39
CCC(C)[N@H+](C)CCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012573098	0	48	0.0	-71.86	365.88	8.03	-63.83
CCC(C)[N@@H+](C)CCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012573098	1	48	0.0	-72.53	369.50	8.06	-64.47
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012573099	0	51	0.0	-70.76	361.92	7.53	-63.23
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012573099	1	51	0.0	-73.32	359.72	7.78	-65.54
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012573100	0	51	0.0	-71.36	371.21	7.28	-64.08
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012573100	1	51	0.0	-70.21	368.11	7.24	-62.97
CCC(C)[N@H+](C)CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012573101	0	53	0.0	-68.86	394.96	9.99	-58.87
CCC(C)[N@@H+](C)CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012573101	1	53	0.0	-67.55	391.35	9.85	-57.70
CCC(C)[N@H+](C)CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012573102	0	57	0.0	-50.20	402.21	9.34	-40.86
CCC(C)[N@@H+](C)CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012573102	1	57	0.0	-49.30	399.05	9.30	-40.00
CCC(C)[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012573103	0	50	0.0	-54.47	384.44	9.78	-44.69
CCC(C)[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012573103	1	50	0.0	-55.11	381.28	9.73	-45.38
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012573104	0	57	0.0	-69.36	433.97	10.49	-58.87
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012573104	1	57	0.0	-69.24	434.14	10.42	-58.82
CCC(C)[N@H+](C)CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012573105	0	51	0.0	-55.26	387.31	9.43	-45.83
CCC(C)[N@@H+](C)CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012573105	1	51	0.0	-55.58	387.22	9.42	-46.16
CCC(C)[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012573106	0	53	0.0	-65.91	410.53	8.78	-57.13
CCC(C)[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012573106	1	53	0.0	-65.94	406.89	8.76	-57.18
CCC(C)[N@H+](C)CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012573107	0	47	0.0	-74.57	348.41	7.97	-66.60
CCC(C)[N@@H+](C)CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012573107	1	47	0.0	-74.38	348.00	7.95	-66.43
CCC(C)[N@H+](C)CCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012573108	0	44	0.0	-77.80	337.88	7.00	-70.80
CCC(C)[N@@H+](C)CCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012573108	1	44	0.0	-77.66	334.85	6.97	-70.69
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012573109	0	50	0.0	-71.60	388.69	8.03	-63.57
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012573109	1	50	0.0	-70.40	388.96	8.06	-62.34
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012573110	0	47	0.0	-68.76	373.10	6.87	-61.89
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012573110	1	47	0.0	-67.28	373.51	6.93	-60.35
CCC(C)[N@H+](C)CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012573111	0	47	0.0	-67.51	355.46	7.55	-59.96
CCC(C)[N@@H+](C)CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012573111	1	47	0.0	-67.31	352.31	7.50	-59.81
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012573112	0	51	0.0	-72.60	390.64	7.70	-64.90
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012573112	1	51	0.0	-71.51	387.54	7.66	-63.85
CCC(C)[N@H+](C)CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012573113	0	55	0.0	-72.68	410.99	9.32	-63.36
CCC(C)[N@@H+](C)CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012573113	1	55	0.0	-72.98	411.32	9.28	-63.70
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012573114	0	47	0.0	-68.76	373.10	6.87	-61.89
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012573114	1	47	0.0	-67.28	373.51	6.93	-60.35
CCC(C)[N@H+](C)CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012573115	0	51	0.0	-77.23	364.46	8.23	-69.00
CCC(C)[N@@H+](C)CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012573115	1	51	0.0	-76.73	364.00	7.93	-68.80
CCC(C)[N@H+](C)CCNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012573116	0	50	0.0	-67.77	379.02	4.79	-62.98
CCC(C)[N@@H+](C)CCNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012573116	1	50	0.0	-67.25	379.53	4.75	-62.50
CCC(C)[N@H+](C)CCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012573117	0	52	0.0	-68.09	374.14	7.35	-60.74
CCC(C)[N@@H+](C)CCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012573117	1	52	0.0	-69.13	375.12	7.31	-61.82
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012573118	0	51	0.0	-70.34	372.58	5.10	-65.24
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012573118	1	51	0.0	-71.01	374.90	5.07	-65.94
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012573119	0	47	0.0	-68.48	384.75	7.74	-60.74
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012573119	1	47	0.0	-67.77	381.90	7.60	-60.17
CCC(C)[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012573120	0	51	0.0	-71.79	383.01	8.36	-63.43
CCC(C)[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012573120	1	51	0.0	-69.49	378.53	8.17	-61.32
CCC(C)[N@H+](C)CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012573121	0	48	0.0	-73.74	344.92	6.09	-67.65
CCC(C)[N@@H+](C)CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012573121	1	48	0.0	-76.04	348.34	6.40	-69.64
CCC(C)[N@H+](C)CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012573122	0	50	0.0	-68.88	365.74	7.83	-61.05
CCC(C)[N@@H+](C)CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012573122	1	50	0.0	-69.55	368.57	7.83	-61.72
CCC(C)[N@H+](C)CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012573123	0	61	0.0	-72.03	415.72	9.12	-62.91
CCC(C)[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012573123	1	61	0.0	-73.14	416.96	9.03	-64.11
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012573124	0	53	0.0	-72.85	412.19	8.20	-64.65
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012573124	1	53	0.0	-72.18	412.76	8.19	-63.99
CCC(C)[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012573125	0	47	0.0	-54.90	362.44	7.90	-47.00
CCC(C)[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012573125	1	47	0.0	-55.96	366.18	7.93	-48.03
CCC(C)[N@H+](C)CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012573126	0	58	0.0	-75.43	394.87	8.71	-66.72
CCC(C)[N@@H+](C)CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012573126	1	58	0.0	-74.26	396.74	8.34	-65.92
CCC(C)[N@H+](C)CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012573127	0	49	0.0	-65.39	394.01	6.59	-58.80
CCC(C)[N@@H+](C)CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012573127	1	49	0.0	-68.95	393.83	6.60	-62.35
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+](C)C(C)CC)C1	REAL300012573128	0	51	0.0	-74.35	379.01	6.50	-67.85
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+](C)C(C)CC)C1	REAL300012573128	1	51	0.0	-74.34	378.44	6.54	-67.80
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CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)C(C)C	REAL300012573130	0	51	0.0	-69.99	367.99	4.62	-65.37
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)C(C)C	REAL300012573130	1	51	0.0	-71.80	362.35	4.43	-67.37
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C(C)C	REAL300012573131	0	47	0.0	-63.11	372.42	6.97	-56.14
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C(C)C	REAL300012573131	1	47	0.0	-63.18	371.15	6.92	-56.26
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C(C)C	REAL300012573132	0	47	0.0	-62.30	381.71	7.44	-54.86
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C(C)C	REAL300012573132	1	47	0.0	-63.67	381.64	7.34	-56.33
CC[N@H+](CCNC(=O)N1CCC(OC)CC1C(=O)[O-])C(C)C	REAL300012573133	0	51	0.0	-75.73	363.37	6.82	-68.91
CC[N@@H+](CCNC(=O)N1CCC(OC)CC1C(=O)[O-])C(C)C	REAL300012573133	1	51	0.0	-76.80	364.64	6.64	-70.16
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCOC1)C(C)C	REAL300012573134	0	51	0.0	-65.56	367.47	4.67	-60.89
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCOC1)C(C)C	REAL300012573134	1	51	0.0	-67.41	362.33	4.47	-62.94
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1)C(C)C	REAL300012573135	0	50	0.0	-65.68	381.14	7.43	-58.25
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1)C(C)C	REAL300012573135	1	50	0.0	-66.02	385.79	7.47	-58.55
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C(C)C	REAL300012573136	0	52	0.0	-68.39	395.65	6.68	-61.71
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C(C)C	REAL300012573136	1	52	0.0	-68.71	394.99	6.62	-62.09
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1)C(C)C	REAL300012573137	0	53	0.0	-70.82	397.86	8.04	-62.78
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1)C(C)C	REAL300012573137	1	53	0.0	-69.34	401.63	8.18	-61.16
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1)C(C)C	REAL300012573138	0	53	0.0	-68.29	397.53	8.08	-60.21
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1)C(C)C	REAL300012573138	1	53	0.0	-70.04	391.81	7.95	-62.09
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1)C(C)C	REAL300012573139	0	51	0.0	-65.31	404.63	6.73	-58.58
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1)C(C)C	REAL300012573139	1	51	0.0	-66.86	404.57	6.63	-60.23
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C)C(C)C	REAL300012573140	0	53	0.0	-68.41	384.07	7.72	-60.69
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C)C(C)C	REAL300012573140	1	53	0.0	-69.18	389.07	7.80	-61.38
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1)C(C)C	REAL300012573141	0	51	0.0	-66.38	395.44	6.23	-60.15
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1)C(C)C	REAL300012573141	1	51	0.0	-66.48	394.16	6.17	-60.31
CC[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C(C)C	REAL300012573142	0	53	0.0	-51.30	419.24	10.59	-40.71
CC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C(C)C	REAL300012573142	1	53	0.0	-50.89	412.43	10.23	-40.66
CCCN(C(=O)NCC[N@H+](CC)C(C)C)C(COC)C(=O)[O-]	REAL300012573143	0	53	0.0	-67.25	380.14	6.83	-60.42
CCCN(C(=O)NCC[N@@H+](CC)C(C)C)C(COC)C(=O)[O-]	REAL300012573143	1	53	0.0	-66.51	380.38	6.95	-59.56
CCCN(C(=O)NCC[N@H+](CC)C(C)C)C(CC)C(=O)[O-]	REAL300012573144	0	52	0.0	-72.01	375.47	9.13	-62.88
CCCN(C(=O)NCC[N@@H+](CC)C(C)C)C(CC)C(=O)[O-]	REAL300012573144	1	52	0.0	-65.21	369.79	8.31	-56.90
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C(C)C	REAL300012573145	0	47	0.0	-64.25	375.84	7.39	-56.86
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C(C)C	REAL300012573145	1	47	0.0	-65.16	375.18	7.32	-57.84
CC[N@H+](CCNC(=O)N1CCSCC1C(=O)[O-])C(C)C	REAL300012573146	0	45	0.0	-73.47	332.80	7.80	-65.67
CC[N@@H+](CCNC(=O)N1CCSCC1C(=O)[O-])C(C)C	REAL300012573146	1	45	0.0	-74.55	332.48	7.71	-66.84
CC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCCCC1)C(C)C	REAL300012573147	0	53	0.0	-70.82	358.65	7.65	-63.17
CC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCCCC1)C(C)C	REAL300012573147	1	53	0.0	-71.87	357.93	7.54	-64.33
CC[N@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300012573148	0	50	0.0	-68.73	382.01	7.80	-60.93
CC[N@@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300012573148	1	50	0.0	-69.85	376.28	7.67	-62.18
CC[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C(C)C	REAL300012573149	0	50	0.0	-53.61	375.78	9.45	-44.16
CC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C(C)C	REAL300012573149	1	50	0.0	-53.88	379.85	9.52	-44.36
CC[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300012573150	0	47	0.0	-70.06	355.33	6.74	-63.32
CC[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300012573150	1	47	0.0	-69.12	359.09	6.78	-62.34
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300012573151	0	47	0.0	-68.53	354.39	6.73	-61.80
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300012573151	1	47	0.0	-69.09	359.04	6.77	-62.32
CC[N@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300012573152	0	50	0.0	-68.73	382.01	7.80	-60.93
CC[N@@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300012573152	1	50	0.0	-69.85	376.28	7.67	-62.18
CC[N@H+](CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C(C)C	REAL300012573153	0	51	0.0	-76.03	371.09	9.93	-66.10
CC[N@@H+](CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C(C)C	REAL300012573153	1	51	0.0	-77.11	366.37	9.71	-67.40
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CS1)C(C)C	REAL300012573154	0	44	0.0	-66.42	351.24	5.91	-60.51
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CS1)C(C)C	REAL300012573154	1	44	0.0	-67.45	344.53	5.83	-61.62
CC[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C(C)C	REAL300012573155	0	50	0.0	-51.38	397.23	10.11	-41.27
CC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C(C)C	REAL300012573155	1	50	0.0	-51.76	396.57	10.04	-41.72
CC[N@H+](CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C(C)C	REAL300012573156	0	54	0.0	-69.27	411.06	7.87	-61.40
CC[N@@H+](CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C(C)C	REAL300012573156	1	54	0.0	-69.32	409.56	7.81	-61.51
CC[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1)C(C)C	REAL300012573157	0	58	0.0	-56.10	434.78	8.06	-48.04
CC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1)C(C)C	REAL300012573157	1	58	0.0	-55.87	433.72	8.07	-47.80
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C(C)C	REAL300012573158	0	47	0.0	-64.18	380.41	7.50	-56.68
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C(C)C	REAL300012573158	1	47	0.0	-64.99	379.74	7.43	-57.56
CC[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C(C)C	REAL300012573159	0	50	0.0	-51.52	386.92	9.66	-41.86
CC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C(C)C	REAL300012573159	1	50	0.0	-52.05	386.25	9.59	-42.46
CC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C(C)C	REAL300012573160	0	51	0.0	-68.92	377.59	8.02	-60.90
CC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C(C)C	REAL300012573160	1	51	0.0	-71.41	373.57	8.02	-63.39
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C(C)C	REAL300012573161	0	47	0.0	-69.72	365.82	6.86	-62.86
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C(C)C	REAL300012573161	1	47	0.0	-69.25	369.63	6.91	-62.34
CC[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300012573162	0	50	0.0	-67.77	367.70	7.59	-60.18
CC[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300012573162	1	50	0.0	-69.37	363.57	7.47	-61.90
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CC[N@H+](CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300012573164	0	53	0.0	-66.99	390.57	9.71	-57.28
CC[N@@H+](CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300012573164	1	53	0.0	-67.65	390.42	9.74	-57.91
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C(C)C	REAL300012573165	0	47	0.0	-64.25	375.84	7.39	-56.86
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C(C)C	REAL300012573165	1	47	0.0	-65.16	375.18	7.32	-57.84
CC[N@H+](CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1)C(C)C	REAL300012573166	0	53	0.0	-71.70	361.74	8.22	-63.48
CC[N@@H+](CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1)C(C)C	REAL300012573166	1	53	0.0	-72.90	361.68	8.28	-64.62
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CC[N@@H+](CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300012573554	1	51	0.0	-72.72	412.24	8.49	-64.23
CC[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1CC1	REAL300012573555	0	45	0.0	-54.90	362.28	8.17	-46.73
CC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1CC1	REAL300012573555	1	45	0.0	-55.59	356.90	7.94	-47.65
CC[N@H+](CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CC1	REAL300012573556	0	56	0.0	-74.79	395.00	8.96	-65.83
CC[N@@H+](CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CC1	REAL300012573556	1	56	0.0	-75.32	395.42	8.71	-66.61
CC[N@H+](CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1CC1	REAL300012573557	0	47	0.0	-68.46	393.52	6.85	-61.61
CC[N@@H+](CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1CC1	REAL300012573557	1	47	0.0	-69.73	393.76	6.88	-62.85
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CC(C)C[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573727	0	54	0.0	-76.23	417.88	9.23	-67.00
CC(C)C[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573727	1	54	0.0	-75.67	415.97	9.14	-66.53
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CCCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573738	0	51	0.0	-62.76	398.64	10.45	-52.31
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573738	1	51	0.0	-62.51	397.55	10.33	-52.18
CC(C(=O)[O-])N(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012573739	0	55	0.0	-65.38	411.22	10.85	-54.53
CC(C(=O)[O-])N(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012573739	1	55	0.0	-64.64	409.06	10.61	-54.03
CCCN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(COC)C(=O)[O-]	REAL300012573740	0	58	0.0	-75.47	437.51	10.17	-65.30
CCCN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(COC)C(=O)[O-]	REAL300012573740	1	58	0.0	-77.26	441.71	11.34	-65.92
CCCN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012573741	0	57	0.0	-54.53	424.12	12.40	-42.13
CCCN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012573741	1	57	0.0	-65.49	426.01	11.44	-54.05
CC(C)C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573742	0	51	0.0	-73.71	391.23	8.36	-65.35
CC(C)C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573742	1	51	0.0	-74.33	393.79	8.42	-65.91
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CC(C)C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573754	0	51	0.0	-73.71	391.23	8.36	-65.35
CC(C)C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573754	1	51	0.0	-74.33	393.79	8.42	-65.91
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CC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573757	0	45	0.0	-67.03	357.23	6.88	-60.15
CC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573757	1	45	0.0	-67.45	356.61	6.72	-60.73
CCC(C)C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573758	0	54	0.0	-76.11	409.74	8.88	-67.23
CCC(C)C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573758	1	54	0.0	-76.21	409.54	8.91	-67.30
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CCCC(C)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573761	0	54	0.0	-75.17	402.70	8.95	-66.22
CCCC(C)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573761	1	54	0.0	-75.48	403.76	8.91	-66.57
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CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573762	1	51	0.0	-61.42	387.81	9.97	-51.45
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C=CCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573764	1	49	0.0	-61.77	387.11	10.08	-51.69
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573765	0	54	0.0	-62.72	413.30	10.97	-51.75
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573765	1	54	0.0	-62.43	412.21	10.85	-51.58
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CC(C)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573767	0	48	0.0	-65.63	369.97	7.26	-58.37
CC(C)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573767	1	48	0.0	-65.53	368.87	7.16	-58.37
CC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1CC1	REAL300012573768	0	52	0.0	-75.70	390.87	8.89	-66.81
CC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1CC1	REAL300012573768	1	52	0.0	-76.10	393.21	9.02	-67.08
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CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573771	0	51	0.0	-75.50	387.27	9.96	-65.54
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573771	1	51	0.0	-61.42	387.81	9.97	-51.45
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573772	0	51	0.0	-62.76	398.64	10.45	-52.31
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573772	1	51	0.0	-62.51	397.55	10.33	-52.18
CCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573773	0	48	0.0	-75.33	374.99	9.63	-65.70
CCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573773	1	48	0.0	-75.57	377.54	9.69	-65.88
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573774	0	54	0.0	-76.85	410.46	8.84	-68.01
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573774	1	54	0.0	-76.65	410.84	8.84	-67.81
O=C([O-])C1(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300012573775	0	52	0.0	-78.94	394.27	8.97	-69.97
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300012573775	1	52	0.0	-78.83	393.71	9.02	-69.81
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O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573776	1	55	0.0	-60.39	441.46	12.65	-47.74
CCC(C)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573777	0	51	0.0	-74.94	381.20	8.20	-66.74
CCC(C)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573777	1	51	0.0	-74.97	383.74	8.25	-66.72
O=C([O-])C1(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CC2=CC=CC=C2C1	REAL300012573778	0	56	0.0	-78.74	432.76	11.16	-67.58
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CC2=CC=CC=C2C1	REAL300012573778	1	56	0.0	-77.41	433.67	11.15	-66.26
CC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012573779	0	55	0.0	-76.99	421.03	10.67	-66.32
CC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012573779	1	55	0.0	-77.34	423.55	10.73	-66.61
C[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573780	0	45	0.0	-67.04	357.23	6.88	-60.16
C[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573780	1	45	0.0	-67.11	356.27	6.76	-60.35
CCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573781	0	48	0.0	-75.33	374.99	9.63	-65.70
CCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573781	1	48	0.0	-75.57	377.54	9.69	-65.88
CCCCCCC(C)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573782	0	63	0.0	-74.91	467.19	11.29	-63.62
CCCCCCC(C)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573782	1	63	0.0	-75.66	468.26	11.24	-64.42
CN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012573783	0	58	0.0	-75.28	446.02	12.79	-62.49
CN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012573783	1	58	0.0	-76.18	448.49	12.96	-63.22
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COCCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573791	0	52	0.0	-63.47	408.52	8.88	-54.59
COCCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573791	1	52	0.0	-62.31	400.72	9.62	-52.69
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CC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573799	1	52	0.0	-81.76	393.94	10.24	-71.52
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O=C([O-])C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300012573827	1	58	0.0	-77.51	436.79	10.24	-67.27
CN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(COC1CCC1)C(=O)[O-]	REAL300012573828	0	59	0.0	-74.86	448.80	10.72	-64.14
CN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(COC1CCC1)C(=O)[O-]	REAL300012573828	1	59	0.0	-74.39	449.14	10.59	-63.80
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C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573832	0	58	0.0	-55.62	446.85	13.80	-41.82
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573832	1	58	0.0	-56.10	446.56	13.64	-42.46
CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573833	0	48	0.0	-72.61	369.19	8.81	-63.80
CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573833	1	48	0.0	-72.06	370.11	8.84	-63.22
CCC(CC)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573834	0	54	0.0	-75.60	397.87	9.09	-66.51
CCC(CC)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573834	1	54	0.0	-76.46	400.11	9.14	-67.32
COC1=CC=C(C(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300012573835	0	56	0.0	-76.48	444.25	9.28	-67.20
COC1=CC=C(C(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300012573835	1	56	0.0	-76.49	443.56	9.23	-67.26
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573836	0	54	0.0	-61.27	405.71	10.96	-50.31
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573836	1	54	0.0	-61.61	408.25	11.02	-50.59
CCC(COC)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573837	0	55	0.0	-80.97	418.30	8.43	-72.54
CCC(COC)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573837	1	55	0.0	-81.06	418.42	8.45	-72.61
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573838	0	58	0.0	-73.91	439.71	9.88	-64.03
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573838	1	58	0.0	-73.90	442.36	10.07	-63.83
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573839	0	52	0.0	-75.13	408.94	9.32	-65.81
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COCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573840	0	52	0.0	-76.16	412.89	6.94	-69.22
COCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573840	1	52	0.0	-75.54	411.56	6.90	-68.64
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573841	0	57	0.0	-72.36	426.39	11.30	-61.06
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573841	1	57	0.0	-73.67	427.87	11.21	-62.46
O=C([O-])C(CC(F)F)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573842	0	48	0.0	-74.81	390.73	8.18	-66.63
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CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573843	0	58	0.0	-84.50	432.69	12.36	-72.14
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573843	1	58	0.0	-82.19	430.50	12.13	-70.06
CCCN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012573844	0	54	0.0	-64.17	409.52	10.59	-53.58
CCCN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012573844	1	54	0.0	-64.38	409.45	10.52	-53.86
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573845	0	58	0.0	-56.30	443.31	13.63	-42.67
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573845	1	58	0.0	-57.24	445.78	13.71	-43.53
CCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012573846	0	58	0.0	-77.41	437.92	11.54	-65.87
CCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012573846	1	58	0.0	-78.24	440.53	11.62	-66.62
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COC1(CC(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300012573848	0	59	0.0	-73.73	446.02	9.33	-64.40
COC1(CC(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300012573848	1	59	0.0	-75.23	442.96	9.14	-66.09
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O=C([O-])CN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300012573850	1	58	0.0	-61.92	431.28	11.98	-49.94
C[C@H]1CC[C@@](NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300012573851	0	58	0.0	-78.99	420.59	10.35	-68.64
C[C@H]1CC[C@@](NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300012573851	1	58	0.0	-78.86	422.04	10.48	-68.38
COC1=CC=CC(C(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012573852	0	56	0.0	-79.47	444.89	9.25	-70.22
COC1=CC=CC(C(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012573852	1	56	0.0	-79.59	445.26	9.25	-70.34
CC(CCF)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573853	0	51	0.0	-71.56	387.79	8.34	-63.22
CC(CCF)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573853	1	51	0.0	-72.29	388.86	8.28	-64.01
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COC1=CC=CC([C@H](NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012573856	0	56	0.0	-79.56	444.89	9.25	-70.31
COC1=CC=CC([C@H](NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012573856	1	56	0.0	-79.62	445.24	9.24	-70.38
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573857	0	48	0.0	-72.58	369.18	8.89	-63.69
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573857	1	48	0.0	-72.49	368.19	8.85	-63.64
CC1(C)CCCC(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012573858	0	61	0.0	-80.09	436.66	10.97	-69.12
CC1(C)CCCC(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012573858	1	61	0.0	-79.83	434.75	10.85	-68.98
O=C([O-])C12CC(C1)CN2C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573859	0	50	0.0	-87.60	384.02	10.37	-77.23
O=C([O-])C12CC(C1)CN2C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573859	1	50	0.0	-86.90	386.69	10.40	-76.50
COC1CN(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300012573860	0	56	0.0	-78.48	427.86	9.37	-69.11
COC1CN(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300012573860	1	56	0.0	-82.12	428.72	9.32	-72.80
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573861	0	59	0.0	-74.97	446.40	9.39	-65.58
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573861	1	59	0.0	-75.59	451.00	8.72	-66.87
CC(C)(C)[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573862	0	54	0.0	-75.76	408.41	9.00	-66.76
CC(C)(C)[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573862	1	54	0.0	-75.20	406.50	8.89	-66.31
C=C(Cl)CC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573863	0	49	0.0	-76.50	408.49	8.93	-67.57
C=C(Cl)CC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573863	1	49	0.0	-75.95	408.57	9.00	-66.95
C=C(C)CC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573864	0	52	0.0	-75.98	413.11	9.08	-66.90
C=C(C)CC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573864	1	52	0.0	-75.08	412.63	9.09	-65.99
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573865	0	53	0.0	-89.34	400.02	11.23	-78.11
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573865	1	53	0.0	-89.11	400.41	11.24	-77.87
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573866	0	49	0.0	-75.87	391.59	9.66	-66.21
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573866	1	49	0.0	-74.85	391.13	9.99	-64.86
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573867	0	49	0.0	-79.26	383.31	9.44	-69.82
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573867	1	49	0.0	-79.27	384.81	9.90	-69.37
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012573868	0	50	0.0	-81.38	390.21	9.76	-71.62
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012573868	1	50	0.0	-81.94	392.64	9.83	-72.11
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573869	0	59	0.0	-77.13	450.68	8.69	-68.44
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573869	1	59	0.0	-75.74	446.57	9.42	-66.32
CC(C)C[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573870	0	54	0.0	-76.23	417.88	9.23	-67.00
CC(C)C[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573870	1	54	0.0	-75.67	415.97	9.14	-66.53
O=C([O-])C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300012573871	0	56	0.0	-75.25	426.31	7.88	-67.37
O=C([O-])C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300012573871	1	56	0.0	-76.88	429.61	7.93	-68.95
O=C([O-])C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012573872	0	52	0.0	-76.83	415.13	10.03	-66.80
O=C([O-])C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012573872	1	52	0.0	-77.49	414.26	9.85	-67.64
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573873	0	52	0.0	-75.13	408.94	9.32	-65.81
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573873	1	52	0.0	-76.00	411.72	9.31	-66.69
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573874	0	51	0.0	-75.90	424.15	8.09	-67.81
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573874	1	51	0.0	-76.64	423.30	7.93	-68.71
CC(C)CCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573875	0	60	0.0	-75.88	461.28	10.71	-65.17
CC(C)CCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573875	1	60	0.0	-75.67	460.19	10.62	-65.05
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573876	0	56	0.0	-79.56	433.16	8.17	-71.39
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573876	1	56	0.0	-79.72	433.39	8.14	-71.58
CSCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573877	0	49	0.0	-72.61	402.02	8.32	-64.29
CSCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573877	1	49	0.0	-72.57	402.41	8.32	-64.25
COC[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573878	0	49	0.0	-76.58	390.10	6.09	-70.49
COC[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573878	1	49	0.0	-77.26	391.46	6.11	-71.15
CC[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573879	0	48	0.0	-75.62	378.73	7.86	-67.76
CC[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573879	1	48	0.0	-74.70	376.48	7.78	-66.92
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573880	0	55	0.0	-74.79	443.83	11.03	-63.76
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573880	1	55	0.0	-75.10	444.20	11.02	-64.08
CCC(C)CC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573881	0	57	0.0	-75.86	435.39	9.89	-65.97
CCC(C)CC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573881	1	57	0.0	-75.72	436.29	9.90	-65.82
C=CCCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573882	0	55	0.0	-75.44	435.03	9.98	-65.46
C=CCCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573882	1	55	0.0	-74.78	435.16	10.05	-64.73
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573883	0	55	0.0	-75.11	443.50	10.94	-64.17
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573883	1	55	0.0	-75.29	444.37	10.96	-64.33
O=C([O-])C1CSCCN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573884	0	50	0.0	-81.14	389.05	10.82	-70.32
O=C([O-])C1CSCCN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573884	1	50	0.0	-82.70	388.85	10.99	-71.71
CC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012573885	0	55	0.0	-76.99	421.03	10.67	-66.32
CC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012573885	1	55	0.0	-77.34	423.55	10.73	-66.61
O=C([O-])[C@H]1CCCN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573886	0	49	0.0	-82.43	377.49	9.41	-73.02
O=C([O-])[C@H]1CCCN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573886	1	49	0.0	-82.38	378.57	9.48	-72.90
CCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573887	0	51	0.0	-75.27	399.89	8.65	-66.62
CCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573887	1	51	0.0	-75.76	399.62	8.55	-67.21
CC(C)[C@@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573888	0	51	0.0	-74.97	393.85	8.48	-66.49
CC(C)[C@@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573888	1	51	0.0	-76.22	391.70	8.21	-68.01
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573889	0	53	0.0	-87.91	399.59	11.35	-76.56
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573889	1	53	0.0	-87.78	399.24	11.36	-76.42
CCN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012573890	0	54	0.0	-78.77	403.91	10.64	-68.13
CCN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012573890	1	54	0.0	-78.72	404.28	10.64	-68.08
CCCN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012573891	0	54	0.0	-64.17	409.52	10.59	-53.58
CCCN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012573891	1	54	0.0	-64.38	409.45	10.52	-53.86
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573892	0	48	0.0	-71.03	389.61	10.13	-60.90
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573892	1	48	0.0	-71.45	392.15	10.20	-61.25
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573893	0	48	0.0	-71.03	389.61	10.13	-60.90
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573893	1	48	0.0	-71.45	392.15	10.20	-61.25
CN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012573894	0	51	0.0	-78.72	384.48	9.78	-68.94
CN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012573894	1	51	0.0	-78.75	383.27	9.68	-69.07
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573895	0	49	0.0	-81.87	377.98	9.79	-72.08
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573895	1	49	0.0	-81.66	378.39	9.78	-71.88
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573896	0	50	0.0	-84.36	388.68	6.04	-78.32
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573896	1	50	0.0	-84.33	390.40	6.07	-78.26
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573897	0	56	0.0	-59.59	432.22	12.82	-46.77
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573897	1	56	0.0	-58.50	430.25	12.78	-45.72
CCC[C@@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573898	0	51	0.0	-75.24	399.98	8.69	-66.55
CCC[C@@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573898	1	51	0.0	-75.91	401.10	8.65	-67.26
O=C([O-])[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012573899	0	52	0.0	-77.22	415.37	9.96	-67.26
O=C([O-])[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012573899	1	52	0.0	-76.78	413.49	9.83	-66.95
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573900	0	57	0.0	-77.04	453.10	9.90	-67.14
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573900	1	57	0.0	-77.33	453.58	9.82	-67.51
C=CCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573901	0	52	0.0	-74.84	412.70	9.22	-65.62
C=CCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573901	1	52	0.0	-75.58	412.44	9.11	-66.47
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573902	0	51	0.0	-78.79	424.17	7.89	-70.90
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573902	1	51	0.0	-73.69	424.80	7.88	-65.81
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573903	0	52	0.0	-90.47	408.77	7.38	-83.09
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573903	1	52	0.0	-90.07	408.76	7.37	-82.70
CN1CC(C(=O)[O-])N(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CC1=O	REAL300012573904	0	53	0.0	-76.50	406.10	9.02	-67.48
CN1CC(C(=O)[O-])N(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1=O	REAL300012573904	1	53	0.0	-76.11	405.64	9.08	-67.03
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573905	0	52	0.0	-81.39	392.94	10.27	-71.12
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573905	1	52	0.0	-80.57	396.13	10.37	-70.20
CC(C)[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573906	0	51	0.0	-76.23	391.92	8.19	-68.04
CC(C)[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573906	1	51	0.0	-75.73	390.01	8.09	-67.64
O=C([O-])[C@@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012573907	0	52	0.0	-77.32	415.35	9.95	-67.37
O=C([O-])[C@@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012573907	1	52	0.0	-77.31	415.76	9.95	-67.36
CC(CN1C=CC=N1)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573908	0	55	0.0	-76.36	429.07	9.35	-67.01
CC(CN1C=CC=N1)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573908	1	55	0.0	-78.58	425.17	9.29	-69.29
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573909	0	48	0.0	-72.58	369.18	8.89	-63.69
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573909	1	48	0.0	-72.49	368.19	8.85	-63.64
CCC[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573910	0	51	0.0	-75.15	398.56	8.59	-66.56
CCC[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573910	1	51	0.0	-75.99	399.63	8.55	-67.44
CCN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012573911	0	51	0.0	-72.73	386.02	9.74	-62.99
CCN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012573911	1	51	0.0	-73.56	388.59	9.82	-63.74
O=C([O-])CN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300012573912	0	55	0.0	-61.84	413.50	11.27	-50.57
O=C([O-])CN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300012573912	1	55	0.0	-61.47	413.89	11.26	-50.21
CC(CN(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573913	0	51	0.0	-79.84	389.34	9.59	-70.25
CC(CN(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573913	1	51	0.0	-80.01	391.07	9.62	-70.39
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573914	0	54	0.0	-76.85	410.46	8.84	-68.01
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573914	1	54	0.0	-76.65	410.84	8.84	-67.81
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573915	0	51	0.0	-73.49	389.64	9.88	-63.61
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573915	1	51	0.0	-72.94	388.51	9.91	-63.03
O=C([O-])C1(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CC(CO)C1	REAL300012573916	0	53	0.0	-80.08	412.40	5.86	-74.22
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CC(CO)C1	REAL300012573916	1	53	0.0	-79.36	412.70	5.90	-73.46
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573917	0	61	0.0	-78.43	463.22	9.15	-69.28
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573917	1	61	0.0	-77.83	461.31	9.04	-68.79
CC1CCC(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012573918	0	55	0.0	-79.36	412.33	9.48	-69.88
CC1CCC(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012573918	1	55	0.0	-79.35	414.61	9.61	-69.74
CC1(C)CCCC1(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573919	0	58	0.0	-79.42	422.57	10.30	-69.12
CC1(C)CCCC1(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573919	1	58	0.0	-79.92	423.56	10.22	-69.70
COCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573920	0	52	0.0	-76.16	412.89	6.94	-69.22
COCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573920	1	52	0.0	-75.54	411.56	6.90	-68.64
CN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012573921	0	58	0.0	-75.28	446.02	12.79	-62.49
CN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012573921	1	58	0.0	-76.18	448.49	12.96	-63.22
CC1(C)CC(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012573922	0	55	0.0	-80.23	414.47	10.18	-70.05
CC1(C)CC(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012573922	1	55	0.0	-80.33	415.91	10.31	-70.02
CC1(C(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300012573923	0	52	0.0	-76.93	407.53	8.94	-67.99
CC1(C(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300012573923	1	52	0.0	-77.76	400.92	9.13	-68.63
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573924	0	61	0.0	-78.11	461.89	9.02	-69.09
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573924	1	61	0.0	-77.40	463.40	9.16	-68.24
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573925	0	50	0.0	-87.49	388.57	6.28	-81.21
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573925	1	50	0.0	-88.32	387.33	6.22	-82.10
O=C([O-])C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCOC1	REAL300012573926	0	53	0.0	-74.64	411.10	7.14	-67.50
O=C([O-])C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCOC1	REAL300012573926	1	53	0.0	-74.75	409.97	7.04	-67.71
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573927	0	53	0.0	-86.13	398.99	10.87	-75.26
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573927	1	53	0.0	-85.60	399.48	10.94	-74.66
O=C([O-])C12COC(CN1C(=O)NCC1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300012573928	0	51	0.0	-81.89	392.57	8.73	-73.16
O=C([O-])C12COC(CN1C(=O)NCC1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300012573928	1	51	0.0	-82.10	392.53	8.70	-73.40
CC1CCC(C(=O)[O-])N(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012573929	0	55	0.0	-84.14	403.24	11.53	-72.61
CC1CCC(C(=O)[O-])N(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012573929	1	55	0.0	-82.69	410.16	11.41	-71.28
CC(C1=CC=CC=C1)C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573930	0	58	0.0	-76.76	454.37	11.31	-65.45
CC(C1=CC=CC=C1)C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573930	1	58	0.0	-76.83	454.75	11.31	-65.52
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573931	0	59	0.0	-75.97	447.37	11.69	-64.28
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573931	1	59	0.0	-75.02	446.93	11.71	-63.31
O=C([O-])C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012573932	0	52	0.0	-75.90	396.72	8.78	-67.12
O=C([O-])C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012573932	1	52	0.0	-76.89	399.84	8.77	-68.12
O=C([O-])C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300012573933	0	58	0.0	-76.60	435.72	10.28	-66.32
O=C([O-])C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300012573933	1	58	0.0	-77.51	436.79	10.24	-67.27
O=C([O-])C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012573934	0	52	0.0	-75.90	396.72	8.78	-67.12
O=C([O-])C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012573934	1	52	0.0	-76.89	399.84	8.77	-68.12
CC1CCN(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300012573935	0	52	0.0	-82.60	397.41	9.95	-72.65
CC1CCN(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300012573935	1	52	0.0	-82.74	398.80	10.07	-72.67
C=CCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573936	0	49	0.0	-74.76	391.70	8.34	-66.42
C=CCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573936	1	49	0.0	-75.60	392.88	8.33	-67.27
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573937	0	59	0.0	-75.73	451.47	9.60	-66.13
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573937	1	59	0.0	-75.17	451.60	9.67	-65.50
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573938	0	59	0.0	-56.93	423.07	11.48	-45.45
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573938	1	59	0.0	-57.41	424.94	11.62	-45.79
CC1(C)CC(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CCO1	REAL300012573939	0	59	0.0	-79.61	429.26	8.90	-70.71
CC1(C)CC(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CCO1	REAL300012573939	1	59	0.0	-79.13	427.32	8.77	-70.36
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573940	0	53	0.0	-59.66	398.62	10.75	-48.91
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573940	1	53	0.0	-59.25	401.60	10.82	-48.43
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573941	0	59	0.0	-75.97	447.37	11.69	-64.28
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573941	1	59	0.0	-75.02	446.93	11.71	-63.31
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O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573942	1	55	0.0	-73.91	444.44	10.97	-62.94
COC1CC(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012573943	0	53	0.0	-82.26	413.60	7.53	-74.73
COC1CC(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012573943	1	53	0.0	-75.20	412.15	7.48	-67.72
O=C([O-])C1(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300012573944	0	49	0.0	-77.82	387.10	8.50	-69.32
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300012573944	1	49	0.0	-77.82	388.53	8.63	-69.19
CO[C@H]1C[C@](NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012573945	0	53	0.0	-77.92	412.58	7.86	-70.06
CO[C@H]1C[C@](NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012573945	1	53	0.0	-75.21	412.33	7.49	-67.72
O=C([O-])C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1(C(F)(F)F)CC1	REAL300012573946	0	52	0.0	-74.13	419.96	9.35	-64.78
O=C([O-])C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1(C(F)(F)F)CC1	REAL300012573946	1	52	0.0	-73.96	418.55	9.25	-64.71
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573947	0	55	0.0	-81.31	406.65	11.17	-70.14
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573947	1	55	0.0	-84.16	408.72	11.59	-72.57
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573948	0	48	0.0	-68.94	392.16	8.54	-60.40
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O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573949	0	56	0.0	-74.03	430.11	8.44	-65.59
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573949	1	56	0.0	-75.69	434.84	8.00	-67.69
O=C([O-])C1(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)COC1	REAL300012573950	0	47	0.0	-73.66	371.09	5.69	-67.97
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)COC1	REAL300012573950	1	47	0.0	-73.61	371.51	5.65	-67.96
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573951	0	52	0.0	-76.48	428.63	9.97	-66.51
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573951	1	52	0.0	-76.96	429.84	9.95	-67.01
CC(C)C(C)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573952	0	54	0.0	-75.61	398.29	8.88	-66.73
CC(C)C(C)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573952	1	54	0.0	-76.51	399.00	8.83	-67.68
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573953	0	50	0.0	-85.51	383.11	10.92	-74.59
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573955	0	58	0.0	-56.30	443.31	13.63	-42.67
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573955	1	58	0.0	-57.24	445.78	13.71	-43.53
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573956	0	61	0.0	-75.96	459.35	11.16	-64.80
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573956	1	61	0.0	-76.21	459.71	11.16	-65.05
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O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573957	1	58	0.0	-76.38	458.72	11.56	-64.82
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O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573960	1	61	0.0	-75.59	457.45	11.04	-64.55
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573961	0	61	0.0	-75.99	458.72	11.09	-64.90
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O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573962	0	59	0.0	-59.18	440.15	11.78	-47.40
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573962	1	59	0.0	-58.45	438.66	11.64	-46.81
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573963	0	59	0.0	-84.26	434.84	11.36	-72.90
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573963	1	59	0.0	-83.75	435.33	11.52	-72.23
C=CCSCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573964	0	53	0.0	-73.09	435.03	9.63	-63.46
C=CCSCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573964	1	53	0.0	-73.31	437.35	9.75	-63.56
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573965	0	54	0.0	-72.82	403.43	10.59	-62.23
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573965	1	54	0.0	-77.98	406.33	11.31	-66.67
COC1(C(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300012573966	0	56	0.0	-78.59	427.34	7.61	-70.98
COC1(C(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300012573966	1	56	0.0	-78.58	426.83	7.62	-70.96
O=C([O-])C1(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CC(C(F)F)C1	REAL300012573967	0	52	0.0	-82.45	411.99	9.42	-73.03
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CC(C(F)F)C1	REAL300012573967	1	52	0.0	-81.68	412.44	9.45	-72.23
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573969	0	49	0.0	-79.26	383.31	9.44	-69.82
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573969	1	49	0.0	-79.27	384.81	9.90	-69.37
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573970	0	51	0.0	-58.89	394.15	10.64	-48.25
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573970	1	51	0.0	-59.81	393.55	10.63	-49.18
CC1(C)CCN(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300012573971	0	55	0.0	-82.88	412.98	10.70	-72.18
CC1(C)CCN(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300012573971	1	55	0.0	-84.12	415.94	10.34	-73.78
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573972	0	59	0.0	-83.09	433.19	12.46	-70.63
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573972	1	59	0.0	-83.98	434.34	12.47	-71.51
CC(C)CCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573973	0	57	0.0	-76.07	439.78	9.94	-66.13
CC(C)CCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573973	1	57	0.0	-75.90	438.69	9.85	-66.05
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573974	0	56	0.0	-59.24	423.84	11.11	-48.13
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573974	1	56	0.0	-58.68	425.22	11.29	-47.39
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573975	0	56	0.0	-74.03	430.11	8.44	-65.59
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573975	1	56	0.0	-75.69	434.84	8.00	-67.69
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012573976	0	53	0.0	-80.03	419.99	10.88	-69.15
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012573976	1	53	0.0	-79.67	420.88	10.99	-68.68
O=C([O-])C1(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CCCC2CC21	REAL300012573977	0	56	0.0	-81.43	414.58	10.73	-70.70
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CCCC2CC21	REAL300012573977	1	56	0.0	-78.61	417.58	10.47	-68.14
O=C([O-])C1(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CCC2CC21	REAL300012573978	0	53	0.0	-81.06	401.62	9.85	-71.21
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CCC2CC21	REAL300012573978	1	53	0.0	-79.71	403.36	9.64	-70.07
O=C([O-])C1(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CC2(CCC2)C1	REAL300012573979	0	56	0.0	-78.65	420.94	10.13	-68.52
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CC2(CCC2)C1	REAL300012573979	1	56	0.0	-80.69	429.63	10.44	-70.25
CN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012573980	0	58	0.0	-75.32	444.05	12.75	-62.57
CN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012573980	1	58	0.0	-76.20	448.61	12.95	-63.25
O=C([O-])C1CC2(CN1C(=O)NCC1CC[N@H+](CC3=CC=CC=C3)C1)CCCCC2	REAL300012573981	0	62	0.0	-58.93	455.16	12.25	-46.68
O=C([O-])C1CC2(CN1C(=O)NCC1CC[N@@H+](CC3=CC=CC=C3)C1)CCCCC2	REAL300012573981	1	62	0.0	-59.82	454.31	12.20	-47.62
O=C([O-])C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300012573982	0	55	0.0	-76.87	413.26	9.34	-67.53
O=C([O-])C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300012573982	1	55	0.0	-77.09	414.40	9.29	-67.80
CO[C@H](C)[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573983	0	52	0.0	-77.14	409.23	7.12	-70.02
CO[C@H](C)[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573983	1	52	0.0	-76.70	407.64	7.02	-69.68
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573984	0	52	0.0	-81.90	402.67	9.62	-72.28
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573984	1	52	0.0	-77.74	394.42	9.16	-68.58
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573985	0	55	0.0	-62.96	436.14	12.70	-50.26
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573985	1	55	0.0	-61.00	430.47	12.40	-48.60
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012573986	0	55	0.0	-59.01	417.84	10.56	-48.45
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012573986	1	55	0.0	-60.08	418.22	10.56	-49.52
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573987	0	52	0.0	-81.05	400.40	10.91	-70.14
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573987	1	52	0.0	-82.71	400.21	11.20	-71.51
O=C([O-])C1N(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300012573988	0	49	0.0	-84.18	389.93	9.96	-74.22
O=C([O-])C1N(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300012573988	1	49	0.0	-81.32	388.19	10.01	-71.31
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573989	0	55	0.0	-73.20	443.77	11.02	-62.18
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573989	1	55	0.0	-73.91	444.44	10.97	-62.94
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573990	0	52	0.0	-76.20	428.49	9.82	-66.38
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573990	1	52	0.0	-75.62	428.69	9.88	-65.74
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573991	0	52	0.0	-74.89	407.17	10.46	-64.43
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573991	1	52	0.0	-80.37	406.48	10.46	-69.91
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573992	0	52	0.0	-76.20	428.49	9.82	-66.38
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573992	1	52	0.0	-75.62	428.69	9.88	-65.74
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573993	0	56	0.0	-84.32	417.39	11.14	-73.18
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573993	1	56	0.0	-84.81	414.51	10.85	-73.96
COCCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573994	0	55	0.0	-75.32	434.39	7.71	-67.61
COCCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573994	1	55	0.0	-75.25	434.77	7.72	-67.53
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012573995	0	54	0.0	-72.81	408.98	10.58	-62.23
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012573995	1	54	0.0	-73.26	411.50	10.73	-62.53
CCOCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573996	0	52	0.0	-77.07	410.63	7.08	-69.99
CCOCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573996	1	52	0.0	-77.07	412.83	7.08	-69.99
CC(C)(C)CC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573997	0	57	0.0	-76.23	430.06	10.26	-65.97
CC(C)(C)CC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012573997	1	57	0.0	-76.02	428.72	10.23	-65.79
O=C([O-])C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCCO1	REAL300012573998	0	56	0.0	-79.15	429.77	8.00	-71.15
O=C([O-])C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCO1	REAL300012573998	1	56	0.0	-77.35	428.29	8.05	-69.30
O=C([O-])C1(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CC2=CC=CC=C2C1	REAL300012573999	0	56	0.0	-78.74	432.76	11.16	-67.58
O=C([O-])C1(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CC2=CC=CC=C2C1	REAL300012573999	1	56	0.0	-77.41	433.67	11.15	-66.26
C[C@H]1OCCN(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300012574000	0	53	0.0	-83.04	398.66	9.25	-73.79
C[C@H]1OCCN(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300012574000	1	53	0.0	-83.40	401.38	9.33	-74.07
N#CCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012574001	0	49	0.0	-77.26	400.07	8.38	-68.88
N#CCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012574001	1	49	0.0	-77.02	398.98	8.29	-68.73
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012574002	0	52	0.0	-62.86	417.82	10.84	-52.02
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012574002	1	52	0.0	-63.40	418.19	10.83	-52.57
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012574003	0	48	0.0	-72.62	369.20	8.80	-63.82
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012574003	1	48	0.0	-72.02	369.15	8.83	-63.19
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012574004	0	56	0.0	-78.71	432.57	9.82	-68.89
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012574004	1	56	0.0	-78.80	432.67	9.83	-68.97
CC1CC2(CC(NC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])C2)CO1	REAL300012574660	0	58	0.0	-62.70	434.45	6.42	-56.28
CC(C)N1C=C(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012575411	0	53	0.0	-60.77	402.35	6.17	-54.60
COCCC[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012575511	0	54	0.0	-76.71	409.03	6.16	-70.55
C=CCOCC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575512	0	53	0.0	-75.75	417.27	4.71	-71.04
C=CC(C)C(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575513	0	52	0.0	-74.88	396.36	5.75	-69.13
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012575514	0	56	0.0	-75.67	417.46	4.86	-70.81
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012575515	0	52	0.0	-71.50	419.00	7.12	-64.38
COCCC[NH+]1CCC(NC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300012575516	0	56	0.0	-84.20	412.65	6.73	-77.47
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012575517	0	56	0.0	-75.35	415.27	4.68	-70.67
COCCC[NH+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012575518	0	55	0.0	-83.69	401.02	8.35	-75.34
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300012575519	0	55	0.0	-74.35	433.22	7.62	-66.73
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012575520	0	57	0.0	-77.02	442.86	6.79	-70.23
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012575521	0	58	0.0	-78.31	449.34	8.25	-70.06
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300012575522	0	58	0.0	-77.99	444.71	8.21	-69.78
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300012575523	0	58	0.0	-77.82	436.47	7.95	-69.87
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300012575524	0	56	0.0	-75.53	442.24	6.30	-69.23
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCCOC)CC1	REAL300012575525	0	51	0.0	-63.69	389.78	7.43	-56.26
COCCC[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012575526	0	55	0.0	-56.39	395.66	8.44	-47.95
CCCN(C(=O)NC1CC[NH+](CCCOC)CC1)C(COC)C(=O)[O-]	REAL300012575527	0	58	0.0	-78.36	431.60	8.36	-70.00
CCCN(C(=O)NC1CC[NH+](CCCOC)CC1)C(CC)C(=O)[O-]	REAL300012575528	0	57	0.0	-68.06	415.96	8.39	-59.67
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012575529	0	51	0.0	-73.26	382.24	5.28	-67.98
COCCC[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012575530	0	52	0.0	-84.75	380.72	7.99	-76.76
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012575531	0	52	0.0	-71.12	422.60	7.48	-63.64
COCCC[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012575532	0	50	0.0	-82.20	380.33	7.87	-74.33
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012575533	0	55	0.0	-78.80	399.85	7.06	-71.74
COCCC[NH+]1CCC(NC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012575534	0	49	0.0	-82.56	370.00	6.37	-76.19
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012575535	0	52	0.0	-79.84	384.81	5.93	-73.91
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012575536	0	58	0.0	-79.44	405.49	7.71	-71.73
COCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012575537	0	55	0.0	-76.66	428.53	7.93	-68.73
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012575538	0	55	0.0	-63.70	427.28	9.67	-54.03
COCCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012575539	0	52	0.0	-77.58	406.53	6.93	-70.65
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012575540	0	52	0.0	-77.58	406.53	6.93	-70.65
CCC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575541	0	48	0.0	-73.34	370.55	4.94	-68.40
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012575542	0	51	0.0	-73.26	382.24	5.28	-67.98
COCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012575543	0	55	0.0	-76.66	428.53	7.93	-68.73
CCC(C)C(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575544	0	54	0.0	-76.30	402.03	5.83	-70.47
COCCC[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012575545	0	52	0.0	-84.75	380.72	7.99	-76.76
CCCC(C)(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575546	0	54	0.0	-72.65	396.42	6.00	-66.65
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012575547	0	51	0.0	-75.66	377.91	6.94	-68.72
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012575548	0	49	0.0	-78.72	369.36	6.95	-71.77
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCCOC)CC1	REAL300012575549	0	49	0.0	-63.49	381.09	7.23	-56.26
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012575550	0	54	0.0	-63.65	404.44	7.94	-55.71
COCCC[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012575551	0	56	0.0	-85.25	418.67	10.02	-75.23
COCCC[NH+]1CCC(NC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012575552	0	48	0.0	-65.34	361.54	4.25	-61.09
COCCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012575553	0	52	0.0	-76.46	383.91	5.98	-70.48
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012575554	0	49	0.0	-75.73	398.13	6.00	-69.73
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012575555	0	55	0.0	-78.80	399.85	7.06	-71.74
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012575556	0	55	0.0	-59.18	444.00	10.19	-48.99
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012575557	0	51	0.0	-75.66	377.91	6.94	-68.72
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCCOC)CC1	REAL300012575558	0	51	0.0	-63.69	389.78	7.43	-56.26
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCCOC)CC1	REAL300012575559	0	48	0.0	-75.67	368.28	6.68	-68.99
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575560	0	54	0.0	-77.22	401.57	5.81	-71.41
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012575561	0	52	0.0	-79.84	384.81	5.93	-73.91
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012575562	0	55	0.0	-59.39	433.68	9.74	-49.65
CCC(C)(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575563	0	51	0.0	-72.45	374.93	5.24	-67.21
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012575564	0	56	0.0	-79.12	425.83	8.22	-70.90
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012575565	0	52	0.0	-77.60	417.34	7.08	-70.52
COCCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012575566	0	55	0.0	-77.53	414.30	7.70	-69.83
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCCOC)CC1	REAL300012575567	0	48	0.0	-75.67	368.28	6.68	-68.99
CCCCCCC(C)(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575568	0	63	0.0	-72.76	460.92	8.33	-64.43
COCCC[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012575569	0	58	0.0	-75.27	437.86	9.90	-65.37
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012575570	0	52	0.0	-71.12	422.60	7.48	-63.64
COCCC[NH+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012575571	0	50	0.0	-81.17	371.31	5.31	-75.86
COCCC[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012575572	0	58	0.0	-81.07	409.11	8.37	-72.70
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012575573	0	49	0.0	-75.66	377.27	5.34	-70.32
COCCC[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012575574	0	58	0.0	-63.96	450.13	10.47	-53.49
COCCC[NH+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012575575	0	55	0.0	-79.21	416.89	8.47	-70.74
COCCC[NH+]1CCC(NC(=O)N(CCOC)CC(=O)[O-])CC1	REAL300012575576	0	52	0.0	-64.50	399.66	5.85	-58.65
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012575577	0	56	0.0	-80.21	421.64	8.00	-72.21
COCCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012575578	0	49	0.0	-82.88	371.75	6.38	-76.50
COCCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012575579	0	52	0.0	-83.20	380.65	7.78	-75.42
COCCC[NH+]1CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012575580	0	48	0.0	-73.12	360.31	5.77	-67.35
COCCC[NH+]1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012575581	0	49	0.0	-79.51	370.43	6.39	-73.12
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012575582	0	49	0.0	-79.81	371.47	5.55	-74.26
C=CCC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575583	0	49	0.0	-74.98	384.10	5.32	-69.66
COCCC[NH+]1CCC(NC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012575584	0	52	0.0	-81.70	386.25	7.30	-74.40
COCCC[NH+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012575585	0	55	0.0	-81.77	394.49	8.69	-73.08
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012575586	0	49	0.0	-75.66	377.27	5.34	-70.32
COCCC[NH+]1CCC(NC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012575587	0	48	0.0	-72.57	360.88	5.95	-66.62
CCCCC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575588	0	54	0.0	-74.74	412.95	6.44	-68.30
COCCC[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012575589	0	58	0.0	-63.96	450.13	10.47	-53.49
COCCC[NH+]1CCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012575590	0	52	0.0	-81.42	386.63	7.31	-74.11
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012575591	0	55	0.0	-60.97	398.54	8.02	-52.95
COCCC[NH+]1CCC(NC(=O)NC(COC)C(=O)[O-])CC1	REAL300012575592	0	49	0.0	-77.04	382.65	3.12	-73.92
CCCCCC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575593	0	57	0.0	-73.67	435.29	7.20	-66.47
CCC1CCC(NC(=O)NC2CC[NH+](CCCOC)CC2)(C(=O)[O-])CC1	REAL300012575594	0	61	0.0	-78.29	438.92	8.31	-69.98
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012575595	0	56	0.0	-62.31	413.49	6.58	-55.73
COCCC[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012575596	0	55	0.0	-81.86	397.67	7.94	-73.92
COCCC[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012575597	0	52	0.0	-63.38	387.40	7.43	-55.95
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](CCCOC)CC1)C1CC1	REAL300012575598	0	55	0.0	-67.08	407.06	8.45	-58.63
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012575599	0	52	0.0	-79.18	418.38	7.34	-71.84
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012575600	0	52	0.0	-83.23	410.92	7.01	-76.22
COCCC[NH+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012575601	0	56	0.0	-65.76	421.34	9.36	-56.40
COCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012575602	0	55	0.0	-79.63	443.12	8.16	-71.47
COCCC[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012575603	0	61	0.0	-76.78	451.17	8.08	-68.70
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012575604	0	58	0.0	-62.46	439.90	10.31	-52.15
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300012575605	0	55	0.0	-77.54	427.90	7.60	-69.94
COCCC[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012575606	0	48	0.0	-68.00	386.48	5.65	-62.35
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012575607	0	58	0.0	-79.09	452.48	9.19	-69.90
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012575608	0	53	0.0	-75.60	397.53	6.73	-68.87
COCCC[NH+]1CCC(NC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300012575609	0	52	0.0	-76.83	393.17	4.53	-72.30
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CCCOC)CC1	REAL300012575610	0	55	0.0	-74.23	412.38	6.26	-67.97
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012575611	0	54	0.0	-63.65	404.44	7.94	-55.71
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](CCCOC)CC1	REAL300012575612	0	61	0.0	-61.86	455.79	11.03	-50.83
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012575613	0	49	0.0	-78.72	369.36	6.95	-71.77
COCCC[NH+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012575614	0	51	0.0	-63.60	407.91	7.81	-55.79
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012575615	0	50	0.0	-75.22	375.98	3.36	-71.86
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012575616	0	58	0.0	-78.19	424.08	7.05	-71.14
COCCC[NH+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012575617	0	59	0.0	-75.68	439.10	7.63	-68.05
COCCC[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012575618	0	59	0.0	-83.60	444.37	11.02	-72.58
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012575619	0	53	0.0	-78.61	391.28	4.57	-74.04
C=CCCC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575620	0	52	0.0	-73.03	404.86	6.26	-66.77
COCCC[NH+]1CCC(NC(=O)NC(CF)C(=O)[O-])CC1	REAL300012575621	0	45	0.0	-64.07	352.41	3.90	-60.17
COCCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012575622	0	58	0.0	-55.20	436.54	10.73	-44.47
COCCC[NH+]1CCC(NC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012575623	0	48	0.0	-72.57	360.88	5.95	-66.62
CCC(CC)(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575624	0	54	0.0	-73.39	391.31	6.13	-67.26
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)CC1	REAL300012575625	0	56	0.0	-75.01	435.97	6.20	-68.81
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CCCOC)CC1	REAL300012575626	0	54	0.0	-62.92	399.01	8.00	-54.92
CCC(COC)(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575627	0	55	0.0	-77.97	409.61	5.44	-72.53
COCCC[NH+]1CCC(NC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012575628	0	58	0.0	-74.63	432.83	7.13	-67.50
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012575629	0	55	0.0	-80.42	416.35	3.06	-77.36
COCCC[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012575630	0	52	0.0	-76.12	402.45	6.27	-69.85
COCCC[NH+]1CCC(NC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012575631	0	52	0.0	-73.98	404.46	3.93	-70.05
COCCC[NH+]1CCC(NC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012575632	0	57	0.0	-73.05	419.03	8.36	-64.69
COCCC[NH+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012575633	0	48	0.0	-70.30	380.58	5.42	-64.88
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CCCOC)CC1	REAL300012575634	0	58	0.0	-84.37	420.86	9.25	-75.12
CCCN(C(=O)NC1CC[NH+](CCCOC)CC1)C(C)C(=O)[O-]	REAL300012575635	0	54	0.0	-57.90	400.95	8.23	-49.67
COCCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012575636	0	58	0.0	-81.16	437.37	10.54	-70.62
CCC(NC(=O)NC1CC[NH+](CCCOC)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012575637	0	58	0.0	-77.89	431.28	8.59	-69.30
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300012575638	0	62	0.0	-81.87	456.52	6.06	-75.81
COCCC[NH+]1CCC(NC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012575639	0	48	0.0	-72.12	377.14	5.08	-67.04
COCCC[NH+]1CCC(NC(=O)NC(CC2(OC)CCC2)C(=O)[O-])CC1	REAL300012575640	0	59	0.0	-75.76	440.68	5.96	-69.80
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012575641	0	56	0.0	-62.31	413.49	6.58	-55.73
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012575642	0	58	0.0	-62.41	422.00	8.94	-53.47
COCCC[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012575643	0	58	0.0	-78.97	413.63	7.43	-71.54
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012575644	0	56	0.0	-79.51	435.79	6.29	-73.22
COCCC[NH+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012575645	0	51	0.0	-69.55	381.52	5.38	-64.17
COCCC[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012575646	0	53	0.0	-66.84	404.22	7.54	-59.30
COCCC[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012575647	0	49	0.0	-76.49	384.74	6.54	-69.95
COCCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012575648	0	56	0.0	-79.32	435.40	6.25	-73.07
COCCC[NH+]1CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012575649	0	48	0.0	-72.53	360.85	5.82	-66.71
COCCC[NH+]1CCC(NC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])CC1	REAL300012575650	0	58	0.0	-83.32	435.40	8.66	-74.66
COCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])CC1	REAL300012575651	0	59	0.0	-76.52	457.97	7.22	-69.30
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012575652	0	61	0.0	-79.81	427.75	7.93	-71.88
COCCC[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012575653	0	50	0.0	-87.59	377.52	7.34	-80.25
COCCC[NH+]1CCC(NC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300012575654	0	56	0.0	-79.89	418.55	6.34	-73.55
COCCC[NH+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012575655	0	59	0.0	-75.85	441.74	5.69	-70.16
COCCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012575656	0	54	0.0	-76.15	399.54	5.98	-70.17
C=C(Cl)CC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575657	0	49	0.0	-70.20	399.26	5.99	-64.21
C=C(C)CC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575658	0	52	0.0	-73.69	401.30	6.41	-67.28
COCCC[NH+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012575659	0	53	0.0	-88.51	391.66	8.20	-80.31
COCCC[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012575660	0	58	0.0	-74.69	438.30	8.12	-66.57
COCCC[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012575661	0	49	0.0	-76.67	384.75	6.54	-70.13
COCCC[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012575662	0	49	0.0	-79.68	376.93	6.46	-73.22
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CCCOC)CC2)C1	REAL300012575663	0	50	0.0	-82.07	383.73	6.89	-75.18
COCCC[NH+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012575664	0	59	0.0	-76.69	437.59	6.34	-70.35
COCCC[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012575665	0	54	0.0	-76.71	409.03	6.16	-70.55
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012575666	0	56	0.0	-75.67	417.46	4.86	-70.81
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012575667	0	52	0.0	-77.58	406.53	6.93	-70.65
COCCC[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012575668	0	52	0.0	-76.12	402.45	6.27	-69.85
COCCC[NH+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012575669	0	51	0.0	-71.89	414.47	5.05	-66.84
COCCC[NH+]1CCC(NC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012575670	0	60	0.0	-73.14	452.61	7.78	-65.36
COCCC[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012575671	0	56	0.0	-80.44	426.54	5.25	-75.19
COCCC[NH+]1CCC(NC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012575672	0	49	0.0	-72.05	393.59	5.33	-66.72
COCCC[NH+]1CCC(NC(=O)N[C@@H](COC)C(=O)[O-])CC1	REAL300012575673	0	49	0.0	-74.79	381.71	3.08	-71.71
CC[C@H](NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575674	0	48	0.0	-75.97	370.09	4.91	-71.06
COCCC[NH+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012575675	0	55	0.0	-75.03	434.93	7.99	-67.04
CCC(C)CC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575676	0	57	0.0	-73.47	427.48	6.89	-66.58
C=CCCCC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575677	0	55	0.0	-74.27	425.76	7.00	-67.27
COCCC[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012575678	0	55	0.0	-75.06	434.29	7.95	-67.11
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012575679	0	58	0.0	-80.64	446.28	9.11	-71.53
COCCC[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012575680	0	50	0.0	-82.20	380.33	7.87	-74.33
COCCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012575681	0	55	0.0	-77.53	414.30	7.70	-69.83
COCCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012575682	0	49	0.0	-82.88	371.75	6.38	-76.50
CCCC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575683	0	51	0.0	-73.26	392.05	5.70	-67.56
COCCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300012575684	0	51	0.0	-75.88	382.45	5.18	-70.70
COCCC[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012575685	0	53	0.0	-86.57	391.10	8.36	-78.21
CCN(C(=O)NC1CC[NH+](CCCOC)CC1)C(C)(C)C(=O)[O-]	REAL300012575686	0	54	0.0	-78.17	395.02	7.60	-70.57
CCCN(C(=O)NC1CC[NH+](CCCOC)CC1)C(C)C(=O)[O-]	REAL300012575687	0	54	0.0	-57.90	400.95	8.23	-49.67
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012575688	0	48	0.0	-71.52	382.89	7.16	-64.36
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012575689	0	48	0.0	-71.52	382.89	7.16	-64.36
COCCC[NH+]1CCC(NC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012575690	0	51	0.0	-78.46	375.94	6.77	-71.69
COCCC[NH+]1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012575691	0	49	0.0	-79.51	370.43	6.39	-73.12
COCCC[NH+]1CCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012575692	0	61	0.0	-62.09	456.61	5.15	-56.94
COCCC[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012575693	0	50	0.0	-83.98	381.12	3.05	-80.93
COCCC[NH+]1CCC(NC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012575694	1	65	0.0	-63.36	480.65	4.85	-58.51
COCCC[NH+]1CCC(NC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])CC1	REAL300012575695	0	56	0.0	-60.02	423.05	9.86	-50.16
COCCC[NH+]1CCC(NC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012575696	0	59	0.0	-68.12	433.07	9.91	-58.21
CCC[C@@H](NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575697	0	51	0.0	-75.61	391.59	5.68	-69.93
COCCC[NH+]1CCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012575698	0	57	0.0	-76.83	426.11	8.06	-68.77
COCCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012575699	0	52	0.0	-77.58	406.53	6.93	-70.65
COCCC[NH+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012575700	0	57	0.0	-78.25	446.64	6.87	-71.38
C=CCCC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575701	0	52	0.0	-73.03	404.86	6.26	-66.77
COCCC[NH+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012575702	0	51	0.0	-79.19	415.75	4.88	-74.31
COCCC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012575703	0	52	0.0	-90.27	399.68	4.30	-85.97
COCCC[NH+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012575704	0	53	0.0	-76.43	396.95	6.02	-70.41
COCCC[NH+]1CCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012575705	0	52	0.0	-81.18	386.15	7.31	-73.87
COCCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300012575706	0	51	0.0	-75.47	381.46	5.16	-70.31
COCCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012575707	0	52	0.0	-77.75	406.46	6.91	-70.84
COCCC[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012575708	0	55	0.0	-78.44	415.95	6.26	-72.18
COCCC[NH+]1CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012575709	0	48	0.0	-72.53	360.85	5.82	-66.71
CCC[C@H](NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575710	0	51	0.0	-75.70	391.00	5.63	-70.07
CCN(C(=O)NC1CC[NH+](CCCOC)CC1)C(C)C(=O)[O-]	REAL300012575711	0	51	0.0	-74.04	379.19	6.78	-67.26
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012575712	0	55	0.0	-60.97	398.54	8.02	-52.95
COCCC[NH+]1CCC(NC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300012575713	0	51	0.0	-79.56	382.27	6.62	-72.94
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575714	0	54	0.0	-77.22	401.57	5.81	-71.41
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CCCOC)CC1	REAL300012575715	0	51	0.0	-73.07	381.30	6.89	-66.18
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012575716	0	53	0.0	-85.13	402.10	2.73	-82.40
COCCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012575717	0	61	0.0	-78.99	453.79	6.10	-72.89
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012575718	0	55	0.0	-79.14	406.40	6.57	-72.57
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012575719	0	58	0.0	-79.44	416.33	7.34	-72.10
COCCC[NH+]1CCC(NC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012575720	0	52	0.0	-73.98	404.46	3.93	-70.05
COCCC[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012575721	0	58	0.0	-75.27	437.86	9.90	-65.37
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012575722	0	55	0.0	-80.57	407.90	7.26	-73.31
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012575723	0	52	0.0	-77.67	391.81	6.19	-71.48
COCCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012575724	0	61	0.0	-77.43	454.18	6.14	-71.29
COCCC[NH+]1CCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012575725	0	50	0.0	-87.22	380.20	3.28	-83.94
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012575726	0	53	0.0	-73.96	403.05	3.99	-69.97
COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012575727	0	53	0.0	-85.57	391.28	7.92	-77.65
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012575728	0	56	0.0	-85.18	438.41	7.00	-78.18
COCCC[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012575729	0	51	0.0	-82.57	383.73	5.58	-76.99
COCCC[NH+]1CCC(NC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012575730	0	55	0.0	-84.63	401.29	8.63	-76.00
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012575731	0	58	0.0	-74.92	445.50	8.26	-66.66
COCCC[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012575732	0	59	0.0	-73.15	438.77	8.74	-64.41
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012575733	0	52	0.0	-77.05	390.47	5.73	-71.32
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012575734	0	65	0.0	-77.79	463.61	7.60	-70.19
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012575735	0	58	0.0	-78.19	424.08	7.05	-71.14
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012575736	0	52	0.0	-77.05	390.47	5.73	-71.32
COCCC[NH+]1CCC(NC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012575737	0	52	0.0	-83.48	390.42	7.04	-76.44
C=CCC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575738	0	49	0.0	-74.98	384.10	5.32	-69.66
COCCC[NH+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012575739	0	59	0.0	-75.32	442.33	6.65	-68.67
COCCC[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012575740	0	59	0.0	-57.16	416.50	8.62	-48.54
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012575741	0	59	0.0	-78.98	420.38	5.85	-73.13
COCCC[NH+]1CCC(NC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC1	REAL300012575742	0	59	0.0	-68.29	439.37	9.81	-58.48
COCCC[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012575743	0	53	0.0	-59.68	392.26	7.80	-51.88
COCCC[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012575744	0	59	0.0	-73.15	438.77	8.74	-64.41
COCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012575745	0	55	0.0	-78.28	435.19	7.94	-70.34
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300012575746	0	53	0.0	-82.19	404.84	4.51	-77.68
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012575747	0	49	0.0	-78.04	379.89	5.58	-72.46
COCCC[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)CC1	REAL300012575748	0	53	0.0	-77.91	403.40	4.82	-73.09
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012575749	0	52	0.0	-77.75	408.31	6.63	-71.12
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CCCOC)CC1	REAL300012575750	0	55	0.0	-83.82	399.94	8.57	-75.25
COCCC[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012575751	0	48	0.0	-68.00	386.48	5.65	-62.35
COCCC[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012575752	0	56	0.0	-76.09	424.91	4.99	-71.10
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012575753	0	47	0.0	-74.05	362.29	2.58	-71.47
COCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012575754	0	52	0.0	-77.07	421.10	6.95	-70.12
COCCC[NH+]1CCC(NC(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012575755	0	59	0.0	-76.49	447.49	6.91	-69.58
COCCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012575756	0	54	0.0	-73.36	391.66	5.94	-67.42
COCCC[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012575757	0	50	0.0	-84.97	376.31	7.91	-77.06
COCCC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012575758	0	53	0.0	-83.56	392.79	7.54	-76.02
COCCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012575759	0	58	0.0	-81.16	437.37	10.54	-70.62
COCCC[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012575760	0	61	0.0	-76.78	451.17	8.08	-68.70
COCCC[NH+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012575761	0	58	0.0	-77.32	451.74	8.63	-68.69
COCCC[NH+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012575762	0	58	0.0	-76.64	451.51	8.70	-67.94
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012575763	0	59	0.0	-78.39	433.05	7.69	-70.70
COCCC[NH+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012575764	0	61	0.0	-76.67	450.71	8.05	-68.62
COCCC[NH+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012575765	0	61	0.0	-77.05	450.67	8.06	-68.99
COCCC[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012575766	0	59	0.0	-59.12	430.88	8.73	-50.39
COCCC[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012575767	0	59	0.0	-84.40	428.34	8.47	-75.93
COCCC[NH+]1CCC(NC(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])CC1	REAL300012575768	0	59	0.0	-77.31	458.03	7.23	-70.08
C=CCSCC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575769	0	53	0.0	-70.99	428.52	6.74	-64.25
COCCC[NH+]1CCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012575770	0	56	0.0	-75.72	449.58	8.27	-67.45
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](CCCOC)CC1	REAL300012575771	0	54	0.0	-74.33	395.38	7.74	-66.59
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(OC)CCC2)CC1	REAL300012575772	0	56	0.0	-73.58	417.27	4.48	-69.10
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012575773	0	58	0.0	-76.18	431.48	7.85	-68.33
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012575774	0	59	0.0	-79.30	437.77	8.97	-70.33
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012575775	0	52	0.0	-78.17	401.84	6.28	-71.89
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300012575777	0	61	0.0	-74.19	466.10	8.89	-65.30
COCCC[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012575778	0	49	0.0	-79.68	376.93	6.46	-73.22
COCCC[NH+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012575779	0	51	0.0	-60.58	385.11	7.58	-53.00
COCCC[NH+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012575780	0	55	0.0	-83.46	405.22	7.41	-76.05
CCOC1=CC=C(C(NC(=O)NC2CC[NH+](CCCOC)CC2)C(=O)[O-])C=C1	REAL300012575781	0	59	0.0	-74.83	457.82	7.13	-67.70
COCCC[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012575782	0	59	0.0	-83.28	425.71	9.43	-73.85
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012575783	0	59	0.0	-77.57	448.00	9.37	-68.20
COCCC[NH+]1CCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012575784	0	59	0.0	-81.26	448.94	7.96	-73.30
COCCC[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012575785	0	55	0.0	-80.13	442.72	7.85	-72.28
COCCC[NH+]1CCC(NC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300012575786	0	57	0.0	-73.91	431.35	6.93	-66.98
COCCC[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012575787	0	56	0.0	-59.24	416.00	8.25	-50.99
COCCC[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012575788	0	56	0.0	-76.09	424.91	4.99	-71.10
COCCC[NH+]1CCC(NC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])CC1	REAL300012575789	0	53	0.0	-79.37	412.84	7.95	-71.42
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012575790	0	56	0.0	-80.56	406.13	7.72	-72.84
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012575791	0	53	0.0	-81.13	392.83	6.79	-74.34
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012575792	0	56	0.0	-80.29	420.63	7.43	-72.86
COCCC[NH+]1CCC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012575793	0	58	0.0	-75.81	439.35	9.93	-65.88
COCCC[NH+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012575794	0	62	0.0	-59.18	445.12	9.20	-49.98
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012575795	0	55	0.0	-77.29	406.56	6.37	-70.92
COCCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300012575796	0	52	0.0	-77.71	400.33	4.09	-73.62
COCCC[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012575797	0	52	0.0	-78.04	384.95	6.10	-71.94
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012575798	0	55	0.0	-63.70	427.28	9.67	-54.03
COCCC[NH+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012575799	0	55	0.0	-59.41	408.96	7.54	-51.87
COCCC[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012575800	0	52	0.0	-81.14	391.81	7.87	-73.27
COCCC[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012575801	0	49	0.0	-86.20	383.06	6.49	-79.71
COCCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012575802	0	55	0.0	-78.28	435.19	7.94	-70.34
COCCC[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012575803	0	52	0.0	-73.46	418.75	6.80	-66.66
COCCC[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012575804	0	52	0.0	-72.27	398.28	7.42	-64.85
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012575805	0	56	0.0	-79.48	433.54	7.58	-71.90
COCCC[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012575806	0	52	0.0	-73.46	418.75	6.80	-66.66
COCCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012575807	0	56	0.0	-84.24	408.43	7.94	-76.30
COCCCC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575808	0	55	0.0	-74.03	425.13	4.73	-69.30
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CCCOC)CC1	REAL300012575809	0	54	0.0	-73.09	402.68	7.80	-65.29
CCOCC(NC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300012575810	0	52	0.0	-75.63	404.50	4.09	-71.54
COCCC[NH+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012575811	0	57	0.0	-73.75	421.38	7.33	-66.42
COCCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012575812	0	56	0.0	-76.69	421.58	5.41	-71.28
COCCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012575813	0	56	0.0	-79.12	425.83	8.22	-70.90
COCCC[NH+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012575814	0	53	0.0	-81.50	392.15	6.36	-75.14
COCCC[NH+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012575815	0	55	0.0	-73.61	412.00	7.77	-65.84
COCCC[NH+]1CCC(NC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012575816	0	49	0.0	-74.49	391.38	5.44	-69.05
COCCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012575817	0	52	0.0	-64.67	408.93	7.81	-56.86
COCCC[NH+]1CCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012575818	0	63	0.0	-82.33	442.66	8.28	-74.05
COCCC[NH+]1CCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012575819	0	54	0.0	-72.53	440.77	6.57	-65.96
COCCC[NH+]1CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012575820	0	48	0.0	-73.12	360.31	5.77	-67.35
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CCCOC)CC2)C1	REAL300012575821	0	56	0.0	-82.35	424.19	6.71	-75.64
CC1=NN2CC(NC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])CCC2=N1	REAL300012575980	0	56	0.0	-63.60	429.68	6.75	-56.85
CC1=CSC(CCCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012576730	0	58	0.0	-60.76	457.05	7.22	-53.54
C=CCOCC(NC(=O)NCC1CCCC[N@H+]1CC)C(=O)[O-]	REAL300012576858	0	49	0.0	-64.94	375.17	5.74	-59.20
C=CCOCC(NC(=O)NCC1CCCC[N@@H+]1CC)C(=O)[O-]	REAL300012576858	1	49	0.0	-69.50	370.71	5.03	-64.47
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012576859	0	52	0.0	-65.13	378.61	5.98	-59.15
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012576859	1	52	0.0	-71.65	374.56	5.32	-66.33
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012576860	0	48	0.0	-62.16	376.79	8.16	-54.00
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012576860	1	48	0.0	-65.67	372.93	7.44	-58.23
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012576861	0	48	0.0	-61.77	386.68	8.61	-53.16
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012576861	1	48	0.0	-65.46	382.82	7.88	-57.58
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012576862	0	52	0.0	-77.94	364.40	7.35	-70.59
CC[N@H+]1CCCCC1CNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012576862	1	52	0.0	-77.07	365.34	7.33	-69.74
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012576863	0	52	0.0	-67.16	373.01	5.75	-61.41
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012576863	1	52	0.0	-68.13	374.50	5.35	-62.78
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012576864	0	51	0.0	-78.31	348.81	8.79	-69.52
CC[N@H+]1CCCCC1CNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012576864	1	51	0.0	-78.59	347.54	8.96	-69.63
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012576865	0	51	0.0	-61.82	390.80	8.74	-53.08
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012576865	1	51	0.0	-67.80	386.98	8.01	-59.79
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012576866	0	53	0.0	-64.87	400.65	7.85	-57.02
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012576866	1	53	0.0	-71.10	396.66	7.18	-63.92
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012576867	0	54	0.0	-68.66	407.29	9.42	-59.24
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012576867	1	54	0.0	-69.04	402.86	8.71	-60.33
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012576868	0	54	0.0	-65.96	403.13	9.22	-56.74
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012576868	1	54	0.0	-71.80	398.65	8.52	-63.28
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012576869	0	52	0.0	-64.95	409.60	7.89	-57.06
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012576869	1	52	0.0	-68.14	405.15	7.20	-60.94
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012576870	0	54	0.0	-69.54	398.29	9.16	-60.38
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012576870	1	54	0.0	-68.10	390.89	8.45	-59.65
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012576871	0	52	0.0	-66.50	400.40	7.39	-59.11
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012576871	1	52	0.0	-68.50	395.35	6.71	-61.79
CC[N@@H+]1CCCCC1CNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012576872	0	51	0.0	-35.32	353.24	9.58	-25.74
CC[N@H+]1CCCCC1CNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012576872	1	51	0.0	-51.23	351.87	8.89	-42.34
CCCN(C(=O)NCC1CCCC[N@@H+]1CC)C(COC)C(=O)[O-]	REAL300012576873	0	54	0.0	-68.76	386.18	8.68	-60.08
CCCN(C(=O)NCC1CCCC[N@H+]1CC)C(COC)C(=O)[O-]	REAL300012576873	1	54	0.0	-67.02	380.59	7.58	-59.44
CCCN(C(=O)NCC1CCCC[N@@H+]1CC)C(CC)C(=O)[O-]	REAL300012576874	0	53	0.0	-47.38	373.24	9.74	-37.64
CCCN(C(=O)NCC1CCCC[N@H+]1CC)C(CC)C(=O)[O-]	REAL300012576874	1	53	0.0	-65.76	369.03	8.85	-56.91
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012576875	0	48	0.0	-64.74	381.19	8.61	-56.13
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012576875	1	48	0.0	-67.59	376.96	7.83	-59.76
CC[N@@H+]1CCCCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012576876	0	46	0.0	-74.65	338.34	8.89	-65.76
CC[N@H+]1CCCCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012576876	1	46	0.0	-74.39	338.84	9.10	-65.29
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012576877	0	51	0.0	-72.87	358.17	8.19	-64.68
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012576877	1	51	0.0	-68.73	358.17	8.18	-60.55
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012576878	0	54	0.0	-73.69	363.70	8.81	-64.88
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012576878	1	54	0.0	-68.10	363.76	8.82	-59.28
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012576879	0	51	0.0	-67.11	387.02	8.99	-58.12
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012576879	1	51	0.0	-69.16	382.53	8.25	-60.91
CC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012576880	0	51	0.0	-53.86	385.48	10.76	-43.10
CC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012576880	1	51	0.0	-57.42	381.03	10.05	-47.37
CC[N@@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012576881	0	48	0.0	-68.09	359.50	7.50	-60.59
CC[N@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012576881	1	48	0.0	-69.10	360.47	7.42	-61.68
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012576882	0	48	0.0	-64.64	364.46	8.09	-56.55
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012576882	1	48	0.0	-71.55	360.69	7.34	-64.21
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012576883	0	51	0.0	-67.11	387.02	8.99	-58.12
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012576883	1	51	0.0	-69.16	382.53	8.25	-60.91
CC[N@@H+]1CCCCC1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012576884	0	52	0.0	-79.29	372.65	10.63	-68.66
CC[N@H+]1CCCCC1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012576884	1	52	0.0	-77.68	371.12	10.52	-67.16
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012576885	0	45	0.0	-66.13	356.10	7.17	-58.96
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012576885	1	45	0.0	-68.60	351.28	6.42	-62.18
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012576886	0	51	0.0	-72.87	358.17	8.19	-64.68
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012576886	1	51	0.0	-68.73	358.17	8.18	-60.55
CC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012576887	0	51	0.0	-51.70	402.16	11.28	-40.42
CC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012576887	1	51	0.0	-54.36	392.16	10.32	-44.04
CC[N@@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012576888	0	55	0.0	-66.45	409.96	8.52	-57.93
CC[N@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012576888	1	55	0.0	-70.77	411.96	8.30	-62.47
CC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012576889	0	59	0.0	-48.60	444.45	9.37	-39.23
CC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012576889	1	59	0.0	-59.71	440.01	8.66	-51.05
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012576890	0	48	0.0	-64.67	385.76	8.72	-55.95
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012576890	1	48	0.0	-67.39	381.52	7.94	-59.45
CC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012576891	0	51	0.0	-51.91	391.83	10.83	-41.08
CC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012576891	1	51	0.0	-55.00	381.84	9.86	-45.14
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012576892	0	52	0.0	-71.72	378.20	8.51	-63.21
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012576892	1	52	0.0	-70.61	379.59	8.63	-61.98
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012576893	0	48	0.0	-65.74	375.53	8.17	-57.57
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012576893	1	48	0.0	-71.37	371.09	7.48	-63.89
CC[N@@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012576894	0	51	0.0	-67.10	372.51	8.84	-58.26
CC[N@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012576894	1	51	0.0	-71.22	368.04	8.11	-63.11
CCCCCCC(C)(NC(=O)NCC1CCCC[N@@H+]1CC)C(=O)[O-]	REAL300012576895	0	59	0.0	-69.66	414.22	8.70	-60.96
CCCCCCC(C)(NC(=O)NCC1CCCC[N@H+]1CC)C(=O)[O-]	REAL300012576895	1	59	0.0	-65.07	418.79	9.43	-55.64
CC[N@@H+]1CCCCC1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012576896	0	54	0.0	-67.89	393.06	10.22	-57.67
CC[N@H+]1CCCCC1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012576896	1	54	0.0	-63.30	396.07	10.99	-52.31
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012576897	0	48	0.0	-64.74	381.19	8.61	-56.13
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012576897	1	48	0.0	-67.59	376.96	7.83	-59.76
CC[N@@H+]1CCCCC1CNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012576898	0	54	0.0	-75.25	367.28	9.47	-65.78
CC[N@H+]1CCCCC1CNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012576898	1	54	0.0	-75.30	362.96	8.77	-66.53
CC[N@@H+]1CCCCC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012576899	0	54	0.0	-55.23	407.88	11.54	-43.69
CC[N@H+]1CCCCC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012576899	1	54	0.0	-58.63	403.43	10.84	-47.79
CC[N@@H+]1CCCCC1CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012576900	0	51	0.0	-65.90	366.45	9.07	-56.83
CC[N@H+]1CCCCC1CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012576900	1	51	0.0	-71.60	374.51	10.28	-61.32
CC[N@@H+]1CCCCC1CNC(=O)N(CCOC)CC(=O)[O-]	REAL300012576901	0	48	0.0	-54.66	357.86	7.29	-47.37
CC[N@H+]1CCCCC1CNC(=O)N(CCOC)CC(=O)[O-]	REAL300012576901	1	48	0.0	-58.24	353.40	6.23	-52.01
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012576902	0	52	0.0	-73.03	379.41	9.12	-63.91
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012576902	1	52	0.0	-72.38	374.95	8.40	-63.98
CC[N@@H+]1CCCCC1CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012576903	0	55	0.0	-77.30	420.87	8.89	-68.41
CC[N@H+]1CCCCC1CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012576903	1	55	0.0	-71.87	420.64	8.96	-62.91
CC[N@@H+]1CCCCC1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012576904	0	51	0.0	-72.68	348.75	9.02	-63.66
CC[N@H+]1CCCCC1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012576904	1	51	0.0	-76.78	347.88	9.29	-67.49
CC[N@@H+]1CCCCC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012576905	0	54	0.0	-55.23	407.88	11.54	-43.69
CC[N@H+]1CCCCC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012576905	1	54	0.0	-58.63	403.43	10.84	-47.79
CC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012576906	0	51	0.0	-44.61	362.82	9.33	-35.28
CC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012576906	1	51	0.0	-56.63	358.84	8.65	-47.98
CCCCCC(NC(=O)NCC1CCCC[N@@H+]1CC)C(=O)[O-]	REAL300012576907	0	53	0.0	-66.79	388.35	7.63	-59.16
CCCCCC(NC(=O)NCC1CCCC[N@H+]1CC)C(=O)[O-]	REAL300012576907	1	53	0.0	-65.13	393.15	8.30	-56.83
CCC1CCC(NC(=O)NCC2CCCC[N@@H+]2CC)(C(=O)[O-])CC1	REAL300012576908	0	57	0.0	-64.39	390.90	8.71	-55.68
CCC1CCC(NC(=O)NCC2CCCC[N@H+]2CC)(C(=O)[O-])CC1	REAL300012576908	1	57	0.0	-62.90	390.78	8.68	-54.22
CC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012576909	0	52	0.0	-54.03	371.35	7.66	-46.37
CC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012576909	1	52	0.0	-53.97	371.32	7.67	-46.30
CC[N@@H+]1CCCCC1CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012576910	0	51	0.0	-69.73	354.12	8.75	-60.98
CC[N@H+]1CCCCC1CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012576910	1	51	0.0	-75.39	354.04	8.75	-66.64
CCC(C(=O)[O-])N(C(=O)NCC1CCCC[N@@H+]1CC)C1CC1	REAL300012576911	0	51	0.0	-60.86	360.86	8.66	-52.20
CCC(C(=O)[O-])N(C(=O)NCC1CCCC[N@H+]1CC)C1CC1	REAL300012576911	1	51	0.0	-52.58	365.45	9.41	-43.17
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012576912	0	48	0.0	-70.70	376.23	8.46	-62.24
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012576912	1	48	0.0	-72.61	372.21	7.73	-64.88
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012576913	0	48	0.0	-74.43	368.96	8.12	-66.31
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012576913	1	48	0.0	-76.61	364.65	7.41	-69.20
CC[N@@H+]1CCCCC1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012576914	0	52	0.0	-56.95	376.02	9.67	-47.28
CC[N@H+]1CCCCC1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012576914	1	52	0.0	-60.98	375.89	9.69	-51.29
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012576915	0	51	0.0	-74.03	402.10	9.29	-64.74
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012576915	1	51	0.0	-74.61	397.23	8.50	-66.11
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012576916	0	57	0.0	-63.59	424.95	11.73	-51.86
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012576916	1	57	0.0	-72.86	426.41	10.41	-62.45
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012576917	0	57	0.0	-65.02	408.15	9.18	-55.84
CC[N@H+]1CCCCC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012576917	1	57	0.0	-70.73	404.43	8.45	-62.28
CC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012576918	0	54	0.0	-42.62	387.88	10.31	-32.31
CC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012576918	1	54	0.0	-57.28	393.26	10.86	-46.42
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012576919	0	51	0.0	-66.47	386.19	8.72	-57.75
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012576919	1	51	0.0	-69.67	382.10	8.01	-61.66
CC[N@@H+]1CCCCC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012576920	0	44	0.0	-62.53	344.58	6.66	-55.87
CC[N@H+]1CCCCC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012576920	1	44	0.0	-64.79	340.49	5.96	-58.83
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012576921	0	54	0.0	-66.12	410.09	10.30	-55.82
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012576921	1	54	0.0	-72.62	406.07	9.63	-62.99
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012576922	0	49	0.0	-69.01	355.85	7.85	-61.16
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012576922	1	49	0.0	-65.40	355.86	7.88	-57.52
CC[N@@H+]1CCCCC1CNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012576923	0	48	0.0	-67.80	350.93	5.60	-62.20
CC[N@H+]1CCCCC1CNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012576923	1	48	0.0	-71.00	346.48	4.89	-66.11
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1CC	REAL300012576924	0	51	0.0	-68.24	366.72	6.62	-61.62
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1CC	REAL300012576924	1	51	0.0	-65.71	366.48	6.56	-59.15
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC	REAL300012576925	0	57	0.0	-51.02	401.04	10.51	-40.51
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC	REAL300012576925	1	57	0.0	-39.19	406.87	10.93	-28.26
CC[N@@H+]1CCCCC1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012576926	0	47	0.0	-46.27	366.10	8.90	-37.37
CC[N@H+]1CCCCC1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012576926	1	47	0.0	-57.79	361.66	8.19	-49.60
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012576927	0	54	0.0	-65.86	382.86	8.14	-57.72
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012576927	1	54	0.0	-69.47	377.83	7.44	-62.03
CC[N@@H+]1CCCCC1CNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012576928	0	55	0.0	-67.91	393.62	7.96	-59.95
CC[N@H+]1CCCCC1CNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012576928	1	55	0.0	-66.89	393.65	8.04	-58.85
CC[N@@H+]1CCCCC1CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012576929	0	55	0.0	-45.02	404.03	11.46	-33.56
CC[N@H+]1CCCCC1CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012576929	1	55	0.0	-45.18	397.43	11.12	-34.06
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012576930	0	49	0.0	-72.21	349.59	5.71	-66.50
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012576930	1	49	0.0	-68.35	349.60	5.69	-62.66
CC[N@@H+]1CCCCC1CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012576931	0	54	0.0	-51.80	389.80	10.55	-41.25
CC[N@H+]1CCCCC1CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012576931	1	54	0.0	-59.70	385.29	9.85	-49.85
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012576932	0	52	0.0	-66.41	394.28	7.34	-59.07
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012576932	1	52	0.0	-70.22	389.12	6.64	-63.58
CC[N@@H+]1CCCCC1CNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012576933	0	51	0.0	-73.81	367.38	6.51	-67.30
CC[N@H+]1CCCCC1CNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012576933	1	51	0.0	-72.15	362.92	5.81	-66.34
CC[N@@H+]1CCCCC1CNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012576934	0	54	0.0	-66.00	387.37	7.41	-58.59
CC[N@H+]1CCCCC1CNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012576934	1	54	0.0	-68.71	386.99	7.37	-61.34
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012576935	0	51	0.0	-74.07	374.60	4.17	-69.90
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012576935	1	51	0.0	-70.92	374.68	4.17	-66.75
CC[N@@H+]1CCCCC1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012576936	0	48	0.0	-68.69	362.22	5.00	-63.69
CC[N@H+]1CCCCC1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012576936	1	48	0.0	-69.82	356.94	4.31	-65.51
CC[N@@H+]1CCCCC1CNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012576937	0	53	0.0	-68.00	374.91	8.82	-59.18
CC[N@H+]1CCCCC1CNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012576937	1	53	0.0	-67.03	373.38	8.64	-58.39
CC[N@@H+]1CCCCC1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012576938	0	44	0.0	-68.25	340.90	6.22	-62.03
CC[N@H+]1CCCCC1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012576938	1	44	0.0	-64.71	333.88	5.77	-58.94
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@@H+]1CC	REAL300012576939	0	54	0.0	-75.32	374.24	9.42	-65.90
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@H+]1CC	REAL300012576939	1	54	0.0	-78.54	378.88	10.29	-68.25
CC[N@@H+]1CCCCC1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012576940	0	54	0.0	-42.12	390.35	11.30	-30.82
CC[N@H+]1CCCCC1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012576940	1	54	0.0	-51.63	393.08	10.86	-40.77
CC[N@@H+]1CCCCC1CNC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012576941	0	54	0.0	-63.40	406.12	10.17	-53.23
CC[N@H+]1CCCCC1CNC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012576941	1	54	0.0	-66.27	401.75	9.51	-56.76
CC[N@@H+]1CCCCC1CNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300012576942	0	54	0.0	-70.72	389.60	9.72	-61.00
CC[N@H+]1CCCCC1CNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300012576942	1	54	0.0	-71.91	384.97	8.96	-62.95
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012576943	0	58	0.0	-65.51	414.81	7.53	-57.98
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012576943	1	58	0.0	-74.58	415.21	6.70	-67.88
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012576944	0	55	0.0	-69.11	397.55	7.46	-61.65
CC[N@H+]1CCCCC1CNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012576944	1	55	0.0	-72.69	395.15	6.40	-66.29
CC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012576945	0	52	0.0	-54.03	371.35	7.66	-46.37
CC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012576945	1	52	0.0	-53.97	371.32	7.67	-46.30
CC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012576946	0	54	0.0	-43.84	374.99	9.51	-34.33
CC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012576946	1	54	0.0	-57.06	376.23	9.35	-47.71
CC[N@@H+]1CCCCC1CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012576947	0	54	0.0	-73.47	367.41	7.86	-65.61
CC[N@H+]1CCCCC1CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012576947	1	54	0.0	-72.65	371.88	8.55	-64.10
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012576948	0	52	0.0	-67.08	393.61	7.33	-59.75
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012576948	1	52	0.0	-72.66	389.16	6.63	-66.03
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012576949	0	48	0.0	-69.86	379.64	8.52	-61.34
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012576949	1	48	0.0	-71.15	373.85	7.78	-63.37
CC[N@@H+]1CCCCC1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012576950	0	47	0.0	-61.87	339.38	6.48	-55.39
CC[N@H+]1CCCCC1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012576950	1	47	0.0	-66.47	334.82	5.75	-60.72
CC[N@@H+]1CCCCC1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012576951	0	49	0.0	-50.57	356.27	7.96	-42.61
CC[N@H+]1CCCCC1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012576951	1	49	0.0	-60.12	357.94	7.93	-52.19
CC[N@@H+]1CCCCC1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012576952	0	45	0.0	-68.97	341.16	7.73	-61.24
CC[N@H+]1CCCCC1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012576952	1	45	0.0	-67.06	342.54	7.63	-59.43
CC[N@@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012576953	0	52	0.0	-68.26	388.35	6.81	-61.45
CC[N@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012576953	1	52	0.0	-70.17	393.59	7.33	-62.84
CC[N@@H+]1CCCCC1CNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012576954	0	54	0.0	-73.43	390.39	8.22	-65.21
CC[N@H+]1CCCCC1CNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012576954	1	54	0.0	-74.58	388.36	8.77	-65.81
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012576955	0	55	0.0	-64.09	416.43	8.26	-55.83
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012576955	1	55	0.0	-69.65	411.14	7.56	-62.09
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012576956	0	57	0.0	-74.62	386.10	9.04	-65.58
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012576956	1	57	0.0	-74.20	385.93	9.02	-65.18
CC[N@@H+]1CCCCC1CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012576957	0	54	0.0	-62.59	406.84	9.67	-52.92
CC[N@H+]1CCCCC1CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012576957	1	54	0.0	-66.01	402.39	8.96	-57.05
CC[N@@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012576958	0	53	0.0	-70.72	401.26	9.45	-61.27
CC[N@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012576958	1	53	0.0	-60.33	400.67	9.48	-50.85
CC[N@@H+]1CCCCC1CNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012576959	0	52	0.0	-75.82	377.70	7.38	-68.44
CC[N@H+]1CCCCC1CNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012576959	1	52	0.0	-74.83	371.86	6.72	-68.11
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012576960	0	55	0.0	-66.33	395.52	7.52	-58.81
CC[N@H+]1CCCCC1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012576960	1	55	0.0	-66.92	391.31	6.75	-60.17
C=C(Cl)CC(NC(=O)NCC1CCCC[N@H+]1CC)C(=O)[O-]	REAL300012576961	0	45	0.0	-63.69	357.02	7.07	-56.62
C=C(Cl)CC(NC(=O)NCC1CCCC[N@@H+]1CC)C(=O)[O-]	REAL300012576961	1	45	0.0	-63.20	352.33	6.42	-56.78
CC[N@@H+]1CCCCC1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012576962	0	49	0.0	-79.88	347.27	9.33	-70.55
CC[N@H+]1CCCCC1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012576962	1	49	0.0	-81.87	344.78	8.61	-73.26
CC[N@@H+]1CCCCC1CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012576963	0	54	0.0	-63.26	396.52	9.22	-54.04
CC[N@H+]1CCCCC1CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012576963	1	54	0.0	-66.58	392.06	8.51	-58.07
CC[N@@H+]1CCCCC1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012576964	0	45	0.0	-65.82	340.39	8.04	-57.78
CC[N@H+]1CCCCC1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012576964	1	45	0.0	-70.37	337.02	7.04	-63.33
CC[N@@H+]1CCCCC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012576965	0	45	0.0	-69.48	328.59	7.43	-62.05
CC[N@H+]1CCCCC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012576965	1	45	0.0	-72.84	333.80	7.96	-64.88
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012576966	0	55	0.0	-70.08	399.77	6.82	-63.26
CC[N@H+]1CCCCC1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012576966	1	55	0.0	-70.60	391.57	6.81	-63.79
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012576967	0	52	0.0	-65.13	378.61	5.98	-59.15
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012576967	1	52	0.0	-71.65	374.56	5.32	-66.33
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012576968	0	48	0.0	-64.64	364.46	8.09	-56.55
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012576968	1	48	0.0	-71.55	360.69	7.34	-64.21
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012576969	0	51	0.0	-67.80	403.77	9.03	-58.77
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012576969	1	51	0.0	-67.51	399.07	8.40	-59.11
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012576970	0	47	0.0	-68.89	373.48	6.15	-62.74
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012576970	1	47	0.0	-68.58	369.30	5.51	-63.07
CC[N@@H+]1CCCCC1CNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012576971	0	56	0.0	-64.29	409.89	8.82	-55.47
CC[N@H+]1CCCCC1CNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012576971	1	56	0.0	-67.28	406.16	8.08	-59.20
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012576972	0	54	0.0	-67.11	416.85	9.35	-57.76
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012576972	1	54	0.0	-66.64	412.15	8.72	-57.92
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012576973	0	52	0.0	-62.08	382.90	6.87	-55.21
CC[N@H+]1CCCCC1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012576973	1	52	0.0	-74.68	381.23	5.61	-69.07
CC[N@@H+]1CCCCC1CNC(=O)NC(CSC)C(=O)[O-]	REAL300012576974	0	45	0.0	-60.42	351.35	6.38	-54.04
CC[N@H+]1CCCCC1CNC(=O)NC(CSC)C(=O)[O-]	REAL300012576974	1	45	0.0	-65.30	347.80	5.59	-59.71
CC[N@@H+]1CCCCC1CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012576975	0	51	0.0	-67.91	387.92	8.57	-59.34
CC[N@H+]1CCCCC1CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012576975	1	51	0.0	-67.24	388.93	8.32	-58.92
CCC(C)CC(NC(=O)NCC1CCCC[N@@H+]1CC)C(=O)[O-]	REAL300012576976	0	53	0.0	-67.74	381.03	7.19	-60.55
CCC(C)CC(NC(=O)NCC1CCCC[N@H+]1CC)C(=O)[O-]	REAL300012576976	1	53	0.0	-69.12	385.14	7.89	-61.23
C=CCCCC(NC(=O)NCC1CCCC[N@H+]1CC)C(=O)[O-]	REAL300012576977	0	51	0.0	-67.92	384.12	8.11	-59.81
C=CCCCC(NC(=O)NCC1CCCC[N@@H+]1CC)C(=O)[O-]	REAL300012576977	1	51	0.0	-67.48	379.90	7.34	-60.14
CC[N@@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012576978	0	51	0.0	-64.69	387.27	8.51	-56.18
CC[N@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012576978	1	51	0.0	-69.97	389.34	8.36	-61.61
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012576979	0	54	0.0	-69.82	404.89	10.18	-59.64
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012576979	1	54	0.0	-72.30	401.03	9.46	-62.84
CC[N@@H+]1CCCCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012576980	0	46	0.0	-74.65	338.34	8.89	-65.76
CC[N@H+]1CCCCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012576980	1	46	0.0	-74.39	338.84	9.10	-65.29
CC[N@@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012576981	0	51	0.0	-67.10	372.51	8.84	-58.26
CC[N@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012576981	1	51	0.0	-71.22	368.04	8.11	-63.11
CC[N@@H+]1CCCCC1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012576982	0	49	0.0	-80.73	344.80	8.75	-71.98
CC[N@H+]1CCCCC1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012576982	1	49	0.0	-81.63	344.01	8.92	-72.71
CC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012576983	0	44	0.0	-71.01	334.26	8.01	-63.00
CC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012576983	1	44	0.0	-60.05	342.58	8.04	-52.01
CC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012576984	0	44	0.0	-71.01	334.26	8.01	-63.00
CC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012576984	1	44	0.0	-60.05	342.58	8.04	-52.01
CC[N@@H+]1CCCCC1CNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012576985	0	57	0.0	-55.16	408.45	5.85	-49.31
CC[N@H+]1CCCCC1CNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012576985	1	57	0.0	-58.34	410.37	5.53	-52.81
CC[N@@H+]1CCCCC1CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012576986	1	61	0.0	-47.79	440.12	6.12	-41.67
CC[N@H+]1CCCCC1CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012576986	1	61	0.0	-58.11	435.56	5.40	-52.71
CC[N@@H+]1CCCCC1CNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012576987	0	52	0.0	-69.08	380.01	10.62	-58.46
CC[N@H+]1CCCCC1CNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012576987	1	52	0.0	-76.45	373.40	10.79	-65.66
CC[N@@H+]1CCCCC1CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012576988	0	55	0.0	-51.32	391.61	10.99	-40.33
CC[N@H+]1CCCCC1CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012576988	1	55	0.0	-59.43	391.21	10.99	-48.44
CC[N@@H+]1CCCCC1CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012576989	0	53	0.0	-65.87	378.88	8.63	-57.24
CC[N@H+]1CCCCC1CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012576989	1	53	0.0	-69.82	380.51	8.48	-61.34
CC[N@@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012576990	0	48	0.0	-68.09	359.50	7.50	-60.59
CC[N@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012576990	1	48	0.0	-69.10	360.47	7.42	-61.68
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012576991	0	51	0.0	-62.06	402.92	9.07	-52.99
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012576991	1	51	0.0	-66.46	398.37	8.34	-58.12
CC[N@@H+]1CCCCC1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012576992	0	53	0.0	-66.24	404.84	7.96	-58.28
CC[N@H+]1CCCCC1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012576992	1	53	0.0	-69.46	400.38	7.26	-62.20
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012576993	0	47	0.0	-60.63	373.51	6.01	-54.62
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012576993	1	47	0.0	-71.00	369.18	5.35	-65.65
CC[N@@H+]1CCCCC1CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012576994	0	48	0.0	-62.04	387.78	7.25	-54.79
CC[N@H+]1CCCCC1CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012576994	1	48	0.0	-67.13	389.02	7.10	-60.03
CC[N@@H+]1CCCCC1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012576995	0	48	0.0	-85.43	357.76	5.41	-80.02
CC[N@H+]1CCCCC1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012576995	1	48	0.0	-82.67	357.71	5.41	-77.26
CC[N@@H+]1CCCCC1CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012576996	0	49	0.0	-68.46	355.73	7.23	-61.23
CC[N@H+]1CCCCC1CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012576996	1	49	0.0	-69.21	351.18	6.39	-62.82
CC[N@@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012576997	0	48	0.0	-64.39	364.08	8.04	-56.35
CC[N@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012576997	1	48	0.0	-70.95	360.08	7.37	-63.58
CC[N@@H+]1CCCCC1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012576998	0	51	0.0	-63.72	378.52	7.39	-56.33
CC[N@H+]1CCCCC1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012576998	1	51	0.0	-70.33	374.32	6.67	-63.66
CC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012576999	0	51	0.0	-44.61	362.82	9.33	-35.28
CC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012576999	1	51	0.0	-56.63	358.84	8.65	-47.98
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012577000	0	49	0.0	-76.30	355.86	3.14	-73.16
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012577000	1	49	0.0	-71.72	357.49	3.24	-68.48
CC[N@@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012577001	0	57	0.0	-66.63	406.80	6.73	-59.90
CC[N@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012577001	1	57	0.0	-71.72	406.64	6.53	-65.19
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012577002	0	51	0.0	-67.64	364.77	7.65	-59.99
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012577002	1	51	0.0	-72.31	364.63	7.67	-64.64
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012577003	0	54	0.0	-67.36	374.11	8.41	-58.95
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012577003	1	54	0.0	-72.34	374.13	8.39	-63.95
CC[N@@H+]1CCCCC1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012577004	0	48	0.0	-68.69	362.22	5.00	-63.69
CC[N@H+]1CCCCC1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012577004	1	48	0.0	-69.82	356.94	4.31	-65.51
CC[N@@H+]1CCCCC1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012577005	0	54	0.0	-67.89	393.06	10.22	-57.67
CC[N@H+]1CCCCC1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012577005	1	54	0.0	-63.30	396.07	10.99	-52.31
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012577006	0	51	0.0	-74.65	361.30	7.67	-66.98
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012577006	1	51	0.0	-71.37	360.54	7.84	-63.53
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012577007	0	58	0.0	-70.23	413.69	10.41	-59.82
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012577007	1	58	0.0	-74.47	408.88	9.64	-64.83
CC[N@@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012577008	0	57	0.0	-68.70	407.11	6.70	-62.00
CC[N@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012577008	1	57	0.0	-68.51	407.42	6.58	-61.93
CC[N@@H+]1CCCCC1CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012577009	0	56	0.0	-50.94	401.72	10.95	-39.99
CC[N@H+]1CCCCC1CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012577009	1	56	0.0	-49.01	401.62	11.04	-37.97
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012577010	0	49	0.0	-61.34	359.32	5.01	-56.33
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012577010	1	49	0.0	-73.57	351.74	4.24	-69.33
CC[N@@H+]1CCCCC1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012577011	0	49	0.0	-75.01	349.36	8.99	-66.02
CC[N@H+]1CCCCC1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012577011	1	49	0.0	-79.18	349.02	9.00	-70.18
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012577012	0	52	0.0	-75.98	396.40	8.15	-67.83
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012577012	1	52	0.0	-78.15	392.39	7.37	-70.78
CC[N@@H+]1CCCCC1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012577013	0	47	0.0	-75.80	337.85	6.00	-69.80
CC[N@H+]1CCCCC1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012577013	1	47	0.0	-75.31	336.87	6.04	-69.27
CC[N@@H+]1CCCCC1CNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012577014	0	51	0.0	-75.68	354.74	8.77	-66.91
CC[N@H+]1CCCCC1CNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012577014	1	51	0.0	-76.36	349.83	9.00	-67.36
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012577015	0	54	0.0	-64.88	403.70	9.37	-55.51
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012577015	1	54	0.0	-67.22	397.70	8.62	-58.60
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012577016	0	55	0.0	-68.63	401.20	9.08	-59.55
CC[N@H+]1CCCCC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012577016	1	55	0.0	-70.11	392.17	9.04	-61.07
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012577017	0	61	0.0	-72.14	422.04	8.82	-63.32
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012577017	1	61	0.0	-69.42	417.53	8.07	-61.35
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012577018	0	54	0.0	-65.86	382.86	8.14	-57.72
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012577018	1	54	0.0	-69.47	377.83	7.44	-62.03
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012577019	0	55	0.0	-67.66	402.76	7.11	-60.55
CC[N@H+]1CCCCC1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012577019	1	55	0.0	-67.89	396.79	6.99	-60.90
CC[N@@H+]1CCCCC1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012577020	0	55	0.0	-48.54	374.75	9.59	-38.95
CC[N@H+]1CCCCC1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012577020	1	55	0.0	-37.13	374.29	9.70	-27.43
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012577021	0	55	0.0	-71.70	374.46	6.29	-65.41
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012577021	1	55	0.0	-70.68	374.18	6.26	-64.42
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012577022	0	54	0.0	-70.48	425.17	10.22	-60.26
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012577022	1	54	0.0	-69.73	420.71	9.51	-60.22
CC[N@@H+]1CCCCC1CNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012577023	0	55	0.0	-82.61	388.07	10.74	-71.87
CC[N@H+]1CCCCC1CNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012577023	1	55	0.0	-83.50	388.65	10.81	-72.69
CC[N@@H+]1CCCCC1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012577024	0	49	0.0	-53.82	345.59	8.19	-45.63
CC[N@H+]1CCCCC1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012577024	1	49	0.0	-36.67	344.86	8.36	-28.31
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012577025	0	55	0.0	-68.63	401.20	9.08	-59.55
CC[N@H+]1CCCCC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012577025	1	55	0.0	-70.11	392.17	9.04	-61.07
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012577026	0	51	0.0	-61.22	393.10	9.09	-52.13
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012577026	1	51	0.0	-67.67	388.88	8.33	-59.34
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012577027	0	49	0.0	-76.40	358.46	4.93	-71.47
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012577027	1	49	0.0	-73.87	358.69	4.92	-68.95
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012577028	0	45	0.0	-71.77	338.49	6.70	-65.07
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012577028	1	45	0.0	-69.47	332.88	6.16	-63.31
CC[N@@H+]1CCCCC1CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012577029	0	49	0.0	-67.72	356.84	4.84	-62.88
CC[N@H+]1CCCCC1CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012577029	1	49	0.0	-64.81	361.16	5.54	-59.27
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012577030	0	48	0.0	-71.62	366.30	7.66	-63.96
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012577030	1	48	0.0	-66.89	367.13	7.85	-59.04
CC[N@@H+]1CCCCC1CNC(=O)N1CCCC1(CC)C(=O)[O-]	REAL300012577031	0	51	0.0	-71.96	360.21	9.59	-62.37
CC[N@H+]1CCCCC1CNC(=O)N1CCCC1(CC)C(=O)[O-]	REAL300012577031	1	51	0.0	-76.55	355.64	8.86	-67.69
CC[N@@H+]1CCCCC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012577032	0	44	0.0	-62.53	344.58	6.66	-55.87
CC[N@H+]1CCCCC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012577032	1	44	0.0	-64.79	340.49	5.96	-58.83
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012577033	0	52	0.0	-66.44	378.88	6.53	-59.91
CC[N@H+]1CCCCC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012577033	1	52	0.0	-66.22	374.42	5.82	-60.40
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012577034	0	48	0.0	-65.34	378.88	8.01	-57.33
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012577034	1	48	0.0	-71.08	374.40	7.31	-63.77
CC[N@@H+]1CCCCC1CNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012577035	0	55	0.0	-64.55	405.50	7.98	-56.57
CC[N@H+]1CCCCC1CNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012577035	1	55	0.0	-70.62	401.49	7.31	-63.31
CC[N@@H+]1CCCCC1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012577036	0	49	0.0	-78.05	346.85	7.99	-70.06
CC[N@H+]1CCCCC1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012577036	1	49	0.0	-75.71	346.55	7.94	-67.77
CC[N@@H+]1CCCCC1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012577037	0	54	0.0	-42.12	390.35	11.30	-30.82
CC[N@H+]1CCCCC1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012577037	1	54	0.0	-51.63	393.08	10.86	-40.77
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012577038	0	55	0.0	-69.32	426.18	8.53	-60.79
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012577038	1	55	0.0	-73.41	420.88	7.84	-65.57
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012577039	0	57	0.0	-65.02	408.15	9.18	-55.84
CC[N@H+]1CCCCC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012577039	1	57	0.0	-70.73	404.43	8.45	-62.28
CC[N@@H+]1CCCCC1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012577040	0	54	0.0	-64.41	409.12	9.74	-54.67
CC[N@H+]1CCCCC1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012577040	1	54	0.0	-70.45	404.66	9.04	-61.41
CC[N@@H+]1CCCCC1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012577041	0	54	0.0	-68.92	409.71	9.79	-59.13
CC[N@H+]1CCCCC1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012577041	1	54	0.0	-69.38	405.96	9.06	-60.32
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012577042	0	55	0.0	-71.59	388.10	8.69	-62.90
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012577042	1	55	0.0	-73.00	386.85	7.89	-65.11
CC[N@@H+]1CCCCC1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012577043	0	57	0.0	-69.22	408.88	9.15	-60.07
CC[N@H+]1CCCCC1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012577043	1	57	0.0	-68.89	404.87	8.51	-60.38
CC[N@@H+]1CCCCC1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012577044	0	57	0.0	-65.77	403.65	8.63	-57.14
CC[N@H+]1CCCCC1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012577044	1	57	0.0	-71.18	404.89	8.48	-62.70
CC[N@@H+]1CCCCC1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012577045	0	55	0.0	-47.95	389.76	9.84	-38.11
CC[N@H+]1CCCCC1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012577045	1	55	0.0	-38.49	388.32	9.79	-28.70
CC[N@@H+]1CCCCC1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012577046	0	55	0.0	-78.63	383.13	9.12	-69.51
CC[N@H+]1CCCCC1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012577046	1	55	0.0	-76.24	382.76	9.08	-67.16
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012577047	0	55	0.0	-72.66	429.04	8.55	-64.11
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012577047	1	55	0.0	-72.48	424.40	7.94	-64.54
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012577048	0	55	0.0	-71.23	416.18	8.32	-62.91
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012577048	1	55	0.0	-70.97	411.96	7.56	-63.41
C=CCSCC(NC(=O)NCC1CCCC[N@H+]1CC)C(=O)[O-]	REAL300012577049	0	49	0.0	-61.34	386.30	7.81	-53.53
C=CCSCC(NC(=O)NCC1CCCC[N@@H+]1CC)C(=O)[O-]	REAL300012577049	1	49	0.0	-65.16	382.07	7.03	-58.13
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012577050	0	52	0.0	-69.82	407.73	9.35	-60.47
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012577050	1	52	0.0	-70.69	403.29	8.65	-62.04
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012577051	0	55	0.0	-84.20	426.62	8.94	-75.26
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012577051	1	55	0.0	-82.96	422.63	8.27	-74.69
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012577052	0	52	0.0	-61.36	376.01	5.65	-55.71
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012577052	1	52	0.0	-65.97	376.27	5.72	-60.25
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012577053	0	54	0.0	-71.88	383.45	8.26	-63.62
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012577053	1	54	0.0	-65.87	389.79	8.98	-56.89
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012577054	0	55	0.0	-72.36	396.07	10.11	-62.25
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012577054	1	55	0.0	-72.31	396.14	10.11	-62.20
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012577055	0	48	0.0	-76.50	356.48	6.98	-69.52
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012577055	1	48	0.0	-67.66	355.80	6.71	-60.95
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012577057	0	60	0.0	-64.87	440.91	10.33	-54.54
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012577057	1	60	0.0	-68.84	436.68	9.74	-59.10
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012577058	0	57	0.0	-64.37	424.69	10.02	-54.35
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012577058	1	57	0.0	-67.91	420.26	9.32	-58.59
CC[N@@H+]1CCCCC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012577059	0	45	0.0	-69.48	328.59	7.43	-62.05
CC[N@H+]1CCCCC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012577059	1	45	0.0	-72.84	333.80	7.96	-64.88
CC[N@@H+]1CCCCC1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012577060	0	47	0.0	-40.61	343.47	8.71	-31.90
CC[N@H+]1CCCCC1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012577060	1	47	0.0	-49.03	343.32	8.67	-40.36
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012577061	0	51	0.0	-72.80	359.74	8.83	-63.97
CC[N@H+]1CCCCC1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012577061	1	51	0.0	-78.20	359.75	7.84	-70.36
CCOC1=CC=C(C(NC(=O)NCC2CCCC[N@@H+]2CC)C(=O)[O-])C=C1	REAL300012577062	0	55	0.0	-69.23	412.06	7.56	-61.67
CCOC1=CC=C(C(NC(=O)NCC2CCCC[N@H+]2CC)C(=O)[O-])C=C1	REAL300012577062	1	55	0.0	-66.22	416.14	8.26	-57.96
CC[N@@H+]1CCCCC1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012577063	0	55	0.0	-77.97	384.54	10.86	-67.11
CC[N@H+]1CCCCC1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012577063	1	55	0.0	-57.43	370.13	10.30	-47.13
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012577064	0	55	0.0	-65.52	397.29	9.78	-55.74
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012577064	1	55	0.0	-72.00	394.98	8.85	-63.15
CC[N@@H+]1CCCCC1CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012577065	0	55	0.0	-74.03	407.14	9.05	-64.98
CC[N@H+]1CCCCC1CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012577065	1	55	0.0	-75.58	402.69	8.36	-67.22
CC[N@@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012577066	0	51	0.0	-68.82	400.94	8.95	-59.87
CC[N@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012577066	1	51	0.0	-73.28	400.94	8.94	-64.34
CC[N@@H+]1CCCCC1CNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012577067	0	53	0.0	-65.33	389.22	8.04	-57.29
CC[N@H+]1CCCCC1CNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012577067	1	53	0.0	-70.63	385.12	7.34	-63.29
CC[N@@H+]1CCCCC1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012577068	0	52	0.0	-53.50	369.75	8.65	-44.85
CC[N@H+]1CCCCC1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012577068	1	52	0.0	-54.03	370.60	8.60	-45.43
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012577069	0	52	0.0	-66.44	378.88	6.53	-59.91
CC[N@H+]1CCCCC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012577069	1	52	0.0	-66.22	374.42	5.82	-60.40
CC[N@@H+]1CCCCC1CNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012577070	0	49	0.0	-71.60	365.92	8.34	-63.26
CC[N@H+]1CCCCC1CNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012577070	1	49	0.0	-73.13	370.69	9.07	-64.06
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012577071	0	52	0.0	-66.68	366.58	8.53	-58.15
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012577071	1	52	0.0	-69.81	362.14	7.81	-62.00
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012577072	0	49	0.0	-68.86	351.02	7.90	-60.96
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012577072	1	49	0.0	-75.38	346.80	7.19	-68.19
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012577073	0	52	0.0	-71.50	372.04	8.28	-63.22
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012577073	1	52	0.0	-74.42	378.69	8.53	-65.89
CC[N@@H+]1CCCCC1CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012577074	0	54	0.0	-69.34	391.11	10.18	-59.16
CC[N@H+]1CCCCC1CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012577074	1	54	0.0	-67.07	391.61	10.28	-56.79
CC[N@@H+]1CCCCC1CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012577075	0	58	0.0	-50.58	401.60	9.53	-41.05
CC[N@H+]1CCCCC1CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012577075	1	58	0.0	-44.56	398.93	9.74	-34.82
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012577076	0	51	0.0	-64.92	365.04	7.43	-57.49
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012577076	1	51	0.0	-68.64	360.38	6.75	-61.89
CC[N@@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012577077	0	48	0.0	-65.74	353.32	4.66	-61.08
CC[N@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012577077	1	48	0.0	-71.61	354.42	4.57	-67.04
CC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012577078	0	51	0.0	-53.86	385.48	10.76	-43.10
CC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012577078	1	51	0.0	-57.42	381.03	10.05	-47.37
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012577079	0	58	0.0	-68.30	438.65	11.50	-56.80
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012577079	1	58	0.0	-69.95	434.91	10.75	-59.20
CC[N@@H+]1CCCCC1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012577080	0	51	0.0	-40.99	368.16	8.63	-32.36
CC[N@H+]1CCCCC1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012577080	1	51	0.0	-51.56	369.27	8.52	-43.04
CC[N@@H+]1CCCCC1CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012577081	0	52	0.0	-73.22	383.18	10.43	-62.79
CC[N@H+]1CCCCC1CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012577081	1	52	0.0	-57.21	387.10	9.73	-47.48
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012577082	0	48	0.0	-74.72	349.53	8.97	-65.75
CC[N@H+]1CCCCC1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012577082	1	48	0.0	-74.20	349.57	8.96	-65.24
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012577083	0	45	0.0	-75.59	339.08	8.01	-67.58
CC[N@H+]1CCCCC1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012577083	1	45	0.0	-74.98	334.47	7.18	-67.80
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012577084	0	51	0.0	-61.22	393.10	9.09	-52.13
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012577084	1	51	0.0	-67.67	388.88	8.33	-59.34
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012577085	0	48	0.0	-64.68	377.80	7.86	-56.82
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012577085	1	48	0.0	-67.53	373.18	7.22	-60.31
CC[N@@H+]1CCCCC1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012577086	0	48	0.0	-68.55	356.89	8.62	-59.93
CC[N@H+]1CCCCC1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012577086	1	48	0.0	-66.53	351.97	7.83	-58.70
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012577087	0	52	0.0	-73.43	386.26	8.19	-65.24
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012577087	1	52	0.0	-72.41	387.74	8.01	-64.40
CC[N@@H+]1CCCCC1CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012577088	0	56	0.0	-72.73	411.93	9.69	-63.04
CC[N@H+]1CCCCC1CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012577088	1	56	0.0	-74.76	415.67	10.34	-64.42
CC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012577089	0	48	0.0	-64.68	377.80	7.86	-56.82
CC[N@H+]1CCCCC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012577089	1	48	0.0	-67.53	373.18	7.22	-60.31
CC[N@@H+]1CCCCC1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012577090	0	52	0.0	-78.27	360.32	8.19	-70.08
CC[N@H+]1CCCCC1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012577090	1	52	0.0	-72.79	366.28	9.20	-63.59
CC[N@@H+]1CCCCC1CNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012577091	0	51	0.0	-67.11	383.72	5.78	-61.33
CC[N@H+]1CCCCC1CNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012577091	1	51	0.0	-66.43	379.03	5.14	-61.29
CCOCC(NC(=O)NCC1CCCC[N@@H+]1CC)C(=O)[O-]	REAL300012577092	0	48	0.0	-68.79	357.67	4.50	-64.29
CCOCC(NC(=O)NCC1CCCC[N@H+]1CC)C(=O)[O-]	REAL300012577092	1	48	0.0	-69.72	362.26	5.16	-64.56
CC[N@@H+]1CCCCC1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012577093	0	53	0.0	-64.44	378.87	8.34	-56.10
CC[N@H+]1CCCCC1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012577093	1	53	0.0	-70.70	375.06	7.64	-63.06
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012577094	0	52	0.0	-69.73	372.05	5.58	-64.15
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012577094	1	52	0.0	-70.26	373.29	5.43	-64.83
CC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012577095	0	48	0.0	-67.01	385.74	8.71	-58.30
CC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012577095	1	48	0.0	-67.39	380.93	7.96	-59.43
CC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012577096	0	52	0.0	-71.72	378.20	8.51	-63.21
CC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012577096	1	52	0.0	-70.61	379.59	8.63	-61.98
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CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@H+](C)C1CC1	REAL300012577120	0	45	0.0	-66.81	368.19	7.70	-59.11
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CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@H+](C)C1CC1	REAL300012577122	0	51	0.0	-72.63	351.58	7.98	-64.65
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@@H+](C)C1CC1	REAL300012577122	1	51	0.0	-74.87	346.95	8.51	-66.36
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577123	0	48	0.0	-69.09	373.52	8.19	-60.90
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CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@@H+](C)C1CC1	REAL300012577189	1	54	0.0	-71.26	373.57	8.22	-63.04
CC(CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577190	0	51	0.0	-66.76	393.61	8.85	-57.91
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CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577201	0	44	0.0	-68.15	360.30	5.30	-62.85
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577201	1	44	0.0	-66.62	360.46	5.29	-61.33
CC(C)CCCC(NC(=O)NCC(C)[N@H+](C)C1CC1)C(=O)[O-]	REAL300012577202	0	53	0.0	-69.14	396.56	7.96	-61.18
CC(C)CCCC(NC(=O)NCC(C)[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012577202	1	53	0.0	-68.00	396.73	7.98	-60.02
CC(CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577203	0	51	0.0	-68.42	405.77	8.97	-59.45
CC(CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577203	1	51	0.0	-68.64	399.91	9.03	-59.61
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577204	0	49	0.0	-72.15	376.26	5.56	-66.59
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577204	1	49	0.0	-68.06	371.54	5.50	-62.56
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577205	0	48	0.0	-67.99	385.15	8.19	-59.80
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577205	1	48	0.0	-68.92	376.37	8.78	-60.14
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577206	0	48	0.0	-67.64	385.09	8.19	-59.45
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577206	1	48	0.0	-68.66	380.27	8.19	-60.47
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)[N@H+](C)C1CC1	REAL300012577207	0	51	0.0	-71.30	392.18	9.47	-61.83
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)[N@@H+](C)C1CC1	REAL300012577207	1	51	0.0	-73.13	389.12	9.87	-63.26
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F)[N@H+](C)C1CC1	REAL300012577208	0	49	0.0	-69.40	397.80	7.46	-61.94
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F)[N@@H+](C)C1CC1	REAL300012577208	1	49	0.0	-70.50	391.07	7.66	-62.84
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@H+](C)C1CC1	REAL300012577209	0	43	0.0	-75.48	327.74	8.54	-66.94
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577209	1	43	0.0	-76.64	316.86	8.49	-68.15
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)C1CC1	REAL300012577210	0	48	0.0	-71.17	360.22	7.94	-63.23
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)C1CC1	REAL300012577210	1	48	0.0	-69.30	359.99	7.98	-61.32
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC(Br)=C1)[N@H+](C)C1CC1	REAL300012577211	0	48	0.0	-69.70	380.58	8.59	-61.11
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC(Br)=C1)[N@@H+](C)C1CC1	REAL300012577211	1	48	0.0	-65.54	380.76	8.42	-57.12
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+](C)C1CC1	REAL300012577212	0	41	0.0	-63.61	327.88	7.43	-56.18
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+](C)C1CC1	REAL300012577212	1	41	0.0	-60.35	329.04	7.35	-53.00
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+](C)C1CC1	REAL300012577213	0	41	0.0	-63.61	327.88	7.43	-56.18
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+](C)C1CC1	REAL300012577213	1	41	0.0	-60.35	329.04	7.35	-53.00
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])[N@H+](C)C1CC1	REAL300012577214	0	54	0.0	-56.28	405.89	5.44	-50.84
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])[N@@H+](C)C1CC1	REAL300012577214	1	54	0.0	-49.26	395.28	5.83	-43.43
CC(CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])[N@H+](C)C1CC1	REAL300012577215	1	58	0.0	-53.87	422.95	5.26	-48.61
CC(CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])[N@@H+](C)C1CC1	REAL300012577215	1	58	0.0	-49.05	420.48	5.70	-43.35
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)[N@H+](C)C1CC1	REAL300012577216	0	49	0.0	-71.27	370.73	9.83	-61.44
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)[N@@H+](C)C1CC1	REAL300012577216	1	49	0.0	-69.71	368.61	9.87	-59.84
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])[N@H+](C)C1CC1	REAL300012577217	0	52	0.0	-50.78	380.97	10.53	-40.25
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577217	1	52	0.0	-54.01	371.89	10.43	-43.58
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])[N@H+](C)C1CC1	REAL300012577218	0	50	0.0	-71.52	375.56	8.34	-63.18
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577218	1	50	0.0	-67.20	371.84	8.39	-58.81
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+](C)C1CC1	REAL300012577219	0	45	0.0	-69.57	356.49	7.18	-62.39
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)C1CC1	REAL300012577219	1	45	0.0	-63.35	352.51	7.32	-56.03
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)[N@H+](C)C1CC1	REAL300012577220	0	48	0.0	-65.68	389.59	8.22	-57.46
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)[N@@H+](C)C1CC1	REAL300012577220	1	48	0.0	-64.48	389.76	8.22	-56.26
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577221	0	50	0.0	-69.66	391.37	7.20	-62.46
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577221	1	50	0.0	-65.46	391.40	7.20	-58.26
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577222	0	44	0.0	-70.55	360.04	5.19	-65.36
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577222	1	44	0.0	-66.48	360.06	5.19	-61.29
CC(CNC(=O)NC(CC1=CC=CC=C1Br)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577223	0	48	0.0	-72.60	393.37	8.40	-64.20
CC(CNC(=O)NC(CC1=CC=CC=C1Br)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577223	1	48	0.0	-72.88	391.35	8.47	-64.41
CC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577224	0	45	0.0	-64.05	383.95	6.94	-57.11
CC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577224	1	45	0.0	-62.59	376.07	7.45	-55.14
CC(CNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1)[N@H+](C)C1CC1	REAL300012577225	0	42	0.0	-66.34	364.17	7.01	-59.33
CC(CNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1)[N@@H+](C)C1CC1	REAL300012577225	1	42	0.0	-65.52	363.95	6.88	-58.64
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[N@H+](C)C1CC1	REAL300012577226	0	45	0.0	-84.59	346.86	4.97	-79.62
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577226	1	45	0.0	-84.36	349.81	4.62	-79.74
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@H+](C)C1CC1	REAL300012577227	0	46	0.0	-68.79	347.21	6.31	-62.48
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577227	1	46	0.0	-67.86	343.45	6.36	-61.50
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@H+](C)C1CC1	REAL300012577228	0	45	0.0	-69.27	356.44	7.18	-62.09
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)C1CC1	REAL300012577228	1	45	0.0	-68.02	351.03	7.21	-60.81
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577229	0	48	0.0	-69.55	366.20	6.58	-62.97
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577229	1	48	0.0	-67.93	364.92	6.70	-61.23
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@H+](C)C1CC1	REAL300012577230	0	54	0.0	-68.68	399.92	6.29	-62.39
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[N@@H+](C)C1CC1	REAL300012577230	1	54	0.0	-66.21	393.23	6.79	-59.42
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@H+](C)C1CC1	REAL300012577231	0	51	0.0	-71.58	360.86	7.58	-64.00
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@@H+](C)C1CC1	REAL300012577231	1	51	0.0	-73.66	357.14	8.09	-65.57
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577232	0	51	0.0	-66.59	382.33	10.05	-56.54
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577232	1	51	0.0	-63.17	382.66	10.08	-53.09
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)[N@H+](C)C1CC1	REAL300012577233	0	55	0.0	-72.00	404.59	9.46	-62.54
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)[N@@H+](C)C1CC1	REAL300012577233	1	55	0.0	-67.95	400.24	9.51	-58.44
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@H+](C)C1CC1	REAL300012577234	0	54	0.0	-69.71	402.22	6.70	-63.01
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[N@@H+](C)C1CC1	REAL300012577234	1	54	0.0	-70.51	395.60	6.90	-63.61
CC(CNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1)[N@H+](C)C1CC1	REAL300012577235	0	59	0.0	-77.54	456.01	9.43	-68.11
CC(CNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1)[N@@H+](C)C1CC1	REAL300012577235	1	59	0.0	-72.86	452.64	9.41	-63.45
CC(CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[N@H+](C)C1CC1	REAL300012577236	0	53	0.0	-58.33	398.80	10.78	-47.55
CC(CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577236	1	53	0.0	-54.43	394.87	10.83	-43.60
CC(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)[N@H+](C)C1CC1	REAL300012577237	0	49	0.0	-77.06	383.02	7.26	-69.80
CC(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)[N@@H+](C)C1CC1	REAL300012577237	1	49	0.0	-72.35	383.20	7.33	-65.02
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[N@H+](C)C1CC1	REAL300012577238	0	51	0.0	-69.05	387.74	8.44	-60.61
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[N@@H+](C)C1CC1	REAL300012577238	1	51	0.0	-63.29	388.86	8.40	-54.89
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577239	0	52	0.0	-68.04	383.54	8.94	-59.10
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577239	1	52	0.0	-63.21	383.33	8.99	-54.22
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[N@H+](C)C1CC1	REAL300012577240	0	58	0.0	-71.49	411.22	8.26	-63.23
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[N@@H+](C)C1CC1	REAL300012577240	1	58	0.0	-72.94	405.36	8.40	-64.54
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@H+](C)C1CC1	REAL300012577241	0	51	0.0	-69.80	369.07	7.32	-62.48
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@@H+](C)C1CC1	REAL300012577241	1	51	0.0	-65.58	369.08	7.32	-58.26
CC(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577242	0	52	0.0	-67.72	392.06	6.68	-61.04
CC(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577242	1	52	0.0	-71.98	388.87	6.30	-65.68
CC(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[N@H+](C)C1CC1	REAL300012577243	0	52	0.0	-46.36	366.58	8.88	-37.48
CC(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[N@@H+](C)C1CC1	REAL300012577243	1	52	0.0	-37.28	362.14	8.78	-28.50
CC(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)[N@H+](C)C1CC1	REAL300012577244	0	52	0.0	-72.12	366.15	6.22	-65.90
CC(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)[N@@H+](C)C1CC1	REAL300012577244	1	52	0.0	-66.63	366.77	6.03	-60.60
CC(CNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577245	0	51	0.0	-69.50	411.71	9.46	-60.04
CC(CNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577245	1	51	0.0	-65.95	411.97	9.40	-56.55
CC1=CC=CC2=C1CCN(C(=O)NCC(C)[N@H+](C)C1CC1)C2C(=O)[O-]	REAL300012577246	0	52	0.0	-73.68	389.03	10.21	-63.47
CC1=CC=CC2=C1CCN(C(=O)NCC(C)[N@@H+](C)C1CC1)C2C(=O)[O-]	REAL300012577246	1	52	0.0	-82.28	380.50	10.69	-71.59
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577247	0	52	0.0	-68.04	383.54	8.94	-59.10
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577247	1	52	0.0	-63.21	383.33	8.99	-54.22
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577248	0	48	0.0	-71.24	379.93	8.26	-62.98
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577248	1	48	0.0	-67.59	380.19	8.21	-59.38
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[N@H+](C)C1CC1	REAL300012577249	0	42	0.0	-69.19	321.02	6.32	-62.87
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[N@@H+](C)C1CC1	REAL300012577249	1	42	0.0	-67.63	326.28	5.78	-61.85
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[N@H+](C)C1CC1	REAL300012577250	0	45	0.0	-71.65	358.00	7.25	-64.40
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[N@@H+](C)C1CC1	REAL300012577250	1	45	0.0	-73.84	351.41	7.49	-66.35
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577251	0	41	0.0	-63.02	330.43	5.84	-57.18
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CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577304	1	49	0.0	-78.75	348.48	8.66	-70.09
COCCCC(NC(=O)NCC(C)[N@H+](C)C1CC1)C(=O)[O-]	REAL300012577305	0	48	0.0	-68.77	370.50	4.96	-63.81
COCCCC(NC(=O)NCC(C)[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012577305	1	48	0.0	-67.49	370.67	4.95	-62.54
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[N@H+](C)C1CC1	REAL300012577306	0	49	0.0	-71.77	366.71	5.72	-66.05
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[N@@H+](C)C1CC1	REAL300012577306	1	49	0.0	-67.96	362.51	6.18	-61.78
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)[N@H+](C)C1CC1	REAL300012577307	0	45	0.0	-67.42	377.14	7.83	-59.59
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)[N@@H+](C)C1CC1	REAL300012577307	1	45	0.0	-67.13	372.33	7.83	-59.30
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@H+](C)C1CC1	REAL300012577308	0	49	0.0	-69.68	371.97	8.75	-60.93
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@@H+](C)C1CC1	REAL300012577308	1	49	0.0	-66.95	370.65	8.49	-58.46
CC(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[N@H+](C)C1CC1	REAL300012577309	0	48	0.0	-70.52	362.05	8.05	-62.47
CC(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577309	1	48	0.0	-66.70	358.12	8.06	-58.64
CC(CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[N@H+](C)C1CC1	REAL300012577310	0	59	0.0	-68.27	410.35	9.59	-58.68
CC(CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)[N@@H+](C)C1CC1	REAL300012577310	1	59	0.0	-70.62	404.15	9.73	-60.89
CC(CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577311	0	51	0.0	-72.78	403.66	8.38	-64.40
CC(CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577311	1	51	0.0	-73.43	399.70	8.94	-64.49
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[N@H+](C)C1CC1	REAL300012577312	0	45	0.0	-56.15	358.23	8.10	-48.05
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[N@@H+](C)C1CC1	REAL300012577312	1	45	0.0	-57.11	340.94	8.19	-48.92
CC(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[N@H+](C)C1CC1	REAL300012577313	0	56	0.0	-75.32	389.89	8.98	-66.34
CC(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577313	1	56	0.0	-74.71	388.92	8.40	-66.31
CC(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])[N@H+](C)C1CC1	REAL300012577314	0	47	0.0	-72.06	384.75	6.80	-65.26
CC(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])[N@@H+](C)C1CC1	REAL300012577314	1	47	0.0	-60.55	385.33	6.82	-53.73
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@H+](C)C2CC2)C1	REAL300012577315	0	49	0.0	-71.15	371.76	7.36	-63.79
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@@H+](C)C2CC2)C1	REAL300012577315	1	49	0.0	-73.37	365.37	7.49	-65.88
C[N@H+](CCOC1=CC=CC(CNC(=O)NCC(=O)[O-])=C1)C1CCOCC1	REAL300012577565	0	53	0.0	-70.33	409.74	5.34	-64.99
C[N@@H+](CCOC1=CC=CC(CNC(=O)NCC(=O)[O-])=C1)C1CCOCC1	REAL300012577565	1	53	0.0	-68.77	407.86	5.55	-63.22
CCC(NC(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1)C(=O)[O-]	REAL300012577566	0	59	0.0	-81.79	450.48	7.39	-74.40
CCC(NC(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1)C(=O)[O-]	REAL300012577566	1	59	0.0	-82.90	452.36	7.18	-75.72
CN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1	REAL300012577567	0	56	0.0	-77.46	426.60	8.23	-69.23
CN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1	REAL300012577567	1	56	0.0	-79.83	428.48	8.02	-71.81
CC(NC(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1)C(=O)[O-]	REAL300012577568	0	56	0.0	-69.30	428.96	6.34	-62.96
CC(NC(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1)C(=O)[O-]	REAL300012577568	1	56	0.0	-71.01	430.85	6.12	-64.89
CN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1	REAL300012577569	0	56	0.0	-77.46	426.60	8.23	-69.23
CN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1	REAL300012577569	1	56	0.0	-79.83	428.48	8.02	-71.81
C[N@H+](CCOC1=CC=CC(CNC(=O)NC(C)(C)C(=O)[O-])=C1)C1CCOCC1	REAL300012577570	0	59	0.0	-69.25	443.11	6.56	-62.69
C[N@@H+](CCOC1=CC=CC(CNC(=O)NC(C)(C)C(=O)[O-])=C1)C1CCOCC1	REAL300012577570	1	59	0.0	-67.82	441.23	6.77	-61.05
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1	REAL300012577571	0	59	0.0	-77.56	448.41	9.21	-68.35
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1	REAL300012577571	1	59	0.0	-79.96	450.30	9.01	-70.95
C[C@H](NC(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1)C(=O)[O-]	REAL300012577572	0	56	0.0	-70.12	428.45	6.40	-63.72
C[C@H](NC(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1)C(=O)[O-]	REAL300012577572	1	56	0.0	-71.49	430.53	6.16	-65.33
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1	REAL300012577573	0	59	0.0	-77.56	448.41	9.21	-68.35
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1	REAL300012577573	1	59	0.0	-79.96	450.30	9.01	-70.95
C[C@@H](NC(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1)C(=O)[O-]	REAL300012577574	0	56	0.0	-68.89	428.62	6.37	-62.52
C[C@@H](NC(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1)C(=O)[O-]	REAL300012577574	1	56	0.0	-70.60	430.54	6.16	-64.44
C[N@H+](CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC2)=C1)C1CCOCC1	REAL300012577575	0	57	0.0	-87.45	436.68	7.38	-80.07
C[N@@H+](CCOC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC2)=C1)C1CCOCC1	REAL300012577575	1	57	0.0	-87.56	434.77	7.60	-79.96
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1	REAL300012577576	0	59	0.0	-74.00	440.42	8.31	-65.69
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1	REAL300012577576	1	59	0.0	-75.51	443.39	8.25	-67.26
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1	REAL300012577577	0	59	0.0	-73.45	441.50	8.47	-64.98
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1	REAL300012577577	1	59	0.0	-75.49	443.39	8.25	-67.24
C[N@H+](CCOC1=CC=CC(CNC(=O)NC(CF)C(=O)[O-])=C1)C1CCOCC1	REAL300012577578	0	56	0.0	-69.58	434.15	6.17	-63.41
C[N@@H+](CCOC1=CC=CC(CNC(=O)NC(CF)C(=O)[O-])=C1)C1CCOCC1	REAL300012577578	1	56	0.0	-68.08	432.26	6.39	-61.69
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1	REAL300012577579	0	59	0.0	-73.45	441.50	8.47	-64.98
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1	REAL300012577579	1	59	0.0	-75.49	443.39	8.25	-67.24
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1	REAL300012577580	0	59	0.0	-76.46	441.78	8.53	-67.93
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1	REAL300012577580	1	59	0.0	-77.94	442.32	8.19	-69.75
CC[C@H](NC(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1)C(=O)[O-]	REAL300012577581	0	59	0.0	-81.51	450.21	7.46	-74.05
CC[C@H](NC(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1)C(=O)[O-]	REAL300012577581	1	59	0.0	-82.91	452.37	7.19	-75.72
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1	REAL300012577582	0	59	0.0	-76.46	441.78	8.53	-67.93
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1	REAL300012577582	1	59	0.0	-77.94	442.32	8.19	-69.75
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1	REAL300012577583	0	59	0.0	-74.00	440.42	8.31	-65.69
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1	REAL300012577583	1	59	0.0	-75.51	443.39	8.25	-67.26
COCC[NH+]1CCC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012577584	0	54	0.0	-75.79	406.76	6.30	-69.49
C=CCOCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577585	0	53	0.0	-78.59	414.73	4.73	-73.86
C=CC(C)C(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577586	0	52	0.0	-75.65	392.62	5.77	-69.88
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012577587	0	56	0.0	-79.28	413.19	4.73	-74.55
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012577588	0	52	0.0	-70.42	416.36	7.16	-63.26
COCC[NH+]1CCC(CNC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300012577589	0	56	0.0	-87.91	408.13	7.04	-80.87
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012577590	0	56	0.0	-74.68	412.00	4.84	-69.84
COCC[NH+]1CCC(CNC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012577591	0	55	0.0	-87.35	391.63	8.27	-79.08
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300012577592	0	55	0.0	-73.36	430.40	7.74	-65.62
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012577593	0	57	0.0	-77.46	439.93	6.95	-70.51
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012577594	0	58	0.0	-78.71	447.12	8.35	-70.36
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300012577595	0	58	0.0	-77.66	442.07	8.25	-69.41
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300012577596	0	58	0.0	-76.80	433.69	8.09	-68.71
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300012577597	0	56	0.0	-73.97	439.37	6.42	-67.55
CCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CCOC)CC1	REAL300012577598	0	51	0.0	-59.88	387.54	7.52	-52.36
COCC[NH+]1CCC(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012577599	0	55	0.0	-54.87	393.66	8.61	-46.26
CCCN(C(=O)NCC1CC[NH+](CCOC)CC1)C(COC)C(=O)[O-]	REAL300012577600	0	58	0.0	-74.91	425.83	7.17	-67.74
CCCN(C(=O)NCC1CC[NH+](CCOC)CC1)C(CC)C(=O)[O-]	REAL300012577601	0	57	0.0	-73.34	413.81	8.38	-64.96
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012577602	0	51	0.0	-75.98	380.80	5.27	-70.71
COCC[NH+]1CCC(CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012577603	0	52	0.0	-88.16	378.21	8.12	-80.04
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012577604	0	52	0.0	-73.48	420.97	7.53	-65.95
COCC[NH+]1CCC(CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012577605	0	50	0.0	-84.12	377.68	7.86	-76.26
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012577606	0	55	0.0	-81.12	397.63	7.15	-73.97
COCC[NH+]1CCC(CNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012577607	0	49	0.0	-82.67	366.86	6.86	-75.81
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012577608	0	52	0.0	-80.48	382.53	6.02	-74.46
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012577609	0	58	0.0	-82.06	403.27	7.82	-74.24
COCC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012577610	0	55	0.0	-78.63	426.54	7.97	-70.66
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012577611	0	55	0.0	-60.06	425.04	9.77	-50.29
COCC[NH+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012577612	0	52	0.0	-77.49	404.05	7.10	-70.39
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012577613	0	52	0.0	-76.71	403.64	7.04	-69.67
CCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577614	0	48	0.0	-75.95	367.87	5.01	-70.94
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012577615	0	51	0.0	-75.98	380.80	5.27	-70.71
COCC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012577616	0	55	0.0	-78.63	426.54	7.97	-70.66
CCC(C)C(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577617	0	54	0.0	-76.28	401.22	6.18	-70.10
COCC[NH+]1CCC(CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012577618	0	52	0.0	-88.16	378.21	8.12	-80.04
CCCC(C)(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577619	0	54	0.0	-76.25	393.74	6.08	-70.17
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012577620	0	51	0.0	-60.80	376.15	7.06	-53.74
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012577621	0	49	0.0	-63.06	369.09	7.30	-55.76
C=CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CCOC)CC1	REAL300012577622	0	49	0.0	-59.70	378.85	7.33	-52.37
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012577623	0	54	0.0	-59.16	401.96	7.83	-51.33
COCC[NH+]1CCC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012577624	0	56	0.0	-88.38	416.13	10.09	-78.29
COCC[NH+]1CCC(CNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012577625	0	48	0.0	-63.43	358.86	4.32	-59.11
COCC[NH+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012577626	0	52	0.0	-77.80	381.75	6.07	-71.73
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012577627	0	49	0.0	-75.50	395.66	6.18	-69.32
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012577628	0	55	0.0	-81.12	397.63	7.15	-73.97
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012577629	0	55	0.0	-57.58	441.76	10.29	-47.29
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012577630	0	51	0.0	-60.80	376.15	7.06	-53.74
CCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CCOC)CC1	REAL300012577631	0	51	0.0	-59.88	387.54	7.52	-52.36
CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CCOC)CC1	REAL300012577632	0	48	0.0	-76.19	366.04	6.76	-69.43
CC[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577633	0	54	0.0	-77.41	399.35	5.91	-71.50
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012577634	0	52	0.0	-80.48	382.53	6.02	-74.46
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012577635	0	55	0.0	-57.71	431.44	9.84	-47.87
CCC(C)(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577636	0	51	0.0	-75.95	372.25	5.32	-70.63
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012577637	0	56	0.0	-80.05	422.23	8.20	-71.85
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012577638	0	52	0.0	-76.90	414.85	7.25	-69.65
COCC[NH+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012577639	0	55	0.0	-77.95	412.61	7.74	-70.21
CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CCOC)CC1	REAL300012577640	0	48	0.0	-76.19	366.04	6.76	-69.43
CCCCCCC(C)(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577641	0	63	0.0	-76.43	458.24	8.41	-68.02
COCC[NH+]1CCC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012577642	0	58	0.0	-75.38	435.12	9.89	-65.49
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012577643	0	52	0.0	-73.48	420.97	7.53	-65.95
COCC[NH+]1CCC(CNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012577644	0	50	0.0	-83.60	369.10	5.44	-78.16
COCC[NH+]1CCC(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012577645	0	58	0.0	-81.76	406.86	8.49	-73.27
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012577646	0	49	0.0	-74.96	375.04	5.43	-69.53
COCC[NH+]1CCC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012577647	0	58	0.0	-60.96	447.45	10.55	-50.41
COCC[NH+]1CCC(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012577648	0	55	0.0	-82.67	414.87	8.57	-74.10
COCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CCOC)CC1	REAL300012577649	0	52	0.0	-60.33	397.42	5.95	-54.38
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012577650	0	56	0.0	-82.96	419.29	8.13	-74.83
COCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012577651	0	49	0.0	-83.20	367.66	6.53	-76.67
COCC[NH+]1CCC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012577652	0	52	0.0	-86.87	377.59	7.93	-78.94
COCC[NH+]1CCC(CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012577653	0	48	0.0	-72.05	358.07	5.96	-66.09
COCC[NH+]1CCC(CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012577654	0	49	0.0	-83.42	366.69	6.79	-76.63
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012577655	0	49	0.0	-82.02	369.24	5.65	-76.37
C=CCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577656	0	49	0.0	-75.65	381.15	5.46	-70.19
COCC[NH+]1CCC(CNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012577657	0	52	0.0	-82.43	383.94	7.42	-75.01
COCC[NH+]1CCC(CNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012577658	0	55	0.0	-80.16	391.25	8.29	-71.87
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012577659	0	49	0.0	-74.96	375.04	5.43	-69.53
COCC[NH+]1CCC(CNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012577660	0	48	0.0	-71.52	359.14	6.02	-65.50
CCCCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577661	0	54	0.0	-75.87	410.87	6.55	-69.32
COCC[NH+]1CCC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012577662	0	58	0.0	-60.96	447.45	10.55	-50.41
COCC[NH+]1CCC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012577663	0	52	0.0	-82.46	384.00	7.40	-75.06
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012577664	0	55	0.0	-59.21	396.15	8.08	-51.13
COCC[NH+]1CCC(CNC(=O)NC(COC)C(=O)[O-])CC1	REAL300012577665	0	49	0.0	-77.67	379.97	3.18	-74.49
CCCCCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577666	0	57	0.0	-76.25	432.61	7.28	-68.97
CCC1CCC(NC(=O)NCC2CC[NH+](CCOC)CC2)(C(=O)[O-])CC1	REAL300012577667	0	61	0.0	-77.22	430.35	7.69	-69.53
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012577668	0	56	0.0	-61.24	410.81	6.67	-54.57
COCC[NH+]1CCC(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012577669	0	55	0.0	-82.78	393.64	7.77	-75.01
COCC[NH+]1CCC(CNC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012577670	0	52	0.0	-64.09	384.44	7.38	-56.71
CCC(C(=O)[O-])N(C(=O)NCC1CC[NH+](CCOC)CC1)C1CC1	REAL300012577671	0	55	0.0	-60.33	405.13	8.44	-51.89
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012577672	0	52	0.0	-78.63	415.03	7.49	-71.14
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012577673	0	52	0.0	-82.56	408.43	7.17	-75.39
COCC[NH+]1CCC(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012577674	0	56	0.0	-63.83	419.19	9.43	-54.40
COCC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012577675	0	55	0.0	-80.06	440.41	8.22	-71.84
COCC[NH+]1CCC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012577676	0	61	0.0	-75.92	448.19	8.22	-67.70
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012577677	0	58	0.0	-60.67	438.95	10.22	-50.45
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300012577678	0	55	0.0	-76.82	425.05	7.72	-69.10
COCC[NH+]1CCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012577679	0	48	0.0	-70.58	384.05	5.64	-64.94
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012577680	0	58	0.0	-79.17	450.02	9.36	-69.81
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012577681	0	53	0.0	-76.88	395.35	6.85	-70.03
COCC[NH+]1CCC(CNC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300012577682	0	52	0.0	-81.16	390.50	4.61	-76.55
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CCOC)CC1	REAL300012577683	0	55	0.0	-73.10	410.49	6.26	-66.84
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012577684	0	54	0.0	-59.16	401.96	7.83	-51.33
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CC[NH+](CCOC)CC1	REAL300012577685	0	61	0.0	-56.57	453.15	11.16	-45.41
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012577686	0	49	0.0	-63.06	369.09	7.30	-55.76
COCC[NH+]1CCC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012577687	0	51	0.0	-59.39	405.67	7.90	-51.49
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012577688	0	50	0.0	-76.33	373.64	3.46	-72.87
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012577689	0	58	0.0	-78.78	421.84	7.15	-71.63
COCC[NH+]1CCC(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012577690	0	59	0.0	-74.13	437.44	7.75	-66.38
COCC[NH+]1CCC(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012577691	0	59	0.0	-87.95	442.25	11.12	-76.83
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012577692	0	53	0.0	-79.10	389.05	4.66	-74.44
C=CCCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577693	0	52	0.0	-76.12	402.42	6.28	-69.84
COCC[NH+]1CCC(CNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012577694	0	45	0.0	-63.85	350.21	3.92	-59.93
COCC[NH+]1CCC(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012577695	0	58	0.0	-54.18	431.10	10.67	-43.51
COCC[NH+]1CCC(CNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012577696	0	48	0.0	-71.52	359.14	6.02	-65.50
CCC(CC)(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577697	0	54	0.0	-77.22	388.92	6.21	-71.01
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)CC1	REAL300012577698	0	56	0.0	-76.97	433.73	6.31	-70.66
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[NH+](CCOC)CC1	REAL300012577699	0	54	0.0	-59.07	396.76	8.10	-50.97
CCC(COC)(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577700	0	55	0.0	-82.69	406.93	5.52	-77.17
COCC[NH+]1CCC(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012577701	0	58	0.0	-73.21	430.77	7.02	-66.19
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012577702	0	55	0.0	-81.67	414.20	3.15	-78.52
COCC[NH+]1CCC(CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012577703	0	52	0.0	-76.54	400.24	6.37	-70.17
COCCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577704	0	52	0.0	-75.98	401.54	4.07	-71.91
COCC[NH+]1CCC(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012577705	0	57	0.0	-73.73	418.90	8.51	-65.22
COCC[NH+]1CCC(CNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012577706	0	48	0.0	-70.90	378.49	5.53	-65.37
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CCOC)CC1	REAL300012577707	0	58	0.0	-86.54	418.31	9.23	-77.31
CCCN(C(=O)NCC1CC[NH+](CCOC)CC1)C(C)C(=O)[O-]	REAL300012577708	0	54	0.0	-77.49	400.59	8.20	-69.29
COCC[NH+]1CCC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012577709	0	58	0.0	-54.18	436.76	10.61	-43.57
CCC(NC(=O)NCC1CC[NH+](CCOC)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012577710	0	58	0.0	-79.89	429.04	8.69	-71.20
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300012577711	0	62	0.0	-81.83	453.63	6.23	-75.60
COCC[NH+]1CCC(CNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012577712	0	48	0.0	-74.49	374.46	5.15	-69.34
COCC[NH+]1CCC(CNC(=O)NC(CC2(OC)CCC2)C(=O)[O-])CC1	REAL300012577713	0	59	0.0	-77.13	437.97	6.35	-70.78
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012577714	0	56	0.0	-61.24	410.81	6.67	-54.57
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012577715	0	58	0.0	-61.19	419.75	9.04	-52.15
COCC[NH+]1CCC(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012577716	0	58	0.0	-81.37	411.45	7.54	-73.83
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012577717	0	56	0.0	-80.04	433.58	6.39	-73.65
COCC[NH+]1CCC(CNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012577718	0	51	0.0	-72.75	378.84	5.46	-67.29
COCC[NH+]1CCC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012577719	0	53	0.0	-64.16	401.03	7.49	-56.67
COCC[NH+]1CCC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012577720	0	49	0.0	-77.42	381.99	6.61	-70.81
COCC[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012577721	0	56	0.0	-79.71	433.80	6.30	-73.41
COCC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012577722	0	48	0.0	-70.72	359.14	6.02	-64.70
COCC[NH+]1CCC(CNC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])CC1	REAL300012577723	0	58	0.0	-85.84	432.96	8.75	-77.09
COCC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])CC1	REAL300012577724	0	59	0.0	-81.74	455.75	7.32	-74.42
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012577725	0	61	0.0	-81.76	425.52	8.09	-73.67
COCC[NH+]1CCC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012577726	0	50	0.0	-89.20	374.10	7.49	-81.71
COCC[NH+]1CCC(CNC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300012577727	0	56	0.0	-83.70	417.27	6.39	-77.31
COCC[NH+]1CCC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012577728	0	59	0.0	-76.39	439.51	5.77	-70.62
COCC[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012577729	0	54	0.0	-76.86	398.90	6.06	-70.80
C=C(Cl)CC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577730	0	49	0.0	-72.36	396.58	6.07	-66.29
C=C(C)CC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577731	0	52	0.0	-77.00	398.86	6.42	-70.58
COCC[NH+]1CCC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012577732	0	53	0.0	-91.89	388.95	8.30	-83.59
COCC[NH+]1CCC(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012577733	0	58	0.0	-76.95	436.08	8.22	-68.73
COCC[NH+]1CCC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012577734	0	49	0.0	-76.16	380.67	6.71	-69.45
COCC[NH+]1CCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012577735	0	49	0.0	-79.85	373.31	6.97	-72.88
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](CCOC)CC2)C1	REAL300012577736	0	50	0.0	-82.97	381.06	6.93	-76.04
COCC[NH+]1CCC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012577737	0	59	0.0	-76.19	435.12	6.48	-69.71
COCC[NH+]1CCC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012577738	0	54	0.0	-75.79	406.76	6.30	-69.49
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012577739	0	56	0.0	-79.28	413.19	4.73	-74.55
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012577740	0	52	0.0	-76.71	403.64	7.04	-69.67
COCC[NH+]1CCC(CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012577741	0	52	0.0	-76.54	400.24	6.37	-70.17
COCC[NH+]1CCC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012577742	0	51	0.0	-73.78	412.24	5.14	-68.64
COCC[NH+]1CCC(CNC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012577743	0	60	0.0	-75.97	449.93	7.85	-68.12
COCC[NH+]1CCC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012577744	0	56	0.0	-80.76	424.06	5.39	-75.37
COCC[NH+]1CCC(CNC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012577745	0	49	0.0	-73.55	391.57	5.36	-68.19
COCC[NH+]1CCC(CNC(=O)N[C@@H](COC)C(=O)[O-])CC1	REAL300012577746	0	49	0.0	-76.45	379.49	3.17	-73.28
CC[C@H](NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577747	0	48	0.0	-74.96	367.28	4.96	-70.00
COCC[NH+]1CCC(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012577748	0	55	0.0	-75.88	432.66	8.09	-67.79
CCC(C)CC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577749	0	57	0.0	-76.74	424.58	6.96	-69.78
C=CCCCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577750	0	55	0.0	-76.40	423.92	7.06	-69.34
COCC[NH+]1CCC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012577751	0	55	0.0	-75.30	432.89	8.03	-67.27
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012577752	0	58	0.0	-81.33	444.46	9.15	-72.18
COCC[NH+]1CCC(CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012577753	0	50	0.0	-84.12	377.68	7.86	-76.26
COCC[NH+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012577754	0	55	0.0	-77.95	412.61	7.74	-70.21
COCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012577755	0	49	0.0	-83.20	367.66	6.53	-76.67
CCCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577756	0	51	0.0	-75.95	389.37	5.77	-70.18
COCC[NH+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300012577757	0	51	0.0	-76.80	385.15	5.53	-71.27
COCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012577758	0	53	0.0	-90.18	389.07	8.39	-81.79
CCN(C(=O)NCC1CC[NH+](CCOC)CC1)C(C)(C)C(=O)[O-]	REAL300012577759	0	54	0.0	-80.59	392.42	7.63	-72.96
CCCN(C(=O)NCC1CC[NH+](CCOC)CC1)C(C)C(=O)[O-]	REAL300012577760	0	54	0.0	-77.49	400.59	8.20	-69.29
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012577761	0	48	0.0	-71.17	380.66	7.27	-63.90
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012577762	0	48	0.0	-71.17	380.66	7.27	-63.90
COCC[NH+]1CCC(CNC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012577763	0	51	0.0	-80.19	373.49	6.70	-73.49
COCC[NH+]1CCC(CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012577764	0	49	0.0	-83.42	366.69	6.79	-76.63
COCC[NH+]1CCC(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012577765	0	61	0.0	-60.57	454.39	5.24	-55.33
COCC[NH+]1CCC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012577766	0	50	0.0	-85.77	378.92	3.17	-82.60
COCC[NH+]1CCC(CNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012577767	1	65	0.0	-61.96	479.58	5.11	-56.85
COCC[NH+]1CCC(CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])CC1	REAL300012577768	0	56	0.0	-56.62	421.14	9.90	-46.72
COCC[NH+]1CCC(CNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012577769	0	59	0.0	-63.01	431.26	10.11	-52.90
CCC[C@@H](NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577770	0	51	0.0	-76.30	389.61	5.72	-70.58
COCC[NH+]1CCC(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012577771	0	57	0.0	-73.69	424.06	8.22	-65.47
COCC[NH+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012577772	0	52	0.0	-77.49	404.05	7.10	-70.39
COCC[NH+]1CCC(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012577773	0	57	0.0	-77.85	444.16	7.03	-70.82
C=CCCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577774	0	52	0.0	-76.12	402.42	6.28	-69.84
COCC[NH+]1CCC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012577775	0	51	0.0	-79.65	412.79	5.02	-74.63
COCC[NH+]1CCC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012577776	0	52	0.0	-93.43	397.38	4.38	-89.05
COCC[NH+]1CCC(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012577777	0	53	0.0	-76.84	394.08	5.93	-70.91
COCC[NH+]1CCC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012577778	0	52	0.0	-83.53	383.98	7.42	-76.11
COCC[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300012577779	0	51	0.0	-76.03	385.13	5.52	-70.51
COCC[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012577780	0	52	0.0	-76.72	403.65	7.04	-69.68
COCC[NH+]1CCC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012577781	0	55	0.0	-80.30	413.73	6.36	-73.94
COCC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012577782	0	48	0.0	-70.72	359.14	6.02	-64.70
CCC[C@H](NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577783	0	51	0.0	-74.87	388.78	5.72	-69.15
CCN(C(=O)NCC1CC[NH+](CCOC)CC1)C(C)C(=O)[O-]	REAL300012577784	0	51	0.0	-72.32	375.82	6.80	-65.52
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012577785	0	55	0.0	-59.21	396.15	8.08	-51.13
COCC[NH+]1CCC(CNC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300012577786	0	51	0.0	-75.89	379.34	6.45	-69.44
CC[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577787	0	54	0.0	-77.41	399.35	5.91	-71.50
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CCOC)CC1	REAL300012577788	0	51	0.0	-72.60	378.50	7.10	-65.50
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012577789	0	53	0.0	-82.09	401.50	2.94	-79.15
COCC[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012577790	0	61	0.0	-77.26	451.08	6.29	-70.97
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012577791	0	55	0.0	-81.32	404.18	6.67	-74.65
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012577792	0	58	0.0	-81.69	413.65	7.41	-74.28
COCCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577793	0	52	0.0	-75.98	401.54	4.07	-71.91
COCC[NH+]1CCC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012577794	0	58	0.0	-75.38	435.12	9.89	-65.49
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012577795	0	55	0.0	-82.75	405.70	7.36	-75.39
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012577796	0	52	0.0	-76.38	396.67	6.07	-70.31
COCC[NH+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012577797	0	61	0.0	-78.56	452.24	6.22	-72.34
COCC[NH+]1CCC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012577798	0	50	0.0	-90.46	378.86	3.32	-87.14
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012577799	0	53	0.0	-76.62	394.88	3.98	-72.64
COCC[NH+]1CCC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012577800	0	53	0.0	-87.39	389.03	8.00	-79.39
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012577801	0	56	0.0	-86.06	436.19	7.09	-78.97
COCC[NH+]1CCC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012577802	0	51	0.0	-84.68	381.28	5.67	-79.01
COCC[NH+]1CCC(CNC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012577803	0	55	0.0	-87.53	399.10	8.73	-78.80
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012577804	0	58	0.0	-76.63	443.27	8.37	-68.26
COCC[NH+]1CCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012577805	0	59	0.0	-75.54	439.96	8.10	-67.44
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012577806	0	52	0.0	-77.47	394.88	5.99	-71.48
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012577807	0	65	0.0	-80.04	461.52	7.79	-72.25
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012577808	0	58	0.0	-78.78	421.84	7.15	-71.63
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012577809	0	52	0.0	-77.47	394.88	5.99	-71.48
COCC[NH+]1CCC(CNC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012577810	0	52	0.0	-83.77	383.04	7.02	-76.75
C=CCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577811	0	49	0.0	-75.65	381.15	5.46	-70.19
COCC[NH+]1CCC(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012577812	0	59	0.0	-76.36	440.35	6.68	-69.68
COCC[NH+]1CCC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012577813	0	59	0.0	-56.49	414.45	8.68	-47.81
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012577814	0	59	0.0	-81.12	418.16	5.94	-75.18
COCC[NH+]1CCC(CNC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC1	REAL300012577815	0	59	0.0	-64.60	436.62	9.99	-54.61
COCC[NH+]1CCC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012577816	0	53	0.0	-58.86	389.67	7.88	-50.98
COCC[NH+]1CCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012577817	0	59	0.0	-75.54	439.96	8.10	-67.44
COCC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012577818	0	55	0.0	-80.28	432.95	8.03	-72.25
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300012577819	0	53	0.0	-84.25	402.70	4.63	-79.62
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012577820	0	49	0.0	-79.16	377.66	5.68	-73.48
COCC[NH+]1CCC(CNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)CC1	REAL300012577821	0	53	0.0	-77.73	400.69	4.54	-73.19
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012577822	0	52	0.0	-74.19	409.67	6.42	-67.77
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CCOC)CC1	REAL300012577823	0	55	0.0	-84.44	399.58	8.55	-75.89
COCC[NH+]1CCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012577824	0	48	0.0	-70.58	384.05	5.64	-64.94
COCC[NH+]1CCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012577825	0	56	0.0	-78.86	421.92	4.96	-73.90
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012577826	0	47	0.0	-74.89	360.21	2.68	-72.21
COCC[NH+]1CCC(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012577827	0	52	0.0	-77.03	418.42	7.00	-70.03
COCC[NH+]1CCC(CNC(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012577828	0	59	0.0	-78.08	445.26	7.02	-71.06
COCC[NH+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012577829	0	54	0.0	-77.59	387.17	5.94	-71.65
COCC[NH+]1CCC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012577830	0	50	0.0	-87.83	373.57	8.06	-79.77
COCC[NH+]1CCC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012577831	0	53	0.0	-84.78	390.30	7.60	-77.18
COCC[NH+]1CCC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012577832	0	58	0.0	-54.18	436.76	10.61	-43.57
COCC[NH+]1CCC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012577833	0	61	0.0	-75.92	448.19	8.22	-67.70
COCC[NH+]1CCC(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012577834	0	58	0.0	-76.61	449.52	8.73	-67.88
COCC[NH+]1CCC(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012577835	0	58	0.0	-77.36	449.52	8.74	-68.62
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012577836	0	59	0.0	-77.82	428.59	7.61	-70.21
COCC[NH+]1CCC(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012577837	0	61	0.0	-76.86	448.13	8.25	-68.61
COCC[NH+]1CCC(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012577838	0	61	0.0	-76.30	448.43	8.16	-68.14
COCC[NH+]1CCC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012577839	0	59	0.0	-58.25	428.75	8.84	-49.41
COCC[NH+]1CCC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012577840	0	59	0.0	-86.25	424.63	8.63	-77.62
COCC[NH+]1CCC(CNC(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])CC1	REAL300012577841	0	59	0.0	-79.27	455.81	7.32	-71.95
C=CCSCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577842	0	53	0.0	-73.97	426.09	6.75	-67.22
COCC[NH+]1CCC(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012577843	0	56	0.0	-75.97	447.06	8.41	-67.56
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[NH+](CCOC)CC1	REAL300012577844	0	54	0.0	-72.97	392.31	7.65	-65.32
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2(OC)CCC2)CC1	REAL300012577845	0	56	0.0	-72.31	415.21	4.60	-67.71
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012577846	0	58	0.0	-78.23	429.25	7.94	-70.29
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012577847	0	59	0.0	-81.91	435.59	9.08	-72.83
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012577848	0	52	0.0	-83.29	401.48	6.45	-76.84
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300012577850	0	61	0.0	-76.86	464.47	8.94	-67.92
COCC[NH+]1CCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012577851	0	49	0.0	-79.85	373.31	6.97	-72.88
COCC[NH+]1CCC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012577852	0	51	0.0	-58.21	382.24	7.74	-50.47
COCC[NH+]1CCC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012577853	0	55	0.0	-85.80	403.01	7.51	-78.29
CCOC1=CC=C(C(NC(=O)NCC2CC[NH+](CCOC)CC2)C(=O)[O-])C=C1	REAL300012577854	0	59	0.0	-76.77	455.59	7.24	-69.53
COCC[NH+]1CCC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012577855	0	59	0.0	-87.38	423.43	9.56	-77.82
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012577856	0	59	0.0	-77.50	444.70	8.91	-68.59
COCC[NH+]1CCC(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012577857	0	59	0.0	-83.15	446.70	8.06	-75.09
COCC[NH+]1CCC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012577858	0	55	0.0	-80.14	440.51	7.95	-72.19
COCC[NH+]1CCC(CNC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300012577859	0	57	0.0	-76.53	428.68	7.01	-69.52
COCC[NH+]1CCC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012577860	0	56	0.0	-58.89	414.67	8.30	-50.59
COCC[NH+]1CCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012577861	0	56	0.0	-78.86	421.92	4.96	-73.90
COCC[NH+]1CCC(CNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])CC1	REAL300012577862	0	53	0.0	-80.95	410.11	8.05	-72.90
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012577863	0	56	0.0	-80.79	406.19	7.54	-73.25
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012577864	0	53	0.0	-82.76	390.60	6.89	-75.87
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012577865	0	56	0.0	-80.27	411.89	7.27	-73.00
COCC[NH+]1CCC(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012577866	0	58	0.0	-75.40	435.14	9.89	-65.51
COCC[NH+]1CCC(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012577867	0	62	0.0	-58.27	442.81	9.32	-48.95
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012577868	0	55	0.0	-77.91	404.32	6.47	-71.44
COCC[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300012577869	0	52	0.0	-76.59	398.14	4.19	-72.40
COCC[NH+]1CCC(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012577870	0	52	0.0	-83.65	390.92	6.63	-77.02
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012577871	0	55	0.0	-60.06	425.04	9.77	-50.29
COCC[NH+]1CCC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012577872	0	55	0.0	-58.51	406.72	7.66	-50.85
COCC[NH+]1CCC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012577873	0	52	0.0	-84.25	389.15	7.98	-76.27
COCC[NH+]1CCC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012577874	0	49	0.0	-85.71	378.57	6.99	-78.72
COCC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012577875	0	55	0.0	-80.28	432.95	8.03	-72.25
COCC[NH+]1CCC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012577876	0	52	0.0	-76.34	417.35	6.87	-69.47
COCC[NH+]1CCC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012577877	0	52	0.0	-75.04	396.05	7.53	-67.51
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012577878	0	56	0.0	-81.94	431.32	7.69	-74.25
COCC[NH+]1CCC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012577879	0	52	0.0	-76.34	417.35	6.87	-69.47
COCC[NH+]1CCC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012577880	0	56	0.0	-86.50	405.74	8.03	-78.47
COCCCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577881	0	55	0.0	-75.73	423.28	4.79	-70.94
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CCOC)CC1	REAL300012577882	0	54	0.0	-72.23	401.08	7.86	-64.37
CCOCC(NC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300012577883	0	52	0.0	-77.83	401.69	4.21	-73.62
COCC[NH+]1CCC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012577884	0	57	0.0	-76.13	418.89	7.36	-68.77
COCC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012577885	0	56	0.0	-79.86	418.60	5.08	-74.78
COCC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012577886	0	56	0.0	-80.05	422.23	8.20	-71.85
COCC[NH+]1CCC(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012577887	0	53	0.0	-85.90	389.60	6.43	-79.47
COCC[NH+]1CCC(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012577888	0	55	0.0	-75.56	409.88	7.83	-67.73
COCC[NH+]1CCC(CNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012577889	0	49	0.0	-76.75	388.72	5.51	-71.24
COCC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012577890	0	52	0.0	-61.15	406.71	7.91	-53.24
COCC[NH+]1CCC(CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012577891	0	63	0.0	-86.29	440.06	8.46	-77.83
COCC[NH+]1CCC(CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012577892	0	54	0.0	-72.78	438.03	6.64	-66.14
COCC[NH+]1CCC(CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012577893	0	48	0.0	-72.05	358.07	5.96	-66.09
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](CCOC)CC2)C1	REAL300012577894	0	56	0.0	-79.99	421.00	6.84	-73.15
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578077	0	58	0.0	-84.06	446.50	6.59	-77.47
C=CCOCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578078	0	57	0.0	-85.50	454.28	5.12	-80.38
C=CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578079	0	56	0.0	-82.79	439.34	6.44	-76.35
CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C(C(=O)[O-])C1	REAL300012578080	0	59	0.0	-94.79	431.48	8.55	-86.24
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578081	0	55	0.0	-70.70	427.23	7.86	-62.84
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1CCC1	REAL300012578082	0	59	0.0	-71.14	439.82	8.25	-62.89
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(CC)C(=O)[O-]	REAL300012578083	0	61	0.0	-88.98	460.01	9.78	-79.20
CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578084	0	55	0.0	-83.01	419.24	5.69	-77.32
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578085	0	56	0.0	-97.22	417.90	8.47	-88.75
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578086	0	54	0.0	-93.01	417.47	8.21	-84.80
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCCCC1	REAL300012578087	0	59	0.0	-88.24	437.31	7.50	-80.74
O=C([O-])C1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578088	0	53	0.0	-90.84	406.54	7.20	-83.64
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCCC1	REAL300012578089	0	56	0.0	-88.29	422.80	6.39	-81.90
O=C([O-])CNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578090	0	46	0.0	-71.40	365.18	3.43	-67.97
O=C([O-])[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1=CC=CC=C1	REAL300012578091	0	56	0.0	-85.30	443.98	7.36	-77.94
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1=CC=CC=C1	REAL300012578092	0	56	0.0	-85.61	443.93	7.36	-78.25
CCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578093	0	52	0.0	-83.13	407.80	5.29	-77.84
CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578094	0	55	0.0	-83.01	419.24	5.69	-77.32
CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578095	0	49	0.0	-82.40	383.92	6.12	-76.28
CC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578096	0	49	0.0	-72.14	385.80	4.29	-67.85
CCC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578097	0	58	0.0	-84.86	442.78	6.50	-78.36
CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578098	0	49	0.0	-82.40	383.92	6.12	-76.28
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578099	0	56	0.0	-97.22	417.90	8.47	-88.75
CCCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578100	0	58	0.0	-84.67	433.44	6.41	-78.26
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578101	0	55	0.0	-71.38	415.86	7.38	-64.00
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1CC1	REAL300012578102	0	53	0.0	-71.92	409.00	7.63	-64.29
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578103	0	53	0.0	-70.51	418.54	7.66	-62.85
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578104	0	58	0.0	-70.12	441.64	8.17	-61.95
CC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578105	0	52	0.0	-70.24	398.54	4.66	-65.58
CC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)(C(=O)[O-])C1CC1	REAL300012578106	0	56	0.0	-86.98	421.45	6.40	-80.58
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCCCC1	REAL300012578107	0	59	0.0	-88.24	437.31	7.50	-80.74
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578108	0	55	0.0	-71.38	415.86	7.38	-64.00
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578109	0	55	0.0	-70.70	427.23	7.86	-62.84
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578110	0	52	0.0	-82.75	405.73	7.10	-75.65
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578111	0	58	0.0	-84.73	439.04	6.25	-78.48
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCCC1	REAL300012578112	0	56	0.0	-88.29	422.80	6.39	-81.90
CCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578113	0	55	0.0	-84.71	411.93	5.66	-79.05
C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578114	0	49	0.0	-72.14	385.80	4.29	-67.85
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578115	0	52	0.0	-82.75	405.73	7.10	-75.65
C[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578116	0	49	0.0	-72.13	385.97	4.26	-67.87
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CC1	REAL300012578117	0	50	0.0	-90.91	392.14	5.48	-85.43
O=C([O-])C1COCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578118	0	54	0.0	-93.01	409.07	5.80	-87.21
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1CC1	REAL300012578119	0	53	0.0	-83.19	414.72	5.77	-77.42
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578120	0	56	0.0	-71.22	437.11	6.29	-64.93
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578121	0	53	0.0	-91.17	407.06	6.84	-84.33
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578122	0	56	0.0	-94.46	417.44	8.22	-86.24
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578123	0	52	0.0	-77.76	398.32	6.25	-71.51
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578124	0	53	0.0	-90.43	406.62	7.20	-83.23
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCC1	REAL300012578125	0	53	0.0	-89.25	408.93	6.00	-83.25
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578126	0	53	0.0	-82.43	420.83	5.80	-76.63
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578127	0	56	0.0	-90.82	423.64	7.75	-83.07
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578128	0	59	0.0	-95.96	430.73	8.85	-87.11
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1CC1	REAL300012578129	0	53	0.0	-83.19	414.72	5.77	-77.42
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578130	0	52	0.0	-78.58	397.89	6.36	-72.22
CCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578131	0	58	0.0	-83.06	450.80	6.84	-76.22
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578132	0	56	0.0	-91.35	423.66	7.74	-83.61
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1CCCC1	REAL300012578133	0	59	0.0	-70.09	442.06	8.67	-61.42
COCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578134	0	53	0.0	-84.52	419.52	3.57	-80.95
CCCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578135	0	61	0.0	-83.05	472.29	7.62	-75.43
CN(C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1(C(=O)[O-])CCCC1	REAL300012578136	0	59	0.0	-91.43	433.25	8.11	-83.32
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1CC1	REAL300012578137	0	56	0.0	-71.45	424.19	7.68	-63.77
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1CC1	REAL300012578138	0	59	0.0	-69.28	444.83	8.79	-60.49
COCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578139	0	56	0.0	-88.82	430.18	4.95	-83.87
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578140	0	59	0.0	-79.45	450.18	6.60	-72.85
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578141	0	58	0.0	-70.12	441.64	8.17	-61.95
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1CC1	REAL300012578142	0	53	0.0	-71.92	409.00	7.63	-64.29
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCOC1	REAL300012578143	0	54	0.0	-84.09	413.44	3.79	-80.30
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCOCC1	REAL300012578144	0	57	0.0	-86.93	428.74	5.00	-81.93
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578145	0	56	0.0	-82.80	442.11	6.62	-76.18
O=C([O-])C(CF)NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578146	0	49	0.0	-70.75	389.90	4.26	-66.49
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578147	0	52	0.0	-78.58	397.89	6.36	-72.22
CCC(CC)(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578148	0	58	0.0	-85.58	428.32	6.55	-79.03
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578149	0	58	0.0	-69.13	439.04	8.54	-60.59
CCC(COC)(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578150	0	59	0.0	-89.80	446.62	5.86	-83.94
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578151	0	56	0.0	-83.63	439.69	6.78	-76.85
COCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578152	0	56	0.0	-82.57	441.23	4.41	-78.16
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578153	0	61	0.0	-78.48	456.63	8.67	-69.81
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578154	0	52	0.0	-78.40	418.42	5.82	-72.58
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(C)C(=O)[O-]	REAL300012578155	0	58	0.0	-84.91	440.20	8.58	-76.33
O=C([O-])C(CCF)NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578156	0	52	0.0	-81.22	414.39	5.43	-75.79
CC(CCF)(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578157	0	55	0.0	-80.94	418.53	5.80	-75.14
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578158	0	53	0.0	-83.92	421.39	6.89	-77.03
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578159	0	52	0.0	-78.56	398.82	6.36	-72.20
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578160	0	54	0.0	-96.40	413.86	7.83	-88.57
CC(C)(C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578161	0	58	0.0	-85.01	438.59	6.40	-78.61
C=C(Cl)CC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578162	0	53	0.0	-79.63	436.27	6.41	-73.22
C=C(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578163	0	56	0.0	-83.61	440.94	6.59	-77.02
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578164	0	57	0.0	-98.34	428.34	8.66	-89.68
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578165	0	53	0.0	-82.72	419.57	7.37	-75.35
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578166	0	53	0.0	-87.65	413.04	7.29	-80.36
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300012578167	0	54	0.0	-90.47	420.53	7.21	-83.26
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578168	0	58	0.0	-84.06	446.50	6.59	-77.47
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1=CC=CC=C1	REAL300012578169	0	56	0.0	-85.61	443.93	7.36	-78.25
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578170	0	56	0.0	-83.63	439.69	6.78	-76.85
CSCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578171	0	53	0.0	-80.86	431.26	5.70	-75.16
COC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578172	0	53	0.0	-85.11	419.66	3.52	-81.59
CC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578173	0	52	0.0	-83.02	406.97	5.30	-77.72
CCC(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578174	0	61	0.0	-83.95	464.86	7.23	-76.72
C=CCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578175	0	59	0.0	-83.06	463.61	7.40	-75.66
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578176	0	54	0.0	-93.01	417.47	8.21	-84.80
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578177	0	53	0.0	-91.17	407.06	6.84	-84.33
CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578178	0	55	0.0	-83.15	429.30	6.06	-77.09
CC(C)[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578179	0	55	0.0	-82.67	422.92	5.89	-76.78
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578180	0	57	0.0	-97.33	427.88	8.76	-88.57
CCN(C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012578181	0	58	0.0	-87.99	432.53	8.07	-79.92
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(C)C(=O)[O-]	REAL300012578182	0	58	0.0	-84.91	440.20	8.58	-76.33
CN(C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012578183	0	55	0.0	-87.84	412.94	7.20	-80.64
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578184	0	53	0.0	-90.43	406.62	7.20	-83.23
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578185	0	54	0.0	-92.16	418.58	3.50	-88.66
CCC[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578186	0	55	0.0	-83.17	429.30	6.06	-77.11
O=C([O-])[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1=CC=CC=C1	REAL300012578187	0	56	0.0	-85.30	443.98	7.36	-77.94
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578188	0	56	0.0	-82.80	442.11	6.62	-76.18
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578189	0	56	0.0	-91.83	423.67	7.75	-84.08
CC(C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578190	0	55	0.0	-83.02	418.92	5.59	-77.43
O=C([O-])[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1=CC=CC=C1	REAL300012578191	0	56	0.0	-85.60	443.93	7.36	-78.24
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578192	0	52	0.0	-78.56	398.82	6.36	-72.20
CCC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578193	0	55	0.0	-83.56	429.30	6.06	-77.50
CCN(C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(C)C(=O)[O-]	REAL300012578194	0	55	0.0	-78.44	415.50	7.14	-71.30
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1CCCC1	REAL300012578195	0	59	0.0	-70.09	442.06	8.67	-61.42
CC(CN(C)C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578196	0	55	0.0	-81.30	419.02	6.78	-74.52
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578197	0	58	0.0	-84.73	439.04	6.25	-78.48
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578198	0	55	0.0	-79.09	418.18	7.44	-71.65
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CC(CO)C1	REAL300012578199	0	57	0.0	-89.64	441.19	3.29	-86.35
CC1CCC(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)(C(=O)[O-])C1	REAL300012578200	0	59	0.0	-88.61	443.86	7.02	-81.59
COCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578201	0	56	0.0	-82.57	441.23	4.41	-78.16
CC1(C)CC(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)(C(=O)[O-])C1	REAL300012578202	0	59	0.0	-89.92	445.36	7.71	-82.21
CC1(C(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C(=O)[O-])CC1	REAL300012578203	0	56	0.0	-85.79	431.40	6.65	-79.14
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578204	0	54	0.0	-97.73	418.24	3.61	-94.12
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1CCOC1	REAL300012578205	0	57	0.0	-84.14	434.58	4.32	-79.82
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578206	0	57	0.0	-95.30	428.72	8.33	-86.97
O=C([O-])C12COC(CN1C(=O)NCC1=CC=C(C[NH+]3CCC(O)CC3)C=C1)C2	REAL300012578207	0	55	0.0	-92.45	421.19	6.03	-86.42
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300012578208	0	59	0.0	-96.78	438.74	9.06	-87.72
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1CCC1	REAL300012578209	0	56	0.0	-83.89	427.46	6.24	-77.65
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1CCC1	REAL300012578210	0	56	0.0	-83.89	427.46	6.24	-77.65
CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1C(=O)[O-]	REAL300012578211	0	56	0.0	-93.20	422.75	7.36	-85.84
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578212	0	53	0.0	-82.43	420.83	5.80	-76.63
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578213	0	57	0.0	-70.29	429.04	8.16	-62.13
COC1CC(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)(C(=O)[O-])C1	REAL300012578214	0	57	0.0	-91.11	442.39	4.97	-86.14
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CC(F)(F)C1	REAL300012578215	0	53	0.0	-88.22	417.37	6.02	-82.20
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)(C(=O)[O-])C1	REAL300012578216	0	57	0.0	-88.45	441.02	5.26	-83.19
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578217	0	59	0.0	-93.58	436.95	8.97	-84.61
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)COC1	REAL300012578218	0	51	0.0	-82.53	399.75	3.04	-79.49
CC(C)C(C)(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578219	0	58	0.0	-85.92	428.67	6.35	-79.57
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578220	0	54	0.0	-96.15	414.25	8.36	-87.79
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578221	0	57	0.0	-92.67	429.77	7.78	-84.89
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578222	0	58	0.0	-78.99	432.51	8.10	-70.89
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578223	0	53	0.0	-87.65	413.04	7.29	-80.36
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578224	0	55	0.0	-69.87	422.66	8.01	-61.86
CC1(C)CCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1C(=O)[O-]	REAL300012578225	0	59	0.0	-92.29	438.88	8.15	-84.14
CC(C)CCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578226	0	61	0.0	-83.25	468.36	7.35	-75.90
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCC2CC21	REAL300012578227	0	57	0.0	-90.33	430.29	7.23	-83.10
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1CCCC1	REAL300012578228	0	59	0.0	-84.29	443.96	6.87	-77.42
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578229	0	56	0.0	-84.63	437.31	4.52	-80.11
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578230	0	56	0.0	-91.40	430.52	6.97	-84.43
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300012578231	0	59	0.0	-69.02	446.38	7.99	-61.03
O=C([O-])C1N(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCC1(F)F	REAL300012578232	0	53	0.0	-92.96	418.23	7.33	-85.63
COCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578233	0	59	0.0	-82.79	462.97	5.13	-77.66
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578234	0	58	0.0	-78.49	440.77	8.20	-70.29
CCOCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578235	0	56	0.0	-85.04	441.38	4.55	-80.49
CC(C)(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578236	0	61	0.0	-84.22	458.65	7.68	-76.54
C[C@H]1OCCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)[C@@H]1C(=O)[O-]	REAL300012578237	0	57	0.0	-91.58	428.58	6.51	-85.07
N#CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300012578238	0	53	0.0	-82.99	428.65	5.79	-77.20
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300012578239	0	52	0.0	-77.76	398.32	6.25	-71.51
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC(C)(C)C)CC1	REAL300012578334	0	58	0.0	-58.18	424.29	7.40	-50.78
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCN2CCOCC2(C)C)CC1	REAL300012578958	0	62	0.0	-58.60	442.63	3.47	-55.13
CN1C=CN=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012579192	0	50	0.0	-70.16	390.84	5.75	-64.41
CC(C)C[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579273	0	57	0.0	-72.17	429.84	9.78	-62.39
CC(C)C[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579273	1	57	0.0	-75.35	413.97	10.18	-65.17
C=CCOCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579274	0	56	0.0	-75.16	433.84	8.59	-66.57
C=CCOCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579274	1	56	0.0	-71.32	433.29	8.59	-62.73
C=CC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579275	0	55	0.0	-69.56	420.02	9.55	-60.01
C=CC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579275	1	55	0.0	-70.21	418.70	9.95	-60.26
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579276	0	59	0.0	-73.62	431.12	8.66	-64.96
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579276	1	59	0.0	-70.79	419.20	8.74	-62.05
COC1CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C(C(=O)[O-])C1	REAL300012579277	0	59	0.0	-83.14	424.73	10.14	-73.00
COC1CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C(C(=O)[O-])C1	REAL300012579277	1	59	0.0	-85.13	429.28	10.69	-74.44
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579278	0	59	0.0	-70.07	435.09	8.34	-61.73
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579278	1	59	0.0	-73.78	420.34	8.69	-65.09
CC1CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C(C(=O)[O-])C1	REAL300012579279	0	58	0.0	-83.47	408.84	11.70	-71.77
CC1CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C(C(=O)[O-])C1	REAL300012579279	1	58	0.0	-83.78	410.74	12.11	-71.67
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579280	0	54	0.0	-59.31	410.62	11.02	-48.29
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579280	1	54	0.0	-59.57	410.57	11.02	-48.55
CC(C(=O)[O-])N(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C1CCC1	REAL300012579281	0	58	0.0	-61.98	423.29	11.41	-50.57
CC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C1CCC1	REAL300012579281	1	58	0.0	-63.38	407.17	11.80	-51.58
CCCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(COC)C(=O)[O-]	REAL300012579282	0	61	0.0	-73.89	452.44	11.95	-61.94
CCCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(COC)C(=O)[O-]	REAL300012579282	1	61	0.0	-78.65	449.45	12.28	-66.37
CCCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(CC)C(=O)[O-]	REAL300012579283	0	60	0.0	-70.34	437.68	12.04	-58.30
CCCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(CC)C(=O)[O-]	REAL300012579283	1	60	0.0	-71.86	432.87	12.24	-59.62
CC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579284	0	54	0.0	-72.09	403.89	8.77	-63.32
CC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579284	1	54	0.0	-67.88	386.74	9.28	-58.60
CC1CC(NC(=O)N2CCCCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579285	0	55	0.0	-80.01	401.46	11.68	-68.33
CC1CC(NC(=O)N2CCCCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579285	1	55	0.0	-84.22	397.42	11.94	-72.28
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579286	0	53	0.0	-81.15	397.23	11.82	-69.33
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579286	1	53	0.0	-81.15	394.61	11.24	-69.91
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579287	0	58	0.0	-74.98	416.73	11.00	-63.98
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579287	1	58	0.0	-78.88	416.70	11.01	-67.87
CC1CC(NC(=O)N2CCCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579288	0	52	0.0	-80.35	384.11	9.63	-70.72
CC1CC(NC(=O)N2CCCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579288	1	52	0.0	-78.31	386.84	10.32	-67.99
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579289	0	55	0.0	-77.22	399.46	9.24	-67.98
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579289	1	55	0.0	-77.04	399.39	9.27	-67.77
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579290	0	61	0.0	-81.30	404.20	11.59	-69.71
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579290	1	61	0.0	-74.64	426.49	11.51	-63.13
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579291	0	58	0.0	-73.37	449.56	11.46	-61.91
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579291	1	58	0.0	-73.26	449.57	11.47	-61.79
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579292	0	58	0.0	-59.40	448.12	13.27	-46.13
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579292	1	58	0.0	-59.74	448.07	13.27	-46.47
CC1CC(NC(=O)NCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579293	0	45	0.0	-61.65	344.62	6.97	-54.68
CC1CC(NC(=O)NCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579293	1	45	0.0	-61.56	344.55	6.97	-54.59
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579294	0	55	0.0	-73.09	427.37	10.52	-62.57
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579294	1	55	0.0	-74.53	423.36	10.88	-63.65
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579295	0	55	0.0	-74.20	423.12	10.96	-63.24
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579295	1	55	0.0	-74.56	423.34	10.88	-63.68
CCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579296	0	51	0.0	-70.53	386.97	8.86	-61.67
CCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579296	1	51	0.0	-68.14	375.06	8.94	-59.20
CC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579297	0	54	0.0	-72.09	403.89	8.77	-63.32
CC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579297	1	54	0.0	-67.88	386.74	9.28	-58.60
CC1CC(NC(=O)N(C)CC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579298	0	48	0.0	-70.72	363.36	9.63	-61.09
CC1CC(NC(=O)N(C)CC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579298	1	48	0.0	-74.08	351.39	9.71	-64.37
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579299	0	58	0.0	-73.37	449.56	11.46	-61.91
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579299	1	58	0.0	-73.26	449.57	11.47	-61.79
CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579300	0	48	0.0	-62.80	365.39	7.78	-55.02
CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579300	1	48	0.0	-61.38	365.17	7.81	-53.57
CCC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579301	0	57	0.0	-70.46	420.33	10.04	-60.42
CCC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579301	1	57	0.0	-71.94	418.41	9.76	-62.18
CC1CC(NC(=O)N(C)CC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579302	0	48	0.0	-70.72	363.36	9.63	-61.09
CC1CC(NC(=O)N(C)CC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579302	1	48	0.0	-74.08	351.39	9.71	-64.37
CC1CC(NC(=O)N2CCCCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579303	0	55	0.0	-80.01	401.46	11.68	-68.33
CC1CC(NC(=O)N2CCCCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579303	1	55	0.0	-84.22	397.42	11.94	-72.28
CCCC(C)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579304	0	57	0.0	-70.96	412.85	9.92	-61.04
CCCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579304	1	57	0.0	-74.13	412.80	9.93	-64.20
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579305	0	54	0.0	-59.49	401.10	10.67	-48.82
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579305	1	54	0.0	-60.00	400.90	10.69	-49.31
CC1CC(NC(=O)N(CC(=O)[O-])C2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579306	0	52	0.0	-60.51	392.46	10.79	-49.72
CC1CC(NC(=O)N(CC(=O)[O-])C2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579306	1	52	0.0	-74.81	386.06	10.89	-63.92
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579307	0	52	0.0	-51.82	397.98	11.19	-40.63
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579307	1	52	0.0	-59.40	401.88	10.83	-48.57
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579308	0	57	0.0	-58.66	425.04	11.33	-47.33
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579308	1	57	0.0	-58.85	424.98	11.32	-47.53
CC1CC(NC(=O)NC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579309	0	51	0.0	-60.42	377.98	8.18	-52.24
CC1CC(NC(=O)NC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579309	1	51	0.0	-60.74	366.02	8.25	-52.49
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579310	0	55	0.0	-72.33	404.83	9.57	-62.76
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579310	1	55	0.0	-75.76	400.82	9.92	-65.84
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579311	0	52	0.0	-73.45	412.01	9.36	-64.09
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579311	1	52	0.0	-72.14	414.72	10.03	-62.11
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579312	0	58	0.0	-74.98	416.73	11.00	-63.98
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579312	1	58	0.0	-78.88	416.70	11.01	-67.87
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579313	0	54	0.0	-59.49	401.10	10.67	-48.82
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579313	1	54	0.0	-60.00	400.90	10.69	-49.31
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579314	0	54	0.0	-59.31	410.62	11.02	-48.29
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579314	1	54	0.0	-59.57	410.57	11.02	-48.55
CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579315	0	51	0.0	-71.39	389.12	10.27	-61.12
CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579315	1	51	0.0	-75.03	365.22	10.45	-64.58
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579316	0	57	0.0	-72.68	422.43	9.41	-63.27
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579316	1	57	0.0	-75.70	406.51	9.83	-65.87
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579317	0	55	0.0	-77.22	399.46	9.24	-67.98
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579317	1	55	0.0	-77.04	399.39	9.27	-67.77
CCC(C)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579318	0	54	0.0	-70.60	391.35	9.17	-61.43
CCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579318	1	54	0.0	-70.50	391.30	9.17	-61.33
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579319	0	58	0.0	-73.22	431.18	11.65	-61.57
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579319	1	58	0.0	-75.50	431.13	11.66	-63.84
C[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579320	0	48	0.0	-62.76	365.39	7.78	-54.98
C[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579320	1	48	0.0	-61.38	365.17	7.81	-53.57
CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579321	0	51	0.0	-71.39	389.12	10.27	-61.12
CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579321	1	51	0.0	-75.03	365.22	10.45	-64.58
C[C@@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579322	0	48	0.0	-63.76	369.36	7.43	-56.33
C[C@@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579322	1	48	0.0	-63.22	365.66	7.74	-55.48
CC1CC(NC(=O)NC2(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579323	0	49	0.0	-78.69	368.78	8.32	-70.37
CC1CC(NC(=O)NC2(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579323	1	49	0.0	-79.70	371.51	8.99	-70.71
CC1CC(NC(=O)N2CCOCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579324	0	53	0.0	-79.21	385.32	8.66	-70.55
CC1CC(NC(=O)N2CCOCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579324	1	53	0.0	-81.22	388.00	9.27	-71.95
CC1CC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579325	0	61	0.0	-78.92	423.21	11.65	-67.27
CC1CC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579325	1	61	0.0	-78.72	423.19	11.66	-67.06
CC1CC(NC(=O)NC(C(=O)[O-])C2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579326	0	52	0.0	-72.36	400.94	9.00	-63.36
CC1CC(NC(=O)NC(C(=O)[O-])C2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579326	1	52	0.0	-71.50	396.93	9.34	-62.16
CC1CC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579327	0	58	0.0	-72.89	434.52	12.75	-60.14
CC1CC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579327	1	58	0.0	-75.99	435.88	12.50	-63.49
COCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579328	0	55	0.0	-60.21	420.50	9.45	-50.76
COCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579328	1	55	0.0	-60.45	420.44	9.45	-51.00
CC1CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579329	0	52	0.0	-82.86	375.62	10.36	-72.50
CC1CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579329	1	52	0.0	-81.41	385.37	9.63	-71.78
CC1CC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579330	0	55	0.0	-82.80	396.78	11.74	-71.06
CC1CC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579330	1	55	0.0	-78.54	400.62	11.34	-67.20
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579331	0	51	0.0	-68.21	382.21	9.52	-58.69
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579331	1	51	0.0	-65.49	364.52	9.78	-55.71
CC1CC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579332	0	52	0.0	-80.32	384.13	9.64	-70.68
CC1CC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579332	1	52	0.0	-78.35	386.84	10.31	-68.04
CC1CC(NC(=O)NC2(C(=O)[O-])CCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579333	0	52	0.0	-79.50	376.18	9.56	-69.94
CC1CC(NC(=O)NC2(C(=O)[O-])CCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579333	1	52	0.0	-79.60	376.28	9.56	-70.04
C=CCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579334	0	52	0.0	-72.79	399.70	9.26	-63.53
C=CCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579334	1	52	0.0	-69.62	399.65	9.27	-60.35
CC1CC(NC(=O)N2CCCC2(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579335	0	55	0.0	-76.89	407.05	10.89	-66.00
CC1CC(NC(=O)N2CCCC2(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579335	1	55	0.0	-79.39	400.23	10.58	-68.81
CC1CC(NC(=O)N2CCCCCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579336	0	58	0.0	-72.51	414.94	11.66	-60.85
CC1CC(NC(=O)N2CCCCCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579336	1	58	0.0	-79.37	413.41	12.69	-66.68
CC1CC(NC(=O)NC(C(=O)[O-])C2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579337	0	52	0.0	-72.36	400.94	9.00	-63.36
CC1CC(NC(=O)NC(C(=O)[O-])C2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579337	1	52	0.0	-71.50	396.93	9.34	-62.16
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579338	0	51	0.0	-66.84	378.26	9.86	-56.98
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579338	1	51	0.0	-68.17	381.66	9.41	-58.76
CCCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579339	0	57	0.0	-74.13	430.21	10.34	-63.79
CCCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579339	1	57	0.0	-70.18	429.33	10.38	-59.80
CC1CC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579340	0	55	0.0	-81.38	403.06	11.24	-70.14
CC1CC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579340	1	55	0.0	-76.84	406.99	10.90	-65.94
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579341	0	58	0.0	-56.22	421.50	12.17	-44.05
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579341	1	58	0.0	-58.84	425.40	11.83	-47.01
COCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579342	0	52	0.0	-74.68	398.59	7.03	-67.65
COCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579342	1	52	0.0	-71.95	399.02	7.05	-64.90
CCCCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579343	0	60	0.0	-70.97	454.86	10.80	-60.17
CCCCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579343	1	60	0.0	-70.81	451.66	11.13	-59.68
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579344	0	59	0.0	-56.91	429.91	10.51	-46.40
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579344	1	59	0.0	-51.05	429.93	10.52	-40.53
CC1CC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579345	0	58	0.0	-78.57	414.37	11.92	-66.65
CC1CC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579345	1	58	0.0	-77.56	412.77	11.64	-65.92
CC(C(=O)[O-])N(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C1CC1	REAL300012579346	0	55	0.0	-62.40	407.61	10.96	-51.44
CC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C1CC1	REAL300012579346	1	55	0.0	-70.09	396.10	10.92	-59.17
CCC(C(=O)[O-])N(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C1CC1	REAL300012579347	0	58	0.0	-60.70	429.11	12.13	-48.57
CCC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C1CC1	REAL300012579347	1	58	0.0	-73.53	414.82	11.86	-61.67
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579348	0	55	0.0	-78.16	427.85	10.96	-67.20
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC[N@H+]1CC1=CC=CC=C1	REAL300012579348	1	55	0.0	-78.59	427.74	10.96	-67.63
CC1=CC=C(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C(=O)[O-])C=C1	REAL300012579349	0	58	0.0	-73.30	448.74	11.19	-62.11
CC1=CC=C(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C(=O)[O-])C=C1	REAL300012579349	1	58	0.0	-74.11	444.51	11.63	-62.48
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579350	0	51	0.0	-65.56	403.14	9.48	-56.08
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579350	1	51	0.0	-64.63	402.26	9.54	-55.09
CC1CC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579351	0	56	0.0	-73.40	411.67	10.01	-63.39
CC1CC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579351	1	56	0.0	-73.22	411.63	10.00	-63.22
COCC(C)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579352	0	55	0.0	-75.29	409.60	8.45	-66.84
COCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579352	1	55	0.0	-78.42	409.55	8.46	-69.96
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579353	0	58	0.0	-68.34	430.23	10.20	-58.14
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579353	1	58	0.0	-69.83	433.52	9.77	-60.06
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579354	0	57	0.0	-58.66	425.04	11.33	-47.33
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579354	1	57	0.0	-58.85	424.98	11.32	-47.53
CC1CC(NC(=O)N(CC(=O)[O-])C2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579355	0	52	0.0	-60.51	392.46	10.79	-49.72
CC1CC(NC(=O)N(CC(=O)[O-])C2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579355	1	52	0.0	-74.81	386.06	10.89	-63.92
CC1CC(NC(=O)NC2(C(=O)[O-])CCOC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579356	0	53	0.0	-70.36	396.89	6.91	-63.45
CC1CC(NC(=O)NC2(C(=O)[O-])CCOC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579356	1	53	0.0	-70.85	392.81	7.30	-63.55
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579357	0	61	0.0	-74.40	441.23	10.61	-63.79
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579357	1	61	0.0	-76.76	434.00	11.34	-65.42
CC1CC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579358	0	56	0.0	-76.52	405.38	7.85	-68.67
CC1CC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579358	1	56	0.0	-74.40	408.11	8.52	-65.88
C=CCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579359	0	55	0.0	-73.64	421.55	10.13	-63.51
C=CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579359	1	55	0.0	-70.57	421.48	10.13	-60.44
CC1CC(NC(=O)NC(CF)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579360	0	48	0.0	-60.35	369.00	7.79	-52.56
CC1CC(NC(=O)NC(CF)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579360	1	48	0.0	-59.23	368.79	7.82	-51.41
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579361	0	51	0.0	-66.84	378.26	9.86	-56.98
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579361	1	51	0.0	-68.17	381.66	9.41	-58.76
CCC(CC)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579362	0	57	0.0	-71.74	411.72	9.71	-62.03
CCC(CC)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579362	1	57	0.0	-75.46	407.69	10.06	-65.40
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579363	0	57	0.0	-57.34	422.20	11.76	-45.58
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579363	1	57	0.0	-48.94	418.17	12.10	-36.84
CCC(COC)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579364	0	58	0.0	-76.34	430.02	9.01	-67.33
CCC(COC)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579364	1	58	0.0	-76.28	430.20	9.02	-67.26
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579365	0	61	0.0	-68.69	449.89	10.86	-57.83
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579365	1	61	0.0	-72.80	438.54	11.04	-61.76
CC1CC(NC(=O)NC(CC2CC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579366	0	55	0.0	-74.04	418.84	10.36	-63.68
CC1CC(NC(=O)NC(CC2CC2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579366	1	55	0.0	-73.77	416.30	9.63	-64.14
COCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579367	0	55	0.0	-73.93	420.09	7.89	-66.04
COCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579367	1	55	0.0	-71.09	420.84	7.86	-63.23
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579368	0	60	0.0	-67.17	436.57	12.28	-54.89
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579368	1	60	0.0	-69.91	441.31	11.89	-58.02
CC1CC(NC(=O)NC(CC(F)F)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579369	0	51	0.0	-67.88	397.03	9.35	-58.53
CC1CC(NC(=O)NC(CC(F)F)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579369	1	51	0.0	-70.86	399.51	9.09	-61.77
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579370	0	61	0.0	-77.74	427.85	13.39	-64.35
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579370	1	61	0.0	-73.61	425.77	12.96	-60.65
CCCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(C)C(=O)[O-]	REAL300012579371	0	57	0.0	-71.19	423.82	11.72	-59.47
CCCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(C)C(=O)[O-]	REAL300012579371	1	57	0.0	-75.13	419.52	12.06	-63.07
CC1CC(NC(=O)NC(CCF)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579372	0	51	0.0	-73.11	393.83	8.94	-64.17
CC1CC(NC(=O)NC(CCF)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579372	1	51	0.0	-69.03	392.92	8.97	-60.06
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579373	0	59	0.0	-56.91	429.91	10.51	-46.40
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579373	1	59	0.0	-51.05	429.93	10.52	-40.53
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579374	0	61	0.0	-56.53	438.90	12.87	-43.66
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579374	1	61	0.0	-59.21	442.81	12.53	-46.68
C[C@H]1CC[C@@](NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)(C(=O)[O-])CC1	REAL300012579375	0	61	0.0	-77.26	427.79	10.71	-66.55
C[C@H]1CC[C@@](NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)(C(=O)[O-])CC1	REAL300012579375	1	61	0.0	-79.12	430.50	11.39	-67.73
CC1CC(NC(=O)NC(C)(CCF)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579376	0	54	0.0	-71.05	397.96	9.31	-61.74
CC1CC(NC(=O)NC(C)(CCF)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579376	1	54	0.0	-70.99	397.89	9.31	-61.68
CC1CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579377	0	56	0.0	-65.54	417.43	10.68	-54.86
CC1CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579377	1	56	0.0	-63.83	407.92	11.41	-52.42
CC1CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579378	0	52	0.0	-72.23	405.16	10.12	-62.11
CC1CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579378	1	52	0.0	-75.41	401.14	10.47	-64.94
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579379	0	51	0.0	-68.65	381.15	9.46	-59.19
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579379	1	51	0.0	-66.73	378.20	9.88	-56.85
CC1CC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579380	0	53	0.0	-83.92	380.43	11.08	-72.84
CC1CC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC[N@H+]1CC1=CC=CC=C1	REAL300012579380	1	53	0.0	-86.19	393.37	11.30	-74.89
COC1CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C(C)(C(=O)[O-])C1	REAL300012579381	0	59	0.0	-77.28	440.35	9.87	-67.41
COC1CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C(C)(C(=O)[O-])C1	REAL300012579381	1	59	0.0	-79.76	433.54	9.55	-70.21
CC1CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579382	0	57	0.0	-71.48	420.37	9.58	-61.90
CC1CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC[N@H+]1CC1=CC=CC=C1	REAL300012579382	1	57	0.0	-76.25	406.04	9.98	-66.27
C=C(Cl)CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579383	0	52	0.0	-74.67	415.65	9.88	-64.79
C=C(Cl)CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579383	1	52	0.0	-72.11	416.43	9.85	-62.26
C=C(C)CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579384	0	55	0.0	-74.41	421.06	9.98	-64.43
C=C(C)CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579384	1	55	0.0	-70.18	420.18	10.03	-60.15
CC1CC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579385	0	56	0.0	-81.62	410.07	11.82	-69.80
CC1CC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC[N@H+]1CC1=CC=CC=C1	REAL300012579385	1	56	0.0	-89.09	407.80	12.14	-76.95
CC1CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579386	0	52	0.0	-69.69	387.94	10.57	-59.12
CC1CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579386	1	52	0.0	-74.01	397.04	9.79	-64.22
CC1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579387	0	52	0.0	-79.67	393.38	10.38	-69.29
CC1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579387	1	52	0.0	-80.05	380.78	10.44	-69.61
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C1	REAL300012579388	0	53	0.0	-75.28	388.36	10.86	-64.42
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C1	REAL300012579388	1	53	0.0	-77.46	404.13	10.43	-67.03
CC(C)C[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579389	0	57	0.0	-72.17	429.84	9.78	-62.39
CC(C)C[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579389	1	57	0.0	-75.35	413.97	10.18	-65.17
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579390	0	59	0.0	-73.62	431.12	8.66	-64.96
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579390	1	59	0.0	-70.79	419.20	8.74	-62.05
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579391	0	55	0.0	-74.20	423.12	10.96	-63.24
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579391	1	55	0.0	-74.56	423.34	10.88	-63.68
CC1CC(NC(=O)NC(CC2CC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579392	0	55	0.0	-74.04	418.84	10.36	-63.68
CC1CC(NC(=O)NC(CC2CC2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579392	1	55	0.0	-73.77	416.30	9.63	-64.14
CC(C)CCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579393	0	63	0.0	-73.62	468.47	11.67	-61.95
CC(C)CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579393	1	63	0.0	-70.93	469.22	11.64	-59.29
CC1CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579394	0	59	0.0	-78.00	442.51	9.16	-68.84
CC1CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579394	1	59	0.0	-73.55	431.52	9.27	-64.28
CSCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579395	0	52	0.0	-70.75	410.69	9.21	-61.54
CSCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579395	1	52	0.0	-67.50	409.96	9.26	-58.24
COC[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579396	0	52	0.0	-72.80	402.56	6.68	-66.12
COC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579396	1	52	0.0	-71.30	398.55	7.04	-64.26
CC[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579397	0	51	0.0	-71.10	390.36	8.47	-62.63
CC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579397	1	51	0.0	-70.21	386.34	8.82	-61.39
CCC(C)CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579398	0	60	0.0	-75.08	444.17	10.80	-64.28
CCC(C)CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579398	1	60	0.0	-70.55	443.26	10.78	-59.77
C=CCCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579399	0	58	0.0	-72.78	442.19	10.93	-61.85
C=CCCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579399	1	58	0.0	-70.47	442.97	10.91	-59.56
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579400	0	53	0.0	-81.15	397.23	11.82	-69.33
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579400	1	53	0.0	-81.15	394.61	11.24	-69.91
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579401	0	58	0.0	-73.22	431.18	11.65	-61.57
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579401	1	58	0.0	-75.50	431.13	11.66	-63.84
CC1CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579402	0	52	0.0	-82.86	375.62	10.36	-72.50
CC1CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579402	1	52	0.0	-81.41	385.37	9.63	-71.78
CCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579403	0	54	0.0	-73.50	407.91	9.59	-63.91
CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579403	1	54	0.0	-70.20	407.83	9.59	-60.61
CC(C)[C@@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579404	0	54	0.0	-72.20	408.23	9.02	-63.18
CC(C)[C@@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579404	1	54	0.0	-67.91	386.77	9.29	-58.62
CC1CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579405	0	56	0.0	-82.38	411.81	11.94	-70.44
CC1CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579405	1	56	0.0	-85.30	395.45	12.30	-73.00
CCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(C)(C)C(=O)[O-]	REAL300012579406	0	57	0.0	-73.80	415.92	11.23	-62.57
CCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(C)(C)C(=O)[O-]	REAL300012579406	1	57	0.0	-73.59	415.81	11.20	-62.39
CCCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(C)C(=O)[O-]	REAL300012579407	0	57	0.0	-71.19	423.82	11.72	-59.47
CCCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(C)C(=O)[O-]	REAL300012579407	1	57	0.0	-75.13	419.52	12.06	-63.07
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579408	0	51	0.0	-67.24	403.74	10.76	-56.48
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC[N@H+]1CC1=CC=CC=C1	REAL300012579408	1	51	0.0	-67.40	403.69	10.77	-56.63
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579409	0	51	0.0	-67.24	403.74	10.76	-56.48
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC[N@H+]1CC1=CC=CC=C1	REAL300012579409	1	51	0.0	-67.40	403.69	10.77	-56.63
CC1CC(NC(=O)N(C)C(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579410	0	54	0.0	-78.74	392.35	10.70	-68.04
CC1CC(NC(=O)N(C)C(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579410	1	54	0.0	-74.55	396.25	10.36	-64.19
CC1CC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579411	0	52	0.0	-80.32	384.13	9.64	-70.68
CC1CC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579411	1	52	0.0	-78.35	386.84	10.31	-68.04
CC1CC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579412	0	53	0.0	-80.17	398.00	7.02	-73.15
CC1CC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579412	1	53	0.0	-84.31	397.94	7.02	-77.29
CCC[C@@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579413	0	54	0.0	-71.30	412.45	9.28	-62.02
CCC[C@@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579413	1	54	0.0	-73.66	408.43	9.63	-64.03
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579414	0	55	0.0	-73.09	427.37	10.52	-62.57
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579414	1	55	0.0	-74.53	423.36	10.88	-63.65
C=CCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579415	0	55	0.0	-73.64	421.55	10.13	-63.51
C=CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579415	1	55	0.0	-70.57	421.48	10.13	-60.44
CC1CC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579416	0	56	0.0	-72.03	400.50	9.88	-62.15
CC1CC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579416	1	56	0.0	-73.08	413.72	9.95	-63.13
CC1CC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579417	0	55	0.0	-76.87	407.04	10.90	-65.97
CC1CC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579417	1	55	0.0	-81.34	403.08	11.25	-70.09
CC(C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579418	0	54	0.0	-74.62	401.52	8.71	-65.91
CC(C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579418	1	54	0.0	-71.35	404.21	9.38	-61.97
CC1CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579419	0	55	0.0	-73.21	427.32	10.52	-62.69
CC1CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579419	1	55	0.0	-74.49	411.18	11.03	-63.46
CC1CC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579420	0	58	0.0	-74.27	437.08	10.27	-64.00
CC1CC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579420	1	58	0.0	-70.91	437.11	10.25	-60.66
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579421	0	51	0.0	-68.65	381.15	9.46	-59.19
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579421	1	51	0.0	-66.73	378.20	9.88	-56.85
CCC[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579422	0	54	0.0	-71.09	411.85	9.23	-61.86
CCC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579422	1	54	0.0	-74.86	396.76	9.63	-65.23
CCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(C)C(=O)[O-]	REAL300012579423	0	54	0.0	-72.85	398.01	11.35	-61.50
CCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(C)C(=O)[O-]	REAL300012579423	1	54	0.0	-68.09	396.14	10.73	-57.36
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579424	0	58	0.0	-56.22	421.50	12.17	-44.05
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579424	1	58	0.0	-58.84	425.40	11.83	-47.01
CC(CN(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579425	0	54	0.0	-75.00	398.46	10.29	-64.71
CC(CN(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579425	1	54	0.0	-72.55	401.49	9.92	-62.63
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579426	0	57	0.0	-72.68	422.43	9.41	-63.27
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579426	1	57	0.0	-75.70	406.51	9.83	-65.87
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579427	0	54	0.0	-69.54	401.61	10.45	-59.09
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579427	1	54	0.0	-71.84	382.69	10.92	-60.92
CC1CC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579428	0	56	0.0	-78.22	417.84	6.12	-72.10
CC1CC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579428	1	56	0.0	-74.02	408.46	6.85	-67.17
CC1CCC(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)(C(=O)[O-])C1	REAL300012579429	0	58	0.0	-74.67	426.38	10.20	-64.47
CC1CCC(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)(C(=O)[O-])C1	REAL300012579429	1	58	0.0	-79.22	411.44	10.57	-68.65
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579430	0	61	0.0	-74.97	432.77	11.26	-63.71
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC[N@H+]1CC1=CC=CC=C1	REAL300012579430	1	61	0.0	-79.44	420.83	11.31	-68.13
COCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579431	0	55	0.0	-73.93	420.09	7.89	-66.04
COCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579431	1	55	0.0	-71.09	420.84	7.86	-63.23
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579432	0	58	0.0	-78.78	421.65	10.54	-68.24
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579432	1	58	0.0	-74.16	412.85	11.25	-62.91
CC1CC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579433	0	55	0.0	-75.68	410.76	9.10	-66.58
CC1CC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579433	1	55	0.0	-75.93	408.62	10.14	-65.79
CC1CC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579434	0	53	0.0	-85.81	393.87	6.55	-79.26
CC1CC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579434	1	53	0.0	-80.30	384.76	7.26	-73.04
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579435	0	56	0.0	-71.22	417.31	7.83	-63.39
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579435	1	56	0.0	-73.32	414.40	7.74	-65.58
CC1CC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579436	0	56	0.0	-80.55	412.03	11.49	-69.06
CC1CC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579436	1	56	0.0	-82.82	407.97	11.82	-71.00
CC1CC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579437	0	54	0.0	-81.08	400.06	9.62	-71.46
CC1CC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC[N@H+]1CC1=CC=CC=C1	REAL300012579437	1	54	0.0	-80.76	388.45	9.63	-71.13
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C1	REAL300012579438	0	58	0.0	-82.61	415.49	11.91	-70.70
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C1	REAL300012579438	1	58	0.0	-82.87	415.28	11.88	-70.99
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579439	0	62	0.0	-74.45	454.48	12.63	-61.82
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579439	1	62	0.0	-72.09	463.79	11.59	-60.50
CC1CC(NC(=O)NC(C(=O)[O-])C2CCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579440	0	55	0.0	-75.11	413.98	9.85	-65.26
CC1CC(NC(=O)NC(C(=O)[O-])C2CCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579440	1	55	0.0	-68.50	395.08	9.84	-58.66
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579441	0	61	0.0	-74.40	441.23	10.61	-63.79
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579441	1	61	0.0	-76.76	434.00	11.34	-65.42
CC1CC(NC(=O)NC(C(=O)[O-])C2CCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579442	0	55	0.0	-75.11	413.98	9.85	-65.26
CC1CC(NC(=O)NC(C(=O)[O-])C2CCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579442	1	55	0.0	-68.50	395.08	9.84	-58.66
CC1CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C1C(=O)[O-]	REAL300012579443	0	55	0.0	-78.88	402.16	10.86	-68.02
CC1CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C1C(=O)[O-]	REAL300012579443	1	55	0.0	-80.78	403.74	10.62	-70.16
C=CCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579444	0	52	0.0	-72.79	399.70	9.26	-63.53
C=CCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579444	1	52	0.0	-69.62	399.65	9.27	-60.35
CC1CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579445	0	62	0.0	-55.39	430.30	11.87	-43.52
CC1CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC[N@H+]1CC1=CC=CC=C1	REAL300012579445	1	62	0.0	-53.86	436.90	12.18	-41.68
CC1CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579446	0	56	0.0	-56.96	413.34	11.35	-45.61
CC1CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579446	1	56	0.0	-57.98	395.93	12.02	-45.96
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579447	0	62	0.0	-74.45	454.48	12.63	-61.82
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579447	1	62	0.0	-72.09	463.79	11.59	-60.50
COC1CC(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)(C(=O)[O-])C1	REAL300012579448	0	56	0.0	-74.74	408.18	8.41	-66.33
COC1CC(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)(C(=O)[O-])C1	REAL300012579448	1	56	0.0	-69.61	408.24	8.42	-61.19
CC1CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579449	0	52	0.0	-76.24	394.28	8.85	-67.39
CC1CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579449	1	52	0.0	-71.94	385.17	9.58	-62.36
CO[C@H]1C[C@](NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)(C(=O)[O-])C1	REAL300012579450	0	56	0.0	-76.37	408.49	8.79	-67.58
CO[C@H]1C[C@](NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)(C(=O)[O-])C1	REAL300012579450	1	56	0.0	-71.17	423.74	8.02	-63.15
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579451	0	58	0.0	-77.10	404.45	12.53	-64.57
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579451	1	58	0.0	-81.98	413.44	11.81	-70.17
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579452	0	51	0.0	-65.56	403.14	9.48	-56.08
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579452	1	51	0.0	-64.63	402.26	9.54	-55.09
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579453	0	59	0.0	-69.14	437.33	9.44	-59.70
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579453	1	59	0.0	-71.01	445.17	8.54	-62.47
CC1CC(NC(=O)NC2(C(=O)[O-])COC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579454	0	50	0.0	-72.26	376.07	5.89	-66.37
CC1CC(NC(=O)NC2(C(=O)[O-])COC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579454	1	50	0.0	-71.99	378.61	6.68	-65.31
CC(C)C(C)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579455	0	57	0.0	-71.36	406.27	9.79	-61.57
CC(C)C(C)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579455	1	57	0.0	-75.06	408.04	9.86	-65.20
CC1CC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579456	0	53	0.0	-84.15	381.59	11.82	-72.33
CC1CC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579456	1	53	0.0	-85.10	393.54	11.86	-73.24
CC1CC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579457	0	56	0.0	-83.62	396.64	11.50	-72.12
CC1CC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579457	1	56	0.0	-83.51	409.28	11.47	-72.04
CC1CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579458	0	62	0.0	-76.99	449.49	11.41	-65.58
CC1CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC[N@H+]1CC1=CC=CC=C1	REAL300012579458	1	62	0.0	-77.38	437.22	11.71	-65.67
CC1CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579459	0	62	0.0	-57.17	444.94	12.02	-45.15
CC1CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579459	1	62	0.0	-57.04	454.02	12.27	-44.77
CC1CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579460	0	62	0.0	-84.22	433.76	12.65	-71.57
CC1CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579460	1	62	0.0	-84.78	444.42	12.40	-72.38
C=CCSCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579461	0	56	0.0	-69.96	444.32	10.71	-59.25
C=CCSCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579461	1	56	0.0	-68.40	444.92	10.67	-57.73
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579462	0	57	0.0	-71.73	412.09	11.68	-60.05
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579462	1	57	0.0	-71.51	411.88	11.62	-59.89
COC1(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C(=O)[O-])CCC1	REAL300012579463	0	59	0.0	-72.02	430.85	7.78	-64.24
COC1(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C(=O)[O-])CCC1	REAL300012579463	1	59	0.0	-71.66	430.65	7.80	-63.86
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579464	0	55	0.0	-81.12	417.58	9.68	-71.44
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579464	1	55	0.0	-74.49	406.42	10.30	-64.19
CC1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579466	0	52	0.0	-79.67	393.38	10.38	-69.29
CC1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579466	1	52	0.0	-80.05	380.78	10.44	-69.61
CC1CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579467	0	54	0.0	-57.38	399.06	10.87	-46.51
CC1CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579467	1	54	0.0	-58.07	399.42	10.77	-47.30
CC1CC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579468	0	58	0.0	-80.23	427.40	10.89	-69.34
CC1CC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579468	1	58	0.0	-78.62	420.62	11.65	-66.97
CC1CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579469	0	62	0.0	-83.26	438.70	12.94	-70.32
CC1CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579469	1	62	0.0	-84.80	430.49	13.74	-71.06
CC(C)CCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579470	0	60	0.0	-73.79	446.98	10.89	-62.90
CC(C)CCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579470	1	60	0.0	-70.29	446.90	10.89	-59.40
CC1CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579471	0	59	0.0	-57.36	431.07	11.48	-45.88
CC1CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579471	1	59	0.0	-57.10	421.87	12.23	-44.87
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579472	0	59	0.0	-69.14	437.33	9.44	-59.70
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579472	1	59	0.0	-71.01	445.17	8.54	-62.47
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C1	REAL300012579473	0	56	0.0	-77.79	426.49	11.21	-66.58
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C1	REAL300012579473	1	56	0.0	-75.05	433.18	11.52	-63.53
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579474	0	59	0.0	-74.06	429.18	11.03	-63.03
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC[N@H+]1CC1=CC=CC=C1	REAL300012579474	1	59	0.0	-76.77	422.21	11.65	-65.12
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579475	0	56	0.0	-76.99	409.51	10.79	-66.20
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC[N@H+]1CC1=CC=CC=C1	REAL300012579475	1	56	0.0	-77.24	408.25	9.83	-67.41
CC1CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579476	0	59	0.0	-74.16	434.92	10.77	-63.39
CC1CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579476	1	59	0.0	-75.62	431.22	11.12	-64.50
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579477	0	58	0.0	-72.25	423.52	10.31	-61.94
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579477	1	58	0.0	-76.37	416.65	10.54	-65.83
CO[C@H](C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579478	0	55	0.0	-73.17	421.19	7.69	-65.48
CO[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579478	1	55	0.0	-71.03	416.68	8.05	-62.98
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579479	0	55	0.0	-77.01	414.21	10.18	-66.83
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579479	1	55	0.0	-77.55	406.36	10.34	-67.21
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579480	0	58	0.0	-59.40	448.12	13.27	-46.13
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579480	1	58	0.0	-59.74	448.07	13.27	-46.47
CC1CC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579481	0	58	0.0	-45.99	424.61	11.38	-34.61
CC1CC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579481	1	58	0.0	-57.50	416.20	11.54	-45.96
CC1CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579482	0	55	0.0	-81.01	406.06	11.45	-69.56
CC1CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579482	1	55	0.0	-83.04	408.69	12.02	-71.02
CC1CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579483	0	52	0.0	-77.78	401.37	10.29	-67.49
CC1CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579483	1	52	0.0	-82.35	398.65	10.44	-71.91
CC1CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579484	0	55	0.0	-72.97	412.36	10.70	-62.27
CC1CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579484	1	55	0.0	-72.33	403.03	11.50	-60.83
CC1CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579485	0	59	0.0	-79.76	427.46	11.42	-68.34
CC1CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579485	1	59	0.0	-82.62	421.96	11.15	-71.47
COCCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579486	0	58	0.0	-72.42	441.56	8.65	-63.77
COCCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579486	1	58	0.0	-70.43	442.34	8.64	-61.79
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579487	0	57	0.0	-67.31	420.21	11.71	-55.60
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579487	1	57	0.0	-68.79	424.11	11.37	-57.42
CCOCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579488	0	55	0.0	-75.16	420.47	8.02	-67.14
CCOCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300012579488	1	55	0.0	-71.66	420.39	8.02	-63.64
CC1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579489	0	60	0.0	-72.25	442.02	10.85	-61.40
CC1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579489	1	60	0.0	-71.57	441.11	10.87	-60.70
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579490	0	59	0.0	-75.18	441.69	8.60	-66.58
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579490	1	59	0.0	-76.29	423.06	8.98	-67.31
CC1CC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579491	0	56	0.0	-78.46	412.75	9.94	-68.52
CC1CC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579491	1	56	0.0	-78.65	412.57	9.95	-68.70
CC1CC(NC(=O)NC(CCC#N)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012579492	0	52	0.0	-76.09	408.10	9.30	-66.79
CC1CC(NC(=O)NC(CCC#N)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012579492	1	52	0.0	-72.22	408.02	9.30	-62.92
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012579493	0	55	0.0	-61.61	423.07	11.10	-50.51
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC[N@H+]1CC1=CC=CC=C1	REAL300012579493	1	55	0.0	-52.84	425.78	11.76	-41.08
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579494	0	51	0.0	-68.21	382.21	9.52	-58.69
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300012579494	1	51	0.0	-65.49	364.52	9.78	-55.71
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C1	REAL300012579495	0	59	0.0	-72.89	427.85	10.74	-62.15
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C1	REAL300012579495	1	59	0.0	-80.10	438.30	9.98	-70.12
CC(C)C[C@H](NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579496	0	56	0.0	-70.96	418.22	8.24	-62.72
C=CCOCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579497	0	55	0.0	-71.79	425.74	6.62	-65.17
C=CC(C)C(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579498	0	54	0.0	-68.01	404.42	7.76	-60.25
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300012579499	0	58	0.0	-69.83	420.52	6.23	-63.60
COC1CCN(C(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012579500	0	58	0.0	-80.73	418.98	8.66	-72.07
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CC=CC=C1	REAL300012579501	0	58	0.0	-67.16	424.21	6.69	-60.47
CC([NH2+]C(C)(C)CNC(=O)N1CCC(C)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012579502	0	57	0.0	-77.66	407.85	10.39	-67.27
CC1=CC(C)=CC(C(NC(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C(=O)[O-])=C1	REAL300012579503	0	60	0.0	-68.34	455.03	9.83	-58.51
CC1=CC=C(C(NC(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012579504	0	60	0.0	-72.93	450.61	9.71	-63.22
CC1=CC=CC(C(NC(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012579505	0	60	0.0	-67.52	443.60	9.59	-57.93
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579506	0	53	0.0	-55.83	399.04	9.41	-46.42
CC([NH2+]C(C)(C)CNC(=O)N(C(C)C(=O)[O-])C1CCC1)C1=CC=CC=C1	REAL300012579507	0	57	0.0	-37.35	404.91	10.53	-26.82
CCCN(C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(COC)C(=O)[O-]	REAL300012579508	0	60	0.0	-69.04	441.75	10.34	-58.70
CCCN(C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012579509	0	59	0.0	-46.98	420.24	10.99	-35.99
CC(C)C(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579510	0	53	0.0	-71.53	392.31	7.17	-64.36
CC([NH2+]C(C)(C)CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC=C1	REAL300012579511	0	54	0.0	-79.98	386.13	9.96	-70.02
CC([NH2+]C(C)(C)CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CC=C1	REAL300012579512	0	52	0.0	-77.01	385.12	9.83	-67.18
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CC=C1	REAL300012579513	0	57	0.0	-71.76	409.28	9.09	-62.67
CC([NH2+]C(C)(C)CNC(=O)N1CCCC1C(=O)[O-])C1=CC=CC=C1	REAL300012579514	0	51	0.0	-77.49	375.03	8.73	-68.76
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012579515	0	54	0.0	-75.26	390.53	7.62	-67.64
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCCCCC1)C1=CC=CC=C1	REAL300012579516	0	60	0.0	-72.72	414.94	9.76	-62.96
CC([NH2+]C(C)(C)CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012579517	0	57	0.0	-69.02	437.81	9.92	-59.10
CC([NH2+]C(C)(C)CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012579518	0	57	0.0	-55.38	436.55	11.66	-43.72
CC([NH2+]C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012579519	0	54	0.0	-67.85	412.28	8.61	-59.24
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012579520	0	54	0.0	-71.76	411.94	8.59	-63.17
CCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579521	0	50	0.0	-70.59	378.78	6.86	-63.73
CC(C)C(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579522	0	53	0.0	-71.53	392.31	7.17	-64.36
CC([NH2+]C(C)(C)CNC(=O)N(C)CC(=O)[O-])C1=CC=CC=C1	REAL300012579523	0	47	0.0	-67.38	355.74	7.67	-59.71
CC([NH2+]C(C)(C)CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012579524	0	57	0.0	-69.02	437.81	9.92	-59.10
CC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579525	0	47	0.0	-61.65	357.62	5.85	-55.80
CCC(C)C(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579526	0	56	0.0	-70.70	409.20	7.78	-62.92
CC([NH2+]C(C)(C)CNC(=O)N(C)CC(=O)[O-])C1=CC=CC=C1	REAL300012579527	0	47	0.0	-67.38	355.74	7.67	-59.71
CC([NH2+]C(C)(C)CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC=C1	REAL300012579528	0	54	0.0	-79.98	386.13	9.96	-70.02
CCCC(C)(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579529	0	56	0.0	-70.63	405.25	7.98	-62.65
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579530	0	53	0.0	-57.02	387.58	8.93	-48.09
CC([NH2+]C(C)(C)CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012579531	0	51	0.0	-54.47	376.29	8.81	-45.66
C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579532	0	51	0.0	-55.63	390.35	9.21	-46.42
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579533	0	56	0.0	-55.33	413.45	9.71	-45.62
CC([NH2+]C(C)(C)CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1=CC=CC=C1	REAL300012579534	0	58	0.0	-80.31	427.64	11.93	-68.38
CC([NH2+]C(C)(C)CNC(=O)NC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300012579535	0	50	0.0	-59.82	370.37	6.22	-53.60
CC([NH2+]C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012579536	0	54	0.0	-69.14	393.40	8.00	-61.14
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1=CC=CC=C1	REAL300012579537	0	51	0.0	-70.38	403.79	7.60	-62.78
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CC=C1	REAL300012579538	0	57	0.0	-71.76	409.28	9.09	-62.67
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579539	0	53	0.0	-57.02	387.58	8.93	-48.09
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579540	0	53	0.0	-55.83	399.04	9.41	-46.42
CCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579541	0	50	0.0	-67.51	377.54	8.65	-58.86
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579542	0	56	0.0	-71.09	410.28	7.88	-63.21
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012579543	0	54	0.0	-75.26	390.53	7.62	-67.64
CCC(C)(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579544	0	53	0.0	-70.36	383.75	7.22	-63.14
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=CC=C1	REAL300012579545	0	58	0.0	-70.24	433.88	10.13	-60.11
CC([NH2+]C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012579546	0	57	0.0	-71.92	424.12	9.68	-62.24
CC([NH2+]C(C)(C)CNC(=O)N[C@@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300012579547	0	47	0.0	-60.70	357.77	5.88	-54.82
CCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579548	0	50	0.0	-67.51	377.54	8.65	-58.86
CCCCCCC(C)(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579549	0	65	0.0	-70.79	469.75	10.31	-60.48
CC([NH2+]C(C)(C)CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012579550	0	60	0.0	-67.71	447.13	11.89	-55.82
CC([NH2+]C(C)(C)CNC(=O)N[C@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300012579551	0	47	0.0	-60.30	358.25	5.82	-54.48
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300012579552	0	48	0.0	-76.27	360.44	6.74	-69.53
CC([NH2+]C(C)(C)CNC(=O)N1CCOCC1C(=O)[O-])C1=CC=CC=C1	REAL300012579553	0	52	0.0	-76.30	380.47	7.55	-68.75
CC([NH2+]C(C)(C)CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)C1=CC=CC=C1	REAL300012579554	0	60	0.0	-78.26	414.37	10.14	-68.12
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012579555	0	51	0.0	-69.81	382.66	7.32	-62.49
CC([NH2+]C(C)(C)CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CC=C1	REAL300012579556	0	60	0.0	-56.92	458.95	12.43	-44.49
CC([NH2+]C(C)(C)CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012579557	0	57	0.0	-69.43	419.42	10.09	-59.34
COCCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579558	0	54	0.0	-56.22	408.92	7.84	-48.38
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1=CC=CC=C1	REAL300012579559	0	58	0.0	-75.97	430.94	10.06	-65.91
CC([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579560	0	51	0.0	-74.78	379.65	8.47	-66.31
CC([NH2+]C(C)(C)CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579561	0	54	0.0	-78.01	385.78	9.49	-68.52
CC([NH2+]C(C)(C)CNC(=O)N(C)[C@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300012579562	0	50	0.0	-64.69	369.71	7.87	-56.82
CC([NH2+]C(C)(C)CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579563	0	51	0.0	-77.50	375.02	8.73	-68.77
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCC1)C1=CC=CC=C1	REAL300012579564	0	51	0.0	-75.94	381.00	7.58	-68.36
C=CCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579565	0	51	0.0	-69.82	392.10	7.30	-62.52
CC([NH2+]C(C)(C)CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CC=CC=C1	REAL300012579566	0	54	0.0	-71.82	391.92	8.90	-62.92
CC([NH2+]C(C)(C)CNC(=O)N1CCCCCC1C(=O)[O-])C1=CC=CC=C1	REAL300012579567	0	57	0.0	-78.00	399.01	10.27	-67.73
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012579568	0	51	0.0	-69.81	382.66	7.32	-62.49
CC([NH2+]C(C)(C)CNC(=O)N(C)C(C)C(=O)[O-])C1=CC=CC=C1	REAL300012579569	0	50	0.0	-67.92	369.57	7.84	-60.08
CCCCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579570	0	56	0.0	-71.22	422.61	8.40	-62.82
CC([NH2+]C(C)(C)CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CC=C1	REAL300012579571	0	60	0.0	-56.92	458.95	12.43	-44.49
CC([NH2+]C(C)(C)CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=CC=C1	REAL300012579572	0	54	0.0	-77.26	395.46	9.30	-67.96
CC([NH2+]C(C)(C)CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CC=C1	REAL300012579573	0	57	0.0	-47.37	414.04	10.25	-37.12
COCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579574	0	51	0.0	-72.47	391.47	5.09	-67.38
CCCCCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579575	0	59	0.0	-71.17	444.11	9.17	-62.00
CCC1CCC(NC(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)(C(=O)[O-])CC1	REAL300012579576	0	63	0.0	-70.72	444.69	10.00	-60.72
CC([NH2+]C(C)(C)CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300012579577	0	58	0.0	-48.09	422.47	8.58	-39.51
CC([NH2+]C(C)(C)CNC(=O)N(C)C1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012579578	0	57	0.0	-74.88	407.23	9.93	-64.95
CC([NH2+]C(C)(C)CNC(=O)N(C(C)C(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012579579	0	54	0.0	-57.75	391.22	8.83	-48.92
CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C1CC1	REAL300012579580	0	57	0.0	-71.13	408.34	10.08	-61.05
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1=CC=CC=C1	REAL300012579581	0	54	0.0	-77.57	416.36	8.67	-68.90
CC([NH2+]C(C)(C)CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1=CC=CC=C1	REAL300012579582	0	58	0.0	-53.28	430.53	11.34	-41.94
CC([NH2+]C(C)(C)CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012579583	0	63	0.0	-71.41	460.39	10.15	-61.26
CC([NH2+]C(C)(C)CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)C1=CC=CC=C1	REAL300012579584	0	60	0.0	-48.74	445.01	12.21	-36.53
CC1=CC=C(C(NC(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012579585	0	57	0.0	-67.71	433.60	9.18	-58.53
CC([NH2+]C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012579586	0	50	0.0	-64.40	394.72	7.57	-56.83
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCSCC1)C1=CC=CC=C1	REAL300012579587	0	55	0.0	-71.60	403.30	8.41	-63.19
COCC(C)(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579588	0	54	0.0	-74.96	402.00	6.51	-68.45
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579589	0	57	0.0	-68.93	421.48	8.37	-60.56
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579590	0	56	0.0	-55.33	413.45	9.71	-45.62
CC([NH2+]C(C)(C)CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012579591	0	51	0.0	-54.47	376.29	8.81	-45.66
CC([NH2+]C(C)(C)CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1=CC=CC=C1	REAL300012579592	0	53	0.0	-56.83	417.18	9.79	-47.04
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CC=CC=C1	REAL300012579593	0	52	0.0	-66.76	381.63	5.06	-61.70
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CC=C1	REAL300012579594	0	60	0.0	-67.13	429.10	8.72	-58.41
CC([NH2+]C(C)(C)CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012579595	0	61	0.0	-65.99	449.44	9.70	-56.29
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300012579596	0	55	0.0	-74.92	397.05	6.25	-68.67
C=CCCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579597	0	54	0.0	-70.11	413.09	8.18	-61.93
CC([NH2+]C(C)(C)CNC(=O)NC(CF)C(=O)[O-])C1=CC=CC=C1	REAL300012579598	0	47	0.0	-58.70	361.25	5.86	-52.84
CC([NH2+]C(C)(C)CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300012579599	0	60	0.0	-36.93	446.33	12.69	-24.24
CC([NH2+]C(C)(C)CNC(=O)N(C)C(C)C(=O)[O-])C1=CC=CC=C1	REAL300012579600	0	50	0.0	-67.92	369.57	7.84	-60.08
CCC(CC)(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579601	0	56	0.0	-68.10	400.13	8.11	-59.99
COC1=CC=C(C(NC(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012579602	0	58	0.0	-67.24	441.47	7.89	-59.35
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579603	0	56	0.0	-54.81	409.44	10.17	-44.64
CCC(COC)(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579604	0	57	0.0	-76.61	418.67	7.40	-69.21
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579605	0	60	0.0	-69.07	441.36	8.99	-60.08
CC([NH2+]C(C)(C)CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC=C1	REAL300012579606	0	54	0.0	-71.36	407.88	8.37	-62.99
COCCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579607	0	54	0.0	-71.76	413.29	5.91	-65.85
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579608	0	59	0.0	-69.86	429.09	10.45	-59.41
CC([NH2+]C(C)(C)CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012579609	0	50	0.0	-70.94	391.14	7.14	-63.80
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579610	0	60	0.0	-81.80	426.82	10.88	-70.92
CCCN(C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012579611	0	56	0.0	-46.66	407.90	10.25	-36.41
CC([NH2+]C(C)(C)CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C1=CC=CC=C1	REAL300012579612	0	60	0.0	-69.32	446.20	12.33	-56.99
CCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012579613	0	60	0.0	-73.78	436.86	10.16	-63.62
CC([NH2+]C(C)(C)CNC(=O)NC(CCF)C(=O)[O-])C1=CC=CC=C1	REAL300012579614	0	50	0.0	-70.14	385.38	7.00	-63.14
COC1(CC(NC(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C(=O)[O-])CCC1	REAL300012579615	0	61	0.0	-69.97	447.71	7.86	-62.11
CC([NH2+]C(C)(C)CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300012579616	0	58	0.0	-48.09	422.47	8.58	-39.51
CC([NH2+]C(C)(C)CNC(=O)N(CC(=O)[O-])C1CCCCC1)C1=CC=CC=C1	REAL300012579617	0	60	0.0	-47.68	431.42	10.95	-36.73
CC([NH2+]C(C)(C)CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)C1=CC=CC=C1	REAL300012579618	0	60	0.0	-71.63	419.15	9.06	-62.57
COC1=CC=CC(C(NC(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C(=O)[O-])=C1	REAL300012579619	0	58	0.0	-70.59	441.77	7.90	-62.69
CC([NH2+]C(C)(C)CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CC=CC=C1	REAL300012579620	0	53	0.0	-67.78	390.35	7.36	-60.42
CC([NH2+]C(C)(C)CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1=CC=CC=C1	REAL300012579621	0	55	0.0	-59.86	412.17	9.41	-50.45
CC([NH2+]C(C)(C)CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579622	0	51	0.0	-69.24	388.78	8.58	-60.66
COC1=CC=CC([C@H](NC(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C(=O)[O-])=C1	REAL300012579623	0	58	0.0	-73.41	441.74	7.90	-65.51
CC([NH2+]C(C)(C)CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300012579624	0	50	0.0	-66.26	367.12	7.61	-58.65
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1=CC=CC=C1	REAL300012579625	0	63	0.0	-73.76	437.48	9.97	-63.79
CC([NH2+]C(C)(C)CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC=CC=C1	REAL300012579626	0	52	0.0	-82.51	384.97	9.34	-73.17
COC1CN(C(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C(C)(C(=O)[O-])C1	REAL300012579627	0	58	0.0	-71.84	425.18	7.88	-63.96
CC([NH2+]C(C)(C)CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300012579628	0	61	0.0	-66.19	447.26	7.44	-58.75
CC([NH2+]C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC=CC=C1	REAL300012579629	0	56	0.0	-71.14	408.81	7.97	-63.17
C=C(Cl)CC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579630	0	51	0.0	-71.46	408.05	7.92	-63.54
C=C(C)CC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579631	0	54	0.0	-71.37	413.50	8.05	-63.32
CC([NH2+]C(C)(C)CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CC=CC=C1	REAL300012579632	0	55	0.0	-84.69	397.37	9.88	-74.81
CC([NH2+]C(C)(C)CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579633	0	51	0.0	-71.43	388.01	8.89	-62.54
CC([NH2+]C(C)(C)CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579634	0	51	0.0	-75.79	381.53	8.82	-66.97
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C1	REAL300012579635	0	52	0.0	-77.69	389.24	8.82	-68.87
CC([NH2+]C(C)(C)CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012579636	0	61	0.0	-68.55	447.02	8.35	-60.20
CC(C)C[C@H](NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579637	0	56	0.0	-70.96	418.22	8.24	-62.72
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300012579638	0	58	0.0	-69.83	420.52	6.23	-63.60
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012579639	0	54	0.0	-71.76	411.94	8.59	-63.17
CC([NH2+]C(C)(C)CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC=C1	REAL300012579640	0	54	0.0	-71.36	407.88	8.37	-62.99
CC([NH2+]C(C)(C)CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300012579641	0	53	0.0	-68.01	421.27	6.69	-61.32
CC(C)CCCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579642	0	62	0.0	-71.26	461.68	9.69	-61.57
CC([NH2+]C(C)(C)CNC(=O)NC(CC1CCCO1)C(=O)[O-])C1=CC=CC=C1	REAL300012579643	0	58	0.0	-72.26	432.23	7.27	-64.99
CSCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579644	0	51	0.0	-67.03	402.41	7.29	-59.74
COC[C@H](NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579645	0	51	0.0	-71.57	391.15	5.11	-66.46
CC[C@H](NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579646	0	50	0.0	-70.41	378.94	6.91	-63.50
CCC(C)CC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579647	0	59	0.0	-70.98	435.71	8.81	-62.17
C=CCCCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579648	0	57	0.0	-69.90	434.59	8.96	-60.94
CC([NH2+]C(C)(C)CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CC=C1	REAL300012579649	0	52	0.0	-77.01	385.12	9.83	-67.18
CC([NH2+]C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012579650	0	57	0.0	-71.92	424.12	9.68	-62.24
CC([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579651	0	51	0.0	-74.78	379.65	8.47	-66.31
CCCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579652	0	53	0.0	-71.24	401.12	7.62	-63.62
CC(C)[C@@H](NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579653	0	53	0.0	-68.46	391.88	7.21	-61.25
CC([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CC=CC=C1	REAL300012579654	0	55	0.0	-83.64	397.34	10.04	-73.60
CCN(C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012579655	0	56	0.0	-70.18	404.21	9.61	-60.57
CCCN(C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012579656	0	56	0.0	-46.66	407.90	10.25	-36.41
CC([NH2+]C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CC=C1	REAL300012579657	0	50	0.0	-63.92	392.17	9.16	-54.76
CC([NH2+]C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CC=C1	REAL300012579658	0	50	0.0	-63.92	392.17	9.16	-54.76
CC([NH2+]C(C)(C)CNC(=O)N(C)C(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300012579659	0	53	0.0	-70.45	384.81	8.73	-61.72
CC([NH2+]C(C)(C)CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579660	0	51	0.0	-77.50	375.02	8.73	-68.77
CC([NH2+]C(C)(C)CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579661	0	52	0.0	-77.08	387.04	5.03	-72.05
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579662	0	58	0.0	-52.97	430.82	11.31	-41.66
CCC[C@@H](NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579663	0	53	0.0	-66.79	397.61	7.31	-59.48
CC([NH2+]C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012579664	0	54	0.0	-67.85	412.28	8.61	-59.24
CC([NH2+]C(C)(C)CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012579665	0	59	0.0	-73.43	455.81	8.96	-64.47
C=CCCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579666	0	54	0.0	-70.11	413.09	8.18	-61.93
CC([NH2+]C(C)(C)CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300012579667	0	53	0.0	-67.30	421.31	6.55	-60.75
CC([NH2+]C(C)(C)CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012579668	0	54	0.0	-88.47	405.69	6.26	-82.21
CC([NH2+]C(C)(C)CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012579669	0	55	0.0	-70.80	403.86	7.68	-63.12
CC([NH2+]C(C)(C)CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=CC=C1	REAL300012579670	0	54	0.0	-74.15	392.13	9.28	-64.87
CC(C)[C@H](NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579671	0	53	0.0	-71.07	388.80	6.86	-64.21
CC([NH2+]C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012579672	0	54	0.0	-70.54	415.30	8.97	-61.57
CC([NH2+]C(C)(C)CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1=CC=CC=C1	REAL300012579673	0	57	0.0	-70.65	421.71	7.95	-62.70
CC([NH2+]C(C)(C)CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300012579674	0	50	0.0	-66.26	367.12	7.61	-58.65
CCC[C@H](NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579675	0	53	0.0	-71.12	401.26	7.64	-63.48
CCN(C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012579676	0	53	0.0	-65.08	386.81	8.58	-56.50
CC([NH2+]C(C)(C)CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CC=C1	REAL300012579677	0	57	0.0	-47.37	414.04	10.25	-37.12
CC(CN(C)C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579678	0	53	0.0	-73.09	390.84	8.33	-64.76
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579679	0	56	0.0	-71.09	410.28	7.88	-63.21
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579680	0	53	0.0	-67.09	387.58	8.69	-58.40
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CC=CC=C1	REAL300012579681	0	55	0.0	-80.71	411.43	4.77	-75.94
CC([NH2+]C(C)(C)CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1=CC=CC=C1	REAL300012579682	0	63	0.0	-72.35	458.88	7.81	-64.54
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCC(C)C1)C1=CC=CC=C1	REAL300012579683	0	57	0.0	-71.90	415.83	8.61	-63.29
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1=CC=CC=C1	REAL300012579684	0	60	0.0	-72.30	423.70	9.23	-63.07
COCCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579685	0	54	0.0	-71.76	413.29	5.91	-65.85
CC([NH2+]C(C)(C)CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012579686	0	60	0.0	-67.71	447.13	11.89	-55.82
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CC=CC=C1	REAL300012579687	0	57	0.0	-76.92	413.43	8.95	-67.97
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=CC=C1	REAL300012579688	0	54	0.0	-69.30	401.22	8.22	-61.08
CC([NH2+]C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1=CC=CC=C1	REAL300012579689	0	63	0.0	-67.56	460.20	7.74	-59.82
CC([NH2+]C(C)(C)CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579690	0	52	0.0	-80.20	389.58	5.27	-74.93
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CC=CC=C1	REAL300012579691	0	55	0.0	-69.62	414.30	6.01	-63.61
CC([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CC=CC=C1	REAL300012579692	0	55	0.0	-81.48	400.75	9.85	-71.63
CC([NH2+]C(C)(C)CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CC=CC=C1	REAL300012579693	0	53	0.0	-77.37	392.19	7.60	-69.77
CC([NH2+]C(C)(C)CNC(=O)N1CC(C)CCC1C(=O)[O-])C1=CC=CC=C1	REAL300012579694	0	57	0.0	-79.58	409.71	10.74	-68.84
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)C1=CC=CC=C1	REAL300012579695	0	60	0.0	-67.20	453.74	10.22	-56.98
CC([NH2+]C(C)(C)CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012579696	0	61	0.0	-66.54	444.10	10.42	-56.12
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC=C1	REAL300012579697	0	54	0.0	-73.35	396.69	7.34	-66.01
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CC=C1	REAL300012579698	0	60	0.0	-67.13	429.10	8.72	-58.41
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC=C1	REAL300012579699	0	54	0.0	-73.35	396.69	7.34	-66.01
CC([NH2+]C(C)(C)CNC(=O)N1CCC(C)C1C(=O)[O-])C1=CC=CC=C1	REAL300012579700	0	54	0.0	-78.96	396.40	9.02	-69.94
C=CCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579701	0	51	0.0	-69.82	392.10	7.30	-62.52
CC([NH2+]C(C)(C)CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=CC=C1	REAL300012579702	0	61	0.0	-75.24	450.48	8.01	-67.23
CC([NH2+]C(C)(C)CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1=CC=CC=C1	REAL300012579703	0	61	0.0	-37.94	422.14	10.20	-27.74
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1=CC=CC=C1	REAL300012579704	0	61	0.0	-71.79	425.67	7.55	-64.24
CC([NH2+]C(C)(C)CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579705	0	55	0.0	-40.83	401.66	9.80	-31.03
CC([NH2+]C(C)(C)CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012579706	0	61	0.0	-66.54	444.10	10.42	-56.12
COC1CC(NC(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)(C(=O)[O-])C1	REAL300012579707	0	55	0.0	-71.36	412.50	6.46	-64.90
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1=CC=CC=C1	REAL300012579708	0	51	0.0	-71.34	385.66	7.28	-64.06
CO[C@H]1C[C@](NC(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)(C(=O)[O-])C1	REAL300012579709	0	55	0.0	-69.01	408.87	6.41	-62.60
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579710	0	57	0.0	-72.38	407.77	10.08	-62.30
CC([NH2+]C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012579711	0	50	0.0	-64.40	394.72	7.57	-56.83
CC([NH2+]C(C)(C)CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300012579712	0	58	0.0	-68.42	434.65	6.95	-61.47
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])COC1)C1=CC=CC=C1	REAL300012579713	0	49	0.0	-69.33	368.20	4.27	-65.06
CC([NH2+]C(C)(C)CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300012579714	0	54	0.0	-65.27	426.49	8.61	-56.66
CC(C)C(C)(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579715	0	56	0.0	-71.28	398.68	7.84	-63.44
CC([NH2+]C(C)(C)CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579716	0	52	0.0	-80.67	386.74	9.94	-70.73
CC([NH2+]C(C)(C)CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579717	0	55	0.0	-74.02	398.32	9.14	-64.88
CC([NH2+]C(C)(C)CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C1=CC=CC=C1	REAL300012579718	0	60	0.0	-69.32	446.20	12.33	-56.99
CC([NH2+]C(C)(C)CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012579719	0	63	0.0	-71.41	460.39	10.15	-61.26
CC([NH2+]C(C)(C)CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012579720	0	60	0.0	-71.77	460.33	10.68	-61.09
CC([NH2+]C(C)(C)CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012579721	0	60	0.0	-68.23	457.51	10.33	-57.90
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1=CC=CC=C1	REAL300012579722	0	61	0.0	-73.04	437.36	9.30	-63.74
CC([NH2+]C(C)(C)CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012579723	0	63	0.0	-68.08	460.43	10.19	-57.89
CC([NH2+]C(C)(C)CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012579724	0	63	0.0	-71.64	455.69	9.81	-61.83
CC([NH2+]C(C)(C)CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012579725	0	61	0.0	-47.24	441.18	10.71	-36.53
CC([NH2+]C(C)(C)CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579726	0	61	0.0	-75.00	432.33	10.11	-64.89
C=CCSCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579727	0	55	0.0	-66.92	436.68	8.74	-58.18
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579728	0	56	0.0	-69.60	406.53	10.30	-59.30
COC1(C(NC(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C(=O)[O-])CCC1	REAL300012579729	0	58	0.0	-67.79	423.17	6.45	-61.34
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1=CC=CC=C1	REAL300012579730	0	54	0.0	-71.46	414.84	8.49	-62.97
CC([NH2+]C(C)(C)CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579732	0	51	0.0	-75.79	381.53	8.82	-66.97
CC([NH2+]C(C)(C)CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CC=CC=C1	REAL300012579733	0	53	0.0	-49.47	391.11	9.55	-39.92
CC([NH2+]C(C)(C)CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CC=CC=C1	REAL300012579734	0	57	0.0	-76.30	414.65	9.44	-66.86
CC([NH2+]C(C)(C)CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1=CC=CC=C1	REAL300012579735	0	61	0.0	-78.24	431.78	11.33	-66.91
CC(C)CCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579736	0	59	0.0	-70.67	439.35	8.92	-61.75
CC([NH2+]C(C)(C)CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012579737	0	58	0.0	-40.87	425.40	10.27	-30.60
CC([NH2+]C(C)(C)CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300012579738	0	58	0.0	-68.42	434.65	6.95	-61.47
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C1	REAL300012579739	0	55	0.0	-75.73	422.15	9.97	-65.76
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1=CC=CC=C1	REAL300012579740	0	58	0.0	-71.11	414.35	9.41	-61.70
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CC=CC=C1	REAL300012579741	0	55	0.0	-77.04	398.77	8.77	-68.27
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1=CC=CC=C1	REAL300012579742	0	58	0.0	-74.54	419.92	9.17	-65.37
CC([NH2+]C(C)(C)CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012579743	0	60	0.0	-66.94	445.07	11.52	-55.42
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CC=CC=C1	REAL300012579744	0	57	0.0	-73.30	412.50	7.93	-65.37
CO[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579745	0	54	0.0	-71.65	406.11	5.78	-65.87
CC([NH2+]C(C)(C)CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)C1=CC=CC=C1	REAL300012579746	0	54	0.0	-73.83	399.31	8.21	-65.62
CC([NH2+]C(C)(C)CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012579747	0	57	0.0	-55.38	436.55	11.66	-43.72
CC([NH2+]C(C)(C)CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012579748	0	57	0.0	-41.03	418.38	9.57	-31.46
CC([NH2+]C(C)(C)CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012579749	0	54	0.0	-76.79	398.49	9.87	-66.92
CC([NH2+]C(C)(C)CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1=CC=CC=C1	REAL300012579750	0	51	0.0	-82.45	390.20	8.92	-73.53
CC([NH2+]C(C)(C)CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012579751	0	54	0.0	-68.34	429.03	8.81	-59.53
CC([NH2+]C(C)(C)CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1=CC=CC=C1	REAL300012579752	0	54	0.0	-71.49	403.98	9.02	-62.47
CC([NH2+]C(C)(C)CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012579753	0	54	0.0	-68.34	429.03	8.81	-59.53
CC([NH2+]C(C)(C)CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579754	0	58	0.0	-77.14	417.46	10.15	-66.99
COCCCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579755	0	57	0.0	-69.54	433.95	6.69	-62.85
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300012579756	0	56	0.0	-68.85	411.49	9.76	-59.09
CCOCC(NC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012579757	0	54	0.0	-72.26	412.84	6.05	-66.21
CC([NH2+]C(C)(C)CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300012579758	0	59	0.0	-68.58	429.91	9.22	-59.36
CC([NH2+]C(C)(C)CNC(=O)NC(C(=O)[O-])C1CCCCO1)C1=CC=CC=C1	REAL300012579759	0	58	0.0	-73.91	431.00	7.43	-66.48
CC([NH2+]C(C)(C)CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=CC=C1	REAL300012579760	0	58	0.0	-70.24	433.88	10.13	-60.11
CC([NH2+]C(C)(C)CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012579761	0	55	0.0	-76.55	398.10	7.80	-68.75
CC([NH2+]C(C)(C)CNC(=O)NC(CCC#N)C(=O)[O-])C1=CC=CC=C1	REAL300012579762	0	51	0.0	-74.10	400.47	7.35	-66.75
CC([NH2+]C(C)(C)CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1=CC=CC=C1	REAL300012579763	0	54	0.0	-48.76	409.02	9.15	-39.61
CC([NH2+]C(C)(C)CNC(=O)N(C)[C@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300012579764	0	50	0.0	-64.69	369.71	7.87	-56.82
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C1	REAL300012579765	0	58	0.0	-77.13	430.16	8.69	-68.44
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC(CO)=C2)CC1	REAL300012579892	0	54	0.0	-65.29	423.99	4.74	-60.55
CC(C)C[C@H](NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580011	0	60	0.0	-81.59	461.02	8.44	-73.15
C=CC(C)C(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580012	0	58	0.0	-82.69	447.90	7.98	-74.71
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580013	0	57	0.0	-68.09	441.75	9.67	-58.42
CC(C)C(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580014	0	57	0.0	-81.94	434.43	7.43	-74.51
O=C([O-])C1CCCCN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580015	0	58	0.0	-91.72	432.41	10.29	-81.43
O=C([O-])C1CCCN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580016	0	55	0.0	-87.47	421.08	9.01	-78.46
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCCC1	REAL300012580017	0	58	0.0	-85.24	437.33	8.22	-77.02
O=C([O-])CNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580018	0	48	0.0	-71.46	379.71	5.25	-66.21
CCC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580019	0	54	0.0	-81.31	422.33	7.11	-74.20
CC(C)C(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580020	0	57	0.0	-81.94	434.43	7.43	-74.51
CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580021	0	51	0.0	-80.84	398.44	7.93	-72.91
CC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580022	0	51	0.0	-71.79	400.33	6.11	-65.68
CCC(C)C(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580023	0	60	0.0	-81.12	451.91	8.04	-73.08
CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580024	0	51	0.0	-80.84	398.44	7.93	-72.91
O=C([O-])C1CCCCN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580025	0	58	0.0	-91.72	432.41	10.29	-81.43
CCCC(C)(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580026	0	60	0.0	-81.42	447.96	8.24	-73.18
CC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580027	0	57	0.0	-68.99	430.37	9.21	-59.78
O=C([O-])CN(C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CC1	REAL300012580028	0	55	0.0	-69.27	423.51	9.45	-59.82
C=CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580029	0	55	0.0	-67.89	433.07	9.48	-58.41
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580030	0	60	0.0	-67.46	456.17	9.98	-57.48
CC(C)(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580031	0	54	0.0	-70.38	413.07	6.48	-63.90
CC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)(C(=O)[O-])C1CC1	REAL300012580032	0	58	0.0	-83.17	435.96	8.23	-74.94
CC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580033	0	57	0.0	-68.99	430.37	9.21	-59.78
CCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580034	0	57	0.0	-68.09	441.75	9.67	-58.42
CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580035	0	54	0.0	-81.06	420.25	8.91	-72.15
CC[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580036	0	60	0.0	-81.60	452.84	8.12	-73.48
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCCC1	REAL300012580037	0	58	0.0	-85.24	437.33	8.22	-77.02
CCC(C)(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580038	0	57	0.0	-81.12	426.46	7.48	-73.64
C[C@H](NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580039	0	51	0.0	-71.96	400.49	6.08	-65.88
CCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580040	0	54	0.0	-81.06	420.25	8.91	-72.15
C[C@@H](NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580041	0	51	0.0	-72.06	400.50	6.08	-65.98
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC1	REAL300012580042	0	52	0.0	-86.93	406.64	7.31	-79.62
O=C([O-])C1COCCN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580043	0	56	0.0	-88.08	423.58	7.62	-80.46
O=C([O-])C(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CC1	REAL300012580044	0	55	0.0	-82.08	426.56	7.58	-74.50
COCCN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580045	0	58	0.0	-68.76	451.63	8.10	-60.66
O=C([O-])[C@H]1CCCN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580046	0	55	0.0	-88.33	421.33	8.68	-79.65
O=C([O-])[C@H]1CCCCN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580047	0	58	0.0	-90.39	431.94	10.04	-80.35
C[C@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580048	0	54	0.0	-77.90	412.30	8.01	-69.89
O=C([O-])[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580049	0	55	0.0	-87.48	421.07	9.02	-78.46
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCC1	REAL300012580050	0	55	0.0	-86.04	423.57	7.80	-78.24
C=CCC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580051	0	55	0.0	-80.27	434.81	7.56	-72.71
CC1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580052	0	58	0.0	-87.36	438.16	9.56	-77.80
O=C([O-])C(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CC1	REAL300012580053	0	55	0.0	-82.08	426.56	7.58	-74.50
CC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580054	0	54	0.0	-77.41	412.28	8.11	-69.30
CCCCC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580055	0	60	0.0	-81.15	465.32	8.66	-72.49
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580056	0	58	0.0	-87.32	438.23	9.56	-77.76
COCC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580057	0	55	0.0	-82.39	433.70	5.33	-77.06
CC(C(=O)[O-])N(C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CC1	REAL300012580058	0	58	0.0	-70.34	438.65	9.63	-60.71
COCC(C)(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580059	0	58	0.0	-85.46	444.71	6.77	-78.69
CC(C)CN(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580060	0	60	0.0	-67.46	456.17	9.98	-57.48
O=C([O-])CN(C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CC1	REAL300012580061	0	55	0.0	-69.27	423.51	9.45	-59.82
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCOC1	REAL300012580062	0	56	0.0	-80.98	427.84	5.63	-75.35
C=CCCC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580063	0	58	0.0	-80.30	455.80	8.44	-71.86
O=C([O-])C(CF)NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580064	0	51	0.0	-69.73	404.11	6.10	-63.63
CC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580065	0	54	0.0	-77.41	412.28	8.11	-69.30
CCC(CC)(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580066	0	60	0.0	-82.58	442.85	8.37	-74.21
CCC(C)N(CC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580067	0	60	0.0	-66.23	453.56	10.36	-55.87
O=C([O-])C(CC1CC1)NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580068	0	58	0.0	-81.21	453.93	8.67	-72.54
COCCC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580069	0	58	0.0	-80.78	455.17	6.18	-74.60
CCCN(C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(C)C(=O)[O-]	REAL300012580070	0	60	0.0	-63.16	452.42	10.55	-52.61
O=C([O-])C(CCF)NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580071	0	54	0.0	-79.35	428.08	7.27	-72.08
CC(CCF)(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580072	0	57	0.0	-78.10	433.05	7.62	-70.48
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580073	0	54	0.0	-77.01	413.35	8.18	-68.83
O=C([O-])C12CC(C1)CN2C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580074	0	56	0.0	-93.11	428.39	9.66	-83.45
CC(C)(C)[C@H](NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580075	0	60	0.0	-82.58	453.12	8.22	-74.36
C=C(C)CC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580076	0	58	0.0	-81.28	456.17	8.30	-72.98
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580077	0	55	0.0	-84.97	427.07	9.07	-75.90
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300012580078	0	56	0.0	-87.78	435.27	9.10	-78.68
CC(C)C[C@H](NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580079	0	60	0.0	-81.59	461.02	8.44	-73.15
O=C([O-])C(CC1CC1)NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580080	0	58	0.0	-81.21	453.93	8.67	-72.54
CSCC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580081	0	55	0.0	-78.32	445.12	7.55	-70.77
COC[C@H](NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580082	0	55	0.0	-82.85	434.18	5.36	-77.49
CC[C@H](NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580083	0	54	0.0	-81.31	422.33	7.12	-74.19
O=C([O-])[C@H]1CCCN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580084	0	55	0.0	-88.33	421.33	8.68	-79.65
CCCC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580085	0	57	0.0	-81.25	443.82	7.88	-73.37
CC(C)[C@@H](NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580086	0	57	0.0	-81.17	433.76	7.51	-73.66
CCN(C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(C)(C)C(=O)[O-]	REAL300012580087	0	60	0.0	-84.63	447.05	9.89	-74.74
CCCN(C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(C)C(=O)[O-]	REAL300012580088	0	60	0.0	-63.16	452.42	10.55	-52.61
CN(C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(C)(C)C(=O)[O-]	REAL300012580089	0	57	0.0	-84.71	427.56	9.00	-75.71
O=C([O-])[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580090	0	55	0.0	-87.48	421.07	9.02	-78.46
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580091	0	56	0.0	-89.86	433.10	5.32	-84.54
CCC[C@@H](NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580092	0	57	0.0	-81.09	443.58	7.93	-73.16
C=CCCC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580093	0	58	0.0	-80.30	455.80	8.44	-71.86
C[C@]1(C(=O)[O-])CCCN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580094	0	58	0.0	-87.61	437.67	9.54	-78.07
CC(C)[C@H](NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580095	0	57	0.0	-79.98	436.50	7.65	-72.33
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580096	0	54	0.0	-77.01	413.35	8.18	-68.83
CCC[C@H](NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580097	0	57	0.0	-81.30	443.83	7.89	-73.41
CCN(C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(C)C(=O)[O-]	REAL300012580098	0	57	0.0	-82.74	433.24	9.67	-73.07
CC(CN(C)C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580099	0	57	0.0	-81.15	433.55	8.60	-72.55
CC[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580100	0	60	0.0	-81.60	452.84	8.12	-73.48
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580101	0	57	0.0	-77.42	433.79	9.25	-68.17
COCCC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580102	0	58	0.0	-80.78	455.17	6.18	-74.60
CC1(C(NC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C(=O)[O-])CC1	REAL300012580103	0	58	0.0	-84.10	445.93	8.47	-75.63
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580104	0	56	0.0	-94.06	431.78	5.50	-88.56
O=C([O-])C(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CCC1	REAL300012580105	0	58	0.0	-81.87	441.99	8.07	-73.80
O=C([O-])C(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1CCC1	REAL300012580106	0	58	0.0	-81.87	441.99	8.07	-73.80
CC1CCN(C(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1C(=O)[O-]	REAL300012580107	0	58	0.0	-88.79	437.26	9.18	-79.61
C=CCC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580108	0	55	0.0	-80.27	434.81	7.56	-72.71
O=C([O-])C1(NC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)COC1	REAL300012580109	0	53	0.0	-80.01	414.28	4.86	-75.15
CC(C)C(C)(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580110	0	60	0.0	-82.00	441.39	8.10	-73.90
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580111	0	56	0.0	-90.93	427.15	10.14	-80.79
CCC(C(=O)[O-])N(CC)C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580112	0	60	0.0	-83.84	449.05	10.55	-73.29
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580113	0	55	0.0	-84.97	427.07	9.07	-75.90
CO[C@H](C)[C@H](NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580114	0	58	0.0	-82.57	452.33	6.36	-76.21
CC1[C@@H](C)[C@@]1(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580115	0	58	0.0	-88.30	445.33	8.85	-79.45
CCCC(C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580116	0	60	0.0	-78.08	454.21	10.02	-68.06
CCOCC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580117	0	58	0.0	-83.17	456.04	6.33	-76.84
N#CCCC(NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300012580118	0	55	0.0	-82.12	443.18	7.61	-74.51
C[C@H](C(=O)[O-])N(C)C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300012580119	0	54	0.0	-77.90	412.30	8.01	-69.89
CC(C)C1CCCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012580248	0	62	0.0	-63.65	444.99	9.25	-54.40
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580367	0	56	0.0	-79.09	430.22	7.84	-71.25
C=CCOCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580368	0	55	0.0	-79.01	437.67	6.31	-72.70
C=CC(C)C(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580369	0	54	0.0	-79.45	417.77	7.40	-72.05
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012580370	0	58	0.0	-64.99	439.62	6.58	-58.41
COC1CCN(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)C(C(=O)[O-])C1	REAL300012580371	0	58	0.0	-84.10	432.27	8.83	-75.27
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012580372	0	58	0.0	-64.27	436.03	6.32	-57.95
CC1CCN(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)C(C(=O)[O-])C1	REAL300012580373	0	57	0.0	-84.92	422.47	10.30	-74.62
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580374	0	53	0.0	-67.73	410.98	9.09	-58.64
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C1CCC1	REAL300012580375	0	57	0.0	-67.13	411.25	9.90	-57.23
CCCN(C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(COC)C(=O)[O-]	REAL300012580376	0	60	0.0	-63.54	448.79	8.67	-54.87
CCCN(C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(CC)C(=O)[O-]	REAL300012580377	0	59	0.0	-77.15	435.97	10.07	-67.08
CC(C)C(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580378	0	53	0.0	-65.54	403.66	6.86	-58.68
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012580379	0	54	0.0	-84.66	401.64	9.71	-74.95
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012580380	0	52	0.0	-81.05	401.21	9.44	-71.61
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012580381	0	57	0.0	-69.94	421.07	8.72	-61.22
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012580382	0	51	0.0	-84.71	390.32	8.42	-76.29
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012580383	0	54	0.0	-70.26	406.56	7.62	-62.64
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012580384	0	60	0.0	-70.58	426.73	9.39	-61.19
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012580385	0	57	0.0	-66.19	449.74	9.61	-56.58
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012580386	0	57	0.0	-68.00	448.48	11.35	-56.65
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC(=O)[O-])CC1	REAL300012580387	0	44	0.0	-60.65	348.93	4.68	-55.97
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012580388	0	54	0.0	-67.58	427.74	8.58	-59.00
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012580389	0	54	0.0	-67.61	427.72	8.60	-59.01
CCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580390	0	50	0.0	-77.77	391.54	6.53	-71.24
CC(C)C(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580391	0	53	0.0	-65.54	403.66	6.86	-58.68
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580392	0	47	0.0	-64.66	367.67	7.36	-57.30
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012580393	0	57	0.0	-66.19	449.74	9.61	-56.58
CC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580394	0	47	0.0	-63.83	369.72	5.51	-58.32
CCC(C)C(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580395	0	56	0.0	-65.21	421.49	7.56	-57.65
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580396	0	47	0.0	-64.66	367.67	7.36	-57.30
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012580397	0	54	0.0	-84.66	401.64	9.71	-74.95
CCCC(C)(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580398	0	56	0.0	-66.76	417.18	7.67	-59.09
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580399	0	53	0.0	-67.73	401.38	8.74	-58.99
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012580400	0	51	0.0	-64.69	394.42	8.74	-55.95
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580401	0	51	0.0	-67.36	402.29	8.90	-58.46
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580402	0	56	0.0	-67.64	425.39	9.39	-58.25
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012580403	0	50	0.0	-59.78	382.29	5.89	-53.89
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012580404	0	54	0.0	-68.02	405.18	7.63	-60.39
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012580405	0	51	0.0	-65.43	419.34	7.68	-57.75
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012580406	0	57	0.0	-69.94	421.07	8.72	-61.22
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580407	0	53	0.0	-67.73	401.38	8.74	-58.99
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580408	0	53	0.0	-67.73	410.98	9.09	-58.64
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580409	0	50	0.0	-64.72	389.48	8.35	-56.37
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580410	0	56	0.0	-78.56	422.08	7.52	-71.04
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012580411	0	54	0.0	-70.26	406.56	7.62	-62.64
CCC(C)(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580412	0	53	0.0	-66.51	395.68	6.91	-59.60
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012580413	0	57	0.0	-69.53	435.51	9.36	-60.17
C[C@H](NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580414	0	47	0.0	-63.83	369.73	5.48	-58.35
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580415	0	50	0.0	-64.72	389.48	8.35	-56.37
C[C@@H](NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580416	0	47	0.0	-58.94	369.72	5.49	-53.45
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012580417	0	48	0.0	-82.41	375.89	6.71	-75.70
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012580418	0	52	0.0	-79.84	392.43	7.00	-72.84
CN(C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C1(C(=O)[O-])CCCCC1	REAL300012580419	0	60	0.0	-70.34	430.33	10.05	-60.29
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012580420	0	51	0.0	-77.28	398.47	6.99	-70.29
CN(C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012580421	0	57	0.0	-65.19	434.65	10.17	-55.02
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580422	0	54	0.0	-68.13	420.86	7.51	-60.62
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012580423	0	51	0.0	-72.80	391.07	8.11	-64.69
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012580424	0	54	0.0	-82.49	401.07	9.48	-73.01
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580425	0	50	0.0	-61.74	381.54	7.43	-54.31
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012580426	0	51	0.0	-84.72	390.30	8.43	-76.29
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012580427	0	51	0.0	-72.33	392.68	7.22	-65.11
C=CCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580428	0	51	0.0	-77.49	404.03	6.99	-70.50
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012580429	0	54	0.0	-71.78	407.45	8.97	-62.81
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012580430	0	57	0.0	-88.72	414.46	10.08	-78.64
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012580431	0	51	0.0	-77.28	398.47	6.99	-70.29
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580432	0	50	0.0	-61.25	382.57	7.60	-53.65
CCCCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580433	0	56	0.0	-64.62	434.31	8.14	-56.48
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012580434	0	54	0.0	-85.98	407.41	8.97	-77.01
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012580435	0	57	0.0	-44.99	418.85	9.65	-35.34
COCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580436	0	51	0.0	-65.80	403.27	4.82	-60.98
CCCCCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580437	0	59	0.0	-78.02	455.21	8.87	-69.15
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012580438	0	58	0.0	-68.19	434.27	8.24	-59.95
CN(C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C1(C(=O)[O-])CCCC1	REAL300012580439	0	57	0.0	-87.43	417.00	9.33	-78.10
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C1CC1	REAL300012580440	0	54	0.0	-61.03	400.35	8.61	-52.42
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C1CC1	REAL300012580441	0	57	0.0	-69.92	423.06	9.75	-60.17
CC1=CC=C(C(NC(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012580442	0	57	0.0	-77.22	448.49	9.30	-67.92
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012580443	0	50	0.0	-70.20	407.48	7.23	-62.97
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012580444	0	55	0.0	-66.64	418.76	8.43	-58.21
COCC(C)(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580445	0	54	0.0	-82.65	413.93	6.18	-76.47
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580446	0	57	0.0	-62.86	433.93	7.85	-55.01
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580447	0	56	0.0	-67.64	425.39	9.39	-58.25
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012580448	0	51	0.0	-64.69	394.42	8.74	-55.95
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012580449	0	52	0.0	-76.47	397.19	5.02	-71.45
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012580450	0	60	0.0	-66.95	445.29	8.73	-58.22
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012580451	0	55	0.0	-69.25	412.49	6.23	-63.02
C=CCCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580452	0	54	0.0	-76.99	425.85	7.85	-69.14
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012580453	0	47	0.0	-57.55	373.36	5.52	-52.03
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580454	0	50	0.0	-61.25	382.57	7.60	-53.65
CCC(CC)(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580455	0	56	0.0	-67.55	412.06	7.79	-59.76
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580456	0	56	0.0	-66.98	422.58	9.84	-57.14
CCC(COC)(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580457	0	57	0.0	-71.70	430.37	7.11	-64.59
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580458	0	60	0.0	-75.44	454.46	8.75	-66.69
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012580459	0	54	0.0	-64.68	423.43	8.01	-56.67
COCCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580460	0	54	0.0	-78.38	424.39	5.60	-72.78
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580461	0	59	0.0	-62.28	442.28	10.07	-52.21
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012580462	0	50	0.0	-71.78	401.33	7.07	-64.71
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580463	0	60	0.0	-90.52	442.09	10.92	-79.60
CCCN(C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012580464	0	56	0.0	-65.81	417.78	9.86	-55.95
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012580465	0	50	0.0	-76.25	398.13	6.67	-69.58
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012580466	0	58	0.0	-68.19	434.27	8.24	-59.95
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012580467	0	60	0.0	-46.13	443.22	10.60	-35.53
C[C@H]1CC[C@@](NC(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)(C(=O)[O-])CC1	REAL300012580468	0	60	0.0	-85.51	434.88	9.11	-76.40
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012580469	0	53	0.0	-63.40	402.27	7.05	-56.35
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012580470	0	55	0.0	-68.24	425.36	9.22	-59.02
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012580471	0	51	0.0	-66.71	404.07	8.27	-58.44
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580472	0	50	0.0	-72.57	381.66	7.58	-64.99
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012580473	0	52	0.0	-85.61	397.57	9.05	-76.56
COC1CN(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)C(C)(C(=O)[O-])C1	REAL300012580474	0	58	0.0	-70.42	440.22	8.01	-62.41
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012580475	0	56	0.0	-79.76	422.35	7.62	-72.14
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580476	0	51	0.0	-61.43	419.78	7.72	-53.71
C=C(C)CC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580477	0	54	0.0	-65.02	424.46	7.90	-57.12
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012580478	0	55	0.0	-88.76	412.41	9.88	-78.88
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012580479	0	51	0.0	-75.40	403.29	8.59	-66.81
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012580480	0	51	0.0	-83.01	397.53	8.23	-74.78
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)C1	REAL300012580481	0	52	0.0	-84.75	404.50	8.49	-76.26
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580482	0	56	0.0	-79.09	430.22	7.84	-71.25
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012580483	0	58	0.0	-64.99	439.62	6.58	-58.41
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012580484	0	54	0.0	-67.61	427.72	8.60	-59.01
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012580485	0	54	0.0	-64.68	423.43	8.01	-56.67
CC(C)CCCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580486	0	62	0.0	-78.70	473.61	9.36	-69.34
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012580487	0	58	0.0	-70.14	447.74	6.90	-63.24
CSCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580488	0	51	0.0	-63.38	415.01	6.95	-56.43
COC[C@H](NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580489	0	51	0.0	-79.24	403.42	4.76	-74.48
CC[C@H](NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580490	0	50	0.0	-77.47	390.73	6.51	-70.96
CCC(C)CC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580491	0	59	0.0	-65.76	448.61	8.48	-57.28
C=CCCCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580492	0	57	0.0	-65.22	447.36	8.64	-56.58
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012580493	0	52	0.0	-81.05	401.21	9.44	-71.61
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012580494	0	57	0.0	-69.53	435.51	9.36	-60.17
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012580495	0	51	0.0	-72.80	391.07	8.11	-64.69
CCCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580496	0	53	0.0	-77.67	412.21	7.31	-70.36
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580497	0	53	0.0	-65.54	408.59	7.09	-58.45
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012580498	0	55	0.0	-86.54	411.81	9.99	-76.55
CCN(C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(C)(C)C(=O)[O-]	REAL300012580499	0	56	0.0	-69.88	416.22	9.28	-60.60
CCCN(C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012580500	0	56	0.0	-65.81	417.78	9.86	-55.95
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012580501	0	50	0.0	-62.12	404.10	8.84	-53.28
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012580502	0	50	0.0	-62.12	404.10	8.84	-53.28
CN(C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(C)(C)C(=O)[O-]	REAL300012580503	0	53	0.0	-69.83	396.78	8.40	-61.43
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012580504	0	51	0.0	-84.72	390.30	8.43	-76.29
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012580505	0	52	0.0	-73.33	402.33	4.74	-68.59
CCC[C@@H](NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580506	0	53	0.0	-65.27	413.06	7.27	-58.00
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012580507	0	54	0.0	-67.58	427.74	8.58	-59.00
C=CCCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580508	0	54	0.0	-76.99	425.85	7.85	-69.14
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)CC1=O	REAL300012580509	0	55	0.0	-72.94	418.35	7.70	-65.24
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012580510	0	54	0.0	-71.76	407.40	8.97	-62.79
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580511	0	53	0.0	-78.18	404.25	6.82	-71.36
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012580512	0	54	0.0	-77.13	427.09	8.60	-68.53
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580513	0	50	0.0	-72.57	381.66	7.58	-64.99
CCC[C@H](NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580514	0	53	0.0	-78.03	413.06	7.27	-70.76
CCN(C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012580515	0	53	0.0	-75.23	397.99	8.36	-66.87
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012580516	0	57	0.0	-44.99	418.85	9.65	-35.34
CC(CN(C)C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580517	0	53	0.0	-70.86	401.90	7.99	-62.87
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580518	0	56	0.0	-78.56	422.08	7.52	-71.04
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580519	0	53	0.0	-73.48	403.04	8.66	-64.82
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012580520	0	55	0.0	-73.34	424.95	4.49	-68.85
CC1CCC(NC(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012580521	0	57	0.0	-70.78	427.62	8.25	-62.53
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012580522	0	60	0.0	-84.89	437.08	8.98	-75.91
COCCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580523	0	54	0.0	-78.38	424.39	5.60	-72.78
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012580524	0	57	0.0	-72.75	429.10	8.95	-63.80
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012580525	0	54	0.0	-67.16	415.17	7.87	-59.29
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012580526	0	52	0.0	-77.51	401.05	4.87	-72.64
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012580527	0	55	0.0	-75.12	424.28	5.66	-69.46
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012580528	0	55	0.0	-89.66	412.00	9.58	-80.08
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012580529	0	53	0.0	-79.45	404.95	7.24	-72.21
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)C1	REAL300012580530	0	57	0.0	-84.22	422.56	10.30	-73.92
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012580531	0	54	0.0	-65.15	416.42	7.56	-57.59
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012580532	0	60	0.0	-66.95	445.29	8.73	-58.22
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012580533	0	54	0.0	-65.15	416.42	7.56	-57.59
CC1CCN(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)C1C(=O)[O-]	REAL300012580534	0	54	0.0	-73.41	406.49	8.59	-64.82
C=CCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580535	0	51	0.0	-77.49	404.03	6.99	-70.50
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012580536	0	55	0.0	-44.22	406.46	9.16	-35.06
COC1CC(NC(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012580537	0	55	0.0	-74.23	426.14	6.17	-68.06
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012580538	0	51	0.0	-70.54	401.10	7.26	-63.28
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012580539	0	55	0.0	-81.31	424.61	6.49	-74.82
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580540	0	57	0.0	-71.97	423.22	10.11	-61.86
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012580541	0	50	0.0	-70.20	407.48	7.23	-62.97
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012580542	0	58	0.0	-80.51	446.40	6.58	-73.93
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012580543	0	49	0.0	-66.94	383.50	4.27	-62.67
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580544	0	56	0.0	-79.84	410.61	7.52	-72.32
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012580545	0	52	0.0	-82.48	397.59	9.62	-72.86
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012580546	0	55	0.0	-74.40	413.77	9.05	-65.35
C=CCSCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580547	0	55	0.0	-74.29	449.29	8.40	-65.89
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580548	0	56	0.0	-62.00	415.75	9.24	-52.76
COC1(C(NC(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)C(=O)[O-])CCC1	REAL300012580549	0	58	0.0	-74.96	438.51	6.14	-68.82
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012580550	0	54	0.0	-73.64	424.53	8.05	-65.59
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012580552	0	51	0.0	-83.01	397.53	8.23	-74.78
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012580553	0	53	0.0	-68.05	406.40	9.24	-58.81
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012580554	0	57	0.0	-86.31	422.63	9.38	-76.93
CC(C)CCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580555	0	59	0.0	-78.69	452.11	8.59	-70.10
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012580556	0	58	0.0	-68.30	438.12	9.88	-58.42
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012580557	0	58	0.0	-80.51	446.40	6.58	-73.93
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)C1	REAL300012580558	0	55	0.0	-81.17	433.40	9.60	-71.57
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012580559	0	58	0.0	-69.76	429.62	9.12	-60.64
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012580560	0	55	0.0	-86.14	414.05	8.45	-77.69
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012580561	0	58	0.0	-71.00	435.30	8.84	-62.16
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012580562	0	57	0.0	-65.36	427.71	8.11	-57.25
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580563	0	54	0.0	-79.42	421.07	5.75	-73.67
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580564	0	54	0.0	-80.94	405.72	7.76	-73.18
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012580565	0	57	0.0	-68.00	448.48	11.35	-56.65
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012580566	0	57	0.0	-43.29	422.14	8.94	-34.35
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012580567	0	54	0.0	-80.38	412.48	9.53	-70.85
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012580568	0	51	0.0	-74.80	402.87	8.25	-66.55
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012580569	0	54	0.0	-75.97	419.49	9.10	-66.87
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012580570	0	58	0.0	-74.78	429.23	9.78	-65.00
COCCCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580571	0	57	0.0	-65.45	446.72	6.36	-59.09
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580572	0	56	0.0	-74.73	423.43	9.46	-65.27
CCOCC(NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012580573	0	54	0.0	-79.61	424.77	5.73	-73.88
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012580574	0	59	0.0	-65.00	442.14	8.97	-56.03
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012580575	0	58	0.0	-67.00	443.38	7.02	-59.98
C[C@H]1OCCN(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)[C@@H]1C(=O)[O-]	REAL300012580576	0	55	0.0	-82.09	413.01	8.01	-74.08
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012580577	0	51	0.0	-65.45	412.41	7.03	-58.42
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012580578	0	54	0.0	-68.39	430.14	9.47	-58.92
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300012580579	0	50	0.0	-61.74	381.54	7.43	-54.31
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)C1	REAL300012580580	0	58	0.0	-84.67	445.43	8.39	-76.28
C=CCOCC(NC(=O)NC1CC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580581	0	47	0.0	-74.10	378.29	5.83	-68.27
C=CCOCC(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580581	1	47	0.0	-73.35	379.04	5.76	-67.59
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CC2)C1)C1CCOCC1	REAL300012580582	0	50	0.0	-73.82	380.77	5.99	-67.83
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C1CCOCC1	REAL300012580582	1	50	0.0	-74.46	374.35	5.79	-68.67
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CC2)C1)C1=CC=C(F)C(F)=C1	REAL300012580583	0	46	0.0	-70.59	380.64	8.18	-62.41
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C1=CC=C(F)C(F)=C1	REAL300012580583	1	46	0.0	-67.36	378.90	8.25	-59.11
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CC2)C1)C1=CC=C(Cl)C(F)=C1	REAL300012580584	0	46	0.0	-69.97	390.29	8.71	-61.26
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C1=CC=C(Cl)C(F)=C1	REAL300012580584	1	46	0.0	-67.62	389.03	8.61	-59.01
COC1CCN(C(=O)NC2CC[N@H+](CC3CC3)C2)C(C(=O)[O-])C1	REAL300012580585	0	50	0.0	-82.80	372.13	8.04	-74.76
COC1CCN(C(=O)NC2CC[N@@H+](CC3CC3)C2)C(C(=O)[O-])C1	REAL300012580585	1	50	0.0	-83.43	371.32	8.22	-75.21
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CC2)C1)C1CCCOC1	REAL300012580586	0	50	0.0	-71.87	376.92	5.84	-66.03
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C1CCCOC1	REAL300012580586	1	50	0.0	-70.19	375.11	5.67	-64.52
CC1CCN(C(=O)NC2CC[N@H+](CC3CC3)C2)C(C(=O)[O-])C1	REAL300012580587	0	49	0.0	-83.01	362.84	9.78	-73.23
CC1CCN(C(=O)NC2CC[N@@H+](CC3CC3)C2)C(C(=O)[O-])C1	REAL300012580587	1	49	0.0	-81.34	355.65	9.49	-71.85
CC1=CC(C(NC(=O)NC2CC[N@H+](CC3CC3)C2)C(=O)[O-])=CC=C1F	REAL300012580588	0	49	0.0	-70.00	394.46	8.84	-61.16
CC1=CC(C(NC(=O)NC2CC[N@@H+](CC3CC3)C2)C(=O)[O-])=CC=C1F	REAL300012580588	1	49	0.0	-70.21	393.16	8.74	-61.47
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CC2)C1)C1=CC=C2OCCC2=C1	REAL300012580589	0	51	0.0	-73.54	403.83	7.91	-65.63
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C1=CC=C2OCCC2=C1	REAL300012580589	1	51	0.0	-73.28	402.31	7.88	-65.40
CC1=CC(C(NC(=O)NC2CC[N@H+](CC3CC3)C2)C(=O)[O-])=CC(C)=C1	REAL300012580590	0	52	0.0	-73.75	409.58	9.34	-64.41
CC1=CC(C(NC(=O)NC2CC[N@@H+](CC3CC3)C2)C(=O)[O-])=CC(C)=C1	REAL300012580590	1	52	0.0	-73.04	409.19	9.40	-63.64
CC1=CC=C(C(NC(=O)NC2CC[N@H+](CC3CC3)C2)C(=O)[O-])C=C1C	REAL300012580591	0	52	0.0	-74.49	406.38	9.26	-65.23
CC1=CC=C(C(NC(=O)NC2CC[N@@H+](CC3CC3)C2)C(=O)[O-])C=C1C	REAL300012580591	1	52	0.0	-74.01	404.85	9.25	-64.76
COC1=CC=C(C(NC(=O)NC2CC[N@H+](CC3CC3)C2)C(=O)[O-])C=C1Cl	REAL300012580592	0	50	0.0	-73.68	413.46	7.91	-65.77
COC1=CC=C(C(NC(=O)NC2CC[N@@H+](CC3CC3)C2)C(=O)[O-])C=C1Cl	REAL300012580592	1	50	0.0	-71.12	412.00	7.80	-63.32
CC1=CC=CC(C(NC(=O)NC2CC[N@H+](CC3CC3)C2)C(=O)[O-])=C1C	REAL300012580593	0	52	0.0	-76.15	401.06	8.88	-67.27
CC1=CC=CC(C(NC(=O)NC2CC[N@@H+](CC3CC3)C2)C(=O)[O-])=C1C	REAL300012580593	1	52	0.0	-72.14	396.13	9.07	-63.07
COC1=CC=C(C(NC(=O)NC2CC[N@H+](CC3CC3)C2)C(=O)[O-])C=C1F	REAL300012580594	0	50	0.0	-74.50	403.65	7.42	-67.08
COC1=CC=C(C(NC(=O)NC2CC[N@@H+](CC3CC3)C2)C(=O)[O-])C=C1F	REAL300012580594	1	50	0.0	-71.48	402.20	7.32	-64.16
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580595	0	52	0.0	-53.95	428.07	11.78	-42.17
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580595	1	52	0.0	-55.65	426.29	11.67	-43.98
CC(C(=O)[O-])N(C(=O)NC1CC[N@H+](CC2CC2)C1)C1CCC1	REAL300012580596	0	49	0.0	-47.65	360.16	9.59	-38.06
CC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](CC2CC2)C1)C1CCC1	REAL300012580596	1	49	0.0	-47.99	357.37	9.68	-38.31
CCCN(C(=O)NC1CC[N@H+](CC2CC2)C1)C(COC)C(=O)[O-]	REAL300012580597	0	52	0.0	-73.77	394.01	9.45	-64.32
CCCN(C(=O)NC1CC[N@@H+](CC2CC2)C1)C(COC)C(=O)[O-]	REAL300012580597	1	52	0.0	-74.86	391.99	9.36	-65.50
CCCN(C(=O)NC1CC[N@H+](CC2CC2)C1)C(CC)C(=O)[O-]	REAL300012580598	0	51	0.0	-74.80	384.34	10.39	-64.41
CCCN(C(=O)NC1CC[N@@H+](CC2CC2)C1)C(CC)C(=O)[O-]	REAL300012580598	1	51	0.0	-74.54	378.26	10.24	-64.30
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CC2)C1)C1=CC=C(Cl)C=C1	REAL300012580599	0	46	0.0	-69.89	383.69	8.46	-61.43
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C1=CC=C(Cl)C=C1	REAL300012580599	1	46	0.0	-69.05	385.34	8.57	-60.48
O=C([O-])C1CSCCN1C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580600	0	44	0.0	-79.49	341.30	8.89	-70.60
O=C([O-])C1CSCCN1C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580600	1	44	0.0	-81.03	340.85	9.13	-71.90
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CC3)C2)CCCCC1	REAL300012580601	0	49	0.0	-75.56	361.31	8.20	-67.36
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CC3)C2)CCCCC1	REAL300012580601	1	49	0.0	-75.50	359.80	8.17	-67.33
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CC3)C2)CCCCCC1	REAL300012580602	0	52	0.0	-76.10	371.17	8.78	-67.32
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CC3)C2)CCCCCC1	REAL300012580602	1	52	0.0	-74.53	365.81	8.72	-65.81
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580603	0	49	0.0	-74.06	389.30	8.88	-65.18
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580603	1	49	0.0	-73.77	388.45	9.04	-64.73
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580604	0	49	0.0	-57.62	388.32	10.73	-46.89
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C[C@H]1CC[C@@](NC(=O)NC2CC[N@@H+](CC3CC3)C2)(C(=O)[O-])CC1	REAL300012580668	1	52	0.0	-75.78	373.77	8.52	-67.26
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CC(CCF)(NC(=O)NC1CC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580671	0	45	0.0	-68.54	341.53	6.36	-62.18
CC(CCF)(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580671	1	45	0.0	-67.45	343.15	6.47	-60.98
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COC1=CC=CC([C@H](NC(=O)NC2CC[N@@H+](CC3CC3)C2)C(=O)[O-])=C1	REAL300012580674	1	50	0.0	-74.98	395.84	7.37	-67.61
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3CC3)C2)C1	REAL300012580675	0	52	0.0	-75.73	397.74	8.91	-66.82
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3CC3)C2)C1	REAL300012580675	1	52	0.0	-78.87	394.61	9.50	-69.37
COC1=CC=CC(CC(NC(=O)NC2CC[N@H+](CC3CC3)C2)C(=O)[O-])=C1	REAL300012580676	0	53	0.0	-77.67	419.75	8.34	-69.33
COC1=CC=CC(CC(NC(=O)NC2CC[N@@H+](CC3CC3)C2)C(=O)[O-])=C1	REAL300012580676	1	53	0.0	-77.24	420.30	8.28	-68.96
CC1(C)CCCC(NC(=O)NC2CC[N@H+](CC3CC3)C2)(C(=O)[O-])C1	REAL300012580677	0	55	0.0	-76.92	389.09	9.08	-67.84
CC1(C)CCCC(NC(=O)NC2CC[N@@H+](CC3CC3)C2)(C(=O)[O-])C1	REAL300012580677	1	55	0.0	-76.66	387.70	9.03	-67.63
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NC1CC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580678	0	52	0.0	-70.88	409.14	9.58	-61.30
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580678	1	52	0.0	-70.78	408.74	9.65	-61.13
CC(NC(=O)NC1CC[N@H+](CC2CC2)C1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012580679	0	51	0.0	-68.55	403.99	9.51	-59.04
CC(NC(=O)NC1CC[N@@H+](CC2CC2)C1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012580679	1	51	0.0	-68.14	402.62	9.45	-58.69
COC1CN(C(=O)NC2CC[N@H+](CC3CC3)C2)C(C)(C(=O)[O-])C1	REAL300012580680	0	50	0.0	-77.51	379.52	7.48	-70.03
COC1CN(C(=O)NC2CC[N@@H+](CC3CC3)C2)C(C)(C(=O)[O-])C1	REAL300012580680	1	50	0.0	-77.77	379.60	7.35	-70.42
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580681	0	53	0.0	-70.80	398.75	7.58	-63.22
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C=C(Cl)CC(NC(=O)NC1CC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580682	0	43	0.0	-72.71	360.31	7.09	-65.62
C=C(Cl)CC(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580682	1	43	0.0	-67.73	358.51	7.16	-60.57
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580683	0	47	0.0	-84.51	350.42	9.36	-75.15
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580683	1	47	0.0	-85.02	351.78	9.20	-75.82
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580684	0	52	0.0	-71.56	398.81	9.13	-62.43
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580684	1	52	0.0	-71.49	398.42	9.19	-62.30
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580685	0	43	0.0	-72.59	344.42	7.67	-64.92
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580685	1	43	0.0	-72.62	342.93	7.65	-64.97
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O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C1=CC=CC=C1	REAL300012580688	1	46	0.0	-73.18	366.20	8.12	-65.06
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CC2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300012580689	0	49	0.0	-70.83	405.50	8.99	-61.84
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300012580689	1	49	0.0	-72.39	405.49	9.04	-63.35
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580690	0	45	0.0	-73.68	377.02	6.18	-67.50
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580690	1	45	0.0	-71.53	377.35	6.18	-65.35
CC(C)CCCC(NC(=O)NC1CC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580691	0	54	0.0	-71.89	413.04	8.87	-63.02
CC(C)CCCC(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580691	1	54	0.0	-72.49	412.35	8.80	-63.69
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580692	0	52	0.0	-71.36	420.17	9.44	-61.92
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580692	1	52	0.0	-75.01	417.37	9.36	-65.65
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580693	0	50	0.0	-72.11	385.00	6.74	-65.37
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580693	1	50	0.0	-70.90	385.21	6.74	-64.16
CSCC(NC(=O)NC1CC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580694	0	43	0.0	-69.05	354.61	6.45	-62.60
CSCC(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580694	1	43	0.0	-68.25	355.88	6.39	-61.86
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580695	0	49	0.0	-72.64	396.60	9.10	-63.54
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580695	1	49	0.0	-70.96	394.98	9.08	-61.88
CCC(C)CC(NC(=O)NC1CC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580696	0	51	0.0	-72.69	388.73	7.96	-64.73
CCC(C)CC(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580696	1	51	0.0	-72.70	389.36	7.93	-64.77
C=CCCCC(NC(=O)NC1CC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580697	0	49	0.0	-72.15	387.61	8.11	-64.04
C=CCCCC(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300012580697	1	49	0.0	-72.64	386.09	8.08	-64.56
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580698	0	49	0.0	-69.97	395.35	9.00	-60.97
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580698	1	49	0.0	-71.87	395.55	9.07	-62.80
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CC2)C1)C1=CC=CC2=CC=CC=C21	REAL300012580699	0	52	0.0	-76.97	407.89	10.10	-66.87
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C1=CC=CC2=CC=CC=C21	REAL300012580699	1	52	0.0	-77.26	407.32	10.20	-67.06
O=C([O-])C1CSCCN1C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580700	0	44	0.0	-79.49	341.30	8.89	-70.60
O=C([O-])C1CSCCN1C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580700	1	44	0.0	-81.03	340.85	9.13	-71.90
CC(NC(=O)NC1CC[N@H+](CC2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012580701	0	49	0.0	-73.37	374.83	8.71	-64.66
CC(NC(=O)NC1CC[N@@H+](CC2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012580701	1	49	0.0	-73.39	374.40	8.78	-64.61
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580702	0	47	0.0	-82.71	351.15	9.33	-73.38
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580702	1	47	0.0	-84.00	350.06	9.32	-74.68
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580703	0	42	0.0	-71.31	335.78	7.94	-63.37
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580703	1	42	0.0	-67.75	342.90	8.27	-59.48
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580704	0	42	0.0	-71.31	335.78	7.94	-63.37
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580704	1	42	0.0	-67.75	342.90	8.27	-59.48
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580705	0	55	0.0	-56.85	417.14	6.15	-50.70
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580705	1	55	0.0	-57.24	416.71	6.22	-51.02
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC[N@H+](CC3CC3)C2)CC1	REAL300012580706	1	59	0.0	-56.16	437.12	5.80	-50.36
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC[N@@H+](CC3CC3)C2)CC1	REAL300012580706	1	59	0.0	-56.89	441.91	6.09	-50.80
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580707	0	50	0.0	-51.68	386.29	10.84	-40.84
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580707	1	50	0.0	-52.24	382.41	10.85	-41.39
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC[N@H+](CC3CC3)C2)[C@H]1C(=O)[O-]	REAL300012580708	0	53	0.0	-60.26	394.78	11.03	-49.23
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O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C1=CC=CC(Br)=C1	REAL300012580812	1	46	0.0	-69.20	387.10	8.69	-60.51
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CC3)C2)CC2=CC=CC=C2C1	REAL300012580813	0	50	0.0	-75.34	387.43	9.30	-66.04
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CC3)C2)CC2=CC=CC=C2C1	REAL300012580813	1	50	0.0	-73.98	384.60	9.14	-64.84
C[C@H]1OCCN(C(=O)NC2CC[N@H+](CC3CC3)C2)[C@@H]1C(=O)[O-]	REAL300012580814	0	47	0.0	-79.49	352.23	7.32	-72.17
C[C@H]1OCCN(C(=O)NC2CC[N@@H+](CC3CC3)C2)[C@@H]1C(=O)[O-]	REAL300012580814	1	47	0.0	-80.77	351.49	7.40	-73.37
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580815	0	49	0.0	-74.85	371.84	8.72	-66.13
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580815	1	49	0.0	-75.17	371.37	8.83	-66.34
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CC2)C1)C12CC3CC(CC(C3)C1)C2	REAL300012580816	0	60	0.0	-75.74	422.83	10.12	-65.62
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CC2)C1)C12CC3CC(CC(C3)C1)C2	REAL300012580816	1	60	0.0	-75.57	422.33	10.11	-65.46
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580817	0	52	0.0	-76.31	419.97	9.34	-66.97
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580817	1	52	0.0	-74.27	414.07	9.23	-65.04
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580818	0	46	0.0	-57.17	370.35	8.96	-48.21
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580818	1	46	0.0	-56.74	369.72	8.93	-47.81
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580819	0	57	0.0	-78.25	400.69	9.38	-68.87
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580819	1	57	0.0	-79.28	402.62	9.37	-69.91
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[N@H+](CC2CC2)C1	REAL300012580820	0	48	0.0	-73.56	401.81	7.72	-65.84
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300012580820	1	48	0.0	-73.28	400.29	7.71	-65.57
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3CC3)C2)C1	REAL300012580821	0	50	0.0	-75.84	384.93	7.92	-67.92
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3CC3)C2)C1	REAL300012580821	1	50	0.0	-75.21	383.29	7.87	-67.34
CC(C)C[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580841	0	55	0.0	-70.66	390.05	6.02	-64.64
C=CCOCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580842	0	54	0.0	-70.63	398.33	4.46	-66.17
C=CC(C)C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580843	0	53	0.0	-71.01	377.94	5.54	-65.47
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCOCC1	REAL300012580844	0	57	0.0	-67.44	395.64	4.53	-62.91
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC=C(F)C(F)=C1	REAL300012580845	0	53	0.0	-61.07	400.17	6.96	-54.11
COC1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C(C(=O)[O-])C1	REAL300012580846	0	57	0.0	-79.48	391.42	6.77	-72.71
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCOC1	REAL300012580847	0	57	0.0	-68.71	399.52	4.79	-63.92
CC1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C(C(=O)[O-])C1	REAL300012580848	0	56	0.0	-77.61	382.02	8.22	-69.39
CC1=CC(C(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)[O-])=CC=C1F	REAL300012580849	0	56	0.0	-63.97	414.16	7.54	-56.43
CC1=CC(C(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)[O-])=CC(C)=C1	REAL300012580850	0	59	0.0	-71.03	430.48	8.08	-62.95
CC1=CC=C(C(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)[O-])C=C1C	REAL300012580851	0	59	0.0	-70.56	425.47	7.99	-62.57
CC1=CC=CC(C(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)[O-])=C1C	REAL300012580852	0	59	0.0	-70.60	417.69	7.78	-62.82
CCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580853	0	52	0.0	-53.24	371.14	7.25	-45.99
CC(C(=O)[O-])N(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCC1	REAL300012580854	0	56	0.0	-56.36	383.15	7.54	-48.82
CCCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(COC)C(=O)[O-]	REAL300012580855	0	59	0.0	-69.15	414.45	8.22	-60.93
CCCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(CC)C(=O)[O-]	REAL300012580856	0	58	0.0	-67.00	400.13	8.88	-58.12
CC(C)C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580857	0	52	0.0	-70.13	368.75	5.25	-64.88
O=C([O-])C1CCCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580858	0	53	0.0	-79.87	361.68	7.82	-72.05
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC=C(Cl)C=C1	REAL300012580859	0	53	0.0	-67.24	404.39	7.27	-59.97
O=C([O-])C1CSCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580860	0	51	0.0	-76.04	361.97	7.83	-68.21
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCCC1	REAL300012580861	0	56	0.0	-69.69	381.14	6.91	-62.78
O=C([O-])C1CCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580862	0	50	0.0	-76.32	350.39	6.58	-69.74
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCC1	REAL300012580863	0	53	0.0	-69.75	366.62	5.80	-63.95
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCCCC1	REAL300012580864	0	59	0.0	-70.80	386.82	7.57	-63.23
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580865	0	56	0.0	-72.31	409.87	7.70	-64.61
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580866	0	56	0.0	-52.17	408.46	9.51	-42.66
O=C([O-])[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC=CC=C1	REAL300012580867	0	53	0.0	-67.05	387.70	6.75	-60.30
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC=CC=C1	REAL300012580868	0	53	0.0	-67.05	387.68	6.75	-60.30
CCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580869	0	49	0.0	-69.66	351.71	4.68	-64.98
CC(C)C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580870	0	52	0.0	-70.13	368.75	5.25	-64.88
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580871	0	56	0.0	-72.31	409.87	7.70	-64.61
CCC(C)C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580872	0	55	0.0	-64.87	381.65	5.70	-59.17
O=C([O-])C1CCCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580873	0	53	0.0	-79.87	361.68	7.82	-72.05
CCCC(C)(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580874	0	55	0.0	-64.74	377.35	5.79	-58.95
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580875	0	52	0.0	-66.28	349.03	7.84	-58.44
O=C([O-])CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1	REAL300012580876	0	50	0.0	-52.23	352.79	6.90	-45.33
C=CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580877	0	50	0.0	-52.90	362.45	7.05	-45.85
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580878	0	55	0.0	-52.73	385.55	7.55	-45.18
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580879	0	57	0.0	-79.63	399.73	9.85	-69.78
CC(C)(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580880	0	49	0.0	-56.05	342.46	4.05	-52.00
CC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)(C(=O)[O-])C1CC1	REAL300012580881	0	53	0.0	-70.98	365.10	5.80	-65.18
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC=CS1	REAL300012580882	0	50	0.0	-68.32	379.28	5.85	-62.47
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCCC1	REAL300012580883	0	56	0.0	-69.69	381.14	6.91	-62.78
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580884	0	52	0.0	-66.28	349.03	7.84	-58.44
CCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580885	0	52	0.0	-53.24	371.14	7.25	-45.99
CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580886	0	49	0.0	-64.59	349.64	6.49	-58.10
CC[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580887	0	55	0.0	-70.27	382.04	5.69	-64.58
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCC1	REAL300012580888	0	53	0.0	-69.75	366.62	5.80	-63.95
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580889	0	56	0.0	-50.51	414.85	9.58	-40.93
CCC(C)(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580890	0	52	0.0	-64.41	355.85	5.04	-59.37
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC2=CC=CC=C2C1	REAL300012580891	0	57	0.0	-73.85	407.33	8.07	-65.78
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC(F)=CC=C1F	REAL300012580892	0	53	0.0	-70.01	397.73	6.91	-63.10
CC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012580893	0	56	0.0	-70.66	395.52	7.55	-63.11
CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580894	0	49	0.0	-64.59	349.64	6.49	-58.10
CCCCCCC(C)(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580895	0	64	0.0	-64.84	441.84	8.13	-56.71
CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012580896	0	59	0.0	-71.17	420.67	9.65	-61.52
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	REAL300012580897	0	47	0.0	-72.81	335.96	4.89	-67.92
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC=C(Cl)C=C1	REAL300012580898	0	53	0.0	-67.24	404.39	7.27	-59.97
O=C([O-])C1COCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580899	0	51	0.0	-76.20	352.68	5.29	-70.91
CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1(C(=O)[O-])CCCCC1	REAL300012580900	0	59	0.0	-76.70	390.44	8.20	-68.50
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1	REAL300012580901	0	50	0.0	-69.01	358.43	5.17	-63.84
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580902	0	59	0.0	-53.81	430.87	10.28	-43.53
CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012580903	0	56	0.0	-66.91	395.36	8.40	-58.51
COCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580904	0	53	0.0	-53.47	381.02	5.67	-47.80
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC2=CC=CC=C21	REAL300012580905	0	57	0.0	-71.92	402.59	7.87	-64.05
O=C([O-])[C@H]1CCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580906	0	50	0.0	-73.16	351.05	6.29	-66.87
O=C([O-])[C@H]1CCCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580907	0	53	0.0	-76.70	360.98	7.58	-69.12
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580908	0	49	0.0	-62.40	341.48	5.69	-56.71
O=C([O-])[C@@H]1CCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580909	0	50	0.0	-77.07	350.28	6.60	-70.47
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC1	REAL300012580910	0	50	0.0	-71.36	352.77	5.41	-65.95
C=CCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580911	0	50	0.0	-68.35	364.19	5.13	-63.22
CC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580912	0	53	0.0	-77.24	367.44	7.15	-70.09
O=C([O-])C1CCCCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580913	0	56	0.0	-75.13	375.54	8.56	-66.57
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1	REAL300012580914	0	50	0.0	-69.01	358.43	5.17	-63.84
CC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580915	0	49	0.0	-61.24	342.74	5.74	-55.50
CCCCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580916	0	55	0.0	-69.07	393.87	6.24	-62.83
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580917	0	59	0.0	-53.81	430.87	10.28	-43.53
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580918	0	53	0.0	-77.15	367.49	7.14	-70.01
O=C([O-])CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCC1	REAL300012580919	0	56	0.0	-51.85	385.79	8.07	-43.78
COCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580920	0	50	0.0	-70.74	363.57	2.91	-67.83
CCCCCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580921	0	58	0.0	-69.66	416.21	7.00	-62.66
CCC1CCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)(C(=O)[O-])CC1	REAL300012580922	0	62	0.0	-69.69	420.20	8.14	-61.55
O=C([O-])CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCOCC1	REAL300012580923	0	57	0.0	-45.63	394.34	6.41	-39.22
CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1(C(=O)[O-])CCCC1	REAL300012580924	0	56	0.0	-77.82	376.91	7.51	-70.31
CC(C(=O)[O-])N(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1	REAL300012580925	0	53	0.0	-56.85	367.86	7.06	-49.79
CCC(C(=O)[O-])N(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1	REAL300012580926	0	56	0.0	-47.00	388.55	8.18	-38.82
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC=CC=C1Cl	REAL300012580927	0	53	0.0	-72.03	398.45	7.22	-64.81
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC=CC=C1F	REAL300012580928	0	53	0.0	-76.63	392.10	6.84	-69.79
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580929	0	57	0.0	-53.60	403.32	9.09	-44.51
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580930	0	62	0.0	-66.07	431.61	7.95	-58.12
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580931	0	59	0.0	-52.14	420.80	10.19	-41.95
CC1=CC=C(C(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)[O-])C=C1	REAL300012580932	0	56	0.0	-67.15	409.09	7.43	-59.72
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580933	0	49	0.0	-62.57	366.81	5.39	-57.18
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCSCC1	REAL300012580934	0	54	0.0	-70.79	378.82	6.57	-64.22
COCC(C)(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580935	0	53	0.0	-69.10	374.09	4.32	-64.78
CCOCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580936	0	56	0.0	-66.48	393.90	6.06	-60.42
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580937	0	55	0.0	-52.73	385.55	7.55	-45.18
O=C([O-])CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1	REAL300012580938	0	50	0.0	-52.23	352.79	6.90	-45.33
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580939	0	52	0.0	-54.22	389.27	7.63	-46.59
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCOC1	REAL300012580940	0	51	0.0	-69.41	357.26	3.20	-66.21
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCCC1	REAL300012580941	0	59	0.0	-71.68	410.19	7.15	-64.53
CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(COC1CCC1)C(=O)[O-]	REAL300012580942	0	60	0.0	-66.91	421.06	7.40	-59.51
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCOCC1	REAL300012580943	0	54	0.0	-67.76	372.62	4.39	-63.37
C=CCCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580944	0	53	0.0	-68.54	385.19	6.01	-62.53
O=C([O-])C(CF)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580945	0	46	0.0	-55.67	333.50	3.66	-52.01
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580946	0	59	0.0	-33.62	416.10	10.39	-23.23
CC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580947	0	49	0.0	-61.24	342.74	5.74	-55.50
CCC(CC)(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580948	0	55	0.0	-65.67	372.23	5.93	-59.74
COC1=CC=C(C(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)[O-])C=C1	REAL300012580949	0	57	0.0	-70.08	416.91	6.12	-63.96
CCC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580950	0	55	0.0	-52.51	380.36	7.82	-44.69
CCC(COC)(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580951	0	56	0.0	-75.83	390.77	5.23	-70.60
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580952	0	59	0.0	-67.10	414.17	6.82	-60.28
O=C([O-])C(CC1CC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580953	0	53	0.0	-66.07	383.65	6.12	-59.95
COCCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580954	0	53	0.0	-69.57	384.55	3.75	-65.82
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580955	0	58	0.0	-67.70	400.31	8.26	-59.44
O=C([O-])C(CC(F)F)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580956	0	49	0.0	-64.24	362.33	5.20	-59.04
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580957	0	59	0.0	-73.37	404.83	8.97	-64.40
CCCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(C)C(=O)[O-]	REAL300012580958	0	55	0.0	-46.19	379.51	8.09	-38.10
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580959	0	59	0.0	-53.92	413.00	9.42	-44.50
CCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012580960	0	59	0.0	-68.68	412.50	8.43	-60.25
COC1CCCC(C(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)[O-])C1	REAL300012580961	0	63	0.0	-66.98	438.65	6.32	-60.66
O=C([O-])C(CCF)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580962	0	49	0.0	-68.37	357.47	4.83	-63.54
COC1(CC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)[O-])CCC1	REAL300012580963	0	60	0.0	-71.48	421.54	5.97	-65.51
O=C([O-])CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCOCC1	REAL300012580964	0	57	0.0	-45.63	394.34	6.41	-39.22
O=C([O-])CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCCC1	REAL300012580965	0	59	0.0	-52.15	403.20	8.78	-43.37
C[C@H]1CC[C@@](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)(C(=O)[O-])CC1	REAL300012580966	0	59	0.0	-70.03	394.85	7.28	-62.75
COC1=CC=CC(C(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)[O-])=C1	REAL300012580967	0	57	0.0	-72.30	416.56	6.07	-66.23
CC(CCF)(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580968	0	52	0.0	-61.69	362.44	5.18	-56.51
O=C([O-])C1C2=C(CCN1C(=O)NCC1([NH+]3CCCC3)CCOCC1)OC=C2	REAL300012580969	0	54	0.0	-50.46	385.19	7.39	-43.07
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580970	0	50	0.0	-68.11	365.36	6.34	-61.77
COC1=CC=CC([C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)[O-])=C1	REAL300012580971	0	57	0.0	-72.33	416.59	6.07	-66.26
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580972	0	49	0.0	-65.29	342.55	5.76	-59.53
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300012580973	0	59	0.0	-76.56	416.49	8.50	-68.06
CC1(C)CCCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)(C(=O)[O-])C1	REAL300012580974	0	62	0.0	-76.05	409.11	7.79	-68.26
O=C([O-])C12CC(C1)CN2C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580975	0	51	0.0	-80.54	357.39	7.20	-73.34
COC1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C(C)(C(=O)[O-])C1	REAL300012580976	0	57	0.0	-77.61	400.79	6.10	-71.51
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580977	0	60	0.0	-65.52	422.68	5.58	-59.94
CC(C)(C)[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580978	0	55	0.0	-70.19	380.70	5.80	-64.39
C=C(Cl)CC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580979	0	50	0.0	-70.77	380.98	5.73	-65.04
C=C(C)CC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580980	0	53	0.0	-69.82	385.59	5.88	-63.94
O=C([O-])C12CCC(CC1)N2C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580981	0	54	0.0	-82.88	372.40	8.08	-74.80
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580982	0	50	0.0	-70.38	363.28	6.77	-63.61
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580983	0	50	0.0	-75.51	357.51	6.39	-69.12
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300012580984	0	51	0.0	-76.63	364.49	6.65	-69.98
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580985	0	60	0.0	-70.65	418.54	6.22	-64.43
CC(C)C[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580986	0	55	0.0	-70.66	390.05	6.02	-64.64
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCOCC1	REAL300012580987	0	57	0.0	-67.44	395.64	4.53	-62.91
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC=CC=C1	REAL300012580988	0	53	0.0	-67.05	387.68	6.75	-60.30
O=C([O-])C(CC1CC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580989	0	53	0.0	-66.07	383.65	6.12	-59.95
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580990	0	52	0.0	-67.68	396.69	4.85	-62.83
CC(C)CCCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580991	0	61	0.0	-69.20	432.94	7.53	-61.67
O=C([O-])C(CC1CCCO1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580992	0	57	0.0	-69.98	407.47	5.13	-64.85
CSCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580993	0	50	0.0	-66.04	375.18	5.09	-60.95
COC[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580994	0	50	0.0	-71.12	363.38	2.93	-68.19
CC[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580995	0	49	0.0	-69.71	351.28	4.75	-64.96
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580996	0	56	0.0	-66.61	416.36	7.77	-58.84
CCC(C)CC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580997	0	58	0.0	-70.61	408.42	6.65	-63.96
C=CCCCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012580998	0	56	0.0	-68.37	406.69	6.80	-61.57
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012580999	0	56	0.0	-70.28	416.31	7.76	-62.52
O=C([O-])C1CSCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581000	0	51	0.0	-76.04	361.97	7.83	-68.21
CC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012581001	0	56	0.0	-70.66	395.52	7.55	-63.11
O=C([O-])[C@H]1CCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581002	0	50	0.0	-73.16	351.05	6.29	-66.87
CCCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581003	0	52	0.0	-69.05	372.38	5.44	-63.61
CC(C)[C@@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581004	0	52	0.0	-66.31	363.63	5.01	-61.30
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581005	0	54	0.0	-82.41	371.46	8.16	-74.25
CCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(C)(C)C(=O)[O-]	REAL300012581006	0	55	0.0	-68.17	376.40	7.43	-60.74
CCCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(C)C(=O)[O-]	REAL300012581007	0	55	0.0	-46.19	379.51	8.09	-38.10
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581008	0	49	0.0	-60.93	364.26	6.99	-53.94
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581009	0	49	0.0	-60.93	364.26	6.99	-53.94
CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(C)(C)C(=O)[O-]	REAL300012581010	0	52	0.0	-68.33	356.99	6.56	-61.77
O=C([O-])[C@@H]1CCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581011	0	50	0.0	-77.07	350.28	6.60	-70.47
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581012	0	62	0.0	-53.83	437.79	4.98	-48.85
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581013	0	51	0.0	-75.17	362.32	2.89	-72.28
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581014	0	57	0.0	-39.97	404.72	9.47	-30.50
CCC[C@@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581015	0	52	0.0	-65.36	372.78	5.51	-59.85
O=C([O-])[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC=CC=C1	REAL300012581016	0	53	0.0	-67.05	387.70	6.75	-60.30
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581017	0	58	0.0	-68.00	427.57	6.77	-61.23
C=CCCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581018	0	53	0.0	-68.54	385.19	6.01	-62.53
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581019	0	52	0.0	-68.99	396.23	4.76	-64.23
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581020	0	53	0.0	-87.30	380.96	4.18	-83.12
CN1CC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1=O	REAL300012581021	0	54	0.0	-66.72	377.94	5.68	-61.04
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581022	0	53	0.0	-72.47	367.37	7.13	-65.34
CC(C)[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581023	0	52	0.0	-70.53	368.57	5.26	-65.27
O=C([O-])[C@@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC=CC=C1	REAL300012581024	0	53	0.0	-69.71	387.06	6.78	-62.93
CC(CN1C=CC=N1)(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581025	0	56	0.0	-70.09	401.37	6.15	-63.94
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581026	0	49	0.0	-65.29	342.55	5.76	-59.53
CCC[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581027	0	52	0.0	-69.05	372.38	5.44	-63.61
CCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(C)C(=O)[O-]	REAL300012581028	0	52	0.0	-66.27	363.18	7.22	-59.05
O=C([O-])CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCC1	REAL300012581029	0	56	0.0	-51.85	385.79	8.07	-43.78
CC(CN(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581030	0	52	0.0	-73.72	363.18	6.42	-67.30
CC[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581031	0	55	0.0	-70.27	382.04	5.69	-64.58
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581032	0	52	0.0	-66.04	362.49	6.72	-59.32
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC(CO)C1	REAL300012581033	0	54	0.0	-70.16	385.02	2.68	-67.48
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581034	0	62	0.0	-70.70	433.89	6.02	-64.68
CC1CCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)(C(=O)[O-])C1	REAL300012581035	0	56	0.0	-70.34	386.66	6.41	-63.93
CC1(C)CCCC1(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581036	0	59	0.0	-75.32	395.40	7.02	-68.30
COCCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581037	0	53	0.0	-69.57	384.55	3.75	-65.82
CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012581038	0	59	0.0	-71.17	420.67	9.65	-61.52
CC1(C)CC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)(C(=O)[O-])C1	REAL300012581039	0	56	0.0	-76.11	389.19	7.11	-69.00
CC1(C(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)[O-])CC1	REAL300012581040	0	53	0.0	-68.42	375.14	6.05	-62.37
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581041	0	62	0.0	-65.47	435.91	5.92	-59.55
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581042	0	51	0.0	-78.00	361.05	3.11	-74.89
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCOC1	REAL300012581043	0	54	0.0	-65.88	378.30	3.72	-62.16
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581044	0	54	0.0	-81.49	372.53	7.74	-73.75
O=C([O-])C12COC(CN1C(=O)NCC1([NH+]3CCCC3)CCOCC1)C2	REAL300012581045	0	52	0.0	-78.09	366.08	5.27	-72.82
CC1CCC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300012581046	0	56	0.0	-80.65	377.91	8.68	-71.97
CC(C1=CC=CC=C1)C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581047	0	59	0.0	-65.68	425.14	8.11	-57.57
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581048	0	60	0.0	-65.78	419.66	8.55	-57.23
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCC1	REAL300012581049	0	53	0.0	-66.03	371.20	5.63	-60.40
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCCC1	REAL300012581050	0	59	0.0	-71.68	410.19	7.15	-64.53
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCC1	REAL300012581051	0	53	0.0	-66.03	371.20	5.63	-60.40
CC1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1C(=O)[O-]	REAL300012581052	0	53	0.0	-74.68	367.99	6.67	-68.01
C=CCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581053	0	50	0.0	-68.35	364.19	5.13	-63.22
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581054	0	60	0.0	-74.17	425.73	5.87	-68.30
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581055	0	60	0.0	-32.72	397.23	8.46	-24.26
CC1(C)CC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)(C(=O)[O-])CCO1	REAL300012581056	0	60	0.0	-75.28	401.63	5.65	-69.63
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581057	0	54	0.0	-38.62	373.11	7.63	-30.99
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581058	0	60	0.0	-65.78	419.66	8.55	-57.23
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581059	0	56	0.0	-69.10	416.55	7.75	-61.35
COC1CC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)(C(=O)[O-])C1	REAL300012581060	0	54	0.0	-70.83	384.33	4.27	-66.56
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC(F)(F)C1	REAL300012581061	0	50	0.0	-70.12	361.19	5.43	-64.69
CO[C@H]1C[C@](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)(C(=O)[O-])C1	REAL300012581062	0	54	0.0	-71.89	384.61	4.66	-67.23
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1(C(F)(F)F)CC1	REAL300012581063	0	53	0.0	-69.44	391.78	6.47	-62.97
CCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581064	0	56	0.0	-80.40	383.40	8.44	-71.96
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581065	0	49	0.0	-62.57	366.81	5.39	-57.18
O=C([O-])C(CC1CCOC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581066	0	57	0.0	-66.45	406.42	4.74	-61.71
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)COC1	REAL300012581067	0	48	0.0	-64.15	343.63	2.44	-61.71
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581068	0	53	0.0	-71.86	401.83	6.75	-65.11
CC(C)C(C)(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581069	0	55	0.0	-70.34	370.77	5.66	-64.68
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581070	0	51	0.0	-77.60	357.21	7.72	-69.88
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581071	0	54	0.0	-74.52	373.87	7.38	-67.14
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581072	0	59	0.0	-53.92	413.00	9.42	-44.50
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581073	0	62	0.0	-66.07	431.61	7.95	-58.12
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581074	0	59	0.0	-70.88	433.12	8.46	-62.42
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581075	0	59	0.0	-66.84	432.69	8.53	-58.31
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC2CCC1C2	REAL300012581076	0	60	0.0	-67.97	414.25	7.53	-60.44
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581077	0	62	0.0	-64.44	431.65	8.00	-56.44
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581078	0	62	0.0	-70.52	431.03	7.91	-62.61
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581079	0	60	0.0	-46.59	412.96	8.52	-38.07
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581080	0	60	0.0	-76.17	409.11	8.27	-67.90
C=CCSCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581081	0	54	0.0	-66.00	409.46	6.54	-59.46
CCC(C(=O)[O-])N(CC)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581082	0	55	0.0	-67.32	378.48	8.13	-59.19
COC1(C(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)[O-])CCC1	REAL300012581083	0	57	0.0	-66.77	399.69	4.46	-62.31
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC(C(F)F)C1	REAL300012581084	0	53	0.0	-73.65	384.75	6.24	-67.41
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581086	0	50	0.0	-75.51	357.51	6.39	-69.12
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581087	0	52	0.0	-46.44	366.55	7.37	-39.07
CC1(C)CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1C(=O)[O-]	REAL300012581088	0	56	0.0	-74.57	384.34	7.37	-67.20
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581089	0	60	0.0	-77.06	406.77	9.35	-67.71
CC(C)CCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581090	0	58	0.0	-69.94	412.28	6.74	-63.20
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581091	0	57	0.0	-47.17	399.65	8.04	-39.13
O=C([O-])C(CC1CCOC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581092	0	57	0.0	-66.45	406.42	4.74	-61.71
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300012581093	0	54	0.0	-75.33	394.68	7.60	-67.73
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCC2CC21	REAL300012581094	0	57	0.0	-71.95	386.75	7.55	-64.40
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC2CC21	REAL300012581095	0	54	0.0	-69.63	375.16	6.40	-63.23
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC2(CCC2)C1	REAL300012581096	0	57	0.0	-72.23	401.43	7.27	-64.96
CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012581097	0	59	0.0	-65.56	420.48	9.76	-55.80
O=C([O-])C1CC2(CN1C(=O)NCC1([NH+]3CCCC3)CCOCC1)CCCCC2	REAL300012581098	0	63	0.0	-40.79	427.71	8.89	-31.90
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCC1	REAL300012581099	0	56	0.0	-67.23	387.75	6.21	-61.02
CO[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581100	0	53	0.0	-70.96	381.53	3.92	-67.04
CC1[C@@H](C)[C@@]1(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581101	0	53	0.0	-70.16	365.96	5.97	-64.19
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581102	0	56	0.0	-52.17	408.46	9.51	-42.66
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300012581103	0	56	0.0	-38.76	390.63	7.35	-31.41
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581104	0	53	0.0	-76.52	372.50	7.72	-68.80
O=C([O-])C1N(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC1(F)F	REAL300012581105	0	50	0.0	-81.50	362.03	6.74	-74.76
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581106	0	56	0.0	-69.10	416.55	7.75	-61.35
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581107	0	53	0.0	-66.44	400.78	6.62	-59.82
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581108	0	53	0.0	-76.18	379.86	7.37	-68.81
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581109	0	53	0.0	-66.44	400.78	6.62	-59.82
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581110	0	57	0.0	-75.52	388.19	7.68	-67.84
COCCCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581111	0	56	0.0	-67.92	406.05	4.52	-63.40
CCCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581112	0	55	0.0	-66.99	383.63	7.44	-59.55
CCOCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581113	0	53	0.0	-71.00	385.42	3.89	-67.11
CC(C)(C)CC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581114	0	58	0.0	-65.40	402.62	7.08	-58.32
O=C([O-])C(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCCO1	REAL300012581115	0	57	0.0	-68.61	402.02	4.82	-63.79
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC2=CC=CC=C2C1	REAL300012581116	0	57	0.0	-73.85	407.33	8.07	-65.78
C[C@H]1OCCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H]1C(=O)[O-]	REAL300012581117	0	54	0.0	-76.67	373.17	6.20	-70.47
N#CCCC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300012581118	0	50	0.0	-72.11	372.57	5.18	-66.93
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581119	0	53	0.0	-53.26	390.11	7.65	-45.61
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300012581120	0	49	0.0	-62.40	341.48	5.69	-56.71
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300012581121	0	57	0.0	-73.69	404.73	6.65	-67.04
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2COCCO2)CC1	REAL300012581754	0	52	0.0	-63.59	397.32	3.61	-59.98
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCN2C=NC=N2)CC1	REAL300012581929	0	49	0.0	-65.87	388.42	6.83	-59.04
C=CCOCC(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582312	0	49	0.0	-71.86	381.54	5.51	-66.35
C=CCOCC(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582312	1	49	0.0	-70.86	381.39	5.56	-65.30
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)C1CCCC1	REAL300012582313	0	52	0.0	-72.41	378.85	5.57	-66.84
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)C1CCCC1	REAL300012582313	1	52	0.0	-73.53	379.98	5.50	-68.03
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CCCC1	REAL300012582314	0	48	0.0	-65.10	383.76	7.91	-57.19
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CCCC1	REAL300012582314	1	48	0.0	-65.72	383.74	7.92	-57.80
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CCCC1	REAL300012582315	0	48	0.0	-64.98	393.65	8.36	-56.62
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CCCC1	REAL300012582315	1	48	0.0	-64.85	393.03	8.39	-56.46
COC1CCN(C(=O)NCC[N@H+](C)C2CCCC2)C(C(=O)[O-])C1	REAL300012582316	0	52	0.0	-77.89	376.98	7.69	-70.20
COC1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)C(C(=O)[O-])C1	REAL300012582316	1	52	0.0	-77.85	375.10	7.73	-70.12
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCOC1)C1CCCC1	REAL300012582317	0	52	0.0	-68.89	379.40	5.54	-63.35
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCOC1)C1CCCC1	REAL300012582317	1	52	0.0	-67.36	378.80	5.62	-61.74
CC1CCN(C(=O)NCC[N@H+](C)C2CCCC2)C(C(=O)[O-])C1	REAL300012582318	0	51	0.0	-76.97	358.67	9.05	-67.92
CC1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)C(C(=O)[O-])C1	REAL300012582318	1	51	0.0	-76.65	358.61	8.96	-67.69
CC1=CC(C(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])=CC=C1F	REAL300012582319	0	51	0.0	-66.66	397.21	8.51	-58.15
CC1=CC(C(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])=CC=C1F	REAL300012582319	1	51	0.0	-67.38	397.79	8.49	-58.89
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1CCCC1	REAL300012582320	0	53	0.0	-70.46	407.00	7.63	-62.83
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1CCCC1	REAL300012582320	1	53	0.0	-70.51	406.98	7.65	-62.86
CC1=CC(C)=CC(C(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])=C1	REAL300012582321	0	54	0.0	-71.03	413.88	9.11	-61.92
CC1=CC(C)=CC(C(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])=C1	REAL300012582321	1	54	0.0	-70.96	413.91	9.12	-61.84
CC1=CC=C(C(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])C=C1C	REAL300012582322	0	54	0.0	-70.25	408.88	9.01	-61.24
CC1=CC=C(C(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])C=C1C	REAL300012582322	1	54	0.0	-70.90	408.86	9.03	-61.87
COC1=CC=C(C(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])C=C1Cl	REAL300012582323	0	52	0.0	-67.91	415.96	7.69	-60.22
COC1=CC=C(C(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])C=C1Cl	REAL300012582323	1	52	0.0	-67.20	415.99	7.68	-59.52
CC1=CC=CC(C(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])=C1C	REAL300012582324	0	54	0.0	-69.45	400.51	8.86	-60.59
CC1=CC=CC(C(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])=C1C	REAL300012582324	1	54	0.0	-69.93	400.12	8.82	-61.11
COC1=CC=C(C(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])C=C1F	REAL300012582325	0	52	0.0	-68.28	406.16	7.20	-61.08
COC1=CC=C(C(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])C=C1F	REAL300012582325	1	52	0.0	-68.37	406.78	7.16	-61.21
CC(C(=O)[O-])N(C(=O)NCC[N@H+](C)C1CCCC1)C1CCC1	REAL300012582326	0	51	0.0	-59.74	367.42	8.68	-51.06
CC(C(=O)[O-])N(C(=O)NCC[N@@H+](C)C1CCCC1)C1CCC1	REAL300012582326	1	51	0.0	-47.31	362.99	9.49	-37.82
CCCN(C(=O)NCC[N@H+](C)C1CCCC1)C(COC)C(=O)[O-]	REAL300012582327	0	54	0.0	-68.47	391.92	7.88	-60.59
CCCN(C(=O)NCC[N@@H+](C)C1CCCC1)C(COC)C(=O)[O-]	REAL300012582327	1	54	0.0	-69.13	392.63	7.99	-61.14
CCCN(C(=O)NCC[N@H+](C)C1CCCC1)C(CC)C(=O)[O-]	REAL300012582328	0	53	0.0	-67.20	381.11	9.26	-57.94
CCCN(C(=O)NCC[N@@H+](C)C1CCCC1)C(CC)C(=O)[O-]	REAL300012582328	1	53	0.0	-73.16	387.81	10.21	-62.95
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCC1	REAL300012582329	0	48	0.0	-66.28	387.19	8.33	-57.95
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCC1	REAL300012582329	1	48	0.0	-67.56	387.77	8.32	-59.24
C[N@H+](CCNC(=O)N1CCSCC1C(=O)[O-])C1CCCC1	REAL300012582330	0	46	0.0	-75.16	344.58	8.65	-66.51
C[N@@H+](CCNC(=O)N1CCSCC1C(=O)[O-])C1CCCC1	REAL300012582330	1	46	0.0	-75.73	344.82	8.76	-66.97
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCCC1)C1CCCC1	REAL300012582331	0	51	0.0	-72.55	364.44	7.93	-64.62
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCCC1)C1CCCC1	REAL300012582331	1	51	0.0	-71.86	364.43	7.92	-63.94
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCCCC1)C1CCCC1	REAL300012582332	0	54	0.0	-73.27	370.07	8.59	-64.68
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCCCC1)C1CCCC1	REAL300012582332	1	54	0.0	-72.41	370.11	8.61	-63.80
C[N@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CCCC1	REAL300012582333	0	51	0.0	-70.71	393.11	8.79	-61.92
C[N@@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CCCC1	REAL300012582333	1	51	0.0	-70.68	393.34	8.75	-61.93
C[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1CCCC1	REAL300012582334	0	51	0.0	-54.63	391.85	10.52	-44.11
C[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1CCCC1	REAL300012582334	1	51	0.0	-55.64	391.83	10.54	-45.10
C[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300012582335	0	48	0.0	-70.26	370.86	7.86	-62.40
C[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300012582335	1	48	0.0	-70.29	371.08	7.79	-62.50
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300012582336	0	48	0.0	-69.46	370.46	7.81	-61.65
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300012582336	1	48	0.0	-70.07	370.44	7.83	-62.24
C[N@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CCCC1	REAL300012582337	0	51	0.0	-70.71	393.11	8.79	-61.92
C[N@@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CCCC1	REAL300012582337	1	51	0.0	-70.68	393.34	8.75	-61.93
C[N@H+](CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CCCC1	REAL300012582338	0	52	0.0	-77.51	382.63	10.76	-66.75
C[N@@H+](CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CCCC1	REAL300012582338	1	52	0.0	-78.45	382.98	10.87	-67.58
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1CCCC1	REAL300012582339	0	45	0.0	-68.94	362.72	6.87	-62.07
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1CCCC1	REAL300012582339	1	45	0.0	-68.34	362.07	6.91	-61.43
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCCC1)C1CCCC1	REAL300012582340	0	51	0.0	-72.55	364.44	7.93	-64.62
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCCC1)C1CCCC1	REAL300012582340	1	51	0.0	-71.86	364.43	7.92	-63.94
C[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C1CCCC1	REAL300012582341	0	51	0.0	-52.73	408.58	11.04	-41.69
C[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C1CCCC1	REAL300012582341	1	51	0.0	-53.69	408.57	11.06	-42.63
C[N@H+](CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCCC1	REAL300012582342	0	55	0.0	-70.50	422.16	8.86	-61.64
C[N@@H+](CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCCC1	REAL300012582342	1	55	0.0	-71.87	422.39	8.81	-63.06
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCC[N@H+](C)C2CCCC2)=C1	REAL300012582343	0	59	0.0	-57.16	450.77	9.14	-48.02
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCC[N@@H+](C)C2CCCC2)=C1	REAL300012582343	1	59	0.0	-57.06	450.84	9.14	-47.92
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C1CCCC1	REAL300012582344	0	48	0.0	-66.17	391.75	8.43	-57.74
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C1CCCC1	REAL300012582344	1	48	0.0	-67.37	392.34	8.43	-58.94
C[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1CCCC1	REAL300012582345	0	51	0.0	-52.97	398.26	10.59	-42.38
C[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1CCCC1	REAL300012582345	1	51	0.0	-53.94	398.25	10.61	-43.33
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1CCCC1	REAL300012582346	0	52	0.0	-71.17	389.04	8.97	-62.20
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1CCCC1	REAL300012582346	1	52	0.0	-71.88	390.40	9.11	-62.77
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CCCC1	REAL300012582347	0	48	0.0	-70.99	381.94	7.95	-63.04
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CCCC1	REAL300012582347	1	48	0.0	-70.49	381.92	7.96	-62.53
C[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300012582348	0	51	0.0	-69.93	378.89	8.57	-61.36
C[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300012582348	1	51	0.0	-70.56	378.86	8.57	-61.99
CCCCCCC(C)(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582349	0	59	0.0	-68.11	425.03	9.19	-58.92
CCCCCCC(C)(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582349	1	59	0.0	-68.76	425.06	9.17	-59.59
CN(C(=O)NCC[N@H+](C)C1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012582350	0	54	0.0	-68.89	401.90	10.66	-58.23
CN(C(=O)NCC[N@@H+](C)C1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012582350	1	54	0.0	-69.55	402.43	10.75	-58.80
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCC1	REAL300012582351	0	48	0.0	-66.28	387.19	8.33	-57.95
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCC1	REAL300012582351	1	48	0.0	-67.56	387.77	8.32	-59.24
CN(C(=O)NCC[N@H+](C)C1CCCC1)C1(C(=O)[O-])CCCCC1	REAL300012582352	0	54	0.0	-73.70	373.68	9.25	-64.45
CN(C(=O)NCC[N@@H+](C)C1CCCC1)C1(C(=O)[O-])CCCCC1	REAL300012582352	1	54	0.0	-73.71	373.69	9.24	-64.47
C[N@H+](CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CCCC1	REAL300012582353	0	54	0.0	-55.82	414.26	11.30	-44.52
C[N@@H+](CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CCCC1	REAL300012582353	1	54	0.0	-56.80	414.24	11.32	-45.48
CN(C(=O)NCC[N@H+](C)C1CCCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012582354	0	51	0.0	-73.00	380.81	10.04	-62.96
CN(C(=O)NCC[N@@H+](C)C1CCCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012582354	1	51	0.0	-72.20	380.84	10.04	-62.16
COCCN(CC(=O)[O-])C(=O)NCC[N@H+](C)C1CCCC1	REAL300012582355	0	48	0.0	-56.43	364.21	6.72	-49.71
COCCN(CC(=O)[O-])C(=O)NCC[N@@H+](C)C1CCCC1	REAL300012582355	1	48	0.0	-55.44	364.24	6.71	-48.73
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1CCCC1	REAL300012582356	0	52	0.0	-74.05	385.99	8.89	-65.16
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1CCCC1	REAL300012582356	1	52	0.0	-74.19	386.09	8.91	-65.28
C[N@H+](CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCCC1	REAL300012582357	0	55	0.0	-77.71	427.25	8.68	-69.03
C[N@@H+](CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCCC1	REAL300012582357	1	55	0.0	-76.61	426.99	8.74	-67.87
C[N@H+](CCNC(=O)N1CCCCCC1C(=O)[O-])C1CCCC1	REAL300012582358	0	51	0.0	-69.76	358.75	8.92	-60.84
C[N@@H+](CCNC(=O)N1CCCCCC1C(=O)[O-])C1CCCC1	REAL300012582358	1	51	0.0	-70.81	358.73	8.93	-61.88
C[N@H+](CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CCCC1	REAL300012582359	0	54	0.0	-55.82	414.26	11.30	-44.52
C[N@@H+](CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CCCC1	REAL300012582359	1	54	0.0	-56.80	414.24	11.32	-45.48
C[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)C1CCCC1	REAL300012582360	0	51	0.0	-53.80	369.19	9.10	-44.70
C[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)C1CCCC1	REAL300012582360	1	51	0.0	-53.87	369.20	9.10	-44.77
CCCCCC(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582361	0	53	0.0	-69.00	399.40	8.06	-60.94
CCCCCC(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582361	1	53	0.0	-69.07	399.18	8.10	-60.97
CCC1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)(C(=O)[O-])CC1	REAL300012582362	0	57	0.0	-67.52	397.15	8.46	-59.06
CCC1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)(C(=O)[O-])CC1	REAL300012582362	1	57	0.0	-68.19	397.17	8.46	-59.73
C[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCOCC1)C1CCCC1	REAL300012582363	0	52	0.0	-54.29	377.63	7.42	-46.87
C[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CCOCC1)C1CCCC1	REAL300012582363	1	52	0.0	-55.38	377.62	7.44	-47.94
CN(C(=O)NCC[N@H+](C)C1CCCC1)C1(C(=O)[O-])CCCC1	REAL300012582364	0	51	0.0	-75.28	360.34	8.53	-66.75
CN(C(=O)NCC[N@@H+](C)C1CCCC1)C1(C(=O)[O-])CCCC1	REAL300012582364	1	51	0.0	-74.35	360.38	8.52	-65.83
CCC(C(=O)[O-])N(C(=O)NCC[N@H+](C)C1CCCC1)C1CC1	REAL300012582365	0	51	0.0	-69.92	366.69	9.16	-60.76
CCC(C(=O)[O-])N(C(=O)NCC[N@@H+](C)C1CCCC1)C1CC1	REAL300012582365	1	51	0.0	-56.76	371.94	9.22	-47.54
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1CCCC1	REAL300012582366	0	48	0.0	-71.89	383.04	8.23	-63.66
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1CCCC1	REAL300012582366	1	48	0.0	-71.83	381.82	8.27	-63.56
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1CCCC1	REAL300012582367	0	48	0.0	-75.90	375.49	7.88	-68.02
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1CCCC1	REAL300012582367	1	48	0.0	-76.43	375.47	7.89	-68.54
C[N@H+](CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1CCCC1	REAL300012582368	0	52	0.0	-58.35	386.00	10.22	-48.13
C[N@@H+](CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1CCCC1	REAL300012582368	1	52	0.0	-57.54	385.98	10.22	-47.32
C[N@H+](CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C1CCCC1	REAL300012582369	0	51	0.0	-74.31	408.77	9.03	-65.28
C[N@@H+](CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C1CCCC1	REAL300012582369	1	51	0.0	-73.57	407.23	9.01	-64.56
C[N@H+](CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C1CCCC1	REAL300012582370	0	57	0.0	-73.99	436.82	10.85	-63.14
C[N@@H+](CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C1CCCC1	REAL300012582370	1	57	0.0	-73.85	436.71	10.80	-63.05
C[N@H+](CCNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CCCC1	REAL300012582371	0	57	0.0	-69.86	415.02	8.99	-60.87
C[N@@H+](CCNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CCCC1	REAL300012582371	1	57	0.0	-69.97	415.03	9.00	-60.97
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@H+](C)C1CCCC1	REAL300012582372	0	54	0.0	-54.35	399.47	10.62	-43.73
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@@H+](C)C1CCCC1	REAL300012582372	1	54	0.0	-53.00	403.82	11.10	-41.90
CC1=CC=C(C(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])C=C1	REAL300012582373	0	51	0.0	-70.30	392.27	8.55	-61.75
CC1=CC=C(C(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])C=C1	REAL300012582373	1	51	0.0	-70.28	392.50	8.48	-61.80
C[N@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CCCC1	REAL300012582374	0	44	0.0	-63.62	350.61	6.48	-57.14
C[N@@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CCCC1	REAL300012582374	1	44	0.0	-63.16	350.60	6.50	-56.66
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CCCC1	REAL300012582375	0	54	0.0	-71.76	416.85	10.11	-61.65
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CCCC1	REAL300012582375	1	54	0.0	-71.66	417.06	10.06	-61.60
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCSCC1)C1CCCC1	REAL300012582376	0	49	0.0	-69.05	362.14	7.61	-61.44
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCSCC1)C1CCCC1	REAL300012582376	1	49	0.0	-68.47	362.11	7.62	-60.85
COCC(C)(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582377	0	48	0.0	-72.35	357.29	5.39	-66.96
COCC(C)(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582377	1	48	0.0	-72.93	357.31	5.36	-67.57
CCOCC(C(=O)[O-])N(C)C(=O)NCC[N@H+](C)C1CCCC1	REAL300012582378	0	51	0.0	-67.42	377.29	7.04	-60.38
CCOCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+](C)C1CCCC1	REAL300012582378	1	51	0.0	-68.11	377.93	7.12	-60.99
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@H+](C)C1CCCC1	REAL300012582379	0	57	0.0	-53.58	419.90	11.88	-41.70
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@@H+](C)C1CCCC1	REAL300012582379	1	57	0.0	-52.55	419.94	11.87	-40.68
C[N@H+](CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CCCC1	REAL300012582380	0	47	0.0	-55.13	372.49	8.67	-46.46
C[N@@H+](CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CCCC1	REAL300012582380	1	47	0.0	-56.16	372.47	8.67	-47.49
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCC1)C1CCCC1	REAL300012582381	0	54	0.0	-71.74	388.66	7.92	-63.82
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCC1)C1CCCC1	REAL300012582381	1	54	0.0	-70.12	387.98	8.00	-62.12
CN(C(=O)NCC[N@H+](C)C1CCCC1)C(COC1CCC1)C(=O)[O-]	REAL300012582382	0	55	0.0	-68.40	404.56	8.55	-59.85
CN(C(=O)NCC[N@@H+](C)C1CCCC1)C(COC1CCC1)C(=O)[O-]	REAL300012582382	1	55	0.0	-68.79	403.67	8.48	-60.31
C[N@H+](CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1CCCC1	REAL300012582383	0	55	0.0	-75.89	409.15	11.85	-64.04
C[N@@H+](CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1CCCC1	REAL300012582383	1	55	0.0	-76.05	409.14	11.84	-64.21
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCOCC1)C1CCCC1	REAL300012582384	0	49	0.0	-71.35	355.87	5.42	-65.93
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCOCC1)C1CCCC1	REAL300012582384	1	49	0.0	-72.22	355.85	5.44	-66.78
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@H+](C)C1CCCC1	REAL300012582385	0	54	0.0	-73.67	401.64	11.39	-62.28
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@@H+](C)C1CCCC1	REAL300012582385	1	54	0.0	-73.30	401.05	11.40	-61.90
COC1=CC=C(C(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])C=C1	REAL300012582386	0	52	0.0	-70.11	399.93	7.12	-62.99
COC1=CC=C(C(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])C=C1	REAL300012582386	1	52	0.0	-69.43	399.95	7.11	-62.32
CCC(COC)(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582387	0	51	0.0	-73.66	373.73	6.30	-67.36
CCC(COC)(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582387	1	51	0.0	-74.33	373.75	6.28	-68.05
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC[N@H+](C)C1CCCC1	REAL300012582388	0	54	0.0	-67.72	398.17	7.88	-59.84
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+](C)C1CCCC1	REAL300012582388	1	54	0.0	-68.19	398.20	7.88	-60.31
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CCCC1	REAL300012582389	0	51	0.0	-74.58	380.99	3.93	-70.65
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CCCC1	REAL300012582389	1	51	0.0	-73.93	380.97	3.92	-70.01
COCCC(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582390	0	48	0.0	-69.47	368.58	4.80	-64.67
COCCC(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582390	1	48	0.0	-70.07	368.60	4.77	-65.30
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC[N@H+](C)C1CCCC1	REAL300012582391	0	53	0.0	-66.40	383.73	9.10	-57.30
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC[N@@H+](C)C1CCCC1	REAL300012582391	1	53	0.0	-66.90	384.26	9.20	-57.70
C[N@H+](CCNC(=O)NC(CC(F)F)C(=O)[O-])C1CCCC1	REAL300012582392	0	44	0.0	-65.19	345.54	6.23	-58.96
C[N@@H+](CCNC(=O)NC(CC(F)F)C(=O)[O-])C1CCCC1	REAL300012582392	1	44	0.0	-64.13	345.28	6.31	-57.82
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+](C)C1CCCC1	REAL300012582393	0	54	0.0	-77.02	385.51	10.14	-66.88
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+](C)C1CCCC1	REAL300012582393	1	54	0.0	-77.66	385.53	10.15	-67.51
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@H+](C)C1CCCC1	REAL300012582394	0	54	0.0	-48.00	403.82	11.36	-36.64
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@@H+](C)C1CCCC1	REAL300012582394	1	54	0.0	-48.15	402.56	11.65	-36.50
CCC(NC(=O)NCC[N@H+](C)C1CCCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012582395	0	54	0.0	-67.79	412.57	10.00	-57.79
CCC(NC(=O)NCC[N@@H+](C)C1CCCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012582395	1	54	0.0	-68.40	412.59	9.98	-58.42
CCC(NC(=O)NCC[N@H+](C)C1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012582396	0	54	0.0	-70.71	395.84	9.48	-61.23
CCC(NC(=O)NCC[N@@H+](C)C1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012582396	1	54	0.0	-71.29	395.86	9.46	-61.83
COC1CCCC(C(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])C1	REAL300012582397	0	58	0.0	-73.94	420.42	7.01	-66.93
COC1CCCC(C(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])C1	REAL300012582397	1	58	0.0	-75.55	421.12	6.92	-68.63
COC1(CC(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])CCC1	REAL300012582398	0	55	0.0	-71.73	405.30	7.08	-64.65
COC1(CC(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])CCC1	REAL300012582398	1	55	0.0	-71.63	406.66	6.73	-64.90
C[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCOCC1)C1CCCC1	REAL300012582399	0	52	0.0	-54.29	377.63	7.42	-46.87
C[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CCOCC1)C1CCCC1	REAL300012582399	1	52	0.0	-55.38	377.62	7.44	-47.94
C[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCCCC1)C1CCCC1	REAL300012582400	0	54	0.0	-54.24	386.57	9.80	-44.44
C[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CCCCC1)C1CCCC1	REAL300012582400	1	54	0.0	-55.29	386.56	9.80	-45.49
C[C@H]1CC[C@@](NC(=O)NCC[N@H+](C)C2CCCC2)(C(=O)[O-])CC1	REAL300012582401	0	54	0.0	-72.78	378.22	8.31	-64.47
C[C@H]1CC[C@@](NC(=O)NCC[N@@H+](C)C2CCCC2)(C(=O)[O-])CC1	REAL300012582401	1	54	0.0	-72.76	379.91	8.27	-64.49
COC1=CC=CC(C(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])=C1	REAL300012582402	0	52	0.0	-72.21	400.35	7.16	-65.05
COC1=CC=CC(C(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])=C1	REAL300012582402	1	52	0.0	-72.68	400.37	7.16	-65.52
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)C1CCCC1	REAL300012582403	0	48	0.0	-70.99	386.22	8.28	-62.71
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)C1CCCC1	REAL300012582403	1	48	0.0	-71.59	386.21	8.27	-63.32
C[N@H+](CCNC(=O)NC(C)(CCF)C(=O)[O-])C1CCCC1	REAL300012582404	0	47	0.0	-65.72	345.66	6.22	-59.50
C[N@@H+](CCNC(=O)NC(C)(CCF)C(=O)[O-])C1CCCC1	REAL300012582404	1	47	0.0	-65.12	345.63	6.24	-58.88
C[N@H+](CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1CCCC1	REAL300012582405	0	49	0.0	-60.92	368.42	8.40	-52.52
C[N@@H+](CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1CCCC1	REAL300012582405	1	49	0.0	-60.60	367.82	8.28	-52.32
C[N@H+](CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1CCCC1	REAL300012582406	0	45	0.0	-69.65	347.43	7.49	-62.16
C[N@@H+](CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1CCCC1	REAL300012582406	1	45	0.0	-69.19	347.42	7.48	-61.71
COC1=CC=CC([C@H](NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])=C1	REAL300012582407	0	52	0.0	-73.11	400.56	7.08	-66.03
COC1=CC=CC([C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])=C1	REAL300012582407	1	52	0.0	-72.52	400.58	7.09	-65.43
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC[N@H+](C)C2CCCC2)C1	REAL300012582408	0	54	0.0	-76.79	399.89	9.55	-67.24
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC[N@@H+](C)C2CCCC2)C1	REAL300012582408	1	54	0.0	-76.81	399.90	9.54	-67.27
COC1=CC=CC(CC(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])=C1	REAL300012582409	0	55	0.0	-73.87	422.79	8.04	-65.83
COC1=CC=CC(CC(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])=C1	REAL300012582409	1	55	0.0	-74.00	422.56	8.10	-65.90
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1CCCC1	REAL300012582410	0	57	0.0	-73.64	392.38	8.80	-64.84
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1CCCC1	REAL300012582410	1	57	0.0	-72.94	392.36	8.80	-64.14
C[N@H+](CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1CCCC1	REAL300012582411	0	54	0.0	-68.06	413.22	9.44	-58.62
C[N@@H+](CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1CCCC1	REAL300012582411	1	54	0.0	-67.38	413.19	9.45	-57.93
C[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C1CCCC1	REAL300012582412	0	53	0.0	-74.56	407.12	9.23	-65.33
C[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C1CCCC1	REAL300012582412	1	53	0.0	-74.08	407.09	9.26	-64.82
COC1CN(C(=O)NCC[N@H+](C)C2CCCC2)C(C)(C(=O)[O-])C1	REAL300012582413	0	52	0.0	-74.71	384.06	7.15	-67.56
COC1CN(C(=O)NCC[N@@H+](C)C2CCCC2)C(C)(C(=O)[O-])C1	REAL300012582413	1	52	0.0	-75.44	384.08	7.15	-68.29
C[N@H+](CCNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1CCCC1	REAL300012582414	0	55	0.0	-69.40	406.32	6.55	-62.85
C[N@@H+](CCNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1CCCC1	REAL300012582414	1	55	0.0	-68.27	406.06	6.61	-61.66
C=C(Cl)CC(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582415	0	45	0.0	-65.74	363.40	6.83	-58.91
C=C(Cl)CC(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582415	1	45	0.0	-65.25	363.38	6.86	-58.39
C[N@H+](CCNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1CCCC1	REAL300012582416	0	49	0.0	-82.30	355.76	9.07	-73.23
C[N@@H+](CCNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1CCCC1	REAL300012582416	1	49	0.0	-82.36	355.45	9.08	-73.28
C[N@H+](CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1CCCC1	REAL300012582417	0	54	0.0	-68.76	402.89	8.99	-59.77
C[N@@H+](CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1CCCC1	REAL300012582417	1	54	0.0	-68.00	402.86	9.00	-59.00
C[N@H+](CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CCCC1	REAL300012582418	0	45	0.0	-68.70	346.65	7.79	-60.91
C[N@@H+](CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CCCC1	REAL300012582418	1	45	0.0	-69.72	347.47	7.47	-62.25
C[N@H+](CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCC1	REAL300012582419	0	45	0.0	-72.61	341.69	7.70	-64.91
C[N@@H+](CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCC1	REAL300012582419	1	45	0.0	-73.77	340.91	7.40	-66.37
C[N@H+](CCNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1CCCC1	REAL300012582420	0	55	0.0	-70.29	402.18	7.18	-63.11
C[N@@H+](CCNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1CCCC1	REAL300012582420	1	55	0.0	-69.05	401.92	7.26	-61.79
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)C1CCCC1	REAL300012582421	0	52	0.0	-72.41	378.85	5.57	-66.84
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)C1CCCC1	REAL300012582421	1	52	0.0	-73.53	379.98	5.50	-68.03
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300012582422	0	48	0.0	-69.46	370.46	7.81	-61.65
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300012582422	1	48	0.0	-70.07	370.44	7.83	-62.24
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CCCC1	REAL300012582423	0	51	0.0	-69.89	409.84	8.78	-61.11
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CCCC1	REAL300012582423	1	51	0.0	-69.59	409.54	8.87	-60.72
C[N@H+](CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1CCCC1	REAL300012582424	0	47	0.0	-66.90	379.06	5.90	-61.00
C[N@@H+](CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1CCCC1	REAL300012582424	1	47	0.0	-68.36	379.87	5.91	-62.45
CC(C)CCCC(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582425	0	56	0.0	-68.47	416.73	8.63	-59.84
CC(C)CCCC(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582425	1	56	0.0	-69.11	416.75	8.62	-60.49
C[N@H+](CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1CCCC1	REAL300012582426	0	54	0.0	-68.94	423.22	9.13	-59.81
C[N@@H+](CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1CCCC1	REAL300012582426	1	54	0.0	-68.32	423.21	9.14	-59.18
C[N@H+](CCNC(=O)NC(CC1CCCO1)C(=O)[O-])C1CCCC1	REAL300012582427	0	52	0.0	-73.21	390.87	6.18	-67.03
C[N@@H+](CCNC(=O)NC(CC1CCCO1)C(=O)[O-])C1CCCC1	REAL300012582427	1	52	0.0	-72.67	390.86	6.17	-66.50
CSCC(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582428	0	45	0.0	-66.00	358.36	6.14	-59.86
CSCC(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582428	1	45	0.0	-66.53	358.39	6.13	-60.40
C[N@H+](CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CCCC1	REAL300012582429	0	51	0.0	-68.75	399.47	8.87	-59.88
C[N@@H+](CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CCCC1	REAL300012582429	1	51	0.0	-68.22	399.45	8.87	-59.35
CCC(C)CC(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582430	0	53	0.0	-69.14	391.72	7.75	-61.39
CCC(C)CC(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582430	1	53	0.0	-70.35	391.99	7.67	-62.68
C=CCCCC(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582431	0	51	0.0	-69.24	390.50	7.88	-61.36
C=CCCCC(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582431	1	51	0.0	-69.14	390.71	7.84	-61.30
C[N@H+](CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CCCC1	REAL300012582432	0	51	0.0	-68.65	399.73	8.79	-59.86
C[N@@H+](CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CCCC1	REAL300012582432	1	51	0.0	-69.30	399.69	8.80	-60.50
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C1CCCC1	REAL300012582433	0	54	0.0	-73.02	410.88	9.97	-63.05
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C1CCCC1	REAL300012582433	1	54	0.0	-67.90	411.28	10.20	-57.70
C[N@H+](CCNC(=O)N1CCSCC1C(=O)[O-])C1CCCC1	REAL300012582434	0	46	0.0	-75.16	344.58	8.65	-66.51
C[N@@H+](CCNC(=O)N1CCSCC1C(=O)[O-])C1CCCC1	REAL300012582434	1	46	0.0	-75.73	344.82	8.76	-66.97
C[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300012582435	0	51	0.0	-69.93	378.89	8.57	-61.36
C[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300012582435	1	51	0.0	-70.56	378.86	8.57	-61.99
C[N@H+](CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1CCCC1	REAL300012582436	0	49	0.0	-80.02	355.00	9.19	-70.83
C[N@@H+](CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1CCCC1	REAL300012582436	1	49	0.0	-80.19	354.99	9.18	-71.01
C[N@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCCC1	REAL300012582437	0	44	0.0	-65.25	347.48	8.03	-57.22
C[N@@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCCC1	REAL300012582437	1	44	0.0	-65.00	347.45	8.05	-56.95
C[N@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCCC1	REAL300012582438	0	44	0.0	-65.25	347.48	8.03	-57.22
C[N@@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCCC1	REAL300012582438	1	44	0.0	-65.00	347.45	8.05	-56.95
C[N@H+](CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1CCCC1	REAL300012582439	0	57	0.0	-55.57	421.20	6.00	-49.57
C[N@@H+](CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1CCCC1	REAL300012582439	1	57	0.0	-56.70	421.18	6.00	-50.70
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[N@H+](C)C2CCCC2)CC1	REAL300012582440	1	61	0.0	-55.35	446.37	5.88	-49.47
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[N@@H+](C)C2CCCC2)CC1	REAL300012582440	1	61	0.0	-56.38	446.39	5.88	-50.50
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@@H+](C)C1CCCC1	REAL300012582441	0	52	0.0	-49.95	388.01	10.65	-39.30
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@H+](C)C1CCCC1	REAL300012582441	1	52	0.0	-51.06	387.99	10.65	-40.41
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC[N@H+](C)C2CCCC2)[C@H]1C(=O)[O-]	REAL300012582442	0	55	0.0	-61.56	397.58	10.77	-50.79
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC[N@@H+](C)C2CCCC2)[C@H]1C(=O)[O-]	REAL300012582442	1	55	0.0	-60.79	397.60	10.77	-50.02
C[N@H+](CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C1CCCC1	REAL300012582443	0	53	0.0	-69.47	390.89	8.95	-60.52
C[N@@H+](CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C1CCCC1	REAL300012582443	1	53	0.0	-70.08	390.87	8.96	-61.12
C[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300012582444	0	48	0.0	-70.26	370.86	7.86	-62.40
C[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300012582444	1	48	0.0	-70.29	371.08	7.79	-62.50
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CCCC1	REAL300012582445	0	51	0.0	-66.53	409.60	8.88	-57.65
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CCCC1	REAL300012582445	1	51	0.0	-66.47	409.81	8.81	-57.66
C[N@H+](CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1CCCC1	REAL300012582446	0	53	0.0	-71.51	410.97	7.81	-63.70
C[N@@H+](CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1CCCC1	REAL300012582446	1	53	0.0	-71.39	411.19	7.75	-63.64
C[N@H+](CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1CCCC1	REAL300012582447	0	47	0.0	-72.73	379.87	5.73	-67.00
C[N@@H+](CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1CCCC1	REAL300012582447	1	47	0.0	-72.21	379.86	5.74	-66.47
C[N@H+](CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1CCCC1	REAL300012582448	0	48	0.0	-66.00	399.39	7.54	-58.46
C[N@@H+](CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1CCCC1	REAL300012582448	1	48	0.0	-66.67	399.37	7.54	-59.13
C[N@H+](CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1CCCC1	REAL300012582449	0	48	0.0	-85.22	364.18	5.19	-80.03
C[N@@H+](CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1CCCC1	REAL300012582449	1	48	0.0	-85.35	364.17	5.20	-80.15
CN1CC(C(=O)[O-])N(C(=O)NCC[N@H+](C)C2CCCC2)CC1=O	REAL300012582450	0	49	0.0	-69.96	361.93	6.88	-63.08
CN1CC(C(=O)[O-])N(C(=O)NCC[N@@H+](C)C2CCCC2)CC1=O	REAL300012582450	1	49	0.0	-69.84	361.94	6.88	-62.96
C[N@H+](CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300012582451	0	48	0.0	-69.45	370.46	7.81	-61.64
C[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300012582451	1	48	0.0	-70.11	370.43	7.81	-62.30
C[N@H+](CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1CCCC1	REAL300012582452	0	51	0.0	-68.36	384.89	7.15	-61.21
C[N@@H+](CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1CCCC1	REAL300012582452	1	51	0.0	-71.39	380.52	7.12	-64.27
C[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)C1CCCC1	REAL300012582453	0	51	0.0	-53.80	369.19	9.10	-44.70
C[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)C1CCCC1	REAL300012582453	1	51	0.0	-53.87	369.20	9.10	-44.77
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1CCCC1	REAL300012582454	0	49	0.0	-77.33	366.59	3.62	-73.71
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1CCCC1	REAL300012582454	1	49	0.0	-78.10	366.58	3.62	-74.48
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582455	0	57	0.0	-72.03	418.36	6.97	-65.06
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582455	1	57	0.0	-69.64	415.37	6.90	-62.74
CC1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)(C(=O)[O-])C1	REAL300012582456	0	51	0.0	-71.98	370.97	7.47	-64.51
CC1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)(C(=O)[O-])C1	REAL300012582456	1	51	0.0	-72.64	371.00	7.46	-65.18
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1CCCC1	REAL300012582457	0	54	0.0	-73.16	378.86	8.07	-65.09
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1CCCC1	REAL300012582457	1	54	0.0	-72.66	380.44	8.19	-64.47
COCCC(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582458	0	48	0.0	-69.47	368.58	4.80	-64.67
COCCC(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582458	1	48	0.0	-70.07	368.60	4.77	-65.30
CN(C(=O)NCC[N@H+](C)C1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012582459	0	54	0.0	-68.89	401.90	10.66	-58.23
CN(C(=O)NCC[N@@H+](C)C1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012582459	1	54	0.0	-69.55	402.43	10.75	-58.80
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CCCC1	REAL300012582460	0	51	0.0	-73.35	372.25	8.12	-65.23
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CCCC1	REAL300012582460	1	51	0.0	-74.11	372.24	8.13	-65.98
CC1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012582461	0	58	0.0	-74.08	419.86	10.16	-63.92
CC1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012582461	1	58	0.0	-73.16	419.76	10.11	-63.05
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582462	0	57	0.0	-70.84	419.45	6.95	-63.89
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582462	1	57	0.0	-70.66	418.78	7.01	-63.65
C[N@H+](CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1CCCC1	REAL300012582463	0	56	0.0	-61.47	413.13	11.32	-50.15
C[N@@H+](CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1CCCC1	REAL300012582463	1	56	0.0	-59.44	413.25	11.35	-48.09
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCOC1)C1CCCC1	REAL300012582464	0	49	0.0	-69.96	361.70	4.76	-65.20
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCOC1)C1CCCC1	REAL300012582464	1	49	0.0	-69.27	361.68	4.76	-64.51
C[N@H+](CCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1CCCC1	REAL300012582465	0	49	0.0	-78.23	355.78	8.77	-69.46
C[N@@H+](CCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1CCCC1	REAL300012582465	1	49	0.0	-79.13	355.39	8.76	-70.37
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1CCCC1	REAL300012582466	0	52	0.0	-78.66	403.00	7.87	-70.79
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1CCCC1	REAL300012582466	1	52	0.0	-77.20	402.76	7.93	-69.27
C[N@H+](CCNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1CCCC1	REAL300012582467	0	47	0.0	-76.12	348.32	6.45	-69.67
C[N@@H+](CCNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1CCCC1	REAL300012582467	1	47	0.0	-75.99	348.30	6.46	-69.53
CC1CCC(C(=O)[O-])N(C(=O)NCC[N@H+](C)C2CCCC2)C1	REAL300012582468	0	51	0.0	-77.46	366.03	9.52	-67.94
CC1CCC(C(=O)[O-])N(C(=O)NCC[N@@H+](C)C2CCCC2)C1	REAL300012582468	1	51	0.0	-77.45	366.04	9.52	-67.93
CC(C1=CC=CC=C1)C(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582469	0	54	0.0	-68.98	407.32	9.05	-59.93
CC(C1=CC=CC=C1)C(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582469	1	54	0.0	-70.09	410.08	9.13	-60.96
C[N@H+](CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CCCC1	REAL300012582470	0	55	0.0	-69.34	407.61	8.86	-60.48
C[N@@H+](CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CCCC1	REAL300012582470	1	55	0.0	-69.21	403.13	9.53	-59.68
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1CCCC1	REAL300012582471	0	61	0.0	-71.80	428.30	8.57	-63.23
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1CCCC1	REAL300012582471	1	61	0.0	-70.89	428.31	8.50	-62.39
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCC1)C1CCCC1	REAL300012582472	0	54	0.0	-71.74	388.66	7.92	-63.82
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCC1)C1CCCC1	REAL300012582472	1	54	0.0	-70.12	387.98	8.00	-62.12
C[N@H+](CCNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1CCCC1	REAL300012582473	0	55	0.0	-68.50	406.92	7.51	-60.99
C[N@@H+](CCNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1CCCC1	REAL300012582473	1	55	0.0	-72.64	408.28	6.90	-65.74
C[N@H+](CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1CCCC1	REAL300012582474	0	55	0.0	-48.88	380.77	9.46	-39.42
C[N@@H+](CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1CCCC1	REAL300012582474	1	55	0.0	-47.65	380.75	9.47	-38.18
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1CCCC1	REAL300012582475	0	55	0.0	-73.25	384.96	6.74	-66.51
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1CCCC1	REAL300012582475	1	55	0.0	-72.50	384.95	6.76	-65.74
C[N@H+](CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1CCCC1	REAL300012582476	0	54	0.0	-71.19	431.30	10.05	-61.14
C[N@@H+](CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1CCCC1	REAL300012582476	1	54	0.0	-71.12	431.52	10.00	-61.12
CC1=CC=CC2=C1CCN(C(=O)NCC[N@@H+](C)C1CCCC1)C2C(=O)[O-]	REAL300012582477	0	55	0.0	-83.10	399.04	11.25	-71.85
CC1=CC=CC2=C1CCN(C(=O)NCC[N@H+](C)C1CCCC1)C2C(=O)[O-]	REAL300012582477	1	55	0.0	-60.53	403.41	10.77	-49.76
C[N@H+](CCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1CCCC1	REAL300012582478	0	49	0.0	-51.03	356.71	8.64	-42.39
C[N@@H+](CCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1CCCC1	REAL300012582478	1	49	0.0	-50.43	357.57	8.57	-41.86
C[N@H+](CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CCCC1	REAL300012582479	0	55	0.0	-69.34	407.61	8.86	-60.48
C[N@@H+](CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CCCC1	REAL300012582479	1	55	0.0	-69.21	403.13	9.53	-59.68
C[N@H+](CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCCC1	REAL300012582480	0	51	0.0	-72.87	399.77	8.80	-64.07
C[N@@H+](CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCCC1	REAL300012582480	1	51	0.0	-72.33	399.75	8.81	-63.52
COC1CC(NC(=O)NCC[N@H+](C)C2CCCC2)(C(=O)[O-])C1	REAL300012582481	0	49	0.0	-75.32	369.40	5.39	-69.93
COC1CC(NC(=O)NCC[N@@H+](C)C2CCCC2)(C(=O)[O-])C1	REAL300012582481	1	49	0.0	-75.90	369.41	5.40	-70.50
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1CCCC1	REAL300012582482	0	45	0.0	-71.88	344.48	6.46	-65.42
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1CCCC1	REAL300012582482	1	45	0.0	-65.37	348.42	6.74	-58.63
CO[C@H]1C[C@](NC(=O)NCC[N@H+](C)C2CCCC2)(C(=O)[O-])C1	REAL300012582483	0	49	0.0	-68.69	367.50	5.31	-63.38
CO[C@H]1C[C@](NC(=O)NCC[N@@H+](C)C2CCCC2)(C(=O)[O-])C1	REAL300012582483	1	49	0.0	-69.32	367.63	5.29	-64.03
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1CCCC1	REAL300012582484	0	48	0.0	-67.31	376.16	7.19	-60.12
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1CCCC1	REAL300012582484	1	48	0.0	-68.17	376.15	7.20	-60.97
CCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+](C)C1CCCC1	REAL300012582485	0	51	0.0	-76.80	364.05	9.42	-67.38
CCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+](C)C1CCCC1	REAL300012582485	1	51	0.0	-77.31	364.07	9.41	-67.90
C[N@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CCCC1	REAL300012582486	0	44	0.0	-63.62	350.61	6.48	-57.14
C[N@@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CCCC1	REAL300012582486	1	44	0.0	-63.16	350.60	6.50	-56.66
C[N@H+](CCNC(=O)NC(CC1CCOC1)C(=O)[O-])C1CCCC1	REAL300012582487	0	52	0.0	-72.24	388.73	5.72	-66.52
C[N@@H+](CCNC(=O)NC(CC1CCOC1)C(=O)[O-])C1CCCC1	REAL300012582487	1	52	0.0	-68.96	386.60	5.45	-63.51
C[N@H+](CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1CCCC1	REAL300012582488	0	48	0.0	-70.17	385.23	7.79	-62.38
C[N@@H+](CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1CCCC1	REAL300012582488	1	48	0.0	-70.11	384.38	7.82	-62.29
COCC(NC(=O)NCC[N@H+](C)C1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012582489	0	55	0.0	-68.97	412.05	7.80	-61.17
COCC(NC(=O)NCC[N@@H+](C)C1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012582489	1	55	0.0	-69.47	412.07	7.78	-61.69
C[N@H+](CCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1CCCC1	REAL300012582490	0	49	0.0	-76.93	356.92	8.39	-68.54
C[N@@H+](CCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1CCCC1	REAL300012582490	1	49	0.0	-76.92	357.04	8.19	-68.73
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@H+](C)C1CCCC1	REAL300012582491	0	54	0.0	-48.00	403.82	11.36	-36.64
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@@H+](C)C1CCCC1	REAL300012582491	1	54	0.0	-48.15	402.56	11.65	-36.50
C[N@H+](CCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])C1CCCC1	REAL300012582492	0	55	0.0	-72.67	432.31	8.38	-64.29
C[N@@H+](CCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])C1CCCC1	REAL300012582492	1	55	0.0	-73.88	432.53	8.33	-65.55
C[N@H+](CCNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CCCC1	REAL300012582493	0	57	0.0	-69.86	415.02	8.99	-60.87
C[N@@H+](CCNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CCCC1	REAL300012582493	1	57	0.0	-69.97	415.03	9.00	-60.97
C[N@H+](CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1CCCC1	REAL300012582494	0	54	0.0	-70.18	416.33	9.51	-60.67
C[N@@H+](CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1CCCC1	REAL300012582494	1	54	0.0	-70.25	415.48	9.52	-60.73
C[N@H+](CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1CCCC1	REAL300012582495	0	54	0.0	-70.35	416.09	9.57	-60.78
C[N@@H+](CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1CCCC1	REAL300012582495	1	54	0.0	-69.71	416.07	9.57	-60.14
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1CCCC1	REAL300012582496	0	55	0.0	-72.09	397.20	8.35	-63.74
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1CCCC1	REAL300012582496	1	55	0.0	-71.42	397.19	8.37	-63.05
C[N@H+](CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1CCCC1	REAL300012582497	0	57	0.0	-69.86	415.01	8.98	-60.88
C[N@@H+](CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1CCCC1	REAL300012582497	1	57	0.0	-69.65	415.24	8.93	-60.72
C[N@H+](CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1CCCC1	REAL300012582498	0	57	0.0	-69.68	415.26	8.93	-60.75
C[N@@H+](CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1CCCC1	REAL300012582498	1	57	0.0	-69.97	415.00	8.99	-60.98
C[N@H+](CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1CCCC1	REAL300012582499	0	55	0.0	-49.75	396.37	9.54	-40.21
C[N@@H+](CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1CCCC1	REAL300012582499	1	55	0.0	-50.98	396.35	9.55	-41.43
C[N@H+](CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1CCCC1	REAL300012582500	0	55	0.0	-77.35	391.20	9.40	-67.95
C[N@@H+](CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1CCCC1	REAL300012582500	1	55	0.0	-76.62	393.43	9.54	-67.08
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)C1CCCC1	REAL300012582501	0	55	0.0	-73.73	434.82	8.35	-65.38
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)C1CCCC1	REAL300012582501	1	55	0.0	-74.30	434.80	8.36	-65.94
COC1=CC=C(CC(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])C=C1	REAL300012582502	0	55	0.0	-71.57	422.83	8.05	-63.52
COC1=CC=C(CC(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])C=C1	REAL300012582502	1	55	0.0	-72.18	422.85	8.02	-64.16
C=CCSCC(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582503	0	49	0.0	-67.06	392.90	7.51	-59.55
C=CCSCC(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582503	1	49	0.0	-66.00	392.64	7.60	-58.40
C[N@H+](CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C1CCCC1	REAL300012582504	0	52	0.0	-70.12	413.95	9.18	-60.94
C[N@@H+](CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C1CCCC1	REAL300012582504	1	52	0.0	-70.21	414.17	9.14	-61.07
C[N@H+](CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C1CCCC1	REAL300012582505	0	55	0.0	-83.73	432.75	8.78	-74.95
C[N@@H+](CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C1CCCC1	REAL300012582505	1	55	0.0	-83.05	432.72	8.79	-74.26
COC1(C(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])CCC1	REAL300012582506	0	52	0.0	-66.76	381.85	5.36	-61.40
COC1(C(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])CCC1	REAL300012582506	1	52	0.0	-66.06	381.87	5.35	-60.71
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C1CCCC1	REAL300012582507	0	54	0.0	-70.16	396.04	8.72	-61.44
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C1CCCC1	REAL300012582507	1	54	0.0	-69.38	396.05	8.73	-60.65
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C1CCCC1	REAL300012582508	0	55	0.0	-72.46	402.41	9.84	-62.62
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C1CCCC1	REAL300012582508	1	55	0.0	-71.84	402.38	9.86	-61.98
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1CCCC1	REAL300012582509	0	48	0.0	-75.85	367.88	7.26	-68.59
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1CCCC1	REAL300012582509	1	48	0.0	-69.18	369.99	7.32	-61.86
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCCC1	REAL300012582511	0	60	0.0	-69.09	446.66	10.13	-58.96
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCCC1	REAL300012582511	1	60	0.0	-69.41	447.05	10.20	-59.21
CC(C)C1=CC=C(C(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])C=C1	REAL300012582512	0	57	0.0	-70.45	431.26	9.73	-60.72
CC(C)C1=CC=C(C(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])C=C1	REAL300012582512	1	57	0.0	-69.05	430.69	9.74	-59.31
C[N@H+](CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCC1	REAL300012582513	0	45	0.0	-72.61	341.69	7.70	-64.91
C[N@@H+](CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCC1	REAL300012582513	1	45	0.0	-73.77	340.91	7.40	-66.37
C[N@H+](CCNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1CCCC1	REAL300012582514	0	47	0.0	-50.60	349.05	8.49	-42.11
C[N@@H+](CCNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1CCCC1	REAL300012582514	1	47	0.0	-51.08	349.76	8.46	-42.62
C[N@H+](CCNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1CCCC1	REAL300012582515	0	51	0.0	-75.07	366.01	8.57	-66.50
C[N@@H+](CCNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1CCCC1	REAL300012582515	1	51	0.0	-75.85	365.98	8.59	-67.26
CCOC1=CC=C(C(NC(=O)NCC[N@H+](C)C2CCCC2)C(=O)[O-])C=C1	REAL300012582516	0	55	0.0	-70.00	422.41	8.02	-61.98
CCOC1=CC=C(C(NC(=O)NCC[N@@H+](C)C2CCCC2)C(=O)[O-])C=C1	REAL300012582516	1	55	0.0	-69.27	421.81	8.03	-61.24
C[N@H+](CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1CCCC1	REAL300012582517	0	55	0.0	-76.62	390.21	10.31	-66.31
C[N@@H+](CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1CCCC1	REAL300012582517	1	55	0.0	-76.39	390.20	10.30	-66.09
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C1CCCC1	REAL300012582518	0	55	0.0	-71.04	405.81	9.32	-61.72
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C1CCCC1	REAL300012582518	1	55	0.0	-69.25	411.49	9.68	-59.57
C[N@H+](CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1CCCC1	REAL300012582519	0	55	0.0	-74.16	413.52	8.84	-65.32
C[N@@H+](CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1CCCC1	REAL300012582519	1	55	0.0	-74.97	413.50	8.84	-66.13
C[N@H+](CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1CCCC1	REAL300012582520	0	51	0.0	-73.24	407.32	8.72	-64.52
C[N@@H+](CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1CCCC1	REAL300012582520	1	51	0.0	-73.87	407.30	8.73	-65.14
CC(C)CCC(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582521	0	53	0.0	-69.19	395.47	7.80	-61.39
CC(C)CCC(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582521	1	53	0.0	-69.76	395.49	7.77	-61.99
C[N@H+](CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1CCCC1	REAL300012582522	0	52	0.0	-50.64	380.58	9.12	-41.52
C[N@@H+](CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1CCCC1	REAL300012582522	1	52	0.0	-51.10	381.37	9.08	-42.02
C[N@H+](CCNC(=O)NC(CC1CCOC1)C(=O)[O-])C1CCCC1	REAL300012582523	0	52	0.0	-72.24	388.73	5.72	-66.52
C[N@@H+](CCNC(=O)NC(CC1CCOC1)C(=O)[O-])C1CCCC1	REAL300012582523	1	52	0.0	-68.96	386.60	5.45	-63.51
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+](C)C2CCCC2)C1	REAL300012582524	0	49	0.0	-73.51	376.76	8.81	-64.70
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+](C)C2CCCC2)C1	REAL300012582524	1	49	0.0	-72.58	376.97	8.82	-63.76
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1CCCC1	REAL300012582525	0	52	0.0	-73.71	370.29	8.57	-65.14
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1CCCC1	REAL300012582525	1	52	0.0	-74.61	370.27	8.57	-66.04
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC2CC21)C1CCCC1	REAL300012582526	0	49	0.0	-73.46	357.42	7.65	-65.81
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC2CC21)C1CCCC1	REAL300012582526	1	49	0.0	-74.34	357.40	7.66	-66.68
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1CCCC1	REAL300012582527	0	52	0.0	-71.96	378.67	8.05	-63.91
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1CCCC1	REAL300012582527	1	52	0.0	-72.11	378.56	8.07	-64.04
CN(C(=O)NCC[N@H+](C)C1CCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012582528	0	54	0.0	-69.90	403.86	10.69	-59.21
CN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012582528	1	54	0.0	-70.58	403.96	10.70	-59.88
C[N@H+](CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1CCCC1	REAL300012582529	0	58	0.0	-50.28	412.04	10.03	-40.25
C[N@@H+](CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1CCCC1	REAL300012582529	1	58	0.0	-51.47	412.03	10.03	-41.44
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCC1)C1CCCC1	REAL300012582530	0	51	0.0	-70.27	376.71	7.43	-62.84
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCC1)C1CCCC1	REAL300012582530	1	51	0.0	-69.45	371.07	7.30	-62.15
CO[C@H](C)[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582531	0	48	0.0	-70.54	364.77	5.03	-65.51
CO[C@H](C)[C@H](NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582531	1	48	0.0	-69.79	364.79	5.02	-64.77
C[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1CCCC1	REAL300012582532	0	51	0.0	-54.63	391.85	10.52	-44.11
C[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1CCCC1	REAL300012582532	1	51	0.0	-55.64	391.83	10.54	-45.10
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)C1CCCC1	REAL300012582533	0	58	0.0	-70.58	445.25	11.19	-59.39
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)C1CCCC1	REAL300012582533	1	58	0.0	-70.23	445.02	11.28	-58.95
C[N@H+](CCNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1CCCC1	REAL300012582534	0	51	0.0	-50.79	373.55	8.42	-42.37
C[N@@H+](CCNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1CCCC1	REAL300012582534	1	51	0.0	-49.61	373.53	8.43	-41.18
C[N@H+](CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C1CCCC1	REAL300012582535	0	52	0.0	-54.26	398.16	10.21	-44.05
C[N@@H+](CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C1CCCC1	REAL300012582535	1	52	0.0	-56.80	397.99	10.21	-46.59
C[N@H+](CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1CCCC1	REAL300012582536	0	48	0.0	-75.11	355.86	8.72	-66.39
C[N@@H+](CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1CCCC1	REAL300012582536	1	48	0.0	-75.21	355.87	8.80	-66.41
C[N@H+](CCNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1CCCC1	REAL300012582537	0	45	0.0	-78.44	345.36	7.76	-70.68
C[N@@H+](CCNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1CCCC1	REAL300012582537	1	45	0.0	-79.27	345.33	7.77	-71.50
C[N@H+](CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCCC1	REAL300012582538	0	51	0.0	-72.87	399.77	8.80	-64.07
C[N@@H+](CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCCC1	REAL300012582538	1	51	0.0	-72.33	399.75	8.81	-63.52
C[N@H+](CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1CCCC1	REAL300012582539	0	48	0.0	-68.97	383.93	7.70	-61.27
C[N@@H+](CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1CCCC1	REAL300012582539	1	48	0.0	-70.25	384.16	7.66	-62.59
C[N@H+](CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1CCCC1	REAL300012582540	0	48	0.0	-68.09	362.87	8.29	-59.80
C[N@@H+](CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1CCCC1	REAL300012582540	1	48	0.0	-68.70	362.85	8.30	-60.40
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1CCCC1	REAL300012582541	0	52	0.0	-73.21	398.08	8.47	-64.74
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1CCCC1	REAL300012582541	1	52	0.0	-72.72	398.09	8.46	-64.26
C[N@H+](CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1CCCC1	REAL300012582542	0	56	0.0	-73.54	423.43	10.10	-63.44
C[N@@H+](CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1CCCC1	REAL300012582542	1	56	0.0	-74.35	421.92	10.09	-64.26
C[N@H+](CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1CCCC1	REAL300012582543	0	48	0.0	-68.97	383.93	7.70	-61.27
C[N@@H+](CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1CCCC1	REAL300012582543	1	48	0.0	-70.25	384.16	7.66	-62.59
C[N@H+](CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1CCCC1	REAL300012582544	0	52	0.0	-77.54	372.58	8.75	-68.79
C[N@@H+](CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1CCCC1	REAL300012582544	1	52	0.0	-76.87	372.61	8.98	-67.89
COCCCC(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582545	0	51	0.0	-67.99	389.84	5.63	-62.36
COCCCC(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582545	1	51	0.0	-68.49	389.86	5.61	-62.88
CCOCC(NC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582546	0	48	0.0	-70.87	368.62	4.95	-65.92
CCOCC(NC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300012582546	1	48	0.0	-71.43	368.64	4.93	-66.50
C[N@H+](CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1CCCC1	REAL300012582547	0	53	0.0	-68.80	384.90	8.13	-60.67
C[N@@H+](CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1CCCC1	REAL300012582547	1	53	0.0	-70.42	385.76	8.11	-62.31
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCO1)C1CCCC1	REAL300012582548	0	52	0.0	-71.70	383.66	5.88	-65.82
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCO1)C1CCCC1	REAL300012582548	1	52	0.0	-71.00	383.64	5.88	-65.12
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)C1CCCC1	REAL300012582549	0	48	0.0	-69.16	392.16	8.49	-60.67
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)C1CCCC1	REAL300012582549	1	48	0.0	-68.73	392.14	8.49	-60.24
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1CCCC1	REAL300012582550	0	52	0.0	-71.17	389.04	8.97	-62.20
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1CCCC1	REAL300012582550	1	52	0.0	-71.88	390.40	9.11	-62.77
C[C@H]1OCCN(C(=O)NCC[N@H+](C)C2CCCC2)[C@@H]1C(=O)[O-]	REAL300012582551	0	49	0.0	-74.74	355.68	6.88	-67.86
C[C@H]1OCCN(C(=O)NCC[N@@H+](C)C2CCCC2)[C@@H]1C(=O)[O-]	REAL300012582551	1	49	0.0	-74.60	355.71	6.87	-67.73
C[N@H+](CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1CCCC1	REAL300012582552	0	51	0.0	-72.12	376.49	8.60	-63.52
C[N@@H+](CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1CCCC1	REAL300012582552	1	51	0.0	-69.51	376.70	8.61	-60.90
C[N@H+](CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1CCCC1	REAL300012582553	0	62	0.0	-73.37	426.80	9.89	-63.48
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1CCCC1	REAL300012582553	1	62	0.0	-74.45	427.45	9.82	-64.63
C[N@H+](CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C1CCCC1	REAL300012582554	0	54	0.0	-73.63	423.02	9.03	-64.60
C[N@@H+](CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C1CCCC1	REAL300012582554	1	54	0.0	-73.50	423.24	8.97	-64.53
C[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1CCCC1	REAL300012582555	0	48	0.0	-56.15	373.52	8.66	-47.49
C[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1CCCC1	REAL300012582555	1	48	0.0	-56.53	373.50	8.67	-47.86
C[N@H+](CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CCCC1	REAL300012582556	0	59	0.0	-75.87	406.94	9.21	-66.66
C[N@@H+](CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CCCC1	REAL300012582556	1	59	0.0	-75.85	406.92	9.21	-66.64
C[N@H+](CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1CCCC1	REAL300012582557	0	50	0.0	-66.05	404.90	7.41	-58.64
C[N@@H+](CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1CCCC1	REAL300012582557	1	50	0.0	-66.18	405.07	7.35	-58.83
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+](C)C2CCCC2)C1	REAL300012582558	0	52	0.0	-75.76	389.51	7.31	-68.45
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+](C)C2CCCC2)C1	REAL300012582558	1	52	0.0	-75.09	389.54	7.28	-67.81
CCN(C)C1=CC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012582904	0	61	0.0	-63.66	463.20	7.99	-55.67
CCCOC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012583214	0	59	0.0	-63.01	461.58	5.83	-57.18
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC(C(C)(C)C)=CS2)CC1	REAL300012583521	0	58	0.0	-62.00	456.76	7.12	-54.88
C=CCOCC(NC(=O)NC1CC[NH+](CC=C)CC1)C(=O)[O-]	REAL300012583649	0	47	0.0	-74.77	376.20	5.45	-69.32
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012583650	0	50	0.0	-72.64	376.83	5.62	-67.02
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012583651	0	46	0.0	-66.37	377.51	7.90	-58.47
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012583652	0	46	0.0	-66.74	387.64	8.27	-58.47
C=CC[NH+]1CCC(NC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300012583653	0	50	0.0	-81.14	372.02	7.49	-73.65
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012583654	0	50	0.0	-71.04	372.75	5.52	-65.52
C=CC[NH+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012583655	0	49	0.0	-80.63	360.40	9.11	-71.52
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300012583656	0	49	0.0	-68.76	391.49	8.48	-60.28
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012583657	0	51	0.0	-73.58	400.93	7.55	-66.03
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012583658	0	52	0.0	-74.34	407.62	9.10	-65.24
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300012583659	0	52	0.0	-72.77	403.22	8.98	-63.79
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)CC1	REAL300012583660	0	50	0.0	-69.49	410.33	7.64	-61.85
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300012583661	0	52	0.0	-72.28	395.87	8.71	-63.57
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300012583662	0	50	0.0	-70.42	400.76	7.08	-63.34
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012583663	0	52	0.0	-57.08	424.52	11.45	-45.63
C=CC[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012583664	0	49	0.0	-53.39	355.03	9.20	-44.19
C=CC[NH+]1CCC(NC(=O)N(CCC)C(COC)C(=O)[O-])CC1	REAL300012583665	0	52	0.0	-75.29	390.98	9.12	-66.17
C=CC[NH+]1CCC(NC(=O)N(CCC)C(CC)C(=O)[O-])CC1	REAL300012583666	0	51	0.0	-70.14	375.43	9.05	-61.09
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012583667	0	46	0.0	-70.06	381.73	8.22	-61.84
C=CC[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012583668	0	44	0.0	-79.10	339.70	8.63	-70.47
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012583669	0	49	0.0	-75.69	359.23	7.82	-67.87
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012583670	0	52	0.0	-76.26	364.86	8.47	-67.79
C=CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012583671	0	49	0.0	-73.78	387.06	8.70	-65.08
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012583672	0	49	0.0	-60.58	386.65	10.43	-50.15
C=CC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583673	0	46	0.0	-73.83	365.66	7.76	-66.07
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583674	0	46	0.0	-74.28	365.90	7.69	-66.59
C=CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012583675	0	49	0.0	-73.78	387.06	8.70	-65.08
C=CC[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012583676	0	50	0.0	-82.21	378.04	10.79	-71.42
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012583677	0	43	0.0	-72.04	357.26	6.84	-65.20
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012583678	0	49	0.0	-75.69	359.23	7.82	-67.87
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012583679	0	49	0.0	-57.29	402.52	10.97	-46.32
C=CC[NH+]1CCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012583680	0	53	0.0	-75.51	416.94	8.76	-66.75
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)CC1	REAL300012583681	0	57	0.0	-60.63	445.62	9.04	-51.59
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300012583682	0	46	0.0	-69.92	386.29	8.33	-61.59
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012583683	0	49	0.0	-57.47	392.20	10.52	-46.95
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012583684	0	50	0.0	-75.91	385.20	8.99	-66.92
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012583685	0	46	0.0	-73.73	376.73	7.85	-65.88
C=CC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583686	0	49	0.0	-74.49	373.68	8.46	-66.03
C=CC[NH+]1CCC(NC(=O)NC(C)(CCCCCC)C(=O)[O-])CC1	REAL300012583687	0	57	0.0	-72.16	419.85	9.07	-63.09
C=CC[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012583688	0	52	0.0	-71.97	396.72	10.56	-61.41
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012583689	0	46	0.0	-70.06	381.73	8.22	-61.84
C=CC[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012583690	0	52	0.0	-78.15	368.49	9.13	-69.02
C=CC[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012583691	0	52	0.0	-60.53	408.20	11.23	-49.30
C=CC[NH+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583692	0	49	0.0	-76.56	373.61	9.67	-66.89
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012583693	0	50	0.0	-76.57	379.71	8.75	-67.82
C=CC[NH+]1CCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012583694	0	53	0.0	-80.34	421.79	8.63	-71.71
C=CC[NH+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012583695	0	49	0.0	-78.81	353.86	9.45	-69.36
C=CC[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012583696	0	52	0.0	-60.53	408.20	11.23	-49.30
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012583697	0	49	0.0	-57.53	357.91	8.78	-48.75
C=CC[NH+]1CCC(NC(=O)NC(CCCCC)C(=O)[O-])CC1	REAL300012583698	0	51	0.0	-72.67	394.22	7.94	-64.73
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(CC)CC2)CC1	REAL300012583699	0	55	0.0	-75.49	397.44	9.08	-66.41
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012583700	0	50	0.0	-60.00	372.42	7.32	-52.68
C=CC[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012583701	0	49	0.0	-78.65	357.04	8.70	-69.95
C=CC[NH+]1CCC(NC(=O)N(C(CC)C(=O)[O-])C2CC2)CC1	REAL300012583702	0	49	0.0	-63.90	366.43	9.21	-54.69
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012583703	0	46	0.0	-75.38	375.97	8.10	-67.28
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012583704	0	46	0.0	-79.06	369.47	7.78	-71.28
C=CC[NH+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012583705	0	50	0.0	-62.43	380.72	10.12	-52.31
C=CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012583706	0	49	0.0	-75.93	401.19	8.92	-67.01
C=CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012583707	0	55	0.0	-77.70	431.81	10.69	-67.01
C=CC[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012583708	0	55	0.0	-74.03	410.04	8.81	-65.22
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012583709	0	52	0.0	-59.09	398.84	11.06	-48.03
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300012583710	0	49	0.0	-73.92	387.03	8.44	-65.48
C=CC[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012583711	0	42	0.0	-67.32	345.65	6.31	-61.01
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012583712	0	52	0.0	-74.80	411.59	10.02	-64.78
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012583713	0	47	0.0	-72.65	356.90	7.50	-65.15
C=CC[NH+]1CCC(NC(=O)N(C)C(COCC)C(=O)[O-])CC1	REAL300012583714	0	49	0.0	-70.36	370.63	7.12	-63.24
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(CC)C2=CC=CC=C2)CC1	REAL300012583715	0	55	0.0	-58.42	414.72	11.77	-46.65
C=CC[NH+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012583716	0	45	0.0	-60.46	367.28	8.57	-51.89
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012583717	0	52	0.0	-73.95	382.79	7.89	-66.06
C=CC[NH+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012583718	0	53	0.0	-72.46	398.63	8.51	-63.95
C=CC[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012583719	0	53	0.0	-80.37	404.21	11.83	-68.54
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012583720	0	47	0.0	-75.73	350.65	5.33	-70.40
C=CC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012583721	0	52	0.0	-51.92	396.69	11.43	-40.49
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)CC1	REAL300012583722	0	50	0.0	-72.76	393.89	7.02	-65.74
C=CC[NH+]1CCC(NC(=O)NC(CC)(COC)C(=O)[O-])CC1	REAL300012583723	0	49	0.0	-77.37	368.54	6.18	-71.19
C=CC[NH+]1CCC(NC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012583724	0	52	0.0	-71.09	390.72	7.78	-63.31
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012583725	0	49	0.0	-74.69	374.90	3.82	-70.87
C=CC[NH+]1CCC(NC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012583726	0	51	0.0	-70.62	378.10	9.06	-61.56
C=CC[NH+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012583727	0	42	0.0	-72.11	341.24	5.92	-66.19
C=CC[NH+]1CCC(NC(=O)N2CCCC2(CCC)C(=O)[O-])CC1	REAL300012583728	0	52	0.0	-81.46	380.24	10.02	-71.44
C=CC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012583729	0	52	0.0	-78.17	396.75	11.30	-66.87
C=CC[NH+]1CCC(NC(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012583730	0	52	0.0	-71.95	407.30	9.84	-62.11
C=CC[NH+]1CCC(NC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583731	0	52	0.0	-74.74	390.66	9.35	-65.39
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300012583732	0	56	0.0	-78.47	415.90	6.82	-71.65
C=CC[NH+]1CCC(NC(=O)NC(CC2(OC)CCC2)C(=O)[O-])CC1	REAL300012583733	0	53	0.0	-72.49	400.06	6.72	-65.77
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012583734	0	50	0.0	-60.00	372.42	7.32	-52.68
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012583735	0	52	0.0	-59.03	381.37	9.70	-49.33
C=CC[NH+]1CCC(NC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)CC1	REAL300012583736	0	52	0.0	-76.45	373.48	8.25	-68.20
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012583737	0	50	0.0	-74.57	394.55	6.99	-67.58
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300012583738	0	46	0.0	-74.56	379.39	8.16	-66.40
C=CC[NH+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012583739	0	45	0.0	-68.91	340.45	6.12	-62.79
C=CC[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012583740	0	47	0.0	-63.63	363.60	8.30	-55.33
C=CC[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012583741	0	43	0.0	-71.29	342.81	7.29	-64.00
C=CC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012583742	0	50	0.0	-76.19	394.77	7.01	-69.18
C=CC[NH+]1CCC(NC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])CC1	REAL300012583743	0	52	0.0	-80.26	394.77	9.42	-70.84
C=CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])CC1	REAL300012583744	0	53	0.0	-77.01	416.56	8.00	-69.01
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012583745	0	55	0.0	-76.70	387.12	8.69	-68.01
C=CC[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300012583746	0	52	0.0	-71.14	408.01	9.33	-61.81
C=CC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012583747	0	51	0.0	-75.05	401.05	9.14	-65.91
C=CC[NH+]1CCC(NC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300012583748	0	50	0.0	-76.59	376.63	7.10	-69.49
C=CC[NH+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012583749	0	53	0.0	-72.30	396.87	7.12	-65.18
C=CC[NH+]1CCC(NC(=O)NC(CC(=C)Cl)C(=O)[O-])CC1	REAL300012583750	0	43	0.0	-68.50	357.95	6.79	-61.71
C=CC[NH+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012583751	0	47	0.0	-84.86	349.73	8.96	-75.90
C=CC[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012583752	0	52	0.0	-71.65	397.68	8.88	-62.77
C=CC[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012583753	0	43	0.0	-73.62	344.12	7.32	-66.30
C=CC[NH+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012583754	0	53	0.0	-72.93	396.97	7.10	-65.83
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012583755	0	50	0.0	-72.64	376.83	5.62	-67.02
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583756	0	46	0.0	-74.28	365.90	7.69	-66.59
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300012583757	0	49	0.0	-72.10	403.73	8.69	-63.41
C=CC[NH+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012583758	0	45	0.0	-72.81	374.64	5.82	-66.99
C=CC[NH+]1CCC(NC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012583759	0	54	0.0	-72.62	411.79	8.46	-64.16
C=CC[NH+]1CCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012583760	0	52	0.0	-72.46	418.00	9.03	-63.43
C=CC[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012583761	0	50	0.0	-74.58	384.81	6.07	-68.51
C=CC[NH+]1CCC(NC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012583762	0	43	0.0	-70.74	353.20	6.02	-64.72
C=CC[NH+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012583763	0	49	0.0	-71.74	394.30	8.76	-62.98
C=CC[NH+]1CCC(NC(=O)NC(CC(C)CC)C(=O)[O-])CC1	REAL300012583764	0	51	0.0	-72.61	386.41	7.63	-64.98
C=CCCCC(NC(=O)NC1CC[NH+](CC=C)CC1)C(=O)[O-]	REAL300012583765	0	49	0.0	-72.13	384.70	7.75	-64.38
C=CC[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012583766	0	49	0.0	-72.57	394.49	8.69	-63.88
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012583767	0	52	0.0	-70.53	406.32	10.09	-60.44
C=CC[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012583768	0	44	0.0	-79.10	339.70	8.63	-70.47
C=CC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583769	0	49	0.0	-74.49	373.68	8.46	-66.03
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012583770	0	47	0.0	-83.59	350.47	9.14	-74.45
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012583771	0	42	0.0	-68.31	342.27	7.93	-60.38
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012583772	0	42	0.0	-68.31	342.27	7.93	-60.38
C=CC[NH+]1CCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012583773	0	55	0.0	-58.69	415.97	5.91	-52.78
C=CC[NH+]1CCC(NC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012583774	1	59	0.0	-59.96	440.02	5.62	-54.34
C=CC[NH+]1CCC(NC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])CC1	REAL300012583775	0	50	0.0	-58.49	382.89	10.36	-48.13
C=CC[NH+]1CCC(NC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012583776	0	53	0.0	-63.66	392.90	10.65	-53.01
C=CC[NH+]1CCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012583777	0	51	0.0	-73.62	385.49	8.82	-64.80
C=CC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583778	0	46	0.0	-73.83	365.66	7.76	-66.07
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012583779	0	49	0.0	-69.58	404.37	8.77	-60.81
C=CC[NH+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012583780	0	51	0.0	-74.47	405.18	7.65	-66.82
C=CC[NH+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012583781	0	45	0.0	-75.26	373.57	5.70	-69.56
C=CC[NH+]1CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012583782	0	46	0.0	-69.75	394.17	7.43	-62.32
C=CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012583783	0	46	0.0	-87.18	359.05	5.06	-82.12
C=CC[NH+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012583784	0	47	0.0	-73.30	356.32	6.78	-66.52
C=CC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583785	0	46	0.0	-72.22	365.84	7.68	-64.54
C=CC[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012583786	0	49	0.0	-75.36	375.32	7.03	-68.33
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012583787	0	49	0.0	-57.53	357.91	8.78	-48.75
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012583788	0	47	0.0	-82.06	361.48	3.49	-78.57
C=CC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012583789	0	55	0.0	-75.17	412.98	6.90	-68.27
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012583790	0	49	0.0	-76.01	365.78	7.33	-68.68
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012583791	0	52	0.0	-75.65	375.25	8.07	-67.58
C=CC[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012583792	0	52	0.0	-71.97	396.72	10.56	-61.41
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012583793	0	49	0.0	-77.34	367.28	8.02	-69.32
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)CC1	REAL300012583794	0	56	0.0	-78.26	414.66	10.06	-68.20
C=CC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012583795	0	55	0.0	-74.80	414.25	6.85	-67.95
C=CC[NH+]1CCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012583796	0	54	0.0	-64.28	408.13	11.25	-53.03
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012583797	0	47	0.0	-71.74	364.24	4.75	-66.99
C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012583798	0	47	0.0	-81.16	349.33	8.66	-72.50
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C32)CC1	REAL300012583799	0	50	0.0	-80.40	397.54	7.82	-72.58
C=CC[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012583800	0	45	0.0	-79.55	343.10	6.34	-73.21
C=CC[NH+]1CCC(NC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012583801	0	49	0.0	-81.59	360.66	9.40	-72.19
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012583802	0	52	0.0	-71.51	401.28	8.96	-62.55
C=CC[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012583803	0	53	0.0	-72.72	397.94	9.42	-63.30
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012583804	0	59	0.0	-74.55	422.98	8.37	-66.18
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012583805	0	52	0.0	-73.95	382.79	7.89	-66.06
C=CC[NH+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012583806	0	53	0.0	-71.95	401.70	7.41	-64.54
C=CC[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012583807	0	53	0.0	-53.81	375.88	9.41	-44.40
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012583808	0	53	0.0	-75.85	379.75	6.61	-69.24
C=CC[NH+]1CCC(NC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012583809	0	52	0.0	-74.47	425.24	9.97	-64.50
C=CC[NH+]1CCC(NC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC1	REAL300012583810	0	53	0.0	-64.99	398.74	10.57	-54.42
C=CC[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012583811	0	47	0.0	-56.34	351.64	8.59	-47.75
C=CC[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012583812	0	53	0.0	-72.72	397.94	9.42	-63.30
C=CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012583813	0	49	0.0	-75.50	393.71	8.71	-66.79
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300012583814	0	47	0.0	-79.01	364.20	5.27	-73.74
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012583815	0	43	0.0	-74.82	339.26	6.34	-68.48
C=CC[NH+]1CCC(NC(=O)N[C@@]2(C(=O)[O-])C[C@@H](OC)C2)CC1	REAL300012583816	0	47	0.0	-74.41	362.91	5.57	-68.84
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012583817	0	46	0.0	-74.41	367.68	7.39	-67.02
C=CC[NH+]1CCC(NC(=O)N2CCCC2(CC)C(=O)[O-])CC1	REAL300012583818	0	49	0.0	-80.09	358.85	9.30	-70.79
C=CC[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012583819	0	42	0.0	-67.32	345.65	6.31	-61.01
C=CC[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012583820	0	50	0.0	-74.45	384.58	5.68	-68.77
C=CC[NH+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012583821	0	46	0.0	-73.23	379.17	7.70	-65.53
C=CC[NH+]1CCC(NC(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583822	0	53	0.0	-73.32	406.87	7.68	-65.64
C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012583823	0	47	0.0	-80.36	352.12	8.16	-72.20
C=CC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012583824	0	52	0.0	-78.17	396.75	11.30	-66.87
C=CC[NH+]1CCC(NC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300012583825	0	53	0.0	-74.17	426.55	8.22	-65.95
C=CC[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012583826	0	55	0.0	-74.03	410.04	8.81	-65.22
C=CC[NH+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012583827	0	52	0.0	-73.62	410.28	9.42	-64.20
C=CC[NH+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012583828	0	52	0.0	-73.79	411.13	9.41	-64.38
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012583829	0	53	0.0	-75.00	392.43	8.45	-66.55
C=CC[NH+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012583830	0	55	0.0	-73.35	410.09	8.81	-64.54
C=CC[NH+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012583831	0	55	0.0	-73.70	409.80	8.87	-64.83
C=CC[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012583832	0	53	0.0	-55.85	390.25	9.49	-46.36
C=CC[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012583833	0	53	0.0	-80.57	386.81	9.40	-71.17
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300012583834	0	53	0.0	-77.41	429.36	8.24	-69.17
C=CC[NH+]1CCC(NC(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])CC1	REAL300012583835	0	53	0.0	-75.01	416.79	7.94	-67.07
C=CCSCC(NC(=O)NC1CC[NH+](CC=C)CC1)C(=O)[O-]	REAL300012583836	0	47	0.0	-69.96	387.46	7.48	-62.48
C=CC[NH+]1CCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012583837	0	50	0.0	-72.52	407.86	9.10	-63.42
C=CC[NH+]1CCC(NC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300012583838	0	53	0.0	-86.78	426.68	8.69	-78.09
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(OC)CCC2)CC1	REAL300012583839	0	50	0.0	-70.39	377.30	5.27	-65.12
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012583840	0	52	0.0	-73.29	389.99	8.63	-64.66
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012583841	0	53	0.0	-76.14	397.14	9.73	-66.41
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012583842	0	46	0.0	-75.05	361.21	7.04	-68.01
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300012583844	0	58	0.0	-73.47	441.85	10.09	-63.38
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300012583845	0	55	0.0	-73.28	425.23	9.63	-63.65
C=CC[NH+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012583846	0	45	0.0	-57.42	344.48	8.35	-49.07
C=CC[NH+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012583847	0	49	0.0	-80.21	364.59	8.18	-72.03
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC)C=C2)CC1	REAL300012583848	0	53	0.0	-73.80	417.21	7.90	-65.90
C=CC[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012583849	0	53	0.0	-80.33	385.08	10.19	-70.14
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012583850	0	53	0.0	-74.20	407.86	9.55	-64.65
C=CC[NH+]1CCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012583851	0	53	0.0	-78.10	408.31	8.72	-69.38
C=CC[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012583852	0	49	0.0	-77.09	402.10	8.61	-68.48
C=CC[NH+]1CCC(NC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300012583853	0	51	0.0	-72.40	390.04	7.73	-64.67
C=CC[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012583854	0	50	0.0	-55.97	375.37	9.01	-46.96
C=CC[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012583855	0	50	0.0	-74.45	384.58	5.68	-68.77
C=CC[NH+]1CCC(NC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])CC1	REAL300012583856	0	47	0.0	-75.86	370.37	8.66	-67.20
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012583857	0	50	0.0	-78.59	365.05	8.45	-70.14
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012583858	0	47	0.0	-78.18	352.20	7.55	-70.63
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012583859	0	50	0.0	-77.44	379.56	8.17	-69.27
C=CC[NH+]1CCC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012583860	0	52	0.0	-72.58	398.72	10.69	-61.89
C=CC[NH+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012583861	0	56	0.0	-55.91	404.49	9.96	-45.95
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012583862	0	49	0.0	-74.29	373.14	7.33	-66.96
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012583863	0	49	0.0	-60.58	386.65	10.43	-50.15
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300012583864	0	56	0.0	-74.17	439.82	11.17	-63.00
C=CC[NH+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012583865	0	49	0.0	-56.08	368.33	8.30	-47.78
C=CC[NH+]1CCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012583866	0	50	0.0	-58.89	393.03	10.10	-48.79
C=CC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012583867	0	52	0.0	-69.50	411.56	9.48	-60.02
C=CC[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012583868	0	46	0.0	-78.70	350.86	8.65	-70.05
C=CC[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012583869	0	43	0.0	-82.95	342.43	7.25	-75.70
C=CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012583870	0	49	0.0	-75.50	393.71	8.71	-66.79
C=CC[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012583871	0	46	0.0	-72.61	378.12	7.56	-65.05
C=CC[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012583872	0	46	0.0	-71.90	357.67	8.18	-63.72
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012583873	0	50	0.0	-75.58	392.89	8.34	-67.24
C=CC[NH+]1CCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300012583874	0	54	0.0	-78.45	417.58	9.71	-68.74
C=CC[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012583875	0	46	0.0	-72.61	378.12	7.56	-65.05
C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012583876	0	50	0.0	-80.74	367.35	8.66	-72.08
C=CC[NH+]1CCC(NC(=O)NC(CCCOC)C(=O)[O-])CC1	REAL300012583877	0	49	0.0	-71.92	384.06	5.47	-66.45
C=CC[NH+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012583878	0	51	0.0	-72.85	380.31	8.07	-64.78
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012583879	0	50	0.0	-72.98	380.46	6.17	-66.81
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300012583880	0	46	0.0	-70.54	386.10	8.40	-62.14
C=CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012583881	0	50	0.0	-75.91	385.20	8.99	-66.92
C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012583882	0	47	0.0	-80.25	351.52	7.15	-73.10
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012583883	0	49	0.0	-72.22	371.37	8.55	-63.67
C=CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300012583884	0	60	0.0	-76.79	421.41	9.73	-67.06
C=CC[NH+]1CCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012583885	0	52	0.0	-76.85	417.80	8.93	-67.92
C=CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012583886	0	46	0.0	-61.55	368.30	8.57	-52.98
C=CC[NH+]1CCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012583887	0	57	0.0	-79.32	402.04	9.04	-70.28
C=CC[NH+]1CCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012583888	0	48	0.0	-69.01	398.84	7.33	-61.68
C=CC[NH+]1CCC(NC(=O)N2C[C@H](OCC)C[C@H]2C(=O)[O-])CC1	REAL300012583889	0	50	0.0	-74.42	381.39	7.52	-66.90
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012583890	0	51	0.0	-72.95	388.04	7.52	-65.43
C=CCOCC(NC(=O)NC1CC[NH+](CC(=C)C)CC1)C(=O)[O-]	REAL300012583891	0	50	0.0	-74.44	395.84	6.05	-68.39
C=CC(C)C(NC(=O)NC1CC[NH+](CC(=C)C)CC1)C(=O)[O-]	REAL300012583892	0	49	0.0	-72.77	374.12	7.12	-65.65
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012583893	0	53	0.0	-71.78	396.43	6.21	-65.57
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012583894	0	49	0.0	-67.83	397.71	8.47	-59.36
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012583895	0	49	0.0	-68.18	407.84	8.84	-59.34
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300012583896	0	53	0.0	-82.16	390.37	8.56	-73.60
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012583897	0	53	0.0	-69.88	393.20	6.10	-63.78
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012583898	0	52	0.0	-80.06	380.00	9.71	-70.35
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300012583899	0	52	0.0	-70.23	411.95	9.05	-61.18
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012583900	0	54	0.0	-73.42	421.38	8.12	-65.30
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012583901	0	55	0.0	-74.66	428.31	9.60	-65.06
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300012583902	0	55	0.0	-74.28	423.68	9.56	-64.72
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)CC1	REAL300012583903	0	53	0.0	-71.45	430.77	8.13	-63.32
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300012583904	0	55	0.0	-73.32	414.89	9.35	-63.97
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300012583905	0	53	0.0	-71.75	420.95	7.65	-64.10
C=C(C)C[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012583906	0	52	0.0	-61.29	381.60	9.15	-52.14
C=C(C)C[NH+]1CCC(NC(=O)N(CCC)C(COC)C(=O)[O-])CC1	REAL300012583907	0	55	0.0	-75.11	411.64	9.69	-65.42
C=C(C)C[NH+]1CCC(NC(=O)N(CCC)C(CC)C(=O)[O-])CC1	REAL300012583908	0	54	0.0	-69.85	395.53	9.75	-60.10
C=C(C)C[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012583909	0	49	0.0	-81.00	359.69	9.35	-71.65
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012583910	0	49	0.0	-67.69	402.68	8.83	-58.86
C=C(C)C[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012583911	0	47	0.0	-78.54	359.30	9.22	-69.32
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012583912	0	52	0.0	-75.26	378.57	8.40	-66.86
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012583913	0	49	0.0	-74.92	364.69	7.35	-67.57
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012583914	0	55	0.0	-75.38	384.86	9.12	-66.26
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012583915	0	52	0.0	-72.42	408.01	9.33	-63.09
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012583916	0	52	0.0	-59.92	406.25	11.03	-48.89
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583917	0	49	0.0	-72.34	385.24	8.36	-63.98
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583918	0	49	0.0	-73.41	385.00	8.35	-65.06
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012583919	0	52	0.0	-72.42	408.01	9.33	-63.09
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)CC)CC1	REAL300012583920	0	51	0.0	-73.48	380.56	7.16	-66.32
C=C(C)C[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012583921	0	49	0.0	-81.00	359.69	9.35	-71.65
C=C(C)C[NH+]1CCC(NC(=O)NC(C)(CCC)C(=O)[O-])CC1	REAL300012583922	0	51	0.0	-71.57	374.96	7.33	-64.24
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012583923	0	51	0.0	-59.15	383.16	9.07	-50.08
C=C(C)C[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012583924	0	53	0.0	-81.53	397.63	11.38	-70.15
C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012583925	0	49	0.0	-72.54	362.88	7.33	-65.21
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012583926	0	46	0.0	-71.70	376.86	7.43	-64.27
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012583927	0	52	0.0	-75.26	378.57	8.40	-66.86
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012583928	0	52	0.0	-55.56	423.22	11.59	-43.97
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012583929	0	56	0.0	-72.36	436.54	9.27	-63.09
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	REAL300012583930	0	51	0.0	-70.63	380.29	7.15	-63.48
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012583931	0	49	0.0	-74.92	364.69	7.35	-67.57
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012583932	0	52	0.0	-55.72	413.16	11.14	-44.58
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012583933	0	53	0.0	-75.50	404.80	9.58	-65.92
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012583934	0	49	0.0	-73.07	396.10	8.50	-64.57
C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583935	0	52	0.0	-73.67	393.02	9.05	-64.62
C=C(C)C[NH+]1CCC(NC(=O)NC(C)(CCCCCC)C(=O)[O-])CC1	REAL300012583936	0	60	0.0	-71.68	439.45	9.66	-62.02
C=C(C)C[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012583937	0	55	0.0	-71.61	416.57	11.24	-60.37
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012583938	0	49	0.0	-67.69	402.68	8.83	-58.86
C=C(C)C[NH+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012583939	0	47	0.0	-77.53	350.31	6.67	-70.86
C=C(C)C[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012583940	0	55	0.0	-77.27	387.83	9.72	-67.55
C=C(C)C[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012583941	0	55	0.0	-58.66	429.15	11.85	-46.81
C=C(C)C[NH+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583942	0	52	0.0	-73.78	394.86	10.28	-63.50
C=C(C)C[NH+]1CCC(NC(=O)N(CCOC)CC(=O)[O-])CC1	REAL300012583943	0	49	0.0	-60.65	378.63	7.21	-53.44
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012583944	0	53	0.0	-73.72	400.66	9.38	-64.34
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012583945	0	49	0.0	-79.41	358.98	9.16	-70.25
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012583946	0	49	0.0	-77.43	365.65	8.69	-68.74
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012583947	0	56	0.0	-79.42	441.63	9.16	-70.26
C=C(C)C[NH+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012583948	0	52	0.0	-80.02	372.56	9.81	-70.21
C=C(C)C[NH+]1CCC(NC(=O)NC(CCCC)C(=O)[O-])CC1	REAL300012583949	0	51	0.0	-72.48	392.35	7.75	-64.73
C=C(C)C[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012583950	0	55	0.0	-58.66	429.15	11.85	-46.81
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012583951	0	49	0.0	-77.86	365.18	8.65	-69.21
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012583952	0	52	0.0	-57.42	377.54	9.38	-48.04
C=C(C)C[NH+]1CCC(NC(=O)NC(CCCCC)C(=O)[O-])CC1	REAL300012583953	0	54	0.0	-71.83	413.58	8.59	-63.24
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(CC)CC2)CC1	REAL300012583954	0	58	0.0	-78.72	411.86	9.32	-69.40
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012583955	0	53	0.0	-59.34	392.02	7.92	-51.42
C=C(C)C[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012583956	0	52	0.0	-78.20	376.64	9.29	-68.91
C=C(C)C[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012583957	0	49	0.0	-60.84	366.07	8.75	-52.09
C=C(C)C[NH+]1CCC(NC(=O)N(C(CC)C(=O)[O-])C2CC2)CC1	REAL300012583958	0	52	0.0	-60.31	387.21	9.93	-50.38
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012583959	0	49	0.0	-74.65	395.57	8.70	-65.95
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012583960	0	49	0.0	-79.43	389.89	8.36	-71.07
C=C(C)C[NH+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012583961	0	53	0.0	-62.24	400.32	10.71	-51.53
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012583962	0	52	0.0	-74.11	422.70	9.50	-64.61
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012583963	0	58	0.0	-76.39	452.01	11.31	-65.08
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012583964	0	58	0.0	-72.07	429.94	9.48	-62.59
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012583965	0	55	0.0	-58.38	418.44	11.65	-46.73
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300012583966	0	52	0.0	-70.59	406.76	9.03	-61.56
C=C(C)C[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012583967	0	45	0.0	-66.39	365.01	6.98	-59.41
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012583968	0	55	0.0	-75.26	431.45	10.54	-64.72
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012583969	0	50	0.0	-71.80	376.24	8.08	-63.72
C=C(C)C[NH+]1CCC(NC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300012583970	0	49	0.0	-75.68	371.70	5.86	-69.82
C=C(C)C[NH+]1CCC(NC(=O)N(C)C(COCC)C(=O)[O-])CC1	REAL300012583971	0	52	0.0	-68.49	391.79	7.64	-60.85
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012583972	0	51	0.0	-59.15	383.16	9.07	-50.08
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(CC)C2=CC=CC=C2)CC1	REAL300012583973	0	58	0.0	-57.77	434.35	12.37	-45.40
C=C(C)C[NH+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012583974	0	48	0.0	-59.73	386.92	9.17	-50.56
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012583975	0	47	0.0	-71.30	354.95	4.71	-66.59
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012583976	0	55	0.0	-74.48	403.08	8.42	-66.06
C=C(C)C[NH+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012583977	0	56	0.0	-71.93	418.05	9.00	-62.93
C=C(C)C[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012583978	0	56	0.0	-79.23	423.80	12.38	-66.85
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012583979	0	50	0.0	-74.28	370.62	5.96	-68.32
C=CCCC(NC(=O)NC1CC[NH+](CC(=C)C)CC1)C(=O)[O-]	REAL300012583980	0	49	0.0	-71.72	383.39	7.59	-64.13
C=C(C)C[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012583981	0	55	0.0	-54.13	415.37	11.97	-42.16
C=C(C)C[NH+]1CCC(NC(=O)NC(CC)(CC)C(=O)[O-])CC1	REAL300012583982	0	51	0.0	-72.41	369.87	7.47	-64.94
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)CC1	REAL300012583983	0	53	0.0	-70.31	414.85	7.66	-62.65
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)CC)CC1	REAL300012583984	0	51	0.0	-59.22	378.01	9.36	-49.86
C=C(C)C[NH+]1CCC(NC(=O)NC(CC)(COC)C(=O)[O-])CC1	REAL300012583985	0	52	0.0	-76.99	388.14	6.77	-70.22
C=C(C)C[NH+]1CCC(NC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012583986	0	55	0.0	-68.49	412.08	8.39	-60.10
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012583987	0	52	0.0	-76.14	395.75	4.44	-71.70
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012583988	0	49	0.0	-71.95	381.18	7.70	-64.25
C=C(C)C[NH+]1CCC(NC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012583989	0	49	0.0	-72.18	382.75	5.33	-66.85
C=C(C)C[NH+]1CCC(NC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012583990	0	54	0.0	-68.55	398.80	9.67	-58.88
C=C(C)C[NH+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012583991	0	45	0.0	-71.38	360.58	6.50	-64.88
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC2(CCC)C(=O)[O-])CC1	REAL300012583992	0	55	0.0	-79.16	399.94	10.64	-68.52
C=C(C)C[NH+]1CCC(NC(=O)N(CCC)C(C)C(=O)[O-])CC1	REAL300012583993	0	51	0.0	-53.97	379.57	9.64	-44.33
C=C(C)C[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012583994	0	55	0.0	-77.41	416.35	11.89	-65.52
C=C(C)C[NH+]1CCC(NC(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012583995	0	55	0.0	-70.79	425.12	10.39	-60.40
C=C(C)C[NH+]1CCC(NC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012583996	0	55	0.0	-74.35	410.26	9.94	-64.41
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300012583997	0	59	0.0	-76.93	435.33	7.53	-69.40
C=C(C)C[NH+]1CCC(NC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012583998	0	45	0.0	-70.73	355.41	6.40	-64.33
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2(OC)CCC2)C(=O)[O-])CC1	REAL300012583999	0	56	0.0	-73.70	418.80	7.64	-66.06
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012584000	0	53	0.0	-59.34	392.02	7.92	-51.42
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012584001	0	55	0.0	-58.92	401.00	10.30	-48.62
C=C(C)C[NH+]1CCC(NC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)CC1	REAL300012584002	0	55	0.0	-75.48	393.00	8.84	-66.64
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012584003	0	53	0.0	-75.84	415.51	7.61	-68.23
C=C(C)C[NH+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012584004	0	48	0.0	-68.42	360.05	6.71	-61.71
C=C(C)C[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012584005	0	50	0.0	-63.01	383.23	8.91	-54.10
C=C(C)C[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012584006	0	46	0.0	-72.08	361.95	7.89	-64.19
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012584007	0	53	0.0	-75.48	414.40	7.61	-67.87
C=C(C)C[NH+]1CCC(NC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])CC1	REAL300012584008	0	55	0.0	-79.63	414.37	10.01	-69.62
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])CC1	REAL300012584009	0	56	0.0	-73.25	436.92	8.50	-64.75
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012584010	0	58	0.0	-76.76	404.31	9.19	-67.57
C=C(C)C[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012584011	0	47	0.0	-83.87	356.52	8.70	-75.17
C=C(C)C[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300012584012	0	55	0.0	-70.70	427.35	9.91	-60.79
C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012584013	0	54	0.0	-69.40	421.22	9.72	-59.68
C=C(C)C[NH+]1CCC(NC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300012584014	0	53	0.0	-76.93	397.57	7.72	-69.21
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012584015	0	56	0.0	-71.61	416.51	7.72	-63.89
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012584016	0	51	0.0	-69.27	378.49	7.33	-61.94
C=C(C)C[NH+]1CCC(NC(=O)NC(CC(=C)Cl)C(=O)[O-])CC1	REAL300012584017	0	46	0.0	-68.71	377.82	7.34	-61.37
C=C(C)CC(NC(=O)NC1CC[NH+](CC(=C)C)CC1)C(=O)[O-]	REAL300012584018	0	49	0.0	-72.48	382.26	7.58	-64.90
C=C(C)C[NH+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012584019	0	50	0.0	-84.93	368.38	9.49	-75.44
C=C(C)C[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012584020	0	55	0.0	-71.24	417.28	9.47	-61.77
C=C(C)C[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012584021	0	46	0.0	-72.76	363.64	7.91	-64.85
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012584022	0	46	0.0	-77.35	356.76	7.80	-69.55
C=C(C)C[NH+]1CCC(NC(=O)N2CC(=C)C[C@H]2C(=O)[O-])CC1	REAL300012584023	0	47	0.0	-78.12	362.62	8.26	-69.86
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012584024	0	56	0.0	-72.85	416.56	7.69	-65.16
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012584025	0	51	0.0	-72.95	388.04	7.52	-65.43
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012584026	0	53	0.0	-71.78	396.43	6.21	-65.57
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012584027	0	49	0.0	-73.41	385.00	8.35	-65.06
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300012584028	0	52	0.0	-72.36	423.68	9.34	-63.02
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012584029	0	49	0.0	-71.95	381.18	7.70	-64.25
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012584030	0	48	0.0	-70.96	392.49	6.35	-64.61
C=C(C)C[NH+]1CCC(NC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012584031	0	57	0.0	-72.34	431.38	9.04	-63.30
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012584032	0	55	0.0	-72.74	436.85	9.74	-63.00
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012584033	0	53	0.0	-76.66	405.50	6.58	-70.08
C=C(C)C[NH+]1CCC(NC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012584034	0	46	0.0	-69.99	372.80	6.61	-63.38
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012584035	0	52	0.0	-70.20	413.91	9.35	-60.85
C=C(C)C[NH+]1CCC(NC(=O)NC(CC(C)CC)C(=O)[O-])CC1	REAL300012584036	0	54	0.0	-72.67	406.25	8.17	-64.50
C=CCCCC(NC(=O)NC1CC[NH+](CC(=C)C)CC1)C(=O)[O-]	REAL300012584037	0	52	0.0	-72.06	405.13	8.31	-63.75
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012584038	0	52	0.0	-71.89	413.83	9.27	-62.62
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012584039	0	55	0.0	-76.80	425.26	10.47	-66.33
C=C(C)C[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012584040	0	47	0.0	-78.54	359.30	9.22	-69.32
C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012584041	0	52	0.0	-73.67	393.02	9.05	-64.62
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012584042	0	50	0.0	-82.69	369.99	9.73	-72.96
C=C(C)C[NH+]1CCC(NC(=O)N(CC)C(C)(C)C(=O)[O-])CC1	REAL300012584043	0	51	0.0	-74.46	374.00	8.96	-65.50
C=C(C)C[NH+]1CCC(NC(=O)N(CCC)C(C)C(=O)[O-])CC1	REAL300012584044	0	51	0.0	-53.97	379.57	9.64	-44.33
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012584045	0	45	0.0	-67.86	361.87	8.52	-59.34
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012584046	0	45	0.0	-67.86	361.87	8.52	-59.34
C=C(C)C[NH+]1CCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012584047	0	58	0.0	-60.71	435.61	6.51	-54.20
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012584048	0	47	0.0	-80.00	360.47	4.45	-75.55
C=C(C)C[NH+]1CCC(NC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012584049	1	62	0.0	-59.76	459.66	6.22	-53.54
C=C(C)C[NH+]1CCC(NC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])CC1	REAL300012584050	0	53	0.0	-58.28	402.23	10.95	-47.33
C=C(C)C[NH+]1CCC(NC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012584051	0	56	0.0	-63.05	412.53	11.25	-51.80
C=C(C)C[NH+]1CCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012584052	0	54	0.0	-72.99	405.09	9.42	-63.57
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012584053	0	49	0.0	-72.34	385.24	8.36	-63.98
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012584054	0	52	0.0	-66.48	424.09	9.36	-57.12
C=C(C)C[NH+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012584055	0	54	0.0	-73.71	424.78	8.24	-65.47
C=CCCC(NC(=O)NC1CC[NH+](CC(=C)C)CC1)C(=O)[O-]	REAL300012584056	0	49	0.0	-71.72	383.39	7.59	-64.13
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012584057	0	48	0.0	-74.16	394.77	6.26	-67.90
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012584058	0	49	0.0	-65.57	412.94	8.04	-57.53
C=C(C)C[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012584059	0	49	0.0	-86.61	378.39	5.64	-80.97
C=C(C)C[NH+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012584060	0	50	0.0	-72.62	375.92	7.37	-65.25
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012584061	0	49	0.0	-77.55	364.86	8.65	-68.90
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012584062	0	49	0.0	-70.49	384.84	8.31	-62.18
C=C(C)C[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012584063	0	52	0.0	-74.84	394.95	7.63	-67.21
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012584064	0	52	0.0	-57.42	377.54	9.38	-48.04
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	REAL300012584065	0	51	0.0	-70.63	380.29	7.15	-63.48
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012584066	0	50	0.0	-81.18	381.11	4.09	-77.09
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012584067	0	58	0.0	-75.08	432.76	7.46	-67.62
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012584068	0	52	0.0	-75.49	385.38	7.92	-67.57
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012584069	0	55	0.0	-76.15	393.21	8.54	-67.61
C=C(C)C[NH+]1CCC(NC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012584070	0	49	0.0	-72.18	382.75	5.33	-66.85
C=C(C)C[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012584071	0	55	0.0	-71.61	416.57	11.24	-60.37
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012584072	0	52	0.0	-76.89	386.91	8.62	-68.27
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)CC1	REAL300012584073	0	59	0.0	-76.39	434.15	10.59	-65.80
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012584074	0	49	0.0	-74.08	372.65	7.55	-66.53
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012584075	0	58	0.0	-73.68	433.15	7.49	-66.19
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012584076	0	47	0.0	-83.81	359.14	4.64	-79.17
C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012584077	0	57	0.0	-63.61	427.73	11.84	-51.77
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012584078	0	50	0.0	-70.56	376.98	5.26	-65.30
C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012584079	0	50	0.0	-81.84	369.79	9.25	-72.59
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C32)CC1	REAL300012584080	0	53	0.0	-81.46	417.40	8.35	-73.11
C=C(C)C[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012584081	0	48	0.0	-78.85	362.70	6.94	-71.91
C=C(C)C[NH+]1CCC(NC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012584082	0	52	0.0	-80.92	380.26	9.99	-70.93
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012584083	0	55	0.0	-71.55	419.94	9.50	-62.05
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012584084	0	56	0.0	-72.36	417.28	10.00	-62.36
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012584085	0	49	0.0	-73.38	369.44	7.09	-66.29
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012584086	0	62	0.0	-74.19	442.58	8.96	-65.23
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012584087	0	55	0.0	-74.48	403.08	8.42	-66.06
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012584088	0	49	0.0	-73.38	369.44	7.09	-66.29
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012584089	0	49	0.0	-79.56	369.39	8.40	-71.16
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012584090	0	56	0.0	-72.17	421.57	7.93	-64.24
C=C(C)C[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012584091	0	56	0.0	-53.61	395.13	9.98	-43.63
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012584092	0	56	0.0	-75.49	399.35	7.20	-68.29
C=C(C)C[NH+]1CCC(NC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC1	REAL300012584093	0	56	0.0	-64.42	418.08	11.15	-53.27
C=C(C)C[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012584094	0	50	0.0	-56.12	371.16	9.18	-46.94
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012584095	0	56	0.0	-72.36	417.28	10.00	-62.36
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012584096	0	52	0.0	-74.73	413.91	9.35	-65.38
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300012584097	0	50	0.0	-78.58	383.81	5.86	-72.72
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012584098	0	46	0.0	-74.38	358.60	6.93	-67.45
C=C(C)C[NH+]1CCC(NC(=O)N[C@@]2(C(=O)[O-])C[C@@H](OC)C2)CC1	REAL300012584099	0	50	0.0	-74.17	382.50	6.15	-68.02
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012584100	0	49	0.0	-74.18	389.42	7.96	-66.22
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC2(CC)C(=O)[O-])CC1	REAL300012584101	0	52	0.0	-78.91	378.46	9.90	-69.01
C=C(C)C[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012584102	0	45	0.0	-66.39	365.01	6.98	-59.41
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012584103	0	53	0.0	-73.15	403.18	6.31	-66.84
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012584104	0	49	0.0	-72.58	396.99	8.26	-64.32
C=C(C)C[NH+]1CCC(NC(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012584105	0	56	0.0	-72.83	426.47	8.27	-64.56
C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012584106	0	51	0.0	-71.98	368.38	7.20	-64.78
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012584107	0	47	0.0	-80.81	355.67	9.30	-71.51
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012584108	0	50	0.0	-79.90	371.64	8.75	-71.15
C=C(C)C[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012584109	0	55	0.0	-77.41	416.35	11.89	-65.52
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012584110	0	58	0.0	-72.07	429.94	9.48	-62.59
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012584111	0	55	0.0	-70.71	430.71	9.99	-60.72
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012584112	0	55	0.0	-72.07	430.21	10.04	-62.03
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012584113	0	56	0.0	-74.04	411.11	9.06	-64.98
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012584114	0	58	0.0	-72.56	429.44	9.48	-63.08
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012584115	0	58	0.0	-73.24	429.38	9.40	-63.84
C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012584116	0	56	0.0	-55.58	409.57	10.06	-45.52
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012584117	0	56	0.0	-81.04	406.89	9.81	-71.23
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])CC1	REAL300012584118	0	56	0.0	-74.28	435.21	8.54	-65.74
C=CCSCC(NC(=O)NC1CC[NH+](CC(=C)C)CC1)C(=O)[O-]	REAL300012584119	0	50	0.0	-70.07	407.04	8.00	-62.07
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012584120	0	53	0.0	-71.09	428.83	9.72	-61.37
C=C(C)C[NH+]1CCC(NC(=O)N(CC)C(CC)C(=O)[O-])CC1	REAL300012584121	0	51	0.0	-70.51	374.34	9.09	-61.42
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(OC)CCC2)CC1	REAL300012584122	0	53	0.0	-66.88	396.94	5.88	-61.00
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012584123	0	55	0.0	-76.37	404.40	8.87	-67.50
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012584124	0	56	0.0	-75.69	416.74	10.32	-65.37
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012584125	0	49	0.0	-78.72	382.81	7.79	-70.93
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300012584127	0	61	0.0	-72.20	461.95	10.63	-61.57
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300012584128	0	58	0.0	-70.85	445.92	10.24	-60.61
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012584129	0	46	0.0	-77.35	356.76	7.80	-69.55
C=C(C)C[NH+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012584130	0	48	0.0	-56.68	364.08	8.94	-47.74
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012584131	0	52	0.0	-79.45	384.32	8.80	-70.65
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC)C=C2)CC1	REAL300012584132	0	56	0.0	-70.24	436.70	8.58	-61.66
C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012584133	0	56	0.0	-79.66	404.68	10.78	-68.88
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012584134	0	56	0.0	-71.91	425.66	10.16	-61.75
C=C(C)C[NH+]1CCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012584135	0	56	0.0	-77.59	427.91	9.32	-68.27
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012584136	0	52	0.0	-72.64	420.90	9.23	-63.41
C=C(C)C[NH+]1CCC(NC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300012584137	0	54	0.0	-72.51	409.88	8.27	-64.24
C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012584138	0	53	0.0	-55.80	394.97	9.60	-46.20
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012584139	0	53	0.0	-73.15	403.18	6.31	-66.84
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])CC1	REAL300012584140	0	50	0.0	-72.84	391.73	9.32	-63.52
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012584141	0	53	0.0	-77.68	384.39	9.04	-68.64
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012584142	0	50	0.0	-77.29	371.54	8.13	-69.16
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012584143	0	53	0.0	-73.53	393.31	8.56	-64.97
C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012584144	0	55	0.0	-72.19	418.36	11.29	-60.90
C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012584145	0	59	0.0	-55.63	423.83	10.55	-45.08
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012584146	0	52	0.0	-72.77	385.49	7.79	-64.98
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300012584147	0	49	0.0	-73.89	379.31	5.44	-68.45
C=C(C)C[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012584148	0	49	0.0	-76.76	357.60	7.11	-69.65
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012584149	0	52	0.0	-59.92	406.25	11.03	-48.89
C=C(C)C[NH+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012584150	0	52	0.0	-55.83	388.00	8.94	-46.89
C=C(C)C[NH+]1CCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012584151	0	53	0.0	-58.29	412.63	10.70	-47.59
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012584152	0	49	0.0	-77.49	370.55	9.24	-68.25
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012584153	0	46	0.0	-82.54	361.77	7.84	-74.70
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012584154	0	52	0.0	-74.73	413.91	9.35	-65.38
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012584155	0	49	0.0	-73.05	398.55	8.13	-64.92
C=C(C)C[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012584156	0	49	0.0	-71.09	377.27	8.77	-62.32
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012584157	0	53	0.0	-74.30	413.00	8.98	-65.32
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300012584158	0	57	0.0	-77.66	437.20	10.31	-67.35
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012584159	0	49	0.0	-73.05	398.55	8.13	-64.92
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012584160	0	53	0.0	-80.32	386.95	9.25	-71.07
C=C(C)C[NH+]1CCC(NC(=O)NC(CCCOC)C(=O)[O-])CC1	REAL300012584161	0	52	0.0	-71.19	403.66	6.06	-65.13
C=C(C)C[NH+]1CCC(NC(=O)N(C)C(CCC)C(=O)[O-])CC1	REAL300012584162	0	51	0.0	-69.50	379.40	9.09	-60.41
C=C(C)C[NH+]1CCC(NC(=O)NC(COCC)C(=O)[O-])CC1	REAL300012584163	0	49	0.0	-73.95	382.90	5.47	-68.48
C=C(C)C[NH+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012584164	0	54	0.0	-73.03	400.19	8.61	-64.42
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012584165	0	53	0.0	-72.08	399.80	6.75	-65.33
C=C(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012584166	0	53	0.0	-75.50	404.80	9.58	-65.92
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012584167	0	50	0.0	-77.77	370.10	7.41	-70.36
C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012584168	0	52	0.0	-71.85	390.90	9.14	-62.71
C=C(C)C[NH+]1CCC(NC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012584169	0	46	0.0	-73.56	370.18	6.71	-66.85
C=C(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300012584170	0	63	0.0	-76.49	441.19	10.38	-66.11
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012584171	0	55	0.0	-72.30	433.32	9.60	-62.70
C=C(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012584172	0	49	0.0	-60.89	387.90	9.17	-51.72
C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012584173	0	60	0.0	-78.72	421.67	9.65	-69.07
C=C(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012584174	0	51	0.0	-68.88	419.23	7.90	-60.98
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](OCC)C[C@H]2C(=O)[O-])CC1	REAL300012584175	0	53	0.0	-74.68	402.76	8.18	-66.50
COCC[N@@H+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300012584176	0	48	0.0	-72.38	368.19	5.10	-67.28
COCC[N@H+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300012584176	1	48	0.0	-70.79	369.74	4.86	-65.93
C=CCOCC(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584177	0	47	0.0	-71.74	376.62	3.62	-68.12
C=CCOCC(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584177	1	47	0.0	-73.94	378.90	3.37	-70.57
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012584178	0	50	0.0	-75.33	374.10	3.59	-71.74
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012584178	1	50	0.0	-72.38	375.45	3.36	-69.02
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012584179	0	46	0.0	-69.76	378.05	6.07	-63.69
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012584179	1	46	0.0	-67.39	381.01	5.73	-61.66
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012584180	0	46	0.0	-69.90	388.53	6.48	-63.42
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012584180	1	46	0.0	-66.81	390.66	6.27	-60.54
COCC[N@@H+]1CCC(NC(=O)N2CCC(OC)CC2C(=O)[O-])C1	REAL300012584181	0	50	0.0	-83.09	370.34	5.87	-77.22
COCC[N@H+]1CCC(NC(=O)N2CCC(OC)CC2C(=O)[O-])C1	REAL300012584181	1	50	0.0	-80.47	373.24	5.37	-75.10
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012584182	0	50	0.0	-69.87	374.51	3.61	-66.26
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012584182	1	50	0.0	-70.34	376.40	3.28	-67.06
COCC[N@@H+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])C1	REAL300012584183	0	49	0.0	-83.30	361.00	7.62	-75.68
COCC[N@H+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])C1	REAL300012584183	1	49	0.0	-82.03	356.47	7.08	-74.95
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)C1	REAL300012584184	0	49	0.0	-67.91	392.81	6.64	-61.27
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)C1	REAL300012584184	1	49	0.0	-69.49	394.76	6.39	-63.10
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012584185	0	51	0.0	-71.50	401.89	5.75	-65.75
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012584185	1	51	0.0	-73.39	404.20	5.46	-67.93
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C1	REAL300012584186	0	52	0.0	-72.08	408.56	7.31	-64.77
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C1	REAL300012584186	1	52	0.0	-73.44	410.48	6.97	-66.47
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C1	REAL300012584187	0	52	0.0	-74.09	404.73	7.06	-67.03
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C1	REAL300012584187	1	52	0.0	-73.17	406.48	6.90	-66.27
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)C1	REAL300012584188	0	50	0.0	-72.81	410.86	5.79	-67.02
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)C1	REAL300012584188	1	50	0.0	-70.39	413.83	5.47	-64.92
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C1	REAL300012584189	0	52	0.0	-72.50	396.03	6.90	-65.60
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C1	REAL300012584189	1	52	0.0	-72.33	397.52	6.55	-65.78
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C1	REAL300012584190	0	50	0.0	-74.07	401.65	5.28	-68.79
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C1	REAL300012584190	1	50	0.0	-70.26	403.78	5.07	-65.19
COCC[N@@H+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CCC2)C1	REAL300012584191	0	49	0.0	-45.55	355.57	7.64	-37.91
COCC[N@H+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CCC2)C1	REAL300012584191	1	49	0.0	-48.15	358.42	7.26	-40.89
CCCN(C(=O)NC1CC[N@H+](CCOC)C1)C(COC)C(=O)[O-]	REAL300012584192	0	52	0.0	-74.21	393.48	7.10	-67.11
CCCN(C(=O)NC1CC[N@@H+](CCOC)C1)C(COC)C(=O)[O-]	REAL300012584192	1	52	0.0	-71.56	387.21	6.06	-65.50
CCCN(C(=O)NC1CC[N@H+](CCOC)C1)C(CC)C(=O)[O-]	REAL300012584193	0	51	0.0	-49.68	375.59	7.73	-41.95
CCCN(C(=O)NC1CC[N@@H+](CCOC)C1)C(CC)C(=O)[O-]	REAL300012584193	1	51	0.0	-45.63	374.75	8.30	-37.33
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012584194	0	46	0.0	-70.77	382.49	6.39	-64.38
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012584194	1	46	0.0	-68.27	384.12	6.23	-62.04
COCC[N@@H+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012584195	0	44	0.0	-78.92	340.40	6.91	-72.01
COCC[N@H+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012584195	1	44	0.0	-78.71	341.93	6.47	-72.24
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012584196	0	49	0.0	-73.58	359.58	5.99	-67.59
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012584196	1	49	0.0	-75.08	361.70	5.75	-69.33
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012584197	0	52	0.0	-74.24	365.28	6.65	-67.59
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012584197	1	52	0.0	-74.26	370.60	6.23	-68.03
COCC[N@@H+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012584198	0	49	0.0	-72.90	387.15	6.84	-66.06
COCC[N@H+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012584198	1	49	0.0	-71.21	389.97	6.52	-64.69
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012584199	0	49	0.0	-56.36	386.49	8.62	-47.74
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012584199	1	49	0.0	-57.33	388.39	8.36	-48.97
COCC[N@@H+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584200	0	46	0.0	-71.37	365.99	5.95	-65.42
COCC[N@H+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584200	1	46	0.0	-72.17	367.53	5.54	-66.63
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584201	0	46	0.0	-73.54	365.16	5.90	-67.64
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584201	1	46	0.0	-70.37	367.48	5.65	-64.72
COCC[N@@H+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012584202	0	49	0.0	-72.90	387.15	6.84	-66.06
COCC[N@H+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012584202	1	49	0.0	-71.21	389.97	6.52	-64.69
CCC(C)C(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584203	0	48	0.0	-73.03	363.52	4.55	-68.48
CCC(C)C(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584203	1	48	0.0	-70.22	362.91	5.07	-65.15
CCCC(C)(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584204	0	48	0.0	-71.05	357.92	4.71	-66.34
CCCC(C)(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584204	1	48	0.0	-71.87	355.43	4.94	-66.93
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)C1	REAL300012584205	0	48	0.0	-58.46	364.24	6.88	-51.58
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)C1	REAL300012584205	1	48	0.0	-55.87	365.44	6.54	-49.33
COCC[N@@H+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012584206	0	50	0.0	-84.09	378.33	9.20	-74.89
COCC[N@H+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012584206	1	50	0.0	-81.66	380.45	8.65	-73.01
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012584207	0	43	0.0	-71.55	357.93	4.94	-66.61
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012584207	1	43	0.0	-69.94	358.75	4.70	-65.24
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012584208	0	49	0.0	-73.58	359.58	5.99	-67.59
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012584208	1	49	0.0	-75.08	361.70	5.75	-69.33
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012584209	0	49	0.0	-54.24	403.21	9.14	-45.10
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012584209	1	49	0.0	-54.93	405.20	8.82	-46.11
COCC[N@@H+]1CCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012584210	0	53	0.0	-74.68	417.53	6.88	-67.80
COCC[N@H+]1CCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012584210	1	53	0.0	-72.52	417.99	6.58	-65.94
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584211	0	48	0.0	-73.09	363.38	4.49	-68.60
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584211	1	48	0.0	-71.53	359.07	4.74	-66.79
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)C1	REAL300012584212	0	57	0.0	-60.74	446.07	7.22	-53.52
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)C1	REAL300012584212	1	57	0.0	-58.22	447.89	7.01	-51.21
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012584213	0	49	0.0	-54.45	392.89	8.69	-45.76
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012584213	1	49	0.0	-55.10	394.87	8.37	-46.73
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012584214	0	50	0.0	-76.29	384.97	7.17	-69.12
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012584214	1	50	0.0	-73.84	387.11	6.87	-66.97
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012584215	0	46	0.0	-71.57	377.15	6.02	-65.55
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012584215	1	46	0.0	-71.47	377.51	5.69	-65.78
COCC[N@@H+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584216	0	49	0.0	-74.41	373.59	6.65	-67.76
COCC[N@H+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584216	1	49	0.0	-72.75	375.44	6.40	-66.35
CCCCCCC(C)(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584217	0	57	0.0	-71.27	422.42	7.05	-64.22
CCCCCCC(C)(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584217	1	57	0.0	-69.43	420.28	7.24	-62.19
COCC[N@@H+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012584218	0	52	0.0	-70.27	397.04	8.72	-61.55
COCC[N@H+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012584218	1	52	0.0	-71.12	398.42	8.49	-62.63
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012584219	0	46	0.0	-70.77	382.49	6.39	-64.38
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012584219	1	46	0.0	-68.27	384.12	6.23	-62.04
COCC[N@@H+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012584220	0	44	0.0	-79.26	330.58	4.26	-75.00
COCC[N@H+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012584220	1	44	0.0	-77.79	333.03	4.05	-73.74
COCC[N@@H+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012584221	0	52	0.0	-78.49	368.91	7.36	-71.13
COCC[N@H+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012584221	1	52	0.0	-75.99	370.12	6.98	-69.01
COCC[N@@H+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012584222	0	52	0.0	-59.68	409.37	9.38	-50.30
COCC[N@H+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012584222	1	52	0.0	-56.55	410.54	9.04	-47.51
COCC[N@@H+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584223	0	49	0.0	-70.10	373.42	7.51	-62.59
COCC[N@H+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584223	1	49	0.0	-69.82	376.09	7.32	-62.50
COCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CCOC)C1	REAL300012584224	0	46	0.0	-56.67	360.66	4.45	-52.22
COCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CCOC)C1	REAL300012584224	1	46	0.0	-54.76	350.93	5.59	-49.17
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012584225	0	50	0.0	-76.46	380.49	6.95	-69.51
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012584225	1	50	0.0	-75.29	382.21	6.69	-68.60
COCC[N@@H+]1CCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012584226	0	53	0.0	-80.90	421.56	6.82	-74.08
COCC[N@H+]1CCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012584226	1	53	0.0	-79.35	423.80	6.51	-72.84
COCC[N@@H+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012584227	0	49	0.0	-81.40	352.33	7.35	-74.05
COCC[N@H+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012584227	1	49	0.0	-80.59	355.10	7.11	-73.48
CCCCC(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584228	0	48	0.0	-71.21	375.04	5.20	-66.01
CCCCC(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584228	1	48	0.0	-70.04	372.55	5.44	-64.60
COCC[N@@H+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012584229	0	52	0.0	-59.68	409.37	9.38	-50.30
COCC[N@H+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012584229	1	52	0.0	-56.55	410.54	9.04	-47.51
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012584230	0	49	0.0	-54.19	363.74	7.18	-47.01
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012584230	1	49	0.0	-55.68	366.79	7.01	-48.67
CCCCCC(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584231	0	51	0.0	-71.22	396.54	5.98	-65.24
CCCCCC(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584231	1	51	0.0	-71.60	393.80	6.12	-65.48
CCC1CCC(NC(=O)NC2CC[N@H+](CCOC)C2)(C(=O)[O-])CC1	REAL300012584232	0	55	0.0	-70.58	394.10	6.27	-64.31
CCC1CCC(NC(=O)NC2CC[N@@H+](CCOC)C2)(C(=O)[O-])CC1	REAL300012584232	1	55	0.0	-69.24	392.30	6.52	-62.72
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012584233	0	50	0.0	-58.14	372.90	5.51	-52.63
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012584233	1	50	0.0	-55.31	373.92	5.17	-50.14
COCC[N@@H+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012584234	0	49	0.0	-78.18	354.95	6.59	-71.59
COCC[N@H+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012584234	1	49	0.0	-78.20	357.73	6.37	-71.83
CCC(C(=O)[O-])N(C(=O)NC1CC[N@H+](CCOC)C1)C1CC1	REAL300012584235	0	49	0.0	-61.26	369.07	7.00	-54.26
CCC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](CCOC)C1)C1CC1	REAL300012584235	1	49	0.0	-57.05	367.00	7.28	-49.77
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012584236	0	46	0.0	-73.35	378.59	6.36	-66.99
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012584236	1	46	0.0	-73.02	378.95	6.04	-66.98
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012584237	0	46	0.0	-77.34	370.41	5.99	-71.35
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012584237	1	46	0.0	-76.80	371.60	5.69	-71.11
COCC[N@@H+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012584238	0	50	0.0	-57.81	380.65	8.30	-49.51
COCC[N@H+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012584238	1	50	0.0	-61.21	383.75	7.95	-53.26
COCC[N@@H+]1CCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012584239	0	49	0.0	-77.83	403.07	7.10	-70.73
COCC[N@H+]1CCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012584239	1	49	0.0	-76.56	406.22	6.89	-69.67
COCC[N@@H+]1CCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012584240	0	55	0.0	-77.25	430.65	8.84	-68.41
COCC[N@H+]1CCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012584240	1	55	0.0	-76.43	433.49	8.56	-67.87
COCC[N@@H+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012584241	0	55	0.0	-73.87	409.95	7.00	-66.87
COCC[N@H+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012584241	1	55	0.0	-72.35	411.81	6.77	-65.58
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012584242	0	52	0.0	-57.75	395.05	9.24	-48.51
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012584242	1	52	0.0	-58.05	400.41	9.09	-48.96
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C1	REAL300012584243	0	49	0.0	-73.62	386.57	6.58	-67.04
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C1	REAL300012584243	1	49	0.0	-71.90	389.51	6.31	-65.59
COCC[N@@H+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012584244	0	42	0.0	-64.26	345.83	4.56	-59.70
COCC[N@H+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012584244	1	42	0.0	-64.92	346.93	4.24	-60.68
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012584245	0	52	0.0	-74.61	412.26	8.13	-66.48
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012584245	1	52	0.0	-73.93	414.02	7.96	-65.97
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012584246	0	47	0.0	-69.90	357.26	5.66	-64.24
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012584246	1	47	0.0	-71.42	359.09	5.41	-66.01
COCC[N@@H+]1CCC(NC(=O)NC(C)(COC)C(=O)[O-])C1	REAL300012584247	0	46	0.0	-74.13	352.18	3.48	-70.65
COCC[N@H+]1CCC(NC(=O)NC(C)(COC)C(=O)[O-])C1	REAL300012584247	1	46	0.0	-75.67	354.67	3.24	-72.43
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CCOC)C1	REAL300012584248	0	49	0.0	-69.71	374.50	4.85	-64.86
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CCOC)C1	REAL300012584248	1	49	0.0	-70.14	371.86	5.11	-65.03
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)C1	REAL300012584249	0	48	0.0	-58.46	364.24	6.88	-51.58
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)C1	REAL300012584249	1	48	0.0	-55.87	365.44	6.54	-49.33
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CCOC)C1	REAL300012584250	0	55	0.0	-51.85	409.95	8.85	-43.00
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CCOC)C1	REAL300012584250	1	55	0.0	-54.47	413.61	9.28	-45.19
COCC[N@@H+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012584251	0	45	0.0	-58.67	367.35	6.78	-51.89
COCC[N@H+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012584251	1	45	0.0	-57.33	369.69	6.49	-50.84
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012584252	0	44	0.0	-71.99	335.26	2.31	-69.68
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012584252	1	44	0.0	-69.78	337.08	2.02	-67.76
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012584253	0	52	0.0	-71.01	385.44	6.22	-64.79
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012584253	1	52	0.0	-73.96	386.02	5.79	-68.17
COCC[N@@H+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012584254	0	53	0.0	-71.21	399.93	6.64	-64.57
COCC[N@H+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012584254	1	53	0.0	-69.17	400.53	6.23	-62.94
COCC[N@@H+]1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012584255	0	53	0.0	-80.34	403.68	9.96	-70.38
COCC[N@H+]1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012584255	1	53	0.0	-79.88	405.47	9.73	-70.15
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012584256	0	47	0.0	-73.11	350.99	3.50	-69.61
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012584256	1	47	0.0	-74.61	352.80	3.26	-71.35
COCC[N@@H+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C1	REAL300012584257	0	52	0.0	-48.66	395.02	9.60	-39.06
COCC[N@H+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C1	REAL300012584257	1	52	0.0	-47.76	398.76	9.30	-38.46
CCC(CC)(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584258	0	48	0.0	-71.17	351.88	4.71	-66.46
CCC(CC)(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584258	1	48	0.0	-72.87	350.87	5.05	-67.82
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)C1	REAL300012584259	0	50	0.0	-74.04	395.25	5.17	-68.87
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)C1	REAL300012584259	1	50	0.0	-72.53	398.25	4.90	-67.63
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CCOC)C1	REAL300012584260	0	48	0.0	-53.80	362.82	6.76	-47.04
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CCOC)C1	REAL300012584260	1	48	0.0	-57.55	358.45	6.97	-50.58
CCC(COC)(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584261	0	49	0.0	-76.76	371.11	4.16	-72.60
CCC(COC)(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584261	1	49	0.0	-76.98	369.19	4.40	-72.58
COCC[N@@H+]1CCC(NC(=O)N(C)C(COC(C)C)C(=O)[O-])C1	REAL300012584262	0	52	0.0	-70.17	392.13	5.86	-64.31
COCC[N@H+]1CCC(NC(=O)N(C)C(COC(C)C)C(=O)[O-])C1	REAL300012584262	1	52	0.0	-70.85	393.98	5.68	-65.17
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012584263	0	49	0.0	-75.45	376.10	2.01	-73.44
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012584263	1	49	0.0	-76.91	377.91	1.76	-75.15
COCCC(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584264	0	46	0.0	-72.12	365.96	2.65	-69.47
COCCC(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584264	1	46	0.0	-72.72	363.81	2.85	-69.87
COCC[N@@H+]1CCC(NC(=O)N(C)C(CC(C)C)C(=O)[O-])C1	REAL300012584265	0	51	0.0	-70.45	378.71	7.22	-63.23
COCC[N@H+]1CCC(NC(=O)N(C)C(CC(C)C)C(=O)[O-])C1	REAL300012584265	1	51	0.0	-68.79	380.94	6.92	-61.87
COCC[N@@H+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012584266	0	42	0.0	-72.10	342.49	4.07	-68.03
COCC[N@H+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012584266	1	42	0.0	-71.15	344.39	3.94	-67.21
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CCOC)C1	REAL300012584267	0	52	0.0	-77.75	385.14	7.97	-69.78
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CCOC)C1	REAL300012584267	1	52	0.0	-79.19	383.26	8.15	-71.04
CCCN(C(=O)NC1CC[N@H+](CCOC)C1)C(C)C(=O)[O-]	REAL300012584268	0	48	0.0	-58.38	360.73	6.11	-52.27
CCCN(C(=O)NC1CC[N@@H+](CCOC)C1)C(C)C(=O)[O-]	REAL300012584268	1	48	0.0	-47.40	359.89	7.15	-40.25
COCC[N@@H+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012584269	0	52	0.0	-51.61	397.05	9.37	-42.24
COCC[N@H+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012584269	1	52	0.0	-48.53	398.21	9.04	-39.49
CCC(NC(=O)NC1CC[N@H+](CCOC)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012584270	0	52	0.0	-69.74	409.14	7.81	-61.93
CCC(NC(=O)NC1CC[N@@H+](CCOC)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012584270	1	52	0.0	-70.67	407.29	8.06	-62.61
CCC(NC(=O)NC1CC[N@H+](CCOC)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012584271	0	52	0.0	-72.84	392.41	7.29	-65.55
CCC(NC(=O)NC1CC[N@@H+](CCOC)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012584271	1	52	0.0	-73.66	390.56	7.54	-66.12
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)C1	REAL300012584272	0	56	0.0	-75.12	421.15	5.25	-69.87
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)C1	REAL300012584272	1	56	0.0	-74.19	420.67	5.04	-69.15
COCC[N@@H+]1CCC(NC(=O)NC(CC2(OC)CCC2)C(=O)[O-])C1	REAL300012584273	0	53	0.0	-73.02	399.39	5.24	-67.78
COCC[N@H+]1CCC(NC(=O)NC(CC2(OC)CCC2)C(=O)[O-])C1	REAL300012584273	1	53	0.0	-73.46	401.87	4.99	-68.47
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012584274	0	50	0.0	-58.14	372.90	5.51	-52.63
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012584274	1	50	0.0	-55.31	373.92	5.17	-50.14
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012584275	0	52	0.0	-54.56	381.13	7.88	-46.68
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012584275	1	52	0.0	-56.32	383.81	7.63	-48.69
COCC[N@@H+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300012584276	0	52	0.0	-75.48	372.91	6.39	-69.09
COCC[N@H+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300012584276	1	52	0.0	-74.99	374.79	6.13	-68.86
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300012584277	0	50	0.0	-75.04	395.21	5.18	-69.86
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300012584277	1	50	0.0	-75.04	397.19	4.94	-70.10
COCC[N@@H+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012584278	0	45	0.0	-66.32	340.88	4.29	-62.03
COCC[N@H+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012584278	1	45	0.0	-68.03	343.01	4.10	-63.93
COCC[N@@H+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012584279	0	47	0.0	-61.54	363.20	6.49	-55.05
COCC[N@H+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012584279	1	47	0.0	-62.10	364.48	6.10	-56.00
COCC[N@@H+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012584280	0	43	0.0	-74.24	344.10	5.51	-68.73
COCC[N@H+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012584280	1	43	0.0	-72.06	345.42	5.20	-66.86
COCC[N@@H+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300012584281	0	50	0.0	-75.63	395.15	5.15	-70.48
COCC[N@H+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300012584281	1	50	0.0	-74.53	397.02	4.82	-69.71
COCC[N@@H+]1CCC(NC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])C1	REAL300012584282	0	52	0.0	-75.56	395.23	6.64	-68.92
COCC[N@H+]1CCC(NC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])C1	REAL300012584282	1	52	0.0	-76.13	395.64	6.27	-69.86
COCC[N@@H+]1CCC(NC(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])C1	REAL300012584283	0	53	0.0	-78.27	417.50	6.11	-72.16
COCC[N@H+]1CCC(NC(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])C1	REAL300012584283	1	53	0.0	-76.56	420.44	5.85	-70.71
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012584284	0	55	0.0	-74.75	387.50	6.87	-67.88
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012584284	1	55	0.0	-75.39	388.65	6.55	-68.84
COCC[N@@H+]1CCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012584285	0	52	0.0	-71.12	408.08	7.55	-63.57
COCC[N@H+]1CCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012584285	1	52	0.0	-70.60	410.57	7.31	-63.29
COCC[N@@H+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012584286	0	51	0.0	-66.56	402.34	7.30	-59.26
COCC[N@H+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012584286	1	51	0.0	-67.55	403.43	6.99	-60.56
COCC[N@@H+]1CCC(NC(=O)N2CC(OC)CC2(C)C(=O)[O-])C1	REAL300012584287	0	50	0.0	-77.41	377.35	5.30	-72.11
COCC[N@H+]1CCC(NC(=O)N2CC(OC)CC2(C)C(=O)[O-])C1	REAL300012584287	1	50	0.0	-75.31	380.70	4.92	-70.39
COCC[N@@H+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012584288	0	53	0.0	-71.33	400.73	4.63	-66.70
COCC[N@H+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012584288	1	53	0.0	-70.33	398.92	5.17	-65.16
COCC[N@@H+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012584289	0	48	0.0	-73.13	360.40	4.93	-68.20
COCC[N@H+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012584289	1	48	0.0	-71.30	360.66	4.68	-66.62
C=C(Cl)CC(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584290	0	43	0.0	-72.22	358.58	4.86	-67.36
C=C(Cl)CC(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584290	1	43	0.0	-72.78	361.55	4.65	-68.13
COCC[N@@H+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012584291	0	47	0.0	-85.37	351.18	7.14	-78.23
COCC[N@H+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012584291	1	47	0.0	-84.59	352.00	6.83	-77.76
COCC[N@@H+]1CCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012584292	0	52	0.0	-71.79	397.76	7.10	-64.69
COCC[N@H+]1CCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012584292	1	52	0.0	-71.25	400.26	6.86	-64.39
COCC[N@@H+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012584293	0	43	0.0	-72.38	342.24	5.48	-66.90
COCC[N@H+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012584293	1	43	0.0	-71.89	345.18	5.12	-66.77
COCC[N@@H+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012584294	0	43	0.0	-77.42	335.36	5.37	-72.05
COCC[N@H+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012584294	1	43	0.0	-75.87	337.62	5.13	-70.74
COCC[N@@H+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012584295	0	53	0.0	-72.04	396.84	5.27	-66.77
COCC[N@H+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012584295	1	53	0.0	-71.36	398.72	5.03	-66.33
COCC[N@@H+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300012584296	0	48	0.0	-72.38	368.19	5.10	-67.28
COCC[N@H+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300012584296	1	48	0.0	-70.79	369.74	4.86	-65.93
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012584297	0	50	0.0	-75.33	374.10	3.59	-71.74
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012584297	1	50	0.0	-72.38	375.45	3.36	-69.02
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584298	0	46	0.0	-73.54	365.16	5.90	-67.64
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584298	1	46	0.0	-70.37	367.48	5.65	-64.72
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300012584299	0	49	0.0	-71.85	404.77	6.90	-64.95
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300012584299	1	49	0.0	-71.83	406.75	6.66	-65.17
COCC[N@@H+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012584300	0	45	0.0	-71.99	374.56	4.00	-67.99
COCC[N@H+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012584300	1	45	0.0	-69.27	376.71	3.73	-65.54
COCC[N@@H+]1CCC(NC(=O)NC(CCCC(C)C)C(=O)[O-])C1	REAL300012584301	0	54	0.0	-71.62	411.37	6.64	-64.98
COCC[N@H+]1CCC(NC(=O)NC(CCCC(C)C)C(=O)[O-])C1	REAL300012584301	1	54	0.0	-71.27	414.11	6.49	-64.78
COCC[N@@H+]1CCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012584302	0	52	0.0	-70.56	417.69	7.27	-63.29
COCC[N@H+]1CCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012584302	1	52	0.0	-70.84	420.87	6.96	-63.88
COCC[N@@H+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012584303	0	50	0.0	-75.29	384.92	4.17	-71.12
COCC[N@H+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012584303	1	50	0.0	-75.76	387.39	3.91	-71.85
COCC[N@@H+]1CCC(NC(=O)NC(CSC)C(=O)[O-])C1	REAL300012584304	0	43	0.0	-67.84	353.84	4.13	-63.71
COCC[N@H+]1CCC(NC(=O)NC(CSC)C(=O)[O-])C1	REAL300012584304	1	43	0.0	-68.53	355.08	4.04	-64.49
COCC[N@@H+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012584305	0	49	0.0	-72.05	394.09	6.94	-65.11
COCC[N@H+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012584305	1	49	0.0	-71.01	396.73	6.68	-64.33
CCC(C)CC(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584306	0	51	0.0	-71.93	389.10	5.61	-66.32
CCC(C)CC(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584306	1	51	0.0	-70.67	387.20	5.75	-64.92
C=CCCCC(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584307	0	49	0.0	-71.18	385.12	5.92	-65.26
C=CCCCC(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584307	1	49	0.0	-71.35	387.85	5.76	-65.59
COCC[N@@H+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012584308	0	49	0.0	-71.94	394.58	6.92	-65.02
COCC[N@H+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012584308	1	49	0.0	-71.04	396.08	6.63	-64.41
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012584309	0	52	0.0	-68.87	406.54	8.25	-60.62
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012584309	1	52	0.0	-69.70	408.78	7.93	-61.77
COCC[N@@H+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012584310	0	44	0.0	-78.92	340.40	6.91	-72.01
COCC[N@H+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012584310	1	44	0.0	-78.71	341.93	6.47	-72.24
COCC[N@@H+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584311	0	49	0.0	-74.41	373.59	6.65	-67.76
COCC[N@H+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584311	1	49	0.0	-72.75	375.44	6.40	-66.35
COCC[N@@H+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012584312	0	47	0.0	-85.49	350.46	7.27	-78.22
COCC[N@H+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012584312	1	47	0.0	-82.91	351.75	6.95	-75.96
CCN(C(=O)NC1CC[N@H+](CCOC)C1)C(C)(C)C(=O)[O-]	REAL300012584313	0	48	0.0	-74.29	356.85	6.31	-67.98
CCN(C(=O)NC1CC[N@@H+](CCOC)C1)C(C)(C)C(=O)[O-]	REAL300012584313	1	48	0.0	-74.91	354.43	6.57	-68.34
CCCN(C(=O)NC1CC[N@H+](CCOC)C1)C(C)C(=O)[O-]	REAL300012584314	0	48	0.0	-58.38	360.73	6.11	-52.27
CCCN(C(=O)NC1CC[N@@H+](CCOC)C1)C(C)C(=O)[O-]	REAL300012584314	1	48	0.0	-47.40	359.89	7.15	-40.25
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012584315	0	42	0.0	-73.78	334.78	5.92	-67.86
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012584315	1	42	0.0	-66.42	343.78	5.76	-60.66
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012584316	0	42	0.0	-73.78	334.78	5.92	-67.86
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012584316	1	42	0.0	-66.42	343.78	5.76	-60.66
COCC[N@@H+]1CCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012584317	0	55	0.0	-59.44	416.42	4.09	-55.35
COCC[N@H+]1CCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012584317	1	55	0.0	-57.39	412.29	3.52	-53.87
COCC[N@@H+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012584318	0	44	0.0	-78.56	339.84	2.01	-76.55
COCC[N@H+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012584318	1	44	0.0	-77.92	342.34	1.70	-76.22
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COCC[N@@H+]1CCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012584322	0	51	0.0	-71.86	385.25	7.01	-64.85
COCC[N@H+]1CCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012584322	1	51	0.0	-69.58	387.32	6.75	-62.83
COCC[N@@H+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584323	0	46	0.0	-71.37	365.99	5.95	-65.42
COCC[N@H+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584323	1	46	0.0	-72.17	367.53	5.54	-66.63
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COCC[N@@H+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012584325	0	51	0.0	-71.65	406.19	5.87	-65.78
COCC[N@H+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012584325	1	51	0.0	-73.44	408.33	5.67	-67.77
COCC[N@@H+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012584326	0	45	0.0	-69.70	374.00	3.82	-65.88
COCC[N@H+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012584326	1	45	0.0	-74.30	377.32	3.61	-70.69
COCC[N@@H+]1CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012584327	0	46	0.0	-68.70	394.02	5.72	-62.98
COCC[N@H+]1CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012584327	1	46	0.0	-67.08	394.99	5.29	-61.79
COCC[N@@H+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012584328	0	46	0.0	-86.92	359.28	3.21	-83.71
COCC[N@H+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012584328	1	46	0.0	-88.81	361.53	3.01	-85.80
COCC[N@@H+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012584329	0	47	0.0	-71.81	356.42	5.00	-66.81
COCC[N@H+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012584329	1	47	0.0	-73.26	359.24	4.79	-68.47
COCC[N@@H+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584330	0	46	0.0	-72.97	365.59	5.89	-67.08
COCC[N@H+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584330	1	46	0.0	-72.26	367.49	5.53	-66.73
COCC[N@@H+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012584331	0	49	0.0	-75.70	375.14	5.21	-70.49
COCC[N@H+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012584331	1	49	0.0	-71.33	381.44	4.98	-66.35
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012584332	0	49	0.0	-54.19	363.74	7.18	-47.01
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012584332	1	49	0.0	-55.68	366.79	7.01	-48.67
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584333	0	48	0.0	-73.09	363.38	4.49	-68.60
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584333	1	48	0.0	-71.53	359.07	4.74	-66.79
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012584334	0	47	0.0	-81.50	361.32	1.71	-79.79
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012584334	1	47	0.0	-75.31	364.36	1.46	-73.85
COCC[N@@H+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300012584335	0	55	0.0	-72.54	409.22	5.03	-67.51
COCC[N@H+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300012584335	1	55	0.0	-72.85	411.89	4.77	-68.08
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)C1	REAL300012584336	0	49	0.0	-75.64	365.66	5.50	-70.14
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)C1	REAL300012584336	1	49	0.0	-74.26	366.41	5.22	-69.04
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012584337	0	52	0.0	-75.67	375.74	6.23	-69.44
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012584337	1	52	0.0	-75.18	377.64	6.02	-69.16
COCCC(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584338	0	46	0.0	-72.12	365.96	2.65	-69.47
COCCC(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584338	1	46	0.0	-72.72	363.81	2.85	-69.87
COCC[N@@H+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012584339	0	52	0.0	-70.27	397.04	8.72	-61.55
COCC[N@H+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012584339	1	52	0.0	-71.12	398.42	8.49	-62.63
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012584340	0	49	0.0	-75.43	367.24	6.20	-69.23
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012584340	1	49	0.0	-76.58	370.15	5.93	-70.65
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C1	REAL300012584341	0	56	0.0	-78.87	414.74	8.27	-70.60
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C1	REAL300012584341	1	56	0.0	-77.23	417.08	8.00	-69.23
COCC[N@@H+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300012584342	0	55	0.0	-74.78	413.83	5.04	-69.74
COCC[N@H+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300012584342	1	55	0.0	-73.74	416.17	4.74	-69.00
COCC[N@@H+]1CCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012584343	0	44	0.0	-86.18	340.33	2.20	-83.98
COCC[N@H+]1CCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012584343	1	44	0.0	-84.02	341.26	1.95	-82.07
COCC[N@@H+]1CCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012584344	0	54	0.0	-60.97	407.78	9.33	-51.64
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COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012584345	0	47	0.0	-69.93	360.40	2.83	-67.10
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012584345	1	47	0.0	-71.49	365.96	2.73	-68.76
COCC[N@@H+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012584346	0	47	0.0	-82.65	350.41	6.82	-75.83
COCC[N@H+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012584346	1	47	0.0	-80.85	352.11	6.48	-74.37
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012584347	0	50	0.0	-80.21	397.85	6.03	-74.18
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COCC[N@@H+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012584348	0	45	0.0	-78.58	342.95	4.58	-74.00
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COCC[N@@H+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012584351	0	53	0.0	-72.66	402.02	7.01	-65.65
COCC[N@H+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012584351	1	53	0.0	-70.78	399.61	7.31	-63.47
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012584352	0	59	0.0	-72.65	423.44	6.63	-66.02
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COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012584353	0	52	0.0	-71.01	385.44	6.22	-64.79
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COCC[N@@H+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012584354	0	53	0.0	-76.69	403.84	4.99	-71.70
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COCC[N@@H+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012584355	0	53	0.0	-50.51	374.86	7.47	-43.04
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COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012584356	0	53	0.0	-77.04	379.69	4.80	-72.24
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COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012584363	0	43	0.0	-73.12	339.87	4.51	-68.61
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COCC[N@@H+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)C1	REAL300012584364	0	47	0.0	-73.86	363.22	3.76	-70.10
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CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CCOC)C1	REAL300012584366	0	49	0.0	-77.48	363.65	7.21	-70.27
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CCOC)C1	REAL300012584366	1	49	0.0	-78.86	359.66	7.15	-71.71
COCC[N@@H+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012584367	0	42	0.0	-64.26	345.83	4.56	-59.70
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COCC[N@@H+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012584368	0	50	0.0	-70.49	380.20	4.61	-65.88
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COCC[N@@H+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012584369	0	46	0.0	-70.40	379.97	5.86	-64.54
COCC[N@H+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012584369	1	46	0.0	-70.29	382.07	5.56	-64.73
COCC[N@@H+]1CCC(NC(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584370	0	53	0.0	-72.12	406.77	5.86	-66.26
COCC[N@H+]1CCC(NC(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012584370	1	53	0.0	-71.61	409.52	5.57	-66.04
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COCC[N@@H+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012584419	0	49	0.0	-76.63	394.41	6.88	-69.75
COCC[N@H+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012584419	1	49	0.0	-74.15	396.52	6.63	-67.52
COCC[N@@H+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012584420	0	46	0.0	-72.93	379.22	5.83	-67.10
COCC[N@H+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012584420	1	46	0.0	-71.44	381.37	5.59	-65.85
COCC[N@@H+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012584421	0	46	0.0	-72.30	358.04	6.43	-65.87
COCC[N@H+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012584421	1	46	0.0	-70.20	359.16	6.05	-64.15
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COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012584422	1	50	0.0	-75.14	394.30	6.22	-68.92
COCC[N@@H+]1CCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012584423	0	54	0.0	-77.56	416.81	8.20	-69.36
COCC[N@H+]1CCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012584423	1	54	0.0	-76.81	419.25	7.62	-69.19
COCC[N@@H+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012584424	0	46	0.0	-72.93	379.22	5.83	-67.10
COCC[N@H+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012584424	1	46	0.0	-71.44	381.37	5.59	-65.85
COCC[N@@H+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012584425	0	50	0.0	-78.88	367.63	6.94	-71.94
COCC[N@H+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012584425	1	50	0.0	-79.53	368.96	6.54	-72.99
COCCCC(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584426	0	49	0.0	-70.59	387.21	3.49	-67.10
COCCCC(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584426	1	49	0.0	-71.62	385.31	3.62	-68.00
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CCOC)C1	REAL300012584427	0	48	0.0	-69.97	364.05	6.30	-63.67
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CCOC)C1	REAL300012584427	1	48	0.0	-68.51	361.71	6.60	-61.91
CCOCC(NC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300012584428	0	46	0.0	-73.23	365.51	2.80	-70.43
CCOCC(NC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300012584428	1	46	0.0	-71.95	363.37	3.10	-68.85
COCC[N@@H+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012584429	0	51	0.0	-70.61	380.98	6.18	-64.43
COCC[N@H+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012584429	1	51	0.0	-71.64	382.07	5.87	-65.77
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012584430	0	50	0.0	-73.80	380.55	3.93	-69.87
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012584430	1	50	0.0	-72.99	380.21	3.72	-69.27
COCC[N@@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012584431	0	50	0.0	-76.29	384.97	7.17	-69.12
COCC[N@H+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012584431	1	50	0.0	-73.84	387.11	6.87	-66.97
COCC[N@@H+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012584432	0	47	0.0	-79.38	350.44	5.02	-74.36
COCC[N@H+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012584432	1	47	0.0	-77.12	351.98	4.67	-72.45
COCC[N@@H+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012584433	0	49	0.0	-75.16	370.70	6.67	-68.49
COCC[N@H+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012584433	1	49	0.0	-73.34	372.29	6.30	-67.04
COCC[N@@H+]1CCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012584434	0	60	0.0	-74.31	421.69	8.01	-66.30
COCC[N@H+]1CCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012584434	1	60	0.0	-75.27	423.06	7.66	-67.61
COCC[N@@H+]1CCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012584435	0	52	0.0	-76.55	417.97	7.05	-69.50
COCC[N@H+]1CCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012584435	1	52	0.0	-75.71	420.66	6.86	-68.85
COCC[N@@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012584436	0	46	0.0	-55.29	368.72	6.79	-48.50
COCC[N@H+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012584436	1	46	0.0	-57.93	370.72	6.50	-51.43
COCC[N@@H+]1CCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012584437	0	57	0.0	-80.74	400.47	7.57	-73.17
COCC[N@H+]1CCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012584437	1	57	0.0	-78.51	403.58	6.99	-71.52
COCC[N@@H+]1CCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012584438	0	48	0.0	-71.71	399.80	5.57	-66.14
COCC[N@H+]1CCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012584438	1	48	0.0	-71.91	401.25	5.20	-66.71
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](CCOC)C2)C1	REAL300012584439	0	50	0.0	-74.48	384.60	5.46	-69.02
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](CCOC)C2)C1	REAL300012584439	1	50	0.0	-75.58	383.90	5.56	-70.02
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC(C3=CC=CO3)=NN2)CC1	REAL300012584887	0	53	0.0	-71.13	428.57	5.37	-65.76
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOCC2CCOC2)CC1	REAL300012585177	0	58	0.0	-62.69	437.62	4.40	-58.29
CC(C)C[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585305	0	57	0.0	-72.88	428.09	9.96	-62.92
C=CCOCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585306	0	56	0.0	-71.27	435.93	8.47	-62.80
C=CC(C)C(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585307	0	55	0.0	-69.64	414.24	9.54	-60.10
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012585308	0	59	0.0	-72.44	439.48	8.67	-63.77
COC1CCN(C(=O)NC2CC[NH+](C(C)C3=CC=CC=C3)CC2)C(C(=O)[O-])C1	REAL300012585309	0	59	0.0	-79.76	431.84	10.80	-68.96
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012585310	0	59	0.0	-71.75	433.90	8.44	-63.31
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012585311	0	58	0.0	-81.22	405.21	11.62	-69.60
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585312	0	54	0.0	-59.70	408.87	11.20	-48.50
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C1CCC1	REAL300012585313	0	58	0.0	-61.10	421.70	11.53	-49.57
CCCN(C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(COC)C(=O)[O-]	REAL300012585314	0	61	0.0	-68.81	446.68	10.79	-58.02
CCCN(C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(CC)C(=O)[O-]	REAL300012585315	0	60	0.0	-67.17	435.15	12.07	-55.10
CC(C)C(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585316	0	54	0.0	-68.79	400.89	9.04	-59.75
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012585317	0	55	0.0	-82.33	392.88	11.43	-70.90
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012585318	0	53	0.0	-75.10	399.02	11.55	-63.55
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012585319	0	58	0.0	-71.49	418.95	10.84	-60.65
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012585320	0	52	0.0	-79.63	381.14	9.80	-69.83
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012585321	0	55	0.0	-71.55	404.43	9.73	-61.82
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012585322	0	61	0.0	-72.01	424.61	11.50	-60.51
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012585323	0	58	0.0	-70.81	447.87	11.65	-59.16
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012585324	0	58	0.0	-59.80	446.37	13.45	-46.35
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NCC(=O)[O-])CC1	REAL300012585325	0	45	0.0	-62.21	346.83	6.79	-55.42
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012585326	0	55	0.0	-73.75	425.61	10.70	-63.05
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012585327	0	55	0.0	-70.79	425.62	10.71	-60.08
CCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585328	0	51	0.0	-69.36	389.45	8.64	-60.72
CC(C)C(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585329	0	54	0.0	-68.79	400.89	9.04	-59.75
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(C)CC(=O)[O-])CC1	REAL300012585330	0	48	0.0	-68.78	365.57	9.47	-59.31
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012585331	0	58	0.0	-70.81	447.87	11.65	-59.16
CC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585332	0	48	0.0	-62.98	367.45	7.63	-55.35
CCC(C)C(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585333	0	57	0.0	-72.27	420.69	9.59	-62.68
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(C)CC(=O)[O-])CC1	REAL300012585334	0	48	0.0	-68.78	365.57	9.47	-59.31
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012585335	0	55	0.0	-82.33	392.88	11.43	-70.90
CCCC(C)(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585336	0	57	0.0	-67.96	415.08	9.75	-58.21
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585337	0	54	0.0	-68.67	397.00	10.72	-57.95
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012585338	0	52	0.0	-69.54	392.22	10.86	-58.68
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585339	0	52	0.0	-59.53	400.19	11.01	-48.52
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585340	0	57	0.0	-59.16	423.29	11.50	-47.66
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012585341	0	51	0.0	-61.63	380.19	8.01	-53.62
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012585342	0	55	0.0	-71.24	403.00	9.75	-61.49
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012585343	0	52	0.0	-72.07	417.23	9.79	-62.28
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012585344	0	58	0.0	-71.49	418.95	10.84	-60.65
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585345	0	54	0.0	-68.67	397.00	10.72	-57.95
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585346	0	54	0.0	-59.70	408.87	11.20	-48.50
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585347	0	51	0.0	-68.85	387.37	10.46	-58.39
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585348	0	57	0.0	-72.23	420.67	9.59	-62.64
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012585349	0	55	0.0	-71.55	404.43	9.73	-61.82
CCC(C)(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585350	0	54	0.0	-67.76	393.58	9.00	-58.76
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012585351	0	58	0.0	-72.12	433.40	11.48	-60.64
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300012585352	0	48	0.0	-64.10	367.44	7.62	-56.48
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585353	0	51	0.0	-68.85	387.37	10.46	-58.39
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N[C@H](C)C(=O)[O-])CC1	REAL300012585354	0	48	0.0	-64.25	367.60	7.60	-56.65
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012585355	0	49	0.0	-77.95	365.80	8.48	-69.47
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012585356	0	53	0.0	-74.02	390.40	9.08	-64.94
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012585357	0	61	0.0	-76.01	428.21	12.14	-63.87
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012585358	0	52	0.0	-73.12	399.19	9.16	-63.96
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012585359	0	58	0.0	-76.50	436.00	12.24	-64.26
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585360	0	55	0.0	-60.62	418.75	9.63	-50.99
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012585361	0	52	0.0	-79.45	390.43	10.12	-69.33
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012585362	0	55	0.0	-76.38	398.99	11.54	-64.84
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012585363	0	51	0.0	-68.81	380.46	9.69	-59.12
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012585364	0	52	0.0	-79.61	381.12	9.80	-69.81
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012585365	0	52	0.0	-72.55	390.56	9.32	-63.23
C=CCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585366	0	52	0.0	-70.91	402.76	9.07	-61.84
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012585367	0	55	0.0	-76.49	405.73	11.03	-65.46
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012585368	0	58	0.0	-80.10	412.32	12.18	-67.92
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012585369	0	52	0.0	-73.12	399.19	9.16	-63.96
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585370	0	51	0.0	-68.40	379.40	9.64	-58.76
CCCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585371	0	57	0.0	-71.34	432.44	10.17	-61.17
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012585372	0	55	0.0	-77.65	405.32	11.06	-66.59
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012585373	0	58	0.0	-59.20	424.16	11.97	-47.23
COCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585374	0	52	0.0	-72.62	400.82	6.86	-65.76
CCCCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585375	0	60	0.0	-68.71	453.70	11.02	-57.69
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012585376	0	59	0.0	-59.36	432.14	10.34	-49.02
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012585377	0	58	0.0	-76.88	414.88	11.43	-65.45
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C1CC1	REAL300012585378	0	55	0.0	-58.96	405.78	11.12	-47.84
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C1CC1	REAL300012585379	0	58	0.0	-58.30	427.22	12.32	-45.98
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012585380	0	55	0.0	-78.35	429.18	10.80	-67.55
CC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)C3=CC=CC=C3)CC2)C(=O)[O-])C=C1	REAL300012585381	0	58	0.0	-70.46	446.75	11.46	-59.00
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012585382	0	51	0.0	-63.55	405.13	9.40	-54.15
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012585383	0	56	0.0	-67.96	416.64	10.52	-57.44
COCC(C)(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585384	0	55	0.0	-72.17	411.83	8.28	-63.89
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585385	0	58	0.0	-70.02	431.21	10.13	-59.89
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585386	0	57	0.0	-59.16	423.29	11.50	-47.66
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012585387	0	52	0.0	-69.54	392.22	10.86	-58.68
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012585388	0	53	0.0	-69.80	395.08	7.14	-62.66
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012585389	0	61	0.0	-71.34	443.18	10.83	-60.51
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012585390	0	56	0.0	-70.94	410.37	8.34	-62.60
C=CCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585391	0	55	0.0	-69.09	423.75	9.96	-59.13
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CF)C(=O)[O-])CC1	REAL300012585392	0	48	0.0	-60.34	371.23	7.63	-52.71
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585393	0	51	0.0	-68.40	379.40	9.64	-58.76
CCC(CC)(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585394	0	57	0.0	-68.76	409.97	9.89	-58.87
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585395	0	57	0.0	-59.17	418.10	11.78	-47.39
CCC(COC)(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585396	0	58	0.0	-73.31	428.27	9.19	-64.12
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585397	0	61	0.0	-70.51	451.48	10.88	-59.63
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012585398	0	55	0.0	-70.61	420.67	10.17	-60.44
COCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585399	0	55	0.0	-69.18	422.88	7.75	-61.43
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585400	0	60	0.0	-70.31	438.68	12.06	-58.25
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012585401	0	51	0.0	-66.33	399.23	9.17	-57.16
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585402	0	61	0.0	-78.92	439.96	13.03	-65.89
CCCN(C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012585403	0	57	0.0	-54.15	420.04	12.01	-42.14
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012585404	0	51	0.0	-67.84	395.80	8.83	-59.01
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012585405	0	59	0.0	-59.36	432.14	10.34	-49.02
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012585406	0	61	0.0	-59.56	441.55	12.67	-46.89
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012585407	0	61	0.0	-76.51	424.79	10.88	-65.63
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012585408	0	54	0.0	-65.05	400.17	9.14	-55.91
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012585409	0	56	0.0	-62.75	423.32	11.32	-51.43
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012585410	0	52	0.0	-71.60	404.01	10.25	-61.35
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012585411	0	51	0.0	-67.81	380.46	9.70	-58.11
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012585412	0	53	0.0	-80.64	396.61	11.11	-69.53
COC1CN(C(=O)NC2CC[NH+](C(C)C3=CC=CC=C3)CC2)C(C)(C(=O)[O-])C1	REAL300012585413	0	59	0.0	-75.65	437.66	10.05	-65.60
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012585414	0	57	0.0	-73.69	420.23	9.73	-63.96
C=C(Cl)CC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585415	0	52	0.0	-71.00	417.88	9.71	-61.29
C=C(C)CC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585416	0	55	0.0	-69.76	421.02	9.94	-59.82
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012585417	0	56	0.0	-82.53	410.30	11.95	-70.58
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012585418	0	52	0.0	-71.56	403.38	10.28	-61.28
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012585419	0	52	0.0	-77.31	396.91	10.20	-67.11
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)C3=CC=CC=C3)CC2)C1	REAL300012585420	0	53	0.0	-81.28	395.82	9.96	-71.32
CC(C)C[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585421	0	57	0.0	-72.88	428.09	9.96	-62.92
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012585422	0	59	0.0	-72.44	439.48	8.67	-63.77
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012585423	0	55	0.0	-70.79	425.62	10.71	-60.08
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012585424	0	55	0.0	-70.61	420.67	10.17	-60.44
CC(C)CCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585425	0	63	0.0	-70.71	470.67	11.49	-59.22
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012585426	0	59	0.0	-76.81	445.63	9.02	-67.79
CSCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585427	0	52	0.0	-68.62	412.92	9.04	-59.58
COC[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585428	0	52	0.0	-73.52	400.80	6.86	-66.66
CC[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585429	0	51	0.0	-72.51	389.43	8.63	-63.88
CCC(C)CC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585430	0	60	0.0	-69.50	446.38	10.59	-58.91
C=CCCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585431	0	58	0.0	-70.92	445.25	10.73	-60.19
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012585432	0	53	0.0	-75.10	399.02	11.55	-63.55
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012585433	0	58	0.0	-72.12	433.40	11.48	-60.64
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012585434	0	52	0.0	-79.45	390.43	10.12	-69.33
CCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585435	0	54	0.0	-68.84	410.70	9.46	-59.38
CC(C)[C@@H](NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585436	0	54	0.0	-71.65	404.55	9.24	-62.41
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012585437	0	56	0.0	-82.97	409.79	12.10	-70.87
CCN(C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012585438	0	57	0.0	-70.80	414.11	11.38	-59.42
CCCN(C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012585439	0	57	0.0	-54.15	420.04	12.01	-42.14
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012585440	0	51	0.0	-65.37	401.99	10.94	-54.43
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012585441	0	51	0.0	-65.37	401.99	10.94	-54.43
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012585442	0	54	0.0	-74.05	394.57	10.54	-63.51
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012585443	0	52	0.0	-79.61	381.12	9.80	-69.81
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012585444	0	53	0.0	-83.19	393.59	6.18	-77.01
CCC[C@@H](NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585445	0	54	0.0	-72.49	410.93	9.40	-63.09
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012585446	0	55	0.0	-73.75	425.61	10.70	-63.05
C=CCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585447	0	55	0.0	-69.09	423.75	9.96	-59.13
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012585448	0	56	0.0	-70.25	416.04	9.79	-60.46
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012585449	0	55	0.0	-80.31	398.62	10.44	-69.87
CC(C)[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585450	0	54	0.0	-72.97	406.47	9.20	-63.77
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012585451	0	55	0.0	-73.20	424.96	10.73	-62.47
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012585452	0	58	0.0	-71.31	435.04	10.04	-61.27
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012585453	0	51	0.0	-67.81	380.46	9.70	-58.11
CCC[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585454	0	54	0.0	-72.55	410.93	9.39	-63.16
CCN(C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012585455	0	54	0.0	-69.26	398.29	10.56	-58.70
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012585456	0	58	0.0	-59.20	424.16	11.97	-47.23
CC(CN(C)C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585457	0	54	0.0	-74.04	400.92	10.37	-63.67
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585458	0	57	0.0	-72.23	420.67	9.59	-62.64
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585459	0	54	0.0	-69.80	399.82	10.78	-59.02
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012585460	0	56	0.0	-72.79	422.82	6.61	-66.18
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012585461	0	58	0.0	-71.86	425.50	10.35	-61.51
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012585462	0	61	0.0	-75.71	435.44	11.05	-64.66
COCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585463	0	55	0.0	-69.18	422.88	7.75	-61.43
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012585464	0	58	0.0	-77.84	419.05	10.70	-67.14
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012585465	0	55	0.0	-73.99	410.89	9.96	-64.03
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012585466	0	53	0.0	-84.24	399.51	6.99	-77.25
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012585467	0	56	0.0	-67.68	417.07	7.60	-60.08
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012585468	0	56	0.0	-80.05	410.52	11.65	-68.40
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012585469	0	54	0.0	-80.37	397.11	9.00	-71.37
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012585470	0	58	0.0	-81.80	412.51	12.06	-69.74
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012585471	0	62	0.0	-69.26	457.67	12.44	-56.82
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012585472	0	55	0.0	-72.70	409.11	9.59	-63.11
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012585473	0	61	0.0	-71.34	443.18	10.83	-60.51
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012585474	0	55	0.0	-72.70	409.11	9.59	-63.11
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012585475	0	55	0.0	-78.02	409.51	10.81	-67.21
C=CCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585476	0	52	0.0	-70.91	402.76	9.07	-61.84
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012585477	0	62	0.0	-52.93	428.52	11.73	-41.20
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012585478	0	56	0.0	-55.88	410.97	11.55	-44.33
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012585479	0	62	0.0	-69.26	457.67	12.44	-56.82
COC1CC(NC(=O)NC2CC[NH+](C(C)C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012585480	0	56	0.0	-74.94	423.93	8.28	-66.66
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012585481	0	52	0.0	-70.95	398.99	9.35	-61.60
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](C(C)C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012585482	0	56	0.0	-73.42	414.19	7.85	-65.57
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585483	0	58	0.0	-80.11	418.58	12.32	-67.79
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012585484	0	51	0.0	-63.55	405.13	9.40	-54.15
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012585485	0	59	0.0	-71.10	443.01	8.71	-62.39
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012585486	0	50	0.0	-67.11	381.38	6.35	-60.76
CC(C)C(C)(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585487	0	57	0.0	-68.37	408.51	9.62	-58.75
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012585488	0	53	0.0	-85.14	388.71	11.03	-74.11
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012585489	0	56	0.0	-76.01	411.42	11.29	-64.72
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012585490	0	62	0.0	-74.89	452.14	11.47	-63.42
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012585491	0	62	0.0	-53.00	449.96	12.49	-40.51
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012585492	0	62	0.0	-80.26	447.99	12.45	-67.81
C=CCSCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585493	0	56	0.0	-67.13	447.42	10.43	-56.70
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585494	0	57	0.0	-69.65	414.47	11.52	-58.13
COC1(C(NC(=O)NC2CC[NH+](C(C)C3=CC=CC=C3)CC2)C(=O)[O-])CCC1	REAL300012585495	0	59	0.0	-69.71	436.37	8.26	-61.45
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012585496	0	55	0.0	-75.53	422.56	10.17	-65.36
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012585498	0	52	0.0	-77.31	396.91	10.20	-67.11
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012585499	0	54	0.0	-56.53	396.25	11.03	-45.50
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012585500	0	58	0.0	-79.76	424.38	11.18	-68.58
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012585501	0	62	0.0	-80.64	436.81	12.87	-67.77
CC(C)CCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585502	0	60	0.0	-68.87	449.77	10.75	-58.12
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012585503	0	59	0.0	-53.23	435.09	12.02	-41.21
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012585504	0	59	0.0	-71.10	443.01	8.71	-62.39
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)C3=CC=CC=C3)CC2)C1	REAL300012585505	0	56	0.0	-76.13	431.93	11.67	-64.46
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012585506	0	59	0.0	-76.26	424.78	11.47	-64.79
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012585507	0	56	0.0	-75.91	411.93	10.56	-65.35
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012585508	0	59	0.0	-80.09	426.65	10.29	-69.80
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012585509	0	58	0.0	-70.68	432.86	10.34	-60.34
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585510	0	55	0.0	-73.18	418.95	7.88	-65.30
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012585511	0	55	0.0	-78.21	397.17	9.22	-68.99
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012585512	0	58	0.0	-59.80	446.37	13.45	-46.35
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012585513	0	58	0.0	-53.33	428.01	11.32	-42.01
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012585514	0	55	0.0	-74.89	410.29	11.62	-63.27
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012585515	0	52	0.0	-78.96	402.16	10.26	-68.70
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012585516	0	55	0.0	-69.72	417.39	11.20	-58.52
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012585517	0	59	0.0	-81.43	419.11	11.34	-70.09
COCCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585518	0	58	0.0	-70.65	444.62	8.46	-62.19
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1	REAL300012585519	0	57	0.0	-69.08	421.33	11.56	-57.52
CCOCC(NC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012585520	0	55	0.0	-70.86	423.02	7.89	-62.97
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012585521	0	60	0.0	-69.84	440.28	11.03	-58.81
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012585522	0	59	0.0	-75.10	440.19	9.17	-65.93
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012585523	0	56	0.0	-77.02	410.79	10.11	-66.91
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012585524	0	52	0.0	-70.78	410.30	9.14	-61.64
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012585525	0	55	0.0	-60.27	428.03	11.59	-48.68
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012585526	0	51	0.0	-68.81	380.46	9.69	-59.12
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)C3=CC=CC=C3)CC2)C1	REAL300012585527	0	59	0.0	-76.62	443.29	10.48	-66.14
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2F)CC1	REAL300012585922	0	59	0.0	-81.83	455.17	8.30	-73.53
C=CC(C)C(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012585923	0	57	0.0	-76.88	446.72	8.10	-68.78
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1	REAL300012585924	0	56	0.0	-71.09	436.14	9.52	-61.57
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C=C2F)CC1	REAL300012585925	0	56	0.0	-79.03	433.75	7.52	-71.51
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2F)CC1	REAL300012585926	0	57	0.0	-91.67	426.80	10.11	-81.56
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=C2F)CC1	REAL300012585927	0	54	0.0	-85.42	415.49	8.84	-76.58
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2F)CC1	REAL300012585928	0	57	0.0	-83.40	431.72	8.05	-75.35
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(=O)[O-])C=C2F)CC1	REAL300012585929	0	47	0.0	-68.49	374.09	5.08	-63.41
CCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012585930	0	53	0.0	-81.73	416.71	6.93	-74.80
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C=C2F)CC1	REAL300012585931	0	56	0.0	-79.03	433.75	7.52	-71.51
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2F)CC1	REAL300012585932	0	50	0.0	-77.66	392.82	7.77	-69.89
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)C(=O)[O-])C=C2F)CC1	REAL300012585933	0	50	0.0	-68.68	394.88	5.92	-62.76
CCC(C)C(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012585934	0	59	0.0	-83.08	451.69	8.14	-74.94
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C2F)CC1	REAL300012585935	0	50	0.0	-77.66	392.82	7.77	-69.89
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2F)CC1	REAL300012585936	0	57	0.0	-91.67	426.80	10.11	-81.56
CCCC(C)(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012585937	0	59	0.0	-83.06	442.34	8.06	-75.00
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C=C2F)CC1	REAL300012585938	0	56	0.0	-71.60	424.77	9.03	-62.57
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2F)CC1	REAL300012585939	0	54	0.0	-81.93	419.58	9.13	-72.80
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1	REAL300012585940	0	54	0.0	-70.83	427.46	9.32	-61.51
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C=C2F)CC1	REAL300012585941	0	59	0.0	-70.62	450.56	9.82	-60.80
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C2F)CC1	REAL300012585942	0	53	0.0	-67.38	407.46	6.31	-61.07
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=C2F)CC1	REAL300012585943	0	57	0.0	-84.72	430.35	8.04	-76.68
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C=C2F)CC1	REAL300012585944	0	56	0.0	-71.60	424.77	9.03	-62.57
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1	REAL300012585945	0	56	0.0	-71.09	436.14	9.52	-61.57
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1	REAL300012585946	0	53	0.0	-77.79	414.65	8.75	-69.04
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012585947	0	59	0.0	-82.83	447.95	7.90	-74.93
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2F)CC1	REAL300012585948	0	57	0.0	-83.40	431.72	8.05	-75.35
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(CC)C(=O)[O-])C=C2F)CC1	REAL300012585949	0	56	0.0	-82.72	420.85	7.30	-75.42
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H](C)C(=O)[O-])C=C2F)CC1	REAL300012585950	0	50	0.0	-68.68	394.88	5.91	-62.77
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1	REAL300012585951	0	53	0.0	-77.79	414.65	8.75	-69.04
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H](C)C(=O)[O-])C=C2F)CC1	REAL300012585952	0	50	0.0	-69.89	394.88	5.91	-63.98
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=C2F)CC1	REAL300012585953	0	51	0.0	-87.68	401.03	7.12	-80.56
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=C2F)CC1	REAL300012585954	0	55	0.0	-87.82	417.97	7.44	-80.38
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2F)CC1	REAL300012585955	0	54	0.0	-82.65	420.95	7.40	-75.25
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CCOC)CC(=O)[O-])C=C2F)CC1	REAL300012585956	0	57	0.0	-71.57	446.01	7.94	-63.63
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2F)CC1	REAL300012585957	0	54	0.0	-85.78	416.25	8.53	-77.25
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2F)CC1	REAL300012585958	0	57	0.0	-91.23	426.56	10.02	-81.21
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C=C2F)CC1	REAL300012585959	0	53	0.0	-76.13	407.74	8.00	-68.13
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2F)CC1	REAL300012585960	0	54	0.0	-88.72	415.46	8.85	-79.87
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=C2F)CC1	REAL300012585961	0	54	0.0	-87.51	417.96	7.63	-79.88
C=CCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012585962	0	54	0.0	-81.31	430.02	7.38	-73.93
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=C2F)CC1	REAL300012585963	0	57	0.0	-85.36	432.55	9.39	-75.97
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2F)CC1	REAL300012585964	0	54	0.0	-82.65	420.95	7.40	-75.25
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C=C2F)CC1	REAL300012585965	0	53	0.0	-76.59	406.81	8.01	-68.58
CCCCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012585966	0	59	0.0	-81.57	459.71	8.48	-73.09
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2F)CC1	REAL300012585967	0	57	0.0	-85.31	432.61	9.39	-75.92
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(COC)C(=O)[O-])C=C2F)CC1	REAL300012585968	0	54	0.0	-83.24	428.08	5.16	-78.08
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C(C)C(=O)[O-])C3CC3)C=C2F)CC1	REAL300012585969	0	57	0.0	-77.05	425.51	9.03	-68.02
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(COC)C(=O)[O-])C=C2F)CC1	REAL300012585970	0	57	0.0	-86.79	439.09	6.59	-80.20
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C=C2F)CC1	REAL300012585971	0	59	0.0	-70.62	450.56	9.82	-60.80
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2F)CC1	REAL300012585972	0	54	0.0	-81.93	419.58	9.13	-72.80
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=C2F)CC1	REAL300012585973	0	55	0.0	-81.88	422.36	5.44	-76.44
C=CCCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012585974	0	57	0.0	-81.23	451.02	8.26	-72.97
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C2F)CC1	REAL300012585975	0	50	0.0	-67.73	398.50	5.93	-61.80
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C=C2F)CC1	REAL300012585976	0	53	0.0	-76.59	406.81	8.01	-68.58
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC)(CC)C(=O)[O-])C=C2F)CC1	REAL300012585977	0	59	0.0	-80.79	437.24	8.20	-72.59
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1	REAL300012585978	0	59	0.0	-69.92	447.72	10.25	-59.67
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2F)CC1	REAL300012585979	0	57	0.0	-78.34	448.32	8.48	-69.86
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CCOC)C(=O)[O-])C=C2F)CC1	REAL300012585980	0	57	0.0	-81.53	450.38	5.99	-75.54
CCCN(C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(C)C(=O)[O-]	REAL300012585981	0	59	0.0	-74.29	446.37	9.58	-64.71
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C2F)CC1	REAL300012585982	0	53	0.0	-79.85	423.30	7.07	-72.78
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C2F)CC1	REAL300012585983	0	56	0.0	-79.34	427.44	7.44	-71.90
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C=C2F)CC1	REAL300012585984	0	53	0.0	-73.76	406.67	7.94	-65.82
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=C2F)CC1	REAL300012585985	0	55	0.0	-90.33	420.52	9.49	-80.84
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2F)CC1	REAL300012585986	0	59	0.0	-82.62	446.83	8.13	-74.49
C=C(C)CC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012585987	0	57	0.0	-81.44	449.47	8.14	-73.30
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2F)CC1	REAL300012585988	0	54	0.0	-85.74	421.96	8.94	-76.80
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CC[NH+](CC)CC3)C(F)=C2)C1	REAL300012585989	0	55	0.0	-88.91	429.65	8.93	-79.98
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2F)CC1	REAL300012585990	0	59	0.0	-81.83	455.17	8.30	-73.53
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2F)CC1	REAL300012585991	0	57	0.0	-78.34	448.32	8.48	-69.86
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CSC)C(=O)[O-])C=C2F)CC1	REAL300012585992	0	54	0.0	-78.85	439.50	7.38	-71.47
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H](COC)C(=O)[O-])C=C2F)CC1	REAL300012585993	0	54	0.0	-79.71	428.09	5.15	-74.56
CC[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012585994	0	53	0.0	-77.99	415.88	6.94	-71.05
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2F)CC1	REAL300012585995	0	54	0.0	-85.78	416.25	8.53	-77.25
CCCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012585996	0	56	0.0	-81.24	437.38	7.71	-73.53
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2F)CC1	REAL300012585997	0	56	0.0	-81.72	428.16	7.33	-74.39
CCN(C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(C)(C)C(=O)[O-]	REAL300012585998	0	59	0.0	-82.87	441.41	9.70	-73.17
CCCN(C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(C)C(=O)[O-]	REAL300012585999	0	59	0.0	-74.29	446.37	9.58	-64.71
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=C2F)CC1	REAL300012586000	0	56	0.0	-82.87	421.94	8.82	-74.05
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2F)CC1	REAL300012586001	0	54	0.0	-88.72	415.46	8.85	-79.87
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=C2F)CC1	REAL300012586002	0	55	0.0	-86.77	427.48	5.15	-81.62
CCC[C@@H](NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012586003	0	56	0.0	-81.39	437.97	7.75	-73.64
C=CCCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012586004	0	57	0.0	-81.23	451.02	8.26	-72.97
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2F)CC1	REAL300012586005	0	57	0.0	-88.88	432.57	9.40	-79.48
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C=C2F)CC1	REAL300012586006	0	56	0.0	-77.36	430.89	7.47	-69.89
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C=C2F)CC1	REAL300012586007	0	53	0.0	-73.76	406.67	7.94	-65.82
CCC[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012586008	0	56	0.0	-78.49	438.21	7.69	-70.80
CCN(C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(C)C(=O)[O-]	REAL300012586009	0	56	0.0	-78.02	425.68	8.86	-69.16
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)CC(C)C(=O)[O-])C=C2F)CC1	REAL300012586010	0	56	0.0	-77.85	427.94	8.44	-69.41
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012586011	0	59	0.0	-82.83	447.95	7.90	-74.93
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1	REAL300012586012	0	56	0.0	-74.45	427.14	8.92	-65.53
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CCOC)C(=O)[O-])C=C2F)CC1	REAL300012586013	0	57	0.0	-81.53	450.38	5.99	-75.54
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=C2F)CC1	REAL300012586014	0	57	0.0	-83.89	438.17	8.27	-75.62
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=C2F)CC1	REAL300012586015	0	55	0.0	-95.10	426.16	5.33	-89.77
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2F)CC1	REAL300012586016	0	57	0.0	-82.93	436.83	7.91	-75.02
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2F)CC1	REAL300012586017	0	57	0.0	-82.93	436.83	7.91	-75.02
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C)C3C(=O)[O-])C=C2F)CC1	REAL300012586018	0	57	0.0	-89.88	431.64	9.00	-80.88
C=CCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012586019	0	54	0.0	-81.31	430.02	7.38	-73.93
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=C2F)CC1	REAL300012586020	0	52	0.0	-80.49	408.66	4.68	-75.81
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C=C2F)CC1	REAL300012586021	0	59	0.0	-80.80	437.58	7.99	-72.81
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2F)CC1	REAL300012586022	0	55	0.0	-91.29	422.75	10.04	-81.25
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1	REAL300012586023	0	59	0.0	-78.88	441.75	9.81	-69.07
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2F)CC1	REAL300012586024	0	54	0.0	-85.74	421.96	8.94	-76.80
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C2F)CC1	REAL300012586025	0	57	0.0	-79.34	446.23	6.16	-73.18
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C=C2F)CC1	REAL300012586026	0	57	0.0	-89.32	439.71	8.68	-80.64
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1	REAL300012586027	0	59	0.0	-77.35	448.59	9.86	-67.49
CCOCC(NC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300012586028	0	57	0.0	-83.81	450.42	6.16	-77.65
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C2F)CC1	REAL300012586029	0	54	0.0	-81.55	436.71	7.45	-74.10
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C=C2F)CC1	REAL300012586030	0	53	0.0	-76.13	407.74	8.00	-68.13
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586031	0	56	0.0	-66.74	442.92	9.80	-56.94
CC(C)C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586032	0	56	0.0	-80.06	434.62	7.54	-72.52
O=C([O-])C1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586033	0	54	0.0	-86.81	422.26	9.15	-77.66
O=C([O-])CNC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586034	0	47	0.0	-71.45	380.88	5.38	-66.07
CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586035	0	53	0.0	-80.91	423.50	7.24	-73.67
CC(C)C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586036	0	56	0.0	-80.06	434.62	7.54	-72.52
CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586037	0	50	0.0	-79.85	399.62	8.07	-71.78
CC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586038	0	50	0.0	-71.88	401.50	6.24	-65.64
CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586039	0	50	0.0	-79.85	399.62	8.07	-71.78
CC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586040	0	56	0.0	-67.67	431.55	9.33	-58.34
O=C([O-])CN(C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1CC1	REAL300012586041	0	54	0.0	-63.32	424.97	9.61	-53.71
C=CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586042	0	54	0.0	-66.51	434.24	9.61	-56.90
CC(C)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586043	0	53	0.0	-70.39	414.24	6.62	-63.77
CC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586044	0	56	0.0	-67.67	431.55	9.33	-58.34
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586045	0	56	0.0	-66.74	442.92	9.80	-56.94
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586046	0	53	0.0	-80.02	421.43	9.05	-70.97
CCC(C)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586047	0	56	0.0	-80.16	427.63	7.61	-72.55
C[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586048	0	50	0.0	-72.00	401.67	6.22	-65.78
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586049	0	53	0.0	-80.02	421.43	9.05	-70.97
C[C@@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586050	0	50	0.0	-71.80	401.67	6.22	-65.58
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)CC1	REAL300012586051	0	51	0.0	-85.84	407.83	7.43	-78.41
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1CC1	REAL300012586052	0	54	0.0	-81.76	429.87	7.73	-74.03
O=C([O-])[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586053	0	54	0.0	-86.80	422.50	8.80	-78.00
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586054	0	53	0.0	-77.14	413.45	8.24	-68.90
O=C([O-])[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586055	0	54	0.0	-86.80	422.25	9.15	-77.65
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)CCC1	REAL300012586056	0	54	0.0	-84.61	424.62	7.96	-76.65
C=CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586057	0	54	0.0	-79.65	435.98	7.69	-71.96
O=C([O-])C(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1CC1	REAL300012586058	0	54	0.0	-81.76	429.87	7.73	-74.03
CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586059	0	53	0.0	-77.56	413.45	8.24	-69.32
COCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586060	0	54	0.0	-82.31	435.35	5.48	-76.83
O=C([O-])CN(C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1CC1	REAL300012586061	0	54	0.0	-63.32	424.97	9.61	-53.71
O=C([O-])C(CF)NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586062	0	50	0.0	-69.37	405.11	6.25	-63.12
CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586063	0	53	0.0	-77.56	413.45	8.24	-69.32
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586064	0	53	0.0	-77.01	414.51	8.30	-68.71
COC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586065	0	54	0.0	-81.86	434.89	5.47	-76.39
CC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586066	0	53	0.0	-80.96	423.50	7.25	-73.71
O=C([O-])[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586067	0	54	0.0	-86.80	422.50	8.80	-78.00
CCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586068	0	56	0.0	-80.87	445.00	8.00	-72.87
CC(C)[C@@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586069	0	56	0.0	-80.83	435.61	7.57	-73.26
CN(C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012586070	0	56	0.0	-83.04	428.73	9.12	-73.92
O=C([O-])[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586071	0	54	0.0	-86.80	422.25	9.15	-77.65
CCC[C@@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586072	0	56	0.0	-79.88	444.75	8.06	-71.82
CC(C)[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586073	0	56	0.0	-79.51	437.67	7.78	-71.73
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586074	0	53	0.0	-77.01	414.51	8.30	-68.71
CCC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586075	0	56	0.0	-80.22	444.18	8.03	-72.19
CCN(C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(C)C(=O)[O-]	REAL300012586076	0	56	0.0	-81.18	434.27	9.76	-71.42
CC(CN(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586077	0	56	0.0	-81.81	434.72	8.73	-73.08
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586078	0	56	0.0	-77.56	434.47	9.27	-68.29
C=CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012586079	0	54	0.0	-79.65	435.98	7.69	-71.96
O=C([O-])C1(NC(=O)NCCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)COC1	REAL300012586080	0	52	0.0	-79.32	415.60	4.98	-74.34
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012586081	0	53	0.0	-77.14	413.45	8.24	-68.90
CC(C)C[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586082	0	57	0.0	-77.25	446.79	10.49	-66.76
C=CC(C)C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586083	0	55	0.0	-78.09	434.14	9.98	-68.11
CCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586084	0	54	0.0	-61.20	427.35	11.69	-49.51
CC(C)C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586085	0	54	0.0	-76.01	419.04	9.42	-66.59
O=C([O-])C1CCCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586086	0	55	0.0	-89.04	418.00	12.30	-76.74
O=C([O-])C1CCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586087	0	52	0.0	-84.13	406.81	11.10	-73.03
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)CCCC1	REAL300012586088	0	55	0.0	-81.42	423.07	10.30	-71.12
O=C([O-])CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586089	0	45	0.0	-65.60	365.30	7.27	-58.33
CCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586090	0	51	0.0	-76.70	407.67	9.18	-67.52
CC(C)C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586091	0	54	0.0	-76.01	419.04	9.42	-66.59
CN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586092	0	48	0.0	-76.58	384.04	9.95	-66.63
CC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586093	0	48	0.0	-66.70	386.40	8.06	-58.64
CCC(C)C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586094	0	57	0.0	-76.84	441.03	10.34	-66.50
CN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586095	0	48	0.0	-76.58	384.04	9.95	-66.63
O=C([O-])C1CCCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586096	0	55	0.0	-89.04	418.00	12.30	-76.74
CCCC(C)(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586097	0	57	0.0	-77.46	433.55	10.25	-67.21
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586098	0	54	0.0	-61.98	415.96	11.20	-50.78
O=C([O-])CN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C1CC1	REAL300012586099	0	52	0.0	-59.41	409.66	11.39	-48.02
C=CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586100	0	52	0.0	-60.92	418.66	11.49	-49.43
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586101	0	57	0.0	-61.15	442.00	12.21	-48.94
CC(C)(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586102	0	51	0.0	-64.36	398.66	8.49	-55.87
CC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)(C(=O)[O-])C1CC1	REAL300012586103	0	55	0.0	-79.17	421.69	10.30	-68.87
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586104	0	54	0.0	-61.98	415.96	11.20	-50.78
CCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586105	0	54	0.0	-61.20	427.35	11.69	-49.51
CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586106	0	51	0.0	-76.86	405.85	10.93	-65.93
CC[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586107	0	57	0.0	-77.90	439.30	10.15	-67.75
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)CCCC1	REAL300012586108	0	55	0.0	-81.42	423.07	10.30	-71.12
CCC(C)(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586109	0	54	0.0	-77.16	412.06	9.49	-67.67
C[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586110	0	48	0.0	-66.06	386.23	8.17	-57.89
CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586111	0	51	0.0	-76.86	405.85	10.93	-65.93
C[C@@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586112	0	48	0.0	-65.95	386.12	8.20	-57.75
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)CC1	REAL300012586113	0	49	0.0	-83.38	391.92	9.36	-74.02
O=C([O-])C1COCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586114	0	53	0.0	-85.33	409.17	9.64	-75.69
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C1CC1	REAL300012586115	0	52	0.0	-77.52	417.81	9.74	-67.78
COCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586116	0	55	0.0	-61.61	437.22	10.12	-51.49
O=C([O-])[C@H]1CCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586117	0	52	0.0	-84.65	407.45	10.71	-73.94
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586118	0	55	0.0	-87.78	417.42	12.16	-75.62
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586119	0	51	0.0	-71.95	399.08	10.26	-61.69
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586120	0	52	0.0	-84.14	407.01	11.08	-73.06
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)CCC1	REAL300012586121	0	52	0.0	-82.30	408.76	9.88	-72.42
C=CCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586122	0	52	0.0	-76.30	420.95	9.63	-66.67
CC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586123	0	55	0.0	-83.84	423.90	11.66	-72.18
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C1CC1	REAL300012586124	0	52	0.0	-77.52	417.81	9.74	-67.78
CC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586125	0	51	0.0	-72.13	398.43	10.08	-62.05
CCCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586126	0	57	0.0	-76.96	450.91	10.67	-66.29
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586127	0	55	0.0	-83.80	423.52	11.61	-72.19
COCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586128	0	52	0.0	-78.10	419.64	7.40	-70.70
CC(C(=O)[O-])N(C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C1CC1	REAL300012586129	0	55	0.0	-61.61	424.42	11.44	-50.17
COCC(C)(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586130	0	55	0.0	-81.74	430.30	8.77	-72.97
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586131	0	57	0.0	-61.15	442.00	12.21	-48.94
O=C([O-])CN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C1CC1	REAL300012586132	0	52	0.0	-59.41	409.66	11.39	-48.02
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)CCOC1	REAL300012586133	0	53	0.0	-77.00	413.71	7.68	-69.32
C=CCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586134	0	55	0.0	-76.80	442.23	10.45	-66.35
O=C([O-])C(CF)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586135	0	48	0.0	-64.19	389.70	8.10	-56.09
CC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586136	0	51	0.0	-72.13	398.43	10.08	-62.05
CCC(CC)(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586137	0	57	0.0	-78.64	428.44	10.38	-68.26
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586138	0	57	0.0	-60.41	436.57	12.26	-48.15
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586139	0	55	0.0	-75.95	438.73	10.77	-65.18
COCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586140	0	55	0.0	-76.91	441.59	8.18	-68.73
CCCN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(C)C(=O)[O-]	REAL300012586141	0	57	0.0	-56.30	435.99	12.52	-43.78
O=C([O-])C(CCF)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586142	0	51	0.0	-75.17	414.26	9.32	-65.85
CC(CCF)(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586143	0	54	0.0	-74.02	418.64	9.63	-64.39
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586144	0	51	0.0	-72.38	398.02	10.20	-62.18
O=C([O-])C12CC(C1)CN2C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586145	0	53	0.0	-90.05	413.60	11.70	-78.35
CC(C)(C)[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586146	0	57	0.0	-76.89	437.24	10.31	-66.58
C=C(C)CC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586147	0	55	0.0	-77.71	439.49	10.42	-67.29
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586148	0	52	0.0	-81.27	412.84	11.19	-70.08
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C1	REAL300012586149	0	53	0.0	-84.19	421.12	11.16	-73.03
CC(C)C[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586150	0	57	0.0	-77.25	446.79	10.49	-66.76
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586151	0	55	0.0	-75.95	438.73	10.77	-65.18
CSCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586152	0	52	0.0	-74.29	431.37	9.53	-64.76
COC[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586153	0	52	0.0	-78.18	419.92	7.43	-70.75
CC[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586154	0	51	0.0	-76.33	407.23	9.20	-67.13
O=C([O-])[C@H]1CCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586155	0	52	0.0	-84.65	407.45	10.71	-73.94
CCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586156	0	54	0.0	-77.04	429.41	9.88	-67.16
CC(C)[C@@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586157	0	54	0.0	-77.25	420.17	9.52	-67.73
CCN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(C)(C)C(=O)[O-]	REAL300012586158	0	57	0.0	-81.18	432.64	11.90	-69.28
CCCN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(C)C(=O)[O-]	REAL300012586159	0	57	0.0	-56.30	435.99	12.52	-43.78
CN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(C)(C)C(=O)[O-]	REAL300012586160	0	54	0.0	-81.11	413.06	11.03	-70.08
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586161	0	52	0.0	-84.14	407.01	11.08	-73.06
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586162	0	53	0.0	-86.49	418.95	7.39	-79.10
CCC[C@@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586163	0	54	0.0	-76.28	429.32	10.01	-66.27
C=CCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586164	0	55	0.0	-76.80	442.23	10.45	-66.35
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586165	0	55	0.0	-83.63	423.51	11.63	-72.00
CC(C)[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586166	0	54	0.0	-75.60	422.11	9.76	-65.84
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586167	0	51	0.0	-72.38	398.02	10.20	-62.18
CCC[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586168	0	54	0.0	-76.88	429.56	9.96	-66.92
CCN(C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(C)C(=O)[O-]	REAL300012586169	0	54	0.0	-72.74	415.62	10.96	-61.78
CC(CN(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586170	0	54	0.0	-77.22	419.15	10.62	-66.60
CC[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586171	0	57	0.0	-77.90	439.30	10.15	-67.75
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586172	0	54	0.0	-73.18	418.48	11.18	-62.00
COCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586173	0	55	0.0	-76.91	441.59	8.18	-68.73
CC1(C(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C(=O)[O-])CC1	REAL300012586174	0	55	0.0	-77.64	436.68	10.35	-67.29
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586175	0	53	0.0	-91.06	418.93	7.55	-83.51
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C1CCC1	REAL300012586176	0	55	0.0	-76.89	427.62	10.17	-66.72
O=C([O-])C(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C1CCC1	REAL300012586177	0	55	0.0	-76.89	427.62	10.17	-66.72
CC1CCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C1C(=O)[O-]	REAL300012586178	0	55	0.0	-85.52	427.72	11.39	-74.13
C=CCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586179	0	52	0.0	-76.30	420.95	9.63	-66.67
O=C([O-])C1(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)COC1	REAL300012586180	0	50	0.0	-76.10	399.73	6.90	-69.20
CC(C)C(C)(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586181	0	57	0.0	-78.10	426.97	10.11	-67.99
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586182	0	53	0.0	-88.65	413.26	12.24	-76.41
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586183	0	57	0.0	-73.40	432.63	11.93	-61.47
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586184	0	52	0.0	-81.27	412.84	11.19	-70.08
CO[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586185	0	55	0.0	-77.98	438.06	8.43	-69.55
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586186	0	55	0.0	-84.86	430.99	10.95	-73.91
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586187	0	57	0.0	-72.77	440.88	12.03	-60.74
CCOCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586188	0	55	0.0	-78.49	441.49	8.38	-70.11
N#CCCC(NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300012586189	0	52	0.0	-77.34	428.53	9.68	-67.66
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300012586190	0	51	0.0	-71.95	399.08	10.26	-61.69
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1	REAL300012586369	0	56	0.0	-58.35	425.68	7.80	-50.55
CC1=CC=CC2=NC(CNC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])=CN21	REAL300012587427	0	56	0.0	-74.47	438.16	8.38	-66.09
CC(C)C[C@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587708	0	64	0.0	-69.37	439.23	7.97	-61.40
CC(C)C[C@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587708	1	64	0.0	-65.15	439.45	7.96	-57.19
C=CCOCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587709	0	63	0.0	-69.44	448.30	6.44	-63.00
C=CCOCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587709	1	63	0.0	-72.43	444.91	7.25	-65.18
C=CC(C)C(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587710	0	62	0.0	-63.82	431.37	7.78	-56.04
C=CC(C)C(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587710	1	62	0.0	-65.11	427.25	7.52	-57.59
CC1CCN(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C(C(=O)[O-])C1	REAL300012587711	0	65	0.0	-77.69	425.50	9.89	-67.80
CC1CCN(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C(C(=O)[O-])C1	REAL300012587711	1	65	0.0	-78.36	425.51	9.90	-68.46
CCCN(CC(=O)[O-])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587712	0	61	0.0	-52.68	420.78	9.17	-43.51
CCCN(CC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587712	1	61	0.0	-52.59	418.24	8.96	-43.63
CC(C(=O)[O-])N(C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C1CCC1	REAL300012587713	0	65	0.0	-54.11	429.99	10.39	-43.72
CC(C(=O)[O-])N(C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C1CCC1	REAL300012587713	1	65	0.0	-54.21	433.92	9.55	-44.66
CCCN(C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(CC)C(=O)[O-]	REAL300012587714	0	67	0.0	-67.95	447.72	10.19	-57.76
CCCN(C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(CC)C(=O)[O-]	REAL300012587714	1	67	0.0	-54.29	442.70	10.03	-44.26
CC(C)C(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587715	0	61	0.0	-66.02	418.39	7.19	-58.83
CC(C)C(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587715	1	61	0.0	-68.84	414.38	6.96	-61.88
CC1(C)C[N@@H+](C2(CNC(=O)N3CCCCC3C(=O)[O-])CCCCC2)CCO1	REAL300012587716	0	62	0.0	-77.82	411.69	9.81	-68.01
CC1(C)C[N@H+](C2(CNC(=O)N3CCCCC3C(=O)[O-])CCCCC2)CCO1	REAL300012587716	1	62	0.0	-79.14	411.43	9.80	-69.34
CC1(C)C[N@@H+](C2(CNC(=O)N3CCSCC3C(=O)[O-])CCCCC2)CCO1	REAL300012587717	0	60	0.0	-77.82	411.49	9.78	-68.04
CC1(C)C[N@H+](C2(CNC(=O)N3CCSCC3C(=O)[O-])CCCCC2)CCO1	REAL300012587717	1	60	0.0	-76.32	410.89	9.53	-66.79
CC1(C)C[N@@H+](C2(CNC(=O)NC3(C(=O)[O-])CCCCC3)CCCCC2)CCO1	REAL300012587718	0	65	0.0	-67.65	431.21	8.85	-58.80
CC1(C)C[N@H+](C2(CNC(=O)NC3(C(=O)[O-])CCCCC3)CCCCC2)CCO1	REAL300012587718	1	65	0.0	-73.20	431.22	8.85	-64.35
CC1(C)C[N@@H+](C2(CNC(=O)N3CCCC3C(=O)[O-])CCCCC2)CCO1	REAL300012587719	0	59	0.0	-75.10	400.46	8.54	-66.56
CC1(C)C[N@H+](C2(CNC(=O)N3CCCC3C(=O)[O-])CCCCC2)CCO1	REAL300012587719	1	59	0.0	-72.74	400.87	8.22	-64.52
CC1(C)C[N@@H+](C2(CNC(=O)NC3(C(=O)[O-])CCCC3)CCCCC2)CCO1	REAL300012587720	0	62	0.0	-74.21	413.34	8.50	-65.71
CC1(C)C[N@H+](C2(CNC(=O)NC3(C(=O)[O-])CCCC3)CCCCC2)CCO1	REAL300012587720	1	62	0.0	-69.39	416.36	7.75	-61.64
CC1(C)C[N@@H+](C2(CNC(=O)NCC(=O)[O-])CCCCC2)CCO1	REAL300012587721	0	52	0.0	-56.38	359.08	4.80	-51.58
CC1(C)C[N@H+](C2(CNC(=O)NCC(=O)[O-])CCCCC2)CCO1	REAL300012587721	1	52	0.0	-56.94	358.73	4.77	-52.17
CCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587722	0	58	0.0	-71.56	397.46	7.48	-64.08
CCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587722	1	58	0.0	-67.94	400.85	6.65	-61.29
CC(C)C(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587723	0	61	0.0	-66.02	418.39	7.19	-58.83
CC(C)C(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587723	1	61	0.0	-68.84	414.38	6.96	-61.88
CN(CC(=O)[O-])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587724	0	55	0.0	-70.37	373.85	8.28	-62.09
CN(CC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587724	1	55	0.0	-68.17	377.82	7.47	-60.70
CC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587725	0	55	0.0	-55.84	379.88	5.62	-50.22
CC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587725	1	55	0.0	-55.89	379.85	5.62	-50.27
CCC(C)C(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587726	0	64	0.0	-70.37	432.59	7.57	-62.80
CCC(C)C(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587726	1	64	0.0	-69.12	431.64	7.67	-61.45
CN(CC(=O)[O-])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587727	0	55	0.0	-70.37	373.85	8.28	-62.09
CN(CC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587727	1	55	0.0	-68.17	377.82	7.47	-60.70
CC1(C)C[N@@H+](C2(CNC(=O)N3CCCCC3C(=O)[O-])CCCCC2)CCO1	REAL300012587728	0	62	0.0	-77.82	411.69	9.81	-68.01
CC1(C)C[N@H+](C2(CNC(=O)N3CCCCC3C(=O)[O-])CCCCC2)CCO1	REAL300012587728	1	62	0.0	-79.14	411.43	9.80	-69.34
CCCC(C)(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587729	0	64	0.0	-70.07	423.93	8.59	-61.48
CCCC(C)(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587729	1	64	0.0	-68.44	427.32	7.77	-60.67
CC(C)N(CC(=O)[O-])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587730	0	61	0.0	-53.07	411.18	8.83	-44.24
CC(C)N(CC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587730	1	61	0.0	-47.52	409.53	8.74	-38.78
CC1(C)C[N@@H+](C2(CNC(=O)N(CC(=O)[O-])C3CC3)CCCCC2)CCO1	REAL300012587731	0	59	0.0	-58.03	398.78	9.64	-48.39
CC1(C)C[N@H+](C2(CNC(=O)N(CC(=O)[O-])C3CC3)CCCCC2)CCO1	REAL300012587731	1	59	0.0	-66.53	404.21	8.85	-57.68
C=CCN(CC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587732	0	59	0.0	-52.25	410.83	8.79	-43.46
C=CCN(CC(=O)[O-])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587732	1	59	0.0	-52.34	412.09	8.97	-43.37
CC(C)CN(CC(=O)[O-])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587733	0	64	0.0	-52.58	435.44	9.69	-42.89
CC(C)CN(CC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587733	1	64	0.0	-45.44	435.44	9.51	-35.93
CC(C)(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587734	0	58	0.0	-55.58	392.45	6.02	-49.56
CC(C)(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587734	1	58	0.0	-55.62	392.25	6.01	-49.61
CC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)(C(=O)[O-])C1CC1	REAL300012587735	0	62	0.0	-70.25	414.92	7.74	-62.51
CC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)(C(=O)[O-])C1CC1	REAL300012587735	1	62	0.0	-70.70	415.33	7.76	-62.94
CC1(C)C[N@@H+](C2(CNC(=O)NC3(C(=O)[O-])CCCCC3)CCCCC2)CCO1	REAL300012587736	0	65	0.0	-67.65	431.21	8.85	-58.80
CC1(C)C[N@H+](C2(CNC(=O)NC3(C(=O)[O-])CCCCC3)CCCCC2)CCO1	REAL300012587736	1	65	0.0	-73.20	431.22	8.85	-64.35
CC(C)N(CC(=O)[O-])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587737	0	61	0.0	-53.07	411.18	8.83	-44.24
CC(C)N(CC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587737	1	61	0.0	-47.52	409.53	8.74	-38.78
CCCN(CC(=O)[O-])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587738	0	61	0.0	-52.68	420.78	9.17	-43.51
CCCN(CC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587738	1	61	0.0	-52.59	418.24	8.96	-43.63
CCN(CC(=O)[O-])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587739	0	58	0.0	-65.43	399.28	8.41	-57.02
CCN(CC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587739	1	58	0.0	-63.67	399.62	8.46	-55.21
CC[C@H](C)[C@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587740	0	64	0.0	-70.37	432.59	7.57	-62.80
CC[C@H](C)[C@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587740	1	64	0.0	-65.90	432.75	7.59	-58.31
CC1(C)C[N@@H+](C2(CNC(=O)NC3(C(=O)[O-])CCCC3)CCCCC2)CCO1	REAL300012587741	0	62	0.0	-74.21	413.34	8.50	-65.71
CC1(C)C[N@H+](C2(CNC(=O)NC3(C(=O)[O-])CCCC3)CCCCC2)CCO1	REAL300012587741	1	62	0.0	-69.39	416.36	7.75	-61.64
CCC(C)(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587742	0	61	0.0	-72.04	402.43	7.83	-64.21
CCC(C)(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587742	1	61	0.0	-68.22	405.82	7.02	-61.20
C[C@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587743	0	55	0.0	-61.26	376.46	6.45	-54.81
C[C@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587743	1	55	0.0	-56.28	379.51	5.64	-50.64
CCN(CC(=O)[O-])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587744	0	58	0.0	-65.43	399.28	8.41	-57.02
CCN(CC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587744	1	58	0.0	-63.67	399.62	8.46	-55.21
C[C@@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587745	0	55	0.0	-56.91	379.52	5.59	-51.32
C[C@@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587745	1	55	0.0	-56.47	380.17	5.58	-50.89
CC1(C)C[N@@H+](C2(CNC(=O)NC3(C(=O)[O-])CC3)CCCCC2)CCO1	REAL300012587746	0	56	0.0	-70.57	386.03	6.84	-63.73
CC1(C)C[N@H+](C2(CNC(=O)NC3(C(=O)[O-])CC3)CCCCC2)CCO1	REAL300012587746	1	56	0.0	-72.25	385.67	6.83	-65.42
CC1(C)C[N@@H+](C2(CNC(=O)N3CCOCC3C(=O)[O-])CCCCC2)CCO1	REAL300012587747	0	60	0.0	-73.48	402.95	7.14	-66.34
CC1(C)C[N@H+](C2(CNC(=O)N3CCOCC3C(=O)[O-])CCCCC2)CCO1	REAL300012587747	1	60	0.0	-74.96	402.09	7.14	-67.82
CC1(C)C[N@@H+](C2(CNC(=O)NC(C(=O)[O-])C3CC3)CCCCC2)CCO1	REAL300012587748	0	59	0.0	-65.41	411.24	7.18	-58.23
CC1(C)C[N@H+](C2(CNC(=O)NC(C(=O)[O-])C3CC3)CCCCC2)CCO1	REAL300012587748	1	59	0.0	-65.80	405.58	7.10	-58.70
COCCN(CC(=O)[O-])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587749	0	62	0.0	-52.91	430.66	7.59	-45.32
COCCN(CC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587749	1	62	0.0	-52.34	431.00	7.63	-44.71
CC1(C)C[N@@H+](C2(CNC(=O)N3CCC[C@@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587750	0	59	0.0	-77.70	397.88	8.97	-68.73
CC1(C)C[N@H+](C2(CNC(=O)N3CCC[C@@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587750	1	59	0.0	-72.05	401.21	8.24	-63.81
CC1(C)C[N@@H+](C2(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587751	0	62	0.0	-77.32	411.17	9.57	-67.75
CC1(C)C[N@H+](C2(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587751	1	62	0.0	-81.22	408.15	10.46	-70.76
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587752	0	58	0.0	-66.88	388.24	8.38	-58.50
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587752	1	58	0.0	-60.47	392.21	7.60	-52.87
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CC1(C)C[N@@H+](C2(CNC(=O)NC3(C(=O)[O-])CCC3)CCCCC2)CCO1	REAL300012587754	0	59	0.0	-70.27	402.82	7.35	-62.92
CC1(C)C[N@H+](C2(CNC(=O)NC3(C(=O)[O-])CCC3)CCCCC2)CCO1	REAL300012587754	1	59	0.0	-70.97	402.48	7.33	-63.64
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CC1(C(=O)[O-])CCCN1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587756	0	62	0.0	-71.89	417.22	9.06	-62.83
CC1(C(=O)[O-])CCCN1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587756	1	62	0.0	-70.09	417.55	9.10	-60.99
CC1(C)C[N@@H+](C2(CNC(=O)N3CCCCCC3C(=O)[O-])CCCCC2)CCO1	REAL300012587757	0	65	0.0	-79.07	424.72	10.03	-69.04
CC1(C)C[N@H+](C2(CNC(=O)N3CCCCCC3C(=O)[O-])CCCCC2)CCO1	REAL300012587757	1	65	0.0	-78.71	422.58	11.35	-67.36
CC1(C)C[N@@H+](C2(CNC(=O)NC(C(=O)[O-])C3CC3)CCCCC2)CCO1	REAL300012587758	0	59	0.0	-65.41	411.24	7.18	-58.23
CC1(C)C[N@H+](C2(CNC(=O)NC(C(=O)[O-])C3CC3)CCCCC2)CCO1	REAL300012587758	1	59	0.0	-65.80	405.58	7.10	-58.70
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C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587761	0	62	0.0	-79.15	414.20	9.91	-69.24
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587761	1	62	0.0	-71.23	417.55	9.09	-62.14
CC1(C)C[N@@H+](C2(CNC(=O)N(CC(=O)[O-])C3CCCC3)CCCCC2)CCO1	REAL300012587762	0	65	0.0	-50.00	437.26	10.08	-39.92
CC1(C)C[N@H+](C2(CNC(=O)N(CC(=O)[O-])C3CCCC3)CCCCC2)CCO1	REAL300012587762	1	65	0.0	-51.80	435.62	9.99	-41.81
COCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587763	0	59	0.0	-73.35	410.15	5.70	-67.65
COCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587763	1	59	0.0	-69.60	413.54	4.89	-64.71
CCCCCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587764	0	67	0.0	-70.03	462.55	9.85	-60.18
CCCCCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587764	1	67	0.0	-68.50	465.95	9.03	-59.47
CN(C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C1(C(=O)[O-])CCCC1	REAL300012587765	0	65	0.0	-76.92	426.80	9.45	-67.47
CN(C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C1(C(=O)[O-])CCCC1	REAL300012587765	1	65	0.0	-75.88	427.52	9.34	-66.54
CC(C(=O)[O-])N(C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C1CC1	REAL300012587766	0	62	0.0	-50.38	417.76	9.11	-41.27
CC(C(=O)[O-])N(C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C1CC1	REAL300012587766	1	62	0.0	-53.38	415.83	9.96	-43.42
CCC(C(=O)[O-])N(C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C1CC1	REAL300012587767	0	65	0.0	-54.52	429.22	10.79	-43.73
CCC(C(=O)[O-])N(C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C1CC1	REAL300012587767	1	65	0.0	-54.68	433.68	10.03	-44.65
COCC(C)(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587768	0	62	0.0	-74.38	420.67	7.12	-67.26
COCC(C)(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587768	1	62	0.0	-72.81	424.07	6.30	-66.51
CCOCC(C(=O)[O-])N(C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587769	0	65	0.0	-62.88	443.73	7.91	-54.97
CCOCC(C(=O)[O-])N(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587769	1	65	0.0	-61.62	444.07	7.95	-53.67
CC(C)CN(CC(=O)[O-])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587770	0	64	0.0	-52.58	435.44	9.69	-42.89
CC(C)CN(CC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587770	1	64	0.0	-45.44	435.44	9.51	-35.93
CC1(C)C[N@@H+](C2(CNC(=O)N(CC(=O)[O-])C3CC3)CCCCC2)CCO1	REAL300012587771	0	59	0.0	-58.03	398.78	9.64	-48.39
CC1(C)C[N@H+](C2(CNC(=O)N(CC(=O)[O-])C3CC3)CCCCC2)CCO1	REAL300012587771	1	59	0.0	-66.53	404.21	8.85	-57.68
CC1(C)C[N@@H+](C2(CNC(=O)NC3(C(=O)[O-])CCOC3)CCCCC2)CCO1	REAL300012587772	0	60	0.0	-68.23	407.29	5.11	-63.12
CC1(C)C[N@H+](C2(CNC(=O)NC3(C(=O)[O-])CCOC3)CCCCC2)CCO1	REAL300012587772	1	60	0.0	-65.71	406.96	5.18	-60.53
CC1(C)C[N@@H+](C2(CNC(=O)NC3(C(=O)[O-])CCOCC3)CCCCC2)CCO1	REAL300012587773	0	63	0.0	-73.35	419.30	7.09	-66.26
CC1(C)C[N@H+](C2(CNC(=O)NC3(C(=O)[O-])CCOCC3)CCCCC2)CCO1	REAL300012587773	1	63	0.0	-68.86	422.29	6.35	-62.51
C=CCCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587774	0	62	0.0	-64.10	435.77	8.03	-56.07
C=CCCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587774	1	62	0.0	-70.45	432.60	8.78	-61.67
CC1(C)C[N@@H+](C2(CNC(=O)NC(CF)C(=O)[O-])CCCCC2)CCO1	REAL300012587775	0	55	0.0	-54.49	383.31	5.66	-48.83
CC1(C)C[N@H+](C2(CNC(=O)NC(CF)C(=O)[O-])CCCCC2)CCO1	REAL300012587775	1	55	0.0	-58.64	379.92	6.48	-52.16
CC(C(=O)[O-])N(C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587776	0	58	0.0	-65.28	391.31	7.60	-57.68
CC(C(=O)[O-])N(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587776	1	58	0.0	-60.37	392.72	7.70	-52.67
CCC(CC)(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587777	0	64	0.0	-70.82	422.16	7.87	-62.95
CCC(CC)(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587777	1	64	0.0	-70.48	422.03	7.90	-62.58
CCC(C)N(CC(=O)[O-])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587778	0	64	0.0	-51.88	430.00	9.74	-42.14
CCC(C)N(CC(=O)[O-])C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587778	1	64	0.0	-45.26	430.23	9.78	-35.48
CCC(COC)(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587779	0	65	0.0	-75.57	440.41	7.17	-68.40
CCC(COC)(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587779	1	65	0.0	-69.36	440.51	7.22	-62.14
CC1(C)C[N@@H+](C2(CNC(=O)NC(CC3CC3)C(=O)[O-])CCCCC2)CCO1	REAL300012587780	0	62	0.0	-68.62	433.58	8.14	-60.48
CC1(C)C[N@H+](C2(CNC(=O)NC(CC3CC3)C(=O)[O-])CCCCC2)CCO1	REAL300012587780	1	62	0.0	-68.23	433.59	8.14	-60.09
COCCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587781	0	62	0.0	-65.88	435.03	5.68	-60.20
COCCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587781	1	62	0.0	-64.71	435.14	5.77	-58.94
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587782	0	67	0.0	-66.35	449.59	10.08	-56.27
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587782	1	67	0.0	-64.17	451.79	10.08	-54.09
CC1(C)C[N@@H+](C2(CNC(=O)NC(CC(F)F)C(=O)[O-])CCCCC2)CCO1	REAL300012587783	0	58	0.0	-63.56	412.32	7.16	-56.40
CC1(C)C[N@H+](C2(CNC(=O)NC(CC(F)F)C(=O)[O-])CCCCC2)CCO1	REAL300012587783	1	58	0.0	-60.10	411.72	7.21	-52.89
CCCN(C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(C)C(=O)[O-]	REAL300012587784	0	64	0.0	-74.28	433.99	10.00	-64.28
CCCN(C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(C)C(=O)[O-]	REAL300012587784	1	64	0.0	-32.09	421.05	9.91	-22.18
CC1(C)C[N@@H+](C2(CNC(=O)NC(CCF)C(=O)[O-])CCCCC2)CCO1	REAL300012587785	0	58	0.0	-68.21	408.29	6.79	-61.42
CC1(C)C[N@H+](C2(CNC(=O)NC(CCF)C(=O)[O-])CCCCC2)CCO1	REAL300012587785	1	58	0.0	-64.08	407.70	6.82	-57.26
CC(CCF)(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587786	0	61	0.0	-66.85	409.02	7.97	-58.88
CC(CCF)(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587786	1	61	0.0	-60.68	412.41	7.16	-53.52
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587787	0	58	0.0	-67.92	388.12	8.47	-59.45
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587787	1	58	0.0	-61.23	391.65	7.64	-53.59
CC1(C)C[N@@H+](C2(CNC(=O)N3CC4CC3(C(=O)[O-])C4)CCCCC2)CCO1	REAL300012587788	0	60	0.0	-80.18	407.97	9.16	-71.02
CC1(C)C[N@H+](C2(CNC(=O)N3CC4CC3(C(=O)[O-])C4)CCCCC2)CCO1	REAL300012587788	1	60	0.0	-81.37	407.71	9.12	-72.25
CC(C)(C)[C@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587789	0	64	0.0	-63.50	430.91	7.76	-55.74
CC(C)(C)[C@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587789	1	64	0.0	-66.22	432.30	7.74	-58.48
C=C(C)CC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587790	0	62	0.0	-71.73	430.95	8.68	-63.05
C=C(C)CC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587790	1	62	0.0	-64.25	433.01	8.02	-56.23
CC1(C)C[N@@H+](C2(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)CCCCC2)CCO1	REAL300012587791	0	63	0.0	-82.38	422.32	9.99	-72.39
CC1(C)C[N@H+](C2(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)CCCCC2)CCO1	REAL300012587791	1	63	0.0	-86.83	418.57	10.81	-76.02
CC1(C)C[N@@H+](C2(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587792	0	59	0.0	-68.91	406.76	8.62	-60.29
CC1(C)C[N@H+](C2(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587792	1	59	0.0	-74.24	406.59	8.61	-65.63
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1	REAL300012587793	0	60	0.0	-72.76	416.00	8.58	-64.18
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1	REAL300012587793	1	60	0.0	-79.77	411.27	9.44	-70.33
CC(C)C[C@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587794	0	64	0.0	-69.37	439.23	7.97	-61.40
CC(C)C[C@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587794	1	64	0.0	-65.15	439.45	7.96	-57.19
CC1(C)C[N@@H+](C2(CNC(=O)NC(CC3CC3)C(=O)[O-])CCCCC2)CCO1	REAL300012587795	0	62	0.0	-68.62	433.58	8.14	-60.48
CC1(C)C[N@H+](C2(CNC(=O)NC(CC3CC3)C(=O)[O-])CCCCC2)CCO1	REAL300012587795	1	62	0.0	-68.23	433.59	8.14	-60.09
CSCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587796	0	59	0.0	-68.52	421.09	7.91	-60.61
CSCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587796	1	59	0.0	-64.32	424.48	7.09	-57.23
COC[C@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587797	0	59	0.0	-70.09	412.72	4.84	-65.25
COC[C@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587797	1	59	0.0	-65.94	412.96	4.87	-61.07
CC[C@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587798	0	58	0.0	-69.46	401.35	6.62	-62.84
CC[C@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587798	1	58	0.0	-65.76	401.58	6.64	-59.12
CCC(C)CC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587799	0	67	0.0	-69.35	457.45	8.58	-60.77
CCC(C)CC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587799	1	67	0.0	-68.37	457.78	8.61	-59.76
C=CCCCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587800	0	65	0.0	-68.71	457.26	8.81	-59.90
C=CCCCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587800	1	65	0.0	-70.76	454.11	9.57	-61.19
CC1(C)C[N@@H+](C2(CNC(=O)N3CCSCC3C(=O)[O-])CCCCC2)CCO1	REAL300012587801	0	60	0.0	-77.82	411.49	9.78	-68.04
CC1(C)C[N@H+](C2(CNC(=O)N3CCSCC3C(=O)[O-])CCCCC2)CCO1	REAL300012587801	1	60	0.0	-76.32	410.89	9.53	-66.79
CC1(C)C[N@@H+](C2(CNC(=O)N3CCC[C@@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587802	0	59	0.0	-77.70	397.88	8.97	-68.73
CC1(C)C[N@H+](C2(CNC(=O)N3CCC[C@@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587802	1	59	0.0	-72.05	401.21	8.24	-63.81
CCCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587803	0	61	0.0	-65.08	422.61	7.44	-57.64
CCCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587803	1	61	0.0	-65.11	423.19	7.40	-57.71
CC(C)[C@@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587804	0	61	0.0	-68.97	418.75	7.22	-61.75
CC(C)[C@@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587804	1	61	0.0	-69.27	413.80	6.97	-62.30
CC1(C)C[N@@H+](C2(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])CCCCC2)CCO1	REAL300012587805	0	63	0.0	-80.77	422.55	10.12	-70.65
CC1(C)C[N@H+](C2(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])CCCCC2)CCO1	REAL300012587805	1	63	0.0	-78.82	422.48	10.10	-68.72
CCN(C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(C)(C)C(=O)[O-]	REAL300012587806	0	64	0.0	-73.47	421.72	10.10	-63.37
CCN(C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(C)(C)C(=O)[O-]	REAL300012587806	1	64	0.0	-72.69	424.16	9.34	-63.35
CCCN(C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(C)C(=O)[O-]	REAL300012587807	0	64	0.0	-74.28	433.99	10.00	-64.28
CCCN(C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(C)C(=O)[O-]	REAL300012587807	1	64	0.0	-32.09	421.05	9.91	-22.18
CN(C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(C)(C)C(=O)[O-]	REAL300012587808	0	61	0.0	-69.14	406.49	8.52	-60.62
CN(C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(C)(C)C(=O)[O-]	REAL300012587808	1	61	0.0	-72.76	406.83	8.52	-64.24
CC1(C)C[N@@H+](C2(CNC(=O)N3CCC[C@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587809	0	59	0.0	-72.35	400.35	8.55	-63.80
CC1(C)C[N@H+](C2(CNC(=O)N3CCC[C@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587809	1	59	0.0	-76.26	400.12	8.53	-67.73
CC1(C)C[N@@H+](C2(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587810	0	60	0.0	-78.69	412.46	4.87	-73.82
CC1(C)C[N@H+](C2(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587810	1	60	0.0	-74.69	412.14	4.81	-69.88
CCC[C@@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587811	0	61	0.0	-65.08	422.61	7.44	-57.64
CCC[C@@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587811	1	61	0.0	-68.46	422.95	7.47	-60.99
C=CCCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587812	0	62	0.0	-64.10	435.77	8.03	-56.07
C=CCCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587812	1	62	0.0	-70.45	432.60	8.78	-61.67
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587813	0	62	0.0	-71.92	417.18	9.08	-62.84
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587813	1	62	0.0	-75.93	417.54	9.10	-66.83
CC(C)[C@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587814	0	61	0.0	-72.57	410.98	7.78	-64.79
CC(C)[C@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587814	1	61	0.0	-65.36	414.20	6.95	-58.41
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587815	0	58	0.0	-67.92	388.12	8.47	-59.45
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587815	1	58	0.0	-61.23	391.65	7.64	-53.59
CCC[C@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587816	0	61	0.0	-72.16	419.79	8.23	-63.93
CCC[C@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587816	1	61	0.0	-64.89	422.25	7.43	-57.46
CCN(C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(C)C(=O)[O-]	REAL300012587817	0	61	0.0	-66.54	407.71	9.43	-57.11
CCN(C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(C)C(=O)[O-]	REAL300012587817	1	61	0.0	-71.12	411.67	9.13	-61.99
CC1(C)C[N@@H+](C2(CNC(=O)N(CC(=O)[O-])C3CCCC3)CCCCC2)CCO1	REAL300012587818	0	65	0.0	-50.00	437.26	10.08	-39.92
CC1(C)C[N@H+](C2(CNC(=O)N(CC(=O)[O-])C3CCCC3)CCCCC2)CCO1	REAL300012587818	1	65	0.0	-51.80	435.62	9.99	-41.81
CC(CN(C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587819	0	61	0.0	-70.48	411.70	8.06	-62.42
CC(CN(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587819	1	61	0.0	-70.20	412.65	8.13	-62.07
CC[C@H](C)[C@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587820	0	64	0.0	-70.37	432.59	7.57	-62.80
CC[C@H](C)[C@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587820	1	64	0.0	-65.90	432.75	7.59	-58.31
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587821	0	61	0.0	-68.48	408.53	9.62	-58.86
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587821	1	61	0.0	-62.17	412.13	8.63	-53.54
CC1(C)C[N@@H+](C2(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)CCCCC2)CCO1	REAL300012587822	0	63	0.0	-73.98	433.37	4.54	-69.44
CC1(C)C[N@H+](C2(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)CCCCC2)CCO1	REAL300012587822	1	63	0.0	-71.20	434.48	4.64	-66.56
CC1CCC(NC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)(C(=O)[O-])C1	REAL300012587823	0	65	0.0	-69.81	437.41	8.36	-61.45
CC1CCC(NC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)(C(=O)[O-])C1	REAL300012587823	1	65	0.0	-74.15	433.56	9.11	-65.04
COCCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587824	0	62	0.0	-65.88	435.03	5.68	-60.20
COCCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587824	1	62	0.0	-64.71	435.14	5.77	-58.94
CC1(C)CC(NC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)(C(=O)[O-])C1	REAL300012587825	0	65	0.0	-76.04	435.84	9.88	-66.16
CC1(C)CC(NC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)(C(=O)[O-])C1	REAL300012587825	1	65	0.0	-69.98	438.90	9.05	-60.93
CC1(C(NC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C(=O)[O-])CC1	REAL300012587826	0	62	0.0	-72.07	419.74	8.80	-63.27
CC1(C(NC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C(=O)[O-])CC1	REAL300012587826	1	62	0.0	-67.57	427.58	7.62	-59.95
CC1(C)C[N@@H+](C2(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587827	0	60	0.0	-75.88	411.14	5.02	-70.86
CC1(C)C[N@H+](C2(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587827	1	60	0.0	-77.77	410.80	5.03	-72.74
CC1(C)C[N@@H+](C2(CNC(=O)NC(C(=O)[O-])C3CCOC3)CCCCC2)CCO1	REAL300012587828	0	63	0.0	-68.38	428.78	5.60	-62.78
CC1(C)C[N@H+](C2(CNC(=O)NC(C(=O)[O-])C3CCOC3)CCCCC2)CCO1	REAL300012587828	1	63	0.0	-71.19	428.24	5.62	-65.57
CC1(C)C[N@@H+](C2(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])CCCCC2)CCO1	REAL300012587829	0	63	0.0	-77.46	422.51	9.69	-67.77
CC1(C)C[N@H+](C2(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])CCCCC2)CCO1	REAL300012587829	1	63	0.0	-83.95	419.15	10.53	-73.42
CC1(C)C[N@@H+](C2(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)CCCCC2)CCO1	REAL300012587830	0	61	0.0	-80.42	411.71	8.16	-72.26
CC1(C)C[N@H+](C2(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)CCCCC2)CCO1	REAL300012587830	1	61	0.0	-76.25	414.03	7.46	-68.79
CC1CCC(C(=O)[O-])N(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1	REAL300012587831	0	65	0.0	-78.56	432.28	10.38	-68.18
CC1CCC(C(=O)[O-])N(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1	REAL300012587831	1	65	0.0	-77.37	432.21	10.11	-67.26
CC1(C)C[N@@H+](C2(CNC(=O)NC(C(=O)[O-])C3CCC3)CCCCC2)CCO1	REAL300012587832	0	62	0.0	-68.35	426.04	7.63	-60.72
CC1(C)C[N@H+](C2(CNC(=O)NC(C(=O)[O-])C3CCC3)CCCCC2)CCO1	REAL300012587832	1	62	0.0	-73.30	425.05	8.54	-64.76
CC1(C)C[N@@H+](C2(CNC(=O)NC(C(=O)[O-])C3CCC3)CCCCC2)CCO1	REAL300012587833	0	62	0.0	-68.35	426.04	7.63	-60.72
CC1(C)C[N@H+](C2(CNC(=O)NC(C(=O)[O-])C3CCC3)CCCCC2)CCO1	REAL300012587833	1	62	0.0	-73.30	425.05	8.54	-64.76
CC1CCN(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1C(=O)[O-]	REAL300012587834	0	62	0.0	-70.52	415.13	9.02	-61.50
CC1CCN(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1C(=O)[O-]	REAL300012587834	1	62	0.0	-77.70	418.08	8.61	-69.09
C=CCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587835	0	59	0.0	-63.78	414.96	7.10	-56.68
C=CCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587835	1	59	0.0	-70.98	410.77	7.92	-63.06
CC1(C)C[N@@H+](C2(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587836	0	63	0.0	-46.01	423.67	9.57	-36.44
CC1(C)C[N@H+](C2(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587836	1	63	0.0	-37.29	417.43	9.40	-27.89
COC1CC(NC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)(C(=O)[O-])C1	REAL300012587837	0	63	0.0	-66.77	433.95	6.21	-60.56
COC1CC(NC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)(C(=O)[O-])C1	REAL300012587837	1	63	0.0	-64.94	434.56	6.22	-58.72
CO[C@H]1C[C@](NC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)(C(=O)[O-])C1	REAL300012587838	0	63	0.0	-71.03	430.89	7.05	-63.98
CO[C@H]1C[C@](NC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)(C(=O)[O-])C1	REAL300012587838	1	63	0.0	-64.91	434.57	6.22	-58.69
CCC1(C(=O)[O-])CCCN1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587839	0	65	0.0	-82.08	430.22	11.20	-70.88
CCC1(C(=O)[O-])CCCN1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587839	1	65	0.0	-73.59	433.81	10.37	-63.22
CC1(C)C[N@@H+](C2(CNC(=O)NC3(C(=O)[O-])COC3)CCCCC2)CCO1	REAL300012587840	0	57	0.0	-69.33	390.33	5.12	-64.21
CC1(C)C[N@H+](C2(CNC(=O)NC3(C(=O)[O-])COC3)CCCCC2)CCO1	REAL300012587840	1	57	0.0	-65.17	392.93	4.42	-60.75
CC(C)C(C)(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587841	0	64	0.0	-70.43	417.35	8.46	-61.97
CC(C)C(C)(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587841	1	64	0.0	-64.62	422.55	7.71	-56.91
CC1(C)C[N@@H+](C2(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587842	0	60	0.0	-79.97	407.34	9.72	-70.25
CC1(C)C[N@H+](C2(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587842	1	60	0.0	-80.85	404.48	10.42	-70.43
CC1(C)C[N@@H+](C2(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587843	0	63	0.0	-77.85	423.50	9.29	-68.56
CC1(C)C[N@H+](C2(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587843	1	63	0.0	-79.16	420.30	10.14	-69.02
CCC(C(=O)[O-])N(CC)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587844	0	64	0.0	-67.77	426.26	9.49	-58.28
CCC(C(=O)[O-])N(CC)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587844	1	64	0.0	-66.24	424.85	9.31	-56.93
CC1(C)C[N@@H+](C2(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587845	0	59	0.0	-68.91	406.76	8.62	-60.29
CC1(C)C[N@H+](C2(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CCCCC2)CCO1	REAL300012587845	1	59	0.0	-74.24	406.59	8.61	-65.63
CC1(C)C[N@@H+](C2(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])CCCCC2)CCO1	REAL300012587846	0	61	0.0	-38.59	400.63	9.76	-28.83
CC1(C)C[N@H+](C2(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])CCCCC2)CCO1	REAL300012587846	1	61	0.0	-37.65	409.90	9.24	-28.41
CC1(C)CCN(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1C(=O)[O-]	REAL300012587847	0	65	0.0	-79.30	431.22	10.17	-69.13
CC1(C)CCN(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1C(=O)[O-]	REAL300012587847	1	65	0.0	-72.28	436.60	9.17	-63.11
CC(C)CCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587848	0	67	0.0	-70.27	458.62	9.58	-60.69
CC(C)CCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587848	1	67	0.0	-69.14	462.26	8.71	-60.43
CC1(C)C[N@@H+](C2(CNC(=O)NC3(C(=O)[O-])CCC4CC43)CCCCC2)CCO1	REAL300012587849	0	63	0.0	-68.43	425.72	8.35	-60.08
CC1(C)C[N@H+](C2(CNC(=O)NC3(C(=O)[O-])CCC4CC43)CCCCC2)CCO1	REAL300012587849	1	63	0.0	-72.91	425.36	8.36	-64.55
CC1(C)C[N@@H+](C2(CNC(=O)NC(C(=O)[O-])C3CCCC3)CCCCC2)CCO1	REAL300012587850	0	65	0.0	-69.64	437.75	8.21	-61.43
CC1(C)C[N@H+](C2(CNC(=O)NC(C(=O)[O-])C3CCCC3)CCCCC2)CCO1	REAL300012587850	1	65	0.0	-71.06	434.54	9.04	-62.02
CO[C@H](C)[C@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587851	0	62	0.0	-73.13	428.30	6.70	-66.43
CO[C@H](C)[C@H](NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587851	1	62	0.0	-65.58	431.10	5.89	-59.69
CC1[C@@H](C)[C@@]1(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587852	0	62	0.0	-74.98	420.48	8.18	-66.80
CC1[C@@H](C)[C@@]1(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587852	1	62	0.0	-76.04	424.71	8.38	-67.66
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1	REAL300012587853	0	65	0.0	-47.46	440.87	9.29	-38.17
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1	REAL300012587853	1	65	0.0	-46.98	441.06	9.29	-37.69
COCCCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587854	0	65	0.0	-70.12	453.47	7.30	-62.82
COCCCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587854	1	65	0.0	-67.87	456.87	6.49	-61.38
CCCC(C(=O)[O-])N(C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587855	0	64	0.0	-65.75	433.62	9.40	-56.35
CCCC(C(=O)[O-])N(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587855	1	64	0.0	-61.57	434.16	9.45	-52.12
CCOCC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587856	0	62	0.0	-72.11	432.00	6.68	-65.43
CCOCC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587856	1	62	0.0	-69.49	434.91	5.84	-63.65
CC(C)(C)CC(NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587857	0	67	0.0	-65.67	451.94	9.07	-56.60
CC(C)(C)CC(NC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300012587857	1	67	0.0	-69.65	452.56	9.03	-60.62
C[C@H]1OCCN(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)[C@@H]1C(=O)[O-]	REAL300012587858	0	63	0.0	-77.27	422.76	8.11	-69.16
C[C@H]1OCCN(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)[C@@H]1C(=O)[O-]	REAL300012587858	1	63	0.0	-76.02	422.90	8.09	-67.93
CC1(C)C[N@@H+](C2(CNC(=O)NC(CCC#N)C(=O)[O-])CCCCC2)CCO1	REAL300012587859	0	59	0.0	-66.15	422.31	7.21	-58.94
CC1(C)C[N@H+](C2(CNC(=O)NC(CCC#N)C(=O)[O-])CCCCC2)CCO1	REAL300012587859	1	59	0.0	-66.76	421.96	7.19	-59.57
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587860	0	58	0.0	-66.88	388.24	8.38	-58.50
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	REAL300012587860	1	58	0.0	-60.47	392.21	7.60	-52.87
O=C([O-])CNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012588156	1	42	0.0	-73.96	363.78	7.10	-66.86
CCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1)C(=O)[O-]	REAL300012588157	1	48	0.0	-82.53	406.40	8.94	-73.59
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012588158	1	45	0.0	-83.68	382.16	9.73	-73.95
CC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1)C(=O)[O-]	REAL300012588159	1	45	0.0	-74.42	384.57	7.92	-66.50
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012588160	1	45	0.0	-83.68	382.16	9.73	-73.95
CC(C)(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1)C(=O)[O-]	REAL300012588161	1	48	0.0	-73.27	397.14	8.31	-64.96
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012588162	1	48	0.0	-82.18	404.33	10.75	-71.43
C[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1)C(=O)[O-]	REAL300012588163	1	45	0.0	-76.24	384.21	7.87	-68.37
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012588164	1	48	0.0	-82.18	404.33	10.75	-71.43
C[C@@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1)C(=O)[O-]	REAL300012588165	1	45	0.0	-76.39	384.53	7.84	-68.55
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C(Cl)=C3)CC2)CC1	REAL300012588166	1	46	0.0	-86.19	390.42	9.07	-77.12
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012588167	1	48	0.0	-80.39	396.06	9.80	-70.59
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012588168	1	48	0.0	-81.69	396.00	9.90	-71.79
O=C([O-])C(CF)NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012588169	1	45	0.0	-71.80	388.18	7.93	-63.87
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012588170	1	48	0.0	-81.69	396.00	9.90	-71.79
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012588171	1	48	0.0	-81.68	396.00	9.90	-71.78
CC[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1)C(=O)[O-]	REAL300012588172	1	48	0.0	-85.23	406.04	8.90	-76.33
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012588173	1	48	0.0	-81.68	396.00	9.90	-71.78
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012588174	1	48	0.0	-80.39	396.06	9.80	-70.59
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)=N1	REAL300012589132	1	59	0.0	-80.46	453.11	6.55	-73.91
C=CCOCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589133	1	58	0.0	-80.71	461.07	5.00	-75.71
C=CC(C)C(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589134	1	57	0.0	-81.34	438.97	6.04	-75.30
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC(C)CC3C(=O)[O-])CC2)=N1	REAL300012589135	1	60	0.0	-90.09	438.13	8.47	-81.62
CCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1	REAL300012589136	1	56	0.0	-65.66	433.88	7.78	-57.88
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C(C)C(=O)[O-])C3CCC3)CC2)=N1	REAL300012589137	1	60	0.0	-68.66	446.47	8.18	-60.48
CCCN(C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(CC)C(=O)[O-]	REAL300012589138	1	62	0.0	-69.20	459.45	8.63	-60.57
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C(C)C)CC2)=N1	REAL300012589139	1	56	0.0	-80.33	425.58	5.51	-74.82
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCCCC3C(=O)[O-])CC2)=N1	REAL300012589140	1	57	0.0	-91.08	424.54	8.39	-82.69
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCSCC3C(=O)[O-])CC2)=N1	REAL300012589141	1	55	0.0	-87.46	424.11	8.15	-79.31
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CCCCC3)CC2)=N1	REAL300012589142	1	60	0.0	-83.34	443.98	7.41	-75.93
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCCC3C(=O)[O-])CC2)=N1	REAL300012589143	1	54	0.0	-88.45	413.20	7.13	-81.32
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CCCC3)CC2)=N1	REAL300012589144	1	57	0.0	-84.43	429.45	6.33	-78.10
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCC(=O)[O-])CC2)=N1	REAL300012589145	1	47	0.0	-68.42	371.84	3.36	-65.06
CCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589146	1	53	0.0	-78.78	414.45	5.22	-73.56
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C(C)C)CC2)=N1	REAL300012589147	1	56	0.0	-80.33	425.58	5.51	-74.82
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C)CC(=O)[O-])CC2)=N1	REAL300012589148	1	50	0.0	-78.29	390.57	6.05	-72.24
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C)C(=O)[O-])CC2)=N1	REAL300012589149	1	50	0.0	-69.08	392.94	4.15	-64.93
CCC(C)C(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589150	1	59	0.0	-78.51	447.57	6.44	-72.07
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C)CC(=O)[O-])CC2)=N1	REAL300012589151	1	50	0.0	-78.29	390.57	6.05	-72.24
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCCCC3C(=O)[O-])CC2)=N1	REAL300012589152	1	57	0.0	-91.08	424.54	8.39	-82.69
CCCC(C)(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589153	1	59	0.0	-81.87	440.09	6.33	-75.54
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])C(C)C)CC2)=N1	REAL300012589154	1	56	0.0	-66.44	422.52	7.30	-59.14
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])C3CC3)CC2)=N1	REAL300012589155	1	54	0.0	-67.99	415.64	7.56	-60.43
C=CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1	REAL300012589156	1	54	0.0	-65.35	425.19	7.59	-57.76
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])CC(C)C)CC2)=N1	REAL300012589157	1	59	0.0	-65.61	448.53	8.30	-57.31
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C)(C)C(=O)[O-])CC2)=N1	REAL300012589158	1	53	0.0	-67.14	405.20	4.59	-62.55
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C)(C(=O)[O-])C3CC3)CC2)=N1	REAL300012589159	1	57	0.0	-82.25	428.08	6.34	-75.91
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CCCCC3)CC2)=N1	REAL300012589160	1	60	0.0	-83.34	443.98	7.41	-75.93
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])C(C)C)CC2)=N1	REAL300012589161	1	56	0.0	-66.44	422.52	7.30	-59.14
CCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1	REAL300012589162	1	56	0.0	-65.66	433.88	7.78	-57.88
CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1	REAL300012589163	1	53	0.0	-78.46	412.38	7.03	-71.43
CC[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589164	1	59	0.0	-81.12	445.69	6.17	-74.95
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CCCC3)CC2)=N1	REAL300012589165	1	57	0.0	-84.43	429.45	6.33	-78.10
CCC(C)(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589166	1	56	0.0	-81.52	418.59	5.57	-75.95
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@@H](C)C(=O)[O-])CC2)=N1	REAL300012589167	1	50	0.0	-70.22	392.45	4.21	-66.01
CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1	REAL300012589168	1	53	0.0	-78.46	412.38	7.03	-71.43
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@H](C)C(=O)[O-])CC2)=N1	REAL300012589169	1	50	0.0	-70.34	392.62	4.19	-66.15
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CC3)CC2)=N1	REAL300012589170	1	51	0.0	-86.02	397.34	5.34	-80.68
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCOCC3C(=O)[O-])CC2)=N1	REAL300012589171	1	55	0.0	-87.27	415.71	5.73	-81.54
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C3CC3)CC2)=N1	REAL300012589172	1	54	0.0	-80.74	424.20	5.75	-74.99
COCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1	REAL300012589173	1	57	0.0	-65.93	443.76	6.21	-59.72
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)=N1	REAL300012589174	1	54	0.0	-87.11	413.50	6.79	-80.32
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])CC2)=N1	REAL300012589175	1	57	0.0	-89.35	423.56	8.13	-81.22
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C)[C@H](C)C(=O)[O-])CC2)=N1	REAL300012589176	1	53	0.0	-75.68	404.97	6.18	-69.50
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC[C@H]3C(=O)[O-])CC2)=N1	REAL300012589177	1	54	0.0	-88.37	412.75	7.11	-81.26
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CCC3)CC2)=N1	REAL300012589178	1	54	0.0	-85.43	414.12	5.88	-79.55
C=CCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589179	1	54	0.0	-78.34	427.73	5.67	-72.67
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCCC3(C)C(=O)[O-])CC2)=N1	REAL300012589180	1	57	0.0	-86.45	430.28	7.69	-78.76
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCCCCC3C(=O)[O-])CC2)=N1	REAL300012589181	1	60	0.0	-89.84	437.36	8.78	-81.06
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C3CC3)CC2)=N1	REAL300012589182	1	54	0.0	-80.74	424.20	5.75	-74.99
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C)C(C)C(=O)[O-])CC2)=N1	REAL300012589183	1	53	0.0	-74.12	405.47	6.28	-67.84
CCCCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589184	1	59	0.0	-78.64	457.45	6.76	-71.88
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])CC2)=N1	REAL300012589185	1	57	0.0	-86.15	429.88	7.65	-78.50
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])C3CCCC3)CC2)=N1	REAL300012589186	1	60	0.0	-66.16	448.71	8.60	-57.56
COCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589187	1	54	0.0	-79.94	426.31	3.45	-76.49
CCCCCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589188	1	62	0.0	-78.64	478.95	7.54	-71.10
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C)C3(C(=O)[O-])CCCC3)CC2)=N1	REAL300012589189	1	60	0.0	-86.90	438.45	7.97	-78.93
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C(C)C(=O)[O-])C3CC3)CC2)=N1	REAL300012589190	1	57	0.0	-68.57	430.83	7.61	-60.96
CCC(C(=O)[O-])N(C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C1CC1	REAL300012589191	1	60	0.0	-66.30	451.47	8.72	-57.58
COCC(C)(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589192	1	57	0.0	-83.74	436.84	4.87	-78.87
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1	REAL300012589193	1	60	0.0	-75.60	456.83	6.53	-69.07
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])CC(C)C)CC2)=N1	REAL300012589194	1	59	0.0	-65.61	448.53	8.30	-57.31
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])C3CC3)CC2)=N1	REAL300012589195	1	54	0.0	-67.99	415.64	7.56	-60.43
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CCOC3)CC2)=N1	REAL300012589196	1	55	0.0	-79.88	418.64	3.67	-76.21
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CCOCC3)CC2)=N1	REAL300012589197	1	58	0.0	-83.20	433.95	4.88	-78.32
C=CCCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589198	1	57	0.0	-78.04	448.52	6.60	-71.44
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(CF)C(=O)[O-])CC2)=N1	REAL300012589199	1	50	0.0	-66.70	396.23	4.20	-62.50
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C)C(C)C(=O)[O-])CC2)=N1	REAL300012589200	1	53	0.0	-74.12	405.47	6.28	-67.84
CCC(CC)(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589201	1	59	0.0	-80.48	434.97	6.47	-74.01
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1	REAL300012589202	1	59	0.0	-64.83	443.10	8.36	-56.47
CCC(COC)(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589203	1	60	0.0	-85.06	453.28	5.78	-79.28
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(CC3CC3)C(=O)[O-])CC2)=N1	REAL300012589204	1	57	0.0	-80.92	446.06	6.76	-74.16
COCCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589205	1	57	0.0	-78.17	447.89	4.33	-73.84
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])CC2)=N1	REAL300012589206	1	62	0.0	-76.10	464.62	8.65	-67.45
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(CC(F)F)C(=O)[O-])CC2)=N1	REAL300012589207	1	53	0.0	-77.87	426.56	5.56	-72.31
CCCN(C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(C)C(=O)[O-]	REAL300012589208	1	59	0.0	-61.12	442.79	8.56	-52.56
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(CCF)C(=O)[O-])CC2)=N1	REAL300012589209	1	53	0.0	-77.21	421.04	5.36	-71.85
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C)(CCF)C(=O)[O-])CC2)=N1	REAL300012589210	1	56	0.0	-78.43	425.18	5.73	-72.70
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC2)=N1	REAL300012589211	1	53	0.0	-76.07	404.40	6.22	-69.85
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CC4CC3(C(=O)[O-])C4)CC2)=N1	REAL300012589212	1	55	0.0	-92.43	419.02	7.71	-84.72
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC2)=N1	REAL300012589213	1	59	0.0	-80.07	443.63	6.33	-73.74
C=C(Cl)CC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589214	1	54	0.0	-74.75	442.92	6.34	-68.41
C=C(C)CC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589215	1	57	0.0	-79.36	447.59	6.52	-72.84
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)CC2)=N1	REAL300012589216	1	58	0.0	-96.17	435.00	8.58	-87.59
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)=N1	REAL300012589217	1	54	0.0	-83.90	417.99	6.82	-77.08
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](CC3=NC(C)=C(C)O3)CC2)C1	REAL300012589218	1	55	0.0	-86.66	426.92	7.19	-79.47
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)=N1	REAL300012589219	1	59	0.0	-80.46	453.11	6.55	-73.91
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(CC3CC3)C(=O)[O-])CC2)=N1	REAL300012589220	1	57	0.0	-80.92	446.06	6.76	-74.16
CSCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589221	1	54	0.0	-76.58	438.15	5.56	-71.02
COC[C@H](NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589222	1	54	0.0	-81.61	426.31	3.44	-78.17
CC[C@H](NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589223	1	53	0.0	-80.13	414.45	5.21	-74.92
CCC(C)CC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589224	1	62	0.0	-78.95	471.27	7.23	-71.72
C=CCCCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589225	1	60	0.0	-78.27	470.02	7.38	-70.89
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCSCC3C(=O)[O-])CC2)=N1	REAL300012589226	1	55	0.0	-87.46	424.11	8.15	-79.31
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)=N1	REAL300012589227	1	54	0.0	-87.11	413.50	6.79	-80.32
CCCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589228	1	56	0.0	-78.76	435.95	5.98	-72.78
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC2)=N1	REAL300012589229	1	56	0.0	-80.69	430.03	5.75	-74.94
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])CC2)=N1	REAL300012589230	1	58	0.0	-92.72	434.75	8.63	-84.09
CCN(C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(C)(C)C(=O)[O-]	REAL300012589231	1	59	0.0	-83.05	439.18	8.00	-75.05
CCCN(C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(C)C(=O)[O-]	REAL300012589232	1	59	0.0	-61.12	442.79	8.56	-52.56
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C)C(C)(C)C(=O)[O-])CC2)=N1	REAL300012589233	1	56	0.0	-83.06	419.60	7.12	-75.94
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC[C@H]3C(=O)[O-])CC2)=N1	REAL300012589234	1	54	0.0	-88.37	412.75	7.11	-81.26
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])CC2)=N1	REAL300012589235	1	55	0.0	-88.94	425.21	3.45	-85.49
CCC[C@@H](NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589236	1	56	0.0	-79.82	435.71	6.04	-73.78
C=CCCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589237	1	57	0.0	-78.04	448.52	6.60	-71.44
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])CC2)=N1	REAL300012589238	1	57	0.0	-86.53	429.87	7.66	-78.87
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@H](C(=O)[O-])C(C)C)CC2)=N1	REAL300012589239	1	56	0.0	-80.52	425.68	5.49	-75.03
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC2)=N1	REAL300012589240	1	53	0.0	-76.07	404.40	6.22	-69.85
CCC[C@H](NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589241	1	56	0.0	-80.09	435.95	5.97	-74.12
CCN(C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(C)C(=O)[O-]	REAL300012589242	1	56	0.0	-74.57	421.65	6.95	-67.62
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])C3CCCC3)CC2)=N1	REAL300012589243	1	60	0.0	-66.16	448.71	8.60	-57.56
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C)CC(C)C(=O)[O-])CC2)=N1	REAL300012589244	1	56	0.0	-80.22	425.69	6.71	-73.51
CC[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589245	1	59	0.0	-81.12	445.69	6.17	-74.95
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1	REAL300012589246	1	56	0.0	-76.46	424.83	7.36	-69.10
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)CC2)=N1	REAL300012589247	1	58	0.0	-85.57	447.84	3.21	-82.36
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CCC(C)C3)CC2)=N1	REAL300012589248	1	60	0.0	-83.75	450.53	6.95	-76.80
COCCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589249	1	57	0.0	-78.17	447.89	4.33	-73.84
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)CC2)=N1	REAL300012589250	1	60	0.0	-86.06	452.00	7.63	-78.43
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C3(C)CC3)CC2)=N1	REAL300012589251	1	57	0.0	-81.96	435.90	6.55	-75.41
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])CC2)=N1	REAL300012589252	1	55	0.0	-93.72	423.76	3.53	-90.19
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C3CCOC3)CC2)=N1	REAL300012589253	1	58	0.0	-77.25	444.54	4.23	-73.02
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])CC2)=N1	REAL300012589254	1	58	0.0	-91.09	435.31	8.29	-82.80
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)CC2)=N1	REAL300012589255	1	56	0.0	-89.10	427.82	5.94	-83.16
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CC(C)CCC3C(=O)[O-])CC2)=N1	REAL300012589256	1	60	0.0	-90.55	445.38	8.98	-81.57
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C3CCC3)CC2)=N1	REAL300012589257	1	57	0.0	-79.15	434.12	6.17	-72.98
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C3CCC3)CC2)=N1	REAL300012589258	1	57	0.0	-79.15	434.12	6.17	-72.98
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC(C)C3C(=O)[O-])CC2)=N1	REAL300012589259	1	57	0.0	-88.10	433.11	7.37	-80.73
C=CCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589260	1	54	0.0	-78.34	427.73	5.67	-72.67
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])CC2)=N1	REAL300012589261	1	58	0.0	-62.97	436.13	7.86	-55.11
COC1CC(NC(=O)NCC2CC[NH+](CC3=NC(C)=C(C)O3)CC2)(C(=O)[O-])C1	REAL300012589262	1	58	0.0	-87.52	449.04	4.89	-82.63
CO[C@H]1C[C@](NC(=O)NCC2CC[NH+](CC3=NC(C)=C(C)O3)CC2)(C(=O)[O-])C1	REAL300012589263	1	58	0.0	-83.13	445.81	4.80	-78.33
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1	REAL300012589264	1	60	0.0	-89.31	443.60	8.91	-80.40
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])COC3)CC2)=N1	REAL300012589265	1	52	0.0	-78.96	405.09	2.91	-76.05
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)CC2)=N1	REAL300012589266	1	59	0.0	-80.46	435.32	6.26	-74.20
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])CC2)=N1	REAL300012589267	1	55	0.0	-91.09	420.03	8.31	-82.78
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])CC2)=N1	REAL300012589268	1	58	0.0	-89.10	434.76	7.66	-81.44
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1	REAL300012589269	1	59	0.0	-75.21	438.66	7.92	-67.29
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)=N1	REAL300012589270	1	54	0.0	-83.90	417.99	6.82	-77.08
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])CC2)=N1	REAL300012589271	1	56	0.0	-64.48	429.30	7.94	-56.54
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])CC2)=N1	REAL300012589272	1	60	0.0	-88.11	449.35	7.76	-80.35
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(CCC(C)C)C(=O)[O-])CC2)=N1	REAL300012589273	1	62	0.0	-78.90	475.02	7.28	-71.62
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CCC4CC43)CC2)=N1	REAL300012589274	1	58	0.0	-87.71	436.94	7.15	-80.56
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C3CCCC3)CC2)=N1	REAL300012589275	1	60	0.0	-79.50	450.61	6.79	-72.71
CO[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589276	1	57	0.0	-81.44	444.46	4.45	-76.99
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)CC2)=N1	REAL300012589277	1	57	0.0	-87.47	437.48	6.95	-80.52
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])CC2)=N1	REAL300012589278	1	60	0.0	-64.04	451.57	7.87	-56.17
COCCCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589279	1	60	0.0	-78.36	469.63	5.05	-73.31
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1	REAL300012589280	1	59	0.0	-74.76	446.92	8.02	-66.74
CCOCC(NC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300012589281	1	57	0.0	-80.02	448.03	4.47	-75.55
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC2)=N1	REAL300012589282	1	62	0.0	-81.90	465.31	7.59	-74.31
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])CC2)=N1	REAL300012589283	1	58	0.0	-88.68	434.03	6.62	-82.06
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(CCC#N)C(=O)[O-])CC2)=N1	REAL300012589284	1	54	0.0	-79.02	435.07	5.77	-73.25
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C)[C@H](C)C(=O)[O-])CC2)=N1	REAL300012589285	1	53	0.0	-75.68	404.97	6.18	-69.50
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)=CS1	REAL300012589286	1	59	0.0	-78.36	461.50	8.46	-69.90
C=CC(C)C(NC(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1)C(=O)[O-]	REAL300012589287	1	57	0.0	-76.53	449.54	8.36	-68.17
CCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1	REAL300012589288	1	56	0.0	-58.43	442.74	10.07	-48.36
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C(C)C)CC2)=CS1	REAL300012589289	1	56	0.0	-74.52	434.44	7.79	-66.73
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCCCC3C(=O)[O-])CC2)=CS1	REAL300012589290	1	57	0.0	-88.45	432.96	10.64	-77.81
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCCC3C(=O)[O-])CC2)=CS1	REAL300012589291	1	54	0.0	-85.30	422.02	9.10	-76.20
CCC1=NC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CCCC3)CC2)=CS1	REAL300012589292	1	57	0.0	-82.74	437.69	8.26	-74.48
CCC1=NC(C[NH+]2CCC(CNC(=O)NCC(=O)[O-])CC2)=CS1	REAL300012589293	1	47	0.0	-65.39	380.70	5.63	-59.76
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(CC)C(=O)[O-])CC2)=CS1	REAL300012589294	1	53	0.0	-78.04	423.31	7.49	-70.55
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C(C)C)CC2)=CS1	REAL300012589295	1	56	0.0	-74.52	434.44	7.79	-66.73
CCC1=NC(C[NH+]2CCC(CNC(=O)N(C)CC(=O)[O-])CC2)=CS1	REAL300012589296	1	50	0.0	-77.40	399.43	8.33	-69.07
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C)C(=O)[O-])CC2)=CS1	REAL300012589297	1	50	0.0	-66.54	401.49	6.47	-60.07
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C(C)CC)CC2)=CS1	REAL300012589298	1	59	0.0	-79.24	458.29	8.70	-70.54
CCC1=NC(C[NH+]2CCC(CNC(=O)N(C)CC(=O)[O-])CC2)=CS1	REAL300012589299	1	50	0.0	-77.40	399.43	8.33	-69.07
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCCCC3C(=O)[O-])CC2)=CS1	REAL300012589300	1	57	0.0	-88.45	432.96	10.64	-77.81
CCCC(C)(NC(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1)C(=O)[O-]	REAL300012589301	1	59	0.0	-76.09	448.94	8.63	-67.46
CCC1=NC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])C(C)C)CC2)=CS1	REAL300012589302	1	56	0.0	-59.40	431.36	9.58	-49.82
CCC1=NC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])C3CC3)CC2)=CS1	REAL300012589303	1	54	0.0	-59.54	424.06	9.79	-49.75
C=CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1	REAL300012589304	1	54	0.0	-58.29	434.05	9.88	-48.41
CCC1=NC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])CC(C)C)CC2)=CS1	REAL300012589305	1	59	0.0	-57.73	457.16	10.37	-47.36
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C)(C)C(=O)[O-])CC2)=CS1	REAL300012589306	1	53	0.0	-64.13	414.06	6.87	-57.26
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C)(C(=O)[O-])C3CC3)CC2)=CS1	REAL300012589307	1	57	0.0	-80.16	436.88	8.31	-71.85
CCC1=NC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])C(C)C)CC2)=CS1	REAL300012589308	1	56	0.0	-59.40	431.36	9.58	-49.82
CCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1	REAL300012589309	1	56	0.0	-58.43	442.74	10.07	-48.36
CCC1=NC(C[NH+]2CCC(CNC(=O)N(CC)CC(=O)[O-])CC2)=CS1	REAL300012589310	1	53	0.0	-77.88	421.24	9.31	-68.57
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC2)=CS1	REAL300012589311	1	59	0.0	-77.81	452.43	8.06	-69.75
CCC1=NC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CCCC3)CC2)=CS1	REAL300012589312	1	57	0.0	-82.74	437.69	8.26	-74.48
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C)(CC)C(=O)[O-])CC2)=CS1	REAL300012589313	1	56	0.0	-75.79	427.45	7.86	-67.93
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@@H](C)C(=O)[O-])CC2)=CS1	REAL300012589314	1	50	0.0	-67.35	401.01	6.11	-61.24
CCC1=NC(C[NH+]2CCC(CNC(=O)N(CC)CC(=O)[O-])CC2)=CS1	REAL300012589315	1	53	0.0	-77.88	421.24	9.31	-68.57
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@H](C)C(=O)[O-])CC2)=CS1	REAL300012589316	1	50	0.0	-67.39	401.01	6.11	-61.28
CCC1=NC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CC3)CC2)=CS1	REAL300012589317	1	51	0.0	-84.29	407.60	7.38	-76.91
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCOCC3C(=O)[O-])CC2)=CS1	REAL300012589318	1	55	0.0	-86.39	424.50	7.81	-78.58
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C3CC3)CC2)=CS1	REAL300012589319	1	54	0.0	-77.29	429.76	7.61	-69.68
CCC1=NC(C[NH+]2CCC(CNC(=O)N(CCOC)CC(=O)[O-])CC2)=CS1	REAL300012589320	1	57	0.0	-59.04	452.62	8.49	-50.55
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)=CS1	REAL300012589321	1	54	0.0	-85.29	422.43	8.73	-76.56
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])CC2)=CS1	REAL300012589322	1	57	0.0	-88.30	432.50	10.06	-78.24
CCC1=NC(C[NH+]2CCC(CNC(=O)N(C)[C@H](C)C(=O)[O-])CC2)=CS1	REAL300012589323	1	53	0.0	-73.93	412.82	8.03	-65.90
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCC[C@H]3C(=O)[O-])CC2)=CS1	REAL300012589324	1	54	0.0	-85.23	422.07	9.10	-76.13
CCC1=NC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CCC3)CC2)=CS1	REAL300012589325	1	54	0.0	-83.58	424.40	7.90	-75.68
C=CCC(NC(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1)C(=O)[O-]	REAL300012589326	1	54	0.0	-77.32	436.35	8.02	-69.30
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCCC3(C)C(=O)[O-])CC2)=CS1	REAL300012589327	1	57	0.0	-84.76	438.73	9.59	-75.17
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C3CC3)CC2)=CS1	REAL300012589328	1	54	0.0	-77.29	429.76	7.61	-69.68
CCC1=NC(C[NH+]2CCC(CNC(=O)N(C)C(C)C(=O)[O-])CC2)=CS1	REAL300012589329	1	53	0.0	-72.93	414.34	8.56	-64.37
CCCCC(NC(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1)C(=O)[O-]	REAL300012589330	1	59	0.0	-77.59	466.07	9.11	-68.48
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])CC2)=CS1	REAL300012589331	1	57	0.0	-84.73	438.68	9.58	-75.15
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(COC)C(=O)[O-])CC2)=CS1	REAL300012589332	1	54	0.0	-79.33	435.17	5.73	-73.60
CCC1=NC(C[NH+]2CCC(CNC(=O)N(C(C)C(=O)[O-])C3CC3)CC2)=CS1	REAL300012589333	1	57	0.0	-61.60	439.20	9.96	-51.64
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C)(COC)C(=O)[O-])CC2)=CS1	REAL300012589334	1	57	0.0	-82.84	445.70	7.15	-75.69
CCC1=NC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])CC(C)C)CC2)=CS1	REAL300012589335	1	59	0.0	-57.73	457.16	10.37	-47.36
CCC1=NC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])C3CC3)CC2)=CS1	REAL300012589336	1	54	0.0	-59.54	424.06	9.79	-49.75
CCC1=NC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])CCOC3)CC2)=CS1	REAL300012589337	1	55	0.0	-77.81	428.39	5.64	-72.17
C=CCCC(NC(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1)C(=O)[O-]	REAL300012589338	1	57	0.0	-77.83	457.62	8.83	-69.00
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(CF)C(=O)[O-])CC2)=CS1	REAL300012589339	1	50	0.0	-64.83	405.41	6.46	-58.37
CCC1=NC(C[NH+]2CCC(CNC(=O)N(C)C(C)C(=O)[O-])CC2)=CS1	REAL300012589340	1	53	0.0	-72.93	414.34	8.56	-64.37
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(CC)(CC)C(=O)[O-])CC2)=CS1	REAL300012589341	1	59	0.0	-76.98	444.13	8.75	-68.23
CCC1=NC(C[NH+]2CCC(CNC(=O)N(CC(=O)[O-])C(C)CC)CC2)=CS1	REAL300012589342	1	59	0.0	-57.60	451.96	10.64	-46.96
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(CC3CC3)C(=O)[O-])CC2)=CS1	REAL300012589343	1	57	0.0	-77.95	454.96	8.55	-69.40
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(CCOC)C(=O)[O-])CC2)=CS1	REAL300012589344	1	57	0.0	-78.05	456.99	6.56	-71.49
CCCN(C(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1)C(C)C(=O)[O-]	REAL300012589345	1	59	0.0	-52.53	453.53	10.92	-41.61
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(CCF)C(=O)[O-])CC2)=CS1	REAL300012589346	1	53	0.0	-76.22	429.66	7.69	-68.53
CCC1=NC(C[NH+]2CCC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC2)=CS1	REAL300012589347	1	53	0.0	-73.07	413.87	8.19	-64.88
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CC4CC3(C(=O)[O-])C4)CC2)=CS1	REAL300012589348	1	55	0.0	-91.17	429.28	9.73	-81.44
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC2)=CS1	REAL300012589349	1	59	0.0	-79.31	453.63	8.24	-71.07
C=C(C)CC(NC(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1)C(=O)[O-]	REAL300012589350	1	57	0.0	-78.80	456.45	8.81	-69.99
CCC1=NC(C[NH+]2CCC(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)=CS1	REAL300012589351	1	54	0.0	-82.17	428.50	9.20	-72.97
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](CC3=CSC(CC)=N3)CC2)C1	REAL300012589352	1	55	0.0	-85.63	435.89	9.10	-76.53
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)=CS1	REAL300012589353	1	59	0.0	-78.36	461.50	8.46	-69.90
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(CC3CC3)C(=O)[O-])CC2)=CS1	REAL300012589354	1	57	0.0	-77.95	454.96	8.55	-69.40
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@@H](COC)C(=O)[O-])CC2)=CS1	REAL300012589355	1	54	0.0	-78.92	434.21	5.35	-73.57
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@@H](CC)C(=O)[O-])CC2)=CS1	REAL300012589356	1	53	0.0	-77.93	422.84	7.12	-70.81
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)=CS1	REAL300012589357	1	54	0.0	-85.29	422.43	8.73	-76.56
CCCC(NC(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1)C(=O)[O-]	REAL300012589358	1	56	0.0	-77.62	444.57	8.32	-69.30
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC2)=CS1	REAL300012589359	1	56	0.0	-78.26	439.88	7.71	-70.55
CCC1=NC(C[NH+]2CCC(CNC(=O)N(CC)C(C)(C)C(=O)[O-])CC2)=CS1	REAL300012589360	1	59	0.0	-82.48	448.04	10.28	-72.20
CCCN(C(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1)C(C)C(=O)[O-]	REAL300012589361	1	59	0.0	-52.53	453.53	10.92	-41.61
CCC1=NC(C[NH+]2CCC(CNC(=O)N(C)C(C)(C)C(=O)[O-])CC2)=CS1	REAL300012589362	1	56	0.0	-82.31	428.45	9.40	-72.91
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCC[C@H]3C(=O)[O-])CC2)=CS1	REAL300012589363	1	54	0.0	-85.23	422.07	9.10	-76.13
CCC1=NC(C[NH+]2CCC(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])CC2)=CS1	REAL300012589364	1	55	0.0	-87.28	434.07	5.40	-81.88
CCC[C@@H](NC(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1)C(=O)[O-]	REAL300012589365	1	56	0.0	-77.38	444.10	7.95	-69.43
C=CCCC(NC(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1)C(=O)[O-]	REAL300012589366	1	57	0.0	-77.83	457.62	8.83	-69.00
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])CC2)=CS1	REAL300012589367	1	57	0.0	-84.90	439.14	9.66	-75.24
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@H](C(=O)[O-])C(C)C)CC2)=CS1	REAL300012589368	1	56	0.0	-78.18	435.94	7.52	-70.66
CCC1=NC(C[NH+]2CCC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC2)=CS1	REAL300012589369	1	53	0.0	-73.07	413.87	8.19	-64.88
CCC[C@H](NC(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1)C(=O)[O-]	REAL300012589370	1	56	0.0	-77.27	443.52	7.92	-69.35
CCC1=NC(C[NH+]2CCC(CNC(=O)N(CC)C(C)C(=O)[O-])CC2)=CS1	REAL300012589371	1	56	0.0	-73.84	431.02	9.34	-64.50
CCC1=NC(C[NH+]2CCC(CNC(=O)N(C)CC(C)C(=O)[O-])CC2)=CS1	REAL300012589372	1	56	0.0	-77.08	434.54	8.99	-68.09
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC2)=CS1	REAL300012589373	1	59	0.0	-77.81	452.43	8.06	-69.75
CCC1=NC(C[NH+]2CCC(CNC(=O)N(C)[C@@H](CC)C(=O)[O-])CC2)=CS1	REAL300012589374	1	56	0.0	-74.34	433.26	9.11	-65.23
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(CCOC)C(=O)[O-])CC2)=CS1	REAL300012589375	1	57	0.0	-78.05	456.99	6.56	-71.49
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C3(C)CC3)CC2)=CS1	REAL300012589376	1	57	0.0	-78.69	451.57	8.25	-70.44
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])CC2)=CS1	REAL300012589377	1	55	0.0	-91.96	434.03	5.56	-86.40
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C3CCC3)CC2)=CS1	REAL300012589378	1	57	0.0	-78.32	442.51	8.09	-70.23
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C(=O)[O-])C3CCC3)CC2)=CS1	REAL300012589379	1	57	0.0	-78.32	442.51	8.09	-70.23
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCC(C)C3C(=O)[O-])CC2)=CS1	REAL300012589380	1	57	0.0	-86.43	443.39	9.40	-77.03
C=CCC(NC(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1)C(=O)[O-]	REAL300012589381	1	54	0.0	-77.32	436.35	8.02	-69.30
CCC1=NC(C[NH+]2CCC(CNC(=O)NC3(C(=O)[O-])COC3)CC2)=CS1	REAL300012589382	1	52	0.0	-77.03	415.37	4.93	-72.10
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)CC2)=CS1	REAL300012589383	1	59	0.0	-79.64	444.19	8.55	-71.09
CCC1=NC(C[NH+]2CCC(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])CC2)=CS1	REAL300012589384	1	55	0.0	-89.28	429.78	10.56	-78.72
CCC1=NC(C[NH+]2CCC(CNC(=O)N(CC)C(CC)C(=O)[O-])CC2)=CS1	REAL300012589385	1	59	0.0	-74.67	448.02	10.30	-64.37
CCC1=NC(C[NH+]2CCC(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)=CS1	REAL300012589386	1	54	0.0	-82.17	428.50	9.20	-72.97
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC2)=CS1	REAL300012589387	1	57	0.0	-79.04	452.84	6.37	-72.67
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)CC2)=CS1	REAL300012589388	1	57	0.0	-85.67	446.29	8.92	-76.75
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1	REAL300012589389	1	59	0.0	-73.77	456.29	10.42	-63.35
CCOCC(NC(=O)NCC1CC[NH+](CC2=CSC(CC)=N2)CC1)C(=O)[O-]	REAL300012589390	1	57	0.0	-79.52	456.89	6.76	-72.76
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(CCC#N)C(=O)[O-])CC2)=CS1	REAL300012589391	1	54	0.0	-78.95	444.17	8.00	-70.95
CCC1=NC(C[NH+]2CCC(CNC(=O)N(C)[C@H](C)C(=O)[O-])CC2)=CS1	REAL300012589392	1	53	0.0	-73.93	412.82	8.03	-65.90
CN(C)C1=NC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N1C	REAL300012589765	0	58	0.0	-66.02	449.80	6.48	-59.54
C#CCOC1=CC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012590188	0	56	0.0	-67.00	447.26	8.22	-58.78
CC(C)C[C@H](NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590321	0	61	0.0	-72.78	433.88	6.55	-66.23
C=CCOCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590322	0	60	0.0	-73.27	441.79	5.04	-68.23
C=CC(C)C(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590323	0	59	0.0	-78.86	419.97	6.16	-72.70
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012590324	0	63	0.0	-73.61	445.20	5.30	-68.31
COC1CCN(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C(C(=O)[O-])C1	REAL300012590325	0	63	0.0	-90.01	435.99	7.42	-82.59
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012590326	0	63	0.0	-70.50	439.03	4.83	-65.67
CC1CCN(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C(C(=O)[O-])C1	REAL300012590327	0	62	0.0	-86.83	418.54	8.42	-78.41
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590328	0	58	0.0	-65.93	413.99	7.60	-58.33
CC(C(=O)[O-])N(C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C1CCC1	REAL300012590329	0	62	0.0	-64.60	427.63	8.18	-56.42
CCCN(C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(COC)C(=O)[O-]	REAL300012590330	0	65	0.0	-78.73	456.85	8.51	-70.22
CCCN(C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(CC)C(=O)[O-]	REAL300012590331	0	64	0.0	-67.48	440.26	8.45	-59.03
CC(C)C(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590332	0	58	0.0	-78.62	412.21	5.82	-72.80
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012590333	0	59	0.0	-89.07	405.46	8.42	-80.65
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012590334	0	57	0.0	-84.35	404.22	7.94	-76.41
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012590335	0	62	0.0	-84.49	424.70	7.46	-77.03
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012590336	0	56	0.0	-85.21	393.33	6.93	-78.28
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012590337	0	59	0.0	-77.06	409.56	6.13	-70.93
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012590338	0	65	0.0	-77.64	429.73	7.90	-69.74
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012590339	0	62	0.0	-82.14	453.36	8.32	-73.82
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012590340	0	62	0.0	-66.44	451.48	9.84	-56.60
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC(=O)[O-])CC1	REAL300012590341	0	49	0.0	-62.20	352.56	3.39	-58.81
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012590342	0	59	0.0	-79.05	431.11	7.41	-71.64
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012590343	0	59	0.0	-73.56	430.49	7.18	-66.38
CCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590344	0	55	0.0	-77.63	394.93	5.31	-72.32
CC(C)C(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590345	0	58	0.0	-78.62	412.21	5.82	-72.80
CN(CC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590346	0	52	0.0	-70.90	370.68	5.85	-65.05
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012590347	0	62	0.0	-82.14	453.36	8.32	-73.82
CC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590348	0	52	0.0	-61.78	373.35	4.22	-57.56
CCC(C)C(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590349	0	61	0.0	-72.22	424.76	6.18	-66.04
CN(CC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590350	0	52	0.0	-70.90	370.68	5.85	-65.05
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012590351	0	59	0.0	-89.07	405.46	8.42	-80.65
CCCC(C)(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590352	0	61	0.0	-79.52	420.81	6.38	-73.14
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590353	0	58	0.0	-54.81	403.31	7.36	-47.45
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012590354	0	56	0.0	-71.76	397.42	7.22	-64.54
C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590355	0	56	0.0	-54.18	405.92	7.61	-46.57
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590356	0	61	0.0	-54.40	429.26	8.33	-46.07
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012590357	0	55	0.0	-60.96	385.92	4.62	-56.34
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012590358	0	59	0.0	-74.76	408.19	6.15	-68.61
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012590359	0	56	0.0	-76.45	421.72	6.21	-70.24
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012590360	0	62	0.0	-84.49	424.70	7.46	-77.03
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590361	0	58	0.0	-54.81	403.31	7.36	-47.45
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590362	0	58	0.0	-65.93	413.99	7.60	-58.33
CCN(CC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590363	0	55	0.0	-78.15	393.10	7.06	-71.09
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590364	0	61	0.0	-73.48	426.41	6.21	-67.27
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012590365	0	59	0.0	-77.06	409.56	6.13	-70.93
CCC(C)(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590366	0	58	0.0	-79.09	399.31	5.62	-73.47
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012590367	0	62	0.0	-75.94	438.52	7.87	-68.07
C[C@H](NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590368	0	52	0.0	-64.14	372.57	4.03	-60.11
CCN(CC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590369	0	55	0.0	-78.15	393.10	7.06	-71.09
CCCCCCC(C)(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590370	0	70	0.0	-79.85	485.31	8.70	-71.15
C[C@@H](NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590371	0	52	0.0	-61.79	372.74	4.00	-57.79
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012590372	0	53	0.0	-80.05	378.89	5.23	-74.82
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012590373	0	57	0.0	-83.64	395.81	5.54	-78.10
CN(C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C1(C(=O)[O-])CCCCC1	REAL300012590374	0	65	0.0	-77.96	433.32	8.55	-69.41
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012590375	0	56	0.0	-77.15	401.48	5.51	-71.64
CN(C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012590376	0	62	0.0	-70.01	438.14	8.64	-61.37
COCCN(CC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590377	0	59	0.0	-66.34	423.87	6.02	-60.32
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012590378	0	56	0.0	-86.40	394.69	6.85	-79.55
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012590379	0	59	0.0	-85.85	404.32	7.95	-77.90
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590380	0	55	0.0	-71.81	385.69	6.20	-65.61
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012590381	0	56	0.0	-85.26	393.30	6.94	-78.32
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012590382	0	56	0.0	-78.49	395.68	5.73	-72.76
C=CCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590383	0	56	0.0	-71.83	408.49	5.70	-66.13
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012590384	0	59	0.0	-85.70	410.39	7.48	-78.22
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012590385	0	62	0.0	-89.42	417.47	8.58	-80.84
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012590386	0	56	0.0	-77.15	401.48	5.51	-71.64
CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590387	0	55	0.0	-66.36	385.08	5.98	-60.38
CCCCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590388	0	61	0.0	-77.82	437.93	6.85	-70.97
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012590389	0	59	0.0	-85.96	410.83	7.60	-78.36
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012590390	0	62	0.0	-65.47	428.82	8.40	-57.07
COCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590391	0	56	0.0	-73.24	407.03	3.49	-69.75
CCCCCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590392	0	64	0.0	-77.96	459.43	7.63	-70.33
CCC1CCC(NC(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)(C(=O)[O-])CC1	REAL300012590393	0	68	0.0	-76.96	463.14	8.48	-68.48
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012590394	0	63	0.0	-66.06	437.26	6.74	-59.32
CN(C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C1(C(=O)[O-])CCCC1	REAL300012590395	0	62	0.0	-86.60	420.01	7.85	-78.75
CC(C(=O)[O-])N(C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C1CC1	REAL300012590396	0	59	0.0	-66.77	403.36	7.11	-59.66
CCC(C(=O)[O-])N(C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C1CC1	REAL300012590397	0	62	0.0	-54.02	431.57	8.51	-45.51
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012590398	0	59	0.0	-84.88	435.14	7.18	-77.70
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012590399	0	68	0.0	-73.14	475.50	8.45	-64.69
CC1=CC=C(C(NC(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300012590400	0	62	0.0	-74.55	452.50	8.08	-66.47
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012590401	0	55	0.0	-67.12	411.11	5.94	-61.18
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012590402	0	60	0.0	-73.06	421.77	6.93	-66.13
COCC(C)(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590403	0	59	0.0	-83.21	417.56	4.91	-78.30
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590404	0	62	0.0	-73.51	437.20	6.50	-67.01
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590405	0	61	0.0	-54.40	429.26	8.33	-46.07
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012590406	0	56	0.0	-71.76	397.42	7.22	-64.54
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012590407	0	58	0.0	-65.36	432.12	7.98	-57.38
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012590408	0	57	0.0	-77.41	400.20	3.52	-73.89
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012590409	0	65	0.0	-73.64	448.29	7.23	-66.41
CN(C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012590410	0	66	0.0	-75.18	463.49	7.90	-67.28
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012590411	0	60	0.0	-75.86	415.50	4.75	-71.11
C=CCCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590412	0	59	0.0	-77.77	429.24	6.63	-71.14
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012590413	0	52	0.0	-60.32	376.97	4.24	-56.08
CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590414	0	55	0.0	-66.36	385.08	5.98	-60.38
CCC(CC)(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590415	0	61	0.0	-75.14	415.99	6.51	-68.63
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590416	0	61	0.0	-53.42	423.83	8.39	-45.03
CCC(COC)(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590417	0	62	0.0	-85.29	434.00	5.82	-79.47
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590418	0	65	0.0	-66.09	457.89	7.37	-58.72
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012590419	0	59	0.0	-77.85	426.17	6.57	-71.28
COCCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590420	0	59	0.0	-77.71	428.60	4.37	-73.34
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590421	0	64	0.0	-74.88	444.97	8.48	-66.40
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012590422	0	55	0.0	-76.62	407.53	5.53	-71.09
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590423	0	65	0.0	-82.04	445.15	9.45	-72.59
CCCN(C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(C)C(=O)[O-]	REAL300012590424	0	61	0.0	-64.07	425.23	7.84	-56.23
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012590425	0	55	0.0	-75.65	401.53	5.45	-70.20
COC1(CC(NC(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C(=O)[O-])CCC1	REAL300012590426	0	66	0.0	-78.79	465.40	6.36	-72.43
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012590427	0	63	0.0	-66.06	437.26	6.74	-59.32
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012590428	0	65	0.0	-65.98	446.21	9.11	-56.87
C[C@H]1CC[C@@](NC(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)(C(=O)[O-])CC1	REAL300012590429	0	65	0.0	-84.97	438.49	7.85	-77.12
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012590430	0	58	0.0	-75.66	405.91	5.76	-69.90
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012590431	0	60	0.0	-57.14	428.96	7.96	-49.18
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012590432	0	56	0.0	-72.58	407.06	6.78	-65.80
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590433	0	55	0.0	-72.18	384.52	6.02	-66.16
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012590434	0	68	0.0	-78.33	451.99	8.11	-70.22
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012590435	0	57	0.0	-88.87	400.62	7.56	-81.31
COC1CN(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C(C)(C(=O)[O-])C1	REAL300012590436	0	63	0.0	-76.58	443.23	6.51	-70.07
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012590437	0	66	0.0	-72.08	462.10	6.84	-65.24
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012590438	0	61	0.0	-73.63	425.97	6.36	-67.27
C=C(Cl)CC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590439	0	56	0.0	-72.57	423.61	6.32	-66.25
C=C(C)CC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590440	0	59	0.0	-72.23	429.03	6.44	-65.79
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012590441	0	60	0.0	-91.91	415.42	8.37	-83.54
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012590442	0	56	0.0	-76.37	406.32	7.09	-69.28
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012590443	0	56	0.0	-77.00	401.15	6.95	-70.05
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C1	REAL300012590444	0	57	0.0	-85.67	407.50	7.01	-78.66
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012590445	0	66	0.0	-78.83	462.44	6.73	-72.10
CC(C)C[C@H](NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590446	0	61	0.0	-72.78	433.88	6.55	-66.23
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012590447	0	63	0.0	-73.61	445.20	5.30	-68.31
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012590448	0	59	0.0	-73.56	430.49	7.18	-66.38
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012590449	0	59	0.0	-77.85	426.17	6.57	-71.28
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012590450	0	58	0.0	-71.04	439.32	5.45	-65.59
CC(C)CCCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590451	0	67	0.0	-78.10	476.99	8.14	-69.96
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012590452	0	63	0.0	-76.63	450.75	5.41	-71.22
CSCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590453	0	56	0.0	-69.79	417.97	5.69	-64.10
COC[C@H](NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590454	0	56	0.0	-78.79	405.93	3.25	-75.54
CC[C@H](NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590455	0	55	0.0	-77.07	393.73	5.04	-72.03
CCC(C)CC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590456	0	64	0.0	-78.66	451.59	7.10	-71.56
C=CCCCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590457	0	62	0.0	-78.26	450.98	7.35	-70.91
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012590458	0	57	0.0	-84.35	404.22	7.94	-76.41
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012590459	0	62	0.0	-75.94	438.52	7.87	-68.07
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012590460	0	56	0.0	-86.40	394.69	6.85	-79.55
CCCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590461	0	58	0.0	-77.71	416.43	6.07	-71.64
CC(C)[C@@H](NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590462	0	58	0.0	-71.22	406.01	5.43	-65.79
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012590463	0	60	0.0	-91.32	415.26	8.51	-82.81
CCN(C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(C)(C)C(=O)[O-]	REAL300012590464	0	61	0.0	-77.30	419.66	7.83	-69.47
CCCN(C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(C)C(=O)[O-]	REAL300012590465	0	61	0.0	-64.07	425.23	7.84	-56.23
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012590466	0	55	0.0	-71.32	407.32	7.56	-63.76
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012590467	0	55	0.0	-71.32	407.32	7.56	-63.76
CN(C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(C)(C)C(=O)[O-]	REAL300012590468	0	58	0.0	-76.62	399.70	6.94	-69.68
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012590469	0	56	0.0	-85.26	393.30	6.94	-78.32
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012590470	0	57	0.0	-88.25	405.92	3.48	-84.77
CCC[C@@H](NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590471	0	58	0.0	-71.08	415.82	5.85	-65.23
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012590472	0	59	0.0	-79.05	431.11	7.41	-71.64
C=CCCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590473	0	59	0.0	-77.77	429.24	6.63	-71.14
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012590474	0	58	0.0	-74.26	439.27	5.10	-69.16
CN1CC(C(=O)[O-])N(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)CC1=O	REAL300012590475	0	60	0.0	-76.29	421.36	6.21	-70.08
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012590476	0	59	0.0	-78.60	410.86	7.61	-70.99
CC(C)[C@H](NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590477	0	58	0.0	-77.09	405.69	5.33	-71.76
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012590478	0	59	0.0	-78.40	430.09	7.12	-71.28
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012590479	0	62	0.0	-77.22	440.17	6.45	-70.77
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590480	0	55	0.0	-72.18	384.52	6.02	-66.16
CCC[C@H](NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590481	0	58	0.0	-77.22	415.23	5.80	-71.42
CCN(C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(C)C(=O)[O-]	REAL300012590482	0	58	0.0	-66.82	401.76	6.76	-60.06
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012590483	0	62	0.0	-65.47	428.82	8.40	-57.07
CC(CN(C)C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590484	0	58	0.0	-74.55	406.40	6.74	-67.81
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590485	0	61	0.0	-73.48	426.41	6.21	-67.27
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590486	0	58	0.0	-73.14	404.95	7.17	-65.97
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012590487	0	60	0.0	-79.30	427.95	3.02	-76.28
CC1CCC(NC(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)(C(=O)[O-])C1	REAL300012590488	0	62	0.0	-77.48	430.63	6.76	-70.72
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012590489	0	65	0.0	-84.96	440.71	7.71	-77.25
COCCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590490	0	59	0.0	-77.71	428.60	4.37	-73.34
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012590491	0	62	0.0	-79.25	432.11	7.44	-71.81
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012590492	0	59	0.0	-73.00	416.02	6.37	-66.63
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012590493	0	57	0.0	-84.97	404.46	3.54	-81.43
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012590494	0	60	0.0	-70.25	421.79	3.96	-66.29
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012590495	0	60	0.0	-90.06	415.02	8.09	-81.97
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012590496	0	58	0.0	-84.23	407.48	5.82	-78.41
CC1CCC(C(=O)[O-])N(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C1	REAL300012590497	0	62	0.0	-87.83	425.56	8.81	-79.02
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012590498	0	66	0.0	-71.08	462.54	8.89	-62.19
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012590499	0	59	0.0	-72.56	414.69	5.91	-66.65
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012590500	0	65	0.0	-73.64	448.29	7.23	-66.41
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012590501	0	59	0.0	-72.56	414.69	5.91	-66.65
CC1CCN(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C1C(=O)[O-]	REAL300012590502	0	59	0.0	-87.20	410.11	7.32	-79.88
C=CCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590503	0	56	0.0	-71.83	408.49	5.70	-66.13
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012590504	0	66	0.0	-71.12	466.55	6.82	-64.30
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012590505	0	66	0.0	-67.13	454.97	9.35	-57.78
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012590506	0	66	0.0	-83.67	444.32	5.94	-77.73
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012590507	0	60	0.0	-52.94	416.18	7.94	-45.00
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012590508	0	66	0.0	-71.08	462.54	8.89	-62.19
COC1CC(NC(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)(C(=O)[O-])C1	REAL300012590509	0	60	0.0	-80.43	429.16	4.70	-75.73
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012590510	0	56	0.0	-81.55	404.73	5.99	-75.56
CO[C@H]1C[C@](NC(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)(C(=O)[O-])C1	REAL300012590511	0	60	0.0	-81.87	427.99	4.99	-76.88
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590512	0	62	0.0	-87.19	426.56	8.80	-78.39
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012590513	0	55	0.0	-67.12	411.11	5.94	-61.18
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012590514	0	63	0.0	-80.94	448.74	5.33	-75.61
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012590515	0	54	0.0	-72.30	386.51	2.78	-69.52
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012590516	0	59	0.0	-80.57	444.03	7.11	-73.46
CC(C)C(C)(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590517	0	61	0.0	-75.07	416.04	6.31	-68.76
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012590518	0	57	0.0	-88.82	400.64	8.33	-80.49
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012590519	0	60	0.0	-81.10	417.08	7.83	-73.27
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012590520	0	68	0.0	-73.14	475.50	8.45	-64.69
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012590521	0	66	0.0	-73.22	456.35	7.88	-65.34
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012590522	0	68	0.0	-71.88	474.69	8.30	-63.58
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012590523	0	68	0.0	-73.16	475.50	8.46	-64.70
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012590524	0	66	0.0	-52.34	455.08	8.88	-43.46
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012590525	0	66	0.0	-82.00	451.07	8.70	-73.30
C=CCSCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590526	0	60	0.0	-70.50	452.92	7.12	-63.38
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590527	0	61	0.0	-74.62	419.90	8.05	-66.57
COC1(C(NC(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C(=O)[O-])CCC1	REAL300012590528	0	63	0.0	-74.92	442.15	4.70	-70.22
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012590529	0	59	0.0	-81.88	427.69	6.57	-75.31
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012590531	0	56	0.0	-77.00	401.15	6.95	-70.05
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012590532	0	58	0.0	-65.83	409.40	7.73	-58.10
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012590533	0	62	0.0	-86.75	425.64	7.88	-78.87
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012590534	0	66	0.0	-88.11	450.15	9.69	-78.42
CC(C)CCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590535	0	64	0.0	-78.30	455.50	7.37	-70.93
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012590536	0	63	0.0	-52.63	440.20	8.42	-44.21
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012590537	0	63	0.0	-80.94	448.74	5.33	-75.61
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C1	REAL300012590538	0	60	0.0	-79.88	438.25	8.13	-71.75
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012590539	0	63	0.0	-80.07	430.52	8.12	-71.95
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012590540	0	60	0.0	-85.32	417.05	6.97	-78.35
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012590541	0	63	0.0	-77.58	438.31	7.36	-70.22
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012590542	0	62	0.0	-72.28	430.72	6.61	-65.67
CO[C@H](C)[C@H](NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590543	0	59	0.0	-78.87	424.08	4.26	-74.61
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590544	0	59	0.0	-86.28	418.18	6.99	-79.29
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012590545	0	62	0.0	-66.44	451.48	9.84	-56.60
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012590546	0	62	0.0	-52.58	433.14	7.72	-44.86
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012590547	0	59	0.0	-83.66	415.49	8.03	-75.63
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012590548	0	56	0.0	-87.70	404.99	7.06	-80.64
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012590549	0	59	0.0	-72.46	443.60	7.19	-65.27
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012590550	0	59	0.0	-72.56	423.06	7.84	-64.72
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012590551	0	59	0.0	-72.46	443.60	7.19	-65.27
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012590552	0	63	0.0	-81.81	432.68	8.07	-73.74
COCCCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590553	0	62	0.0	-76.60	450.10	5.14	-71.46
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590554	0	61	0.0	-66.82	427.53	7.93	-58.89
CCOCC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012590555	0	59	0.0	-73.29	428.40	4.45	-68.84
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012590556	0	64	0.0	-79.26	445.48	7.46	-71.80
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012590557	0	63	0.0	-74.64	445.93	5.80	-68.84
C[C@H]1OCCN(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)[C@@H]1C(=O)[O-]	REAL300012590558	0	60	0.0	-84.23	416.08	6.38	-77.85
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012590559	0	56	0.0	-77.81	415.79	5.81	-72.00
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012590560	0	59	0.0	-67.08	433.15	7.98	-59.10
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300012590561	0	55	0.0	-71.81	385.69	6.20	-65.61
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C1	REAL300012590562	0	63	0.0	-78.09	448.22	7.19	-70.90
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300012590563	0	59	0.0	-64.11	417.82	8.78	-55.33
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300012590563	1	59	0.0	-67.02	411.59	8.66	-58.36
C=CCOCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590564	0	58	0.0	-68.24	426.73	7.22	-61.02
C=CCOCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590564	1	58	0.0	-65.86	419.36	7.21	-58.65
C=CC(C)C(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590565	0	57	0.0	-67.18	405.04	8.30	-58.88
C=CC(C)C(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590565	1	57	0.0	-65.78	404.41	8.52	-57.26
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012590566	0	61	0.0	-69.64	424.18	7.24	-62.40
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012590566	1	61	0.0	-68.09	417.36	7.17	-60.92
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012590567	0	57	0.0	-61.73	429.14	9.58	-52.15
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012590567	1	57	0.0	-61.42	421.53	9.65	-51.77
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(OC)CC2C(=O)[O-])C1	REAL300012590568	0	61	0.0	-75.75	422.25	9.32	-66.43
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(OC)CC2C(=O)[O-])C1	REAL300012590568	1	61	0.0	-74.77	414.91	9.28	-65.49
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012590569	0	61	0.0	-63.28	430.23	7.46	-55.82
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012590569	1	61	0.0	-63.52	417.34	7.19	-56.33
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C)CC2C(=O)[O-])C1	REAL300012590570	0	60	0.0	-75.15	410.68	10.92	-64.23
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C)CC2C(=O)[O-])C1	REAL300012590570	1	60	0.0	-74.53	403.35	10.94	-63.59
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)C1	REAL300012590571	0	60	0.0	-63.74	442.88	10.24	-53.50
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)C1	REAL300012590571	1	60	0.0	-64.23	435.76	10.14	-54.09
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C1	REAL300012590572	0	63	0.0	-65.42	459.23	10.78	-54.64
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C1	REAL300012590572	1	63	0.0	-66.22	451.86	10.76	-55.46
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C1	REAL300012590573	0	63	0.0	-65.56	454.83	10.66	-54.90
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C1	REAL300012590573	1	63	0.0	-66.26	447.46	10.63	-55.63
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C1	REAL300012590574	0	63	0.0	-66.79	447.09	10.61	-56.18
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C1	REAL300012590574	1	63	0.0	-66.98	439.79	10.56	-56.42
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1	REAL300012590575	0	56	0.0	-50.76	394.47	9.74	-41.02
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1	REAL300012590575	1	56	0.0	-51.39	392.33	9.93	-41.46
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C(C)C(=O)[O-])C2CCC2)C1	REAL300012590576	0	60	0.0	-52.76	413.25	10.43	-42.33
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C(C)C(=O)[O-])C2CCC2)C1	REAL300012590576	1	60	0.0	-50.36	405.87	10.41	-39.95
CCCN(C(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(COC)C(=O)[O-]	REAL300012590577	0	63	0.0	-66.28	442.41	10.87	-55.41
CCCN(C(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(COC)C(=O)[O-]	REAL300012590577	1	63	0.0	-70.02	433.99	10.96	-59.06
CCCN(C(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(CC)C(=O)[O-]	REAL300012590578	0	62	0.0	-64.54	426.15	10.92	-53.62
CCCN(C(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(CC)C(=O)[O-]	REAL300012590578	1	62	0.0	-65.07	419.34	10.97	-54.10
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C(C)C)C1	REAL300012590579	0	56	0.0	-62.69	395.40	8.00	-54.69
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C(C)C)C1	REAL300012590579	1	56	0.0	-63.84	384.33	7.78	-56.06
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012590580	0	57	0.0	-75.33	389.84	10.35	-64.98
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012590580	1	57	0.0	-76.01	383.08	10.57	-65.44
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012590581	0	57	0.0	-63.74	433.01	9.97	-53.77
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012590581	1	57	0.0	-63.56	425.51	10.04	-53.52
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012590582	0	55	0.0	-73.69	389.89	10.31	-63.38
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012590582	1	55	0.0	-74.29	383.30	10.51	-63.78
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012590583	0	60	0.0	-71.09	409.61	9.59	-61.50
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012590583	1	60	0.0	-67.83	402.40	9.58	-58.25
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC2C(=O)[O-])C1	REAL300012590584	0	54	0.0	-69.85	378.99	9.29	-60.56
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC2C(=O)[O-])C1	REAL300012590584	1	54	0.0	-72.88	371.64	9.28	-63.60
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012590585	0	57	0.0	-70.70	395.07	8.52	-62.18
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012590585	1	57	0.0	-67.87	387.89	8.49	-59.38
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012590586	0	63	0.0	-72.18	415.44	10.28	-61.90
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012590586	1	63	0.0	-68.80	408.02	10.24	-58.56
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012590587	0	60	0.0	-68.87	438.52	10.39	-58.48
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012590587	1	60	0.0	-68.56	431.26	10.38	-58.18
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012590588	0	60	0.0	-44.53	431.13	11.92	-32.61
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012590588	1	60	0.0	-46.71	423.68	11.88	-34.83
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590589	0	57	0.0	-66.90	416.43	9.45	-57.45
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590589	1	57	0.0	-65.57	409.05	9.45	-56.12
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590590	0	57	0.0	-64.76	416.23	9.46	-55.30
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590590	1	57	0.0	-67.04	408.99	9.43	-57.61
CCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590591	0	53	0.0	-63.77	380.26	7.38	-56.39
CCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590591	1	53	0.0	-64.65	372.89	7.37	-57.28
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C(C)C)C1	REAL300012590592	0	56	0.0	-62.69	395.40	8.00	-54.69
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C(C)C)C1	REAL300012590592	1	56	0.0	-63.84	384.33	7.78	-56.06
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012590593	0	60	0.0	-68.87	438.52	10.39	-58.48
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012590593	1	60	0.0	-68.56	431.26	10.38	-58.18
CCC(C)C(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590594	0	59	0.0	-66.78	410.19	8.42	-58.36
CCC(C)C(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590594	1	59	0.0	-63.85	406.00	8.61	-55.24
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012590595	0	57	0.0	-75.33	389.84	10.35	-64.98
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012590595	1	57	0.0	-76.01	383.08	10.57	-65.44
CCCC(C)(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590596	0	59	0.0	-66.26	405.89	8.51	-57.75
CCCC(C)(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590596	1	59	0.0	-66.30	398.52	8.49	-57.81
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C(C)C)C1	REAL300012590597	0	56	0.0	-48.09	391.20	9.63	-38.46
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C(C)C)C1	REAL300012590597	1	56	0.0	-51.87	382.71	9.58	-42.29
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012590598	0	54	0.0	-48.66	381.41	9.77	-38.89
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012590598	1	54	0.0	-52.86	374.08	9.70	-43.16
C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1	REAL300012590599	0	54	0.0	-45.20	386.02	9.54	-35.66
C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1	REAL300012590599	1	54	0.0	-47.42	380.39	9.56	-37.86
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(C)C)C1	REAL300012590600	0	59	0.0	-50.56	414.09	10.26	-40.30
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(C)C)C1	REAL300012590600	1	59	0.0	-51.34	406.98	10.44	-40.90
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012590601	0	61	0.0	-77.04	428.32	12.54	-64.50
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012590601	1	61	0.0	-71.91	422.62	12.25	-59.66
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(C)C(=O)[O-])C1	REAL300012590602	0	53	0.0	-54.54	371.00	6.76	-47.78
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(C)C(=O)[O-])C1	REAL300012590602	1	53	0.0	-55.05	363.63	6.74	-48.31
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012590603	0	57	0.0	-63.90	393.83	8.52	-55.38
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012590603	1	57	0.0	-67.02	386.45	8.51	-58.51
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012590604	0	54	0.0	-61.95	407.43	8.57	-53.38
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012590604	1	54	0.0	-65.18	400.66	8.53	-56.65
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012590605	0	60	0.0	-71.09	409.61	9.59	-61.50
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012590605	1	60	0.0	-67.83	402.40	9.58	-58.25
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C(C)C)C1	REAL300012590606	0	56	0.0	-48.09	391.20	9.63	-38.46
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C(C)C)C1	REAL300012590606	1	56	0.0	-51.87	382.71	9.58	-42.29
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1	REAL300012590607	0	56	0.0	-50.76	394.47	9.74	-41.02
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1	REAL300012590607	1	56	0.0	-51.39	392.33	9.93	-41.46
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC)CC(=O)[O-])C1	REAL300012590608	0	53	0.0	-66.60	378.02	9.18	-57.42
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC)CC(=O)[O-])C1	REAL300012590608	1	53	0.0	-64.20	370.79	9.16	-55.04
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590609	0	59	0.0	-64.41	411.49	8.35	-56.06
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590609	1	59	0.0	-66.15	402.46	8.31	-57.84
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012590610	0	57	0.0	-70.70	395.07	8.52	-62.18
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012590610	1	57	0.0	-67.87	387.89	8.49	-59.38
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012590611	0	60	0.0	-48.76	437.53	11.98	-36.78
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012590611	1	60	0.0	-49.22	436.22	12.23	-36.99
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(CC)C(=O)[O-])C1	REAL300012590612	0	56	0.0	-66.12	384.24	7.75	-58.37
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(CC)C(=O)[O-])C1	REAL300012590612	1	56	0.0	-66.02	377.02	7.74	-58.28
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012590613	0	61	0.0	-68.57	435.87	10.72	-57.85
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012590613	1	61	0.0	-67.92	428.38	10.76	-57.16
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012590614	0	57	0.0	-67.45	427.30	9.63	-57.82
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012590614	1	57	0.0	-65.72	419.89	9.60	-56.12
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590615	0	60	0.0	-66.08	423.99	10.26	-55.82
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590615	1	60	0.0	-67.68	416.81	10.21	-57.47
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC)CC(=O)[O-])C1	REAL300012590616	0	53	0.0	-66.60	378.02	9.18	-57.42
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC)CC(=O)[O-])C1	REAL300012590616	1	53	0.0	-64.20	370.79	9.16	-55.04
CCCCCCC(C)(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590617	0	68	0.0	-66.59	470.23	10.84	-55.75
CCCCCCC(C)(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590617	1	68	0.0	-64.09	463.01	10.83	-53.26
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012590618	0	63	0.0	-67.33	447.09	12.31	-55.02
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012590618	1	63	0.0	-63.83	440.38	12.40	-51.43
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC2)C1	REAL300012590619	0	51	0.0	-71.66	364.57	7.59	-64.07
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC2)C1	REAL300012590619	1	51	0.0	-70.19	357.19	7.56	-62.63
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012590620	0	57	0.0	-63.74	433.01	9.97	-53.77
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012590620	1	57	0.0	-63.56	425.51	10.04	-53.52
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012590621	0	55	0.0	-73.13	381.51	7.90	-65.23
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012590621	1	55	0.0	-72.05	373.56	7.87	-64.18
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012590622	0	63	0.0	-73.43	419.11	10.96	-62.47
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012590622	1	63	0.0	-69.66	411.65	10.87	-58.79
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012590623	0	54	0.0	-62.34	387.14	7.86	-54.48
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012590623	1	54	0.0	-65.69	379.27	7.87	-57.82
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012590624	0	63	0.0	-52.04	459.59	12.98	-39.06
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012590624	1	63	0.0	-48.33	447.01	12.74	-35.59
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590625	0	60	0.0	-64.88	422.99	11.01	-53.87
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590625	1	60	0.0	-62.74	416.99	11.08	-51.66
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CCOC)CC(=O)[O-])C1	REAL300012590626	0	57	0.0	-51.64	409.56	8.72	-42.92
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CCOC)CC(=O)[O-])C1	REAL300012590626	1	57	0.0	-51.89	402.16	8.34	-43.55
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012590627	0	61	0.0	-71.40	431.00	10.53	-60.87
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012590627	1	61	0.0	-69.26	423.64	10.52	-58.74
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012590628	0	54	0.0	-73.95	374.11	8.86	-65.09
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012590628	1	54	0.0	-70.83	379.42	8.99	-61.84
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012590629	0	57	0.0	-74.64	382.75	10.27	-64.37
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012590629	1	57	0.0	-74.42	389.45	10.30	-64.12
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H](C)C(=O)[O-])C1	REAL300012590630	0	53	0.0	-62.47	371.12	8.43	-54.04
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H](C)C(=O)[O-])C1	REAL300012590630	1	53	0.0	-60.84	363.91	8.41	-52.43
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012590631	0	54	0.0	-73.08	371.95	9.28	-63.80
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012590631	1	54	0.0	-72.88	371.62	9.25	-63.63
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012590632	0	54	0.0	-71.42	381.29	8.10	-63.32
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012590632	1	54	0.0	-69.31	373.74	8.08	-61.23
C=CCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590633	0	54	0.0	-62.52	393.33	7.90	-54.62
C=CCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590633	1	54	0.0	-65.96	386.18	7.80	-58.16
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012590634	0	57	0.0	-69.51	396.12	9.83	-59.68
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012590634	1	57	0.0	-73.02	388.75	9.81	-63.21
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012590635	0	60	0.0	-70.62	408.05	11.38	-59.24
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012590635	1	60	0.0	-74.06	395.87	10.83	-63.23
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012590636	0	54	0.0	-62.34	387.14	7.86	-54.48
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012590636	1	54	0.0	-65.69	379.27	7.87	-57.82
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C(C)C(=O)[O-])C1	REAL300012590637	0	53	0.0	-60.14	370.21	8.39	-51.75
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C(C)C(=O)[O-])C1	REAL300012590637	1	53	0.0	-63.08	362.97	8.42	-54.66
CCCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590638	0	59	0.0	-63.55	423.24	8.93	-54.62
CCCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590638	1	59	0.0	-66.16	415.65	8.97	-57.19
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012590639	0	63	0.0	-52.04	459.59	12.98	-39.06
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012590639	1	63	0.0	-48.33	447.01	12.74	-35.59
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012590640	0	57	0.0	-69.73	388.94	9.80	-59.93
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012590640	1	57	0.0	-73.41	395.85	9.85	-63.56
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012590641	0	60	0.0	-44.75	414.38	10.75	-34.00
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012590641	1	60	0.0	-47.12	407.20	10.74	-36.38
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(COC)C(=O)[O-])C1	REAL300012590642	0	54	0.0	-67.47	391.98	5.67	-61.80
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(COC)C(=O)[O-])C1	REAL300012590642	1	54	0.0	-67.25	384.26	5.59	-61.66
CCCCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590643	0	62	0.0	-62.91	444.50	9.77	-53.14
CCCCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590643	1	62	0.0	-64.39	437.39	9.69	-54.70
CCC1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCCC(CC)C2)(C(=O)[O-])CC1	REAL300012590644	0	66	0.0	-67.06	448.83	10.85	-56.21
CCC1CCC(NC(=O)NCC(C)(C)[N@H+]2CCCC(CC)C2)(C(=O)[O-])CC1	REAL300012590644	1	66	0.0	-67.79	441.44	10.84	-56.95
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012590645	0	61	0.0	-50.93	422.98	9.10	-41.83
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012590645	1	61	0.0	-47.71	415.64	9.06	-38.65
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012590646	0	60	0.0	-74.41	407.59	10.51	-63.90
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012590646	1	60	0.0	-73.45	398.36	10.16	-63.29
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C(C)C(=O)[O-])C2CC2)C1	REAL300012590647	0	57	0.0	-52.80	397.69	10.03	-42.77
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C(C)C(=O)[O-])C2CC2)C1	REAL300012590647	1	57	0.0	-49.73	389.31	9.78	-39.95
CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C1CC1	REAL300012590648	0	60	0.0	-54.59	417.38	10.97	-43.62
CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C1CC1	REAL300012590648	1	60	0.0	-50.13	409.76	10.85	-39.28
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012590649	0	57	0.0	-68.88	429.05	9.94	-58.94
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012590649	1	57	0.0	-68.25	419.15	9.84	-58.41
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012590650	0	57	0.0	-72.84	420.91	9.56	-63.28
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012590650	1	57	0.0	-73.00	413.47	9.52	-63.48
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012590651	0	61	0.0	-54.12	431.75	11.80	-42.32
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012590651	1	61	0.0	-52.74	424.37	11.77	-40.97
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012590652	0	66	0.0	-67.83	460.35	10.61	-57.22
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012590652	1	66	0.0	-64.53	453.02	10.65	-53.88
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012590653	0	63	0.0	-46.99	450.74	12.66	-34.33
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012590653	1	63	0.0	-46.76	437.01	12.31	-34.45
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C1	REAL300012590654	0	60	0.0	-63.98	437.04	10.16	-53.82
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C1	REAL300012590654	1	60	0.0	-67.00	430.45	10.12	-56.88
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012590655	0	53	0.0	-57.49	395.37	8.11	-49.38
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012590655	1	53	0.0	-59.10	388.82	8.07	-51.03
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012590656	0	58	0.0	-67.23	407.30	9.28	-57.95
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012590656	1	58	0.0	-64.40	400.09	9.28	-55.12
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(COC)C(=O)[O-])C1	REAL300012590657	0	57	0.0	-70.57	402.65	7.03	-63.54
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(COC)C(=O)[O-])C1	REAL300012590657	1	57	0.0	-68.13	395.27	7.02	-61.11
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1	REAL300012590658	0	60	0.0	-63.82	422.64	8.69	-55.13
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1	REAL300012590658	1	60	0.0	-64.10	414.64	8.86	-55.24
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(C)C)C1	REAL300012590659	0	59	0.0	-50.56	414.09	10.26	-40.30
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(C)C)C1	REAL300012590659	1	59	0.0	-51.34	406.98	10.44	-40.90
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012590660	0	54	0.0	-48.66	381.41	9.77	-38.89
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012590660	1	54	0.0	-52.86	374.08	9.70	-43.16
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012590661	0	56	0.0	-47.79	412.58	10.12	-37.67
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012590661	1	56	0.0	-51.97	410.46	10.31	-41.66
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012590662	0	55	0.0	-65.79	385.91	5.88	-59.91
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012590662	1	55	0.0	-64.10	378.69	5.89	-58.21
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012590663	0	63	0.0	-67.94	433.17	9.66	-58.28
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012590663	1	63	0.0	-65.35	425.95	9.64	-55.71
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012590664	0	64	0.0	-64.13	449.78	10.09	-54.04
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012590664	1	64	0.0	-62.38	442.41	10.07	-52.31
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012590665	0	58	0.0	-70.41	401.03	7.10	-63.31
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012590665	1	58	0.0	-70.22	393.87	7.10	-63.12
C=CCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590666	0	57	0.0	-66.57	414.56	8.71	-57.86
C=CCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590666	1	57	0.0	-66.11	407.20	8.69	-57.42
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CF)C(=O)[O-])C1	REAL300012590667	0	50	0.0	-53.13	361.88	6.37	-46.76
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CF)C(=O)[O-])C1	REAL300012590667	1	50	0.0	-54.13	354.65	6.35	-47.78
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C1	REAL300012590668	0	63	0.0	-52.46	441.84	12.06	-40.40
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C1	REAL300012590668	1	63	0.0	-36.22	433.67	13.20	-23.02
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C(C)C(=O)[O-])C1	REAL300012590669	0	53	0.0	-60.14	370.21	8.39	-51.75
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C(C)C(=O)[O-])C1	REAL300012590669	1	53	0.0	-63.08	362.97	8.42	-54.66
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC)(CC)C(=O)[O-])C1	REAL300012590670	0	59	0.0	-64.11	401.06	8.65	-55.46
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC)(CC)C(=O)[O-])C1	REAL300012590670	1	59	0.0	-67.48	393.69	8.63	-58.85
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)C1	REAL300012590671	0	61	0.0	-64.75	445.72	8.76	-55.99
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)C1	REAL300012590671	1	61	0.0	-66.98	438.51	8.74	-58.24
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1	REAL300012590672	0	59	0.0	-48.51	411.62	10.60	-37.91
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1	REAL300012590672	1	59	0.0	-45.61	404.22	10.57	-35.04
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC)(COC)C(=O)[O-])C1	REAL300012590673	0	60	0.0	-68.71	419.32	7.94	-60.77
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC)(COC)C(=O)[O-])C1	REAL300012590673	1	60	0.0	-69.56	411.71	7.94	-61.62
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C(COC(C)C)C(=O)[O-])C1	REAL300012590674	0	63	0.0	-64.24	443.52	9.54	-54.70
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C(COC(C)C)C(=O)[O-])C1	REAL300012590674	1	63	0.0	-62.72	435.54	9.42	-53.30
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012590675	0	57	0.0	-66.14	411.62	9.00	-57.14
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012590675	1	57	0.0	-64.43	405.01	8.80	-55.63
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CCOC)C(=O)[O-])C1	REAL300012590676	0	57	0.0	-66.67	413.68	6.51	-60.16
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CCOC)C(=O)[O-])C1	REAL300012590676	1	57	0.0	-66.62	406.32	6.49	-60.13
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C(CC(C)C)C(=O)[O-])C1	REAL300012590677	0	62	0.0	-65.63	429.39	10.82	-54.81
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C(CC(C)C)C(=O)[O-])C1	REAL300012590677	1	62	0.0	-64.37	421.17	10.69	-53.68
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012590678	0	53	0.0	-66.44	392.36	7.74	-58.70
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012590678	1	53	0.0	-61.67	383.50	7.89	-53.78
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1	REAL300012590679	0	63	0.0	-71.07	431.11	11.53	-59.54
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1	REAL300012590679	1	63	0.0	-73.63	426.49	11.86	-61.77
CCCN(C(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(C)C(=O)[O-]	REAL300012590680	0	59	0.0	-38.22	412.65	10.10	-28.12
CCCN(C(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(C)C(=O)[O-]	REAL300012590680	1	59	0.0	-51.06	402.45	10.00	-41.06
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012590681	0	63	0.0	-38.50	444.70	13.01	-25.49
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012590681	1	63	0.0	-36.26	436.67	13.15	-23.11
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590682	0	63	0.0	-65.84	441.12	11.11	-54.73
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590682	1	63	0.0	-66.60	433.78	11.11	-55.49
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)C1	REAL300012590683	0	67	0.0	-69.75	469.29	8.99	-60.76
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)C1	REAL300012590683	1	67	0.0	-64.73	456.02	8.69	-56.04
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012590684	0	53	0.0	-62.24	386.60	7.59	-54.65
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012590684	1	53	0.0	-65.87	379.48	7.51	-58.36
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2(OC)CCC2)C(=O)[O-])C1	REAL300012590685	0	64	0.0	-66.67	449.87	8.71	-57.96
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2(OC)CCC2)C(=O)[O-])C1	REAL300012590685	1	64	0.0	-67.99	442.63	8.80	-59.19
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012590686	0	61	0.0	-50.93	422.98	9.10	-41.83
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012590686	1	61	0.0	-47.71	415.64	9.06	-38.65
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012590687	0	63	0.0	-50.59	431.93	11.47	-39.12
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012590687	1	63	0.0	-50.93	424.54	11.45	-39.48
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300012590688	0	63	0.0	-68.83	423.57	9.99	-58.84
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300012590688	1	63	0.0	-71.04	416.18	9.95	-61.09
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300012590689	0	61	0.0	-69.03	445.67	8.83	-60.20
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300012590689	1	61	0.0	-69.15	438.30	8.81	-60.34
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012590690	0	56	0.0	-63.41	390.83	7.89	-55.52
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012590690	1	56	0.0	-60.90	383.61	7.88	-53.02
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012590691	0	58	0.0	-54.76	413.21	9.94	-44.82
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012590691	1	58	0.0	-53.56	405.83	9.92	-43.64
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012590692	0	54	0.0	-66.07	392.75	9.16	-56.91
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012590692	1	54	0.0	-65.09	392.39	9.16	-55.93
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300012590693	0	61	0.0	-66.86	445.66	8.83	-58.03
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300012590693	1	61	0.0	-69.15	438.30	8.81	-60.34
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1	REAL300012590694	0	53	0.0	-60.27	370.05	8.37	-51.90
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1	REAL300012590694	1	53	0.0	-63.05	362.84	8.36	-54.69
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])C1	REAL300012590695	0	63	0.0	-75.02	445.29	11.29	-63.73
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])C1	REAL300012590695	1	63	0.0	-74.03	437.87	11.19	-62.84
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012590696	0	66	0.0	-68.64	437.40	10.49	-58.15
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012590696	1	66	0.0	-69.26	430.32	10.46	-58.80
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012590697	0	55	0.0	-77.05	384.45	9.99	-67.06
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012590697	1	55	0.0	-75.77	376.99	9.91	-65.86
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(OC)CC2(C)C(=O)[O-])C1	REAL300012590698	0	61	0.0	-74.10	429.36	8.81	-65.29
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(OC)CC2(C)C(=O)[O-])C1	REAL300012590698	1	61	0.0	-69.88	421.49	8.86	-61.02
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012590699	0	64	0.0	-63.02	447.42	8.89	-54.13
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012590699	1	64	0.0	-64.96	439.81	8.95	-56.01
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012590700	0	59	0.0	-64.80	411.05	8.50	-56.30
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012590700	1	59	0.0	-67.14	403.01	8.56	-58.58
C=C(Cl)CC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590701	0	54	0.0	-63.93	408.53	8.45	-55.48
C=C(Cl)CC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590701	1	54	0.0	-67.55	402.10	8.43	-59.12
C=C(C)CC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590702	0	57	0.0	-63.10	413.86	8.65	-54.45
C=C(C)CC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590702	1	57	0.0	-66.82	406.82	8.57	-58.25
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012590703	0	58	0.0	-80.94	400.70	10.79	-70.15
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012590703	1	58	0.0	-80.45	393.70	10.72	-69.73
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012590704	0	54	0.0	-66.63	384.98	9.44	-57.19
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012590704	1	54	0.0	-66.85	391.63	9.47	-57.38
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012590705	0	54	0.0	-70.88	378.49	9.36	-61.52
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012590705	1	54	0.0	-71.45	385.11	9.39	-62.06
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]2CCCC(CC)C2)C1	REAL300012590706	0	55	0.0	-71.23	386.31	9.35	-61.88
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]2CCCC(CC)C2)C1	REAL300012590706	1	55	0.0	-73.56	392.89	9.37	-64.19
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012590707	0	64	0.0	-64.80	451.47	8.26	-56.54
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012590707	1	64	0.0	-68.68	444.34	8.18	-60.50
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300012590708	0	59	0.0	-64.11	417.82	8.78	-55.33
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300012590708	1	59	0.0	-67.02	411.59	8.66	-58.36
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012590709	0	61	0.0	-69.64	424.18	7.24	-62.40
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012590709	1	61	0.0	-68.09	417.36	7.17	-60.92
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590710	0	57	0.0	-64.76	416.23	9.46	-55.30
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590710	1	57	0.0	-67.04	408.99	9.43	-57.61
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012590711	0	57	0.0	-66.14	411.62	9.00	-57.14
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012590711	1	57	0.0	-64.43	405.01	8.80	-55.63
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012590712	0	56	0.0	-67.69	425.42	7.54	-60.15
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012590712	1	56	0.0	-65.02	417.87	7.55	-57.47
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CCCC(C)C)C(=O)[O-])C1	REAL300012590713	0	65	0.0	-62.99	462.07	10.29	-52.70
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CCCC(C)C)C(=O)[O-])C1	REAL300012590713	1	65	0.0	-64.45	454.95	10.21	-54.24
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012590714	0	61	0.0	-65.93	434.38	8.26	-57.67
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012590714	1	61	0.0	-63.43	426.78	8.30	-55.13
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CSC)C(=O)[O-])C1	REAL300012590715	0	54	0.0	-63.45	403.95	7.74	-55.71
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CSC)C(=O)[O-])C1	REAL300012590715	1	54	0.0	-63.42	396.36	7.78	-55.64
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](COC)C(=O)[O-])C1	REAL300012590716	0	54	0.0	-64.68	392.11	5.62	-59.06
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](COC)C(=O)[O-])C1	REAL300012590716	1	54	0.0	-67.71	384.75	5.61	-62.10
CC[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590717	0	53	0.0	-63.73	380.25	7.39	-56.34
CC[C@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590717	1	53	0.0	-66.21	372.64	7.43	-58.78
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012590718	0	60	0.0	-66.90	445.05	10.47	-56.43
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012590718	1	60	0.0	-63.96	437.48	10.51	-53.45
CCC(C)CC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590719	0	62	0.0	-67.65	437.22	9.32	-58.33
CCC(C)CC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590719	1	62	0.0	-67.40	429.45	9.33	-58.07
C=CCCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590720	0	60	0.0	-62.51	435.82	9.56	-52.95
C=CCCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590720	1	60	0.0	-65.52	428.46	9.53	-55.99
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012590721	0	60	0.0	-63.23	444.79	10.53	-52.70
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012590721	1	60	0.0	-66.66	437.66	10.45	-56.21
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012590722	0	55	0.0	-73.69	389.89	10.31	-63.38
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012590722	1	55	0.0	-74.29	383.30	10.51	-63.78
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590723	0	60	0.0	-66.08	423.99	10.26	-55.82
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590723	1	60	0.0	-67.68	416.81	10.21	-57.47
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012590724	0	54	0.0	-73.95	374.11	8.86	-65.09
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012590724	1	54	0.0	-70.83	379.42	8.99	-61.84
CCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590725	0	56	0.0	-63.64	401.75	8.16	-55.48
CCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590725	1	56	0.0	-66.57	394.39	8.13	-58.44
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C1	REAL300012590726	0	56	0.0	-65.87	395.37	8.00	-57.87
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C1	REAL300012590726	1	56	0.0	-64.83	385.00	7.69	-57.14
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012590727	0	58	0.0	-77.47	394.18	10.80	-66.67
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012590727	1	58	0.0	-78.66	393.20	10.78	-67.88
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC)C(C)(C)C(=O)[O-])C1	REAL300012590728	0	59	0.0	-70.29	404.79	10.15	-60.14
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC)C(C)(C)C(=O)[O-])C1	REAL300012590728	1	59	0.0	-67.43	397.56	10.12	-57.31
CCCN(C(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(C)C(=O)[O-]	REAL300012590729	0	59	0.0	-38.22	412.65	10.10	-28.12
CCCN(C(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(C)C(=O)[O-]	REAL300012590729	1	59	0.0	-51.06	402.45	10.00	-41.06
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012590730	0	53	0.0	-63.57	384.59	9.44	-54.13
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012590730	1	53	0.0	-60.21	385.40	9.67	-50.54
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012590731	0	53	0.0	-63.57	384.59	9.44	-54.13
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012590731	1	53	0.0	-60.21	385.40	9.67	-50.54
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012590732	0	56	0.0	-70.20	385.32	9.30	-60.90
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012590732	1	56	0.0	-67.53	378.12	9.24	-58.29
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012590733	0	54	0.0	-73.08	371.95	9.28	-63.80
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012590733	1	54	0.0	-72.88	371.62	9.25	-63.63
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012590734	0	66	0.0	-46.23	461.31	7.46	-38.77
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012590734	1	66	0.0	-49.32	459.16	7.67	-41.65
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012590735	0	55	0.0	-73.95	384.01	5.57	-68.38
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012590735	1	55	0.0	-73.01	390.65	5.61	-67.40
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])C1	REAL300012590736	0	61	0.0	-74.18	430.42	12.91	-61.27
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])C1	REAL300012590736	1	61	0.0	-46.14	425.92	12.29	-33.85
CCC[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590737	0	56	0.0	-66.62	401.75	8.15	-58.47
CCC[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590737	1	56	0.0	-63.86	394.15	8.20	-55.66
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590738	0	57	0.0	-66.90	416.43	9.45	-57.45
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590738	1	57	0.0	-65.57	409.05	9.45	-56.12
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012590739	0	62	0.0	-69.24	456.54	9.40	-59.84
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012590739	1	62	0.0	-69.04	449.17	9.40	-59.64
C=CCCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590740	0	57	0.0	-66.57	414.56	8.71	-57.86
C=CCCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590740	1	57	0.0	-66.11	407.20	8.69	-57.42
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012590741	0	56	0.0	-60.13	425.21	7.46	-52.67
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012590741	1	56	0.0	-67.74	417.88	7.38	-60.36
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012590742	0	57	0.0	-84.36	409.62	6.81	-77.55
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012590742	1	57	0.0	-81.79	402.16	6.84	-74.95
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012590743	0	58	0.0	-66.20	406.86	8.54	-57.66
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012590743	1	58	0.0	-66.85	400.00	8.63	-58.22
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012590744	0	57	0.0	-71.29	396.09	9.85	-61.44
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012590744	1	57	0.0	-70.34	388.72	9.82	-60.52
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C(C)C)C1	REAL300012590745	0	56	0.0	-63.94	392.94	7.71	-56.23
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C(C)C)C1	REAL300012590745	1	56	0.0	-67.02	389.92	7.93	-59.09
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590746	0	57	0.0	-64.72	416.38	9.45	-55.27
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012590746	1	57	0.0	-67.01	409.02	9.43	-57.58
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012590747	0	60	0.0	-69.37	425.77	8.80	-60.57
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012590747	1	60	0.0	-66.28	422.83	8.81	-57.47
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1	REAL300012590748	0	53	0.0	-60.27	370.05	8.37	-51.90
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1	REAL300012590748	1	53	0.0	-63.05	362.84	8.36	-54.69
CCC[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590749	0	56	0.0	-63.65	401.75	8.16	-55.49
CCC[C@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590749	1	56	0.0	-65.90	393.56	8.15	-57.75
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC)C(C)C(=O)[O-])C1	REAL300012590750	0	56	0.0	-65.69	391.30	9.93	-55.76
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC)C(C)C(=O)[O-])C1	REAL300012590750	1	56	0.0	-63.28	380.58	9.20	-54.08
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012590751	0	60	0.0	-44.75	414.38	10.75	-34.00
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012590751	1	60	0.0	-47.12	407.20	10.74	-36.38
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC(C)C(=O)[O-])C1	REAL300012590752	0	56	0.0	-68.25	391.32	8.86	-59.39
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC(C)C(=O)[O-])C1	REAL300012590752	1	56	0.0	-71.59	384.36	9.09	-62.50
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590753	0	59	0.0	-64.41	411.49	8.35	-56.06
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590753	1	59	0.0	-66.15	402.46	8.31	-57.84
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1	REAL300012590754	0	56	0.0	-61.23	390.52	9.36	-51.87
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1	REAL300012590754	1	56	0.0	-63.76	383.26	9.50	-54.26
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012590755	0	58	0.0	-68.65	413.51	5.38	-63.27
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012590755	1	58	0.0	-73.97	404.26	5.26	-68.71
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300012590756	0	66	0.0	-63.95	462.39	8.62	-55.33
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300012590756	1	66	0.0	-68.61	456.89	8.64	-59.97
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC(C)C2)C1	REAL300012590757	0	60	0.0	-67.31	416.49	9.11	-58.20
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC(C)C2)C1	REAL300012590757	1	60	0.0	-70.95	407.95	9.06	-61.89
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012590758	0	63	0.0	-70.99	425.64	9.85	-61.14
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012590758	1	63	0.0	-70.60	418.45	9.81	-60.79
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CCOC)C(=O)[O-])C1	REAL300012590759	0	57	0.0	-66.67	413.68	6.51	-60.16
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CCOC)C(=O)[O-])C1	REAL300012590759	1	57	0.0	-66.62	406.32	6.49	-60.13
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012590760	0	63	0.0	-67.33	447.09	12.31	-55.02
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012590760	1	63	0.0	-63.83	440.38	12.40	-51.43
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012590761	0	60	0.0	-70.76	417.80	9.82	-60.94
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012590761	1	60	0.0	-69.91	410.08	9.77	-60.14
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012590762	0	57	0.0	-69.28	403.86	8.75	-60.53
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012590762	1	57	0.0	-67.22	401.61	8.50	-58.72
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300012590763	0	66	0.0	-67.90	463.30	8.73	-59.17
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300012590763	1	66	0.0	-64.90	456.73	8.65	-56.25
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012590764	0	55	0.0	-79.42	389.53	5.77	-73.65
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012590764	1	55	0.0	-76.09	389.29	5.81	-70.28
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012590765	0	58	0.0	-64.58	413.19	6.57	-58.01
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012590765	1	58	0.0	-66.07	400.83	6.26	-59.81
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012590766	0	58	0.0	-74.59	401.03	10.41	-64.18
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012590766	1	58	0.0	-77.58	393.49	10.39	-67.19
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012590767	0	56	0.0	-73.33	393.23	8.20	-65.13
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012590767	1	56	0.0	-73.06	385.89	8.11	-64.95
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(C)CCC2C(=O)[O-])C1	REAL300012590768	0	60	0.0	-77.38	406.77	11.52	-65.86
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(C)CCC2C(=O)[O-])C1	REAL300012590768	1	60	0.0	-76.47	399.33	11.44	-65.03
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012590769	0	63	0.0	-64.61	446.06	10.47	-54.14
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012590769	1	63	0.0	-65.47	448.05	10.79	-54.68
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012590770	0	64	0.0	-63.46	452.69	10.59	-52.87
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012590770	1	64	0.0	-66.95	445.61	10.51	-56.44
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012590771	0	57	0.0	-63.09	404.60	8.38	-54.71
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012590771	1	57	0.0	-66.32	396.94	8.35	-57.97
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012590772	0	63	0.0	-67.94	433.17	9.66	-58.28
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012590772	1	63	0.0	-65.35	425.95	9.64	-55.71
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012590773	0	57	0.0	-63.09	404.60	8.38	-54.71
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012590773	1	57	0.0	-66.32	396.94	8.35	-57.97
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C)C2C(=O)[O-])C1	REAL300012590774	0	57	0.0	-75.12	396.65	9.36	-65.76
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C)C2C(=O)[O-])C1	REAL300012590774	1	57	0.0	-71.94	392.96	9.54	-62.40
C=CCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590775	0	54	0.0	-62.52	393.33	7.90	-54.62
C=CCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590775	1	54	0.0	-65.96	386.18	7.80	-58.16
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012590776	0	64	0.0	-70.22	454.21	8.63	-61.59
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012590776	1	64	0.0	-68.26	447.09	8.54	-59.72
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012590777	0	64	0.0	-47.77	440.45	11.50	-36.27
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012590777	1	64	0.0	-41.77	439.73	11.52	-30.25
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012590778	0	64	0.0	-72.14	429.83	8.35	-63.79
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012590778	1	64	0.0	-68.54	422.89	8.37	-60.17
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012590779	0	58	0.0	-45.44	395.27	10.28	-35.16
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012590779	1	58	0.0	-40.04	401.67	10.33	-29.71
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012590780	0	64	0.0	-63.46	452.69	10.59	-52.87
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012590780	1	64	0.0	-66.95	445.61	10.51	-56.44
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012590781	0	60	0.0	-64.04	445.09	10.48	-53.56
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012590781	1	60	0.0	-70.66	437.67	10.45	-60.21
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(OC)C2)C1	REAL300012590782	0	58	0.0	-65.76	413.10	6.97	-58.79
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(OC)C2)C1	REAL300012590782	1	58	0.0	-71.74	407.20	7.03	-64.71
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012590783	0	54	0.0	-60.85	393.77	8.40	-52.45
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012590783	1	54	0.0	-67.66	382.70	8.09	-59.57
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)C1	REAL300012590784	0	58	0.0	-66.74	413.10	6.97	-59.77
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)C1	REAL300012590784	1	58	0.0	-64.75	412.45	6.99	-57.76
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012590785	0	57	0.0	-69.60	417.67	9.15	-60.45
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012590785	1	57	0.0	-60.59	413.34	8.87	-51.72
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC2(CC)C(=O)[O-])C1	REAL300012590786	0	60	0.0	-76.36	412.32	11.15	-65.21
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC2(CC)C(=O)[O-])C1	REAL300012590786	1	60	0.0	-75.89	401.93	11.05	-64.84
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012590787	0	53	0.0	-57.49	395.37	8.11	-49.38
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012590787	1	53	0.0	-59.10	388.82	8.07	-51.03
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012590788	0	61	0.0	-63.83	431.77	7.11	-56.72
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012590788	1	61	0.0	-66.91	428.16	7.44	-59.47
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012590789	0	52	0.0	-65.01	371.67	5.16	-59.85
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012590789	1	52	0.0	-63.48	364.67	5.13	-58.35
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012590790	0	57	0.0	-64.24	429.68	9.47	-54.77
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012590790	1	57	0.0	-67.70	422.89	9.51	-58.19
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C(C)C)C1	REAL300012590791	0	59	0.0	-64.07	401.12	8.44	-55.63
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C(C)C)C1	REAL300012590791	1	59	0.0	-64.32	391.94	8.36	-55.96
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012590792	0	55	0.0	-76.57	379.14	10.48	-66.09
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012590792	1	55	0.0	-74.94	384.62	10.48	-64.46
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012590793	0	58	0.0	-75.17	402.29	10.06	-65.11
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012590793	1	58	0.0	-72.81	401.83	9.90	-62.91
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012590794	0	63	0.0	-38.50	444.70	13.01	-25.49
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012590794	1	63	0.0	-36.26	436.67	13.15	-23.11
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012590795	0	66	0.0	-67.83	460.35	10.61	-57.22
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012590795	1	66	0.0	-64.53	453.02	10.65	-53.88
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012590796	0	63	0.0	-64.94	461.66	11.18	-53.76
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012590796	1	63	0.0	-67.31	454.05	11.22	-56.09
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012590797	0	63	0.0	-67.43	461.41	11.24	-56.19
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012590797	1	63	0.0	-65.77	454.29	11.17	-54.60
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012590798	0	64	0.0	-69.20	438.89	9.89	-59.31
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012590798	1	64	0.0	-66.57	435.27	10.06	-56.51
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012590799	0	66	0.0	-67.24	460.22	10.64	-56.60
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012590799	1	66	0.0	-64.57	453.02	10.64	-53.93
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012590800	0	66	0.0	-65.23	460.69	10.61	-54.62
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012590800	1	66	0.0	-66.83	452.37	10.58	-56.25
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012590801	0	64	0.0	-44.31	440.98	11.34	-32.97
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012590801	1	64	0.0	-41.35	433.52	11.22	-30.13
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012590802	0	64	0.0	-75.83	436.53	11.06	-64.77
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012590802	1	64	0.0	-73.09	431.40	11.17	-61.92
C=CCSCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590803	0	58	0.0	-63.36	438.22	9.18	-54.18
C=CCSCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590803	1	58	0.0	-61.88	430.85	9.17	-52.71
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1	REAL300012590804	0	59	0.0	-64.36	404.30	10.07	-54.29
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1	REAL300012590804	1	59	0.0	-64.73	397.93	10.23	-54.50
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2(OC)CCC2)C1	REAL300012590805	0	61	0.0	-66.71	427.60	8.33	-58.38
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2(OC)CCC2)C1	REAL300012590805	1	61	0.0	-68.04	422.30	7.18	-60.86
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012590806	0	57	0.0	-64.32	415.19	9.00	-55.32
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012590806	1	57	0.0	-64.14	403.81	8.81	-55.33
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012590808	0	54	0.0	-70.88	378.49	9.36	-61.52
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012590808	1	54	0.0	-71.45	385.11	9.39	-62.06
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012590809	0	56	0.0	-46.42	387.93	10.13	-36.29
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012590809	1	56	0.0	-41.72	387.76	10.11	-31.61
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012590810	0	60	0.0	-76.26	416.44	9.82	-66.44
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012590810	1	60	0.0	-74.81	407.76	9.93	-64.88
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012590811	0	64	0.0	-76.94	436.24	12.34	-64.60
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012590811	1	64	0.0	-73.97	427.03	11.90	-62.07
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CCC(C)C)C(=O)[O-])C1	REAL300012590812	0	62	0.0	-63.05	440.57	9.51	-53.54
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CCC(C)C)C(=O)[O-])C1	REAL300012590812	1	62	0.0	-66.81	433.45	9.43	-57.38
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012590813	0	61	0.0	-46.19	426.75	10.73	-35.46
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012590813	1	61	0.0	-46.75	419.46	10.71	-36.04
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012590814	0	61	0.0	-63.83	431.77	7.11	-56.72
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012590814	1	61	0.0	-66.91	428.16	7.44	-59.47
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])C1	REAL300012590815	0	58	0.0	-69.15	423.35	10.27	-58.88
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])C1	REAL300012590815	1	58	0.0	-71.38	421.93	10.47	-60.91
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012590816	0	61	0.0	-69.01	415.58	10.24	-58.77
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012590816	1	61	0.0	-67.12	410.58	9.94	-57.18
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012590817	0	58	0.0	-70.71	403.97	9.14	-61.57
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012590817	1	58	0.0	-72.41	395.39	9.31	-63.10
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012590818	0	61	0.0	-69.98	423.84	9.71	-60.27
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012590818	1	61	0.0	-70.01	416.53	9.72	-60.29
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012590819	0	63	0.0	-67.34	447.09	12.31	-55.03
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012590819	1	63	0.0	-63.82	439.88	12.29	-51.53
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012590820	0	67	0.0	-40.01	455.75	11.71	-28.30
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012590820	1	67	0.0	-46.70	448.56	11.66	-35.04
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012590821	0	60	0.0	-66.78	416.06	8.95	-57.83
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012590821	1	60	0.0	-64.73	409.12	8.94	-55.79
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C1	REAL300012590822	0	57	0.0	-64.34	410.25	6.63	-57.71
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C1	REAL300012590822	1	57	0.0	-67.33	402.76	6.66	-60.67
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C1	REAL300012590823	0	57	0.0	-67.65	394.58	8.67	-58.98
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C1	REAL300012590823	1	57	0.0	-71.75	392.03	8.91	-62.84
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012590824	0	60	0.0	-44.53	431.13	11.92	-32.61
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012590824	1	60	0.0	-46.71	423.68	11.88	-34.83
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012590825	0	60	0.0	-40.11	419.46	10.03	-30.08
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012590825	1	60	0.0	-42.16	412.34	10.02	-32.14
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012590826	0	57	0.0	-73.75	401.16	10.43	-63.32
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012590826	1	57	0.0	-73.87	394.49	10.68	-63.19
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012590827	0	54	0.0	-71.81	390.18	9.29	-62.52
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012590827	1	54	0.0	-73.10	385.24	8.97	-64.13
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012590828	0	60	0.0	-64.04	445.09	10.48	-53.56
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012590828	1	60	0.0	-70.66	437.67	10.45	-60.21
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012590829	0	57	0.0	-66.69	429.26	9.41	-57.28
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012590829	1	57	0.0	-67.52	422.15	9.29	-58.23
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012590830	0	57	0.0	-72.25	408.58	10.05	-62.20
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012590830	1	57	0.0	-69.26	401.22	10.04	-59.22
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012590831	0	57	0.0	-66.69	429.26	9.41	-57.28
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012590831	1	57	0.0	-67.52	422.15	9.29	-58.23
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012590832	0	61	0.0	-75.96	417.77	10.50	-65.46
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012590832	1	61	0.0	-73.39	416.11	10.35	-63.04
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CCCOC)C(=O)[O-])C1	REAL300012590833	0	60	0.0	-63.12	435.42	7.23	-55.89
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CCCOC)C(=O)[O-])C1	REAL300012590833	1	60	0.0	-65.68	428.06	7.20	-58.48
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1	REAL300012590834	0	59	0.0	-60.64	412.14	10.31	-50.33
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1	REAL300012590834	1	59	0.0	-63.96	404.76	10.28	-53.68
CCOCC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590835	0	57	0.0	-68.13	413.97	6.60	-61.53
CCOCC(NC(=O)NCC(C)(C)[N@H+]1CCCC(CC)C1)C(=O)[O-]	REAL300012590835	1	57	0.0	-67.64	406.13	6.56	-61.08
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012590836	0	62	0.0	-64.45	430.01	9.82	-54.63
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012590836	1	62	0.0	-66.83	422.86	9.79	-57.04
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012590837	0	61	0.0	-66.06	431.49	7.94	-58.12
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012590837	1	61	0.0	-69.70	423.38	7.50	-62.20
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012590838	0	61	0.0	-68.57	435.87	10.72	-57.85
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012590838	1	61	0.0	-67.92	428.38	10.76	-57.16
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012590839	0	58	0.0	-73.65	401.60	8.83	-64.82
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012590839	1	58	0.0	-72.35	400.65	8.63	-63.72
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012590840	0	54	0.0	-69.06	401.10	7.89	-61.17
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012590840	1	54	0.0	-68.47	393.50	7.93	-60.54
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012590841	0	57	0.0	-47.00	418.68	10.32	-36.68
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012590841	1	57	0.0	-48.75	411.48	10.31	-38.44
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H](C)C(=O)[O-])C1	REAL300012590842	0	53	0.0	-62.47	371.12	8.43	-54.04
CCC1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H](C)C(=O)[O-])C1	REAL300012590842	1	53	0.0	-60.84	363.91	8.41	-52.43
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[N@@H+]2CCCC(CC)C2)C1	REAL300012590843	0	61	0.0	-70.64	434.13	9.26	-61.38
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[N@H+]2CCCC(CC)C2)C1	REAL300012590843	1	61	0.0	-70.29	434.06	9.13	-61.16
CC(C)C[C@H](NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590844	0	60	0.0	-71.83	440.64	9.13	-62.70
C=CCOCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590845	0	59	0.0	-72.48	449.39	7.60	-64.88
C=CC(C)C(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590846	0	58	0.0	-69.09	432.79	8.98	-60.11
CC([NH2+]C1(CNC(=O)N2CCC(C)CC2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590847	0	61	0.0	-82.45	426.95	11.36	-71.09
CCCN(CC(=O)[O-])C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590848	0	57	0.0	-55.16	422.20	10.39	-44.77
CC([NH2+]C1(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)CCCC1)C1=CC=CC=C1	REAL300012590849	0	61	0.0	-59.40	434.19	10.63	-48.77
CCCN(C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(CC)C(=O)[O-]	REAL300012590850	0	63	0.0	-68.44	447.74	11.26	-57.18
CC(C)C(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590851	0	57	0.0	-72.42	415.46	8.14	-64.28
CC([NH2+]C1(CNC(=O)N2CCCCC2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590852	0	58	0.0	-82.12	412.82	11.00	-71.12
CC([NH2+]C1(CNC(=O)N2CCSCC2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590853	0	56	0.0	-80.09	413.01	10.93	-69.16
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CCCCC2)CCCC1)C1=CC=CC=C1	REAL300012590854	0	61	0.0	-74.28	432.29	10.04	-64.24
CC([NH2+]C1(CNC(=O)N2CCCC2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590855	0	55	0.0	-78.59	401.52	9.74	-68.85
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CCCC2)CCCC1)C1=CC=CC=C1	REAL300012590856	0	58	0.0	-74.20	417.77	8.94	-65.26
CC([NH2+]C1(CNC(=O)NCC(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590857	0	48	0.0	-61.27	360.15	5.97	-55.30
CC([NH2+]C1(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CCCC1)C1=CC=CC=C1	REAL300012590858	0	58	0.0	-71.41	438.71	9.97	-61.44
CC([NH2+]C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CCCC1)C1=CC=CC=C1	REAL300012590859	0	58	0.0	-71.95	438.95	9.89	-62.06
CCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590860	0	54	0.0	-71.09	402.77	7.82	-63.27
CC(C)C(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590861	0	57	0.0	-72.42	415.46	8.14	-64.28
CC([NH2+]C1(CNC(=O)N(C)CC(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590862	0	51	0.0	-70.55	378.89	8.65	-61.90
CC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590863	0	51	0.0	-62.14	381.26	6.76	-55.38
CCC(C)C(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590864	0	60	0.0	-71.76	433.43	8.80	-62.96
CC([NH2+]C1(CNC(=O)N(C)CC(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590865	0	51	0.0	-70.55	378.89	8.65	-61.90
CC([NH2+]C1(CNC(=O)N2CCCCC2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590866	0	58	0.0	-82.12	412.82	11.00	-71.12
CCCC(C)(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590867	0	60	0.0	-71.88	428.41	8.94	-62.94
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590868	0	57	0.0	-70.78	410.81	9.90	-60.88
CC([NH2+]C1(CNC(=O)N(CC(=O)[O-])C2CC2)CCCC1)C1=CC=CC=C1	REAL300012590869	0	55	0.0	-71.95	405.62	10.02	-61.93
C=CCN(CC(=O)[O-])C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590870	0	55	0.0	-54.89	413.51	10.19	-44.70
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590871	0	60	0.0	-55.01	436.86	10.91	-44.10
CC([NH2+]C1(CNC(=O)NC(C)(C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590872	0	54	0.0	-60.36	393.52	7.20	-53.16
CC([NH2+]C1(CNC(=O)NC(C)(C(=O)[O-])C2CC2)CCCC1)C1=CC=CC=C1	REAL300012590873	0	58	0.0	-72.63	416.34	8.95	-63.68
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CCCCC2)CCCC1)C1=CC=CC=C1	REAL300012590874	0	61	0.0	-74.28	432.29	10.04	-64.24
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590875	0	57	0.0	-70.78	410.81	9.90	-60.88
CCCN(CC(=O)[O-])C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590876	0	57	0.0	-55.16	422.20	10.39	-44.77
CCN(CC(=O)[O-])C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590877	0	54	0.0	-70.70	400.70	9.63	-61.07
CC[C@H](C)[C@H](NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590878	0	60	0.0	-71.65	432.35	8.76	-62.89
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CCCC2)CCCC1)C1=CC=CC=C1	REAL300012590879	0	58	0.0	-74.20	417.77	8.94	-65.26
CCC(C)(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590880	0	57	0.0	-69.93	406.91	8.19	-61.74
CC([NH2+]C1(CNC(=O)N[C@@H](C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590881	0	51	0.0	-62.18	380.94	6.80	-55.38
CCN(CC(=O)[O-])C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590882	0	54	0.0	-70.70	400.70	9.63	-61.07
CC([NH2+]C1(CNC(=O)N[C@H](C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590883	0	51	0.0	-61.66	380.94	6.80	-54.86
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CC2)CCCC1)C1=CC=CC=C1	REAL300012590884	0	52	0.0	-76.37	387.09	8.02	-68.35
CC([NH2+]C1(CNC(=O)N2CCOCC2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590885	0	56	0.0	-78.30	403.89	8.33	-69.97
CC([NH2+]C1(CNC(=O)NC(C(=O)[O-])C2CC2)CCCC1)C1=CC=CC=C1	REAL300012590886	0	55	0.0	-72.12	409.17	8.32	-63.80
COCCN(CC(=O)[O-])C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590887	0	58	0.0	-55.40	432.08	8.81	-46.59
CC([NH2+]C1(CNC(=O)N2CCC[C@@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590888	0	55	0.0	-76.14	403.04	9.23	-66.91
CC([NH2+]C1(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590889	0	58	0.0	-79.94	409.97	10.99	-68.95
CC([NH2+]C1(CNC(=O)N(C)[C@H](C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590890	0	54	0.0	-66.94	393.29	8.78	-58.16
CC([NH2+]C1(CNC(=O)N2CCC[C@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590891	0	55	0.0	-77.07	401.88	9.62	-67.45
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CCC2)CCCC1)C1=CC=CC=C1	REAL300012590892	0	55	0.0	-75.40	403.90	8.54	-66.86
C=CCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590893	0	55	0.0	-70.06	415.81	8.34	-61.72
CC([NH2+]C1(CNC(=O)N2CCCC2(C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590894	0	58	0.0	-76.82	418.67	10.22	-66.60
CC([NH2+]C1(CNC(=O)N2CCCCCC2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590895	0	61	0.0	-77.06	427.38	11.59	-65.47
CC([NH2+]C1(CNC(=O)NC(C(=O)[O-])C2CC2)CCCC1)C1=CC=CC=C1	REAL300012590896	0	55	0.0	-72.12	409.17	8.32	-63.80
CC([NH2+]C1(CNC(=O)N(C)C(C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590897	0	54	0.0	-66.94	393.80	8.88	-58.06
CCCCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590898	0	60	0.0	-70.29	445.53	9.43	-60.86
CC([NH2+]C1(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590899	0	58	0.0	-78.58	418.65	10.26	-68.32
CC([NH2+]C1(CNC(=O)N(CC(=O)[O-])C2CCCC2)CCCC1)C1=CC=CC=C1	REAL300012590900	0	61	0.0	-54.40	437.04	11.20	-43.20
COCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590901	0	55	0.0	-71.59	414.49	6.11	-65.48
CCCCCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590902	0	63	0.0	-70.88	467.27	10.14	-60.74
CC([NH2+]C1(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)CCCC1)C1=CC=CC=C1	REAL300012590903	0	61	0.0	-76.71	429.70	10.91	-65.80
CC([NH2+]C1(CNC(=O)N(C(C)C(=O)[O-])C2CC2)CCCC1)C1=CC=CC=C1	REAL300012590904	0	58	0.0	-59.58	418.88	10.16	-49.42
CCC(C(=O)[O-])N(C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C1CC1	REAL300012590905	0	61	0.0	-54.46	440.42	11.47	-42.99
COCC(C)(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590906	0	58	0.0	-74.56	425.15	7.47	-67.09
CCOCC(C(=O)[O-])N(C)C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590907	0	61	0.0	-68.02	445.16	9.13	-58.89
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590908	0	60	0.0	-55.01	436.86	10.91	-44.10
CC([NH2+]C1(CNC(=O)N(CC(=O)[O-])C2CC2)CCCC1)C1=CC=CC=C1	REAL300012590909	0	55	0.0	-71.95	405.62	10.02	-61.93
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CCOC2)CCCC1)C1=CC=CC=C1	REAL300012590910	0	56	0.0	-71.65	408.42	6.33	-65.32
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CCOCC2)CCCC1)C1=CC=CC=C1	REAL300012590911	0	59	0.0	-73.84	423.71	7.53	-66.31
C=CCCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590912	0	58	0.0	-70.76	437.08	9.14	-61.62
CC([NH2+]C1(CNC(=O)NC(CF)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590913	0	51	0.0	-59.31	384.56	6.81	-52.50
CC([NH2+]C1(CNC(=O)N(C)C(C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590914	0	54	0.0	-66.94	393.80	8.88	-58.06
CCC(CC)(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590915	0	60	0.0	-73.00	423.58	9.09	-63.91
CCC(C)N(CC(=O)[O-])C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590916	0	60	0.0	-54.28	431.80	11.20	-43.08
CCC(COC)(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590917	0	61	0.0	-75.91	441.59	8.39	-67.52
CC([NH2+]C1(CNC(=O)NC(CC2CC2)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590918	0	58	0.0	-71.93	434.38	9.36	-62.57
COCCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590919	0	58	0.0	-70.62	436.20	6.94	-63.68
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590920	0	63	0.0	-68.51	453.44	11.38	-57.13
CC([NH2+]C1(CNC(=O)NC(CC(F)F)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590921	0	54	0.0	-71.17	415.12	8.10	-63.07
CCCN(C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(C)C(=O)[O-]	REAL300012590922	0	60	0.0	-76.64	434.38	11.19	-65.45
CC([NH2+]C1(CNC(=O)NC(CCF)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590923	0	54	0.0	-69.47	409.12	8.02	-61.45
CC([NH2+]C1(CNC(=O)NC(C)(CCF)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590924	0	57	0.0	-68.93	413.50	8.34	-60.59
CC([NH2+]C1(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590925	0	55	0.0	-72.65	416.14	9.61	-63.04
CC([NH2+]C1(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590926	0	54	0.0	-68.48	392.73	8.82	-59.66
CC([NH2+]C1(CNC(=O)N2CC3CC2(C(=O)[O-])C3)CCCC1)C1=CC=CC=C1	REAL300012590927	0	56	0.0	-81.56	406.62	10.38	-71.18
CC([NH2+]C1(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CCCC1)C1=CC=CC=C1	REAL300012590928	0	60	0.0	-73.41	433.56	8.93	-64.48
C=C(Cl)CC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590929	0	55	0.0	-65.79	431.00	9.00	-56.79
C=C(C)CC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590930	0	58	0.0	-71.70	433.52	9.28	-62.42
CC([NH2+]C1(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CCCC1)C1=CC=CC=C1	REAL300012590931	0	59	0.0	-84.18	421.35	11.19	-72.99
CC([NH2+]C1(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590932	0	55	0.0	-71.21	414.83	9.78	-61.43
CC([NH2+]C1(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590933	0	55	0.0	-74.66	400.44	9.68	-64.98
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH2+]C(C)C3=CC=CC=C3)CCCC2)C1	REAL300012590934	0	56	0.0	-77.11	408.33	9.66	-67.45
CC(C)C[C@H](NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590935	0	60	0.0	-71.83	440.64	9.13	-62.70
CC([NH2+]C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CCCC1)C1=CC=CC=C1	REAL300012590936	0	58	0.0	-71.95	438.95	9.89	-62.06
CC([NH2+]C1(CNC(=O)NC(CC2CC2)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590937	0	58	0.0	-71.93	434.38	9.36	-62.57
CSCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590938	0	55	0.0	-68.23	426.47	8.16	-60.07
COC[C@H](NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590939	0	55	0.0	-73.21	414.63	6.06	-67.15
CC[C@H](NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590940	0	54	0.0	-72.12	402.77	7.82	-64.30
CCC(C)CC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590941	0	63	0.0	-71.20	459.70	9.77	-61.43
C=CCCCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590942	0	61	0.0	-70.97	458.58	9.93	-61.04
CC([NH2+]C1(CNC(=O)N2CCSCC2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590943	0	56	0.0	-80.09	413.01	10.93	-69.16
CC([NH2+]C1(CNC(=O)N2CCC[C@@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590944	0	55	0.0	-76.14	403.04	9.23	-66.91
CCCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590945	0	57	0.0	-70.96	424.27	8.58	-62.38
CC(C)[C@@H](NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590946	0	57	0.0	-69.92	417.89	8.43	-61.49
CC([NH2+]C1(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590947	0	59	0.0	-84.68	423.59	11.30	-73.38
CCN(C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(C)(C)C(=O)[O-]	REAL300012590948	0	60	0.0	-73.36	427.25	10.46	-62.90
CCCN(C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(C)C(=O)[O-]	REAL300012590949	0	60	0.0	-76.64	434.38	11.19	-65.45
CC([NH2+]C1(CNC(=O)N(C)C(C)(C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590950	0	57	0.0	-74.53	408.47	9.79	-64.74
CC([NH2+]C1(CNC(=O)N2CCC[C@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590951	0	55	0.0	-77.07	401.88	9.62	-67.45
CC([NH2+]C1(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590952	0	56	0.0	-76.77	407.60	5.78	-70.99
CCC[C@@H](NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590953	0	57	0.0	-70.95	424.27	8.58	-62.37
CC([NH2+]C1(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CCCC1)C1=CC=CC=C1	REAL300012590954	0	58	0.0	-71.41	438.71	9.97	-61.44
C=CCCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590955	0	58	0.0	-70.76	437.08	9.14	-61.62
CC([NH2+]C1(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590956	0	58	0.0	-75.53	418.64	10.20	-65.33
CC(C)[C@H](NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590957	0	57	0.0	-71.16	413.90	8.13	-63.03
CC([NH2+]C1(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CCCC1)C1=CC=CC=C1	REAL300012590958	0	58	0.0	-72.03	438.30	9.92	-62.11
CC([NH2+]C1(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590959	0	54	0.0	-68.48	392.73	8.82	-59.66
CCC[C@H](NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590960	0	57	0.0	-71.43	423.44	8.61	-62.82
CCN(C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(C)C(=O)[O-]	REAL300012590961	0	57	0.0	-67.26	409.97	9.56	-57.70
CC([NH2+]C1(CNC(=O)N(CC(=O)[O-])C2CCCC2)CCCC1)C1=CC=CC=C1	REAL300012590962	0	61	0.0	-54.40	437.04	11.20	-43.20
CC(CN(C)C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590963	0	57	0.0	-78.22	415.06	9.58	-68.64
CC[C@H](C)[C@H](NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590964	0	60	0.0	-71.65	432.35	8.76	-62.89
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590965	0	57	0.0	-69.54	413.19	9.81	-59.73
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CCCC1)C1=CC=CC=C1	REAL300012590966	0	59	0.0	-75.19	434.91	6.06	-69.13
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)CCCC1)C1=CC=CC=C1	REAL300012590967	0	61	0.0	-74.37	438.84	9.56	-64.81
COCCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590968	0	58	0.0	-70.62	436.20	6.94	-63.68
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CCCC1)C1=CC=CC=C1	REAL300012590969	0	61	0.0	-76.09	440.32	10.25	-65.84
CC([NH2+]C1(CNC(=O)NC(C(=O)[O-])C2(C)CC2)CCCC1)C1=CC=CC=C1	REAL300012590970	0	58	0.0	-72.29	424.23	9.16	-63.13
CC([NH2+]C1(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590971	0	56	0.0	-83.46	411.56	6.59	-76.87
CC([NH2+]C1(CNC(=O)NC(C(=O)[O-])C2CCOC2)CCCC1)C1=CC=CC=C1	REAL300012590972	0	59	0.0	-69.22	429.94	6.83	-62.39
CC([NH2+]C1(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590973	0	59	0.0	-84.73	422.47	10.56	-74.17
CC([NH2+]C1(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CCCC1)C1=CC=CC=C1	REAL300012590974	0	57	0.0	-79.69	416.06	8.54	-71.15
CC([NH2+]C1(CNC(=O)N2CC(C)CCC2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590975	0	61	0.0	-81.24	433.46	11.75	-69.49
CC([NH2+]C1(CNC(=O)NC(C(=O)[O-])C2CCC2)CCCC1)C1=CC=CC=C1	REAL300012590976	0	58	0.0	-71.69	422.91	8.71	-62.98
CC([NH2+]C1(CNC(=O)NC(C(=O)[O-])C2CCC2)CCCC1)C1=CC=CC=C1	REAL300012590977	0	58	0.0	-71.69	422.91	8.71	-62.98
CC([NH2+]C1(CNC(=O)N2CCC(C)C2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590978	0	58	0.0	-79.52	422.13	10.32	-69.20
C=CCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590979	0	55	0.0	-70.06	415.81	8.34	-61.72
CC([NH2+]C1(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590980	0	59	0.0	-40.92	423.91	10.75	-30.17
COC1CC(NC(=O)NCC2([NH2+]C(C)C3=CC=CC=C3)CCCC2)(C(=O)[O-])C1	REAL300012590981	0	59	0.0	-71.01	434.37	7.64	-63.37
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CCCC1)C1=CC=CC=C1	REAL300012590982	0	55	0.0	-74.04	412.32	8.56	-65.48
CO[C@H]1C[C@](NC(=O)NCC2([NH2+]C(C)C3=CC=CC=C3)CCCC2)(C(=O)[O-])C1	REAL300012590983	0	59	0.0	-73.40	434.85	7.91	-65.49
CCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590984	0	61	0.0	-79.55	431.67	11.41	-68.14
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])COC2)CCCC1)C1=CC=CC=C1	REAL300012590985	0	53	0.0	-69.45	394.72	5.57	-63.88
CC(C)C(C)(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590986	0	60	0.0	-72.86	423.64	8.87	-63.99
CC([NH2+]C1(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590987	0	56	0.0	-79.33	401.70	11.98	-67.35
CC([NH2+]C1(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590988	0	59	0.0	-79.95	424.18	10.47	-69.48
CCC(C(=O)[O-])N(CC)C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012590989	0	60	0.0	-67.88	426.98	10.52	-57.36
CC([NH2+]C1(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590990	0	55	0.0	-74.66	400.44	9.68	-64.98
CC([NH2+]C1(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590991	0	57	0.0	-41.51	416.41	10.59	-30.92
CC([NH2+]C1(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590992	0	61	0.0	-79.51	433.90	10.68	-68.83
CC(C)CCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590993	0	63	0.0	-71.07	463.34	9.88	-61.19
CC([NH2+]C1(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012590994	0	62	0.0	-41.19	449.14	11.26	-29.93
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CCCC1)C1=CC=CC=C1	REAL300012590995	0	62	0.0	-78.39	438.11	10.68	-67.71
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CCC3CC32)CCCC1)C1=CC=CC=C1	REAL300012590996	0	59	0.0	-77.96	425.27	9.76	-68.20
CC([NH2+]C1(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CCCC1)C1=CC=CC=C1	REAL300012590997	0	62	0.0	-73.88	446.52	10.15	-63.73
CC([NH2+]C1(CNC(=O)NC(C(=O)[O-])C2CCCC2)CCCC1)C1=CC=CC=C1	REAL300012590998	0	61	0.0	-71.14	438.93	9.41	-61.73
CO[C@H](C)[C@H](NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012590999	0	58	0.0	-73.01	432.77	7.06	-65.95
CC([NH2+]C1(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CCCC1)C1=CC=CC=C1	REAL300012591000	0	58	0.0	-74.35	415.45	9.18	-65.17
CC([NH2+]C1(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012591001	0	61	0.0	-41.13	441.35	10.52	-30.61
CC([NH2+]C1(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012591002	0	55	0.0	-83.01	413.21	9.86	-73.15
CC([NH2+]C1(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012591003	0	62	0.0	-80.07	439.20	10.86	-69.21
COCCCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012591004	0	61	0.0	-69.68	457.70	7.72	-61.96
CCCC(C(=O)[O-])N(C)C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300012591005	0	60	0.0	-67.41	435.24	10.62	-56.79
CCOCC(NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300012591006	0	58	0.0	-71.89	436.35	7.08	-64.81
CC([NH2+]C1(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012591007	0	63	0.0	-71.01	452.64	10.25	-60.76
CC([NH2+]C1(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012591008	0	59	0.0	-79.25	421.22	9.58	-69.67
CC([NH2+]C1(CNC(=O)NC(CCC#N)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012591009	0	55	0.0	-72.12	423.39	8.38	-63.74
CC([NH2+]C1(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CCCC1)C1=CC=CC=C1	REAL300012591010	0	58	0.0	-55.72	441.36	10.77	-44.95
CC([NH2+]C1(CNC(=O)N(C)[C@H](C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012591011	0	54	0.0	-66.94	393.29	8.78	-58.16
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCSC2)CC1	REAL300012591090	0	48	0.0	-60.94	376.29	6.18	-54.76
CC1=NN(C)C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012591265	0	53	0.0	-64.55	413.74	5.56	-58.99
CC1=CC=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012591491	0	55	0.0	-65.51	428.49	7.00	-58.51
CC1=CN=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012591713	0	52	0.0	-63.71	403.63	6.40	-57.31
CC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=N1	REAL300012592190	0	52	0.0	-63.47	407.67	6.26	-57.21
CC1=CC=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012592389	0	52	0.0	-63.40	407.64	6.24	-57.16
CC(C)C[C@H](NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592485	0	57	0.0	-70.72	419.76	9.46	-61.26
C=CCOCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592486	0	56	0.0	-71.44	428.00	7.92	-63.52
C=CC(C)C(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592487	0	55	0.0	-77.52	411.90	9.30	-68.22
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)(C2=CC=CC=C2)CC1	REAL300012592488	0	59	0.0	-82.37	425.80	8.00	-74.37
COC1CCN(C(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)C(C(=O)[O-])C1	REAL300012592489	0	59	0.0	-82.22	421.76	10.24	-71.98
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)(C2=CC=CC=C2)CC1	REAL300012592490	0	59	0.0	-76.28	425.68	8.04	-68.24
CC1CCN(C(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)C(C(=O)[O-])C1	REAL300012592491	0	58	0.0	-82.50	412.15	11.72	-70.78
CCCN(CC(=O)[O-])C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592492	0	54	0.0	-57.50	401.31	10.73	-46.77
CC(C(=O)[O-])N(C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C1CCC1	REAL300012592493	0	58	0.0	-61.01	413.15	10.95	-50.06
CCCN(C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(COC)C(=O)[O-]	REAL300012592494	0	61	0.0	-82.82	444.57	11.64	-71.18
CCCN(C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(CC)C(=O)[O-]	REAL300012592495	0	60	0.0	-51.16	424.93	12.35	-38.81
CC(C)C(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592496	0	54	0.0	-79.75	398.92	8.71	-71.04
C[NH+]1CCC(CNC(=O)N2CCCCC2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592497	0	55	0.0	-83.41	391.90	11.38	-72.03
C[NH+]1CCC(CNC(=O)N2CCSCC2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592498	0	53	0.0	-82.32	392.31	11.26	-71.06
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)(C2=CC=CC=C2)CC1	REAL300012592499	0	58	0.0	-71.89	411.80	10.36	-61.53
C[NH+]1CCC(CNC(=O)N2CCCC2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592500	0	52	0.0	-76.72	380.70	10.05	-66.67
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2)(C2=CC=CC=C2)CC1	REAL300012592501	0	55	0.0	-74.36	397.02	9.25	-65.11
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)(C2=CC=CC=C2)CC1	REAL300012592502	0	61	0.0	-72.13	417.46	11.02	-61.11
C[NH+]1CCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592503	0	58	0.0	-72.07	440.24	11.15	-60.92
C[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)(C2=CC=CC=C2)CC1	REAL300012592504	0	58	0.0	-57.86	438.80	12.96	-44.90
C[NH+]1CCC(CNC(=O)NCC(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592505	0	45	0.0	-66.28	339.26	6.29	-59.99
C[NH+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)(C2=CC=CC=C2)CC1	REAL300012592506	0	55	0.0	-79.68	418.04	10.23	-69.45
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)(C2=CC=CC=C2)CC1	REAL300012592507	0	55	0.0	-71.52	417.94	10.22	-61.30
CCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592508	0	51	0.0	-69.89	381.04	8.15	-61.74
CC(C)C(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592509	0	54	0.0	-79.75	398.92	8.71	-71.04
CN(CC(=O)[O-])C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592510	0	48	0.0	-78.26	358.00	8.97	-69.29
C[NH+]1CCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592511	0	58	0.0	-72.07	440.24	11.15	-60.92
CC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592512	0	48	0.0	-68.74	360.36	7.08	-61.66
CCC(C)C(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592513	0	57	0.0	-80.07	412.53	9.12	-70.95
CN(CC(=O)[O-])C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592514	0	48	0.0	-78.26	358.00	8.97	-69.29
C[NH+]1CCC(CNC(=O)N2CCCCC2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592515	0	55	0.0	-83.41	391.90	11.38	-72.03
CCCC(C)(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592516	0	57	0.0	-70.13	407.51	9.27	-60.86
CC(C)N(CC(=O)[O-])C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592517	0	54	0.0	-60.42	378.26	10.43	-49.99
C[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CC2)(C2=CC=CC=C2)CC1	REAL300012592518	0	52	0.0	-60.90	369.41	10.53	-50.37
C=CCN(CC(=O)[O-])C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592519	0	52	0.0	-57.32	392.62	10.52	-46.80
CC(C)CN(CC(=O)[O-])C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592520	0	57	0.0	-56.86	415.73	11.01	-45.85
C[NH+]1CCC(CNC(=O)NC(C)(C)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592521	0	51	0.0	-65.68	372.62	7.52	-58.16
C[NH+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)(C2=CC=CC=C2)CC1	REAL300012592522	0	55	0.0	-70.91	395.44	9.28	-61.63
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)(C2=CC=CC=C2)CC1	REAL300012592523	0	52	0.0	-77.80	409.43	9.37	-68.43
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)(C2=CC=CC=C2)CC1	REAL300012592524	0	58	0.0	-71.89	411.80	10.36	-61.53
CC(C)N(CC(=O)[O-])C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592525	0	54	0.0	-60.42	378.26	10.43	-49.99
CCCN(CC(=O)[O-])C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592526	0	54	0.0	-57.50	401.31	10.73	-46.77
CCN(CC(=O)[O-])C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592527	0	51	0.0	-79.14	379.81	9.95	-69.19
CC[C@H](C)[C@H](NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592528	0	57	0.0	-70.13	413.02	9.10	-61.03
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2)(C2=CC=CC=C2)CC1	REAL300012592529	0	55	0.0	-74.36	397.02	9.25	-65.11
CCC(C)(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592530	0	54	0.0	-69.87	386.01	8.52	-61.35
C[NH+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)(C2=CC=CC=C2)CC1	REAL300012592531	0	58	0.0	-80.64	426.18	10.97	-69.67
C[C@H](NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592532	0	48	0.0	-65.31	360.04	7.13	-58.18
CCN(CC(=O)[O-])C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592533	0	51	0.0	-79.14	379.81	9.95	-69.19
C[C@@H](NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592534	0	48	0.0	-68.78	360.06	7.13	-61.65
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC2)(C2=CC=CC=C2)CC1	REAL300012592535	0	49	0.0	-82.85	366.25	8.35	-74.50
C[NH+]1CCC(CNC(=O)N2CCOCC2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592536	0	53	0.0	-81.36	383.20	8.64	-72.72
CN(C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C1(C(=O)[O-])CCCCC1	REAL300012592537	0	61	0.0	-72.53	420.94	11.68	-60.85
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC2)(C2=CC=CC=C2)CC1	REAL300012592538	0	52	0.0	-71.49	391.60	8.70	-62.79
CN(C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012592539	0	58	0.0	-80.55	427.58	12.57	-67.98
COCCN(CC(=O)[O-])C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592540	0	55	0.0	-58.79	411.18	9.14	-49.65
C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592541	0	52	0.0	-74.90	381.35	9.73	-65.17
C[NH+]1CCC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592542	0	55	0.0	-79.67	391.64	11.04	-68.63
C[C@H](C(=O)[O-])N(C)C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592543	0	51	0.0	-74.24	372.40	9.10	-65.14
C[NH+]1CCC(CNC(=O)N2CCC[C@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592544	0	52	0.0	-74.27	380.55	10.05	-64.22
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC2)(C2=CC=CC=C2)CC1	REAL300012592545	0	52	0.0	-75.89	383.17	8.85	-67.04
C=CCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592546	0	52	0.0	-69.48	394.36	8.60	-60.88
C[NH+]1CCC(CNC(=O)N2CCCC2(C)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592547	0	55	0.0	-76.27	397.91	10.59	-65.68
C[NH+]1CCC(CNC(=O)N2CCCCCC2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592548	0	58	0.0	-83.85	406.67	11.91	-71.94
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC2)(C2=CC=CC=C2)CC1	REAL300012592549	0	52	0.0	-71.49	391.60	8.70	-62.79
CC(C(=O)[O-])N(C)C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592550	0	51	0.0	-74.24	372.39	9.10	-65.14
CCCCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592551	0	57	0.0	-69.77	424.04	9.70	-60.07
C[NH+]1CCC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592552	0	55	0.0	-75.31	397.73	10.59	-64.72
C[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)(C2=CC=CC=C2)CC1	REAL300012592553	0	58	0.0	-55.86	416.05	11.52	-44.34
COCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592554	0	52	0.0	-71.49	393.25	6.37	-65.12
CCCCCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592555	0	60	0.0	-69.68	445.53	10.49	-59.19
C[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)(C2=CC=CC=C2)CC1	REAL300012592556	0	59	0.0	-56.88	424.59	9.85	-47.03
CN(C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C1(C(=O)[O-])CCCC1	REAL300012592557	0	58	0.0	-76.06	407.48	10.94	-65.12
CC(C(=O)[O-])N(C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C1CC1	REAL300012592558	0	55	0.0	-61.91	383.13	10.52	-51.39
CCC(C(=O)[O-])N(C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C1CC1	REAL300012592559	0	58	0.0	-65.42	405.08	11.69	-53.73
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)(C2=CC=CC=C2)CC1	REAL300012592560	0	55	0.0	-85.74	422.38	10.36	-75.38
CC1=CC=C(C(NC(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012592561	0	58	0.0	-78.37	439.37	10.89	-67.48
C[NH+]1CCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592562	0	51	0.0	-65.54	396.98	8.86	-56.68
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCSCC2)(C2=CC=CC=C2)CC1	REAL300012592563	0	56	0.0	-77.48	409.00	10.05	-67.43
COCC(C)(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592564	0	55	0.0	-74.17	404.26	7.80	-66.37
CCOCC(C(=O)[O-])N(C)C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592565	0	58	0.0	-69.92	424.02	9.50	-60.42
CC(C)CN(CC(=O)[O-])C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592566	0	57	0.0	-56.86	415.73	11.01	-45.85
C[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CC2)(C2=CC=CC=C2)CC1	REAL300012592567	0	52	0.0	-60.90	369.41	10.53	-50.37
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOC2)(C2=CC=CC=C2)CC1	REAL300012592568	0	53	0.0	-70.52	387.53	6.65	-63.87
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)(C2=CC=CC=C2)CC1	REAL300012592569	0	61	0.0	-70.56	440.44	10.60	-59.96
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOCC2)(C2=CC=CC=C2)CC1	REAL300012592570	0	56	0.0	-80.82	402.73	7.86	-72.96
C=CCCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592571	0	55	0.0	-69.68	415.35	9.48	-60.20
C[NH+]1CCC(CNC(=O)NC(CF)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592572	0	48	0.0	-63.06	363.50	7.16	-55.90
CC(C(=O)[O-])N(C)C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592573	0	51	0.0	-74.24	372.39	9.10	-65.14
CCC(CC)(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592574	0	57	0.0	-80.04	402.40	9.40	-70.64
CCC(C)N(CC(=O)[O-])C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592575	0	57	0.0	-55.05	412.62	11.47	-43.58
CCC(COC)(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592576	0	58	0.0	-75.01	420.93	8.71	-66.30
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592577	0	61	0.0	-70.04	444.78	10.36	-59.68
C[NH+]1CCC(CNC(=O)NC(CC2CC2)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592578	0	55	0.0	-80.22	413.66	9.69	-70.53
COCCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592579	0	55	0.0	-69.85	414.72	7.21	-62.64
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592580	0	60	0.0	-69.05	431.43	11.71	-57.34
C[NH+]1CCC(CNC(=O)NC(CC(F)F)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592581	0	51	0.0	-69.35	393.39	8.44	-60.91
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592582	0	61	0.0	-88.12	435.59	12.49	-75.63
CCCN(C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012592583	0	57	0.0	-77.68	410.84	10.65	-67.03
C[NH+]1CCC(CNC(=O)NC(CCF)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592584	0	51	0.0	-68.63	387.63	8.29	-60.34
C[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)(C2=CC=CC=C2)CC1	REAL300012592585	0	59	0.0	-56.88	424.59	9.85	-47.03
C[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)(C2=CC=CC=C2)CC1	REAL300012592586	0	61	0.0	-56.35	433.46	12.23	-44.12
C[C@H]1CC[C@@](NC(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)(C(=O)[O-])CC1	REAL300012592587	0	61	0.0	-74.12	425.37	10.72	-63.40
C[NH+]1CCC(CNC(=O)NC(C)(CCF)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592588	0	54	0.0	-67.04	392.61	8.66	-58.38
C[NH+]1CCC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592589	0	56	0.0	-62.10	415.78	10.83	-51.27
C[NH+]1CCC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592590	0	52	0.0	-71.73	394.54	9.87	-61.86
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592591	0	51	0.0	-67.81	371.82	9.15	-58.66
C[NH+]1CCC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)(C2=CC=CC=C2)CC1	REAL300012592592	0	53	0.0	-82.52	387.29	10.68	-71.84
COC1CN(C(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)C(C)(C(=O)[O-])C1	REAL300012592593	0	59	0.0	-73.20	430.87	9.58	-63.62
C[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)(C2=CC=CC=C2)CC1	REAL300012592594	0	57	0.0	-70.81	411.07	9.27	-61.54
C=C(Cl)CC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592595	0	52	0.0	-71.25	411.15	9.19	-62.06
C=C(C)CC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592596	0	55	0.0	-69.73	414.89	9.35	-60.38
C[NH+]1CCC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)(C2=CC=CC=C2)CC1	REAL300012592597	0	56	0.0	-86.53	400.28	11.50	-75.03
C[NH+]1CCC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592598	0	52	0.0	-78.28	393.76	10.20	-68.08
C[NH+]1CCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592599	0	52	0.0	-84.14	387.31	10.12	-74.02
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)C1	REAL300012592600	0	53	0.0	-83.75	394.77	10.14	-73.61
CC(C)C[C@H](NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592601	0	57	0.0	-70.72	419.76	9.46	-61.26
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)(C2=CC=CC=C2)CC1	REAL300012592602	0	59	0.0	-82.37	425.80	8.00	-74.37
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)(C2=CC=CC=C2)CC1	REAL300012592603	0	55	0.0	-71.52	417.94	10.22	-61.30
C[NH+]1CCC(CNC(=O)NC(CC2CC2)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592604	0	55	0.0	-80.22	413.66	9.69	-70.53
CC(C)CCCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592605	0	63	0.0	-70.53	463.94	11.00	-59.53
C[NH+]1CCC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592606	0	59	0.0	-83.29	438.07	8.52	-74.77
CSCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592607	0	52	0.0	-69.19	405.35	8.55	-60.64
COC[C@H](NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592608	0	52	0.0	-72.12	393.26	6.38	-65.74
CC[C@H](NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592609	0	51	0.0	-69.87	381.04	8.16	-61.71
CCC(C)CC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592610	0	60	0.0	-70.06	437.97	10.12	-59.94
C=CCCCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592611	0	58	0.0	-69.54	436.85	10.26	-59.28
C[NH+]1CCC(CNC(=O)N2CCSCC2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592612	0	53	0.0	-82.32	392.31	11.26	-71.06
C[NH+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)(C2=CC=CC=C2)CC1	REAL300012592613	0	58	0.0	-80.64	426.18	10.97	-69.67
C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592614	0	52	0.0	-74.90	381.35	9.73	-65.17
CCCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592615	0	54	0.0	-70.79	403.38	8.90	-61.89
CC(C)[C@@H](NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592616	0	54	0.0	-77.41	396.91	8.75	-68.66
C[NH+]1CCC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592617	0	56	0.0	-86.23	402.48	11.60	-74.63
CCN(C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(C)(C)C(=O)[O-]	REAL300012592618	0	57	0.0	-83.39	406.85	10.89	-72.50
CCCN(C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012592619	0	57	0.0	-77.68	410.84	10.65	-67.03
C[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)(C2=CC=CC=C2)CC1	REAL300012592620	0	51	0.0	-72.77	394.47	10.45	-62.32
C[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)(C2=CC=CC=C2)CC1	REAL300012592621	0	51	0.0	-72.77	394.47	10.45	-62.32
CN(C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(C)(C)C(=O)[O-]	REAL300012592622	0	54	0.0	-83.41	387.07	10.01	-73.40
C[NH+]1CCC(CNC(=O)N2CCC[C@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592623	0	52	0.0	-74.27	380.55	10.05	-64.22
C[NH+]1CCC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592624	0	53	0.0	-76.00	392.60	6.35	-69.65
CCC[C@@H](NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592625	0	54	0.0	-78.84	403.12	8.98	-69.86
C[NH+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)(C2=CC=CC=C2)CC1	REAL300012592626	0	55	0.0	-79.68	418.04	10.23	-69.45
C=CCCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592627	0	55	0.0	-69.68	415.35	9.48	-60.20
CN1CC(C(=O)[O-])N(C(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)CC1=O	REAL300012592628	0	56	0.0	-70.50	408.13	9.05	-61.45
C[NH+]1CCC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592629	0	55	0.0	-73.73	397.67	10.60	-63.13
CC(C)[C@H](NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592630	0	54	0.0	-69.67	392.99	8.45	-61.22
C[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)(C2=CC=CC=C2)CC1	REAL300012592631	0	55	0.0	-80.74	418.18	10.20	-70.54
C[NH+]1CCC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592632	0	58	0.0	-79.56	427.39	9.56	-70.00
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592633	0	51	0.0	-67.81	371.82	9.15	-58.66
CCC[C@H](NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592634	0	54	0.0	-70.55	402.56	8.92	-61.63
CCN(C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012592635	0	54	0.0	-80.74	393.19	10.66	-70.08
C[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)(C2=CC=CC=C2)CC1	REAL300012592636	0	58	0.0	-55.86	416.05	11.52	-44.34
CC(CN(C)C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592637	0	54	0.0	-79.54	394.16	9.90	-69.64
CC[C@H](C)[C@H](NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592638	0	57	0.0	-70.13	413.02	9.10	-61.03
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592639	0	54	0.0	-68.53	392.29	10.14	-58.39
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)(C2=CC=CC=C2)CC1	REAL300012592640	0	56	0.0	-78.03	413.98	6.04	-71.99
CC1CCC(NC(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012592641	0	58	0.0	-83.46	417.97	9.89	-73.57
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)(C2=CC=CC=C2)CC1	REAL300012592642	0	61	0.0	-82.72	425.71	10.50	-72.22
COCCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592643	0	55	0.0	-69.85	414.72	7.21	-62.64
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)(C2=CC=CC=C2)CC1	REAL300012592644	0	58	0.0	-82.25	419.35	10.57	-71.68
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)(C2=CC=CC=C2)CC1	REAL300012592645	0	55	0.0	-81.20	403.32	9.49	-71.71
C[NH+]1CCC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592646	0	53	0.0	-91.28	391.32	6.52	-84.76
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOC2)(C2=CC=CC=C2)CC1	REAL300012592647	0	56	0.0	-78.42	409.10	7.09	-71.33
C[NH+]1CCC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592648	0	56	0.0	-89.69	402.84	11.17	-78.52
C[NH+]1CCC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)(C2=CC=CC=C2)CC1	REAL300012592649	0	54	0.0	-82.83	395.33	8.87	-73.96
CC1CCC(C(=O)[O-])N(C(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)C1	REAL300012592650	0	58	0.0	-83.36	412.96	11.90	-71.46
C[NH+]1CCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592651	0	62	0.0	-71.22	454.56	11.30	-59.92
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC2)(C2=CC=CC=C2)CC1	REAL300012592652	0	55	0.0	-81.42	402.70	9.03	-72.39
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)(C2=CC=CC=C2)CC1	REAL300012592653	0	61	0.0	-70.56	440.44	10.60	-59.96
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC2)(C2=CC=CC=C2)CC1	REAL300012592654	0	55	0.0	-81.42	402.70	9.03	-72.39
CC1CCN(C(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)C1C(=O)[O-]	REAL300012592655	0	55	0.0	-77.54	401.28	10.65	-66.89
C=CCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592656	0	52	0.0	-69.48	394.36	8.60	-60.88
C[NH+]1CCC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)(C2=CC=CC=C2)CC1	REAL300012592657	0	62	0.0	-52.32	428.12	11.86	-40.46
C[NH+]1CCC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592658	0	56	0.0	-66.47	403.95	11.04	-55.43
C[NH+]1CCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592659	0	62	0.0	-71.22	454.56	11.30	-59.92
COC1CC(NC(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012592660	0	56	0.0	-79.42	414.73	7.72	-71.70
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)(C2=CC=CC=C2)CC1	REAL300012592661	0	52	0.0	-79.39	391.35	8.89	-70.50
CO[C@H]1C[C@](NC(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012592662	0	56	0.0	-78.28	414.44	7.74	-70.54
CCC1(C(=O)[O-])CCCN1C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592663	0	58	0.0	-88.32	414.42	11.87	-76.45
C[NH+]1CCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592664	0	51	0.0	-65.54	396.98	8.86	-56.68
C[NH+]1CCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592665	0	59	0.0	-81.63	435.44	8.22	-73.41
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])COC2)(C2=CC=CC=C2)CC1	REAL300012592666	0	50	0.0	-76.57	373.88	5.91	-70.66
CC(C)C(C)(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592667	0	57	0.0	-70.35	400.93	9.14	-61.21
C[NH+]1CCC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592668	0	53	0.0	-81.32	387.56	11.23	-70.09
C[NH+]1CCC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592669	0	56	0.0	-85.48	403.84	10.83	-74.65
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)(C2=CC=CC=C2)CC1	REAL300012592670	0	62	0.0	-80.91	442.31	10.81	-70.10
C[NH+]1CCC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592671	0	62	0.0	-54.62	442.71	12.01	-42.61
C[NH+]1CCC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592672	0	62	0.0	-79.37	438.24	11.84	-67.53
C=CCSCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592673	0	56	0.0	-68.34	438.95	10.04	-58.30
CCC(C(=O)[O-])N(CC)C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592674	0	57	0.0	-82.56	408.82	11.57	-70.99
COC1(C(NC(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)C(=O)[O-])CCC1	REAL300012592675	0	59	0.0	-69.13	429.25	7.77	-61.36
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)(C2=CC=CC=C2)CC1	REAL300012592676	0	55	0.0	-75.36	415.27	9.69	-65.67
C[NH+]1CCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592678	0	52	0.0	-84.14	387.31	10.12	-74.02
C[NH+]1CCC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592679	0	54	0.0	-55.33	396.74	10.83	-44.50
C[NH+]1CCC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592680	0	58	0.0	-78.90	414.74	10.79	-68.11
C[NH+]1CCC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592681	0	62	0.0	-59.90	424.01	12.59	-47.31
CC(C)CCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592682	0	60	0.0	-69.86	441.60	10.22	-59.64
C[NH+]1CCC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592683	0	59	0.0	-55.72	429.84	11.49	-44.23
C[NH+]1CCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592684	0	59	0.0	-81.63	435.44	8.22	-73.41
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)C1	REAL300012592685	0	56	0.0	-83.64	425.03	11.00	-72.64
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)(C2=CC=CC=C2)CC1	REAL300012592686	0	59	0.0	-75.96	417.27	10.99	-64.97
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)(C2=CC=CC=C2)CC1	REAL300012592687	0	56	0.0	-74.24	405.69	9.85	-64.39
C[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)(C2=CC=CC=C2)CC1	REAL300012592688	0	59	0.0	-76.69	431.83	10.72	-65.97
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCC2)(C2=CC=CC=C2)CC1	REAL300012592689	0	58	0.0	-80.04	418.04	9.72	-70.32
CO[C@H](C)[C@H](NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592690	0	55	0.0	-69.98	411.65	7.45	-62.53
CC1[C@@H](C)[C@@]1(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592691	0	55	0.0	-74.43	400.91	9.69	-64.74
C[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)(C2=CC=CC=C2)CC1	REAL300012592692	0	58	0.0	-57.86	438.80	12.96	-44.90
C[NH+]1CCC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592693	0	58	0.0	-65.53	420.44	10.85	-54.68
C[NH+]1CCC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592694	0	55	0.0	-80.65	402.97	11.16	-69.49
C[NH+]1CCC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592695	0	52	0.0	-87.15	392.73	10.18	-76.97
C[NH+]1CCC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592696	0	55	0.0	-69.48	409.82	10.73	-58.75
C[NH+]1CCC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592697	0	59	0.0	-86.29	418.35	11.13	-75.16
COCCCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592698	0	58	0.0	-69.86	436.21	7.99	-61.87
CCCC(C(=O)[O-])N(C)C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592699	0	57	0.0	-68.57	413.80	10.90	-57.67
CCOCC(NC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300012592700	0	55	0.0	-72.44	415.59	7.35	-65.09
C[NH+]1CCC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592701	0	60	0.0	-80.92	432.97	10.52	-70.40
C[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)(C2=CC=CC=C2)CC1	REAL300012592702	0	59	0.0	-73.33	432.64	8.69	-64.64
C[C@H]1OCCN(C(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)[C@@H]1C(=O)[O-]	REAL300012592703	0	56	0.0	-79.98	402.36	9.39	-70.59
C[NH+]1CCC(CNC(=O)NC(CCC#N)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300012592704	0	52	0.0	-70.59	401.90	8.65	-61.94
C[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)(C2=CC=CC=C2)CC1	REAL300012592705	0	55	0.0	-58.85	420.47	11.09	-47.76
C[C@H](C(=O)[O-])N(C)C(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1	REAL300012592706	0	51	0.0	-74.24	372.40	9.10	-65.14
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2(C3=CC=CC=C3)CC[NH+](C)CC2)C1	REAL300012592707	0	59	0.0	-79.23	434.88	10.08	-69.15
CN1N=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C2=CC=CC=C21	REAL300012593156	0	56	0.0	-66.11	441.13	7.31	-58.80
CC(C)C[C@H](NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593289	0	53	0.0	-73.38	397.73	7.62	-65.76
CC(C)C[C@H](NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593289	1	53	0.0	-72.44	397.76	7.69	-64.75
C=CCOCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593290	0	52	0.0	-73.50	405.60	6.17	-67.33
C=CCOCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593290	1	52	0.0	-75.50	405.36	6.13	-69.37
C=CC(C)C(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593291	0	51	0.0	-69.85	387.84	7.48	-62.37
C=CC(C)C(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593291	1	51	0.0	-74.66	384.46	7.17	-67.49
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012593292	0	55	0.0	-72.00	407.07	6.46	-65.54
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012593292	1	55	0.0	-73.35	406.95	6.37	-66.98
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012593293	0	51	0.0	-68.46	408.68	8.68	-59.78
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012593293	1	51	0.0	-69.21	408.49	8.58	-60.63
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012593294	0	51	0.0	-68.77	418.81	9.04	-59.73
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012593294	1	51	0.0	-68.65	417.40	9.02	-59.63
COC1CCN(C(=O)NCC2CC[N@H+](CC(C)C)C2)C(C(=O)[O-])C1	REAL300012593295	0	55	0.0	-83.30	399.41	8.41	-74.89
COC1CCN(C(=O)NCC2CC[N@@H+](CC(C)C)C2)C(C(=O)[O-])C1	REAL300012593295	1	55	0.0	-83.65	400.04	8.66	-74.99
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012593296	0	55	0.0	-73.28	409.38	6.42	-66.86
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012593296	1	55	0.0	-71.17	402.92	6.13	-65.04
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC(C)CC2C(=O)[O-])C1	REAL300012593297	0	54	0.0	-83.07	383.89	9.95	-73.12
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC(C)CC2C(=O)[O-])C1	REAL300012593297	1	54	0.0	-82.09	382.88	9.63	-72.46
CC1=CC(C(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])=CC=C1F	REAL300012593298	0	54	0.0	-71.01	422.31	9.21	-61.80
CC1=CC(C(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])=CC=C1F	REAL300012593298	1	54	0.0	-71.48	422.50	9.15	-62.33
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012593299	0	56	0.0	-73.09	431.07	8.29	-64.80
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012593299	1	56	0.0	-74.55	430.71	8.29	-66.26
CC1=CC(C)=CC(C(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])=C1	REAL300012593300	0	57	0.0	-75.05	438.77	9.88	-65.17
CC1=CC(C)=CC(C(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])=C1	REAL300012593300	1	57	0.0	-75.38	437.59	9.77	-65.61
CC1=CC=C(C(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1C	REAL300012593301	0	57	0.0	-74.81	434.03	9.75	-65.06
CC1=CC=C(C(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])C=C1C	REAL300012593301	1	57	0.0	-76.11	434.41	9.57	-66.54
COC1=CC=C(C(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])C=C1Cl	REAL300012593302	0	55	0.0	-74.41	440.56	8.22	-66.19
COC1=CC=C(C(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1Cl	REAL300012593302	1	55	0.0	-72.11	441.72	8.33	-63.78
CC1=CC=CC(C(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])=C1C	REAL300012593303	0	57	0.0	-74.98	426.17	9.50	-65.48
CC1=CC=CC(C(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])=C1C	REAL300012593303	1	57	0.0	-74.66	428.27	9.51	-65.15
COC1=CC=C(C(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])C=C1F	REAL300012593304	0	55	0.0	-75.56	431.49	7.82	-67.74
COC1=CC=C(C(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1F	REAL300012593304	1	55	0.0	-72.31	431.93	7.85	-64.46
CC(C)C[N@@H+]1CCC(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)C1	REAL300012593305	0	54	0.0	-50.48	386.06	10.25	-40.23
CC(C)C[N@H+]1CCC(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)C1	REAL300012593305	1	54	0.0	-54.59	387.61	9.95	-44.64
CCCN(C(=O)NCC1CC[N@H+](CC(C)C)C1)C(COC)C(=O)[O-]	REAL300012593306	0	57	0.0	-72.50	415.90	8.45	-64.05
CCCN(C(=O)NCC1CC[N@@H+](CC(C)C)C1)C(COC)C(=O)[O-]	REAL300012593306	1	57	0.0	-72.08	417.26	8.55	-63.53
CCCN(C(=O)NCC1CC[N@H+](CC(C)C)C1)C(CC)C(=O)[O-]	REAL300012593307	0	56	0.0	-62.01	404.69	9.80	-52.21
CCCN(C(=O)NCC1CC[N@@H+](CC(C)C)C1)C(CC)C(=O)[O-]	REAL300012593307	1	56	0.0	-71.49	406.56	10.00	-61.49
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012593308	0	51	0.0	-81.14	368.57	9.35	-71.79
CC(C)C[N@H+]1CCC(CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012593308	1	51	0.0	-82.16	369.18	9.51	-72.65
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012593309	0	51	0.0	-70.79	411.91	8.98	-61.81
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012593309	1	51	0.0	-71.23	411.77	8.90	-62.33
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012593310	0	49	0.0	-79.31	368.81	9.42	-69.89
CC(C)C[N@H+]1CCC(CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012593310	1	49	0.0	-79.91	368.82	9.27	-70.64
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012593311	0	54	0.0	-75.39	388.52	8.59	-66.80
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012593311	1	54	0.0	-76.93	388.80	8.66	-68.27
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012593312	0	51	0.0	-77.03	374.37	7.45	-69.58
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012593312	1	51	0.0	-75.24	373.86	7.50	-67.74
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012593313	0	57	0.0	-75.19	398.36	9.09	-66.10
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012593313	1	57	0.0	-77.65	394.45	9.32	-68.33
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593314	0	54	0.0	-74.31	418.02	9.40	-64.91
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593314	1	54	0.0	-75.45	418.23	9.32	-66.13
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012593315	0	54	0.0	-58.60	409.89	10.92	-47.68
CC(C)C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012593315	1	54	0.0	-59.73	415.81	11.10	-48.63
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593316	0	51	0.0	-73.97	394.97	8.52	-65.45
CC(C)C[N@H+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593316	1	51	0.0	-75.03	395.77	8.45	-66.58
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593317	0	51	0.0	-74.41	395.16	8.45	-65.96
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593317	1	51	0.0	-74.26	394.41	8.40	-65.86
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593318	0	54	0.0	-74.31	418.02	9.40	-64.91
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593318	1	54	0.0	-75.45	418.23	9.32	-66.13
CCC(C)C(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593319	0	53	0.0	-73.94	390.38	7.30	-66.64
CCC(C)C(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593319	1	53	0.0	-73.12	393.97	7.59	-65.53
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012593320	0	51	0.0	-81.14	368.57	9.35	-71.79
CC(C)C[N@H+]1CCC(CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012593320	1	51	0.0	-82.16	369.18	9.51	-72.65
CCCC(C)(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593321	0	53	0.0	-73.16	384.52	7.42	-65.74
CCCC(C)(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593321	1	53	0.0	-72.22	385.23	7.52	-64.70
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC(C)C)C1	REAL300012593322	0	53	0.0	-59.66	392.96	9.37	-50.29
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC(C)C)C1	REAL300012593322	1	53	0.0	-59.49	393.46	9.25	-50.24
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012593323	0	55	0.0	-80.38	409.01	11.23	-69.15
CC(C)C[N@H+]1CCC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012593323	1	55	0.0	-82.41	407.11	11.57	-70.84
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012593324	0	51	0.0	-74.34	372.67	7.50	-66.84
CC(C)C[N@H+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012593324	1	51	0.0	-74.00	372.95	7.45	-66.55
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012593325	0	48	0.0	-72.53	386.76	7.54	-64.99
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012593325	1	48	0.0	-73.00	386.67	7.45	-65.55
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012593326	0	54	0.0	-75.39	388.52	8.59	-66.80
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012593326	1	54	0.0	-76.93	388.80	8.66	-68.27
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012593327	0	54	0.0	-56.46	432.66	11.72	-44.74
CC(C)C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012593327	1	54	0.0	-57.25	433.52	11.63	-45.62
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012593328	0	58	0.0	-74.89	446.55	9.47	-65.42
CC(C)C[N@H+]1CCC(CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012593328	1	58	0.0	-75.70	446.15	9.45	-66.25
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593329	0	53	0.0	-74.34	390.12	7.26	-67.08
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593329	1	53	0.0	-72.98	390.28	7.34	-65.64
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012593330	0	51	0.0	-77.03	374.37	7.45	-69.58
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012593330	1	51	0.0	-75.24	373.86	7.50	-67.74
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012593331	0	54	0.0	-56.63	422.34	11.27	-45.36
CC(C)C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012593331	1	54	0.0	-57.56	422.22	11.17	-46.39
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012593332	0	55	0.0	-76.99	414.89	9.73	-67.26
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012593332	1	55	0.0	-75.39	414.48	9.72	-65.67
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012593333	0	51	0.0	-75.11	407.08	8.58	-66.53
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012593333	1	51	0.0	-75.11	405.85	8.52	-66.59
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593334	0	54	0.0	-74.28	403.56	9.24	-65.04
CC(C)C[N@H+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593334	1	54	0.0	-75.64	403.68	9.17	-66.47
CCCCCCC(C)(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593335	0	62	0.0	-73.34	449.01	9.75	-63.59
CCCCCCC(C)(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593335	1	62	0.0	-72.31	449.75	9.83	-62.48
CC(C)C[N@@H+]1CCC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593336	0	57	0.0	-73.80	427.94	11.35	-62.45
CC(C)C[N@H+]1CCC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593336	1	57	0.0	-73.59	428.29	11.46	-62.13
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012593337	0	51	0.0	-70.79	411.91	8.98	-61.81
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012593337	1	51	0.0	-71.23	411.77	8.90	-62.33
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012593338	0	49	0.0	-79.14	360.77	6.90	-72.24
CC(C)C[N@H+]1CCC(CNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012593338	1	49	0.0	-79.59	360.42	6.87	-72.72
CC(C)C[N@@H+]1CCC(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012593339	0	57	0.0	-77.06	397.79	9.88	-67.18
CC(C)C[N@H+]1CCC(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012593339	1	57	0.0	-78.76	398.06	9.97	-68.79
CC(C)C[N@@H+]1CCC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012593340	0	57	0.0	-58.99	433.12	11.77	-47.22
CC(C)C[N@H+]1CCC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012593340	1	57	0.0	-60.49	439.19	11.89	-48.60
CC(C)C[N@@H+]1CCC(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593341	0	54	0.0	-79.08	406.16	10.01	-69.07
CC(C)C[N@H+]1CCC(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593341	1	54	0.0	-73.20	402.98	9.95	-63.25
COCCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC(C)C)C1	REAL300012593342	0	51	0.0	-60.40	388.18	7.28	-53.12
COCCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC(C)C)C1	REAL300012593342	1	51	0.0	-60.81	388.92	7.37	-53.44
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012593343	0	55	0.0	-78.84	410.44	9.56	-69.28
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012593343	1	55	0.0	-79.44	410.07	9.49	-69.95
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012593344	0	51	0.0	-81.54	368.85	9.38	-72.16
CC(C)C[N@H+]1CCC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012593344	1	51	0.0	-80.88	368.42	9.26	-71.62
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012593345	0	51	0.0	-79.44	375.26	8.80	-70.64
CC(C)C[N@H+]1CCC(CNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012593345	1	51	0.0	-79.40	374.78	8.75	-70.65
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012593346	0	58	0.0	-81.94	451.73	9.27	-72.67
CC(C)C[N@H+]1CCC(CNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012593346	1	58	0.0	-81.08	451.69	9.28	-71.80
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012593347	0	54	0.0	-79.23	383.91	10.18	-69.05
CC(C)C[N@H+]1CCC(CNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012593347	1	54	0.0	-79.07	383.03	10.26	-68.81
CCCCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593348	0	53	0.0	-73.25	401.88	7.84	-65.41
CCCCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593348	1	53	0.0	-71.97	402.35	8.00	-63.97
CC(C)C[N@@H+]1CCC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012593349	0	57	0.0	-58.99	433.12	11.77	-47.22
CC(C)C[N@H+]1CCC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012593349	1	57	0.0	-60.49	439.19	11.89	-48.60
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012593350	0	51	0.0	-77.59	374.87	8.82	-68.77
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012593350	1	51	0.0	-79.57	375.07	8.82	-70.75
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012593351	0	54	0.0	-58.31	393.68	9.69	-48.62
CC(C)C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012593351	1	54	0.0	-58.73	394.12	9.68	-49.05
COCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593352	0	48	0.0	-74.59	371.23	4.53	-70.06
COCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593352	1	48	0.0	-74.21	370.96	4.62	-69.59
CCCCCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593353	0	56	0.0	-73.47	424.35	8.62	-64.85
CCCCCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593353	1	56	0.0	-72.02	423.87	8.77	-63.25
CCC1CCC(NC(=O)NCC2CC[N@H+](CC(C)C)C2)(C(=O)[O-])CC1	REAL300012593354	0	60	0.0	-72.75	421.09	9.13	-63.62
CCC1CCC(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)(C(=O)[O-])CC1	REAL300012593354	1	60	0.0	-75.91	428.20	9.84	-66.07
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012593355	0	55	0.0	-59.88	401.74	8.10	-51.78
CC(C)C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012593355	1	55	0.0	-59.62	401.63	8.00	-51.62
CC(C)C[N@@H+]1CCC(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012593356	0	54	0.0	-79.01	384.87	9.15	-69.86
CC(C)C[N@H+]1CCC(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012593356	1	54	0.0	-79.51	384.32	9.18	-70.33
CC(C)C[N@@H+]1CCC(CNC(=O)N(C(C)C(=O)[O-])C2CC2)C1	REAL300012593357	0	51	0.0	-60.91	376.51	8.97	-51.94
CC(C)C[N@H+]1CCC(CNC(=O)N(C(C)C(=O)[O-])C2CC2)C1	REAL300012593357	1	51	0.0	-71.88	373.65	9.01	-62.87
CCC(C(=O)[O-])N(C(=O)NCC1CC[N@H+](CC(C)C)C1)C1CC1	REAL300012593358	0	54	0.0	-73.16	390.82	9.93	-63.23
CCC(C(=O)[O-])N(C(=O)NCC1CC[N@@H+](CC(C)C)C1)C1CC1	REAL300012593358	1	54	0.0	-59.83	397.45	10.07	-49.76
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012593359	0	51	0.0	-76.57	408.14	8.91	-67.66
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012593359	1	51	0.0	-75.64	405.71	8.82	-66.82
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012593360	0	51	0.0	-80.50	400.57	8.57	-71.93
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012593360	1	51	0.0	-79.42	399.16	8.49	-70.93
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012593361	0	55	0.0	-63.47	410.87	10.73	-52.74
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012593361	1	55	0.0	-61.27	409.95	10.88	-50.39
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012593362	0	54	0.0	-77.24	432.13	9.72	-67.52
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012593362	1	54	0.0	-78.77	433.24	9.72	-69.05
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012593363	0	60	0.0	-78.10	460.87	11.53	-66.57
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012593363	1	60	0.0	-79.12	461.80	11.43	-67.69
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012593364	0	60	0.0	-72.63	439.33	9.58	-63.05
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012593364	1	60	0.0	-73.80	439.01	9.57	-64.23
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012593365	0	57	0.0	-60.38	427.76	12.09	-48.29
CC(C)C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012593365	1	57	0.0	-58.93	428.67	11.92	-47.01
CC1=CC=C(C(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300012593366	0	54	0.0	-74.62	417.14	9.13	-65.49
CC1=CC=C(C(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300012593366	1	54	0.0	-74.95	416.42	9.04	-65.91
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012593367	0	47	0.0	-67.11	375.52	7.09	-60.02
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012593367	1	47	0.0	-67.42	374.95	7.02	-60.40
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012593368	0	57	0.0	-75.54	440.90	10.80	-64.74
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012593368	1	57	0.0	-76.27	441.48	10.66	-65.61
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012593369	0	52	0.0	-72.12	386.79	8.26	-63.86
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012593369	1	52	0.0	-71.63	386.05	8.29	-63.34
COCC(C)(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593370	0	51	0.0	-78.08	382.23	5.96	-72.12
COCC(C)(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593370	1	51	0.0	-75.79	381.39	6.05	-69.74
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC(C)C)C1	REAL300012593371	0	54	0.0	-70.69	402.36	7.73	-62.96
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC(C)C)C1	REAL300012593371	1	54	0.0	-70.20	400.89	7.74	-62.46
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC(C)C)C1	REAL300012593372	0	53	0.0	-59.66	392.96	9.37	-50.29
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC(C)C)C1	REAL300012593372	1	53	0.0	-59.49	393.46	9.25	-50.24
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC(C)C)C1	REAL300012593373	0	60	0.0	-58.16	437.68	11.61	-46.55
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC(C)C)C1	REAL300012593373	1	60	0.0	-58.13	436.55	11.64	-46.49
CC(C)C[N@@H+]1CCC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012593374	0	50	0.0	-59.93	397.16	9.34	-50.59
CC(C)C[N@H+]1CCC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012593374	1	50	0.0	-59.21	397.42	9.25	-49.96
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012593375	0	49	0.0	-71.21	364.62	4.85	-66.36
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012593375	1	49	0.0	-71.57	364.60	4.90	-66.67
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012593376	0	57	0.0	-71.49	414.77	8.79	-62.70
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012593376	1	57	0.0	-75.12	418.52	8.75	-66.37
CC(C)C[N@@H+]1CCC(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012593377	0	58	0.0	-71.62	428.42	9.10	-62.52
CC(C)C[N@H+]1CCC(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012593377	1	58	0.0	-72.90	429.26	9.16	-63.74
CC(C)C[N@@H+]1CCC(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012593378	0	58	0.0	-81.86	434.33	12.41	-69.45
CC(C)C[N@H+]1CCC(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012593378	1	58	0.0	-82.28	434.29	12.38	-69.90
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012593379	0	52	0.0	-75.26	380.55	6.11	-69.15
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012593379	1	52	0.0	-74.65	379.79	6.10	-68.55
C=CCCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593380	0	51	0.0	-71.85	393.69	7.77	-64.08
C=CCCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593380	1	51	0.0	-72.48	393.33	7.64	-64.84
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C1	REAL300012593381	0	57	0.0	-54.66	427.03	12.25	-42.41
CC(C)C[N@H+]1CCC(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C1	REAL300012593381	1	57	0.0	-77.91	422.91	11.87	-66.04
CCC(CC)(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593382	0	53	0.0	-74.12	380.18	7.58	-66.54
CCC(CC)(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593382	1	53	0.0	-72.58	379.81	7.63	-64.95
COC1=CC=C(C(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300012593383	0	55	0.0	-74.60	424.51	7.66	-66.94
COC1=CC=C(C(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300012593383	1	55	0.0	-73.73	424.42	7.82	-65.91
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC(C)C)C1	REAL300012593384	0	53	0.0	-58.86	388.50	9.44	-49.42
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC(C)C)C1	REAL300012593384	1	53	0.0	-59.31	388.66	9.54	-49.77
CCC(COC)(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593385	0	54	0.0	-78.70	397.95	6.85	-71.85
CCC(COC)(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593385	1	54	0.0	-77.68	398.44	6.95	-70.73
CC(C)C[N@@H+]1CCC(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])C1	REAL300012593386	0	57	0.0	-70.16	420.89	8.51	-61.65
CC(C)C[N@H+]1CCC(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])C1	REAL300012593386	1	57	0.0	-70.57	422.02	8.41	-62.16
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012593387	0	54	0.0	-77.95	406.13	4.61	-73.34
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012593387	1	54	0.0	-76.57	404.91	4.59	-71.98
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012593388	0	51	0.0	-72.63	390.82	7.97	-64.66
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012593388	1	51	0.0	-72.98	390.76	7.80	-65.18
COCCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593389	0	51	0.0	-73.69	393.53	5.36	-68.33
COCCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593389	1	51	0.0	-72.65	393.27	5.45	-67.20
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC(C)C)C1	REAL300012593390	0	56	0.0	-69.43	408.70	9.81	-59.62
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC(C)C)C1	REAL300012593390	1	56	0.0	-69.62	407.32	9.70	-59.92
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012593391	0	47	0.0	-71.60	371.70	6.74	-64.86
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012593391	1	47	0.0	-68.98	370.47	6.82	-62.16
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@H+](CC(C)C)C1	REAL300012593392	0	57	0.0	-83.09	413.45	10.81	-72.28
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@@H+](CC(C)C)C1	REAL300012593392	1	57	0.0	-79.69	412.60	10.68	-69.01
CCCN(C(=O)NCC1CC[N@H+](CC(C)C)C1)C(C)C(=O)[O-]	REAL300012593393	0	53	0.0	-51.75	390.54	9.84	-41.91
CCCN(C(=O)NCC1CC[N@@H+](CC(C)C)C1)C(C)C(=O)[O-]	REAL300012593393	1	53	0.0	-54.56	390.68	9.78	-44.78
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012593394	0	57	0.0	-53.51	425.17	12.21	-41.30
CC(C)C[N@H+]1CCC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012593394	1	57	0.0	-54.18	427.64	11.98	-42.20
CCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012593395	0	57	0.0	-73.11	437.46	10.54	-62.57
CCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012593395	1	57	0.0	-72.29	436.70	10.66	-61.63
CCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012593396	0	57	0.0	-75.97	419.81	10.05	-65.92
CCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012593396	1	57	0.0	-74.50	419.83	10.11	-64.39
COC1CCCC(C(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])C1	REAL300012593397	0	61	0.0	-72.99	443.48	7.68	-65.31
COC1CCCC(C(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])C1	REAL300012593397	1	61	0.0	-76.00	448.45	7.91	-68.09
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012593398	0	47	0.0	-71.29	366.18	6.53	-64.76
CC(C)C[N@H+]1CCC(CNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012593398	1	47	0.0	-72.34	366.45	6.44	-65.90
COC1(CC(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])CCC1	REAL300012593399	0	58	0.0	-73.70	426.20	7.58	-66.12
COC1(CC(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])CCC1	REAL300012593399	1	58	0.0	-75.21	429.86	7.62	-67.59
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012593400	0	55	0.0	-59.88	401.74	8.10	-51.78
CC(C)C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012593400	1	55	0.0	-59.62	401.63	8.00	-51.62
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012593401	0	57	0.0	-58.74	411.05	10.39	-48.35
CC(C)C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012593401	1	57	0.0	-59.29	410.53	10.38	-48.91
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300012593402	0	57	0.0	-76.91	402.37	8.96	-67.95
CC(C)C[N@H+]1CCC(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300012593402	1	57	0.0	-77.20	402.17	8.89	-68.31
COC1=CC=CC(C(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])=C1	REAL300012593403	0	55	0.0	-76.91	424.29	7.74	-69.17
COC1=CC=CC(C(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])=C1	REAL300012593403	1	55	0.0	-76.66	425.45	7.85	-68.81
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012593404	0	50	0.0	-68.99	370.35	6.90	-62.09
CC(C)C[N@H+]1CCC(CNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012593404	1	50	0.0	-70.35	370.58	6.82	-63.53
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012593405	0	52	0.0	-64.74	392.49	9.05	-55.69
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012593405	1	52	0.0	-61.85	392.50	9.07	-52.78
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012593406	0	48	0.0	-73.00	371.52	8.12	-64.88
CC(C)C[N@H+]1CCC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012593406	1	48	0.0	-72.82	372.71	8.04	-64.78
COC1=CC=CC([C@H](NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])=C1	REAL300012593407	0	55	0.0	-77.17	424.54	7.66	-69.51
COC1=CC=CC([C@H](NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])=C1	REAL300012593407	1	55	0.0	-75.96	424.67	7.72	-68.24
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2CC[N@H+](CC(C)C)C2)C1	REAL300012593408	0	57	0.0	-75.65	424.71	9.19	-66.46
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2CC[N@@H+](CC(C)C)C2)C1	REAL300012593408	1	57	0.0	-79.75	423.46	9.99	-69.76
COC1=CC=CC(CC(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])=C1	REAL300012593409	0	58	0.0	-73.83	446.47	8.69	-65.14
COC1=CC=CC(CC(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])=C1	REAL300012593409	1	58	0.0	-73.48	446.57	8.78	-64.70
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012593410	0	60	0.0	-77.93	416.46	9.45	-68.48
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012593410	1	60	0.0	-76.50	416.30	9.47	-67.03
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012593411	0	49	0.0	-83.38	364.77	8.99	-74.39
CC(C)C[N@H+]1CCC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012593411	1	49	0.0	-84.19	365.19	8.92	-75.27
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012593412	0	57	0.0	-72.11	437.23	10.11	-62.00
CC(C)C[N@H+]1CCC(CNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012593412	1	57	0.0	-73.17	438.10	10.03	-63.14
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012593413	0	56	0.0	-78.54	432.19	9.92	-68.62
CC(C)C[N@H+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012593413	1	56	0.0	-79.34	431.92	9.87	-69.47
COC1CN(C(=O)NCC2CC[N@H+](CC(C)C)C2)C(C)(C(=O)[O-])C1	REAL300012593414	0	55	0.0	-79.53	408.02	7.74	-71.79
COC1CN(C(=O)NCC2CC[N@@H+](CC(C)C)C2)C(C)(C(=O)[O-])C1	REAL300012593414	1	55	0.0	-74.86	407.66	7.85	-67.01
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012593415	0	58	0.0	-72.95	430.38	7.22	-65.73
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012593415	1	58	0.0	-72.67	426.05	7.80	-64.87
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012593416	0	53	0.0	-74.03	390.22	7.45	-66.58
CC(C)C[N@H+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012593416	1	53	0.0	-74.65	390.15	7.43	-67.22
C=C(Cl)CC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593417	0	48	0.0	-72.22	387.98	7.51	-64.71
C=C(Cl)CC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593417	1	48	0.0	-74.03	388.09	7.36	-66.67
C=C(C)CC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593418	0	51	0.0	-71.38	392.07	7.61	-63.77
C=C(C)CC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593418	1	51	0.0	-74.31	392.76	7.67	-66.64
CC(C)C[N@@H+]1CCC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012593419	0	52	0.0	-86.03	379.74	9.75	-76.28
CC(C)C[N@H+]1CCC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012593419	1	52	0.0	-88.24	380.48	9.66	-78.58
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012593420	0	57	0.0	-72.70	426.92	9.66	-63.04
CC(C)C[N@H+]1CCC(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012593420	1	57	0.0	-73.14	426.80	9.57	-63.57
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012593421	0	48	0.0	-72.45	370.91	8.44	-64.01
CC(C)C[N@H+]1CCC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012593421	1	48	0.0	-72.94	371.05	8.43	-64.51
CC(C)C[N@@H+]1CCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012593422	0	48	0.0	-76.01	365.11	8.04	-67.97
CC(C)C[N@H+]1CCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012593422	1	48	0.0	-76.96	364.07	8.39	-68.57
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@@H+](CC(C)C)C2)C1	REAL300012593423	0	49	0.0	-79.20	372.41	8.30	-70.90
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@H+](CC(C)C)C2)C1	REAL300012593423	1	49	0.0	-79.45	371.91	8.35	-71.10
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012593424	0	58	0.0	-74.16	430.21	7.22	-66.94
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012593424	1	58	0.0	-73.85	427.09	7.77	-66.08
CC(C)C[C@H](NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593425	0	53	0.0	-73.38	397.73	7.62	-65.76
CC(C)C[C@H](NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593425	1	53	0.0	-72.44	397.76	7.69	-64.75
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012593426	0	55	0.0	-72.00	407.07	6.46	-65.54
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012593426	1	55	0.0	-73.35	406.95	6.37	-66.98
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593427	0	51	0.0	-74.41	395.16	8.45	-65.96
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593427	1	51	0.0	-74.26	394.41	8.40	-65.86
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012593428	0	51	0.0	-72.63	390.82	7.97	-64.66
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012593428	1	51	0.0	-72.98	390.76	7.80	-65.18
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012593429	0	50	0.0	-72.72	404.55	6.59	-66.13
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012593429	1	50	0.0	-74.43	404.78	6.51	-67.92
CC(C)CCCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593430	0	59	0.0	-73.32	440.94	9.14	-64.18
CC(C)CCCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593430	1	59	0.0	-72.47	441.69	9.21	-63.26
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012593431	0	57	0.0	-72.98	447.30	9.81	-63.17
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012593431	1	57	0.0	-77.49	446.78	9.77	-67.72
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012593432	0	55	0.0	-76.44	415.09	6.72	-69.72
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012593432	1	55	0.0	-77.16	414.16	6.66	-70.50
CSCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593433	0	48	0.0	-70.43	382.65	6.75	-63.68
CSCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593433	1	48	0.0	-69.91	382.41	6.82	-63.09
COC[C@H](NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593434	0	48	0.0	-74.40	370.26	4.52	-69.88
COC[C@H](NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593434	1	48	0.0	-74.24	371.26	4.55	-69.69
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012593435	0	54	0.0	-73.04	424.24	9.40	-63.64
CC(C)C[N@H+]1CCC(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012593435	1	54	0.0	-72.36	424.21	9.41	-62.95
CCC(C)CC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593436	0	56	0.0	-73.17	415.57	8.32	-64.85
CCC(C)CC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593436	1	56	0.0	-71.84	415.68	8.41	-63.43
C=CCCCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593437	0	54	0.0	-71.47	414.81	8.50	-62.97
C=CCCCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593437	1	54	0.0	-74.04	415.67	8.42	-65.62
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012593438	0	54	0.0	-70.91	423.00	9.47	-61.44
CC(C)C[N@H+]1CCC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012593438	1	54	0.0	-72.48	423.42	9.44	-63.04
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012593439	0	57	0.0	-78.34	436.04	10.61	-67.73
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012593439	1	57	0.0	-79.57	436.99	10.52	-69.05
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012593440	0	49	0.0	-79.31	368.81	9.42	-69.89
CC(C)C[N@H+]1CCC(CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012593440	1	49	0.0	-79.91	368.82	9.27	-70.64
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593441	0	54	0.0	-74.28	403.56	9.24	-65.04
CC(C)C[N@H+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593441	1	54	0.0	-75.64	403.68	9.17	-66.47
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012593442	0	52	0.0	-84.81	379.68	9.88	-74.93
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012593442	1	52	0.0	-84.48	379.14	9.85	-74.63
CCN(C(=O)NCC1CC[N@H+](CC(C)C)C1)C(C)(C)C(=O)[O-]	REAL300012593443	0	53	0.0	-76.61	383.61	9.07	-67.54
CCN(C(=O)NCC1CC[N@@H+](CC(C)C)C1)C(C)(C)C(=O)[O-]	REAL300012593443	1	53	0.0	-75.34	384.27	9.15	-66.19
CCCN(C(=O)NCC1CC[N@H+](CC(C)C)C1)C(C)C(=O)[O-]	REAL300012593444	0	53	0.0	-51.75	390.54	9.84	-41.91
CCCN(C(=O)NCC1CC[N@@H+](CC(C)C)C1)C(C)C(=O)[O-]	REAL300012593444	1	53	0.0	-54.56	390.68	9.78	-44.78
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012593445	0	47	0.0	-67.63	371.55	8.71	-58.92
CC(C)C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012593445	1	47	0.0	-68.83	371.43	8.61	-60.22
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012593446	0	47	0.0	-67.63	371.55	8.71	-58.92
CC(C)C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012593446	1	47	0.0	-68.83	371.43	8.61	-60.22
CC(C)C[N@@H+]1CCC(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012593447	0	60	0.0	-60.74	446.28	6.68	-54.06
CC(C)C[N@H+]1CCC(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012593447	1	60	0.0	-60.89	445.63	6.61	-54.28
CC(C)C[N@@H+]1CCC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012593448	0	49	0.0	-80.86	370.00	4.62	-76.24
CC(C)C[N@H+]1CCC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012593448	1	49	0.0	-82.10	369.59	4.54	-77.56
CC(C)C[N@@H+]1CCC(CNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])C1	REAL300012593449	1	64	0.0	-60.51	471.48	6.55	-53.96
CC(C)C[N@H+]1CCC(CNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])C1	REAL300012593449	1	64	0.0	-60.18	470.34	6.45	-53.73
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CC[N@@H+](CC(C)C)C1	REAL300012593450	0	55	0.0	-59.10	413.84	11.13	-47.97
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CC[N@H+](CC(C)C)C1	REAL300012593450	1	55	0.0	-58.87	412.80	11.02	-47.85
CC(C)C[N@@H+]1CCC(CNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C1	REAL300012593451	0	58	0.0	-62.11	422.19	11.52	-50.59
CC(C)C[N@H+]1CCC(CNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C1	REAL300012593451	1	58	0.0	-64.54	421.45	11.39	-53.15
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012593452	0	56	0.0	-72.57	415.11	9.52	-63.05
CC(C)C[N@H+]1CCC(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012593452	1	56	0.0	-70.62	414.51	9.58	-61.04
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593453	0	51	0.0	-73.97	394.97	8.52	-65.45
CC(C)C[N@H+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593453	1	51	0.0	-75.03	395.77	8.45	-66.58
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012593454	0	56	0.0	-73.94	435.30	8.40	-65.54
CC(C)C[N@H+]1CCC(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012593454	1	56	0.0	-75.92	436.14	8.33	-67.59
C=CCCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593455	0	51	0.0	-71.85	393.69	7.77	-64.08
C=CCCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593455	1	51	0.0	-72.48	393.33	7.64	-64.84
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012593456	0	50	0.0	-71.34	404.82	6.39	-64.95
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012593456	1	50	0.0	-71.36	404.09	6.30	-65.06
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012593457	0	51	0.0	-68.64	423.04	8.14	-60.50
CC(C)C[N@H+]1CCC(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012593457	1	51	0.0	-69.22	423.00	8.16	-61.06
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012593458	0	51	0.0	-88.74	388.84	5.87	-82.87
CC(C)C[N@H+]1CCC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012593458	1	51	0.0	-89.29	388.32	5.85	-83.44
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012593459	0	52	0.0	-73.93	386.55	7.71	-66.22
CC(C)C[N@H+]1CCC(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012593459	1	52	0.0	-74.33	385.49	7.50	-66.83
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012593460	0	51	0.0	-79.00	374.90	8.83	-70.17
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012593460	1	51	0.0	-78.65	375.12	8.79	-69.86
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593461	0	51	0.0	-73.64	395.17	8.44	-65.20
CC(C)C[N@H+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012593461	1	51	0.0	-74.86	395.01	8.36	-66.50
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012593462	0	54	0.0	-75.51	405.23	7.80	-67.71
CC(C)C[N@H+]1CCC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012593462	1	54	0.0	-76.40	404.45	7.71	-68.69
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012593463	0	54	0.0	-58.31	393.68	9.69	-48.62
CC(C)C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012593463	1	54	0.0	-58.73	394.12	9.68	-49.05
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593464	0	53	0.0	-74.34	390.12	7.26	-67.08
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593464	1	53	0.0	-72.98	390.28	7.34	-65.64
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012593465	0	52	0.0	-77.86	393.02	4.42	-73.44
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012593465	1	52	0.0	-76.63	392.20	4.38	-72.25
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300012593466	0	60	0.0	-73.77	439.84	7.50	-66.27
CC(C)C[N@H+]1CCC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300012593466	1	60	0.0	-75.88	443.37	7.59	-68.29
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)C1	REAL300012593467	0	54	0.0	-76.77	395.11	8.11	-68.66
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)C1	REAL300012593467	1	54	0.0	-77.30	393.89	8.11	-69.19
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012593468	0	57	0.0	-77.45	405.59	8.87	-68.58
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012593468	1	57	0.0	-78.24	405.36	8.79	-69.45
COCCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593469	0	51	0.0	-73.69	393.53	5.36	-68.33
COCCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593469	1	51	0.0	-72.65	393.27	5.45	-67.20
CC(C)C[N@@H+]1CCC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593470	0	57	0.0	-73.80	427.94	11.35	-62.45
CC(C)C[N@H+]1CCC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593470	1	57	0.0	-73.59	428.29	11.46	-62.13
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012593471	0	54	0.0	-77.73	396.53	8.82	-68.91
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012593471	1	54	0.0	-77.10	396.26	8.79	-68.31
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C1	REAL300012593472	0	61	0.0	-79.45	445.11	10.86	-68.59
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C1	REAL300012593472	1	61	0.0	-79.35	444.48	10.78	-68.57
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012593473	0	51	0.0	-74.73	380.49	7.71	-67.02
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012593473	1	51	0.0	-74.68	388.01	7.41	-67.27
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300012593474	0	60	0.0	-75.35	443.08	7.58	-67.77
CC(C)C[N@H+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300012593474	1	60	0.0	-74.09	442.79	7.67	-66.42
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012593475	0	49	0.0	-85.46	370.10	4.76	-80.70
CC(C)C[N@H+]1CCC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012593475	1	49	0.0	-86.69	369.67	4.69	-82.00
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012593476	0	59	0.0	-63.94	437.68	11.94	-52.00
CC(C)C[N@H+]1CCC(CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012593476	1	59	0.0	-65.45	437.24	11.91	-53.54
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012593477	0	52	0.0	-72.72	392.61	5.62	-67.10
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012593477	1	52	0.0	-76.33	386.25	5.33	-71.00
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012593478	0	52	0.0	-82.24	380.01	9.38	-72.86
CC(C)C[N@H+]1CCC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012593478	1	52	0.0	-83.45	380.93	9.42	-74.03
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012593479	0	55	0.0	-80.91	427.30	8.52	-72.39
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012593479	1	55	0.0	-82.62	428.17	8.43	-74.19
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012593480	0	50	0.0	-79.59	372.00	7.12	-72.47
CC(C)C[N@H+]1CCC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012593480	1	50	0.0	-79.45	371.82	7.17	-72.28
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC(C)CCC2C(=O)[O-])C1	REAL300012593481	0	54	0.0	-82.09	390.41	10.16	-71.93
CC(C)C[N@H+]1CCC(CNC(=O)N2CC(C)CCC2C(=O)[O-])C1	REAL300012593481	1	54	0.0	-81.92	389.42	9.87	-72.05
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012593482	0	57	0.0	-72.79	432.45	9.75	-63.04
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012593482	1	57	0.0	-73.66	433.41	9.65	-64.01
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012593483	0	58	0.0	-73.09	431.42	9.59	-63.50
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012593483	1	58	0.0	-74.15	427.93	10.10	-64.05
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012593484	0	51	0.0	-73.55	378.77	7.34	-66.21
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012593484	1	51	0.0	-73.12	379.03	7.28	-65.84
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012593485	0	64	0.0	-75.79	452.43	9.22	-66.57
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012593485	1	64	0.0	-74.34	452.23	9.23	-65.11
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012593486	0	57	0.0	-71.49	414.77	8.79	-62.70
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012593486	1	57	0.0	-75.12	418.52	8.75	-66.37
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012593487	0	51	0.0	-73.55	378.77	7.34	-66.21
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012593487	1	51	0.0	-73.12	379.03	7.28	-65.84
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC(C)C2C(=O)[O-])C1	REAL300012593488	0	51	0.0	-80.24	378.93	8.90	-71.34
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC(C)C2C(=O)[O-])C1	REAL300012593488	1	51	0.0	-79.43	379.00	8.54	-70.89
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012593489	0	58	0.0	-73.04	431.23	8.09	-64.95
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012593489	1	58	0.0	-72.83	431.87	8.09	-64.74
CC(C)C[N@@H+]1CCC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012593490	0	58	0.0	-53.50	405.41	10.10	-43.40
CC(C)C[N@H+]1CCC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012593490	1	58	0.0	-52.74	404.18	10.14	-42.60
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012593491	0	58	0.0	-76.54	409.39	7.33	-69.21
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012593491	1	58	0.0	-75.51	408.88	7.39	-68.12
CC1=CC=CC2=C1CCN(C(=O)NCC1CC[N@@H+](CC(C)C)C1)C2C(=O)[O-]	REAL300012593492	0	58	0.0	-87.98	422.97	11.86	-76.12
CC1=CC=CC2=C1CCN(C(=O)NCC1CC[N@H+](CC(C)C)C1)C2C(=O)[O-]	REAL300012593492	1	58	0.0	-87.72	423.45	11.97	-75.75
CC(C)C[N@@H+]1CCC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012593493	0	52	0.0	-57.65	380.72	9.31	-48.34
CC(C)C[N@H+]1CCC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012593493	1	52	0.0	-56.07	380.79	9.29	-46.78
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012593494	0	58	0.0	-73.09	431.42	9.59	-63.50
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012593494	1	58	0.0	-74.15	427.93	10.10	-64.05
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012593495	0	54	0.0	-70.63	423.54	9.53	-61.10
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012593495	1	54	0.0	-71.03	423.43	9.44	-61.59
COC1CC(NC(=O)NCC2CC[N@H+](CC(C)C)C2)(C(=O)[O-])C1	REAL300012593496	0	52	0.0	-78.74	393.40	6.05	-72.69
COC1CC(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)(C(=O)[O-])C1	REAL300012593496	1	52	0.0	-73.56	392.48	6.01	-67.55
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012593497	0	48	0.0	-69.22	372.72	7.44	-61.78
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012593497	1	48	0.0	-74.54	368.89	7.11	-67.43
CO[C@H]1C[C@](NC(=O)NCC2CC[N@H+](CC(C)C)C2)(C(=O)[O-])C1	REAL300012593498	0	52	0.0	-73.77	392.65	5.95	-67.82
CO[C@H]1C[C@](NC(=O)NCC2CC[N@@H+](CC(C)C)C2)(C(=O)[O-])C1	REAL300012593498	1	52	0.0	-75.26	392.50	6.35	-68.91
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012593499	0	51	0.0	-76.09	399.52	8.08	-68.01
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012593499	1	51	0.0	-72.57	400.49	7.75	-64.82
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@H+](CC(C)C)C1	REAL300012593500	0	54	0.0	-79.89	388.47	9.65	-70.24
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@@H+](CC(C)C)C1	REAL300012593500	1	54	0.0	-81.98	388.51	10.03	-71.95
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012593501	0	47	0.0	-67.11	375.52	7.09	-60.02
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012593501	1	47	0.0	-67.42	374.95	7.02	-60.40
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012593502	0	55	0.0	-71.63	409.33	6.97	-64.66
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012593502	1	55	0.0	-74.37	414.93	6.49	-67.88
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012593503	0	51	0.0	-73.18	409.23	8.45	-64.73
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012593503	1	51	0.0	-72.90	409.48	8.30	-64.60
COCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012593504	0	58	0.0	-74.37	436.02	8.37	-66.00
COCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012593504	1	58	0.0	-72.89	435.92	8.41	-64.48
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C1	REAL300012593505	0	53	0.0	-72.09	378.05	7.38	-64.71
CC(C)C[N@H+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C1	REAL300012593505	1	53	0.0	-74.02	379.75	7.35	-66.67
CC(C)C[N@@H+]1CCC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012593506	0	49	0.0	-83.03	364.97	9.48	-73.55
CC(C)C[N@H+]1CCC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012593506	1	49	0.0	-82.74	365.05	9.46	-73.28
CC(C)C[N@@H+]1CCC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012593507	0	52	0.0	-81.43	380.98	8.87	-72.56
CC(C)C[N@H+]1CCC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012593507	1	52	0.0	-79.86	380.89	9.05	-70.81
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012593508	0	57	0.0	-53.51	425.17	12.21	-41.30
CC(C)C[N@H+]1CCC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012593508	1	57	0.0	-54.18	427.64	11.98	-42.20
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012593509	0	60	0.0	-72.63	439.33	9.58	-63.05
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012593509	1	60	0.0	-73.80	439.01	9.57	-64.23
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593510	0	57	0.0	-73.08	440.44	10.16	-62.92
CC(C)C[N@H+]1CCC(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593510	1	57	0.0	-74.42	440.29	10.08	-64.34
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593511	0	57	0.0	-74.39	440.83	10.13	-64.26
CC(C)C[N@H+]1CCC(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593511	1	57	0.0	-73.86	440.77	10.11	-63.75
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012593512	0	58	0.0	-75.82	418.49	9.09	-66.73
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012593512	1	58	0.0	-75.93	421.21	8.99	-66.94
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012593513	0	60	0.0	-73.84	439.41	9.59	-64.25
CC(C)C[N@H+]1CCC(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012593513	1	60	0.0	-73.48	439.63	9.58	-63.90
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012593514	0	60	0.0	-72.01	438.53	9.59	-62.42
CC(C)C[N@H+]1CCC(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012593514	1	60	0.0	-73.53	438.86	9.53	-64.00
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012593515	0	58	0.0	-55.48	420.61	10.20	-45.28
CC(C)C[N@H+]1CCC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012593515	1	58	0.0	-55.42	419.91	10.20	-45.22
CC(C)C[N@@H+]1CCC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012593516	0	58	0.0	-81.36	417.21	10.19	-71.17
CC(C)C[N@H+]1CCC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012593516	1	58	0.0	-80.31	415.10	10.06	-70.25
COC1=CC=C(CC(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300012593517	0	58	0.0	-74.72	446.70	8.63	-66.09
COC1=CC=C(CC(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300012593517	1	58	0.0	-72.53	446.03	8.70	-63.83
C=CCSCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593518	0	52	0.0	-68.89	416.09	8.28	-60.61
C=CCSCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593518	1	52	0.0	-70.60	416.61	8.17	-62.43
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012593519	0	55	0.0	-72.11	437.38	9.80	-62.31
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012593519	1	55	0.0	-74.78	439.06	9.70	-65.08
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[N@H+](CC(C)C)C1	REAL300012593520	0	53	0.0	-71.22	384.57	9.10	-62.12
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[N@@H+](CC(C)C)C1	REAL300012593520	1	53	0.0	-71.33	385.22	9.26	-62.07
COC1(C(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])CCC1	REAL300012593521	0	55	0.0	-76.30	406.15	6.02	-70.28
COC1(C(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])CCC1	REAL300012593521	1	55	0.0	-69.97	406.34	5.95	-64.02
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012593522	0	57	0.0	-75.54	414.38	8.68	-66.86
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012593522	1	57	0.0	-72.84	420.00	9.39	-63.45
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012593523	0	58	0.0	-77.59	426.79	10.47	-67.12
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012593523	1	58	0.0	-75.93	426.33	10.52	-65.41
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012593524	0	51	0.0	-73.16	390.33	7.87	-65.29
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012593524	1	51	0.0	-78.92	391.79	7.93	-70.99
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300012593526	0	63	0.0	-72.86	471.11	10.86	-62.00
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300012593526	1	63	0.0	-74.23	471.59	10.72	-63.51
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C1	REAL300012593527	0	60	0.0	-73.31	455.79	10.46	-62.85
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C1	REAL300012593527	1	60	0.0	-74.85	456.22	10.31	-64.54
CC(C)C[N@@H+]1CCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012593528	0	48	0.0	-76.01	365.11	8.04	-67.97
CC(C)C[N@H+]1CCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012593528	1	48	0.0	-76.96	364.07	8.39	-68.57
CC(C)C[N@@H+]1CCC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012593529	0	50	0.0	-56.98	373.62	9.09	-47.89
CC(C)C[N@H+]1CCC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012593529	1	50	0.0	-56.77	373.21	9.09	-47.68
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012593530	0	54	0.0	-81.04	394.00	8.91	-72.13
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012593530	1	54	0.0	-81.10	391.54	9.07	-72.03
CCOC1=CC=C(C(NC(=O)NCC2CC[N@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300012593531	0	58	0.0	-74.74	447.34	8.60	-66.14
CCOC1=CC=C(C(NC(=O)NCC2CC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300012593531	1	58	0.0	-73.89	446.53	8.69	-65.20
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012593532	0	58	0.0	-82.47	413.76	10.92	-71.55
CC(C)C[N@H+]1CCC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012593532	1	58	0.0	-83.51	414.76	11.14	-72.37
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012593533	0	58	0.0	-73.90	436.22	10.26	-63.64
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012593533	1	58	0.0	-80.29	434.76	10.54	-69.75
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593534	0	58	0.0	-78.94	438.18	9.50	-69.44
CC(C)C[N@H+]1CCC(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593534	1	58	0.0	-79.31	437.47	9.41	-69.90
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012593535	0	54	0.0	-70.24	426.06	9.61	-60.63
CC(C)C[N@H+]1CCC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012593535	1	54	0.0	-70.88	426.00	9.58	-61.30
CC(C)CCC(NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593536	0	56	0.0	-73.49	419.45	8.36	-65.13
CC(C)CCC(NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593536	1	56	0.0	-72.21	419.92	8.51	-63.70
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012593537	0	55	0.0	-55.30	404.87	9.82	-45.48
CC(C)C[N@H+]1CCC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012593537	1	55	0.0	-55.23	404.76	9.76	-45.47
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012593538	0	55	0.0	-71.63	409.33	6.97	-64.66
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012593538	1	55	0.0	-74.37	414.93	6.49	-67.88
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@H+](CC(C)C)C2)C1	REAL300012593539	0	52	0.0	-76.74	401.26	9.48	-67.26
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@@H+](CC(C)C)C2)C1	REAL300012593539	1	52	0.0	-76.40	400.88	9.44	-66.96
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012593540	0	55	0.0	-76.74	398.00	9.00	-67.74
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012593540	1	55	0.0	-77.38	397.86	8.88	-68.50
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012593541	0	52	0.0	-78.54	382.38	8.37	-70.17
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012593541	1	52	0.0	-79.08	382.25	8.27	-70.81
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012593542	0	55	0.0	-76.30	402.76	8.71	-67.59
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012593542	1	55	0.0	-78.69	408.78	8.87	-69.82
CC(C)C[N@@H+]1CCC(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593543	0	57	0.0	-72.87	425.99	11.33	-61.54
CC(C)C[N@H+]1CCC(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012593543	1	57	0.0	-73.92	427.92	11.26	-62.66
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012593544	0	61	0.0	-57.30	434.79	10.71	-46.59
CC(C)C[N@H+]1CCC(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012593544	1	61	0.0	-57.27	434.69	10.70	-46.57
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012593545	0	54	0.0	-71.72	398.22	8.01	-63.71
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012593545	1	54	0.0	-74.68	396.02	7.89	-66.79
CO[C@H](C)[C@H](NC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593546	0	51	0.0	-74.65	389.36	5.58	-69.07
CO[C@H](C)[C@H](NC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300012593546	1	51	0.0	-74.03	389.43	5.58	-68.45
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C1	REAL300012593547	0	51	0.0	-75.80	373.22	7.63	-68.17
CC(C)C[N@H+]1CCC(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C1	REAL300012593547	1	51	0.0	-78.39	381.85	8.13	-70.26
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012593548	0	54	0.0	-58.60	409.89	10.92	-47.68
CC(C)C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012593548	1	54	0.0	-59.73	415.81	11.10	-48.63
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012593549	0	54	0.0	-56.41	399.92	9.02	-47.39
CC(C)C[N@H+]1CCC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012593549	1	54	0.0	-57.60	398.52	8.99	-48.61
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012593550	0	55	0.0	-77.24	417.05	11.40	-65.84
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012593550	1	55	0.0	-58.81	421.43	11.01	-47.80
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012593551	0	51	0.0	-80.35	381.08	9.68	-70.67
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012593551	1	51	0.0	-79.68	380.09	9.37	-70.31
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012593552	0	48	0.0	-78.31	367.66	8.46	-69.85
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012593552	1	48	0.0	-82.95	370.20	8.12	-74.83
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012593553	0	54	0.0	-70.63	423.54	9.53	-61.10
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012593553	1	54	0.0	-71.03	423.43	9.44	-61.59
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012593554	0	51	0.0	-72.14	407.99	8.37	-63.77
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012593554	1	51	0.0	-73.52	408.14	8.24	-65.28
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012593555	0	51	0.0	-76.14	387.34	9.07	-67.07
CC(C)C[N@H+]1CCC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012593555	1	51	0.0	-77.12	387.73	9.03	-68.09
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012593556	0	55	0.0	-77.07	422.19	9.12	-67.95
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012593556	1	55	0.0	-77.77	422.07	9.06	-68.71
CC(C)C[N@@H+]1CCC(CNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012593557	0	59	0.0	-78.61	445.17	10.74	-67.87
CC(C)C[N@H+]1CCC(CNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012593557	1	59	0.0	-78.67	446.64	10.40	-68.27
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012593558	0	51	0.0	-72.14	407.99	8.37	-63.77
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012593558	1	51	0.0	-73.52	408.14	8.24	-65.28
CC(C)C[N@@H+]1CCC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012593559	0	55	0.0	-81.73	395.96	9.36	-72.37
CC(C)C[N@H+]1CCC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012593559	1	55	0.0	-82.67	395.29	9.40	-73.27
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CC(C)C[N@H+]1CCC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012593563	1	56	0.0	-74.30	410.67	8.73	-65.57
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012593564	0	55	0.0	-75.67	408.14	6.48	-69.19
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012593564	1	55	0.0	-76.34	410.13	6.85	-69.49
CC(C)C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012593565	0	55	0.0	-76.99	414.89	9.73	-67.26
CC(C)C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012593565	1	55	0.0	-75.39	414.48	9.72	-65.67
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CC(C)C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012593569	0	65	0.0	-77.43	452.17	10.49	-66.94
CC(C)C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012593569	1	65	0.0	-79.24	452.40	10.41	-68.83
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012593570	0	57	0.0	-77.15	447.96	9.64	-67.51
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012593570	1	57	0.0	-75.63	441.81	9.68	-65.95
CC(C)C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012593571	0	51	0.0	-61.08	398.63	9.35	-51.73
CC(C)C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012593571	1	51	0.0	-60.82	394.15	9.39	-51.43
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012593572	0	62	0.0	-82.14	430.87	10.15	-71.99
CC(C)C[N@H+]1CCC(CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012593572	1	62	0.0	-82.36	431.85	10.19	-72.17
CC(C)C[N@@H+]1CCC(CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012593573	0	53	0.0	-73.76	429.90	8.04	-65.72
CC(C)C[N@H+]1CCC(CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012593573	1	53	0.0	-70.97	430.00	7.94	-63.03
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CC[C@H](C)[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300012595165	0	56	0.0	-75.59	410.09	8.28	-67.31
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CC(NC(=O)NCCCCC[NH+]1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012595171	0	57	0.0	-78.38	424.47	10.20	-68.18
CCCCCCC(C)(NC(=O)NCCCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300012595172	0	65	0.0	-76.48	470.65	10.81	-65.67
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CCOCC(NC(=O)NCCCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300012595410	0	54	0.0	-77.53	414.23	6.56	-70.97
CC(C)(C)CC(NC(=O)NCCCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300012595411	0	59	0.0	-76.24	431.35	9.75	-66.49
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCCC1)C1CCCCO1	REAL300012595412	0	58	0.0	-78.70	431.76	7.90	-70.80
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCCC2)CC2=CC=CC=C2C1	REAL300012595413	0	58	0.0	-79.48	435.08	10.62	-68.86
C[C@H]1OCCN(C(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1C(=O)[O-]	REAL300012595414	0	55	0.0	-82.67	401.75	8.52	-74.15
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCCCCC[NH+]1CCCCC1	REAL300012595415	0	57	0.0	-75.84	422.53	10.26	-65.58
N#CCCC(NC(=O)NCCCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300012595416	0	51	0.0	-76.11	401.37	7.84	-68.27
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O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCCCCC[NH+]1CCCCC1	REAL300012595418	0	65	0.0	-85.28	452.23	11.13	-74.15
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CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCCC[NH+]2CCCCC2)C1	REAL300012595420	0	58	0.0	-82.93	435.57	8.95	-73.98
CCC1=NNC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012595797	0	53	0.0	-63.76	414.44	5.09	-58.67
CCC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=NN1	REAL300012595797	1	53	0.0	-67.78	414.50	5.09	-62.69
CC(C)C[C@H](NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595897	0	53	0.0	-70.43	400.95	8.69	-61.74
CC(C)C[C@H](NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595897	1	53	0.0	-70.02	402.01	9.12	-60.90
C=CCOCC(NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595898	0	52	0.0	-73.94	408.81	7.17	-66.77
C=CCOCC(NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595898	1	52	0.0	-72.16	408.28	7.18	-64.98
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CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012595900	0	55	0.0	-74.27	406.78	7.20	-67.07
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595900	1	55	0.0	-73.94	408.57	7.50	-66.44
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012595901	0	51	0.0	-65.08	410.43	9.59	-55.49
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595901	1	51	0.0	-66.82	410.03	9.56	-57.26
COC1CCN(C(=O)NCC(C)[N@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012595902	0	55	0.0	-80.62	402.39	9.38	-71.24
COC1CCN(C(=O)NCC(C)[N@@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012595902	1	55	0.0	-81.81	402.15	9.37	-72.44
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@H+](C)CC1=CC=CC=C1	REAL300012595903	0	55	0.0	-71.30	406.66	7.19	-64.11
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595903	1	55	0.0	-70.14	407.56	7.62	-62.52
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012595904	0	54	0.0	-79.46	385.90	10.61	-68.85
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012595904	1	54	0.0	-79.64	386.04	10.69	-68.95
CC1=CC(C(NC(=O)NCC(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300012595905	0	54	0.0	-68.38	425.08	10.14	-58.24
CC1=CC(C(NC(=O)NCC(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300012595905	1	54	0.0	-69.68	424.68	10.12	-59.56
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012595906	0	56	0.0	-71.43	434.26	9.29	-62.14
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595906	1	56	0.0	-71.15	435.14	9.68	-61.47
CC1=CC(C)=CC(C(NC(=O)NCC(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012595907	0	57	0.0	-73.19	441.19	10.78	-62.41
CC1=CC(C)=CC(C(NC(=O)NCC(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012595907	1	57	0.0	-72.38	441.41	10.78	-61.60
CC1=CC=C(C(NC(=O)NCC(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012595908	0	57	0.0	-71.11	436.14	10.68	-60.43
CC1=CC=C(C(NC(=O)NCC(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012595908	1	57	0.0	-72.58	435.75	10.64	-61.94
CC1=CC=CC(C(NC(=O)NCC(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012595909	0	57	0.0	-72.02	428.44	10.45	-61.57
CC1=CC=CC(C(NC(=O)NCC(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012595909	1	57	0.0	-71.82	428.62	10.48	-61.34
CCCN(CC(=O)[O-])C(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012595910	0	50	0.0	-50.92	381.62	9.94	-40.98
CCCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012595910	1	50	0.0	-52.69	381.94	9.96	-42.73
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012595911	0	54	0.0	-55.83	395.74	10.69	-45.14
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595911	1	54	0.0	-46.91	392.95	10.97	-35.94
CCCN(C(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(COC)C(=O)[O-]	REAL300012595912	0	57	0.0	-71.35	419.39	9.50	-61.85
CCCN(C(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(COC)C(=O)[O-]	REAL300012595912	1	57	0.0	-69.98	419.04	9.51	-60.47
CCCN(C(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012595913	0	56	0.0	-49.90	416.50	12.05	-37.85
CCCN(C(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012595913	1	56	0.0	-45.72	416.30	12.01	-33.71
CC(C)C(NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595914	0	50	0.0	-70.47	379.23	7.95	-62.52
CC(C)C(NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595914	1	50	0.0	-71.29	378.83	7.91	-63.38
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012595915	0	51	0.0	-80.94	372.51	10.57	-70.37
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012595915	1	51	0.0	-82.19	372.26	10.59	-71.60
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012595916	0	51	0.0	-67.38	414.45	9.99	-57.39
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595916	1	51	0.0	-69.45	415.78	10.34	-59.11
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012595917	0	49	0.0	-78.44	373.38	10.82	-67.62
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012595917	1	49	0.0	-78.89	371.93	10.34	-68.55
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012595918	0	54	0.0	-76.25	391.71	9.59	-66.66
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595918	1	54	0.0	-75.69	393.19	9.93	-65.76
CC(CNC(=O)N1CCCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012595919	0	48	0.0	-77.50	361.02	9.26	-68.24
CC(CNC(=O)N1CCCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012595919	1	48	0.0	-78.40	360.65	9.28	-69.12
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012595920	0	51	0.0	-73.08	378.06	8.78	-64.30
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595920	1	51	0.0	-75.28	378.67	8.83	-66.45
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012595921	0	57	0.0	-77.32	397.36	10.26	-67.06
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595921	1	57	0.0	-76.72	398.84	10.60	-66.12
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012595922	0	54	0.0	-73.42	420.38	10.45	-62.97
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012595922	1	54	0.0	-72.82	420.23	10.35	-62.47
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012595923	0	54	0.0	-50.75	419.11	12.19	-38.56
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595923	1	54	0.0	-54.31	418.73	12.15	-42.16
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012595924	0	51	0.0	-72.12	398.13	9.53	-62.59
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595924	1	51	0.0	-72.46	399.85	9.79	-62.67
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012595925	0	51	0.0	-70.37	397.72	9.47	-60.90
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595925	1	51	0.0	-71.81	397.33	9.44	-62.37
CCC(NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595926	0	47	0.0	-72.23	362.19	7.38	-64.85
CCC(NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595926	1	47	0.0	-70.42	361.56	7.40	-63.02
CC(C)C(NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595927	0	50	0.0	-70.47	379.23	7.95	-62.52
CC(C)C(NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595927	1	50	0.0	-71.29	378.83	7.91	-63.38
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012595928	0	54	0.0	-73.42	420.38	10.45	-62.97
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012595928	1	54	0.0	-72.82	420.23	10.35	-62.47
CCC(C)C(NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595929	0	53	0.0	-71.74	395.31	8.62	-63.12
CCC(C)C(NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595929	1	53	0.0	-72.82	393.04	8.30	-64.52
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012595930	0	51	0.0	-80.94	372.51	10.57	-70.37
CC(CNC(=O)N1CCCCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012595930	1	51	0.0	-82.19	372.26	10.59	-71.60
CCCC(C)(NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595931	0	53	0.0	-71.58	387.83	8.50	-63.08
CCCC(C)(NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595931	1	53	0.0	-70.21	387.43	8.46	-61.75
CC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012595932	0	50	0.0	-51.71	370.16	9.43	-42.28
CC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012595932	1	50	0.0	-55.91	369.78	9.42	-46.49
CC(CNC(=O)N(CC(=O)[O-])C1CC1)[N@H+](C)CC1=CC=CC=C1	REAL300012595933	0	48	0.0	-52.81	364.41	10.08	-42.73
CC(CNC(=O)N(CC(=O)[O-])C1CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595933	1	48	0.0	-55.90	367.42	9.61	-46.29
C=CCN(CC(=O)[O-])C(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012595934	0	48	0.0	-50.78	372.93	9.74	-41.04
C=CCN(CC(=O)[O-])C(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012595934	1	48	0.0	-52.46	373.25	9.76	-42.70
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012595935	0	53	0.0	-50.23	396.03	10.24	-39.99
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012595935	1	53	0.0	-51.97	396.34	10.26	-41.71
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012595936	0	55	0.0	-81.86	411.64	12.88	-68.98
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012595936	1	55	0.0	-82.32	411.51	12.90	-69.42
CC(CNC(=O)NC(C)(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012595937	0	47	0.0	-60.66	352.94	6.75	-53.91
CC(CNC(=O)NC(C)(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012595937	1	47	0.0	-60.88	352.54	6.72	-54.16
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[N@H+](C)CC1=CC=CC=C1	REAL300012595938	0	51	0.0	-73.63	377.33	8.84	-64.79
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595938	1	51	0.0	-72.46	376.10	8.51	-63.95
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[N@H+](C)CC1=CC=CC=C1	REAL300012595939	0	48	0.0	-69.14	389.95	8.53	-60.61
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595939	1	48	0.0	-70.24	391.22	8.95	-61.29
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012595940	0	54	0.0	-76.25	391.71	9.59	-66.66
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595940	1	54	0.0	-75.69	393.19	9.93	-65.76
CC(C)N(CC(=O)[O-])C(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012595941	0	50	0.0	-51.71	370.16	9.43	-42.28
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CCCN(CC(=O)[O-])C(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012595942	0	50	0.0	-50.92	381.62	9.94	-40.98
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CC(CNC(=O)N(C)C(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012595972	1	47	0.0	-67.37	352.32	8.29	-59.08
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CCCCC(NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012595973	1	53	0.0	-70.79	404.79	8.88	-61.91
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CC(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012595975	1	51	0.0	-75.92	378.29	9.84	-66.08
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012595976	0	54	0.0	-49.57	396.46	10.75	-38.82
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595976	1	54	0.0	-55.98	397.78	11.08	-44.90
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CC(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595981	1	54	0.0	-76.11	389.10	10.51	-65.60
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CC(CNC(=O)N(C(C)C(=O)[O-])C1CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012595982	1	51	0.0	-61.41	379.59	10.10	-51.31
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CC(CNC(=O)N(C)C(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596006	1	47	0.0	-67.37	352.32	8.29	-59.08
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CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012596017	0	57	0.0	-79.40	412.84	11.25	-68.15
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CC(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012596026	1	57	0.0	-74.05	406.96	10.31	-63.74
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CC(CNC(=O)NC(C)(CCF)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596028	1	50	0.0	-67.42	372.52	7.86	-59.56
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596029	0	52	0.0	-56.81	395.11	9.92	-46.89
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596029	1	52	0.0	-58.53	396.84	10.42	-48.11
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596030	0	48	0.0	-71.15	376.05	9.49	-61.66
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596030	1	48	0.0	-71.98	374.41	9.13	-62.85
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COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)[N@@H+](C)CC2=CC=CC=C2)C1	REAL300012596033	1	57	0.0	-79.39	426.70	11.18	-68.21
COC1=CC=CC(CC(NC(=O)NCC(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012596034	0	58	0.0	-75.94	450.16	9.66	-66.28
COC1=CC=CC(CC(NC(=O)NCC(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012596034	1	58	0.0	-75.67	451.39	10.04	-65.63
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@H+](C)CC1=CC=CC=C1	REAL300012596035	0	60	0.0	-77.84	419.50	10.45	-67.39
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012596035	1	60	0.0	-77.13	419.56	10.74	-66.39
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[N@H+](C)CC1=CC=CC=C1	REAL300012596036	0	49	0.0	-84.20	368.52	9.88	-74.32
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[N@@H+](C)CC1=CC=CC=C1	REAL300012596036	1	49	0.0	-81.91	367.92	10.29	-71.62
COC1CN(C(=O)NCC(C)[N@H+](C)CC2=CC=CC=C2)C(C)(C(=O)[O-])C1	REAL300012596037	0	55	0.0	-79.33	411.40	8.82	-70.51
COC1CN(C(=O)NCC(C)[N@@H+](C)CC2=CC=CC=C2)C(C)(C(=O)[O-])C1	REAL300012596037	1	55	0.0	-78.63	412.82	9.15	-69.48
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596038	0	58	0.0	-70.59	433.67	8.19	-62.40
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596038	1	58	0.0	-69.59	434.66	8.62	-60.97
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300012596039	0	53	0.0	-69.59	391.38	8.50	-61.09
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300012596039	1	53	0.0	-73.48	392.98	8.52	-64.96
C=C(Cl)CC(NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596040	0	48	0.0	-67.12	390.43	8.56	-58.56
C=C(Cl)CC(NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596040	1	48	0.0	-66.39	390.27	8.46	-57.93
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CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[N@@H+](C)CC1=CC=CC=C1	REAL300012596042	1	52	0.0	-85.46	384.84	11.02	-74.44
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596043	0	48	0.0	-71.60	373.97	9.42	-62.18
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596043	1	48	0.0	-72.89	374.41	9.17	-63.72
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596044	0	48	0.0	-75.65	367.53	9.35	-66.30
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596044	1	48	0.0	-76.47	367.16	9.37	-67.10
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@H+](C)CC2=CC=CC=C2)C1	REAL300012596045	0	49	0.0	-77.79	375.21	9.34	-68.45
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@@H+](C)CC2=CC=CC=C2)C1	REAL300012596045	1	49	0.0	-76.20	376.44	9.70	-66.50
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596046	0	58	0.0	-72.48	429.20	8.91	-63.57
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596046	1	58	0.0	-71.97	429.72	8.85	-63.12
CC(C)C[C@H](NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596047	0	53	0.0	-70.43	400.95	8.69	-61.74
CC(C)C[C@H](NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596047	1	53	0.0	-70.02	402.01	9.12	-60.90
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012596048	0	55	0.0	-74.27	406.78	7.20	-67.07
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012596048	1	55	0.0	-73.94	408.57	7.50	-66.44
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012596049	0	51	0.0	-70.37	397.72	9.47	-60.90
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012596049	1	51	0.0	-71.81	397.33	9.44	-62.37
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596050	0	51	0.0	-71.07	393.89	8.91	-62.16
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596050	1	51	0.0	-71.38	394.58	8.81	-62.57
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596051	0	50	0.0	-67.88	406.33	7.57	-60.31
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596051	1	50	0.0	-68.16	406.60	7.59	-60.57
CC(C)CCCC(NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596052	0	59	0.0	-72.11	444.26	10.22	-61.89
CC(C)CCCC(NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596052	1	59	0.0	-70.83	443.86	10.18	-60.65
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596053	0	55	0.0	-74.48	418.22	7.80	-66.68
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596053	1	55	0.0	-75.87	419.85	8.11	-67.76
CSCC(NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596054	0	48	0.0	-68.51	385.65	7.79	-60.72
CSCC(NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596054	1	48	0.0	-68.08	385.50	7.68	-60.40
COC[C@H](NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596055	0	48	0.0	-70.39	373.56	5.60	-64.79
COC[C@H](NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596055	1	48	0.0	-71.34	375.22	6.01	-65.33
CC[C@H](NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596056	0	47	0.0	-70.21	362.19	7.37	-62.84
CC[C@H](NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596056	1	47	0.0	-70.88	363.66	7.73	-63.15
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596057	0	54	0.0	-70.95	428.36	10.85	-60.10
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596057	1	54	0.0	-71.34	428.26	10.87	-60.47
CCC(C)CC(NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596058	0	56	0.0	-72.89	418.64	9.35	-63.54
CCC(C)CC(NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596058	1	56	0.0	-70.94	418.01	9.39	-61.55
C=CCCCC(NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596059	0	54	0.0	-72.19	418.00	9.49	-62.70
C=CCCCC(NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596059	1	54	0.0	-70.95	417.61	9.45	-61.50
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596060	0	54	0.0	-69.38	426.15	10.47	-58.91
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596060	1	54	0.0	-70.64	428.44	10.80	-59.84
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596061	0	49	0.0	-78.44	373.38	10.82	-67.62
CC(CNC(=O)N1CCSCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596061	1	49	0.0	-78.89	371.93	10.34	-68.55
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012596062	0	54	0.0	-71.35	406.42	10.22	-61.13
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012596062	1	54	0.0	-73.09	406.07	10.19	-62.90
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596063	0	48	0.0	-79.09	361.72	8.98	-70.11
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596063	1	48	0.0	-76.26	363.03	9.33	-66.93
CCCC(NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596064	0	50	0.0	-72.16	383.69	8.15	-64.01
CCCC(NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596064	1	50	0.0	-70.34	383.05	8.17	-62.17
CC(C)[C@@H](NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596065	0	50	0.0	-70.01	378.63	8.37	-61.64
CC(C)[C@@H](NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596065	1	50	0.0	-71.19	374.02	7.70	-63.49
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596066	0	52	0.0	-84.01	382.52	10.85	-73.16
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596066	1	52	0.0	-83.20	382.35	10.78	-72.42
CCN(C(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012596067	0	53	0.0	-75.31	386.59	10.14	-65.17
CCN(C(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012596067	1	53	0.0	-73.82	385.90	10.08	-63.74
CCCN(C(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012596068	0	53	0.0	-46.38	395.86	10.76	-35.62
CCCN(C(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012596068	1	53	0.0	-45.53	395.89	10.94	-34.59
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+](C)CC1=CC=CC=C1	REAL300012596069	0	47	0.0	-65.98	378.09	9.87	-56.11
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+](C)CC1=CC=CC=C1	REAL300012596069	1	47	0.0	-66.37	374.34	9.65	-56.72
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+](C)CC1=CC=CC=C1	REAL300012596070	0	47	0.0	-65.98	378.09	9.87	-56.11
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+](C)CC1=CC=CC=C1	REAL300012596070	1	47	0.0	-66.37	374.34	9.65	-56.72
CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596071	0	50	0.0	-75.34	367.36	9.26	-66.08
CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596071	1	50	0.0	-73.86	366.98	9.19	-64.67
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596072	0	48	0.0	-77.98	362.29	9.67	-68.31
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596072	1	48	0.0	-79.17	363.00	9.35	-69.82
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596073	0	60	0.0	-52.67	449.79	8.01	-44.66
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596073	1	60	0.0	-58.10	451.90	7.65	-50.45
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596074	0	49	0.0	-82.55	374.41	5.49	-77.06
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596074	1	49	0.0	-81.47	375.66	5.81	-75.66
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012596075	0	55	0.0	-78.87	412.28	13.29	-65.58
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012596075	1	55	0.0	-79.29	413.93	13.22	-66.07
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596076	0	58	0.0	-60.22	426.22	12.78	-47.44
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596076	1	58	0.0	-60.73	426.49	12.89	-47.84
CCC[C@@H](NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596077	0	50	0.0	-71.61	383.45	8.20	-63.41
CCC[C@@H](NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596077	1	50	0.0	-71.24	384.76	8.54	-62.70
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596078	0	56	0.0	-73.95	419.62	10.95	-63.00
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596078	1	56	0.0	-71.03	419.52	10.96	-60.07
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012596079	0	51	0.0	-72.12	398.13	9.53	-62.59
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012596079	1	51	0.0	-72.46	399.85	9.79	-62.67
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596080	0	56	0.0	-74.79	438.48	9.40	-65.39
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596080	1	56	0.0	-73.47	438.08	9.36	-64.11
C=CCCC(NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596081	0	51	0.0	-71.54	396.26	8.76	-62.78
C=CCCC(NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596081	1	51	0.0	-70.80	396.11	8.66	-62.14
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596082	0	50	0.0	-75.43	407.14	7.39	-68.04
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596082	1	50	0.0	-74.50	407.41	7.40	-67.10
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596083	0	51	0.0	-90.41	391.52	6.79	-83.62
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596083	1	51	0.0	-89.49	392.68	7.21	-82.28
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596084	0	52	0.0	-70.14	389.53	8.64	-61.50
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596084	1	52	0.0	-72.09	390.36	8.91	-63.18
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596085	0	51	0.0	-78.61	378.11	9.85	-68.76
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596085	1	51	0.0	-76.06	379.37	10.19	-65.87
CC(C)[C@H](NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596086	0	50	0.0	-68.96	373.37	7.69	-61.27
CC(C)[C@H](NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596086	1	50	0.0	-71.14	380.71	8.30	-62.84
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012596087	0	51	0.0	-71.16	398.32	9.44	-61.72
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012596087	1	51	0.0	-72.57	398.03	9.45	-63.12
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596088	0	54	0.0	-73.36	407.88	8.77	-64.59
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596088	1	54	0.0	-73.03	409.13	9.12	-63.91
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596089	0	47	0.0	-66.73	352.76	8.34	-58.39
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596089	1	47	0.0	-68.01	352.42	8.32	-59.69
CCC[C@H](NC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596090	0	50	0.0	-69.18	382.86	8.15	-61.03
CCC[C@H](NC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596090	1	50	0.0	-69.81	384.34	8.50	-61.31
CCN(C(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012596091	0	50	0.0	-68.87	369.90	9.22	-59.65
CCN(C(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012596091	1	50	0.0	-71.95	373.32	9.91	-62.04
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012596092	0	54	0.0	-49.57	396.46	10.75	-38.82
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012596092	1	54	0.0	-55.98	397.78	11.08	-44.90
CC(CN(C)C(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012596093	0	50	0.0	-77.93	373.66	9.10	-68.83
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CC(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596133	1	51	0.0	-73.20	412.98	9.81	-63.39
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CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596139	1	60	0.0	-72.18	442.81	10.61	-61.57
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CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596192	1	52	0.0	-80.37	383.50	8.75	-71.62
CC(CNC(=O)NC(CCC#N)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596193	0	48	0.0	-74.28	382.80	7.94	-66.34
CC(CNC(=O)NC(CCC#N)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596193	1	48	0.0	-73.07	382.65	7.84	-65.23
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[N@H+](C)CC1=CC=CC=C1	REAL300012596194	0	51	0.0	-51.95	400.78	10.33	-41.62
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[N@@H+](C)CC1=CC=CC=C1	REAL300012596194	1	51	0.0	-57.93	404.22	10.32	-47.61
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012596195	0	47	0.0	-68.22	352.71	8.33	-59.89
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012596195	1	47	0.0	-68.98	353.48	8.61	-60.37
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@H+](C)CC2=CC=CC=C2)C1	REAL300012596196	0	55	0.0	-77.59	417.05	9.60	-67.99
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)[N@@H+](C)CC2=CC=CC=C2)C1	REAL300012596196	1	55	0.0	-73.40	417.69	9.44	-63.96
CCC(CC)(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596197	0	62	0.0	-68.28	439.94	8.90	-59.38
C=CCOCC(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596198	0	61	0.0	-71.16	450.66	7.65	-63.51
C=CC(C)C(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596199	0	60	0.0	-66.87	433.36	8.88	-57.99
CCC(CC)(CNC(=O)N1CCC(C)CC1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596200	0	63	0.0	-80.56	432.98	11.11	-69.45
CCCN(CC(=O)[O-])C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1	REAL300012596201	0	59	0.0	-53.52	427.99	10.54	-42.98
CCC(CC)(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596202	0	63	0.0	-35.08	431.38	11.72	-23.36
CCCN(C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012596203	0	65	0.0	-46.23	444.48	12.21	-34.02
CCC(CC)(CNC(=O)NC(C(=O)[O-])C(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300012596204	0	59	0.0	-70.92	417.22	8.20	-62.72
CCC(CC)(CNC(=O)N1CCCCC1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596205	0	60	0.0	-80.79	419.09	11.06	-69.73
CCC(CC)(CNC(=O)N1CCSCC1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596206	0	58	0.0	-78.39	413.00	10.58	-67.81
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596207	0	63	0.0	-75.42	438.37	10.19	-65.23
CCC(CC)(CNC(=O)N1CCCC1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596208	0	57	0.0	-74.75	399.15	9.74	-65.01
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596209	0	60	0.0	-75.37	423.28	9.05	-66.32
CCC(CC)(CNC(=O)NCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596210	0	50	0.0	-58.44	365.95	6.11	-52.33
CCC(CC)(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596211	0	60	0.0	-70.37	436.93	9.68	-60.69
CCC(CC)(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596212	0	60	0.0	-69.46	437.15	9.61	-59.85
CCC(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596213	0	56	0.0	-70.63	404.53	7.87	-62.76
CCC(CC)(CNC(=O)NC(C(=O)[O-])C(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300012596214	0	59	0.0	-70.92	417.22	8.20	-62.72
CCC(CC)(CNC(=O)N(C)CC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596215	0	53	0.0	-66.11	380.66	8.69	-57.42
CCC(CC)(CNC(=O)NC(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596216	0	53	0.0	-58.93	387.05	6.91	-52.02
CCC(C)C(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596217	0	62	0.0	-71.45	435.77	8.83	-62.62
CCC(CC)(CNC(=O)N(C)CC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596218	0	53	0.0	-66.11	380.66	8.69	-57.42
CCC(CC)(CNC(=O)N1CCCCC1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596219	0	60	0.0	-80.79	419.09	11.06	-69.73
CCCC(C)(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596220	0	62	0.0	-70.48	434.20	9.10	-61.38
CCC(CC)(CNC(=O)N(CC(=O)[O-])C(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300012596221	0	59	0.0	-56.17	412.46	9.97	-46.20
CCC(CC)(CNC(=O)N(CC(=O)[O-])C1CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596222	0	57	0.0	-57.51	407.57	10.34	-47.17
C=CCN(CC(=O)[O-])C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1	REAL300012596223	0	57	0.0	-53.19	419.31	10.35	-42.84
CCC(CC)(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300012596224	0	62	0.0	-53.37	442.66	11.06	-42.31
CCC(CC)(CNC(=O)NC(C)(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596225	0	56	0.0	-58.39	395.28	7.25	-51.14
CCC(CC)(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596226	0	60	0.0	-69.30	422.17	9.11	-60.19
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596227	0	63	0.0	-75.42	438.37	10.19	-65.23
CCC(CC)(CNC(=O)N(CC(=O)[O-])C(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300012596228	0	59	0.0	-56.17	412.46	9.97	-46.20
CCCN(CC(=O)[O-])C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1	REAL300012596229	0	59	0.0	-53.52	427.99	10.54	-42.98
CCN(CC(=O)[O-])C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1	REAL300012596230	0	56	0.0	-66.37	406.50	9.78	-56.59
CC[C@H](C)[C@H](NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596231	0	62	0.0	-72.48	436.04	8.55	-63.93
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596232	0	60	0.0	-75.37	423.28	9.05	-66.32
CCC(C)(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596233	0	59	0.0	-69.87	408.67	8.25	-61.62
CCC(CC)(CNC(=O)N[C@@H](C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596234	0	53	0.0	-60.59	382.97	6.56	-54.03
CCN(CC(=O)[O-])C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1	REAL300012596235	0	56	0.0	-66.37	406.50	9.78	-56.59
CCC(CC)(CNC(=O)N[C@H](C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596236	0	53	0.0	-59.02	383.28	6.54	-52.48
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596237	0	54	0.0	-76.52	393.18	8.18	-68.34
CCC(CC)(CNC(=O)N1CCOCC1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596238	0	58	0.0	-76.91	410.05	8.52	-68.39
CCC(CC)(CNC(=O)NC(C(=O)[O-])C1CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596239	0	57	0.0	-67.85	410.91	8.37	-59.48
CCC(CC)(CNC(=O)N(CCOC)CC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596240	0	60	0.0	-53.66	437.88	8.97	-44.69
CCC(CC)(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596241	0	57	0.0	-73.67	408.22	9.58	-64.09
CCC(CC)(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596242	0	60	0.0	-78.67	412.19	10.82	-67.85
CCC(CC)(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596243	0	56	0.0	-62.98	394.77	8.49	-54.49
CCC(CC)(CNC(=O)N1CCC[C@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596244	0	57	0.0	-77.10	401.62	9.77	-67.33
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596245	0	57	0.0	-76.20	410.10	8.68	-67.52
C=CCC(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596246	0	57	0.0	-69.18	417.01	8.33	-60.85
CCC(CC)(CNC(=O)N1CCCC1(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596247	0	60	0.0	-74.78	416.88	9.98	-64.80
CCC(CC)(CNC(=O)N1CCCCCC1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596248	0	63	0.0	-79.74	432.34	11.51	-68.23
CCC(CC)(CNC(=O)NC(C(=O)[O-])C1CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596249	0	57	0.0	-67.85	410.91	8.37	-59.48
CCC(CC)(CNC(=O)N(C)C(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596250	0	56	0.0	-66.87	398.52	8.98	-57.89
CCCCC(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596251	0	62	0.0	-69.95	446.70	9.45	-60.50
CCC(CC)(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596252	0	60	0.0	-78.01	425.46	10.41	-67.60
CCC(CC)(CNC(=O)N(CC(=O)[O-])C1CCCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596253	0	63	0.0	-46.96	442.82	11.36	-35.60
CCC(CC)(CNC(=O)NC(COC)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596254	0	57	0.0	-71.78	416.39	6.11	-65.67
CCCCCC(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596255	0	65	0.0	-70.55	469.03	10.20	-60.35
CCC(CC)(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596256	0	63	0.0	-73.56	435.84	10.97	-62.59
CCC(CC)(CNC(=O)N(C(C)C(=O)[O-])C1CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596257	0	60	0.0	-60.19	422.96	10.44	-49.75
CCC(C(=O)[O-])N(C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C1CC1	REAL300012596258	0	63	0.0	-58.51	442.62	11.53	-46.98
CCC(CC)(CNC(=O)NC(C)(COC)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596259	0	60	0.0	-74.42	426.91	7.53	-66.89
CCOCC(C(=O)[O-])N(C)C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1	REAL300012596260	0	63	0.0	-69.64	450.40	9.43	-60.21
CCC(CC)(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300012596261	0	62	0.0	-53.37	442.66	11.06	-42.31
CCC(CC)(CNC(=O)N(CC(=O)[O-])C1CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596262	0	57	0.0	-57.51	407.57	10.34	-47.17
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CCOC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596263	0	58	0.0	-67.72	414.38	6.49	-61.23
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CCOCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596264	0	61	0.0	-74.88	429.80	7.71	-67.17
C=CCCC(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596265	0	60	0.0	-69.54	438.01	9.21	-60.33
CCC(CC)(CNC(=O)NC(CF)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596266	0	53	0.0	-57.61	386.33	6.86	-50.75
CCC(CC)(CNC(=O)N(C)C(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596267	0	56	0.0	-66.87	398.52	8.98	-57.89
CCC(CC)(CNC(=O)NC(CC)(CC)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596268	0	62	0.0	-67.22	429.08	9.23	-57.99
CCC(C)N(CC(=O)[O-])C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1	REAL300012596269	0	62	0.0	-54.46	434.61	11.31	-43.15
CCC(CC)(CNC(=O)NC(CC)(COC)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596270	0	63	0.0	-76.57	447.63	8.52	-68.05
CCC(CC)(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596271	0	60	0.0	-70.87	435.58	9.17	-61.70
CCC(CC)(CNC(=O)NC(CCOC)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596272	0	60	0.0	-71.11	438.21	6.93	-64.18
CCC(CC)(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596273	0	65	0.0	-69.37	457.96	11.42	-57.95
CCC(CC)(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596274	0	56	0.0	-65.54	415.15	8.39	-57.15
CCCN(C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012596275	0	62	0.0	-63.20	438.00	10.62	-52.58
CCC(CC)(CNC(=O)NC(CCF)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596276	0	56	0.0	-70.01	411.12	8.01	-62.00
CCC(CC)(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596277	0	59	0.0	-67.24	415.26	8.39	-58.85
CCC(CC)(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596278	0	57	0.0	-69.67	416.74	9.52	-60.15
CCC(CC)(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596279	0	56	0.0	-66.88	395.32	8.54	-58.34
CCC(CC)(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[NH2+]C(C)C1=CC=CC=C1	REAL300012596280	0	58	0.0	-81.95	413.72	10.53	-71.42
CCC(CC)(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300012596281	0	62	0.0	-71.97	439.36	9.08	-62.89
C=C(Cl)CC(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596282	0	57	0.0	-70.71	432.97	8.95	-61.76
C=C(C)CC(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596283	0	60	0.0	-69.91	437.55	9.10	-60.81
CCC(CC)(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[NH2+]C(C)C1=CC=CC=C1	REAL300012596284	0	61	0.0	-81.17	421.81	10.82	-70.35
CCC(CC)(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596285	0	57	0.0	-69.91	417.05	9.72	-60.19
CCC(CC)(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596286	0	57	0.0	-74.80	407.93	9.87	-64.93
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(CC)(CC)[NH2+]C(C)C2=CC=CC=C2)C1	REAL300012596287	0	58	0.0	-73.31	413.94	9.51	-63.80
CCC(CC)(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596288	0	62	0.0	-68.28	439.94	8.90	-59.38
CCC(CC)(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596289	0	60	0.0	-69.46	437.15	9.61	-59.85
CCC(CC)(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596290	0	60	0.0	-70.87	435.58	9.17	-61.70
CCC(CC)(CNC(=O)NC(CSC)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596291	0	57	0.0	-66.45	427.32	8.32	-58.13
CCC(CC)(CNC(=O)N[C@@H](COC)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596292	0	57	0.0	-69.59	412.85	5.77	-63.82
CC[C@H](NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596293	0	56	0.0	-67.38	400.17	7.56	-59.82
CCC(C)CC(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596294	0	65	0.0	-70.32	460.63	9.84	-60.48
C=CCCCC(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596295	0	63	0.0	-69.30	459.51	9.99	-59.31
CCC(CC)(CNC(=O)N1CCSCC1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596296	0	58	0.0	-78.39	413.00	10.58	-67.81
CCC(CC)(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596297	0	57	0.0	-73.67	408.22	9.58	-64.09
CCCC(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596298	0	59	0.0	-69.95	425.20	8.65	-61.30
CCC(CC)(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300012596299	0	59	0.0	-66.31	421.84	8.17	-58.14
CCC(CC)(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596300	0	61	0.0	-82.47	425.35	11.35	-71.12
CCN(C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012596301	0	62	0.0	-69.16	428.45	10.66	-58.50
CCCN(C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012596302	0	62	0.0	-63.20	438.00	10.62	-52.58
CCC(CC)(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596303	0	59	0.0	-69.70	413.74	9.83	-59.87
CCC(CC)(CNC(=O)N1CCC[C@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596304	0	57	0.0	-77.10	401.62	9.77	-67.33
CCC(CC)(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596305	0	58	0.0	-77.55	411.78	5.76	-71.79
CCC[C@@H](NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596306	0	59	0.0	-65.36	426.06	8.41	-56.95
CCC(CC)(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596307	0	60	0.0	-70.37	436.93	9.68	-60.69
C=CCCC(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596308	0	60	0.0	-69.54	438.01	9.21	-60.33
CCC(CC)(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596309	0	60	0.0	-69.58	421.17	10.12	-59.46
CCC(CC)(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300012596310	0	59	0.0	-70.61	415.92	7.90	-62.71
CCC(CC)(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596311	0	60	0.0	-71.79	440.93	9.66	-62.13
CCC(CC)(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596312	0	56	0.0	-66.88	395.32	8.54	-58.34
CCC[C@H](NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596313	0	59	0.0	-67.27	421.67	8.32	-58.95
CCN(C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012596314	0	59	0.0	-63.68	411.74	9.60	-54.08
CCC(CC)(CNC(=O)N(CC(=O)[O-])C1CCCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596315	0	63	0.0	-46.96	442.82	11.36	-35.60
CCC(CC)(CNC(=O)N(C)CC(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596316	0	59	0.0	-71.66	414.89	9.33	-62.33
CC[C@H](C)[C@H](NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596317	0	62	0.0	-72.48	436.04	8.55	-63.93
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1	REAL300012596318	0	59	0.0	-67.62	415.77	9.62	-58.00
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596319	0	61	0.0	-80.92	440.52	5.88	-75.04
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596320	0	63	0.0	-72.13	444.92	9.72	-62.41
CCC(CC)(CNC(=O)NC(CCOC)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596321	0	60	0.0	-71.11	438.21	6.93	-64.18
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596322	0	63	0.0	-76.99	446.18	10.39	-66.60
CCC(CC)(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596323	0	60	0.0	-69.33	429.99	9.33	-60.00
CCC(CC)(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596324	0	58	0.0	-77.80	414.75	6.28	-71.52
CCC(CC)(CNC(=O)NC(C(=O)[O-])C1CCOC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596325	0	61	0.0	-66.68	435.53	6.66	-60.02
CCC(CC)(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596326	0	61	0.0	-82.88	429.23	11.01	-71.87
CCC(CC)(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[NH2+]C(C)C1=CC=CC=C1	REAL300012596327	0	59	0.0	-76.69	416.94	8.49	-68.20
CCC(CC)(CNC(=O)N1CC(C)CCC1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596328	0	63	0.0	-78.19	433.58	11.62	-66.57
CCC(CC)(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596329	0	60	0.0	-71.38	428.66	8.95	-62.43
CCC(CC)(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596330	0	60	0.0	-71.38	428.66	8.95	-62.43
CCC(CC)(CNC(=O)N1CCC(C)C1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596331	0	60	0.0	-79.24	428.98	10.18	-69.06
C=CCC(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596332	0	57	0.0	-69.18	417.01	8.33	-60.85
CCC(CC)(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596333	0	61	0.0	-55.42	423.58	10.46	-44.96
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CC(OC)C1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596334	0	61	0.0	-71.51	441.59	7.56	-63.95
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596335	0	57	0.0	-72.01	418.41	8.72	-63.29
CCC(CC)(CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596336	0	61	0.0	-72.47	442.41	7.92	-64.55
CCC(CC)(CNC(=O)N1CCCC1(CC)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596337	0	63	0.0	-72.39	436.98	11.28	-61.11
CCC(CC)(CNC(=O)NC1(C(=O)[O-])COC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596338	0	55	0.0	-69.53	400.96	5.72	-63.81
CCC(CC)(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300012596339	0	62	0.0	-71.19	427.63	8.96	-62.23
CCC(CC)(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596340	0	58	0.0	-79.42	413.68	11.02	-68.40
CCC(CC)(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596341	0	61	0.0	-76.65	430.54	10.64	-66.01
CCC(C(=O)[O-])N(CC)C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1	REAL300012596342	0	62	0.0	-68.20	430.59	11.36	-56.84
CCC(CC)(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596343	0	57	0.0	-74.80	407.93	9.87	-64.93
CCC(CC)(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596344	0	59	0.0	-51.87	418.87	10.71	-41.16
CCC(CC)(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596345	0	63	0.0	-76.50	443.75	10.53	-65.97
CCC(CC)(CNC(=O)NC(CCC(C)C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596346	0	65	0.0	-70.21	464.26	9.95	-60.26
CCC(CC)(CNC(=O)NC1(C(=O)[O-])CCC2CC21)[NH2+]C(C)C1=CC=CC=C1	REAL300012596347	0	61	0.0	-77.70	427.29	9.52	-68.18
CCC(CC)(CNC(=O)NC(C(=O)[O-])C1CCCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300012596348	0	63	0.0	-72.12	445.01	9.46	-62.66
CCC(CC)(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)[NH2+]C(C)C1=CC=CC=C1	REAL300012596349	0	60	0.0	-72.46	434.66	6.90	-65.56
CCC(CC)(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[NH2+]C(C)C1=CC=CC=C1	REAL300012596350	0	60	0.0	-74.49	431.57	9.70	-64.79
CCC(CC)(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596351	0	63	0.0	-40.76	447.48	10.69	-30.07
CCC(CC)(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596352	0	57	0.0	-82.47	419.27	10.04	-72.43
CCC(CC)(CNC(=O)NC(CCCOC)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596353	0	63	0.0	-68.89	458.87	7.72	-61.17
CCCC(C(=O)[O-])N(C)C(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1	REAL300012596354	0	62	0.0	-67.78	440.45	10.89	-56.89
CCOCC(NC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300012596355	0	60	0.0	-71.60	437.76	7.08	-64.52
CCC(CC)(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596356	0	65	0.0	-67.25	458.88	10.30	-56.95
CCC(CC)(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596357	0	61	0.0	-78.61	423.06	8.94	-69.67
CCC(CC)(CNC(=O)NC(CCC#N)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596358	0	57	0.0	-73.33	425.38	8.37	-64.96
CCC(CC)(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300012596359	0	56	0.0	-62.98	394.77	8.49	-54.49
CC(C)C[C@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596360	0	58	0.0	-79.17	447.29	9.15	-70.02
C=CCOCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596361	0	57	0.0	-81.19	456.79	7.49	-73.70
C=CC(C)C(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596362	0	56	0.0	-76.85	441.84	8.80	-68.05
CC1CCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C(C(=O)[O-])C1	REAL300012596363	0	59	0.0	-90.42	432.34	11.17	-79.25
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596364	0	55	0.0	-65.72	429.74	10.22	-55.50
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1CCC1	REAL300012596365	0	59	0.0	-66.88	440.36	10.70	-56.18
CCCN(C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(CC)C(=O)[O-]	REAL300012596366	0	61	0.0	-82.94	463.19	12.15	-70.79
CC(C)C(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596367	0	55	0.0	-78.48	421.75	8.06	-70.42
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596368	0	56	0.0	-89.86	420.41	10.83	-79.03
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596369	0	54	0.0	-87.07	418.50	10.88	-76.19
O=C([O-])C1(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCCCC1	REAL300012596370	0	59	0.0	-83.72	439.83	9.87	-73.85
O=C([O-])C1CCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596371	0	53	0.0	-84.55	409.06	9.57	-74.98
O=C([O-])C1(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCCC1	REAL300012596372	0	56	0.0	-84.24	423.01	8.91	-75.33
O=C([O-])CNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596373	0	46	0.0	-66.45	367.69	5.80	-60.65
O=C([O-])[C@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1=CC=CC=C1	REAL300012596374	0	56	0.0	-81.64	444.52	9.99	-71.65
O=C([O-])C(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1=CC=CC=C1	REAL300012596375	0	56	0.0	-79.93	446.44	9.72	-70.21
CCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596376	0	52	0.0	-78.27	410.07	7.71	-70.56
CC(C)C(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596377	0	55	0.0	-78.48	421.75	8.06	-70.42
CN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596378	0	49	0.0	-77.72	386.43	8.49	-69.23
CC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596379	0	49	0.0	-67.02	388.48	6.63	-60.39
CCC(C)C(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596380	0	58	0.0	-77.03	442.51	8.80	-68.23
CN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596381	0	49	0.0	-77.72	386.43	8.49	-69.23
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596382	0	56	0.0	-89.86	420.41	10.83	-79.03
CCCC(C)(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596383	0	58	0.0	-80.05	435.95	8.78	-71.27
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596384	0	55	0.0	-66.36	418.37	9.74	-56.62
O=C([O-])CN(C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1CC1	REAL300012596385	0	53	0.0	-66.53	411.50	9.99	-56.54
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596386	0	53	0.0	-65.49	421.05	10.03	-55.46
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596387	0	58	0.0	-65.16	444.15	10.53	-54.63
CC(C)(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596388	0	52	0.0	-65.36	401.06	7.03	-58.33
CC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)(C(=O)[O-])C1CC1	REAL300012596389	0	56	0.0	-82.71	422.22	8.96	-73.75
O=C([O-])C1(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCCCC1	REAL300012596390	0	59	0.0	-83.72	439.83	9.87	-73.85
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596391	0	55	0.0	-66.36	418.37	9.74	-56.62
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596392	0	55	0.0	-65.72	429.74	10.22	-55.50
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596393	0	52	0.0	-77.96	408.24	9.48	-68.48
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596394	0	58	0.0	-78.92	438.17	8.78	-70.14
O=C([O-])C1(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCCC1	REAL300012596395	0	56	0.0	-84.24	423.01	8.91	-75.33
CCC(C)(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596396	0	55	0.0	-78.79	414.45	8.03	-70.76
C[C@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596397	0	49	0.0	-67.89	386.59	6.84	-61.05
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596398	0	52	0.0	-77.96	408.24	9.48	-68.48
C[C@@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596399	0	49	0.0	-68.48	386.76	6.82	-61.66
O=C([O-])C1(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CC1	REAL300012596400	0	50	0.0	-85.53	392.91	8.03	-77.50
O=C([O-])C1COCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596401	0	54	0.0	-85.65	411.57	8.16	-77.49
O=C([O-])C(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1CC1	REAL300012596402	0	53	0.0	-78.36	415.51	8.32	-70.04
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596403	0	56	0.0	-66.31	439.62	8.65	-57.66
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596404	0	53	0.0	-86.52	408.09	9.44	-77.08
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596405	0	56	0.0	-88.97	419.34	10.51	-78.46
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596406	0	52	0.0	-74.03	399.11	8.81	-65.22
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596407	0	53	0.0	-84.70	408.48	9.49	-75.21
O=C([O-])C1(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCC1	REAL300012596408	0	53	0.0	-84.69	409.71	8.55	-76.14
C=CCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596409	0	53	0.0	-78.18	423.59	8.10	-70.08
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596410	0	56	0.0	-85.67	424.42	10.31	-75.36
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596411	0	59	0.0	-87.61	433.38	11.61	-76.00
O=C([O-])C(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1CC1	REAL300012596412	0	53	0.0	-78.36	415.51	8.32	-70.04
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596413	0	52	0.0	-72.62	400.40	8.72	-63.90
CCCCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596414	0	58	0.0	-78.15	453.07	9.26	-68.89
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596415	0	56	0.0	-85.62	424.48	10.28	-75.34
O=C([O-])CN(C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1CCCC1	REAL300012596416	0	59	0.0	-68.17	442.86	11.23	-56.94
COCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596417	0	53	0.0	-80.25	422.17	5.88	-74.37
CCCCCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596418	0	61	0.0	-78.46	474.81	9.97	-68.49
CN(C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1(C(=O)[O-])CCCC1	REAL300012596419	0	59	0.0	-86.11	434.03	10.65	-75.46
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1CC1	REAL300012596420	0	56	0.0	-65.89	426.68	10.05	-55.84
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1CC1	REAL300012596421	0	59	0.0	-65.64	447.33	11.16	-54.48
COCC(C)(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596422	0	56	0.0	-82.84	432.70	7.31	-75.53
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596423	0	59	0.0	-75.20	453.31	9.06	-66.14
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596424	0	58	0.0	-65.16	444.15	10.53	-54.63
O=C([O-])CN(C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1CC1	REAL300012596425	0	53	0.0	-66.53	411.50	9.99	-56.54
O=C([O-])C1(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCOC1	REAL300012596426	0	54	0.0	-79.35	414.23	6.34	-73.01
O=C([O-])C1(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCOCC1	REAL300012596427	0	57	0.0	-82.35	429.52	7.55	-74.80
C=CCCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596428	0	56	0.0	-78.29	444.62	8.97	-69.32
O=C([O-])C(CF)NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596429	0	49	0.0	-65.55	392.10	6.64	-58.91
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596430	0	52	0.0	-72.62	400.40	8.72	-63.90
CCC(CC)(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596431	0	58	0.0	-81.05	430.84	8.91	-72.14
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596432	0	58	0.0	-64.35	441.56	10.91	-53.44
CCC(COC)(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596433	0	59	0.0	-85.23	449.13	8.22	-77.01
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596434	0	56	0.0	-79.49	440.47	9.34	-70.15
COCCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596435	0	56	0.0	-78.30	443.99	6.71	-71.59
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596436	0	61	0.0	-75.29	461.05	11.20	-64.09
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596437	0	52	0.0	-73.63	420.69	8.24	-65.39
CCCN(C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(C)C(=O)[O-]	REAL300012596438	0	58	0.0	-74.51	439.40	10.19	-64.32
O=C([O-])C(CCF)NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596439	0	52	0.0	-76.34	416.66	7.85	-68.49
CC(CCF)(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596440	0	55	0.0	-76.31	421.04	8.17	-68.14
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596441	0	53	0.0	-79.62	422.48	9.50	-70.12
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596442	0	52	0.0	-73.43	399.92	8.97	-64.46
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596443	0	54	0.0	-91.67	414.64	10.39	-81.28
CC(C)(C)[C@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596444	0	58	0.0	-78.94	437.76	8.96	-69.98
C=C(Cl)CC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596445	0	53	0.0	-74.76	438.54	8.83	-65.93
C=C(C)CC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596446	0	56	0.0	-78.68	443.22	9.02	-69.66
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596447	0	57	0.0	-94.27	429.94	11.16	-83.11
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596448	0	53	0.0	-78.02	420.29	9.92	-68.10
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596449	0	53	0.0	-82.35	413.81	9.85	-72.50
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300012596450	0	54	0.0	-85.79	421.56	9.80	-75.99
CC(C)C[C@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596451	0	58	0.0	-79.17	447.29	9.15	-70.02
O=C([O-])C(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1=CC=CC=C1	REAL300012596452	0	56	0.0	-79.93	446.44	9.72	-70.21
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596453	0	56	0.0	-79.49	440.47	9.34	-70.15
CSCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596454	0	53	0.0	-76.27	433.77	8.07	-68.20
COC[C@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596455	0	53	0.0	-80.28	420.44	6.08	-74.20
CC[C@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596456	0	52	0.0	-78.64	408.59	7.85	-70.79
CCC(C)CC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596457	0	61	0.0	-79.15	467.13	9.67	-69.48
C=CCCCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596458	0	59	0.0	-78.55	466.12	9.75	-68.80
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596459	0	54	0.0	-87.07	418.50	10.88	-76.19
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596460	0	53	0.0	-86.52	408.09	9.44	-77.08
CCCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596461	0	55	0.0	-78.56	431.81	8.41	-70.15
CC(C)[C@@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596462	0	55	0.0	-80.28	425.62	8.42	-71.86
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596463	0	57	0.0	-92.66	428.65	11.32	-81.34
CCN(C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012596464	0	58	0.0	-83.18	435.04	10.43	-72.75
CCCN(C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(C)C(=O)[O-]	REAL300012596465	0	58	0.0	-74.51	439.40	10.19	-64.32
CN(C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012596466	0	55	0.0	-83.02	415.46	9.56	-73.46
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596467	0	53	0.0	-84.70	408.48	9.49	-75.21
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596468	0	54	0.0	-87.36	420.49	5.79	-81.57
CCC[C@@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596469	0	55	0.0	-79.26	429.84	8.67	-70.59
O=C([O-])[C@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1=CC=CC=C1	REAL300012596470	0	56	0.0	-81.64	444.52	9.99	-71.65
C=CCCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596471	0	56	0.0	-78.29	444.62	8.97	-69.32
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596472	0	56	0.0	-86.75	424.44	10.30	-76.45
CC(C)[C@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596473	0	55	0.0	-78.20	419.71	8.14	-70.06
O=C([O-])[C@@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1=CC=CC=C1	REAL300012596474	0	56	0.0	-81.02	444.72	9.92	-71.10
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596475	0	52	0.0	-73.43	399.92	8.97	-64.46
CCC[C@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596476	0	55	0.0	-78.08	429.25	8.61	-69.47
CCN(C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(C)C(=O)[O-]	REAL300012596477	0	55	0.0	-80.83	421.24	10.20	-70.63
O=C([O-])CN(C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1CCCC1	REAL300012596478	0	59	0.0	-68.17	442.86	11.23	-56.94
CC(CN(C)C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596479	0	55	0.0	-75.58	420.66	9.13	-66.45
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596480	0	58	0.0	-78.92	438.17	8.78	-70.14
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596481	0	55	0.0	-73.93	420.18	10.04	-63.89
O=C([O-])C1(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CC(CO)C1	REAL300012596482	0	57	0.0	-85.95	441.98	5.85	-80.10
CC1CCC(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)(C(=O)[O-])C1	REAL300012596483	0	59	0.0	-85.04	444.66	9.58	-75.46
COCCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596484	0	56	0.0	-78.30	443.99	6.71	-71.59
CC1(C)CC(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)(C(=O)[O-])C1	REAL300012596485	0	59	0.0	-85.50	445.92	10.25	-75.25
CC1(C(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C(=O)[O-])CC1	REAL300012596486	0	56	0.0	-81.69	430.05	9.18	-72.51
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596487	0	54	0.0	-93.65	419.32	6.21	-87.44
O=C([O-])C(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1CCOC1	REAL300012596488	0	57	0.0	-80.03	435.36	6.88	-73.15
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596489	0	57	0.0	-90.09	429.49	10.88	-79.21
O=C([O-])C12COC(CN1C(=O)NCC1=CC=C(OCC[NH+]3CCCC3)C=C1)C2	REAL300012596490	0	55	0.0	-87.32	421.97	8.58	-78.74
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300012596491	0	59	0.0	-89.35	441.25	11.42	-77.93
O=C([O-])C(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1CCC1	REAL300012596492	0	56	0.0	-80.55	428.26	8.80	-71.75
O=C([O-])C(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1CCC1	REAL300012596493	0	56	0.0	-80.55	428.26	8.80	-71.75
CC1CCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1C(=O)[O-]	REAL300012596494	0	56	0.0	-87.93	423.52	9.91	-78.02
C=CCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596495	0	53	0.0	-78.18	423.59	8.10	-70.08
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596496	0	57	0.0	-69.32	430.12	10.77	-58.55
COC1CC(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)(C(=O)[O-])C1	REAL300012596497	0	57	0.0	-87.53	443.08	7.51	-80.02
O=C([O-])C1(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CC(F)(F)C1	REAL300012596498	0	53	0.0	-81.88	419.87	8.39	-73.49
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)(C(=O)[O-])C1	REAL300012596499	0	57	0.0	-81.49	441.18	7.42	-74.07
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596500	0	59	0.0	-89.12	437.73	11.53	-77.59
O=C([O-])C1(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)COC1	REAL300012596501	0	51	0.0	-78.21	400.69	5.58	-72.63
CC(C)C(C)(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596502	0	58	0.0	-79.41	429.37	8.65	-70.76
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596503	0	54	0.0	-90.91	415.01	10.92	-79.99
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596504	0	57	0.0	-87.64	432.10	10.28	-77.36
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596505	0	58	0.0	-74.38	435.02	10.46	-63.92
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596506	0	53	0.0	-82.35	413.81	9.85	-72.50
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596507	0	55	0.0	-66.69	423.43	10.56	-56.13
CC1(C)CCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1C(=O)[O-]	REAL300012596508	0	59	0.0	-86.03	441.39	10.51	-75.52
CC(C)CCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596509	0	61	0.0	-78.36	470.63	9.77	-68.59
O=C([O-])C1(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCC2CC21	REAL300012596510	0	57	0.0	-85.26	431.08	9.78	-75.48
O=C([O-])C(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1CCCC1	REAL300012596511	0	59	0.0	-79.90	446.47	9.23	-70.67
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596512	0	56	0.0	-80.16	438.59	7.08	-73.08
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596513	0	56	0.0	-87.70	431.59	9.58	-78.12
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300012596514	0	59	0.0	-68.48	447.17	10.55	-57.93
O=C([O-])C1N(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCC1(F)F	REAL300012596515	0	53	0.0	-87.57	419.01	9.89	-77.68
COCCCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596516	0	59	0.0	-77.91	465.24	7.55	-70.36
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596517	0	58	0.0	-73.65	442.78	10.46	-63.19
CCOCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596518	0	56	0.0	-80.66	444.02	6.86	-73.80
CC(C)(C)CC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596519	0	61	0.0	-77.71	460.28	10.06	-67.65
C[C@H]1OCCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)[C@@H]1C(=O)[O-]	REAL300012596520	0	57	0.0	-87.08	429.35	9.06	-78.02
N#CCCC(NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300012596521	0	53	0.0	-78.50	431.17	8.15	-70.35
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300012596522	0	52	0.0	-74.03	399.11	8.81	-65.22
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC[N@@H+]1C	REAL300012596578	0	49	0.0	-72.03	354.52	4.51	-67.52
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC[N@H+]1C	REAL300012596578	1	49	0.0	-73.89	359.21	4.69	-69.20
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC[N@@H+]1C	REAL300012596579	0	45	0.0	-68.59	356.32	6.69	-61.90
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC[N@H+]1C	REAL300012596579	1	45	0.0	-68.13	363.58	7.09	-61.04
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC[N@@H+]1C	REAL300012596580	0	45	0.0	-68.40	366.21	7.14	-61.26
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC[N@H+]1C	REAL300012596580	1	45	0.0	-67.97	373.47	7.53	-60.44
COC1CCN(C(=O)NC2CC[N@H+](C)C(C)C2)C(C(=O)[O-])C1	REAL300012596581	0	49	0.0	-81.18	350.21	6.63	-74.55
COC1CCN(C(=O)NC2CC[N@@H+](C)C(C)C2)C(C(=O)[O-])C1	REAL300012596581	1	49	0.0	-85.77	351.60	7.56	-78.21
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC[N@@H+]1C	REAL300012596582	0	49	0.0	-70.42	354.70	4.63	-65.79
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC[N@H+]1C	REAL300012596582	1	49	0.0	-68.98	354.48	4.54	-64.44
CC1=CC(C(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])=CC=C1F	REAL300012596583	0	48	0.0	-69.15	370.34	7.27	-61.88
CC1=CC(C(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])=CC=C1F	REAL300012596583	1	48	0.0	-68.41	377.38	7.75	-60.66
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC[N@@H+]1C	REAL300012596584	0	50	0.0	-72.49	379.52	6.41	-66.08
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC[N@H+]1C	REAL300012596584	1	50	0.0	-73.46	386.80	6.82	-66.64
CC1=CC(C(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])=CC(C)=C1	REAL300012596585	0	51	0.0	-72.81	386.21	7.98	-64.83
CC1=CC(C(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])=CC(C)=C1	REAL300012596585	1	51	0.0	-72.69	393.74	8.30	-64.39
CC1=CC=C(C(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])C=C1C	REAL300012596586	0	51	0.0	-74.78	382.03	7.78	-67.00
CC1=CC=C(C(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])C=C1C	REAL300012596586	1	51	0.0	-72.47	389.07	8.25	-64.22
COC1=CC=C(C(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])C=C1Cl	REAL300012596587	0	49	0.0	-71.96	389.14	6.42	-65.54
COC1=CC=C(C(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])C=C1Cl	REAL300012596587	1	49	0.0	-69.60	396.39	6.82	-62.78
CC1=CC=CC(C(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])=C1C	REAL300012596588	0	51	0.0	-74.20	377.77	7.58	-66.62
CC1=CC=CC(C(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])=C1C	REAL300012596588	1	51	0.0	-73.93	382.92	8.05	-65.88
COC1=CC=C(C(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])C=C1F	REAL300012596589	0	49	0.0	-72.62	379.34	5.93	-66.69
COC1=CC=C(C(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])C=C1F	REAL300012596589	1	49	0.0	-69.96	386.59	6.35	-63.61
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC[N@@H+]1C	REAL300012596590	0	51	0.0	-56.57	403.32	10.41	-46.16
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC[N@H+]1C	REAL300012596590	1	51	0.0	-55.56	410.37	10.72	-44.84
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300012596591	0	48	0.0	-59.65	385.66	9.94	-49.71
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC[N@H+]1C	REAL300012596591	1	48	0.0	-54.15	386.82	10.04	-44.11
CCCN(C(=O)NC1CC[N@H+](C)C(C)C1)C(COC)C(=O)[O-]	REAL300012596592	0	51	0.0	-73.31	365.59	6.82	-66.49
CCCN(C(=O)NC1CC[N@@H+](C)C(C)C1)C(COC)C(=O)[O-]	REAL300012596592	1	51	0.0	-71.52	372.66	7.15	-64.37
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC[N@@H+]1C	REAL300012596593	0	45	0.0	-71.45	360.33	7.26	-64.19
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC[N@H+]1C	REAL300012596593	1	45	0.0	-67.99	367.36	7.57	-60.42
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])CC[N@@H+]1C	REAL300012596594	0	43	0.0	-77.87	317.92	7.65	-70.22
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])CC[N@H+]1C	REAL300012596594	1	43	0.0	-78.28	317.30	7.52	-70.76
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC[N@@H+]1C	REAL300012596595	0	51	0.0	-74.21	342.60	7.38	-66.83
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC[N@H+]1C	REAL300012596595	1	51	0.0	-76.35	342.88	7.07	-69.28
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596596	0	48	0.0	-72.05	365.63	7.58	-64.47
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596596	1	48	0.0	-73.77	373.11	7.90	-65.87
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC[N@@H+]1C	REAL300012596597	0	48	0.0	-61.31	364.38	9.32	-51.99
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC[N@H+]1C	REAL300012596597	1	48	0.0	-58.00	371.61	9.72	-48.28
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1C	REAL300012596598	0	45	0.0	-72.46	343.62	6.57	-65.89
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1C	REAL300012596598	1	45	0.0	-71.98	350.91	6.97	-65.01
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1C	REAL300012596599	0	45	0.0	-73.84	343.61	6.58	-67.26
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1C	REAL300012596599	1	45	0.0	-73.34	350.87	6.97	-66.37
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596600	0	48	0.0	-72.05	365.63	7.58	-64.47
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596600	1	48	0.0	-73.77	373.11	7.90	-65.87
CC1CC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC[N@@H+]1C	REAL300012596601	0	49	0.0	-82.18	355.46	9.62	-72.56
CC1CC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC[N@H+]1C	REAL300012596601	1	49	0.0	-84.04	359.28	10.25	-73.79
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC[N@@H+]1C	REAL300012596602	0	42	0.0	-70.65	335.23	5.66	-64.99
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC[N@H+]1C	REAL300012596602	1	42	0.0	-69.76	342.27	6.12	-63.64
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC[N@@H+]1C	REAL300012596603	0	48	0.0	-56.85	381.32	9.93	-46.92
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC[N@H+]1C	REAL300012596603	1	48	0.0	-59.35	381.32	9.92	-49.43
CC1CC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC[N@@H+]1C	REAL300012596604	0	52	0.0	-74.66	394.11	7.60	-67.06
CC1CC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC[N@H+]1C	REAL300012596604	1	52	0.0	-74.82	402.23	7.98	-66.84
COC1=CC(CN(CC(=O)[O-])C(=O)NC2CC[N@H+](C)C(C)C2)=CC(OC)=C1	REAL300012596605	0	56	0.0	-61.70	423.58	8.02	-53.68
COC1=CC(CN(CC(=O)[O-])C(=O)NC2CC[N@@H+](C)C(C)C2)=CC(OC)=C1	REAL300012596605	1	56	0.0	-63.05	430.65	8.33	-54.72
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC[N@@H+]1C	REAL300012596606	0	45	0.0	-71.30	364.89	7.36	-63.94
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC[N@H+]1C	REAL300012596606	1	45	0.0	-67.83	371.93	7.67	-60.16
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC[N@@H+]1C	REAL300012596607	0	48	0.0	-57.00	371.00	9.48	-47.52
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC[N@H+]1C	REAL300012596607	1	48	0.0	-59.42	371.00	9.47	-49.95
CC1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC[N@@H+]1C	REAL300012596608	0	49	0.0	-73.90	363.05	7.82	-66.08
CC1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC[N@H+]1C	REAL300012596608	1	49	0.0	-75.54	363.29	7.89	-67.65
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC[N@@H+]1C	REAL300012596609	0	45	0.0	-73.44	354.20	6.79	-66.65
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC[N@H+]1C	REAL300012596609	1	45	0.0	-71.23	361.51	7.19	-64.04
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1C	REAL300012596610	0	48	0.0	-73.92	351.41	7.35	-66.57
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1C	REAL300012596610	1	48	0.0	-71.70	358.69	7.75	-63.95
CCCCCCC(C)(NC(=O)NC1CC[N@H+](C)C(C)C1)C(=O)[O-]	REAL300012596611	0	56	0.0	-72.37	397.57	7.96	-64.41
CCCCCCC(C)(NC(=O)NC1CC[N@@H+](C)C(C)C1)C(=O)[O-]	REAL300012596611	1	56	0.0	-69.78	404.87	8.35	-61.43
CC1CC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596612	0	51	0.0	-73.72	374.66	9.53	-64.19
CC1CC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596612	1	51	0.0	-72.94	383.75	9.89	-63.05
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC[N@@H+]1C	REAL300012596613	0	45	0.0	-71.45	360.33	7.26	-64.19
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC[N@H+]1C	REAL300012596613	1	45	0.0	-67.99	367.36	7.57	-60.42
CC1CC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC[N@@H+]1C	REAL300012596614	0	51	0.0	-75.22	346.22	8.03	-67.19
CC1CC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC[N@H+]1C	REAL300012596614	1	51	0.0	-74.68	353.51	8.41	-66.27
CC1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC[N@@H+]1C	REAL300012596615	0	51	0.0	-62.15	386.77	10.10	-52.05
CC1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC[N@H+]1C	REAL300012596615	1	51	0.0	-59.52	386.76	10.10	-49.42
CC1CC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1C	REAL300012596616	0	48	0.0	-69.86	351.55	8.23	-61.63
CC1CC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1C	REAL300012596616	1	48	0.0	-70.81	358.17	8.55	-62.26
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC[N@@H+]1C	REAL300012596617	0	49	0.0	-77.44	358.29	7.63	-69.81
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC[N@H+]1C	REAL300012596617	1	49	0.0	-76.87	365.58	8.02	-68.85
CC1CC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC[N@@H+]1C	REAL300012596618	0	52	0.0	-78.38	399.53	7.52	-70.86
CC1CC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC[N@H+]1C	REAL300012596618	1	52	0.0	-77.91	406.82	7.91	-70.00
CC1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC[N@@H+]1C	REAL300012596619	0	51	0.0	-62.15	386.77	10.10	-52.05
CC1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC[N@H+]1C	REAL300012596619	1	51	0.0	-59.52	386.76	10.10	-49.42
CCC1CCC(NC(=O)NC2CC[N@H+](C)C(C)C2)(C(=O)[O-])CC1	REAL300012596620	0	54	0.0	-73.46	376.03	7.96	-65.50
CCC1CCC(NC(=O)NC2CC[N@@H+](C)C(C)C2)(C(=O)[O-])CC1	REAL300012596620	1	54	0.0	-75.11	376.24	8.03	-67.08
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC[N@@H+]1C	REAL300012596621	0	49	0.0	-60.75	350.18	6.21	-54.54
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC[N@H+]1C	REAL300012596621	1	49	0.0	-57.98	350.15	6.21	-51.77
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC[N@@H+]1C	REAL300012596622	0	48	0.0	-68.11	383.31	8.33	-59.78
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC[N@H+]1C	REAL300012596622	1	48	0.0	-65.81	390.61	8.73	-57.08
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC[N@@H+]1C	REAL300012596623	0	45	0.0	-74.71	354.00	7.08	-67.63
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC[N@H+]1C	REAL300012596623	1	45	0.0	-72.52	362.36	7.46	-65.06
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC[N@@H+]1C	REAL300012596624	0	45	0.0	-78.47	347.46	6.76	-71.71
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC[N@H+]1C	REAL300012596624	1	45	0.0	-76.31	355.11	7.11	-69.20
CC1CC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC[N@@H+]1C	REAL300012596625	0	49	0.0	-63.15	358.99	8.90	-54.25
CC1CC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC[N@H+]1C	REAL300012596625	1	49	0.0	-63.04	358.95	8.89	-54.15
CC1CC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC[N@@H+]1C	REAL300012596626	0	48	0.0	-73.24	379.28	7.67	-65.57
CC1CC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC[N@H+]1C	REAL300012596626	1	48	0.0	-76.34	381.29	7.98	-68.36
CC1CC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC[N@@H+]1C	REAL300012596627	0	54	0.0	-76.50	408.71	9.64	-66.86
CC1CC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC[N@H+]1C	REAL300012596627	1	54	0.0	-77.14	416.77	9.89	-67.25
CC1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC[N@@H+]1C	REAL300012596628	0	54	0.0	-71.03	387.57	7.77	-63.26
CC1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC[N@H+]1C	REAL300012596628	1	54	0.0	-71.03	395.12	8.09	-62.94
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@H+](C)C(C)C1	REAL300012596629	0	51	0.0	-58.14	372.22	9.48	-48.66
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](C)C(C)C1	REAL300012596629	1	51	0.0	-56.99	379.68	9.87	-47.12
CC1=CC=C(C(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])C=C1	REAL300012596630	0	48	0.0	-73.93	365.00	7.25	-66.68
CC1=CC=C(C(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])C=C1	REAL300012596630	1	48	0.0	-71.61	372.08	7.72	-63.89
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC[N@@H+]1C	REAL300012596631	0	41	0.0	-66.31	322.53	5.23	-61.08
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC[N@H+]1C	REAL300012596631	1	41	0.0	-66.57	323.35	5.35	-61.22
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC[N@@H+]1C	REAL300012596632	0	51	0.0	-73.89	389.60	8.84	-65.05
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC[N@H+]1C	REAL300012596632	1	51	0.0	-74.51	396.64	9.31	-65.20
CC1CC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC[N@@H+]1C	REAL300012596633	0	46	0.0	-69.97	334.67	6.37	-63.60
CC1CC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC[N@H+]1C	REAL300012596633	1	46	0.0	-71.52	334.88	6.45	-65.07
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C)C(C)C1	REAL300012596634	0	48	0.0	-70.28	350.30	6.07	-64.21
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C)C(C)C1	REAL300012596634	1	48	0.0	-70.09	357.37	6.38	-63.71
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@H+](C)C(C)C1	REAL300012596635	0	54	0.0	-55.60	384.90	9.98	-45.62
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](C)C(C)C1	REAL300012596635	1	54	0.0	-56.86	392.27	10.28	-46.58
CC1CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC[N@@H+]1C	REAL300012596636	0	44	0.0	-61.04	345.00	7.46	-53.58
CC1CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC[N@H+]1C	REAL300012596636	1	44	0.0	-61.57	345.22	7.54	-54.03
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC[N@@H+]1C	REAL300012596637	0	51	0.0	-72.94	361.19	6.71	-66.23
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC[N@H+]1C	REAL300012596637	1	51	0.0	-73.71	373.40	7.36	-66.35
CC1CC(NC(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596638	0	48	0.0	-70.89	399.32	8.68	-62.21
CC1CC(NC(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596638	1	48	0.0	-67.79	406.64	8.93	-58.86
CC1CC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC[N@@H+]1C	REAL300012596639	0	52	0.0	-71.11	377.46	7.46	-63.65
CC1CC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC[N@H+]1C	REAL300012596639	1	52	0.0	-70.85	384.28	7.61	-63.24
CC1CC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC[N@@H+]1C	REAL300012596640	0	52	0.0	-78.07	388.88	11.07	-67.00
CC1CC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC[N@H+]1C	REAL300012596640	1	52	0.0	-78.66	388.90	11.03	-67.63
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](C)C(C)C1	REAL300012596641	0	51	0.0	-52.20	373.22	10.38	-41.82
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](C)C(C)C1	REAL300012596641	1	51	0.0	-75.49	380.90	10.60	-64.89
COC1=CC=C(C(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])C=C1	REAL300012596642	0	49	0.0	-74.72	373.09	6.03	-68.69
COC1=CC=C(C(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])C=C1	REAL300012596642	1	49	0.0	-71.23	380.14	6.34	-64.89
CCC(COC)(NC(=O)NC1CC[N@H+](C)C(C)C1)C(=O)[O-]	REAL300012596643	0	48	0.0	-77.09	346.72	5.14	-71.95
CCC(COC)(NC(=O)NC1CC[N@@H+](C)C(C)C1)C(=O)[O-]	REAL300012596643	1	48	0.0	-74.88	353.57	5.46	-69.42
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C)C(C)C1	REAL300012596644	0	51	0.0	-70.50	370.07	6.73	-63.77
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C)C(C)C1	REAL300012596644	1	51	0.0	-70.54	377.38	6.96	-63.58
CC1CC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC[N@@H+]1C	REAL300012596645	0	48	0.0	-78.46	353.70	2.80	-75.66
CC1CC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC[N@H+]1C	REAL300012596645	1	48	0.0	-74.41	360.79	3.12	-71.29
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](C)C(C)C1	REAL300012596646	0	51	0.0	-78.66	361.03	8.98	-69.68
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](C)C(C)C1	REAL300012596646	1	51	0.0	-80.74	357.98	8.94	-71.80
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](C)C(C)C1	REAL300012596647	0	51	0.0	-56.08	375.35	10.48	-45.60
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](C)C(C)C1	REAL300012596647	1	51	0.0	-75.49	380.90	10.60	-64.89
CCC(NC(=O)NC1CC[N@H+](C)C(C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012596648	0	51	0.0	-69.53	385.13	8.77	-60.76
CCC(NC(=O)NC1CC[N@@H+](C)C(C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012596648	1	51	0.0	-70.88	392.33	9.13	-61.75
CCC(NC(=O)NC1CC[N@H+](C)C(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012596649	0	51	0.0	-74.65	368.28	8.21	-66.44
CCC(NC(=O)NC1CC[N@@H+](C)C(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012596649	1	51	0.0	-72.28	375.70	8.64	-63.64
COC1CCCC(C(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])C1	REAL300012596650	0	55	0.0	-72.47	392.35	5.92	-66.55
COC1CCCC(C(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])C1	REAL300012596650	1	55	0.0	-74.76	405.84	6.36	-68.40
COC1(CC(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])CCC1	REAL300012596651	0	52	0.0	-73.77	378.02	5.68	-68.09
COC1(CC(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])CCC1	REAL300012596651	1	52	0.0	-70.16	385.09	6.00	-64.16
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC[N@@H+]1C	REAL300012596652	0	49	0.0	-60.75	350.18	6.21	-54.54
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC[N@H+]1C	REAL300012596652	1	49	0.0	-57.98	350.15	6.21	-51.77
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC[N@@H+]1C	REAL300012596653	0	51	0.0	-58.45	359.33	8.67	-49.78
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC[N@H+]1C	REAL300012596653	1	51	0.0	-60.23	366.41	8.98	-51.25
C[C@H]1CC[C@@](NC(=O)NC2CC[N@H+](C)C(C)C2)(C(=O)[O-])CC1	REAL300012596654	0	51	0.0	-75.55	358.06	7.49	-68.06
C[C@H]1CC[C@@](NC(=O)NC2CC[N@@H+](C)C(C)C2)(C(=O)[O-])CC1	REAL300012596654	1	51	0.0	-73.33	358.05	7.49	-65.84
COC1=CC=CC(C(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])=C1	REAL300012596655	0	49	0.0	-76.01	373.10	5.87	-70.14
COC1=CC=CC(C(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])=C1	REAL300012596655	1	49	0.0	-73.80	380.15	6.34	-67.46
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC[N@@H+]1C	REAL300012596656	0	45	0.0	-73.87	357.40	7.14	-66.73
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC[N@H+]1C	REAL300012596656	1	45	0.0	-71.72	365.73	7.53	-64.19
CC1CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC[N@@H+]1C	REAL300012596657	0	46	0.0	-63.80	340.59	7.04	-56.76
CC1CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC[N@H+]1C	REAL300012596657	1	46	0.0	-65.92	340.51	7.12	-58.80
CC1CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC[N@@H+]1C	REAL300012596658	0	42	0.0	-71.62	324.75	6.91	-64.71
CC1CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC[N@H+]1C	REAL300012596658	1	42	0.0	-72.95	321.42	6.17	-66.78
COC1=CC=CC([C@H](NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])=C1	REAL300012596659	0	49	0.0	-76.02	373.08	5.86	-70.16
COC1=CC=CC([C@H](NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])=C1	REAL300012596659	1	49	0.0	-75.06	379.77	6.29	-68.77
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[N@H+](C)C(C)C2)C1	REAL300012596660	0	51	0.0	-75.39	373.30	7.37	-68.02
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[N@@H+](C)C(C)C2)C1	REAL300012596660	1	51	0.0	-78.24	371.84	8.02	-70.22
COC1=CC=CC(CC(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])=C1	REAL300012596661	0	52	0.0	-78.70	395.35	6.96	-71.74
COC1=CC=CC(CC(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])=C1	REAL300012596661	1	52	0.0	-74.92	395.54	6.88	-68.04
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC[N@@H+]1C	REAL300012596662	0	54	0.0	-78.66	365.12	7.66	-71.00
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC[N@H+]1C	REAL300012596662	1	54	0.0	-80.65	368.18	8.34	-72.31
CC1CC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596663	0	51	0.0	-69.12	385.73	8.22	-60.90
CC1CC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596663	1	51	0.0	-70.89	393.02	8.62	-62.27
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC[N@@H+]1C	REAL300012596664	0	50	0.0	-76.78	379.63	8.02	-68.76
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC[N@H+]1C	REAL300012596664	1	50	0.0	-76.30	386.92	8.42	-67.88
COC1CN(C(=O)NC2CC[N@H+](C)C(C)C2)C(C)(C(=O)[O-])C1	REAL300012596665	0	49	0.0	-76.21	356.52	5.93	-70.28
COC1CN(C(=O)NC2CC[N@@H+](C)C(C)C2)C(C)(C(=O)[O-])C1	REAL300012596665	1	49	0.0	-75.70	363.90	6.30	-69.40
CC1CC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC[N@@H+]1C	REAL300012596666	0	52	0.0	-72.70	374.63	6.16	-66.54
CC1CC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC[N@H+]1C	REAL300012596666	1	52	0.0	-69.86	385.91	5.79	-64.07
C=C(Cl)CC(NC(=O)NC1CC[N@H+](C)C(C)C1)C(=O)[O-]	REAL300012596667	0	42	0.0	-66.90	335.66	5.68	-61.22
C=C(Cl)CC(NC(=O)NC1CC[N@@H+](C)C(C)C1)C(=O)[O-]	REAL300012596667	1	42	0.0	-66.92	343.25	6.01	-60.91
CC1CC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596668	0	51	0.0	-69.71	375.40	7.77	-61.94
CC1CC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596668	1	51	0.0	-71.50	382.71	8.16	-63.34
CC1CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC[N@@H+]1C	REAL300012596669	0	42	0.0	-74.23	323.43	6.92	-67.31
CC1CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC[N@H+]1C	REAL300012596669	1	42	0.0	-71.68	327.40	6.57	-65.11
CC1CC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC[N@@H+]1C	REAL300012596670	0	52	0.0	-74.29	378.90	5.32	-68.97
CC1CC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC[N@H+]1C	REAL300012596670	1	52	0.0	-73.14	385.37	5.73	-67.41
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC[N@@H+]1C	REAL300012596671	0	49	0.0	-72.03	354.52	4.51	-67.52
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC[N@H+]1C	REAL300012596671	1	49	0.0	-73.89	359.21	4.69	-69.20
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1C	REAL300012596672	0	45	0.0	-73.84	343.61	6.58	-67.26
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1C	REAL300012596672	1	45	0.0	-73.34	350.87	6.97	-66.37
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC[N@@H+]1C	REAL300012596673	0	48	0.0	-72.54	382.66	7.59	-64.95
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC[N@H+]1C	REAL300012596673	1	48	0.0	-70.39	389.72	8.06	-62.33
CC1CC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC[N@@H+]1C	REAL300012596674	0	44	0.0	-74.31	352.59	4.79	-69.52
CC1CC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC[N@H+]1C	REAL300012596674	1	44	0.0	-70.73	359.72	5.06	-65.67
CC(C)CCCC(NC(=O)NC1CC[N@H+](C)C(C)C1)C(=O)[O-]	REAL300012596675	0	53	0.0	-70.82	389.50	7.34	-63.48
CC(C)CCCC(NC(=O)NC1CC[N@@H+](C)C(C)C1)C(=O)[O-]	REAL300012596675	1	53	0.0	-70.33	396.80	7.73	-62.60
CC1CC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC[N@@H+]1C	REAL300012596676	0	51	0.0	-73.90	395.96	8.01	-65.89
CC1CC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC[N@H+]1C	REAL300012596676	1	51	0.0	-69.82	402.80	8.37	-61.45
CC1CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC[N@@H+]1C	REAL300012596677	0	49	0.0	-74.37	361.81	5.45	-68.92
CC1CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC[N@H+]1C	REAL300012596677	1	49	0.0	-74.33	370.68	5.35	-68.98
CC1CC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596678	0	48	0.0	-70.34	372.24	7.59	-62.75
CC1CC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596678	1	48	0.0	-69.38	379.23	8.06	-61.32
CC1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596679	0	48	0.0	-71.94	372.23	7.58	-64.36
CC1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596679	1	48	0.0	-70.68	378.70	8.00	-62.68
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC[N@@H+]1C	REAL300012596680	0	51	0.0	-76.14	384.51	8.73	-67.41
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC[N@H+]1C	REAL300012596680	1	51	0.0	-75.03	390.78	9.16	-65.87
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC[N@@H+]1C	REAL300012596681	0	49	0.0	-76.40	386.40	6.58	-69.82
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC[N@H+]1C	REAL300012596681	1	49	0.0	-74.27	394.45	6.96	-67.31
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])CC[N@@H+]1C	REAL300012596682	0	43	0.0	-77.87	317.92	7.65	-70.22
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])CC[N@H+]1C	REAL300012596682	1	43	0.0	-78.28	317.30	7.52	-70.76
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1C	REAL300012596683	0	48	0.0	-73.92	351.41	7.35	-66.57
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1C	REAL300012596683	1	48	0.0	-71.70	358.69	7.75	-63.95
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300012596684	0	48	0.0	-72.94	372.69	7.98	-64.96
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC(Br)=C2)CC[N@H+]1C	REAL300012596684	1	48	0.0	-72.96	372.68	7.98	-64.98
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC[N@@H+]1C	REAL300012596685	0	41	0.0	-66.78	319.98	6.82	-59.96
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC[N@H+]1C	REAL300012596685	1	41	0.0	-70.65	319.71	6.98	-63.67
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC[N@@H+]1C	REAL300012596686	0	41	0.0	-66.78	319.98	6.82	-59.96
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC[N@H+]1C	REAL300012596686	1	41	0.0	-70.65	319.71	6.98	-63.67
CC1CC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC[N@@H+]1C	REAL300012596687	0	54	0.0	-59.41	393.72	4.81	-54.60
CC1CC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC[N@H+]1C	REAL300012596687	1	54	0.0	-61.35	401.00	5.19	-56.16
CC1CC(NC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC[N@@H+]1C	REAL300012596688	1	58	0.0	-59.50	419.12	4.75	-54.75
CC1CC(NC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC[N@H+]1C	REAL300012596688	1	58	0.0	-61.11	426.20	5.06	-56.05
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@H+](C)C(C)C1	REAL300012596689	0	49	0.0	-58.36	361.72	9.29	-49.07
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@@H+](C)C(C)C1	REAL300012596689	1	49	0.0	-58.60	369.40	9.74	-48.86
CC1CC(NC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC[N@@H+]1C	REAL300012596690	0	52	0.0	-64.03	370.64	9.55	-54.48
CC1CC(NC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC[N@H+]1C	REAL300012596690	1	52	0.0	-63.36	377.91	9.95	-53.41
CC1CC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC[N@@H+]1C	REAL300012596691	0	50	0.0	-72.79	363.46	7.73	-65.06
CC1CC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC[N@H+]1C	REAL300012596691	1	50	0.0	-70.80	363.26	7.80	-63.00
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1C	REAL300012596692	0	45	0.0	-72.46	343.62	6.57	-65.89
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1C	REAL300012596692	1	45	0.0	-71.98	350.91	6.97	-65.01
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC[N@@H+]1C	REAL300012596693	0	48	0.0	-69.61	382.32	7.58	-62.03
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC[N@H+]1C	REAL300012596693	1	48	0.0	-67.32	389.41	8.05	-59.27
CC1CC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596694	0	50	0.0	-74.50	383.74	6.52	-67.98
CC1CC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596694	1	50	0.0	-74.02	391.02	6.92	-67.10
CC1CC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC[N@@H+]1C	REAL300012596695	0	44	0.0	-69.74	352.03	4.61	-65.13
CC1CC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC[N@H+]1C	REAL300012596695	1	44	0.0	-74.95	352.36	4.65	-70.30
CC1CC(NC(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-])CC[N@@H+]1C	REAL300012596696	0	48	0.0	-73.06	382.85	7.76	-65.30
CC1CC(NC(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-])CC[N@H+]1C	REAL300012596696	1	48	0.0	-75.83	384.80	8.08	-67.75
CC1CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC[N@@H+]1C	REAL300012596697	0	45	0.0	-69.08	371.92	6.33	-62.75
CC1CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC[N@H+]1C	REAL300012596697	1	45	0.0	-67.50	371.90	6.33	-61.17
CC1CC(NC(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)CC[N@@H+]1C	REAL300012596698	0	42	0.0	-68.79	355.91	6.26	-62.53
CC1CC(NC(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)CC[N@H+]1C	REAL300012596698	1	42	0.0	-69.58	363.16	6.67	-62.91
CC1CC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC[N@@H+]1C	REAL300012596699	0	45	0.0	-86.66	336.52	3.95	-82.71
CC1CC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC[N@H+]1C	REAL300012596699	1	45	0.0	-86.61	336.63	3.97	-82.64
CC1CC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC[N@@H+]1C	REAL300012596700	0	46	0.0	-72.02	334.30	5.65	-66.37
CC1CC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC[N@H+]1C	REAL300012596700	1	46	0.0	-73.67	337.82	6.52	-67.15
CC1CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1C	REAL300012596701	0	45	0.0	-73.25	342.98	6.61	-66.64
CC1CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1C	REAL300012596701	1	45	0.0	-73.32	350.88	6.97	-66.35
CC1CC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC[N@@H+]1C	REAL300012596702	0	48	0.0	-76.85	353.20	6.00	-70.85
CC1CC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC[N@H+]1C	REAL300012596702	1	48	0.0	-72.77	364.58	6.36	-66.41
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[N@H+](C)C(C)C1)C(=O)[O-]	REAL300012596703	0	54	0.0	-75.22	391.45	5.77	-69.45
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[N@@H+](C)C(C)C1)C(=O)[O-]	REAL300012596703	1	54	0.0	-73.47	395.19	6.08	-67.39
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC[N@@H+]1C	REAL300012596704	0	51	0.0	-75.63	353.21	7.03	-68.60
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC[N@H+]1C	REAL300012596704	1	51	0.0	-76.17	358.64	7.23	-68.94
CC1CC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596705	0	51	0.0	-73.72	374.66	9.53	-64.19
CC1CC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596705	1	51	0.0	-72.94	383.75	9.89	-63.05
CC1CCC(NC(=O)NC2CC[N@H+](C)C(C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012596706	0	55	0.0	-80.20	392.70	9.01	-71.19
CC1CCC(NC(=O)NC2CC[N@@H+](C)C(C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012596706	1	55	0.0	-74.23	399.60	9.28	-64.95
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[N@H+](C)C(C)C1)C(=O)[O-]	REAL300012596707	0	54	0.0	-73.01	392.00	5.73	-67.28
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[N@@H+](C)C(C)C1)C(=O)[O-]	REAL300012596707	1	54	0.0	-72.48	399.28	6.13	-66.35
CC1CC(NC(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)CC[N@@H+]1C	REAL300012596708	0	59	0.0	-78.93	444.78	8.99	-69.94
CC1CC(NC(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)CC[N@H+]1C	REAL300012596708	1	59	0.0	-75.07	452.14	9.31	-65.76
CC1CC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC[N@@H+]1C	REAL300012596709	0	53	0.0	-64.57	385.85	10.12	-54.45
CC1CC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC[N@H+]1C	REAL300012596709	1	53	0.0	-66.21	385.52	10.04	-56.17
CC1CC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC[N@@H+]1C	REAL300012596710	0	49	0.0	-83.07	375.73	6.73	-76.34
CC1CC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC[N@H+]1C	REAL300012596710	1	49	0.0	-82.50	375.96	6.71	-75.79
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[N@H+](C)C(C)C1)C(=O)[O-]	REAL300012596711	0	51	0.0	-72.13	382.60	7.93	-64.20
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[N@@H+](C)C(C)C1)C(=O)[O-]	REAL300012596711	1	51	0.0	-72.00	388.06	8.24	-63.76
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC[N@@H+]1C	REAL300012596712	0	52	0.0	-74.51	380.32	7.71	-66.80
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC[N@H+]1C	REAL300012596712	1	52	0.0	-71.50	381.98	8.72	-62.78
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC[N@@H+]1C	REAL300012596713	0	58	0.0	-77.15	399.88	7.27	-69.88
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC[N@H+]1C	REAL300012596713	1	58	0.0	-72.57	406.98	7.60	-64.97
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC[N@@H+]1C	REAL300012596714	0	51	0.0	-72.94	361.19	6.71	-66.23
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC[N@H+]1C	REAL300012596714	1	51	0.0	-73.71	373.40	7.36	-66.35
CC1CC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC[N@@H+]1C	REAL300012596715	0	52	0.0	-74.07	379.90	6.31	-67.76
CC1CC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC[N@H+]1C	REAL300012596715	1	52	0.0	-75.26	388.11	6.09	-69.17
CC1CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC[N@@H+]1C	REAL300012596716	0	52	0.0	-55.81	360.52	8.63	-47.18
CC1CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC[N@H+]1C	REAL300012596716	1	52	0.0	-56.61	353.29	8.23	-48.38
CC1CC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC[N@@H+]1C	REAL300012596717	0	52	0.0	-76.15	357.47	5.50	-70.65
CC1CC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC[N@H+]1C	REAL300012596717	1	52	0.0	-75.61	364.74	5.92	-69.69
CC1CC(NC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC[N@@H+]1C	REAL300012596718	0	51	0.0	-76.41	404.27	8.87	-67.54
CC1CC(NC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC[N@H+]1C	REAL300012596718	1	51	0.0	-73.92	404.00	9.46	-64.46
CC1=CC=CC2=C1CCN(C(=O)NC1CC[N@H+](C)C(C)C1)C2C(=O)[O-]	REAL300012596719	0	52	0.0	-85.24	371.13	10.04	-75.20
CC1=CC=CC2=C1CCN(C(=O)NC1CC[N@@H+](C)C(C)C1)C2C(=O)[O-]	REAL300012596719	1	52	0.0	-87.35	371.37	10.10	-77.25
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC[N@@H+]1C	REAL300012596720	0	52	0.0	-74.51	380.32	7.71	-66.80
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC[N@H+]1C	REAL300012596720	1	52	0.0	-71.50	381.98	8.72	-62.78
CC1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596721	0	48	0.0	-76.69	372.26	7.73	-68.96
CC1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596721	1	48	0.0	-71.38	371.62	7.68	-63.70
CC1CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC[N@@H+]1C	REAL300012596722	0	42	0.0	-72.81	317.26	5.22	-67.59
CC1CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC[N@H+]1C	REAL300012596722	1	42	0.0	-77.27	320.58	5.97	-71.30
CC1CC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC[N@@H+]1C	REAL300012596723	0	45	0.0	-70.58	347.62	6.66	-63.92
CC1CC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC[N@H+]1C	REAL300012596723	1	45	0.0	-67.54	357.54	6.27	-61.27
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC[N@@H+]1C	REAL300012596724	0	41	0.0	-66.31	322.53	5.23	-61.08
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC[N@H+]1C	REAL300012596724	1	41	0.0	-66.57	323.35	5.35	-61.22
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC[N@@H+]1C	REAL300012596725	0	49	0.0	-72.16	357.75	5.22	-66.94
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC[N@H+]1C	REAL300012596725	1	49	0.0	-68.67	364.83	5.54	-63.13
CC1CC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC[N@@H+]1C	REAL300012596726	0	45	0.0	-73.81	357.75	6.58	-67.23
CC1CC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC[N@H+]1C	REAL300012596726	1	45	0.0	-69.30	365.09	6.96	-62.34
COCC(NC(=O)NC1CC[N@H+](C)C(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012596727	0	52	0.0	-71.49	384.61	6.56	-64.93
COCC(NC(=O)NC1CC[N@@H+](C)C(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012596727	1	52	0.0	-71.01	391.90	6.96	-64.05
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](C)C(C)C1	REAL300012596728	0	51	0.0	-56.08	375.35	10.48	-45.60
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](C)C(C)C1	REAL300012596728	1	51	0.0	-75.49	380.90	10.60	-64.89
CC1CC(NC(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596729	0	48	0.0	-71.65	387.11	8.14	-63.51
CC1CC(NC(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596729	1	48	0.0	-72.40	386.50	8.23	-64.17
CC1CC(NC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596730	0	52	0.0	-76.69	405.06	7.10	-69.59
CC1CC(NC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596730	1	52	0.0	-71.67	412.11	7.56	-64.11
CC1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC[N@@H+]1C	REAL300012596731	0	54	0.0	-71.03	387.57	7.77	-63.26
CC1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC[N@H+]1C	REAL300012596731	1	54	0.0	-71.03	395.12	8.09	-62.94
CC1CC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596732	0	51	0.0	-73.03	388.02	8.31	-64.72
CC1CC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596732	1	51	0.0	-73.03	396.15	8.68	-64.35
CC1CC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596733	0	51	0.0	-75.15	389.07	8.38	-66.77
CC1CC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596733	1	51	0.0	-73.58	388.84	8.28	-65.30
CC1CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC[N@@H+]1C	REAL300012596734	0	52	0.0	-73.06	366.99	7.07	-65.99
CC1CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC[N@H+]1C	REAL300012596734	1	52	0.0	-72.50	374.50	7.62	-64.88
CC1CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC[N@@H+]1C	REAL300012596735	0	54	0.0	-71.59	387.82	7.70	-63.89
CC1CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC[N@H+]1C	REAL300012596735	1	54	0.0	-70.52	394.87	8.17	-62.35
CC1CC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC[N@@H+]1C	REAL300012596736	0	54	0.0	-73.44	387.83	7.70	-65.74
CC1CC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC[N@H+]1C	REAL300012596736	1	54	0.0	-72.49	394.82	8.16	-64.33
CC1CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC[N@@H+]1C	REAL300012596737	0	52	0.0	-55.67	369.13	8.42	-47.25
CC1CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC[N@H+]1C	REAL300012596737	1	52	0.0	-54.85	376.36	8.73	-46.12
CC1CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC[N@@H+]1C	REAL300012596738	0	52	0.0	-78.92	366.81	8.93	-69.99
CC1CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC[N@H+]1C	REAL300012596738	1	52	0.0	-84.53	368.33	8.85	-75.68
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC[N@@H+]1C	REAL300012596739	0	52	0.0	-78.81	407.96	7.28	-71.53
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC[N@H+]1C	REAL300012596739	1	52	0.0	-73.89	414.99	7.58	-66.31
COC1=CC=C(CC(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])C=C1	REAL300012596740	0	52	0.0	-72.97	394.47	6.83	-66.14
COC1=CC=C(CC(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])C=C1	REAL300012596740	1	52	0.0	-75.10	395.53	6.88	-68.22
C=CCSCC(NC(=O)NC1CC[N@H+](C)C(C)C1)C(=O)[O-]	REAL300012596741	0	46	0.0	-69.61	364.95	6.44	-63.17
C=CCSCC(NC(=O)NC1CC[N@@H+](C)C(C)C1)C(=O)[O-]	REAL300012596741	1	46	0.0	-70.22	365.64	6.37	-63.85
CC1CC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596742	0	49	0.0	-72.88	386.61	7.91	-64.97
CC1CC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596742	1	49	0.0	-70.41	393.69	8.38	-62.03
CC1CC(NC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC[N@@H+]1C	REAL300012596743	0	52	0.0	-77.50	397.32	7.82	-69.68
CC1CC(NC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC[N@H+]1C	REAL300012596743	1	52	0.0	-80.55	398.16	7.79	-72.76
COC1=CC=C2NC=C(CC(NC(=O)NC3CC[N@H+](C)C(C)C3)C(=O)[O-])C2=C1	REAL300012596744	0	56	0.0	-75.28	423.74	6.99	-68.29
COC1=CC=C2NC=C(CC(NC(=O)NC3CC[N@@H+](C)C(C)C3)C(=O)[O-])C2=C1	REAL300012596744	1	56	0.0	-83.11	436.37	7.20	-75.91
COC1(C(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])CCC1	REAL300012596745	0	49	0.0	-74.33	356.06	4.36	-69.97
COC1(C(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])CCC1	REAL300012596745	1	49	0.0	-69.26	361.39	4.58	-64.68
CC1CC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC[N@@H+]1C	REAL300012596746	0	51	0.0	-73.08	362.23	6.78	-66.30
CC1CC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC[N@H+]1C	REAL300012596746	1	51	0.0	-74.82	362.45	6.86	-67.96
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC[N@@H+]1C	REAL300012596747	0	52	0.0	-75.86	374.94	8.62	-67.24
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC[N@H+]1C	REAL300012596747	1	52	0.0	-73.72	382.19	9.01	-64.71
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC[N@@H+]1C	REAL300012596748	0	45	0.0	-81.22	340.51	6.12	-75.10
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC[N@H+]1C	REAL300012596748	1	45	0.0	-82.23	343.65	6.79	-75.44
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC[N@@H+]1C	REAL300012596750	0	57	0.0	-75.09	420.04	8.98	-66.11
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC[N@H+]1C	REAL300012596750	1	57	0.0	-73.17	419.81	9.05	-64.12
CC(C)C1=CC=C(C(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])C=C1	REAL300012596751	0	54	0.0	-75.02	404.07	8.59	-66.43
CC(C)C1=CC=C(C(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])C=C1	REAL300012596751	1	54	0.0	-71.13	410.88	8.98	-62.15
CCOC1=CC=C(C(NC(=O)NC2CC[N@H+](C)C(C)C2)C(=O)[O-])C=C1	REAL300012596752	0	52	0.0	-73.02	394.72	6.87	-66.15
CCOC1=CC=C(C(NC(=O)NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])C=C1	REAL300012596752	1	52	0.0	-71.15	402.22	7.19	-63.96
CC1CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC[N@@H+]1C	REAL300012596753	0	52	0.0	-80.59	362.03	9.37	-71.22
CC1CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC[N@H+]1C	REAL300012596753	1	52	0.0	-79.93	361.23	9.02	-70.91
CC1CC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC[N@@H+]1C	REAL300012596754	0	52	0.0	-73.19	384.08	8.46	-64.73
CC1CC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC[N@H+]1C	REAL300012596754	1	52	0.0	-78.71	390.49	9.13	-69.58
CC1CC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596755	0	52	0.0	-77.98	386.03	7.61	-70.37
CC1CC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596755	1	52	0.0	-75.63	393.33	8.01	-67.62
CC1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC[N@@H+]1C	REAL300012596756	0	48	0.0	-76.29	380.05	7.58	-68.71
CC1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC[N@H+]1C	REAL300012596756	1	48	0.0	-75.22	386.31	7.93	-67.29
CC1CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC[N@@H+]1C	REAL300012596757	0	49	0.0	-55.32	353.04	7.89	-47.43
CC1CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC[N@H+]1C	REAL300012596757	1	49	0.0	-59.14	354.17	7.95	-51.19
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC[N@@H+]1C	REAL300012596758	0	49	0.0	-72.16	357.75	5.22	-66.94
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC[N@H+]1C	REAL300012596758	1	49	0.0	-68.67	364.83	5.54	-63.13
CC1CC(NC(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596759	0	48	0.0	-75.86	387.15	8.27	-67.59
CC1CC(NC(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596759	1	48	0.0	-71.36	386.50	8.23	-63.13
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](C)C(C)C2)C1	REAL300012596760	0	46	0.0	-76.15	349.69	7.64	-68.51
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](C)C(C)C2)C1	REAL300012596760	1	46	0.0	-78.02	349.52	7.64	-70.38
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC[N@@H+]1C	REAL300012596761	0	49	0.0	-77.06	345.42	7.09	-69.97
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC[N@H+]1C	REAL300012596761	1	49	0.0	-77.66	349.67	7.80	-69.86
CC1CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC[N@@H+]1C	REAL300012596762	0	49	0.0	-76.69	364.32	7.46	-69.23
CC1CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC[N@H+]1C	REAL300012596762	1	49	0.0	-72.93	358.44	7.21	-65.72
CC1CC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596763	0	51	0.0	-70.22	374.44	9.45	-60.77
CC1CC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596763	1	51	0.0	-70.23	383.70	9.98	-60.25
CC1CC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC[N@@H+]1C	REAL300012596764	0	55	0.0	-55.75	382.99	8.84	-46.91
CC1CC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC[N@H+]1C	REAL300012596764	1	55	0.0	-58.81	382.97	8.84	-49.97
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC[N@@H+]1C	REAL300012596765	0	48	0.0	-61.31	364.38	9.32	-51.99
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC[N@H+]1C	REAL300012596765	1	48	0.0	-58.00	371.61	9.72	-48.28
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC[N@@H+]1C	REAL300012596766	0	55	0.0	-75.68	418.03	10.06	-65.62
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC[N@H+]1C	REAL300012596766	1	55	0.0	-72.29	425.09	10.38	-61.91
CC1CC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC[N@@H+]1C	REAL300012596767	0	49	0.0	-59.07	370.76	8.99	-50.08
CC1CC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC[N@H+]1C	REAL300012596767	1	49	0.0	-61.21	370.63	9.07	-52.14
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC[N@@H+]1C	REAL300012596768	0	51	0.0	-71.71	390.36	8.44	-63.27
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC[N@H+]1C	REAL300012596768	1	51	0.0	-71.71	390.35	8.43	-63.28
CC1CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC[N@@H+]1C	REAL300012596769	0	45	0.0	-76.89	328.30	7.51	-69.38
CC1CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC[N@H+]1C	REAL300012596769	1	45	0.0	-78.10	329.01	7.76	-70.34
CC1CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC[N@@H+]1C	REAL300012596770	0	42	0.0	-84.46	320.41	6.22	-78.24
CC1CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC[N@H+]1C	REAL300012596770	1	42	0.0	-82.09	323.22	6.87	-75.22
CC1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596771	0	48	0.0	-76.69	372.26	7.73	-68.96
CC1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596771	1	48	0.0	-71.38	371.62	7.68	-63.70
CC1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596772	0	45	0.0	-73.03	356.91	6.50	-66.53
CC1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596772	1	45	0.0	-69.92	363.83	6.90	-63.02
CC1CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC[N@@H+]1C	REAL300012596773	0	45	0.0	-69.54	335.49	7.08	-62.46
CC1CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC[N@H+]1C	REAL300012596773	1	45	0.0	-69.04	342.59	7.47	-61.57
CC1CC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC[N@@H+]1C	REAL300012596774	0	49	0.0	-75.49	377.91	7.63	-67.86
CC1CC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC[N@H+]1C	REAL300012596774	1	49	0.0	-76.25	370.86	7.30	-68.95
CC1CC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC[N@@H+]1C	REAL300012596775	0	53	0.0	-74.66	400.67	9.22	-65.44
CC1CC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC[N@H+]1C	REAL300012596775	1	53	0.0	-79.20	394.69	8.95	-70.25
CC1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596776	0	45	0.0	-73.03	356.91	6.50	-66.53
CC1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596776	1	45	0.0	-69.92	363.83	6.90	-63.02
CC1CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC[N@@H+]1C	REAL300012596777	0	49	0.0	-79.06	348.49	8.50	-70.56
CC1CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC[N@H+]1C	REAL300012596777	1	49	0.0	-81.07	345.06	7.51	-73.56
COCCCC(NC(=O)NC1CC[N@H+](C)C(C)C1)C(=O)[O-]	REAL300012596778	0	48	0.0	-73.08	362.59	4.48	-68.60
COCCCC(NC(=O)NC1CC[N@@H+](C)C(C)C1)C(=O)[O-]	REAL300012596778	1	48	0.0	-69.96	369.91	4.73	-65.23
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC[N@@H+]1C	REAL300012596779	0	49	0.0	-75.51	358.19	5.05	-70.46
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC[N@H+]1C	REAL300012596779	1	49	0.0	-74.02	362.59	5.00	-69.02
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300012596780	0	45	0.0	-70.94	364.87	7.20	-63.74
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC[N@H+]1C	REAL300012596780	1	45	0.0	-70.50	364.66	7.28	-63.22
CC1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC[N@@H+]1C	REAL300012596781	0	49	0.0	-73.90	363.05	7.82	-66.08
CC1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC[N@H+]1C	REAL300012596781	1	49	0.0	-75.54	363.29	7.89	-67.65
CC1CC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC[N@@H+]1C	REAL300012596782	0	48	0.0	-73.92	355.72	7.76	-66.16
CC1CC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC[N@H+]1C	REAL300012596782	1	48	0.0	-72.21	349.25	7.40	-64.81
CC1CC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC[N@@H+]1C	REAL300012596783	0	59	0.0	-78.29	399.54	8.76	-69.53
CC1CC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC[N@H+]1C	REAL300012596783	1	59	0.0	-77.60	398.60	8.69	-68.91
CC1CC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC[N@@H+]1C	REAL300012596784	0	51	0.0	-78.27	395.75	7.90	-70.37
CC1CC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC[N@H+]1C	REAL300012596784	1	51	0.0	-75.00	403.08	8.15	-66.85
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC[N@@H+]1C	REAL300012596785	0	45	0.0	-59.05	346.04	7.46	-51.59
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC[N@H+]1C	REAL300012596785	1	45	0.0	-61.33	353.33	7.86	-53.47
CC1CC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC[N@@H+]1C	REAL300012596786	0	56	0.0	-77.90	385.85	8.46	-69.44
CC1CC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC[N@H+]1C	REAL300012596786	1	56	0.0	-82.39	382.98	8.67	-73.72
CC1CC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC[N@@H+]1C	REAL300012596787	0	47	0.0	-70.41	377.65	6.28	-64.13
CC1CC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC[N@H+]1C	REAL300012596787	1	47	0.0	-67.20	384.73	6.60	-60.60
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](C)C(C)C2)C1	REAL300012596788	0	49	0.0	-81.30	364.65	7.09	-74.21
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](C)C(C)C2)C1	REAL300012596788	1	49	0.0	-80.20	361.57	6.42	-73.78
CC(C)C[C@H](NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596789	0	49	0.0	-71.95	360.50	3.90	-68.05
CC(C)C[C@H](NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596789	1	49	0.0	-73.07	367.63	4.29	-68.78
C=CCOCC(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596790	0	48	0.0	-75.68	368.92	2.29	-73.39
C=CCOCC(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596790	1	48	0.0	-80.28	369.10	2.41	-77.87
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012596791	0	51	0.0	-77.76	369.66	2.59	-75.17
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012596791	1	51	0.0	-72.33	370.67	2.64	-69.69
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012596792	0	47	0.0	-69.71	371.33	4.64	-65.07
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012596792	1	47	0.0	-72.70	371.41	4.76	-67.94
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012596793	0	47	0.0	-69.67	381.22	5.09	-64.58
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012596793	1	47	0.0	-72.38	381.06	5.30	-67.08
COC1CCN(C(=O)NCC2C[N@H+](C)CCN2C)C(C(=O)[O-])C1	REAL300012596794	0	51	0.0	-88.48	362.37	4.51	-83.97
COC1CCN(C(=O)NCC2C[N@@H+](C)CCN2C)C(C(=O)[O-])C1	REAL300012596794	1	51	0.0	-85.89	364.39	4.50	-81.39
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012596795	0	51	0.0	-71.56	380.00	3.10	-68.46
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012596795	1	51	0.0	-77.15	367.07	2.39	-74.76
CC1CCN(C(=O)NCC2C[N@H+](C)CCN2C)C(C(=O)[O-])C1	REAL300012596796	0	50	0.0	-88.48	353.12	6.28	-82.20
CC1CCN(C(=O)NCC2C[N@@H+](C)CCN2C)C(C(=O)[O-])C1	REAL300012596796	1	50	0.0	-87.73	346.95	6.07	-81.66
CC1=CC(C(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])=CC=C1F	REAL300012596797	0	50	0.0	-75.01	384.83	5.38	-69.63
CC1=CC(C(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])=CC=C1F	REAL300012596797	1	50	0.0	-75.50	392.52	5.75	-69.75
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012596798	0	52	0.0	-79.23	394.52	4.37	-74.86
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012596798	1	52	0.0	-74.21	394.69	4.49	-69.72
CC1=CC(C(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])=CC(C)=C1	REAL300012596799	0	53	0.0	-80.37	400.80	5.88	-74.49
CC1=CC(C(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])=CC(C)=C1	REAL300012596799	1	53	0.0	-75.10	401.57	5.97	-69.13
CC1=CC=C(C(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])C=C1C	REAL300012596800	0	53	0.0	-76.49	396.77	5.81	-70.68
CC1=CC=C(C(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])C=C1C	REAL300012596800	1	53	0.0	-79.85	404.21	6.26	-73.59
COC1=CC=C(C(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])C=C1Cl	REAL300012596801	0	51	0.0	-75.91	411.33	4.92	-70.99
COC1=CC=C(C(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])C=C1Cl	REAL300012596801	1	51	0.0	-73.00	404.15	4.38	-68.62
CC1=CC=CC(C(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])=C1C	REAL300012596802	0	53	0.0	-79.64	388.06	5.60	-74.04
CC1=CC=CC(C(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])=C1C	REAL300012596802	1	53	0.0	-72.93	396.94	6.23	-66.70
COC1=CC=C(C(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])C=C1F	REAL300012596803	0	51	0.0	-76.54	401.76	4.34	-72.20
COC1=CC=C(C(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])C=C1F	REAL300012596803	1	51	0.0	-72.65	394.10	3.98	-68.67
CC(C(=O)[O-])N(C(=O)NCC1C[N@H+](C)CCN1C)C1CCC1	REAL300012596804	0	50	0.0	-57.05	362.17	5.92	-51.13
CC(C(=O)[O-])N(C(=O)NCC1C[N@@H+](C)CCN1C)C1CCC1	REAL300012596804	1	50	0.0	-63.80	362.14	5.86	-57.94
CCCN(C(=O)NCC1C[N@H+](C)CCN1C)C(COC)C(=O)[O-]	REAL300012596805	0	53	0.0	-78.82	384.80	6.09	-72.73
CCCN(C(=O)NCC1C[N@@H+](C)CCN1C)C(COC)C(=O)[O-]	REAL300012596805	1	53	0.0	-82.85	384.87	6.03	-76.82
CCCN(C(=O)NCC1C[N@H+](C)CCN1C)C(CC)C(=O)[O-]	REAL300012596806	0	52	0.0	-69.84	368.32	6.00	-63.84
CCCN(C(=O)NCC1C[N@@H+](C)CCN1C)C(CC)C(=O)[O-]	REAL300012596806	1	52	0.0	-48.16	366.56	6.72	-41.44
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012596807	0	47	0.0	-72.36	375.35	5.04	-67.32
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012596807	1	47	0.0	-75.06	382.16	5.53	-69.53
CN1CC[N@H+](C)CC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012596808	0	45	0.0	-84.78	340.08	6.20	-78.58
CN1CC[N@@H+](C)CC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012596808	1	45	0.0	-85.31	332.57	5.73	-79.58
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012596809	0	50	0.0	-78.45	351.96	4.66	-73.79
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012596809	1	50	0.0	-83.00	352.14	4.79	-78.21
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012596810	0	53	0.0	-83.48	365.23	5.90	-77.58
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012596810	1	53	0.0	-84.21	357.79	5.45	-78.76
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012596811	0	50	0.0	-80.86	379.99	5.48	-75.38
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012596811	1	50	0.0	-74.41	381.00	5.58	-68.83
CN1CC[N@H+](C)CC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012596812	0	50	0.0	-54.37	373.31	6.99	-47.38
CN1CC[N@@H+](C)CC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012596812	1	50	0.0	-54.92	379.56	7.39	-47.53
CN1CC[N@H+](C)CC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012596813	0	47	0.0	-78.15	366.23	5.10	-73.05
CN1CC[N@@H+](C)CC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012596813	1	47	0.0	-74.97	365.80	5.06	-69.91
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012596814	0	47	0.0	-78.78	358.68	4.65	-74.13
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012596814	1	47	0.0	-74.94	365.82	5.06	-69.88
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012596815	0	50	0.0	-80.86	379.99	5.48	-75.38
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012596815	1	50	0.0	-74.41	381.00	5.58	-68.83
CCC(C)C(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596816	0	49	0.0	-71.11	354.83	3.74	-67.37
CCC(C)C(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596816	1	49	0.0	-80.36	357.45	3.66	-76.70
CCCC(C)(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596817	0	49	0.0	-72.80	348.25	3.71	-69.09
CCCC(C)(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596817	1	49	0.0	-72.82	348.19	3.72	-69.10
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596818	0	49	0.0	-53.93	356.36	5.44	-48.49
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596818	1	49	0.0	-64.01	356.39	5.45	-58.56
CN1CC[N@H+](C)CC1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012596819	0	51	0.0	-88.07	377.35	8.04	-80.03
CN1CC[N@@H+](C)CC1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012596819	1	51	0.0	-85.94	377.83	8.13	-77.81
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012596820	0	44	0.0	-73.45	350.00	3.69	-69.76
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012596820	1	44	0.0	-72.13	350.29	3.74	-68.39
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012596821	0	50	0.0	-78.45	351.96	4.66	-73.79
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012596821	1	50	0.0	-83.00	352.14	4.79	-78.21
CN1CC[N@H+](C)CC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012596822	0	50	0.0	-61.92	396.21	7.92	-54.00
CN1CC[N@@H+](C)CC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012596822	1	50	0.0	-60.79	390.22	7.62	-53.17
CN1CC[N@H+](C)CC1CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012596823	0	54	0.0	-81.14	409.16	5.69	-75.45
CN1CC[N@@H+](C)CC1CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012596823	1	54	0.0	-75.98	410.09	5.67	-70.31
CC[C@H](C)[C@H](NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596824	0	49	0.0	-78.25	359.46	3.84	-74.41
CC[C@H](C)[C@H](NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596824	1	49	0.0	-72.75	361.20	3.98	-68.77
COC1=CC(CN(CC(=O)[O-])C(=O)NCC2C[N@H+](C)CCN2C)=CC(OC)=C1	REAL300012596825	0	58	0.0	-59.02	445.73	6.33	-52.69
COC1=CC(CN(CC(=O)[O-])C(=O)NCC2C[N@@H+](C)CCN2C)=CC(OC)=C1	REAL300012596825	1	58	0.0	-59.18	432.23	5.60	-53.58
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012596826	0	47	0.0	-72.21	379.92	5.15	-67.06
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012596826	1	47	0.0	-74.94	386.73	5.64	-69.30
CN1CC[N@H+](C)CC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012596827	0	50	0.0	-62.04	385.88	7.46	-54.58
CN1CC[N@@H+](C)CC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012596827	1	50	0.0	-61.46	379.90	7.17	-54.29
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012596828	0	51	0.0	-81.18	385.55	6.41	-74.77
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012596828	1	51	0.0	-81.83	378.25	5.90	-75.93
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012596829	0	47	0.0	-74.02	369.57	4.81	-69.21
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012596829	1	47	0.0	-74.50	369.58	4.79	-69.71
CN1CC[N@H+](C)CC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012596830	0	50	0.0	-75.29	366.42	5.44	-69.85
CN1CC[N@@H+](C)CC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012596830	1	50	0.0	-74.39	374.14	5.84	-68.55
CCCCCCC(C)(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596831	0	58	0.0	-73.02	412.75	6.04	-66.98
CCCCCCC(C)(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596831	1	58	0.0	-72.98	412.68	6.05	-66.93
CN(C(=O)NCC1C[N@H+](C)CCN1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012596832	0	53	0.0	-72.69	398.83	7.98	-64.71
CN(C(=O)NCC1C[N@@H+](C)CCN1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012596832	1	53	0.0	-78.91	391.45	7.70	-71.21
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012596833	0	47	0.0	-72.36	375.35	5.04	-67.32
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012596833	1	47	0.0	-75.06	382.16	5.53	-69.53
CN1CC[N@H+](C)CC1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012596834	0	45	0.0	-83.22	331.01	3.65	-79.57
CN1CC[N@@H+](C)CC1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012596834	1	45	0.0	-83.68	323.37	3.19	-80.49
CN(C(=O)NCC1C[N@H+](C)CCN1C)C1(C(=O)[O-])CCCCC1	REAL300012596835	0	53	0.0	-86.00	360.91	6.00	-80.00
CN(C(=O)NCC1C[N@@H+](C)CCN1C)C1(C(=O)[O-])CCCCC1	REAL300012596835	1	53	0.0	-79.30	368.20	6.36	-72.94
CN1CC[N@H+](C)CC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012596836	0	53	0.0	-56.49	396.56	7.84	-48.65
CN1CC[N@@H+](C)CC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012596836	1	53	0.0	-56.19	404.02	8.29	-47.90
CN(C(=O)NCC1C[N@H+](C)CCN1C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012596837	0	50	0.0	-71.75	369.72	6.52	-65.23
CN(C(=O)NCC1C[N@@H+](C)CCN1C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012596837	1	50	0.0	-71.63	365.40	6.17	-65.46
COCCN(CC(=O)[O-])C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596838	0	47	0.0	-55.39	351.83	3.56	-51.83
COCCN(CC(=O)[O-])C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596838	1	47	0.0	-64.90	351.86	3.57	-61.33
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012596839	0	51	0.0	-81.26	373.30	5.63	-75.63
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012596839	1	51	0.0	-84.16	373.34	5.72	-78.44
CN1CC[N@H+](C)CC1CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012596840	0	54	0.0	-86.73	422.13	6.04	-80.69
CN1CC[N@@H+](C)CC1CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012596840	1	54	0.0	-82.09	421.97	5.92	-76.17
CN1CC[N@H+](C)CC1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012596841	0	50	0.0	-82.01	346.85	6.45	-75.56
CN1CC[N@@H+](C)CC1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012596841	1	50	0.0	-86.25	347.21	6.38	-79.87
CCCCC(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596842	0	49	0.0	-78.05	365.61	4.12	-73.93
CCCCC(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596842	1	49	0.0	-73.62	365.20	4.06	-69.56
CN1CC[N@H+](C)CC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012596843	0	53	0.0	-56.49	396.56	7.84	-48.65
CN1CC[N@@H+](C)CC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012596843	1	53	0.0	-56.19	404.02	8.29	-47.90
CN1CC[N@H+](C)CC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012596844	0	50	0.0	-53.21	364.24	6.40	-46.81
CN1CC[N@@H+](C)CC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012596844	1	50	0.0	-53.42	356.89	5.94	-47.48
CCCCCC(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596845	0	52	0.0	-77.72	386.87	4.96	-72.76
CCCCCC(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596845	1	52	0.0	-78.03	387.05	4.91	-73.12
CCC1CCC(NC(=O)NCC2C[N@H+](C)CCN2C)(C(=O)[O-])CC1	REAL300012596846	0	56	0.0	-83.11	391.19	6.03	-77.08
CCC1CCC(NC(=O)NCC2C[N@@H+](C)CCN2C)(C(=O)[O-])CC1	REAL300012596846	1	56	0.0	-75.59	398.64	6.49	-69.10
CN1CC[N@H+](C)CC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012596847	0	51	0.0	-63.99	365.20	4.18	-59.81
CN1CC[N@@H+](C)CC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012596847	1	51	0.0	-63.62	372.62	4.62	-59.00
CN(C(=O)NCC1C[N@H+](C)CCN1C)C1(C(=O)[O-])CCCC1	REAL300012596848	0	50	0.0	-87.41	349.47	5.45	-81.96
CN(C(=O)NCC1C[N@@H+](C)CCN1C)C1(C(=O)[O-])CCCC1	REAL300012596848	1	50	0.0	-86.72	356.91	5.90	-80.82
CCC(C(=O)[O-])N(C(=O)NCC1C[N@H+](C)CCN1C)C1CC1	REAL300012596849	0	50	0.0	-61.68	358.90	5.99	-55.69
CCC(C(=O)[O-])N(C(=O)NCC1C[N@@H+](C)CCN1C)C1CC1	REAL300012596849	1	50	0.0	-59.73	366.30	6.36	-53.37
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012596850	0	47	0.0	-80.77	370.58	5.06	-75.71
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012596850	1	47	0.0	-74.25	377.69	5.60	-68.65
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012596851	0	47	0.0	-83.93	362.26	4.73	-79.20
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012596851	1	47	0.0	-78.93	370.64	5.19	-73.74
CN1CC[N@H+](C)CC1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012596852	0	51	0.0	-65.90	373.52	7.07	-58.83
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012596852	1	51	0.0	-66.84	381.50	7.40	-59.44
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012596853	0	50	0.0	-79.52	395.98	5.81	-73.71
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012596853	1	50	0.0	-78.84	403.46	6.25	-72.59
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012596854	0	56	0.0	-85.09	424.70	7.47	-77.62
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012596854	1	56	0.0	-84.46	432.07	7.92	-76.54
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012596855	0	56	0.0	-74.47	402.53	5.74	-68.73
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012596855	1	56	0.0	-79.09	409.98	6.17	-72.92
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596856	0	53	0.0	-55.02	394.72	8.38	-46.64
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596856	1	53	0.0	-55.19	387.29	7.94	-47.25
CC1=CC=C(C(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])C=C1	REAL300012596857	0	50	0.0	-78.37	379.49	5.36	-73.01
CC1=CC=C(C(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])C=C1	REAL300012596857	1	50	0.0	-79.27	387.42	5.65	-73.62
CN1CC[N@H+](C)CC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012596858	0	43	0.0	-66.92	338.24	3.36	-63.56
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012596858	1	43	0.0	-67.54	338.55	3.26	-64.28
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012596859	0	53	0.0	-75.91	404.68	6.94	-68.97
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012596859	1	53	0.0	-75.36	404.04	6.93	-68.43
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012596860	0	48	0.0	-72.03	357.21	4.89	-67.14
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012596860	1	48	0.0	-73.91	357.08	4.77	-69.14
COCC(C)(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596861	0	47	0.0	-76.94	345.00	2.23	-74.71
COCC(C)(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596861	1	47	0.0	-78.83	344.83	2.11	-76.72
CCOCC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596862	0	50	0.0	-75.20	372.88	4.31	-70.89
CCOCC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596862	1	50	0.0	-70.24	365.52	3.97	-66.27
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596863	0	49	0.0	-53.93	356.36	5.44	-48.49
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596863	1	49	0.0	-64.01	356.39	5.45	-58.56
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596864	0	56	0.0	-49.57	408.15	8.08	-41.49
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596864	1	56	0.0	-60.77	400.09	7.98	-52.79
CN1CC[N@H+](C)CC1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012596865	0	46	0.0	-64.77	360.11	5.54	-59.23
CN1CC[N@@H+](C)CC1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012596865	1	46	0.0	-54.05	360.08	5.52	-48.53
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012596866	0	45	0.0	-78.76	328.17	0.98	-77.78
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012596866	1	45	0.0	-72.11	335.62	1.52	-70.59
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012596867	0	53	0.0	-79.83	381.19	5.03	-74.80
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012596867	1	53	0.0	-79.76	375.68	4.86	-74.90
CN(C(=O)NCC1C[N@H+](C)CCN1C)C(COC1CCC1)C(=O)[O-]	REAL300012596868	0	54	0.0	-75.80	399.43	5.62	-70.18
CN(C(=O)NCC1C[N@@H+](C)CCN1C)C(COC1CCC1)C(=O)[O-]	REAL300012596868	1	54	0.0	-70.29	399.58	5.72	-64.57
CN1CC[N@H+](C)CC1CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012596869	0	54	0.0	-47.35	395.47	8.18	-39.17
CN1CC[N@@H+](C)CC1CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012596869	1	54	0.0	-88.36	397.79	8.49	-79.87
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012596870	0	48	0.0	-75.04	351.02	2.74	-72.30
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012596870	1	48	0.0	-76.92	350.81	2.63	-74.29
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596871	0	53	0.0	-50.36	395.41	8.10	-42.26
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596871	1	53	0.0	-55.84	396.72	8.71	-47.13
CCC(CC)(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596872	0	49	0.0	-74.93	350.40	4.17	-70.76
CCC(CC)(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596872	1	49	0.0	-79.72	343.34	3.84	-75.88
COC1=CC=C(C(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])C=C1	REAL300012596873	0	51	0.0	-78.91	395.51	4.26	-74.65
COC1=CC=C(C(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])C=C1	REAL300012596873	1	51	0.0	-75.82	388.12	3.82	-72.00
CCC(C)N(CC(=O)[O-])C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596874	0	49	0.0	-62.15	353.41	5.75	-56.40
CCC(C)N(CC(=O)[O-])C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596874	1	49	0.0	-63.81	351.21	5.72	-58.09
CCC(COC)(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596875	0	50	0.0	-84.34	361.44	3.15	-81.19
CCC(COC)(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596875	1	50	0.0	-80.07	361.27	3.03	-77.04
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596876	0	53	0.0	-75.82	393.15	5.07	-70.75
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596876	1	53	0.0	-70.08	385.19	4.63	-65.45
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012596877	0	50	0.0	-82.70	376.11	1.21	-81.49
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012596877	1	50	0.0	-83.45	368.67	0.80	-82.65
COCCC(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596878	0	47	0.0	-78.28	356.29	1.63	-76.65
COCCC(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596878	1	47	0.0	-73.62	355.87	1.58	-72.04
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596879	0	52	0.0	-75.05	380.74	6.59	-68.46
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596879	1	52	0.0	-68.37	378.87	6.40	-61.97
CN1CC[N@H+](C)CC1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012596880	0	43	0.0	-68.96	332.82	3.04	-65.92
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012596880	1	43	0.0	-77.13	334.72	2.92	-74.21
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596881	0	53	0.0	-80.53	380.89	6.97	-73.56
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596881	1	53	0.0	-81.37	380.28	7.40	-73.97
CCCN(C(=O)NCC1C[N@H+](C)CCN1C)C(C)C(=O)[O-]	REAL300012596882	0	49	0.0	-55.66	348.58	6.18	-49.48
CCCN(C(=O)NCC1C[N@@H+](C)CCN1C)C(C)C(=O)[O-]	REAL300012596882	1	49	0.0	-69.05	351.74	5.21	-63.84
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596883	0	53	0.0	-47.60	396.73	8.71	-38.89
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596883	1	53	0.0	-47.15	386.49	8.37	-38.78
CCC(NC(=O)NCC1C[N@H+](C)CCN1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012596884	0	53	0.0	-73.80	407.55	7.17	-66.63
CCC(NC(=O)NCC1C[N@@H+](C)CCN1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012596884	1	53	0.0	-72.48	400.21	6.85	-65.63
CCC(NC(=O)NCC1C[N@H+](C)CCN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012596885	0	53	0.0	-81.39	390.74	6.62	-74.77
CCC(NC(=O)NCC1C[N@@H+](C)CCN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012596885	1	53	0.0	-82.07	383.30	6.18	-75.89
COC1CCCC(C(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])C1	REAL300012596886	0	57	0.0	-77.02	413.02	4.23	-72.79
COC1CCCC(C(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])C1	REAL300012596886	1	57	0.0	-72.09	414.73	4.36	-67.73
COC1(CC(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])CCC1	REAL300012596887	0	54	0.0	-75.65	393.32	3.78	-71.87
COC1(CC(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])CCC1	REAL300012596887	1	54	0.0	-80.51	392.99	3.61	-76.90
CN1CC[N@H+](C)CC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012596888	0	51	0.0	-63.99	365.20	4.18	-59.81
CN1CC[N@@H+](C)CC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012596888	1	51	0.0	-63.62	372.62	4.62	-59.00
CN1CC[N@H+](C)CC1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012596889	0	53	0.0	-53.68	381.64	7.12	-46.56
CN1CC[N@@H+](C)CC1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012596889	1	53	0.0	-53.85	374.27	6.67	-47.18
C[C@H]1CC[C@@](NC(=O)NCC2C[N@H+](C)CCN2C)(C(=O)[O-])CC1	REAL300012596890	0	53	0.0	-82.77	373.37	5.62	-77.15
C[C@H]1CC[C@@](NC(=O)NCC2C[N@@H+](C)CCN2C)(C(=O)[O-])CC1	REAL300012596890	1	53	0.0	-84.30	365.75	5.03	-79.27
COC1=CC=CC(C(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])=C1	REAL300012596891	0	51	0.0	-76.49	388.03	4.02	-72.47
COC1=CC=CC(C(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])=C1	REAL300012596891	1	51	0.0	-80.66	387.58	3.97	-76.69
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012596892	0	47	0.0	-79.75	373.74	5.12	-74.63
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012596892	1	47	0.0	-73.44	381.06	5.67	-67.77
CN1CC[N@H+](C)CC1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012596893	0	46	0.0	-69.42	333.27	3.09	-66.33
CN1CC[N@@H+](C)CC1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012596893	1	46	0.0	-69.51	333.35	3.09	-66.42
CN1CC[N@H+](C)CC1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012596894	0	48	0.0	-66.28	356.34	5.26	-61.02
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012596894	1	48	0.0	-61.72	355.03	5.02	-56.70
CN1CC[N@H+](C)CC1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012596895	0	44	0.0	-78.34	342.40	4.65	-73.69
CN1CC[N@@H+](C)CC1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012596895	1	44	0.0	-72.76	342.47	4.78	-67.98
COC1=CC=CC([C@H](NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])=C1	REAL300012596896	0	51	0.0	-81.41	395.28	4.34	-77.07
COC1=CC=CC([C@H](NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])=C1	REAL300012596896	1	51	0.0	-75.65	395.09	4.41	-71.24
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2C[N@H+](C)CCN2C)C1	REAL300012596897	0	53	0.0	-86.59	387.08	6.32	-80.27
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2C[N@@H+](C)CCN2C)C1	REAL300012596897	1	53	0.0	-84.42	394.24	6.56	-77.86
COC1=CC=CC(CC(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])=C1	REAL300012596898	0	54	0.0	-77.09	410.26	4.95	-72.14
COC1=CC=CC(CC(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])=C1	REAL300012596898	1	54	0.0	-84.43	409.51	4.78	-79.65
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012596899	0	56	0.0	-79.06	386.83	5.95	-73.11
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012596899	1	56	0.0	-84.10	387.18	6.04	-78.06
CN1CC[N@H+](C)CC1CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012596900	0	53	0.0	-73.66	400.71	6.18	-67.48
CN1CC[N@@H+](C)CC1CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012596900	1	53	0.0	-77.94	400.86	6.30	-71.64
CN1CC[N@H+](C)CC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012596901	0	52	0.0	-79.63	394.76	6.12	-73.51
CN1CC[N@@H+](C)CC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012596901	1	52	0.0	-74.45	402.18	6.56	-67.89
COC1CN(C(=O)NCC2C[N@H+](C)CCN2C)C(C)(C(=O)[O-])C1	REAL300012596902	0	51	0.0	-78.43	371.73	4.01	-74.42
COC1CN(C(=O)NCC2C[N@@H+](C)CCN2C)C(C)(C(=O)[O-])C1	REAL300012596902	1	51	0.0	-85.54	379.16	4.45	-81.09
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012596903	0	54	0.0	-77.32	388.81	4.00	-73.32
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012596903	1	54	0.0	-72.16	393.78	3.47	-68.69
CN1CC[N@H+](C)CC1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012596904	0	49	0.0	-71.49	359.23	4.14	-67.35
CN1CC[N@@H+](C)CC1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012596904	1	49	0.0	-79.85	360.66	4.01	-75.84
C=C(Cl)CC(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596905	0	44	0.0	-78.82	351.82	3.63	-75.19
C=C(Cl)CC(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596905	1	44	0.0	-73.61	351.09	3.69	-69.92
CN1CC[N@H+](C)CC1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012596906	0	48	0.0	-89.07	340.48	5.91	-83.16
CN1CC[N@@H+](C)CC1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012596906	1	48	0.0	-89.74	351.16	6.39	-83.35
CN1CC[N@H+](C)CC1CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012596907	0	53	0.0	-74.30	390.39	5.73	-68.57
CN1CC[N@@H+](C)CC1CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012596907	1	53	0.0	-78.55	390.53	5.84	-72.71
CN1CC[N@H+](C)CC1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012596908	0	44	0.0	-72.27	341.75	5.10	-67.17
CN1CC[N@@H+](C)CC1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012596908	1	44	0.0	-76.73	341.73	5.10	-71.63
CN1CC[N@H+](C)CC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012596909	0	44	0.0	-77.38	335.06	4.90	-72.48
CN1CC[N@@H+](C)CC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012596909	1	44	0.0	-82.09	335.25	5.02	-77.07
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012596910	0	54	0.0	-80.06	394.00	3.39	-76.67
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012596910	1	54	0.0	-78.56	389.59	4.11	-74.45
CC(C)C[C@H](NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596911	0	49	0.0	-71.95	360.50	3.90	-68.05
CC(C)C[C@H](NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596911	1	49	0.0	-73.07	367.63	4.29	-68.78
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012596912	0	51	0.0	-77.76	369.66	2.59	-75.17
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012596912	1	51	0.0	-72.33	370.67	2.64	-69.69
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012596913	0	47	0.0	-78.78	358.68	4.65	-74.13
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012596913	1	47	0.0	-74.94	365.82	5.06	-69.88
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012596914	0	50	0.0	-77.73	397.42	5.64	-72.09
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012596914	1	50	0.0	-73.14	397.27	5.72	-67.42
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012596915	0	46	0.0	-76.04	367.52	2.76	-73.28
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012596915	1	46	0.0	-74.15	374.82	3.11	-71.04
CC(C)CCCC(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596916	0	55	0.0	-78.21	404.68	5.41	-72.80
CC(C)CCCC(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596916	1	55	0.0	-77.58	403.78	5.44	-72.14
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012596917	0	53	0.0	-83.62	410.38	5.93	-77.69
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012596917	1	53	0.0	-83.09	417.79	6.36	-76.73
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012596918	0	51	0.0	-78.57	378.41	2.91	-75.66
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012596918	1	51	0.0	-77.39	377.01	3.50	-73.89
CSCC(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596919	0	44	0.0	-74.99	346.31	2.91	-72.08
CSCC(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596919	1	44	0.0	-74.26	345.35	3.03	-71.23
CN1CC[N@H+](C)CC1CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012596920	0	50	0.0	-77.23	394.80	6.10	-71.13
CN1CC[N@@H+](C)CC1CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012596920	1	50	0.0	-77.94	387.45	5.66	-72.28
CCC(C)CC(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596921	0	52	0.0	-78.62	378.71	4.64	-73.98
CCC(C)CC(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596921	1	52	0.0	-78.43	378.25	4.57	-73.86
C=CCCCC(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596922	0	50	0.0	-73.69	378.01	4.63	-69.06
C=CCCCC(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596922	1	50	0.0	-78.12	378.42	4.68	-73.44
CN1CC[N@H+](C)CC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012596923	0	50	0.0	-71.05	393.91	6.11	-64.94
CN1CC[N@@H+](C)CC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012596923	1	50	0.0	-77.94	394.42	6.05	-71.89
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012596924	0	53	0.0	-82.31	398.53	6.83	-75.48
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012596924	1	53	0.0	-81.70	406.02	7.28	-74.42
CN1CC[N@H+](C)CC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012596925	0	45	0.0	-84.78	340.08	6.20	-78.58
CN1CC[N@@H+](C)CC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012596925	1	45	0.0	-85.31	332.57	5.73	-79.58
CN1CC[N@H+](C)CC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012596926	0	50	0.0	-75.29	366.42	5.44	-69.85
CN1CC[N@@H+](C)CC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012596926	1	50	0.0	-74.39	374.14	5.84	-68.55
CN1CC[N@H+](C)CC1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012596927	0	48	0.0	-89.24	350.32	6.32	-82.92
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012596927	1	48	0.0	-89.81	350.45	6.47	-83.34
CCN(C(=O)NCC1C[N@H+](C)CCN1C)C(C)(C)C(=O)[O-]	REAL300012596928	0	49	0.0	-77.47	354.07	5.64	-71.83
CCN(C(=O)NCC1C[N@@H+](C)CCN1C)C(C)(C)C(=O)[O-]	REAL300012596928	1	49	0.0	-76.31	347.12	5.36	-70.95
CCCN(C(=O)NCC1C[N@H+](C)CCN1C)C(C)C(=O)[O-]	REAL300012596929	0	49	0.0	-55.66	348.58	6.18	-49.48
CCCN(C(=O)NCC1C[N@@H+](C)CCN1C)C(C)C(=O)[O-]	REAL300012596929	1	49	0.0	-69.05	351.74	5.21	-63.84
CN1CC[N@H+](C)CC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012596930	0	43	0.0	-69.11	335.08	4.90	-64.21
CN1CC[N@@H+](C)CC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012596930	1	43	0.0	-71.80	341.91	5.30	-66.50
CN1CC[N@H+](C)CC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012596931	0	43	0.0	-69.11	335.08	4.90	-64.21
CN1CC[N@@H+](C)CC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012596931	1	43	0.0	-71.80	341.91	5.30	-66.50
CN1CC[N@H+](C)CC1CNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012596932	0	56	0.0	-65.42	408.82	2.88	-62.54
CN1CC[N@@H+](C)CC1CNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012596932	1	56	0.0	-65.36	407.72	2.70	-62.66
CN1CC[N@H+](C)CC1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012596933	0	45	0.0	-88.12	342.21	1.11	-87.01
CN1CC[N@@H+](C)CC1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012596933	1	45	0.0	-82.44	340.68	1.13	-81.31
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596935	0	51	0.0	-80.13	382.65	7.59	-72.54
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596935	1	51	0.0	-85.45	381.71	7.96	-77.49
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2C[N@H+](C)CCN2C)[C@H]1C(=O)[O-]	REAL300012596936	0	54	0.0	-66.75	392.97	8.04	-58.71
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2C[N@@H+](C)CCN2C)[C@H]1C(=O)[O-]	REAL300012596936	1	54	0.0	-61.96	392.24	7.94	-54.02
CN1CC[N@H+](C)CC1CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012596937	0	52	0.0	-76.62	378.27	5.81	-70.81
CN1CC[N@@H+](C)CC1CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012596937	1	52	0.0	-68.66	385.62	6.23	-62.43
CN1CC[N@H+](C)CC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012596938	0	47	0.0	-78.15	366.23	5.10	-73.05
CN1CC[N@@H+](C)CC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012596938	1	47	0.0	-74.97	365.80	5.06	-69.91
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012596939	0	50	0.0	-75.47	397.33	5.53	-69.94
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012596939	1	50	0.0	-74.54	404.51	6.06	-68.48
CN1CC[N@H+](C)CC1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012596940	0	52	0.0	-73.64	398.59	4.67	-68.97
CN1CC[N@@H+](C)CC1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012596940	1	52	0.0	-79.94	398.67	4.66	-75.28
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012596941	0	46	0.0	-76.66	367.65	2.46	-74.20
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012596941	1	46	0.0	-76.11	375.09	2.92	-73.19
CN1CC[N@H+](C)CC1CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012596942	0	47	0.0	-67.74	394.28	4.91	-62.83
CN1CC[N@@H+](C)CC1CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012596942	1	47	0.0	-68.04	386.27	4.42	-63.62
CN1CC[N@H+](C)CC1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012596943	1	47	0.0	-94.54	358.70	2.39	-92.15
CN1CC[N@@H+](C)CC1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012596943	1	47	0.0	-93.82	351.48	2.03	-91.79
CN1CC(C(=O)[O-])N(C(=O)NCC2C[N@@H+](C)CCN2C)CC1=O	REAL300012596944	0	48	0.0	-77.16	355.61	3.88	-73.28
CN1CC(C(=O)[O-])N(C(=O)NCC2C[N@H+](C)CCN2C)CC1=O	REAL300012596944	1	48	0.0	-76.96	357.39	4.36	-72.60
CN1CC[N@H+](C)CC1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012596945	0	47	0.0	-78.30	358.06	4.67	-73.63
CN1CC[N@@H+](C)CC1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012596945	1	47	0.0	-74.43	358.74	4.64	-69.79
CN1CC[N@H+](C)CC1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012596946	0	50	0.0	-76.55	368.08	3.99	-72.56
CN1CC[N@@H+](C)CC1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012596946	1	50	0.0	-79.44	379.78	4.36	-75.08
CN1CC[N@H+](C)CC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012596947	0	50	0.0	-53.21	364.24	6.40	-46.81
CN1CC[N@@H+](C)CC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012596947	1	50	0.0	-53.42	356.89	5.94	-47.48
CC[C@H](C)[C@H](NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596948	0	49	0.0	-78.25	359.46	3.84	-74.41
CC[C@H](C)[C@H](NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596948	1	49	0.0	-72.75	361.20	3.98	-68.77
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012596949	0	48	0.0	-83.09	354.00	0.47	-82.62
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012596949	1	48	0.0	-82.24	361.66	0.92	-81.32
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596950	0	56	0.0	-80.17	413.93	4.26	-75.91
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596950	1	56	0.0	-72.27	409.97	4.19	-68.08
CC1CCC(NC(=O)NCC2C[N@H+](C)CCN2C)(C(=O)[O-])C1	REAL300012596951	0	50	0.0	-81.89	366.15	4.68	-77.21
CC1CCC(NC(=O)NCC2C[N@@H+](C)CCN2C)(C(=O)[O-])C1	REAL300012596951	1	50	0.0	-83.58	357.73	4.14	-79.44
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012596952	0	53	0.0	-78.98	367.94	4.94	-74.04
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012596952	1	53	0.0	-77.17	366.59	4.92	-72.25
COCCC(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596953	0	47	0.0	-78.28	356.29	1.63	-76.65
COCCC(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596953	1	47	0.0	-73.62	355.87	1.58	-72.04
CN(C(=O)NCC1C[N@H+](C)CCN1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012596954	0	53	0.0	-72.69	398.83	7.98	-64.71
CN(C(=O)NCC1C[N@@H+](C)CCN1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012596954	1	53	0.0	-78.91	391.45	7.70	-71.21
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012596955	0	50	0.0	-78.86	359.85	4.99	-73.87
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012596955	1	50	0.0	-84.12	360.19	4.99	-79.13
CC1CCC(NC(=O)NCC2C[N@H+](C)CCN2C)(C(=O)[O-])C2=CC=CC=C21	REAL300012596956	0	57	0.0	-85.66	407.21	6.89	-78.77
CC1CCC(NC(=O)NCC2C[N@@H+](C)CCN2C)(C(=O)[O-])C2=CC=CC=C21	REAL300012596956	1	57	0.0	-84.60	407.08	6.97	-77.63
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596957	0	56	0.0	-79.66	405.64	3.91	-75.75
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596957	1	56	0.0	-73.30	406.36	3.85	-69.45
CN1CC[N@H+](C)CC1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012596958	0	45	0.0	-87.11	331.88	0.85	-86.26
CN1CC[N@@H+](C)CC1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012596958	1	45	0.0	-91.56	332.03	0.98	-90.58
CN1CC[N@H+](C)CC1CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012596959	0	55	0.0	-68.31	400.77	8.10	-60.21
CN1CC[N@@H+](C)CC1CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012596959	1	55	0.0	-68.77	400.34	8.11	-60.66
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012596960	0	48	0.0	-76.55	357.08	1.96	-74.59
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012596960	1	48	0.0	-76.25	349.50	1.60	-74.65
CN1CC[N@H+](C)CC1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012596961	0	48	0.0	-83.37	350.91	6.06	-77.31
CN1CC[N@@H+](C)CC1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012596961	1	48	0.0	-84.16	343.59	5.60	-78.56
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012596962	0	51	0.0	-84.34	390.52	4.59	-79.75
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012596962	1	51	0.0	-86.10	397.56	5.05	-81.05
CN1CC[N@H+](C)CC1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012596963	0	46	0.0	-82.44	343.25	3.79	-78.65
CN1CC[N@@H+](C)CC1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012596963	1	46	0.0	-82.96	343.18	3.80	-79.16
CC1CCC(C(=O)[O-])N(C(=O)NCC2C[N@H+](C)CCN2C)C1	REAL300012596964	0	50	0.0	-89.22	348.55	6.56	-82.66
CC1CCC(C(=O)[O-])N(C(=O)NCC2C[N@@H+](C)CCN2C)C1	REAL300012596964	1	50	0.0	-86.46	360.25	6.39	-80.07
CC(C1=CC=CC=C1)C(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596965	0	53	0.0	-72.70	396.23	5.92	-66.78
CC(C1=CC=CC=C1)C(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596965	1	53	0.0	-73.33	397.71	6.00	-67.33
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012596966	0	54	0.0	-78.74	395.23	5.71	-73.03
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012596966	1	54	0.0	-71.82	390.41	6.43	-65.39
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012596967	0	60	0.0	-81.55	423.44	5.87	-75.68
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012596967	1	60	0.0	-74.80	423.43	5.88	-68.92
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012596968	0	53	0.0	-79.83	381.19	5.03	-74.80
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012596968	1	53	0.0	-79.76	375.68	4.86	-74.90
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012596969	0	54	0.0	-71.40	394.53	4.37	-67.03
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012596969	1	54	0.0	-82.51	404.09	4.08	-78.43
CN1CC[N@H+](C)CC1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012596970	0	54	0.0	-57.71	375.85	6.75	-50.96
CN1CC[N@@H+](C)CC1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012596970	1	54	0.0	-56.81	368.17	6.17	-50.64
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012596971	0	54	0.0	-78.52	372.24	3.41	-75.11
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012596971	1	54	0.0	-75.88	379.56	3.96	-71.92
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012596972	0	53	0.0	-81.06	418.67	6.82	-74.24
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012596972	1	53	0.0	-82.85	419.14	7.47	-75.38
CC1=CC=CC2=C1CCN(C(=O)NCC1C[N@@H+](C)CCN1C)C2C(=O)[O-]	REAL300012596973	0	54	0.0	-68.18	389.76	7.51	-60.67
CC1=CC=CC2=C1CCN(C(=O)NCC1C[N@H+](C)CCN1C)C2C(=O)[O-]	REAL300012596973	1	54	0.0	-61.97	390.63	7.52	-54.45
CN1CC[N@H+](C)CC1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012596974	0	48	0.0	-52.04	345.10	5.35	-46.69
CN1CC[N@@H+](C)CC1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012596974	1	48	0.0	-60.95	344.34	5.50	-55.45
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012596975	0	54	0.0	-78.74	395.23	5.71	-73.03
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012596975	1	54	0.0	-71.82	390.41	6.43	-65.39
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012596976	0	50	0.0	-71.92	387.04	5.60	-66.32
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012596976	1	50	0.0	-76.01	387.40	5.65	-70.36
COC1CC(NC(=O)NCC2C[N@H+](C)CCN2C)(C(=O)[O-])C1	REAL300012596977	0	48	0.0	-79.60	364.58	2.70	-76.90
COC1CC(NC(=O)NCC2C[N@@H+](C)CCN2C)(C(=O)[O-])C1	REAL300012596977	1	48	0.0	-80.48	356.93	2.24	-78.24
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012596978	0	44	0.0	-80.51	339.56	3.76	-76.75
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012596978	1	44	0.0	-81.14	332.45	3.31	-77.83
CO[C@H]1C[C@](NC(=O)NCC2C[N@H+](C)CCN2C)(C(=O)[O-])C1	REAL300012596979	0	48	0.0	-78.59	355.48	2.15	-76.44
CO[C@H]1C[C@](NC(=O)NCC2C[N@@H+](C)CCN2C)(C(=O)[O-])C1	REAL300012596979	1	48	0.0	-79.94	363.30	2.98	-76.96
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012596980	0	47	0.0	-68.87	369.69	4.49	-64.38
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012596980	1	47	0.0	-69.16	363.02	3.85	-65.31
CCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596981	0	50	0.0	-88.28	361.88	6.64	-81.64
CCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596981	1	50	0.0	-85.82	361.55	6.55	-79.27
CN1CC[N@H+](C)CC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012596982	0	43	0.0	-66.92	338.24	3.36	-63.56
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012596982	1	43	0.0	-67.54	338.55	3.26	-64.28
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012596983	0	51	0.0	-73.19	377.47	2.67	-70.52
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012596983	1	51	0.0	-72.93	377.15	2.77	-70.16
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012596984	0	47	0.0	-73.86	373.04	4.46	-69.40
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012596984	1	47	0.0	-72.72	380.23	4.97	-67.75
COCC(NC(=O)NCC1C[N@H+](C)CCN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012596985	0	54	0.0	-75.72	407.01	4.98	-70.74
COCC(NC(=O)NCC1C[N@@H+](C)CCN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012596985	1	54	0.0	-79.74	399.40	4.50	-75.24
CC(C)C(C)(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596986	0	49	0.0	-73.68	343.49	3.63	-70.05
CC(C)C(C)(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596986	1	49	0.0	-80.42	343.32	3.51	-76.91
CN1CC[N@H+](C)CC1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012596987	0	48	0.0	-83.28	344.52	5.15	-78.13
CN1CC[N@@H+](C)CC1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012596987	1	48	0.0	-87.47	344.83	5.26	-82.21
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@H+](C)CCN1C	REAL300012596988	0	53	0.0	-47.60	396.73	8.71	-38.89
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012596988	1	53	0.0	-47.15	386.49	8.37	-38.78
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012596989	0	56	0.0	-74.47	402.53	5.74	-68.73
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012596989	1	56	0.0	-79.09	409.98	6.17	-72.92
CN1CC[N@H+](C)CC1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012596990	0	53	0.0	-78.63	403.10	6.37	-72.26
CN1CC[N@@H+](C)CC1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012596990	1	53	0.0	-72.81	403.20	6.39	-66.42
CN1CC[N@H+](C)CC1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012596991	0	53	0.0	-78.41	411.46	6.81	-71.60
CN1CC[N@@H+](C)CC1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012596991	1	53	0.0	-74.20	411.05	6.75	-67.45
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012596992	0	54	0.0	-74.23	381.60	4.99	-69.24
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012596992	1	54	0.0	-81.16	383.81	5.26	-75.90
CN1CC[N@H+](C)CC1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012596993	0	56	0.0	-72.40	402.50	5.85	-66.55
CN1CC[N@@H+](C)CC1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012596993	1	56	0.0	-79.13	402.63	5.75	-73.38
CN1CC[N@H+](C)CC1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012596994	0	56	0.0	-71.97	410.14	6.29	-65.68
CN1CC[N@@H+](C)CC1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012596994	1	56	0.0	-79.08	409.98	6.17	-72.91
CN1CC[N@H+](C)CC1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012596995	0	54	0.0	-61.06	384.06	6.39	-54.67
CN1CC[N@@H+](C)CC1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012596995	1	54	0.0	-60.72	383.24	6.43	-54.29
CN1CC[N@H+](C)CC1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012596996	0	54	0.0	-84.06	380.92	6.29	-77.77
CN1CC[N@@H+](C)CC1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012596996	1	54	0.0	-88.10	378.91	6.24	-81.86
COC1=CC=C(CC(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])C=C1	REAL300012596997	0	54	0.0	-74.34	417.74	5.40	-68.94
COC1=CC=C(CC(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])C=C1	REAL300012596997	1	54	0.0	-80.23	410.31	4.76	-75.47
C=CCSCC(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012596998	0	48	0.0	-71.67	380.18	4.33	-67.34
C=CCSCC(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012596998	1	48	0.0	-75.07	380.59	4.37	-70.70
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012596999	0	51	0.0	-74.87	401.46	5.93	-68.94
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012596999	1	51	0.0	-73.48	401.82	5.98	-67.50
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012597000	0	54	0.0	-89.08	420.26	5.52	-83.56
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012597000	1	54	0.0	-85.41	420.17	6.19	-79.22
CCC(C(=O)[O-])N(CC)C(=O)NCC1C[N@H+](C)CCN1C	REAL300012597001	0	49	0.0	-69.51	347.47	5.44	-64.07
CCC(C(=O)[O-])N(CC)C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012597001	1	49	0.0	-82.00	349.26	6.01	-75.99
COC1(C(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])CCC1	REAL300012597002	0	51	0.0	-81.33	377.78	2.80	-78.53
COC1(C(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])CCC1	REAL300012597002	1	51	0.0	-81.76	378.63	2.84	-78.92
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012597003	0	53	0.0	-73.15	391.49	6.04	-67.11
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012597003	1	53	0.0	-80.54	377.72	4.87	-75.67
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012597004	0	54	0.0	-79.67	389.91	6.59	-73.08
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012597004	1	54	0.0	-82.32	397.42	7.16	-75.16
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012597005	0	47	0.0	-79.25	355.69	4.08	-75.17
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012597005	1	47	0.0	-78.36	363.35	4.54	-73.82
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012597007	0	59	0.0	-73.41	434.69	7.06	-66.35
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012597007	1	59	0.0	-75.07	442.25	7.29	-67.78
CC(C)C1=CC=C(C(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])C=C1	REAL300012597008	0	56	0.0	-74.59	426.05	6.99	-67.60
CC(C)C1=CC=C(C(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])C=C1	REAL300012597008	1	56	0.0	-78.38	418.91	6.58	-71.80
CN1CC[N@H+](C)CC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012597009	0	44	0.0	-77.38	335.06	4.90	-72.48
CN1CC[N@@H+](C)CC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012597009	1	44	0.0	-82.09	335.25	5.02	-77.07
CN1CC[N@H+](C)CC1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012597010	0	46	0.0	-59.15	344.07	5.67	-53.48
CN1CC[N@@H+](C)CC1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012597010	1	46	0.0	-60.58	345.00	5.77	-54.81
CN1CC[N@H+](C)CC1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012597011	0	50	0.0	-86.47	363.03	5.70	-80.77
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012597011	1	50	0.0	-80.61	364.98	5.57	-75.04
CCOC1=CC=C(C(NC(=O)NCC2C[N@H+](C)CCN2C)C(=O)[O-])C=C1	REAL300012597012	0	54	0.0	-74.63	417.15	5.28	-69.35
CCOC1=CC=C(C(NC(=O)NCC2C[N@@H+](C)CCN2C)C(=O)[O-])C=C1	REAL300012597012	1	54	0.0	-75.25	409.73	4.83	-70.42
CN1CC[N@H+](C)CC1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012597013	0	54	0.0	-63.03	390.99	5.97	-57.06
CN1CC[N@@H+](C)CC1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012597013	1	54	0.0	-89.65	378.46	6.91	-82.74
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012597014	0	54	0.0	-81.45	401.22	6.33	-75.12
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012597014	1	54	0.0	-80.64	392.96	6.21	-74.43
CN1CC[N@H+](C)CC1CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012597015	0	54	0.0	-78.90	401.14	5.69	-73.21
CN1CC[N@@H+](C)CC1CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012597015	1	54	0.0	-84.48	401.19	5.69	-78.79
CN1CC[N@H+](C)CC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012597016	0	50	0.0	-68.41	395.87	6.30	-62.11
CN1CC[N@@H+](C)CC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012597016	1	50	0.0	-74.98	395.69	6.18	-68.80
CC(C)CCC(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012597017	0	52	0.0	-72.52	383.18	4.64	-67.88
CC(C)CCC(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012597017	1	52	0.0	-73.82	382.77	4.58	-69.24
CN1CC[N@H+](C)CC1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012597018	0	51	0.0	-51.39	378.13	6.34	-45.05
CN1CC[N@@H+](C)CC1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012597018	1	51	0.0	-61.00	368.31	5.96	-55.04
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012597019	0	51	0.0	-73.19	377.47	2.67	-70.52
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012597019	1	51	0.0	-72.93	377.15	2.77	-70.16
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@H+](C)CCN2C)C1	REAL300012597020	0	48	0.0	-78.66	365.73	5.45	-73.21
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@@H+](C)CCN2C)C1	REAL300012597020	1	48	0.0	-84.32	364.29	5.53	-78.79
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012597021	0	51	0.0	-78.14	357.92	5.44	-72.70
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012597021	1	51	0.0	-82.61	367.90	5.48	-77.13
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012597022	0	48	0.0	-76.99	346.25	4.33	-72.66
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012597022	1	48	0.0	-79.97	352.26	4.89	-75.08
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012597023	0	51	0.0	-81.55	373.82	5.35	-76.20
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012597023	1	51	0.0	-76.36	373.56	5.36	-71.00
CN(C(=O)NCC1C[N@H+](C)CCN1C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012597024	0	53	0.0	-72.69	398.83	7.98	-64.71
CN(C(=O)NCC1C[N@@H+](C)CCN1C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012597024	1	53	0.0	-77.70	397.31	7.95	-69.75
CN1CC[N@H+](C)CC1CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012597025	0	57	0.0	-51.19	407.15	7.33	-43.86
CN1CC[N@@H+](C)CC1CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012597025	1	57	0.0	-51.10	398.13	6.82	-44.28
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012597026	0	50	0.0	-79.63	363.93	4.24	-75.39
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012597026	1	50	0.0	-79.05	358.78	4.16	-74.89
CO[C@H](C)[C@H](NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012597027	0	47	0.0	-72.74	352.12	1.80	-70.94
CO[C@H](C)[C@H](NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012597027	1	47	0.0	-79.07	352.04	1.81	-77.26
CN1CC[N@H+](C)CC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012597028	0	50	0.0	-54.37	373.31	6.99	-47.38
CN1CC[N@@H+](C)CC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012597028	1	50	0.0	-54.92	379.56	7.39	-47.53
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012597029	0	57	0.0	-80.08	432.79	7.93	-72.15
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012597029	1	57	0.0	-75.74	440.23	8.38	-67.36
CN1CC[N@H+](C)CC1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012597030	0	50	0.0	-60.75	368.64	5.71	-55.04
CN1CC[N@@H+](C)CC1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012597030	1	50	0.0	-61.23	369.50	5.69	-55.54
CN1CC[N@H+](C)CC1CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012597031	0	51	0.0	-62.50	385.15	7.16	-55.34
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012597031	1	51	0.0	-58.11	385.21	6.97	-51.14
CN1CC[N@H+](C)CC1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012597032	0	47	0.0	-85.43	351.29	6.20	-79.23
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012597032	1	47	0.0	-84.85	343.04	5.48	-79.37
CN1CC[N@H+](C)CC1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012597033	0	44	0.0	-88.72	333.02	4.61	-84.11
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012597033	1	44	0.0	-87.91	340.49	5.06	-82.85
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012597034	0	50	0.0	-71.92	387.04	5.60	-66.32
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012597034	1	50	0.0	-76.01	387.40	5.65	-70.36
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012597035	0	47	0.0	-75.20	371.75	4.39	-70.81
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012597035	1	47	0.0	-72.74	371.62	4.56	-68.18
CN1CC[N@H+](C)CC1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012597036	0	47	0.0	-77.19	350.48	5.14	-72.05
CN1CC[N@@H+](C)CC1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012597036	1	47	0.0	-77.97	358.20	5.59	-72.38
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012597037	0	51	0.0	-82.30	393.14	5.77	-76.53
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012597037	1	51	0.0	-77.65	393.17	5.78	-71.87
CN1CC[N@H+](C)CC1CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012597038	0	55	0.0	-85.87	410.62	6.50	-79.37
CN1CC[N@@H+](C)CC1CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012597038	1	55	0.0	-78.88	408.77	6.81	-72.07
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012597039	0	47	0.0	-75.20	371.75	4.39	-70.81
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012597039	1	47	0.0	-72.74	371.62	4.56	-68.18
CN1CC[N@H+](C)CC1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012597040	0	51	0.0	-84.17	360.14	5.71	-78.46
CN1CC[N@@H+](C)CC1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012597040	1	51	0.0	-83.63	366.28	5.94	-77.69
COCCCC(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012597041	0	50	0.0	-77.02	377.78	2.41	-74.61
COCCCC(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012597041	1	50	0.0	-73.39	377.37	2.35	-71.04
CCCC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+](C)CCN1C	REAL300012597042	0	49	0.0	-74.14	362.86	5.82	-68.32
CCCC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](C)CCN1C	REAL300012597042	1	49	0.0	-68.99	355.50	5.48	-63.51
CCOCC(NC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300012597043	0	47	0.0	-79.92	356.34	1.78	-78.14
CCOCC(NC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300012597043	1	47	0.0	-79.83	356.26	1.80	-78.03
CN1CC[N@H+](C)CC1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012597044	0	52	0.0	-79.55	372.84	4.93	-74.62
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012597044	1	52	0.0	-79.05	373.25	4.98	-74.07
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012597045	0	51	0.0	-80.47	381.77	3.55	-76.92
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012597045	1	51	0.0	-81.81	380.37	3.04	-78.77
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012597046	0	47	0.0	-76.96	379.38	5.30	-71.66
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012597046	1	47	0.0	-72.74	379.83	5.34	-67.40
CN1CC[N@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012597047	0	51	0.0	-81.18	385.55	6.41	-74.77
CN1CC[N@@H+](C)CC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012597047	1	51	0.0	-81.83	378.25	5.90	-75.93
C[C@H]1OCCN(C(=O)NCC2C[N@H+](C)CCN2C)[C@@H]1C(=O)[O-]	REAL300012597048	0	48	0.0	-84.05	344.06	4.03	-80.02
C[C@H]1OCCN(C(=O)NCC2C[N@@H+](C)CCN2C)[C@@H]1C(=O)[O-]	REAL300012597048	1	48	0.0	-84.42	343.22	3.68	-80.74
CN1CC[N@H+](C)CC1CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012597049	0	50	0.0	-72.91	363.93	5.39	-67.52
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012597049	1	50	0.0	-59.78	363.43	5.35	-54.43
CN1CC[N@H+](C)CC1CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012597050	0	61	0.0	-83.96	415.08	6.68	-77.28
CN1CC[N@@H+](C)CC1CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012597050	1	61	0.0	-83.34	414.50	6.75	-76.59
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012597051	0	53	0.0	-82.74	405.33	5.83	-76.91
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012597051	1	53	0.0	-82.78	413.66	6.26	-76.52
CN1CC[N@H+](C)CC1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012597052	0	47	0.0	-65.25	361.14	5.54	-59.71
CN1CC[N@@H+](C)CC1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012597052	1	47	0.0	-64.45	361.21	5.53	-58.92
CN1CC[N@H+](C)CC1CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012597053	0	58	0.0	-59.79	408.47	5.07	-54.72
CN1CC[N@@H+](C)CC1CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012597053	1	58	0.0	-86.41	402.63	6.75	-79.66
CN1CC[N@H+](C)CC1CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012597054	0	49	0.0	-75.70	392.45	4.19	-71.51
CN1CC[N@@H+](C)CC1CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012597054	1	49	0.0	-79.87	392.82	4.25	-75.62
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@H+](C)CCN2C)C1	REAL300012597055	0	51	0.0	-82.55	376.26	4.33	-78.22
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@@H+](C)CCN2C)C1	REAL300012597055	1	51	0.0	-76.42	383.12	4.97	-71.45
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CC3=CC=CN=C32)CC1	REAL300012597752	0	58	0.0	-64.16	447.49	8.47	-55.69
CC(C)C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598123	0	58	0.0	-72.13	414.24	8.75	-63.38
C=CCOCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598124	0	57	0.0	-68.34	422.03	7.25	-61.09
C=CC(C)C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598125	0	56	0.0	-64.96	405.43	8.62	-56.34
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCOCC1	REAL300012598126	0	60	0.0	-72.64	425.43	7.51	-65.13
COC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C(C(=O)[O-])C1	REAL300012598127	0	60	0.0	-80.52	415.50	9.54	-70.98
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCCOC1	REAL300012598128	0	60	0.0	-66.07	419.42	7.35	-58.72
CC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C(C(=O)[O-])C1	REAL300012598129	0	59	0.0	-81.16	406.53	11.20	-69.96
CCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598130	0	55	0.0	-54.39	394.84	10.02	-44.37
CC(C(=O)[O-])N(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCC1	REAL300012598131	0	59	0.0	-58.36	406.78	10.31	-48.05
CCCN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(CC)C(=O)[O-]	REAL300012598132	0	61	0.0	-63.88	421.10	10.99	-52.89
CC(C)C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598133	0	55	0.0	-69.94	389.59	8.00	-61.94
O=C([O-])C1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598134	0	56	0.0	-80.99	385.60	10.57	-70.42
O=C([O-])C1CSCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598135	0	54	0.0	-78.22	385.52	10.57	-67.65
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCCCC1	REAL300012598136	0	59	0.0	-70.40	404.92	9.67	-60.73
O=C([O-])C1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598137	0	53	0.0	-78.38	374.22	9.37	-69.01
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCCC1	REAL300012598138	0	56	0.0	-70.41	390.47	8.56	-61.85
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCCCCC1	REAL300012598139	0	62	0.0	-71.43	410.57	10.34	-61.09
O=C([O-])CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598140	0	46	0.0	-58.73	332.79	5.60	-53.13
O=C([O-])[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1=CC=CC=C1	REAL300012598141	0	56	0.0	-67.28	411.40	9.59	-57.69
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1=CC=CC=C1	REAL300012598142	0	56	0.0	-69.07	411.69	9.51	-59.56
CCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598143	0	52	0.0	-66.37	375.17	7.52	-58.85
CC(C)C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598144	0	55	0.0	-69.94	389.59	8.00	-61.94
CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598145	0	49	0.0	-66.47	351.53	8.28	-58.19
CC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598146	0	49	0.0	-58.61	353.58	6.44	-52.17
CCC(C)C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598147	0	58	0.0	-72.35	410.40	8.67	-63.68
CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598148	0	49	0.0	-66.47	351.53	8.28	-58.19
O=C([O-])C1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598149	0	56	0.0	-80.99	385.60	10.57	-70.42
CCCC(C)(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598150	0	58	0.0	-66.46	401.05	8.59	-57.87
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598151	0	55	0.0	-55.52	383.42	9.54	-45.98
O=C([O-])CN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1	REAL300012598152	0	53	0.0	-56.19	376.72	9.78	-46.41
C=CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598153	0	53	0.0	-54.17	386.16	9.83	-44.34
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598154	0	58	0.0	-53.97	409.25	10.33	-43.64
CC(C)(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598155	0	52	0.0	-57.83	366.16	6.83	-51.00
CC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)(C(=O)[O-])C1CC1	REAL300012598156	0	56	0.0	-72.01	389.04	8.56	-63.45
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1=CC=CS1	REAL300012598157	0	53	0.0	-69.14	402.60	8.64	-60.50
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCCCC1	REAL300012598158	0	59	0.0	-70.40	404.92	9.67	-60.73
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598159	0	55	0.0	-55.52	383.42	9.54	-45.98
CCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598160	0	55	0.0	-54.39	394.84	10.02	-44.37
CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598161	0	52	0.0	-66.60	373.34	9.26	-57.34
CC[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598162	0	58	0.0	-72.52	406.78	8.41	-64.11
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCCC1	REAL300012598163	0	56	0.0	-70.41	390.47	8.56	-61.85
CCC(C)(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598164	0	55	0.0	-66.26	379.55	7.83	-58.43
C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598165	0	49	0.0	-60.24	353.64	6.42	-53.82
CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598166	0	52	0.0	-66.60	373.34	9.26	-57.34
C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598167	0	49	0.0	-59.35	353.70	6.42	-52.93
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	REAL300012598168	0	50	0.0	-73.55	359.73	7.66	-65.89
O=C([O-])C1COCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598169	0	54	0.0	-76.33	376.54	7.96	-68.37
CN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1(C(=O)[O-])CCCCC1	REAL300012598170	0	62	0.0	-72.27	413.94	11.05	-61.22
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1	REAL300012598171	0	53	0.0	-66.90	379.70	7.92	-58.98
COCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598172	0	56	0.0	-54.71	404.72	8.45	-46.26
O=C([O-])[C@H]1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598173	0	53	0.0	-75.04	375.07	9.05	-65.99
O=C([O-])[C@H]1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598174	0	56	0.0	-78.23	384.95	10.35	-67.88
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598175	0	52	0.0	-64.88	365.50	8.35	-56.53
O=C([O-])[C@@H]1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598176	0	53	0.0	-78.57	374.30	9.36	-69.21
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCC1	REAL300012598177	0	53	0.0	-72.86	376.58	8.18	-64.68
C=CCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598178	0	53	0.0	-66.59	388.69	7.91	-58.68
CC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598179	0	56	0.0	-78.82	391.44	9.91	-68.91
O=C([O-])C1CCCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598180	0	59	0.0	-75.40	400.52	11.26	-64.14
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1	REAL300012598181	0	53	0.0	-66.90	379.70	7.92	-58.98
CC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598182	0	52	0.0	-63.12	366.44	8.52	-54.60
CCCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598183	0	58	0.0	-66.79	418.41	9.00	-57.79
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598184	0	56	0.0	-78.77	391.35	9.91	-68.86
O=C([O-])CN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCCC1	REAL300012598185	0	59	0.0	-47.24	410.77	10.91	-36.33
COCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598186	0	53	0.0	-67.77	387.27	5.70	-62.07
CCCCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598187	0	61	0.0	-66.79	439.91	9.78	-57.01
O=C([O-])CN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCOCC1	REAL300012598188	0	60	0.0	-54.30	418.12	9.17	-45.13
CN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1(C(=O)[O-])CCCC1	REAL300012598189	0	59	0.0	-78.79	400.85	10.29	-68.50
CC(C(=O)[O-])N(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1	REAL300012598190	0	56	0.0	-54.96	391.32	9.89	-45.07
CCC(C(=O)[O-])N(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1	REAL300012598191	0	59	0.0	-53.98	413.08	10.98	-43.00
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CCOCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598194	0	59	0.0	-64.41	417.80	8.76	-55.65
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598195	0	58	0.0	-53.97	409.25	10.33	-43.64
O=C([O-])CN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1	REAL300012598196	0	53	0.0	-56.19	376.72	9.78	-46.41
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CC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598202	0	52	0.0	-63.12	366.44	8.52	-54.60
CCC(CC)(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598203	0	58	0.0	-72.60	396.22	8.72	-63.88
CCC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598204	0	58	0.0	-52.22	406.26	10.83	-41.39
CCC(COC)(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598205	0	59	0.0	-77.40	414.47	8.02	-69.38
O=C([O-])C(CC1CC1)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598206	0	56	0.0	-71.16	407.02	9.01	-62.15
COCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598207	0	56	0.0	-66.49	408.84	6.58	-59.91
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598208	0	61	0.0	-63.54	424.75	10.94	-52.60
O=C([O-])C(CC(F)F)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598209	0	52	0.0	-61.26	385.79	8.04	-53.22
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598210	0	62	0.0	-82.32	428.70	11.97	-70.35
CCCN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(C)C(=O)[O-]	REAL300012598211	0	58	0.0	-63.49	405.01	10.08	-53.41
O=C([O-])C(CCF)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598212	0	52	0.0	-65.95	382.01	7.59	-58.36
O=C([O-])CN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCOCC1	REAL300012598213	0	60	0.0	-54.30	418.12	9.17	-45.13
O=C([O-])CN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCCCC1	REAL300012598214	0	62	0.0	-47.32	427.19	11.54	-35.78
C[C@H]1CC[C@@](NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)(C(=O)[O-])CC1	REAL300012598215	0	62	0.0	-76.65	418.85	10.03	-66.62
CC(CCF)(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598216	0	55	0.0	-63.55	386.14	7.97	-55.58
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598217	0	53	0.0	-68.73	388.03	9.20	-59.53
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598218	0	52	0.0	-66.99	366.06	8.42	-58.57
O=C([O-])C12CC(C1)CN2C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598219	0	54	0.0	-82.44	381.80	10.03	-72.41
COC1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C(C)(C(=O)[O-])C1	REAL300012598220	0	60	0.0	-78.97	424.49	8.88	-70.09
CC(C)(C)[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598221	0	58	0.0	-71.75	404.70	8.56	-63.19
C=C(Cl)CC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598222	0	53	0.0	-62.57	403.89	8.57	-54.00
C=C(C)CC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598223	0	56	0.0	-67.68	406.98	8.75	-58.93
O=C([O-])C12CCC(CC1)N2C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598224	0	57	0.0	-85.48	395.87	11.15	-74.33
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598225	0	53	0.0	-72.36	388.00	9.23	-63.13
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598226	0	53	0.0	-76.66	380.76	9.44	-67.22
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300012598227	0	54	0.0	-78.97	388.47	9.44	-69.53
CC(C)C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598228	0	58	0.0	-72.13	414.24	8.75	-63.38
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCOCC1	REAL300012598229	0	60	0.0	-72.64	425.43	7.51	-65.13
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1=CC=CC=C1	REAL300012598230	0	56	0.0	-69.07	411.69	9.51	-59.56
O=C([O-])C(CC1CC1)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598231	0	56	0.0	-71.16	407.02	9.01	-62.15
CC(C)CCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598232	0	64	0.0	-66.22	457.23	10.36	-55.86
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CSCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598234	0	53	0.0	-64.38	399.11	7.80	-56.58
COC[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598235	0	53	0.0	-71.97	386.84	5.67	-66.30
CC[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598236	0	52	0.0	-71.33	375.47	7.44	-63.89
CCC(C)CC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598237	0	61	0.0	-66.50	432.10	9.48	-57.02
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CCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598241	0	55	0.0	-66.88	396.91	8.22	-58.66
CC(C)[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598242	0	55	0.0	-68.38	392.58	8.03	-60.35
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598243	0	57	0.0	-83.95	395.67	10.88	-73.07
CCN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(C)(C)C(=O)[O-]	REAL300012598244	0	58	0.0	-70.15	399.26	10.29	-59.86
CCCN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(C)C(=O)[O-]	REAL300012598245	0	58	0.0	-63.49	405.01	10.08	-53.41
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598246	0	52	0.0	-62.77	387.95	9.77	-53.00
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598247	0	52	0.0	-62.77	387.95	9.77	-53.00
CN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(C)(C)C(=O)[O-]	REAL300012598248	0	55	0.0	-69.91	380.77	9.32	-60.59
O=C([O-])[C@@H]1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598249	0	53	0.0	-78.57	374.30	9.36	-69.21
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598250	0	54	0.0	-78.06	387.69	5.55	-72.51
CCC[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598251	0	55	0.0	-66.26	396.67	8.28	-57.98
O=C([O-])[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1=CC=CC=C1	REAL300012598252	0	56	0.0	-67.28	411.40	9.59	-57.69
C=CCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598253	0	56	0.0	-66.09	409.48	8.85	-57.24
CN1CC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1=O	REAL300012598254	0	57	0.0	-70.64	402.46	8.73	-61.91
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598255	0	56	0.0	-73.79	391.29	9.92	-63.87
CC(C)[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598256	0	55	0.0	-70.83	386.65	7.75	-63.08
O=C([O-])[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1=CC=CC=C1	REAL300012598257	0	56	0.0	-70.74	410.94	9.56	-61.18
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598258	0	52	0.0	-66.99	366.06	8.42	-58.57
CCC[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598259	0	55	0.0	-71.23	396.97	8.20	-63.03
CCN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(C)C(=O)[O-]	REAL300012598260	0	55	0.0	-63.53	383.12	9.30	-54.23
O=C([O-])CN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCCC1	REAL300012598261	0	59	0.0	-47.24	410.77	10.91	-36.33
CC(CN(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598262	0	55	0.0	-72.71	386.64	8.95	-63.76
CC[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598263	0	58	0.0	-72.52	406.78	8.41	-64.11
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598264	0	55	0.0	-68.47	385.89	9.43	-59.04
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC(CO)C1	REAL300012598265	0	57	0.0	-77.67	407.12	5.35	-72.32
CC1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)(C(=O)[O-])C1	REAL300012598266	0	59	0.0	-70.69	410.65	9.19	-61.50
CC1(C)CCCC1(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598267	0	62	0.0	-72.60	419.47	9.80	-62.80
COCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598268	0	56	0.0	-66.49	408.84	6.58	-59.91
CC1(C)CC(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)(C(=O)[O-])C1	REAL300012598269	0	59	0.0	-73.57	413.01	9.88	-63.69
CC1(C(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C(=O)[O-])CC1	REAL300012598270	0	56	0.0	-72.27	404.27	8.54	-63.73
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598271	0	54	0.0	-80.16	384.97	5.86	-74.30
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCOC1	REAL300012598272	0	57	0.0	-70.32	407.75	6.49	-63.83
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598273	0	57	0.0	-82.72	396.59	10.50	-72.22
O=C([O-])C12COC(CN1C(=O)NCC1([NH+]3CCSCC3)CCCCC1)C2	REAL300012598274	0	55	0.0	-78.39	388.82	8.15	-70.24
CC1CCC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300012598275	0	59	0.0	-81.73	401.87	11.45	-70.28
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCC1	REAL300012598276	0	56	0.0	-72.62	402.29	8.50	-64.12
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CC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1C(=O)[O-]	REAL300012598279	0	56	0.0	-79.39	394.80	9.96	-69.43
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CCC(C(=O)[O-])N(CC)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598292	0	58	0.0	-64.12	400.13	10.26	-53.86
COC1(C(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C(=O)[O-])CCC1	REAL300012598293	0	60	0.0	-67.30	422.45	7.09	-60.21
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CC1(C)CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1C(=O)[O-]	REAL300012598297	0	59	0.0	-76.69	408.26	10.13	-66.56
CC(C)CCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598298	0	61	0.0	-66.33	435.73	9.58	-56.75
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598299	0	60	0.0	-48.74	421.98	10.80	-37.94
O=C([O-])C(CC1CCOC1)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598300	0	60	0.0	-73.50	429.29	7.52	-65.98
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCCC2CC21	REAL300012598301	0	60	0.0	-78.48	410.79	10.32	-68.16
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCC2CC21	REAL300012598302	0	57	0.0	-78.10	397.95	9.41	-68.69
O=C([O-])C1(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC2(CCC2)C1	REAL300012598303	0	60	0.0	-71.77	419.31	9.77	-62.00
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCCC1	REAL300012598304	0	59	0.0	-67.97	411.62	8.98	-58.99
CO[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598305	0	56	0.0	-72.61	405.53	6.68	-65.93
CC1[C@@H](C)[C@@]1(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598306	0	56	0.0	-71.17	389.81	8.74	-62.43
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300012598307	0	59	0.0	-38.41	413.36	10.13	-28.28
O=C([O-])C1N(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCC1(F)F	REAL300012598308	0	53	0.0	-82.92	385.88	9.51	-73.41
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598309	0	60	0.0	-76.04	413.19	10.70	-65.34
COCCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598310	0	59	0.0	-66.38	430.59	7.29	-59.09
CCCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598311	0	58	0.0	-63.72	407.88	10.26	-53.46
CCOCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598312	0	56	0.0	-68.04	409.13	6.68	-61.36
CC(C)(C)CC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598313	0	61	0.0	-71.75	425.44	9.87	-61.88
O=C([O-])C(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCCCO1	REAL300012598314	0	60	0.0	-73.51	424.27	7.60	-65.91
C[C@H]1OCCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)[C@@H]1C(=O)[O-]	REAL300012598315	0	57	0.0	-78.60	396.80	8.95	-69.65
N#CCCC(NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300012598316	0	53	0.0	-68.69	396.27	7.95	-60.74
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598317	0	56	0.0	-54.71	414.01	10.41	-44.30
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300012598318	0	52	0.0	-64.88	365.50	8.35	-56.53
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300012598319	0	60	0.0	-75.37	428.65	9.39	-65.98
CC(C)C[C@H](NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598320	0	56	0.0	-71.84	414.24	5.60	-66.24
CC(C)C[C@H](NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598320	1	56	0.0	-71.41	413.23	5.59	-65.82
CC(C)C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598320	1	56	0.0	-79.92	413.42	5.51	-74.41
C=CCOCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598321	0	55	0.0	-73.54	421.84	4.10	-69.44
C=CCOCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598321	1	55	0.0	-74.06	422.01	4.07	-69.99
C=CCOCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598321	1	55	0.0	-80.27	415.02	3.80	-76.47
C=CC(C)C(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598322	0	54	0.0	-70.87	407.13	5.41	-65.46
C=CC(C)C(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598322	1	54	0.0	-72.47	400.19	5.19	-67.28
C=CC(C)C(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598322	1	54	0.0	-78.87	394.12	4.84	-74.03
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCOCC3)C2)CC1	REAL300012598323	0	58	0.0	-73.30	425.37	4.32	-68.98
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCOCC3)C2)CC1	REAL300012598323	1	58	0.0	-71.19	422.48	4.28	-66.91
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCOCC3)C2)CC1	REAL300012598323	1	58	0.0	-73.11	418.56	4.00	-69.11
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)C2)CC1	REAL300012598324	0	54	0.0	-67.18	423.60	6.50	-60.68
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)C2)CC1	REAL300012598324	1	54	0.0	-69.68	424.01	6.55	-63.13
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)C2)CC1	REAL300012598324	1	54	0.0	-75.43	424.83	6.39	-69.04
COC1CCN(C(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C(C(=O)[O-])C1	REAL300012598325	0	58	0.0	-81.48	417.75	6.32	-75.16
COC1CCN(C(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C(C(=O)[O-])C1	REAL300012598325	1	58	0.0	-81.48	417.21	6.20	-75.28
COC1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C(C(=O)[O-])C1	REAL300012598325	1	58	0.0	-91.18	417.37	6.14	-85.04
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCOC3)C2)CC1	REAL300012598326	0	58	0.0	-70.79	420.61	4.08	-66.71
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCOC3)C2)CC1	REAL300012598326	1	58	0.0	-71.24	419.86	4.09	-67.15
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCCOC3)C2)CC1	REAL300012598326	1	58	0.0	-77.68	422.58	4.28	-73.40
CC1CCN(C(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C(C(=O)[O-])C1	REAL300012598327	0	57	0.0	-79.75	406.00	7.83	-71.92
CC1CCN(C(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C(C(=O)[O-])C1	REAL300012598327	1	57	0.0	-78.83	406.28	7.72	-71.11
CC1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C(C(=O)[O-])C1	REAL300012598327	1	57	0.0	-90.32	405.91	7.73	-82.59
CC1=CC(C(NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)[O-])=CC=C1F	REAL300012598328	0	57	0.0	-69.25	438.22	7.11	-62.14
CC1=CC(C(NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C(=O)[O-])=CC=C1F	REAL300012598328	1	57	0.0	-69.43	437.64	7.08	-62.35
CC1=CC(C(NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C(=O)[O-])=CC=C1F	REAL300012598328	1	57	0.0	-78.01	438.87	6.97	-71.04
CC1=CC(C)=CC(C(NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)[O-])=C1	REAL300012598329	0	60	0.0	-72.83	454.34	7.74	-65.09
CC1=CC(C)=CC(C(NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C(=O)[O-])=C1	REAL300012598329	1	60	0.0	-73.33	454.16	7.75	-65.58
CC1=CC(C)=CC(C(NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C(=O)[O-])=C1	REAL300012598329	1	60	0.0	-81.62	454.75	7.68	-73.94
CC1=CC=C(C(NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)[O-])C=C1C	REAL300012598330	0	60	0.0	-72.88	449.94	7.62	-65.26
CC1=CC=C(C(NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C(=O)[O-])C=C1C	REAL300012598330	1	60	0.0	-73.69	449.97	7.55	-66.14
CC1=CC=C(C(NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C(=O)[O-])C=C1C	REAL300012598330	1	60	0.0	-82.49	449.94	7.51	-74.98
CC1=CC=CC(C(NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)[O-])=C1C	REAL300012598331	0	60	0.0	-73.08	444.16	7.44	-65.64
CC1=CC=CC(C(NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C(=O)[O-])=C1C	REAL300012598331	1	60	0.0	-67.11	444.49	7.58	-59.53
CC1=CC=CC(C(NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C(=O)[O-])=C1C	REAL300012598331	1	60	0.0	-80.81	442.83	7.40	-73.41
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598332	0	53	0.0	-56.50	395.01	6.83	-49.67
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598332	1	53	0.0	-56.36	393.89	6.69	-49.67
CCCN(CC(=O)[O-])C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598332	1	53	0.0	-61.54	387.97	6.53	-55.01
CC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C1CCC1	REAL300012598333	0	57	0.0	-59.27	407.78	7.24	-52.03
CC(C(=O)[O-])N(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C1CCC1	REAL300012598333	1	57	0.0	-46.02	402.49	8.12	-37.90
CC(C(=O)[O-])N(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C1CCC1	REAL300012598333	1	57	0.0	-61.26	401.89	8.03	-53.23
CCCN(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(COC)C(=O)[O-]	REAL300012598334	0	60	0.0	-72.64	437.23	7.71	-64.93
CCCN(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(COC)C(=O)[O-]	REAL300012598334	1	60	0.0	-74.76	436.63	7.76	-67.00
CCCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(COC)C(=O)[O-]	REAL300012598334	1	60	0.0	-80.86	429.89	7.52	-73.34
CCCN(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(CC)C(=O)[O-]	REAL300012598335	0	59	0.0	-70.11	422.17	7.86	-62.25
CCCN(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(CC)C(=O)[O-]	REAL300012598335	1	59	0.0	-70.51	421.86	7.85	-62.66
CCCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(CC)C(=O)[O-]	REAL300012598335	1	59	0.0	-58.77	411.80	8.21	-50.56
CC(C)C(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598336	0	53	0.0	-71.96	392.62	4.84	-67.12
CC(C)C(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598336	1	53	0.0	-72.50	392.43	4.86	-67.64
CC(C)C(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598336	1	53	0.0	-77.04	383.66	4.57	-72.47
CN1CCC([N@@H+]2CCC(NC(=O)N3CCCCC3C(=O)[O-])C2)CC1	REAL300012598337	0	54	0.0	-79.47	385.30	7.18	-72.29
CN1CCC([N@H+]2CCC(NC(=O)N3CCCCC3C(=O)[O-])C2)CC1	REAL300012598337	1	54	0.0	-81.30	385.63	7.41	-73.89
C[NH+]1CCC(N2CCC(NC(=O)N3CCCCC3C(=O)[O-])C2)CC1	REAL300012598337	1	54	0.0	-90.45	385.70	7.15	-83.30
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)C2)CC1	REAL300012598338	0	54	0.0	-69.51	428.27	6.86	-62.65
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)C2)CC1	REAL300012598338	1	54	0.0	-69.30	428.06	6.95	-62.35
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)C2)CC1	REAL300012598338	1	54	0.0	-77.06	428.00	6.92	-70.14
CN1CCC([N@@H+]2CCC(NC(=O)N3CCSCC3C(=O)[O-])C2)CC1	REAL300012598339	0	52	0.0	-77.96	385.33	7.18	-70.78
CN1CCC([N@H+]2CCC(NC(=O)N3CCSCC3C(=O)[O-])C2)CC1	REAL300012598339	1	52	0.0	-80.47	385.59	7.41	-73.06
C[NH+]1CCC(N2CCC(NC(=O)N3CCSCC3C(=O)[O-])C2)CC1	REAL300012598339	1	52	0.0	-87.51	385.21	7.21	-80.30
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCCC3)C2)CC1	REAL300012598340	0	57	0.0	-74.50	405.10	6.47	-68.03
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCCC3)C2)CC1	REAL300012598340	1	57	0.0	-74.87	404.88	6.48	-68.39
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCCC3)C2)CC1	REAL300012598340	1	57	0.0	-84.94	404.26	6.38	-78.56
CN1CCC([N@@H+]2CCC(NC(=O)N3CCCC3C(=O)[O-])C2)CC1	REAL300012598341	0	51	0.0	-79.00	374.96	5.66	-73.34
CN1CCC([N@H+]2CCC(NC(=O)N3CCCC3C(=O)[O-])C2)CC1	REAL300012598341	1	51	0.0	-78.04	375.04	5.76	-72.28
C[NH+]1CCC(N2CCC(NC(=O)N3CCCC3C(=O)[O-])C2)CC1	REAL300012598341	1	51	0.0	-87.27	376.95	5.70	-81.57
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC3)C2)CC1	REAL300012598342	0	54	0.0	-74.68	390.56	5.40	-69.28
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC3)C2)CC1	REAL300012598342	1	54	0.0	-74.37	389.47	5.24	-69.13
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCC3)C2)CC1	REAL300012598342	1	54	0.0	-84.12	390.46	5.31	-78.81
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCCCC3)C2)CC1	REAL300012598343	0	60	0.0	-75.41	410.77	7.15	-68.26
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCCCC3)C2)CC1	REAL300012598343	1	60	0.0	-76.12	410.51	7.14	-68.98
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCCCC3)C2)CC1	REAL300012598343	1	60	0.0	-84.40	411.15	7.07	-77.33
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C2)CC1	REAL300012598344	0	57	0.0	-73.86	433.74	7.29	-66.57
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C2)CC1	REAL300012598344	1	57	0.0	-73.63	433.76	7.29	-66.34
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C2)CC1	REAL300012598344	1	57	0.0	-81.09	433.05	7.20	-73.89
CN1CCC([N@@H+]2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C2)CC1	REAL300012598345	0	57	0.0	-56.28	432.50	9.08	-47.20
CN1CCC([N@H+]2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C2)CC1	REAL300012598345	1	57	0.0	-56.06	432.33	9.08	-46.98
C[NH+]1CCC(N2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C2)CC1	REAL300012598345	1	57	0.0	-67.69	432.92	9.02	-58.67
CN1CCC([N@@H+]2CCC(NC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598346	0	54	0.0	-72.53	411.73	6.34	-66.19
CN1CCC([N@H+]2CCC(NC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598346	1	54	0.0	-72.59	411.86	6.42	-66.17
C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598346	1	54	0.0	-81.02	411.46	6.41	-74.61
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598347	0	54	0.0	-72.32	410.89	6.37	-65.95
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598347	1	54	0.0	-72.90	411.52	6.34	-66.56
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598347	1	54	0.0	-79.69	411.23	6.40	-73.29
CCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598348	0	50	0.0	-71.00	375.34	4.33	-66.67
CCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598348	1	50	0.0	-71.18	374.57	4.29	-66.89
CCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598348	1	50	0.0	-72.26	368.54	3.96	-68.30
CC(C)C(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598349	0	53	0.0	-71.96	392.62	4.84	-67.12
CC(C)C(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598349	1	53	0.0	-72.50	392.43	4.86	-67.64
CC(C)C(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598349	1	53	0.0	-77.04	383.66	4.57	-72.47
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C2)CC1	REAL300012598350	0	57	0.0	-73.86	433.74	7.29	-66.57
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C2)CC1	REAL300012598350	1	57	0.0	-73.63	433.76	7.29	-66.34
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C2)CC1	REAL300012598350	1	57	0.0	-81.09	433.05	7.20	-73.89
CCC(C)C(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598351	0	56	0.0	-71.46	408.48	5.50	-65.96
CCC(C)C(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598351	1	56	0.0	-72.78	406.63	5.24	-67.54
CCC(C)C(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598351	1	56	0.0	-73.14	399.78	4.92	-68.22
CN1CCC([N@@H+]2CCC(NC(=O)N3CCCCC3C(=O)[O-])C2)CC1	REAL300012598352	0	54	0.0	-79.47	385.30	7.18	-72.29
CN1CCC([N@H+]2CCC(NC(=O)N3CCCCC3C(=O)[O-])C2)CC1	REAL300012598352	1	54	0.0	-81.30	385.63	7.41	-73.89
C[NH+]1CCC(N2CCC(NC(=O)N3CCCCC3C(=O)[O-])C2)CC1	REAL300012598352	1	54	0.0	-90.45	385.70	7.15	-83.30
CCCC(C)(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598353	0	56	0.0	-70.47	401.52	5.35	-65.12
CCCC(C)(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598353	1	56	0.0	-71.23	401.03	5.39	-65.84
CCCC(C)(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598353	1	56	0.0	-72.15	394.18	5.08	-67.07
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598354	0	53	0.0	-71.64	382.92	6.34	-65.30
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598354	1	53	0.0	-71.44	383.75	6.37	-65.07
CC(C)N(CC(=O)[O-])C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598354	1	53	0.0	-62.28	376.53	6.06	-56.22
CN1CCC([N@@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CC3)C2)CC1	REAL300012598355	0	51	0.0	-55.11	377.01	6.50	-48.61
CN1CCC([N@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CC3)C2)CC1	REAL300012598355	1	51	0.0	-74.58	378.41	6.46	-68.12
C[NH+]1CCC(N2CCC(NC(=O)N(CC(=O)[O-])C3CC3)C2)CC1	REAL300012598355	1	51	0.0	-67.40	375.88	6.52	-60.88
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598356	0	51	0.0	-56.31	386.32	6.63	-49.68
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598356	1	51	0.0	-55.70	381.15	6.42	-49.28
C=CCN(CC(=O)[O-])C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598356	1	51	0.0	-61.37	379.28	6.32	-55.05
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598357	0	56	0.0	-54.19	403.03	6.90	-47.29
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598357	1	56	0.0	-55.54	409.21	7.14	-48.40
CC(C)CN(CC(=O)[O-])C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598357	1	56	0.0	-60.91	402.38	6.83	-54.08
CN1CCC([N@@H+]2CCC(NC(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C2)CC1	REAL300012598358	0	58	0.0	-82.43	423.79	9.42	-73.01
CN1CCC([N@H+]2CCC(NC(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C2)CC1	REAL300012598358	1	58	0.0	-82.64	423.87	9.62	-73.02
C[NH+]1CCC(N2CCC(NC(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C2)CC1	REAL300012598358	1	58	0.0	-91.64	424.22	9.40	-82.24
CN1CCC([N@@H+]2CCC(NC(=O)NC(C)(C)C(=O)[O-])C2)CC1	REAL300012598359	0	50	0.0	-62.04	365.99	3.64	-58.40
CN1CCC([N@H+]2CCC(NC(=O)NC(C)(C)C(=O)[O-])C2)CC1	REAL300012598359	1	50	0.0	-62.08	366.14	3.66	-58.42
C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)C(=O)[O-])C2)CC1	REAL300012598359	1	50	0.0	-64.65	359.29	3.34	-61.31
CN1CCC([N@@H+]2CCC(NC(=O)NC(C)(C(=O)[O-])C3CC3)C2)CC1	REAL300012598360	0	54	0.0	-71.36	389.15	5.39	-65.97
CN1CCC([N@H+]2CCC(NC(=O)NC(C)(C(=O)[O-])C3CC3)C2)CC1	REAL300012598360	1	54	0.0	-72.86	389.00	5.39	-67.47
C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C(=O)[O-])C3CC3)C2)CC1	REAL300012598360	1	54	0.0	-82.31	389.15	5.36	-76.95
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CS3)C2)CC1	REAL300012598361	0	51	0.0	-70.31	403.11	5.50	-64.81
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CS3)C2)CC1	REAL300012598361	1	51	0.0	-71.13	403.17	5.44	-65.69
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CS3)C2)CC1	REAL300012598361	1	51	0.0	-78.65	403.54	5.44	-73.21
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCCC3)C2)CC1	REAL300012598362	0	57	0.0	-74.50	405.10	6.47	-68.03
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCCC3)C2)CC1	REAL300012598362	1	57	0.0	-74.87	404.88	6.48	-68.39
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCCC3)C2)CC1	REAL300012598362	1	57	0.0	-84.94	404.26	6.38	-78.56
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598363	0	53	0.0	-71.64	382.92	6.34	-65.30
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598363	1	53	0.0	-71.44	383.75	6.37	-65.07
CC(C)N(CC(=O)[O-])C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598363	1	53	0.0	-62.28	376.53	6.06	-56.22
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598364	0	53	0.0	-56.50	395.01	6.83	-49.67
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598364	1	53	0.0	-56.36	393.89	6.69	-49.67
CCCN(CC(=O)[O-])C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598364	1	53	0.0	-61.54	387.97	6.53	-55.01
CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598365	0	50	0.0	-71.19	373.52	6.07	-65.12
CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598365	1	50	0.0	-71.74	373.32	6.08	-65.66
CCN(CC(=O)[O-])C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598365	1	50	0.0	-76.98	366.47	5.76	-71.22
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598366	0	56	0.0	-73.05	406.60	5.23	-67.82
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598366	1	56	0.0	-72.74	406.59	5.24	-67.50
CC[C@H](C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598366	1	56	0.0	-79.57	406.76	5.21	-74.36
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC3)C2)CC1	REAL300012598367	0	54	0.0	-74.68	390.56	5.40	-69.28
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC3)C2)CC1	REAL300012598367	1	54	0.0	-74.37	389.47	5.24	-69.13
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCC3)C2)CC1	REAL300012598367	1	54	0.0	-84.12	390.46	5.31	-78.81
CN1CCC([N@@H+]2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=C(F)C=C3)C2)CC1	REAL300012598368	0	57	0.0	-54.57	438.58	9.13	-45.44
CN1CCC([N@H+]2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=C(F)C=C3)C2)CC1	REAL300012598368	1	57	0.0	-54.45	438.67	9.15	-45.30
C[NH+]1CCC(N2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=C(F)C=C3)C2)CC1	REAL300012598368	1	57	0.0	-64.97	439.33	9.09	-55.88
CCC(C)(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598369	0	53	0.0	-70.25	380.02	4.59	-65.66
CCC(C)(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598369	1	53	0.0	-71.25	380.05	4.65	-66.60
CCC(C)(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598369	1	53	0.0	-71.87	372.68	4.32	-67.55
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)C2)CC1	REAL300012598370	0	58	0.0	-73.26	429.68	7.52	-65.74
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)C2)CC1	REAL300012598370	1	58	0.0	-74.36	431.32	7.64	-66.72
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)C2)CC1	REAL300012598370	1	58	0.0	-84.25	430.84	7.57	-76.68
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)C2)CC1	REAL300012598371	0	54	0.0	-72.02	422.34	6.56	-65.46
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)C2)CC1	REAL300012598371	1	54	0.0	-72.67	422.13	6.57	-66.10
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)C2)CC1	REAL300012598371	1	54	0.0	-80.73	423.01	6.43	-74.30
CN1CCC([N@@H+]2CCC(NC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598372	0	57	0.0	-72.34	419.84	7.08	-65.26
CN1CCC([N@H+]2CCC(NC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598372	1	57	0.0	-73.04	419.36	7.12	-65.92
C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598372	1	57	0.0	-82.22	419.98	7.04	-75.18
CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598373	0	50	0.0	-71.19	373.52	6.07	-65.12
CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598373	1	50	0.0	-71.74	373.32	6.08	-65.66
CCN(CC(=O)[O-])C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598373	1	50	0.0	-76.98	366.47	5.76	-71.22
CCCCCCC(C)(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598374	0	65	0.0	-70.69	465.73	7.72	-62.97
CCCCCCC(C)(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598374	1	65	0.0	-71.45	465.52	7.73	-63.72
CCCCCCC(C)(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598374	1	65	0.0	-72.32	458.67	7.41	-64.91
CN(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012598375	0	60	0.0	-71.13	442.52	9.21	-61.92
CN(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012598375	1	60	0.0	-73.25	444.36	9.24	-64.01
CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012598375	1	60	0.0	-78.18	443.54	9.33	-68.85
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC3)C2)CC1	REAL300012598376	0	48	0.0	-76.38	359.91	4.46	-71.92
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC3)C2)CC1	REAL300012598376	1	48	0.0	-75.96	358.78	4.31	-71.65
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CC3)C2)CC1	REAL300012598376	1	48	0.0	-85.77	359.68	4.38	-81.39
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)C2)CC1	REAL300012598377	0	54	0.0	-69.51	428.27	6.86	-62.65
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)C2)CC1	REAL300012598377	1	54	0.0	-69.30	428.06	6.95	-62.35
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)C2)CC1	REAL300012598377	1	54	0.0	-77.06	428.00	6.92	-70.14
CN1CCC([N@@H+]2CCC(NC(=O)N3CCOCC3C(=O)[O-])C2)CC1	REAL300012598378	0	52	0.0	-77.94	376.64	4.87	-73.07
CN1CCC([N@H+]2CCC(NC(=O)N3CCOCC3C(=O)[O-])C2)CC1	REAL300012598378	1	52	0.0	-77.82	376.16	4.72	-73.10
C[NH+]1CCC(N2CCC(NC(=O)N3CCOCC3C(=O)[O-])C2)CC1	REAL300012598378	1	52	0.0	-87.63	375.81	4.67	-82.96
CN(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C1(C(=O)[O-])CCCCC1	REAL300012598379	0	60	0.0	-75.90	414.65	7.74	-68.16
CN(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C1(C(=O)[O-])CCCCC1	REAL300012598379	1	60	0.0	-76.24	414.61	7.78	-68.46
CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C1(C(=O)[O-])CCCCC1	REAL300012598379	1	60	0.0	-86.31	413.47	7.76	-78.55
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CC3)C2)CC1	REAL300012598380	0	51	0.0	-73.11	381.75	4.76	-68.35
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CC3)C2)CC1	REAL300012598380	1	51	0.0	-73.40	381.76	4.76	-68.64
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3CC3)C2)CC1	REAL300012598380	1	51	0.0	-77.44	382.24	4.73	-72.71
CN1CCC([N@@H+]2CCC(NC(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])C2)CC1	REAL300012598381	0	60	0.0	-57.63	454.91	9.85	-47.78
CN1CCC([N@H+]2CCC(NC(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])C2)CC1	REAL300012598381	1	60	0.0	-57.40	453.80	9.72	-47.68
C[NH+]1CCC(N2CCC(NC(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])C2)CC1	REAL300012598381	1	60	0.0	-67.58	453.95	9.79	-57.79
CN(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012598382	0	57	0.0	-73.61	421.58	8.67	-64.94
CN(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012598382	1	57	0.0	-70.40	418.80	7.91	-62.49
CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012598382	1	57	0.0	-78.42	420.70	8.05	-70.37
COCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598383	0	54	0.0	-56.47	404.53	5.24	-51.23
COCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598383	1	54	0.0	-55.84	405.22	5.27	-50.57
COCCN(CC(=O)[O-])C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598383	1	54	0.0	-62.58	397.84	4.94	-57.64
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCC4=CC=CC=C43)C2)CC1	REAL300012598384	0	58	0.0	-76.22	426.23	7.44	-68.78
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCC4=CC=CC=C43)C2)CC1	REAL300012598384	1	58	0.0	-76.04	426.23	7.41	-68.63
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCC4=CC=CC=C43)C2)CC1	REAL300012598384	1	58	0.0	-87.44	425.48	7.35	-80.09
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])C2)CC1	REAL300012598385	0	51	0.0	-79.18	376.20	5.77	-73.41
CN1CCC([N@H+]2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])C2)CC1	REAL300012598385	1	51	0.0	-79.21	376.22	5.77	-73.44
C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])C2)CC1	REAL300012598385	1	51	0.0	-87.50	376.30	5.75	-81.75
CN1CCC([N@@H+]2CCC(NC(=O)N3CCCC[C@@H]3C(=O)[O-])C2)CC1	REAL300012598386	0	54	0.0	-79.07	385.26	7.18	-71.89
CN1CCC([N@H+]2CCC(NC(=O)N3CCCC[C@@H]3C(=O)[O-])C2)CC1	REAL300012598386	1	54	0.0	-80.25	384.90	7.22	-73.03
C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3C(=O)[O-])C2)CC1	REAL300012598386	1	54	0.0	-90.26	384.77	7.12	-83.14
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598387	0	50	0.0	-67.92	366.10	5.22	-62.70
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598387	1	50	0.0	-68.55	366.44	5.23	-63.32
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598387	1	50	0.0	-74.13	365.26	5.13	-69.00
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC[C@H]3C(=O)[O-])C2)CC1	REAL300012598388	0	51	0.0	-78.42	374.90	5.80	-72.62
CN1CCC([N@H+]2CCC(NC(=O)N3CCC[C@H]3C(=O)[O-])C2)CC1	REAL300012598388	1	51	0.0	-76.88	374.11	5.64	-71.24
C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3C(=O)[O-])C2)CC1	REAL300012598388	1	51	0.0	-88.29	376.38	5.70	-82.59
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCC3)C2)CC1	REAL300012598389	0	51	0.0	-75.62	376.46	4.98	-70.64
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCC3)C2)CC1	REAL300012598389	1	51	0.0	-76.05	376.51	4.97	-71.08
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCC3)C2)CC1	REAL300012598389	1	51	0.0	-85.05	376.23	4.91	-80.14
C=CCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598390	0	51	0.0	-71.57	388.68	4.72	-66.85
C=CCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598390	1	51	0.0	-70.46	387.87	4.73	-65.73
C=CCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598390	1	51	0.0	-76.99	381.58	4.48	-72.51
CN1CCC([N@@H+]2CCC(NC(=O)N3CCCC3(C)C(=O)[O-])C2)CC1	REAL300012598391	0	54	0.0	-77.60	391.23	6.71	-70.89
CN1CCC([N@H+]2CCC(NC(=O)N3CCCC3(C)C(=O)[O-])C2)CC1	REAL300012598391	1	54	0.0	-77.69	391.21	6.72	-70.97
C[NH+]1CCC(N2CCC(NC(=O)N3CCCC3(C)C(=O)[O-])C2)CC1	REAL300012598391	1	54	0.0	-84.27	391.24	6.71	-77.56
CN1CCC([N@@H+]2CCC(NC(=O)N3CCCCCC3C(=O)[O-])C2)CC1	REAL300012598392	0	57	0.0	-76.43	400.30	8.03	-68.40
CN1CCC([N@H+]2CCC(NC(=O)N3CCCCCC3C(=O)[O-])C2)CC1	REAL300012598392	1	57	0.0	-77.16	401.67	8.16	-69.00
C[NH+]1CCC(N2CCC(NC(=O)N3CCCCCC3C(=O)[O-])C2)CC1	REAL300012598392	1	57	0.0	-88.38	399.56	8.05	-80.33
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CC3)C2)CC1	REAL300012598393	0	51	0.0	-73.11	381.75	4.76	-68.35
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CC3)C2)CC1	REAL300012598393	1	51	0.0	-73.40	381.76	4.76	-68.64
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3CC3)C2)CC1	REAL300012598393	1	51	0.0	-77.44	382.24	4.73	-72.71
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598394	0	50	0.0	-68.44	365.74	5.22	-63.22
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598394	1	50	0.0	-68.37	366.41	5.33	-63.04
CC(C(=O)[O-])N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598394	1	50	0.0	-72.59	359.57	5.01	-67.58
CCCCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598395	0	56	0.0	-72.03	418.36	5.82	-66.21
CCCCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598395	1	56	0.0	-71.99	418.39	5.83	-66.16
CCCCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598395	1	56	0.0	-71.42	410.71	5.52	-65.90
CN1CCC([N@@H+]2CCC(NC(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])C2)CC1	REAL300012598396	0	60	0.0	-57.63	454.91	9.85	-47.78
CN1CCC([N@H+]2CCC(NC(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])C2)CC1	REAL300012598396	1	60	0.0	-57.40	453.80	9.72	-47.68
C[NH+]1CCC(N2CCC(NC(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])C2)CC1	REAL300012598396	1	60	0.0	-67.58	453.95	9.79	-57.79
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC[C@@]3(C)C(=O)[O-])C2)CC1	REAL300012598397	0	54	0.0	-77.92	391.81	6.74	-71.18
CN1CCC([N@H+]2CCC(NC(=O)N3CCC[C@@]3(C)C(=O)[O-])C2)CC1	REAL300012598397	1	54	0.0	-77.41	391.24	6.73	-70.68
C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@]3(C)C(=O)[O-])C2)CC1	REAL300012598397	1	54	0.0	-86.98	391.55	6.65	-80.33
CN1CCC([N@@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CCCC3)C2)CC1	REAL300012598398	0	57	0.0	-54.67	409.49	7.63	-47.04
CN1CCC([N@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CCCC3)C2)CC1	REAL300012598398	1	57	0.0	-55.36	408.75	7.51	-47.85
C[NH+]1CCC(N2CCC(NC(=O)N(CC(=O)[O-])C3CCCC3)C2)CC1	REAL300012598398	1	57	0.0	-67.67	410.56	7.72	-59.95
COCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598399	0	51	0.0	-72.50	387.30	2.55	-69.95
COCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598399	1	51	0.0	-73.30	387.26	2.52	-70.78
COCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598399	1	51	0.0	-79.24	380.26	2.25	-76.99
CCCCCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598400	0	59	0.0	-71.30	439.03	6.61	-64.69
CCCCCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598400	1	59	0.0	-72.04	439.88	6.60	-65.44
CCCCCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598400	1	59	0.0	-72.06	433.04	6.28	-65.78
CCC1CCC(NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)(C(=O)[O-])CC1	REAL300012598401	0	63	0.0	-74.49	444.17	7.72	-66.77
CCC1CCC(NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)(C(=O)[O-])CC1	REAL300012598401	1	63	0.0	-70.80	437.62	6.99	-63.81
CCC1CCC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)(C(=O)[O-])CC1	REAL300012598401	1	63	0.0	-81.31	436.99	6.91	-74.40
CN1CCC([N@@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CCOCC3)C2)CC1	REAL300012598402	0	58	0.0	-56.12	418.06	5.98	-50.14
CN1CCC([N@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CCOCC3)C2)CC1	REAL300012598402	1	58	0.0	-54.74	418.68	5.99	-48.75
C[NH+]1CCC(N2CCC(NC(=O)N(CC(=O)[O-])C3CCOCC3)C2)CC1	REAL300012598402	1	58	0.0	-66.40	417.33	5.91	-60.49
CN(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C1(C(=O)[O-])CCCC1	REAL300012598403	0	57	0.0	-77.27	401.06	7.05	-70.22
CN(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C1(C(=O)[O-])CCCC1	REAL300012598403	1	57	0.0	-78.62	402.34	7.31	-71.31
CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C1(C(=O)[O-])CCCC1	REAL300012598403	1	57	0.0	-87.05	400.27	6.97	-80.08
CC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C1CC1	REAL300012598404	0	54	0.0	-70.25	384.42	6.37	-63.88
CC(C(=O)[O-])N(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C1CC1	REAL300012598404	1	54	0.0	-60.37	391.79	6.77	-53.60
CC(C(=O)[O-])N(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C1CC1	REAL300012598404	1	54	0.0	-73.64	384.37	6.33	-67.31
CCC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C1CC1	REAL300012598405	0	57	0.0	-71.12	403.19	7.33	-63.79
CCC(C(=O)[O-])N(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C1CC1	REAL300012598405	1	57	0.0	-58.49	413.30	7.94	-50.55
CCC(C(=O)[O-])N(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C1CC1	REAL300012598405	1	57	0.0	-68.54	412.73	7.80	-60.74
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3Cl)C2)CC1	REAL300012598406	0	54	0.0	-74.42	424.01	6.79	-67.63
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3Cl)C2)CC1	REAL300012598406	1	54	0.0	-74.51	424.15	6.82	-67.69
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3Cl)C2)CC1	REAL300012598406	1	54	0.0	-82.32	424.84	6.74	-75.58
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3F)C2)CC1	REAL300012598407	0	54	0.0	-78.38	415.86	6.41	-71.97
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3F)C2)CC1	REAL300012598407	1	54	0.0	-77.81	415.76	6.50	-71.31
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3F)C2)CC1	REAL300012598407	1	54	0.0	-85.69	416.34	6.42	-79.27
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])C2)CC1	REAL300012598408	0	58	0.0	-58.84	427.16	8.67	-50.17
CN1CCC([N@H+]2CCC(NC(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])C2)CC1	REAL300012598408	1	58	0.0	-60.84	427.26	8.62	-52.22
C[NH+]1CCC(N2CCC(NC(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])C2)CC1	REAL300012598408	1	58	0.0	-70.47	426.91	8.57	-61.90
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3CCCCC3)C(=O)[O-])C2)CC1	REAL300012598409	0	63	0.0	-72.88	455.69	7.46	-65.42
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3CCCCC3)C(=O)[O-])C2)CC1	REAL300012598409	1	63	0.0	-72.76	455.73	7.50	-65.26
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3CCCCC3)C(=O)[O-])C2)CC1	REAL300012598409	1	63	0.0	-80.34	454.84	7.47	-72.87
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598410	0	60	0.0	-56.43	444.41	9.97	-46.46
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598410	1	60	0.0	-56.68	444.06	9.80	-46.88
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598410	1	60	0.0	-68.87	446.80	9.50	-59.37
CC1=CC=C(C(NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)[O-])C=C1	REAL300012598411	0	57	0.0	-73.14	432.90	7.01	-66.13
CC1=CC=C(C(NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C(=O)[O-])C=C1	REAL300012598411	1	57	0.0	-72.52	432.74	7.11	-65.41
CC1=CC=C(C(NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C(=O)[O-])C=C1	REAL300012598411	1	57	0.0	-80.81	433.34	7.03	-73.78
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C2)CC1	REAL300012598412	0	50	0.0	-65.91	391.51	4.95	-60.96
CN1CCC([N@H+]2CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C2)CC1	REAL300012598412	1	50	0.0	-65.46	390.50	5.00	-60.46
C[NH+]1CCC(N2CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C2)CC1	REAL300012598412	1	50	0.0	-71.17	384.23	4.73	-66.44
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCSCC3)C2)CC1	REAL300012598413	0	55	0.0	-70.98	402.80	6.15	-64.83
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCSCC3)C2)CC1	REAL300012598413	1	55	0.0	-71.38	402.54	6.17	-65.21
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCSCC3)C2)CC1	REAL300012598413	1	55	0.0	-79.54	403.19	6.09	-73.45
COCC(C)(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598414	0	54	0.0	-75.10	397.98	3.92	-71.18
COCC(C)(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598414	1	54	0.0	-75.48	397.77	3.92	-71.56
COCC(C)(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598414	1	54	0.0	-76.01	390.92	3.61	-72.40
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598415	0	57	0.0	-69.41	417.96	5.57	-63.84
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598415	1	57	0.0	-69.92	417.76	5.58	-64.34
CCOCC(C(=O)[O-])N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598415	1	57	0.0	-74.48	410.92	5.26	-69.22
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598416	0	56	0.0	-54.19	403.03	6.90	-47.29
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598416	1	56	0.0	-55.54	409.21	7.14	-48.40
CC(C)CN(CC(=O)[O-])C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598416	1	56	0.0	-60.91	402.38	6.83	-54.08
CN1CCC([N@@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CC3)C2)CC1	REAL300012598417	0	51	0.0	-55.11	377.01	6.50	-48.61
CN1CCC([N@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CC3)C2)CC1	REAL300012598417	1	51	0.0	-74.58	378.41	6.46	-68.12
C[NH+]1CCC(N2CCC(NC(=O)N(CC(=O)[O-])C3CC3)C2)CC1	REAL300012598417	1	51	0.0	-67.40	375.88	6.52	-60.88
CN1CCC([N@@H+]2CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C2)CC1	REAL300012598418	0	53	0.0	-56.91	413.14	7.21	-49.70
CN1CCC([N@H+]2CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C2)CC1	REAL300012598418	1	53	0.0	-53.20	407.74	7.00	-46.20
C[NH+]1CCC(N2CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C2)CC1	REAL300012598418	1	53	0.0	-60.41	406.10	6.91	-53.50
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCOC3)C2)CC1	REAL300012598419	0	52	0.0	-70.28	381.60	2.67	-67.61
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCOC3)C2)CC1	REAL300012598419	1	52	0.0	-70.97	380.90	2.77	-68.20
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCOC3)C2)CC1	REAL300012598419	1	52	0.0	-77.92	381.03	2.70	-75.22
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCCC3)C2)CC1	REAL300012598420	0	60	0.0	-73.05	434.25	6.72	-66.33
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCCC3)C2)CC1	REAL300012598420	1	60	0.0	-74.16	429.15	6.48	-67.68
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCCCC3)C2)CC1	REAL300012598420	1	60	0.0	-79.90	430.42	6.60	-73.30
CN(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(COC1CCC1)C(=O)[O-]	REAL300012598421	0	61	0.0	-70.21	445.38	7.06	-63.15
CN(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(COC1CCC1)C(=O)[O-]	REAL300012598421	1	61	0.0	-70.90	444.64	7.05	-63.85
CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(COC1CCC1)C(=O)[O-]	REAL300012598421	1	61	0.0	-75.64	444.16	6.91	-68.73
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCOCC3)C2)CC1	REAL300012598422	0	55	0.0	-74.14	396.53	3.97	-70.17
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCOCC3)C2)CC1	REAL300012598422	1	55	0.0	-74.48	396.36	3.98	-70.50
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCOCC3)C2)CC1	REAL300012598422	1	55	0.0	-82.45	396.92	3.91	-78.54
C=CCCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598423	0	54	0.0	-71.21	409.89	5.59	-65.62
C=CCCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598423	1	54	0.0	-71.32	409.46	5.67	-65.65
C=CCCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598423	1	54	0.0	-71.21	402.02	5.30	-65.91
CN1CCC([N@@H+]2CCC(NC(=O)NC(CF)C(=O)[O-])C2)CC1	REAL300012598424	0	47	0.0	-60.50	357.37	3.26	-57.24
CN1CCC([N@H+]2CCC(NC(=O)NC(CF)C(=O)[O-])C2)CC1	REAL300012598424	1	47	0.0	-60.78	357.17	3.27	-57.51
C[NH+]1CCC(N2CCC(NC(=O)NC(CF)C(=O)[O-])C2)CC1	REAL300012598424	1	47	0.0	-63.26	350.33	2.95	-60.31
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598425	0	60	0.0	-46.60	441.92	10.12	-36.48
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598425	1	60	0.0	-46.24	442.51	10.04	-36.20
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598425	1	60	0.0	-64.89	443.28	10.05	-54.84
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598426	0	50	0.0	-68.44	365.74	5.22	-63.22
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598426	1	50	0.0	-68.37	366.41	5.33	-63.04
CC(C(=O)[O-])N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598426	1	50	0.0	-72.59	359.57	5.01	-67.58
CCC(CC)(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598427	0	56	0.0	-71.64	396.11	5.52	-66.12
CCC(CC)(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598427	1	56	0.0	-72.36	395.89	5.53	-66.83
CCC(CC)(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598427	1	56	0.0	-72.87	389.35	5.21	-67.66
COC1=CC=C(C(NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)[O-])C=C1	REAL300012598428	0	58	0.0	-72.31	440.79	5.71	-66.60
COC1=CC=C(C(NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C(=O)[O-])C=C1	REAL300012598428	1	58	0.0	-72.87	441.03	5.64	-67.23
COC1=CC=C(C(NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C(=O)[O-])C=C1	REAL300012598428	1	58	0.0	-81.07	441.01	5.60	-75.47
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598429	0	56	0.0	-55.46	404.24	7.40	-48.06
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598429	1	56	0.0	-52.44	407.17	7.53	-44.91
CCC(C)N(CC(=O)[O-])C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598429	1	56	0.0	-61.02	397.19	7.09	-53.93
CCC(COC)(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598430	0	57	0.0	-76.31	414.64	4.82	-71.49
CCC(COC)(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598430	1	57	0.0	-76.78	414.46	4.83	-71.95
CCC(COC)(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598430	1	57	0.0	-77.16	407.60	4.51	-72.65
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598431	0	60	0.0	-69.98	438.31	6.43	-63.55
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598431	1	60	0.0	-70.79	438.65	6.42	-64.37
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598431	1	60	0.0	-75.45	431.81	6.11	-69.34
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3CC3)C(=O)[O-])C2)CC1	REAL300012598432	0	54	0.0	-71.81	407.37	5.69	-66.12
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3CC3)C(=O)[O-])C2)CC1	REAL300012598432	1	54	0.0	-71.51	407.27	5.78	-65.73
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3CC3)C(=O)[O-])C2)CC1	REAL300012598432	1	54	0.0	-77.62	406.94	5.79	-71.83
COCCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598433	0	54	0.0	-72.51	409.04	3.33	-69.18
COCCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598433	1	54	0.0	-72.44	409.06	3.34	-69.10
COCCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598433	1	54	0.0	-71.45	401.38	3.04	-68.41
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598434	0	59	0.0	-70.36	424.83	7.67	-62.69
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598434	1	59	0.0	-70.04	425.44	7.63	-62.41
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598434	1	59	0.0	-75.06	418.71	7.39	-67.67
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC(F)F)C(=O)[O-])C2)CC1	REAL300012598435	0	50	0.0	-71.35	386.88	4.57	-66.78
CN1CCC([N@H+]2CCC(NC(=O)NC(CC(F)F)C(=O)[O-])C2)CC1	REAL300012598435	1	50	0.0	-67.29	386.00	4.80	-62.49
C[NH+]1CCC(N2CCC(NC(=O)NC(CC(F)F)C(=O)[O-])C2)CC1	REAL300012598435	1	50	0.0	-70.63	380.06	4.26	-66.37
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598436	0	60	0.0	-78.36	426.44	8.38	-69.98
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598436	1	60	0.0	-78.61	428.52	8.64	-69.97
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598436	1	60	0.0	-87.24	428.37	8.81	-78.43
CCCN(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(C)C(=O)[O-]	REAL300012598437	0	56	0.0	-47.82	405.79	7.70	-40.12
CCCN(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(C)C(=O)[O-]	REAL300012598437	1	56	0.0	-69.30	405.67	6.92	-62.38
CCCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(C)C(=O)[O-]	REAL300012598437	1	56	0.0	-73.81	397.57	6.50	-67.31
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598438	0	60	0.0	-75.17	442.06	10.03	-65.14
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598438	1	60	0.0	-76.99	441.40	9.96	-67.03
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598438	1	60	0.0	-61.74	442.31	9.98	-51.76
CCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012598439	0	60	0.0	-73.20	436.52	8.01	-65.19
CCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012598439	1	60	0.0	-73.82	436.32	8.01	-65.81
CCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012598439	1	60	0.0	-84.09	436.85	7.91	-76.18
COC1CCCC(C(NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)[O-])C1	REAL300012598440	0	64	0.0	-74.83	464.78	5.74	-69.09
COC1CCCC(C(NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C(=O)[O-])C1	REAL300012598440	1	64	0.0	-73.36	462.51	5.91	-67.45
COC1CCCC(C(NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C(=O)[O-])C1	REAL300012598440	1	64	0.0	-84.23	461.50	5.49	-78.74
CN1CCC([N@@H+]2CCC(NC(=O)NC(CCF)C(=O)[O-])C2)CC1	REAL300012598441	0	50	0.0	-69.98	381.34	4.42	-65.56
CN1CCC([N@H+]2CCC(NC(=O)NC(CCF)C(=O)[O-])C2)CC1	REAL300012598441	1	50	0.0	-71.19	381.98	4.41	-66.78
C[NH+]1CCC(N2CCC(NC(=O)NC(CCF)C(=O)[O-])C2)CC1	REAL300012598441	1	50	0.0	-70.54	375.13	4.10	-66.44
COC1(CC(NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)[O-])CCC1	REAL300012598442	0	61	0.0	-71.84	444.62	5.76	-66.08
COC1(CC(NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C(=O)[O-])CCC1	REAL300012598442	1	61	0.0	-72.96	444.63	5.70	-67.26
COC1(CC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C(=O)[O-])CCC1	REAL300012598442	1	61	0.0	-81.26	447.67	5.34	-75.92
CN1CCC([N@@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CCOCC3)C2)CC1	REAL300012598443	0	58	0.0	-56.12	418.06	5.98	-50.14
CN1CCC([N@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CCOCC3)C2)CC1	REAL300012598443	1	58	0.0	-54.74	418.68	5.99	-48.75
C[NH+]1CCC(N2CCC(NC(=O)N(CC(=O)[O-])C3CCOCC3)C2)CC1	REAL300012598443	1	58	0.0	-66.40	417.33	5.91	-60.49
CN1CCC([N@@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CCCCC3)C2)CC1	REAL300012598444	0	60	0.0	-55.08	426.89	8.34	-46.74
CN1CCC([N@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CCCCC3)C2)CC1	REAL300012598444	1	60	0.0	-55.83	427.05	8.36	-47.47
C[NH+]1CCC(N2CCC(NC(=O)N(CC(=O)[O-])C3CCCCC3)C2)CC1	REAL300012598444	1	60	0.0	-65.51	426.39	8.26	-57.25
C[C@H]1CC[C@@](NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)(C(=O)[O-])CC1	REAL300012598445	0	60	0.0	-75.50	418.62	6.85	-68.65
C[C@H]1CC[C@@](NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)(C(=O)[O-])CC1	REAL300012598445	1	60	0.0	-75.12	418.52	6.85	-68.27
C[C@H]1CC[C@@](NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)(C(=O)[O-])CC1	REAL300012598445	1	60	0.0	-80.54	417.58	6.81	-73.73
COC1=CC=CC(C(NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)[O-])=C1	REAL300012598446	0	58	0.0	-74.95	441.24	5.62	-69.33
COC1=CC=CC(C(NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C(=O)[O-])=C1	REAL300012598446	1	58	0.0	-75.37	441.05	5.64	-69.73
COC1=CC=CC(C(NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C(=O)[O-])=C1	REAL300012598446	1	58	0.0	-84.22	441.62	5.56	-78.66
CN1CCC([N@@H+]2CCC(NC(=O)NC(C)(CCF)C(=O)[O-])C2)CC1	REAL300012598447	0	53	0.0	-67.61	386.61	4.73	-62.88
CN1CCC([N@H+]2CCC(NC(=O)NC(C)(CCF)C(=O)[O-])C2)CC1	REAL300012598447	1	53	0.0	-68.54	386.64	4.79	-63.75
C[NH+]1CCC(N2CCC(NC(=O)NC(C)(CCF)C(=O)[O-])C2)CC1	REAL300012598447	1	53	0.0	-68.80	379.27	4.46	-64.34
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])C2)CC1	REAL300012598448	0	55	0.0	-61.42	408.47	6.83	-54.59
CN1CCC([N@H+]2CCC(NC(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])C2)CC1	REAL300012598448	1	55	0.0	-61.21	408.38	6.83	-54.38
C[NH+]1CCC(N2CCC(NC(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])C2)CC1	REAL300012598448	1	55	0.0	-69.18	409.11	6.88	-62.30
CN1CCC([N@@H+]2CCC(NC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C2)CC1	REAL300012598449	0	51	0.0	-73.11	389.21	5.94	-67.17
CN1CCC([N@H+]2CCC(NC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C2)CC1	REAL300012598449	1	51	0.0	-73.13	387.88	5.82	-67.31
C[NH+]1CCC(N2CCC(NC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C2)CC1	REAL300012598449	1	51	0.0	-77.02	382.49	5.63	-71.39
COC1=CC=CC([C@H](NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)[O-])=C1	REAL300012598450	0	58	0.0	-75.00	441.25	5.62	-69.38
COC1=CC=CC([C@H](NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C(=O)[O-])=C1	REAL300012598450	1	58	0.0	-74.91	440.78	5.71	-69.20
COC1=CC=CC([C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C(=O)[O-])=C1	REAL300012598450	1	58	0.0	-81.88	440.37	5.64	-76.24
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598451	0	50	0.0	-67.96	366.61	5.33	-62.63
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598451	1	50	0.0	-68.29	366.41	5.33	-62.96
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598451	1	50	0.0	-72.96	365.42	5.32	-67.64
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C1	REAL300012598452	0	60	0.0	-78.17	439.76	7.82	-70.35
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C1	REAL300012598452	1	60	0.0	-78.83	440.65	8.06	-70.77
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C1	REAL300012598452	1	60	0.0	-81.09	441.08	7.03	-74.06
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)C2)CC1	REAL300012598453	0	63	0.0	-75.68	433.00	7.35	-68.33
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)C2)CC1	REAL300012598453	1	63	0.0	-76.56	432.82	7.35	-69.21
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)C2)CC1	REAL300012598453	1	63	0.0	-86.45	432.17	7.29	-79.16
CN1CCC([N@@H+]2CCC(NC(=O)N3CC4CC3(C(=O)[O-])C4)C2)CC1	REAL300012598454	0	52	0.0	-83.51	382.71	6.75	-76.76
CN1CCC([N@H+]2CCC(NC(=O)N3CC4CC3(C(=O)[O-])C4)C2)CC1	REAL300012598454	1	52	0.0	-84.23	382.14	6.74	-77.49
C[NH+]1CCC(N2CCC(NC(=O)N3CC4CC3(C(=O)[O-])C4)C2)CC1	REAL300012598454	1	52	0.0	-92.50	382.26	6.72	-85.78
COC1CN(C(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C(C)(C(=O)[O-])C1	REAL300012598455	0	58	0.0	-77.78	424.43	5.70	-72.08
COC1CN(C(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C(C)(C(=O)[O-])C1	REAL300012598455	1	58	0.0	-78.24	424.47	5.71	-72.53
COC1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C(C)(C(=O)[O-])C1	REAL300012598455	1	58	0.0	-83.71	423.41	5.66	-78.05
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3CCCOC3)C(=O)[O-])C2)CC1	REAL300012598456	0	61	0.0	-70.12	442.56	5.85	-64.27
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3CCCOC3)C(=O)[O-])C2)CC1	REAL300012598456	1	61	0.0	-71.03	442.60	5.79	-65.24
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3CCCOC3)C(=O)[O-])C2)CC1	REAL300012598456	1	61	0.0	-78.94	442.32	5.74	-73.20
CN1CCC([N@@H+]2CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2)CC1	REAL300012598457	0	56	0.0	-72.70	406.37	5.37	-67.33
CN1CCC([N@H+]2CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2)CC1	REAL300012598457	1	56	0.0	-73.09	406.72	5.38	-67.71
C[NH+]1CCC(N2CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2)CC1	REAL300012598457	1	56	0.0	-79.06	406.11	5.35	-73.71
C=C(Cl)CC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598458	0	51	0.0	-72.09	403.80	5.35	-66.74
C=C(Cl)CC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598458	1	51	0.0	-71.92	403.82	5.35	-66.57
C=C(Cl)CC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598458	1	51	0.0	-73.73	396.77	5.15	-68.58
C=C(C)CC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598459	0	54	0.0	-72.58	406.94	5.57	-67.01
C=C(C)CC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598459	1	54	0.0	-72.83	408.52	5.58	-67.25
C=C(C)CC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598459	1	54	0.0	-77.83	399.88	5.34	-72.49
CN1CCC([N@@H+]2CCC(NC(=O)N3C4CCC3(C(=O)[O-])CC4)C2)CC1	REAL300012598460	0	55	0.0	-83.39	393.94	7.62	-75.77
CN1CCC([N@H+]2CCC(NC(=O)N3C4CCC3(C(=O)[O-])CC4)C2)CC1	REAL300012598460	1	55	0.0	-83.93	394.76	7.66	-76.27
C[NH+]1CCC(N2CCC(NC(=O)N3C4CCC3(C(=O)[O-])CC4)C2)CC1	REAL300012598460	1	55	0.0	-91.01	394.02	7.60	-83.41
CN1CCC([N@@H+]2CCC(NC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C2)CC1	REAL300012598461	0	51	0.0	-71.72	388.20	5.96	-65.76
CN1CCC([N@H+]2CCC(NC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C2)CC1	REAL300012598461	1	51	0.0	-72.45	388.54	5.95	-66.50
C[NH+]1CCC(N2CCC(NC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C2)CC1	REAL300012598461	1	51	0.0	-79.96	388.63	5.87	-74.09
CN1CCC([N@@H+]2CCC(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C2)CC1	REAL300012598462	0	51	0.0	-76.16	381.33	5.87	-70.29
CN1CCC([N@H+]2CCC(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C2)CC1	REAL300012598462	1	51	0.0	-74.81	380.50	5.74	-69.07
C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C2)CC1	REAL300012598462	1	51	0.0	-83.83	380.54	5.83	-78.00
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C1	REAL300012598463	0	52	0.0	-77.29	388.88	6.22	-71.07
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C1	REAL300012598463	1	52	0.0	-78.08	388.23	6.25	-71.83
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C1	REAL300012598463	1	52	0.0	-86.47	388.45	6.22	-80.25
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3CCOCC3)C(=O)[O-])C2)CC1	REAL300012598464	0	61	0.0	-73.27	447.03	5.07	-68.20
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3CCOCC3)C(=O)[O-])C2)CC1	REAL300012598464	1	61	0.0	-72.68	442.60	5.75	-66.93
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3CCOCC3)C(=O)[O-])C2)CC1	REAL300012598464	1	61	0.0	-77.82	435.79	5.44	-72.38
CC(C)C[C@H](NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598465	0	56	0.0	-71.84	414.24	5.60	-66.24
CC(C)C[C@H](NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598465	1	56	0.0	-71.41	413.23	5.59	-65.82
CC(C)C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598465	1	56	0.0	-79.92	413.42	5.51	-74.41
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCOCC3)C2)CC1	REAL300012598466	0	58	0.0	-73.30	425.37	4.32	-68.98
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCOCC3)C2)CC1	REAL300012598466	1	58	0.0	-71.19	422.48	4.28	-66.91
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCOCC3)C2)CC1	REAL300012598466	1	58	0.0	-73.11	418.56	4.00	-69.11
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598467	0	54	0.0	-72.32	410.89	6.37	-65.95
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598467	1	54	0.0	-72.90	411.52	6.34	-66.56
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598467	1	54	0.0	-79.69	411.23	6.40	-73.29
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3CC3)C(=O)[O-])C2)CC1	REAL300012598468	0	54	0.0	-71.81	407.37	5.69	-66.12
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3CC3)C(=O)[O-])C2)CC1	REAL300012598468	1	54	0.0	-71.51	407.27	5.78	-65.73
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3CC3)C(=O)[O-])C2)CC1	REAL300012598468	1	54	0.0	-77.62	406.94	5.79	-71.83
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3=CN=CS3)C(=O)[O-])C2)CC1	REAL300012598469	0	53	0.0	-70.58	420.33	4.44	-66.14
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3=CN=CS3)C(=O)[O-])C2)CC1	REAL300012598469	1	53	0.0	-69.62	419.53	4.49	-65.13
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3=CN=CS3)C(=O)[O-])C2)CC1	REAL300012598469	1	53	0.0	-79.61	421.16	4.36	-75.25
CC(C)CCCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598470	0	62	0.0	-72.11	457.43	7.12	-64.99
CC(C)CCCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598470	1	62	0.0	-71.50	457.21	7.17	-64.33
CC(C)CCCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598470	1	62	0.0	-72.07	450.61	6.79	-65.28
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3CCCO3)C(=O)[O-])C2)CC1	REAL300012598471	0	58	0.0	-70.69	430.06	5.07	-65.62
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3CCCO3)C(=O)[O-])C2)CC1	REAL300012598471	1	58	0.0	-76.34	432.04	4.63	-71.71
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3CCCO3)C(=O)[O-])C2)CC1	REAL300012598471	1	58	0.0	-80.61	429.38	5.11	-75.50
CSCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598472	0	51	0.0	-68.42	399.04	4.68	-63.74
CSCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598472	1	51	0.0	-68.86	398.86	4.70	-64.16
CSCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598472	1	51	0.0	-75.05	392.24	4.31	-70.74
COC[C@H](NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598473	0	51	0.0	-72.95	387.44	2.50	-70.45
COC[C@H](NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598473	1	51	0.0	-72.57	386.74	2.50	-70.07
COC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598473	1	51	0.0	-80.63	386.11	2.41	-78.22
CC[C@H](NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598474	0	50	0.0	-70.84	374.76	4.28	-66.56
CC[C@H](NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598474	1	50	0.0	-71.14	374.54	4.29	-66.85
CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598474	1	50	0.0	-78.99	373.91	4.19	-74.80
CN1CCC([N@@H+]2CCC(NC(=O)N[C@H](CC3=CC=C(F)C=C3)C(=O)[O-])C2)CC1	REAL300012598475	0	57	0.0	-70.63	440.19	7.41	-63.22
CN1CCC([N@H+]2CCC(NC(=O)N[C@H](CC3=CC=C(F)C=C3)C(=O)[O-])C2)CC1	REAL300012598475	1	57	0.0	-71.27	439.97	7.41	-63.86
C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CC3=CC=C(F)C=C3)C(=O)[O-])C2)CC1	REAL300012598475	1	57	0.0	-79.36	439.58	7.27	-72.09
CCC(C)CC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598476	0	59	0.0	-71.31	432.27	6.28	-65.03
CCC(C)CC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598476	1	59	0.0	-71.39	431.50	6.25	-65.14
CCC(C)CC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598476	1	59	0.0	-71.72	424.64	5.93	-65.79
C=CCCCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598477	0	57	0.0	-70.75	430.34	6.39	-64.36
C=CCCCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598477	1	57	0.0	-72.11	431.20	6.38	-65.73
C=CCCCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598477	1	57	0.0	-71.15	423.52	6.08	-65.07
CN1CCC([N@@H+]2CCC(NC(=O)N[C@@H](CC3=CC=C(F)C=C3)C(=O)[O-])C2)CC1	REAL300012598478	0	57	0.0	-70.67	440.13	7.42	-63.25
CN1CCC([N@H+]2CCC(NC(=O)N[C@@H](CC3=CC=C(F)C=C3)C(=O)[O-])C2)CC1	REAL300012598478	1	57	0.0	-71.57	440.15	7.35	-64.22
C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CC3=CC=C(F)C=C3)C(=O)[O-])C2)CC1	REAL300012598478	1	57	0.0	-76.61	439.28	7.34	-69.27
CN1CCC([N@@H+]2CCC(NC(=O)N3CCSCC3C(=O)[O-])C2)CC1	REAL300012598479	0	52	0.0	-77.96	385.33	7.18	-70.78
CN1CCC([N@H+]2CCC(NC(=O)N3CCSCC3C(=O)[O-])C2)CC1	REAL300012598479	1	52	0.0	-80.47	385.59	7.41	-73.06
C[NH+]1CCC(N2CCC(NC(=O)N3CCSCC3C(=O)[O-])C2)CC1	REAL300012598479	1	52	0.0	-87.51	385.21	7.21	-80.30
CN1CCC([N@@H+]2CCC(NC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598480	0	57	0.0	-72.34	419.84	7.08	-65.26
CN1CCC([N@H+]2CCC(NC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598480	1	57	0.0	-73.04	419.36	7.12	-65.92
C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598480	1	57	0.0	-82.22	419.98	7.04	-75.18
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])C2)CC1	REAL300012598481	0	51	0.0	-79.18	376.20	5.77	-73.41
CN1CCC([N@H+]2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])C2)CC1	REAL300012598481	1	51	0.0	-79.21	376.22	5.77	-73.44
C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])C2)CC1	REAL300012598481	1	51	0.0	-87.50	376.30	5.75	-81.75
CCCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598482	0	53	0.0	-71.87	396.86	5.04	-66.83
CCCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598482	1	53	0.0	-71.50	396.65	5.11	-66.39
CCCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598482	1	53	0.0	-71.51	389.21	4.75	-66.76
CC(C)[C@@H](NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598483	0	53	0.0	-71.87	387.71	4.59	-67.28
CC(C)[C@@H](NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598483	1	53	0.0	-71.61	386.81	4.68	-66.93
CC(C)[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598483	1	53	0.0	-80.34	391.78	4.76	-75.58
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C2)CC1	REAL300012598484	0	55	0.0	-84.22	395.69	7.73	-76.49
CN1CCC([N@H+]2CCC(NC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C2)CC1	REAL300012598484	1	55	0.0	-83.74	394.47	7.61	-76.13
C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C2)CC1	REAL300012598484	1	55	0.0	-92.33	395.96	7.69	-84.64
CCN(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(C)(C)C(=O)[O-]	REAL300012598485	0	56	0.0	-73.18	400.56	6.97	-66.21
CCN(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(C)(C)C(=O)[O-]	REAL300012598485	1	56	0.0	-74.41	400.04	7.02	-67.39
CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C(=O)[O-]	REAL300012598485	1	56	0.0	-80.84	393.27	6.72	-74.12
CCCN(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(C)C(=O)[O-]	REAL300012598486	0	56	0.0	-47.82	405.79	7.70	-40.12
CCCN(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(C)C(=O)[O-]	REAL300012598486	1	56	0.0	-69.30	405.67	6.92	-62.38
CCCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(C)C(=O)[O-]	REAL300012598486	1	56	0.0	-73.81	397.57	6.50	-67.31
CN1CCC([N@@H+]2CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C2)CC1	REAL300012598487	0	50	0.0	-67.07	388.10	6.58	-60.49
CN1CCC([N@H+]2CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C2)CC1	REAL300012598487	1	50	0.0	-67.47	387.93	6.57	-60.90
C[NH+]1CCC(N2CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C2)CC1	REAL300012598487	1	50	0.0	-71.50	381.09	6.27	-65.23
CN1CCC([N@@H+]2CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C2)CC1	REAL300012598488	0	50	0.0	-67.07	388.10	6.58	-60.49
CN1CCC([N@H+]2CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C2)CC1	REAL300012598488	1	50	0.0	-67.47	387.93	6.57	-60.90
C[NH+]1CCC(N2CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C2)CC1	REAL300012598488	1	50	0.0	-71.50	381.09	6.27	-65.23
CN(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(C)(C)C(=O)[O-]	REAL300012598489	0	53	0.0	-74.53	380.70	6.19	-68.34
CN(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(C)(C)C(=O)[O-]	REAL300012598489	1	53	0.0	-73.70	381.07	6.12	-67.58
CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C(=O)[O-]	REAL300012598489	1	53	0.0	-80.85	373.68	5.87	-74.98
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC[C@H]3C(=O)[O-])C2)CC1	REAL300012598490	0	51	0.0	-78.42	374.90	5.80	-72.62
CN1CCC([N@H+]2CCC(NC(=O)N3CCC[C@H]3C(=O)[O-])C2)CC1	REAL300012598490	1	51	0.0	-76.88	374.11	5.64	-71.24
C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3C(=O)[O-])C2)CC1	REAL300012598490	1	51	0.0	-88.29	376.38	5.70	-82.59
CN1CCC([N@@H+]2CCC(NC(=O)N(CCN3CCOCC3)CC(=O)[O-])C2)CC1	REAL300012598491	0	63	0.0	-56.88	456.64	4.33	-52.55
CN1CCC([N@H+]2CCC(NC(=O)N(CCN3CCOCC3)CC(=O)[O-])C2)CC1	REAL300012598491	1	63	0.0	-57.19	461.66	4.56	-52.63
C[NH+]1CCC(N2CCC(NC(=O)N(CCN3CCOCC3)CC(=O)[O-])C2)CC1	REAL300012598491	1	63	0.0	-67.78	462.26	4.49	-63.29
CN1CCC([N@@H+]2CCC(NC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C2)CC1	REAL300012598492	0	52	0.0	-79.34	386.72	2.44	-76.90
CN1CCC([N@H+]2CCC(NC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C2)CC1	REAL300012598492	1	52	0.0	-80.63	386.16	2.48	-78.15
C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C2)CC1	REAL300012598492	1	52	0.0	-88.84	385.51	2.38	-86.46
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598493	0	58	0.0	-53.90	429.39	9.01	-44.89
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598493	1	58	0.0	-53.69	429.41	8.99	-44.70
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598493	1	58	0.0	-68.15	420.63	8.95	-59.20
CCC[C@@H](NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598494	0	53	0.0	-71.02	396.84	5.09	-65.93
CCC[C@@H](NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598494	1	53	0.0	-72.14	396.87	5.04	-67.10
CCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598494	1	53	0.0	-79.41	396.00	5.01	-74.40
CN1CCC([N@@H+]2CCC(NC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598495	0	54	0.0	-72.53	411.73	6.34	-66.19
CN1CCC([N@H+]2CCC(NC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598495	1	54	0.0	-72.59	411.86	6.42	-66.17
C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598495	1	54	0.0	-81.02	411.46	6.41	-74.61
CN1CCC([N@@H+]2CCC(NC(=O)NC(CCC3=CC=NC=C3)C(=O)[O-])C2)CC1	REAL300012598496	0	59	0.0	-73.70	450.82	6.31	-67.39
CN1CCC([N@H+]2CCC(NC(=O)NC(CCC3=CC=NC=C3)C(=O)[O-])C2)CC1	REAL300012598496	1	59	0.0	-74.31	451.68	6.30	-68.01
C[NH+]1CCC(N2CCC(NC(=O)NC(CCC3=CC=NC=C3)C(=O)[O-])C2)CC1	REAL300012598496	1	59	0.0	-73.64	444.83	5.98	-67.66
C=CCCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598497	0	54	0.0	-71.21	409.89	5.59	-65.62
C=CCCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598497	1	54	0.0	-71.32	409.46	5.67	-65.65
C=CCCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598497	1	54	0.0	-71.21	402.02	5.30	-65.91
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3=NC=CS3)C(=O)[O-])C2)CC1	REAL300012598498	0	53	0.0	-74.31	420.87	4.24	-70.07
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3=NC=CS3)C(=O)[O-])C2)CC1	REAL300012598498	1	53	0.0	-74.78	420.13	4.36	-70.42
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3=NC=CS3)C(=O)[O-])C2)CC1	REAL300012598498	1	53	0.0	-78.44	421.19	4.21	-74.23
C[NH+]1CCC(N2CCC(NC(=O)N3CCS(=O)(=O)CC3C(=O)[O-])C2)CC1	REAL300012598499	0	54	0.0	-96.25	404.16	3.67	-92.58
CN1CCC([N@@H+]2CCC(NC(=O)N3CCS(=O)(=O)CC3C(=O)[O-])C2)CC1	REAL300012598499	1	54	0.0	-87.69	404.68	3.71	-83.98
CN1CCC([N@H+]2CCC(NC(=O)N3CCS(=O)(=O)CC3C(=O)[O-])C2)CC1	REAL300012598499	1	54	0.0	-88.82	404.57	3.71	-85.11
CN1CCC([N@@H+]2CCC(NC(=O)N3CC(=O)N(C)CC3C(=O)[O-])C2)CC1	REAL300012598500	0	55	0.0	-71.89	402.19	5.44	-66.45
CN1CCC([N@H+]2CCC(NC(=O)N3CC(=O)N(C)CC3C(=O)[O-])C2)CC1	REAL300012598500	1	55	0.0	-72.57	402.32	5.44	-67.13
CN1CC(C(=O)[O-])N(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)CC1=O	REAL300012598500	1	55	0.0	-80.34	401.98	5.15	-75.19
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC[C@]3(C)C(=O)[O-])C2)CC1	REAL300012598501	0	54	0.0	-76.93	391.48	6.72	-70.21
CN1CCC([N@H+]2CCC(NC(=O)N3CCC[C@]3(C)C(=O)[O-])C2)CC1	REAL300012598501	1	54	0.0	-78.10	391.79	6.73	-71.37
C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@]3(C)C(=O)[O-])C2)CC1	REAL300012598501	1	54	0.0	-86.34	391.19	6.69	-79.65
CC(C)[C@H](NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598502	0	53	0.0	-70.65	390.70	4.87	-65.78
CC(C)[C@H](NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598502	1	53	0.0	-72.27	392.40	4.84	-67.43
CC(C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598502	1	53	0.0	-78.43	388.92	4.72	-73.71
CN1CCC([N@@H+]2CCC(NC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598503	0	54	0.0	-72.69	411.73	6.33	-66.36
CN1CCC([N@H+]2CCC(NC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598503	1	54	0.0	-72.10	411.45	6.38	-65.72
C[NH+]1CCC(N2CCC(NC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300012598503	1	54	0.0	-81.09	410.27	6.28	-74.81
CN1CCC([N@@H+]2CCC(NC(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])C2)CC1	REAL300012598504	0	57	0.0	-74.00	421.12	5.67	-68.33
CN1CCC([N@H+]2CCC(NC(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])C2)CC1	REAL300012598504	1	57	0.0	-74.58	421.00	5.68	-68.90
C[NH+]1CCC(N2CCC(NC(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])C2)CC1	REAL300012598504	1	57	0.0	-83.46	420.94	5.64	-77.82
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598505	0	50	0.0	-67.96	366.61	5.33	-62.63
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598505	1	50	0.0	-68.29	366.41	5.33	-62.96
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598505	1	50	0.0	-72.96	365.42	5.32	-67.64
CCC[C@H](NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598506	0	53	0.0	-71.56	397.08	5.03	-66.53
CCC[C@H](NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598506	1	53	0.0	-71.87	397.42	5.04	-66.83
CCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598506	1	53	0.0	-78.96	395.41	4.96	-74.00
CCN(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(C)C(=O)[O-]	REAL300012598507	0	53	0.0	-68.31	382.78	6.00	-62.31
CCN(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(C)C(=O)[O-]	REAL300012598507	1	53	0.0	-69.02	383.07	6.11	-62.91
CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(C)C(=O)[O-]	REAL300012598507	1	53	0.0	-73.13	375.74	5.69	-67.44
CN1CCC([N@@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CCCC3)C2)CC1	REAL300012598508	0	57	0.0	-54.67	409.49	7.63	-47.04
CN1CCC([N@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CCCC3)C2)CC1	REAL300012598508	1	57	0.0	-55.36	408.75	7.51	-47.85
C[NH+]1CCC(N2CCC(NC(=O)N(CC(=O)[O-])C3CCCC3)C2)CC1	REAL300012598508	1	57	0.0	-67.67	410.56	7.72	-59.95
CC(CN(C)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598509	0	53	0.0	-73.86	386.82	5.76	-68.10
CC(CN(C)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598509	1	53	0.0	-78.30	388.21	6.04	-72.26
CC(CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598509	1	53	0.0	-77.90	380.82	5.72	-72.18
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598510	0	56	0.0	-73.05	406.60	5.23	-67.82
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598510	1	56	0.0	-72.74	406.59	5.24	-67.50
CC[C@H](C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598510	1	56	0.0	-79.57	406.76	5.21	-74.36
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598511	0	53	0.0	-68.89	385.97	6.41	-62.48
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598511	1	53	0.0	-68.77	386.36	6.30	-62.47
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598511	1	53	0.0	-73.12	386.95	6.45	-66.67
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC(CO)C3)C2)CC1	REAL300012598512	0	55	0.0	-76.21	409.04	2.29	-73.92
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC(CO)C3)C2)CC1	REAL300012598512	1	55	0.0	-80.98	406.88	2.14	-78.84
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CC(CO)C3)C2)CC1	REAL300012598512	1	55	0.0	-85.43	409.37	2.20	-83.23
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598513	0	63	0.0	-73.63	459.06	5.57	-68.06
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598513	1	63	0.0	-72.43	455.80	5.46	-66.97
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598513	1	63	0.0	-80.67	458.65	5.49	-75.18
CC1CCC(NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)(C(=O)[O-])C1	REAL300012598514	0	57	0.0	-74.80	411.73	5.99	-68.81
CC1CCC(NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)(C(=O)[O-])C1	REAL300012598514	1	57	0.0	-73.96	410.62	5.83	-68.13
CC1CCC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)(C(=O)[O-])C1	REAL300012598514	1	57	0.0	-84.44	410.51	5.99	-78.45
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC3(C)C)C2)CC1	REAL300012598515	0	60	0.0	-75.48	420.76	6.72	-68.76
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC3(C)C)C2)CC1	REAL300012598515	1	60	0.0	-75.95	419.35	6.61	-69.34
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCC3(C)C)C2)CC1	REAL300012598515	1	60	0.0	-84.69	421.49	6.67	-78.02
COCCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598516	0	54	0.0	-72.51	409.04	3.33	-69.18
COCCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598516	1	54	0.0	-72.44	409.06	3.34	-69.10
COCCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598516	1	54	0.0	-71.45	401.38	3.04	-68.41
CN(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012598517	0	60	0.0	-71.13	442.52	9.21	-61.92
CN(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012598517	1	60	0.0	-73.25	444.36	9.24	-64.01
CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012598517	1	60	0.0	-78.18	443.54	9.33	-68.85
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C2)CC1	REAL300012598518	0	57	0.0	-76.31	412.95	6.65	-69.66
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C2)CC1	REAL300012598518	1	57	0.0	-76.88	412.60	6.68	-70.20
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C2)CC1	REAL300012598518	1	57	0.0	-85.80	412.69	6.59	-79.21
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3(C)CC3)C2)CC1	REAL300012598519	0	54	0.0	-72.88	401.90	5.24	-67.64
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3(C)CC3)C2)CC1	REAL300012598519	1	54	0.0	-73.31	401.36	5.24	-68.07
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3(C)CC3)C2)CC1	REAL300012598519	1	54	0.0	-79.42	404.24	5.38	-74.04
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598520	0	63	0.0	-72.55	459.38	5.54	-67.01
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598520	1	63	0.0	-73.19	459.72	5.55	-67.64
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598520	1	63	0.0	-82.31	458.67	5.48	-76.83
CN1CCC([N@@H+]2CCC(NC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C2)CC1	REAL300012598521	0	52	0.0	-83.94	386.35	2.63	-81.31
CN1CCC([N@H+]2CCC(NC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C2)CC1	REAL300012598521	1	52	0.0	-82.91	383.90	2.51	-80.40
C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C2)CC1	REAL300012598521	1	52	0.0	-91.67	383.67	2.60	-89.07
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCOC3)C2)CC1	REAL300012598522	0	55	0.0	-70.38	407.33	3.47	-66.91
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCOC3)C2)CC1	REAL300012598522	1	55	0.0	-69.33	408.95	3.52	-65.81
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCOC3)C2)CC1	REAL300012598522	1	55	0.0	-75.50	405.62	3.28	-72.22
CN1CCC([N@@H+]2CCC(NC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C2)CC1	REAL300012598523	0	55	0.0	-82.23	396.14	7.29	-74.94
CN1CCC([N@H+]2CCC(NC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C2)CC1	REAL300012598523	1	55	0.0	-82.25	396.39	7.32	-74.93
C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C2)CC1	REAL300012598523	1	55	0.0	-90.38	396.17	7.21	-83.17
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CNC4=CC=CC=C34)C2)CC1	REAL300012598524	0	58	0.0	-79.70	443.42	6.48	-73.22
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3=CNC4=CC=CC=C34)C2)CC1	REAL300012598524	1	58	0.0	-80.48	443.68	6.41	-74.07
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3=CNC4=CC=CC=C34)C2)CC1	REAL300012598524	1	58	0.0	-88.11	443.84	6.42	-81.69
CN1CCC([N@@H+]2CCC(NC(=O)N3CC4CC3(C(=O)[O-])CO4)C2)CC1	REAL300012598525	0	53	0.0	-78.67	388.96	5.00	-73.67
CN1CCC([N@H+]2CCC(NC(=O)N3CC4CC3(C(=O)[O-])CO4)C2)CC1	REAL300012598525	1	53	0.0	-79.35	388.36	5.05	-74.30
C[NH+]1CCC(N2CCC(NC(=O)N3CC4CC3(C(=O)[O-])CO4)C2)CC1	REAL300012598525	1	53	0.0	-87.98	387.56	4.98	-83.00
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C1	REAL300012598526	0	57	0.0	-82.57	402.20	8.34	-74.23
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C1	REAL300012598526	1	57	0.0	-80.85	401.12	8.08	-72.77
CC1CCC(C(=O)[O-])N(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C1	REAL300012598526	1	57	0.0	-90.89	400.97	7.97	-82.92
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598527	0	60	0.0	-72.73	441.69	7.31	-65.42
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598527	1	60	0.0	-71.15	448.93	7.64	-63.51
CC(C1=CC=CC=C1)C(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598527	1	60	0.0	-81.04	449.77	7.62	-73.42
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])C2)CC1	REAL300012598528	0	61	0.0	-72.14	448.04	7.40	-64.74
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])C2)CC1	REAL300012598528	1	61	0.0	-70.34	443.07	8.09	-62.25
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])C2)CC1	REAL300012598528	1	61	0.0	-80.74	448.67	7.34	-73.40
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)C2)CC1	REAL300012598529	0	54	0.0	-72.43	402.33	5.32	-67.11
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)C2)CC1	REAL300012598529	1	54	0.0	-72.76	402.82	5.32	-67.44
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)C2)CC1	REAL300012598529	1	54	0.0	-80.30	400.33	5.19	-75.11
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCCC3)C2)CC1	REAL300012598530	0	60	0.0	-73.05	434.25	6.72	-66.33
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCCC3)C2)CC1	REAL300012598530	1	60	0.0	-74.16	429.15	6.48	-67.68
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCCCC3)C2)CC1	REAL300012598530	1	60	0.0	-79.90	430.42	6.60	-73.30
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)C2)CC1	REAL300012598531	0	54	0.0	-72.43	402.33	5.32	-67.11
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)C2)CC1	REAL300012598531	1	54	0.0	-72.76	402.82	5.32	-67.44
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)C2)CC1	REAL300012598531	1	54	0.0	-80.30	400.33	5.19	-75.11
CC1CCN(C(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C1C(=O)[O-]	REAL300012598532	0	54	0.0	-78.07	390.65	6.38	-71.69
CC1CCN(C(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C1C(=O)[O-]	REAL300012598532	1	54	0.0	-79.33	395.48	6.44	-72.89
CC1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C1C(=O)[O-]	REAL300012598532	1	54	0.0	-88.36	396.88	6.25	-82.11
C=CCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598533	0	51	0.0	-71.57	388.68	4.72	-66.85
C=CCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598533	1	51	0.0	-70.46	387.87	4.73	-65.73
C=CCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598533	1	51	0.0	-76.99	381.58	4.48	-72.51
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3CCCCO3)C(=O)[O-])C2)CC1	REAL300012598534	0	61	0.0	-75.46	449.79	5.45	-70.01
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3CCCCO3)C(=O)[O-])C2)CC1	REAL300012598534	1	61	0.0	-70.14	447.31	6.04	-64.10
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3CCCCO3)C(=O)[O-])C2)CC1	REAL300012598534	1	61	0.0	-78.73	447.99	6.00	-72.73
CN1CCC([N@@H+]2CCC(NC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)C2)CC1	REAL300012598535	0	61	0.0	-47.89	420.96	7.98	-39.91
CN1CCC([N@H+]2CCC(NC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)C2)CC1	REAL300012598535	1	61	0.0	-50.69	420.20	7.83	-42.86
C[NH+]1CCC(N2CCC(NC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)C2)CC1	REAL300012598535	1	61	0.0	-65.18	421.26	7.93	-57.25
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)C2)CC1	REAL300012598536	0	61	0.0	-75.28	425.63	5.29	-69.99
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)C2)CC1	REAL300012598536	1	61	0.0	-75.64	425.37	5.27	-70.37
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)C2)CC1	REAL300012598536	1	61	0.0	-81.78	425.27	5.24	-76.54
CN1CCC([N@@H+]2CCC(NC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C2)CC1	REAL300012598537	0	55	0.0	-51.71	395.69	7.10	-44.61
CN1CCC([N@H+]2CCC(NC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C2)CC1	REAL300012598537	1	55	0.0	-53.21	396.04	7.08	-46.13
C[NH+]1CCC(N2CCC(NC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C2)CC1	REAL300012598537	1	55	0.0	-64.31	397.21	7.18	-57.13
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])C2)CC1	REAL300012598538	0	61	0.0	-72.14	448.04	7.40	-64.74
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])C2)CC1	REAL300012598538	1	61	0.0	-70.34	443.07	8.09	-62.25
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])C2)CC1	REAL300012598538	1	61	0.0	-80.74	448.67	7.34	-73.40
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])C2)CC1	REAL300012598539	0	57	0.0	-68.30	440.48	7.38	-60.92
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])C2)CC1	REAL300012598539	1	57	0.0	-74.63	439.34	7.37	-67.26
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])C2)CC1	REAL300012598539	1	57	0.0	-77.50	438.57	7.28	-70.22
COC1CC(NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)(C(=O)[O-])C1	REAL300012598540	0	55	0.0	-78.61	409.96	3.93	-74.68
COC1CC(NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)(C(=O)[O-])C1	REAL300012598540	1	55	0.0	-71.33	408.43	3.84	-67.49
COC1CC(NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)(C(=O)[O-])C1	REAL300012598540	1	55	0.0	-86.97	409.85	3.86	-83.11
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C2)CC1	REAL300012598541	0	51	0.0	-74.25	385.16	5.00	-69.25
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C2)CC1	REAL300012598541	1	51	0.0	-74.69	385.11	4.99	-69.70
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C2)CC1	REAL300012598541	1	51	0.0	-82.33	385.18	4.91	-77.42
CO[C@H]1C[C@](NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)(C(=O)[O-])C1	REAL300012598542	0	55	0.0	-73.01	408.31	4.23	-68.78
CO[C@H]1C[C@](NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)(C(=O)[O-])C1	REAL300012598542	1	55	0.0	-72.10	408.97	4.23	-67.87
CO[C@H]1C[C@](NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)(C(=O)[O-])C1	REAL300012598542	1	55	0.0	-84.05	408.43	4.16	-79.89
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)C2)CC1	REAL300012598543	0	54	0.0	-66.59	416.97	5.63	-60.96
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)C2)CC1	REAL300012598543	1	54	0.0	-67.28	417.68	5.53	-61.75
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)C2)CC1	REAL300012598543	1	54	0.0	-76.57	416.75	5.74	-70.83
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598544	0	57	0.0	-78.07	404.96	7.63	-70.44
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598544	1	57	0.0	-78.46	407.11	7.79	-70.67
CCC1(C(=O)[O-])CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598544	1	57	0.0	-89.78	408.01	7.93	-81.85
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C2)CC1	REAL300012598545	0	50	0.0	-65.91	391.51	4.95	-60.96
CN1CCC([N@H+]2CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C2)CC1	REAL300012598545	1	50	0.0	-65.46	390.50	5.00	-60.46
C[NH+]1CCC(N2CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C2)CC1	REAL300012598545	1	50	0.0	-71.17	384.23	4.73	-66.44
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3CCOC3)C(=O)[O-])C2)CC1	REAL300012598546	0	58	0.0	-69.84	425.25	4.94	-64.90
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3CCOC3)C(=O)[O-])C2)CC1	REAL300012598546	1	58	0.0	-70.05	425.96	4.87	-65.18
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3CCOC3)C(=O)[O-])C2)CC1	REAL300012598546	1	58	0.0	-77.00	427.16	3.96	-73.04
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])COC3)C2)CC1	REAL300012598547	0	49	0.0	-70.14	367.34	2.00	-68.14
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])COC3)C2)CC1	REAL300012598547	1	49	0.0	-70.38	367.12	2.02	-68.36
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])COC3)C2)CC1	REAL300012598547	1	49	0.0	-79.24	367.11	1.94	-77.30
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3=CC=CS3)C(=O)[O-])C2)CC1	REAL300012598548	0	54	0.0	-70.39	425.71	6.34	-64.05
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3=CC=CS3)C(=O)[O-])C2)CC1	REAL300012598548	1	54	0.0	-71.55	426.50	6.29	-65.26
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3=CC=CS3)C(=O)[O-])C2)CC1	REAL300012598548	1	54	0.0	-78.71	425.67	6.31	-72.40
CC(C)C(C)(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598549	0	56	0.0	-71.77	396.23	5.32	-66.45
CC(C)C(C)(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598549	1	56	0.0	-71.71	394.46	5.26	-66.45
CC(C)C(C)(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598549	1	56	0.0	-72.38	387.60	4.94	-67.44
CN1CCC([N@@H+]2CCC(NC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C2)CC1	REAL300012598550	0	52	0.0	-80.18	380.48	7.33	-72.85
CN1CCC([N@H+]2CCC(NC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C2)CC1	REAL300012598550	1	52	0.0	-80.95	380.16	7.32	-73.63
C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C2)CC1	REAL300012598550	1	52	0.0	-91.30	381.42	7.28	-84.02
CN1CCC([N@@H+]2CCC(NC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C2)CC1	REAL300012598551	0	55	0.0	-80.00	397.47	6.77	-73.23
CN1CCC([N@H+]2CCC(NC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C2)CC1	REAL300012598551	1	55	0.0	-79.21	396.33	6.67	-72.54
C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C2)CC1	REAL300012598551	1	55	0.0	-89.10	398.38	6.91	-82.19
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598552	0	60	0.0	-75.17	442.06	10.03	-65.14
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598552	1	60	0.0	-76.99	441.40	9.96	-67.03
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598552	1	60	0.0	-61.74	442.31	9.98	-51.76
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3CCCCC3)C(=O)[O-])C2)CC1	REAL300012598553	0	63	0.0	-72.88	455.69	7.46	-65.42
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3CCCCC3)C(=O)[O-])C2)CC1	REAL300012598553	1	63	0.0	-72.76	455.73	7.50	-65.26
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3CCCCC3)C(=O)[O-])C2)CC1	REAL300012598553	1	63	0.0	-80.34	454.84	7.47	-72.87
CN1CCC([N@@H+]2CCC(NC(=O)N[C@@H](CCC3=CC=CC=C3)C(=O)[O-])C2)CC1	REAL300012598554	0	60	0.0	-72.22	456.75	8.11	-64.11
CN1CCC([N@H+]2CCC(NC(=O)N[C@@H](CCC3=CC=CC=C3)C(=O)[O-])C2)CC1	REAL300012598554	1	60	0.0	-72.29	455.94	8.08	-64.21
C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CCC3=CC=CC=C3)C(=O)[O-])C2)CC1	REAL300012598554	1	60	0.0	-80.10	455.31	7.98	-72.12
CN1CCC([N@@H+]2CCC(NC(=O)N[C@H](CCC3=CC=CC=C3)C(=O)[O-])C2)CC1	REAL300012598555	0	60	0.0	-72.15	456.75	8.11	-64.04
CN1CCC([N@H+]2CCC(NC(=O)N[C@H](CCC3=CC=CC=C3)C(=O)[O-])C2)CC1	REAL300012598555	1	60	0.0	-72.79	456.53	8.12	-64.67
C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CCC3=CC=CC=C3)C(=O)[O-])C2)CC1	REAL300012598555	1	60	0.0	-80.76	456.15	7.98	-72.78
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CC4CCC3C4)C2)CC1	REAL300012598556	0	61	0.0	-72.54	436.46	7.06	-65.48
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CC4CCC3C4)C2)CC1	REAL300012598556	1	61	0.0	-74.03	434.65	6.89	-67.14
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3CC4CCC3C4)C2)CC1	REAL300012598556	1	61	0.0	-79.57	436.79	7.02	-72.55
CN1CCC([N@@H+]2CCC(NC(=O)N[C@H](CC3CCCCC3)C(=O)[O-])C2)CC1	REAL300012598557	0	63	0.0	-71.73	455.71	7.54	-64.19
CN1CCC([N@H+]2CCC(NC(=O)N[C@H](CC3CCCCC3)C(=O)[O-])C2)CC1	REAL300012598557	1	63	0.0	-72.84	455.75	7.48	-65.36
C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CC3CCCCC3)C(=O)[O-])C2)CC1	REAL300012598557	1	63	0.0	-80.06	455.33	7.55	-72.51
CN1CCC([N@@H+]2CCC(NC(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])C2)CC1	REAL300012598558	0	63	0.0	-71.75	455.71	7.54	-64.21
CN1CCC([N@H+]2CCC(NC(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])C2)CC1	REAL300012598558	1	63	0.0	-72.03	455.45	7.53	-64.50
C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])C2)CC1	REAL300012598558	1	63	0.0	-78.53	455.71	7.45	-71.08
CN1CCC([N@@H+]2CCC(NC(=O)N3CC4(CCCC4)CC3C(=O)[O-])C2)CC1	REAL300012598559	0	61	0.0	-50.35	435.97	8.13	-42.22
CN1CCC([N@H+]2CCC(NC(=O)N3CC4(CCCC4)CC3C(=O)[O-])C2)CC1	REAL300012598559	1	61	0.0	-50.09	435.84	8.15	-41.94
C[NH+]1CCC(N2CCC(NC(=O)N3CC4(CCCC4)CC3C(=O)[O-])C2)CC1	REAL300012598559	1	61	0.0	-65.47	436.04	8.05	-57.42
CN1CCC([N@@H+]2CCC(NC(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])C2)CC1	REAL300012598560	0	61	0.0	-79.84	432.52	7.98	-71.86
CN1CCC([N@H+]2CCC(NC(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])C2)CC1	REAL300012598560	1	61	0.0	-79.27	430.58	7.83	-71.44
C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])C2)CC1	REAL300012598560	1	61	0.0	-86.87	431.99	7.93	-78.94
C=CCSCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598561	0	55	0.0	-69.22	433.34	6.07	-63.15
C=CCSCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598561	1	55	0.0	-69.36	433.37	6.07	-63.29
C=CCSCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598561	1	55	0.0	-75.17	426.52	5.77	-69.40
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3=CC=C(C#N)C=C3)C(=O)[O-])C2)CC1	REAL300012598562	0	58	0.0	-72.07	454.60	7.73	-64.34
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3=CC=C(C#N)C=C3)C(=O)[O-])C2)CC1	REAL300012598562	1	58	0.0	-73.04	454.63	7.68	-65.36
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3=CC=C(C#N)C=C3)C(=O)[O-])C2)CC1	REAL300012598562	1	58	0.0	-79.78	452.98	7.61	-72.17
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598563	0	56	0.0	-69.28	400.44	7.13	-62.15
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598563	1	56	0.0	-73.48	402.18	7.70	-65.78
CCC(C(=O)[O-])N(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598563	1	56	0.0	-74.15	393.25	6.76	-67.39
COC1(C(NC(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)[O-])CCC1	REAL300012598564	0	58	0.0	-75.04	424.08	4.15	-70.89
COC1(C(NC(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C(=O)[O-])CCC1	REAL300012598564	1	58	0.0	-75.80	423.67	4.19	-71.61
COC1(C(NC(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C(=O)[O-])CCC1	REAL300012598564	1	58	0.0	-83.74	423.21	3.97	-79.77
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC(C(F)F)C3)C2)CC1	REAL300012598565	0	54	0.0	-79.12	408.62	5.85	-73.27
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC(C(F)F)C3)C2)CC1	REAL300012598565	1	54	0.0	-71.39	406.47	5.71	-65.68
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CN1CCC([N@@H+]2CCC(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C2)CC1	REAL300012598567	0	51	0.0	-76.16	381.33	5.87	-70.29
CN1CCC([N@H+]2CCC(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C2)CC1	REAL300012598567	1	51	0.0	-74.81	380.50	5.74	-69.07
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CN1CCC([N@@H+]2CCC(NC(=O)N3C4C=CC(C4)C3C(=O)[O-])C2)CC1	REAL300012598568	0	53	0.0	-51.09	390.05	7.02	-44.07
CN1CCC([N@H+]2CCC(NC(=O)N3C4C=CC(C4)C3C(=O)[O-])C2)CC1	REAL300012598568	1	53	0.0	-49.09	390.76	6.99	-42.10
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CN1CCC([N@@H+]2CCC(NC(=O)N3CCC(C)(C)C3C(=O)[O-])C2)CC1	REAL300012598569	0	57	0.0	-80.42	411.95	6.72	-73.70
CN1CCC([N@H+]2CCC(NC(=O)N3CCC(C)(C)C3C(=O)[O-])C2)CC1	REAL300012598569	1	57	0.0	-79.66	410.31	6.84	-72.82
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CN1CCC([N@@H+]2CCC(NC(=O)N3CC4(CCC4)CCC3C(=O)[O-])C2)CC1	REAL300012598570	0	61	0.0	-79.73	429.16	8.84	-70.89
CN1CCC([N@H+]2CCC(NC(=O)N3CC4(CCC4)CCC3C(=O)[O-])C2)CC1	REAL300012598570	1	61	0.0	-80.16	431.57	9.12	-71.04
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CC(C)CCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598571	0	59	0.0	-71.46	435.09	6.35	-65.11
CC(C)CCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598571	1	59	0.0	-72.29	435.95	6.34	-65.95
CC(C)CCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598571	1	59	0.0	-72.22	429.10	6.02	-66.20
CN1CCC([N@@H+]2CCC(NC(=O)N3CC4(CCC4)CC3C(=O)[O-])C2)CC1	REAL300012598572	0	58	0.0	-51.23	419.60	7.53	-43.70
CN1CCC([N@H+]2CCC(NC(=O)N3CC4(CCC4)CC3C(=O)[O-])C2)CC1	REAL300012598572	1	58	0.0	-50.72	421.86	7.62	-43.10
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CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3CCOC3)C(=O)[O-])C2)CC1	REAL300012598573	0	58	0.0	-69.84	425.25	4.94	-64.90
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3CCOC3)C(=O)[O-])C2)CC1	REAL300012598573	1	58	0.0	-70.05	425.96	4.87	-65.18
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3CCOC3)C(=O)[O-])C2)CC1	REAL300012598573	1	58	0.0	-77.00	427.16	3.96	-73.04
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C1	REAL300012598574	0	55	0.0	-76.18	417.14	7.32	-68.86
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C1	REAL300012598574	1	55	0.0	-74.58	416.09	7.22	-67.36
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C1	REAL300012598574	1	55	0.0	-82.60	418.41	7.14	-75.46
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC4CC43)C2)CC1	REAL300012598575	0	58	0.0	-76.57	410.91	7.11	-69.46
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC4CC43)C2)CC1	REAL300012598575	1	58	0.0	-74.36	413.47	6.85	-67.51
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCC4CC43)C2)CC1	REAL300012598575	1	58	0.0	-87.20	411.33	7.05	-80.15
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCC4CC43)C2)CC1	REAL300012598576	0	55	0.0	-76.84	397.58	6.25	-70.59
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCC4CC43)C2)CC1	REAL300012598576	1	55	0.0	-73.79	398.30	5.83	-67.96
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CCC4CC43)C2)CC1	REAL300012598576	1	55	0.0	-86.20	397.24	6.12	-80.08
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C2)CC1	REAL300012598577	0	58	0.0	-74.20	419.33	6.59	-67.61
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C2)CC1	REAL300012598577	1	58	0.0	-73.92	418.08	6.46	-67.46
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C2)CC1	REAL300012598577	1	58	0.0	-84.39	418.85	6.53	-77.86
CN(C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012598578	0	60	0.0	-70.93	441.46	9.06	-61.87
CN(C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012598578	1	60	0.0	-73.12	444.42	9.24	-63.88
CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012598578	1	60	0.0	-77.42	441.74	9.11	-68.31
CN1CCC([N@@H+]2CCC(NC(=O)N3CC4(CC3C(=O)[O-])CCCCC4)C2)CC1	REAL300012598579	0	64	0.0	-48.95	450.76	8.62	-40.33
CN1CCC([N@H+]2CCC(NC(=O)N3CC4(CC3C(=O)[O-])CCCCC4)C2)CC1	REAL300012598579	1	64	0.0	-50.73	451.03	8.59	-42.14
C[NH+]1CCC(N2CCC(NC(=O)N3CC4(CC3C(=O)[O-])CCCCC4)C2)CC1	REAL300012598579	1	64	0.0	-64.51	451.07	8.50	-56.01
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCC3)C2)CC1	REAL300012598580	0	57	0.0	-71.13	414.80	5.90	-65.23
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCC3)C2)CC1	REAL300012598580	1	57	0.0	-73.27	411.68	5.80	-67.47
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCCC3)C2)CC1	REAL300012598580	1	57	0.0	-81.44	416.02	5.87	-75.57
CO[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598581	0	54	0.0	-72.57	404.88	3.51	-69.06
CO[C@H](C)[C@H](NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598581	1	54	0.0	-72.89	405.37	3.51	-69.38
CO[C@H](C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598581	1	54	0.0	-78.85	405.20	3.55	-75.30
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598582	0	54	0.0	-73.04	389.79	5.53	-67.51
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598582	1	54	0.0	-76.74	394.42	5.82	-70.92
CC1[C@@H](C)[C@@]1(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598582	1	54	0.0	-84.76	391.82	5.56	-79.20
CN1CCC([N@@H+]2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C2)CC1	REAL300012598583	0	57	0.0	-56.28	432.50	9.08	-47.20
CN1CCC([N@H+]2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C2)CC1	REAL300012598583	1	57	0.0	-56.06	432.33	9.08	-46.98
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CN1CCC([N@@H+]2CCC(NC(=O)N3CC(C)(C)CC3C(=O)[O-])C2)CC1	REAL300012598584	0	57	0.0	-51.65	414.95	6.91	-44.74
CN1CCC([N@H+]2CCC(NC(=O)N3CC(C)(C)CC3C(=O)[O-])C2)CC1	REAL300012598584	1	57	0.0	-51.90	413.99	6.79	-45.11
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CN1CCC([N@@H+]2CCC(NC(=O)N3CCC(F)(F)CC3C(=O)[O-])C2)CC1	REAL300012598585	0	54	0.0	-79.30	397.09	7.49	-71.81
CN1CCC([N@H+]2CCC(NC(=O)N3CCC(F)(F)CC3C(=O)[O-])C2)CC1	REAL300012598585	1	54	0.0	-78.91	396.28	7.31	-71.60
C[NH+]1CCC(N2CCC(NC(=O)N3CCC(F)(F)CC3C(=O)[O-])C2)CC1	REAL300012598585	1	54	0.0	-87.70	395.87	7.21	-80.49
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC(F)(F)C3C(=O)[O-])C2)CC1	REAL300012598586	0	51	0.0	-82.88	387.35	5.95	-76.93
CN1CCC([N@H+]2CCC(NC(=O)N3CCC(F)(F)C3C(=O)[O-])C2)CC1	REAL300012598586	1	51	0.0	-79.06	385.55	6.11	-72.95
C[NH+]1CCC(N2CCC(NC(=O)N3CCC(F)(F)C3C(=O)[O-])C2)CC1	REAL300012598586	1	51	0.0	-89.89	387.43	5.83	-84.06
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])C2)CC1	REAL300012598587	0	57	0.0	-68.30	440.48	7.38	-60.92
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])C2)CC1	REAL300012598587	1	57	0.0	-74.63	439.34	7.37	-67.26
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])C2)CC1	REAL300012598587	1	57	0.0	-77.50	438.57	7.28	-70.22
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3=CSC=C3)C(=O)[O-])C2)CC1	REAL300012598588	0	54	0.0	-72.83	424.60	6.19	-66.64
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3=CSC=C3)C(=O)[O-])C2)CC1	REAL300012598588	1	54	0.0	-71.18	423.82	6.24	-64.94
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3=CSC=C3)C(=O)[O-])C2)CC1	REAL300012598588	1	54	0.0	-77.74	417.62	5.94	-71.80
CN1CCC([N@@H+]2CCC(NC(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C2)CC1	REAL300012598589	0	54	0.0	-76.32	403.61	6.94	-69.38
CN1CCC([N@H+]2CCC(NC(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C2)CC1	REAL300012598589	1	54	0.0	-71.28	403.43	6.85	-64.43
C[NH+]1CCC(N2CCC(NC(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C2)CC1	REAL300012598589	1	54	0.0	-78.70	402.68	6.75	-71.95
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC3=CSC=C3)C(=O)[O-])C2)CC1	REAL300012598590	0	54	0.0	-72.83	424.60	6.19	-66.64
CN1CCC([N@H+]2CCC(NC(=O)NC(CC3=CSC=C3)C(=O)[O-])C2)CC1	REAL300012598590	1	54	0.0	-71.18	423.82	6.24	-64.94
C[NH+]1CCC(N2CCC(NC(=O)NC(CC3=CSC=C3)C(=O)[O-])C2)CC1	REAL300012598590	1	54	0.0	-77.74	417.62	5.94	-71.80
CN1CCC([N@@H+]2CCC(NC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C2)CC1	REAL300012598591	0	58	0.0	-80.49	411.82	7.26	-73.23
CN1CCC([N@H+]2CCC(NC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C2)CC1	REAL300012598591	1	58	0.0	-80.72	412.66	7.53	-73.19
C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C2)CC1	REAL300012598591	1	58	0.0	-88.51	411.92	7.19	-81.32
COCCCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598592	0	57	0.0	-70.52	429.70	4.13	-66.39
COCCCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598592	1	57	0.0	-70.77	430.32	4.18	-66.59
COCCCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598592	1	57	0.0	-72.09	423.71	3.79	-68.30
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598593	0	56	0.0	-69.05	407.48	7.18	-61.87
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598593	1	56	0.0	-69.63	407.29	7.12	-62.51
CCCC(C(=O)[O-])N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598593	1	56	0.0	-69.60	400.46	6.71	-62.89
CCOCC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598594	0	54	0.0	-73.21	409.30	3.48	-69.73
CCOCC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300012598594	1	54	0.0	-73.44	408.97	3.54	-69.90
CCOCC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300012598594	1	54	0.0	-79.67	402.12	3.22	-76.45
CN1CCC([N@@H+]2CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C2)CC1	REAL300012598595	0	59	0.0	-72.02	425.34	6.68	-65.34
CN1CCC([N@H+]2CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C2)CC1	REAL300012598595	1	59	0.0	-72.48	426.24	6.66	-65.82
C[NH+]1CCC(N2CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C2)CC1	REAL300012598595	1	59	0.0	-78.04	419.13	6.41	-71.63
CN1CCC([N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCCO3)C2)CC1	REAL300012598596	0	58	0.0	-74.14	427.39	4.79	-69.35
CN1CCC([N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCCCO3)C2)CC1	REAL300012598596	1	58	0.0	-75.30	425.86	4.42	-70.88
C[NH+]1CCC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCCCO3)C2)CC1	REAL300012598596	1	58	0.0	-80.80	426.57	4.80	-76.00
CN1CCC([N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)C2)CC1	REAL300012598597	0	58	0.0	-73.26	429.68	7.52	-65.74
CN1CCC([N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)C2)CC1	REAL300012598597	1	58	0.0	-74.36	431.32	7.64	-66.72
C[NH+]1CCC(N2CCC(NC(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)C2)CC1	REAL300012598597	1	58	0.0	-84.25	430.84	7.57	-76.68
C[C@H]1OCCN(C(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)[C@@H]1C(=O)[O-]	REAL300012598598	0	55	0.0	-78.54	395.99	5.60	-72.94
C[C@H]1OCCN(C(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)[C@@H]1C(=O)[O-]	REAL300012598598	1	55	0.0	-79.96	396.81	5.74	-74.22
C[C@H]1OCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1C(=O)[O-]	REAL300012598598	1	55	0.0	-87.24	396.45	5.39	-81.85
CN1CCC([N@@H+]2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CO3)C2)CC1	REAL300012598600	0	54	0.0	-56.62	414.17	7.22	-49.40
CN1CCC([N@H+]2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CO3)C2)CC1	REAL300012598600	1	54	0.0	-58.19	408.39	6.98	-51.21
C[NH+]1CCC(N2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CO3)C2)CC1	REAL300012598600	1	54	0.0	-68.55	414.58	7.16	-61.39
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300012598601	0	50	0.0	-67.92	366.10	5.22	-62.70
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300012598601	1	50	0.0	-68.55	366.44	5.23	-63.32
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300012598601	1	50	0.0	-74.13	365.26	5.13	-69.00
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C1	REAL300012598602	0	58	0.0	-78.23	429.13	6.13	-72.10
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C1	REAL300012598602	1	58	0.0	-73.25	427.35	6.08	-67.17
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C1	REAL300012598602	1	58	0.0	-85.57	429.26	6.13	-79.44
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC2(C)C)CC1	REAL300012598671	0	53	0.0	-58.51	397.62	6.86	-51.65
CCC1CCCC[N@@H+]1CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012598731	0	53	0.0	-67.47	382.62	7.12	-60.35
CCC1CCCC[N@H+]1CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012598731	1	53	0.0	-66.96	389.22	7.49	-59.47
C=CCOCC(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598732	0	52	0.0	-69.73	391.36	5.60	-64.13
C=CCOCC(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598732	1	52	0.0	-68.77	397.82	5.97	-62.80
C=CC(C)C(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598733	0	51	0.0	-65.83	374.77	6.98	-58.85
C=CC(C)C(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598733	1	51	0.0	-68.63	377.56	7.00	-61.63
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012598734	0	55	0.0	-67.52	392.82	5.88	-61.64
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012598734	1	55	0.0	-70.63	395.83	5.92	-64.71
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012598735	0	51	0.0	-63.40	393.39	8.08	-55.32
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012598735	1	51	0.0	-63.02	400.22	8.33	-54.69
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012598736	0	51	0.0	-63.70	403.52	8.45	-55.25
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012598736	1	51	0.0	-62.83	410.11	8.78	-54.05
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012598737	0	55	0.0	-76.50	385.15	7.85	-68.65
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012598737	1	55	0.0	-75.72	391.51	8.22	-67.50
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012598738	0	55	0.0	-64.80	388.15	5.80	-59.00
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012598738	1	55	0.0	-66.21	395.88	5.94	-60.27
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012598739	0	54	0.0	-76.42	369.10	9.30	-67.12
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012598739	1	54	0.0	-74.71	381.72	9.69	-65.02
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012598740	0	54	0.0	-65.74	407.38	8.66	-57.08
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012598740	1	54	0.0	-65.28	414.20	8.89	-56.39
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012598741	0	56	0.0	-68.61	416.19	7.75	-60.86
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012598741	1	56	0.0	-67.40	423.16	8.12	-59.28
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012598742	0	57	0.0	-68.92	423.49	9.29	-59.63
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012598742	1	57	0.0	-68.51	429.69	9.55	-58.96
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012598743	0	57	0.0	-69.26	419.08	9.16	-60.10
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012598743	1	57	0.0	-68.90	425.93	9.39	-59.51
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012598744	0	55	0.0	-66.23	426.21	7.83	-58.40
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012598744	1	55	0.0	-65.89	433.04	8.07	-57.82
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012598745	0	57	0.0	-67.89	413.17	9.10	-58.79
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012598745	1	57	0.0	-67.48	419.08	9.36	-58.12
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012598746	0	55	0.0	-67.18	416.65	7.25	-59.93
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012598746	1	55	0.0	-65.76	422.99	7.66	-58.10
CCC1CCCC[N@@H+]1CCNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012598747	0	54	0.0	-58.13	376.08	8.67	-49.46
CCC1CCCC[N@H+]1CCNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012598747	1	54	0.0	-57.35	382.75	8.98	-48.37
CCCN(C(=O)NCC[N@@H+]1CCCCC1CC)C(COC)C(=O)[O-]	REAL300012598748	0	57	0.0	-66.36	409.23	8.38	-57.98
CCCN(C(=O)NCC[N@H+]1CCCCC1CC)C(COC)C(=O)[O-]	REAL300012598748	1	57	0.0	-67.39	401.97	7.96	-59.43
CCCN(C(=O)NCC[N@@H+]1CCCCC1CC)C(CC)C(=O)[O-]	REAL300012598749	0	56	0.0	-65.02	397.55	9.66	-55.36
CCCN(C(=O)NCC[N@H+]1CCCCC1CC)C(CC)C(=O)[O-]	REAL300012598749	1	56	0.0	-67.27	390.69	9.32	-57.95
CCC1CCCC[N@@H+]1CCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012598750	0	51	0.0	-74.91	354.52	8.70	-66.21
CCC1CCCC[N@H+]1CCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012598750	1	51	0.0	-74.06	361.00	9.06	-65.00
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012598751	0	51	0.0	-65.09	397.01	8.43	-56.66
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012598751	1	51	0.0	-64.60	403.60	8.75	-55.85
CCC1CCCC[N@@H+]1CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012598752	0	49	0.0	-74.21	354.55	8.82	-65.39
CCC1CCCC[N@H+]1CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012598752	1	49	0.0	-73.99	361.44	9.24	-64.75
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012598753	0	54	0.0	-70.38	374.26	8.03	-62.35
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012598753	1	54	0.0	-69.77	380.85	8.35	-61.42
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012598754	0	51	0.0	-70.36	359.76	6.92	-63.44
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012598754	1	51	0.0	-69.74	366.31	7.27	-62.47
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012598755	0	57	0.0	-71.09	379.90	8.69	-62.40
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012598755	1	57	0.0	-70.46	386.50	9.01	-61.45
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012598756	0	54	0.0	-69.47	403.14	8.83	-60.64
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012598756	1	54	0.0	-68.04	409.52	9.21	-58.83
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012598757	0	54	0.0	-53.03	401.63	10.62	-42.41
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012598757	1	54	0.0	-51.33	402.23	10.65	-40.68
CCC1CCCC[N@@H+]1CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012598758	0	51	0.0	-68.78	380.90	7.88	-60.90
CCC1CCCC[N@H+]1CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012598758	1	51	0.0	-68.14	387.51	8.21	-59.93
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012598759	0	51	0.0	-69.02	380.88	7.89	-61.13
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012598759	1	51	0.0	-67.62	387.27	8.28	-59.34
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012598760	0	54	0.0	-69.47	403.14	8.83	-60.64
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012598760	1	54	0.0	-68.04	409.52	9.21	-58.83
CCC(C)C(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598761	0	53	0.0	-66.85	380.92	7.07	-59.78
CCC(C)C(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598761	1	53	0.0	-67.15	377.86	7.06	-60.09
CCC1CCCC[N@@H+]1CCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012598762	0	51	0.0	-74.91	354.52	8.70	-66.21
CCC1CCCC[N@H+]1CCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012598762	1	51	0.0	-74.06	361.00	9.06	-65.00
CCCC(C)(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598763	0	53	0.0	-65.89	376.97	7.26	-58.63
CCCC(C)(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598763	1	53	0.0	-66.52	370.39	6.93	-59.59
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012598764	0	53	0.0	-53.08	378.59	8.68	-44.40
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012598764	1	53	0.0	-52.94	385.42	9.22	-43.72
CCC1CCCC[N@@H+]1CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012598765	0	55	0.0	-72.22	393.89	10.82	-61.40
CCC1CCCC[N@H+]1CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012598765	1	55	0.0	-76.24	399.55	11.31	-64.93
CCC1CCCC[N@@H+]1CCNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012598766	0	51	0.0	-67.60	358.34	6.94	-60.66
CCC1CCCC[N@H+]1CCNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012598766	1	51	0.0	-67.16	364.92	7.26	-59.90
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012598767	0	48	0.0	-66.54	371.90	6.99	-59.55
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012598767	1	48	0.0	-66.27	378.87	7.35	-58.92
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012598768	0	54	0.0	-70.38	374.26	8.03	-62.35
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012598768	1	54	0.0	-69.77	380.85	8.35	-61.42
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012598769	0	54	0.0	-51.96	417.91	11.24	-40.72
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012598769	1	54	0.0	-51.07	424.99	11.46	-39.61
CCC1CCCC[N@@H+]1CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012598770	0	58	0.0	-68.88	431.72	9.00	-59.88
CCC1CCCC[N@H+]1CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012598770	1	58	0.0	-69.44	438.81	9.20	-60.24
CC[C@H](C)[C@H](NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598771	0	53	0.0	-66.85	380.92	7.07	-59.78
CC[C@H](C)[C@H](NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598771	1	53	0.0	-67.37	374.33	6.74	-60.63
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012598772	0	51	0.0	-70.36	359.76	6.92	-63.44
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012598772	1	51	0.0	-69.74	366.31	7.27	-62.47
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012598773	0	54	0.0	-52.17	407.58	10.79	-41.38
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012598773	1	54	0.0	-51.29	414.67	11.00	-40.29
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012598774	0	55	0.0	-69.16	399.88	9.23	-59.93
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012598774	1	55	0.0	-70.27	407.02	9.50	-60.77
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012598775	0	51	0.0	-67.23	390.46	8.14	-59.09
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012598775	1	51	0.0	-67.80	397.54	8.35	-59.45
CCC1CCCC[N@@H+]1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012598776	0	54	0.0	-68.73	388.70	8.63	-60.10
CCC1CCCC[N@H+]1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012598776	1	54	0.0	-67.95	395.29	8.97	-58.98
CCCCCCC(C)(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598777	0	62	0.0	-66.46	441.47	9.60	-56.86
CCCCCCC(C)(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598777	1	62	0.0	-66.65	434.87	9.27	-57.38
CCC1CCCC[N@@H+]1CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012598778	0	57	0.0	-67.74	412.34	10.91	-56.83
CCC1CCCC[N@H+]1CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012598778	1	57	0.0	-66.73	418.84	11.17	-55.56
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012598779	0	51	0.0	-65.09	397.01	8.43	-56.66
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012598779	1	51	0.0	-64.60	403.60	8.75	-55.85
CCC1CCCC[N@@H+]1CCNC(=O)N1CCOCC1C(=O)[O-]	REAL300012598780	0	49	0.0	-73.64	345.84	6.41	-67.23
CCC1CCCC[N@H+]1CCNC(=O)N1CCOCC1C(=O)[O-]	REAL300012598780	1	49	0.0	-72.29	352.32	6.60	-65.69
CCC1CCCC[N@@H+]1CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012598781	0	57	0.0	-72.38	383.45	9.36	-63.02
CCC1CCCC[N@H+]1CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012598781	1	57	0.0	-71.73	390.16	9.65	-62.08
CCC1CCCC[N@@H+]1CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012598782	0	57	0.0	-54.77	424.08	11.40	-43.37
CCC1CCCC[N@H+]1CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012598782	1	57	0.0	-54.19	430.67	11.72	-42.47
CCC1CCCC[N@@H+]1CCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012598783	0	54	0.0	-67.84	391.83	9.76	-58.08
CCC1CCCC[N@H+]1CCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012598783	1	54	0.0	-65.63	395.18	9.85	-55.78
CCC1CCCC[N@@H+]1CCNC(=O)N(CCOC)CC(=O)[O-]	REAL300012598784	0	51	0.0	-54.44	374.06	6.80	-47.64
CCC1CCCC[N@H+]1CCNC(=O)N(CCOC)CC(=O)[O-]	REAL300012598784	1	51	0.0	-53.76	380.64	7.12	-46.64
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012598785	0	55	0.0	-72.02	395.74	9.00	-63.02
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012598785	1	55	0.0	-71.49	402.07	9.27	-62.22
CCC1CCCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012598786	0	51	0.0	-74.64	360.59	9.04	-65.60
CCC1CCCC[N@H+]1CCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012598786	1	51	0.0	-74.08	360.91	9.01	-65.07
CCC1CCCC[N@@H+]1CCNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012598787	0	51	0.0	-72.73	360.61	8.27	-64.46
CCC1CCCC[N@H+]1CCNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012598787	1	51	0.0	-72.58	367.19	8.58	-64.00
CCC1CCCC[N@@H+]1CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012598788	0	58	0.0	-74.39	436.58	8.86	-65.53
CCC1CCCC[N@H+]1CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012598788	1	58	0.0	-74.60	443.41	9.14	-65.46
CCC1CCCC[N@@H+]1CCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012598789	0	54	0.0	-70.54	368.90	9.68	-60.86
CCC1CCCC[N@H+]1CCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012598789	1	54	0.0	-68.32	374.87	9.29	-59.03
CCCCC(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598790	0	53	0.0	-66.57	393.50	7.69	-58.88
CCCCC(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598790	1	53	0.0	-67.59	387.75	7.35	-60.24
CCC1CCCC[N@@H+]1CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012598791	0	57	0.0	-54.77	424.08	11.40	-43.37
CCC1CCCC[N@H+]1CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012598791	1	57	0.0	-54.19	430.67	11.72	-42.47
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012598792	0	51	0.0	-72.01	366.76	8.57	-63.44
CCC1CCCC[N@H+]1CCNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012598792	1	51	0.0	-71.49	360.14	8.35	-63.14
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012598793	0	54	0.0	-53.27	378.52	9.29	-43.98
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012598793	1	54	0.0	-52.39	385.61	9.51	-42.88
CCC1CCCC[N@@H+]1CCNC(=O)NC(COC)C(=O)[O-]	REAL300012598794	0	48	0.0	-69.00	356.61	4.05	-64.95
CCC1CCCC[N@H+]1CCNC(=O)NC(COC)C(=O)[O-]	REAL300012598794	1	48	0.0	-68.46	363.19	4.36	-64.10
CCCCCC(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598795	0	56	0.0	-66.53	415.00	8.47	-58.06
CCCCCC(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598795	1	56	0.0	-67.46	409.25	8.14	-59.32
CCC1CCC(NC(=O)NCC[N@@H+]2CCCCC2CC)(C(=O)[O-])CC1	REAL300012598796	0	60	0.0	-65.90	413.57	8.87	-57.03
CCC1CCC(NC(=O)NCC[N@H+]2CCCCC2CC)(C(=O)[O-])CC1	REAL300012598796	1	60	0.0	-70.26	413.34	9.28	-60.98
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012598797	0	55	0.0	-52.73	387.50	7.52	-45.21
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012598797	1	55	0.0	-52.79	394.04	7.84	-44.95
CCC1CCCC[N@@H+]1CCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012598798	0	54	0.0	-72.40	371.65	8.52	-63.88
CCC1CCCC[N@H+]1CCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012598798	1	54	0.0	-72.92	376.82	8.92	-64.00
CCC1CCCC[N@@H+]1CCNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012598799	0	51	0.0	-55.04	368.28	8.71	-46.33
CCC1CCCC[N@H+]1CCNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012598799	1	51	0.0	-54.55	368.48	8.67	-45.88
CCC(C(=O)[O-])N(C(=O)NCC[N@@H+]1CCCCC1CC)C1CC1	REAL300012598800	0	54	0.0	-54.47	388.28	9.62	-44.85
CCC(C(=O)[O-])N(C(=O)NCC[N@H+]1CCCCC1CC)C1CC1	REAL300012598800	1	54	0.0	-54.98	381.70	9.30	-45.68
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012598801	0	51	0.0	-69.50	392.30	8.40	-61.10
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012598801	1	51	0.0	-69.37	400.24	8.69	-60.68
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012598802	0	51	0.0	-73.39	384.83	8.07	-65.32
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012598802	1	51	0.0	-72.51	391.74	8.37	-64.14
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012598803	0	55	0.0	-56.05	395.30	10.39	-45.66
CCC1CCCC[N@H+]1CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012598803	1	55	0.0	-55.77	402.28	10.61	-45.16
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012598804	0	54	0.0	-72.38	418.39	9.18	-63.20
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012598804	1	54	0.0	-66.05	423.03	9.24	-56.81
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012598805	0	60	0.0	-71.20	446.11	10.90	-60.30
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012598805	1	60	0.0	-71.35	453.19	11.26	-60.09
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012598806	0	60	0.0	-68.61	425.08	9.02	-59.59
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012598806	1	60	0.0	-67.12	431.43	9.43	-57.69
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012598807	0	57	0.0	-53.28	413.44	11.38	-41.90
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012598807	1	57	0.0	-52.92	420.62	11.75	-41.17
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012598808	0	54	0.0	-68.32	401.69	8.59	-59.73
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012598808	1	54	0.0	-67.75	408.28	8.91	-58.84
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012598809	0	47	0.0	-62.18	360.68	6.50	-55.68
CCC1CCCC[N@H+]1CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012598809	1	47	0.0	-61.58	367.27	6.83	-54.75
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012598810	0	57	0.0	-70.14	426.87	10.16	-59.98
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012598810	1	57	0.0	-69.31	432.85	10.49	-58.82
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012598811	0	52	0.0	-67.20	371.92	7.68	-59.52
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012598811	1	52	0.0	-66.34	378.55	8.03	-58.31
CCC1CCCC[N@@H+]1CCNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012598812	0	51	0.0	-70.86	367.13	5.47	-65.39
CCC1CCCC[N@H+]1CCNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012598812	1	51	0.0	-70.26	373.72	5.79	-64.47
CCOCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCCCC1CC	REAL300012598813	0	54	0.0	-65.51	394.33	7.53	-57.98
CCOCC(C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCCCC1CC	REAL300012598813	1	54	0.0	-66.38	387.75	7.22	-59.16
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012598814	0	53	0.0	-53.08	378.59	8.68	-44.40
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012598814	1	53	0.0	-52.94	385.42	9.22	-43.72
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@@H+]1CCCCC1CC	REAL300012598815	0	60	0.0	-50.83	435.81	11.80	-39.03
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@H+]1CCCCC1CC	REAL300012598815	1	60	0.0	-49.12	423.30	11.22	-37.90
CCC1CCCC[N@@H+]1CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012598816	0	50	0.0	-54.20	382.31	8.75	-45.45
CCC1CCCC[N@H+]1CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012598816	1	50	0.0	-53.54	388.90	9.08	-44.46
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012598817	0	49	0.0	-66.61	350.40	4.30	-62.31
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012598817	1	49	0.0	-66.08	357.04	4.60	-61.48
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012598818	0	57	0.0	-67.54	397.33	8.19	-59.35
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012598818	1	57	0.0	-68.84	410.00	8.59	-60.25
CCC1CCCC[N@@H+]1CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012598819	0	58	0.0	-66.06	414.34	8.61	-57.45
CCC1CCCC[N@H+]1CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012598819	1	58	0.0	-65.44	420.85	8.84	-56.60
CCC1CCCC[N@@H+]1CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012598820	0	58	0.0	-74.08	418.51	11.96	-62.12
CCC1CCCC[N@H+]1CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012598820	1	58	0.0	-73.71	425.55	12.27	-61.44
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012598821	0	52	0.0	-70.00	365.70	5.53	-64.47
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012598821	1	52	0.0	-69.46	372.27	5.84	-63.62
C=CCCC(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598822	0	51	0.0	-67.65	379.06	7.13	-60.52
C=CCCC(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598822	1	51	0.0	-67.05	385.65	7.46	-59.59
CCC1CCCC[N@@H+]1CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012598823	0	57	0.0	-72.16	410.48	11.49	-60.67
CCC1CCCC[N@H+]1CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012598823	1	57	0.0	-44.44	419.85	12.00	-32.44
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC)(CC)C(=O)[O-]	REAL300012598824	0	53	0.0	-67.73	365.57	7.07	-60.66
CCC1CCCC[N@H+]1CCNC(=O)NC(CC)(CC)C(=O)[O-]	REAL300012598824	1	53	0.0	-67.32	372.14	7.40	-59.92
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012598825	0	55	0.0	-68.12	410.18	7.27	-60.85
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012598825	1	55	0.0	-68.29	416.96	7.50	-60.79
CCC(C)N(CC(=O)[O-])C(=O)NCC[N@@H+]1CCCCC1CC	REAL300012598826	0	53	0.0	-52.32	379.99	9.27	-43.05
CCC(C)N(CC(=O)[O-])C(=O)NCC[N@H+]1CCCCC1CC	REAL300012598826	1	53	0.0	-51.37	375.71	9.13	-42.24
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012598827	0	54	0.0	-72.52	383.81	6.38	-66.14
CCC1CCCC[N@H+]1CCNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012598827	1	54	0.0	-71.62	390.16	6.70	-64.92
CCC1CCCC[N@@H+]1CCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012598828	0	57	0.0	-66.39	407.41	7.88	-58.51
CCC1CCCC[N@H+]1CCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012598828	1	57	0.0	-65.28	413.99	8.19	-57.09
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012598829	0	54	0.0	-72.61	390.79	4.04	-68.57
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012598829	1	54	0.0	-71.96	397.38	4.33	-67.63
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012598830	0	51	0.0	-67.22	376.11	7.42	-59.80
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012598830	1	51	0.0	-66.43	383.22	7.62	-58.81
CCC1CCCC[N@@H+]1CCNC(=O)NC(CCOC)C(=O)[O-]	REAL300012598831	0	51	0.0	-68.10	378.42	4.86	-63.24
CCC1CCCC[N@H+]1CCNC(=O)NC(CCOC)C(=O)[O-]	REAL300012598831	1	51	0.0	-67.87	385.01	5.19	-62.68
CCC1CCCC[N@@H+]1CCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012598832	0	56	0.0	-65.96	395.49	9.40	-56.56
CCC1CCCC[N@H+]1CCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012598832	1	56	0.0	-64.31	400.16	9.51	-54.80
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012598833	0	47	0.0	-63.42	355.37	6.34	-57.08
CCC1CCCC[N@H+]1CCNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012598833	1	47	0.0	-62.10	361.12	6.67	-55.43
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+]1CCCCC1CC	REAL300012598834	0	57	0.0	-72.80	402.39	10.22	-62.58
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+]1CCCCC1CC	REAL300012598834	1	57	0.0	-73.48	397.83	10.15	-63.33
CCCN(C(=O)NCC[N@@H+]1CCCCC1CC)C(C)C(=O)[O-]	REAL300012598835	0	53	0.0	-64.09	381.00	8.77	-55.32
CCCN(C(=O)NCC[N@H+]1CCCCC1CC)C(C)C(=O)[O-]	REAL300012598835	1	53	0.0	-44.89	375.02	9.25	-35.64
CCC1CCCC[N@@H+]1CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012598836	0	57	0.0	-46.26	412.45	11.69	-34.57
CCC1CCCC[N@H+]1CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012598836	1	57	0.0	-44.54	418.97	12.06	-32.48
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012598837	0	57	0.0	-66.33	422.42	10.08	-56.25
CCC1CCCC[N@H+]1CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012598837	1	57	0.0	-65.78	429.01	10.40	-55.38
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300012598838	0	57	0.0	-69.17	405.68	9.56	-59.61
CCC1CCCC[N@H+]1CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300012598838	1	57	0.0	-68.67	412.28	9.88	-58.79
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012598839	0	61	0.0	-72.23	430.44	7.11	-65.12
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012598839	1	61	0.0	-69.81	439.58	7.53	-62.28
CCC1CCCC[N@@H+]1CCNC(=O)NC(CCF)C(=O)[O-]	REAL300012598840	0	47	0.0	-67.16	351.34	5.94	-61.22
CCC1CCCC[N@H+]1CCNC(=O)NC(CCF)C(=O)[O-]	REAL300012598840	1	47	0.0	-66.62	357.93	6.27	-60.35
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012598841	0	58	0.0	-66.15	413.63	6.98	-59.17
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012598841	1	58	0.0	-68.43	422.90	7.20	-61.23
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012598842	0	55	0.0	-52.73	387.50	7.52	-45.21
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012598842	1	55	0.0	-52.79	394.04	7.84	-44.95
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012598843	0	57	0.0	-53.61	395.90	9.99	-43.62
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012598843	1	57	0.0	-52.65	402.99	10.21	-42.44
CCC1CCCC[N@@H+]1CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012598844	0	57	0.0	-70.46	394.22	8.71	-61.75
CCC1CCCC[N@H+]1CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012598844	1	57	0.0	-69.93	394.65	8.71	-61.22
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012598845	0	55	0.0	-71.34	410.39	7.17	-64.17
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012598845	1	55	0.0	-70.77	416.96	7.49	-63.28
CCC1CCCC[N@@H+]1CCNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012598846	0	50	0.0	-63.68	355.47	6.32	-57.36
CCC1CCCC[N@H+]1CCNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012598846	1	50	0.0	-63.55	362.07	6.65	-56.90
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012598847	0	52	0.0	-58.36	377.71	8.36	-50.00
CCC1CCCC[N@H+]1CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012598847	1	52	0.0	-57.85	384.23	8.68	-49.17
CCC1CCCC[N@@H+]1CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012598848	0	48	0.0	-67.35	363.41	7.90	-59.45
CCC1CCCC[N@H+]1CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012598848	1	48	0.0	-67.03	363.86	7.88	-59.15
CCC1CCCC[N@@H+]1CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012598849	0	55	0.0	-70.66	409.81	7.19	-63.47
CCC1CCCC[N@H+]1CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012598849	1	55	0.0	-70.76	417.00	7.49	-63.27
CCC1CCCC[N@@H+]1CCNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012598850	0	57	0.0	-73.88	409.02	9.37	-64.51
CCC1CCCC[N@H+]1CCNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012598850	1	57	0.0	-72.54	415.52	8.85	-63.69
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012598851	0	58	0.0	-70.64	431.30	8.23	-62.41
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012598851	1	58	0.0	-71.84	439.16	8.44	-63.40
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012598852	0	60	0.0	-71.87	402.13	8.90	-62.97
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012598852	1	60	0.0	-70.94	408.70	9.20	-61.74
CCC1CCCC[N@@H+]1CCNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012598853	0	49	0.0	-78.64	351.08	8.31	-70.33
CCC1CCCC[N@H+]1CCNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012598853	1	49	0.0	-75.68	355.16	8.68	-67.00
CCC1CCCC[N@@H+]1CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012598854	0	57	0.0	-66.21	423.05	9.53	-56.68
CCC1CCCC[N@H+]1CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012598854	1	57	0.0	-65.36	429.63	9.86	-55.50
CCC1CCCC[N@@H+]1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012598855	0	56	0.0	-72.54	416.95	9.29	-63.25
CCC1CCCC[N@H+]1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012598855	1	56	0.0	-64.24	423.65	9.70	-54.54
CCC1CCCC[N@@H+]1CCNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012598856	0	55	0.0	-73.64	393.83	7.25	-66.39
CCC1CCCC[N@H+]1CCNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012598856	1	55	0.0	-71.96	399.07	7.63	-64.33
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012598857	0	58	0.0	-65.16	410.59	7.45	-57.71
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012598857	1	58	0.0	-66.46	418.57	7.64	-58.82
CCC1CCCC[N@@H+]1CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012598858	0	53	0.0	-69.08	375.56	6.92	-62.16
CCC1CCCC[N@H+]1CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012598858	1	53	0.0	-68.60	382.13	7.24	-61.36
C=C(Cl)CC(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598859	0	48	0.0	-63.69	373.23	6.93	-56.76
C=C(Cl)CC(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598859	1	48	0.0	-68.10	380.60	7.18	-60.92
C=C(C)CC(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598860	0	51	0.0	-67.88	378.64	7.01	-60.87
C=C(C)CC(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598860	1	51	0.0	-67.60	382.08	7.60	-60.00
CCC1CCCC[N@@H+]1CCNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012598861	0	52	0.0	-81.50	366.19	9.10	-72.40
CCC1CCCC[N@H+]1CCNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012598861	1	52	0.0	-80.40	372.17	9.46	-70.94
CCC1CCCC[N@@H+]1CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012598862	0	57	0.0	-66.90	412.72	9.08	-57.82
CCC1CCCC[N@H+]1CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012598862	1	57	0.0	-66.00	419.30	9.41	-56.59
CCC1CCCC[N@@H+]1CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012598863	0	48	0.0	-66.11	356.01	8.00	-58.11
CCC1CCCC[N@H+]1CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012598863	1	48	0.0	-65.82	356.03	8.00	-57.82
CCC1CCCC[N@@H+]1CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012598864	0	48	0.0	-71.47	349.99	7.80	-63.67
CCC1CCCC[N@H+]1CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012598864	1	48	0.0	-69.81	349.49	7.90	-61.91
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+]2CCCCC2CC)C1	REAL300012598865	0	49	0.0	-72.60	363.86	8.09	-64.51
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+]2CCCCC2CC)C1	REAL300012598865	1	49	0.0	-73.01	364.31	8.09	-64.92
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012598866	0	58	0.0	-69.62	416.21	6.62	-63.00
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012598866	1	58	0.0	-69.12	422.79	6.95	-62.17
CCC1CCCC[N@@H+]1CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012598867	0	53	0.0	-67.47	382.62	7.12	-60.35
CCC1CCCC[N@H+]1CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012598867	1	53	0.0	-66.96	389.22	7.49	-59.47
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012598868	0	55	0.0	-67.52	392.82	5.88	-61.64
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012598868	1	55	0.0	-70.63	395.83	5.92	-64.71
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012598869	0	51	0.0	-69.02	380.88	7.89	-61.13
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012598869	1	51	0.0	-67.62	387.27	8.28	-59.34
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012598870	0	51	0.0	-67.22	376.11	7.42	-59.80
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012598870	1	51	0.0	-66.43	383.22	7.62	-58.81
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012598871	0	50	0.0	-67.76	389.68	6.01	-61.75
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012598871	1	50	0.0	-67.68	396.50	6.28	-61.40
CCC1CCCC[N@@H+]1CCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012598872	0	59	0.0	-67.55	426.82	8.64	-58.91
CCC1CCCC[N@H+]1CCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012598872	1	59	0.0	-66.58	432.57	8.98	-57.60
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012598873	0	57	0.0	-69.72	431.33	9.39	-60.33
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012598873	1	57	0.0	-71.14	439.24	9.59	-61.55
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012598874	0	55	0.0	-70.85	400.36	6.25	-64.60
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012598874	1	55	0.0	-66.54	405.47	6.98	-59.56
CCC1CCCC[N@@H+]1CCNC(=O)NC(CSC)C(=O)[O-]	REAL300012598875	0	48	0.0	-65.08	368.45	6.15	-58.93
CCC1CCCC[N@H+]1CCNC(=O)NC(CSC)C(=O)[O-]	REAL300012598875	1	48	0.0	-64.51	375.03	6.48	-58.03
CCC1CCCC[N@@H+]1CCNC(=O)N[C@@H](COC)C(=O)[O-]	REAL300012598876	0	48	0.0	-68.70	356.12	4.03	-64.67
CCC1CCCC[N@H+]1CCNC(=O)N[C@@H](COC)C(=O)[O-]	REAL300012598876	1	48	0.0	-68.87	363.19	4.36	-64.51
CCC1CCCC[N@@H+]1CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012598877	0	54	0.0	-66.74	409.35	8.95	-57.79
CCC1CCCC[N@H+]1CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012598877	1	54	0.0	-66.19	415.93	9.28	-56.91
CCC(C)CC(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598878	0	56	0.0	-66.77	408.03	8.15	-58.62
CCC(C)CC(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598878	1	56	0.0	-67.68	401.39	7.88	-59.80
C=CCCCC(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598879	0	54	0.0	-67.60	400.56	7.91	-59.69
C=CCCCC(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598879	1	54	0.0	-66.11	406.31	8.25	-57.86
CCC1CCCC[N@@H+]1CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012598880	0	54	0.0	-66.76	408.69	8.90	-57.86
CCC1CCCC[N@H+]1CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012598880	1	54	0.0	-66.14	415.29	9.22	-56.92
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012598881	0	57	0.0	-66.15	421.68	10.37	-55.78
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012598881	1	57	0.0	-70.80	427.38	10.40	-60.40
CCC1CCCC[N@@H+]1CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012598882	0	49	0.0	-74.21	354.55	8.82	-65.39
CCC1CCCC[N@H+]1CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012598882	1	49	0.0	-73.99	361.44	9.24	-64.75
CCC1CCCC[N@@H+]1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012598883	0	54	0.0	-68.73	388.70	8.63	-60.10
CCC1CCCC[N@H+]1CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012598883	1	54	0.0	-67.95	395.29	8.97	-58.98
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012598884	0	52	0.0	-78.51	365.49	9.25	-69.26
CCC1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012598884	1	52	0.0	-77.20	364.18	9.24	-67.96
CCC1CCCC[N@@H+]1CCNC(=O)N(CC)C(C)(C)C(=O)[O-]	REAL300012598885	0	53	0.0	-69.10	369.12	8.43	-60.67
CCC1CCCC[N@H+]1CCNC(=O)N(CC)C(C)(C)C(=O)[O-]	REAL300012598885	1	53	0.0	-68.86	375.66	8.89	-59.97
CCCN(C(=O)NCC[N@@H+]1CCCCC1CC)C(C)C(=O)[O-]	REAL300012598886	0	53	0.0	-64.09	381.00	8.77	-55.32
CCCN(C(=O)NCC[N@H+]1CCCCC1CC)C(C)C(=O)[O-]	REAL300012598886	1	53	0.0	-44.89	375.02	9.25	-35.64
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012598887	0	47	0.0	-63.40	357.30	8.14	-55.26
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012598887	1	47	0.0	-62.76	363.88	8.45	-54.31
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012598888	0	47	0.0	-63.40	357.30	8.14	-55.26
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012598888	1	47	0.0	-62.76	363.88	8.45	-54.31
CCC1CCCC[N@@H+]1CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012598889	0	60	0.0	-54.91	430.52	6.19	-48.72
CCC1CCCC[N@H+]1CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012598889	1	60	0.0	-53.69	432.38	6.19	-47.50
CCC1CCCC[N@@H+]1CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012598890	0	49	0.0	-75.63	355.56	4.01	-71.62
CCC1CCCC[N@H+]1CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012598890	1	49	0.0	-74.60	355.08	4.11	-70.49
CCC1CCCC[N@@H+]1CCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012598891	1	64	0.0	-53.94	450.98	5.74	-48.20
CCC1CCCC[N@H+]1CCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012598891	1	64	0.0	-53.40	457.58	6.05	-47.35
CCC1CCCC[N@@H+]1CCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012598892	0	55	0.0	-51.62	398.64	10.52	-41.10
CCC1CCCC[N@H+]1CCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012598892	1	55	0.0	-50.95	405.19	10.86	-40.09
CCC1CCCC[N@@H+]1CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012598893	0	58	0.0	-57.52	407.81	10.85	-46.67
CCC1CCCC[N@H+]1CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012598893	1	58	0.0	-57.10	407.38	10.94	-46.16
CCC1CCCC[N@@H+]1CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012598894	0	56	0.0	-67.10	400.46	9.02	-58.08
CCC1CCCC[N@H+]1CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012598894	1	56	0.0	-67.48	407.06	9.31	-58.17
CCC1CCCC[N@@H+]1CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012598895	0	51	0.0	-68.78	380.90	7.88	-60.90
CCC1CCCC[N@H+]1CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012598895	1	51	0.0	-68.14	387.51	8.21	-59.93
CCC1CCCC[N@@H+]1CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012598896	0	56	0.0	-69.87	421.04	7.82	-62.05
CCC1CCCC[N@H+]1CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012598896	1	56	0.0	-68.74	427.38	8.22	-60.52
C=CCCC(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598897	0	51	0.0	-67.65	379.06	7.13	-60.52
C=CCCC(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598897	1	51	0.0	-67.05	385.65	7.46	-59.59
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012598898	0	50	0.0	-64.42	389.46	5.91	-58.51
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012598898	1	50	0.0	-70.09	396.32	6.14	-63.95
CCC1CCCC[N@@H+]1CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012598899	0	51	0.0	-64.83	409.22	7.63	-57.20
CCC1CCCC[N@H+]1CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012598899	1	51	0.0	-63.59	414.97	7.96	-55.63
CCC1CCCC[N@@H+]1CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012598900	0	51	0.0	-83.86	373.91	5.28	-78.58
CCC1CCCC[N@H+]1CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012598900	1	51	0.0	-82.38	380.33	5.55	-76.83
CCC1CCCC[N@@H+]1CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012598901	0	52	0.0	-67.95	371.26	6.96	-60.99
CCC1CCCC[N@H+]1CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012598901	1	52	0.0	-67.70	378.11	7.34	-60.36
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012598902	0	51	0.0	-72.53	366.76	8.58	-63.95
CCC1CCCC[N@H+]1CCNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012598902	1	51	0.0	-71.80	360.12	8.37	-63.43
CCC1CCCC[N@@H+]1CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012598903	0	51	0.0	-68.31	380.28	7.90	-60.41
CCC1CCCC[N@H+]1CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012598903	1	51	0.0	-67.66	386.87	8.23	-59.43
CCC1CCCC[N@@H+]1CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012598904	0	54	0.0	-69.86	390.29	7.22	-62.64
CCC1CCCC[N@H+]1CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012598904	1	54	0.0	-66.84	401.52	7.58	-59.26
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012598905	0	54	0.0	-53.27	378.52	9.29	-43.98
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012598905	1	54	0.0	-52.39	385.61	9.51	-42.88
CC[C@H](C)[C@H](NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598906	0	53	0.0	-66.85	380.92	7.07	-59.78
CC[C@H](C)[C@H](NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598906	1	53	0.0	-67.37	374.33	6.74	-60.63
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012598907	0	52	0.0	-76.06	376.15	3.71	-72.35
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012598907	1	52	0.0	-75.76	383.01	4.02	-71.74
CCC1CCCC[N@@H+]1CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012598908	0	60	0.0	-69.23	428.23	7.10	-62.13
CCC1CCCC[N@H+]1CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012598908	1	60	0.0	-67.90	431.25	7.31	-60.59
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012598909	0	54	0.0	-71.20	379.83	7.51	-63.69
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012598909	1	54	0.0	-69.73	386.56	7.85	-61.88
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012598910	0	57	0.0	-69.52	389.84	8.35	-61.17
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012598910	1	57	0.0	-69.77	396.84	8.61	-61.16
CCC1CCCC[N@@H+]1CCNC(=O)NC(CCOC)C(=O)[O-]	REAL300012598911	0	51	0.0	-68.10	378.42	4.86	-63.24
CCC1CCCC[N@H+]1CCNC(=O)NC(CCOC)C(=O)[O-]	REAL300012598911	1	51	0.0	-67.87	385.01	5.19	-62.68
CCC1CCCC[N@@H+]1CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012598912	0	57	0.0	-67.74	412.34	10.91	-56.83
CCC1CCCC[N@H+]1CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012598912	1	57	0.0	-66.73	418.84	11.17	-55.56
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012598913	0	54	0.0	-71.89	381.95	8.22	-63.67
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012598913	1	54	0.0	-72.20	382.02	8.24	-63.96
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012598914	0	61	0.0	-71.57	429.70	10.24	-61.33
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012598914	1	61	0.0	-70.24	436.21	10.51	-59.73
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012598915	0	51	0.0	-69.57	373.69	6.86	-62.71
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012598915	1	51	0.0	-67.84	380.04	7.26	-60.58
CCC1CCCC[N@@H+]1CCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012598916	0	60	0.0	-69.44	428.56	7.07	-62.37
CCC1CCCC[N@H+]1CCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012598916	1	60	0.0	-67.97	435.36	7.42	-60.55
CCC1CCCC[N@@H+]1CCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012598917	0	49	0.0	-78.74	354.22	4.21	-74.53
CCC1CCCC[N@H+]1CCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012598917	1	49	0.0	-78.79	355.03	4.28	-74.51
CCC1CCCC[N@@H+]1CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012598918	0	59	0.0	-59.05	422.62	11.42	-47.63
CCC1CCCC[N@H+]1CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012598918	1	59	0.0	-56.85	429.63	11.76	-45.09
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012598919	0	52	0.0	-65.13	374.85	4.83	-60.30
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012598919	1	52	0.0	-65.29	378.21	5.15	-60.14
CCC1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012598920	0	52	0.0	-77.04	365.92	8.88	-68.16
CCC1CCCC[N@H+]1CCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012598920	1	52	0.0	-76.79	371.81	9.18	-67.61
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012598921	0	55	0.0	-75.19	412.42	7.95	-67.24
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012598921	1	55	0.0	-75.13	419.17	8.34	-66.79
CCC1CCCC[N@@H+]1CCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012598922	0	50	0.0	-74.20	357.92	6.61	-67.59
CCC1CCCC[N@H+]1CCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012598922	1	50	0.0	-73.38	364.21	6.93	-66.45
CCC1CCCC[N@@H+]1CCNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012598923	0	54	0.0	-73.67	370.04	9.67	-64.00
CCC1CCCC[N@H+]1CCNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012598923	1	54	0.0	-73.70	381.94	9.63	-64.07
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012598924	0	57	0.0	-67.38	418.35	9.24	-58.14
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012598924	1	57	0.0	-66.48	424.59	9.51	-56.97
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012598925	0	58	0.0	-66.06	412.23	9.78	-56.28
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012598925	1	58	0.0	-67.16	419.55	9.92	-57.24
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012598926	0	51	0.0	-66.57	363.92	6.87	-59.70
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012598926	1	51	0.0	-67.00	375.39	7.11	-59.89
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012598927	0	64	0.0	-69.70	438.13	8.66	-61.04
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012598927	1	64	0.0	-68.93	444.75	8.89	-60.04
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012598928	0	57	0.0	-67.54	397.33	8.19	-59.35
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012598928	1	57	0.0	-68.84	410.00	8.59	-60.25
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012598929	0	51	0.0	-66.57	363.92	6.87	-59.70
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012598929	1	51	0.0	-67.00	375.39	7.11	-59.89
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012598930	0	51	0.0	-73.19	358.42	8.19	-65.00
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012598930	1	51	0.0	-74.76	372.80	8.20	-66.56
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012598931	0	58	0.0	-69.64	418.21	7.15	-62.49
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012598931	1	58	0.0	-66.26	423.57	7.85	-58.41
CCC1CCCC[N@@H+]1CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012598932	0	58	0.0	-46.06	397.19	9.85	-36.21
CCC1CCCC[N@H+]1CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012598932	1	58	0.0	-46.69	390.18	9.53	-37.16
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012598933	0	58	0.0	-71.16	394.54	6.79	-64.37
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012598933	1	58	0.0	-71.04	401.35	7.13	-63.91
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012598934	0	58	0.0	-58.56	411.85	10.94	-47.62
CCC1CCCC[N@H+]1CCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012598934	1	58	0.0	-55.83	420.53	11.06	-44.77
CCC1CCCC[N@@H+]1CCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012598935	0	52	0.0	-48.60	373.02	9.01	-39.59
CCC1CCCC[N@H+]1CCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012598935	1	52	0.0	-48.97	366.46	8.75	-40.22
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012598936	0	58	0.0	-66.06	412.23	9.78	-56.28
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012598936	1	58	0.0	-67.16	419.55	9.92	-57.24
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012598937	0	54	0.0	-69.02	408.21	9.00	-60.02
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012598937	1	54	0.0	-70.22	416.07	9.21	-61.01
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012598938	0	52	0.0	-66.07	377.12	5.48	-60.59
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012598938	1	52	0.0	-66.68	384.20	5.70	-60.98
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012598939	0	48	0.0	-68.63	354.08	6.64	-61.99
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012598939	1	48	0.0	-69.39	361.02	6.86	-62.53
CCC1CCCC[N@@H+]1CCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012598940	0	52	0.0	-66.10	377.16	5.47	-60.63
CCC1CCCC[N@H+]1CCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012598940	1	52	0.0	-66.73	383.95	5.70	-61.03
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012598941	0	51	0.0	-66.99	385.76	7.20	-59.79
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012598941	1	51	0.0	-65.95	392.79	7.69	-58.26
CCC1CCCC[N@@H+]1CCNC(=O)N1CCCC1(CC)C(=O)[O-]	REAL300012598942	0	54	0.0	-75.17	373.41	9.27	-65.90
CCC1CCCC[N@H+]1CCNC(=O)N1CCCC1(CC)C(=O)[O-]	REAL300012598942	1	54	0.0	-74.73	383.43	9.86	-64.87
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012598943	0	47	0.0	-62.18	360.68	6.50	-55.68
CCC1CCCC[N@H+]1CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012598943	1	47	0.0	-61.58	367.27	6.83	-54.75
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012598944	0	55	0.0	-64.37	393.26	5.61	-58.76
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012598944	1	55	0.0	-69.57	405.33	6.15	-63.42
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012598945	0	51	0.0	-66.20	395.09	7.89	-58.31
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012598945	1	51	0.0	-66.14	401.92	8.14	-58.00
CCC1CCCC[N@@H+]1CCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012598946	0	58	0.0	-67.64	421.66	7.85	-59.79
CCC1CCCC[N@H+]1CCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012598946	1	58	0.0	-66.84	428.48	8.20	-58.64
CCC1CCCC[N@@H+]1CCNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012598947	0	53	0.0	-66.98	363.81	6.81	-60.17
CCC1CCCC[N@H+]1CCNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012598947	1	53	0.0	-66.64	372.21	7.19	-59.45
CCC1CCCC[N@@H+]1CCNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012598948	0	49	0.0	-75.27	356.02	9.14	-66.13
CCC1CCCC[N@H+]1CCNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012598948	1	49	0.0	-75.79	357.52	9.15	-66.64
CCC1CCCC[N@@H+]1CCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012598949	0	52	0.0	-74.73	366.74	8.49	-66.24
CCC1CCCC[N@H+]1CCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012598949	1	52	0.0	-75.03	366.44	8.48	-66.55
CCC1CCCC[N@@H+]1CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012598950	0	57	0.0	-46.26	412.45	11.69	-34.57
CCC1CCCC[N@H+]1CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012598950	1	57	0.0	-44.54	418.97	12.06	-32.48
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012598951	0	60	0.0	-68.61	425.08	9.02	-59.59
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012598951	1	60	0.0	-67.12	431.43	9.43	-57.69
CCC1CCCC[N@@H+]1CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012598952	0	57	0.0	-69.09	426.16	9.59	-59.50
CCC1CCCC[N@H+]1CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012598952	1	57	0.0	-67.98	432.49	9.97	-58.01
CCC1CCCC[N@@H+]1CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012598953	0	57	0.0	-68.78	426.16	9.60	-59.18
CCC1CCCC[N@H+]1CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012598953	1	57	0.0	-68.15	432.74	9.93	-58.22
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012598954	0	58	0.0	-69.50	406.41	8.60	-60.90
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012598954	1	58	0.0	-69.08	413.09	8.92	-60.16
CCC1CCCC[N@@H+]1CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012598955	0	60	0.0	-68.25	425.03	9.04	-59.21
CCC1CCCC[N@H+]1CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012598955	1	60	0.0	-67.12	431.43	9.43	-57.69
CCC1CCCC[N@@H+]1CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012598956	0	60	0.0	-68.59	425.08	9.02	-59.57
CCC1CCCC[N@H+]1CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012598956	1	60	0.0	-68.07	431.66	9.33	-58.74
CCC1CCCC[N@@H+]1CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012598957	0	58	0.0	-48.77	406.17	9.64	-39.13
CCC1CCCC[N@H+]1CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012598957	1	58	0.0	-48.06	412.80	9.96	-38.10
CCC1CCCC[N@@H+]1CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012598958	0	58	0.0	-75.51	408.62	9.67	-65.84
CCC1CCCC[N@H+]1CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012598958	1	58	0.0	-75.52	400.50	9.50	-66.02
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012598959	0	58	0.0	-68.11	432.32	8.20	-59.91
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012598959	1	58	0.0	-69.54	439.26	8.45	-61.09
C=CCSCC(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598960	0	52	0.0	-64.47	402.48	7.69	-56.78
C=CCSCC(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012598960	1	52	0.0	-63.86	409.07	8.00	-55.86
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012598961	0	55	0.0	-68.15	423.10	9.23	-58.92
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012598961	1	55	0.0	-68.15	430.56	9.55	-58.60
CCC(C(=O)[O-])N(CC)C(=O)NCC[N@@H+]1CCCCC1CC	REAL300012598962	0	53	0.0	-64.85	376.05	8.94	-55.91
CCC(C(=O)[O-])N(CC)C(=O)NCC[N@H+]1CCCCC1CC	REAL300012598962	1	53	0.0	-65.49	369.46	8.61	-56.88
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012598963	0	55	0.0	-71.86	392.17	6.57	-65.29
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012598963	1	55	0.0	-70.15	399.81	5.94	-64.21
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012598964	0	57	0.0	-68.00	405.88	8.82	-59.18
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012598964	1	57	0.0	-62.19	406.92	8.46	-53.73
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012598965	0	58	0.0	-70.32	412.21	9.94	-60.38
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012598965	1	58	0.0	-69.79	418.76	10.28	-59.51
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012598966	0	51	0.0	-66.65	375.71	7.25	-59.40
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012598966	1	51	0.0	-73.50	384.33	7.67	-65.83
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012598968	0	63	0.0	-68.30	457.11	10.21	-58.09
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012598968	1	63	0.0	-67.36	463.07	10.55	-56.81
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012598969	0	60	0.0	-67.89	440.51	9.84	-58.05
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012598969	1	60	0.0	-68.02	447.70	10.13	-57.89
CCC1CCCC[N@@H+]1CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012598970	0	48	0.0	-71.47	349.99	7.80	-63.67
CCC1CCCC[N@H+]1CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012598970	1	48	0.0	-69.81	349.49	7.90	-61.91
CCC1CCCC[N@@H+]1CCNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012598971	0	50	0.0	-49.06	359.67	8.49	-40.57
CCC1CCCC[N@H+]1CCNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012598971	1	50	0.0	-48.11	365.90	8.84	-39.27
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012598972	0	54	0.0	-72.77	377.91	8.75	-64.02
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012598972	1	54	0.0	-74.37	383.99	8.82	-65.55
CCOC1=CC=C(C(NC(=O)NCC[N@@H+]2CCCCC2CC)C(=O)[O-])C=C1	REAL300012598973	0	58	0.0	-67.57	438.22	8.46	-59.11
CCOC1=CC=C(C(NC(=O)NCC[N@H+]2CCCCC2CC)C(=O)[O-])C=C1	REAL300012598973	1	58	0.0	-68.06	431.63	8.14	-59.92
CCC1CCCC[N@@H+]1CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012598974	0	58	0.0	-75.06	399.94	10.44	-64.62
CCC1CCCC[N@H+]1CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012598974	1	58	0.0	-74.22	406.63	10.72	-63.50
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012598975	0	58	0.0	-68.00	423.23	9.95	-58.05
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012598975	1	58	0.0	-66.98	428.16	10.07	-56.91
CCC1CCCC[N@@H+]1CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012598976	0	58	0.0	-73.05	423.35	8.92	-64.13
CCC1CCCC[N@H+]1CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012598976	1	58	0.0	-72.18	429.93	9.25	-62.93
CCC1CCCC[N@@H+]1CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012598977	0	54	0.0	-64.07	410.55	9.08	-54.99
CCC1CCCC[N@H+]1CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012598977	1	54	0.0	-64.47	417.97	9.39	-55.08
CCC1CCCC[N@@H+]1CCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012598978	0	56	0.0	-67.79	405.32	7.87	-59.92
CCC1CCCC[N@H+]1CCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012598978	1	56	0.0	-66.73	411.07	8.20	-58.53
CCC1CCCC[N@@H+]1CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012598979	0	55	0.0	-48.91	389.87	9.30	-39.61
CCC1CCCC[N@H+]1CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012598979	1	55	0.0	-48.92	399.35	9.46	-39.46
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012598980	0	55	0.0	-64.37	393.26	5.61	-58.76
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012598980	1	55	0.0	-69.57	405.33	6.15	-63.42
CCC1CCCC[N@@H+]1CCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012598981	0	52	0.0	-70.72	392.77	9.18	-61.54
CCC1CCCC[N@H+]1CCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012598981	1	52	0.0	-69.86	386.31	9.00	-60.86
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012598982	0	55	0.0	-70.19	382.74	8.40	-61.79
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012598982	1	55	0.0	-69.18	389.35	8.73	-60.45
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012598983	0	52	0.0	-71.25	366.75	7.85	-63.40
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012598983	1	52	0.0	-71.38	373.73	8.08	-63.30
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012598984	0	55	0.0	-69.40	394.48	8.46	-60.94
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012598984	1	55	0.0	-69.21	395.09	8.46	-60.75
CCC1CCCC[N@@H+]1CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012598985	0	57	0.0	-68.50	413.78	10.78	-57.72
CCC1CCCC[N@H+]1CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012598985	1	57	0.0	-66.73	418.84	11.17	-55.56
CCC1CCCC[N@@H+]1CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012598986	0	61	0.0	-47.80	419.58	10.15	-37.65
CCC1CCCC[N@H+]1CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012598986	1	61	0.0	-47.23	426.11	10.50	-36.73
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012598987	0	54	0.0	-67.66	380.46	7.43	-60.23
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012598987	1	54	0.0	-67.38	387.49	7.71	-59.67
CCC1CCCC[N@@H+]1CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012598988	0	51	0.0	-68.43	374.27	5.04	-63.39
CCC1CCCC[N@H+]1CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012598988	1	51	0.0	-67.90	380.85	5.37	-62.53
CCC1CCCC[N@@H+]1CCNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012598989	0	51	0.0	-69.66	359.06	7.07	-62.59
CCC1CCCC[N@H+]1CCNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012598989	1	51	0.0	-71.50	370.47	7.67	-63.83
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012598990	0	54	0.0	-53.03	401.63	10.62	-42.41
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012598990	1	54	0.0	-51.33	402.23	10.65	-40.68
CCC1CCCC[N@@H+]1CCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012598991	0	54	0.0	-49.18	384.17	8.45	-40.73
CCC1CCCC[N@H+]1CCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012598991	1	54	0.0	-49.02	392.19	8.75	-40.27
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012598992	0	55	0.0	-70.79	402.41	10.80	-59.99
CCC1CCCC[N@H+]1CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012598992	1	55	0.0	-71.91	410.28	11.31	-60.60
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012598993	0	51	0.0	-73.79	365.86	8.80	-64.99
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012598993	1	51	0.0	-74.39	372.82	9.42	-64.97
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012598994	0	48	0.0	-72.80	354.20	7.81	-64.99
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012598994	1	48	0.0	-74.47	363.67	7.73	-66.74
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012598995	0	54	0.0	-69.02	408.21	9.00	-60.02
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012598995	1	54	0.0	-70.22	416.07	9.21	-61.01
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012598996	0	51	0.0	-67.14	393.84	7.81	-59.33
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012598996	1	51	0.0	-67.51	400.64	8.05	-59.46
CCC1CCCC[N@@H+]1CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012598997	0	51	0.0	-71.79	373.11	8.51	-63.28
CCC1CCCC[N@H+]1CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012598997	1	51	0.0	-71.15	379.70	8.82	-62.33
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012598998	0	55	0.0	-70.05	407.43	8.65	-61.40
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012598998	1	55	0.0	-68.58	407.14	8.66	-59.92
CCC1CCCC[N@@H+]1CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012598999	0	59	0.0	-71.27	438.37	10.51	-60.76
CCC1CCCC[N@H+]1CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012598999	1	59	0.0	-71.72	438.14	10.50	-61.22
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012599000	0	51	0.0	-67.14	393.84	7.81	-59.33
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012599000	1	51	0.0	-67.51	400.64	8.05	-59.46
CCC1CCCC[N@@H+]1CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012599001	0	55	0.0	-74.32	381.39	9.18	-65.14
CCC1CCCC[N@H+]1CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012599001	1	55	0.0	-74.97	387.78	9.11	-65.86
CCC1CCCC[N@@H+]1CCNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012599002	0	54	0.0	-67.01	399.92	5.64	-61.37
CCC1CCCC[N@H+]1CCNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012599002	1	54	0.0	-66.74	406.51	5.96	-60.78
CCCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCCCC1CC	REAL300012599003	0	53	0.0	-65.57	383.26	8.89	-56.68
CCCC(C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCCCC1CC	REAL300012599003	1	53	0.0	-65.10	377.22	8.61	-56.49
CCOCC(NC(=O)NCC[N@@H+]1CCCCC1CC)C(=O)[O-]	REAL300012599004	0	51	0.0	-68.79	385.05	5.34	-63.45
CCOCC(NC(=O)NCC[N@H+]1CCCCC1CC)C(=O)[O-]	REAL300012599004	1	51	0.0	-68.94	378.33	5.07	-63.87
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012599005	0	56	0.0	-67.74	394.66	8.25	-59.49
CCC1CCCC[N@H+]1CCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012599005	1	56	0.0	-67.59	402.41	8.53	-59.06
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012599006	0	55	0.0	-70.22	396.56	6.35	-63.87
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012599006	1	55	0.0	-68.95	400.07	6.29	-62.66
CCC1CCCC[N@@H+]1CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012599007	0	55	0.0	-69.16	399.88	9.23	-59.93
CCC1CCCC[N@H+]1CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012599007	1	55	0.0	-70.27	407.02	9.50	-60.77
CCC1CCCC[N@@H+]1CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012599008	0	52	0.0	-73.33	365.70	7.37	-65.96
CCC1CCCC[N@H+]1CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012599008	1	52	0.0	-73.16	365.13	7.00	-66.16
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012599009	0	54	0.0	-67.00	385.55	8.77	-58.23
CCC1CCCC[N@H+]1CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012599009	1	54	0.0	-70.86	385.79	8.65	-62.21
CCC1CCCC[N@@H+]1CCNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012599010	0	48	0.0	-69.35	364.77	6.32	-63.03
CCC1CCCC[N@H+]1CCNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012599010	1	48	0.0	-69.54	372.18	6.64	-62.90
CCC1CCCC[N@@H+]1CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012599011	0	65	0.0	-71.27	436.63	9.98	-61.29
CCC1CCCC[N@H+]1CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012599011	1	65	0.0	-71.68	443.88	10.24	-61.44
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012599012	0	57	0.0	-68.31	427.19	9.28	-59.03
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012599012	1	57	0.0	-68.89	434.27	9.50	-59.39
CCC1CCCC[N@@H+]1CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012599013	0	51	0.0	-54.82	382.84	8.86	-45.96
CCC1CCCC[N@H+]1CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012599013	1	51	0.0	-53.94	389.93	9.08	-44.86
CCC1CCCC[N@@H+]1CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012599014	0	62	0.0	-71.88	414.50	9.45	-62.43
CCC1CCCC[N@H+]1CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012599014	1	62	0.0	-75.12	424.00	9.88	-65.24
CCC1CCCC[N@@H+]1CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012599015	0	53	0.0	-68.53	414.82	7.53	-61.00
CCC1CCCC[N@H+]1CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012599015	1	53	0.0	-67.93	421.41	7.85	-60.08
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+]2CCCCC2CC)C1	REAL300012599016	0	55	0.0	-71.92	398.12	7.79	-64.13
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+]2CCCCC2CC)C1	REAL300012599016	1	55	0.0	-72.50	404.80	7.98	-64.52
CN(CC(=O)[O-])C(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300012599233	0	53	0.0	-71.75	408.22	5.49	-66.26
CN(CC(=O)[O-])C(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300012599233	1	53	0.0	-76.96	404.31	5.84	-71.12
CN(CC(=O)[O-])C(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300012599235	0	53	0.0	-71.75	408.22	5.49	-66.26
CN(CC(=O)[O-])C(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300012599235	1	53	0.0	-76.96	404.31	5.84	-71.12
CC(C)(NC(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1)C(=O)[O-]	REAL300012599236	0	56	0.0	-62.74	418.96	4.36	-58.38
CC(C)(NC(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1)C(=O)[O-]	REAL300012599236	1	56	0.0	-64.20	418.94	4.37	-59.83
CCN(CC(=O)[O-])C(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300012599237	0	56	0.0	-71.88	430.03	6.47	-65.41
CCN(CC(=O)[O-])C(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300012599237	1	56	0.0	-77.14	426.11	6.81	-70.33
CCN(CC(=O)[O-])C(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300012599239	0	56	0.0	-71.88	430.03	6.47	-65.41
CCN(CC(=O)[O-])C(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300012599239	1	56	0.0	-77.14	426.11	6.81	-70.33
O=C([O-])C1(NC(=O)NC2CCCN(C3=CC(N4CCOCC4)=NC=[NH+]3)C2)CC1	REAL300012599241	0	54	0.0	-78.77	416.41	4.83	-73.94
O=C([O-])C1(NC(=O)NC2CCCN(C3=CC(N4CCOCC4)=[NH+]C=N3)C2)CC1	REAL300012599241	1	54	0.0	-84.15	412.54	5.18	-78.97
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300012599242	0	56	0.0	-71.72	419.29	6.06	-65.66
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300012599242	1	56	0.0	-70.05	418.72	5.96	-64.09
CC(C(=O)[O-])N(C)C(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300012599243	0	56	0.0	-68.09	422.62	5.61	-62.48
CC(C(=O)[O-])N(C)C(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300012599243	1	56	0.0	-72.31	418.71	5.96	-66.35
CC(C(=O)[O-])N(C)C(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300012599245	0	56	0.0	-68.09	422.62	5.61	-62.48
CC(C(=O)[O-])N(C)C(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300012599245	1	56	0.0	-72.31	418.71	5.96	-66.35
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300012599246	0	56	0.0	-69.79	418.22	6.00	-63.79
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300012599246	1	56	0.0	-72.19	418.29	6.07	-66.12
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300012599248	0	56	0.0	-69.79	418.22	6.00	-63.79
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300012599248	1	56	0.0	-72.19	418.29	6.07	-66.12
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300012599249	0	56	0.0	-71.72	419.29	6.06	-65.66
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300012599249	1	56	0.0	-70.05	418.72	5.96	-64.09
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2OCCC3=CC=CC=C32)CC1	REAL300012599428	0	58	0.0	-66.34	440.87	7.46	-58.88
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3=CNN=C3C2)CC1	REAL300012599889	0	54	0.0	-68.89	411.65	5.63	-63.26
CC1=CC=C(NCCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]=C1	REAL300012600008	1	49	0.0	-69.78	391.28	6.19	-63.59
C=CCOCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600009	1	48	0.0	-71.02	398.96	4.57	-66.45
C=CC(C)C(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600010	1	47	0.0	-71.06	378.41	5.66	-65.40
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+]=C1	REAL300012600011	1	51	0.0	-69.84	400.91	4.86	-64.98
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)[NH+]=C1	REAL300012600012	1	47	0.0	-65.31	401.48	7.06	-58.25
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)[NH+]=C1	REAL300012600013	1	47	0.0	-65.31	411.37	7.51	-57.80
COC1CCN(C(=O)NCCCNC2=CC=C(C)C=[NH+]2)C(C(=O)[O-])C1	REAL300012600014	1	51	0.0	-80.14	393.01	6.80	-73.34
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2CCCOC2)[NH+]=C1	REAL300012600015	1	51	0.0	-68.32	396.70	4.68	-63.64
CC1=CC=C(NCCCNC(=O)N2CCC(C)CC2C(=O)[O-])[NH+]=C1	REAL300012600016	1	50	0.0	-80.23	383.84	8.60	-71.63
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)[NH+]=C1	REAL300012600017	1	50	0.0	-67.88	415.48	7.64	-60.24
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)[NH+]=C1	REAL300012600018	1	52	0.0	-71.58	424.90	6.71	-64.87
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)[NH+]=C1	REAL300012600019	1	53	0.0	-72.07	431.60	8.27	-63.80
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)[NH+]=C1	REAL300012600020	1	53	0.0	-72.55	427.41	8.07	-64.48
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)[NH+]=C1	REAL300012600021	1	53	0.0	-72.02	421.87	7.99	-64.03
COC1=CC=C(C(NC(=O)NCCCNC2=CC=C(C)C=[NH+]2)C(=O)[O-])C=C1F	REAL300012600022	1	51	0.0	-71.33	424.47	6.31	-65.02
CCCN(CC(=O)[O-])C(=O)NCCCNC1=CC=C(C)C=[NH+]1	REAL300012600023	1	46	0.0	-57.40	372.26	7.35	-50.05
CC1=CC=C(NCCCNC(=O)N(C(C)C(=O)[O-])C2CCC2)[NH+]=C1	REAL300012600024	1	50	0.0	-57.71	385.03	7.70	-50.01
CCCN(C(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(COC)C(=O)[O-]	REAL300012600025	1	53	0.0	-73.51	414.24	8.35	-65.16
CCCN(C(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(CC)C(=O)[O-]	REAL300012600026	1	52	0.0	-71.72	400.35	8.97	-62.75
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C(C)C)[NH+]=C1	REAL300012600027	1	46	0.0	-70.30	364.95	5.12	-65.18
CC1=CC=C(NCCCNC(=O)N2CCCCC2C(=O)[O-])[NH+]=C1	REAL300012600028	1	47	0.0	-80.02	362.92	7.96	-72.06
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)[NH+]=C1	REAL300012600029	1	47	0.0	-67.81	405.74	7.39	-60.42
CC1=CC=C(NCCCNC(=O)N2CCSCC2C(=O)[O-])[NH+]=C1	REAL300012600030	1	45	0.0	-76.80	362.75	7.83	-68.97
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+]=C1	REAL300012600031	1	50	0.0	-73.73	382.35	7.00	-66.73
CC1=CC=C(NCCCNC(=O)N2CCCC2C(=O)[O-])[NH+]=C1	REAL300012600032	1	44	0.0	-75.98	351.58	6.70	-69.28
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCCC2)[NH+]=C1	REAL300012600033	1	47	0.0	-74.28	367.26	5.86	-68.42
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCCCCC2)[NH+]=C1	REAL300012600034	1	53	0.0	-74.32	388.01	7.67	-66.65
CC1=CC=C(NCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+]=C1	REAL300012600035	1	50	0.0	-71.14	411.02	7.87	-63.27
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+]=C1	REAL300012600036	1	50	0.0	-57.76	409.76	9.60	-48.16
CC1=CC=C(NCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+]=C1	REAL300012600037	1	47	0.0	-71.66	389.01	6.87	-64.79
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+]=C1	REAL300012600038	1	47	0.0	-71.28	388.74	6.94	-64.34
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C(C)C)[NH+]=C1	REAL300012600039	1	46	0.0	-70.30	364.95	5.12	-65.18
CC1=CC=C(NCCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+]=C1	REAL300012600040	1	50	0.0	-71.14	411.02	7.87	-63.27
CCC(C)C(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600041	1	49	0.0	-70.80	384.08	5.75	-65.05
CC1=CC=C(NCCCNC(=O)N2CCCCC2C(=O)[O-])[NH+]=C1	REAL300012600042	1	47	0.0	-80.02	362.92	7.96	-72.06
CCCC(C)(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600043	1	49	0.0	-70.19	378.47	5.91	-64.28
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])C(C)C)[NH+]=C1	REAL300012600044	1	46	0.0	-58.21	360.89	6.88	-51.33
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])C2CC2)[NH+]=C1	REAL300012600045	1	44	0.0	-58.44	354.02	7.12	-51.32
C=CCN(CC(=O)[O-])C(=O)NCCCNC1=CC=C(C)C=[NH+]1	REAL300012600046	1	44	0.0	-57.15	363.58	7.16	-49.99
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]=C1	REAL300012600047	1	49	0.0	-56.83	386.68	7.66	-49.17
CC1=CC=C(NCCCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])[NH+]=C1	REAL300012600048	1	51	0.0	-80.24	401.14	10.00	-70.24
CC1=CC=C(NCCCNC(=O)NC(C)(C(=O)[O-])C2CC2)[NH+]=C1	REAL300012600049	1	47	0.0	-71.71	366.47	5.91	-65.80
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=CS2)[NH+]=C1	REAL300012600050	1	44	0.0	-69.43	380.36	6.02	-63.41
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+]=C1	REAL300012600051	1	50	0.0	-73.73	382.35	7.00	-66.73
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)[NH+]=C1	REAL300012600052	1	50	0.0	-55.25	426.50	10.12	-45.13
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])C(C)C)[NH+]=C1	REAL300012600053	1	46	0.0	-58.21	360.89	6.88	-51.33
CCCN(CC(=O)[O-])C(=O)NCCCNC1=CC=C(C)C=[NH+]1	REAL300012600054	1	46	0.0	-57.40	372.26	7.35	-50.05
CC1=CC=C(NCCCNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])[NH+]=C1	REAL300012600055	1	54	0.0	-72.28	439.45	7.90	-64.38
CC[C@H](C)[C@H](NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600056	1	49	0.0	-70.77	384.08	5.75	-65.02
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCCC2)[NH+]=C1	REAL300012600057	1	47	0.0	-74.28	367.26	5.86	-68.42
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)[NH+]=C1	REAL300012600058	1	50	0.0	-55.38	416.18	9.67	-45.71
CCC(C)(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600059	1	46	0.0	-69.89	356.97	5.15	-64.74
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)[NH+]=C1	REAL300012600060	1	51	0.0	-73.26	406.95	8.04	-65.22
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)[NH+]=C1	REAL300012600061	1	47	0.0	-70.89	399.60	7.08	-63.81
CC1=CC=C(NCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+]=C1	REAL300012600062	1	50	0.0	-72.12	396.79	7.64	-64.48
CCCCCCC(C)(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600063	1	58	0.0	-70.39	442.97	8.24	-62.15
CC1=CC=C(NCCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])[NH+]=C1	REAL300012600064	1	53	0.0	-68.38	420.34	9.83	-58.55
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)[NH+]=C1	REAL300012600065	1	47	0.0	-67.81	405.74	7.39	-60.42
CC1=CC=C(NCCCNC(=O)N2CCOCC2C(=O)[O-])[NH+]=C1	REAL300012600066	1	45	0.0	-76.26	354.09	5.30	-70.96
CC1=CC=C(NCCCNC(=O)N(C)C2(C(=O)[O-])CCCCC2)[NH+]=C1	REAL300012600067	1	53	0.0	-75.21	391.61	8.31	-66.90
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2CC2)[NH+]=C1	REAL300012600068	1	44	0.0	-70.50	357.07	5.26	-65.24
CC1=CC=C(NCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])[NH+]=C1	REAL300012600069	1	53	0.0	-58.47	432.17	10.38	-48.09
CC1=CC=C(NCCCNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)[NH+]=C1	REAL300012600070	1	50	0.0	-70.55	398.80	9.20	-61.35
COCCN(CC(=O)[O-])C(=O)NCCCNC1=CC=C(C)C=[NH+]1	REAL300012600071	1	47	0.0	-58.06	382.14	5.78	-52.28
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)[NH+]=C1	REAL300012600072	1	51	0.0	-76.95	404.02	7.98	-68.97
CC1=CC=C(NCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+]=C1	REAL300012600073	1	44	0.0	-76.33	352.35	6.39	-69.94
CC1=CC=C(NCCCNC(=O)N2CCCC[C@@H]2C(=O)[O-])[NH+]=C1	REAL300012600074	1	47	0.0	-78.69	362.46	7.72	-70.97
CC1=CC=C(NCCCNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+]=C1	REAL300012600075	1	44	0.0	-75.96	351.58	6.71	-69.25
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCC2)[NH+]=C1	REAL300012600076	1	44	0.0	-74.80	354.08	5.49	-69.31
C=CCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600077	1	44	0.0	-69.41	366.15	5.23	-64.18
CC1=CC=C(NCCCNC(=O)N2CCCC2(C)C(=O)[O-])[NH+]=C1	REAL300012600078	1	47	0.0	-75.84	368.73	7.25	-68.59
CC1=CC=C(NCCCNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])[NH+]=C1	REAL300012600079	1	54	0.0	-78.15	445.16	7.75	-70.40
CC1=CC=C(NCCCNC(=O)N2CCCCCC2C(=O)[O-])[NH+]=C1	REAL300012600080	1	50	0.0	-78.89	375.75	8.34	-70.55
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2CC2)[NH+]=C1	REAL300012600081	1	44	0.0	-70.50	357.07	5.26	-65.24
CCCCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600082	1	49	0.0	-69.77	395.83	6.33	-63.44
CC1=CC=C(NCCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])[NH+]=C1	REAL300012600083	1	53	0.0	-58.47	432.17	10.38	-48.09
CC1=CC=C(NCCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])[NH+]=C1	REAL300012600084	1	47	0.0	-75.82	368.74	7.23	-68.59
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+]=C1	REAL300012600085	1	50	0.0	-56.77	387.11	8.17	-48.60
COCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600086	1	44	0.0	-71.44	364.69	3.03	-68.41
CCCCCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600087	1	52	0.0	-69.70	417.33	7.11	-62.59
CCC1CCC(NC(=O)NCCCNC2=CC=C(C)C=[NH+]2)(C(=O)[O-])CC1	REAL300012600088	1	56	0.0	-73.59	421.41	8.25	-65.34
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+]=C1	REAL300012600089	1	51	0.0	-57.23	395.53	6.50	-50.73
CC1=CC=C(NCCCNC(=O)N(C)C2(C(=O)[O-])CCCC2)[NH+]=C1	REAL300012600090	1	50	0.0	-76.34	378.29	7.60	-68.74
CC1=CC=C(NCCCNC(=O)N(C(C)C(=O)[O-])C2CC2)[NH+]=C1	REAL300012600091	1	47	0.0	-58.89	369.21	7.19	-51.70
CCC(C(=O)[O-])N(C(=O)NCCCNC1=CC=C(C)C=[NH+]1)C1CC1	REAL300012600092	1	50	0.0	-56.76	389.85	8.29	-48.47
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)[NH+]=C1	REAL300012600093	1	47	0.0	-73.20	400.95	7.29	-65.91
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)[NH+]=C1	REAL300012600094	1	47	0.0	-77.13	393.40	6.95	-70.18
CC1=CC=C(NCCCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])[NH+]=C1	REAL300012600095	1	51	0.0	-60.03	403.92	9.29	-50.74
CC1=CC=C(NCCCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])[NH+]=C1	REAL300012600096	1	50	0.0	-67.99	421.52	7.84	-60.15
CC1=CC=C(NCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])[NH+]=C1	REAL300012600097	1	56	0.0	-70.12	432.96	8.06	-62.06
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)[NH+]=C1	REAL300012600098	1	53	0.0	-56.11	421.73	10.18	-45.93
CC1=CC=C(C(NC(=O)NCCCNC2=CC=C(C)C=[NH+]2)C(=O)[O-])C=C1	REAL300012600099	1	50	0.0	-71.36	410.16	7.62	-63.74
CC1=CC=C(NCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]=C1	REAL300012600100	1	43	0.0	-63.83	367.94	5.51	-58.32
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)[NH+]=C1	REAL300012600101	1	53	0.0	-73.16	434.99	9.14	-64.02
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCSCC2)[NH+]=C1	REAL300012600102	1	48	0.0	-69.75	380.05	6.69	-63.06
COCC(C)(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600103	1	47	0.0	-74.15	375.22	4.44	-69.71
CCOCC(C(=O)[O-])N(C)C(=O)NCCCNC1=CC=C(C)C=[NH+]1	REAL300012600104	1	50	0.0	-67.02	395.47	6.27	-60.75
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]=C1	REAL300012600105	1	49	0.0	-56.83	386.68	7.66	-49.17
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCNC1=CC=C(C)C=[NH+]1	REAL300012600106	1	56	0.0	-53.83	429.93	10.13	-43.70
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])C2CC2)[NH+]=C1	REAL300012600107	1	44	0.0	-58.44	354.02	7.12	-51.32
CC1=CC=C(NCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[NH+]=C1	REAL300012600108	1	46	0.0	-56.99	390.39	7.73	-49.26
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCOC2)[NH+]=C1	REAL300012600109	1	45	0.0	-69.55	358.36	3.30	-66.25
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+]=C1	REAL300012600110	1	53	0.0	-71.27	405.91	7.07	-64.20
CC1=CC=C(NCCCNC(=O)N(C)C(COC2CCC2)C(=O)[O-])[NH+]=C1	REAL300012600111	1	54	0.0	-67.94	422.48	7.61	-60.33
CC1=CC=C(NCCCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)[NH+]=C1	REAL300012600112	1	54	0.0	-78.77	428.08	10.80	-67.97
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCOCC2)[NH+]=C1	REAL300012600113	1	48	0.0	-72.77	373.78	4.50	-68.27
C=CCCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600114	1	47	0.0	-69.48	387.15	6.11	-63.37
CC1=CC=C(NCCCNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])[NH+]=C1	REAL300012600115	1	53	0.0	-51.50	419.11	10.63	-40.87
CCC(CC)(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600116	1	49	0.0	-71.12	373.36	6.05	-65.07
COC1=CC=C(C(NC(=O)NCCCNC2=CC=C(C)C=[NH+]2)C(=O)[O-])C=C1	REAL300012600117	1	51	0.0	-71.19	418.51	6.16	-65.03
CCC(C)N(CC(=O)[O-])C(=O)NCCCNC1=CC=C(C)C=[NH+]1	REAL300012600118	1	49	0.0	-55.56	384.08	8.05	-47.51
CCC(COC)(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600119	1	50	0.0	-75.45	391.89	5.35	-70.10
CC1=CC=C(NCCCNC(=O)N(C)C(COC(C)C)C(=O)[O-])[NH+]=C1	REAL300012600120	1	53	0.0	-67.18	415.25	6.92	-60.26
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)[NH+]=C1	REAL300012600121	1	50	0.0	-74.49	398.89	2.99	-71.50
CC1=CC=C(NCCCNC(=O)NC(CC2CC2)C(=O)[O-])[NH+]=C1	REAL300012600122	1	47	0.0	-69.71	384.44	6.35	-63.36
COCCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600123	1	47	0.0	-69.29	385.68	3.86	-65.43
CC1=CC=C(NCCCNC(=O)N(C)C(CC(C)C)C(=O)[O-])[NH+]=C1	REAL300012600124	1	52	0.0	-67.31	402.01	8.36	-58.95
CC1=CC=C(NCCCNC(=O)NC(CC(F)F)C(=O)[O-])[NH+]=C1	REAL300012600125	1	43	0.0	-64.74	362.62	5.32	-59.42
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCNC1=CC=C(C)C=[NH+]1	REAL300012600126	1	53	0.0	-78.49	403.37	9.22	-69.27
CCCN(C(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(C)C(=O)[O-]	REAL300012600127	1	49	0.0	-66.14	382.50	7.44	-58.70
CC1=CC=C(NCCCNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])[NH+]=C1	REAL300012600128	1	53	0.0	-52.76	421.30	10.65	-42.11
CCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300012600129	1	53	0.0	-73.02	413.80	8.54	-64.48
COC1CCCC(C(NC(=O)NCCCNC2=CC=C(C)C=[NH+]2)C(=O)[O-])C1	REAL300012600130	1	57	0.0	-75.74	439.04	5.99	-69.75
CC1=CC=C(NCCCNC(=O)NC(CCF)C(=O)[O-])[NH+]=C1	REAL300012600131	1	43	0.0	-68.39	359.43	4.93	-63.46
COC1(CC(NC(=O)NCCCNC2=CC=C(C)C=[NH+]2)C(=O)[O-])CCC1	REAL300012600132	1	54	0.0	-71.53	422.93	6.20	-65.33
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+]=C1	REAL300012600133	1	51	0.0	-57.23	395.53	6.50	-50.73
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])C2CCCCC2)[NH+]=C1	REAL300012600134	1	53	0.0	-57.22	404.49	8.88	-48.34
CC1=CC=C(NCCCNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)[NH+]=C1	REAL300012600135	1	53	0.0	-73.98	396.15	7.39	-66.59
COC1=CC=CC(C(NC(=O)NCCCNC2=CC=C(C)C=[NH+]2)C(=O)[O-])=C1	REAL300012600136	1	51	0.0	-73.55	418.25	6.23	-67.32
CC1=CC=C(NCCCNC(=O)NC(C)(CCF)C(=O)[O-])[NH+]=C1	REAL300012600137	1	46	0.0	-66.80	363.57	5.29	-61.51
CC1=CC=C(NCCCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])[NH+]=C1	REAL300012600138	1	48	0.0	-61.95	386.35	7.48	-54.47
CC1=CC=C(NCCCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])[NH+]=C1	REAL300012600139	1	44	0.0	-70.34	366.75	6.44	-63.90
COC1=CC=CC([C@H](NC(=O)NCCCNC2=CC=C(C)C=[NH+]2)C(=O)[O-])=C1	REAL300012600140	1	51	0.0	-73.42	417.87	6.18	-67.24
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCNC2=CC=C(C)C=[NH+]2)C1	REAL300012600141	1	53	0.0	-77.93	417.62	8.57	-69.36
COC1=CC=CC(CC(NC(=O)NCCCNC2=CC=C(C)C=[NH+]2)C(=O)[O-])=C1	REAL300012600142	1	54	0.0	-70.39	440.47	7.16	-63.23
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)[NH+]=C1	REAL300012600143	1	56	0.0	-74.86	410.29	7.86	-67.00
CC1=CC=C(NCCCNC(=O)N2CC3CC2(C(=O)[O-])C3)[NH+]=C1	REAL300012600144	1	45	0.0	-81.44	358.90	7.33	-74.11
COC1CN(C(=O)NCCCNC2=CC=C(C)C=[NH+]2)C(C)(C(=O)[O-])C1	REAL300012600145	1	51	0.0	-75.92	401.98	6.23	-69.69
CC1=CC=C(NCCCNC(=O)NC(CC2CCCOC2)C(=O)[O-])[NH+]=C1	REAL300012600146	1	54	0.0	-69.47	423.99	5.69	-63.78
CC1=CC=C(NCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]=C1	REAL300012600147	1	49	0.0	-70.32	382.96	5.98	-64.34
C=C(Cl)CC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600148	1	44	0.0	-70.30	382.10	5.84	-64.46
C=C(C)CC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600149	1	47	0.0	-69.82	386.69	5.98	-63.84
CC1=CC=C(NCCCNC(=O)N2C3CCC2(C(=O)[O-])CC3)[NH+]=C1	REAL300012600150	1	48	0.0	-83.54	373.67	8.13	-75.41
CC1=CC=C(NCCCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])[NH+]=C1	REAL300012600151	1	53	0.0	-69.97	420.81	8.05	-61.92
CC1=CC=C(NCCCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])[NH+]=C1	REAL300012600152	1	44	0.0	-69.19	364.59	6.87	-62.32
CC1=CC=C(NCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+]=C1	REAL300012600153	1	44	0.0	-73.79	358.83	6.48	-67.31
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCNC2=CC=C(C)C=[NH+]2)C1	REAL300012600154	1	45	0.0	-76.24	365.77	6.77	-69.47
CC1=CC=C(NCCCNC(=O)NC(CC2CCOCC2)C(=O)[O-])[NH+]=C1	REAL300012600155	1	54	0.0	-70.86	424.06	5.67	-65.19
CC1=CC=C(NCCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]=C1	REAL300012600156	1	49	0.0	-69.78	391.28	6.19	-63.59
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+]=C1	REAL300012600157	1	51	0.0	-69.84	400.91	4.86	-64.98
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+]=C1	REAL300012600158	1	47	0.0	-71.28	388.74	6.94	-64.34
CC1=CC=C(NCCCNC(=O)NC(CC2CC2)C(=O)[O-])[NH+]=C1	REAL300012600159	1	47	0.0	-69.71	384.44	6.35	-63.36
CC1=CC=C(NCCCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])[NH+]=C1	REAL300012600160	1	46	0.0	-70.40	398.01	4.93	-65.47
CC1=CC=C(NCCCNC(=O)NC(CCCC(C)C)C(=O)[O-])[NH+]=C1	REAL300012600161	1	55	0.0	-69.65	434.90	7.62	-62.03
CC1=CC=C(NCCCNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])[NH+]=C1	REAL300012600162	1	53	0.0	-73.64	440.49	8.33	-65.31
CC1=CC=C(NCCCNC(=O)NC(CC2CCCO2)C(=O)[O-])[NH+]=C1	REAL300012600163	1	51	0.0	-74.40	409.02	5.18	-69.22
CSCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600164	1	44	0.0	-66.92	375.63	5.23	-61.69
COC[C@H](NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600165	1	44	0.0	-71.04	364.22	3.03	-68.01
CC1=CC=C(NCCCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])[NH+]=C1	REAL300012600166	1	50	0.0	-68.87	417.44	7.93	-60.94
CCC(C)CC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600167	1	52	0.0	-70.14	409.77	6.74	-63.40
C=CCCCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600168	1	50	0.0	-69.35	408.64	6.89	-62.46
CC1=CC=C(NCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])[NH+]=C1	REAL300012600169	1	50	0.0	-69.27	417.61	7.88	-61.39
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)[NH+]=C1	REAL300012600170	1	53	0.0	-75.71	429.90	9.02	-66.69
CC1=CC=C(NCCCNC(=O)N2CCSCC2C(=O)[O-])[NH+]=C1	REAL300012600171	1	45	0.0	-76.80	362.75	7.83	-68.97
CC1=CC=C(NCCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+]=C1	REAL300012600172	1	50	0.0	-72.12	396.79	7.64	-64.48
CC1=CC=C(NCCCNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+]=C1	REAL300012600173	1	44	0.0	-76.33	352.35	6.39	-69.94
CCCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600174	1	46	0.0	-69.83	374.33	5.55	-64.28
CC1=CC=C(NCCCNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+]=C1	REAL300012600175	1	46	0.0	-69.61	364.28	5.20	-64.41
CC1=CC=C(NCCCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])[NH+]=C1	REAL300012600176	1	48	0.0	-82.01	373.12	8.27	-73.74
CCN(C(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(C)(C)C(=O)[O-]	REAL300012600177	1	49	0.0	-73.14	377.56	7.58	-65.56
CCCN(C(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(C)C(=O)[O-]	REAL300012600178	1	49	0.0	-66.14	382.50	7.44	-58.70
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]=C1	REAL300012600179	1	43	0.0	-64.98	365.38	7.11	-57.87
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]=C1	REAL300012600180	1	43	0.0	-64.98	365.38	7.11	-57.87
CC1=CC=C(NCCCNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+]=C1	REAL300012600181	1	46	0.0	-73.11	358.07	6.67	-66.44
CC1=CC=C(NCCCNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+]=C1	REAL300012600182	1	44	0.0	-75.96	351.58	6.71	-69.25
CC1=CC=C(NCCCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])[NH+]=C1	REAL300012600183	1	56	0.0	-57.99	439.11	5.08	-52.91
CC1=CC=C(NCCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])[NH+]=C1	REAL300012600184	1	45	0.0	-78.04	363.61	3.00	-75.04
CC1=CC=C(NCCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N=C1	REAL300012600185	0	60	0.0	-61.31	458.83	6.62	-54.69
CC1=CC=C(NCCCNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])[NH+]=C1	REAL300012600186	1	51	0.0	-56.07	407.38	9.63	-46.44
CC1=CC=C(NCCCNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])[NH+]=C1	REAL300012600187	1	54	0.0	-61.90	415.46	9.85	-52.05
CCC[C@@H](NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600188	1	46	0.0	-69.38	374.09	5.62	-63.76
CC1=CC=C(NCCCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])[NH+]=C1	REAL300012600189	1	52	0.0	-68.79	408.80	8.02	-60.77
CC1=CC=C(NCCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+]=C1	REAL300012600190	1	47	0.0	-71.66	389.01	6.87	-64.79
CC1=CC=C(NCCCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])[NH+]=C1	REAL300012600191	1	52	0.0	-71.20	428.88	6.87	-64.33
C=CCCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600192	1	47	0.0	-69.48	387.15	6.11	-63.37
CC1=CC=C(NCCCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])[NH+]=C1	REAL300012600193	1	46	0.0	-67.38	397.20	4.81	-62.57
CC1=CC=C(NCCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])[NH+]=C1	REAL300012600194	1	47	0.0	-65.63	416.47	6.61	-59.02
CC1=CC=C(NCCCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])[NH+]=C1	REAL300012600195	1	47	0.0	-85.11	382.09	4.27	-80.84
CC1=CC=C(NCCCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])[NH+]=C1	REAL300012600196	1	48	0.0	-70.98	379.86	5.95	-65.03
CC1=CC=C(NCCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])[NH+]=C1	REAL300012600197	1	47	0.0	-75.79	368.69	7.25	-68.54
CC1=CC=C(NCCCNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+]=C1	REAL300012600198	1	46	0.0	-69.13	363.97	5.10	-64.03
CC1=CC=C(NCCCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)[NH+]=C1	REAL300012600199	1	47	0.0	-71.06	388.36	6.89	-64.17
CC1=CC=C(NCCCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])[NH+]=C1	REAL300012600200	1	50	0.0	-73.33	398.45	6.19	-67.14
CCC[C@H](NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600201	1	46	0.0	-69.22	373.50	5.57	-63.65
CCN(C(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(C)C(=O)[O-]	REAL300012600202	1	46	0.0	-65.82	360.54	6.63	-59.19
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+]=C1	REAL300012600203	1	50	0.0	-56.77	387.11	8.17	-48.60
CC1=CC=C(NCCCNC(=O)N(C)CC(C)C(=O)[O-])[NH+]=C1	REAL300012600204	1	46	0.0	-69.09	363.19	6.26	-62.83
CC[C@H](C)[C@H](NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600205	1	49	0.0	-70.77	384.08	5.75	-65.02
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCNC1=CC=C(C)C=[NH+]1	REAL300012600206	1	46	0.0	-66.63	363.26	6.78	-59.85
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CC(CO)C2)[NH+]=C1	REAL300012600207	1	48	0.0	-75.05	386.23	2.79	-72.26
CC1=CC=C(NCCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[NH+]=C1	REAL300012600208	1	56	0.0	-72.78	436.29	6.04	-66.74
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCC(C)C2)[NH+]=C1	REAL300012600209	1	50	0.0	-74.06	388.91	6.53	-67.53
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)[NH+]=C1	REAL300012600210	1	53	0.0	-74.92	396.77	7.14	-67.78
COCCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600211	1	47	0.0	-69.29	385.68	3.86	-65.43
CC1=CC=C(NCCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])[NH+]=C1	REAL300012600212	1	53	0.0	-68.38	420.34	9.83	-58.55
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)[NH+]=C1	REAL300012600213	1	50	0.0	-75.32	390.40	7.21	-68.11
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)[NH+]=C1	REAL300012600214	1	57	0.0	-77.04	437.97	9.23	-67.81
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2(C)CC2)[NH+]=C1	REAL300012600215	1	47	0.0	-71.57	374.29	6.13	-65.44
CC1=CC=C(NCCCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[NH+]=C1	REAL300012600216	1	56	0.0	-71.57	436.63	6.07	-65.50
CC1=CC=C(NCCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])[NH+]=C1	REAL300012600217	1	45	0.0	-82.04	362.29	3.18	-78.86
CC1=CC=C(NCCCNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])[NH+]=C1	REAL300012600218	1	55	0.0	-61.43	431.18	10.42	-51.01
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2CCOC2)[NH+]=C1	REAL300012600219	1	48	0.0	-68.35	387.37	3.93	-64.42
CC1=CC=C(NCCCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])[NH+]=C1	REAL300012600220	1	48	0.0	-80.14	373.53	7.84	-72.30
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)[NH+]=C1	REAL300012600221	1	51	0.0	-78.60	420.67	7.00	-71.60
CC1=CC=C(NCCCNC(=O)N2CC3CC2(C(=O)[O-])CO3)[NH+]=C1	REAL300012600222	1	46	0.0	-76.98	366.20	5.52	-71.46
CC1=CC=C(NCCCNC(=O)N2CC(C)CCC2C(=O)[O-])[NH+]=C1	REAL300012600223	1	50	0.0	-79.42	383.76	8.55	-70.87
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)[NH+]=C1	REAL300012600224	1	53	0.0	-70.17	426.47	8.14	-62.03
CC1=CC=C(NCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])[NH+]=C1	REAL300012600225	1	54	0.0	-69.35	420.83	8.66	-60.69
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2CCC2)[NH+]=C1	REAL300012600226	1	47	0.0	-71.00	372.97	5.67	-65.33
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)[NH+]=C1	REAL300012600227	1	60	0.0	-72.35	446.09	7.55	-64.80
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+]=C1	REAL300012600228	1	53	0.0	-71.27	405.91	7.07	-64.20
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2CCC2)[NH+]=C1	REAL300012600229	1	47	0.0	-71.00	372.97	5.67	-65.33
CC1=CC=C(NCCCNC(=O)N2CCC(C)C2C(=O)[O-])[NH+]=C1	REAL300012600230	1	47	0.0	-76.96	367.77	6.86	-70.10
C=CCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600231	1	44	0.0	-69.41	366.15	5.23	-64.18
CC1=CC=C(NCCCNC(=O)NC(CC2CCCCO2)C(=O)[O-])[NH+]=C1	REAL300012600232	1	54	0.0	-69.80	425.07	6.53	-63.27
CC1=CC=C(NCCCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)[NH+]=C1	REAL300012600233	1	54	0.0	-53.75	398.58	8.51	-45.24
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)[NH+]=C1	REAL300012600234	1	54	0.0	-73.63	402.88	5.81	-67.82
CC1=CC=C(NCCCNC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])[NH+]=C1	REAL300012600235	1	54	0.0	-84.90	416.95	10.33	-74.57
CC1=CC=C(NCCCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])[NH+]=C1	REAL300012600236	1	48	0.0	-55.73	374.62	7.72	-48.01
CC1=CC=C(NCCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])[NH+]=C1	REAL300012600237	1	54	0.0	-69.35	420.83	8.66	-60.69
CC1=CC=C(NCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])[NH+]=C1	REAL300012600238	1	50	0.0	-72.74	417.65	7.86	-64.88
COC1CC(NC(=O)NCCCNC2=CC=C(C)C=[NH+]2)(C(=O)[O-])C1	REAL300012600239	1	48	0.0	-70.87	385.57	4.37	-66.50
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)[NH+]=C1	REAL300012600240	1	44	0.0	-72.75	362.39	5.53	-67.22
CO[C@H]1C[C@](NC(=O)NCCCNC2=CC=C(C)C=[NH+]2)(C(=O)[O-])C1	REAL300012600241	1	48	0.0	-70.85	385.55	4.37	-66.48
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)[NH+]=C1	REAL300012600242	1	47	0.0	-72.17	392.96	6.55	-65.62
CCC1(C(=O)[O-])CCCN1C(=O)NCCCNC1=CC=C(C)C=[NH+]1	REAL300012600243	1	50	0.0	-76.75	384.49	8.40	-68.35
CC1=CC=C(NCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]=C1	REAL300012600244	1	43	0.0	-63.83	367.94	5.51	-58.32
CC1=CC=C(NCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+]=C1	REAL300012600245	1	51	0.0	-69.88	407.73	4.85	-65.03
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])COC2)[NH+]=C1	REAL300012600246	1	42	0.0	-68.49	344.79	2.54	-65.95
CC1=CC=C(NCCCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])[NH+]=C1	REAL300012600247	1	47	0.0	-68.86	403.22	6.86	-62.00
COCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300012600248	1	54	0.0	-71.46	429.76	6.84	-64.62
CC1=CC=C(NCCCNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+]=C1	REAL300012600249	1	49	0.0	-70.51	371.90	5.79	-64.72
CC1=CC=C(NCCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])[NH+]=C1	REAL300012600250	1	45	0.0	-79.24	357.66	7.82	-71.42
CC1=CC=C(NCCCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])[NH+]=C1	REAL300012600251	1	48	0.0	-77.90	374.84	7.46	-70.44
CC1=CC=C(NCCCNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])[NH+]=C1	REAL300012600252	1	53	0.0	-52.76	421.30	10.65	-42.11
CC1=CC=C(NCCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])[NH+]=C1	REAL300012600253	1	56	0.0	-70.12	432.96	8.06	-62.06
CC1=CC=C(NCCCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])[NH+]=C1	REAL300012600254	1	53	0.0	-70.28	433.42	8.61	-61.67
CC1=CC=C(NCCCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])[NH+]=C1	REAL300012600255	1	53	0.0	-70.54	434.00	8.64	-61.90
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)[NH+]=C1	REAL300012600256	1	54	0.0	-71.64	414.46	7.56	-64.08
CC1=CC=C(NCCCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])[NH+]=C1	REAL300012600257	1	56	0.0	-70.56	433.19	8.00	-62.56
CC1=CC=C(NCCCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])[NH+]=C1	REAL300012600258	1	56	0.0	-70.54	433.21	7.99	-62.55
CC1=CC=C(NCCCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])[NH+]=C1	REAL300012600259	1	54	0.0	-54.85	413.46	8.67	-46.18
CC1=CC=C(NCCCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])[NH+]=C1	REAL300012600260	1	54	0.0	-78.24	409.07	8.47	-69.77
COC1=CC=C(CC(NC(=O)NCCCNC2=CC=C(C)C=[NH+]2)C(=O)[O-])C=C1	REAL300012600261	1	54	0.0	-72.31	440.76	7.10	-65.21
C=CCSCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600262	1	48	0.0	-66.95	409.91	6.69	-60.26
CC1=CC=C(NCCCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])[NH+]=C1	REAL300012600263	1	51	0.0	-69.96	431.87	8.26	-61.70
CCC(C(=O)[O-])N(CC)C(=O)NCCCNC1=CC=C(C)C=[NH+]1	REAL300012600264	1	49	0.0	-72.10	378.84	8.23	-63.87
COC1(C(NC(=O)NCCCNC2=CC=C(C)C=[NH+]2)C(=O)[O-])CCC1	REAL300012600265	1	51	0.0	-67.27	399.77	4.42	-62.85
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)[NH+]=C1	REAL300012600266	1	53	0.0	-74.15	414.76	7.83	-66.32
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)[NH+]=C1	REAL300012600267	1	54	0.0	-74.70	420.27	8.92	-65.78
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)[NH+]=C1	REAL300012600268	1	47	0.0	-70.18	387.92	6.40	-63.78
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)[NH+]=C1	REAL300012600270	1	59	0.0	-70.95	464.98	9.27	-61.68
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)[NH+]=C1	REAL300012600271	1	56	0.0	-70.86	448.97	8.87	-61.99
CC1=CC=C(NCCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+]=C1	REAL300012600272	1	44	0.0	-73.79	358.83	6.48	-67.31
CC1=CC=C(NCCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])[NH+]=C1	REAL300012600273	1	46	0.0	-55.28	367.66	7.52	-47.76
CC1=CC=C(NCCCNC(=O)N2CCC(C)(C)C2C(=O)[O-])[NH+]=C1	REAL300012600274	1	50	0.0	-77.99	387.74	7.34	-70.65
CCOC1=CC=C(C(NC(=O)NCCCNC2=CC=C(C)C=[NH+]2)C(=O)[O-])C=C1	REAL300012600275	1	54	0.0	-70.98	440.34	7.08	-63.90
CC1=CC=C(NCCCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])[NH+]=C1	REAL300012600276	1	54	0.0	-78.78	408.13	9.37	-69.41
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)[NH+]=C1	REAL300012600277	1	54	0.0	-71.40	431.34	8.92	-62.48
CC1=CC=C(NCCCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])[NH+]=C1	REAL300012600278	1	54	0.0	-76.03	431.42	7.91	-68.12
CC1=CC=C(NCCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])[NH+]=C1	REAL300012600279	1	50	0.0	-73.33	424.99	7.85	-65.48
CC1=CC=C(NCCCNC(=O)NC(CCC(C)C)C(=O)[O-])[NH+]=C1	REAL300012600280	1	52	0.0	-69.91	413.40	6.85	-63.06
CC1=CC=C(NCCCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])[NH+]=C1	REAL300012600281	1	51	0.0	-55.05	398.47	8.19	-46.86
CC1=CC=C(NCCCNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+]=C1	REAL300012600282	1	51	0.0	-69.88	407.73	4.85	-65.03
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCNC2=CC=C(C)C=[NH+]2)C1	REAL300012600283	1	48	0.0	-73.85	394.86	7.87	-65.98
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCCC3CC32)[NH+]=C1	REAL300012600284	1	51	0.0	-73.59	390.91	7.38	-66.21
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CCC3CC32)[NH+]=C1	REAL300012600285	1	48	0.0	-74.42	376.82	6.56	-67.86
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)[NH+]=C1	REAL300012600286	1	51	0.0	-74.03	396.48	7.13	-66.90
CC1=CC=C(NCCCNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])[NH+]=C1	REAL300012600287	1	53	0.0	-68.89	421.77	9.86	-59.03
CC1=CC=C(NCCCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)[NH+]=C1	REAL300012600288	1	57	0.0	-54.94	427.52	9.17	-45.77
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2CCCC2)[NH+]=C1	REAL300012600289	1	50	0.0	-70.56	389.16	6.34	-64.22
CO[C@H](C)[C@H](NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600290	1	47	0.0	-70.75	382.35	4.03	-66.72
CC1=CC=C(NCCCNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)[NH+]=C1	REAL300012600291	1	47	0.0	-76.78	375.85	6.53	-70.25
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+]=C1	REAL300012600292	1	50	0.0	-57.76	409.76	9.60	-48.16
CC1=CC=C(NCCCNC(=O)N2CC(C)(C)CC2C(=O)[O-])[NH+]=C1	REAL300012600293	1	50	0.0	-55.14	391.45	7.50	-47.64
CC1=CC=C(NCCCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])[NH+]=C1	REAL300012600294	1	47	0.0	-76.32	373.95	7.82	-68.50
CC1=CC=C(NCCCNC(=O)N2CCC(F)(F)C2C(=O)[O-])[NH+]=C1	REAL300012600295	1	44	0.0	-78.86	363.25	6.83	-72.03
CC1=CC=C(NCCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])[NH+]=C1	REAL300012600296	1	50	0.0	-72.74	417.65	7.86	-64.88
CC1=CC=C(NCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])[NH+]=C1	REAL300012600297	1	47	0.0	-69.95	402.10	6.74	-63.21
CC1=CC=C(NCCCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])[NH+]=C1	REAL300012600298	1	47	0.0	-68.70	380.77	7.37	-61.33
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)[NH+]=C1	REAL300012600299	1	51	0.0	-74.51	416.02	7.53	-66.98
CC1=CC=C(NCCCNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])[NH+]=C1	REAL300012600300	1	55	0.0	-74.71	439.85	9.17	-65.54
CC1=CC=C(NCCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])[NH+]=C1	REAL300012600301	1	47	0.0	-69.95	402.10	6.74	-63.21
CC1=CC=C(NCCCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])[NH+]=C1	REAL300012600302	1	51	0.0	-78.86	390.03	8.08	-70.78
COCCCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600303	1	50	0.0	-69.39	408.01	4.62	-64.77
CCCC(C(=O)[O-])N(C)C(=O)NCCCNC1=CC=C(C)C=[NH+]1	REAL300012600304	1	49	0.0	-66.73	384.75	7.55	-59.18
CCOCC(NC(=O)NCCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300012600305	1	47	0.0	-71.38	386.06	3.99	-67.39
CC1=CC=C(NCCCNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+]=C1	REAL300012600306	1	52	0.0	-70.41	403.67	7.18	-63.23
CC1=CC=C(NCCCNC(=O)NC(C(=O)[O-])C2CCCCO2)[NH+]=C1	REAL300012600307	1	51	0.0	-72.61	403.59	5.33	-67.28
CC1=CC=C(NCCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)[NH+]=C1	REAL300012600308	1	51	0.0	-73.26	406.95	8.04	-65.22
CC1=CC=C(NCCCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])[NH+]=C1	REAL300012600309	1	48	0.0	-77.93	374.29	6.27	-71.66
CC1=CC=C(NCCCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])[NH+]=C1	REAL300012600310	1	50	0.0	-68.61	394.58	7.69	-60.92
CC1=CC=C(NCCCNC(=O)NC(CCC#N)C(=O)[O-])[NH+]=C1	REAL300012600311	1	44	0.0	-70.11	372.84	5.30	-64.81
CC1=CC=C(NCCCNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])[NH+]=C1	REAL300012600312	1	53	0.0	-74.26	440.94	8.11	-66.15
CC1=CC=C(NCCCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)[NH+]=C1	REAL300012600313	1	47	0.0	-59.06	385.80	7.50	-51.56
CC1=CC=C(NCCCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])[NH+]=C1	REAL300012600314	1	58	0.0	-77.95	424.91	8.28	-69.67
CC1=CC=C(NCCCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])[NH+]=C1	REAL300012600315	1	49	0.0	-70.82	423.08	6.45	-64.37
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCNC2=CC=C(C)C=[NH+]2)C1	REAL300012600316	1	51	0.0	-76.86	407.43	6.37	-70.49
C=CC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600317	0	52	0.0	-79.26	426.83	9.53	-69.73
C=CC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600317	1	52	0.0	-81.87	428.65	9.53	-72.34
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600318	0	51	0.0	-66.33	417.32	10.94	-55.39
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600318	1	51	0.0	-63.28	414.69	10.81	-52.47
CC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600319	0	51	0.0	-81.95	412.07	8.92	-73.03
CC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600319	1	51	0.0	-80.21	408.80	8.74	-71.47
O=C([O-])C1CCCCN1C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600320	0	52	0.0	-89.07	404.17	11.10	-77.97
O=C([O-])C1CCCCN1C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600320	1	52	0.0	-90.49	407.05	11.30	-79.19
O=C([O-])C1CCCN1C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600321	0	49	0.0	-90.35	398.13	9.87	-80.48
O=C([O-])C1CCCN1C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600321	1	49	0.0	-90.30	398.15	9.87	-80.43
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)CCCC1	REAL300012600322	0	52	0.0	-83.75	412.11	9.46	-74.29
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)CCCC1	REAL300012600322	1	52	0.0	-84.55	412.57	9.53	-75.02
O=C([O-])CNC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600323	0	42	0.0	-72.08	352.16	6.34	-65.74
O=C([O-])CNC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600323	1	42	0.0	-72.58	353.74	6.44	-66.14
CCC(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600324	0	48	0.0	-81.37	397.65	8.43	-72.94
CCC(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600324	1	48	0.0	-81.03	393.79	8.21	-72.82
CC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600325	0	51	0.0	-81.95	412.07	8.92	-73.03
CC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600325	1	51	0.0	-80.21	408.80	8.74	-71.47
CN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600326	0	45	0.0	-82.23	373.05	9.19	-73.04
CN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600326	1	45	0.0	-82.90	372.99	9.19	-73.71
CC(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600327	0	45	0.0	-73.59	376.06	7.36	-66.23
CC(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600327	1	45	0.0	-72.45	372.63	7.20	-65.25
CN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600328	0	45	0.0	-82.23	373.05	9.19	-73.04
CN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600328	1	45	0.0	-82.90	372.99	9.19	-73.71
O=C([O-])C1CCCCN1C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600329	0	52	0.0	-89.07	404.17	11.10	-77.97
O=C([O-])C1CCCCN1C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600329	1	52	0.0	-90.49	407.05	11.30	-79.19
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600330	0	51	0.0	-62.55	404.96	10.44	-52.11
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600330	1	51	0.0	-66.65	402.75	10.29	-56.36
O=C([O-])CN(C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C1CC1	REAL300012600331	0	49	0.0	-61.93	396.21	10.41	-51.52
O=C([O-])CN(C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C1CC1	REAL300012600331	1	49	0.0	-65.39	398.72	10.61	-54.78
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600332	0	49	0.0	-63.31	404.33	10.55	-52.76
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600332	1	49	0.0	-65.44	405.36	10.57	-54.87
CC(C)(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600333	0	48	0.0	-72.29	388.65	7.75	-64.54
CC(C)(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600333	1	48	0.0	-71.61	387.11	7.66	-63.95
CC(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)(C(=O)[O-])C1CC1	REAL300012600334	0	52	0.0	-80.39	408.26	9.32	-71.07
CC(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)(C(=O)[O-])C1CC1	REAL300012600334	1	52	0.0	-80.91	410.55	9.49	-71.42
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600335	0	51	0.0	-62.55	404.96	10.44	-52.11
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600335	1	51	0.0	-66.65	402.75	10.29	-56.36
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600336	0	51	0.0	-66.33	417.32	10.94	-55.39
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600336	1	51	0.0	-63.28	414.69	10.81	-52.47
CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600337	0	48	0.0	-82.15	394.33	10.10	-72.05
CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600337	1	48	0.0	-81.41	393.19	10.04	-71.37
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)CCCC1	REAL300012600338	0	52	0.0	-83.75	412.11	9.46	-74.29
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)CCCC1	REAL300012600338	1	52	0.0	-84.55	412.57	9.53	-75.02
CCC(C)(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600339	0	51	0.0	-79.74	400.96	8.72	-71.02
CCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600339	1	51	0.0	-79.00	398.76	8.56	-70.44
C[C@H](NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600340	0	45	0.0	-72.44	375.07	7.38	-65.06
C[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600340	1	45	0.0	-73.40	374.53	7.27	-66.13
CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600341	0	48	0.0	-82.15	394.33	10.10	-72.05
CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600341	1	48	0.0	-81.41	393.19	10.04	-71.37
C[C@@H](NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600342	0	45	0.0	-73.23	373.26	7.13	-66.10
C[C@@H](NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600342	1	45	0.0	-74.11	375.63	7.32	-66.79
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)CC1	REAL300012600343	0	46	0.0	-85.78	378.98	8.38	-77.40
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)CC1	REAL300012600343	1	46	0.0	-87.49	381.02	8.51	-78.98
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C1CC1	REAL300012600344	0	49	0.0	-83.25	403.85	8.84	-74.41
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C1CC1	REAL300012600344	1	49	0.0	-82.44	403.92	8.89	-73.55
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600345	0	49	0.0	-89.08	395.58	9.70	-79.38
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600345	1	49	0.0	-88.83	398.54	9.89	-78.94
O=C([O-])[C@H]1CCCCN1C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600346	0	52	0.0	-89.71	406.55	11.26	-78.45
O=C([O-])[C@H]1CCCCN1C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600346	1	52	0.0	-89.90	406.60	11.25	-78.65
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600347	0	48	0.0	-77.80	387.34	9.31	-68.49
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600347	1	48	0.0	-77.92	388.13	9.43	-68.49
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600348	0	49	0.0	-87.65	396.08	9.81	-77.84
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600348	1	49	0.0	-90.15	398.02	9.85	-80.30
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)CCC1	REAL300012600349	0	49	0.0	-85.85	395.74	8.90	-76.95
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)CCC1	REAL300012600349	1	49	0.0	-86.78	398.05	9.08	-77.70
C=CCC(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600350	0	49	0.0	-81.16	410.92	8.89	-72.27
C=CCC(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600350	1	49	0.0	-82.60	410.42	8.83	-73.77
CC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600351	0	52	0.0	-88.71	412.93	10.81	-77.90
CC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600351	1	52	0.0	-87.17	411.12	10.68	-76.49
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C1CC1	REAL300012600352	0	49	0.0	-83.25	403.85	8.84	-74.41
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C1CC1	REAL300012600352	1	49	0.0	-82.44	403.92	8.89	-73.55
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600353	0	48	0.0	-80.34	388.01	9.44	-70.90
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600353	1	48	0.0	-77.86	388.47	9.48	-68.38
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600354	0	52	0.0	-88.45	412.68	10.80	-77.65
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600354	1	52	0.0	-88.43	412.89	10.81	-77.62
COCC(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600355	0	49	0.0	-82.62	409.61	6.66	-75.96
COCC(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600355	1	49	0.0	-81.45	406.48	6.43	-75.02
CC(C(=O)[O-])N(C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C1CC1	REAL300012600356	0	52	0.0	-78.82	403.82	10.32	-68.50
CC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C1CC1	REAL300012600356	1	52	0.0	-78.48	406.07	10.44	-68.04
O=C([O-])CN(C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C1CC1	REAL300012600357	0	49	0.0	-61.93	396.21	10.41	-51.52
O=C([O-])CN(C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C1CC1	REAL300012600357	1	49	0.0	-65.39	398.72	10.61	-54.78
C=CCCC(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600358	0	52	0.0	-80.31	430.88	9.75	-70.56
C=CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600358	1	52	0.0	-79.57	428.69	9.59	-69.98
O=C([O-])C(CF)NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600359	0	45	0.0	-71.07	379.68	7.37	-63.70
O=C([O-])C(CF)NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600359	1	45	0.0	-69.66	376.24	7.21	-62.45
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600360	0	48	0.0	-80.34	388.01	9.44	-70.90
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600360	1	48	0.0	-77.86	388.47	9.48	-68.38
O=C([O-])C(CC1CC1)NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600361	0	52	0.0	-81.41	429.77	9.87	-71.54
O=C([O-])C(CC1CC1)NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600361	1	52	0.0	-80.83	425.39	9.77	-71.06
O=C([O-])C(CCF)NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600362	0	48	0.0	-80.15	403.41	8.50	-71.65
O=C([O-])C(CCF)NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600362	1	48	0.0	-78.85	400.97	8.40	-70.45
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600363	0	48	0.0	-79.06	387.84	9.42	-69.64
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600363	1	48	0.0	-77.77	388.17	9.43	-68.34
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600364	0	50	0.0	-92.75	400.67	10.72	-82.03
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600364	1	50	0.0	-94.64	403.20	10.89	-83.75
C=C(C)CC(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600365	0	52	0.0	-81.17	426.97	9.82	-71.35
C=C(C)CC(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600365	1	52	0.0	-80.88	427.64	9.41	-71.47
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)C1	REAL300012600366	0	50	0.0	-88.20	410.06	10.35	-77.85
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)C1	REAL300012600366	1	50	0.0	-87.24	410.10	10.37	-76.87
O=C([O-])C(CC1CC1)NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600367	0	52	0.0	-81.41	429.77	9.87	-71.54
O=C([O-])C(CC1CC1)NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600367	1	52	0.0	-80.83	425.39	9.77	-71.06
COC[C@H](NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600368	0	49	0.0	-84.09	409.28	6.60	-77.49
COC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600368	1	49	0.0	-83.82	408.22	6.52	-77.30
CC[C@H](NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600369	0	48	0.0	-83.61	397.90	8.37	-75.24
CC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600369	1	48	0.0	-81.69	395.53	8.30	-73.39
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600370	0	49	0.0	-89.08	395.58	9.70	-79.38
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600370	1	49	0.0	-88.83	398.54	9.89	-78.94
CCCC(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600371	0	51	0.0	-81.02	418.32	9.12	-71.90
CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600371	1	51	0.0	-79.73	415.88	9.02	-70.71
CC(C)[C@@H](NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600372	0	51	0.0	-81.99	408.50	8.78	-73.21
CC(C)[C@@H](NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600372	1	51	0.0	-83.22	414.18	8.95	-74.27
CN(C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(C)(C)C(=O)[O-]	REAL300012600373	0	51	0.0	-83.46	402.06	10.22	-73.24
CN(C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(C)(C)C(=O)[O-]	REAL300012600373	1	51	0.0	-85.27	402.36	10.23	-75.04
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600374	0	49	0.0	-87.65	396.08	9.81	-77.84
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600374	1	49	0.0	-90.15	398.02	9.85	-80.30
CCC[C@@H](NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600375	0	51	0.0	-81.06	418.32	9.13	-71.93
CCC[C@@H](NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600375	1	51	0.0	-81.30	417.86	9.06	-72.24
C=CCCC(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600376	0	52	0.0	-80.31	430.88	9.75	-70.56
C=CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600376	1	52	0.0	-79.57	428.69	9.59	-69.98
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600377	0	52	0.0	-87.83	413.28	10.81	-77.02
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600377	1	52	0.0	-86.90	413.32	10.84	-76.06
CC(C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600378	0	51	0.0	-79.22	408.95	8.73	-70.49
CC(C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600378	1	51	0.0	-81.34	407.49	8.59	-72.75
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600379	0	48	0.0	-79.06	387.84	9.42	-69.64
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600379	1	48	0.0	-77.77	388.17	9.43	-68.34
CCC[C@H](NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600380	0	51	0.0	-82.31	418.07	9.19	-73.12
CCC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600380	1	51	0.0	-80.15	417.82	9.15	-71.00
CCN(C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(C)C(=O)[O-]	REAL300012600381	0	51	0.0	-82.57	405.69	10.71	-71.86
CCN(C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(C)C(=O)[O-]	REAL300012600381	1	51	0.0	-81.90	407.28	10.81	-71.09
CC(CN(C)C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600382	0	51	0.0	-89.22	409.22	10.12	-79.10
CC(CN(C)C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600382	1	51	0.0	-84.96	408.10	9.86	-75.10
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600383	0	51	0.0	-80.21	407.20	10.50	-69.71
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600383	1	51	0.0	-79.58	407.49	10.51	-69.07
CC1(C(NC(=O)NC2CC[N@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)C(=O)[O-])CC1	REAL300012600384	0	52	0.0	-84.33	418.30	9.57	-74.76
CC1(C(NC(=O)NC2CC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)C(=O)[O-])CC1	REAL300012600384	1	52	0.0	-81.23	422.59	9.53	-71.70
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C1CCC1	REAL300012600385	0	52	0.0	-83.77	423.74	9.41	-74.36
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C1CCC1	REAL300012600385	1	52	0.0	-80.44	422.01	9.30	-71.14
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C1CCC1	REAL300012600386	0	52	0.0	-83.77	423.74	9.41	-74.36
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C1CCC1	REAL300012600386	1	52	0.0	-80.44	422.01	9.30	-71.14
CC1CCN(C(=O)NC2CC[N@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)C1C(=O)[O-]	REAL300012600387	0	52	0.0	-87.28	407.74	10.66	-76.62
CC1CCN(C(=O)NC2CC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)C1C(=O)[O-]	REAL300012600387	1	52	0.0	-91.18	418.54	10.44	-80.74
C=CCC(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600388	0	49	0.0	-81.16	410.92	8.89	-72.27
C=CCC(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600388	1	49	0.0	-82.60	410.42	8.83	-73.77
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)COC1	REAL300012600389	0	47	0.0	-80.15	386.43	5.96	-74.19
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)COC1	REAL300012600389	1	47	0.0	-79.41	389.23	6.08	-73.33
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600390	0	50	0.0	-90.27	401.33	11.30	-78.97
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600390	1	50	0.0	-92.33	403.69	11.48	-80.85
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600391	0	52	0.0	-83.15	408.78	9.43	-73.72
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600391	1	52	0.0	-87.33	418.25	9.94	-77.39
N#CCCC(NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600392	0	49	0.0	-82.90	417.67	8.86	-74.04
N#CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300012600392	1	49	0.0	-82.17	415.47	8.69	-73.48
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600393	0	48	0.0	-77.80	387.34	9.31	-68.49
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300012600393	1	48	0.0	-77.92	388.13	9.43	-68.49
CC(C)C[C@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600547	0	54	0.0	-68.67	409.38	8.81	-59.86
CC(C)C[C@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600547	1	54	0.0	-68.19	409.54	8.83	-59.36
C=CCOCC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600548	0	53	0.0	-69.38	419.58	8.06	-61.32
C=CCOCC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600548	1	53	0.0	-70.87	425.07	7.71	-63.16
C=CC(C)C(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600549	0	52	0.0	-70.77	398.63	9.00	-61.77
C=CC(C)C(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600549	1	52	0.0	-72.02	404.68	8.79	-63.23
O=C([O-])C(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300012600550	0	56	0.0	-69.79	422.99	8.32	-61.47
O=C([O-])C(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300012600550	1	56	0.0	-68.46	420.64	7.51	-60.95
COC1CCN(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012600551	0	56	0.0	-81.21	414.30	10.33	-70.88
COC1CCN(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012600551	1	56	0.0	-77.44	413.72	9.70	-67.74
O=C([O-])C(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1CCCOC1	REAL300012600552	0	56	0.0	-66.61	415.18	7.26	-59.35
O=C([O-])C(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C1CCCOC1	REAL300012600552	1	56	0.0	-67.07	418.63	7.56	-59.51
CC1CCN(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012600553	0	55	0.0	-80.50	397.80	11.58	-68.92
CC1CCN(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012600553	1	55	0.0	-74.99	401.35	10.96	-64.03
CC1=CC(C(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300012600554	0	55	0.0	-68.02	436.79	10.86	-57.16
CC1=CC(C(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300012600554	1	55	0.0	-68.16	440.74	10.72	-57.44
CC1=CC(C(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])=CC(C)=C1	REAL300012600555	0	58	0.0	-69.23	451.32	11.69	-57.54
CC1=CC(C(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])=CC(C)=C1	REAL300012600555	1	58	0.0	-70.23	457.22	11.40	-58.83
CC1=CC=C(C(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012600556	0	58	0.0	-69.28	446.95	11.57	-57.71
CC1=CC=C(C(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012600556	1	58	0.0	-71.83	452.41	11.22	-60.61
CC1=CC=CC(C(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012600557	0	58	0.0	-68.41	438.58	10.60	-57.81
CC1=CC=CC(C(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012600557	1	58	0.0	-68.91	437.80	10.68	-58.23
CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600558	0	51	0.0	-55.30	390.14	10.02	-45.28
CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600558	1	51	0.0	-55.28	390.07	10.02	-45.26
CC(C(=O)[O-])N(C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1CCC1	REAL300012600559	0	55	0.0	-56.49	397.91	10.81	-45.68
CC(C(=O)[O-])N(C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C1CCC1	REAL300012600559	1	55	0.0	-56.53	405.96	11.13	-45.40
CCCN(C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(COC)C(=O)[O-]	REAL300012600560	0	58	0.0	-69.81	433.20	10.96	-58.85
CCCN(C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(COC)C(=O)[O-]	REAL300012600560	1	58	0.0	-68.98	428.30	9.69	-59.29
CCCN(C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012600561	0	57	0.0	-68.47	418.35	11.64	-56.83
CCCN(C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012600561	1	57	0.0	-65.63	417.84	11.00	-54.63
CC(C)C(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600562	0	51	0.0	-67.27	384.09	8.57	-58.70
CC(C)C(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600562	1	51	0.0	-66.52	385.76	8.07	-58.45
O=C([O-])C1CCCCN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600563	0	52	0.0	-74.11	380.14	10.36	-63.75
O=C([O-])C1CCCCN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600563	1	52	0.0	-74.74	380.59	10.39	-64.35
O=C([O-])C1CSCCN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600564	0	50	0.0	-72.96	380.31	10.38	-62.58
O=C([O-])C1CSCCN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600564	1	50	0.0	-74.52	381.07	10.55	-63.97
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)CCCCC1	REAL300012600565	0	55	0.0	-73.62	402.49	10.48	-63.14
O=C([O-])C1(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)CCCCC1	REAL300012600565	1	55	0.0	-71.25	400.40	9.69	-61.56
O=C([O-])C1CCCN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600566	0	49	0.0	-73.01	370.16	9.06	-63.95
O=C([O-])C1CCCN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600566	1	49	0.0	-74.32	370.47	9.07	-65.25
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)CCCC1	REAL300012600567	0	52	0.0	-73.35	387.94	9.41	-63.94
O=C([O-])C1(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)CCCC1	REAL300012600567	1	52	0.0	-71.09	385.86	8.58	-62.51
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)CCCCCC1	REAL300012600568	0	58	0.0	-75.63	409.08	10.96	-64.67
O=C([O-])C1(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)CCCCCC1	REAL300012600568	1	58	0.0	-71.98	406.14	10.35	-61.63
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600569	0	55	0.0	-70.76	431.15	11.34	-59.42
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600569	1	55	0.0	-69.74	429.06	10.47	-59.27
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600570	0	55	0.0	-50.26	424.90	12.94	-37.32
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600570	1	55	0.0	-54.05	421.44	11.98	-42.07
O=C([O-])[C@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012600571	0	52	0.0	-68.46	406.89	9.52	-58.94
O=C([O-])[C@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012600571	1	52	0.0	-68.86	406.53	9.61	-59.25
O=C([O-])C(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012600572	0	52	0.0	-70.71	409.95	10.16	-60.55
O=C([O-])C(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012600572	1	52	0.0	-71.75	414.59	10.00	-61.75
CCC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600573	0	48	0.0	-68.54	372.97	8.28	-60.26
CCC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600573	1	48	0.0	-68.86	378.46	7.93	-60.93
CC(C)C(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600574	0	51	0.0	-67.27	384.09	8.57	-58.70
CC(C)C(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600574	1	51	0.0	-66.52	385.76	8.07	-58.45
CN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600575	0	45	0.0	-66.79	346.83	8.28	-58.51
CN(CC(=O)[O-])C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600575	1	45	0.0	-67.83	346.76	8.28	-59.55
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600576	0	55	0.0	-70.76	431.15	11.34	-59.42
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600576	1	55	0.0	-69.74	429.06	10.47	-59.27
CC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600577	0	45	0.0	-60.49	348.88	6.43	-54.06
CC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600577	1	45	0.0	-61.98	356.63	6.90	-55.08
CCC(C)C(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600578	0	54	0.0	-71.39	408.81	9.29	-62.10
CCC(C)C(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600578	1	54	0.0	-69.69	409.12	8.90	-60.79
CN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600579	0	45	0.0	-66.79	346.83	8.28	-58.51
CN(CC(=O)[O-])C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600579	1	45	0.0	-67.83	346.76	8.28	-59.55
O=C([O-])C1CCCCN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600580	0	52	0.0	-74.11	380.14	10.36	-63.75
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C=C(Cl)CC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600683	0	49	0.0	-70.09	402.94	9.20	-60.89
C=C(Cl)CC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600683	1	49	0.0	-64.25	406.69	9.10	-55.15
C=C(C)CC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600684	0	52	0.0	-68.42	406.82	9.47	-58.95
C=C(C)CC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600684	1	52	0.0	-68.92	411.36	9.29	-59.63
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600685	0	53	0.0	-78.11	389.31	10.81	-67.30
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600685	1	53	0.0	-80.60	391.58	10.83	-69.77
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600686	0	49	0.0	-67.92	382.70	9.55	-58.37
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600686	1	49	0.0	-67.17	382.67	9.54	-57.63
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600687	0	49	0.0	-72.06	376.20	9.46	-62.60
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600687	1	49	0.0	-71.08	376.68	9.17	-61.91
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300012600688	0	50	0.0	-75.12	385.94	10.22	-64.90
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300012600688	1	50	0.0	-73.28	383.90	9.44	-63.84
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600689	0	59	0.0	-69.49	443.59	9.09	-60.40
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600689	1	59	0.0	-69.10	442.11	8.27	-60.83
CC(C)C[C@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600690	0	54	0.0	-68.67	409.38	8.81	-59.86
CC(C)C[C@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600690	1	54	0.0	-68.19	409.54	8.83	-59.36
O=C([O-])C(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300012600691	0	56	0.0	-69.79	422.99	8.32	-61.47
O=C([O-])C(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300012600691	1	56	0.0	-68.46	420.64	7.51	-60.95
O=C([O-])C(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012600692	0	52	0.0	-70.71	409.95	10.16	-60.55
O=C([O-])C(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012600692	1	52	0.0	-71.75	414.59	10.00	-61.75
O=C([O-])C(CC1CC1)NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600693	0	52	0.0	-67.48	401.49	9.01	-58.47
O=C([O-])C(CC1CC1)NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600693	1	52	0.0	-67.32	402.25	9.02	-58.30
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600694	0	51	0.0	-69.65	417.90	8.48	-61.17
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600694	1	51	0.0	-69.08	423.44	8.10	-60.98
CC(C)CCCC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600695	0	60	0.0	-67.53	454.20	11.11	-56.42
CC(C)CCCC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600695	1	60	0.0	-66.79	452.46	10.37	-56.42
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600696	0	56	0.0	-71.40	426.90	7.83	-63.57
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600696	1	56	0.0	-67.23	425.25	8.32	-58.91
CSCC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600697	0	49	0.0	-64.47	395.77	8.71	-55.76
CSCC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600697	1	49	0.0	-66.44	402.16	8.27	-58.17
COC[C@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600698	0	49	0.0	-69.92	382.57	5.69	-64.23
COC[C@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600698	1	49	0.0	-69.29	382.75	5.72	-63.57
CC[C@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600699	0	48	0.0	-68.39	370.71	7.46	-60.93
CC[C@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600699	1	48	0.0	-67.85	370.89	7.48	-60.37
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600700	0	55	0.0	-66.51	435.31	10.60	-55.91
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600700	1	55	0.0	-67.48	435.49	10.62	-56.86
CCC(C)CC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600701	0	57	0.0	-69.57	429.78	10.29	-59.28
CCC(C)CC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600701	1	57	0.0	-69.43	435.07	9.86	-59.57
C=CCCCC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600702	0	55	0.0	-67.85	428.78	10.38	-57.47
C=CCCCC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600702	1	55	0.0	-66.34	426.21	9.63	-56.71
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600703	0	55	0.0	-67.09	434.67	10.54	-56.55
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600703	1	55	0.0	-66.61	435.18	10.61	-56.00
O=C([O-])C1CSCCN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600704	0	50	0.0	-72.96	380.31	10.38	-62.58
O=C([O-])C1CSCCN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600704	1	50	0.0	-74.52	381.07	10.55	-63.97
CC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012600705	0	55	0.0	-69.08	414.64	10.33	-58.75
CC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012600705	1	55	0.0	-71.72	422.53	10.80	-60.92
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600706	0	49	0.0	-76.96	373.41	9.68	-67.28
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600706	1	49	0.0	-74.28	370.42	9.07	-65.21
CCCC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600707	0	51	0.0	-68.86	394.23	9.09	-59.77
CCCC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600707	1	51	0.0	-67.41	392.14	8.23	-59.18
CC(C)[C@@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600708	0	51	0.0	-67.72	382.83	7.78	-59.94
CC(C)[C@@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600708	1	51	0.0	-68.84	387.68	8.03	-60.81
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600709	0	53	0.0	-78.58	391.09	10.93	-67.65
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600709	1	53	0.0	-82.25	393.23	11.83	-70.42
CCN(C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012600710	0	54	0.0	-69.21	394.67	10.20	-59.01
CCN(C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012600710	1	54	0.0	-70.10	395.32	10.20	-59.90
CCCN(C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012600711	0	54	0.0	-46.65	401.62	10.95	-35.70
CCCN(C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012600711	1	54	0.0	-46.12	402.04	11.10	-35.02
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600712	0	48	0.0	-63.91	377.97	10.33	-53.58
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600712	1	48	0.0	-63.05	385.15	9.81	-53.24
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600713	0	48	0.0	-63.91	377.97	10.33	-53.58
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600713	1	48	0.0	-63.05	385.15	9.81	-53.24
CN(C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012600714	0	51	0.0	-72.77	378.11	10.17	-62.60
CN(C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012600714	1	51	0.0	-70.63	376.05	9.37	-61.26
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600715	0	49	0.0	-74.25	370.50	9.07	-65.18
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600715	1	49	0.0	-75.84	371.58	10.15	-65.69
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600716	0	50	0.0	-78.76	383.35	6.46	-72.30
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600716	1	50	0.0	-76.56	381.60	5.68	-70.88
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600717	0	56	0.0	-45.46	420.87	12.77	-32.69
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600717	1	56	0.0	-48.43	430.61	12.88	-35.55
CCC[C@@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600718	0	51	0.0	-67.39	392.21	8.21	-59.18
CCC[C@@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600718	1	51	0.0	-67.89	391.90	8.29	-59.60
O=C([O-])[C@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012600719	0	52	0.0	-68.46	406.89	9.52	-58.94
O=C([O-])[C@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012600719	1	52	0.0	-68.86	406.53	9.61	-59.25
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600720	0	57	0.0	-71.00	449.25	10.30	-60.70
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600720	1	57	0.0	-71.03	454.74	9.95	-61.08
C=CCCC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600721	0	52	0.0	-69.72	407.98	9.47	-60.25
C=CCCC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600721	1	52	0.0	-67.68	404.71	8.85	-58.83
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600722	0	51	0.0	-73.49	418.82	8.10	-65.39
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600722	1	51	0.0	-64.53	415.60	7.53	-57.00
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600723	0	52	0.0	-86.73	402.48	7.52	-79.21
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600723	1	52	0.0	-82.79	399.97	6.87	-75.92
CN1CC(C(=O)[O-])N(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)CC1=O	REAL300012600724	0	53	0.0	-71.20	399.94	9.17	-62.03
CN1CC(C(=O)[O-])N(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)CC1=O	REAL300012600724	1	53	0.0	-67.73	397.38	8.63	-59.10
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600725	0	52	0.0	-72.68	386.87	9.92	-62.76
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600725	1	52	0.0	-74.38	388.96	10.71	-63.67
CC(C)[C@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600726	0	51	0.0	-67.32	381.83	7.76	-59.56
CC(C)[C@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600726	1	51	0.0	-66.24	385.07	8.01	-58.23
O=C([O-])[C@@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012600727	0	52	0.0	-69.32	406.84	9.52	-59.80
O=C([O-])[C@@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012600727	1	52	0.0	-67.76	406.17	9.56	-58.20
CC(CN1C=CC=N1)(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600728	0	55	0.0	-67.66	420.74	8.90	-58.76
CC(CN1C=CC=N1)(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600728	1	55	0.0	-70.57	428.48	9.34	-61.23
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600729	0	48	0.0	-65.82	364.00	9.11	-56.71
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600729	1	48	0.0	-64.31	361.67	8.51	-55.80
CCC[C@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600730	0	51	0.0	-68.36	392.21	8.22	-60.14
CCC[C@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600730	1	51	0.0	-67.41	392.13	8.22	-59.19
CCN(C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012600731	0	51	0.0	-66.43	379.59	9.38	-57.05
CCN(C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012600731	1	51	0.0	-65.69	379.69	9.41	-56.28
O=C([O-])CN(C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012600732	0	55	0.0	-54.55	404.97	10.83	-43.72
O=C([O-])CN(C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012600732	1	55	0.0	-52.90	404.93	10.83	-42.07
CC(CN(C)C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600733	0	51	0.0	-73.15	384.28	9.55	-63.60
CC(CN(C)C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600733	1	51	0.0	-73.03	381.24	9.18	-63.85
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600734	0	54	0.0	-67.79	400.30	8.39	-59.40
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600734	1	54	0.0	-67.13	400.47	8.41	-58.72
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600735	0	51	0.0	-65.94	383.39	10.27	-55.67
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600735	1	51	0.0	-64.77	381.61	9.48	-55.29
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C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600737	0	61	0.0	-70.10	453.41	8.74	-61.36
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600737	1	61	0.0	-68.30	450.52	8.70	-59.60
CC1CCC(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012600738	0	55	0.0	-70.93	406.92	9.12	-61.81
CC1CCC(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012600738	1	55	0.0	-70.33	406.21	9.22	-61.11
CC1(C)CCCC1(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600739	0	58	0.0	-71.95	418.55	10.71	-61.24
CC1(C)CCCC1(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600739	1	58	0.0	-70.08	416.19	9.93	-60.15
COCCC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600740	0	52	0.0	-68.74	406.64	7.34	-61.40
COCCC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600740	1	52	0.0	-68.75	404.31	6.52	-62.23
CN(C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012600741	0	58	0.0	-67.31	437.71	12.39	-54.92
CN(C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012600741	1	58	0.0	-68.77	439.94	12.97	-55.80
CC1(C)CC(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012600742	0	55	0.0	-71.35	407.85	9.87	-61.48
CC1(C)CC(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012600742	1	55	0.0	-72.65	408.51	9.89	-62.76
CC1(C(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012600743	0	52	0.0	-69.86	402.65	9.19	-60.67
CC1(C(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012600743	1	52	0.0	-69.16	399.53	8.55	-60.61
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600744	0	61	0.0	-70.91	457.00	9.48	-61.43
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600744	1	61	0.0	-69.49	454.54	8.74	-60.75
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CC1CCC(C(=O)[O-])N(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300012600749	0	55	0.0	-77.46	403.43	11.76	-65.70
CC1CCC(C(=O)[O-])N(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300012600749	1	55	0.0	-75.17	396.63	11.24	-63.93
CC(C1=CC=CC=C1)C(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600750	0	58	0.0	-67.33	446.50	11.63	-55.70
CC(C1=CC=CC=C1)C(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600750	1	58	0.0	-71.80	453.61	11.35	-60.45
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CC1CCN(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300012600755	1	52	0.0	-75.23	391.06	9.64	-65.59
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CC1(C)CC(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)(C(=O)[O-])CCO1	REAL300012600759	0	59	0.0	-73.47	423.76	9.13	-64.34
CC1(C)CC(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)(C(=O)[O-])CCO1	REAL300012600759	1	59	0.0	-72.96	423.02	9.27	-63.69
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COC1CC(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012600763	0	53	0.0	-70.81	406.78	7.65	-63.16
COC1CC(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012600763	1	53	0.0	-74.51	405.55	7.16	-67.35
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CO[C@H]1C[C@](NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012600765	0	53	0.0	-68.55	404.17	7.44	-61.11
CO[C@H]1C[C@](NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012600765	1	53	0.0	-68.91	403.89	7.43	-61.48
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CCC1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600767	0	55	0.0	-74.82	402.86	11.19	-63.63
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600767	1	55	0.0	-74.95	402.74	11.20	-63.75
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CC(C)C(C)(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600772	0	54	0.0	-69.61	394.79	9.13	-60.48
CC(C)C(C)(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600772	1	54	0.0	-67.56	389.68	8.46	-59.10
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600775	0	58	0.0	-46.17	438.31	13.37	-32.80
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600775	1	58	0.0	-47.25	437.17	13.36	-33.89
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C=CCSCC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600784	1	53	0.0	-66.38	436.43	9.73	-56.65
CCC(C(=O)[O-])N(CC)C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600785	0	54	0.0	-66.89	396.03	10.27	-56.62
CCC(C(=O)[O-])N(CC)C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600785	1	54	0.0	-66.43	395.89	10.29	-56.14
COC1(C(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])CCC1	REAL300012600786	0	56	0.0	-74.39	422.57	8.48	-65.91
COC1(C(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])CCC1	REAL300012600786	1	56	0.0	-67.03	421.30	7.87	-59.16
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)CC(C(F)F)C1	REAL300012600787	0	52	0.0	-78.41	406.81	9.63	-68.78
O=C([O-])C1(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)CC(C(F)F)C1	REAL300012600787	1	52	0.0	-75.13	403.82	9.03	-66.10
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600789	0	49	0.0	-72.06	376.20	9.46	-62.60
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600789	1	49	0.0	-71.08	376.68	9.17	-61.91
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600790	0	51	0.0	-47.06	385.00	10.75	-36.31
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600790	1	51	0.0	-51.35	386.79	10.13	-41.22
CC1(C)CCN(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300012600791	0	55	0.0	-77.88	405.94	10.96	-66.92
CC1(C)CCN(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300012600791	1	55	0.0	-73.26	404.05	10.31	-62.95
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600792	0	59	0.0	-79.77	423.90	12.95	-66.82
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600792	1	59	0.0	-52.10	435.47	11.95	-40.15
CC(C)CCC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600793	0	57	0.0	-68.59	433.53	10.34	-58.25
CC(C)CCC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600793	1	57	0.0	-68.50	431.21	9.53	-58.97
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600794	0	56	0.0	-48.69	425.27	11.37	-37.32
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600794	1	56	0.0	-50.39	416.66	10.86	-39.53
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O=C([O-])C(CC1CCOC1)NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600795	1	56	0.0	-67.47	425.51	7.53	-59.94
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300012600796	0	53	0.0	-71.90	412.54	10.52	-61.38
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300012600796	1	53	0.0	-70.80	412.69	10.56	-60.24
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)CCCC2CC21	REAL300012600797	0	56	0.0	-73.15	406.03	10.31	-62.84
O=C([O-])C1(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)CCCC2CC21	REAL300012600797	1	56	0.0	-73.05	406.00	10.32	-62.73
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)CCC2CC21	REAL300012600798	0	53	0.0	-71.80	393.04	9.45	-62.35
O=C([O-])C1(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)CCC2CC21	REAL300012600798	1	53	0.0	-70.89	394.67	9.20	-61.69
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)CC2(CCC2)C1	REAL300012600799	0	56	0.0	-76.14	423.82	10.66	-65.48
O=C([O-])C1(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)CC2(CCC2)C1	REAL300012600799	1	56	0.0	-73.12	417.70	10.60	-62.52
CN(C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012600800	0	58	0.0	-70.84	441.92	13.01	-57.83
CN(C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012600800	1	58	0.0	-68.56	445.96	12.95	-55.61
O=C([O-])C1CC2(CN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)CCCCC2	REAL300012600801	0	62	0.0	-45.78	447.63	12.64	-33.14
O=C([O-])C1CC2(CN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)CCCCC2	REAL300012600801	1	62	0.0	-47.27	454.42	12.32	-34.95
O=C([O-])C(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012600802	0	55	0.0	-69.83	409.13	9.85	-59.98
O=C([O-])C(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012600802	1	55	0.0	-68.74	406.81	9.05	-59.69
CO[C@H](C)[C@H](NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600803	0	52	0.0	-69.46	400.78	6.78	-62.68
CO[C@H](C)[C@H](NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600803	1	52	0.0	-68.65	400.64	6.72	-61.93
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600804	0	52	0.0	-72.30	388.00	9.31	-62.99
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600804	1	52	0.0	-75.43	401.08	9.62	-65.81
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600805	0	55	0.0	-50.26	424.90	12.94	-37.32
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600805	1	55	0.0	-54.05	421.44	11.98	-42.07
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300012600806	0	55	0.0	-46.15	411.55	10.96	-35.19
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300012600806	1	55	0.0	-51.36	410.08	10.12	-41.24
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600807	0	52	0.0	-77.33	394.52	11.12	-66.21
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600807	1	52	0.0	-74.78	392.58	10.78	-64.00
O=C([O-])C1N(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)CCC1(F)F	REAL300012600808	0	49	0.0	-80.98	383.99	9.98	-71.00
O=C([O-])C1N(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)CCC1(F)F	REAL300012600808	1	49	0.0	-78.08	381.97	9.21	-68.87
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600809	0	55	0.0	-66.15	437.77	11.18	-54.97
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600809	1	55	0.0	-68.35	443.24	11.01	-57.34
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600810	0	52	0.0	-67.83	421.41	10.23	-57.60
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600810	1	52	0.0	-67.97	419.88	9.39	-58.58
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600811	0	52	0.0	-75.61	402.21	10.76	-64.85
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600811	1	52	0.0	-74.95	401.31	10.94	-64.01
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600812	0	52	0.0	-67.83	421.41	10.23	-57.60
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600812	1	52	0.0	-67.97	419.88	9.39	-58.58
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600813	0	56	0.0	-75.31	408.52	10.56	-64.75
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600813	1	56	0.0	-76.57	407.24	10.52	-66.05
COCCCC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600814	0	55	0.0	-67.79	428.14	8.11	-59.68
COCCCC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600814	1	55	0.0	-66.80	425.81	7.29	-59.51
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600815	0	54	0.0	-64.92	403.69	10.36	-54.56
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600815	1	54	0.0	-66.32	405.41	10.84	-55.48
CCOCC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600816	0	52	0.0	-69.78	406.68	7.49	-62.29
CCOCC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600816	1	52	0.0	-70.50	412.17	7.14	-63.36
CC(C)(C)CC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600817	0	57	0.0	-69.10	423.82	10.66	-58.44
CC(C)(C)CC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600817	1	57	0.0	-68.51	421.33	9.90	-58.61
O=C([O-])C(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C1CCCCO1	REAL300012600818	0	56	0.0	-73.23	424.41	8.22	-65.01
O=C([O-])C(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C1CCCCO1	REAL300012600818	1	56	0.0	-71.58	423.69	8.80	-62.78
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)CC2=CC=CC=C2C1	REAL300012600819	0	56	0.0	-72.24	428.02	11.33	-60.91
O=C([O-])C1(NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)CC2=CC=CC=C2C1	REAL300012600819	1	56	0.0	-71.17	426.45	10.87	-60.30
C[C@H]1OCCN(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)[C@@H]1C(=O)[O-]	REAL300012600820	0	53	0.0	-76.71	391.71	9.43	-67.28
C[C@H]1OCCN(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)[C@@H]1C(=O)[O-]	REAL300012600820	1	53	0.0	-77.69	394.70	9.72	-67.97
N#CCCC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600821	0	49	0.0	-70.70	393.82	8.78	-61.92
N#CCCC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012600821	1	49	0.0	-70.64	391.49	7.96	-62.68
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600822	0	52	0.0	-51.33	406.57	11.08	-40.25
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600822	1	52	0.0	-57.56	417.05	10.86	-46.70
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300012600823	0	48	0.0	-64.28	361.74	8.51	-55.77
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300012600823	1	48	0.0	-65.51	368.97	8.87	-56.64
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300012600824	0	56	0.0	-72.48	427.06	10.02	-62.46
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300012600824	1	56	0.0	-73.16	424.87	9.34	-63.82
CC(C)C[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012600979	0	54	0.0	-72.20	409.32	8.84	-63.36
CC(C)C[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012600979	1	54	0.0	-71.21	405.59	9.46	-61.75
C=CCOCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012600980	0	53	0.0	-73.95	419.76	7.45	-66.50
C=CCOCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012600980	1	53	0.0	-72.44	420.52	8.15	-64.29
C=CC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012600981	0	52	0.0	-71.91	398.29	8.93	-62.98
C=CC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012600981	1	52	0.0	-72.93	400.62	9.24	-63.69
CC1C(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012600982	0	56	0.0	-75.66	417.62	7.46	-68.20
CC1C(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012600982	1	56	0.0	-70.55	417.50	7.50	-63.05
COC1CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C(C(=O)[O-])C1	REAL300012600983	0	56	0.0	-82.93	416.67	10.55	-72.38
COC1CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2C)C(C(=O)[O-])C1	REAL300012600983	1	56	0.0	-83.06	408.73	9.81	-73.25
CC1C(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012600984	0	56	0.0	-71.80	423.09	7.75	-64.05
CC1C(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012600984	1	56	0.0	-71.02	419.44	8.20	-62.82
CC1C(NC(=O)N2CCC(C)CC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012600985	0	55	0.0	-80.34	404.61	11.88	-68.46
CC1C(NC(=O)N2CCC(C)CC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012600985	1	55	0.0	-83.37	391.19	11.46	-71.91
CC1=CC(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])=CC=C1F	REAL300012600986	0	55	0.0	-70.38	436.00	10.43	-59.95
CC1=CC(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])=CC=C1F	REAL300012600986	1	55	0.0	-69.93	433.28	10.26	-59.67
CC1=CC(C)=CC(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])=C1	REAL300012600987	0	58	0.0	-73.67	452.15	11.06	-62.61
CC1=CC(C)=CC(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])=C1	REAL300012600987	1	58	0.0	-73.09	449.17	10.97	-62.12
CC1=CC=C(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])C=C1C	REAL300012600988	0	58	0.0	-74.13	447.74	10.93	-63.20
CC1=CC=C(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])C=C1C	REAL300012600988	1	58	0.0	-73.77	448.98	11.65	-62.12
CC1=CC=CC(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])=C1C	REAL300012600989	0	58	0.0	-72.89	433.18	11.11	-61.78
CC1=CC=CC(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])=C1C	REAL300012600989	1	58	0.0	-72.99	435.58	11.22	-61.77
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012600990	0	51	0.0	-56.65	392.57	10.22	-46.43
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012600990	1	51	0.0	-56.81	385.93	10.47	-46.34
CC(C(=O)[O-])N(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C1CCC1	REAL300012600991	0	55	0.0	-46.13	400.30	11.40	-34.73
CC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C1CCC1	REAL300012600991	1	55	0.0	-58.65	402.97	10.46	-48.19
CCCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(COC)C(=O)[O-]	REAL300012600992	0	58	0.0	-70.57	420.66	9.83	-60.74
CCCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(COC)C(=O)[O-]	REAL300012600992	1	58	0.0	-71.10	428.28	9.75	-61.35
CCCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(CC)C(=O)[O-]	REAL300012600993	0	57	0.0	-69.22	410.16	11.14	-58.08
CCCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(CC)C(=O)[O-]	REAL300012600993	1	57	0.0	-75.69	422.61	11.96	-63.73
CC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012600994	0	51	0.0	-72.27	385.26	7.99	-64.28
CC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012600994	1	51	0.0	-72.03	387.08	8.70	-63.33
CC1C(NC(=O)N2CCCCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012600995	0	52	0.0	-78.82	382.25	10.99	-67.83
CC1C(NC(=O)N2CCCCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012600995	1	52	0.0	-81.95	376.57	10.83	-71.12
CC1C(NC(=O)N2CCSCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012600996	0	50	0.0	-80.73	388.37	11.07	-69.66
CC1C(NC(=O)N2CCSCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012600996	1	50	0.0	-79.87	384.02	11.42	-68.45
CC1C(NC(=O)NC2(C(=O)[O-])CCCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012600997	0	55	0.0	-74.97	403.56	10.55	-64.42
CC1C(NC(=O)NC2(C(=O)[O-])CCCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012600997	1	55	0.0	-75.79	403.47	10.54	-65.25
CC1C(NC(=O)N2CCCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012600998	0	49	0.0	-72.13	365.64	9.30	-62.83
CC1C(NC(=O)N2CCCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012600998	1	49	0.0	-79.96	379.14	9.45	-70.51
CC1C(NC(=O)NC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012600999	0	52	0.0	-74.65	385.51	8.62	-66.03
CC1C(NC(=O)NC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012600999	1	52	0.0	-75.57	387.89	8.74	-66.83
CC1C(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601000	0	58	0.0	-75.91	413.43	11.12	-64.79
CC1C(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601000	1	58	0.0	-76.24	409.24	10.24	-66.00
CC1C(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601001	0	55	0.0	-72.31	431.14	11.08	-61.23
CC1C(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601001	1	55	0.0	-72.65	431.93	11.40	-61.25
CC1C(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601002	0	55	0.0	-58.08	429.64	12.86	-45.22
CC1C(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601002	1	55	0.0	-56.59	423.43	12.71	-43.88
CC1C(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601003	0	52	0.0	-72.10	406.60	9.64	-62.46
CC1C(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601003	1	52	0.0	-69.23	403.89	10.21	-59.02
CC1C(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601004	0	52	0.0	-72.87	414.79	10.06	-62.81
CC1C(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601004	1	52	0.0	-72.39	406.54	9.57	-62.82
CCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601005	0	48	0.0	-71.09	371.88	8.07	-63.02
CCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601005	1	48	0.0	-70.95	373.56	8.38	-62.57
CC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601006	0	51	0.0	-72.27	385.26	7.99	-64.28
CC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601006	1	51	0.0	-72.03	387.08	8.70	-63.33
CC1C(NC(=O)N(C)CC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601007	0	45	0.0	-70.20	342.01	8.60	-61.60
CC1C(NC(=O)N(C)CC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601007	1	45	0.0	-72.23	350.08	9.16	-63.07
CC1C(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601008	0	55	0.0	-72.31	431.14	11.08	-61.23
CC1C(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601008	1	55	0.0	-72.65	431.93	11.40	-61.25
CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601009	0	45	0.0	-63.24	351.31	6.64	-56.60
CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601009	1	45	0.0	-63.52	352.56	7.35	-56.17
CCC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601010	0	54	0.0	-73.36	408.12	8.87	-64.49
CCC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601010	1	54	0.0	-71.25	403.97	9.31	-61.94
CC1C(NC(=O)N(C)CC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601011	0	45	0.0	-70.20	342.01	8.60	-61.60
CC1C(NC(=O)N(C)CC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601011	1	45	0.0	-72.23	350.08	9.16	-63.07
CC1C(NC(=O)N2CCCCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601012	0	52	0.0	-78.82	382.25	10.99	-67.83
CC1C(NC(=O)N2CCCCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601012	1	52	0.0	-81.95	376.57	10.83	-71.12
CCCC(C)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601013	0	54	0.0	-69.77	398.35	9.17	-60.60
CCCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601013	1	54	0.0	-71.77	400.02	9.49	-62.28
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601014	0	51	0.0	-54.23	384.24	9.87	-44.36
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601014	1	51	0.0	-55.97	386.30	10.04	-45.93
CC1C(NC(=O)N(CC(=O)[O-])C2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601015	0	49	0.0	-55.93	375.38	10.67	-45.26
CC1C(NC(=O)N(CC(=O)[O-])C2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601015	1	49	0.0	-55.95	367.13	10.08	-45.87
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601016	0	49	0.0	-54.90	388.91	10.31	-44.59
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601016	1	49	0.0	-57.50	381.91	10.57	-46.93
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601017	0	54	0.0	-54.41	412.01	10.81	-43.60
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601017	1	54	0.0	-56.03	401.86	11.00	-45.03
CC1C(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601018	0	56	0.0	-81.39	422.61	13.37	-68.02
CC1C(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601018	1	56	0.0	-78.96	414.17	12.89	-66.07
CC1C(NC(=O)NC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601019	0	48	0.0	-61.80	361.41	6.87	-54.93
CC1C(NC(=O)NC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601019	1	48	0.0	-61.08	369.38	7.37	-53.71
CC1C(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601020	0	52	0.0	-71.51	379.67	8.87	-62.64
CC1C(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601020	1	52	0.0	-72.73	384.04	8.60	-64.13
CC1C(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601021	0	49	0.0	-70.85	394.46	9.16	-61.69
CC1C(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601021	1	49	0.0	-70.55	405.72	9.20	-61.35
CC1C(NC(=O)NC2(C(=O)[O-])CCCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601022	0	55	0.0	-74.97	403.56	10.55	-64.42
CC1C(NC(=O)NC2(C(=O)[O-])CCCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601022	1	55	0.0	-75.79	403.47	10.54	-65.25
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601023	0	51	0.0	-54.23	384.24	9.87	-44.36
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601023	1	51	0.0	-55.97	386.30	10.04	-45.93
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601024	0	51	0.0	-56.65	392.57	10.22	-46.43
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601024	1	51	0.0	-56.81	385.93	10.47	-46.34
CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601025	0	48	0.0	-71.74	376.10	9.74	-62.00
CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601025	1	48	0.0	-72.30	364.43	9.71	-62.59
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601026	0	54	0.0	-73.24	404.37	8.59	-64.65
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601026	1	54	0.0	-72.43	398.95	9.09	-63.34
CC1C(NC(=O)NC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601027	0	52	0.0	-74.65	385.51	8.62	-66.03
CC1C(NC(=O)NC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601027	1	52	0.0	-75.57	387.89	8.74	-66.83
CC1C(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601028	0	55	0.0	-53.16	441.51	12.82	-40.34
CC1C(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601028	1	55	0.0	-54.64	429.88	12.78	-41.86
CCC(C)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601029	0	51	0.0	-70.71	376.86	8.41	-62.30
CCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601029	1	51	0.0	-71.42	378.53	8.73	-62.69
CC1C(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601030	0	56	0.0	-73.30	421.44	11.13	-62.17
CC1C(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601030	1	56	0.0	-74.72	426.11	10.80	-63.92
CC1C(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601031	0	55	0.0	-73.50	417.10	10.51	-62.99
CC1C(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601031	1	55	0.0	-72.40	414.36	10.34	-62.06
C[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601032	0	45	0.0	-59.43	344.18	6.76	-52.67
C[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601032	1	45	0.0	-63.15	344.51	6.91	-56.24
CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601033	0	48	0.0	-71.74	376.10	9.74	-62.00
CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601033	1	48	0.0	-72.30	364.43	9.71	-62.59
CCCCCCC(C)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601034	0	63	0.0	-71.67	463.28	11.11	-60.56
CCCCCCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601034	1	63	0.0	-71.95	464.52	11.82	-60.13
CC1C(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601035	0	58	0.0	-72.66	443.06	13.32	-59.34
CC1C(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601035	1	58	0.0	-72.25	440.97	13.27	-58.98
C[C@@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601036	0	45	0.0	-63.52	349.15	6.43	-57.09
C[C@@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601036	1	45	0.0	-63.20	348.64	6.47	-56.73
CC1C(NC(=O)NC2(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601037	0	46	0.0	-74.79	350.22	7.94	-66.85
CC1C(NC(=O)NC2(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601037	1	46	0.0	-77.20	358.28	8.53	-68.67
CC1C(NC(=O)N2CCOCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601038	0	50	0.0	-79.14	374.19	8.25	-70.89
CC1C(NC(=O)N2CCOCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601038	1	50	0.0	-77.84	374.56	8.81	-69.03
CC1C(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601039	0	58	0.0	-76.34	409.45	11.01	-65.33
CC1C(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601039	1	58	0.0	-77.66	416.95	11.49	-66.17
CC1C(NC(=O)NC(C(=O)[O-])C2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601040	0	49	0.0	-71.11	370.25	8.26	-62.85
CC1C(NC(=O)NC(C(=O)[O-])C2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601040	1	49	0.0	-71.92	374.70	8.43	-63.49
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CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601054	1	48	0.0	-69.51	356.97	8.79	-60.72
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CC1C(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601057	0	52	0.0	-77.31	388.57	10.49	-66.82
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CC1C(NC(=O)N(CC(=O)[O-])C2CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601058	0	55	0.0	-57.32	408.30	11.71	-45.61
CC1C(NC(=O)N(CC(=O)[O-])C2CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601058	1	55	0.0	-57.37	408.68	11.75	-45.62
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CC1C(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601067	1	56	0.0	-60.66	423.62	12.55	-48.11
CC1C(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601068	0	61	0.0	-72.81	458.95	11.19	-61.62
CC1C(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601068	1	61	0.0	-72.31	454.72	11.58	-60.73
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CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601069	1	58	0.0	-55.23	430.24	12.57	-42.66
CC1=CC=C(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])C=C1	REAL300012601070	0	55	0.0	-71.89	430.31	10.81	-61.08
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CC1C(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601071	0	48	0.0	-65.31	387.82	8.77	-56.54
CC1C(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601071	1	48	0.0	-65.37	389.49	9.09	-56.28
CC1C(NC(=O)NC2(C(=O)[O-])CCSCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601072	0	53	0.0	-70.96	397.75	9.35	-61.61
CC1C(NC(=O)NC2(C(=O)[O-])CCSCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601072	1	53	0.0	-72.13	401.15	10.23	-61.90
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COCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601073	1	52	0.0	-76.02	396.77	8.02	-68.00
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CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601075	0	54	0.0	-54.41	412.01	10.81	-43.60
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601075	1	54	0.0	-56.03	401.86	11.00	-45.03
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CC1C(NC(=O)N(CC(=O)[O-])C2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601076	1	49	0.0	-55.95	367.13	10.08	-45.87
CC1C(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601077	0	51	0.0	-57.01	410.70	10.60	-46.41
CC1C(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601077	1	51	0.0	-57.14	404.07	10.85	-46.29
CC1C(NC(=O)NC2(C(=O)[O-])CCOC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601078	0	50	0.0	-71.39	379.67	6.82	-64.57
CC1C(NC(=O)NC2(C(=O)[O-])CCOC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601078	1	50	0.0	-67.05	373.36	6.66	-60.39
CC1C(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601079	0	58	0.0	-73.82	425.57	10.39	-63.43
CC1C(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601079	1	58	0.0	-73.47	426.08	9.91	-63.56
CC1C(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601080	0	59	0.0	-71.01	442.70	10.45	-60.56
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CC1C(NC(=O)NC2(C(=O)[O-])CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601081	0	53	0.0	-74.05	391.47	7.20	-66.85
CC1C(NC(=O)NC2(C(=O)[O-])CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601081	1	53	0.0	-75.22	394.89	8.05	-67.17
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C=CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601082	1	52	0.0	-72.42	408.70	9.70	-62.72
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CC1C(NC(=O)NC(CF)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601083	1	45	0.0	-60.80	356.01	7.39	-53.41
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CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601085	0	48	0.0	-69.03	363.51	8.73	-60.30
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601085	1	48	0.0	-69.51	356.97	8.79	-60.72
CCC(CC)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601086	0	54	0.0	-71.65	391.19	8.74	-62.91
CCC(CC)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601086	1	54	0.0	-73.05	387.47	9.13	-63.92
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CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601088	0	54	0.0	-48.07	394.68	10.92	-37.15
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601088	1	54	0.0	-56.38	396.40	11.28	-45.10
CCC(COC)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601089	0	55	0.0	-76.59	411.77	8.60	-67.99
CCC(COC)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601089	1	55	0.0	-76.67	413.45	8.92	-67.75
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601090	0	58	0.0	-69.59	436.08	9.74	-59.85
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601090	1	58	0.0	-70.79	435.86	9.80	-60.99
CC1C(NC(=O)NC(CC2CC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601091	0	52	0.0	-70.67	402.32	9.00	-61.67
CC1C(NC(=O)NC(CC2CC2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601091	1	52	0.0	-72.13	410.32	9.40	-62.73
COCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601092	0	52	0.0	-70.50	406.15	7.18	-63.32
COCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601092	1	52	0.0	-72.53	407.82	7.50	-65.03
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601093	0	57	0.0	-69.41	422.86	11.71	-57.70
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601093	1	57	0.0	-68.79	427.52	11.43	-57.36
CC1C(NC(=O)NC(CC(F)F)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601094	0	48	0.0	-70.44	385.07	8.35	-62.09
CC1C(NC(=O)NC(CC(F)F)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601094	1	48	0.0	-72.40	386.74	8.66	-63.74
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601095	0	58	0.0	-81.06	427.55	12.84	-68.22
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601095	1	58	0.0	-77.41	423.62	11.83	-65.58
CCCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(C)C(=O)[O-]	REAL300012601096	0	54	0.0	-45.69	392.27	11.11	-34.58
CCCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(C)C(=O)[O-]	REAL300012601096	1	54	0.0	-51.01	392.93	10.93	-40.08
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601097	0	58	0.0	-46.28	430.46	13.35	-32.93
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601097	1	58	0.0	-49.56	431.42	13.43	-36.13
CCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012601098	0	58	0.0	-73.90	434.07	11.40	-62.50
CCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012601098	1	58	0.0	-73.71	431.34	11.23	-62.48
CC1C(NC(=O)NC(CCF)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601099	0	48	0.0	-70.58	379.49	7.87	-62.71
CC1C(NC(=O)NC(CCF)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601099	1	48	0.0	-71.21	380.74	8.58	-62.63
COC1(CC(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])CCC1	REAL300012601100	0	59	0.0	-73.69	438.06	9.19	-64.50
COC1(CC(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])CCC1	REAL300012601100	1	59	0.0	-73.09	444.04	8.97	-64.12
CC1C(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601101	0	56	0.0	-54.47	420.99	9.69	-44.78
CC1C(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601101	1	56	0.0	-54.57	420.93	9.67	-44.90
CC1C(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601102	0	58	0.0	-55.97	424.81	11.74	-44.23
CC1C(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601102	1	58	0.0	-53.99	430.29	12.08	-41.91
CC1C(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601103	0	58	0.0	-75.22	417.34	10.92	-64.30
CC1C(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601103	1	58	0.0	-75.05	415.97	10.66	-64.39
COC1=CC=CC(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])=C1	REAL300012601104	0	56	0.0	-75.10	438.21	9.05	-66.05
COC1=CC=CC(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])=C1	REAL300012601104	1	56	0.0	-74.04	435.47	8.89	-65.15
CC1C(NC(=O)NC(C)(CCF)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601105	0	51	0.0	-68.30	383.87	8.16	-60.14
CC1C(NC(=O)NC(C)(CCF)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601105	1	51	0.0	-68.74	385.12	8.87	-59.87
CC1C(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601106	0	53	0.0	-62.19	406.95	10.92	-51.27
CC1C(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601106	1	53	0.0	-59.94	406.85	10.34	-49.60
CC1C(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601107	0	49	0.0	-72.65	391.32	9.68	-62.97
CC1C(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601107	1	49	0.0	-74.01	380.83	9.58	-64.43
COC1=CC=CC([C@H](NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])=C1	REAL300012601108	0	56	0.0	-74.58	435.73	8.88	-65.70
COC1=CC=CC([C@H](NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2C)C(=O)[O-])=C1	REAL300012601108	1	56	0.0	-74.11	433.38	9.50	-64.61
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601109	0	48	0.0	-69.47	364.02	9.36	-60.11
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601109	1	48	0.0	-68.37	368.14	8.95	-59.42
CC1C(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601110	0	61	0.0	-77.75	424.22	11.00	-66.75
CC1C(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601110	1	61	0.0	-76.20	431.39	11.41	-64.79
CC1C(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601111	0	50	0.0	-84.51	379.88	10.12	-74.39
CC1C(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC[N@H+]1CC1=CC=CC=C1	REAL300012601111	1	50	0.0	-84.36	384.98	10.49	-73.87
COC1CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C(C)(C(=O)[O-])C1	REAL300012601112	0	56	0.0	-75.20	426.88	9.46	-65.74
COC1CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2C)C(C)(C(=O)[O-])C1	REAL300012601112	1	56	0.0	-78.10	416.42	9.50	-68.60
CC1C(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601113	0	59	0.0	-71.34	433.50	9.48	-61.86
CC1C(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601113	1	59	0.0	-70.85	448.75	8.81	-62.04
CC1C(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601114	0	54	0.0	-65.40	395.22	8.90	-56.50
CC1C(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC[N@H+]1CC1=CC=CC=C1	REAL300012601114	1	54	0.0	-73.87	397.74	8.99	-64.88
C=C(Cl)CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601115	0	49	0.0	-72.55	401.98	9.11	-63.44
C=C(Cl)CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601115	1	49	0.0	-71.63	402.82	9.45	-62.18
C=C(C)CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601116	0	52	0.0	-71.88	406.57	9.25	-62.63
C=C(C)CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601116	1	52	0.0	-71.88	408.25	9.58	-62.30
CC1C(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601117	0	53	0.0	-82.29	391.57	11.41	-70.88
CC1C(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC[N@H+]1CC1=CC=CC=C1	REAL300012601117	1	53	0.0	-87.55	387.42	11.23	-76.32
CC1C(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601118	0	49	0.0	-72.67	390.91	9.64	-63.03
CC1C(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601118	1	49	0.0	-72.52	391.09	9.62	-62.90
CC1C(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601119	0	49	0.0	-76.14	376.57	9.08	-67.06
CC1C(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601119	1	49	0.0	-76.41	384.87	9.55	-66.86
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C1	REAL300012601120	0	50	0.0	-78.53	386.47	9.65	-68.88
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2C)C1	REAL300012601120	1	50	0.0	-79.31	379.50	9.88	-69.43
CC1C(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601121	0	59	0.0	-73.61	444.61	8.48	-65.13
CC1C(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601121	1	59	0.0	-73.21	441.64	9.85	-63.36
CC(C)C[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601122	0	54	0.0	-72.20	409.32	8.84	-63.36
CC(C)C[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601122	1	54	0.0	-71.21	405.59	9.46	-61.75
CC1C(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601123	0	56	0.0	-75.66	417.62	7.46	-68.20
CC1C(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601123	1	56	0.0	-70.55	417.50	7.50	-63.05
CC1C(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601124	0	52	0.0	-72.87	414.79	10.06	-62.81
CC1C(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601124	1	52	0.0	-72.39	406.54	9.57	-62.82
CC1C(NC(=O)NC(CC2CC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601125	0	52	0.0	-70.67	402.32	9.00	-61.67
CC1C(NC(=O)NC(CC2CC2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601125	1	52	0.0	-72.13	410.32	9.40	-62.73
CC1C(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601126	0	51	0.0	-69.57	416.87	8.25	-61.32
CC1C(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601126	1	51	0.0	-72.91	419.32	8.58	-64.33
CC(C)CCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601127	0	60	0.0	-71.74	454.78	10.89	-60.85
CC(C)CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601127	1	60	0.0	-72.60	456.45	11.20	-61.40
CC1C(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601128	0	56	0.0	-72.49	428.27	9.26	-63.23
CC1C(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601128	1	56	0.0	-71.72	427.23	8.53	-63.19
CSCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601129	0	49	0.0	-69.05	396.19	8.48	-60.57
CSCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601129	1	49	0.0	-68.18	397.18	8.82	-59.36
COC[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601130	0	49	0.0	-67.52	377.88	6.01	-61.51
COC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601130	1	49	0.0	-72.15	381.94	5.73	-66.42
CC[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601131	0	48	0.0	-71.10	369.84	7.50	-63.60
CC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601131	1	48	0.0	-70.88	366.91	8.17	-62.71
CC1C(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601132	0	55	0.0	-70.64	435.26	10.64	-60.00
CC1C(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601132	1	55	0.0	-67.39	432.22	11.30	-56.09
CCC(C)CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601133	0	57	0.0	-72.92	430.08	9.66	-63.26
CCC(C)CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601133	1	57	0.0	-71.95	431.32	10.34	-61.61
C=CCCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601134	0	55	0.0	-70.54	427.69	10.18	-60.36
C=CCCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601134	1	55	0.0	-72.20	429.96	10.54	-61.66
CC1C(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601135	0	55	0.0	-66.30	430.79	10.86	-55.44
CC1C(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601135	1	55	0.0	-70.30	434.42	10.58	-59.72
CC1C(NC(=O)N2CCSCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601136	0	50	0.0	-80.73	388.37	11.07	-69.66
CC1C(NC(=O)N2CCSCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601136	1	50	0.0	-79.87	384.02	11.42	-68.45
CC1C(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601137	0	55	0.0	-73.50	417.10	10.51	-62.99
CC1C(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601137	1	55	0.0	-72.40	414.36	10.34	-62.06
CC1C(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601138	0	49	0.0	-78.75	371.50	8.99	-69.76
CC1C(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601138	1	49	0.0	-79.75	374.44	9.17	-70.58
CCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601139	0	51	0.0	-70.12	393.98	8.88	-61.24
CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601139	1	51	0.0	-72.62	395.89	9.13	-63.49
CC(C)[C@@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601140	0	51	0.0	-71.90	387.71	8.06	-63.84
CC(C)[C@@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601140	1	51	0.0	-66.89	382.85	8.75	-58.14
CC1C(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601141	0	53	0.0	-83.61	391.02	10.93	-72.68
CC1C(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601141	1	53	0.0	-84.25	395.33	11.89	-72.36
CCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(C)(C)C(=O)[O-]	REAL300012601142	0	54	0.0	-74.52	402.85	10.68	-63.84
CCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(C)(C)C(=O)[O-]	REAL300012601142	1	54	0.0	-74.22	395.07	10.23	-63.99
CCCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(C)C(=O)[O-]	REAL300012601143	0	54	0.0	-45.69	392.27	11.11	-34.58
CCCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(C)C(=O)[O-]	REAL300012601143	1	54	0.0	-51.01	392.93	10.93	-40.08
CC1C(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601144	0	48	0.0	-67.29	390.72	10.25	-57.04
CC1C(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC[N@H+]1CC1=CC=CC=C1	REAL300012601144	1	48	0.0	-67.59	379.05	10.22	-57.37
CC1C(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601145	0	48	0.0	-67.29	390.72	10.25	-57.04
CC1C(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC[N@H+]1CC1=CC=CC=C1	REAL300012601145	1	48	0.0	-67.59	379.05	10.22	-57.37
CC1C(NC(=O)N(C)C(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601146	0	51	0.0	-74.48	378.66	9.55	-64.93
CC1C(NC(=O)N(C)C(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601146	1	51	0.0	-75.14	383.41	9.82	-65.32
CC1C(NC(=O)N2CCC[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601147	0	49	0.0	-79.11	366.56	9.44	-69.67
CC1C(NC(=O)N2CCC[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601147	1	49	0.0	-78.09	367.46	9.66	-68.43
CC1C(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601148	0	50	0.0	-79.94	381.37	5.68	-74.26
CC1C(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601148	1	50	0.0	-81.27	389.23	6.17	-75.10
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601149	0	56	0.0	-53.81	426.91	13.29	-40.52
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601149	1	56	0.0	-54.24	427.23	12.38	-41.86
CCC[C@@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601150	0	51	0.0	-71.51	394.38	8.46	-63.05
CCC[C@@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601150	1	51	0.0	-67.44	389.04	8.98	-58.46
CC1C(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601151	0	52	0.0	-72.10	406.60	9.64	-62.46
CC1C(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601151	1	52	0.0	-69.23	403.89	10.21	-59.02
CC1C(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601152	0	57	0.0	-73.88	448.61	9.69	-64.19
CC1C(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601152	1	57	0.0	-73.18	449.84	10.42	-62.76
C=CCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601153	0	52	0.0	-71.51	407.21	9.05	-62.46
C=CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601153	1	52	0.0	-72.42	408.70	9.70	-62.72
CC1C(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601154	0	51	0.0	-74.68	417.86	7.74	-66.94
CC1C(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601154	1	51	0.0	-75.80	419.33	8.38	-67.42
CC1C(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601155	0	52	0.0	-89.36	407.26	7.37	-81.99
CC1C(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601155	1	52	0.0	-89.63	395.67	7.20	-82.43
CC1C(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601156	0	53	0.0	-72.12	397.03	8.65	-63.47
CC1C(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601156	1	53	0.0	-72.39	397.28	8.66	-63.73
CC1C(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601157	0	52	0.0	-78.68	385.09	10.50	-68.18
CC1C(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601157	1	52	0.0	-77.98	389.28	10.12	-67.86
CC(C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601158	0	51	0.0	-72.78	390.14	8.21	-64.57
CC(C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601158	1	51	0.0	-72.17	378.98	8.26	-63.91
CC1C(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601159	0	52	0.0	-67.63	402.15	9.85	-57.78
CC1C(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601159	1	52	0.0	-70.78	408.18	10.16	-60.62
CC1C(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601160	0	55	0.0	-74.70	418.74	9.07	-65.63
CC1C(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601160	1	55	0.0	-75.03	419.93	9.78	-65.25
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601161	0	48	0.0	-69.47	364.02	9.36	-60.11
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601161	1	48	0.0	-68.37	368.14	8.95	-59.42
CCC[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601162	0	51	0.0	-66.38	387.52	8.54	-57.84
CCC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601162	1	51	0.0	-70.58	391.14	8.26	-62.32
CCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(C)C(=O)[O-]	REAL300012601163	0	51	0.0	-73.18	384.07	10.16	-63.02
CCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(C)C(=O)[O-]	REAL300012601163	1	51	0.0	-69.03	379.43	9.41	-59.62
CC1C(NC(=O)N(CC(=O)[O-])C2CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601164	0	55	0.0	-57.32	408.30	11.71	-45.61
CC1C(NC(=O)N(CC(=O)[O-])C2CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601164	1	55	0.0	-57.37	408.68	11.75	-45.62
CC(CN(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601165	0	51	0.0	-71.85	377.13	9.27	-62.58
CC(CN(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601165	1	51	0.0	-77.62	384.92	9.40	-68.22
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601166	0	54	0.0	-73.24	404.37	8.59	-64.65
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601166	1	54	0.0	-72.43	398.95	9.09	-63.34
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601167	0	51	0.0	-69.56	380.97	9.47	-60.09
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601167	1	51	0.0	-68.31	379.22	10.28	-58.03
CC1C(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601168	0	53	0.0	-76.45	411.41	5.97	-70.48
CC1C(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601168	1	53	0.0	-75.89	403.88	5.48	-70.41
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601169	0	61	0.0	-74.03	454.67	8.76	-65.27
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601169	1	61	0.0	-72.68	448.91	9.08	-63.60
CC1CCC(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)(C(=O)[O-])C1	REAL300012601170	0	55	0.0	-75.29	408.60	9.41	-65.88
CC1CCC(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2C)(C(=O)[O-])C1	REAL300012601170	1	55	0.0	-75.21	403.05	9.87	-65.34
CC1C(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601171	0	58	0.0	-76.31	412.04	10.38	-65.93
CC1C(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC[N@H+]1CC1=CC=CC=C1	REAL300012601171	1	58	0.0	-76.27	422.00	10.30	-65.97
COCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601172	0	52	0.0	-70.50	406.15	7.18	-63.32
COCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601172	1	52	0.0	-72.53	407.82	7.50	-65.03
CC1C(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601173	0	58	0.0	-72.66	443.06	13.32	-59.34
CC1C(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601173	1	58	0.0	-72.25	440.97	13.27	-58.98
CC1C(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601174	0	55	0.0	-75.08	410.26	10.44	-64.64
CC1C(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601174	1	55	0.0	-77.29	411.18	10.74	-66.55
CC1C(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601175	0	52	0.0	-73.16	399.48	8.57	-64.59
CC1C(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601175	1	52	0.0	-74.38	394.00	8.85	-65.53
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601176	0	61	0.0	-72.64	450.28	9.11	-63.53
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601176	1	61	0.0	-73.84	454.81	8.73	-65.11
CC1C(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601177	0	50	0.0	-85.20	378.23	6.43	-78.77
CC1C(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601177	1	50	0.0	-79.61	377.11	6.55	-73.06
CC1C(NC(=O)NC(C(=O)[O-])C2CCOC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601178	0	53	0.0	-70.46	405.78	7.00	-63.46
CC1C(NC(=O)NC(C(=O)[O-])C2CCOC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601178	1	53	0.0	-73.50	401.06	7.40	-66.10
CC1C(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601179	0	53	0.0	-82.40	395.15	11.38	-71.02
CC1C(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601179	1	53	0.0	-82.47	393.88	10.65	-71.82
CC1C(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601180	0	51	0.0	-79.42	387.00	9.12	-70.30
CC1C(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC[N@H+]1CC1=CC=CC=C1	REAL300012601180	1	51	0.0	-79.73	386.78	8.37	-71.36
CC1C(NC(=O)N2CC(C)CCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601181	0	55	0.0	-81.92	409.22	11.73	-70.19
CC1C(NC(=O)N2CC(C)CCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601181	1	55	0.0	-79.99	403.96	11.19	-68.80
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601182	0	58	0.0	-72.08	446.72	11.08	-61.00
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601182	1	58	0.0	-73.70	449.55	11.80	-61.90
CC1C(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601183	0	59	0.0	-72.11	434.74	11.80	-60.31
CC1C(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601183	1	59	0.0	-72.30	435.93	11.84	-60.46
CC1C(NC(=O)NC(C(=O)[O-])C2CCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601184	0	52	0.0	-72.55	394.18	9.25	-63.30
CC1C(NC(=O)NC(C(=O)[O-])C2CCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601184	1	52	0.0	-72.41	392.66	8.59	-63.82
CC1C(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601185	0	58	0.0	-73.82	425.57	10.39	-63.43
CC1C(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601185	1	58	0.0	-73.47	426.08	9.91	-63.56
CC1C(NC(=O)NC(C(=O)[O-])C2CCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601186	0	52	0.0	-72.55	394.18	9.25	-63.30
CC1C(NC(=O)NC(C(=O)[O-])C2CCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601186	1	52	0.0	-72.41	392.66	8.59	-63.82
CC1CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C1C(=O)[O-]	REAL300012601187	0	52	0.0	-79.91	394.10	10.55	-69.36
CC1CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2C)C1C(=O)[O-]	REAL300012601187	1	52	0.0	-78.93	380.60	10.25	-68.68
C=CCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601188	0	49	0.0	-70.51	385.20	8.51	-62.00
C=CCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601188	1	49	0.0	-70.39	386.87	8.83	-61.56
CC1C(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601189	0	59	0.0	-70.52	446.03	10.15	-60.37
CC1C(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601189	1	59	0.0	-71.50	450.43	9.69	-61.81
CC1C(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601190	0	59	0.0	-44.22	415.82	11.94	-32.28
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CC1C(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601206	1	53	0.0	-80.30	400.71	10.66	-69.64
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CC1C(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601209	0	58	0.0	-73.02	454.27	11.48	-61.54
CC1C(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601209	1	58	0.0	-71.82	451.04	11.29	-60.53
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CC1C(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601210	1	58	0.0	-69.24	449.13	11.93	-57.31
CC1C(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601211	0	59	0.0	-74.37	432.47	10.37	-64.00
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CC1C(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601212	1	61	0.0	-67.96	447.82	11.40	-56.56
CC1C(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601213	0	61	0.0	-66.88	446.34	10.98	-55.90
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CC1C(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601214	0	59	0.0	-51.34	427.07	11.77	-39.57
CC1C(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601214	1	59	0.0	-51.68	434.45	12.15	-39.53
CC1C(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601215	0	59	0.0	-80.83	431.53	11.93	-68.90
CC1C(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601215	1	59	0.0	-80.99	430.47	12.02	-68.97
C=CCSCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601216	0	53	0.0	-69.29	431.12	9.47	-59.82
C=CCSCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601216	1	53	0.0	-69.02	432.13	10.25	-58.77
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CCC(C(=O)[O-])N(CC)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601217	1	54	0.0	-73.35	390.13	11.10	-62.25
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CC1C(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601219	0	52	0.0	-79.40	411.00	9.53	-69.87
CC1C(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601219	1	52	0.0	-79.13	403.62	9.03	-70.10
CC1C(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601221	0	49	0.0	-76.14	376.57	9.08	-67.06
CC1C(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601221	1	49	0.0	-76.41	384.87	9.55	-66.86
CC1C(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601222	0	51	0.0	-49.97	393.61	10.60	-39.37
CC1C(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601222	1	51	0.0	-53.83	388.00	11.15	-42.68
CC1C(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601223	0	55	0.0	-78.76	405.33	10.06	-68.70
CC1C(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601223	1	55	0.0	-78.84	409.24	10.80	-68.04
CC1C(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601224	0	59	0.0	-81.29	433.89	12.60	-68.69
CC1C(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601224	1	59	0.0	-79.49	427.02	12.85	-66.64
CC(C)CCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601225	0	57	0.0	-70.30	433.04	10.18	-60.12
CC(C)CCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601225	1	57	0.0	-72.77	434.95	10.43	-62.34
CC1C(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601226	0	56	0.0	-52.54	416.99	10.84	-41.70
CC1C(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601226	1	56	0.0	-50.89	418.62	11.01	-39.88
CC1C(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601227	0	56	0.0	-70.73	416.62	8.55	-62.18
CC1C(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601227	1	56	0.0	-69.97	428.57	8.73	-61.24
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CC1C(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601229	0	56	0.0	-74.59	411.19	10.23	-64.36
CC1C(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC[N@H+]1CC1=CC=CC=C1	REAL300012601229	1	56	0.0	-76.30	405.76	10.34	-65.96
CC1C(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601230	0	53	0.0	-75.36	396.70	9.35	-66.01
CC1C(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC[N@H+]1CC1=CC=CC=C1	REAL300012601230	1	53	0.0	-77.85	396.85	10.34	-67.51
CC1C(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601231	0	56	0.0	-77.19	422.74	10.20	-66.99
CC1C(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601231	1	56	0.0	-78.24	416.75	10.44	-67.80
CC1C(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601232	0	58	0.0	-72.62	435.21	13.18	-59.44
CC1C(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601232	1	58	0.0	-72.91	442.41	12.64	-60.27
CC1C(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601233	0	62	0.0	-52.48	440.78	12.11	-40.37
CC1C(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC[N@H+]1CC1=CC=CC=C1	REAL300012601233	1	62	0.0	-53.77	447.37	12.41	-41.36
CC1C(NC(=O)NC(C(=O)[O-])C2CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601234	0	55	0.0	-72.35	413.34	9.99	-62.36
CC1C(NC(=O)NC(C(=O)[O-])C2CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601234	1	55	0.0	-73.23	414.32	9.28	-63.95
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CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601236	0	52	0.0	-76.42	389.68	9.02	-67.40
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601236	1	52	0.0	-75.42	382.87	9.26	-66.16
CC1C(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601237	0	55	0.0	-58.08	429.64	12.86	-45.22
CC1C(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601237	1	55	0.0	-56.59	423.43	12.71	-43.88
CC1C(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601238	0	55	0.0	-49.79	417.81	10.60	-39.19
CC1C(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601238	1	55	0.0	-49.06	417.18	10.69	-38.37
CC1C(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601239	0	52	0.0	-79.45	394.11	10.66	-68.79
CC1C(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601239	1	52	0.0	-81.12	388.15	11.07	-70.05
CC1C(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601240	0	49	0.0	-83.20	389.74	9.61	-73.59
CC1C(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601240	1	49	0.0	-79.40	385.16	9.65	-69.75
CC1C(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601241	0	55	0.0	-75.00	437.69	10.82	-64.18
CC1C(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601241	1	55	0.0	-69.36	439.18	11.46	-57.90
CC1C(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601242	0	52	0.0	-71.91	421.99	10.00	-61.91
CC1C(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601242	1	52	0.0	-72.84	423.45	10.36	-62.48
CC1C(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601243	0	52	0.0	-74.87	401.08	10.73	-64.14
CC1C(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601243	1	52	0.0	-76.07	401.00	10.75	-65.32
CC1C(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601244	0	52	0.0	-71.91	421.99	10.00	-61.91
CC1C(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601244	1	52	0.0	-72.84	423.45	10.36	-62.48
CC1C(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601245	0	56	0.0	-80.93	410.32	10.91	-70.02
CC1C(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601245	1	56	0.0	-81.54	405.59	11.11	-70.43
COCCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601246	0	55	0.0	-70.36	427.05	7.91	-62.45
COCCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601246	1	55	0.0	-70.66	429.33	8.27	-62.39
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601247	0	54	0.0	-69.66	405.30	10.60	-59.06
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601247	1	54	0.0	-68.83	406.41	10.58	-58.25
CCOCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601248	0	52	0.0	-73.12	406.72	6.92	-66.20
CCOCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300012601248	1	52	0.0	-73.42	408.12	7.58	-65.84
CC1C(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601249	0	57	0.0	-71.29	423.55	10.44	-60.85
CC1C(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601249	1	57	0.0	-72.80	424.98	10.82	-61.98
CC1C(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601250	0	56	0.0	-74.71	421.91	8.05	-66.66
CC1C(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601250	1	56	0.0	-70.85	418.20	8.27	-62.58
CC1C(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601251	0	56	0.0	-73.30	421.44	11.13	-62.17
CC1C(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601251	1	56	0.0	-74.72	426.11	10.80	-63.92
CC1C(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601252	0	53	0.0	-80.76	400.07	9.47	-71.29
CC1C(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601252	1	53	0.0	-80.36	394.78	9.13	-71.23
CC1C(NC(=O)NC(CCC#N)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300012601253	0	49	0.0	-71.94	393.32	8.62	-63.32
CC1C(NC(=O)NC(CCC#N)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300012601253	1	49	0.0	-73.97	395.00	8.94	-65.03
CC1C(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC[N@@H+]1CC1=CC=CC=C1	REAL300012601254	0	52	0.0	-56.33	405.13	10.86	-45.47
CC1C(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC[N@H+]1CC1=CC=CC=C1	REAL300012601254	1	52	0.0	-56.83	411.20	10.67	-46.16
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C	REAL300012601255	0	48	0.0	-68.12	364.45	8.74	-59.38
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C	REAL300012601255	1	48	0.0	-68.14	369.22	9.01	-59.13
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C1	REAL300012601256	0	56	0.0	-75.59	427.13	10.26	-65.33
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2C)C1	REAL300012601256	1	56	0.0	-78.69	428.08	9.23	-69.46
CCN1C=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012601363	0	53	0.0	-69.93	415.58	5.96	-63.97
CN1C=C(Cl)C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012601620	0	50	0.0	-67.82	410.63	5.60	-62.22
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CN=N2)CC1	REAL300012602122	0	48	0.0	-64.05	381.05	4.52	-59.53
CC1=CC2=CC(CNC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])=CC=C2N1	REAL300012602383	0	57	0.0	-67.36	444.44	8.04	-59.32
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CSCCS2)CC1	REAL300012602956	0	52	0.0	-64.53	414.87	7.39	-57.14
CC1=CC=NC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012603188	0	52	0.0	-65.23	403.64	6.15	-59.08
CC1=CN=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012603387	0	52	0.0	-62.53	407.47	6.28	-56.25
C=CCOCC(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603483	0	49	0.0	-82.78	374.55	5.77	-77.01
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012603484	0	52	0.0	-83.88	371.86	5.83	-78.05
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012603485	0	48	0.0	-74.97	376.58	8.25	-66.72
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012603486	0	48	0.0	-74.81	386.47	8.70	-66.11
COC1CCN(C(=O)NC2CCCC([NH+](C)C)C2)C(C(=O)[O-])C1	REAL300012603487	0	52	0.0	-94.31	368.80	8.27	-86.04
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012603488	0	52	0.0	-75.21	374.97	6.02	-69.19
CC1CCN(C(=O)NC2CCCC([NH+](C)C)C2)C(C(=O)[O-])C1	REAL300012603489	0	51	0.0	-92.18	351.64	9.27	-82.91
CC1=CC(C(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])=CC=C1F	REAL300012603490	0	51	0.0	-78.32	390.81	8.74	-69.58
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012603491	0	53	0.0	-78.79	400.00	7.90	-70.89
CC1=CC(C)=CC(C(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])=C1	REAL300012603492	0	54	0.0	-79.50	406.29	9.41	-70.09
CC1=CC=C(C(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])C=C1C	REAL300012603493	0	54	0.0	-82.67	402.54	9.25	-73.42
COC1=CC=C(C(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])C=C1Cl	REAL300012603494	0	52	0.0	-78.43	409.64	7.90	-70.53
CC1=CC=CC(C(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])=C1C	REAL300012603495	0	54	0.0	-79.31	394.08	9.05	-70.26
COC1=CC=C(C(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])C=C1F	REAL300012603496	0	52	0.0	-78.66	399.83	7.42	-71.24
CC(C(=O)[O-])N(C(=O)NC1CCCC([NH+](C)C)C1)C1CCC1	REAL300012603497	0	51	0.0	-63.24	354.67	8.94	-54.30
CCCN(C(=O)NC1CCCC([NH+](C)C)C1)C(COC)C(=O)[O-]	REAL300012603498	0	54	0.0	-79.14	385.66	8.25	-70.89
CCCN(C(=O)NC1CCCC([NH+](C)C)C1)C(CC)C(=O)[O-]	REAL300012603499	0	53	0.0	-77.77	372.89	9.42	-68.35
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012603500	0	48	0.0	-75.34	380.80	8.57	-66.77
C[NH+](C)C1CCCC(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012603501	0	46	0.0	-90.53	337.82	8.97	-81.56
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012603502	0	51	0.0	-86.17	357.46	8.18	-77.99
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012603503	0	54	0.0	-85.08	367.52	8.42	-76.66
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012603504	0	51	0.0	-82.89	386.12	9.05	-73.84
C[NH+](C)C1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012603505	0	51	0.0	-58.58	384.86	10.79	-47.79
C[NH+](C)C1CCCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012603506	0	48	0.0	-81.86	364.12	8.04	-73.82
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012603507	0	48	0.0	-81.55	363.87	8.13	-73.42
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012603508	0	51	0.0	-82.89	386.12	9.05	-73.84
C[NH+](C)C1CCCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012603509	0	52	0.0	-94.39	376.12	11.22	-83.17
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012603510	0	45	0.0	-75.32	359.92	6.79	-68.53
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012603511	0	51	0.0	-86.17	357.46	8.18	-77.99
C[NH+](C)C1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012603512	0	51	0.0	-55.96	401.59	11.30	-44.66
C[NH+](C)C1CCCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012603513	0	55	0.0	-81.64	415.44	9.07	-72.57
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NC2CCCC([NH+](C)C)C2)=C1	REAL300012603514	0	59	0.0	-65.44	443.81	9.39	-56.05
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300012603515	0	48	0.0	-75.17	385.36	8.67	-66.50
C[NH+](C)C1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012603516	0	51	0.0	-56.15	391.27	10.85	-45.30
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012603517	0	52	0.0	-85.41	383.42	9.35	-76.06
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012603518	0	48	0.0	-81.67	374.95	8.21	-73.46
C[NH+](C)C1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012603519	0	51	0.0	-83.42	371.91	8.84	-74.58
CCCCCCC(C)(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603520	0	59	0.0	-82.04	418.07	9.43	-72.61
CN(C(=O)NC1CCCC([NH+](C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012603521	0	54	0.0	-79.16	394.94	10.91	-68.25
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012603522	0	48	0.0	-75.34	380.80	8.57	-66.77
CN(C(=O)NC1CCCC([NH+](C)C)C1)C1(C(=O)[O-])CCCCC1	REAL300012603523	0	54	0.0	-84.19	366.71	9.49	-74.70
C[NH+](C)C1CCCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012603524	0	54	0.0	-59.42	407.27	11.55	-47.87
CN(C(=O)NC1CCCC([NH+](C)C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012603525	0	51	0.0	-78.49	371.05	9.62	-68.87
COCCN(CC(=O)[O-])C(=O)NC1CCCC([NH+](C)C)C1	REAL300012603526	0	48	0.0	-58.87	357.24	6.97	-51.90
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012603527	0	52	0.0	-84.76	378.80	9.15	-75.61
C[NH+](C)C1CCCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012603528	0	55	0.0	-84.61	424.70	8.51	-76.10
C[NH+](C)C1CCCC(NC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012603529	0	51	0.0	-87.60	352.71	9.73	-77.87
C[NH+](C)C1CCCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012603530	0	54	0.0	-59.42	407.27	11.55	-47.87
C[NH+](C)C1CCCC(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012603531	0	51	0.0	-60.11	356.15	9.13	-50.98
CCCCCC(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603532	0	53	0.0	-80.27	392.19	8.36	-71.91
CCC1CCC(NC(=O)NC2CCCC([NH+](C)C)C2)(C(=O)[O-])CC1	REAL300012603533	0	57	0.0	-86.17	396.51	9.43	-76.74
C[NH+](C)C1CCCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012603534	0	52	0.0	-57.78	370.65	7.67	-50.11
CN(C(=O)NC1CCCC([NH+](C)C)C1)C1(C(=O)[O-])CCCC1	REAL300012603535	0	51	0.0	-88.98	353.79	8.88	-80.10
CCC(C(=O)[O-])N(C(=O)NC1CCCC([NH+](C)C)C1)C1CC1	REAL300012603536	0	51	0.0	-62.11	364.68	9.44	-52.67
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012603537	0	48	0.0	-83.54	376.79	8.50	-75.04
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012603538	0	48	0.0	-87.09	368.31	8.18	-78.91
C[NH+](C)C1CCCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012603539	0	52	0.0	-63.10	379.35	10.37	-52.73
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012603540	0	51	0.0	-82.75	400.26	9.26	-73.49
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012603541	0	57	0.0	-86.66	429.79	11.10	-75.56
C[NH+](C)C1CCCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012603542	0	57	0.0	-77.89	408.03	9.25	-68.64
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CCCC([NH+](C)C)C1	REAL300012603543	0	54	0.0	-57.45	392.51	10.86	-46.59
CC1=CC=C(C(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])C=C1	REAL300012603544	0	51	0.0	-78.57	384.88	8.76	-69.81
C[NH+](C)C1CCCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012603545	0	44	0.0	-74.02	343.63	6.75	-67.27
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012603546	0	54	0.0	-83.10	409.83	10.40	-72.70
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012603547	0	49	0.0	-81.69	355.09	7.85	-73.84
COCC(C)(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603548	0	48	0.0	-85.88	350.32	5.63	-80.25
CCOCC(C(=O)[O-])N(C)C(=O)NC1CCCC([NH+](C)C)C1	REAL300012603549	0	51	0.0	-76.74	370.93	7.37	-69.37
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CCCC([NH+](C)C)C1	REAL300012603550	0	57	0.0	-52.72	411.69	11.56	-41.16
C[NH+](C)C1CCCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012603551	0	47	0.0	-57.99	365.50	8.93	-49.06
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012603552	0	54	0.0	-77.20	383.73	8.39	-68.81
CN(C(=O)NC1CCCC([NH+](C)C)C1)C(COC1CCC1)C(=O)[O-]	REAL300012603553	0	55	0.0	-77.12	398.09	8.77	-68.35
C[NH+](C)C1CCCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012603554	0	55	0.0	-88.70	407.55	11.56	-77.14
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012603555	0	49	0.0	-85.06	348.88	5.70	-79.36
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCCC([NH+](C)C)C1	REAL300012603556	0	54	0.0	-52.50	388.99	11.46	-41.04
COC1=CC=C(C(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])C=C1	REAL300012603557	0	52	0.0	-78.34	392.96	7.38	-70.96
CCC(COC)(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603558	0	51	0.0	-87.61	366.76	6.54	-81.07
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CCCC([NH+](C)C)C1	REAL300012603559	0	54	0.0	-76.50	390.60	8.02	-68.48
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012603560	0	51	0.0	-86.65	374.00	4.17	-82.48
COCCC(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603561	0	48	0.0	-80.71	361.61	5.03	-75.68
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CCCC([NH+](C)C)C1	REAL300012603562	0	53	0.0	-75.57	376.76	9.35	-66.22
C[NH+](C)C1CCCC(NC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012603563	0	44	0.0	-79.86	340.04	6.32	-73.54
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CCCC([NH+](C)C)C1	REAL300012603564	0	54	0.0	-88.48	378.42	10.38	-78.10
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCCC([NH+](C)C)C1	REAL300012603565	0	54	0.0	-51.54	393.44	11.49	-40.05
CCC(NC(=O)NC1CCCC([NH+](C)C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012603566	0	54	0.0	-80.93	405.60	10.24	-70.69
CCC(NC(=O)NC1CCCC([NH+](C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012603567	0	54	0.0	-84.42	388.87	9.72	-74.70
COC1CCCC(C(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])C1	REAL300012603568	0	58	0.0	-86.36	413.45	7.27	-79.09
COC1(CC(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])CCC1	REAL300012603569	0	55	0.0	-80.22	398.34	7.34	-72.88
C[NH+](C)C1CCCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012603570	0	52	0.0	-57.78	370.65	7.67	-50.11
C[NH+](C)C1CCCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012603571	0	54	0.0	-57.36	379.60	10.06	-47.30
C[C@H]1CC[C@@](NC(=O)NC2CCCC([NH+](C)C)C2)(C(=O)[O-])CC1	REAL300012603572	0	54	0.0	-84.50	375.69	8.15	-76.35
COC1=CC=CC(C(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])=C1	REAL300012603573	0	52	0.0	-84.09	393.38	7.42	-76.67
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300012603574	0	48	0.0	-82.56	380.00	8.57	-73.99
C[NH+](C)C1CCCC(NC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012603575	0	47	0.0	-78.18	338.66	6.48	-71.70
C[NH+](C)C1CCCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012603576	0	49	0.0	-67.11	361.41	8.65	-58.46
C[NH+](C)C1CCCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012603577	0	45	0.0	-77.12	346.33	7.23	-69.89
COC1=CC=CC([C@H](NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])=C1	REAL300012603578	0	52	0.0	-81.80	393.57	7.33	-74.47
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CCCC([NH+](C)C)C2)C1	REAL300012603579	0	54	0.0	-84.60	393.77	8.83	-75.77
COC1=CC=CC(CC(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])=C1	REAL300012603580	0	55	0.0	-86.54	415.57	8.34	-78.20
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012603581	0	57	0.0	-87.83	385.39	9.04	-78.79
C[NH+](C)C1CCCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012603582	0	54	0.0	-80.88	406.22	9.68	-71.20
C[NH+](C)C1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012603583	0	53	0.0	-74.18	400.12	9.50	-64.68
COC1CN(C(=O)NC2CCCC([NH+](C)C)C2)C(C)(C(=O)[O-])C1	REAL300012603584	0	52	0.0	-82.50	376.61	7.45	-75.05
C[NH+](C)C1CCCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012603585	0	55	0.0	-79.73	395.11	7.48	-72.25
C=C(Cl)CC(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603586	0	45	0.0	-75.78	356.16	7.16	-68.62
C[NH+](C)C1CCCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012603587	0	49	0.0	-94.17	346.80	9.34	-84.83
C[NH+](C)C1CCCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012603588	0	54	0.0	-81.54	395.90	9.23	-72.31
C[NH+](C)C1CCCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012603589	0	45	0.0	-81.75	340.56	7.65	-74.10
C[NH+](C)C1CCCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012603590	0	45	0.0	-86.57	334.07	7.59	-78.98
C[NH+](C)C1CCCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012603591	0	55	0.0	-81.20	395.19	7.47	-73.73
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012603592	0	52	0.0	-83.88	371.86	5.83	-78.05
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012603593	0	48	0.0	-81.55	363.87	8.13	-73.42
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300012603594	0	51	0.0	-78.08	402.57	9.13	-68.95
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012603595	0	47	0.0	-81.58	372.87	6.18	-75.40
CC(C)CCCC(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603596	0	56	0.0	-80.66	410.00	8.81	-71.85
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012603597	0	54	0.0	-79.92	415.99	9.44	-70.48
C[NH+](C)C1CCCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012603598	0	52	0.0	-78.27	382.17	6.88	-71.39
CSCC(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603599	0	45	0.0	-77.52	351.40	6.39	-71.13
C[NH+](C)C1CCCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012603600	0	51	0.0	-80.80	392.73	9.05	-71.75
CCC(C)CC(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603601	0	53	0.0	-81.56	385.00	7.93	-73.63
C=CCCCC(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603602	0	51	0.0	-80.48	383.51	8.14	-72.34
C[NH+](C)C1CCCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012603603	0	51	0.0	-79.07	397.16	8.62	-70.45
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012603604	0	54	0.0	-76.14	405.34	10.45	-65.69
C[NH+](C)C1CCCC(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012603605	0	46	0.0	-90.53	337.82	8.97	-81.56
C[NH+](C)C1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012603606	0	51	0.0	-83.42	371.91	8.84	-74.58
C[NH+](C)C1CCCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012603607	0	49	0.0	-94.75	348.57	9.46	-85.29
C[NH+](C)C1CCCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012603608	0	44	0.0	-74.79	340.48	8.28	-66.51
C[NH+](C)C1CCCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012603609	0	44	0.0	-74.79	340.48	8.28	-66.51
C[NH+](C)C1CCCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012603610	0	57	0.0	-63.97	414.21	6.26	-57.71
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC([NH+](C)C)C2)CC1	REAL300012603611	1	61	0.0	-63.59	438.26	5.98	-57.61
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CCCC([NH+](C)C)C1	REAL300012603612	0	52	0.0	-56.75	381.78	10.70	-46.05
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CCCC([NH+](C)C)C2)[C@H]1C(=O)[O-]	REAL300012603613	0	55	0.0	-68.50	395.44	10.71	-57.79
C[NH+](C)C1CCCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012603614	0	53	0.0	-76.39	383.57	9.13	-67.26
C[NH+](C)C1CCCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012603615	0	48	0.0	-81.86	364.12	8.04	-73.82
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012603616	0	51	0.0	-74.66	402.80	9.05	-65.61
C[NH+](C)C1CCCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012603617	0	53	0.0	-82.36	403.98	8.06	-74.30
C[NH+](C)C1CCCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012603618	0	47	0.0	-74.50	372.30	6.00	-68.50
C[NH+](C)C1CCCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012603619	0	48	0.0	-73.56	392.41	7.81	-65.75
C[NH+](C)C1CCCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012603620	0	48	0.0	-98.04	357.20	5.42	-92.62
CN1CC(C(=O)[O-])N(C(=O)NC2CCCC([NH+](C)C)C2)CC1=O	REAL300012603621	0	49	0.0	-81.65	355.04	7.27	-74.38
C[NH+](C)C1CCCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012603622	0	48	0.0	-80.50	367.91	7.65	-72.85
C[NH+](C)C1CCCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012603623	0	51	0.0	-78.56	377.92	7.39	-71.17
C[NH+](C)C1CCCC(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012603624	0	51	0.0	-60.11	356.15	9.13	-50.98
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012603625	0	49	0.0	-86.86	361.32	3.96	-82.90
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603626	0	57	0.0	-78.80	411.22	7.27	-71.53
CC1CCC(NC(=O)NC2CCCC([NH+](C)C)C2)(C(=O)[O-])C1	REAL300012603627	0	51	0.0	-80.02	367.56	7.31	-72.71
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012603628	0	54	0.0	-86.80	373.45	8.45	-78.35
COCCC(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603629	0	48	0.0	-80.71	361.61	5.03	-75.68
CN(C(=O)NC1CCCC([NH+](C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012603630	0	54	0.0	-79.16	394.94	10.91	-68.25
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012603631	0	51	0.0	-84.78	365.50	8.36	-76.42
CC1CCC(NC(=O)NC2CCCC([NH+](C)C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012603632	0	58	0.0	-86.45	412.72	10.38	-76.07
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603633	0	57	0.0	-82.06	411.80	7.27	-74.79
C[NH+](C)C1CCCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012603634	0	56	0.0	-67.80	406.23	11.47	-56.33
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012603635	0	49	0.0	-75.16	360.66	5.13	-70.03
C[NH+](C)C1CCCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012603636	0	49	0.0	-86.70	353.22	8.58	-78.12
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012603637	0	52	0.0	-90.55	396.02	8.12	-82.43
C[NH+](C)C1CCCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012603638	0	47	0.0	-88.93	340.89	6.78	-82.15
CC1CCC(C(=O)[O-])N(C(=O)NC2CCCC([NH+](C)C)C2)C1	REAL300012603639	0	51	0.0	-93.23	353.87	9.73	-83.50
CC(C1=CC=CC=C1)C(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603640	0	54	0.0	-76.73	400.35	9.31	-67.42
C[NH+](C)C1CCCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012603641	0	55	0.0	-80.94	395.91	9.83	-71.11
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012603642	0	61	0.0	-85.47	420.68	8.80	-76.67
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012603643	0	54	0.0	-77.20	383.73	8.39	-68.81
C[NH+](C)C1CCCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012603644	0	55	0.0	-83.21	405.74	6.75	-76.46
C[NH+](C)C1CCCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012603645	0	55	0.0	-60.76	378.18	9.30	-51.46
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012603646	0	55	0.0	-86.41	377.94	6.99	-79.42
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300012603647	0	54	0.0	-82.90	417.42	10.46	-72.44
CC1=CC=CC2=C1CCN(C(=O)NC1CCCC([NH+](C)C)C1)C2C(=O)[O-]	REAL300012603648	0	55	0.0	-61.50	396.60	10.99	-50.51
C[NH+](C)C1CCCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012603649	0	49	0.0	-57.47	347.07	8.79	-48.68
C[NH+](C)C1CCCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012603650	0	55	0.0	-80.94	395.91	9.83	-71.11
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012603651	0	51	0.0	-75.39	392.71	9.04	-66.35
COC1CC(NC(=O)NC2CCCC([NH+](C)C)C2)(C(=O)[O-])C1	REAL300012603652	0	49	0.0	-79.75	360.67	5.54	-74.21
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012603653	0	45	0.0	-78.06	341.46	6.99	-71.07
CO[C@H]1C[C@](NC(=O)NC2CCCC([NH+](C)C)C2)(C(=O)[O-])C1	REAL300012603654	0	49	0.0	-82.42	360.68	5.54	-76.88
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012603655	0	48	0.0	-83.05	365.84	7.73	-75.32
CCC1(C(=O)[O-])CCCN1C(=O)NC1CCCC([NH+](C)C)C1	REAL300012603656	0	51	0.0	-85.96	359.55	9.59	-76.37
C[NH+](C)C1CCCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012603657	0	44	0.0	-74.02	343.63	6.75	-67.27
C[NH+](C)C1CCCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012603658	0	52	0.0	-83.54	381.75	5.99	-77.55
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012603659	0	48	0.0	-78.94	377.40	8.07	-70.87
COCC(NC(=O)NC1CCCC([NH+](C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012603660	0	55	0.0	-82.21	405.08	8.04	-74.17
C[NH+](C)C1CCCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012603661	0	49	0.0	-88.63	354.43	8.22	-80.41
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCCC([NH+](C)C)C1	REAL300012603662	0	54	0.0	-51.54	393.44	11.49	-40.05
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300012603663	0	55	0.0	-83.01	425.56	8.55	-74.46
C[NH+](C)C1CCCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012603664	0	57	0.0	-77.89	408.03	9.25	-68.64
C[NH+](C)C1CCCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012603665	0	54	0.0	-77.93	408.51	9.79	-68.14
C[NH+](C)C1CCCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012603666	0	54	0.0	-76.87	413.78	9.34	-67.53
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012603667	0	55	0.0	-82.65	394.66	8.19	-74.46
C[NH+](C)C1CCCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012603668	0	57	0.0	-81.69	408.28	9.19	-72.50
C[NH+](C)C1CCCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012603669	0	57	0.0	-78.39	408.33	9.17	-69.22
C[NH+](C)C1CCCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012603670	0	55	0.0	-57.58	386.59	9.72	-47.86
C[NH+](C)C1CCCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012603671	0	55	0.0	-92.65	385.67	9.58	-83.07
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300012603672	0	55	0.0	-83.43	428.43	8.59	-74.84
COC1=CC=C(CC(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])C=C1	REAL300012603673	0	55	0.0	-78.63	414.97	8.30	-70.33
C=CCSCC(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603674	0	49	0.0	-77.83	385.91	7.77	-70.06
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012603675	0	52	0.0	-78.94	407.14	9.37	-69.57
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300012603676	0	55	0.0	-84.14	418.43	9.18	-74.96
COC1(C(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])CCC1	REAL300012603677	0	52	0.0	-78.42	380.28	5.35	-73.07
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012603678	0	54	0.0	-87.32	389.87	9.01	-78.31
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012603679	0	55	0.0	-86.49	395.41	10.10	-76.39
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012603680	0	48	0.0	-81.39	359.16	7.41	-73.98
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300012603682	0	60	0.0	-81.18	440.08	10.45	-70.73
CC(C)C1=CC=C(C(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])C=C1	REAL300012603683	0	57	0.0	-78.71	424.32	9.97	-68.74
C[NH+](C)C1CCCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012603684	0	45	0.0	-86.57	334.07	7.59	-78.98
C[NH+](C)C1CCCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012603685	0	47	0.0	-58.24	342.25	8.65	-49.59
C[NH+](C)C1CCCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012603686	0	51	0.0	-87.60	363.50	8.41	-79.19
CCOC1=CC=C(C(NC(=O)NC2CCCC([NH+](C)C)C2)C(=O)[O-])C=C1	REAL300012603687	0	55	0.0	-78.23	414.82	8.31	-69.92
C[NH+](C)C1CCCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012603688	0	55	0.0	-92.41	381.62	10.56	-81.85
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012603689	0	55	0.0	-80.43	406.31	9.92	-70.51
C[NH+](C)C1CCCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012603690	0	55	0.0	-87.85	406.52	9.09	-78.76
C[NH+](C)C1CCCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012603691	0	51	0.0	-83.22	400.33	8.97	-74.25
CC(C)CCC(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603692	0	53	0.0	-80.68	388.26	8.10	-72.58
C[NH+](C)C1CCCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012603693	0	52	0.0	-57.88	371.72	9.26	-48.62
C[NH+](C)C1CCCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012603694	0	52	0.0	-83.54	381.75	5.99	-77.55
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCCC([NH+](C)C)C2)C1	REAL300012603695	0	49	0.0	-84.26	374.22	8.63	-75.63
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012603696	0	52	0.0	-88.47	363.11	8.82	-79.65
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012603697	0	49	0.0	-84.13	350.43	7.92	-76.21
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012603698	0	52	0.0	-85.99	371.38	8.31	-77.68
CN(C(=O)NC1CCCC([NH+](C)C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012603699	0	54	0.0	-74.62	399.88	10.61	-64.01
C[NH+](C)C1CCCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012603700	0	58	0.0	-54.10	403.55	10.29	-43.81
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012603701	0	51	0.0	-81.82	369.72	7.71	-74.11
CO[C@H](C)[C@H](NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603702	0	48	0.0	-81.02	362.38	4.80	-76.22
C[NH+](C)C1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012603703	0	51	0.0	-58.58	384.86	10.79	-47.79
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300012603704	0	58	0.0	-79.01	438.04	11.52	-67.49
C[NH+](C)C1CCCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012603705	0	51	0.0	-54.17	367.37	8.61	-45.56
C[NH+](C)C1CCCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012603706	0	52	0.0	-57.94	391.18	10.45	-47.49
C[NH+](C)C1CCCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012603707	0	48	0.0	-89.04	348.80	9.01	-80.03
C[NH+](C)C1CCCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012603708	0	45	0.0	-93.05	339.29	7.66	-85.39
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012603709	0	51	0.0	-75.39	392.71	9.04	-66.35
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012603710	0	48	0.0	-78.24	377.20	7.93	-70.31
C[NH+](C)C1CCCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012603711	0	48	0.0	-77.71	355.87	8.53	-69.18
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012603712	0	52	0.0	-84.36	391.13	8.71	-75.65
C[NH+](C)C1CCCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012603713	0	56	0.0	-87.80	413.94	10.26	-77.54
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012603714	0	48	0.0	-78.24	377.20	7.93	-70.31
C[NH+](C)C1CCCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012603715	0	52	0.0	-89.72	369.73	8.86	-80.86
COCCCC(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603716	0	51	0.0	-79.48	382.87	5.87	-73.61
CCOCC(NC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300012603717	0	48	0.0	-82.27	361.65	5.19	-77.08
C[NH+](C)C1CCCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012603718	0	53	0.0	-81.26	378.53	8.43	-72.83
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012603719	0	52	0.0	-77.93	381.11	5.70	-72.23
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300012603720	0	48	0.0	-80.54	385.41	8.66	-71.88
C[NH+](C)C1CCCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012603721	0	52	0.0	-85.41	383.42	9.35	-76.06
C[C@H]1OCCN(C(=O)NC2CCCC([NH+](C)C)C2)[C@@H]1C(=O)[O-]	REAL300012603722	0	49	0.0	-90.35	349.29	7.45	-82.90
C[NH+](C)C1CCCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012603723	0	51	0.0	-81.94	368.92	8.81	-73.13
C[NH+](C)C1CCCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012603724	0	62	0.0	-86.64	420.49	10.09	-76.55
C[NH+](C)C1CCCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012603725	0	54	0.0	-85.88	416.27	9.25	-76.63
C[NH+](C)C1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012603726	0	48	0.0	-63.00	366.54	8.94	-54.06
C[NH+](C)C1CCCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012603727	0	59	0.0	-91.89	396.33	9.68	-82.21
C[NH+](C)C1CCCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012603728	0	50	0.0	-76.53	397.94	7.68	-68.85
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCCC([NH+](C)C)C2)C1	REAL300012603729	0	52	0.0	-85.72	382.05	7.71	-78.01
COC1=CC=CN=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012604137	0	53	0.0	-68.98	414.53	4.96	-64.02
COC1CCC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012604727	0	63	0.0	-60.41	458.62	7.26	-53.15
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=C3NC=CC3=CC=C2)CC1	REAL300012605321	0	57	0.0	-61.87	438.89	7.97	-53.90
CC1=CN=CC=C1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012605581	0	55	0.0	-60.05	418.13	6.63	-53.42
CC1=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1Cl	REAL300012605877	0	56	0.0	-62.87	448.15	9.29	-53.58
COC1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012606163	0	56	0.0	-61.17	434.52	4.64	-56.53
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NOC3=C2CCCC3)CC1	REAL300012607008	0	56	0.0	-63.74	429.57	7.44	-56.30
CC1=CC=CC2=C1OCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C2	REAL300012607314	0	58	0.0	-59.35	437.29	7.91	-51.44
CC1=NOC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012607530	0	49	0.0	-63.19	387.99	5.41	-57.78
CN(C)C1=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CS1	REAL300012607781	0	54	0.0	-68.92	432.11	6.11	-62.81
CC1=NC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C(C)O1	REAL300012608309	0	55	0.0	-64.80	425.51	4.05	-60.75
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3=C(C2)N=CN3)CC1	REAL300012608551	0	54	0.0	-72.23	411.29	6.73	-65.50
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3=C(C2)NC=N3)CC1	REAL300012608551	1	54	0.0	-64.79	411.29	6.72	-58.07
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2COC3=CC=CC=C32)CC1	REAL300012608828	0	55	0.0	-65.91	426.12	7.25	-58.66
COC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N=C1	REAL300012609083	0	53	0.0	-67.98	415.73	4.83	-63.15
COC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)=C1	REAL300012609359	0	57	0.0	-64.02	437.79	7.52	-56.50
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC3=NNC=C3C=C2)CC1	REAL300012610246	0	56	0.0	-65.66	433.72	6.67	-58.99
CN1N=CC2=CC=C(CNC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])C=C21	REAL300012610557	0	56	0.0	-66.81	440.52	7.38	-59.43
CC(C)C[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610690	0	55	0.0	-71.14	399.82	5.17	-65.97
CC(C)C[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610690	1	55	0.0	-73.52	400.09	5.09	-68.43
C=CCOCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610691	0	54	0.0	-71.24	404.21	3.29	-67.95
C=CCOCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610691	1	54	0.0	-71.09	406.36	3.40	-67.69
C=CC(C)C(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610692	0	53	0.0	-72.62	385.03	4.54	-68.08
C=CC(C)C(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610692	1	53	0.0	-68.11	382.24	4.28	-63.83
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1(C)C	REAL300012610693	0	57	0.0	-72.32	402.22	3.24	-69.08
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1(C)C	REAL300012610693	1	57	0.0	-74.98	404.16	3.48	-71.50
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1(C)C	REAL300012610694	0	53	0.0	-64.52	406.57	5.65	-58.87
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1(C)C	REAL300012610694	1	53	0.0	-67.31	410.22	5.97	-61.34
COC1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(C(=O)[O-])C1	REAL300012610695	0	57	0.0	-82.24	401.69	5.87	-76.37
COC1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(C(=O)[O-])C1	REAL300012610695	1	57	0.0	-80.86	403.33	5.65	-75.21
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1(C)C	REAL300012610696	0	57	0.0	-66.42	404.76	3.49	-62.93
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1(C)C	REAL300012610696	1	57	0.0	-68.14	407.27	3.66	-64.48
CC1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(C(=O)[O-])C1	REAL300012610697	0	56	0.0	-81.93	385.82	7.26	-74.67
CC1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(C(=O)[O-])C1	REAL300012610697	1	56	0.0	-80.85	385.08	7.01	-73.84
CC1=CC(C(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])=CC=C1F	REAL300012610698	0	56	0.0	-66.05	420.01	6.25	-59.80
CC1=CC(C(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])=CC=C1F	REAL300012610698	1	56	0.0	-71.01	424.02	6.62	-64.39
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1(C)C	REAL300012610699	0	58	0.0	-69.84	429.56	5.45	-64.39
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1(C)C	REAL300012610699	1	58	0.0	-72.63	433.45	5.69	-66.94
CC1=CC(C(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])=CC(C)=C1	REAL300012610700	0	59	0.0	-74.01	440.39	7.16	-66.85
CC1=CC(C(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])=CC(C)=C1	REAL300012610700	1	59	0.0	-75.32	440.14	7.25	-68.07
CC1=CC=C(C(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])C=C1C	REAL300012610701	0	59	0.0	-70.23	431.68	6.76	-63.47
CC1=CC=C(C(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])C=C1C	REAL300012610701	1	59	0.0	-73.58	435.34	7.07	-66.51
CC1=CC=CC(C(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])=C1C	REAL300012610702	0	59	0.0	-70.82	426.63	6.65	-64.17
CC1=CC=CC(C(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])=C1C	REAL300012610702	1	59	0.0	-74.56	428.28	6.97	-67.59
COC1=CC=C(C(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])C=C1F	REAL300012610703	0	57	0.0	-71.06	433.24	5.21	-65.85
COC1=CC=C(C(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])C=C1F	REAL300012610703	1	57	0.0	-68.17	429.58	4.90	-63.27
CCCN(CC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610704	0	52	0.0	-59.08	379.66	6.19	-52.89
CCCN(CC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610704	1	52	0.0	-58.75	377.16	6.02	-52.73
CC(C(=O)[O-])N(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CCC1	REAL300012610705	0	56	0.0	-60.46	385.56	6.59	-53.87
CC(C(=O)[O-])N(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1CCC1	REAL300012610705	1	56	0.0	-54.94	385.94	7.66	-47.28
CCCN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(COC)C(=O)[O-]	REAL300012610706	0	59	0.0	-75.33	421.64	7.17	-68.16
CCCN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(COC)C(=O)[O-]	REAL300012610706	1	59	0.0	-68.08	415.45	5.73	-62.35
CCCN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(CC)C(=O)[O-]	REAL300012610707	0	58	0.0	-73.90	407.75	7.81	-66.09
CCCN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(CC)C(=O)[O-]	REAL300012610707	1	58	0.0	-71.44	409.93	7.95	-63.49
CC(C)C(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610708	0	52	0.0	-70.28	372.92	3.95	-66.33
CC(C)C(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610708	1	52	0.0	-68.44	369.17	3.86	-64.58
C[N@@H+]1CCN(CCNC(=O)N2CCCCC2C(=O)[O-])CC1(C)C	REAL300012610709	0	53	0.0	-80.81	371.03	6.75	-74.06
C[N@H+]1CCN(CCNC(=O)N2CCCCC2C(=O)[O-])CC1(C)C	REAL300012610709	1	53	0.0	-79.17	369.86	6.55	-72.62
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1(C)C	REAL300012610710	0	53	0.0	-66.22	410.59	6.05	-60.17
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1(C)C	REAL300012610710	1	53	0.0	-68.09	413.10	6.21	-61.88
C[N@@H+]1CCN(CCNC(=O)N2CCSCC2C(=O)[O-])CC1(C)C	REAL300012610711	0	51	0.0	-78.20	371.05	6.70	-71.50
C[N@H+]1CCN(CCNC(=O)N2CCSCC2C(=O)[O-])CC1(C)C	REAL300012610711	1	51	0.0	-76.39	369.90	6.55	-69.84
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1(C)C	REAL300012610712	0	56	0.0	-71.80	387.24	5.66	-66.14
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1(C)C	REAL300012610712	1	56	0.0	-75.85	389.75	5.84	-70.01
C[N@@H+]1CCN(CCNC(=O)N2CCCC2C(=O)[O-])CC1(C)C	REAL300012610713	0	50	0.0	-77.59	360.91	5.37	-72.22
C[N@H+]1CCN(CCNC(=O)N2CCCC2C(=O)[O-])CC1(C)C	REAL300012610713	1	50	0.0	-79.56	360.89	5.37	-74.19
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC2)CC1(C)C	REAL300012610714	0	53	0.0	-77.50	375.86	4.84	-72.66
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC2)CC1(C)C	REAL300012610714	1	53	0.0	-77.14	376.34	4.91	-72.23
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1(C)C	REAL300012610715	0	59	0.0	-75.29	396.55	6.65	-68.64
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1(C)C	REAL300012610715	1	59	0.0	-76.33	395.39	6.50	-69.83
C[N@@H+]1CCN(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1(C)C	REAL300012610716	0	56	0.0	-69.84	415.91	6.53	-63.31
C[N@H+]1CCN(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1(C)C	REAL300012610716	1	56	0.0	-73.25	418.42	6.70	-66.55
C[N@@H+]1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1(C)C	REAL300012610717	0	56	0.0	-59.24	414.66	8.27	-50.97
C[N@H+]1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1(C)C	REAL300012610717	1	56	0.0	-59.49	417.16	8.44	-51.05
C[N@@H+]1CCN(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300012610718	0	53	0.0	-70.47	393.90	5.53	-64.94
C[N@H+]1CCN(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300012610718	1	53	0.0	-73.39	396.17	5.78	-67.61
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300012610719	0	53	0.0	-69.31	393.26	5.55	-63.76
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300012610719	1	53	0.0	-71.23	395.77	5.72	-65.51
CCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610720	0	49	0.0	-69.21	359.40	3.64	-65.57
CCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610720	1	49	0.0	-68.52	357.49	3.52	-65.00
CC(C)C(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610721	0	52	0.0	-70.28	372.92	3.95	-66.33
CC(C)C(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610721	1	52	0.0	-68.44	369.17	3.86	-64.58
C[N@@H+]1CCN(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1(C)C	REAL300012610722	0	56	0.0	-69.84	415.91	6.53	-63.31
C[N@H+]1CCN(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1(C)C	REAL300012610722	1	56	0.0	-73.25	418.42	6.70	-66.55
CCC(C)C(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610723	0	55	0.0	-71.96	393.35	4.86	-67.10
CCC(C)C(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610723	1	55	0.0	-67.15	389.92	4.62	-62.53
C[N@@H+]1CCN(CCNC(=O)N2CCCCC2C(=O)[O-])CC1(C)C	REAL300012610724	0	53	0.0	-80.81	371.03	6.75	-74.06
C[N@H+]1CCN(CCNC(=O)N2CCCCC2C(=O)[O-])CC1(C)C	REAL300012610724	1	53	0.0	-79.17	369.86	6.55	-72.62
CCCC(C)(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610725	0	55	0.0	-69.82	385.87	4.75	-65.07
CCCC(C)(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610725	1	55	0.0	-68.36	383.37	4.59	-63.77
CC(C)N(CC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610726	0	52	0.0	-59.90	368.28	5.72	-54.18
CC(C)N(CC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610726	1	52	0.0	-59.54	365.79	5.55	-53.99
C[N@@H+]1CCN(CCNC(=O)N(CC(=O)[O-])C2CC2)CC1(C)C	REAL300012610727	0	50	0.0	-63.36	362.59	6.11	-57.25
C[N@H+]1CCN(CCNC(=O)N(CC(=O)[O-])C2CC2)CC1(C)C	REAL300012610727	1	50	0.0	-59.97	361.43	5.96	-54.01
C=CCN(CC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610728	0	50	0.0	-58.50	368.47	5.82	-52.68
C=CCN(CC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610728	1	50	0.0	-58.89	370.97	6.00	-52.89
CC(C)CN(CC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610729	0	55	0.0	-58.53	394.07	6.50	-52.03
CC(C)CN(CC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610729	1	55	0.0	-58.19	391.57	6.32	-51.87
C[N@@H+]1CCN(CCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1(C)C	REAL300012610730	0	57	0.0	-78.65	411.02	8.70	-69.95
C[N@H+]1CCN(CCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1(C)C	REAL300012610730	1	57	0.0	-78.64	409.86	8.54	-70.10
C[N@@H+]1CCN(CCNC(=O)NC(C)(C)C(=O)[O-])CC1(C)C	REAL300012610731	0	49	0.0	-59.44	348.47	2.83	-56.61
C[N@H+]1CCN(CCNC(=O)NC(C)(C)C(=O)[O-])CC1(C)C	REAL300012610731	1	49	0.0	-60.86	350.98	3.00	-57.86
C[N@@H+]1CCN(CCNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1(C)C	REAL300012610732	0	53	0.0	-69.71	371.37	4.57	-65.14
C[N@H+]1CCN(CCNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1(C)C	REAL300012610732	1	53	0.0	-73.63	373.88	4.75	-68.88
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1(C)C	REAL300012610733	0	50	0.0	-68.44	385.28	4.69	-63.75
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1(C)C	REAL300012610733	1	50	0.0	-69.92	387.99	4.78	-65.14
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1(C)C	REAL300012610734	0	56	0.0	-71.80	387.24	5.66	-66.14
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1(C)C	REAL300012610734	1	56	0.0	-75.85	389.75	5.84	-70.01
C[N@@H+]1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1(C)C	REAL300012610735	0	56	0.0	-56.85	431.39	8.79	-48.06
C[N@H+]1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1(C)C	REAL300012610735	1	56	0.0	-57.17	433.89	8.96	-48.21
CC(C)N(CC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610736	0	52	0.0	-59.90	368.28	5.72	-54.18
CC(C)N(CC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610736	1	52	0.0	-59.54	365.79	5.55	-53.99
CCCN(CC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610737	0	52	0.0	-59.08	379.66	6.19	-52.89
CCCN(CC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610737	1	52	0.0	-58.75	377.16	6.02	-52.73
CCN(CC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610738	0	49	0.0	-71.45	358.16	5.43	-66.02
CCN(CC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610738	1	49	0.0	-68.24	355.66	5.26	-62.98
CC[C@H](C)[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610739	0	55	0.0	-70.87	391.47	4.59	-66.28
CC[C@H](C)[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610739	1	55	0.0	-67.84	387.31	4.39	-63.45
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC2)CC1(C)C	REAL300012610740	0	53	0.0	-77.50	375.86	4.84	-72.66
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC2)CC1(C)C	REAL300012610740	1	53	0.0	-77.14	376.34	4.91	-72.23
C[N@@H+]1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1(C)C	REAL300012610741	0	56	0.0	-57.01	421.06	8.34	-48.67
C[N@H+]1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1(C)C	REAL300012610741	1	56	0.0	-57.31	423.57	8.51	-48.80
CCC(C)(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610742	0	52	0.0	-69.48	364.37	3.99	-65.49
CCC(C)(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610742	1	52	0.0	-68.02	361.87	3.83	-64.19
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1(C)C	REAL300012610743	0	57	0.0	-75.39	416.87	7.15	-68.24
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1(C)C	REAL300012610743	1	57	0.0	-75.98	415.73	7.02	-68.96
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1(C)C	REAL300012610744	0	53	0.0	-69.97	404.69	5.68	-64.29
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1(C)C	REAL300012610744	1	53	0.0	-71.95	407.20	5.85	-66.10
C[N@@H+]1CCN(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300012610745	0	56	0.0	-69.62	401.69	6.30	-63.32
C[N@H+]1CCN(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300012610745	1	56	0.0	-75.34	405.34	6.62	-68.72
CCN(CC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610746	0	49	0.0	-71.45	358.16	5.43	-66.02
CCN(CC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610746	1	49	0.0	-68.24	355.66	5.26	-62.98
CCCCCCC(C)(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610747	0	64	0.0	-69.94	450.37	7.08	-62.86
CCCCCCC(C)(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610747	1	64	0.0	-68.48	447.86	6.92	-61.56
CN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012610748	0	59	0.0	-70.88	427.23	8.56	-62.32
CN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012610748	1	59	0.0	-68.01	425.23	8.49	-59.52
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1(C)C	REAL300012610749	0	53	0.0	-66.22	410.59	6.05	-60.17
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1(C)C	REAL300012610749	1	53	0.0	-68.09	413.10	6.21	-61.88
C[N@@H+]1CCN(CCNC(=O)N2CCOCC2C(=O)[O-])CC1(C)C	REAL300012610750	0	51	0.0	-77.97	362.15	4.31	-73.66
C[N@H+]1CCN(CCNC(=O)N2CCOCC2C(=O)[O-])CC1(C)C	REAL300012610750	1	51	0.0	-75.88	360.99	4.16	-71.72
CN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1(C(=O)[O-])CCCCC1	REAL300012610751	0	59	0.0	-77.44	399.00	7.14	-70.30
CN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1(C(=O)[O-])CCCCC1	REAL300012610751	1	59	0.0	-73.39	396.50	6.97	-66.42
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CC2)CC1(C)C	REAL300012610752	0	50	0.0	-73.74	371.14	4.31	-69.43
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CC2)CC1(C)C	REAL300012610752	1	50	0.0	-74.51	367.75	4.27	-70.24
C[N@@H+]1CCN(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1(C)C	REAL300012610753	0	59	0.0	-59.75	437.06	9.04	-50.71
C[N@H+]1CCN(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1(C)C	REAL300012610753	1	59	0.0	-60.10	439.57	9.22	-50.88
CN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012610754	0	56	0.0	-70.25	407.52	7.57	-62.68
CN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012610754	1	56	0.0	-68.80	405.02	7.41	-61.39
COCCN(CC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610755	0	53	0.0	-59.99	389.54	4.62	-55.37
COCCN(CC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610755	1	53	0.0	-59.75	387.04	4.45	-55.30
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1(C)C	REAL300012610756	0	57	0.0	-73.68	408.58	6.63	-67.05
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1(C)C	REAL300012610756	1	57	0.0	-78.54	411.09	6.79	-71.75
C[N@@H+]1CCN(CCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610757	0	50	0.0	-77.56	360.94	5.36	-72.20
C[N@H+]1CCN(CCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610757	1	50	0.0	-79.52	360.91	5.37	-74.15
C[N@@H+]1CCN(CCNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610758	0	53	0.0	-78.69	369.85	6.54	-72.15
C[N@H+]1CCN(CCNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610758	1	53	0.0	-79.18	369.85	6.55	-72.63
C[C@H](C(=O)[O-])N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610759	0	49	0.0	-67.48	350.75	4.58	-62.90
C[C@H](C(=O)[O-])N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610759	1	49	0.0	-64.99	348.75	4.52	-60.47
C[N@@H+]1CCN(CCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1(C)C	REAL300012610760	0	50	0.0	-79.14	360.13	5.67	-73.47
C[N@H+]1CCN(CCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1(C)C	REAL300012610760	1	50	0.0	-77.15	360.11	5.69	-71.46
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCC2)CC1(C)C	REAL300012610761	0	50	0.0	-76.00	362.26	4.49	-71.51
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCC2)CC1(C)C	REAL300012610761	1	50	0.0	-76.42	361.10	4.34	-72.08
C=CCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610762	0	50	0.0	-68.07	370.77	3.97	-64.10
C=CCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610762	1	50	0.0	-68.78	372.71	4.08	-64.70
C[N@@H+]1CCN(CCNC(=O)N2CCCC2(C)C(=O)[O-])CC1(C)C	REAL300012610763	0	53	0.0	-79.03	377.36	6.24	-72.79
C[N@H+]1CCN(CCNC(=O)N2CCCC2(C)C(=O)[O-])CC1(C)C	REAL300012610763	1	53	0.0	-76.83	377.34	6.23	-70.60
C[N@@H+]1CCN(CCNC(=O)N2CCCCCC2C(=O)[O-])CC1(C)C	REAL300012610764	0	56	0.0	-78.99	384.23	7.23	-71.76
C[N@H+]1CCN(CCNC(=O)N2CCCCCC2C(=O)[O-])CC1(C)C	REAL300012610764	1	56	0.0	-78.85	383.08	7.07	-71.78
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CC2)CC1(C)C	REAL300012610765	0	50	0.0	-73.74	371.14	4.31	-69.43
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CC2)CC1(C)C	REAL300012610765	1	50	0.0	-74.51	367.75	4.27	-70.24
CC(C(=O)[O-])N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610766	0	49	0.0	-66.30	350.32	4.69	-61.61
CC(C(=O)[O-])N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610766	1	49	0.0	-64.94	348.25	4.41	-60.53
CCCCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610767	0	55	0.0	-69.74	403.23	5.17	-64.57
CCCCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610767	1	55	0.0	-68.66	400.73	5.01	-63.65
C[N@@H+]1CCN(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1(C)C	REAL300012610768	0	59	0.0	-59.75	437.06	9.04	-50.71
C[N@H+]1CCN(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1(C)C	REAL300012610768	1	59	0.0	-60.10	439.57	9.22	-50.88
C[N@@H+]1CCN(CCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1(C)C	REAL300012610769	0	53	0.0	-79.06	377.27	6.25	-72.81
C[N@H+]1CCN(CCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1(C)C	REAL300012610769	1	53	0.0	-75.20	376.09	6.08	-69.12
C[N@@H+]1CCN(CCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1(C)C	REAL300012610770	0	56	0.0	-58.36	391.99	6.83	-51.53
C[N@H+]1CCN(CCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1(C)C	REAL300012610770	1	56	0.0	-58.61	394.50	7.01	-51.60
COCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610771	0	50	0.0	-71.00	371.60	1.85	-69.15
COCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610771	1	50	0.0	-70.60	369.59	1.70	-68.90
CCCCCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610772	0	58	0.0	-69.09	423.89	5.96	-63.13
CCCCCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610772	1	58	0.0	-68.31	421.98	5.84	-62.47
CCC1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)(C(=O)[O-])CC1	REAL300012610773	0	62	0.0	-72.14	422.47	6.37	-65.77
CCC1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)(C(=O)[O-])CC1	REAL300012610773	1	62	0.0	-71.27	423.62	6.51	-64.76
C[N@@H+]1CCN(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1(C)C	REAL300012610774	0	57	0.0	-58.50	400.43	5.16	-53.34
C[N@H+]1CCN(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1(C)C	REAL300012610774	1	57	0.0	-62.25	404.10	5.48	-56.77
CN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1(C(=O)[O-])CCCC1	REAL300012610775	0	56	0.0	-75.60	385.71	6.42	-69.18
CN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1(C(=O)[O-])CCCC1	REAL300012610775	1	56	0.0	-73.35	383.21	6.23	-67.12
CC(C(=O)[O-])N(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CC1	REAL300012610776	0	53	0.0	-61.35	376.64	6.11	-55.24
CC(C(=O)[O-])N(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1CC1	REAL300012610776	1	53	0.0	-60.08	377.80	6.25	-53.83
CCC(C(=O)[O-])N(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CC1	REAL300012610777	0	56	0.0	-60.79	397.05	7.08	-53.71
CCC(C(=O)[O-])N(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1CC1	REAL300012610777	1	56	0.0	-72.29	393.17	7.21	-65.08
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1(C)C	REAL300012610778	0	53	0.0	-76.16	409.52	6.26	-69.90
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1(C)C	REAL300012610778	1	53	0.0	-74.64	409.51	6.26	-68.38
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1(C)C	REAL300012610779	0	53	0.0	-79.47	401.72	6.00	-73.47
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1(C)C	REAL300012610779	1	53	0.0	-78.47	401.95	5.93	-72.54
C[N@@H+]1CCN(CCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1(C)C	REAL300012610780	0	57	0.0	-65.95	412.86	8.16	-57.79
C[N@H+]1CCN(CCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1(C)C	REAL300012610780	1	57	0.0	-63.36	411.71	8.01	-55.35
C[N@@H+]1CCN(CCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1(C)C	REAL300012610781	0	56	0.0	-72.92	431.55	6.79	-66.13
C[N@H+]1CCN(CCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1(C)C	REAL300012610781	1	56	0.0	-75.67	434.51	7.03	-68.64
C[N@@H+]1CCN(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1(C)C	REAL300012610782	0	62	0.0	-69.04	437.85	6.73	-62.31
C[N@H+]1CCN(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1(C)C	REAL300012610782	1	62	0.0	-73.78	441.71	6.97	-66.81
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610783	0	59	0.0	-58.97	424.80	8.52	-50.45
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610783	1	59	0.0	-58.08	426.63	8.84	-49.24
CC1=CC=C(C(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])C=C1	REAL300012610784	0	56	0.0	-69.41	414.67	6.23	-63.18
CC1=CC=C(C(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])C=C1	REAL300012610784	1	56	0.0	-74.83	418.92	6.52	-68.31
C[N@@H+]1CCN(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1(C)C	REAL300012610785	0	49	0.0	-63.41	373.66	4.15	-59.26
C[N@H+]1CCN(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1(C)C	REAL300012610785	1	49	0.0	-64.85	376.17	4.31	-60.54
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1(C)C	REAL300012610786	0	59	0.0	-71.69	439.62	7.87	-63.82
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1(C)C	REAL300012610786	1	59	0.0	-74.96	442.12	8.04	-66.92
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCSCC2)CC1(C)C	REAL300012610787	0	54	0.0	-70.93	388.60	5.67	-65.26
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCSCC2)CC1(C)C	REAL300012610787	1	54	0.0	-73.01	388.59	5.67	-67.34
COCC(C)(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610788	0	53	0.0	-73.67	382.62	3.28	-70.39
COCC(C)(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610788	1	53	0.0	-72.20	380.11	3.11	-69.09
CCOCC(C(=O)[O-])N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610789	0	56	0.0	-67.79	402.37	4.99	-62.80
CCOCC(C(=O)[O-])N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610789	1	56	0.0	-67.25	400.72	4.85	-62.40
CC(C)CN(CC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610790	0	55	0.0	-58.53	394.07	6.50	-52.03
CC(C)CN(CC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610790	1	55	0.0	-58.19	391.57	6.32	-51.87
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610791	0	62	0.0	-59.75	439.84	9.07	-50.68
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610791	1	62	0.0	-57.82	442.72	9.61	-48.21
C[N@@H+]1CCN(CCNC(=O)N(CC(=O)[O-])C2CC2)CC1(C)C	REAL300012610792	0	50	0.0	-63.36	362.59	6.11	-57.25
C[N@H+]1CCN(CCNC(=O)N(CC(=O)[O-])C2CC2)CC1(C)C	REAL300012610792	1	50	0.0	-59.97	361.43	5.96	-54.01
C[N@@H+]1CCN(CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1(C)C	REAL300012610793	0	52	0.0	-58.20	395.29	6.40	-51.80
C[N@H+]1CCN(CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1(C)C	REAL300012610793	1	52	0.0	-58.37	397.80	6.57	-51.80
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCOC2)CC1(C)C	REAL300012610794	0	51	0.0	-72.80	367.21	2.29	-70.51
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCOC2)CC1(C)C	REAL300012610794	1	51	0.0	-71.05	367.19	2.29	-68.76
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1(C)C	REAL300012610795	0	59	0.0	-67.67	413.53	5.87	-61.80
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1(C)C	REAL300012610795	1	59	0.0	-74.79	420.04	6.23	-68.56
CN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(COC1CCC1)C(=O)[O-]	REAL300012610796	0	60	0.0	-68.58	430.03	6.48	-62.10
CN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(COC1CCC1)C(=O)[O-]	REAL300012610796	1	60	0.0	-67.35	427.52	6.32	-61.03
C[N@@H+]1CCN(CCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1(C)C	REAL300012610797	0	60	0.0	-81.56	435.46	9.95	-71.61
C[N@H+]1CCN(CCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1(C)C	REAL300012610797	1	60	0.0	-78.73	434.31	9.80	-68.93
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCOCC2)CC1(C)C	REAL300012610798	0	54	0.0	-73.84	382.33	3.48	-70.36
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCOCC2)CC1(C)C	REAL300012610798	1	54	0.0	-76.01	382.32	3.49	-72.52
C=CCCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610799	0	53	0.0	-68.56	392.04	4.79	-63.77
C=CCCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610799	1	53	0.0	-69.51	394.54	4.95	-64.56
C[N@@H+]1CCN(CCNC(=O)NC(CF)C(=O)[O-])CC1(C)C	REAL300012610800	0	46	0.0	-58.62	339.83	2.43	-56.19
C[N@H+]1CCN(CCNC(=O)NC(CF)C(=O)[O-])CC1(C)C	REAL300012610800	1	46	0.0	-59.72	342.02	2.62	-57.10
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610801	0	59	0.0	-59.30	429.91	9.49	-49.81
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610801	1	59	0.0	-71.60	425.61	9.13	-62.47
CC(C(=O)[O-])N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610802	0	49	0.0	-66.30	350.32	4.69	-61.61
CC(C(=O)[O-])N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610802	1	49	0.0	-64.94	348.25	4.41	-60.53
CCC(CC)(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610803	0	55	0.0	-70.66	381.04	4.87	-65.79
CCC(CC)(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610803	1	55	0.0	-69.13	378.25	4.72	-64.41
COC1=CC=C(C(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])C=C1	REAL300012610804	0	57	0.0	-72.42	426.77	5.22	-67.20
COC1=CC=C(C(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])C=C1	REAL300012610804	1	57	0.0	-69.42	423.35	4.83	-64.59
CCC(C)N(CC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610805	0	55	0.0	-57.59	391.48	6.88	-50.71
CCC(C)N(CC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610805	1	55	0.0	-58.23	386.38	6.59	-51.64
CCC(COC)(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610806	0	56	0.0	-74.91	399.29	4.18	-70.73
CCC(COC)(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610806	1	56	0.0	-73.39	396.55	4.03	-69.36
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610807	0	59	0.0	-67.77	423.14	5.86	-61.91
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610807	1	59	0.0	-66.92	420.38	5.52	-61.40
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1(C)C	REAL300012610808	0	56	0.0	-75.56	407.45	1.97	-73.59
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1(C)C	REAL300012610808	1	56	0.0	-77.60	407.42	1.98	-75.62
C[N@@H+]1CCN(CCNC(=O)NC(CC2CC2)C(=O)[O-])CC1(C)C	REAL300012610809	0	53	0.0	-68.46	389.61	4.95	-63.51
C[N@H+]1CCN(CCNC(=O)NC(CC2CC2)C(=O)[O-])CC1(C)C	REAL300012610809	1	53	0.0	-72.04	392.36	5.06	-66.98
COCCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610810	0	53	0.0	-69.81	393.90	2.68	-67.13
COCCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610810	1	53	0.0	-68.62	391.16	2.58	-66.04
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610811	0	58	0.0	-67.61	409.42	7.20	-60.41
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610811	1	58	0.0	-65.64	406.56	6.83	-58.81
C[N@@H+]1CCN(CCNC(=O)NC(CC(F)F)C(=O)[O-])CC1(C)C	REAL300012610812	0	49	0.0	-64.42	368.10	4.04	-60.38
C[N@H+]1CCN(CCNC(=O)NC(CC(F)F)C(=O)[O-])CC1(C)C	REAL300012610812	1	49	0.0	-68.40	371.75	3.92	-64.48
CCCC1(C(=O)[O-])CCCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610813	0	59	0.0	-76.19	413.42	7.98	-68.21
CCCC1(C(=O)[O-])CCCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610813	1	59	0.0	-73.99	410.92	7.82	-66.17
CCCN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(C)C(=O)[O-]	REAL300012610814	0	55	0.0	-68.50	389.90	6.27	-62.23
CCCN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(C)C(=O)[O-]	REAL300012610814	1	55	0.0	-68.10	390.12	6.74	-61.36
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610815	0	59	0.0	-58.57	426.06	9.52	-49.05
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610815	1	59	0.0	-55.63	426.48	9.14	-46.49
CCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012610816	0	59	0.0	-75.01	421.17	7.38	-67.63
CCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012610816	1	59	0.0	-71.17	418.66	7.20	-63.97
COC1CCCC(C(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])C1	REAL300012610817	0	63	0.0	-77.98	446.41	4.83	-73.15
COC1CCCC(C(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])C1	REAL300012610817	1	63	0.0	-74.47	443.91	4.66	-69.81
C[N@@H+]1CCN(CCNC(=O)NC(CCF)C(=O)[O-])CC1(C)C	REAL300012610818	0	49	0.0	-67.21	364.08	3.66	-63.55
C[N@H+]1CCN(CCNC(=O)NC(CCF)C(=O)[O-])CC1(C)C	REAL300012610818	1	49	0.0	-67.84	365.99	3.78	-64.06
COC1(CC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])CCC1	REAL300012610819	0	60	0.0	-74.89	432.88	4.85	-70.04
COC1(CC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])CCC1	REAL300012610819	1	60	0.0	-74.91	431.79	5.13	-69.78
C[N@@H+]1CCN(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1(C)C	REAL300012610820	0	57	0.0	-58.50	400.43	5.16	-53.34
C[N@H+]1CCN(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1(C)C	REAL300012610820	1	57	0.0	-62.25	404.10	5.48	-56.77
C[N@@H+]1CCN(CCNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1(C)C	REAL300012610821	0	59	0.0	-58.76	409.37	7.54	-51.22
C[N@H+]1CCN(CCNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1(C)C	REAL300012610821	1	59	0.0	-58.96	411.88	7.71	-51.25
C[C@H]1CC[C@@](NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)(C(=O)[O-])CC1	REAL300012610822	0	59	0.0	-73.44	403.54	6.21	-67.23
C[C@H]1CC[C@@](NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)(C(=O)[O-])CC1	REAL300012610822	1	59	0.0	-75.14	404.70	6.38	-68.76
COC1=CC=CC(C(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])=C1	REAL300012610823	0	57	0.0	-73.48	425.26	5.01	-68.47
COC1=CC=CC(C(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])=C1	REAL300012610823	1	57	0.0	-72.27	423.17	4.90	-67.37
C[N@@H+]1CCN(CCNC(=O)NC(C)(CCF)C(=O)[O-])CC1(C)C	REAL300012610824	0	52	0.0	-65.18	368.46	3.96	-61.22
C[N@H+]1CCN(CCNC(=O)NC(C)(CCF)C(=O)[O-])CC1(C)C	REAL300012610824	1	52	0.0	-66.46	370.96	4.13	-62.33
C[N@@H+]1CCN(CCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1(C)C	REAL300012610825	0	54	0.0	-66.01	394.32	6.34	-59.67
C[N@H+]1CCN(CCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1(C)C	REAL300012610825	1	54	0.0	-63.56	393.17	6.18	-57.38
C[N@@H+]1CCN(CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610826	0	50	0.0	-67.78	370.22	5.21	-62.57
C[N@H+]1CCN(CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610826	1	50	0.0	-72.48	373.88	5.53	-66.95
COC1=CC=CC([C@H](NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])=C1	REAL300012610827	0	57	0.0	-73.49	425.29	5.01	-68.48
COC1=CC=CC([C@H](NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])=C1	REAL300012610827	1	57	0.0	-71.44	422.79	4.84	-66.60
C[C@@H](C(=O)[O-])N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610828	0	49	0.0	-67.03	352.40	4.83	-62.20
C[C@@H](C(=O)[O-])N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610828	1	49	0.0	-68.51	352.42	4.84	-63.67
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1	REAL300012610829	0	59	0.0	-78.84	425.66	7.35	-71.49
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1	REAL300012610829	1	59	0.0	-78.55	425.71	7.37	-71.18
COC1=CC=CC(CC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])=C1	REAL300012610830	0	60	0.0	-77.73	449.25	6.09	-71.64
COC1=CC=CC(CC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])=C1	REAL300012610830	1	60	0.0	-68.52	444.77	5.78	-62.74
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1(C)C	REAL300012610831	0	62	0.0	-72.77	415.16	6.54	-66.23
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1(C)C	REAL300012610831	1	62	0.0	-76.94	417.67	6.70	-70.24
C[N@@H+]1CCN(CCNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1(C)C	REAL300012610832	0	51	0.0	-83.21	367.40	6.32	-76.89
C[N@H+]1CCN(CCNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1(C)C	REAL300012610832	1	51	0.0	-81.44	366.25	6.16	-75.28
COC1CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(C)(C(=O)[O-])C1	REAL300012610833	0	57	0.0	-76.88	410.49	5.22	-71.66
COC1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(C)(C(=O)[O-])C1	REAL300012610833	1	57	0.0	-79.24	410.50	5.23	-74.01
C[N@@H+]1CCN(CCNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1(C)C	REAL300012610834	0	60	0.0	-68.69	429.12	4.29	-64.40
C[N@H+]1CCN(CCNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1(C)C	REAL300012610834	1	60	0.0	-71.98	428.30	5.35	-66.63
C[N@@H+]1CCN(CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1(C)C	REAL300012610835	0	55	0.0	-69.21	388.52	4.56	-64.65
C[N@H+]1CCN(CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1(C)C	REAL300012610835	1	55	0.0	-72.46	392.17	4.88	-67.58
C=C(Cl)CC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610836	0	50	0.0	-65.54	386.20	4.58	-60.96
C=C(Cl)CC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610836	1	50	0.0	-69.58	388.66	4.70	-64.88
C=C(C)CC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610837	0	53	0.0	-68.69	388.24	4.99	-63.70
C=C(C)CC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610837	1	53	0.0	-69.80	394.09	4.81	-64.99
C[N@@H+]1CCN(CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1(C)C	REAL300012610838	0	54	0.0	-79.77	378.56	6.78	-72.99
C[N@H+]1CCN(CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1(C)C	REAL300012610838	1	54	0.0	-83.28	381.07	6.96	-76.32
C[N@@H+]1CCN(CCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1(C)C	REAL300012610839	0	59	0.0	-68.13	425.70	6.72	-61.41
C[N@H+]1CCN(CCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1(C)C	REAL300012610839	1	59	0.0	-72.11	428.19	6.90	-65.21
C[N@@H+]1CCN(CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1(C)C	REAL300012610840	0	50	0.0	-72.51	373.89	5.58	-66.93
C[N@H+]1CCN(CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1(C)C	REAL300012610840	1	50	0.0	-70.82	373.88	5.57	-65.25
C[N@@H+]1CCN(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1(C)C	REAL300012610841	0	50	0.0	-71.29	363.73	5.14	-66.15
C[N@H+]1CCN(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1(C)C	REAL300012610841	1	50	0.0	-72.90	365.49	5.60	-67.30
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1	REAL300012610842	0	51	0.0	-79.26	374.38	5.73	-73.53
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1	REAL300012610842	1	51	0.0	-75.79	373.18	5.61	-70.18
C[N@@H+]1CCN(CCNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1(C)C	REAL300012610843	0	60	0.0	-68.78	428.35	4.28	-64.50
C[N@H+]1CCN(CCNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1(C)C	REAL300012610843	1	60	0.0	-72.14	427.49	5.11	-67.03
CC(C)C[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610844	0	55	0.0	-71.14	399.82	5.17	-65.97
CC(C)C[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610844	1	55	0.0	-73.52	400.09	5.09	-68.43
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1(C)C	REAL300012610845	0	57	0.0	-72.32	402.22	3.24	-69.08
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1(C)C	REAL300012610845	1	57	0.0	-74.98	404.16	3.48	-71.50
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300012610846	0	53	0.0	-69.31	393.26	5.55	-63.76
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300012610846	1	53	0.0	-71.23	395.77	5.72	-65.51
C[N@@H+]1CCN(CCNC(=O)NC(CC2CC2)C(=O)[O-])CC1(C)C	REAL300012610847	0	53	0.0	-68.46	389.61	4.95	-63.51
C[N@H+]1CCN(CCNC(=O)NC(CC2CC2)C(=O)[O-])CC1(C)C	REAL300012610847	1	53	0.0	-72.04	392.36	5.06	-66.98
C[N@@H+]1CCN(CCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1(C)C	REAL300012610848	0	52	0.0	-68.96	402.90	3.61	-65.35
C[N@H+]1CCN(CCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1(C)C	REAL300012610848	1	52	0.0	-72.34	405.41	3.78	-68.56
CC(C)CCCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610849	0	61	0.0	-69.09	441.46	6.47	-62.62
CC(C)CCCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610849	1	61	0.0	-68.60	439.79	6.30	-62.30
C[N@@H+]1CCN(CCNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1(C)C	REAL300012610850	0	57	0.0	-68.10	411.13	4.36	-63.74
C[N@H+]1CCN(CCNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1(C)C	REAL300012610850	1	57	0.0	-71.48	414.79	4.69	-66.79
CSCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610851	0	50	0.0	-67.22	383.03	4.07	-63.15
CSCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610851	1	50	0.0	-66.23	381.19	3.87	-62.36
COC[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610852	0	50	0.0	-72.80	373.23	2.01	-70.79
COC[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610852	1	50	0.0	-74.75	373.25	2.00	-72.75
CC[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610853	0	49	0.0	-71.23	361.38	3.76	-67.47
CC[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610853	1	49	0.0	-72.58	360.56	3.78	-68.80
C[N@@H+]1CCN(CCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1(C)C	REAL300012610854	0	56	0.0	-70.32	425.99	6.92	-63.40
C[N@H+]1CCN(CCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1(C)C	REAL300012610854	1	56	0.0	-72.21	426.22	6.86	-65.35
CCC(C)CC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610855	0	58	0.0	-70.13	417.16	5.58	-64.55
CCC(C)CC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610855	1	58	0.0	-69.13	414.55	5.47	-63.66
C=CCCCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610856	0	56	0.0	-68.72	413.54	5.57	-63.15
C=CCCCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610856	1	56	0.0	-69.46	416.04	5.73	-63.73
C[N@@H+]1CCN(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1(C)C	REAL300012610857	0	56	0.0	-67.31	422.51	6.54	-60.77
C[N@H+]1CCN(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1(C)C	REAL300012610857	1	56	0.0	-70.64	426.16	6.86	-63.78
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1(C)C	REAL300012610858	0	59	0.0	-73.77	434.75	7.68	-66.09
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1(C)C	REAL300012610858	1	59	0.0	-77.19	438.26	8.00	-69.19
C[N@@H+]1CCN(CCNC(=O)N2CCSCC2C(=O)[O-])CC1(C)C	REAL300012610859	0	51	0.0	-78.20	371.05	6.70	-71.50
C[N@H+]1CCN(CCNC(=O)N2CCSCC2C(=O)[O-])CC1(C)C	REAL300012610859	1	51	0.0	-76.39	369.90	6.55	-69.84
C[N@@H+]1CCN(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300012610860	0	56	0.0	-69.62	401.69	6.30	-63.32
C[N@H+]1CCN(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300012610860	1	56	0.0	-75.34	405.34	6.62	-68.72
C[N@@H+]1CCN(CCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610861	0	50	0.0	-77.56	360.94	5.36	-72.20
C[N@H+]1CCN(CCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610861	1	50	0.0	-79.52	360.91	5.37	-74.15
CCCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610862	0	52	0.0	-69.16	380.90	4.40	-64.76
CCCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610862	1	52	0.0	-68.81	379.23	4.22	-64.59
CC(C)[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610863	0	52	0.0	-72.55	377.27	4.21	-68.34
CC(C)[C@@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610863	1	52	0.0	-69.28	374.77	4.04	-65.24
C[N@@H+]1CCN(CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1(C)C	REAL300012610864	0	54	0.0	-77.91	378.04	6.88	-71.03
C[N@H+]1CCN(CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1(C)C	REAL300012610864	1	54	0.0	-83.43	381.70	7.20	-76.23
CCN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)C(=O)[O-]	REAL300012610865	0	55	0.0	-75.08	384.96	6.41	-68.67
CCN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C(=O)[O-]	REAL300012610865	1	55	0.0	-71.01	382.45	6.24	-64.77
CCCN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(C)C(=O)[O-]	REAL300012610866	0	55	0.0	-68.50	389.90	6.27	-62.23
CCCN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(C)C(=O)[O-]	REAL300012610866	1	55	0.0	-68.10	390.12	6.74	-61.36
C[N@@H+]1CCN(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1(C)C	REAL300012610867	0	49	0.0	-64.05	370.27	5.78	-58.27
C[N@H+]1CCN(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1(C)C	REAL300012610867	1	49	0.0	-66.89	372.78	5.95	-60.94
C[N@@H+]1CCN(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1(C)C	REAL300012610868	0	49	0.0	-64.05	370.27	5.78	-58.27
C[N@H+]1CCN(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1(C)C	REAL300012610868	1	49	0.0	-66.89	372.78	5.95	-60.94
CN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)C(=O)[O-]	REAL300012610869	0	52	0.0	-75.08	365.47	5.50	-69.58
CN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C(=O)[O-]	REAL300012610869	1	52	0.0	-71.14	362.96	5.34	-65.80
C[N@@H+]1CCN(CCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1(C)C	REAL300012610870	0	50	0.0	-79.14	360.13	5.67	-73.47
C[N@H+]1CCN(CCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1(C)C	REAL300012610870	1	50	0.0	-77.15	360.11	5.69	-71.46
C[N@@H+]1CCN(CCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1(C)C	REAL300012610871	0	62	0.0	-59.50	443.99	3.74	-55.76
C[N@H+]1CCN(CCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1(C)C	REAL300012610871	1	62	0.0	-60.19	442.42	3.84	-56.35
C[N@@H+]1CCN(CCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610872	0	51	0.0	-78.97	372.18	2.00	-76.97
C[N@H+]1CCN(CCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610872	1	51	0.0	-81.16	372.16	2.00	-79.16
CN1CCN(CCN(CC(=O)[O-])C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1	REAL300012610873	1	66	0.0	-62.64	471.70	3.76	-58.88
CN1CCN(CCN(CC(=O)[O-])C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1	REAL300012610873	1	66	0.0	-62.78	467.63	3.71	-59.07
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610874	0	57	0.0	-59.61	411.70	8.18	-51.43
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610874	1	57	0.0	-58.85	414.40	8.71	-50.14
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H]1C(=O)[O-]	REAL300012610875	0	60	0.0	-62.02	423.37	8.78	-53.24
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H]1C(=O)[O-]	REAL300012610875	1	60	0.0	-64.86	424.54	8.92	-55.94
CCC[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610876	0	52	0.0	-72.73	382.63	4.60	-68.13
CCC[C@@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610876	1	52	0.0	-71.12	382.89	4.54	-66.58
C[N@@H+]1CCN(CCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1(C)C	REAL300012610877	0	58	0.0	-71.20	417.06	6.98	-64.22
C[N@H+]1CCN(CCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1(C)C	REAL300012610877	1	58	0.0	-69.99	416.08	6.83	-63.16
C[N@@H+]1CCN(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300012610878	0	53	0.0	-70.47	393.90	5.53	-64.94
C[N@H+]1CCN(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300012610878	1	53	0.0	-73.39	396.17	5.78	-67.61
C[N@@H+]1CCN(CCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1(C)C	REAL300012610879	0	58	0.0	-70.48	434.01	5.48	-65.00
C[N@H+]1CCN(CCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1(C)C	REAL300012610879	1	58	0.0	-73.38	436.28	5.71	-67.67
C=CCCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610880	0	53	0.0	-68.56	392.04	4.79	-63.77
C=CCCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610880	1	53	0.0	-69.51	394.54	4.95	-64.56
C[N@@H+]1CCN(CCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1(C)C	REAL300012610881	0	52	0.0	-65.96	402.10	3.47	-62.49
C[N@H+]1CCN(CCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1(C)C	REAL300012610881	1	52	0.0	-67.63	404.61	3.65	-63.98
C[N@@H+]1CCN(CCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1(C)C	REAL300012610882	0	53	0.0	-86.50	390.65	3.24	-83.26
C[N@H+]1CCN(CCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1(C)C	REAL300012610882	1	53	0.0	-86.54	390.63	3.24	-83.30
CN1CC(C(=O)[O-])N(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1=O	REAL300012610883	0	54	0.0	-73.13	388.17	4.97	-68.16
CN1CC(C(=O)[O-])N(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1=O	REAL300012610883	1	54	0.0	-73.22	388.24	4.93	-68.29
C[N@@H+]1CCN(CCNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1(C)C	REAL300012610884	0	53	0.0	-75.28	376.09	6.07	-69.21
C[N@H+]1CCN(CCNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1(C)C	REAL300012610884	1	53	0.0	-77.81	376.10	6.08	-71.73
CC(C)[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610885	0	52	0.0	-70.93	373.41	4.15	-66.78
CC(C)[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610885	1	52	0.0	-72.95	373.42	4.15	-68.80
C[N@@H+]1CCN(CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300012610886	0	53	0.0	-74.78	397.52	5.84	-68.94
C[N@H+]1CCN(CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300012610886	1	53	0.0	-72.65	396.91	5.87	-66.78
C[N@@H+]1CCN(CCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1(C)C	REAL300012610887	0	56	0.0	-68.79	407.70	4.90	-63.89
C[N@H+]1CCN(CCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1(C)C	REAL300012610887	1	56	0.0	-71.02	410.21	5.07	-65.95
C[C@@H](C(=O)[O-])N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610888	0	49	0.0	-67.03	352.40	4.83	-62.20
C[C@@H](C(=O)[O-])N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610888	1	49	0.0	-68.51	352.42	4.84	-63.67
CCC[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610889	0	52	0.0	-69.16	380.90	4.40	-64.76
CCC[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610889	1	52	0.0	-67.44	378.39	4.23	-63.21
CCN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(C)C(=O)[O-]	REAL300012610890	0	52	0.0	-73.21	371.16	6.16	-67.05
CCN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(C)C(=O)[O-]	REAL300012610890	1	52	0.0	-65.25	364.93	5.19	-60.06
C[N@@H+]1CCN(CCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1(C)C	REAL300012610891	0	56	0.0	-58.36	391.99	6.83	-51.53
C[N@H+]1CCN(CCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1(C)C	REAL300012610891	1	56	0.0	-58.61	394.50	7.01	-51.60
CC(CN(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610892	0	52	0.0	-70.15	370.58	5.10	-65.05
CC(CN(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610892	1	52	0.0	-71.30	370.01	5.21	-66.09
CC[C@H](C)[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610893	0	55	0.0	-70.87	391.47	4.59	-66.28
CC[C@H](C)[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610893	1	55	0.0	-67.84	387.31	4.39	-63.45
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610894	0	52	0.0	-67.57	372.99	5.96	-61.61
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610894	1	52	0.0	-68.90	372.36	5.81	-63.09
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1(C)C	REAL300012610895	0	54	0.0	-76.34	394.78	1.76	-74.58
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1(C)C	REAL300012610895	1	54	0.0	-77.90	394.77	1.77	-76.13
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610896	0	62	0.0	-73.83	445.39	5.04	-68.79
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610896	1	62	0.0	-69.55	438.17	4.62	-64.93
CC1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)(C(=O)[O-])C1	REAL300012610897	0	56	0.0	-75.81	395.42	5.37	-70.44
CC1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)(C(=O)[O-])C1	REAL300012610897	1	56	0.0	-75.00	396.57	5.53	-69.47
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1(C)C	REAL300012610898	0	59	0.0	-77.76	406.93	6.24	-71.52
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1(C)C	REAL300012610898	1	59	0.0	-75.40	406.91	6.24	-69.16
COCCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610899	0	53	0.0	-69.81	393.90	2.68	-67.13
COCCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610899	1	53	0.0	-68.62	391.16	2.58	-66.04
CN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012610900	0	59	0.0	-70.88	427.23	8.56	-62.32
CN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012610900	1	59	0.0	-68.01	425.23	8.49	-59.52
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1(C)C	REAL300012610901	0	56	0.0	-76.43	398.95	6.19	-70.24
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1(C)C	REAL300012610901	1	56	0.0	-78.32	398.93	6.20	-72.12
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1(C)C	REAL300012610902	0	53	0.0	-73.99	390.12	4.90	-69.09
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1(C)C	REAL300012610902	1	53	0.0	-74.58	389.72	4.86	-69.72
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610903	0	62	0.0	-75.17	445.27	5.05	-70.12
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610903	1	62	0.0	-70.79	441.61	4.74	-66.05
C[N@@H+]1CCN(CCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610904	0	51	0.0	-83.17	370.81	2.17	-81.00
C[N@H+]1CCN(CCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610904	1	51	0.0	-85.31	370.81	2.18	-83.13
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCOC2)CC1(C)C	REAL300012610905	0	54	0.0	-70.39	388.64	2.71	-67.68
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCOC2)CC1(C)C	REAL300012610905	1	54	0.0	-72.29	388.63	2.71	-69.58
C[N@@H+]1CCN(CCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1(C)C	REAL300012610906	0	54	0.0	-76.61	378.58	6.49	-70.12
C[N@H+]1CCN(CCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1(C)C	REAL300012610906	1	54	0.0	-80.95	382.24	6.82	-74.13
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1(C)C	REAL300012610907	0	57	0.0	-76.67	426.01	5.60	-71.07
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1(C)C	REAL300012610907	1	57	0.0	-82.27	429.46	5.91	-76.36
C[N@@H+]1CCN(CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1(C)C	REAL300012610908	0	52	0.0	-79.71	375.92	4.34	-75.37
C[N@H+]1CCN(CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1(C)C	REAL300012610908	1	52	0.0	-78.54	374.74	4.50	-74.04
CC1CCC(C(=O)[O-])N(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1	REAL300012610909	0	56	0.0	-80.49	391.76	7.31	-73.18
CC1CCC(C(=O)[O-])N(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1	REAL300012610909	1	56	0.0	-79.98	391.85	7.27	-72.71
CC(C1=CC=CC=C1)C(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610910	0	59	0.0	-69.56	432.65	6.95	-62.61
CC(C1=CC=CC=C1)C(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610910	1	59	0.0	-68.94	431.24	6.82	-62.12
C[N@@H+]1CCN(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1(C)C	REAL300012610911	0	60	0.0	-68.63	425.94	7.27	-61.36
C[N@H+]1CCN(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1(C)C	REAL300012610911	1	60	0.0	-71.91	428.45	7.45	-64.46
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCC2)CC1(C)C	REAL300012610912	0	53	0.0	-69.10	384.64	4.51	-64.59
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCC2)CC1(C)C	REAL300012610912	1	53	0.0	-74.19	388.15	4.82	-69.37
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1(C)C	REAL300012610913	0	66	0.0	-73.72	454.76	6.62	-67.10
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1(C)C	REAL300012610913	1	66	0.0	-74.65	453.63	6.39	-68.26
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1(C)C	REAL300012610914	0	59	0.0	-67.67	413.53	5.87	-61.80
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1(C)C	REAL300012610914	1	59	0.0	-74.79	420.04	6.23	-68.56
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCC2)CC1(C)C	REAL300012610915	0	53	0.0	-69.10	384.64	4.51	-64.59
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCC2)CC1(C)C	REAL300012610915	1	53	0.0	-74.19	388.15	4.82	-69.37
CC1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1C(=O)[O-]	REAL300012610916	0	53	0.0	-79.36	380.35	5.82	-73.54
CC1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1C(=O)[O-]	REAL300012610916	1	53	0.0	-77.99	375.40	6.08	-71.91
C=CCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610917	0	50	0.0	-68.07	370.77	3.97	-64.10
C=CCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610917	1	50	0.0	-68.78	372.71	4.08	-64.70
C[N@@H+]1CCN(CCNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1(C)C	REAL300012610918	0	60	0.0	-71.23	433.63	5.50	-65.73
C[N@H+]1CCN(CCNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1(C)C	REAL300012610918	1	60	0.0	-72.77	433.37	5.57	-67.20
C[N@@H+]1CCN(CCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1(C)C	REAL300012610919	0	60	0.0	-57.64	403.51	7.16	-50.48
C[N@H+]1CCN(CCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1(C)C	REAL300012610919	1	60	0.0	-58.47	411.25	7.59	-50.88
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1(C)C	REAL300012610920	0	60	0.0	-76.87	411.39	4.80	-72.07
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1(C)C	REAL300012610920	1	60	0.0	-72.97	410.25	4.65	-68.32
CC1=CC=CC2=C1CCN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C2C(=O)[O-]	REAL300012610921	0	60	0.0	-87.35	426.01	9.34	-78.01
CC1=CC=CC2=C1CCN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C2C(=O)[O-]	REAL300012610921	1	60	0.0	-85.04	424.86	9.19	-75.85
C[N@@H+]1CCN(CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1(C)C	REAL300012610922	0	54	0.0	-59.40	379.26	6.39	-53.01
C[N@H+]1CCN(CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1(C)C	REAL300012610922	1	54	0.0	-61.85	382.92	6.70	-55.15
C[N@@H+]1CCN(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1(C)C	REAL300012610923	0	60	0.0	-68.63	425.94	7.27	-61.36
C[N@H+]1CCN(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1(C)C	REAL300012610923	1	60	0.0	-71.91	428.45	7.45	-64.46
C[N@@H+]1CCN(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1(C)C	REAL300012610924	0	56	0.0	-66.07	421.68	6.55	-59.52
C[N@H+]1CCN(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1(C)C	REAL300012610924	1	56	0.0	-67.75	424.19	6.72	-61.03
COC1CC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)(C(=O)[O-])C1	REAL300012610925	0	54	0.0	-79.79	395.87	3.44	-76.35
COC1CC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)(C(=O)[O-])C1	REAL300012610925	1	54	0.0	-73.84	394.14	3.35	-70.49
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1(C)C	REAL300012610926	0	50	0.0	-73.55	371.22	4.50	-69.05
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1(C)C	REAL300012610926	1	50	0.0	-74.07	370.06	4.36	-69.71
CO[C@H]1C[C@](NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)(C(=O)[O-])C1	REAL300012610927	0	54	0.0	-75.92	394.63	3.73	-72.19
CO[C@H]1C[C@](NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)(C(=O)[O-])C1	REAL300012610927	1	54	0.0	-69.86	390.81	3.43	-66.43
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1(C)C	REAL300012610928	0	53	0.0	-64.98	399.97	5.38	-59.60
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1(C)C	REAL300012610928	1	53	0.0	-67.27	401.97	5.31	-61.96
CCC1(C(=O)[O-])CCCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610929	0	56	0.0	-79.43	393.35	7.48	-71.95
CCC1(C(=O)[O-])CCCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610929	1	56	0.0	-73.75	389.34	7.09	-66.66
C[N@@H+]1CCN(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1(C)C	REAL300012610930	0	49	0.0	-63.41	373.66	4.15	-59.26
C[N@H+]1CCN(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1(C)C	REAL300012610930	1	49	0.0	-64.85	376.17	4.31	-60.54
C[N@@H+]1CCN(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1(C)C	REAL300012610931	0	57	0.0	-68.99	412.59	3.51	-65.48
C[N@H+]1CCN(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1(C)C	REAL300012610931	1	57	0.0	-68.90	410.57	3.51	-65.39
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])COC2)CC1(C)C	REAL300012610932	0	48	0.0	-69.97	352.96	1.54	-68.43
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])COC2)CC1(C)C	REAL300012610932	1	48	0.0	-70.23	351.81	1.39	-68.84
C[N@@H+]1CCN(CCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1(C)C	REAL300012610933	0	53	0.0	-68.96	408.03	5.52	-63.44
C[N@H+]1CCN(CCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1(C)C	REAL300012610933	1	53	0.0	-70.87	410.54	5.68	-65.19
COCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012610934	0	60	0.0	-73.48	437.37	5.70	-67.78
COCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012610934	1	60	0.0	-69.86	434.87	5.53	-64.33
CC(C)C(C)(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610935	0	55	0.0	-70.12	379.30	4.62	-65.50
CC(C)C(C)(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610935	1	55	0.0	-68.20	378.60	4.52	-63.68
C[N@@H+]1CCN(CCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610936	0	51	0.0	-80.17	366.26	6.70	-73.47
C[N@H+]1CCN(CCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610936	1	51	0.0	-82.61	367.41	6.88	-75.73
C[N@@H+]1CCN(CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610937	0	54	0.0	-79.12	383.60	6.45	-72.67
C[N@H+]1CCN(CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610937	1	54	0.0	-81.14	383.60	6.46	-74.68
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610938	0	59	0.0	-58.57	426.06	9.52	-49.05
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610938	1	59	0.0	-55.63	426.48	9.14	-46.49
C[N@@H+]1CCN(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1(C)C	REAL300012610939	0	62	0.0	-69.04	437.85	6.73	-62.31
C[N@H+]1CCN(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1(C)C	REAL300012610939	1	62	0.0	-73.78	441.71	6.97	-66.81
C[N@@H+]1CCN(CCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1(C)C	REAL300012610940	0	59	0.0	-69.08	439.13	7.25	-61.83
C[N@H+]1CCN(CCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1(C)C	REAL300012610940	1	59	0.0	-70.30	440.81	7.43	-62.87
C[N@@H+]1CCN(CCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1(C)C	REAL300012610941	0	59	0.0	-69.73	439.13	7.25	-62.48
C[N@H+]1CCN(CCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1(C)C	REAL300012610941	1	59	0.0	-73.64	442.54	7.62	-66.02
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1(C)C	REAL300012610942	0	60	0.0	-70.71	420.03	6.11	-64.60
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1(C)C	REAL300012610942	1	60	0.0	-73.74	420.84	6.51	-67.23
C[N@@H+]1CCN(CCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1(C)C	REAL300012610943	0	62	0.0	-71.41	441.47	7.03	-64.38
C[N@H+]1CCN(CCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1(C)C	REAL300012610943	1	62	0.0	-73.53	441.46	7.03	-66.50
C[N@@H+]1CCN(CCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1(C)C	REAL300012610944	0	62	0.0	-68.11	437.23	6.67	-61.44
C[N@H+]1CCN(CCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1(C)C	REAL300012610944	1	62	0.0	-71.21	440.87	6.98	-64.23
C[N@@H+]1CCN(CCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1(C)C	REAL300012610945	0	60	0.0	-57.54	419.20	7.28	-50.26
C[N@H+]1CCN(CCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1(C)C	REAL300012610945	1	60	0.0	-57.66	421.71	7.46	-50.20
C[N@@H+]1CCN(CCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610946	0	60	0.0	-75.95	414.24	7.14	-68.81
C[N@H+]1CCN(CCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610946	1	60	0.0	-79.93	416.73	7.32	-72.61
COC1=CC=C(CC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])C=C1	REAL300012610947	0	60	0.0	-72.08	449.00	6.14	-65.94
COC1=CC=C(CC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])C=C1	REAL300012610947	1	60	0.0	-69.22	445.59	5.77	-63.45
C=CCSCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610948	0	54	0.0	-66.64	415.70	5.26	-61.38
C=CCSCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610948	1	54	0.0	-67.93	417.98	5.49	-62.44
C[N@@H+]1CCN(CCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1(C)C	REAL300012610949	0	57	0.0	-68.38	436.91	6.87	-61.51
C[N@H+]1CCN(CCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1(C)C	REAL300012610949	1	57	0.0	-71.70	440.59	7.18	-64.52
CCC(C(=O)[O-])N(CC)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610950	0	55	0.0	-74.32	386.96	7.08	-67.24
CCC(C(=O)[O-])N(CC)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610950	1	55	0.0	-65.94	381.93	6.15	-59.79
COC1(C(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])CCC1	REAL300012610951	0	57	0.0	-76.55	409.84	3.55	-73.00
COC1(C(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])CCC1	REAL300012610951	1	57	0.0	-74.46	409.87	3.55	-70.91
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1(C)C	REAL300012610952	0	59	0.0	-72.98	416.49	6.07	-66.91
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1(C)C	REAL300012610952	1	59	0.0	-74.10	415.34	5.93	-68.17
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1(C)C	REAL300012610953	0	60	0.0	-77.82	428.87	7.90	-69.92
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1(C)C	REAL300012610953	1	60	0.0	-74.15	427.73	7.76	-66.39
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1(C)C	REAL300012610954	0	53	0.0	-77.98	394.37	5.32	-72.66
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1(C)C	REAL300012610954	1	53	0.0	-80.07	394.35	5.33	-74.74
CC(C)C1=CC=C(C(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])C=C1	REAL300012610956	0	62	0.0	-74.32	457.79	7.77	-66.55
CC(C)C1=CC=C(C(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])C=C1	REAL300012610956	1	62	0.0	-69.45	454.09	7.46	-61.99
C[N@@H+]1CCN(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1(C)C	REAL300012610957	0	50	0.0	-71.29	363.73	5.14	-66.15
C[N@H+]1CCN(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1(C)C	REAL300012610957	1	50	0.0	-72.90	365.49	5.60	-67.30
C[N@@H+]1CCN(CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1(C)C	REAL300012610958	0	52	0.0	-61.22	376.22	6.50	-54.72
C[N@H+]1CCN(CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1(C)C	REAL300012610958	1	52	0.0	-57.82	374.51	6.30	-51.52
C[N@@H+]1CCN(CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1(C)C	REAL300012610959	0	56	0.0	-79.16	396.31	6.34	-72.82
C[N@H+]1CCN(CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1(C)C	REAL300012610959	1	56	0.0	-79.91	395.16	6.20	-73.71
CCOC1=CC=C(C(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C(=O)[O-])C=C1	REAL300012610960	0	60	0.0	-74.10	448.88	6.06	-68.04
CCOC1=CC=C(C(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C(=O)[O-])C=C1	REAL300012610960	1	60	0.0	-68.80	444.61	5.78	-63.02
C[N@@H+]1CCN(CCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1(C)C	REAL300012610961	0	60	0.0	-82.06	417.20	8.65	-73.41
C[N@H+]1CCN(CCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1(C)C	REAL300012610961	1	60	0.0	-80.91	416.62	8.42	-72.49
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1(C)C	REAL300012610962	0	60	0.0	-74.03	437.28	8.32	-65.71
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1(C)C	REAL300012610962	1	60	0.0	-71.77	437.27	8.31	-63.46
C[N@@H+]1CCN(CCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1(C)C	REAL300012610963	0	60	0.0	-74.06	436.32	6.56	-67.50
C[N@H+]1CCN(CCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1(C)C	REAL300012610963	1	60	0.0	-75.58	438.83	6.74	-68.84
C[N@@H+]1CCN(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1(C)C	REAL300012610964	0	56	0.0	-76.11	432.94	6.79	-69.32
C[N@H+]1CCN(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1(C)C	REAL300012610964	1	56	0.0	-74.90	433.77	6.78	-68.12
CC(C)CCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610965	0	58	0.0	-69.86	420.79	5.68	-64.18
CC(C)CCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610965	1	58	0.0	-68.50	418.05	5.58	-62.92
C[N@@H+]1CCN(CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1(C)C	REAL300012610966	0	57	0.0	-61.37	407.94	7.12	-54.25
C[N@H+]1CCN(CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1(C)C	REAL300012610966	1	57	0.0	-60.76	405.87	7.03	-53.73
C[N@@H+]1CCN(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1(C)C	REAL300012610967	0	57	0.0	-68.99	412.59	3.51	-65.48
C[N@H+]1CCN(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1(C)C	REAL300012610967	1	57	0.0	-68.90	410.57	3.51	-65.39
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1	REAL300012610968	0	54	0.0	-74.99	403.34	6.84	-68.15
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1	REAL300012610968	1	54	0.0	-70.91	399.76	6.54	-64.37
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1(C)C	REAL300012610969	0	57	0.0	-72.95	393.09	6.31	-66.64
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1(C)C	REAL300012610969	1	57	0.0	-76.89	396.75	6.62	-70.27
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1(C)C	REAL300012610970	0	54	0.0	-72.60	380.22	5.40	-67.20
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1(C)C	REAL300012610970	1	54	0.0	-78.55	383.81	5.74	-72.81
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1(C)C	REAL300012610971	0	57	0.0	-75.02	404.88	6.11	-68.91
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1(C)C	REAL300012610971	1	57	0.0	-77.07	404.88	6.11	-70.96
CN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012610972	0	59	0.0	-72.51	430.33	8.84	-63.67
CN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012610972	1	59	0.0	-67.96	424.72	8.39	-59.57
C[N@@H+]1CCN(CCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1(C)C	REAL300012610973	0	63	0.0	-61.36	436.99	8.08	-53.28
C[N@H+]1CCN(CCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1(C)C	REAL300012610973	1	63	0.0	-58.58	436.98	8.08	-50.50
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCCC2)CC1(C)C	REAL300012610974	0	56	0.0	-67.99	397.03	5.09	-62.90
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCCC2)CC1(C)C	REAL300012610974	1	56	0.0	-71.20	401.64	5.29	-65.91
CO[C@H](C)[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610975	0	53	0.0	-70.67	389.75	2.86	-67.81
CO[C@H](C)[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610975	1	53	0.0	-69.63	387.73	2.69	-66.94
CC1[C@@H](C)[C@@]1(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610976	0	53	0.0	-74.84	379.37	5.17	-69.67
CC1[C@@H](C)[C@@]1(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610976	1	53	0.0	-70.78	371.89	4.70	-66.08
C[N@@H+]1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1(C)C	REAL300012610977	0	56	0.0	-59.24	414.66	8.27	-50.97
C[N@H+]1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1(C)C	REAL300012610977	1	56	0.0	-59.49	417.16	8.44	-51.05
C[N@@H+]1CCN(CCNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1(C)C	REAL300012610978	0	56	0.0	-57.94	397.25	6.11	-51.83
C[N@H+]1CCN(CCNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1(C)C	REAL300012610978	1	56	0.0	-58.11	399.76	6.30	-51.81
C[N@@H+]1CCN(CCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1(C)C	REAL300012610979	0	53	0.0	-77.78	382.33	6.78	-71.00
C[N@H+]1CCN(CCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1(C)C	REAL300012610979	1	53	0.0	-76.25	381.18	6.64	-69.61
C[N@@H+]1CCN(CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1(C)C	REAL300012610980	0	50	0.0	-81.81	371.83	5.82	-75.99
C[N@H+]1CCN(CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1(C)C	REAL300012610980	1	50	0.0	-78.11	370.67	5.68	-72.43
C[N@@H+]1CCN(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1(C)C	REAL300012610981	0	56	0.0	-66.07	421.68	6.55	-59.52
C[N@H+]1CCN(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1(C)C	REAL300012610981	1	56	0.0	-67.75	424.19	6.72	-61.03
C[N@@H+]1CCN(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1(C)C	REAL300012610982	0	53	0.0	-68.74	407.05	5.40	-63.34
C[N@H+]1CCN(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1(C)C	REAL300012610982	1	53	0.0	-71.27	410.38	5.76	-65.51
C[N@@H+]1CCN(CCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1(C)C	REAL300012610983	0	53	0.0	-66.26	385.67	6.04	-60.22
C[N@H+]1CCN(CCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1(C)C	REAL300012610983	1	53	0.0	-68.36	388.18	6.21	-62.15
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1(C)C	REAL300012610984	0	57	0.0	-75.65	424.56	6.53	-69.12
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1(C)C	REAL300012610984	1	57	0.0	-75.78	423.42	6.37	-69.41
C[N@@H+]1CCN(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1(C)C	REAL300012610985	0	53	0.0	-68.74	407.05	5.40	-63.34
C[N@H+]1CCN(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1(C)C	REAL300012610985	1	53	0.0	-71.27	410.38	5.76	-65.51
C[N@@H+]1CCN(CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610986	0	57	0.0	-76.50	395.01	6.71	-69.79
C[N@H+]1CCN(CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610986	1	57	0.0	-81.50	397.61	6.72	-74.78
COCCCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610987	0	56	0.0	-69.59	415.40	3.46	-66.13
COCCCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610987	1	56	0.0	-68.38	412.90	3.30	-65.08
CCCC(C(=O)[O-])N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610988	0	55	0.0	-67.23	392.15	6.39	-60.84
CCCC(C(=O)[O-])N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610988	1	55	0.0	-65.54	390.19	6.26	-59.28
CCOCC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610989	0	53	0.0	-71.84	393.94	2.85	-68.99
CCOCC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300012610989	1	53	0.0	-70.93	391.44	2.67	-68.26
C[N@@H+]1CCN(CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1(C)C	REAL300012610990	0	58	0.0	-67.94	407.69	5.86	-62.08
C[N@H+]1CCN(CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1(C)C	REAL300012610990	1	58	0.0	-72.30	410.83	6.08	-66.22
C[N@@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1(C)C	REAL300012610991	0	57	0.0	-74.83	411.88	3.91	-70.92
C[N@H+]1CCN(CCNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1(C)C	REAL300012610991	1	57	0.0	-74.18	412.62	4.33	-69.85
C[N@@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1(C)C	REAL300012610992	0	57	0.0	-75.39	416.87	7.15	-68.24
C[N@H+]1CCN(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1(C)C	REAL300012610992	1	57	0.0	-75.98	415.73	7.02	-68.96
C[C@H]1OCCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H]1C(=O)[O-]	REAL300012610993	0	54	0.0	-77.99	381.65	5.11	-72.88
C[C@H]1OCCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H]1C(=O)[O-]	REAL300012610993	1	54	0.0	-80.15	382.82	5.26	-74.89
C[N@@H+]1CCN(CCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610994	0	56	0.0	-67.89	399.17	6.34	-61.55
C[N@H+]1CCN(CCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1(C)C	REAL300012610994	1	56	0.0	-71.70	403.11	6.65	-65.05
C[N@@H+]1CCN(CCNC(=O)NC(CCC#N)C(=O)[O-])CC1(C)C	REAL300012610995	0	50	0.0	-69.59	378.35	4.02	-65.57
C[N@H+]1CCN(CCNC(=O)NC(CCC#N)C(=O)[O-])CC1(C)C	REAL300012610995	1	50	0.0	-70.08	380.26	4.14	-65.94
C[N@@H+]1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1(C)C	REAL300012610996	0	53	0.0	-59.86	396.32	6.41	-53.45
C[N@H+]1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1(C)C	REAL300012610996	1	53	0.0	-60.36	398.83	6.58	-53.78
C[N@@H+]1CCN(CCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1(C)C	REAL300012610997	0	64	0.0	-79.27	433.64	7.22	-72.05
C[N@H+]1CCN(CCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1(C)C	REAL300012610997	1	64	0.0	-78.88	432.48	7.06	-71.82
C[N@@H+]1CCN(CCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1(C)C	REAL300012610998	0	55	0.0	-66.16	427.94	5.09	-61.07
C[N@H+]1CCN(CCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1(C)C	REAL300012610998	1	55	0.0	-70.21	431.54	5.40	-64.81
C[C@H](C(=O)[O-])N(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300012610999	0	49	0.0	-67.48	350.75	4.58	-62.90
C[C@H](C(=O)[O-])N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300012610999	1	49	0.0	-64.99	348.75	4.52	-60.47
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1	REAL300012611000	0	57	0.0	-76.02	414.11	5.50	-70.52
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CC(C)C[C@H](NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611001	1	57	0.0	-68.07	405.89	8.78	-59.29
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CC1=CC(C(NC(=O)NCC2CCC[N@@H+]2C2CCCCC2)C(=O)[O-])=CC(C)=C1	REAL300012611010	0	61	0.0	-71.85	445.21	10.15	-61.70
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CC1=CC=CC(C(NC(=O)NCC2CCC[N@@H+]2C2CCCCC2)C(=O)[O-])=C1C	REAL300012611012	0	61	0.0	-70.23	439.63	10.20	-60.03
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CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300012611013	0	54	0.0	-54.00	385.78	9.34	-44.66
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CCCN(C(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(COC)C(=O)[O-]	REAL300012611015	0	61	0.0	-67.28	423.71	8.95	-58.33
CCCN(C(=O)NCC1CCC[N@H+]1C1CCCCC1)C(COC)C(=O)[O-]	REAL300012611015	1	61	0.0	-70.30	420.82	10.14	-60.16
CCCN(C(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(CC)C(=O)[O-]	REAL300012611016	0	60	0.0	-48.04	412.09	11.21	-36.83
CCCN(C(=O)NCC1CCC[N@H+]1C1CCCCC1)C(CC)C(=O)[O-]	REAL300012611016	1	60	0.0	-40.39	404.75	11.95	-28.44
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CCC(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611029	0	51	0.0	-69.63	365.97	6.83	-62.80
CCC(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611029	1	51	0.0	-71.61	362.20	8.01	-63.60
CC(C)C(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611030	0	54	0.0	-69.22	378.09	7.14	-62.08
CC(C)C(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611030	1	54	0.0	-69.49	378.16	8.66	-60.83
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300012611031	0	58	0.0	-69.94	424.54	9.79	-60.15
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300012611031	1	58	0.0	-71.77	420.13	11.20	-60.57
CCC(C)C(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611032	0	57	0.0	-71.69	401.31	8.12	-63.57
CCC(C)C(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611032	1	57	0.0	-72.45	396.14	9.43	-63.02
O=C([O-])C1CCCCN1C(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300012611033	0	55	0.0	-79.48	376.91	9.93	-69.55
O=C([O-])C1CCCCN1C(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300012611033	1	55	0.0	-82.45	373.46	11.20	-71.25
CCCC(C)(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611034	0	57	0.0	-71.08	391.77	7.95	-63.13
CCCC(C)(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611034	1	57	0.0	-72.04	388.54	9.18	-62.86
CC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300012611035	0	54	0.0	-72.05	374.89	8.85	-63.20
CC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300012611035	1	54	0.0	-69.38	354.19	9.62	-59.76
O=C([O-])CN(C(=O)NCC1CCC[N@@H+]1C1CCCCC1)C1CC1	REAL300012611036	0	52	0.0	-54.15	368.00	9.02	-45.13
O=C([O-])CN(C(=O)NCC1CCC[N@H+]1C1CCCCC1)C1CC1	REAL300012611036	1	52	0.0	-58.08	364.04	10.34	-47.74
C=CCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300012611037	0	52	0.0	-58.14	376.67	9.16	-48.98
C=CCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300012611037	1	52	0.0	-58.23	373.36	10.39	-47.84
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300012611038	0	57	0.0	-55.40	401.08	9.83	-45.57
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300012611038	1	57	0.0	-56.55	399.14	10.82	-45.73
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300012611039	0	59	0.0	-81.13	416.79	11.96	-69.17
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300012611039	1	59	0.0	-83.90	411.99	13.32	-70.58
CC(C)(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611040	0	51	0.0	-59.57	356.94	6.14	-53.43
CC(C)(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611040	1	51	0.0	-59.68	353.71	7.36	-52.32
CC(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)(C(=O)[O-])C1CC1	REAL300012611041	0	55	0.0	-69.30	379.99	7.82	-61.48
CC(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)(C(=O)[O-])C1CC1	REAL300012611041	1	55	0.0	-63.78	381.66	8.50	-55.28
O=C([O-])C(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C1=CC=CS1	REAL300012611042	0	52	0.0	-69.28	401.52	8.25	-61.03
O=C([O-])C(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C1=CC=CS1	REAL300012611042	1	52	0.0	-63.23	394.93	9.03	-54.20
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+]2C2CCCCC2)CCCCC1	REAL300012611043	0	58	0.0	-70.89	407.66	9.56	-61.33
O=C([O-])C1(NC(=O)NCC2CCC[N@H+]2C2CCCCC2)CCCCC1	REAL300012611043	1	58	0.0	-71.78	404.09	9.40	-62.38
CC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300012611044	0	54	0.0	-72.05	374.89	8.85	-63.20
CC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300012611044	1	54	0.0	-69.38	354.19	9.62	-59.76
CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300012611045	0	54	0.0	-54.00	385.78	9.34	-44.66
CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300012611045	1	54	0.0	-58.55	382.05	10.57	-47.98
CCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300012611046	0	51	0.0	-70.38	364.50	8.59	-61.79
CCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300012611046	1	51	0.0	-71.17	360.63	9.83	-61.34
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611047	0	57	0.0	-70.52	397.30	7.72	-62.80
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611047	1	57	0.0	-73.42	394.26	8.95	-64.47
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+]2C2CCCCC2)CCCC1	REAL300012611048	0	55	0.0	-72.14	388.96	8.27	-63.87
O=C([O-])C1(NC(=O)NCC2CCC[N@H+]2C2CCCCC2)CCCC1	REAL300012611048	1	55	0.0	-73.84	377.52	9.07	-64.77
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300012611049	0	58	0.0	-54.64	437.30	12.00	-42.64
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300012611049	1	58	0.0	-54.81	437.71	11.95	-42.86
CCC(C)(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611050	0	54	0.0	-69.43	370.23	7.19	-62.24
CCC(C)(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611050	1	54	0.0	-71.64	367.04	8.42	-63.22
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O=C([O-])C1(NC(=O)NCC2CCC[N@H+]2C2CCCCC2)CC2=CC=CC=C2C1	REAL300012611051	1	59	0.0	-75.43	418.26	11.43	-64.00
O=C([O-])C(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C1=CC(F)=CC=C1F	REAL300012611052	0	55	0.0	-71.63	412.49	9.00	-62.63
O=C([O-])C(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C1=CC(F)=CC=C1F	REAL300012611052	1	55	0.0	-74.01	409.98	10.23	-63.78
CC(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012611053	0	58	0.0	-72.35	410.85	9.63	-62.72
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CCC[C@@H](NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611177	0	54	0.0	-68.37	387.67	7.61	-60.76
CCC[C@@H](NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611177	1	54	0.0	-69.97	383.79	8.94	-61.03
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CC(CN1C=CC=N1)(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611187	1	58	0.0	-70.78	419.81	8.40	-62.38
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300012611188	0	51	0.0	-67.63	356.01	7.84	-59.79
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300012611188	1	51	0.0	-68.61	352.64	9.08	-59.53
CCC[C@H](NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611189	0	54	0.0	-72.00	387.42	7.49	-64.51
CCC[C@H](NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611189	1	54	0.0	-67.63	388.68	8.25	-59.38
CCN(C(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(C)C(=O)[O-]	REAL300012611190	0	54	0.0	-68.45	374.68	8.78	-59.67
CCN(C(=O)NCC1CCC[N@H+]1C1CCCCC1)C(C)C(=O)[O-]	REAL300012611190	1	54	0.0	-67.73	371.98	9.93	-57.80
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O=C([O-])CN(C(=O)NCC1CCC[N@H+]1C1CCCCC1)C1CCCC1	REAL300012611191	1	58	0.0	-56.17	407.50	10.45	-45.72
CC(CN(C)C(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611192	0	54	0.0	-74.42	379.08	8.66	-65.76
CC(CN(C)C(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611192	1	54	0.0	-73.20	376.29	9.43	-63.77
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611193	0	57	0.0	-70.52	397.30	7.72	-62.80
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611193	1	57	0.0	-73.42	394.26	8.95	-64.47
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300012611194	0	54	0.0	-69.20	376.60	8.97	-60.23
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300012611194	1	54	0.0	-69.24	370.19	10.06	-59.18
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+]2C2CCCCC2)CC(CO)C1	REAL300012611195	0	56	0.0	-74.39	399.89	4.69	-69.70
O=C([O-])C1(NC(=O)NCC2CCC[N@H+]2C2CCCCC2)CC(CO)C1	REAL300012611195	1	56	0.0	-75.49	396.43	5.93	-69.56
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611196	0	64	0.0	-72.06	447.19	7.93	-64.13
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611196	1	64	0.0	-71.10	451.00	8.70	-62.40
CC1CCC(NC(=O)NCC2CCC[N@@H+]2C2CCCCC2)(C(=O)[O-])C1	REAL300012611197	0	58	0.0	-73.57	402.42	8.41	-65.16
CC1CCC(NC(=O)NCC2CCC[N@H+]2C2CCCCC2)(C(=O)[O-])C1	REAL300012611197	1	58	0.0	-75.95	398.08	9.78	-66.17
CC1(C)CCCC1(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611198	0	61	0.0	-71.36	419.29	9.48	-61.88
CC1(C)CCCC1(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611198	1	61	0.0	-66.51	413.39	10.24	-56.27
COCCC(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611199	0	55	0.0	-72.11	400.08	5.78	-66.33
COCCC(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611199	1	55	0.0	-69.96	395.96	7.22	-62.74
CN(C(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012611200	0	61	0.0	-67.62	433.49	11.82	-55.80
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CC1(C)CC(NC(=O)NCC2CCC[N@@H+]2C2CCCCC2)(C(=O)[O-])C1	REAL300012611201	0	58	0.0	-72.22	411.60	9.47	-62.75
CC1(C)CC(NC(=O)NCC2CCC[N@H+]2C2CCCCC2)(C(=O)[O-])C1	REAL300012611201	1	58	0.0	-75.69	401.77	10.15	-65.54
CC1(C(NC(=O)NCC2CCC[N@@H+]2C2CCCCC2)C(=O)[O-])CC1	REAL300012611202	0	55	0.0	-69.88	390.91	7.77	-62.11
CC1(C(NC(=O)NCC2CCC[N@H+]2C2CCCCC2)C(=O)[O-])CC1	REAL300012611202	1	55	0.0	-71.00	388.06	9.05	-61.95
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611203	0	64	0.0	-70.94	450.08	8.05	-62.89
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611203	1	64	0.0	-72.80	446.47	9.34	-63.46
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300012611204	0	53	0.0	-82.93	376.61	5.16	-77.77
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300012611204	1	53	0.0	-75.56	374.88	6.10	-69.46
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O=C([O-])C(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C1=CNC2=CC=CC=C12	REAL300012611207	0	59	0.0	-77.23	433.75	8.92	-68.31
O=C([O-])C(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C1=CNC2=CC=CC=C12	REAL300012611207	1	59	0.0	-79.80	430.73	10.14	-69.66
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CC1CCC(C(=O)[O-])N(C(=O)NCC2CCC[N@H+]2C2CCCCC2)C1	REAL300012611209	1	58	0.0	-83.86	389.32	12.04	-71.82
CC(C1=CC=CC=C1)C(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611210	0	61	0.0	-70.76	440.66	10.01	-60.75
CC(C1=CC=CC=C1)C(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611210	1	61	0.0	-71.82	435.08	11.36	-60.46
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CCOCC(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611281	0	55	0.0	-73.27	399.98	5.97	-67.30
CCOCC(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611281	1	55	0.0	-73.90	396.73	7.20	-66.70
CC(C)(C)CC(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300012611282	0	60	0.0	-68.18	416.50	9.21	-58.97
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C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300012611288	1	51	0.0	-68.64	353.54	9.02	-59.62
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+]2C2CCCCC2)C1	REAL300012611289	0	59	0.0	-73.93	419.13	8.80	-65.13
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+]2C2CCCCC2)C1	REAL300012611289	1	59	0.0	-68.92	419.73	9.67	-59.25
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC(O)=CC(F)=C2)CC1	REAL300012611450	0	54	0.0	-60.88	424.91	5.17	-55.71
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CC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC(C)=N1	REAL300012611884	0	55	0.0	-63.83	429.29	6.87	-56.96
C=CCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCCC1	REAL300012612372	0	60	0.0	-63.65	443.86	9.04	-54.61
COC1CCCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012612605	0	57	0.0	-63.05	425.97	6.11	-56.94
CC1CC(C)CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012612823	0	59	0.0	-63.27	428.16	8.08	-55.19
C#CCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012612965	0	48	0.0	-59.45	374.84	6.23	-53.22
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CO2)CC1	REAL300012613092	0	50	0.0	-60.91	388.22	6.06	-54.85
C=C(C)CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012613214	0	50	0.0	-58.21	381.98	6.15	-52.06
CC#CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012613301	0	48	0.0	-59.92	375.17	6.41	-53.51
C=CCOCC(NC(=O)NC[C@@H]1CCC[N@H+]1CCC)C(=O)[O-]	REAL300012613345	0	49	0.0	-66.15	381.70	5.70	-60.45
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CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012613346	0	52	0.0	-68.39	379.71	5.65	-62.74
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012613346	1	52	0.0	-70.69	384.76	5.39	-65.30
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012613347	0	48	0.0	-60.80	385.57	8.33	-52.47
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012613347	1	48	0.0	-67.02	383.35	7.50	-59.52
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012613348	0	48	0.0	-60.68	395.46	8.77	-51.91
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012613348	1	48	0.0	-66.76	393.24	7.95	-58.81
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012613349	0	52	0.0	-78.57	381.64	7.99	-70.58
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012613349	1	52	0.0	-76.58	376.41	7.20	-69.38
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012613350	0	52	0.0	-66.16	381.65	5.93	-60.23
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012613350	1	52	0.0	-68.59	379.55	5.13	-63.46
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012613351	0	51	0.0	-77.72	359.27	9.39	-68.33
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012613351	1	51	0.0	-77.99	358.76	8.88	-69.11
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012613352	0	51	0.0	-65.42	399.56	8.89	-56.53
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012613352	1	51	0.0	-66.74	397.68	8.10	-58.64
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012613353	0	53	0.0	-66.71	410.17	8.03	-58.68
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012613353	1	53	0.0	-69.51	406.59	7.33	-62.18
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012613354	0	54	0.0	-67.76	417.11	9.51	-58.25
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012613354	1	54	0.0	-71.17	413.46	8.70	-62.47
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012613355	0	54	0.0	-68.99	411.23	9.40	-59.59
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012613355	1	54	0.0	-70.20	409.11	8.69	-61.51
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012613356	0	52	0.0	-63.11	418.15	8.14	-54.97
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012613356	1	52	0.0	-69.67	415.56	7.26	-62.41
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012613357	0	54	0.0	-66.48	405.70	9.32	-57.16
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012613357	1	54	0.0	-70.45	401.42	8.42	-62.03
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012613358	0	52	0.0	-63.35	408.34	7.66	-55.69
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012613358	1	52	0.0	-70.91	406.36	6.74	-64.17
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012613359	0	51	0.0	-47.95	365.98	9.54	-38.41
CCC[N@H+]1CCC[C@H]1CNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012613359	1	51	0.0	-58.70	358.80	8.06	-50.64
CCCN(C(=O)NC[C@@H]1CCC[N@@H+]1CCC)C(COC)C(=O)[O-]	REAL300012613360	0	54	0.0	-71.00	396.77	8.81	-62.19
CCCN(C(=O)NC[C@@H]1CCC[N@H+]1CCC)C(COC)C(=O)[O-]	REAL300012613360	1	54	0.0	-69.14	396.73	9.32	-59.82
CCCN(C(=O)NC[C@@H]1CCC[N@@H+]1CCC)C(CC)C(=O)[O-]	REAL300012613361	0	53	0.0	-46.31	379.33	9.70	-36.61
CCCN(C(=O)NC[C@@H]1CCC[N@H+]1CCC)C(CC)C(=O)[O-]	REAL300012613361	1	53	0.0	-48.85	372.16	9.04	-39.81
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012613362	0	48	0.0	-65.59	393.25	8.27	-57.32
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012613362	1	48	0.0	-66.98	387.41	7.90	-59.08
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012613363	0	46	0.0	-74.89	350.44	8.75	-66.14
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012613363	1	46	0.0	-50.69	349.94	6.92	-43.77
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012613364	0	51	0.0	-68.96	366.19	8.35	-60.61
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012613364	1	51	0.0	-70.98	364.10	7.53	-63.45
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012613365	0	54	0.0	-71.51	376.15	8.53	-62.98
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012613365	1	54	0.0	-71.40	370.02	7.88	-63.52
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012613366	0	51	0.0	-66.04	393.41	8.94	-57.10
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012613366	1	51	0.0	-70.29	393.16	8.35	-61.94
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012613367	0	51	0.0	-52.67	391.33	10.62	-42.05
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012613367	1	51	0.0	-54.15	388.23	9.88	-44.27
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012613368	0	48	0.0	-68.87	376.62	7.88	-60.99
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012613368	1	48	0.0	-68.82	370.44	7.47	-61.35
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012613369	0	48	0.0	-66.07	371.39	7.94	-58.13
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012613369	1	48	0.0	-69.29	370.69	7.39	-61.90
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012613370	0	51	0.0	-66.04	393.41	8.94	-57.10
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012613370	1	51	0.0	-70.29	393.16	8.35	-61.94
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012613371	0	52	0.0	-78.22	385.80	11.18	-67.04
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012613371	1	52	0.0	-74.11	384.13	10.19	-63.92
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012613372	0	45	0.0	-65.76	363.87	7.31	-58.45
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012613372	1	45	0.0	-67.05	362.12	6.54	-60.51
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012613373	0	51	0.0	-68.96	366.19	8.35	-60.61
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012613373	1	51	0.0	-70.98	364.10	7.53	-63.45
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012613374	0	51	0.0	-53.14	414.64	10.98	-42.16
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012613374	1	51	0.0	-54.17	408.46	10.67	-43.50
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012613375	0	55	0.0	-62.26	424.82	9.56	-52.70
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012613375	1	55	0.0	-71.13	421.98	8.34	-62.79
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012613376	0	59	0.0	-53.95	454.02	9.54	-44.41
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012613376	1	59	0.0	-60.00	444.63	8.46	-51.54
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012613377	0	48	0.0	-65.42	397.82	8.37	-57.05
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012613377	1	48	0.0	-66.90	391.98	8.00	-58.90
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012613378	0	51	0.0	-53.42	404.32	10.53	-42.89
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012613378	1	51	0.0	-54.41	398.14	10.22	-44.19
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012613379	0	52	0.0	-69.79	393.73	9.45	-60.34
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012613379	1	52	0.0	-71.52	390.40	8.66	-62.86
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012613380	0	48	0.0	-68.81	387.20	7.88	-60.93
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012613380	1	48	0.0	-68.72	381.42	7.59	-61.13
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012613381	0	51	0.0	-66.59	379.11	8.68	-57.91
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012613381	1	51	0.0	-70.51	378.46	8.17	-62.34
CCCCCCC(C)(NC(=O)NC[C@@H]1CCC[N@@H+]1CCC)C(=O)[O-]	REAL300012613382	0	59	0.0	-69.02	424.86	8.80	-60.22
CCCCCCC(C)(NC(=O)NC[C@@H]1CCC[N@H+]1CCC)C(=O)[O-]	REAL300012613382	1	59	0.0	-68.17	430.82	9.19	-58.98
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012613383	0	54	0.0	-69.27	409.41	10.67	-58.60
CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012613383	1	54	0.0	-67.77	402.05	10.35	-57.42
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012613384	0	48	0.0	-65.59	393.25	8.27	-57.32
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012613384	1	48	0.0	-66.98	387.41	7.90	-59.08
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012613385	0	54	0.0	-70.63	374.04	9.31	-61.32
CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012613385	1	54	0.0	-72.75	373.10	8.83	-63.92
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012613386	0	54	0.0	-54.09	413.74	11.40	-42.69
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012613386	1	54	0.0	-56.69	408.85	10.70	-45.99
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012613387	0	51	0.0	-66.91	384.11	9.48	-57.43
CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012613387	1	51	0.0	-73.15	380.41	9.06	-64.09
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCOC)CC(=O)[O-]	REAL300012613388	0	48	0.0	-56.17	370.00	6.71	-49.46
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCOC)CC(=O)[O-]	REAL300012613388	1	48	0.0	-56.68	358.46	6.46	-50.22
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012613389	0	52	0.0	-69.96	386.08	9.02	-60.94
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012613389	1	52	0.0	-73.78	385.36	8.45	-65.33
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012613390	0	55	0.0	-73.49	427.54	8.82	-64.67
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012613390	1	55	0.0	-75.65	426.59	8.33	-67.32
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012613391	0	51	0.0	-73.04	357.30	9.25	-63.79
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012613391	1	51	0.0	-76.63	357.59	8.88	-67.75
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012613392	0	54	0.0	-54.09	413.74	11.40	-42.69
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012613392	1	54	0.0	-56.69	408.85	10.70	-45.99
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012613393	0	51	0.0	-54.50	375.26	9.03	-45.47
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012613393	1	51	0.0	-55.63	369.06	8.70	-46.93
CCCCCC(NC(=O)NC[C@@H]1CCC[N@@H+]1CCC)C(=O)[O-]	REAL300012613394	0	53	0.0	-67.91	399.00	7.65	-60.26
CCCCCC(NC(=O)NC[C@@H]1CCC[N@H+]1CCC)C(=O)[O-]	REAL300012613394	1	53	0.0	-64.16	399.47	8.25	-55.91
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300012613395	0	57	0.0	-70.76	409.57	9.11	-61.65
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300012613395	1	57	0.0	-66.75	396.79	8.05	-58.70
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012613396	0	52	0.0	-53.00	383.38	7.44	-45.56
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012613396	1	52	0.0	-56.04	377.45	7.04	-49.00
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012613397	0	51	0.0	-75.36	362.29	8.98	-66.38
CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012613397	1	51	0.0	-75.30	359.93	8.15	-67.15
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C(CC)C(=O)[O-])C1CC1	REAL300012613398	0	51	0.0	-49.68	365.12	9.66	-40.02
CCC[N@H+]1CCC[C@H]1CNC(=O)N(C(CC)C(=O)[O-])C1CC1	REAL300012613398	1	51	0.0	-55.93	371.08	8.76	-47.17
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012613399	0	48	0.0	-70.23	389.87	8.15	-62.08
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012613399	1	48	0.0	-69.85	382.33	7.89	-61.96
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012613400	0	48	0.0	-73.27	381.29	7.87	-65.40
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012613400	1	48	0.0	-74.25	375.19	7.48	-66.77
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012613401	0	52	0.0	-55.33	389.60	10.53	-44.80
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012613401	1	52	0.0	-58.67	386.17	9.69	-48.98
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012613402	0	51	0.0	-65.28	409.74	8.69	-56.59
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012613402	1	51	0.0	-73.23	408.59	8.66	-64.57
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012613403	0	57	0.0	-73.14	442.85	10.78	-62.36
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012613403	1	57	0.0	-72.93	436.71	10.38	-62.55
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012613404	0	57	0.0	-65.53	415.54	9.05	-56.48
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012613404	1	57	0.0	-69.40	414.01	8.53	-60.87
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012613405	0	54	0.0	-54.85	405.40	11.18	-43.67
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012613405	1	54	0.0	-58.41	403.33	11.02	-47.39
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012613406	0	51	0.0	-69.49	397.96	8.55	-60.94
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012613406	1	51	0.0	-70.42	392.09	8.05	-62.37
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012613407	0	44	0.0	-62.18	351.15	6.56	-55.62
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012613407	1	44	0.0	-62.92	349.61	6.03	-56.89
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012613408	0	54	0.0	-68.57	420.25	10.47	-58.10
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012613408	1	54	0.0	-70.89	416.66	9.75	-61.14
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012613409	0	49	0.0	-67.65	367.89	7.63	-60.02
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012613409	1	49	0.0	-67.38	361.74	7.19	-60.19
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012613410	0	48	0.0	-72.20	363.08	5.37	-66.83
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012613410	1	48	0.0	-73.07	357.12	4.99	-68.08
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C(COCC)C(=O)[O-]	REAL300012613411	0	51	0.0	-66.53	382.75	7.10	-59.43
CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C(COCC)C(=O)[O-]	REAL300012613411	1	51	0.0	-67.48	376.87	6.68	-60.80
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C(CC)C1=CC=CC=C1	REAL300012613412	0	57	0.0	-53.59	425.22	11.37	-42.22
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C(CC)C1=CC=CC=C1	REAL300012613412	1	57	0.0	-56.39	416.89	11.38	-45.01
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012613413	0	47	0.0	-53.80	371.95	8.75	-45.05
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012613413	1	47	0.0	-56.71	372.30	8.27	-48.44
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012613414	0	54	0.0	-68.87	394.06	7.93	-60.94
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012613414	1	54	0.0	-69.79	387.79	7.62	-62.17
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012613415	0	55	0.0	-66.69	409.85	8.49	-58.20
CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012613415	1	55	0.0	-68.25	404.57	8.18	-60.07
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012613416	0	55	0.0	-33.05	410.02	11.79	-21.26
CCC[N@H+]1CCC[C@H]1CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012613416	1	55	0.0	-45.58	407.46	11.16	-34.42
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012613417	0	49	0.0	-70.74	361.63	5.43	-65.31
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012613417	1	49	0.0	-72.16	355.66	5.06	-67.10
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012613418	0	54	0.0	-69.60	408.49	11.33	-58.27
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012613418	1	54	0.0	-48.33	402.40	11.19	-37.14
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012613419	0	52	0.0	-68.77	406.01	7.05	-61.72
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012613419	1	52	0.0	-70.42	400.39	6.70	-63.72
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012613420	0	51	0.0	-74.11	374.27	6.41	-67.70
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012613420	1	51	0.0	-72.72	373.34	5.89	-66.83
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012613421	0	54	0.0	-66.66	403.30	7.76	-58.90
CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012613421	1	54	0.0	-67.52	397.20	7.45	-60.07
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012613422	0	51	0.0	-72.25	384.15	4.35	-67.90
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012613422	1	51	0.0	-73.40	380.83	3.57	-69.83
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012613423	0	48	0.0	-68.45	373.50	4.80	-63.65
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012613423	1	48	0.0	-69.68	368.18	4.38	-65.30
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012613424	0	53	0.0	-65.83	390.14	9.25	-56.58
CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012613424	1	53	0.0	-67.14	380.34	8.30	-58.84
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012613425	0	44	0.0	-68.32	347.56	6.15	-62.17
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012613425	1	44	0.0	-64.14	344.30	5.85	-58.29
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC1(CCC)C(=O)[O-]	REAL300012613426	0	54	0.0	-74.15	388.61	10.28	-63.87
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC1(CCC)C(=O)[O-]	REAL300012613426	1	54	0.0	-76.20	388.12	9.80	-66.40
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012613427	0	54	0.0	-50.34	404.41	10.49	-39.85
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012613427	1	54	0.0	-49.45	402.98	11.06	-38.39
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012613428	0	54	0.0	-67.21	418.58	9.89	-57.32
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012613428	1	54	0.0	-68.10	412.15	9.55	-58.55
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300012613429	0	54	0.0	-70.58	401.56	9.44	-61.14
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300012613429	1	54	0.0	-69.87	395.44	9.06	-60.81
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012613430	0	58	0.0	-67.71	424.69	7.13	-60.58
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012613430	1	58	0.0	-75.03	421.32	6.51	-68.52
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012613431	0	55	0.0	-69.57	411.72	6.95	-62.62
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012613431	1	55	0.0	-69.75	405.43	6.53	-63.22
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012613432	0	52	0.0	-53.00	383.38	7.44	-45.56
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012613432	1	52	0.0	-56.04	377.45	7.04	-49.00
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012613433	0	54	0.0	-54.82	392.65	9.74	-45.08
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012613433	1	54	0.0	-56.21	386.19	9.39	-46.82
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012613434	0	54	0.0	-72.09	383.96	8.32	-63.77
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012613434	1	54	0.0	-72.81	378.05	7.92	-64.89
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012613435	0	52	0.0	-69.70	403.78	7.48	-62.22
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012613435	1	52	0.0	-72.08	400.45	6.70	-65.38
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012613436	0	48	0.0	-69.38	393.12	8.21	-61.17
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012613436	1	48	0.0	-69.09	385.70	7.96	-61.13
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012613437	0	47	0.0	-61.47	345.95	6.36	-55.11
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012613437	1	47	0.0	-64.91	345.46	5.84	-59.07
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012613438	0	49	0.0	-50.91	371.78	8.80	-42.11
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012613438	1	49	0.0	-75.73	367.30	7.88	-67.85
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012613439	0	45	0.0	-66.38	349.20	7.88	-58.50
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012613439	1	45	0.0	-68.00	347.00	7.07	-60.93
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012613440	0	52	0.0	-70.78	402.34	7.48	-63.30
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012613440	1	52	0.0	-72.11	399.57	6.70	-65.41
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012613441	0	54	0.0	-56.46	400.81	8.75	-47.71
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012613441	1	54	0.0	-74.69	400.50	8.25	-66.44
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012613442	0	55	0.0	-70.08	423.16	8.18	-61.90
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012613442	1	55	0.0	-72.81	422.45	7.63	-65.18
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012613443	0	57	0.0	-74.77	395.52	9.20	-65.57
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012613443	1	57	0.0	-72.06	391.92	8.40	-63.66
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012613444	0	54	0.0	-67.32	418.92	9.44	-57.88
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012613444	1	54	0.0	-67.25	413.02	9.06	-58.19
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012613445	0	53	0.0	-72.36	408.87	9.65	-62.71
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012613445	1	53	0.0	-66.38	406.82	8.87	-57.51
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012613446	0	52	0.0	-72.11	386.70	7.62	-64.49
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012613446	1	52	0.0	-74.09	382.35	6.78	-67.31
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012613447	0	55	0.0	-68.10	412.38	6.49	-61.61
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012613447	1	55	0.0	-67.39	405.70	6.21	-61.18
C=C(Cl)CC(NC(=O)NC[C@@H]1CCC[N@H+]1CCC)C(=O)[O-]	REAL300012613448	0	45	0.0	-60.76	363.69	6.99	-53.77
C=C(Cl)CC(NC(=O)NC[C@@H]1CCC[N@@H+]1CCC)C(=O)[O-]	REAL300012613448	1	45	0.0	-64.90	363.20	6.45	-58.45
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012613449	0	49	0.0	-79.14	359.20	9.11	-70.03
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012613449	1	49	0.0	-81.90	355.48	8.65	-73.25
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012613450	0	54	0.0	-67.92	408.62	9.00	-58.92
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012613450	1	54	0.0	-67.90	402.69	8.61	-59.29
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012613451	0	45	0.0	-68.55	349.16	7.91	-60.64
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012613451	1	45	0.0	-68.72	346.28	7.39	-61.33
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012613452	0	45	0.0	-72.78	341.90	8.14	-64.64
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012613452	1	45	0.0	-72.96	339.81	7.33	-65.63
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012613453	0	55	0.0	-70.46	406.66	6.68	-63.78
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012613453	1	55	0.0	-67.83	401.52	6.85	-60.98
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012613454	0	52	0.0	-68.39	379.71	5.65	-62.74
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012613454	1	52	0.0	-70.69	384.76	5.39	-65.30
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012613455	0	48	0.0	-66.07	371.39	7.94	-58.13
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012613455	1	48	0.0	-69.29	370.69	7.39	-61.90
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012613456	0	51	0.0	-66.36	412.78	9.27	-57.09
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012613456	1	51	0.0	-68.89	409.97	8.42	-60.47
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012613457	0	47	0.0	-68.29	385.58	5.93	-62.36
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012613457	1	47	0.0	-69.39	379.90	5.49	-63.90
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012613458	0	56	0.0	-64.13	417.04	8.76	-55.37
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012613458	1	56	0.0	-67.43	416.33	8.22	-59.21
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012613459	0	54	0.0	-72.55	428.56	9.19	-63.36
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012613459	1	54	0.0	-72.36	421.58	8.80	-63.56
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012613460	0	52	0.0	-68.26	395.25	6.56	-61.70
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012613460	1	52	0.0	-67.50	388.64	6.22	-61.28
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CSC)C(=O)[O-]	REAL300012613461	0	45	0.0	-64.17	358.01	6.30	-57.87
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CSC)C(=O)[O-]	REAL300012613461	1	45	0.0	-66.30	357.96	5.81	-60.49
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012613462	0	51	0.0	-65.00	400.06	8.95	-56.05
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012613462	1	51	0.0	-67.78	399.33	8.48	-59.30
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300012613463	0	53	0.0	-69.37	397.18	7.67	-61.70
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300012613463	1	53	0.0	-69.54	386.94	8.00	-61.54
C=CCCCC(NC(=O)NC[C@@H]1CCC[N@H+]1CCC)C(=O)[O-]	REAL300012613464	0	51	0.0	-67.75	396.23	7.89	-59.86
C=CCCCC(NC(=O)NC[C@@H]1CCC[N@@H+]1CCC)C(=O)[O-]	REAL300012613464	1	51	0.0	-68.00	390.32	7.43	-60.57
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012613465	0	51	0.0	-67.61	399.15	8.95	-58.66
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012613465	1	51	0.0	-68.08	398.46	8.41	-59.67
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012613466	0	54	0.0	-72.58	417.98	9.85	-62.73
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012613466	1	54	0.0	-73.43	411.86	9.51	-63.92
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012613467	0	46	0.0	-74.89	350.44	8.75	-66.14
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012613467	1	46	0.0	-50.69	349.94	6.92	-43.77
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012613468	0	51	0.0	-66.59	379.11	8.68	-57.91
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012613468	1	51	0.0	-70.51	378.46	8.17	-62.34
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012613469	0	49	0.0	-80.72	357.91	9.55	-71.17
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012613469	1	49	0.0	-80.05	355.41	8.73	-71.32
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012613470	0	44	0.0	-64.17	353.44	8.21	-55.96
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012613470	1	44	0.0	-65.31	346.79	7.64	-57.67
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012613471	0	44	0.0	-64.17	353.44	8.21	-55.96
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012613471	1	44	0.0	-65.31	346.79	7.64	-57.67
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012613472	0	57	0.0	-56.20	427.27	5.93	-50.27
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012613472	1	57	0.0	-57.41	420.86	5.60	-51.81
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012613473	1	61	0.0	-47.04	447.01	6.12	-40.92
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012613473	1	61	0.0	-56.32	442.00	5.07	-51.25
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012613474	0	52	0.0	-71.23	381.50	10.71	-60.52
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012613474	1	52	0.0	-55.24	388.45	10.03	-45.21
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012613475	0	55	0.0	-57.57	399.42	11.16	-46.41
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012613475	1	55	0.0	-59.94	397.87	10.49	-49.45
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012613476	0	53	0.0	-63.23	393.76	9.34	-53.89
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012613476	1	53	0.0	-69.88	390.53	8.53	-61.35
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012613477	0	48	0.0	-68.87	376.62	7.88	-60.99
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012613477	1	48	0.0	-68.82	370.44	7.47	-61.35
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012613478	0	51	0.0	-65.57	415.29	8.88	-56.69
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012613478	1	51	0.0	-66.39	409.42	8.38	-58.01
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012613479	0	53	0.0	-70.30	416.94	7.75	-62.55
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012613479	1	53	0.0	-71.52	410.80	7.34	-64.18
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012613480	0	47	0.0	-67.52	379.97	5.94	-61.58
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012613480	1	47	0.0	-71.09	379.50	5.34	-65.75
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012613481	0	48	0.0	-65.10	399.68	7.69	-57.41
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012613481	1	48	0.0	-65.60	398.37	7.16	-58.44
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012613482	0	48	0.0	-83.92	369.74	5.13	-78.79
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012613482	1	48	0.0	-83.37	363.67	4.73	-78.64
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012613483	0	49	0.0	-69.23	365.21	7.37	-61.86
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012613483	1	49	0.0	-68.53	360.72	6.44	-62.09
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012613484	0	48	0.0	-69.85	376.83	7.80	-62.05
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012613484	1	48	0.0	-70.42	370.64	7.39	-63.03
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012613485	0	51	0.0	-70.69	386.24	7.14	-63.55
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012613485	1	51	0.0	-69.50	384.54	6.76	-62.74
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012613486	0	51	0.0	-54.50	375.26	9.03	-45.47
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012613486	1	51	0.0	-55.63	369.06	8.70	-46.93
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012613487	0	49	0.0	-70.50	370.08	4.13	-66.37
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012613487	1	49	0.0	-76.68	366.19	3.21	-73.47
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012613488	0	57	0.0	-68.71	413.90	7.02	-61.69
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012613488	1	57	0.0	-71.82	417.62	6.62	-65.20
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012613489	0	51	0.0	-71.99	372.78	7.81	-64.18
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012613489	1	51	0.0	-71.69	369.98	7.05	-64.64
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012613490	0	54	0.0	-70.96	386.49	8.14	-62.82
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012613490	1	54	0.0	-72.65	380.17	7.76	-64.89
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012613491	0	48	0.0	-68.45	373.50	4.80	-63.65
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012613491	1	48	0.0	-69.68	368.18	4.38	-65.30
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012613492	0	54	0.0	-69.27	409.41	10.67	-58.60
CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012613492	1	54	0.0	-67.77	402.05	10.35	-57.42
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012613493	0	51	0.0	-72.14	375.32	8.54	-63.60
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012613493	1	51	0.0	-72.54	372.08	7.74	-64.80
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012613494	0	58	0.0	-72.68	425.88	10.13	-62.55
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012613494	1	58	0.0	-71.85	419.36	9.76	-62.09
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012613495	0	57	0.0	-66.48	419.39	7.06	-59.42
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012613495	1	57	0.0	-69.10	418.56	6.60	-62.50
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012613496	0	56	0.0	-56.38	416.46	11.65	-44.73
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012613496	1	56	0.0	-59.77	412.85	10.93	-48.84
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012613497	0	49	0.0	-65.96	371.67	5.35	-60.61
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012613497	1	49	0.0	-68.12	368.62	4.40	-63.72
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012613498	0	49	0.0	-79.37	357.39	9.17	-70.20
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012613498	1	49	0.0	-78.75	355.28	8.35	-70.40
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012613499	0	52	0.0	-76.84	409.28	7.79	-69.05
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012613499	1	52	0.0	-76.74	402.63	7.55	-69.19
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012613500	0	47	0.0	-76.24	350.84	6.94	-69.30
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012613500	1	47	0.0	-74.60	346.79	6.10	-68.50
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012613501	0	51	0.0	-78.13	361.34	9.89	-68.24
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012613501	1	51	0.0	-77.17	365.42	9.09	-68.08
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012613502	0	54	0.0	-67.53	408.56	9.22	-58.31
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012613502	1	54	0.0	-68.95	408.36	8.57	-60.38
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012613503	0	55	0.0	-68.50	413.39	8.87	-59.63
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012613503	1	55	0.0	-68.07	402.69	9.12	-58.95
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012613504	0	61	0.0	-71.62	430.05	8.97	-62.65
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012613504	1	61	0.0	-69.90	427.98	8.08	-61.82
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012613505	0	54	0.0	-68.87	394.06	7.93	-60.94
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012613505	1	54	0.0	-69.79	387.79	7.62	-62.17
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012613506	0	55	0.0	-71.33	414.37	6.84	-64.49
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012613506	1	55	0.0	-71.78	408.78	6.57	-65.21
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012613507	0	55	0.0	-47.07	386.62	9.43	-37.64
CCC[N@H+]1CCC[C@H]1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012613507	1	55	0.0	-47.61	380.47	9.08	-38.53
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012613508	0	55	0.0	-73.96	388.12	7.15	-66.81
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012613508	1	55	0.0	-73.02	384.50	6.31	-66.71
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012613509	0	54	0.0	-69.88	436.97	10.07	-59.81
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012613509	1	54	0.0	-70.19	431.13	9.60	-60.59
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012613510	0	55	0.0	-55.81	405.70	11.15	-44.66
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012613510	1	55	0.0	-58.92	403.06	10.22	-48.70
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012613511	0	49	0.0	-39.20	359.05	9.01	-30.19
CCC[N@H+]1CCC[C@H]1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012613511	1	49	0.0	-49.33	356.08	8.31	-41.02
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012613512	0	55	0.0	-68.50	413.39	8.87	-59.63
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012613512	1	55	0.0	-68.07	402.69	9.12	-58.95
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012613513	0	51	0.0	-68.70	400.06	8.95	-59.75
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012613513	1	51	0.0	-67.28	399.52	8.41	-58.87
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012613514	0	49	0.0	-66.32	369.24	5.71	-60.61
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012613514	1	49	0.0	-74.35	369.10	4.99	-69.36
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012613515	0	45	0.0	-70.09	350.30	6.43	-63.66
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012613515	1	45	0.0	-70.41	344.34	6.05	-64.36
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012613516	0	49	0.0	-67.22	370.69	5.70	-61.52
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012613516	1	49	0.0	-68.64	367.33	4.92	-63.72
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012613517	0	48	0.0	-61.07	373.54	7.28	-53.79
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012613517	1	48	0.0	-68.28	376.72	6.86	-61.42
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC1(CC)C(=O)[O-]	REAL300012613518	0	51	0.0	-76.56	369.70	9.75	-66.81
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC1(CC)C(=O)[O-]	REAL300012613518	1	51	0.0	-76.03	366.61	9.04	-66.99
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012613519	0	44	0.0	-62.18	351.15	6.56	-55.62
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012613519	1	44	0.0	-62.92	349.61	6.03	-56.89
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012613520	0	52	0.0	-67.75	395.00	5.71	-62.04
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012613520	1	52	0.0	-69.97	388.31	5.41	-64.56
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012613521	0	48	0.0	-66.88	391.00	7.79	-59.09
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012613521	1	48	0.0	-69.92	384.20	7.42	-62.50
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012613522	0	55	0.0	-65.39	412.36	7.93	-57.46
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012613522	1	55	0.0	-68.93	411.89	7.41	-61.52
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012613523	0	49	0.0	-75.07	362.98	8.32	-66.75
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012613523	1	49	0.0	-75.97	356.80	8.01	-67.96
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012613524	0	54	0.0	-50.34	404.41	10.49	-39.85
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012613524	1	54	0.0	-49.45	402.98	11.06	-38.39
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012613525	0	55	0.0	-72.33	432.01	8.46	-63.87
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012613525	1	55	0.0	-72.85	431.30	7.92	-64.93
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012613526	0	57	0.0	-65.53	415.54	9.05	-56.48
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012613526	1	57	0.0	-69.40	414.01	8.53	-60.87
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012613527	0	54	0.0	-69.17	421.25	9.52	-59.65
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012613527	1	54	0.0	-69.95	415.31	9.13	-60.82
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012613528	0	54	0.0	-65.53	416.37	9.71	-55.82
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012613528	1	54	0.0	-68.62	415.67	9.16	-59.46
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012613529	0	55	0.0	-66.67	398.56	8.83	-57.84
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012613529	1	55	0.0	-70.96	396.05	8.10	-62.86
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012613530	0	57	0.0	-64.86	415.29	9.12	-55.74
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012613530	1	57	0.0	-68.86	414.81	8.63	-60.23
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012613531	0	57	0.0	-68.73	414.72	9.07	-59.66
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012613531	1	57	0.0	-70.20	415.07	8.53	-61.67
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012613532	0	55	0.0	-38.40	397.18	10.02	-28.38
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012613532	1	55	0.0	-49.87	395.48	9.18	-40.69
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012613533	0	55	0.0	-74.40	393.28	9.81	-64.59
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012613533	1	55	0.0	-77.18	392.40	8.92	-68.26
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012613534	0	55	0.0	-73.51	441.48	8.26	-65.25
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012613534	1	55	0.0	-74.41	435.04	7.92	-66.49
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012613535	0	55	0.0	-68.64	422.25	8.18	-60.46
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012613535	1	55	0.0	-72.02	422.60	7.65	-64.37
C=CCSCC(NC(=O)NC[C@@H]1CCC[N@H+]1CCC)C(=O)[O-]	REAL300012613536	0	49	0.0	-61.64	392.95	7.73	-53.91
C=CCSCC(NC(=O)NC[C@@H]1CCC[N@@H+]1CCC)C(=O)[O-]	REAL300012613536	1	49	0.0	-65.00	392.24	7.18	-57.82
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012613537	0	52	0.0	-69.19	413.59	9.28	-59.91
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012613537	1	52	0.0	-69.40	412.91	8.73	-60.67
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012613538	0	55	0.0	-63.60	428.74	9.67	-53.93
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012613538	1	55	0.0	-82.53	432.59	8.32	-74.21
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012613539	0	52	0.0	-67.48	383.63	5.62	-61.86
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012613539	1	52	0.0	-71.68	383.12	5.11	-66.57
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012613540	0	54	0.0	-68.75	396.09	7.95	-60.80
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012613540	1	54	0.0	-71.97	396.47	8.35	-63.62
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012613541	0	55	0.0	-71.88	404.17	10.27	-61.61
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012613541	1	55	0.0	-72.67	402.22	9.47	-63.20
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012613542	0	48	0.0	-73.08	369.67	7.69	-65.39
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012613542	1	48	0.0	-73.37	367.87	6.82	-66.55
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012613544	0	60	0.0	-69.11	453.32	10.05	-59.06
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012613544	1	60	0.0	-70.11	446.88	9.70	-60.41
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012613545	0	57	0.0	-69.11	437.35	9.66	-59.45
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012613545	1	57	0.0	-69.40	430.31	9.34	-60.06
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012613546	0	45	0.0	-72.78	341.90	8.14	-64.64
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012613546	1	45	0.0	-72.96	339.81	7.33	-65.63
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012613547	0	47	0.0	-39.43	350.93	8.87	-30.56
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012613547	1	47	0.0	-49.97	348.82	8.09	-41.88
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012613548	0	51	0.0	-74.70	371.05	8.80	-65.90
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012613548	1	51	0.0	-76.00	369.68	7.89	-68.11
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(OCC)C=C1	REAL300012613549	0	55	0.0	-69.54	428.15	8.02	-61.52
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(OCC)C=C1	REAL300012613549	1	55	0.0	-70.22	422.23	7.62	-62.60
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012613550	0	55	0.0	-60.97	387.12	10.67	-50.30
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012613550	1	55	0.0	-55.21	395.03	8.58	-46.63
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012613551	0	55	0.0	-69.19	412.53	10.65	-58.54
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012613551	1	55	0.0	-68.19	411.11	9.27	-58.92
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012613552	0	55	0.0	-73.60	419.29	8.84	-64.76
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012613552	1	55	0.0	-74.07	413.32	8.44	-65.63
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012613553	0	51	0.0	-72.46	413.37	8.66	-63.80
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012613553	1	51	0.0	-73.29	406.93	8.31	-64.98
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012613554	0	53	0.0	-68.42	400.98	7.85	-60.57
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012613554	1	53	0.0	-68.81	394.24	7.39	-61.42
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012613555	0	52	0.0	-49.99	387.18	9.16	-40.83
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012613555	1	52	0.0	-53.07	381.06	8.66	-44.41
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012613556	0	52	0.0	-67.75	395.00	5.71	-62.04
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012613556	1	52	0.0	-69.97	388.31	5.41	-64.56
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012613557	0	49	0.0	-72.79	383.72	8.61	-64.18
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012613557	1	49	0.0	-73.51	376.55	8.41	-65.10
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012613558	0	52	0.0	-70.30	379.03	8.23	-62.07
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012613558	1	52	0.0	-74.55	369.93	8.17	-66.38
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012613559	0	49	0.0	-71.08	364.72	7.41	-63.67
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012613559	1	49	0.0	-74.25	357.08	7.26	-66.99
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012613560	0	52	0.0	-70.94	384.15	8.06	-62.88
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012613560	1	52	0.0	-70.69	378.26	7.65	-63.04
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012613561	0	54	0.0	-68.41	409.61	10.79	-57.62
CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012613561	1	54	0.0	-67.67	401.54	10.25	-57.42
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012613562	0	58	0.0	-39.34	412.78	10.50	-28.84
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012613562	1	58	0.0	-52.93	410.11	9.61	-43.32
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012613563	0	51	0.0	-69.82	377.44	7.21	-62.61
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012613563	1	51	0.0	-69.09	373.85	6.95	-62.14
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012613564	0	48	0.0	-69.29	365.22	5.10	-64.19
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012613564	1	48	0.0	-70.44	364.60	4.64	-65.80
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012613565	0	51	0.0	-52.67	391.33	10.62	-42.05
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012613565	1	51	0.0	-54.15	388.23	9.88	-44.27
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012613566	0	58	0.0	-69.87	450.76	11.28	-58.59
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012613566	1	58	0.0	-70.95	445.07	10.82	-60.13
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012613567	0	51	0.0	-51.66	380.51	8.31	-43.35
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012613567	1	51	0.0	-50.16	373.69	8.01	-42.15
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012613568	0	52	0.0	-52.84	401.13	10.61	-42.23
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012613568	1	52	0.0	-56.75	397.58	9.81	-46.94
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012613569	0	48	0.0	-75.48	362.23	8.95	-66.53
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012613569	1	48	0.0	-75.70	356.04	8.63	-67.07
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012613570	0	45	0.0	-79.67	348.52	8.16	-71.51
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012613570	1	45	0.0	-78.33	346.09	7.06	-71.27
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012613571	0	51	0.0	-68.70	400.06	8.95	-59.75
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012613571	1	51	0.0	-67.28	399.52	8.41	-58.87
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012613572	0	48	0.0	-67.71	389.42	7.61	-60.10
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012613572	1	48	0.0	-69.11	382.96	7.26	-61.85
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012613573	0	48	0.0	-72.29	368.97	8.41	-63.88
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012613573	1	48	0.0	-73.70	362.96	7.99	-65.71
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012613574	0	52	0.0	-71.06	399.63	8.89	-62.17
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012613574	1	52	0.0	-72.70	397.85	8.09	-64.61
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012613575	0	56	0.0	-74.94	424.10	10.43	-64.51
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012613575	1	56	0.0	-73.94	420.97	9.66	-64.28
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012613576	0	48	0.0	-67.71	389.42	7.61	-60.10
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012613576	1	48	0.0	-69.11	382.96	7.26	-61.85
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012613577	0	52	0.0	-74.71	374.19	9.13	-65.58
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012613577	1	52	0.0	-76.68	372.49	8.62	-68.06
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012613578	0	51	0.0	-63.72	390.15	5.76	-57.96
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012613578	1	51	0.0	-67.52	389.66	5.23	-62.29
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(COCC)C(=O)[O-]	REAL300012613579	0	48	0.0	-69.74	368.93	5.08	-64.66
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(COCC)C(=O)[O-]	REAL300012613579	1	48	0.0	-69.48	368.08	4.58	-64.90
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012613580	0	53	0.0	-68.61	384.94	8.25	-60.36
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012613580	1	53	0.0	-68.59	385.30	7.71	-60.88
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012613581	0	52	0.0	-71.33	386.46	6.42	-64.91
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012613581	1	52	0.0	-70.03	383.24	5.47	-64.56
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012613582	0	48	0.0	-66.30	395.58	8.80	-57.50
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012613582	1	48	0.0	-68.49	392.25	8.03	-60.46
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012613583	0	52	0.0	-69.79	393.73	9.45	-60.34
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012613583	1	52	0.0	-71.52	390.40	8.66	-62.86
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012613584	0	49	0.0	-76.06	358.11	7.61	-68.45
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012613584	1	49	0.0	-74.58	355.54	6.55	-68.03
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012613585	0	51	0.0	-70.06	381.40	8.57	-61.49
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012613585	1	51	0.0	-71.09	376.28	8.21	-62.88
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012613586	0	62	0.0	-72.36	429.05	10.23	-62.13
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012613586	1	62	0.0	-72.47	425.53	9.42	-63.05
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012613587	0	54	0.0	-71.75	428.54	9.03	-62.72
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012613587	1	54	0.0	-72.18	418.86	8.62	-63.56
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CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012613589	0	59	0.0	-58.31	404.04	9.32	-48.99
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012613589	1	59	0.0	-55.53	413.71	7.45	-48.08
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012613590	0	50	0.0	-69.73	411.23	7.32	-62.41
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012613590	1	50	0.0	-70.54	404.79	6.98	-63.56
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@H](OCC)C[C@H]1C(=O)[O-]	REAL300012613591	0	52	0.0	-74.88	390.62	7.99	-66.89
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H](OCC)C[C@H]1C(=O)[O-]	REAL300012613591	1	52	0.0	-71.86	387.64	7.26	-64.60
COC1CCC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012613737	0	60	0.0	-64.90	443.66	6.95	-57.95
CC1CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCO1	REAL300012613953	0	54	0.0	-61.26	401.83	5.83	-55.43
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CC1CCC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012614711	0	56	0.0	-57.87	411.71	7.51	-50.36
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012614794	0	47	0.0	-78.95	366.04	4.95	-74.00
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012614794	1	47	0.0	-78.26	366.06	5.02	-73.24
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012614795	0	43	0.0	-70.72	369.78	7.38	-63.34
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012614795	1	43	0.0	-71.26	370.38	7.36	-63.90
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012614796	0	43	0.0	-71.27	380.27	7.79	-63.48
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012614796	1	43	0.0	-70.50	379.67	7.83	-62.67
C#CC[N@@H+](C)CCCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012614797	0	47	0.0	-84.97	361.73	7.18	-77.79
C#CC[N@H+](C)CCCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012614797	1	47	0.0	-85.03	361.72	7.18	-77.85
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012614798	0	47	0.0	-74.54	366.02	4.98	-69.56
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012614798	1	47	0.0	-74.71	366.00	4.98	-69.73
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012614799	0	46	0.0	-73.34	384.19	8.01	-65.33
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012614799	1	46	0.0	-73.20	384.19	8.02	-65.18
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012614800	0	48	0.0	-75.99	393.38	7.16	-68.83
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012614800	1	48	0.0	-76.38	393.62	7.08	-69.30
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012614801	0	49	0.0	-77.20	400.31	8.64	-68.56
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012614801	1	49	0.0	-77.24	400.26	8.64	-68.60
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012614802	0	49	0.0	-77.83	396.10	8.43	-69.40
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012614802	1	49	0.0	-77.71	396.10	8.44	-69.27
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012614803	0	47	0.0	-73.75	402.60	7.12	-66.63
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012614803	1	47	0.0	-74.55	403.20	7.08	-67.47
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012614804	0	49	0.0	-77.16	390.58	8.36	-68.80
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012614804	1	49	0.0	-76.13	386.75	8.25	-67.88
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012614805	0	47	0.0	-74.01	392.80	6.63	-67.38
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012614805	1	47	0.0	-74.80	393.40	6.60	-68.20
C#CC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012614806	0	49	0.0	-59.52	417.21	10.98	-48.54
C#CC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012614806	1	49	0.0	-59.53	417.15	10.98	-48.55
C#CC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300012614807	0	46	0.0	-60.70	399.76	10.60	-50.10
C#CC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300012614807	1	46	0.0	-60.53	399.76	10.60	-49.93
C#CC[N@@H+](C)CCCNC(=O)N(CCC)C(COC)C(=O)[O-]	REAL300012614808	0	49	0.0	-78.60	382.86	8.71	-69.89
C#CC[N@H+](C)CCCNC(=O)N(CCC)C(COC)C(=O)[O-]	REAL300012614808	1	49	0.0	-78.21	382.96	8.71	-69.50
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012614809	0	43	0.0	-72.78	373.81	7.78	-65.00
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012614809	1	43	0.0	-73.04	374.17	7.84	-65.20
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012614810	0	49	0.0	-79.31	356.72	8.05	-71.26
C#CC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012614810	1	49	0.0	-79.50	356.72	8.05	-71.45
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012614811	0	46	0.0	-77.00	379.98	8.18	-68.82
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012614811	1	46	0.0	-76.75	379.73	8.24	-68.51
C#CC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012614812	0	46	0.0	-61.93	378.48	9.97	-51.96
C#CC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012614812	1	46	0.0	-61.70	378.47	9.98	-51.72
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012614813	0	43	0.0	-76.45	357.48	7.31	-69.14
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012614813	1	43	0.0	-76.53	357.48	7.32	-69.21
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012614814	0	43	0.0	-76.26	357.08	7.26	-69.00
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012614814	1	43	0.0	-76.92	357.70	7.25	-69.67
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012614815	0	46	0.0	-77.00	379.98	8.18	-68.82
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012614815	1	46	0.0	-76.75	379.73	8.24	-68.51
C#CC[N@H+](C)CCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012614816	0	47	0.0	-84.59	369.25	10.22	-74.37
C#CC[N@@H+](C)CCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012614816	1	47	0.0	-85.50	369.85	10.38	-75.12
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012614817	0	40	0.0	-74.46	348.71	6.34	-68.12
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012614817	1	40	0.0	-75.00	349.34	6.33	-68.67
C#CC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012614818	0	46	0.0	-59.47	395.12	10.51	-48.96
C#CC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012614818	1	46	0.0	-59.67	395.12	10.51	-49.16
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012614819	0	50	0.0	-78.29	409.01	8.25	-70.04
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012614819	1	50	0.0	-77.21	408.19	8.28	-68.93
C#CC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012614820	0	54	0.0	-64.29	437.45	8.58	-55.71
C#CC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012614820	1	54	0.0	-64.54	437.47	8.58	-55.96
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012614821	0	43	0.0	-72.68	378.37	7.88	-64.80
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012614821	1	43	0.0	-72.86	378.74	7.95	-64.91
C#CC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012614822	0	46	0.0	-59.70	384.80	10.06	-49.64
C#CC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012614822	1	46	0.0	-59.90	384.80	10.06	-49.84
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012614823	0	47	0.0	-77.79	375.66	8.42	-69.37
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C#CC[N@@H+](C)CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012614827	0	49	0.0	-74.83	388.53	10.09	-64.74
C#CC[N@H+](C)CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012614827	1	49	0.0	-74.60	389.05	10.20	-64.40
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C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012614884	0	47	0.0	-78.95	366.04	4.95	-74.00
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012614884	1	47	0.0	-78.26	366.06	5.02	-73.24
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012614885	0	43	0.0	-76.26	357.08	7.26	-69.00
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012614885	1	43	0.0	-76.92	357.70	7.25	-69.67
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012614886	0	46	0.0	-75.49	396.18	8.30	-67.19
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012614886	1	46	0.0	-75.52	396.19	8.30	-67.22
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012614887	0	42	0.0	-73.54	365.68	5.35	-68.19
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012614887	1	42	0.0	-75.60	366.47	5.38	-70.22
C#CC[N@@H+](C)CCCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012614888	0	51	0.0	-75.24	403.61	8.00	-67.24
C#CC[N@H+](C)CCCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012614888	1	51	0.0	-74.66	402.77	8.01	-66.65
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012614889	0	49	0.0	-79.55	409.45	8.64	-70.91
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012614889	1	49	0.0	-74.75	409.60	8.65	-66.10
C#CC[N@H+](C)CCCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012614890	0	47	0.0	-79.18	377.50	5.61	-73.57
C#CC[N@@H+](C)CCCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012614890	1	47	0.0	-79.77	377.74	5.56	-74.21
C#CC[N@H+](C)CCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012614891	0	46	0.0	-74.42	386.14	8.31	-66.11
C#CC[N@@H+](C)CCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012614891	1	46	0.0	-75.03	386.33	8.24	-66.79
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012614892	0	46	0.0	-74.35	385.48	8.26	-66.09
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012614892	1	46	0.0	-74.83	386.32	8.25	-66.58
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012614893	0	49	0.0	-79.96	397.57	9.42	-70.54
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012614893	1	49	0.0	-80.83	398.43	9.40	-71.43
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012614894	0	47	0.0	-79.91	401.02	7.21	-72.70
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012614894	1	47	0.0	-80.57	401.48	7.15	-73.42
C#CC[N@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012614895	0	46	0.0	-77.04	365.50	8.02	-69.02
C#CC[N@@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012614895	1	46	0.0	-76.91	365.50	8.02	-68.89
C#CC[N@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012614896	0	46	0.0	-73.53	386.79	8.63	-64.90
C#CC[N@@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012614896	1	46	0.0	-73.45	386.79	8.64	-64.81
C#CC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012614897	0	39	0.0	-70.80	334.10	7.48	-63.32
C#CC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012614897	1	39	0.0	-70.82	334.09	7.48	-63.34
C#CC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012614898	0	39	0.0	-70.80	334.10	7.48	-63.32
C#CC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012614898	1	39	0.0	-70.82	334.09	7.48	-63.34
C#CC[N@H+](C)CCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012614899	0	52	0.0	-62.66	407.82	5.45	-57.21
C#CC[N@@H+](C)CCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012614899	1	52	0.0	-62.36	407.81	5.45	-56.91
C#CC[N@@H+](C)CCCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012614900	1	56	0.0	-62.02	427.80	5.10	-56.92
C#CC[N@H+](C)CCCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012614900	1	56	0.0	-61.75	427.80	5.09	-56.66
C#CC[N@H+](C)CCCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012614901	0	47	0.0	-58.86	376.10	10.01	-48.85
C#CC[N@@H+](C)CCCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012614901	1	47	0.0	-58.64	376.10	10.00	-48.64
C#CC[N@@H+](C)CCCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012614902	0	50	0.0	-65.09	384.69	10.31	-54.78
C#CC[N@H+](C)CCCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012614902	1	50	0.0	-67.13	384.16	10.22	-56.91
C#CC[N@H+](C)CCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012614903	0	48	0.0	-75.83	377.39	8.36	-67.47
C#CC[N@@H+](C)CCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012614903	1	48	0.0	-75.53	377.39	8.36	-67.17
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012614904	0	43	0.0	-76.45	357.48	7.31	-69.14
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012614904	1	43	0.0	-76.53	357.48	7.32	-69.21
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012614905	0	46	0.0	-72.38	396.21	8.31	-64.07
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012614905	1	46	0.0	-72.62	396.45	8.25	-64.37
C#CC[N@H+](C)CCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012614906	0	48	0.0	-76.79	397.59	7.24	-69.55
C#CC[N@@H+](C)CCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012614906	1	48	0.0	-77.39	397.84	7.20	-70.19
C#CC[N@H+](C)CCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012614907	0	42	0.0	-78.00	366.26	5.24	-72.76
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012614907	1	42	0.0	-78.58	366.50	5.18	-73.40
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300012614908	0	46	0.0	-79.00	398.66	8.67	-70.33
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300012614908	1	46	0.0	-74.17	396.76	8.33	-65.84
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012614909	0	43	0.0	-71.37	385.19	7.00	-64.37
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012614909	1	43	0.0	-71.84	386.01	6.98	-64.86
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012614910	0	40	0.0	-72.82	369.74	6.99	-65.83
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012614910	1	40	0.0	-73.21	369.99	6.93	-66.28
C#CC[N@H+](C)CCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012614911	0	43	0.0	-90.52	350.80	4.62	-85.90
C#CC[N@@H+](C)CCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012614911	1	43	0.0	-91.14	350.80	4.64	-86.50
C#CC[N@@H+](C)CCCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012614912	0	44	0.0	-76.26	348.57	6.33	-69.93
C#CC[N@H+](C)CCCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012614912	1	44	0.0	-76.26	348.57	6.33	-69.93
C#CC[N@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012614913	0	43	0.0	-76.93	357.68	7.23	-69.70
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012614913	1	43	0.0	-76.81	357.67	7.23	-69.58
C#CC[N@H+](C)CCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012614914	0	46	0.0	-78.21	367.16	6.56	-71.65
C#CC[N@@H+](C)CCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012614914	1	46	0.0	-78.22	367.16	6.57	-71.65
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012614915	0	52	0.0	-76.29	401.98	6.33	-69.96
C#CC[N@H+](C)CCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012614915	1	52	0.0	-76.52	401.99	6.33	-70.19
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012614916	0	49	0.0	-79.58	365.48	7.51	-72.07
C#CC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012614916	1	49	0.0	-79.14	367.08	7.64	-71.50
C#CC[N@@H+](C)CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012614917	0	49	0.0	-74.83	388.53	10.09	-64.74
C#CC[N@H+](C)CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012614917	1	49	0.0	-74.60	389.05	10.20	-64.40
C#CC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012614918	0	53	0.0	-81.65	406.68	9.61	-72.04
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012614918	1	53	0.0	-81.28	406.60	9.59	-71.69
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012614919	0	52	0.0	-77.52	406.09	6.41	-71.11
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012614919	1	52	0.0	-76.61	405.39	6.46	-70.15
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012614920	0	57	0.0	-80.47	458.95	9.58	-70.89
C#CC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012614920	1	57	0.0	-80.45	458.95	9.57	-70.88
C#CC[N@H+](C)CCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012614921	0	51	0.0	-65.69	399.89	10.80	-54.89
C#CC[N@@H+](C)CCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012614921	1	51	0.0	-65.48	399.89	10.80	-54.68
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012614922	0	47	0.0	-83.84	389.38	7.37	-76.47
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012614922	1	47	0.0	-84.80	389.63	7.32	-77.48
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012614923	0	49	0.0	-77.12	384.88	8.20	-68.92
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012614923	1	49	0.0	-75.25	395.15	8.58	-66.67
C#CC[N@H+](C)CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012614924	0	50	0.0	-74.83	389.54	9.04	-65.79
C#CC[N@@H+](C)CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012614924	1	50	0.0	-75.28	394.02	8.37	-66.91
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012614925	0	56	0.0	-77.70	414.80	7.92	-69.78
C#CC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012614925	1	56	0.0	-77.71	414.94	7.93	-69.78
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012614926	0	49	0.0	-77.49	375.28	7.37	-70.12
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012614926	1	49	0.0	-76.76	374.62	7.45	-69.31
C#CC[N@H+](C)CCCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012614927	0	50	0.0	-74.99	393.79	6.89	-68.10
C#CC[N@@H+](C)CCCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012614927	1	50	0.0	-74.60	393.54	6.97	-67.63
C#CC[N@H+](C)CCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012614928	0	50	0.0	-53.06	371.43	8.98	-44.08
C#CC[N@@H+](C)CCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012614928	1	50	0.0	-53.23	371.43	8.98	-44.25
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012614929	0	50	0.0	-78.90	371.57	6.19	-72.71
C#CC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012614929	1	50	0.0	-79.11	371.57	6.19	-72.92
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012614930	0	49	0.0	-77.12	417.92	9.50	-67.62
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012614930	1	49	0.0	-77.84	418.16	9.43	-68.41
C#CC[N@H+](C)CCCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012614931	0	50	0.0	-66.65	390.05	10.20	-56.45
C#CC[N@@H+](C)CCCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012614931	1	50	0.0	-66.36	390.05	10.21	-56.15
C#CC[N@H+](C)CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012614932	0	50	0.0	-74.83	389.54	9.04	-65.79
C#CC[N@@H+](C)CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012614932	1	50	0.0	-75.28	394.02	8.37	-66.91
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012614933	0	46	0.0	-78.44	386.39	8.25	-70.19
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012614933	1	46	0.0	-73.33	386.33	8.25	-65.08
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012614934	0	40	0.0	-77.81	331.10	5.90	-71.91
C#CC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012614934	1	40	0.0	-77.90	331.10	5.90	-72.00
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012614935	0	43	0.0	-78.09	361.66	6.91	-71.18
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012614935	1	43	0.0	-77.24	359.51	6.94	-70.30
C#CC[N@H+](C)CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012614936	0	39	0.0	-69.22	336.65	5.88	-63.34
C#CC[N@@H+](C)CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012614936	1	39	0.0	-69.05	336.65	5.88	-63.17
C#CC[N@H+](C)CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012614937	0	47	0.0	-72.86	370.74	4.91	-67.95
C#CC[N@@H+](C)CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012614937	1	47	0.0	-75.49	376.44	5.22	-70.27
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012614938	0	43	0.0	-76.02	371.02	7.25	-68.77
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012614938	1	43	0.0	-76.56	371.85	7.24	-69.32
C#CC[N@@H+](C)CCCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012614939	0	50	0.0	-76.03	398.46	7.21	-68.82
C#CC[N@H+](C)CCCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012614939	1	50	0.0	-76.13	398.69	7.23	-68.90
C#CC[N@@H+](C)CCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012614940	0	49	0.0	-55.33	390.02	11.03	-44.30
C#CC[N@H+](C)CCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012614940	1	49	0.0	-55.02	390.02	11.03	-43.99
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012614941	0	46	0.0	-74.20	400.97	8.86	-65.34
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012614941	1	46	0.0	-74.19	401.04	8.87	-65.32
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012614942	0	50	0.0	-76.94	419.23	7.76	-69.18
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012614942	1	50	0.0	-78.90	418.33	7.76	-71.14
C#CC[N@H+](C)CCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012614943	0	52	0.0	-75.53	401.63	8.43	-67.10
C#CC[N@@H+](C)CCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012614943	1	52	0.0	-75.74	401.63	8.43	-67.31
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012614944	0	49	0.0	-75.82	402.12	8.96	-66.86
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012614944	1	49	0.0	-75.71	402.12	8.97	-66.74
C#CC[N@H+](C)CCCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012614945	0	49	0.0	-75.93	402.71	9.02	-66.91
C#CC[N@@H+](C)CCCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012614945	1	49	0.0	-76.43	402.95	8.95	-67.48
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012614946	0	50	0.0	-76.38	381.99	7.84	-68.54
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012614946	1	50	0.0	-76.59	381.99	7.83	-68.76
C#CC[N@H+](C)CCCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012614947	0	52	0.0	-75.53	401.65	8.45	-67.08
C#CC[N@@H+](C)CCCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012614947	1	52	0.0	-76.15	401.90	8.38	-67.77
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012614948	0	52	0.0	-75.69	401.67	8.45	-67.24
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012614948	1	52	0.0	-75.99	401.93	8.36	-67.63
C#CC[N@H+](C)CCCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012614949	0	50	0.0	-57.47	382.17	9.05	-48.42
C#CC[N@@H+](C)CCCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012614949	1	50	0.0	-57.89	382.97	9.00	-48.89
C#CC[N@H+](C)CCCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012614950	0	50	0.0	-84.19	381.53	8.85	-75.34
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012614950	1	50	0.0	-83.71	377.78	8.85	-74.86
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012614951	0	50	0.0	-80.80	422.04	7.77	-73.03
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012614951	1	50	0.0	-80.25	421.45	7.80	-72.45
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012614952	0	50	0.0	-76.52	409.41	7.48	-69.04
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012614952	1	50	0.0	-76.61	409.41	7.48	-69.13
C#CC[N@H+](C)CCCNC(=O)NC(CSCC=C)C(=O)[O-]	REAL300012614953	0	44	0.0	-72.98	379.29	7.02	-65.96
C#CC[N@@H+](C)CCCNC(=O)NC(CSCC=C)C(=O)[O-]	REAL300012614953	1	44	0.0	-72.09	378.61	7.06	-65.03
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012614954	0	47	0.0	-76.23	400.73	8.57	-67.66
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012614954	1	47	0.0	-76.04	400.77	8.57	-67.47
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012614955	0	50	0.0	-90.03	419.62	8.17	-81.86
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012614955	1	50	0.0	-89.86	419.38	8.22	-81.64
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-]	REAL300012614956	0	54	0.0	-88.66	443.18	7.47	-81.19
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CNC2=CC=C(OC)C=C12)C(=O)[O-]	REAL300012614956	1	54	0.0	-88.46	443.18	7.46	-81.00
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012614957	0	47	0.0	-72.47	368.48	4.80	-67.67
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012614957	1	47	0.0	-72.64	368.49	4.79	-67.85
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012614958	0	49	0.0	-79.54	383.46	8.22	-71.32
C#CC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012614958	1	49	0.0	-79.68	383.47	8.21	-71.47
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012614959	0	50	0.0	-79.09	389.02	9.30	-69.79
C#CC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012614959	1	50	0.0	-79.29	389.02	9.30	-69.99
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012614960	0	43	0.0	-82.70	354.50	6.71	-75.99
C#CC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012614960	1	43	0.0	-82.44	354.50	6.70	-75.74
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012614962	0	55	0.0	-75.98	433.69	9.64	-66.34
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012614962	1	55	0.0	-76.03	433.69	9.65	-66.38
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012614963	0	52	0.0	-76.00	417.69	9.25	-66.75
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012614963	1	52	0.0	-76.02	417.69	9.25	-66.77
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC)C=C1	REAL300012614964	0	50	0.0	-76.05	408.81	7.53	-68.52
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC)C=C1	REAL300012614964	1	50	0.0	-76.00	408.81	7.53	-68.47
C#CC[N@H+](C)CCCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012614965	0	50	0.0	-84.43	376.96	9.93	-74.50
C#CC[N@@H+](C)CCCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012614965	1	50	0.0	-83.66	376.82	9.75	-73.91
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012614966	0	50	0.0	-75.67	398.16	9.11	-66.56
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012614966	1	50	0.0	-75.93	397.39	9.69	-66.24
C#CC[N@H+](C)CCCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012614967	0	50	0.0	-81.16	400.14	8.28	-72.88
C#CC[N@@H+](C)CCCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012614967	1	50	0.0	-81.16	400.14	8.29	-72.87
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012614968	0	46	0.0	-78.92	393.10	8.17	-70.75
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012614968	1	46	0.0	-78.72	393.10	8.18	-70.54
C#CC[N@H+](C)CCCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012614969	0	47	0.0	-57.65	367.18	8.56	-49.09
C#CC[N@@H+](C)CCCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012614969	1	47	0.0	-57.93	367.18	8.57	-49.36
C#CC[N@H+](C)CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012614970	0	47	0.0	-72.86	370.74	4.91	-67.95
C#CC[N@@H+](C)CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012614970	1	47	0.0	-75.49	376.44	5.22	-70.27
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012614971	0	46	0.0	-77.07	401.04	8.85	-68.22
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012614971	1	46	0.0	-72.56	400.38	8.82	-63.74
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012614972	0	44	0.0	-79.34	363.58	8.25	-71.09
C#CC[N@H+](C)CCCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012614972	1	44	0.0	-79.39	363.59	8.26	-71.13
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012614973	0	47	0.0	-78.31	359.62	7.76	-70.55
C#CC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012614973	1	47	0.0	-78.49	359.62	7.76	-70.73
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012614974	0	47	0.0	-78.43	365.30	7.49	-70.94
C#CC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012614974	1	47	0.0	-78.59	365.30	7.50	-71.09
C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012614975	0	49	0.0	-74.84	388.53	10.10	-64.74
C#CC[N@H+](C)CCCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012614975	1	49	0.0	-74.60	389.05	10.20	-64.40
C#CC[N@H+](C)CCCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012614976	0	53	0.0	-58.77	398.72	9.47	-49.30
C#CC[N@@H+](C)CCCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012614976	1	53	0.0	-57.84	396.24	9.55	-48.29
C#CC[N@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012614977	0	46	0.0	-61.93	378.48	9.97	-51.96
C#CC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012614977	1	46	0.0	-61.70	378.47	9.98	-51.72
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012614978	0	53	0.0	-77.11	431.90	10.64	-66.47
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012614978	1	53	0.0	-76.83	431.66	10.73	-66.10
C#CC[N@H+](C)CCCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012614979	0	47	0.0	-60.70	384.17	9.77	-50.93
C#CC[N@@H+](C)CCCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012614979	1	47	0.0	-79.62	379.69	10.25	-69.37
C#CC[N@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012614980	0	49	0.0	-73.37	404.25	9.01	-64.36
C#CC[N@@H+](C)CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012614980	1	49	0.0	-73.23	404.25	9.01	-64.22
C#CC[N@H+](C)CCCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012614981	0	43	0.0	-81.60	342.51	8.24	-73.36
C#CC[N@@H+](C)CCCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012614981	1	43	0.0	-81.56	342.48	8.16	-73.40
C#CC[N@H+](C)CCCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012614982	0	40	0.0	-84.78	331.98	7.21	-77.57
C#CC[N@@H+](C)CCCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012614982	1	40	0.0	-84.62	331.96	7.22	-77.40
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012614983	0	46	0.0	-78.44	386.39	8.25	-70.19
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012614983	1	46	0.0	-73.33	386.33	8.25	-65.08
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012614984	0	43	0.0	-76.09	370.79	7.10	-68.99
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012614984	1	43	0.0	-75.13	370.57	7.17	-67.96
C#CC[N@H+](C)CCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012614985	0	43	0.0	-74.41	349.49	7.74	-66.67
C#CC[N@@H+](C)CCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012614985	1	43	0.0	-74.29	349.49	7.75	-66.54
C#CC[N@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012614986	0	47	0.0	-79.39	384.73	7.91	-71.48
C#CC[N@@H+](C)CCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012614986	1	47	0.0	-79.51	384.73	7.91	-71.60
C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012614987	0	51	0.0	-80.40	408.55	9.55	-70.85
C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012614987	1	51	0.0	-80.11	408.56	9.54	-70.57
C#CC[N@H+](C)CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012614988	0	43	0.0	-76.09	370.79	7.10	-68.99
C#CC[N@@H+](C)CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012614988	1	43	0.0	-75.13	370.57	7.17	-67.96
C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012614989	0	47	0.0	-84.14	358.74	8.45	-75.69
C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012614989	1	47	0.0	-84.25	358.74	8.46	-75.79
C#CC[N@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012614990	0	47	0.0	-77.99	372.30	5.70	-72.29
C#CC[N@@H+](C)CCCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012614990	1	47	0.0	-77.84	372.30	5.71	-72.13
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CC(C)C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617088	0	52	0.0	-77.88	382.59	5.45	-72.43
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CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617096	0	55	0.0	-65.26	404.57	8.22	-57.04
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CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617102	0	52	0.0	-65.67	380.23	7.38	-58.29
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617103	0	52	0.0	-65.31	389.91	7.70	-57.61
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CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617105	0	55	0.0	-78.77	401.55	6.05	-72.72
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCCC1	REAL300012617106	0	53	0.0	-80.88	384.95	6.20	-74.68
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617107	0	56	0.0	-63.28	433.81	10.01	-53.27
CCC(C)(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617108	0	52	0.0	-76.12	374.62	5.49	-70.63
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CC2=CC=CC=C2C1	REAL300012617109	0	57	0.0	-80.56	425.81	8.47	-72.09
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1=CC(F)=CC=C1F	REAL300012617110	0	53	0.0	-78.17	417.24	7.42	-70.75
CC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012617111	0	56	0.0	-78.62	414.44	7.98	-70.64
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617112	0	49	0.0	-77.10	368.41	6.95	-70.15
CCCCCCC(C)(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617113	0	64	0.0	-76.53	460.61	8.58	-67.95
CN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012617114	0	59	0.0	-76.95	437.98	10.17	-66.78
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CC1	REAL300012617115	0	47	0.0	-82.05	354.64	5.28	-76.77
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1=CC=C(Cl)C=C1	REAL300012617116	0	53	0.0	-75.45	423.34	7.72	-67.73
O=C([O-])C1COCCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617117	0	51	0.0	-82.39	371.26	5.55	-76.84
CN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C1(C(=O)[O-])CCCCC1	REAL300012617118	0	59	0.0	-82.57	409.02	8.62	-73.95
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CC1	REAL300012617119	0	50	0.0	-76.27	380.23	5.67	-70.60
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617120	0	59	0.0	-66.24	449.81	10.73	-55.51
CN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012617121	0	56	0.0	-83.10	417.03	8.74	-74.36
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617122	0	53	0.0	-66.17	399.79	6.12	-60.05
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCC2=CC=CC=C21	REAL300012617123	0	57	0.0	-81.85	421.32	8.25	-73.60
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617124	0	50	0.0	-82.43	371.48	6.64	-75.79
O=C([O-])[C@H]1CCCCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617125	0	53	0.0	-84.75	380.14	8.00	-76.75
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617126	0	49	0.0	-74.08	361.32	6.17	-67.91
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617127	0	50	0.0	-83.86	370.81	6.71	-77.15
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCC1	REAL300012617128	0	50	0.0	-81.19	371.44	5.79	-75.40
C=CCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617129	0	50	0.0	-76.44	382.96	5.59	-70.85
CC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617130	0	53	0.0	-83.07	386.23	7.54	-75.53
O=C([O-])C1CCCCCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617131	0	56	0.0	-82.64	394.64	8.97	-73.67
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CC1	REAL300012617132	0	50	0.0	-76.27	380.23	5.67	-70.60
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617133	0	49	0.0	-74.67	360.44	6.13	-68.54
CCCCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617134	0	55	0.0	-77.63	413.47	6.66	-70.97
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617135	0	59	0.0	-66.24	449.81	10.73	-55.51
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617136	0	53	0.0	-81.15	385.26	7.63	-73.52
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CCCC1	REAL300012617137	0	56	0.0	-62.78	398.59	8.25	-54.53
COCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617138	0	50	0.0	-79.25	382.33	3.37	-75.88
CCCCCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617139	0	58	0.0	-77.44	434.97	7.46	-69.98
CCC1CCC(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)(C(=O)[O-])CC1	REAL300012617140	0	62	0.0	-79.72	439.07	8.58	-71.14
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CCOCC1	REAL300012617141	0	57	0.0	-64.83	413.18	6.83	-58.00
CN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C1(C(=O)[O-])CCCC1	REAL300012617142	0	56	0.0	-82.90	397.78	8.21	-74.69
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CC1	REAL300012617143	0	53	0.0	-66.49	386.83	7.62	-58.87
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CC1	REAL300012617144	0	56	0.0	-65.95	408.26	8.82	-57.13
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1=CC=CC=C1Cl	REAL300012617145	0	53	0.0	-79.53	418.18	7.70	-71.83
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1=CC=CC=C1F	REAL300012617146	0	53	0.0	-83.30	410.84	7.35	-75.95
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617147	0	57	0.0	-67.87	421.32	9.60	-58.27
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617148	0	62	0.0	-77.86	450.60	8.40	-69.46
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617149	0	59	0.0	-63.91	439.58	10.56	-53.35
CC1=CC=C(C(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C(=O)[O-])C=C1	REAL300012617150	0	56	0.0	-78.58	427.80	7.95	-70.63
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617151	0	49	0.0	-71.58	386.17	5.89	-65.69
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCSCC1	REAL300012617152	0	54	0.0	-76.95	397.51	6.98	-69.97
COCC(C)(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617153	0	53	0.0	-80.54	392.86	4.78	-75.76
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617154	0	56	0.0	-76.22	412.24	6.63	-69.59
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617155	0	55	0.0	-65.26	404.57	8.22	-57.04
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CC1	REAL300012617156	0	50	0.0	-80.23	369.32	7.19	-73.04
O=C([O-])CN(CCC(F)(F)F)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617157	0	52	0.0	-65.25	408.05	8.08	-57.17
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCOC1	REAL300012617158	0	51	0.0	-76.39	376.12	3.63	-72.76
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CCCCC1	REAL300012617159	0	59	0.0	-79.22	424.22	7.33	-71.89
CN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012617160	0	60	0.0	-76.03	440.01	7.84	-68.19
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCOCC1	REAL300012617161	0	54	0.0	-79.97	391.25	4.81	-75.16
C=CCCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617162	0	53	0.0	-77.27	404.78	6.46	-70.81
O=C([O-])C(CF)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617163	0	46	0.0	-66.96	352.27	4.12	-62.84
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617164	0	59	0.0	-81.04	436.79	10.76	-70.28
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617165	0	49	0.0	-74.67	360.44	6.13	-68.54
CCC(CC)(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617166	0	55	0.0	-77.63	391.29	6.38	-71.25
COC1=CC=C(C(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C(=O)[O-])C=C1	REAL300012617167	0	57	0.0	-78.16	435.50	6.53	-71.63
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617168	0	55	0.0	-64.58	399.12	8.27	-56.31
CCC(COC)(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617169	0	56	0.0	-81.73	409.30	5.69	-76.04
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617170	0	59	0.0	-76.83	432.33	7.28	-69.55
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617171	0	53	0.0	-77.49	402.60	6.56	-70.93
COCCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617172	0	53	0.0	-77.81	404.15	4.19	-73.62
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617173	0	58	0.0	-76.48	419.72	8.56	-67.92
O=C([O-])C(CC(F)F)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617174	0	49	0.0	-76.51	381.99	5.43	-71.08
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617175	0	59	0.0	-83.48	421.24	9.27	-74.21
CCCN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C(C)C(=O)[O-]	REAL300012617176	0	55	0.0	-59.47	401.07	8.50	-50.97
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617177	0	59	0.0	-82.43	438.29	10.81	-71.62
CCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012617178	0	59	0.0	-79.01	431.41	8.86	-70.15
COC1CCCC(C(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C(=O)[O-])C1	REAL300012617179	0	63	0.0	-82.66	455.82	6.38	-76.28
O=C([O-])C(CCF)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617180	0	49	0.0	-76.39	377.07	5.27	-71.12
COC1(CC(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C(=O)[O-])CCC1	REAL300012617181	0	60	0.0	-76.63	440.59	6.29	-70.34
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CCOCC1	REAL300012617182	0	57	0.0	-64.83	413.18	6.83	-58.00
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CCCCC1	REAL300012617183	0	59	0.0	-64.49	421.97	9.18	-55.31
C[C@H]1CC[C@@](NC(=O)NC2CC[NH+](CC3CCOC3)CC2)(C(=O)[O-])CC1	REAL300012617184	0	59	0.0	-80.59	413.79	7.71	-72.88
COC1=CC=CC(C(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C(=O)[O-])=C1	REAL300012617185	0	57	0.0	-80.77	435.92	6.56	-74.21
CC(CCF)(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617186	0	52	0.0	-73.31	381.21	5.63	-67.68
O=C([O-])C1C2=C(CCN1C(=O)NC1CC[NH+](CC3CCOC3)CC1)OC=C2	REAL300012617187	0	54	0.0	-68.61	404.20	7.79	-60.82
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617188	0	50	0.0	-78.31	385.12	6.86	-71.45
COC1=CC=CC([C@H](NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C(=O)[O-])=C1	REAL300012617189	0	57	0.0	-81.29	435.97	6.45	-74.84
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617190	0	49	0.0	-74.26	360.83	6.06	-68.20
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300012617191	0	59	0.0	-84.67	435.41	8.91	-75.76
CC1(C)CCCC(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)(C(=O)[O-])C1	REAL300012617192	0	62	0.0	-80.73	427.91	8.21	-72.52
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617193	0	51	0.0	-88.59	377.67	7.61	-80.98
COC1CN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C(C)(C(=O)[O-])C1	REAL300012617194	0	57	0.0	-82.26	418.25	6.59	-75.67
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617195	0	60	0.0	-76.21	437.40	6.70	-69.51
CC(C)(C)[C@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617196	0	55	0.0	-76.86	401.27	6.23	-70.63
C=C(Cl)CC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617197	0	50	0.0	-73.81	398.95	6.25	-67.56
C=C(C)CC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617198	0	53	0.0	-77.98	401.23	6.59	-71.39
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617199	0	54	0.0	-89.96	391.34	8.45	-81.51
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617200	0	50	0.0	-78.36	384.25	6.76	-71.60
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617201	0	50	0.0	-79.84	375.58	6.79	-73.05
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300012617202	0	51	0.0	-84.39	384.79	7.05	-77.34
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617203	0	60	0.0	-78.04	437.73	6.61	-71.43
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617204	0	55	0.0	-78.21	408.97	6.45	-71.76
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CCOCC1	REAL300012617205	0	57	0.0	-76.94	417.58	5.13	-71.81
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1=CC=CC=C1	REAL300012617206	0	53	0.0	-78.95	406.66	7.19	-71.76
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617207	0	53	0.0	-77.49	402.60	6.56	-70.93
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617208	0	52	0.0	-78.03	415.65	5.27	-72.76
CC(C)CCCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617209	0	61	0.0	-76.90	452.29	8.03	-68.87
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617210	0	57	0.0	-81.28	426.43	5.57	-75.71
CSCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617211	0	50	0.0	-75.11	393.95	5.53	-69.58
COC[C@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617212	0	50	0.0	-77.38	382.33	3.36	-74.02
CC[C@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617213	0	49	0.0	-77.44	370.07	5.16	-72.28
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617214	0	56	0.0	-76.60	434.91	8.24	-68.36
CCC(C)CC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617215	0	58	0.0	-77.31	427.17	7.14	-70.17
C=CCCCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617216	0	56	0.0	-77.14	426.29	7.23	-69.91
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617217	0	56	0.0	-77.14	435.09	8.18	-68.96
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617218	0	51	0.0	-83.50	380.29	8.12	-75.38
CC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012617219	0	56	0.0	-78.62	414.44	7.98	-70.64
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617220	0	50	0.0	-82.43	371.48	6.64	-75.79
CCCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617221	0	52	0.0	-77.04	391.73	5.95	-71.09
CC(C)[C@@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617222	0	52	0.0	-77.61	387.51	5.69	-71.92
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617223	0	54	0.0	-85.92	390.04	8.66	-77.26
CCN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C(C)(C)C(=O)[O-]	REAL300012617224	0	55	0.0	-79.25	395.12	7.88	-71.37
CCCN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C(C)C(=O)[O-]	REAL300012617225	0	55	0.0	-59.47	401.07	8.50	-50.97
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617226	0	49	0.0	-73.05	383.02	7.44	-65.61
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617227	0	49	0.0	-73.05	383.02	7.44	-65.61
CN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C(C)(C)C(=O)[O-]	REAL300012617228	0	52	0.0	-80.34	375.64	7.02	-73.32
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617229	0	50	0.0	-83.86	370.81	6.71	-77.15
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617230	0	62	0.0	-64.35	456.74	5.42	-58.93
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617231	0	51	0.0	-86.28	382.67	3.22	-83.06
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617232	0	57	0.0	-62.19	423.60	10.06	-52.13
CCC[C@@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617233	0	52	0.0	-77.31	391.56	5.92	-71.39
O=C([O-])[C@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1=CC=CC=C1	REAL300012617234	0	53	0.0	-79.21	406.48	7.17	-72.04
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617235	0	58	0.0	-79.57	446.76	7.14	-72.43
C=CCCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617236	0	53	0.0	-77.27	404.78	6.46	-70.81
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617237	0	52	0.0	-79.54	415.19	5.20	-74.34
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617238	0	53	0.0	-91.62	399.62	4.54	-87.08
CN1CC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CC1=O	REAL300012617239	0	54	0.0	-77.53	397.09	6.29	-71.24
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617240	0	53	0.0	-82.42	386.30	7.57	-74.85
CC(C)[C@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617241	0	52	0.0	-74.79	381.60	5.44	-69.35
O=C([O-])[C@@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1=CC=CC=C1	REAL300012617242	0	53	0.0	-79.13	406.46	7.17	-71.96
CC(CN1C=CC=N1)(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617243	0	56	0.0	-79.54	416.09	6.54	-73.00
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617244	0	49	0.0	-74.26	360.83	6.06	-68.20
CCC[C@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617245	0	52	0.0	-75.05	391.14	5.91	-69.14
CCN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C(C)C(=O)[O-]	REAL300012617246	0	52	0.0	-75.50	379.32	7.05	-68.45
O=C([O-])CN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CCCC1	REAL300012617247	0	56	0.0	-62.78	398.59	8.25	-54.53
CC(CN(C)C(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617248	0	52	0.0	-78.23	380.83	6.58	-71.65
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617249	0	55	0.0	-78.77	401.55	6.05	-72.72
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617250	0	52	0.0	-73.84	380.90	7.12	-66.72
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CC(CO)C1	REAL300012617251	0	54	0.0	-86.03	402.25	3.00	-83.03
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617252	0	62	0.0	-79.67	452.83	6.43	-73.24
CC1CCC(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)(C(=O)[O-])C1	REAL300012617253	0	56	0.0	-80.48	406.38	6.82	-73.66
CC1(C)CCCC1(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617254	0	59	0.0	-80.12	416.01	7.59	-72.53
COCCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617255	0	53	0.0	-77.81	404.15	4.19	-73.62
CN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012617256	0	59	0.0	-76.95	437.98	10.17	-66.78
CC1(C)CC(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)(C(=O)[O-])C1	REAL300012617257	0	56	0.0	-81.58	407.85	7.50	-74.08
CC1(C(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C(=O)[O-])CC1	REAL300012617258	0	53	0.0	-79.12	399.10	6.18	-72.94
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617259	0	62	0.0	-79.03	454.27	6.36	-72.67
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617260	0	51	0.0	-89.31	379.77	3.49	-85.82
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CCOC1	REAL300012617261	0	54	0.0	-76.31	397.48	4.10	-72.21
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617262	0	54	0.0	-86.65	390.77	8.13	-78.52
O=C([O-])C12COC(CN1C(=O)NC1CC[NH+](CC3CCOC3)CC1)C2	REAL300012617263	0	52	0.0	-83.53	383.53	5.91	-77.62
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300012617264	0	56	0.0	-85.82	401.27	8.90	-76.92
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617265	0	59	0.0	-78.77	445.64	8.53	-70.24
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617266	0	60	0.0	-76.98	438.44	8.99	-67.99
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CCC1	REAL300012617267	0	53	0.0	-77.61	395.34	6.17	-71.44
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CCCCC1	REAL300012617268	0	59	0.0	-79.22	424.22	7.33	-71.89
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CCC1	REAL300012617269	0	53	0.0	-77.61	395.34	6.17	-71.44
CC1CCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1C(=O)[O-]	REAL300012617270	0	53	0.0	-84.56	390.63	7.32	-77.24
C=CCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617271	0	50	0.0	-76.44	382.96	5.59	-70.85
O=C([O-])C(CC1CCCCO1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617272	0	60	0.0	-76.75	442.47	6.92	-69.83
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617273	0	60	0.0	-63.16	430.90	9.25	-53.91
CC1(C)CC(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)(C(=O)[O-])CCO1	REAL300012617274	0	60	0.0	-80.22	420.52	6.12	-74.10
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617275	0	54	0.0	-61.75	392.36	8.10	-53.65
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617276	0	60	0.0	-76.98	438.44	8.99	-67.99
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617277	0	56	0.0	-80.33	435.32	8.20	-72.13
COC1CC(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)(C(=O)[O-])C1	REAL300012617278	0	54	0.0	-83.29	404.98	4.78	-78.51
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CC(F)(F)C1	REAL300012617279	0	50	0.0	-79.37	379.87	5.83	-73.54
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](CC3CCOC3)CC2)(C(=O)[O-])C1	REAL300012617280	0	54	0.0	-78.70	403.71	5.06	-73.64
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1(C(F)(F)F)CC1	REAL300012617281	0	53	0.0	-71.34	410.00	6.72	-64.62
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617282	0	56	0.0	-84.47	399.63	8.82	-75.65
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617283	0	49	0.0	-71.58	386.17	5.89	-65.69
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617284	0	57	0.0	-78.36	424.60	5.24	-73.12
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)COC1	REAL300012617285	0	48	0.0	-75.23	362.43	2.86	-72.37
O=C([O-])C(CC1=CC=CS1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617286	0	53	0.0	-76.79	420.78	7.20	-69.59
CC(C)C(C)(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617287	0	55	0.0	-76.81	389.54	6.12	-70.69
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617288	0	51	0.0	-86.56	376.57	8.21	-78.35
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617289	0	54	0.0	-82.22	391.54	7.85	-74.37
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617290	0	59	0.0	-82.43	438.29	10.81	-71.62
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617291	0	62	0.0	-77.86	450.60	8.40	-69.46
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617292	0	59	0.0	-78.86	451.71	8.88	-69.98
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617293	0	59	0.0	-77.65	451.64	8.97	-68.68
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CC2CCC1C2	REAL300012617294	0	60	0.0	-79.14	431.66	7.97	-71.17
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617295	0	62	0.0	-78.33	450.54	8.34	-69.99
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617296	0	62	0.0	-78.50	450.64	8.29	-70.21
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617297	0	60	0.0	-61.13	431.01	9.00	-52.13
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617298	0	60	0.0	-84.91	427.84	8.69	-76.22
C=CCSCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617299	0	54	0.0	-75.12	428.45	6.93	-68.19
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617300	0	55	0.0	-75.88	395.52	8.01	-67.87
COC1(C(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C(=O)[O-])CCC1	REAL300012617301	0	57	0.0	-74.87	417.75	4.76	-70.11
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CC(C(F)F)C1	REAL300012617302	0	53	0.0	-76.89	401.84	6.55	-70.34
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617304	0	50	0.0	-79.84	375.58	6.79	-73.05
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617305	0	52	0.0	-62.21	385.25	7.87	-54.34
CC1(C)CCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1C(=O)[O-]	REAL300012617306	0	56	0.0	-84.68	405.37	7.68	-77.00
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617307	0	60	0.0	-84.53	425.66	9.67	-74.86
CC(C)CCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617308	0	58	0.0	-77.63	431.04	7.19	-70.44
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617309	0	57	0.0	-61.83	416.89	8.45	-53.38
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617310	0	57	0.0	-78.36	424.60	5.24	-73.12
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300012617311	0	54	0.0	-79.05	412.56	8.20	-70.85
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCCC2CC21	REAL300012617312	0	57	0.0	-79.63	408.51	7.70	-71.93
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCC2CC21	REAL300012617313	0	54	0.0	-82.30	392.97	7.06	-75.24
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CC2(CCC2)C1	REAL300012617314	0	57	0.0	-79.40	414.23	7.43	-71.97
CN(C(=O)NC1CC[NH+](CC2CCOC2)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012617315	0	59	0.0	-77.68	439.33	10.17	-67.51
O=C([O-])C1CC2(CN1C(=O)NC1CC[NH+](CC3CCOC3)CC1)CCCCC2	REAL300012617316	0	63	0.0	-61.08	445.27	9.47	-51.61
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CCCC1	REAL300012617317	0	56	0.0	-78.99	413.91	6.84	-72.15
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617318	0	53	0.0	-79.20	400.31	4.34	-74.86
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617319	0	53	0.0	-79.20	384.64	6.37	-72.83
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617320	0	56	0.0	-65.32	427.40	9.95	-55.37
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300012617321	0	56	0.0	-61.31	409.06	7.83	-53.48
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617322	0	53	0.0	-82.55	391.35	8.13	-74.42
O=C([O-])C1N(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CCC1(F)F	REAL300012617323	0	50	0.0	-87.51	383.20	6.77	-80.74
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617324	0	56	0.0	-80.33	435.32	8.20	-72.13
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617325	0	53	0.0	-77.44	418.89	7.08	-70.36
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617326	0	53	0.0	-76.20	398.42	7.69	-68.51
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617327	0	53	0.0	-77.44	418.89	7.08	-70.36
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617328	0	57	0.0	-85.45	407.62	8.41	-77.04
COCCCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617329	0	56	0.0	-77.03	425.65	4.95	-72.08
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617330	0	55	0.0	-75.72	402.40	7.89	-67.83
CCOCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617331	0	53	0.0	-79.42	404.19	4.34	-75.08
CC(C)(C)CC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617332	0	58	0.0	-78.07	421.31	7.53	-70.54
O=C([O-])C(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CCCCO1	REAL300012617333	0	57	0.0	-78.74	421.72	5.68	-73.06
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CC2=CC=CC=C2C1	REAL300012617334	0	57	0.0	-80.56	425.81	8.47	-72.09
C[C@H]1OCCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)[C@@H]1C(=O)[O-]	REAL300012617335	0	54	0.0	-81.96	391.12	6.62	-75.34
N#CCCC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300012617336	0	50	0.0	-78.33	391.09	5.69	-72.64
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617337	0	53	0.0	-64.60	409.07	8.09	-56.51
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300012617338	0	49	0.0	-74.08	361.32	6.17	-67.91
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300012617339	0	57	0.0	-83.43	424.34	6.99	-76.44
CC(C)C[C@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617340	0	54	0.0	-72.30	401.29	8.33	-63.97
CC(C)C[C@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617340	1	54	0.0	-73.00	401.64	8.41	-64.59
C=CCOCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617341	0	53	0.0	-75.24	409.92	6.88	-68.36
C=CCOCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617341	1	53	0.0	-73.84	409.26	6.81	-67.03
C=CC(C)C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617342	0	52	0.0	-71.20	393.47	8.23	-62.97
C=CC(C)C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617342	1	52	0.0	-70.85	393.16	8.18	-62.67
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCOCC1	REAL300012617343	0	56	0.0	-77.26	407.92	6.84	-70.42
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCOCC1	REAL300012617343	1	56	0.0	-76.42	407.63	6.83	-69.59
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC=C(F)C(F)=C1	REAL300012617344	0	52	0.0	-71.27	412.32	9.25	-62.02
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=C(F)C(F)=C1	REAL300012617344	1	52	0.0	-68.34	411.75	9.29	-59.05
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC=C(Cl)C(F)=C1	REAL300012617345	0	52	0.0	-70.98	422.21	9.69	-61.29
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=C(Cl)C(F)=C1	REAL300012617345	1	52	0.0	-68.56	421.89	9.66	-58.90
COC1CCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C(C(=O)[O-])C1	REAL300012617346	0	56	0.0	-81.30	403.56	9.04	-72.26
COC1CCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(C(=O)[O-])C1	REAL300012617346	1	56	0.0	-83.91	404.02	9.31	-74.60
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCCOC1	REAL300012617347	0	56	0.0	-72.24	408.50	6.89	-65.35
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCCOC1	REAL300012617347	1	56	0.0	-70.77	407.03	6.93	-63.84
CC1CCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C(C(=O)[O-])C1	REAL300012617348	0	55	0.0	-81.40	394.51	10.68	-70.72
CC1CCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(C(=O)[O-])C1	REAL300012617348	1	55	0.0	-82.78	387.50	10.58	-72.20
CC1=CC(C(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])=CC=C1F	REAL300012617349	0	55	0.0	-71.47	426.34	9.82	-61.65
CC1=CC(C(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])=CC=C1F	REAL300012617349	1	55	0.0	-71.17	426.00	9.80	-61.37
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC=C2OCCC2=C1	REAL300012617350	0	57	0.0	-74.26	435.50	8.98	-65.28
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=C2OCCC2=C1	REAL300012617350	1	57	0.0	-73.50	434.98	9.02	-64.48
CC1=CC(C(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])=CC(C)=C1	REAL300012617351	0	58	0.0	-74.77	442.15	10.52	-64.25
CC1=CC(C(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])=CC(C)=C1	REAL300012617351	1	58	0.0	-74.46	442.09	10.41	-64.05
CC1=CC=C(C(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])C=C1C	REAL300012617352	0	58	0.0	-75.31	438.01	10.33	-64.98
CC1=CC=C(C(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])C=C1C	REAL300012617352	1	58	0.0	-75.03	437.70	10.29	-64.74
CC1=CC=CC(C(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])=C1C	REAL300012617353	0	58	0.0	-73.26	429.33	10.18	-63.08
CC1=CC=CC(C(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])=C1C	REAL300012617353	1	58	0.0	-73.52	428.75	10.17	-63.35
COC1=CC=C(C(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])C=C1F	REAL300012617354	0	56	0.0	-74.88	435.31	8.49	-66.39
COC1=CC=C(C(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])C=C1F	REAL300012617354	1	56	0.0	-74.65	434.76	8.54	-66.11
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617355	0	51	0.0	-58.17	377.65	9.41	-48.76
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617355	1	51	0.0	-58.18	383.34	9.58	-48.60
CC(C(=O)[O-])N(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCC1	REAL300012617356	0	55	0.0	-61.28	391.02	9.87	-51.41
CC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCC1	REAL300012617356	1	55	0.0	-47.84	388.29	10.67	-37.17
CCCN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C(COC)C(=O)[O-]	REAL300012617357	0	58	0.0	-73.50	425.44	10.45	-63.05
CCCN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(COC)C(=O)[O-]	REAL300012617357	1	58	0.0	-75.76	424.19	10.61	-65.15
CCCN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C(CC)C(=O)[O-]	REAL300012617358	0	57	0.0	-72.32	408.83	10.59	-61.73
CCCN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(CC)C(=O)[O-]	REAL300012617358	1	57	0.0	-75.00	411.06	11.22	-63.78
CC(C)C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617359	0	51	0.0	-73.32	376.12	7.37	-65.95
CC(C)C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617359	1	51	0.0	-72.12	374.58	7.43	-64.69
O=C([O-])C1CCCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617360	0	52	0.0	-81.88	372.43	10.08	-71.80
O=C([O-])C1CCCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617360	1	52	0.0	-81.00	372.87	9.97	-71.03
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC=C(Cl)C=C1	REAL300012617361	0	52	0.0	-70.64	416.10	9.74	-60.90
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=C(Cl)C=C1	REAL300012617361	1	52	0.0	-70.83	416.00	9.61	-61.22
O=C([O-])C1CSCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617362	0	50	0.0	-78.38	373.13	9.84	-68.54
O=C([O-])C1CSCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617362	1	50	0.0	-81.27	373.54	10.22	-71.05
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCCCC1	REAL300012617363	0	55	0.0	-76.04	392.97	9.27	-66.77
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCCCC1	REAL300012617363	1	55	0.0	-76.49	392.37	9.25	-67.24
O=C([O-])C1CCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617364	0	49	0.0	-80.79	364.40	8.55	-72.24
O=C([O-])C1CCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617364	1	49	0.0	-79.37	364.90	8.51	-70.86
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCCC1	REAL300012617365	0	52	0.0	-75.92	377.19	8.09	-67.83
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCCC1	REAL300012617365	1	52	0.0	-76.64	378.47	8.16	-68.48
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCCCCC1	REAL300012617366	0	58	0.0	-76.11	402.81	9.83	-66.28
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCCCCC1	REAL300012617366	1	58	0.0	-75.60	399.06	9.90	-65.70
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617367	0	55	0.0	-74.62	421.83	10.09	-64.53
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617367	1	55	0.0	-73.79	421.32	10.10	-63.69
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617368	0	55	0.0	-57.03	414.27	11.58	-45.45
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617368	1	55	0.0	-55.29	413.97	11.54	-43.75
O=C([O-])[C@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC=CC=C1	REAL300012617369	0	52	0.0	-73.71	399.60	9.09	-64.62
O=C([O-])[C@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=CC=C1	REAL300012617369	1	52	0.0	-73.91	398.81	9.19	-64.72
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC=CC=C1	REAL300012617370	0	52	0.0	-74.40	399.63	9.15	-65.25
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=CC=C1	REAL300012617370	1	52	0.0	-74.21	399.26	9.09	-65.12
CC(C)C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617371	0	51	0.0	-73.32	376.12	7.37	-65.95
CC(C)C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617371	1	51	0.0	-72.12	374.58	7.43	-64.69
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617372	0	55	0.0	-74.62	421.83	10.09	-64.53
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617372	1	55	0.0	-73.79	421.32	10.10	-63.69
CCC(C)C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617373	0	54	0.0	-73.15	393.97	8.07	-65.08
CCC(C)C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617373	1	54	0.0	-72.70	393.07	8.05	-64.65
O=C([O-])C1CCCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617374	0	52	0.0	-81.88	372.43	10.08	-71.80
O=C([O-])C1CCCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617374	1	52	0.0	-81.00	372.87	9.97	-71.03
CCCC(C)(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617375	0	54	0.0	-72.15	389.09	8.18	-63.97
CCCC(C)(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617375	1	54	0.0	-72.27	388.77	8.15	-64.12
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617376	0	51	0.0	-58.69	371.58	9.14	-49.55
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617376	1	51	0.0	-58.70	371.26	9.10	-49.60
O=C([O-])CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CC1	REAL300012617377	0	49	0.0	-73.92	366.57	9.27	-64.65
O=C([O-])CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CC1	REAL300012617377	1	49	0.0	-56.40	364.48	9.31	-47.09
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617378	0	49	0.0	-57.42	374.19	9.43	-47.99
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617378	1	49	0.0	-57.41	373.88	9.39	-48.02
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617379	0	54	0.0	-56.78	397.29	9.93	-46.85
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617379	1	54	0.0	-56.10	396.97	9.89	-46.21
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617380	0	56	0.0	-82.57	410.28	12.18	-70.39
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617380	1	56	0.0	-83.53	411.72	12.42	-71.11
CC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)(C(=O)[O-])C1CC1	REAL300012617381	0	52	0.0	-73.24	375.53	8.19	-65.05
CC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)(C(=O)[O-])C1CC1	REAL300012617381	1	52	0.0	-72.71	376.52	8.08	-64.63
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC=CS1	REAL300012617382	0	49	0.0	-72.27	391.23	8.23	-64.04
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=CS1	REAL300012617382	1	49	0.0	-71.88	390.89	8.18	-63.70
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCCCC1	REAL300012617383	0	55	0.0	-76.04	392.97	9.27	-66.77
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCCCC1	REAL300012617383	1	55	0.0	-76.49	392.37	9.25	-67.24
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617384	0	55	0.0	-55.35	437.11	12.39	-42.96
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617384	1	55	0.0	-55.44	436.77	12.36	-43.08
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617385	0	51	0.0	-58.69	371.58	9.14	-49.55
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617385	1	51	0.0	-58.70	371.26	9.10	-49.60
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617386	0	51	0.0	-58.17	377.65	9.41	-48.76
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617386	1	51	0.0	-58.18	383.34	9.58	-48.60
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617387	0	59	0.0	-74.14	450.03	10.13	-64.01
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617387	1	59	0.0	-74.66	450.37	10.17	-64.49
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617388	0	54	0.0	-73.60	394.66	7.98	-65.62
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617388	1	54	0.0	-72.77	393.04	7.97	-64.80
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCCC1	REAL300012617389	0	52	0.0	-75.92	377.19	8.09	-67.83
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCCC1	REAL300012617389	1	52	0.0	-76.64	378.47	8.16	-68.48
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617390	0	55	0.0	-55.63	426.78	11.94	-43.69
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617390	1	55	0.0	-55.69	426.44	11.90	-43.79
CCC(C)(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617391	0	51	0.0	-72.26	367.59	7.43	-64.83
CCC(C)(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617391	1	51	0.0	-72.02	367.27	7.39	-64.63
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CC2=CC=CC=C2C1	REAL300012617392	0	56	0.0	-74.64	417.59	10.25	-64.39
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC2=CC=CC=C2C1	REAL300012617392	1	56	0.0	-74.69	419.51	10.35	-64.34
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC(F)=CC=C1F	REAL300012617393	0	52	0.0	-73.48	409.60	9.30	-64.18
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC(F)=CC=C1F	REAL300012617393	1	52	0.0	-74.61	410.12	9.26	-65.35
CC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012617394	0	55	0.0	-74.10	407.38	9.90	-64.20
CC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012617394	1	55	0.0	-73.69	407.09	9.87	-63.82
CCCCCCC(C)(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617395	0	63	0.0	-72.66	453.58	10.52	-62.14
CCCCCCC(C)(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617395	1	63	0.0	-72.00	453.26	10.48	-61.52
CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012617396	0	58	0.0	-72.58	430.91	12.11	-60.47
CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012617396	1	58	0.0	-72.77	429.79	11.97	-60.80
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC=C(Cl)C=C1	REAL300012617397	0	52	0.0	-70.64	416.10	9.74	-60.90
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=C(Cl)C=C1	REAL300012617397	1	52	0.0	-70.83	416.00	9.61	-61.22
O=C([O-])C1COCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617398	0	50	0.0	-78.03	364.50	7.42	-70.61
O=C([O-])C1COCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617398	1	50	0.0	-78.68	363.98	7.50	-71.18
CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C1(C(=O)[O-])CCCCC1	REAL300012617399	0	58	0.0	-77.48	402.14	10.54	-66.94
CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1(C(=O)[O-])CCCCC1	REAL300012617399	1	58	0.0	-77.94	401.63	10.58	-67.36
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CC1	REAL300012617400	0	49	0.0	-74.27	368.34	7.56	-66.71
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CC1	REAL300012617400	1	49	0.0	-73.89	369.54	7.55	-66.34
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617401	0	58	0.0	-58.79	437.55	12.43	-46.36
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617401	1	58	0.0	-59.35	443.24	12.60	-46.75
CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012617402	0	55	0.0	-71.66	407.23	10.79	-60.87
CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012617402	1	55	0.0	-71.62	406.56	10.65	-60.97
COCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617403	0	52	0.0	-58.16	392.75	8.05	-50.11
COCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617403	1	52	0.0	-57.77	392.10	8.02	-49.75
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCC2=CC=CC=C21	REAL300012617404	0	56	0.0	-77.54	414.18	10.20	-67.34
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCC2=CC=CC=C21	REAL300012617404	1	56	0.0	-77.19	414.01	10.18	-67.01
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617405	0	49	0.0	-80.69	364.47	8.55	-72.14
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617405	1	49	0.0	-79.85	364.75	8.61	-71.24
O=C([O-])[C@H]1CCCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617406	0	52	0.0	-81.54	373.14	9.96	-71.58
O=C([O-])[C@H]1CCCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617406	1	52	0.0	-80.17	373.53	9.88	-70.29
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617407	0	49	0.0	-80.61	362.95	8.59	-72.02
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617407	1	49	0.0	-78.98	362.88	8.52	-70.46
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCC1	REAL300012617408	0	49	0.0	-76.93	363.38	7.66	-69.27
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCC1	REAL300012617408	1	49	0.0	-76.94	364.01	7.76	-69.18
C=CCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617409	0	49	0.0	-72.36	376.75	7.49	-64.87
C=CCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617409	1	49	0.0	-72.45	376.41	7.48	-64.97
CC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617410	0	52	0.0	-78.01	379.26	9.48	-68.53
CC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617410	1	52	0.0	-78.63	378.80	9.42	-69.21
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617411	0	59	0.0	-80.32	455.48	10.06	-70.26
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617411	1	59	0.0	-80.71	455.22	10.04	-70.67
O=C([O-])C1CCCCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617412	0	55	0.0	-79.25	386.35	10.81	-68.44
O=C([O-])C1CCCCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617412	1	55	0.0	-78.18	387.99	10.83	-67.35
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CC1	REAL300012617413	0	49	0.0	-74.27	368.34	7.56	-66.71
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CC1	REAL300012617413	1	49	0.0	-73.89	369.54	7.55	-66.34
CCCCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617414	0	54	0.0	-72.88	406.19	8.66	-64.22
CCCCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617414	1	54	0.0	-72.57	405.89	8.63	-63.94
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617415	0	58	0.0	-58.79	437.55	12.43	-46.36
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617415	1	58	0.0	-59.35	443.24	12.60	-46.75
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617416	0	52	0.0	-78.39	379.34	9.51	-68.88
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617416	1	52	0.0	-78.50	378.70	9.50	-69.00
O=C([O-])CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCCC1	REAL300012617417	0	55	0.0	-57.94	398.75	10.50	-47.44
O=C([O-])CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCCC1	REAL300012617417	1	55	0.0	-54.09	391.34	10.18	-43.91
COCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617418	0	49	0.0	-74.78	375.30	5.29	-69.49
COCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617418	1	49	0.0	-73.91	374.99	5.26	-68.65
CCCCCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617419	0	57	0.0	-73.47	427.93	9.37	-64.10
CCCCCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617419	1	57	0.0	-72.06	427.39	9.42	-62.64
CCC1CCC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)(C(=O)[O-])CC1	REAL300012617420	0	61	0.0	-72.18	425.70	9.79	-62.39
CCC1CCC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)(C(=O)[O-])CC1	REAL300012617420	1	61	0.0	-71.88	425.11	9.70	-62.18
O=C([O-])CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCOCC1	REAL300012617421	0	56	0.0	-56.54	400.04	8.45	-48.09
O=C([O-])CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCOCC1	REAL300012617421	1	56	0.0	-56.31	405.95	8.74	-47.57
CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C1(C(=O)[O-])CCCC1	REAL300012617422	0	55	0.0	-78.80	387.43	9.81	-68.99
CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1(C(=O)[O-])CCCC1	REAL300012617422	1	55	0.0	-78.94	390.40	10.13	-68.81
CC(C(=O)[O-])N(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CC1	REAL300012617423	0	52	0.0	-72.97	377.34	9.73	-63.24
CC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CC1	REAL300012617423	1	52	0.0	-68.86	372.84	9.12	-59.74
CCC(C(=O)[O-])N(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CC1	REAL300012617424	0	55	0.0	-60.17	400.42	10.55	-49.62
CCC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CC1	REAL300012617424	1	55	0.0	-72.10	390.69	10.18	-61.92
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC=CC=C1Cl	REAL300012617425	0	52	0.0	-75.06	409.79	9.55	-65.51
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=CC=C1Cl	REAL300012617425	1	52	0.0	-75.18	411.99	9.56	-65.62
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC=CC=C1F	REAL300012617426	0	52	0.0	-78.93	403.25	9.24	-69.69
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=CC=C1F	REAL300012617426	1	52	0.0	-78.39	403.50	9.25	-69.14
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617427	0	56	0.0	-60.01	415.00	11.47	-48.54
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617427	1	56	0.0	-62.40	415.45	11.45	-50.95
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617428	0	55	0.0	-78.50	437.09	10.43	-68.07
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617428	1	55	0.0	-77.88	437.03	10.40	-67.48
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617429	0	61	0.0	-74.19	443.79	10.32	-63.87
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617429	1	61	0.0	-73.39	443.51	10.23	-63.16
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617430	0	58	0.0	-56.55	428.35	12.53	-44.02
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617430	1	58	0.0	-56.60	428.12	12.47	-44.13
CC1=CC=C(C(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])C=C1	REAL300012617431	0	55	0.0	-74.49	421.02	9.82	-64.67
CC1=CC=C(C(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])C=C1	REAL300012617431	1	55	0.0	-74.23	420.68	9.76	-64.47
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617432	0	48	0.0	-67.23	379.13	7.83	-59.40
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617432	1	48	0.0	-66.62	378.23	7.75	-58.87
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC2=CC=CC=C2C=C1	REAL300012617433	0	58	0.0	-75.40	445.33	11.48	-63.92
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC2=CC=CC=C2C=C1	REAL300012617433	1	58	0.0	-75.20	445.25	11.37	-63.83
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCSCC1	REAL300012617434	0	53	0.0	-72.82	390.67	8.95	-63.87
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCSCC1	REAL300012617434	1	53	0.0	-72.85	390.03	8.91	-63.94
COCC(C)(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617435	0	52	0.0	-76.95	385.84	6.71	-70.24
COCC(C)(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617435	1	52	0.0	-76.23	385.52	6.68	-69.55
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617436	0	55	0.0	-71.47	405.57	8.44	-63.03
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617436	1	55	0.0	-71.15	404.94	8.40	-62.75
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617437	0	54	0.0	-56.78	397.29	9.93	-46.85
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617437	1	54	0.0	-56.10	396.97	9.89	-46.21
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617438	0	61	0.0	-54.81	443.18	12.53	-42.28
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617438	1	61	0.0	-53.37	446.68	12.52	-40.85
O=C([O-])CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CC1	REAL300012617439	0	49	0.0	-73.92	366.57	9.27	-64.65
O=C([O-])CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CC1	REAL300012617439	1	49	0.0	-56.40	364.48	9.31	-47.09
O=C([O-])CN(CCC(F)(F)F)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617440	0	51	0.0	-57.87	401.00	9.99	-47.88
O=C([O-])CN(CCC(F)(F)F)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617440	1	51	0.0	-58.68	401.47	9.96	-48.72
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCOC1	REAL300012617441	0	50	0.0	-72.42	362.89	5.27	-67.15
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCOC1	REAL300012617441	1	50	0.0	-71.65	368.79	5.52	-66.13
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCCCC1	REAL300012617442	0	58	0.0	-75.06	422.11	9.50	-65.56
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCCCC1	REAL300012617442	1	58	0.0	-72.53	418.96	9.44	-63.09
CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C(COC1CCC1)C(=O)[O-]	REAL300012617443	0	59	0.0	-71.74	432.98	9.77	-61.97
CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(COC1CCC1)C(=O)[O-]	REAL300012617443	1	59	0.0	-72.22	433.65	9.88	-62.34
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617444	0	59	0.0	-81.54	431.73	12.91	-68.63
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617444	1	59	0.0	-81.22	437.52	13.22	-68.00
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCOCC1	REAL300012617445	0	53	0.0	-76.04	384.37	6.78	-69.26
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCOCC1	REAL300012617445	1	53	0.0	-76.02	383.73	6.75	-69.27
C=CCCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617446	0	52	0.0	-72.81	397.50	8.44	-64.37
C=CCCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617446	1	52	0.0	-72.76	397.44	8.35	-64.41
O=C([O-])C(CF)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617447	0	45	0.0	-61.96	345.22	6.05	-55.91
O=C([O-])C(CF)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617447	1	45	0.0	-61.51	344.75	6.05	-55.46
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617448	0	58	0.0	-50.37	431.98	12.89	-37.48
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617448	1	58	0.0	-49.39	430.11	12.67	-36.72
CCC(CC)(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617449	0	54	0.0	-72.66	384.23	8.27	-64.39
CCC(CC)(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617449	1	54	0.0	-73.23	383.69	8.30	-64.93
COC1=CC=C(C(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])C=C1	REAL300012617450	0	56	0.0	-73.29	428.86	8.52	-64.77
COC1=CC=C(C(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])C=C1	REAL300012617450	1	56	0.0	-73.49	428.17	8.43	-65.06
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617451	0	54	0.0	-55.00	394.37	10.39	-44.61
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617451	1	54	0.0	-56.03	391.79	10.16	-45.87
CCC(COC)(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617452	0	55	0.0	-77.85	402.49	7.61	-70.24
CCC(COC)(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617452	1	55	0.0	-78.01	402.19	7.58	-70.43
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617453	0	58	0.0	-70.90	426.66	9.18	-61.72
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617453	1	58	0.0	-71.67	425.45	9.09	-62.58
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCS(=O)(=O)CC1	REAL300012617454	0	55	0.0	-78.00	409.43	5.26	-72.74
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCS(=O)(=O)CC1	REAL300012617454	1	55	0.0	-78.10	408.92	5.17	-72.93
O=C([O-])C(CC1CC1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617455	0	52	0.0	-72.87	395.34	8.57	-64.30
O=C([O-])C(CC1CC1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617455	1	52	0.0	-72.63	395.25	8.44	-64.19
COCCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617456	0	52	0.0	-73.34	396.87	6.17	-67.17
COCCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617456	1	52	0.0	-72.98	396.81	6.10	-66.88
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617457	0	57	0.0	-71.40	412.62	10.47	-60.93
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617457	1	57	0.0	-71.04	411.08	10.36	-60.68
O=C([O-])C(CC(F)F)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617458	0	48	0.0	-73.31	375.79	7.34	-65.97
O=C([O-])C(CC(F)F)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617458	1	48	0.0	-67.34	373.51	7.62	-59.72
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617459	0	58	0.0	-81.67	410.88	11.22	-70.45
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617459	1	58	0.0	-79.01	416.16	11.34	-67.67
CCCN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C(C)C(=O)[O-]	REAL300012617460	0	54	0.0	-49.67	393.98	10.40	-39.27
CCCN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(C)C(=O)[O-]	REAL300012617460	1	54	0.0	-58.95	392.19	9.57	-49.38
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617461	0	58	0.0	-48.65	431.67	12.75	-35.90
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617461	1	58	0.0	-47.23	428.30	12.72	-34.51
CCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012617462	0	58	0.0	-75.25	424.39	10.80	-64.45
CCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012617462	1	58	0.0	-74.92	424.00	10.74	-64.18
COC1CCCC(C(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])C1	REAL300012617463	0	62	0.0	-77.15	448.67	8.26	-68.89
COC1CCCC(C(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])C1	REAL300012617463	1	62	0.0	-78.89	449.91	8.22	-70.67
O=C([O-])C(CCF)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617464	0	48	0.0	-72.04	369.78	7.25	-64.79
O=C([O-])C(CCF)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617464	1	48	0.0	-71.22	369.48	7.23	-63.99
COC1(CC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])CCC1	REAL300012617465	0	59	0.0	-72.53	429.78	8.34	-64.19
COC1(CC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])CCC1	REAL300012617465	1	59	0.0	-71.51	429.98	8.17	-63.34
O=C([O-])CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCOCC1	REAL300012617466	0	56	0.0	-56.54	400.04	8.45	-48.09
O=C([O-])CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCOCC1	REAL300012617466	1	56	0.0	-56.31	405.95	8.74	-47.57
O=C([O-])CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCCCC1	REAL300012617467	0	58	0.0	-57.80	415.10	11.15	-46.65
O=C([O-])CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCCCC1	REAL300012617467	1	58	0.0	-56.19	414.56	11.15	-45.04
C[C@H]1CC[C@@](NC(=O)NC2CC[N@H+](CC3CCCC3)C2)(C(=O)[O-])CC1	REAL300012617468	0	58	0.0	-75.83	406.54	9.53	-66.30
C[C@H]1CC[C@@](NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)(C(=O)[O-])CC1	REAL300012617468	1	58	0.0	-76.44	406.11	9.61	-66.83
COC1=CC=CC(C(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])=C1	REAL300012617469	0	56	0.0	-76.76	429.11	8.43	-68.33
COC1=CC=CC(C(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])=C1	REAL300012617469	1	56	0.0	-75.64	428.55	8.46	-67.18
CC(CCF)(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617470	0	51	0.0	-69.20	374.18	7.57	-61.63
CC(CCF)(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617470	1	51	0.0	-68.95	373.86	7.53	-61.42
O=C([O-])C1C2=C(CCN1C(=O)NC1CC[N@H+](CC3CCCC3)C1)OC=C2	REAL300012617471	0	53	0.0	-63.65	396.89	9.75	-53.90
O=C([O-])C1C2=C(CCN1C(=O)NC1CC[N@@H+](CC3CCCC3)C1)OC=C2	REAL300012617471	1	53	0.0	-60.77	396.48	9.74	-51.03
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617472	0	49	0.0	-73.63	377.19	8.63	-65.00
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617472	1	49	0.0	-73.43	377.89	8.66	-64.77
COC1=CC=CC([C@H](NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])=C1	REAL300012617473	0	56	0.0	-75.29	428.45	8.43	-66.86
COC1=CC=CC([C@H](NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])=C1	REAL300012617473	1	56	0.0	-76.56	428.80	8.38	-68.18
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300012617474	0	58	0.0	-76.76	429.31	9.91	-66.85
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300012617474	1	58	0.0	-68.45	428.64	9.92	-58.53
COC1=CC=CC(CC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])=C1	REAL300012617475	0	59	0.0	-73.14	451.14	9.44	-63.70
COC1=CC=CC(CC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])=C1	REAL300012617475	1	59	0.0	-72.38	450.83	9.40	-62.98
CC1(C)CCCC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)(C(=O)[O-])C1	REAL300012617476	0	61	0.0	-77.71	414.72	9.82	-67.89
CC1(C)CCCC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)(C(=O)[O-])C1	REAL300012617476	1	61	0.0	-77.48	420.53	10.10	-67.38
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617477	0	50	0.0	-84.76	369.62	9.59	-75.17
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617477	1	50	0.0	-81.58	366.74	9.51	-72.07
COC1CN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C(C)(C(=O)[O-])C1	REAL300012617478	0	56	0.0	-80.15	406.76	8.17	-71.98
COC1CN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(C)(C(=O)[O-])C1	REAL300012617478	1	56	0.0	-77.68	410.71	8.45	-69.23
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617479	0	59	0.0	-72.38	430.66	8.58	-63.80
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617479	1	59	0.0	-71.75	430.34	8.56	-63.19
CC(C)(C)[C@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617480	0	54	0.0	-72.25	392.57	8.16	-64.09
CC(C)(C)[C@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617480	1	54	0.0	-72.99	392.03	8.17	-64.82
C=C(Cl)CC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617481	0	49	0.0	-73.77	392.71	8.10	-65.67
C=C(Cl)CC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617481	1	49	0.0	-67.93	391.36	8.20	-59.73
C=C(C)CC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617482	0	52	0.0	-73.68	393.94	8.59	-65.09
C=C(C)CC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617482	1	52	0.0	-73.12	396.98	8.22	-64.90
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617483	0	53	0.0	-87.09	384.22	10.37	-76.72
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617483	1	53	0.0	-86.99	384.26	10.33	-76.66
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617484	0	58	0.0	-72.62	431.39	10.32	-62.30
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617484	1	58	0.0	-72.32	431.12	10.29	-62.03
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617485	0	49	0.0	-74.49	375.98	8.73	-65.76
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617485	1	49	0.0	-73.25	375.46	8.73	-64.52
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617486	0	49	0.0	-77.73	368.09	8.70	-69.03
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617486	1	49	0.0	-76.92	369.41	8.57	-68.35
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300012617487	0	50	0.0	-78.99	377.59	8.90	-70.09
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300012617487	1	50	0.0	-79.09	376.90	9.02	-70.07
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617488	0	59	0.0	-74.03	430.69	8.54	-65.49
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617488	1	59	0.0	-73.69	430.40	8.50	-65.19
CC(C)C[C@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617489	0	54	0.0	-72.30	401.29	8.33	-63.97
CC(C)C[C@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617489	1	54	0.0	-73.00	401.64	8.41	-64.59
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCOCC1	REAL300012617490	0	56	0.0	-77.26	407.92	6.84	-70.42
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCOCC1	REAL300012617490	1	56	0.0	-76.42	407.63	6.83	-69.59
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC=CC=C1	REAL300012617491	0	52	0.0	-74.40	399.63	9.15	-65.25
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=CC=C1	REAL300012617491	1	52	0.0	-74.21	399.26	9.09	-65.12
O=C([O-])C(CC1CC1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617492	0	52	0.0	-72.87	395.34	8.57	-64.30
O=C([O-])C(CC1CC1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617492	1	52	0.0	-72.63	395.25	8.44	-64.19
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617493	0	51	0.0	-73.69	408.37	7.26	-66.43
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617493	1	51	0.0	-73.57	408.31	7.17	-66.40
CC(C)CCCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617494	0	60	0.0	-72.99	445.25	9.94	-63.05
CC(C)CCCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617494	1	60	0.0	-72.03	444.96	9.94	-62.09
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617495	0	58	0.0	-76.45	450.45	10.55	-65.90
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617495	1	58	0.0	-77.04	451.05	10.48	-66.56
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617496	0	56	0.0	-76.48	418.73	7.42	-69.06
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617496	1	56	0.0	-72.18	417.61	7.83	-64.35
CSCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617497	0	49	0.0	-70.23	386.90	7.46	-62.77
CSCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617497	1	49	0.0	-70.05	386.83	7.38	-62.67
COC[C@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617498	0	49	0.0	-74.12	375.28	5.26	-68.86
COC[C@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617498	1	49	0.0	-74.52	375.32	5.26	-69.26
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617499	0	55	0.0	-72.19	428.26	10.11	-62.08
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617499	1	55	0.0	-72.96	427.71	10.13	-62.83
CCC(C)CC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617500	0	57	0.0	-73.82	420.37	9.00	-64.82
CCC(C)CC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617500	1	57	0.0	-72.62	419.23	9.00	-63.62
C=CCCCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617501	0	55	0.0	-73.56	419.24	9.15	-64.41
C=CCCCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617501	1	55	0.0	-72.71	418.94	9.15	-63.56
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617502	0	55	0.0	-72.18	427.99	10.21	-61.97
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617502	1	55	0.0	-72.71	427.92	10.11	-62.60
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC=CC2=CC=CC=C21	REAL300012617503	0	58	0.0	-77.11	439.46	11.36	-65.75
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=CC2=CC=CC=C21	REAL300012617503	1	58	0.0	-76.99	439.08	11.29	-65.70
O=C([O-])C1CSCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617504	0	50	0.0	-78.38	373.13	9.84	-68.54
O=C([O-])C1CSCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617504	1	50	0.0	-81.27	373.54	10.22	-71.05
CC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012617505	0	55	0.0	-74.10	407.38	9.90	-64.20
CC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012617505	1	55	0.0	-73.69	407.09	9.87	-63.82
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617506	0	49	0.0	-80.69	364.47	8.55	-72.14
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617506	1	49	0.0	-79.85	364.75	8.61	-71.24
CCCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617507	0	51	0.0	-73.51	384.93	7.81	-65.70
CCCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617507	1	51	0.0	-72.10	384.39	7.86	-64.24
CC(C)[C@@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617508	0	51	0.0	-73.72	375.56	7.40	-66.32
CC(C)[C@@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617508	1	51	0.0	-73.66	380.00	7.57	-66.09
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617509	0	53	0.0	-83.99	383.37	10.50	-73.49
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617509	1	53	0.0	-84.96	383.71	10.50	-74.46
CCN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012617510	0	54	0.0	-74.80	387.49	9.77	-65.03
CCN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012617510	1	54	0.0	-75.01	387.87	9.78	-65.23
CCCN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C(C)C(=O)[O-]	REAL300012617511	0	54	0.0	-49.67	393.98	10.40	-39.27
CCCN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(C)C(=O)[O-]	REAL300012617511	1	54	0.0	-58.95	392.19	9.57	-49.38
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617512	0	48	0.0	-73.83	368.41	9.13	-64.70
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617512	1	48	0.0	-73.24	368.11	9.10	-64.14
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617513	0	48	0.0	-73.83	368.41	9.13	-64.70
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617513	1	48	0.0	-73.24	368.11	9.10	-64.14
CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012617514	0	51	0.0	-75.07	368.54	8.91	-66.16
CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012617514	1	51	0.0	-74.08	367.72	8.85	-65.23
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617515	0	49	0.0	-80.61	362.95	8.59	-72.02
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617515	1	49	0.0	-78.98	362.88	8.52	-70.46
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617516	0	61	0.0	-59.64	449.70	7.36	-52.28
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617516	1	61	0.0	-57.68	448.25	7.15	-50.53
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617517	0	50	0.0	-80.83	374.13	5.15	-75.68
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617517	1	50	0.0	-80.57	374.76	5.20	-75.37
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC[N@H+](CC3CCCC3)C2)CC1	REAL300012617518	1	65	0.0	-59.00	473.76	7.05	-51.95
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC1	REAL300012617518	1	65	0.0	-57.44	474.60	7.18	-50.26
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617519	0	56	0.0	-53.10	417.92	11.92	-41.18
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617519	1	56	0.0	-53.86	416.12	11.79	-42.07
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC[N@H+](CC3CCCC3)C2)[C@H]1C(=O)[O-]	REAL300012617520	0	59	0.0	-62.88	420.29	11.79	-51.09
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)[C@H]1C(=O)[O-]	REAL300012617520	1	59	0.0	-60.98	426.06	12.21	-48.77
CCC[C@@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617521	0	51	0.0	-73.00	384.70	7.87	-65.13
CCC[C@@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617521	1	51	0.0	-72.64	384.63	7.78	-64.86
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617522	0	57	0.0	-72.46	417.83	10.16	-62.30
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617522	1	57	0.0	-72.72	418.98	10.26	-62.46
O=C([O-])[C@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC=CC=C1	REAL300012617523	0	52	0.0	-73.71	399.60	9.09	-64.62
O=C([O-])[C@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=CC=C1	REAL300012617523	1	52	0.0	-73.91	398.81	9.19	-64.72
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617524	0	57	0.0	-75.23	439.48	9.13	-66.10
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617524	1	57	0.0	-74.30	439.18	9.10	-65.20
C=CCCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617525	0	52	0.0	-72.81	397.50	8.44	-64.37
C=CCCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617525	1	52	0.0	-72.76	397.44	8.35	-64.41
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617526	0	51	0.0	-75.88	408.36	7.07	-68.81
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617526	1	51	0.0	-76.00	408.12	7.03	-68.97
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617527	0	52	0.0	-69.80	427.92	8.89	-60.91
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617527	1	52	0.0	-69.38	427.36	8.91	-60.47
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617528	0	52	0.0	-88.41	391.84	6.27	-82.14
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617528	1	52	0.0	-89.60	392.07	6.43	-83.17
CN1CC(C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3CCCC3)C2)CC1=O	REAL300012617529	0	53	0.0	-74.00	390.01	8.19	-65.81
CN1CC(C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC1=O	REAL300012617529	1	53	0.0	-73.24	390.67	8.22	-65.02
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617530	0	52	0.0	-79.02	379.35	9.52	-69.50
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617530	1	52	0.0	-77.97	379.07	9.51	-68.46
CC(C)[C@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617531	0	51	0.0	-73.01	376.11	7.34	-65.67
CC(C)[C@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617531	1	51	0.0	-71.74	377.64	7.58	-64.16
O=C([O-])[C@@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CC=CC=C1	REAL300012617532	0	52	0.0	-73.66	399.36	9.22	-64.44
O=C([O-])[C@@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=CC=C1	REAL300012617532	1	52	0.0	-73.67	398.38	9.15	-64.52
CC(CN1C=CC=N1)(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617533	0	55	0.0	-72.53	413.54	8.50	-64.03
CC(CN1C=CC=N1)(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617533	1	55	0.0	-75.27	408.68	8.44	-66.83
CCC[C@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617534	0	51	0.0	-72.56	384.71	7.90	-64.66
CCC[C@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617534	1	51	0.0	-72.43	383.80	7.82	-64.61
CCN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C(C)C(=O)[O-]	REAL300012617535	0	51	0.0	-73.15	374.82	9.54	-63.61
CCN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(C)C(=O)[O-]	REAL300012617535	1	51	0.0	-70.16	370.56	8.88	-61.28
O=C([O-])CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCCC1	REAL300012617536	0	55	0.0	-57.94	398.75	10.50	-47.44
O=C([O-])CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCCC1	REAL300012617536	1	55	0.0	-54.09	391.34	10.18	-43.91
CC(CN(C)C(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617537	0	51	0.0	-75.45	374.66	8.54	-66.91
CC(CN(C)C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617537	1	51	0.0	-74.83	375.16	8.50	-66.33
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617538	0	54	0.0	-73.60	394.66	7.98	-65.62
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617538	1	54	0.0	-72.77	393.04	7.97	-64.80
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617539	0	51	0.0	-69.85	374.91	9.19	-60.66
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617539	1	51	0.0	-70.72	373.00	8.95	-61.77
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CC(CO)C1	REAL300012617540	0	53	0.0	-81.12	394.81	4.85	-76.27
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC(CO)C1	REAL300012617540	1	53	0.0	-82.14	394.65	4.93	-77.21
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617541	0	61	0.0	-74.34	446.05	8.30	-66.04
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617541	1	61	0.0	-75.37	446.94	8.34	-67.03
CC1CCC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)(C(=O)[O-])C1	REAL300012617542	0	55	0.0	-75.67	399.56	8.73	-66.94
CC1CCC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)(C(=O)[O-])C1	REAL300012617542	1	55	0.0	-76.34	399.19	8.73	-67.61
CC1(C)CCCC1(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617543	0	58	0.0	-76.39	408.96	9.50	-66.89
CC1(C)CCCC1(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617543	1	58	0.0	-76.47	407.08	9.37	-67.10
COCCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617544	0	52	0.0	-73.34	396.87	6.17	-67.17
COCCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617544	1	52	0.0	-72.98	396.81	6.10	-66.88
CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012617545	0	58	0.0	-72.58	430.91	12.11	-60.47
CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012617545	1	58	0.0	-72.77	429.79	11.97	-60.80
CC1(C)CC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)(C(=O)[O-])C1	REAL300012617546	0	55	0.0	-77.83	400.81	9.45	-68.38
CC1(C)CC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)(C(=O)[O-])C1	REAL300012617546	1	55	0.0	-78.21	400.38	9.44	-68.77
CC1CCC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012617547	0	62	0.0	-77.90	448.39	11.51	-66.39
CC1CCC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012617547	1	62	0.0	-78.63	448.27	11.45	-67.18
CC1(C(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])CC1	REAL300012617548	0	52	0.0	-74.11	383.48	7.72	-66.39
CC1(C(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])CC1	REAL300012617548	1	52	0.0	-74.51	389.45	8.03	-66.48
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617549	0	61	0.0	-74.68	447.65	8.26	-66.42
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617549	1	61	0.0	-73.57	446.93	8.30	-65.27
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617550	0	50	0.0	-85.78	372.66	5.46	-80.32
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617550	1	50	0.0	-85.11	373.23	5.47	-79.64
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617551	0	60	0.0	-63.87	441.71	12.48	-51.39
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617551	1	60	0.0	-61.26	441.42	12.69	-48.57
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCOC1	REAL300012617552	0	53	0.0	-73.27	396.82	6.24	-67.03
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCOC1	REAL300012617552	1	53	0.0	-70.47	396.08	6.21	-64.26
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617553	0	53	0.0	-82.10	384.13	9.97	-72.13
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617553	1	53	0.0	-82.60	385.04	10.07	-72.53
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1=CNC2=CC=CC=C12	REAL300012617554	0	56	0.0	-80.82	431.51	9.27	-71.55
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1=CNC2=CC=CC=C12	REAL300012617554	1	56	0.0	-81.74	431.22	9.16	-72.58
O=C([O-])C12COC(CN1C(=O)NC1CC[N@H+](CC3CCCC3)C1)C2	REAL300012617555	0	51	0.0	-80.34	376.13	7.85	-72.49
O=C([O-])C12COC(CN1C(=O)NC1CC[N@@H+](CC3CCCC3)C1)C2	REAL300012617555	1	51	0.0	-79.85	376.19	7.76	-72.09
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300012617556	0	55	0.0	-80.93	393.83	10.61	-70.32
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300012617556	1	55	0.0	-80.77	393.14	10.50	-70.27
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617557	0	58	0.0	-75.05	429.30	10.13	-64.92
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617557	1	58	0.0	-74.14	438.29	10.45	-63.69
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617558	0	59	0.0	-73.16	435.86	10.27	-62.89
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617558	1	59	0.0	-72.49	435.56	10.23	-62.26
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCC1	REAL300012617559	0	52	0.0	-73.89	390.35	8.09	-65.80
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCC1	REAL300012617559	1	52	0.0	-74.27	383.76	7.92	-66.35
CC1(C)CC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)(C(=O)[O-])CC(C)(C)O1	REAL300012617560	0	65	0.0	-74.98	455.64	9.70	-65.28
CC1(C)CC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)(C(=O)[O-])CC(C)(C)O1	REAL300012617560	1	65	0.0	-75.26	455.56	9.80	-65.46
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCCCC1	REAL300012617561	0	58	0.0	-75.06	422.11	9.50	-65.56
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCCCC1	REAL300012617561	1	58	0.0	-72.53	418.96	9.44	-63.09
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCC1	REAL300012617562	0	52	0.0	-73.89	390.35	8.09	-65.80
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCC1	REAL300012617562	1	52	0.0	-74.27	383.76	7.92	-66.35
CC1CCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1C(=O)[O-]	REAL300012617563	0	52	0.0	-78.96	382.73	9.42	-69.54
CC1CCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1C(=O)[O-]	REAL300012617563	1	52	0.0	-80.31	379.59	9.05	-71.26
C=CCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617564	0	49	0.0	-72.36	376.75	7.49	-64.87
C=CCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617564	1	49	0.0	-72.45	376.41	7.48	-64.97
O=C([O-])C(CC1CCCCO1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617565	0	59	0.0	-72.28	435.68	8.77	-63.51
O=C([O-])C(CC1CCCCO1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617565	1	59	0.0	-71.95	435.13	8.82	-63.13
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617566	0	59	0.0	-50.52	409.54	10.80	-39.72
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617566	1	59	0.0	-50.54	408.72	10.72	-39.82
CC1(C)CC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)(C(=O)[O-])CCO1	REAL300012617567	0	59	0.0	-76.48	407.31	7.73	-68.75
CC1(C)CC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)(C(=O)[O-])CCO1	REAL300012617567	1	59	0.0	-76.76	412.98	8.00	-68.76
CC1=CC=CC2=C1CCN(C(=O)NC1CC[N@H+](CC3CCCC3)C1)C2C(=O)[O-]	REAL300012617568	0	59	0.0	-88.14	427.71	12.55	-75.59
CC1=CC=CC2=C1CCN(C(=O)NC1CC[N@@H+](CC3CCCC3)C1)C2C(=O)[O-]	REAL300012617568	1	59	0.0	-62.66	432.29	11.97	-50.69
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617569	0	53	0.0	-51.89	384.11	9.97	-41.92
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617569	1	53	0.0	-50.47	385.13	10.00	-40.47
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617570	0	59	0.0	-73.16	435.86	10.27	-62.89
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617570	1	59	0.0	-72.49	435.56	10.23	-62.26
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617571	0	55	0.0	-71.08	428.29	10.15	-60.93
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617571	1	55	0.0	-70.34	427.98	10.11	-60.23
COC1CC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)(C(=O)[O-])C1	REAL300012617572	0	53	0.0	-79.44	396.82	6.62	-72.82
COC1CC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)(C(=O)[O-])C1	REAL300012617572	1	53	0.0	-74.38	396.69	6.98	-67.40
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CC(F)(F)C1	REAL300012617573	0	49	0.0	-75.98	373.27	7.77	-68.21
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC(F)(F)C1	REAL300012617573	1	49	0.0	-69.49	376.39	8.05	-61.44
CO[C@H]1C[C@](NC(=O)NC2CC[N@H+](CC3CCCC3)C2)(C(=O)[O-])C1	REAL300012617574	0	53	0.0	-73.75	396.49	6.89	-66.86
CO[C@H]1C[C@](NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)(C(=O)[O-])C1	REAL300012617574	1	53	0.0	-73.19	395.45	6.56	-66.63
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1(C(F)(F)F)CC1	REAL300012617575	0	52	0.0	-74.36	402.30	8.85	-65.51
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1(C(F)(F)F)CC1	REAL300012617575	1	52	0.0	-68.10	404.52	8.42	-59.68
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617576	0	55	0.0	-81.53	389.39	10.46	-71.07
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617576	1	55	0.0	-78.55	392.56	10.34	-68.21
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617577	0	48	0.0	-67.23	379.13	7.83	-59.40
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617577	1	48	0.0	-66.62	378.23	7.75	-58.87
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617578	0	56	0.0	-71.89	413.57	7.67	-64.22
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617578	1	56	0.0	-73.19	417.98	7.06	-66.13
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)COC1	REAL300012617579	0	47	0.0	-70.76	355.32	4.68	-66.08
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)COC1	REAL300012617579	1	47	0.0	-71.43	354.92	4.82	-66.61
O=C([O-])C(CC1=CC=CS1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617580	0	52	0.0	-73.74	413.45	9.21	-64.53
O=C([O-])C(CC1=CC=CS1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617580	1	52	0.0	-73.58	412.57	9.12	-64.46
COCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012617581	0	59	0.0	-73.36	440.59	9.12	-64.24
COCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012617581	1	59	0.0	-72.96	440.08	9.06	-63.90
CC(C)C(C)(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617582	0	54	0.0	-72.59	382.52	8.05	-64.54
CC(C)C(C)(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617582	1	54	0.0	-73.14	384.00	8.08	-65.06
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617583	0	50	0.0	-82.13	368.16	10.12	-72.01
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617583	1	50	0.0	-82.92	368.92	10.05	-72.87
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617584	0	53	0.0	-80.62	385.39	9.45	-71.17
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617584	1	53	0.0	-81.00	385.22	9.72	-71.28
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617585	0	58	0.0	-48.65	431.67	12.75	-35.90
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617585	1	58	0.0	-47.23	428.30	12.72	-34.51
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617586	0	61	0.0	-74.19	443.79	10.32	-63.87
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617586	1	61	0.0	-73.39	443.51	10.23	-63.16
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617587	0	58	0.0	-73.72	444.62	10.92	-62.80
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617587	1	58	0.0	-74.23	444.54	10.81	-63.42
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617588	0	58	0.0	-73.23	444.59	10.87	-62.36
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617588	1	58	0.0	-74.72	444.87	10.82	-63.90
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CC2CCC1C2	REAL300012617589	0	59	0.0	-74.97	420.81	9.67	-65.30
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CC2CCC1C2	REAL300012617589	1	59	0.0	-75.54	425.28	9.66	-65.88
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617590	0	61	0.0	-73.66	443.44	10.38	-63.28
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617590	1	61	0.0	-73.41	443.51	10.22	-63.19
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617591	0	61	0.0	-72.50	442.89	10.25	-62.25
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617591	1	61	0.0	-73.31	442.34	10.26	-63.05
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617592	0	59	0.0	-52.03	423.40	10.91	-41.12
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617592	1	59	0.0	-51.68	423.39	10.92	-40.76
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617593	0	59	0.0	-82.29	420.20	10.76	-71.53
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617593	1	59	0.0	-80.94	419.43	10.70	-70.24
COC1=CC=C(CC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])C=C1	REAL300012617594	0	59	0.0	-76.14	451.38	9.39	-66.75
COC1=CC=C(CC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])C=C1	REAL300012617594	1	59	0.0	-75.44	451.06	9.35	-66.09
C=CCSCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617595	0	53	0.0	-70.78	421.41	8.84	-61.94
C=CCSCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617595	1	53	0.0	-69.43	420.20	8.93	-60.50
N#CC1=CC=C(CC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])C=C1	REAL300012617596	0	56	0.0	-73.77	442.47	10.54	-63.23
N#CC1=CC=C(CC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])C=C1	REAL300012617596	1	56	0.0	-73.22	442.14	10.50	-62.72
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617597	0	54	0.0	-71.78	387.99	9.87	-61.91
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617597	1	54	0.0	-70.47	387.34	9.72	-60.75
COC1(C(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])CCC1	REAL300012617598	0	56	0.0	-75.91	409.91	6.94	-68.97
COC1(C(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])CCC1	REAL300012617598	1	56	0.0	-70.08	409.21	6.62	-63.46
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCC(C(F)F)CC1	REAL300012617599	0	58	0.0	-73.50	424.89	10.07	-63.43
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCC(C(F)F)CC1	REAL300012617599	1	58	0.0	-75.57	417.66	9.25	-66.32
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCC2=CC=CC=C2C1	REAL300012617600	0	59	0.0	-75.52	430.85	11.17	-64.35
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCC2=CC=CC=C2C1	REAL300012617600	1	59	0.0	-75.85	431.42	11.15	-64.70
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CC(C(F)F)C1	REAL300012617601	0	52	0.0	-79.44	396.25	8.48	-70.96
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC(C(F)F)C1	REAL300012617601	1	52	0.0	-72.47	394.50	8.48	-63.99
CC(C)C1=CC=C(C(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])C=C1	REAL300012617603	0	61	0.0	-73.62	459.60	11.15	-62.47
CC(C)C1=CC=C(C(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])C=C1	REAL300012617603	1	61	0.0	-73.79	459.50	11.02	-62.77
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617604	0	49	0.0	-77.73	368.09	8.70	-69.03
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617604	1	49	0.0	-76.92	369.41	8.57	-68.35
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617605	0	51	0.0	-50.75	377.04	9.82	-40.93
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617605	1	51	0.0	-52.08	377.38	9.76	-42.32
CC1(C)CCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1C(=O)[O-]	REAL300012617606	0	55	0.0	-79.76	398.37	9.54	-70.22
CC1(C)CCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1C(=O)[O-]	REAL300012617606	1	55	0.0	-80.29	396.11	9.73	-70.56
CCOC1=CC=C(C(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C(=O)[O-])C=C1	REAL300012617607	0	59	0.0	-73.54	450.96	9.37	-64.17
CCOC1=CC=C(C(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C(=O)[O-])C=C1	REAL300012617607	1	59	0.0	-73.22	450.02	9.35	-63.87
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617608	0	59	0.0	-81.46	418.65	11.63	-69.83
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617608	1	59	0.0	-81.84	416.59	11.63	-70.21
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCC2=CC=CC=C21	REAL300012617609	0	59	0.0	-77.18	439.95	11.18	-66.00
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCC2=CC=CC=C21	REAL300012617609	1	59	0.0	-74.47	441.72	10.86	-63.61
CC(COC1=CC=CC=C1)(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617610	0	59	0.0	-78.83	442.05	10.17	-68.66
CC(COC1=CC=CC=C1)(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617610	1	59	0.0	-78.56	441.73	10.13	-68.43
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617611	0	55	0.0	-69.82	430.05	10.29	-59.53
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617611	1	55	0.0	-69.16	428.93	10.31	-58.85
CC(C)CCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617612	0	57	0.0	-73.62	424.00	9.12	-64.50
CC(C)CCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617612	1	57	0.0	-73.30	423.70	9.08	-64.22
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617613	0	56	0.0	-53.46	409.09	10.44	-43.02
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617613	1	56	0.0	-52.27	409.39	10.40	-41.87
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617614	0	56	0.0	-71.89	413.57	7.67	-64.22
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617614	1	56	0.0	-73.19	417.98	7.06	-66.13
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300012617615	0	53	0.0	-78.44	399.58	9.81	-68.63
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300012617615	1	53	0.0	-77.75	406.17	9.92	-67.83
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCCC2CC21	REAL300012617616	0	56	0.0	-77.97	398.17	9.91	-68.06
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCCC2CC21	REAL300012617616	1	56	0.0	-78.06	398.04	9.78	-68.28
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCC2CC21	REAL300012617617	0	53	0.0	-77.85	386.27	8.98	-68.87
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCC2CC21	REAL300012617617	1	53	0.0	-76.37	386.92	8.73	-67.64
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CC2(CCC2)C1	REAL300012617618	0	56	0.0	-76.32	407.12	9.40	-66.92
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC2(CCC2)C1	REAL300012617618	1	56	0.0	-76.44	407.08	9.41	-67.03
CN(C(=O)NC1CC[N@H+](CC2CCCC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012617619	0	58	0.0	-74.18	432.46	12.13	-62.05
CN(C(=O)NC1CC[N@@H+](CC2CCCC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012617619	1	58	0.0	-71.64	430.08	12.00	-59.64
O=C([O-])C1CC2(CN1C(=O)NC1CC[N@H+](CC3CCCC3)C1)CCCCC2	REAL300012617620	0	62	0.0	-52.16	437.55	11.39	-40.77
O=C([O-])C1CC2(CN1C(=O)NC1CC[N@@H+](CC3CCCC3)C1)CCCCC2	REAL300012617620	1	62	0.0	-51.48	438.71	11.37	-40.11
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCCC1	REAL300012617621	0	55	0.0	-74.13	404.76	8.70	-65.43
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCCC1	REAL300012617621	1	55	0.0	-73.62	399.67	8.55	-65.07
CO[C@H](C)[C@H](NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617622	0	52	0.0	-74.05	393.46	6.31	-67.74
CO[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617622	1	52	0.0	-74.38	392.85	6.28	-68.10
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617623	0	52	0.0	-75.62	377.65	8.29	-67.33
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617623	1	52	0.0	-77.78	382.00	8.58	-69.20
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617624	0	55	0.0	-57.03	414.27	11.58	-45.45
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617624	1	55	0.0	-55.29	413.97	11.54	-43.75
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300012617625	0	55	0.0	-53.34	400.78	9.66	-43.68
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300012617625	1	55	0.0	-51.14	401.68	9.73	-41.41
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617626	0	52	0.0	-80.16	384.49	10.07	-70.09
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617626	1	52	0.0	-79.40	383.74	9.98	-69.42
O=C([O-])C1N(C(=O)NC2CC[N@H+](CC3CCCC3)C2)CCC1(F)F	REAL300012617627	0	49	0.0	-80.73	374.68	8.57	-72.16
O=C([O-])C1N(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCC1(F)F	REAL300012617627	1	49	0.0	-83.53	374.59	8.68	-74.85
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617628	0	55	0.0	-71.08	428.29	10.15	-60.93
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617628	1	55	0.0	-70.34	427.98	10.11	-60.23
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617629	0	52	0.0	-74.16	412.67	8.98	-65.18
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617629	1	52	0.0	-73.25	412.14	9.01	-64.24
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617630	0	52	0.0	-72.79	390.50	9.65	-63.14
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617630	1	52	0.0	-71.88	391.05	9.63	-62.25
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CC2(CC(F)(F)C2)C1	REAL300012617631	0	56	0.0	-77.93	426.62	9.83	-68.10
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC2(CC(F)(F)C2)C1	REAL300012617631	1	56	0.0	-76.79	426.29	9.75	-67.04
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617632	0	52	0.0	-74.16	412.67	8.98	-65.18
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617632	1	52	0.0	-73.25	412.14	9.01	-64.24
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617633	0	56	0.0	-80.98	399.70	9.98	-71.00
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617633	1	56	0.0	-82.67	395.00	9.75	-72.92
COCCCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617634	0	55	0.0	-72.29	418.36	6.95	-65.34
COCCCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617634	1	55	0.0	-72.00	418.30	6.87	-65.13
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617635	0	54	0.0	-71.39	395.37	9.82	-61.57
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617635	1	54	0.0	-70.21	395.26	9.83	-60.38
CCOCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617636	0	52	0.0	-74.74	397.01	6.31	-68.43
CCOCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617636	1	52	0.0	-73.91	396.71	6.28	-67.63
CC(C)(C)CC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617637	0	57	0.0	-74.12	414.26	9.47	-64.65
CC(C)(C)CC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617637	1	57	0.0	-73.26	413.74	9.48	-63.78
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CCCCO1	REAL300012617638	0	56	0.0	-76.08	413.19	7.62	-68.46
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CCCCO1	REAL300012617638	1	56	0.0	-75.72	414.24	7.64	-68.08
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CC2=CC=CC=C2C1	REAL300012617639	0	56	0.0	-74.64	417.59	10.25	-64.39
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC2=CC=CC=C2C1	REAL300012617639	1	56	0.0	-74.69	419.51	10.35	-64.34
C[C@H]1OCCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)[C@@H]1C(=O)[O-]	REAL300012617640	0	53	0.0	-82.13	378.17	8.21	-73.92
C[C@H]1OCCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)[C@@H]1C(=O)[O-]	REAL300012617640	1	53	0.0	-81.49	384.20	8.52	-72.97
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617641	0	55	0.0	-73.32	403.42	9.98	-63.34
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617641	1	55	0.0	-76.06	403.95	9.91	-66.15
N#CCCC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617642	0	49	0.0	-74.83	384.05	7.61	-67.22
N#CCCC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300012617642	1	49	0.0	-73.95	383.75	7.59	-66.36
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617643	0	58	0.0	-77.97	451.79	10.32	-67.65
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617643	1	58	0.0	-76.79	451.23	10.34	-66.45
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617644	0	52	0.0	-58.86	402.03	10.01	-48.85
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617644	1	52	0.0	-58.52	396.09	9.73	-48.79
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617645	0	63	0.0	-80.42	434.15	10.52	-69.90
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617645	1	63	0.0	-80.60	435.17	10.48	-70.12
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300012617646	0	54	0.0	-69.86	433.62	8.70	-61.16
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300012617646	1	54	0.0	-74.66	433.38	8.69	-65.97
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300012617647	0	56	0.0	-78.07	417.10	8.82	-69.25
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300012617647	1	56	0.0	-75.80	415.90	8.98	-66.82
CN1C=C(N2CCC(NC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])C2)C=N1	REAL300012618115	0	59	0.0	-62.18	443.95	4.79	-57.39
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2=CC=C(O)C=C2)CC1	REAL300012618405	0	57	0.0	-61.27	439.99	5.88	-55.39
CC(C)C[C@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619176	0	54	0.0	-64.38	400.35	8.70	-55.68
C=CCOCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619177	0	53	0.0	-66.46	408.11	7.13	-59.33
C=CC(C)C(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619178	0	52	0.0	-63.02	391.52	8.50	-54.52
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC2=CC=CC=C2C1	REAL300012619179	0	56	0.0	-66.48	408.35	7.80	-58.68
COC1CCN(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C(C(=O)[O-])C1	REAL300012619180	0	56	0.0	-78.16	403.33	9.66	-68.50
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCOC2)CC2=CC=CC=C2C1	REAL300012619181	0	56	0.0	-68.32	406.05	7.18	-61.14
CC1CCN(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C(C(=O)[O-])C1	REAL300012619182	0	55	0.0	-77.34	385.53	10.63	-66.71
CC1=CC(C(NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C(=O)[O-])=CC=C1F	REAL300012619183	0	55	0.0	-65.26	423.87	10.64	-54.62
CC1=CC(C(NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C(=O)[O-])=CC(C)=C1	REAL300012619184	0	58	0.0	-69.87	439.86	10.77	-59.10
CC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C(=O)[O-])C=C1C	REAL300012619185	0	58	0.0	-69.31	435.79	11.07	-58.24
CC1=CC=CC(C(NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C(=O)[O-])=C1C	REAL300012619186	0	58	0.0	-67.47	426.43	10.88	-56.59
CCCN(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619187	0	51	0.0	-57.56	380.65	10.36	-47.20
CC(C(=O)[O-])N(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C1CCC1	REAL300012619188	0	55	0.0	-49.56	383.24	11.34	-38.22
CCCN(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(COC)C(=O)[O-]	REAL300012619189	0	58	0.0	-63.98	419.44	9.56	-54.42
CCCN(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(CC)C(=O)[O-]	REAL300012619190	0	57	0.0	-63.09	407.20	10.75	-52.34
CC(C)C(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619191	0	51	0.0	-64.33	372.95	7.74	-56.59
C[NH+](C)C1(CNC(=O)N2CCCCC2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619192	0	52	0.0	-76.66	371.81	10.59	-66.07
C[NH+](C)C1(CNC(=O)N2CCSCC2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619193	0	50	0.0	-74.60	373.11	10.75	-63.85
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCCC2)CC2=CC=CC=C2C1	REAL300012619194	0	55	0.0	-74.38	393.06	9.83	-64.55
C[NH+](C)C1(CNC(=O)N2CCCC2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619195	0	49	0.0	-76.25	362.23	9.53	-66.72
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCC2)CC2=CC=CC=C2C1	REAL300012619196	0	52	0.0	-74.40	378.48	8.74	-65.66
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCCCC2)CC2=CC=CC=C2C1	REAL300012619197	0	58	0.0	-70.29	396.40	10.66	-59.63
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619198	0	55	0.0	-71.29	419.04	10.36	-60.93
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC2=CC=CC=C2C1	REAL300012619199	0	55	0.0	-54.34	418.43	12.14	-42.20
C[NH+](C)C1(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC2=CC=CC=C2C1	REAL300012619200	0	52	0.0	-65.42	397.45	9.50	-55.92
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC2=CC=CC=C2C1	REAL300012619201	0	52	0.0	-73.41	399.02	9.73	-63.68
CCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619202	0	48	0.0	-65.09	361.50	7.33	-57.76
CC(C)C(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619203	0	51	0.0	-64.33	372.95	7.74	-56.59
CN(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619204	0	45	0.0	-64.74	337.62	8.15	-56.59
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619205	0	55	0.0	-71.29	419.04	10.36	-60.93
CC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619206	0	45	0.0	-58.27	339.98	6.27	-52.00
CCC(C)C(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619207	0	54	0.0	-64.87	391.44	8.36	-56.51
CN(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619208	0	45	0.0	-64.74	337.62	8.15	-56.59
C[NH+](C)C1(CNC(=O)N2CCCCC2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619209	0	52	0.0	-76.66	371.81	10.59	-66.07
CCCC(C)(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619210	0	54	0.0	-64.31	387.13	8.45	-55.86
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619211	0	51	0.0	-64.57	369.12	9.39	-55.18
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CC2)CC2=CC=CC=C2C1	REAL300012619212	0	49	0.0	-66.29	363.44	9.95	-56.34
C=CCN(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619213	0	49	0.0	-54.55	372.24	9.69	-44.86
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619214	0	54	0.0	-57.57	395.31	10.87	-46.70
C[NH+](C)C1(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619215	0	56	0.0	-73.64	409.66	12.98	-60.66
C[NH+](C)C1(CNC(=O)NC(C)(C)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619216	0	48	0.0	-57.36	352.25	6.71	-50.65
C[NH+](C)C1(CNC(=O)NC(C)(C(=O)[O-])C2CC2)CC2=CC=CC=C2C1	REAL300012619217	0	52	0.0	-70.01	375.09	8.47	-61.54
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC2=CC=CC=C2C1	REAL300012619218	0	49	0.0	-62.25	388.74	8.55	-53.70
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCCC2)CC2=CC=CC=C2C1	REAL300012619219	0	55	0.0	-74.38	393.06	9.83	-64.55
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619220	0	51	0.0	-64.57	369.12	9.39	-55.18
CCCN(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619221	0	51	0.0	-57.56	380.65	10.36	-47.20
CCN(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619222	0	48	0.0	-66.82	359.15	9.60	-57.22
CC[C@H](C)[C@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619223	0	54	0.0	-68.23	392.47	8.75	-59.48
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCC2)CC2=CC=CC=C2C1	REAL300012619224	0	52	0.0	-74.40	378.48	8.74	-65.66
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC2=CC=CC=C2C1	REAL300012619225	0	55	0.0	-55.76	418.52	12.38	-43.38
CCC(C)(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619226	0	51	0.0	-64.15	365.64	7.70	-56.45
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC2=CC=CC=C2C1	REAL300012619227	0	56	0.0	-69.55	416.73	11.17	-58.38
C[NH+](C)C1(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC2=CC=CC=C2C1	REAL300012619228	0	55	0.0	-66.54	405.46	10.18	-56.36
C[C@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619229	0	45	0.0	-57.60	340.07	6.31	-51.29
CCN(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619230	0	48	0.0	-66.82	359.15	9.60	-57.22
CCCCCCC(C)(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619231	0	63	0.0	-64.51	451.63	10.79	-53.72
CN(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012619232	0	58	0.0	-71.99	430.46	12.30	-59.69
C[C@@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619233	0	45	0.0	-61.24	339.40	6.77	-54.47
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300012619234	0	46	0.0	-70.59	345.57	7.97	-62.62
C[NH+](C)C1(CNC(=O)N2CCOCC2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619235	0	50	0.0	-74.30	364.44	8.15	-66.15
CN(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C1(C(=O)[O-])CCCCC1	REAL300012619236	0	58	0.0	-71.46	400.00	11.33	-60.13
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CC2)CC2=CC=CC=C2C1	REAL300012619237	0	49	0.0	-70.54	367.99	7.86	-62.68
C[NH+](C)C1(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC2=CC=CC=C2C1	REAL300012619238	0	58	0.0	-55.98	440.83	12.91	-43.07
CN(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012619239	0	55	0.0	-66.66	404.83	11.41	-55.25
COCCN(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619240	0	52	0.0	-58.08	390.59	9.09	-48.99
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC2=CC=CC=C2C1	REAL300012619241	0	56	0.0	-74.13	412.35	10.47	-63.66
C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619242	0	49	0.0	-76.12	361.12	8.93	-67.19
C[NH+](C)C1(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619243	0	52	0.0	-73.02	371.27	10.85	-62.17
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619244	0	48	0.0	-61.18	352.32	8.35	-52.83
C[NH+](C)C1(CNC(=O)N2CCC[C@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619245	0	49	0.0	-70.53	361.05	8.99	-61.54
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCC2)CC2=CC=CC=C2C1	REAL300012619246	0	49	0.0	-74.80	364.66	8.33	-66.47
C=CCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619247	0	49	0.0	-64.12	374.53	7.85	-56.27
C[NH+](C)C1(CNC(=O)N2CCCC2(C)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619248	0	52	0.0	-71.49	377.06	10.25	-61.24
C[NH+](C)C1(CNC(=O)N2CCCCCC2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619249	0	55	0.0	-76.08	386.41	11.11	-64.97
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CC2)CC2=CC=CC=C2C1	REAL300012619250	0	49	0.0	-70.54	367.99	7.86	-62.68
CC(C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619251	0	48	0.0	-61.83	352.53	8.38	-53.45
CCCCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619252	0	54	0.0	-64.88	404.50	8.87	-56.01
C[NH+](C)C1(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC2=CC=CC=C2C1	REAL300012619253	0	58	0.0	-55.98	440.83	12.91	-43.07
C[NH+](C)C1(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619254	0	52	0.0	-71.45	377.09	10.23	-61.22
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCCC2)CC2=CC=CC=C2C1	REAL300012619255	0	55	0.0	-54.33	395.78	10.72	-43.61
COCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619256	0	49	0.0	-65.38	373.22	5.62	-59.76
CCCCCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619257	0	57	0.0	-64.26	425.75	9.72	-54.54
CCC1CCC(NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)(C(=O)[O-])CC1	REAL300012619258	0	61	0.0	-74.31	432.05	11.08	-63.23
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC2=CC=CC=C2C1	REAL300012619259	0	56	0.0	-54.84	404.19	9.03	-45.81
CN(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C1(C(=O)[O-])CCCC1	REAL300012619260	0	55	0.0	-72.14	388.09	10.85	-61.29
CC(C(=O)[O-])N(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C1CC1	REAL300012619261	0	52	0.0	-59.59	377.65	10.03	-49.56
CCC(C(=O)[O-])N(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C1CC1	REAL300012619262	0	55	0.0	-59.10	398.42	11.27	-47.83
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC2=CC=CC=C2C1	REAL300012619263	0	52	0.0	-75.13	401.85	9.60	-65.53
C[NH+](C)C1(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619264	0	56	0.0	-60.78	412.60	12.30	-48.48
C[NH+](C)C1(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619265	0	61	0.0	-70.47	441.91	10.56	-59.91
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619266	0	58	0.0	-57.30	426.47	13.24	-44.06
CC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300012619267	0	55	0.0	-69.15	419.17	10.12	-59.03
C[NH+](C)C1(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619268	0	48	0.0	-59.27	377.19	8.10	-51.17
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCSCC2)CC2=CC=CC=C2C1	REAL300012619269	0	53	0.0	-69.84	388.79	9.27	-60.57
COCC(C)(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619270	0	52	0.0	-68.70	383.88	6.98	-61.72
CCOCC(C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619271	0	55	0.0	-63.19	404.50	8.72	-54.47
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619272	0	54	0.0	-57.57	395.31	10.87	-46.70
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CC2)CC2=CC=CC=C2C1	REAL300012619273	0	49	0.0	-66.29	363.44	9.95	-56.34
C[NH+](C)C1(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC2=CC=CC=C2C1	REAL300012619274	0	51	0.0	-57.99	398.78	10.74	-47.25
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCOC2)CC2=CC=CC=C2C1	REAL300012619275	0	50	0.0	-70.66	369.19	6.12	-64.54
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC2=CC=CC=C2C1	REAL300012619276	0	58	0.0	-74.47	417.22	9.84	-64.63
CN(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(COC1CCC1)C(=O)[O-]	REAL300012619277	0	59	0.0	-63.23	431.04	10.03	-53.20
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCOCC2)CC2=CC=CC=C2C1	REAL300012619278	0	53	0.0	-73.72	384.42	7.34	-66.38
C=CCCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619279	0	52	0.0	-64.83	395.81	8.66	-56.17
C[NH+](C)C1(CNC(=O)NC(CF)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619280	0	45	0.0	-55.48	343.29	6.32	-49.16
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619281	0	58	0.0	-52.82	425.70	12.55	-40.27
CC(C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619282	0	48	0.0	-61.83	352.53	8.38	-53.45
CCC(CC)(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619283	0	54	0.0	-65.29	382.03	8.60	-56.69
COC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300012619284	0	56	0.0	-68.89	427.02	8.81	-60.08
CCC(C)N(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619285	0	54	0.0	-52.93	392.75	10.58	-42.35
CCC(COC)(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619286	0	55	0.0	-75.46	400.56	7.89	-67.57
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619287	0	58	0.0	-63.63	424.15	9.38	-54.25
C[NH+](C)C1(CNC(=O)NC(CC2CC2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619288	0	52	0.0	-69.03	392.29	8.91	-60.12
COCCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619289	0	52	0.0	-64.67	394.93	6.46	-58.21
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619290	0	57	0.0	-62.26	410.32	10.70	-51.56
C[NH+](C)C1(CNC(=O)NC(CC(F)F)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619291	0	48	0.0	-65.60	373.85	7.62	-57.98
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619292	0	58	0.0	-72.40	414.65	12.05	-60.35
CCCN(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012619293	0	54	0.0	-64.97	393.90	10.61	-54.36
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619294	0	58	0.0	-32.83	426.19	13.24	-19.59
CCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012619295	0	58	0.0	-73.73	424.35	11.36	-62.37
C[NH+](C)C1(CNC(=O)NC(CCF)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619296	0	48	0.0	-64.31	368.09	7.47	-56.84
COC1(CC(NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C(=O)[O-])CCC1	REAL300012619297	0	59	0.0	-68.71	431.25	8.52	-60.19
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC2=CC=CC=C2C1	REAL300012619298	0	56	0.0	-54.84	404.19	9.03	-45.81
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCCCC2)CC2=CC=CC=C2C1	REAL300012619299	0	58	0.0	-53.99	413.24	11.45	-42.54
C[C@H]1CC[C@@](NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)(C(=O)[O-])CC1	REAL300012619300	0	58	0.0	-73.48	407.16	10.29	-63.19
COC1=CC=CC(C(NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C(=O)[O-])=C1	REAL300012619301	0	56	0.0	-68.24	426.95	8.79	-59.45
C[NH+](C)C1(CNC(=O)NC(C)(CCF)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619302	0	51	0.0	-61.54	372.23	7.84	-53.70
C[NH+](C)C1(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619303	0	53	0.0	-61.74	395.20	10.48	-51.26
C[NH+](C)C1(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619304	0	49	0.0	-67.12	375.06	9.44	-57.68
COC1=CC=CC([C@H](NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C(=O)[O-])=C1	REAL300012619305	0	56	0.0	-72.27	427.14	8.71	-63.56
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619306	0	48	0.0	-60.94	352.61	8.43	-52.51
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC2=CC=CC=C2C1	REAL300012619307	0	61	0.0	-70.66	418.84	10.85	-59.81
C[NH+](C)C1(CNC(=O)N2CC3CC2(C(=O)[O-])C3)CC2=CC=CC=C2C1	REAL300012619308	0	50	0.0	-79.82	369.46	10.17	-69.65
COC1CN(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C(C)(C(=O)[O-])C1	REAL300012619309	0	56	0.0	-77.36	410.59	8.77	-68.59
C[NH+](C)C1(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619310	0	59	0.0	-65.92	428.15	9.37	-56.55
C[NH+](C)C1(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC2=CC=CC=C2C1	REAL300012619311	0	54	0.0	-70.77	392.58	8.51	-62.26
C=C(Cl)CC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619312	0	49	0.0	-60.10	389.73	8.52	-51.58
C=C(C)CC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619313	0	52	0.0	-65.14	394.39	8.70	-56.44
C[NH+](C)C1(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC2=CC=CC=C2C1	REAL300012619314	0	53	0.0	-82.92	382.50	10.69	-72.23
C[NH+](C)C1(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619315	0	49	0.0	-65.44	374.08	9.16	-56.28
C[NH+](C)C1(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619316	0	49	0.0	-81.44	368.85	9.67	-71.77
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C1	REAL300012619317	0	50	0.0	-83.24	376.84	9.65	-73.59
C[NH+](C)C1(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619318	0	59	0.0	-72.27	432.96	8.15	-64.12
CC(C)C[C@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619319	0	54	0.0	-64.38	400.35	8.70	-55.68
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC2=CC=CC=C2C1	REAL300012619320	0	56	0.0	-66.48	408.35	7.80	-58.68
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC2=CC=CC=C2C1	REAL300012619321	0	52	0.0	-73.41	399.02	9.73	-63.68
C[NH+](C)C1(CNC(=O)NC(CC2CC2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619322	0	52	0.0	-69.03	392.29	8.91	-60.12
C[NH+](C)C1(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619323	0	51	0.0	-63.02	406.56	7.54	-55.48
CC(C)CCCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619324	0	60	0.0	-64.22	443.32	10.24	-53.98
C[NH+](C)C1(CNC(=O)NC(CC2CCCO2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619325	0	56	0.0	-69.20	417.70	7.73	-61.47
CSCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619326	0	49	0.0	-61.78	384.96	7.75	-54.03
COC[C@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619327	0	49	0.0	-70.47	372.88	5.57	-64.90
CC[C@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619328	0	48	0.0	-69.21	360.68	7.35	-61.86
C[NH+](C)C1(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619329	0	55	0.0	-69.45	426.37	10.44	-59.01
CCC(C)CC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619330	0	57	0.0	-64.54	418.19	9.35	-55.19
C=CCCCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619331	0	55	0.0	-65.14	417.31	9.44	-55.70
C[NH+](C)C1(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619332	0	55	0.0	-66.10	425.78	10.93	-55.17
C[NH+](C)C1(CNC(=O)N2CCSCC2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619333	0	50	0.0	-74.60	373.11	10.75	-63.85
C[NH+](C)C1(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC2=CC=CC=C2C1	REAL300012619334	0	55	0.0	-66.54	405.46	10.18	-56.36
C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619335	0	49	0.0	-76.12	361.12	8.93	-67.19
CCCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619336	0	51	0.0	-64.33	382.76	8.16	-56.17
CC(C)[C@@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619337	0	51	0.0	-63.45	373.23	7.81	-55.64
C[NH+](C)C1(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619338	0	53	0.0	-75.53	381.49	11.25	-64.28
CCN(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(C)(C)C(=O)[O-]	REAL300012619339	0	54	0.0	-67.67	386.18	10.08	-57.59
CCCN(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012619340	0	54	0.0	-64.97	393.90	10.61	-54.36
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC2=CC=CC=C2C1	REAL300012619341	0	48	0.0	-63.88	372.05	10.03	-53.85
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC2=CC=CC=C2C1	REAL300012619342	0	48	0.0	-63.88	372.05	10.03	-53.85
CN(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(C)(C)C(=O)[O-]	REAL300012619343	0	51	0.0	-67.94	366.64	9.24	-58.70
C[NH+](C)C1(CNC(=O)N2CCC[C@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619344	0	49	0.0	-70.53	361.05	8.99	-61.54
C[NH+](C)C1(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619345	0	50	0.0	-78.63	374.63	5.91	-72.72
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619346	0	56	0.0	-71.95	411.03	13.35	-58.60
CCC[C@@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619347	0	51	0.0	-63.57	383.04	8.22	-55.35
C[NH+](C)C1(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC2=CC=CC=C2C1	REAL300012619348	0	52	0.0	-65.42	397.45	9.50	-55.92
C[NH+](C)C1(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619349	0	57	0.0	-69.66	437.52	9.81	-59.85
C=CCCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619350	0	52	0.0	-64.83	395.81	8.66	-56.17
C[NH+](C)C1(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619351	0	51	0.0	-70.10	406.18	7.81	-62.29
C[NH+](C)C1(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619352	0	52	0.0	-84.35	390.08	6.55	-77.80
CN1CC(C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)CC1=O	REAL300012619353	0	53	0.0	-65.09	387.30	8.70	-56.39
C[NH+](C)C1(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619354	0	52	0.0	-71.53	377.05	10.25	-61.28
CC(C)[C@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619355	0	51	0.0	-70.14	374.20	7.67	-62.47
C[NH+](C)C1(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC2=CC=CC=C2C1	REAL300012619356	0	52	0.0	-69.17	397.92	9.46	-59.71
C[NH+](C)C1(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619357	0	55	0.0	-73.40	409.11	9.05	-64.35
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619358	0	48	0.0	-60.94	352.61	8.43	-52.51
CCC[C@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619359	0	51	0.0	-69.84	383.01	8.11	-61.73
CCN(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300012619360	0	51	0.0	-62.15	368.70	9.06	-53.09
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCCC2)CC2=CC=CC=C2C1	REAL300012619361	0	55	0.0	-54.33	395.78	10.72	-43.61
CC(CN(C)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619362	0	51	0.0	-74.98	373.79	9.08	-65.90
CC[C@H](C)[C@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619363	0	54	0.0	-68.23	392.47	8.75	-59.48
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619364	0	51	0.0	-61.48	373.20	9.56	-51.92
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC2=CC=CC=C2C1	REAL300012619365	0	53	0.0	-79.15	395.15	5.52	-73.63
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619366	0	61	0.0	-70.45	441.95	8.51	-61.94
CC1CCC(NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012619367	0	55	0.0	-70.17	396.28	9.50	-60.67
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC2=CC=CC=C2C1	REAL300012619368	0	58	0.0	-67.68	405.46	9.71	-57.97
COCCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619369	0	52	0.0	-64.67	394.93	6.46	-58.21
CN(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012619370	0	58	0.0	-71.99	430.46	12.30	-59.69
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC2=CC=CC=C2C1	REAL300012619371	0	55	0.0	-75.47	401.03	10.04	-65.43
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2(C)CC2)CC2=CC=CC=C2C1	REAL300012619372	0	52	0.0	-66.75	390.12	8.44	-58.31
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619373	0	61	0.0	-65.18	445.28	8.68	-56.50
C[NH+](C)C1(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619374	0	50	0.0	-77.70	370.68	6.18	-71.52
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCOC2)CC2=CC=CC=C2C1	REAL300012619375	0	53	0.0	-68.52	393.75	6.40	-62.12
C[NH+](C)C1(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619376	0	53	0.0	-74.90	382.36	10.84	-64.06
C[NH+](C)C1(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC2=CC=CC=C2C1	REAL300012619377	0	51	0.0	-74.51	374.65	8.14	-66.37
CC1CCC(C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C1	REAL300012619378	0	55	0.0	-77.55	394.35	11.41	-66.14
CC(C1=CC=CC=C1)C(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619379	0	58	0.0	-69.00	434.82	10.67	-58.33
C[NH+](C)C1(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619380	0	59	0.0	-69.53	433.35	10.49	-59.04
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCC2)CC2=CC=CC=C2C1	REAL300012619381	0	52	0.0	-64.76	388.34	8.42	-56.34
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC2=CC=CC=C2C1	REAL300012619382	0	58	0.0	-74.47	417.22	9.84	-64.63
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCC2)CC2=CC=CC=C2C1	REAL300012619383	0	52	0.0	-64.76	388.34	8.42	-56.34
CC1CCN(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C1C(=O)[O-]	REAL300012619384	0	52	0.0	-77.18	382.83	10.12	-67.06
C=CCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619385	0	49	0.0	-64.12	374.53	7.85	-56.27
C[NH+](C)C1(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619386	0	59	0.0	-66.78	434.96	8.54	-58.24
C[NH+](C)C1(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC2=CC=CC=C2C1	REAL300012619387	0	59	0.0	-53.73	407.64	11.38	-42.35
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC2=CC=CC=C2C1	REAL300012619388	0	59	0.0	-70.05	411.47	8.79	-61.26
C[NH+](C)C1(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619389	0	53	0.0	-37.02	382.97	10.25	-26.77
C[NH+](C)C1(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619390	0	59	0.0	-69.53	433.35	10.49	-59.04
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619391	0	55	0.0	-69.03	426.34	10.41	-58.62
COC1CC(NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012619392	0	53	0.0	-67.69	394.65	7.74	-59.95
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC2=CC=CC=C2C1	REAL300012619393	0	49	0.0	-68.15	371.28	8.10	-60.05
CO[C@H]1C[C@](NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)(C(=O)[O-])C1	REAL300012619394	0	53	0.0	-70.14	394.83	7.33	-62.81
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC2=CC=CC=C2C1	REAL300012619395	0	52	0.0	-63.83	402.48	8.75	-55.08
CCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619396	0	55	0.0	-73.68	393.41	11.51	-62.17
C[NH+](C)C1(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619397	0	48	0.0	-59.27	377.19	8.10	-51.17
C[NH+](C)C1(CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619398	0	56	0.0	-68.83	413.18	7.07	-61.76
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])COC2)CC2=CC=CC=C2C1	REAL300012619399	0	47	0.0	-63.61	353.59	5.18	-58.43
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619400	0	52	0.0	-68.46	412.21	9.38	-59.08
CC(C)C(C)(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619401	0	54	0.0	-65.30	382.37	8.39	-56.91
C[NH+](C)C1(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619402	0	50	0.0	-74.23	367.25	10.84	-63.39
C[NH+](C)C1(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619403	0	53	0.0	-77.79	383.79	10.04	-67.75
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619404	0	58	0.0	-32.83	426.19	13.24	-19.59
C[NH+](C)C1(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619405	0	61	0.0	-70.47	441.91	10.56	-59.91
C[NH+](C)C1(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619406	0	58	0.0	-70.61	443.19	11.18	-59.43
C[NH+](C)C1(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619407	0	58	0.0	-65.79	442.67	11.19	-54.60
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC2=CC=CC=C2C1	REAL300012619408	0	59	0.0	-65.17	421.96	10.01	-55.16
C[NH+](C)C1(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619409	0	61	0.0	-71.06	441.72	10.62	-60.44
C[NH+](C)C1(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619410	0	61	0.0	-67.32	440.74	11.00	-56.32
C[NH+](C)C1(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619411	0	59	0.0	-36.78	422.12	11.19	-25.59
C[NH+](C)C1(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619412	0	59	0.0	-74.31	418.49	11.38	-62.93
C=CCSCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619413	0	53	0.0	-62.42	419.47	9.13	-53.29
CCC(C(=O)[O-])N(CC)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619414	0	54	0.0	-62.84	385.71	10.02	-52.82
COC1(C(NC(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C(=O)[O-])CCC1	REAL300012619415	0	56	0.0	-65.46	408.91	7.04	-58.42
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC2=CC=CC=C2C1	REAL300012619416	0	52	0.0	-70.68	394.72	9.07	-61.61
C[NH+](C)C1(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619418	0	49	0.0	-81.44	368.85	9.67	-71.77
C[NH+](C)C1(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619419	0	51	0.0	-59.22	371.45	10.28	-48.94
C[NH+](C)C1(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619420	0	55	0.0	-76.97	394.60	10.50	-66.47
C[NH+](C)C1(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619421	0	59	0.0	-71.91	416.69	12.35	-59.56
CC(C)CCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619422	0	57	0.0	-65.08	422.06	9.39	-55.69
C[NH+](C)C1(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619423	0	56	0.0	-54.34	406.95	11.19	-43.15
C[NH+](C)C1(CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619424	0	56	0.0	-68.83	413.18	7.07	-61.76
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C1	REAL300012619425	0	53	0.0	-69.45	403.25	10.87	-58.58
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC2=CC=CC=C2C1	REAL300012619426	0	56	0.0	-76.02	396.82	10.23	-65.79
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCC3CC32)CC2=CC=CC=C2C1	REAL300012619427	0	53	0.0	-68.91	384.04	9.32	-59.59
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC2=CC=CC=C2C1	REAL300012619428	0	56	0.0	-73.82	407.19	9.97	-63.85
CN(C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012619429	0	58	0.0	-71.39	430.62	12.43	-58.96
C[NH+](C)C1(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC2=CC=CC=C2C1	REAL300012619430	0	62	0.0	-59.23	432.26	11.83	-47.40
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCC2)CC2=CC=CC=C2C1	REAL300012619431	0	55	0.0	-73.55	399.69	9.16	-64.39
CO[C@H](C)[C@H](NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619432	0	52	0.0	-69.83	391.30	6.64	-63.19
CC1[C@@H](C)[C@@]1(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619433	0	52	0.0	-68.49	375.63	9.04	-59.45
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC2=CC=CC=C2C1	REAL300012619434	0	55	0.0	-54.34	418.43	12.14	-42.20
C[NH+](C)C1(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619435	0	55	0.0	-59.47	395.92	10.18	-49.29
C[NH+](C)C1(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619436	0	52	0.0	-73.86	384.01	10.65	-63.21
C[NH+](C)C1(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619437	0	49	0.0	-78.87	373.91	9.67	-69.20
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619438	0	55	0.0	-69.03	426.34	10.41	-58.62
C[NH+](C)C1(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619439	0	52	0.0	-67.69	410.48	9.71	-57.98
C[NH+](C)C1(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619440	0	52	0.0	-69.69	391.43	10.21	-59.48
C[NH+](C)C1(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619441	0	52	0.0	-67.69	410.48	9.71	-57.98
C[NH+](C)C1(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619442	0	56	0.0	-73.98	397.64	10.84	-63.14
COCCCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619443	0	55	0.0	-64.55	416.67	7.16	-57.39
CCCC(C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619444	0	54	0.0	-62.43	393.97	10.13	-52.30
CCOCC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300012619445	0	52	0.0	-66.23	395.21	6.55	-59.68
C[NH+](C)C1(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619446	0	57	0.0	-70.94	412.35	9.72	-61.22
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCCO2)CC2=CC=CC=C2C1	REAL300012619447	0	56	0.0	-70.28	413.04	8.33	-61.95
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC2=CC=CC=C2C1	REAL300012619448	0	56	0.0	-69.55	416.73	11.17	-58.38
C[C@H]1OCCN(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)[C@@H]1C(=O)[O-]	REAL300012619449	0	53	0.0	-75.70	382.58	8.92	-66.78
C[NH+](C)C1(CNC(=O)NC(CCC#N)C(=O)[O-])CC2=CC=CC=C2C1	REAL300012619450	0	49	0.0	-67.34	382.36	7.83	-59.51
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC2=CC=CC=C2C1	REAL300012619451	0	52	0.0	-55.16	400.10	10.30	-44.86
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300012619452	0	48	0.0	-61.18	352.32	8.35	-52.83
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C1	REAL300012619453	0	56	0.0	-68.93	415.41	9.53	-59.40
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(O)C(F)=C2)CC1	REAL300012619582	0	51	0.0	-66.62	408.43	4.64	-61.98
CC1=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])SC=N1	REAL300012619829	0	52	0.0	-60.19	411.45	5.70	-54.49
CC1=C(C)SC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012620378	0	55	0.0	-60.55	432.95	6.38	-54.17
C=CCOCC(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620799	0	49	0.0	-78.59	376.92	5.04	-73.55
C=CCOCC(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620799	1	49	0.0	-79.86	384.67	5.41	-74.45
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012620800	0	52	0.0	-78.42	380.45	5.23	-73.19
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012620800	1	52	0.0	-80.24	381.96	5.50	-74.74
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012620801	0	48	0.0	-75.45	379.30	7.40	-68.05
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012620801	1	48	0.0	-75.45	379.29	7.39	-68.06
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012620802	0	48	0.0	-75.40	389.19	7.83	-67.57
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012620802	1	48	0.0	-75.41	389.18	7.83	-67.58
COC1CCN(C(=O)NCCC2CCC[N@H+](C)C2)C(C(=O)[O-])C1	REAL300012620803	0	52	0.0	-89.80	371.15	7.48	-82.32
COC1CCN(C(=O)NCCC2CCC[N@@H+](C)C2)C(C(=O)[O-])C1	REAL300012620803	1	52	0.0	-88.86	370.68	7.30	-81.56
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012620804	0	52	0.0	-76.60	374.35	5.10	-71.50
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012620804	1	52	0.0	-75.77	381.95	5.53	-70.24
CC1CCN(C(=O)NCCC2CCC[N@H+](C)C2)C(C(=O)[O-])C1	REAL300012620805	0	51	0.0	-89.21	354.66	8.72	-80.49
CC1CCN(C(=O)NCCC2CCC[N@@H+](C)C2)C(C(=O)[O-])C1	REAL300012620805	1	51	0.0	-88.04	354.19	8.53	-79.51
CC1=CC(C(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])=CC=C1F	REAL300012620806	0	51	0.0	-76.32	393.31	7.97	-68.35
CC1=CC(C(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])=CC=C1F	REAL300012620806	1	51	0.0	-76.27	393.32	7.96	-68.31
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012620807	0	53	0.0	-78.51	402.51	7.12	-71.39
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012620807	1	53	0.0	-78.78	402.26	7.19	-71.59
CC1=CC(C)=CC(C(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300012620808	0	54	0.0	-80.81	409.44	8.59	-72.22
CC1=CC(C)=CC(C(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300012620808	1	54	0.0	-80.57	409.15	8.67	-71.90
CC1=CC=C(C(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1C	REAL300012620809	0	54	0.0	-80.59	404.77	8.56	-72.03
CC1=CC=C(C(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])C=C1C	REAL300012620809	1	54	0.0	-80.15	405.01	8.47	-71.68
COC1=CC=C(C(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])C=C1Cl	REAL300012620810	0	52	0.0	-79.09	412.14	7.12	-71.97
COC1=CC=C(C(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1Cl	REAL300012620810	1	52	0.0	-79.09	412.10	7.12	-71.97
CC1=CC=CC(C(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])=C1C	REAL300012620811	0	54	0.0	-72.76	400.46	8.63	-64.13
CC1=CC=CC(C(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])=C1C	REAL300012620811	1	54	0.0	-72.45	400.45	8.63	-63.82
COC1=CC=C(C(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])C=C1F	REAL300012620812	0	52	0.0	-79.60	402.09	6.71	-72.89
COC1=CC=C(C(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1F	REAL300012620812	1	52	0.0	-79.63	402.05	6.71	-72.92
CC(C(=O)[O-])N(C(=O)NCCC1CCC[N@H+](C)C1)C1CCC1	REAL300012620813	0	51	0.0	-59.64	358.33	8.95	-50.69
CC(C(=O)[O-])N(C(=O)NCCC1CCC[N@@H+](C)C1)C1CCC1	REAL300012620813	1	51	0.0	-61.25	358.23	8.90	-52.35
CCCN(C(=O)NCCC1CCC[N@H+](C)C1)C(COC)C(=O)[O-]	REAL300012620814	0	54	0.0	-76.53	388.35	7.44	-69.09
CCCN(C(=O)NCCC1CCC[N@@H+](C)C1)C(COC)C(=O)[O-]	REAL300012620814	1	54	0.0	-79.83	392.47	8.65	-71.18
CCCN(C(=O)NCCC1CCC[N@H+](C)C1)C(CC)C(=O)[O-]	REAL300012620815	0	53	0.0	-73.84	384.26	9.16	-64.68
CCCN(C(=O)NCCC1CCC[N@@H+](C)C1)C(CC)C(=O)[O-]	REAL300012620815	1	53	0.0	-75.64	375.26	8.62	-67.02
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012620816	0	48	0.0	-75.00	383.11	7.87	-67.13
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012620816	1	48	0.0	-74.96	390.72	8.30	-66.66
C[N@@H+]1CCCC(CCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012620817	0	46	0.0	-85.09	340.10	8.12	-76.97
C[N@H+]1CCCC(CCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012620817	1	46	0.0	-86.18	340.89	8.38	-77.80
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012620818	0	51	0.0	-80.68	367.59	7.84	-72.84
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012620818	1	51	0.0	-81.78	367.58	7.84	-73.94
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012620819	0	54	0.0	-83.27	366.21	7.77	-75.50
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012620819	1	54	0.0	-82.54	369.69	7.97	-74.57
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012620820	0	51	0.0	-79.12	388.82	8.20	-70.92
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012620820	1	51	0.0	-78.75	396.24	8.71	-70.04
C[N@@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012620821	0	51	0.0	-63.77	381.24	9.71	-54.06
C[N@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012620821	1	51	0.0	-64.54	387.30	10.00	-54.54
C[N@@H+]1CCCC(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012620822	0	48	0.0	-80.00	366.62	7.28	-72.72
C[N@H+]1CCCC(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012620822	1	48	0.0	-78.87	366.34	7.34	-71.53
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012620823	0	48	0.0	-79.99	366.59	7.26	-72.73
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012620823	1	48	0.0	-78.89	373.99	7.78	-71.11
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012620824	0	51	0.0	-79.12	388.82	8.20	-70.92
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012620824	1	51	0.0	-78.75	396.24	8.71	-70.04
C[N@@H+]1CCCC(CCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012620825	0	52	0.0	-88.29	378.24	10.29	-78.00
C[N@H+]1CCCC(CCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012620825	1	52	0.0	-85.62	380.15	10.11	-75.51
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012620826	0	45	0.0	-77.72	357.98	6.42	-71.30
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012620826	1	45	0.0	-76.92	357.97	6.42	-70.50
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012620827	0	51	0.0	-80.68	367.59	7.84	-72.84
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012620827	1	51	0.0	-81.78	367.58	7.84	-73.94
C[N@@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012620828	0	51	0.0	-61.70	398.02	10.23	-51.47
C[N@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012620828	1	51	0.0	-61.95	404.03	10.52	-51.43
C[N@@H+]1CCCC(CCNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012620829	0	55	0.0	-80.23	417.73	8.34	-71.89
C[N@H+]1CCCC(CCNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012620829	1	55	0.0	-80.84	417.05	8.30	-72.54
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCCC2CCC[N@H+](C)C2)=C1	REAL300012620830	0	59	0.0	-68.38	446.34	8.61	-59.77
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCCC2CCC[N@@H+](C)C2)=C1	REAL300012620830	1	59	0.0	-67.74	440.31	8.32	-59.42
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300012620831	0	48	0.0	-74.88	387.67	7.97	-66.91
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300012620831	1	48	0.0	-74.84	395.29	8.41	-66.43
C[N@@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012620832	0	51	0.0	-62.16	387.68	9.78	-52.38
C[N@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012620832	1	51	0.0	-62.11	393.71	10.07	-52.04
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012620833	0	52	0.0	-82.51	386.07	8.52	-73.99
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012620833	1	52	0.0	-81.57	386.06	8.52	-73.05
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012620834	0	48	0.0	-79.28	377.43	7.43	-71.85
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012620834	1	48	0.0	-80.07	377.42	7.42	-72.65
C[N@@H+]1CCCC(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012620835	0	51	0.0	-79.87	374.39	8.04	-71.83
C[N@H+]1CCCC(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012620835	1	51	0.0	-79.06	382.01	8.48	-70.58
CCCCCCC(C)(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620836	0	59	0.0	-78.19	428.18	9.10	-69.09
CCCCCCC(C)(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620836	1	59	0.0	-78.01	420.59	8.65	-69.36
CN(C(=O)NCCC1CCC[N@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012620837	0	54	0.0	-76.77	399.47	10.17	-66.60
CN(C(=O)NCCC1CCC[N@@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012620837	1	54	0.0	-77.52	399.48	10.17	-67.35
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012620838	0	48	0.0	-75.00	383.11	7.87	-67.13
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012620838	1	48	0.0	-74.96	390.72	8.30	-66.66
CN(C(=O)NCCC1CCC[N@H+](C)C1)C1(C(=O)[O-])CCCCC1	REAL300012620839	0	54	0.0	-84.02	369.21	8.72	-75.30
CN(C(=O)NCCC1CCC[N@@H+](C)C1)C1(C(=O)[O-])CCCCC1	REAL300012620839	1	54	0.0	-82.86	369.22	8.73	-74.13
C[N@@H+]1CCCC(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012620840	0	54	0.0	-66.48	409.77	10.78	-55.70
C[N@H+]1CCCC(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012620840	1	54	0.0	-64.49	417.39	11.23	-53.26
CN(C(=O)NCCC1CCC[N@H+](C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012620841	0	51	0.0	-75.60	381.63	9.27	-66.33
CN(C(=O)NCCC1CCC[N@@H+](C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012620841	1	51	0.0	-75.83	374.25	8.92	-66.91
COCCN(CC(=O)[O-])C(=O)NCCC1CCC[N@H+](C)C1	REAL300012620842	0	48	0.0	-64.09	367.36	6.62	-57.47
COCCN(CC(=O)[O-])C(=O)NCCC1CCC[N@@H+](C)C1	REAL300012620842	1	48	0.0	-66.77	359.75	6.53	-60.24
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012620843	0	52	0.0	-84.27	381.15	8.34	-75.93
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012620843	1	52	0.0	-83.47	388.90	8.76	-74.71
C[N@@H+]1CCCC(CCNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012620844	0	55	0.0	-86.62	422.76	8.14	-78.48
C[N@H+]1CCCC(CCNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012620844	1	55	0.0	-85.85	422.76	8.15	-77.70
C[N@@H+]1CCCC(CCNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012620845	0	51	0.0	-86.86	353.29	8.66	-78.20
C[N@H+]1CCCC(CCNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012620845	1	51	0.0	-87.04	353.16	8.72	-78.32
C[N@@H+]1CCCC(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012620846	0	54	0.0	-66.48	409.77	10.78	-55.70
C[N@H+]1CCCC(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012620846	1	54	0.0	-64.49	417.39	11.23	-53.26
C[N@@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012620847	0	51	0.0	-63.46	364.70	8.58	-54.88
C[N@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012620847	1	51	0.0	-62.74	372.34	9.01	-53.73
CCCCCC(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620848	0	53	0.0	-77.22	402.55	7.96	-69.26
CCCCCC(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620848	1	53	0.0	-77.14	394.94	7.52	-69.62
CCC1CCC(NC(=O)NCCC2CCC[N@H+](C)C2)(C(=O)[O-])CC1	REAL300012620849	0	57	0.0	-81.43	399.01	8.66	-72.77
CCC1CCC(NC(=O)NCCC2CCC[N@@H+](C)C2)(C(=O)[O-])CC1	REAL300012620849	1	57	0.0	-82.44	399.03	8.66	-73.78
C[N@@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012620850	0	52	0.0	-65.21	373.15	6.90	-58.31
C[N@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012620850	1	52	0.0	-63.22	380.80	7.34	-55.88
CN(C(=O)NCCC1CCC[N@H+](C)C1)C1(C(=O)[O-])CCCC1	REAL300012620851	0	51	0.0	-85.22	355.98	8.02	-77.20
CN(C(=O)NCCC1CCC[N@@H+](C)C1)C1(C(=O)[O-])CCCC1	REAL300012620851	1	51	0.0	-84.38	363.67	8.48	-75.90
CCC(C(=O)[O-])N(C(=O)NCCC1CCC[N@H+](C)C1)C1CC1	REAL300012620852	0	51	0.0	-77.24	362.21	8.64	-68.60
CCC(C(=O)[O-])N(C(=O)NCCC1CCC[N@@H+](C)C1)C1CC1	REAL300012620852	1	51	0.0	-77.44	362.02	8.78	-68.66
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012620853	0	48	0.0	-80.18	376.79	7.70	-72.48
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012620853	1	48	0.0	-80.45	379.19	7.72	-72.73
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012620854	0	48	0.0	-83.82	370.25	7.38	-76.44
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012620854	1	48	0.0	-84.37	371.05	7.35	-77.02
C[N@@H+]1CCCC(CCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012620855	0	52	0.0	-68.29	381.90	9.59	-58.70
C[N@H+]1CCCC(CCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012620855	1	52	0.0	-68.27	381.92	9.59	-58.68
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012620856	0	51	0.0	-81.81	403.28	8.52	-73.29
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012620856	1	51	0.0	-76.59	402.18	8.28	-68.31
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012620857	0	57	0.0	-83.30	432.30	10.33	-72.97
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012620857	1	57	0.0	-83.16	432.28	10.27	-72.89
C[N@@H+]1CCCC(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012620858	0	57	0.0	-78.94	410.82	8.39	-70.55
C[N@H+]1CCCC(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012620858	1	57	0.0	-77.20	418.38	8.84	-68.36
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC1CCC[N@H+](C)C1	REAL300012620859	0	54	0.0	-63.22	403.03	11.08	-52.14
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC1CCC[N@@H+](C)C1	REAL300012620859	1	54	0.0	-65.33	399.23	10.89	-54.44
CC1=CC=C(C(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300012620860	0	51	0.0	-79.30	387.99	7.94	-71.36
CC1=CC=C(C(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300012620860	1	51	0.0	-79.30	395.64	8.38	-70.92
C[N@@H+]1CCCC(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012620861	0	44	0.0	-70.62	353.76	6.40	-64.22
C[N@H+]1CCCC(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012620861	1	44	0.0	-71.32	353.74	6.40	-64.92
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012620862	0	54	0.0	-81.49	412.60	9.54	-71.95
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012620862	1	54	0.0	-80.45	412.33	9.60	-70.85
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012620863	0	49	0.0	-76.42	365.28	7.50	-68.92
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012620863	1	49	0.0	-77.36	357.64	7.06	-70.30
COCC(C)(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620864	0	48	0.0	-81.92	360.43	5.29	-76.63
COCC(C)(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620864	1	48	0.0	-81.72	352.84	4.85	-76.87
CCOCC(C(=O)[O-])N(C)C(=O)NCCC1CCC[N@H+](C)C1	REAL300012620865	0	51	0.0	-74.20	380.44	6.94	-67.26
CCOCC(C(=O)[O-])N(C)C(=O)NCCC1CCC[N@@H+](C)C1	REAL300012620865	1	51	0.0	-75.00	372.60	6.57	-68.43
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC1CCC[N@H+](C)C1	REAL300012620866	0	57	0.0	-60.83	410.15	10.71	-50.12
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC1CCC[N@@H+](C)C1	REAL300012620866	1	57	0.0	-62.00	408.10	10.55	-51.45
C[N@@H+]1CCCC(CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012620867	0	47	0.0	-64.82	368.00	8.14	-56.68
C[N@H+]1CCCC(CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012620867	1	47	0.0	-62.72	375.62	8.59	-54.13
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012620868	0	54	0.0	-79.79	389.10	7.64	-72.15
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012620868	1	54	0.0	-76.30	393.86	8.04	-68.26
CN(C(=O)NCCC1CCC[N@H+](C)C1)C(COC1CCC1)C(=O)[O-]	REAL300012620869	0	55	0.0	-74.42	407.35	8.40	-66.02
CN(C(=O)NCCC1CCC[N@@H+](C)C1)C(COC1CCC1)C(=O)[O-]	REAL300012620869	1	55	0.0	-75.33	399.75	7.97	-67.36
C[N@@H+]1CCCC(CCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012620870	0	55	0.0	-87.39	405.79	11.21	-76.18
C[N@H+]1CCCC(CCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012620870	1	55	0.0	-86.93	412.14	11.80	-75.13
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012620871	0	49	0.0	-79.56	359.01	5.37	-74.19
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012620871	1	49	0.0	-81.42	351.37	4.92	-76.50
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CCC[N@H+](C)C1	REAL300012620872	0	54	0.0	-82.30	396.53	10.89	-71.41
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CCC[N@@H+](C)C1	REAL300012620872	1	54	0.0	-80.24	396.98	10.94	-69.30
COC1=CC=C(C(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300012620873	0	52	0.0	-78.44	403.49	7.08	-71.36
COC1=CC=C(C(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300012620873	1	52	0.0	-78.33	396.12	6.55	-71.78
CCC(COC)(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620874	0	51	0.0	-82.26	377.11	6.20	-76.06
CCC(COC)(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620874	1	51	0.0	-84.17	369.26	5.77	-78.40
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC1CCC[N@H+](C)C1	REAL300012620875	0	54	0.0	-74.60	401.32	7.79	-66.81
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC1CCC[N@@H+](C)C1	REAL300012620875	1	54	0.0	-75.62	392.87	7.32	-68.30
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012620876	0	51	0.0	-83.00	376.48	3.42	-79.58
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012620876	1	51	0.0	-81.91	376.46	3.41	-78.50
COCCC(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620877	0	48	0.0	-77.25	371.73	4.70	-72.55
COCCC(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620877	1	48	0.0	-77.16	364.12	4.26	-72.90
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC1CCC[N@H+](C)C1	REAL300012620878	0	53	0.0	-75.06	379.68	8.60	-66.46
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC1CCC[N@@H+](C)C1	REAL300012620878	1	53	0.0	-74.44	381.26	8.75	-65.69
C[N@@H+]1CCCC(CCNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012620879	0	44	0.0	-72.27	340.82	5.79	-66.48
C[N@H+]1CCCC(CCNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012620879	1	44	0.0	-72.32	348.43	6.22	-66.10
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC1CCC[N@H+](C)C1	REAL300012620880	0	54	0.0	-87.40	380.97	9.60	-77.80
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC1CCC[N@@H+](C)C1	REAL300012620880	1	54	0.0	-86.52	383.95	9.69	-76.83
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CCC[N@H+](C)C1	REAL300012620881	0	54	0.0	-60.40	403.88	11.52	-48.88
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CCC[N@@H+](C)C1	REAL300012620881	1	54	0.0	-60.36	397.49	11.02	-49.34
CCC(NC(=O)NCCC1CCC[N@H+](C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012620882	0	54	0.0	-76.40	415.65	9.87	-66.53
CCC(NC(=O)NCCC1CCC[N@@H+](C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012620882	1	54	0.0	-77.28	408.03	9.44	-67.84
CCC(NC(=O)NCCC1CCC[N@H+](C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012620883	0	54	0.0	-79.97	398.91	9.35	-70.62
CCC(NC(=O)NCCC1CCC[N@@H+](C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012620883	1	54	0.0	-81.74	391.40	8.95	-72.79
COC1CCCC(C(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])C1	REAL300012620884	0	58	0.0	-82.76	421.55	6.64	-76.12
COC1CCCC(C(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])C1	REAL300012620884	1	58	0.0	-82.79	421.55	6.65	-76.14
COC1(CC(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])CCC1	REAL300012620885	0	55	0.0	-80.18	400.84	6.55	-73.63
COC1(CC(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])CCC1	REAL300012620885	1	55	0.0	-79.41	400.85	6.55	-72.86
C[N@@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012620886	0	52	0.0	-65.21	373.15	6.90	-58.31
C[N@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012620886	1	52	0.0	-63.22	380.80	7.34	-55.88
C[N@@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012620887	0	54	0.0	-65.15	382.10	9.28	-55.87
C[N@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012620887	1	54	0.0	-63.16	389.72	9.72	-53.44
C[C@H]1CC[C@@](NC(=O)NCCC2CCC[N@H+](C)C2)(C(=O)[O-])CC1	REAL300012620888	0	54	0.0	-80.93	381.39	8.22	-72.71
C[C@H]1CC[C@@](NC(=O)NCCC2CCC[N@@H+](C)C2)(C(=O)[O-])CC1	REAL300012620888	1	54	0.0	-81.79	373.77	7.78	-74.01
COC1=CC=CC(C(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300012620889	0	52	0.0	-81.20	395.85	6.63	-74.57
COC1=CC=CC(C(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300012620889	1	52	0.0	-81.25	395.85	6.64	-74.61
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300012620890	0	48	0.0	-79.34	380.20	7.75	-71.59
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300012620890	1	48	0.0	-79.56	382.41	7.79	-71.77
C[N@@H+]1CCCC(CCNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012620891	0	47	0.0	-74.31	341.17	5.72	-68.59
C[N@H+]1CCCC(CCNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012620891	1	47	0.0	-74.41	348.78	6.15	-68.26
C[N@@H+]1CCCC(CCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012620892	0	49	0.0	-68.04	364.13	7.87	-60.17
C[N@H+]1CCCC(CCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012620892	1	49	0.0	-69.26	363.35	7.73	-61.53
C[N@@H+]1CCCC(CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012620893	0	45	0.0	-76.39	350.58	7.39	-69.00
C[N@H+]1CCCC(CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012620893	1	45	0.0	-77.21	350.58	7.39	-69.82
COC1=CC=CC([C@H](NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300012620894	0	52	0.0	-80.70	403.69	6.99	-73.71
COC1=CC=CC([C@H](NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300012620894	1	52	0.0	-81.01	395.47	6.59	-74.42
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC2CCC[N@H+](C)C2)C1	REAL300012620895	0	54	0.0	-79.29	396.29	8.06	-71.23
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC2CCC[N@@H+](C)C2)C1	REAL300012620895	1	54	0.0	-79.33	396.26	8.06	-71.27
COC1=CC=CC(CC(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300012620896	0	55	0.0	-82.35	425.99	7.95	-74.40
COC1=CC=CC(CC(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300012620896	1	55	0.0	-82.79	418.08	7.57	-75.22
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012620897	0	57	0.0	-81.93	395.51	8.73	-73.20
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012620897	1	57	0.0	-82.91	387.86	8.28	-74.63
C[N@@H+]1CCCC(CCNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012620898	0	54	0.0	-76.93	408.67	8.92	-68.01
C[N@H+]1CCCC(CCNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012620898	1	54	0.0	-76.08	416.35	9.36	-66.72
C[N@@H+]1CCCC(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012620899	0	53	0.0	-83.43	402.62	8.72	-74.71
C[N@H+]1CCCC(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012620899	1	53	0.0	-82.66	402.62	8.71	-73.95
COC1CN(C(=O)NCCC2CCC[N@H+](C)C2)C(C)(C(=O)[O-])C1	REAL300012620900	0	52	0.0	-84.63	379.51	6.64	-77.99
COC1CN(C(=O)NCCC2CCC[N@@H+](C)C2)C(C)(C(=O)[O-])C1	REAL300012620900	1	52	0.0	-83.50	379.51	6.65	-76.85
C[N@@H+]1CCCC(CCNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012620901	0	55	0.0	-77.12	397.42	6.78	-70.34
C[N@H+]1CCCC(CCNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012620901	1	55	0.0	-76.78	405.26	7.15	-69.63
C=C(Cl)CC(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620902	0	45	0.0	-77.79	359.70	6.25	-71.54
C=C(Cl)CC(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620902	1	45	0.0	-73.25	366.29	6.81	-66.44
C[N@@H+]1CCCC(CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012620903	0	49	0.0	-92.15	351.44	8.52	-83.63
C[N@H+]1CCCC(CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012620903	1	49	0.0	-89.02	356.92	9.01	-80.01
C[N@@H+]1CCCC(CCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012620904	0	54	0.0	-77.49	398.35	8.47	-69.02
C[N@H+]1CCCC(CCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012620904	1	54	0.0	-76.64	406.02	8.91	-67.73
C[N@@H+]1CCCC(CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012620905	0	45	0.0	-76.83	342.17	7.26	-69.57
C[N@H+]1CCCC(CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012620905	1	45	0.0	-76.01	349.80	7.72	-68.29
C[N@@H+]1CCCC(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012620906	0	45	0.0	-81.19	343.33	7.63	-73.56
C[N@H+]1CCCC(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012620906	1	45	0.0	-82.42	336.45	6.92	-75.50
C[N@@H+]1CCCC(CCNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012620907	0	55	0.0	-78.19	397.70	6.67	-71.52
C[N@H+]1CCCC(CCNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012620907	1	55	0.0	-77.01	405.06	7.17	-69.84
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012620908	0	52	0.0	-78.42	380.45	5.23	-73.19
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012620908	1	52	0.0	-80.24	381.96	5.50	-74.74
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012620909	0	48	0.0	-79.99	366.59	7.26	-72.73
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012620909	1	48	0.0	-78.89	373.99	7.78	-71.11
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300012620910	0	51	0.0	-77.81	405.66	8.27	-69.54
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300012620910	1	51	0.0	-77.82	405.65	8.28	-69.54
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012620911	0	47	0.0	-78.28	375.37	5.41	-72.87
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012620911	1	47	0.0	-77.92	383.22	5.78	-72.14
CC(C)CCCC(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620912	0	56	0.0	-77.25	420.12	8.48	-68.77
CC(C)CCCC(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620912	1	56	0.0	-76.82	412.26	8.10	-68.72
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012620913	0	54	0.0	-77.97	418.50	8.67	-69.30
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012620913	1	54	0.0	-82.00	418.09	8.73	-73.27
C[N@@H+]1CCCC(CCNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012620914	0	52	0.0	-78.39	384.34	6.12	-72.27
C[N@H+]1CCCC(CCNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012620914	1	52	0.0	-81.70	386.38	5.63	-76.07
CSCC(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620915	0	45	0.0	-74.75	361.51	6.05	-68.70
CSCC(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620915	1	45	0.0	-75.10	353.92	5.61	-69.49
C[N@@H+]1CCCC(CCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012620916	0	51	0.0	-77.54	395.23	8.28	-69.26
C[N@H+]1CCCC(CCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012620916	1	51	0.0	-76.35	394.98	8.33	-68.02
CCC(C)CC(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620917	0	53	0.0	-77.69	394.87	7.65	-70.04
CCC(C)CC(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620917	1	53	0.0	-77.22	387.13	7.21	-70.01
C=CCCCC(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620918	0	51	0.0	-76.84	386.25	7.31	-69.53
C=CCCCC(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620918	1	51	0.0	-77.31	393.86	7.74	-69.57
C[N@@H+]1CCCC(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012620919	0	51	0.0	-76.35	394.98	8.34	-68.01
C[N@H+]1CCCC(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012620919	1	51	0.0	-77.18	394.97	8.33	-68.85
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012620920	0	54	0.0	-83.36	407.33	9.43	-73.93
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012620920	1	54	0.0	-83.34	406.40	9.45	-73.89
C[N@@H+]1CCCC(CCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012620921	0	46	0.0	-85.09	340.10	8.12	-76.97
C[N@H+]1CCCC(CCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012620921	1	46	0.0	-86.18	340.89	8.38	-77.80
C[N@@H+]1CCCC(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012620922	0	51	0.0	-79.87	374.39	8.04	-71.83
C[N@H+]1CCCC(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012620922	1	51	0.0	-79.06	382.01	8.48	-70.58
C[N@@H+]1CCCC(CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012620923	0	49	0.0	-90.12	358.65	9.13	-80.99
C[N@H+]1CCCC(CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012620923	1	49	0.0	-89.93	358.76	9.13	-80.80
C[N@@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012620924	0	44	0.0	-72.39	342.99	7.51	-64.88
C[N@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012620924	1	44	0.0	-72.14	350.60	7.95	-64.19
C[N@@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012620925	0	44	0.0	-72.39	342.99	7.51	-64.88
C[N@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012620925	1	44	0.0	-72.14	350.60	7.95	-64.19
C[N@@H+]1CCCC(CCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012620926	0	57	0.0	-64.74	416.71	5.48	-59.26
C[N@H+]1CCCC(CCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012620926	1	57	0.0	-65.97	416.71	5.48	-60.49
CN1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCC[N@H+](C)C2)CC1	REAL300012620927	1	61	0.0	-65.94	441.90	5.35	-60.59
CN1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCC[N@@H+](C)C2)CC1	REAL300012620927	1	61	0.0	-64.68	441.91	5.35	-59.33
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC1CCC[N@@H+](C)C1	REAL300012620928	0	52	0.0	-62.44	383.47	10.13	-52.31
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC1CCC[N@H+](C)C1	REAL300012620928	1	52	0.0	-64.31	385.09	10.05	-54.26
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCC2CCC[N@H+](C)C2)[C@H]1C(=O)[O-]	REAL300012620929	0	55	0.0	-69.56	393.16	10.24	-59.32
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCC2CCC[N@@H+](C)C2)[C@H]1C(=O)[O-]	REAL300012620929	1	55	0.0	-68.94	400.74	10.68	-58.26
C[N@@H+]1CCCC(CCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012620930	0	53	0.0	-75.30	385.97	8.42	-66.88
C[N@H+]1CCCC(CCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012620930	1	53	0.0	-76.53	386.38	8.42	-68.11
C[N@@H+]1CCCC(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012620931	0	48	0.0	-80.00	366.62	7.28	-72.72
C[N@H+]1CCCC(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012620931	1	48	0.0	-78.87	366.34	7.34	-71.53
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012620932	0	51	0.0	-74.23	405.07	8.36	-65.87
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012620932	1	51	0.0	-74.52	412.97	8.71	-65.81
C[N@@H+]1CCCC(CCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012620933	0	53	0.0	-78.92	406.73	7.22	-71.70
C[N@H+]1CCCC(CCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012620933	1	53	0.0	-78.96	414.34	7.66	-71.30
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012620934	0	47	0.0	-80.87	375.14	5.27	-75.60
C[N@H+]1CCCC(CCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012620934	1	47	0.0	-80.40	383.00	5.65	-74.75
C[N@@H+]1CCCC(CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012620935	0	48	0.0	-73.50	394.91	7.01	-66.49
C[N@H+]1CCCC(CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012620935	1	48	0.0	-73.80	394.06	7.02	-66.78
C[N@@H+]1CCCC(CCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012620936	0	48	0.0	-92.89	359.48	4.62	-88.27
C[N@H+]1CCCC(CCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012620936	1	48	0.0	-91.99	367.21	5.07	-86.92
CN1CC(C(=O)[O-])N(C(=O)NCCC2CCC[N@H+](C)C2)CC1=O	REAL300012620937	0	49	0.0	-79.45	357.55	6.44	-73.01
CN1CC(C(=O)[O-])N(C(=O)NCCC2CCC[N@@H+](C)C2)CC1=O	REAL300012620937	1	49	0.0	-78.62	365.19	6.89	-71.73
C[N@@H+]1CCCC(CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012620938	0	48	0.0	-79.22	366.57	7.26	-71.96
C[N@H+]1CCCC(CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012620938	1	48	0.0	-79.98	366.56	7.27	-72.71
C[N@@H+]1CCCC(CCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012620939	0	51	0.0	-81.93	376.01	6.62	-75.31
C[N@H+]1CCCC(CCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012620939	1	51	0.0	-78.03	388.00	7.08	-70.95
C[N@@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012620940	0	51	0.0	-63.46	364.70	8.58	-54.88
C[N@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012620940	1	51	0.0	-62.74	372.34	9.01	-53.73
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012620941	0	49	0.0	-86.41	369.76	3.54	-82.87
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012620941	1	49	0.0	-87.38	362.12	3.08	-84.30
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620942	0	57	0.0	-77.94	418.50	6.80	-71.14
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620942	1	57	0.0	-80.20	422.07	6.91	-73.29
CC1CCC(NC(=O)NCCC2CCC[N@H+](C)C2)(C(=O)[O-])C1	REAL300012620943	0	51	0.0	-82.21	365.51	6.91	-75.30
CC1CCC(NC(=O)NCCC2CCC[N@@H+](C)C2)(C(=O)[O-])C1	REAL300012620943	1	51	0.0	-82.78	366.51	6.94	-75.84
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012620944	0	54	0.0	-83.11	375.99	7.66	-75.45
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012620944	1	54	0.0	-83.62	374.40	7.54	-76.08
COCCC(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620945	0	48	0.0	-77.25	371.73	4.70	-72.55
COCCC(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620945	1	48	0.0	-77.16	364.12	4.26	-72.90
CN(C(=O)NCCC1CCC[N@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012620946	0	54	0.0	-76.77	399.47	10.17	-66.60
CN(C(=O)NCCC1CCC[N@@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012620946	1	54	0.0	-77.52	399.48	10.17	-67.35
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012620947	0	51	0.0	-84.08	367.65	7.60	-76.48
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012620947	1	51	0.0	-83.17	368.00	7.62	-75.55
CC1CCC(NC(=O)NCCC2CCC[N@H+](C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012620948	0	58	0.0	-84.43	415.25	9.58	-74.85
CC1CCC(NC(=O)NCCC2CCC[N@@H+](C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012620948	1	58	0.0	-83.31	415.26	9.59	-73.72
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620949	0	57	0.0	-79.81	414.48	6.40	-73.41
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620949	1	57	0.0	-80.72	414.79	6.43	-74.29
C[N@@H+]1CCCC(CCNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012620950	0	56	0.0	-69.67	408.80	10.71	-58.96
C[N@H+]1CCCC(CCNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012620950	1	56	0.0	-68.97	408.88	10.71	-58.26
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012620951	0	49	0.0	-75.07	365.24	4.65	-70.42
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012620951	1	49	0.0	-76.40	357.46	4.13	-72.27
C[N@@H+]1CCCC(CCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012620952	0	49	0.0	-87.86	351.56	8.26	-79.60
C[N@H+]1CCCC(CCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012620952	1	49	0.0	-87.08	359.19	8.69	-78.39
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012620953	0	52	0.0	-86.51	398.72	7.31	-79.20
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012620953	1	52	0.0	-86.27	398.14	7.35	-78.92
C[N@@H+]1CCCC(CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012620954	0	47	0.0	-85.26	343.60	5.95	-79.31
C[N@H+]1CCCC(CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012620954	1	47	0.0	-85.28	343.14	6.01	-79.27
CC1CCC(C(=O)[O-])N(C(=O)NCCC2CCC[N@H+](C)C2)C1	REAL300012620955	0	51	0.0	-89.39	356.87	9.26	-80.13
CC1CCC(C(=O)[O-])N(C(=O)NCCC2CCC[N@@H+](C)C2)C1	REAL300012620955	1	51	0.0	-87.39	361.06	8.69	-78.70
CC(C1=CC=CC=C1)C(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620956	0	54	0.0	-76.01	410.47	8.96	-67.05
CC(C1=CC=CC=C1)C(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620956	1	54	0.0	-77.57	404.00	8.56	-69.01
C[N@@H+]1CCCC(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012620957	0	55	0.0	-78.76	403.10	8.32	-70.44
C[N@H+]1CCCC(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012620957	1	55	0.0	-77.58	410.47	8.82	-68.76
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012620958	0	61	0.0	-79.73	430.82	8.46	-71.27
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012620958	1	61	0.0	-80.67	423.17	8.01	-72.66
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012620959	0	54	0.0	-79.79	389.10	7.64	-72.15
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012620959	1	54	0.0	-76.30	393.86	8.04	-68.26
C[N@@H+]1CCCC(CCNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012620960	0	55	0.0	-81.13	404.65	6.36	-74.77
C[N@H+]1CCCC(CCNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012620960	1	55	0.0	-79.72	411.43	6.82	-72.90
C[N@@H+]1CCCC(CCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012620961	0	55	0.0	-61.62	376.72	8.87	-52.75
C[N@H+]1CCCC(CCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012620961	1	55	0.0	-60.50	376.20	8.93	-51.57
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012620962	0	55	0.0	-81.34	380.46	6.20	-75.14
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012620962	1	55	0.0	-81.30	380.50	6.20	-75.10
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300012620963	0	54	0.0	-80.68	427.01	9.49	-71.19
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300012620963	1	54	0.0	-79.55	434.42	9.97	-69.58
CC1=CC=CC2=C1CCN(C(=O)NCCC1CCC[N@@H+](C)C1)C2C(=O)[O-]	REAL300012620964	0	55	0.0	-68.86	398.04	10.23	-58.63
CC1=CC=CC2=C1CCN(C(=O)NCCC1CCC[N@H+](C)C1)C2C(=O)[O-]	REAL300012620964	1	55	0.0	-69.73	398.93	10.24	-59.49
C[N@@H+]1CCCC(CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012620965	0	49	0.0	-64.11	351.99	8.12	-55.99
C[N@H+]1CCCC(CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012620965	1	49	0.0	-63.46	359.54	8.58	-54.88
C[N@@H+]1CCCC(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012620966	0	55	0.0	-78.76	403.10	8.32	-70.44
C[N@H+]1CCCC(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012620966	1	55	0.0	-77.58	410.47	8.82	-68.76
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012620967	0	51	0.0	-81.08	395.29	8.29	-72.79
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012620967	1	51	0.0	-80.25	402.89	8.72	-71.53
COC1CC(NC(=O)NCCC2CCC[N@H+](C)C2)(C(=O)[O-])C1	REAL300012620968	0	49	0.0	-84.69	364.92	4.87	-79.82
COC1CC(NC(=O)NCCC2CCC[N@@H+](C)C2)(C(=O)[O-])C1	REAL300012620968	1	49	0.0	-83.83	372.41	5.31	-78.52
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012620969	0	45	0.0	-80.92	340.27	5.92	-75.00
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012620969	1	45	0.0	-80.10	340.26	5.92	-74.18
CO[C@H]1C[C@](NC(=O)NCCC2CCC[N@H+](C)C2)(C(=O)[O-])C1	REAL300012620970	0	49	0.0	-78.46	370.65	5.21	-73.25
CO[C@H]1C[C@](NC(=O)NCCC2CCC[N@@H+](C)C2)(C(=O)[O-])C1	REAL300012620970	1	49	0.0	-79.33	363.03	4.78	-74.55
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012620971	0	48	0.0	-73.48	370.41	7.26	-66.22
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012620971	1	48	0.0	-73.75	373.24	6.56	-67.19
CCC1(C(=O)[O-])CCCN1C(=O)NCCC1CCC[N@H+](C)C1	REAL300012620972	0	51	0.0	-85.27	360.03	8.55	-76.72
CCC1(C(=O)[O-])CCCN1C(=O)NCCC1CCC[N@@H+](C)C1	REAL300012620972	1	51	0.0	-86.04	359.48	8.86	-77.18
C[N@@H+]1CCCC(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012620973	0	44	0.0	-70.62	353.76	6.40	-64.22
C[N@H+]1CCCC(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012620973	1	44	0.0	-71.32	353.74	6.40	-64.92
C[N@@H+]1CCCC(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012620974	0	52	0.0	-76.70	380.77	5.76	-70.94
C[N@H+]1CCCC(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012620974	1	52	0.0	-75.93	388.38	6.21	-69.72
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012620975	0	48	0.0	-78.18	380.49	7.33	-70.85
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012620975	1	48	0.0	-76.46	388.43	7.70	-68.76
COCC(NC(=O)NCCC1CCC[N@H+](C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012620976	0	55	0.0	-78.43	415.01	7.68	-70.75
COCC(NC(=O)NCCC1CCC[N@@H+](C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012620976	1	55	0.0	-79.31	407.37	7.24	-72.07
C[N@@H+]1CCCC(CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012620977	0	49	0.0	-84.89	360.13	8.30	-76.59
C[N@H+]1CCCC(CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012620977	1	49	0.0	-86.14	352.43	7.69	-78.45
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CCC[N@H+](C)C1	REAL300012620978	0	54	0.0	-60.40	403.88	11.52	-48.88
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1CCC[N@@H+](C)C1	REAL300012620978	1	54	0.0	-60.36	397.49	11.02	-49.34
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300012620979	0	55	0.0	-82.11	427.82	7.86	-74.25
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300012620979	1	55	0.0	-80.30	434.84	8.23	-72.07
C[N@@H+]1CCCC(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012620980	0	57	0.0	-78.94	410.82	8.39	-70.55
C[N@H+]1CCCC(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012620980	1	57	0.0	-77.20	418.38	8.84	-68.36
C[N@@H+]1CCCC(CCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012620981	0	54	0.0	-78.24	411.85	8.98	-69.26
C[N@H+]1CCCC(CCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012620981	1	54	0.0	-77.46	419.46	9.42	-68.04
C[N@@H+]1CCCC(CCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012620982	0	54	0.0	-77.09	419.23	9.49	-67.60
C[N@H+]1CCCC(CCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012620982	1	54	0.0	-77.87	411.59	9.04	-68.83
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012620983	0	55	0.0	-80.14	392.84	7.81	-72.33
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012620983	1	55	0.0	-79.82	393.27	8.05	-71.77
C[N@@H+]1CCCC(CCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012620984	0	57	0.0	-78.54	410.54	8.48	-70.06
C[N@H+]1CCCC(CCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012620984	1	57	0.0	-78.09	410.76	8.40	-69.69
C[N@@H+]1CCCC(CCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012620985	0	57	0.0	-77.48	409.95	8.40	-69.08
C[N@H+]1CCCC(CCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012620985	1	57	0.0	-78.94	410.76	8.39	-70.55
C[N@@H+]1CCCC(CCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012620986	0	55	0.0	-63.59	391.98	9.04	-54.55
C[N@H+]1CCCC(CCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012620986	1	55	0.0	-62.17	392.00	9.03	-53.14
C[N@@H+]1CCCC(CCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012620987	0	55	0.0	-85.22	394.38	9.30	-75.92
C[N@H+]1CCCC(CCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012620987	1	55	0.0	-86.16	394.12	9.31	-76.85
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300012620988	0	55	0.0	-82.57	430.72	7.89	-74.68
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300012620988	1	55	0.0	-82.73	438.59	8.25	-74.48
COC1=CC=C(CC(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300012620989	0	55	0.0	-77.18	425.09	7.95	-69.23
COC1=CC=C(CC(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300012620989	1	55	0.0	-80.70	418.25	7.51	-73.19
C=CCSCC(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012620990	0	49	0.0	-75.19	388.19	7.07	-68.12
C=CCSCC(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012620990	1	49	0.0	-74.78	395.79	7.50	-67.28
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012620991	0	52	0.0	-78.41	409.65	8.59	-69.82
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012620991	1	52	0.0	-76.93	417.27	9.04	-67.89
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300012620992	0	55	0.0	-93.16	428.48	8.20	-84.96
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300012620992	1	55	0.0	-82.51	427.71	8.86	-73.65
COC1(C(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])CCC1	REAL300012620993	0	52	0.0	-81.08	379.04	5.05	-76.03
COC1(C(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])CCC1	REAL300012620993	1	52	0.0	-75.03	376.70	4.86	-70.17
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012620994	0	54	0.0	-80.04	391.58	8.20	-71.84
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012620994	1	54	0.0	-79.06	391.55	8.19	-70.87
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012620995	0	55	0.0	-82.61	397.93	9.33	-73.28
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012620995	1	55	0.0	-82.55	397.90	9.32	-73.23
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012620996	0	48	0.0	-76.81	369.33	7.08	-69.73
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012620996	1	48	0.0	-77.70	361.68	6.63	-71.07
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300012620998	0	60	0.0	-78.48	442.56	9.68	-68.80
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300012620998	1	60	0.0	-79.32	442.53	9.67	-69.65
CC(C)C1=CC=C(C(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300012620999	0	57	0.0	-78.49	434.22	9.71	-68.78
CC(C)C1=CC=C(C(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300012620999	1	57	0.0	-78.85	426.85	9.21	-69.64
C[N@@H+]1CCCC(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012621000	0	45	0.0	-81.19	343.33	7.63	-73.56
C[N@H+]1CCCC(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012621000	1	45	0.0	-82.42	336.45	6.92	-75.50
C[N@@H+]1CCCC(CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012621001	0	47	0.0	-62.25	346.30	7.83	-54.42
C[N@H+]1CCCC(CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012621001	1	47	0.0	-63.37	344.95	7.92	-55.45
C[N@@H+]1CCCC(CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012621002	0	51	0.0	-85.91	365.52	7.78	-78.13
C[N@H+]1CCCC(CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012621002	1	51	0.0	-85.84	361.55	8.08	-77.76
CCOC1=CC=C(C(NC(=O)NCCC2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300012621003	0	55	0.0	-78.19	425.34	8.01	-70.18
CCOC1=CC=C(C(NC(=O)NCCC2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300012621003	1	55	0.0	-77.75	417.73	7.56	-70.19
C[N@@H+]1CCCC(CCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012621004	0	55	0.0	-88.59	384.93	9.96	-78.63
C[N@H+]1CCCC(CCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012621004	1	55	0.0	-87.42	385.47	9.75	-77.67
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012621005	0	55	0.0	-79.19	409.22	9.09	-70.10
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012621005	1	55	0.0	-79.93	408.07	9.72	-70.21
C[N@@H+]1CCCC(CCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012621006	0	55	0.0	-83.67	409.05	8.31	-75.36
C[N@H+]1CCCC(CCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012621006	1	55	0.0	-84.64	409.02	8.31	-76.33
C[N@@H+]1CCCC(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012621007	0	51	0.0	-80.78	402.01	8.20	-72.58
C[N@H+]1CCCC(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012621007	1	51	0.0	-81.79	402.59	8.26	-73.53
CC(C)CCC(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012621008	0	53	0.0	-77.06	398.38	7.75	-69.31
CC(C)CCC(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012621008	1	53	0.0	-77.02	390.76	7.33	-69.69
C[N@@H+]1CCCC(CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012621009	0	52	0.0	-63.75	376.98	8.57	-55.18
C[N@H+]1CCCC(CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012621009	1	52	0.0	-62.31	376.97	8.56	-53.75
C[N@@H+]1CCCC(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012621010	0	52	0.0	-76.70	380.77	5.76	-70.94
C[N@H+]1CCCC(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012621010	1	52	0.0	-75.93	388.38	6.21	-69.72
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC2CCC[N@H+](C)C2)C1	REAL300012621011	0	49	0.0	-81.00	381.22	8.52	-72.48
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC2CCC[N@@H+](C)C2)C1	REAL300012621011	1	49	0.0	-81.60	372.46	8.28	-73.32
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012621012	0	52	0.0	-84.58	365.42	8.06	-76.52
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012621012	1	52	0.0	-81.20	368.14	7.76	-73.44
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012621013	0	49	0.0	-84.57	352.71	7.18	-77.39
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012621013	1	49	0.0	-81.46	354.06	6.91	-74.55
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012621014	0	52	0.0	-82.51	374.19	7.52	-74.99
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012621014	1	52	0.0	-81.65	381.81	7.97	-73.68
CN(C(=O)NCCC1CCC[N@H+](C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012621015	0	54	0.0	-75.83	405.05	10.57	-65.26
CN(C(=O)NCCC1CCC[N@@H+](C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012621015	1	54	0.0	-77.22	399.44	10.27	-66.95
C[N@@H+]1CCCC(CCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012621016	0	58	0.0	-62.24	406.09	9.52	-52.72
C[N@H+]1CCCC(CCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012621016	1	58	0.0	-63.76	406.09	9.52	-54.24
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012621017	0	51	0.0	-79.76	373.57	6.86	-72.90
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012621017	1	51	0.0	-78.31	374.30	7.21	-71.10
CO[C@H](C)[C@H](NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012621018	0	48	0.0	-79.08	359.94	4.43	-74.65
CO[C@H](C)[C@H](NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012621018	1	48	0.0	-78.35	360.31	4.49	-73.86
C[N@@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012621019	0	51	0.0	-63.77	381.24	9.71	-54.06
C[N@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012621019	1	51	0.0	-64.54	387.30	10.00	-54.54
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300012621020	0	58	0.0	-79.44	440.78	10.66	-68.78
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300012621020	1	58	0.0	-79.16	448.18	11.19	-67.97
C[N@@H+]1CCCC(CCNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012621021	0	51	0.0	-63.28	377.59	8.31	-54.97
C[N@H+]1CCCC(CCNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012621021	1	51	0.0	-62.12	369.05	7.86	-54.26
C[N@@H+]1CCCC(CCNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012621022	0	52	0.0	-82.18	388.19	10.30	-71.88
C[N@H+]1CCCC(CCNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012621022	1	52	0.0	-83.50	389.37	10.38	-73.12
C[N@@H+]1CCCC(CCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012621023	0	48	0.0	-85.64	351.92	8.49	-77.15
C[N@H+]1CCCC(CCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012621023	1	48	0.0	-84.61	351.27	8.24	-76.37
C[N@@H+]1CCCC(CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012621024	0	45	0.0	-86.48	340.86	7.25	-79.23
C[N@H+]1CCCC(CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012621024	1	45	0.0	-86.91	341.75	6.94	-79.97
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012621025	0	51	0.0	-81.08	395.29	8.29	-72.79
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012621025	1	51	0.0	-80.25	402.89	8.72	-71.53
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012621026	0	48	0.0	-77.12	379.46	7.20	-69.92
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012621026	1	48	0.0	-76.57	386.47	7.57	-69.00
C[N@@H+]1CCCC(CCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012621027	0	48	0.0	-81.32	358.81	7.88	-73.44
C[N@H+]1CCCC(CCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012621027	1	48	0.0	-81.71	366.42	8.32	-73.39
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012621028	0	52	0.0	-83.15	393.52	7.95	-75.20
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012621028	1	52	0.0	-82.17	401.25	8.39	-73.78
C[N@@H+]1CCCC(CCNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012621029	0	56	0.0	-82.27	416.45	9.53	-72.74
C[N@H+]1CCCC(CCNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012621029	1	56	0.0	-83.72	418.23	9.28	-74.44
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012621030	0	48	0.0	-77.12	379.46	7.20	-69.92
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012621030	1	48	0.0	-76.57	386.47	7.57	-69.00
C[N@@H+]1CCCC(CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012621031	0	52	0.0	-87.35	368.57	8.29	-79.06
C[N@H+]1CCCC(CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012621031	1	52	0.0	-86.54	376.19	8.73	-77.81
COCCCC(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012621032	0	51	0.0	-76.50	392.98	5.53	-70.97
COCCCC(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012621032	1	51	0.0	-76.49	385.37	5.10	-71.39
CCOCC(NC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300012621033	0	48	0.0	-79.89	364.01	4.45	-75.44
CCOCC(NC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300012621033	1	48	0.0	-78.97	364.02	4.46	-74.51
C[N@@H+]1CCCC(CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012621034	0	53	0.0	-77.10	388.91	8.03	-69.07
C[N@H+]1CCCC(CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012621034	1	53	0.0	-77.05	388.91	8.03	-69.02
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012621035	0	52	0.0	-80.77	379.17	5.35	-75.42
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012621035	1	52	0.0	-79.80	379.16	5.35	-74.45
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300012621036	0	48	0.0	-75.97	387.90	7.89	-68.08
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300012621036	1	48	0.0	-75.48	387.64	7.97	-67.51
C[N@@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012621037	0	52	0.0	-82.51	386.07	8.52	-73.99
C[N@H+]1CCCC(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012621037	1	52	0.0	-81.57	386.06	8.52	-73.05
C[C@H]1OCCN(C(=O)NCCC2CCC[N@H+](C)C2)[C@@H]1C(=O)[O-]	REAL300012621038	0	49	0.0	-86.74	351.87	6.66	-80.08
C[C@H]1OCCN(C(=O)NCCC2CCC[N@@H+](C)C2)[C@@H]1C(=O)[O-]	REAL300012621038	1	49	0.0	-85.16	351.21	6.42	-78.74
C[N@@H+]1CCCC(CCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012621039	0	51	0.0	-76.76	371.55	8.09	-68.67
C[N@H+]1CCCC(CCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012621039	1	51	0.0	-75.94	379.18	8.54	-67.40
C[N@@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012621040	0	62	0.0	-82.45	422.98	9.30	-73.15
C[N@H+]1CCCC(CCNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012621040	1	62	0.0	-83.39	422.98	9.30	-74.09
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012621041	0	54	0.0	-82.68	418.54	8.52	-74.16
C[N@H+]1CCCC(CCNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012621041	1	54	0.0	-81.24	414.21	8.55	-72.69
C[N@@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012621042	0	48	0.0	-65.51	369.04	8.14	-57.37
C[N@H+]1CCCC(CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012621042	1	48	0.0	-66.59	369.03	8.14	-58.45
C[N@@H+]1CCCC(CCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012621043	0	59	0.0	-87.81	403.10	8.95	-78.86
C[N@H+]1CCCC(CCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012621043	1	59	0.0	-85.15	408.32	9.18	-75.97
C[N@@H+]1CCCC(CCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012621044	0	50	0.0	-77.96	400.45	6.92	-71.04
C[N@H+]1CCCC(CCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012621044	1	50	0.0	-74.12	400.40	6.89	-67.23
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC2CCC[N@H+](C)C2)C1	REAL300012621045	0	52	0.0	-81.26	383.50	7.15	-74.11
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC2CCC[N@@H+](C)C2)C1	REAL300012621045	1	52	0.0	-80.39	391.13	7.60	-72.79
C#CCSCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012621140	0	49	0.0	-59.90	398.03	6.79	-53.11
CC1=[NH+]C=CN1CCCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012621431	1	48	0.0	-71.38	383.64	7.56	-63.82
C=CCOCC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621432	1	47	0.0	-72.22	391.07	6.04	-66.18
C=CC(C)C(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621433	1	46	0.0	-72.98	370.52	7.14	-65.84
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012621434	1	50	0.0	-71.02	393.01	6.34	-64.68
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012621435	1	46	0.0	-67.68	393.82	8.45	-59.23
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012621436	1	46	0.0	-67.18	403.47	8.99	-58.19
COC1CCN(C(=O)NCCCCN2C=C[NH+]=C2C)C(C(=O)[O-])C1	REAL300012621437	1	50	0.0	-82.05	385.12	8.27	-73.78
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012621438	1	50	0.0	-71.02	389.39	6.09	-64.93
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012621439	1	49	0.0	-82.03	375.95	10.08	-71.95
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012621440	1	49	0.0	-69.41	407.82	9.02	-60.39
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012621441	1	51	0.0	-73.27	416.76	8.26	-65.01
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012621442	1	52	0.0	-74.08	423.70	9.73	-64.35
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012621443	1	52	0.0	-73.61	419.27	9.62	-63.99
COC1=CC=C(C(NC(=O)NCCCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1Cl	REAL300012621444	1	50	0.0	-72.59	426.37	8.26	-64.33
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=C(C)C(C)=CC=C1	REAL300012621445	1	52	0.0	-73.33	411.95	9.47	-63.86
COC1=CC=C(C(NC(=O)NCCCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1F	REAL300012621446	1	50	0.0	-73.20	416.57	7.78	-65.42
CC1=[NH+]C=CN1CCCCNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012621447	1	49	0.0	-53.78	372.66	10.00	-43.78
CCCN(C(=O)NCCCCN1C=C[NH+]=C1C)C(COC)C(=O)[O-]	REAL300012621448	1	52	0.0	-75.81	406.26	9.79	-66.02
CCCN(C(=O)NCCCCN1C=C[NH+]=C1C)C(CC)C(=O)[O-]	REAL300012621449	1	51	0.0	-54.99	389.13	10.47	-44.52
CC1=[NH+]C=CN1CCCCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012621450	1	46	0.0	-81.85	355.03	9.43	-72.42
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012621451	1	46	0.0	-68.81	397.61	8.94	-59.87
CC1=[NH+]C=CN1CCCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012621452	1	44	0.0	-78.07	354.60	9.19	-68.88
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012621453	1	49	0.0	-75.91	374.46	8.47	-67.44
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012621454	1	46	0.0	-75.52	359.36	7.33	-68.19
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012621455	1	52	0.0	-76.51	380.11	9.14	-67.37
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012621456	1	49	0.0	-73.55	403.38	9.28	-64.27
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012621457	1	49	0.0	-59.01	401.87	11.08	-47.93
CC1=[NH+]C=CN1CCCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012621458	1	46	0.0	-73.26	380.88	8.42	-64.84
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012621459	1	46	0.0	-73.56	381.09	8.34	-65.22
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012621460	1	49	0.0	-73.55	403.38	9.28	-64.27
CCC(C)C(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621461	1	48	0.0	-72.01	376.18	7.23	-64.78
CC1=[NH+]C=CN1CCCCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012621462	1	46	0.0	-81.85	355.03	9.43	-72.42
CCCC(C)(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621463	1	48	0.0	-71.47	370.58	7.39	-64.08
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012621464	1	48	0.0	-58.04	378.78	9.14	-48.90
CC1=[NH+]C=CN1CCCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012621465	1	50	0.0	-82.15	393.24	11.48	-70.67
CC1=[NH+]C=CN1CCCCNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012621466	1	46	0.0	-73.73	358.58	7.37	-66.36
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012621467	1	43	0.0	-71.04	372.70	7.42	-63.62
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012621468	1	49	0.0	-75.91	374.46	8.47	-67.44
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012621469	1	49	0.0	-56.44	418.60	11.60	-44.84
CC1=[NH+]C=CN1CCCCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012621470	1	53	0.0	-74.27	432.41	9.36	-64.91
CC[C@H](C)[C@H](NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621471	1	48	0.0	-72.02	376.18	7.23	-64.79
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012621472	1	46	0.0	-75.52	359.36	7.33	-68.19
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012621473	1	49	0.0	-56.62	408.28	11.15	-45.47
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012621474	1	50	0.0	-75.33	399.05	9.51	-65.82
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012621475	1	46	0.0	-73.42	391.95	8.49	-64.93
CC1=[NH+]C=CN1CCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012621476	1	49	0.0	-73.57	388.90	9.12	-64.45
CCCCCCC(C)(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621477	1	57	0.0	-71.65	435.08	9.72	-61.93
CC1=[NH+]C=CN1CCCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012621478	1	52	0.0	-70.50	412.45	11.31	-59.19
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012621479	1	46	0.0	-68.81	397.61	8.94	-59.87
CC1=[NH+]C=CN1CCCCNC(=O)N1CCOCC1C(=O)[O-]	REAL300012621480	1	44	0.0	-78.20	346.20	6.78	-71.42
CC1=[NH+]C=CN1CCCCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012621481	1	52	0.0	-76.38	383.72	9.79	-66.59
CC1=[NH+]C=CN1CCCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012621482	1	52	0.0	-59.66	424.27	11.86	-47.80
CC1=[NH+]C=CN1CCCCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012621483	1	49	0.0	-70.62	392.33	10.10	-60.52
COCCN(CC(=O)[O-])C(=O)NCCCCN1C=C[NH+]=C1C	REAL300012621484	1	46	0.0	-59.29	374.25	7.26	-52.03
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012621485	1	50	0.0	-78.39	396.13	9.46	-68.93
CC1=[NH+]C=CN1CCCCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012621486	1	46	0.0	-80.76	354.54	9.19	-71.57
CC1=[NH+]C=CN1CCCCNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012621487	1	46	0.0	-77.93	360.83	8.72	-69.21
CC1=[NH+]C=CN1CCCCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012621488	1	53	0.0	-80.18	437.26	9.23	-70.95
CC1=[NH+]C=CN1CCCCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012621489	1	49	0.0	-80.36	367.85	9.82	-70.54
CCCCC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621490	1	48	0.0	-70.32	387.11	7.82	-62.50
CC1=[NH+]C=CN1CCCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012621491	1	52	0.0	-59.66	424.27	11.86	-47.80
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012621492	1	46	0.0	-77.15	360.88	8.70	-68.45
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012621493	1	49	0.0	-59.00	379.22	9.65	-49.35
CCCCCC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621494	1	51	0.0	-70.22	408.61	8.60	-61.62
CCC1CCC(NC(=O)NCCCCN2C=C[NH+]=C2C)(C(=O)[O-])CC1	REAL300012621495	1	55	0.0	-75.76	413.51	9.73	-66.03
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012621496	1	50	0.0	-59.53	387.64	7.98	-51.55
CC1=[NH+]C=CN1CCCCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012621497	1	49	0.0	-77.48	370.39	9.08	-68.40
CC1=[NH+]C=CN1CCCCNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012621498	1	46	0.0	-60.21	361.28	8.77	-51.44
CCC(C(=O)[O-])N(C(=O)NCCCCN1C=C[NH+]=C1C)C1CC1	REAL300012621499	1	49	0.0	-59.46	382.80	9.94	-49.52
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012621500	1	46	0.0	-74.61	393.06	8.77	-65.84
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012621501	1	46	0.0	-77.80	385.27	8.48	-69.32
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012621502	1	50	0.0	-62.15	396.01	10.77	-51.38
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012621503	1	49	0.0	-70.95	416.60	9.35	-61.60
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012621504	1	55	0.0	-77.26	447.05	11.33	-65.93
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012621505	1	55	0.0	-71.29	425.07	9.54	-61.75
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012621506	1	52	0.0	-60.20	413.61	11.79	-48.41
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012621507	1	49	0.0	-73.70	402.50	9.02	-64.68
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012621508	1	42	0.0	-65.66	360.87	6.96	-58.70
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012621509	1	52	0.0	-74.21	426.86	10.67	-63.54
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012621510	1	47	0.0	-71.78	372.15	8.16	-63.62
COCC(C)(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621511	1	46	0.0	-75.39	367.33	5.92	-69.47
CCOCC(C(=O)[O-])N(C)C(=O)NCCCCN1C=C[NH+]=C1C	REAL300012621512	1	49	0.0	-68.16	387.58	7.73	-60.43
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012621513	1	48	0.0	-58.04	378.78	9.14	-48.90
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCCN1C=C[NH+]=C1C	REAL300012621514	1	55	0.0	-56.19	422.04	11.61	-44.58
CC1=[NH+]C=CN1CCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012621515	1	45	0.0	-58.00	382.50	9.21	-48.79
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012621516	1	44	0.0	-71.42	350.47	4.77	-66.65
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012621517	1	52	0.0	-74.11	398.68	8.47	-65.64
CC1=[NH+]C=CN1CCCCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012621518	1	53	0.0	-69.84	414.25	9.02	-60.82
CC1=[NH+]C=CN1CCCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012621519	1	53	0.0	-80.87	419.07	12.45	-68.42
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012621520	1	47	0.0	-73.98	365.88	5.98	-68.00
C=CCCC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621521	1	46	0.0	-69.98	378.42	7.60	-62.38
CC1=[NH+]C=CN1CCCCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012621522	1	52	0.0	-54.18	411.22	12.11	-42.07
CCC(CC)(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621523	1	48	0.0	-73.14	365.47	7.53	-65.61
COC1=CC=C(C(NC(=O)NCCCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300012621524	1	50	0.0	-73.10	410.61	7.62	-65.48
CCC(C)N(CC(=O)[O-])C(=O)NCCCCN1C=C[NH+]=C1C	REAL300012621525	1	48	0.0	-56.91	376.18	9.51	-47.40
CCC(COC)(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621526	1	49	0.0	-76.75	384.00	6.82	-69.93
CC1=[NH+]C=CN1CCCCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012621527	1	52	0.0	-68.83	407.35	8.40	-60.43
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012621528	1	49	0.0	-76.47	390.99	4.48	-71.99
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012621529	1	46	0.0	-70.90	376.55	7.82	-63.08
COCCC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621530	1	46	0.0	-70.94	378.62	5.33	-65.61
CC1=[NH+]C=CN1CCCCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012621531	1	51	0.0	-68.78	394.18	9.69	-59.09
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012621532	1	42	0.0	-69.55	356.46	6.56	-62.99
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCCN1C=C[NH+]=C1C	REAL300012621533	1	52	0.0	-79.81	395.47	10.68	-69.13
CCCN(C(=O)NCCCCN1C=C[NH+]=C1C)C(C)C(=O)[O-]	REAL300012621534	1	48	0.0	-68.04	374.03	8.79	-59.25
CC1=[NH+]C=CN1CCCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012621535	1	52	0.0	-55.57	413.41	12.11	-43.46
CCC(NC(=O)NCCCCN1C=C[NH+]=C1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012621536	1	52	0.0	-71.64	422.61	10.54	-61.10
CCC(NC(=O)NCCCCN1C=C[NH+]=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012621537	1	52	0.0	-75.12	405.91	10.02	-65.10
COC1CCCC(C(NC(=O)NCCCCN2C=C[NH+]=C2C)C(=O)[O-])C1	REAL300012621538	1	56	0.0	-77.78	431.13	7.46	-70.32
CC1=[NH+]C=CN1CCCCNC(=O)NC(CCF)C(=O)[O-]	REAL300012621539	1	42	0.0	-68.95	350.70	6.42	-62.53
COC1(CC(NC(=O)NCCCCN2C=C[NH+]=C2C)C(=O)[O-])CCC1	REAL300012621540	1	53	0.0	-72.78	415.03	7.68	-65.10
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012621541	1	50	0.0	-59.53	387.64	7.98	-51.55
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012621542	1	52	0.0	-59.54	396.60	10.35	-49.19
CC1=[NH+]C=CN1CCCCNC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1	REAL300012621543	1	52	0.0	-75.35	388.22	8.86	-66.49
COC1=CC=CC(C(NC(=O)NCCCCN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300012621544	1	50	0.0	-75.80	410.59	7.62	-68.18
CC1=[NH+]C=CN1CCCCNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012621545	1	45	0.0	-68.01	355.67	6.78	-61.23
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012621546	1	47	0.0	-63.82	378.45	8.96	-54.86
CC1=[NH+]C=CN1CCCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012621547	1	43	0.0	-71.41	357.46	8.03	-63.38
COC1=CC=CC([C@H](NC(=O)NCCCCN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300012621548	1	50	0.0	-74.74	409.99	7.66	-67.08
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCCN2C=C[NH+]=C2C)C1	REAL300012621549	1	52	0.0	-79.62	409.73	10.05	-69.57
COC1=CC=CC(CC(NC(=O)NCCCCN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300012621550	1	53	0.0	-71.65	432.59	8.64	-63.01
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012621551	1	55	0.0	-77.14	402.39	9.34	-67.80
CC1=[NH+]C=CN1CCCCNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012621552	1	44	0.0	-83.17	351.00	8.81	-74.36
CC1=[NH+]C=CN1CCCCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012621553	1	52	0.0	-70.60	423.24	9.98	-60.62
CC1=[NH+]C=CN1CCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012621554	1	51	0.0	-69.22	417.11	9.79	-59.43
COC1CN(C(=O)NCCCCN2C=C[NH+]=C2C)C(C)(C(=O)[O-])C1	REAL300012621555	1	50	0.0	-78.09	394.09	7.70	-70.39
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012621556	1	53	0.0	-71.82	416.34	7.10	-64.72
CC1=[NH+]C=CN1CCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012621557	1	48	0.0	-72.25	375.73	7.38	-64.87
C=C(Cl)CC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621558	1	43	0.0	-71.45	374.21	7.33	-64.12
C=C(C)CC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621559	1	46	0.0	-71.03	378.79	7.46	-63.57
CC1=[NH+]C=CN1CCCCNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012621560	1	47	0.0	-85.24	365.78	9.61	-75.63
CC1=[NH+]C=CN1CCCCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012621561	1	52	0.0	-71.14	412.92	9.53	-61.61
CC1=[NH+]C=CN1CCCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012621562	1	43	0.0	-70.55	356.69	8.34	-62.21
CC1=[NH+]C=CN1CCCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012621563	1	43	0.0	-74.65	350.20	8.27	-66.38
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCCN2C=C[NH+]=C2C)C1	REAL300012621564	1	44	0.0	-77.47	357.97	8.22	-69.25
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012621565	1	53	0.0	-72.80	416.16	7.14	-65.66
CC1=[NH+]C=CN1CCCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012621566	1	48	0.0	-71.38	383.64	7.56	-63.82
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012621567	1	50	0.0	-71.02	393.01	6.34	-64.68
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012621568	1	46	0.0	-73.56	381.09	8.34	-65.22
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012621569	1	49	0.0	-72.13	419.82	9.32	-62.81
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012621570	1	46	0.0	-70.90	376.55	7.82	-63.08
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012621571	1	45	0.0	-72.25	390.11	6.40	-65.85
CC1=[NH+]C=CN1CCCCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012621572	1	54	0.0	-70.28	426.17	9.11	-61.17
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012621573	1	52	0.0	-74.63	431.98	9.77	-64.86
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012621574	1	50	0.0	-75.90	400.89	6.70	-69.20
CSCC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621575	1	43	0.0	-68.87	368.42	6.69	-62.18
CC1=[NH+]C=CN1CCCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012621576	1	49	0.0	-70.74	409.49	9.40	-61.34
CCC(C)CC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621577	1	51	0.0	-70.72	401.04	8.23	-62.49
C=CCCCC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621578	1	49	0.0	-70.56	400.75	8.38	-62.18
CC1=[NH+]C=CN1CCCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012621579	1	49	0.0	-70.08	409.48	9.41	-60.67
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012621580	1	52	0.0	-77.73	422.01	10.50	-67.23
CC1=[NH+]C=CN1CCCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012621581	1	44	0.0	-78.07	354.60	9.19	-68.88
CC1=[NH+]C=CN1CCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012621582	1	49	0.0	-73.57	388.90	9.12	-64.45
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012621583	1	47	0.0	-84.04	365.31	9.72	-74.32
CCN(C(=O)NCCCCN1C=C[NH+]=C1C)C(C)(C)C(=O)[O-]	REAL300012621584	1	48	0.0	-75.19	369.65	9.03	-66.16
CCCN(C(=O)NCCCCN1C=C[NH+]=C1C)C(C)C(=O)[O-]	REAL300012621585	1	48	0.0	-68.04	374.03	8.79	-59.25
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012621586	1	42	0.0	-66.64	357.49	8.59	-58.05
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012621587	1	42	0.0	-66.64	357.49	8.59	-58.05
CC1=[NH+]C=CN1CCCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012621588	1	55	0.0	-59.21	431.22	6.55	-52.66
CC1=[NH+]C=CN1CCCCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012621589	1	44	0.0	-80.16	355.72	4.48	-75.68
CC1=NC=CN1CCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012621590	0	59	0.0	-63.42	450.69	8.09	-55.33
CC1=[NH+]C=CN1CCCCNC(=O)N1C2=C(CC1C(=O)[O-])C(C)=CC=C2	REAL300012621591	1	50	0.0	-57.54	399.51	11.11	-46.43
CC1=[NH+]C=CN1CCCCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012621592	1	53	0.0	-63.03	407.59	11.30	-51.73
CC1=[NH+]C=CN1CCCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012621593	1	51	0.0	-69.98	400.90	9.50	-60.48
CC1=[NH+]C=CN1CCCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012621594	1	46	0.0	-73.26	380.88	8.42	-64.84
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012621595	1	49	0.0	-68.98	419.84	9.34	-59.64
CC1=[NH+]C=CN1CCCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012621596	1	51	0.0	-73.04	420.99	8.35	-64.69
C=CCCC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621597	1	46	0.0	-69.98	378.42	7.60	-62.38
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012621598	1	45	0.0	-74.37	389.65	6.34	-68.03
CC1=[NH+]C=CN1CCCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012621599	1	46	0.0	-67.36	409.41	8.10	-59.26
CC1=[NH+]C=CN1CCCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012621600	1	46	0.0	-86.53	374.20	5.74	-80.79
CC1=[NH+]C=CN1CCCCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012621601	1	47	0.0	-72.74	371.96	7.42	-65.32
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012621602	1	46	0.0	-77.99	360.83	8.72	-69.27
CC1=[NH+]C=CN1CCCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012621603	1	46	0.0	-72.36	380.47	8.35	-64.01
CC1=[NH+]C=CN1CCCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012621604	1	49	0.0	-75.34	390.56	7.67	-67.67
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012621605	1	49	0.0	-59.00	379.22	9.65	-49.35
CC[C@H](C)[C@H](NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621606	1	48	0.0	-72.02	376.18	7.23	-64.79
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012621607	1	47	0.0	-76.94	378.33	4.27	-72.67
CC1=[NH+]C=CN1CCCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012621608	1	55	0.0	-73.01	428.21	7.56	-65.45
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012621609	1	49	0.0	-76.18	381.01	8.00	-68.18
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012621610	1	52	0.0	-77.16	388.88	8.62	-68.54
COCCC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621611	1	46	0.0	-70.94	378.62	5.33	-65.61
CC1=[NH+]C=CN1CCCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012621612	1	52	0.0	-70.50	412.45	11.31	-59.19
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012621613	1	49	0.0	-76.80	382.27	8.68	-68.12
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012621614	1	56	0.0	-78.43	430.08	10.71	-67.72
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012621615	1	46	0.0	-74.33	368.54	7.63	-66.70
CC1=[NH+]C=CN1CCCCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012621616	1	55	0.0	-73.58	428.79	7.55	-66.03
CC1=[NH+]C=CN1CCCCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012621617	1	44	0.0	-84.16	354.43	4.65	-79.51
CC1=[NH+]C=CN1CCCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012621618	1	54	0.0	-62.66	423.28	11.90	-50.76
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012621619	1	47	0.0	-72.13	371.72	5.29	-66.84
CC1=[NH+]C=CN1CCCCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012621620	1	47	0.0	-81.56	365.61	9.31	-72.25
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012621621	1	50	0.0	-81.29	413.02	8.41	-72.88
CC1=[NH+]C=CN1CCCCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012621622	1	45	0.0	-78.55	358.30	6.99	-71.56
CC1=[NH+]C=CN1CCCCNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012621623	1	49	0.0	-81.26	375.87	10.03	-71.23
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012621624	1	52	0.0	-73.66	408.27	9.30	-64.36
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012621625	1	53	0.0	-71.74	413.18	10.07	-61.67
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012621626	1	46	0.0	-72.93	365.08	7.15	-65.78
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012621627	1	59	0.0	-73.64	438.20	9.03	-64.61
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012621628	1	52	0.0	-74.11	398.68	8.47	-65.64
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012621629	1	46	0.0	-72.93	365.08	7.15	-65.78
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012621630	1	46	0.0	-79.00	359.88	8.33	-70.67
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012621631	1	53	0.0	-71.81	417.17	8.01	-63.80
CC1=[NH+]C=CN1CCCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012621632	1	53	0.0	-56.27	390.72	9.98	-46.29
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012621633	1	53	0.0	-75.75	394.98	7.27	-68.48
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC2=C(C=CC=C2C)C1C(=O)[O-]	REAL300012621634	1	53	0.0	-86.91	409.06	11.81	-75.10
CC1=[NH+]C=CN1CCCCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012621635	1	47	0.0	-58.33	366.75	9.20	-49.13
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012621636	1	53	0.0	-71.74	413.18	10.07	-61.67
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012621637	1	49	0.0	-74.56	409.79	9.35	-65.21
COC1CC(NC(=O)NCCCCN2C=C[NH+]=C2C)(C(=O)[O-])C1	REAL300012621638	1	47	0.0	-72.09	377.66	5.84	-66.25
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012621639	1	43	0.0	-74.49	354.50	7.00	-67.49
CO[C@H]1C[C@](NC(=O)NCCCCN2C=C[NH+]=C2C)(C(=O)[O-])C1	REAL300012621640	1	47	0.0	-72.10	377.67	5.85	-66.25
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012621641	1	46	0.0	-65.78	385.44	7.77	-58.01
CCC1(C(=O)[O-])CCCN1C(=O)NCCCCN1C=C[NH+]=C1C	REAL300012621642	1	49	0.0	-78.87	376.59	9.86	-69.01
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012621643	1	42	0.0	-65.66	360.87	6.96	-58.70
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012621644	1	50	0.0	-71.73	399.83	6.33	-65.40
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012621645	1	46	0.0	-71.30	395.57	8.26	-63.04
COCC(NC(=O)NCCCCN1C=C[NH+]=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012621646	1	53	0.0	-72.97	421.86	8.31	-64.66
CC1=[NH+]C=CN1CCCCNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012621647	1	48	0.0	-72.60	364.00	7.27	-65.33
CC1=[NH+]C=CN1CCCCNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012621648	1	44	0.0	-82.27	351.35	9.33	-72.94
CC1=[NH+]C=CN1CCCCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012621649	1	47	0.0	-80.10	366.92	8.94	-71.16
CC1=[NH+]C=CN1CCCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012621650	1	52	0.0	-55.57	413.41	12.11	-43.46
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012621651	1	55	0.0	-71.29	425.07	9.54	-61.75
CC1=[NH+]C=CN1CCCCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012621652	1	52	0.0	-71.99	426.34	10.06	-61.93
CC1=[NH+]C=CN1CCCCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012621653	1	52	0.0	-72.38	426.11	10.12	-62.26
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012621654	1	53	0.0	-72.87	406.57	9.04	-63.83
CC1=[NH+]C=CN1CCCCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012621655	1	55	0.0	-72.46	425.29	9.47	-62.99
CC1=[NH+]C=CN1CCCCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012621656	1	55	0.0	-71.80	425.32	9.47	-62.33
CC1=[NH+]C=CN1CCCCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012621657	1	53	0.0	-57.44	405.57	10.15	-47.29
CC1=[NH+]C=CN1CCCCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012621658	1	53	0.0	-80.26	401.21	9.95	-70.31
COC1=CC=C(CC(NC(=O)NCCCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300012621659	1	53	0.0	-73.88	432.63	8.64	-65.24
C=CCSCC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621660	1	47	0.0	-68.25	402.02	8.16	-60.09
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012621661	1	50	0.0	-71.67	423.98	9.73	-61.94
CCC(C(=O)[O-])N(CC)C(=O)NCCCCN1C=C[NH+]=C1C	REAL300012621662	1	48	0.0	-74.25	370.94	9.71	-64.54
COC1(C(NC(=O)NCCCCN2C=C[NH+]=C2C)C(=O)[O-])CCC1	REAL300012621663	1	50	0.0	-68.45	392.56	5.92	-62.53
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012621664	1	52	0.0	-76.23	406.86	9.31	-66.92
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012621665	1	53	0.0	-76.24	412.38	10.40	-65.84
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012621666	1	46	0.0	-71.52	380.02	7.87	-63.65
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012621668	1	58	0.0	-72.65	457.33	10.66	-61.99
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012621669	1	55	0.0	-72.61	441.32	10.25	-62.36
CC1=[NH+]C=CN1CCCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012621670	1	43	0.0	-74.65	350.20	8.27	-66.38
CC1=[NH+]C=CN1CCCCNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012621671	1	45	0.0	-56.69	359.78	9.01	-47.68
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012621672	1	49	0.0	-80.13	379.84	8.82	-71.31
CCOC1=CC=C(C(NC(=O)NCCCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300012621673	1	53	0.0	-72.03	432.21	8.63	-63.40
CC1=[NH+]C=CN1CCCCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012621674	1	53	0.0	-80.86	400.23	10.85	-70.01
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012621675	1	53	0.0	-73.45	423.45	10.40	-63.05
CC1=[NH+]C=CN1CCCCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012621676	1	53	0.0	-78.07	423.53	9.38	-68.69
CC1=[NH+]C=CN1CCCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012621677	1	49	0.0	-74.59	417.10	9.33	-65.26
CC1=[NH+]C=CN1CCCCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012621678	1	51	0.0	-70.51	404.67	8.34	-62.17
CC1=[NH+]C=CN1CCCCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012621679	1	50	0.0	-57.67	390.58	9.66	-48.01
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012621680	1	50	0.0	-71.73	399.83	6.33	-65.40
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCCN2C=C[NH+]=C2C)C1	REAL300012621681	1	47	0.0	-75.12	386.96	9.36	-65.76
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012621682	1	50	0.0	-75.80	383.01	8.86	-66.94
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012621683	1	47	0.0	-76.64	367.43	8.21	-68.43
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012621684	1	50	0.0	-75.88	388.69	8.60	-67.28
CC1=[NH+]C=CN1CCCCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012621685	1	52	0.0	-71.11	413.88	11.33	-59.78
CC1=[NH+]C=CN1CCCCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012621686	1	56	0.0	-57.54	419.64	10.64	-46.90
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012621687	1	49	0.0	-71.76	381.27	7.82	-63.94
CO[C@H](C)[C@H](NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621688	1	46	0.0	-71.85	374.46	5.50	-66.35
CC1=[NH+]C=CN1CCCCNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012621689	1	46	0.0	-78.70	367.91	8.01	-70.69
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012621690	1	49	0.0	-59.01	401.87	11.08	-47.93
CC1=[NH+]C=CN1CCCCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012621691	1	49	0.0	-57.69	383.52	8.97	-48.72
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012621692	1	50	0.0	-56.67	407.57	10.87	-45.80
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012621693	1	46	0.0	-77.90	365.87	9.27	-68.63
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012621694	1	43	0.0	-80.03	355.36	8.31	-71.72
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012621695	1	49	0.0	-74.56	409.79	9.35	-65.21
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012621696	1	46	0.0	-71.94	394.20	8.21	-63.73
CC1=[NH+]C=CN1CCCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012621697	1	46	0.0	-69.86	372.88	8.85	-61.01
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012621698	1	50	0.0	-76.41	408.13	9.01	-67.40
CC1=[NH+]C=CN1CCCCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012621699	1	54	0.0	-75.86	431.95	10.63	-65.23
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012621700	1	46	0.0	-71.94	394.20	8.21	-63.73
CC1=[NH+]C=CN1CCCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012621701	1	50	0.0	-80.70	382.62	9.33	-71.37
COCCCC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621702	1	49	0.0	-70.03	399.29	6.11	-63.92
CCCC(C(=O)[O-])N(C)C(=O)NCCCCN1C=C[NH+]=C1C	REAL300012621703	1	48	0.0	-67.52	376.82	9.18	-58.34
CCOCC(NC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300012621704	1	46	0.0	-72.54	378.17	5.47	-67.07
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012621705	1	51	0.0	-71.98	395.53	8.72	-63.26
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012621706	1	50	0.0	-74.05	396.18	6.81	-67.24
CC1=[NH+]C=CN1CCCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012621707	1	50	0.0	-75.33	399.05	9.51	-65.82
CC1=[NH+]C=CN1CCCCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012621708	1	47	0.0	-79.80	366.40	7.75	-72.05
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012621709	1	49	0.0	-72.17	386.53	9.15	-63.02
CC1=[NH+]C=CN1CCCCNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012621710	1	43	0.0	-71.63	365.79	6.77	-64.86
CC1=[NH+]C=CN1CCCCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012621711	1	60	0.0	-76.10	437.49	10.37	-65.73
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012621712	1	52	0.0	-76.22	433.04	9.59	-66.63
CC1=[NH+]C=CN1CCCCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012621713	1	46	0.0	-61.41	377.91	8.97	-52.44
CC1=[NH+]C=CN1CCCCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012621714	1	57	0.0	-79.88	417.01	9.76	-70.12
CC1=[NH+]C=CN1CCCCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012621715	1	48	0.0	-71.63	414.95	8.00	-63.63
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCCN2C=C[NH+]=C2C)C1	REAL300012621716	1	50	0.0	-78.24	399.58	7.85	-70.39
CCC1=NN=CN1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012621842	0	55	0.0	-63.45	424.52	7.87	-55.58
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623221	1	57	0.0	-76.55	444.18	9.94	-66.61
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623221	1	57	0.0	-75.26	445.32	10.13	-65.13
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623222	1	55	0.0	-63.23	437.53	9.79	-53.44
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623222	1	55	0.0	-63.66	438.39	9.91	-53.75
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@H+](C)CC2=CC=CO2)C(C(=O)[O-])C1	REAL300012623223	1	58	0.0	-75.52	428.70	12.75	-62.77
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@@H+](C)CC2=CC=CO2)C(C(=O)[O-])C1	REAL300012623223	1	58	0.0	-77.84	430.64	12.08	-65.76
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623224	1	54	0.0	-63.58	425.43	11.21	-52.37
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623224	1	54	0.0	-63.83	426.28	11.33	-52.50
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C1CCC1	REAL300012623225	1	58	0.0	-65.66	437.74	11.61	-54.05
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C1CCC1	REAL300012623225	1	58	0.0	-36.52	429.72	12.40	-24.12
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623226	1	54	0.0	-76.89	423.04	9.20	-67.69
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623226	1	54	0.0	-63.55	418.30	9.17	-54.38
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012623227	1	55	0.0	-76.51	415.18	12.62	-63.89
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012623227	1	55	0.0	-80.11	417.15	11.89	-68.22
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012623228	1	58	0.0	-67.71	435.76	10.84	-56.87
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012623228	1	58	0.0	-67.32	436.38	10.95	-56.37
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCCC1C(=O)[O-]	REAL300012623229	1	52	0.0	-82.79	405.05	10.54	-72.25
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCCC1C(=O)[O-]	REAL300012623229	1	52	0.0	-80.76	405.60	10.66	-70.10
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012623230	1	55	0.0	-67.97	421.00	9.75	-58.22
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012623230	1	55	0.0	-67.61	421.94	9.84	-57.77
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC(=O)[O-]	REAL300012623231	1	45	0.0	-59.01	362.34	7.60	-51.41
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC(=O)[O-]	REAL300012623231	1	45	0.0	-60.59	364.23	6.91	-53.68
CCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623232	1	51	0.0	-63.99	406.00	8.64	-55.35
CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623232	1	51	0.0	-64.43	406.85	8.76	-55.67
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623233	1	54	0.0	-76.89	423.04	9.20	-67.69
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623233	1	54	0.0	-63.55	418.30	9.17	-54.38
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623234	1	48	0.0	-63.35	382.12	9.47	-53.88
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623234	1	48	0.0	-63.72	382.97	9.60	-54.12
CC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623235	1	48	0.0	-58.35	383.10	8.38	-49.97
CC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623235	1	48	0.0	-59.25	385.02	7.74	-51.51
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623236	1	57	0.0	-77.75	440.98	9.83	-67.92
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623236	1	57	0.0	-76.26	441.83	9.96	-66.30
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623237	1	48	0.0	-63.35	382.12	9.47	-53.88
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623237	1	48	0.0	-63.72	382.97	9.60	-54.12
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012623238	1	55	0.0	-76.51	415.18	12.62	-63.89
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012623238	1	55	0.0	-80.11	417.15	11.89	-68.22
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623239	1	57	0.0	-76.58	431.63	9.75	-66.83
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623239	1	57	0.0	-74.83	432.49	9.89	-64.94
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623240	1	54	0.0	-63.20	415.51	10.71	-52.49
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623240	1	54	0.0	-62.90	414.48	10.82	-52.08
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012623241	1	52	0.0	-63.39	409.12	10.82	-52.57
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012623241	1	52	0.0	-63.87	409.71	10.96	-52.91
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623242	1	52	0.0	-59.01	412.24	11.68	-47.33
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623242	1	52	0.0	-63.45	417.59	11.14	-52.31
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623243	1	57	0.0	-63.81	440.40	11.70	-52.11
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623243	1	57	0.0	-63.48	440.69	11.64	-51.84
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C)(C)C(=O)[O-]	REAL300012623244	1	51	0.0	-59.39	396.74	8.01	-51.38
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C)(C)C(=O)[O-]	REAL300012623244	1	51	0.0	-59.93	397.60	8.14	-51.79
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012623245	1	55	0.0	-65.53	419.63	9.77	-55.76
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012623245	1	55	0.0	-65.34	420.48	9.89	-55.45
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012623246	1	58	0.0	-67.71	435.76	10.84	-56.87
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012623246	1	58	0.0	-67.32	436.38	10.95	-56.37
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623247	1	54	0.0	-63.20	415.51	10.71	-52.49
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623247	1	54	0.0	-62.90	414.48	10.82	-52.08
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623248	1	54	0.0	-63.58	425.43	11.21	-52.37
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623248	1	54	0.0	-63.83	426.28	11.33	-52.50
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623249	1	51	0.0	-63.30	404.24	10.43	-52.87
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623249	1	51	0.0	-63.61	404.78	10.58	-53.03
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623250	1	57	0.0	-73.00	436.13	10.38	-62.62
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623250	1	57	0.0	-74.65	436.43	9.70	-64.95
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012623251	1	55	0.0	-67.97	421.00	9.75	-58.22
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012623251	1	55	0.0	-67.61	421.94	9.84	-57.77
CCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623252	1	54	0.0	-76.23	410.14	9.00	-67.23
CCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623252	1	54	0.0	-74.52	410.99	9.13	-65.39
C[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623253	1	48	0.0	-61.71	380.33	8.27	-53.44
C[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623253	1	48	0.0	-63.03	384.87	7.75	-55.28
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623254	1	51	0.0	-63.30	404.24	10.43	-52.87
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623254	1	51	0.0	-63.61	404.78	10.58	-53.03
C[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623255	1	48	0.0	-59.24	383.42	8.36	-50.88
C[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623255	1	48	0.0	-59.83	385.35	7.69	-52.14
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC1	REAL300012623256	1	49	0.0	-68.19	389.32	9.63	-58.56
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC1	REAL300012623256	1	49	0.0	-78.58	391.18	8.95	-69.63
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012623257	1	53	0.0	-73.14	405.60	10.05	-63.09
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012623257	1	53	0.0	-75.60	408.08	9.37	-66.23
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012623258	1	52	0.0	-65.11	412.37	9.14	-55.97
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012623258	1	52	0.0	-65.60	413.23	9.25	-56.35
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623259	1	55	0.0	-63.52	435.31	9.63	-53.89
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623259	1	55	0.0	-64.11	436.16	9.76	-54.35
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012623260	1	52	0.0	-70.66	405.74	10.24	-60.42
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012623260	1	52	0.0	-70.40	406.38	10.36	-60.04
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012623261	1	55	0.0	-77.31	415.98	11.56	-65.75
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012623261	1	55	0.0	-77.49	416.41	11.63	-65.86
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623262	1	51	0.0	-60.73	396.27	9.63	-51.10
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623262	1	51	0.0	-61.95	396.82	9.68	-52.27
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012623263	1	52	0.0	-82.69	405.19	10.43	-72.26
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012623263	1	52	0.0	-80.76	405.67	10.66	-70.10
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC1	REAL300012623264	1	52	0.0	-64.62	403.36	9.76	-54.86
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC1	REAL300012623264	1	52	0.0	-69.45	408.07	9.45	-60.00
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623265	1	52	0.0	-75.19	418.48	9.09	-66.10
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623265	1	52	0.0	-73.80	419.33	9.22	-64.58
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012623266	1	55	0.0	-83.84	422.14	11.09	-72.75
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012623266	1	55	0.0	-81.51	422.68	11.23	-70.28
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012623267	1	58	0.0	-84.60	430.26	12.17	-72.43
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012623267	1	58	0.0	-82.95	429.77	12.31	-70.64
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012623268	1	52	0.0	-65.11	412.37	9.14	-55.97
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012623268	1	52	0.0	-65.60	413.23	9.25	-56.35
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623269	1	51	0.0	-60.91	397.02	9.70	-51.21
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623269	1	51	0.0	-70.74	396.94	9.83	-60.91
CCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623270	1	57	0.0	-63.19	448.75	10.24	-52.95
CCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623270	1	57	0.0	-64.31	449.85	10.30	-54.01
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012623271	1	55	0.0	-83.82	422.12	11.08	-72.74
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012623271	1	55	0.0	-81.51	422.77	11.18	-70.33
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012623272	1	58	0.0	-59.36	438.72	12.80	-46.56
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012623272	1	58	0.0	-44.43	435.05	11.93	-32.50
COCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623273	1	52	0.0	-73.24	416.27	7.63	-65.61
COCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623273	1	52	0.0	-76.06	418.22	6.99	-69.07
CN(C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C1(C(=O)[O-])CCCC1	REAL300012623274	1	58	0.0	-85.03	430.90	11.46	-73.57
CN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C1(C(=O)[O-])CCCC1	REAL300012623274	1	58	0.0	-82.55	432.39	11.55	-71.00
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C1CC1	REAL300012623275	1	55	0.0	-60.55	414.78	10.70	-49.85
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C1CC1	REAL300012623275	1	55	0.0	-61.32	415.71	10.84	-50.48
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C1CC1	REAL300012623276	1	58	0.0	-46.63	442.22	12.12	-34.51
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C1CC1	REAL300012623276	1	58	0.0	-76.17	437.79	12.28	-63.89
COCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623277	1	55	0.0	-80.71	428.38	8.28	-72.43
COCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623277	1	55	0.0	-78.83	429.23	8.41	-70.42
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623278	1	57	0.0	-63.81	440.40	11.70	-52.11
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623278	1	57	0.0	-63.48	440.69	11.64	-51.84
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012623279	1	52	0.0	-63.39	409.12	10.82	-52.57
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012623279	1	52	0.0	-63.87	409.71	10.96	-52.91
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012623280	1	53	0.0	-71.30	409.46	7.95	-63.35
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012623280	1	53	0.0	-73.18	412.52	7.25	-65.93
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623281	1	55	0.0	-63.00	440.07	10.02	-52.98
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623281	1	55	0.0	-63.32	440.92	10.15	-53.17
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(CF)C(=O)[O-]	REAL300012623282	1	48	0.0	-59.97	387.79	7.62	-52.35
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(CF)C(=O)[O-]	REAL300012623282	1	48	0.0	-59.77	388.48	7.78	-51.99
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623283	1	51	0.0	-60.91	397.02	9.70	-51.21
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623283	1	51	0.0	-70.74	396.94	9.83	-60.91
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623284	1	57	0.0	-64.98	426.52	9.90	-55.08
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623284	1	57	0.0	-64.73	427.37	10.03	-54.70
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623285	1	57	0.0	-63.13	434.65	11.78	-51.35
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623285	1	57	0.0	-63.38	435.50	11.91	-51.47
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012623286	1	55	0.0	-76.40	437.60	10.19	-66.21
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012623286	1	55	0.0	-64.28	438.97	10.19	-54.09
COCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623287	1	55	0.0	-63.38	439.43	7.76	-55.62
COCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623287	1	55	0.0	-64.37	440.53	7.82	-56.55
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012623288	1	51	0.0	-64.14	418.35	8.92	-55.22
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012623288	1	51	0.0	-63.60	418.96	9.11	-54.49
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(C)C(=O)[O-]	REAL300012623289	1	57	0.0	-81.44	437.50	12.11	-69.33
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(C)C(=O)[O-]	REAL300012623289	1	57	0.0	-65.96	435.92	11.31	-54.65
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012623290	1	51	0.0	-62.81	412.59	8.78	-54.03
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012623290	1	51	0.0	-62.49	413.20	8.96	-53.53
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012623291	1	54	0.0	-73.57	416.72	9.15	-64.42
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012623291	1	54	0.0	-71.80	417.58	9.27	-62.53
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623292	1	51	0.0	-71.82	396.09	9.70	-62.12
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623292	1	51	0.0	-70.77	396.82	9.76	-61.01
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012623293	1	53	0.0	-84.50	408.24	11.43	-73.07
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012623293	1	53	0.0	-81.40	413.01	11.28	-70.12
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012623294	1	57	0.0	-76.56	435.48	9.74	-66.82
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012623294	1	57	0.0	-75.09	436.02	9.88	-65.21
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623295	1	55	0.0	-76.41	439.02	9.84	-66.57
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623295	1	55	0.0	-75.15	440.70	9.95	-65.20
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012623296	1	56	0.0	-85.20	425.89	12.07	-73.13
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012623296	1	56	0.0	-84.56	427.71	12.11	-72.45
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012623297	1	52	0.0	-81.42	411.49	10.64	-70.78
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012623297	1	52	0.0	-79.25	412.11	10.76	-68.49
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+](C)CC2=CC=CO2)C1	REAL300012623298	1	53	0.0	-82.84	419.19	10.62	-72.22
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+](C)CC2=CC=CO2)C1	REAL300012623298	1	53	0.0	-80.73	419.82	10.73	-70.00
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623299	1	57	0.0	-76.55	444.18	9.94	-66.61
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623299	1	57	0.0	-75.26	445.32	10.13	-65.13
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012623300	1	55	0.0	-76.40	437.60	10.19	-66.21
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012623300	1	55	0.0	-64.28	438.97	10.19	-54.09
CSCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623301	1	52	0.0	-71.35	428.79	9.07	-62.28
CSCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623301	1	52	0.0	-70.42	429.65	9.20	-61.22
COC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623302	1	52	0.0	-73.50	416.76	7.64	-65.86
COC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623302	1	52	0.0	-76.06	418.22	6.99	-69.07
CC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623303	1	51	0.0	-76.25	406.00	8.63	-67.62
CC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623303	1	51	0.0	-75.00	406.85	8.77	-66.23
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623304	1	58	0.0	-64.05	461.81	10.75	-53.30
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623304	1	58	0.0	-63.62	462.42	10.93	-52.69
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012623305	1	52	0.0	-70.66	405.74	10.24	-60.42
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012623305	1	52	0.0	-70.40	406.38	10.36	-60.04
CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623306	1	54	0.0	-63.96	427.50	9.40	-54.56
CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623306	1	54	0.0	-64.35	428.35	9.52	-54.83
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623307	1	54	0.0	-64.21	418.11	8.96	-55.25
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623307	1	54	0.0	-63.15	421.99	9.36	-53.79
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012623308	1	56	0.0	-80.14	422.32	12.86	-67.28
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012623308	1	56	0.0	-83.98	427.12	12.19	-71.79
CCN(C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(C)(C)C(=O)[O-]	REAL300012623309	1	57	0.0	-67.78	430.52	11.43	-56.35
CCN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(C)(C)C(=O)[O-]	REAL300012623309	1	57	0.0	-66.98	431.52	11.52	-55.46
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(C)C(=O)[O-]	REAL300012623310	1	57	0.0	-81.44	437.50	12.11	-69.33
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(C)C(=O)[O-]	REAL300012623310	1	57	0.0	-65.96	435.92	11.31	-54.65
CN(C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(C)(C)C(=O)[O-]	REAL300012623311	1	54	0.0	-67.86	410.69	10.58	-57.28
CN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(C)(C)C(=O)[O-]	REAL300012623311	1	54	0.0	-67.10	412.08	10.65	-56.45
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012623312	1	52	0.0	-82.69	405.19	10.43	-72.26
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012623312	1	52	0.0	-80.76	405.67	10.66	-70.10
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012623313	1	53	0.0	-71.78	417.01	6.85	-64.93
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012623313	1	53	0.0	-71.59	417.60	6.97	-64.62
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623314	1	54	0.0	-63.26	427.50	9.46	-53.80
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623314	1	54	0.0	-63.65	428.10	9.59	-54.06
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623315	1	55	0.0	-63.00	440.07	10.02	-52.98
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623315	1	55	0.0	-63.32	440.92	10.15	-53.17
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012623316	1	55	0.0	-69.65	421.80	11.10	-58.55
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012623316	1	55	0.0	-69.34	422.78	11.21	-58.13
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623317	1	54	0.0	-72.04	417.29	9.74	-62.30
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623317	1	54	0.0	-73.77	421.02	9.29	-64.48
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623318	1	51	0.0	-71.82	396.09	9.70	-62.12
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623318	1	51	0.0	-70.77	396.82	9.76	-61.01
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623319	1	54	0.0	-76.29	427.81	9.40	-66.89
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623319	1	54	0.0	-74.42	427.51	9.53	-64.89
CCN(C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(C)C(=O)[O-]	REAL300012623320	1	54	0.0	-72.95	412.91	10.57	-62.38
CCN(C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(C)C(=O)[O-]	REAL300012623320	1	54	0.0	-72.64	415.81	10.68	-61.96
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012623321	1	58	0.0	-59.36	438.72	12.80	-46.56
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012623321	1	58	0.0	-44.43	435.05	11.93	-32.50
CC(CN(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623322	1	54	0.0	-72.90	417.22	10.13	-62.77
CC(CN(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623322	1	54	0.0	-71.33	417.20	10.24	-61.09
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623323	1	57	0.0	-73.00	436.13	10.38	-62.62
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623323	1	57	0.0	-74.65	436.43	9.70	-64.95
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623324	1	54	0.0	-71.92	417.21	10.68	-61.24
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623324	1	54	0.0	-72.12	417.28	10.75	-61.37
CC1CCC(NC(=O)NCC2=CC=CC=C2C[N@H+](C)CC2=CC=CO2)(C(=O)[O-])C1	REAL300012623325	1	58	0.0	-68.47	442.06	10.38	-58.09
CC1CCC(NC(=O)NCC2=CC=CC=C2C[N@@H+](C)CC2=CC=CO2)(C(=O)[O-])C1	REAL300012623325	1	58	0.0	-67.96	442.94	10.49	-57.47
COCCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623326	1	55	0.0	-63.38	439.43	7.76	-55.62
COCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623326	1	55	0.0	-64.37	440.53	7.82	-56.55
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012623327	1	58	0.0	-65.08	439.98	11.52	-53.56
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012623327	1	58	0.0	-69.80	444.41	11.17	-58.63
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012623328	1	55	0.0	-64.75	427.46	9.98	-54.77
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012623328	1	55	0.0	-65.13	428.31	10.10	-55.03
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012623329	1	53	0.0	-75.52	415.72	7.03	-68.49
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012623329	1	53	0.0	-75.34	416.32	7.15	-68.19
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012623330	1	56	0.0	-87.07	426.95	11.57	-75.50
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012623330	1	56	0.0	-84.87	427.33	11.81	-73.06
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012623331	1	54	0.0	-78.02	417.80	9.58	-68.44
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012623331	1	54	0.0	-75.87	420.24	9.50	-66.37
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+](C)CC2=CC=CO2)C1	REAL300012623332	1	58	0.0	-76.06	436.10	13.23	-62.83
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+](C)CC2=CC=CO2)C1	REAL300012623332	1	58	0.0	-78.44	437.96	12.55	-65.89
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012623333	1	55	0.0	-63.58	425.67	9.59	-53.99
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012623333	1	55	0.0	-63.97	431.72	9.81	-54.16
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012623334	1	55	0.0	-63.58	425.67	9.59	-53.99
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012623334	1	55	0.0	-63.97	431.72	9.81	-54.16
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@H+](C)CC2=CC=CO2)C1C(=O)[O-]	REAL300012623335	1	55	0.0	-71.19	420.93	10.70	-60.49
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@@H+](C)CC2=CC=CO2)C1C(=O)[O-]	REAL300012623335	1	55	0.0	-70.80	421.80	10.79	-60.01
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623336	1	52	0.0	-75.19	418.48	9.09	-66.10
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623336	1	52	0.0	-73.80	419.33	9.22	-64.58
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012623337	1	56	0.0	-39.53	425.49	11.39	-28.14
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012623337	1	56	0.0	-42.10	426.00	11.64	-30.46
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623338	1	58	0.0	-68.35	435.25	11.81	-56.54
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623338	1	58	0.0	-69.42	438.51	12.36	-57.06
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])COC1	REAL300012623339	1	50	0.0	-60.00	394.32	6.81	-53.19
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])COC1	REAL300012623339	1	50	0.0	-64.45	398.86	6.49	-57.96
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623340	1	57	0.0	-65.03	426.87	9.69	-55.34
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623340	1	57	0.0	-64.28	425.91	9.76	-54.52
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012623341	1	53	0.0	-77.65	411.87	11.61	-66.04
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012623341	1	53	0.0	-78.43	413.04	11.85	-66.58
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012623342	1	56	0.0	-71.94	428.35	11.31	-60.63
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012623342	1	56	0.0	-71.49	428.94	11.42	-60.07
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623343	1	57	0.0	-61.31	430.71	11.44	-49.87
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623343	1	57	0.0	-62.03	431.06	11.47	-50.56
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012623344	1	52	0.0	-81.42	411.49	10.64	-70.78
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012623344	1	52	0.0	-79.25	412.11	10.76	-68.49
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012623345	1	54	0.0	-60.79	420.61	11.30	-49.49
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012623345	1	54	0.0	-61.20	421.74	11.48	-49.72
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012623346	1	58	0.0	-72.03	440.89	11.19	-60.84
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012623346	1	58	0.0	-71.54	441.84	11.28	-60.26
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012623347	1	56	0.0	-83.72	428.49	10.58	-73.14
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012623347	1	56	0.0	-81.46	429.34	10.70	-70.76
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012623348	1	58	0.0	-63.88	442.16	10.23	-53.65
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012623348	1	58	0.0	-65.46	450.28	10.48	-54.98
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623349	1	55	0.0	-77.68	436.25	7.88	-69.80
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623349	1	55	0.0	-76.34	436.72	8.06	-68.28
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623350	1	55	0.0	-69.09	428.00	11.17	-57.92
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623350	1	55	0.0	-72.52	429.93	10.48	-62.04
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012623351	1	58	0.0	-39.33	442.69	11.16	-28.17
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012623351	1	58	0.0	-42.00	443.68	11.39	-30.61
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623352	1	57	0.0	-73.48	437.88	11.56	-61.92
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623352	1	57	0.0	-72.42	438.77	11.53	-60.89
CCOCC(NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623353	1	55	0.0	-73.81	438.62	8.62	-65.19
CCOCC(NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300012623353	1	55	0.0	-76.75	440.56	7.97	-68.78
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012623354	1	52	0.0	-65.31	426.85	9.14	-56.17
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012623354	1	52	0.0	-65.46	427.73	9.25	-56.21
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300012623355	1	51	0.0	-60.73	396.27	9.63	-51.10
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300012623355	1	51	0.0	-61.95	396.82	9.68	-52.27
COCCC[N@H+](C)CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012623356	0	50	0.0	-73.64	386.19	5.03	-68.61
COCCC[N@@H+](C)CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012623356	1	50	0.0	-74.30	386.40	4.97	-69.33
C=CCOCC(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623357	0	49	0.0	-75.76	394.22	3.46	-72.30
C=CCOCC(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623357	1	49	0.0	-75.66	394.22	3.47	-72.19
C=CC(C)C(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623358	0	48	0.0	-71.62	376.56	4.72	-66.90
C=CC(C)C(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623358	1	48	0.0	-73.34	379.27	4.78	-68.56
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012623359	0	52	0.0	-77.57	392.81	3.40	-74.17
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012623359	1	52	0.0	-77.69	392.81	3.41	-74.28
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012623360	0	48	0.0	-69.07	395.98	5.85	-63.22
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012623360	1	48	0.0	-69.87	396.58	5.83	-64.04
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012623361	0	48	0.0	-68.91	405.87	6.30	-62.61
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012623361	1	48	0.0	-69.03	405.87	6.31	-62.72
COCCC[N@H+](C)CCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012623362	0	52	0.0	-82.82	387.92	5.65	-77.17
COCCC[N@@H+](C)CCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012623362	1	52	0.0	-82.81	387.92	5.65	-77.16
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012623363	0	52	0.0	-72.26	391.63	3.52	-68.74
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012623363	1	52	0.0	-73.15	392.21	3.45	-69.70
COCCC[N@H+](C)CCNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012623364	0	51	0.0	-81.57	371.42	6.87	-74.70
COCCC[N@@H+](C)CCNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012623364	1	51	0.0	-81.59	371.42	6.87	-74.72
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012623365	0	51	0.0	-71.80	410.38	6.49	-65.31
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012623365	1	51	0.0	-71.50	410.02	6.44	-65.06
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012623366	0	53	0.0	-74.14	419.57	5.62	-68.52
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012623366	1	53	0.0	-74.16	419.57	5.63	-68.53
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012623367	0	54	0.0	-75.31	426.50	7.11	-68.20
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012623367	1	54	0.0	-75.15	426.50	7.11	-68.04
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012623368	0	54	0.0	-75.04	421.70	6.93	-68.11
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012623368	1	54	0.0	-75.91	422.29	6.92	-68.99
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012623369	0	52	0.0	-75.00	429.42	5.55	-69.45
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012623369	1	52	0.0	-72.78	429.40	5.57	-67.21
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012623370	0	54	0.0	-75.10	413.90	6.73	-68.37
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012623370	1	54	0.0	-74.27	412.95	6.72	-67.55
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012623371	0	52	0.0	-75.79	419.61	5.06	-70.73
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012623371	1	52	0.0	-73.17	419.59	5.09	-68.08
COCCC[N@H+](C)CCNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012623372	0	51	0.0	-62.77	379.76	6.59	-56.18
COCCC[N@@H+](C)CCNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012623372	1	51	0.0	-49.75	375.47	7.36	-42.39
CCCN(C(=O)NCC[N@H+](C)CCCOC)C(COC)C(=O)[O-]	REAL300012623373	0	54	0.0	-73.06	404.75	5.81	-67.25
CCCN(C(=O)NCC[N@@H+](C)CCCOC)C(COC)C(=O)[O-]	REAL300012623373	1	54	0.0	-73.20	404.76	5.79	-67.41
CCCN(C(=O)NCC[N@H+](C)CCCOC)C(CC)C(=O)[O-]	REAL300012623374	0	53	0.0	-64.64	393.41	7.16	-57.48
CCCN(C(=O)NCC[N@@H+](C)CCCOC)C(CC)C(=O)[O-]	REAL300012623374	1	53	0.0	-71.94	393.94	7.16	-64.78
COCCC[N@H+](C)CCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012623375	0	48	0.0	-82.86	357.82	6.81	-76.05
COCCC[N@@H+](C)CCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012623375	1	48	0.0	-82.95	357.83	6.80	-76.15
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012623376	0	48	0.0	-71.08	400.00	6.24	-64.84
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012623376	1	48	0.0	-71.17	400.00	6.26	-64.91
COCCC[N@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012623377	0	46	0.0	-80.17	357.40	6.55	-73.62
COCCC[N@@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012623377	1	46	0.0	-80.64	357.65	6.67	-73.97
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012623378	0	51	0.0	-76.86	377.26	5.83	-71.03
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012623378	1	51	0.0	-76.68	377.25	5.84	-70.84
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012623379	0	48	0.0	-77.04	362.74	4.75	-72.29
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012623379	1	48	0.0	-77.36	362.16	4.70	-72.66
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012623380	0	54	0.0	-77.64	382.91	6.51	-71.13
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012623380	1	54	0.0	-77.45	382.91	6.51	-70.94
COCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012623381	0	51	0.0	-75.59	406.17	6.65	-68.94
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012623381	1	51	0.0	-75.43	406.17	6.65	-68.78
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012623382	0	51	0.0	-58.71	404.66	8.44	-50.27
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012623382	1	51	0.0	-58.90	404.67	8.45	-50.45
COCCC[N@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012623383	0	48	0.0	-74.59	383.67	5.79	-68.80
COCCC[N@@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012623383	1	48	0.0	-74.94	383.92	5.70	-69.24
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012623384	0	48	0.0	-75.03	383.89	5.71	-69.32
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012623384	1	48	0.0	-75.07	383.87	5.71	-69.36
COCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012623385	0	51	0.0	-75.59	406.17	6.65	-68.94
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012623385	1	51	0.0	-75.43	406.17	6.65	-68.78
CCC(C)C(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623386	0	50	0.0	-74.96	382.72	4.84	-70.12
CCC(C)C(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623386	1	50	0.0	-74.72	378.98	4.59	-70.13
COCCC[N@H+](C)CCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012623387	0	48	0.0	-82.86	357.82	6.81	-76.05
COCCC[N@@H+](C)CCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012623387	1	48	0.0	-82.95	357.83	6.80	-76.15
CCCC(C)(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623388	0	50	0.0	-72.91	373.37	4.77	-68.14
CCCC(C)(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623388	1	50	0.0	-73.12	373.38	4.75	-68.37
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012623389	0	50	0.0	-58.14	381.58	6.50	-51.64
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012623389	1	50	0.0	-58.33	381.58	6.51	-51.82
COCCC[N@H+](C)CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012623390	0	52	0.0	-82.48	395.44	8.69	-73.79
COCCC[N@@H+](C)CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012623390	1	52	0.0	-83.30	395.82	8.76	-74.54
COCCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012623391	0	48	0.0	-74.67	361.37	4.76	-69.91
COCCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012623391	1	48	0.0	-74.49	361.37	4.77	-69.72
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012623392	0	45	0.0	-72.49	374.90	4.80	-67.69
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012623392	1	45	0.0	-73.25	375.49	4.80	-68.45
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012623393	0	51	0.0	-76.86	377.26	5.83	-71.03
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012623393	1	51	0.0	-76.68	377.25	5.84	-70.84
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012623394	0	51	0.0	-56.81	421.40	8.96	-47.85
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012623394	1	51	0.0	-56.94	421.40	8.96	-47.98
COCCC[N@H+](C)CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012623395	0	55	0.0	-75.97	435.22	6.73	-69.24
COCCC[N@@H+](C)CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012623395	1	55	0.0	-75.27	434.40	6.72	-68.55
CC[C@H](C)[C@H](NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623396	0	50	0.0	-73.52	377.32	4.57	-68.95
CC[C@H](C)[C@H](NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623396	1	50	0.0	-74.72	378.98	4.58	-70.14
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012623397	0	48	0.0	-77.04	362.74	4.75	-72.29
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012623397	1	48	0.0	-77.36	362.16	4.70	-72.66
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012623398	0	59	0.0	-62.19	457.60	6.75	-55.44
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300012623398	1	59	0.0	-61.36	463.66	7.06	-54.30
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012623399	0	51	0.0	-57.02	411.08	8.51	-48.51
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012623399	1	51	0.0	-57.23	411.08	8.51	-48.72
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012623400	0	52	0.0	-75.66	401.85	6.88	-68.78
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012623400	1	52	0.0	-75.60	401.86	6.88	-68.72
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012623401	0	48	0.0	-74.49	394.50	5.92	-68.57
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012623401	1	48	0.0	-75.22	394.75	5.86	-69.36
COCCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012623402	0	51	0.0	-74.83	391.70	6.49	-68.34
COCCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012623402	1	51	0.0	-74.97	391.70	6.47	-68.50
CCCCCCC(C)(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623403	0	59	0.0	-73.03	437.87	7.10	-65.93
CCCCCCC(C)(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623403	1	59	0.0	-73.23	437.87	7.08	-66.15
COCCC[N@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012623404	0	54	0.0	-73.81	415.25	8.67	-65.14
COCCC[N@@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012623404	1	54	0.0	-73.54	415.24	8.68	-64.86
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012623405	0	48	0.0	-71.08	400.00	6.24	-64.84
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012623405	1	48	0.0	-71.17	400.00	6.26	-64.91
COCCC[N@H+](C)CCNC(=O)N1CCOCC1C(=O)[O-]	REAL300012623406	0	46	0.0	-79.67	348.99	4.15	-75.52
COCCC[N@@H+](C)CCNC(=O)N1CCOCC1C(=O)[O-]	REAL300012623406	1	46	0.0	-79.65	349.00	4.15	-75.50
COCCC[N@H+](C)CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012623407	0	54	0.0	-78.68	386.51	7.15	-71.53
COCCC[N@@H+](C)CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012623407	1	54	0.0	-78.88	386.51	7.16	-71.72
COCCC[N@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012623408	0	54	0.0	-59.99	427.07	9.22	-50.77
COCCC[N@@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012623408	1	54	0.0	-60.14	427.07	9.23	-50.91
COCCC[N@H+](C)CCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012623409	0	51	0.0	-76.13	393.71	8.05	-68.08
COCCC[N@@H+](C)CCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012623409	1	51	0.0	-77.13	393.65	7.94	-69.19
COCCC[N@H+](C)CCNC(=O)N(CCOC)CC(=O)[O-]	REAL300012623410	0	48	0.0	-59.50	377.05	4.62	-54.88
COCCC[N@@H+](C)CCNC(=O)N(CCOC)CC(=O)[O-]	REAL300012623410	1	48	0.0	-59.67	377.05	4.63	-55.04
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012623411	0	52	0.0	-78.47	398.92	6.83	-71.64
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012623411	1	52	0.0	-78.32	398.61	6.81	-71.51
COCCC[N@H+](C)CCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012623412	0	48	0.0	-81.27	357.36	6.56	-74.71
COCCC[N@@H+](C)CCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012623412	1	48	0.0	-81.28	357.37	6.55	-74.73
COCCC[N@H+](C)CCNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012623413	0	48	0.0	-79.23	363.57	6.10	-73.13
COCCC[N@@H+](C)CCNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012623413	1	48	0.0	-79.39	363.57	6.10	-73.29
COCCC[N@H+](C)CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012623414	0	55	0.0	-82.26	440.06	6.59	-75.67
COCCC[N@@H+](C)CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012623414	1	55	0.0	-81.55	439.82	6.65	-74.90
COCCC[N@H+](C)CCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012623415	0	51	0.0	-78.66	372.53	7.40	-71.26
COCCC[N@@H+](C)CCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012623415	1	51	0.0	-75.15	371.56	6.83	-68.32
CCCCC(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623416	0	50	0.0	-73.24	390.50	5.25	-67.99
CCCCC(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623416	1	50	0.0	-73.97	390.73	5.18	-68.79
COCCC[N@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012623417	0	54	0.0	-59.99	427.07	9.22	-50.77
COCCC[N@@H+](C)CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012623417	1	54	0.0	-60.14	427.07	9.23	-50.91
COCCC[N@H+](C)CCNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012623418	0	48	0.0	-79.25	363.63	6.08	-73.17
COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012623418	1	48	0.0	-79.41	363.64	6.07	-73.34
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012623419	0	51	0.0	-58.03	382.02	7.01	-51.02
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012623419	1	51	0.0	-57.90	382.03	7.00	-50.90
CCCCCC(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623420	0	53	0.0	-73.24	411.99	6.03	-67.21
CCCCCC(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623420	1	53	0.0	-73.37	411.99	6.02	-67.35
CCC1CCC(NC(=O)NCC[N@H+](C)CCCOC)(C(=O)[O-])CC1	REAL300012623421	0	57	0.0	-72.42	409.98	6.38	-66.04
CCC1CCC(NC(=O)NCC[N@@H+](C)CCCOC)(C(=O)[O-])CC1	REAL300012623421	1	57	0.0	-76.87	416.32	7.08	-69.79
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012623422	0	52	0.0	-58.59	390.44	5.34	-53.25
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012623422	1	52	0.0	-58.59	390.45	5.35	-53.24
COCCC[N@H+](C)CCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012623423	0	51	0.0	-79.56	373.19	6.44	-73.12
COCCC[N@@H+](C)CCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012623423	1	51	0.0	-79.80	373.19	6.43	-73.37
COCCC[N@H+](C)CCNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012623424	0	48	0.0	-63.06	364.07	6.15	-56.91
COCCC[N@@H+](C)CCNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012623424	1	48	0.0	-63.20	364.08	6.13	-57.07
CCC(C(=O)[O-])N(C(=O)NCC[N@H+](C)CCCOC)C1CC1	REAL300012623425	0	51	0.0	-60.81	385.59	7.31	-53.50
CCC(C(=O)[O-])N(C(=O)NCC[N@@H+](C)CCCOC)C1CC1	REAL300012623425	1	51	0.0	-60.80	385.59	7.30	-53.50
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012623426	0	48	0.0	-76.76	395.86	6.13	-70.63
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012623426	1	48	0.0	-76.79	395.86	6.14	-70.65
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012623427	0	48	0.0	-80.82	388.31	5.80	-75.02
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012623427	1	48	0.0	-80.83	388.31	5.79	-75.04
COCCC[N@H+](C)CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012623428	0	52	0.0	-61.65	398.82	8.14	-53.51
COCCC[N@@H+](C)CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012623428	1	52	0.0	-61.49	398.82	8.14	-53.35
COCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012623429	0	51	0.0	-78.72	421.58	6.95	-71.77
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012623429	1	51	0.0	-78.76	420.89	6.90	-71.86
COCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012623430	0	57	0.0	-78.99	449.93	8.69	-70.30
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012623430	1	57	0.0	-78.82	449.78	8.65	-70.17
COCCC[N@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012623431	0	57	0.0	-74.12	427.82	6.89	-67.23
COCCC[N@@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012623431	1	57	0.0	-73.97	427.82	6.90	-67.07
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012623432	0	54	0.0	-56.93	416.63	9.02	-47.91
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012623432	1	54	0.0	-57.45	412.30	8.52	-48.93
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012623433	0	51	0.0	-75.12	405.33	6.39	-68.73
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012623433	1	51	0.0	-75.10	405.28	6.39	-68.71
COCCC[N@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012623434	0	44	0.0	-67.93	363.43	4.40	-63.53
COCCC[N@@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012623434	1	44	0.0	-67.75	363.43	4.41	-63.34
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012623435	0	54	0.0	-76.08	429.66	8.03	-68.05
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012623435	1	54	0.0	-76.40	429.89	7.99	-68.41
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012623436	0	49	0.0	-73.48	374.95	5.53	-67.95
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012623436	1	49	0.0	-73.24	374.95	5.54	-67.70
COCCC[N@H+](C)CCNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012623437	0	48	0.0	-77.49	370.12	3.29	-74.20
COCCC[N@@H+](C)CCNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012623437	1	48	0.0	-77.32	370.12	3.30	-74.02
CCOCC(C(=O)[O-])N(C)C(=O)NCC[N@H+](C)CCCOC	REAL300012623438	0	51	0.0	-72.01	390.12	4.95	-67.06
CCOCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+](C)CCCOC	REAL300012623438	1	51	0.0	-72.41	390.73	5.03	-67.38
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012623439	0	50	0.0	-58.14	381.58	6.50	-51.64
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012623439	1	50	0.0	-58.33	381.58	6.51	-51.82
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@H+](C)CCCOC	REAL300012623440	0	57	0.0	-56.52	432.74	9.79	-46.73
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@@H+](C)CCCOC	REAL300012623440	1	57	0.0	-54.89	424.84	8.97	-45.92
COCCC[N@H+](C)CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012623441	0	47	0.0	-59.30	385.30	6.57	-52.73
COCCC[N@@H+](C)CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012623441	1	47	0.0	-59.44	385.30	6.58	-52.86
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012623442	0	46	0.0	-72.80	353.26	2.13	-70.67
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012623442	1	46	0.0	-72.69	353.27	2.14	-70.55
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012623443	0	54	0.0	-75.12	400.81	5.91	-69.21
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012623443	1	54	0.0	-75.85	401.48	5.84	-70.01
COCCC[N@H+](C)CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012623444	0	55	0.0	-73.10	417.39	6.46	-66.64
COCCC[N@@H+](C)CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012623444	1	55	0.0	-73.50	416.49	6.41	-67.09
COCCC[N@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012623445	0	55	0.0	-80.32	423.00	9.62	-70.70
COCCC[N@@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012623445	1	55	0.0	-80.44	423.00	9.62	-70.82
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012623446	0	49	0.0	-76.56	368.67	3.35	-73.21
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012623446	1	49	0.0	-76.50	368.68	3.34	-73.16
C=CCCC(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623447	0	48	0.0	-73.87	382.05	4.96	-68.91
C=CCCC(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623447	1	48	0.0	-73.14	381.81	5.03	-68.11
COCCC[N@H+](C)CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012623448	0	54	0.0	-78.44	413.86	9.33	-69.11
COCCC[N@@H+](C)CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012623448	1	54	0.0	-50.16	413.56	9.53	-40.63
CCC(CC)(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623449	0	50	0.0	-73.95	368.55	4.90	-69.05
CCC(CC)(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623449	1	50	0.0	-74.03	368.27	4.89	-69.14
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012623450	0	52	0.0	-74.20	412.76	5.01	-69.19
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012623450	1	52	0.0	-74.30	412.76	5.03	-69.27
CCC(C)N(CC(=O)[O-])C(=O)NCC[N@H+](C)CCCOC	REAL300012623451	0	50	0.0	-58.20	376.39	6.78	-51.42
CCC(C)N(CC(=O)[O-])C(=O)NCC[N@@H+](C)CCCOC	REAL300012623451	1	50	0.0	-58.00	376.39	6.77	-51.23
CCC(COC)(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623452	0	51	0.0	-78.61	386.56	4.21	-74.40
CCC(COC)(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623452	1	51	0.0	-78.77	386.56	4.20	-74.57
COCCC[N@H+](C)CCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012623453	0	54	0.0	-72.49	411.01	5.78	-66.71
COCCC[N@@H+](C)CCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012623453	1	54	0.0	-72.49	410.39	5.70	-66.79
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012623454	0	51	0.0	-78.86	393.80	1.83	-77.03
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012623454	1	51	0.0	-78.75	393.80	1.84	-76.91
COCCC[N@H+](C)CCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012623455	0	48	0.0	-73.98	379.86	5.05	-68.93
COCCC[N@@H+](C)CCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012623455	1	48	0.0	-73.26	379.62	5.13	-68.13
COCCC[N@H+](C)CCNC(=O)NC(CCOC)C(=O)[O-]	REAL300012623456	0	48	0.0	-74.41	381.41	2.70	-71.71
COCCC[N@@H+](C)CCNC(=O)NC(CCOC)C(=O)[O-]	REAL300012623456	1	48	0.0	-74.24	381.41	2.70	-71.54
COCCC[N@H+](C)CCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012623457	0	53	0.0	-72.22	398.47	7.18	-65.04
COCCC[N@@H+](C)CCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012623457	1	53	0.0	-70.99	397.08	7.12	-63.87
COCCC[N@H+](C)CCNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012623458	0	44	0.0	-73.49	359.85	3.98	-69.51
COCCC[N@@H+](C)CCNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012623458	1	44	0.0	-73.38	359.85	3.99	-69.39
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+](C)CCCOC	REAL300012623459	0	54	0.0	-81.96	398.34	8.05	-73.91
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+](C)CCCOC	REAL300012623459	1	54	0.0	-82.18	398.34	8.06	-74.12
CCCN(C(=O)NCC[N@H+](C)CCCOC)C(C)C(=O)[O-]	REAL300012623460	0	50	0.0	-51.39	377.76	7.13	-44.26
CCCN(C(=O)NCC[N@@H+](C)CCCOC)C(C)C(=O)[O-]	REAL300012623460	1	50	0.0	-77.12	380.37	6.99	-70.13
COCCC[N@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012623461	0	54	0.0	-50.62	415.36	9.55	-41.07
COCCC[N@@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012623461	1	54	0.0	-50.56	416.27	9.32	-41.24
CCC(NC(=O)NCC[N@H+](C)CCCOC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012623462	0	54	0.0	-72.60	425.40	7.91	-64.69
CCC(NC(=O)NCC[N@@H+](C)CCCOC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012623462	1	54	0.0	-72.73	425.40	7.89	-64.84
CCC(NC(=O)NCC[N@H+](C)CCCOC)(C(=O)[O-])C1=CC=CC=C1	REAL300012623463	0	54	0.0	-75.52	408.67	7.39	-68.13
CCC(NC(=O)NCC[N@@H+](C)CCCOC)(C(=O)[O-])C1=CC=CC=C1	REAL300012623463	1	54	0.0	-75.51	408.57	7.34	-68.17
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012623464	0	58	0.0	-77.12	436.93	5.11	-72.01
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012623464	1	58	0.0	-78.77	433.26	4.92	-73.85
COCCC[N@H+](C)CCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012623465	0	55	0.0	-75.98	419.48	4.63	-71.35
COCCC[N@@H+](C)CCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012623465	1	55	0.0	-75.80	419.48	4.63	-71.17
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012623466	0	52	0.0	-58.59	390.44	5.34	-53.25
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012623466	1	52	0.0	-58.59	390.45	5.35	-53.24
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012623467	0	54	0.0	-58.44	399.38	7.70	-50.74
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012623467	1	54	0.0	-58.36	399.40	7.72	-50.64
COCCC[N@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012623468	0	54	0.0	-77.05	391.05	6.21	-70.84
COCCC[N@@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012623468	1	54	0.0	-77.06	391.06	6.21	-70.85
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012623469	0	52	0.0	-77.34	413.40	4.99	-72.35
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012623469	1	52	0.0	-77.31	413.42	4.99	-72.32
COCCC[N@H+](C)CCNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012623470	0	47	0.0	-70.22	358.47	4.14	-66.08
COCCC[N@@H+](C)CCNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012623470	1	47	0.0	-70.07	358.46	4.15	-65.92
COCCC[N@H+](C)CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012623471	0	49	0.0	-64.03	380.66	6.19	-57.84
COCCC[N@@H+](C)CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012623471	1	49	0.0	-64.16	380.65	6.19	-57.97
COCCC[N@H+](C)CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012623472	0	45	0.0	-74.16	360.25	5.40	-68.76
COCCC[N@@H+](C)CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012623472	1	45	0.0	-74.93	361.62	5.29	-69.64
COCCC[N@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012623473	0	52	0.0	-76.70	412.79	5.03	-71.67
COCCC[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012623473	1	52	0.0	-77.49	413.37	5.00	-72.49
COCCC[N@H+](C)CCNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012623474	0	54	0.0	-81.57	412.53	7.40	-74.17
COCCC[N@@H+](C)CCNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012623474	1	54	0.0	-81.53	412.53	7.41	-74.12
COCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012623475	0	55	0.0	-78.92	435.61	5.94	-72.98
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012623475	1	55	0.0	-78.76	435.62	5.96	-72.80
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012623476	0	57	0.0	-78.03	405.17	6.70	-71.33
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012623476	1	57	0.0	-77.90	405.17	6.71	-71.19
COCCC[N@H+](C)CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012623477	0	54	0.0	-72.51	426.02	7.34	-65.17
COCCC[N@@H+](C)CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012623477	1	54	0.0	-72.32	426.02	7.37	-64.95
COCCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012623478	0	53	0.0	-79.03	419.93	7.16	-71.87
COCCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012623478	1	53	0.0	-78.96	419.92	7.15	-71.81
COCCC[N@H+](C)CCNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012623479	0	52	0.0	-79.92	396.90	5.07	-74.85
COCCC[N@@H+](C)CCNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012623479	1	52	0.0	-79.73	396.89	5.08	-74.65
COCCC[N@H+](C)CCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012623480	0	55	0.0	-73.76	419.14	4.47	-69.29
COCCC[N@@H+](C)CCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012623480	1	55	0.0	-73.60	419.13	4.47	-69.13
COCCC[N@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012623481	0	50	0.0	-75.04	378.53	4.74	-70.30
COCCC[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012623481	1	50	0.0	-73.68	376.92	4.76	-68.92
C=C(Cl)CC(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623482	0	45	0.0	-69.98	376.21	4.76	-65.22
C=C(Cl)CC(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623482	1	45	0.0	-69.31	375.97	4.82	-64.49
C=C(C)CC(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623483	0	48	0.0	-74.66	380.87	4.94	-69.72
C=C(C)CC(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623483	1	48	0.0	-74.00	380.64	5.01	-68.99
COCCC[N@H+](C)CCNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012623484	0	49	0.0	-87.35	368.58	6.98	-80.37
COCCC[N@@H+](C)CCNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012623484	1	49	0.0	-87.25	368.28	7.00	-80.25
COCCC[N@H+](C)CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012623485	0	54	0.0	-73.19	415.70	6.89	-66.30
COCCC[N@@H+](C)CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012623485	1	54	0.0	-72.98	415.71	6.91	-66.07
COCCC[N@H+](C)CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012623486	0	45	0.0	-73.65	359.46	5.72	-67.93
COCCC[N@@H+](C)CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012623486	1	45	0.0	-74.14	360.26	5.39	-68.75
COCCC[N@H+](C)CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012623487	0	45	0.0	-77.52	353.00	5.63	-71.89
COCCC[N@@H+](C)CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012623487	1	45	0.0	-77.62	353.00	5.63	-71.99
COCCC[N@H+](C)CCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012623488	0	55	0.0	-75.06	418.96	4.50	-70.56
COCCC[N@@H+](C)CCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012623488	1	55	0.0	-74.37	414.99	5.11	-69.26
COCCC[N@H+](C)CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012623489	0	50	0.0	-73.64	386.19	5.03	-68.61
COCCC[N@@H+](C)CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012623489	1	50	0.0	-74.30	386.40	4.97	-69.33
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012623490	0	52	0.0	-77.57	392.81	3.40	-74.17
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012623490	1	52	0.0	-77.69	392.81	3.41	-74.28
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012623491	0	48	0.0	-75.03	383.89	5.71	-69.32
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012623491	1	48	0.0	-75.07	383.87	5.71	-69.36
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012623492	0	51	0.0	-74.22	422.62	6.69	-67.53
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012623492	1	51	0.0	-74.20	422.66	6.70	-67.50
COCCC[N@H+](C)CCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012623493	0	48	0.0	-73.98	379.86	5.05	-68.93
COCCC[N@@H+](C)CCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012623493	1	48	0.0	-73.26	379.62	5.13	-68.13
COCCC[N@H+](C)CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012623494	0	47	0.0	-74.11	392.67	3.83	-70.28
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012623494	1	47	0.0	-72.68	392.70	3.83	-68.85
COCCC[N@H+](C)CCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012623495	0	56	0.0	-73.37	429.56	6.52	-66.85
COCCC[N@@H+](C)CCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012623495	1	56	0.0	-73.77	429.80	6.47	-67.30
COCCC[N@H+](C)CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012623496	0	54	0.0	-77.73	435.60	7.11	-70.62
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012623496	1	54	0.0	-73.00	436.04	7.04	-65.96
COCCC[N@H+](C)CCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012623497	0	52	0.0	-78.18	403.93	4.02	-74.16
COCCC[N@@H+](C)CCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012623497	1	52	0.0	-77.56	403.69	4.08	-73.48
COCCC[N@H+](C)CCNC(=O)NC(CSC)C(=O)[O-]	REAL300012623498	0	45	0.0	-70.85	371.20	4.04	-66.81
COCCC[N@@H+](C)CCNC(=O)NC(CSC)C(=O)[O-]	REAL300012623498	1	45	0.0	-71.32	371.44	3.98	-67.34
COCCC[N@H+](C)CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012623499	0	51	0.0	-73.16	412.33	6.77	-66.39
COCCC[N@@H+](C)CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012623499	1	51	0.0	-73.55	412.58	6.72	-66.83
CCC(C)CC(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623500	0	53	0.0	-73.94	404.55	5.65	-68.29
CCC(C)CC(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623500	1	53	0.0	-74.58	404.80	5.58	-69.00
C=CCCCC(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623501	0	51	0.0	-74.09	403.54	5.74	-68.35
C=CCCCC(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623501	1	51	0.0	-73.42	403.31	5.81	-67.61
COCCC[N@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012623502	0	51	0.0	-73.01	412.28	6.76	-66.25
COCCC[N@@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012623502	1	51	0.0	-72.85	411.68	6.73	-66.12
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012623503	0	54	0.0	-78.70	424.63	7.86	-70.84
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012623503	1	54	0.0	-72.20	424.11	8.10	-64.10
COCCC[N@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012623504	0	46	0.0	-80.17	357.40	6.55	-73.62
COCCC[N@@H+](C)CCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012623504	1	46	0.0	-80.64	357.65	6.67	-73.97
COCCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012623505	0	51	0.0	-74.83	391.70	6.49	-68.34
COCCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012623505	1	51	0.0	-74.97	391.70	6.47	-68.50
COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012623506	0	49	0.0	-85.18	368.02	7.10	-78.08
COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012623506	1	49	0.0	-85.20	368.02	7.11	-78.09
CCN(C(=O)NCC[N@H+](C)CCCOC)C(C)(C)C(=O)[O-]	REAL300012623507	0	50	0.0	-75.91	372.47	6.41	-69.50
CCN(C(=O)NCC[N@@H+](C)CCCOC)C(C)(C)C(=O)[O-]	REAL300012623507	1	50	0.0	-76.07	372.46	6.40	-69.67
CCCN(C(=O)NCC[N@H+](C)CCCOC)C(C)C(=O)[O-]	REAL300012623508	0	50	0.0	-51.39	377.76	7.13	-44.26
CCCN(C(=O)NCC[N@@H+](C)CCCOC)C(C)C(=O)[O-]	REAL300012623508	1	50	0.0	-77.12	380.37	6.99	-70.13
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012623509	0	44	0.0	-69.62	360.29	5.95	-63.67
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012623509	1	44	0.0	-69.51	360.28	5.96	-63.55
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012623510	0	44	0.0	-69.62	360.29	5.95	-63.67
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012623510	1	44	0.0	-69.51	360.28	5.96	-63.55
COCCC[N@H+](C)CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012623511	0	57	0.0	-59.82	434.01	3.91	-55.91
COCCC[N@@H+](C)CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012623511	1	57	0.0	-59.98	434.01	3.92	-56.06
COCCC[N@H+](C)CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012623512	0	46	0.0	-82.21	358.51	1.85	-80.36
COCCC[N@@H+](C)CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012623512	1	46	0.0	-82.06	358.54	1.87	-80.19
COCCC[N@H+](C)CCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012623513	1	61	0.0	-59.59	459.20	3.80	-55.79
COCCC[N@@H+](C)CCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012623513	1	61	0.0	-59.61	459.21	3.80	-55.81
COCCC[N@H+](C)CCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012623514	0	52	0.0	-53.70	400.77	8.56	-45.14
COCCC[N@@H+](C)CCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012623514	1	52	0.0	-56.58	401.69	8.35	-48.23
COCCC[N@H+](C)CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012623515	0	55	0.0	-64.97	410.37	8.68	-56.29
COCCC[N@@H+](C)CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012623515	1	55	0.0	-62.97	410.87	8.78	-54.19
COCCC[N@H+](C)CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012623516	0	53	0.0	-74.07	403.70	6.87	-67.20
COCCC[N@@H+](C)CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012623516	1	53	0.0	-74.68	403.59	6.83	-67.85
COCCC[N@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012623517	0	48	0.0	-74.59	383.67	5.79	-68.80
COCCC[N@@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012623517	1	48	0.0	-74.94	383.92	5.70	-69.24
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012623518	0	51	0.0	-71.25	422.66	6.72	-64.53
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012623518	1	51	0.0	-71.28	422.61	6.72	-64.56
COCCC[N@H+](C)CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012623519	0	53	0.0	-75.78	423.78	5.71	-70.07
COCCC[N@@H+](C)CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012623519	1	53	0.0	-75.61	423.78	5.72	-69.89
C=CCCC(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623520	0	48	0.0	-73.87	382.05	4.96	-68.91
C=CCCC(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623520	1	48	0.0	-73.14	381.81	5.03	-68.11
COCCC[N@H+](C)CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012623521	0	47	0.0	-77.14	392.69	3.65	-73.49
COCCC[N@@H+](C)CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012623521	1	47	0.0	-76.45	392.46	3.70	-72.75
COCCC[N@H+](C)CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012623522	0	48	0.0	-69.97	411.37	5.45	-64.52
COCCC[N@@H+](C)CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012623522	1	48	0.0	-70.88	412.20	5.47	-65.41
COCCC[N@H+](C)CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012623523	0	48	0.0	-90.45	377.00	3.10	-87.35
COCCC[N@@H+](C)CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012623523	1	48	0.0	-90.47	376.99	3.09	-87.38
COCCC[N@H+](C)CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012623524	0	49	0.0	-74.62	374.54	4.82	-69.80
COCCC[N@@H+](C)CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012623524	1	49	0.0	-74.66	374.53	4.82	-69.84
COCCC[N@H+](C)CCNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012623525	0	48	0.0	-79.41	363.60	6.09	-73.32
COCCC[N@@H+](C)CCNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012623525	1	48	0.0	-79.30	363.59	6.09	-73.21
COCCC[N@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012623526	0	48	0.0	-74.21	383.27	5.73	-68.48
COCCC[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012623526	1	48	0.0	-74.33	383.27	5.74	-68.59
COCCC[N@H+](C)CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012623527	0	51	0.0	-76.46	393.35	5.03	-71.43
COCCC[N@@H+](C)CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012623527	1	51	0.0	-73.43	397.71	5.07	-68.36
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012623528	0	51	0.0	-58.03	382.02	7.01	-51.02
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012623528	1	51	0.0	-57.90	382.03	7.00	-50.90
CC[C@H](C)[C@H](NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623529	0	50	0.0	-73.52	377.32	4.57	-68.95
CC[C@H](C)[C@H](NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623529	1	50	0.0	-74.72	378.98	4.58	-70.14
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012623530	0	49	0.0	-77.93	381.13	1.62	-76.31
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012623530	1	49	0.0	-77.79	381.13	1.64	-76.15
COCCC[N@H+](C)CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012623531	0	57	0.0	-75.97	431.74	4.89	-71.08
COCCC[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012623531	1	57	0.0	-76.18	431.74	4.90	-71.28
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012623532	0	51	0.0	-77.16	383.81	5.37	-71.79
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012623532	1	51	0.0	-76.94	383.81	5.38	-71.56
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012623533	0	54	0.0	-76.94	393.27	6.09	-70.85
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012623533	1	54	0.0	-77.12	393.27	6.09	-71.03
COCCC[N@H+](C)CCNC(=O)NC(CCOC)C(=O)[O-]	REAL300012623534	0	48	0.0	-74.41	381.41	2.70	-71.71
COCCC[N@@H+](C)CCNC(=O)NC(CCOC)C(=O)[O-]	REAL300012623534	1	48	0.0	-74.24	381.41	2.70	-71.54
COCCC[N@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012623535	0	54	0.0	-73.81	415.25	8.67	-65.14
COCCC[N@@H+](C)CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012623535	1	54	0.0	-73.54	415.24	8.68	-64.86
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012623536	0	51	0.0	-78.52	385.29	6.06	-72.46
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012623536	1	51	0.0	-78.37	385.29	6.05	-72.32
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012623537	0	58	0.0	-77.43	432.57	8.02	-69.41
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012623537	1	58	0.0	-78.95	432.68	8.08	-70.87
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012623538	0	48	0.0	-74.32	376.46	4.77	-69.55
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012623538	1	48	0.0	-74.42	376.46	4.76	-69.66
COCCC[N@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012623539	0	57	0.0	-75.77	432.29	4.86	-70.91
COCCC[N@@H+](C)CCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012623539	1	57	0.0	-75.79	431.78	4.84	-70.95
COCCC[N@H+](C)CCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012623540	0	46	0.0	-86.54	358.51	2.02	-84.52
COCCC[N@@H+](C)CCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012623540	1	46	0.0	-85.25	357.15	2.04	-83.21
COCCC[N@H+](C)CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012623541	0	56	0.0	-62.69	426.08	9.26	-53.43
COCCC[N@@H+](C)CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012623541	1	56	0.0	-62.84	426.08	9.26	-53.58
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012623542	0	49	0.0	-74.26	374.51	2.67	-71.59
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012623542	1	49	0.0	-74.10	374.51	2.67	-71.43
COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012623543	0	49	0.0	-83.64	368.20	6.70	-76.94
COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012623543	1	49	0.0	-83.75	368.22	6.69	-77.06
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012623544	0	52	0.0	-82.12	415.58	5.84	-76.28
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012623544	1	52	0.0	-82.10	415.58	5.84	-76.26
COCCC[N@H+](C)CCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012623545	0	47	0.0	-80.92	361.13	4.37	-76.55
COCCC[N@@H+](C)CCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012623545	1	47	0.0	-80.80	361.10	4.36	-76.44
COCCC[N@H+](C)CCNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012623546	0	51	0.0	-82.28	378.67	7.38	-74.90
COCCC[N@@H+](C)CCNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012623546	1	51	0.0	-82.37	378.67	7.39	-74.98
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012623547	0	54	0.0	-73.24	421.06	6.97	-66.27
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012623547	1	54	0.0	-75.04	422.89	7.06	-67.98
COCCC[N@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012623548	0	55	0.0	-73.29	419.59	6.78	-66.51
COCCC[N@@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012623548	1	55	0.0	-74.01	415.96	7.44	-66.57
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012623549	0	48	0.0	-74.89	374.51	4.67	-70.22
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012623549	1	48	0.0	-73.98	367.41	4.60	-69.38
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012623550	0	61	0.0	-76.03	441.12	6.48	-69.55
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012623550	1	61	0.0	-75.87	441.11	6.49	-69.38
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012623551	0	54	0.0	-75.12	400.81	5.91	-69.21
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012623551	1	54	0.0	-75.85	401.48	5.84	-70.01
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012623552	0	48	0.0	-74.89	374.51	4.67	-70.22
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012623552	1	48	0.0	-73.98	367.41	4.60	-69.38
COCCC[N@H+](C)CCNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012623553	0	48	0.0	-80.67	367.86	5.85	-74.82
COCCC[N@@H+](C)CCNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012623553	1	48	0.0	-80.33	362.68	5.71	-74.62
COCCC[N@H+](C)CCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012623554	0	55	0.0	-72.72	419.74	5.41	-67.31
COCCC[N@@H+](C)CCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012623554	1	55	0.0	-76.91	421.11	4.83	-72.08
COCCC[N@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012623555	0	55	0.0	-51.32	393.59	7.37	-43.95
COCCC[N@@H+](C)CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012623555	1	55	0.0	-51.17	393.58	7.37	-43.80
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012623556	0	55	0.0	-77.55	397.78	4.66	-72.89
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012623556	1	55	0.0	-77.35	397.77	4.64	-72.71
COCCC[N@H+](C)CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012623557	0	54	0.0	-75.53	444.11	7.97	-67.56
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012623557	1	54	0.0	-75.40	444.08	7.98	-67.42
COCCC[N@H+](C)CCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012623558	0	55	0.0	-88.20	411.86	9.17	-79.03
COCCC[N@@H+](C)CCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012623558	1	55	0.0	-63.94	416.24	8.68	-55.26
COCCC[N@H+](C)CCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012623559	0	49	0.0	-53.65	369.52	6.56	-47.09
COCCC[N@@H+](C)CCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012623559	1	49	0.0	-53.50	369.49	6.57	-46.93
COCCC[N@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012623560	0	55	0.0	-73.29	419.59	6.78	-66.51
COCCC[N@@H+](C)CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012623560	1	55	0.0	-74.01	415.96	7.44	-66.57
COCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012623561	0	51	0.0	-76.85	412.34	6.77	-70.08
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012623561	1	51	0.0	-76.65	412.33	6.76	-69.89
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012623562	0	49	0.0	-73.84	380.47	3.21	-70.63
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012623562	1	49	0.0	-80.42	382.22	3.28	-77.14
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012623563	0	45	0.0	-76.59	357.29	4.37	-72.22
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012623563	1	45	0.0	-76.43	357.29	4.38	-72.05
COCCC[N@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012623564	0	49	0.0	-74.92	380.83	3.61	-71.31
COCCC[N@@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012623564	1	49	0.0	-73.79	380.33	3.22	-70.57
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012623565	0	48	0.0	-76.29	385.70	5.40	-70.89
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012623565	1	48	0.0	-72.31	388.98	5.11	-67.20
CCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+](C)CCCOC	REAL300012623566	0	51	0.0	-81.76	376.89	7.32	-74.44
CCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+](C)CCCOC	REAL300012623566	1	51	0.0	-81.95	376.89	7.32	-74.63
COCCC[N@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012623567	0	44	0.0	-67.93	363.43	4.40	-63.53
COCCC[N@@H+](C)CCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012623567	1	44	0.0	-67.75	363.43	4.41	-63.34
COCCC[N@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012623568	0	52	0.0	-73.59	402.39	3.76	-69.83
COCCC[N@@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012623568	1	52	0.0	-76.51	401.54	3.64	-72.87
COCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012623569	0	48	0.0	-74.28	397.20	5.71	-68.57
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012623569	1	48	0.0	-74.44	397.21	5.73	-68.71
COCCC[N@H+](C)CCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012623570	0	55	0.0	-73.73	424.65	5.66	-68.07
COCCC[N@@H+](C)CCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012623570	1	55	0.0	-73.75	424.88	5.71	-68.04
COCCC[N@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012623571	0	50	0.0	-73.53	366.80	4.63	-68.90
COCCC[N@@H+](C)CCNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012623571	1	50	0.0	-73.49	366.79	4.64	-68.85
COCCC[N@H+](C)CCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012623572	0	49	0.0	-81.39	369.73	6.30	-75.09
COCCC[N@@H+](C)CCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012623572	1	49	0.0	-82.08	369.94	6.10	-75.98
COCCC[N@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012623573	0	54	0.0	-50.62	415.36	9.55	-41.07
COCCC[N@@H+](C)CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012623573	1	54	0.0	-50.56	416.27	9.32	-41.24
COCCC[N@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012623574	0	57	0.0	-74.12	427.82	6.89	-67.23
COCCC[N@@H+](C)CCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012623574	1	57	0.0	-73.97	427.82	6.90	-67.07
COCCC[N@H+](C)CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012623575	0	54	0.0	-75.05	429.15	7.42	-67.63
COCCC[N@@H+](C)CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012623575	1	54	0.0	-75.16	429.14	7.43	-67.73
COCCC[N@H+](C)CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012623576	0	54	0.0	-75.16	429.15	7.42	-67.74
COCCC[N@@H+](C)CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012623576	1	54	0.0	-75.01	429.14	7.42	-67.59
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012623577	0	55	0.0	-74.79	408.18	6.29	-68.50
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012623577	1	55	0.0	-74.65	408.18	6.29	-68.36
COCCC[N@H+](C)CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012623578	0	57	0.0	-74.17	427.85	6.91	-67.26
COCCC[N@@H+](C)CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012623578	1	57	0.0	-74.48	428.12	6.84	-67.64
COCCC[N@H+](C)CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012623579	0	57	0.0	-74.48	428.12	6.83	-67.65
COCCC[N@@H+](C)CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012623579	1	57	0.0	-73.87	427.24	6.85	-67.02
COCCC[N@H+](C)CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012623580	0	55	0.0	-53.14	408.34	7.52	-45.62
COCCC[N@@H+](C)CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012623580	1	55	0.0	-53.69	409.19	7.45	-46.24
COCCC[N@H+](C)CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012623581	0	55	0.0	-81.92	404.04	7.29	-74.63
COCCC[N@@H+](C)CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012623581	1	55	0.0	-82.53	407.73	7.31	-75.22
COCCC[N@H+](C)CCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012623582	0	55	0.0	-74.35	435.37	6.01	-68.34
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012623582	1	55	0.0	-75.89	435.42	6.01	-69.88
C=CCSCC(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623583	0	49	0.0	-71.40	405.71	5.43	-65.97
C=CCSCC(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623583	1	49	0.0	-71.26	405.71	5.43	-65.83
COCCC[N@H+](C)CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012623584	0	52	0.0	-74.46	426.68	7.12	-67.34
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012623584	1	52	0.0	-74.42	426.75	7.11	-67.31
COCCC[N@H+](C)CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012623585	0	55	0.0	-88.21	445.56	6.69	-81.52
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012623585	1	55	0.0	-87.96	445.56	6.69	-81.27
CCC(C(=O)[O-])N(CC)C(=O)NCC[N@H+](C)CCCOC	REAL300012623586	0	50	0.0	-71.56	372.45	6.44	-65.12
CCC(C(=O)[O-])N(CC)C(=O)NCC[N@@H+](C)CCCOC	REAL300012623586	1	50	0.0	-71.67	371.94	6.33	-65.34
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012623587	0	52	0.0	-70.67	395.34	3.30	-67.37
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012623587	1	52	0.0	-70.78	395.36	3.30	-67.48
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012623588	0	54	0.0	-74.48	408.87	6.63	-67.85
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012623588	1	54	0.0	-74.19	408.88	6.65	-67.54
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012623589	0	55	0.0	-76.90	415.15	7.78	-69.12
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012623589	1	55	0.0	-76.73	415.16	7.78	-68.95
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012623590	0	48	0.0	-79.65	381.11	5.13	-74.52
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012623590	1	48	0.0	-81.10	380.69	5.17	-75.93
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012623592	0	60	0.0	-73.92	459.47	8.04	-65.88
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012623592	1	60	0.0	-74.59	460.08	8.04	-66.55
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012623593	0	57	0.0	-74.20	443.88	7.71	-66.49
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012623593	1	57	0.0	-74.00	443.50	7.67	-66.33
COCCC[N@H+](C)CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012623594	0	45	0.0	-77.52	353.00	5.63	-71.89
COCCC[N@@H+](C)CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012623594	1	45	0.0	-77.62	353.00	5.63	-71.99
COCCC[N@H+](C)CCNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012623595	0	47	0.0	-53.59	362.59	6.36	-47.23
COCCC[N@@H+](C)CCNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012623595	1	47	0.0	-53.73	362.59	6.36	-47.37
COCCC[N@H+](C)CCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012623596	0	51	0.0	-80.36	378.82	6.50	-73.86
COCCC[N@@H+](C)CCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012623596	1	51	0.0	-80.39	378.82	6.50	-73.89
CCOC1=CC=C(C(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-])C=C1	REAL300012623597	0	55	0.0	-74.74	435.22	5.93	-68.81
CCOC1=CC=C(C(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-])C=C1	REAL300012623597	1	55	0.0	-74.74	435.24	5.93	-68.81
COCCC[N@H+](C)CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012623598	0	55	0.0	-81.54	403.03	8.21	-73.33
COCCC[N@@H+](C)CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012623598	1	55	0.0	-81.38	403.03	8.20	-73.18
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012623599	0	55	0.0	-75.68	425.87	7.57	-68.11
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012623599	1	55	0.0	-74.00	424.35	7.59	-66.41
COCCC[N@H+](C)CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012623600	0	55	0.0	-79.43	426.33	6.76	-72.67
COCCC[N@@H+](C)CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012623600	1	55	0.0	-79.46	426.33	6.76	-72.70
COCCC[N@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012623601	0	51	0.0	-77.35	419.29	6.65	-70.70
COCCC[N@@H+](C)CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012623601	1	51	0.0	-78.26	420.13	6.65	-71.61
COCCC[N@H+](C)CCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012623602	0	53	0.0	-74.13	408.30	5.70	-68.43
COCCC[N@@H+](C)CCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012623602	1	53	0.0	-73.96	408.30	5.70	-68.26
COCCC[N@H+](C)CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012623603	0	52	0.0	-53.75	394.31	6.97	-46.78
COCCC[N@@H+](C)CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012623603	1	52	0.0	-53.83	394.21	6.99	-46.84
COCCC[N@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012623604	0	52	0.0	-73.59	402.39	3.76	-69.83
COCCC[N@@H+](C)CCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012623604	1	52	0.0	-76.51	401.54	3.64	-72.87
COCCC[N@H+](C)CCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012623605	0	49	0.0	-77.74	389.77	6.73	-71.01
COCCC[N@@H+](C)CCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012623605	1	49	0.0	-77.87	389.77	6.74	-71.13
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012623606	0	52	0.0	-76.46	385.81	6.23	-70.23
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012623606	1	52	0.0	-78.96	383.10	6.48	-72.48
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012623607	0	49	0.0	-78.60	370.23	5.57	-73.03
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012623607	1	49	0.0	-78.76	370.23	5.58	-73.18
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012623608	0	52	0.0	-76.63	391.39	5.97	-70.66
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012623608	1	52	0.0	-76.49	391.49	5.97	-70.52
COCCC[N@H+](C)CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012623609	0	54	0.0	-73.79	414.73	8.56	-65.23
COCCC[N@@H+](C)CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012623609	1	54	0.0	-73.53	414.74	8.57	-64.96
COCCC[N@H+](C)CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012623610	0	58	0.0	-53.28	422.43	8.01	-45.27
COCCC[N@@H+](C)CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012623610	1	58	0.0	-53.12	422.43	8.01	-45.11
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012623611	0	51	0.0	-75.45	391.17	5.33	-70.12
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012623611	1	51	0.0	-74.24	383.90	5.22	-69.02
COCCC[N@H+](C)CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012623612	0	48	0.0	-74.65	377.61	2.92	-71.73
COCCC[N@@H+](C)CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012623612	1	48	0.0	-74.45	377.25	2.88	-71.57
COCCC[N@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012623613	0	48	0.0	-79.83	370.76	5.37	-74.46
COCCC[N@@H+](C)CCNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012623613	1	48	0.0	-79.76	370.75	5.38	-74.38
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012623614	0	51	0.0	-58.71	404.66	8.44	-50.27
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012623614	1	51	0.0	-58.90	404.67	8.45	-50.45
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012623615	0	58	0.0	-75.39	458.09	9.09	-66.30
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012623615	1	58	0.0	-75.34	458.06	9.12	-66.22
COCCC[N@H+](C)CCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012623616	0	51	0.0	-53.53	386.36	6.34	-47.19
COCCC[N@@H+](C)CCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012623616	1	51	0.0	-53.36	386.32	6.35	-47.01
COCCC[N@H+](C)CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012623617	0	52	0.0	-60.38	410.83	8.11	-52.27
COCCC[N@@H+](C)CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012623617	1	52	0.0	-60.43	410.83	8.11	-52.32
COCCC[N@H+](C)CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012623618	0	48	0.0	-80.14	368.67	6.64	-73.50
COCCC[N@@H+](C)CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012623618	1	48	0.0	-80.19	368.67	6.64	-73.55
COCCC[N@H+](C)CCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012623619	0	45	0.0	-83.48	358.17	5.69	-77.79
COCCC[N@@H+](C)CCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012623619	1	45	0.0	-83.60	358.17	5.69	-77.91
COCCC[N@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012623620	0	51	0.0	-76.85	412.34	6.77	-70.08
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012623620	1	51	0.0	-76.65	412.33	6.76	-69.89
COCCC[N@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012623621	0	48	0.0	-74.06	397.06	5.57	-68.49
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012623621	1	48	0.0	-74.60	396.98	5.56	-69.04
COCCC[N@H+](C)CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012623622	0	48	0.0	-72.98	375.69	6.21	-66.77
COCCC[N@@H+](C)CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012623622	1	48	0.0	-73.14	375.69	6.21	-66.93
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012623623	0	52	0.0	-77.94	410.92	6.37	-71.57
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012623623	1	52	0.0	-77.77	410.92	6.37	-71.40
COCCC[N@H+](C)CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012623624	0	56	0.0	-78.50	434.75	8.01	-70.49
COCCC[N@@H+](C)CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012623624	1	56	0.0	-78.68	434.74	8.01	-70.67
COCCC[N@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012623625	0	48	0.0	-74.06	397.06	5.57	-68.49
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012623625	1	48	0.0	-74.60	396.98	5.56	-69.04
COCCC[N@H+](C)CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012623626	0	52	0.0	-82.36	384.94	6.93	-75.43
COCCC[N@@H+](C)CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012623626	1	52	0.0	-82.20	384.93	6.92	-75.28
COCCCC(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623627	0	51	0.0	-73.27	402.91	3.47	-69.80
COCCCC(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623627	1	51	0.0	-73.37	402.91	3.47	-69.90
CCCC(C(=O)[O-])N(C)C(=O)NCC[N@H+](C)CCCOC	REAL300012623628	0	50	0.0	-70.96	380.20	6.44	-64.52
CCCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+](C)CCCOC	REAL300012623628	1	50	0.0	-71.10	380.20	6.43	-64.67
CCOCC(NC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300012623629	0	48	0.0	-75.23	381.31	2.90	-72.33
CCOCC(NC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300012623629	1	48	0.0	-75.71	381.45	2.85	-72.86
COCCC[N@H+](C)CCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012623630	0	53	0.0	-74.34	398.60	6.01	-68.33
COCCC[N@@H+](C)CCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012623630	1	53	0.0	-73.81	397.70	6.04	-67.77
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012623631	0	52	0.0	-75.96	396.48	3.79	-72.17
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012623631	1	52	0.0	-75.87	396.47	3.80	-72.07
COCCC[N@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012623632	0	52	0.0	-75.66	401.85	6.88	-68.78
COCCC[N@@H+](C)CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012623632	1	52	0.0	-75.60	401.86	6.88	-68.72
COCCC[N@H+](C)CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012623633	0	49	0.0	-81.40	369.21	5.12	-76.28
COCCC[N@@H+](C)CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012623633	1	49	0.0	-79.56	368.51	4.78	-74.78
COCCC[N@H+](C)CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012623634	0	51	0.0	-74.42	389.49	6.54	-67.88
COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012623634	1	51	0.0	-74.23	389.48	6.53	-67.70
COCCC[N@H+](C)CCNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012623635	0	45	0.0	-75.99	368.59	4.14	-71.85
COCCC[N@@H+](C)CCNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012623635	1	45	0.0	-75.33	368.35	4.20	-71.13
COCCC[N@H+](C)CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012623636	0	62	0.0	-76.76	438.68	7.73	-69.03
COCCC[N@@H+](C)CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012623636	1	62	0.0	-78.52	440.29	7.75	-70.77
COCCC[N@H+](C)CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012623637	0	54	0.0	-78.45	436.07	6.88	-71.57
COCCC[N@@H+](C)CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012623637	1	54	0.0	-78.32	436.07	6.87	-71.45
COCCC[N@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012623638	0	48	0.0	-60.79	380.71	6.33	-54.46
COCCC[N@@H+](C)CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012623638	1	48	0.0	-59.84	386.33	6.59	-53.25
COCCC[N@H+](C)CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012623639	0	59	0.0	-80.72	420.00	7.07	-73.65
COCCC[N@@H+](C)CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012623639	1	59	0.0	-80.76	419.75	7.12	-73.64
COCCC[N@H+](C)CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012623640	0	50	0.0	-70.38	417.66	5.34	-65.04
COCCC[N@@H+](C)CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012623640	1	50	0.0	-70.22	417.71	5.34	-64.88
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+](C)CCCOC)C1	REAL300012623641	0	52	0.0	-80.36	402.34	5.22	-75.14
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+](C)CCCOC)C1	REAL300012623641	1	52	0.0	-79.65	401.63	5.51	-74.14
C[NH+]1CCN(C2=CC=C(C(F)(F)F)C=C2CNC(=O)NCC(=O)[O-])CC1	REAL300012623642	0	47	0.0	-64.61	387.65	5.66	-58.95
CN(CC(=O)[O-])C(=O)NCC1=CC(C(F)(F)F)=CC=C1N1CC[NH+](C)CC1	REAL300012623643	0	50	0.0	-67.82	406.39	8.35	-59.47
CC(NC(=O)NCC1=CC(C(F)(F)F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012623644	0	50	0.0	-67.91	408.28	6.52	-61.39
CN(CC(=O)[O-])C(=O)NCC1=CC(C(F)(F)F)=CC=C1N1CC[NH+](C)CC1	REAL300012623645	0	50	0.0	-67.82	406.39	8.35	-59.47
C[C@H](NC(=O)NCC1=CC(C(F)(F)F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012623646	0	50	0.0	-68.04	408.76	6.50	-61.54
C[C@@H](NC(=O)NCC1=CC(C(F)(F)F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012623647	0	50	0.0	-62.63	408.76	6.50	-56.13
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	REAL300012623831	0	53	0.0	-60.74	394.06	5.70	-55.04
CCC1=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CO1	REAL300012624037	0	52	0.0	-63.63	410.07	3.51	-60.12
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)CCCO)CC1	REAL300012624555	0	59	0.0	-60.38	430.59	4.32	-56.06
COC1=CC=NC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012625065	0	53	0.0	-65.18	414.86	4.99	-60.19
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC=C2C(C)(C)C)CC1	REAL300012625361	0	62	0.0	-63.18	449.83	10.08	-53.10
CCC1=CC=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012626196	0	55	0.0	-67.60	429.12	6.99	-60.61
COC1=CC=CC2=C1CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C2	REAL300012626493	0	58	0.0	-65.54	443.94	7.99	-57.55
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012626752	0	56	0.0	-59.00	423.06	8.55	-50.45
COC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(OC)=N1	REAL300012627049	0	57	0.0	-64.06	449.39	2.91	-61.15
CC(C)C[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627481	0	54	0.0	-74.17	412.87	9.66	-64.51
CC(C)C[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627481	1	54	0.0	-74.24	415.86	9.30	-64.94
C=CCOCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627482	0	53	0.0	-75.91	424.05	7.61	-68.30
C=CCOCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627482	1	53	0.0	-75.56	421.47	8.19	-67.37
C=CC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627483	0	52	0.0	-75.03	400.43	9.25	-65.78
C=CC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627483	1	52	0.0	-75.79	401.24	9.19	-66.60
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012627484	0	56	0.0	-72.18	427.58	7.81	-64.37
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012627484	1	56	0.0	-75.56	425.06	8.38	-67.18
COC1CCN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C(C(=O)[O-])C1	REAL300012627485	0	56	0.0	-82.51	418.04	9.93	-72.58
COC1CCN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C(C(=O)[O-])C1	REAL300012627485	1	56	0.0	-81.08	416.58	10.10	-70.98
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012627486	0	56	0.0	-70.46	422.60	7.59	-62.87
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012627486	1	56	0.0	-70.21	425.62	7.95	-62.26
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012627487	0	55	0.0	-80.89	405.02	11.71	-69.18
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012627487	1	55	0.0	-81.82	402.01	11.43	-70.39
CC1=CC(C(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=CC=C1F	REAL300012627488	0	55	0.0	-70.03	440.65	10.79	-59.24
CC1=CC(C(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=CC=C1F	REAL300012627488	1	55	0.0	-70.19	440.85	10.72	-59.47
CC1=CC(C)=CC(C(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1	REAL300012627489	0	58	0.0	-75.20	456.58	11.17	-64.03
CC1=CC(C)=CC(C(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1	REAL300012627489	1	58	0.0	-75.40	453.72	11.82	-63.58
CC1=CC=C(C(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C=C1C	REAL300012627490	0	58	0.0	-73.88	452.32	11.30	-62.58
CC1=CC=C(C(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C=C1C	REAL300012627490	1	58	0.0	-73.90	452.52	11.22	-62.68
CC1=CC=CC(C(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1C	REAL300012627491	0	58	0.0	-71.70	443.18	10.91	-60.79
CC1=CC=CC(C(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1C	REAL300012627491	1	58	0.0	-74.17	439.56	11.36	-62.81
CCCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627492	0	51	0.0	-62.29	393.79	10.84	-51.45
CCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627492	1	51	0.0	-61.99	397.00	10.33	-51.66
CC(C(=O)[O-])N(C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C1CCC1	REAL300012627493	0	55	0.0	-62.18	406.51	11.31	-50.87
CC(C(=O)[O-])N(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C1CCC1	REAL300012627493	1	55	0.0	-64.50	406.55	11.17	-53.33
CCCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(COC)C(=O)[O-]	REAL300012627494	0	58	0.0	-74.28	435.59	10.06	-64.22
CCCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(COC)C(=O)[O-]	REAL300012627494	1	58	0.0	-71.61	432.01	10.47	-61.14
CCCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(CC)C(=O)[O-]	REAL300012627495	0	57	0.0	-70.40	425.12	11.52	-58.88
CCCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(CC)C(=O)[O-]	REAL300012627495	1	57	0.0	-72.23	422.38	12.40	-59.83
CC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627496	0	51	0.0	-74.55	390.01	8.32	-66.23
CC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627496	1	51	0.0	-73.18	389.19	8.86	-64.32
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCCC1C(=O)[O-]	REAL300012627497	0	52	0.0	-81.27	384.42	11.16	-70.11
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCCC1C(=O)[O-]	REAL300012627497	1	52	0.0	-80.17	387.36	10.83	-69.34
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCSCC1C(=O)[O-]	REAL300012627498	0	50	0.0	-79.20	388.86	10.97	-68.23
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCSCC1C(=O)[O-]	REAL300012627498	1	50	0.0	-79.42	388.87	10.87	-68.55
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012627499	0	55	0.0	-73.97	404.13	10.42	-63.55
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012627499	1	55	0.0	-73.79	408.76	10.16	-63.63
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCC1C(=O)[O-]	REAL300012627500	0	49	0.0	-78.73	375.60	9.71	-69.02
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCC1C(=O)[O-]	REAL300012627500	1	49	0.0	-78.90	378.68	9.41	-69.49
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCC1	REAL300012627501	0	52	0.0	-77.39	389.37	9.39	-68.00
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCC1	REAL300012627501	1	52	0.0	-77.94	389.46	9.42	-68.52
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012627502	0	58	0.0	-74.59	409.77	11.09	-63.50
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012627502	1	58	0.0	-79.89	410.08	11.10	-68.79
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012627503	0	55	0.0	-73.90	433.44	11.34	-62.56
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012627503	1	55	0.0	-76.05	433.37	11.36	-64.69
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012627504	0	55	0.0	-61.68	434.91	12.75	-48.93
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012627504	1	55	0.0	-61.87	431.29	13.09	-48.78
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012627505	0	52	0.0	-73.71	414.11	10.01	-63.70
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012627505	1	52	0.0	-72.05	410.98	10.48	-61.57
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012627506	0	52	0.0	-71.75	413.10	9.87	-61.88
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012627506	1	52	0.0	-75.69	414.75	9.99	-65.70
CCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627507	0	48	0.0	-72.64	378.57	7.92	-64.72
CCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627507	1	48	0.0	-71.25	377.58	7.76	-63.49
CC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627508	0	51	0.0	-74.55	390.01	8.32	-66.23
CC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627508	1	51	0.0	-73.18	389.19	8.86	-64.32
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)CC(=O)[O-]	REAL300012627509	0	45	0.0	-71.78	354.11	8.77	-63.01
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)CC(=O)[O-]	REAL300012627509	1	45	0.0	-70.64	350.84	9.16	-61.48
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012627510	0	55	0.0	-73.90	433.44	11.34	-62.56
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012627510	1	55	0.0	-76.05	433.37	11.36	-64.69
CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627511	0	45	0.0	-65.93	357.06	6.86	-59.07
CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627511	1	45	0.0	-63.98	355.75	6.75	-57.23
CCC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627512	0	54	0.0	-74.72	411.69	9.14	-65.58
CCC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627512	1	54	0.0	-76.19	406.36	9.24	-66.95
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)CC(=O)[O-]	REAL300012627513	0	45	0.0	-71.78	354.11	8.77	-63.01
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)CC(=O)[O-]	REAL300012627513	1	45	0.0	-70.64	350.84	9.16	-61.48
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCCC1C(=O)[O-]	REAL300012627514	0	52	0.0	-81.27	384.42	11.16	-70.11
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCCC1C(=O)[O-]	REAL300012627514	1	52	0.0	-80.17	387.36	10.83	-69.34
CCCC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627515	0	54	0.0	-71.12	404.21	9.03	-62.09
CCCC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627515	1	54	0.0	-74.64	400.75	9.39	-65.25
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627516	0	51	0.0	-63.16	382.98	10.43	-52.73
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627516	1	51	0.0	-71.73	385.25	9.98	-61.75
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])C1CC1	REAL300012627517	0	49	0.0	-60.57	376.44	10.45	-50.12
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])C1CC1	REAL300012627517	1	49	0.0	-63.36	379.77	10.20	-53.16
C=CCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627518	0	49	0.0	-61.95	388.31	10.14	-51.81
C=CCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627518	1	49	0.0	-55.20	382.50	10.54	-44.66
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627519	0	54	0.0	-61.70	408.20	11.15	-50.55
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627519	1	54	0.0	-61.81	412.07	11.02	-50.79
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012627520	0	56	0.0	-82.14	422.59	13.48	-68.66
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012627520	1	56	0.0	-80.15	426.38	12.96	-67.19
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C)(C)C(=O)[O-]	REAL300012627521	0	48	0.0	-63.82	368.74	7.32	-56.50
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C)(C)C(=O)[O-]	REAL300012627521	1	48	0.0	-63.43	365.52	7.64	-55.79
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012627522	0	52	0.0	-70.99	392.79	9.07	-61.92
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012627522	1	52	0.0	-75.94	392.30	9.04	-66.90
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012627523	0	49	0.0	-72.84	405.35	8.94	-63.90
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012627523	1	49	0.0	-73.24	402.12	9.44	-63.80
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012627524	0	55	0.0	-73.97	404.13	10.42	-63.55
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012627524	1	55	0.0	-73.79	408.76	10.16	-63.63
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627525	0	51	0.0	-63.16	382.98	10.43	-52.73
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627525	1	51	0.0	-71.73	385.25	9.98	-61.75
CCCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627526	0	51	0.0	-62.29	393.79	10.84	-51.45
CCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627526	1	51	0.0	-61.99	397.00	10.33	-51.66
CCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627527	0	48	0.0	-74.23	372.91	10.15	-64.08
CCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627527	1	48	0.0	-71.80	375.92	9.75	-62.05
CC[C@H](C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627528	0	54	0.0	-71.80	408.15	8.85	-62.95
CC[C@H](C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627528	1	54	0.0	-74.15	407.57	8.88	-65.27
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCC1	REAL300012627529	0	52	0.0	-77.39	389.37	9.39	-68.00
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCC1	REAL300012627529	1	52	0.0	-77.94	389.46	9.42	-68.52
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012627530	0	55	0.0	-59.98	441.32	12.82	-47.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012627530	1	55	0.0	-59.97	437.69	13.16	-46.81
CCC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627531	0	51	0.0	-74.04	382.71	8.28	-65.76
CCC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627531	1	51	0.0	-74.31	379.26	8.62	-65.69
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012627532	0	56	0.0	-74.27	430.13	11.61	-62.66
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012627532	1	56	0.0	-73.83	434.28	11.18	-62.65
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012627533	0	55	0.0	-76.00	419.07	11.12	-64.88
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012627533	1	55	0.0	-74.97	418.94	11.19	-63.78
C[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627534	0	45	0.0	-64.94	353.05	7.34	-57.60
C[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627534	1	45	0.0	-63.41	357.21	6.96	-56.45
CCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627535	0	48	0.0	-74.23	372.91	10.15	-64.08
CCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627535	1	48	0.0	-71.80	375.92	9.75	-62.05
CCCCCCC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627536	0	63	0.0	-73.73	465.13	11.80	-61.93
CCCCCCC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627536	1	63	0.0	-70.91	465.25	11.72	-59.19
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012627537	0	58	0.0	-73.68	445.08	12.81	-60.87
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012627537	1	58	0.0	-71.74	447.50	13.04	-58.70
C[C@@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627538	0	45	0.0	-65.52	356.74	6.90	-58.62
C[C@@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627538	1	45	0.0	-65.14	355.74	6.75	-58.39
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC1	REAL300012627539	0	46	0.0	-78.21	362.85	8.06	-70.15
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC1	REAL300012627539	1	46	0.0	-76.36	363.58	8.13	-68.23
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCOCC1C(=O)[O-]	REAL300012627540	0	50	0.0	-77.29	375.28	8.74	-68.55
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCOCC1C(=O)[O-]	REAL300012627540	1	50	0.0	-78.63	380.46	8.45	-70.18
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012627541	0	58	0.0	-75.20	413.14	11.80	-63.40
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012627541	1	58	0.0	-79.99	413.77	11.86	-68.13
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CC1	REAL300012627542	0	49	0.0	-74.90	382.75	8.35	-66.55
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CC1	REAL300012627542	1	49	0.0	-71.82	378.46	8.84	-62.98
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012627543	0	58	0.0	-63.01	457.32	13.53	-49.48
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012627543	1	58	0.0	-63.28	453.69	13.87	-49.41
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012627544	0	55	0.0	-71.66	421.69	11.48	-60.18
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012627544	1	55	0.0	-69.94	419.09	12.06	-57.88
COCCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627545	0	52	0.0	-62.89	403.67	9.27	-53.62
COCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627545	1	52	0.0	-62.67	407.29	8.93	-53.74
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012627546	0	56	0.0	-79.15	425.97	11.39	-67.76
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012627546	1	56	0.0	-77.99	425.72	11.48	-66.51
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012627547	0	49	0.0	-79.01	378.63	9.41	-69.60
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012627547	1	49	0.0	-83.20	375.02	9.63	-73.57
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012627548	0	52	0.0	-80.45	387.71	10.90	-69.55
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012627548	1	52	0.0	-80.48	388.56	10.86	-69.62
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627549	0	48	0.0	-68.39	369.59	8.96	-59.43
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627549	1	48	0.0	-70.39	364.35	9.24	-61.15
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012627550	0	49	0.0	-82.10	374.81	9.77	-72.33
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012627550	1	49	0.0	-81.43	373.49	9.86	-71.57
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCC1	REAL300012627551	0	49	0.0	-75.46	375.50	8.93	-66.53
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCC1	REAL300012627551	1	49	0.0	-74.79	379.78	8.58	-66.21
C=CCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627552	0	49	0.0	-74.01	388.32	8.76	-65.25
C=CCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627552	1	49	0.0	-70.77	388.27	8.80	-61.97
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012627553	0	52	0.0	-79.99	393.85	10.37	-69.62
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012627553	1	52	0.0	-77.36	394.43	10.36	-67.00
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCCCC1C(=O)[O-]	REAL300012627554	0	55	0.0	-82.24	399.12	12.06	-70.18
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCCCC1C(=O)[O-]	REAL300012627554	1	55	0.0	-72.11	401.44	11.10	-61.01
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CC1	REAL300012627555	0	49	0.0	-74.90	382.75	8.35	-66.55
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CC1	REAL300012627555	1	49	0.0	-71.82	378.46	8.84	-62.98
CC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627556	0	48	0.0	-67.91	364.95	9.34	-58.57
CC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627556	1	48	0.0	-69.96	368.09	8.72	-61.24
CCCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627557	0	54	0.0	-72.49	421.57	9.46	-63.03
CCCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627557	1	54	0.0	-71.13	420.57	9.33	-61.80
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012627558	0	58	0.0	-63.01	457.32	13.53	-49.48
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012627558	1	58	0.0	-63.28	453.69	13.87	-49.41
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012627559	0	52	0.0	-80.97	395.04	10.41	-70.56
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012627559	1	52	0.0	-77.20	395.12	10.40	-66.80
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012627560	0	55	0.0	-61.60	409.27	11.71	-49.89
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012627560	1	55	0.0	-61.52	408.63	11.66	-49.86
COCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627561	0	49	0.0	-73.02	389.94	6.14	-66.88
COCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627561	1	49	0.0	-72.64	389.42	6.01	-66.63
CCCCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627562	0	57	0.0	-71.46	442.23	10.25	-61.21
CCCCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627562	1	57	0.0	-70.34	441.83	10.16	-60.18
CCC1CCC(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])CC1	REAL300012627563	0	61	0.0	-78.53	447.84	11.41	-67.12
CCC1CCC(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])CC1	REAL300012627563	1	61	0.0	-77.60	442.93	11.73	-65.87
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012627564	0	56	0.0	-56.26	420.62	9.65	-46.61
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012627564	1	56	0.0	-53.96	421.32	9.62	-44.34
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012627565	0	55	0.0	-75.90	403.97	10.68	-65.22
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012627565	1	55	0.0	-77.14	400.56	11.05	-66.09
CC(C(=O)[O-])N(C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C1CC1	REAL300012627566	0	52	0.0	-64.10	395.57	10.37	-53.73
CC(C(=O)[O-])N(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C1CC1	REAL300012627566	1	52	0.0	-64.93	391.72	10.81	-54.12
CCC(C(=O)[O-])N(C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C1CC1	REAL300012627567	0	55	0.0	-65.82	415.99	11.56	-54.26
CCC(C(=O)[O-])N(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C1CC1	REAL300012627567	1	55	0.0	-71.80	406.09	10.92	-60.88
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012627568	0	52	0.0	-77.23	417.91	9.99	-67.24
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012627568	1	52	0.0	-79.57	414.09	10.45	-69.12
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012627569	0	56	0.0	-61.57	425.92	12.67	-48.90
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012627569	1	56	0.0	-64.97	425.74	12.76	-52.21
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012627570	0	61	0.0	-72.24	455.14	11.60	-60.64
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012627570	1	61	0.0	-72.14	458.07	11.13	-61.01
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627571	0	58	0.0	-53.31	443.64	13.37	-39.94
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627571	1	58	0.0	-61.65	447.10	13.56	-48.09
CC1=CC=C(C(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C=C1	REAL300012627572	0	55	0.0	-73.03	432.44	11.09	-61.94
CC1=CC=C(C(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C=C1	REAL300012627572	1	55	0.0	-75.74	436.16	10.66	-65.08
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012627573	0	48	0.0	-66.09	393.51	8.47	-57.62
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012627573	1	48	0.0	-67.43	394.50	8.60	-58.83
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012627574	0	53	0.0	-70.04	401.53	10.15	-59.89
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012627574	1	53	0.0	-73.96	402.15	10.22	-63.74
COCC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627575	0	52	0.0	-78.57	400.95	7.56	-71.01
COCC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627575	1	52	0.0	-77.99	397.39	7.96	-70.03
CCOCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627576	0	55	0.0	-72.93	421.57	9.31	-63.62
CCOCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627576	1	55	0.0	-72.81	416.40	9.72	-63.09
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627577	0	54	0.0	-61.70	408.20	11.15	-50.55
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627577	1	54	0.0	-61.81	412.07	11.02	-50.79
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])C1CC1	REAL300012627578	0	49	0.0	-60.57	376.44	10.45	-50.12
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])C1CC1	REAL300012627578	1	49	0.0	-63.36	379.77	10.20	-53.16
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012627579	0	51	0.0	-57.00	415.49	10.88	-46.12
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012627579	1	51	0.0	-62.81	411.92	11.22	-51.59
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCOC1	REAL300012627580	0	50	0.0	-70.82	383.54	6.40	-64.42
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCOC1	REAL300012627580	1	50	0.0	-74.04	384.18	6.44	-67.60
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012627581	0	58	0.0	-75.96	431.31	9.98	-65.98
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012627581	1	58	0.0	-74.04	430.79	10.76	-63.28
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012627582	0	59	0.0	-70.41	446.85	10.53	-59.88
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012627582	1	59	0.0	-73.44	443.26	11.16	-62.28
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012627583	0	53	0.0	-73.49	395.54	7.93	-65.56
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012627583	1	53	0.0	-77.27	395.93	8.06	-69.21
C=CCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627584	0	52	0.0	-70.22	411.64	9.16	-61.06
C=CCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627584	1	52	0.0	-74.03	409.30	9.68	-64.35
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CF)C(=O)[O-]	REAL300012627585	0	45	0.0	-62.55	356.63	7.34	-55.21
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CF)C(=O)[O-]	REAL300012627585	1	45	0.0	-62.19	360.36	6.91	-55.28
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627586	0	58	0.0	-48.43	435.91	13.90	-34.53
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627586	1	58	0.0	-75.21	443.63	13.45	-61.76
CC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627587	0	48	0.0	-67.91	364.95	9.34	-58.57
CC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627587	1	48	0.0	-69.96	368.09	8.72	-61.24
CCC(CC)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627588	0	54	0.0	-70.70	395.50	9.60	-61.10
CCC(CC)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627588	1	54	0.0	-70.85	394.62	9.56	-61.29
COC1=CC=C(C(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C=C1	REAL300012627589	0	56	0.0	-75.29	444.00	9.36	-65.93
COC1=CC=C(C(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C=C1	REAL300012627589	1	56	0.0	-72.85	440.75	9.62	-63.23
CCC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627590	0	54	0.0	-51.93	409.58	11.22	-40.71
CCC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627590	1	54	0.0	-60.21	406.25	11.59	-48.62
CCC(COC)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627591	0	55	0.0	-80.08	417.40	8.47	-71.61
CCC(COC)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627591	1	55	0.0	-80.42	414.17	8.81	-71.61
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627592	0	58	0.0	-69.18	437.76	10.53	-58.65
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627592	1	58	0.0	-72.17	440.00	9.89	-62.28
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012627593	0	52	0.0	-72.11	410.05	9.38	-62.73
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012627593	1	52	0.0	-73.69	405.77	9.91	-63.78
COCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627594	0	52	0.0	-75.44	412.24	6.98	-68.46
COCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627594	1	52	0.0	-71.48	411.25	6.84	-64.64
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627595	0	57	0.0	-70.94	427.80	11.33	-59.61
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627595	1	57	0.0	-71.98	425.85	11.09	-60.89
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012627596	0	48	0.0	-70.86	389.92	8.05	-62.81
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012627596	1	48	0.0	-66.74	385.61	8.87	-57.87
CCCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627597	0	58	0.0	-83.44	432.16	12.39	-71.05
CCCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627597	1	58	0.0	-76.26	424.92	12.40	-63.86
CCCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300012627598	0	54	0.0	-44.95	409.11	11.27	-33.68
CCCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300012627598	1	54	0.0	-71.65	407.49	11.58	-60.07
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627599	0	58	0.0	-44.51	447.28	13.59	-30.92
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627599	1	58	0.0	-55.69	445.94	13.66	-42.03
CCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012627600	0	58	0.0	-76.73	439.51	11.65	-65.08
CCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012627600	1	58	0.0	-76.83	435.92	11.97	-64.86
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CCF)C(=O)[O-]	REAL300012627601	0	48	0.0	-70.25	384.16	7.92	-62.33
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CCF)C(=O)[O-]	REAL300012627601	1	48	0.0	-71.58	385.16	8.05	-63.53
COC1(CC(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])CCC1	REAL300012627602	0	59	0.0	-69.69	438.91	9.46	-60.23
COC1(CC(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])CCC1	REAL300012627602	1	59	0.0	-74.73	449.27	9.09	-65.64
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012627603	0	56	0.0	-56.26	420.62	9.65	-46.61
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012627603	1	56	0.0	-53.96	421.32	9.62	-44.34
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012627604	0	58	0.0	-56.70	429.24	11.85	-44.85
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012627604	1	58	0.0	-61.83	426.01	12.36	-49.47
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012627605	0	58	0.0	-77.68	421.29	10.52	-67.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012627605	1	58	0.0	-78.90	417.17	10.93	-67.97
COC1=CC=CC(C(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1	REAL300012627606	0	56	0.0	-77.17	440.66	9.71	-67.46
COC1=CC=CC(C(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1	REAL300012627606	1	56	0.0	-75.41	443.37	9.39	-66.02
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012627607	0	51	0.0	-71.57	385.84	8.78	-62.79
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012627607	1	51	0.0	-70.56	385.72	8.85	-61.71
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012627608	0	53	0.0	-60.26	407.42	10.83	-49.43
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012627608	1	53	0.0	-60.96	411.44	10.60	-50.36
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012627609	0	49	0.0	-73.68	389.08	9.93	-63.75
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012627609	1	49	0.0	-71.83	388.88	9.96	-61.87
COC1=CC=CC([C@H](NC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1	REAL300012627610	0	56	0.0	-76.57	440.07	9.73	-66.84
COC1=CC=CC([C@H](NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1	REAL300012627610	1	56	0.0	-77.59	443.62	9.30	-68.29
C[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627611	0	48	0.0	-69.24	368.66	8.97	-60.27
C[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627611	1	48	0.0	-71.36	367.94	8.94	-62.42
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012627612	0	61	0.0	-75.44	435.35	11.02	-64.42
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012627612	1	61	0.0	-75.99	436.00	11.00	-64.99
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012627613	0	50	0.0	-83.16	384.59	10.39	-72.77
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012627613	1	50	0.0	-81.19	378.87	10.89	-70.30
COC1CN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C(C)(C(=O)[O-])C1	REAL300012627614	0	56	0.0	-77.46	427.65	9.33	-68.13
COC1CN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C(C)(C(=O)[O-])C1	REAL300012627614	1	56	0.0	-75.78	426.18	9.25	-66.53
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012627615	0	59	0.0	-70.13	448.15	8.62	-61.51
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012627615	1	59	0.0	-70.02	441.33	9.86	-60.16
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012627616	0	54	0.0	-75.79	405.80	9.43	-66.36
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012627616	1	54	0.0	-73.61	409.45	9.04	-64.57
C=C(Cl)CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627617	0	49	0.0	-74.62	403.45	9.39	-65.23
C=C(Cl)CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627617	1	49	0.0	-70.67	407.05	9.04	-61.63
C=C(C)CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627618	0	52	0.0	-74.56	410.71	9.08	-65.48
C=C(C)CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627618	1	52	0.0	-72.50	412.42	9.11	-63.39
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012627619	0	53	0.0	-83.97	398.58	11.08	-72.89
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012627619	1	53	0.0	-85.35	396.06	11.64	-73.71
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012627620	0	49	0.0	-74.22	390.32	9.58	-64.64
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012627620	1	49	0.0	-73.74	387.64	10.01	-63.73
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012627621	0	49	0.0	-81.09	382.56	9.85	-71.24
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012627621	1	49	0.0	-78.74	381.15	9.95	-68.79
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300012627622	0	50	0.0	-80.36	390.92	9.91	-70.45
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300012627622	1	50	0.0	-78.14	388.17	10.26	-67.88
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012627623	0	59	0.0	-72.57	449.03	8.60	-63.97
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012627623	1	59	0.0	-73.17	449.19	8.74	-64.43
CC(C)C[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627624	0	54	0.0	-74.17	412.87	9.66	-64.51
CC(C)C[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627624	1	54	0.0	-74.24	415.86	9.30	-64.94
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012627625	0	56	0.0	-72.18	427.58	7.81	-64.37
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012627625	1	56	0.0	-75.56	425.06	8.38	-67.18
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012627626	0	52	0.0	-71.75	413.10	9.87	-61.88
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012627626	1	52	0.0	-75.69	414.75	9.99	-65.70
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012627627	0	52	0.0	-72.11	410.05	9.38	-62.73
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012627627	1	52	0.0	-73.69	405.77	9.91	-63.78
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012627628	0	51	0.0	-72.67	419.86	8.51	-64.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012627628	1	51	0.0	-76.04	423.74	8.06	-67.98
CC(C)CCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627629	0	60	0.0	-71.50	459.80	10.77	-60.73
CC(C)CCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627629	1	60	0.0	-71.01	459.64	10.61	-60.40
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012627630	0	56	0.0	-70.24	430.98	8.70	-61.54
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012627630	1	56	0.0	-79.15	434.76	8.30	-70.85
CSCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627631	0	49	0.0	-69.07	401.37	8.36	-60.71
CSCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627631	1	49	0.0	-68.88	401.05	8.20	-60.68
COC[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627632	0	49	0.0	-73.80	390.51	6.17	-67.63
COC[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627632	1	49	0.0	-71.97	388.95	6.00	-65.97
CC[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627633	0	48	0.0	-73.81	374.21	8.34	-65.47
CC[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627633	1	48	0.0	-70.25	376.74	7.79	-62.46
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012627634	0	55	0.0	-73.29	439.59	11.49	-61.80
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012627634	1	55	0.0	-74.51	443.26	11.08	-63.43
CCC(C)CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627635	0	57	0.0	-73.04	435.51	9.90	-63.14
CCC(C)CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627635	1	57	0.0	-72.48	431.94	10.29	-62.19
C=CCCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627636	0	55	0.0	-70.70	433.38	9.89	-60.81
C=CCCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627636	1	55	0.0	-70.99	433.55	10.04	-60.95
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012627637	0	55	0.0	-73.36	441.94	11.03	-62.33
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012627637	1	55	0.0	-71.39	442.52	11.01	-60.38
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCSCC1C(=O)[O-]	REAL300012627638	0	50	0.0	-79.20	388.86	10.97	-68.23
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCSCC1C(=O)[O-]	REAL300012627638	1	50	0.0	-79.42	388.87	10.87	-68.55
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012627639	0	55	0.0	-76.00	419.07	11.12	-64.88
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012627639	1	55	0.0	-74.97	418.94	11.19	-63.78
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012627640	0	49	0.0	-79.01	378.63	9.41	-69.60
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012627640	1	49	0.0	-83.20	375.02	9.63	-73.57
CCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627641	0	51	0.0	-71.61	399.24	8.69	-62.92
CCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627641	1	51	0.0	-70.59	398.83	8.59	-62.00
CC(C)[C@@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627642	0	51	0.0	-75.52	395.61	8.49	-67.03
CC(C)[C@@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627642	1	51	0.0	-72.51	390.10	8.27	-64.24
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012627643	0	53	0.0	-82.84	394.83	11.73	-71.11
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012627643	1	53	0.0	-84.71	395.39	11.78	-72.93
CCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(C)(C)C(=O)[O-]	REAL300012627644	0	54	0.0	-76.92	399.67	11.10	-65.82
CCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(C)(C)C(=O)[O-]	REAL300012627644	1	54	0.0	-76.83	402.60	10.72	-66.11
CCCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300012627645	0	54	0.0	-44.95	409.11	11.27	-33.68
CCCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300012627645	1	54	0.0	-71.65	407.49	11.58	-60.07
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012627646	0	48	0.0	-68.53	390.54	10.26	-58.27
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012627646	1	48	0.0	-68.71	387.54	10.66	-58.05
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012627647	0	48	0.0	-68.53	390.54	10.26	-58.27
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012627647	1	48	0.0	-68.71	387.54	10.66	-58.05
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300012627648	0	51	0.0	-77.30	378.98	10.20	-67.10
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300012627648	1	51	0.0	-77.76	383.80	9.78	-67.98
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012627649	0	49	0.0	-82.10	374.81	9.77	-72.33
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012627649	1	49	0.0	-81.43	373.49	9.86	-71.57
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012627650	0	50	0.0	-79.80	385.92	6.48	-73.32
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012627650	1	50	0.0	-84.54	385.68	6.44	-78.10
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627651	0	56	0.0	-51.31	430.13	12.92	-38.39
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627651	1	56	0.0	-57.29	425.09	13.17	-44.12
CCC[C@@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627652	0	51	0.0	-75.03	400.07	8.68	-66.35
CCC[C@@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627652	1	51	0.0	-72.20	399.43	8.72	-63.48
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012627653	0	52	0.0	-73.71	414.11	10.01	-63.70
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012627653	1	52	0.0	-72.05	410.98	10.48	-61.57
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012627654	0	57	0.0	-76.19	450.46	10.35	-65.84
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012627654	1	57	0.0	-73.71	454.03	9.95	-63.76
C=CCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627655	0	52	0.0	-70.22	411.64	9.16	-61.06
C=CCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627655	1	52	0.0	-74.03	409.30	9.68	-64.35
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012627656	0	51	0.0	-75.38	420.07	8.29	-67.09
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012627656	1	51	0.0	-77.79	423.28	7.98	-69.81
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012627657	0	52	0.0	-87.65	407.75	7.28	-80.37
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012627657	1	52	0.0	-88.37	408.05	7.28	-81.09
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012627658	0	53	0.0	-72.98	401.18	9.42	-63.56
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012627658	1	53	0.0	-73.20	405.75	9.14	-64.06
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012627659	0	52	0.0	-77.23	390.99	10.71	-66.52
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012627659	1	52	0.0	-80.32	390.40	10.74	-69.58
CC(C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627660	0	51	0.0	-74.83	391.47	8.86	-65.97
CC(C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627660	1	51	0.0	-75.47	396.24	8.53	-66.94
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012627661	0	52	0.0	-71.77	414.74	10.06	-61.71
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012627661	1	52	0.0	-73.06	414.19	10.03	-63.03
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012627662	0	55	0.0	-75.66	423.17	9.17	-66.49
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012627662	1	55	0.0	-71.33	428.51	9.35	-61.98
C[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627663	0	48	0.0	-69.24	368.66	8.97	-60.27
C[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627663	1	48	0.0	-71.36	367.94	8.94	-62.42
CCC[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627664	0	51	0.0	-71.65	399.32	8.70	-62.95
CCC[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627664	1	51	0.0	-71.24	399.08	8.54	-62.70
CCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300012627665	0	51	0.0	-68.06	382.22	10.09	-57.97
CCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300012627665	1	51	0.0	-69.26	382.72	10.17	-59.09
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012627666	0	55	0.0	-61.60	409.27	11.71	-49.89
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012627666	1	55	0.0	-61.52	408.63	11.66	-49.86
CC(CN(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627667	0	51	0.0	-79.38	390.86	9.67	-69.71
CC(CN(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627667	1	51	0.0	-74.53	384.19	9.77	-64.76
CC[C@H](C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627668	0	54	0.0	-71.80	408.15	8.85	-62.95
CC[C@H](C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627668	1	54	0.0	-74.15	407.57	8.88	-65.27
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627669	0	51	0.0	-69.47	385.32	10.24	-59.23
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627669	1	51	0.0	-71.28	388.90	9.97	-61.31
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012627670	0	53	0.0	-75.64	408.05	6.20	-69.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012627670	1	53	0.0	-84.14	406.59	6.12	-78.02
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627671	0	61	0.0	-72.62	458.31	9.14	-63.48
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627671	1	61	0.0	-75.55	457.73	9.16	-66.39
CC1CCC(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300012627672	0	55	0.0	-78.14	414.06	9.59	-68.55
CC1CCC(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300012627672	1	55	0.0	-77.76	409.58	10.02	-67.74
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012627673	0	58	0.0	-74.51	423.50	10.41	-64.10
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012627673	1	58	0.0	-74.83	424.13	10.38	-64.45
COCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627674	0	52	0.0	-75.44	412.24	6.98	-68.46
COCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627674	1	52	0.0	-71.48	411.25	6.84	-64.64
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012627675	0	58	0.0	-73.68	445.08	12.81	-60.87
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012627675	1	58	0.0	-71.74	447.50	13.04	-58.70
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012627676	0	55	0.0	-78.73	416.09	10.28	-68.45
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012627676	1	55	0.0	-78.86	414.89	10.31	-68.55
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012627677	0	52	0.0	-73.87	400.65	9.30	-64.57
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012627677	1	52	0.0	-72.30	396.44	9.69	-62.61
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627678	0	61	0.0	-76.35	462.35	9.19	-67.16
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627678	1	61	0.0	-74.26	463.24	9.17	-65.09
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012627679	0	50	0.0	-85.96	388.26	6.27	-79.69
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012627679	1	50	0.0	-83.04	385.85	6.70	-76.34
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012627680	0	53	0.0	-71.80	405.11	7.34	-64.46
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012627680	1	53	0.0	-72.58	409.89	7.47	-65.11
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012627681	0	53	0.0	-80.11	398.07	10.78	-69.33
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012627681	1	53	0.0	-84.42	399.92	10.99	-73.43
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012627682	0	51	0.0	-80.24	392.37	8.55	-71.69
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012627682	1	51	0.0	-80.55	391.31	8.70	-71.85
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012627683	0	55	0.0	-81.46	400.28	11.93	-69.53
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012627683	1	55	0.0	-81.12	403.43	11.72	-69.40
CC(C1=CC=CC=C1)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627684	0	58	0.0	-76.11	453.73	11.34	-64.77
CC(C1=CC=CC=C1)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627684	1	58	0.0	-74.30	448.67	11.64	-62.66
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012627685	0	59	0.0	-70.18	444.82	11.60	-58.58
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012627685	1	59	0.0	-74.41	442.82	12.22	-62.19
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCC1	REAL300012627686	0	52	0.0	-74.33	402.33	8.93	-65.40
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCC1	REAL300012627686	1	52	0.0	-71.09	394.66	9.31	-61.78
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012627687	0	58	0.0	-75.96	431.31	9.98	-65.98
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012627687	1	58	0.0	-74.04	430.79	10.76	-63.28
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCC1	REAL300012627688	0	52	0.0	-74.33	402.33	8.93	-65.40
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCC1	REAL300012627688	1	52	0.0	-71.09	394.66	9.31	-61.78
CC1CCN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C1C(=O)[O-]	REAL300012627689	0	52	0.0	-78.73	395.66	9.95	-68.78
CC1CCN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C1C(=O)[O-]	REAL300012627689	1	52	0.0	-79.66	398.67	10.10	-69.56
C=CCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627690	0	49	0.0	-74.01	388.32	8.76	-65.25
C=CCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627690	1	49	0.0	-70.77	388.27	8.80	-61.97
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012627691	0	59	0.0	-77.04	451.54	9.01	-68.03
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012627691	1	59	0.0	-70.63	446.59	10.00	-60.63
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012627692	0	59	0.0	-50.58	419.01	11.89	-38.69
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012627692	1	59	0.0	-54.60	425.28	11.66	-42.94
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012627693	0	59	0.0	-78.24	428.01	8.94	-69.30
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012627693	1	59	0.0	-79.08	428.59	8.92	-70.16
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012627694	0	53	0.0	-58.83	399.76	10.67	-48.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012627694	1	53	0.0	-58.52	399.88	10.82	-47.70
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012627695	0	59	0.0	-70.18	444.82	11.60	-58.58
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012627695	1	59	0.0	-74.41	442.82	12.22	-62.19
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012627696	0	55	0.0	-71.85	439.66	11.41	-60.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012627696	1	55	0.0	-71.63	439.78	11.44	-60.19
COC1CC(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300012627697	0	53	0.0	-82.04	409.50	7.91	-74.13
COC1CC(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300012627697	1	53	0.0	-71.47	407.51	7.78	-63.69
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012627698	0	49	0.0	-73.88	384.46	8.94	-64.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012627698	1	49	0.0	-73.29	384.05	9.01	-64.28
CO[C@H]1C[C@](NC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300012627699	0	53	0.0	-75.27	408.54	8.28	-66.99
CO[C@H]1C[C@](NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300012627699	1	53	0.0	-74.02	406.98	7.88	-66.14
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012627700	0	52	0.0	-72.92	420.09	9.80	-63.12
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012627700	1	52	0.0	-68.05	414.96	10.41	-57.64
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627701	0	55	0.0	-78.65	407.14	12.05	-66.60
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627701	1	55	0.0	-75.54	407.19	11.13	-64.41
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012627702	0	48	0.0	-66.09	393.51	8.47	-57.62
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012627702	1	48	0.0	-67.43	394.50	8.60	-58.83
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012627703	0	56	0.0	-71.24	432.45	7.84	-63.40
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012627703	1	56	0.0	-73.63	428.39	8.36	-65.27
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])COC1	REAL300012627704	0	47	0.0	-71.84	366.43	5.99	-65.85
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])COC1	REAL300012627704	1	47	0.0	-69.79	370.35	5.66	-64.13
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012627705	0	52	0.0	-71.36	425.71	10.28	-61.08
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012627705	1	52	0.0	-73.80	428.87	9.98	-63.82
CC(C)C(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627706	0	54	0.0	-75.18	399.44	8.97	-66.21
CC(C)C(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627706	1	54	0.0	-74.12	394.07	9.30	-64.82
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012627707	0	50	0.0	-82.26	381.53	11.38	-70.88
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012627707	1	50	0.0	-81.40	380.54	11.36	-70.04
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012627708	0	53	0.0	-78.97	396.07	10.81	-68.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012627708	1	53	0.0	-78.66	396.21	11.03	-67.63
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627709	0	58	0.0	-44.51	447.28	13.59	-30.92
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627709	1	58	0.0	-55.69	445.94	13.66	-42.03
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012627710	0	61	0.0	-72.24	455.14	11.60	-60.64
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012627710	1	61	0.0	-72.14	458.07	11.13	-61.01
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012627711	0	58	0.0	-72.16	458.98	11.56	-60.60
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012627711	1	58	0.0	-72.85	459.23	11.73	-61.12
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012627712	0	58	0.0	-72.78	459.15	11.79	-60.99
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012627712	1	58	0.0	-76.15	459.98	11.70	-64.45
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012627713	0	59	0.0	-75.55	431.36	10.70	-64.85
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012627713	1	59	0.0	-77.12	434.45	10.93	-66.19
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012627714	0	61	0.0	-72.77	458.28	11.16	-61.61
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012627714	1	61	0.0	-75.24	458.69	11.18	-64.06
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012627715	0	61	0.0	-70.84	458.71	11.17	-59.67
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012627715	1	61	0.0	-73.07	458.90	11.12	-61.95
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012627716	0	59	0.0	-52.17	436.47	12.14	-40.03
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012627716	1	59	0.0	-49.49	434.38	12.18	-37.31
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012627717	0	59	0.0	-80.54	435.20	11.54	-69.00
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012627717	1	59	0.0	-78.71	437.95	11.78	-66.93
C=CCSCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627718	0	53	0.0	-70.46	435.31	9.65	-60.81
C=CCSCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627718	1	53	0.0	-70.83	432.49	10.29	-60.54
CCC(C(=O)[O-])N(CC)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627719	0	54	0.0	-70.25	403.61	10.79	-59.46
CCC(C(=O)[O-])N(CC)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627719	1	54	0.0	-73.67	400.05	11.19	-62.48
COC1(C(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])CCC1	REAL300012627720	0	56	0.0	-77.67	426.47	7.71	-69.96
COC1(C(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])CCC1	REAL300012627720	1	56	0.0	-74.73	426.50	7.73	-67.00
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012627721	0	52	0.0	-77.82	407.64	9.77	-68.05
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012627721	1	52	0.0	-82.54	408.05	9.79	-72.75
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012627723	0	49	0.0	-81.09	382.56	9.85	-71.24
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012627723	1	49	0.0	-78.74	381.15	9.95	-68.79
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012627724	0	51	0.0	-51.05	392.11	10.71	-40.34
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012627724	1	51	0.0	-58.74	393.17	10.59	-48.15
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012627725	0	55	0.0	-81.48	407.33	10.96	-70.52
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012627725	1	55	0.0	-77.91	411.61	10.55	-67.36
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012627726	0	59	0.0	-82.35	428.66	12.82	-69.53
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012627726	1	59	0.0	-80.97	432.66	12.50	-68.47
CC(C)CCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627727	0	57	0.0	-71.71	438.30	9.99	-61.72
CC(C)CCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627727	1	57	0.0	-70.58	437.90	9.90	-60.68
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012627728	0	56	0.0	-58.22	424.13	11.24	-46.98
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012627728	1	56	0.0	-57.87	423.40	11.30	-46.57
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012627729	0	56	0.0	-71.24	432.45	7.84	-63.40
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012627729	1	56	0.0	-73.63	428.39	8.36	-65.27
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300012627730	0	53	0.0	-76.12	419.85	11.00	-65.12
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300012627730	1	53	0.0	-79.34	417.21	11.35	-67.99
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012627731	0	56	0.0	-79.78	413.30	10.78	-69.00
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012627731	1	56	0.0	-80.03	410.17	11.19	-68.84
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012627732	0	53	0.0	-75.16	399.90	9.75	-65.41
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012627732	1	53	0.0	-73.90	398.11	10.04	-63.86
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012627733	0	56	0.0	-77.03	421.51	10.27	-66.76
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012627733	1	56	0.0	-77.00	418.16	10.60	-66.40
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012627734	0	58	0.0	-71.27	445.22	12.95	-58.32
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012627734	1	58	0.0	-73.37	445.57	12.84	-60.53
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012627735	0	62	0.0	-53.38	451.44	12.58	-40.80
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012627735	1	62	0.0	-57.17	446.80	12.56	-44.61
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012627736	0	55	0.0	-75.02	413.79	9.30	-65.72
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012627736	1	55	0.0	-74.32	414.30	9.99	-64.33
CO[C@H](C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627737	0	52	0.0	-72.68	408.09	7.16	-65.52
CO[C@H](C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627737	1	52	0.0	-75.86	407.99	7.18	-68.68
CC1[C@@H](C)[C@@]1(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627738	0	52	0.0	-77.45	402.27	9.68	-67.77
CC1[C@@H](C)[C@@]1(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627738	1	52	0.0	-76.35	392.08	9.18	-67.17
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012627739	0	55	0.0	-61.68	434.91	12.75	-48.93
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012627739	1	55	0.0	-61.87	431.29	13.09	-48.78
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012627740	0	55	0.0	-57.77	410.55	10.90	-46.87
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012627740	1	55	0.0	-56.21	412.68	10.89	-45.32
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012627741	0	52	0.0	-79.14	395.43	11.31	-67.83
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012627741	1	52	0.0	-79.21	399.98	11.00	-68.21
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012627742	0	49	0.0	-78.82	386.86	9.87	-68.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012627742	1	49	0.0	-78.96	391.11	9.48	-69.48
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012627743	0	55	0.0	-71.85	439.66	11.41	-60.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012627743	1	55	0.0	-71.63	439.78	11.44	-60.19
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012627744	0	52	0.0	-75.02	424.16	10.28	-64.74
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012627744	1	52	0.0	-73.14	427.82	9.84	-63.30
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012627745	0	52	0.0	-73.48	402.96	10.90	-62.58
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012627745	1	52	0.0	-74.71	402.72	10.96	-63.75
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012627746	0	52	0.0	-75.02	424.16	10.28	-64.74
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012627746	1	52	0.0	-73.14	427.82	9.84	-63.30
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012627747	0	56	0.0	-82.53	412.31	11.38	-71.15
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012627747	1	56	0.0	-83.00	415.15	11.22	-71.78
COCCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627748	0	55	0.0	-71.14	432.91	7.76	-63.38
COCCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627748	1	55	0.0	-71.17	429.94	8.22	-62.95
CCCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627749	0	54	0.0	-71.30	407.97	11.25	-60.05
CCCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627749	1	54	0.0	-71.96	409.50	10.53	-61.43
CCOCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627750	0	52	0.0	-76.32	408.71	7.57	-68.75
CCOCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012627750	1	52	0.0	-73.00	411.29	6.99	-66.01
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012627751	0	57	0.0	-74.20	428.15	10.23	-63.97
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012627751	1	57	0.0	-75.41	429.16	10.37	-65.04
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012627752	0	56	0.0	-74.15	429.57	8.53	-65.62
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012627752	1	56	0.0	-74.18	425.54	8.47	-65.71
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012627753	0	56	0.0	-74.27	430.13	11.61	-62.66
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012627753	1	56	0.0	-73.83	434.28	11.18	-62.65
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012627754	0	53	0.0	-78.38	395.07	9.49	-68.89
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012627754	1	53	0.0	-80.20	400.01	9.36	-70.84
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CCC#N)C(=O)[O-]	REAL300012627755	0	49	0.0	-72.58	398.43	8.26	-64.32
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC(CCC#N)C(=O)[O-]	REAL300012627755	1	49	0.0	-76.43	399.18	8.47	-67.96
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012627756	0	52	0.0	-63.90	410.59	10.47	-53.43
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012627756	1	52	0.0	-55.94	417.17	10.86	-45.08
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300012627757	0	48	0.0	-68.39	369.59	8.96	-59.43
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012627757	1	48	0.0	-70.39	364.35	9.24	-61.15
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300012627758	0	56	0.0	-75.32	431.89	9.66	-65.66
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300012627758	1	56	0.0	-81.12	428.80	10.10	-71.02
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCOC2)CC1	REAL300012627805	0	48	0.0	-64.68	366.08	3.97	-60.71
CC1=CN=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012627977	0	54	0.0	-63.21	418.09	4.91	-58.30
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CC2)CC1	REAL300012628137	0	50	0.0	-62.16	384.12	6.50	-55.66
COC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(F)=C1	REAL300012628343	0	54	0.0	-68.88	426.24	6.73	-62.15
CN(C)C1=CC=CN=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012628627	0	57	0.0	-68.17	439.83	5.54	-62.63
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC(C)(C)O)CC1	REAL300012628834	0	53	0.0	-59.91	395.93	2.91	-57.00
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC(F)(F)C2)CC1	REAL300012629029	0	53	0.0	-63.00	409.84	7.25	-55.75
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C3CCCCC3=N2)CC1	REAL300012629326	0	59	0.0	-63.52	449.10	8.02	-55.50
COC1CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012629575	0	57	0.0	-67.28	421.54	6.53	-60.75
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC(F)(F)C2)CC1	REAL300012630109	0	53	0.0	-61.08	404.64	7.23	-53.85
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCN2C=NC=N2)CC1	REAL300012630334	0	52	0.0	-63.96	404.72	7.37	-56.59
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC(C(F)F)=C2)CC1	REAL300012631365	0	53	0.0	-66.15	423.36	8.28	-57.87
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])OC1=CC=CC(F)=C1	REAL300012631675	0	57	0.0	-59.54	439.89	7.49	-52.05
CC1=CC=CC(OC(C)CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012631980	0	60	0.0	-60.08	454.90	8.10	-51.98
CC1=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632279	1	53	0.0	-65.96	400.78	7.92	-58.04
C=CCOCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632280	1	52	0.0	-66.89	409.01	6.33	-60.56
C=CC(C)C(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632281	1	51	0.0	-65.79	392.91	7.71	-58.08
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C(N2CCCC2)=[NH+]1	REAL300012632282	1	55	0.0	-65.78	409.99	6.55	-59.23
COC1CCN(C(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)C(C(=O)[O-])C1	REAL300012632283	1	55	0.0	-79.00	403.72	8.79	-70.21
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)C(N2CCCC2)=[NH+]1	REAL300012632284	1	55	0.0	-66.60	407.35	6.36	-60.24
CC1=CC=C(CNC(=O)N2CCC(C)CC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632285	1	54	0.0	-77.44	386.62	9.87	-67.57
CC1=CC(C(NC(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)C(=O)[O-])=CC(C)=C1	REAL300012632286	1	57	0.0	-69.74	441.89	9.94	-59.80
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C(N2CCCC2)=[NH+]1	REAL300012632287	1	57	0.0	-69.31	437.24	9.90	-59.41
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C(N2CCCC2)=[NH+]1	REAL300012632288	1	57	0.0	-67.67	429.04	9.64	-58.03
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1	REAL300012632289	1	50	0.0	-50.62	382.31	9.12	-41.50
CC1=CC=C(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)C(N2CCCC2)=[NH+]1	REAL300012632290	1	54	0.0	-52.19	394.50	9.42	-42.77
CCCN(C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(COC)C(=O)[O-]	REAL300012632291	1	57	0.0	-65.44	420.01	8.69	-56.75
CCCN(C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(CC)C(=O)[O-]	REAL300012632292	1	56	0.0	-64.12	402.25	9.76	-54.36
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C(N2CCCC2)=[NH+]1	REAL300012632293	1	50	0.0	-66.73	379.92	7.13	-59.60
CC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632294	1	51	0.0	-77.70	373.09	9.68	-68.02
CC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632295	1	49	0.0	-75.21	372.88	9.59	-65.62
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C(N2CCCC2)=[NH+]1	REAL300012632296	1	54	0.0	-71.89	392.39	8.75	-63.14
CC1=CC=C(CNC(=O)N2CCCC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632297	1	48	0.0	-72.94	361.65	8.45	-64.49
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C(N2CCCC2)=[NH+]1	REAL300012632298	1	51	0.0	-71.76	377.88	7.67	-64.09
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)C(N2CCCC2)=[NH+]1	REAL300012632299	1	57	0.0	-72.62	398.05	9.43	-63.19
CC1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632300	1	54	0.0	-69.49	421.31	9.56	-59.93
CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C(N2CCCC2)=[NH+]1	REAL300012632301	1	54	0.0	-50.73	419.82	11.39	-39.34
CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C(N2CCCC2)=[NH+]1	REAL300012632302	1	51	0.0	-68.46	398.82	8.70	-59.76
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C(N2CCCC2)=[NH+]1	REAL300012632303	1	51	0.0	-68.85	399.06	8.61	-60.24
CCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632304	1	47	0.0	-65.63	362.05	6.56	-59.07
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C(N2CCCC2)=[NH+]1	REAL300012632305	1	50	0.0	-66.73	379.92	7.13	-59.60
CC1=CC=C(CNC(=O)N(C)CC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632306	1	44	0.0	-67.03	339.01	7.37	-59.66
CC1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632307	1	54	0.0	-69.49	421.31	9.56	-59.93
CC1=CC=C(CNC(=O)NC(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632308	1	44	0.0	-56.58	341.05	5.52	-51.06
CCC(C)C(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632309	1	53	0.0	-68.71	393.53	7.53	-61.18
CC1=CC=C(CNC(=O)N(C)CC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632310	1	44	0.0	-67.03	339.01	7.37	-59.66
CC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632311	1	51	0.0	-77.70	373.09	9.68	-68.02
CCCC(C)(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632312	1	53	0.0	-67.92	388.52	7.67	-60.25
CC1=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C(N2CCCC2)=[NH+]1	REAL300012632313	1	50	0.0	-70.62	381.69	7.98	-62.64
CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C(N2CCCC2)=[NH+]1	REAL300012632314	1	48	0.0	-69.59	365.99	8.73	-60.86
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1	REAL300012632315	1	48	0.0	-50.40	373.62	8.93	-41.47
CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C(N2CCCC2)=[NH+]1	REAL300012632316	1	53	0.0	-50.08	396.73	9.42	-40.66
CC1=CC=C(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632317	1	55	0.0	-78.36	411.01	11.70	-66.66
CC1=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632318	1	47	0.0	-54.64	353.63	5.92	-48.72
CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C(N2CCCC2)=[NH+]1	REAL300012632319	1	51	0.0	-69.40	376.52	7.66	-61.74
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C(N2CCCC2)=[NH+]1	REAL300012632320	1	48	0.0	-64.79	390.04	7.73	-57.06
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C(N2CCCC2)=[NH+]1	REAL300012632321	1	54	0.0	-71.89	392.39	8.75	-63.14
CC1=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C(N2CCCC2)=[NH+]1	REAL300012632322	1	50	0.0	-70.62	381.69	7.98	-62.64
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1	REAL300012632323	1	50	0.0	-50.62	382.31	9.12	-41.50
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1	REAL300012632324	1	47	0.0	-67.29	360.83	8.35	-58.94
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632325	1	53	0.0	-67.28	394.12	7.52	-59.76
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C(N2CCCC2)=[NH+]1	REAL300012632326	1	51	0.0	-71.76	377.88	7.67	-64.09
CCC(C)(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632327	1	50	0.0	-66.33	367.03	6.92	-59.41
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C(N2CCCC2)=[NH+]1	REAL300012632328	1	55	0.0	-71.66	418.37	9.94	-61.72
CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(N2CCCC2)=[NH+]1	REAL300012632329	1	54	0.0	-69.87	407.17	9.44	-60.43
CC1=CC=C(CNC(=O)N[C@@H](C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632330	1	44	0.0	-56.21	341.04	5.52	-50.69
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1	REAL300012632331	1	47	0.0	-67.29	360.83	8.35	-58.94
CCCCCCC(C)(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632332	1	62	0.0	-66.85	453.02	10.01	-56.84
CC1=CC=C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632333	1	57	0.0	-65.83	429.89	11.48	-54.35
CC1=CC=C(CNC(=O)N[C@H](C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632334	1	44	0.0	-57.01	341.36	5.49	-51.52
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC2)C(N2CCCC2)=[NH+]1	REAL300012632335	1	45	0.0	-72.50	347.18	6.76	-65.74
CC1=CC=C(CNC(=O)N2CCOCC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632336	1	49	0.0	-74.96	364.10	7.17	-67.79
CC1=CC=C(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C(N2CCCC2)=[NH+]1	REAL300012632337	1	57	0.0	-73.73	401.56	10.12	-63.61
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C(N2CCCC2)=[NH+]1	REAL300012632338	1	48	0.0	-65.36	369.80	7.03	-58.33
CC1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632339	1	57	0.0	-51.62	442.23	12.15	-39.47
CC1=CC=C(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C(N2CCCC2)=[NH+]1	REAL300012632340	1	54	0.0	-64.59	406.79	10.26	-54.33
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1	REAL300012632341	1	51	0.0	-51.15	392.20	7.54	-43.61
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C(N2CCCC2)=[NH+]1	REAL300012632342	1	55	0.0	-72.62	413.73	9.68	-62.94
CC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632343	1	48	0.0	-74.56	363.08	8.13	-66.43
CC1=CC=C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632344	1	51	0.0	-77.14	372.13	9.50	-67.64
CC1=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632345	1	47	0.0	-62.41	353.91	7.61	-54.80
CC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632346	1	48	0.0	-73.04	361.58	8.47	-64.57
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC2)C(N2CCCC2)=[NH+]1	REAL300012632347	1	48	0.0	-72.81	364.00	7.26	-65.55
C=CCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632348	1	48	0.0	-67.29	376.17	7.00	-60.29
CC1=CC=C(CNC(=O)N2CCCC2(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632349	1	51	0.0	-72.92	378.71	9.00	-63.92
CC1=CC=C(CNC(=O)N2CCCCCC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632350	1	54	0.0	-75.31	385.89	10.02	-65.29
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C(N2CCCC2)=[NH+]1	REAL300012632351	1	48	0.0	-65.36	369.80	7.03	-58.33
CC1=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632352	1	47	0.0	-61.98	352.98	7.61	-54.37
CCCCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632353	1	53	0.0	-67.16	405.65	8.15	-59.01
CC1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632354	1	57	0.0	-51.62	442.23	12.15	-39.47
CC1=CC=C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632355	1	51	0.0	-72.91	378.72	9.01	-63.90
CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C(N2CCCC2)=[NH+]1	REAL300012632356	1	54	0.0	-49.71	397.16	9.94	-39.77
COCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632357	1	48	0.0	-67.44	374.74	4.80	-62.64
CCCCCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632358	1	56	0.0	-66.18	427.38	8.88	-57.30
CCC1CCC(NC(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)(C(=O)[O-])CC1	REAL300012632359	1	60	0.0	-71.82	431.46	10.00	-61.82
CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C(N2CCCC2)=[NH+]1	REAL300012632360	1	55	0.0	-50.41	405.58	8.27	-42.14
CC1=CC=C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C(N2CCCC2)=[NH+]1	REAL300012632361	1	54	0.0	-73.37	388.53	9.37	-64.00
CC1=CC=C(CNC(=O)N(C(C)C(=O)[O-])C2CC2)C(N2CCCC2)=[NH+]1	REAL300012632362	1	51	0.0	-62.91	371.05	8.65	-54.26
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C1CC1	REAL300012632363	1	54	0.0	-52.90	399.45	10.08	-42.82
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C(N2CCCC2)=[NH+]1	REAL300012632364	1	51	0.0	-73.39	403.46	8.72	-64.67
CC1=CC=C(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632365	1	55	0.0	-55.21	413.80	11.06	-44.15
CC1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632366	1	60	0.0	-68.38	443.20	9.80	-58.58
CC1=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)C(N2CCCC2)=[NH+]1	REAL300012632367	1	57	0.0	-50.14	426.99	11.93	-38.21
CC1=CC=C(C(NC(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)C(=O)[O-])C=C1	REAL300012632368	1	54	0.0	-68.53	420.21	9.38	-59.15
CC1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632369	1	47	0.0	-60.03	377.99	7.27	-52.76
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCSCC2)C(N2CCCC2)=[NH+]1	REAL300012632370	1	52	0.0	-67.88	390.08	8.45	-59.43
COCC(C)(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632371	1	51	0.0	-70.62	385.27	6.21	-64.41
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1	REAL300012632372	1	54	0.0	-63.13	404.71	8.05	-55.08
CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C(N2CCCC2)=[NH+]1	REAL300012632373	1	53	0.0	-50.08	396.73	9.42	-40.66
CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C(N2CCCC2)=[NH+]1	REAL300012632374	1	48	0.0	-69.59	365.99	8.73	-60.86
CC1=CC=C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632375	1	50	0.0	-50.52	400.45	9.50	-41.02
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC2)C(N2CCCC2)=[NH+]1	REAL300012632376	1	49	0.0	-66.13	368.52	5.05	-61.08
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C(N2CCCC2)=[NH+]1	REAL300012632377	1	57	0.0	-68.89	415.94	8.83	-60.06
CC1=CC=C(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632378	1	58	0.0	-63.95	432.63	9.43	-54.52
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOCC2)C(N2CCCC2)=[NH+]1	REAL300012632379	1	52	0.0	-71.15	383.81	6.26	-64.89
C=CCCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632380	1	51	0.0	-65.04	396.36	7.88	-57.16
CC1=CC=C(CNC(=O)NC(CF)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632381	1	44	0.0	-54.28	344.67	5.54	-48.74
CC1=CC=C(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632382	1	57	0.0	-52.57	423.71	11.22	-41.35
CC1=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632383	1	47	0.0	-61.98	352.98	7.61	-54.37
CCC(CC)(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632384	1	53	0.0	-67.66	383.69	7.81	-59.85
COC1=CC=C(C(NC(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)C(=O)[O-])C=C1	REAL300012632385	1	55	0.0	-67.26	428.51	7.93	-59.33
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1	REAL300012632386	1	53	0.0	-49.42	392.97	9.95	-39.47
CCC(COC)(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632387	1	54	0.0	-73.47	401.70	7.12	-66.35
CC1=CC=C(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632388	1	57	0.0	-64.02	425.54	8.61	-55.41
CC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632389	1	51	0.0	-66.11	394.49	8.10	-58.01
COCCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632390	1	51	0.0	-65.77	395.72	5.62	-60.15
CC1=CC=C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632391	1	56	0.0	-64.49	413.56	10.08	-54.41
CC1=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632392	1	47	0.0	-67.07	375.23	6.83	-60.24
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1	REAL300012632393	1	57	0.0	-75.20	414.00	10.70	-64.50
CCCN(C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(C)C(=O)[O-]	REAL300012632394	1	53	0.0	-65.26	392.14	9.07	-56.19
CC1=CC=C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632395	1	57	0.0	-54.62	425.45	11.30	-43.32
CCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012632396	1	57	0.0	-70.68	423.81	10.29	-60.39
CC1=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632397	1	47	0.0	-64.17	368.63	6.70	-57.47
COC1(CC(NC(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)C(=O)[O-])CCC1	REAL300012632398	1	58	0.0	-70.98	431.03	7.63	-63.35
CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C(N2CCCC2)=[NH+]1	REAL300012632399	1	55	0.0	-50.41	405.58	8.27	-42.14
CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)C(N2CCCC2)=[NH+]1	REAL300012632400	1	57	0.0	-50.13	414.56	10.64	-39.49
CC1=CC=C(CNC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)C(N2CCCC2)=[NH+]1	REAL300012632401	1	57	0.0	-71.03	406.18	9.14	-61.89
COC1=CC=CC(C(NC(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)C(=O)[O-])=C1	REAL300012632402	1	55	0.0	-69.91	428.52	7.92	-61.99
CC1=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632403	1	50	0.0	-64.52	373.61	7.05	-57.47
CC1=CC=C(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632404	1	52	0.0	-54.91	395.81	9.09	-45.82
CC1=CC=C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632405	1	48	0.0	-68.52	376.70	8.21	-60.31
COC1=CC=CC([C@H](NC(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)C(=O)[O-])=C1	REAL300012632406	1	55	0.0	-69.92	428.50	7.90	-62.02
CC1=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632407	1	47	0.0	-62.03	352.85	7.55	-54.48
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C(N2CCCC2)=[NH+]1	REAL300012632408	1	60	0.0	-73.12	420.21	9.62	-63.50
CC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C(N2CCCC2)=[NH+]1	REAL300012632409	1	49	0.0	-77.45	366.73	9.07	-68.38
COC1CN(C(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)C(C)(C(=O)[O-])C1	REAL300012632410	1	55	0.0	-71.30	411.56	8.03	-63.27
CC1=CC=C(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632411	1	58	0.0	-64.87	429.87	8.14	-56.73
CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(N2CCCC2)=[NH+]1	REAL300012632412	1	53	0.0	-66.25	392.05	7.67	-58.58
C=C(Cl)CC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632413	1	48	0.0	-63.47	391.37	7.66	-55.81
C=C(C)CC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632414	1	51	0.0	-68.23	393.64	8.01	-60.22
CC1=CC=C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C(N2CCCC2)=[NH+]1	REAL300012632415	1	52	0.0	-81.95	383.42	9.90	-72.05
CC1=CC=C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632416	1	48	0.0	-66.05	374.58	8.64	-57.41
CC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632417	1	48	0.0	-70.23	368.19	8.55	-61.68
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)C1	REAL300012632418	1	49	0.0	-74.34	386.16	7.84	-66.50
CC1=CC=C(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632419	1	58	0.0	-67.34	429.90	8.08	-59.26
CC1=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632420	1	53	0.0	-65.96	400.78	7.92	-58.04
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C(N2CCCC2)=[NH+]1	REAL300012632421	1	55	0.0	-65.78	409.99	6.55	-59.23
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C(N2CCCC2)=[NH+]1	REAL300012632422	1	51	0.0	-68.85	399.06	8.61	-60.24
CC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632423	1	51	0.0	-66.11	394.49	8.10	-58.01
CC1=CC=C(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632424	1	50	0.0	-67.87	407.79	6.75	-61.12
CC1=CC=C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632425	1	59	0.0	-65.57	444.11	9.40	-56.17
CC1=CC=C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632426	1	55	0.0	-71.70	418.83	7.00	-64.70
CSCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632427	1	48	0.0	-64.56	386.35	6.96	-57.60
COC[C@H](NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632428	1	48	0.0	-66.93	374.25	4.78	-62.15
CC[C@H](NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632429	1	47	0.0	-65.64	362.05	6.56	-59.08
CCC(C)CC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632430	1	56	0.0	-66.68	419.82	8.51	-58.17
C=CCCCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632431	1	54	0.0	-67.22	418.46	8.72	-58.50
CC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632432	1	49	0.0	-75.21	372.88	9.59	-65.62
CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(N2CCCC2)=[NH+]1	REAL300012632433	1	54	0.0	-69.87	407.17	9.44	-60.43
CC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632434	1	48	0.0	-74.56	363.08	8.13	-66.43
CCCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632435	1	50	0.0	-65.56	383.55	7.32	-58.24
CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C(N2CCCC2)=[NH+]1	REAL300012632436	1	50	0.0	-67.13	374.32	6.95	-60.18
CC1=CC=C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632437	1	52	0.0	-79.99	384.17	9.97	-70.02
CCN(C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(C)(C)C(=O)[O-]	REAL300012632438	1	53	0.0	-71.52	386.63	9.33	-62.19
CCCN(C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(C)C(=O)[O-]	REAL300012632439	1	53	0.0	-65.26	392.14	9.07	-56.19
CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C(N2CCCC2)=[NH+]1	REAL300012632440	1	47	0.0	-62.24	375.44	8.87	-53.37
CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C(N2CCCC2)=[NH+]1	REAL300012632441	1	47	0.0	-62.24	375.44	8.87	-53.37
CC1=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632442	1	50	0.0	-69.56	367.52	8.47	-61.09
CC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632443	1	48	0.0	-73.04	361.58	8.47	-64.57
CC1=CC=C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632444	1	49	0.0	-76.59	373.61	4.77	-71.82
CC1=CC=C(CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632445	1	55	0.0	-47.00	415.92	11.49	-35.51
CCC[C@@H](NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632446	1	50	0.0	-67.68	384.36	7.31	-60.37
CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C(N2CCCC2)=[NH+]1	REAL300012632447	1	51	0.0	-68.46	398.82	8.70	-59.76
CC1=CC=C(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632448	1	56	0.0	-67.61	438.33	8.58	-59.03
C=CCCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632449	1	51	0.0	-65.04	396.36	7.88	-57.16
CC1=CC=C(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632450	1	50	0.0	-70.25	407.59	6.62	-63.63
CC1=CC=C(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632451	1	51	0.0	-83.12	392.16	6.00	-77.12
CC1=CC=C(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632452	1	52	0.0	-67.01	388.87	7.51	-59.50
CC1=CC=C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632453	1	51	0.0	-74.20	378.76	9.02	-65.18
CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C(N2CCCC2)=[NH+]1	REAL300012632454	1	50	0.0	-65.40	374.00	6.85	-58.55
CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C(N2CCCC2)=[NH+]1	REAL300012632455	1	51	0.0	-67.41	399.00	8.61	-58.80
CC1=CC=C(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632456	1	54	0.0	-71.24	408.50	7.95	-63.29
CC1=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632457	1	47	0.0	-62.03	352.85	7.55	-54.48
CCC[C@H](NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632458	1	50	0.0	-65.54	383.54	7.34	-58.20
CCN(C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(C)C(=O)[O-]	REAL300012632459	1	50	0.0	-63.02	370.59	8.40	-54.62
CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C(N2CCCC2)=[NH+]1	REAL300012632460	1	54	0.0	-49.71	397.16	9.94	-39.77
CC1=CC=C(CNC(=O)N(C)CC(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632461	1	50	0.0	-67.59	373.24	8.01	-59.58
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632462	1	53	0.0	-67.28	394.12	7.52	-59.76
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1	REAL300012632463	1	50	0.0	-62.95	373.31	8.54	-54.41
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C(N2CCCC2)=[NH+]1	REAL300012632464	1	52	0.0	-72.88	396.27	4.55	-68.33
CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C(N2CCCC2)=[NH+]1	REAL300012632465	1	60	0.0	-68.37	446.73	7.81	-60.56
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)C(N2CCCC2)=[NH+]1	REAL300012632466	1	54	0.0	-72.13	398.94	8.28	-63.85
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C(N2CCCC2)=[NH+]1	REAL300012632467	1	57	0.0	-71.09	408.39	9.01	-62.08
COCCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632468	1	51	0.0	-65.77	395.72	5.62	-60.15
CC1=CC=C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632469	1	57	0.0	-65.83	429.89	11.48	-54.35
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(N2CCCC2)=[NH+]1	REAL300012632470	1	54	0.0	-73.48	400.43	8.97	-64.51
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C(N2CCCC2)=[NH+]1	REAL300012632471	1	51	0.0	-69.26	384.34	7.89	-61.37
CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C(N2CCCC2)=[NH+]1	REAL300012632472	1	60	0.0	-68.65	446.53	7.86	-60.79
CC1=CC=C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632473	1	49	0.0	-81.43	373.59	4.94	-76.49
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOC2)C(N2CCCC2)=[NH+]1	REAL300012632474	1	52	0.0	-65.91	390.05	5.56	-60.35
CC1=CC=C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632475	1	52	0.0	-77.61	383.73	9.59	-68.02
CC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C(N2CCCC2)=[NH+]1	REAL300012632476	1	50	0.0	-75.51	374.22	7.08	-68.43
CC1=CC=C(CNC(=O)N2CC(C)CCC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632477	1	54	0.0	-77.90	393.99	10.40	-67.50
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C(N2CCCC2)=[NH+]1	REAL300012632478	1	57	0.0	-66.56	436.44	9.87	-56.69
CC1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632479	1	58	0.0	-67.71	431.10	10.35	-57.36
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C(N2CCCC2)=[NH+]1	REAL300012632480	1	51	0.0	-68.52	383.02	7.43	-61.09
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C(N2CCCC2)=[NH+]1	REAL300012632481	1	57	0.0	-68.89	415.94	8.83	-60.06
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C(N2CCCC2)=[NH+]1	REAL300012632482	1	51	0.0	-68.52	383.02	7.43	-61.09
CC1=CC=C(CNC(=O)N2CCC(C)C2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632483	1	51	0.0	-75.31	377.81	8.61	-66.70
C=CCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632484	1	48	0.0	-67.29	376.17	7.00	-60.29
CC1=CC=C(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632485	1	58	0.0	-67.33	435.12	8.27	-59.06
CC1=CC=C(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C(N2CCCC2)=[NH+]1	REAL300012632486	1	58	0.0	-43.32	414.40	9.58	-33.74
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C(N2CCCC2)=[NH+]1	REAL300012632487	1	58	0.0	-72.07	412.80	7.56	-64.51
CC1=CC=C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632488	1	52	0.0	-48.26	391.81	8.68	-39.58
CC1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632489	1	58	0.0	-67.71	431.10	10.35	-57.36
COC1CC(NC(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)(C(=O)[O-])C1	REAL300012632490	1	52	0.0	-75.12	397.46	6.22	-68.90
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C(N2CCCC2)=[NH+]1	REAL300012632491	1	48	0.0	-70.88	372.42	7.28	-63.60
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)(C(=O)[O-])C1	REAL300012632492	1	52	0.0	-68.57	395.76	6.14	-62.43
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1	REAL300012632493	1	54	0.0	-74.90	392.56	9.97	-64.93
CC1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632494	1	47	0.0	-60.03	377.99	7.27	-52.76
CC1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632495	1	55	0.0	-68.27	417.59	6.62	-61.65
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])COC2)C(N2CCCC2)=[NH+]1	REAL300012632496	1	46	0.0	-66.53	354.83	4.30	-62.23
CC1=CC=C(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632497	1	51	0.0	-68.30	413.19	8.62	-59.68
CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C(N2CCCC2)=[NH+]1	REAL300012632498	1	53	0.0	-67.14	381.94	7.55	-59.59
CC1=CC=C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632499	1	49	0.0	-78.38	368.34	9.65	-68.73
CC1=CC=C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632500	1	52	0.0	-77.00	385.06	9.03	-67.97
CC1=CC=C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632501	1	57	0.0	-54.62	425.45	11.30	-43.32
CC1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632502	1	60	0.0	-68.38	443.20	9.80	-58.58
CC1=CC=C(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632503	1	57	0.0	-67.26	444.28	10.35	-56.91
CC1=CC=C(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632504	1	57	0.0	-68.76	444.28	10.33	-58.43
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C(N2CCCC2)=[NH+]1	REAL300012632505	1	58	0.0	-69.94	425.59	9.31	-60.63
CC1=CC=C(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632506	1	60	0.0	-68.39	443.20	9.81	-58.58
CC1=CC=C(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632507	1	60	0.0	-67.24	443.21	9.80	-57.44
CC1=CC=C(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632508	1	58	0.0	-48.31	431.17	9.67	-38.64
CC1=CC=C(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632509	1	58	0.0	-76.83	419.15	10.24	-66.59
C=CCSCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632510	1	52	0.0	-63.79	420.63	8.43	-55.36
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1	REAL300012632511	1	53	0.0	-63.75	387.59	9.36	-54.39
COC1(C(NC(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)C(=O)[O-])CCC1	REAL300012632512	1	55	0.0	-63.97	410.00	6.14	-57.83
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C(N2CCCC2)=[NH+]1	REAL300012632513	1	51	0.0	-75.25	395.86	8.11	-67.14
CC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632515	1	48	0.0	-70.23	368.19	8.55	-61.68
CC1=CC=C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632516	1	50	0.0	-47.25	377.72	9.27	-37.98
CC1=CC=C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632517	1	54	0.0	-74.30	393.95	9.41	-64.89
CC1=CC=C(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632518	1	58	0.0	-77.21	415.12	11.01	-66.20
CC1=CC=C(CNC(=O)NC(CCC(C)C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632519	1	56	0.0	-65.75	422.61	8.62	-57.13
CC1=CC=C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632520	1	55	0.0	-48.58	416.40	9.20	-39.38
CC1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632521	1	55	0.0	-68.27	417.59	6.62	-61.65
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)C1	REAL300012632522	1	52	0.0	-71.49	405.88	9.43	-62.06
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C(N2CCCC2)=[NH+]1	REAL300012632523	1	55	0.0	-72.84	398.22	9.41	-63.43
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C(N2CCCC2)=[NH+]1	REAL300012632524	1	52	0.0	-72.32	385.37	8.49	-63.83
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C(N2CCCC2)=[NH+]1	REAL300012632525	1	55	0.0	-71.66	406.62	8.88	-62.78
CC1=CC=C(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632526	1	57	0.0	-66.32	431.88	11.62	-54.70
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCC2)C(N2CCCC2)=[NH+]1	REAL300012632527	1	54	0.0	-68.13	399.04	8.13	-60.00
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632528	1	51	0.0	-66.67	392.40	5.78	-60.89
CC1=CC=C(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C(N2CCCC2)=[NH+]1	REAL300012632529	1	51	0.0	-70.58	377.92	7.83	-62.75
CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C(N2CCCC2)=[NH+]1	REAL300012632530	1	54	0.0	-50.73	419.82	11.39	-39.34
CC1=CC=C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632531	1	54	0.0	-48.67	409.38	8.48	-40.19
CC1=CC=C(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632532	1	51	0.0	-74.52	383.82	9.61	-64.91
CC1=CC=C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632533	1	48	0.0	-76.15	373.31	8.59	-67.56
CC1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632534	1	51	0.0	-66.88	411.31	8.49	-58.39
CC1=CC=C(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632535	1	51	0.0	-65.46	390.83	9.14	-56.32
CC1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632536	1	51	0.0	-66.88	411.31	8.49	-58.39
CC1=CC=C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632537	1	55	0.0	-77.12	400.55	9.81	-67.31
COCCCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632538	1	54	0.0	-66.52	417.82	6.44	-60.08
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1	REAL300012632539	1	53	0.0	-63.10	395.85	9.46	-53.64
CCOCC(NC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300012632540	1	51	0.0	-69.28	396.60	5.76	-63.52
CC1=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632541	1	56	0.0	-67.02	413.29	8.91	-58.11
CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCO2)C(N2CCCC2)=[NH+]1	REAL300012632542	1	55	0.0	-69.19	414.11	7.10	-62.09
CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C(N2CCCC2)=[NH+]1	REAL300012632543	1	55	0.0	-71.66	418.37	9.94	-61.72
CC1=CC=C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632544	1	52	0.0	-76.49	395.81	7.40	-69.09
CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C(N2CCCC2)=[NH+]1	REAL300012632546	1	51	0.0	-51.96	401.49	9.50	-42.46
CC1=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300012632547	1	47	0.0	-62.41	353.91	7.61	-54.80
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)C1	REAL300012632548	1	55	0.0	-70.34	427.42	7.86	-62.48
CC(C)C[C@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634295	0	53	0.0	-77.56	404.25	6.29	-71.27
C=CCOCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634296	0	52	0.0	-78.82	411.96	4.67	-74.15
C=CC(C)C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634297	0	51	0.0	-78.09	390.63	5.81	-72.28
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCOCC1	REAL300012634298	0	55	0.0	-81.28	410.32	4.68	-76.60
COC1CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C(C(=O)[O-])C1	REAL300012634299	0	55	0.0	-89.66	407.87	6.83	-82.83
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCOC1	REAL300012634300	0	55	0.0	-76.62	410.29	4.72	-71.90
CC1CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C(C(=O)[O-])C1	REAL300012634301	0	54	0.0	-90.10	396.84	8.69	-81.41
CC1=CC(C)=CC(C(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])=C1	REAL300012634302	0	57	0.0	-80.21	444.59	8.37	-71.84
CC1=CC=C(C(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])C=C1C	REAL300012634303	0	57	0.0	-80.55	440.38	8.18	-72.37
CC1=CC=CC(C(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])=C1C	REAL300012634304	0	57	0.0	-79.86	431.99	8.00	-71.86
CCCN(CC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634305	0	50	0.0	-64.65	385.26	7.45	-57.20
CC(C(=O)[O-])N(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCC1	REAL300012634306	0	54	0.0	-65.30	397.85	7.84	-57.46
CCCN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(COC)C(=O)[O-]	REAL300012634307	0	57	0.0	-82.96	427.23	8.44	-74.52
CCCN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(CC)C(=O)[O-]	REAL300012634308	0	56	0.0	-80.70	413.34	9.06	-71.64
CC(C)C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634309	0	50	0.0	-76.40	380.01	5.44	-70.96
O=C([O-])C1CCCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634310	0	51	0.0	-89.89	375.92	8.06	-81.83
O=C([O-])C1CSCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634311	0	49	0.0	-86.11	375.71	7.92	-78.19
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCCCC1	REAL300012634312	0	54	0.0	-82.77	395.34	7.11	-75.66
O=C([O-])C1CCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634313	0	48	0.0	-84.80	364.58	6.80	-78.00
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCCC1	REAL300012634314	0	51	0.0	-82.72	380.83	6.02	-76.70
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCCCCC1	REAL300012634315	0	57	0.0	-83.48	401.01	7.78	-75.70
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634316	0	54	0.0	-79.37	424.01	7.97	-71.40
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634317	0	54	0.0	-65.08	422.76	9.70	-55.38
O=C([O-])[C@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012634318	0	51	0.0	-79.63	402.00	6.98	-72.65
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012634319	0	51	0.0	-79.15	401.35	7.00	-72.15
CCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634320	0	47	0.0	-77.46	365.83	4.91	-72.55
CC(C)C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634321	0	50	0.0	-76.40	380.01	5.44	-70.96
CN(CC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634322	0	44	0.0	-76.67	341.95	5.72	-70.95
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634323	0	54	0.0	-79.37	424.01	7.97	-71.40
CC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634324	0	44	0.0	-66.21	344.00	3.88	-62.33
CCC(C)C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634325	0	53	0.0	-77.65	395.41	5.83	-71.82
CN(CC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634326	0	44	0.0	-76.67	341.95	5.72	-70.95
O=C([O-])C1CCCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634327	0	51	0.0	-89.89	375.92	8.06	-81.83
CCCC(C)(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634328	0	53	0.0	-79.00	391.47	6.02	-72.98
CC(C)N(CC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634329	0	50	0.0	-65.30	373.88	6.97	-58.33
O=C([O-])CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012634330	0	48	0.0	-65.47	367.01	7.22	-58.25
C=CCN(CC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634331	0	48	0.0	-64.41	376.57	7.26	-57.15
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634332	0	53	0.0	-64.71	399.91	7.97	-56.74
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634333	0	55	0.0	-89.41	413.50	9.93	-79.48
CC(C)(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634334	0	47	0.0	-64.31	356.57	4.28	-60.03
CC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)(C(=O)[O-])C1CC1	REAL300012634335	0	51	0.0	-80.62	379.46	6.03	-74.59
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CS1	REAL300012634336	0	48	0.0	-77.41	393.62	6.05	-71.36
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCCCC1	REAL300012634337	0	54	0.0	-82.77	395.34	7.11	-75.66
CC(C)N(CC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634338	0	50	0.0	-65.30	373.88	6.97	-58.33
CCCN(CC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634339	0	50	0.0	-64.65	385.26	7.45	-57.20
CCN(CC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634340	0	47	0.0	-77.01	363.76	6.70	-70.31
CC[C@H](C)[C@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634341	0	53	0.0	-77.62	395.40	5.83	-71.79
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCCC1	REAL300012634342	0	51	0.0	-82.72	380.83	6.02	-76.70
CCC(C)(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634343	0	50	0.0	-78.64	369.97	5.26	-73.38
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC2=CC=CC=C2C1	REAL300012634344	0	55	0.0	-82.35	419.92	8.14	-74.21
CC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012634345	0	54	0.0	-81.09	409.78	7.75	-73.34
C[C@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634346	0	44	0.0	-66.16	343.83	3.90	-62.26
CCN(CC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634347	0	47	0.0	-77.01	363.76	6.70	-70.31
CCCCCCC(C)(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634348	0	62	0.0	-79.22	455.96	8.35	-70.87
CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012634349	0	57	0.0	-75.55	433.33	9.93	-65.62
C[C@@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634350	0	44	0.0	-66.59	344.31	3.84	-62.75
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300012634351	0	45	0.0	-84.43	350.14	5.10	-79.33
O=C([O-])C1COCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634352	0	49	0.0	-85.60	367.08	5.40	-80.20
CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1(C(=O)[O-])CCCCC1	REAL300012634353	0	57	0.0	-84.18	404.59	8.41	-75.77
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012634354	0	48	0.0	-78.34	370.06	5.37	-72.97
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634355	0	57	0.0	-65.67	445.16	10.48	-55.19
CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012634356	0	54	0.0	-85.25	412.38	8.50	-76.75
COCCN(CC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634357	0	51	0.0	-65.20	395.14	5.88	-59.32
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCC2=CC=CC=C21	REAL300012634358	0	55	0.0	-85.85	416.68	8.03	-77.82
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634359	0	48	0.0	-85.18	365.34	6.49	-78.69
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634360	0	51	0.0	-88.67	375.44	7.81	-80.86
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634361	0	47	0.0	-71.89	356.85	5.95	-65.94
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634362	0	48	0.0	-84.78	364.59	6.80	-77.98
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCC1	REAL300012634363	0	48	0.0	-83.67	366.95	5.62	-78.05
C=CCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634364	0	48	0.0	-76.62	378.31	5.36	-71.26
CC1(C(=O)[O-])CCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634365	0	51	0.0	-84.83	381.66	7.36	-77.47
O=C([O-])C1CCCCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634366	0	54	0.0	-88.56	388.74	8.45	-80.11
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012634367	0	48	0.0	-78.34	370.06	5.37	-72.97
CC(C(=O)[O-])N(C)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634368	0	47	0.0	-72.07	356.35	5.84	-66.23
CCCCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634369	0	53	0.0	-76.82	407.99	6.45	-70.37
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634370	0	57	0.0	-65.67	445.16	10.48	-55.19
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634371	0	51	0.0	-84.68	381.72	7.35	-77.33
O=C([O-])CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCC1	REAL300012634372	0	54	0.0	-64.15	400.08	8.26	-55.89
COCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634373	0	48	0.0	-78.66	377.20	3.12	-75.54
CCCCCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634374	0	56	0.0	-77.28	430.32	7.23	-70.05
CCC1CCC(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])CC1	REAL300012634375	0	60	0.0	-82.64	434.42	8.36	-74.28
O=C([O-])CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCOCC1	REAL300012634376	0	55	0.0	-64.51	408.54	6.60	-57.91
CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1(C(=O)[O-])CCCC1	REAL300012634377	0	54	0.0	-85.30	391.27	7.71	-77.59
CC(C(=O)[O-])N(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012634378	0	51	0.0	-64.75	382.20	7.28	-57.47
CCC(C(=O)[O-])N(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012634379	0	54	0.0	-64.01	403.67	8.57	-55.44
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1F	REAL300012634380	0	51	0.0	-84.39	405.56	7.06	-77.33
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634381	0	55	0.0	-67.23	416.91	9.39	-57.84
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634382	0	60	0.0	-78.03	445.93	8.16	-69.87
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634383	0	57	0.0	-64.85	430.39	9.79	-55.06
CC1=CC=C(C(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])C=C1	REAL300012634384	0	54	0.0	-79.24	422.77	7.67	-71.57
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634385	0	47	0.0	-71.90	381.76	5.59	-66.31
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCSCC1	REAL300012634386	0	52	0.0	-78.27	393.04	6.80	-71.47
COCC(C)(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634387	0	51	0.0	-82.83	388.21	4.55	-78.28
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634388	0	54	0.0	-73.44	407.59	6.39	-67.05
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634389	0	53	0.0	-64.71	399.91	7.97	-56.74
O=C([O-])CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012634390	0	48	0.0	-65.47	367.01	7.22	-58.25
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634391	0	50	0.0	-63.67	403.39	7.83	-55.84
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCOC1	REAL300012634392	0	49	0.0	-78.17	371.47	3.39	-74.78
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCCC1	REAL300012634393	0	57	0.0	-79.39	418.90	7.18	-72.21
CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012634394	0	58	0.0	-74.52	434.57	7.66	-66.86
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCOCC1	REAL300012634395	0	52	0.0	-81.26	386.77	4.61	-76.65
C=CCCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634396	0	51	0.0	-77.04	400.14	6.23	-70.81
O=C([O-])C(CF)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634397	0	44	0.0	-64.26	347.45	3.92	-60.34
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634398	0	57	0.0	-60.97	430.11	10.65	-50.32
CC(C(=O)[O-])N(C)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634399	0	47	0.0	-72.07	356.35	5.84	-66.23
CCC(CC)(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634400	0	53	0.0	-79.97	386.64	6.16	-73.81
COC1=CC=C(C(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])C=C1	REAL300012634401	0	55	0.0	-78.78	430.85	6.30	-72.48
CCC(C)N(CC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634402	0	53	0.0	-63.15	397.07	8.15	-55.00
CCC(COC)(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634403	0	54	0.0	-84.23	404.88	5.46	-78.77
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634404	0	57	0.0	-74.02	427.86	7.14	-66.88
O=C([O-])C(CC1CC1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634405	0	51	0.0	-77.45	397.43	6.46	-70.99
COCCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634406	0	51	0.0	-76.75	398.67	3.97	-72.78
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634407	0	56	0.0	-73.32	414.11	8.22	-65.10
O=C([O-])C(CC(F)F)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634408	0	47	0.0	-76.30	378.18	5.19	-71.11
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634409	0	57	0.0	-87.56	416.34	9.30	-78.26
CCCN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(C)C(=O)[O-]	REAL300012634410	0	53	0.0	-62.33	396.30	8.27	-54.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634411	0	57	0.0	-80.17	430.08	10.34	-69.83
CCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012634412	0	57	0.0	-81.92	426.76	8.65	-73.27
O=C([O-])C(CCF)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634413	0	47	0.0	-75.13	371.58	5.06	-70.07
COC1(CC(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])CCC1	REAL300012634414	0	58	0.0	-80.05	437.32	5.98	-74.07
O=C([O-])CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCOCC1	REAL300012634415	0	55	0.0	-64.51	408.54	6.60	-57.91
O=C([O-])CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCCC1	REAL300012634416	0	57	0.0	-64.62	417.49	8.98	-55.64
C[C@H]1CC[C@@](NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])CC1	REAL300012634417	0	57	0.0	-83.01	409.14	7.49	-75.52
COC1=CC=CC(C(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])=C1	REAL300012634418	0	55	0.0	-81.95	431.46	6.26	-75.69
CC(CCF)(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634419	0	50	0.0	-75.25	376.56	5.41	-69.84
O=C([O-])C1C2=C(CCN1C(=O)NCC1CCN(C3=CC=[NH+]C=C3)CC1)OC=C2	REAL300012634420	0	52	0.0	-68.01	398.73	7.44	-60.57
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634421	0	48	0.0	-77.44	378.33	6.65	-70.79
COC1=CC=CC([C@H](NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])=C1	REAL300012634422	0	55	0.0	-81.95	431.46	6.26	-75.69
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634423	0	47	0.0	-72.53	355.78	5.89	-66.64
CC1(C)CCCC(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])C1	REAL300012634424	0	60	0.0	-84.26	423.24	7.97	-76.29
O=C([O-])C12CC(C1)CN2C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634425	0	49	0.0	-90.77	371.89	7.43	-83.34
COC1CN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C(C)(C(=O)[O-])C1	REAL300012634426	0	55	0.0	-84.43	414.98	6.33	-78.10
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634427	0	58	0.0	-77.97	437.20	5.72	-72.25
CC(C)(C)[C@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634428	0	53	0.0	-78.98	396.61	6.01	-72.97
C=C(Cl)CC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634429	0	48	0.0	-77.97	395.10	5.96	-72.01
C=C(C)CC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634430	0	51	0.0	-77.02	398.85	6.11	-70.91
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634431	0	52	0.0	-92.87	386.38	8.25	-84.62
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634432	0	48	0.0	-77.25	377.53	6.97	-70.28
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634433	0	48	0.0	-81.65	371.08	6.88	-74.77
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300012634434	0	49	0.0	-84.98	378.80	6.85	-78.13
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634435	0	58	0.0	-78.77	437.29	5.72	-73.05
CC(C)C[C@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634436	0	53	0.0	-77.56	404.25	6.29	-71.27
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCOCC1	REAL300012634437	0	55	0.0	-81.28	410.32	4.68	-76.60
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012634438	0	51	0.0	-79.15	401.35	7.00	-72.15
O=C([O-])C(CC1CC1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634439	0	51	0.0	-77.45	397.43	6.46	-70.99
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634440	0	50	0.0	-76.39	410.79	5.09	-71.30
CC(C)CCCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634441	0	59	0.0	-76.88	447.06	7.74	-69.14
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634442	0	55	0.0	-82.21	421.78	5.34	-76.87
CSCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634443	0	48	0.0	-74.72	388.62	5.34	-69.38
COC[C@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634444	0	48	0.0	-78.74	377.19	3.12	-75.62
CC[C@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634445	0	47	0.0	-77.44	365.80	4.89	-72.55
CCC(C)CC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634446	0	56	0.0	-77.33	421.93	6.87	-70.46
C=CCCCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634447	0	54	0.0	-76.56	420.80	7.02	-69.54
O=C([O-])C1CSCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634448	0	49	0.0	-86.11	375.71	7.92	-78.19
CC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012634449	0	54	0.0	-81.09	409.78	7.75	-73.34
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634450	0	48	0.0	-85.18	365.34	6.49	-78.69
CCCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634451	0	50	0.0	-76.93	386.49	5.67	-71.26
CC(C)[C@@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634452	0	50	0.0	-77.97	377.94	5.23	-72.74
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634453	0	52	0.0	-92.01	386.22	8.35	-83.66
CCN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012634454	0	53	0.0	-82.27	390.50	7.64	-74.63
CCCN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(C)C(=O)[O-]	REAL300012634455	0	53	0.0	-62.33	396.30	8.27	-54.06
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634456	0	47	0.0	-72.05	378.37	7.20	-64.85
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634457	0	47	0.0	-72.05	378.37	7.20	-64.85
CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012634458	0	50	0.0	-82.16	370.97	6.80	-75.36
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634459	0	48	0.0	-84.78	364.59	6.80	-77.98
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634460	0	49	0.0	-86.60	376.58	3.10	-83.50
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634461	0	55	0.0	-64.85	420.39	9.71	-55.14
CCC[C@@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634462	0	50	0.0	-77.13	387.09	5.73	-71.40
O=C([O-])[C@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012634463	0	51	0.0	-79.63	402.00	6.98	-72.65
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634464	0	56	0.0	-78.99	442.11	6.92	-72.07
C=CCCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634465	0	51	0.0	-77.04	400.14	6.23	-70.81
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634466	0	50	0.0	-80.44	410.53	4.97	-75.47
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634467	0	51	0.0	-93.83	395.08	4.37	-89.46
CN1CC(C(=O)[O-])N(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1=O	REAL300012634468	0	52	0.0	-79.47	392.82	6.05	-73.42
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634469	0	51	0.0	-84.83	381.68	7.35	-77.48
CC(C)[C@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634470	0	50	0.0	-76.99	376.95	5.20	-71.79
O=C([O-])[C@@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012634471	0	51	0.0	-79.56	401.95	6.97	-72.59
CC(CN1C=CC=N1)(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634472	0	54	0.0	-82.05	411.41	6.29	-75.76
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634473	0	47	0.0	-72.53	355.78	5.89	-66.64
CCC[C@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634474	0	50	0.0	-76.90	386.49	5.67	-71.23
CCN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(C)C(=O)[O-]	REAL300012634475	0	50	0.0	-79.93	376.75	7.43	-72.50
O=C([O-])CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCC1	REAL300012634476	0	54	0.0	-64.15	400.08	8.26	-55.89
CC(CN(C)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634477	0	50	0.0	-75.62	377.06	6.38	-69.24
CC[C@H](C)[C@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634478	0	53	0.0	-77.62	395.40	5.83	-71.79
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634479	0	50	0.0	-73.03	376.21	7.03	-66.00
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC(CO)C1	REAL300012634480	0	52	0.0	-84.06	399.22	2.91	-81.15
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634481	0	60	0.0	-79.30	446.28	6.07	-73.23
CC1CCC(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])C1	REAL300012634482	0	54	0.0	-83.07	401.90	6.64	-76.43
CC1(C)CCCC1(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634483	0	57	0.0	-84.17	409.74	7.24	-76.93
COCCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634484	0	51	0.0	-76.75	398.67	3.97	-72.78
CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012634485	0	57	0.0	-75.55	433.33	9.93	-65.62
CC1(C)CC(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])C1	REAL300012634486	0	54	0.0	-84.43	403.38	7.32	-77.11
CC1(C(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])CC1	REAL300012634487	0	51	0.0	-79.35	387.28	6.24	-73.11
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634488	0	60	0.0	-80.25	450.35	6.12	-74.13
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634489	0	49	0.0	-91.13	375.26	3.28	-87.85
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCOC1	REAL300012634490	0	52	0.0	-74.63	395.91	3.92	-70.71
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634491	0	52	0.0	-89.43	386.30	7.95	-81.48
O=C([O-])C12COC(CN1C(=O)NCC1CCN(C3=CC=[NH+]C=C3)CC1)C2	REAL300012634492	0	50	0.0	-86.12	379.19	5.61	-80.51
CC1CCC(C(=O)[O-])N(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300012634493	0	54	0.0	-89.43	396.75	8.65	-80.78
CC(C1=CC=CC=C1)C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634494	0	57	0.0	-78.56	440.99	8.33	-70.23
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634495	0	58	0.0	-77.26	433.81	8.75	-68.51
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCC1	REAL300012634496	0	51	0.0	-78.86	385.96	5.78	-73.08
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCCC1	REAL300012634497	0	57	0.0	-79.39	418.90	7.18	-72.21
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCC1	REAL300012634498	0	51	0.0	-78.86	385.96	5.78	-73.08
CC1CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1C(=O)[O-]	REAL300012634499	0	51	0.0	-85.92	380.76	6.96	-78.96
C=CCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634500	0	48	0.0	-76.62	378.31	5.36	-71.26
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634501	0	58	0.0	-80.92	439.19	6.08	-74.84
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634502	0	58	0.0	-62.79	411.95	8.59	-54.20
CC1(C)CC(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])CCO1	REAL300012634503	0	58	0.0	-82.34	415.84	5.91	-76.43
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634504	0	52	0.0	-64.81	387.52	7.84	-56.97
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634505	0	58	0.0	-77.26	433.81	8.75	-68.51
COC1CC(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])C1	REAL300012634506	0	52	0.0	-85.60	400.41	4.58	-81.02
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC(F)(F)C1	REAL300012634507	0	48	0.0	-81.30	375.38	5.64	-75.66
CO[C@H]1C[C@](NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])C1	REAL300012634508	0	52	0.0	-79.43	398.70	4.47	-74.96
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634509	0	54	0.0	-87.19	394.98	8.59	-78.60
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634510	0	47	0.0	-71.90	381.76	5.59	-66.31
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634511	0	55	0.0	-79.51	419.39	4.98	-74.53
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)COC1	REAL300012634512	0	46	0.0	-76.79	357.78	2.65	-74.14
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634513	0	51	0.0	-78.76	416.13	6.97	-71.79
CC(C)C(C)(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634514	0	53	0.0	-79.36	384.89	5.89	-73.47
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634515	0	49	0.0	-89.79	372.19	7.96	-81.83
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634516	0	52	0.0	-86.89	387.84	7.56	-79.33
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634517	0	57	0.0	-80.17	430.08	10.34	-69.83
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634518	0	60	0.0	-78.03	445.93	8.16	-69.87
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634519	0	57	0.0	-78.55	447.23	8.69	-69.86
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634520	0	57	0.0	-78.45	447.23	8.69	-69.76
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC2CCC1C2	REAL300012634521	0	58	0.0	-79.16	426.27	7.56	-71.60
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634522	0	60	0.0	-78.13	445.91	8.17	-69.96
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634523	0	60	0.0	-78.45	446.15	8.11	-70.34
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634524	0	58	0.0	-63.93	427.25	8.73	-55.20
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634525	0	58	0.0	-87.29	422.04	8.57	-78.72
C=CCSCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634526	0	52	0.0	-74.91	422.90	6.80	-68.11
CCC(C(=O)[O-])N(CC)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634527	0	53	0.0	-81.06	392.55	8.33	-72.73
COC1(C(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])CCC1	REAL300012634528	0	55	0.0	-75.11	412.77	4.53	-70.58
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC(C(F)F)C1	REAL300012634529	0	51	0.0	-84.62	399.19	6.41	-78.21
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634531	0	48	0.0	-81.65	371.08	6.88	-74.77
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634532	0	50	0.0	-63.81	380.66	7.62	-56.19
CC1(C)CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1C(=O)[O-]	REAL300012634533	0	54	0.0	-87.06	400.73	7.45	-79.61
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634534	0	58	0.0	-90.27	419.99	9.71	-80.56
CC(C)CCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634535	0	56	0.0	-77.01	425.56	6.97	-70.04
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634536	0	55	0.0	-64.03	411.47	8.29	-55.74
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634537	0	55	0.0	-79.51	419.39	4.98	-74.53
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300012634538	0	52	0.0	-82.39	407.87	7.99	-74.40
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCCC2CC21	REAL300012634539	0	55	0.0	-84.73	401.19	7.75	-76.98
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCC2CC21	REAL300012634540	0	52	0.0	-84.26	388.32	6.84	-77.42
O=C([O-])C1(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC2(CCC2)C1	REAL300012634541	0	55	0.0	-83.04	409.57	7.23	-75.81
CN(C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012634542	0	57	0.0	-75.00	433.33	9.93	-65.07
O=C([O-])C(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCC1	REAL300012634543	0	54	0.0	-78.72	401.99	6.48	-72.24
CO[C@H](C)[C@H](NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634544	0	51	0.0	-78.90	395.83	4.14	-74.76
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634545	0	51	0.0	-86.12	388.83	6.63	-79.49
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634546	0	54	0.0	-65.08	422.76	9.70	-55.38
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300012634547	0	54	0.0	-64.09	404.41	7.60	-56.49
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634548	0	51	0.0	-85.15	386.76	7.90	-77.25
O=C([O-])C1N(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCC1(F)F	REAL300012634549	0	48	0.0	-87.02	376.26	6.94	-80.08
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634550	0	51	0.0	-77.96	415.07	6.84	-71.12
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634551	0	51	0.0	-76.77	393.78	7.47	-69.30
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634552	0	51	0.0	-77.96	415.07	6.84	-71.12
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634553	0	55	0.0	-87.96	403.02	8.18	-79.78
COCCCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634554	0	54	0.0	-77.13	421.00	4.74	-72.39
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012634555	0	53	0.0	-72.96	397.71	7.81	-65.15
CCOCC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634556	0	51	0.0	-79.08	399.05	4.10	-74.98
CC(C)(C)CC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012634557	0	56	0.0	-77.97	416.42	7.35	-70.62
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CN(C(=O)NC1CC[N@H+](C2CCCCC2)C1)C(COC1CCC1)C(=O)[O-]	REAL300012634668	1	59	0.0	-69.39	426.90	9.45	-59.94
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634669	0	59	0.0	-78.23	431.70	12.84	-65.39
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634669	1	59	0.0	-75.83	433.39	12.67	-63.16
O=C([O-])C1(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)CCOCC1	REAL300012634670	0	53	0.0	-73.57	378.59	6.39	-67.18
O=C([O-])C1(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)CCOCC1	REAL300012634670	1	53	0.0	-73.34	379.97	6.50	-66.84
C=CCCC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634671	0	52	0.0	-69.33	392.64	8.16	-61.17
C=CCCC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634671	1	52	0.0	-69.91	392.24	8.06	-61.85
O=C([O-])C(CF)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634672	0	45	0.0	-59.29	340.96	5.81	-53.48
O=C([O-])C(CF)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634672	1	45	0.0	-59.24	339.80	5.69	-53.55
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634673	0	58	0.0	-45.91	426.30	12.60	-33.31
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634673	1	58	0.0	-45.52	426.15	12.56	-32.96
CCC(CC)(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634674	0	54	0.0	-71.24	379.69	8.04	-63.20
CCC(CC)(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634674	1	54	0.0	-71.45	379.99	8.07	-63.38
COC1=CC=C(C(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])C=C1	REAL300012634675	0	56	0.0	-71.60	425.17	8.21	-63.39
COC1=CC=C(C(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])C=C1	REAL300012634675	1	56	0.0	-71.48	424.91	8.27	-63.21
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634676	0	54	0.0	-52.80	389.86	10.10	-42.70
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634676	1	54	0.0	-51.17	390.72	10.08	-41.09
CCC(COC)(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634677	0	55	0.0	-75.14	398.21	7.37	-67.77
CCC(COC)(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634677	1	55	0.0	-75.71	398.08	7.35	-68.36
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634678	0	58	0.0	-68.83	421.83	8.88	-59.95
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634678	1	58	0.0	-68.89	421.69	8.85	-60.04
O=C([O-])C1(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)CCS(=O)(=O)CC1	REAL300012634679	0	55	0.0	-76.06	403.70	4.90	-71.16
O=C([O-])C1(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)CCS(=O)(=O)CC1	REAL300012634679	1	55	0.0	-75.26	405.29	5.01	-70.25
O=C([O-])C(CC1CC1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634680	0	52	0.0	-69.72	391.04	8.32	-61.40
O=C([O-])C(CC1CC1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634680	1	52	0.0	-69.72	389.78	8.23	-61.49
COCCC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634681	0	52	0.0	-70.10	391.99	5.89	-64.21
COCCC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634681	1	52	0.0	-70.95	391.85	5.73	-65.22
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634682	0	57	0.0	-68.57	409.34	10.23	-58.34
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634682	1	57	0.0	-69.11	409.75	10.34	-58.77
O=C([O-])C(CC(F)F)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634683	0	48	0.0	-69.56	370.66	7.12	-62.44
O=C([O-])C(CC(F)F)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634683	1	48	0.0	-70.36	370.52	6.95	-63.41
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634684	0	58	0.0	-79.65	412.41	11.28	-68.37
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634684	1	58	0.0	-76.43	411.40	10.96	-65.47
CCCN(C(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(C)C(=O)[O-]	REAL300012634685	0	54	0.0	-46.45	389.38	10.17	-36.28
CCCN(C(=O)NC1CC[N@H+](C2CCCCC2)C1)C(C)C(=O)[O-]	REAL300012634685	1	54	0.0	-68.37	388.64	9.34	-59.03
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634686	0	58	0.0	-46.11	425.56	12.63	-33.48
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634686	1	58	0.0	-73.51	424.88	12.33	-61.18
CCC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012634687	0	58	0.0	-72.11	420.03	10.52	-61.59
CCC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012634687	1	58	0.0	-72.94	419.97	10.53	-62.41
COC1CCCC(C(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])C1	REAL300012634688	0	62	0.0	-73.35	448.21	8.41	-64.94
COC1CCCC(C(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])C1	REAL300012634688	1	62	0.0	-73.72	448.07	8.40	-65.32
O=C([O-])C(CCF)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634689	0	48	0.0	-69.54	365.75	6.95	-62.59
O=C([O-])C(CCF)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634689	1	48	0.0	-69.66	364.76	6.81	-62.85
COC1(CC(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])CCC1	REAL300012634690	0	59	0.0	-70.55	428.21	8.30	-62.25
COC1(CC(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])CCC1	REAL300012634690	1	59	0.0	-71.89	428.28	8.21	-63.68
O=C([O-])CN(C(=O)NC1CC[N@@H+](C2CCCCC2)C1)C1CCOCC1	REAL300012634691	0	56	0.0	-54.52	402.21	8.54	-45.98
O=C([O-])CN(C(=O)NC1CC[N@H+](C2CCCCC2)C1)C1CCOCC1	REAL300012634691	1	56	0.0	-53.37	402.23	8.53	-44.84
O=C([O-])CN(C(=O)NC1CC[N@@H+](C2CCCCC2)C1)C1CCCCC1	REAL300012634692	0	58	0.0	-54.40	411.16	10.91	-43.49
O=C([O-])CN(C(=O)NC1CC[N@H+](C2CCCCC2)C1)C1CCCCC1	REAL300012634692	1	58	0.0	-54.79	410.69	10.88	-43.91
C[C@H]1CC[C@@](NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)(C(=O)[O-])CC1	REAL300012634693	0	58	0.0	-73.46	402.82	9.33	-64.13
C[C@H]1CC[C@@](NC(=O)NC2CC[N@H+](C3CCCCC3)C2)(C(=O)[O-])CC1	REAL300012634693	1	58	0.0	-74.07	402.34	9.38	-64.69
COC1=CC=CC(C(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])=C1	REAL300012634694	0	56	0.0	-73.40	424.59	8.26	-65.14
COC1=CC=CC(C(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])=C1	REAL300012634694	1	56	0.0	-74.16	425.14	8.17	-65.99
CC(CCF)(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634695	0	51	0.0	-67.32	370.22	7.33	-59.99
CC(CCF)(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634695	1	51	0.0	-66.62	368.90	7.17	-59.45
O=C([O-])C1C2=C(CCN1C(=O)NC1CC[N@@H+](C3CCCCC3)C1)OC=C2	REAL300012634696	0	53	0.0	-60.04	391.92	9.32	-50.72
O=C([O-])C1C2=C(CCN1C(=O)NC1CC[N@H+](C3CCCCC3)C1)OC=C2	REAL300012634696	1	53	0.0	-60.76	391.04	9.23	-51.53
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634697	0	49	0.0	-72.14	373.47	8.50	-63.64
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634697	1	49	0.0	-72.23	372.97	8.45	-63.78
COC1=CC=CC([C@H](NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])=C1	REAL300012634698	0	56	0.0	-74.39	424.55	8.15	-66.24
COC1=CC=CC([C@H](NC(=O)NC2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])=C1	REAL300012634698	1	56	0.0	-73.11	423.75	8.05	-65.06
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[N@@H+](C3CCCCC3)C2)C1	REAL300012634699	0	58	0.0	-77.89	423.21	10.33	-67.56
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[N@H+](C3CCCCC3)C2)C1	REAL300012634699	1	58	0.0	-79.10	423.98	10.61	-68.49
COC1=CC=CC(CC(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])=C1	REAL300012634700	0	59	0.0	-70.61	447.09	9.13	-61.48
COC1=CC=CC(CC(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])=C1	REAL300012634700	1	59	0.0	-74.99	446.07	9.12	-65.87
CC1(C)CCCC(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300012634701	0	61	0.0	-75.12	416.32	9.87	-65.25
CC1(C)CCCC(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300012634701	1	61	0.0	-73.60	415.52	9.77	-63.83
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634702	0	50	0.0	-82.20	365.94	9.29	-72.91
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634702	1	50	0.0	-81.59	365.41	9.31	-72.28
COC1CN(C(=O)NC2CC[N@@H+](C3CCCCC3)C2)C(C)(C(=O)[O-])C1	REAL300012634703	0	56	0.0	-76.71	408.02	8.21	-68.50
COC1CN(C(=O)NC2CC[N@H+](C3CCCCC3)C2)C(C)(C(=O)[O-])C1	REAL300012634703	1	56	0.0	-73.61	408.09	8.30	-65.31
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634704	0	59	0.0	-69.48	426.38	8.33	-61.15
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634704	1	59	0.0	-70.02	426.24	8.32	-61.70
CC(C)(C)[C@H](NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634705	0	54	0.0	-72.28	389.66	7.90	-64.38
CC(C)(C)[C@H](NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634705	1	54	0.0	-70.24	388.65	7.94	-62.30
C=C(Cl)CC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634706	0	49	0.0	-70.62	388.18	7.94	-62.68
C=C(Cl)CC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634706	1	49	0.0	-70.55	387.44	7.73	-62.82
C=C(C)CC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634707	0	52	0.0	-70.32	393.01	8.01	-62.31
C=C(C)CC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634707	1	52	0.0	-70.65	391.08	8.04	-62.61
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634708	0	53	0.0	-81.44	377.76	10.16	-71.28
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634708	1	53	0.0	-80.69	377.01	10.03	-70.66
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634709	0	58	0.0	-69.86	427.45	10.09	-59.77
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634709	1	58	0.0	-69.84	427.00	10.06	-59.78
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634710	0	49	0.0	-71.26	371.52	8.46	-62.80
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634710	1	49	0.0	-71.30	372.13	8.47	-62.83
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634711	0	49	0.0	-75.50	366.59	8.38	-67.12
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634711	1	49	0.0	-75.11	365.15	8.38	-66.73
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](C3CCCCC3)C2)C1	REAL300012634712	0	50	0.0	-77.09	371.83	8.77	-68.32
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](C3CCCCC3)C2)C1	REAL300012634712	1	50	0.0	-75.13	371.02	8.65	-66.48
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634713	0	59	0.0	-71.41	429.76	7.64	-63.77
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634713	1	59	0.0	-71.57	426.24	8.27	-63.30
CC(C)C[C@H](NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634714	0	54	0.0	-70.58	396.75	8.10	-62.48
CC(C)C[C@H](NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634714	1	54	0.0	-69.93	396.75	8.02	-61.91
O=C([O-])C(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C1CCOCC1	REAL300012634715	0	56	0.0	-71.48	409.16	6.86	-64.62
O=C([O-])C(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C1CCOCC1	REAL300012634715	1	56	0.0	-69.07	405.26	6.67	-62.40
O=C([O-])C(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C1=CC=CC=C1	REAL300012634716	0	52	0.0	-71.34	394.55	8.89	-62.45
O=C([O-])C(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C1=CC=CC=C1	REAL300012634716	1	52	0.0	-70.22	393.70	8.77	-61.45
O=C([O-])C(CC1CC1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634717	0	52	0.0	-69.72	391.04	8.32	-61.40
O=C([O-])C(CC1CC1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634717	1	52	0.0	-69.72	389.78	8.23	-61.49
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634718	0	51	0.0	-68.86	404.13	7.01	-61.85
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634718	1	51	0.0	-69.33	403.99	6.98	-62.35
CC(C)CCCC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634719	0	60	0.0	-70.34	441.22	9.66	-60.68
CC(C)CCCC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634719	1	60	0.0	-70.51	440.84	9.70	-60.81
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634720	0	58	0.0	-69.11	447.55	10.31	-58.80
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634720	1	58	0.0	-70.26	447.78	10.23	-60.03
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634721	0	56	0.0	-69.55	413.65	7.62	-61.93
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634721	1	56	0.0	-75.20	415.68	7.15	-68.05
CSCC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634722	0	49	0.0	-67.74	382.85	7.16	-60.58
CSCC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634722	1	49	0.0	-67.92	381.87	7.01	-60.91
COC[C@H](NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634723	0	49	0.0	-71.43	370.22	5.02	-66.41
COC[C@H](NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634723	1	49	0.0	-71.95	371.33	5.05	-66.90
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634724	0	55	0.0	-70.72	423.68	9.88	-60.84
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634724	1	55	0.0	-69.57	422.63	9.83	-59.74
CCC(C)CC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634725	0	57	0.0	-70.71	416.09	8.77	-61.94
CCC(C)CC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634725	1	57	0.0	-71.29	415.96	8.75	-62.54
C=CCCCC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634726	0	55	0.0	-69.90	414.96	8.92	-60.98
C=CCCCC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634726	1	55	0.0	-70.58	414.59	8.97	-61.61
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634727	0	55	0.0	-69.89	422.85	9.88	-60.01
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634727	1	55	0.0	-69.28	422.88	9.77	-59.51
O=C([O-])C(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C1=CC=CC2=CC=CC=C21	REAL300012634728	0	58	0.0	-74.52	435.39	11.09	-63.43
O=C([O-])C(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C1=CC=CC2=CC=CC=C21	REAL300012634728	1	58	0.0	-75.76	436.11	11.03	-64.73
O=C([O-])C1CSCCN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634729	0	50	0.0	-75.82	367.80	9.59	-66.23
O=C([O-])C1CSCCN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634729	1	50	0.0	-77.89	369.31	9.89	-68.00
CC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012634730	0	55	0.0	-72.15	403.45	9.68	-62.47
CC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012634730	1	55	0.0	-70.72	402.13	9.52	-61.20
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634731	0	49	0.0	-78.02	359.86	8.30	-69.72
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634731	1	49	0.0	-77.41	359.06	8.18	-69.23
CCCC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634732	0	51	0.0	-69.78	380.41	7.65	-62.13
CCCC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634732	1	51	0.0	-70.59	379.67	7.43	-63.16
CC(C)[C@@H](NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634733	0	51	0.0	-70.14	370.33	7.20	-62.94
CC(C)[C@@H](NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634733	1	51	0.0	-70.89	375.14	7.26	-63.63
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634734	0	53	0.0	-82.97	379.34	10.24	-72.73
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634734	1	53	0.0	-80.65	378.41	10.09	-70.56
CCN(C(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012634735	0	54	0.0	-73.07	383.53	9.51	-63.56
CCN(C(=O)NC1CC[N@H+](C2CCCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012634735	1	54	0.0	-73.77	384.21	9.58	-64.19
CCCN(C(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(C)C(=O)[O-]	REAL300012634736	0	54	0.0	-46.45	389.38	10.17	-36.28
CCCN(C(=O)NC1CC[N@H+](C2CCCCC2)C1)C(C)C(=O)[O-]	REAL300012634736	1	54	0.0	-68.37	388.64	9.34	-59.03
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634737	0	48	0.0	-65.80	371.71	9.12	-56.68
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634737	1	48	0.0	-66.45	372.01	9.12	-57.33
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634738	0	48	0.0	-65.80	371.71	9.12	-56.68
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634738	1	48	0.0	-66.45	372.01	9.12	-57.33
CN(C(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012634739	0	51	0.0	-72.15	364.67	8.66	-63.49
CN(C(=O)NC1CC[N@H+](C2CCCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012634739	1	51	0.0	-73.90	364.09	8.69	-65.21
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634740	0	49	0.0	-77.42	358.58	8.29	-69.13
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634740	1	49	0.0	-75.88	359.20	8.24	-67.64
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634741	0	61	0.0	-56.31	445.43	7.12	-49.19
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634741	1	61	0.0	-56.36	444.44	6.95	-49.41
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634742	0	50	0.0	-78.02	370.30	4.96	-73.06
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634742	1	50	0.0	-79.53	369.66	5.01	-74.52
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300012634743	1	65	0.0	-56.02	470.63	6.99	-49.03
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC[N@H+](C3CCCCC3)C2)CC1	REAL300012634743	1	65	0.0	-56.03	469.64	6.82	-49.21
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634744	0	56	0.0	-51.56	413.82	11.66	-39.90
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634744	1	56	0.0	-49.53	411.92	11.73	-37.80
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC[N@@H+](C3CCCCC3)C2)[C@H]1C(=O)[O-]	REAL300012634745	0	59	0.0	-59.44	422.22	11.97	-47.47
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC[N@H+](C3CCCCC3)C2)[C@H]1C(=O)[O-]	REAL300012634745	1	59	0.0	-58.70	422.03	11.83	-46.87
CCC[C@@H](NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634746	0	51	0.0	-70.74	380.39	7.56	-63.18
CCC[C@@H](NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634746	1	51	0.0	-70.13	379.35	7.52	-62.61
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634747	0	57	0.0	-69.48	414.57	9.99	-59.49
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634747	1	57	0.0	-70.90	413.73	9.87	-61.03
O=C([O-])[C@H](NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C1=CC=CC=C1	REAL300012634748	0	52	0.0	-71.83	395.04	8.87	-62.96
O=C([O-])[C@H](NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C1=CC=CC=C1	REAL300012634748	1	52	0.0	-71.11	394.03	8.84	-62.27
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634749	0	57	0.0	-72.68	435.45	8.84	-63.84
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634749	1	57	0.0	-72.25	434.22	8.75	-63.50
C=CCCC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634750	0	52	0.0	-69.33	392.64	8.16	-61.17
C=CCCC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634750	1	52	0.0	-69.91	392.24	8.06	-61.85
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634751	0	51	0.0	-67.28	404.13	6.88	-60.40
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634751	1	51	0.0	-74.51	404.47	6.83	-67.68
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634752	0	52	0.0	-67.26	423.11	8.68	-58.58
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634752	1	52	0.0	-66.50	422.57	8.51	-57.99
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634753	0	52	0.0	-88.28	388.13	6.22	-82.06
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634753	1	52	0.0	-88.22	388.24	6.24	-81.98
CN1CC(C(=O)[O-])N(C(=O)NC2CC[N@@H+](C3CCCCC3)C2)CC1=O	REAL300012634754	0	53	0.0	-71.57	385.49	7.96	-63.61
CN1CC(C(=O)[O-])N(C(=O)NC2CC[N@H+](C3CCCCC3)C2)CC1=O	REAL300012634754	1	53	0.0	-70.05	384.58	7.84	-62.21
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634755	0	52	0.0	-75.63	375.07	9.27	-66.36
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634755	1	52	0.0	-76.56	374.91	9.26	-67.30
CC(C)[C@H](NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634756	0	51	0.0	-69.13	373.02	7.34	-61.79
CC(C)[C@H](NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634756	1	51	0.0	-70.02	370.78	7.01	-63.01
O=C([O-])[C@@H](NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C1=CC=CC=C1	REAL300012634757	0	52	0.0	-72.02	395.02	8.86	-63.16
O=C([O-])[C@@H](NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C1=CC=CC=C1	REAL300012634757	1	52	0.0	-71.74	395.60	8.89	-62.85
CC(CN1C=CC=N1)(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634758	0	55	0.0	-73.37	405.03	8.24	-65.13
CC(CN1C=CC=N1)(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634758	1	55	0.0	-69.28	408.14	8.11	-61.17
CCC[C@H](NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634759	0	51	0.0	-71.02	380.39	7.55	-63.47
CCC[C@H](NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634759	1	51	0.0	-68.85	378.75	7.46	-61.39
CCN(C(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(C)C(=O)[O-]	REAL300012634760	0	51	0.0	-67.88	366.59	8.63	-59.25
CCN(C(=O)NC1CC[N@H+](C2CCCCC2)C1)C(C)C(=O)[O-]	REAL300012634760	1	51	0.0	-68.00	367.17	8.65	-59.35
O=C([O-])CN(C(=O)NC1CC[N@@H+](C2CCCCC2)C1)C1CCCC1	REAL300012634761	0	55	0.0	-53.90	393.76	10.21	-43.69
O=C([O-])CN(C(=O)NC1CC[N@H+](C2CCCCC2)C1)C1CCCC1	REAL300012634761	1	55	0.0	-54.53	392.46	10.04	-44.49
CC(CN(C)C(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634762	0	51	0.0	-73.12	368.89	8.16	-64.96
CC(CN(C)C(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634762	1	51	0.0	-76.29	370.44	8.53	-67.76
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634763	0	54	0.0	-69.77	389.11	7.69	-62.08
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634763	1	54	0.0	-71.55	390.71	7.77	-63.78
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634764	0	51	0.0	-68.15	370.02	8.73	-59.42
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634764	1	51	0.0	-67.72	368.52	8.67	-59.05
O=C([O-])C1(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)CC(CO)C1	REAL300012634765	0	53	0.0	-80.22	390.40	4.68	-75.54
O=C([O-])C1(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)CC(CO)C1	REAL300012634765	1	53	0.0	-74.10	391.18	4.68	-69.42
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634766	0	61	0.0	-71.60	438.63	8.02	-63.58
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634766	1	61	0.0	-70.22	438.53	7.86	-62.36
CC1CCC(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300012634767	0	55	0.0	-74.13	393.85	8.33	-65.80
CC1CCC(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300012634767	1	55	0.0	-72.75	394.25	8.41	-64.34
CC1(C)CCCC1(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634768	0	58	0.0	-73.90	405.04	9.29	-64.61
CC1(C)CCCC1(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634768	1	58	0.0	-73.81	404.62	9.24	-64.57
COCCC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634769	0	52	0.0	-70.10	391.99	5.89	-64.21
COCCC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634769	1	52	0.0	-70.95	391.85	5.73	-65.22
CN(C(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012634770	0	58	0.0	-70.89	428.19	11.89	-59.00
CN(C(=O)NC1CC[N@H+](C2CCCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012634770	1	58	0.0	-70.86	427.96	11.92	-58.94
CC1(C)CC(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300012634771	0	55	0.0	-75.66	396.27	9.17	-66.49
CC1(C)CC(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300012634771	1	55	0.0	-74.80	395.24	9.08	-65.72
CC1CCC(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012634772	0	62	0.0	-74.08	444.12	11.20	-62.88
CC1CCC(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012634772	1	62	0.0	-73.75	444.30	11.20	-62.55
CC1(C(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])CC1	REAL300012634773	0	52	0.0	-72.21	385.16	7.77	-64.44
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O=C([O-])C1(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)CCC2=CC=CC=C2C1	REAL300012634825	0	59	0.0	-73.04	427.02	10.88	-62.16
O=C([O-])C1(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)CCC2=CC=CC=C2C1	REAL300012634825	1	59	0.0	-74.40	426.89	10.95	-63.45
O=C([O-])C1(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)CC(C(F)F)C1	REAL300012634826	0	52	0.0	-70.50	389.99	8.24	-62.26
O=C([O-])C1(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)CC(C(F)F)C1	REAL300012634826	1	52	0.0	-77.11	390.76	8.23	-68.88
CC(C)C1=CC=C(C(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])C=C1	REAL300012634828	0	61	0.0	-70.78	455.66	10.92	-59.86
CC(C)C1=CC=C(C(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])C=C1	REAL300012634828	1	61	0.0	-70.55	455.24	10.85	-59.70
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634829	0	49	0.0	-75.50	366.59	8.38	-67.12
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634829	1	49	0.0	-75.11	365.15	8.38	-66.73
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634830	0	51	0.0	-50.72	373.36	9.55	-41.17
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634830	1	51	0.0	-50.60	374.34	9.48	-41.12
CC1(C)CCN(C(=O)NC2CC[N@@H+](C3CCCCC3)C2)C1C(=O)[O-]	REAL300012634831	0	55	0.0	-79.75	395.26	9.24	-70.51
CC1(C)CCN(C(=O)NC2CC[N@H+](C3CCCCC3)C2)C1C(=O)[O-]	REAL300012634831	1	55	0.0	-77.69	392.98	9.25	-68.44
CCOC1=CC=C(C(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])C=C1	REAL300012634832	0	59	0.0	-71.43	447.02	9.13	-62.30
CCOC1=CC=C(C(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])C=C1	REAL300012634832	1	59	0.0	-70.78	446.36	9.15	-61.63
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634833	0	59	0.0	-76.74	413.19	11.23	-65.51
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634833	1	59	0.0	-80.52	414.90	11.67	-68.85
O=C([O-])C(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C1CCC2=CC=CC=C21	REAL300012634834	0	59	0.0	-74.71	436.11	10.82	-63.89
O=C([O-])C(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C1CCC2=CC=CC=C21	REAL300012634834	1	59	0.0	-71.71	429.02	10.31	-61.40
CC(COC1=CC=CC=C1)(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634835	0	59	0.0	-76.60	438.08	9.94	-66.66
CC(COC1=CC=CC=C1)(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634835	1	59	0.0	-75.66	436.76	9.77	-65.89
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634836	0	55	0.0	-67.37	425.29	10.13	-57.24
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634836	1	55	0.0	-66.21	424.48	10.02	-56.19
CC(C)CCC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634837	0	57	0.0	-69.74	418.88	8.89	-60.85
CC(C)CCC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634837	1	57	0.0	-71.13	419.60	8.87	-62.26
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634838	0	56	0.0	-50.58	403.34	10.07	-40.51
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634838	1	56	0.0	-49.85	404.62	10.17	-39.68
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634839	0	56	0.0	-68.66	409.37	7.51	-61.15
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634839	1	56	0.0	-68.59	408.05	7.34	-61.25
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](C3CCCCC3)C2)C1	REAL300012634840	0	53	0.0	-75.63	401.82	9.67	-65.96
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](C3CCCCC3)C2)C1	REAL300012634840	1	53	0.0	-73.45	401.11	9.58	-63.87
O=C([O-])C1(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)CCCC2CC21	REAL300012634841	0	56	0.0	-75.42	394.49	9.65	-65.77
O=C([O-])C1(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)CCCC2CC21	REAL300012634841	1	56	0.0	-76.70	394.80	9.67	-67.03
O=C([O-])C1(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)CCC2CC21	REAL300012634842	0	53	0.0	-75.90	381.83	8.82	-67.08
O=C([O-])C1(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)CCC2CC21	REAL300012634842	1	53	0.0	-73.70	382.86	8.48	-65.22
O=C([O-])C1(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)CC2(CCC2)C1	REAL300012634843	0	56	0.0	-73.47	402.75	9.11	-64.36
O=C([O-])C1(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)CC2(CCC2)C1	REAL300012634843	1	56	0.0	-72.76	401.93	8.99	-63.77
CN(C(=O)NC1CC[N@@H+](C2CCCCC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012634844	0	58	0.0	-69.80	426.60	11.68	-58.12
CN(C(=O)NC1CC[N@H+](C2CCCCC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012634844	1	58	0.0	-70.82	427.11	11.75	-59.07
O=C([O-])C1CC2(CN1C(=O)NC1CC[N@@H+](C3CCCCC3)C1)CCCCC2	REAL300012634845	0	62	0.0	-52.80	433.72	11.02	-41.78
O=C([O-])C1CC2(CN1C(=O)NC1CC[N@H+](C3CCCCC3)C1)CCCCC2	REAL300012634845	1	62	0.0	-49.94	433.86	11.11	-38.83
O=C([O-])C(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C1CCCC1	REAL300012634846	0	55	0.0	-70.65	398.71	8.46	-62.19
O=C([O-])C(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C1CCCC1	REAL300012634846	1	55	0.0	-72.25	395.31	8.31	-63.94
CO[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634847	0	52	0.0	-71.90	388.85	6.04	-65.86
CO[C@H](C)[C@H](NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634847	1	52	0.0	-70.12	387.61	5.93	-64.19
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634848	0	52	0.0	-76.87	381.88	8.51	-68.36
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634848	1	52	0.0	-75.42	378.15	8.33	-67.09
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634849	0	55	0.0	-54.77	416.42	11.64	-43.13
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634849	1	55	0.0	-55.52	415.09	11.47	-44.05
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[N@@H+](C3CCCCC3)C2)C1	REAL300012634850	0	55	0.0	-50.50	398.42	9.44	-41.06
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[N@H+](C3CCCCC3)C2)C1	REAL300012634850	1	55	0.0	-51.14	398.33	9.44	-41.70
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634851	0	52	0.0	-79.14	380.39	10.05	-69.09
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634851	1	52	0.0	-77.88	379.93	9.83	-68.05
O=C([O-])C1N(C(=O)NC2CC[N@@H+](C3CCCCC3)C2)CCC1(F)F	REAL300012634852	0	49	0.0	-81.93	371.61	8.43	-73.50
O=C([O-])C1N(C(=O)NC2CC[N@H+](C3CCCCC3)C2)CCC1(F)F	REAL300012634852	1	49	0.0	-79.35	369.50	8.32	-71.03
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634853	0	55	0.0	-67.49	423.76	9.96	-57.53
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634853	1	55	0.0	-73.44	422.98	9.89	-63.55
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634854	0	52	0.0	-71.89	408.74	8.76	-63.13
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634854	1	52	0.0	-69.89	407.91	8.78	-61.11
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634855	0	52	0.0	-74.65	387.54	9.51	-65.14
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634855	1	52	0.0	-70.24	387.08	9.37	-60.87
O=C([O-])C1(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)CC2(CC(F)(F)C2)C1	REAL300012634856	0	56	0.0	-73.69	422.71	9.48	-64.21
O=C([O-])C1(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)CC2(CC(F)(F)C2)C1	REAL300012634856	1	56	0.0	-74.06	421.12	9.43	-64.63
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634857	0	52	0.0	-71.89	408.74	8.76	-63.13
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634857	1	52	0.0	-69.89	407.91	8.78	-61.11
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634858	0	56	0.0	-79.77	396.22	10.05	-69.72
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634858	1	56	0.0	-79.70	395.35	9.84	-69.86
COCCCC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634859	0	55	0.0	-69.75	414.33	6.65	-63.10
COCCCC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634859	1	55	0.0	-70.34	414.19	6.63	-63.71
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634860	0	54	0.0	-67.93	391.07	9.68	-58.25
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634860	1	54	0.0	-67.98	391.49	9.59	-58.39
CCOCC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634861	0	52	0.0	-71.94	392.87	6.04	-65.90
CCOCC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634861	1	52	0.0	-72.32	392.75	6.02	-66.30
CC(C)(C)CC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634862	0	57	0.0	-71.82	409.87	9.19	-62.63
CC(C)(C)CC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634862	1	57	0.0	-71.72	409.85	9.18	-62.54
O=C([O-])C(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C1CCCCO1	REAL300012634863	0	56	0.0	-74.22	409.37	6.94	-67.28
O=C([O-])C(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C1CCCCO1	REAL300012634863	1	56	0.0	-73.81	408.58	6.84	-66.97
O=C([O-])C1(NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)CC2=CC=CC=C2C1	REAL300012634864	0	56	0.0	-73.60	414.65	10.10	-63.50
O=C([O-])C1(NC(=O)NC2CC[N@H+](C3CCCCC3)C2)CC2=CC=CC=C2C1	REAL300012634864	1	56	0.0	-74.16	413.16	10.06	-64.10
C[C@H]1OCCN(C(=O)NC2CC[N@@H+](C3CCCCC3)C2)[C@@H]1C(=O)[O-]	REAL300012634865	0	53	0.0	-78.83	380.72	8.23	-70.60
C[C@H]1OCCN(C(=O)NC2CC[N@H+](C3CCCCC3)C2)[C@@H]1C(=O)[O-]	REAL300012634865	1	53	0.0	-77.51	379.53	8.15	-69.36
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634866	0	55	0.0	-73.29	400.30	9.70	-63.59
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634866	1	55	0.0	-72.98	399.06	9.53	-63.45
N#CCCC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634867	0	49	0.0	-71.65	379.17	7.33	-64.32
N#CCCC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300012634867	1	49	0.0	-72.09	378.78	7.23	-64.86
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634868	0	58	0.0	-72.01	442.11	10.20	-61.81
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634868	1	58	0.0	-75.56	447.36	10.06	-65.50
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634869	0	52	0.0	-55.65	397.76	9.76	-45.89
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634869	1	52	0.0	-55.82	397.62	9.74	-46.08
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634870	0	63	0.0	-79.85	430.22	10.40	-69.45
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634870	1	63	0.0	-76.06	427.98	10.19	-65.87
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300012634871	0	54	0.0	-66.53	429.10	8.52	-58.01
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300012634871	1	54	0.0	-66.70	428.36	8.44	-58.26
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](C3CCCCC3)C2)C1	REAL300012634872	0	56	0.0	-76.41	413.04	8.67	-67.74
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](C3CCCCC3)C2)C1	REAL300012634872	1	56	0.0	-77.39	413.65	8.36	-69.03
CC(C)C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635173	0	53	0.0	-75.48	403.76	8.04	-67.44
C=CCOCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635174	0	52	0.0	-76.80	411.43	6.45	-70.35
C=CC(C)C(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635175	0	51	0.0	-75.95	390.10	7.59	-68.36
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1CCOCC1	REAL300012635176	0	55	0.0	-78.34	409.23	6.53	-71.81
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1=CC=C(F)C(F)=C1	REAL300012635177	0	51	0.0	-70.81	413.54	8.89	-61.92
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1=CC=C(Cl)C(F)=C1	REAL300012635178	0	51	0.0	-70.86	423.43	9.34	-61.52
COC1CCN(C(=O)NCCCCC[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012635179	0	55	0.0	-86.06	407.37	8.63	-77.43
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1CCCOC1	REAL300012635180	0	55	0.0	-73.99	409.19	6.57	-67.42
CC1CCN(C(=O)NCCCCC[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012635181	0	54	0.0	-86.54	396.30	10.49	-76.05
CC1=CC(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])=CC=C1F	REAL300012635182	0	54	0.0	-73.39	427.58	9.47	-63.92
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1=CC=C2OCCC2=C1	REAL300012635183	0	56	0.0	-77.32	437.37	8.59	-68.73
CC1=CC(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])=CC(C)=C1	REAL300012635184	0	57	0.0	-78.36	444.30	10.06	-68.30
CC1=CC=C(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])C=C1C	REAL300012635185	0	57	0.0	-78.02	439.25	9.98	-68.04
COC1=CC=C(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])C=C1Cl	REAL300012635186	0	55	0.0	-74.37	446.36	8.63	-65.74
CC1=CC=CC(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])=C1C	REAL300012635187	0	57	0.0	-76.97	430.50	9.76	-67.21
COC1=CC=C(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])C=C1F	REAL300012635188	0	55	0.0	-75.23	437.15	8.12	-67.11
CC(C(=O)[O-])N(C(=O)NCCCCC[NH+]1CCCC1)C1CCC1	REAL300012635189	0	54	0.0	-63.01	397.49	9.58	-53.43
CCCN(C(=O)NCCCCC[NH+]1CCCC1)C(COC)C(=O)[O-]	REAL300012635190	0	57	0.0	-79.70	426.70	10.23	-69.47
CCCN(C(=O)NCCCCC[NH+]1CCCC1)C(CC)C(=O)[O-]	REAL300012635191	0	56	0.0	-60.51	409.54	10.91	-49.60
O=C([O-])C1CCCCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635192	0	51	0.0	-86.35	375.38	9.86	-76.49
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1=CC=C(Cl)C=C1	REAL300012635193	0	51	0.0	-73.59	418.16	9.27	-64.32
O=C([O-])C1CSCCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635194	0	49	0.0	-82.79	375.21	9.71	-73.08
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CCCCC1	REAL300012635195	0	54	0.0	-79.75	394.81	8.89	-70.86
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CCCC1	REAL300012635196	0	51	0.0	-79.80	380.30	7.78	-72.02
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CCCCCC1	REAL300012635197	0	57	0.0	-80.32	400.47	9.55	-70.77
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635198	0	54	0.0	-77.22	423.73	9.68	-67.54
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635199	0	54	0.0	-63.82	422.22	11.49	-52.33
O=C([O-])[C@H](NC(=O)NCCCCC[NH+]1CCCC1)C1=CC=CC=C1	REAL300012635200	0	51	0.0	-77.06	401.23	8.83	-68.23
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1=CC=CC=C1	REAL300012635201	0	51	0.0	-76.94	400.83	8.77	-68.17
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635202	0	54	0.0	-77.22	423.73	9.68	-67.54
CCC(C)C(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635203	0	53	0.0	-76.56	396.54	7.63	-68.93
O=C([O-])C1CCCCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635204	0	51	0.0	-86.35	375.38	9.86	-76.49
CCCC(C)(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635205	0	53	0.0	-76.20	390.94	7.79	-68.41
CC(C)CN(CC(=O)[O-])C(=O)NCCCCC[NH+]1CCCC1	REAL300012635206	0	53	0.0	-63.35	399.39	9.76	-53.59
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635207	0	55	0.0	-85.81	413.00	11.73	-74.08
CC(NC(=O)NCCCCC[NH+]1CCCC1)(C(=O)[O-])C1CC1	REAL300012635208	0	51	0.0	-77.67	378.93	7.79	-69.88
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1=CC=CS1	REAL300012635209	0	48	0.0	-75.52	393.10	7.83	-67.69
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CCCCC1	REAL300012635210	0	54	0.0	-79.75	394.81	8.89	-70.86
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635211	0	54	0.0	-61.11	438.96	12.01	-49.10
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635212	0	58	0.0	-78.87	452.74	9.77	-69.10
CC[C@H](C)[C@H](NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635213	0	53	0.0	-76.56	396.54	7.63	-68.93
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CCCC1	REAL300012635214	0	51	0.0	-79.80	380.30	7.78	-72.02
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635215	0	54	0.0	-61.27	428.63	11.55	-49.72
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CC2=CC=CC=C2C1	REAL300012635216	0	55	0.0	-79.44	419.41	9.92	-69.52
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1=CC(F)=CC=C1F	REAL300012635217	0	51	0.0	-77.30	412.30	8.91	-68.39
CC(NC(=O)NCCCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012635218	0	54	0.0	-78.29	409.25	9.52	-68.77
CCCCCCC(C)(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635219	0	62	0.0	-76.44	455.43	10.13	-66.31
CN(C(=O)NCCCCC[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012635220	0	57	0.0	-73.82	432.29	11.61	-62.21
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1=CC=C(Cl)C=C1	REAL300012635221	0	51	0.0	-73.59	418.16	9.27	-64.32
O=C([O-])C1COCCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635222	0	49	0.0	-82.41	366.55	7.18	-75.23
CN(C(=O)NCCCCC[NH+]1CCCC1)C1(C(=O)[O-])CCCCC1	REAL300012635223	0	57	0.0	-81.22	404.07	10.20	-71.02
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635224	0	57	0.0	-64.39	444.63	12.27	-52.12
CN(C(=O)NCCCCC[NH+]1CCCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012635225	0	54	0.0	-77.23	411.21	11.00	-66.23
COCCN(CC(=O)[O-])C(=O)NCCCCC[NH+]1CCCC1	REAL300012635226	0	51	0.0	-64.04	394.60	7.66	-56.38
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CCC2=CC=CC=C21	REAL300012635227	0	55	0.0	-82.94	416.15	9.81	-73.13
O=C([O-])[C@H]1CCCCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635228	0	51	0.0	-85.20	373.90	9.53	-75.67
CC1(C(=O)[O-])CCCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635229	0	51	0.0	-81.92	381.13	9.14	-72.78
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635230	0	58	0.0	-83.51	457.38	9.69	-73.82
O=C([O-])C1CCCCCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635231	0	54	0.0	-85.14	388.21	10.22	-74.92
CCCCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635232	0	53	0.0	-74.79	407.46	8.24	-66.55
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635233	0	57	0.0	-64.39	444.63	12.27	-52.12
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635234	0	51	0.0	-81.90	381.20	9.12	-72.78
O=C([O-])CN(C(=O)NCCCCC[NH+]1CCCC1)C1CCCC1	REAL300012635235	0	54	0.0	-62.69	399.58	10.05	-52.64
COCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635236	0	48	0.0	-77.04	377.16	4.92	-72.12
CCCCCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635237	0	56	0.0	-75.28	429.79	9.01	-66.27
CCC1CCC(NC(=O)NCCCCC[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012635238	0	60	0.0	-79.58	433.88	10.14	-69.44
O=C([O-])CN(C(=O)NCCCCC[NH+]1CCCC1)C1CCOCC1	REAL300012635239	0	55	0.0	-63.24	408.01	8.38	-54.86
CN(C(=O)NCCCCC[NH+]1CCCC1)C1(C(=O)[O-])CCCC1	REAL300012635240	0	54	0.0	-82.45	390.75	9.48	-72.97
CC(C(=O)[O-])N(C(=O)NCCCCC[NH+]1CCCC1)C1CC1	REAL300012635241	0	51	0.0	-64.21	381.67	9.07	-55.14
CCC(C(=O)[O-])N(C(=O)NCCCCC[NH+]1CCCC1)C1CC1	REAL300012635242	0	54	0.0	-74.23	397.26	10.23	-64.00
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1=CC=CC=C1Cl	REAL300012635243	0	51	0.0	-79.13	413.42	9.18	-69.95
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1=CC=CC=C1F	REAL300012635244	0	51	0.0	-83.02	405.86	8.83	-74.19
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635245	0	55	0.0	-66.00	416.38	11.17	-54.83
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635246	0	54	0.0	-80.09	439.12	10.01	-70.08
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635247	0	60	0.0	-81.01	467.49	11.73	-69.28
O=C([O-])C(CC1CCCCC1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635248	0	60	0.0	-75.84	445.43	9.95	-65.89
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCCC[NH+]1CCCC1	REAL300012635249	0	57	0.0	-62.20	434.19	12.06	-50.14
CC1=CC=C(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012635250	0	54	0.0	-77.66	422.84	9.42	-68.24
O=C([O-])C(CC(F)(F)F)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635251	0	47	0.0	-70.09	381.23	7.37	-62.72
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1=CC2=CC=CC=C2C=C1	REAL300012635252	0	57	0.0	-79.04	447.45	11.02	-68.02
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CCSCC1	REAL300012635253	0	52	0.0	-75.59	392.51	8.58	-67.01
COCC(C)(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635254	0	51	0.0	-80.15	387.68	6.32	-73.83
CCOCC(C(=O)[O-])N(C)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635255	0	54	0.0	-72.37	407.44	8.04	-64.33
CC(C)CN(CC(=O)[O-])C(=O)NCCCCC[NH+]1CCCC1	REAL300012635256	0	53	0.0	-63.35	399.39	9.76	-53.59
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCCC[NH+]1CCCC1	REAL300012635257	0	60	0.0	-61.07	450.29	12.83	-48.24
O=C([O-])CN(CCC(F)(F)F)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635258	0	50	0.0	-62.58	402.86	9.63	-52.95
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CCOC1	REAL300012635259	0	49	0.0	-75.54	370.94	5.18	-70.36
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1CCCCC1	REAL300012635260	0	57	0.0	-77.10	418.37	8.96	-68.14
CN(C(=O)NCCCCC[NH+]1CCCC1)C(COC1CCC1)C(=O)[O-]	REAL300012635261	0	58	0.0	-73.40	434.23	9.55	-63.85
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635262	0	58	0.0	-85.54	440.55	12.68	-72.86
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CCOCC1	REAL300012635263	0	52	0.0	-78.56	386.24	6.39	-72.17
C=CCCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635264	0	51	0.0	-75.07	399.61	8.01	-67.06
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635265	0	57	0.0	-58.55	432.35	12.47	-46.08
CCC(CC)(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635266	0	53	0.0	-77.09	385.82	7.94	-69.15
COC1=CC=C(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012635267	0	55	0.0	-76.60	430.32	8.07	-68.53
CCC(C)N(CC(=O)[O-])C(=O)NCCCCC[NH+]1CCCC1	REAL300012635268	0	53	0.0	-61.69	396.54	9.93	-51.76
CCC(COC)(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635269	0	54	0.0	-81.50	404.35	7.24	-74.26
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635270	0	57	0.0	-73.03	427.34	8.92	-64.11
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CCS(=O)(=O)CC1	REAL300012635271	0	54	0.0	-80.16	411.35	4.87	-75.29
O=C([O-])C(CC1CC1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635272	0	51	0.0	-74.80	396.08	8.26	-66.54
COCCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635273	0	51	0.0	-74.86	398.14	5.75	-69.11
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635274	0	56	0.0	-72.70	414.48	10.25	-62.45
O=C([O-])C(CC(F)F)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635275	0	47	0.0	-70.99	375.91	7.20	-63.79
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635276	0	57	0.0	-84.58	415.83	11.09	-73.49
CCCN(C(=O)NCCCCC[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012635277	0	53	0.0	-71.58	394.38	9.21	-62.37
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635278	0	57	0.0	-59.62	433.76	12.53	-47.09
CCC(NC(=O)NCCCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012635279	0	57	0.0	-75.57	442.89	10.91	-64.66
CCC(NC(=O)NCCCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012635280	0	57	0.0	-79.12	426.23	10.42	-68.70
COC1CCCC(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])C1	REAL300012635281	0	61	0.0	-80.68	450.82	7.96	-72.72
O=C([O-])C(CCF)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635282	0	47	0.0	-73.29	371.06	6.82	-66.47
COC1(CC(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012635283	0	58	0.0	-77.94	437.04	7.68	-70.26
O=C([O-])CN(C(=O)NCCCCC[NH+]1CCCC1)C1CCOCC1	REAL300012635284	0	55	0.0	-63.24	408.01	8.38	-54.86
O=C([O-])CN(C(=O)NCCCCC[NH+]1CCCC1)C1CCCCC1	REAL300012635285	0	57	0.0	-63.19	416.96	10.76	-52.43
C[C@H]1CC[C@@](NC(=O)NCCCCC[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012635286	0	57	0.0	-80.43	407.02	9.16	-71.27
COC1=CC=CC(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012635287	0	55	0.0	-79.79	430.93	8.04	-71.75
CC(CCF)(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635288	0	50	0.0	-72.73	376.02	7.19	-65.54
O=C([O-])C1C2=C(CCN1C(=O)NCCCCC[NH+]1CCCC1)OC=C2	REAL300012635289	0	52	0.0	-67.40	398.21	9.23	-58.17
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635290	0	48	0.0	-75.31	376.78	8.37	-66.94
COC1=CC=CC([C@H](NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012635291	0	55	0.0	-79.34	430.33	8.06	-71.28
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCCC[NH+]2CCCC2)C1	REAL300012635292	0	57	0.0	-84.00	430.09	10.46	-73.54
COC1=CC=CC(CC(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012635293	0	58	0.0	-76.67	453.18	8.99	-67.68
CC1(C)CCCC(NC(=O)NCCCCC[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012635294	0	60	0.0	-81.06	422.72	9.76	-71.30
O=C([O-])C12CC(C1)CN2C(=O)NCCCCC[NH+]1CCCC1	REAL300012635295	0	49	0.0	-87.55	371.36	9.22	-78.33
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635296	0	57	0.0	-75.28	443.58	10.39	-64.89
CC(NC(=O)NCCCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012635297	0	56	0.0	-80.83	437.49	10.20	-70.63
COC1CN(C(=O)NCCCCC[NH+]2CCCC2)C(C)(C(=O)[O-])C1	REAL300012635298	0	55	0.0	-81.84	414.45	8.11	-73.73
O=C([O-])C(CC1CCCOC1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635299	0	58	0.0	-75.26	436.45	7.57	-67.69
CC(C)(C)[C@H](NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635300	0	53	0.0	-75.57	394.48	7.79	-67.78
C=C(Cl)CC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635301	0	48	0.0	-75.89	394.56	7.73	-68.16
C=C(C)CC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635302	0	51	0.0	-75.61	398.88	7.86	-67.75
O=C([O-])C12CCC(CC1)N2C(=O)NCCCCC[NH+]1CCCC1	REAL300012635303	0	52	0.0	-89.43	385.84	10.03	-79.40
CC(CC1=CC=C(F)C=C1)(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635304	0	57	0.0	-75.89	433.26	9.94	-65.95
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635305	0	48	0.0	-75.31	376.80	8.37	-66.94
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635306	0	48	0.0	-79.16	370.21	8.67	-70.49
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCCC[NH+]2CCCC2)C1	REAL300012635307	0	49	0.0	-82.30	377.22	8.59	-73.71
O=C([O-])C(CC1CCOCC1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635308	0	58	0.0	-76.71	436.76	7.49	-69.22
CC(C)C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635309	0	53	0.0	-75.48	403.76	8.04	-67.44
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1CCOCC1	REAL300012635310	0	55	0.0	-78.34	409.23	6.53	-71.81
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1=CC=CC=C1	REAL300012635311	0	51	0.0	-76.94	400.83	8.77	-68.17
O=C([O-])C(CC1CC1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635312	0	51	0.0	-74.80	396.08	8.26	-66.54
O=C([O-])C(CC1=CN=CS1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635313	0	50	0.0	-73.94	409.43	6.86	-67.08
CC(C)CCCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635314	0	59	0.0	-74.78	446.53	9.53	-65.25
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635315	0	57	0.0	-79.44	452.97	10.21	-69.23
O=C([O-])C(CC1CCCO1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635316	0	55	0.0	-79.84	421.25	7.12	-72.72
CSCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635317	0	48	0.0	-73.37	388.77	7.09	-66.28
COC[C@H](NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635318	0	48	0.0	-77.06	377.16	4.92	-72.14
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635319	0	54	0.0	-74.46	429.90	9.82	-64.64
CCC(C)CC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635320	0	56	0.0	-75.23	421.40	8.64	-66.59
C=CCCCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635321	0	54	0.0	-75.04	421.11	8.79	-66.25
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635322	0	54	0.0	-74.90	430.08	9.76	-65.14
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1=CC=CC2=CC=CC=C21	REAL300012635323	0	57	0.0	-81.73	442.36	10.90	-70.83
O=C([O-])C1CSCCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635324	0	49	0.0	-82.79	375.21	9.71	-73.08
CC(NC(=O)NCCCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012635325	0	54	0.0	-78.29	409.25	9.52	-68.77
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCCCCC[NH+]1CCCC1	REAL300012635326	0	52	0.0	-88.27	385.58	10.15	-78.12
CCN(C(=O)NCCCCC[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012635327	0	53	0.0	-79.16	390.02	9.45	-69.71
CCCN(C(=O)NCCCCC[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012635328	0	53	0.0	-71.58	394.38	9.21	-62.37
O=C([O-])CN(CC(F)(F)F)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635329	0	47	0.0	-70.35	377.84	8.99	-61.36
O=C([O-])CN(CC(F)(F)F)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635330	0	47	0.0	-70.35	377.84	8.99	-61.36
O=C([O-])CN(CCN1CCOCC1)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635331	0	60	0.0	-63.89	451.57	6.97	-56.92
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635332	0	49	0.0	-83.90	375.07	4.84	-79.06
CN1CCN(CCN(CC(=O)[O-])C(=O)NCCCCC[NH+]2CCCC2)CC1	REAL300012635333	1	64	0.0	-63.93	470.40	6.44	-57.49
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCCCC[NH+]1CCCC1	REAL300012635334	0	55	0.0	-62.82	419.84	11.52	-51.30
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCCCC[NH+]2CCCC2)[C@H]1C(=O)[O-]	REAL300012635335	0	58	0.0	-66.22	427.41	11.76	-54.46
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635336	0	56	0.0	-74.36	421.14	9.87	-64.49
O=C([O-])[C@H](NC(=O)NCCCCC[NH+]1CCCC1)C1=CC=CC=C1	REAL300012635337	0	51	0.0	-77.06	401.23	8.83	-68.23
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635338	0	56	0.0	-76.99	441.58	8.69	-68.30
C=CCCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635339	0	51	0.0	-75.07	399.61	8.01	-67.06
O=C([O-])C(CC1=NC=CS1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635340	0	50	0.0	-78.06	410.01	6.75	-71.31
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635341	0	51	0.0	-71.17	428.93	8.50	-62.67
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635342	0	51	0.0	-90.82	394.55	6.15	-84.67
CN1CC(C(=O)[O-])N(C(=O)NCCCCC[NH+]2CCCC2)CC1=O	REAL300012635343	0	52	0.0	-76.89	392.09	7.87	-69.02
C[C@]1(C(=O)[O-])CCCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635344	0	51	0.0	-81.92	381.16	9.14	-72.78
O=C([O-])[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)C1=CC=CC=C1	REAL300012635345	0	51	0.0	-76.93	400.83	8.77	-68.16
CC(CN1C=CC=N1)(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635346	0	54	0.0	-77.39	415.27	8.12	-69.27
O=C([O-])CN(C(=O)NCCCCC[NH+]1CCCC1)C1CCCC1	REAL300012635347	0	54	0.0	-62.69	399.58	10.05	-52.64
CC[C@H](C)[C@H](NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635348	0	53	0.0	-76.56	396.54	7.63	-68.93
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CC(CO)C1	REAL300012635349	0	52	0.0	-81.07	398.69	4.67	-76.40
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635350	0	60	0.0	-78.37	449.30	7.94	-70.43
CC1CCC(NC(=O)NCCCCC[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012635351	0	54	0.0	-80.11	401.37	8.41	-71.70
CC1(C)CCCC1(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635352	0	57	0.0	-81.14	409.24	9.03	-72.11
COCCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635353	0	51	0.0	-74.86	398.14	5.75	-69.11
CN(C(=O)NCCCCC[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012635354	0	57	0.0	-73.82	432.29	11.61	-62.21
CC1(C)CC(NC(=O)NCCCCC[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012635355	0	54	0.0	-81.35	402.85	9.09	-72.26
CC1CCC(NC(=O)NCCCCC[NH+]2CCCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012635356	0	61	0.0	-83.01	450.24	11.12	-71.89
CC1(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])CC1	REAL300012635357	0	51	0.0	-78.04	388.90	8.03	-70.01
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635358	0	60	0.0	-77.32	449.15	7.96	-69.36
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635359	0	49	0.0	-88.43	373.73	5.01	-83.42
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635360	0	59	0.0	-67.42	443.61	12.28	-55.14
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1CCOC1	REAL300012635361	0	52	0.0	-72.70	395.39	5.70	-67.00
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCCCCC[NH+]1CCCC1	REAL300012635362	0	52	0.0	-86.36	385.27	9.67	-76.69
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1=CNC2=CC=CC=C12	REAL300012635363	0	55	0.0	-83.89	433.00	8.82	-75.07
O=C([O-])C12COC(CN1C(=O)NCCCCC[NH+]1CCCC1)C2	REAL300012635364	0	50	0.0	-82.99	378.66	7.40	-75.59
CC1CCC(C(=O)[O-])N(C(=O)NCCCCC[NH+]2CCCC2)C1	REAL300012635365	0	54	0.0	-85.82	396.23	10.44	-75.38
CC(C1=CC=CC=C1)C(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635366	0	57	0.0	-76.93	431.10	9.75	-67.18
O=C([O-])C(CC1CC=CCC1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635367	0	58	0.0	-74.92	433.28	10.54	-64.38
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1CCC1	REAL300012635368	0	51	0.0	-76.62	385.43	7.56	-69.06
CC1(C)CC(NC(=O)NCCCCC[NH+]2CCCC2)(C(=O)[O-])CC(C)(C)O1	REAL300012635369	0	64	0.0	-78.31	458.70	9.43	-68.88
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1CCCCC1	REAL300012635370	0	57	0.0	-77.10	418.37	8.96	-68.14
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1CCC1	REAL300012635371	0	51	0.0	-76.62	385.43	7.56	-69.06
CC1CCN(C(=O)NCCCCC[NH+]2CCCC2)C1C(=O)[O-]	REAL300012635372	0	51	0.0	-83.01	380.23	8.75	-74.26
O=C([O-])C(CC1CCCCO1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635373	0	58	0.0	-78.70	438.68	7.86	-70.84
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635374	0	58	0.0	-60.50	410.66	10.40	-50.10
CC1(C)CC(NC(=O)NCCCCC[NH+]2CCCC2)(C(=O)[O-])CCO1	REAL300012635375	0	58	0.0	-79.44	415.34	7.69	-71.75
CC1=CC=CC2=C1CCN(C(=O)NCCCCC[NH+]1CCCC1)C2C(=O)[O-]	REAL300012635376	0	58	0.0	-67.90	433.81	11.72	-56.18
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635377	0	52	0.0	-62.42	387.05	9.61	-52.81
O=C([O-])C(CC1CC=CCC1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635378	0	58	0.0	-74.92	433.28	10.54	-64.38
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635379	0	54	0.0	-78.31	430.14	9.75	-68.56
COC1CC(NC(=O)NCCCCC[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012635380	0	52	0.0	-82.75	399.89	6.34	-76.41
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CC(F)(F)C1	REAL300012635381	0	48	0.0	-78.48	374.85	7.41	-71.07
CO[C@H]1C[C@](NC(=O)NCCCCC[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012635382	0	52	0.0	-77.20	396.27	6.14	-71.06
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1(C(F)(F)F)CC1	REAL300012635383	0	51	0.0	-76.89	403.26	8.44	-68.45
CCC1(C(=O)[O-])CCCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635384	0	54	0.0	-84.25	394.45	10.36	-73.89
O=C([O-])C(CC(F)(F)F)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635385	0	47	0.0	-70.09	381.23	7.37	-62.72
O=C([O-])C(CC1CCOC1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635386	0	55	0.0	-77.53	419.10	6.68	-70.85
O=C([O-])C(CC1=CC=CS1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635387	0	51	0.0	-76.16	414.77	8.74	-67.42
COCC(NC(=O)NCCCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012635388	0	58	0.0	-77.76	442.44	8.74	-69.02
CC(C)C(C)(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635389	0	53	0.0	-76.93	386.17	7.75	-69.18
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635390	0	49	0.0	-85.62	369.10	9.64	-75.98
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635391	0	52	0.0	-84.07	386.28	9.28	-74.79
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635392	0	57	0.0	-59.62	433.76	12.53	-47.09
O=C([O-])C(CC1CCCCC1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635393	0	60	0.0	-75.84	445.43	9.95	-65.89
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635394	0	57	0.0	-76.44	446.70	10.46	-65.98
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635395	0	57	0.0	-76.44	446.70	10.46	-65.98
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1CC2CCC1C2	REAL300012635396	0	58	0.0	-78.43	427.58	9.32	-69.11
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635397	0	60	0.0	-75.80	445.41	9.96	-65.84
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635398	0	60	0.0	-76.27	445.63	9.88	-66.39
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635399	0	58	0.0	-61.91	426.72	10.50	-51.41
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635400	0	58	0.0	-84.31	420.51	10.29	-74.02
COC1=CC=C(CC(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012635401	0	58	0.0	-78.01	453.22	8.98	-69.03
C=CCSCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635402	0	52	0.0	-73.43	423.04	8.55	-64.88
N#CC1=CC=C(CC(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012635403	0	55	0.0	-75.88	444.55	10.08	-65.80
CCC(C(=O)[O-])N(CC)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635404	0	53	0.0	-78.09	391.30	10.12	-67.97
COC1(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012635405	0	55	0.0	-73.09	412.23	6.31	-66.78
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CCC(C(F)F)CC1	REAL300012635406	0	57	0.0	-79.98	427.21	9.72	-70.26
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CCC2=CC=CC=C2C1	REAL300012635407	0	58	0.0	-81.04	432.74	10.81	-70.23
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CC(C(F)F)C1	REAL300012635408	0	51	0.0	-81.71	398.66	8.18	-73.53
CC(C)(C)C1=CC=C(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012635410	0	63	0.0	-76.68	477.03	11.09	-65.59
CC(C)C1=CC=C(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012635411	0	60	0.0	-76.77	461.46	10.76	-66.01
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635412	0	48	0.0	-79.16	370.21	8.67	-70.49
O=C([O-])C1C2C=CC(C2)N1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635413	0	50	0.0	-62.02	380.13	9.40	-52.62
CC1(C)CCN(C(=O)NCCCCC[NH+]2CCCC2)C1C(=O)[O-]	REAL300012635414	0	54	0.0	-84.09	400.20	9.23	-74.86
CCOC1=CC=C(C(NC(=O)NCCCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012635415	0	58	0.0	-76.40	452.18	9.00	-67.40
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635416	0	58	0.0	-86.43	419.46	11.49	-74.94
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1CCC2=CC=CC=C21	REAL300012635417	0	58	0.0	-77.32	443.80	10.81	-66.51
CC(COC1=CC=CC=C1)(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635418	0	58	0.0	-82.06	443.89	9.79	-72.27
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635419	0	54	0.0	-78.77	436.86	9.69	-69.08
CC(C)CCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635420	0	56	0.0	-75.55	425.86	8.74	-66.81
O=C([O-])C1CC2(CCC2)CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635421	0	55	0.0	-61.79	410.93	10.07	-51.72
O=C([O-])C(CC1CCOC1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635422	0	55	0.0	-77.53	419.10	6.68	-70.85
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCCC[NH+]2CCCC2)C1	REAL300012635423	0	52	0.0	-79.85	406.31	9.71	-70.14
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CCCC2CC21	REAL300012635424	0	55	0.0	-81.92	400.66	9.52	-72.40
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CCC2CC21	REAL300012635425	0	52	0.0	-81.48	387.79	8.62	-72.86
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CC2(CCC2)C1	REAL300012635426	0	55	0.0	-79.99	409.05	9.01	-70.98
CN(C(=O)NCCCCC[NH+]1CCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012635427	0	57	0.0	-73.81	432.80	11.71	-62.10
O=C([O-])C1CC2(CN1C(=O)NCCCCC[NH+]1CCCC1)CCCCC2	REAL300012635428	0	61	0.0	-61.59	439.99	11.05	-50.54
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1CCCC1	REAL300012635429	0	54	0.0	-76.45	401.46	8.26	-68.19
CO[C@H](C)[C@H](NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635430	0	51	0.0	-76.85	395.30	5.91	-70.94
CC1[C@@H](C)[C@@]1(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635431	0	51	0.0	-82.89	388.31	8.41	-74.48
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635432	0	54	0.0	-63.82	422.22	11.49	-52.33
CC1(C)CC(C(=O)[O-])N(C(=O)NCCCCC[NH+]2CCCC2)C1	REAL300012635433	0	54	0.0	-61.80	403.88	9.38	-52.42
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635434	0	55	0.0	-62.38	428.38	11.17	-51.21
O=C([O-])C1CC(F)(F)CCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635435	0	51	0.0	-82.07	386.23	9.69	-72.38
O=C([O-])C1N(C(=O)NCCCCC[NH+]2CCCC2)CCC1(F)F	REAL300012635436	0	48	0.0	-84.57	375.73	8.72	-75.85
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635437	0	54	0.0	-78.31	430.14	9.75	-68.56
O=C([O-])C(CC1=CSC=C1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635438	0	51	0.0	-75.29	414.31	8.69	-66.60
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635439	0	51	0.0	-74.41	393.24	9.25	-65.16
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CC2(CC(F)(F)C2)C1	REAL300012635440	0	55	0.0	-80.51	428.48	9.42	-71.09
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635441	0	59	0.0	-80.71	451.28	10.98	-69.73
O=C([O-])C(CC1=CSC=C1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635442	0	51	0.0	-75.29	414.31	8.69	-66.60
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635443	0	55	0.0	-85.12	401.46	9.90	-75.22
COCCCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635444	0	54	0.0	-75.09	420.47	6.51	-68.58
CCCC(C(=O)[O-])N(C)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635445	0	53	0.0	-72.05	397.22	9.43	-62.62
CCOCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635446	0	51	0.0	-77.13	398.52	5.88	-71.25
CC(C)(C)CC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635447	0	56	0.0	-75.65	415.89	9.12	-66.53
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C1CCCCO1	REAL300012635448	0	55	0.0	-78.55	416.54	7.23	-71.32
O=C([O-])C1(NC(=O)NCCCCC[NH+]2CCCC2)CC2=CC=CC=C2C1	REAL300012635449	0	55	0.0	-79.44	419.41	9.92	-69.52
C[C@H]1OCCN(C(=O)NCCCCC[NH+]2CCCC2)[C@@H]1C(=O)[O-]	REAL300012635450	0	52	0.0	-84.25	385.78	8.09	-76.16
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635451	0	54	0.0	-73.87	406.03	9.50	-64.37
N#CCCC(NC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012635452	0	48	0.0	-75.89	386.15	7.18	-68.71
O=C([O-])C(NC(=O)NCCCCC[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2	REAL300012635453	0	65	0.0	-79.24	456.24	10.78	-68.46
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635454	0	57	0.0	-80.02	453.39	9.99	-70.03
O=C([O-])CN(CC1=CC=CO1)C(=O)NCCCCC[NH+]1CCCC1	REAL300012635455	0	51	0.0	-64.66	403.89	9.63	-55.03
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCCCCC[NH+]1CCCC1	REAL300012635456	0	62	0.0	-84.35	437.37	10.17	-74.18
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCCCCC[NH+]1CCCC1	REAL300012635457	0	53	0.0	-76.33	435.54	8.35	-67.98
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCCC[NH+]2CCCC2)C1	REAL300012635458	0	55	0.0	-83.09	418.88	8.19	-74.90
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@H]2C[C@@H]2C2=CC=CC=C2)CC1	REAL300012635618	0	57	0.0	-62.52	440.22	9.53	-52.99
CC(C)C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635747	0	57	0.0	-72.20	408.96	8.49	-63.71
C=CCOCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635748	0	56	0.0	-73.78	416.74	7.02	-66.76
C=CC(C)C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635749	0	55	0.0	-72.02	398.70	8.35	-63.67
O=C(NC(C(=O)[O-])C1CCOCC1)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635750	0	59	0.0	-71.47	423.93	7.48	-63.99
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1=CC=C(F)C(F)=C1	REAL300012635751	0	55	0.0	-66.99	422.55	9.71	-57.28
COC1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C(C(=O)[O-])C1	REAL300012635752	0	59	0.0	-82.30	412.81	9.36	-72.94
O=C(NC(C(=O)[O-])C1CCCOC1)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635753	0	59	0.0	-70.03	414.15	7.07	-62.96
CC1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C(C(=O)[O-])C1	REAL300012635754	0	58	0.0	-79.95	400.95	10.69	-69.26
CC1=CC(C(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C(=O)[O-])=CC=C1F	REAL300012635755	0	58	0.0	-70.85	433.15	9.95	-60.90
CC1=CC(C(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C(=O)[O-])=CC(C)=C1	REAL300012635756	0	61	0.0	-73.51	452.91	10.83	-62.68
CC1=CC=C(C(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C(=O)[O-])C=C1C	REAL300012635757	0	61	0.0	-73.54	448.51	10.71	-62.83
CC1=CC=CC(C(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C(=O)[O-])=C1C	REAL300012635758	0	61	0.0	-73.49	435.85	10.33	-63.16
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635759	0	54	0.0	-57.37	393.33	10.01	-47.36
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCC1	REAL300012635760	0	58	0.0	-61.75	405.86	10.40	-51.35
CCCN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C(COC)C(=O)[O-]	REAL300012635761	0	61	0.0	-73.79	435.16	10.94	-62.85
CCCN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C(CC)C(=O)[O-]	REAL300012635762	0	60	0.0	-68.97	420.40	11.03	-57.94
CC(C)C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635763	0	54	0.0	-70.79	390.94	8.02	-62.77
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635764	0	55	0.0	-81.40	380.64	10.33	-71.07
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1=CC=C(Cl)C=C1	REAL300012635765	0	55	0.0	-70.60	423.13	9.77	-60.83
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635766	0	53	0.0	-76.23	383.64	10.34	-65.89
O=C(NC1CC[NH+](C2CCCCC2)CC1)NC1(C(=O)[O-])CCCCC1	REAL300012635767	0	58	0.0	-72.99	403.42	9.64	-63.35
O=C([O-])C1CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635768	0	52	0.0	-77.91	369.92	8.70	-69.21
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCC1	REAL300012635769	0	55	0.0	-76.01	385.26	8.29	-67.72
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCCCC1	REAL300012635770	0	61	0.0	-73.50	409.08	10.31	-63.19
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635771	0	58	0.0	-73.51	428.69	10.19	-63.32
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635772	0	58	0.0	-59.80	427.18	12.01	-47.79
O=C([O-])[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1=CC=CC=C1	REAL300012635773	0	55	0.0	-71.93	410.08	9.51	-62.42
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1=CC=CC=C1	REAL300012635774	0	55	0.0	-72.34	409.84	9.59	-62.75
CCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635775	0	51	0.0	-73.00	370.26	7.19	-65.81
CC(C)C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635776	0	54	0.0	-70.79	390.94	8.02	-62.77
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635777	0	58	0.0	-73.51	428.69	10.19	-63.32
CCC(C)C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635778	0	57	0.0	-72.53	399.84	8.13	-64.40
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635779	0	55	0.0	-81.40	380.64	10.33	-71.07
CCCC(C)(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635780	0	57	0.0	-70.91	395.89	8.31	-62.60
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635781	0	54	0.0	-71.12	381.61	9.50	-61.62
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1	REAL300012635782	0	52	0.0	-70.75	376.70	9.66	-61.09
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635783	0	52	0.0	-57.14	384.65	9.82	-47.32
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635784	0	57	0.0	-57.25	407.99	10.53	-46.72
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635785	0	59	0.0	-81.05	418.04	12.24	-68.81
CC(C)(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635786	0	51	0.0	-61.62	364.65	6.81	-54.81
CC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)(C(=O)[O-])C1CC1	REAL300012635787	0	55	0.0	-72.99	383.84	8.31	-64.68
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1=CC=CS1	REAL300012635788	0	52	0.0	-71.97	397.78	8.41	-63.56
O=C(NC1CC[NH+](C2CCCCC2)CC1)NC1(C(=O)[O-])CCCCC1	REAL300012635789	0	58	0.0	-72.99	403.42	9.64	-63.35
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635790	0	54	0.0	-71.12	381.61	9.50	-61.62
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635791	0	54	0.0	-57.37	393.33	10.01	-47.36
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635792	0	51	0.0	-71.15	371.84	9.25	-61.90
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635793	0	57	0.0	-73.79	401.50	8.14	-65.65
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCC1	REAL300012635794	0	55	0.0	-76.01	385.26	8.29	-67.72
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635795	0	58	0.0	-57.70	433.60	12.07	-45.63
CCC(C)(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635796	0	54	0.0	-70.65	374.39	7.56	-63.09
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC2=CC=CC=C2C1	REAL300012635797	0	59	0.0	-73.86	424.38	10.44	-63.42
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1=CC(F)=CC=C1F	REAL300012635798	0	55	0.0	-73.43	417.03	9.49	-63.94
CC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012635799	0	58	0.0	-73.98	414.22	10.04	-63.94
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635800	0	51	0.0	-71.15	371.84	9.25	-61.90
CCCCCCC(C)(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635801	0	66	0.0	-71.03	460.39	10.65	-60.38
CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012635802	0	61	0.0	-71.48	441.41	12.49	-58.99
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1	REAL300012635803	0	49	0.0	-76.53	354.60	7.37	-69.16
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1=CC=C(Cl)C=C1	REAL300012635804	0	55	0.0	-70.60	423.13	9.77	-60.83
O=C([O-])C1COCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635805	0	53	0.0	-77.79	371.21	7.64	-70.15
CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1(C(=O)[O-])CCCCC1	REAL300012635806	0	61	0.0	-77.90	409.03	10.71	-67.19
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1	REAL300012635807	0	52	0.0	-72.07	383.65	7.98	-64.09
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635808	0	61	0.0	-60.77	449.60	12.78	-47.99
CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012635809	0	58	0.0	-77.28	415.00	11.24	-66.04
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635810	0	55	0.0	-58.25	403.21	8.44	-49.81
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O=C([O-])[C@H]1CCCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635813	0	55	0.0	-77.79	383.46	10.35	-67.44
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635814	0	51	0.0	-68.62	360.22	8.20	-60.42
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635815	0	52	0.0	-77.98	369.91	8.70	-69.28
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C=CCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635817	0	52	0.0	-71.67	382.74	7.65	-64.02
CC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635818	0	55	0.0	-75.32	389.74	9.88	-65.44
O=C([O-])C1CCCCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635819	0	58	0.0	-79.77	393.25	10.73	-69.04
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1	REAL300012635820	0	52	0.0	-72.07	383.65	7.98	-64.09
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CCCCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635822	0	57	0.0	-71.31	413.02	8.80	-62.51
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635823	0	61	0.0	-60.77	449.60	12.78	-47.99
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635824	0	55	0.0	-75.27	389.74	9.88	-65.39
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCCC1	REAL300012635825	0	58	0.0	-55.87	398.48	10.35	-45.52
COCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635826	0	52	0.0	-74.47	382.12	5.43	-69.04
CCCCCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635827	0	60	0.0	-72.11	433.92	9.53	-62.58
CCC1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)(C(=O)[O-])CC1	REAL300012635828	0	64	0.0	-72.85	442.49	10.89	-61.96
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCOCC1	REAL300012635829	0	59	0.0	-56.85	416.61	9.15	-47.70
CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1(C(=O)[O-])CCCC1	REAL300012635830	0	58	0.0	-77.16	399.36	10.23	-66.93
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1	REAL300012635831	0	55	0.0	-59.46	390.52	9.99	-49.47
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1	REAL300012635832	0	58	0.0	-58.03	410.86	10.94	-47.09
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O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635835	0	59	0.0	-60.92	421.26	11.71	-49.21
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635836	0	64	0.0	-71.98	450.39	10.46	-61.52
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635837	0	61	0.0	-58.15	439.37	12.62	-45.53
CC1=CC=C(C(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C(=O)[O-])C=C1	REAL300012635838	0	58	0.0	-73.55	427.20	9.97	-63.58
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635839	0	51	0.0	-67.19	386.19	7.89	-59.30
O=C(NC1CC[NH+](C2CCCCC2)CC1)NC1(C(=O)[O-])CCSCC1	REAL300012635840	0	56	0.0	-72.20	397.48	9.08	-63.12
COCC(C)(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635841	0	55	0.0	-75.12	392.64	6.84	-68.28
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635842	0	58	0.0	-69.00	415.50	8.83	-60.17
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635843	0	57	0.0	-57.25	407.99	10.53	-46.72
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1	REAL300012635844	0	52	0.0	-70.75	376.70	9.66	-61.09
O=C([O-])CN(CCC(F)(F)F)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635845	0	54	0.0	-57.30	411.47	10.39	-46.91
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCOC1	REAL300012635846	0	53	0.0	-71.74	375.91	5.70	-66.04
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCCCC1	REAL300012635847	0	61	0.0	-75.12	423.99	9.39	-65.73
CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012635848	0	62	0.0	-69.77	442.84	10.33	-59.44
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635849	0	62	0.0	-79.49	444.42	13.34	-66.15
O=C(NC1CC[NH+](C2CCCCC2)CC1)NC1(C(=O)[O-])CCOCC1	REAL300012635850	0	56	0.0	-75.37	391.20	6.90	-68.47
C=CCCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635851	0	55	0.0	-71.79	403.74	8.53	-63.26
O=C([O-])C(CF)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635852	0	48	0.0	-61.46	352.05	6.19	-55.27
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635853	0	61	0.0	-52.92	436.58	12.96	-39.96
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635854	0	51	0.0	-69.56	360.35	8.25	-61.31
CCC(CC)(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635855	0	57	0.0	-71.65	394.43	8.69	-62.96
COC1=CC=C(C(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C(=O)[O-])C=C1	REAL300012635856	0	59	0.0	-73.85	435.89	8.54	-65.31
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635857	0	57	0.0	-56.70	402.56	10.59	-46.11
CCC(COC)(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635858	0	58	0.0	-76.19	412.73	8.00	-68.19
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635859	0	61	0.0	-69.63	435.77	9.59	-60.04
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635860	0	55	0.0	-71.86	402.39	8.62	-63.24
COCCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635861	0	55	0.0	-72.54	403.10	6.27	-66.27
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635862	0	60	0.0	-68.30	422.19	10.78	-57.52
O=C([O-])C(CC(F)F)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635863	0	51	0.0	-71.35	382.61	7.48	-63.87
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635864	0	61	0.0	-79.61	420.87	11.62	-67.99
CCCN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C(C)C(=O)[O-]	REAL300012635865	0	57	0.0	-50.85	404.29	10.85	-40.00
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635866	0	61	0.0	-77.88	438.09	12.87	-65.01
CCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012635867	0	61	0.0	-73.30	434.84	11.18	-62.12
COC1CCCC(C(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C(=O)[O-])C1	REAL300012635868	0	65	0.0	-77.54	456.44	8.38	-69.16
O=C([O-])C(CCF)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635869	0	51	0.0	-71.80	376.85	7.33	-64.47
COC1(CC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C(=O)[O-])CCC1	REAL300012635870	0	62	0.0	-71.49	440.61	8.30	-63.19
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCOCC1	REAL300012635871	0	59	0.0	-56.85	416.61	9.15	-47.70
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCCCC1	REAL300012635872	0	61	0.0	-58.72	425.58	11.52	-47.20
C[C@H]1CC[C@@](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)(C(=O)[O-])CC1	REAL300012635873	0	61	0.0	-73.15	417.22	10.03	-63.12
COC1=CC=CC(C(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C(=O)[O-])=C1	REAL300012635874	0	59	0.0	-74.61	439.35	8.88	-65.73
CC(CCF)(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635875	0	54	0.0	-67.75	380.98	7.70	-60.05
O=C([O-])C1C2=C(CCN1C(=O)NC1CC[NH+](C3CCCCC3)CC1)OC=C2	REAL300012635876	0	56	0.0	-62.86	404.14	9.88	-52.98
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635877	0	52	0.0	-71.08	387.86	9.10	-61.98
COC1=CC=CC([C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C(=O)[O-])=C1	REAL300012635878	0	59	0.0	-75.62	435.92	8.54	-67.08
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635879	0	51	0.0	-69.04	361.28	8.25	-60.79
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1	REAL300012635880	0	61	0.0	-79.83	435.31	10.99	-68.84
CC1(C)CCCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)(C(=O)[O-])C1	REAL300012635881	0	64	0.0	-77.20	427.70	10.28	-66.92
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635882	0	53	0.0	-83.08	376.27	9.72	-73.36
COC1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C(C)(C(=O)[O-])C1	REAL300012635883	0	59	0.0	-77.28	423.06	8.84	-68.44
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635884	0	62	0.0	-71.85	437.42	8.69	-63.16
CC(C)(C)[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635885	0	57	0.0	-72.64	399.44	8.32	-64.32
C=C(Cl)CC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635886	0	52	0.0	-68.12	398.74	8.32	-59.80
C=C(C)CC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635887	0	55	0.0	-71.89	400.77	8.73	-63.16
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635888	0	56	0.0	-85.65	391.14	10.51	-75.14
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635889	0	52	0.0	-73.49	384.21	8.85	-64.64
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635890	0	52	0.0	-74.21	380.07	9.02	-65.19
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1	REAL300012635891	0	53	0.0	-77.35	386.87	9.41	-67.94
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635892	0	62	0.0	-72.73	437.27	8.74	-63.99
CC(C)C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635893	0	57	0.0	-72.20	408.96	8.49	-63.71
O=C(NC(C(=O)[O-])C1CCOCC1)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635894	0	59	0.0	-71.47	423.93	7.48	-63.99
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1=CC=CC=C1	REAL300012635895	0	55	0.0	-72.34	409.84	9.59	-62.75
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635896	0	55	0.0	-71.86	402.39	8.62	-63.24
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635897	0	54	0.0	-70.72	414.39	7.38	-63.34
CC(C)CCCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635898	0	63	0.0	-71.23	452.09	10.08	-61.15
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635899	0	59	0.0	-75.70	426.21	7.62	-68.08
CSCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635900	0	52	0.0	-70.30	393.73	7.61	-62.69
COC[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635901	0	52	0.0	-73.14	385.76	5.68	-67.46
CC[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635902	0	51	0.0	-71.55	373.90	7.44	-64.11
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635903	0	58	0.0	-71.36	435.11	10.27	-61.09
CCC(C)CC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635904	0	60	0.0	-72.87	426.42	9.20	-63.67
C=CCCCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635905	0	58	0.0	-71.31	425.83	9.36	-61.95
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635906	0	58	0.0	-71.50	434.24	10.29	-61.21
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635907	0	53	0.0	-76.23	383.64	10.34	-65.89
CC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012635908	0	58	0.0	-73.98	414.22	10.04	-63.94
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635909	0	52	0.0	-78.43	374.88	8.94	-69.49
CCCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635910	0	54	0.0	-72.92	391.76	7.96	-64.96
CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635911	0	54	0.0	-73.38	387.30	7.76	-65.62
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635912	0	56	0.0	-81.43	394.21	10.92	-70.51
CCN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C(C)(C)C(=O)[O-]	REAL300012635913	0	57	0.0	-73.70	398.58	10.19	-63.51
CCCN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C(C)C(=O)[O-]	REAL300012635914	0	57	0.0	-50.85	404.29	10.85	-40.00
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635915	0	51	0.0	-66.77	386.45	9.75	-57.02
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635916	0	51	0.0	-66.77	386.45	9.75	-57.02
CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C(C)(C)C(=O)[O-]	REAL300012635917	0	54	0.0	-73.83	379.05	9.34	-64.49
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635918	0	52	0.0	-77.98	369.91	8.70	-69.28
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635919	0	64	0.0	-58.67	456.53	7.49	-51.18
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635920	0	53	0.0	-78.22	384.71	5.63	-72.59
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635921	0	59	0.0	-58.80	424.15	11.92	-46.88
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H]1C(=O)[O-]	REAL300012635922	0	62	0.0	-62.59	432.95	12.24	-50.35
CCC[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635923	0	54	0.0	-72.91	391.76	7.95	-64.96
O=C([O-])[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1=CC=CC=C1	REAL300012635924	0	55	0.0	-71.93	410.08	9.51	-62.42
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635925	0	60	0.0	-71.57	449.36	9.49	-62.08
C=CCCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635926	0	55	0.0	-71.79	403.74	8.53	-63.26
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635927	0	54	0.0	-74.38	414.97	7.25	-67.13
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635928	0	55	0.0	-86.55	399.60	6.63	-79.92
CN1CC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1=O	REAL300012635929	0	56	0.0	-72.85	397.05	8.36	-64.49
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635930	0	55	0.0	-76.91	386.08	9.64	-67.27
CC(C)[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635931	0	54	0.0	-71.99	390.94	8.02	-63.97
O=C([O-])[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1=CC=CC=C1	REAL300012635932	0	55	0.0	-73.29	406.39	9.25	-64.04
CC(CN1C=CC=N1)(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635933	0	58	0.0	-72.99	420.22	8.61	-64.38
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635934	0	51	0.0	-69.04	361.28	8.25	-60.79
CCC[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635935	0	54	0.0	-72.91	391.76	7.95	-64.96
CCN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C(C)C(=O)[O-]	REAL300012635936	0	54	0.0	-68.14	382.87	9.37	-58.77
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCCC1	REAL300012635937	0	58	0.0	-55.87	398.48	10.35	-45.52
CC(CN(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635938	0	54	0.0	-73.01	380.62	8.65	-64.36
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635939	0	57	0.0	-73.79	401.50	8.14	-65.65
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635940	0	54	0.0	-69.45	380.68	9.19	-60.26
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC(CO)C1	REAL300012635941	0	56	0.0	-76.86	403.65	5.17	-71.69
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635942	0	64	0.0	-75.42	453.71	8.43	-66.99
CC1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)(C(=O)[O-])C1	REAL300012635943	0	58	0.0	-73.20	409.97	9.16	-64.04
CC1(C)CCCC1(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635944	0	61	0.0	-74.81	415.80	9.64	-65.17
COCCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635945	0	55	0.0	-72.54	403.10	6.27	-66.27
CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012635946	0	61	0.0	-71.48	441.41	12.49	-58.99
CC1(C)CC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)(C(=O)[O-])C1	REAL300012635947	0	58	0.0	-77.52	407.81	9.60	-67.92
CC1(C(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C(=O)[O-])CC1	REAL300012635948	0	55	0.0	-74.35	393.87	8.55	-65.80
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635949	0	64	0.0	-71.73	457.70	8.71	-63.02
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635950	0	53	0.0	-83.53	379.71	5.58	-77.95
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCOC1	REAL300012635951	0	56	0.0	-70.22	401.07	6.44	-63.78
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635952	0	56	0.0	-81.27	390.73	10.23	-71.04
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1=CNC2=CC=CC=C12	REAL300012635953	0	59	0.0	-80.04	438.10	9.40	-70.64
O=C([O-])C12COC(CN1C(=O)NC1CC[NH+](C3CCCCC3)CC1)C2	REAL300012635954	0	54	0.0	-78.93	383.17	7.99	-70.94
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1	REAL300012635955	0	58	0.0	-81.03	401.45	10.97	-70.06
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635956	0	61	0.0	-72.25	442.68	10.51	-61.74
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635957	0	62	0.0	-72.77	442.73	10.39	-62.38
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCC1	REAL300012635958	0	55	0.0	-73.18	389.93	8.15	-65.03
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCCCC1	REAL300012635959	0	61	0.0	-75.12	423.99	9.39	-65.73
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCC1	REAL300012635960	0	55	0.0	-73.18	389.93	8.15	-65.03
CC1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1C(=O)[O-]	REAL300012635961	0	55	0.0	-79.63	387.73	9.19	-70.44
C=CCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635962	0	52	0.0	-71.67	382.74	7.65	-64.02
O=C([O-])C(CC1CCCCO1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635963	0	62	0.0	-71.53	442.50	8.90	-62.63
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635964	0	62	0.0	-55.93	430.66	11.32	-44.61
CC1(C)CC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)(C(=O)[O-])CCO1	REAL300012635965	0	62	0.0	-74.96	420.31	8.19	-66.77
CC1=CC=CC2=C1CCN(C(=O)NC1CC[NH+](C3CCCCC3)CC1)C2C(=O)[O-]	REAL300012635966	0	62	0.0	-64.24	439.29	12.15	-52.09
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635967	0	56	0.0	-53.98	395.37	10.37	-43.61
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635968	0	62	0.0	-72.77	442.73	10.39	-62.38
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635969	0	58	0.0	-74.36	434.86	10.32	-64.04
COC1CC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)(C(=O)[O-])C1	REAL300012635970	0	56	0.0	-78.08	404.76	6.85	-71.23
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC(F)(F)C1	REAL300012635971	0	52	0.0	-73.91	379.81	7.92	-65.99
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)(C(=O)[O-])C1	REAL300012635972	0	56	0.0	-72.83	407.11	7.39	-65.44
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1(C(F)(F)F)CC1	REAL300012635973	0	55	0.0	-74.58	410.39	8.95	-65.63
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635974	0	58	0.0	-79.45	399.41	10.88	-68.57
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635975	0	51	0.0	-67.19	386.19	7.89	-59.30
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635976	0	59	0.0	-74.22	425.11	7.24	-66.98
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)COC1	REAL300012635977	0	50	0.0	-68.26	365.86	5.17	-63.09
O=C([O-])C(CC1=CC=CS1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635978	0	55	0.0	-73.34	419.72	9.28	-64.06
CC(C)C(C)(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635979	0	57	0.0	-71.34	389.32	8.18	-63.16
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635980	0	53	0.0	-80.02	380.00	10.53	-69.49
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635981	0	56	0.0	-79.79	392.20	9.67	-70.12
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635982	0	61	0.0	-77.88	438.09	12.87	-65.01
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635983	0	64	0.0	-71.98	450.39	10.46	-61.52
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635984	0	61	0.0	-72.86	451.67	10.97	-61.89
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635985	0	61	0.0	-71.48	455.30	11.23	-60.25
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC2CCC1C2	REAL300012635986	0	62	0.0	-74.13	432.97	10.03	-64.10
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635987	0	64	0.0	-72.01	450.39	10.46	-61.55
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635988	0	64	0.0	-73.66	450.59	10.39	-63.27
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635989	0	62	0.0	-53.45	434.44	11.31	-42.14
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635990	0	62	0.0	-78.77	431.46	11.04	-67.73
C=CCSCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012635991	0	56	0.0	-69.52	428.24	8.99	-60.53
N#CC1=CC=C(CC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C(=O)[O-])C=C1	REAL300012635992	0	59	0.0	-72.41	449.51	10.58	-61.83
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635993	0	57	0.0	-68.86	398.95	10.30	-58.56
COC1(C(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C(=O)[O-])CCC1	REAL300012635994	0	59	0.0	-68.88	417.85	6.86	-62.02
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCC2=CC=CC=C2C1	REAL300012635995	0	62	0.0	-76.09	437.75	11.31	-64.78
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC(C(F)F)C1	REAL300012635996	0	55	0.0	-79.54	403.24	8.73	-70.81
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635998	0	52	0.0	-74.21	380.07	9.02	-65.19
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012635999	0	54	0.0	-55.87	388.75	10.16	-45.71
CC1(C)CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1C(=O)[O-]	REAL300012636000	0	58	0.0	-80.51	405.15	9.75	-70.76
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012636001	0	62	0.0	-79.55	425.62	11.76	-67.79
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCC2=CC=CC=C21	REAL300012636002	0	62	0.0	-73.35	446.88	11.14	-62.21
CC(C)CCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012636003	0	60	0.0	-72.95	430.83	9.26	-63.69
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012636004	0	59	0.0	-54.49	416.83	10.52	-43.97
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012636005	0	59	0.0	-74.22	425.11	7.24	-66.98
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1	REAL300012636006	0	56	0.0	-76.49	412.31	10.26	-66.23
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCC2CC21	REAL300012636007	0	59	0.0	-78.23	405.61	10.02	-68.21
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCC2CC21	REAL300012636008	0	56	0.0	-76.32	392.75	9.12	-67.20
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC2(CCC2)C1	REAL300012636009	0	59	0.0	-75.00	414.02	9.50	-65.50
CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012636010	0	61	0.0	-71.06	437.26	12.13	-58.93
O=C([O-])C1CC2(CN1C(=O)NC1CC[NH+](C3CCCCC3)CC1)CCCCC2	REAL300012636011	0	65	0.0	-53.90	445.05	11.54	-42.36
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCCC1	REAL300012636012	0	58	0.0	-72.46	412.05	8.91	-63.55
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012636013	0	55	0.0	-74.29	400.27	6.42	-67.87
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012636014	0	55	0.0	-75.20	384.41	8.42	-66.78
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012636015	0	58	0.0	-59.80	427.18	12.01	-47.79
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1	REAL300012636016	0	58	0.0	-53.74	412.49	10.14	-43.60
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012636017	0	55	0.0	-76.15	394.93	10.43	-65.72
O=C([O-])C1N(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCC1(F)F	REAL300012636018	0	52	0.0	-81.40	381.71	8.83	-72.57
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012636019	0	58	0.0	-74.36	434.86	10.32	-64.04
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012636020	0	55	0.0	-73.49	419.51	9.11	-64.38
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012636021	0	55	0.0	-71.52	398.21	9.75	-61.77
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC2(CC(F)(F)C2)C1	REAL300012636022	0	59	0.0	-76.43	433.44	9.92	-66.51
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012636023	0	55	0.0	-73.49	419.51	9.11	-64.38
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012636024	0	59	0.0	-81.20	407.90	10.25	-70.95
COCCCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012636025	0	58	0.0	-71.32	425.44	7.03	-64.29
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012636026	0	57	0.0	-70.58	402.19	9.95	-60.63
CCOCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012636027	0	55	0.0	-73.33	403.84	6.45	-66.88
CC(C)(C)CC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012636028	0	60	0.0	-71.72	424.50	9.90	-61.82
O=C(NC(C(=O)[O-])C1CCCCO1)NC1CC[NH+](C2CCCCC2)CC1	REAL300012636029	0	59	0.0	-74.20	421.01	7.74	-66.46
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC2=CC=CC=C2C1	REAL300012636030	0	59	0.0	-73.86	424.38	10.44	-63.42
C[C@H]1OCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H]1C(=O)[O-]	REAL300012636031	0	56	0.0	-78.20	395.27	8.93	-69.27
N#CCCC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300012636032	0	52	0.0	-73.62	390.28	7.71	-65.91
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012636033	0	55	0.0	-59.05	408.85	10.15	-48.90
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300012636034	0	51	0.0	-68.62	360.22	8.20	-60.42
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1	REAL300012636035	0	59	0.0	-74.24	428.04	9.16	-65.08
CSC1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012636214	0	57	0.0	-64.47	452.90	9.20	-55.27
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCCS(N)(=O)=O)CC1	REAL300012636502	0	54	0.0	-68.15	425.92	0.70	-67.45
CNS(=O)(=O)CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012636788	0	54	0.0	-67.70	425.65	1.15	-66.55
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C2CCCCC2)CC1	REAL300012637346	0	65	0.0	-62.42	458.06	9.33	-53.09
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCCS(C)(=O)=O)CC1	REAL300012637630	0	55	0.0	-68.83	432.69	3.26	-65.57
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3CCC2C3)CC1	REAL300012637865	0	57	0.0	-62.40	417.50	8.08	-54.32
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCN(C3=CC=CC=N3)C2)CC1	REAL300012638656	0	58	0.0	-64.66	442.30	6.79	-57.87
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC(C(C)(C)C)CC2)CC1	REAL300012638966	0	68	0.0	-63.33	475.04	9.55	-53.78
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2(O)CCOCC2)CC1	REAL300012639251	0	58	0.0	-63.61	428.45	2.98	-60.63
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3=CC=CC=C3OC2)CC1	REAL300012639557	0	58	0.0	-62.67	439.46	7.96	-54.71
CC(C)C[C@H](NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639690	0	53	0.0	-68.39	386.29	7.46	-60.93
C=CCOCC(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639691	0	52	0.0	-72.27	397.48	5.94	-66.33
C=CC(C)C(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639692	0	51	0.0	-72.43	376.14	7.08	-65.35
CC(CCNC(=O)NC(C(=O)[O-])C1CCOCC1)[NH+]1CCCCC1	REAL300012639693	0	55	0.0	-69.23	397.75	6.18	-63.05
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[NH+]1CCCCC1	REAL300012639694	0	51	0.0	-61.86	396.37	8.42	-53.44
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[NH+]1CCCCC1	REAL300012639695	0	51	0.0	-61.69	406.26	8.86	-52.83
COC1CCN(C(=O)NCCC(C)[NH+]2CCCCC2)C(C(=O)[O-])C1	REAL300012639696	0	55	0.0	-74.85	388.12	8.15	-66.70
CC(CCNC(=O)NC(C(=O)[O-])C1CCCOC1)[NH+]1CCCCC1	REAL300012639697	0	55	0.0	-65.59	392.53	5.94	-59.65
CC(CCNC(=O)N1CCC(C)CC1C(=O)[O-])[NH+]1CCCCC1	REAL300012639698	0	54	0.0	-75.10	379.03	9.95	-65.15
CC1=CC(C(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])=CC=C1F	REAL300012639699	0	54	0.0	-65.84	410.37	8.98	-56.86
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)[NH+]1CCCCC1	REAL300012639700	0	56	0.0	-68.96	419.80	8.05	-60.91
CC1=CC(C)=CC(C(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300012639701	0	57	0.0	-70.08	426.68	9.54	-60.54
CC1=CC=C(C(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])C=C1C	REAL300012639702	0	57	0.0	-69.73	422.06	9.50	-60.23
COC1=CC=C(C(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])C=C1Cl	REAL300012639703	0	55	0.0	-68.72	429.41	8.07	-60.65
CC1=CC=CC(C(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])=C1C	REAL300012639704	0	57	0.0	-69.47	413.87	9.23	-60.24
COC1=CC=C(C(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300012639705	0	55	0.0	-69.49	419.61	7.57	-61.92
CC(CCNC(=O)N(C(C)C(=O)[O-])C1CCC1)[NH+]1CCCCC1	REAL300012639706	0	54	0.0	-59.79	382.77	8.99	-50.80
CCCN(C(=O)NCCC(C)[NH+]1CCCCC1)C(COC)C(=O)[O-]	REAL300012639707	0	57	0.0	-75.60	413.81	9.67	-65.93
CCCN(C(=O)NCCC(C)[NH+]1CCCCC1)C(CC)C(=O)[O-]	REAL300012639708	0	56	0.0	-73.93	398.95	10.35	-63.58
CC(CCNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCCCC1	REAL300012639709	0	51	0.0	-75.40	358.29	9.33	-66.07
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[NH+]1CCCCC1	REAL300012639710	0	51	0.0	-65.55	400.92	8.73	-56.82
CC(CCNC(=O)N1CCSCC1C(=O)[O-])[NH+]1CCCCC1	REAL300012639711	0	49	0.0	-72.05	357.60	9.18	-62.87
CC(CCNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCCCC1	REAL300012639712	0	54	0.0	-68.74	377.58	8.34	-60.40
CC(CCNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCCCC1	REAL300012639713	0	51	0.0	-71.39	362.15	7.22	-64.17
CC(CCNC(=O)NC1(C(=O)[O-])CCCCCC1)[NH+]1CCCCC1	REAL300012639714	0	57	0.0	-69.28	383.24	9.02	-60.26
CC(CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639715	0	54	0.0	-73.46	409.53	9.24	-64.22
CC(CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[NH+]1CCCCC1	REAL300012639716	0	54	0.0	-57.07	408.27	10.98	-46.09
CC(CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCCC1	REAL300012639717	0	51	0.0	-67.37	383.95	8.27	-59.10
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCCC1	REAL300012639718	0	51	0.0	-67.12	383.64	8.29	-58.83
CC(CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639719	0	54	0.0	-73.46	409.53	9.24	-64.22
CCC(C)C(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639720	0	53	0.0	-71.71	384.46	7.41	-64.30
CC(CCNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCCCC1	REAL300012639721	0	51	0.0	-75.40	358.29	9.33	-66.07
CCCC(C)(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639722	0	53	0.0	-71.18	376.98	7.30	-63.88
CC(C)CN(CC(=O)[O-])C(=O)NCCC(C)[NH+]1CCCCC1	REAL300012639723	0	53	0.0	-56.81	385.43	9.25	-47.56
CC(CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[NH+]1CCCCC1	REAL300012639724	0	55	0.0	-74.15	395.73	11.19	-62.96
CC(CCNC(=O)NC(C)(C(=O)[O-])C1CC1)[NH+]1CCCCC1	REAL300012639725	0	51	0.0	-73.38	364.98	7.29	-66.09
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=CS1)[NH+]1CCCCC1	REAL300012639726	0	48	0.0	-65.39	375.28	7.37	-58.02
CC(CCNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCCCC1	REAL300012639727	0	54	0.0	-68.74	377.58	8.34	-60.40
CC(CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)[NH+]1CCCCC1	REAL300012639728	0	54	0.0	-50.55	415.36	11.19	-39.36
CC(CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+]1CCCCC1	REAL300012639729	0	58	0.0	-69.84	434.34	9.24	-60.60
CC[C@H](C)[C@H](NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639730	0	53	0.0	-69.05	378.97	7.10	-61.95
CC(CCNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCCCC1	REAL300012639731	0	51	0.0	-71.39	362.15	7.22	-64.17
CC(CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[NH+]1CCCCC1	REAL300012639732	0	54	0.0	-51.08	405.03	10.73	-40.35
CC(CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[NH+]1CCCCC1	REAL300012639733	0	55	0.0	-67.90	401.85	9.39	-58.51
CC(CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)[NH+]1CCCCC1	REAL300012639734	0	51	0.0	-67.01	394.83	8.45	-58.56
CC(CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCCC1	REAL300012639735	0	54	0.0	-73.38	395.24	9.08	-64.30
CCCCCCC(C)(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639736	0	62	0.0	-71.25	441.48	9.63	-61.62
CC(CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639737	0	57	0.0	-71.28	418.86	11.21	-60.07
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[NH+]1CCCCC1	REAL300012639738	0	51	0.0	-65.55	400.92	8.73	-56.82
CC(CCNC(=O)N1CCOCC1C(=O)[O-])[NH+]1CCCCC1	REAL300012639739	0	49	0.0	-71.36	349.28	6.66	-64.70
CC(CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[NH+]1CCCCC1	REAL300012639740	0	57	0.0	-72.58	386.92	9.58	-63.00
CC(CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[NH+]1CCCCC1	REAL300012639741	0	57	0.0	-57.93	430.68	11.76	-46.17
CC(CCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCCC1	REAL300012639742	0	54	0.0	-71.11	398.69	10.12	-60.99
COCCN(CC(=O)[O-])C(=O)NCCC(C)[NH+]1CCCCC1	REAL300012639743	0	51	0.0	-57.51	380.65	7.16	-50.35
CC(CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)[NH+]1CCCCC1	REAL300012639744	0	55	0.0	-72.89	398.91	9.34	-63.55
CC(CCNC(=O)N1CCCC[C@@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012639745	0	51	0.0	-73.67	357.25	9.10	-64.57
CC(CCNC(=O)N1CCCC1(C)C(=O)[O-])[NH+]1CCCCC1	REAL300012639746	0	51	0.0	-77.21	367.18	8.63	-68.58
CC(CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+]1CCCCC1	REAL300012639747	0	58	0.0	-73.47	440.10	9.13	-64.34
CC(CCNC(=O)N1CCCCCC1C(=O)[O-])[NH+]1CCCCC1	REAL300012639748	0	54	0.0	-74.38	370.92	9.69	-64.69
CCCCC(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639749	0	53	0.0	-70.56	393.52	7.72	-62.84
CC(CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[NH+]1CCCCC1	REAL300012639750	0	57	0.0	-57.93	430.68	11.76	-46.17
CC(CCNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[NH+]1CCCCC1	REAL300012639751	0	51	0.0	-77.16	367.27	8.60	-68.56
CC(CCNC(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCCCC1	REAL300012639752	0	54	0.0	-52.66	382.01	9.52	-43.14
COCC(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639753	0	48	0.0	-72.24	362.72	4.39	-67.85
CCCCCC(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639754	0	56	0.0	-70.51	415.01	8.50	-62.01
CCC1CCC(NC(=O)NCCC(C)[NH+]2CCCCC2)(C(=O)[O-])CC1	REAL300012639755	0	60	0.0	-68.35	416.31	9.61	-58.74
CC(CCNC(=O)N(CC(=O)[O-])C1CCOCC1)[NH+]1CCCCC1	REAL300012639756	0	55	0.0	-52.97	390.44	7.85	-45.12
CC(CCNC(=O)N(C)C1(C(=O)[O-])CCCC1)[NH+]1CCCCC1	REAL300012639757	0	54	0.0	-73.75	373.21	8.94	-64.81
CC(CCNC(=O)N(C(C)C(=O)[O-])C1CC1)[NH+]1CCCCC1	REAL300012639758	0	51	0.0	-57.22	363.94	8.53	-48.69
CCC(C(=O)[O-])N(C(=O)NCCC(C)[NH+]1CCCCC1)C1CC1	REAL300012639759	0	54	0.0	-67.32	380.77	9.57	-57.75
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)[NH+]1CCCCC1	REAL300012639760	0	51	0.0	-68.28	396.19	8.74	-59.54
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)[NH+]1CCCCC1	REAL300012639761	0	51	0.0	-71.86	388.43	8.38	-63.48
CC(CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[NH+]1CCCCC1	REAL300012639762	0	55	0.0	-57.11	399.12	10.63	-46.48
CC(CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])[NH+]1CCCCC1	REAL300012639763	0	54	0.0	-64.98	419.52	9.26	-55.72
CC(CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])[NH+]1CCCCC1	REAL300012639764	0	60	0.0	-72.90	449.27	11.21	-61.69
CC(CCNC(=O)NC(CC1CCCCC1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639765	0	60	0.0	-66.04	427.81	9.41	-56.63
CC(CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)[NH+]1CCCCC1	REAL300012639766	0	57	0.0	-57.40	422.14	11.40	-46.00
CC1=CC=C(C(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300012639767	0	54	0.0	-68.92	405.06	8.96	-59.96
CC(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCCCC1	REAL300012639768	0	47	0.0	-65.14	366.45	6.89	-58.25
CC(CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[NH+]1CCCCC1	REAL300012639769	0	57	0.0	-70.68	429.88	10.49	-60.19
CC(CCNC(=O)NC1(C(=O)[O-])CCSCC1)[NH+]1CCCCC1	REAL300012639770	0	52	0.0	-67.41	374.93	8.02	-59.39
COCC(C)(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639771	0	51	0.0	-75.31	373.73	5.83	-69.48
CCOCC(C(=O)[O-])N(C)C(=O)NCCC(C)[NH+]1CCCCC1	REAL300012639772	0	54	0.0	-69.31	393.26	7.58	-61.73
CC(C)CN(CC(=O)[O-])C(=O)NCCC(C)[NH+]1CCCCC1	REAL300012639773	0	53	0.0	-56.81	385.43	9.25	-47.56
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC(C)[NH+]1CCCCC1	REAL300012639774	0	60	0.0	-56.29	433.08	12.22	-44.07
CC(CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[NH+]1CCCCC1	REAL300012639775	0	50	0.0	-56.73	388.91	9.11	-47.62
CC(CCNC(=O)NC1(C(=O)[O-])CCOC1)[NH+]1CCCCC1	REAL300012639776	0	49	0.0	-66.75	353.37	4.65	-62.10
CC(CCNC(=O)NC(C(=O)[O-])C1CCCCC1)[NH+]1CCCCC1	REAL300012639777	0	57	0.0	-73.36	404.41	8.45	-64.91
CC(CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639778	0	58	0.0	-65.68	416.96	8.92	-56.76
CC(CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)[NH+]1CCCCC1	REAL300012639779	0	58	0.0	-74.10	422.09	12.30	-61.80
CC(CCNC(=O)NC1(C(=O)[O-])CCOCC1)[NH+]1CCCCC1	REAL300012639780	0	52	0.0	-70.59	368.67	5.86	-64.73
C=CCCC(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639781	0	51	0.0	-70.31	384.83	7.50	-62.81
CC(CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])[NH+]1CCCCC1	REAL300012639782	0	57	0.0	-47.77	415.65	12.06	-35.71
CCC(CC)(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639783	0	53	0.0	-72.85	371.87	7.43	-65.42
COC1=CC=C(C(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300012639784	0	55	0.0	-68.72	413.69	7.51	-61.21
CCC(C)N(CC(=O)[O-])C(=O)NCCC(C)[NH+]1CCCCC1	REAL300012639785	0	53	0.0	-54.83	382.31	9.53	-45.30
CCC(COC)(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639786	0	54	0.0	-76.68	390.40	6.73	-69.95
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC(C)[NH+]1CCCCC1	REAL300012639787	0	57	0.0	-69.62	413.67	8.41	-61.21
CC(CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)[NH+]1CCCCC1	REAL300012639788	0	54	0.0	-70.25	393.78	4.35	-65.90
CC(CCNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639789	0	51	0.0	-68.06	379.34	7.70	-60.36
COCCC(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639790	0	51	0.0	-70.88	384.19	5.24	-65.64
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC(C)[NH+]1CCCCC1	REAL300012639791	0	56	0.0	-68.35	399.59	9.64	-58.71
CC(CCNC(=O)NC(CC(F)F)C(=O)[O-])[NH+]1CCCCC1	REAL300012639792	0	47	0.0	-70.86	363.70	6.46	-64.40
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC(C)[NH+]1CCCCC1	REAL300012639793	0	57	0.0	-75.39	398.57	10.57	-64.82
CCCN(C(=O)NCCC(C)[NH+]1CCCCC1)C(C)C(=O)[O-]	REAL300012639794	0	53	0.0	-51.09	381.85	9.58	-41.51
CC(CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[NH+]1CCCCC1	REAL300012639795	0	57	0.0	-73.37	419.39	11.71	-61.66
CCC(NC(=O)NCCC(C)[NH+]1CCCCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012639796	0	57	0.0	-66.35	425.65	10.38	-55.97
CCC(NC(=O)NCCC(C)[NH+]1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012639797	0	57	0.0	-74.67	412.28	9.91	-64.76
COC1CCCC(C(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])C1	REAL300012639798	0	61	0.0	-72.73	438.84	7.60	-65.13
CC(CCNC(=O)NC(CCF)C(=O)[O-])[NH+]1CCCCC1	REAL300012639799	0	47	0.0	-70.00	357.94	6.31	-63.69
COC1(CC(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])CCC1	REAL300012639800	0	58	0.0	-70.29	417.51	7.52	-62.77
CC(CCNC(=O)N(CC(=O)[O-])C1CCOCC1)[NH+]1CCCCC1	REAL300012639801	0	55	0.0	-52.97	390.44	7.85	-45.12
CC(CCNC(=O)N(CC(=O)[O-])C1CCCCC1)[NH+]1CCCCC1	REAL300012639802	0	57	0.0	-56.42	403.00	10.25	-46.17
CC(CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[NH+]1CCCCC1	REAL300012639803	0	57	0.0	-75.94	394.76	8.76	-67.18
COC1=CC=CC(C(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300012639804	0	55	0.0	-75.25	416.98	7.53	-67.72
CC(CCNC(=O)NC(C)(CCF)C(=O)[O-])[NH+]1CCCCC1	REAL300012639805	0	50	0.0	-67.91	362.07	6.68	-61.23
CC(CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[NH+]1CCCCC1	REAL300012639806	0	52	0.0	-60.71	380.95	8.70	-52.01
CC(CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012639807	0	48	0.0	-72.80	365.28	7.81	-64.99
COC1=CC=CC([C@H](NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300012639808	0	55	0.0	-71.45	413.36	7.51	-63.94
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC(C)[NH+]2CCCCC2)C1	REAL300012639809	0	57	0.0	-73.32	412.80	9.94	-63.38
COC1=CC=CC(CC(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300012639810	0	58	0.0	-70.58	435.61	8.44	-62.14
CC(CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[NH+]1CCCCC1	REAL300012639811	0	60	0.0	-76.25	408.72	9.25	-67.00
CC(CCNC(=O)N1CC2CC1(C(=O)[O-])C2)[NH+]1CCCCC1	REAL300012639812	0	49	0.0	-76.84	353.48	8.68	-68.16
CC(CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639813	0	57	0.0	-66.74	426.02	9.87	-56.87
CC(CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)[NH+]1CCCCC1	REAL300012639814	0	56	0.0	-64.59	420.21	9.61	-54.98
COC1CN(C(=O)NCCC(C)[NH+]2CCCCC2)C(C)(C(=O)[O-])C1	REAL300012639815	0	55	0.0	-75.00	400.01	7.66	-67.34
CC(CCNC(=O)NC(CC1CCCOC1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639816	0	58	0.0	-67.17	414.90	7.65	-59.52
CC(CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]1CCCCC1	REAL300012639817	0	53	0.0	-67.93	376.91	7.25	-60.68
C=C(Cl)CC(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639818	0	48	0.0	-72.08	380.62	7.22	-64.86
C=C(C)CC(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639819	0	51	0.0	-71.41	384.93	7.35	-64.06
CC(CCNC(=O)N1C2CCC1(C(=O)[O-])CC2)[NH+]1CCCCC1	REAL300012639820	0	52	0.0	-85.47	371.84	9.51	-75.96
CC(CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639821	0	57	0.0	-67.30	415.70	9.42	-57.88
CC(CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012639822	0	48	0.0	-65.49	359.85	8.23	-57.26
CC(CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012639823	0	48	0.0	-76.27	357.43	7.87	-68.40
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC(C)[NH+]2CCCCC2)C1	REAL300012639824	0	49	0.0	-78.47	364.39	8.15	-70.32
CC(CCNC(=O)NC(CC1CCOCC1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639825	0	58	0.0	-69.82	419.19	6.95	-62.87
CC(C)C[C@H](NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639826	0	53	0.0	-68.39	386.29	7.46	-60.93
CC(CCNC(=O)NC(C(=O)[O-])C1CCOCC1)[NH+]1CCCCC1	REAL300012639827	0	55	0.0	-69.23	397.75	6.18	-63.05
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCCC1	REAL300012639828	0	51	0.0	-67.12	383.64	8.29	-58.83
CC(CCNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639829	0	51	0.0	-68.06	379.34	7.70	-60.36
CC(CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639830	0	50	0.0	-65.79	392.19	6.32	-59.47
CC(C)CCCC(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639831	0	59	0.0	-71.24	433.41	9.01	-62.23
CC(CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639832	0	57	0.0	-65.20	435.78	9.62	-55.58
CC(CCNC(=O)NC(CC1CCCO1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639833	0	55	0.0	-69.73	403.68	6.59	-63.14
CSCC(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639834	0	48	0.0	-68.15	374.14	6.61	-61.54
COC[C@H](NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639835	0	48	0.0	-69.26	359.11	4.38	-64.88
CC(CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639836	0	54	0.0	-65.72	412.86	9.21	-56.51
CCC(C)CC(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639837	0	56	0.0	-71.66	408.28	8.13	-63.53
C=CCCCC(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639838	0	54	0.0	-70.13	406.32	8.28	-61.85
CC(CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639839	0	54	0.0	-67.06	412.27	9.30	-57.76
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)[NH+]1CCCCC1	REAL300012639840	0	57	0.0	-72.89	425.31	10.34	-62.55
CC(CCNC(=O)N1CCSCC1C(=O)[O-])[NH+]1CCCCC1	REAL300012639841	0	49	0.0	-72.05	357.60	9.18	-62.87
CC(CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCCC1	REAL300012639842	0	54	0.0	-73.38	395.24	9.08	-64.30
CC(CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[NH+]1CCCCC1	REAL300012639843	0	52	0.0	-77.11	367.76	9.61	-67.50
CCN(C(=O)NCCC(C)[NH+]1CCCCC1)C(C)(C)C(=O)[O-]	REAL300012639844	0	53	0.0	-74.81	375.65	8.91	-65.90
CCCN(C(=O)NCCC(C)[NH+]1CCCCC1)C(C)C(=O)[O-]	REAL300012639845	0	53	0.0	-51.09	381.85	9.58	-41.51
CC(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]1CCCCC1	REAL300012639846	0	47	0.0	-67.13	363.90	8.49	-58.64
CC(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]1CCCCC1	REAL300012639847	0	47	0.0	-67.13	363.90	8.49	-58.64
CC(CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-])[NH+]1CCCCC1	REAL300012639848	0	60	0.0	-57.61	437.61	6.45	-51.16
CC(CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012639849	0	49	0.0	-79.65	362.18	4.41	-75.24
CC(CCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])[NH+]1CCCCC1	REAL300012639850	1	64	0.0	-53.58	453.98	6.07	-47.51
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC(C)[NH+]1CCCCC1	REAL300012639851	0	55	0.0	-53.56	402.58	10.97	-42.59
CC(CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012639852	0	58	0.0	-61.14	414.10	11.32	-49.82
CC(CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])[NH+]1CCCCC1	REAL300012639853	0	56	0.0	-69.03	404.02	9.33	-59.70
CC(CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCCC1	REAL300012639854	0	51	0.0	-67.37	383.95	8.27	-59.10
CC(CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639855	0	56	0.0	-73.57	427.39	8.25	-65.32
C=CCCC(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639856	0	51	0.0	-70.31	384.83	7.50	-62.81
CC(CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639857	0	50	0.0	-69.17	393.01	6.14	-63.03
CC(CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])[NH+]1CCCCC1	REAL300012639858	0	51	0.0	-64.91	412.20	7.96	-56.95
CC(CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[NH+]1CCCCC1	REAL300012639859	0	51	0.0	-81.28	377.29	5.54	-75.74
CC(CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[NH+]1CCCCC1	REAL300012639860	0	52	0.0	-66.86	374.89	7.29	-59.57
CC(CCNC(=O)N1CCC[C@]1(C)C(=O)[O-])[NH+]1CCCCC1	REAL300012639861	0	51	0.0	-73.14	363.60	8.59	-64.55
CC(CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCCC1	REAL300012639862	0	51	0.0	-68.87	384.15	8.19	-60.68
CC(CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639863	0	54	0.0	-68.42	393.34	7.54	-60.88
CC(CCNC(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCCCC1	REAL300012639864	0	54	0.0	-52.66	382.01	9.52	-43.14
CC[C@H](C)[C@H](NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639865	0	53	0.0	-69.05	378.97	7.10	-61.95
CC(CCNC(=O)NC1(C(=O)[O-])CC(CO)C1)[NH+]1CCCCC1	REAL300012639866	0	52	0.0	-76.28	379.39	4.03	-72.25
CC(CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[NH+]1CCCCC1	REAL300012639867	0	60	0.0	-69.82	430.64	7.46	-62.36
CC(CCNC(=O)NC1(C(=O)[O-])CCC(C)C1)[NH+]1CCCCC1	REAL300012639868	0	54	0.0	-68.83	383.80	7.87	-60.96
CC(CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[NH+]1CCCCC1	REAL300012639869	0	57	0.0	-69.21	391.66	8.49	-60.72
COCCC(NC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300012639870	0	51	0.0	-70.88	384.19	5.24	-65.64
CC(CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639871	0	57	0.0	-71.28	418.86	11.21	-60.07
CC(CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[NH+]1CCCCC1	REAL300012639872	0	54	0.0	-72.31	385.06	8.55	-63.76
CC(CCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)[NH+]1CCCCC1	REAL300012639873	0	61	0.0	-73.48	433.00	10.58	-62.90
CC(CCNC(=O)NC(C(=O)[O-])C1(C)CC1)[NH+]1CCCCC1	REAL300012639874	0	51	0.0	-67.33	369.18	7.48	-59.85
CC(CCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[NH+]1CCCCC1	REAL300012639875	0	60	0.0	-67.49	431.87	7.49	-60.00
CC(CCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012639876	0	49	0.0	-76.85	357.18	4.53	-72.32
CC(CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])[NH+]1CCCCC1	REAL300012639877	0	59	0.0	-59.76	426.36	11.77	-47.99
CC(CCNC(=O)NC(C(=O)[O-])C1CCOC1)[NH+]1CCCCC1	REAL300012639878	0	52	0.0	-66.99	374.83	5.11	-61.88
CC(CCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[NH+]1CCCCC1	REAL300012639879	0	52	0.0	-82.37	371.93	9.22	-73.15
CC(CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)[NH+]1CCCCC1	REAL300012639880	0	55	0.0	-74.28	415.56	8.35	-65.93
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CC(CCNC(=O)N1CC(C)CCC1C(=O)[O-])[NH+]1CCCCC1	REAL300012639882	0	54	0.0	-74.34	378.94	9.92	-64.42
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CC(CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[NH+]1CCCCC1	REAL300012639886	0	64	0.0	-67.40	441.13	8.91	-58.49
CC(CCNC(=O)NC(C(=O)[O-])C1CCCCC1)[NH+]1CCCCC1	REAL300012639887	0	57	0.0	-73.36	404.41	8.45	-64.91
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CC(CCNC(=O)NC(CC1CCCCO1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639890	0	58	0.0	-65.56	419.97	7.87	-57.69
CC(CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[NH+]1CCCCC1	REAL300012639891	0	58	0.0	-51.23	393.80	9.88	-41.35
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CC1=CC=CC2=C1CCN(C(=O)NCCC(C)[NH+]1CCCCC1)C2C(=O)[O-]	REAL300012639893	0	58	0.0	-60.61	416.56	11.18	-49.43
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CC(CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])[NH+]1CCCCC1	REAL300012639916	0	58	0.0	-50.34	408.69	10.02	-40.32
CC(CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012639917	0	58	0.0	-75.14	406.61	9.96	-65.18
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COC1(C(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])CCC1	REAL300012639922	0	55	0.0	-64.41	395.53	5.80	-58.61
CC(CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)[NH+]1CCCCC1	REAL300012639923	0	57	0.0	-69.29	409.65	9.19	-60.10
CC(CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)[NH+]1CCCCC1	REAL300012639924	0	58	0.0	-68.90	415.20	10.27	-58.63
CC(CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)[NH+]1CCCCC1	REAL300012639925	0	51	0.0	-67.30	382.81	7.76	-59.54
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[NH+]1CCCCC1	REAL300012639927	0	63	0.0	-67.05	460.20	10.61	-56.44
CC(C)C1=CC=C(C(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300012639928	0	60	0.0	-68.44	443.87	10.22	-58.22
CC(CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300012639929	0	48	0.0	-76.27	357.43	7.87	-68.40
CC(CCNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[NH+]1CCCCC1	REAL300012639930	0	50	0.0	-50.96	362.89	8.88	-42.08
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CCOC1=CC=C(C(NC(=O)NCCC(C)[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300012639932	0	58	0.0	-67.18	435.23	8.42	-58.76
CC(CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])[NH+]1CCCCC1	REAL300012639933	0	58	0.0	-74.00	403.36	10.89	-63.11
CC(CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)[NH+]1CCCCC1	REAL300012639934	0	58	0.0	-66.31	424.64	10.07	-56.24
CC(CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300012639935	0	58	0.0	-73.31	426.32	9.25	-64.06
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CCCN(C(=O)NCCN1CCC([NH+](C)C)CC1)C(COC)C(=O)[O-]	REAL300012640951	0	59	0.0	-73.85	425.52	6.03	-67.82
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C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012640959	0	53	0.0	-79.48	382.59	4.93	-74.55
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012640960	0	59	0.0	-79.93	402.76	6.69	-73.24
C[NH+](C)C1CCN(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012640961	0	56	0.0	-76.61	425.77	6.88	-69.73
C[NH+](C)C1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012640962	0	56	0.0	-66.79	424.50	8.62	-58.17
C[NH+](C)C1CCN(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012640963	0	53	0.0	-77.15	403.52	5.96	-71.19
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012640964	0	53	0.0	-77.48	403.76	5.88	-71.60
CCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012640965	0	49	0.0	-76.14	367.58	3.81	-72.33
CC(C)C(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012640966	0	52	0.0	-75.81	379.68	4.14	-71.67
C[NH+](C)C1CCN(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012640967	0	56	0.0	-76.61	425.77	6.88	-69.73
CCC(C)C(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012640968	0	55	0.0	-75.40	400.70	5.05	-70.35
C[NH+](C)C1CCN(CCNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012640969	0	53	0.0	-85.79	377.88	6.95	-78.84
CCCC(C)(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012640970	0	55	0.0	-76.04	393.22	4.94	-71.10
CC(C)N(CC(=O)[O-])C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012640971	0	52	0.0	-74.80	375.21	5.87	-68.93
C[NH+](C)C1CCN(CCNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012640972	0	50	0.0	-75.35	370.45	6.02	-69.33
C=CCN(CC(=O)[O-])C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012640973	0	50	0.0	-66.05	378.32	6.18	-59.87
CC(C)CN(CC(=O)[O-])C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012640974	0	55	0.0	-65.78	401.42	6.68	-59.10
C[NH+](C)C1CCN(CCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012640975	0	57	0.0	-85.62	415.83	8.99	-76.63
C[NH+](C)C1CCN(CCNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012640976	0	49	0.0	-64.79	358.33	3.18	-61.61
C[NH+](C)C1CCN(CCNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012640977	0	53	0.0	-78.45	381.21	4.93	-73.52
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012640978	0	50	0.0	-75.56	395.37	4.96	-70.60
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012640979	0	56	0.0	-79.41	397.10	6.02	-73.39
C[NH+](C)C1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012640980	0	56	0.0	-64.07	441.23	9.14	-54.93
CC(C)N(CC(=O)[O-])C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012640981	0	52	0.0	-74.80	375.21	5.87	-68.93
CCCN(CC(=O)[O-])C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012640982	0	52	0.0	-66.24	387.01	6.37	-59.87
CCN(CC(=O)[O-])C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012640983	0	49	0.0	-74.69	365.51	5.62	-69.07
CC[C@H](C)[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012640984	0	55	0.0	-77.22	398.83	4.77	-72.45
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012640985	0	53	0.0	-79.48	382.59	4.93	-74.55
C[NH+](C)C1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012640986	0	56	0.0	-64.17	430.91	8.69	-55.48
CCC(C)(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012640987	0	52	0.0	-75.71	371.72	4.18	-71.53
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012640988	0	57	0.0	-80.03	423.08	7.20	-72.83
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012640989	0	53	0.0	-76.69	414.35	6.10	-70.59
C[NH+](C)C1CCN(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012640990	0	56	0.0	-78.87	411.54	6.66	-72.21
CCN(CC(=O)[O-])C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012640991	0	49	0.0	-74.69	365.51	5.62	-69.07
CCCCCCC(C)(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012640992	0	64	0.0	-76.21	457.71	7.27	-68.94
CN(C(=O)NCCN1CCC([NH+](C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012640993	0	59	0.0	-73.66	434.58	8.74	-64.92
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012640994	0	53	0.0	-74.15	420.44	6.40	-67.75
C[NH+](C)C1CCN(CCNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012640995	0	51	0.0	-81.68	368.44	4.27	-77.41
CN(C(=O)NCCN1CCC([NH+](C)C)CC1)C1(C(=O)[O-])CCCCC1	REAL300012640996	0	59	0.0	-81.76	406.35	7.33	-74.43
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012640997	0	50	0.0	-76.90	377.33	4.35	-72.55
C[NH+](C)C1CCN(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012640998	0	59	0.0	-67.29	446.92	9.40	-57.89
CN(C(=O)NCCN1CCC([NH+](C)C)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012640999	0	56	0.0	-74.02	411.47	7.53	-66.49
COCCN(CC(=O)[O-])C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641000	0	53	0.0	-67.06	396.89	4.80	-62.26
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012641001	0	57	0.0	-82.97	418.65	6.99	-75.98
C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012641002	0	50	0.0	-82.11	365.99	5.24	-76.87
C[NH+](C)C1CCN(CCNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012641003	0	53	0.0	-84.60	377.13	6.70	-77.90
C[C@H](C(=O)[O-])N(C)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641004	0	49	0.0	-71.55	357.55	4.71	-66.84
C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012641005	0	50	0.0	-81.60	365.24	5.55	-76.05
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012641006	0	50	0.0	-80.35	368.71	4.53	-75.82
C=CCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641007	0	50	0.0	-75.70	380.89	4.26	-71.44
C[NH+](C)C1CCN(CCNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012641008	0	53	0.0	-81.39	383.47	6.27	-75.12
C[NH+](C)C1CCN(CCNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012641009	0	56	0.0	-82.94	391.65	7.66	-75.28
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012641010	0	50	0.0	-76.90	377.33	4.35	-72.55
CC(C(=O)[O-])N(C)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641011	0	49	0.0	-70.82	358.61	4.87	-65.95
CCCCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641012	0	55	0.0	-75.53	409.74	5.37	-70.16
C[NH+](C)C1CCN(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012641013	0	59	0.0	-67.29	446.92	9.40	-57.89
C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012641014	0	53	0.0	-82.29	383.44	6.26	-76.03
C[NH+](C)C1CCN(CCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012641015	0	56	0.0	-64.51	395.79	6.97	-57.54
COCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641016	0	50	0.0	-77.08	379.44	2.05	-75.03
CCCCCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641017	0	58	0.0	-75.18	432.08	6.14	-69.04
CCC1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)(C(=O)[O-])CC1	REAL300012641018	0	62	0.0	-79.30	436.17	7.27	-72.03
C[NH+](C)C1CCN(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012641019	0	57	0.0	-66.25	410.29	5.52	-60.73
CN(C(=O)NCCN1CCC([NH+](C)C)CC1)C1(C(=O)[O-])CCCC1	REAL300012641020	0	56	0.0	-82.84	393.03	6.62	-76.22
CC(C(=O)[O-])N(C(=O)NCCN1CCC([NH+](C)C)CC1)C1CC1	REAL300012641021	0	53	0.0	-71.25	376.38	5.91	-65.34
CCC(C(=O)[O-])N(C(=O)NCCN1CCC([NH+](C)C)CC1)C1CC1	REAL300012641022	0	56	0.0	-66.81	404.40	7.27	-59.54
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012641023	0	53	0.0	-78.09	415.28	6.37	-71.72
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012641024	0	53	0.0	-81.73	407.95	6.03	-75.70
C[NH+](C)C1CCN(CCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012641025	0	57	0.0	-68.03	418.65	8.31	-59.72
C[NH+](C)C1CCN(CCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012641026	0	56	0.0	-80.71	440.73	7.07	-73.64
C[NH+](C)C1CCN(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012641027	0	62	0.0	-76.58	447.67	7.07	-69.51
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641028	0	59	0.0	-65.55	436.69	9.25	-56.30
CC1=CC=C(C(NC(=O)NCCN2CCC([NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300012641029	0	56	0.0	-77.57	425.15	6.56	-71.01
C[NH+](C)C1CCN(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012641030	0	49	0.0	-70.69	383.51	4.50	-66.19
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012641031	0	59	0.0	-79.67	449.73	8.14	-71.53
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012641032	0	54	0.0	-76.25	394.77	5.71	-70.54
COCC(C)(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641033	0	53	0.0	-79.79	389.96	3.47	-76.32
CCOCC(C(=O)[O-])N(C)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641034	0	56	0.0	-72.57	409.96	5.12	-67.45
CC(C)CN(CC(=O)[O-])C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641035	0	55	0.0	-65.78	401.42	6.68	-59.10
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641036	0	62	0.0	-64.69	452.58	9.97	-54.72
C[NH+](C)C1CCN(CCNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012641037	0	50	0.0	-75.35	370.45	6.02	-69.33
C[NH+](C)C1CCN(CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012641038	0	52	0.0	-65.37	405.14	6.75	-58.62
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012641039	0	51	0.0	-76.08	373.23	2.31	-73.77
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012641040	0	59	0.0	-76.99	420.65	6.09	-70.90
CN(C(=O)NCCN1CCC([NH+](C)C)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012641041	0	60	0.0	-74.39	436.52	6.69	-67.70
C[NH+](C)C1CCN(CCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012641042	0	60	0.0	-85.24	441.65	9.98	-75.26
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012641043	0	54	0.0	-78.22	388.52	3.52	-74.70
C=CCCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641044	0	53	0.0	-75.29	401.06	5.14	-70.15
C[NH+](C)C1CCN(CCNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012641045	0	46	0.0	-64.62	349.68	2.78	-61.84
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641046	0	59	0.0	-61.92	434.63	9.61	-52.31
CC(C(=O)[O-])N(C)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641047	0	49	0.0	-70.82	358.61	4.87	-65.95
CCC(CC)(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641048	0	55	0.0	-76.94	388.11	5.07	-71.87
COC1=CC=C(C(NC(=O)NCCN2CCC([NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300012641049	0	57	0.0	-77.53	433.21	5.18	-72.35
CCC(C)N(CC(=O)[O-])C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641050	0	55	0.0	-65.82	396.24	6.95	-58.87
CCC(COC)(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641051	0	56	0.0	-81.14	406.40	4.38	-76.76
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641052	0	59	0.0	-73.89	429.44	5.95	-67.94
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012641053	0	56	0.0	-79.70	413.65	2.01	-77.69
C[NH+](C)C1CCN(CCNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012641054	0	53	0.0	-75.05	399.46	5.31	-69.74
COCCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641055	0	53	0.0	-76.09	401.25	2.88	-73.21
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641056	0	58	0.0	-73.90	416.82	7.23	-66.67
C[NH+](C)C1CCN(CCNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012641057	0	49	0.0	-70.84	377.95	4.39	-66.45
CCCC1(C(=O)[O-])CCCN1C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641058	0	59	0.0	-84.86	418.11	8.22	-76.64
CCCN(C(=O)NCCN1CCC([NH+](C)C)CC1)C(C)C(=O)[O-]	REAL300012641059	0	55	0.0	-71.57	397.25	6.46	-65.11
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641060	0	59	0.0	-62.96	435.21	9.73	-53.23
CCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012641061	0	59	0.0	-78.99	428.51	7.56	-71.43
COC1CCCC(C(NC(=O)NCCN2CCC([NH+](C)C)CC2)C(=O)[O-])C1	REAL300012641062	0	63	0.0	-81.13	453.77	5.01	-76.12
C[NH+](C)C1CCN(CCNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012641063	0	49	0.0	-74.50	374.17	3.95	-70.55
COC1(CC(NC(=O)NCCN2CCC([NH+](C)C)CC2)C(=O)[O-])CCC1	REAL300012641064	0	60	0.0	-75.72	437.93	4.92	-70.80
C[NH+](C)C1CCN(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012641065	0	57	0.0	-66.25	410.29	5.52	-60.73
C[NH+](C)C1CCN(CCNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012641066	0	59	0.0	-65.39	419.24	7.89	-57.50
C[C@H]1CC[C@@](NC(=O)NCCN2CCC([NH+](C)C)CC2)(C(=O)[O-])CC1	REAL300012641067	0	59	0.0	-79.97	409.79	6.23	-73.74
COC1=CC=CC(C(NC(=O)NCCN2CCC([NH+](C)C)CC2)C(=O)[O-])=C1	REAL300012641068	0	57	0.0	-79.37	433.02	5.25	-74.12
C[NH+](C)C1CCN(CCNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012641069	0	52	0.0	-72.62	378.31	4.32	-68.30
C[NH+](C)C1CCN(CCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012641070	0	54	0.0	-68.91	401.39	6.50	-62.41
C[NH+](C)C1CCN(CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012641071	0	50	0.0	-74.92	378.98	5.41	-69.51
COC1=CC=CC([C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C(=O)[O-])=C1	REAL300012641072	0	57	0.0	-79.83	432.65	5.20	-74.63
C[C@@H](C(=O)[O-])N(C)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641073	0	49	0.0	-71.37	358.10	4.76	-66.61
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCN2CCC([NH+](C)C)CC2)C1	REAL300012641074	0	59	0.0	-78.89	433.54	6.74	-72.15
COC1=CC=CC(CC(NC(=O)NCCN2CCC([NH+](C)C)CC2)C(=O)[O-])=C1	REAL300012641075	0	60	0.0	-77.19	455.22	6.18	-71.01
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012641076	0	62	0.0	-80.56	425.00	6.88	-73.68
C[NH+](C)C1CCN(CCNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012641077	0	51	0.0	-87.57	374.76	6.31	-81.26
COC1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)C(C)(C(=O)[O-])C1	REAL300012641078	0	57	0.0	-81.28	416.71	5.25	-76.03
C[NH+](C)C1CCN(CCNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012641079	0	60	0.0	-75.63	434.75	5.31	-70.32
C[NH+](C)C1CCN(CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012641080	0	55	0.0	-76.31	396.76	4.93	-71.38
C=C(Cl)CC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641081	0	50	0.0	-71.73	395.81	4.99	-66.74
C=C(C)CC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641082	0	53	0.0	-75.28	398.09	5.35	-69.93
C[NH+](C)C1CCN(CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012641083	0	54	0.0	-89.10	388.45	7.14	-81.96
C[NH+](C)C1CCN(CCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012641084	0	59	0.0	-75.64	435.54	7.08	-68.56
C[NH+](C)C1CCN(CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012641085	0	50	0.0	-73.54	378.23	5.72	-67.82
C[NH+](C)C1CCN(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012641086	0	50	0.0	-79.63	372.83	5.79	-73.84
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCN2CCC([NH+](C)C)CC2)C1	REAL300012641087	0	51	0.0	-80.74	379.41	5.65	-75.09
C[NH+](C)C1CCN(CCNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012641088	0	60	0.0	-75.70	434.59	5.34	-70.36
CC(C)C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641089	0	55	0.0	-76.28	406.04	5.17	-71.11
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012641090	0	57	0.0	-75.35	415.65	3.88	-71.47
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012641091	0	53	0.0	-77.48	403.76	5.88	-71.60
C[NH+](C)C1CCN(CCNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012641092	0	53	0.0	-75.05	399.46	5.31	-69.74
C[NH+](C)C1CCN(CCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012641093	0	52	0.0	-75.29	412.51	4.01	-71.28
CC(C)CCCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641094	0	61	0.0	-76.01	449.64	6.65	-69.36
C[NH+](C)C1CCN(CCNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012641095	0	57	0.0	-79.93	423.77	4.19	-75.74
CSCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641096	0	50	0.0	-73.14	391.04	4.22	-68.92
COC[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641097	0	50	0.0	-77.86	379.44	2.05	-75.81
CC[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641098	0	49	0.0	-75.69	366.75	3.82	-71.87
C[NH+](C)C1CCN(CCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012641099	0	56	0.0	-74.71	432.41	6.89	-67.82
CCC(C)CC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641100	0	58	0.0	-76.42	424.51	5.77	-70.65
C=CCCCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641101	0	56	0.0	-75.73	423.39	5.92	-69.81
C[NH+](C)C1CCN(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012641102	0	56	0.0	-75.35	432.37	6.89	-68.46
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012641103	0	59	0.0	-82.30	444.47	8.03	-74.27
C[NH+](C)C1CCN(CCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012641104	0	51	0.0	-81.78	377.24	6.73	-75.05
C[NH+](C)C1CCN(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012641105	0	56	0.0	-78.87	411.54	6.66	-72.21
C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012641106	0	50	0.0	-82.11	365.99	5.24	-76.87
CCCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641107	0	52	0.0	-74.96	388.84	4.63	-70.33
CC(C)[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641108	0	52	0.0	-76.08	378.59	3.96	-72.12
C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012641109	0	54	0.0	-87.71	387.81	7.29	-80.42
CCN(C(=O)NCCN1CCC([NH+](C)C)CC1)C(C)(C)C(=O)[O-]	REAL300012641110	0	55	0.0	-78.71	392.25	6.57	-72.14
CCCN(C(=O)NCCN1CCC([NH+](C)C)CC1)C(C)C(=O)[O-]	REAL300012641111	0	55	0.0	-71.57	397.25	6.46	-65.11
C[NH+](C)C1CCN(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012641112	0	49	0.0	-70.41	380.12	6.13	-64.28
C[NH+](C)C1CCN(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012641113	0	49	0.0	-70.41	380.12	6.13	-64.28
CN(C(=O)NCCN1CCC([NH+](C)C)CC1)C(C)(C)C(=O)[O-]	REAL300012641114	0	52	0.0	-78.88	372.72	5.71	-73.17
C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012641115	0	50	0.0	-81.60	365.24	5.55	-76.05
C[NH+](C)C1CCN(CCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012641116	0	62	0.0	-66.85	453.85	4.09	-62.76
C[NH+](C)C1CCN(CCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012641117	0	51	0.0	-83.29	378.35	2.03	-81.26
CN1CCN(CCN(CC(=O)[O-])C(=O)NCCN2CCC([NH+](C)C)CC2)CC1	REAL300012641118	1	66	0.0	-65.54	477.90	3.80	-61.74
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641119	0	57	0.0	-66.64	420.65	8.58	-58.06
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCN2CCC([NH+](C)C)CC2)[C@H]1C(=O)[O-]	REAL300012641120	0	60	0.0	-69.73	430.25	8.86	-60.87
CCC[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641121	0	52	0.0	-75.33	389.08	4.58	-70.75
C[NH+](C)C1CCN(CCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012641122	0	58	0.0	-75.02	423.53	7.04	-67.98
C[NH+](C)C1CCN(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012641123	0	53	0.0	-77.15	403.52	5.96	-71.19
C[NH+](C)C1CCN(CCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012641124	0	58	0.0	-77.19	443.03	5.85	-71.34
C=CCCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641125	0	53	0.0	-75.29	401.06	5.14	-70.15
C[NH+](C)C1CCN(CCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012641126	0	52	0.0	-77.69	412.28	3.88	-73.81
C[NH+](C)C1CCN(CCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012641127	0	53	0.0	-88.89	396.84	3.27	-85.62
CN1CC(C(=O)[O-])N(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1=O	REAL300012641128	0	54	0.0	-76.76	394.11	4.96	-71.80
C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012641129	0	53	0.0	-81.39	383.44	6.27	-75.12
CC(C)[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641130	0	52	0.0	-76.71	384.62	4.39	-72.32
C[NH+](C)C1CCN(CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012641131	0	53	0.0	-77.74	403.11	5.91	-71.83
C[NH+](C)C1CCN(CCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012641132	0	56	0.0	-78.36	417.56	5.25	-73.11
C[C@@H](C(=O)[O-])N(C)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641133	0	49	0.0	-71.37	358.10	4.76	-66.61
CCC[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641134	0	52	0.0	-75.62	388.25	4.58	-71.04
CCN(C(=O)NCCN1CCC([NH+](C)C)CC1)C(C)C(=O)[O-]	REAL300012641135	0	52	0.0	-71.17	375.29	5.65	-65.52
C[NH+](C)C1CCN(CCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012641136	0	56	0.0	-64.51	395.79	6.97	-57.54
CC(CN(C)C(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641137	0	52	0.0	-73.72	377.93	5.27	-68.45
CC[C@H](C)[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641138	0	55	0.0	-77.22	398.83	4.77	-72.45
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641139	0	52	0.0	-71.84	378.55	5.84	-66.00
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012641140	0	54	0.0	-86.04	399.35	1.69	-84.35
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641141	0	62	0.0	-79.17	451.05	5.12	-74.05
CC1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)(C(=O)[O-])C1	REAL300012641142	0	56	0.0	-79.69	403.65	5.54	-74.15
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012641143	0	59	0.0	-81.26	413.12	6.28	-74.98
COCCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641144	0	53	0.0	-76.09	401.25	2.88	-73.21
CN(C(=O)NCCN1CCC([NH+](C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012641145	0	59	0.0	-73.66	434.58	8.74	-64.92
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012641146	0	56	0.0	-80.87	405.14	6.23	-74.64
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012641147	0	53	0.0	-77.23	396.31	4.93	-72.30
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641148	0	62	0.0	-77.56	451.47	5.09	-72.47
C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012641149	0	51	0.0	-88.27	378.33	2.18	-86.09
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012641150	0	54	0.0	-73.90	400.30	2.95	-70.95
C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012641151	0	54	0.0	-84.43	386.97	6.70	-77.73
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012641152	0	57	0.0	-84.90	435.66	5.95	-78.95
C[NH+](C)C1CCN(CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012641153	0	52	0.0	-82.45	380.97	4.54	-77.91
CC1CCC(C(=O)[O-])N(C(=O)NCCN2CCC([NH+](C)C)CC2)C1	REAL300012641154	0	56	0.0	-85.33	398.70	7.60	-77.73
CC(C1=CC=CC=C1)C(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641155	0	59	0.0	-76.07	440.00	7.13	-68.94
C[NH+](C)C1CCN(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012641156	0	60	0.0	-75.21	435.82	7.62	-67.59
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012641157	0	53	0.0	-75.99	387.25	4.77	-71.22
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012641158	0	66	0.0	-78.93	460.84	6.57	-72.36
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012641159	0	59	0.0	-76.99	420.65	6.09	-70.90
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012641160	0	53	0.0	-75.99	387.25	4.77	-71.22
CC1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C1C(=O)[O-]	REAL300012641161	0	53	0.0	-82.49	382.52	5.88	-76.61
C=CCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641162	0	50	0.0	-75.70	380.89	4.26	-71.44
C[NH+](C)C1CCN(CCNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012641163	0	60	0.0	-75.15	439.57	5.60	-69.55
C[NH+](C)C1CCN(CCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012641164	0	60	0.0	-64.99	412.32	7.38	-57.61
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012641165	0	60	0.0	-78.90	417.62	4.83	-74.07
CC1=CC=CC2=C1CCN(C(=O)NCCN1CCC([NH+](C)C)CC1)C2C(=O)[O-]	REAL300012641166	0	60	0.0	-70.43	436.09	8.85	-61.58
C[NH+](C)C1CCN(CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012641167	0	54	0.0	-65.73	389.38	6.74	-58.99
C[NH+](C)C1CCN(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012641168	0	60	0.0	-75.21	435.82	7.62	-67.59
C[NH+](C)C1CCN(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012641169	0	56	0.0	-77.72	432.43	6.89	-70.83
COC1CC(NC(=O)NCCN2CCC([NH+](C)C)CC2)(C(=O)[O-])C1	REAL300012641170	0	54	0.0	-82.25	402.07	3.47	-78.78
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012641171	0	50	0.0	-78.00	377.14	4.55	-73.45
CO[C@H]1C[C@](NC(=O)NCCN2CCC([NH+](C)C)CC2)(C(=O)[O-])C1	REAL300012641172	0	54	0.0	-79.50	400.67	3.78	-75.72
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012641173	0	53	0.0	-70.84	408.07	5.31	-65.53
CCC1(C(=O)[O-])CCCN1C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641174	0	56	0.0	-82.29	399.24	7.41	-74.88
C[NH+](C)C1CCN(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012641175	0	49	0.0	-70.69	383.51	4.50	-66.19
C[NH+](C)C1CCN(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012641176	0	57	0.0	-77.00	421.15	3.89	-73.11
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012641177	0	48	0.0	-74.09	359.53	1.56	-72.53
C[NH+](C)C1CCN(CCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012641178	0	53	0.0	-76.68	417.05	5.89	-70.79
COCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012641179	0	60	0.0	-77.73	444.72	5.88	-71.85
CC(C)C(C)(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641180	0	55	0.0	-77.67	388.45	4.87	-72.80
C[NH+](C)C1CCN(CCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012641181	0	51	0.0	-84.39	371.19	6.70	-77.69
C[NH+](C)C1CCN(CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012641182	0	54	0.0	-83.40	389.64	6.50	-76.90
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641183	0	59	0.0	-62.96	435.21	9.73	-53.23
C[NH+](C)C1CCN(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012641184	0	62	0.0	-76.58	447.67	7.07	-69.51
C[NH+](C)C1CCN(CCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012641185	0	59	0.0	-76.68	448.16	7.61	-69.07
C[NH+](C)C1CCN(CCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012641186	0	59	0.0	-76.24	448.98	7.59	-68.65
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012641187	0	60	0.0	-77.81	430.29	6.65	-71.16
C[NH+](C)C1CCN(CCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012641188	0	62	0.0	-75.71	447.69	7.09	-68.62
C[NH+](C)C1CCN(CCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012641189	0	62	0.0	-76.58	447.67	7.07	-69.51
C[NH+](C)C1CCN(CCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012641190	0	60	0.0	-64.58	428.11	7.67	-56.91
C[NH+](C)C1CCN(CCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012641191	0	60	0.0	-83.70	422.98	7.32	-76.38
COC1=CC=C(CC(NC(=O)NCCN2CCC([NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300012641192	0	60	0.0	-77.64	455.51	6.12	-71.52
C=CCSCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641193	0	54	0.0	-73.68	424.65	5.70	-67.98
C[NH+](C)C1CCN(CCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012641194	0	57	0.0	-75.28	446.60	7.28	-68.00
CCC(C(=O)[O-])N(CC)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641195	0	55	0.0	-71.77	392.29	6.61	-65.16
COC1(C(NC(=O)NCCN2CCC([NH+](C)C)CC2)C(=O)[O-])CCC1	REAL300012641196	0	57	0.0	-73.85	414.52	3.44	-70.41
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012641197	0	59	0.0	-79.41	429.51	6.85	-72.56
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012641198	0	60	0.0	-80.68	435.02	7.94	-72.74
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012641199	0	53	0.0	-79.28	399.08	5.25	-74.03
CC(C)C1=CC=C(C(NC(=O)NCCN2CCC([NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300012641201	0	62	0.0	-76.71	463.72	7.89	-68.82
C[NH+](C)C1CCN(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012641202	0	50	0.0	-79.63	372.83	5.79	-73.84
C[NH+](C)C1CCN(CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012641203	0	52	0.0	-66.07	382.35	6.54	-59.53
C[NH+](C)C1CCN(CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012641204	0	56	0.0	-83.52	398.67	6.67	-76.85
CCOC1=CC=C(C(NC(=O)NCCN2CCC([NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300012641205	0	60	0.0	-76.47	454.84	6.17	-70.30
C[NH+](C)C1CCN(CCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012641206	0	60	0.0	-84.50	421.37	8.36	-76.14
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012641207	0	60	0.0	-76.26	443.44	8.35	-67.91
C[NH+](C)C1CCN(CCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012641208	0	60	0.0	-82.43	446.17	6.93	-75.50
C[NH+](C)C1CCN(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012641209	0	56	0.0	-79.08	439.12	6.82	-72.26
CC(C)CCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641210	0	58	0.0	-75.06	427.91	5.93	-69.13
C[NH+](C)C1CCN(CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012641211	0	57	0.0	-64.75	413.24	7.21	-57.54
C[NH+](C)C1CCN(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012641212	0	57	0.0	-77.00	421.15	3.89	-73.11
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCN2CCC([NH+](C)C)CC2)C1	REAL300012641213	0	54	0.0	-79.88	409.43	6.88	-73.00
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012641214	0	57	0.0	-82.52	402.93	6.67	-75.85
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012641215	0	54	0.0	-81.97	390.08	5.75	-76.22
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012641216	0	57	0.0	-81.04	417.43	6.38	-74.66
CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012641217	0	59	0.0	-74.43	436.62	8.78	-65.65
C[NH+](C)C1CCN(CCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012641218	0	63	0.0	-64.70	442.30	8.18	-56.52
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012641219	0	56	0.0	-76.33	409.37	5.53	-70.80
CO[C@H](C)[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641220	0	53	0.0	-77.60	397.59	3.05	-74.55
CC1[C@@H](C)[C@@]1(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641221	0	53	0.0	-78.26	380.62	4.88	-73.38
C[NH+](C)C1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012641222	0	56	0.0	-66.79	424.50	8.62	-58.17
C[NH+](C)C1CCN(CCNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012641223	0	56	0.0	-64.87	406.20	6.51	-58.36
C[NH+](C)C1CCN(CCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012641224	0	53	0.0	-81.39	388.51	6.82	-74.57
C[NH+](C)C1CCN(CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012641225	0	50	0.0	-84.09	378.90	5.54	-78.55
C[NH+](C)C1CCN(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012641226	0	56	0.0	-77.72	432.43	6.89	-70.83
C[NH+](C)C1CCN(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012641227	0	53	0.0	-76.54	416.83	5.74	-70.80
C[NH+](C)C1CCN(CCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012641228	0	53	0.0	-74.71	395.53	6.39	-68.32
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012641229	0	57	0.0	-80.05	430.76	6.55	-73.50
C[NH+](C)C1CCN(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012641230	0	53	0.0	-76.54	416.83	5.74	-70.80
C[NH+](C)C1CCN(CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012641231	0	57	0.0	-84.09	404.12	6.71	-77.38
COCCCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641232	0	56	0.0	-75.27	421.92	3.66	-71.61
CCCC(C(=O)[O-])N(C)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641233	0	55	0.0	-71.31	400.05	6.61	-64.70
CCOCC(NC(=O)NCCN1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300012641234	0	53	0.0	-78.09	400.81	3.01	-75.08
C[NH+](C)C1CCN(CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012641235	0	58	0.0	-75.91	418.42	6.20	-69.71
C[NH+](C)C1CCN(CCNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012641236	0	57	0.0	-77.99	419.18	4.39	-73.60
C[NH+](C)C1CCN(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012641237	0	57	0.0	-80.03	423.08	7.20	-72.83
C[C@H]1OCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)[C@@H]1C(=O)[O-]	REAL300012641238	0	54	0.0	-81.32	387.24	4.87	-76.45
C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012641239	0	56	0.0	-75.33	408.03	6.52	-68.81
C[NH+](C)C1CCN(CCNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012641240	0	50	0.0	-76.26	387.61	4.33	-71.93
C[NH+](C)C1CCN(CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012641241	0	53	0.0	-67.56	406.17	6.76	-60.80
C[NH+](C)C1CCN(CCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012641242	0	64	0.0	-83.52	439.83	7.25	-76.27
C[NH+](C)C1CCN(CCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012641243	0	55	0.0	-72.60	437.51	5.51	-67.09
C[C@H](C(=O)[O-])N(C)C(=O)NCCN1CCC([NH+](C)C)CC1	REAL300012641244	0	49	0.0	-71.55	357.55	4.71	-66.84
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCN2CCC([NH+](C)C)CC2)C1	REAL300012641245	0	57	0.0	-81.98	420.36	5.51	-76.47
CC(C)C[C@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641546	0	54	0.0	-72.36	415.00	9.18	-63.18
CC(C)C[C@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641546	1	54	0.0	-71.61	409.61	8.85	-62.76
C=CCOCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641547	0	53	0.0	-72.32	417.42	7.35	-64.97
C=CCOCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641547	1	53	0.0	-73.64	424.76	7.75	-65.89
C=CC(C)C(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641548	0	52	0.0	-72.88	403.14	8.80	-64.08
C=CC(C)C(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641548	1	52	0.0	-72.28	395.82	8.42	-63.86
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641549	0	56	0.0	-70.54	418.05	7.52	-63.02
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641549	1	56	0.0	-75.83	423.12	7.77	-68.06
COC1CCN(C(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012641550	0	56	0.0	-78.10	418.11	9.70	-68.40
COC1CCN(C(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012641550	1	56	0.0	-83.29	411.85	9.82	-73.47
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641551	0	56	0.0	-70.06	414.83	7.41	-62.65
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641551	1	56	0.0	-69.72	421.15	7.67	-62.05
CC1CC(NC(=O)N2CCC(C)CC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641552	0	55	0.0	-81.06	401.45	10.99	-70.07
CC1CC(NC(=O)N2CCC(C)CC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641552	1	55	0.0	-78.98	400.46	11.34	-67.64
CC1=CC(C(NC(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=CC=C1F	REAL300012641553	0	55	0.0	-70.64	434.01	10.27	-60.37
CC1=CC(C(NC(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=CC=C1F	REAL300012641553	1	55	0.0	-70.26	433.68	10.36	-59.90
CC1=CC(C)=CC(C(NC(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012641554	0	58	0.0	-73.12	449.78	10.98	-62.14
CC1=CC(C)=CC(C(NC(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012641554	1	58	0.0	-73.94	449.76	10.99	-62.95
CC1=CC=C(C(NC(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300012641555	0	58	0.0	-73.75	445.08	10.79	-62.96
CC1=CC=C(C(NC(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300012641555	1	58	0.0	-73.95	445.35	10.87	-63.08
CC1=CC=CC(C(NC(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1C	REAL300012641556	0	58	0.0	-71.94	442.34	10.95	-60.99
CC1=CC=CC(C(NC(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1C	REAL300012641556	1	58	0.0	-73.79	444.01	10.91	-62.88
CCCN(CC(=O)[O-])C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641557	0	51	0.0	-58.55	396.59	10.36	-48.19
CCCN(CC(=O)[O-])C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641557	1	51	0.0	-56.49	398.70	10.52	-45.97
CC(C(=O)[O-])N(C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012641558	0	55	0.0	-50.03	404.51	11.41	-38.62
CC(C(=O)[O-])N(C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012641558	1	55	0.0	-60.42	402.83	10.34	-50.08
CCCN(C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(COC)C(=O)[O-]	REAL300012641559	0	58	0.0	-74.62	440.36	11.47	-63.15
CCCN(C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(COC)C(=O)[O-]	REAL300012641559	1	58	0.0	-70.63	429.24	9.80	-60.83
CCCN(C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012641560	0	57	0.0	-48.91	421.33	12.20	-36.71
CCCN(C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012641560	1	57	0.0	-49.79	415.89	11.99	-37.80
CC(C)C(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641561	0	51	0.0	-73.19	391.32	8.30	-64.89
CC(C)C(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641561	1	51	0.0	-71.62	383.64	7.84	-63.78
CC1CC(NC(=O)N2CCCCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641562	0	52	0.0	-80.68	380.97	10.41	-70.27
CC1CC(NC(=O)N2CCCCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641562	1	52	0.0	-80.61	380.83	10.40	-70.21
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641563	0	50	0.0	-78.38	380.79	10.54	-67.84
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641563	1	50	0.0	-79.73	387.36	10.91	-68.82
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641564	0	55	0.0	-74.10	400.46	9.71	-64.39
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641564	1	55	0.0	-74.47	406.68	10.00	-64.47
CC1CC(NC(=O)N2CCCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641565	0	49	0.0	-78.98	372.10	9.02	-69.96
CC1CC(NC(=O)N2CCCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641565	1	49	0.0	-76.13	375.81	9.35	-66.78
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641566	0	52	0.0	-74.46	386.10	8.62	-65.84
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641566	1	52	0.0	-74.49	392.17	8.90	-65.59
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641567	0	58	0.0	-74.15	410.18	10.27	-63.88
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641567	1	58	0.0	-77.53	406.76	10.07	-67.46
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641568	0	55	0.0	-73.56	429.34	10.52	-63.04
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641568	1	55	0.0	-72.77	429.39	10.52	-62.25
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641569	0	55	0.0	-58.23	427.81	12.32	-45.91
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641569	1	55	0.0	-56.94	433.03	12.66	-44.28
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641570	0	52	0.0	-72.89	407.12	9.58	-63.31
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641570	1	52	0.0	-72.83	414.59	10.12	-62.71
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641571	0	52	0.0	-71.76	406.55	9.60	-62.16
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641571	1	52	0.0	-72.37	407.15	9.58	-62.79
CCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641572	0	48	0.0	-70.43	370.18	7.52	-62.91
CCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641572	1	48	0.0	-71.39	370.78	7.57	-63.82
CC(C)C(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641573	0	51	0.0	-73.19	391.32	8.30	-64.89
CC(C)C(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641573	1	51	0.0	-71.62	383.64	7.84	-63.78
CC1CC(NC(=O)N(C)CC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641574	0	45	0.0	-71.71	346.80	8.33	-63.38
CC1CC(NC(=O)N(C)CC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641574	1	45	0.0	-72.69	352.98	8.65	-64.04
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641575	0	55	0.0	-73.56	429.34	10.52	-63.04
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641575	1	55	0.0	-72.77	429.39	10.52	-62.25
CC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641576	0	45	0.0	-62.33	349.07	6.50	-55.83
CC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641576	1	45	0.0	-63.09	348.95	6.52	-56.57
CCC(C)C(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641577	0	54	0.0	-72.22	408.57	9.00	-63.22
CCC(C)C(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641577	1	54	0.0	-72.30	406.00	8.71	-63.59
CC1CC(NC(=O)N(C)CC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641578	0	45	0.0	-71.71	346.80	8.33	-63.38
CC1CC(NC(=O)N(C)CC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641578	1	45	0.0	-72.69	352.98	8.65	-64.04
CC1CC(NC(=O)N2CCCCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641579	0	52	0.0	-80.68	380.97	10.41	-70.27
CC1CC(NC(=O)N2CCCCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641579	1	52	0.0	-80.61	380.83	10.40	-70.21
CCCC(C)(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641580	0	54	0.0	-72.08	404.28	9.09	-62.99
CCCC(C)(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641580	1	54	0.0	-70.85	396.58	8.63	-62.22
CC(C)N(CC(=O)[O-])C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641581	0	51	0.0	-58.27	388.41	10.18	-48.09
CC(C)N(CC(=O)[O-])C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641581	1	51	0.0	-58.30	379.12	9.58	-48.72
CC1CC(NC(=O)N(CC(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641582	0	49	0.0	-74.10	369.82	9.61	-64.49
CC1CC(NC(=O)N(CC(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641582	1	49	0.0	-74.75	380.48	10.00	-64.75
C=CCN(CC(=O)[O-])C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641583	0	49	0.0	-57.31	386.92	10.21	-47.10
C=CCN(CC(=O)[O-])C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641583	1	49	0.0	-57.97	381.64	9.87	-48.10
CC(C)CN(CC(=O)[O-])C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641584	0	54	0.0	-58.42	411.25	10.88	-47.54
CC(C)CN(CC(=O)[O-])C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641584	1	54	0.0	-57.45	410.27	10.93	-46.52
CC1CC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641585	0	56	0.0	-81.32	418.76	12.55	-68.77
CC1CC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641585	1	56	0.0	-78.26	423.93	12.88	-65.38
CC1CC(NC(=O)NC(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641586	0	48	0.0	-62.15	361.69	6.89	-55.26
CC1CC(NC(=O)NC(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641586	1	48	0.0	-61.44	366.90	7.22	-54.22
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641587	0	52	0.0	-71.20	384.53	8.63	-62.57
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641587	1	52	0.0	-72.65	390.72	8.95	-63.70
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641588	0	49	0.0	-69.99	403.96	9.01	-60.98
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C[N@H+]1CC1=CC=CC=C1	REAL300012641588	1	49	0.0	-71.27	404.35	8.99	-62.28
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641589	0	55	0.0	-74.10	400.46	9.71	-64.39
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641589	1	55	0.0	-74.47	406.68	10.00	-64.47
CC(C)N(CC(=O)[O-])C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641590	0	51	0.0	-58.27	388.41	10.18	-48.09
CC(C)N(CC(=O)[O-])C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641590	1	51	0.0	-58.30	379.12	9.58	-48.72
CCCN(CC(=O)[O-])C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641591	0	51	0.0	-58.55	396.59	10.36	-48.19
CCCN(CC(=O)[O-])C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641591	1	51	0.0	-56.49	398.70	10.52	-45.97
CCN(CC(=O)[O-])C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641592	0	48	0.0	-70.04	374.04	9.65	-60.39
CCN(CC(=O)[O-])C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641592	1	48	0.0	-72.70	377.18	9.77	-62.93
CC[C@H](C)[C@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641593	0	54	0.0	-72.37	408.24	8.90	-63.47
CC[C@H](C)[C@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641593	1	54	0.0	-71.45	408.84	8.90	-62.55
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641594	0	52	0.0	-74.46	386.10	8.62	-65.84
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641594	1	52	0.0	-74.49	392.17	8.90	-65.59
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641595	0	55	0.0	-55.64	439.51	12.72	-42.92
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641595	1	55	0.0	-56.49	440.50	12.68	-43.81
CCC(C)(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641596	0	51	0.0	-71.09	382.78	8.33	-62.76
CCC(C)(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641596	1	51	0.0	-70.12	375.09	7.87	-62.25
CC1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641597	0	56	0.0	-74.40	426.58	10.83	-63.57
CC1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641597	1	56	0.0	-73.27	431.67	11.22	-62.05
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641598	0	55	0.0	-71.24	420.14	10.69	-60.55
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641598	1	55	0.0	-73.84	414.99	10.36	-63.48
C[C@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641599	0	45	0.0	-63.76	356.66	6.97	-56.79
C[C@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641599	1	45	0.0	-63.29	349.30	6.47	-56.82
CCN(CC(=O)[O-])C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641600	0	48	0.0	-70.04	374.04	9.65	-60.39
CCN(CC(=O)[O-])C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641600	1	48	0.0	-72.70	377.18	9.77	-62.93
CCCCCCC(C)(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641601	0	63	0.0	-72.25	468.77	11.42	-60.83
CCCCCCC(C)(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641601	1	63	0.0	-70.42	461.08	10.96	-59.46
CC1CC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641602	0	58	0.0	-72.47	439.90	12.57	-59.90
CC1CC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641602	1	58	0.0	-74.48	440.01	12.47	-62.01
C[C@@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641603	0	45	0.0	-62.59	354.27	6.82	-55.77
C[C@@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641603	1	45	0.0	-63.97	349.43	6.46	-57.51
CC1CC(NC(=O)NC2(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641604	0	46	0.0	-75.86	355.27	7.70	-68.16
CC1CC(NC(=O)NC2(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641604	1	46	0.0	-74.70	360.48	8.02	-66.68
CC1CC(NC(=O)N2CCOCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641605	0	50	0.0	-76.65	371.70	8.01	-68.64
CC1CC(NC(=O)N2CCOCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641605	1	50	0.0	-79.06	371.97	7.98	-71.08
CC1CC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641606	0	58	0.0	-75.93	409.72	11.03	-64.90
CC1CC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641606	1	58	0.0	-76.38	409.79	11.02	-65.36
CC1CC(NC(=O)NC(C(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641607	0	49	0.0	-71.80	380.70	8.05	-63.75
CC1CC(NC(=O)NC(C(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641607	1	49	0.0	-72.01	381.37	8.31	-63.70
CC1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641608	0	58	0.0	-58.56	455.50	13.43	-45.13
CC1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641608	1	58	0.0	-58.08	455.43	13.43	-44.65
CC1CC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641609	0	55	0.0	-69.75	414.75	11.21	-58.54
CC1CC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641609	1	55	0.0	-70.67	414.91	11.22	-59.45
COCCN(CC(=O)[O-])C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641610	0	52	0.0	-59.27	406.47	8.79	-50.48
COCCN(CC(=O)[O-])C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641610	1	52	0.0	-58.34	405.48	8.83	-49.51
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C[N@@H+]1CC1=CC=CC=C1	REAL300012641611	0	56	0.0	-75.40	421.79	10.64	-64.76
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C[N@H+]1CC1=CC=CC=C1	REAL300012641611	1	56	0.0	-77.24	421.77	10.64	-66.60
CC1CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641612	0	49	0.0	-79.18	372.00	9.03	-70.15
CC1CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641612	1	49	0.0	-80.75	372.05	8.99	-71.76
CC1CC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641613	0	52	0.0	-77.40	385.62	10.72	-66.68
CC1CC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641613	1	52	0.0	-78.96	380.33	10.39	-68.57
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641614	0	48	0.0	-68.37	369.17	8.92	-59.45
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641614	1	48	0.0	-69.25	360.92	8.41	-60.84
CC1CC(NC(=O)N2CCC[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641615	0	49	0.0	-76.25	375.73	9.34	-66.91
CC1CC(NC(=O)N2CCC[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641615	1	49	0.0	-76.16	375.78	9.35	-66.81
CC1CC(NC(=O)NC2(C(=O)[O-])CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641616	0	49	0.0	-75.62	371.81	8.23	-67.39
CC1CC(NC(=O)NC2(C(=O)[O-])CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641616	1	49	0.0	-74.18	377.31	8.54	-65.64
C=CCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641617	0	49	0.0	-71.64	384.29	7.96	-63.68
C=CCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641617	1	49	0.0	-71.85	391.91	8.44	-63.41
CC1CC(NC(=O)N2CCCC2(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641618	0	52	0.0	-77.06	386.77	9.97	-67.09
CC1CC(NC(=O)N2CCCC2(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641618	1	52	0.0	-77.11	392.99	10.27	-66.84
CC1CC(NC(=O)N2CCCCCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641619	0	55	0.0	-79.02	393.91	10.94	-68.08
CC1CC(NC(=O)N2CCCCCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641619	1	55	0.0	-77.23	397.36	11.41	-65.82
CC1CC(NC(=O)NC(C(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641620	0	49	0.0	-71.80	380.70	8.05	-63.75
CC1CC(NC(=O)NC(C(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641620	1	49	0.0	-72.01	381.37	8.31	-63.70
CC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641621	0	48	0.0	-69.99	360.99	8.41	-61.58
CC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641621	1	48	0.0	-68.20	361.04	8.57	-59.63
CCCCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641622	0	54	0.0	-72.06	421.63	9.53	-62.53
CCCCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641622	1	54	0.0	-71.34	413.77	9.11	-62.23
CC1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641623	0	58	0.0	-58.56	455.50	13.43	-45.13
CC1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641623	1	58	0.0	-58.08	455.43	13.43	-44.65
CC1CC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641624	0	52	0.0	-75.46	391.98	10.32	-65.14
CC1CC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641624	1	52	0.0	-77.23	386.87	9.98	-67.25
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641625	0	55	0.0	-56.37	405.22	10.89	-45.48
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641625	1	55	0.0	-56.11	410.39	11.22	-44.89
COCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641626	0	49	0.0	-73.58	390.00	6.20	-67.38
COCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641626	1	49	0.0	-72.93	382.74	5.79	-67.14
CCCCCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641627	0	57	0.0	-72.36	435.27	9.90	-62.46
CCCCCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641627	1	57	0.0	-71.19	435.51	9.83	-61.36
CCC1CCC(NC(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300012641628	0	61	0.0	-74.41	439.60	10.96	-63.45
CCC1CCC(NC(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300012641628	1	61	0.0	-74.05	439.53	10.96	-63.09
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641629	0	56	0.0	-56.00	422.05	9.67	-46.33
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641629	1	56	0.0	-57.43	421.38	9.69	-47.74
CC1CC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641630	0	55	0.0	-76.44	399.62	10.10	-66.34
CC1CC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641630	1	55	0.0	-77.42	396.43	10.35	-67.07
CC(C(=O)[O-])N(C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012641631	0	52	0.0	-57.89	394.66	10.42	-47.47
CC(C(=O)[O-])N(C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012641631	1	52	0.0	-61.33	387.41	10.04	-51.29
CCC(C(=O)[O-])N(C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012641632	0	55	0.0	-58.93	407.95	10.99	-47.94
CCC(C(=O)[O-])N(C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012641632	1	55	0.0	-61.37	407.98	11.09	-50.28
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C[N@@H+]1CC1=CC=CC=C1	REAL300012641633	0	52	0.0	-76.15	415.93	10.01	-66.14
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C[N@H+]1CC1=CC=CC=C1	REAL300012641633	1	52	0.0	-78.41	416.91	9.96	-68.45
CC1CC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641634	0	56	0.0	-59.84	422.53	11.91	-47.93
CC1CC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641634	1	56	0.0	-61.28	427.75	12.24	-49.04
CC1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641635	0	61	0.0	-71.13	450.51	10.72	-60.41
CC1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641635	1	61	0.0	-70.99	450.52	10.72	-60.27
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641636	0	58	0.0	-57.00	443.64	13.40	-43.60
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641636	1	58	0.0	-57.51	435.79	12.99	-44.52
CC1=CC=C(C(NC(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300012641637	0	55	0.0	-71.79	427.96	10.28	-61.51
CC1=CC=C(C(NC(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300012641637	1	55	0.0	-73.16	428.37	10.34	-62.82
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641638	0	48	0.0	-65.75	386.71	8.28	-57.47
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641638	1	48	0.0	-67.17	394.56	8.67	-58.50
CC1CC(NC(=O)NC2(C(=O)[O-])CCSCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641639	0	53	0.0	-71.58	405.20	9.88	-61.70
CC1CC(NC(=O)NC2(C(=O)[O-])CCSCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641639	1	53	0.0	-70.98	404.37	9.69	-61.29
COCC(C)(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641640	0	52	0.0	-74.93	393.41	7.15	-67.78
COCC(C)(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641640	1	52	0.0	-76.61	393.51	7.14	-69.47
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641641	0	55	0.0	-68.82	413.39	8.81	-60.01
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641641	1	55	0.0	-70.97	412.77	8.87	-62.10
CC(C)CN(CC(=O)[O-])C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641642	0	54	0.0	-58.42	411.25	10.88	-47.54
CC(C)CN(CC(=O)[O-])C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641642	1	54	0.0	-57.45	410.27	10.93	-46.52
CC1CC(NC(=O)N(CC(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641643	0	49	0.0	-74.10	369.82	9.61	-64.49
CC1CC(NC(=O)N(CC(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641643	1	49	0.0	-74.75	380.48	10.00	-64.75
CC1CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641644	0	51	0.0	-56.79	416.83	10.90	-45.89
CC1CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641644	1	51	0.0	-58.84	414.73	10.74	-48.10
CC1CC(NC(=O)NC2(C(=O)[O-])CCOC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641645	0	50	0.0	-71.72	376.83	5.94	-65.78
CC1CC(NC(=O)NC2(C(=O)[O-])CCOC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641645	1	50	0.0	-70.94	382.88	6.35	-64.59
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641646	0	58	0.0	-72.93	424.02	9.80	-63.13
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641646	1	58	0.0	-73.23	431.69	10.26	-62.97
CC1CC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641647	0	59	0.0	-70.17	440.79	10.36	-59.81
CC1CC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641647	1	59	0.0	-70.62	440.53	10.21	-60.41
CC1CC(NC(=O)NC2(C(=O)[O-])CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641648	0	53	0.0	-74.64	398.95	7.69	-66.95
CC1CC(NC(=O)NC2(C(=O)[O-])CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641648	1	53	0.0	-76.08	391.97	7.20	-68.88
C=CCCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641649	0	52	0.0	-70.98	405.33	8.83	-62.15
C=CCCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641649	1	52	0.0	-71.40	412.70	9.36	-62.04
CC1CC(NC(=O)NC(CF)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641650	0	45	0.0	-61.36	353.12	6.48	-54.88
CC1CC(NC(=O)NC(CF)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641650	1	45	0.0	-59.98	352.62	6.52	-53.46
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641651	0	58	0.0	-49.60	443.62	13.67	-35.93
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641651	1	58	0.0	-50.86	439.56	13.32	-37.54
CC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641652	0	48	0.0	-69.99	360.99	8.41	-61.58
CC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641652	1	48	0.0	-68.20	361.04	8.57	-59.63
CCC(CC)(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641653	0	54	0.0	-73.03	399.47	9.21	-63.82
CCC(CC)(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641653	1	54	0.0	-71.85	391.47	8.76	-63.09
COC1=CC=C(C(NC(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300012641654	0	56	0.0	-72.32	436.64	8.87	-63.45
COC1=CC=C(C(NC(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300012641654	1	56	0.0	-71.73	436.04	8.90	-62.83
CCC(C)N(CC(=O)[O-])C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641655	0	54	0.0	-57.63	405.78	10.97	-46.66
CCC(C)N(CC(=O)[O-])C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641655	1	54	0.0	-56.60	399.60	10.65	-45.95
CCC(COC)(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641656	0	55	0.0	-77.03	417.45	8.53	-68.50
CCC(COC)(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641656	1	55	0.0	-76.85	418.34	8.52	-68.33
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641657	0	58	0.0	-69.31	433.66	9.57	-59.74
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641657	1	58	0.0	-71.01	433.05	9.63	-61.38
CC1CC(NC(=O)NC(CC2CC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641658	0	52	0.0	-70.64	402.32	9.13	-61.51
CC1CC(NC(=O)NC(CC2CC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641658	1	52	0.0	-71.96	407.95	9.36	-62.60
COCCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641659	0	52	0.0	-72.31	412.30	7.04	-65.27
COCCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641659	1	52	0.0	-70.96	403.86	6.58	-64.38
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641660	0	57	0.0	-69.12	421.20	10.97	-58.15
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641660	1	57	0.0	-70.90	419.47	10.83	-60.07
CC1CC(NC(=O)NC(CC(F)F)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641661	0	48	0.0	-66.86	381.63	8.03	-58.83
CC1CC(NC(=O)NC(CC(F)F)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641661	1	48	0.0	-67.48	389.25	8.50	-58.98
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641662	0	58	0.0	-77.80	430.29	12.21	-65.59
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641662	1	58	0.0	-77.14	424.19	11.88	-65.26
CCCN(C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012641663	0	54	0.0	-69.03	407.68	10.49	-58.54
CCCN(C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012641663	1	54	0.0	-50.61	401.05	10.96	-39.65
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641664	0	58	0.0	-48.18	444.28	13.73	-34.45
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641664	1	58	0.0	-51.37	437.21	13.29	-38.08
CCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012641665	0	58	0.0	-74.08	439.56	11.71	-62.37
CCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012641665	1	58	0.0	-73.43	431.91	11.25	-62.18
CC1CC(NC(=O)NC(CCF)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641666	0	48	0.0	-70.93	377.54	7.65	-63.28
CC1CC(NC(=O)NC(CCF)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641666	1	48	0.0	-71.15	385.22	8.12	-63.03
COC1(CC(NC(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300012641667	0	59	0.0	-73.05	448.67	8.88	-64.17
COC1(CC(NC(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300012641667	1	59	0.0	-71.79	447.66	8.93	-62.86
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641668	0	56	0.0	-56.00	422.05	9.67	-46.33
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641668	1	56	0.0	-57.43	421.38	9.69	-47.74
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641669	0	58	0.0	-56.79	422.62	11.59	-45.20
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641669	1	58	0.0	-56.50	427.79	11.93	-44.57
CC1CC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641670	0	58	0.0	-74.51	414.49	10.08	-64.43
CC1CC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641670	1	58	0.0	-76.10	420.37	10.39	-65.71
COC1=CC=CC(C(NC(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012641671	0	56	0.0	-75.66	444.32	9.34	-66.32
COC1=CC=CC(C(NC(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012641671	1	56	0.0	-74.91	444.31	9.36	-65.55
CC1CC(NC(=O)NC(C)(CCF)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641672	0	51	0.0	-69.28	381.86	7.99	-61.29
CC1CC(NC(=O)NC(C)(CCF)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641672	1	51	0.0	-69.19	389.37	8.47	-60.72
CC1CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641673	0	53	0.0	-60.48	403.96	10.06	-50.42
CC1CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641673	1	53	0.0	-61.54	411.05	10.52	-51.02
CC1CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641674	0	49	0.0	-71.08	390.11	9.50	-61.58
CC1CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641674	1	49	0.0	-73.02	391.08	9.49	-63.53
COC1=CC=CC([C@H](NC(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012641675	0	56	0.0	-75.60	443.72	9.35	-66.25
COC1=CC=CC([C@H](NC(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012641675	1	56	0.0	-74.81	436.61	8.87	-65.94
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641676	0	48	0.0	-69.40	367.23	8.89	-60.51
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641676	1	48	0.0	-68.20	360.91	8.50	-59.70
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641677	0	61	0.0	-77.65	435.45	11.06	-66.59
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641677	1	61	0.0	-74.23	433.51	10.92	-63.31
CC1CC(NC(=O)N2CC3CC2(C(=O)[O-])C3)C[N@@H+]1CC1=CC=CC=C1	REAL300012641678	0	50	0.0	-81.61	381.88	10.53	-71.08
CC1CC(NC(=O)N2CC3CC2(C(=O)[O-])C3)C[N@H+]1CC1=CC=CC=C1	REAL300012641678	1	50	0.0	-80.87	382.46	10.35	-70.52
COC1CN(C(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300012641679	0	56	0.0	-77.45	426.25	9.27	-68.18
COC1CN(C(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300012641679	1	56	0.0	-74.33	419.62	9.00	-65.33
CC1CC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641680	0	59	0.0	-71.10	442.09	8.41	-62.69
CC1CC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641680	1	59	0.0	-70.49	442.16	8.41	-62.08
CC1CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C[N@@H+]1CC1=CC=CC=C1	REAL300012641681	0	54	0.0	-73.07	410.05	9.08	-63.99
CC1CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C[N@H+]1CC1=CC=CC=C1	REAL300012641681	1	54	0.0	-73.95	407.94	8.96	-64.99
C=C(Cl)CC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641682	0	49	0.0	-71.44	399.96	8.64	-62.80
C=C(Cl)CC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641682	1	49	0.0	-67.43	406.85	9.16	-58.27
C=C(C)CC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641683	0	52	0.0	-70.45	404.04	8.72	-61.73
C=C(C)CC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641683	1	52	0.0	-73.87	404.17	8.81	-65.06
CC1CC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C[N@@H+]1CC1=CC=CC=C1	REAL300012641684	0	53	0.0	-87.17	391.96	10.81	-76.36
CC1CC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C[N@H+]1CC1=CC=CC=C1	REAL300012641684	1	53	0.0	-80.67	394.66	11.17	-69.50
CC1CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641685	0	49	0.0	-73.32	383.83	9.17	-64.15
CC1CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641685	1	49	0.0	-70.30	388.69	9.51	-60.79
CC1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641686	0	49	0.0	-76.41	383.50	9.55	-66.86
CC1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641686	1	49	0.0	-77.07	383.21	9.43	-67.64
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012641687	0	50	0.0	-79.59	384.20	9.46	-70.13
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012641687	1	50	0.0	-77.55	384.02	9.46	-68.09
CC1CC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641688	0	59	0.0	-72.39	438.27	8.98	-63.41
CC1CC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641688	1	59	0.0	-72.00	445.64	9.51	-62.49
CC(C)C[C@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641689	0	54	0.0	-72.36	415.00	9.18	-63.18
CC(C)C[C@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641689	1	54	0.0	-71.61	409.61	8.85	-62.76
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641690	0	56	0.0	-70.54	418.05	7.52	-63.02
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641690	1	56	0.0	-75.83	423.12	7.77	-68.06
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641691	0	52	0.0	-71.76	406.55	9.60	-62.16
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641691	1	52	0.0	-72.37	407.15	9.58	-62.79
CC1CC(NC(=O)NC(CC2CC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641692	0	52	0.0	-70.64	402.32	9.13	-61.51
CC1CC(NC(=O)NC(CC2CC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641692	1	52	0.0	-71.96	407.95	9.36	-62.60
CC1CC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641693	0	51	0.0	-69.92	416.00	7.67	-62.25
CC1CC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641693	1	51	0.0	-72.90	423.80	8.13	-64.77
CC(C)CCCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641694	0	60	0.0	-71.47	460.45	10.87	-60.60
CC(C)CCCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641694	1	60	0.0	-71.34	452.84	10.41	-60.93
CC1CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641695	0	56	0.0	-69.45	430.09	8.78	-60.67
CC1CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641695	1	56	0.0	-77.13	433.27	8.15	-68.98
CSCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641696	0	49	0.0	-69.20	401.42	8.42	-60.78
CSCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641696	1	49	0.0	-68.79	394.47	7.92	-60.87
COC[C@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641697	0	49	0.0	-74.25	390.51	6.20	-68.05
COC[C@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641697	1	49	0.0	-72.09	382.33	5.74	-66.35
CC[C@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641698	0	48	0.0	-72.78	377.14	7.83	-64.95
CC[C@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641698	1	48	0.0	-71.36	370.95	7.52	-63.84
CC1CC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641699	0	55	0.0	-71.44	435.78	10.60	-60.84
CC1CC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641699	1	55	0.0	-70.87	441.74	10.98	-59.89
CCC(C)CC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641700	0	57	0.0	-70.89	427.19	9.52	-61.37
CCC(C)CC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641700	1	57	0.0	-71.04	427.64	9.53	-61.51
C=CCCCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641701	0	55	0.0	-71.88	426.83	9.61	-62.27
C=CCCCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641701	1	55	0.0	-72.17	434.44	10.09	-62.08
CC1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641702	0	55	0.0	-70.91	435.73	10.60	-60.31
CC1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641702	1	55	0.0	-71.58	441.08	10.93	-60.65
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641703	0	50	0.0	-78.38	380.79	10.54	-67.84
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641703	1	50	0.0	-79.73	387.36	10.91	-68.82
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641704	0	55	0.0	-71.24	420.14	10.69	-60.55
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641704	1	55	0.0	-73.84	414.99	10.36	-63.48
CC1CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641705	0	49	0.0	-79.18	372.00	9.03	-70.15
CC1CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641705	1	49	0.0	-80.75	372.05	8.99	-71.76
CCCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641706	0	51	0.0	-71.51	399.89	8.80	-62.71
CCCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641706	1	51	0.0	-71.32	392.52	8.27	-63.05
CC(C)[C@@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641707	0	51	0.0	-72.44	390.76	8.29	-64.15
CC(C)[C@@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641707	1	51	0.0	-70.00	386.26	8.10	-61.90
CC1CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641708	0	53	0.0	-82.87	391.27	10.97	-71.90
CC1CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641708	1	53	0.0	-82.57	391.21	10.99	-71.58
CCN(C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012641709	0	54	0.0	-74.47	403.32	10.71	-63.76
CCN(C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012641709	1	54	0.0	-73.84	395.68	10.28	-63.56
CCCN(C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012641710	0	54	0.0	-69.03	407.68	10.49	-58.54
CCCN(C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012641710	1	54	0.0	-50.61	401.05	10.96	-39.65
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C[N@@H+]1CC1=CC=CC=C1	REAL300012641711	0	48	0.0	-68.24	391.80	10.26	-57.98
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C[N@H+]1CC1=CC=CC=C1	REAL300012641711	1	48	0.0	-67.67	391.18	10.27	-57.40
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C[N@@H+]1CC1=CC=CC=C1	REAL300012641712	0	48	0.0	-68.24	391.80	10.26	-57.98
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C[N@H+]1CC1=CC=CC=C1	REAL300012641712	1	48	0.0	-67.67	391.18	10.27	-57.40
CC1CC(NC(=O)N(C)C(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641713	0	51	0.0	-72.49	381.30	9.75	-62.74
CC1CC(NC(=O)N(C)C(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641713	1	51	0.0	-73.66	376.03	9.41	-64.25
CC1CC(NC(=O)N2CCC[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641714	0	49	0.0	-76.25	375.73	9.34	-66.91
CC1CC(NC(=O)N2CCC[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641714	1	49	0.0	-76.16	375.78	9.35	-66.81
CC1CC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641715	0	50	0.0	-80.90	383.19	5.61	-75.29
CC1CC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641715	1	50	0.0	-80.00	387.91	6.05	-73.95
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641716	0	56	0.0	-54.43	433.27	12.68	-41.75
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641716	1	56	0.0	-51.63	430.79	12.95	-38.68
CCC[C@@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641717	0	51	0.0	-71.78	398.63	8.61	-63.17
CCC[C@@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641717	1	51	0.0	-71.96	392.45	8.29	-63.67
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641718	0	52	0.0	-72.89	407.12	9.58	-63.31
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641718	1	52	0.0	-72.83	414.59	10.12	-62.71
CC1CC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641719	0	57	0.0	-72.99	446.99	9.60	-63.39
CC1CC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641719	1	57	0.0	-74.85	447.06	9.60	-65.25
C=CCCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641720	0	52	0.0	-70.98	405.33	8.83	-62.15
C=CCCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641720	1	52	0.0	-71.40	412.70	9.36	-62.04
CC1CC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641721	0	51	0.0	-68.78	416.15	7.52	-61.26
CC1CC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641721	1	51	0.0	-75.24	423.62	8.00	-67.24
CC1CC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641722	0	52	0.0	-86.21	399.63	6.82	-79.39
CC1CC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641722	1	52	0.0	-88.99	406.24	7.25	-81.74
CC1CC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641723	0	53	0.0	-73.65	398.14	8.79	-64.86
CC1CC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641723	1	53	0.0	-70.46	402.68	8.99	-61.47
CC1CC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641724	0	52	0.0	-75.44	391.94	10.32	-65.12
CC1CC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641724	1	52	0.0	-77.24	392.88	10.27	-66.97
CC(C)[C@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641725	0	51	0.0	-72.28	389.17	8.21	-64.07
CC(C)[C@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641725	1	51	0.0	-71.42	385.31	8.03	-63.39
CC1CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641726	0	52	0.0	-72.51	407.07	9.58	-62.93
CC1CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641726	1	52	0.0	-73.23	414.19	10.06	-63.17
CC1CC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641727	0	55	0.0	-70.94	420.89	8.96	-61.98
CC1CC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641727	1	55	0.0	-70.87	420.98	8.95	-61.92
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641728	0	48	0.0	-69.40	367.23	8.89	-60.51
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641728	1	48	0.0	-68.20	360.91	8.50	-59.70
CCC[C@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641729	0	51	0.0	-72.77	398.64	8.59	-64.18
CCC[C@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641729	1	51	0.0	-70.79	392.20	8.34	-62.45
CCN(C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012641730	0	51	0.0	-72.84	389.44	10.47	-62.37
CCN(C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012641730	1	51	0.0	-68.16	378.65	9.35	-58.81
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641731	0	55	0.0	-56.37	405.22	10.89	-45.48
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641731	1	55	0.0	-56.11	410.39	11.22	-44.89
CC(CN(C)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641732	0	51	0.0	-74.94	389.18	9.34	-65.60
CC(CN(C)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641732	1	51	0.0	-74.35	382.54	9.03	-65.32
CC[C@H](C)[C@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641733	0	54	0.0	-72.37	408.24	8.90	-63.47
CC[C@H](C)[C@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641733	1	54	0.0	-71.45	408.84	8.90	-62.55
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641734	0	51	0.0	-70.49	387.56	9.81	-60.68
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641734	1	51	0.0	-68.18	382.42	9.64	-58.54
CC1CC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641735	0	53	0.0	-75.48	404.07	5.51	-69.97
CC1CC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641735	1	53	0.0	-74.23	409.40	5.84	-68.39
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641736	0	61	0.0	-73.54	458.40	9.19	-64.35
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641736	1	61	0.0	-71.89	450.75	8.74	-63.15
CC1CCC(NC(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012641737	0	55	0.0	-73.07	412.35	9.49	-63.58
CC1CCC(NC(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012641737	1	55	0.0	-76.34	413.20	9.73	-66.61
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C[N@@H+]1CC1=CC=CC=C1	REAL300012641738	0	58	0.0	-73.39	421.75	10.29	-63.10
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C[N@H+]1CC1=CC=CC=C1	REAL300012641738	1	58	0.0	-77.18	415.01	9.85	-67.33
COCCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641739	0	52	0.0	-72.31	412.30	7.04	-65.27
COCCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641739	1	52	0.0	-70.96	403.86	6.58	-64.38
CC1CC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641740	0	58	0.0	-72.47	439.90	12.57	-59.90
CC1CC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641740	1	58	0.0	-74.48	440.01	12.47	-62.01
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641741	0	55	0.0	-76.29	408.16	9.92	-66.37
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641741	1	55	0.0	-77.41	414.72	10.23	-67.18
CC1CC(NC(=O)NC(C(=O)[O-])C2(C)CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641742	0	52	0.0	-73.70	394.55	8.88	-64.82
CC1CC(NC(=O)NC(C(=O)[O-])C2(C)CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641742	1	52	0.0	-71.96	397.55	9.18	-62.78
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641743	0	61	0.0	-72.50	460.44	9.07	-63.43
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641743	1	61	0.0	-73.82	455.29	8.74	-65.08
CC1CC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641744	0	50	0.0	-81.43	385.63	6.22	-75.21
CC1CC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641744	1	50	0.0	-82.01	385.59	6.23	-75.78
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641745	0	53	0.0	-70.42	398.11	6.52	-63.90
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641745	1	53	0.0	-69.38	408.01	7.11	-62.27
CC1CC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641746	0	53	0.0	-82.30	398.13	11.03	-71.27
CC1CC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641746	1	53	0.0	-82.52	397.65	10.84	-71.68
CC1CC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C[N@@H+]1CC1=CC=CC=C1	REAL300012641747	0	51	0.0	-78.34	384.40	8.19	-70.15
CC1CC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C[N@H+]1CC1=CC=CC=C1	REAL300012641747	1	51	0.0	-79.81	383.75	8.30	-71.51
CC1CC(NC(=O)N2CC(C)CCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641748	0	55	0.0	-78.73	401.30	11.06	-67.67
CC1CC(NC(=O)N2CC(C)CCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641748	1	55	0.0	-79.60	407.57	11.34	-68.26
CC(C1=CC=CC=C1)C(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641749	0	58	0.0	-72.11	451.04	11.30	-60.81
CC(C1=CC=CC=C1)C(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641749	1	58	0.0	-73.18	445.08	11.04	-62.14
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641750	0	59	0.0	-71.65	443.40	10.72	-60.93
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641750	1	59	0.0	-71.31	439.24	11.32	-59.99
CC1CC(NC(=O)NC(C(=O)[O-])C2CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641751	0	52	0.0	-72.86	406.18	9.02	-63.84
CC1CC(NC(=O)NC(C(=O)[O-])C2CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641751	1	52	0.0	-70.70	395.84	8.80	-61.90
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641752	0	58	0.0	-72.93	424.02	9.80	-63.13
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641752	1	58	0.0	-73.23	431.69	10.26	-62.97
CC1CC(NC(=O)NC(C(=O)[O-])C2CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641753	0	52	0.0	-72.86	406.18	9.02	-63.84
CC1CC(NC(=O)NC(C(=O)[O-])C2CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641753	1	52	0.0	-70.70	395.84	8.80	-61.90
CC1CCN(C(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300012641754	0	52	0.0	-78.27	390.35	10.00	-68.27
CC1CCN(C(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300012641754	1	52	0.0	-78.80	391.10	9.67	-69.13
C=CCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641755	0	49	0.0	-71.64	384.29	7.96	-63.68
C=CCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641755	1	49	0.0	-71.85	391.91	8.44	-63.41
CC1CC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641756	0	59	0.0	-70.31	450.67	9.71	-60.60
CC1CC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641756	1	59	0.0	-76.92	445.22	8.70	-68.22
CC1CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C[N@@H+]1CC1=CC=CC=C1	REAL300012641757	0	59	0.0	-51.54	416.78	11.25	-40.29
CC1CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C[N@H+]1CC1=CC=CC=C1	REAL300012641757	1	59	0.0	-50.75	422.37	11.58	-39.17
CC1CC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641758	0	59	0.0	-77.00	428.04	8.99	-68.01
CC1CC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641758	1	59	0.0	-76.74	428.67	8.98	-67.76
CC1CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641759	0	53	0.0	-46.53	392.59	10.41	-36.12
CC1CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641759	1	53	0.0	-51.24	392.80	10.42	-40.82
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641760	0	59	0.0	-71.65	443.40	10.72	-60.93
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641760	1	59	0.0	-71.31	439.24	11.32	-59.99
CC1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641761	0	55	0.0	-69.10	435.62	10.65	-58.45
CC1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641761	1	55	0.0	-69.77	443.47	11.06	-58.71
COC1CC(NC(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012641762	0	53	0.0	-76.79	410.48	7.51	-69.28
COC1CC(NC(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012641762	1	53	0.0	-71.48	403.53	7.10	-64.38
CC1CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641763	0	49	0.0	-73.99	380.78	8.23	-65.76
CC1CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641763	1	49	0.0	-68.90	390.96	8.82	-60.08
CO[C@H]1C[C@](NC(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012641764	0	53	0.0	-72.30	411.50	7.54	-64.76
CO[C@H]1C[C@](NC(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012641764	1	53	0.0	-71.23	403.66	7.09	-64.14
CC1CC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641765	0	52	0.0	-73.35	408.91	9.29	-64.06
CC1CC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641765	1	52	0.0	-72.49	414.06	9.61	-62.88
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641766	0	55	0.0	-78.98	408.24	11.33	-67.65
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641766	1	55	0.0	-81.24	408.37	11.67	-69.57
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641767	0	48	0.0	-65.75	386.71	8.28	-57.47
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641767	1	48	0.0	-67.17	394.56	8.67	-58.50
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641768	0	56	0.0	-69.87	427.74	7.57	-62.30
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641768	1	56	0.0	-69.66	427.66	7.58	-62.08
CC1CC(NC(=O)NC2(C(=O)[O-])COC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641769	0	47	0.0	-69.76	362.87	5.25	-64.51
CC1CC(NC(=O)NC2(C(=O)[O-])COC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641769	1	47	0.0	-69.58	362.42	5.29	-64.29
CC1CC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641770	0	52	0.0	-72.20	429.87	9.98	-62.22
CC1CC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641770	1	52	0.0	-73.33	428.04	10.06	-63.27
CC(C)C(C)(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641771	0	54	0.0	-73.14	391.90	8.56	-64.58
CC(C)C(C)(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641771	1	54	0.0	-72.81	390.19	8.48	-64.33
CC1CC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641772	0	50	0.0	-82.69	377.20	10.60	-72.09
CC1CC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641772	1	50	0.0	-81.97	383.24	10.90	-71.07
CC1CC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641773	0	53	0.0	-79.44	393.35	10.21	-69.23
CC1CC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641773	1	53	0.0	-78.65	393.06	10.17	-68.48
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641774	0	58	0.0	-48.18	444.28	13.73	-34.45
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641774	1	58	0.0	-51.37	437.21	13.29	-38.08
CC1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641775	0	61	0.0	-71.13	450.51	10.72	-60.41
CC1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641775	1	61	0.0	-70.99	450.52	10.72	-60.27
CC1CC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641776	0	58	0.0	-72.35	452.36	11.31	-61.04
CC1CC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641776	1	58	0.0	-73.38	458.30	11.68	-61.70
CC1CC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641777	0	58	0.0	-72.94	452.36	11.30	-61.64
CC1CC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641777	1	58	0.0	-72.87	458.54	11.63	-61.24
CC1CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C[N@@H+]1CC1=CC=CC=C1	REAL300012641778	0	59	0.0	-72.23	431.85	10.31	-61.92
CC1CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C[N@H+]1CC1=CC=CC=C1	REAL300012641778	1	59	0.0	-74.67	438.88	10.71	-63.96
CC1CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641779	0	61	0.0	-72.61	451.32	10.72	-61.89
CC1CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641779	1	61	0.0	-72.29	458.79	11.24	-61.05
CC1CC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641780	0	61	0.0	-71.86	451.28	10.71	-61.15
CC1CC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641780	1	61	0.0	-73.49	457.47	11.03	-62.46
CC1CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641781	0	59	0.0	-52.20	438.55	11.65	-40.55
CC1CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641781	1	59	0.0	-51.91	437.63	11.68	-40.23
CC1CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641782	0	59	0.0	-79.60	427.62	11.18	-68.42
CC1CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641782	1	59	0.0	-80.30	434.94	11.63	-68.67
C=CCSCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641783	0	53	0.0	-68.14	428.45	9.45	-58.69
C=CCSCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641783	1	53	0.0	-70.01	436.37	9.85	-60.16
CCC(C(=O)[O-])N(CC)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641784	0	54	0.0	-69.45	402.86	10.66	-58.79
CCC(C(=O)[O-])N(CC)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641784	1	54	0.0	-72.76	397.76	10.95	-61.81
COC1(C(NC(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300012641785	0	56	0.0	-67.95	420.72	7.44	-60.51
COC1(C(NC(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300012641785	1	56	0.0	-74.38	419.16	7.29	-67.09
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641786	0	52	0.0	-78.65	403.81	9.08	-69.57
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641786	1	52	0.0	-77.06	408.92	9.39	-67.67
CC1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641788	0	49	0.0	-76.41	383.50	9.55	-66.86
CC1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641788	1	49	0.0	-77.07	383.21	9.43	-67.64
CC1CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641789	0	51	0.0	-51.92	392.86	10.74	-41.18
CC1CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641789	1	51	0.0	-51.63	391.16	10.61	-41.02
CC1CC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641790	0	55	0.0	-80.12	404.74	10.33	-69.79
CC1CC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641790	1	55	0.0	-76.31	407.23	10.69	-65.62
CC1CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641791	0	59	0.0	-82.19	433.84	12.80	-69.39
CC1CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641791	1	59	0.0	-80.41	430.99	12.40	-68.01
CC(C)CCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641792	0	57	0.0	-71.72	438.95	10.10	-61.62
CC(C)CCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641792	1	57	0.0	-71.40	431.58	9.56	-61.84
CC1CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641793	0	56	0.0	-53.99	418.98	10.85	-43.14
CC1CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641793	1	56	0.0	-52.93	421.88	11.23	-41.70
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641794	0	56	0.0	-69.87	427.74	7.57	-62.30
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641794	1	56	0.0	-69.66	427.66	7.58	-62.08
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012641795	0	53	0.0	-74.16	419.24	10.71	-63.45
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012641795	1	53	0.0	-73.78	418.15	10.93	-62.85
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)C[N@@H+]1CC1=CC=CC=C1	REAL300012641796	0	56	0.0	-76.17	406.48	10.34	-65.83
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)C[N@H+]1CC1=CC=CC=C1	REAL300012641796	1	56	0.0	-75.55	416.63	10.55	-65.00
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)C[N@@H+]1CC1=CC=CC=C1	REAL300012641797	0	53	0.0	-76.34	393.40	9.47	-66.87
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)C[N@H+]1CC1=CC=CC=C1	REAL300012641797	1	53	0.0	-77.83	399.54	9.76	-68.07
CC1CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641798	0	56	0.0	-74.26	414.44	9.85	-64.41
CC1CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641798	1	56	0.0	-74.26	420.93	10.12	-64.14
CC1CC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641799	0	58	0.0	-71.83	437.94	12.44	-59.39
CC1CC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641799	1	58	0.0	-70.44	443.60	12.88	-57.56
CC1CC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C[N@@H+]1CC1=CC=CC=C1	REAL300012641800	0	62	0.0	-51.97	452.82	12.33	-39.64
CC1CC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C[N@H+]1CC1=CC=CC=C1	REAL300012641800	1	62	0.0	-54.06	452.73	12.13	-41.93
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641801	0	55	0.0	-73.08	407.16	9.04	-64.04
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012641801	1	55	0.0	-72.55	414.79	9.56	-62.99
CO[C@H](C)[C@H](NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641802	0	52	0.0	-74.01	407.14	7.07	-66.94
CO[C@H](C)[C@H](NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641802	1	52	0.0	-72.40	400.96	6.76	-65.64
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641803	0	52	0.0	-72.75	385.00	8.75	-64.00
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641803	1	52	0.0	-74.80	393.01	9.20	-65.60
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641804	0	55	0.0	-58.23	427.81	12.32	-45.91
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641804	1	55	0.0	-56.94	433.03	12.66	-44.28
CC1CC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641805	0	55	0.0	-54.33	410.46	10.19	-44.14
CC1CC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641805	1	55	0.0	-54.43	416.54	10.43	-44.00
CC1CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641806	0	52	0.0	-79.19	392.48	10.81	-68.38
CC1CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641806	1	52	0.0	-78.65	397.97	10.79	-67.86
CC1CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641807	0	49	0.0	-84.00	382.58	9.15	-74.85
CC1CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641807	1	49	0.0	-77.80	388.61	9.45	-68.35
CC1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641808	0	55	0.0	-69.10	435.62	10.65	-58.45
CC1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641808	1	55	0.0	-69.77	443.47	11.06	-58.71
CC1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641809	0	52	0.0	-72.50	428.52	9.89	-62.61
CC1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641809	1	52	0.0	-73.52	427.87	9.90	-63.62
CC1CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641810	0	52	0.0	-70.82	398.83	10.10	-60.72
CC1CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641810	1	52	0.0	-77.29	407.01	10.65	-66.64
CC1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641811	0	52	0.0	-72.50	428.52	9.89	-62.61
CC1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641811	1	52	0.0	-73.52	427.87	9.90	-63.62
CC1CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641812	0	56	0.0	-80.56	408.33	10.81	-69.75
CC1CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641812	1	56	0.0	-78.50	412.54	10.82	-67.68
COCCCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641813	0	55	0.0	-71.54	433.80	7.82	-63.72
COCCCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641813	1	55	0.0	-70.73	426.19	7.34	-63.39
CCCC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641814	0	54	0.0	-67.94	403.99	10.41	-57.53
CCCC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641814	1	54	0.0	-67.81	403.65	10.30	-57.51
CCOCC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641815	0	52	0.0	-74.57	412.34	7.19	-67.38
CCOCC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012641815	1	52	0.0	-73.63	404.73	6.73	-66.90
CC1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641816	0	57	0.0	-71.89	421.87	9.90	-61.99
CC1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641816	1	57	0.0	-72.75	428.60	10.38	-62.37
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641817	0	56	0.0	-74.22	422.54	8.11	-66.11
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)C[N@H+]1CC1=CC=CC=C1	REAL300012641817	1	56	0.0	-76.10	429.14	8.10	-68.00
CC1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641818	0	56	0.0	-74.40	426.58	10.83	-63.57
CC1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C[N@H+]1CC1=CC=CC=C1	REAL300012641818	1	56	0.0	-73.27	431.67	11.22	-62.05
CC1CC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641819	0	53	0.0	-80.70	399.24	9.44	-71.26
CC1CC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641819	1	53	0.0	-80.16	398.56	9.28	-70.88
CC1CC(NC(=O)NC(CCC#N)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012641820	0	49	0.0	-72.50	391.04	8.02	-64.48
CC1CC(NC(=O)NC(CCC#N)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012641820	1	49	0.0	-73.45	399.24	8.54	-64.91
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C[N@@H+]1CC1=CC=CC=C1	REAL300012641821	0	52	0.0	-59.93	403.96	10.21	-49.72
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C[N@H+]1CC1=CC=CC=C1	REAL300012641821	1	52	0.0	-54.77	405.28	10.60	-44.17
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012641822	0	48	0.0	-68.37	369.17	8.92	-59.45
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012641822	1	48	0.0	-69.25	360.92	8.41	-60.84
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012641823	0	56	0.0	-75.37	430.14	9.76	-65.61
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012641823	1	56	0.0	-74.89	432.31	9.89	-65.00
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642351	0	58	0.0	-76.50	436.97	6.78	-69.72
C=CCOCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642352	0	57	0.0	-74.16	444.64	5.89	-68.27
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642353	0	56	0.0	-62.35	428.50	7.26	-55.09
CC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C(C(=O)[O-])C1	REAL300012642354	0	59	0.0	-77.52	428.93	9.67	-67.85
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642355	0	55	0.0	-63.34	417.76	8.69	-54.65
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1CCC1	REAL300012642356	0	59	0.0	-65.79	431.73	8.24	-57.55
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(CC)C(=O)[O-]	REAL300012642357	0	61	0.0	-62.84	445.26	9.54	-53.30
CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642358	0	55	0.0	-63.36	409.92	6.51	-56.85
O=C([O-])C1CCCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642359	0	56	0.0	-78.66	408.76	9.29	-69.37
O=C([O-])C1CSCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642360	0	54	0.0	-78.68	410.29	8.25	-70.43
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCCCC1	REAL300012642361	0	59	0.0	-64.04	428.25	8.42	-55.62
O=C([O-])C1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642362	0	53	0.0	-79.04	396.63	8.16	-70.88
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCCC1	REAL300012642363	0	56	0.0	-64.19	413.64	7.34	-56.85
O=C([O-])CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642364	0	46	0.0	-60.69	355.89	4.25	-56.44
O=C([O-])[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1=CC=CC=C1	REAL300012642365	0	56	0.0	-66.17	434.67	8.17	-58.00
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1=CC=CC=C1	REAL300012642366	0	56	0.0	-65.31	434.41	8.25	-57.06
CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642367	0	52	0.0	-63.80	398.24	6.16	-57.64
CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642368	0	55	0.0	-63.36	409.92	6.51	-56.85
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642369	0	49	0.0	-63.14	373.71	6.89	-56.25
CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642370	0	49	0.0	-62.53	376.51	5.11	-57.42
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642371	0	58	0.0	-65.09	429.14	7.08	-58.01
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642372	0	49	0.0	-63.14	373.71	6.89	-56.25
O=C([O-])C1CCCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642373	0	56	0.0	-78.66	408.76	9.29	-69.37
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642374	0	58	0.0	-73.69	424.14	7.24	-66.45
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642375	0	55	0.0	-63.49	409.54	7.39	-56.10
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1CC1	REAL300012642376	0	53	0.0	-66.23	403.68	7.41	-58.82
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642377	0	53	0.0	-62.99	409.07	8.48	-54.51
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642378	0	58	0.0	-62.35	430.72	9.00	-53.35
CC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642379	0	52	0.0	-60.08	389.25	5.49	-54.59
CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)(C(=O)[O-])C1CC1	REAL300012642380	0	56	0.0	-64.57	412.14	7.24	-57.33
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCCCC1	REAL300012642381	0	59	0.0	-64.04	428.25	8.42	-55.62
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642382	0	55	0.0	-63.49	409.54	7.39	-56.10
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642383	0	55	0.0	-63.34	417.76	8.69	-54.65
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642384	0	52	0.0	-63.16	395.46	7.88	-55.28
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642385	0	58	0.0	-71.53	428.30	7.14	-64.39
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCCC1	REAL300012642386	0	56	0.0	-64.19	413.64	7.34	-56.85
CCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642387	0	55	0.0	-73.37	402.64	6.48	-66.89
C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642388	0	49	0.0	-62.61	376.68	5.09	-57.52
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642389	0	52	0.0	-63.16	395.46	7.88	-55.28
C[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642390	0	49	0.0	-60.11	376.68	5.09	-55.02
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CC1	REAL300012642391	0	50	0.0	-75.40	383.08	6.41	-68.99
O=C([O-])C1COCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642392	0	54	0.0	-75.37	399.52	6.75	-68.62
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1CC1	REAL300012642393	0	53	0.0	-65.60	404.87	6.59	-59.01
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642394	0	56	0.0	-63.76	427.58	7.09	-56.67
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642395	0	53	0.0	-68.67	401.04	7.11	-61.56
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642396	0	56	0.0	-79.70	409.39	8.22	-71.48
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642397	0	52	0.0	-61.98	389.49	7.01	-54.97
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642398	0	53	0.0	-74.99	395.68	7.91	-67.08
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCC1	REAL300012642399	0	53	0.0	-68.87	399.64	6.83	-62.04
C=CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642400	0	53	0.0	-72.10	409.67	6.49	-65.61
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642401	0	56	0.0	-80.09	414.02	8.68	-71.41
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642402	0	59	0.0	-83.28	422.94	8.70	-74.58
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1CC1	REAL300012642403	0	53	0.0	-65.60	404.87	6.59	-59.01
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642404	0	52	0.0	-61.99	389.47	7.00	-54.99
CCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642405	0	58	0.0	-64.49	441.48	7.64	-56.85
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642406	0	56	0.0	-77.95	413.17	8.58	-69.37
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1CCCC1	REAL300012642407	0	59	0.0	-62.43	432.48	9.35	-53.08
COCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642408	0	53	0.0	-74.36	409.88	4.33	-70.03
CCCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642409	0	61	0.0	-63.53	462.74	8.49	-55.04
CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1(C(=O)[O-])CCCC1	REAL300012642410	0	59	0.0	-80.04	421.73	9.11	-70.93
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1CC1	REAL300012642411	0	56	0.0	-63.42	409.02	7.35	-56.07
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1CC1	REAL300012642412	0	59	0.0	-51.89	437.26	8.83	-43.06
COCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642413	0	56	0.0	-77.58	420.88	5.77	-71.81
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642414	0	59	0.0	-62.87	441.76	7.49	-55.38
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642415	0	58	0.0	-62.35	430.72	9.00	-53.35
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1CC1	REAL300012642416	0	53	0.0	-66.23	403.68	7.41	-58.82
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCOC1	REAL300012642417	0	54	0.0	-72.13	404.14	4.61	-67.52
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCOCC1	REAL300012642418	0	57	0.0	-63.53	419.57	5.94	-57.59
C=CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642419	0	56	0.0	-63.45	432.55	7.49	-55.96
O=C([O-])C(CF)NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642420	0	49	0.0	-58.98	380.29	5.10	-53.88
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642421	0	52	0.0	-61.99	389.47	7.00	-54.99
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642422	0	58	0.0	-64.07	419.03	7.37	-56.70
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642423	0	58	0.0	-62.83	424.87	9.30	-53.53
CCC(COC)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642424	0	59	0.0	-80.21	434.28	6.53	-73.68
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642425	0	56	0.0	-73.16	426.96	7.50	-65.66
COCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642426	0	56	0.0	-63.87	431.91	5.22	-58.65
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642427	0	61	0.0	-75.15	448.22	8.86	-66.29
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642428	0	52	0.0	-59.23	408.86	6.68	-52.55
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(C)C(=O)[O-]	REAL300012642429	0	58	0.0	-61.59	428.59	7.81	-53.78
O=C([O-])C(CCF)NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642430	0	52	0.0	-62.58	404.83	6.30	-56.28
CC(CCF)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642431	0	55	0.0	-70.71	409.23	6.61	-64.10
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642432	0	53	0.0	-59.81	411.64	7.78	-52.03
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642433	0	52	0.0	-69.06	389.10	7.15	-61.91
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642434	0	54	0.0	-76.61	400.72	8.64	-67.97
CC(C)(C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642435	0	58	0.0	-75.42	429.08	7.15	-68.27
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642436	0	53	0.0	-76.54	428.41	6.27	-70.27
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642437	0	56	0.0	-76.69	433.83	6.40	-70.29
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642438	0	57	0.0	-86.99	420.90	8.53	-78.46
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642439	0	53	0.0	-68.53	407.70	8.01	-60.52
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642440	0	53	0.0	-73.65	402.14	8.00	-65.65
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300012642441	0	54	0.0	-77.16	408.11	7.94	-69.22
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642442	0	58	0.0	-76.50	436.97	6.78	-69.72
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1=CC=CC=C1	REAL300012642443	0	56	0.0	-65.31	434.41	8.25	-57.06
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642444	0	56	0.0	-73.16	426.96	7.50	-65.66
CSCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642445	0	53	0.0	-69.66	420.91	6.45	-63.21
COC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642446	0	53	0.0	-74.37	409.88	4.33	-70.04
CC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642447	0	52	0.0	-73.77	397.41	5.98	-67.79
CCC(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642448	0	61	0.0	-64.30	454.82	8.12	-56.18
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642449	0	59	0.0	-64.54	454.30	8.20	-56.34
O=C([O-])C1CSCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642450	0	54	0.0	-78.68	410.29	8.25	-70.43
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642451	0	53	0.0	-68.67	401.04	7.11	-61.56
CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642452	0	55	0.0	-64.57	419.99	6.86	-57.71
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642453	0	55	0.0	-64.78	415.52	6.67	-58.11
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642454	0	57	0.0	-82.12	416.36	9.56	-72.56
CCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(C)(C)C(=O)[O-]	REAL300012642455	0	58	0.0	-78.41	422.65	8.93	-69.48
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(C)C(=O)[O-]	REAL300012642456	0	58	0.0	-61.59	428.59	7.81	-53.78
CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(C)(C)C(=O)[O-]	REAL300012642457	0	55	0.0	-77.33	403.30	8.06	-69.27
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642458	0	53	0.0	-74.99	395.68	7.91	-67.08
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642459	0	54	0.0	-69.98	411.83	3.69	-66.29
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642460	0	55	0.0	-64.60	419.98	6.86	-57.74
O=C([O-])[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1=CC=CC=C1	REAL300012642461	0	56	0.0	-66.17	434.67	8.17	-58.00
C=CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642462	0	56	0.0	-63.45	432.55	7.49	-55.96
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642463	0	56	0.0	-62.95	412.83	8.58	-54.37
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642464	0	55	0.0	-74.73	415.08	6.61	-68.12
O=C([O-])[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1=CC=CC=C1	REAL300012642465	0	56	0.0	-72.89	434.64	8.18	-64.71
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642466	0	52	0.0	-69.06	389.10	7.15	-61.91
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642467	0	55	0.0	-73.11	417.91	6.74	-66.37
CCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(C)C(=O)[O-]	REAL300012642468	0	55	0.0	-62.14	407.73	7.93	-54.21
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1CCCC1	REAL300012642469	0	59	0.0	-62.43	432.48	9.35	-53.08
CC(CN(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642470	0	55	0.0	-70.89	409.19	7.52	-63.37
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642471	0	58	0.0	-71.53	428.30	7.14	-64.39
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642472	0	55	0.0	-71.58	406.45	7.94	-63.64
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CC(CO)C1	REAL300012642473	0	57	0.0	-66.74	432.11	4.21	-62.53
CC1CCC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)(C(=O)[O-])C1	REAL300012642474	0	59	0.0	-67.45	434.58	7.85	-59.60
COCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642475	0	56	0.0	-63.87	431.91	5.22	-58.65
CC1(C)CC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)(C(=O)[O-])C1	REAL300012642476	0	59	0.0	-69.44	436.07	8.53	-60.91
CC1(C(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C(=O)[O-])CC1	REAL300012642477	0	56	0.0	-65.19	419.94	7.44	-57.75
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642478	0	54	0.0	-73.72	410.49	3.88	-69.84
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1CCOC1	REAL300012642479	0	57	0.0	-62.15	425.64	5.11	-57.04
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642480	0	57	0.0	-83.31	421.58	8.52	-74.79
O=C([O-])C12COC(CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C2	REAL300012642481	0	55	0.0	-72.95	410.88	6.83	-66.12
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300012642482	0	59	0.0	-78.14	429.69	9.91	-68.23
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1CCC1	REAL300012642483	0	56	0.0	-63.76	418.15	7.06	-56.70
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1CCC1	REAL300012642484	0	56	0.0	-63.76	418.15	7.06	-56.70
CC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1C(=O)[O-]	REAL300012642485	0	56	0.0	-67.76	411.97	8.19	-59.57
C=CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642486	0	53	0.0	-72.10	409.67	6.49	-65.61
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642487	0	57	0.0	-41.52	420.32	8.36	-33.16
COC1CC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)(C(=O)[O-])C1	REAL300012642488	0	57	0.0	-68.56	433.31	5.89	-62.67
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CC(F)(F)C1	REAL300012642489	0	53	0.0	-67.41	408.06	6.85	-60.56
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)(C(=O)[O-])C1	REAL300012642490	0	57	0.0	-77.62	432.47	5.29	-72.33
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642491	0	59	0.0	-69.16	426.66	9.20	-59.96
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)COC1	REAL300012642492	0	51	0.0	-61.09	390.67	3.97	-57.12
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642493	0	58	0.0	-63.98	419.37	7.17	-56.81
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642494	0	54	0.0	-76.64	407.11	8.58	-68.06
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642495	0	57	0.0	-64.24	419.47	8.80	-55.44
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642496	0	58	0.0	-62.22	424.29	8.91	-53.31
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642497	0	53	0.0	-73.65	402.14	8.00	-65.65
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642498	0	55	0.0	-58.59	410.70	8.78	-49.81
CC1(C)CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1C(=O)[O-]	REAL300012642499	0	59	0.0	-71.19	431.56	8.58	-62.61
CC(C)CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642500	0	61	0.0	-64.60	459.05	8.16	-56.44
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCC2CC21	REAL300012642501	0	57	0.0	-80.19	420.30	8.02	-72.17
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1CCCC1	REAL300012642502	0	59	0.0	-63.25	433.75	7.65	-55.60
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642503	0	56	0.0	-74.75	428.24	5.21	-69.54
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642504	0	56	0.0	-69.34	421.77	7.95	-61.39
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300012642505	0	59	0.0	-41.07	435.83	7.80	-33.27
O=C([O-])C1N(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCC1(F)F	REAL300012642506	0	53	0.0	-81.05	405.67	8.26	-72.79
COCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642507	0	59	0.0	-64.37	453.66	5.93	-58.44
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642508	0	58	0.0	-71.80	427.97	8.71	-63.09
CCOCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642509	0	56	0.0	-74.94	432.22	5.33	-69.61
CC(C)(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642510	0	61	0.0	-77.98	450.75	7.61	-70.37
C[C@H]1OCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)[C@@H]1C(=O)[O-]	REAL300012642511	0	57	0.0	-76.59	422.55	6.97	-69.62
N#CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300012642512	0	53	0.0	-64.60	419.09	6.66	-57.94
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300012642513	0	52	0.0	-61.98	389.49	7.01	-54.97
O=C([O-])CNC(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300012642878	1	42	0.0	-72.68	365.32	7.15	-65.53
CCC(NC(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012642879	1	48	0.0	-81.75	407.94	9.00	-72.75
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300012642880	1	45	0.0	-81.16	384.06	9.83	-71.33
CC(NC(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012642881	1	45	0.0	-72.98	386.11	7.97	-65.01
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300012642882	1	45	0.0	-81.16	384.06	9.83	-71.33
CC(C)(NC(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012642883	1	48	0.0	-71.81	398.69	8.37	-63.44
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300012642884	1	48	0.0	-81.32	405.87	10.81	-70.51
C[C@H](NC(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012642885	1	45	0.0	-73.59	385.85	7.92	-65.67
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300012642886	1	48	0.0	-81.32	405.87	10.81	-70.51
C[C@@H](NC(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012642887	1	45	0.0	-73.70	386.43	7.93	-65.77
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC(Cl)=CC(Cl)=C3)CC2)CC1	REAL300012642888	1	46	0.0	-86.21	391.99	9.12	-77.09
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300012642889	1	48	0.0	-78.86	397.92	9.91	-68.95
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300012642890	1	48	0.0	-77.88	398.03	10.06	-67.82
O=C([O-])C(CF)NC(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300012642891	1	45	0.0	-70.98	390.04	7.97	-63.01
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300012642892	1	48	0.0	-77.88	398.03	10.06	-67.82
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C[N@@H+](CCNC(=O)NC(CC1CCCOC1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643400	1	55	0.0	-78.77	429.36	7.64	-71.13
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C=C(Cl)CC(NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643402	0	45	0.0	-75.05	386.38	7.93	-67.12
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CC(C)C[C@H](NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643409	0	50	0.0	-78.81	395.82	8.17	-70.64
CC(C)C[C@H](NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643409	1	50	0.0	-79.45	396.60	8.11	-71.34
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)CC1=CC=C(F)C=C1	REAL300012643410	0	52	0.0	-82.79	402.98	6.58	-76.21
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)CC1=CC=C(F)C=C1	REAL300012643410	1	52	0.0	-83.03	403.03	6.58	-76.45
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CC1=CC=C(F)C=C1	REAL300012643411	0	48	0.0	-80.18	394.03	8.87	-71.31
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CC1=CC=C(F)C=C1	REAL300012643411	1	48	0.0	-80.30	394.08	8.87	-71.43
C[N@H+](CCNC(=O)NC(CC1CC1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643412	0	48	0.0	-78.73	389.79	8.31	-70.42
C[N@@H+](CCNC(=O)NC(CC1CC1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643412	1	48	0.0	-79.08	390.08	8.22	-70.86
C[N@H+](CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643413	0	47	0.0	-76.85	402.04	6.99	-69.86
C[N@@H+](CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643413	1	47	0.0	-77.81	402.91	6.98	-70.83
CC(C)CCCC(NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643414	0	56	0.0	-78.51	439.77	9.70	-68.81
CC(C)CCCC(NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643414	1	56	0.0	-78.67	439.72	9.70	-68.97
C[N@H+](CCNC(=O)NC(CC1CCCO1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643415	0	52	0.0	-82.91	413.84	7.25	-75.66
C[N@@H+](CCNC(=O)NC(CC1CCCO1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643415	1	52	0.0	-83.33	414.15	7.18	-76.15
CSCC(NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643416	0	45	0.0	-75.86	381.40	7.22	-68.64
CSCC(NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643416	1	45	0.0	-76.65	381.60	7.15	-69.50
COC[C@H](NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643417	0	45	0.0	-79.99	369.32	5.03	-74.96
COC[C@H](NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643417	1	45	0.0	-80.45	369.76	5.04	-75.41
CC[C@H](NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643418	0	44	0.0	-79.40	357.95	6.80	-72.60
CC[C@H](NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643418	1	44	0.0	-79.20	357.90	6.81	-72.39
C[N@H+](CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643419	0	51	0.0	-79.12	422.75	9.89	-69.23
C[N@@H+](CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643419	1	51	0.0	-78.89	422.79	9.89	-69.00
CCC(C)CC(NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643420	0	53	0.0	-79.21	414.76	8.83	-70.38
CCC(C)CC(NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643420	1	53	0.0	-79.99	414.97	8.75	-71.24
C=CCCCC(NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643421	0	51	0.0	-78.85	413.47	8.97	-69.88
C=CCCCC(NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643421	1	51	0.0	-79.19	413.75	8.91	-70.28
C[N@H+](CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643422	0	51	0.0	-78.88	422.68	9.89	-68.99
C[N@@H+](CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643422	1	51	0.0	-79.10	422.73	9.88	-69.22
C[N@H+](CCNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643423	0	46	0.0	-87.54	368.37	10.00	-77.54
C[N@@H+](CCNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643423	1	46	0.0	-85.78	367.62	9.74	-76.04
C[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=C(F)C=C1	REAL300012643424	0	51	0.0	-79.94	401.86	9.66	-70.28
C[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=C(F)C=C1	REAL300012643424	1	51	0.0	-80.14	401.90	9.65	-70.49
C[N@H+](CCNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643425	0	45	0.0	-85.42	357.42	8.40	-77.02
C[N@@H+](CCNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643425	1	45	0.0	-85.22	357.49	8.40	-76.82
CCCC(NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643426	0	47	0.0	-78.55	379.20	7.63	-70.92
CCCC(NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643426	1	47	0.0	-79.32	379.40	7.57	-71.75
CC(C)[C@@H](NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643427	0	47	0.0	-78.50	369.39	7.21	-71.29
CC(C)[C@@H](NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643427	1	47	0.0	-78.75	369.35	7.21	-71.54
C[N@H+](CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643428	0	49	0.0	-91.13	378.31	10.26	-80.87
C[N@@H+](CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643428	1	49	0.0	-91.17	378.36	10.26	-80.91
CCN(C(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(C)(C)C(=O)[O-]	REAL300012643429	0	50	0.0	-81.24	382.68	9.58	-71.66
CCN(C(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(C)(C)C(=O)[O-]	REAL300012643429	1	50	0.0	-81.47	382.63	9.59	-71.88
CCCN(C(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(C)C(=O)[O-]	REAL300012643430	0	50	0.0	-67.84	387.01	9.35	-58.49
CCCN(C(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(C)C(=O)[O-]	REAL300012643430	1	50	0.0	-78.78	390.45	10.07	-68.71
C[N@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1=CC=C(F)C=C1	REAL300012643431	0	44	0.0	-74.98	370.45	9.12	-65.86
C[N@@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1=CC=C(F)C=C1	REAL300012643431	1	44	0.0	-74.83	370.49	9.12	-65.71
C[N@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1=CC=C(F)C=C1	REAL300012643432	0	44	0.0	-74.98	370.45	9.12	-65.86
C[N@@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1=CC=C(F)C=C1	REAL300012643432	1	44	0.0	-74.83	370.49	9.12	-65.71
CN(C(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(C)(C)C(=O)[O-]	REAL300012643433	0	47	0.0	-81.45	363.09	8.71	-72.74
CN(C(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(C)(C)C(=O)[O-]	REAL300012643433	1	47	0.0	-81.71	363.04	8.71	-73.00
C[N@H+](CCNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643434	0	45	0.0	-84.71	356.66	8.71	-76.00
C[N@@H+](CCNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643434	1	45	0.0	-84.95	356.66	8.72	-76.23
C[N@H+](CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643435	0	57	0.0	-63.84	444.16	7.09	-56.75
C[N@@H+](CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643435	1	57	0.0	-64.06	444.18	7.09	-56.97
C[N@H+](CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643436	0	46	0.0	-87.82	368.69	5.02	-82.80
C[N@@H+](CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643436	1	46	0.0	-87.57	368.75	5.04	-82.53
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1	REAL300012643437	0	52	0.0	-56.77	410.99	11.73	-45.04
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1	REAL300012643437	1	52	0.0	-57.00	411.04	11.73	-45.27
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC[N@H+](C)CC2=CC=C(F)C=C2)[C@H]1C(=O)[O-]	REAL300012643438	0	55	0.0	-67.35	421.09	11.95	-55.40
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC[N@@H+](C)CC2=CC=C(F)C=C2)[C@H]1C(=O)[O-]	REAL300012643438	1	55	0.0	-67.16	421.04	11.96	-55.20
CCC[C@@H](NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643439	0	47	0.0	-78.56	379.20	7.63	-70.93
CCC[C@@H](NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643439	1	47	0.0	-78.79	379.16	7.63	-71.16
C[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=C(F)C=C1	REAL300012643440	0	48	0.0	-80.24	394.08	8.88	-71.36
C[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=C(F)C=C1	REAL300012643440	1	48	0.0	-79.67	393.88	8.95	-70.72
C[N@H+](CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643441	0	53	0.0	-81.68	434.19	8.83	-72.85
C[N@@H+](CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643441	1	53	0.0	-81.48	434.23	8.83	-72.65
C=CCCC(NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643442	0	48	0.0	-79.21	392.21	8.13	-71.08
C=CCCC(NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643442	1	48	0.0	-78.94	392.26	8.13	-70.81
C[N@H+](CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643443	0	47	0.0	-82.60	402.85	6.81	-75.79
C[N@@H+](CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643443	1	47	0.0	-82.42	402.91	6.82	-75.60
C[N@H+](CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643444	0	48	0.0	-96.56	387.16	6.28	-90.28
C[N@@H+](CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643444	1	48	0.0	-96.55	387.22	6.27	-90.28
CN1CC(C(=O)[O-])N(C(=O)NCC[N@H+](C)CC2=CC=C(F)C=C2)CC1=O	REAL300012643445	0	49	0.0	-80.13	384.76	8.00	-72.13
CN1CC(C(=O)[O-])N(C(=O)NCC[N@@H+](C)CC2=CC=C(F)C=C2)CC1=O	REAL300012643445	1	49	0.0	-80.10	384.70	8.01	-72.09
C[N@H+](CCNC(=O)N1CCC[C@]1(C)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643446	0	48	0.0	-84.84	373.76	9.27	-75.57
C[N@@H+](CCNC(=O)N1CCC[C@]1(C)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643446	1	48	0.0	-84.58	373.81	9.27	-75.31
CC(C)[C@H](NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643447	0	47	0.0	-77.72	372.13	7.34	-70.38
CC(C)[C@H](NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643447	1	47	0.0	-77.53	372.09	7.34	-70.19
C[N@H+](CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=C(F)C=C1	REAL300012643448	0	48	0.0	-79.29	393.44	8.90	-70.39
C[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=C(F)C=C1	REAL300012643448	1	48	0.0	-80.25	394.09	8.87	-71.38
C[N@H+](CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643449	0	51	0.0	-81.73	403.52	8.21	-73.52
C[N@@H+](CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643449	1	51	0.0	-78.46	407.93	8.25	-70.21
C[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1	REAL300012643450	0	44	0.0	-76.01	349.29	7.92	-68.09
C[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1	REAL300012643450	1	44	0.0	-75.84	349.24	7.92	-67.92
CCC[C@H](NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643451	0	47	0.0	-79.36	379.45	7.56	-71.80
CCC[C@H](NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643451	1	47	0.0	-78.32	378.57	7.58	-70.74
CCN(C(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(C)C(=O)[O-]	REAL300012643452	0	47	0.0	-76.19	365.14	8.54	-67.65
CCN(C(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(C)C(=O)[O-]	REAL300012643452	1	47	0.0	-79.83	368.82	9.36	-70.47
C[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=C(F)C=C1	REAL300012643453	0	51	0.0	-61.73	392.17	10.18	-51.55
C[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=C(F)C=C1	REAL300012643453	1	51	0.0	-61.79	392.24	10.19	-51.60
CC(CN(C)C(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643454	0	47	0.0	-82.08	368.30	8.27	-73.81
CC(CN(C)C(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643454	1	47	0.0	-85.19	369.38	8.53	-76.66
CC[C@H](C)[C@H](NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643455	0	50	0.0	-78.77	387.53	7.74	-71.03
CC[C@H](C)[C@H](NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643455	1	50	0.0	-79.98	389.15	7.76	-72.22
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1	REAL300012643456	0	47	0.0	-77.49	368.37	8.79	-68.70
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1	REAL300012643456	1	47	0.0	-76.79	368.29	8.94	-67.85
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(CO)C1)CC1=CC=C(F)C=C1	REAL300012643457	0	49	0.0	-83.13	391.30	4.81	-78.32
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(CO)C1)CC1=CC=C(F)C=C1	REAL300012643457	1	49	0.0	-82.96	391.35	4.82	-78.14
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643458	0	57	0.0	-79.74	438.39	7.98	-71.76
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643458	1	57	0.0	-79.50	438.35	7.98	-71.52
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CC1CCC(NC(=O)NCC[N@@H+](C)CC2=CC=C(F)C=C2)(C(=O)[O-])C1	REAL300012643459	1	51	0.0	-82.43	393.97	8.54	-73.89
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C)CC1=CC=C(F)C=C1	REAL300012643460	0	54	0.0	-82.12	403.44	9.27	-72.85
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C)CC1=CC=C(F)C=C1	REAL300012643460	1	54	0.0	-82.33	403.49	9.27	-73.06
COCCC(NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643461	0	48	0.0	-79.54	391.62	5.87	-73.67
COCCC(NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643461	1	48	0.0	-79.28	391.33	5.92	-73.36
CN(C(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012643462	0	54	0.0	-79.12	425.45	11.84	-67.28
CN(C(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012643462	1	54	0.0	-79.27	425.41	11.84	-67.43
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)CC1=CC=C(F)C=C1	REAL300012643463	0	51	0.0	-83.92	395.47	9.23	-74.69
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)CC1=CC=C(F)C=C1	REAL300012643463	1	51	0.0	-83.65	395.51	9.23	-74.42
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1(C)CC1)CC1=CC=C(F)C=C1	REAL300012643464	0	48	0.0	-80.77	379.35	8.14	-72.63
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1(C)CC1)CC1=CC=C(F)C=C1	REAL300012643464	1	48	0.0	-80.51	386.77	7.88	-72.63
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643465	0	57	0.0	-80.81	442.51	8.04	-72.77
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643465	1	57	0.0	-80.89	442.45	8.04	-72.85
C[N@H+](CCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643466	0	46	0.0	-90.79	367.31	5.21	-85.58
C[N@@H+](CCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643466	1	46	0.0	-90.91	367.41	5.20	-85.71
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCOC1)CC1=CC=C(F)C=C1	REAL300012643467	0	49	0.0	-79.54	384.68	5.85	-73.69
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCOC1)CC1=CC=C(F)C=C1	REAL300012643467	1	49	0.0	-79.33	384.73	5.84	-73.49
C[N@H+](CCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643468	0	49	0.0	-89.07	378.38	9.86	-79.21
C[N@@H+](CCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643468	1	49	0.0	-89.27	378.32	9.86	-79.41
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C21)CC1=CC=C(F)C=C1	REAL300012643469	0	52	0.0	-86.61	425.59	8.95	-77.66
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C21)CC1=CC=C(F)C=C1	REAL300012643469	1	52	0.0	-87.40	425.80	9.01	-78.39
C[N@H+](CCNC(=O)N1CC2CC1(C(=O)[O-])CO2)CC1=CC=C(F)C=C1	REAL300012643470	0	47	0.0	-86.19	371.26	7.54	-78.65
C[N@@H+](CCNC(=O)N1CC2CC1(C(=O)[O-])CO2)CC1=CC=C(F)C=C1	REAL300012643470	1	47	0.0	-86.45	371.35	7.53	-78.92
CC1CCC(C(=O)[O-])N(C(=O)NCC[N@H+](C)CC2=CC=C(F)C=C2)C1	REAL300012643471	0	51	0.0	-87.84	388.89	10.57	-77.27
CC1CCC(C(=O)[O-])N(C(=O)NCC[N@@H+](C)CC2=CC=C(F)C=C2)C1	REAL300012643471	1	51	0.0	-87.83	388.83	10.56	-77.27
CC(C1=CC=CC=C1)C(NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643472	0	54	0.0	-78.50	431.27	10.14	-68.36
CC(C1=CC=CC=C1)C(NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643472	1	54	0.0	-80.36	433.06	10.22	-70.14
C[N@H+](CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643473	0	55	0.0	-78.57	429.76	9.95	-68.62
C[N@@H+](CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643473	1	55	0.0	-79.28	426.17	10.61	-68.67
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCC1)CC1=CC=C(F)C=C1	REAL300012643474	0	48	0.0	-79.38	377.56	7.76	-71.62
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCC1)CC1=CC=C(F)C=C1	REAL300012643474	1	48	0.0	-79.01	382.83	7.86	-71.15
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCC1)CC1=CC=C(F)C=C1	REAL300012643475	0	54	0.0	-80.33	410.97	9.08	-71.25
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCC1)CC1=CC=C(F)C=C1	REAL300012643475	1	54	0.0	-81.10	411.64	9.01	-72.09
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCC1)CC1=CC=C(F)C=C1	REAL300012643476	0	48	0.0	-79.38	377.56	7.76	-71.62
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCC1)CC1=CC=C(F)C=C1	REAL300012643476	1	48	0.0	-79.01	382.83	7.86	-71.15
CC1CCN(C(=O)NCC[N@H+](C)CC2=CC=C(F)C=C2)C1C(=O)[O-]	REAL300012643477	0	48	0.0	-86.33	378.07	9.02	-77.31
CC1CCN(C(=O)NCC[N@@H+](C)CC2=CC=C(F)C=C2)C1C(=O)[O-]	REAL300012643477	1	48	0.0	-86.10	378.01	9.03	-77.07
C=CCC(NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643478	0	45	0.0	-79.13	371.18	7.26	-71.87
C=CCC(NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643478	1	45	0.0	-78.94	371.22	7.26	-71.68
C[N@H+](CCNC(=O)NC(CC1CCCCO1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643479	0	55	0.0	-82.10	431.27	7.99	-74.11
C[N@@H+](CCNC(=O)NC(CC1CCCCO1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643479	1	55	0.0	-78.33	430.20	8.53	-69.80
C[N@H+](CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)CC1=CC=C(F)C=C1	REAL300012643480	0	55	0.0	-54.44	403.73	10.56	-43.88
C[N@@H+](CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)CC1=CC=C(F)C=C1	REAL300012643480	1	55	0.0	-54.14	403.81	10.54	-43.60
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)CC1=CC=C(F)C=C1	REAL300012643481	0	55	0.0	-83.11	407.94	7.82	-75.29
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)CC1=CC=C(F)C=C1	REAL300012643481	1	55	0.0	-82.85	408.00	7.83	-75.02
CC1=CC=CC2=C1CCN(C(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C2C(=O)[O-]	REAL300012643482	0	55	0.0	-68.00	426.41	11.86	-56.14
CC1=CC=CC2=C1CCN(C(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C2C(=O)[O-]	REAL300012643482	1	55	0.0	-68.25	426.47	11.86	-56.39
C[N@H+](CCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643483	0	49	0.0	-56.93	379.68	9.73	-47.20
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C[N@H+](CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643484	0	55	0.0	-78.57	429.76	9.95	-68.62
C[N@@H+](CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643484	1	55	0.0	-79.28	426.17	10.61	-68.67
C[N@H+](CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643485	0	51	0.0	-82.40	422.51	9.95	-72.45
C[N@@H+](CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643485	1	51	0.0	-82.15	422.55	9.95	-72.20
COC1CC(NC(=O)NCC[N@H+](C)CC2=CC=C(F)C=C2)(C(=O)[O-])C1	REAL300012643486	0	49	0.0	-85.86	392.45	6.49	-79.37
COC1CC(NC(=O)NCC[N@@H+](C)CC2=CC=C(F)C=C2)(C(=O)[O-])C1	REAL300012643486	1	49	0.0	-85.97	392.40	6.48	-79.49
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)CC1=CC=C(F)C=C1	REAL300012643487	0	45	0.0	-82.02	367.46	7.54	-74.48
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)CC1=CC=C(F)C=C1	REAL300012643487	1	45	0.0	-81.86	367.51	7.55	-74.31
CO[C@H]1C[C@](NC(=O)NCC[N@H+](C)CC2=CC=C(F)C=C2)(C(=O)[O-])C1	REAL300012643488	0	49	0.0	-80.25	391.05	6.77	-73.48
CO[C@H]1C[C@](NC(=O)NCC[N@@H+](C)CC2=CC=C(F)C=C2)(C(=O)[O-])C1	REAL300012643488	1	49	0.0	-79.18	390.66	6.39	-72.79
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)CC1=CC=C(F)C=C1	REAL300012643489	0	48	0.0	-82.84	398.01	8.57	-74.27
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)CC1=CC=C(F)C=C1	REAL300012643489	1	48	0.0	-73.48	398.46	8.31	-65.17
CCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1	REAL300012643490	0	51	0.0	-87.24	387.11	10.50	-76.74
CCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1	REAL300012643490	1	51	0.0	-87.42	387.06	10.49	-76.93
C[N@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643491	0	44	0.0	-73.16	373.60	7.57	-65.59
C[N@@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643491	1	44	0.0	-73.62	373.88	7.50	-66.12
C[N@H+](CCNC(=O)NC(CC1CCOC1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643492	0	52	0.0	-82.05	411.71	6.81	-75.24
C[N@@H+](CCNC(=O)NC(CC1CCOC1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643492	1	52	0.0	-78.47	409.62	6.52	-71.95
C[N@H+](CCNC(=O)NC1(C(=O)[O-])COC1)CC1=CC=C(F)C=C1	REAL300012643493	0	43	0.0	-77.44	350.01	4.55	-72.89
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])COC1)CC1=CC=C(F)C=C1	REAL300012643493	1	43	0.0	-77.64	350.06	4.54	-73.10
C[N@H+](CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643494	0	48	0.0	-79.57	407.37	8.89	-70.68
C[N@@H+](CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643494	1	48	0.0	-79.82	407.41	8.89	-70.93
CC(C)C(C)(NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643495	0	50	0.0	-78.72	377.01	7.80	-70.92
CC(C)C(C)(NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643495	1	50	0.0	-78.70	376.96	7.80	-70.90
C[N@H+](CCNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643496	0	46	0.0	-87.97	362.73	9.85	-78.12
C[N@@H+](CCNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643496	1	46	0.0	-89.31	364.39	9.88	-79.43
C[N@H+](CCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643497	0	49	0.0	-86.84	379.91	9.48	-77.36
C[N@@H+](CCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643497	1	49	0.0	-86.68	379.96	9.48	-77.20
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1	REAL300012643498	0	54	0.0	-53.69	426.86	12.46	-41.23
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1	REAL300012643498	1	54	0.0	-53.27	426.45	12.50	-40.77
C[N@H+](CCNC(=O)NC(CC1CCCCC1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643499	0	57	0.0	-79.95	438.23	10.01	-69.94
C[N@@H+](CCNC(=O)NC(CC1CCCCC1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643499	1	57	0.0	-79.79	438.28	10.01	-69.78
C[N@H+](CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643500	0	54	0.0	-79.59	438.48	10.60	-68.99
C[N@@H+](CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643500	1	54	0.0	-79.77	438.52	10.60	-69.17
C[N@H+](CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643501	0	54	0.0	-80.48	439.31	10.60	-69.88
C[N@@H+](CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643501	1	54	0.0	-80.29	439.36	10.61	-69.68
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C[N@@H+](CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643503	1	57	0.0	-79.27	438.07	10.08	-69.19
C[N@H+](CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643504	0	57	0.0	-79.77	438.28	10.01	-69.76
C[N@@H+](CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643504	1	57	0.0	-79.23	437.44	10.01	-69.22
C[N@H+](CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643505	0	55	0.0	-56.66	419.32	10.63	-46.03
C[N@@H+](CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643505	1	55	0.0	-56.24	418.54	10.68	-45.56
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C[N@H+](CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)CC1=CC=C(F)C=C1	REAL300012643525	0	52	0.0	-81.86	401.66	9.13	-72.73
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C[N@@H+](CCNC(=O)N1CCC(F)(F)C1C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643534	1	45	0.0	-89.35	368.39	8.86	-80.49
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C[N@@H+](CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643539	1	48	0.0	-79.15	406.37	8.74	-70.41
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COCCCC(NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643541	1	51	0.0	-78.00	412.83	6.70	-71.30
CCCC(C(=O)[O-])N(C)C(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1	REAL300012643542	0	50	0.0	-76.39	390.41	9.60	-66.79
CCCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1	REAL300012643542	1	50	0.0	-76.48	390.88	9.71	-66.77
CCOCC(NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643543	0	48	0.0	-80.78	391.66	6.02	-74.76
CCOCC(NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012643543	1	48	0.0	-80.97	391.62	6.01	-74.96
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C[N@@H+](CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643544	1	53	0.0	-79.17	407.91	9.22	-69.95
C[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCO1)CC1=CC=C(F)C=C1	REAL300012643545	0	52	0.0	-81.11	406.63	6.96	-74.15
C[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCO1)CC1=CC=C(F)C=C1	REAL300012643545	1	52	0.0	-82.14	408.45	6.94	-75.20
C[N@H+](CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)CC1=CC=C(F)C=C1	REAL300012643546	0	52	0.0	-82.16	413.40	10.20	-71.96
C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)CC1=CC=C(F)C=C1	REAL300012643546	1	52	0.0	-81.97	413.46	10.20	-71.77
C[C@H]1OCCN(C(=O)NCC[N@H+](C)CC2=CC=C(F)C=C2)[C@@H]1C(=O)[O-]	REAL300012643547	0	49	0.0	-85.03	378.73	7.97	-77.06
C[C@H]1OCCN(C(=O)NCC[N@@H+](C)CC2=CC=C(F)C=C2)[C@@H]1C(=O)[O-]	REAL300012643547	1	49	0.0	-87.04	379.32	8.29	-78.75
C[N@H+](CCNC(=O)NC(CCC#N)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643548	0	45	0.0	-81.02	378.52	7.36	-73.66
C[N@@H+](CCNC(=O)NC(CCC#N)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643548	1	45	0.0	-80.82	378.56	7.36	-73.46
C[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1)CC1=CC=C(F)C=C1	REAL300012643549	0	48	0.0	-63.69	396.49	9.75	-53.94
C[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1)CC1=CC=C(F)C=C1	REAL300012643549	1	48	0.0	-63.88	396.50	9.75	-54.13
C[C@H](C(=O)[O-])N(C)C(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1	REAL300012643550	0	44	0.0	-76.68	347.93	7.72	-68.96
C[C@H](C(=O)[O-])N(C)C(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1	REAL300012643550	1	44	0.0	-76.40	347.86	7.80	-68.60
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+](C)CC2=CC=C(F)C=C2)C1	REAL300012643551	0	52	0.0	-85.67	412.56	8.39	-77.28
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+](C)CC2=CC=C(F)C=C2)C1	REAL300012643551	1	52	0.0	-85.53	412.50	8.38	-77.15
C=CCOCC(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300012643944	0	46	0.0	-75.51	375.82	3.19	-72.32
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012643945	0	49	0.0	-73.20	373.71	3.19	-70.01
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012643946	0	45	0.0	-65.37	377.86	5.67	-59.70
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012643947	0	45	0.0	-65.20	387.75	6.12	-59.08
COC1CCN(C(=O)NCCOCC[NH+](C)C)C(C(=O)[O-])C1	REAL300012643948	0	49	0.0	-83.23	371.29	5.35	-77.88
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012643949	0	49	0.0	-68.18	373.09	3.29	-64.89
CC1CCN(C(=O)NCCOCC[NH+](C)C)C(C(=O)[O-])C1	REAL300012643950	0	48	0.0	-81.70	359.76	6.94	-74.76
CC1=CC(C(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300012643951	0	48	0.0	-68.42	392.10	6.18	-62.24
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012643952	0	50	0.0	-71.47	401.05	5.39	-66.08
CC1=CC(C)=CC(C(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])=C1	REAL300012643953	0	51	0.0	-72.67	408.22	6.79	-65.88
CC1=CC=C(C(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])C=C1C	REAL300012643954	0	51	0.0	-76.19	403.79	6.67	-69.52
COC1=CC=C(C(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300012643955	0	49	0.0	-71.59	410.89	5.32	-66.27
CC1=CC=CC(C(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])=C1C	REAL300012643956	0	51	0.0	-71.48	395.99	6.54	-64.94
COC1=CC=C(C(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])C=C1F	REAL300012643957	0	49	0.0	-72.07	400.85	4.92	-67.15
C[NH+](C)CCOCCNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012643958	0	51	0.0	-49.88	418.85	8.92	-40.96
CC(C(=O)[O-])N(C(=O)NCCOCC[NH+](C)C)C1CCC1	REAL300012643959	0	48	0.0	-47.83	357.27	7.17	-40.66
CCCN(C(=O)NCCOCC[NH+](C)C)C(COC)C(=O)[O-]	REAL300012643960	0	51	0.0	-73.41	386.41	5.57	-67.84
CCCN(C(=O)NCCOCC[NH+](C)C)C(CC)C(=O)[O-]	REAL300012643961	0	50	0.0	-72.34	376.10	7.02	-65.32
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012643962	0	45	0.0	-71.24	381.89	6.06	-65.18
C[NH+](C)CCOCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012643963	0	43	0.0	-80.31	338.71	6.32	-73.99
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012643964	0	48	0.0	-74.21	358.75	5.60	-68.61
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012643965	0	51	0.0	-74.79	364.39	6.28	-68.51
C[NH+](C)CCOCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012643966	0	48	0.0	-77.06	387.59	6.41	-70.65
C[NH+](C)CCOCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012643967	0	48	0.0	-52.30	380.05	7.92	-44.38
C[NH+](C)CCOCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012643968	0	45	0.0	-71.56	365.16	5.54	-66.02
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012643969	0	45	0.0	-75.30	365.37	5.48	-69.82
C[NH+](C)CCOCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012643970	0	48	0.0	-77.06	387.59	6.41	-70.65
C[NH+](C)CCOCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012643971	0	49	0.0	-83.28	376.75	8.45	-74.83
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012643972	0	42	0.0	-73.21	356.74	4.62	-68.59
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012643973	0	48	0.0	-74.21	358.75	5.60	-68.61
C[NH+](C)CCOCCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012643974	0	48	0.0	-50.06	396.82	8.44	-41.62
C[NH+](C)CCOCCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012643975	0	52	0.0	-78.64	415.85	6.51	-72.13
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCCOCC[NH+](C)C)=C1	REAL300012643976	0	56	0.0	-64.55	439.08	6.53	-58.02
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012643977	0	45	0.0	-71.11	386.46	6.17	-64.94
C[NH+](C)CCOCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012643978	0	48	0.0	-50.50	386.51	7.99	-42.51
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012643979	0	49	0.0	-73.93	383.33	6.65	-67.28
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012643980	0	45	0.0	-71.36	376.15	5.64	-65.72
C[NH+](C)CCOCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012643981	0	48	0.0	-73.19	373.18	6.24	-66.95
CCCCCCC(C)(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300012643982	0	56	0.0	-74.90	419.37	6.84	-68.06
CN(C(=O)NCCOCC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012643983	0	51	0.0	-68.79	398.19	8.37	-60.42
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012643984	0	45	0.0	-71.24	381.89	6.06	-65.18
CN(C(=O)NCCOCC[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300012643985	0	51	0.0	-81.12	368.00	6.92	-74.20
C[NH+](C)CCOCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012643986	0	51	0.0	-54.09	403.34	8.78	-45.31
CN(C(=O)NCCOCC[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012643987	0	48	0.0	-72.06	372.60	7.05	-65.01
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012643988	0	49	0.0	-81.55	380.40	6.59	-74.96
C[NH+](C)CCOCCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012643989	0	52	0.0	-78.29	421.55	6.35	-71.94
C[NH+](C)CCOCCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012643990	0	48	0.0	-82.56	352.27	6.90	-75.66
C[NH+](C)CCOCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012643991	0	51	0.0	-54.09	403.34	8.78	-45.31
C[NH+](C)CCOCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012643992	0	48	0.0	-52.81	363.49	6.78	-46.03
CCCCCC(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300012643993	0	50	0.0	-74.17	393.72	5.71	-68.46
CCC1CCC(NC(=O)NCCOCC[NH+](C)C)(C(=O)[O-])CC1	REAL300012643994	0	54	0.0	-74.12	397.81	6.85	-67.27
C[NH+](C)CCOCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012643995	0	49	0.0	-53.70	371.92	5.10	-48.60
CN(C(=O)NCCOCC[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300012643996	0	48	0.0	-81.76	354.67	6.21	-75.55
CCC(C(=O)[O-])N(C(=O)NCCOCC[NH+](C)C)C1CC1	REAL300012643997	0	48	0.0	-74.15	361.44	6.82	-67.33
C[NH+](C)CCOCCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012643998	0	48	0.0	-66.76	404.98	7.25	-59.51
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012643999	0	45	0.0	-77.14	377.33	5.89	-71.25
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012644000	0	45	0.0	-80.56	369.55	5.62	-74.94
C[NH+](C)CCOCCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012644001	0	49	0.0	-57.03	380.30	7.89	-49.14
C[NH+](C)CCOCCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012644002	0	48	0.0	-67.91	397.91	6.44	-61.47
C[NH+](C)CCOCCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012644003	0	54	0.0	-75.13	431.33	8.47	-66.66
C[NH+](C)CCOCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012644004	0	54	0.0	-75.02	409.24	6.69	-68.33
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCOCC[NH+](C)C	REAL300012644005	0	51	0.0	-53.83	397.89	8.92	-44.91
CC1=CC=C(C(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])C=C1	REAL300012644006	0	48	0.0	-71.68	386.55	6.22	-65.46
C[NH+](C)CCOCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012644007	0	41	0.0	-67.37	344.32	4.11	-63.26
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012644008	0	51	0.0	-76.48	411.13	7.79	-68.69
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012644009	0	46	0.0	-74.39	356.42	5.27	-69.12
CCOCC(C(=O)[O-])N(C)C(=O)NCCOCC[NH+](C)C	REAL300012644010	0	48	0.0	-70.85	371.85	4.88	-65.97
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCOCC[NH+](C)C	REAL300012644011	0	54	0.0	-50.00	408.44	8.81	-41.19
C[NH+](C)CCOCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012644012	0	44	0.0	-61.04	366.78	6.35	-54.69
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012644013	0	51	0.0	-71.22	382.30	5.67	-65.55
C[NH+](C)CCOCCNC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012644014	0	48	0.0	-71.43	420.82	7.51	-63.92
CN(C(=O)NCCOCC[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300012644015	0	52	0.0	-67.58	398.41	6.16	-61.42
C[NH+](C)CCOCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012644016	0	52	0.0	-86.31	404.48	9.41	-76.90
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012644017	0	46	0.0	-77.71	350.16	3.10	-74.61
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCOCC[NH+](C)C	REAL300012644018	0	51	0.0	-47.57	395.47	9.21	-38.36
COC1=CC=C(C(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])C=C1	REAL300012644019	0	49	0.0	-71.27	394.66	4.84	-66.43
CCC(COC)(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300012644020	0	48	0.0	-75.84	368.04	3.97	-71.87
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCOCC[NH+](C)C	REAL300012644021	0	51	0.0	-71.12	392.13	5.62	-65.50
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012644022	0	48	0.0	-75.38	375.28	1.60	-73.78
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCOCC[NH+](C)C	REAL300012644023	0	50	0.0	-71.83	378.40	6.97	-64.86
CCCC1(C(=O)[O-])CCCN1C(=O)NCCOCC[NH+](C)C	REAL300012644024	0	51	0.0	-84.29	379.69	7.84	-76.45
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCOCC[NH+](C)C	REAL300012644025	0	51	0.0	-58.08	394.87	9.05	-49.03
CCC(NC(=O)NCCOCC[NH+](C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012644026	0	51	0.0	-70.50	406.89	7.66	-62.84
CCC(NC(=O)NCCOCC[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012644027	0	51	0.0	-77.28	390.04	7.11	-70.17
COC1CCCC(C(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])C1	REAL300012644028	0	55	0.0	-74.65	414.74	4.68	-69.97
COC1(CC(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])CCC1	REAL300012644029	0	52	0.0	-72.54	400.96	4.40	-68.14
C[NH+](C)CCOCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012644030	0	49	0.0	-53.70	371.92	5.10	-48.60
C[NH+](C)CCOCCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012644031	0	51	0.0	-53.42	380.87	7.48	-45.94
C[C@H]1CC[C@@](NC(=O)NCCOCC[NH+](C)C)(C(=O)[O-])CC1	REAL300012644032	0	51	0.0	-79.43	372.54	5.98	-73.45
COC1=CC=CC(C(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])=C1	REAL300012644033	0	49	0.0	-74.49	394.88	4.75	-69.74
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012644034	0	45	0.0	-76.18	380.49	5.96	-70.22
C[NH+](C)CCOCCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012644035	0	46	0.0	-64.77	362.14	5.95	-58.82
C[NH+](C)CCOCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012644036	0	42	0.0	-70.63	341.72	5.17	-65.46
COC1=CC=CC([C@H](NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])=C1	REAL300012644037	0	49	0.0	-77.52	394.85	4.76	-72.76
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCOCC[NH+](C)C)C1	REAL300012644038	0	51	0.0	-81.48	393.86	7.20	-74.28
COC1=CC=CC(CC(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])=C1	REAL300012644039	0	52	0.0	-75.70	416.86	5.78	-69.92
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012644040	0	54	0.0	-75.54	386.66	6.48	-69.06
C[NH+](C)CCOCCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012644041	0	51	0.0	-69.64	407.50	7.12	-62.52
C[NH+](C)CCOCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012644042	0	50	0.0	-71.86	401.40	6.91	-64.95
COC1CN(C(=O)NCCOCC[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012644043	0	49	0.0	-75.97	378.36	4.85	-71.12
C[NH+](C)CCOCCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012644044	0	52	0.0	-69.64	400.37	4.30	-65.34
C=C(Cl)CC(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300012644045	0	42	0.0	-74.93	358.49	4.45	-70.48
C[NH+](C)CCOCCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012644046	0	51	0.0	-70.19	397.19	6.67	-63.52
C[NH+](C)CCOCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012644047	0	42	0.0	-73.20	340.93	5.49	-67.71
C[NH+](C)CCOCCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012644048	0	52	0.0	-69.22	396.23	4.94	-64.28
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012644049	0	49	0.0	-73.20	373.71	3.19	-70.01
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012644050	0	45	0.0	-75.30	365.37	5.48	-69.82
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012644051	0	48	0.0	-70.99	404.09	6.46	-64.53
C[NH+](C)CCOCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012644052	0	44	0.0	-70.04	374.15	3.61	-66.43
CC(C)CCCC(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300012644053	0	53	0.0	-73.65	410.45	6.23	-67.42
C[NH+](C)CCOCCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012644054	0	51	0.0	-79.40	416.88	6.94	-72.46
C[NH+](C)CCOCCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012644055	0	49	0.0	-74.20	385.17	3.83	-70.37
C[NH+](C)CCOCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012644056	0	48	0.0	-69.14	393.76	6.54	-62.60
CCC(C)CC(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300012644057	0	50	0.0	-74.07	385.31	5.37	-68.70
C=CCCCC(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300012644058	0	48	0.0	-69.42	384.79	5.56	-63.86
C[NH+](C)CCOCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012644059	0	48	0.0	-73.96	394.00	6.48	-67.48
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012644060	0	51	0.0	-75.62	406.22	7.64	-67.98
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012644061	0	49	0.0	-78.46	408.70	5.44	-73.02
C[NH+](C)CCOCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012644062	0	43	0.0	-80.31	338.71	6.32	-73.99
C[NH+](C)CCOCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012644063	0	48	0.0	-73.19	373.18	6.24	-66.95
C[NH+](C)CCOCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012644064	0	41	0.0	-65.82	341.74	5.72	-60.10
C[NH+](C)CCOCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012644065	0	41	0.0	-65.82	341.74	5.72	-60.10
C[NH+](C)CCOCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012644066	0	54	0.0	-61.87	415.50	3.69	-58.18
CN1CCN(CCN(CC(=O)[O-])C(=O)NCCOCC[NH+](C)C)CC1	REAL300012644067	1	58	0.0	-54.09	434.32	3.17	-50.92
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCOCC[NH+](C)C	REAL300012644068	0	49	0.0	-59.37	383.72	8.25	-51.12
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCOCC[NH+](C)C)[C@H]1C(=O)[O-]	REAL300012644069	0	52	0.0	-64.29	392.29	8.55	-55.74
C[NH+](C)CCOCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012644070	0	50	0.0	-75.67	385.02	6.63	-69.04
C[NH+](C)CCOCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012644071	0	45	0.0	-71.56	365.16	5.54	-66.02
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012644072	0	48	0.0	-67.55	404.12	6.47	-61.08
C[NH+](C)CCOCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012644073	0	50	0.0	-75.95	405.51	5.41	-70.54
C[NH+](C)CCOCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012644074	0	44	0.0	-72.90	374.42	3.41	-69.49
C[NH+](C)CCOCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012644075	0	45	0.0	-70.27	393.69	5.22	-65.05
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012644076	0	42	0.0	-71.04	377.43	5.23	-65.81
C[NH+](C)CCOCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012644077	0	45	0.0	-89.72	358.26	2.87	-86.85
CN1CC(C(=O)[O-])N(C(=O)NCCOCC[NH+](C)C)CC1=O	REAL300012644078	0	46	0.0	-73.89	356.14	4.56	-69.33
C[NH+](C)CCOCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012644079	0	45	0.0	-75.32	365.35	5.47	-69.85
C[NH+](C)CCOCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012644080	0	48	0.0	-74.50	374.84	4.79	-69.71
C[NH+](C)CCOCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012644081	0	48	0.0	-52.81	363.49	6.78	-46.03
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012644082	0	46	0.0	-84.24	360.88	1.29	-82.95
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300012644083	0	54	0.0	-77.27	411.75	4.70	-72.57
CC1CCC(NC(=O)NCCOCC[NH+](C)C)(C(=O)[O-])C1	REAL300012644084	0	48	0.0	-74.63	365.28	5.14	-69.49
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012644085	0	51	0.0	-75.29	373.16	5.76	-69.53
CN(C(=O)NCCOCC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012644086	0	51	0.0	-68.79	398.19	8.37	-60.42
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012644087	0	48	0.0	-80.21	366.55	5.81	-74.40
CC1CCC(NC(=O)NCCOCC[NH+](C)C)(C(=O)[O-])C2=CC=CC=C21	REAL300012644088	0	55	0.0	-82.39	414.36	7.83	-74.56
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300012644089	0	54	0.0	-71.05	413.07	4.68	-66.37
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012644090	0	59	0.0	-80.73	464.91	7.71	-73.02
C[NH+](C)CCOCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012644091	0	53	0.0	-64.60	407.50	9.04	-55.56
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012644092	0	46	0.0	-72.47	363.76	2.53	-69.94
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012644093	0	49	0.0	-79.10	397.06	5.60	-73.50
C[NH+](C)CCOCCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012644094	0	44	0.0	-79.81	342.74	4.13	-75.68
CC1CCC(C(=O)[O-])N(C(=O)NCCOCC[NH+](C)C)C1	REAL300012644095	0	48	0.0	-83.29	360.00	7.18	-76.11
CC(C1=CC=CC=C1)C(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300012644096	0	51	0.0	-70.11	402.87	6.74	-63.37
C[NH+](C)CCOCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012644097	0	52	0.0	-69.71	397.45	7.21	-62.50
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012644098	0	58	0.0	-72.69	422.41	6.17	-66.52
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012644099	0	51	0.0	-71.22	382.30	5.67	-65.55
C[NH+](C)CCOCCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012644100	0	52	0.0	-78.00	402.61	4.58	-73.42
C[NH+](C)CCOCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012644101	0	52	0.0	-48.52	375.07	7.13	-41.39
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012644102	0	52	0.0	-74.20	379.27	4.41	-69.79
C[NH+](C)CCOCCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012644103	0	51	0.0	-71.95	425.60	7.73	-64.22
CC1=CC=CC2=C1CCN(C(=O)NCCOCC[NH+](C)C)C2C(=O)[O-]	REAL300012644104	0	52	0.0	-87.61	393.28	8.96	-78.65
C[NH+](C)CCOCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012644105	0	52	0.0	-69.71	397.45	7.21	-62.50
C[NH+](C)CCOCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012644106	0	48	0.0	-72.97	394.06	6.48	-66.49
COC1CC(NC(=O)NCCOCC[NH+](C)C)(C(=O)[O-])C1	REAL300012644107	0	46	0.0	-77.85	363.81	3.07	-74.78
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012644108	0	42	0.0	-73.72	338.77	4.14	-69.58
CO[C@H]1C[C@](NC(=O)NCCOCC[NH+](C)C)(C(=O)[O-])C1	REAL300012644109	0	46	0.0	-77.16	362.30	3.36	-73.80
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012644110	0	45	0.0	-71.48	367.19	5.16	-66.32
CCC1(C(=O)[O-])CCCN1C(=O)NCCOCC[NH+](C)C	REAL300012644111	0	48	0.0	-77.04	360.88	7.01	-70.03
C[NH+](C)CCOCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012644112	0	41	0.0	-67.37	344.32	4.11	-63.26
C[NH+](C)CCOCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012644113	0	49	0.0	-70.15	384.11	3.45	-66.70
C[NH+](C)CCOCCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012644114	0	45	0.0	-69.13	379.83	5.42	-63.71
COCC(NC(=O)NCCOCC[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012644115	0	52	0.0	-75.41	406.14	5.44	-69.97
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCOCC[NH+](C)C	REAL300012644116	0	51	0.0	-58.08	394.87	9.05	-49.03
C[NH+](C)CCOCCNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012644117	0	52	0.0	-71.40	426.59	6.06	-65.34
C[NH+](C)CCOCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012644118	0	54	0.0	-75.02	409.24	6.69	-68.33
C[NH+](C)CCOCCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012644119	0	51	0.0	-75.04	410.63	7.18	-67.86
C[NH+](C)CCOCCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012644120	0	51	0.0	-70.61	410.39	7.24	-63.37
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012644121	0	52	0.0	-76.61	390.77	6.19	-70.42
C[NH+](C)CCOCCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012644122	0	54	0.0	-70.07	409.20	6.72	-63.35
C[NH+](C)CCOCCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012644123	0	54	0.0	-75.48	409.60	6.59	-68.89
C[NH+](C)CCOCCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012644124	0	52	0.0	-59.41	390.64	7.23	-52.18
C[NH+](C)CCOCCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012644125	0	52	0.0	-79.16	385.46	7.08	-72.08
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012644126	0	52	0.0	-75.77	429.52	6.09	-69.68
COC1=CC=C(CC(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])C=C1	REAL300012644127	0	52	0.0	-72.59	417.15	5.70	-66.89
C=CCSCC(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300012644128	0	46	0.0	-71.44	386.97	5.27	-66.17
C[NH+](C)CCOCCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012644129	0	49	0.0	-70.75	408.44	6.81	-63.94
C[NH+](C)CCOCCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012644130	0	52	0.0	-83.91	419.73	6.62	-77.29
COC1=CC=C2NC=C(CC(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])C2=C1	REAL300012644131	0	56	0.0	-81.41	446.00	5.82	-75.59
COC1(C(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])CCC1	REAL300012644132	0	49	0.0	-71.37	376.16	3.02	-68.35
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012644133	0	51	0.0	-74.77	391.14	6.44	-68.33
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012644134	0	52	0.0	-79.98	396.66	7.53	-72.45
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012644135	0	45	0.0	-74.36	364.30	5.00	-69.36
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012644137	0	57	0.0	-74.94	441.60	7.79	-67.15
CC(C)C1=CC=C(C(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])C=C1	REAL300012644138	0	54	0.0	-74.91	425.60	7.41	-67.50
C[NH+](C)CCOCCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012644139	0	48	0.0	-78.80	364.12	5.96	-72.84
CCOC1=CC=C(C(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-])C=C1	REAL300012644140	0	52	0.0	-74.36	416.49	5.78	-68.58
C[NH+](C)CCOCCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012644141	0	52	0.0	-81.73	384.45	8.01	-73.72
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012644142	0	52	0.0	-71.33	407.40	7.48	-63.85
C[NH+](C)CCOCCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012644143	0	52	0.0	-76.81	407.81	6.51	-70.30
C[NH+](C)CCOCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012644144	0	48	0.0	-79.10	401.61	6.39	-72.71
CC(C)CCC(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300012644145	0	50	0.0	-74.29	389.78	5.46	-68.83
C[NH+](C)CCOCCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012644146	0	49	0.0	-50.70	374.86	6.80	-43.90
C[NH+](C)CCOCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012644147	0	49	0.0	-70.15	384.11	3.45	-66.70
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCOCC[NH+](C)C)C1	REAL300012644148	0	46	0.0	-78.46	371.05	6.50	-71.96
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012644149	0	49	0.0	-73.82	367.29	5.99	-67.83
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012644150	0	49	0.0	-74.65	372.98	5.72	-68.93
CN(C(=O)NCCOCC[NH+](C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012644151	0	51	0.0	-68.51	398.16	8.46	-60.05
C[NH+](C)CCOCCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012644152	0	55	0.0	-60.09	406.40	7.70	-52.39
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012644153	0	48	0.0	-74.96	365.55	4.95	-70.01
C[NH+](C)CCOCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012644154	0	48	0.0	-52.30	380.05	7.92	-44.38
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012644155	0	55	0.0	-75.26	439.33	8.95	-66.31
C[NH+](C)CCOCCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012644156	0	48	0.0	-50.75	367.84	6.10	-44.65
C[NH+](C)CCOCCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012644157	0	49	0.0	-60.22	392.24	7.91	-52.31
C[NH+](C)CCOCCNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012644158	0	51	0.0	-72.16	411.84	7.26	-64.90
C[NH+](C)CCOCCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012644159	0	45	0.0	-79.31	350.33	6.44	-72.87
C[NH+](C)CCOCCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012644160	0	42	0.0	-83.86	339.66	5.46	-78.40
C[NH+](C)CCOCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012644161	0	48	0.0	-72.97	394.06	6.48	-66.49
C[NH+](C)CCOCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012644162	0	45	0.0	-69.99	378.47	5.34	-64.65
C[NH+](C)CCOCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012644163	0	45	0.0	-72.93	357.17	5.98	-66.95
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012644164	0	49	0.0	-75.90	392.38	6.15	-69.75
C[NH+](C)CCOCCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012644165	0	53	0.0	-80.85	416.39	7.79	-73.06
C[NH+](C)CCOCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012644166	0	45	0.0	-69.99	378.47	5.34	-64.65
C[NH+](C)CCOCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012644167	0	49	0.0	-79.80	366.41	6.69	-73.11
COCCCC(NC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300012644168	0	48	0.0	-73.18	384.39	3.22	-69.96
C[NH+](C)CCOCCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012644169	0	50	0.0	-69.99	379.81	5.85	-64.14
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012644170	0	49	0.0	-77.64	380.47	3.95	-73.69
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012644171	0	45	0.0	-70.61	386.67	6.09	-64.52
C[NH+](C)CCOCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012644172	0	49	0.0	-73.93	383.33	6.65	-67.28
C[C@H]1OCCN(C(=O)NCCOCC[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012644173	0	46	0.0	-79.90	349.96	4.56	-75.34
C[NH+](C)CCOCCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012644174	0	48	0.0	-70.81	370.79	6.31	-64.50
C[NH+](C)CCOCCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012644175	0	59	0.0	-73.71	421.10	7.57	-66.14
C[NH+](C)CCOCCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012644176	0	51	0.0	-78.96	412.71	6.82	-72.14
C[NH+](C)CCOCCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012644177	0	45	0.0	-55.60	362.19	6.10	-49.50
C[NH+](C)CCOCCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012644178	0	56	0.0	-81.52	401.30	6.89	-74.63
C[NH+](C)CCOCCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012644179	0	47	0.0	-75.81	399.47	5.05	-70.76
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCOCC[NH+](C)C)C1	REAL300012644180	0	49	0.0	-76.94	382.28	5.36	-71.58
COC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCC(C)CC1	REAL300012644929	0	63	0.0	-63.79	456.93	7.41	-56.38
CC(C)C[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645062	0	61	0.0	-76.59	429.13	7.77	-68.82
C=CCOCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645063	0	60	0.0	-72.81	436.38	6.16	-66.65
C=CC(C)C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645064	0	59	0.0	-70.68	414.70	7.24	-63.44
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCOCC1	REAL300012645065	0	63	0.0	-67.88	437.01	6.33	-61.55
COC1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C(C(=O)[O-])C1	REAL300012645066	0	63	0.0	-91.95	427.70	8.46	-83.49
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCCOC1	REAL300012645067	0	63	0.0	-79.10	434.89	6.25	-72.85
CC1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C(C(=O)[O-])C1	REAL300012645068	0	62	0.0	-92.07	418.02	10.14	-81.93
CCCN(CC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645069	0	58	0.0	-61.47	409.32	8.88	-52.59
CC(C(=O)[O-])N(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCC1	REAL300012645070	0	62	0.0	-61.16	421.96	9.31	-51.85
CCCN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(COC)C(=O)[O-]	REAL300012645071	0	65	0.0	-70.68	447.79	8.54	-62.14
CCCN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(CC)C(=O)[O-]	REAL300012645072	0	64	0.0	-68.82	434.93	9.75	-59.07
CC(C)C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645073	0	58	0.0	-69.58	405.02	6.94	-62.64
O=C([O-])C1CCCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645074	0	59	0.0	-91.73	397.10	9.51	-82.22
O=C([O-])C1CSCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645075	0	57	0.0	-90.11	398.59	9.29	-80.82
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCCC1	REAL300012645076	0	62	0.0	-81.54	420.15	8.62	-72.92
O=C([O-])C1CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645077	0	56	0.0	-88.23	389.25	8.33	-79.90
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCC1	REAL300012645078	0	59	0.0	-82.64	405.46	7.52	-75.12
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCCCC1	REAL300012645079	0	65	0.0	-84.41	423.13	9.81	-74.60
O=C([O-])CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645080	0	49	0.0	-62.95	347.28	4.47	-58.48
O=C([O-])[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1=CC=CC=C1	REAL300012645081	0	59	0.0	-80.74	426.60	8.52	-72.22
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1=CC=CC=C1	REAL300012645082	0	59	0.0	-66.51	426.17	8.50	-58.01
CCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645083	0	55	0.0	-70.31	389.90	6.32	-63.99
CC(C)C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645084	0	58	0.0	-69.58	405.02	6.94	-62.64
CN(CC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645085	0	52	0.0	-69.70	366.02	7.14	-62.56
CC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645086	0	52	0.0	-63.16	367.91	5.33	-57.83
CCC(C)C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645087	0	61	0.0	-70.39	419.84	7.36	-63.03
CN(CC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645088	0	52	0.0	-69.70	366.02	7.14	-62.56
O=C([O-])C1CCCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645089	0	59	0.0	-91.73	397.10	9.51	-82.22
CCCC(C)(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645090	0	61	0.0	-67.22	415.54	7.45	-59.77
CC(C)N(CC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645091	0	58	0.0	-62.32	397.95	8.41	-53.91
O=C([O-])CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1	REAL300012645092	0	56	0.0	-50.78	389.64	8.35	-42.43
C=CCN(CC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645093	0	56	0.0	-61.24	400.64	8.69	-52.55
CC(C)CN(CC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645094	0	61	0.0	-61.04	423.73	9.19	-51.85
CC(C)(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645095	0	55	0.0	-62.86	380.65	5.70	-57.16
CC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)(C(=O)[O-])C1CC1	REAL300012645096	0	59	0.0	-75.45	404.00	7.56	-67.89
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1=CC=CS1	REAL300012645097	0	56	0.0	-68.95	417.66	7.49	-61.46
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCCC1	REAL300012645098	0	62	0.0	-81.54	420.15	8.62	-72.92
CC(C)N(CC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645099	0	58	0.0	-62.32	397.95	8.41	-53.91
CCCN(CC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645100	0	58	0.0	-61.47	409.32	8.88	-52.59
CCN(CC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645101	0	55	0.0	-69.87	387.83	8.13	-61.74
CC[C@H](C)[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645102	0	61	0.0	-75.06	421.66	7.41	-67.65
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCC1	REAL300012645103	0	59	0.0	-82.64	405.46	7.52	-75.12
CCC(C)(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645104	0	58	0.0	-68.47	394.04	6.70	-61.77
C[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645105	0	52	0.0	-64.68	368.44	5.46	-59.22
CCN(CC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645106	0	55	0.0	-69.87	387.83	8.13	-61.74
C[C@@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645107	0	52	0.0	-68.45	368.91	5.41	-63.04
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1	REAL300012645108	0	53	0.0	-82.30	374.79	6.61	-75.69
O=C([O-])C1COCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645109	0	57	0.0	-87.88	389.23	6.60	-81.28
CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1(C(=O)[O-])CCCCC1	REAL300012645110	0	65	0.0	-84.60	425.82	10.06	-74.54
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1	REAL300012645111	0	56	0.0	-81.88	394.65	6.94	-74.94
COCCN(CC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645112	0	59	0.0	-62.87	419.20	7.31	-55.56
O=C([O-])[C@H]1CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645113	0	56	0.0	-88.49	389.95	8.04	-80.45
O=C([O-])[C@H]1CCCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645114	0	59	0.0	-89.42	398.04	9.20	-80.22
C[C@H](C(=O)[O-])N(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645115	0	55	0.0	-75.66	380.39	7.33	-68.33
O=C([O-])[C@@H]1CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645116	0	56	0.0	-83.88	389.19	8.37	-75.51
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC1	REAL300012645117	0	56	0.0	-71.10	390.71	6.99	-64.11
C=CCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645118	0	56	0.0	-69.67	402.94	6.84	-62.83
CC1(C(=O)[O-])CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645119	0	59	0.0	-80.97	406.34	8.90	-72.07
O=C([O-])C1CCCCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645120	0	62	0.0	-89.12	413.13	9.93	-79.19
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1	REAL300012645121	0	56	0.0	-81.88	394.65	6.94	-74.94
CC(C(=O)[O-])N(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645122	0	55	0.0	-66.70	379.85	7.32	-59.38
CCCCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645123	0	61	0.0	-70.19	432.90	7.87	-62.32
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645124	0	59	0.0	-72.98	406.41	8.81	-64.17
O=C([O-])CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCCC1	REAL300012645125	0	62	0.0	-61.06	424.16	9.70	-51.36
COCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645126	0	56	0.0	-71.93	401.62	4.61	-67.32
CCCCCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645127	0	64	0.0	-70.20	454.40	8.65	-61.55
O=C([O-])CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCOCC1	REAL300012645128	0	63	0.0	-61.03	432.60	8.03	-53.00
CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1(C(=O)[O-])CCCC1	REAL300012645129	0	62	0.0	-74.99	415.39	9.13	-65.86
CC(C(=O)[O-])N(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1	REAL300012645130	0	59	0.0	-60.88	404.55	8.51	-52.37
CCC(C(=O)[O-])N(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1	REAL300012645131	0	62	0.0	-53.63	424.68	9.98	-43.65
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645132	0	55	0.0	-64.82	405.83	7.01	-57.81
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCSCC1	REAL300012645133	0	60	0.0	-82.47	417.63	8.37	-74.10
COCC(C)(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645134	0	59	0.0	-72.63	412.28	5.99	-66.64
CCOCC(C(=O)[O-])N(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645135	0	62	0.0	-69.69	432.89	7.72	-61.97
CC(C)CN(CC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645136	0	61	0.0	-61.04	423.73	9.19	-51.85
O=C([O-])CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1	REAL300012645137	0	56	0.0	-50.78	389.64	8.35	-42.43
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCOC1	REAL300012645138	0	57	0.0	-67.02	395.54	4.84	-62.18
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCCCC1	REAL300012645139	0	65	0.0	-72.23	443.63	8.53	-63.70
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCOCC1	REAL300012645140	0	60	0.0	-85.85	411.36	6.19	-79.66
C=CCCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645141	0	59	0.0	-69.68	423.97	7.72	-61.96
O=C([O-])C(CF)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645142	0	52	0.0	-61.12	372.00	5.30	-55.82
CC(C(=O)[O-])N(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645143	0	55	0.0	-66.70	379.85	7.32	-59.38
CCC(CC)(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645144	0	61	0.0	-67.83	410.71	7.59	-60.24
CCC(C)N(CC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645145	0	61	0.0	-60.20	421.06	9.62	-50.58
CCC(COC)(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645146	0	62	0.0	-72.25	428.96	6.89	-65.36
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645147	0	65	0.0	-69.55	452.55	8.38	-61.17
O=C([O-])C(CC1CC1)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645148	0	59	0.0	-68.05	420.68	7.89	-60.16
COCCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645149	0	59	0.0	-70.31	423.33	5.45	-64.86
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645150	0	64	0.0	-68.15	438.72	9.69	-58.46
O=C([O-])C(CC(F)F)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645151	0	55	0.0	-66.47	400.52	6.85	-59.62
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645152	0	65	0.0	-73.45	443.06	10.65	-62.80
CCCN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(C)C(=O)[O-]	REAL300012645153	0	61	0.0	-68.77	423.07	9.52	-59.25
O=C([O-])C(CCF)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645154	0	55	0.0	-69.36	396.49	6.46	-62.90
O=C([O-])CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCOCC1	REAL300012645155	0	63	0.0	-61.03	432.60	8.03	-53.00
O=C([O-])CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCCCC1	REAL300012645156	0	65	0.0	-61.43	441.56	10.40	-51.03
C[C@H]1CC[C@@](NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)(C(=O)[O-])CC1	REAL300012645157	0	65	0.0	-78.84	433.73	9.03	-69.81
CC(CCF)(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645158	0	58	0.0	-64.32	400.63	6.84	-57.48
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645159	0	56	0.0	-69.50	400.49	8.52	-60.98
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645160	0	55	0.0	-66.70	379.85	7.32	-59.38
O=C([O-])C12CC(C1)CN2C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645161	0	57	0.0	-75.24	393.48	8.80	-66.44
COC1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C(C)(C(=O)[O-])C1	REAL300012645162	0	63	0.0	-73.37	438.98	7.75	-65.62
CC(C)(C)[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645163	0	61	0.0	-73.75	419.59	7.57	-66.18
C=C(Cl)CC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645164	0	56	0.0	-67.06	418.37	7.45	-59.61
C=C(C)CC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645165	0	59	0.0	-70.28	421.23	7.70	-62.58
O=C([O-])C12CCC(CC1)N2C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645166	0	60	0.0	-79.33	410.31	9.69	-69.64
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645167	0	56	0.0	-75.35	402.16	8.51	-66.84
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645168	0	56	0.0	-78.43	395.68	8.44	-69.99
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300012645169	0	57	0.0	-72.38	403.60	8.39	-63.99
CC(C)C[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645170	0	61	0.0	-76.59	429.13	7.77	-68.82
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCOCC1	REAL300012645171	0	63	0.0	-67.88	437.01	6.33	-61.55
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1=CC=CC=C1	REAL300012645172	0	59	0.0	-66.51	426.17	8.50	-58.01
O=C([O-])C(CC1CC1)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645173	0	59	0.0	-68.05	420.68	7.89	-60.16
CC(C)CCCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645174	0	67	0.0	-70.15	471.96	9.16	-60.99
O=C([O-])C(CC1CCCO1)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645175	0	63	0.0	-73.57	445.85	6.77	-66.80
CSCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645176	0	56	0.0	-67.39	413.36	6.74	-60.65
COC[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645177	0	56	0.0	-76.39	401.80	4.69	-71.70
CC[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645178	0	55	0.0	-76.24	390.42	6.47	-69.77
CCC(C)CC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645179	0	64	0.0	-70.58	446.83	8.28	-62.30
C=CCCCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645180	0	62	0.0	-70.18	445.71	8.43	-61.75
O=C([O-])C1CSCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645181	0	57	0.0	-90.11	398.59	9.29	-80.82
O=C([O-])[C@H]1CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645182	0	56	0.0	-88.49	389.95	8.04	-80.45
CCCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645183	0	58	0.0	-69.84	411.16	7.15	-62.69
CC(C)[C@@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645184	0	58	0.0	-80.74	407.45	7.01	-73.73
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645185	0	60	0.0	-77.45	410.30	9.76	-67.69
CCN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(C)(C)C(=O)[O-]	REAL300012645186	0	61	0.0	-71.47	414.56	9.05	-62.42
CCCN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(C)C(=O)[O-]	REAL300012645187	0	61	0.0	-68.77	423.07	9.52	-59.25
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645188	0	55	0.0	-65.90	402.45	8.64	-57.26
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645189	0	55	0.0	-65.90	402.45	8.64	-57.26
CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(C)(C)C(=O)[O-]	REAL300012645190	0	58	0.0	-71.54	395.04	8.23	-63.31
O=C([O-])[C@@H]1CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645191	0	56	0.0	-83.88	389.19	8.37	-75.51
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645192	0	57	0.0	-91.65	402.59	4.54	-87.11
CCC[C@@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645193	0	58	0.0	-69.83	411.16	7.15	-62.68
O=C([O-])[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1=CC=CC=C1	REAL300012645194	0	59	0.0	-80.74	426.60	8.52	-72.22
C=CCCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645195	0	59	0.0	-69.68	423.97	7.72	-61.96
CN1CC(C(=O)[O-])N(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1=O	REAL300012645196	0	60	0.0	-67.84	416.27	7.42	-60.42
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645197	0	59	0.0	-72.88	406.23	8.80	-64.08
CC(C)[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645198	0	58	0.0	-74.72	404.60	7.00	-67.72
O=C([O-])[C@@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1=CC=CC=C1	REAL300012645199	0	59	0.0	-70.37	426.03	8.40	-61.97
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645200	0	55	0.0	-66.70	379.85	7.32	-59.38
CCC[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645201	0	58	0.0	-76.26	411.92	7.23	-69.03
CCN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(C)C(=O)[O-]	REAL300012645202	0	58	0.0	-70.04	401.30	8.84	-61.20
O=C([O-])CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCCC1	REAL300012645203	0	62	0.0	-61.06	424.16	9.70	-51.36
CC(CN(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645204	0	58	0.0	-70.43	400.25	7.79	-62.64
CC[C@H](C)[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645205	0	61	0.0	-75.06	421.66	7.41	-67.65
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645206	0	58	0.0	-72.36	400.80	8.60	-63.76
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC(CO)C1	REAL300012645207	0	60	0.0	-75.42	421.26	4.18	-71.24
CC1CCC(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)(C(=O)[O-])C1	REAL300012645208	0	62	0.0	-81.42	425.68	8.12	-73.30
CC1(C)CCCC1(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645209	0	65	0.0	-69.50	434.51	8.74	-60.76
COCCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645210	0	59	0.0	-70.31	423.33	5.45	-64.86
CC1(C)CC(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)(C(=O)[O-])C1	REAL300012645211	0	62	0.0	-81.42	428.03	8.83	-72.59
CC1(C(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C(=O)[O-])CC1	REAL300012645212	0	59	0.0	-83.38	411.88	7.80	-75.58
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645213	0	57	0.0	-82.56	394.76	4.78	-77.78
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCOC1	REAL300012645214	0	60	0.0	-70.92	420.52	5.47	-65.45
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645215	0	60	0.0	-77.64	410.91	9.46	-68.18
O=C([O-])C12COC(CN1C(=O)NCC1(C[NH+]3CCOCC3)CCCCC1)C2	REAL300012645216	0	58	0.0	-73.44	403.26	7.04	-66.40
CC1CCC(C(=O)[O-])N(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300012645217	0	62	0.0	-92.71	413.36	10.37	-82.34
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCC1	REAL300012645218	0	59	0.0	-65.32	415.51	7.45	-57.87
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCCCC1	REAL300012645219	0	65	0.0	-72.23	443.63	8.53	-63.70
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCC1	REAL300012645220	0	59	0.0	-65.32	415.51	7.45	-57.87
CC1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1C(=O)[O-]	REAL300012645221	0	59	0.0	-90.53	411.88	8.51	-82.02
C=CCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645222	0	56	0.0	-69.67	402.94	6.84	-62.83
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645223	0	60	0.0	-52.42	408.76	9.72	-42.70
COC1CC(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)(C(=O)[O-])C1	REAL300012645224	0	60	0.0	-68.56	424.06	6.36	-62.20
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC(F)(F)C1	REAL300012645225	0	56	0.0	-79.06	400.03	7.16	-71.90
CO[C@H]1C[C@](NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)(C(=O)[O-])C1	REAL300012645226	0	60	0.0	-81.32	423.18	6.03	-75.29
CCC1(C(=O)[O-])CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645227	0	62	0.0	-89.35	417.76	9.49	-79.86
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645228	0	55	0.0	-64.82	405.83	7.01	-57.81
O=C([O-])C(CC1CCOC1)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645229	0	63	0.0	-69.37	444.04	6.47	-62.90
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)COC1	REAL300012645230	0	54	0.0	-78.73	382.37	4.18	-74.55
CC(C)C(C)(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645231	0	61	0.0	-69.31	410.77	7.39	-61.92
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645232	0	57	0.0	-92.23	393.48	9.19	-83.04
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645233	0	60	0.0	-74.85	412.62	9.01	-65.84
C=CCSCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645234	0	60	0.0	-67.38	447.64	8.20	-59.18
CCC(C(=O)[O-])N(CC)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645235	0	61	0.0	-68.71	414.62	9.13	-59.58
COC1(C(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C(=O)[O-])CCC1	REAL300012645236	0	63	0.0	-66.27	437.37	5.98	-60.29
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645238	0	56	0.0	-78.43	395.68	8.44	-69.99
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645239	0	58	0.0	-48.29	404.74	9.09	-39.20
CC1(C)CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1C(=O)[O-]	REAL300012645240	0	62	0.0	-74.61	424.51	8.84	-65.77
CC(C)CCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645241	0	64	0.0	-70.43	450.46	8.39	-62.04
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645242	0	63	0.0	-59.27	434.45	9.52	-49.75
O=C([O-])C(CC1CCOC1)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645243	0	63	0.0	-69.37	444.04	6.47	-62.90
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300012645244	0	60	0.0	-71.06	431.94	9.41	-61.65
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCC2CC21	REAL300012645245	0	63	0.0	-72.53	425.24	9.19	-63.34
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC2CC21	REAL300012645246	0	60	0.0	-70.45	413.05	8.37	-62.08
O=C([O-])C1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC2(CCC2)C1	REAL300012645247	0	63	0.0	-81.55	431.59	9.23	-72.32
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCCC1	REAL300012645248	0	62	0.0	-71.37	426.11	7.85	-63.52
CO[C@H](C)[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645249	0	59	0.0	-76.92	420.43	5.71	-71.21
CC1[C@@H](C)[C@@]1(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645250	0	59	0.0	-85.69	401.91	7.37	-78.32
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300012645251	0	62	0.0	-60.03	428.17	8.98	-51.05
O=C([O-])C1N(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC1(F)F	REAL300012645252	0	56	0.0	-77.55	400.02	8.32	-69.23
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645253	0	63	0.0	-86.18	428.36	9.68	-76.50
COCCCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645254	0	62	0.0	-69.58	445.07	6.16	-63.42
CCCC(C(=O)[O-])N(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645255	0	61	0.0	-68.12	422.87	9.23	-58.89
CCOCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645256	0	59	0.0	-72.23	423.48	5.59	-66.64
CC(C)(C)CC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645257	0	64	0.0	-69.29	440.88	8.71	-60.58
O=C([O-])C(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCCCO1	REAL300012645258	0	63	0.0	-76.72	440.91	6.58	-70.14
C[C@H]1OCCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)[C@@H]1C(=O)[O-]	REAL300012645259	0	60	0.0	-81.16	408.52	8.06	-73.10
N#CCCC(NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012645260	0	56	0.0	-71.99	410.75	6.83	-65.16
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645261	0	59	0.0	-62.26	428.49	9.27	-52.99
C[C@H](C(=O)[O-])N(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300012645262	0	55	0.0	-75.66	380.39	7.33	-68.33
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300012645263	0	63	0.0	-74.11	445.29	7.97	-66.14
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC(C3CC3)=CC=C2F)CC1	REAL300012647560	0	57	0.0	-62.61	446.07	9.55	-53.06
CCCCC(CCC)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012647837	0	64	0.0	-58.04	463.30	9.20	-48.84
CCN1N=CN=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012648288	0	52	0.0	-67.46	408.28	6.49	-60.97
COCCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCCCC1	REAL300012648571	0	66	0.0	-63.42	471.52	7.76	-55.66
CC(C)C[C@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(=O)[O-]	REAL300012648755	0	60	0.0	-75.18	433.42	9.37	-65.81
C=CCOCC(NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(=O)[O-]	REAL300012648756	0	59	0.0	-76.44	441.36	7.83	-68.61
C=CC(C)C(NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(=O)[O-]	REAL300012648757	0	58	0.0	-75.29	420.31	8.91	-66.38
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CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)CC1	REAL300012648897	0	55	0.0	-87.03	391.26	9.96	-77.07
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CC(CN(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(=O)[O-]	REAL300012648922	0	57	0.0	-76.77	406.22	9.77	-67.00
CC[C@H](C)[C@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(=O)[O-]	REAL300012648923	0	60	0.0	-73.90	424.32	8.99	-64.91
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1	REAL300012648924	0	57	0.0	-71.56	405.10	10.19	-61.37
CC1CC[NH+](C2CCC(NC(=O)NC3(C(=O)[O-])CC(CO)C3)CC2)CC1	REAL300012648925	0	59	0.0	-88.97	422.08	6.34	-82.63
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CC1CC[NH+](C2CCC(NC(=O)NC3(C(=O)[O-])CCCC3(C)C)CC2)CC1	REAL300012648928	0	64	0.0	-79.11	438.60	10.37	-68.74
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CC1CC[NH+](C2CCC(NC(=O)NC3(C(=O)[O-])CC(C)(C)C3)CC2)CC1	REAL300012648930	0	61	0.0	-81.02	427.86	10.87	-70.15
CC1CC[NH+](C2CCC(NC(=O)NC(C(=O)[O-])C3(C)CC3)CC2)CC1	REAL300012648931	0	58	0.0	-77.33	418.33	9.40	-67.93
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(=O)[O-]	REAL300012648932	0	67	0.0	-77.39	478.77	9.25	-68.14
CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])CC2)CC1	REAL300012648933	0	56	0.0	-87.36	399.71	6.85	-80.51
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CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])CC2)CC1	REAL300012648935	0	59	0.0	-84.55	415.23	11.09	-73.46
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CC1CC[NH+](C2CCC(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])CC2)CC1	REAL300012648938	0	65	0.0	-73.62	462.74	11.90	-61.72
CC1CC[NH+](C2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)CC2)CC1	REAL300012648939	0	58	0.0	-75.89	414.87	8.92	-66.97
CC1CC[NH+](C2CCC(NC(=O)NC(C(=O)[O-])C3CCCCC3)CC2)CC1	REAL300012648940	0	64	0.0	-75.53	447.81	10.32	-65.21
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CC1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1C(=O)[O-]	REAL300012648942	0	58	0.0	-87.39	410.38	10.65	-76.74
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CC1CC[NH+](C2CCC(NC(=O)NC3(C(=O)[O-])CC(F)(F)C3)CC2)CC1	REAL300012648950	0	55	0.0	-78.30	399.86	9.19	-69.11
CO[C@H]1C[C@](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)(C(=O)[O-])C1	REAL300012648951	0	59	0.0	-77.26	427.93	7.99	-69.27
CCC1(C(=O)[O-])CCCN1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1	REAL300012648952	0	61	0.0	-82.75	423.89	11.73	-71.02
CC1CC[NH+](C2CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC2)CC1	REAL300012648953	0	54	0.0	-68.79	410.67	8.73	-60.06
CC1CC[NH+](C2CCC(NC(=O)NC(CC3CCOC3)C(=O)[O-])CC2)CC1	REAL300012648954	0	62	0.0	-75.26	448.85	8.15	-67.11
CC1CC[NH+](C2CCC(NC(=O)NC3(C(=O)[O-])COC3)CC2)CC1	REAL300012648955	0	53	0.0	-72.46	386.69	5.78	-66.68
CC1CC[NH+](C2CCC(NC(=O)NC(CC3=CC=CS3)C(=O)[O-])CC2)CC1	REAL300012648956	0	58	0.0	-74.74	439.78	10.55	-64.19
CC(C)C(C)(NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(=O)[O-]	REAL300012648957	0	60	0.0	-74.52	415.61	9.09	-65.43
CC1CC[NH+](C2CCC(NC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])CC2)CC1	REAL300012648958	0	56	0.0	-83.59	400.72	11.09	-72.50
CC1CC[NH+](C2CCC(NC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])CC2)CC1	REAL300012648959	0	59	0.0	-81.95	416.74	10.70	-71.25
CC1CC[NH+](C2CCC(NC(=O)NC(CC3CCCCC3)C(=O)[O-])CC2)CC1	REAL300012648960	0	67	0.0	-75.58	475.07	11.23	-64.35
CC1CC[NH+](C2CCC(NC(=O)NC(C(=O)[O-])C3CC4CCC3C4)CC2)CC1	REAL300012648961	0	65	0.0	-77.35	457.45	10.88	-66.47
CC1CC[NH+](C2CCC(NC(=O)N[C@H](CC3CCCCC3)C(=O)[O-])CC2)CC1	REAL300012648962	0	67	0.0	-75.10	474.87	11.31	-63.79
CC1CC[NH+](C2CCC(NC(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])CC2)CC1	REAL300012648963	0	67	0.0	-75.55	475.07	11.24	-64.31
CC1CC[NH+](C2CCC(NC(=O)N3CC4(CCCC4)CC3C(=O)[O-])CC2)CC1	REAL300012648964	0	65	0.0	-59.76	455.26	11.91	-47.85
CC1CC[NH+](C2CCC(NC(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])CC2)CC1	REAL300012648965	0	65	0.0	-82.82	452.28	11.64	-71.18
C=CCSCC(NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(=O)[O-]	REAL300012648966	0	59	0.0	-72.55	452.49	9.91	-62.64
CCC(C(=O)[O-])N(CC)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1	REAL300012648967	0	60	0.0	-72.21	419.77	10.92	-61.29
COC1(C(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C(=O)[O-])CCC1	REAL300012648968	0	62	0.0	-71.50	442.34	7.72	-63.78
CC1CC[NH+](C2CCC(NC(=O)NC3(C(=O)[O-])CC(C(F)F)C3)CC2)CC1	REAL300012648969	0	58	0.0	-81.15	427.87	9.58	-71.57
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CCOCC(NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(=O)[O-]	REAL300012648995	0	58	0.0	-76.77	428.45	7.25	-69.52
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CC1CC[NH+](C2CCC(NC(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)CC2)CC1	REAL300012648998	0	62	0.0	-77.81	450.23	11.41	-66.40
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CC1CC[NH+](C2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CO3)CC2)CC1	REAL300012649001	0	58	0.0	-64.59	433.33	11.00	-53.59
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CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1	REAL300012649003	0	62	0.0	-81.66	443.37	10.39	-71.27
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649282	0	55	0.0	-77.55	421.42	5.83	-71.72
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649282	1	55	0.0	-72.59	423.73	6.22	-66.37
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CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(COC)C(=O)[O-]	REAL300012649291	0	59	0.0	-57.65	439.05	7.65	-50.00
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CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649305	0	49	0.0	-56.64	382.07	5.52	-51.12
CCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649305	1	49	0.0	-62.30	385.99	4.90	-57.40
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649306	0	52	0.0	-56.43	393.76	5.86	-50.57
CC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649306	1	52	0.0	-71.34	400.41	5.38	-65.96
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649307	0	46	0.0	-56.76	357.91	6.31	-50.45
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649307	1	46	0.0	-72.02	362.05	5.67	-66.35
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CC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649309	0	46	0.0	-51.30	360.56	4.46	-46.84
CC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649309	1	46	0.0	-60.93	364.37	3.82	-57.11
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649310	0	55	0.0	-68.91	411.98	6.41	-62.50
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649310	1	55	0.0	-73.29	417.47	5.80	-67.49
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649311	0	46	0.0	-56.76	357.91	6.31	-50.45
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649311	1	46	0.0	-72.02	362.05	5.67	-66.35
O=C([O-])C1CCCCN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649312	0	53	0.0	-75.31	395.82	7.82	-67.49
O=C([O-])C1CCCCN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649312	1	53	0.0	-82.03	392.50	7.39	-74.64
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649313	0	55	0.0	-57.82	407.89	6.60	-51.22
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649313	1	55	0.0	-62.62	411.83	5.97	-56.65
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649314	0	52	0.0	-66.31	390.85	6.66	-59.65
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649314	1	52	0.0	-61.48	393.84	6.91	-54.57
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1CC1	REAL300012649315	0	50	0.0	-62.78	387.38	7.17	-55.61
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1CC1	REAL300012649315	1	50	0.0	-72.25	385.46	7.52	-64.73
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649316	0	50	0.0	-61.30	396.94	7.22	-54.08
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C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649367	1	53	0.0	-68.00	415.98	6.84	-61.16
O=C([O-])C(CF)NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649368	0	46	0.0	-55.55	368.02	3.83	-51.72
O=C([O-])C(CF)NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649368	1	46	0.0	-52.30	364.17	4.46	-47.84
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649369	0	49	0.0	-64.01	371.96	6.53	-57.48
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649369	1	49	0.0	-59.81	376.14	5.85	-53.96
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649370	0	55	0.0	-71.38	402.69	6.70	-64.68
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649370	1	55	0.0	-73.97	407.01	6.09	-67.88
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649371	0	55	0.0	-54.43	412.07	8.78	-45.65
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649371	1	55	0.0	-61.16	414.89	7.98	-53.18
CCC(COC)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649372	0	56	0.0	-63.04	421.14	6.02	-57.02
CCC(COC)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649372	1	56	0.0	-67.75	425.00	5.41	-62.34
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649373	0	59	0.0	-66.20	445.04	7.52	-58.68
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649373	1	59	0.0	-61.45	448.86	6.91	-54.54
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649374	0	53	0.0	-62.13	417.56	6.45	-55.68
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649374	1	53	0.0	-68.84	413.16	7.04	-61.80
COCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649375	0	53	0.0	-69.84	415.63	4.52	-65.32
COCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649375	1	53	0.0	-62.89	419.91	3.91	-58.98
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649376	0	58	0.0	-56.69	431.50	8.94	-47.75
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649376	1	58	0.0	-60.14	435.03	8.22	-51.92
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649377	0	49	0.0	-62.68	398.58	5.13	-57.55
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649377	1	49	0.0	-52.01	392.69	6.04	-45.97
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649378	0	59	0.0	-80.84	431.90	9.84	-71.00
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649378	1	59	0.0	-68.17	439.43	9.12	-59.05
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(C)C(=O)[O-]	REAL300012649379	0	55	0.0	-63.79	412.01	7.04	-56.75
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(C)C(=O)[O-]	REAL300012649379	1	55	0.0	-59.82	415.30	7.36	-52.46
O=C([O-])C(CCF)NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649380	0	49	0.0	-61.67	392.82	4.99	-56.68
O=C([O-])C(CCF)NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649380	1	49	0.0	-68.26	388.54	5.60	-62.66
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1CCOCC1	REAL300012649381	0	57	0.0	-45.98	428.96	6.56	-39.42
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1CCOCC1	REAL300012649381	1	57	0.0	-56.03	424.57	7.18	-48.85
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1CCCCC1	REAL300012649382	0	59	0.0	-61.70	437.77	8.93	-52.77
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1CCCCC1	REAL300012649382	1	59	0.0	-55.63	433.47	9.56	-46.07
C[C@H]1CC[C@@](NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)(C(=O)[O-])CC1	REAL300012649383	0	59	0.0	-64.19	424.96	8.01	-56.18
C[C@H]1CC[C@@](NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)(C(=O)[O-])CC1	REAL300012649383	1	59	0.0	-60.86	429.36	7.47	-53.39
CC(CCF)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649384	0	52	0.0	-54.76	392.99	5.98	-48.78
CC(CCF)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649384	1	52	0.0	-59.52	396.92	5.36	-54.16
O=C([O-])C1C2=C(CCN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)OC=C2	REAL300012649385	0	54	0.0	-53.57	419.15	7.40	-46.17
O=C([O-])C1C2=C(CCN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)OC=C2	REAL300012649385	1	54	0.0	-58.49	414.94	7.92	-50.57
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649386	0	50	0.0	-63.40	398.68	6.63	-56.77
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649386	1	50	0.0	-59.94	396.36	7.14	-52.80
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649387	0	49	0.0	-64.01	371.96	6.53	-57.48
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649387	1	49	0.0	-68.26	376.28	5.91	-62.35
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649388	0	51	0.0	-77.74	390.33	7.39	-70.35
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649388	1	51	0.0	-80.57	387.06	7.62	-72.95
COC1CN(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)C(C)(C(=O)[O-])C1	REAL300012649389	0	57	0.0	-75.44	425.97	6.80	-68.64
COC1CN(C(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)C(C)(C(=O)[O-])C1	REAL300012649389	1	57	0.0	-74.59	434.79	6.33	-68.26
CC(C)(C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649390	0	55	0.0	-70.94	412.67	6.56	-64.38
CC(C)(C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649390	1	55	0.0	-72.63	415.04	5.98	-66.65
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649391	0	50	0.0	-58.90	414.46	6.02	-52.88
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649391	1	50	0.0	-71.48	407.34	6.30	-65.18
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649392	0	53	0.0	-70.69	411.99	6.45	-64.24
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649392	1	53	0.0	-63.31	417.80	6.15	-57.16
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649393	0	54	0.0	-80.15	407.20	8.18	-71.97
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649393	1	54	0.0	-80.67	399.52	8.44	-72.23
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649394	0	50	0.0	-69.64	396.33	6.83	-62.81
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649394	1	50	0.0	-66.85	394.79	7.52	-59.33
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649395	0	50	0.0	-73.32	391.81	6.85	-66.47
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649395	1	50	0.0	-73.84	389.05	7.50	-66.34
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)C1	REAL300012649396	0	51	0.0	-78.19	399.12	6.85	-71.34
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)C1	REAL300012649396	1	51	0.0	-78.23	396.12	7.52	-70.71
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649397	0	55	0.0	-77.55	421.42	5.83	-71.72
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649397	1	55	0.0	-72.59	423.73	6.22	-66.37
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1CCOCC1	REAL300012649398	0	57	0.0	-76.53	431.28	4.62	-71.91
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1CCOCC1	REAL300012649398	1	57	0.0	-70.91	432.03	5.48	-65.43
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1=CC=CC=C1	REAL300012649399	0	53	0.0	-64.87	422.38	6.91	-57.96
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1=CC=CC=C1	REAL300012649399	1	53	0.0	-67.67	418.52	7.54	-60.13
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649400	0	53	0.0	-62.13	417.56	6.45	-55.68
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649400	1	53	0.0	-68.84	413.16	7.04	-61.80
CC(C)CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649401	0	61	0.0	-69.63	464.05	8.29	-61.34
CC(C)CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649401	1	61	0.0	-62.05	468.05	7.73	-54.32
O=C([O-])C(CC1CCCO1)NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649402	0	57	0.0	-71.73	439.59	5.75	-65.98
O=C([O-])C(CC1CCCO1)NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649402	1	57	0.0	-61.18	438.26	5.91	-55.27
CSCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649403	0	50	0.0	-64.58	405.85	5.89	-58.69
CSCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649403	1	50	0.0	-60.64	409.69	5.26	-55.38
COC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649404	0	50	0.0	-69.81	393.80	3.68	-66.13
COC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649404	1	50	0.0	-73.65	397.23	3.08	-70.57
CC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649405	0	49	0.0	-68.96	381.86	5.44	-63.52
CC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649405	1	49	0.0	-72.42	386.19	4.84	-67.58
CCC(C)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649406	0	58	0.0	-70.14	438.38	7.44	-62.70
CCC(C)CC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649406	1	58	0.0	-62.66	443.02	6.86	-55.80
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649407	0	56	0.0	-62.21	441.80	7.01	-55.20
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649407	1	56	0.0	-56.63	437.88	7.62	-49.01
O=C([O-])C1CSCCN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649408	0	51	0.0	-74.44	395.74	7.76	-66.68
O=C([O-])C1CSCCN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649408	1	51	0.0	-78.88	393.52	7.50	-71.38
CC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012649409	0	56	0.0	-60.83	426.18	8.32	-52.51
CC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012649409	1	56	0.0	-73.28	430.14	7.69	-65.59
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649410	0	50	0.0	-68.92	385.51	6.50	-62.42
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649410	1	50	0.0	-63.82	383.25	7.08	-56.74
CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649411	0	52	0.0	-57.55	403.78	6.21	-51.34
CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649411	1	52	0.0	-62.22	407.49	5.67	-56.55
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649412	0	52	0.0	-56.47	393.82	5.87	-50.60
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649412	1	52	0.0	-63.17	403.23	5.41	-57.76
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649413	0	54	0.0	-75.71	406.46	8.33	-67.38
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649413	1	54	0.0	-83.00	403.30	8.91	-74.09
CCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(C)(C)C(=O)[O-]	REAL300012649414	0	55	0.0	-63.11	406.32	8.20	-54.91
CCN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(C)(C)C(=O)[O-]	REAL300012649414	1	55	0.0	-76.11	410.82	7.59	-68.52
CCCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(C)C(=O)[O-]	REAL300012649415	0	55	0.0	-63.79	412.01	7.04	-56.75
CCCN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(C)C(=O)[O-]	REAL300012649415	1	55	0.0	-59.82	415.30	7.36	-52.46
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649416	0	49	0.0	-74.83	391.18	6.93	-67.90
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649416	1	49	0.0	-54.48	394.41	7.79	-46.69
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649417	0	49	0.0	-74.83	391.18	6.93	-67.90
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649417	1	49	0.0	-54.48	394.41	7.79	-46.69
CN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(C)(C)C(=O)[O-]	REAL300012649418	0	52	0.0	-75.21	386.13	7.28	-67.93
CN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(C)(C)C(=O)[O-]	REAL300012649418	1	52	0.0	-75.67	391.38	6.74	-68.93
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649419	0	50	0.0	-78.31	384.89	6.79	-71.52
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649419	1	50	0.0	-75.72	381.19	7.39	-68.33
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649420	0	51	0.0	-66.80	397.31	3.07	-63.73
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649420	1	51	0.0	-65.77	393.21	3.69	-62.08
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649421	0	52	0.0	-57.57	403.78	6.21	-51.36
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649421	1	52	0.0	-62.22	407.11	5.68	-56.54
O=C([O-])[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1=CC=CC=C1	REAL300012649422	0	53	0.0	-64.84	422.37	6.92	-57.92
O=C([O-])[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1=CC=CC=C1	REAL300012649422	1	53	0.0	-59.39	418.43	7.53	-51.86
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649423	0	53	0.0	-61.90	420.30	6.23	-55.67
C=CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649423	1	53	0.0	-68.00	415.98	6.84	-61.16
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)CC1=O	REAL300012649424	0	54	0.0	-65.36	409.93	6.73	-58.63
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)CC1=O	REAL300012649424	1	54	0.0	-66.73	412.90	6.01	-60.72
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649425	0	53	0.0	-63.60	398.19	7.96	-55.64
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649425	1	53	0.0	-62.81	401.87	7.33	-55.48
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649426	0	52	0.0	-68.20	393.55	5.76	-62.44
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649426	1	52	0.0	-72.70	398.89	5.16	-67.54
O=C([O-])[C@@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1=CC=CC=C1	REAL300012649427	0	53	0.0	-71.90	421.39	6.95	-64.95
O=C([O-])[C@@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1=CC=CC=C1	REAL300012649427	1	53	0.0	-67.55	418.56	7.53	-60.02
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649428	0	49	0.0	-64.01	371.96	6.53	-57.48
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649428	1	49	0.0	-68.26	376.28	5.91	-62.35
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649429	0	52	0.0	-69.15	403.41	6.22	-62.93
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649429	1	52	0.0	-71.96	406.86	5.61	-66.35
CCN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(C)C(=O)[O-]	REAL300012649430	0	52	0.0	-60.01	392.39	8.02	-51.99
CCN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(C)C(=O)[O-]	REAL300012649430	1	52	0.0	-60.06	393.39	6.58	-53.48
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1CCCC1	REAL300012649431	0	56	0.0	-61.38	420.14	8.25	-53.13
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1CCCC1	REAL300012649431	1	56	0.0	-55.37	416.09	8.86	-46.51
CC(CN(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649432	0	52	0.0	-70.02	393.06	7.20	-62.82
CC(CN(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649432	1	52	0.0	-69.04	397.42	6.34	-62.70
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649433	0	55	0.0	-69.92	413.67	6.42	-63.50
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649433	1	55	0.0	-72.18	415.44	5.79	-66.39
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649434	0	52	0.0	-65.45	391.84	7.43	-58.02
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649434	1	52	0.0	-68.37	397.16	6.88	-61.49
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)CC(CO)C1	REAL300012649435	0	54	0.0	-64.39	415.82	3.46	-60.93
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)CC(CO)C1	REAL300012649435	1	54	0.0	-81.76	417.70	2.73	-79.03
CC1CCC(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)(C(=O)[O-])C1	REAL300012649436	0	56	0.0	-61.37	418.42	7.15	-54.22
CC1CCC(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)(C(=O)[O-])C1	REAL300012649436	1	56	0.0	-77.20	421.25	6.53	-70.67
CC1(C)CCCC1(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649437	0	59	0.0	-75.32	428.01	7.90	-67.42
CC1(C)CCCC1(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649437	1	59	0.0	-77.31	431.78	7.28	-70.03
COCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649438	0	53	0.0	-69.84	415.63	4.52	-65.32
COCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649438	1	53	0.0	-62.89	419.91	3.91	-58.98
CC1(C)CC(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)(C(=O)[O-])C1	REAL300012649439	0	56	0.0	-64.53	419.77	7.89	-56.64
CC1(C)CC(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)(C(=O)[O-])C1	REAL300012649439	1	56	0.0	-68.31	423.80	7.26	-61.05
CC1(C(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)C(=O)[O-])CC1	REAL300012649440	0	53	0.0	-70.62	407.18	6.53	-64.09
CC1(C(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)C(=O)[O-])CC1	REAL300012649440	1	53	0.0	-74.12	412.18	5.83	-68.29
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649441	0	51	0.0	-73.51	395.32	3.25	-70.26
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649441	1	51	0.0	-73.16	392.71	3.92	-69.24
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1CCOC1	REAL300012649442	0	54	0.0	-75.84	413.11	3.83	-72.01
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1CCOC1	REAL300012649442	1	54	0.0	-57.72	415.84	4.68	-53.04
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649443	0	54	0.0	-82.39	407.15	7.88	-74.51
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649443	1	54	0.0	-81.50	403.24	8.50	-73.00
O=C([O-])C12COC(CN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C2	REAL300012649444	0	52	0.0	-74.64	399.25	5.63	-69.01
O=C([O-])C12COC(CN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C2	REAL300012649444	1	52	0.0	-74.60	394.91	6.14	-68.46
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)C1	REAL300012649445	0	56	0.0	-81.42	413.35	7.96	-73.46
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)C1	REAL300012649445	1	56	0.0	-75.67	412.03	8.67	-67.00
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1CCC1	REAL300012649446	0	53	0.0	-62.69	405.94	5.80	-56.89
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1CCC1	REAL300012649446	1	53	0.0	-69.46	406.49	6.44	-63.02
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1CCCCC1	REAL300012649447	0	59	0.0	-74.85	440.50	7.04	-67.81
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1CCCCC1	REAL300012649447	1	59	0.0	-57.66	435.45	7.75	-49.91
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1CCC1	REAL300012649448	0	53	0.0	-62.69	405.94	5.80	-56.89
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1CCC1	REAL300012649448	1	53	0.0	-69.46	406.49	6.44	-63.02
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)C1C(=O)[O-]	REAL300012649449	0	53	0.0	-65.45	402.53	7.65	-57.80
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)C1C(=O)[O-]	REAL300012649449	1	53	0.0	-79.41	405.52	7.34	-72.07
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649450	0	50	0.0	-62.63	399.51	5.30	-57.33
C=CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649450	1	50	0.0	-68.51	394.35	5.87	-62.64
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649451	0	54	0.0	-41.36	405.45	7.77	-33.59
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649451	1	54	0.0	-42.95	401.07	7.24	-35.71
COC1CC(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)(C(=O)[O-])C1	REAL300012649452	0	54	0.0	-69.10	415.11	5.06	-64.04
COC1CC(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)(C(=O)[O-])C1	REAL300012649452	1	54	0.0	-72.14	418.91	4.42	-67.72
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)CC(F)(F)C1	REAL300012649453	0	50	0.0	-66.32	395.75	5.58	-60.74
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)CC(F)(F)C1	REAL300012649453	1	50	0.0	-62.77	391.98	6.21	-56.56
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)(C(=O)[O-])C1	REAL300012649454	0	54	0.0	-71.96	413.84	5.25	-66.71
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)(C(=O)[O-])C1	REAL300012649454	1	54	0.0	-64.33	419.16	4.40	-59.93
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649455	0	56	0.0	-66.03	411.62	8.56	-57.47
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649455	1	56	0.0	-80.59	417.80	8.48	-72.11
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649456	0	49	0.0	-57.85	401.92	5.61	-52.24
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649456	1	49	0.0	-53.14	398.21	6.14	-47.00
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649457	0	57	0.0	-72.08	440.71	4.91	-67.17
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649457	1	57	0.0	-55.84	432.39	6.11	-49.73
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)COC1	REAL300012649458	0	48	0.0	-69.67	378.13	2.59	-67.08
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)COC1	REAL300012649458	1	48	0.0	-58.55	374.33	3.23	-55.32
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649459	0	55	0.0	-70.59	403.26	6.54	-64.05
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649459	1	55	0.0	-73.33	407.07	5.89	-67.44
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649460	0	51	0.0	-72.20	389.75	7.78	-64.42
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649460	1	51	0.0	-76.80	386.71	8.58	-68.22
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649461	0	54	0.0	-69.93	407.91	7.53	-62.40
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649461	1	54	0.0	-70.22	405.35	8.07	-62.15
C=CCSCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649462	0	54	0.0	-60.46	443.97	6.71	-53.75
C=CCSCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649462	1	54	0.0	-64.59	440.13	7.33	-57.26
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649463	0	55	0.0	-54.50	406.01	8.18	-46.32
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649463	1	55	0.0	-60.28	410.94	7.64	-52.64
COC1(C(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)C(=O)[O-])CCC1	REAL300012649464	0	57	0.0	-61.29	430.71	5.27	-56.02
COC1(C(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)C(=O)[O-])CCC1	REAL300012649464	1	57	0.0	-61.38	426.08	5.45	-55.93
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)CC(C(F)F)C1	REAL300012649465	0	53	0.0	-71.38	419.09	6.40	-64.98
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)CC(C(F)F)C1	REAL300012649465	1	53	0.0	-65.72	415.41	7.03	-58.69
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649467	0	50	0.0	-73.32	391.81	6.85	-66.47
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649467	1	50	0.0	-73.84	389.05	7.50	-66.34
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649468	0	52	0.0	-41.91	398.51	7.56	-34.35
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649468	1	52	0.0	-52.37	397.23	8.19	-44.18
CC1(C)CCN(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)C1C(=O)[O-]	REAL300012649469	0	56	0.0	-77.43	413.52	8.34	-69.09
CC1(C)CCN(C(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)C1C(=O)[O-]	REAL300012649469	1	56	0.0	-79.45	419.62	7.70	-71.75
CC(C)CCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649470	0	58	0.0	-69.52	442.29	7.58	-61.94
CC(C)CCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649470	1	58	0.0	-62.27	446.56	6.96	-55.31
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649471	0	57	0.0	-41.82	429.86	8.19	-33.63
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649471	1	57	0.0	-43.04	425.67	7.76	-35.28
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CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)C1	REAL300012649473	0	54	0.0	-75.13	424.96	8.64	-66.49
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)C1	REAL300012649473	1	54	0.0	-72.29	427.39	7.88	-64.41
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)CCCC2CC21	REAL300012649474	0	57	0.0	-67.54	421.13	7.77	-59.77
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)CCCC2CC21	REAL300012649474	1	57	0.0	-62.66	417.21	8.38	-54.28
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)CCC2CC21	REAL300012649475	0	54	0.0	-66.12	409.63	6.59	-59.53
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)CCC2CC21	REAL300012649475	1	54	0.0	-61.47	406.09	7.20	-54.27
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)CC2(CCC2)C1	REAL300012649476	0	57	0.0	-68.61	435.77	7.42	-61.19
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)CC2(CCC2)C1	REAL300012649476	1	57	0.0	-62.21	425.91	7.80	-54.41
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1CCCC1	REAL300012649477	0	56	0.0	-74.13	427.52	6.50	-67.63
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1CCCC1	REAL300012649477	1	56	0.0	-56.97	418.62	7.04	-49.93
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649478	0	53	0.0	-70.15	411.86	4.76	-65.39
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649478	1	53	0.0	-74.05	416.19	4.08	-69.97
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649479	0	53	0.0	-64.91	397.27	6.67	-58.24
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649479	1	53	0.0	-70.81	409.17	6.59	-64.22
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649480	0	56	0.0	-61.22	443.12	9.66	-51.56
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649480	1	56	0.0	-54.08	438.65	10.30	-43.78
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)C1	REAL300012649481	0	56	0.0	-41.61	417.11	7.21	-34.40
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)C1	REAL300012649481	1	56	0.0	-59.88	425.69	7.51	-52.37
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649482	0	53	0.0	-73.95	407.14	7.84	-66.11
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649482	1	53	0.0	-72.59	403.04	8.42	-64.17
O=C([O-])C1N(C(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)CCC1(F)F	REAL300012649483	0	50	0.0	-70.14	396.16	6.74	-63.40
O=C([O-])C1N(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)CCC1(F)F	REAL300012649483	1	50	0.0	-67.11	392.38	7.36	-59.75
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649484	0	53	0.0	-61.43	410.17	8.10	-53.33
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649484	1	53	0.0	-65.91	414.23	7.55	-58.36
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649485	0	57	0.0	-70.75	423.18	8.13	-62.62
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649485	1	57	0.0	-66.82	419.27	8.51	-58.31
COCCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649486	0	56	0.0	-56.52	437.25	5.35	-51.17
COCCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649486	1	56	0.0	-62.87	441.40	4.68	-58.19
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649487	0	55	0.0	-65.12	414.92	8.35	-56.77
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649487	1	55	0.0	-60.35	418.67	7.65	-52.70
CCOCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649488	0	53	0.0	-70.28	415.61	4.67	-65.61
CCOCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649488	1	53	0.0	-63.82	419.81	4.10	-59.72
CC(C)(C)CC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649489	0	58	0.0	-58.84	432.71	7.86	-50.98
CC(C)(C)CC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649489	1	58	0.0	-73.25	436.18	7.25	-66.00
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1CCCCO1	REAL300012649490	0	57	0.0	-65.65	436.34	5.01	-60.64
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1CCCCO1	REAL300012649490	1	57	0.0	-72.51	432.92	5.61	-66.90
C[C@H]1OCCN(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)[C@@H]1C(=O)[O-]	REAL300012649491	0	54	0.0	-73.06	405.25	6.98	-66.08
C[C@H]1OCCN(C(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)[C@@H]1C(=O)[O-]	REAL300012649491	1	54	0.0	-72.40	406.98	6.31	-66.09
N#CCCC(NC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649492	0	50	0.0	-63.88	407.09	5.35	-58.53
N#CCCC(NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300012649492	1	50	0.0	-71.55	401.97	5.96	-65.59
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649493	0	53	0.0	-61.86	424.79	7.80	-54.06
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649493	1	53	0.0	-48.85	421.24	7.43	-41.42
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300012649494	0	49	0.0	-54.49	372.37	6.37	-48.12
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300012649494	1	49	0.0	-59.86	376.16	5.85	-54.01
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)C1	REAL300012649495	0	57	0.0	-73.33	436.16	7.51	-65.82
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)C1	REAL300012649495	1	57	0.0	-74.24	439.43	6.67	-67.57
CC(C)C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649496	0	48	0.0	-70.66	359.20	4.68	-65.98
CC(C)C[C@H](NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649496	1	48	0.0	-73.54	357.31	4.48	-69.06
C=CCOCC(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649497	0	47	0.0	-73.41	367.54	3.19	-70.22
C=CCOCC(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649497	1	47	0.0	-74.44	365.22	2.95	-71.49
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1CCOCC1	REAL300012649498	0	50	0.0	-71.15	369.42	3.44	-67.71
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1CCOCC1	REAL300012649498	1	50	0.0	-74.40	368.62	3.22	-71.18
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1=CC=C(F)C(F)=C1	REAL300012649499	0	46	0.0	-68.94	369.60	5.60	-63.34
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1=CC=C(F)C(F)=C1	REAL300012649499	1	46	0.0	-69.13	367.46	5.37	-63.76
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1=CC=C(Cl)C(F)=C1	REAL300012649500	0	46	0.0	-68.60	379.48	6.05	-62.55
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1=CC=C(Cl)C(F)=C1	REAL300012649500	1	46	0.0	-68.23	376.75	5.84	-62.39
COC1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C(C(=O)[O-])C1	REAL300012649501	0	50	0.0	-81.31	361.76	5.41	-75.90
COC1CCN(C(=O)NCC[N@H+]2CCCOCC2)C(C(=O)[O-])C1	REAL300012649501	1	50	0.0	-81.82	360.29	5.14	-76.68
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1CCCOC1	REAL300012649502	0	50	0.0	-72.01	370.87	3.49	-68.52
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1CCCOC1	REAL300012649502	1	50	0.0	-72.40	363.66	2.99	-69.41
CC1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C(C(=O)[O-])C1	REAL300012649503	0	49	0.0	-80.16	345.26	6.65	-73.51
CC1CCN(C(=O)NCC[N@H+]2CCCOCC2)C(C(=O)[O-])C1	REAL300012649503	1	49	0.0	-81.74	342.84	6.69	-75.05
CC1=CC(C(NC(=O)NCC[N@@H+]2CCCOCC2)C(=O)[O-])=CC=C1F	REAL300012649504	0	49	0.0	-68.88	383.58	6.26	-62.62
CC1=CC(C(NC(=O)NCC[N@H+]2CCCOCC2)C(=O)[O-])=CC=C1F	REAL300012649504	1	49	0.0	-70.85	381.24	6.02	-64.83
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1=CC=C2OCCC2=C1	REAL300012649505	0	51	0.0	-73.27	392.96	5.31	-67.96
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1=CC=C2OCCC2=C1	REAL300012649505	1	51	0.0	-73.75	390.42	5.16	-68.59
CC1=CC(C(NC(=O)NCC[N@@H+]2CCCOCC2)C(=O)[O-])=CC(C)=C1	REAL300012649506	0	52	0.0	-73.06	399.27	6.83	-66.23
CC1=CC(C(NC(=O)NCC[N@H+]2CCCOCC2)C(=O)[O-])=CC(C)=C1	REAL300012649506	1	52	0.0	-74.63	397.61	6.57	-68.06
CC1=CC=C(C(NC(=O)NCC[N@@H+]2CCCOCC2)C(=O)[O-])C=C1C	REAL300012649507	0	52	0.0	-73.00	395.49	6.68	-66.32
CC1=CC=C(C(NC(=O)NCC[N@H+]2CCCOCC2)C(=O)[O-])C=C1C	REAL300012649507	1	52	0.0	-74.24	392.98	6.53	-67.71
COC1=CC=C(C(NC(=O)NCC[N@@H+]2CCCOCC2)C(=O)[O-])C=C1Cl	REAL300012649508	0	50	0.0	-71.81	402.42	5.33	-66.48
COC1=CC=C(C(NC(=O)NCC[N@H+]2CCCOCC2)C(=O)[O-])C=C1Cl	REAL300012649508	1	50	0.0	-71.13	399.68	5.13	-66.00
CC1=CC=CC(C(NC(=O)NCC[N@@H+]2CCCOCC2)C(=O)[O-])=C1C	REAL300012649509	0	52	0.0	-73.22	390.24	6.56	-66.66
CC1=CC=CC(C(NC(=O)NCC[N@H+]2CCCOCC2)C(=O)[O-])=C1C	REAL300012649509	1	52	0.0	-73.20	384.50	6.28	-66.92
COC1=CC=C(C(NC(=O)NCC[N@@H+]2CCCOCC2)C(=O)[O-])C=C1F	REAL300012649510	0	50	0.0	-72.75	392.62	4.84	-67.91
COC1=CC=C(C(NC(=O)NCC[N@H+]2CCCOCC2)C(=O)[O-])C=C1F	REAL300012649510	1	50	0.0	-72.35	390.48	4.62	-67.73
CC(C(=O)[O-])N(C(=O)NCC[N@@H+]1CCCOCC1)C1CCC1	REAL300012649511	0	49	0.0	-59.49	353.07	6.23	-53.26
CC(C(=O)[O-])N(C(=O)NCC[N@H+]1CCCOCC1)C1CCC1	REAL300012649511	1	49	0.0	-62.35	350.19	6.03	-56.32
CCCN(C(=O)NCC[N@@H+]1CCCOCC1)C(COC)C(=O)[O-]	REAL300012649512	0	52	0.0	-73.21	382.62	6.92	-66.29
CCCN(C(=O)NCC[N@H+]1CCCOCC1)C(COC)C(=O)[O-]	REAL300012649512	1	52	0.0	-72.42	375.57	5.36	-67.06
CCCN(C(=O)NCC[N@@H+]1CCCOCC1)C(CC)C(=O)[O-]	REAL300012649513	0	51	0.0	-72.10	368.43	7.59	-64.51
CCCN(C(=O)NCC[N@H+]1CCCOCC1)C(CC)C(=O)[O-]	REAL300012649513	1	51	0.0	-72.92	363.80	6.55	-66.37
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1=CC=C(Cl)C=C1	REAL300012649514	0	46	0.0	-69.31	374.02	6.04	-63.27
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1=CC=C(Cl)C=C1	REAL300012649514	1	46	0.0	-70.29	371.30	5.84	-64.45
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O=C([O-])C1CSCCN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649515	1	44	0.0	-79.76	328.53	6.23	-73.53
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CCCCC(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649548	0	48	0.0	-71.93	363.92	4.95	-66.98
CCCCC(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649548	1	48	0.0	-72.59	361.36	4.77	-67.82
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CCC1CCC(NC(=O)NCC[N@H+]2CCCOCC2)(C(=O)[O-])CC1	REAL300012649552	1	55	0.0	-71.19	380.86	5.90	-65.29
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CN(C(=O)NCC[N@@H+]1CCCOCC1)C1(C(=O)[O-])CCCC1	REAL300012649554	0	49	0.0	-76.76	346.80	6.18	-70.58
CN(C(=O)NCC[N@H+]1CCCOCC1)C1(C(=O)[O-])CCCC1	REAL300012649554	1	49	0.0	-78.54	343.76	6.02	-72.52
CCC(C(=O)[O-])N(C(=O)NCC[N@@H+]1CCCOCC1)C1CC1	REAL300012649555	0	49	0.0	-70.94	348.83	6.54	-64.40
CCC(C(=O)[O-])N(C(=O)NCC[N@H+]1CCCOCC1)C1CC1	REAL300012649555	1	49	0.0	-63.10	356.12	6.76	-56.34
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O=C([O-])CN(CCC(F)(F)F)C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649571	0	45	0.0	-55.98	358.91	6.31	-49.67
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC[N@H+]1CCCOCC1	REAL300012649571	1	45	0.0	-55.01	350.95	5.90	-49.11
O=C([O-])C1(NC(=O)NCC[N@@H+]2CCCOCC2)CCOC1	REAL300012649572	0	44	0.0	-70.08	327.05	1.82	-68.26
O=C([O-])C1(NC(=O)NCC[N@H+]2CCCOCC2)CCOC1	REAL300012649572	1	44	0.0	-71.76	324.24	1.71	-70.05
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1CCCCC1	REAL300012649573	0	52	0.0	-73.26	375.65	5.57	-67.69
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1CCCCC1	REAL300012649573	1	52	0.0	-72.53	374.44	5.58	-66.95
CN(C(=O)NCC[N@@H+]1CCCOCC1)C(COC1CCC1)C(=O)[O-]	REAL300012649574	0	53	0.0	-70.02	390.86	6.08	-63.94
CN(C(=O)NCC[N@H+]1CCCOCC1)C(COC1CCC1)C(=O)[O-]	REAL300012649574	1	53	0.0	-71.71	388.16	6.02	-65.69
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649575	0	53	0.0	-78.62	395.54	9.52	-69.10
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649575	1	53	0.0	-78.97	393.78	9.19	-69.78
O=C([O-])C1(NC(=O)NCC[N@@H+]2CCCOCC2)CCOCC1	REAL300012649576	0	47	0.0	-73.79	342.31	3.08	-70.71
O=C([O-])C1(NC(=O)NCC[N@H+]2CCCOCC2)CCOCC1	REAL300012649576	1	47	0.0	-75.38	339.56	2.92	-72.46
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649577	0	52	0.0	-47.50	388.55	9.33	-38.17
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@H+]1CCCOCC1	REAL300012649577	1	52	0.0	-50.76	385.09	9.05	-41.71
CCC(CC)(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649578	0	48	0.0	-71.15	342.15	4.63	-66.52
CCC(CC)(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649578	1	48	0.0	-72.96	339.42	4.42	-68.54
COC1=CC=C(C(NC(=O)NCC[N@@H+]2CCCOCC2)C(=O)[O-])C=C1	REAL300012649579	0	50	0.0	-72.45	386.78	4.82	-67.63
COC1=CC=C(C(NC(=O)NCC[N@H+]2CCCOCC2)C(=O)[O-])C=C1	REAL300012649579	1	50	0.0	-73.85	384.30	4.53	-69.32
CCC(C)N(CC(=O)[O-])C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649580	0	48	0.0	-55.34	351.93	6.72	-48.62
CCC(C)N(CC(=O)[O-])C(=O)NCC[N@H+]1CCCOCC1	REAL300012649580	1	48	0.0	-55.70	349.58	6.56	-49.14
CCC(COC)(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649581	0	49	0.0	-75.60	359.74	3.98	-71.62
CCC(COC)(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649581	1	49	0.0	-77.72	357.66	3.74	-73.98
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649582	0	52	0.0	-70.04	384.11	5.56	-64.48
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCCOCC1	REAL300012649582	1	52	0.0	-71.23	381.28	5.24	-65.99
O=C([O-])C1(NC(=O)NCC[N@@H+]2CCCOCC2)CCS(=O)(=O)CC1	REAL300012649583	0	49	0.0	-77.29	367.42	1.57	-75.72
O=C([O-])C1(NC(=O)NCC[N@H+]2CCCOCC2)CCS(=O)(=O)CC1	REAL300012649583	1	49	0.0	-77.93	364.64	1.39	-76.54
COCCC(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649584	0	46	0.0	-71.44	354.59	2.47	-68.97
COCCC(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649584	1	46	0.0	-72.88	352.04	2.29	-70.59
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649585	0	51	0.0	-69.67	369.61	6.79	-62.88
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCCOCC1	REAL300012649585	1	51	0.0	-71.48	368.70	6.56	-64.92
O=C([O-])C(CC(F)F)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649586	0	42	0.0	-66.06	331.30	3.99	-62.07
O=C([O-])C(CC(F)F)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649586	1	42	0.0	-68.34	329.22	3.70	-64.64
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649587	0	52	0.0	-78.18	372.47	7.44	-70.74
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649587	1	52	0.0	-81.01	368.92	7.62	-73.39
CCCN(C(=O)NCC[N@@H+]1CCCOCC1)C(C)C(=O)[O-]	REAL300012649588	0	48	0.0	-70.09	351.07	6.07	-64.02
CCCN(C(=O)NCC[N@H+]1CCCOCC1)C(C)C(=O)[O-]	REAL300012649588	1	48	0.0	-71.97	348.48	5.77	-66.20
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649589	0	52	0.0	-47.81	387.59	9.17	-38.64
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@H+]1CCCOCC1	REAL300012649589	1	52	0.0	-76.03	385.44	8.92	-67.11
CCC(NC(=O)NCC[N@@H+]1CCCOCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012649590	0	52	0.0	-69.96	398.90	7.61	-62.35
CCC(NC(=O)NCC[N@H+]1CCCOCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012649590	1	52	0.0	-71.72	396.22	7.41	-64.31
CCC(NC(=O)NCC[N@@H+]1CCCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012649591	0	52	0.0	-73.46	381.78	7.11	-66.35
CCC(NC(=O)NCC[N@H+]1CCCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012649591	1	52	0.0	-74.68	379.41	6.89	-67.79
COC1CCCC(C(NC(=O)NCC[N@@H+]2CCCOCC2)C(=O)[O-])C1	REAL300012649592	0	56	0.0	-75.66	412.03	4.87	-70.79
COC1CCCC(C(NC(=O)NCC[N@H+]2CCCOCC2)C(=O)[O-])C1	REAL300012649592	1	56	0.0	-71.73	402.04	4.60	-67.13
COC1(CC(NC(=O)NCC[N@@H+]2CCCOCC2)C(=O)[O-])CCC1	REAL300012649593	0	53	0.0	-72.18	385.08	4.58	-67.60
COC1(CC(NC(=O)NCC[N@H+]2CCCOCC2)C(=O)[O-])CCC1	REAL300012649593	1	53	0.0	-75.20	389.39	4.31	-70.89
O=C([O-])CN(C(=O)NCC[N@@H+]1CCCOCC1)C1CCOCC1	REAL300012649594	0	50	0.0	-57.20	363.62	5.11	-52.09
O=C([O-])CN(C(=O)NCC[N@H+]1CCCOCC1)C1CCOCC1	REAL300012649594	1	50	0.0	-57.17	361.33	4.88	-52.29
O=C([O-])CN(C(=O)NCC[N@@H+]1CCCOCC1)C1CCCCC1	REAL300012649595	0	52	0.0	-54.85	373.00	7.46	-47.39
O=C([O-])CN(C(=O)NCC[N@H+]1CCCOCC1)C1CCCCC1	REAL300012649595	1	52	0.0	-57.56	370.30	7.27	-50.29
C[C@H]1CC[C@@](NC(=O)NCC[N@@H+]2CCCOCC2)(C(=O)[O-])CC1	REAL300012649596	0	52	0.0	-73.90	364.27	6.02	-67.88
C[C@H]1CC[C@@](NC(=O)NCC[N@H+]2CCCOCC2)(C(=O)[O-])CC1	REAL300012649596	1	52	0.0	-75.90	361.95	5.78	-70.12
COC1=CC=CC(C(NC(=O)NCC[N@@H+]2CCCOCC2)C(=O)[O-])=C1	REAL300012649597	0	50	0.0	-74.98	386.76	4.81	-70.17
COC1=CC=CC(C(NC(=O)NCC[N@H+]2CCCOCC2)C(=O)[O-])=C1	REAL300012649597	1	50	0.0	-75.81	383.68	4.57	-71.24
CC(CCF)(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649598	0	45	0.0	-67.36	332.08	3.88	-63.48
CC(CCF)(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649598	1	45	0.0	-68.97	329.35	3.68	-65.29
O=C([O-])C1C2=C(CCN1C(=O)NCC[N@@H+]1CCCOCC1)OC=C2	REAL300012649599	0	47	0.0	-58.85	354.43	5.91	-52.94
O=C([O-])C1C2=C(CCN1C(=O)NCC[N@H+]1CCCOCC1)OC=C2	REAL300012649599	1	47	0.0	-61.42	352.17	5.89	-55.53
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649600	0	43	0.0	-73.02	335.19	5.03	-67.99
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649600	1	43	0.0	-73.08	331.15	4.93	-68.15
COC1=CC=CC([C@H](NC(=O)NCC[N@@H+]2CCCOCC2)C(=O)[O-])=C1	REAL300012649601	0	50	0.0	-74.78	387.00	4.73	-70.05
COC1=CC=CC([C@H](NC(=O)NCC[N@H+]2CCCOCC2)C(=O)[O-])=C1	REAL300012649601	1	50	0.0	-76.54	384.27	4.52	-72.02
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC[N@@H+]2CCCOCC2)C1	REAL300012649602	0	52	0.0	-77.54	385.59	6.08	-71.46
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC[N@H+]2CCCOCC2)C1	REAL300012649602	1	52	0.0	-80.42	383.47	6.95	-73.47
COC1=CC=CC(CC(NC(=O)NCC[N@@H+]2CCCOCC2)C(=O)[O-])=C1	REAL300012649603	0	53	0.0	-75.31	408.61	5.78	-69.53
COC1=CC=CC(CC(NC(=O)NCC[N@H+]2CCCOCC2)C(=O)[O-])=C1	REAL300012649603	1	53	0.0	-72.66	406.24	5.54	-67.12
CC1(C)CCCC(NC(=O)NCC[N@@H+]2CCCOCC2)(C(=O)[O-])C1	REAL300012649604	0	55	0.0	-75.36	378.77	6.45	-68.91
CC1(C)CCCC(NC(=O)NCC[N@H+]2CCCOCC2)(C(=O)[O-])C1	REAL300012649604	1	55	0.0	-77.03	375.88	6.30	-70.73
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649605	0	52	0.0	-69.38	399.20	7.12	-62.26
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649605	1	52	0.0	-71.51	396.92	6.89	-64.62
CC(NC(=O)NCC[N@@H+]1CCCOCC1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012649606	0	51	0.0	-67.49	393.11	6.93	-60.56
CC(NC(=O)NCC[N@H+]1CCCOCC1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012649606	1	51	0.0	-78.42	390.64	6.68	-71.74
COC1CN(C(=O)NCC[N@@H+]2CCCOCC2)C(C)(C(=O)[O-])C1	REAL300012649607	0	50	0.0	-76.88	370.57	4.80	-72.08
COC1CN(C(=O)NCC[N@H+]2CCCOCC2)C(C)(C(=O)[O-])C1	REAL300012649607	1	50	0.0	-75.46	367.28	4.67	-70.79
O=C([O-])C(CC1CCCOC1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649608	0	53	0.0	-71.09	388.55	4.89	-66.20
O=C([O-])C(CC1CCCOC1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649608	1	53	0.0	-72.86	390.04	4.01	-68.85
CC(C)(C)[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649609	0	48	0.0	-73.16	351.71	4.51	-68.65
CC(C)(C)[C@H](NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649609	1	48	0.0	-74.35	349.41	4.28	-70.07
C=C(Cl)CC(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649610	0	43	0.0	-72.65	350.19	4.45	-68.20
C=C(Cl)CC(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649610	1	43	0.0	-73.39	347.63	4.29	-69.10
O=C([O-])C12CCC(CC1)N2C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649611	0	47	0.0	-82.86	339.93	6.72	-76.14
O=C([O-])C12CCC(CC1)N2C(=O)NCC[N@H+]1CCCOCC1	REAL300012649611	1	47	0.0	-86.40	339.45	6.52	-79.88
CC(CC1=CC=C(F)C=C1)(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649612	0	52	0.0	-70.03	388.88	6.67	-63.36
CC(CC1=CC=C(F)C=C1)(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649612	1	52	0.0	-72.20	386.60	6.44	-65.76
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649613	0	43	0.0	-71.80	333.52	5.17	-66.63
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649613	1	43	0.0	-70.26	331.69	5.49	-64.77
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649614	0	43	0.0	-75.94	326.99	5.13	-70.81
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649614	1	43	0.0	-74.62	326.01	5.10	-69.52
O=C([O-])C(CC1CCOCC1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649615	0	53	0.0	-71.53	388.14	4.88	-66.65
O=C([O-])C(CC1CCOCC1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649615	1	53	0.0	-72.93	385.58	4.70	-68.23
CC(C)C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649616	0	48	0.0	-70.66	359.20	4.68	-65.98
CC(C)C[C@H](NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649616	1	48	0.0	-73.54	357.31	4.48	-69.06
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1CCOCC1	REAL300012649617	0	50	0.0	-71.15	369.42	3.44	-67.71
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1CCOCC1	REAL300012649617	1	50	0.0	-74.40	368.62	3.22	-71.18
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1=CC=CC=C1	REAL300012649618	0	46	0.0	-72.33	357.53	5.44	-66.89
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1=CC=CC=C1	REAL300012649618	1	46	0.0	-73.47	354.50	5.32	-68.15
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012649619	0	49	0.0	-72.25	396.14	6.48	-65.77
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012649619	1	49	0.0	-72.86	393.24	6.28	-66.58
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649620	0	45	0.0	-69.82	366.30	3.55	-66.27
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649620	1	45	0.0	-73.70	363.80	3.31	-70.39
CC(C)CCCC(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649621	0	54	0.0	-71.91	402.98	6.24	-65.67
CC(C)CCCC(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649621	1	54	0.0	-72.57	400.42	6.06	-66.51
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649622	0	52	0.0	-74.97	407.95	6.89	-68.08
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649622	1	52	0.0	-77.03	406.48	6.65	-70.38
O=C([O-])C(CC1CCCO1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649623	0	50	0.0	-76.22	377.52	3.75	-72.47
O=C([O-])C(CC1CCCO1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649623	1	50	0.0	-76.58	374.51	3.60	-72.98
CSCC(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649624	0	43	0.0	-69.12	344.39	3.81	-65.31
CSCC(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649624	1	43	0.0	-69.75	341.84	3.64	-66.11
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649625	0	49	0.0	-71.19	385.95	6.51	-64.68
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649625	1	49	0.0	-72.09	383.21	6.31	-65.78
CCC(C)CC(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649626	0	51	0.0	-72.30	377.85	5.36	-66.94
CCC(C)CC(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649626	1	51	0.0	-73.73	375.60	5.14	-68.59
C=CCCCC(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649627	0	49	0.0	-71.51	376.73	5.51	-66.00
C=CCCCC(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649627	1	49	0.0	-72.60	374.41	5.28	-67.32
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649628	0	49	0.0	-70.97	386.12	6.46	-64.51
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649628	1	49	0.0	-72.82	383.40	6.25	-66.57
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1=CC=CC2=CC=CC=C21	REAL300012649629	0	52	0.0	-70.87	398.85	7.84	-63.03
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1=CC=CC2=CC=CC=C21	REAL300012649629	1	52	0.0	-77.85	395.54	7.39	-70.46
O=C([O-])C1CSCCN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649630	0	44	0.0	-78.28	330.89	6.29	-71.99
O=C([O-])C1CSCCN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649630	1	44	0.0	-79.76	328.53	6.23	-73.53
CC(NC(=O)NCC[N@@H+]1CCCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012649631	0	49	0.0	-73.08	365.31	6.22	-66.86
CC(NC(=O)NCC[N@H+]1CCCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012649631	1	49	0.0	-73.82	362.42	6.02	-67.80
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649632	0	47	0.0	-83.26	341.16	6.83	-76.43
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC[N@H+]1CCCOCC1	REAL300012649632	1	47	0.0	-84.10	338.98	6.69	-77.41
CCN(C(=O)NCC[N@@H+]1CCCOCC1)C(C)(C)C(=O)[O-]	REAL300012649633	0	48	0.0	-72.85	345.60	6.16	-66.69
CCN(C(=O)NCC[N@H+]1CCCOCC1)C(C)(C)C(=O)[O-]	REAL300012649633	1	48	0.0	-74.53	342.57	5.95	-68.58
CCCN(C(=O)NCC[N@@H+]1CCCOCC1)C(C)C(=O)[O-]	REAL300012649634	0	48	0.0	-70.09	351.07	6.07	-64.02
CCCN(C(=O)NCC[N@H+]1CCCOCC1)C(C)C(=O)[O-]	REAL300012649634	1	48	0.0	-71.97	348.48	5.77	-66.20
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649635	0	42	0.0	-67.04	333.46	5.73	-61.31
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[N@H+]1CCCOCC1	REAL300012649635	1	42	0.0	-68.71	331.17	5.48	-63.23
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649636	0	42	0.0	-67.04	333.46	5.73	-61.31
O=C([O-])CN(CC(F)(F)F)C(=O)NCC[N@H+]1CCCOCC1	REAL300012649636	1	42	0.0	-68.71	331.17	5.48	-63.23
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649637	0	55	0.0	-56.47	407.62	3.66	-52.81
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC[N@H+]1CCCOCC1	REAL300012649637	1	55	0.0	-59.12	404.90	3.46	-55.66
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649638	0	44	0.0	-79.93	333.09	1.53	-78.40
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649638	1	44	0.0	-78.62	330.72	1.61	-77.01
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCN2CCCOCC2)CC1	REAL300012649639	1	59	0.0	-58.87	429.29	3.75	-55.12
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649640	0	50	0.0	-50.15	374.41	8.32	-41.83
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@H+]1CCCOCC1	REAL300012649640	1	50	0.0	-54.77	371.46	7.95	-46.82
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC[N@@H+]2CCCOCC2)[C@H]1C(=O)[O-]	REAL300012649641	0	53	0.0	-63.40	383.59	8.46	-54.94
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC[N@H+]2CCCOCC2)[C@H]1C(=O)[O-]	REAL300012649641	1	53	0.0	-62.18	381.63	8.32	-53.86
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649642	0	51	0.0	-72.03	377.15	6.58	-65.45
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649642	1	51	0.0	-73.56	374.21	6.37	-67.19
O=C([O-])[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)C1=CC=CC=C1	REAL300012649643	0	46	0.0	-73.02	357.51	5.44	-67.58
O=C([O-])[C@H](NC(=O)NCC[N@H+]1CCCOCC1)C1=CC=CC=C1	REAL300012649643	1	46	0.0	-73.95	354.79	5.25	-68.70
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300012649644	0	49	0.0	-68.48	396.21	6.44	-62.04
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300012649644	1	49	0.0	-70.23	393.55	6.24	-63.99
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649645	0	51	0.0	-73.58	396.37	5.45	-68.13
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649645	1	51	0.0	-75.52	394.91	5.20	-70.32
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649646	0	45	0.0	-74.13	365.87	3.42	-70.71
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649646	1	45	0.0	-75.44	363.31	3.24	-72.20
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649647	0	46	0.0	-68.06	385.82	5.19	-62.87
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649647	1	46	0.0	-70.12	383.08	4.99	-65.13
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649648	1	46	0.0	-88.17	350.61	2.83	-85.34
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649648	1	46	0.0	-89.36	347.59	2.62	-86.74
CN1CC(C(=O)[O-])N(C(=O)NCC[N@@H+]2CCCOCC2)CC1=O	REAL300012649649	0	47	0.0	-72.34	348.03	4.65	-67.69
CN1CC(C(=O)[O-])N(C(=O)NCC[N@H+]2CCCOCC2)CC1=O	REAL300012649649	1	47	0.0	-72.52	344.39	4.15	-68.37
O=C([O-])[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)C1=CC=CC=C1	REAL300012649650	0	46	0.0	-72.31	357.47	5.44	-66.87
O=C([O-])[C@@H](NC(=O)NCC[N@H+]1CCCOCC1)C1=CC=CC=C1	REAL300012649650	1	46	0.0	-73.40	354.15	5.27	-68.13
CC(CN1C=CC=N1)(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649651	0	49	0.0	-71.31	370.86	4.85	-66.46
CC(CN1C=CC=N1)(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649651	1	49	0.0	-75.21	364.17	4.58	-70.63
O=C([O-])CN(C(=O)NCC[N@@H+]1CCCOCC1)C1CCCC1	REAL300012649652	0	49	0.0	-54.48	355.61	6.75	-47.73
O=C([O-])CN(C(=O)NCC[N@H+]1CCCOCC1)C1CCCC1	REAL300012649652	1	49	0.0	-57.23	352.89	6.55	-50.68
CC[C@H](C)[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649653	0	48	0.0	-72.07	352.58	4.33	-67.74
CC[C@H](C)[C@H](NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649653	1	48	0.0	-74.01	349.85	4.13	-69.88
O=C([O-])C1(NC(=O)NCC[N@@H+]2CCCOCC2)CC(CO)C1	REAL300012649654	0	47	0.0	-80.96	352.75	1.26	-79.70
O=C([O-])C1(NC(=O)NCC[N@H+]2CCCOCC2)CC(CO)C1	REAL300012649654	1	47	0.0	-76.62	352.03	1.17	-75.45
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649655	0	55	0.0	-71.76	401.79	4.55	-67.21
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649655	1	55	0.0	-73.48	397.91	4.39	-69.09
CC1CCC(NC(=O)NCC[N@@H+]2CCCOCC2)(C(=O)[O-])C1	REAL300012649656	0	49	0.0	-74.23	357.51	5.06	-69.17
CC1CCC(NC(=O)NCC[N@H+]2CCCOCC2)(C(=O)[O-])C1	REAL300012649656	1	49	0.0	-76.23	353.66	4.90	-71.33
CC1(C)CCCC1(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649657	0	52	0.0	-75.23	366.85	5.85	-69.38
CC1(C)CCCC1(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649657	1	52	0.0	-75.88	364.18	5.63	-70.25
COCCC(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649658	0	46	0.0	-71.44	354.59	2.47	-68.97
COCCC(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649658	1	46	0.0	-72.88	352.04	2.29	-70.59
CN(C(=O)NCC[N@@H+]1CCCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012649659	0	52	0.0	-70.78	388.80	8.42	-62.36
CN(C(=O)NCC[N@H+]1CCCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012649659	1	52	0.0	-72.71	385.62	8.11	-64.60
CC1(C)CC(NC(=O)NCC[N@@H+]2CCCOCC2)(C(=O)[O-])C1	REAL300012649660	0	49	0.0	-76.89	358.72	5.78	-71.11
CC1(C)CC(NC(=O)NCC[N@H+]2CCCOCC2)(C(=O)[O-])C1	REAL300012649660	1	49	0.0	-77.28	356.19	5.59	-71.69
CC1CCC(NC(=O)NCC[N@@H+]2CCCOCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012649661	0	56	0.0	-75.61	406.16	7.75	-67.86
CC1CCC(NC(=O)NCC[N@H+]2CCCOCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012649661	1	56	0.0	-78.35	403.45	7.64	-70.71
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649662	0	55	0.0	-73.16	405.24	4.65	-68.51
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649662	1	55	0.0	-73.82	402.58	4.49	-69.33
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649663	0	44	0.0	-83.63	330.79	1.76	-81.87
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649663	1	44	0.0	-82.81	330.22	1.79	-81.02
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649664	0	54	0.0	-59.46	399.67	9.00	-50.46
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649664	1	54	0.0	-61.45	396.83	8.72	-52.73
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1CCOC1	REAL300012649665	0	47	0.0	-73.55	347.80	2.40	-71.15
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1CCOC1	REAL300012649665	1	47	0.0	-72.47	346.42	2.20	-70.27
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649666	0	47	0.0	-81.08	341.94	6.40	-74.68
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC[N@H+]1CCCOCC1	REAL300012649666	1	47	0.0	-82.60	339.41	6.21	-76.39
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1=CNC2=CC=CC=C12	REAL300012649667	0	50	0.0	-78.69	389.02	5.52	-73.17
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1=CNC2=CC=CC=C12	REAL300012649667	1	50	0.0	-81.97	386.71	5.31	-76.66
O=C([O-])C12COC(CN1C(=O)NCC[N@@H+]1CCCOCC1)C2	REAL300012649668	0	45	0.0	-78.02	334.82	4.08	-73.94
O=C([O-])C12COC(CN1C(=O)NCC[N@H+]1CCCOCC1)C2	REAL300012649668	1	45	0.0	-79.71	331.09	4.01	-75.70
CC1CCC(C(=O)[O-])N(C(=O)NCC[N@@H+]2CCCOCC2)C1	REAL300012649669	0	49	0.0	-79.24	351.96	6.88	-72.36
CC1CCC(C(=O)[O-])N(C(=O)NCC[N@H+]2CCCOCC2)C1	REAL300012649669	1	49	0.0	-79.92	348.70	6.72	-73.20
CC(C1=CC=CC=C1)C(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649670	0	52	0.0	-71.28	394.24	6.75	-64.53
CC(C1=CC=CC=C1)C(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649670	1	52	0.0	-74.26	393.76	6.59	-67.67
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649671	0	53	0.0	-70.51	388.59	7.20	-63.31
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649671	1	53	0.0	-72.69	391.04	6.38	-66.31
CC1(C)CC(NC(=O)NCC[N@@H+]2CCCOCC2)(C(=O)[O-])CC(C)(C)O1	REAL300012649672	0	59	0.0	-74.48	414.73	6.21	-68.27
CC1(C)CC(NC(=O)NCC[N@H+]2CCCOCC2)(C(=O)[O-])CC(C)(C)O1	REAL300012649672	1	59	0.0	-74.77	411.83	5.92	-68.85
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1CCCCC1	REAL300012649673	0	52	0.0	-73.26	375.65	5.57	-67.69
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1CCCCC1	REAL300012649673	1	52	0.0	-72.53	374.44	5.58	-66.95
O=C([O-])C(CC1CCCCO1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649674	0	53	0.0	-75.82	395.54	4.55	-71.27
O=C([O-])C(CC1CCCCO1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649674	1	53	0.0	-72.22	390.87	4.89	-67.33
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649675	0	53	0.0	-48.46	366.71	7.12	-41.34
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649675	1	53	0.0	-47.93	367.07	7.12	-40.81
CC1(C)CC(NC(=O)NCC[N@@H+]2CCCOCC2)(C(=O)[O-])CCO1	REAL300012649676	0	53	0.0	-76.01	371.33	4.38	-71.63
CC1(C)CC(NC(=O)NCC[N@H+]2CCCOCC2)(C(=O)[O-])CCO1	REAL300012649676	1	53	0.0	-76.66	368.43	4.23	-72.43
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649677	0	52	0.0	-73.14	417.54	7.69	-65.45
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649677	1	52	0.0	-75.48	408.11	7.67	-67.81
CC1=CC=CC2=C1CCN(C(=O)NCC[N@@H+]1CCCOCC1)C2C(=O)[O-]	REAL300012649678	0	53	0.0	-58.38	390.59	8.29	-50.09
CC1=CC=CC2=C1CCN(C(=O)NCC[N@H+]1CCCOCC1)C2C(=O)[O-]	REAL300012649678	1	53	0.0	-60.89	386.13	8.22	-52.67
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649679	0	47	0.0	-51.23	342.91	6.32	-44.91
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O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012649734	1	56	0.0	-74.23	429.00	8.64	-65.59
CC1(C)CC(C(=O)[O-])N(C(=O)NCC[N@@H+]2CCCOCC2)C1	REAL300012649735	0	49	0.0	-52.69	360.44	6.06	-46.63
CC1(C)CC(C(=O)[O-])N(C(=O)NCC[N@H+]2CCCOCC2)C1	REAL300012649735	1	49	0.0	-51.77	357.21	5.85	-45.92
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649736	0	50	0.0	-55.31	384.57	7.86	-47.45
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649736	1	50	0.0	-57.62	381.55	7.67	-49.95
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649737	0	46	0.0	-78.22	342.30	6.38	-71.84
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649737	1	46	0.0	-79.44	339.71	6.22	-73.22
O=C([O-])C1N(C(=O)NCC[N@@H+]2CCCOCC2)CCC1(F)F	REAL300012649738	0	43	0.0	-77.80	329.98	5.48	-72.32
O=C([O-])C1N(C(=O)NCC[N@H+]2CCCOCC2)CCC1(F)F	REAL300012649738	1	43	0.0	-83.09	329.94	4.92	-78.17
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649739	0	49	0.0	-74.31	385.76	6.49	-67.82
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649739	1	49	0.0	-70.22	383.15	6.31	-63.91
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649740	0	46	0.0	-71.82	370.60	5.29	-66.53
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649740	1	46	0.0	-73.24	367.89	5.12	-68.12
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649741	0	46	0.0	-76.61	349.69	6.06	-70.55
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649741	1	46	0.0	-72.07	346.66	5.77	-66.30
O=C([O-])C1(NC(=O)NCC[N@@H+]2CCCOCC2)CC2(CC(F)(F)C2)C1	REAL300012649742	0	50	0.0	-75.37	384.64	6.10	-69.27
O=C([O-])C1(NC(=O)NCC[N@H+]2CCCOCC2)CC2(CC(F)(F)C2)C1	REAL300012649742	1	50	0.0	-76.96	381.91	5.91	-71.05
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649743	0	54	0.0	-75.78	407.33	7.68	-68.10
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649743	1	54	0.0	-78.24	406.15	7.22	-71.02
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649744	0	46	0.0	-71.82	370.60	5.29	-66.53
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649744	1	46	0.0	-73.24	367.89	5.12	-68.12
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649745	0	50	0.0	-79.07	358.08	6.69	-72.38
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649745	1	50	0.0	-78.31	357.62	6.48	-71.83
COCCCC(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649746	0	49	0.0	-70.48	375.26	3.25	-67.23
COCCCC(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649746	1	49	0.0	-71.93	373.53	3.06	-68.87
CCCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649747	0	48	0.0	-68.37	353.81	6.17	-62.20
CCCC(C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCCOCC1	REAL300012649747	1	48	0.0	-70.24	351.59	6.09	-64.15
CCOCC(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649748	0	46	0.0	-73.73	354.63	2.61	-71.12
CCOCC(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649748	1	46	0.0	-74.69	352.33	2.39	-72.30
CC(C)(C)CC(NC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300012649749	0	51	0.0	-72.62	371.78	5.80	-66.82
CC(C)(C)CC(NC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300012649749	1	51	0.0	-72.95	368.45	5.60	-67.35
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C1CCCCO1	REAL300012649750	0	50	0.0	-74.26	371.82	3.52	-70.74
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C1CCCCO1	REAL300012649750	1	50	0.0	-76.36	369.11	3.33	-73.03
O=C([O-])C1(NC(=O)NCC[N@@H+]2CCCOCC2)CC2=CC=CC=C2C1	REAL300012649751	0	50	0.0	-74.31	377.04	6.74	-67.57
O=C([O-])C1(NC(=O)NCC[N@H+]2CCCOCC2)CC2=CC=CC=C2C1	REAL300012649751	1	50	0.0	-75.52	374.25	6.50	-69.02
C[C@H]1OCCN(C(=O)NCC[N@@H+]2CCCOCC2)[C@@H]1C(=O)[O-]	REAL300012649752	0	47	0.0	-77.75	342.11	4.59	-73.16
C[C@H]1OCCN(C(=O)NCC[N@H+]2CCCOCC2)[C@@H]1C(=O)[O-]	REAL300012649752	1	47	0.0	-80.29	339.81	4.68	-75.61
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649753	0	49	0.0	-73.01	363.08	6.26	-66.75
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649753	1	49	0.0	-76.26	359.84	6.07	-70.19
O=C([O-])C(NC(=O)NCC[N@@H+]1CCCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300012649754	0	60	0.0	-75.69	413.47	7.51	-68.18
O=C([O-])C(NC(=O)NCC[N@H+]1CCCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300012649754	1	60	0.0	-76.51	410.50	7.34	-69.17
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649755	0	52	0.0	-73.46	403.84	6.79	-66.67
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649755	1	52	0.0	-76.87	406.70	6.49	-70.38
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649756	0	46	0.0	-56.48	359.94	6.32	-50.16
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC[N@H+]1CCCOCC1	REAL300012649756	1	46	0.0	-58.95	357.22	6.12	-52.83
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300012649757	0	57	0.0	-80.00	393.98	7.10	-72.90
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCC[N@H+]1CCCOCC1	REAL300012649757	1	57	0.0	-79.53	389.78	6.74	-72.79
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCC[N@@H+]1CCCOCC1	REAL300012649758	0	48	0.0	-68.30	391.26	5.07	-63.23
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCC[N@H+]1CCCOCC1	REAL300012649758	1	48	0.0	-74.73	388.86	4.84	-69.89
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+]2CCCOCC2)C1	REAL300012649759	0	50	0.0	-77.47	374.81	5.27	-72.20
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+]2CCCOCC2)C1	REAL300012649759	1	50	0.0	-76.64	374.59	4.97	-71.67
CC1=NC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300012649888	0	52	0.0	-63.63	419.38	6.14	-57.49
CC(C)C1=CC=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012650165	0	59	0.0	-63.35	451.40	9.34	-54.01
CC(C)C[C@H](NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650564	0	54	0.0	-74.57	437.40	9.96	-64.61
CC(C)C[C@H](NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650564	1	54	0.0	-86.30	418.21	8.57	-77.73
C=CC(C)C(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650565	0	52	0.0	-78.74	424.33	9.50	-69.24
C=CC(C)C(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650565	1	52	0.0	-79.56	431.95	9.68	-69.88
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650566	0	51	0.0	-61.73	413.73	10.93	-50.80
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650566	1	51	0.0	-66.91	399.77	9.82	-57.09
CC(C)C(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650567	0	51	0.0	-73.56	413.70	9.12	-64.44
CC(C)C(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650567	1	51	0.0	-80.56	413.11	8.85	-71.71
C[N@@H+]1CCC(CNC(=O)N2CCCCC2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650568	0	52	0.0	-93.32	402.40	10.98	-82.34
C[N@H+]1CCC(CNC(=O)N2CCCCC2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650568	1	52	0.0	-96.49	402.79	11.15	-85.34
C[N@@H+]1CCC(CNC(=O)N2CCCC2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650569	0	49	0.0	-91.58	393.18	9.25	-82.33
C[N@H+]1CCC(CNC(=O)N2CCCC2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650569	1	49	0.0	-92.94	392.67	9.78	-83.16
C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650570	0	52	0.0	-84.80	407.42	8.89	-75.91
C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650570	1	52	0.0	-90.56	408.11	9.32	-81.24
C[N@@H+]1CCC(CNC(=O)NCC(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650571	0	42	0.0	-69.65	357.80	6.67	-62.98
C[N@H+]1CCC(CNC(=O)NCC(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650571	1	42	0.0	-68.71	356.90	6.73	-61.98
CCC(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650572	0	48	0.0	-77.93	399.28	8.65	-69.28
CCC(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650572	1	48	0.0	-83.35	380.10	7.32	-76.03
CC(C)C(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650573	0	51	0.0	-73.56	413.70	9.12	-64.44
CC(C)C(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650573	1	51	0.0	-80.56	413.11	8.85	-71.71
CN(CC(=O)[O-])C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650574	0	45	0.0	-74.68	375.63	9.40	-65.28
CN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650574	1	45	0.0	-83.33	356.47	8.08	-75.25
CC(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650575	0	45	0.0	-69.09	378.00	7.53	-61.56
CC(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650575	1	45	0.0	-74.75	358.52	6.24	-68.51
CCC(C)C(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650576	0	54	0.0	-78.47	429.46	9.62	-68.85
CCC(C)C(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650576	1	54	0.0	-79.21	432.62	9.69	-69.52
CN(CC(=O)[O-])C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650577	0	45	0.0	-74.68	375.63	9.40	-65.28
CN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650577	1	45	0.0	-83.33	356.47	8.08	-75.25
C[N@@H+]1CCC(CNC(=O)N2CCCCC2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650578	0	52	0.0	-93.32	402.40	10.98	-82.34
C[N@H+]1CCC(CNC(=O)N2CCCCC2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650578	1	52	0.0	-96.49	402.79	11.15	-85.34
CCCC(C)(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650579	0	54	0.0	-74.04	425.16	9.72	-64.32
CCCC(C)(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650579	1	54	0.0	-86.72	405.98	8.39	-78.33
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650580	0	51	0.0	-62.92	407.58	10.66	-52.26
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650580	1	51	0.0	-76.57	408.04	10.59	-65.98
C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])C2CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650581	0	49	0.0	-63.61	393.77	9.99	-53.62
C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])C2CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650581	1	49	0.0	-65.33	394.61	10.54	-54.79
C=CCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650582	0	49	0.0	-67.29	411.16	10.90	-56.39
C=CCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650582	1	49	0.0	-61.83	410.27	10.95	-50.88
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650583	0	54	0.0	-61.84	433.61	11.66	-50.18
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650583	1	54	0.0	-67.41	434.51	11.61	-55.80
C[N@@H+]1CCC(CNC(=O)NC(C)(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650584	0	48	0.0	-73.57	371.09	6.64	-66.93
C[N@H+]1CCC(CNC(=O)NC(C)(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650584	1	48	0.0	-68.09	390.26	7.96	-60.13
C[N@@H+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650585	0	52	0.0	-88.38	393.99	8.38	-80.00
C[N@H+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650585	1	52	0.0	-78.77	413.16	9.71	-69.06
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650586	0	51	0.0	-62.92	407.58	10.66	-52.26
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650586	1	51	0.0	-76.57	408.04	10.59	-65.98
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650587	0	51	0.0	-61.73	413.73	10.93	-50.80
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650587	1	51	0.0	-66.91	399.77	9.82	-57.09
CCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650588	0	48	0.0	-78.52	392.24	10.18	-68.34
CCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650588	1	48	0.0	-86.89	373.07	8.85	-78.04
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650589	0	54	0.0	-75.96	430.76	9.54	-66.42
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650589	1	54	0.0	-87.59	411.59	8.22	-79.37
C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650590	0	52	0.0	-84.80	407.42	8.89	-75.91
C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650590	1	52	0.0	-90.56	408.11	9.32	-81.24
CCC(C)(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650591	0	51	0.0	-73.87	403.66	8.96	-64.91
CCC(C)(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650591	1	51	0.0	-79.26	404.56	8.89	-70.37
C[C@H](NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650592	0	45	0.0	-68.65	377.70	7.56	-61.09
C[C@H](NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650592	1	45	0.0	-75.86	358.52	6.24	-69.62
CCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650593	0	48	0.0	-78.52	392.24	10.18	-68.34
CCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650593	1	48	0.0	-86.89	373.07	8.85	-78.04
C[C@@H](NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650594	0	45	0.0	-70.18	378.00	7.53	-62.65
C[C@@H](NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650594	1	45	0.0	-75.22	358.83	6.20	-69.02
C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650595	0	46	0.0	-86.83	376.66	7.96	-78.87
C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650595	1	46	0.0	-92.62	377.47	8.38	-84.24
C[N@@H+]1CCC(CNC(=O)N2CCOCC2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650596	0	50	0.0	-90.04	393.18	8.23	-81.81
C[N@H+]1CCC(CNC(=O)N2CCOCC2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650596	1	50	0.0	-93.49	393.89	8.71	-84.78
C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650597	0	49	0.0	-84.43	390.11	7.81	-76.62
C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650597	1	49	0.0	-74.21	406.44	9.07	-65.14
C[N@@H+]1CCC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650598	0	49	0.0	-80.69	398.63	10.22	-70.47
C[N@H+]1CCC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650598	1	49	0.0	-84.03	399.03	10.18	-73.85
C[N@@H+]1CCC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650599	0	52	0.0	-88.19	401.90	10.73	-77.46
C[N@H+]1CCC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650599	1	52	0.0	-87.60	401.81	10.70	-76.90
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650600	0	48	0.0	-75.71	389.49	9.48	-66.23
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650600	1	48	0.0	-73.68	390.93	9.48	-64.20
C[N@@H+]1CCC(CNC(=O)N2CCC[C@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650601	0	49	0.0	-84.13	391.02	9.67	-74.46
C[N@H+]1CCC(CNC(=O)N2CCC[C@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650601	1	49	0.0	-90.25	390.83	9.70	-80.55
C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650602	0	49	0.0	-94.89	381.57	7.96	-86.93
C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650602	1	49	0.0	-81.64	400.65	9.29	-72.35
C=CCC(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650603	0	49	0.0	-83.52	393.63	7.71	-75.81
C=CCC(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650603	1	49	0.0	-74.66	412.83	9.03	-65.63
C[N@@H+]1CCC(CNC(=O)N2CCCC2(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650604	0	52	0.0	-93.23	396.21	9.71	-83.52
C[N@H+]1CCC(CNC(=O)N2CCCC2(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650604	1	52	0.0	-83.55	415.36	11.03	-72.52
C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650605	0	49	0.0	-84.43	390.11	7.81	-76.62
C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650605	1	49	0.0	-74.21	406.44	9.07	-65.14
CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650606	0	48	0.0	-74.73	390.54	9.64	-65.09
CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650606	1	48	0.0	-80.50	370.32	8.16	-72.34
CCCCC(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650607	0	54	0.0	-77.86	442.27	10.19	-67.67
CCCCC(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650607	1	54	0.0	-76.85	443.42	10.08	-66.77
C[N@@H+]1CCC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650608	0	52	0.0	-92.47	409.14	10.60	-81.87
C[N@H+]1CCC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650608	1	52	0.0	-92.22	409.10	10.63	-81.59
COCC(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650609	0	49	0.0	-75.92	410.88	6.81	-69.11
COCC(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650609	1	49	0.0	-88.00	392.20	5.50	-82.50
CC(C(=O)[O-])N(C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C1CC1	REAL300012650610	0	52	0.0	-69.73	409.71	10.60	-59.13
CC(C(=O)[O-])N(C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C1CC1	REAL300012650610	1	52	0.0	-81.05	406.37	10.41	-70.64
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650611	0	54	0.0	-61.84	433.61	11.66	-50.18
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650611	1	54	0.0	-67.41	434.51	11.61	-55.80
C[N@@H+]1CCC(CNC(=O)N(CC(=O)[O-])C2CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650612	0	49	0.0	-63.61	393.77	9.99	-53.62
C[N@H+]1CCC(CNC(=O)N(CC(=O)[O-])C2CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650612	1	49	0.0	-65.33	394.61	10.54	-54.79
C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650613	0	50	0.0	-88.84	385.93	5.74	-83.10
C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650613	1	50	0.0	-74.23	405.26	7.10	-67.13
C=CCCC(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650614	0	52	0.0	-76.18	434.49	9.91	-66.27
C=CCCC(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650614	1	52	0.0	-77.75	433.59	9.97	-67.78
C[N@@H+]1CCC(CNC(=O)NC(CF)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650615	0	45	0.0	-72.71	362.13	6.25	-66.46
C[N@H+]1CCC(CNC(=O)NC(CF)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650615	1	45	0.0	-65.94	381.17	7.60	-58.34
CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650616	0	48	0.0	-74.73	390.54	9.64	-65.09
CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650616	1	48	0.0	-80.50	370.32	8.16	-72.34
CCC(CC)(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650617	0	54	0.0	-74.86	420.34	9.85	-65.01
CCC(CC)(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650617	1	54	0.0	-80.56	421.23	9.79	-70.77
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650618	0	54	0.0	-66.15	428.17	11.72	-54.43
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650618	1	54	0.0	-65.55	431.43	11.84	-53.71
C[N@@H+]1CCC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650619	0	52	0.0	-76.44	432.32	10.02	-66.42
C[N@H+]1CCC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650619	1	52	0.0	-75.06	431.13	10.13	-64.93
CCCN(C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(C)C(=O)[O-]	REAL300012650620	0	54	0.0	-61.44	428.72	11.99	-49.45
CCCN(C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(C)C(=O)[O-]	REAL300012650620	1	54	0.0	-61.74	431.08	11.91	-49.83
C[N@@H+]1CCC(CNC(=O)NC(CCF)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650621	0	48	0.0	-75.89	407.01	8.67	-67.22
C[N@H+]1CCC(CNC(=O)NC(CCF)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650621	1	48	0.0	-77.39	406.11	8.72	-68.67
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650622	0	48	0.0	-72.57	389.62	9.64	-62.93
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650622	1	48	0.0	-76.89	390.52	9.59	-67.30
C[N@@H+]1CCC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1C1=CC=C(Cl)C(F)=C1	REAL300012650623	0	50	0.0	-96.46	400.54	10.05	-86.41
C[N@H+]1CCC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1C1=CC=C(Cl)C(F)=C1	REAL300012650623	1	50	0.0	-99.21	399.45	10.75	-88.46
C[N@@H+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650624	0	54	0.0	-86.55	409.53	8.38	-78.17
C[N@H+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650624	1	54	0.0	-75.22	429.64	9.77	-65.45
C=C(C)CC(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650625	0	52	0.0	-84.61	413.51	8.57	-76.04
C=C(C)CC(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650625	1	52	0.0	-75.05	433.37	9.77	-65.28
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@@H+](C)C2C2=CC=C(Cl)C(F)=C2)C1	REAL300012650626	0	50	0.0	-84.54	405.27	9.73	-74.81
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@H+](C)C2C2=CC=C(Cl)C(F)=C2)C1	REAL300012650626	1	50	0.0	-95.07	407.29	10.14	-84.93
CC(C)C[C@H](NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650627	0	54	0.0	-74.57	437.40	9.96	-64.61
CC(C)C[C@H](NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650627	1	54	0.0	-86.30	418.21	8.57	-77.73
C[N@@H+]1CCC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650628	0	52	0.0	-76.44	432.32	10.02	-66.42
C[N@H+]1CCC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650628	1	52	0.0	-75.06	431.13	10.13	-64.93
COC[C@H](NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650629	0	49	0.0	-76.63	411.37	6.82	-69.81
COC[C@H](NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650629	1	49	0.0	-87.89	392.20	5.50	-82.39
CC[C@H](NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650630	0	48	0.0	-74.42	398.69	8.61	-65.81
CC[C@H](NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650630	1	48	0.0	-86.20	380.11	7.32	-78.88
C[N@@H+]1CCC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650631	0	49	0.0	-80.69	398.63	10.22	-70.47
C[N@H+]1CCC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650631	1	49	0.0	-84.03	399.03	10.18	-73.85
CCCC(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650632	0	51	0.0	-77.92	420.77	9.41	-68.51
CCCC(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650632	1	51	0.0	-86.75	401.85	8.03	-78.72
CC(C)[C@@H](NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650633	0	51	0.0	-78.79	416.58	9.17	-69.62
CC(C)[C@@H](NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650633	1	51	0.0	-76.45	411.86	8.93	-67.52
CCN(C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(C)(C)C(=O)[O-]	REAL300012650634	0	54	0.0	-76.98	424.20	11.33	-65.65
CCN(C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(C)(C)C(=O)[O-]	REAL300012650634	1	54	0.0	-90.32	405.08	10.03	-80.29
CCCN(C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(C)C(=O)[O-]	REAL300012650635	0	54	0.0	-61.44	428.72	11.99	-49.45
CCCN(C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(C)C(=O)[O-]	REAL300012650635	1	54	0.0	-61.74	431.08	11.91	-49.83
CN(C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(C)(C)C(=O)[O-]	REAL300012650636	0	51	0.0	-80.46	404.65	10.49	-69.97
CN(C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(C)(C)C(=O)[O-]	REAL300012650636	1	51	0.0	-79.58	405.65	10.40	-69.18
C[N@@H+]1CCC(CNC(=O)N2CCC[C@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650637	0	49	0.0	-84.13	391.02	9.67	-74.46
C[N@H+]1CCC(CNC(=O)N2CCC[C@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650637	1	49	0.0	-90.25	390.83	9.70	-80.55
C[N@@H+]1CCC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650638	0	50	0.0	-90.37	403.10	5.96	-84.41
C[N@H+]1CCC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650638	1	50	0.0	-89.59	402.83	6.01	-83.58
CCC[C@@H](NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650639	0	51	0.0	-78.37	421.02	9.35	-69.02
CCC[C@@H](NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650639	1	51	0.0	-83.89	401.85	8.02	-75.87
C=CCCC(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650640	0	52	0.0	-76.18	434.49	9.91	-66.27
C=CCCC(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650640	1	52	0.0	-77.75	433.59	9.97	-67.78
C[N@@H+]1CCC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650641	0	52	0.0	-79.82	415.28	11.06	-68.76
C[N@H+]1CCC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650641	1	52	0.0	-95.70	396.23	9.69	-86.01
CC(C)[C@H](NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650642	0	51	0.0	-75.42	412.21	8.91	-66.51
CC(C)[C@H](NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650642	1	51	0.0	-85.71	391.47	7.57	-78.14
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650643	0	48	0.0	-72.57	389.62	9.64	-62.93
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650643	1	48	0.0	-76.89	390.52	9.59	-67.30
CCC[C@H](NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650644	0	51	0.0	-75.09	421.02	9.35	-65.74
CCC[C@H](NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650644	1	51	0.0	-86.65	401.84	8.02	-78.63
CCN(C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(C)C(=O)[O-]	REAL300012650645	0	51	0.0	-73.22	408.49	10.50	-62.72
CCN(C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(C)C(=O)[O-]	REAL300012650645	1	51	0.0	-74.05	408.12	10.37	-63.68
CC(CN(C)C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650646	0	51	0.0	-78.38	410.76	10.07	-68.31
CC(CN(C)C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650646	1	51	0.0	-90.49	391.87	9.00	-81.49
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650647	0	54	0.0	-75.96	430.76	9.54	-66.42
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650647	1	54	0.0	-87.59	411.59	8.22	-79.37
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650648	0	51	0.0	-72.71	411.14	10.77	-61.94
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650648	1	51	0.0	-77.61	410.81	10.67	-66.94
C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650649	0	52	0.0	-78.29	421.87	9.87	-68.42
C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650649	1	52	0.0	-76.30	424.08	9.55	-66.75
C[N@@H+]1CCC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650650	0	50	0.0	-98.74	402.66	6.56	-92.18
C[N@H+]1CCC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650650	1	50	0.0	-92.40	409.81	6.91	-85.49
C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650651	0	52	0.0	-80.07	424.48	9.51	-70.56
C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650651	1	52	0.0	-78.70	419.27	9.54	-69.16
C[N@@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650652	0	52	0.0	-80.07	424.48	9.51	-70.56
C[N@H+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650652	1	52	0.0	-78.70	419.27	9.54	-69.16
CC1CCN(C(=O)NCC2CC[N@H+](C)C2C2=CC=C(Cl)C(F)=C2)C1C(=O)[O-]	REAL300012650653	0	52	0.0	-92.66	406.57	10.56	-82.10
CC1CCN(C(=O)NCC2CC[N@@H+](C)C2C2=CC=C(Cl)C(F)=C2)C1C(=O)[O-]	REAL300012650653	1	52	0.0	-92.81	413.75	9.84	-82.97
C=CCC(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650654	0	49	0.0	-83.52	393.63	7.71	-75.81
C=CCC(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650654	1	49	0.0	-74.66	412.83	9.03	-65.63
C[N@@H+]1CCC(CNC(=O)NC2(C(=O)[O-])COC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650655	0	47	0.0	-82.01	384.28	5.51	-76.50
C[N@H+]1CCC(CNC(=O)NC2(C(=O)[O-])COC2)C1C1=CC=C(Cl)C(F)=C1	REAL300012650655	1	47	0.0	-84.80	384.58	6.08	-78.72
CC(C)C(C)(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650656	0	54	0.0	-77.76	418.58	9.57	-68.19
CC(C)C(C)(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650656	1	54	0.0	-76.65	419.48	9.52	-67.13
C[N@@H+]1CCC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650657	0	50	0.0	-90.35	405.24	11.72	-78.63
C[N@H+]1CCC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650657	1	50	0.0	-96.29	399.39	11.26	-85.03
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650658	0	54	0.0	-76.83	424.57	11.44	-65.39
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650658	1	54	0.0	-78.70	427.15	11.99	-66.71
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650659	0	52	0.0	-97.36	403.37	8.97	-88.39
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300012650659	1	52	0.0	-89.00	423.55	10.22	-78.78
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650660	0	54	0.0	-76.60	431.43	11.34	-65.26
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650660	1	54	0.0	-80.60	412.25	10.10	-70.50
C[N@@H+]1CCC(CNC(=O)NC(CCC#N)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650661	0	49	0.0	-88.12	401.19	7.76	-80.36
C[N@H+]1CCC(CNC(=O)NC(CCC#N)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300012650661	1	49	0.0	-80.22	420.37	9.08	-71.14
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650662	0	48	0.0	-75.71	389.49	9.48	-66.23
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300012650662	1	48	0.0	-73.68	390.93	9.48	-64.20
CC(C)CC1CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCO1	REAL300012650833	0	63	0.0	-57.78	459.92	7.37	-50.41
CC(C)C1CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCO1	REAL300012651111	0	60	0.0	-61.19	439.61	7.17	-54.02
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2)=C1	REAL300012651775	1	59	0.0	-76.47	455.60	7.26	-69.21
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2)=C1	REAL300012651775	1	59	0.0	-76.30	455.28	7.24	-69.06
C=CC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651776	1	57	0.0	-74.44	446.61	7.05	-67.39
C=CC(C)C(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651776	1	57	0.0	-75.10	446.55	6.94	-68.16
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651777	1	56	0.0	-59.40	434.44	8.36	-51.04
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651777	1	56	0.0	-59.76	436.38	8.49	-51.27
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C(C)C)C2)=C1	REAL300012651778	1	56	0.0	-76.28	430.11	6.30	-69.98
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NC(C(=O)[O-])C(C)C)C2)=C1	REAL300012651778	1	56	0.0	-74.26	429.19	6.34	-67.92
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CCCCC3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651779	1	57	0.0	-83.79	425.04	8.74	-75.05
COC1=CC(C[N@H+]2CCC(NC(=O)N3CCCCC3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651779	1	57	0.0	-84.48	427.12	8.87	-75.61
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CCCC3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651780	1	54	0.0	-84.07	416.46	7.33	-76.74
COC1=CC(C[N@H+]2CCC(NC(=O)N3CCCC3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651780	1	54	0.0	-82.08	416.52	7.33	-74.75
COC1=CC(C[N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC3)C2)=CC(OC)=C1	REAL300012651781	1	57	0.0	-79.38	432.87	7.10	-72.28
COC1=CC(C[N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC3)C2)=CC(OC)=C1	REAL300012651781	1	57	0.0	-81.02	432.24	7.11	-73.91
COC1=CC(C[N@@H+]2CCC(NC(=O)NCC(=O)[O-])C2)=CC(OC)=C1	REAL300012651782	1	47	0.0	-67.80	374.33	4.09	-63.71
COC1=CC(C[N@H+]2CCC(NC(=O)NCC(=O)[O-])C2)=CC(OC)=C1	REAL300012651782	1	47	0.0	-68.10	375.56	4.14	-63.96
CCC(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651783	1	53	0.0	-74.98	414.18	5.81	-69.17
CCC(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651783	1	53	0.0	-75.70	416.36	5.95	-69.75
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C(C)C)C2)=C1	REAL300012651784	1	56	0.0	-76.28	430.11	6.30	-69.98
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NC(C(=O)[O-])C(C)C)C2)=C1	REAL300012651784	1	56	0.0	-74.26	429.19	6.34	-67.92
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N(C)CC(=O)[O-])C2)=C1	REAL300012651785	1	50	0.0	-76.29	391.60	6.65	-69.64
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N(C)CC(=O)[O-])C2)=C1	REAL300012651785	1	50	0.0	-75.85	392.90	6.78	-69.07
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NC(C)C(=O)[O-])C2)=C1	REAL300012651786	1	50	0.0	-68.34	395.08	4.82	-63.52
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NC(C)C(=O)[O-])C2)=C1	REAL300012651786	1	50	0.0	-67.29	393.02	4.80	-62.49
CCC(C)C(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651787	1	59	0.0	-75.27	444.59	6.73	-68.54
CCC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651787	1	59	0.0	-78.36	447.84	6.84	-71.52
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N(C)CC(=O)[O-])C2)=C1	REAL300012651788	1	50	0.0	-76.29	391.60	6.65	-69.64
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N(C)CC(=O)[O-])C2)=C1	REAL300012651788	1	50	0.0	-75.85	392.90	6.78	-69.07
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CCCCC3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651789	1	57	0.0	-83.79	425.04	8.74	-75.05
COC1=CC(C[N@H+]2CCC(NC(=O)N3CCCCC3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651789	1	57	0.0	-84.48	427.12	8.87	-75.61
CCCC(C)(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651790	1	59	0.0	-76.26	440.65	6.91	-69.35
CCCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651790	1	59	0.0	-76.87	443.06	7.10	-69.77
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N(CC(=O)[O-])C(C)C)C2)=C1	REAL300012651791	1	56	0.0	-60.40	425.69	8.06	-52.34
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N(CC(=O)[O-])C(C)C)C2)=C1	REAL300012651791	1	56	0.0	-60.46	423.00	7.87	-52.59
COC1=CC(C[N@@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CC3)C2)=CC(OC)=C1	REAL300012651792	1	54	0.0	-78.29	420.22	8.17	-70.12
COC1=CC(C[N@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CC3)C2)=CC(OC)=C1	REAL300012651792	1	54	0.0	-76.27	420.35	8.18	-68.09
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651793	1	54	0.0	-61.38	424.93	8.17	-53.21
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651793	1	54	0.0	-61.80	428.91	8.36	-53.44
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N(CC(=O)[O-])CC(C)C)C2)=C1	REAL300012651794	1	59	0.0	-58.98	451.26	8.84	-50.14
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N(CC(=O)[O-])CC(C)C)C2)=C1	REAL300012651794	1	59	0.0	-61.89	452.26	9.07	-52.82
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NC(C)(C)C(=O)[O-])C2)=C1	REAL300012651795	1	53	0.0	-66.52	407.37	5.26	-61.26
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NC(C)(C)C(=O)[O-])C2)=C1	REAL300012651795	1	53	0.0	-66.80	407.80	5.35	-61.45
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NC(C)(C(=O)[O-])C3CC3)C2)=C1	REAL300012651796	1	57	0.0	-76.08	430.52	7.05	-69.03
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NC(C)(C(=O)[O-])C3CC3)C2)=C1	REAL300012651796	1	57	0.0	-77.65	430.64	7.09	-70.56
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N(CC(=O)[O-])C(C)C)C2)=C1	REAL300012651797	1	56	0.0	-60.40	425.69	8.06	-52.34
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N(CC(=O)[O-])C(C)C)C2)=C1	REAL300012651797	1	56	0.0	-60.46	423.00	7.87	-52.59
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651798	1	56	0.0	-59.40	434.44	8.36	-51.04
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651798	1	56	0.0	-59.76	436.38	8.49	-51.27
CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651799	1	53	0.0	-76.55	412.94	7.60	-68.95
CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651799	1	53	0.0	-77.41	414.88	7.74	-69.67
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651800	1	59	0.0	-75.47	446.21	6.84	-68.63
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651800	1	59	0.0	-75.72	446.53	6.87	-68.85
COC1=CC(C[N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC3)C2)=CC(OC)=C1	REAL300012651801	1	57	0.0	-79.38	432.87	7.10	-72.28
COC1=CC(C[N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCCC3)C2)=CC(OC)=C1	REAL300012651801	1	57	0.0	-81.02	432.24	7.11	-73.91
CCC(C)(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651802	1	56	0.0	-76.01	419.15	6.16	-69.85
CCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651802	1	56	0.0	-76.56	421.56	6.34	-70.22
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N[C@@H](C)C(=O)[O-])C2)=C1	REAL300012651803	1	50	0.0	-68.10	395.11	4.92	-63.18
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N[C@@H](C)C(=O)[O-])C2)=C1	REAL300012651803	1	50	0.0	-68.42	395.23	4.95	-63.47
CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651804	1	53	0.0	-76.55	412.94	7.60	-68.95
CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651804	1	53	0.0	-77.41	414.88	7.74	-69.67
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N[C@H](C)C(=O)[O-])C2)=C1	REAL300012651805	1	50	0.0	-68.17	396.35	4.95	-63.22
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N[C@H](C)C(=O)[O-])C2)=C1	REAL300012651805	1	50	0.0	-68.64	395.11	4.85	-63.79
COC1=CC(C[N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC3)C2)=CC(OC)=C1	REAL300012651806	1	51	0.0	-81.60	402.29	6.19	-75.41
COC1=CC(C[N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CC3)C2)=CC(OC)=C1	REAL300012651806	1	51	0.0	-81.21	401.36	6.13	-75.08
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CCOCC3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651807	1	55	0.0	-82.25	416.59	6.31	-75.94
COC1=CC(C[N@H+]2CCC(NC(=O)N3CCOCC3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651807	1	55	0.0	-82.46	415.88	6.25	-76.21
COC1=CC(C[N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CC3)C2)=CC(OC)=C1	REAL300012651808	1	54	0.0	-76.55	421.54	6.43	-70.12
COC1=CC(C[N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CC3)C2)=CC(OC)=C1	REAL300012651808	1	54	0.0	-77.44	419.26	6.28	-71.16
COCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651809	1	57	0.0	-62.54	447.48	6.98	-55.56
COCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651809	1	57	0.0	-60.39	446.26	6.92	-53.47
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651810	1	54	0.0	-84.18	416.44	7.33	-76.85
COC1=CC(C[N@H+]2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651810	1	54	0.0	-85.27	418.38	7.48	-77.79
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CCCC[C@@H]3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651811	1	57	0.0	-85.26	427.26	8.90	-76.36
COC1=CC(C[N@H+]2CCC(NC(=O)N3CCCC[C@@H]3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651811	1	57	0.0	-84.61	426.69	8.83	-75.78
COC1=CC(C[N@@H+]2CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651812	1	53	0.0	-73.71	408.43	7.05	-66.66
COC1=CC(C[N@H+]2CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651812	1	53	0.0	-73.29	409.21	7.05	-66.24
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CCC[C@H]3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651813	1	54	0.0	-83.12	417.26	7.49	-75.63
COC1=CC(C[N@H+]2CCC(NC(=O)N3CCC[C@H]3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651813	1	54	0.0	-85.06	418.01	7.44	-77.62
COC1=CC(C[N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCC3)C2)=CC(OC)=C1	REAL300012651814	1	54	0.0	-81.72	418.54	6.67	-75.05
COC1=CC(C[N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCC3)C2)=CC(OC)=C1	REAL300012651814	1	54	0.0	-81.11	415.75	6.51	-74.60
C=CCC(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651815	1	54	0.0	-75.43	429.63	6.40	-69.03
C=CCC(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651815	1	54	0.0	-75.23	430.10	6.49	-68.74
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N3CCCC3(C)C(=O)[O-])C2)=C1	REAL300012651816	1	57	0.0	-82.54	431.35	8.27	-74.27
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N3CCCC3(C)C(=O)[O-])C2)=C1	REAL300012651816	1	57	0.0	-82.63	430.86	8.23	-74.40
COC1=CC(C[N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CC3)C2)=CC(OC)=C1	REAL300012651817	1	54	0.0	-76.55	421.54	6.43	-70.12
COC1=CC(C[N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CC3)C2)=CC(OC)=C1	REAL300012651817	1	54	0.0	-77.44	419.26	6.28	-71.16
COC1=CC(C[N@@H+]2CCC(NC(=O)N(C)C(C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651818	1	53	0.0	-73.19	406.89	6.93	-66.26
COC1=CC(C[N@H+]2CCC(NC(=O)N(C)C(C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651818	1	53	0.0	-73.88	408.39	7.08	-66.80
CCCCC(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651819	1	59	0.0	-76.96	458.01	7.35	-69.61
CCCCC(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651819	1	59	0.0	-77.62	460.42	7.53	-70.09
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N3CCC[C@@]3(C)C(=O)[O-])C2)=C1	REAL300012651820	1	57	0.0	-81.21	433.27	8.44	-72.77
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N3CCC[C@@]3(C)C(=O)[O-])C2)=C1	REAL300012651820	1	57	0.0	-83.37	432.87	8.39	-74.98
COCC(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651821	1	54	0.0	-78.08	426.74	4.08	-74.00
COCC(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651821	1	54	0.0	-78.76	429.14	4.27	-74.49
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N(C(C)C(=O)[O-])C3CC3)C2)=C1	REAL300012651822	1	57	0.0	-72.93	426.95	8.06	-64.87
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N(C(C)C(=O)[O-])C3CC3)C2)=C1	REAL300012651822	1	57	0.0	-62.46	431.26	8.21	-54.25
COCC(C)(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651823	1	57	0.0	-79.62	439.45	5.61	-74.01
COCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651823	1	57	0.0	-81.24	439.80	5.63	-75.61
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N(CC(=O)[O-])CC(C)C)C2)=C1	REAL300012651824	1	59	0.0	-58.98	451.26	8.84	-50.14
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N(CC(=O)[O-])CC(C)C)C2)=C1	REAL300012651824	1	59	0.0	-61.89	452.26	9.07	-52.82
COC1=CC(C[N@@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CC3)C2)=CC(OC)=C1	REAL300012651825	1	54	0.0	-78.29	420.22	8.17	-70.12
COC1=CC(C[N@H+]2CCC(NC(=O)N(CC(=O)[O-])C3CC3)C2)=CC(OC)=C1	REAL300012651825	1	54	0.0	-76.27	420.35	8.18	-68.09
COC1=CC(C[N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCOC3)C2)=CC(OC)=C1	REAL300012651826	1	55	0.0	-75.09	423.12	4.48	-70.61
COC1=CC(C[N@H+]2CCC(NC(=O)NC3(C(=O)[O-])CCOC3)C2)=CC(OC)=C1	REAL300012651826	1	55	0.0	-75.07	422.31	4.40	-70.67
C=CCCC(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651827	1	57	0.0	-76.95	451.49	7.37	-69.58
C=CCCC(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651827	1	57	0.0	-76.84	449.32	7.13	-69.71
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NC(CF)C(=O)[O-])C2)=C1	REAL300012651828	1	50	0.0	-65.96	398.70	4.86	-61.10
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NC(CF)C(=O)[O-])C2)=C1	REAL300012651828	1	50	0.0	-64.96	396.80	4.79	-60.17
COC1=CC(C[N@@H+]2CCC(NC(=O)N(C)C(C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651829	1	53	0.0	-73.19	406.89	6.93	-66.26
COC1=CC(C[N@H+]2CCC(NC(=O)N(C)C(C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651829	1	53	0.0	-73.88	408.39	7.08	-66.80
CCC(CC)(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651830	1	59	0.0	-77.68	437.15	7.15	-70.53
CCC(CC)(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651830	1	59	0.0	-75.88	438.21	7.22	-68.66
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651831	1	59	0.0	-59.44	448.32	9.22	-50.22
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651831	1	59	0.0	-57.08	447.95	9.24	-47.84
COC1=CC(C[N@@H+]2CCC(NC(=O)NC(CC3CC3)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651832	1	57	0.0	-77.22	448.83	7.43	-69.79
COC1=CC(C[N@H+]2CCC(NC(=O)NC(CC3CC3)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651832	1	57	0.0	-77.56	448.66	7.52	-70.04
COCCC(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651833	1	57	0.0	-76.92	448.44	4.92	-72.00
COCCC(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651833	1	57	0.0	-77.63	450.85	5.10	-72.53
CCCN(C(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(C)C(=O)[O-]	REAL300012651834	1	59	0.0	-53.96	447.61	9.30	-44.66
CCCN(C(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(C)C(=O)[O-]	REAL300012651834	1	59	0.0	-51.52	447.34	9.30	-42.22
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NC(CCF)C(=O)[O-])C2)=C1	REAL300012651835	1	53	0.0	-76.38	423.77	6.18	-70.20
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NC(CCF)C(=O)[O-])C2)=C1	REAL300012651835	1	53	0.0	-76.13	421.60	5.94	-70.19
COC1=CC(C[N@@H+]2CCC(NC(=O)NC(C)(CCF)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651836	1	56	0.0	-72.46	427.33	6.38	-66.08
COC1=CC(C[N@H+]2CCC(NC(=O)NC(C)(CCF)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651836	1	56	0.0	-73.30	425.74	6.30	-67.00
COC1=CC(C[N@@H+]2CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651837	1	53	0.0	-72.64	408.45	7.03	-65.61
COC1=CC(C[N@H+]2CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651837	1	53	0.0	-73.81	408.09	7.02	-66.79
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CC4CC3(C(=O)[O-])C4)C2)=CC(OC)=C1	REAL300012651838	1	55	0.0	-87.28	421.55	8.34	-78.94
COC1=CC(C[N@H+]2CCC(NC(=O)N3CC4CC3(C(=O)[O-])C4)C2)=CC(OC)=C1	REAL300012651838	1	55	0.0	-87.83	420.97	8.33	-79.50
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2)=C1	REAL300012651839	1	59	0.0	-77.27	447.73	7.04	-70.23
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2)=C1	REAL300012651839	1	59	0.0	-76.96	445.81	6.91	-70.05
C=C(C)CC(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651840	1	57	0.0	-76.89	447.35	7.34	-69.55
C=C(C)CC(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651840	1	57	0.0	-75.80	448.89	6.99	-68.81
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C2)=C1	REAL300012651841	1	54	0.0	-81.06	424.92	7.56	-73.50
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C2)=C1	REAL300012651841	1	54	0.0	-80.77	423.15	7.54	-73.23
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3=CC(OC)=CC(OC)=C3)C2)C1	REAL300012651842	1	55	0.0	-82.98	431.74	7.91	-75.07
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3=CC(OC)=CC(OC)=C3)C2)C1	REAL300012651842	1	55	0.0	-81.25	427.80	7.80	-73.45
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2)=C1	REAL300012651843	1	59	0.0	-76.47	455.60	7.26	-69.21
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2)=C1	REAL300012651843	1	59	0.0	-76.30	455.28	7.24	-69.06
COC1=CC(C[N@@H+]2CCC(NC(=O)NC(CC3CC3)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651844	1	57	0.0	-77.22	448.83	7.43	-69.79
COC1=CC(C[N@H+]2CCC(NC(=O)NC(CC3CC3)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651844	1	57	0.0	-77.56	448.66	7.52	-70.04
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NC(CSC)C(=O)[O-])C2)=C1	REAL300012651845	1	54	0.0	-74.88	441.12	6.32	-68.56
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NC(CSC)C(=O)[O-])C2)=C1	REAL300012651845	1	54	0.0	-73.71	438.47	6.21	-67.50
COC[C@H](NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651846	1	54	0.0	-77.22	428.49	4.15	-73.07
COC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651846	1	54	0.0	-76.77	428.31	4.16	-72.61
CC[C@H](NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651847	1	53	0.0	-76.01	416.63	5.91	-70.10
CC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651847	1	53	0.0	-75.33	416.11	5.95	-69.38
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651848	1	54	0.0	-84.18	416.44	7.33	-76.85
COC1=CC(C[N@H+]2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651848	1	54	0.0	-85.27	418.38	7.48	-77.79
CCCC(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651849	1	56	0.0	-76.44	436.27	6.62	-69.82
CCCC(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651849	1	56	0.0	-77.75	438.92	6.74	-71.01
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N[C@@H](C(=O)[O-])C(C)C)C2)=C1	REAL300012651850	1	56	0.0	-78.17	433.98	6.50	-71.67
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N[C@@H](C(=O)[O-])C(C)C)C2)=C1	REAL300012651850	1	56	0.0	-76.31	429.16	6.30	-70.01
CCN(C(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(C)(C)C(=O)[O-]	REAL300012651851	1	59	0.0	-79.35	439.74	8.56	-70.79
CCN(C(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(C)(C)C(=O)[O-]	REAL300012651851	1	59	0.0	-78.04	442.07	8.74	-69.30
CCCN(C(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(C)C(=O)[O-]	REAL300012651852	1	59	0.0	-53.96	447.61	9.30	-44.66
CCCN(C(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(C)C(=O)[O-]	REAL300012651852	1	59	0.0	-51.52	447.34	9.30	-42.22
COC1=CC(C[N@@H+]2CCC(NC(=O)N(C)C(C)(C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651853	1	56	0.0	-78.59	421.86	7.74	-70.85
COC1=CC(C[N@H+]2CCC(NC(=O)N(C)C(C)(C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651853	1	56	0.0	-79.51	420.25	7.66	-71.85
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CCC[C@H]3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651854	1	54	0.0	-83.12	417.26	7.49	-75.63
COC1=CC(C[N@H+]2CCC(NC(=O)N3CCC[C@H]3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651854	1	54	0.0	-85.06	418.01	7.44	-77.62
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C2)=C1	REAL300012651855	1	55	0.0	-84.74	428.74	4.21	-80.53
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C2)=C1	REAL300012651855	1	55	0.0	-85.43	428.92	4.19	-81.24
CCC[C@@H](NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651856	1	56	0.0	-76.91	437.88	6.73	-70.18
CCC[C@@H](NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651856	1	56	0.0	-77.64	438.89	6.74	-70.90
C=CCCC(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651857	1	57	0.0	-76.95	451.49	7.37	-69.58
C=CCCC(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651857	1	57	0.0	-76.84	449.32	7.13	-69.71
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N3CCC[C@]3(C)C(=O)[O-])C2)=C1	REAL300012651858	1	57	0.0	-82.44	431.35	8.27	-74.17
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N3CCC[C@]3(C)C(=O)[O-])C2)=C1	REAL300012651858	1	57	0.0	-82.58	430.90	8.24	-74.34
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N[C@H](C(=O)[O-])C(C)C)C2)=C1	REAL300012651859	1	56	0.0	-76.58	433.98	6.51	-70.07
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N[C@H](C(=O)[O-])C(C)C)C2)=C1	REAL300012651859	1	56	0.0	-76.32	429.35	6.22	-70.10
COC1=CC(C[N@@H+]2CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651860	1	53	0.0	-72.64	408.45	7.03	-65.61
COC1=CC(C[N@H+]2CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651860	1	53	0.0	-73.81	408.09	7.02	-66.79
CCC[C@H](NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651861	1	56	0.0	-76.93	437.75	6.77	-70.16
CCC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651861	1	56	0.0	-75.83	438.89	6.73	-69.10
CCN(C(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(C)C(=O)[O-]	REAL300012651862	1	56	0.0	-76.59	428.00	8.49	-68.10
CCN(C(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(C)C(=O)[O-]	REAL300012651862	1	56	0.0	-77.62	426.40	8.36	-69.26
COC1=CC(C[N@@H+]2CCC(NC(=O)N(C)CC(C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651863	1	56	0.0	-82.29	429.34	7.72	-74.57
COC1=CC(C[N@H+]2CCC(NC(=O)N(C)CC(C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651863	1	56	0.0	-78.65	425.36	7.26	-71.39
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651864	1	59	0.0	-75.47	446.21	6.84	-68.63
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651864	1	59	0.0	-75.72	446.53	6.87	-68.85
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651865	1	56	0.0	-75.95	428.61	7.97	-67.98
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651865	1	56	0.0	-75.11	428.29	7.98	-67.13
COCCC(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651866	1	57	0.0	-76.92	448.44	4.92	-72.00
COCCC(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651866	1	57	0.0	-77.63	450.85	5.10	-72.53
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3(C)CC3)C2)=C1	REAL300012651867	1	57	0.0	-78.65	440.91	7.33	-71.32
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3(C)CC3)C2)=C1	REAL300012651867	1	57	0.0	-75.97	440.63	6.97	-69.00
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C2)=C1	REAL300012651868	1	55	0.0	-88.91	424.96	4.22	-84.69
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C2)=C1	REAL300012651868	1	55	0.0	-88.70	427.77	4.35	-84.35
COC1=CC(C[N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)C2)=CC(OC)=C1	REAL300012651869	1	57	0.0	-75.56	441.79	6.97	-68.59
COC1=CC(C[N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)C2)=CC(OC)=C1	REAL300012651869	1	57	0.0	-76.71	441.76	6.84	-69.87
COC1=CC(C[N@@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)C2)=CC(OC)=C1	REAL300012651870	1	57	0.0	-75.56	441.79	6.97	-68.59
COC1=CC(C[N@H+]2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)C2)=CC(OC)=C1	REAL300012651870	1	57	0.0	-76.71	441.76	6.84	-69.87
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N3CCC(C)C3C(=O)[O-])C2)=C1	REAL300012651871	1	57	0.0	-83.34	430.33	8.45	-74.89
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N3CCC(C)C3C(=O)[O-])C2)=C1	REAL300012651871	1	57	0.0	-85.39	436.33	7.88	-77.51
C=CCC(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651872	1	54	0.0	-75.43	429.63	6.40	-69.03
C=CCC(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651872	1	54	0.0	-75.23	430.10	6.49	-68.74
COC1=CC(C[N@@H+]2CCC(NC(=O)NC3(C(=O)[O-])COC3)C2)=CC(OC)=C1	REAL300012651873	1	52	0.0	-75.84	409.19	3.74	-72.10
COC1=CC(C[N@H+]2CCC(NC(=O)NC3(C(=O)[O-])COC3)C2)=CC(OC)=C1	REAL300012651873	1	52	0.0	-73.62	407.47	3.56	-70.06
COC1=CC(C[N@@H+]2CCC(NC(=O)NC(C)(C(=O)[O-])C(C)C)C2)=CC(OC)=C1	REAL300012651874	1	59	0.0	-75.92	438.29	7.04	-68.88
COC1=CC(C[N@H+]2CCC(NC(=O)NC(C)(C(=O)[O-])C(C)C)C2)=CC(OC)=C1	REAL300012651874	1	59	0.0	-75.82	435.89	6.84	-68.98
COC1=CC(C[N@@H+]2CCC(NC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651875	1	55	0.0	-88.05	424.23	9.09	-78.96
COC1=CC(C[N@H+]2CCC(NC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C2)=CC(OC)=C1	REAL300012651875	1	55	0.0	-86.68	423.29	9.06	-77.62
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651876	1	59	0.0	-73.74	441.78	8.77	-64.97
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651876	1	59	0.0	-75.00	441.15	8.63	-66.37
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C2)=C1	REAL300012651877	1	54	0.0	-81.06	424.92	7.56	-73.50
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C2)=C1	REAL300012651877	1	54	0.0	-80.77	423.15	7.54	-73.23
COC1=CC(C[N@H+]2CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C2)=CC(OC)=C1	REAL300012651878	1	57	0.0	-77.18	446.99	5.20	-71.98
COC1=CC(C[N@@H+]2CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C2)=CC(OC)=C1	REAL300012651878	1	57	0.0	-77.23	446.94	5.17	-72.06
COC1=CC(C[N@@H+]2CCC(NC(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C2)=CC(OC)=C1	REAL300012651879	1	57	0.0	-80.27	431.46	7.19	-73.08
COC1=CC(C[N@H+]2CCC(NC(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)C2)=CC(OC)=C1	REAL300012651879	1	57	0.0	-84.05	440.27	7.70	-76.35
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651880	1	59	0.0	-73.06	450.00	8.86	-64.20
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1	REAL300012651880	1	59	0.0	-75.08	449.32	8.83	-66.25
CCOCC(NC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651881	1	57	0.0	-77.39	448.73	5.02	-72.37
CCOCC(NC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300012651881	1	57	0.0	-79.37	451.13	5.20	-74.17
COC1=CC(C[N@@H+]2CCC(NC(=O)NC(CCC#N)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651882	1	54	0.0	-79.22	438.04	6.54	-72.68
COC1=CC(C[N@H+]2CCC(NC(=O)NC(CCC#N)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651882	1	54	0.0	-78.46	435.62	6.36	-72.10
COC1=CC(C[N@@H+]2CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651883	1	53	0.0	-73.71	408.43	7.05	-66.66
COC1=CC(C[N@H+]2CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])C2)=CC(OC)=C1	REAL300012651883	1	53	0.0	-73.29	409.21	7.05	-66.24
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC(C3CC3)=CS2)CC1	REAL300012652787	0	53	0.0	-66.77	426.82	6.62	-60.15
CC(C)C1=CSC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012653074	0	55	0.0	-62.07	437.19	6.41	-55.66
CC(C)C[C@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653200	0	53	0.0	-72.94	421.33	5.26	-67.68
C=CCOCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653201	0	52	0.0	-74.02	429.23	3.76	-70.26
C=CC(C)C(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653202	0	51	0.0	-74.82	414.16	5.11	-69.71
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)=CC=N1	REAL300012653203	0	55	0.0	-79.62	427.11	3.76	-75.86
COC1CCN(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C(C(=O)[O-])C1	REAL300012653204	0	55	0.0	-83.55	424.65	5.88	-77.67
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)=CC=N1	REAL300012653205	0	55	0.0	-74.91	427.10	3.78	-71.13
CC1CCN(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C(C(=O)[O-])C1	REAL300012653206	0	54	0.0	-85.16	406.80	7.56	-77.60
CCCN(CC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653207	0	50	0.0	-58.43	402.05	6.54	-51.89
CC(C(=O)[O-])N(C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C1CCC1	REAL300012653208	0	54	0.0	-55.44	410.95	7.56	-47.88
CCCN(C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(COC)C(=O)[O-]	REAL300012653209	0	57	0.0	-81.01	444.91	7.46	-73.55
CCCN(C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(CC)C(=O)[O-]	REAL300012653210	0	56	0.0	-55.77	425.51	8.15	-47.62
CC(C)C(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653211	0	50	0.0	-75.55	394.06	4.38	-71.17
C[NH+](C)CCOC1=CC(CNC(=O)N2CCCCC2C(=O)[O-])=CC=N1	REAL300012653212	0	51	0.0	-84.78	392.67	7.20	-77.58
C[NH+](C)CCOC1=CC(CNC(=O)N2CCSCC2C(=O)[O-])=CC=N1	REAL300012653213	0	49	0.0	-82.71	392.54	7.00	-75.71
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=CC=N1	REAL300012653214	0	54	0.0	-80.76	412.13	6.19	-74.57
C[NH+](C)CCOC1=CC(CNC(=O)N2CCCC2C(=O)[O-])=CC=N1	REAL300012653215	0	48	0.0	-81.59	381.39	5.87	-75.72
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=CC=N1	REAL300012653216	0	51	0.0	-80.68	397.62	5.08	-75.60
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)=CC=N1	REAL300012653217	0	57	0.0	-81.74	417.80	6.84	-74.90
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC=N1	REAL300012653218	0	54	0.0	-78.26	441.06	6.98	-71.28
C[NH+](C)CCOC1=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=CC=N1	REAL300012653219	0	54	0.0	-65.32	439.55	8.79	-56.53
C[NH+](C)CCOC1=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=CC=N1	REAL300012653220	0	51	0.0	-77.04	418.53	6.11	-70.93
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=CC=N1	REAL300012653221	0	51	0.0	-77.29	418.76	6.03	-71.26
CCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653222	0	47	0.0	-72.61	382.62	3.96	-68.65
CC(C)C(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653223	0	50	0.0	-75.55	394.06	4.38	-71.17
CN(CC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653224	0	44	0.0	-74.70	358.74	4.80	-69.90
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=CC=N1	REAL300012653225	0	54	0.0	-78.26	441.06	6.98	-71.28
CC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653226	0	44	0.0	-64.21	360.79	2.94	-61.27
CCC(C)C(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653227	0	53	0.0	-73.66	417.60	5.17	-68.49
CN(CC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653228	0	44	0.0	-74.70	358.74	4.80	-69.90
C[NH+](C)CCOC1=CC(CNC(=O)N2CCCCC2C(=O)[O-])=CC=N1	REAL300012653229	0	51	0.0	-84.78	392.67	7.20	-77.58
CCCC(C)(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653230	0	53	0.0	-73.86	408.26	5.08	-68.78
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653231	0	50	0.0	-57.09	390.78	6.05	-51.04
C[NH+](C)CCOC1=CC(CNC(=O)N(CC(=O)[O-])C2CC2)=CC=N1	REAL300012653232	0	48	0.0	-72.69	385.49	6.16	-66.53
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653233	0	48	0.0	-58.21	393.37	6.34	-51.87
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653234	0	53	0.0	-57.77	416.46	6.85	-50.92
C[NH+](C)CCOC1=CC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=CC=N1	REAL300012653235	0	55	0.0	-85.13	430.32	9.02	-76.11
C[NH+](C)CCOC1=CC(CNC(=O)NC(C)(C)C(=O)[O-])=CC=N1	REAL300012653236	0	47	0.0	-61.80	373.37	3.34	-58.46
C[NH+](C)CCOC1=CC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)=CC=N1	REAL300012653237	0	51	0.0	-78.43	396.25	5.10	-73.33
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)=CC=N1	REAL300012653238	0	48	0.0	-72.40	410.13	5.19	-67.21
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=CC=N1	REAL300012653239	0	54	0.0	-80.76	412.13	6.19	-74.57
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653240	0	50	0.0	-57.09	390.78	6.05	-51.04
CCCN(CC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653241	0	50	0.0	-58.43	402.05	6.54	-51.89
CCN(CC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653242	0	47	0.0	-75.08	380.55	5.79	-69.29
CC[C@H](C)[C@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653243	0	53	0.0	-73.01	413.13	4.97	-68.04
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=CC=N1	REAL300012653244	0	51	0.0	-80.68	397.62	5.08	-75.60
CCC(C)(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653245	0	50	0.0	-73.63	386.76	4.33	-69.30
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=CC=N1	REAL300012653246	0	55	0.0	-79.95	436.74	7.21	-72.74
C[NH+](C)CCOC1=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=N1	REAL300012653247	0	54	0.0	-78.19	426.59	6.81	-71.38
C[C@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653248	0	44	0.0	-64.82	360.79	2.95	-61.87
CCN(CC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653249	0	47	0.0	-75.08	380.55	5.79	-69.29
CCCCCCC(C)(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653250	0	62	0.0	-74.07	472.75	7.42	-66.65
C[C@@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653251	0	44	0.0	-64.15	360.79	2.95	-61.20
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CC2)=CC=N1	REAL300012653252	0	45	0.0	-79.78	366.95	4.16	-75.62
C[NH+](C)CCOC1=CC(CNC(=O)N2CCOCC2C(=O)[O-])=CC=N1	REAL300012653253	0	49	0.0	-81.75	383.51	4.43	-77.32
CN(C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C1(C(=O)[O-])CCCCC1	REAL300012653254	0	57	0.0	-78.63	421.32	7.54	-71.09
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2CC2)=CC=N1	REAL300012653255	0	48	0.0	-77.20	389.00	4.46	-72.74
CN(C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012653256	0	54	0.0	-71.71	429.91	7.91	-63.80
COCCN(CC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653257	0	51	0.0	-58.97	411.93	4.96	-54.01
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)=CC=N1	REAL300012653258	0	55	0.0	-80.59	433.48	7.09	-73.50
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])=CC=N1	REAL300012653259	0	48	0.0	-82.79	382.15	5.57	-77.22
C[NH+](C)CCOC1=CC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=N1	REAL300012653260	0	51	0.0	-85.48	392.48	7.05	-78.43
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653261	0	47	0.0	-70.93	372.59	4.88	-66.05
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC[C@H]2C(=O)[O-])=CC=N1	REAL300012653262	0	48	0.0	-79.44	381.37	5.88	-73.56
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCC2)=CC=N1	REAL300012653263	0	48	0.0	-78.76	383.85	4.67	-74.09
C=CCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653264	0	48	0.0	-72.12	395.93	4.41	-67.71
C[NH+](C)CCOC1=CC(CNC(=O)N2CCCC2(C)C(=O)[O-])=CC=N1	REAL300012653265	0	51	0.0	-81.86	398.45	6.44	-75.42
C[NH+](C)CCOC1=CC(CNC(=O)N2CCCCCC2C(=O)[O-])=CC=N1	REAL300012653266	0	54	0.0	-83.41	405.48	7.53	-75.88
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2CC2)=CC=N1	REAL300012653267	0	48	0.0	-77.20	389.00	4.46	-72.74
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653268	0	47	0.0	-67.75	372.71	5.03	-62.72
CCCCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653269	0	53	0.0	-72.53	425.62	5.50	-67.03
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=N1	REAL300012653270	0	51	0.0	-81.87	398.45	6.44	-75.43
C[NH+](C)CCOC1=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=CC=N1	REAL300012653271	0	54	0.0	-64.64	416.89	7.35	-57.29
COCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653272	0	48	0.0	-74.11	394.48	2.20	-71.91
CCCCCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653273	0	56	0.0	-71.92	446.29	6.30	-65.62
CCC1CCC(NC(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)(C(=O)[O-])CC1	REAL300012653274	0	60	0.0	-76.94	451.20	7.42	-69.52
C[NH+](C)CCOC1=CC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)=CC=N1	REAL300012653275	0	55	0.0	-58.33	425.35	5.68	-52.65
CN(C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C1(C(=O)[O-])CCCC1	REAL300012653276	0	54	0.0	-82.52	408.05	6.78	-75.74
CC(C(=O)[O-])N(C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C1CC1	REAL300012653277	0	51	0.0	-59.81	398.99	6.36	-53.45
CCC(C(=O)[O-])N(C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C1CC1	REAL300012653278	0	54	0.0	-63.19	419.45	7.44	-55.75
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)=CC=N1	REAL300012653279	0	51	0.0	-80.39	423.19	6.12	-74.27
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=CC=N1	REAL300012653280	0	55	0.0	-63.88	433.62	8.49	-55.39
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])=CC=N1	REAL300012653281	0	60	0.0	-73.22	462.90	7.19	-66.03
CC1=CC=C(C(NC(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300012653282	0	54	0.0	-77.45	440.21	6.70	-70.75
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])=CC=N1	REAL300012653283	0	47	0.0	-67.03	397.72	4.68	-62.35
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCSCC2)=CC=N1	REAL300012653284	0	52	0.0	-73.35	409.84	5.86	-67.49
COCC(C)(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653285	0	51	0.0	-77.85	405.01	3.61	-74.24
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653286	0	54	0.0	-68.84	425.25	5.45	-63.39
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653287	0	53	0.0	-57.77	416.46	6.85	-50.92
C[NH+](C)CCOC1=CC(CNC(=O)N(CC(=O)[O-])C2CC2)=CC=N1	REAL300012653288	0	48	0.0	-72.69	385.49	6.16	-66.53
C[NH+](C)CCOC1=CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=N1	REAL300012653289	0	50	0.0	-57.68	420.19	6.93	-50.75
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCOC2)=CC=N1	REAL300012653290	0	49	0.0	-73.54	388.27	2.47	-71.07
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)=CC=N1	REAL300012653291	0	57	0.0	-74.45	435.71	6.24	-68.21
CN(C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(COC1CCC1)C(=O)[O-]	REAL300012653292	0	58	0.0	-73.12	451.81	6.75	-66.37
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCOCC2)=CC=N1	REAL300012653293	0	52	0.0	-76.13	403.57	3.69	-72.44
C=CCCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653294	0	51	0.0	-72.27	416.94	5.28	-66.99
C[NH+](C)CCOC1=CC(CNC(=O)NC(CF)C(=O)[O-])=CC=N1	REAL300012653295	0	44	0.0	-60.97	364.24	2.99	-57.98
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653296	0	47	0.0	-67.75	372.71	5.03	-62.72
CCC(CC)(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653297	0	53	0.0	-74.68	403.43	5.24	-69.44
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653298	0	53	0.0	-56.70	413.52	7.30	-49.40
CCC(COC)(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653299	0	54	0.0	-79.10	421.68	4.52	-74.58
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653300	0	57	0.0	-69.48	445.01	6.09	-63.39
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=CC=N1	REAL300012653301	0	51	0.0	-72.03	413.98	5.57	-66.46
COCCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653302	0	51	0.0	-71.94	415.47	3.03	-68.91
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653303	0	56	0.0	-69.68	431.86	7.40	-62.28
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC(F)F)C(=O)[O-])=CC=N1	REAL300012653304	0	47	0.0	-67.59	392.41	4.49	-63.10
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653305	0	57	0.0	-81.71	432.98	8.25	-73.46
CCCN(C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(C)C(=O)[O-]	REAL300012653306	0	53	0.0	-71.87	412.29	6.61	-65.26
C[NH+](C)CCOC1=CC(CNC(=O)NC(CCF)C(=O)[O-])=CC=N1	REAL300012653307	0	47	0.0	-70.78	389.21	4.11	-66.67
COC1(CC(NC(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C(=O)[O-])CCC1	REAL300012653308	0	58	0.0	-74.93	454.37	5.06	-69.87
C[NH+](C)CCOC1=CC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)=CC=N1	REAL300012653309	0	55	0.0	-58.33	425.35	5.68	-52.65
C[NH+](C)CCOC1=CC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)=CC=N1	REAL300012653310	0	57	0.0	-63.81	434.28	8.07	-55.74
C[C@H]1CC[C@@](NC(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)(C(=O)[O-])CC1	REAL300012653311	0	57	0.0	-80.35	425.94	6.57	-73.78
C[NH+](C)CCOC1=CC(CNC(=O)NC(C)(CCF)C(=O)[O-])=CC=N1	REAL300012653312	0	50	0.0	-70.31	393.35	4.49	-65.82
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=CC=N1	REAL300012653313	0	52	0.0	-67.31	416.06	6.66	-60.65
C[NH+](C)CCOC1=CC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])=CC=N1	REAL300012653314	0	48	0.0	-75.56	396.48	5.62	-69.94
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653315	0	47	0.0	-67.58	373.95	5.09	-62.49
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=CC=N1	REAL300012653316	0	60	0.0	-82.50	440.00	7.06	-75.44
C[NH+](C)CCOC1=CC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)=CC=N1	REAL300012653317	0	49	0.0	-85.94	388.69	6.51	-79.43
COC1CN(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C(C)(C(=O)[O-])C1	REAL300012653318	0	55	0.0	-78.69	431.77	5.41	-73.28
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])=CC=N1	REAL300012653319	0	58	0.0	-75.97	454.01	4.79	-71.18
C[NH+](C)CCOC1=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=N1	REAL300012653320	0	53	0.0	-73.84	413.41	5.07	-68.77
C=C(Cl)CC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653321	0	48	0.0	-72.74	411.06	5.03	-67.71
C=C(C)CC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653322	0	51	0.0	-72.50	416.50	5.17	-67.33
C[NH+](C)CCOC1=CC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)=CC=N1	REAL300012653323	0	52	0.0	-89.15	403.31	7.31	-81.84
C[NH+](C)CCOC1=CC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=CC=N1	REAL300012653324	0	48	0.0	-72.50	394.35	6.04	-66.46
C[NH+](C)CCOC1=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=N1	REAL300012653325	0	48	0.0	-76.27	387.87	5.98	-70.29
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C1	REAL300012653326	0	49	0.0	-79.68	395.56	5.95	-73.73
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])=CC=N1	REAL300012653327	0	58	0.0	-73.79	454.08	4.78	-69.01
CC(C)C[C@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653328	0	53	0.0	-72.94	421.33	5.26	-67.68
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)=CC=N1	REAL300012653329	0	55	0.0	-79.62	427.11	3.76	-75.86
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=CC=N1	REAL300012653330	0	51	0.0	-77.29	418.76	6.03	-71.26
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=CC=N1	REAL300012653331	0	51	0.0	-72.03	413.98	5.57	-66.46
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])=CC=N1	REAL300012653332	0	50	0.0	-76.71	427.79	4.10	-72.61
CC(C)CCCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653333	0	59	0.0	-72.35	464.68	6.81	-65.54
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])=CC=N1	REAL300012653334	0	55	0.0	-77.57	438.82	4.34	-73.23
CSCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653335	0	48	0.0	-70.06	405.42	4.40	-65.66
COC[C@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653336	0	48	0.0	-73.79	394.34	2.26	-71.53
CC[C@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653337	0	47	0.0	-72.63	382.62	3.97	-68.66
CCC(C)CC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653338	0	56	0.0	-72.93	439.56	5.91	-67.02
C=CCCCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653339	0	54	0.0	-71.57	437.59	6.10	-65.47
C[NH+](C)CCOC1=CC(CNC(=O)N2CCSCC2C(=O)[O-])=CC=N1	REAL300012653340	0	49	0.0	-82.71	392.54	7.00	-75.71
C[NH+](C)CCOC1=CC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=N1	REAL300012653341	0	54	0.0	-78.19	426.59	6.81	-71.38
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])=CC=N1	REAL300012653342	0	48	0.0	-82.79	382.15	5.57	-77.22
CCCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653343	0	50	0.0	-72.04	403.29	4.73	-67.31
CC(C)[C@@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653344	0	50	0.0	-75.23	397.74	4.58	-70.65
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=CC=N1	REAL300012653345	0	52	0.0	-86.67	402.93	7.47	-79.20
CCN(C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(C)(C)C(=O)[O-]	REAL300012653346	0	53	0.0	-80.19	407.33	6.72	-73.47
CCCN(C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(C)C(=O)[O-]	REAL300012653347	0	53	0.0	-71.87	412.29	6.61	-65.26
C[NH+](C)CCOC1=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=CC=N1	REAL300012653348	0	47	0.0	-69.69	395.15	6.29	-63.40
C[NH+](C)CCOC1=CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)=CC=N1	REAL300012653349	0	47	0.0	-69.69	395.15	6.29	-63.40
CN(C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(C)(C)C(=O)[O-]	REAL300012653350	0	50	0.0	-79.96	387.82	5.86	-74.10
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC[C@H]2C(=O)[O-])=CC=N1	REAL300012653351	0	48	0.0	-79.44	381.37	5.88	-73.56
C[NH+](C)CCOC1=CC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=CC=N1	REAL300012653352	0	49	0.0	-81.42	394.79	2.06	-79.36
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653353	0	55	0.0	-58.10	437.16	8.80	-49.30
CCC[C@@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653354	0	50	0.0	-75.31	403.87	4.79	-70.52
C[NH+](C)CCOC1=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=CC=N1	REAL300012653355	0	51	0.0	-77.04	418.53	6.11	-70.93
C=CCCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653356	0	51	0.0	-72.27	416.94	5.28	-66.99
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])=CC=N1	REAL300012653357	0	50	0.0	-75.58	427.57	3.99	-71.59
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)CC1=O	REAL300012653358	0	52	0.0	-75.32	409.42	5.15	-70.17
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=N1	REAL300012653359	0	51	0.0	-78.99	398.48	6.42	-72.57
CC(C)[C@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653360	0	50	0.0	-75.96	395.32	4.28	-71.68
C[NH+](C)CCOC1=CC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=CC=N1	REAL300012653361	0	51	0.0	-74.33	418.15	6.06	-68.27
C[NH+](C)CCOC1=CC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])=CC=N1	REAL300012653362	0	54	0.0	-79.52	428.23	5.39	-74.13
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653363	0	47	0.0	-67.58	373.95	5.09	-62.49
CCC[C@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653364	0	50	0.0	-74.91	403.28	4.74	-70.17
CCN(C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(C)C(=O)[O-]	REAL300012653365	0	50	0.0	-68.72	391.40	5.91	-62.81
C[NH+](C)CCOC1=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=CC=N1	REAL300012653366	0	54	0.0	-64.64	416.89	7.35	-57.29
CC(CN(C)C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653367	0	50	0.0	-73.36	393.85	5.47	-67.89
CC[C@H](C)[C@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653368	0	53	0.0	-73.01	413.13	4.97	-68.04
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653369	0	50	0.0	-68.51	393.03	5.96	-62.55
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)=CC=N1	REAL300012653370	0	52	0.0	-78.87	416.01	1.96	-76.91
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653371	0	60	0.0	-75.36	466.07	5.21	-70.15
CC1CCC(NC(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)(C(=O)[O-])C1	REAL300012653372	0	54	0.0	-80.98	418.69	5.70	-75.28
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)=CC=N1	REAL300012653373	0	57	0.0	-82.24	426.56	6.31	-75.93
COCCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653374	0	51	0.0	-71.94	415.47	3.03	-68.91
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC=N1	REAL300012653375	0	54	0.0	-78.84	420.18	6.39	-72.45
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)=CC=N1	REAL300012653376	0	51	0.0	-78.43	406.22	5.32	-73.11
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653377	0	60	0.0	-78.55	467.17	5.20	-73.35
C[NH+](C)CCOC1=CC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=CC=N1	REAL300012653378	0	49	0.0	-89.49	393.34	2.35	-87.14
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2CCOC2)=CC=N1	REAL300012653379	0	52	0.0	-71.16	414.85	3.00	-68.16
C[NH+](C)CCOC1=CC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=CC=N1	REAL300012653380	0	52	0.0	-85.77	403.23	7.00	-78.77
C[NH+](C)CCOC1=CC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)=CC=N1	REAL300012653381	0	50	0.0	-82.16	395.61	4.77	-77.39
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C1	REAL300012653382	0	54	0.0	-84.30	413.63	7.74	-76.56
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])=CC=N1	REAL300012653383	0	58	0.0	-76.12	450.87	7.76	-68.36
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2CCC2)=CC=N1	REAL300012653384	0	51	0.0	-74.00	403.28	4.86	-69.14
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)=CC=N1	REAL300012653385	0	57	0.0	-74.45	435.71	6.24	-68.21
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2CCC2)=CC=N1	REAL300012653386	0	51	0.0	-74.00	403.28	4.86	-69.14
CC1CCN(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C1C(=O)[O-]	REAL300012653387	0	51	0.0	-80.90	402.74	6.18	-74.72
C=CCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653388	0	48	0.0	-72.12	395.93	4.41	-67.71
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])=CC=N1	REAL300012653389	0	58	0.0	-76.06	454.62	5.76	-70.30
C[NH+](C)CCOC1=CC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)=CC=N1	REAL300012653390	0	58	0.0	-61.49	428.40	7.68	-53.81
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)=CC=N1	REAL300012653391	0	58	0.0	-80.61	432.65	4.98	-75.63
C[NH+](C)CCOC1=CC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=CC=N1	REAL300012653392	0	52	0.0	-63.71	404.78	6.88	-56.83
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])=CC=N1	REAL300012653393	0	58	0.0	-76.12	450.87	7.76	-68.36
COC1CC(NC(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)(C(=O)[O-])C1	REAL300012653394	0	52	0.0	-83.46	417.22	3.64	-79.82
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)=CC=N1	REAL300012653395	0	48	0.0	-76.17	392.18	4.70	-71.47
CO[C@H]1C[C@](NC(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)(C(=O)[O-])C1	REAL300012653396	0	52	0.0	-78.85	415.71	3.94	-74.91
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653397	0	54	0.0	-84.07	414.21	7.59	-76.48
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])=CC=N1	REAL300012653398	0	47	0.0	-67.03	397.72	4.68	-62.35
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])=CC=N1	REAL300012653399	0	55	0.0	-78.24	436.43	3.97	-74.27
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])COC2)=CC=N1	REAL300012653400	0	46	0.0	-72.08	374.57	1.72	-70.36
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])=CC=N1	REAL300012653401	0	51	0.0	-76.39	432.10	6.05	-70.34
CC(C)C(C)(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653402	0	53	0.0	-77.68	403.49	5.03	-72.65
C[NH+](C)CCOC1=CC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=N1	REAL300012653403	0	49	0.0	-84.49	388.61	7.07	-77.42
C[NH+](C)CCOC1=CC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=CC=N1	REAL300012653404	0	52	0.0	-84.72	404.85	6.65	-78.07
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])=CC=N1	REAL300012653405	0	60	0.0	-73.22	462.90	7.19	-66.03
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)=CC=N1	REAL300012653406	0	58	0.0	-75.24	444.92	6.62	-68.62
C[NH+](C)CCOC1=CC(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=CC=N1	REAL300012653407	0	60	0.0	-76.60	462.73	7.24	-69.36
C[NH+](C)CCOC1=CC(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=CC=N1	REAL300012653408	0	60	0.0	-72.91	462.65	7.25	-65.66
C[NH+](C)CCOC1=CC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])=CC=N1	REAL300012653409	0	58	0.0	-62.61	443.15	7.86	-54.75
C[NH+](C)CCOC1=CC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])=CC=N1	REAL300012653410	0	58	0.0	-85.05	438.93	7.63	-77.42
C=CCSCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653411	0	52	0.0	-70.81	440.37	5.82	-64.99
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653412	0	53	0.0	-69.61	407.21	6.82	-62.79
COC1(C(NC(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C(=O)[O-])CCC1	REAL300012653413	0	55	0.0	-72.98	430.22	3.63	-69.35
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)=CC=N1	REAL300012653414	0	51	0.0	-80.90	415.57	5.50	-75.40
C[NH+](C)CCOC1=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=CC=N1	REAL300012653416	0	48	0.0	-76.27	387.87	5.98	-70.29
C[NH+](C)CCOC1=CC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])=CC=N1	REAL300012653417	0	50	0.0	-57.09	397.46	6.70	-50.39
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])=CC=N1	REAL300012653418	0	54	0.0	-82.96	413.70	6.83	-76.13
C[NH+](C)CCOC1=CC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])=CC=N1	REAL300012653419	0	58	0.0	-85.48	437.91	8.54	-76.94
CC(C)CCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653420	0	56	0.0	-72.10	442.35	6.03	-66.07
C[NH+](C)CCOC1=CC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])=CC=N1	REAL300012653421	0	55	0.0	-60.24	428.26	7.37	-52.87
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])=CC=N1	REAL300012653422	0	55	0.0	-78.24	436.43	3.97	-74.27
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C1	REAL300012653423	0	52	0.0	-79.28	425.62	6.85	-72.43
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)=CC=N1	REAL300012653424	0	55	0.0	-80.83	420.69	6.55	-74.28
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)=CC=N1	REAL300012653425	0	52	0.0	-81.67	405.12	5.90	-75.77
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)=CC=N1	REAL300012653426	0	55	0.0	-77.52	426.37	6.29	-71.23
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2CCCC2)=CC=N1	REAL300012653427	0	54	0.0	-73.31	418.95	5.52	-67.79
CO[C@H](C)[C@H](NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653428	0	51	0.0	-73.83	412.63	3.20	-70.63
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653429	0	51	0.0	-78.10	397.46	5.21	-72.89
C[NH+](C)CCOC1=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)=CC=N1	REAL300012653430	0	54	0.0	-65.32	439.55	8.79	-56.53
C[NH+](C)CCOC1=CC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])=CC=N1	REAL300012653431	0	54	0.0	-62.82	421.20	6.68	-56.14
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])=CC=N1	REAL300012653432	0	51	0.0	-80.14	403.56	6.98	-73.16
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])=CC=N1	REAL300012653433	0	48	0.0	-81.67	393.05	6.02	-75.65
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])=CC=N1	REAL300012653434	0	51	0.0	-75.88	431.64	5.97	-69.91
C[NH+](C)CCOC1=CC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])=CC=N1	REAL300012653435	0	51	0.0	-71.82	410.56	6.55	-65.27
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])=CC=N1	REAL300012653436	0	51	0.0	-75.88	431.64	5.97	-69.91
C[NH+](C)CCOC1=CC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=CC=N1	REAL300012653437	0	55	0.0	-81.65	420.12	6.97	-74.68
COCCCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653438	0	54	0.0	-71.87	436.96	3.81	-68.06
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653439	0	53	0.0	-68.71	414.55	6.73	-61.98
CCOCC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300012653440	0	51	0.0	-74.11	415.85	3.16	-70.95
C[NH+](C)CCOC1=CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])=CC=N1	REAL300012653441	0	56	0.0	-76.74	433.46	6.37	-70.37
C[NH+](C)CCOC1=CC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)=CC=N1	REAL300012653442	0	55	0.0	-78.80	433.87	4.52	-74.28
C[NH+](C)CCOC1=CC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=CC=N1	REAL300012653443	0	55	0.0	-79.95	436.74	7.21	-72.74
C[C@H]1OCCN(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)[C@@H]1C(=O)[O-]	REAL300012653444	0	52	0.0	-83.24	404.10	5.46	-77.78
C[NH+](C)CCOC1=CC(CNC(=O)NC(CCC#N)C(=O)[O-])=CC=N1	REAL300012653445	0	48	0.0	-72.60	402.64	4.47	-68.13
C[NH+](C)CCOC1=CC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)=CC=N1	REAL300012653446	0	51	0.0	-66.06	421.22	6.92	-59.14
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300012653447	0	47	0.0	-70.93	372.59	4.88	-66.05
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C1	REAL300012653448	0	55	0.0	-78.07	436.79	5.72	-72.35
CC(C)C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653449	0	58	0.0	-69.21	419.72	5.68	-63.53
C=CCOCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653450	0	57	0.0	-69.83	428.00	4.14	-65.69
C=CC(C)C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653451	0	56	0.0	-69.88	406.68	5.27	-64.61
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCOCC1	REAL300012653452	0	60	0.0	-67.83	428.98	4.37	-63.46
COC1CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C(C(=O)[O-])C1	REAL300012653453	0	60	0.0	-78.17	424.54	6.53	-71.64
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCCOC1	REAL300012653454	0	60	0.0	-68.76	426.35	4.17	-64.59
CC1CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C(C(=O)[O-])C1	REAL300012653455	0	59	0.0	-76.29	412.53	7.89	-68.40
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653456	0	55	0.0	-57.07	401.30	6.93	-50.14
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCC1	REAL300012653457	0	59	0.0	-60.24	413.56	7.22	-53.02
CCCN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(COC)C(=O)[O-]	REAL300012653458	0	62	0.0	-70.33	444.18	7.85	-62.48
CCCN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(CC)C(=O)[O-]	REAL300012653459	0	61	0.0	-50.66	425.57	8.54	-42.12
CC(C)C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653460	0	55	0.0	-69.80	393.99	4.68	-65.12
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653461	0	56	0.0	-77.30	392.15	7.55	-69.75
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653462	0	54	0.0	-74.26	391.44	7.28	-66.98
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCCCC1	REAL300012653463	0	59	0.0	-71.84	411.37	6.57	-65.27
O=C([O-])C1CCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653464	0	53	0.0	-74.29	381.54	5.87	-68.42
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCCC1	REAL300012653465	0	56	0.0	-71.74	396.85	5.47	-66.27
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCCCCC1	REAL300012653466	0	62	0.0	-72.36	417.02	7.24	-65.12
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653467	0	59	0.0	-70.38	440.04	7.44	-62.94
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653468	0	59	0.0	-57.16	438.81	9.18	-47.98
O=C([O-])[C@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=CC=C1	REAL300012653469	0	56	0.0	-70.38	417.79	6.52	-63.86
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=CC=C1	REAL300012653470	0	56	0.0	-70.73	418.05	6.43	-64.30
CCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653471	0	52	0.0	-68.01	381.04	4.38	-63.63
CC(C)C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653472	0	55	0.0	-69.80	393.99	4.68	-65.12
CN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653473	0	49	0.0	-68.77	357.97	5.20	-63.57
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653474	0	59	0.0	-70.38	440.04	7.44	-62.94
CC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653475	0	49	0.0	-61.56	360.05	3.33	-58.23
CCC(C)C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653476	0	58	0.0	-69.64	411.82	5.39	-64.25
CN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653477	0	49	0.0	-68.77	357.97	5.20	-63.57
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653478	0	56	0.0	-77.30	392.15	7.55	-69.75
CCCC(C)(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653479	0	58	0.0	-68.38	407.51	5.48	-62.90
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653480	0	55	0.0	-69.53	390.38	6.46	-63.07
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CC1	REAL300012653481	0	53	0.0	-69.64	384.64	6.59	-63.05
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653482	0	53	0.0	-56.84	392.62	6.74	-50.10
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653483	0	58	0.0	-56.96	415.96	7.45	-49.51
CC(C)(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653484	0	52	0.0	-60.30	372.62	3.73	-56.57
CC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)(C(=O)[O-])C1CC1	REAL300012653485	0	56	0.0	-69.09	393.88	5.08	-64.01
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=CS1	REAL300012653486	0	53	0.0	-67.84	409.03	5.55	-62.29
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCCCC1	REAL300012653487	0	59	0.0	-71.84	411.37	6.57	-65.27
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653488	0	55	0.0	-69.53	390.38	6.46	-63.07
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653489	0	55	0.0	-57.07	401.30	6.93	-50.14
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653490	0	52	0.0	-69.04	379.81	6.17	-62.87
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653491	0	58	0.0	-69.62	413.12	5.31	-64.31
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCCC1	REAL300012653492	0	56	0.0	-71.74	396.85	5.47	-66.27
CCC(C)(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653493	0	55	0.0	-68.18	386.01	4.72	-63.46
CC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012653494	0	59	0.0	-69.59	425.83	7.21	-62.38
C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653495	0	49	0.0	-61.18	359.88	3.36	-57.82
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653496	0	52	0.0	-69.04	379.81	6.17	-62.87
CCCCCCC(C)(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653497	0	67	0.0	-68.58	472.01	7.81	-60.77
C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653498	0	49	0.0	-61.64	360.02	3.33	-58.31
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC1	REAL300012653499	0	50	0.0	-73.16	366.18	4.55	-68.61
O=C([O-])C1COCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653500	0	54	0.0	-74.14	383.04	4.87	-69.27
CN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1(C(=O)[O-])CCCCC1	REAL300012653501	0	62	0.0	-73.47	420.64	7.88	-65.59
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CC1	REAL300012653502	0	53	0.0	-69.78	386.09	4.84	-64.94
CN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012653503	0	59	0.0	-74.01	428.55	7.97	-66.04
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653504	0	56	0.0	-58.05	411.18	5.36	-52.69
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653505	0	53	0.0	-75.26	381.31	5.47	-69.79
O=C([O-])[C@H]1CCCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653506	0	56	0.0	-75.89	390.07	6.93	-68.96
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653507	0	52	0.0	-65.84	372.37	5.33	-60.51
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653508	0	53	0.0	-75.70	381.38	5.47	-70.23
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCC1	REAL300012653509	0	53	0.0	-72.59	382.98	5.06	-67.53
C=CCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653510	0	53	0.0	-68.27	395.19	4.80	-63.47
CC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653511	0	56	0.0	-73.35	397.69	6.80	-66.55
O=C([O-])C1CCCCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653512	0	59	0.0	-75.03	404.71	7.90	-67.13
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CC1	REAL300012653513	0	53	0.0	-69.78	386.09	4.84	-64.94
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653514	0	52	0.0	-66.59	371.94	5.44	-61.15
CCCCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653515	0	58	0.0	-68.95	424.63	5.96	-62.99
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653516	0	56	0.0	-74.37	397.68	6.80	-67.57
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCCC1	REAL300012653517	0	59	0.0	-56.33	414.56	7.33	-49.00
COCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653518	0	53	0.0	-70.37	393.73	2.60	-67.77
CCCCCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653519	0	61	0.0	-69.36	446.37	6.69	-62.67
CCC1CCC(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)(C(=O)[O-])CC1	REAL300012653520	0	65	0.0	-71.67	450.42	7.82	-63.85
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCOCC1	REAL300012653521	0	60	0.0	-57.34	424.56	6.08	-51.26
CN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1(C(=O)[O-])CCCC1	REAL300012653522	0	59	0.0	-73.62	407.38	7.17	-66.45
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CC1	REAL300012653523	0	56	0.0	-59.21	398.47	6.91	-52.30
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CC1	REAL300012653524	0	59	0.0	-58.56	419.63	8.06	-50.50
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=CC=C1F	REAL300012653525	0	56	0.0	-75.55	422.45	6.51	-69.04
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653526	0	65	0.0	-69.79	461.94	7.61	-62.18
CC1=CC=C(C(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)C(=O)[O-])C=C1	REAL300012653527	0	59	0.0	-70.13	437.62	6.78	-63.35
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653528	0	52	0.0	-63.48	397.57	5.13	-58.35
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCSCC1	REAL300012653529	0	57	0.0	-68.10	409.06	6.26	-61.84
COCC(C)(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653530	0	56	0.0	-72.56	404.26	4.01	-68.55
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653531	0	59	0.0	-67.91	424.84	5.78	-62.13
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653532	0	58	0.0	-56.96	415.96	7.45	-49.51
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CC1	REAL300012653533	0	53	0.0	-69.64	384.64	6.59	-63.05
O=C([O-])CN(CCC(F)(F)F)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653534	0	55	0.0	-56.96	419.44	7.31	-49.65
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCOC1	REAL300012653535	0	54	0.0	-68.22	387.50	2.86	-65.36
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCCCC1	REAL300012653536	0	62	0.0	-71.56	435.61	6.56	-65.00
CN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012653537	0	63	0.0	-69.29	451.14	7.19	-62.10
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCOCC1	REAL300012653538	0	57	0.0	-71.19	402.79	4.09	-67.10
C=CCCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653539	0	56	0.0	-69.19	416.19	5.69	-63.50
O=C([O-])C(CF)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653540	0	49	0.0	-58.55	363.50	3.38	-55.17
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653541	0	52	0.0	-66.59	371.94	5.44	-61.15
CCC(CC)(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653542	0	58	0.0	-68.31	402.68	5.61	-62.70
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653543	0	58	0.0	-56.42	410.53	7.51	-48.91
CCC(COC)(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653544	0	59	0.0	-73.80	420.70	4.92	-68.88
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653545	0	62	0.0	-68.37	445.11	6.53	-61.84
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653546	0	56	0.0	-67.89	412.65	5.93	-61.96
COCCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653547	0	56	0.0	-69.82	415.55	3.42	-66.40
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653548	0	61	0.0	-66.37	430.67	7.75	-58.62
O=C([O-])C(CC(F)F)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653549	0	52	0.0	-68.43	393.98	4.70	-63.73
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653550	0	62	0.0	-74.67	432.93	8.45	-66.22
CCCN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(C)C(=O)[O-]	REAL300012653551	0	58	0.0	-60.40	411.30	7.02	-53.38
O=C([O-])C(CCF)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653552	0	52	0.0	-67.99	388.22	4.56	-63.43
COC1(CC(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)C(=O)[O-])CCC1	REAL300012653553	0	63	0.0	-70.77	453.51	5.49	-65.28
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCOCC1	REAL300012653554	0	60	0.0	-57.34	424.56	6.08	-51.26
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCCCC1	REAL300012653555	0	62	0.0	-56.73	431.95	8.04	-48.69
C[C@H]1CC[C@@](NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)(C(=O)[O-])CC1	REAL300012653556	0	62	0.0	-70.88	423.63	6.55	-64.33
CC(CCF)(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653557	0	55	0.0	-65.47	392.60	4.86	-60.61
O=C([O-])C1C2=C(CCN1C(=O)NC1CC[NH+](C3CCCCC3O)CC1)OC=C2	REAL300012653558	0	57	0.0	-62.64	414.71	6.92	-55.72
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653559	0	53	0.0	-68.87	394.41	5.65	-63.22
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653560	0	52	0.0	-66.70	371.81	5.37	-61.33
CC1(C)CCCC(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)(C(=O)[O-])C1	REAL300012653561	0	65	0.0	-72.73	439.30	7.44	-65.29
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653562	0	54	0.0	-79.00	388.21	6.89	-72.11
COC1CN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C(C)(C(=O)[O-])C1	REAL300012653563	0	60	0.0	-73.79	431.02	5.76	-68.03
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653564	0	63	0.0	-68.64	449.01	5.88	-62.76
CC(C)(C)[C@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653565	0	58	0.0	-69.28	411.04	5.49	-63.79
C=C(Cl)CC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653566	0	53	0.0	-69.14	411.14	5.40	-63.74
C=C(C)CC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653567	0	56	0.0	-68.72	415.73	5.54	-63.18
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653568	0	57	0.0	-80.83	402.53	7.69	-73.14
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653569	0	53	0.0	-68.77	392.89	5.63	-63.14
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653570	0	53	0.0	-73.30	387.98	5.97	-67.33
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300012653571	0	54	0.0	-73.75	393.33	5.93	-67.82
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653572	0	63	0.0	-70.16	453.34	5.17	-64.99
CC(C)C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653573	0	58	0.0	-69.21	419.72	5.68	-63.53
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCOCC1	REAL300012653574	0	60	0.0	-67.83	428.98	4.37	-63.46
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=CC=C1	REAL300012653575	0	56	0.0	-70.73	418.05	6.43	-64.30
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653576	0	56	0.0	-67.89	412.65	5.93	-61.96
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653577	0	55	0.0	-66.82	426.01	4.56	-62.26
CC(C)CCCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653578	0	64	0.0	-68.92	463.69	7.26	-61.66
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653579	0	60	0.0	-73.62	438.06	4.74	-68.88
CSCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653580	0	53	0.0	-66.30	405.34	4.77	-61.53
COC[C@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653581	0	53	0.0	-71.23	393.71	2.61	-68.62
CC[C@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653582	0	52	0.0	-68.91	381.02	4.38	-64.53
CCC(C)CC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653583	0	61	0.0	-69.28	438.56	6.37	-62.91
C=CCCCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653584	0	59	0.0	-69.41	437.69	6.47	-62.94
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653585	0	54	0.0	-74.26	391.44	7.28	-66.98
CC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012653586	0	59	0.0	-69.59	425.83	7.21	-62.38
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653587	0	53	0.0	-75.26	381.31	5.47	-69.79
CCCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653588	0	55	0.0	-68.97	403.13	5.18	-63.79
CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653589	0	55	0.0	-68.56	396.98	4.97	-63.59
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653590	0	57	0.0	-78.85	400.76	7.47	-71.38
CCN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(C)(C)C(=O)[O-]	REAL300012653591	0	58	0.0	-71.10	406.43	7.04	-64.06
CCCN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(C)C(=O)[O-]	REAL300012653592	0	58	0.0	-60.40	411.30	7.02	-53.38
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653593	0	52	0.0	-64.85	394.42	6.67	-58.18
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653594	0	52	0.0	-64.85	394.42	6.67	-58.18
CN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(C)(C)C(=O)[O-]	REAL300012653595	0	55	0.0	-71.20	386.61	6.32	-64.88
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653596	0	53	0.0	-75.70	381.38	5.47	-70.23
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653597	0	54	0.0	-75.99	391.24	2.17	-73.82
CCC[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653598	0	55	0.0	-68.65	401.79	4.71	-63.94
O=C([O-])[C@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=CC=C1	REAL300012653599	0	56	0.0	-70.38	417.79	6.52	-63.86
C=CCCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653600	0	56	0.0	-69.19	416.19	5.69	-63.50
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653601	0	55	0.0	-71.86	426.58	4.43	-67.43
CN1CC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC1=O	REAL300012653602	0	57	0.0	-67.81	407.88	5.31	-62.50
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653603	0	56	0.0	-74.55	397.74	6.79	-67.76
CC(C)[C@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653604	0	55	0.0	-70.07	398.89	4.94	-65.13
O=C([O-])[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=CC=C1	REAL300012653605	0	56	0.0	-70.94	417.98	6.43	-64.51
CC(CN1C=CC=N1)(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653606	0	59	0.0	-68.55	431.68	5.80	-62.75
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653607	0	52	0.0	-66.70	371.81	5.37	-61.33
CCC[C@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653608	0	55	0.0	-69.58	403.35	5.12	-64.46
CCN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(C)C(=O)[O-]	REAL300012653609	0	55	0.0	-66.30	389.07	6.10	-60.20
O=C([O-])CN(C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCCC1	REAL300012653610	0	59	0.0	-56.33	414.56	7.33	-49.00
CC(CN(C)C(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653611	0	55	0.0	-73.55	394.13	6.13	-67.42
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653612	0	58	0.0	-69.62	413.12	5.31	-64.31
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653613	0	55	0.0	-66.32	392.26	6.51	-59.81
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC(CO)C1	REAL300012653614	0	57	0.0	-72.78	415.27	2.33	-70.45
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653615	0	65	0.0	-71.63	463.76	5.26	-66.37
CC1CCC(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)(C(=O)[O-])C1	REAL300012653616	0	59	0.0	-72.27	417.95	6.08	-66.19
CC1(C)CCCC1(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653617	0	62	0.0	-72.35	427.42	6.81	-65.54
COCCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653618	0	56	0.0	-69.82	415.55	3.42	-66.40
CC1(C)CC(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)(C(=O)[O-])C1	REAL300012653619	0	59	0.0	-73.30	419.43	6.76	-66.54
CC1(C(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)C(=O)[O-])CC1	REAL300012653620	0	56	0.0	-71.00	403.33	5.70	-65.30
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653621	0	65	0.0	-70.87	465.75	5.64	-65.23
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653622	0	54	0.0	-80.42	391.27	2.75	-77.67
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCOC1	REAL300012653623	0	57	0.0	-68.18	409.05	3.36	-64.82
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653624	0	57	0.0	-78.14	402.33	7.40	-70.74
O=C([O-])C12COC(CN1C(=O)NC1CC[NH+](C3CCCCC3O)CC1)C2	REAL300012653625	0	55	0.0	-75.13	394.76	5.15	-69.98
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300012653626	0	59	0.0	-77.04	412.81	8.15	-68.89
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653627	0	63	0.0	-69.49	450.10	8.17	-61.32
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCC1	REAL300012653628	0	56	0.0	-70.43	402.01	5.24	-65.19
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCCCC1	REAL300012653629	0	62	0.0	-71.56	435.61	6.56	-65.00
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCC1	REAL300012653630	0	56	0.0	-70.43	402.01	5.24	-65.19
CC1CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1C(=O)[O-]	REAL300012653631	0	56	0.0	-75.37	396.79	6.44	-68.93
C=CCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653632	0	53	0.0	-68.27	395.19	4.80	-63.47
O=C([O-])C(CC1CCCCO1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653633	0	63	0.0	-69.25	454.11	6.09	-63.16
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653634	0	63	0.0	-50.64	426.72	7.73	-42.91
CC1(C)CC(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)(C(=O)[O-])CCO1	REAL300012653635	0	63	0.0	-72.01	431.89	5.36	-66.65
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653636	0	57	0.0	-53.10	401.71	6.89	-46.21
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653637	0	63	0.0	-69.49	450.10	8.17	-61.32
COC1CC(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)(C(=O)[O-])C1	REAL300012653638	0	57	0.0	-74.98	416.33	4.02	-70.96
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC(F)(F)C1	REAL300012653639	0	53	0.0	-70.85	391.41	5.10	-65.75
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)(C(=O)[O-])C1	REAL300012653640	0	57	0.0	-70.32	413.86	3.92	-66.40
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653641	0	59	0.0	-76.64	411.02	8.05	-68.59
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653642	0	52	0.0	-63.48	397.57	5.13	-58.35
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653643	0	60	0.0	-69.32	435.96	4.47	-64.85
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)COC1	REAL300012653644	0	51	0.0	-66.92	373.80	2.10	-64.82
O=C([O-])C(CC1=CC=CS1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653645	0	56	0.0	-69.73	432.18	6.42	-63.31
CC(C)C(C)(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653646	0	58	0.0	-68.78	400.94	5.35	-63.43
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653647	0	54	0.0	-76.94	387.91	7.39	-69.55
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653648	0	57	0.0	-75.34	402.83	6.66	-68.68
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653649	0	65	0.0	-69.79	461.94	7.61	-62.18
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CC2CCC1C2	REAL300012653650	0	63	0.0	-70.86	443.00	6.77	-64.09
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653651	0	65	0.0	-69.47	461.98	7.63	-61.84
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653652	0	65	0.0	-69.42	460.41	7.23	-62.19
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653653	0	63	0.0	-54.51	442.41	8.23	-46.28
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653654	0	63	0.0	-75.52	438.87	7.76	-67.76
C=CCSCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653655	0	57	0.0	-66.39	439.62	6.22	-60.17
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653656	0	58	0.0	-67.02	406.08	7.06	-59.96
COC1(C(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)C(=O)[O-])CCC1	REAL300012653657	0	60	0.0	-66.86	428.81	3.99	-62.87
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC(C(F)F)C1	REAL300012653658	0	56	0.0	-74.09	415.24	5.84	-68.25
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653660	0	53	0.0	-73.30	387.98	5.97	-67.33
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653661	0	55	0.0	-54.41	394.60	6.63	-47.78
CC1(C)CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1C(=O)[O-]	REAL300012653662	0	59	0.0	-76.48	416.77	6.91	-69.57
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653663	0	63	0.0	-75.60	434.16	8.49	-67.11
CC(C)CCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653664	0	61	0.0	-69.55	442.44	6.42	-63.13
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653665	0	60	0.0	-54.30	428.46	7.69	-46.61
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653666	0	60	0.0	-69.32	435.96	4.47	-64.85
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300012653667	0	57	0.0	-72.40	422.19	7.03	-65.37
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCCC2CC21	REAL300012653668	0	60	0.0	-74.36	417.17	7.21	-67.15
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCC2CC21	REAL300012653669	0	57	0.0	-72.77	404.37	6.29	-66.48
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC2(CCC2)C1	REAL300012653670	0	60	0.0	-70.48	424.20	6.29	-64.19
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCCC1	REAL300012653671	0	59	0.0	-69.94	423.64	6.07	-63.87
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653672	0	56	0.0	-70.39	411.37	3.61	-66.78
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653673	0	56	0.0	-71.07	394.78	5.21	-65.86
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653674	0	59	0.0	-57.16	438.81	9.18	-47.98
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300012653675	0	59	0.0	-54.23	420.43	7.07	-47.16
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653676	0	56	0.0	-74.00	402.73	7.37	-66.63
O=C([O-])C1N(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCC1(F)F	REAL300012653677	0	53	0.0	-77.73	393.33	6.00	-71.73
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653678	0	56	0.0	-68.39	430.29	6.31	-62.08
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653679	0	56	0.0	-68.07	409.80	6.93	-61.14
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653680	0	56	0.0	-68.39	430.29	6.31	-62.08
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653681	0	60	0.0	-76.79	419.50	7.42	-69.37
COCCCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653682	0	59	0.0	-68.29	436.81	4.25	-64.04
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653683	0	58	0.0	-65.52	412.76	6.77	-58.75
CCOCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653684	0	56	0.0	-70.19	415.10	3.57	-66.62
CC(C)(C)CC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653685	0	61	0.0	-69.39	432.91	6.75	-62.64
O=C([O-])C(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CCCCO1	REAL300012653686	0	60	0.0	-71.57	430.61	4.51	-67.06
C[C@H]1OCCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)[C@@H]1C(=O)[O-]	REAL300012653687	0	57	0.0	-73.42	401.26	5.16	-68.26
N#CCCC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300012653688	0	53	0.0	-70.59	402.49	4.92	-65.67
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653689	0	56	0.0	-57.99	420.47	7.32	-50.67
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300012653690	0	52	0.0	-65.84	372.37	5.33	-60.51
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300012653691	0	60	0.0	-71.46	434.58	5.71	-65.75
C=CCCOCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012654176	0	54	0.0	-62.02	415.82	5.59	-56.43
CN(C)C1=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1	REAL300012654718	0	57	0.0	-64.48	439.95	7.17	-57.31
CC1=CC(N2CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655125	1	55	0.0	-71.07	425.36	6.97	-64.10
C=CCOCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655126	1	54	0.0	-72.49	433.28	5.42	-67.07
C=CC(C)C(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655127	1	53	0.0	-69.69	411.46	6.55	-63.14
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCOCC3)CC2)=NC(C)=[NH+]1	REAL300012655128	1	57	0.0	-70.61	434.74	5.71	-64.90
COC1CCN(C(=O)NC2CCN(C3=CC(C)=[NH+]C(C)=N3)CC2)C(C(=O)[O-])C1	REAL300012655129	1	57	0.0	-83.05	426.93	7.65	-75.40
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCCOC3)CC2)=NC(C)=[NH+]1	REAL300012655130	1	57	0.0	-68.68	431.14	5.46	-63.22
CC1=CC(N2CCC(NC(=O)N3CCC(C)CC3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655131	1	56	0.0	-83.30	417.75	9.45	-73.85
CCCN(CC(=O)[O-])C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1	REAL300012655132	1	52	0.0	-61.31	406.10	8.21	-53.10
CC1=CC(N2CCC(NC(=O)N(C(C)C(=O)[O-])C3CCC3)CC2)=NC(C)=[NH+]1	REAL300012655133	1	56	0.0	-59.38	419.08	8.61	-50.77
CCCN(C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(COC)C(=O)[O-]	REAL300012655134	1	59	0.0	-72.21	448.08	9.17	-63.04
CCCN(C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(CC)C(=O)[O-]	REAL300012655135	1	58	0.0	-70.62	434.87	9.82	-60.80
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C(C)C)CC2)=NC(C)=[NH+]1	REAL300012655136	1	52	0.0	-68.99	398.10	6.04	-62.95
CC1=CC(N2CCC(NC(=O)N3CCCCC3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655137	1	53	0.0	-83.15	396.83	8.83	-74.32
CC1=CC(N2CCC(NC(=O)N3CCSCC3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655138	1	51	0.0	-79.04	396.41	8.55	-70.49
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCCC3)CC2)=NC(C)=[NH+]1	REAL300012655139	1	56	0.0	-72.60	416.18	7.84	-64.76
CC1=CC(N2CCC(NC(=O)N3CCCC3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655140	1	50	0.0	-76.93	386.32	7.15	-69.78
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCC3)CC2)=NC(C)=[NH+]1	REAL300012655141	1	53	0.0	-74.44	401.68	6.74	-67.70
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCCCC3)CC2)=NC(C)=[NH+]1	REAL300012655142	1	59	0.0	-73.10	421.84	8.51	-64.59
CC1=CC(N2CCC(NC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655143	1	56	0.0	-72.26	445.10	8.65	-63.61
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)CC2)=NC(C)=[NH+]1	REAL300012655144	1	56	0.0	-61.89	443.59	10.46	-51.43
CC1=CC(N2CCC(NC(=O)NCC(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655145	1	43	0.0	-60.43	344.05	3.80	-56.63
CC1=CC(N2CCC(NC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)CC2)=NC(C)=[NH+]1	REAL300012655146	1	53	0.0	-71.30	422.84	7.71	-63.59
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3)CC2)=NC(C)=[NH+]1	REAL300012655147	1	53	0.0	-72.47	422.80	7.70	-64.77
CCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655148	1	49	0.0	-70.71	386.67	5.63	-65.08
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C(C)C)CC2)=NC(C)=[NH+]1	REAL300012655149	1	52	0.0	-68.99	398.10	6.04	-62.95
CC1=CC(N2CCC(NC(=O)N(C)CC(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655150	1	46	0.0	-69.81	362.78	6.47	-63.34
CC1=CC(N2CCC(NC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655151	1	56	0.0	-72.26	445.10	8.65	-63.61
CC1=CC(N2CCC(NC(=O)NC(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655152	1	46	0.0	-61.31	364.83	4.62	-56.69
CCC(C)C(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655153	1	55	0.0	-70.49	421.65	6.84	-63.65
CC1=CC(N2CCC(NC(=O)N(C)CC(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655154	1	46	0.0	-69.81	362.78	6.47	-63.34
CC1=CC(N2CCC(NC(=O)N3CCCCC3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655155	1	53	0.0	-83.15	396.83	8.83	-74.32
CCCC(C)(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655156	1	55	0.0	-69.34	412.30	6.76	-62.58
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])C(C)C)CC2)=NC(C)=[NH+]1	REAL300012655157	1	52	0.0	-61.34	396.43	7.88	-53.46
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])C3CC3)CC2)=NC(C)=[NH+]1	REAL300012655158	1	50	0.0	-72.08	385.71	7.73	-64.35
C=CCN(CC(=O)[O-])C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1	REAL300012655159	1	50	0.0	-61.10	397.41	8.02	-53.08
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])CC(C)C)CC2)=NC(C)=[NH+]1	REAL300012655160	1	55	0.0	-60.85	420.51	8.51	-52.34
CC1=CC(N2CCC(NC(=O)NC(C)(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655161	1	49	0.0	-59.61	377.41	5.01	-54.60
CC1=CC(N2CCC(NC(=O)NC(C)(C(=O)[O-])C3CC3)CC2)=NC(C)=[NH+]1	REAL300012655162	1	53	0.0	-70.61	400.31	6.76	-63.85
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CS3)CC2)=NC(C)=[NH+]1	REAL300012655163	1	50	0.0	-70.25	413.83	6.83	-63.42
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCCC3)CC2)=NC(C)=[NH+]1	REAL300012655164	1	56	0.0	-72.60	416.18	7.84	-64.76
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])C(C)C)CC2)=NC(C)=[NH+]1	REAL300012655165	1	52	0.0	-61.34	396.43	7.88	-53.46
CCCN(CC(=O)[O-])C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1	REAL300012655166	1	52	0.0	-61.31	406.10	8.21	-53.10
CCN(CC(=O)[O-])C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1	REAL300012655167	1	49	0.0	-68.59	384.60	7.45	-61.14
CC[C@H](C)[C@H](NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655168	1	55	0.0	-71.75	417.91	6.60	-65.15
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCC3)CC2)=NC(C)=[NH+]1	REAL300012655169	1	53	0.0	-74.44	401.68	6.74	-67.70
CCC(C)(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655170	1	52	0.0	-68.96	390.80	6.00	-62.96
CC1=CC(N2CCC(NC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)CC2)=NC(C)=[NH+]1	REAL300012655171	1	56	0.0	-72.86	430.62	8.49	-64.37
CC1=CC(N2CCC(NC(=O)N[C@@H](C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655172	1	46	0.0	-61.21	364.67	4.64	-56.57
CCN(CC(=O)[O-])C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1	REAL300012655173	1	49	0.0	-68.59	384.60	7.45	-61.14
CC1=CC(N2CCC(NC(=O)N[C@H](C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655174	1	46	0.0	-60.81	364.84	4.62	-56.19
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CC3)CC2)=NC(C)=[NH+]1	REAL300012655175	1	47	0.0	-74.28	370.98	5.81	-68.47
CC1=CC(N2CCC(NC(=O)N3CCOCC3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655176	1	51	0.0	-79.12	388.01	6.13	-72.99
CC1=CC(N2CCC(NC(=O)N(C)C3(C(=O)[O-])CCCCC3)CC2)=NC(C)=[NH+]1	REAL300012655177	1	59	0.0	-73.95	425.44	9.16	-64.79
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3CC3)CC2)=NC(C)=[NH+]1	REAL300012655178	1	50	0.0	-70.27	393.58	6.13	-64.14
CC1=CC(N2CCC(NC(=O)N(C)C(C(=O)[O-])C3=CC=CC=C3)CC2)=NC(C)=[NH+]1	REAL300012655179	1	56	0.0	-68.11	430.77	9.36	-58.75
COCCN(CC(=O)[O-])C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1	REAL300012655180	1	53	0.0	-62.32	415.97	6.64	-55.68
CC1=CC(N2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655181	1	50	0.0	-75.37	386.31	7.18	-68.19
CC1=CC(N2CCC(NC(=O)N3CCCC[C@@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655182	1	53	0.0	-77.61	396.59	8.55	-69.06
CC1=CC(N2CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655183	1	49	0.0	-65.09	377.69	6.71	-58.38
CC1=CC(N2CCC(NC(=O)N3CCC[C@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655184	1	50	0.0	-80.08	386.36	7.14	-72.94
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CCC3)CC2)=NC(C)=[NH+]1	REAL300012655185	1	50	0.0	-75.08	387.79	6.33	-68.75
C=CCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655186	1	50	0.0	-69.78	399.15	6.10	-63.68
CC1=CC(N2CCC(NC(=O)N3CCCC3(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655187	1	53	0.0	-76.44	402.50	8.08	-68.36
CC1=CC(N2CCC(NC(=O)N3CCCCCC3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655188	1	56	0.0	-77.43	409.72	9.07	-68.36
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3CC3)CC2)=NC(C)=[NH+]1	REAL300012655189	1	50	0.0	-70.27	393.58	6.13	-64.14
CC1=CC(N2CCC(NC(=O)N(C)C(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655190	1	49	0.0	-65.50	376.76	6.71	-58.79
CCCCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655191	1	55	0.0	-70.55	429.67	7.18	-63.37
CC1=CC(N2CCC(NC(=O)N3CCC[C@@]3(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655192	1	53	0.0	-76.35	402.51	8.08	-68.27
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])C3CCCC3)CC2)=NC(C)=[NH+]1	REAL300012655193	1	56	0.0	-60.51	420.94	9.02	-51.49
COCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655194	1	50	0.0	-72.18	398.04	3.87	-68.31
CCCCCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655195	1	58	0.0	-70.53	451.16	7.96	-62.57
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])C3CCOCC3)CC2)=NC(C)=[NH+]1	REAL300012655196	1	57	0.0	-59.46	429.45	7.35	-52.11
CC1=CC(N2CCC(NC(=O)N(C)C3(C(=O)[O-])CCCC3)CC2)=NC(C)=[NH+]1	REAL300012655197	1	56	0.0	-76.92	412.12	8.44	-68.48
CC1=CC(N2CCC(NC(=O)N(C(C)C(=O)[O-])C3CC3)CC2)=NC(C)=[NH+]1	REAL300012655198	1	53	0.0	-60.78	403.42	8.18	-52.60
CCC(C(=O)[O-])N(C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C1CC1	REAL300012655199	1	56	0.0	-60.00	423.76	9.14	-50.86
CC1=CC=C(C(NC(=O)NC2CCN(C3=CC(C)=[NH+]C(C)=N3)CC2)C(=O)[O-])C=C1	REAL300012655200	1	56	0.0	-72.30	444.00	8.47	-63.83
CC1=CC(N2CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655201	1	49	0.0	-64.62	401.76	6.37	-58.25
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CCSCC3)CC2)=NC(C)=[NH+]1	REAL300012655202	1	54	0.0	-70.32	413.89	7.53	-62.79
COCC(C)(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655203	1	53	0.0	-73.09	409.05	5.29	-67.80
CCOCC(C(=O)[O-])N(C)C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1	REAL300012655204	1	56	0.0	-68.31	429.66	7.05	-61.26
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])CC(C)C)CC2)=NC(C)=[NH+]1	REAL300012655205	1	55	0.0	-60.85	420.51	8.51	-52.34
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])C3CC3)CC2)=NC(C)=[NH+]1	REAL300012655206	1	50	0.0	-72.08	385.71	7.73	-64.35
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CCOC3)CC2)=NC(C)=[NH+]1	REAL300012655207	1	51	0.0	-70.09	392.31	4.13	-65.96
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCCCC3)CC2)=NC(C)=[NH+]1	REAL300012655208	1	59	0.0	-70.66	439.73	7.92	-62.74
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CCOCC3)CC2)=NC(C)=[NH+]1	REAL300012655209	1	54	0.0	-73.32	407.61	5.35	-67.97
C=CCCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655210	1	53	0.0	-69.77	420.15	6.98	-62.79
CC1=CC(N2CCC(NC(=O)NC(CF)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655211	1	46	0.0	-58.90	368.29	4.65	-54.25
CC1=CC(N2CCC(NC(=O)N(C)C(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655212	1	49	0.0	-65.50	376.76	6.71	-58.79
CCC(CC)(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655213	1	55	0.0	-70.10	407.19	6.89	-63.21
CCC(C)N(CC(=O)[O-])C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1	REAL300012655214	1	55	0.0	-60.97	415.32	8.79	-52.18
CCC(COC)(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655215	1	56	0.0	-76.10	425.72	6.19	-69.91
CC1=CC(N2CCC(NC(=O)N(C)C(COC(C)C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655216	1	59	0.0	-68.11	449.32	7.71	-60.40
CC1=CC(N2CCC(NC(=O)NC(CC3CC3)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655217	1	53	0.0	-70.64	418.28	7.18	-63.46
COCCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655218	1	53	0.0	-70.64	420.34	4.69	-65.95
CC1=CC(N2CCC(NC(=O)N(C)C(CC(C)C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655219	1	58	0.0	-65.98	434.90	9.13	-56.85
CC1=CC(N2CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655220	1	49	0.0	-69.40	399.01	5.92	-63.48
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1	REAL300012655221	1	59	0.0	-77.04	437.27	10.07	-66.97
CCCN(C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(C)C(=O)[O-]	REAL300012655222	1	55	0.0	-59.15	416.71	9.08	-50.07
CC1=CC(N2CCC(NC(=O)NC(CCF)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655223	1	49	0.0	-69.12	393.26	5.77	-63.35
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])C3CCOCC3)CC2)=NC(C)=[NH+]1	REAL300012655224	1	57	0.0	-59.46	429.45	7.35	-52.11
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])C3CCCCC3)CC2)=NC(C)=[NH+]1	REAL300012655225	1	59	0.0	-60.88	438.32	9.72	-51.16
CC1=CC(N2CCC(NC(=O)N[C@@]3(C(=O)[O-])CC[C@H](C)CC3)CC2)=NC(C)=[NH+]1	REAL300012655226	1	59	0.0	-74.68	429.99	8.23	-66.45
CC1=CC(N2CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655227	1	52	0.0	-65.85	397.39	6.14	-59.71
CC1=CC(N2CCC(NC(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655228	1	54	0.0	-64.02	420.26	8.33	-55.69
CC1=CC(N2CCC(NC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655229	1	50	0.0	-68.56	399.32	7.34	-61.22
CC1=CC(N2CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655230	1	49	0.0	-66.63	376.62	6.65	-59.98
CC1=CC(N2CCC(NC(=O)N3CC4CC3(C(=O)[O-])C4)CC2)=NC(C)=[NH+]1	REAL300012655231	1	51	0.0	-80.18	392.68	8.17	-72.01
COC1CN(C(=O)NC2CCN(C3=CC(C)=[NH+]C(C)=N3)CC2)C(C)(C(=O)[O-])C1	REAL300012655232	1	57	0.0	-78.00	435.83	7.04	-70.96
CC1=CC(N2CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC2)=NC(C)=[NH+]1	REAL300012655233	1	55	0.0	-71.27	416.79	6.82	-64.45
C=C(Cl)CC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655234	1	50	0.0	-70.69	415.94	6.69	-64.00
C=C(C)CC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655235	1	53	0.0	-70.77	420.52	6.82	-63.95
CC1=CC(N2CCC(NC(=O)N3C4CCC3(C(=O)[O-])CC4)CC2)=NC(C)=[NH+]1	REAL300012655236	1	54	0.0	-82.00	407.21	8.99	-73.01
CC1=CC(N2CCC(NC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655237	1	50	0.0	-70.35	400.72	7.30	-63.05
CC1=CC(N2CCC(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655238	1	50	0.0	-74.31	392.79	7.24	-67.07
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CCN(C3=CC(C)=[NH+]C(C)=N3)CC2)C1	REAL300012655239	1	51	0.0	-76.63	399.67	7.64	-68.99
CC1=CC(N2CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655240	1	55	0.0	-71.07	425.36	6.97	-64.10
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCOCC3)CC2)=NC(C)=[NH+]1	REAL300012655241	1	57	0.0	-70.61	434.74	5.71	-64.90
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3)CC2)=NC(C)=[NH+]1	REAL300012655242	1	53	0.0	-72.47	422.80	7.70	-64.77
CC1=CC(N2CCC(NC(=O)NC(CC3CC3)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655243	1	53	0.0	-70.64	418.28	7.18	-63.46
CC1=CC(N2CCC(NC(=O)NC(CCCC(C)C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655244	1	61	0.0	-70.56	468.73	8.47	-62.09
CC1=CC(N2CCC(NC(=O)NC(CC3CCCO3)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655245	1	57	0.0	-73.35	442.61	6.08	-67.27
CSCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655246	1	50	0.0	-67.86	409.46	6.08	-61.78
COC[C@H](NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655247	1	50	0.0	-72.46	398.53	3.87	-68.59
CC[C@H](NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655248	1	49	0.0	-70.23	385.84	5.66	-64.57
CCC(C)CC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655249	1	58	0.0	-71.41	443.60	7.62	-63.79
C=CCCCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655250	1	56	0.0	-70.22	442.48	7.74	-62.48
CC1=CC(N2CCC(NC(=O)N3CCSCC3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655251	1	51	0.0	-79.04	396.41	8.55	-70.49
CC1=CC(N2CCC(NC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)CC2)=NC(C)=[NH+]1	REAL300012655252	1	56	0.0	-72.86	430.62	8.49	-64.37
CC1=CC(N2CCC(NC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655253	1	50	0.0	-75.37	386.31	7.18	-68.19
CCCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655254	1	52	0.0	-70.65	408.17	6.40	-64.25
CC1=CC(N2CCC(NC(=O)N[C@@H](C(=O)[O-])C(C)C)CC2)=NC(C)=[NH+]1	REAL300012655255	1	52	0.0	-68.99	398.10	6.04	-62.95
CC1=CC(N2CCC(NC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655256	1	54	0.0	-81.16	407.36	9.12	-72.04
CCN(C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(C)(C)C(=O)[O-]	REAL300012655257	1	55	0.0	-71.97	411.39	8.42	-63.55
CCCN(C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(C)C(=O)[O-]	REAL300012655258	1	55	0.0	-59.15	416.71	9.08	-50.07
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC2)=NC(C)=[NH+]1	REAL300012655259	1	49	0.0	-64.39	399.21	7.95	-56.44
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC2)=NC(C)=[NH+]1	REAL300012655260	1	49	0.0	-64.39	399.21	7.95	-56.44
CC1=CC(N2CCC(NC(=O)N(C)C(C)(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655261	1	52	0.0	-74.30	391.83	7.54	-66.76
CC1=CC(N2CCC(NC(=O)N3CCC[C@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655262	1	50	0.0	-80.08	386.36	7.14	-72.94
CC1=CC(N2CCC(NC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655263	1	51	0.0	-76.66	397.41	3.85	-72.81
CCC[C@@H](NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655264	1	52	0.0	-69.30	408.17	6.41	-62.89
CC1=CC(N2CCC(NC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)CC2)=NC(C)=[NH+]1	REAL300012655265	1	53	0.0	-71.30	422.84	7.71	-63.59
C=CCCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655266	1	53	0.0	-69.77	420.15	6.98	-62.79
CC1=CC(N2CCC(NC(=O)N3CC(=O)N(C)CC3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655267	1	54	0.0	-70.38	413.69	6.79	-63.59
CC1=CC(N2CCC(NC(=O)N3CCC[C@]3(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655268	1	53	0.0	-74.70	402.51	8.09	-66.61
CC1=CC(N2CCC(NC(=O)N[C@H](C(=O)[O-])C(C)C)CC2)=NC(C)=[NH+]1	REAL300012655269	1	52	0.0	-70.07	397.79	5.95	-64.12
CC1=CC(N2CCC(NC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)CC2)=NC(C)=[NH+]1	REAL300012655270	1	53	0.0	-72.48	422.80	7.71	-64.77
CC1=CC(N2CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655271	1	49	0.0	-66.63	376.62	6.65	-59.98
CCC[C@H](NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655272	1	52	0.0	-70.21	407.35	6.43	-63.78
CCN(C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(C)C(=O)[O-]	REAL300012655273	1	52	0.0	-69.95	397.44	8.16	-61.79
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])C3CCCC3)CC2)=NC(C)=[NH+]1	REAL300012655274	1	56	0.0	-60.51	420.94	9.02	-51.49
CC1=CC(N2CCC(NC(=O)N(C)CC(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655275	1	52	0.0	-68.37	397.89	7.13	-61.24
CC[C@H](C)[C@H](NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655276	1	55	0.0	-71.75	417.91	6.60	-65.15
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1	REAL300012655277	1	52	0.0	-67.45	397.09	7.63	-59.82
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CC(CO)C3)CC2)=NC(C)=[NH+]1	REAL300012655278	1	54	0.0	-79.74	418.33	3.52	-76.22
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CCC(C)C3)CC2)=NC(C)=[NH+]1	REAL300012655279	1	56	0.0	-72.90	422.74	7.36	-65.54
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCC3(C)C)CC2)=NC(C)=[NH+]1	REAL300012655280	1	59	0.0	-73.17	432.20	8.11	-65.06
COCCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655281	1	53	0.0	-70.64	420.34	4.69	-65.95
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CC(C)(C)C3)CC2)=NC(C)=[NH+]1	REAL300012655282	1	56	0.0	-77.65	424.23	8.04	-69.61
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3(C)CC3)CC2)=NC(C)=[NH+]1	REAL300012655283	1	53	0.0	-71.62	410.27	7.00	-64.62
CC1=CC(N2CCC(NC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655284	1	51	0.0	-81.75	397.45	4.01	-77.74
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCOC3)CC2)=NC(C)=[NH+]1	REAL300012655285	1	54	0.0	-69.02	421.20	4.77	-64.25
CC1=CC(N2CCC(NC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655286	1	54	0.0	-78.51	407.48	8.66	-69.85
CC1=CC(N2CCC(NC(=O)N3CC4CC3(C(=O)[O-])CO4)CC2)=NC(C)=[NH+]1	REAL300012655287	1	52	0.0	-75.84	400.06	6.37	-69.47
CC1=CC(N2CCC(NC(=O)N3CC(C)CCC3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655288	1	56	0.0	-82.54	417.67	9.42	-73.12
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)CC2)=NC(C)=[NH+]1	REAL300012655289	1	53	0.0	-70.27	406.80	6.52	-63.75
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCCCC3)CC2)=NC(C)=[NH+]1	REAL300012655290	1	59	0.0	-70.66	439.73	7.92	-62.74
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCC3)CC2)=NC(C)=[NH+]1	REAL300012655291	1	53	0.0	-70.27	406.80	6.52	-63.75
CC1=CC(N2CCC(NC(=O)N3CCC(C)C3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655292	1	53	0.0	-77.36	401.60	7.71	-69.65
C=CCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655293	1	50	0.0	-69.78	399.15	6.10	-63.68
CC1=CC(N2CCC(NC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655294	1	54	0.0	-61.83	408.28	8.58	-53.25
COC1CC(NC(=O)NC2CCN(C3=CC(C)=[NH+]C(C)=N3)CC2)(C(=O)[O-])C1	REAL300012655295	1	54	0.0	-71.28	419.40	5.20	-66.08
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CC(F)(F)C3)CC2)=NC(C)=[NH+]1	REAL300012655296	1	50	0.0	-74.76	396.23	6.37	-68.39
CO[C@H]1C[C@](NC(=O)NC2CCN(C3=CC(C)=[NH+]C(C)=N3)CC2)(C(=O)[O-])C1	REAL300012655297	1	54	0.0	-73.43	420.10	5.59	-67.84
CCC1(C(=O)[O-])CCCN1C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1	REAL300012655298	1	56	0.0	-78.54	415.72	9.33	-69.21
CC1=CC(N2CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655299	1	49	0.0	-64.62	401.76	6.37	-58.25
CC1=CC(N2CCC(NC(=O)NC(CC3CCOC3)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655300	1	57	0.0	-68.27	435.87	5.39	-62.88
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])COC3)CC2)=NC(C)=[NH+]1	REAL300012655301	1	48	0.0	-70.95	378.62	3.37	-67.58
CC1=CC(N2CCC(NC(=O)NC(C)(C(=O)[O-])C(C)C)CC2)=NC(C)=[NH+]1	REAL300012655302	1	55	0.0	-69.91	407.54	6.69	-63.22
CC1=CC(N2CCC(NC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655303	1	51	0.0	-78.09	391.83	8.65	-69.44
CC1=CC(N2CCC(NC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655304	1	54	0.0	-76.69	409.04	8.32	-68.37
C=CCSCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655305	1	54	0.0	-68.55	444.42	7.50	-61.05
CCC(C(=O)[O-])N(CC)C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1	REAL300012655306	1	55	0.0	-70.96	413.40	9.08	-61.88
COC1(C(NC(=O)NC2CCN(C3=CC(C)=[NH+]C(C)=N3)CC2)C(=O)[O-])CCC1	REAL300012655307	1	57	0.0	-68.18	434.26	5.31	-62.87
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CC(C(F)F)C3)CC2)=NC(C)=[NH+]1	REAL300012655308	1	53	0.0	-77.62	419.62	7.16	-70.46
CC1=CC(N2CCC(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655310	1	50	0.0	-74.31	392.79	7.24	-67.07
CC1=CC(N2CCC(NC(=O)N3C4C=CC(C4)C3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655311	1	52	0.0	-61.27	401.50	8.38	-52.89
CC1=CC(N2CCC(NC(=O)N3CCC(C)(C)C3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655312	1	56	0.0	-78.40	421.57	8.19	-70.21
CC1=CC(N2CCC(NC(=O)NC(CCC(C)C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655313	1	58	0.0	-70.68	447.23	7.69	-62.99
CC1=CC(N2CCC(NC(=O)N3CC4(CCC4)CC3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655314	1	57	0.0	-59.97	432.31	9.02	-50.95
CC1=CC(N2CCC(NC(=O)NC(CC3CCOC3)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655315	1	57	0.0	-68.27	435.87	5.39	-62.88
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCN(C3=CC(C)=[NH+]C(C)=N3)CC2)C1	REAL300012655316	1	54	0.0	-74.42	429.62	8.50	-65.92
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CCCC4CC43)CC2)=NC(C)=[NH+]1	REAL300012655317	1	57	0.0	-72.52	424.74	8.22	-64.30
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CCC4CC43)CC2)=NC(C)=[NH+]1	REAL300012655318	1	54	0.0	-76.09	409.16	7.57	-68.52
CC1=CC(N2CCC(NC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)CC2)=NC(C)=[NH+]1	REAL300012655319	1	57	0.0	-74.26	430.42	7.95	-66.31
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCCC3)CC2)=NC(C)=[NH+]1	REAL300012655320	1	56	0.0	-71.97	423.14	7.12	-64.85
CO[C@H](C)[C@H](NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655321	1	53	0.0	-70.31	416.18	4.88	-65.43
CC1=CC(N2CCC(NC(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)CC2)=NC(C)=[NH+]1	REAL300012655322	1	53	0.0	-72.32	400.83	6.87	-65.45
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)CC2)=NC(C)=[NH+]1	REAL300012655323	1	56	0.0	-61.89	443.59	10.46	-51.43
CC1=CC(N2CCC(NC(=O)N3CC(C)(C)CC3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655324	1	56	0.0	-61.04	425.25	8.34	-52.70
CC1=CC(N2CCC(NC(=O)N3CCC(F)(F)CC3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655325	1	53	0.0	-78.53	407.68	8.64	-69.89
CC1=CC(N2CCC(NC(=O)N3CCC(F)(F)C3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655326	1	50	0.0	-79.15	398.13	7.28	-71.87
CC1=CC(N2CCC(NC(=O)N3CC(F)(F)CC3(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655327	1	53	0.0	-68.95	414.61	8.20	-60.75
CC1=CC(N2CCC(NC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655328	1	57	0.0	-77.21	422.90	8.59	-68.62
COCCCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655329	1	56	0.0	-69.64	441.01	5.49	-64.15
CCCC(C(=O)[O-])N(C)C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1	REAL300012655330	1	55	0.0	-66.36	418.58	8.41	-57.95
CCOCC(NC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300012655331	1	53	0.0	-72.61	419.89	4.85	-67.76
CC1=CC(N2CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655332	1	58	0.0	-69.32	437.25	8.11	-61.21
CC1=CC(N2CCC(NC(=O)NC(C(=O)[O-])C3CCCCO3)CC2)=NC(C)=[NH+]1	REAL300012655333	1	57	0.0	-71.97	437.42	6.19	-65.78
CC1=CC(N2CCC(NC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655334	1	54	0.0	-77.11	408.49	7.07	-70.04
CC1=CC(N2CCC(NC(=O)NC(CCC#N)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655335	1	50	0.0	-71.25	407.52	6.13	-65.12
CC1=CC(N2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CO3)CC2)=NC(C)=[NH+]1	REAL300012655336	1	53	0.0	-61.55	419.66	8.35	-53.20
CC1=CC(N2CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300012655337	1	49	0.0	-65.09	377.69	6.71	-58.38
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCN(C3=CC(C)=[NH+]C(C)=N3)CC2)C1	REAL300012655338	1	57	0.0	-77.06	441.29	7.21	-69.85
CC1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N=C1	REAL300012655465	0	55	0.0	-65.13	428.33	7.04	-58.09
CC(C)C[C@H](NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656841	0	57	0.0	-71.37	429.20	7.26	-64.11
C=CCOCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656842	0	56	0.0	-72.97	436.84	5.78	-67.19
C=CC(C)C(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656843	0	55	0.0	-71.25	415.15	6.86	-64.39
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012656844	0	59	0.0	-72.36	440.38	5.98	-66.38
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012656845	0	55	0.0	-66.67	439.25	8.14	-58.53
COC1CCN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)C(C(=O)[O-])C1	REAL300012656846	0	59	0.0	-77.61	432.57	7.84	-69.77
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012656847	0	59	0.0	-70.50	434.81	5.76	-64.74
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012656848	0	58	0.0	-77.01	420.95	9.49	-67.52
CC1=CC(C(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C(=O)[O-])=CC=C1F	REAL300012656849	0	58	0.0	-69.39	453.23	8.72	-60.67
CC1=CC(C)=CC(C(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C(=O)[O-])=C1	REAL300012656850	0	61	0.0	-73.10	469.35	9.34	-63.76
CC1=CC=C(C(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C(=O)[O-])C=C1C	REAL300012656851	0	61	0.0	-72.88	464.96	9.22	-63.66
CC1=CC=CC(C(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C(=O)[O-])=C1C	REAL300012656852	0	61	0.0	-72.77	456.49	9.05	-63.72
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012656853	0	54	0.0	-59.77	409.78	8.52	-51.25
CC(C)OCC[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012656854	0	58	0.0	-53.32	415.69	9.55	-43.77
CCCN(C(=O)NC1CC[NH+](CCOC(C)C)CC1)C(COC)C(=O)[O-]	REAL300012656855	0	61	0.0	-72.71	452.64	9.42	-63.29
CCCN(C(=O)NC1CC[NH+](CCOC(C)C)CC1)C(CC)C(=O)[O-]	REAL300012656856	0	60	0.0	-68.50	436.06	9.38	-59.12
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012656857	0	54	0.0	-70.46	401.80	6.35	-64.11
CC(C)OCC[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012656858	0	55	0.0	-78.37	400.72	9.10	-69.27
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012656859	0	55	0.0	-68.40	442.63	8.57	-59.83
CC(C)OCC[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012656860	0	53	0.0	-75.65	400.23	8.99	-66.66
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012656861	0	58	0.0	-73.21	419.87	8.16	-65.05
CC(C)OCC[NH+]1CCC(NC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012656862	0	52	0.0	-77.09	390.00	7.47	-69.62
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012656863	0	55	0.0	-74.21	404.81	7.03	-67.18
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012656864	0	61	0.0	-73.75	425.50	8.81	-64.94
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012656865	0	58	0.0	-72.92	448.77	8.97	-63.95
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012656866	0	58	0.0	-60.03	447.28	10.77	-49.26
CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012656867	0	55	0.0	-72.21	426.27	8.10	-64.11
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012656868	0	55	0.0	-72.32	426.54	8.03	-64.29
CCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656869	0	51	0.0	-70.98	390.36	5.94	-65.04
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012656870	0	54	0.0	-70.46	401.80	6.35	-64.11
CC(C)OCC[NH+]1CCC(NC(=O)N(C)CC(=O)[O-])CC1	REAL300012656871	0	48	0.0	-70.71	366.46	6.79	-63.92
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012656872	0	58	0.0	-72.92	448.77	8.97	-63.95
CC(C)OCC[NH+]1CCC(NC(=O)NC(C)C(=O)[O-])CC1	REAL300012656873	0	48	0.0	-63.26	368.52	4.92	-58.34
CCC(C)C(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656874	0	57	0.0	-71.98	421.59	6.90	-65.08
CC(C)OCC[NH+]1CCC(NC(=O)N(C)CC(=O)[O-])CC1	REAL300012656875	0	48	0.0	-70.71	366.46	6.79	-63.92
CC(C)OCC[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012656876	0	55	0.0	-78.37	400.72	9.10	-69.27
CCCC(C)(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656877	0	57	0.0	-69.36	415.99	7.07	-62.29
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012656878	0	54	0.0	-70.47	397.91	8.03	-62.44
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012656879	0	52	0.0	-73.42	389.28	8.07	-65.35
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012656880	0	52	0.0	-59.61	401.09	8.32	-51.29
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012656881	0	57	0.0	-59.84	424.44	9.04	-50.80
CC(C)OCC[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012656882	0	59	0.0	-79.02	438.55	11.14	-67.88
CC(C)OCC[NH+]1CCC(NC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012656883	0	51	0.0	-61.86	381.10	5.32	-56.54
CC(C)OCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012656884	0	55	0.0	-71.17	403.93	7.08	-64.09
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012656885	0	52	0.0	-70.67	418.10	7.11	-63.56
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012656886	0	58	0.0	-73.21	419.87	8.16	-65.05
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012656887	0	54	0.0	-70.47	397.91	8.03	-62.44
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012656888	0	54	0.0	-59.77	409.78	8.52	-51.25
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012656889	0	51	0.0	-70.15	388.28	7.76	-62.39
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656890	0	57	0.0	-72.21	421.59	6.91	-65.30
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012656891	0	55	0.0	-74.21	404.81	7.03	-67.18
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012656892	0	58	0.0	-57.47	453.68	10.84	-46.63
CCC(C)(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656893	0	54	0.0	-69.55	394.49	6.31	-63.24
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012656894	0	59	0.0	-73.51	445.85	9.33	-64.18
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012656895	0	55	0.0	-72.35	437.37	8.17	-64.18
CC(C)OCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012656896	0	58	0.0	-72.28	434.30	8.80	-63.48
CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300012656897	0	48	0.0	-63.22	368.51	4.93	-58.29
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012656898	0	51	0.0	-70.15	388.28	7.76	-62.39
CCCCCCC(C)(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656899	0	66	0.0	-69.80	480.49	9.40	-60.40
CC(C)OCC[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012656900	0	61	0.0	-70.33	457.86	10.99	-59.34
CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)C(=O)[O-])CC1	REAL300012656901	0	48	0.0	-63.91	368.83	4.89	-59.02
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012656902	0	49	0.0	-74.90	374.67	6.14	-68.76
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012656903	0	55	0.0	-68.40	442.63	8.57	-59.83
CC(C)OCC[NH+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012656904	0	53	0.0	-75.00	391.24	6.44	-68.56
CC(C)OCC[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012656905	0	61	0.0	-75.74	429.10	9.50	-66.24
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012656906	0	52	0.0	-71.61	400.12	6.49	-65.12
CC(C)OCC[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012656907	0	61	0.0	-60.46	469.68	11.55	-48.91
CC(C)OCC[NH+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012656908	0	58	0.0	-76.26	437.09	9.62	-66.64
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012656909	0	55	0.0	-60.74	419.66	6.94	-53.80
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012656910	0	59	0.0	-75.03	441.19	9.08	-65.95
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012656911	0	52	0.0	-77.52	391.32	7.46	-70.06
CC(C)OCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012656912	0	55	0.0	-77.50	400.23	8.86	-68.64
CC(C)OCC[NH+]1CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012656913	0	51	0.0	-67.89	380.31	6.96	-60.93
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012656914	0	52	0.0	-76.65	390.01	7.47	-69.18
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012656915	0	52	0.0	-73.86	391.47	6.65	-67.21
C=CCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656916	0	52	0.0	-69.93	402.83	6.41	-63.52
CC(C)OCC[NH+]1CCC(NC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012656917	0	55	0.0	-76.29	406.26	8.42	-67.87
CC(C)OCC[NH+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012656918	0	58	0.0	-75.83	414.48	9.82	-66.01
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012656919	0	52	0.0	-71.61	400.12	6.49	-65.12
CC(C)OCC[NH+]1CCC(NC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012656920	0	51	0.0	-67.94	380.44	7.02	-60.92
CCCCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656921	0	57	0.0	-70.61	432.52	7.51	-63.10
CC(C)OCC[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012656922	0	61	0.0	-60.46	469.68	11.55	-48.91
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012656923	0	55	0.0	-76.35	406.19	8.39	-67.96
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012656924	0	58	0.0	-57.20	418.38	9.11	-48.09
COCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656925	0	52	0.0	-72.31	401.72	4.18	-68.13
CCCCCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656926	0	60	0.0	-70.04	454.61	8.33	-61.71
CCC1CCC(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)(C(=O)[O-])CC1	REAL300012656927	0	64	0.0	-74.06	458.75	9.38	-64.68
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012656928	0	59	0.0	-59.05	433.05	7.65	-51.40
CC(C)OCC[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012656929	0	58	0.0	-76.40	417.55	9.06	-67.34
CC(C)OCC[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012656930	0	55	0.0	-61.18	406.85	8.43	-52.75
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](CCOC(C)C)CC1)C1CC1	REAL300012656931	0	58	0.0	-62.73	427.15	9.42	-53.31
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012656932	0	55	0.0	-74.03	438.42	8.46	-65.57
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012656933	0	55	0.0	-76.99	430.09	8.12	-68.87
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012656934	0	59	0.0	-61.97	441.34	10.47	-51.50
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012656935	0	64	0.0	-71.96	470.73	9.15	-62.81
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012656936	0	61	0.0	-58.67	459.46	11.38	-47.29
CC1=CC=C(C(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C(=O)[O-])C=C1	REAL300012656937	0	58	0.0	-72.45	447.91	8.70	-63.75
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012656938	0	51	0.0	-65.23	406.28	6.63	-58.60
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012656939	0	56	0.0	-70.04	417.54	7.84	-62.20
COCC(C)(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656940	0	55	0.0	-73.87	412.74	5.59	-68.28
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012656941	0	58	0.0	-69.33	432.97	7.46	-61.87
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012656942	0	57	0.0	-59.84	424.44	9.04	-50.80
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012656943	0	52	0.0	-73.42	389.28	8.07	-65.35
CC(C)OCC[NH+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012656944	0	54	0.0	-59.79	427.91	8.90	-50.89
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012656945	0	53	0.0	-69.60	395.99	4.45	-65.15
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012656946	0	61	0.0	-72.90	444.10	8.16	-64.74
CC(C)OCC[NH+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012656947	0	62	0.0	-70.67	459.64	8.75	-61.92
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012656948	0	56	0.0	-73.33	411.30	5.67	-67.66
C=CCCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656949	0	55	0.0	-70.19	424.42	7.33	-62.86
CC(C)OCC[NH+]1CCC(NC(=O)NC(CF)C(=O)[O-])CC1	REAL300012656950	0	48	0.0	-60.64	371.98	4.97	-55.67
CC(C)OCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012656951	0	61	0.0	-52.21	457.35	11.77	-40.44
CC(C)OCC[NH+]1CCC(NC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012656952	0	51	0.0	-67.94	380.44	7.02	-60.92
CCC(CC)(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656953	0	57	0.0	-71.00	411.16	7.20	-63.80
COC1=CC=C(C(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C(=O)[O-])C=C1	REAL300012656954	0	59	0.0	-71.63	455.39	7.34	-64.29
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012656955	0	57	0.0	-59.26	419.00	9.09	-50.17
CCC(COC)(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656956	0	58	0.0	-74.73	429.18	6.51	-68.22
CC(C)OCC[NH+]1CCC(NC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012656957	0	61	0.0	-69.81	453.25	8.21	-61.60
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012656958	0	55	0.0	-70.57	422.47	7.39	-63.18
COCCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656959	0	55	0.0	-71.17	424.03	5.00	-66.17
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012656960	0	60	0.0	-69.25	439.64	9.54	-59.71
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012656961	0	51	0.0	-69.82	401.87	6.25	-63.57
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012656962	0	61	0.0	-78.47	440.86	10.38	-68.09
CCCN(C(=O)NC1CC[NH+](CCOC(C)C)CC1)C(C)C(=O)[O-]	REAL300012656963	0	57	0.0	-54.64	420.95	9.32	-45.32
CC(C)OCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012656964	0	61	0.0	-75.78	458.16	11.62	-64.16
CCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012656965	0	61	0.0	-72.08	451.30	9.69	-62.39
COC1CCCC(C(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C(=O)[O-])C1	REAL300012656966	0	65	0.0	-75.32	475.87	7.23	-68.09
CC(C)OCC[NH+]1CCC(NC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012656967	0	51	0.0	-69.73	396.95	6.08	-63.65
COC1(CC(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C(=O)[O-])CCC1	REAL300012656968	0	62	0.0	-69.73	460.25	7.13	-62.60
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012656969	0	59	0.0	-59.05	433.05	7.65	-51.40
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012656970	0	61	0.0	-58.77	442.02	10.04	-48.73
CC(C)OCC[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012656971	0	61	0.0	-73.95	433.48	8.51	-65.44
COC1=CC=CC(C(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C(=O)[O-])=C1	REAL300012656972	0	59	0.0	-73.98	455.79	7.38	-66.60
CC(C)OCC[NH+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012656973	0	54	0.0	-66.33	401.08	6.45	-59.88
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012656974	0	56	0.0	-63.05	424.22	8.66	-54.39
CC(C)OCC[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012656975	0	52	0.0	-70.34	403.02	7.64	-62.70
COC1=CC=CC([C@H](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C(=O)[O-])=C1	REAL300012656976	0	59	0.0	-74.13	455.40	7.35	-66.78
CC(C)OCC[NH+]1CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012656977	0	51	0.0	-67.59	381.37	7.02	-60.57
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1	REAL300012656978	0	61	0.0	-77.18	455.32	9.75	-67.43
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012656979	0	64	0.0	-73.84	447.77	9.00	-64.84
CC(C)OCC[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012656980	0	53	0.0	-79.53	394.97	8.45	-71.08
COC1CN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)C(C)(C(=O)[O-])C1	REAL300012656981	0	59	0.0	-75.80	438.12	7.41	-68.39
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012656982	0	62	0.0	-69.93	461.51	6.85	-63.08
CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012656983	0	57	0.0	-72.13	421.15	7.06	-65.07
C=C(Cl)CC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656984	0	52	0.0	-67.36	418.83	7.06	-60.30
C=C(C)CC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656985	0	55	0.0	-70.97	423.26	7.31	-63.66
CC(C)OCC[NH+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012656986	0	56	0.0	-82.91	411.23	9.27	-73.64
CC(C)OCC[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012656987	0	52	0.0	-71.29	404.30	7.63	-63.66
CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012656988	0	52	0.0	-74.56	396.50	7.53	-67.03
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1	REAL300012656989	0	53	0.0	-76.53	403.28	7.96	-68.57
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012656990	0	62	0.0	-70.32	457.36	7.49	-62.83
CC(C)C[C@H](NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656991	0	57	0.0	-71.37	429.20	7.26	-64.11
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012656992	0	59	0.0	-72.36	440.38	5.98	-66.38
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012656993	0	55	0.0	-72.32	426.54	8.03	-64.29
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012656994	0	55	0.0	-70.57	422.47	7.39	-63.18
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012656995	0	54	0.0	-69.80	435.33	6.13	-63.67
CC(C)CCCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656996	0	63	0.0	-70.46	472.42	8.78	-61.68
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012656997	0	59	0.0	-74.58	446.30	6.39	-68.19
CSCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656998	0	52	0.0	-67.86	413.15	6.40	-61.46
COC[C@H](NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012656999	0	52	0.0	-72.91	402.22	4.18	-68.73
CC[C@H](NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657000	0	51	0.0	-70.89	390.10	6.01	-64.88
CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012657001	0	58	0.0	-69.71	454.94	9.10	-60.61
CCC(C)CC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657002	0	60	0.0	-70.38	447.04	7.96	-62.42
C=CCCCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657003	0	58	0.0	-70.84	446.16	8.05	-62.79
CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012657004	0	58	0.0	-69.90	454.31	9.05	-60.85
CC(C)OCC[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012657005	0	53	0.0	-75.65	400.23	8.99	-66.66
CC(C)OCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012657006	0	58	0.0	-72.28	434.30	8.80	-63.48
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012657007	0	52	0.0	-77.52	391.32	7.46	-70.06
CCCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657008	0	54	0.0	-70.42	411.61	6.77	-63.65
CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300012657009	0	54	0.0	-70.08	401.81	6.36	-63.72
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012657010	0	56	0.0	-80.86	410.88	9.44	-71.42
CCN(C(=O)NC1CC[NH+](CCOC(C)C)CC1)C(C)(C)C(=O)[O-]	REAL300012657011	0	57	0.0	-72.59	415.03	8.70	-63.89
CCCN(C(=O)NC1CC[NH+](CCOC(C)C)CC1)C(C)C(=O)[O-]	REAL300012657012	0	57	0.0	-54.64	420.95	9.32	-45.32
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012657013	0	51	0.0	-66.51	402.90	8.26	-58.25
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012657014	0	51	0.0	-66.51	402.90	8.26	-58.25
CC(C)OCC[NH+]1CCC(NC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012657015	0	54	0.0	-73.24	395.63	7.78	-65.46
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012657016	0	52	0.0	-76.65	390.01	7.47	-69.18
CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012657017	0	53	0.0	-79.33	400.96	4.12	-75.21
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012657018	0	59	0.0	-56.77	442.62	10.93	-45.84
CCC[C@@H](NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657019	0	54	0.0	-70.14	411.60	6.78	-63.36
CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012657020	0	55	0.0	-72.21	426.27	8.10	-64.11
CC(C)OCC[NH+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012657021	0	60	0.0	-72.99	466.64	7.96	-65.03
C=CCCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657022	0	55	0.0	-70.19	424.42	7.33	-62.86
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012657023	0	54	0.0	-74.10	435.29	5.96	-68.14
CC(C)OCC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012657024	0	55	0.0	-84.20	419.62	5.39	-78.81
CC(C)OCC[NH+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012657025	0	56	0.0	-69.47	416.11	6.86	-62.61
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012657026	0	55	0.0	-75.72	406.17	8.42	-67.30
CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300012657027	0	54	0.0	-69.93	404.52	6.50	-63.43
CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012657028	0	55	0.0	-72.45	426.48	8.02	-64.43
CC(C)OCC[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012657029	0	58	0.0	-72.82	435.95	7.36	-65.46
CC(C)OCC[NH+]1CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012657030	0	51	0.0	-67.59	381.37	7.02	-60.57
CCC[C@H](NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657031	0	54	0.0	-70.62	411.01	6.74	-63.88
CCN(C(=O)NC1CC[NH+](CCOC(C)C)CC1)C(C)C(=O)[O-]	REAL300012657032	0	54	0.0	-68.95	399.19	7.87	-61.08
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012657033	0	58	0.0	-57.20	418.38	9.11	-48.09
CC(C)OCC[NH+]1CCC(NC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300012657034	0	54	0.0	-74.40	401.81	7.69	-66.71
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657035	0	57	0.0	-72.21	421.59	6.91	-65.30
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012657036	0	54	0.0	-68.35	401.82	8.10	-60.25
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012657037	0	56	0.0	-79.20	422.12	3.83	-75.37
CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012657038	0	64	0.0	-74.14	472.92	7.25	-66.89
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012657039	0	58	0.0	-73.18	426.42	7.67	-65.51
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012657040	0	61	0.0	-74.46	435.90	8.41	-66.05
COCCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657041	0	55	0.0	-71.17	424.03	5.00	-66.17
CC(C)OCC[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012657042	0	61	0.0	-70.33	457.86	10.99	-59.34
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012657043	0	58	0.0	-74.31	427.92	8.36	-65.95
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012657044	0	55	0.0	-72.25	411.82	7.29	-64.96
CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012657045	0	64	0.0	-73.04	474.86	7.18	-65.86
CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012657046	0	53	0.0	-81.92	399.77	4.36	-77.56
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012657047	0	56	0.0	-68.83	423.07	5.09	-63.74
CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012657048	0	56	0.0	-79.86	410.85	9.00	-70.86
CC(C)OCC[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012657049	0	54	0.0	-76.39	403.52	6.67	-69.72
CC(C)OCC[NH+]1CCC(NC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012657050	0	58	0.0	-78.51	421.26	9.73	-68.78
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012657051	0	61	0.0	-70.34	462.76	9.29	-61.05
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012657052	0	62	0.0	-70.71	458.58	9.74	-60.97
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012657053	0	55	0.0	-70.83	410.02	6.90	-63.93
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012657054	0	61	0.0	-72.90	444.10	8.16	-64.74
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012657055	0	55	0.0	-70.83	410.02	6.90	-63.93
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012657056	0	55	0.0	-78.03	410.43	8.15	-69.88
C=CCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657057	0	52	0.0	-69.93	402.83	6.41	-63.52
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012657058	0	62	0.0	-70.69	462.58	7.68	-63.01
CC(C)OCC[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012657059	0	62	0.0	-54.30	436.07	9.70	-44.60
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012657060	0	62	0.0	-73.14	440.40	6.94	-66.20
CC(C)OCC[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012657061	0	56	0.0	-56.60	411.83	8.89	-47.71
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012657062	0	62	0.0	-70.71	458.58	9.74	-60.97
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012657063	0	58	0.0	-73.83	455.18	9.03	-64.80
COC1CC(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)(C(=O)[O-])C1	REAL300012657064	0	56	0.0	-76.05	424.84	5.61	-70.44
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012657065	0	52	0.0	-71.99	399.91	6.68	-65.31
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)(C(=O)[O-])C1	REAL300012657066	0	56	0.0	-72.35	423.90	5.88	-66.47
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012657067	0	55	0.0	-73.31	430.46	7.74	-65.57
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012657068	0	58	0.0	-78.60	419.51	9.63	-68.97
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012657069	0	51	0.0	-65.23	406.28	6.63	-58.60
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012657070	0	59	0.0	-72.32	445.21	6.01	-66.31
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012657071	0	50	0.0	-68.25	382.30	3.69	-64.56
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012657072	0	55	0.0	-71.30	439.83	8.04	-63.26
CC(C)OCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012657073	0	57	0.0	-70.44	411.23	7.01	-63.43
CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012657074	0	53	0.0	-78.69	396.16	9.02	-69.67
CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012657075	0	56	0.0	-78.44	412.16	8.60	-69.84
CC(C)OCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012657076	0	61	0.0	-75.78	458.16	11.62	-64.16
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012657077	0	64	0.0	-71.96	470.73	9.15	-62.81
CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012657078	0	61	0.0	-71.59	470.92	9.77	-61.82
CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012657079	0	61	0.0	-71.15	471.53	9.80	-61.35
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012657080	0	62	0.0	-72.69	453.03	8.77	-63.92
CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012657081	0	64	0.0	-71.34	470.62	9.21	-62.13
CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012657082	0	64	0.0	-71.94	470.67	9.16	-62.78
CC(C)OCC[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012657083	0	62	0.0	-55.97	450.89	9.82	-46.15
CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012657084	0	62	0.0	-78.58	447.89	9.55	-69.03
C=CCSCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657085	0	56	0.0	-68.30	448.33	7.74	-60.56
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012657086	0	57	0.0	-69.29	415.38	8.83	-60.46
COC1(C(NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C(=O)[O-])CCC1	REAL300012657087	0	59	0.0	-68.51	437.91	5.63	-62.88
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012657088	0	55	0.0	-72.66	421.86	7.38	-65.28
CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012657090	0	52	0.0	-74.56	396.50	7.53	-67.03
CC(C)OCC[NH+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012657091	0	54	0.0	-57.32	405.13	8.69	-48.63
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012657092	0	58	0.0	-77.77	425.23	8.52	-69.25
CC(C)OCC[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012657093	0	62	0.0	-76.89	445.63	10.53	-66.36
CC(C)CCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657094	0	60	0.0	-70.97	450.92	8.00	-62.97
CC(C)OCC[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012657095	0	59	0.0	-56.17	436.01	9.34	-46.83
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012657096	0	59	0.0	-72.32	445.21	6.01	-66.31
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1	REAL300012657097	0	56	0.0	-74.16	432.41	9.02	-65.14
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012657098	0	59	0.0	-75.79	425.69	8.80	-66.99
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012657099	0	56	0.0	-75.79	412.85	7.89	-67.90
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012657100	0	59	0.0	-74.85	440.19	8.51	-66.34
CC(C)OCC[NH+]1CCC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012657101	0	61	0.0	-70.88	459.36	11.03	-59.85
CC(C)OCC[NH+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012657102	0	65	0.0	-55.99	465.13	10.29	-45.70
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012657103	0	58	0.0	-70.97	426.53	7.54	-63.43
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657104	0	55	0.0	-72.47	420.21	5.26	-67.21
CC(C)OCC[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012657105	0	55	0.0	-72.69	404.52	7.17	-65.52
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012657106	0	58	0.0	-60.03	447.28	10.77	-49.26
CC(C)OCC[NH+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012657107	0	58	0.0	-56.28	428.98	8.66	-47.62
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012657108	0	55	0.0	-75.57	411.22	8.94	-66.63
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012657109	0	52	0.0	-80.51	403.08	7.60	-72.91
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012657110	0	58	0.0	-73.83	455.18	9.03	-64.80
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012657111	0	55	0.0	-70.62	438.76	7.91	-62.71
CC(C)OCC[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012657112	0	55	0.0	-69.71	418.31	8.52	-61.19
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012657113	0	55	0.0	-70.62	438.76	7.91	-62.71
CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012657114	0	59	0.0	-79.19	428.00	9.01	-70.18
COCCCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657115	0	58	0.0	-70.03	444.69	5.80	-64.23
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300012657116	0	57	0.0	-68.87	422.26	8.72	-60.15
CCOCC(NC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300012657117	0	55	0.0	-72.58	424.07	5.16	-67.42
CC(C)OCC[NH+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012657118	0	60	0.0	-71.11	441.19	8.35	-62.76
CC(C)OCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012657119	0	59	0.0	-73.50	441.10	6.51	-66.99
CC(C)OCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012657120	0	59	0.0	-73.51	445.85	9.33	-64.18
CC(C)OCC[NH+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012657121	0	56	0.0	-77.38	411.72	7.43	-69.95
CC(C)OCC[NH+]1CCC(NC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012657122	0	52	0.0	-71.67	410.97	6.51	-65.16
CC(C)OCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012657123	0	55	0.0	-60.83	428.94	8.92	-51.91
CC(C)OCC[NH+]1CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012657124	0	51	0.0	-67.89	380.31	6.96	-60.93
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1	REAL300012657125	0	59	0.0	-76.80	444.21	7.82	-68.98
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300012657225	0	62	0.0	-78.77	465.82	10.59	-68.18
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300012657225	1	62	0.0	-73.52	472.78	11.02	-62.50
C=CCOCC(NC(=O)NCC1=CC=CC(C[N@@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657226	0	61	0.0	-74.40	480.40	9.45	-64.95
C=CCOCC(NC(=O)NCC1=CC=CC(C[N@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657226	1	61	0.0	-74.56	480.18	9.43	-65.13
C=CC(C)C(NC(=O)NCC1=CC=CC(C[N@@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657227	0	60	0.0	-76.60	463.80	10.82	-65.78
C=CC(C)C(NC(=O)NCC1=CC=CC(C[N@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657227	1	60	0.0	-77.76	465.59	10.81	-66.95
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)CC2C(=O)[O-])=C1	REAL300012657228	0	63	0.0	-87.58	451.03	12.84	-74.74
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)CC2C(=O)[O-])=C1	REAL300012657228	1	63	0.0	-88.21	458.43	13.25	-74.96
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CCC)CC(=O)[O-])=C1	REAL300012657229	0	59	0.0	-58.73	453.21	12.23	-46.50
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CCC)CC(=O)[O-])=C1	REAL300012657229	1	59	0.0	-59.23	453.48	12.23	-47.00
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)=C1	REAL300012657230	0	63	0.0	-61.19	465.52	12.63	-48.56
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)=C1	REAL300012657230	1	63	0.0	-66.25	467.02	12.70	-53.55
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CCC)C(CC)C(=O)[O-])=C1	REAL300012657231	0	65	0.0	-69.73	480.81	13.28	-56.45
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CCC)C(CC)C(=O)[O-])=C1	REAL300012657231	1	65	0.0	-54.65	476.54	13.84	-40.81
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300012657232	0	59	0.0	-78.58	445.89	9.99	-68.59
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300012657232	1	59	0.0	-79.03	446.16	9.99	-69.04
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCCCC2C(=O)[O-])=C1	REAL300012657233	0	60	0.0	-87.15	444.01	12.88	-74.27
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCCCC2C(=O)[O-])=C1	REAL300012657233	1	60	0.0	-87.98	444.30	12.89	-75.09
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCSCC2C(=O)[O-])=C1	REAL300012657234	0	58	0.0	-82.02	436.08	12.28	-69.74
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCSCC2C(=O)[O-])=C1	REAL300012657234	1	58	0.0	-83.91	443.82	12.60	-71.31
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300012657235	0	63	0.0	-83.16	463.28	11.87	-71.29
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300012657235	1	63	0.0	-83.61	463.57	11.87	-71.74
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCCC2C(=O)[O-])=C1	REAL300012657236	0	57	0.0	-85.65	432.37	11.54	-74.11
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCCC2C(=O)[O-])=C1	REAL300012657236	1	57	0.0	-80.15	432.82	11.57	-68.58
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300012657237	0	60	0.0	-82.86	448.77	10.78	-72.08
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300012657237	1	60	0.0	-83.37	449.06	10.77	-72.60
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC(=O)[O-])=C1	REAL300012657238	0	50	0.0	-64.85	391.16	7.81	-57.04
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC(=O)[O-])=C1	REAL300012657238	1	50	0.0	-65.12	391.43	7.80	-57.32
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012657239	0	60	0.0	-79.61	469.95	11.72	-67.89
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012657239	1	60	0.0	-76.17	470.52	11.73	-64.44
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012657240	0	60	0.0	-74.43	469.31	11.75	-62.68
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012657240	1	60	0.0	-75.90	470.18	11.72	-64.18
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CC)C(=O)[O-])=C1	REAL300012657241	0	56	0.0	-72.24	432.94	9.67	-62.57
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CC)C(=O)[O-])=C1	REAL300012657241	1	56	0.0	-73.58	434.05	9.65	-63.93
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300012657242	0	59	0.0	-78.58	445.89	9.99	-68.59
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300012657242	1	59	0.0	-79.03	446.16	9.99	-69.04
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)CC(=O)[O-])=C1	REAL300012657243	0	53	0.0	-77.37	409.90	10.49	-66.88
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)CC(=O)[O-])=C1	REAL300012657243	1	53	0.0	-77.72	410.17	10.49	-67.23
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C)C(=O)[O-])=C1	REAL300012657244	0	53	0.0	-64.54	411.95	8.64	-55.90
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C)C(=O)[O-])=C1	REAL300012657244	1	53	0.0	-64.89	412.22	8.64	-56.25
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C(C)CC)=C1	REAL300012657245	0	62	0.0	-74.03	468.76	10.86	-63.17
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C(C)CC)=C1	REAL300012657245	1	62	0.0	-72.67	466.26	10.81	-61.86
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)CC(=O)[O-])=C1	REAL300012657246	0	53	0.0	-77.37	409.90	10.49	-66.88
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)CC(=O)[O-])=C1	REAL300012657246	1	53	0.0	-77.72	410.17	10.49	-67.23
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCCCC2C(=O)[O-])=C1	REAL300012657247	0	60	0.0	-87.15	444.01	12.88	-74.27
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCCCC2C(=O)[O-])=C1	REAL300012657247	1	60	0.0	-87.98	444.30	12.89	-75.09
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C)(CCC)C(=O)[O-])=C1	REAL300012657248	0	62	0.0	-73.71	459.41	10.79	-62.92
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C)(CCC)C(=O)[O-])=C1	REAL300012657248	1	62	0.0	-74.43	459.69	10.79	-63.64
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300012657249	0	59	0.0	-59.08	441.77	11.74	-47.34
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300012657249	1	59	0.0	-59.70	442.04	11.75	-47.95
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300012657250	0	57	0.0	-78.73	436.69	11.88	-66.85
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300012657250	1	57	0.0	-79.12	437.01	11.88	-67.24
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+](CC)CCCC)=C1	REAL300012657251	0	57	0.0	-58.53	444.52	12.04	-46.49
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+](CC)CCCC)=C1	REAL300012657251	1	57	0.0	-59.08	444.79	12.04	-47.04
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300012657252	0	62	0.0	-58.72	467.86	12.75	-45.97
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300012657252	1	62	0.0	-59.16	468.15	12.75	-46.41
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C)(C)C(=O)[O-])=C1	REAL300012657253	0	56	0.0	-63.85	424.52	9.03	-54.82
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C)(C)C(=O)[O-])=C1	REAL300012657253	1	56	0.0	-64.11	424.80	9.03	-55.08
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300012657254	0	60	0.0	-76.71	447.24	10.75	-65.96
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300012657254	1	60	0.0	-81.18	447.70	10.77	-70.41
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300012657255	0	63	0.0	-83.16	463.28	11.87	-71.29
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300012657255	1	63	0.0	-83.61	463.57	11.87	-71.74
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300012657256	0	59	0.0	-59.08	441.77	11.74	-47.34
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300012657256	1	59	0.0	-59.70	442.04	11.75	-47.95
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CCC)CC(=O)[O-])=C1	REAL300012657257	0	59	0.0	-58.73	453.21	12.23	-46.50
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CCC)CC(=O)[O-])=C1	REAL300012657257	1	59	0.0	-59.23	453.48	12.23	-47.00
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CC)CC(=O)[O-])=C1	REAL300012657258	0	56	0.0	-77.83	431.71	11.47	-66.36
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CC)CC(=O)[O-])=C1	REAL300012657258	1	56	0.0	-78.20	431.98	11.47	-66.73
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300012657259	0	62	0.0	-78.81	458.60	10.32	-68.49
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300012657259	1	62	0.0	-73.38	463.64	10.59	-62.79
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300012657260	0	60	0.0	-82.86	448.77	10.78	-72.08
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300012657260	1	60	0.0	-83.37	449.06	10.77	-72.60
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C)(CC)C(=O)[O-])=C1	REAL300012657261	0	59	0.0	-73.41	437.92	10.03	-63.38
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C)(CC)C(=O)[O-])=C1	REAL300012657261	1	59	0.0	-74.15	438.19	10.03	-64.12
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300012657262	0	53	0.0	-64.44	411.77	8.66	-55.78
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300012657262	1	53	0.0	-64.78	412.06	8.66	-56.12
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CC)CC(=O)[O-])=C1	REAL300012657263	0	56	0.0	-77.83	431.71	11.47	-66.36
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CC)CC(=O)[O-])=C1	REAL300012657263	1	56	0.0	-78.20	431.98	11.47	-66.73
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](C)C(=O)[O-])=C1	REAL300012657264	0	53	0.0	-66.45	411.94	8.64	-57.81
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](C)C(=O)[O-])=C1	REAL300012657264	1	53	0.0	-66.75	412.23	8.64	-58.11
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC2)=C1	REAL300012657265	0	54	0.0	-83.59	412.40	9.52	-74.07
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC2)=C1	REAL300012657265	1	54	0.0	-83.93	418.37	9.86	-74.07
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCOCC2C(=O)[O-])=C1	REAL300012657266	0	58	0.0	-81.70	427.56	9.78	-71.92
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCOCC2C(=O)[O-])=C1	REAL300012657266	1	58	0.0	-84.46	435.35	10.18	-74.28
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300012657267	0	57	0.0	-78.97	438.00	10.13	-68.84
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300012657267	1	57	0.0	-80.00	440.44	10.15	-69.85
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CCOC)CC(=O)[O-])=C1	REAL300012657268	0	60	0.0	-59.51	463.08	10.66	-48.85
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CCOC)CC(=O)[O-])=C1	REAL300012657268	1	60	0.0	-59.88	463.36	10.66	-49.22
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300012657269	0	57	0.0	-80.63	433.14	11.23	-69.40
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300012657269	1	57	0.0	-81.52	433.88	11.25	-70.27
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300012657270	0	60	0.0	-85.80	442.99	12.56	-73.24
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300012657270	1	60	0.0	-86.57	443.84	12.76	-73.81
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])=C1	REAL300012657271	0	56	0.0	-69.00	418.04	10.33	-58.67
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])=C1	REAL300012657271	1	56	0.0	-73.09	425.08	10.73	-62.36
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300012657272	0	57	0.0	-86.05	433.09	11.26	-74.79
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300012657272	1	57	0.0	-85.79	433.82	11.30	-74.49
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300012657273	0	57	0.0	-83.65	429.32	10.01	-73.64
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300012657273	1	57	0.0	-83.87	435.18	10.37	-73.50
C=CCC(NC(=O)NCC1=CC=CC(C[N@@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657274	0	57	0.0	-72.59	447.10	10.10	-62.49
C=CCC(NC(=O)NCC1=CC=CC(C[N@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657274	1	57	0.0	-73.32	447.37	10.10	-63.22
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300012657275	0	60	0.0	-79.16	449.61	12.13	-67.03
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300012657275	1	60	0.0	-86.95	450.18	12.12	-74.83
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCCCCC2C(=O)[O-])=C1	REAL300012657276	0	63	0.0	-82.43	452.16	13.17	-69.26
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCCCCC2C(=O)[O-])=C1	REAL300012657276	1	63	0.0	-85.06	457.11	13.22	-71.84
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300012657277	0	57	0.0	-78.97	438.00	10.13	-68.84
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300012657277	1	57	0.0	-80.00	440.44	10.15	-69.85
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)C(C)C(=O)[O-])=C1	REAL300012657278	0	56	0.0	-68.81	423.87	10.73	-58.08
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)C(C)C(=O)[O-])=C1	REAL300012657278	1	56	0.0	-69.31	424.00	10.67	-58.64
CCCCC(NC(=O)NCC1=CC=CC(C[N@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657279	0	62	0.0	-72.78	476.22	11.21	-61.57
CCCCC(NC(=O)NCC1=CC=CC(C[N@@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657279	1	62	0.0	-72.10	475.95	11.21	-60.89
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300012657280	0	60	0.0	-79.14	449.45	12.09	-67.05
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300012657280	1	60	0.0	-79.84	449.89	12.13	-67.71
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300012657281	0	63	0.0	-67.26	467.86	13.02	-54.24
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300012657281	1	63	0.0	-58.39	468.32	13.05	-45.34
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(COC)C(=O)[O-])=C1	REAL300012657282	0	57	0.0	-73.81	445.15	7.88	-65.93
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(COC)C(=O)[O-])=C1	REAL300012657282	1	57	0.0	-75.03	445.91	7.90	-67.13
CCCCCC(NC(=O)NCC1=CC=CC(C[N@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657283	0	65	0.0	-73.39	498.55	11.98	-61.41
CCCCCC(NC(=O)NCC1=CC=CC(C[N@@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657283	1	65	0.0	-72.08	497.44	11.99	-60.09
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)=C1	REAL300012657284	0	63	0.0	-79.42	459.33	12.45	-66.97
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)=C1	REAL300012657284	1	63	0.0	-80.06	459.60	12.45	-67.61
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300012657285	0	60	0.0	-60.71	450.02	12.01	-48.70
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300012657285	1	60	0.0	-61.11	450.26	12.00	-49.11
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C(CC)C(=O)[O-])C2CC2)=C1	REAL300012657286	0	63	0.0	-66.02	470.76	13.15	-52.87
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C(CC)C(=O)[O-])C2CC2)=C1	REAL300012657286	1	63	0.0	-66.07	470.98	13.14	-52.93
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300012657287	0	60	0.0	-77.60	456.16	9.32	-68.28
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300012657287	1	60	0.0	-78.29	456.44	9.32	-68.97
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)C(COCC)C(=O)[O-])=C1	REAL300012657288	0	63	0.0	-70.35	475.44	11.06	-59.29
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)C(COCC)C(=O)[O-])=C1	REAL300012657288	1	63	0.0	-70.61	476.24	11.16	-59.45
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300012657289	0	62	0.0	-58.72	467.86	12.75	-45.97
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300012657289	1	62	0.0	-59.16	468.15	12.75	-46.41
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300012657290	0	57	0.0	-78.73	436.69	11.88	-66.85
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300012657290	1	57	0.0	-79.12	437.01	11.88	-67.24
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300012657291	0	58	0.0	-73.74	433.61	7.83	-65.91
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300012657291	1	58	0.0	-74.16	439.70	8.16	-66.00
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300012657292	0	61	0.0	-81.93	449.02	9.04	-72.89
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300012657292	1	61	0.0	-82.19	454.99	9.37	-72.82
C=CCCC(NC(=O)NCC1=CC=CC(C[N@@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657293	0	60	0.0	-72.59	468.09	10.98	-61.61
C=CCCC(NC(=O)NCC1=CC=CC(C[N@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657293	1	60	0.0	-73.20	468.36	10.98	-62.22
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CF)C(=O)[O-])=C1	REAL300012657294	0	53	0.0	-62.86	415.57	8.65	-54.21
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CF)C(=O)[O-])=C1	REAL300012657294	1	53	0.0	-63.22	415.84	8.65	-54.57
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)C(C)C(=O)[O-])=C1	REAL300012657295	0	56	0.0	-68.81	423.87	10.73	-58.08
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)C(C)C(=O)[O-])=C1	REAL300012657295	1	56	0.0	-69.31	424.00	10.67	-58.64
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300012657296	0	62	0.0	-80.28	454.30	10.92	-69.36
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300012657296	1	62	0.0	-75.26	454.86	10.92	-64.34
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C(C)CC)=C1	REAL300012657297	0	62	0.0	-57.38	463.75	13.00	-44.38
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C(C)CC)=C1	REAL300012657297	1	62	0.0	-57.17	465.09	12.97	-44.20
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CC)(COC)C(=O)[O-])=C1	REAL300012657298	0	63	0.0	-78.85	472.83	10.22	-68.63
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CC)(COC)C(=O)[O-])=C1	REAL300012657298	1	63	0.0	-79.55	473.11	10.22	-69.33
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300012657299	0	60	0.0	-78.63	464.97	11.25	-67.38
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300012657299	1	60	0.0	-73.39	465.67	11.21	-62.18
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CCOC)C(=O)[O-])=C1	REAL300012657300	0	60	0.0	-72.65	467.45	8.72	-63.93
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CCOC)C(=O)[O-])=C1	REAL300012657300	1	60	0.0	-73.29	467.73	8.71	-64.58
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])=C1	REAL300012657301	0	65	0.0	-69.62	482.06	13.00	-56.62
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])=C1	REAL300012657301	1	65	0.0	-70.11	482.33	13.00	-57.11
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CC(F)F)C(=O)[O-])=C1	REAL300012657302	0	56	0.0	-72.00	446.13	9.94	-62.06
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CC(F)F)C(=O)[O-])=C1	REAL300012657302	1	56	0.0	-72.09	445.57	9.95	-62.14
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CCC)C(C)C(=O)[O-])=C1	REAL300012657303	0	62	0.0	-53.63	464.31	13.07	-40.56
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CCC)C(C)C(=O)[O-])=C1	REAL300012657303	1	62	0.0	-54.34	464.44	13.09	-41.25
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CCF)C(=O)[O-])=C1	REAL300012657304	0	56	0.0	-70.60	439.53	9.81	-60.79
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CCF)C(=O)[O-])=C1	REAL300012657304	1	56	0.0	-71.24	439.81	9.82	-61.42
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C)(CCF)C(=O)[O-])=C1	REAL300012657305	0	59	0.0	-70.19	444.51	10.17	-60.02
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C)(CCF)C(=O)[O-])=C1	REAL300012657305	1	59	0.0	-70.87	444.78	10.17	-60.70
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])=C1	REAL300012657306	0	57	0.0	-74.48	446.11	11.40	-63.08
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])=C1	REAL300012657306	1	57	0.0	-74.04	446.56	11.42	-62.62
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300012657307	0	56	0.0	-68.77	423.86	10.73	-58.04
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300012657307	1	56	0.0	-69.31	424.27	10.67	-58.64
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300012657308	0	58	0.0	-86.42	436.83	12.18	-74.24
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300012657308	1	58	0.0	-89.16	440.84	12.22	-76.94
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300012657309	0	62	0.0	-80.33	464.39	10.74	-69.59
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300012657309	1	62	0.0	-74.75	465.10	10.77	-63.98
C=C(Cl)CC(NC(=O)NCC1=CC=CC(C[N@@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657310	0	57	0.0	-73.49	463.05	10.71	-62.78
C=C(Cl)CC(NC(=O)NCC1=CC=CC(C[N@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657310	1	57	0.0	-74.08	463.32	10.71	-63.37
C=C(C)CC(NC(=O)NCC1=CC=CC(C[N@@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657311	0	60	0.0	-72.27	466.54	10.86	-61.41
C=C(C)CC(NC(=O)NCC1=CC=CC(C[N@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657311	1	60	0.0	-73.52	467.90	10.84	-62.68
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300012657312	0	61	0.0	-89.87	454.36	13.00	-76.87
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300012657312	1	61	0.0	-90.65	454.61	13.02	-77.63
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300012657313	0	57	0.0	-78.18	445.33	11.71	-66.47
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300012657313	1	57	0.0	-77.55	445.78	11.73	-65.82
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300012657314	0	57	0.0	-82.45	433.34	11.32	-71.13
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300012657314	1	57	0.0	-76.98	439.63	11.66	-65.32
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[N@@H+](CC)CCCC)=C2)C1	REAL300012657315	0	58	0.0	-79.59	446.49	11.63	-67.96
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC(C[N@H+](CC)CCCC)=C2)C1	REAL300012657315	1	58	0.0	-85.67	447.28	11.65	-74.02
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300012657316	0	62	0.0	-78.77	465.82	10.59	-68.18
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300012657316	1	62	0.0	-73.52	472.78	11.02	-62.50
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012657317	0	60	0.0	-74.43	469.31	11.75	-62.68
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012657317	1	60	0.0	-75.90	470.18	11.72	-64.18
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300012657318	0	60	0.0	-78.63	464.97	11.25	-67.38
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300012657318	1	60	0.0	-73.39	465.67	11.21	-62.18
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CSC)C(=O)[O-])=C1	REAL300012657319	0	57	0.0	-70.42	456.57	10.10	-60.32
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CSC)C(=O)[O-])=C1	REAL300012657319	1	57	0.0	-71.74	457.53	10.07	-61.67
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300012657320	0	57	0.0	-79.97	439.94	7.56	-72.41
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300012657320	1	57	0.0	-80.47	445.72	7.89	-72.58
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](CC)C(=O)[O-])=C1	REAL300012657321	0	56	0.0	-78.02	427.84	9.38	-68.64
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](CC)C(=O)[O-])=C1	REAL300012657321	1	56	0.0	-79.24	434.34	9.66	-69.58
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CC(C)CC)C(=O)[O-])=C1	REAL300012657322	0	65	0.0	-73.10	490.71	11.61	-61.49
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CC(C)CC)C(=O)[O-])=C1	REAL300012657322	1	65	0.0	-73.74	490.99	11.61	-62.13
C=CCCCC(NC(=O)NCC1=CC=CC(C[N@@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657323	0	63	0.0	-71.78	488.76	11.78	-60.00
C=CCCCC(NC(=O)NCC1=CC=CC(C[N@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657323	1	63	0.0	-73.13	489.86	11.76	-61.37
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCSCC2C(=O)[O-])=C1	REAL300012657324	0	58	0.0	-82.02	436.08	12.28	-69.74
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCSCC2C(=O)[O-])=C1	REAL300012657324	1	58	0.0	-83.91	443.82	12.60	-71.31
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300012657325	0	57	0.0	-80.63	433.14	11.23	-69.40
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300012657325	1	57	0.0	-81.52	433.88	11.25	-70.27
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CCC)C(=O)[O-])=C1	REAL300012657326	0	59	0.0	-72.19	454.44	10.43	-61.76
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CCC)C(=O)[O-])=C1	REAL300012657326	1	59	0.0	-73.49	455.55	10.42	-63.07
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012657327	0	59	0.0	-77.81	448.89	10.26	-67.55
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300012657327	1	59	0.0	-78.49	445.75	10.06	-68.43
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=C1	REAL300012657328	0	61	0.0	-90.20	454.41	13.14	-77.06
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=C1	REAL300012657328	1	61	0.0	-89.74	454.47	13.16	-76.58
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CC)C(C)(C)C(=O)[O-])=C1	REAL300012657329	0	62	0.0	-82.60	458.20	12.45	-70.15
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CC)C(C)(C)C(=O)[O-])=C1	REAL300012657329	1	62	0.0	-83.09	458.42	12.44	-70.65
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CCC)C(C)C(=O)[O-])=C1	REAL300012657330	0	62	0.0	-53.63	464.31	13.07	-40.56
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CCC)C(C)C(=O)[O-])=C1	REAL300012657330	1	62	0.0	-54.34	464.44	13.09	-41.25
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300012657331	0	59	0.0	-82.15	438.99	11.55	-70.60
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300012657331	1	59	0.0	-82.70	439.21	11.55	-71.15
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300012657332	0	57	0.0	-86.05	433.09	11.26	-74.79
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300012657332	1	57	0.0	-85.79	433.82	11.30	-74.49
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=C1	REAL300012657333	0	58	0.0	-87.79	445.71	7.74	-80.05
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])=C1	REAL300012657333	1	58	0.0	-89.14	445.09	7.87	-81.27
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](CCC)C(=O)[O-])=C1	REAL300012657334	0	59	0.0	-73.92	454.86	10.45	-63.47
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](CCC)C(=O)[O-])=C1	REAL300012657334	1	59	0.0	-78.54	455.56	10.43	-68.11
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012657335	0	60	0.0	-79.61	469.95	11.72	-67.89
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012657335	1	60	0.0	-76.17	470.52	11.73	-64.44
C=CCCC(NC(=O)NCC1=CC=CC(C[N@@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657336	0	60	0.0	-72.59	468.09	10.98	-61.61
C=CCCC(NC(=O)NCC1=CC=CC(C[N@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657336	1	60	0.0	-73.20	468.36	10.98	-62.22
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300012657337	0	60	0.0	-85.17	449.64	12.12	-73.05
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300012657337	1	60	0.0	-85.63	450.23	12.13	-73.50
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300012657338	0	59	0.0	-72.12	444.89	9.96	-62.16
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300012657338	1	59	0.0	-72.28	448.23	10.20	-62.08
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012657339	0	60	0.0	-74.40	469.30	11.75	-62.65
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300012657339	1	60	0.0	-75.24	469.59	11.75	-63.49
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300012657340	0	56	0.0	-68.77	423.86	10.73	-58.04
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300012657340	1	56	0.0	-69.31	424.27	10.67	-58.64
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](CCC)C(=O)[O-])=C1	REAL300012657341	0	59	0.0	-72.19	454.43	10.43	-61.76
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H](CCC)C(=O)[O-])=C1	REAL300012657341	1	59	0.0	-78.77	455.01	10.44	-68.33
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300012657342	0	59	0.0	-73.72	441.49	11.52	-62.20
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300012657342	1	59	0.0	-73.84	441.25	11.40	-62.44
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300012657343	0	63	0.0	-67.26	467.86	13.02	-54.24
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300012657343	1	63	0.0	-58.39	468.32	13.05	-45.34
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300012657344	0	59	0.0	-74.84	445.01	11.16	-63.68
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300012657344	1	59	0.0	-75.18	444.41	11.13	-64.05
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300012657345	0	62	0.0	-78.81	458.60	10.32	-68.49
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300012657345	1	62	0.0	-73.38	463.64	10.59	-62.79
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)[C@@H](CC)C(=O)[O-])=C1	REAL300012657346	0	59	0.0	-74.69	443.99	11.79	-62.90
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)[C@@H](CC)C(=O)[O-])=C1	REAL300012657346	1	59	0.0	-70.02	444.48	11.65	-58.37
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)=C1	REAL300012657347	0	61	0.0	-79.56	461.47	7.30	-72.26
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)=C1	REAL300012657347	1	61	0.0	-83.78	467.45	7.66	-76.12
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)=C1	REAL300012657348	0	63	0.0	-79.16	469.67	11.37	-67.79
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)=C1	REAL300012657348	1	63	0.0	-83.63	470.13	11.39	-72.24
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CCOC)C(=O)[O-])=C1	REAL300012657349	0	60	0.0	-72.65	467.45	8.72	-63.93
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CCOC)C(=O)[O-])=C1	REAL300012657349	1	60	0.0	-73.29	467.73	8.71	-64.58
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300012657350	0	63	0.0	-79.44	465.61	11.73	-67.71
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300012657350	1	63	0.0	-84.56	471.61	12.08	-72.48
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300012657351	0	60	0.0	-79.99	462.38	10.78	-69.21
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300012657351	1	60	0.0	-81.27	457.91	11.02	-70.25
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=C1	REAL300012657352	0	58	0.0	-91.26	443.10	8.04	-83.22
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])=C1	REAL300012657352	1	58	0.0	-91.82	443.81	8.05	-83.77
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOC2)=C1	REAL300012657353	0	61	0.0	-77.13	468.14	8.76	-68.37
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCOC2)=C1	REAL300012657353	1	61	0.0	-72.03	466.28	8.70	-63.33
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=C1	REAL300012657354	0	61	0.0	-84.06	454.25	12.72	-71.34
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])=C1	REAL300012657354	1	61	0.0	-84.77	454.95	12.70	-72.07
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)=C1	REAL300012657355	0	59	0.0	-84.38	446.01	10.45	-73.93
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)=C1	REAL300012657355	1	59	0.0	-84.51	447.32	10.39	-74.12
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CC(C)CCC2C(=O)[O-])=C1	REAL300012657356	0	63	0.0	-85.86	457.55	13.07	-72.79
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CC(C)CCC2C(=O)[O-])=C1	REAL300012657356	1	63	0.0	-87.38	465.22	13.50	-73.88
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300012657357	0	60	0.0	-75.51	453.74	10.51	-65.00
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300012657357	1	60	0.0	-79.41	453.72	10.62	-68.79
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300012657358	0	60	0.0	-75.51	453.74	10.51	-65.00
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCC2)=C1	REAL300012657358	1	60	0.0	-79.41	453.72	10.62	-68.79
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300012657359	0	60	0.0	-86.53	448.19	11.54	-74.99
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)C2C(=O)[O-])=C1	REAL300012657359	1	60	0.0	-86.39	449.00	11.73	-74.66
C=CCC(NC(=O)NCC1=CC=CC(C[N@@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657360	0	57	0.0	-72.59	447.10	10.10	-62.49
C=CCC(NC(=O)NCC1=CC=CC(C[N@H+](CC)CCCC)=C1)C(=O)[O-]	REAL300012657360	1	57	0.0	-73.32	447.37	10.10	-63.22
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=C1	REAL300012657361	0	61	0.0	-59.27	455.76	12.55	-46.72
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])=C1	REAL300012657361	1	61	0.0	-58.43	456.51	12.57	-45.86
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(OC)C2)=C1	REAL300012657362	0	61	0.0	-79.27	460.80	8.90	-70.37
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(OC)C2)=C1	REAL300012657362	1	61	0.0	-85.95	468.64	9.34	-76.61
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)=C1	REAL300012657363	0	57	0.0	-76.78	437.64	10.06	-66.72
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)=C1	REAL300012657363	1	57	0.0	-81.44	443.61	10.40	-71.04
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)=C1	REAL300012657364	0	61	0.0	-74.82	466.25	9.22	-65.60
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)=C1	REAL300012657364	1	61	0.0	-79.77	467.06	9.24	-70.53
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCCC2(CC)C(=O)[O-])=C1	REAL300012657365	0	63	0.0	-80.11	458.57	12.91	-67.20
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCCC2(CC)C(=O)[O-])=C1	REAL300012657365	1	63	0.0	-81.09	463.72	12.88	-68.21
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])COC2)=C1	REAL300012657366	0	55	0.0	-74.03	425.53	7.39	-66.64
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])COC2)=C1	REAL300012657366	1	55	0.0	-76.86	426.00	7.41	-69.45
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300012657367	0	62	0.0	-79.60	452.84	10.66	-68.94
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)=C1	REAL300012657367	1	62	0.0	-80.02	453.11	10.66	-69.36
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012657368	0	58	0.0	-86.19	439.59	12.68	-73.51
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012657368	1	58	0.0	-89.96	440.31	12.75	-77.21
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012657369	0	61	0.0	-82.40	455.83	12.33	-70.07
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300012657369	1	61	0.0	-82.31	456.28	12.34	-69.97
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300012657370	0	62	0.0	-69.63	459.33	12.55	-57.08
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300012657370	1	62	0.0	-70.48	459.75	12.54	-57.94
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300012657371	0	57	0.0	-82.45	433.34	11.32	-71.13
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300012657371	1	57	0.0	-76.98	439.63	11.66	-65.32
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])=C1	REAL300012657372	0	59	0.0	-56.95	448.62	12.38	-44.57
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])=C1	REAL300012657372	1	59	0.0	-57.53	448.90	12.38	-45.15
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])=C1	REAL300012657373	0	63	0.0	-80.80	464.85	12.53	-68.27
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])=C1	REAL300012657373	1	63	0.0	-81.48	465.13	12.53	-68.95
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CCC(C)C)C(=O)[O-])=C1	REAL300012657374	0	65	0.0	-72.95	494.34	11.72	-61.23
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CCC(C)C)C(=O)[O-])=C1	REAL300012657374	1	65	0.0	-73.51	494.62	11.71	-61.80
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)=C1	REAL300012657375	0	61	0.0	-85.52	456.09	11.58	-73.94
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)=C1	REAL300012657375	1	61	0.0	-79.28	456.55	11.60	-67.68
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCC2)=C1	REAL300012657376	0	63	0.0	-79.79	464.55	10.80	-68.99
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C(=O)[O-])C2CCCC2)=C1	REAL300012657376	1	63	0.0	-80.29	470.26	11.18	-69.11
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300012657377	0	60	0.0	-74.05	463.77	8.90	-65.15
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300012657377	1	60	0.0	-80.67	464.35	8.91	-71.76
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300012657378	0	60	0.0	-84.99	456.78	11.40	-73.59
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)=C1	REAL300012657378	1	60	0.0	-85.56	457.33	11.40	-74.16
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])=C1	REAL300012657379	0	63	0.0	-58.40	472.22	12.33	-46.07
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])=C1	REAL300012657379	1	63	0.0	-66.62	472.63	12.37	-54.25
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])=C1	REAL300012657380	0	57	0.0	-88.16	444.01	11.69	-76.47
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])=C1	REAL300012657380	1	57	0.0	-82.37	444.49	11.71	-70.66
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CCCOC)C(=O)[O-])=C1	REAL300012657381	0	63	0.0	-72.15	488.12	9.50	-62.65
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CCCOC)C(=O)[O-])=C1	REAL300012657381	1	63	0.0	-73.44	489.23	9.49	-63.95
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)C(CCC)C(=O)[O-])=C1	REAL300012657382	0	62	0.0	-69.69	465.70	12.43	-57.26
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)C(CCC)C(=O)[O-])=C1	REAL300012657382	1	62	0.0	-70.19	465.97	12.43	-57.76
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(COCC)C(=O)[O-])=C1	REAL300012657383	0	60	0.0	-74.17	467.00	8.86	-65.31
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(COCC)C(=O)[O-])=C1	REAL300012657383	1	60	0.0	-75.36	467.77	8.88	-66.48
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])=C1	REAL300012657384	0	65	0.0	-79.09	484.54	12.06	-67.03
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])=C1	REAL300012657384	1	65	0.0	-79.52	484.83	12.06	-67.46
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=C1	REAL300012657385	0	61	0.0	-85.06	448.49	10.79	-74.27
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])=C1	REAL300012657385	1	61	0.0	-84.40	454.54	11.14	-73.26
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300012657386	0	57	0.0	-73.12	454.66	10.15	-62.97
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300012657386	1	57	0.0	-73.10	454.05	10.18	-62.92
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])=C1	REAL300012657387	0	56	0.0	-69.00	418.04	10.33	-58.67
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])=C1	REAL300012657387	1	56	0.0	-73.09	425.08	10.73	-62.36
CC1=CN2C=C(CNC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])N=C2C=C1	REAL300012657566	0	56	0.0	-67.07	439.55	8.57	-58.50
CC(C)C[C@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012657948	0	50	0.0	-71.15	400.99	8.70	-62.45
C=CCOCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012657949	0	49	0.0	-70.97	406.16	7.97	-63.00
C=CC(C)C(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012657950	0	48	0.0	-72.76	388.33	8.15	-64.61
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=C(Cl)C=C1	REAL300012657951	0	52	0.0	-72.36	412.89	7.34	-65.02
COC1CCN(C(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012657952	0	52	0.0	-80.35	403.27	9.33	-71.02
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CC=C(Cl)C=C1	REAL300012657953	0	52	0.0	-73.51	406.73	7.18	-66.33
CC1CCN(C(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012657954	0	51	0.0	-79.64	387.34	10.59	-69.05
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012657955	0	47	0.0	-46.57	378.28	10.72	-35.85
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C1CCC1	REAL300012657956	0	51	0.0	-50.03	388.35	10.81	-39.22
CCCN(C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012657957	0	54	0.0	-78.63	420.01	11.56	-67.07
CCCN(C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012657958	0	53	0.0	-78.23	404.96	12.30	-65.93
CC(C)C(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012657959	0	47	0.0	-74.51	370.99	8.59	-65.92
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012657960	0	48	0.0	-80.54	373.17	10.49	-70.05
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012657961	0	46	0.0	-78.21	373.27	10.37	-67.84
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=C(Cl)C=C1	REAL300012657962	0	51	0.0	-77.51	392.27	9.50	-68.01
C[NH+](C)C(CNC(=O)N1CCCC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012657963	0	45	0.0	-76.54	358.95	10.19	-66.35
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=C(Cl)C=C1	REAL300012657964	0	48	0.0	-78.65	377.61	8.37	-70.28
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C1=CC=C(Cl)C=C1	REAL300012657965	0	54	0.0	-78.31	397.94	10.16	-68.15
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012657966	0	51	0.0	-77.66	417.98	11.19	-66.47
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300012657967	0	51	0.0	-46.22	417.09	13.08	-33.14
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300012657968	0	48	0.0	-75.38	398.81	9.44	-65.94
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300012657969	0	48	0.0	-75.84	399.02	9.36	-66.48
CCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012657970	0	44	0.0	-69.29	358.71	8.19	-61.10
CC(C)C(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012657971	0	47	0.0	-74.51	370.99	8.59	-65.92
CN(CC(=O)[O-])C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012657972	0	41	0.0	-74.57	335.67	9.01	-65.56
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012657973	0	51	0.0	-77.66	417.98	11.19	-66.47
CC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012657974	0	41	0.0	-64.10	337.71	7.16	-56.94
CCC(C)C(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012657975	0	50	0.0	-74.70	392.66	9.40	-65.30
CN(CC(=O)[O-])C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012657976	0	41	0.0	-74.57	335.67	9.01	-65.56
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012657977	0	48	0.0	-80.54	373.17	10.49	-70.05
CCCC(C)(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012657978	0	50	0.0	-74.60	385.18	9.30	-65.30
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012657979	0	47	0.0	-47.69	366.08	10.21	-37.48
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=C(Cl)C=C1	REAL300012657980	0	45	0.0	-57.27	365.18	9.65	-47.62
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012657981	0	45	0.0	-46.52	369.59	10.52	-36.00
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012657982	0	50	0.0	-46.44	392.92	11.24	-35.20
C[NH+](C)C(CNC(=O)NC(C)(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012657983	0	44	0.0	-61.62	350.29	7.56	-54.06
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=C(Cl)C=C1	REAL300012657984	0	48	0.0	-75.03	376.51	8.40	-66.63
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1=CC=C(Cl)C=C1	REAL300012657985	0	45	0.0	-73.82	390.42	8.51	-65.31
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=C(Cl)C=C1	REAL300012657986	0	51	0.0	-77.51	392.27	9.50	-68.01
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012657987	0	47	0.0	-47.69	366.08	10.21	-37.48
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012657988	0	47	0.0	-46.57	378.28	10.72	-35.85
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012657989	0	44	0.0	-75.23	353.19	9.82	-65.41
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012657990	0	50	0.0	-72.28	394.10	8.24	-64.04
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=C(Cl)C=C1	REAL300012657991	0	48	0.0	-78.65	377.61	8.37	-70.28
CCC(C)(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012657992	0	47	0.0	-74.42	363.69	8.54	-65.88
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300012657993	0	51	0.0	-75.10	406.70	10.15	-64.95
C[C@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012657994	0	41	0.0	-63.97	337.54	7.18	-56.79
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012657995	0	44	0.0	-75.23	353.19	9.82	-65.41
CCCCCCC(C)(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012657996	0	59	0.0	-69.81	449.67	11.63	-58.18
C[C@@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012657997	0	41	0.0	-67.34	341.04	6.26	-61.08
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300012657998	0	42	0.0	-78.91	347.52	7.50	-71.41
C[NH+](C)C(CNC(=O)N1CCOCC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012657999	0	46	0.0	-77.74	364.21	7.80	-69.94
CN(C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300012658000	0	54	0.0	-79.77	401.80	10.83	-68.94
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=C(Cl)C=C1	REAL300012658001	0	45	0.0	-70.44	369.79	7.76	-62.68
CN(C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012658002	0	51	0.0	-71.25	405.83	10.93	-60.32
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658003	0	48	0.0	-47.12	388.16	9.15	-37.97
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658004	0	45	0.0	-77.68	362.71	8.89	-68.79
C[NH+](C)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658005	0	48	0.0	-81.05	372.93	10.27	-70.78
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658006	0	44	0.0	-72.87	352.85	8.18	-64.69
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658007	0	45	0.0	-77.15	362.11	9.19	-67.96
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC1)C1=CC=C(Cl)C=C1	REAL300012658008	0	45	0.0	-75.73	364.31	8.01	-67.72
C=CCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658009	0	45	0.0	-68.64	372.02	8.64	-60.00
C[NH+](C)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658010	0	48	0.0	-79.83	378.76	9.73	-70.10
C[NH+](C)C(CNC(=O)N1CCCCCC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658011	0	51	0.0	-76.17	386.23	11.34	-64.83
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=C(Cl)C=C1	REAL300012658012	0	45	0.0	-70.44	369.79	7.76	-62.68
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658013	0	44	0.0	-70.81	350.58	9.24	-61.57
CCCCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658014	0	50	0.0	-69.25	401.71	9.73	-59.52
C[NH+](C)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658015	0	48	0.0	-76.79	379.16	9.75	-67.04
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=C(Cl)C=C1	REAL300012658016	0	51	0.0	-63.50	397.14	10.65	-52.85
COCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658017	0	45	0.0	-71.02	371.40	6.42	-64.60
CCCCCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658018	0	53	0.0	-70.15	424.04	10.51	-59.64
CCC1CCC(NC(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012658019	0	57	0.0	-77.49	431.34	10.74	-66.75
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=C(Cl)C=C1	REAL300012658020	0	52	0.0	-63.75	405.66	8.99	-54.76
CN(C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300012658021	0	51	0.0	-75.72	388.15	10.09	-65.63
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C1CC1	REAL300012658022	0	48	0.0	-62.76	379.19	9.72	-53.04
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C1CC1	REAL300012658023	0	51	0.0	-66.65	400.63	10.99	-55.66
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1=CC=C(Cl)C=C1	REAL300012658024	0	48	0.0	-82.17	403.98	9.43	-72.74
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658025	0	57	0.0	-75.96	443.20	10.49	-65.47
CC1=CC=C(C(NC(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012658026	0	51	0.0	-72.50	420.19	10.11	-62.39
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658027	0	44	0.0	-64.99	375.48	8.87	-56.12
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)C1=CC=C(Cl)C=C1	REAL300012658028	0	49	0.0	-71.56	390.39	9.20	-62.36
COCC(C)(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658029	0	48	0.0	-79.11	381.93	7.83	-71.28
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658030	0	51	0.0	-68.01	401.30	9.75	-58.26
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658031	0	50	0.0	-46.44	392.92	11.24	-35.20
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=C(Cl)C=C1	REAL300012658032	0	45	0.0	-57.27	365.18	9.65	-47.62
C[NH+](C)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658033	0	47	0.0	-47.39	396.41	11.11	-36.28
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CC=C(Cl)C=C1	REAL300012658034	0	46	0.0	-71.18	368.72	5.81	-65.37
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=C(Cl)C=C1	REAL300012658035	0	54	0.0	-77.45	413.88	10.47	-66.98
CN(C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300012658036	0	55	0.0	-74.89	431.98	10.08	-64.81
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)C1=CC=C(Cl)C=C1	REAL300012658037	0	49	0.0	-74.32	384.12	7.01	-67.31
C=CCCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658038	0	48	0.0	-69.98	393.86	9.51	-60.47
C[NH+](C)C(CNC(=O)NC(CF)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658039	0	41	0.0	-59.73	341.16	7.19	-52.54
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658040	0	44	0.0	-70.81	350.58	9.24	-61.57
CCC(CC)(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658041	0	50	0.0	-76.16	380.07	9.44	-66.72
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658042	0	50	0.0	-45.68	387.50	11.30	-34.38
CCC(COC)(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658043	0	51	0.0	-75.62	398.60	8.73	-66.89
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658044	0	54	0.0	-68.48	421.57	10.50	-57.98
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658045	0	48	0.0	-69.01	390.32	9.74	-59.27
COCCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658046	0	48	0.0	-69.63	392.38	7.25	-62.38
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658047	0	53	0.0	-68.53	408.78	11.56	-56.97
C[NH+](C)C(CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658048	0	44	0.0	-70.05	371.06	8.48	-61.57
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658049	0	54	0.0	-82.08	412.54	11.57	-70.51
CCCN(C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012658050	0	50	0.0	-49.26	388.03	10.81	-38.45
C[NH+](C)C(CNC(=O)NC(CCF)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658051	0	44	0.0	-68.61	365.30	8.34	-60.27
COC1(CC(NC(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012658052	0	55	0.0	-74.28	433.11	8.64	-65.64
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=C(Cl)C=C1	REAL300012658053	0	52	0.0	-63.75	405.66	8.99	-54.76
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C1=CC=C(Cl)C=C1	REAL300012658054	0	54	0.0	-63.83	414.55	11.36	-52.47
C[C@H]1CC[C@@](NC(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012658055	0	54	0.0	-77.74	406.07	9.87	-67.87
C[NH+](C)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658056	0	47	0.0	-70.85	373.49	7.78	-63.07
C[NH+](C)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658057	0	49	0.0	-63.80	395.55	9.87	-53.93
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658058	0	45	0.0	-73.41	377.03	8.95	-64.46
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658059	0	44	0.0	-68.89	353.90	8.33	-60.56
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1=CC=C(Cl)C=C1	REAL300012658060	0	57	0.0	-74.08	420.06	10.39	-63.69
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC=C(Cl)C=C1	REAL300012658061	0	46	0.0	-83.06	368.92	9.83	-73.23
COC1CN(C(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012658062	0	52	0.0	-74.79	408.22	9.66	-65.13
C[NH+](C)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658063	0	55	0.0	-71.03	430.04	8.80	-62.23
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC=C(Cl)C=C1	REAL300012658064	0	50	0.0	-72.45	393.66	8.39	-64.06
C=C(Cl)CC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658065	0	45	0.0	-71.74	388.81	9.23	-62.51
C=C(C)CC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658066	0	48	0.0	-69.31	392.30	9.38	-59.93
C[NH+](C)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CC=C(Cl)C=C1	REAL300012658067	0	49	0.0	-85.92	384.04	10.65	-75.27
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658068	0	45	0.0	-74.83	374.92	9.38	-65.45
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658069	0	45	0.0	-75.11	368.57	9.28	-65.83
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)C1	REAL300012658070	0	46	0.0	-82.34	372.42	10.17	-72.17
C[NH+](C)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658071	0	55	0.0	-72.83	434.33	8.09	-64.74
CC(C)C[C@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658072	0	50	0.0	-71.15	400.99	8.70	-62.45
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=C(Cl)C=C1	REAL300012658073	0	52	0.0	-72.36	412.89	7.34	-65.02
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300012658074	0	48	0.0	-75.84	399.02	9.36	-66.48
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658075	0	48	0.0	-69.01	390.32	9.74	-59.27
C[NH+](C)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658076	0	47	0.0	-75.66	408.04	7.43	-68.23
CC(C)CCCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658077	0	56	0.0	-70.24	441.61	11.02	-59.22
C[NH+](C)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658078	0	52	0.0	-78.98	419.05	7.65	-71.33
CSCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658079	0	45	0.0	-66.32	382.34	8.62	-57.70
COC[C@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658080	0	45	0.0	-72.98	374.73	5.53	-67.45
CC[C@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658081	0	44	0.0	-75.21	359.53	8.20	-67.01
CCC(C)CC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658082	0	53	0.0	-70.41	416.48	10.13	-60.28
C=CCCCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658083	0	51	0.0	-68.69	414.52	10.30	-58.39
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658084	0	46	0.0	-78.21	373.27	10.37	-67.84
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300012658085	0	51	0.0	-75.10	406.70	10.15	-64.95
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658086	0	45	0.0	-77.68	362.71	8.89	-68.79
CCCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658087	0	47	0.0	-70.22	381.04	8.95	-61.27
CC(C)[C@@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658088	0	47	0.0	-75.42	374.98	7.61	-67.81
C[NH+](C)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658089	0	49	0.0	-82.58	382.76	10.80	-71.78
CCN(C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012658090	0	50	0.0	-78.97	379.25	10.83	-68.14
CCCN(C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012658091	0	50	0.0	-49.26	388.03	10.81	-38.45
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=C(Cl)C=C1	REAL300012658092	0	44	0.0	-71.30	377.20	9.40	-61.90
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=C(Cl)C=C1	REAL300012658093	0	44	0.0	-71.30	377.20	9.40	-61.90
CN(C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012658094	0	47	0.0	-78.63	364.70	10.09	-68.54
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658095	0	45	0.0	-77.15	362.11	9.19	-67.96
C[NH+](C)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658096	0	46	0.0	-79.71	373.95	5.51	-74.20
CCC[C@@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658097	0	47	0.0	-75.17	384.36	8.04	-67.13
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300012658098	0	48	0.0	-75.38	398.81	9.44	-65.94
C=CCCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658099	0	48	0.0	-69.98	393.86	9.51	-60.47
C[NH+](C)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658100	0	47	0.0	-77.50	407.57	7.36	-70.14
CN1CC(C(=O)[O-])N(C(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)CC1=O	REAL300012658101	0	49	0.0	-72.80	390.07	8.46	-64.34
C[NH+](C)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658102	0	48	0.0	-79.81	378.73	9.74	-70.07
CC(C)[C@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658103	0	47	0.0	-75.40	372.22	8.53	-66.87
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300012658104	0	48	0.0	-70.31	395.16	10.28	-60.03
C[NH+](C)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658105	0	51	0.0	-76.37	408.46	8.70	-67.67
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658106	0	44	0.0	-68.89	353.90	8.33	-60.56
CCC[C@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658107	0	47	0.0	-70.92	384.13	8.11	-62.81
CCN(C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012658108	0	47	0.0	-72.10	362.98	9.86	-62.24
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=C(Cl)C=C1	REAL300012658109	0	51	0.0	-63.50	397.14	10.65	-52.85
CC(CN(C)C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658110	0	47	0.0	-77.28	370.78	9.67	-67.61
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658111	0	50	0.0	-72.28	394.10	8.24	-64.04
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658112	0	47	0.0	-69.26	373.83	9.30	-59.96
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CC=C(Cl)C=C1	REAL300012658113	0	49	0.0	-83.41	394.86	5.18	-78.23
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658114	0	57	0.0	-73.98	446.09	8.62	-65.36
CC1CCC(NC(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012658115	0	51	0.0	-74.80	399.25	9.03	-65.77
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1=CC=C(Cl)C=C1	REAL300012658116	0	54	0.0	-78.03	406.81	9.64	-68.39
COCCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658117	0	48	0.0	-69.63	392.38	7.25	-62.38
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CC=C(Cl)C=C1	REAL300012658118	0	51	0.0	-79.48	400.53	9.70	-69.78
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=C(Cl)C=C1	REAL300012658119	0	48	0.0	-77.66	386.47	8.64	-69.02
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658120	0	57	0.0	-76.98	446.67	8.57	-68.41
C[NH+](C)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658121	0	46	0.0	-83.85	373.92	5.68	-78.17
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CC=C(Cl)C=C1	REAL300012658122	0	49	0.0	-75.63	389.64	6.32	-69.31
C[NH+](C)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658123	0	49	0.0	-86.90	380.35	11.22	-75.68
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CC=C(Cl)C=C1	REAL300012658124	0	47	0.0	-78.36	376.34	8.03	-70.33
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)C1	REAL300012658125	0	51	0.0	-79.90	393.85	11.08	-68.82
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658126	0	55	0.0	-71.11	435.34	10.49	-60.62
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=C(Cl)C=C1	REAL300012658127	0	48	0.0	-75.24	382.53	8.23	-67.01
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=C(Cl)C=C1	REAL300012658128	0	54	0.0	-77.45	413.88	10.47	-66.98
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=C(Cl)C=C1	REAL300012658129	0	48	0.0	-75.24	382.53	8.23	-67.01
CC1CCN(C(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)C1C(=O)[O-]	REAL300012658130	0	48	0.0	-82.14	383.30	9.51	-72.63
C=CCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658131	0	45	0.0	-68.64	372.02	8.64	-60.00
C[NH+](C)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658132	0	55	0.0	-74.71	435.10	9.01	-65.70
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1=CC=C(Cl)C=C1	REAL300012658133	0	55	0.0	-52.50	408.98	11.04	-41.46
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1=CC=C(Cl)C=C1	REAL300012658134	0	55	0.0	-73.93	412.95	8.33	-65.60
C[NH+](C)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658135	0	49	0.0	-55.25	384.89	10.26	-44.99
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658136	0	55	0.0	-71.11	435.34	10.49	-60.62
COC1CC(NC(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012658137	0	49	0.0	-82.96	394.78	7.95	-75.01
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1=CC=C(Cl)C=C1	REAL300012658138	0	45	0.0	-76.58	372.32	8.02	-68.56
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012658139	0	49	0.0	-74.66	396.18	6.87	-67.79
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658140	0	51	0.0	-79.21	391.90	11.00	-68.21
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658141	0	44	0.0	-64.99	375.48	8.87	-56.12
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658142	0	52	0.0	-75.13	417.75	7.35	-67.78
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])COC1)C1=CC=C(Cl)C=C1	REAL300012658143	0	43	0.0	-72.07	354.71	5.04	-67.03
C[NH+](C)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658144	0	48	0.0	-71.24	412.34	9.37	-61.87
CC(C)C(C)(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658145	0	50	0.0	-75.45	378.60	9.18	-66.27
C[NH+](C)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658146	0	46	0.0	-83.59	365.91	11.14	-72.45
C[NH+](C)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658147	0	49	0.0	-82.21	385.07	9.74	-72.47
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658148	0	57	0.0	-75.96	443.20	10.49	-65.47
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1=CC=C(Cl)C=C1	REAL300012658149	0	55	0.0	-77.66	425.15	9.94	-67.72
C[NH+](C)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658150	0	57	0.0	-75.43	442.95	10.55	-64.88
C[NH+](C)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658151	0	57	0.0	-71.29	442.95	10.55	-60.74
C[NH+](C)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658152	0	55	0.0	-54.61	424.29	11.11	-43.50
C[NH+](C)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658153	0	55	0.0	-84.67	418.66	12.08	-72.59
C=CCSCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658154	0	49	0.0	-67.41	417.29	10.05	-57.36
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658155	0	50	0.0	-78.72	381.70	11.52	-67.20
COC1(C(NC(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012658156	0	52	0.0	-68.71	410.32	6.94	-61.77
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1=CC=C(Cl)C=C1	REAL300012658157	0	48	0.0	-74.45	391.43	9.72	-64.73
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658159	0	45	0.0	-75.11	368.57	9.28	-65.83
C[NH+](C)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658160	0	47	0.0	-58.40	377.98	10.02	-48.38
C[NH+](C)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658161	0	51	0.0	-83.95	395.10	10.83	-73.12
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658162	0	55	0.0	-79.63	418.47	12.05	-67.58
CC(C)CCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658163	0	53	0.0	-70.40	420.11	10.25	-60.15
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658164	0	52	0.0	-55.09	409.19	10.71	-44.38
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658165	0	52	0.0	-75.13	417.75	7.35	-67.78
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)C1	REAL300012658166	0	49	0.0	-77.66	404.73	10.38	-67.28
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1=CC=C(Cl)C=C1	REAL300012658167	0	52	0.0	-77.00	400.94	9.87	-67.13
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CC=C(Cl)C=C1	REAL300012658168	0	49	0.0	-75.05	385.36	9.22	-65.83
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1=CC=C(Cl)C=C1	REAL300012658169	0	52	0.0	-73.14	406.52	9.63	-63.51
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CC=C(Cl)C=C1	REAL300012658170	0	51	0.0	-75.80	404.65	9.01	-66.79
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658171	0	48	0.0	-72.68	392.87	6.52	-66.16
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658172	0	48	0.0	-77.64	386.30	9.02	-68.62
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300012658173	0	51	0.0	-46.22	417.09	13.08	-33.14
C[NH+](C)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658174	0	51	0.0	-56.51	403.51	9.85	-46.66
C[NH+](C)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658175	0	48	0.0	-77.92	384.33	10.40	-67.52
C[NH+](C)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658176	0	45	0.0	-81.30	370.63	10.32	-70.98
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658177	0	48	0.0	-75.12	412.12	9.23	-65.89
C[NH+](C)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658178	0	48	0.0	-70.56	388.08	10.85	-59.71
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658179	0	48	0.0	-75.12	412.12	9.23	-65.89
C[NH+](C)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658180	0	52	0.0	-79.78	400.58	10.56	-69.22
COCCCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658181	0	51	0.0	-69.76	414.71	8.02	-61.74
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658182	0	50	0.0	-67.88	391.48	10.94	-56.94
CCOCC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012658183	0	48	0.0	-71.25	393.26	7.40	-63.85
C[NH+](C)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658184	0	53	0.0	-75.95	409.58	10.64	-65.31
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C1=CC=C(Cl)C=C1	REAL300012658185	0	52	0.0	-73.58	413.63	7.84	-65.74
C[C@H]1OCCN(C(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012658186	0	49	0.0	-78.16	383.96	8.71	-69.45
C[NH+](C)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012658187	0	45	0.0	-72.60	380.39	8.69	-63.91
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1=CC=C(Cl)C=C1	REAL300012658188	0	48	0.0	-65.67	395.86	9.98	-55.69
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300012658189	0	44	0.0	-72.87	352.85	8.18	-64.69
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(Cl)C=C2)[NH+](C)C)C1	REAL300012658190	0	52	0.0	-76.45	415.79	9.23	-67.22
CC(C)C[C@H](NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658414	0	58	0.0	-84.20	445.60	8.77	-75.43
C=CCOCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658415	0	57	0.0	-82.85	453.02	7.31	-75.54
C=CC(C)C(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658416	0	56	0.0	-81.74	435.37	8.57	-73.17
CC1CCN(C(=O)NCC2=CC=C(OC3CC[NH+](C)CC3)C=C2)C(C(=O)[O-])C1	REAL300012658417	0	59	0.0	-93.36	431.09	10.85	-82.51
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658418	0	55	0.0	-73.26	425.97	10.05	-63.21
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C1CCC1	REAL300012658419	0	59	0.0	-71.66	438.77	10.43	-61.23
CCCN(C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(CC)C(=O)[O-]	REAL300012658420	0	61	0.0	-76.39	452.75	11.02	-65.37
CC(C)C(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658421	0	55	0.0	-80.49	417.98	7.88	-72.61
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300012658422	0	56	0.0	-93.47	416.70	10.60	-82.87
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=C2)CC1	REAL300012658423	0	54	0.0	-89.48	417.24	10.56	-78.92
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=C2)CC1	REAL300012658424	0	59	0.0	-88.80	436.06	9.69	-79.11
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=C2)CC1	REAL300012658425	0	53	0.0	-90.70	405.29	9.39	-81.31
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012658426	0	56	0.0	-89.44	420.96	8.55	-80.89
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCC(=O)[O-])C=C2)CC1	REAL300012658427	0	46	0.0	-70.33	363.92	5.62	-64.71
C[NH+]1CCC(OC2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012658428	0	56	0.0	-83.11	442.72	9.54	-73.57
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012658429	0	56	0.0	-85.35	442.07	9.57	-75.78
CCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658430	0	52	0.0	-80.62	406.54	7.48	-73.14
CC(C)C(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658431	0	55	0.0	-80.49	417.98	7.88	-72.61
CN(CC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658432	0	49	0.0	-79.74	382.66	8.31	-71.43
CC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658433	0	49	0.0	-71.59	384.55	6.48	-65.11
CCC(C)C(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658434	0	58	0.0	-85.10	441.52	8.68	-76.42
CN(CC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658435	0	49	0.0	-79.74	382.66	8.31	-71.43
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300012658436	0	56	0.0	-93.47	416.70	10.60	-82.87
CCCC(C)(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658437	0	58	0.0	-82.23	432.18	8.60	-73.63
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658438	0	55	0.0	-71.93	415.56	9.60	-62.33
C[NH+]1CCC(OC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300012658439	0	53	0.0	-68.27	408.78	9.75	-58.52
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658440	0	53	0.0	-73.07	417.28	9.86	-63.21
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658441	0	58	0.0	-73.40	440.62	10.57	-62.83
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C2)CC1	REAL300012658442	0	52	0.0	-69.35	397.29	6.85	-62.50
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012658443	0	56	0.0	-83.82	420.17	8.60	-75.22
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=C2)CC1	REAL300012658444	0	59	0.0	-88.80	436.06	9.69	-79.11
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658445	0	55	0.0	-71.93	415.56	9.60	-62.33
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658446	0	55	0.0	-73.26	425.97	10.05	-63.21
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658447	0	52	0.0	-79.88	404.47	9.29	-70.59
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658448	0	58	0.0	-84.82	437.78	8.44	-76.38
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012658449	0	56	0.0	-89.44	420.96	8.55	-80.89
CCC(C)(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658450	0	55	0.0	-84.88	410.67	7.85	-77.03
C[C@H](NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658451	0	49	0.0	-70.79	384.71	6.46	-64.33
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658452	0	52	0.0	-79.88	404.47	9.29	-70.59
C[C@@H](NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658453	0	49	0.0	-70.49	384.71	6.46	-64.03
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=C2)CC1	REAL300012658454	0	50	0.0	-89.84	390.86	7.67	-82.17
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=C2)CC1	REAL300012658455	0	54	0.0	-89.62	408.45	8.14	-81.48
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012658456	0	53	0.0	-81.46	416.30	8.02	-73.44
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658457	0	56	0.0	-73.82	435.84	8.48	-65.34
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012658458	0	53	0.0	-91.01	406.09	9.08	-81.93
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012658459	0	56	0.0	-93.18	416.94	10.51	-82.67
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658460	0	52	0.0	-75.33	397.06	8.44	-66.89
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012658461	0	53	0.0	-87.50	405.35	9.39	-78.11
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300012658462	0	53	0.0	-89.47	407.66	8.19	-81.28
C=CCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658463	0	53	0.0	-79.82	419.57	7.99	-71.83
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=C2)CC1	REAL300012658464	0	56	0.0	-90.92	422.37	9.95	-80.97
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCCCCC3C(=O)[O-])C=C2)CC1	REAL300012658465	0	59	0.0	-92.28	431.88	11.29	-80.99
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012658466	0	53	0.0	-81.46	416.30	8.02	-73.44
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658467	0	52	0.0	-78.31	396.49	8.49	-69.82
CCCCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658468	0	58	0.0	-80.50	449.54	9.03	-71.47
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)CC1	REAL300012658469	0	56	0.0	-90.89	422.48	9.92	-80.97
C[NH+]1CCC(OC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012658470	0	59	0.0	-67.53	440.82	10.87	-56.66
COCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658471	0	53	0.0	-82.17	418.40	5.72	-76.45
CCCCCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658472	0	61	0.0	-80.11	470.79	9.87	-70.24
CN(C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C1(C(=O)[O-])CCCC1	REAL300012658473	0	59	0.0	-91.61	432.04	10.30	-81.31
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C1CC1	REAL300012658474	0	56	0.0	-67.99	423.49	9.76	-58.23
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C1CC1	REAL300012658475	0	59	0.0	-68.82	444.30	11.04	-57.78
COCC(C)(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658476	0	56	0.0	-88.94	428.92	7.14	-81.80
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658477	0	59	0.0	-77.05	448.92	8.79	-68.26
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658478	0	58	0.0	-73.40	440.62	10.57	-62.83
C[NH+]1CCC(OC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300012658479	0	53	0.0	-68.27	408.78	9.75	-58.52
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300012658480	0	54	0.0	-83.97	412.19	5.98	-77.99
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOCC3)C=C2)CC1	REAL300012658481	0	57	0.0	-87.44	427.48	7.20	-80.24
C=CCCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658482	0	56	0.0	-80.26	440.85	8.81	-71.45
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C2)CC1	REAL300012658483	0	49	0.0	-69.40	388.64	6.45	-62.95
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658484	0	52	0.0	-78.31	396.49	8.49	-69.82
CCC(CC)(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658485	0	58	0.0	-86.37	427.35	8.74	-77.63
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658486	0	58	0.0	-72.00	437.78	10.85	-61.15
CCC(COC)(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658487	0	59	0.0	-87.35	445.36	8.05	-79.30
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300012658488	0	56	0.0	-80.31	438.42	8.98	-71.33
COCCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658489	0	56	0.0	-79.88	439.97	6.60	-73.28
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658490	0	61	0.0	-77.21	457.00	10.86	-66.35
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C2)CC1	REAL300012658491	0	52	0.0	-79.33	418.89	7.77	-71.56
CCCN(C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012658492	0	58	0.0	-77.56	436.57	10.04	-67.52
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C2)CC1	REAL300012658493	0	52	0.0	-78.61	413.13	7.62	-70.99
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C2)CC1	REAL300012658494	0	55	0.0	-78.50	417.27	7.99	-70.51
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012658495	0	53	0.0	-81.10	420.43	9.14	-71.96
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658496	0	52	0.0	-77.90	397.55	8.55	-69.35
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)CC1	REAL300012658497	0	54	0.0	-94.92	410.58	9.96	-84.96
C[NH+]1CCC(OC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300012658498	0	58	0.0	-84.66	436.66	8.66	-76.00
C=C(Cl)CC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658499	0	53	0.0	-76.94	434.76	8.66	-68.28
C=C(C)CC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658500	0	56	0.0	-80.91	439.69	8.78	-72.13
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2)CC1	REAL300012658501	0	57	0.0	-97.37	427.88	10.80	-86.57
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012658502	0	53	0.0	-80.24	418.30	9.56	-70.68
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012658503	0	53	0.0	-84.19	411.82	9.48	-74.71
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(OC3CC[NH+](C)CC3)C=C2)C1	REAL300012658504	0	54	0.0	-90.87	419.53	9.45	-81.42
CC(C)C[C@H](NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658505	0	58	0.0	-84.20	445.60	8.77	-75.43
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012658506	0	56	0.0	-85.35	442.07	9.57	-75.78
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300012658507	0	56	0.0	-80.31	438.42	8.98	-71.33
CSCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658508	0	53	0.0	-79.04	430.24	7.83	-71.21
COC[C@H](NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658509	0	53	0.0	-85.38	418.40	5.72	-79.66
CC[C@H](NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658510	0	52	0.0	-83.68	406.54	7.48	-76.20
CCC(C)CC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658511	0	61	0.0	-81.34	463.67	9.49	-71.85
C=CCCCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658512	0	59	0.0	-80.17	462.10	9.65	-70.52
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=C2)CC1	REAL300012658513	0	54	0.0	-89.48	417.24	10.56	-78.92
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012658514	0	53	0.0	-91.01	406.09	9.08	-81.93
CCCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658515	0	55	0.0	-80.23	427.79	8.30	-71.93
CC(C)[C@@H](NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658516	0	55	0.0	-83.57	417.99	7.88	-75.69
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C=C2)CC1	REAL300012658517	0	57	0.0	-95.98	426.57	10.96	-85.02
CCN(C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012658518	0	58	0.0	-85.53	431.82	10.29	-75.24
CCCN(C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012658519	0	58	0.0	-77.56	436.57	10.04	-67.52
CN(C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012658520	0	55	0.0	-85.45	412.28	9.41	-76.04
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012658521	0	53	0.0	-87.50	405.35	9.39	-78.11
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012658522	0	54	0.0	-88.99	417.31	5.70	-83.29
CCC[C@@H](NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658523	0	55	0.0	-80.56	428.04	8.25	-72.31
C[NH+]1CCC(OC2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012658524	0	56	0.0	-83.11	442.72	9.54	-73.57
C=CCCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658525	0	56	0.0	-80.26	440.85	8.81	-71.45
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)CC1	REAL300012658526	0	56	0.0	-90.71	422.43	9.94	-80.77
CC(C)[C@H](NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658527	0	55	0.0	-84.23	419.23	7.80	-76.43
C[NH+]1CCC(OC2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012658528	0	56	0.0	-83.22	442.67	9.54	-73.68
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658529	0	52	0.0	-77.90	397.55	8.55	-69.35
CCC[C@H](NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658530	0	55	0.0	-83.66	428.04	8.25	-75.41
CCN(C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012658531	0	55	0.0	-75.73	414.24	9.33	-66.40
C[NH+]1CCC(OC2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012658532	0	59	0.0	-67.53	440.82	10.87	-56.66
CC(CN(C)C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658533	0	55	0.0	-79.44	417.77	8.98	-70.46
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658534	0	58	0.0	-84.82	437.78	8.44	-76.38
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658535	0	55	0.0	-78.66	418.14	9.68	-68.98
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)C=C2)CC1	REAL300012658536	0	57	0.0	-87.58	439.93	5.48	-82.10
CC1CCC(NC(=O)NCC2=CC=C(OC3CC[NH+](C)CC3)C=C2)(C(=O)[O-])C1	REAL300012658537	0	59	0.0	-89.04	442.61	9.21	-79.83
COCCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658538	0	56	0.0	-79.88	439.97	6.60	-73.28
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)CC1	REAL300012658539	0	59	0.0	-90.45	443.87	9.89	-80.56
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)CC1	REAL300012658540	0	56	0.0	-84.95	435.30	8.61	-76.34
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012658541	0	54	0.0	-94.39	417.31	5.85	-88.54
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCOC3)C=C2)CC1	REAL300012658542	0	57	0.0	-80.65	433.31	6.52	-74.13
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=C2)CC1	REAL300012658543	0	57	0.0	-95.09	427.47	10.52	-84.57
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)C=C2)CC1	REAL300012658544	0	55	0.0	-90.07	420.35	8.17	-81.90
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(OC3CC[NH+](C)CC3)C=C2)C1	REAL300012658545	0	59	0.0	-93.66	438.63	11.34	-82.32
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC1	REAL300012658546	0	56	0.0	-81.32	426.21	8.44	-72.88
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC1	REAL300012658547	0	56	0.0	-81.32	426.21	8.44	-72.88
CC1CCN(C(=O)NCC2=CC=C(OC3CC[NH+](C)CC3)C=C2)C1C(=O)[O-]	REAL300012658548	0	56	0.0	-92.27	426.65	9.70	-82.57
C=CCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658549	0	53	0.0	-79.82	419.57	7.99	-71.83
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=C2)CC1	REAL300012658550	0	57	0.0	-68.72	428.11	10.41	-58.31
COC1CC(NC(=O)NCC2=CC=C(OC3CC[NH+](C)CC3)C=C2)(C(=O)[O-])C1	REAL300012658551	0	57	0.0	-88.52	441.13	7.16	-81.36
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=C2)CC1	REAL300012658552	0	53	0.0	-86.67	416.10	8.22	-78.45
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(OC3CC[NH+](C)CC3)C=C2)(C(=O)[O-])C1	REAL300012658553	0	57	0.0	-87.97	439.97	7.43	-80.54
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658554	0	59	0.0	-88.73	438.86	11.12	-77.61
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=C2)CC1	REAL300012658555	0	51	0.0	-82.50	398.64	5.22	-77.28
CC(C)C(C)(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658556	0	58	0.0	-86.07	427.41	8.54	-77.53
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012658557	0	54	0.0	-93.34	412.44	10.56	-82.78
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012658558	0	57	0.0	-89.86	428.49	9.98	-79.88
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658559	0	58	0.0	-76.23	430.74	10.18	-66.05
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012658560	0	53	0.0	-84.19	411.82	9.48	-74.71
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)CC1	REAL300012658561	0	55	0.0	-68.73	421.40	10.20	-58.53
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])C=C2)CC1	REAL300012658562	0	59	0.0	-92.18	437.62	10.35	-81.83
CC(C)CCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658563	0	61	0.0	-80.60	467.10	9.54	-71.06
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC4CC43)C=C2)CC1	REAL300012658564	0	57	0.0	-90.70	429.03	9.42	-81.28
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012658565	0	59	0.0	-82.37	442.75	9.00	-73.37
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658566	0	56	0.0	-85.33	436.54	6.72	-78.61
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658567	0	56	0.0	-89.42	429.58	9.22	-80.20
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])C=C2)CC1	REAL300012658568	0	59	0.0	-74.32	447.53	10.13	-64.19
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])C=C2)CC1	REAL300012658569	0	53	0.0	-92.73	416.96	9.52	-83.21
COCCCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658570	0	59	0.0	-80.46	461.71	7.32	-73.14
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658571	0	58	0.0	-75.87	439.51	10.39	-65.48
CCOCC(NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012658572	0	56	0.0	-82.39	440.11	6.74	-75.65
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C2)CC1	REAL300012658573	0	61	0.0	-84.49	457.50	9.90	-74.59
C[C@H]1OCCN(C(=O)NCC2=CC=C(OC3CC[NH+](C)CC3)C=C2)[C@@H]1C(=O)[O-]	REAL300012658574	0	57	0.0	-89.87	428.05	8.75	-81.12
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C2)CC1	REAL300012658575	0	53	0.0	-80.11	427.15	8.04	-72.07
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300012658576	0	52	0.0	-75.33	397.06	8.44	-66.89
CSC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C(C)(C)C	REAL300012660244	0	59	0.0	-58.67	432.10	8.05	-50.62
CC(C)C[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660647	1	56	0.0	-76.22	440.47	7.81	-68.41
C=CC(C)C(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660648	1	54	0.0	-77.61	426.80	7.36	-70.25
CCCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660649	1	53	0.0	-60.86	421.42	9.01	-51.85
CC(C)C(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660650	1	53	0.0	-74.92	416.17	6.99	-67.93
O=C([O-])C1CCCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660651	1	54	0.0	-85.55	412.09	9.63	-75.92
O=C([O-])C1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660652	1	51	0.0	-81.90	400.75	8.37	-73.53
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)CCCC1	REAL300012660653	1	54	0.0	-79.55	416.43	7.52	-72.03
O=C([O-])CNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660654	1	44	0.0	-68.44	359.38	4.60	-63.84
CCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660655	1	50	0.0	-75.69	401.16	6.46	-69.23
CC(C)C(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660656	1	53	0.0	-74.92	416.17	6.99	-67.93
CN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660657	1	47	0.0	-76.69	378.12	7.28	-69.41
CC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660658	1	47	0.0	-68.79	380.17	5.43	-63.36
CCC(C)C(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660659	1	56	0.0	-75.97	431.58	7.39	-68.58
CN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660660	1	47	0.0	-76.69	378.12	7.28	-69.41
O=C([O-])C1CCCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660661	1	54	0.0	-85.55	412.09	9.63	-75.92
CCCC(C)(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660662	1	56	0.0	-75.40	427.63	7.57	-67.83
CC(C)N(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660663	1	53	0.0	-76.97	409.62	8.51	-68.46
O=C([O-])CN(C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1CC1	REAL300012660664	1	51	0.0	-59.24	403.48	8.82	-50.42
C=CCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660665	1	51	0.0	-60.71	412.73	8.82	-51.89
CC(C)CN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660666	1	56	0.0	-60.25	435.84	9.32	-50.93
CC(C)(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660667	1	50	0.0	-67.70	392.74	5.83	-61.87
CC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)(C(=O)[O-])C1CC1	REAL300012660668	1	54	0.0	-77.69	415.63	7.58	-70.11
CC(C)N(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660669	1	53	0.0	-76.97	409.62	8.51	-68.46
CCCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660670	1	53	0.0	-60.86	421.42	9.01	-51.85
CCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660671	1	50	0.0	-76.91	399.93	8.26	-68.65
CC[C@H](C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660672	1	56	0.0	-76.47	432.52	7.45	-69.02
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)CCCC1	REAL300012660673	1	54	0.0	-79.55	416.43	7.52	-72.03
CCC(C)(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660674	1	53	0.0	-75.12	406.13	6.82	-68.30
C[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660675	1	47	0.0	-68.68	380.00	5.45	-63.23
CCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660676	1	50	0.0	-76.91	399.93	8.26	-68.65
C[C@@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660677	1	47	0.0	-69.54	380.49	5.39	-64.15
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)CC1	REAL300012660678	1	48	0.0	-81.13	386.33	6.64	-74.49
O=C([O-])C1COCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660679	1	52	0.0	-82.45	403.26	6.96	-75.49
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1CC1	REAL300012660680	1	51	0.0	-78.45	408.38	6.95	-71.50
COCCN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660681	1	54	0.0	-61.46	431.30	7.44	-54.02
O=C([O-])[C@H]1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660682	1	51	0.0	-81.30	401.51	8.05	-73.25
O=C([O-])[C@H]1CCCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660683	1	54	0.0	-82.09	411.12	9.33	-72.76
C[C@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660684	1	50	0.0	-73.86	393.03	7.51	-66.35
O=C([O-])[C@@H]1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660685	1	51	0.0	-80.81	400.76	8.36	-72.45
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)CCC1	REAL300012660686	1	51	0.0	-80.33	403.24	7.15	-73.18
C=CCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660687	1	51	0.0	-75.87	415.31	6.90	-68.97
CC1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660688	1	54	0.0	-82.43	417.89	8.91	-73.52
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1CC1	REAL300012660689	1	51	0.0	-78.45	408.38	6.95	-71.50
CC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660690	1	50	0.0	-73.79	392.09	7.51	-66.28
CCCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660691	1	56	0.0	-76.47	444.99	8.00	-68.47
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660692	1	54	0.0	-81.65	417.84	8.89	-72.76
COCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660693	1	51	0.0	-77.84	413.85	4.69	-73.15
CC(C(=O)[O-])N(C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1CC1	REAL300012660694	1	54	0.0	-65.72	418.34	8.96	-56.76
COCC(C)(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660695	1	54	0.0	-79.84	424.38	6.11	-73.73
CC(C)CN(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660696	1	56	0.0	-60.25	435.84	9.32	-50.93
O=C([O-])CN(C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1CC1	REAL300012660697	1	51	0.0	-59.24	403.48	8.82	-50.42
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)CCOC1	REAL300012660698	1	52	0.0	-75.77	407.53	4.97	-70.80
C=CCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660699	1	54	0.0	-76.18	436.30	7.78	-68.40
O=C([O-])C(CF)NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660700	1	47	0.0	-66.08	383.78	5.44	-60.64
CC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660701	1	50	0.0	-73.79	392.09	7.51	-66.28
CCC(CC)(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660702	1	56	0.0	-76.93	422.52	7.71	-69.22
CCC(C)N(CC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660703	1	56	0.0	-58.23	433.24	9.71	-48.52
O=C([O-])C(CC1CC1)NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660704	1	54	0.0	-76.40	433.61	8.01	-68.39
COCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660705	1	54	0.0	-76.22	434.84	5.52	-70.70
CCCN(C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(C)C(=O)[O-]	REAL300012660706	1	56	0.0	-52.05	432.10	9.90	-42.15
O=C([O-])C(CCF)NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660707	1	50	0.0	-75.01	407.76	6.60	-68.41
C[C@@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660708	1	50	0.0	-73.75	392.10	7.51	-66.24
O=C([O-])C12CC(C1)CN2C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660709	1	52	0.0	-88.13	407.56	8.95	-79.18
CC(C)(C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660710	1	56	0.0	-76.76	432.13	7.64	-69.12
C=C(C)CC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660711	1	54	0.0	-75.57	435.01	7.66	-67.91
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660712	1	51	0.0	-79.48	407.99	8.15	-71.33
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300012660713	1	52	0.0	-81.11	414.98	8.42	-72.69
CC(C)C[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660714	1	56	0.0	-76.22	440.47	7.81	-68.41
O=C([O-])C(CC1CC1)NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660715	1	54	0.0	-76.40	433.61	8.01	-68.39
COC[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660716	1	51	0.0	-77.84	413.86	4.69	-73.15
CC[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660717	1	50	0.0	-76.55	402.00	6.45	-70.10
O=C([O-])[C@H]1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660718	1	51	0.0	-81.30	401.51	8.05	-73.25
CCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660719	1	53	0.0	-75.73	422.66	7.23	-68.50
CC(C)[C@@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660720	1	53	0.0	-77.49	414.11	6.78	-70.71
CCN(C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012660721	1	56	0.0	-79.17	426.73	9.24	-69.93
CCCN(C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(C)C(=O)[O-]	REAL300012660722	1	56	0.0	-52.05	432.10	9.90	-42.15
CN(C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012660723	1	53	0.0	-79.34	407.23	8.33	-71.01
O=C([O-])[C@@H]1CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660724	1	51	0.0	-80.81	400.76	8.36	-72.45
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660725	1	52	0.0	-83.50	412.79	4.68	-78.82
CCC[C@@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660726	1	53	0.0	-76.64	423.25	7.28	-69.36
C=CCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660727	1	54	0.0	-76.18	436.30	7.78	-68.40
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660728	1	54	0.0	-82.46	417.86	8.91	-73.55
CC(C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660729	1	53	0.0	-76.89	419.04	7.02	-69.87
C[C@@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660730	1	50	0.0	-73.75	392.10	7.51	-66.24
CCC[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660731	1	53	0.0	-75.71	422.68	7.24	-68.47
CCN(C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(C)C(=O)[O-]	REAL300012660732	1	53	0.0	-77.57	412.92	9.00	-68.57
CC(CN(C)C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660733	1	53	0.0	-79.93	413.22	7.94	-71.99
CC[C@H](C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660734	1	56	0.0	-76.47	432.52	7.45	-69.02
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660735	1	53	0.0	-74.33	412.39	8.59	-65.74
COCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660736	1	54	0.0	-76.22	434.84	5.52	-70.70
CC1(C(NC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C(=O)[O-])CC1	REAL300012660737	1	54	0.0	-78.64	423.46	7.79	-70.85
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660738	1	52	0.0	-86.46	411.45	4.84	-81.62
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1CCC1	REAL300012660739	1	54	0.0	-78.20	422.14	7.34	-70.86
O=C([O-])C(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1CCC1	REAL300012660740	1	54	0.0	-78.20	422.14	7.34	-70.86
CC1CCN(C(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1C(=O)[O-]	REAL300012660741	1	54	0.0	-83.22	422.11	8.67	-74.55
C=CCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660742	1	51	0.0	-75.87	415.31	6.90	-68.97
O=C([O-])C1(NC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)COC1	REAL300012660743	1	49	0.0	-75.11	393.95	4.20	-70.91
CC(C)C(C)(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660744	1	56	0.0	-76.43	421.06	7.45	-68.98
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660745	1	52	0.0	-84.81	408.43	9.52	-75.29
CCC(C(=O)[O-])N(CC)C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660746	1	56	0.0	-78.66	428.00	9.90	-68.76
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660747	1	51	0.0	-79.48	407.99	8.15	-71.33
CO[C@H](C)[C@H](NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660748	1	54	0.0	-77.57	432.01	5.69	-71.88
CC1[C@@H](C)[C@@]1(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660749	1	54	0.0	-82.75	425.01	8.19	-74.56
CCCC(C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660750	1	56	0.0	-74.41	433.88	9.37	-65.04
CCOCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660751	1	54	0.0	-77.57	435.22	5.65	-71.92
N#CCCC(NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300012660752	1	51	0.0	-78.68	422.85	6.96	-71.72
C[C@H](C(=O)[O-])N(C)C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300012660753	1	50	0.0	-73.86	393.03	7.51	-66.35
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661189	0	53	0.0	-73.59	423.58	9.06	-64.53
C=CC(C)C(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661190	0	51	0.0	-73.31	416.84	8.90	-64.41
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661191	0	50	0.0	-63.01	404.74	10.32	-52.69
CC(C)C(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661192	0	50	0.0	-76.08	396.76	8.17	-67.91
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661193	0	51	0.0	-79.86	395.21	10.97	-68.89
C[NH+](C)C(CNC(=O)N1CCCC1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661194	0	48	0.0	-80.17	383.96	9.69	-70.48
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012661195	0	51	0.0	-74.93	399.71	8.88	-66.05
C[NH+](C)C(CNC(=O)NCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661196	0	41	0.0	-69.46	342.69	5.91	-63.55
CCC(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661197	0	47	0.0	-76.82	385.30	7.75	-69.07
CC(C)C(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661198	0	50	0.0	-76.08	396.76	8.17	-67.91
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661199	0	44	0.0	-75.90	361.43	8.58	-67.32
CC(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661200	0	44	0.0	-70.55	363.48	6.74	-63.81
CCC(C)C(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661201	0	53	0.0	-73.20	414.89	8.69	-64.51
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661202	0	44	0.0	-75.90	361.43	8.58	-67.32
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661203	0	51	0.0	-79.86	395.21	10.97	-68.89
CCCC(C)(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661204	0	53	0.0	-74.52	410.95	8.88	-65.64
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661205	0	50	0.0	-64.39	392.85	9.87	-54.52
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012661206	0	48	0.0	-68.70	386.34	10.12	-58.58
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661207	0	48	0.0	-62.93	396.05	10.12	-52.81
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661208	0	53	0.0	-62.58	419.16	10.63	-51.95
C[NH+](C)C(CNC(=O)NC(C)(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661209	0	47	0.0	-69.29	376.05	7.13	-62.16
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012661210	0	51	0.0	-72.92	398.36	8.87	-64.05
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661211	0	50	0.0	-64.39	392.85	9.87	-54.52
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661212	0	50	0.0	-63.01	404.74	10.32	-52.69
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661213	0	47	0.0	-76.17	383.25	9.56	-66.61
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661214	0	53	0.0	-76.52	415.96	8.73	-67.79
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012661215	0	51	0.0	-74.93	399.71	8.88	-66.05
CCC(C)(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661216	0	50	0.0	-74.20	389.45	8.13	-66.07
C[C@H](NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661217	0	44	0.0	-69.81	362.73	6.77	-63.04
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661218	0	47	0.0	-76.17	383.25	9.56	-66.61
C[C@@H](NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661219	0	44	0.0	-68.86	362.89	6.75	-62.11
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012661220	0	45	0.0	-76.56	369.04	7.96	-68.60
C[NH+](C)C(CNC(=O)N1CCOCC1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661221	0	49	0.0	-76.69	386.29	8.30	-68.39
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012661222	0	48	0.0	-74.75	391.64	8.25	-66.50
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661223	0	51	0.0	-64.52	414.62	8.75	-55.77
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661224	0	48	0.0	-80.05	384.28	9.36	-70.69
C[NH+](C)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661225	0	51	0.0	-78.79	395.22	10.71	-68.08
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661226	0	47	0.0	-74.09	374.83	8.76	-65.33
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661227	0	48	0.0	-80.19	384.27	9.70	-70.49
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012661228	0	48	0.0	-78.54	386.43	8.47	-70.07
C=CCC(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661229	0	48	0.0	-75.99	398.34	8.28	-67.71
C[NH+](C)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661230	0	51	0.0	-79.50	400.56	10.23	-69.27
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012661231	0	48	0.0	-74.75	391.64	8.25	-66.50
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661232	0	47	0.0	-74.11	375.83	8.71	-65.40
CCCCC(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661233	0	53	0.0	-76.18	428.07	9.36	-66.82
C[NH+](C)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661234	0	51	0.0	-80.16	401.10	10.22	-69.94
COCC(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661235	0	48	0.0	-78.54	397.17	6.01	-72.53
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C1CC1	REAL300012661236	0	51	0.0	-71.11	401.36	10.12	-60.99
COCC(C)(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661237	0	51	0.0	-78.66	407.69	7.40	-71.26
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661238	0	53	0.0	-62.58	419.16	10.63	-51.95
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012661239	0	48	0.0	-68.70	386.34	10.12	-58.58
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012661240	0	49	0.0	-72.22	390.72	6.28	-65.94
C=CCCC(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661241	0	51	0.0	-76.11	419.37	9.15	-66.96
C[NH+](C)C(CNC(=O)NC(CF)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661242	0	44	0.0	-67.67	367.41	6.73	-60.94
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661243	0	47	0.0	-74.11	375.83	8.71	-65.40
CCC(CC)(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661244	0	53	0.0	-72.80	406.12	9.02	-63.78
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661245	0	53	0.0	-62.47	413.96	10.90	-51.57
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661246	0	51	0.0	-70.60	413.76	10.29	-60.31
COCCC(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661247	0	51	0.0	-77.47	418.98	6.82	-70.65
C[NH+](C)C(CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661248	0	47	0.0	-75.97	397.41	8.10	-67.87
CCCN(C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012661249	0	53	0.0	-56.04	408.48	11.13	-44.91
C[NH+](C)C(CNC(=O)NC(CCF)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661250	0	47	0.0	-76.17	391.90	7.90	-68.27
C[NH+](C)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661251	0	50	0.0	-71.87	396.04	8.26	-63.61
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661252	0	47	0.0	-71.03	375.90	8.82	-62.21
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC=CC(C(F)(F)F)=C1	REAL300012661253	0	49	0.0	-81.67	389.57	10.31	-71.36
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC=CC(C(F)(F)F)=C1	REAL300012661254	0	53	0.0	-74.12	415.67	8.88	-65.24
C=C(C)CC(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661255	0	51	0.0	-76.75	418.20	9.13	-67.62
C[NH+](C)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CC=CC(C(F)(F)F)=C1	REAL300012661256	0	52	0.0	-83.77	405.56	11.14	-72.63
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661257	0	48	0.0	-75.78	390.60	9.76	-66.02
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC(C(F)(F)F)=C2)[NH+](C)C)C1	REAL300012661258	0	49	0.0	-80.56	398.46	9.76	-70.80
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661259	0	53	0.0	-73.59	423.58	9.06	-64.53
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661260	0	51	0.0	-70.60	413.76	10.29	-60.31
CSCC(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661261	0	48	0.0	-73.44	408.77	8.18	-65.26
COC[C@H](NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661262	0	48	0.0	-74.43	396.26	6.00	-68.43
CC[C@H](NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661263	0	47	0.0	-75.10	383.89	7.78	-67.32
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661264	0	48	0.0	-80.05	384.28	9.36	-70.69
CCCC(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661265	0	50	0.0	-76.22	406.57	8.59	-67.63
CC(C)[C@@H](NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661266	0	50	0.0	-72.72	396.17	8.17	-64.55
C[NH+](C)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661267	0	52	0.0	-81.76	406.09	11.23	-70.53
CCN(C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012661268	0	53	0.0	-77.04	409.51	10.56	-66.48
CCCN(C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012661269	0	53	0.0	-56.04	408.48	11.13	-44.91
CN(C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012661270	0	50	0.0	-77.21	390.28	9.71	-67.50
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661271	0	48	0.0	-80.19	384.27	9.70	-70.49
C[NH+](C)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661272	0	49	0.0	-82.19	395.97	6.01	-76.18
CCC[C@@H](NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661273	0	50	0.0	-72.84	405.98	8.59	-64.25
C=CCCC(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661274	0	51	0.0	-76.11	419.37	9.15	-66.96
C[NH+](C)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661275	0	51	0.0	-77.18	401.06	10.22	-66.96
CC(C)[C@H](NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661276	0	50	0.0	-72.16	396.00	8.07	-64.09
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661277	0	47	0.0	-71.03	375.90	8.82	-62.21
CCC[C@H](NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661278	0	50	0.0	-75.89	406.22	8.53	-67.36
CCN(C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012661279	0	50	0.0	-74.81	393.02	9.60	-65.21
CC(CN(C)C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661280	0	50	0.0	-77.59	396.54	9.25	-68.34
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661281	0	53	0.0	-76.52	415.96	8.73	-67.79
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661282	0	50	0.0	-74.88	395.14	9.75	-65.13
COCCC(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661283	0	51	0.0	-77.47	418.98	6.82	-70.65
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012661284	0	51	0.0	-74.15	413.88	8.92	-65.23
C[NH+](C)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661285	0	49	0.0	-82.94	395.03	6.17	-76.77
C[NH+](C)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661286	0	52	0.0	-88.86	402.39	11.72	-77.14
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012661287	0	51	0.0	-73.30	404.39	8.72	-64.58
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012661288	0	51	0.0	-73.30	404.39	8.72	-64.58
CC1CCN(C(=O)NCC(C2=CC=CC(C(F)(F)F)=C2)[NH+](C)C)C1C(=O)[O-]	REAL300012661289	0	51	0.0	-77.54	399.65	9.83	-67.71
C=CCC(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661290	0	48	0.0	-75.99	398.34	8.28	-67.71
C[NH+](C)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661291	0	52	0.0	-41.91	402.44	11.20	-30.71
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])COC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012661292	0	46	0.0	-71.11	376.67	5.51	-65.60
CC(C)C(C)(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661293	0	53	0.0	-75.06	406.17	8.82	-66.24
C[NH+](C)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661294	0	49	0.0	-80.51	391.74	10.85	-69.66
C[NH+](C)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661295	0	52	0.0	-81.09	406.76	10.43	-70.66
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661296	0	53	0.0	-75.47	409.52	10.45	-65.02
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661297	0	48	0.0	-75.78	390.60	9.76	-66.02
C[NH+](C)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661298	0	50	0.0	-61.46	395.66	10.44	-51.02
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CC=CC(C(F)(F)F)=C1	REAL300012661299	0	52	0.0	-77.05	407.80	9.70	-67.35
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661300	0	51	0.0	-77.40	414.72	7.01	-70.39
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661301	0	51	0.0	-79.67	408.37	9.49	-70.18
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661302	0	53	0.0	-74.81	417.78	10.56	-64.25
CCOCC(NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012661303	0	51	0.0	-78.51	418.89	7.03	-71.48
C[NH+](C)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012661304	0	48	0.0	-79.19	406.16	8.25	-70.94
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300012661305	0	47	0.0	-74.09	374.83	8.76	-65.33
C=CCOCC(NC(=O)NC1CC[NH+](CCC)CC1)C(=O)[O-]	REAL300012661623	0	49	0.0	-74.34	383.16	5.61	-68.73
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012661624	0	52	0.0	-72.58	383.79	5.79	-66.79
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012661625	0	48	0.0	-66.86	385.76	8.08	-58.78
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012661626	0	48	0.0	-67.30	395.90	8.45	-58.85
CCC[NH+]1CCC(NC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300012661627	0	52	0.0	-80.71	378.98	7.66	-73.05
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012661628	0	52	0.0	-71.21	380.55	5.67	-65.54
CCC[NH+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012661629	0	51	0.0	-80.26	367.35	9.28	-70.98
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300012661630	0	51	0.0	-70.94	399.30	8.63	-62.31
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012661631	0	53	0.0	-73.47	408.74	7.70	-65.77
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012661632	0	54	0.0	-74.22	415.42	9.25	-64.97
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300012661633	0	54	0.0	-73.74	411.72	9.08	-64.66
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)CC1	REAL300012661634	0	52	0.0	-70.53	418.83	7.74	-62.79
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300012661635	0	54	0.0	-74.01	402.24	8.92	-65.09
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300012661636	0	52	0.0	-70.42	408.77	7.33	-63.09
CCC[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012661637	0	51	0.0	-61.87	368.93	8.68	-53.19
CCCN(C(=O)NC1CC[NH+](CCC)CC1)C(COC)C(=O)[O-]	REAL300012661638	0	54	0.0	-74.79	397.93	9.28	-65.51
CCCN(C(=O)NC1CC[NH+](CCC)CC1)C(CC)C(=O)[O-]	REAL300012661639	0	53	0.0	-69.90	382.89	9.32	-60.58
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012661640	0	48	0.0	-70.24	389.99	8.40	-61.84
CCC[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012661641	0	46	0.0	-78.76	346.65	8.80	-69.96
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012661642	0	51	0.0	-75.24	366.18	7.99	-67.25
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012661643	0	54	0.0	-75.73	371.82	8.64	-67.09
CCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012661644	0	51	0.0	-74.31	395.31	8.88	-65.43
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012661645	0	51	0.0	-60.86	393.60	10.60	-50.26
CCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012661646	0	48	0.0	-73.72	372.60	7.93	-65.79
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012661647	0	48	0.0	-73.93	372.85	7.86	-66.07
CCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012661648	0	51	0.0	-74.31	395.31	8.88	-65.43
CCC[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012661649	0	52	0.0	-81.90	384.99	10.95	-70.95
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012661650	0	45	0.0	-72.02	364.46	6.94	-65.08
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012661651	0	51	0.0	-75.24	366.18	7.99	-67.25
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012661652	0	51	0.0	-57.13	410.78	11.15	-45.98
CCC[NH+]1CCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012661653	0	55	0.0	-74.16	424.16	8.86	-65.30
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)CC1	REAL300012661654	0	59	0.0	-61.24	452.59	9.21	-52.03
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300012661655	0	48	0.0	-70.10	394.55	8.50	-61.60
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012661656	0	51	0.0	-57.31	400.46	10.69	-46.62
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012661657	0	52	0.0	-75.41	392.16	9.15	-66.26
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012661658	0	48	0.0	-72.90	384.14	8.03	-64.87
CCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012661659	0	51	0.0	-74.44	380.63	8.63	-65.81
CCCCCCC(C)(NC(=O)NC1CC[NH+](CCC)CC1)C(=O)[O-]	REAL300012661660	0	59	0.0	-71.63	426.81	9.24	-62.39
CCC[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012661661	0	54	0.0	-71.67	404.19	10.83	-60.84
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012661662	0	48	0.0	-70.24	389.99	8.40	-61.84
CCC[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012661663	0	54	0.0	-78.22	375.44	9.30	-68.92
CCC[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012661664	0	54	0.0	-60.39	416.46	11.40	-48.99
CCC[NH+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012661665	0	51	0.0	-77.93	383.68	9.41	-68.52
CCC[NH+]1CCC(NC(=O)N(CCOC)CC(=O)[O-])CC1	REAL300012661666	0	48	0.0	-61.64	365.98	6.78	-54.86
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012661667	0	52	0.0	-76.73	387.97	8.93	-67.80
CCC[NH+]1CCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012661668	0	55	0.0	-80.53	428.74	8.80	-71.73
CCC[NH+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012661669	0	51	0.0	-78.31	360.82	9.62	-68.69
CCC[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012661670	0	54	0.0	-60.39	416.46	11.40	-48.99
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012661671	0	51	0.0	-57.31	364.87	8.95	-48.36
CCCCCC(NC(=O)NC1CC[NH+](CCC)CC1)C(=O)[O-]	REAL300012661672	0	53	0.0	-72.33	401.17	8.11	-64.22
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(CC)CC2)CC1	REAL300012661673	0	57	0.0	-76.15	405.70	9.26	-66.89
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012661674	0	52	0.0	-60.36	379.37	7.49	-52.87
CCC[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012661675	0	51	0.0	-78.17	364.00	8.86	-69.31
CCC[NH+]1CCC(NC(=O)N(C(CC)C(=O)[O-])C2CC2)CC1	REAL300012661676	0	51	0.0	-64.07	373.38	9.38	-54.69
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012661677	0	48	0.0	-75.34	382.93	8.27	-67.07
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012661678	0	48	0.0	-79.04	376.42	7.95	-71.09
CCC[NH+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012661679	0	52	0.0	-62.26	387.67	10.29	-51.97
CCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012661680	0	51	0.0	-76.02	409.44	9.09	-66.93
CCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012661681	0	57	0.0	-77.90	439.07	10.93	-66.97
CCC[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012661682	0	57	0.0	-73.46	417.25	9.08	-64.38
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012661683	0	54	0.0	-59.37	405.79	11.23	-48.14
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300012661684	0	51	0.0	-73.95	394.22	8.53	-65.42
CCC[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012661685	0	44	0.0	-66.47	352.37	6.55	-59.92
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012661686	0	54	0.0	-75.98	418.81	10.12	-65.86
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012661687	0	49	0.0	-72.59	363.85	7.66	-64.93
CCC[NH+]1CCC(NC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300012661688	0	48	0.0	-75.67	359.06	5.43	-70.24
CCC[NH+]1CCC(NC(=O)N(C)C(COCC)C(=O)[O-])CC1	REAL300012661689	0	51	0.0	-70.70	378.71	7.19	-63.51
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(CC)C2=CC=CC=C2)CC1	REAL300012661690	0	57	0.0	-58.73	421.68	11.94	-46.79
CCC[NH+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012661691	0	47	0.0	-60.71	374.24	8.73	-51.98
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012661692	0	54	0.0	-73.53	389.74	8.06	-65.47
CCC[NH+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012661693	0	55	0.0	-72.43	405.59	8.68	-63.75
CCC[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012661694	0	55	0.0	-80.43	410.70	11.95	-68.48
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012661695	0	49	0.0	-75.69	357.61	5.49	-70.20
CCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012661696	0	54	0.0	-54.74	402.55	11.64	-43.10
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)CC1	REAL300012661697	0	52	0.0	-73.52	402.75	7.17	-66.35
CCC[NH+]1CCC(NC(=O)NC(CC)(COC)C(=O)[O-])CC1	REAL300012661698	0	51	0.0	-76.88	375.50	6.34	-70.54
CCC[NH+]1CCC(NC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012661699	0	54	0.0	-71.23	398.97	7.95	-63.28
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012661700	0	51	0.0	-77.45	382.68	3.98	-73.47
CCC[NH+]1CCC(NC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012661701	0	48	0.0	-72.58	370.35	4.85	-67.73
CCC[NH+]1CCC(NC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012661702	0	53	0.0	-70.73	386.36	9.24	-61.49
CCC[NH+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012661703	0	44	0.0	-72.61	349.03	6.06	-66.55
CCC[NH+]1CCC(NC(=O)N2CCCC2(CCC)C(=O)[O-])CC1	REAL300012661704	0	54	0.0	-81.35	387.19	10.18	-71.17
CCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012661705	0	54	0.0	-78.12	403.70	11.47	-66.65
CCC[NH+]1CCC(NC(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012661706	0	54	0.0	-70.89	414.71	10.04	-60.85
CCC[NH+]1CCC(NC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012661707	0	54	0.0	-74.31	397.61	9.52	-64.79
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300012661708	0	58	0.0	-78.04	422.85	6.98	-71.06
CCC[NH+]1CCC(NC(=O)NC(CC2(OC)CCC2)C(=O)[O-])CC1	REAL300012661709	0	55	0.0	-72.14	407.01	6.89	-65.25
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012661710	0	52	0.0	-60.36	379.37	7.49	-52.87
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012661711	0	54	0.0	-60.43	388.77	9.89	-50.54
CCC[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012661712	0	54	0.0	-76.63	379.97	8.36	-68.27
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012661713	0	52	0.0	-75.19	402.80	7.17	-68.02
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300012661714	0	48	0.0	-75.15	387.88	8.33	-66.82
CCC[NH+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012661715	0	47	0.0	-68.37	347.40	6.29	-62.08
CCC[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012661716	0	49	0.0	-63.80	370.55	8.47	-55.33
CCC[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012661717	0	45	0.0	-72.94	351.07	7.47	-65.47
CCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012661718	0	52	0.0	-75.25	402.33	7.13	-68.12
CCC[NH+]1CCC(NC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])CC1	REAL300012661719	0	54	0.0	-79.94	401.73	9.59	-70.35
CCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])CC1	REAL300012661720	0	55	0.0	-73.52	424.30	8.15	-65.37
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012661721	0	57	0.0	-76.18	394.08	8.86	-67.32
CCC[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300012661722	0	54	0.0	-71.69	415.41	9.52	-62.17
CCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012661723	0	53	0.0	-70.20	408.83	9.30	-60.90
CCC[NH+]1CCC(NC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300012661724	0	52	0.0	-77.40	384.88	7.27	-70.13
CCC[NH+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012661725	0	55	0.0	-72.27	403.83	7.28	-64.99
C=C(Cl)CC(NC(=O)NC1CC[NH+](CCC)CC1)C(=O)[O-]	REAL300012661726	0	45	0.0	-68.19	364.91	6.96	-61.23
CCC[NH+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012661727	0	49	0.0	-85.29	357.99	9.13	-76.16
CCC[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012661728	0	54	0.0	-72.29	405.09	9.07	-63.22
CCC[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012661729	0	45	0.0	-73.60	351.07	7.47	-66.13
CCC[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012661730	0	45	0.0	-75.01	343.26	7.39	-67.62
CCC[NH+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012661731	0	55	0.0	-73.07	403.67	7.33	-65.74
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012661732	0	52	0.0	-72.58	383.79	5.79	-66.79
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012661733	0	48	0.0	-73.93	372.85	7.86	-66.07
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300012661734	0	51	0.0	-72.72	411.54	8.84	-63.88
CCC[NH+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012661735	0	47	0.0	-70.36	381.25	6.00	-64.36
CCC[NH+]1CCC(NC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012661736	0	56	0.0	-71.82	418.50	8.68	-63.14
CCC[NH+]1CCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012661737	0	54	0.0	-75.39	424.15	9.30	-66.09
CCC[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012661738	0	52	0.0	-76.75	392.85	6.16	-70.59
CCC[NH+]1CCC(NC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012661739	0	45	0.0	-70.69	360.15	6.19	-64.50
CCC[NH+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012661740	0	51	0.0	-71.80	401.49	8.86	-62.94
CCC[NH+]1CCC(NC(=O)NC(CC(C)CC)C(=O)[O-])CC1	REAL300012661741	0	53	0.0	-72.65	393.61	7.74	-64.91
C=CCCCC(NC(=O)NC1CC[NH+](CCC)CC1)C(=O)[O-]	REAL300012661742	0	51	0.0	-72.11	391.65	7.92	-64.19
CCC[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012661743	0	51	0.0	-71.84	400.62	8.88	-62.96
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012661744	0	54	0.0	-78.33	413.55	10.01	-68.32
CCC[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012661745	0	46	0.0	-78.76	346.65	8.80	-69.96
CCC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012661746	0	51	0.0	-74.44	380.63	8.63	-65.81
CCC[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012661747	0	49	0.0	-83.37	357.43	9.29	-74.08
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012661748	0	44	0.0	-68.02	349.22	8.09	-59.93
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012661749	0	44	0.0	-68.02	349.22	8.09	-59.93
CCC[NH+]1CCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012661750	0	57	0.0	-61.66	422.93	6.08	-55.58
CCC[NH+]1CCC(NC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012661751	1	61	0.0	-61.37	448.13	5.95	-55.42
CCC[NH+]1CCC(NC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])CC1	REAL300012661752	0	52	0.0	-58.35	389.84	10.53	-47.82
CCC[NH+]1CCC(NC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012661753	0	55	0.0	-63.83	399.85	10.82	-53.01
CCC[NH+]1CCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012661754	0	53	0.0	-73.67	392.44	8.99	-64.68
CCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012661755	0	48	0.0	-73.72	372.60	7.93	-65.79
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012661756	0	51	0.0	-68.97	411.39	8.91	-60.06
CCC[NH+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012661757	0	53	0.0	-74.50	412.13	7.82	-66.68
CCC[NH+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012661758	0	47	0.0	-76.19	382.07	5.81	-70.38
CCC[NH+]1CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012661759	0	48	0.0	-67.91	401.12	7.60	-60.31
CCC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012661760	0	48	0.0	-86.69	366.00	5.22	-81.47
CCC[NH+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012661761	0	49	0.0	-73.17	363.27	6.95	-66.22
CCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012661762	0	48	0.0	-73.02	372.79	7.84	-65.18
CCC[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012661763	0	51	0.0	-72.26	387.09	7.23	-65.03
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012661764	0	51	0.0	-57.31	364.87	8.95	-48.36
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012661765	0	49	0.0	-81.94	368.43	3.66	-78.28
CCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012661766	0	57	0.0	-75.01	419.93	7.07	-67.94
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012661767	0	51	0.0	-75.45	372.73	7.50	-67.95
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012661768	0	54	0.0	-76.96	380.53	8.11	-68.85
CCC[NH+]1CCC(NC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012661769	0	48	0.0	-72.58	370.35	4.85	-67.73
CCC[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012661770	0	54	0.0	-71.67	404.19	10.83	-60.84
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012661771	0	51	0.0	-76.83	374.23	8.19	-68.64
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)CC1	REAL300012661772	0	58	0.0	-76.22	421.51	10.16	-66.06
CCC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012661773	0	57	0.0	-74.41	420.45	7.06	-67.35
CCC[NH+]1CCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012661774	0	56	0.0	-64.48	415.09	11.41	-53.07
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012661775	0	49	0.0	-69.86	364.29	4.81	-65.05
CCC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012661776	0	49	0.0	-82.66	357.15	8.82	-73.84
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012661777	0	52	0.0	-81.52	404.74	7.92	-73.60
CCC[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012661778	0	47	0.0	-79.19	350.05	6.51	-72.68
CCC[NH+]1CCC(NC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012661779	0	51	0.0	-81.39	367.61	9.56	-71.83
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012661780	0	54	0.0	-73.37	412.28	9.23	-64.14
CCC[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012661781	0	55	0.0	-71.79	404.66	9.64	-62.15
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012661782	0	61	0.0	-74.04	429.93	8.53	-65.51
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012661783	0	54	0.0	-73.53	389.74	8.06	-65.47
CCC[NH+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012661784	0	55	0.0	-72.16	408.89	7.50	-64.66
CCC[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012661785	0	55	0.0	-53.64	382.83	9.55	-44.09
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012661786	0	55	0.0	-75.42	386.71	6.78	-68.64
CCC[NH+]1CCC(NC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012661787	0	54	0.0	-75.01	433.50	10.14	-64.87
CCC[NH+]1CCC(NC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC1	REAL300012661788	0	55	0.0	-65.16	405.70	10.74	-54.42
CCC[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012661789	0	49	0.0	-56.13	358.59	8.74	-47.39
CCC[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012661790	0	55	0.0	-71.79	404.66	9.64	-62.15
CCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012661791	0	51	0.0	-75.60	401.72	8.95	-66.65
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300012661792	0	49	0.0	-78.57	371.17	5.44	-73.13
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012661793	0	45	0.0	-74.33	346.22	6.51	-67.82
CCC[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)CC1	REAL300012661794	0	49	0.0	-74.94	369.87	5.73	-69.21
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012661795	0	48	0.0	-75.57	376.78	7.54	-68.03
CCC[NH+]1CCC(NC(=O)N2CCCC2(CC)C(=O)[O-])CC1	REAL300012661796	0	51	0.0	-80.57	365.81	9.47	-71.10
CCC[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012661797	0	44	0.0	-66.47	352.37	6.55	-59.92
CCC[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012661798	0	52	0.0	-74.49	391.54	5.85	-68.64
CCC[NH+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012661799	0	48	0.0	-72.61	386.59	7.90	-64.71
CCC[NH+]1CCC(NC(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012661800	0	55	0.0	-72.82	413.82	7.84	-64.98
CCC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012661801	0	49	0.0	-79.76	358.68	8.45	-71.31
CCC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012661802	0	54	0.0	-78.12	403.70	11.47	-66.65
CCC[NH+]1CCC(NC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300012661803	0	55	0.0	-77.40	434.28	8.38	-69.02
CCC[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012661804	0	57	0.0	-73.46	417.25	9.08	-64.38
CCC[NH+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012661805	0	54	0.0	-71.72	417.23	9.59	-62.13
CCC[NH+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012661806	0	54	0.0	-73.86	418.07	9.57	-64.29
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012661807	0	55	0.0	-74.08	398.46	8.64	-65.44
CCC[NH+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012661808	0	57	0.0	-72.93	417.04	8.98	-63.95
CCC[NH+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012661809	0	57	0.0	-74.05	417.00	8.99	-65.06
CCC[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012661810	0	55	0.0	-55.60	397.21	9.66	-45.94
CCC[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012661811	0	55	0.0	-80.93	394.21	9.38	-71.55
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300012661812	0	55	0.0	-77.58	437.62	8.41	-69.17
CCC[NH+]1CCC(NC(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])CC1	REAL300012661813	0	55	0.0	-75.14	424.81	8.18	-66.96
C=CCSCC(NC(=O)NC1CC[NH+](CCC)CC1)C(=O)[O-]	REAL300012661814	0	49	0.0	-69.61	394.41	7.65	-61.96
CCC[NH+]1CCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012661815	0	52	0.0	-73.02	416.10	9.28	-63.74
CCC[NH+]1CCC(NC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300012661816	0	55	0.0	-87.95	435.18	8.80	-79.15
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(OC)CCC2)CC1	REAL300012661817	0	52	0.0	-68.52	384.26	5.45	-63.07
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012661818	0	54	0.0	-73.85	398.25	8.80	-65.05
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012661819	0	55	0.0	-75.64	404.09	9.90	-65.74
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012661820	0	48	0.0	-74.90	368.17	7.21	-67.69
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300012661822	0	60	0.0	-73.51	449.05	10.18	-63.33
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300012661823	0	57	0.0	-73.43	433.48	9.81	-63.62
CCC[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012661824	0	45	0.0	-75.01	343.26	7.39	-67.62
CCC[NH+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012661825	0	47	0.0	-57.75	351.44	8.51	-49.24
CCC[NH+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012661826	0	51	0.0	-79.79	371.54	8.34	-71.45
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC)C=C2)CC1	REAL300012661827	0	55	0.0	-72.80	424.00	8.12	-64.68
CCC[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012661828	0	55	0.0	-79.87	392.04	10.35	-69.52
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012661829	0	55	0.0	-73.30	413.26	9.74	-63.56
CCC[NH+]1CCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012661830	0	55	0.0	-77.54	415.27	8.89	-68.65
CCC[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012661831	0	51	0.0	-76.37	408.20	8.80	-67.57
CCC[NH+]1CCC(NC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300012661832	0	53	0.0	-72.49	397.24	7.85	-64.64
CCC[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012661833	0	52	0.0	-55.71	382.33	9.18	-46.53
CCC[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012661834	0	52	0.0	-74.49	391.54	5.85	-68.64
CCC[NH+]1CCC(NC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])CC1	REAL300012661835	0	49	0.0	-74.86	379.16	8.88	-65.98
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012661836	0	52	0.0	-78.56	372.01	8.62	-69.94
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012661837	0	49	0.0	-78.04	359.16	7.71	-70.33
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012661838	0	52	0.0	-76.77	386.96	8.36	-68.41
CCC[NH+]1CCC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012661839	0	54	0.0	-72.80	404.18	10.83	-61.97
CCC[NH+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012661840	0	58	0.0	-55.61	411.45	10.13	-45.48
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012661841	0	51	0.0	-72.82	372.84	7.36	-65.46
CCC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300012661842	0	48	0.0	-74.72	366.66	5.02	-69.70
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012661843	0	51	0.0	-60.86	393.60	10.60	-50.26
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300012661844	0	58	0.0	-73.46	446.85	11.31	-62.15
CCC[NH+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012661845	0	51	0.0	-55.88	375.29	8.47	-47.41
CCC[NH+]1CCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012661846	0	52	0.0	-58.97	399.98	10.27	-48.70
CCC[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012661847	0	48	0.0	-77.99	358.13	8.80	-69.19
CCC[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012661848	0	45	0.0	-82.48	349.39	7.42	-75.06
CCC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012661849	0	51	0.0	-75.60	401.72	8.95	-66.65
CCC[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012661850	0	48	0.0	-72.00	385.54	7.76	-64.24
CCC[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012661851	0	48	0.0	-71.82	364.62	8.34	-63.48
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012661852	0	52	0.0	-75.89	399.86	8.51	-67.38
CCC[NH+]1CCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300012661853	0	56	0.0	-78.35	424.99	9.90	-68.45
CCC[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012661854	0	48	0.0	-72.00	385.54	7.76	-64.24
CCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012661855	0	52	0.0	-80.19	374.76	8.85	-71.34
CCC[NH+]1CCC(NC(=O)NC(CCCOC)C(=O)[O-])CC1	REAL300012661856	0	51	0.0	-72.65	391.85	5.61	-67.04
CCC[NH+]1CCC(NC(=O)NC(COCC)C(=O)[O-])CC1	REAL300012661857	0	48	0.0	-74.30	370.39	5.00	-69.30
CCC[NH+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012661858	0	53	0.0	-72.93	387.51	8.17	-64.76
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012661859	0	52	0.0	-74.39	387.90	6.34	-68.05
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300012661860	0	48	0.0	-71.06	394.36	8.57	-62.49
CCC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012661861	0	52	0.0	-75.41	392.16	9.15	-66.26
CCC[NH+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012661862	0	49	0.0	-78.13	357.46	7.00	-71.13
CCC[NH+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012661863	0	51	0.0	-71.17	378.32	8.70	-62.47
CCC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300012661864	0	62	0.0	-78.20	429.21	9.89	-68.31
CCC[NH+]1CCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012661865	0	54	0.0	-74.08	420.01	9.20	-64.88
CCC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012661866	0	48	0.0	-61.73	375.25	8.74	-52.99
CCC[NH+]1CCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012661867	0	59	0.0	-78.83	408.99	9.21	-69.62
CCC[NH+]1CCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012661868	0	50	0.0	-69.45	407.10	7.50	-61.95
CCC[NH+]1CCC(NC(=O)N2C[C@H](OCC)C[C@H]2C(=O)[O-])CC1	REAL300012661869	0	52	0.0	-75.12	390.19	7.73	-67.39
CC(C)OC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=N1	REAL300012662047	0	59	0.0	-62.88	460.27	5.98	-56.90
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=NC=CS1	REAL300012662460	0	52	0.0	-63.52	416.29	6.00	-57.52
COCCN1C=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012663893	0	57	0.0	-66.42	449.20	5.13	-61.29
CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012664019	0	59	0.0	-76.65	434.32	9.06	-67.59
C=CCOCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664020	0	58	0.0	-78.40	442.23	7.56	-70.84
C=CC(C)C(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664021	0	57	0.0	-77.84	420.13	8.59	-69.25
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012664022	0	61	0.0	-79.29	440.13	7.61	-71.68
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012664023	0	57	0.0	-71.23	443.86	9.98	-61.25
COC1CCN(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C(C(=O)[O-])C1	REAL300012664024	0	61	0.0	-88.46	435.80	9.80	-78.66
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012664025	0	61	0.0	-76.73	440.10	7.58	-69.15
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012664026	0	60	0.0	-87.57	419.30	11.03	-76.54
CC1=CC(C(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C(=O)[O-])=CC=C1F	REAL300012664027	0	60	0.0	-74.47	458.50	10.54	-63.93
CC1=CC(C)=CC(C(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C(=O)[O-])=C1	REAL300012664028	0	63	0.0	-79.61	474.38	11.24	-68.37
CC1=CC=C(C(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C(=O)[O-])C=C1C	REAL300012664029	0	63	0.0	-79.01	470.18	11.05	-67.96
CC1=CC=CC(C(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C(=O)[O-])=C1C	REAL300012664030	0	63	0.0	-78.20	461.77	10.85	-67.35
CCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CCC(C)C)CC1	REAL300012664031	0	56	0.0	-63.77	415.05	10.34	-53.43
CC(C)CC[NH+]1CCC(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012664032	0	60	0.0	-57.61	421.13	11.45	-46.16
CCCN(C(=O)NCC1CC[NH+](CCC(C)C)CC1)C(COC)C(=O)[O-]	REAL300012664033	0	63	0.0	-74.74	452.63	9.93	-64.81
CCCN(C(=O)NCC1CC[NH+](CCC(C)C)CC1)C(CC)C(=O)[O-]	REAL300012664034	0	62	0.0	-83.59	448.50	12.26	-71.33
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012664035	0	56	0.0	-76.39	409.79	8.31	-68.08
CC(C)CC[NH+]1CCC(CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012664036	0	57	0.0	-88.54	405.71	10.95	-77.59
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012664037	0	57	0.0	-73.75	447.88	10.38	-63.37
CC(C)CC[NH+]1CCC(CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012664038	0	55	0.0	-85.14	405.75	10.73	-74.41
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012664039	0	60	0.0	-82.19	425.17	9.98	-72.21
CC(C)CC[NH+]1CCC(CNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012664040	0	54	0.0	-83.11	394.37	9.68	-73.43
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012664041	0	57	0.0	-82.19	410.65	8.89	-73.30
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012664042	0	63	0.0	-83.17	430.77	10.64	-72.53
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012664043	0	60	0.0	-77.83	453.81	10.84	-66.99
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012664044	0	60	0.0	-61.53	452.55	12.59	-48.94
CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012664045	0	57	0.0	-78.69	431.55	9.92	-68.77
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012664046	0	57	0.0	-78.08	431.75	9.83	-68.25
CCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664047	0	53	0.0	-75.90	395.38	7.83	-68.07
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012664048	0	56	0.0	-76.39	409.79	8.31	-68.08
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012664049	0	60	0.0	-77.83	453.81	10.84	-66.99
CCC(C)C(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664050	0	59	0.0	-76.09	428.73	9.00	-67.09
CC(C)CC[NH+]1CCC(CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012664051	0	57	0.0	-88.54	405.71	10.95	-77.59
CCCC(C)(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664052	0	59	0.0	-78.23	421.25	8.90	-69.33
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012664053	0	56	0.0	-64.35	403.68	9.86	-54.49
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012664054	0	54	0.0	-64.69	397.28	10.14	-54.55
C=CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CCC(C)C)CC1	REAL300012664055	0	54	0.0	-63.55	406.36	10.15	-53.40
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012664056	0	59	0.0	-63.13	429.47	10.65	-52.48
CC(C)CC[NH+]1CCC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012664057	0	61	0.0	-88.34	443.32	12.83	-75.51
CC(C)CC[NH+]1CCC(CNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012664058	0	53	0.0	-64.88	386.36	7.14	-57.74
CC(C)CC[NH+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012664059	0	57	0.0	-78.39	409.26	8.89	-69.50
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012664060	0	54	0.0	-76.57	422.78	8.95	-67.62
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012664061	0	60	0.0	-82.19	425.17	9.98	-72.21
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012664062	0	56	0.0	-64.35	403.68	9.86	-54.49
CCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CCC(C)C)CC1	REAL300012664063	0	56	0.0	-63.77	415.05	10.34	-53.43
CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CCC(C)C)CC1	REAL300012664064	0	53	0.0	-75.99	393.55	9.58	-66.41
CC[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664065	0	59	0.0	-77.63	425.20	8.70	-68.93
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012664066	0	57	0.0	-82.19	410.65	8.89	-73.30
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012664067	0	60	0.0	-59.18	458.96	12.66	-46.52
CCC(C)(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664068	0	56	0.0	-77.88	399.76	8.14	-69.74
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012664069	0	61	0.0	-81.18	449.74	11.02	-70.16
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012664070	0	57	0.0	-79.05	442.63	10.00	-69.05
CC(C)CC[NH+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012664071	0	60	0.0	-78.92	439.58	10.62	-68.30
CCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CCC(C)C)CC1	REAL300012664072	0	53	0.0	-75.99	393.55	9.58	-66.41
CCCCCCC(C)(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664073	0	68	0.0	-78.35	485.75	11.23	-67.12
CC(C)CC[NH+]1CCC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012664074	0	63	0.0	-74.85	463.13	12.82	-62.03
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012664075	0	51	0.0	-82.78	380.41	7.99	-74.79
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012664076	0	57	0.0	-73.75	447.88	10.38	-63.37
CC(C)CC[NH+]1CCC(CNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012664077	0	55	0.0	-84.75	397.34	8.32	-76.43
CC(C)CC[NH+]1CCC(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012664078	0	63	0.0	-82.16	434.39	11.29	-70.87
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012664079	0	54	0.0	-75.62	402.54	8.25	-67.37
CC(C)CC[NH+]1CCC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012664080	0	63	0.0	-64.61	474.95	13.37	-51.24
CC(C)CC[NH+]1CCC(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012664081	0	60	0.0	-83.18	442.17	11.39	-71.79
COCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](CCC(C)C)CC1	REAL300012664082	0	57	0.0	-64.07	424.92	8.77	-55.30
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012664083	0	61	0.0	-83.33	446.81	10.96	-72.37
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012664084	0	54	0.0	-83.30	395.61	9.40	-73.90
CC(C)CC[NH+]1CCC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012664085	0	57	0.0	-87.23	405.69	10.74	-76.49
CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012664086	0	53	0.0	-73.49	385.57	8.78	-64.71
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012664087	0	54	0.0	-84.65	394.84	9.72	-74.93
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012664088	0	54	0.0	-83.16	397.20	8.52	-74.64
C=CCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664089	0	54	0.0	-75.96	408.90	8.23	-67.73
CC(C)CC[NH+]1CCC(CNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012664090	0	57	0.0	-84.63	411.45	10.24	-74.39
CC(C)CC[NH+]1CCC(CNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012664091	0	60	0.0	-80.46	419.44	10.97	-69.49
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012664092	0	54	0.0	-75.62	402.54	8.25	-67.37
CC(C)CC[NH+]1CCC(CNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012664093	0	53	0.0	-71.74	386.64	8.84	-62.90
CCCCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664094	0	59	0.0	-75.76	438.37	9.37	-66.39
CC(C)CC[NH+]1CCC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012664095	0	63	0.0	-64.61	474.95	13.37	-51.24
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012664096	0	57	0.0	-82.82	411.50	10.22	-72.60
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012664097	0	60	0.0	-61.74	423.82	10.94	-50.80
COCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664098	0	54	0.0	-77.58	407.48	6.01	-71.57
CCCCCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664099	0	62	0.0	-76.15	460.11	10.10	-66.05
CCC1CCC(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)(C(=O)[O-])CC1	REAL300012664100	0	66	0.0	-78.20	457.86	10.51	-67.69
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012664101	0	61	0.0	-63.48	438.34	9.49	-53.99
CC(C)CC[NH+]1CCC(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012664102	0	60	0.0	-83.13	421.10	10.59	-72.54
CC(C)CC[NH+]1CCC(CNC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012664103	0	57	0.0	-65.72	412.42	10.31	-55.41
CCC(C(=O)[O-])N(C(=O)NCC1CC[NH+](CCC(C)C)CC1)C1CC1	REAL300012664104	0	60	0.0	-61.80	433.94	11.49	-50.31
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012664105	0	57	0.0	-79.88	443.74	10.27	-69.61
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012664106	0	57	0.0	-83.29	435.95	9.99	-73.30
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012664107	0	61	0.0	-65.41	447.15	12.30	-53.11
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012664108	0	66	0.0	-76.62	475.75	11.04	-65.58
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012664109	0	63	0.0	-63.05	460.18	12.67	-50.38
CC1=CC=C(C(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C(=O)[O-])C=C1	REAL300012664110	0	60	0.0	-77.46	452.56	10.54	-66.92
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012664111	0	53	0.0	-70.80	411.55	8.46	-62.34
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012664112	0	58	0.0	-78.01	422.86	9.67	-68.34
COCC(C)(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664113	0	57	0.0	-80.78	418.00	7.43	-73.35
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CCC(C)C)CC1	REAL300012664114	0	60	0.0	-73.56	438.61	9.18	-64.38
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012664115	0	59	0.0	-63.13	429.47	10.65	-52.48
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012664116	0	54	0.0	-64.69	397.28	10.14	-54.55
CC(C)CC[NH+]1CCC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012664117	0	56	0.0	-63.44	433.18	10.72	-52.72
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012664118	0	55	0.0	-77.33	401.14	6.28	-71.05
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012664119	0	63	0.0	-79.27	448.69	10.05	-69.22
CC(C)CC[NH+]1CCC(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012664120	0	64	0.0	-75.60	464.93	10.54	-65.06
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012664121	0	58	0.0	-81.18	416.59	7.48	-73.70
C=CCCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664122	0	57	0.0	-75.48	429.69	9.15	-66.33
CC(C)CC[NH+]1CCC(CNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012664123	0	50	0.0	-64.42	377.40	6.76	-57.66
CC(C)CC[NH+]1CCC(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012664124	0	63	0.0	-54.95	462.33	13.58	-41.37
CC(C)CC[NH+]1CCC(CNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012664125	0	53	0.0	-71.74	386.64	8.84	-62.90
CCC(CC)(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664126	0	59	0.0	-79.34	416.43	9.03	-70.31
COC1=CC=C(C(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C(=O)[O-])C=C1	REAL300012664127	0	61	0.0	-77.71	461.25	9.12	-68.59
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[NH+](CCC(C)C)CC1	REAL300012664128	0	59	0.0	-62.88	424.27	10.92	-51.96
CCC(COC)(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664129	0	60	0.0	-82.24	434.44	8.34	-73.90
CC(C)CC[NH+]1CCC(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012664130	0	63	0.0	-73.35	458.27	9.84	-63.51
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012664131	0	57	0.0	-77.81	427.74	9.19	-68.62
COCCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664132	0	57	0.0	-76.22	429.29	6.83	-69.39
CC(C)CC[NH+]1CCC(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012664133	0	62	0.0	-73.57	446.35	11.32	-62.25
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012664134	0	53	0.0	-75.24	407.73	8.11	-67.13
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CCC(C)C)CC1	REAL300012664135	0	63	0.0	-85.86	446.21	12.19	-73.67
CCCN(C(=O)NCC1CC[NH+](CCC(C)C)CC1)C(C)C(=O)[O-]	REAL300012664136	0	59	0.0	-77.10	428.01	11.06	-66.04
CC(C)CC[NH+]1CCC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012664137	0	63	0.0	-55.58	464.09	13.46	-42.12
CCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012664138	0	63	0.0	-81.05	456.55	11.51	-69.54
COC1CCCC(C(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C(=O)[O-])C1	REAL300012664139	0	67	0.0	-81.31	481.14	9.05	-72.26
CC(C)CC[NH+]1CCC(CNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012664140	0	53	0.0	-74.73	402.21	7.91	-66.82
COC1(CC(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C(=O)[O-])CCC1	REAL300012664141	0	64	0.0	-77.81	465.36	9.19	-68.62
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012664142	0	61	0.0	-63.48	438.34	9.49	-53.99
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012664143	0	63	0.0	-63.16	447.27	11.87	-51.29
CC(C)CC[NH+]1CCC(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012664144	0	63	0.0	-82.55	438.93	10.36	-72.19
COC1=CC=CC(C(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C(=O)[O-])=C1	REAL300012664145	0	61	0.0	-80.39	461.30	9.12	-71.27
CC(C)CC[NH+]1CCC(CNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012664146	0	56	0.0	-74.81	406.34	8.28	-66.53
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012664147	0	58	0.0	-64.94	428.98	10.36	-54.58
CC(C)CC[NH+]1CCC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012664148	0	54	0.0	-78.52	409.48	9.43	-69.09
COC1=CC=CC([C@H](NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C(=O)[O-])=C1	REAL300012664149	0	61	0.0	-80.91	460.68	9.15	-71.76
CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012664150	0	53	0.0	-71.75	386.65	8.84	-62.91
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1	REAL300012664151	0	63	0.0	-86.64	460.41	11.57	-75.07
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012664152	0	66	0.0	-81.89	453.05	10.85	-71.04
CC(C)CC[NH+]1CCC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012664153	0	55	0.0	-89.83	401.63	10.31	-79.52
COC1CN(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C(C)(C(=O)[O-])C1	REAL300012664154	0	61	0.0	-82.89	444.77	9.20	-73.69
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012664155	0	64	0.0	-77.23	466.78	8.66	-68.57
CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012664156	0	59	0.0	-77.52	426.41	8.88	-68.64
C=C(Cl)CC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664157	0	54	0.0	-71.91	423.85	8.95	-62.96
C=C(C)CC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664158	0	57	0.0	-76.86	428.76	9.07	-67.79
CC(C)CC[NH+]1CCC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012664159	0	58	0.0	-92.06	416.17	11.14	-80.92
CC(C)CC[NH+]1CCC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012664160	0	54	0.0	-76.68	408.16	9.53	-67.15
CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012664161	0	54	0.0	-80.39	400.82	9.78	-70.61
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1	REAL300012664162	0	55	0.0	-83.52	408.56	9.76	-73.76
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012664163	0	64	0.0	-79.33	467.08	8.58	-70.75
CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012664164	0	59	0.0	-76.65	434.32	9.06	-67.59
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012664165	0	61	0.0	-79.29	440.13	7.61	-71.68
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012664166	0	57	0.0	-78.08	431.75	9.83	-68.25
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012664167	0	57	0.0	-77.81	427.74	9.19	-68.62
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012664168	0	56	0.0	-75.17	440.59	7.94	-67.23
CC(C)CCCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664169	0	65	0.0	-75.64	477.44	10.67	-64.97
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012664170	0	61	0.0	-81.92	451.57	8.22	-73.70
CSCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664171	0	54	0.0	-74.05	419.32	8.11	-65.94
COC[C@H](NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664172	0	54	0.0	-77.55	407.48	6.01	-71.54
CC[C@H](NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664173	0	53	0.0	-76.33	395.62	7.76	-68.57
CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012664174	0	60	0.0	-76.07	460.46	10.85	-65.22
CCC(C)CC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664175	0	62	0.0	-76.93	452.68	9.71	-67.22
C=CCCCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664176	0	60	0.0	-75.71	451.18	9.94	-65.77
CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012664177	0	60	0.0	-76.85	459.56	10.86	-65.99
CC(C)CC[NH+]1CCC(CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012664178	0	55	0.0	-85.14	405.75	10.73	-74.41
CC(C)CC[NH+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012664179	0	60	0.0	-78.92	439.58	10.62	-68.30
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012664180	0	54	0.0	-83.30	395.61	9.40	-73.90
CCCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664181	0	56	0.0	-75.85	416.88	8.59	-67.26
CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300012664182	0	56	0.0	-77.00	410.75	8.37	-68.63
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012664183	0	58	0.0	-90.54	416.39	11.21	-79.33
CCN(C(=O)NCC1CC[NH+](CCC(C)C)CC1)C(C)(C)C(=O)[O-]	REAL300012664184	0	59	0.0	-80.07	420.34	10.54	-69.53
CCCN(C(=O)NCC1CC[NH+](CCC(C)C)CC1)C(C)C(=O)[O-]	REAL300012664185	0	59	0.0	-77.10	428.01	11.06	-66.04
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012664186	0	53	0.0	-71.60	408.17	10.09	-61.51
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012664187	0	53	0.0	-71.60	408.17	10.09	-61.51
CC(C)CC[NH+]1CCC(CNC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012664188	0	56	0.0	-80.16	400.76	9.68	-70.48
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012664189	0	54	0.0	-84.65	394.84	9.72	-74.93
CC(C)CC[NH+]1CCC(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012664190	0	66	0.0	-64.32	481.88	8.06	-56.26
CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012664191	0	55	0.0	-86.95	406.87	6.03	-80.92
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CC[NH+](CCC(C)C)CC1	REAL300012664192	0	61	0.0	-58.42	448.67	12.71	-45.71
CCC[C@@H](NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664193	0	56	0.0	-75.72	416.87	8.59	-67.13
CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012664194	0	57	0.0	-78.69	431.55	9.92	-68.77
CC(C)CC[NH+]1CCC(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012664195	0	62	0.0	-77.61	471.66	9.85	-67.76
C=CCCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664196	0	57	0.0	-75.48	429.69	9.15	-66.33
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012664197	0	56	0.0	-81.24	440.54	7.77	-73.47
CC(C)CC[NH+]1CCC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012664198	0	57	0.0	-94.51	425.34	7.28	-87.23
CC(C)CC[NH+]1CCC(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012664199	0	58	0.0	-78.61	422.42	8.97	-69.64
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012664200	0	57	0.0	-84.57	411.49	10.24	-74.33
CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300012664201	0	56	0.0	-75.48	406.75	8.07	-67.41
CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012664202	0	57	0.0	-77.41	431.15	9.86	-67.55
CC(C)CC[NH+]1CCC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012664203	0	60	0.0	-81.32	441.24	9.17	-72.15
CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012664204	0	53	0.0	-71.75	386.65	8.84	-62.91
CCC[C@H](NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664205	0	56	0.0	-76.30	417.12	8.53	-67.77
CCN(C(=O)NCC1CC[NH+](CCC(C)C)CC1)C(C)C(=O)[O-]	REAL300012664206	0	56	0.0	-72.25	403.33	9.62	-62.63
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012664207	0	60	0.0	-61.74	423.82	10.94	-50.80
CC(C)CC[NH+]1CCC(CNC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300012664208	0	56	0.0	-76.99	406.84	9.27	-67.72
CC[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664209	0	59	0.0	-77.63	425.20	8.70	-68.93
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CCC(C)C)CC1	REAL300012664210	0	56	0.0	-74.08	406.00	9.92	-64.16
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012664211	0	58	0.0	-83.06	429.01	5.75	-77.31
CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012664212	0	66	0.0	-78.69	479.09	9.08	-69.61
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012664213	0	60	0.0	-82.46	432.15	9.54	-72.92
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012664214	0	63	0.0	-82.76	441.16	10.23	-72.53
COCCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664215	0	57	0.0	-76.22	429.29	6.83	-69.39
CC(C)CC[NH+]1CCC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012664216	0	63	0.0	-74.85	463.13	12.82	-62.03
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012664217	0	60	0.0	-83.99	433.63	10.22	-73.77
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012664218	0	57	0.0	-77.71	424.43	8.84	-68.87
CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012664219	0	66	0.0	-80.04	479.97	9.00	-71.04
CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012664220	0	55	0.0	-91.57	406.82	6.18	-85.39
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012664221	0	58	0.0	-77.93	422.40	6.80	-71.13
CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012664222	0	58	0.0	-87.88	416.53	10.82	-77.06
CC(C)CC[NH+]1CCC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012664223	0	56	0.0	-85.54	409.01	8.51	-77.03
CC(C)CC[NH+]1CCC(CNC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012664224	0	60	0.0	-88.39	426.55	11.55	-76.84
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012664225	0	63	0.0	-78.73	470.77	11.20	-67.53
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012664226	0	64	0.0	-76.27	467.48	10.92	-65.35
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012664227	0	57	0.0	-78.73	422.39	8.81	-69.92
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012664228	0	63	0.0	-79.27	448.69	10.05	-69.22
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012664229	0	57	0.0	-78.73	422.39	8.81	-69.92
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012664230	0	57	0.0	-84.62	415.74	9.98	-74.64
C=CCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664231	0	54	0.0	-75.96	408.90	8.23	-67.73
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012664232	0	64	0.0	-77.79	467.86	9.49	-68.30
CC(C)CC[NH+]1CCC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012664233	0	64	0.0	-59.20	441.95	11.50	-47.70
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012664234	0	64	0.0	-82.27	445.67	8.78	-73.49
CC(C)CC[NH+]1CCC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012664235	0	58	0.0	-61.15	417.62	10.73	-50.42
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012664236	0	64	0.0	-76.27	467.48	10.92	-65.35
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012664237	0	60	0.0	-79.23	460.22	10.91	-68.32
COC1CC(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)(C(=O)[O-])C1	REAL300012664238	0	58	0.0	-85.29	430.21	7.44	-77.85
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012664239	0	54	0.0	-79.51	405.17	8.50	-71.01
CO[C@H]1C[C@](NC(=O)NCC2CC[NH+](CCC(C)C)CC2)(C(=O)[O-])C1	REAL300012664240	0	58	0.0	-78.78	428.64	7.39	-71.39
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012664241	0	57	0.0	-74.33	436.85	9.25	-65.08
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](CCC(C)C)CC1	REAL300012664242	0	60	0.0	-85.53	427.28	11.38	-74.15
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012664243	0	53	0.0	-70.80	411.55	8.46	-62.34
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012664244	0	61	0.0	-78.13	449.18	7.85	-70.28
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012664245	0	52	0.0	-75.43	387.72	5.51	-69.92
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012664246	0	57	0.0	-77.80	445.93	9.82	-67.98
CC(C)CC[NH+]1CCC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012664247	0	59	0.0	-77.65	416.49	8.83	-68.82
CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012664248	0	55	0.0	-88.91	401.68	10.88	-78.03
CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012664249	0	58	0.0	-85.18	418.00	10.48	-74.70
CC(C)CC[NH+]1CCC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012664250	0	63	0.0	-55.58	464.09	13.46	-42.12
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012664251	0	66	0.0	-76.62	475.75	11.04	-65.58
CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012664252	0	63	0.0	-76.80	476.19	11.56	-65.24
CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012664253	0	63	0.0	-77.36	477.02	11.56	-65.80
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012664254	0	64	0.0	-77.41	456.06	10.43	-66.98
CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012664255	0	66	0.0	-78.20	475.74	11.05	-67.15
CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012664256	0	66	0.0	-76.55	475.75	11.04	-65.51
CC(C)CC[NH+]1CCC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012664257	0	64	0.0	-57.72	456.25	11.66	-46.06
CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012664258	0	64	0.0	-87.84	453.63	11.41	-76.43
C=CCSCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664259	0	58	0.0	-73.53	453.35	9.64	-63.89
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[NH+](CCC(C)C)CC1	REAL300012664260	0	59	0.0	-72.88	420.33	10.58	-62.30
COC1(C(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C(=O)[O-])CCC1	REAL300012664261	0	61	0.0	-73.45	443.24	7.43	-66.02
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012664262	0	57	0.0	-84.35	428.98	9.27	-75.08
CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012664264	0	54	0.0	-80.39	400.82	9.78	-70.61
CC(C)CC[NH+]1CCC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012664265	0	56	0.0	-58.03	410.92	10.53	-47.50
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012664266	0	60	0.0	-86.86	430.52	10.33	-76.53
CC(C)CC[NH+]1CCC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012664267	0	64	0.0	-87.82	451.01	12.38	-75.44
CC(C)CCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664268	0	62	0.0	-76.40	456.18	9.83	-66.57
CC(C)CC[NH+]1CCC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012664269	0	61	0.0	-60.85	442.18	11.12	-49.73
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012664270	0	61	0.0	-78.13	449.18	7.85	-70.28
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1	REAL300012664271	0	58	0.0	-81.51	438.08	10.89	-70.62
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012664272	0	61	0.0	-81.97	433.70	10.36	-71.61
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012664273	0	58	0.0	-84.02	418.11	9.71	-74.31
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012664274	0	61	0.0	-80.70	439.84	10.13	-70.57
CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012664275	0	63	0.0	-74.97	462.61	12.71	-62.26
CC(C)CC[NH+]1CCC(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012664276	0	67	0.0	-56.26	470.31	12.15	-44.11
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012664277	0	60	0.0	-78.56	431.79	9.35	-69.21
CO[C@H](C)[C@H](NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664278	0	57	0.0	-78.42	425.13	7.00	-71.42
CC(C)CC[NH+]1CCC(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012664279	0	57	0.0	-84.20	419.06	9.55	-74.65
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012664280	0	60	0.0	-61.53	452.55	12.59	-48.94
CC(C)CC[NH+]1CCC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012664281	0	60	0.0	-61.12	434.23	10.48	-50.64
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012664282	0	57	0.0	-84.80	417.02	10.82	-73.98
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012664283	0	54	0.0	-86.15	406.50	9.85	-76.30
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012664284	0	60	0.0	-79.23	460.22	10.91	-68.32
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012664285	0	57	0.0	-76.63	444.62	9.75	-66.88
CC(C)CC[NH+]1CCC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012664286	0	57	0.0	-75.63	423.56	10.35	-65.28
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012664287	0	57	0.0	-76.63	444.62	9.75	-66.88
CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012664288	0	61	0.0	-87.51	433.70	10.88	-76.63
COCCCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664289	0	60	0.0	-75.40	450.55	7.66	-67.74
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](CCC(C)C)CC1	REAL300012664290	0	59	0.0	-72.30	428.59	10.68	-61.62
CCOCC(NC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300012664291	0	57	0.0	-77.75	429.20	7.03	-70.72
CC(C)CC[NH+]1CCC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012664292	0	62	0.0	-78.43	446.48	10.15	-68.28
CC(C)CC[NH+]1CCC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012664293	0	61	0.0	-80.10	444.36	7.92	-72.18
CC(C)CC[NH+]1CCC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012664294	0	61	0.0	-81.18	449.74	11.02	-70.16
CC(C)CC[NH+]1CCC(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012664295	0	58	0.0	-86.42	417.55	9.29	-77.13
CC(C)CC[NH+]1CCC(CNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012664296	0	54	0.0	-76.88	416.48	8.26	-68.62
CC(C)CC[NH+]1CCC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012664297	0	57	0.0	-64.84	434.21	10.73	-54.11
CC(C)CC[NH+]1CCC(CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012664298	0	53	0.0	-73.49	385.57	8.78	-64.71
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1	REAL300012664299	0	61	0.0	-81.27	449.15	9.76	-71.51
O=C([O-])CNC(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300012664300	1	42	0.0	-71.88	352.88	6.71	-65.17
CCC(NC(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1)C(=O)[O-]	REAL300012664301	1	48	0.0	-79.87	395.25	8.60	-71.27
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300012664302	1	45	0.0	-80.17	371.89	9.43	-70.74
CC(NC(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1)C(=O)[O-]	REAL300012664303	1	45	0.0	-72.40	373.50	7.55	-64.85
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300012664304	1	45	0.0	-80.17	371.89	9.43	-70.74
CC(C)(NC(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1)C(=O)[O-]	REAL300012664305	1	48	0.0	-71.04	386.24	7.92	-63.12
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300012664306	1	48	0.0	-78.03	393.70	10.41	-67.62
C[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1)C(=O)[O-]	REAL300012664307	1	45	0.0	-69.81	373.94	7.57	-62.24
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300012664308	1	48	0.0	-78.03	393.70	10.41	-67.62
C[C@@H](NC(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1)C(=O)[O-]	REAL300012664309	1	45	0.0	-72.18	373.95	7.57	-64.61
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(Br)C=C3)CC2)CC1	REAL300012664310	1	46	0.0	-84.55	380.10	8.78	-75.77
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300012664311	1	48	0.0	-76.91	386.81	9.67	-67.24
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300012664312	1	48	0.0	-76.94	385.73	9.60	-67.34
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300012664313	1	48	0.0	-76.94	385.73	9.60	-67.34
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300012664314	1	48	0.0	-73.98	385.73	9.60	-64.38
CC[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1)C(=O)[O-]	REAL300012664315	1	48	0.0	-75.63	394.94	8.61	-67.02
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300012664316	1	48	0.0	-73.98	385.73	9.60	-64.38
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300012664317	1	48	0.0	-76.91	386.81	9.67	-67.24
CN1C=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N=N1	REAL300012664882	0	52	0.0	-68.97	404.26	4.43	-64.54
CN(C)C1=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=N1	REAL300012665140	0	56	0.0	-69.08	437.47	7.88	-61.20
CC(C)C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665268	1	56	0.0	-74.75	393.75	5.03	-69.72
C=CCOCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665269	1	55	0.0	-75.36	401.66	3.52	-71.84
C=CC(C)C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665270	1	54	0.0	-73.65	386.58	4.87	-68.78
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCOCC1	REAL300012665271	1	58	0.0	-72.21	408.15	2.98	-69.23
COC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C(C(=O)[O-])C1	REAL300012665272	1	58	0.0	-80.67	400.73	5.07	-75.60
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCCOC1	REAL300012665273	1	58	0.0	-74.13	404.99	3.82	-70.31
CC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C(C(=O)[O-])C1	REAL300012665274	1	57	0.0	-79.68	388.52	6.47	-73.21
CCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665275	1	53	0.0	-53.63	377.55	5.52	-48.11
CC(C(=O)[O-])N(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCC1	REAL300012665276	1	57	0.0	-78.36	368.82	7.47	-70.89
CCCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(COC)C(=O)[O-]	REAL300012665277	1	60	0.0	-69.96	420.80	6.47	-63.49
CCCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(CC)C(=O)[O-]	REAL300012665278	1	59	0.0	-46.45	398.80	7.16	-39.29
CC(C)C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665279	1	53	0.0	-73.05	369.22	4.28	-68.77
O=C([O-])C1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665280	1	54	0.0	-80.09	368.41	6.08	-74.01
O=C([O-])C1CSCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665281	1	52	0.0	-78.58	368.58	6.04	-72.54
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCCC1	REAL300012665282	1	57	0.0	-75.53	387.62	5.16	-70.37
O=C([O-])C1CCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665283	1	51	0.0	-78.19	356.52	4.83	-73.36
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCC1	REAL300012665284	1	54	0.0	-70.26	372.78	4.01	-66.25
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCCCC1	REAL300012665285	1	60	0.0	-76.97	393.31	5.83	-71.14
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665286	1	57	0.0	-76.75	413.42	6.75	-70.00
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665287	1	57	0.0	-57.73	411.49	8.54	-49.19
O=C([O-])CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665288	1	44	0.0	-61.89	312.43	1.89	-60.00
O=C([O-])[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1=CC=CC=C1	REAL300012665289	1	54	0.0	-72.45	391.22	5.80	-66.65
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1=CC=CC=C1	REAL300012665290	1	54	0.0	-72.46	391.20	5.80	-66.66
CCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665291	1	50	0.0	-74.40	355.05	3.73	-70.67
CC(C)C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665292	1	53	0.0	-73.05	369.22	4.28	-68.77
CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665293	1	47	0.0	-70.91	330.62	4.54	-66.37
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665294	1	57	0.0	-76.75	413.42	6.75	-70.00
CC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665295	1	47	0.0	-63.14	333.22	2.72	-60.42
CCC(C)C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665296	1	56	0.0	-73.37	387.24	4.90	-68.47
CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665297	1	47	0.0	-70.91	330.62	4.54	-66.37
O=C([O-])C1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665298	1	54	0.0	-80.09	368.41	6.08	-74.01
CCCC(C)(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665299	1	56	0.0	-70.83	380.68	4.86	-65.97
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665300	1	53	0.0	-54.59	366.28	5.02	-49.57
O=C([O-])CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CC1	REAL300012665301	1	51	0.0	-47.48	356.35	6.09	-41.39
C=CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665302	1	51	0.0	-53.31	368.87	5.32	-47.99
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665303	1	56	0.0	-53.11	391.97	5.82	-47.29
CC(C)(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665304	1	50	0.0	-60.97	345.79	3.12	-57.85
CC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)(C(=O)[O-])C1CC1	REAL300012665305	1	54	0.0	-71.49	371.70	4.07	-67.42
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1=CC=CS1	REAL300012665306	1	51	0.0	-70.35	382.84	4.88	-65.47
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCCC1	REAL300012665307	1	57	0.0	-75.53	387.62	5.16	-70.37
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665308	1	53	0.0	-54.59	366.28	5.02	-49.57
CCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665309	1	53	0.0	-53.63	377.55	5.52	-48.11
CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665310	1	50	0.0	-65.53	356.06	4.75	-60.78
CC[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665311	1	56	0.0	-74.66	385.56	4.73	-69.93
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCC1	REAL300012665312	1	54	0.0	-70.26	372.78	4.01	-66.25
CCC(C)(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665313	1	53	0.0	-70.58	359.18	4.10	-66.48
CC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012665314	1	57	0.0	-75.69	399.05	6.62	-69.07
C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665315	1	47	0.0	-63.13	333.22	2.72	-60.41
CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665316	1	50	0.0	-65.53	356.06	4.75	-60.78
CCCCCCC(C)(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665317	1	65	0.0	-70.97	445.18	7.19	-63.78
C[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665318	1	47	0.0	-57.93	336.29	1.92	-56.01
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1	REAL300012665319	1	48	0.0	-76.10	342.46	3.15	-72.95
O=C([O-])C1COCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665320	1	52	0.0	-77.00	359.36	3.53	-73.47
CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1(C(=O)[O-])CCCCC1	REAL300012665321	1	60	0.0	-71.97	396.55	6.43	-65.54
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CC1	REAL300012665322	1	51	0.0	-73.32	361.95	4.21	-69.11
CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012665323	1	57	0.0	-71.53	398.38	7.38	-64.15
COCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665324	1	54	0.0	-53.70	387.43	3.94	-49.76
O=C([O-])[C@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665325	1	51	0.0	-78.30	354.59	5.33	-72.97
O=C([O-])[C@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665326	1	54	0.0	-79.37	367.86	5.98	-73.39
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665327	1	50	0.0	-67.16	345.54	4.78	-62.38
O=C([O-])[C@@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665328	1	51	0.0	-81.59	353.82	5.65	-75.94
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC1	REAL300012665329	1	51	0.0	-71.88	358.90	3.63	-68.25
C=CCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665330	1	51	0.0	-73.12	367.53	4.19	-68.93
CC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665331	1	54	0.0	-81.55	370.96	6.20	-75.35
O=C([O-])C1CCCCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665332	1	57	0.0	-73.97	382.41	6.69	-67.28
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CC1	REAL300012665333	1	51	0.0	-73.32	361.95	4.21	-69.11
CC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665334	1	50	0.0	-67.10	345.52	4.78	-62.32
CCCCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665335	1	56	0.0	-74.40	398.04	5.27	-69.13
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665336	1	54	0.0	-77.92	373.95	5.39	-72.53
O=C([O-])CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCCC1	REAL300012665337	1	57	0.0	-52.87	392.39	6.33	-46.54
COCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665338	1	51	0.0	-75.10	366.42	1.96	-73.14
CCCCCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665339	1	59	0.0	-74.38	419.54	6.06	-68.32
CCC1CCC(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)(C(=O)[O-])CC1	REAL300012665340	1	63	0.0	-69.34	426.70	6.41	-62.93
O=C([O-])CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCOCC1	REAL300012665341	1	58	0.0	-53.49	400.83	4.66	-48.83
CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1(C(=O)[O-])CCCC1	REAL300012665342	1	57	0.0	-78.96	383.23	5.71	-73.25
CC(C(=O)[O-])N(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CC1	REAL300012665343	1	54	0.0	-64.00	366.57	5.00	-59.00
CCC(C(=O)[O-])N(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CC1	REAL300012665344	1	57	0.0	-52.41	394.73	6.50	-45.91
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1=CC=CC=C1F	REAL300012665345	1	54	0.0	-81.12	395.62	5.91	-75.21
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665346	1	63	0.0	-74.64	434.54	6.94	-67.70
CC1=CC=C(C(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C(=O)[O-])C=C1	REAL300012665347	1	57	0.0	-72.46	412.64	6.46	-66.00
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665348	1	50	0.0	-67.61	370.15	4.46	-63.15
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCSCC1	REAL300012665349	1	55	0.0	-71.66	385.27	4.84	-66.82
COCC(C)(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665350	1	54	0.0	-75.25	377.43	3.39	-71.86
CCOCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665351	1	57	0.0	-70.88	397.34	5.21	-65.67
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665352	1	56	0.0	-53.11	391.97	5.82	-47.29
O=C([O-])CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CC1	REAL300012665353	1	51	0.0	-47.48	356.35	6.09	-41.39
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665354	1	53	0.0	-54.75	395.69	5.90	-48.85
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCOC1	REAL300012665355	1	52	0.0	-65.67	363.75	1.45	-64.22
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCCCC1	REAL300012665356	1	60	0.0	-72.23	408.12	6.01	-66.22
CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(COC1CCC1)C(=O)[O-]	REAL300012665357	1	61	0.0	-71.63	425.19	6.54	-65.09
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCOCC1	REAL300012665358	1	55	0.0	-69.86	378.71	2.63	-67.23
C=CCCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665359	1	54	0.0	-73.26	388.53	5.08	-68.18
O=C([O-])C(CF)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665360	1	47	0.0	-60.47	336.67	2.75	-57.72
CC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665361	1	50	0.0	-67.10	345.52	4.78	-62.32
CCC(CC)(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665362	1	56	0.0	-71.70	375.57	5.00	-66.70
CCC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665363	1	56	0.0	-52.86	386.77	6.09	-46.77
CCC(COC)(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665364	1	57	0.0	-80.35	394.10	4.29	-76.06
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665365	1	60	0.0	-70.89	417.06	5.84	-65.05
O=C([O-])C(CC1CC1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665366	1	54	0.0	-71.27	387.17	5.15	-66.12
COCCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665367	1	54	0.0	-74.66	388.72	2.79	-71.87
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665368	1	59	0.0	-70.86	402.82	7.25	-63.61
O=C([O-])C(CC(F)F)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665369	1	50	0.0	-68.93	365.66	4.26	-64.67
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665370	1	60	0.0	-78.16	408.25	8.05	-70.11
CCCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(C)C(=O)[O-]	REAL300012665371	1	56	0.0	-62.94	387.01	5.40	-57.54
O=C([O-])C(CCF)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665372	1	50	0.0	-73.43	361.64	3.86	-69.57
COC1(CC(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C(=O)[O-])CCC1	REAL300012665373	1	61	0.0	-75.96	425.07	5.10	-70.86
O=C([O-])CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCOCC1	REAL300012665374	1	58	0.0	-53.49	400.83	4.66	-48.83
O=C([O-])CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCCCC1	REAL300012665375	1	60	0.0	-53.13	409.78	7.03	-46.10
C[C@H]1CC[C@@](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)(C(=O)[O-])CC1	REAL300012665376	1	60	0.0	-79.08	398.36	6.33	-72.75
CC(CCF)(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665377	1	53	0.0	-67.77	365.77	4.24	-63.53
O=C([O-])C1C2=C(CCN1C(=O)NCC1([NH+]3CCOCC3)CCOCC1)OC=C2	REAL300012665378	1	55	0.0	-50.63	391.45	5.59	-45.04
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665379	1	51	0.0	-72.20	367.56	5.50	-66.70
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665380	1	50	0.0	-66.89	348.22	4.01	-62.88
CC1(C)CCCC(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)(C(=O)[O-])C1	REAL300012665381	1	63	0.0	-71.71	415.21	5.99	-65.72
O=C([O-])C12CC(C1)CN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665382	1	52	0.0	-82.42	363.84	5.44	-76.98
COC1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C(C)(C(=O)[O-])C1	REAL300012665383	1	58	0.0	-78.73	407.20	4.37	-74.36
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665384	1	61	0.0	-70.72	426.20	4.64	-66.08
CC(C)(C)[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665385	1	56	0.0	-75.16	385.17	4.92	-70.24
C=C(Cl)CC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665386	1	51	0.0	-75.06	383.48	4.81	-70.25
C=C(C)CC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665387	1	54	0.0	-73.98	388.06	4.95	-69.03
O=C([O-])C12CCC(CC1)N2C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665388	1	55	0.0	-87.51	375.48	7.09	-80.42
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665389	1	51	0.0	-74.93	367.52	5.53	-69.40
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665390	1	51	0.0	-76.41	363.02	4.90	-71.51
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	REAL300012665391	1	52	0.0	-78.35	370.76	4.87	-73.48
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665392	1	61	0.0	-70.79	422.06	5.28	-65.51
CC(C)C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665393	1	56	0.0	-74.75	393.75	5.03	-69.72
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCOCC1	REAL300012665394	1	58	0.0	-72.21	408.15	2.98	-69.23
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1=CC=CC=C1	REAL300012665395	1	54	0.0	-72.46	391.20	5.80	-66.66
O=C([O-])C(CC1CC1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665396	1	54	0.0	-71.27	387.17	5.15	-66.12
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665397	1	53	0.0	-71.94	399.20	3.92	-68.02
CC(C)CCCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665398	1	62	0.0	-74.41	437.11	6.57	-67.84
O=C([O-])C(CC1CCCO1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665399	1	58	0.0	-70.20	414.31	3.32	-66.88
CSCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665400	1	51	0.0	-71.04	378.52	4.14	-66.90
COC[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665401	1	51	0.0	-75.54	366.90	1.97	-73.57
CC[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665402	1	50	0.0	-73.96	354.80	3.79	-70.17
CCC(C)CC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665403	1	59	0.0	-74.51	411.19	5.80	-68.71
C=CCCCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665404	1	57	0.0	-73.11	410.02	5.87	-67.24
O=C([O-])C1CSCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665405	1	52	0.0	-78.58	368.58	6.04	-72.54
CC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012665406	1	57	0.0	-75.69	399.05	6.62	-69.07
O=C([O-])[C@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665407	1	51	0.0	-78.30	354.59	5.33	-72.97
CCCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665408	1	53	0.0	-74.36	376.54	4.49	-69.87
CC(C)[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665409	1	53	0.0	-70.25	370.17	4.34	-65.91
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665410	1	55	0.0	-82.13	378.77	6.45	-75.68
CCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(C)(C)C(=O)[O-]	REAL300012665411	1	56	0.0	-69.00	382.05	5.71	-63.29
CCCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(C)C(=O)[O-]	REAL300012665412	1	56	0.0	-62.94	387.01	5.40	-57.54
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665413	1	50	0.0	-61.89	370.67	5.26	-56.63
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665414	1	50	0.0	-61.89	370.67	5.26	-56.63
CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(C)(C)C(=O)[O-]	REAL300012665415	1	53	0.0	-74.60	359.70	5.62	-68.98
O=C([O-])[C@@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665416	1	51	0.0	-81.59	353.82	5.65	-75.94
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665417	1	52	0.0	-80.84	368.89	1.15	-79.69
CCC[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665418	1	53	0.0	-71.22	376.55	4.48	-66.74
O=C([O-])[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1=CC=CC=C1	REAL300012665419	1	54	0.0	-72.45	391.22	5.80	-66.65
C=CCCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665420	1	54	0.0	-73.26	388.53	5.08	-68.18
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665421	1	53	0.0	-73.88	399.76	3.79	-70.09
CN1CC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1=O	REAL300012665422	1	55	0.0	-70.06	384.94	4.12	-65.94
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665423	1	54	0.0	-77.29	370.94	6.23	-71.06
CC(C)[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665424	1	53	0.0	-73.10	369.24	4.29	-68.81
O=C([O-])[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1=CC=CC=C1	REAL300012665425	1	54	0.0	-74.27	390.57	5.84	-68.43
CC(CN1C=CC=N1)(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665426	1	57	0.0	-74.21	404.62	5.22	-68.99
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665427	1	50	0.0	-66.89	348.22	4.01	-62.88
CCC[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665428	1	53	0.0	-70.23	378.79	3.72	-66.51
CCN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(C)C(=O)[O-]	REAL300012665429	1	53	0.0	-62.62	365.83	4.79	-57.83
O=C([O-])CN(C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCCC1	REAL300012665430	1	57	0.0	-52.87	392.39	6.33	-46.54
CC(CN(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665431	1	53	0.0	-78.56	365.97	5.45	-73.11
CC[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665432	1	56	0.0	-74.66	385.56	4.73	-69.93
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665433	1	53	0.0	-70.16	366.01	5.77	-64.39
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC(CO)C1	REAL300012665434	1	55	0.0	-75.25	391.53	0.96	-74.29
CC1CCC(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)(C(=O)[O-])C1	REAL300012665435	1	57	0.0	-70.48	392.96	4.65	-65.83
CC1(C)CCCC1(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665436	1	60	0.0	-79.54	398.91	6.09	-73.45
COCCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665437	1	54	0.0	-74.66	388.72	2.79	-71.87
CC1(C)CC(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)(C(=O)[O-])C1	REAL300012665438	1	57	0.0	-71.61	395.67	5.38	-66.23
CC1(C(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C(=O)[O-])CC1	REAL300012665439	1	54	0.0	-73.57	378.65	5.09	-68.48
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665440	1	52	0.0	-83.52	364.49	2.16	-81.36
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCOC1	REAL300012665441	1	55	0.0	-69.46	390.35	1.98	-67.48
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665442	1	55	0.0	-82.91	378.91	5.97	-76.94
O=C([O-])C12COC(CN1C(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2	REAL300012665443	1	53	0.0	-78.57	370.86	3.73	-74.84
CC1CCC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	REAL300012665444	1	57	0.0	-80.47	384.42	6.99	-73.48
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665445	1	61	0.0	-71.30	423.29	7.55	-63.75
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCC1	REAL300012665446	1	54	0.0	-75.58	375.70	4.63	-70.95
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCCCC1	REAL300012665447	1	60	0.0	-72.23	408.12	6.01	-66.22
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCC1	REAL300012665448	1	54	0.0	-75.58	375.70	4.63	-70.95
CC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1C(=O)[O-]	REAL300012665449	1	54	0.0	-78.56	377.47	5.44	-73.12
C=CCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665450	1	51	0.0	-73.12	367.53	4.19	-68.93
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665451	1	61	0.0	-78.34	429.26	4.91	-73.43
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665452	1	61	0.0	-43.26	406.60	7.47	-35.79
CC1(C)CC(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)(C(=O)[O-])CCO1	REAL300012665453	1	61	0.0	-77.28	408.20	3.98	-73.30
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665454	1	55	0.0	-40.63	366.18	6.14	-34.49
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665455	1	61	0.0	-71.30	423.29	7.55	-63.75
COC1CC(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)(C(=O)[O-])C1	REAL300012665456	1	55	0.0	-66.89	390.81	2.54	-64.35
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC(F)(F)C1	REAL300012665457	1	51	0.0	-70.03	367.68	3.68	-66.35
CO[C@H]1C[C@](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)(C(=O)[O-])C1	REAL300012665458	1	55	0.0	-76.22	388.24	3.71	-72.51
CCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665459	1	57	0.0	-84.52	387.02	7.50	-77.02
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665460	1	50	0.0	-67.61	370.15	4.46	-63.15
O=C([O-])C(CC1CCOC1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665461	1	58	0.0	-75.36	409.14	3.86	-71.50
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)COC1	REAL300012665462	1	49	0.0	-69.12	350.05	0.71	-68.41
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665463	1	54	0.0	-70.24	405.67	5.72	-64.52
CC(C)C(C)(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665464	1	56	0.0	-71.17	374.11	4.73	-66.44
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665465	1	52	0.0	-79.74	363.15	6.00	-73.74
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665466	1	55	0.0	-79.47	380.44	5.65	-73.82
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665467	1	63	0.0	-74.64	434.54	6.94	-67.70
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CC2CCC1C2	REAL300012665468	1	61	0.0	-67.82	420.85	5.77	-62.05
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665469	1	63	0.0	-71.60	435.33	6.99	-64.61
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665470	1	63	0.0	-75.36	435.33	7.00	-68.36
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665471	1	61	0.0	-52.89	416.46	7.57	-45.32
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665472	1	61	0.0	-80.61	411.34	7.41	-73.20
C=CCSCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665473	1	55	0.0	-70.33	412.12	5.64	-64.69
CCC(C(=O)[O-])N(CC)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665474	1	56	0.0	-68.89	383.03	5.76	-63.13
COC1(C(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C(=O)[O-])CCC1	REAL300012665475	1	58	0.0	-67.74	400.72	3.54	-64.20
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC(C(F)F)C1	REAL300012665476	1	54	0.0	-79.27	391.10	4.51	-74.76
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665478	1	51	0.0	-76.41	363.02	4.90	-71.51
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665479	1	53	0.0	-38.02	373.03	5.63	-32.39
CC1(C)CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1C(=O)[O-]	REAL300012665480	1	57	0.0	-79.23	388.90	5.78	-73.45
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665481	1	61	0.0	-84.91	411.21	8.58	-76.33
CC(C)CCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665482	1	59	0.0	-73.98	414.78	5.81	-68.17
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665483	1	58	0.0	-38.40	406.09	6.27	-32.13
O=C([O-])C(CC1CCOC1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665484	1	58	0.0	-75.36	409.14	3.86	-71.50
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	REAL300012665485	1	55	0.0	-79.83	396.90	6.81	-73.02
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCC2CC21	REAL300012665486	1	58	0.0	-76.79	390.27	6.59	-70.20
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC2CC21	REAL300012665487	1	55	0.0	-74.48	378.68	5.46	-69.02
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC2(CCC2)C1	REAL300012665488	1	58	0.0	-74.55	401.82	5.28	-69.27
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCCC1	REAL300012665489	1	57	0.0	-75.70	396.45	5.41	-70.29
CO[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665490	1	54	0.0	-75.27	385.05	2.98	-72.29
CC1[C@@H](C)[C@@]1(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665491	1	54	0.0	-74.90	369.36	4.94	-69.96
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665492	1	57	0.0	-57.73	411.49	8.54	-49.19
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	REAL300012665493	1	57	0.0	-41.85	387.28	6.13	-35.72
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665494	1	54	0.0	-76.89	379.00	5.96	-70.93
O=C([O-])C1N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC1(F)F	REAL300012665495	1	51	0.0	-82.79	368.20	4.95	-77.84
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665496	1	54	0.0	-75.00	403.46	5.68	-69.32
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665497	1	54	0.0	-74.13	382.99	6.32	-67.81
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665498	1	54	0.0	-75.00	403.46	5.68	-69.32
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665499	1	58	0.0	-75.01	395.80	6.20	-68.81
COCCCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665500	1	57	0.0	-73.44	410.22	3.56	-69.88
CCCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665501	1	56	0.0	-70.89	386.38	6.63	-64.26
CCOCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665502	1	54	0.0	-75.83	388.76	2.95	-72.88
CC(C)(C)CC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665503	1	59	0.0	-71.42	405.57	6.14	-65.28
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CCCCO1	REAL300012665504	1	58	0.0	-73.44	408.88	3.48	-69.96
C[C@H]1OCCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)[C@@H]1C(=O)[O-]	REAL300012665505	1	55	0.0	-76.96	378.62	4.13	-72.83
N#CCCC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300012665506	1	51	0.0	-75.77	375.07	4.26	-71.51
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665507	1	54	0.0	-58.76	393.09	6.67	-52.09
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300012665508	1	50	0.0	-67.16	345.54	4.78	-62.38
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	REAL300012665509	1	58	0.0	-81.93	408.93	5.61	-76.32
CC(C)C[C@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665510	0	58	0.0	-73.44	438.02	8.46	-64.98
CC(C)C[C@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665510	1	58	0.0	-73.96	437.84	8.42	-65.54
C=CCOCC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665511	0	57	0.0	-75.81	445.10	6.96	-68.85
C=CCOCC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665511	1	57	0.0	-79.49	445.80	6.87	-72.62
C=CC(C)C(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665512	0	56	0.0	-74.12	423.43	8.04	-66.08
C=CC(C)C(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665512	1	56	0.0	-74.13	424.62	7.98	-66.15
CC1CCN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)C(C(=O)[O-])C1	REAL300012665513	0	59	0.0	-82.92	422.07	10.46	-72.46
CC1CCN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)C(C(=O)[O-])C1	REAL300012665513	1	59	0.0	-83.57	422.87	10.32	-73.25
CCCN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665514	0	55	0.0	-61.05	418.05	9.70	-51.35
CCCN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665514	1	55	0.0	-66.17	418.32	9.68	-56.49
CC(C(=O)[O-])N(C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1CCC1	REAL300012665515	0	59	0.0	-63.83	431.89	9.94	-53.89
CC(C(=O)[O-])N(C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1CCC1	REAL300012665515	1	59	0.0	-53.33	425.93	11.01	-42.32
CCCN(C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(CC)C(=O)[O-]	REAL300012665516	0	61	0.0	-74.24	444.98	10.70	-63.54
CCCN(C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(CC)C(=O)[O-]	REAL300012665516	1	61	0.0	-77.62	452.05	11.56	-66.06
CC(C)C(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665517	0	55	0.0	-73.41	410.07	7.53	-65.88
CC(C)C(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665517	1	55	0.0	-76.58	410.62	7.48	-69.10
O=C([O-])C1CCCCN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665518	0	56	0.0	-83.89	410.22	10.28	-73.61
O=C([O-])C1CCCCN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665518	1	56	0.0	-83.55	408.71	10.02	-73.53
O=C([O-])C1CSCCN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665519	0	54	0.0	-81.71	410.28	10.19	-71.52
O=C([O-])C1CSCCN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665519	1	54	0.0	-82.01	409.44	10.18	-71.83
O=C([O-])C1(NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CCCCC1	REAL300012665520	0	59	0.0	-76.81	427.95	9.36	-67.45
O=C([O-])C1(NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CCCCC1	REAL300012665520	1	59	0.0	-80.40	428.70	9.28	-71.12
O=C([O-])C1CCCN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665521	0	53	0.0	-83.09	399.66	8.69	-74.40
O=C([O-])C1CCCN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665521	1	53	0.0	-83.95	400.13	8.56	-75.39
O=C([O-])C1(NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CCCC1	REAL300012665522	0	56	0.0	-77.05	413.87	8.28	-68.77
O=C([O-])C1(NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CCCC1	REAL300012665522	1	56	0.0	-80.42	414.16	8.21	-72.21
O=C([O-])CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665523	0	46	0.0	-66.20	356.00	5.27	-60.93
O=C([O-])CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665523	1	46	0.0	-66.30	356.56	5.23	-61.07
O=C([O-])[C@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1=CC=CC=C1	REAL300012665524	0	56	0.0	-75.16	434.56	9.28	-65.88
O=C([O-])[C@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1=CC=CC=C1	REAL300012665524	1	56	0.0	-77.84	435.11	9.23	-68.61
O=C([O-])C(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1=CC=CC=C1	REAL300012665525	0	56	0.0	-75.64	434.80	9.19	-66.45
O=C([O-])C(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1=CC=CC=C1	REAL300012665525	1	56	0.0	-74.91	434.72	9.17	-65.74
CCC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665526	0	52	0.0	-75.90	397.79	7.13	-68.77
CCC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665526	1	52	0.0	-76.99	399.19	7.07	-69.92
CC(C)C(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665527	0	55	0.0	-73.41	410.07	7.53	-65.88
CC(C)C(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665527	1	55	0.0	-76.58	410.62	7.48	-69.10
CN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665528	0	49	0.0	-73.21	374.75	7.94	-65.27
CN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665528	1	49	0.0	-73.19	375.31	7.89	-65.30
CC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665529	0	49	0.0	-66.34	376.79	6.10	-60.24
CC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665529	1	49	0.0	-67.46	377.36	6.05	-61.41
CCC(C)C(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665530	0	58	0.0	-74.88	433.60	8.33	-66.55
CCC(C)C(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665530	1	58	0.0	-72.56	431.38	8.24	-64.32
CN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665531	0	49	0.0	-73.21	374.75	7.94	-65.27
CN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665531	1	49	0.0	-73.19	375.31	7.89	-65.30
O=C([O-])C1CCCCN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665532	0	56	0.0	-83.89	410.22	10.28	-73.61
O=C([O-])C1CCCCN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665532	1	56	0.0	-83.55	408.71	10.02	-73.53
CCCC(C)(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665533	0	58	0.0	-76.08	424.26	8.24	-67.84
CCCC(C)(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665533	1	58	0.0	-76.60	424.82	8.21	-68.39
CC(C)N(CC(=O)[O-])C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665534	0	55	0.0	-66.06	406.68	9.20	-56.86
CC(C)N(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665534	1	55	0.0	-60.56	408.96	9.29	-51.27
O=C([O-])CN(C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1CC1	REAL300012665535	0	53	0.0	-66.43	399.63	9.49	-56.94
O=C([O-])CN(C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1CC1	REAL300012665535	1	53	0.0	-76.20	398.13	9.15	-67.05
C=CCN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665536	0	53	0.0	-65.06	409.37	9.48	-55.58
C=CCN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665536	1	53	0.0	-64.73	406.69	9.26	-55.47
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665537	0	58	0.0	-60.46	432.46	9.99	-50.47
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665537	1	58	0.0	-63.42	426.64	9.69	-53.73
CC(C)(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665538	0	52	0.0	-66.52	390.15	6.87	-59.65
CC(C)(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665538	1	52	0.0	-66.04	389.64	6.48	-59.56
CC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)(C(=O)[O-])C1CC1	REAL300012665539	0	56	0.0	-74.78	412.27	8.25	-66.53
CC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)(C(=O)[O-])C1CC1	REAL300012665539	1	56	0.0	-74.05	412.77	8.20	-65.85
O=C([O-])C1(NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CCCCC1	REAL300012665540	0	59	0.0	-76.81	427.95	9.36	-67.45
O=C([O-])C1(NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CCCCC1	REAL300012665540	1	59	0.0	-80.40	428.70	9.28	-71.12
CC(C)N(CC(=O)[O-])C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665541	0	55	0.0	-66.06	406.68	9.20	-56.86
CC(C)N(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665541	1	55	0.0	-60.56	408.96	9.29	-51.27
CCCN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665542	0	55	0.0	-61.05	418.05	9.70	-51.35
CCCN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665542	1	55	0.0	-66.17	418.32	9.68	-56.49
CCN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665543	0	52	0.0	-73.30	396.55	8.92	-64.38
CCN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665543	1	52	0.0	-77.03	391.90	8.67	-68.36
CC[C@H](C)[C@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665544	0	58	0.0	-77.39	429.86	8.08	-69.31
CC[C@H](C)[C@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665544	1	58	0.0	-73.90	429.73	8.08	-65.82
O=C([O-])C1(NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CCCC1	REAL300012665545	0	56	0.0	-77.05	413.87	8.28	-68.77
O=C([O-])C1(NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CCCC1	REAL300012665545	1	56	0.0	-80.42	414.16	8.21	-72.21
CCC(C)(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665546	0	55	0.0	-73.04	402.76	7.49	-65.55
CCC(C)(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665546	1	55	0.0	-76.26	403.32	7.44	-68.82
C[C@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665547	0	49	0.0	-66.55	378.16	6.10	-60.45
C[C@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665547	1	49	0.0	-66.11	377.19	6.08	-60.03
CCN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665548	0	52	0.0	-73.30	396.55	8.92	-64.38
CCN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665548	1	52	0.0	-77.03	391.90	8.67	-68.36
C[C@@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665549	0	49	0.0	-68.13	378.64	6.04	-62.09
C[C@@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665549	1	49	0.0	-67.45	377.36	6.05	-61.40
O=C([O-])C1(NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CC1	REAL300012665550	0	50	0.0	-78.75	382.75	7.35	-71.40
O=C([O-])C1(NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CC1	REAL300012665550	1	50	0.0	-79.01	383.51	7.28	-71.73
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CCOCC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665573	0	59	0.0	-72.30	441.61	8.52	-63.78
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CC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665580	0	52	0.0	-72.99	388.57	8.12	-64.87
CC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665580	1	52	0.0	-72.56	389.70	8.02	-64.54
CCC(CC)(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665581	0	58	0.0	-74.05	419.15	8.39	-65.66
CCC(CC)(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665581	1	58	0.0	-73.96	420.00	8.33	-65.63
CCC(C)N(CC(=O)[O-])C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665582	0	58	0.0	-60.31	427.27	10.26	-50.05
CCC(C)N(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665582	1	58	0.0	-59.80	427.83	10.21	-49.59
CCC(COC)(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665583	0	59	0.0	-78.46	437.44	7.69	-70.77
CCC(COC)(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665583	1	59	0.0	-82.03	438.01	7.65	-74.38
O=C([O-])C(CC1CC1)NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665584	0	56	0.0	-73.35	430.51	8.62	-64.73
O=C([O-])C(CC1CC1)NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665584	1	56	0.0	-73.52	430.80	8.62	-64.90
COCCC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665585	0	56	0.0	-73.43	432.05	6.25	-67.18
COCCC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665585	1	56	0.0	-77.19	432.86	6.13	-71.06
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665586	0	61	0.0	-71.92	447.93	10.64	-61.28
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665586	1	61	0.0	-71.57	448.37	10.64	-60.93
O=C([O-])C(CC(F)F)NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665587	0	52	0.0	-69.65	409.24	7.65	-62.00
O=C([O-])C(CC(F)F)NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665587	1	52	0.0	-72.47	410.71	7.37	-65.10
CCCN(C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(C)C(=O)[O-]	REAL300012665588	0	58	0.0	-70.89	427.71	9.65	-61.24
CCCN(C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(C)C(=O)[O-]	REAL300012665588	1	58	0.0	-73.77	428.85	9.70	-64.07
O=C([O-])C(CCF)NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665589	0	52	0.0	-71.98	404.97	7.33	-64.65
O=C([O-])C(CCF)NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665589	1	52	0.0	-75.40	405.54	7.28	-68.12
CC(CCF)(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665590	0	55	0.0	-70.16	409.35	7.63	-62.53
CC(CCF)(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665590	1	55	0.0	-70.07	409.93	7.58	-62.49
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665591	0	53	0.0	-76.21	412.65	8.86	-67.35
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665591	1	53	0.0	-74.98	410.17	8.68	-66.30
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665592	0	52	0.0	-72.60	389.94	8.24	-64.36
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665592	1	52	0.0	-70.57	389.14	8.06	-62.51
O=C([O-])C12CC(C1)CN2C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665593	0	54	0.0	-86.10	406.03	10.01	-76.09
O=C([O-])C12CC(C1)CN2C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665593	1	54	0.0	-86.16	405.67	9.60	-76.56
CC(C)(C)[C@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665594	0	58	0.0	-73.65	429.33	8.22	-65.43
CC(C)(C)[C@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665594	1	58	0.0	-74.80	429.97	8.18	-66.62
C=C(Cl)CC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665595	0	53	0.0	-69.90	426.85	8.31	-61.59
C=C(Cl)CC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665595	1	53	0.0	-72.66	427.42	8.26	-64.40
C=C(C)CC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665596	0	56	0.0	-73.74	429.13	8.66	-65.08
C=C(C)CC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665596	1	56	0.0	-77.11	429.70	8.61	-68.50
O=C([O-])C12CCC(CC1)N2C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665597	0	57	0.0	-85.84	417.47	10.50	-75.34
O=C([O-])C12CCC(CC1)N2C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665597	1	57	0.0	-88.46	419.79	10.42	-78.04
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665598	0	53	0.0	-73.80	411.16	9.57	-64.23
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665598	1	53	0.0	-75.39	410.60	9.20	-66.19
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665599	0	53	0.0	-77.13	404.39	9.46	-67.67
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665599	1	53	0.0	-76.81	404.43	9.08	-67.73
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)C1	REAL300012665600	0	54	0.0	-82.69	411.82	9.08	-73.61
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)C1	REAL300012665600	1	54	0.0	-84.04	410.62	8.91	-75.13
CC(C)C[C@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665601	0	58	0.0	-73.44	438.02	8.46	-64.98
CC(C)C[C@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665601	1	58	0.0	-73.96	437.84	8.42	-65.54
O=C([O-])C(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1=CC=CC=C1	REAL300012665602	0	56	0.0	-75.64	434.80	9.19	-66.45
O=C([O-])C(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1=CC=CC=C1	REAL300012665602	1	56	0.0	-74.91	434.72	9.17	-65.74
O=C([O-])C(CC1CC1)NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665603	0	56	0.0	-73.35	430.51	8.62	-64.73
O=C([O-])C(CC1CC1)NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665603	1	56	0.0	-73.52	430.80	8.62	-64.90
CSCC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665604	0	53	0.0	-71.37	422.08	7.54	-63.83
CSCC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665604	1	53	0.0	-74.39	422.89	7.42	-66.97
COC[C@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665605	0	53	0.0	-75.50	412.01	5.34	-70.16
COC[C@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665605	1	53	0.0	-75.18	411.04	5.32	-69.86
CC[C@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665606	0	52	0.0	-73.19	399.32	7.11	-66.08
CC[C@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665606	1	52	0.0	-73.00	398.35	7.09	-65.91
CCC(C)CC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665607	0	61	0.0	-77.11	455.55	9.11	-68.00
CCC(C)CC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665607	1	61	0.0	-77.23	455.97	9.10	-68.13
C=CCCCC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665608	0	59	0.0	-73.27	454.19	9.29	-63.98
C=CCCCC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665608	1	59	0.0	-76.91	454.99	9.18	-67.73
O=C([O-])C1CSCCN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665609	0	54	0.0	-81.71	410.28	10.19	-71.52
O=C([O-])C1CSCCN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665609	1	54	0.0	-82.01	409.44	10.18	-71.83
O=C([O-])[C@H]1CCCN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665610	0	53	0.0	-83.70	398.90	9.09	-74.61
O=C([O-])[C@H]1CCCN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665610	1	53	0.0	-82.77	398.33	8.71	-74.06
CCCC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665611	0	55	0.0	-76.39	420.12	7.88	-68.51
CCCC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665611	1	55	0.0	-76.95	420.68	7.84	-69.11
CC(C)[C@@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665612	0	55	0.0	-74.20	415.66	7.69	-66.51
CC(C)[C@@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665612	1	55	0.0	-76.30	414.33	7.68	-68.62
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665613	0	57	0.0	-86.93	418.91	10.62	-76.31
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665613	1	57	0.0	-85.51	419.05	10.66	-74.85
CCN(C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(C)(C)C(=O)[O-]	REAL300012665614	0	58	0.0	-79.61	424.88	9.86	-69.75
CCN(C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(C)(C)C(=O)[O-]	REAL300012665614	1	58	0.0	-79.75	423.86	9.81	-69.94
CCCN(C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(C)C(=O)[O-]	REAL300012665615	0	58	0.0	-70.89	427.71	9.65	-61.24
CCCN(C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(C)C(=O)[O-]	REAL300012665615	1	58	0.0	-73.77	428.85	9.70	-64.07
CN(C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(C)(C)C(=O)[O-]	REAL300012665616	0	55	0.0	-79.62	405.29	9.00	-70.62
CN(C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(C)(C)C(=O)[O-]	REAL300012665616	1	55	0.0	-79.72	404.32	8.98	-70.74
O=C([O-])[C@@H]1CCCN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665617	0	53	0.0	-82.18	397.36	9.04	-73.14
O=C([O-])[C@@H]1CCCN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665617	1	53	0.0	-79.74	398.68	8.69	-71.05
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665618	0	54	0.0	-81.53	409.34	5.40	-76.13
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665618	1	54	0.0	-81.04	409.56	5.34	-75.70
CCC[C@@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665619	0	55	0.0	-76.51	421.41	7.93	-68.58
CCC[C@@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665619	1	55	0.0	-76.54	420.44	7.90	-68.64
O=C([O-])[C@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1=CC=CC=C1	REAL300012665620	0	56	0.0	-75.16	434.56	9.28	-65.88
O=C([O-])[C@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1=CC=CC=C1	REAL300012665620	1	56	0.0	-77.84	435.11	9.23	-68.61
C=CCCC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665621	0	56	0.0	-73.58	432.93	8.46	-65.12
C=CCCC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665621	1	56	0.0	-76.63	433.50	8.40	-68.23
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665622	0	56	0.0	-82.65	416.03	9.58	-73.07
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665622	1	56	0.0	-82.73	415.04	9.51	-73.22
CC(C)[C@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665623	0	55	0.0	-74.28	417.19	7.67	-66.61
CC(C)[C@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665623	1	55	0.0	-72.83	410.32	7.38	-65.45
O=C([O-])[C@@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1=CC=CC=C1	REAL300012665624	0	56	0.0	-75.81	436.28	9.16	-66.65
O=C([O-])[C@@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1=CC=CC=C1	REAL300012665624	1	56	0.0	-75.62	435.34	9.14	-66.48
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665625	0	52	0.0	-72.60	389.94	8.24	-64.36
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665625	1	52	0.0	-70.57	389.14	8.06	-62.51
CCC[C@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665626	0	55	0.0	-73.15	420.82	7.87	-65.28
CCC[C@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665626	1	55	0.0	-72.89	419.85	7.85	-65.04
CCN(C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(C)C(=O)[O-]	REAL300012665627	0	55	0.0	-77.36	409.68	9.64	-67.72
CCN(C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(C)C(=O)[O-]	REAL300012665627	1	55	0.0	-70.60	406.89	8.91	-61.69
O=C([O-])CN(C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1CCCC1	REAL300012665628	0	59	0.0	-60.53	434.41	10.48	-50.05
O=C([O-])CN(C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1CCCC1	REAL300012665628	1	59	0.0	-59.72	433.43	10.44	-49.28
CC(CN(C)C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665629	0	55	0.0	-79.56	412.44	8.86	-70.70
CC(CN(C)C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665629	1	55	0.0	-75.72	410.36	8.58	-67.14
CC[C@H](C)[C@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665630	0	58	0.0	-77.39	429.86	8.08	-69.31
CC[C@H](C)[C@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665630	1	58	0.0	-73.90	429.73	8.08	-65.82
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665631	0	55	0.0	-71.57	410.57	9.09	-62.48
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665631	1	55	0.0	-71.34	409.61	9.05	-62.29
O=C([O-])C1(NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CC(CO)C1	REAL300012665632	0	57	0.0	-80.26	431.93	5.13	-75.13
O=C([O-])C1(NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CC(CO)C1	REAL300012665632	1	57	0.0	-82.83	430.69	4.97	-77.86
CC1CCC(NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)(C(=O)[O-])C1	REAL300012665633	0	59	0.0	-76.88	433.65	8.88	-68.00
CC1CCC(NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)(C(=O)[O-])C1	REAL300012665633	1	59	0.0	-80.77	435.47	8.82	-71.95
COCCC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665634	0	56	0.0	-73.43	432.05	6.25	-67.18
COCCC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665634	1	56	0.0	-77.19	432.86	6.13	-71.06
CC1(C)CC(NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)(C(=O)[O-])C1	REAL300012665635	0	59	0.0	-81.49	437.70	9.52	-71.97
CC1(C)CC(NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)(C(=O)[O-])C1	REAL300012665635	1	59	0.0	-78.59	436.57	9.49	-69.10
CC1(C(NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)C(=O)[O-])CC1	REAL300012665636	0	56	0.0	-76.22	422.23	8.49	-67.73
CC1(C(NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)C(=O)[O-])CC1	REAL300012665636	1	56	0.0	-75.24	420.64	8.42	-66.82
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665637	0	54	0.0	-90.50	410.12	5.87	-84.63
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665637	1	54	0.0	-88.91	408.56	5.43	-83.48
O=C([O-])C(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1CCOC1	REAL300012665638	0	57	0.0	-74.17	430.83	6.22	-67.95
O=C([O-])C(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1CCOC1	REAL300012665638	1	57	0.0	-76.66	426.38	6.04	-70.62
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665639	0	57	0.0	-85.95	419.12	10.18	-75.77
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665639	1	57	0.0	-85.69	419.86	10.15	-75.54
O=C([O-])C12COC(CN1C(=O)NCC1C[N@H+](CC3=CC=CC=C3)CCCO1)C2	REAL300012665640	0	55	0.0	-81.48	411.35	7.94	-73.54
O=C([O-])C12COC(CN1C(=O)NCC1C[N@@H+](CC3=CC=CC=C3)CCCO1)C2	REAL300012665640	1	55	0.0	-81.71	412.16	7.87	-73.84
CC1CCC(C(=O)[O-])N(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)C1	REAL300012665641	0	59	0.0	-83.36	429.58	10.87	-72.49
CC1CCC(C(=O)[O-])N(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)C1	REAL300012665641	1	59	0.0	-83.60	429.80	10.57	-73.03
O=C([O-])C(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1CCC1	REAL300012665642	0	56	0.0	-74.80	425.40	8.17	-66.63
O=C([O-])C(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1CCC1	REAL300012665642	1	56	0.0	-73.49	423.25	8.06	-65.43
O=C([O-])C(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1CCC1	REAL300012665643	0	56	0.0	-74.80	425.40	8.17	-66.63
O=C([O-])C(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1CCC1	REAL300012665643	1	56	0.0	-73.49	423.25	8.06	-65.43
CC1CCN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)C1C(=O)[O-]	REAL300012665644	0	56	0.0	-84.15	420.21	9.28	-74.87
CC1CCN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)C1C(=O)[O-]	REAL300012665644	1	56	0.0	-84.73	415.53	9.04	-75.69
C=CCC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665645	0	53	0.0	-73.56	411.90	7.57	-65.99
C=CCC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665645	1	53	0.0	-76.67	412.46	7.53	-69.14
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665646	0	57	0.0	-65.27	421.72	10.36	-54.91
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665646	1	57	0.0	-61.95	419.12	9.86	-52.09
COC1CC(NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)(C(=O)[O-])C1	REAL300012665647	0	57	0.0	-80.19	432.88	6.82	-73.37
COC1CC(NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)(C(=O)[O-])C1	REAL300012665647	1	57	0.0	-74.15	431.90	6.66	-67.49
O=C([O-])C1(NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CC(F)(F)C1	REAL300012665648	0	53	0.0	-78.99	409.96	7.83	-71.16
O=C([O-])C1(NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CC(F)(F)C1	REAL300012665648	1	53	0.0	-79.07	408.74	7.81	-71.26
CO[C@H]1C[C@](NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)(C(=O)[O-])C1	REAL300012665649	0	57	0.0	-74.07	431.03	6.74	-67.33
CO[C@H]1C[C@](NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)(C(=O)[O-])C1	REAL300012665649	1	57	0.0	-75.66	432.06	7.09	-68.57
CCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665650	0	59	0.0	-79.67	430.27	10.74	-68.93
CCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665650	1	59	0.0	-81.66	431.15	10.78	-70.88
O=C([O-])C1(NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)COC1	REAL300012665651	0	51	0.0	-74.71	392.08	4.85	-69.86
O=C([O-])C1(NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)COC1	REAL300012665651	1	51	0.0	-74.66	391.14	4.83	-69.83
CC(C)C(C)(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665652	0	58	0.0	-74.00	419.50	8.17	-65.83
CC(C)C(C)(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665652	1	58	0.0	-77.40	420.06	8.14	-69.26
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665653	0	54	0.0	-85.25	406.59	10.16	-75.09
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665653	1	54	0.0	-83.77	404.80	10.21	-73.56
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665654	0	57	0.0	-85.15	421.46	10.17	-74.98
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665654	1	57	0.0	-84.35	420.82	9.77	-74.58
CCC(C(=O)[O-])N(CC)C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665655	0	58	0.0	-73.57	422.83	9.81	-63.76
CCC(C(=O)[O-])N(CC)C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665655	1	58	0.0	-74.18	423.89	9.87	-64.31
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665656	0	53	0.0	-77.13	404.39	9.46	-67.67
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665656	1	53	0.0	-76.81	404.43	9.08	-67.73
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665657	0	55	0.0	-62.84	413.23	9.88	-52.96
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665657	1	55	0.0	-57.77	413.66	9.80	-47.97
CC1(C)CCN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)C1C(=O)[O-]	REAL300012665658	0	59	0.0	-83.54	432.61	9.98	-73.56
CC1(C)CCN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)C1C(=O)[O-]	REAL300012665658	1	59	0.0	-80.38	430.54	9.94	-70.44
CC(C)CCC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665659	0	61	0.0	-76.57	459.19	9.18	-67.39
CC(C)CCC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665659	1	61	0.0	-77.03	459.74	9.13	-67.90
O=C([O-])C1(NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CCC2CC21	REAL300012665660	0	57	0.0	-81.75	421.44	9.04	-72.71
O=C([O-])C1(NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CCC2CC21	REAL300012665660	1	57	0.0	-82.10	421.66	9.03	-73.07
O=C([O-])C(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1CCCC1	REAL300012665661	0	59	0.0	-73.53	439.37	8.72	-64.81
O=C([O-])C(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1CCCC1	REAL300012665661	1	59	0.0	-78.32	435.48	8.59	-69.73
CO[C@H](C)[C@H](NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665662	0	56	0.0	-77.41	428.13	6.36	-71.05
CO[C@H](C)[C@H](NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665662	1	56	0.0	-75.02	429.19	6.32	-68.70
CC1[C@@H](C)[C@@]1(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665663	0	56	0.0	-75.85	412.60	8.40	-67.45
CC1[C@@H](C)[C@@]1(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665663	1	56	0.0	-77.99	411.81	8.18	-69.81
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)C1	REAL300012665664	0	59	0.0	-63.08	437.77	9.80	-53.28
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)C1	REAL300012665664	1	59	0.0	-62.79	437.72	9.76	-53.03
O=C([O-])C1N(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CCC1(F)F	REAL300012665665	0	53	0.0	-83.17	409.36	9.38	-73.79
O=C([O-])C1N(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CCC1(F)F	REAL300012665665	1	53	0.0	-85.85	410.13	8.87	-76.98
COCCCC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665666	0	59	0.0	-72.96	453.55	7.02	-65.94
COCCCC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665666	1	59	0.0	-76.20	454.35	6.91	-69.29
CCCC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665667	0	58	0.0	-73.02	431.60	10.03	-62.99
CCCC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665667	1	58	0.0	-70.98	431.07	9.98	-61.00
CCOCC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665668	0	56	0.0	-75.43	432.20	6.38	-69.05
CCOCC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665668	1	56	0.0	-78.76	432.76	6.34	-72.42
CC(C)(C)CC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665669	0	61	0.0	-73.81	449.21	9.57	-64.24
CC(C)(C)CC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665669	1	61	0.0	-73.69	449.79	9.53	-64.16
C[C@H]1OCCN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)[C@@H]1C(=O)[O-]	REAL300012665670	0	57	0.0	-81.60	420.21	8.72	-72.88
C[C@H]1OCCN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)[C@@H]1C(=O)[O-]	REAL300012665670	1	57	0.0	-81.16	419.96	8.30	-72.86
N#CCCC(NC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665671	0	53	0.0	-74.76	419.48	7.63	-67.13
N#CCCC(NC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300012665671	1	53	0.0	-78.03	419.80	7.64	-70.39
C[C@H](C(=O)[O-])N(C)C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300012665672	0	52	0.0	-70.32	389.65	8.18	-62.14
C[C@H](C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300012665672	1	52	0.0	-73.63	389.16	7.97	-65.66
CCSCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012665871	0	53	0.0	-59.27	413.76	7.05	-52.22
CC(C)C[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012665986	0	56	0.0	-77.95	423.88	8.13	-69.82
C=CCOCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012665987	0	55	0.0	-74.91	430.72	6.65	-68.26
C=CC(C)C(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012665988	0	54	0.0	-76.85	409.39	7.78	-69.07
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012665989	0	58	0.0	-74.99	434.62	6.91	-68.08
COC1CCN(C(=O)NC2CC[NH+](C(C)C3=CC=NC=C3)CC2)C(C(=O)[O-])C1	REAL300012665990	0	58	0.0	-87.59	426.90	9.04	-78.55
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012665991	0	58	0.0	-74.67	428.49	6.75	-67.92
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012665992	0	57	0.0	-85.13	408.06	10.17	-74.96
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012665993	0	53	0.0	-61.57	404.03	9.44	-52.13
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C1CCC1	REAL300012665994	0	57	0.0	-56.31	409.09	10.45	-45.86
CCCN(C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(COC)C(=O)[O-]	REAL300012665995	0	60	0.0	-75.90	441.84	9.03	-66.87
CCCN(C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(CC)C(=O)[O-]	REAL300012665996	0	59	0.0	-74.31	430.80	10.40	-63.91
CC(C)C(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012665997	0	53	0.0	-76.79	401.63	7.43	-69.36
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012665998	0	54	0.0	-86.37	395.38	9.95	-76.42
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012665999	0	52	0.0	-79.52	394.33	9.77	-69.75
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012666000	0	57	0.0	-78.90	414.10	9.07	-69.83
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012666001	0	51	0.0	-83.58	384.83	8.33	-75.25
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012666002	0	54	0.0	-80.75	399.66	7.89	-72.86
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012666003	0	60	0.0	-81.31	420.35	9.70	-71.61
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012666004	0	57	0.0	-77.83	443.03	9.87	-67.96
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012666005	0	57	0.0	-61.75	442.12	11.65	-50.10
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NCC(=O)[O-])CC1	REAL300012666006	0	44	0.0	-67.24	341.98	5.03	-62.21
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012666007	0	54	0.0	-79.47	421.38	8.90	-70.57
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012666008	0	54	0.0	-77.00	421.13	8.98	-68.02
CCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666009	0	50	0.0	-75.90	384.35	6.92	-68.98
CC(C)C(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666010	0	53	0.0	-76.79	401.63	7.43	-69.36
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(C)CC(=O)[O-])CC1	REAL300012666011	0	47	0.0	-75.75	360.71	7.70	-68.05
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012666012	0	57	0.0	-77.83	443.03	9.87	-67.96
CC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666013	0	47	0.0	-67.33	362.77	5.84	-61.49
CCC(C)C(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666014	0	56	0.0	-73.37	414.18	7.81	-65.56
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(C)CC(=O)[O-])CC1	REAL300012666015	0	47	0.0	-75.75	360.71	7.70	-68.05
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012666016	0	54	0.0	-86.37	395.38	9.95	-76.42
CCCC(C)(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666017	0	56	0.0	-75.13	410.23	7.99	-67.14
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666018	0	53	0.0	-61.94	394.50	9.08	-52.86
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012666019	0	51	0.0	-76.48	387.54	9.07	-67.41
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666020	0	51	0.0	-61.39	395.34	9.24	-52.15
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666021	0	56	0.0	-60.94	418.44	9.74	-51.20
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012666022	0	50	0.0	-66.64	375.34	6.24	-60.40
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012666023	0	54	0.0	-77.39	398.77	7.95	-69.44
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012666024	0	51	0.0	-77.69	412.98	7.98	-69.71
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012666025	0	57	0.0	-78.90	414.10	9.07	-69.83
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666026	0	53	0.0	-61.94	394.50	9.08	-52.86
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666027	0	53	0.0	-61.57	404.03	9.44	-52.13
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666028	0	50	0.0	-75.94	382.52	8.68	-67.26
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666029	0	56	0.0	-77.16	414.75	7.77	-69.39
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012666030	0	54	0.0	-80.75	399.66	7.89	-72.86
CCC(C)(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666031	0	53	0.0	-74.92	388.73	7.23	-67.69
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012666032	0	57	0.0	-74.73	428.56	9.71	-65.02
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300012666033	0	47	0.0	-69.52	363.37	5.80	-63.72
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666034	0	50	0.0	-75.94	382.52	8.68	-67.26
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N[C@H](C)C(=O)[O-])CC1	REAL300012666035	0	47	0.0	-69.69	363.37	5.80	-63.89
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012666036	0	48	0.0	-82.14	369.51	7.01	-75.13
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012666037	0	52	0.0	-82.38	385.16	7.31	-75.07
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012666038	0	60	0.0	-82.58	423.63	10.48	-72.10
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012666039	0	51	0.0	-78.14	394.96	7.37	-70.77
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012666040	0	57	0.0	-77.64	429.65	10.88	-66.76
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666041	0	54	0.0	-62.61	413.90	7.86	-54.75
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012666042	0	51	0.0	-84.50	385.48	8.36	-76.14
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012666043	0	54	0.0	-84.91	394.47	9.77	-75.14
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012666044	0	50	0.0	-74.89	375.14	7.84	-67.05
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012666045	0	51	0.0	-83.61	384.83	8.34	-75.27
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012666046	0	51	0.0	-81.33	386.31	7.51	-73.82
C=CCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666047	0	51	0.0	-76.08	397.87	7.31	-68.77
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012666048	0	54	0.0	-82.79	401.10	9.28	-73.51
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012666049	0	57	0.0	-85.01	407.02	10.40	-74.61
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012666050	0	51	0.0	-78.14	394.96	7.37	-70.77
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666051	0	50	0.0	-71.43	374.55	7.87	-63.56
CCCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666052	0	56	0.0	-73.94	427.59	8.41	-65.53
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012666053	0	54	0.0	-78.31	401.10	9.26	-69.05
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012666054	0	57	0.0	-61.77	411.95	10.04	-51.73
COCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666055	0	51	0.0	-77.70	396.32	5.15	-72.55
CCCCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666056	0	59	0.0	-76.29	449.09	9.18	-67.11
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012666057	0	58	0.0	-60.99	427.29	8.57	-52.42
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012666058	0	57	0.0	-78.55	410.04	9.66	-68.89
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C1CC1	REAL300012666059	0	54	0.0	-66.38	401.35	9.40	-56.98
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C1CC1	REAL300012666060	0	57	0.0	-68.12	422.00	10.42	-57.70
CC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)C3=CC=NC=C3)CC2)C(=O)[O-])C=C1	REAL300012666061	0	57	0.0	-79.01	442.72	9.58	-69.43
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012666062	0	50	0.0	-70.08	400.29	7.63	-62.45
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012666063	0	55	0.0	-77.05	412.39	8.72	-68.33
COCC(C)(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666064	0	54	0.0	-79.32	406.98	6.51	-72.81
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666065	0	57	0.0	-73.17	426.18	8.25	-64.92
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666066	0	56	0.0	-60.94	418.44	9.74	-51.20
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012666067	0	51	0.0	-76.48	387.54	9.07	-67.41
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012666068	0	52	0.0	-76.36	390.83	5.32	-71.04
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012666069	0	60	0.0	-78.43	438.93	9.03	-69.40
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012666070	0	55	0.0	-80.21	406.11	6.54	-73.67
C=CCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666071	0	54	0.0	-76.10	418.91	8.18	-67.92
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(CF)C(=O)[O-])CC1	REAL300012666072	0	47	0.0	-65.62	366.70	5.83	-59.79
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666073	0	50	0.0	-71.43	374.55	7.87	-63.56
CCC(CC)(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666074	0	56	0.0	-76.06	405.12	8.12	-67.94
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666075	0	56	0.0	-60.93	413.25	10.01	-50.92
CCC(COC)(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666076	0	57	0.0	-80.72	423.42	7.43	-73.29
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666077	0	60	0.0	-73.08	446.63	9.11	-63.97
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012666078	0	54	0.0	-77.61	417.06	8.32	-69.29
COCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666079	0	54	0.0	-76.71	418.27	5.92	-70.79
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666080	0	59	0.0	-71.86	432.84	10.35	-61.51
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012666081	0	50	0.0	-69.82	395.21	7.39	-62.43
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666082	0	60	0.0	-85.41	435.66	11.23	-74.18
CCCN(C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(C)C(=O)[O-]	REAL300012666083	0	56	0.0	-54.94	414.97	10.27	-44.67
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012666084	0	50	0.0	-75.38	391.19	7.00	-68.38
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012666085	0	58	0.0	-60.99	427.29	8.57	-52.42
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012666086	0	60	0.0	-64.12	436.83	10.90	-53.22
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012666087	0	60	0.0	-80.46	427.90	9.44	-71.02
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012666088	0	53	0.0	-72.22	395.32	7.37	-64.85
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012666089	0	55	0.0	-67.72	418.99	9.52	-58.20
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012666090	0	51	0.0	-78.58	398.54	8.53	-70.05
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012666091	0	50	0.0	-74.61	375.27	7.90	-66.71
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012666092	0	52	0.0	-88.78	391.73	9.33	-79.45
COC1CN(C(=O)NC2CC[NH+](C(C)C3=CC=NC=C3)CC2)C(C)(C(=O)[O-])C1	REAL300012666093	0	58	0.0	-83.19	434.36	8.23	-74.96
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012666094	0	56	0.0	-78.78	415.99	7.93	-70.85
C=C(Cl)CC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666095	0	51	0.0	-73.65	413.03	7.94	-65.71
C=C(C)CC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666096	0	54	0.0	-73.11	417.61	8.08	-65.03
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012666097	0	55	0.0	-86.77	404.99	10.20	-76.57
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012666098	0	51	0.0	-79.32	390.60	8.21	-71.11
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012666099	0	51	0.0	-83.51	384.09	8.13	-75.38
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)C3=CC=NC=C3)CC2)C1	REAL300012666100	0	52	0.0	-82.54	398.83	8.79	-73.75
CC(C)C[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666101	0	56	0.0	-77.95	423.88	8.13	-69.82
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012666102	0	58	0.0	-74.99	434.62	6.91	-68.08
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012666103	0	54	0.0	-77.00	421.13	8.98	-68.02
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012666104	0	54	0.0	-77.61	417.06	8.32	-69.29
CC(C)CCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666105	0	62	0.0	-73.88	466.66	9.70	-64.18
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012666106	0	58	0.0	-82.42	441.38	7.20	-75.22
CSCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666107	0	51	0.0	-73.25	408.05	7.28	-65.97
COC[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666108	0	51	0.0	-79.13	397.04	5.06	-74.07
CC[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666109	0	50	0.0	-77.69	385.18	6.82	-70.87
CCC(C)CC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666110	0	59	0.0	-76.64	441.53	8.81	-67.83
C=CCCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666111	0	57	0.0	-72.71	439.57	9.00	-63.71
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012666112	0	52	0.0	-79.52	394.33	9.77	-69.75
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012666113	0	57	0.0	-74.73	428.56	9.71	-65.02
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012666114	0	51	0.0	-84.50	385.48	8.36	-76.14
CCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666115	0	53	0.0	-76.28	406.09	7.62	-68.66
CC(C)[C@@H](NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666116	0	53	0.0	-77.25	400.32	7.43	-69.82
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012666117	0	55	0.0	-84.84	404.82	10.34	-74.50
CCN(C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012666118	0	56	0.0	-78.01	409.26	9.61	-68.40
CCCN(C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(C)C(=O)[O-]	REAL300012666119	0	56	0.0	-54.94	414.97	10.27	-44.67
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012666120	0	50	0.0	-71.40	397.14	9.18	-62.22
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012666121	0	50	0.0	-71.40	397.14	9.18	-62.22
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012666122	0	53	0.0	-78.20	389.74	8.76	-69.44
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012666123	0	51	0.0	-83.61	384.83	8.34	-75.27
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012666124	0	52	0.0	-81.16	396.02	5.03	-76.13
CCC[C@@H](NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666125	0	53	0.0	-77.62	406.44	7.65	-69.97
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012666126	0	54	0.0	-79.47	421.38	8.90	-70.57
C=CCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666127	0	54	0.0	-76.10	418.91	8.18	-67.92
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012666128	0	55	0.0	-76.21	410.98	7.74	-68.47
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012666129	0	54	0.0	-83.05	401.00	9.28	-73.77
CC(C)[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666130	0	53	0.0	-76.15	399.36	7.37	-68.78
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012666131	0	54	0.0	-79.10	421.32	8.89	-70.21
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012666132	0	50	0.0	-74.61	375.27	7.90	-66.71
CCC[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666133	0	53	0.0	-76.86	405.85	7.61	-69.25
CCN(C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(C)C(=O)[O-]	REAL300012666134	0	53	0.0	-71.99	393.56	8.80	-63.19
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012666135	0	57	0.0	-61.77	411.95	10.04	-51.73
CC(CN(C)C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666136	0	53	0.0	-79.41	396.07	8.60	-70.81
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666137	0	56	0.0	-77.16	414.75	7.77	-69.39
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666138	0	53	0.0	-74.54	396.66	8.97	-65.57
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012666139	0	55	0.0	-86.04	416.96	4.68	-81.36
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012666140	0	57	0.0	-80.96	421.26	8.54	-72.42
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012666141	0	60	0.0	-80.92	429.05	9.15	-71.77
COCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666142	0	54	0.0	-76.71	418.27	5.92	-70.79
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CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012666151	0	60	0.0	-78.43	438.93	9.03	-69.40
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012666152	0	54	0.0	-78.26	404.85	7.77	-70.49
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012666153	0	54	0.0	-84.56	405.27	9.01	-75.55
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CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012666157	0	51	0.0	-79.93	394.74	7.55	-72.38
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CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666159	0	57	0.0	-83.47	413.74	10.55	-72.92
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CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012666161	0	58	0.0	-80.45	439.00	6.84	-73.61
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012666162	0	49	0.0	-75.94	377.13	4.56	-71.38
CC(C)C(C)(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666163	0	56	0.0	-75.85	405.46	7.92	-67.93
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012666164	0	52	0.0	-86.44	390.55	9.91	-76.53
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012666165	0	55	0.0	-83.13	406.57	9.52	-73.61
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CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666167	0	56	0.0	-74.02	408.80	9.57	-64.45
COC1(C(NC(=O)NC2CC[NH+](C(C)C3=CC=NC=C3)CC2)C(=O)[O-])CCC1	REAL300012666168	0	58	0.0	-74.66	432.43	6.49	-68.17
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012666169	0	54	0.0	-79.24	416.70	8.25	-70.99
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012666171	0	51	0.0	-83.51	384.09	8.13	-75.38
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012666172	0	53	0.0	-60.71	400.03	9.56	-51.15
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012666173	0	57	0.0	-85.34	420.07	9.38	-75.96
CC(C)CCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666174	0	59	0.0	-76.04	444.92	8.98	-67.06
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012666175	0	58	0.0	-60.92	431.76	10.16	-50.76
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012666176	0	58	0.0	-80.45	439.00	6.84	-73.61
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CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012666178	0	58	0.0	-82.49	420.53	9.67	-72.82
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012666179	0	55	0.0	-82.09	407.68	8.76	-73.33
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012666180	0	58	0.0	-82.41	435.03	9.37	-73.04
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012666181	0	57	0.0	-76.86	421.36	8.41	-68.45
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666182	0	54	0.0	-78.91	415.18	6.06	-72.85
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012666183	0	54	0.0	-75.50	399.72	8.05	-67.45
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012666184	0	57	0.0	-61.75	442.12	11.65	-50.10
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012666185	0	57	0.0	-60.67	423.75	9.53	-51.14
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012666186	0	54	0.0	-82.99	405.17	9.91	-73.08
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012666187	0	51	0.0	-88.32	397.91	8.46	-79.86
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012666188	0	54	0.0	-76.29	413.15	9.39	-66.90
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012666189	0	58	0.0	-86.79	414.30	9.60	-77.19
COCCCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666190	0	57	0.0	-72.68	438.94	6.72	-65.96
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300012666191	0	56	0.0	-71.93	416.48	9.79	-62.14
CCOCC(NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300012666192	0	54	0.0	-75.83	418.31	6.07	-69.76
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012666193	0	59	0.0	-76.94	435.43	9.26	-67.68
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012666194	0	58	0.0	-80.68	436.44	7.38	-73.30
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012666195	0	55	0.0	-84.86	405.93	8.34	-76.52
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012666196	0	51	0.0	-78.15	405.44	7.36	-70.79
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012666197	0	54	0.0	-65.24	423.78	9.79	-55.45
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012666198	0	50	0.0	-74.89	375.14	7.84	-67.05
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)C3=CC=NC=C3)CC2)C1	REAL300012666199	0	58	0.0	-83.55	438.39	8.71	-74.84
COCC1=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CS1	REAL300012666370	0	53	0.0	-64.36	431.41	4.15	-60.21
CC(C)C[C@H](NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666503	0	56	0.0	-70.90	421.55	9.23	-61.67
CC(C)C[C@H](NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666503	1	56	0.0	-75.28	424.83	9.30	-65.98
C=CCOCC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666504	0	55	0.0	-72.91	428.91	7.65	-65.26
C=CCOCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666504	1	55	0.0	-75.66	433.00	7.68	-67.98
C=CC(C)C(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666505	0	54	0.0	-71.51	408.36	8.75	-62.76
C=CC(C)C(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666505	1	54	0.0	-76.01	411.18	8.81	-67.20
CC(CCNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666506	0	58	0.0	-73.92	427.27	7.66	-66.26
CC(CCNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666506	1	58	0.0	-79.25	430.87	7.68	-71.57
COC1CCN(C(=O)NCCC(C)[N@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012666507	0	58	0.0	-84.58	426.59	9.91	-74.67
COC1CCN(C(=O)NCCC(C)[N@@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012666507	1	58	0.0	-79.35	423.70	9.88	-69.47
CC(CCNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666508	0	58	0.0	-69.67	427.25	7.70	-61.97
CC(CCNC(=O)NC(C(=O)[O-])C1CCCOC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666508	1	58	0.0	-73.84	430.27	7.79	-66.05
CC(CCNC(=O)N1CCC(C)CC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666509	0	57	0.0	-83.85	409.87	11.16	-72.69
CC(CCNC(=O)N1CCC(C)CC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666509	1	57	0.0	-79.88	414.76	11.70	-68.18
CC1=CC(C)=CC(C(NC(=O)NCCC(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012666510	0	60	0.0	-72.18	461.54	11.35	-60.83
CC1=CC(C)=CC(C(NC(=O)NCCC(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012666510	1	60	0.0	-77.65	465.38	11.28	-66.37
CC1=CC=C(C(NC(=O)NCCC(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012666511	0	60	0.0	-73.24	456.73	11.18	-62.06
CC1=CC=C(C(NC(=O)NCCC(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012666511	1	60	0.0	-76.78	460.93	11.16	-65.62
CC1=CC=CC(C(NC(=O)NCCC(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012666512	0	60	0.0	-76.11	452.26	11.00	-65.11
CC1=CC=CC(C(NC(=O)NCCC(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012666512	1	60	0.0	-72.25	448.63	10.95	-61.30
CCCN(CC(=O)[O-])C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666513	0	53	0.0	-59.75	402.21	10.45	-49.30
CCCN(CC(=O)[O-])C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666513	1	53	0.0	-59.45	405.80	10.47	-48.98
CC(CCNC(=O)N(C(C)C(=O)[O-])C1CCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666514	0	57	0.0	-59.23	415.70	10.94	-48.29
CC(CCNC(=O)N(C(C)C(=O)[O-])C1CCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666514	1	57	0.0	-59.84	416.35	10.92	-48.92
CCCN(C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(COC)C(=O)[O-]	REAL300012666515	0	60	0.0	-71.56	444.83	11.38	-60.18
CCCN(C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(COC)C(=O)[O-]	REAL300012666515	1	60	0.0	-78.64	448.97	11.49	-67.15
CCCN(C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012666516	0	59	0.0	-53.97	425.14	12.06	-41.91
CCCN(C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012666516	1	59	0.0	-77.43	434.22	12.09	-65.34
CC(C)C(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666517	0	53	0.0	-70.81	399.81	8.46	-62.35
CC(C)C(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666517	1	53	0.0	-74.66	399.07	8.22	-66.44
CC(CCNC(=O)N1CCCCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666518	0	54	0.0	-84.52	396.57	11.10	-73.42
CC(CCNC(=O)N1CCCCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666518	1	54	0.0	-79.86	393.73	11.06	-68.80
CC(CCNC(=O)N1CCSCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666519	0	52	0.0	-82.03	395.84	10.91	-71.12
CC(CCNC(=O)N1CCSCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666519	1	52	0.0	-76.16	393.08	10.78	-65.38
CC(CCNC(=O)NC1(C(=O)[O-])CCCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666520	0	57	0.0	-78.97	415.98	10.11	-68.86
CC(CCNC(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666520	1	57	0.0	-73.70	412.97	10.07	-63.63
CC(CCNC(=O)N1CCCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666521	0	51	0.0	-80.19	385.04	9.79	-70.40
CC(CCNC(=O)N1CCCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666521	1	51	0.0	-76.91	382.21	9.76	-67.15
CC(CCNC(=O)NC1(C(=O)[O-])CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666522	0	54	0.0	-78.97	401.46	9.00	-69.97
CC(CCNC(=O)NC1(C(=O)[O-])CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666522	1	54	0.0	-73.66	398.46	8.98	-64.68
CC(CCNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666523	0	60	0.0	-79.72	421.63	10.78	-68.94
CC(CCNC(=O)NC1(C(=O)[O-])CCCCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666523	1	60	0.0	-74.24	418.63	10.74	-63.50
CC(CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666524	0	57	0.0	-71.31	440.97	10.95	-60.36
CC(CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666524	1	57	0.0	-76.90	444.57	10.97	-65.93
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CC(CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666526	1	54	0.0	-72.18	419.36	10.02	-62.16
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012666527	0	54	0.0	-73.07	418.91	9.95	-63.12
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666527	1	54	0.0	-75.86	422.51	9.96	-65.90
CCC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666528	0	50	0.0	-71.12	381.95	7.89	-63.23
CCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666528	1	50	0.0	-74.46	386.38	7.89	-66.57
CC(C)C(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666529	0	53	0.0	-70.81	399.81	8.46	-62.35
CC(C)C(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666529	1	53	0.0	-74.66	399.07	8.22	-66.44
CC(CCNC(=O)N(C)CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666530	0	47	0.0	-69.90	358.90	8.71	-61.19
CC(CCNC(=O)N(C)CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666530	1	47	0.0	-74.94	362.50	8.72	-66.22
CC(CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666531	0	57	0.0	-71.31	440.97	10.95	-60.36
CC(CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666531	1	57	0.0	-76.90	444.57	10.97	-65.93
CC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666532	0	47	0.0	-63.71	361.26	6.82	-56.89
CC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666532	1	47	0.0	-66.57	364.86	6.84	-59.73
CCC(C)C(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666533	0	56	0.0	-69.88	415.90	9.11	-60.77
CCC(C)C(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666533	1	56	0.0	-76.72	421.36	9.10	-67.62
CC(CCNC(=O)N(C)CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666534	0	47	0.0	-69.90	358.90	8.71	-61.19
CC(CCNC(=O)N(C)CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666534	1	47	0.0	-74.94	362.50	8.72	-66.22
CC(CCNC(=O)N1CCCCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666535	0	54	0.0	-84.52	396.57	11.10	-73.42
CC(CCNC(=O)N1CCCCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666535	1	54	0.0	-79.86	393.73	11.06	-68.80
CCCC(C)(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666536	0	56	0.0	-70.85	408.42	9.01	-61.84
CCCC(C)(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666536	1	56	0.0	-74.00	412.02	9.03	-64.97
CC(C)N(CC(=O)[O-])C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666537	0	53	0.0	-60.75	390.53	9.96	-50.79
CC(C)N(CC(=O)[O-])C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666537	1	53	0.0	-60.35	394.37	9.96	-50.39
CC(CCNC(=O)N(CC(=O)[O-])C1CC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666538	0	51	0.0	-60.96	387.65	10.23	-50.73
CC(CCNC(=O)N(CC(=O)[O-])C1CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666538	1	51	0.0	-56.15	384.84	10.23	-45.92
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C=CCN(CC(=O)[O-])C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666539	1	51	0.0	-59.26	397.12	10.26	-49.00
CC(C)CN(CC(=O)[O-])C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666540	0	56	0.0	-59.64	416.87	10.96	-48.68
CC(C)CN(CC(=O)[O-])C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666540	1	56	0.0	-59.39	420.47	10.98	-48.41
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CC(CCNC(=O)NC(C)(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666542	1	50	0.0	-64.38	377.12	7.27	-57.11
CC(CCNC(=O)NC(C)(C(=O)[O-])C1CC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666543	0	54	0.0	-70.61	396.41	9.00	-61.61
CC(CCNC(=O)NC(C)(C(=O)[O-])C1CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666543	1	54	0.0	-71.47	397.05	8.99	-62.48
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=CS1)[N@H+](C)CC1=CC=CC=C1	REAL300012666544	0	51	0.0	-71.29	411.22	9.02	-62.27
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=CS1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666544	1	51	0.0	-70.72	410.27	9.04	-61.68
CC(CCNC(=O)NC1(C(=O)[O-])CCCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666545	0	57	0.0	-78.97	415.98	10.11	-68.86
CC(CCNC(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666545	1	57	0.0	-73.70	412.97	10.07	-63.63
CC(C)N(CC(=O)[O-])C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666546	0	53	0.0	-60.75	390.53	9.96	-50.79
CC(C)N(CC(=O)[O-])C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666546	1	53	0.0	-60.35	394.37	9.96	-50.39
CCCN(CC(=O)[O-])C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666547	0	53	0.0	-59.75	402.21	10.45	-49.30
CCCN(CC(=O)[O-])C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666547	1	53	0.0	-59.45	405.80	10.47	-48.98
CCN(CC(=O)[O-])C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666548	0	50	0.0	-70.00	380.71	9.69	-60.31
CCN(CC(=O)[O-])C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666548	1	50	0.0	-75.16	384.31	9.70	-65.46
CC[C@H](C)[C@H](NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666549	0	56	0.0	-71.96	414.66	8.82	-63.14
CC[C@H](C)[C@H](NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666549	1	56	0.0	-71.48	414.30	8.84	-62.64
CC(CCNC(=O)NC1(C(=O)[O-])CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666550	0	54	0.0	-78.97	401.46	9.00	-69.97
CC(CCNC(=O)NC1(C(=O)[O-])CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666550	1	54	0.0	-73.66	398.46	8.98	-64.68
CCC(C)(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666551	0	53	0.0	-70.51	386.92	8.25	-62.26
CCC(C)(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666551	1	53	0.0	-73.77	390.52	8.27	-65.50
CC(CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@H+](C)CC1=CC=CC=C1	REAL300012666552	0	58	0.0	-77.00	440.59	11.17	-65.83
CC(CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666552	1	58	0.0	-72.79	437.29	11.12	-61.67
CC(CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012666553	0	57	0.0	-72.99	426.68	10.73	-62.26
CC(CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666553	1	57	0.0	-76.14	430.16	10.76	-65.38
CC(CCNC(=O)N[C@@H](C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666554	0	47	0.0	-63.36	361.59	6.84	-56.52
CC(CCNC(=O)N[C@@H](C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666554	1	47	0.0	-65.94	364.42	6.90	-59.04
CCN(CC(=O)[O-])C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666555	0	50	0.0	-70.00	380.71	9.69	-60.31
CCN(CC(=O)[O-])C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666555	1	50	0.0	-75.16	384.31	9.70	-65.46
CCCCCCC(C)(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666556	0	65	0.0	-71.10	472.91	11.34	-59.76
CCCCCCC(C)(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666556	1	65	0.0	-74.20	476.51	11.35	-62.85
CC(CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666557	0	60	0.0	-69.92	449.78	12.81	-57.11
CC(CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666557	1	60	0.0	-74.91	453.88	12.93	-61.98
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CC(CCNC(=O)N[C@H](C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666558	1	47	0.0	-63.82	361.91	6.81	-57.01
CC(CCNC(=O)NC1(C(=O)[O-])CC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666559	0	48	0.0	-80.45	370.77	8.09	-72.36
CC(CCNC(=O)NC1(C(=O)[O-])CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666559	1	48	0.0	-79.72	370.73	8.08	-71.64
CC(CCNC(=O)N1CCOCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666560	0	52	0.0	-81.23	387.71	8.41	-72.82
CC(CCNC(=O)N1CCOCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666560	1	52	0.0	-80.91	387.69	8.42	-72.49
CC(CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666561	0	60	0.0	-80.74	425.21	11.43	-69.31
CC(CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666561	1	60	0.0	-75.53	422.20	11.45	-64.08
CC(CCNC(=O)NC(C(=O)[O-])C1CC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666562	0	51	0.0	-72.37	392.53	8.43	-63.94
CC(CCNC(=O)NC(C(=O)[O-])C1CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666562	1	51	0.0	-72.23	393.18	8.40	-63.83
CC(CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666563	0	60	0.0	-60.86	462.12	13.48	-47.38
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CC(CCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666564	1	57	0.0	-76.96	432.31	12.23	-64.73
COCCN(CC(=O)[O-])C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666565	0	54	0.0	-60.58	412.09	8.87	-51.71
COCCN(CC(=O)[O-])C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666565	1	54	0.0	-60.13	415.69	8.89	-51.24
CC(CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)[N@H+](C)CC1=CC=CC=C1	REAL300012666566	0	58	0.0	-74.98	433.66	11.05	-63.93
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CC(CCNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666567	0	51	0.0	-80.76	385.99	9.52	-71.24
CC(CCNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666567	1	51	0.0	-82.09	385.88	9.50	-72.59
CC(CCNC(=O)N1CCCC[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666568	0	54	0.0	-78.07	392.61	10.85	-67.22
CC(CCNC(=O)N1CCCC[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666568	1	54	0.0	-83.32	395.50	10.87	-72.45
CC(CCNC(=O)N(C)[C@H](C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666569	0	50	0.0	-67.20	373.30	8.83	-58.37
CC(CCNC(=O)N(C)[C@H](C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666569	1	50	0.0	-67.63	374.45	8.93	-58.70
CC(CCNC(=O)N1CCC[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666570	0	51	0.0	-76.17	382.16	9.78	-66.39
CC(CCNC(=O)N1CCC[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666570	1	51	0.0	-81.42	385.15	9.80	-71.62
CC(CCNC(=O)NC1(C(=O)[O-])CCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666571	0	51	0.0	-73.92	384.19	8.60	-65.32
CC(CCNC(=O)NC1(C(=O)[O-])CCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666571	1	51	0.0	-74.53	384.58	8.57	-65.96
C=CCC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666572	0	51	0.0	-70.62	395.26	8.33	-62.29
C=CCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666572	1	51	0.0	-73.12	398.86	8.35	-64.77
CC(CCNC(=O)N1CCCC1(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666573	0	54	0.0	-76.97	398.61	10.35	-66.62
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CC(CCNC(=O)N1CCCCCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666574	1	57	0.0	-83.69	409.40	11.47	-72.22
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CC(CCNC(=O)N(C)C(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666576	0	50	0.0	-67.19	373.30	8.83	-58.36
CC(CCNC(=O)N(C)C(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666576	1	50	0.0	-70.89	376.46	8.96	-61.93
CCCCC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666577	0	56	0.0	-71.04	424.94	9.44	-61.60
CCCCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666577	1	56	0.0	-73.52	428.54	9.45	-64.07
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CC(CCNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666579	1	54	0.0	-75.38	399.02	10.33	-65.05
CC(CCNC(=O)N(CC(=O)[O-])C1CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666580	0	57	0.0	-59.30	420.36	11.28	-48.02
CC(CCNC(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666580	1	57	0.0	-58.92	417.69	11.25	-47.67
COCC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666581	0	51	0.0	-72.86	394.15	6.10	-66.76
COCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666581	1	51	0.0	-75.16	397.75	6.12	-69.04
CCCCCC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666582	0	59	0.0	-71.75	447.27	10.21	-61.54
CCCCCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666582	1	59	0.0	-73.52	450.04	10.24	-63.28
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CCC1CCC(NC(=O)NCCC(C)[N@@H+](C)CC2=CC=CC=C2)(C(=O)[O-])CC1	REAL300012666583	1	63	0.0	-77.63	454.99	11.34	-66.29
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CC(CCNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666584	1	58	0.0	-59.00	429.09	9.60	-49.40
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CC(CCNC(=O)N(C)C1(C(=O)[O-])CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666585	1	57	0.0	-77.08	408.93	10.66	-66.42
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CC(CCNC(=O)N(C(C)C(=O)[O-])C1CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666586	1	54	0.0	-62.38	399.56	10.18	-52.20
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CC(CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666589	0	58	0.0	-62.36	434.32	12.40	-49.96
CC(CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666589	1	58	0.0	-61.52	434.65	12.37	-49.15
CC(CCNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666590	0	63	0.0	-72.45	463.75	11.06	-61.39
CC(CCNC(=O)NC(CC1CCCCC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666590	1	63	0.0	-71.64	463.43	11.07	-60.57
CC(CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012666591	0	60	0.0	-60.61	453.52	13.16	-47.45
CC(CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666591	1	60	0.0	-58.64	455.67	13.49	-45.15
CC1=CC=C(C(NC(=O)NCCC(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012666592	0	57	0.0	-72.50	439.72	10.65	-61.85
CC1=CC=C(C(NC(=O)NCCC(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012666592	1	57	0.0	-73.11	440.67	10.61	-62.50
CC(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666593	0	50	0.0	-65.56	397.88	8.60	-56.96
CC(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666593	1	50	0.0	-69.02	402.31	8.58	-60.44
CC(CCNC(=O)NC1(C(=O)[O-])CCSCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666594	0	55	0.0	-75.10	413.67	9.80	-65.30
CC(CCNC(=O)NC1(C(=O)[O-])CCSCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666594	1	55	0.0	-73.98	413.63	9.79	-64.19
COCC(C)(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666595	0	54	0.0	-75.01	405.16	7.54	-67.47
COCC(C)(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666595	1	54	0.0	-78.20	408.76	7.55	-70.65
CCOCC(C(=O)[O-])N(C)C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666596	0	57	0.0	-70.82	424.92	9.29	-61.53
CCOCC(C(=O)[O-])N(C)C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666596	1	57	0.0	-72.48	428.06	9.27	-63.21
CC(C)CN(CC(=O)[O-])C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666597	0	56	0.0	-59.64	416.87	10.96	-48.68
CC(C)CN(CC(=O)[O-])C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666597	1	56	0.0	-59.39	420.47	10.98	-48.41
CC(CCNC(=O)N(CC(=O)[O-])C1CC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666598	0	51	0.0	-60.96	387.65	10.23	-50.73
CC(CCNC(=O)N(CC(=O)[O-])C1CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666598	1	51	0.0	-56.15	384.84	10.23	-45.92
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CC(CCNC(=O)NC1(C(=O)[O-])CCOC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666600	1	52	0.0	-70.32	389.10	6.36	-63.96
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CC(CCNC(=O)NC(C(=O)[O-])C1CCCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666601	1	60	0.0	-73.15	437.16	10.07	-63.08
CC(CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666602	0	61	0.0	-71.73	452.07	10.69	-61.04
CC(CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666602	1	61	0.0	-73.16	455.42	10.76	-62.40
CC(CCNC(=O)NC1(C(=O)[O-])CCOCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666603	0	55	0.0	-78.23	407.40	7.63	-70.60
CC(CCNC(=O)NC1(C(=O)[O-])CCOCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666603	1	55	0.0	-76.98	407.35	7.60	-69.38
C=CCCC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666604	0	54	0.0	-70.76	416.26	9.22	-61.54
C=CCCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666604	1	54	0.0	-73.22	419.86	9.23	-63.99
CC(CCNC(=O)NC(CF)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666605	0	47	0.0	-60.85	364.41	6.89	-53.96
CC(CCNC(=O)NC(CF)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666605	1	47	0.0	-63.30	368.01	6.91	-56.39
CC(CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666606	0	60	0.0	-51.41	451.14	13.74	-37.67
CC(CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666606	1	60	0.0	-54.47	451.59	13.75	-40.72
CC(CCNC(=O)N(C)C(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666607	0	50	0.0	-67.19	373.30	8.83	-58.36
CC(CCNC(=O)N(C)C(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666607	1	50	0.0	-70.89	376.46	8.96	-61.93
CCC(CC)(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666608	0	56	0.0	-70.02	403.31	9.14	-60.88
CCC(CC)(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666608	1	56	0.0	-74.89	407.19	9.15	-65.74
COC1=CC=C(C(NC(=O)NCCC(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012666609	0	58	0.0	-72.26	447.81	9.27	-62.99
COC1=CC=C(C(NC(=O)NCCC(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012666609	1	58	0.0	-75.64	452.01	9.26	-66.38
CCC(C)N(CC(=O)[O-])C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666610	0	56	0.0	-58.58	413.36	11.31	-47.27
CCC(C)N(CC(=O)[O-])C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666610	1	56	0.0	-57.91	417.14	11.27	-46.64
CCC(COC)(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666611	0	57	0.0	-76.40	421.83	8.44	-67.96
CCC(COC)(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666611	1	57	0.0	-79.60	425.43	8.45	-71.15
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666612	0	60	0.0	-70.88	445.15	10.05	-60.83
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666612	1	60	0.0	-72.14	448.86	10.04	-62.10
CC(CCNC(=O)NC(CC1CC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666613	0	54	0.0	-70.95	415.03	9.42	-61.53
CC(CCNC(=O)NC(CC1CC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666613	1	54	0.0	-71.76	414.70	9.42	-62.34
COCCC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666614	0	54	0.0	-72.16	416.45	6.94	-65.22
COCCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666614	1	54	0.0	-74.50	420.05	6.95	-67.55
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666615	0	59	0.0	-69.65	431.03	11.36	-58.29
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666615	1	59	0.0	-71.44	434.62	11.37	-60.07
CC(CCNC(=O)NC(CC(F)F)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666616	0	50	0.0	-71.45	395.13	8.17	-63.28
CC(CCNC(=O)NC(CC(F)F)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666616	1	50	0.0	-69.75	397.00	8.41	-61.34
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666617	0	60	0.0	-75.61	433.29	11.78	-63.83
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666617	1	60	0.0	-78.28	433.28	12.10	-66.18
CCCN(C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012666618	0	56	0.0	-67.71	412.10	10.50	-57.21
CCCN(C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012666618	1	56	0.0	-72.18	415.99	10.53	-61.65
CC(CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666619	0	60	0.0	-51.29	450.24	13.76	-37.53
CC(CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666619	1	60	0.0	-54.42	454.87	13.73	-40.69
CCC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012666620	0	60	0.0	-72.15	443.71	11.63	-60.52
CCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012666620	1	60	0.0	-78.00	447.31	11.64	-66.36
CC(CCNC(=O)NC(CCF)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666621	0	50	0.0	-70.92	389.37	8.02	-62.90
CC(CCNC(=O)NC(CCF)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666621	1	50	0.0	-73.16	392.97	8.03	-65.13
COC1(CC(NC(=O)NCCC(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])CCC1	REAL300012666622	0	61	0.0	-76.01	455.46	9.28	-66.73
COC1(CC(NC(=O)NCCC(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])CCC1	REAL300012666622	1	61	0.0	-73.33	452.44	9.17	-64.16
CC(CCNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666623	0	58	0.0	-59.50	425.49	9.59	-49.91
CC(CCNC(=O)N(CC(=O)[O-])C1CCOCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666623	1	58	0.0	-59.00	429.09	9.60	-49.40
CC(CCNC(=O)N(CC(=O)[O-])C1CCCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666624	0	60	0.0	-59.32	435.08	11.95	-47.37
CC(CCNC(=O)N(CC(=O)[O-])C1CCCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666624	1	60	0.0	-59.32	435.08	11.95	-47.37
CC(CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666625	0	60	0.0	-72.93	426.16	10.47	-62.46
CC(CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666625	1	60	0.0	-73.30	426.42	10.48	-62.82
COC1=CC=CC(C(NC(=O)NCCC(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012666626	0	58	0.0	-75.33	448.41	9.24	-66.09
COC1=CC=CC(C(NC(=O)NCCC(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012666626	1	58	0.0	-78.28	452.01	9.25	-69.03
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CC(CCNC(=O)N(C)[C@@H](C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666631	1	50	0.0	-67.76	373.15	8.94	-58.82
CC(CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@H+](C)CC1=CC=CC=C1	REAL300012666632	0	63	0.0	-79.27	443.37	10.96	-68.31
CC(CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666632	1	63	0.0	-76.11	439.89	10.93	-65.18
CC(CCNC(=O)N1CC2CC1(C(=O)[O-])C2)[N@H+](C)CC1=CC=CC=C1	REAL300012666633	0	52	0.0	-81.72	389.13	10.39	-71.33
CC(CCNC(=O)N1CC2CC1(C(=O)[O-])C2)[N@@H+](C)CC1=CC=CC=C1	REAL300012666633	1	52	0.0	-81.24	389.72	10.39	-70.85
COC1CN(C(=O)NCCC(C)[N@H+](C)CC2=CC=CC=C2)C(C)(C(=O)[O-])C1	REAL300012666634	0	58	0.0	-78.12	434.77	9.40	-68.72
COC1CN(C(=O)NCCC(C)[N@@H+](C)CC2=CC=CC=C2)C(C)(C(=O)[O-])C1	REAL300012666634	1	58	0.0	-73.28	432.09	9.36	-63.92
CC(CCNC(=O)NC(CC1CCCOC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666635	0	61	0.0	-70.41	450.59	9.37	-61.04
CC(CCNC(=O)NC(CC1CCCOC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666635	1	61	0.0	-70.84	454.49	8.69	-62.15
CC(CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300012666636	0	56	0.0	-71.52	411.96	9.00	-62.52
CC(CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666636	1	56	0.0	-71.42	412.61	8.99	-62.43
C=C(Cl)CC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666637	0	51	0.0	-71.55	411.21	8.95	-62.60
C=C(Cl)CC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666637	1	51	0.0	-75.12	415.65	8.94	-66.18
C=C(C)CC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666638	0	54	0.0	-71.13	415.80	9.09	-62.04
C=C(C)CC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666638	1	54	0.0	-74.35	420.23	9.08	-65.27
CC(CCNC(=O)N1C2CCC1(C(=O)[O-])CC2)[N@H+](C)CC1=CC=CC=C1	REAL300012666639	0	55	0.0	-83.31	403.36	11.22	-72.09
CC(CCNC(=O)N1C2CCC1(C(=O)[O-])CC2)[N@@H+](C)CC1=CC=CC=C1	REAL300012666639	1	55	0.0	-88.73	406.86	11.25	-77.48
CC(CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666640	0	51	0.0	-75.60	399.00	9.68	-65.92
CC(CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666640	1	51	0.0	-74.86	398.14	9.98	-64.88
CC(CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666641	0	51	0.0	-74.97	388.33	9.88	-65.09
CC(CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666641	1	51	0.0	-79.21	391.66	9.89	-69.32
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC(C)[N@H+](C)CC2=CC=CC=C2)C1	REAL300012666642	0	52	0.0	-81.97	399.42	9.89	-72.08
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC(C)[N@@H+](C)CC2=CC=CC=C2)C1	REAL300012666642	1	52	0.0	-81.64	399.36	9.88	-71.76
CC(CCNC(=O)NC(CC1CCOCC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666643	0	61	0.0	-70.09	449.79	9.41	-60.68
CC(CCNC(=O)NC(CC1CCOCC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666643	1	61	0.0	-75.97	453.63	9.36	-66.61
CC(C)C[C@H](NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666644	0	56	0.0	-70.90	421.55	9.23	-61.67
CC(C)C[C@H](NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666644	1	56	0.0	-75.28	424.83	9.30	-65.98
CC(CCNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+](C)CC1=CC=CC=C1	REAL300012666645	0	58	0.0	-73.92	427.27	7.66	-66.26
CC(CCNC(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666645	1	58	0.0	-79.25	430.87	7.68	-71.57
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012666646	0	54	0.0	-73.07	418.91	9.95	-63.12
CC(CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666646	1	54	0.0	-75.86	422.51	9.96	-65.90
CC(CCNC(=O)NC(CC1CC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666647	0	54	0.0	-70.95	415.03	9.42	-61.53
CC(CCNC(=O)NC(CC1CC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666647	1	54	0.0	-71.76	414.70	9.42	-62.34
CC(CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666648	0	53	0.0	-69.76	426.91	8.07	-61.69
CC(CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666648	1	53	0.0	-73.27	431.34	8.07	-65.20
CC(C)CCCC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666649	0	62	0.0	-71.77	464.84	10.73	-61.04
CC(C)CCCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666649	1	62	0.0	-73.55	467.61	10.74	-62.81
CC(CCNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666650	0	58	0.0	-79.09	442.05	8.34	-70.75
CC(CCNC(=O)NC(CC1CCCO1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666650	1	58	0.0	-75.37	439.62	8.24	-67.13
CSCC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666651	0	51	0.0	-69.21	406.25	8.30	-60.91
CSCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666651	1	51	0.0	-71.08	409.17	8.34	-62.74
COC[C@H](NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666652	0	51	0.0	-73.43	394.64	6.12	-67.31
COC[C@H](NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666652	1	51	0.0	-71.54	394.43	6.11	-65.43
CC[C@H](NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666653	0	50	0.0	-71.90	382.78	7.88	-64.02
CC[C@H](NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666653	1	50	0.0	-70.67	383.06	7.88	-62.79
CCC(C)CC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666654	0	59	0.0	-71.44	438.88	9.84	-61.60
CCC(C)CC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666654	1	59	0.0	-73.79	442.48	9.86	-63.93
C=CCCCC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666655	0	57	0.0	-71.37	438.59	9.99	-61.38
C=CCCCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666655	1	57	0.0	-73.90	442.19	10.00	-63.90
CC(CCNC(=O)N1CCSCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666656	0	52	0.0	-82.03	395.84	10.91	-71.12
CC(CCNC(=O)N1CCSCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666656	1	52	0.0	-76.16	393.08	10.78	-65.38
CC(CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012666657	0	57	0.0	-72.99	426.68	10.73	-62.26
CC(CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666657	1	57	0.0	-76.14	430.16	10.76	-65.38
CC(CCNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666658	0	51	0.0	-80.76	385.99	9.52	-71.24
CC(CCNC(=O)N1CCC[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666658	1	51	0.0	-82.09	385.88	9.50	-72.59
CCCC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666659	0	53	0.0	-71.86	404.28	8.65	-63.21
CCCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666659	1	53	0.0	-73.62	407.05	8.67	-64.95
CC(C)[C@@H](NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666660	0	53	0.0	-69.80	394.22	8.28	-61.52
CC(C)[C@@H](NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666660	1	53	0.0	-72.20	400.09	8.45	-63.75
CC(CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666661	0	55	0.0	-87.49	407.37	11.31	-76.18
CC(CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666661	1	55	0.0	-81.86	403.84	11.37	-70.49
CCN(C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012666662	0	56	0.0	-71.91	406.85	10.60	-61.31
CCN(C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012666662	1	56	0.0	-78.17	410.81	10.62	-67.55
CCCN(C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012666663	0	56	0.0	-67.71	412.10	10.50	-57.21
CCCN(C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012666663	1	56	0.0	-72.18	415.99	10.53	-61.65
CC(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+](C)CC1=CC=CC=C1	REAL300012666664	0	50	0.0	-66.47	395.32	10.19	-56.28
CC(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+](C)CC1=CC=CC=C1	REAL300012666664	1	50	0.0	-70.60	398.92	10.21	-60.39
CC(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@H+](C)CC1=CC=CC=C1	REAL300012666665	0	50	0.0	-66.47	395.32	10.19	-56.28
CC(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)[N@@H+](C)CC1=CC=CC=C1	REAL300012666665	1	50	0.0	-70.60	398.92	10.21	-60.39
CC(CCNC(=O)N(C)C(C)(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666666	0	53	0.0	-72.21	387.76	9.77	-62.44
CC(CCNC(=O)N(C)C(C)(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666666	1	53	0.0	-78.30	391.69	9.76	-68.54
CC(CCNC(=O)N1CCC[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666667	0	51	0.0	-76.17	382.16	9.78	-66.39
CC(CCNC(=O)N1CCC[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666667	1	51	0.0	-81.42	385.15	9.80	-71.62
CC(CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666668	0	52	0.0	-83.67	396.84	6.12	-77.55
CC(CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666668	1	52	0.0	-79.69	393.84	6.13	-73.56
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1	REAL300012666669	0	58	0.0	-56.26	435.25	12.79	-43.47
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666669	1	58	0.0	-57.07	438.05	12.71	-44.36
CCC[C@@H](NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666670	0	53	0.0	-69.85	404.04	8.70	-61.15
CCC[C@@H](NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666670	1	53	0.0	-74.20	407.92	8.65	-65.55
CC(CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300012666671	0	54	0.0	-71.46	418.72	10.03	-61.43
CC(CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666671	1	54	0.0	-72.18	419.36	10.02	-62.16
CC(CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666672	0	59	0.0	-72.42	459.07	9.90	-62.52
CC(CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666672	1	59	0.0	-77.61	462.67	9.91	-67.70
C=CCCC(NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666673	0	54	0.0	-70.76	416.26	9.22	-61.54
C=CCCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666673	1	54	0.0	-73.22	419.86	9.23	-63.99
CC(CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666674	0	53	0.0	-73.33	427.73	7.90	-65.43
CC(CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666674	1	53	0.0	-78.33	431.09	7.97	-70.36
CC(CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666675	0	54	0.0	-90.86	415.59	7.38	-83.48
CC(CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666675	1	54	0.0	-91.06	415.64	7.41	-83.65
CC(CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666676	0	55	0.0	-75.73	413.42	9.06	-66.67
CC(CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666676	1	55	0.0	-71.32	410.11	9.01	-62.31
CC(CCNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300012666677	0	54	0.0	-81.07	402.15	10.35	-70.72
CC(CCNC(=O)N1CCC[C@]1(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666677	1	54	0.0	-76.95	398.96	10.35	-66.60
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CCN(C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012666683	1	53	0.0	-71.97	394.08	9.73	-62.24
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CC(CCNC(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666684	1	57	0.0	-58.92	417.69	11.25	-47.67
CC(CN(C)C(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666685	0	53	0.0	-72.54	393.14	9.35	-63.19
CC(CN(C)C(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666685	1	53	0.0	-76.12	397.61	9.39	-66.73
CC[C@H](C)[C@H](NC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666686	0	56	0.0	-71.96	414.66	8.82	-63.14
CC[C@H](C)[C@H](NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666686	1	56	0.0	-71.48	414.30	8.84	-62.64
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CC(CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300012666691	1	60	0.0	-74.24	427.05	10.22	-64.02
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COCCC(NC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012666692	1	54	0.0	-74.50	420.05	6.95	-67.55
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CC(CCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666697	1	52	0.0	-83.39	392.56	6.28	-77.11
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CC(CCNC(=O)N1CC(C)CCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300012666701	1	57	0.0	-84.24	417.45	11.69	-72.55
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CC(CCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300012666702	1	60	0.0	-75.56	459.98	11.31	-64.25
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C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1CCCOC1)C1CC1	REAL300012666778	1	52	0.0	-71.77	390.99	6.01	-65.76
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C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1CC1	REAL300012666781	0	53	0.0	-75.29	419.16	8.04	-67.25
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1CC1	REAL300012666781	1	53	0.0	-75.27	419.17	8.02	-67.25
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CC(C(=O)[O-])N(C(=O)NCCCC[N@H+](C)C1CC1)C1CCC1	REAL300012666787	0	51	0.0	-62.62	378.86	8.99	-53.63
CC(C(=O)[O-])N(C(=O)NCCCC[N@@H+](C)C1CC1)C1CCC1	REAL300012666787	1	51	0.0	-62.45	378.86	8.99	-53.46
CCCN(C(=O)NCCCC[N@H+](C)C1CC1)C(COC)C(=O)[O-]	REAL300012666788	0	54	0.0	-77.10	408.42	9.66	-67.44
CCCN(C(=O)NCCCC[N@@H+](C)C1CC1)C(COC)C(=O)[O-]	REAL300012666788	1	54	0.0	-77.06	408.50	9.68	-67.38
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CCCN(C(=O)NCCCC[N@@H+](C)C1CC1)C(CC)C(=O)[O-]	REAL300012666789	1	53	0.0	-75.50	395.30	10.31	-65.19
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CC1	REAL300012666790	0	48	0.0	-71.43	399.96	8.71	-62.72
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CC1	REAL300012666790	1	48	0.0	-71.10	399.37	8.73	-62.37
C[N@H+](CCCCNC(=O)N1CCSCC1C(=O)[O-])C1CC1	REAL300012666791	0	46	0.0	-80.30	357.01	9.16	-71.14
C[N@@H+](CCCCNC(=O)N1CCSCC1C(=O)[O-])C1CC1	REAL300012666791	1	46	0.0	-80.49	357.15	9.17	-71.32
C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CCCCC1)C1CC1	REAL300012666792	0	51	0.0	-77.38	376.61	8.34	-69.04
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C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CCCCCC1)C1CC1	REAL300012666793	1	54	0.0	-77.73	382.28	8.99	-68.74
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C[N@H+](CCCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1CC1	REAL300012666795	0	51	0.0	-61.36	404.02	10.94	-50.42
C[N@@H+](CCCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1CC1	REAL300012666795	1	51	0.0	-61.59	404.02	10.93	-50.66
C[N@H+](CCCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300012666796	0	48	0.0	-75.05	383.03	8.28	-66.77
C[N@@H+](CCCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300012666796	1	48	0.0	-75.15	383.28	8.18	-66.97
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300012666797	0	48	0.0	-75.24	383.23	8.19	-67.05
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300012666797	1	48	0.0	-74.79	382.63	8.21	-66.58
C[N@H+](CCCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300012666798	0	51	0.0	-74.89	405.29	9.20	-65.69
C[N@@H+](CCCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300012666798	1	51	0.0	-74.68	405.29	9.19	-65.49
C[N@H+](CCCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CC1	REAL300012666799	0	52	0.0	-83.05	394.80	11.17	-71.88
C[N@@H+](CCCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CC1	REAL300012666799	1	52	0.0	-82.97	394.80	11.18	-71.79
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1CC1	REAL300012666800	0	45	0.0	-73.25	374.86	7.27	-65.98
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C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CCCCC1)C1CC1	REAL300012666801	1	51	0.0	-77.18	376.62	8.32	-68.86
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C[N@@H+](CCCCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C1CC1	REAL300012666802	1	51	0.0	-59.07	420.76	11.45	-47.62
C[N@H+](CCCCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300012666803	0	55	0.0	-75.87	433.74	9.23	-66.64
C[N@@H+](CCCCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300012666803	1	55	0.0	-76.08	433.74	9.23	-66.85
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCCCC[N@H+](C)C2CC2)=C1	REAL300012666804	0	59	0.0	-64.31	463.02	9.54	-54.77
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCCCC[N@@H+](C)C2CC2)=C1	REAL300012666804	1	59	0.0	-64.04	463.01	9.55	-54.49
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C1CC1	REAL300012666805	0	48	0.0	-71.24	404.53	8.81	-62.43
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C1CC1	REAL300012666805	1	48	0.0	-70.99	403.93	8.84	-62.15
C[N@H+](CCCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1CC1	REAL300012666806	0	51	0.0	-59.02	410.43	11.01	-48.01
C[N@@H+](CCCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1CC1	REAL300012666806	1	51	0.0	-59.25	410.44	10.99	-48.26
C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1CC1	REAL300012666807	0	52	0.0	-76.86	401.21	9.37	-67.49
C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1CC1	REAL300012666807	1	52	0.0	-76.84	401.35	9.39	-67.45
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CC1	REAL300012666808	0	48	0.0	-75.27	394.11	8.36	-66.91
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CC1	REAL300012666808	1	48	0.0	-74.57	393.30	8.34	-66.23
C[N@H+](CCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300012666809	0	51	0.0	-75.62	391.05	8.96	-66.66
C[N@@H+](CCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300012666809	1	51	0.0	-75.81	391.06	8.97	-66.84
CCCCCCC(C)(NC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300012666810	0	59	0.0	-73.87	437.23	9.58	-64.29
CCCCCCC(C)(NC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012666810	1	59	0.0	-73.71	437.23	9.59	-64.12
CN(C(=O)NCCCC[N@H+](C)C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012666811	0	54	0.0	-72.19	414.10	11.05	-61.14
CN(C(=O)NCCCC[N@@H+](C)C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012666811	1	54	0.0	-72.30	414.10	11.06	-61.24
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CC1	REAL300012666812	0	48	0.0	-71.43	399.96	8.71	-62.72
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CC1	REAL300012666812	1	48	0.0	-71.10	399.37	8.73	-62.37
CN(C(=O)NCCCC[N@H+](C)C1CC1)C1(C(=O)[O-])CCCCC1	REAL300012666813	0	54	0.0	-79.08	386.01	9.65	-69.43
CN(C(=O)NCCCC[N@@H+](C)C1CC1)C1(C(=O)[O-])CCCCC1	REAL300012666813	1	54	0.0	-78.64	385.87	9.64	-69.00
C[N@H+](CCCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CC1	REAL300012666814	0	54	0.0	-62.02	426.43	11.71	-50.31
C[N@@H+](CCCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CC1	REAL300012666814	1	54	0.0	-62.30	426.43	11.70	-50.60
CN(C(=O)NCCCC[N@H+](C)C1CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012666815	0	51	0.0	-75.75	393.01	10.45	-65.30
CN(C(=O)NCCCC[N@@H+](C)C1CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012666815	1	51	0.0	-73.46	394.39	10.08	-63.38
COCCN(CC(=O)[O-])C(=O)NCCCC[N@H+](C)C1CC1	REAL300012666816	0	48	0.0	-61.94	376.40	7.11	-54.83
COCCN(CC(=O)[O-])C(=O)NCCCC[N@@H+](C)C1CC1	REAL300012666816	1	48	0.0	-61.71	376.40	7.12	-54.59
C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1CC1	REAL300012666817	0	52	0.0	-80.26	398.28	9.31	-70.95
C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1CC1	REAL300012666817	1	52	0.0	-80.10	397.95	9.25	-70.85
C[N@H+](CCCCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300012666818	0	55	0.0	-81.89	439.42	9.08	-72.81
C[N@@H+](CCCCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300012666818	1	55	0.0	-81.36	439.32	9.15	-72.21
C[N@H+](CCCCNC(=O)N1CCCCCC1C(=O)[O-])C1CC1	REAL300012666819	0	51	0.0	-80.94	370.19	9.58	-71.36
C[N@@H+](CCCCNC(=O)N1CCCCCC1C(=O)[O-])C1CC1	REAL300012666819	1	51	0.0	-81.22	370.33	9.61	-71.61
C[N@H+](CCCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CC1	REAL300012666820	0	54	0.0	-62.02	426.43	11.71	-50.31
C[N@@H+](CCCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CC1	REAL300012666820	1	54	0.0	-62.30	426.43	11.70	-50.60
C[N@H+](CCCCNC(=O)N(CC(=O)[O-])C1CCCC1)C1CC1	REAL300012666821	0	51	0.0	-60.60	381.38	9.49	-51.11
C[N@@H+](CCCCNC(=O)N(CC(=O)[O-])C1CCCC1)C1CC1	REAL300012666821	1	51	0.0	-60.31	381.52	9.51	-50.80
CCCCCC(NC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300012666822	0	53	0.0	-73.39	411.59	8.44	-64.95
CCCCCC(NC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012666822	1	53	0.0	-72.65	410.76	8.47	-64.18
CCC1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)(C(=O)[O-])CC1	REAL300012666823	0	57	0.0	-77.11	415.83	9.60	-67.51
CCC1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)(C(=O)[O-])CC1	REAL300012666823	1	57	0.0	-77.18	415.69	9.59	-67.59
C[N@H+](CCCCNC(=O)N(CC(=O)[O-])C1CCOCC1)C1CC1	REAL300012666824	0	52	0.0	-61.03	389.80	7.83	-53.20
C[N@@H+](CCCCNC(=O)N(CC(=O)[O-])C1CCOCC1)C1CC1	REAL300012666824	1	52	0.0	-60.79	389.94	7.84	-52.95
CN(C(=O)NCCCC[N@H+](C)C1CC1)C1(C(=O)[O-])CCCC1	REAL300012666825	0	51	0.0	-79.91	372.55	8.93	-70.98
CN(C(=O)NCCCC[N@@H+](C)C1CC1)C1(C(=O)[O-])CCCC1	REAL300012666825	1	51	0.0	-79.75	372.55	8.92	-70.83
CCC(C(=O)[O-])N(C(=O)NCCCC[N@H+](C)C1CC1)C1CC1	REAL300012666826	0	51	0.0	-72.75	379.19	9.69	-63.06
CCC(C(=O)[O-])N(C(=O)NCCCC[N@@H+](C)C1CC1)C1CC1	REAL300012666826	1	51	0.0	-72.42	379.06	9.68	-62.74
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1CC1	REAL300012666827	0	48	0.0	-76.31	394.01	8.66	-67.65
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1CC1	REAL300012666827	1	48	0.0	-77.00	395.36	8.64	-68.36
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1CC1	REAL300012666828	0	48	0.0	-80.68	387.67	8.28	-72.40
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1CC1	REAL300012666828	1	48	0.0	-81.00	387.80	8.30	-72.70
C[N@H+](CCCCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1CC1	REAL300012666829	0	52	0.0	-63.90	398.18	10.61	-53.29
C[N@@H+](CCCCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1CC1	REAL300012666829	1	52	0.0	-63.74	398.32	10.63	-53.11
C[N@H+](CCCCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C1CC1	REAL300012666830	0	51	0.0	-78.18	420.92	9.45	-68.73
C[N@@H+](CCCCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C1CC1	REAL300012666830	1	51	0.0	-77.53	420.70	9.53	-68.00
C[N@H+](CCCCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C1CC1	REAL300012666831	0	57	0.0	-78.53	448.96	11.26	-67.27
C[N@@H+](CCCCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C1CC1	REAL300012666831	1	57	0.0	-78.78	449.29	11.17	-67.61
C[N@H+](CCCCNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CC1	REAL300012666832	0	57	0.0	-74.10	427.48	9.32	-64.78
C[N@@H+](CCCCNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CC1	REAL300012666832	1	57	0.0	-73.98	427.37	9.41	-64.57
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[N@H+](C)C1CC1	REAL300012666833	0	54	0.0	-60.04	415.99	11.50	-48.54
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[N@@H+](C)C1CC1	REAL300012666833	1	54	0.0	-59.84	415.99	11.50	-48.34
CC1=CC=C(C(NC(=O)NCCCC[N@@H+](C)C2CC2)C(=O)[O-])C=C1	REAL300012666834	0	51	0.0	-75.43	404.66	8.87	-66.56
CC1=CC=C(C(NC(=O)NCCCC[N@H+](C)C2CC2)C(=O)[O-])C=C1	REAL300012666834	1	51	0.0	-75.41	404.64	8.86	-66.55
C[N@H+](CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CC1	REAL300012666835	0	44	0.0	-67.92	363.03	6.81	-61.11
C[N@@H+](CCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CC1	REAL300012666835	1	44	0.0	-67.46	362.20	6.83	-60.63
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CC1	REAL300012666836	0	54	0.0	-76.60	429.02	10.53	-66.07
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CC1	REAL300012666836	1	54	0.0	-76.45	429.02	10.52	-65.93
C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CCSCC1)C1CC1	REAL300012666837	0	49	0.0	-73.36	374.31	8.03	-65.33
C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CCSCC1)C1CC1	REAL300012666837	1	49	0.0	-73.18	374.31	8.02	-65.16
COCC(C)(NC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300012666838	0	48	0.0	-77.72	369.48	5.77	-71.95
COCC(C)(NC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012666838	1	48	0.0	-77.51	369.48	5.78	-71.73
CCOCC(C(=O)[O-])N(C)C(=O)NCCCC[N@H+](C)C1CC1	REAL300012666839	0	51	0.0	-71.00	389.24	7.48	-63.52
CCOCC(C(=O)[O-])N(C)C(=O)NCCCC[N@@H+](C)C1CC1	REAL300012666839	1	51	0.0	-70.67	389.74	7.59	-63.08
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[N@H+](C)C1CC1	REAL300012666840	0	57	0.0	-59.14	432.09	12.28	-46.86
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCC[N@@H+](C)C1CC1	REAL300012666840	1	57	0.0	-58.88	432.10	12.28	-46.60
C[N@H+](CCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CC1	REAL300012666841	0	47	0.0	-60.53	384.66	9.07	-51.46
C[N@@H+](CCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CC1	REAL300012666841	1	47	0.0	-60.78	384.66	9.06	-51.72
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1CCCCC1)C1CC1	REAL300012666842	0	54	0.0	-75.02	400.16	8.41	-66.61
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1CCCCC1)C1CC1	REAL300012666842	1	54	0.0	-74.86	400.17	8.40	-66.46
CN(C(=O)NCCCC[N@H+](C)C1CC1)C(COC1CCC1)C(=O)[O-]	REAL300012666843	0	55	0.0	-72.07	415.85	8.90	-63.17
CN(C(=O)NCCCC[N@@H+](C)C1CC1)C(COC1CCC1)C(=O)[O-]	REAL300012666843	1	55	0.0	-71.80	416.40	8.89	-62.91
C[N@H+](CCCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1CC1	REAL300012666844	0	55	0.0	-82.90	421.23	12.30	-70.60
C[N@@H+](CCCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1CC1	REAL300012666844	1	55	0.0	-83.17	421.36	12.32	-70.85
C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CCOCC1)C1CC1	REAL300012666845	0	49	0.0	-76.32	368.04	5.84	-70.48
C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CCOCC1)C1CC1	REAL300012666845	1	49	0.0	-76.18	368.04	5.83	-70.35
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@H+](C)C1CC1	REAL300012666846	0	54	0.0	-55.97	412.92	12.02	-43.95
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@@H+](C)C1CC1	REAL300012666846	1	54	0.0	-56.30	412.90	12.01	-44.29
COC1=CC=C(C(NC(=O)NCCCC[N@H+](C)C2CC2)C(=O)[O-])C=C1	REAL300012666847	0	52	0.0	-74.95	412.72	7.48	-67.47
COC1=CC=C(C(NC(=O)NCCCC[N@@H+](C)C2CC2)C(=O)[O-])C=C1	REAL300012666847	1	52	0.0	-74.36	412.12	7.51	-66.85
CCC(COC)(NC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300012666848	0	51	0.0	-79.02	386.15	6.68	-72.34
CCC(COC)(NC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012666848	1	51	0.0	-78.88	386.15	6.69	-72.19
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCCC[N@H+](C)C1CC1	REAL300012666849	0	54	0.0	-71.56	409.14	8.36	-63.20
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCCC[N@@H+](C)C1CC1	REAL300012666849	1	54	0.0	-71.02	408.96	8.25	-62.77
C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1	REAL300012666850	0	51	0.0	-78.04	393.14	4.33	-73.71
C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC1	REAL300012666850	1	51	0.0	-77.97	393.16	4.31	-73.66
COCCC(NC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300012666851	0	48	0.0	-73.02	379.94	5.20	-67.82
COCCC(NC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012666851	1	48	0.0	-72.82	379.94	5.20	-67.62
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCC[N@H+](C)C1CC1	REAL300012666852	0	53	0.0	-70.62	395.38	9.45	-61.17
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCC[N@@H+](C)C1CC1	REAL300012666852	1	53	0.0	-70.48	395.38	9.46	-61.02
C[N@H+](CCCCNC(=O)NC(CC(F)F)C(=O)[O-])C1CC1	REAL300012666853	0	44	0.0	-72.46	359.45	6.41	-66.05
C[N@@H+](CCCCNC(=O)NC(CC(F)F)C(=O)[O-])C1CC1	REAL300012666853	1	44	0.0	-68.46	356.89	6.65	-61.81
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCC[N@H+](C)C1CC1	REAL300012666854	0	54	0.0	-82.38	397.77	10.54	-71.84
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCC[N@@H+](C)C1CC1	REAL300012666854	1	54	0.0	-82.00	397.63	10.54	-71.46
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@H+](C)C1CC1	REAL300012666855	0	54	0.0	-74.74	414.89	11.68	-63.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCC[N@@H+](C)C1CC1	REAL300012666855	1	54	0.0	-74.85	414.89	11.67	-63.18
CCC(NC(=O)NCCCC[N@H+](C)C1CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012666856	0	54	0.0	-73.17	424.70	10.35	-62.82
CCC(NC(=O)NCCCC[N@@H+](C)C1CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012666856	1	54	0.0	-72.94	424.69	10.37	-62.57
CCC(NC(=O)NCCCC[N@H+](C)C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012666857	0	54	0.0	-76.47	408.03	9.86	-66.61
CCC(NC(=O)NCCCC[N@@H+](C)C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012666857	1	54	0.0	-76.65	408.03	9.87	-66.78
COC1CCCC(C(NC(=O)NCCCC[N@H+](C)C2CC2)C(=O)[O-])C1	REAL300012666858	0	58	0.0	-79.27	433.27	7.32	-71.95
COC1CCCC(C(NC(=O)NCCCC[N@@H+](C)C2CC2)C(=O)[O-])C1	REAL300012666858	1	58	0.0	-78.63	432.62	7.40	-71.23
COC1(CC(NC(=O)NCCCC[N@H+](C)C2CC2)C(=O)[O-])CCC1	REAL300012666859	0	55	0.0	-75.47	418.73	7.22	-68.25
COC1(CC(NC(=O)NCCCC[N@@H+](C)C2CC2)C(=O)[O-])CCC1	REAL300012666859	1	55	0.0	-75.90	418.84	7.13	-68.77
C[N@H+](CCCCNC(=O)N(CC(=O)[O-])C1CCOCC1)C1CC1	REAL300012666860	0	52	0.0	-61.03	389.80	7.83	-53.20
C[N@@H+](CCCCNC(=O)N(CC(=O)[O-])C1CCOCC1)C1CC1	REAL300012666860	1	52	0.0	-60.79	389.94	7.84	-52.95
C[N@H+](CCCCNC(=O)N(CC(=O)[O-])C1CCCCC1)C1CC1	REAL300012666861	0	54	0.0	-61.08	398.76	10.21	-50.87
C[N@@H+](CCCCNC(=O)N(CC(=O)[O-])C1CCCCC1)C1CC1	REAL300012666861	1	54	0.0	-61.04	398.75	10.20	-50.84
C[C@H]1CC[C@@](NC(=O)NCCCC[N@H+](C)C2CC2)(C(=O)[O-])CC1	REAL300012666862	0	54	0.0	-77.52	390.55	8.72	-68.80
C[C@H]1CC[C@@](NC(=O)NCCCC[N@@H+](C)C2CC2)(C(=O)[O-])CC1	REAL300012666862	1	54	0.0	-77.36	390.42	8.71	-68.65
COC1=CC=CC(C(NC(=O)NCCCC[N@H+](C)C2CC2)C(=O)[O-])=C1	REAL300012666863	0	52	0.0	-77.13	412.13	7.50	-69.63
COC1=CC=CC(C(NC(=O)NCCCC[N@@H+](C)C2CC2)C(=O)[O-])=C1	REAL300012666863	1	52	0.0	-76.93	412.13	7.51	-69.42
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)C1CC1	REAL300012666864	0	48	0.0	-75.44	397.37	8.71	-66.73
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)C1CC1	REAL300012666864	1	48	0.0	-76.16	398.53	8.69	-67.47
C[N@H+](CCCCNC(=O)NC(C)(CCF)C(=O)[O-])C1CC1	REAL300012666865	0	47	0.0	-70.16	357.82	6.64	-63.52
C[N@@H+](CCCCNC(=O)NC(C)(CCF)C(=O)[O-])C1CC1	REAL300012666865	1	47	0.0	-70.37	357.83	6.63	-63.74
C[N@H+](CCCCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1CC1	REAL300012666866	0	49	0.0	-65.33	380.01	8.67	-56.66
C[N@@H+](CCCCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1CC1	REAL300012666866	1	49	0.0	-65.56	380.15	8.68	-56.88
C[N@H+](CCCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1CC1	REAL300012666867	0	45	0.0	-73.30	359.62	7.88	-65.42
C[N@@H+](CCCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1CC1	REAL300012666867	1	45	0.0	-73.25	359.77	7.90	-65.35
COC1=CC=CC([C@H](NC(=O)NCCCC[N@H+](C)C2CC2)C(=O)[O-])=C1	REAL300012666868	0	52	0.0	-77.13	412.13	7.50	-69.63
COC1=CC=CC([C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)C(=O)[O-])=C1	REAL300012666868	1	52	0.0	-77.52	412.73	7.47	-70.05
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCC[N@H+](C)C2CC2)C1	REAL300012666869	0	54	0.0	-81.62	412.03	9.91	-71.71
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCC[N@@H+](C)C2CC2)C1	REAL300012666869	1	54	0.0	-81.45	411.89	9.90	-71.55
COC1=CC=CC(CC(NC(=O)NCCCC[N@H+](C)C2CC2)C(=O)[O-])=C1	REAL300012666870	0	55	0.0	-74.66	435.12	8.46	-66.20
COC1=CC=CC(CC(NC(=O)NCCCC[N@@H+](C)C2CC2)C(=O)[O-])=C1	REAL300012666870	1	55	0.0	-73.98	434.74	8.49	-65.49
C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1CC1	REAL300012666871	0	57	0.0	-78.61	404.53	9.20	-69.41
C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1CC1	REAL300012666871	1	57	0.0	-78.39	404.54	9.21	-69.18
C[N@H+](CCCCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1CC1	REAL300012666872	0	54	0.0	-72.89	425.38	9.84	-63.05
C[N@@H+](CCCCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1CC1	REAL300012666872	1	54	0.0	-72.68	425.38	9.83	-62.85
C[N@H+](CCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300012666873	0	53	0.0	-71.40	419.27	9.65	-61.75
C[N@@H+](CCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300012666873	1	53	0.0	-78.42	419.29	9.64	-68.78
COC1CN(C(=O)NCCCC[N@H+](C)C2CC2)C(C)(C(=O)[O-])C1	REAL300012666874	0	52	0.0	-79.44	396.25	7.55	-71.89
COC1CN(C(=O)NCCCC[N@@H+](C)C2CC2)C(C)(C(=O)[O-])C1	REAL300012666874	1	52	0.0	-79.68	396.25	7.56	-72.12
C[N@H+](CCCCNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1CC1	REAL300012666875	0	55	0.0	-73.56	418.49	6.96	-66.60
C[N@@H+](CCCCNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1CC1	REAL300012666875	1	55	0.0	-73.14	418.39	7.02	-66.12
C=C(Cl)CC(NC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012666876	0	45	0.0	-73.17	375.53	7.20	-65.97
C=C(Cl)CC(NC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300012666876	1	45	0.0	-73.37	375.53	7.19	-66.18
C[N@H+](CCCCNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1CC1	REAL300012666877	0	49	0.0	-86.91	367.64	9.48	-77.43
C[N@@H+](CCCCNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1CC1	REAL300012666877	1	49	0.0	-86.91	367.65	9.47	-77.44
C[N@H+](CCCCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1CC1	REAL300012666878	0	54	0.0	-73.41	415.06	9.39	-64.02
C[N@@H+](CCCCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1CC1	REAL300012666878	1	54	0.0	-73.25	415.06	9.38	-63.87
C[N@H+](CCCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CC1	REAL300012666879	0	45	0.0	-72.77	358.83	8.20	-64.57
C[N@@H+](CCCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CC1	REAL300012666879	1	45	0.0	-73.41	359.78	7.89	-65.52
C[N@H+](CCCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CC1	REAL300012666880	0	45	0.0	-77.29	353.10	7.82	-69.47
C[N@@H+](CCCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CC1	REAL300012666880	1	45	0.0	-77.64	353.24	7.83	-69.81
C[N@H+](CCCCNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1CC1	REAL300012666881	0	55	0.0	-73.58	414.35	7.59	-65.99
C[N@@H+](CCCCNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1CC1	REAL300012666881	1	55	0.0	-74.90	418.56	6.92	-67.98
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1CCOCC1)C1CC1	REAL300012666882	0	52	0.0	-76.38	391.02	5.98	-70.40
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1CCOCC1)C1CC1	REAL300012666882	1	52	0.0	-77.01	391.59	5.90	-71.11
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300012666883	0	48	0.0	-75.24	383.23	8.19	-67.05
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300012666883	1	48	0.0	-74.79	382.63	8.21	-66.58
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300012666884	0	51	0.0	-73.98	421.98	9.18	-64.80
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300012666884	1	51	0.0	-73.57	421.37	9.20	-64.37
C[N@H+](CCCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1CC1	REAL300012666885	0	47	0.0	-72.29	392.06	6.30	-65.99
C[N@@H+](CCCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1CC1	REAL300012666885	1	47	0.0	-72.44	392.07	6.29	-66.15
CC(C)CCCC(NC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300012666886	0	56	0.0	-72.81	428.33	8.98	-63.83
CC(C)CCCC(NC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012666886	1	56	0.0	-72.60	428.33	8.98	-63.62
C[N@H+](CCCCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1CC1	REAL300012666887	0	54	0.0	-77.57	435.00	9.58	-67.99
C[N@@H+](CCCCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1CC1	REAL300012666887	1	54	0.0	-77.47	434.90	9.67	-67.80
C[N@H+](CCCCNC(=O)NC(CC1CCCO1)C(=O)[O-])C1CC1	REAL300012666888	0	52	0.0	-77.67	403.05	6.56	-71.11
C[N@@H+](CCCCNC(=O)NC(CC1CCCO1)C(=O)[O-])C1CC1	REAL300012666888	1	52	0.0	-77.48	403.05	6.56	-70.92
CSCC(NC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300012666889	0	45	0.0	-71.26	370.57	6.52	-64.74
CSCC(NC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012666889	1	45	0.0	-70.44	369.89	6.57	-63.87
C[N@H+](CCCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CC1	REAL300012666890	0	51	0.0	-72.93	411.89	9.21	-63.72
C[N@@H+](CCCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CC1	REAL300012666890	1	51	0.0	-72.39	411.70	9.26	-63.13
CCC(C)CC(NC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300012666891	0	53	0.0	-73.78	404.03	8.07	-65.71
CCC(C)CC(NC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012666891	1	53	0.0	-73.02	403.20	8.09	-64.93
C=CCCCC(NC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012666892	0	51	0.0	-72.89	402.90	8.23	-64.66
C=CCCCC(NC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300012666892	1	51	0.0	-72.43	402.08	8.23	-64.20
C[N@H+](CCCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CC1	REAL300012666893	0	51	0.0	-72.77	411.87	9.20	-63.57
C[N@@H+](CCCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CC1	REAL300012666893	1	51	0.0	-72.33	411.05	9.20	-63.13
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C1CC1	REAL300012666894	0	54	0.0	-78.77	423.14	10.37	-68.40
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C1CC1	REAL300012666894	1	54	0.0	-71.83	423.47	10.60	-61.23
C[N@H+](CCCCNC(=O)N1CCSCC1C(=O)[O-])C1CC1	REAL300012666895	0	46	0.0	-80.30	357.01	9.16	-71.14
C[N@@H+](CCCCNC(=O)N1CCSCC1C(=O)[O-])C1CC1	REAL300012666895	1	46	0.0	-80.49	357.15	9.17	-71.32
C[N@H+](CCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300012666896	0	51	0.0	-75.62	391.05	8.96	-66.66
C[N@@H+](CCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300012666896	1	51	0.0	-75.81	391.06	8.97	-66.84
C[N@H+](CCCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1CC1	REAL300012666897	0	49	0.0	-85.48	367.40	9.60	-75.88
C[N@@H+](CCCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1CC1	REAL300012666897	1	49	0.0	-86.08	367.66	9.58	-76.50
C[N@H+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CC1	REAL300012666898	0	44	0.0	-68.66	359.65	8.45	-60.21
C[N@@H+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CC1	REAL300012666898	1	44	0.0	-68.56	359.65	8.43	-60.13
C[N@H+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CC1	REAL300012666899	0	44	0.0	-68.66	359.65	8.45	-60.21
C[N@@H+](CCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CC1	REAL300012666899	1	44	0.0	-68.56	359.65	8.43	-60.13
C[N@H+](CCCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1CC1	REAL300012666900	0	57	0.0	-61.69	433.37	6.41	-55.28
C[N@@H+](CCCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1CC1	REAL300012666900	1	57	0.0	-61.91	433.37	6.40	-55.51
CN1CCN(CCN(CC(=O)[O-])C(=O)NCCCC[N@H+](C)C2CC2)CC1	REAL300012666901	1	61	0.0	-61.60	452.34	5.90	-55.70
CN1CCN(CCN(CC(=O)[O-])C(=O)NCCCC[N@@H+](C)C2CC2)CC1	REAL300012666901	1	61	0.0	-61.91	452.20	5.88	-56.03
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCCC[N@@H+](C)C1CC1	REAL300012666902	0	52	0.0	-59.77	401.64	10.97	-48.80
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCCC[N@H+](C)C1CC1	REAL300012666902	1	52	0.0	-59.91	401.78	10.98	-48.93
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCCC[N@H+](C)C2CC2)[C@H]1C(=O)[O-]	REAL300012666903	0	55	0.0	-64.38	410.37	11.28	-53.10
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCCC[N@@H+](C)C2CC2)[C@H]1C(=O)[O-]	REAL300012666903	1	55	0.0	-64.13	410.24	11.26	-52.87
C[N@H+](CCCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C1CC1	REAL300012666904	0	53	0.0	-73.06	402.94	9.33	-63.73
C[N@@H+](CCCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C1CC1	REAL300012666904	1	53	0.0	-73.15	402.95	9.33	-63.82
C[N@H+](CCCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300012666905	0	48	0.0	-75.05	383.03	8.28	-66.77
C[N@@H+](CCCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300012666905	1	48	0.0	-75.15	383.28	8.18	-66.97
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300012666906	0	51	0.0	-70.83	422.00	9.19	-61.64
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300012666906	1	51	0.0	-70.80	422.14	9.21	-61.59
C[N@H+](CCCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1CC1	REAL300012666907	0	53	0.0	-74.85	423.14	8.21	-66.64
C[N@@H+](CCCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1CC1	REAL300012666907	1	53	0.0	-74.67	423.14	8.20	-66.47
C[N@H+](CCCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1CC1	REAL300012666908	0	47	0.0	-76.12	391.81	6.20	-69.92
C[N@@H+](CCCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1CC1	REAL300012666908	1	47	0.0	-75.95	391.81	6.19	-69.76
C[N@H+](CCCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1CC1	REAL300012666909	0	48	0.0	-69.71	411.56	7.94	-61.77
C[N@@H+](CCCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1CC1	REAL300012666909	1	48	0.0	-69.31	410.74	7.94	-61.37
C[N@H+](CCCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1CC1	REAL300012666910	0	48	0.0	-88.48	376.36	5.59	-82.89
C[N@@H+](CCCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1CC1	REAL300012666910	1	48	0.0	-88.51	376.36	5.60	-82.91
CN1CC(C(=O)[O-])N(C(=O)NCCCC[N@H+](C)C2CC2)CC1=O	REAL300012666911	0	49	0.0	-74.57	374.26	7.29	-67.28
CN1CC(C(=O)[O-])N(C(=O)NCCCC[N@@H+](C)C2CC2)CC1=O	REAL300012666911	1	49	0.0	-74.53	374.12	7.29	-67.24
C[N@H+](CCCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300012666912	0	48	0.0	-75.25	383.24	8.18	-67.07
C[N@@H+](CCCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300012666912	1	48	0.0	-74.78	382.63	8.21	-66.57
C[N@H+](CCCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1CC1	REAL300012666913	0	51	0.0	-76.88	392.72	7.51	-69.37
C[N@@H+](CCCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1CC1	REAL300012666913	1	51	0.0	-74.77	397.07	7.57	-67.20
C[N@H+](CCCCNC(=O)N(CC(=O)[O-])C1CCCC1)C1CC1	REAL300012666914	0	51	0.0	-60.60	381.38	9.49	-51.11
C[N@@H+](CCCCNC(=O)N(CC(=O)[O-])C1CCCC1)C1CC1	REAL300012666914	1	51	0.0	-60.31	381.52	9.51	-50.80
C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1CC1	REAL300012666915	0	49	0.0	-82.88	378.77	4.02	-78.86
C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1CC1	REAL300012666915	1	49	0.0	-83.22	378.91	4.03	-79.19
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300012666916	0	57	0.0	-74.98	427.54	7.29	-67.69
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012666916	1	57	0.0	-76.20	430.55	7.38	-68.82
CC1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)(C(=O)[O-])C1	REAL300012666917	0	51	0.0	-77.55	383.31	7.87	-69.68
CC1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)(C(=O)[O-])C1	REAL300012666917	1	51	0.0	-77.55	383.17	7.86	-69.69
C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1CC1	REAL300012666918	0	54	0.0	-78.49	391.04	8.47	-70.02
C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1CC1	REAL300012666918	1	54	0.0	-78.47	391.17	8.49	-69.98
COCCC(NC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300012666919	0	48	0.0	-73.02	379.94	5.20	-67.82
COCCC(NC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012666919	1	48	0.0	-72.82	379.94	5.20	-67.62
CN(C(=O)NCCCC[N@H+](C)C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012666920	0	54	0.0	-72.19	414.10	11.05	-61.14
CN(C(=O)NCCCC[N@@H+](C)C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012666920	1	54	0.0	-72.30	414.10	11.06	-61.24
C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CC1	REAL300012666921	0	51	0.0	-78.83	384.43	8.53	-70.30
C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CC1	REAL300012666921	1	51	0.0	-79.18	384.57	8.54	-70.64
CC1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012666922	0	58	0.0	-80.25	432.05	10.56	-69.69
CC1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012666922	1	58	0.0	-80.46	432.04	10.57	-69.89
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300012666923	0	57	0.0	-75.84	431.14	7.32	-68.52
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012666923	1	57	0.0	-75.95	431.64	7.35	-68.60
C[N@H+](CCCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1CC1	REAL300012666924	0	56	0.0	-65.08	425.44	11.76	-53.32
C[N@@H+](CCCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1CC1	REAL300012666924	1	56	0.0	-65.32	425.58	11.76	-53.56
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1CCOC1)C1CC1	REAL300012666925	0	49	0.0	-71.86	381.63	5.26	-66.60
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1CCOC1)C1CC1	REAL300012666925	1	49	0.0	-72.04	379.33	5.16	-66.88
C[N@H+](CCCCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1CC1	REAL300012666926	0	49	0.0	-83.53	367.82	9.16	-74.37
C[N@@H+](CCCCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1CC1	REAL300012666926	1	49	0.0	-83.88	367.96	9.18	-74.70
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1CC1	REAL300012666927	0	52	0.0	-82.27	414.93	8.33	-73.94
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1CC1	REAL300012666927	1	52	0.0	-82.61	415.40	8.25	-74.36
C[N@H+](CCCCNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1CC1	REAL300012666928	0	47	0.0	-80.68	360.48	6.85	-73.83
C[N@@H+](CCCCNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1CC1	REAL300012666928	1	47	0.0	-80.69	360.59	6.86	-73.83
CC1CCC(C(=O)[O-])N(C(=O)NCCCC[N@H+](C)C2CC2)C1	REAL300012666929	0	51	0.0	-83.03	378.02	9.89	-73.14
CC1CCC(C(=O)[O-])N(C(=O)NCCCC[N@@H+](C)C2CC2)C1	REAL300012666929	1	51	0.0	-82.98	378.03	9.88	-73.10
CC(C1=CC=CC=C1)C(NC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300012666930	0	54	0.0	-73.74	420.42	9.47	-64.27
CC(C1=CC=CC=C1)C(NC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300012666930	1	54	0.0	-73.60	420.42	9.47	-64.13
C[N@H+](CCCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CC1	REAL300012666931	0	55	0.0	-73.08	415.10	9.99	-63.09
C[N@@H+](CCCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CC1	REAL300012666931	1	55	0.0	-72.91	415.08	9.98	-62.93
C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1CC1	REAL300012666932	0	61	0.0	-76.05	440.49	8.89	-67.16
C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1CC1	REAL300012666932	1	61	0.0	-75.89	440.50	8.87	-67.02
C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1CCCCC1)C1CC1	REAL300012666933	0	54	0.0	-75.02	400.16	8.41	-66.61
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1CCCCC1)C1CC1	REAL300012666933	1	54	0.0	-74.86	400.17	8.40	-66.46
C[N@H+](CCCCNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1CC1	REAL300012666934	0	55	0.0	-76.56	420.48	7.30	-69.26
C[N@@H+](CCCCNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1CC1	REAL300012666934	1	55	0.0	-76.90	420.62	7.32	-69.58
C[N@H+](CCCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1CC1	REAL300012666935	0	55	0.0	-57.44	392.49	9.84	-47.60
C[N@@H+](CCCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1CC1	REAL300012666935	1	55	0.0	-57.17	393.00	9.85	-47.32
C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1CC1	REAL300012666936	0	55	0.0	-77.23	397.14	7.14	-70.09
C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1CC1	REAL300012666936	1	55	0.0	-77.16	397.28	7.15	-70.01
C[N@H+](CCCCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300012666937	0	54	0.0	-75.58	443.47	10.46	-65.12
C[N@@H+](CCCCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300012666937	1	54	0.0	-75.41	443.47	10.45	-64.96
CC1=CC=CC2=C1CCN(C(=O)NCCCC[N@@H+](C)C1CC1)C2C(=O)[O-]	REAL300012666938	0	55	0.0	-65.65	415.61	11.16	-54.49
CC1=CC=CC2=C1CCN(C(=O)NCCCC[N@H+](C)C1CC1)C2C(=O)[O-]	REAL300012666938	1	55	0.0	-65.88	415.74	11.18	-54.70
C[N@H+](CCCCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1CC1	REAL300012666939	0	49	0.0	-59.67	368.88	9.05	-50.62
C[N@@H+](CCCCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1CC1	REAL300012666939	1	49	0.0	-59.33	369.03	9.07	-50.26
C[N@H+](CCCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CC1	REAL300012666940	0	55	0.0	-73.08	415.10	9.99	-63.09
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C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1CC1	REAL300012666970	0	48	0.0	-73.56	382.18	7.73	-65.83
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CC(C)C1=CC=C(C(NC(=O)NCCCC[N@H+](C)C2CC2)C(=O)[O-])C=C1	REAL300012666973	0	57	0.0	-74.79	443.51	10.11	-64.68
CC(C)C1=CC=C(C(NC(=O)NCCCC[N@@H+](C)C2CC2)C(=O)[O-])C=C1	REAL300012666973	1	57	0.0	-74.79	443.48	10.12	-64.67
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CCOC1=CC=C(C(NC(=O)NCCCC[N@H+](C)C2CC2)C(=O)[O-])C=C1	REAL300012666977	0	55	0.0	-74.24	433.98	8.44	-65.80
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C[N@H+](CCCCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300012666980	0	55	0.0	-79.39	425.69	9.24	-70.15
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C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1CC1	REAL300012666986	0	52	0.0	-77.20	385.17	8.72	-68.48
C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1CC1	REAL300012666986	1	52	0.0	-77.19	385.31	8.73	-68.46
C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CCC2CC21)C1CC1	REAL300012666987	0	49	0.0	-78.90	369.59	8.07	-70.83
C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CCC2CC21)C1CC1	REAL300012666987	1	49	0.0	-79.02	369.59	8.06	-70.96
C[N@H+](CCCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1CC1	REAL300012666988	0	52	0.0	-77.33	390.85	8.46	-68.87
C[N@@H+](CCCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1CC1	REAL300012666988	1	52	0.0	-77.17	390.85	8.45	-68.72
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C[N@H+](CCCCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1CC1	REAL300012666990	0	58	0.0	-58.89	421.79	10.50	-48.39
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C[N@H+](CCCCNC(=O)NC(C(=O)[O-])C1CCCC1)C1CC1	REAL300012666991	0	51	0.0	-74.62	383.57	7.61	-67.01
C[N@@H+](CCCCNC(=O)NC(C(=O)[O-])C1CCCC1)C1CC1	REAL300012666991	1	51	0.0	-74.23	383.26	7.70	-66.53
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C[N@@H+](CCCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1CC1	REAL300012666993	1	51	0.0	-61.59	404.02	10.93	-50.66
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CN1C=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012669735	0	53	0.0	-67.64	415.50	5.88	-61.76
CCCCN1C=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)=N1	REAL300012670013	0	62	0.0	-67.27	479.85	8.18	-59.09
CC(C)C(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CN=C1	REAL300012670615	0	61	0.0	-58.81	456.06	7.79	-51.02
CC(C)C1OCCCC1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012671184	0	63	0.0	-63.88	454.89	7.30	-56.58
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)S(C)(=O)=O)CC1	REAL300012671475	0	55	0.0	-76.74	416.30	3.42	-73.32
CCC1(O)CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012672214	0	60	0.0	-58.63	428.16	5.54	-53.09
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3(CCOCC3)CC2)CC1	REAL300012672783	0	64	0.0	-63.14	452.47	7.06	-56.08
C=CCOCC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673264	0	47	0.0	-69.17	372.26	5.15	-64.02
C=CCOCC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673264	1	47	0.0	-67.48	373.22	5.45	-62.03
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C[N@@H+]1C1CC1	REAL300012673265	0	50	0.0	-67.48	372.76	5.36	-62.12
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C[N@H+]1C1CC1	REAL300012673265	1	50	0.0	-71.41	371.59	5.46	-65.95
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C[N@@H+]1C1CC1	REAL300012673266	0	46	0.0	-63.52	374.71	7.54	-55.98
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C[N@H+]1C1CC1	REAL300012673266	1	46	0.0	-65.47	375.98	7.86	-57.61
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C[N@@H+]1C1CC1	REAL300012673267	0	46	0.0	-62.92	384.35	8.07	-54.85
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C[N@H+]1C1CC1	REAL300012673267	1	46	0.0	-65.23	385.86	8.31	-56.92
COC1CCN(C(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(C(=O)[O-])C1	REAL300012673268	0	50	0.0	-78.97	367.51	7.27	-71.70
COC1CCN(C(=O)NC2CC(C)[N@H+](C3CC3)C2)C(C(=O)[O-])C1	REAL300012673268	1	50	0.0	-80.46	365.46	7.39	-73.07
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)C[N@@H+]1C1CC1	REAL300012673269	0	50	0.0	-66.82	373.50	5.48	-61.34
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)C[N@H+]1C1CC1	REAL300012673269	1	50	0.0	-65.99	370.01	5.44	-60.55
CC1CC(NC(=O)N2CCC(C)CC2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673270	0	49	0.0	-78.06	355.96	8.88	-69.18
CC1CC(NC(=O)N2CCC(C)CC2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673270	1	49	0.0	-79.88	353.91	9.00	-70.88
CC1=CC(C(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])=CC=C1F	REAL300012673271	0	49	0.0	-66.25	388.70	8.11	-58.14
CC1=CC(C(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])=CC=C1F	REAL300012673271	1	49	0.0	-64.36	389.34	8.47	-55.89
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C[N@@H+]1C1CC1	REAL300012673272	0	51	0.0	-69.37	397.89	7.27	-62.10
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C[N@H+]1C1CC1	REAL300012673272	1	51	0.0	-67.61	400.68	7.57	-60.04
CC1=CC(C)=CC(C(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])=C1	REAL300012673273	0	52	0.0	-68.92	404.65	8.76	-60.16
CC1=CC(C)=CC(C(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])=C1	REAL300012673273	1	52	0.0	-68.17	407.60	9.05	-59.12
CC1=CC=C(C(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])C=C1C	REAL300012673274	0	52	0.0	-69.89	400.42	8.62	-61.27
CC1=CC=C(C(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])C=C1C	REAL300012673274	1	52	0.0	-69.80	403.82	8.90	-60.90
COC1=CC=C(C(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])C=C1Cl	REAL300012673275	0	50	0.0	-66.40	407.53	7.28	-59.12
COC1=CC=C(C(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])C=C1Cl	REAL300012673275	1	50	0.0	-66.74	410.93	7.55	-59.19
CC1=CC=CC(C(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])=C1C	REAL300012673276	0	52	0.0	-70.42	395.90	8.46	-61.96
CC1=CC=CC(C(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])=C1C	REAL300012673276	1	52	0.0	-69.22	392.26	8.65	-60.57
COC1=CC=C(C(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])C=C1F	REAL300012673277	0	50	0.0	-66.27	397.48	6.88	-59.39
COC1=CC=C(C(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])C=C1F	REAL300012673277	1	50	0.0	-67.05	401.13	7.08	-59.97
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C[N@@H+]1C1CC1	REAL300012673278	0	52	0.0	-52.75	421.31	11.17	-41.58
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C[N@H+]1C1CC1	REAL300012673278	1	52	0.0	-50.11	424.98	11.44	-38.67
CC(C(=O)[O-])N(C(=O)NC1CC(C)[N@@H+](C2CC2)C1)C1CCC1	REAL300012673279	0	49	0.0	-47.18	353.11	8.98	-38.20
CC(C(=O)[O-])N(C(=O)NC1CC(C)[N@H+](C2CC2)C1)C1CCC1	REAL300012673279	1	49	0.0	-55.84	361.59	8.53	-47.31
CCCN(C(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(COC)C(=O)[O-]	REAL300012673280	0	52	0.0	-66.07	382.77	7.49	-58.58
CCCN(C(=O)NC1CC(C)[N@H+](C2CC2)C1)C(COC)C(=O)[O-]	REAL300012673280	1	52	0.0	-67.90	391.45	9.07	-58.83
CCCN(C(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(CC)C(=O)[O-]	REAL300012673281	0	51	0.0	-64.82	371.34	8.78	-56.04
CCCN(C(=O)NC1CC(C)[N@H+](C2CC2)C1)C(CC)C(=O)[O-]	REAL300012673281	1	51	0.0	-66.27	375.83	9.22	-57.05
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C[N@@H+]1C1CC1	REAL300012673282	0	46	0.0	-65.55	383.69	8.25	-57.30
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C[N@H+]1C1CC1	REAL300012673282	1	46	0.0	-64.56	379.96	8.26	-56.30
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673283	0	44	0.0	-73.53	340.75	8.68	-64.85
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673283	1	44	0.0	-78.81	333.09	8.37	-70.44
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)C[N@@H+]1C1CC1	REAL300012673284	0	49	0.0	-70.87	359.69	7.91	-62.96
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)C[N@H+]1C1CC1	REAL300012673284	1	49	0.0	-72.96	352.39	7.46	-65.50
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)C[N@@H+]1C1CC1	REAL300012673285	0	52	0.0	-71.76	365.63	8.28	-63.48
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)C[N@H+]1C1CC1	REAL300012673285	1	52	0.0	-72.54	362.11	8.02	-64.52
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673286	0	49	0.0	-68.98	383.19	8.38	-60.60
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673286	1	49	0.0	-68.34	385.47	8.68	-59.66
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C[N@@H+]1C1CC1	REAL300012673287	0	49	0.0	-51.54	376.42	9.87	-41.67
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C[N@H+]1C1CC1	REAL300012673287	1	49	0.0	-52.22	386.24	10.44	-41.78
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1C1CC1	REAL300012673288	0	46	0.0	-67.76	361.56	7.51	-60.25
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@H+]1C1CC1	REAL300012673288	1	46	0.0	-69.15	365.43	7.69	-61.46
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1C1CC1	REAL300012673289	0	46	0.0	-68.59	361.18	7.46	-61.13
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1C1CC1	REAL300012673289	1	46	0.0	-68.33	363.03	7.82	-60.51
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673290	0	49	0.0	-68.98	383.19	8.38	-60.60
CC1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673290	1	49	0.0	-68.34	385.47	8.68	-59.66
CC1CC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673291	0	50	0.0	-79.14	373.55	10.48	-68.66
CC1CC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673291	1	50	0.0	-80.69	371.08	10.51	-70.18
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C[N@@H+]1C1CC1	REAL300012673292	0	43	0.0	-66.38	352.77	6.55	-59.83
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C[N@H+]1C1CC1	REAL300012673292	1	43	0.0	-66.62	357.28	6.77	-59.85
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)C[N@@H+]1C1CC1	REAL300012673293	0	49	0.0	-70.87	359.69	7.91	-62.96
CC1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)C[N@H+]1C1CC1	REAL300012673293	1	49	0.0	-72.96	352.39	7.46	-65.50
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C[N@@H+]1C1CC1	REAL300012673294	0	49	0.0	-52.75	399.30	10.69	-42.06
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C[N@H+]1C1CC1	REAL300012673294	1	49	0.0	-50.24	402.97	10.96	-39.28
CC1CC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673295	0	53	0.0	-70.29	413.13	8.45	-61.84
CC1CC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673295	1	53	0.0	-68.61	416.51	8.77	-59.84
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NC2CC(C)[N@@H+](C3CC3)C2)=C1	REAL300012673296	0	57	0.0	-53.76	441.74	8.77	-44.99
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NC2CC(C)[N@H+](C3CC3)C2)=C1	REAL300012673296	1	57	0.0	-56.32	445.18	9.05	-47.27
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C[N@@H+]1C1CC1	REAL300012673297	0	46	0.0	-65.42	388.25	8.35	-57.07
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C[N@H+]1C1CC1	REAL300012673297	1	46	0.0	-64.42	384.52	8.36	-56.06
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C[N@@H+]1C1CC1	REAL300012673298	0	49	0.0	-53.03	388.97	10.23	-42.80
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C[N@H+]1C1CC1	REAL300012673298	1	49	0.0	-50.45	392.65	10.51	-39.94
CC1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C[N@@H+]1C1CC1	REAL300012673299	0	50	0.0	-70.45	379.75	8.62	-61.83
CC1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C[N@H+]1C1CC1	REAL300012673299	1	50	0.0	-72.19	378.49	8.57	-63.62
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C[N@@H+]1C1CC1	REAL300012673300	0	46	0.0	-67.07	372.14	7.67	-59.40
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C[N@H+]1C1CC1	REAL300012673300	1	46	0.0	-68.78	372.84	7.85	-60.93
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1C1CC1	REAL300012673301	0	49	0.0	-69.84	369.76	8.21	-61.63
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1C1CC1	REAL300012673301	1	49	0.0	-69.02	370.73	8.55	-60.47
CCCCCCC(C)(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673302	0	57	0.0	-67.94	415.95	8.80	-59.14
CCCCCCC(C)(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673302	1	57	0.0	-66.06	417.23	9.12	-56.94
CC1CC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673303	0	52	0.0	-67.21	397.76	10.59	-56.62
CC1CC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673303	1	52	0.0	-67.29	396.78	10.69	-56.60
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C[N@@H+]1C1CC1	REAL300012673304	0	46	0.0	-65.55	383.69	8.25	-57.30
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C[N@H+]1C1CC1	REAL300012673304	1	46	0.0	-64.56	379.96	8.26	-56.30
CC1CC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)C[N@@H+]1C1CC1	REAL300012673305	0	52	0.0	-74.36	364.39	8.86	-65.50
CC1CC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)C[N@H+]1C1CC1	REAL300012673305	1	52	0.0	-73.11	365.13	9.02	-64.09
CC1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C[N@@H+]1C1CC1	REAL300012673306	0	52	0.0	-55.27	399.76	10.74	-44.53
CC1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C[N@H+]1C1CC1	REAL300012673306	1	52	0.0	-54.51	405.68	11.17	-43.34
CC1CC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1C1CC1	REAL300012673307	0	49	0.0	-66.33	374.26	9.29	-57.04
CC1CC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1C1CC1	REAL300012673307	1	49	0.0	-65.76	372.69	9.28	-56.48
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C[N@@H+]1C1CC1	REAL300012673308	0	50	0.0	-72.42	376.49	8.49	-63.93
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C[N@H+]1C1CC1	REAL300012673308	1	50	0.0	-72.59	380.11	8.78	-63.81
CC1CC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673309	0	53	0.0	-76.36	417.90	8.37	-67.99
CC1CC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673309	1	53	0.0	-75.74	418.37	8.59	-67.15
CC1CC(NC(=O)N2CCCCCC2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673310	0	49	0.0	-74.65	348.01	8.88	-65.77
CC1CC(NC(=O)N2CCCCCC2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673310	1	49	0.0	-75.59	350.45	9.13	-66.46
CC1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C[N@@H+]1C1CC1	REAL300012673311	0	52	0.0	-55.27	399.76	10.74	-44.53
CC1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C[N@H+]1C1CC1	REAL300012673311	1	52	0.0	-54.51	405.68	11.17	-43.34
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)C[N@@H+]1C1CC1	REAL300012673312	0	49	0.0	-49.51	361.16	8.77	-40.74
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)C[N@H+]1C1CC1	REAL300012673312	1	49	0.0	-52.30	360.38	8.93	-43.37
CCCCCC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673313	0	51	0.0	-68.05	390.14	7.69	-60.36
CCCCCC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673313	1	51	0.0	-67.15	391.35	8.06	-59.09
CCC1CCC(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)(C(=O)[O-])CC1	REAL300012673314	0	55	0.0	-71.24	398.75	9.16	-62.08
CCC1CCC(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)(C(=O)[O-])CC1	REAL300012673314	1	55	0.0	-72.94	391.46	8.71	-64.23
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C[N@@H+]1C1CC1	REAL300012673315	0	50	0.0	-52.26	373.62	7.36	-44.90
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C[N@H+]1C1CC1	REAL300012673315	1	50	0.0	-51.64	371.96	7.35	-44.29
CC1CC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)C[N@@H+]1C1CC1	REAL300012673316	0	49	0.0	-73.47	356.75	8.62	-64.85
CC1CC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)C[N@H+]1C1CC1	REAL300012673316	1	49	0.0	-74.05	351.58	8.36	-65.69
CCC(C(=O)[O-])N(C(=O)NC1CC(C)[N@@H+](C2CC2)C1)C1CC1	REAL300012673317	0	49	0.0	-55.57	368.17	9.38	-46.19
CCC(C(=O)[O-])N(C(=O)NC1CC(C)[N@H+](C2CC2)C1)C1CC1	REAL300012673317	1	49	0.0	-67.68	351.59	8.36	-59.32
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C[N@@H+]1C1CC1	REAL300012673318	0	46	0.0	-71.45	374.62	7.84	-63.61
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C[N@H+]1C1CC1	REAL300012673318	1	46	0.0	-70.16	372.38	8.04	-62.12
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C[N@@H+]1C1CC1	REAL300012673319	0	46	0.0	-75.37	366.26	7.46	-67.91
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C[N@H+]1C1CC1	REAL300012673319	1	46	0.0	-74.94	366.68	7.72	-67.22
CC1CC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673320	0	50	0.0	-53.45	376.70	9.86	-43.59
CC1CC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673320	1	50	0.0	-55.46	377.71	9.96	-45.50
CC1CC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673321	0	49	0.0	-67.23	397.94	8.44	-58.79
CC1CC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673321	1	49	0.0	-72.36	402.64	9.04	-63.32
CC1CC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673322	0	55	0.0	-72.14	432.61	10.74	-61.40
CC1CC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673322	1	55	0.0	-71.81	431.27	10.62	-61.19
CC1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673323	0	55	0.0	-68.12	410.91	8.92	-59.20
CC1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673323	1	55	0.0	-66.67	406.60	8.88	-57.79
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC(C)[N@@H+](C2CC2)C1	REAL300012673324	0	52	0.0	-54.50	389.70	10.75	-43.75
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC(C)[N@H+](C2CC2)C1	REAL300012673324	1	52	0.0	-54.57	395.33	11.27	-43.30
CC1=CC=C(C(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012673325	0	49	0.0	-69.27	383.36	8.10	-61.17
CC1=CC=C(C(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012673325	1	49	0.0	-68.82	384.68	8.41	-60.41
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673326	0	42	0.0	-61.19	341.33	6.13	-55.06
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673326	1	42	0.0	-61.32	343.03	6.36	-54.96
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C[N@@H+]1C1CC1	REAL300012673327	0	52	0.0	-70.20	407.74	9.75	-60.45
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C[N@H+]1C1CC1	REAL300012673327	1	52	0.0	-69.56	411.38	9.98	-59.58
CC1CC(NC(=O)NC2(C(=O)[O-])CCSCC2)C[N@@H+]1C1CC1	REAL300012673328	0	47	0.0	-66.18	358.36	7.65	-58.53
CC1CC(NC(=O)NC2(C(=O)[O-])CCSCC2)C[N@H+]1C1CC1	REAL300012673328	1	47	0.0	-67.42	353.67	7.46	-59.96
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@@H+](C2CC2)C1	REAL300012673329	0	49	0.0	-65.21	373.31	7.08	-58.13
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@H+](C2CC2)C1	REAL300012673329	1	49	0.0	-65.71	371.64	6.95	-58.76
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC(C)[N@@H+](C2CC2)C1	REAL300012673330	0	55	0.0	-49.53	403.10	10.72	-38.81
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC(C)[N@H+](C2CC2)C1	REAL300012673330	1	55	0.0	-50.61	408.85	11.07	-39.54
CC1CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C[N@@H+]1C1CC1	REAL300012673331	0	45	0.0	-55.30	363.19	8.32	-46.98
CC1CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C[N@H+]1C1CC1	REAL300012673331	1	45	0.0	-53.73	363.91	8.53	-45.20
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C[N@@H+]1C1CC1	REAL300012673332	0	52	0.0	-67.73	378.42	7.65	-60.08
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C[N@H+]1C1CC1	REAL300012673332	1	52	0.0	-70.12	380.41	7.75	-62.37
CC1CC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673333	0	53	0.0	-65.77	400.96	8.46	-57.31
CC1CC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673333	1	53	0.0	-66.18	399.40	8.45	-57.73
CC1CC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C[N@@H+]1C1CC1	REAL300012673334	0	53	0.0	-75.08	404.32	11.86	-63.22
CC1CC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C[N@H+]1C1CC1	REAL300012673334	1	53	0.0	-75.22	400.10	11.69	-63.53
CC1CC(NC(=O)NC2(C(=O)[O-])CCOCC2)C[N@@H+]1C1CC1	REAL300012673335	0	47	0.0	-71.68	346.51	5.06	-66.62
CC1CC(NC(=O)NC2(C(=O)[O-])CCOCC2)C[N@H+]1C1CC1	REAL300012673335	1	47	0.0	-72.38	343.82	4.98	-67.40
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)[N@@H+](C2CC2)C1	REAL300012673336	0	52	0.0	-46.19	391.89	11.12	-35.07
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)[N@H+](C2CC2)C1	REAL300012673336	1	52	0.0	-48.07	397.12	11.48	-36.59
COC1=CC=C(C(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012673337	0	50	0.0	-68.25	396.50	7.03	-61.22
COC1=CC=C(C(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012673337	1	50	0.0	-68.16	392.53	7.12	-61.04
CCC(COC)(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673338	0	49	0.0	-74.01	364.88	5.90	-68.11
CCC(COC)(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673338	1	49	0.0	-72.70	365.91	6.22	-66.48
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@@H+](C2CC2)C1	REAL300012673339	0	52	0.0	-66.63	392.68	7.80	-58.83
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@H+](C2CC2)C1	REAL300012673339	1	52	0.0	-66.38	392.00	7.83	-58.55
CC1CC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C[N@@H+]1C1CC1	REAL300012673340	0	49	0.0	-74.03	371.60	3.58	-70.45
CC1CC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C[N@H+]1C1CC1	REAL300012673340	1	49	0.0	-74.53	368.91	3.46	-71.07
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@@H+](C2CC2)C1	REAL300012673341	0	51	0.0	-64.63	380.16	9.13	-55.50
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC(C)[N@H+](C2CC2)C1	REAL300012673341	1	51	0.0	-63.85	378.08	9.01	-54.84
CC1CC(NC(=O)NC(CC(F)F)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673342	0	42	0.0	-67.28	337.16	5.66	-61.62
CC1CC(NC(=O)NC(CC(F)F)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673342	1	42	0.0	-67.51	339.45	5.95	-61.56
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC(C)[N@@H+](C2CC2)C1	REAL300012673343	0	52	0.0	-75.59	378.26	9.66	-65.93
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC(C)[N@H+](C2CC2)C1	REAL300012673343	1	52	0.0	-76.46	376.05	9.53	-66.93
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)[N@@H+](C2CC2)C1	REAL300012673344	0	52	0.0	-49.94	392.77	11.05	-38.89
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)[N@H+](C2CC2)C1	REAL300012673344	1	52	0.0	-44.29	394.54	11.31	-32.98
CCC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012673345	0	52	0.0	-66.90	403.24	9.59	-57.31
CCC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012673345	1	52	0.0	-65.76	406.85	9.84	-55.92
CCC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012673346	0	52	0.0	-70.63	386.68	9.05	-61.58
CCC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012673346	1	52	0.0	-69.68	388.03	9.40	-60.28
COC1CCCC(C(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])C1	REAL300012673347	0	56	0.0	-74.05	412.29	6.57	-67.48
COC1CCCC(C(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])C1	REAL300012673347	1	56	0.0	-73.66	412.87	6.75	-66.91
COC1(CC(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])CCC1	REAL300012673348	0	53	0.0	-69.74	395.36	6.78	-62.96
COC1(CC(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])CCC1	REAL300012673348	1	53	0.0	-69.63	400.99	6.70	-62.93
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C[N@@H+]1C1CC1	REAL300012673349	0	50	0.0	-52.26	373.62	7.36	-44.90
CC1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C[N@H+]1C1CC1	REAL300012673349	1	50	0.0	-51.64	371.96	7.35	-44.29
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)C[N@@H+]1C1CC1	REAL300012673350	0	52	0.0	-49.64	377.24	9.44	-40.20
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)C[N@H+]1C1CC1	REAL300012673350	1	52	0.0	-50.12	374.52	9.35	-40.77
CC1CC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C[N@@H+]1C1CC1	REAL300012673351	0	52	0.0	-69.99	368.76	7.95	-62.04
CC1CC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C[N@H+]1C1CC1	REAL300012673351	1	52	0.0	-72.96	366.11	7.86	-65.10
COC1=CC=CC(C(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])=C1	REAL300012673352	0	50	0.0	-71.65	391.45	6.71	-64.94
COC1=CC=CC(C(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])=C1	REAL300012673352	1	50	0.0	-71.01	392.77	7.03	-63.98
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C[N@@H+]1C1CC1	REAL300012673353	0	46	0.0	-70.05	376.75	7.92	-62.13
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C[N@H+]1C1CC1	REAL300012673353	1	46	0.0	-69.28	375.80	8.10	-61.18
CC1CC(NC(=O)NC(C)(CCF)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673354	0	45	0.0	-65.05	336.55	5.85	-59.20
CC1CC(NC(=O)NC(C)(CCF)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673354	1	45	0.0	-62.99	337.82	6.17	-56.82
CC1CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673355	0	47	0.0	-55.73	359.22	8.03	-47.70
CC1CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673355	1	47	0.0	-54.02	356.37	7.96	-46.06
CC1CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673356	0	43	0.0	-67.41	339.60	7.05	-60.36
CC1CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673356	1	43	0.0	-69.47	336.67	6.92	-62.55
COC1=CC=CC([C@H](NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])=C1	REAL300012673357	0	50	0.0	-71.11	391.04	6.80	-64.31
COC1=CC=CC([C@H](NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])=C1	REAL300012673357	1	50	0.0	-70.02	394.37	7.02	-63.00
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC(C)[N@@H+](C3CC3)C2)C1	REAL300012673358	0	52	0.0	-74.86	390.39	9.15	-65.71
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC(C)[N@H+](C3CC3)C2)C1	REAL300012673358	1	52	0.0	-74.39	386.83	7.98	-66.41
COC1=CC=CC(CC(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])=C1	REAL300012673359	0	53	0.0	-67.52	413.51	7.72	-59.80
COC1=CC=CC(CC(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])=C1	REAL300012673359	1	53	0.0	-67.33	414.78	8.05	-59.28
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C[N@@H+]1C1CC1	REAL300012673360	0	55	0.0	-73.26	383.07	8.38	-64.88
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C[N@H+]1C1CC1	REAL300012673360	1	55	0.0	-72.48	383.70	8.71	-63.77
CC1CC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673361	0	52	0.0	-66.71	403.93	9.07	-57.64
CC1CC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673361	1	52	0.0	-66.35	405.39	9.38	-56.97
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C[N@@H+]1C1CC1	REAL300012673362	0	51	0.0	-64.96	397.79	8.90	-56.06
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C[N@H+]1C1CC1	REAL300012673362	1	51	0.0	-63.14	399.03	9.07	-54.07
COC1CN(C(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(C)(C(=O)[O-])C1	REAL300012673363	0	50	0.0	-70.31	373.95	6.85	-63.46
COC1CN(C(=O)NC2CC(C)[N@H+](C3CC3)C2)C(C)(C(=O)[O-])C1	REAL300012673363	1	50	0.0	-72.48	371.57	6.74	-65.74
CC1CC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673364	0	53	0.0	-66.81	392.51	6.95	-59.86
CC1CC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673364	1	53	0.0	-68.70	394.29	6.09	-62.61
C=C(Cl)CC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673365	0	43	0.0	-62.67	353.87	6.54	-56.13
C=C(Cl)CC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673365	1	43	0.0	-67.47	356.36	6.72	-60.75
CC1CC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C[N@@H+]1C1CC1	REAL300012673366	0	47	0.0	-78.22	344.24	8.70	-69.52
CC1CC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C[N@H+]1C1CC1	REAL300012673366	1	47	0.0	-81.85	350.88	8.90	-72.95
CC1CC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673367	0	52	0.0	-67.31	393.60	8.62	-58.69
CC1CC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673367	1	52	0.0	-67.09	395.06	8.93	-58.16
CC1CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673368	0	43	0.0	-67.69	342.90	7.36	-60.33
CC1CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673368	1	43	0.0	-69.07	340.08	7.21	-61.86
CC1CC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673369	0	53	0.0	-69.24	396.27	6.19	-63.05
CC1CC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673369	1	53	0.0	-67.71	394.11	7.21	-60.50
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C[N@@H+]1C1CC1	REAL300012673370	0	50	0.0	-67.48	372.76	5.36	-62.12
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C[N@H+]1C1CC1	REAL300012673370	1	50	0.0	-71.41	371.59	5.46	-65.95
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1C1CC1	REAL300012673371	0	46	0.0	-68.59	361.18	7.46	-61.13
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1C1CC1	REAL300012673371	1	46	0.0	-68.33	363.03	7.82	-60.51
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C[N@@H+]1C1CC1	REAL300012673372	0	49	0.0	-68.14	400.09	8.44	-59.70
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C[N@H+]1C1CC1	REAL300012673372	1	49	0.0	-66.84	403.89	8.77	-58.07
CC1CC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673373	0	45	0.0	-66.22	369.98	5.54	-60.68
CC1CC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673373	1	45	0.0	-68.57	374.42	5.78	-62.79
CC(C)CCCC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673374	0	54	0.0	-67.37	406.88	8.22	-59.15
CC(C)CCCC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673374	1	54	0.0	-67.16	408.92	8.56	-58.60
CC1CC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673375	0	52	0.0	-73.01	413.72	8.82	-64.19
CC1CC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673375	1	52	0.0	-66.29	415.15	9.15	-57.14
CC1CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673376	0	50	0.0	-66.73	380.53	6.14	-60.59
CC1CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673376	1	50	0.0	-67.24	383.39	6.55	-60.69
CSCC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673377	0	43	0.0	-64.67	349.35	5.71	-58.96
CSCC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673377	1	43	0.0	-64.09	350.57	6.08	-58.01
CC1CC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673378	0	49	0.0	-66.67	390.49	8.45	-58.22
CC1CC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673378	1	49	0.0	-67.15	391.18	8.66	-58.49
CCC(C)CC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673379	0	51	0.0	-66.87	382.34	7.38	-59.49
CCC(C)CC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673379	1	51	0.0	-67.31	383.71	7.60	-59.71
C=CCCCC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673380	0	49	0.0	-67.68	381.45	7.47	-60.21
C=CCCCC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673380	1	49	0.0	-67.32	382.66	7.84	-59.48
CC1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673381	0	49	0.0	-67.11	390.18	8.50	-58.61
CC1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673381	1	49	0.0	-66.06	393.79	8.78	-57.28
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C[N@@H+]1C1CC1	REAL300012673382	0	52	0.0	-72.53	402.19	9.59	-62.94
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C[N@H+]1C1CC1	REAL300012673382	1	52	0.0	-72.17	406.52	9.84	-62.33
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673383	0	44	0.0	-73.53	340.75	8.68	-64.85
CC1CC(NC(=O)N2CCSCC2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673383	1	44	0.0	-78.81	333.09	8.37	-70.44
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1C1CC1	REAL300012673384	0	49	0.0	-69.84	369.76	8.21	-61.63
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1C1CC1	REAL300012673384	1	49	0.0	-69.02	370.73	8.55	-60.47
CC1CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673385	0	47	0.0	-79.00	350.97	9.13	-69.87
CC1CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C[N@H+]1C1CC1	REAL300012673385	1	47	0.0	-82.32	343.88	8.70	-73.62
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C[N@@H+]1C1CC1	REAL300012673386	0	42	0.0	-62.78	338.19	7.66	-55.12
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C[N@H+]1C1CC1	REAL300012673386	1	42	0.0	-63.00	338.89	7.89	-55.11
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C[N@@H+]1C1CC1	REAL300012673387	0	42	0.0	-62.78	338.19	7.66	-55.12
CC1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C[N@H+]1C1CC1	REAL300012673387	1	42	0.0	-63.00	338.89	7.89	-55.11
CC1CC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])C[N@@H+]1C1CC1	REAL300012673388	0	55	0.0	-51.78	411.78	5.67	-46.11
CC1CC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])C[N@H+]1C1CC1	REAL300012673388	1	55	0.0	-54.20	412.38	5.83	-48.37
CC1CC(NC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])C[N@@H+]1C1CC1	REAL300012673389	1	59	0.0	-51.50	436.98	5.53	-45.97
CC1CC(NC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])C[N@H+]1C1CC1	REAL300012673389	1	59	0.0	-53.86	437.58	5.71	-48.15
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC(C)[N@@H+](C2CC2)C1	REAL300012673390	0	50	0.0	-45.39	378.91	10.28	-35.11
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC(C)[N@H+](C2CC2)C1	REAL300012673390	1	50	0.0	-49.47	378.87	10.57	-38.90
CC1CC(NC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673391	0	53	0.0	-56.25	393.41	10.84	-45.41
CC1CC(NC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673391	1	53	0.0	-56.57	385.94	10.34	-46.23
CC1CC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673392	0	51	0.0	-68.57	381.37	8.57	-60.00
CC1CC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673392	1	51	0.0	-65.77	378.49	8.48	-57.29
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1C1CC1	REAL300012673393	0	46	0.0	-67.76	361.56	7.51	-60.25
CC1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@H+]1C1CC1	REAL300012673393	1	46	0.0	-69.15	365.43	7.69	-61.46
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C[N@@H+]1C1CC1	REAL300012673394	0	49	0.0	-65.01	405.69	8.73	-56.28
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C[N@H+]1C1CC1	REAL300012673394	1	49	0.0	-64.16	404.14	8.69	-55.47
CC1CC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673395	0	51	0.0	-69.05	401.93	7.39	-61.66
CC1CC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673395	1	51	0.0	-68.14	402.55	7.70	-60.44
CC1CC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673396	0	45	0.0	-65.83	371.02	5.36	-60.47
CC1CC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673396	1	45	0.0	-70.27	371.84	5.75	-64.52
CC1CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673397	0	46	0.0	-64.44	389.87	7.25	-57.19
CC1CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673397	1	46	0.0	-64.79	390.80	7.41	-57.38
CC1CC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673398	0	46	0.0	-82.43	360.37	5.20	-77.23
CC1CC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673398	1	46	0.0	-86.52	351.64	4.65	-81.87
CC1CC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673399	0	47	0.0	-68.85	351.82	6.37	-62.48
CC1CC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673399	1	47	0.0	-68.13	356.04	6.77	-61.36
CC1CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1C1CC1	REAL300012673400	0	46	0.0	-69.24	361.95	7.42	-61.82
CC1CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C[N@H+]1C1CC1	REAL300012673400	1	46	0.0	-68.48	365.59	7.67	-60.81
CC1CC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673401	0	49	0.0	-71.60	371.13	6.78	-64.82
CC1CC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673401	1	49	0.0	-67.90	376.15	7.01	-60.89
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)C[N@@H+]1C1CC1	REAL300012673402	0	49	0.0	-49.51	361.16	8.77	-40.74
CC1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)C[N@H+]1C1CC1	REAL300012673402	1	49	0.0	-52.30	360.38	8.93	-43.37
CC1CC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C[N@@H+]1C1CC1	REAL300012673403	0	47	0.0	-73.09	358.70	3.35	-69.74
CC1CC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C[N@H+]1C1CC1	REAL300012673403	1	47	0.0	-73.64	356.23	3.23	-70.41
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673404	0	55	0.0	-70.59	409.26	6.62	-63.97
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673404	1	55	0.0	-67.78	409.75	6.80	-60.98
CC1CCC(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)(C(=O)[O-])C1	REAL300012673405	0	49	0.0	-72.17	360.98	7.03	-65.14
CC1CCC(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)(C(=O)[O-])C1	REAL300012673405	1	49	0.0	-72.81	358.13	6.96	-65.85
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C[N@@H+]1C1CC1	REAL300012673406	0	52	0.0	-72.12	371.13	7.82	-64.30
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C[N@H+]1C1CC1	REAL300012673406	1	52	0.0	-71.27	371.60	8.02	-63.25
CC1CC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673407	0	52	0.0	-67.21	397.76	10.59	-56.62
CC1CC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673407	1	52	0.0	-67.29	396.78	10.69	-56.60
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C[N@@H+]1C1CC1	REAL300012673408	0	49	0.0	-74.03	362.98	7.76	-66.27
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C[N@H+]1C1CC1	REAL300012673408	1	49	0.0	-72.81	367.07	8.01	-64.80
CC1CC(NC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C[N@@H+]1C1CC1	REAL300012673409	0	56	0.0	-74.35	410.84	9.80	-64.55
CC1CC(NC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C[N@H+]1C1CC1	REAL300012673409	1	56	0.0	-71.60	411.29	9.90	-61.70
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673410	0	55	0.0	-68.27	408.77	6.70	-61.57
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673410	1	55	0.0	-69.41	410.31	6.87	-62.54
CC1CC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673411	0	54	0.0	-56.68	403.90	10.99	-45.69
CC1CC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673411	1	54	0.0	-58.49	404.25	11.16	-47.33
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOC2)C[N@@H+]1C1CC1	REAL300012673412	0	47	0.0	-67.30	353.05	4.28	-63.02
CC1CC(NC(=O)NC(C(=O)[O-])C2CCOC2)C[N@H+]1C1CC1	REAL300012673412	1	47	0.0	-67.76	362.81	4.86	-62.90
CC1CC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673413	0	47	0.0	-77.54	351.29	8.69	-68.85
CC1CC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C[N@H+]1C1CC1	REAL300012673413	1	47	0.0	-79.85	343.59	8.24	-71.61
CC1CC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C[N@@H+]1C1CC1	REAL300012673414	0	50	0.0	-75.50	393.43	7.51	-67.99
CC1CC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C[N@H+]1C1CC1	REAL300012673414	1	50	0.0	-76.74	394.18	7.70	-69.04
CC1CC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C[N@@H+]1C1CC1	REAL300012673415	0	45	0.0	-76.57	338.28	6.17	-70.40
CC1CC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C[N@H+]1C1CC1	REAL300012673415	1	45	0.0	-74.79	338.91	6.19	-68.60
CC1CC(NC(=O)N2CC(C)CCC2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673416	0	49	0.0	-75.87	356.53	9.13	-66.74
CC1CC(NC(=O)N2CC(C)CCC2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673416	1	49	0.0	-75.31	353.23	8.80	-66.51
CC(C1=CC=CC=C1)C(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673417	0	52	0.0	-67.88	399.51	8.71	-59.17
CC(C1=CC=CC=C1)C(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673417	1	52	0.0	-66.03	399.51	8.99	-57.04
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673418	0	53	0.0	-68.27	393.57	9.23	-59.04
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673418	1	53	0.0	-67.73	402.18	8.76	-58.97
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C[N@@H+]1C1CC1	REAL300012673419	0	59	0.0	-68.69	418.75	8.22	-60.47
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C[N@H+]1C1CC1	REAL300012673419	1	59	0.0	-71.89	416.28	8.02	-63.87
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C[N@@H+]1C1CC1	REAL300012673420	0	52	0.0	-67.73	378.42	7.65	-60.08
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C[N@H+]1C1CC1	REAL300012673420	1	52	0.0	-70.12	380.41	7.75	-62.37
CC1CC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673421	0	53	0.0	-71.58	399.56	6.60	-64.98
CC1CC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673421	1	53	0.0	-66.67	397.50	7.30	-59.37
CC1CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C[N@@H+]1C1CC1	REAL300012673422	0	53	0.0	-46.33	376.17	9.43	-36.90
CC1CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C[N@H+]1C1CC1	REAL300012673422	1	53	0.0	-45.51	371.79	9.26	-36.25
CC1CC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C[N@@H+]1C1CC1	REAL300012673423	0	53	0.0	-73.01	375.62	6.37	-66.64
CC1CC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C[N@H+]1C1CC1	REAL300012673423	1	53	0.0	-73.19	372.71	6.26	-66.93
CC1CC(NC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673424	0	52	0.0	-70.40	422.44	9.62	-60.78
CC1CC(NC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673424	1	52	0.0	-69.39	418.75	10.12	-59.27
CC1=CC=CC2=C1CCN(C(=O)NC1CC(C)[N@@H+](C3CC3)C1)C2C(=O)[O-]	REAL300012673425	0	53	0.0	-84.09	388.55	10.85	-73.24
CC1=CC=CC2=C1CCN(C(=O)NC1CC(C)[N@H+](C3CC3)C1)C2C(=O)[O-]	REAL300012673425	1	53	0.0	-53.22	391.10	10.20	-43.02
CC1CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673426	0	47	0.0	-49.15	352.34	8.61	-40.54
CC1CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673426	1	47	0.0	-45.97	344.54	8.17	-37.80
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673427	0	53	0.0	-68.27	393.57	9.23	-59.04
CC1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673427	1	53	0.0	-67.73	402.18	8.76	-58.97
CC1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673428	0	49	0.0	-65.61	390.67	8.43	-57.18
CC1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673428	1	49	0.0	-70.23	394.03	8.71	-61.52
COC1CC(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)(C(=O)[O-])C1	REAL300012673429	0	47	0.0	-70.13	358.85	5.31	-64.82
COC1CC(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)(C(=O)[O-])C1	REAL300012673429	1	47	0.0	-76.49	357.23	4.92	-71.57
CC1CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C[N@@H+]1C1CC1	REAL300012673430	0	43	0.0	-65.10	339.44	6.36	-58.74
CC1CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C[N@H+]1C1CC1	REAL300012673430	1	43	0.0	-65.76	336.38	6.27	-59.49
CO[C@H]1C[C@](NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)(C(=O)[O-])C1	REAL300012673431	0	47	0.0	-70.05	358.85	5.34	-64.71
CO[C@H]1C[C@](NC(=O)NC2CC(C)[N@H+](C3CC3)C2)(C(=O)[O-])C1	REAL300012673431	1	47	0.0	-69.44	355.73	4.82	-64.62
CC1CC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C[N@@H+]1C1CC1	REAL300012673432	0	46	0.0	-69.36	365.18	7.12	-62.24
CC1CC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C[N@H+]1C1CC1	REAL300012673432	1	46	0.0	-69.77	364.44	7.35	-62.42
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC(C)[N@@H+](C2CC2)C1	REAL300012673433	0	49	0.0	-72.71	355.20	8.73	-63.98
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC(C)[N@H+](C2CC2)C1	REAL300012673433	1	49	0.0	-74.20	360.90	9.24	-64.96
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673434	0	42	0.0	-61.19	341.33	6.13	-55.06
CC1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673434	1	42	0.0	-61.32	343.03	6.36	-54.96
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673435	0	50	0.0	-65.90	374.14	5.01	-60.89
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673435	1	50	0.0	-66.54	381.05	5.34	-61.20
CC1CC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673436	0	46	0.0	-67.16	376.41	7.35	-59.81
CC1CC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673436	1	46	0.0	-67.29	378.65	7.71	-59.58
COCC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012673437	0	53	0.0	-68.53	402.96	7.40	-61.13
COCC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012673437	1	53	0.0	-67.07	406.19	7.65	-59.42
CC1CC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673438	0	47	0.0	-74.36	347.75	8.03	-66.33
CC1CC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673438	1	47	0.0	-75.55	351.31	8.29	-67.26
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)[N@@H+](C2CC2)C1	REAL300012673439	0	52	0.0	-49.94	392.77	11.05	-38.89
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)[N@H+](C2CC2)C1	REAL300012673439	1	52	0.0	-44.29	394.54	11.31	-32.98
CC1CC(NC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673440	0	53	0.0	-72.28	423.27	7.95	-64.33
CC1CC(NC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673440	1	53	0.0	-68.95	424.78	8.26	-60.69
CC1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673441	0	55	0.0	-68.12	410.91	8.92	-59.20
CC1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673441	1	55	0.0	-66.67	406.60	8.88	-57.79
CC1CC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673442	0	52	0.0	-68.79	406.81	9.21	-59.58
CC1CC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673442	1	52	0.0	-68.24	410.72	9.42	-58.82
CC1CC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673443	0	52	0.0	-68.12	407.05	9.15	-58.97
CC1CC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673443	1	52	0.0	-68.09	407.50	9.43	-58.66
CC1CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C[N@@H+]1C1CC1	REAL300012673444	0	53	0.0	-69.66	387.46	8.15	-61.51
CC1CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C[N@H+]1C1CC1	REAL300012673444	1	53	0.0	-68.68	386.54	8.22	-60.46
CC1CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673445	0	55	0.0	-67.13	405.61	8.68	-58.45
CC1CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673445	1	55	0.0	-68.12	406.32	8.79	-59.33
CC1CC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673446	0	55	0.0	-69.35	406.15	8.56	-60.79
CC1CC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673446	1	55	0.0	-67.55	409.58	8.83	-58.72
CC1CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673447	0	53	0.0	-49.30	392.65	9.61	-39.69
CC1CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673447	1	53	0.0	-45.74	383.49	9.11	-36.63
CC1CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673448	0	53	0.0	-78.09	383.11	8.97	-69.12
CC1CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673448	1	53	0.0	-78.69	380.50	8.87	-69.82
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C[N@@H+]1C1CC1	REAL300012673449	0	53	0.0	-72.98	431.32	8.26	-64.72
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C[N@H+]1C1CC1	REAL300012673449	1	53	0.0	-71.41	426.98	8.31	-63.10
COC1=CC=C(CC(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012673450	0	53	0.0	-69.08	413.51	7.68	-61.40
COC1=CC=C(CC(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012673450	1	53	0.0	-70.20	415.03	7.98	-62.22
C=CCSCC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673451	0	47	0.0	-64.58	383.62	7.17	-57.41
C=CCSCC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673451	1	47	0.0	-64.11	384.85	7.53	-56.58
CC1CC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673452	0	50	0.0	-68.87	404.86	8.77	-60.10
CC1CC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673452	1	50	0.0	-68.66	406.37	9.07	-59.59
CC1CC(NC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673453	0	53	0.0	-83.25	423.35	8.44	-74.81
CC1CC(NC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673453	1	53	0.0	-82.37	427.33	8.68	-73.69
COC1(C(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])CCC1	REAL300012673454	0	50	0.0	-71.82	374.62	5.12	-66.70
COC1(C(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])CCC1	REAL300012673454	1	50	0.0	-71.21	374.52	5.37	-65.84
CC1CC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C[N@@H+]1C1CC1	REAL300012673455	0	52	0.0	-67.61	386.24	8.07	-59.54
CC1CC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C[N@H+]1C1CC1	REAL300012673455	1	52	0.0	-74.51	384.79	8.29	-66.22
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C[N@@H+]1C1CC1	REAL300012673456	0	53	0.0	-71.81	392.98	9.50	-62.31
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C[N@H+]1C1CC1	REAL300012673456	1	53	0.0	-71.21	396.93	9.75	-61.46
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C[N@@H+]1C1CC1	REAL300012673457	0	46	0.0	-73.49	358.15	6.93	-66.56
CC1CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C[N@H+]1C1CC1	REAL300012673457	1	46	0.0	-69.40	357.92	6.87	-62.53
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C[N@@H+]1C1CC1	REAL300012673459	0	58	0.0	-68.72	438.21	9.74	-58.98
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C[N@H+]1C1CC1	REAL300012673459	1	58	0.0	-67.54	439.43	10.06	-57.48
CC(C)C1=CC=C(C(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012673460	0	55	0.0	-67.58	426.99	9.74	-57.84
CC(C)C1=CC=C(C(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012673460	1	55	0.0	-67.47	423.45	9.67	-57.80
CC1CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673461	0	45	0.0	-48.09	345.21	8.39	-39.70
CC1CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673461	1	45	0.0	-48.26	343.90	8.32	-39.94
CC1CC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673462	0	49	0.0	-75.76	359.26	8.19	-67.57
CC1CC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673462	1	49	0.0	-76.30	353.96	8.10	-68.20
CCOC1=CC=C(C(NC(=O)NC2CC(C)[N@@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012673463	0	53	0.0	-68.10	417.69	7.97	-60.13
CCOC1=CC=C(C(NC(=O)NC2CC(C)[N@H+](C3CC3)C2)C(=O)[O-])C=C1	REAL300012673463	1	53	0.0	-66.97	413.97	7.99	-58.98
CC1CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673464	0	53	0.0	-76.53	379.77	10.17	-66.36
CC1CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673464	1	53	0.0	-79.20	378.06	9.89	-69.31
CC1CC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C[N@@H+]1C1CC1	REAL300012673465	0	53	0.0	-69.76	403.18	9.89	-59.87
CC1CC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C[N@H+]1C1CC1	REAL300012673465	1	53	0.0	-68.65	401.93	10.10	-58.55
CC1CC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673466	0	53	0.0	-74.47	404.41	8.45	-66.02
CC1CC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673466	1	53	0.0	-73.18	405.69	8.77	-64.41
CC1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673467	0	49	0.0	-64.79	392.04	8.69	-56.10
CC1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673467	1	49	0.0	-64.19	392.09	8.85	-55.34
CC(C)CCC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673468	0	51	0.0	-67.67	385.38	7.43	-60.24
CC(C)CCC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673468	1	51	0.0	-67.49	387.42	7.79	-59.70
CC1CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673469	0	50	0.0	-44.06	371.36	8.73	-35.33
CC1CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673469	1	50	0.0	-46.20	369.40	8.61	-37.59
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673470	0	50	0.0	-65.90	374.14	5.01	-60.89
CC1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673470	1	50	0.0	-66.54	381.05	5.34	-61.20
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC(C)[N@@H+](C3CC3)C2)C1	REAL300012673471	0	47	0.0	-72.04	373.97	8.53	-63.51
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC(C)[N@H+](C3CC3)C2)C1	REAL300012673471	1	47	0.0	-71.42	372.40	8.51	-62.91
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)C[N@@H+]1C1CC1	REAL300012673472	0	50	0.0	-71.22	363.84	7.92	-63.30
CC1CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)C[N@H+]1C1CC1	REAL300012673472	1	50	0.0	-69.52	367.23	8.20	-61.32
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)C[N@@H+]1C1CC1	REAL300012673473	0	47	0.0	-71.92	349.13	7.11	-64.81
CC1CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)C[N@H+]1C1CC1	REAL300012673473	1	47	0.0	-73.08	348.36	7.54	-65.54
CC1CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C[N@@H+]1C1CC1	REAL300012673474	0	50	0.0	-69.75	369.38	7.68	-62.07
CC1CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C[N@H+]1C1CC1	REAL300012673474	1	50	0.0	-69.86	372.86	7.96	-61.90
CC1CC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673475	0	52	0.0	-67.22	392.83	10.28	-56.94
CC1CC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673475	1	52	0.0	-68.03	398.33	10.69	-57.34
CC1CC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C[N@@H+]1C1CC1	REAL300012673476	0	56	0.0	-51.26	401.05	9.67	-41.59
CC1CC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C[N@H+]1C1CC1	REAL300012673476	1	56	0.0	-45.15	400.01	9.58	-35.57
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCC2)C[N@@H+]1C1CC1	REAL300012673477	0	49	0.0	-67.83	361.54	6.89	-60.94
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCC2)C[N@H+]1C1CC1	REAL300012673477	1	49	0.0	-67.79	365.42	7.18	-60.61
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C[N@@H+]1C1CC1	REAL300012673478	0	49	0.0	-51.54	376.42	9.87	-41.67
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C[N@H+]1C1CC1	REAL300012673478	1	49	0.0	-52.22	386.24	10.44	-41.78
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C[N@@H+]1C1CC1	REAL300012673479	0	56	0.0	-69.54	436.15	10.83	-58.71
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C[N@H+]1C1CC1	REAL300012673479	1	56	0.0	-68.27	437.42	11.14	-57.13
CC1CC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673480	0	49	0.0	-49.74	370.51	8.43	-41.31
CC1CC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673480	1	49	0.0	-45.53	363.88	7.92	-37.61
CC1CC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673481	0	50	0.0	-70.73	382.92	10.36	-60.37
CC1CC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673481	1	50	0.0	-53.69	392.53	10.11	-43.58
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C[N@@H+]1C1CC1	REAL300012673482	0	52	0.0	-65.65	408.31	9.23	-56.42
CC1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C[N@H+]1C1CC1	REAL300012673482	1	52	0.0	-64.21	409.54	9.39	-54.82
CC1CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673483	0	46	0.0	-74.64	352.70	9.08	-65.56
CC1CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673483	1	46	0.0	-75.84	348.00	8.86	-66.98
CC1CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673484	0	43	0.0	-77.98	336.86	7.00	-70.98
CC1CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673484	1	43	0.0	-80.91	335.60	6.89	-74.02
CC1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673485	0	49	0.0	-65.61	390.67	8.43	-57.18
CC1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673485	1	49	0.0	-70.23	394.03	8.71	-61.52
CC1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673486	0	46	0.0	-68.77	374.23	7.29	-61.48
CC1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673486	1	46	0.0	-67.32	376.33	7.59	-59.73
CC1CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673487	0	46	0.0	-73.19	353.88	8.04	-65.15
CC1CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673487	1	46	0.0	-67.12	357.41	8.17	-58.95
CC1CC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C[N@@H+]1C1CC1	REAL300012673488	0	50	0.0	-71.26	394.02	8.39	-62.87
CC1CC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C[N@H+]1C1CC1	REAL300012673488	1	50	0.0	-71.74	390.04	8.42	-63.32
CC1CC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673489	0	54	0.0	-72.70	418.02	9.79	-62.91
CC1CC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673489	1	54	0.0	-73.84	409.38	9.62	-64.22
CC1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673490	0	46	0.0	-68.77	374.23	7.29	-61.48
CC1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673490	1	46	0.0	-67.32	376.33	7.59	-59.73
CC1CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673491	0	50	0.0	-77.68	361.87	8.33	-69.35
CC1CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673491	1	50	0.0	-76.07	362.76	8.65	-67.42
COCCCC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300012673492	0	49	0.0	-67.48	380.82	5.20	-62.28
COCCCC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300012673492	1	49	0.0	-67.04	382.27	5.50	-61.54
CC1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673493	0	51	0.0	-68.02	375.47	7.80	-60.22
CC1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673493	1	51	0.0	-66.56	376.87	8.09	-58.47
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)C[N@@H+]1C1CC1	REAL300012673494	0	50	0.0	-70.01	374.24	5.53	-64.48
CC1CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)C[N@H+]1C1CC1	REAL300012673494	1	50	0.0	-71.30	376.58	5.71	-65.59
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C[N@@H+]1C1CC1	REAL300012673495	0	46	0.0	-67.66	382.65	8.06	-59.60
CC1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C[N@H+]1C1CC1	REAL300012673495	1	46	0.0	-67.13	384.33	8.44	-58.69
CC1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C[N@@H+]1C1CC1	REAL300012673496	0	50	0.0	-70.45	379.75	8.62	-61.83
CC1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C[N@H+]1C1CC1	REAL300012673496	1	50	0.0	-72.19	378.49	8.57	-63.62
CC1CC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673497	0	47	0.0	-74.93	352.96	7.25	-67.68
CC1CC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673497	1	47	0.0	-78.16	344.63	6.74	-71.42
CC1CC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673498	0	49	0.0	-67.97	371.27	8.62	-59.35
CC1CC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673498	1	49	0.0	-69.87	368.04	8.47	-61.40
CC1CC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C[N@@H+]1C1CC1	REAL300012673499	0	60	0.0	-71.77	422.04	9.88	-61.89
CC1CC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C[N@H+]1C1CC1	REAL300012673499	1	60	0.0	-71.13	417.03	9.66	-61.47
CC1CC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673500	0	52	0.0	-70.96	408.76	8.73	-62.23
CC1CC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673500	1	52	0.0	-72.15	415.43	8.93	-63.22
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C[N@@H+]1C1CC1	REAL300012673501	0	46	0.0	-50.77	364.10	8.32	-42.45
CC1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C[N@H+]1C1CC1	REAL300012673501	1	46	0.0	-53.57	368.09	8.56	-45.01
CC1CC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673502	0	57	0.0	-75.99	403.09	9.39	-66.60
CC1CC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C[N@H+]1C1CC1	REAL300012673502	1	57	0.0	-74.92	393.68	8.81	-66.11
CC1CC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C[N@@H+]1C1CC1	REAL300012673503	0	48	0.0	-64.14	395.80	6.99	-57.15
CC1CC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C[N@H+]1C1CC1	REAL300012673503	1	48	0.0	-69.24	399.51	7.29	-61.95
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC(C)[N@@H+](C3CC3)C2)C1	REAL300012673504	0	50	0.0	-73.80	384.60	7.55	-66.25
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC(C)[N@H+](C3CC3)C2)C1	REAL300012673504	1	50	0.0	-73.42	377.26	6.86	-66.56
CN1N=CN=C1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012673813	0	52	0.0	-68.55	407.96	6.36	-62.19
C=CCOCC(NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674115	0	47	0.0	-70.31	373.71	5.93	-64.38
C=CCOCC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674115	1	47	0.0	-69.43	373.65	5.91	-63.52
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012674116	0	50	0.0	-66.21	372.32	5.88	-60.33
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012674116	1	50	0.0	-66.59	375.74	5.53	-61.06
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012674117	0	46	0.0	-57.70	375.39	8.28	-49.42
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012674117	1	46	0.0	-61.75	380.13	7.93	-53.82
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012674118	0	46	0.0	-58.40	385.88	8.69	-49.71
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012674118	1	46	0.0	-60.97	389.78	8.47	-52.50
COC1CCN(C(=O)NC2C[N@@H+](C3CC3)CC2C)C(C(=O)[O-])C1	REAL300012674119	0	50	0.0	-73.71	373.21	7.63	-66.08
COC1CCN(C(=O)NC2C[N@H+](C3CC3)CC2C)C(C(=O)[O-])C1	REAL300012674119	1	50	0.0	-72.23	369.19	8.06	-64.17
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012674120	0	50	0.0	-67.21	381.20	5.82	-61.39
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012674120	1	50	0.0	-66.09	374.79	5.55	-60.54
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012674121	0	49	0.0	-73.86	361.91	9.49	-64.37
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012674121	1	49	0.0	-72.97	351.04	9.38	-63.59
CC1=CC(C(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])=CC=C1F	REAL300012674122	0	49	0.0	-64.98	389.79	8.91	-56.07
CC1=CC(C(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])=CC=C1F	REAL300012674122	1	49	0.0	-61.66	394.14	8.51	-53.15
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012674123	0	51	0.0	-68.35	399.24	7.98	-60.37
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012674123	1	51	0.0	-63.70	403.10	7.74	-55.96
CC1=CC(C)=CC(C(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])=C1	REAL300012674124	0	52	0.0	-69.16	406.21	9.50	-59.66
CC1=CC(C)=CC(C(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])=C1	REAL300012674124	1	52	0.0	-64.72	410.00	9.22	-55.50
CC1=CC=C(C(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])C=C1C	REAL300012674125	0	52	0.0	-68.80	401.76	9.33	-59.47
CC1=CC=C(C(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])C=C1C	REAL300012674125	1	52	0.0	-64.77	405.57	9.10	-55.67
COC1=CC=C(C(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])C=C1Cl	REAL300012674126	0	50	0.0	-64.70	412.94	7.66	-57.04
COC1=CC=C(C(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])C=C1Cl	REAL300012674126	1	50	0.0	-60.50	408.21	8.02	-52.48
CC1=CC=CC(C(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])=C1C	REAL300012674127	0	52	0.0	-72.02	397.54	9.18	-62.84
CC1=CC=CC(C(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])=C1C	REAL300012674127	1	52	0.0	-68.99	396.06	9.24	-59.75
COC1=CC=C(C(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])C=C1F	REAL300012674128	0	50	0.0	-65.52	403.14	7.18	-58.34
COC1=CC=C(C(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])C=C1F	REAL300012674128	1	50	0.0	-60.91	398.40	7.53	-53.38
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012674129	0	52	0.0	-53.00	422.83	11.90	-41.10
CC1C[N@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012674129	1	52	0.0	-44.08	422.82	11.89	-32.19
CC(C(=O)[O-])N(C(=O)NC1C[N@@H+](C2CC2)CC1C)C1CCC1	REAL300012674130	0	49	0.0	-58.32	359.16	9.04	-49.28
CC(C(=O)[O-])N(C(=O)NC1C[N@H+](C2CC2)CC1C)C1CCC1	REAL300012674130	1	49	0.0	-58.00	362.93	8.59	-49.41
CCCN(C(=O)NC1C[N@@H+](C2CC2)CC1C)C(COC)C(=O)[O-]	REAL300012674131	0	52	0.0	-62.48	388.50	7.90	-54.58
CCCN(C(=O)NC1C[N@H+](C2CC2)CC1C)C(COC)C(=O)[O-]	REAL300012674131	1	52	0.0	-70.15	388.34	9.62	-60.53
CCCN(C(=O)NC1C[N@@H+](C2CC2)CC1C)C(CC)C(=O)[O-]	REAL300012674132	0	51	0.0	-50.21	374.50	9.99	-40.22
CCCN(C(=O)NC1C[N@H+](C2CC2)CC1C)C(CC)C(=O)[O-]	REAL300012674132	1	51	0.0	-69.69	375.24	10.28	-59.41
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012674133	0	46	0.0	-64.50	379.82	8.73	-55.77
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012674133	1	46	0.0	-60.83	383.92	8.42	-52.41
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCSCC1C(=O)[O-]	REAL300012674134	0	44	0.0	-70.07	340.73	8.55	-61.52
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCSCC1C(=O)[O-]	REAL300012674134	1	44	0.0	-71.90	337.43	9.18	-62.72
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012674135	0	49	0.0	-65.39	356.71	8.35	-57.04
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012674135	1	49	0.0	-64.99	356.71	8.28	-56.71
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012674136	0	52	0.0	-65.98	362.36	9.01	-56.97
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012674136	1	52	0.0	-65.46	362.39	8.94	-56.52
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012674137	0	49	0.0	-70.21	385.66	9.11	-61.10
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012674137	1	49	0.0	-69.47	388.79	8.77	-60.70
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012674138	0	49	0.0	-47.54	383.95	10.91	-36.63
CC1C[N@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012674138	1	49	0.0	-54.75	388.17	10.56	-44.19
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012674139	0	46	0.0	-67.54	362.96	8.25	-59.29
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012674139	1	46	0.0	-64.59	367.42	7.82	-56.77
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012674140	0	46	0.0	-63.61	363.16	8.25	-55.36
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012674140	1	46	0.0	-68.03	366.78	7.84	-60.19
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012674141	0	49	0.0	-70.21	385.66	9.11	-61.10
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012674141	1	49	0.0	-69.47	388.79	8.77	-60.70
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012674142	0	50	0.0	-72.84	375.76	11.49	-61.35
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012674142	1	50	0.0	-69.32	381.12	10.65	-58.67
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012674143	0	43	0.0	-66.70	355.00	7.25	-59.45
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012674143	1	43	0.0	-62.59	354.81	7.27	-55.32
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012674144	0	49	0.0	-65.39	356.71	8.35	-57.04
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012674144	1	49	0.0	-64.99	356.71	8.28	-56.71
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012674145	0	49	0.0	-53.14	404.91	11.07	-42.07
CC1C[N@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012674145	1	49	0.0	-48.94	400.70	11.45	-37.49
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012674146	0	53	0.0	-64.86	414.63	9.15	-55.71
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012674146	1	53	0.0	-70.31	418.73	8.82	-61.49
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NC2C[N@@H+](C3CC3)CC2C)=C1	REAL300012674147	0	57	0.0	-56.96	447.15	9.17	-47.79
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NC2C[N@H+](C3CC3)CC2C)=C1	REAL300012674147	1	57	0.0	-57.27	443.03	9.47	-47.80
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012674148	0	46	0.0	-64.43	384.38	8.84	-55.59
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012674148	1	46	0.0	-60.68	388.49	8.52	-52.16
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012674149	0	49	0.0	-53.37	394.59	10.61	-42.76
CC1C[N@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012674149	1	49	0.0	-49.20	390.37	11.00	-38.20
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012674150	0	50	0.0	-65.78	382.81	9.47	-56.31
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012674150	1	50	0.0	-69.41	381.30	9.32	-60.09
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012674151	0	46	0.0	-64.26	374.13	8.30	-55.96
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012674151	1	46	0.0	-68.93	374.15	8.30	-60.63
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012674152	0	49	0.0	-63.68	371.11	8.90	-54.78
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012674152	1	49	0.0	-64.35	375.21	8.59	-55.76
CCCCCCC(C)(NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674153	0	57	0.0	-66.18	417.17	9.56	-56.62
CCCCCCC(C)(NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674153	1	57	0.0	-61.43	417.29	9.51	-51.92
CC1C[N@@H+](C2CC2)CC1NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012674154	0	52	0.0	-69.03	398.20	10.71	-58.32
CC1C[N@H+](C2CC2)CC1NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012674154	1	52	0.0	-61.99	394.71	11.10	-50.89
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012674155	0	46	0.0	-64.50	379.82	8.73	-55.77
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012674155	1	46	0.0	-60.83	383.92	8.42	-52.41
CC1C[N@@H+](C2CC2)CC1NC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012674156	0	52	0.0	-68.55	366.28	9.72	-58.83
CC1C[N@H+](C2CC2)CC1NC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012674156	1	52	0.0	-74.50	369.50	9.28	-65.22
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012674157	0	52	0.0	-48.43	406.36	11.69	-36.74
CC1C[N@H+](C2CC2)CC1NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012674157	1	52	0.0	-56.47	406.53	11.66	-44.81
CC1C[N@@H+](C2CC2)CC1NC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012674158	0	49	0.0	-64.02	378.51	9.72	-54.30
CC1C[N@H+](C2CC2)CC1NC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012674158	1	49	0.0	-61.79	374.61	9.91	-51.88
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012674159	0	50	0.0	-67.22	378.22	9.26	-57.96
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012674159	1	50	0.0	-72.37	382.10	8.87	-63.50
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012674160	0	53	0.0	-76.83	419.55	9.05	-67.78
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012674160	1	53	0.0	-70.06	419.27	9.10	-60.96
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCCCCC1C(=O)[O-]	REAL300012674161	0	49	0.0	-68.72	350.68	9.57	-59.15
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCCCCC1C(=O)[O-]	REAL300012674161	1	49	0.0	-68.82	350.67	9.52	-59.30
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012674162	0	52	0.0	-48.43	406.36	11.69	-36.74
CC1C[N@H+](C2CC2)CC1NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012674162	1	52	0.0	-56.47	406.53	11.66	-44.81
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012674163	0	49	0.0	-55.05	365.53	9.11	-45.94
CC1C[N@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012674163	1	49	0.0	-49.89	361.29	9.50	-40.39
CCCCCC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674164	0	51	0.0	-61.82	390.70	8.45	-53.37
CCCCCC(NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674164	1	51	0.0	-61.87	390.89	8.43	-53.44
CCC1CCC(NC(=O)NC2C[N@@H+](C3CC3)CC2C)(C(=O)[O-])CC1	REAL300012674165	0	55	0.0	-72.21	395.79	9.52	-62.69
CCC1CCC(NC(=O)NC2C[N@H+](C3CC3)CC2C)(C(=O)[O-])CC1	REAL300012674165	1	55	0.0	-70.41	395.77	9.60	-60.81
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012674166	0	50	0.0	-55.32	369.90	7.76	-47.56
CC1C[N@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012674166	1	50	0.0	-55.01	373.95	7.45	-47.56
CC1C[N@@H+](C2CC2)CC1NC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012674167	0	49	0.0	-75.15	353.43	8.88	-66.27
CC1C[N@H+](C2CC2)CC1NC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012674167	1	49	0.0	-74.99	356.28	8.59	-66.40
CCC(C(=O)[O-])N(C(=O)NC1C[N@@H+](C2CC2)CC1C)C1CC1	REAL300012674168	0	49	0.0	-60.49	364.16	9.66	-50.83
CCC(C(=O)[O-])N(C(=O)NC1C[N@H+](C2CC2)CC1C)C1CC1	REAL300012674168	1	49	0.0	-52.88	368.91	9.32	-43.56
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012674169	0	46	0.0	-69.90	376.08	8.63	-61.27
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012674169	1	46	0.0	-64.58	374.93	8.65	-55.93
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012674170	0	46	0.0	-73.16	367.60	8.32	-64.84
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012674170	1	46	0.0	-68.41	367.54	8.30	-60.11
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012674171	0	50	0.0	-55.97	378.09	10.65	-45.32
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012674171	1	50	0.0	-54.39	381.62	10.28	-44.11
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012674172	0	49	0.0	-65.29	396.03	9.10	-56.19
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012674172	1	49	0.0	-67.01	404.87	9.14	-57.87
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012674173	0	55	0.0	-72.94	429.00	11.20	-61.74
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012674173	1	55	0.0	-66.60	429.05	11.21	-55.39
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012674174	0	55	0.0	-67.87	411.59	8.94	-58.93
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012674174	1	55	0.0	-63.05	411.38	9.02	-54.03
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@@H+](C2CC2)CC1C	REAL300012674175	0	52	0.0	-54.99	400.36	11.37	-43.62
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@H+](C2CC2)CC1C	REAL300012674175	1	52	0.0	-56.01	395.98	11.75	-44.26
CC1=CC=C(C(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])C=C1	REAL300012674176	0	49	0.0	-67.85	384.50	8.89	-58.96
CC1=CC=C(C(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])C=C1	REAL300012674176	1	49	0.0	-68.07	388.19	8.52	-59.55
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012674177	0	42	0.0	-61.93	343.16	6.78	-55.15
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012674177	1	42	0.0	-61.41	346.35	6.46	-54.95
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012674178	0	52	0.0	-69.18	409.05	10.47	-58.71
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012674178	1	52	0.0	-69.49	412.75	10.10	-59.39
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012674179	0	47	0.0	-62.07	358.33	7.53	-54.54
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012674179	1	47	0.0	-68.28	354.34	7.96	-60.32
CCOCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C2CC2)CC1C	REAL300012674180	0	49	0.0	-66.13	368.96	7.55	-58.58
CCOCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](C2CC2)CC1C	REAL300012674180	1	49	0.0	-62.75	372.97	7.26	-55.49
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@@H+](C2CC2)CC1C	REAL300012674181	0	55	0.0	-51.62	415.00	11.34	-40.28
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@H+](C2CC2)CC1C	REAL300012674181	1	55	0.0	-51.54	405.84	11.48	-40.06
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012674182	0	45	0.0	-56.27	364.71	8.99	-47.28
CC1C[N@H+](C2CC2)CC1NC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012674182	1	45	0.0	-55.96	368.81	8.69	-47.27
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012674183	0	52	0.0	-69.49	380.23	8.34	-61.15
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012674183	1	52	0.0	-69.86	385.86	8.52	-61.34
CC1C[N@@H+](C2CC2)CC1NC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012674184	0	53	0.0	-63.30	400.99	8.64	-54.66
CC1C[N@H+](C2CC2)CC1NC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012674184	1	53	0.0	-61.23	396.72	8.77	-52.46
CC1C[N@@H+](C2CC2)CC1NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012674185	0	53	0.0	-74.08	401.31	12.28	-61.80
CC1C[N@H+](C2CC2)CC1NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012674185	1	53	0.0	-73.45	406.09	11.77	-61.68
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012674186	0	47	0.0	-65.00	352.08	5.35	-59.65
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012674186	1	47	0.0	-64.73	348.12	5.79	-58.94
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](C2CC2)CC1C	REAL300012674187	0	52	0.0	-37.83	391.81	11.56	-26.27
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@H+](C2CC2)CC1C	REAL300012674187	1	52	0.0	-46.76	387.21	11.64	-35.12
COC1=CC=C(C(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])C=C1	REAL300012674188	0	50	0.0	-62.71	392.59	7.51	-55.20
COC1=CC=C(C(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])C=C1	REAL300012674188	1	50	0.0	-67.65	392.58	7.51	-60.14
CCC(COC)(NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674189	0	49	0.0	-67.49	370.08	6.30	-61.19
CCC(COC)(NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674189	1	49	0.0	-73.38	365.98	6.61	-66.77
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C2CC2)CC1C	REAL300012674190	0	52	0.0	-66.34	389.06	8.20	-58.14
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](C2CC2)CC1C	REAL300012674190	1	52	0.0	-66.83	393.97	7.96	-58.87
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012674191	0	49	0.0	-67.34	377.17	3.84	-63.50
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012674191	1	49	0.0	-67.27	373.23	4.27	-63.00
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C2CC2)CC1C	REAL300012674192	0	51	0.0	-66.00	375.44	9.54	-56.46
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](C2CC2)CC1C	REAL300012674192	1	51	0.0	-62.54	381.39	9.24	-53.30
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012674193	0	42	0.0	-63.35	337.84	6.62	-56.73
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012674193	1	42	0.0	-67.50	338.73	6.38	-61.12
CCCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](C2CC2)CC1C	REAL300012674194	0	52	0.0	-70.30	377.64	10.50	-59.80
CCCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](C2CC2)CC1C	REAL300012674194	1	52	0.0	-67.50	380.21	10.48	-57.02
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](C2CC2)CC1C	REAL300012674195	0	52	0.0	-63.36	398.86	11.32	-52.04
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@H+](C2CC2)CC1C	REAL300012674195	1	52	0.0	-37.33	392.48	11.58	-25.75
CCC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012674196	0	52	0.0	-67.11	408.85	9.97	-57.14
CCC(NC(=O)NC1C[N@H+](C2CC2)CC1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012674196	1	52	0.0	-60.83	408.92	9.99	-50.84
CCC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012674197	0	52	0.0	-64.83	392.19	9.47	-55.36
CCC(NC(=O)NC1C[N@H+](C2CC2)CC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012674197	1	52	0.0	-64.11	388.02	9.76	-54.35
COC1CCCC(C(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])C1	REAL300012674198	0	56	0.0	-72.90	417.16	6.92	-65.98
COC1CCCC(C(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])C1	REAL300012674198	1	56	0.0	-67.50	416.54	6.99	-60.51
COC1(CC(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])CCC1	REAL300012674199	0	53	0.0	-69.97	402.95	6.99	-62.98
COC1(CC(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])CCC1	REAL300012674199	1	53	0.0	-68.29	392.27	7.25	-61.04
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012674200	0	50	0.0	-55.32	369.90	7.76	-47.56
CC1C[N@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012674200	1	50	0.0	-55.01	373.95	7.45	-47.56
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012674201	0	52	0.0	-55.29	378.90	10.17	-45.12
CC1C[N@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012674201	1	52	0.0	-45.08	378.85	10.15	-34.93
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012674202	0	52	0.0	-64.95	370.47	8.65	-56.30
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012674202	1	52	0.0	-72.48	374.14	8.34	-64.14
COC1=CC=CC(C(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])=C1	REAL300012674203	0	50	0.0	-66.41	392.87	7.44	-58.97
COC1=CC=CC(C(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])=C1	REAL300012674203	1	50	0.0	-65.53	392.20	7.46	-58.07
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012674204	0	46	0.0	-68.99	379.30	8.70	-60.29
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012674204	1	46	0.0	-63.79	378.30	8.71	-55.08
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012674205	0	45	0.0	-64.41	337.88	6.56	-57.85
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012674205	1	45	0.0	-63.16	337.77	6.61	-56.55
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012674206	0	47	0.0	-56.84	360.76	8.82	-48.02
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012674206	1	47	0.0	-55.03	363.77	8.32	-46.71
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012674207	0	43	0.0	-69.01	345.37	7.42	-61.59
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012674207	1	43	0.0	-66.87	341.06	7.80	-59.07
COC1=CC=CC([C@H](NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])=C1	REAL300012674208	0	50	0.0	-70.85	396.90	7.10	-63.75
COC1=CC=CC([C@H](NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])=C1	REAL300012674208	1	50	0.0	-65.85	392.57	7.50	-58.35
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2C[N@@H+](C3CC3)CC2C)C1	REAL300012674209	0	52	0.0	-70.78	393.04	8.95	-61.83
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2C[N@H+](C3CC3)CC2C)C1	REAL300012674209	1	52	0.0	-72.30	391.48	9.58	-62.72
COC1=CC=CC(CC(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])=C1	REAL300012674210	0	53	0.0	-68.31	419.13	8.05	-60.26
COC1=CC=CC(CC(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])=C1	REAL300012674210	1	53	0.0	-62.18	414.79	8.43	-53.75
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012674211	0	55	0.0	-67.01	388.62	8.84	-58.17
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012674211	1	55	0.0	-66.69	388.67	8.82	-57.87
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012674212	0	52	0.0	-67.06	405.40	9.77	-57.29
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012674212	1	52	0.0	-61.17	409.53	9.45	-51.72
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012674213	0	51	0.0	-72.73	399.41	9.61	-63.12
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012674213	1	51	0.0	-64.62	399.36	9.59	-55.03
COC1CN(C(=O)NC2C[N@@H+](C3CC3)CC2C)C(C)(C(=O)[O-])C1	REAL300012674214	0	50	0.0	-65.51	375.80	7.55	-57.96
COC1CN(C(=O)NC2C[N@H+](C3CC3)CC2C)C(C)(C(=O)[O-])C1	REAL300012674214	1	50	0.0	-67.10	376.18	7.53	-59.57
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012674215	0	53	0.0	-62.09	398.47	7.26	-54.83
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012674215	1	53	0.0	-62.83	398.44	6.95	-55.88
C=C(Cl)CC(NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674216	0	43	0.0	-62.98	356.26	7.22	-55.76
C=C(Cl)CC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674216	1	43	0.0	-68.88	360.52	6.79	-62.09
CC1C[N@@H+](C2CC2)CC1NC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012674217	0	47	0.0	-76.83	345.77	9.40	-67.43
CC1C[N@H+](C2CC2)CC1NC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012674217	1	47	0.0	-79.43	351.97	9.12	-70.31
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012674218	0	52	0.0	-67.82	395.06	9.32	-58.50
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012674218	1	52	0.0	-61.78	399.21	9.00	-52.78
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012674219	0	43	0.0	-66.52	339.85	7.80	-58.72
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012674219	1	43	0.0	-61.67	342.97	7.31	-54.36
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012674220	0	53	0.0	-68.96	394.25	7.63	-61.33
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012674220	1	53	0.0	-64.33	398.49	6.93	-57.40
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012674221	0	50	0.0	-66.21	372.32	5.88	-60.33
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012674221	1	50	0.0	-66.59	375.74	5.53	-61.06
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012674222	0	46	0.0	-63.61	363.16	8.25	-55.36
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012674222	1	46	0.0	-68.03	366.78	7.84	-60.19
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012674223	0	49	0.0	-62.57	401.42	9.15	-53.42
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012674223	1	49	0.0	-67.73	406.11	8.80	-58.93
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012674224	0	45	0.0	-68.41	372.08	6.27	-62.14
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012674224	1	45	0.0	-65.68	371.92	6.32	-59.36
CC(C)CCCC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674225	0	54	0.0	-61.85	408.27	8.96	-52.89
CC(C)CCCC(NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674225	1	54	0.0	-61.86	408.46	8.94	-52.92
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012674226	0	52	0.0	-66.28	415.21	9.54	-56.74
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012674226	1	52	0.0	-71.83	419.12	9.21	-62.62
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012674227	0	50	0.0	-72.04	383.81	6.49	-65.55
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012674227	1	50	0.0	-72.15	383.38	6.46	-65.69
CSCC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674228	0	43	0.0	-63.66	350.50	6.53	-57.13
CSCC(NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674228	1	43	0.0	-59.73	350.46	6.58	-53.15
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012674229	0	49	0.0	-67.51	391.99	9.15	-58.36
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012674229	1	49	0.0	-62.50	392.03	9.16	-53.34
CCC(C)CC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674230	0	51	0.0	-63.35	383.97	8.11	-55.24
CCC(C)CC(NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674230	1	51	0.0	-63.23	384.16	8.09	-55.14
C=CCCCC(NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674231	0	49	0.0	-62.37	383.04	8.20	-54.17
C=CCCCC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674231	1	49	0.0	-61.50	382.01	8.23	-53.27
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012674232	0	49	0.0	-62.15	391.80	9.17	-52.98
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012674232	1	49	0.0	-67.16	395.19	8.83	-58.33
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012674233	0	52	0.0	-67.76	404.25	10.33	-57.43
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012674233	1	52	0.0	-65.64	404.29	10.58	-55.06
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCSCC1C(=O)[O-]	REAL300012674234	0	44	0.0	-70.07	340.73	8.55	-61.52
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCSCC1C(=O)[O-]	REAL300012674234	1	44	0.0	-71.90	337.43	9.18	-62.72
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012674235	0	49	0.0	-63.68	371.11	8.90	-54.78
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012674235	1	49	0.0	-64.35	375.21	8.59	-55.76
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012674236	0	47	0.0	-77.00	351.62	9.22	-67.78
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012674236	1	47	0.0	-78.44	347.48	9.52	-68.92
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012674237	0	42	0.0	-59.62	338.57	8.36	-51.26
CC1C[N@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012674237	1	42	0.0	-61.65	339.59	8.41	-53.24
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012674238	0	42	0.0	-59.62	338.57	8.36	-51.26
CC1C[N@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012674238	1	42	0.0	-61.65	339.59	8.41	-53.24
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012674239	0	55	0.0	-46.80	413.42	6.34	-40.46
CC1C[N@H+](C2CC2)CC1NC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012674239	1	55	0.0	-56.33	417.51	6.03	-50.30
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012674240	1	59	0.0	-46.46	438.63	6.21	-40.25
CC1C[N@H+](C2CC2)CC1NC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012674240	1	59	0.0	-55.90	442.71	5.90	-50.00
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1C[N@H+](C2CC2)CC1C	REAL300012674241	0	50	0.0	-45.78	385.73	10.60	-35.18
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1C[N@@H+](C2CC2)CC1C	REAL300012674241	1	50	0.0	-41.05	383.43	10.70	-30.35
CC1C[N@@H+](C2CC2)CC1NC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012674242	0	53	0.0	-51.35	390.57	11.27	-40.08
CC1C[N@H+](C2CC2)CC1NC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012674242	1	53	0.0	-58.31	390.38	11.10	-47.21
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012674243	0	51	0.0	-63.79	380.54	9.24	-54.55
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012674243	1	51	0.0	-67.32	386.42	8.95	-58.37
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012674244	0	46	0.0	-67.54	362.96	8.25	-59.29
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012674244	1	46	0.0	-64.59	367.42	7.82	-56.77
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012674245	0	49	0.0	-64.31	402.07	9.13	-55.18
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012674245	1	49	0.0	-64.38	405.52	8.84	-55.54
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012674246	0	51	0.0	-64.98	403.51	8.12	-56.86
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012674246	1	51	0.0	-64.76	407.30	7.83	-56.93
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012674247	0	45	0.0	-71.19	372.10	6.07	-65.12
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012674247	1	45	0.0	-65.02	375.62	5.76	-59.26
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012674248	0	46	0.0	-59.41	391.61	7.88	-51.53
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012674248	1	46	0.0	-64.92	391.67	7.89	-57.03
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012674249	0	46	0.0	-78.45	359.62	4.86	-73.59
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012674249	1	46	0.0	-79.70	356.32	5.49	-74.21
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012674250	0	47	0.0	-65.59	354.09	7.32	-58.27
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012674250	1	47	0.0	-66.48	357.56	6.90	-59.58
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012674251	0	46	0.0	-63.33	362.76	8.19	-55.14
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012674251	1	46	0.0	-68.01	363.07	8.23	-59.78
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012674252	0	49	0.0	-70.45	372.79	7.50	-62.95
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012674252	1	49	0.0	-68.12	381.21	7.18	-60.94
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012674253	0	49	0.0	-55.05	365.53	9.11	-45.94
CC1C[N@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012674253	1	49	0.0	-49.89	361.29	9.50	-40.39
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012674254	0	47	0.0	-71.44	358.74	4.02	-67.42
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012674254	1	47	0.0	-66.97	360.60	4.05	-62.92
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674255	0	55	0.0	-70.62	415.23	7.01	-63.61
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674255	1	55	0.0	-62.73	407.68	7.28	-55.45
CC1CCC(NC(=O)NC2C[N@@H+](C3CC3)CC2C)(C(=O)[O-])C1	REAL300012674256	0	49	0.0	-71.85	366.52	7.42	-64.43
CC1CCC(NC(=O)NC2C[N@H+](C3CC3)CC2C)(C(=O)[O-])C1	REAL300012674256	1	49	0.0	-66.72	366.24	7.45	-59.27
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012674257	0	52	0.0	-72.73	371.23	8.44	-64.29
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012674257	1	52	0.0	-72.07	376.83	8.18	-63.89
CC1C[N@@H+](C2CC2)CC1NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012674258	0	52	0.0	-69.03	398.20	10.71	-58.32
CC1C[N@H+](C2CC2)CC1NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012674258	1	52	0.0	-61.99	394.71	11.10	-50.89
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012674259	0	49	0.0	-67.30	368.24	8.14	-59.16
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012674259	1	49	0.0	-71.37	364.72	8.53	-62.84
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012674260	0	56	0.0	-72.76	412.08	10.49	-62.27
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012674260	1	56	0.0	-72.71	416.06	10.12	-62.59
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674261	0	55	0.0	-64.69	415.59	6.97	-57.72
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674261	1	55	0.0	-70.13	411.50	7.29	-62.84
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012674262	0	54	0.0	-59.45	405.59	11.78	-47.67
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012674262	1	54	0.0	-52.93	405.40	11.72	-41.21
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012674263	0	47	0.0	-67.36	354.37	4.99	-62.37
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012674263	1	47	0.0	-70.30	353.88	5.14	-65.16
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012674264	0	47	0.0	-73.37	352.02	8.75	-64.62
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012674264	1	47	0.0	-71.28	347.87	9.15	-62.13
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012674265	0	50	0.0	-70.37	395.21	8.26	-62.11
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012674265	1	50	0.0	-74.78	394.87	8.23	-66.55
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012674266	0	45	0.0	-73.77	344.48	6.47	-67.30
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012674266	1	45	0.0	-72.81	341.61	6.68	-66.13
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012674267	0	49	0.0	-71.96	353.06	9.95	-62.01
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012674267	1	49	0.0	-72.11	357.69	9.61	-62.50
CC(C1=CC=CC=C1)C(NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674268	0	52	0.0	-62.50	404.77	9.11	-53.39
CC(C1=CC=CC=C1)C(NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674268	1	52	0.0	-63.38	402.31	9.49	-53.89
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012674269	0	53	0.0	-62.12	395.06	9.96	-52.16
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012674269	1	53	0.0	-61.87	395.23	9.94	-51.93
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012674270	0	59	0.0	-70.51	419.20	8.86	-61.65
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012674270	1	59	0.0	-64.30	419.94	8.90	-55.40
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012674271	0	52	0.0	-69.49	380.23	8.34	-61.15
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012674271	1	52	0.0	-69.86	385.86	8.52	-61.34
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012674272	0	53	0.0	-62.02	399.47	7.83	-54.19
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012674272	1	53	0.0	-68.07	399.42	7.80	-60.27
CC1C[N@@H+](C2CC2)CC1NC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012674273	0	53	0.0	-44.34	377.25	9.46	-34.88
CC1C[N@H+](C2CC2)CC1NC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012674273	1	53	0.0	-51.11	376.06	9.32	-41.79
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012674274	0	53	0.0	-72.99	381.23	6.77	-66.22
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012674274	1	53	0.0	-73.13	381.26	6.74	-66.39
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012674275	0	52	0.0	-69.55	423.52	10.40	-59.15
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012674275	1	52	0.0	-70.01	419.92	10.24	-59.77
CC1=CC=CC2=C1CCN(C(=O)NC1C[N@H+](C3CC3)CC1C)C2C(=O)[O-]	REAL300012674276	0	53	0.0	-58.60	396.52	11.08	-47.52
CC1=CC=CC2=C1CCN(C(=O)NC1C[N@@H+](C3CC3)CC1C)C2C(=O)[O-]	REAL300012674276	1	53	0.0	-80.37	395.78	11.38	-68.99
CC1C[N@@H+](C2CC2)CC1NC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012674277	0	47	0.0	-47.54	348.72	9.05	-38.49
CC1C[N@H+](C2CC2)CC1NC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012674277	1	47	0.0	-46.81	348.06	8.91	-37.90
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012674278	0	53	0.0	-62.12	395.06	9.96	-52.16
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012674278	1	53	0.0	-61.87	395.23	9.94	-51.93
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012674279	0	49	0.0	-59.86	391.70	9.20	-50.66
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012674279	1	49	0.0	-65.66	396.04	8.82	-56.84
COC1CC(NC(=O)NC2C[N@@H+](C3CC3)CC2C)(C(=O)[O-])C1	REAL300012674280	0	47	0.0	-69.08	360.75	6.01	-63.07
COC1CC(NC(=O)NC2C[N@H+](C3CC3)CC2C)(C(=O)[O-])C1	REAL300012674280	1	47	0.0	-69.09	361.68	5.80	-63.29
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012674281	0	43	0.0	-71.06	336.70	6.83	-64.23
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012674281	1	43	0.0	-66.31	341.17	6.47	-59.84
CO[C@H]1C[C@](NC(=O)NC2C[N@@H+](C3CC3)CC2C)(C(=O)[O-])C1	REAL300012674282	0	47	0.0	-62.66	359.72	5.64	-57.02
CO[C@H]1C[C@](NC(=O)NC2C[N@H+](C3CC3)CC2C)(C(=O)[O-])C1	REAL300012674282	1	47	0.0	-68.35	364.56	5.73	-62.62
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012674283	0	46	0.0	-69.90	370.05	7.89	-62.01
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012674283	1	46	0.0	-62.56	368.56	7.43	-55.13
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](C2CC2)CC1C	REAL300012674284	0	49	0.0	-76.99	356.17	9.74	-67.25
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](C2CC2)CC1C	REAL300012674284	1	49	0.0	-68.22	358.83	9.74	-58.48
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012674285	0	42	0.0	-61.93	343.16	6.78	-55.15
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012674285	1	42	0.0	-61.41	346.35	6.46	-54.95
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012674286	0	50	0.0	-66.39	385.30	5.82	-60.57
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012674286	1	50	0.0	-62.98	381.91	6.18	-56.80
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012674287	0	46	0.0	-63.62	377.46	8.12	-55.50
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012674287	1	46	0.0	-61.77	381.63	7.81	-53.96
COCC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012674288	0	53	0.0	-63.37	408.39	7.80	-55.57
COCC(NC(=O)NC1C[N@H+](C2CC2)CC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012674288	1	53	0.0	-67.13	404.29	8.11	-59.02
CC1C[N@@H+](C2CC2)CC1NC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012674289	0	47	0.0	-75.67	349.61	8.83	-66.84
CC1C[N@H+](C2CC2)CC1NC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012674289	1	47	0.0	-70.26	349.13	8.55	-61.71
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](C2CC2)CC1C	REAL300012674290	0	52	0.0	-63.36	398.86	11.32	-52.04
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@H+](C2CC2)CC1C	REAL300012674290	1	52	0.0	-37.33	392.48	11.58	-25.75
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012674291	0	53	0.0	-67.33	424.82	8.68	-58.65
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012674291	1	53	0.0	-71.79	428.04	8.35	-63.44
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012674292	0	55	0.0	-67.87	411.59	8.94	-58.93
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012674292	1	55	0.0	-63.05	411.38	9.02	-54.03
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012674293	0	52	0.0	-64.04	408.64	9.88	-54.16
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012674293	1	52	0.0	-68.87	411.81	9.54	-59.33
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012674294	0	52	0.0	-69.04	408.55	9.84	-59.20
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012674294	1	52	0.0	-63.07	408.36	9.92	-53.15
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012674295	0	53	0.0	-70.50	386.38	8.52	-61.98
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012674295	1	53	0.0	-69.93	392.24	8.54	-61.39
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012674296	0	55	0.0	-68.76	407.29	9.33	-59.43
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012674296	1	55	0.0	-62.99	407.55	9.28	-53.71
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012674297	0	55	0.0	-63.27	407.55	9.29	-53.98
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012674297	1	55	0.0	-68.85	407.31	9.36	-59.49
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012674298	0	53	0.0	-52.87	392.71	9.61	-43.26
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012674298	1	53	0.0	-44.13	392.37	9.59	-34.54
CC1C[N@@H+](C2CC2)CC1NC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012674299	0	53	0.0	-76.97	384.55	9.64	-67.33
CC1C[N@H+](C2CC2)CC1NC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012674299	1	53	0.0	-74.33	385.34	9.90	-64.43
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012674300	0	53	0.0	-71.90	427.45	8.76	-63.14
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012674300	1	53	0.0	-68.35	431.55	8.44	-59.91
COC1=CC=C(CC(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])C=C1	REAL300012674301	0	53	0.0	-69.00	419.12	8.05	-60.95
COC1=CC=C(CC(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])C=C1	REAL300012674301	1	53	0.0	-64.15	415.10	8.40	-55.75
C=CCSCC(NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674302	0	47	0.0	-64.54	384.96	7.97	-56.57
C=CCSCC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674302	1	47	0.0	-63.54	384.77	7.99	-55.55
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012674303	0	50	0.0	-63.40	406.17	9.58	-53.82
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012674303	1	50	0.0	-68.55	409.61	9.16	-59.39
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012674304	0	53	0.0	-67.14	417.62	9.27	-57.87
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012674304	1	53	0.0	-73.03	420.92	8.97	-64.06
COC1(C(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])CCC1	REAL300012674305	0	50	0.0	-71.85	375.06	5.88	-65.97
COC1(C(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])CCC1	REAL300012674305	1	50	0.0	-59.63	374.24	5.67	-53.96
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012674306	0	52	0.0	-71.75	389.12	9.18	-62.57
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012674306	1	52	0.0	-69.53	388.64	9.08	-60.45
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012674307	0	53	0.0	-66.64	398.68	9.89	-56.75
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012674307	1	53	0.0	-71.08	394.67	10.21	-60.87
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012674308	0	46	0.0	-62.20	358.30	7.58	-54.62
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012674308	1	46	0.0	-69.95	360.34	7.61	-62.34
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012674310	0	58	0.0	-67.49	439.30	10.53	-56.96
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012674310	1	58	0.0	-63.57	443.40	10.22	-53.35
CC(C)C1=CC=C(C(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])C=C1	REAL300012674311	0	55	0.0	-64.15	427.66	9.74	-54.41
CC(C)C1=CC=C(C(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])C=C1	REAL300012674311	1	55	0.0	-67.42	423.32	10.14	-57.28
CC1C[N@@H+](C2CC2)CC1NC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012674312	0	45	0.0	-45.36	345.54	8.43	-36.93
CC1C[N@H+](C2CC2)CC1NC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012674312	1	45	0.0	-53.06	345.81	8.31	-44.75
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012674313	0	49	0.0	-71.31	363.61	8.61	-62.70
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012674313	1	49	0.0	-70.46	365.66	8.31	-62.15
CCOC1=CC=C(C(NC(=O)NC2C[N@@H+](C3CC3)CC2C)C(=O)[O-])C=C1	REAL300012674314	0	53	0.0	-64.32	418.78	8.03	-56.29
CCOC1=CC=C(C(NC(=O)NC2C[N@H+](C3CC3)CC2C)C(=O)[O-])C=C1	REAL300012674314	1	53	0.0	-67.53	414.44	8.44	-59.09
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012674315	0	53	0.0	-71.51	380.98	10.71	-60.80
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012674315	1	53	0.0	-74.92	386.63	10.57	-64.35
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012674316	0	53	0.0	-65.71	404.39	10.09	-55.62
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012674316	1	53	0.0	-70.18	398.70	9.70	-60.48
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012674317	0	53	0.0	-73.49	405.74	9.16	-64.33
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012674317	1	53	0.0	-67.54	405.63	9.22	-58.32
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012674318	0	49	0.0	-66.64	399.37	9.16	-57.48
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012674318	1	49	0.0	-72.56	399.57	9.07	-63.49
CC(C)CCC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674319	0	51	0.0	-62.90	387.60	8.17	-54.73
CC(C)CCC(NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674319	1	51	0.0	-61.92	386.96	8.17	-53.75
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012674320	0	50	0.0	-47.63	373.71	9.49	-38.14
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012674320	1	50	0.0	-53.26	378.76	9.10	-44.16
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012674321	0	50	0.0	-66.39	385.30	5.82	-60.57
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012674321	1	50	0.0	-62.98	381.91	6.18	-56.80
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](C3CC3)CC2C)C1	REAL300012674322	0	47	0.0	-72.18	372.63	8.84	-63.34
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](C3CC3)CC2C)C1	REAL300012674322	1	47	0.0	-70.25	368.84	9.15	-61.10
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012674323	0	50	0.0	-64.30	365.18	8.63	-55.67
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012674323	1	50	0.0	-74.38	366.56	8.58	-65.80
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012674324	0	47	0.0	-73.76	349.53	8.01	-65.75
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012674324	1	47	0.0	-70.11	350.78	7.87	-62.24
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012674325	0	50	0.0	-70.95	370.90	8.40	-62.55
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012674325	1	50	0.0	-65.16	370.70	8.40	-56.76
CC1C[N@@H+](C2CC2)CC1NC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012674326	0	52	0.0	-68.53	398.21	10.67	-57.86
CC1C[N@H+](C2CC2)CC1NC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012674326	1	52	0.0	-62.11	394.71	11.10	-51.01
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012674327	0	56	0.0	-41.01	402.77	10.43	-30.58
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012674327	1	56	0.0	-43.62	405.51	10.11	-33.51
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012674328	0	49	0.0	-61.64	366.33	7.74	-53.90
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012674328	1	49	0.0	-64.18	367.45	7.27	-56.91
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012674329	0	49	0.0	-47.54	383.95	10.91	-36.63
CC1C[N@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012674329	1	49	0.0	-54.75	388.17	10.56	-44.19
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012674330	0	56	0.0	-68.32	437.52	11.55	-56.77
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012674330	1	56	0.0	-64.46	441.38	11.30	-53.16
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012674331	0	49	0.0	-53.90	370.61	8.31	-45.59
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012674331	1	49	0.0	-53.39	371.66	8.42	-44.97
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012674332	0	50	0.0	-54.49	389.88	10.72	-43.77
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012674332	1	50	0.0	-54.15	394.03	10.25	-43.90
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012674333	0	52	0.0	-60.72	409.92	9.94	-50.78
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012674333	1	52	0.0	-65.63	413.95	9.59	-56.04
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012674334	0	46	0.0	-70.09	351.79	8.66	-61.43
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012674334	1	46	0.0	-71.38	348.56	9.24	-62.14
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012674335	0	43	0.0	-75.71	343.74	7.39	-68.32
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012674335	1	43	0.0	-73.11	342.17	7.44	-65.67
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012674336	0	49	0.0	-59.86	391.70	9.20	-50.66
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012674336	1	49	0.0	-65.66	396.04	8.82	-56.84
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012674337	0	46	0.0	-62.55	376.42	8.01	-54.54
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012674337	1	46	0.0	-63.34	380.58	7.68	-55.66
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012674338	0	46	0.0	-73.38	359.57	8.45	-64.93
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012674338	1	46	0.0	-61.91	355.05	8.65	-53.26
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012674339	0	50	0.0	-71.06	394.57	8.50	-62.56
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012674339	1	50	0.0	-69.82	389.97	8.87	-60.95
CC1C[N@@H+](C2CC2)CC1NC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012674340	0	54	0.0	-67.88	417.24	10.08	-57.80
CC1C[N@H+](C2CC2)CC1NC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012674340	1	54	0.0	-66.69	414.93	10.21	-56.48
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012674341	0	46	0.0	-62.55	376.42	8.01	-54.54
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012674341	1	46	0.0	-63.34	380.58	7.68	-55.66
CC1C[N@@H+](C2CC2)CC1NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012674342	0	50	0.0	-70.71	364.46	9.43	-61.28
CC1C[N@H+](C2CC2)CC1NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012674342	1	50	0.0	-70.68	363.74	9.06	-61.62
COCCCC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674343	0	49	0.0	-61.55	381.38	5.96	-55.59
COCCCC(NC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300012674343	1	49	0.0	-61.52	381.57	5.94	-55.58
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012674344	0	51	0.0	-67.87	382.11	8.14	-59.73
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012674344	1	51	0.0	-68.70	381.22	8.15	-60.55
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012674345	0	50	0.0	-64.93	378.39	6.61	-58.32
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012674345	1	50	0.0	-71.52	377.69	6.22	-65.30
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012674346	0	46	0.0	-62.12	383.99	8.78	-53.34
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012674346	1	46	0.0	-67.34	388.67	8.42	-58.92
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012674347	0	50	0.0	-65.78	382.81	9.47	-56.31
CC1C[N@H+](C2CC2)CC1NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012674347	1	50	0.0	-69.41	381.30	9.32	-60.09
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012674348	0	47	0.0	-71.65	352.78	7.22	-64.43
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012674348	1	47	0.0	-70.08	348.08	7.26	-62.82
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012674349	0	49	0.0	-63.38	368.25	9.04	-54.34
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012674349	1	49	0.0	-67.28	367.93	8.99	-58.29
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012674350	0	60	0.0	-66.67	423.33	9.93	-56.74
CC1C[N@H+](C2CC2)CC1NC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012674350	1	60	0.0	-65.61	418.80	10.16	-55.45
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012674351	0	52	0.0	-64.35	410.12	9.44	-54.91
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012674351	1	52	0.0	-67.38	415.53	9.34	-58.04
CC1C[N@@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012674352	0	46	0.0	-55.53	365.82	9.04	-46.49
CC1C[N@H+](C2CC2)CC1NC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012674352	1	46	0.0	-55.61	369.84	8.70	-46.91
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012674353	0	57	0.0	-73.00	402.27	9.28	-63.72
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012674353	1	57	0.0	-71.05	402.48	9.04	-62.01
CC1C[N@@H+](C2CC2)CC1NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012674354	0	48	0.0	-60.15	397.32	7.69	-52.46
CC1C[N@H+](C2CC2)CC1NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012674354	1	48	0.0	-64.07	397.37	7.72	-56.35
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](C3CC3)CC2C)C1	REAL300012674355	0	50	0.0	-73.89	385.18	7.62	-66.27
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](C3CC3)CC2C)C1	REAL300012674355	1	50	0.0	-69.63	385.05	7.64	-61.99
COC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])CC(C)C	REAL300012674768	0	59	0.0	-58.23	436.84	5.96	-52.27
COC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCC1	REAL300012675468	0	54	0.0	-63.36	406.26	5.11	-58.25
CC(C)OC1CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1(C)C	REAL300012675941	0	63	0.0	-62.86	469.56	7.85	-55.01
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC(OC(C)(C)C)C2)CC1	REAL300012676219	0	60	0.0	-62.76	448.70	6.95	-55.81
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C(C)(C)O)CC1	REAL300012676464	0	59	0.0	-59.82	417.84	4.17	-55.65
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2(O)CCCOC2)CC1	REAL300012677042	0	58	0.0	-62.70	430.97	3.16	-59.54
CSC1=CC=CC(F)=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012677470	0	54	0.0	-65.48	433.79	8.33	-57.15
CC(C)C[C@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677821	1	55	0.0	-71.01	423.93	10.24	-60.77
CC(C)C[C@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677821	1	55	0.0	-67.10	416.33	9.38	-57.72
C=CCOCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677822	1	54	0.0	-72.14	432.10	8.61	-63.53
C=CCOCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677822	1	54	0.0	-78.93	429.63	7.79	-71.14
C=CC(C)C(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677823	1	53	0.0	-69.31	415.51	9.99	-59.32
C=CC(C)C(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677823	1	53	0.0	-70.73	412.47	9.09	-61.64
CC1CCN(C(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012677824	1	56	0.0	-77.59	409.67	12.38	-65.21
CC1CCN(C(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012677824	1	56	0.0	-78.10	409.75	12.43	-65.67
CCCN(CC(=O)[O-])C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677825	1	52	0.0	-56.56	404.80	11.37	-45.19
CCCN(CC(=O)[O-])C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677825	1	52	0.0	-56.83	403.07	10.56	-46.27
CC(C(=O)[O-])N(C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1CCC1	REAL300012677826	1	56	0.0	-48.79	412.79	11.95	-36.84
CC(C(=O)[O-])N(C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1CCC1	REAL300012677826	1	56	0.0	-51.38	408.74	11.74	-39.64
CCCN(C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012677827	1	58	0.0	-49.13	429.18	12.32	-36.81
CCCN(C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012677827	1	58	0.0	-67.14	423.84	11.55	-55.59
CC(C)C(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677828	1	52	0.0	-66.38	396.82	9.23	-57.15
CC(C)C(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677828	1	52	0.0	-73.53	400.68	8.57	-64.96
O=C([O-])C1CCCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677829	1	53	0.0	-75.12	393.83	11.72	-63.40
O=C([O-])C1CCCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677829	1	53	0.0	-77.84	395.71	12.10	-65.74
O=C([O-])C1CSCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677830	1	51	0.0	-74.37	391.31	11.57	-62.80
O=C([O-])C1CSCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677830	1	51	0.0	-83.25	393.91	11.10	-72.15
O=C([O-])C1(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CCCCC1	REAL300012677831	1	56	0.0	-69.05	414.90	11.03	-58.02
O=C([O-])C1(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CCCCC1	REAL300012677831	1	56	0.0	-74.70	414.94	11.04	-63.66
O=C([O-])C1CCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677832	1	50	0.0	-76.48	384.24	10.73	-65.75
O=C([O-])C1CCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677832	1	50	0.0	-73.03	384.24	10.76	-62.27
O=C([O-])C1(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CCCC1	REAL300012677833	1	53	0.0	-70.32	400.49	9.94	-60.38
O=C([O-])C1(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CCCC1	REAL300012677833	1	53	0.0	-74.12	400.46	9.96	-64.16
O=C([O-])CNC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677834	1	43	0.0	-61.33	342.86	6.98	-54.35
O=C([O-])CNC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677834	1	43	0.0	-61.34	342.83	6.98	-54.36
O=C([O-])[C@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012677835	1	53	0.0	-67.66	421.31	10.98	-56.68
O=C([O-])[C@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012677835	1	53	0.0	-71.24	421.62	10.89	-60.35
O=C([O-])C(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012677836	1	53	0.0	-68.39	421.42	10.98	-57.41
O=C([O-])C(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012677836	1	53	0.0	-73.78	419.17	10.09	-63.69
CCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677837	1	49	0.0	-68.26	385.48	8.83	-59.43
CCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677837	1	49	0.0	-72.26	382.81	8.01	-64.25
CC(C)C(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677838	1	52	0.0	-66.38	396.82	9.23	-57.15
CC(C)C(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677838	1	52	0.0	-73.53	400.68	8.57	-64.96
CN(CC(=O)[O-])C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677839	1	46	0.0	-66.82	361.51	9.63	-57.19
CN(CC(=O)[O-])C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677839	1	46	0.0	-77.36	359.76	8.82	-68.54
CC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677840	1	46	0.0	-61.58	363.86	7.77	-53.81
CC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677840	1	46	0.0	-66.10	361.64	7.00	-59.10
CCC(C)C(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677841	1	55	0.0	-68.99	420.47	10.03	-58.96
CCC(C)C(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677841	1	55	0.0	-73.98	414.88	8.96	-65.02
CN(CC(=O)[O-])C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677842	1	46	0.0	-66.82	361.51	9.63	-57.19
CN(CC(=O)[O-])C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677842	1	46	0.0	-77.36	359.76	8.82	-68.54
O=C([O-])C1CCCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677843	1	53	0.0	-75.12	393.83	11.72	-63.40
O=C([O-])C1CCCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677843	1	53	0.0	-77.84	395.71	12.10	-65.74
CCCC(C)(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677844	1	55	0.0	-69.97	411.12	9.96	-60.01
CCCC(C)(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677844	1	55	0.0	-71.94	409.27	9.13	-62.81
CC(C)N(CC(=O)[O-])C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677845	1	52	0.0	-69.51	392.10	11.02	-58.49
CC(C)N(CC(=O)[O-])C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677845	1	52	0.0	-78.99	389.77	10.85	-68.14
O=C([O-])CN(C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300012677846	1	50	0.0	-55.68	386.98	11.02	-44.66
O=C([O-])CN(C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300012677846	1	50	0.0	-59.67	388.66	10.55	-49.12
C=CCN(CC(=O)[O-])C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677847	1	50	0.0	-58.38	398.75	10.62	-47.76
C=CCN(CC(=O)[O-])C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677847	1	50	0.0	-56.65	394.38	10.37	-46.28
CC(C)CN(CC(=O)[O-])C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677848	1	55	0.0	-56.89	420.56	11.79	-45.10
CC(C)CN(CC(=O)[O-])C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677848	1	55	0.0	-54.97	417.00	10.82	-44.15
CC(C)(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677849	1	49	0.0	-60.38	376.12	8.20	-52.18
CC(C)(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677849	1	49	0.0	-65.00	373.89	7.33	-57.67
CC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)(C(=O)[O-])C1CC1	REAL300012677850	1	53	0.0	-70.15	398.96	9.95	-60.20
CC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)(C(=O)[O-])C1CC1	REAL300012677850	1	53	0.0	-71.62	399.09	9.95	-61.67
O=C([O-])C1(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CCCCC1	REAL300012677851	1	56	0.0	-69.05	414.90	11.03	-58.02
O=C([O-])C1(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CCCCC1	REAL300012677851	1	56	0.0	-74.70	414.94	11.04	-63.66
CC(C)N(CC(=O)[O-])C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677852	1	52	0.0	-69.51	392.10	11.02	-58.49
CC(C)N(CC(=O)[O-])C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677852	1	52	0.0	-78.99	389.77	10.85	-68.14
CCCN(CC(=O)[O-])C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677853	1	52	0.0	-56.56	404.80	11.37	-45.19
CCCN(CC(=O)[O-])C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677853	1	52	0.0	-56.83	403.07	10.56	-46.27
CCN(CC(=O)[O-])C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677854	1	49	0.0	-66.48	375.84	9.81	-56.67
CCN(CC(=O)[O-])C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677854	1	49	0.0	-77.56	381.57	9.80	-67.76
CC[C@H](C)[C@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677855	1	55	0.0	-71.24	416.62	9.78	-61.46
CC[C@H](C)[C@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677855	1	55	0.0	-67.27	415.03	9.76	-57.51
O=C([O-])C1(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CCCC1	REAL300012677856	1	53	0.0	-70.32	400.49	9.94	-60.38
O=C([O-])C1(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CCCC1	REAL300012677856	1	53	0.0	-74.12	400.46	9.96	-64.16
CCC(C)(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677857	1	52	0.0	-69.07	389.51	9.19	-59.88
CCC(C)(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677857	1	52	0.0	-70.22	387.28	8.32	-61.90
C[C@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677858	1	46	0.0	-62.13	363.48	7.83	-54.30
C[C@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677858	1	46	0.0	-66.11	361.65	7.00	-59.11
CCN(CC(=O)[O-])C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677859	1	49	0.0	-66.48	375.84	9.81	-56.67
CCN(CC(=O)[O-])C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677859	1	49	0.0	-77.56	381.57	9.80	-67.76
C[C@@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677860	1	46	0.0	-61.57	363.86	7.77	-53.80
C[C@@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677860	1	46	0.0	-62.30	363.62	7.80	-54.50
O=C([O-])C1(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300012677861	1	47	0.0	-71.46	369.69	9.02	-62.44
O=C([O-])C1(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300012677861	1	47	0.0	-73.90	362.01	8.22	-65.68
O=C([O-])C1COCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677862	1	51	0.0	-73.24	385.87	9.29	-63.95
O=C([O-])C1COCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677862	1	51	0.0	-80.31	384.28	8.43	-71.88
O=C([O-])C(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300012677863	1	50	0.0	-70.65	395.13	9.36	-61.29
O=C([O-])C(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300012677863	1	50	0.0	-68.55	395.20	9.37	-59.18
COCCN(CC(=O)[O-])C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677864	1	53	0.0	-57.00	414.68	9.80	-47.20
COCCN(CC(=O)[O-])C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677864	1	53	0.0	-55.63	406.87	9.09	-46.54
O=C([O-])[C@H]1CCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677865	1	50	0.0	-73.44	385.01	10.42	-63.02
O=C([O-])[C@H]1CCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677865	1	50	0.0	-76.97	384.99	10.42	-66.55
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677866	1	53	0.0	-75.13	394.85	11.76	-63.37
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677866	1	53	0.0	-76.44	395.12	11.74	-64.70
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677867	1	49	0.0	-65.42	376.00	9.79	-55.63
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677867	1	49	0.0	-73.66	374.66	9.06	-64.60
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677868	1	50	0.0	-76.96	385.00	10.43	-66.53
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677868	1	50	0.0	-72.24	384.80	10.42	-61.82
O=C([O-])C1(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CCC1	REAL300012677869	1	50	0.0	-74.89	386.73	9.53	-65.36
O=C([O-])C1(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CCC1	REAL300012677869	1	50	0.0	-74.86	386.60	9.58	-65.28
C=CCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677870	1	50	0.0	-69.50	397.97	9.29	-60.21
C=CCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677870	1	50	0.0	-72.62	396.95	8.44	-64.18
CC1(C(=O)[O-])CCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677871	1	53	0.0	-75.93	401.25	11.26	-64.67
CC1(C(=O)[O-])CCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677871	1	53	0.0	-75.33	393.49	10.49	-64.84
O=C([O-])C1CCCCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677872	1	56	0.0	-73.41	408.31	12.28	-61.13
O=C([O-])C1CCCCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677872	1	56	0.0	-76.30	400.59	11.46	-64.84
O=C([O-])C(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300012677873	1	50	0.0	-70.65	395.13	9.36	-61.29
O=C([O-])C(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300012677873	1	50	0.0	-68.55	395.20	9.37	-59.18
CC(C(=O)[O-])N(C)C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677874	1	49	0.0	-67.35	376.51	9.89	-57.46
CC(C(=O)[O-])N(C)C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677874	1	49	0.0	-70.52	373.59	9.00	-61.52
CCCCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677875	1	55	0.0	-67.32	428.38	10.37	-56.95
CCCCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677875	1	55	0.0	-70.95	425.90	9.56	-61.39
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677876	1	53	0.0	-82.30	399.03	10.40	-71.90
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677876	1	53	0.0	-72.10	393.57	10.46	-61.64
O=C([O-])CN(C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012677877	1	56	0.0	-57.75	422.32	11.63	-46.12
O=C([O-])CN(C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012677877	1	56	0.0	-54.70	417.39	11.33	-43.37
COCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677878	1	50	0.0	-71.68	396.86	7.05	-64.63
COCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677878	1	50	0.0	-74.46	395.50	6.24	-68.22
CCCCCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677879	1	58	0.0	-71.14	449.98	11.16	-59.98
CCCCCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677879	1	58	0.0	-71.54	447.64	10.28	-61.26
CN(C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1(C(=O)[O-])CCCC1	REAL300012677880	1	56	0.0	-75.85	403.16	10.92	-64.93
CN(C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1(C(=O)[O-])CCCC1	REAL300012677880	1	56	0.0	-72.85	410.93	11.66	-61.19
CC(C(=O)[O-])N(C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300012677881	1	53	0.0	-60.89	398.71	11.01	-49.88
CC(C(=O)[O-])N(C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300012677881	1	53	0.0	-58.65	402.89	11.45	-47.20
CCC(C(=O)[O-])N(C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300012677882	1	56	0.0	-61.45	424.62	11.76	-49.69
CCC(C(=O)[O-])N(C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300012677882	1	56	0.0	-63.08	420.43	11.46	-51.62
COCC(C)(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677883	1	53	0.0	-69.73	407.76	8.48	-61.25
COCC(C)(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677883	1	53	0.0	-80.12	405.52	7.61	-72.51
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677884	1	56	0.0	-68.78	427.87	10.14	-58.64
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677884	1	56	0.0	-71.50	426.14	9.46	-62.04
CC(C)CN(CC(=O)[O-])C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677885	1	55	0.0	-56.89	420.56	11.79	-45.10
CC(C)CN(CC(=O)[O-])C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677885	1	55	0.0	-54.97	417.00	10.82	-44.15
O=C([O-])CN(C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300012677886	1	50	0.0	-55.68	386.98	11.02	-44.66
O=C([O-])CN(C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300012677886	1	50	0.0	-59.67	388.66	10.55	-49.12
O=C([O-])C1(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CCOC1	REAL300012677887	1	51	0.0	-65.80	390.92	7.37	-58.43
O=C([O-])C1(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CCOC1	REAL300012677887	1	51	0.0	-66.83	391.15	7.32	-59.51
O=C([O-])C1(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CCOCC1	REAL300012677888	1	54	0.0	-70.09	406.41	8.56	-61.53
O=C([O-])C1(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CCOCC1	REAL300012677888	1	54	0.0	-72.78	398.79	7.73	-65.05
C=CCCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677889	1	53	0.0	-70.10	419.69	10.15	-59.95
C=CCCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677889	1	53	0.0	-77.73	417.95	9.33	-68.40
O=C([O-])C(CF)NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677890	1	46	0.0	-59.11	367.27	7.82	-51.29
O=C([O-])C(CF)NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677890	1	46	0.0	-64.02	365.43	6.99	-57.03
CC(C(=O)[O-])N(C)C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677891	1	49	0.0	-67.35	376.51	9.89	-57.46
CC(C(=O)[O-])N(C)C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677891	1	49	0.0	-70.52	373.59	9.00	-61.52
CCC(CC)(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677892	1	55	0.0	-67.33	406.00	10.09	-57.24
CCC(CC)(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677892	1	55	0.0	-71.25	405.97	10.08	-61.17
CCC(C)N(CC(=O)[O-])C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677893	1	55	0.0	-57.35	419.70	11.49	-45.86
CCC(C)N(CC(=O)[O-])C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677893	1	55	0.0	-46.72	407.99	11.34	-35.38
CCC(COC)(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677894	1	56	0.0	-72.13	424.30	9.40	-62.73
CCC(COC)(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677894	1	56	0.0	-77.50	422.70	8.56	-68.94
O=C([O-])C(CC1CC1)NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677895	1	53	0.0	-70.42	416.99	10.38	-60.04
O=C([O-])C(CC1CC1)NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677895	1	53	0.0	-70.97	415.04	9.45	-61.52
COCCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677896	1	53	0.0	-71.14	419.05	7.88	-63.26
COCCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677896	1	53	0.0	-78.34	417.31	7.06	-71.28
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677897	1	58	0.0	-68.15	434.31	12.20	-55.95
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677897	1	58	0.0	-70.56	431.88	11.47	-59.09
O=C([O-])C(CC(F)F)NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677898	1	49	0.0	-65.09	395.16	9.36	-55.73
O=C([O-])C(CC(F)F)NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677898	1	49	0.0	-66.77	393.52	8.54	-58.23
CCCN(C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012677899	1	55	0.0	-49.42	408.61	11.92	-37.50
CCCN(C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012677899	1	55	0.0	-67.95	407.12	10.63	-57.32
O=C([O-])C(CCF)NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677900	1	49	0.0	-69.50	391.14	8.97	-60.53
O=C([O-])C(CCF)NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677900	1	49	0.0	-77.09	390.23	8.14	-68.95
CC(CCF)(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677901	1	52	0.0	-62.61	396.10	9.32	-53.29
CC(CCF)(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677901	1	52	0.0	-69.06	394.37	8.50	-60.56
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677902	1	50	0.0	-67.45	390.40	9.75	-57.70
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677902	1	50	0.0	-77.65	396.17	9.73	-67.92
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677903	1	49	0.0	-67.42	375.47	9.87	-57.55
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677903	1	49	0.0	-70.40	373.73	9.06	-61.34
O=C([O-])C12CC(C1)CN2C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677904	1	51	0.0	-77.83	389.55	11.30	-66.53
O=C([O-])C12CC(C1)CN2C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677904	1	51	0.0	-77.89	389.56	11.40	-66.49
CC(C)(C)[C@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677905	1	55	0.0	-70.37	414.56	9.93	-60.44
CC(C)(C)[C@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677905	1	55	0.0	-67.41	414.63	9.94	-57.47
C=C(Cl)CC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677906	1	50	0.0	-71.83	414.76	9.88	-61.95
C=C(Cl)CC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677906	1	50	0.0	-74.09	412.91	9.05	-65.04
C=C(C)CC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677907	1	53	0.0	-70.52	419.09	10.09	-60.43
C=C(C)CC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677907	1	53	0.0	-72.17	416.66	9.21	-62.96
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677908	1	54	0.0	-79.34	404.18	12.19	-67.15
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677908	1	54	0.0	-86.09	402.16	11.35	-74.74
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677909	1	50	0.0	-70.62	397.22	10.91	-59.71
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677909	1	50	0.0	-72.22	395.67	9.75	-62.47
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677910	1	50	0.0	-81.88	388.81	10.01	-71.87
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677910	1	50	0.0	-76.45	388.87	10.00	-66.45
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300012677911	1	51	0.0	-75.46	390.73	10.00	-65.46
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)C1	REAL300012677911	1	51	0.0	-73.53	398.49	10.81	-62.72
CC(C)C[C@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677912	1	55	0.0	-71.01	423.93	10.24	-60.77
CC(C)C[C@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677912	1	55	0.0	-67.10	416.33	9.38	-57.72
O=C([O-])C(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012677913	1	53	0.0	-68.39	421.42	10.98	-57.41
O=C([O-])C(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012677913	1	53	0.0	-73.78	419.17	10.09	-63.69
O=C([O-])C(CC1CC1)NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677914	1	53	0.0	-70.42	416.99	10.38	-60.04
O=C([O-])C(CC1CC1)NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677914	1	53	0.0	-70.97	415.04	9.45	-61.52
CSCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677915	1	50	0.0	-66.84	408.28	9.27	-57.57
CSCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677915	1	50	0.0	-69.96	406.44	8.44	-61.52
COC[C@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677916	1	50	0.0	-72.28	397.34	7.07	-65.21
COC[C@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677916	1	50	0.0	-72.34	394.53	6.19	-66.15
CC[C@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677917	1	49	0.0	-70.56	385.38	8.82	-61.74
CC[C@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677917	1	49	0.0	-65.92	376.80	8.03	-57.89
CCC(C)CC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677918	1	58	0.0	-71.50	442.42	10.79	-60.71
CCC(C)CC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677918	1	58	0.0	-72.41	439.74	9.96	-62.45
C=CCCCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677919	1	56	0.0	-70.47	441.29	10.93	-59.54
C=CCCCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677919	1	56	0.0	-71.22	438.96	10.07	-61.15
O=C([O-])C1CSCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677920	1	51	0.0	-74.37	391.31	11.57	-62.80
O=C([O-])C1CSCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677920	1	51	0.0	-83.25	393.91	11.10	-72.15
O=C([O-])[C@H]1CCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677921	1	50	0.0	-73.44	385.01	10.42	-63.02
O=C([O-])[C@H]1CCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677921	1	50	0.0	-76.97	384.99	10.42	-66.55
CCCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677922	1	52	0.0	-67.44	406.74	9.66	-57.78
CCCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677922	1	52	0.0	-77.44	404.90	8.82	-68.62
CC(C)[C@@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677923	1	52	0.0	-67.55	397.49	9.14	-58.41
CC(C)[C@@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677923	1	52	0.0	-77.40	400.18	8.53	-68.87
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677924	1	54	0.0	-87.02	403.85	11.48	-75.54
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677924	1	54	0.0	-79.46	406.70	12.27	-67.19
CCN(C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012677925	1	55	0.0	-68.73	412.33	10.96	-57.77
CCN(C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012677925	1	55	0.0	-73.46	408.01	10.76	-62.70
CCCN(C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012677926	1	55	0.0	-49.42	408.61	11.92	-37.50
CCCN(C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012677926	1	55	0.0	-67.95	407.12	10.63	-57.32
CN(C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012677927	1	52	0.0	-69.71	390.84	10.68	-59.03
CN(C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300012677927	1	52	0.0	-80.34	388.61	9.95	-70.39
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677928	1	50	0.0	-76.96	385.00	10.43	-66.53
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677928	1	50	0.0	-72.24	384.80	10.42	-61.82
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677929	1	51	0.0	-75.78	396.29	7.02	-68.76
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677929	1	51	0.0	-79.69	396.27	7.00	-72.69
CCC[C@@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677930	1	52	0.0	-66.57	406.64	9.65	-56.92
CCC[C@@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677930	1	52	0.0	-70.65	406.70	9.65	-61.00
O=C([O-])[C@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012677931	1	53	0.0	-67.66	421.31	10.98	-56.68
O=C([O-])[C@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012677931	1	53	0.0	-71.24	421.62	10.89	-60.35
C=CCCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677932	1	53	0.0	-70.10	419.69	10.15	-59.95
C=CCCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677932	1	53	0.0	-77.73	417.95	9.33	-68.40
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677933	1	53	0.0	-76.46	399.13	10.40	-66.06
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677933	1	53	0.0	-83.49	399.37	10.45	-73.04
CC(C)[C@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677934	1	52	0.0	-70.99	402.42	9.39	-61.60
CC(C)[C@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677934	1	52	0.0	-68.51	402.49	9.40	-59.11
O=C([O-])[C@@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012677935	1	53	0.0	-70.78	421.42	10.98	-59.80
O=C([O-])[C@@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012677935	1	53	0.0	-67.72	413.76	10.09	-57.63
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677936	1	49	0.0	-67.42	375.47	9.87	-57.55
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677936	1	49	0.0	-70.40	373.73	9.06	-61.34
CCC[C@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677937	1	52	0.0	-70.59	406.74	9.66	-60.93
CCC[C@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677937	1	52	0.0	-71.05	404.40	8.78	-62.27
CCN(C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012677938	1	52	0.0	-69.26	388.16	10.51	-58.75
CCN(C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012677938	1	52	0.0	-69.97	388.59	10.56	-59.41
O=C([O-])CN(C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012677939	1	56	0.0	-57.75	422.32	11.63	-46.12
O=C([O-])CN(C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012677939	1	56	0.0	-54.70	417.39	11.33	-43.37
CC(CN(C)C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677940	1	52	0.0	-73.33	396.44	10.32	-63.01
CC(CN(C)C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677940	1	52	0.0	-78.09	393.99	9.47	-68.62
CC[C@H](C)[C@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677941	1	55	0.0	-71.24	416.62	9.78	-61.46
CC[C@H](C)[C@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677941	1	55	0.0	-67.27	415.03	9.76	-57.51
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677942	1	52	0.0	-68.08	396.96	10.96	-57.12
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677942	1	52	0.0	-69.86	393.57	9.94	-59.92
O=C([O-])C1(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CC(CO)C1	REAL300012677943	1	54	0.0	-79.70	417.03	6.71	-72.99
O=C([O-])C1(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CC(CO)C1	REAL300012677943	1	54	0.0	-79.60	416.84	6.73	-72.87
CC1CCC(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012677944	1	56	0.0	-69.42	421.39	10.56	-58.86
CC1CCC(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012677944	1	56	0.0	-74.33	420.67	10.58	-63.75
COCCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677945	1	53	0.0	-71.14	419.05	7.88	-63.26
COCCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677945	1	53	0.0	-78.34	417.31	7.06	-71.28
CC1(C)CC(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012677946	1	56	0.0	-76.09	420.47	10.35	-65.74
CC1(C)CC(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012677946	1	56	0.0	-74.27	415.24	10.43	-63.84
CC1(C(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012677947	1	53	0.0	-71.00	413.98	9.93	-61.07
CC1(C(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012677947	1	53	0.0	-73.74	409.05	10.18	-63.56
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677948	1	51	0.0	-85.43	394.34	6.37	-79.06
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677948	1	51	0.0	-81.61	394.79	7.16	-74.45
O=C([O-])C(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1CCOC1	REAL300012677949	1	54	0.0	-66.76	417.24	8.04	-58.72
O=C([O-])C(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1CCOC1	REAL300012677949	1	54	0.0	-76.60	410.81	7.01	-69.59
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677950	1	54	0.0	-81.08	406.41	11.86	-69.22
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677950	1	54	0.0	-77.39	406.42	11.87	-65.52
O=C([O-])C12COC(CN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300012677951	1	52	0.0	-75.76	392.18	8.63	-67.13
O=C([O-])C12COC(CN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C2	REAL300012677951	1	52	0.0	-82.37	396.36	8.77	-73.60
CC1CCC(C(=O)[O-])N(C(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300012677952	1	56	0.0	-75.32	416.07	12.35	-62.97
CC1CCC(C(=O)[O-])N(C(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)C1	REAL300012677952	1	56	0.0	-76.27	413.96	12.26	-64.01
O=C([O-])C(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1CCC1	REAL300012677953	1	53	0.0	-70.06	409.44	9.80	-60.26
O=C([O-])C(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1CCC1	REAL300012677953	1	53	0.0	-78.76	403.77	8.88	-69.88
O=C([O-])C(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1CCC1	REAL300012677954	1	53	0.0	-70.06	409.44	9.80	-60.26
O=C([O-])C(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1CCC1	REAL300012677954	1	53	0.0	-78.76	403.77	8.88	-69.88
CC1CCN(C(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300012677955	1	53	0.0	-76.73	404.71	11.31	-65.42
CC1CCN(C(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300012677955	1	53	0.0	-79.51	402.94	10.49	-69.02
C=CCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677956	1	50	0.0	-69.50	397.97	9.29	-60.21
C=CCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677956	1	50	0.0	-72.62	396.95	8.44	-64.18
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677957	1	54	0.0	-54.23	410.15	11.14	-43.09
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677957	1	54	0.0	-49.88	407.87	11.76	-38.12
COC1CC(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012677958	1	54	0.0	-66.54	418.20	8.40	-58.14
COC1CC(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012677958	1	54	0.0	-70.56	418.05	8.42	-62.14
O=C([O-])C1(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CC(F)(F)C1	REAL300012677959	1	50	0.0	-70.59	395.06	9.57	-61.02
O=C([O-])C1(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CC(F)(F)C1	REAL300012677959	1	50	0.0	-73.75	395.29	9.57	-64.18
CO[C@H]1C[C@](NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012677960	1	54	0.0	-70.56	418.45	8.79	-61.77
CO[C@H]1C[C@](NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300012677960	1	54	0.0	-68.52	418.55	8.79	-59.73
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677961	1	56	0.0	-77.04	417.01	12.39	-64.65
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677961	1	56	0.0	-85.75	412.19	11.41	-74.34
O=C([O-])C1(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)COC1	REAL300012677962	1	48	0.0	-66.25	377.06	6.61	-59.64
O=C([O-])C1(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)COC1	REAL300012677962	1	48	0.0	-68.86	377.41	6.59	-62.27
CC(C)C(C)(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677963	1	55	0.0	-66.90	404.54	9.83	-57.07
CC(C)C(C)(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677963	1	55	0.0	-77.64	404.51	9.05	-68.59
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677964	1	51	0.0	-76.87	390.90	11.90	-64.97
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677964	1	51	0.0	-77.50	390.03	11.87	-65.63
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677965	1	54	0.0	-73.49	407.46	11.50	-61.99
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677965	1	54	0.0	-85.34	405.71	10.67	-74.67
CCC(C(=O)[O-])N(CC)C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677966	1	55	0.0	-65.66	410.09	11.62	-54.04
CCC(C(=O)[O-])N(CC)C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677966	1	55	0.0	-66.89	402.34	10.82	-56.07
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677967	1	50	0.0	-81.88	388.81	10.01	-71.87
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677967	1	50	0.0	-76.45	388.87	10.00	-66.45
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677968	1	52	0.0	-51.62	400.83	11.43	-40.19
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677968	1	52	0.0	-51.16	399.10	11.63	-39.53
CC1(C)CCN(C(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300012677969	1	56	0.0	-77.24	416.63	11.69	-65.55
CC1(C)CCN(C(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)C1C(=O)[O-]	REAL300012677969	1	56	0.0	-78.43	420.37	11.39	-67.04
CC(C)CCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677970	1	58	0.0	-71.36	446.05	10.89	-60.47
CC(C)CCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677970	1	58	0.0	-77.94	444.21	10.06	-67.88
O=C([O-])C1(NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CCC2CC21	REAL300012677971	1	54	0.0	-72.29	408.09	10.79	-61.50
O=C([O-])C1(NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CCC2CC21	REAL300012677971	1	54	0.0	-80.92	407.23	9.73	-71.19
O=C([O-])C(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012677972	1	56	0.0	-67.07	421.61	10.39	-56.68
O=C([O-])C(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1CCCC1	REAL300012677972	1	56	0.0	-77.62	424.67	9.64	-67.98
CO[C@H](C)[C@H](NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677973	1	53	0.0	-71.82	415.35	8.13	-63.69
CO[C@H](C)[C@H](NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677973	1	53	0.0	-72.65	413.15	7.19	-65.46
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677974	1	53	0.0	-70.60	401.39	10.07	-60.53
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677974	1	53	0.0	-69.62	392.07	9.27	-60.35
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300012677975	1	56	0.0	-51.54	424.74	11.44	-40.10
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)C1	REAL300012677975	1	56	0.0	-38.82	413.51	10.57	-28.25
O=C([O-])C1N(C(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CCC1(F)F	REAL300012677976	1	50	0.0	-77.81	396.80	10.56	-67.25
O=C([O-])C1N(C(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CCC1(F)F	REAL300012677976	1	50	0.0	-77.30	395.88	10.88	-66.42
COCCCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677977	1	56	0.0	-69.67	440.41	8.73	-60.94
COCCCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677977	1	56	0.0	-70.80	438.08	7.85	-62.95
CCCC(C(=O)[O-])N(C)C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677978	1	55	0.0	-68.11	417.95	11.63	-56.48
CCCC(C(=O)[O-])N(C)C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677978	1	55	0.0	-74.22	416.11	10.80	-63.42
CCOCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677979	1	53	0.0	-72.23	419.06	8.09	-64.14
CCOCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677979	1	53	0.0	-74.70	417.35	7.22	-67.48
CC(C)(C)CC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677980	1	58	0.0	-71.54	436.09	11.25	-60.29
CC(C)(C)CC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677980	1	58	0.0	-78.57	433.80	10.34	-68.23
C[C@H]1OCCN(C(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)[C@@H]1C(=O)[O-]	REAL300012677981	1	54	0.0	-74.40	406.26	10.06	-64.34
C[C@H]1OCCN(C(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)[C@@H]1C(=O)[O-]	REAL300012677981	1	54	0.0	-82.77	404.92	9.47	-73.30
N#CCCC(NC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677982	1	50	0.0	-73.65	406.23	9.32	-64.33
N#CCCC(NC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012677982	1	50	0.0	-80.05	404.49	8.50	-71.55
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300012677983	1	49	0.0	-65.42	376.00	9.79	-55.63
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300012677983	1	49	0.0	-73.66	374.66	9.06	-64.60
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCOC3(CCC3)C2)CC1	REAL300012678112	0	58	0.0	-57.93	424.03	6.33	-51.60
CC1=NC=CN=C1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012678357	0	54	0.0	-60.94	414.44	4.76	-56.18
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCSC2)CC1	REAL300012678599	0	54	0.0	-63.35	413.31	7.55	-55.80
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCOC3(CCOCC3)C2)CC1	REAL300012679907	0	62	0.0	-62.33	450.23	5.46	-56.87
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C3OCOC3=C2)CC1	REAL300012681102	0	53	0.0	-63.83	417.25	6.07	-57.76
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC=N2)CC1	REAL300012681309	0	49	0.0	-68.32	386.14	5.57	-62.75
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=NC=C2)CC1	REAL300012681464	0	49	0.0	-63.54	386.05	5.64	-57.90
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CN=C2)CC1	REAL300012681619	0	49	0.0	-62.84	386.01	5.63	-57.21
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCN2C=CN=C2)CC1	REAL300012681802	0	53	0.0	-62.81	409.44	7.52	-55.29
CC(C)C[C@H](NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012681902	1	48	0.0	-76.64	367.93	4.73	-71.91
C=CCOCC(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012681903	1	47	0.0	-77.70	375.86	3.20	-74.50
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1CCOCC1	REAL300012681904	1	50	0.0	-79.75	373.73	3.19	-76.56
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1=CC=C(F)C(F)=C1	REAL300012681905	1	46	0.0	-71.31	377.88	5.67	-65.64
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1=CC=C(Cl)C(F)=C1	REAL300012681906	1	46	0.0	-71.24	387.77	6.12	-65.12
COC1CCN(C(=O)NCCC[NH+]2CCOCC2)C(C(=O)[O-])C1	REAL300012681907	1	50	0.0	-85.98	371.31	5.35	-80.63
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1CCCOC1	REAL300012681908	1	50	0.0	-75.28	373.71	3.21	-72.07
CC1CCN(C(=O)NCCC[NH+]2CCOCC2)C(C(=O)[O-])C1	REAL300012681909	1	49	0.0	-85.05	359.84	6.91	-78.14
CC1=CC(C(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])=CC=C1F	REAL300012681910	1	49	0.0	-74.14	391.88	6.25	-67.89
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1=CC=C2OCCC2=C1	REAL300012681911	1	51	0.0	-77.16	401.06	5.39	-71.77
CC1=CC(C(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])=CC(C)=C1	REAL300012681912	1	52	0.0	-77.85	408.00	6.88	-70.97
CC1=CC=C(C(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])C=C1C	REAL300012681913	1	52	0.0	-78.23	403.57	6.75	-71.48
COC1=CC=C(C(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])C=C1Cl	REAL300012681914	1	50	0.0	-77.20	410.92	5.32	-71.88
CC1=CC=CC(C(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])=C1C	REAL300012681915	1	52	0.0	-77.09	396.24	6.61	-70.48
COC1=CC=C(C(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])C=C1F	REAL300012681916	1	50	0.0	-77.64	400.87	4.91	-72.73
CC(C(=O)[O-])N(C(=O)NCCC[NH+]1CCOCC1)C1CCC1	REAL300012681917	1	49	0.0	-63.58	361.71	6.37	-57.21
CCCN(C(=O)NCCC[NH+]1CCOCC1)C(COC)C(=O)[O-]	REAL300012681918	1	52	0.0	-79.06	390.65	6.95	-72.11
CCCN(C(=O)NCCC[NH+]1CCOCC1)C(CC)C(=O)[O-]	REAL300012681919	1	51	0.0	-77.79	376.74	7.58	-70.21
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1=CC=C(Cl)C=C1	REAL300012681920	1	46	0.0	-74.20	382.10	5.99	-68.21
O=C([O-])C1CSCCN1C(=O)NCCC[NH+]1CCOCC1	REAL300012681921	1	44	0.0	-83.35	339.15	6.43	-76.92
O=C([O-])C1(NC(=O)NCCC[NH+]2CCOCC2)CCCCC1	REAL300012681922	1	49	0.0	-79.83	358.76	5.61	-74.22
O=C([O-])C1(NC(=O)NCCC[NH+]2CCOCC2)CCCCCC1	REAL300012681923	1	52	0.0	-80.20	364.42	6.28	-73.92
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012681924	1	49	0.0	-77.81	387.67	6.41	-71.40
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CCOCC1	REAL300012681925	1	49	0.0	-62.02	386.16	8.22	-53.80
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CCC(CC)(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012681984	1	48	0.0	-76.58	349.76	4.67	-71.91
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CCC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCOCC1	REAL300012681986	1	48	0.0	-59.67	360.48	6.66	-53.01
CCC(COC)(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012681987	1	49	0.0	-81.52	368.30	3.97	-77.55
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCOCC1	REAL300012681988	1	52	0.0	-74.05	391.28	5.64	-68.41
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COCCC(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012681990	1	46	0.0	-76.50	362.91	2.46	-74.04
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCOCC1	REAL300012681991	1	51	0.0	-74.69	378.47	6.82	-67.87
O=C([O-])C(CC(F)F)NC(=O)NCCC[NH+]1CCOCC1	REAL300012681992	1	42	0.0	-75.19	340.75	3.70	-71.49
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCOCC1	REAL300012681993	1	52	0.0	-84.91	379.77	7.81	-77.10
CCCN(C(=O)NCCC[NH+]1CCOCC1)C(C)C(=O)[O-]	REAL300012681994	1	48	0.0	-72.82	358.90	6.05	-66.77
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CCOCC1	REAL300012681995	1	52	0.0	-54.76	396.87	9.32	-45.44
CCC(NC(=O)NCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012681996	1	52	0.0	-75.54	406.83	7.65	-67.89
CCC(NC(=O)NCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012681997	1	52	0.0	-78.49	390.17	7.15	-71.34
COC1CCCC(C(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])C1	REAL300012681998	1	56	0.0	-81.05	414.76	4.68	-76.37
COC1(CC(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])CCC1	REAL300012681999	1	53	0.0	-78.31	400.98	4.40	-73.91
O=C([O-])CN(C(=O)NCCC[NH+]1CCOCC1)C1CCOCC1	REAL300012682000	1	50	0.0	-61.28	371.95	5.11	-56.17
O=C([O-])CN(C(=O)NCCC[NH+]1CCOCC1)C1CCCCC1	REAL300012682001	1	52	0.0	-61.19	380.89	7.49	-53.70
C[C@H]1CC[C@@](NC(=O)NCCC[NH+]2CCOCC2)(C(=O)[O-])CC1	REAL300012682002	1	52	0.0	-79.76	372.03	5.96	-73.80
COC1=CC=CC(C(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300012682003	1	50	0.0	-80.08	394.87	4.76	-75.32
CC(CCF)(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682004	1	45	0.0	-72.78	339.97	3.92	-68.86
O=C([O-])C1C2=C(CCN1C(=O)NCCC[NH+]1CCOCC1)OC=C2	REAL300012682005	1	47	0.0	-66.68	362.74	6.08	-60.60
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682006	1	43	0.0	-76.15	341.74	5.16	-70.99
COC1=CC=CC([C@H](NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300012682007	1	50	0.0	-80.08	394.87	4.76	-75.32
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC[NH+]2CCOCC2)C1	REAL300012682008	1	52	0.0	-84.47	394.03	7.18	-77.29
COC1=CC=CC(CC(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300012682009	1	53	0.0	-76.38	416.88	5.78	-70.60
CC1(C)CCCC(NC(=O)NCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300012682010	1	55	0.0	-80.77	386.66	6.48	-74.29
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682011	1	52	0.0	-74.89	407.53	7.12	-67.77
CC(NC(=O)NCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012682012	1	51	0.0	-73.44	401.41	6.92	-66.52
COC1CN(C(=O)NCCC[NH+]2CCOCC2)C(C)(C(=O)[O-])C1	REAL300012682013	1	50	0.0	-82.11	378.39	4.84	-77.27
O=C([O-])C(CC1CCCOC1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682014	1	53	0.0	-75.41	400.39	4.29	-71.12
CC(C)(C)[C@H](NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682015	1	48	0.0	-77.49	360.03	4.51	-72.98
C=C(Cl)CC(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682016	1	43	0.0	-76.23	357.67	4.48	-71.75
O=C([O-])C12CCC(CC1)N2C(=O)NCCC[NH+]1CCOCC1	REAL300012682017	1	47	0.0	-89.91	349.78	6.76	-83.15
CC(CC1=CC=C(F)C=C1)(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682018	1	52	0.0	-75.60	397.21	6.67	-68.93
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682019	1	43	0.0	-76.19	340.43	5.44	-70.75
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682020	1	43	0.0	-80.02	334.50	5.40	-74.62
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CC(C)C[C@H](NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682022	1	48	0.0	-76.64	367.93	4.73	-71.91
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1CCOCC1	REAL300012682023	1	50	0.0	-79.75	373.73	3.19	-76.56
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1=CC=CC=C1	REAL300012682024	1	46	0.0	-77.84	365.37	5.47	-72.37
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012682025	1	49	0.0	-76.18	403.87	6.54	-69.64
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CC(C)CCCC(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682027	1	54	0.0	-75.53	410.47	6.26	-69.27
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682028	1	52	0.0	-79.96	416.90	6.94	-73.02
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CSCC(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682030	1	43	0.0	-72.93	352.03	3.85	-69.08
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O=C([O-])C1CSCCN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682036	1	44	0.0	-83.35	339.15	6.43	-76.92
CC(NC(=O)NCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012682037	1	49	0.0	-77.98	373.19	6.24	-71.74
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CCN(C(=O)NCCC[NH+]1CCOCC1)C(C)(C)C(=O)[O-]	REAL300012682039	1	48	0.0	-78.78	353.97	6.19	-72.59
CCCN(C(=O)NCCC[NH+]1CCOCC1)C(C)C(=O)[O-]	REAL300012682040	1	48	0.0	-72.82	358.90	6.05	-66.77
O=C([O-])CN(CC(F)(F)F)C(=O)NCCC[NH+]1CCOCC1	REAL300012682041	1	42	0.0	-71.51	341.79	5.72	-65.79
O=C([O-])CN(CC(F)(F)F)C(=O)NCCC[NH+]1CCOCC1	REAL300012682042	1	42	0.0	-71.51	341.79	5.72	-65.79
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O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682044	1	44	0.0	-84.47	340.02	1.61	-82.86
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCN2CCOCC2)CC1	REAL300012682045	0	59	0.0	-59.54	435.89	3.42	-56.12
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC[NH+]1CCOCC1	REAL300012682046	1	50	0.0	-58.63	383.78	8.24	-50.39
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCC[NH+]2CCOCC2)[C@H]1C(=O)[O-]	REAL300012682047	1	53	0.0	-67.31	391.88	8.45	-58.86
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682048	1	51	0.0	-75.88	385.19	6.62	-69.26
O=C([O-])[C@H](NC(=O)NCCC[NH+]1CCOCC1)C1=CC=CC=C1	REAL300012682049	1	46	0.0	-77.54	365.42	5.47	-72.07
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300012682050	1	49	0.0	-73.29	404.14	6.48	-66.81
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682051	1	51	0.0	-77.95	405.53	5.42	-72.53
O=C([O-])C(CC1=NC=CS1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682052	1	45	0.0	-78.77	373.95	3.48	-75.29
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682053	1	46	0.0	-72.16	392.87	5.24	-66.92
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682054	1	46	0.0	-92.52	358.50	2.86	-89.66
CN1CC(C(=O)[O-])N(C(=O)NCCC[NH+]2CCOCC2)CC1=O	REAL300012682055	1	47	0.0	-77.29	356.26	4.57	-72.72
O=C([O-])[C@@H](NC(=O)NCCC[NH+]1CCOCC1)C1=CC=CC=C1	REAL300012682056	1	46	0.0	-77.07	364.76	5.50	-71.57
CC(CN1C=CC=N1)(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682057	1	49	0.0	-78.88	374.85	4.79	-74.09
O=C([O-])CN(C(=O)NCCC[NH+]1CCOCC1)C1CCCC1	REAL300012682058	1	49	0.0	-60.64	363.52	6.77	-53.87
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682059	1	48	0.0	-77.24	360.48	4.36	-72.88
O=C([O-])C1(NC(=O)NCCC[NH+]2CCOCC2)CC(CO)C1	REAL300012682060	1	47	0.0	-80.55	362.63	1.39	-79.16
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682061	1	55	0.0	-78.66	412.71	4.71	-73.95
CC1CCC(NC(=O)NCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300012682062	1	49	0.0	-79.68	365.30	5.13	-74.55
CC1(C)CCCC1(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682063	1	52	0.0	-80.38	373.18	5.75	-74.63
COCCC(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682064	1	46	0.0	-76.50	362.91	2.46	-74.04
CN(C(=O)NCCC[NH+]1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012682065	1	52	0.0	-75.41	396.74	8.44	-66.97
CC1(C)CC(NC(=O)NCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300012682066	1	49	0.0	-81.46	366.57	5.80	-75.66
CC1CCC(NC(=O)NCCC[NH+]2CCOCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012682067	1	56	0.0	-82.68	414.38	7.84	-74.84
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682068	1	55	0.0	-78.09	413.57	4.62	-73.47
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682069	1	44	0.0	-89.08	340.01	1.78	-87.30
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682070	1	54	0.0	-65.74	407.58	9.04	-56.70
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1CCOC1	REAL300012682071	1	47	0.0	-73.93	361.96	2.54	-71.39
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCCC[NH+]1CCOCC1	REAL300012682072	1	47	0.0	-86.49	349.95	6.44	-80.05
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1=CNC2=CC=CC=C12	REAL300012682073	1	50	0.0	-84.61	397.08	5.61	-79.00
O=C([O-])C12COC(CN1C(=O)NCCC[NH+]1CCOCC1)C2	REAL300012682074	1	45	0.0	-83.46	342.63	4.12	-79.34
CC1CCC(C(=O)[O-])N(C(=O)NCCC[NH+]2CCOCC2)C1	REAL300012682075	1	49	0.0	-85.61	360.17	7.16	-78.45
CC(C1=CC=CC=C1)C(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682076	1	52	0.0	-77.37	404.40	6.83	-70.54
O=C([O-])C(CC1CC=CCC1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682077	1	53	0.0	-76.13	397.48	7.19	-68.94
CC1(C)CC(NC(=O)NCCC[NH+]2CCOCC2)(C(=O)[O-])CC(C)(C)O1	REAL300012682078	1	59	0.0	-78.33	422.64	6.17	-72.16
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1CCCCC1	REAL300012682079	1	52	0.0	-77.23	382.30	5.69	-71.54
O=C([O-])C(CC1CCCCO1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682080	1	53	0.0	-79.39	402.62	4.58	-74.81
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCC[NH+]1CCOCC1	REAL300012682081	1	53	0.0	-52.42	379.13	7.22	-45.20
CC1(C)CC(NC(=O)NCCC[NH+]2CCOCC2)(C(=O)[O-])CCO1	REAL300012682082	1	53	0.0	-79.79	379.28	4.41	-75.38
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682083	1	52	0.0	-78.40	425.85	7.67	-70.73
CC1=CC=CC2=C1CCN(C(=O)NCCC[NH+]1CCOCC1)C2C(=O)[O-]	REAL300012682084	1	53	0.0	-91.28	393.36	8.93	-82.35
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCCC[NH+]1CCOCC1	REAL300012682085	1	47	0.0	-57.92	350.50	6.29	-51.63
O=C([O-])C(CC1CC=CCC1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682086	1	53	0.0	-76.13	397.48	7.19	-68.94
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682087	1	49	0.0	-79.34	394.08	6.48	-72.86
COC1CC(NC(=O)NCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300012682088	1	47	0.0	-82.82	363.82	3.08	-79.74
O=C([O-])C1(NC(=O)NCCC[NH+]2CCOCC2)CC(F)(F)C1	REAL300012682089	1	43	0.0	-78.61	338.79	4.13	-74.48
CO[C@H]1C[C@](NC(=O)NCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300012682090	1	47	0.0	-78.20	362.65	3.35	-74.85
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1(C(F)(F)F)CC1	REAL300012682091	1	46	0.0	-78.01	367.21	5.17	-72.84
CCC1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682092	1	49	0.0	-84.42	358.38	7.08	-77.34
O=C([O-])C(CC(F)(F)F)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682093	1	42	0.0	-70.72	345.17	4.09	-66.63
O=C([O-])C(CC1CCOC1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682094	1	50	0.0	-78.46	383.05	3.41	-75.05
O=C([O-])C(CC1=CC=CS1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682095	1	46	0.0	-77.56	379.54	5.47	-72.09
COCC(NC(=O)NCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012682096	1	53	0.0	-76.82	406.38	5.47	-71.35
CC(C)C(C)(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682097	1	48	0.0	-76.35	348.30	4.40	-71.95
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682098	1	47	0.0	-84.62	351.43	5.86	-78.76
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CCOCC1	REAL300012682099	1	52	0.0	-54.76	396.87	9.32	-45.44
O=C([O-])C(CC1CCCCC1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682100	1	55	0.0	-76.96	409.62	6.60	-70.36
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682101	1	52	0.0	-76.68	409.81	7.21	-69.47
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682102	1	52	0.0	-76.66	410.40	7.25	-69.41
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1CC2CCC1C2	REAL300012682103	1	53	0.0	-77.01	389.68	6.07	-70.94
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682104	1	55	0.0	-76.73	409.59	6.60	-70.13
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682105	1	55	0.0	-76.97	409.57	6.60	-70.37
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682106	1	53	0.0	-57.87	390.66	7.23	-50.64
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682107	1	53	0.0	-84.46	385.47	7.08	-77.38
COC1=CC=C(CC(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012682108	1	53	0.0	-78.27	416.92	5.77	-72.50
C=CCSCC(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682109	1	47	0.0	-73.76	386.98	5.27	-68.49
N#CC1=CC=C(CC(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012682110	1	50	0.0	-76.88	408.48	6.80	-70.08
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682111	1	53	0.0	-82.13	419.74	6.63	-75.50
CCC(C(=O)[O-])N(CC)C(=O)NCCC[NH+]1CCOCC1	REAL300012682112	1	48	0.0	-78.08	355.24	6.85	-71.23
COC1(C(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])CCC1	REAL300012682113	1	50	0.0	-73.41	376.18	3.03	-70.38
O=C([O-])C1(NC(=O)NCCC[NH+]2CCOCC2)CCC(C(F)F)CC1	REAL300012682114	1	52	0.0	-80.41	391.16	6.44	-73.97
O=C([O-])C1(NC(=O)NCCC[NH+]2CCOCC2)CCC2=CC=CC=C2C1	REAL300012682115	1	53	0.0	-80.33	396.68	7.53	-72.80
O=C([O-])C1(NC(=O)NCCC[NH+]2CCOCC2)CC(C(F)F)C1	REAL300012682116	1	46	0.0	-76.22	364.32	5.00	-71.22
CC(C)(C)C1=CC=C(C(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012682118	1	58	0.0	-77.39	441.58	7.79	-69.60
CC(C)C1=CC=C(C(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012682119	1	55	0.0	-76.93	425.38	7.49	-69.44
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682120	1	43	0.0	-80.02	334.50	5.40	-74.62
O=C([O-])C1C2C=CC(C2)N1C(=O)NCCC[NH+]1CCOCC1	REAL300012682121	1	45	0.0	-57.25	343.36	6.19	-51.06
CC1(C)CCN(C(=O)NCCC[NH+]2CCOCC2)C1C(=O)[O-]	REAL300012682122	1	49	0.0	-84.03	364.14	5.96	-78.07
CCOC1=CC=C(C(NC(=O)NCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012682123	1	53	0.0	-76.87	416.50	5.76	-71.11
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682124	1	53	0.0	-84.77	384.52	7.98	-76.79
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1CCC2=CC=CC=C21	REAL300012682125	1	53	0.0	-77.19	407.75	7.53	-69.66
CC(COC1=CC=CC=C1)(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682126	1	53	0.0	-81.75	407.83	6.52	-75.23
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682127	1	49	0.0	-80.48	401.63	6.40	-74.08
CC(C)CCC(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682128	1	51	0.0	-76.39	389.80	5.46	-70.93
O=C([O-])C1CC2(CCC2)CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682129	1	50	0.0	-57.36	374.88	6.79	-50.57
O=C([O-])C(CC1CCOC1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682130	1	50	0.0	-78.46	383.05	3.41	-75.05
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CCOCC2)C1	REAL300012682131	1	47	0.0	-80.42	371.28	6.50	-73.92
O=C([O-])C1(NC(=O)NCCC[NH+]2CCOCC2)CCCC2CC21	REAL300012682132	1	50	0.0	-79.07	367.31	5.99	-73.08
O=C([O-])C1(NC(=O)NCCC[NH+]2CCOCC2)CCC2CC21	REAL300012682133	1	47	0.0	-81.45	351.73	5.35	-76.10
O=C([O-])C1(NC(=O)NCCC[NH+]2CCOCC2)CC2(CCC2)C1	REAL300012682134	1	50	0.0	-79.66	372.89	5.75	-73.91
CN(C(=O)NCCC[NH+]1CCOCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012682135	1	52	0.0	-75.41	396.74	8.44	-66.97
O=C([O-])C1CC2(CN1C(=O)NCCC[NH+]1CCOCC1)CCCCC2	REAL300012682136	1	56	0.0	-58.58	406.41	7.70	-50.88
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1CCCC1	REAL300012682137	1	49	0.0	-76.81	365.57	4.95	-71.86
CO[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682138	1	46	0.0	-76.94	358.75	2.64	-74.30
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CCOCC1	REAL300012682139	1	49	0.0	-62.02	386.16	8.22	-53.80
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012682140	1	56	0.0	-77.69	439.34	8.95	-68.74
CC1(C)CC(C(=O)[O-])N(C(=O)NCCC[NH+]2CCOCC2)C1	REAL300012682141	1	49	0.0	-57.51	367.82	6.11	-51.40
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682142	1	50	0.0	-60.94	391.86	7.99	-52.95
O=C([O-])C1CC(F)(F)CCN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682143	1	46	0.0	-82.80	350.20	6.46	-76.34
O=C([O-])C1N(C(=O)NCCC[NH+]2CCOCC2)CCC1(F)F	REAL300012682144	1	43	0.0	-85.96	339.65	5.44	-80.52
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682145	1	49	0.0	-79.34	394.08	6.48	-72.86
O=C([O-])C(CC1=CSC=C1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682146	1	46	0.0	-76.21	378.50	5.34	-70.87
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682147	1	46	0.0	-75.34	357.18	5.98	-69.36
O=C([O-])C1(NC(=O)NCCC[NH+]2CCOCC2)CC2(CC(F)(F)C2)C1	REAL300012682148	1	50	0.0	-80.40	392.42	6.14	-74.26
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682149	1	54	0.0	-81.22	416.25	7.77	-73.45
O=C([O-])C(CC1=CSC=C1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682150	1	46	0.0	-76.21	378.50	5.34	-70.87
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682151	1	50	0.0	-85.06	366.44	6.68	-78.38
COCCCC(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682152	1	49	0.0	-75.66	384.41	3.24	-72.42
CCCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCOCC1	REAL300012682153	1	48	0.0	-73.42	361.12	6.32	-67.10
CCOCC(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682154	1	46	0.0	-78.07	362.95	2.62	-75.45
CC(C)(C)CC(NC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300012682155	1	51	0.0	-76.22	379.83	5.85	-70.37
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C1CCCCO1	REAL300012682156	1	50	0.0	-79.29	380.48	3.96	-75.33
O=C([O-])C1(NC(=O)NCCC[NH+]2CCOCC2)CC2=CC=CC=C2C1	REAL300012682157	1	50	0.0	-78.57	383.35	6.65	-71.92
C[C@H]1OCCN(C(=O)NCCC[NH+]2CCOCC2)[C@@H]1C(=O)[O-]	REAL300012682158	1	47	0.0	-82.67	350.01	4.56	-78.11
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682159	1	49	0.0	-77.80	370.80	6.28	-71.52
O=C([O-])C(NC(=O)NCCC[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300012682160	1	60	0.0	-81.38	421.79	7.50	-73.88
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682161	1	52	0.0	-78.75	412.74	6.82	-71.93
O=C([O-])CN(CC1=CC=CO1)C(=O)NCCC[NH+]1CCOCC1	REAL300012682162	1	46	0.0	-63.31	362.23	6.11	-57.20
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCCC[NH+]1CCOCC1	REAL300012682163	1	57	0.0	-84.12	401.31	6.89	-77.23
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCCC[NH+]1CCOCC1	REAL300012682164	1	48	0.0	-77.14	399.25	5.13	-72.01
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CCOCC2)C1	REAL300012682165	1	50	0.0	-83.20	383.84	4.97	-78.23
CC(C)C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682166	0	53	0.0	-74.18	387.46	5.84	-68.34
C=CCOCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682167	0	52	0.0	-76.59	395.55	4.26	-72.33
C=CC(C)C(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682168	0	51	0.0	-73.47	380.47	5.61	-67.86
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC(C)(C)[NH2+]1	REAL300012682169	0	55	0.0	-77.08	392.86	4.32	-72.76
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC(C)(C)[NH2+]1	REAL300012682170	0	51	0.0	-69.41	397.19	6.70	-62.71
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC(C)(C)[NH2+]1	REAL300012682171	0	51	0.0	-69.31	407.08	7.14	-62.17
COC1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(C(=O)[O-])C1	REAL300012682172	0	55	0.0	-83.17	389.49	6.46	-76.71
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC(C)(C)[NH2+]1	REAL300012682173	0	55	0.0	-72.23	393.42	4.28	-67.95
CC1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(C(=O)[O-])C1	REAL300012682174	0	54	0.0	-81.90	372.94	7.72	-74.18
CC1=CC(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])=CC=C1F	REAL300012682175	0	54	0.0	-71.95	411.59	7.32	-64.63
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC(C)(C)[NH2+]1	REAL300012682176	0	56	0.0	-74.72	421.01	6.39	-68.33
CC1=CC(C)=CC(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])=C1	REAL300012682177	0	57	0.0	-76.06	427.29	7.92	-68.14
CC1=CC=C(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])C=C1C	REAL300012682178	0	57	0.0	-75.16	423.30	7.82	-67.34
COC1=CC=C(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])C=C1Cl	REAL300012682179	0	55	0.0	-72.64	430.01	6.43	-66.21
CC1=CC=CC(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])=C1C	REAL300012682180	0	57	0.0	-74.92	417.95	7.67	-67.25
COC1=CC=C(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])C=C1F	REAL300012682181	0	55	0.0	-73.59	420.80	5.91	-67.68
CC(C(=O)[O-])N(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CCC1	REAL300012682182	0	54	0.0	-52.05	375.92	8.32	-43.73
CCCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(COC)C(=O)[O-]	REAL300012682183	0	57	0.0	-73.10	406.87	6.69	-66.41
CCCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(CC)C(=O)[O-]	REAL300012682184	0	56	0.0	-71.14	394.64	7.89	-63.25
CC1(C)CC(NC(=O)N2CCCCC2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682185	0	51	0.0	-83.30	359.31	7.66	-75.64
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC(C)(C)[NH2+]1	REAL300012682186	0	51	0.0	-70.58	401.61	7.14	-63.44
CC1(C)CC(NC(=O)N2CCSCC2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682187	0	49	0.0	-81.20	359.46	7.64	-73.56
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC(C)(C)[NH2+]1	REAL300012682188	0	54	0.0	-77.66	378.47	6.66	-71.00
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCC2)CC(C)(C)[NH2+]1	REAL300012682189	0	51	0.0	-77.61	363.94	5.56	-72.05
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC(C)(C)[NH2+]1	REAL300012682190	0	57	0.0	-78.23	384.13	7.33	-70.90
CC1(C)CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682191	0	54	0.0	-74.63	407.31	7.47	-67.16
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC(C)(C)[NH2+]1	REAL300012682192	0	54	0.0	-59.94	405.87	9.28	-50.66
CC1(C)CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC(C)(C)[NH2+]1	REAL300012682193	0	51	0.0	-74.17	384.88	6.61	-67.56
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC(C)(C)[NH2+]1	REAL300012682194	0	51	0.0	-74.74	385.12	6.54	-68.20
CC1(C)CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682195	0	54	0.0	-74.63	407.31	7.47	-67.16
CCC(C)C(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682196	0	53	0.0	-74.51	378.88	5.49	-69.02
CC1(C)CC(NC(=O)N2CCCCC2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682197	0	51	0.0	-83.30	359.31	7.66	-75.64
CCCC(C)(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682198	0	53	0.0	-72.65	374.57	5.59	-67.06
CC(C)CN(CC(=O)[O-])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682199	0	53	0.0	-59.15	382.73	7.33	-51.82
CC1(C)CC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682200	0	55	0.0	-83.34	397.27	9.63	-73.71
CC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)(C(=O)[O-])C1CC1	REAL300012682201	0	51	0.0	-74.82	362.51	5.61	-69.21
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC(C)(C)[NH2+]1	REAL300012682202	0	48	0.0	-73.71	376.74	5.63	-68.08
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC(C)(C)[NH2+]1	REAL300012682203	0	54	0.0	-77.66	378.47	6.66	-71.00
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC(C)(C)[NH2+]1	REAL300012682204	0	54	0.0	-57.52	422.56	9.80	-47.72
CC1(C)CC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682205	0	58	0.0	-77.10	436.43	7.54	-69.56
CC[C@H](C)[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682206	0	53	0.0	-74.06	378.52	5.40	-68.66
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCC2)CC(C)(C)[NH2+]1	REAL300012682207	0	51	0.0	-77.61	363.94	5.56	-72.05
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC(C)(C)[NH2+]1	REAL300012682208	0	54	0.0	-57.73	412.23	9.35	-48.38
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC(C)(C)[NH2+]1	REAL300012682209	0	55	0.0	-76.61	404.45	7.83	-68.78
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC(C)(C)[NH2+]1	REAL300012682210	0	51	0.0	-75.17	395.67	6.76	-68.41
CC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012682211	0	54	0.0	-75.81	392.89	7.32	-68.49
CCCCCCC(C)(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682212	0	62	0.0	-72.77	439.07	7.92	-64.85
CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012682213	0	57	0.0	-72.72	417.90	9.44	-63.28
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC(C)(C)[NH2+]1	REAL300012682214	0	51	0.0	-70.58	401.61	7.14	-63.44
CC1(C)CC(NC(=O)N2CCOCC2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682215	0	49	0.0	-79.93	350.13	5.08	-74.85
CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1(C(=O)[O-])CCCCC1	REAL300012682216	0	57	0.0	-77.66	387.73	7.98	-69.68
CC1(C)CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682217	0	57	0.0	-60.79	428.27	10.05	-50.74
CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012682218	0	54	0.0	-72.35	392.75	8.19	-64.16
COCCN(CC(=O)[O-])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682219	0	51	0.0	-60.58	378.24	5.45	-55.13
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC(C)(C)[NH2+]1	REAL300012682220	0	55	0.0	-79.26	399.78	7.61	-71.65
CC1(C)CC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682221	0	51	0.0	-82.50	358.66	7.43	-75.07
CC1(C(=O)[O-])CCCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682222	0	51	0.0	-80.01	364.77	6.92	-73.09
CC1(C)CC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682223	0	58	0.0	-81.11	441.28	7.42	-73.69
CC1(C)CC(NC(=O)N2CCCCCC2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682224	0	54	0.0	-78.70	373.95	8.24	-70.46
CCCCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682225	0	53	0.0	-73.74	391.69	6.07	-67.67
CC1(C)CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682226	0	57	0.0	-60.79	428.27	10.05	-50.74
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682227	0	51	0.0	-79.95	364.80	6.89	-73.06
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC(C)(C)[NH2+]1	REAL300012682228	0	54	0.0	-59.15	384.19	7.92	-51.23
COCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682229	0	48	0.0	-75.76	360.79	2.71	-73.05
CCCCCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682230	0	56	0.0	-73.75	413.19	6.85	-66.90
CCC1CCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)(C(=O)[O-])CC1	REAL300012682231	0	60	0.0	-75.97	417.54	7.91	-68.06
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC(C)(C)[NH2+]1	REAL300012682232	0	55	0.0	-59.14	391.64	6.16	-52.98
CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1(C(=O)[O-])CCCC1	REAL300012682233	0	54	0.0	-79.44	375.91	7.49	-71.95
CC(C(=O)[O-])N(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1	REAL300012682234	0	51	0.0	-64.06	365.25	6.99	-57.07
CCC(C(=O)[O-])N(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1	REAL300012682235	0	54	0.0	-62.11	385.93	7.87	-54.24
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC(C)(C)[NH2+]1	REAL300012682236	0	51	0.0	-77.07	396.99	6.96	-70.11
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC(C)(C)[NH2+]1	REAL300012682237	0	51	0.0	-81.13	389.53	6.63	-74.50
CC1(C)CC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682238	0	55	0.0	-62.63	399.97	8.98	-53.65
CC1(C)CC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682239	0	54	0.0	-78.89	422.09	7.72	-71.17
CC1(C)CC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682240	0	60	0.0	-79.05	450.74	9.55	-69.50
CC1(C)CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682241	0	60	0.0	-73.66	429.27	7.67	-65.99
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682242	0	57	0.0	-62.50	417.37	10.06	-52.44
CC1=CC=C(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])C=C1	REAL300012682243	0	54	0.0	-74.70	406.49	7.22	-67.48
CC1(C)CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682244	0	47	0.0	-68.43	364.87	5.16	-63.27
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC(C)(C)[NH2+]1	REAL300012682245	0	57	0.0	-76.14	431.06	8.81	-67.33
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC(C)(C)[NH2+]1	REAL300012682246	0	52	0.0	-72.34	376.17	6.37	-65.97
COCC(C)(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682247	0	51	0.0	-76.69	371.32	4.12	-72.57
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682248	0	54	0.0	-71.77	391.57	5.96	-65.81
CC(C)CN(CC(=O)[O-])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682249	0	53	0.0	-59.15	382.73	7.33	-51.82
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682250	0	60	0.0	-56.29	428.48	9.90	-46.39
CC1(C)CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682251	0	50	0.0	-59.24	386.50	7.41	-51.83
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCOC2)CC(C)(C)[NH2+]1	REAL300012682252	0	49	0.0	-73.37	354.58	2.99	-70.38
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC(C)(C)[NH2+]1	REAL300012682253	0	57	0.0	-75.94	407.62	6.93	-69.01
CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(COC1CCC1)C(=O)[O-]	REAL300012682254	0	58	0.0	-70.70	418.57	7.27	-63.43
CC1(C)CC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC(C)(C)[NH2+]1	REAL300012682255	0	58	0.0	-81.75	423.10	10.59	-71.16
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC(C)(C)[NH2+]1	REAL300012682256	0	52	0.0	-76.74	369.88	4.18	-72.56
C=CCCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682257	0	51	0.0	-73.98	383.25	5.80	-68.18
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682258	0	57	0.0	-52.60	415.96	10.25	-42.35
CCC(CC)(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682259	0	53	0.0	-74.78	369.46	5.72	-69.06
COC1=CC=C(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])C=C1	REAL300012682260	0	55	0.0	-74.90	414.37	5.90	-69.00
CCC(C)N(CC(=O)[O-])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682261	0	53	0.0	-57.73	380.18	7.72	-50.01
CCC(COC)(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682262	0	54	0.0	-79.30	387.76	5.03	-74.27
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682263	0	57	0.0	-71.97	411.34	6.62	-65.35
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC(C)(C)[NH2+]1	REAL300012682264	0	54	0.0	-77.00	394.93	2.66	-74.34
CC1(C)CC(NC(=O)NC(CC2CC2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682265	0	51	0.0	-73.56	379.73	6.05	-67.51
COCCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682266	0	51	0.0	-74.34	382.61	3.53	-70.81
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682267	0	56	0.0	-72.12	398.35	8.11	-64.01
CC1(C)CC(NC(=O)NC(CC(F)F)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682268	0	47	0.0	-69.08	359.31	5.05	-64.03
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682269	0	57	0.0	-81.00	402.15	8.82	-72.18
CCCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(C)C(=O)[O-]	REAL300012682270	0	53	0.0	-54.11	379.31	7.87	-46.24
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682271	0	57	0.0	-55.97	417.11	10.22	-45.75
CCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012682272	0	57	0.0	-72.02	426.61	8.73	-63.29
CCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012682273	0	57	0.0	-76.51	409.80	8.18	-68.33
COC1CCCC(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])C1	REAL300012682274	0	61	0.0	-78.78	435.16	5.67	-73.11
CC1(C)CC(NC(=O)NC(CCF)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682275	0	47	0.0	-72.80	355.53	4.61	-68.19
COC1(CC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])CCC1	REAL300012682276	0	58	0.0	-75.35	420.68	5.47	-69.88
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC(C)(C)[NH2+]1	REAL300012682277	0	55	0.0	-59.14	391.64	6.16	-52.98
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC(C)(C)[NH2+]1	REAL300012682278	0	57	0.0	-59.35	400.60	8.55	-50.80
C[C@H]1CC[C@@](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)(C(=O)[O-])CC1	REAL300012682279	0	57	0.0	-77.95	392.27	7.05	-70.90
COC1=CC=CC(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])=C1	REAL300012682280	0	55	0.0	-77.38	414.38	5.90	-71.48
CC(CCF)(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682281	0	50	0.0	-69.34	359.67	4.97	-64.37
CC1(C)CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682282	0	52	0.0	-64.73	382.53	7.14	-57.59
CC1(C)CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682283	0	48	0.0	-73.84	362.57	6.11	-67.73
COC1=CC=CC([C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])=C1	REAL300012682284	0	55	0.0	-77.31	413.97	5.88	-71.43
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1	REAL300012682285	0	57	0.0	-79.76	413.51	7.98	-71.78
COC1=CC=CC(CC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])=C1	REAL300012682286	0	58	0.0	-74.58	436.58	6.84	-67.74
CC1(C)CCCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)(C(=O)[O-])C1	REAL300012682287	0	60	0.0	-78.61	406.39	7.55	-71.06
CC1(C)CC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC(C)(C)[NH2+]1	REAL300012682288	0	49	0.0	-84.64	355.00	6.99	-77.65
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682289	0	57	0.0	-71.57	427.23	8.18	-63.39
CC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012682290	0	56	0.0	-77.70	421.13	7.99	-69.71
COC1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(C)(C(=O)[O-])C1	REAL300012682291	0	55	0.0	-78.55	398.02	5.89	-72.66
CC1(C)CC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682292	0	58	0.0	-73.01	420.33	5.31	-67.70
CC(C)(C)[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682293	0	53	0.0	-74.14	378.11	5.62	-68.52
C=C(Cl)CC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682294	0	48	0.0	-69.94	377.16	5.65	-64.29
C=C(C)CC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682295	0	51	0.0	-74.75	382.07	5.78	-68.97
CC1(C)CC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC(C)(C)[NH2+]1	REAL300012682296	0	52	0.0	-84.02	367.51	7.80	-76.22
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682297	0	57	0.0	-72.18	416.91	7.73	-64.45
CC1(C)CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682298	0	48	0.0	-73.93	361.43	6.16	-67.77
CC1(C)CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682299	0	48	0.0	-79.16	356.40	6.04	-73.12
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1	REAL300012682300	0	49	0.0	-80.48	361.91	6.46	-74.02
CC1(C)CC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682301	0	58	0.0	-74.33	420.40	5.27	-69.06
CC(C)C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682302	0	53	0.0	-74.18	387.46	5.84	-68.34
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC(C)(C)[NH2+]1	REAL300012682303	0	55	0.0	-77.08	392.86	4.32	-72.76
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC(C)(C)[NH2+]1	REAL300012682304	0	51	0.0	-74.74	385.12	6.54	-68.20
CC1(C)CC(NC(=O)NC(CC2CC2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682305	0	51	0.0	-73.56	379.73	6.05	-67.51
CC1(C)CC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682306	0	50	0.0	-72.85	393.93	4.63	-68.22
CC(C)CCCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682307	0	59	0.0	-73.72	430.76	7.36	-66.36
CC1(C)CC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682308	0	57	0.0	-72.99	437.24	7.88	-65.11
CC1(C)CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682309	0	55	0.0	-78.62	405.13	4.85	-73.77
CSCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682310	0	48	0.0	-71.30	372.40	4.88	-66.42
COC[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682311	0	48	0.0	-75.63	360.68	2.74	-72.89
CC1(C)CC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682312	0	54	0.0	-71.94	413.50	7.60	-64.34
CCC(C)CC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682313	0	56	0.0	-74.55	405.87	6.43	-68.12
C=CCCCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682314	0	54	0.0	-74.16	404.74	6.58	-67.58
CC1(C)CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682315	0	54	0.0	-73.44	413.74	7.53	-65.91
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC(C)(C)[NH2+]1	REAL300012682316	0	57	0.0	-78.38	426.01	8.71	-69.67
CC1(C)CC(NC(=O)N2CCSCC2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682317	0	49	0.0	-81.20	359.46	7.64	-73.56
CC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012682318	0	54	0.0	-75.81	392.89	7.32	-68.49
CC1(C)CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682319	0	52	0.0	-85.00	369.21	7.89	-77.11
CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(C)(C)C(=O)[O-]	REAL300012682320	0	53	0.0	-77.07	373.68	7.21	-69.86
CCCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(C)C(=O)[O-]	REAL300012682321	0	53	0.0	-54.11	379.31	7.87	-46.24
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC(C)(C)[NH2+]1	REAL300012682322	0	47	0.0	-69.05	361.45	6.77	-62.28
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC(C)(C)[NH2+]1	REAL300012682323	0	47	0.0	-69.05	361.45	6.77	-62.28
CC1(C)CC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682324	0	60	0.0	-60.48	435.21	4.75	-55.73
CC1(C)CC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682325	0	49	0.0	-81.00	359.73	2.71	-78.29
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1	REAL300012682326	1	64	0.0	-60.18	459.26	4.46	-55.72
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682327	0	55	0.0	-60.10	403.58	9.30	-50.80
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1C(=O)[O-]	REAL300012682328	0	58	0.0	-64.75	412.16	9.60	-55.15
CC1(C)CC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682329	0	56	0.0	-73.45	404.96	7.66	-65.79
CC1(C)CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC(C)(C)[NH2+]1	REAL300012682330	0	51	0.0	-74.17	384.88	6.61	-67.56
CC1(C)CC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682331	0	56	0.0	-74.76	425.23	6.49	-68.27
C=CCCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682332	0	51	0.0	-73.98	383.25	5.80	-68.18
CC1(C)CC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682333	0	50	0.0	-75.50	393.66	4.54	-70.96
CC1(C)CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682334	0	51	0.0	-70.03	413.18	6.34	-63.69
CC1(C)CC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682335	0	51	0.0	-88.20	378.23	3.90	-84.30
CN1CC(C(=O)[O-])N(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1=O	REAL300012682336	0	52	0.0	-73.88	375.67	5.61	-68.27
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682337	0	51	0.0	-80.12	364.58	6.91	-73.21
CC1(C)CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC(C)(C)[NH2+]1	REAL300012682338	0	51	0.0	-75.10	384.46	6.59	-68.51
CC(CN1C=CC=N1)(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682339	0	54	0.0	-76.07	394.56	5.87	-70.20
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC(C)(C)[NH2+]1	REAL300012682340	0	54	0.0	-59.15	384.19	7.92	-51.23
CC[C@H](C)[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682341	0	53	0.0	-74.06	378.52	5.40	-68.66
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC(C)(C)[NH2+]1	REAL300012682342	0	52	0.0	-77.65	382.31	2.42	-75.23
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682343	0	60	0.0	-77.02	432.40	5.71	-71.31
CC1CCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)(C(=O)[O-])C1	REAL300012682344	0	54	0.0	-76.96	384.00	6.17	-70.79
CC1(C)CCCC1(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682345	0	57	0.0	-78.46	392.81	6.80	-71.66
COCCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682346	0	51	0.0	-74.34	382.61	3.53	-70.81
CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012682347	0	57	0.0	-72.72	417.90	9.44	-63.28
CC1(C)CC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)(C(=O)[O-])C1	REAL300012682348	0	54	0.0	-77.90	386.50	6.89	-71.01
CC1CCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012682349	0	61	0.0	-80.82	434.11	8.90	-71.92
CC1(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])CC1	REAL300012682350	0	51	0.0	-75.45	372.57	5.82	-69.63
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682351	0	60	0.0	-75.31	433.00	5.68	-69.63
CC1(C)CC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682352	0	49	0.0	-86.30	358.26	2.88	-83.42
CC1(C)CC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682353	0	59	0.0	-63.84	427.25	10.11	-53.73
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC(C)(C)[NH2+]1	REAL300012682354	0	52	0.0	-72.22	376.18	3.40	-68.82
CC1(C)CC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682355	0	52	0.0	-82.81	369.78	7.49	-75.32
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC(C)(C)[NH2+]1	REAL300012682356	0	55	0.0	-82.29	417.03	6.60	-75.69
CC1(C)CC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC(C)(C)[NH2+]1	REAL300012682357	0	50	0.0	-80.36	362.31	5.19	-75.17
CC1CCC(C(=O)[O-])N(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1	REAL300012682358	0	54	0.0	-83.58	375.53	8.49	-75.09
CC(C1=CC=CC=C1)C(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682359	0	57	0.0	-75.45	424.09	7.88	-67.57
CC1(C)CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682360	0	58	0.0	-74.20	421.53	7.68	-66.52
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCC2)CC(C)(C)[NH2+]1	REAL300012682361	0	51	0.0	-75.35	375.71	5.51	-69.84
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC(C)(C)[NH2+]1	REAL300012682362	0	64	0.0	-76.57	442.37	7.25	-69.32
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC(C)(C)[NH2+]1	REAL300012682363	0	57	0.0	-75.94	407.62	6.93	-69.01
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCC2)CC(C)(C)[NH2+]1	REAL300012682364	0	51	0.0	-75.35	375.71	5.51	-69.84
CC1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1C(=O)[O-]	REAL300012682365	0	51	0.0	-80.12	361.43	6.93	-73.19
CC1(C)CC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682366	0	58	0.0	-76.66	423.15	5.65	-71.01
CC1(C)CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC(C)(C)[NH2+]1	REAL300012682367	0	58	0.0	-58.69	409.11	8.59	-50.10
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC(C)(C)[NH2+]1	REAL300012682368	0	58	0.0	-77.80	399.01	5.47	-72.33
CC1=CC=CC2=C1CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C2C(=O)[O-]	REAL300012682369	0	58	0.0	-64.42	418.29	9.39	-55.03
CC1(C)CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682370	0	52	0.0	-57.70	371.25	7.34	-50.36
CC1(C)CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682371	0	58	0.0	-74.20	421.53	7.68	-66.52
CC1(C)CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682372	0	54	0.0	-75.39	413.55	7.61	-67.78
COC1CC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)(C(=O)[O-])C1	REAL300012682373	0	52	0.0	-74.59	381.66	4.02	-70.57
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC(C)(C)[NH2+]1	REAL300012682374	0	48	0.0	-76.57	358.67	5.19	-71.38
CO[C@H]1C[C@](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)(C(=O)[O-])C1	REAL300012682375	0	52	0.0	-75.26	382.04	4.45	-70.81
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC(C)(C)[NH2+]1	REAL300012682376	0	51	0.0	-75.36	389.02	6.22	-69.14
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682377	0	54	0.0	-80.78	378.10	8.16	-72.62
CC1(C)CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682378	0	47	0.0	-68.43	364.87	5.16	-63.27
CC1(C)CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682379	0	55	0.0	-76.44	402.75	4.48	-71.96
CC1(C)CC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682380	0	51	0.0	-75.01	399.01	6.60	-68.41
COCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012682381	0	58	0.0	-75.00	425.89	6.51	-68.49
CC(C)C(C)(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682382	0	53	0.0	-72.86	367.99	5.46	-67.40
CC1(C)CC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682383	0	49	0.0	-83.57	354.55	7.51	-76.06
CC1(C)CC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682384	0	52	0.0	-82.21	371.16	7.17	-75.04
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682385	0	57	0.0	-55.97	417.11	10.22	-45.75
CC1(C)CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682386	0	60	0.0	-73.66	429.27	7.67	-65.99
CC1(C)CC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682387	0	57	0.0	-75.27	430.34	8.28	-66.99
CC1(C)CC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682388	0	57	0.0	-74.01	430.34	8.28	-65.73
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC(C)(C)[NH2+]1	REAL300012682389	0	58	0.0	-74.06	409.38	7.15	-66.91
CC1(C)CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682390	0	60	0.0	-73.25	429.06	7.74	-65.51
CC1(C)CC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682391	0	60	0.0	-75.01	429.34	7.66	-67.35
CC1(C)CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682392	0	58	0.0	-57.08	410.36	8.30	-48.78
CC1(C)CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682393	0	58	0.0	-81.91	406.50	8.04	-73.87
COC1=CC=C(CC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])C=C1	REAL300012682394	0	58	0.0	-74.11	436.81	6.77	-67.34
C=CCSCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682395	0	52	0.0	-71.32	406.67	6.33	-64.99
CC1(C)CC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682396	0	55	0.0	-72.62	427.32	7.89	-64.73
CCC(C(=O)[O-])N(CC)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682397	0	53	0.0	-70.95	373.14	7.16	-63.79
COC1(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])CCC1	REAL300012682398	0	55	0.0	-76.47	397.34	4.47	-72.00
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC(C)(C)[NH2+]1	REAL300012682399	0	57	0.0	-73.70	410.09	7.46	-66.24
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC(C)(C)[NH2+]1	REAL300012682400	0	58	0.0	-77.76	416.43	8.59	-69.17
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC(C)(C)[NH2+]1	REAL300012682401	0	51	0.0	-78.25	382.27	5.95	-72.30
CC(C)(C)C1=CC=C(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])C=C1	REAL300012682403	0	63	0.0	-74.35	461.28	8.86	-65.49
CC(C)C1=CC=C(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])C=C1	REAL300012682404	0	60	0.0	-74.27	445.32	8.46	-65.81
CC1(C)CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682405	0	48	0.0	-79.16	356.40	6.04	-73.12
CC1(C)CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682406	0	50	0.0	-59.73	363.27	7.14	-52.59
CC1(C)CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1C(=O)[O-]	REAL300012682407	0	54	0.0	-81.10	380.15	7.31	-73.79
CCOC1=CC=C(C(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(=O)[O-])C=C1	REAL300012682408	0	58	0.0	-74.09	436.45	6.76	-67.33
CC1(C)CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682409	0	58	0.0	-81.80	402.71	9.02	-72.78
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC(C)(C)[NH2+]1	REAL300012682410	0	58	0.0	-74.77	427.11	8.40	-66.37
CC(COC1=CC=CC=C1)(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682411	0	58	0.0	-78.69	427.54	7.58	-71.11
CC1(C)CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682412	0	54	0.0	-77.61	421.10	7.52	-70.09
CC(C)CCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682413	0	56	0.0	-73.96	409.26	6.59	-67.37
CC1(C)CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682414	0	55	0.0	-56.71	394.61	7.87	-48.84
CC1(C)CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682415	0	55	0.0	-76.44	402.75	4.48	-71.96
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1	REAL300012682416	0	52	0.0	-77.14	390.68	7.55	-69.59
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC(C)(C)[NH2+]1	REAL300012682417	0	55	0.0	-77.28	386.78	7.04	-70.24
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC(C)(C)[NH2+]1	REAL300012682418	0	52	0.0	-79.25	371.40	6.41	-72.84
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC(C)(C)[NH2+]1	REAL300012682419	0	55	0.0	-77.56	392.47	6.77	-70.79
CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012682420	0	57	0.0	-72.69	417.97	9.43	-63.26
CC1(C)CC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC(C)(C)[NH2+]1	REAL300012682421	0	61	0.0	-59.31	423.78	8.81	-50.50
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC(C)(C)[NH2+]1	REAL300012682422	0	54	0.0	-75.67	390.35	6.14	-69.53
CO[C@H](C)[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682423	0	51	0.0	-75.18	378.47	3.70	-71.48
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682424	0	51	0.0	-76.05	363.11	5.69	-70.36
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC(C)(C)[NH2+]1	REAL300012682425	0	54	0.0	-59.94	405.87	9.28	-50.66
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1	REAL300012682426	0	54	0.0	-56.85	387.57	7.16	-49.69
CC1(C)CC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682427	0	55	0.0	-77.44	406.64	9.55	-67.89
CC1(C)CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682428	0	51	0.0	-79.30	369.93	7.54	-71.76
CC1(C)CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682429	0	48	0.0	-82.33	360.39	6.10	-76.23
CC1(C)CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682430	0	54	0.0	-75.39	413.55	7.61	-67.78
CC1(C)CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682431	0	51	0.0	-73.16	398.21	6.41	-66.75
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682432	0	51	0.0	-72.82	376.88	7.05	-65.77
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC(C)(C)[NH2+]1	REAL300012682433	0	55	0.0	-77.14	411.89	7.22	-69.92
CC1(C)CC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682434	0	59	0.0	-77.58	434.93	8.78	-68.80
CC1(C)CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682435	0	51	0.0	-73.16	398.21	6.41	-66.75
CC1(C)CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682436	0	55	0.0	-81.46	385.34	7.50	-73.96
COCCCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682437	0	54	0.0	-73.08	403.87	4.36	-68.72
CCCC(C(=O)[O-])N(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	REAL300012682438	0	53	0.0	-71.50	380.85	7.25	-64.25
CCOCC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682439	0	51	0.0	-76.18	382.65	3.68	-72.50
CC(C)(C)CC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)[O-]	REAL300012682440	0	56	0.0	-74.31	399.53	6.92	-67.39
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC(C)(C)[NH2+]1	REAL300012682441	0	55	0.0	-75.33	397.69	4.61	-70.72
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC(C)(C)[NH2+]1	REAL300012682442	0	55	0.0	-76.61	404.45	7.83	-68.78
C[C@H]1OCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1C(=O)[O-]	REAL300012682443	0	52	0.0	-81.31	370.45	5.92	-75.39
CC1(C)CC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682444	0	54	0.0	-73.94	390.26	7.37	-66.57
CC1(C)CC(NC(=O)NC(CCC#N)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682445	0	48	0.0	-74.79	369.55	5.03	-69.76
CC1(C)CC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC(C)(C)[NH2+]1	REAL300012682446	0	65	0.0	-76.10	439.87	8.58	-67.52
CC1(C)CC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682447	0	57	0.0	-76.87	432.71	7.83	-69.04
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC(C)(C)[NH2+]1	REAL300012682448	0	51	0.0	-63.13	383.18	7.58	-55.55
CC1(C)CC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682449	0	62	0.0	-80.30	421.28	7.88	-72.42
CC1(C)CC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC(C)(C)[NH2+]1	REAL300012682450	0	53	0.0	-70.25	419.11	6.10	-64.15
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1	REAL300012682451	0	55	0.0	-75.89	401.91	6.39	-69.50
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682452	0	54	0.0	-72.41	413.13	9.30	-63.11
C=CCOCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682453	0	53	0.0	-74.07	421.01	7.81	-66.26
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CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682463	0	51	0.0	-63.04	393.96	10.54	-52.50
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCC1	REAL300012682464	0	55	0.0	-64.09	406.74	10.87	-53.22
CCCN(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(COC)C(=O)[O-]	REAL300012682465	0	58	0.0	-73.71	435.78	11.47	-62.24
CCCN(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(CC)C(=O)[O-]	REAL300012682466	0	57	0.0	-77.70	426.67	12.46	-65.24
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CCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682478	0	48	0.0	-71.60	374.29	8.03	-63.57
CC(C)C(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682479	0	51	0.0	-72.49	391.56	8.55	-63.94
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682480	0	45	0.0	-74.79	350.64	8.81	-65.98
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CC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682482	0	45	0.0	-65.96	352.70	6.95	-59.01
CCC(C)C(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682483	0	54	0.0	-74.78	405.77	8.93	-65.85
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682484	0	45	0.0	-74.79	350.64	8.81	-65.98
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CCCC(C)(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682486	0	54	0.0	-70.65	400.17	9.09	-61.56
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682487	0	51	0.0	-63.29	384.29	10.21	-53.08
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CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682490	0	54	0.0	-62.41	408.37	10.84	-51.57
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CC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1CC1	REAL300012682493	0	52	0.0	-71.52	388.05	9.09	-62.43
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CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682496	0	51	0.0	-63.29	384.29	10.21	-53.08
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682497	0	51	0.0	-63.04	393.96	10.54	-52.50
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682498	0	48	0.0	-71.59	372.46	9.79	-61.80
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682499	0	54	0.0	-72.86	405.71	8.93	-63.93
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300012682500	0	52	0.0	-78.55	389.47	9.07	-69.48
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682501	0	55	0.0	-60.97	437.85	12.86	-48.11
CCC(C)(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682502	0	51	0.0	-70.46	378.67	8.34	-62.12
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CC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012682504	0	55	0.0	-74.65	418.49	10.82	-63.83
C[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682505	0	45	0.0	-65.12	352.48	6.97	-58.15
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682506	0	48	0.0	-71.59	372.46	9.79	-61.80
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CN(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1(C(=O)[O-])CCCCC1	REAL300012682512	0	58	0.0	-79.84	413.24	11.49	-68.35
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CN(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012682515	0	55	0.0	-78.96	421.08	11.59	-67.37
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CC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682524	0	52	0.0	-80.44	390.31	10.41	-70.03
O=C([O-])C1CCCCCN1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682525	0	55	0.0	-82.87	397.31	11.52	-71.35
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CCCCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682533	0	57	0.0	-71.40	438.78	10.36	-61.04
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CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682558	0	48	0.0	-72.65	364.61	9.04	-63.61
CCC(CC)(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682559	0	54	0.0	-73.74	395.34	9.23	-64.51
COC1=CC=C(C(NC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])C=C1	REAL300012682560	0	56	0.0	-73.32	440.10	9.34	-63.98
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682561	0	54	0.0	-62.45	403.18	11.12	-51.33
CCC(COC)(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682562	0	55	0.0	-75.95	413.35	8.53	-67.42
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682563	0	58	0.0	-74.52	436.55	10.23	-64.29
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682564	0	52	0.0	-73.19	405.30	9.54	-63.65
COCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682565	0	52	0.0	-71.92	407.96	7.09	-64.83
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682566	0	57	0.0	-73.52	422.80	11.31	-62.21
O=C([O-])C(CC(F)F)NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682567	0	48	0.0	-72.74	386.05	8.28	-64.46
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682568	0	58	0.0	-81.29	425.08	12.40	-68.89
CCCN(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012682569	0	54	0.0	-57.71	404.74	11.39	-46.32
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682570	0	58	0.0	-78.20	442.35	13.65	-64.55
CCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012682571	0	58	0.0	-77.59	435.40	11.71	-65.88
O=C([O-])C(CCF)NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682572	0	48	0.0	-70.98	381.12	8.11	-62.87
COC1(CC(NC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])CCC1	REAL300012682573	0	59	0.0	-75.46	444.81	9.08	-66.38
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCOCC1	REAL300012682574	0	56	0.0	-62.56	416.90	9.63	-52.93
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCCC1	REAL300012682575	0	58	0.0	-62.56	426.13	12.06	-50.50
C[C@H]1CC[C@@](NC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])CC1	REAL300012682576	0	58	0.0	-79.34	417.47	10.50	-68.84
COC1=CC=CC(C(NC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])=C1	REAL300012682577	0	56	0.0	-75.36	439.97	9.41	-65.95
CC(CCF)(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682578	0	51	0.0	-67.70	385.26	8.48	-59.22
O=C([O-])C1C2=C(CCN1C(=O)NC1CC[NH+](CC3=CC=CC=C3)CC1)OC=C2	REAL300012682579	0	53	0.0	-65.96	408.35	10.66	-55.30
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682580	0	49	0.0	-72.54	388.47	9.63	-62.91
COC1=CC=CC([C@H](NC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])=C1	REAL300012682581	0	56	0.0	-75.80	440.13	9.33	-66.47
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682582	0	48	0.0	-69.42	364.43	8.98	-60.44
CC1(C)CCCC(NC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012682583	0	61	0.0	-77.48	431.90	11.06	-66.42
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682584	0	50	0.0	-86.84	381.65	10.46	-76.38
COC1CN(C(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)C(C)(C(=O)[O-])C1	REAL300012682585	0	56	0.0	-79.95	422.24	9.43	-70.52
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682586	0	59	0.0	-75.15	445.62	8.86	-66.29
CC(C)(C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682587	0	54	0.0	-73.06	405.26	9.08	-63.98
C=C(Cl)CC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682588	0	49	0.0	-68.04	402.76	9.15	-58.89
C=C(C)CC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682589	0	52	0.0	-72.03	407.43	9.34	-62.69
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682590	0	53	0.0	-84.25	395.35	11.30	-72.95
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682591	0	49	0.0	-76.37	388.11	9.58	-66.79
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682592	0	49	0.0	-80.44	381.57	9.50	-70.94
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300012682593	0	50	0.0	-81.64	387.10	9.93	-71.71
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682594	0	59	0.0	-75.55	441.71	9.46	-66.09
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682595	0	54	0.0	-72.41	413.13	9.30	-63.11
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCOCC1	REAL300012682596	0	56	0.0	-74.95	424.55	8.01	-66.94
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012682597	0	52	0.0	-76.86	410.41	10.12	-66.74
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682598	0	52	0.0	-73.19	405.30	9.54	-63.65
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682599	0	51	0.0	-75.90	419.39	8.17	-67.73
CC(C)CCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682600	0	60	0.0	-71.42	456.35	10.86	-60.56
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682601	0	56	0.0	-75.65	430.47	8.41	-67.24
CSCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682602	0	49	0.0	-70.53	397.33	8.42	-62.11
COC[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682603	0	49	0.0	-73.65	386.33	6.20	-67.45
CC[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682604	0	48	0.0	-72.15	374.47	7.97	-64.18
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682605	0	55	0.0	-74.72	439.05	11.11	-63.61
CCC(C)CC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682606	0	57	0.0	-72.30	431.46	9.93	-62.37
C=CCCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682607	0	55	0.0	-73.45	430.34	10.07	-63.38
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682608	0	55	0.0	-71.44	439.25	11.05	-60.39
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682609	0	50	0.0	-80.95	384.06	10.88	-70.07
CC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012682610	0	55	0.0	-74.65	418.49	10.82	-63.83
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682611	0	49	0.0	-83.40	375.13	9.42	-73.98
CCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682612	0	51	0.0	-72.12	396.03	8.74	-63.38
CC(C)[C@@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682613	0	51	0.0	-74.30	386.58	8.30	-66.00
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682614	0	53	0.0	-86.52	394.46	11.40	-75.12
CCN(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012682615	0	54	0.0	-73.49	399.19	10.72	-62.77
CCCN(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012682616	0	54	0.0	-57.71	404.74	11.39	-46.32
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682617	0	48	0.0	-68.04	387.08	10.28	-57.76
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682618	0	48	0.0	-68.04	387.08	10.28	-57.76
CN(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012682619	0	51	0.0	-76.48	379.69	9.87	-66.61
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682620	0	49	0.0	-81.84	373.79	9.43	-72.41
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682621	0	50	0.0	-84.87	386.66	6.06	-78.81
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682622	0	56	0.0	-58.90	426.78	12.96	-45.94
CCC[C@@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682623	0	51	0.0	-73.52	395.73	8.79	-64.73
O=C([O-])[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012682624	0	52	0.0	-76.86	410.41	10.12	-66.74
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682625	0	57	0.0	-75.84	450.81	9.99	-65.85
C=CCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682626	0	52	0.0	-71.33	408.60	9.36	-61.97
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682627	0	51	0.0	-76.80	419.42	7.98	-68.82
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682628	0	52	0.0	-89.69	403.81	7.41	-82.28
CN1CC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)CC1=O	REAL300012682629	0	53	0.0	-75.57	401.07	9.14	-66.43
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682630	0	52	0.0	-80.93	390.29	10.42	-70.51
CC(C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682631	0	51	0.0	-72.43	391.51	8.55	-63.88
O=C([O-])[C@@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012682632	0	52	0.0	-73.61	410.60	10.04	-63.57
CC(CN1C=CC=N1)(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682633	0	55	0.0	-77.98	420.08	9.38	-68.60
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682634	0	48	0.0	-69.42	364.43	8.98	-60.44
CCC[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682635	0	51	0.0	-72.13	395.97	8.74	-63.39
CCN(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012682636	0	51	0.0	-71.88	383.49	9.90	-61.98
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCC1	REAL300012682637	0	55	0.0	-61.80	408.74	11.35	-50.45
CC(CN(C)C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682638	0	51	0.0	-79.20	385.99	9.71	-69.49
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682639	0	54	0.0	-72.86	405.71	8.93	-63.93
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682640	0	51	0.0	-70.22	384.89	9.96	-60.26
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)CC(CO)C1	REAL300012682641	0	53	0.0	-79.54	407.86	5.96	-73.58
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682642	0	61	0.0	-74.41	458.47	9.24	-65.17
CC1CCC(NC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012682643	0	55	0.0	-78.81	410.53	9.69	-69.12
CC1(C)CCCC1(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682644	0	58	0.0	-78.35	420.05	10.44	-67.91
COCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682645	0	52	0.0	-71.92	407.96	7.09	-64.83
CN(C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012682646	0	58	0.0	-71.69	442.03	13.02	-58.67
CC1(C)CC(NC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012682647	0	55	0.0	-80.08	412.04	10.38	-69.70
CC1(C(NC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])CC1	REAL300012682648	0	52	0.0	-78.44	398.08	9.33	-69.11
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682649	0	61	0.0	-76.27	458.51	9.18	-67.09
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682650	0	50	0.0	-87.63	383.93	6.36	-81.27
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCOC1	REAL300012682651	0	53	0.0	-74.98	401.71	6.90	-68.08
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682652	0	53	0.0	-85.07	394.65	10.96	-74.11
O=C([O-])C12COC(CN1C(=O)NC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300012682653	0	51	0.0	-78.51	387.39	8.77	-69.74
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300012682654	0	55	0.0	-84.80	400.76	12.02	-72.78
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682655	0	58	0.0	-77.03	449.67	11.40	-65.63
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682656	0	59	0.0	-75.75	442.70	11.78	-63.97
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCC1	REAL300012682657	0	52	0.0	-76.85	394.59	8.85	-68.00
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCCC1	REAL300012682658	0	58	0.0	-76.12	428.22	10.17	-65.95
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCC1	REAL300012682659	0	52	0.0	-76.85	394.59	8.85	-68.00
CC1CCN(C(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300012682660	0	52	0.0	-82.20	394.55	10.16	-72.04
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CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682716	0	52	0.0	-70.38	402.42	10.53	-59.85
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COCCCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682719	0	55	0.0	-73.19	429.70	7.80	-65.39
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682720	0	54	0.0	-73.21	406.40	10.90	-62.31
CCOCC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682721	0	52	0.0	-73.64	408.10	7.23	-66.41
CC(C)(C)CC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012682722	0	57	0.0	-72.51	425.37	10.36	-62.15
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C[C@H]1OCCN(C(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)[C@@H]1C(=O)[O-]	REAL300012682725	0	53	0.0	-82.73	395.82	9.46	-73.27
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C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012682728	0	48	0.0	-72.99	364.43	8.88	-64.11
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300012682729	0	56	0.0	-81.21	428.32	9.83	-71.38
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CC=N2)CC1	REAL300012683075	0	52	0.0	-65.16	406.86	6.40	-58.76
CC(C)CCCCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012683316	0	64	0.0	-58.19	472.62	9.34	-48.85
COC1=CC=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012683564	0	54	0.0	-66.21	419.62	6.76	-59.45
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683683	0	50	0.0	-72.10	384.93	8.14	-63.96
C=CCOCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683684	0	49	0.0	-73.08	392.60	6.56	-66.52
C=CC(C)C(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683685	0	48	0.0	-68.61	370.79	7.68	-60.93
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300012683686	0	52	0.0	-75.06	390.53	6.62	-68.44
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1=CC=CC=C1	REAL300012683687	0	48	0.0	-66.93	394.20	8.98	-57.95
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1=CC=CC=C1	REAL300012683688	0	48	0.0	-66.78	404.09	9.43	-57.35
COC1CCN(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012683689	0	52	0.0	-77.14	386.54	8.81	-68.33
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CC=CC=C1	REAL300012683690	0	52	0.0	-69.95	387.35	7.65	-62.30
CC1CCN(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012683691	0	51	0.0	-76.37	377.32	10.31	-66.06
CC1=CC(C(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300012683692	0	51	0.0	-66.46	408.77	9.61	-56.85
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1=CC=CC=C1	REAL300012683693	0	53	0.0	-70.96	418.68	8.68	-62.28
CC1=CC(C)=CC(C(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012683694	0	54	0.0	-70.10	424.72	10.24	-59.86
CC1=CC=C(C(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1C	REAL300012683695	0	54	0.0	-72.54	419.91	10.07	-62.47
CC1=CC=CC(C(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])=C1C	REAL300012683696	0	54	0.0	-72.56	412.14	9.86	-62.70
COC1=CC=C(C(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1F	REAL300012683697	0	52	0.0	-70.87	417.81	8.20	-62.67
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683698	0	47	0.0	-56.36	366.03	9.33	-47.03
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C1CCC1	REAL300012683699	0	51	0.0	-49.48	375.72	10.59	-38.89
CCCN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012683700	0	54	0.0	-73.84	408.33	10.31	-63.53
CCCN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012683701	0	53	0.0	-72.90	394.29	10.99	-61.91
CC(C)C(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683702	0	47	0.0	-68.68	358.09	7.09	-61.59
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC=C1	REAL300012683703	0	48	0.0	-77.34	356.44	9.97	-67.37
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300012683704	0	48	0.0	-66.79	398.87	9.38	-57.41
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CC=C1	REAL300012683705	0	46	0.0	-74.77	356.54	9.85	-64.92
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CC=C1	REAL300012683706	0	51	0.0	-70.47	375.50	8.97	-61.50
C[NH+](C)C(CNC(=O)N1CCCC1C(=O)[O-])C1=CC=CC=C1	REAL300012683707	0	45	0.0	-77.10	345.22	8.69	-68.41
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012683708	0	48	0.0	-70.92	360.55	7.84	-63.08
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C1=CC=CC=C1	REAL300012683709	0	54	0.0	-70.93	381.15	9.64	-61.29
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683710	0	51	0.0	-69.61	404.40	9.77	-59.84
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012683711	0	51	0.0	-56.62	403.53	11.58	-45.04
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012683712	0	48	0.0	-67.41	378.70	9.81	-57.60
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012683713	0	48	0.0	-69.92	382.14	8.86	-61.06
CC(C)C(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683714	0	47	0.0	-68.68	358.09	7.09	-61.59
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683715	0	51	0.0	-69.61	404.40	9.77	-59.84
CCC(C)C(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683716	0	50	0.0	-69.35	380.96	7.98	-61.37
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC=C1	REAL300012683717	0	48	0.0	-77.34	356.44	9.97	-67.37
CCCC(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683718	0	50	0.0	-67.14	371.62	7.90	-59.24
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683719	0	47	0.0	-57.47	354.14	8.87	-48.60
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012683720	0	45	0.0	-61.83	347.04	9.13	-52.70
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683721	0	45	0.0	-56.13	357.34	9.13	-47.00
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683722	0	50	0.0	-55.80	380.44	9.63	-46.17
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1=CC=CC=C1	REAL300012683723	0	52	0.0	-76.35	394.00	11.84	-64.51
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012683724	0	48	0.0	-68.25	356.40	8.77	-59.48
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1=CC=CC=C1	REAL300012683725	0	45	0.0	-70.62	373.93	7.93	-62.69
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CC=C1	REAL300012683726	0	51	0.0	-70.47	375.50	8.97	-61.50
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300012683727	0	51	0.0	-54.61	420.27	12.10	-42.51
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683728	0	47	0.0	-57.47	354.14	8.87	-48.60
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683729	0	47	0.0	-56.36	366.03	9.33	-47.03
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1=CC=CC=C1	REAL300012683730	0	55	0.0	-73.36	429.44	10.76	-62.60
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683731	0	50	0.0	-73.07	377.69	7.73	-65.34
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012683732	0	48	0.0	-70.92	360.55	7.84	-63.08
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300012683733	0	51	0.0	-54.79	409.95	11.64	-43.15
CCC(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683734	0	47	0.0	-66.82	350.12	7.13	-59.69
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=CC=C1	REAL300012683735	0	52	0.0	-72.44	400.25	10.01	-62.43
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1=CC=CC=C1	REAL300012683736	0	48	0.0	-69.81	393.20	9.02	-60.79
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012683737	0	51	0.0	-70.29	390.31	9.60	-60.69
CCCCCCC(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683738	0	59	0.0	-70.34	436.11	10.23	-60.11
CN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012683739	0	54	0.0	-71.96	414.12	11.80	-60.16
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300012683740	0	48	0.0	-66.79	398.87	9.38	-57.41
C[NH+](C)C(CNC(=O)N1CCOCC1C(=O)[O-])C1=CC=CC=C1	REAL300012683741	0	46	0.0	-74.49	347.72	7.29	-67.20
CN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300012683742	0	54	0.0	-76.06	385.08	10.30	-65.76
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012683743	0	45	0.0	-70.63	349.69	8.14	-62.49
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CC=C1	REAL300012683744	0	54	0.0	-57.40	425.94	12.35	-45.05
CN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012683745	0	51	0.0	-69.49	393.66	10.73	-58.76
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683746	0	48	0.0	-57.44	375.91	7.75	-49.69
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1=CC=CC=C1	REAL300012683747	0	52	0.0	-72.61	397.32	9.96	-62.65
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683748	0	45	0.0	-79.12	342.97	9.33	-69.79
C[NH+](C)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683749	0	48	0.0	-77.75	356.19	9.75	-68.00
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683750	0	45	0.0	-73.24	345.62	8.39	-64.85
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC1)C1=CC=CC=C1	REAL300012683751	0	45	0.0	-75.30	347.58	7.48	-67.82
C=CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683752	0	45	0.0	-70.12	358.46	7.22	-62.90
C[NH+](C)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CC=CC=C1	REAL300012683753	0	48	0.0	-72.84	359.27	10.21	-62.63
C[NH+](C)C(CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1=CC=CC=C1	REAL300012683754	0	55	0.0	-75.77	435.09	10.61	-65.16
C[NH+](C)C(CNC(=O)N1CCCCCC1C(=O)[O-])C1=CC=CC=C1	REAL300012683755	0	51	0.0	-74.50	370.20	10.23	-64.27
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012683756	0	45	0.0	-70.63	349.69	8.14	-62.49
CCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683757	0	50	0.0	-71.45	388.98	8.31	-63.14
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CC=C1	REAL300012683758	0	54	0.0	-57.40	425.94	12.35	-45.05
C[NH+](C)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=CC=C1	REAL300012683759	0	48	0.0	-77.21	362.36	9.22	-67.99
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CC=C1	REAL300012683760	0	51	0.0	-60.29	380.41	10.13	-50.16
COCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683761	0	45	0.0	-72.59	357.35	4.99	-67.60
CCCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683762	0	53	0.0	-71.42	410.48	9.10	-62.32
CCC1CCC(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012683763	0	57	0.0	-71.31	415.06	10.24	-61.07
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300012683764	0	52	0.0	-55.93	389.23	8.49	-47.44
CN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300012683765	0	51	0.0	-73.04	368.37	10.45	-62.59
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C1CC1	REAL300012683766	0	48	0.0	-64.09	362.39	9.21	-54.88
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C1CC1	REAL300012683767	0	51	0.0	-57.52	383.19	10.24	-47.28
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1=CC=CC=C1	REAL300012683768	0	48	0.0	-70.77	395.15	9.33	-61.44
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1=CC=CC=C1	REAL300012683769	0	48	0.0	-74.51	386.80	8.95	-65.56
C[NH+](C)C(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1=CC=CC=C1	REAL300012683770	0	52	0.0	-59.40	397.36	11.28	-48.12
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C1=CC=CC=C1	REAL300012683771	0	51	0.0	-75.25	418.27	10.04	-65.21
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012683772	0	57	0.0	-69.11	426.55	10.04	-59.07
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683773	0	54	0.0	-55.57	415.89	12.28	-43.29
CC1=CC=C(C(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012683774	0	51	0.0	-73.22	404.04	9.52	-63.70
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012683775	0	44	0.0	-64.94	361.08	7.48	-57.46
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1=CC=CC=C1	REAL300012683776	0	54	0.0	-72.94	425.61	12.12	-60.82
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)C1=CC=CC=C1	REAL300012683777	0	49	0.0	-67.13	373.33	8.63	-58.50
COCC(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683778	0	48	0.0	-74.38	368.36	6.42	-67.96
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683779	0	51	0.0	-68.03	388.59	8.14	-59.89
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683780	0	50	0.0	-55.80	380.44	9.63	-46.17
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683781	0	57	0.0	-56.81	428.97	12.83	-43.98
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012683782	0	45	0.0	-61.83	347.04	9.13	-52.70
C[NH+](C)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1=CC=CC=C1	REAL300012683783	0	47	0.0	-56.34	384.16	9.71	-46.63
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CC=CC=C1	REAL300012683784	0	46	0.0	-68.14	352.25	5.27	-62.87
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CC=C1	REAL300012683785	0	54	0.0	-73.38	399.68	9.04	-64.34
CN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300012683786	0	55	0.0	-68.94	414.72	9.57	-59.37
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1=CC=CC=C1	REAL300012683787	0	55	0.0	-75.90	414.87	12.60	-63.30
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300012683788	0	49	0.0	-70.03	367.08	6.49	-63.54
C=CCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683789	0	48	0.0	-70.40	379.46	8.10	-62.30
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683790	0	54	0.0	-49.74	412.95	12.65	-37.09
CCC(CC)(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683791	0	50	0.0	-71.12	366.79	8.02	-63.10
COC1=CC=C(C(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012683792	0	52	0.0	-70.61	412.24	8.13	-62.48
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683793	0	50	0.0	-55.75	375.25	9.90	-45.85
CCC(COC)(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683794	0	51	0.0	-75.81	385.04	7.32	-68.49
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683795	0	54	0.0	-68.38	407.97	9.02	-59.36
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1=CC=CC=C1	REAL300012683796	0	51	0.0	-75.76	392.20	4.97	-70.79
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC=C1	REAL300012683797	0	48	0.0	-67.58	377.50	8.38	-59.20
COCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683798	0	48	0.0	-71.35	378.82	5.84	-65.51
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683799	0	53	0.0	-67.01	394.48	10.26	-56.75
C[NH+](C)C(CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012683800	0	44	0.0	-66.33	355.77	7.30	-59.03
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683801	0	54	0.0	-80.72	393.95	11.67	-69.05
CCCN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012683802	0	50	0.0	-50.27	373.45	10.08	-40.19
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683803	0	54	0.0	-50.37	411.44	12.34	-38.03
CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012683804	0	54	0.0	-73.37	407.54	10.51	-62.86
COC1CCCC(C(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C1	REAL300012683805	0	58	0.0	-77.52	428.99	9.04	-68.48
C[NH+](C)C(CNC(=O)NC(CCF)C(=O)[O-])C1=CC=CC=C1	REAL300012683806	0	44	0.0	-70.79	352.57	6.90	-63.89
COC1(CC(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012683807	0	55	0.0	-70.53	415.30	8.21	-62.32
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300012683808	0	52	0.0	-55.93	389.23	8.49	-47.44
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C1=CC=CC=C1	REAL300012683809	0	54	0.0	-54.69	393.58	11.71	-42.98
C[C@H]1CC[C@@](NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012683810	0	54	0.0	-74.11	389.46	9.35	-64.76
COC1=CC=CC(C(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012683811	0	52	0.0	-69.86	408.50	9.15	-60.71
C[NH+](C)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CC=CC=C1	REAL300012683812	0	47	0.0	-67.41	356.71	7.28	-60.13
C[NH+](C)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1=CC=CC=C1	REAL300012683813	0	49	0.0	-62.28	378.99	9.35	-52.93
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683814	0	45	0.0	-71.20	359.97	8.41	-62.79
COC1=CC=CC([C@H](NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012683815	0	52	0.0	-73.65	407.83	9.05	-64.60
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C1	REAL300012683816	0	54	0.0	-76.50	411.42	10.57	-65.93
COC1=CC=CC(CC(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012683817	0	55	0.0	-75.56	433.78	9.14	-66.42
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1=CC=CC=C1	REAL300012683818	0	57	0.0	-75.79	403.49	9.89	-65.90
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC=CC=C1	REAL300012683819	0	46	0.0	-79.43	352.28	9.33	-70.10
COC1CN(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012683820	0	52	0.0	-75.66	392.11	9.24	-66.42
C[NH+](C)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300012683821	0	55	0.0	-67.75	413.30	8.28	-59.47
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC=CC=C1	REAL300012683822	0	50	0.0	-66.16	372.61	8.87	-57.29
C=C(Cl)CC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683823	0	45	0.0	-71.19	374.42	7.84	-63.35
C=C(C)CC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683824	0	48	0.0	-71.51	379.86	7.96	-63.55
C[NH+](C)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CC=CC=C1	REAL300012683825	0	49	0.0	-81.33	366.80	10.14	-71.19
C[NH+](C)C(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683826	0	54	0.0	-71.02	414.57	10.04	-60.98
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683827	0	45	0.0	-67.49	357.88	8.84	-58.65
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683828	0	45	0.0	-70.73	351.38	8.76	-61.97
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C1	REAL300012683829	0	46	0.0	-73.31	358.99	8.74	-64.57
C[NH+](C)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012683830	0	55	0.0	-69.11	417.36	7.64	-61.47
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683831	0	50	0.0	-72.10	384.93	8.14	-63.96
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300012683832	0	52	0.0	-75.06	390.53	6.62	-68.44
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012683833	0	48	0.0	-69.92	382.14	8.86	-61.06
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC=C1	REAL300012683834	0	48	0.0	-67.58	377.50	8.38	-59.20
C[NH+](C)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300012683835	0	47	0.0	-69.10	390.10	6.96	-62.14
CC(C)CCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683836	0	56	0.0	-71.42	428.04	9.60	-61.82
C[NH+](C)C(CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1=CC=CC=C1	REAL300012683837	0	54	0.0	-68.12	434.52	10.25	-57.87
C[NH+](C)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C1=CC=CC=C1	REAL300012683838	0	52	0.0	-76.22	402.79	7.14	-69.08
CSCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683839	0	45	0.0	-67.80	368.77	7.21	-60.59
COC[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683840	0	45	0.0	-67.46	355.29	5.99	-61.47
C[NH+](C)C(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683841	0	51	0.0	-66.75	407.37	10.80	-55.95
CCC(C)CC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683842	0	53	0.0	-71.86	402.91	8.72	-63.14
C=CCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683843	0	51	0.0	-70.97	401.79	8.87	-62.10
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683844	0	51	0.0	-71.77	406.71	10.75	-61.02
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C1=CC=CC=C1	REAL300012683845	0	54	0.0	-74.62	423.65	10.99	-63.63
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CC=C1	REAL300012683846	0	46	0.0	-74.77	356.54	9.85	-64.92
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012683847	0	51	0.0	-70.29	390.31	9.60	-60.69
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683848	0	45	0.0	-79.12	342.97	9.33	-69.79
CCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683849	0	47	0.0	-71.54	367.48	7.52	-64.02
CC(C)[C@@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683850	0	47	0.0	-71.19	358.55	8.36	-62.83
C[NH+](C)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CC=CC=C1	REAL300012683851	0	49	0.0	-79.38	366.03	10.28	-69.10
CCN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012683852	0	50	0.0	-73.83	370.80	9.56	-64.27
CCCN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012683853	0	50	0.0	-50.27	373.45	10.08	-40.19
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CC=C1	REAL300012683854	0	44	0.0	-66.73	360.23	8.87	-57.86
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CC=C1	REAL300012683855	0	44	0.0	-66.73	360.23	8.87	-57.86
CN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012683856	0	47	0.0	-74.07	351.57	8.72	-65.35
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683857	0	45	0.0	-73.24	345.62	8.39	-64.85
C[NH+](C)C(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012683858	0	57	0.0	-57.23	432.87	7.05	-50.18
C[NH+](C)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683859	0	46	0.0	-79.02	356.93	4.96	-74.06
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)CC1	REAL300012683860	1	61	0.0	-56.50	452.72	6.71	-49.79
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683861	0	52	0.0	-71.14	396.21	11.33	-59.81
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)[C@H]1C(=O)[O-]	REAL300012683862	0	55	0.0	-60.21	409.13	11.81	-48.40
CCC[C@@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683863	0	47	0.0	-71.50	364.69	8.58	-62.92
C[NH+](C)C(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C1=CC=CC=C1	REAL300012683864	0	53	0.0	-68.48	398.44	9.88	-58.60
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012683865	0	48	0.0	-67.41	378.70	9.81	-57.60
C[NH+](C)C(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683866	0	53	0.0	-70.39	422.27	8.79	-61.60
C=CCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683867	0	48	0.0	-70.40	379.46	8.10	-62.30
C[NH+](C)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300012683868	0	47	0.0	-74.54	391.32	6.84	-67.70
C[NH+](C)C(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012683869	0	48	0.0	-68.65	410.69	8.66	-59.99
C[NH+](C)C(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012683870	0	48	0.0	-84.57	375.38	6.26	-78.31
CN1CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)CC1=O	REAL300012683871	0	49	0.0	-70.74	368.52	8.51	-62.23
C[NH+](C)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=CC=C1	REAL300012683872	0	48	0.0	-73.16	358.65	10.15	-63.01
CC(C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683873	0	47	0.0	-64.92	357.61	8.29	-56.63
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012683874	0	48	0.0	-71.72	378.90	9.73	-61.99
C[NH+](C)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1=CC=CC=C1	REAL300012683875	0	51	0.0	-68.69	396.72	8.20	-60.49
CCC[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683876	0	47	0.0	-65.74	364.10	8.52	-57.22
CCN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012683877	0	47	0.0	-69.17	353.80	8.50	-60.67
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CC=C1	REAL300012683878	0	51	0.0	-60.29	380.41	10.13	-50.16
CC(CN(C)C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683879	0	47	0.0	-72.87	357.83	8.26	-64.61
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683880	0	50	0.0	-73.07	377.69	7.73	-65.34
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683881	0	47	0.0	-69.07	352.30	9.77	-59.30
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CC=CC=C1	REAL300012683882	0	49	0.0	-79.99	378.13	4.66	-75.33
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683883	0	57	0.0	-72.96	428.64	8.15	-64.81
CC1CCC(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012683884	0	51	0.0	-74.72	382.67	8.51	-66.21
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1=CC=CC=C1	REAL300012683885	0	54	0.0	-74.69	390.08	9.12	-65.57
COCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683886	0	48	0.0	-71.35	378.82	5.84	-65.51
CN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012683887	0	54	0.0	-71.96	414.12	11.80	-60.16
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CC=CC=C1	REAL300012683888	0	51	0.0	-75.97	383.81	9.17	-66.80
CC1CCC(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)(C(=O)[O-])C2=CC=CC=C21	REAL300012683889	0	58	0.0	-72.80	431.31	11.23	-61.57
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=CC=C1	REAL300012683890	0	48	0.0	-72.96	367.59	8.10	-64.86
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683891	0	57	0.0	-72.89	426.89	9.05	-63.84
C[NH+](C)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683892	0	46	0.0	-84.84	352.89	6.13	-78.71
C[NH+](C)C(CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1=CC=CC=C1	REAL300012683893	0	56	0.0	-60.94	424.33	12.42	-48.52
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CC=CC=C1	REAL300012683894	0	49	0.0	-70.20	373.56	5.75	-64.45
C[NH+](C)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CC=CC=C1	REAL300012683895	0	49	0.0	-80.67	367.32	9.83	-70.84
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1=CC=CC=C1	REAL300012683896	0	52	0.0	-77.39	414.06	8.91	-68.48
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CC=CC=C1	REAL300012683897	0	47	0.0	-75.95	359.68	7.54	-68.41
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C1	REAL300012683898	0	51	0.0	-77.47	377.56	10.56	-66.91
CC(C1=CC=CC=C1)C(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683899	0	54	0.0	-68.22	419.56	10.19	-58.03
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012683900	0	55	0.0	-71.95	414.58	10.63	-61.32
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC=C1	REAL300012683901	0	48	0.0	-72.30	366.27	7.65	-64.65
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1=CC=CC=C1	REAL300012683902	0	61	0.0	-69.19	436.79	10.51	-58.68
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CC=C1	REAL300012683903	0	54	0.0	-73.38	399.68	9.04	-64.34
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC=C1	REAL300012683904	0	48	0.0	-72.30	366.27	7.65	-64.65
CC1CCN(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C1C(=O)[O-]	REAL300012683905	0	48	0.0	-78.54	366.58	8.97	-69.57
C=CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683906	0	45	0.0	-70.12	358.46	7.22	-62.90
C[NH+](C)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=CC=C1	REAL300012683907	0	55	0.0	-67.73	418.46	8.57	-59.16
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1=CC=CC=C1	REAL300012683908	0	55	0.0	-50.46	391.99	10.59	-39.87
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1=CC=CC=C1	REAL300012683909	0	55	0.0	-75.37	396.08	7.77	-67.60
CC1=CC=CC2=C1CCN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C2C(=O)[O-]	REAL300012683910	0	55	0.0	-82.49	409.79	12.28	-70.21
C[NH+](C)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683911	0	49	0.0	-49.67	364.44	10.59	-39.08
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012683912	0	55	0.0	-71.95	414.58	10.63	-61.32
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683913	0	51	0.0	-70.27	410.57	9.91	-60.36
COC1CC(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012683914	0	49	0.0	-74.87	377.99	7.43	-67.44
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1=CC=CC=C1	REAL300012683915	0	45	0.0	-71.30	356.04	7.53	-63.77
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012683916	0	49	0.0	-69.27	379.37	6.72	-62.55
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1=CC=CC=C1	REAL300012683917	0	48	0.0	-74.72	385.58	8.58	-66.14
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683918	0	51	0.0	-80.34	372.45	10.92	-69.42
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012683919	0	44	0.0	-64.94	361.08	7.48	-57.46
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300012683920	0	52	0.0	-70.56	397.95	6.51	-64.05
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])COC1)C1=CC=CC=C1	REAL300012683921	0	43	0.0	-67.44	338.44	4.53	-62.91
C[NH+](C)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300012683922	0	48	0.0	-72.57	396.26	8.83	-63.74
COCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012683923	0	55	0.0	-71.49	423.74	8.84	-62.65
CC(C)C(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683924	0	50	0.0	-70.66	365.04	7.76	-62.90
C[NH+](C)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683925	0	46	0.0	-77.37	351.61	9.84	-67.53
C[NH+](C)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683926	0	49	0.0	-80.78	365.44	10.42	-70.36
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683927	0	54	0.0	-50.37	411.44	12.34	-38.03
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012683928	0	57	0.0	-69.11	426.55	10.04	-59.07
C[NH+](C)C(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683929	0	54	0.0	-68.06	424.83	11.53	-56.53
C[NH+](C)C(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683930	0	54	0.0	-73.30	424.83	11.54	-61.76
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1=CC=CC=C1	REAL300012683931	0	55	0.0	-68.90	405.05	10.30	-58.60
C[NH+](C)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012683932	0	57	0.0	-69.58	426.99	10.05	-59.53
C[NH+](C)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012683933	0	57	0.0	-72.46	426.55	10.04	-62.42
C[NH+](C)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012683934	0	55	0.0	-52.58	407.72	10.69	-41.89
C[NH+](C)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683935	0	55	0.0	-75.24	402.47	10.45	-64.79
COC1=CC=C(CC(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012683936	0	55	0.0	-69.43	433.65	9.08	-60.35
C=CCSCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683937	0	49	0.0	-68.54	403.73	8.63	-59.91
C[NH+](C)C(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683938	0	52	0.0	-70.12	425.81	10.16	-59.96
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683939	0	50	0.0	-73.19	372.91	10.25	-62.94
COC1(C(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012683940	0	52	0.0	-69.13	393.60	6.39	-62.74
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C1=CC=CC=C1	REAL300012683941	0	54	0.0	-72.31	408.41	9.82	-62.49
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C1=CC=CC=C1	REAL300012683942	0	55	0.0	-74.52	413.90	10.91	-63.61
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1=CC=CC=C1	REAL300012683943	0	48	0.0	-73.93	376.76	9.25	-64.68
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1=CC=CC=C1	REAL300012683945	0	60	0.0	-72.70	459.00	11.16	-61.54
CC(C)C1=CC=C(C(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012683946	0	57	0.0	-72.74	443.02	10.77	-61.97
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683947	0	45	0.0	-70.73	351.38	8.76	-61.97
C[NH+](C)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CC=CC=C1	REAL300012683948	0	47	0.0	-53.16	360.77	9.61	-43.55
C[NH+](C)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CC=CC=C1	REAL300012683949	0	51	0.0	-78.04	381.03	9.31	-68.73
CCOC1=CC=C(C(NC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012683950	0	55	0.0	-70.43	434.09	9.05	-61.38
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1=CC=CC=C1	REAL300012683951	0	55	0.0	-76.13	402.00	11.38	-64.75
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C1=CC=CC=C1	REAL300012683952	0	55	0.0	-68.42	420.92	11.59	-56.83
C[NH+](C)C(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683953	0	55	0.0	-77.15	425.19	9.88	-67.27
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1=CC=CC=C1	REAL300012683954	0	51	0.0	-72.16	415.82	10.76	-61.40
CC(C)CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683955	0	53	0.0	-70.99	405.71	8.85	-62.14
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012683956	0	52	0.0	-53.68	392.46	10.18	-43.50
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300012683957	0	52	0.0	-70.56	397.95	6.51	-64.05
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C1	REAL300012683958	0	49	0.0	-71.41	388.17	9.85	-61.56
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1=CC=CC=C1	REAL300012683959	0	52	0.0	-73.34	381.97	9.62	-63.72
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CC=CC=C1	REAL300012683960	0	49	0.0	-73.22	369.09	8.70	-64.52
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1=CC=CC=C1	REAL300012683961	0	52	0.0	-70.48	387.15	10.08	-60.40
CN(C(=O)NCC(C1=CC=CC=C1)[NH+](C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012683962	0	54	0.0	-73.20	410.94	12.79	-60.41
C[NH+](C)C(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1=CC=CC=C1	REAL300012683963	0	58	0.0	-55.54	421.25	11.14	-44.40
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CC=CC=C1	REAL300012683964	0	51	0.0	-69.57	388.25	8.50	-61.07
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683965	0	48	0.0	-73.34	376.33	6.08	-67.26
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683966	0	48	0.0	-75.30	365.81	9.42	-65.88
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012683967	0	51	0.0	-56.62	403.53	11.58	-45.04
C[NH+](C)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012683968	0	51	0.0	-49.47	381.39	10.36	-39.11
C[NH+](C)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012683969	0	48	0.0	-74.86	367.45	9.79	-65.07
C[NH+](C)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1=CC=CC=C1	REAL300012683970	0	45	0.0	-80.23	356.41	8.80	-71.43
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683971	0	51	0.0	-70.27	410.57	9.91	-60.36
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683972	0	48	0.0	-70.82	395.16	8.78	-62.04
C[NH+](C)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1=CC=CC=C1	REAL300012683973	0	48	0.0	-69.73	373.93	9.33	-60.40
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1=CC=CC=C1	REAL300012683974	0	52	0.0	-72.67	409.64	9.52	-63.15
C[NH+](C)C(CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683975	0	56	0.0	-78.64	430.02	12.08	-66.56
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683976	0	48	0.0	-70.82	395.16	8.78	-62.04
C[NH+](C)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683977	0	52	0.0	-81.88	380.51	10.93	-70.95
COCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683978	0	51	0.0	-69.96	400.32	6.61	-63.35
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300012683979	0	50	0.0	-66.90	378.48	9.68	-57.22
CCOCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012683980	0	48	0.0	-73.43	379.69	5.98	-67.45
C[NH+](C)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300012683981	0	53	0.0	-68.60	396.95	9.16	-59.44
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C1=CC=CC=C1	REAL300012683982	0	52	0.0	-68.93	394.67	8.31	-60.62
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=CC=C1	REAL300012683983	0	52	0.0	-72.44	400.25	10.01	-62.43
C[C@H]1OCCN(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012683984	0	49	0.0	-76.18	367.71	8.28	-67.90
C[NH+](C)C(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012683985	0	51	0.0	-64.39	387.80	9.65	-54.74
C[NH+](C)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CC=CC=C1	REAL300012683986	0	45	0.0	-73.78	366.83	7.27	-66.51
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1=CC=CC=C1	REAL300012683987	0	62	0.0	-70.69	437.09	10.87	-59.82
C[NH+](C)C(CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C1=CC=CC=C1	REAL300012683988	0	54	0.0	-72.14	434.06	10.09	-62.05
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1=CC=CC=C1	REAL300012683989	0	48	0.0	-61.45	384.57	9.72	-51.73
C[NH+](C)C(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1=CC=CC=C1	REAL300012683990	0	59	0.0	-76.36	417.88	10.27	-66.09
C[NH+](C)C(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012683991	0	50	0.0	-68.38	416.60	8.46	-59.92
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C1	REAL300012683992	0	52	0.0	-75.10	395.79	9.60	-65.50
COC1=CC=CC=C1OCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012684466	0	58	0.0	-68.02	445.11	6.69	-61.33
CC(C)C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684798	0	53	0.0	-73.26	371.31	7.17	-66.09
C=CCOCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684799	0	52	0.0	-68.38	376.81	6.43	-61.95
C=CC(C)C(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684800	0	51	0.0	-66.33	361.73	7.78	-58.55
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCOCC2)CCCCC1	REAL300012684801	0	55	0.0	-73.78	377.31	6.63	-67.15
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CCCCC1	REAL300012684802	0	51	0.0	-68.48	379.03	8.83	-59.65
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CCCCC1	REAL300012684803	0	51	0.0	-67.75	388.32	9.30	-58.45
COC1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C(C(=O)[O-])C1	REAL300012684804	0	55	0.0	-82.65	373.61	7.90	-74.75
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCOC2)CCCCC1	REAL300012684805	0	55	0.0	-66.17	374.66	6.44	-59.73
CC1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C(C(=O)[O-])C1	REAL300012684806	0	54	0.0	-82.42	357.60	9.10	-73.32
CC1=CC(C(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])=CC=C1F	REAL300012684807	0	54	0.0	-70.90	393.07	9.41	-61.49
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CCCCC1	REAL300012684808	0	56	0.0	-68.01	402.27	8.55	-59.46
CC1=CC(C)=CC(C(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])=C1	REAL300012684809	0	57	0.0	-74.30	408.54	10.05	-64.25
CC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])C=C1C	REAL300012684810	0	57	0.0	-74.21	404.15	9.93	-64.28
COC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])C=C1Cl	REAL300012684811	0	55	0.0	-70.74	411.25	8.59	-62.15
CC1=CC=CC(C(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])=C1C	REAL300012684812	0	57	0.0	-67.31	397.18	9.91	-57.40
COC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])C=C1F	REAL300012684813	0	55	0.0	-71.57	402.05	8.08	-63.49
CC(C(=O)[O-])N(C(=O)NCC1([NH+](C)C)CCCCC1)C1CCC1	REAL300012684814	0	54	0.0	-59.97	365.45	8.82	-51.15
CCCN(C(=O)NCC1([NH+](C)C)CCCCC1)C(COC)C(=O)[O-]	REAL300012684815	0	57	0.0	-65.66	386.50	8.81	-56.85
CCCN(C(=O)NCC1([NH+](C)C)CCCCC1)C(CC)C(=O)[O-]	REAL300012684816	0	56	0.0	-64.43	375.51	10.12	-54.31
C[NH+](C)C1(CNC(=O)N2CCCCC2C(=O)[O-])CCCCC1	REAL300012684817	0	51	0.0	-83.10	343.52	9.03	-74.07
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CCCCC1	REAL300012684818	0	51	0.0	-64.69	382.86	9.31	-55.38
C[NH+](C)C1(CNC(=O)N2CCSCC2C(=O)[O-])CCCCC1	REAL300012684819	0	49	0.0	-80.24	343.69	8.99	-71.25
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCCC2)CCCCC1	REAL300012684820	0	54	0.0	-70.51	363.30	8.08	-62.43
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCC2)CCCCC1	REAL300012684821	0	51	0.0	-71.70	348.43	6.99	-64.71
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCCCC2)CCCCC1	REAL300012684822	0	57	0.0	-71.45	365.36	9.51	-61.94
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CCCCC1	REAL300012684823	0	54	0.0	-76.60	388.57	9.64	-66.96
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CCCCC1	REAL300012684824	0	54	0.0	-58.66	386.23	11.40	-47.26
C[NH+](C)C1(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CCCCC1	REAL300012684825	0	51	0.0	-68.96	369.60	7.96	-61.00
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CCCCC1	REAL300012684826	0	51	0.0	-73.41	365.72	8.73	-64.68
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CCCCC1	REAL300012684827	0	54	0.0	-76.60	388.57	9.64	-66.96
CCC(C)C(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684828	0	53	0.0	-67.02	360.13	7.66	-59.36
C[NH+](C)C1(CNC(=O)N2CCCCC2C(=O)[O-])CCCCC1	REAL300012684829	0	51	0.0	-83.10	343.52	9.03	-74.07
CCCC(C)(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684830	0	53	0.0	-74.13	355.83	7.75	-66.38
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012684831	0	53	0.0	-59.34	363.38	9.67	-49.67
C[NH+](C)C1(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CCCCC1	REAL300012684832	0	55	0.0	-82.56	381.29	10.88	-71.68
C[NH+](C)C1(CNC(=O)NC(C)(C(=O)[O-])C2CC2)CCCCC1	REAL300012684833	0	51	0.0	-74.36	347.00	7.02	-67.34
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)CCCCC1	REAL300012684834	0	48	0.0	-72.05	357.95	7.80	-64.25
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCCC2)CCCCC1	REAL300012684835	0	54	0.0	-70.51	363.30	8.08	-62.43
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CCCCC1	REAL300012684836	0	54	0.0	-41.91	397.10	11.65	-30.26
C[NH+](C)C1(CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CCCCC1	REAL300012684837	0	58	0.0	-75.83	420.92	8.97	-66.86
CC[C@H](C)[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684838	0	53	0.0	-74.88	361.43	7.59	-67.29
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCC2)CCCCC1	REAL300012684839	0	51	0.0	-71.70	348.43	6.99	-64.71
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CCCCC1	REAL300012684840	0	54	0.0	-42.41	386.78	11.20	-31.21
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CCCCC1	REAL300012684841	0	55	0.0	-74.73	387.90	9.13	-65.60
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CCCCC1	REAL300012684842	0	51	0.0	-74.52	377.17	8.86	-65.66
C[NH+](C)C1(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CCCCC1	REAL300012684843	0	54	0.0	-69.07	374.46	9.52	-59.55
CCCCCCC(C)(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684844	0	62	0.0	-67.14	420.33	10.09	-57.05
CN(C(=O)NCC1([NH+](C)C)CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012684845	0	57	0.0	-75.66	398.24	11.72	-63.94
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CCCCC1	REAL300012684846	0	51	0.0	-64.69	382.86	9.31	-55.38
C[NH+](C)C1(CNC(=O)N2CCOCC2C(=O)[O-])CCCCC1	REAL300012684847	0	49	0.0	-78.58	334.60	6.39	-72.19
CN(C(=O)NCC1([NH+](C)C)CCCCC1)C1(C(=O)[O-])CCCCC1	REAL300012684848	0	57	0.0	-72.10	369.05	10.22	-61.88
C[NH+](C)C1(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CCCCC1	REAL300012684849	0	57	0.0	-60.30	408.63	12.18	-48.12
CN(C(=O)NCC1([NH+](C)C)CCCCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012684850	0	54	0.0	-66.15	372.41	10.28	-55.87
COCCN(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012684851	0	51	0.0	-59.49	358.61	7.58	-51.91
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CCCCC1	REAL300012684852	0	55	0.0	-79.02	381.04	9.77	-69.25
C[NH+](C)C1(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CCCCC1	REAL300012684853	0	51	0.0	-81.76	343.53	8.91	-72.85
C[NH+](C)C1(CNC(=O)N2CCCC2(C)C(=O)[O-])CCCCC1	REAL300012684854	0	51	0.0	-81.52	346.03	9.08	-72.44
C[NH+](C)C1(CNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CCCCC1	REAL300012684855	0	58	0.0	-75.96	422.52	9.59	-66.37
C[NH+](C)C1(CNC(=O)N2CCCCCC2C(=O)[O-])CCCCC1	REAL300012684856	0	54	0.0	-81.22	358.43	9.62	-71.60
CCCCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684857	0	53	0.0	-66.33	372.95	8.24	-58.09
C[NH+](C)C1(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CCCCC1	REAL300012684858	0	57	0.0	-60.30	408.63	12.18	-48.12
C[NH+](C)C1(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CCCCC1	REAL300012684859	0	51	0.0	-80.88	349.29	8.33	-72.55
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCCC2)CCCCC1	REAL300012684860	0	54	0.0	-55.71	368.01	9.29	-46.42
COCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684861	0	48	0.0	-67.40	341.91	4.92	-62.48
CCCCCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684862	0	56	0.0	-66.27	394.44	9.02	-57.25
CCC1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)(C(=O)[O-])CC1	REAL300012684863	0	60	0.0	-71.54	402.01	9.31	-62.23
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCOCC2)CCCCC1	REAL300012684864	0	55	0.0	-59.12	372.02	8.30	-50.82
CN(C(=O)NCC1([NH+](C)C)CCCCC1)C1(C(=O)[O-])CCCC1	REAL300012684865	0	54	0.0	-82.25	360.91	8.90	-73.35
CC(C(=O)[O-])N(C(=O)NCC1([NH+](C)C)CCCCC1)C1CC1	REAL300012684866	0	51	0.0	-64.73	342.24	7.97	-56.76
CCC(C(=O)[O-])N(C(=O)NCC1([NH+](C)C)CCCCC1)C1CC1	REAL300012684867	0	54	0.0	-52.43	370.38	9.46	-42.97
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CCCCC1	REAL300012684868	0	51	0.0	-68.98	377.99	9.29	-59.69
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CCCCC1	REAL300012684869	0	51	0.0	-73.79	370.78	8.87	-64.92
C[NH+](C)C1(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CCCCC1	REAL300012684870	0	55	0.0	-49.49	381.31	11.20	-38.29
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CCCCC1	REAL300012684871	0	54	0.0	-65.78	401.51	9.73	-56.05
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CCCCC1	REAL300012684872	0	60	0.0	-79.98	432.45	11.70	-68.28
C[NH+](C)C1(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CCCCC1	REAL300012684873	0	60	0.0	-75.27	410.52	9.83	-65.44
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012684874	0	57	0.0	-58.80	394.85	12.13	-46.67
CC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])C=C1	REAL300012684875	0	54	0.0	-73.99	387.73	9.38	-64.61
C[NH+](C)C1(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CCCCC1	REAL300012684876	0	47	0.0	-62.11	346.12	7.32	-54.79
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CCCCC1	REAL300012684877	0	57	0.0	-74.72	411.73	10.99	-63.73
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCSCC2)CCCCC1	REAL300012684878	0	52	0.0	-68.06	360.64	7.78	-60.28
COCC(C)(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684879	0	51	0.0	-78.32	352.57	6.29	-72.03
CCOCC(C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012684880	0	54	0.0	-64.81	372.31	7.99	-56.82
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012684881	0	53	0.0	-59.34	363.38	9.67	-49.67
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012684882	0	60	0.0	-59.20	408.92	12.14	-47.06
C[NH+](C)C1(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CCCCC1	REAL300012684883	0	50	0.0	-60.02	366.86	9.54	-50.48
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCOC2)CCCCC1	REAL300012684884	0	49	0.0	-73.00	335.81	5.21	-67.79
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCCC2)CCCCC1	REAL300012684885	0	57	0.0	-67.63	386.82	8.18	-59.45
CN(C(=O)NCC1([NH+](C)C)CCCCC1)C(COC1CCC1)C(=O)[O-]	REAL300012684886	0	58	0.0	-64.96	399.47	9.39	-55.57
C[NH+](C)C1(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CCCCC1	REAL300012684887	0	58	0.0	-46.07	401.38	12.33	-33.74
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCOCC2)CCCCC1	REAL300012684888	0	52	0.0	-70.99	354.37	5.60	-65.39
C=CCCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684889	0	51	0.0	-66.76	364.50	7.95	-58.81
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012684890	0	57	0.0	-62.16	392.26	11.31	-50.85
CCC(CC)(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684891	0	53	0.0	-75.52	351.00	7.89	-67.63
COC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])C=C1	REAL300012684892	0	55	0.0	-68.58	395.87	8.01	-60.57
CCC(C)N(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012684893	0	53	0.0	-57.75	359.95	10.03	-47.72
CCC(COC)(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684894	0	54	0.0	-80.28	369.25	7.19	-73.09
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012684895	0	57	0.0	-65.23	391.96	8.65	-56.58
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CCCCC1	REAL300012684896	0	54	0.0	-73.68	379.49	4.08	-69.60
C[NH+](C)C1(CNC(=O)NC(CC2CC2)C(=O)[O-])CCCCC1	REAL300012684897	0	51	0.0	-73.32	360.97	8.19	-65.13
COCCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684898	0	51	0.0	-67.00	363.87	5.69	-61.31
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012684899	0	56	0.0	-63.61	378.13	9.96	-53.65
C[NH+](C)C1(CNC(=O)NC(CC(F)F)C(=O)[O-])CCCCC1	REAL300012684900	0	47	0.0	-61.47	340.57	7.22	-54.25
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012684901	0	57	0.0	-84.62	383.68	11.18	-73.44
CCCN(C(=O)NCC1([NH+](C)C)CCCCC1)C(C)C(=O)[O-]	REAL300012684902	0	53	0.0	-37.52	350.24	9.34	-28.18
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012684903	0	57	0.0	-53.21	385.31	11.80	-41.41
CCC(NC(=O)NCC1([NH+](C)C)CCCCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012684904	0	57	0.0	-66.98	407.86	10.90	-56.08
CCC(NC(=O)NCC1([NH+](C)C)CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012684905	0	57	0.0	-76.32	391.06	10.34	-65.98
COC1CCCC(C(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])C1	REAL300012684906	0	61	0.0	-79.06	421.31	8.08	-70.98
C[NH+](C)C1(CNC(=O)NC(CCF)C(=O)[O-])CCCCC1	REAL300012684907	0	47	0.0	-65.79	336.79	6.77	-59.02
COC1(CC(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])CCC1	REAL300012684908	0	58	0.0	-65.74	399.96	7.86	-57.88
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCOCC2)CCCCC1	REAL300012684909	0	55	0.0	-59.12	372.02	8.30	-50.82
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCCCC2)CCCCC1	REAL300012684910	0	57	0.0	-44.22	381.16	10.69	-33.53
C[C@H]1CC[C@@](NC(=O)NCC2([NH+](C)C)CCCCC2)(C(=O)[O-])CC1	REAL300012684911	0	57	0.0	-71.72	376.75	8.47	-63.25
COC1=CC=CC(C(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])=C1	REAL300012684912	0	55	0.0	-70.65	395.63	8.07	-62.58
C[NH+](C)C1(CNC(=O)NC(C)(CCF)C(=O)[O-])CCCCC1	REAL300012684913	0	50	0.0	-63.95	340.92	7.14	-56.81
C[NH+](C)C1(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CCCCC1	REAL300012684914	0	52	0.0	-50.28	363.90	9.39	-40.89
C[NH+](C)C1(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CCCCC1	REAL300012684915	0	48	0.0	-68.57	342.71	8.38	-60.19
COC1=CC=CC([C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])=C1	REAL300012684916	0	55	0.0	-75.94	399.07	7.22	-68.72
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CCCCC2)C1	REAL300012684917	0	57	0.0	-80.85	398.22	9.63	-71.22
COC1=CC=CC(CC(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])=C1	REAL300012684918	0	58	0.0	-73.43	417.83	9.01	-64.42
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CCCCC1	REAL300012684919	0	60	0.0	-74.25	391.16	8.94	-65.31
C[NH+](C)C1(CNC(=O)N2CC3CC2(C(=O)[O-])C3)CCCCC1	REAL300012684920	0	49	0.0	-84.51	339.45	8.41	-76.10
C[NH+](C)C1(CNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CCCCC1	REAL300012684921	0	57	0.0	-73.95	408.49	10.34	-63.61
C[NH+](C)C1(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CCCCC1	REAL300012684922	0	56	0.0	-69.81	402.37	10.07	-59.74
COC1CN(C(=O)NCC2([NH+](C)C)CCCCC2)C(C)(C(=O)[O-])C1	REAL300012684923	0	55	0.0	-82.50	379.27	8.05	-74.45
C[NH+](C)C1(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])CCCCC1	REAL300012684924	0	58	0.0	-72.19	397.36	8.14	-64.05
C[NH+](C)C1(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CCCCC1	REAL300012684925	0	53	0.0	-75.48	360.99	7.74	-67.74
C=C(Cl)CC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684926	0	48	0.0	-62.96	358.67	7.75	-55.21
C=C(C)CC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684927	0	51	0.0	-67.13	363.09	8.00	-59.13
C[NH+](C)C1(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CCCCC1	REAL300012684928	0	52	0.0	-85.23	352.02	9.22	-76.01
C[NH+](C)C1(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CCCCC1	REAL300012684929	0	57	0.0	-74.63	398.17	9.89	-64.74
C[NH+](C)C1(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CCCCC1	REAL300012684930	0	48	0.0	-73.95	342.66	8.42	-65.53
C[NH+](C)C1(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CCCCC1	REAL300012684931	0	48	0.0	-79.11	335.41	8.71	-70.40
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CCCCC2)C1	REAL300012684932	0	49	0.0	-73.83	346.72	7.87	-65.96
C[NH+](C)C1(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])CCCCC1	REAL300012684933	0	58	0.0	-76.33	401.66	7.44	-68.89
CC(C)C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684934	0	53	0.0	-73.26	371.31	7.17	-66.09
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCOCC2)CCCCC1	REAL300012684935	0	55	0.0	-73.78	377.31	6.63	-67.15
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CCCCC1	REAL300012684936	0	51	0.0	-73.41	365.72	8.73	-64.68
C[NH+](C)C1(CNC(=O)NC(CC2CC2)C(=O)[O-])CCCCC1	REAL300012684937	0	51	0.0	-73.32	360.97	8.19	-65.13
C[NH+](C)C1(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CCCCC1	REAL300012684938	0	50	0.0	-71.13	374.34	6.82	-64.31
CC(C)CCCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684939	0	59	0.0	-66.27	412.01	9.54	-56.73
C[NH+](C)C1(CNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CCCCC1	REAL300012684940	0	57	0.0	-78.10	417.96	10.16	-67.94
C[NH+](C)C1(CNC(=O)NC(CC2CCCO2)C(=O)[O-])CCCCC1	REAL300012684941	0	55	0.0	-71.27	389.93	6.30	-64.97
CSCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684942	0	48	0.0	-64.28	353.65	7.05	-57.23
COC[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684943	0	48	0.0	-74.05	344.81	4.09	-69.96
C[NH+](C)C1(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CCCCC1	REAL300012684944	0	54	0.0	-67.56	398.03	9.03	-58.53
CCC(C)CC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684945	0	56	0.0	-66.56	386.88	8.65	-57.91
C=CCCCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684946	0	54	0.0	-67.05	386.00	8.74	-58.31
C[NH+](C)C1(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CCCCC1	REAL300012684947	0	54	0.0	-74.13	394.98	9.71	-64.42
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CCCCC1	REAL300012684948	0	57	0.0	-70.85	406.34	10.98	-59.87
C[NH+](C)C1(CNC(=O)N2CCSCC2C(=O)[O-])CCCCC1	REAL300012684949	0	49	0.0	-80.24	343.69	8.99	-71.25
C[NH+](C)C1(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CCCCC1	REAL300012684950	0	54	0.0	-69.07	374.46	9.52	-59.55
C[NH+](C)C1(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CCCCC1	REAL300012684951	0	52	0.0	-86.48	353.83	9.33	-77.15
CCN(C(=O)NCC1([NH+](C)C)CCCCC1)C(C)(C)C(=O)[O-]	REAL300012684952	0	53	0.0	-70.35	353.24	9.29	-61.06
CCCN(C(=O)NCC1([NH+](C)C)CCCCC1)C(C)C(=O)[O-]	REAL300012684953	0	53	0.0	-37.52	350.24	9.34	-28.18
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CCCCC1	REAL300012684954	0	47	0.0	-63.56	341.84	8.90	-54.66
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CCCCC1	REAL300012684955	0	47	0.0	-63.56	341.84	8.90	-54.66
C[NH+](C)C1(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CCCCC1	REAL300012684956	0	60	0.0	-46.35	415.75	6.90	-39.45
C[NH+](C)C1(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CCCCC1	REAL300012684957	0	49	0.0	-83.86	345.95	3.99	-79.87
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2([NH+](C)C)CCCCC2)CC1	REAL300012684958	1	64	0.0	-45.64	439.81	6.60	-39.04
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012684959	0	55	0.0	-80.01	377.96	11.95	-68.06
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2([NH+](C)C)CCCCC2)[C@H]1C(=O)[O-]	REAL300012684960	0	58	0.0	-62.67	393.14	11.62	-51.05
C[NH+](C)C1(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CCCCC1	REAL300012684961	0	56	0.0	-71.49	388.86	9.04	-62.45
C[NH+](C)C1(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CCCCC1	REAL300012684962	0	51	0.0	-68.96	369.60	7.96	-61.00
C[NH+](C)C1(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CCCCC1	REAL300012684963	0	56	0.0	-68.64	406.24	8.72	-59.92
C=CCCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684964	0	51	0.0	-66.76	364.50	7.95	-58.81
C[NH+](C)C1(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CCCCC1	REAL300012684965	0	50	0.0	-69.86	374.90	6.71	-63.15
C[NH+](C)C1(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CCCCC1	REAL300012684966	0	51	0.0	-69.23	397.06	7.71	-61.52
C[NH+](C)C1(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CCCCC1	REAL300012684967	0	51	0.0	-90.71	362.93	5.31	-85.40
CN1CC(C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CCCCC2)CC1=O	REAL300012684968	0	52	0.0	-72.91	360.09	6.90	-66.01
C[NH+](C)C1(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CCCCC1	REAL300012684969	0	51	0.0	-73.19	346.00	9.18	-64.01
C[NH+](C)C1(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CCCCC1	REAL300012684970	0	51	0.0	-73.38	365.72	8.73	-64.65
C[NH+](C)C1(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CCCCC1	REAL300012684971	0	54	0.0	-71.21	375.81	8.04	-63.17
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCCC2)CCCCC1	REAL300012684972	0	54	0.0	-55.71	368.01	9.29	-46.42
CC[C@H](C)[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684973	0	53	0.0	-74.88	361.43	7.59	-67.29
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CCCCC1	REAL300012684974	0	52	0.0	-77.38	361.83	4.59	-72.79
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684975	0	60	0.0	-74.17	413.88	7.06	-67.11
CC1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)(C(=O)[O-])C1	REAL300012684976	0	54	0.0	-77.91	368.83	7.60	-70.31
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CCCCC1	REAL300012684977	0	57	0.0	-71.01	375.73	9.09	-61.92
COCCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684978	0	51	0.0	-67.00	363.87	5.69	-61.31
CN(C(=O)NCC1([NH+](C)C)CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012684979	0	57	0.0	-75.66	398.24	11.72	-63.94
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CCCCC1	REAL300012684980	0	54	0.0	-78.92	371.33	8.30	-70.62
CC1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012684981	0	61	0.0	-80.73	415.34	11.15	-69.58
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2(C)CC2)CCCCC1	REAL300012684982	0	51	0.0	-74.68	358.94	7.80	-66.88
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684983	0	60	0.0	-66.88	413.31	8.00	-58.88
C[NH+](C)C1(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CCCCC1	REAL300012684984	0	49	0.0	-79.26	339.64	5.03	-74.23
C[NH+](C)C1(CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CCCCC1	REAL300012684985	0	59	0.0	-52.22	411.94	11.47	-40.75
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCOC2)CCCCC1	REAL300012684986	0	52	0.0	-71.12	360.29	5.66	-65.46
C[NH+](C)C1(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CCCCC1	REAL300012684987	0	52	0.0	-85.82	351.33	9.69	-76.13
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CCCCC1	REAL300012684988	0	55	0.0	-75.85	398.03	8.84	-67.01
C[NH+](C)C1(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CCCCC1	REAL300012684989	0	50	0.0	-80.46	346.79	6.57	-73.89
CC1CCC(C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CCCCC2)C1	REAL300012684990	0	54	0.0	-83.79	359.78	9.93	-73.86
CC(C1=CC=CC=C1)C(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012684991	0	57	0.0	-73.38	403.89	9.91	-63.47
C[NH+](C)C1(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CCCCC1	REAL300012684992	0	58	0.0	-74.43	402.91	9.77	-64.66
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCC2)CCCCC1	REAL300012684993	0	51	0.0	-75.00	356.95	7.68	-67.32
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CCCCC1	REAL300012684994	0	64	0.0	-69.16	427.19	8.65	-60.51
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCCC2)CCCCC1	REAL300012684995	0	57	0.0	-67.63	386.82	8.18	-59.45
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCC2)CCCCC1	REAL300012684996	0	51	0.0	-75.00	356.95	7.68	-67.32
CC1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C1C(=O)[O-]	REAL300012684997	0	51	0.0	-73.84	346.30	8.32	-65.52
C[NH+](C)C1(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])CCCCC1	REAL300012684998	0	58	0.0	-66.14	402.43	8.36	-57.78
C[NH+](C)C1(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CCCCC1	REAL300012684999	0	58	0.0	-34.49	368.65	9.90	-24.59
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CCCCC1	REAL300012685000	0	58	0.0	-73.10	383.90	6.83	-66.27
CC1=CC=CC2=C1CCN(C(=O)NCC1([NH+](C)C)CCCCC1)C2C(=O)[O-]	REAL300012685001	0	58	0.0	-61.96	398.50	11.73	-50.23
C[NH+](C)C1(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CCCCC1	REAL300012685002	0	52	0.0	-39.21	354.92	8.79	-30.42
C[NH+](C)C1(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CCCCC1	REAL300012685003	0	58	0.0	-74.43	402.91	9.77	-64.66
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CCCCC1	REAL300012685004	0	54	0.0	-70.53	394.79	9.78	-60.75
COC1CC(NC(=O)NCC2([NH+](C)C)CCCCC2)(C(=O)[O-])C1	REAL300012685005	0	52	0.0	-69.42	367.21	5.83	-63.59
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CCCCC1	REAL300012685006	0	48	0.0	-72.05	342.98	6.62	-65.43
CO[C@H]1C[C@](NC(=O)NCC2([NH+](C)C)CCCCC2)(C(=O)[O-])C1	REAL300012685007	0	52	0.0	-75.57	363.24	6.68	-68.89
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CCCCC1	REAL300012685008	0	51	0.0	-74.14	371.87	8.03	-66.11
CCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012685009	0	54	0.0	-73.00	359.82	10.02	-62.98
C[NH+](C)C1(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CCCCC1	REAL300012685010	0	47	0.0	-62.11	346.12	7.32	-54.79
C[NH+](C)C1(CNC(=O)NC(CC2CCOC2)C(=O)[O-])CCCCC1	REAL300012685011	0	55	0.0	-75.03	387.73	6.00	-69.03
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CCCCC1	REAL300012685012	0	51	0.0	-66.23	380.81	8.64	-57.59
COCC(NC(=O)NCC1([NH+](C)C)CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012685013	0	58	0.0	-73.49	407.14	8.67	-64.82
CC(C)C(C)(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012685014	0	53	0.0	-67.42	349.25	7.62	-59.80
C[NH+](C)C1(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CCCCC1	REAL300012685015	0	49	0.0	-80.18	336.17	9.63	-70.55
C[NH+](C)C1(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CCCCC1	REAL300012685016	0	52	0.0	-76.62	352.38	9.10	-67.52
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012685017	0	57	0.0	-53.21	385.31	11.80	-41.41
C[NH+](C)C1(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CCCCC1	REAL300012685018	0	60	0.0	-75.27	410.52	9.83	-65.44
C[NH+](C)C1(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CCCCC1	REAL300012685019	0	57	0.0	-74.48	414.83	9.67	-64.81
C[NH+](C)C1(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CCCCC1	REAL300012685020	0	57	0.0	-68.31	414.59	9.74	-58.57
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CCCCC1	REAL300012685021	0	58	0.0	-69.01	395.22	8.71	-60.30
C[NH+](C)C1(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CCCCC1	REAL300012685022	0	60	0.0	-68.20	413.82	9.06	-59.14
C[NH+](C)C1(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CCCCC1	REAL300012685023	0	60	0.0	-75.22	410.53	9.84	-65.38
C[NH+](C)C1(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CCCCC1	REAL300012685024	0	58	0.0	-38.92	393.96	9.74	-29.18
C[NH+](C)C1(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CCCCC1	REAL300012685025	0	58	0.0	-77.42	389.73	9.54	-67.88
COC1=CC=C(CC(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])C=C1	REAL300012685026	0	58	0.0	-74.63	417.23	8.95	-65.68
C=CCSCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012685027	0	52	0.0	-64.82	388.17	8.43	-56.39
C[NH+](C)C1(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CCCCC1	REAL300012685028	0	55	0.0	-75.56	409.40	10.03	-65.53
CCC(C(=O)[O-])N(CC)C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012685029	0	53	0.0	-64.23	353.51	9.29	-54.94
COC1(C(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])CCC1	REAL300012685030	0	55	0.0	-69.55	380.37	5.51	-64.04
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CCCCC1	REAL300012685031	0	57	0.0	-68.36	394.55	8.88	-59.48
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CCCCC1	REAL300012685032	0	58	0.0	-71.14	401.25	10.01	-61.13
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CCCCC1	REAL300012685033	0	51	0.0	-73.86	363.52	8.21	-65.65
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CCCCC1	REAL300012685035	0	63	0.0	-68.08	442.58	11.02	-57.06
CC(C)C1=CC=C(C(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])C=C1	REAL300012685036	0	60	0.0	-67.60	426.36	10.72	-56.88
C[NH+](C)C1(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CCCCC1	REAL300012685037	0	48	0.0	-79.11	335.41	8.71	-70.40
C[NH+](C)C1(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CCCCC1	REAL300012685038	0	50	0.0	-38.48	348.11	8.55	-29.93
C[NH+](C)C1(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CCCCC1	REAL300012685039	0	54	0.0	-81.72	366.51	8.54	-73.18
CCOC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CCCCC2)C(=O)[O-])C=C1	REAL300012685040	0	58	0.0	-68.26	417.69	8.92	-59.34
C[NH+](C)C1(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CCCCC1	REAL300012685041	0	58	0.0	-80.14	384.44	11.30	-68.84
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CCCCC1	REAL300012685042	0	58	0.0	-75.88	404.31	9.50	-66.38
C[NH+](C)C1(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CCCCC1	REAL300012685043	0	58	0.0	-80.26	408.79	9.74	-70.52
C[NH+](C)C1(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CCCCC1	REAL300012685044	0	54	0.0	-78.59	405.82	8.89	-69.70
CC(C)CCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012685045	0	56	0.0	-66.46	390.51	8.76	-57.70
C[NH+](C)C1(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CCCCC1	REAL300012685046	0	55	0.0	-39.03	379.04	9.27	-29.76
C[NH+](C)C1(CNC(=O)NC(CC2CCOC2)C(=O)[O-])CCCCC1	REAL300012685047	0	55	0.0	-75.03	387.73	6.00	-69.03
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CCCCC2)C1	REAL300012685048	0	52	0.0	-78.30	375.46	8.95	-69.35
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CCCCC1	REAL300012685049	0	55	0.0	-81.29	365.53	9.49	-71.80
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCC3CC32)CCCCC1	REAL300012685050	0	52	0.0	-80.63	352.65	8.59	-72.04
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CCCCC1	REAL300012685051	0	55	0.0	-79.22	383.59	8.46	-70.76
CN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012685052	0	57	0.0	-66.67	400.94	10.89	-55.78
C[NH+](C)C1(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CCCCC1	REAL300012685053	0	61	0.0	-38.98	408.27	10.23	-28.75
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCC2)CCCCC1	REAL300012685054	0	54	0.0	-67.80	369.95	7.43	-60.37
CO[C@H](C)[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012685055	0	51	0.0	-74.35	363.44	5.10	-69.25
CC1[C@@H](C)[C@@]1(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012685056	0	51	0.0	-72.21	344.16	7.93	-64.28
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CCCCC1	REAL300012685057	0	54	0.0	-58.66	386.23	11.40	-47.26
C[NH+](C)C1(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CCCCC1	REAL300012685058	0	54	0.0	-38.22	361.57	9.00	-29.22
C[NH+](C)C1(CNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CCCCC1	REAL300012685059	0	55	0.0	-77.27	388.19	11.80	-65.47
C[NH+](C)C1(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CCCCC1	REAL300012685060	0	51	0.0	-79.59	354.37	8.86	-70.73
C[NH+](C)C1(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CCCCC1	REAL300012685061	0	48	0.0	-85.27	340.59	8.75	-76.52
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CCCCC1	REAL300012685062	0	54	0.0	-70.53	394.79	9.78	-60.75
C[NH+](C)C1(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CCCCC1	REAL300012685063	0	51	0.0	-75.31	379.44	8.56	-66.75
C[NH+](C)C1(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CCCCC1	REAL300012685064	0	51	0.0	-73.46	358.14	9.20	-64.26
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CCCCC1	REAL300012685065	0	55	0.0	-74.18	396.38	8.63	-65.55
C[NH+](C)C1(CNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CCCCC1	REAL300012685066	0	59	0.0	-81.34	416.26	10.95	-70.39
C[NH+](C)C1(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CCCCC1	REAL300012685067	0	51	0.0	-75.31	379.44	8.56	-66.75
C[NH+](C)C1(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CCCCC1	REAL300012685068	0	55	0.0	-76.58	366.58	9.76	-66.82
COCCCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012685069	0	54	0.0	-66.70	385.36	6.46	-60.24
CCCC(C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CCCCC1	REAL300012685070	0	53	0.0	-63.79	362.28	9.50	-54.29
CCOCC(NC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300012685071	0	51	0.0	-67.70	363.77	5.89	-61.81
C[NH+](C)C1(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CCCCC1	REAL300012685072	0	56	0.0	-75.23	381.02	8.95	-66.28
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCCO2)CCCCC1	REAL300012685073	0	55	0.0	-77.21	381.44	7.19	-70.02
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CCCCC1	REAL300012685074	0	55	0.0	-74.73	387.90	9.13	-65.60
C[C@H]1OCCN(C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H]1C(=O)[O-]	REAL300012685075	0	52	0.0	-81.00	354.92	7.39	-73.61
C[NH+](C)C1(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CCCCC1	REAL300012685076	0	54	0.0	-73.76	375.29	8.80	-64.96
C[NH+](C)C1(CNC(=O)NC(CCC#N)C(=O)[O-])CCCCC1	REAL300012685077	0	48	0.0	-67.68	350.80	7.20	-60.48
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CCCCC1	REAL300012685078	0	65	0.0	-71.08	426.33	9.99	-61.09
C[NH+](C)C1(CNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CCCCC1	REAL300012685079	0	57	0.0	-72.35	418.52	9.90	-62.45
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CCCCC1	REAL300012685080	0	51	0.0	-56.83	372.34	8.85	-47.98
C[NH+](C)C1(CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CCCCC1	REAL300012685081	0	62	0.0	-78.64	400.88	10.06	-68.58
C[NH+](C)C1(CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CCCCC1	REAL300012685082	0	53	0.0	-64.90	400.35	8.28	-56.62
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CCCCC2)C1	REAL300012685083	0	55	0.0	-77.09	386.82	7.85	-69.24
COC1=CC=C(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685084	0	58	0.0	-68.03	441.16	8.61	-59.42
C=CCOCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685085	0	57	0.0	-70.24	449.11	6.98	-63.26
C=CC(C)C(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685086	0	56	0.0	-68.72	426.19	8.09	-60.63
COC1=CC=C(C(CNC(=O)N2CCC(C)CC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685087	0	59	0.0	-76.08	432.98	10.77	-65.31
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1	REAL300012685088	0	55	0.0	-56.34	421.93	9.76	-46.58
COC1=CC=C(C(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)[NH+]2CCCC2)C=C1	REAL300012685089	0	59	0.0	-60.64	433.91	10.09	-50.55
CCCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(CC)C(=O)[O-]	REAL300012685090	0	61	0.0	-60.68	449.85	10.81	-49.87
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300012685091	0	55	0.0	-67.16	416.67	7.73	-59.43
COC1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685092	0	56	0.0	-75.90	412.83	10.40	-65.50
COC1=CC=C(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685093	0	54	0.0	-74.99	412.29	10.28	-64.71
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+]2CCCC2)C=C1	REAL300012685094	0	59	0.0	-74.49	432.62	9.47	-65.02
COC1=CC=C(C(CNC(=O)N2CCCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685095	0	53	0.0	-72.10	401.32	9.16	-62.94
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)C=C1	REAL300012685096	0	56	0.0	-69.89	417.48	8.37	-61.52
COC1=CC=C(C(CNC(=O)NCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685097	0	46	0.0	-62.94	358.76	5.32	-57.62
COC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012685098	0	56	0.0	-72.76	438.67	9.26	-63.50
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012685099	0	56	0.0	-69.56	438.02	9.29	-60.27
CCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685100	0	52	0.0	-67.95	401.66	7.20	-60.75
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300012685101	0	55	0.0	-67.16	416.67	7.73	-59.43
COC1=CC=C(C(CNC(=O)N(C)CC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685102	0	49	0.0	-71.23	378.62	8.02	-63.21
COC1=CC=C(C(CNC(=O)NC(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685103	0	49	0.0	-62.90	380.50	6.20	-56.70
CCC(C)C(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685104	0	58	0.0	-69.60	433.73	8.15	-61.45
COC1=CC=C(C(CNC(=O)N(C)CC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685105	0	49	0.0	-71.23	378.62	8.02	-63.21
COC1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685106	0	56	0.0	-75.90	412.83	10.40	-65.50
CCCC(C)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685107	0	58	0.0	-67.28	428.13	8.31	-58.97
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300012685108	0	55	0.0	-57.33	410.50	9.30	-48.03
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300012685109	0	53	0.0	-40.27	396.20	10.27	-30.00
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1	REAL300012685110	0	53	0.0	-56.25	413.24	9.56	-46.69
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]2CCCC2)C=C1	REAL300012685111	0	58	0.0	-56.22	436.59	10.28	-45.94
COC1=CC=C(C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685112	0	52	0.0	-62.78	393.24	6.57	-56.21
COC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300012685113	0	56	0.0	-71.14	416.21	8.38	-62.76
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+]2CCCC2)C=C1	REAL300012685114	0	59	0.0	-74.49	432.62	9.47	-65.02
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300012685115	0	55	0.0	-57.33	410.50	9.30	-48.03
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1	REAL300012685116	0	55	0.0	-56.34	421.93	9.76	-46.58
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1	REAL300012685117	0	52	0.0	-71.41	400.43	9.00	-62.41
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685118	0	58	0.0	-67.76	433.09	8.26	-59.50
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)C=C1	REAL300012685119	0	56	0.0	-69.89	417.48	8.37	-61.52
CCC(C)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685120	0	55	0.0	-66.99	406.63	7.56	-59.43
COC1=CC=C(C(CNC(=O)N[C@@H](C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685121	0	49	0.0	-62.32	380.75	6.23	-56.09
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1	REAL300012685122	0	52	0.0	-71.41	400.43	9.00	-62.41
COC1=CC=C(C(CNC(=O)N[C@H](C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685123	0	49	0.0	-64.71	380.98	6.13	-58.58
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300012685124	0	50	0.0	-71.66	386.90	7.45	-64.21
COC1=CC=C(C(CNC(=O)N2CCOCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685125	0	54	0.0	-73.15	403.67	7.77	-65.38
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300012685126	0	53	0.0	-73.32	408.87	7.69	-65.63
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1	REAL300012685127	0	56	0.0	-57.55	431.80	8.18	-49.37
COC1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685128	0	53	0.0	-73.18	398.70	9.42	-63.76
COC1=CC=C(C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685129	0	56	0.0	-78.26	409.86	11.03	-67.23
COC1=CC=C(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685130	0	52	0.0	-68.65	393.52	8.25	-60.40
COC1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685131	0	53	0.0	-73.19	401.86	9.19	-64.00
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC2)[NH+]2CCCC2)C=C1	REAL300012685132	0	53	0.0	-70.79	403.81	7.95	-62.84
C=CCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685133	0	53	0.0	-67.27	414.97	7.65	-59.62
COC1=CC=C(C(CNC(=O)N2CCCC2(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685134	0	56	0.0	-72.83	418.33	9.65	-63.18
COC1=CC=C(C(CNC(=O)N2CCCCCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685135	0	59	0.0	-72.17	425.36	10.73	-61.44
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300012685136	0	53	0.0	-73.32	408.87	7.69	-65.63
COC1=CC=C(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685137	0	52	0.0	-66.20	392.45	8.19	-58.01
CCCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685138	0	58	0.0	-68.66	445.49	8.74	-59.92
COC1=CC=C(C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685139	0	56	0.0	-75.80	418.24	9.72	-66.08
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+]2CCCC2)C=C1	REAL300012685140	0	59	0.0	-58.82	430.69	10.47	-48.35
COCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685141	0	53	0.0	-69.56	413.86	5.42	-64.14
CCCCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685142	0	61	0.0	-68.58	466.98	9.52	-59.06
COC1=CC=C(C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)[NH+]2CCCC2)C=C1	REAL300012685143	0	59	0.0	-72.88	428.44	10.10	-62.78
COC1=CC=C(C(CNC(=O)N(C(C)C(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300012685144	0	56	0.0	-51.32	413.20	10.42	-40.90
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C1CC1	REAL300012685145	0	59	0.0	-56.64	429.42	11.25	-45.39
COCC(C)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685146	0	56	0.0	-71.47	424.87	6.84	-64.63
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1	REAL300012685147	0	59	0.0	-67.77	444.30	8.62	-59.15
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]2CCCC2)C=C1	REAL300012685148	0	58	0.0	-56.22	436.59	10.28	-45.94
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300012685149	0	53	0.0	-40.27	396.20	10.27	-30.00
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOC2)[NH+]2CCCC2)C=C1	REAL300012685150	0	54	0.0	-66.47	408.22	5.76	-60.71
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOCC2)[NH+]2CCCC2)C=C1	REAL300012685151	0	57	0.0	-73.28	423.51	6.98	-66.30
C=CCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685152	0	56	0.0	-67.74	435.97	8.53	-59.21
COC1=CC=C(C(CNC(=O)NC(CF)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685153	0	49	0.0	-60.07	384.11	6.21	-53.86
COC1=CC=C(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685154	0	52	0.0	-66.20	392.45	8.19	-58.01
CCC(CC)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685155	0	58	0.0	-67.72	421.91	8.44	-59.28
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1	REAL300012685156	0	58	0.0	-54.47	433.30	10.57	-43.90
CCC(COC)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685157	0	59	0.0	-75.52	440.44	7.74	-67.78
COC1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685158	0	56	0.0	-67.05	433.94	8.87	-58.18
COCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685159	0	56	0.0	-68.34	435.33	6.26	-62.08
COC1=CC=C(C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685160	0	61	0.0	-67.15	450.78	10.52	-56.63
COC1=CC=C(C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685161	0	52	0.0	-67.83	414.01	7.49	-60.34
CCCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012685162	0	58	0.0	-53.90	432.06	9.98	-43.92
COC1=CC=C(C(CNC(=O)NC(CCF)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685163	0	52	0.0	-67.98	409.09	7.34	-60.64
COC1=CC=C(C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685164	0	55	0.0	-67.15	412.11	7.68	-59.47
COC1=CC=C(C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685165	0	53	0.0	-68.57	415.39	9.01	-59.56
COC1=CC=C(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685166	0	52	0.0	-65.05	393.59	8.31	-56.74
COC1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)[NH+]2CCCC2)C=C1	REAL300012685167	0	54	0.0	-79.01	409.22	9.71	-69.30
COC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]2CCCC2)C=C1	REAL300012685168	0	58	0.0	-69.77	433.29	8.30	-61.47
C=C(Cl)CC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685169	0	53	0.0	-69.13	431.76	8.25	-60.88
C=C(C)CC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685170	0	56	0.0	-67.70	435.25	8.39	-59.31
COC1=CC=C(C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)[NH+]2CCCC2)C=C1	REAL300012685171	0	57	0.0	-81.60	423.86	10.61	-70.99
COC1=CC=C(C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685172	0	53	0.0	-68.07	411.86	9.72	-58.35
COC1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685173	0	53	0.0	-74.36	407.73	9.26	-65.10
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(OC)C=C2)[NH+]2CCCC2)C1	REAL300012685174	0	54	0.0	-72.45	415.51	9.24	-63.21
COC1=CC=C(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685175	0	58	0.0	-68.03	441.16	8.61	-59.42
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012685176	0	56	0.0	-69.56	438.02	9.29	-60.27
COC1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685177	0	56	0.0	-67.05	433.94	8.87	-58.18
COC1=CC=C(C(CNC(=O)NC(CSC)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685178	0	53	0.0	-65.60	425.29	7.64	-57.96
COC[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685179	0	53	0.0	-69.39	414.44	5.50	-63.89
CC[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685180	0	52	0.0	-67.88	402.57	7.25	-60.63
CCC(C)CC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685181	0	61	0.0	-68.09	458.59	9.16	-58.93
C=CCCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685182	0	59	0.0	-67.52	457.47	9.31	-58.21
COC1=CC=C(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685183	0	54	0.0	-74.99	412.29	10.28	-64.71
COC1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685184	0	53	0.0	-73.18	398.70	9.42	-63.76
CCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685185	0	55	0.0	-67.86	423.16	7.97	-59.89
COC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300012685186	0	55	0.0	-71.51	414.68	7.58	-63.93
COC1=CC=C(C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685187	0	57	0.0	-78.54	422.86	10.74	-67.80
CCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012685188	0	58	0.0	-72.86	426.78	9.95	-62.91
CCCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012685189	0	58	0.0	-53.90	432.06	9.98	-43.92
COC1=CC=C(C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685190	0	55	0.0	-72.99	407.66	9.10	-63.89
COC1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685191	0	53	0.0	-73.19	401.86	9.19	-64.00
COC1=CC=C(C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685192	0	54	0.0	-75.33	409.95	6.04	-69.29
CCC[C@@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685193	0	55	0.0	-70.77	423.83	8.08	-62.69
COC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012685194	0	56	0.0	-72.76	438.67	9.26	-63.50
C=CCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685195	0	56	0.0	-67.74	435.97	8.53	-59.21
COC1=CC=C(C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685196	0	56	0.0	-75.86	418.42	9.72	-66.14
COC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300012685197	0	55	0.0	-69.07	419.53	7.77	-61.30
COC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300012685198	0	56	0.0	-68.50	438.10	9.35	-59.15
COC1=CC=C(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685199	0	52	0.0	-65.05	393.59	8.31	-56.74
CCC[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685200	0	55	0.0	-67.86	423.16	7.97	-59.89
CCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012685201	0	55	0.0	-71.29	413.55	9.77	-61.52
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+]2CCCC2)C=C1	REAL300012685202	0	59	0.0	-58.82	430.69	10.47	-48.35
COC1=CC=C(C(CNC(=O)N(C)CC(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685203	0	55	0.0	-75.70	414.78	8.95	-66.75
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685204	0	58	0.0	-67.76	433.09	8.26	-59.50
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1	REAL300012685205	0	55	0.0	-66.08	413.00	9.24	-56.84
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)[NH+]2CCCC2)C=C1	REAL300012685206	0	57	0.0	-73.60	435.97	5.24	-68.36
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)[NH+]2CCCC2)C=C1	REAL300012685207	0	59	0.0	-73.50	438.64	8.99	-64.51
COCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685208	0	56	0.0	-68.34	435.33	6.26	-62.08
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)[NH+]2CCCC2)C=C1	REAL300012685209	0	59	0.0	-74.47	440.13	9.68	-64.79
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)[NH+]2CCCC2)C=C1	REAL300012685210	0	56	0.0	-72.79	424.03	8.59	-64.20
COC1=CC=C(C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685211	0	54	0.0	-83.04	412.53	5.66	-77.38
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOC2)[NH+]2CCCC2)C=C1	REAL300012685212	0	57	0.0	-65.53	435.30	6.40	-59.13
COC1=CC=C(C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685213	0	57	0.0	-80.49	423.69	10.28	-70.21
COC1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)[NH+]2CCCC2)C=C1	REAL300012685214	0	55	0.0	-75.18	415.83	8.09	-67.09
COC1=CC=C(C(CNC(=O)N2CC(C)CCC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685215	0	59	0.0	-75.99	433.20	11.05	-64.94
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+]2CCCC2)C=C1	REAL300012685216	0	56	0.0	-68.04	422.69	8.23	-59.81
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+]2CCCC2)C=C1	REAL300012685217	0	56	0.0	-68.04	422.69	8.23	-59.81
COC1=CC=C(C(CNC(=O)N2CCC(C)C2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685218	0	56	0.0	-73.39	422.68	9.47	-63.92
C=CCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685219	0	53	0.0	-67.27	414.97	7.65	-59.62
COC1=CC=C(C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685220	0	57	0.0	-44.01	413.80	9.77	-34.24
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(OC)C2)[NH+]2CCCC2)C=C1	REAL300012685221	0	57	0.0	-76.40	437.16	6.92	-69.48
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)[NH+]2CCCC2)C=C1	REAL300012685222	0	53	0.0	-69.63	412.02	8.00	-61.63
COC1=CC=C(C(CNC(=O)N[C@@]2(C(=O)[O-])C[C@@H](OC)C2)[NH+]2CCCC2)C=C1	REAL300012685223	0	57	0.0	-71.93	436.11	7.23	-64.70
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1	REAL300012685224	0	59	0.0	-76.54	434.18	10.89	-65.65
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])COC2)[NH+]2CCCC2)C=C1	REAL300012685225	0	51	0.0	-65.89	394.67	4.98	-60.91
COC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300012685226	0	58	0.0	-70.85	423.36	8.24	-62.61
COC1=CC=C(C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685227	0	54	0.0	-78.62	403.92	10.90	-67.72
COC1=CC=C(C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685228	0	57	0.0	-74.76	421.12	10.49	-64.27
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1	REAL300012685229	0	58	0.0	-72.83	429.09	10.62	-62.21
COC1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685230	0	53	0.0	-74.36	407.73	9.26	-65.10
COC1=CC=C(C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685231	0	55	0.0	-56.43	416.68	10.04	-46.39
COC1=CC=C(C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685232	0	59	0.0	-76.35	433.55	10.12	-66.23
COC1=CC=C(C(CNC(=O)NC(CCC(C)C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685233	0	61	0.0	-68.77	463.06	9.26	-59.51
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)[NH+]2CCCC2)C=C1	REAL300012685234	0	57	0.0	-75.61	423.88	9.11	-66.50
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCC2)[NH+]2CCCC2)C=C1	REAL300012685235	0	59	0.0	-67.95	438.90	8.80	-59.15
COC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)[NH+]2CCCC2)C=C1	REAL300012685236	0	56	0.0	-69.03	432.58	6.49	-62.54
COC1=CC=C(C(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)[NH+]2CCCC2)C=C1	REAL300012685237	0	56	0.0	-72.66	425.47	9.00	-63.66
COC1=CC=C(C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685238	0	59	0.0	-53.38	443.57	9.91	-43.47
COC1=CC=C(C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300012685239	0	53	0.0	-79.98	412.90	9.30	-70.68
COCCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012685240	0	59	0.0	-68.51	457.66	7.03	-61.48
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O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300012685463	0	55	0.0	-73.60	380.84	9.69	-63.91
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300012685464	0	57	0.0	-39.23	389.93	10.36	-28.87
CC1(C)CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1C(=O)[O-]	REAL300012685465	0	61	0.0	-72.82	410.53	10.27	-62.55
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300012685466	0	65	0.0	-77.99	425.35	13.07	-64.92
CC(C)CCC(NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300012685467	0	63	0.0	-66.72	432.79	10.51	-56.21
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300012685468	0	62	0.0	-38.57	422.15	11.05	-27.52
O=C([O-])C(CC1CCOC1)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300012685469	0	62	0.0	-71.90	427.06	8.56	-63.34
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300012685470	0	59	0.0	-75.51	415.31	11.34	-64.17
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCCC2CC21	REAL300012685471	0	62	0.0	-77.29	407.56	11.32	-65.97
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCC2CC21	REAL300012685472	0	59	0.0	-76.70	394.68	10.42	-66.28
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC2(CCC2)C1	REAL300012685473	0	62	0.0	-70.15	415.88	10.88	-59.27
O=C([O-])C(NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CCCC1	REAL300012685474	0	61	0.0	-66.95	408.39	10.03	-56.92
CO[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300012685475	0	58	0.0	-71.13	402.09	7.77	-63.36
CC1[C@@H](C)[C@@]1(NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300012685476	0	58	0.0	-70.78	386.08	9.79	-60.99
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300012685477	0	61	0.0	-55.34	428.41	13.23	-42.11
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300012685478	0	61	0.0	-41.69	405.31	10.78	-30.91
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300012685479	0	58	0.0	-76.59	393.35	11.60	-64.99
O=C([O-])C1N(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCC1(F)F	REAL300012685480	0	55	0.0	-79.76	386.04	9.74	-70.02
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300012685481	0	58	0.0	-71.14	420.65	10.41	-60.73
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300012685482	0	58	0.0	-69.78	400.17	11.01	-58.77
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300012685483	0	58	0.0	-71.14	420.65	10.41	-60.73
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300012685484	0	62	0.0	-76.31	408.66	11.47	-64.84
COCCCC(NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300012685485	0	61	0.0	-66.29	427.40	8.28	-58.01
CCCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300012685486	0	60	0.0	-62.90	404.41	11.35	-51.55
CCOCC(NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300012685487	0	58	0.0	-67.66	405.80	7.71	-59.95
CC(C)(C)CC(NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300012685488	0	63	0.0	-71.32	422.91	10.91	-60.41
O=C([O-])C(NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CCCCO1	REAL300012685489	0	62	0.0	-73.34	423.33	9.06	-64.28
O=C([O-])C1(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC2=CC=CC=C2C1	REAL300012685490	0	62	0.0	-70.76	429.73	10.96	-59.80
C[C@H]1OCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)[C@@H]1C(=O)[O-]	REAL300012685491	0	59	0.0	-76.24	396.83	9.16	-67.08
N#CCCC(NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300012685492	0	55	0.0	-67.75	393.08	8.95	-58.80
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300012685493	0	58	0.0	-56.09	410.08	11.37	-44.72
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300012685494	0	54	0.0	-62.44	362.49	9.50	-52.94
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300012685495	0	62	0.0	-73.85	425.34	10.41	-63.44
COC1=CC=C(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685496	0	54	0.0	-70.68	413.75	7.47	-63.21
C=CCOCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685497	0	53	0.0	-75.54	421.61	5.84	-69.70
C=CC(C)C(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685498	0	52	0.0	-70.88	400.29	6.98	-63.90
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012685499	0	56	0.0	-70.57	423.69	6.12	-64.45
COC1=CC=C(C(CNC(=O)N2CCC(OC)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685500	0	56	0.0	-79.69	416.02	8.11	-71.58
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)[NH+](C)C)C=C1	REAL300012685501	0	56	0.0	-72.87	419.49	5.95	-66.92
COC1=CC=C(C(CNC(=O)N2CCC(C)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685502	0	55	0.0	-78.82	400.09	9.37	-69.45
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)[NH+](C)C)C=C1	REAL300012685503	0	58	0.0	-72.82	454.34	9.54	-63.28
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)[NH+](C)C)C=C1	REAL300012685504	0	58	0.0	-71.44	446.86	10.22	-61.22
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)[NH+](C)C)C=C1	REAL300012685505	0	58	0.0	-69.60	437.51	10.05	-59.55
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C	REAL300012685506	0	51	0.0	-63.23	394.92	8.63	-54.60
COC1=CC=C(C(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)[NH+](C)C)C=C1	REAL300012685507	0	55	0.0	-50.87	400.55	9.65	-41.22
CCCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012685508	0	58	0.0	-72.76	438.12	9.60	-63.16
CCCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012685509	0	57	0.0	-56.17	418.87	10.32	-45.85
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012685510	0	51	0.0	-71.04	387.60	6.39	-64.65
COC1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685511	0	52	0.0	-79.72	385.93	9.27	-70.45
COC1=CC=C(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685512	0	50	0.0	-77.16	386.03	9.15	-68.01
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+](C)C)C=C1	REAL300012685513	0	55	0.0	-73.80	405.46	8.28	-65.52
COC1=CC=C(C(CNC(=O)N2CCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685514	0	49	0.0	-80.03	374.70	7.99	-72.04
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300012685515	0	52	0.0	-77.99	390.37	7.15	-70.84
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)[NH+](C)C)C=C1	REAL300012685516	0	58	0.0	-77.57	410.69	8.94	-68.63
COC1=CC=C(C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685517	0	55	0.0	-71.17	433.67	9.14	-62.03
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012685518	0	55	0.0	-63.20	432.44	10.88	-52.32
COC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012685519	0	52	0.0	-74.91	411.57	8.21	-66.70
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012685520	0	52	0.0	-75.33	411.78	8.12	-67.21
CCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685521	0	48	0.0	-74.56	375.48	6.07	-68.49
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012685522	0	51	0.0	-71.04	387.60	6.39	-64.65
COC1=CC=C(C(CNC(=O)N(C)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012685523	0	45	0.0	-70.17	351.60	6.89	-63.28
COC1=CC=C(C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685524	0	55	0.0	-71.17	433.67	9.14	-62.03
COC1=CC=C(C(CNC(=O)NC(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685525	0	45	0.0	-65.23	353.97	5.01	-60.22
CCC(C)C(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685526	0	54	0.0	-71.67	410.46	7.27	-64.40
COC1=CC=C(C(CNC(=O)N(C)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012685527	0	45	0.0	-70.17	351.60	6.89	-63.28
COC1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685528	0	52	0.0	-79.72	385.93	9.27	-70.45
CCCC(C)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685529	0	54	0.0	-69.35	401.12	7.19	-62.16
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012685530	0	51	0.0	-64.18	383.82	8.17	-56.01
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012685531	0	49	0.0	-58.04	377.94	8.43	-49.61
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C	REAL300012685532	0	49	0.0	-63.04	386.23	8.43	-54.61
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+](C)C)C=C1	REAL300012685533	0	54	0.0	-62.70	409.32	8.93	-53.77
COC1=CC=C(C(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685534	0	56	0.0	-81.52	423.35	11.65	-69.87
COC1=CC=C(C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685535	0	48	0.0	-64.49	366.23	5.44	-59.05
COC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012685536	0	52	0.0	-74.41	389.25	7.17	-67.24
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)[NH+](C)C)C=C1	REAL300012685537	0	49	0.0	-73.29	403.17	7.29	-66.00
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+](C)C)C=C1	REAL300012685538	0	55	0.0	-73.80	405.46	8.28	-65.52
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012685539	0	51	0.0	-64.18	383.82	8.17	-56.01
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C	REAL300012685540	0	51	0.0	-63.23	394.92	8.63	-54.60
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C	REAL300012685541	0	48	0.0	-70.05	373.41	7.87	-62.18
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685542	0	54	0.0	-71.78	406.87	7.01	-64.77
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300012685543	0	52	0.0	-77.99	390.37	7.15	-70.84
CCC(C)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685544	0	51	0.0	-69.07	379.62	6.44	-62.63
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)[NH+](C)C)C=C1	REAL300012685545	0	56	0.0	-73.52	430.06	9.33	-64.19
COC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012685546	0	55	0.0	-71.44	416.76	9.86	-61.58
COC1=CC=C(C(CNC(=O)N[C@@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685547	0	45	0.0	-63.09	350.48	5.94	-57.15
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C	REAL300012685548	0	48	0.0	-70.05	373.41	7.87	-62.18
CCCCCCC(C)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685549	0	63	0.0	-73.38	465.62	9.53	-63.85
COC1=CC=C(C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685550	0	58	0.0	-69.59	442.47	11.00	-58.59
COC1=CC=C(C(CNC(=O)N[C@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685551	0	45	0.0	-67.31	354.11	4.99	-62.32
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300012685552	0	46	0.0	-78.17	360.28	6.27	-71.90
COC1=CC=C(C(CNC(=O)N2CCOCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685553	0	50	0.0	-76.82	376.96	6.58	-70.24
COC1=CC=C(C(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)[NH+](C)C)C=C1	REAL300012685554	0	58	0.0	-79.04	414.56	9.60	-69.44
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012685555	0	49	0.0	-68.19	379.81	7.53	-60.66
COC1=CC=C(C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012685556	0	58	0.0	-64.30	454.82	11.65	-52.65
COC1=CC=C(C(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012685557	0	55	0.0	-70.79	419.09	9.80	-60.99
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C	REAL300012685558	0	52	0.0	-64.13	404.79	7.06	-57.07
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)[NH+](C)C)C=C1	REAL300012685559	0	56	0.0	-74.87	426.80	9.25	-65.62
COC1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685560	0	49	0.0	-79.47	375.15	7.64	-71.83
COC1=CC=C(C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685561	0	52	0.0	-80.37	385.66	9.04	-71.33
COC1=CC=C(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685562	0	48	0.0	-72.03	365.58	7.04	-64.99
COC1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685563	0	49	0.0	-79.05	374.24	7.97	-71.08
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC2)[NH+](C)C)C=C1	REAL300012685564	0	49	0.0	-75.07	377.06	6.79	-68.28
C=CCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685565	0	49	0.0	-73.13	387.96	6.52	-66.61
COC1=CC=C(C(CNC(=O)N2CCCC2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685566	0	52	0.0	-79.10	391.51	8.50	-70.60
COC1=CC=C(C(CNC(=O)N2CCCCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685567	0	55	0.0	-75.59	399.00	10.12	-65.47
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012685568	0	49	0.0	-68.19	379.81	7.53	-60.66
COC1=CC=C(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685569	0	48	0.0	-67.82	366.51	7.13	-60.69
CCCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685570	0	54	0.0	-73.71	417.65	7.62	-66.09
COC1=CC=C(C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012685571	0	58	0.0	-64.30	454.82	11.65	-52.65
COC1=CC=C(C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685572	0	52	0.0	-80.13	391.84	8.53	-71.60
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+](C)C)C=C1	REAL300012685573	0	55	0.0	-64.80	409.90	9.42	-55.38
COCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685574	0	49	0.0	-75.67	386.85	4.29	-71.38
CCCCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685575	0	57	0.0	-74.44	439.98	8.39	-66.05
CCC1CCC(NC(=O)NCC(C2=CC=C(OC)C=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012685576	0	61	0.0	-76.74	444.10	9.52	-67.22
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012685577	0	56	0.0	-64.94	418.39	7.75	-57.19
COC1=CC=C(C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300012685578	0	55	0.0	-75.07	400.91	8.88	-66.19
COC1=CC=C(C(CNC(=O)N(C(C)C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012685579	0	52	0.0	-62.54	391.78	8.41	-54.13
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C1CC1	REAL300012685580	0	55	0.0	-67.36	413.38	9.77	-57.59
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)[NH+](C)C)C=C1	REAL300012685581	0	52	0.0	-81.49	416.73	8.20	-73.29
COC1=CC=C(C(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685582	0	56	0.0	-67.89	426.57	10.60	-57.29
COC1=CC=C(C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685583	0	61	0.0	-74.80	455.71	9.33	-65.47
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012685584	0	58	0.0	-49.26	441.73	12.73	-36.53
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)[NH+](C)C)C=C1	REAL300012685585	0	55	0.0	-72.17	432.95	8.89	-63.28
COC1=CC=C(C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685586	0	48	0.0	-68.64	391.42	6.75	-61.89
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCSCC2)[NH+](C)C)C=C1	REAL300012685587	0	53	0.0	-70.85	403.15	7.98	-62.87
COCC(C)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685588	0	52	0.0	-73.55	397.86	5.72	-67.83
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C	REAL300012685589	0	55	0.0	-72.74	418.29	7.55	-65.19
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+](C)C)C=C1	REAL300012685590	0	54	0.0	-62.70	409.32	8.93	-53.77
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012685591	0	49	0.0	-58.04	377.94	8.43	-49.61
COC1=CC=C(C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012685592	0	51	0.0	-63.70	413.05	9.01	-54.69
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOC2)[NH+](C)C)C=C1	REAL300012685593	0	50	0.0	-70.64	381.47	4.59	-66.05
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+](C)C)C=C1	REAL300012685594	0	58	0.0	-75.68	425.97	9.33	-66.35
COC1=CC=C(C(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685595	0	59	0.0	-74.52	444.41	8.81	-65.71
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOCC2)[NH+](C)C)C=C1	REAL300012685596	0	53	0.0	-73.63	396.87	5.79	-67.84
C=CCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685597	0	52	0.0	-68.26	405.78	8.29	-59.97
COC1=CC=C(C(CNC(=O)NC(CF)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685598	0	45	0.0	-63.04	357.27	5.05	-57.99
COC1=CC=C(C(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685599	0	58	0.0	-58.49	440.03	11.84	-46.65
COC1=CC=C(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685600	0	48	0.0	-67.82	366.51	7.13	-60.69
CCC(CC)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685601	0	54	0.0	-70.07	396.01	7.33	-62.74
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C	REAL300012685602	0	54	0.0	-62.58	404.14	9.20	-53.38
CCC(COC)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685603	0	55	0.0	-78.80	414.54	6.63	-72.17
COC1=CC=C(C(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685604	0	58	0.0	-73.34	438.56	8.29	-65.05
COC1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685605	0	52	0.0	-70.83	407.23	7.60	-63.23
COCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685606	0	52	0.0	-68.96	405.15	6.02	-62.94
COC1=CC=C(C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685607	0	57	0.0	-72.43	423.71	9.54	-62.89
COC1=CC=C(C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685608	0	48	0.0	-74.27	387.83	6.35	-67.92
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C	REAL300012685609	0	58	0.0	-81.21	425.30	10.35	-70.86
CCCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012685610	0	54	0.0	-55.46	406.11	9.48	-45.98
COC1=CC=C(C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685611	0	58	0.0	-49.60	442.08	11.71	-37.89
CCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012685612	0	58	0.0	-72.27	436.44	9.77	-62.50
COC1=CC=C(C(CNC(=O)NC(CCF)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685613	0	48	0.0	-67.90	378.07	7.11	-60.79
COC1=CC=C(C(CNC(=O)NC(CC2(OC)CCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685614	0	59	0.0	-73.57	445.87	7.43	-66.14
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012685615	0	56	0.0	-64.94	418.39	7.75	-57.19
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)[NH+](C)C)C=C1	REAL300012685616	0	58	0.0	-65.07	427.29	10.13	-54.94
COC1=CC=C(C(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)[NH+](C)C)C=C1	REAL300012685617	0	58	0.0	-76.95	418.94	8.65	-68.30
COC1=CC=C(C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685618	0	51	0.0	-70.35	386.21	6.58	-63.77
COC1=CC=C(C(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685619	0	53	0.0	-65.22	409.20	8.77	-56.45
COC1=CC=C(C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685620	0	49	0.0	-70.77	387.98	7.82	-62.95
COC1=CC=C(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685621	0	48	0.0	-68.40	366.14	7.00	-61.40
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)[NH+](C)C)C=C1	REAL300012685622	0	61	0.0	-73.56	432.82	9.17	-64.39
COC1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)[NH+](C)C)C=C1	REAL300012685623	0	50	0.0	-82.14	381.67	8.61	-73.53
COC1=CC=C(C(CNC(=O)N2CC(OC)CC2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685624	0	56	0.0	-74.35	420.98	8.44	-65.91
COC1=CC=C(C(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685625	0	59	0.0	-70.00	442.55	7.63	-62.37
COC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+](C)C)C=C1	REAL300012685626	0	54	0.0	-71.92	406.42	7.17	-64.75
C=C(Cl)CC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685627	0	49	0.0	-74.25	403.92	7.14	-67.11
C=C(C)CC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685628	0	52	0.0	-74.48	409.34	7.25	-67.23
COC1=CC=C(C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)[NH+](C)C)C=C1	REAL300012685629	0	53	0.0	-84.78	396.79	9.43	-75.35
COC1=CC=C(C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685630	0	49	0.0	-74.49	388.41	7.85	-66.64
COC1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685631	0	49	0.0	-73.33	380.88	8.06	-65.27
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(OC)C=C2)[NH+](C)C)C1	REAL300012685632	0	50	0.0	-82.04	385.19	8.93	-73.11
COC1=CC=C(C(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685633	0	59	0.0	-71.70	446.85	6.94	-64.76
COC1=CC=C(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685634	0	54	0.0	-70.68	413.75	7.47	-63.21
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012685635	0	56	0.0	-70.57	423.69	6.12	-64.45
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012685636	0	52	0.0	-75.33	411.78	8.12	-67.21
COC1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685637	0	52	0.0	-70.83	407.23	7.60	-63.23
COC1=CC=C(C(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685638	0	51	0.0	-74.34	420.55	6.27	-68.07
COC1=CC=C(C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685639	0	60	0.0	-73.66	456.71	8.91	-64.75
COC1=CC=C(C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685640	0	56	0.0	-78.32	431.81	6.42	-71.90
COC1=CC=C(C(CNC(=O)NC(CSC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685641	0	49	0.0	-70.68	398.28	6.51	-64.17
COC[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685642	0	49	0.0	-72.21	387.34	4.34	-67.87
CC[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685643	0	48	0.0	-71.11	375.63	6.06	-65.05
CCC(C)CC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685644	0	57	0.0	-74.10	431.58	8.03	-66.07
C=CCCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685645	0	55	0.0	-73.22	430.46	8.18	-65.04
COC1=CC=C(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685646	0	50	0.0	-77.16	386.03	9.15	-68.01
COC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012685647	0	55	0.0	-71.44	416.76	9.86	-61.58
COC1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685648	0	49	0.0	-79.47	375.15	7.64	-71.83
CCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685649	0	51	0.0	-73.81	396.15	6.84	-66.97
COC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012685650	0	51	0.0	-73.96	387.07	6.46	-67.50
COC1=CC=C(C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])[NH+](C)C)C=C1	REAL300012685651	0	53	0.0	-81.68	395.52	9.58	-72.10
CCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012685652	0	54	0.0	-71.77	400.02	8.84	-62.93
CCCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012685653	0	54	0.0	-55.46	406.11	9.48	-45.98
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+](C)C)C=C1	REAL300012685654	0	48	0.0	-67.33	387.99	8.37	-58.96
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+](C)C)C=C1	REAL300012685655	0	48	0.0	-67.33	387.99	8.37	-58.96
COC1=CC=C(C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685656	0	51	0.0	-72.10	380.99	7.96	-64.14
COC1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685657	0	49	0.0	-79.05	374.24	7.97	-71.08
COC1=CC=C(C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685658	0	50	0.0	-78.77	386.81	4.29	-74.48
COC1=CC=C(C(CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685659	0	56	0.0	-81.04	424.88	10.89	-70.15
CCC[C@@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685660	0	51	0.0	-74.06	396.88	6.88	-67.18
COC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012685661	0	52	0.0	-74.91	411.57	8.21	-66.70
C=CCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685662	0	52	0.0	-68.26	405.78	8.29	-59.97
COC1=CC=C(C(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685663	0	51	0.0	-73.27	420.43	6.08	-67.19
COC1=CC=C(C(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685664	0	52	0.0	-85.99	404.66	5.58	-80.41
COC1=CC=C(C(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685665	0	53	0.0	-72.21	402.82	7.25	-64.96
COC1=CC=C(C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685666	0	52	0.0	-79.10	391.48	8.50	-70.60
COC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012685667	0	51	0.0	-73.21	383.43	7.26	-65.95
COC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012685668	0	52	0.0	-73.53	407.83	9.06	-64.47
COC1=CC=C(C(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685669	0	55	0.0	-75.72	421.23	7.47	-68.25
COC1=CC=C(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685670	0	48	0.0	-68.40	366.14	7.00	-61.40
CCC[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685671	0	51	0.0	-70.99	397.12	6.81	-64.18
CCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012685672	0	51	0.0	-67.91	382.68	7.80	-60.11
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+](C)C)C=C1	REAL300012685673	0	55	0.0	-64.80	409.90	9.42	-55.38
COC1=CC=C(C(CNC(=O)N(C)CC(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685674	0	51	0.0	-74.45	385.84	7.53	-66.92
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685675	0	54	0.0	-71.78	406.87	7.01	-64.77
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C	REAL300012685676	0	51	0.0	-68.71	386.59	8.07	-60.64
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)[NH+](C)C)C=C1	REAL300012685677	0	53	0.0	-82.78	407.61	3.96	-78.82
COC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[NH+](C)C)C=C1	REAL300012685678	0	61	0.0	-72.80	457.07	7.41	-65.39
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)[NH+](C)C)C=C1	REAL300012685679	0	55	0.0	-74.18	412.02	7.81	-66.37
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)[NH+](C)C)C=C1	REAL300012685680	0	58	0.0	-77.40	419.57	8.41	-68.99
COCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685681	0	52	0.0	-68.96	405.15	6.02	-62.94
COC1=CC=C(C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685682	0	58	0.0	-69.59	442.47	11.00	-58.59
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)[NH+](C)C)C=C1	REAL300012685683	0	55	0.0	-75.49	413.49	8.49	-67.00
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)[NH+](C)C)C=C1	REAL300012685684	0	52	0.0	-76.05	397.08	7.39	-68.66
COC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[NH+](C)C)C=C1	REAL300012685685	0	61	0.0	-75.77	458.42	7.40	-68.37
COC1=CC=C(C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685686	0	50	0.0	-83.13	386.68	4.44	-78.69
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOC2)[NH+](C)C)C=C1	REAL300012685687	0	53	0.0	-74.99	402.40	5.09	-69.90
COC1=CC=C(C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])[NH+](C)C)C=C1	REAL300012685688	0	53	0.0	-83.53	396.73	9.13	-74.40
COC1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)[NH+](C)C)C=C1	REAL300012685689	0	51	0.0	-77.57	389.09	6.81	-70.76
COC1=CC=C(C(CNC(=O)N2CC(C)CCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685690	0	55	0.0	-79.09	406.60	9.86	-69.23
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012685691	0	58	0.0	-70.48	449.08	9.48	-61.00
COC1=CC=C(C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685692	0	59	0.0	-71.13	448.34	9.20	-61.93
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+](C)C)C=C1	REAL300012685693	0	52	0.0	-75.44	395.76	6.94	-68.50
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+](C)C)C=C1	REAL300012685694	0	58	0.0	-75.68	425.97	9.33	-66.35
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+](C)C)C=C1	REAL300012685695	0	52	0.0	-75.44	395.76	6.94	-68.50
COC1=CC=C(C(CNC(=O)N2CCC(C)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685696	0	52	0.0	-81.44	396.06	8.29	-73.15
C=CCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685697	0	49	0.0	-73.13	387.96	6.52	-66.61
COC1=CC=C(C(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685698	0	59	0.0	-73.51	447.62	7.85	-65.66
COC1=CC=C(C(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)[NH+](C)C)C=C1	REAL300012685699	0	59	0.0	-54.05	421.71	9.82	-44.23
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)[NH+](C)C)C=C1	REAL300012685700	0	59	0.0	-73.21	425.70	7.11	-66.10
COC1=CC=C(C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685701	0	53	0.0	-56.08	398.06	9.04	-47.04
COC1=CC=C(C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685702	0	59	0.0	-71.13	448.34	9.20	-61.93
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(OC)C2)[NH+](C)C)C=C1	REAL300012685703	0	53	0.0	-82.70	407.54	6.73	-75.97
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)[NH+](C)C)C=C1	REAL300012685704	0	49	0.0	-75.73	385.06	6.80	-68.93
COC1=CC=C(C(CNC(=O)N[C@@]2(C(=O)[O-])C[C@@H](OC)C2)[NH+](C)C)C=C1	REAL300012685705	0	53	0.0	-72.51	409.52	6.02	-66.49
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C	REAL300012685706	0	55	0.0	-78.40	404.66	9.78	-68.62
COC1=CC=C(C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685707	0	48	0.0	-68.64	391.42	6.75	-61.89
COC1=CC=C(C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685708	0	56	0.0	-74.46	430.51	6.11	-68.35
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])COC2)[NH+](C)C)C=C1	REAL300012685709	0	47	0.0	-71.37	367.46	3.82	-67.55
COC1=CC=C(C(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685710	0	52	0.0	-74.84	424.95	8.15	-66.69
COC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012685711	0	54	0.0	-70.13	396.35	7.13	-63.00
COC1=CC=C(C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685712	0	50	0.0	-81.92	382.34	9.16	-72.76
COC1=CC=C(C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685713	0	53	0.0	-81.42	397.83	8.52	-72.90
COC1=CC=C(C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685714	0	58	0.0	-49.60	442.08	11.71	-37.89
COC1=CC=C(C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685715	0	61	0.0	-74.80	455.71	9.33	-65.47
COC1=CC=C(C(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685716	0	58	0.0	-71.33	456.20	9.86	-61.47
COC1=CC=C(C(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685717	0	58	0.0	-75.60	457.04	9.86	-65.74
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)[NH+](C)C)C=C1	REAL300012685718	0	59	0.0	-77.07	437.91	8.72	-68.35
COC1=CC=C(C(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685719	0	61	0.0	-74.78	455.71	9.32	-65.46
COC1=CC=C(C(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685720	0	61	0.0	-71.42	455.95	9.25	-62.17
COC1=CC=C(C(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685721	0	59	0.0	-58.48	436.88	9.89	-48.59
COC1=CC=C(C(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685722	0	59	0.0	-83.91	431.42	10.87	-73.04
C=CCSCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685723	0	53	0.0	-71.46	433.23	7.93	-63.53
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C	REAL300012685724	0	54	0.0	-71.39	402.41	9.52	-61.87
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2(OC)CCC2)[NH+](C)C)C=C1	REAL300012685725	0	56	0.0	-68.27	422.72	5.74	-62.53
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)[NH+](C)C)C=C1	REAL300012685726	0	52	0.0	-74.26	404.19	8.50	-65.76
COC1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685728	0	49	0.0	-73.33	380.88	8.06	-65.27
COC1=CC=C(C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685729	0	51	0.0	-60.77	390.74	8.80	-51.97
COC1=CC=C(C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685730	0	55	0.0	-80.95	410.41	8.61	-72.34
COC1=CC=C(C(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685731	0	59	0.0	-78.76	431.23	10.83	-67.93
COC1=CC=C(C(CNC(=O)NC(CCC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685732	0	57	0.0	-69.66	432.87	9.01	-60.65
COC1=CC=C(C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685733	0	56	0.0	-56.58	421.94	9.48	-47.10
COC1=CC=C(C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685734	0	56	0.0	-74.46	430.51	6.11	-68.35
COC1=CC=C(C(CNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685735	0	53	0.0	-76.78	417.49	9.16	-67.62
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)[NH+](C)C)C=C1	REAL300012685736	0	56	0.0	-76.38	413.70	8.64	-67.74
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)[NH+](C)C)C=C1	REAL300012685737	0	53	0.0	-74.53	398.12	7.99	-66.54
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)[NH+](C)C)C=C1	REAL300012685738	0	56	0.0	-72.62	419.28	8.40	-64.22
COC1=CC=C(C(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685739	0	58	0.0	-75.48	444.63	11.11	-64.37
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCC2)[NH+](C)C)C=C1	REAL300012685740	0	55	0.0	-76.09	419.05	7.77	-68.32
COC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)[NH+](C)C)C=C1	REAL300012685741	0	52	0.0	-71.49	405.14	5.30	-66.19
COC1=CC=C(C(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)[NH+](C)C)C=C1	REAL300012685742	0	52	0.0	-76.90	399.05	7.80	-69.10
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012685743	0	55	0.0	-63.20	432.44	10.88	-52.32
COC1=CC=C(C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685744	0	55	0.0	-57.53	416.26	8.62	-48.91
COC1=CC=C(C(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685745	0	52	0.0	-76.83	397.09	9.18	-67.65
COC1=CC=C(C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685746	0	49	0.0	-80.47	383.39	9.10	-71.37
COC1=CC=C(C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685747	0	52	0.0	-74.37	424.89	7.99	-66.38
COC1=CC=C(C(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685748	0	52	0.0	-69.93	400.86	9.61	-60.32
COC1=CC=C(C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685749	0	52	0.0	-74.37	424.89	7.99	-66.38
COC1=CC=C(C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685750	0	56	0.0	-78.99	413.33	9.34	-69.65
COCCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685751	0	55	0.0	-72.88	429.82	5.91	-66.97
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C	REAL300012685752	0	54	0.0	-72.62	407.41	8.82	-63.80
CCOCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012685753	0	52	0.0	-76.38	409.20	5.27	-71.11
COC1=CC=C(C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685754	0	57	0.0	-70.92	426.45	8.46	-62.46
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCO2)[NH+](C)C)C=C1	REAL300012685755	0	56	0.0	-73.14	426.39	6.61	-66.53
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)[NH+](C)C)C=C1	REAL300012685756	0	56	0.0	-73.52	430.06	9.33	-64.19
COC1=CC=C(C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012685757	0	53	0.0	-77.27	396.72	7.49	-69.78
COC1=CC=C(C(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+](C)C)C=C1	REAL300012685758	0	49	0.0	-71.72	393.17	7.45	-64.27
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)[NH+](C)C)C=C1	REAL300012685759	0	52	0.0	-66.90	408.62	8.75	-58.15
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CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685808	0	54	0.0	-65.59	397.48	7.82	-57.77
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CCC(CC)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685867	0	54	0.0	-68.92	387.45	8.08	-60.84
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685868	0	54	0.0	-46.73	396.61	10.24	-36.49
CCC(COC)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685869	0	55	0.0	-73.83	405.74	7.39	-66.44
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685870	0	58	0.0	-63.69	429.28	8.87	-54.82
O=C([O-])C(CC1CC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685871	0	52	0.0	-65.34	398.52	8.37	-56.97
COCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685872	0	52	0.0	-68.12	400.58	5.88	-62.24
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685873	0	57	0.0	-63.94	417.31	10.39	-53.55
O=C([O-])C(CC(F)F)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685874	0	48	0.0	-68.28	379.26	7.10	-61.18
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685875	0	58	0.0	-73.31	416.67	10.80	-62.51
CCCN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(C)C(=O)[O-]	REAL300012685876	0	54	0.0	-41.82	402.55	10.37	-31.45
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685877	0	58	0.0	-31.04	432.37	12.43	-18.61
CCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012685878	0	58	0.0	-69.98	427.85	10.57	-59.41
O=C([O-])C(CCF)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685879	0	48	0.0	-66.61	373.26	7.02	-59.59
COC1(CC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C(=O)[O-])CCC1	REAL300012685880	0	59	0.0	-70.04	438.86	7.86	-62.18
O=C([O-])CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1CCOCC1	REAL300012685881	0	56	0.0	-43.92	409.62	8.53	-35.39
O=C([O-])CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1CCCCC1	REAL300012685882	0	58	0.0	-55.00	421.84	11.29	-43.71
C[C@H]1CC[C@@](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)(C(=O)[O-])CC1	REAL300012685883	0	58	0.0	-72.73	410.36	9.38	-63.35
CC(CCF)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685884	0	51	0.0	-62.76	377.64	7.32	-55.44
O=C([O-])C1C2=C(CCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)OC=C2	REAL300012685885	0	53	0.0	-54.51	403.49	9.90	-44.61
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685886	0	49	0.0	-68.60	379.40	8.57	-60.03
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685887	0	48	0.0	-61.18	360.44	8.16	-53.02
CC1(C)CCCC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)(C(=O)[O-])C1	REAL300012685888	0	61	0.0	-73.57	427.55	10.25	-63.32
O=C([O-])C12CC(C1)CN2C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685889	0	50	0.0	-80.49	372.26	9.32	-71.17
COC1CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C(C)(C(=O)[O-])C1	REAL300012685890	0	56	0.0	-69.36	419.57	8.59	-60.77
O=C([O-])C(CC1CCCOC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685891	0	59	0.0	-67.35	438.30	7.65	-59.70
CC(C)(C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685892	0	54	0.0	-67.62	396.16	7.96	-59.66
C=C(Cl)CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685893	0	49	0.0	-62.68	395.38	7.94	-54.74
C=C(C)CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685894	0	52	0.0	-68.43	398.24	8.19	-60.24
O=C([O-])C12CCC(CC1)N2C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685895	0	53	0.0	-83.58	387.61	10.15	-73.43
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685896	0	49	0.0	-68.01	382.88	8.94	-59.07
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685897	0	49	0.0	-67.14	375.66	9.16	-57.98
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300012685898	0	50	0.0	-74.84	379.93	8.82	-66.02
O=C([O-])C(CC1CCOCC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685899	0	59	0.0	-68.34	433.93	8.36	-59.98
CC(C)C[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685900	0	54	0.0	-67.52	408.05	8.50	-59.02
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1CCOCC1	REAL300012685901	0	56	0.0	-70.64	410.84	6.68	-63.96
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1=CC=CC=C1	REAL300012685902	0	52	0.0	-66.51	403.05	8.88	-57.63
O=C([O-])C(CC1CC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685903	0	52	0.0	-65.34	398.52	8.37	-56.97
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685904	0	51	0.0	-63.44	411.06	7.01	-56.43
CC(C)CCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685905	0	60	0.0	-67.63	448.97	9.65	-57.98
O=C([O-])C(CC1CCCO1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685906	0	56	0.0	-72.02	423.11	7.20	-64.82
CSCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685907	0	49	0.0	-64.31	390.61	7.16	-57.15
COC[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685908	0	49	0.0	-69.10	382.04	5.42	-63.68
CC[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685909	0	48	0.0	-67.69	370.18	7.19	-60.50
CCC(C)CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685910	0	57	0.0	-68.52	423.46	8.77	-59.75
C=CCCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685911	0	55	0.0	-67.92	422.72	8.92	-59.00
O=C([O-])C1CSCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685912	0	50	0.0	-76.11	376.66	9.77	-66.34
CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012685913	0	55	0.0	-67.37	411.21	9.61	-57.76
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685914	0	49	0.0	-75.03	366.47	8.35	-66.68
CCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685915	0	51	0.0	-67.68	388.41	7.58	-60.10
CC(C)[C@@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685916	0	51	0.0	-62.29	381.62	7.60	-54.69
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685917	0	53	0.0	-80.76	386.08	10.36	-70.40
CCN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(C)(C)C(=O)[O-]	REAL300012685918	0	54	0.0	-71.36	391.45	9.57	-61.79
CCCN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(C)C(=O)[O-]	REAL300012685919	0	54	0.0	-41.82	402.55	10.37	-31.45
O=C([O-])CN(CC(F)(F)F)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685920	0	48	0.0	-61.42	379.17	9.12	-52.30
O=C([O-])CN(CC(F)(F)F)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685921	0	48	0.0	-61.42	379.17	9.12	-52.30
CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(C)(C)C(=O)[O-]	REAL300012685922	0	51	0.0	-71.27	372.18	8.69	-62.58
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685923	0	49	0.0	-72.48	365.68	8.73	-63.75
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685924	0	50	0.0	-77.03	381.26	5.37	-71.66
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685925	0	56	0.0	-66.12	421.18	11.88	-54.24
CCC[C@@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685926	0	51	0.0	-62.39	391.44	8.02	-54.37
O=C([O-])[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1=CC=CC=C1	REAL300012685927	0	52	0.0	-66.00	402.91	8.99	-57.01
C=CCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685928	0	52	0.0	-67.69	401.22	8.14	-59.55
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685929	0	51	0.0	-71.43	411.86	6.83	-64.60
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685930	1	52	0.0	-87.19	396.16	6.29	-80.90
CN1CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1=O	REAL300012685931	0	53	0.0	-66.40	391.74	7.70	-58.70
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685932	0	52	0.0	-73.07	382.19	9.27	-63.80
CC(C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685933	0	51	0.0	-63.17	381.61	7.47	-55.70
O=C([O-])[C@@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1=CC=CC=C1	REAL300012685934	0	52	0.0	-67.74	403.09	8.91	-58.83
CC(CN1C=CC=N1)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685935	0	55	0.0	-65.19	416.68	8.29	-56.90
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685936	0	48	0.0	-61.18	360.44	8.16	-53.02
CCC[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685937	0	51	0.0	-64.26	391.98	7.93	-56.33
CCN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(C)C(=O)[O-]	REAL300012685938	0	51	0.0	-62.43	374.33	8.65	-53.78
O=C([O-])CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1CCCC1	REAL300012685939	0	55	0.0	-54.68	404.45	10.58	-44.10
CC(CN(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685940	0	51	0.0	-74.71	379.19	8.58	-66.13
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685941	0	54	0.0	-65.59	397.48	7.82	-57.77
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685942	0	51	0.0	-61.97	377.84	8.86	-53.11
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC(CO)C1	REAL300012685943	0	53	0.0	-71.23	400.37	4.84	-66.39
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685944	0	61	0.0	-66.48	450.09	8.05	-58.43
CC1CCC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)(C(=O)[O-])C1	REAL300012685945	0	55	0.0	-70.05	403.05	8.58	-61.47
CC1(C)CCCC1(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685946	0	58	0.0	-72.17	412.46	9.28	-62.89
COCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685947	0	52	0.0	-68.12	400.58	5.88	-62.24
CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012685948	0	58	0.0	-65.31	434.13	11.85	-53.46
CC1(C)CC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)(C(=O)[O-])C1	REAL300012685949	0	55	0.0	-67.52	407.58	9.60	-57.92
CC1(C(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C(=O)[O-])CC1	REAL300012685950	0	52	0.0	-67.17	395.40	7.88	-59.29
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685951	0	61	0.0	-67.15	447.46	8.05	-59.10
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685952	0	50	0.0	-78.86	376.07	5.19	-73.67
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1CCOC1	REAL300012685953	0	53	0.0	-67.91	393.73	5.86	-62.05
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685954	0	53	0.0	-78.34	391.33	10.20	-68.14
O=C([O-])C12COC(CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C2	REAL300012685955	0	51	0.0	-72.89	382.90	7.94	-64.95
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300012685956	0	55	0.0	-78.19	397.78	10.64	-67.55
CC(C1=CC=CC=C1)C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685957	0	58	0.0	-64.62	440.92	10.14	-54.48
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685958	0	59	0.0	-68.64	435.13	10.62	-58.02
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1CCC1	REAL300012685959	0	52	0.0	-68.58	387.05	7.70	-60.88
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1CCCCC1	REAL300012685960	0	58	0.0	-69.83	420.65	9.03	-60.80
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1CCC1	REAL300012685961	0	52	0.0	-68.58	387.05	7.70	-60.88
CC1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1C(=O)[O-]	REAL300012685962	0	52	0.0	-69.25	390.36	9.40	-59.85
C=CCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685963	0	49	0.0	-67.02	379.95	7.34	-59.68
O=C([O-])C(CC1CCCCO1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685964	0	59	0.0	-68.67	440.30	8.01	-60.66
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685965	0	59	0.0	-40.13	413.22	10.53	-29.60
CC1(C)CC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)(C(=O)[O-])CCO1	REAL300012685966	0	59	0.0	-65.85	420.08	8.26	-57.59
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685967	0	53	0.0	-43.34	391.88	10.10	-33.24
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685968	0	59	0.0	-68.64	435.13	10.62	-58.02
COC1CC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)(C(=O)[O-])C1	REAL300012685969	0	53	0.0	-70.96	404.90	6.84	-64.12
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC(F)(F)C1	REAL300012685970	0	49	0.0	-71.93	376.47	7.56	-64.37
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)(C(=O)[O-])C1	REAL300012685971	0	53	0.0	-69.26	403.97	7.10	-62.16
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685972	0	55	0.0	-75.59	397.61	10.40	-65.19
O=C([O-])C(CC(F)(F)F)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685973	0	48	0.0	-61.06	382.60	7.59	-53.47
O=C([O-])C(CC1CCOC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685974	0	56	0.0	-71.02	420.72	6.82	-64.20
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)COC1	REAL300012685975	0	47	0.0	-66.32	358.87	4.57	-61.75
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685976	0	52	0.0	-66.36	416.40	8.90	-57.46
CC(C)C(C)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685977	0	54	0.0	-66.10	385.97	7.81	-58.29
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685978	0	50	0.0	-73.74	375.93	10.28	-63.46
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685979	0	53	0.0	-76.05	392.48	9.83	-66.22
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685980	0	58	0.0	-31.04	432.37	12.43	-18.61
O=C([O-])C(CC1CCCCC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685981	0	61	0.0	-68.69	447.23	10.04	-58.65
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685982	0	58	0.0	-68.78	451.59	10.97	-57.81
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685983	0	58	0.0	-64.93	451.57	11.01	-53.92
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1CC2CCC1C2	REAL300012685984	0	59	0.0	-65.01	432.47	9.83	-55.18
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685985	0	61	0.0	-66.99	447.00	10.05	-56.94
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685986	0	61	0.0	-65.62	446.46	10.03	-55.59
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685987	0	59	0.0	-40.91	428.10	10.63	-30.28
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685988	0	59	0.0	-76.57	426.84	10.85	-65.72
C=CCSCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685989	0	53	0.0	-63.72	424.64	8.69	-55.03
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685990	0	54	0.0	-63.21	391.34	9.61	-53.60
COC1(C(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C(=O)[O-])CCC1	REAL300012685991	0	56	0.0	-60.86	417.70	6.82	-54.04
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC(C(F)F)C1	REAL300012685992	0	52	0.0	-65.89	398.21	8.28	-57.61
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685994	0	49	0.0	-67.14	375.66	9.16	-57.98
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685995	0	51	0.0	-41.97	381.80	9.56	-32.41
CC1(C)CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1C(=O)[O-]	REAL300012685996	0	55	0.0	-71.31	405.32	9.72	-61.59
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685997	0	59	0.0	-73.00	425.48	11.76	-61.24
CC(C)CCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012685998	0	57	0.0	-67.98	427.47	8.88	-59.10
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012685999	0	56	0.0	-48.61	420.79	10.00	-38.61
O=C([O-])C(CC1CCOC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012686000	0	56	0.0	-71.02	420.72	6.82	-64.20
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300012686001	0	53	0.0	-72.69	409.04	9.93	-62.76
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CCCC2CC21	REAL300012686002	0	56	0.0	-71.64	402.27	9.67	-61.97
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CCC2CC21	REAL300012686003	0	53	0.0	-71.43	389.41	8.76	-62.67
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC2(CCC2)C1	REAL300012686004	0	56	0.0	-66.86	414.16	9.49	-57.37
CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012686005	0	58	0.0	-62.10	437.18	12.13	-49.97
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1CCCC1	REAL300012686006	0	55	0.0	-69.00	403.13	8.34	-60.66
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686007	0	52	0.0	-68.35	396.98	6.08	-62.27
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686008	0	52	0.0	-75.30	389.92	8.56	-66.74
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012686009	0	55	0.0	-44.03	423.85	11.63	-32.40
CC1(C)CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300012686010	0	55	0.0	-43.33	409.00	9.86	-33.47
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012686011	0	52	0.0	-76.16	387.85	9.84	-66.32
O=C([O-])C1N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CCC1(F)F	REAL300012686012	0	49	0.0	-79.39	377.40	8.88	-70.51
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012686013	0	52	0.0	-65.69	415.35	8.76	-56.93
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012686014	0	52	0.0	-66.12	394.85	9.39	-56.73
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012686015	0	52	0.0	-65.69	415.35	8.76	-56.93
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012686016	0	56	0.0	-76.96	408.44	10.25	-66.71
COCCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686017	0	55	0.0	-66.63	422.08	6.65	-59.98
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012686018	0	54	0.0	-62.63	399.60	9.71	-52.92
CCOCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686019	0	52	0.0	-68.81	400.62	6.03	-62.78
CC(C)(C)CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686020	0	57	0.0	-65.54	416.37	9.20	-56.34
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1CCCCO1	REAL300012686021	0	56	0.0	-65.84	419.15	7.31	-58.53
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC2=CC=CC=C2C1	REAL300012686022	0	56	0.0	-66.28	424.52	10.42	-55.86
C[C@H]1OCCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)[C@@H]1C(=O)[O-]	REAL300012686023	0	53	0.0	-76.20	388.10	8.32	-67.88
N#CCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686024	0	49	0.0	-70.40	387.76	7.32	-63.08
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012686025	0	52	0.0	-49.22	408.83	10.14	-39.08
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300012686026	0	48	0.0	-60.01	361.22	8.26	-51.75
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300012686027	0	56	0.0	-70.63	423.47	9.11	-61.52
CC(C)C[C@H](NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686028	1	47	0.0	-68.52	362.68	6.29	-62.23
C=CCOCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686029	1	46	0.0	-68.90	375.68	5.10	-63.80
C=CC(C)C(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686030	1	45	0.0	-71.60	360.60	6.46	-65.14
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CO1	REAL300012686031	1	49	0.0	-71.56	369.49	4.80	-66.76
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1=CC=CO1	REAL300012686032	1	45	0.0	-67.60	377.90	7.51	-60.09
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1=CC=CO1	REAL300012686033	1	45	0.0	-66.85	387.19	7.98	-58.87
COC1CCN(C(=O)NCC(C2=CC=CO2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012686034	1	49	0.0	-77.97	371.05	7.29	-70.68
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CC=CO1	REAL300012686035	1	49	0.0	-69.13	368.64	4.84	-64.29
CC1CCN(C(=O)NCC(C2=CC=CO2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012686036	1	48	0.0	-77.72	352.74	8.67	-69.05
CC1=CC(C(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300012686037	1	48	0.0	-69.29	391.34	8.11	-61.18
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1=CC=CO1	REAL300012686038	1	50	0.0	-70.98	396.83	6.86	-64.12
CC1=CC(C)=CC(C(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])=C1	REAL300012686039	1	51	0.0	-69.35	408.06	8.71	-60.64
CC1=CC=C(C(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])C=C1C	REAL300012686040	1	51	0.0	-72.84	403.02	8.62	-64.22
COC1=CC=C(C(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300012686041	1	49	0.0	-69.75	410.12	7.27	-62.48
CC1=CC=CC(C(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])=C1C	REAL300012686042	1	51	0.0	-69.05	389.96	8.03	-61.02
COC1=CC=C(C(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])C=C1F	REAL300012686043	1	49	0.0	-70.19	400.32	6.78	-63.41
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C1CCC1	REAL300012686044	1	48	0.0	-51.91	361.39	8.28	-43.63
CCCN(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012686045	1	51	0.0	-66.29	385.62	7.46	-58.83
CCCN(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012686046	1	50	0.0	-64.93	374.76	8.73	-56.20
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CO1	REAL300012686047	1	45	0.0	-82.70	334.55	8.24	-74.46
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=CO1	REAL300012686048	1	45	0.0	-66.15	377.02	7.56	-58.59
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CO1	REAL300012686049	1	43	0.0	-75.77	338.22	8.34	-67.43
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CO1	REAL300012686050	1	48	0.0	-75.91	354.20	7.16	-68.75
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CO1	REAL300012686051	1	45	0.0	-74.97	343.78	6.45	-68.52
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C1=CC=CO1	REAL300012686052	1	51	0.0	-76.62	363.95	8.21	-68.41
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CO1	REAL300012686053	1	48	0.0	-69.15	383.19	8.08	-61.07
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CO1	REAL300012686054	1	48	0.0	-58.13	385.99	10.12	-48.01
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012686055	1	45	0.0	-71.13	364.71	7.49	-63.64
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012686056	1	45	0.0	-72.65	365.19	7.37	-65.28
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CO1	REAL300012686057	1	48	0.0	-69.15	383.19	8.08	-61.07
CCC(C)C(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686058	1	47	0.0	-71.98	358.65	6.25	-65.73
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CO1	REAL300012686059	1	45	0.0	-82.70	334.55	8.24	-74.46
CCCC(C)(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686060	1	47	0.0	-66.53	354.70	6.44	-60.09
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686061	1	47	0.0	-52.29	358.84	7.86	-44.43
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1=CC=CO1	REAL300012686062	1	49	0.0	-79.70	376.43	10.46	-69.24
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=CO1	REAL300012686063	1	45	0.0	-72.48	342.40	6.45	-66.03
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1=CC=CO1	REAL300012686064	1	42	0.0	-69.27	352.55	6.11	-63.16
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CO1	REAL300012686065	1	48	0.0	-75.91	354.20	7.16	-68.75
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C1=CC=CO1	REAL300012686066	1	48	0.0	-44.84	398.41	10.27	-34.57
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1=CC=CO1	REAL300012686067	1	52	0.0	-70.97	412.23	8.03	-62.94
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686068	1	47	0.0	-65.25	359.29	6.33	-58.92
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CO1	REAL300012686069	1	45	0.0	-74.97	343.78	6.45	-68.52
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1=CC=CO1	REAL300012686070	1	48	0.0	-45.13	388.08	9.81	-35.32
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=CO1	REAL300012686071	1	49	0.0	-70.85	384.75	8.70	-62.15
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1=CC=CO1	REAL300012686072	1	45	0.0	-66.74	375.17	7.58	-59.16
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012686073	1	48	0.0	-73.14	372.40	8.15	-64.99
CCCCCCC(C)(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686074	1	56	0.0	-66.66	419.19	8.77	-57.89
CN(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012686075	1	51	0.0	-67.13	392.00	9.93	-57.20
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=CO1	REAL300012686076	1	45	0.0	-66.15	377.02	7.56	-58.59
C[NH+](C)C(CNC(=O)N1CCOCC1C(=O)[O-])C1=CC=CO1	REAL300012686077	1	43	0.0	-76.00	329.85	5.94	-70.06
CN(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300012686078	1	51	0.0	-69.59	366.99	8.86	-60.73
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CO1	REAL300012686079	1	51	0.0	-54.02	404.33	10.58	-43.44
CN(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012686080	1	48	0.0	-71.77	375.96	9.30	-62.47
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686081	1	45	0.0	-59.05	358.36	6.30	-52.75
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1=CC=CO1	REAL300012686082	1	49	0.0	-77.12	380.25	8.51	-68.61
C[NH+](C)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012686083	1	45	0.0	-78.44	338.76	8.20	-70.24
C[NH+](C)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CC=CO1	REAL300012686084	1	45	0.0	-70.49	344.60	7.79	-62.70
C[NH+](C)C(CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1=CC=CO1	REAL300012686085	1	52	0.0	-79.73	420.85	8.35	-71.38
C[NH+](C)C(CNC(=O)N1CCCCCC1C(=O)[O-])C1=CC=CO1	REAL300012686086	1	48	0.0	-75.80	352.70	8.58	-67.22
CCCCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686087	1	47	0.0	-66.43	371.82	6.91	-59.52
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CO1	REAL300012686088	1	51	0.0	-54.02	404.33	10.58	-43.44
C[NH+](C)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=CO1	REAL300012686089	1	45	0.0	-75.72	340.86	7.38	-68.34
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CO1	REAL300012686090	1	48	0.0	-57.78	363.05	8.71	-49.07
CCCCCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686091	1	50	0.0	-66.37	393.32	7.70	-58.67
CCC1CCC(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012686092	1	54	0.0	-75.47	397.35	8.80	-66.67
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=CO1	REAL300012686093	1	49	0.0	-52.75	367.70	6.70	-46.05
CN(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300012686094	1	48	0.0	-70.37	354.03	8.17	-62.20
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C1CC1	REAL300012686095	1	45	0.0	-53.94	345.14	7.77	-46.17
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C1CC1	REAL300012686096	1	48	0.0	-60.90	366.47	9.02	-51.88
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1=CC=CO1	REAL300012686097	1	45	0.0	-74.02	375.96	7.85	-66.17
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1=CC=CO1	REAL300012686098	1	45	0.0	-77.91	369.38	7.54	-70.37
C[NH+](C)C(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1=CC=CO1	REAL300012686099	1	49	0.0	-48.72	375.49	9.51	-39.21
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C1=CC=CO1	REAL300012686100	1	48	0.0	-72.17	398.26	8.30	-63.87
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C1=CC=CO1	REAL300012686101	1	54	0.0	-77.42	430.97	10.32	-67.10
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CO1	REAL300012686102	1	54	0.0	-71.67	404.81	8.24	-63.43
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686103	1	51	0.0	-59.71	397.00	10.98	-48.73
CC1=CC=C(C(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012686104	1	48	0.0	-68.65	386.65	8.05	-60.60
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CO1	REAL300012686105	1	41	0.0	-61.64	344.75	6.09	-55.55
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1=CC=CO1	REAL300012686106	1	51	0.0	-70.17	411.21	9.66	-60.51
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)C1=CC=CO1	REAL300012686107	1	46	0.0	-72.02	350.77	6.88	-65.14
COCC(C)(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686108	1	45	0.0	-70.83	351.45	4.97	-65.86
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686109	1	48	0.0	-65.58	372.06	6.71	-58.87
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686110	1	47	0.0	-52.29	358.84	7.86	-44.43
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686111	1	54	0.0	-55.79	406.65	10.66	-45.13
C[NH+](C)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1=CC=CO1	REAL300012686112	1	44	0.0	-59.41	366.62	8.25	-51.16
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CC=CO1	REAL300012686113	1	43	0.0	-66.78	334.58	3.82	-62.96
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CO1	REAL300012686114	1	51	0.0	-72.44	377.82	7.23	-65.21
CN(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300012686115	1	52	0.0	-69.47	393.73	7.80	-61.67
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1=CC=CO1	REAL300012686116	1	52	0.0	-47.57	405.26	10.71	-36.86
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)C1=CC=CO1	REAL300012686117	1	46	0.0	-75.29	344.50	4.70	-70.59
C=CCCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686118	1	45	0.0	-66.35	363.13	6.70	-59.65
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686119	1	51	0.0	-48.92	397.24	10.49	-38.43
CCC(CC)(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686120	1	47	0.0	-67.29	349.59	6.57	-60.72
COC1=CC=C(C(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012686121	1	49	0.0	-69.36	389.78	6.33	-63.03
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686122	1	47	0.0	-57.81	357.71	8.45	-49.36
CCC(COC)(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686123	1	48	0.0	-72.00	367.89	5.88	-66.12
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686124	1	51	0.0	-65.98	392.33	7.46	-58.52
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1=CC=CO1	REAL300012686125	1	48	0.0	-77.98	369.62	3.18	-74.80
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CO1	REAL300012686126	1	45	0.0	-68.74	356.36	6.50	-62.24
COCCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686127	1	45	0.0	-67.27	362.73	4.37	-62.90
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686128	1	50	0.0	-64.27	377.89	8.68	-55.59
C[NH+](C)C(CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CO1	REAL300012686129	1	41	0.0	-62.09	339.44	5.90	-56.19
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686130	1	51	0.0	-79.48	375.87	8.99	-70.49
CCCN(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012686131	1	47	0.0	-53.57	359.06	8.44	-45.13
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686132	1	51	0.0	-46.97	391.46	11.50	-35.47
CCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012686133	1	51	0.0	-70.92	402.42	9.21	-61.71
CCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012686134	1	51	0.0	-69.37	390.00	9.06	-60.31
COC1CCCC(C(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])C1	REAL300012686135	1	55	0.0	-76.54	410.27	6.23	-70.31
C[NH+](C)C(CNC(=O)NC(CCF)C(=O)[O-])C1=CC=CO1	REAL300012686136	1	41	0.0	-66.08	335.65	5.45	-60.63
COC1(CC(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012686137	1	52	0.0	-73.45	396.67	6.00	-67.45
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=CO1	REAL300012686138	1	49	0.0	-52.75	367.70	6.70	-46.05
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C1=CC=CO1	REAL300012686139	1	51	0.0	-45.94	376.42	9.02	-36.92
C[C@H]1CC[C@@](NC(=O)NCC(C2=CC=CO2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012686140	1	51	0.0	-75.66	372.07	7.93	-67.73
COC1=CC=CC(C(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])=C1	REAL300012686141	1	49	0.0	-73.93	390.44	6.31	-67.62
C[NH+](C)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CC=CO1	REAL300012686142	1	44	0.0	-63.54	339.79	5.81	-57.73
C[NH+](C)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1=CC=CO1	REAL300012686143	1	46	0.0	-62.72	362.70	8.00	-54.72
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012686144	1	42	0.0	-68.57	342.89	6.97	-61.60
COC1=CC=CC([C@H](NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])=C1	REAL300012686145	1	49	0.0	-72.61	390.42	6.30	-66.31
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+](C)C)C1	REAL300012686146	1	51	0.0	-77.39	393.39	9.15	-68.24
COC1=CC=CC(CC(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])=C1	REAL300012686147	1	52	0.0	-72.36	416.94	7.62	-64.74
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1=CC=CO1	REAL300012686148	1	54	0.0	-77.16	386.12	8.45	-68.71
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC=CO1	REAL300012686149	1	43	0.0	-78.65	332.62	7.83	-70.82
C[NH+](C)C(CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1=CC=CO1	REAL300012686150	1	51	0.0	-67.44	403.28	8.73	-58.71
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C1=CC=CO1	REAL300012686151	1	50	0.0	-77.92	396.96	8.48	-69.44
COC1CN(C(=O)NCC(C2=CC=CO2)[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012686152	1	49	0.0	-79.15	373.91	6.37	-72.78
C[NH+](C)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1=CC=CO1	REAL300012686153	1	52	0.0	-67.77	396.39	5.84	-61.93
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC=CO1	REAL300012686154	1	47	0.0	-65.37	358.89	6.52	-58.85
C=C(Cl)CC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686155	1	42	0.0	-62.64	357.29	6.50	-56.14
C=C(C)CC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686156	1	45	0.0	-67.78	362.21	6.62	-61.16
C[NH+](C)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CC=CO1	REAL300012686157	1	46	0.0	-86.37	345.21	8.33	-78.04
C[NH+](C)C(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CO1	REAL300012686158	1	51	0.0	-68.17	392.96	8.28	-59.89
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1=CC=CO1	REAL300012686159	1	42	0.0	-72.08	341.53	7.09	-64.99
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CO1	REAL300012686160	1	42	0.0	-76.81	334.32	7.31	-69.50
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+](C)C)C1	REAL300012686161	1	43	0.0	-78.65	337.91	6.97	-71.68
C[NH+](C)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1=CC=CO1	REAL300012686162	1	52	0.0	-73.98	399.69	6.13	-67.85
CC(C)C[C@H](NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686163	1	47	0.0	-68.52	362.68	6.29	-62.23
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CO1	REAL300012686164	1	49	0.0	-71.56	369.49	4.80	-66.76
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012686165	1	45	0.0	-72.65	365.19	7.37	-65.28
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1=CC=CO1	REAL300012686166	1	48	0.0	-71.95	403.94	8.36	-63.59
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CO1	REAL300012686167	1	45	0.0	-68.74	356.36	6.50	-62.24
C[NH+](C)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1=CC=CO1	REAL300012686168	1	44	0.0	-66.82	368.89	5.13	-61.69
CC(C)CCCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686169	1	53	0.0	-66.98	411.13	8.15	-58.83
C[NH+](C)C(CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1=CC=CO1	REAL300012686170	1	51	0.0	-66.95	417.36	8.73	-58.22
C[NH+](C)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C1=CC=CO1	REAL300012686171	1	49	0.0	-75.03	380.71	5.39	-69.64
CSCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686172	1	42	0.0	-64.39	352.52	5.72	-58.67
C[NH+](C)C(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CO1	REAL300012686173	1	48	0.0	-71.23	393.58	8.40	-62.83
CCC(C)CC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686174	1	50	0.0	-67.72	384.91	7.28	-60.44
C=CCCCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686175	1	48	0.0	-67.15	384.87	7.43	-59.72
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CO1	REAL300012686176	1	48	0.0	-69.46	389.54	8.03	-61.43
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C1=CC=CO1	REAL300012686177	1	51	0.0	-74.50	404.64	9.58	-64.92
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CO1	REAL300012686178	1	43	0.0	-75.77	338.22	8.34	-67.43
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012686179	1	48	0.0	-73.14	372.40	8.15	-64.99
C[NH+](C)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CC=CO1	REAL300012686180	1	46	0.0	-80.08	349.14	8.86	-71.22
CCN(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012686181	1	47	0.0	-69.85	353.30	8.05	-61.80
CCCN(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012686182	1	47	0.0	-53.57	359.06	8.44	-45.13
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CO1	REAL300012686183	1	41	0.0	-66.51	343.68	7.18	-59.33
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CO1	REAL300012686184	1	41	0.0	-66.51	343.68	7.18	-59.33
C[NH+](C)C(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1=CC=CO1	REAL300012686185	1	54	0.0	-47.93	411.02	5.23	-42.70
C[NH+](C)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012686186	1	43	0.0	-77.49	335.77	3.17	-74.32
CN(C)C(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CO1	REAL300012686187	0	58	0.0	-60.83	434.25	5.11	-55.72
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686188	1	49	0.0	-74.69	377.74	10.90	-63.79
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC(C2=CC=CO2)[NH+](C)C)[C@H]1C(=O)[O-]	REAL300012686189	1	52	0.0	-63.54	390.89	10.39	-53.15
C[NH+](C)C(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C1=CC=CO1	REAL300012686190	1	50	0.0	-72.35	384.75	8.53	-63.82
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012686191	1	45	0.0	-71.13	364.71	7.49	-63.64
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1=CC=CO1	REAL300012686192	1	48	0.0	-64.86	403.97	8.38	-56.48
C[NH+](C)C(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1=CC=CO1	REAL300012686193	1	50	0.0	-69.34	405.35	7.32	-62.02
C=CCCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686194	1	45	0.0	-66.35	363.13	6.70	-59.65
C[NH+](C)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1=CC=CO1	REAL300012686195	1	44	0.0	-71.32	369.95	5.02	-66.30
C[NH+](C)C(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1=CC=CO1	REAL300012686196	1	45	0.0	-66.00	389.22	6.77	-59.23
C[NH+](C)C(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1=CC=CO1	REAL300012686197	1	45	0.0	-83.82	357.32	4.81	-79.01
CN1CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+](C)C)CC1=O	REAL300012686198	1	46	0.0	-70.36	356.15	6.48	-63.88
C[NH+](C)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=CO1	REAL300012686199	1	45	0.0	-77.72	344.66	7.79	-69.93
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300012686200	1	45	0.0	-69.13	360.28	7.04	-62.09
C[NH+](C)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1=CC=CO1	REAL300012686201	1	48	0.0	-70.46	374.67	6.72	-63.74
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CO1	REAL300012686202	1	48	0.0	-57.78	363.05	8.71	-49.07
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686203	1	47	0.0	-65.25	359.29	6.33	-58.92
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CC=CO1	REAL300012686204	1	46	0.0	-74.86	362.17	3.32	-71.54
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686205	1	54	0.0	-69.87	407.88	6.20	-63.67
CC1CCC(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)(C(=O)[O-])C1	REAL300012686206	1	48	0.0	-75.80	360.82	6.68	-69.12
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1=CC=CO1	REAL300012686207	1	51	0.0	-76.42	374.59	7.78	-68.64
COCCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686208	1	45	0.0	-67.27	362.73	4.37	-62.90
CN(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012686209	1	51	0.0	-67.13	392.00	9.93	-57.20
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CC=CO1	REAL300012686210	1	48	0.0	-76.23	366.33	7.76	-68.47
CC1CCC(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)(C(=O)[O-])C2=CC=CC=C21	REAL300012686211	1	55	0.0	-75.01	409.56	9.32	-65.69
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=CO1	REAL300012686212	1	45	0.0	-72.83	346.21	6.28	-66.55
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686213	1	54	0.0	-73.77	412.29	6.65	-67.12
C[NH+](C)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012686214	1	43	0.0	-76.30	338.26	3.73	-72.57
C[NH+](C)C(CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1=CC=CO1	REAL300012686215	1	53	0.0	-60.64	406.45	10.97	-49.67
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CC=CO1	REAL300012686216	1	46	0.0	-71.93	355.55	4.37	-67.56
C[NH+](C)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CC=CO1	REAL300012686217	1	46	0.0	-75.78	349.67	8.37	-67.41
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1=CC=CO1	REAL300012686218	1	49	0.0	-80.46	392.83	7.09	-73.37
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CC=CO1	REAL300012686219	1	44	0.0	-78.50	343.28	6.05	-72.45
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+](C)C)C1	REAL300012686220	1	48	0.0	-78.72	359.53	9.13	-69.59
CC(C1=CC=CC=C1)C(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686221	1	51	0.0	-67.09	398.58	8.33	-58.76
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CO1	REAL300012686222	1	52	0.0	-68.17	393.22	8.80	-59.37
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CO1	REAL300012686223	1	45	0.0	-72.10	344.89	5.83	-66.27
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1=CC=CO1	REAL300012686224	1	58	0.0	-74.82	422.15	8.18	-66.64
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CO1	REAL300012686225	1	51	0.0	-72.44	377.82	7.23	-65.21
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CO1	REAL300012686226	1	45	0.0	-72.10	344.89	5.83	-66.27
CC1CCN(C(=O)NCC(C2=CC=CO2)[NH+](C)C)C1C(=O)[O-]	REAL300012686227	1	45	0.0	-79.90	349.16	7.53	-72.37
C[NH+](C)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=CO1	REAL300012686228	1	52	0.0	-72.90	398.96	6.13	-66.77
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1=CC=CO1	REAL300012686229	1	52	0.0	-49.28	377.51	8.65	-40.63
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1=CC=CO1	REAL300012686230	1	52	0.0	-68.71	378.46	6.40	-62.31
CC1=CC=CC2=C1CCN(C(=O)NCC(C1=CC=CO1)[NH+](C)C)C2C(=O)[O-]	REAL300012686231	1	52	0.0	-83.89	392.45	10.85	-73.04
C[NH+](C)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CC=CO1	REAL300012686232	1	46	0.0	-51.15	353.75	7.85	-43.30
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CO1	REAL300012686233	1	52	0.0	-68.17	393.22	8.80	-59.37
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CO1	REAL300012686234	1	48	0.0	-71.62	389.60	8.15	-63.47
COC1CC(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)(C(=O)[O-])C1	REAL300012686235	1	46	0.0	-74.33	363.52	5.00	-69.33
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1=CC=CO1	REAL300012686236	1	42	0.0	-75.48	333.11	5.71	-69.77
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=CO2)[NH+](C)C)(C(=O)[O-])C1	REAL300012686237	1	46	0.0	-66.19	361.49	4.91	-61.28
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1=CC=CO1	REAL300012686238	1	45	0.0	-60.89	370.27	6.72	-54.17
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686239	1	48	0.0	-79.19	354.38	8.25	-70.94
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CO1	REAL300012686240	1	41	0.0	-61.64	344.75	6.09	-55.55
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CO1	REAL300012686241	1	49	0.0	-70.67	376.74	4.71	-65.96
C[NH+](C)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=CO1	REAL300012686242	1	45	0.0	-73.31	375.30	7.06	-66.25
COCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012686243	1	52	0.0	-67.90	406.21	7.39	-60.51
CC(C)C(C)(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686244	1	47	0.0	-72.48	348.12	6.30	-66.18
C[NH+](C)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012686245	1	43	0.0	-78.29	333.95	8.35	-69.94
C[NH+](C)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012686246	1	46	0.0	-79.79	350.73	7.83	-71.96
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686247	1	51	0.0	-46.97	391.46	11.50	-35.47
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CO1	REAL300012686248	1	54	0.0	-71.67	404.81	8.24	-63.43
C[NH+](C)C(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=CO1	REAL300012686249	1	51	0.0	-65.77	409.34	9.13	-56.64
C[NH+](C)C(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=CO1	REAL300012686250	1	51	0.0	-72.07	409.93	9.18	-62.89
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1=CC=CO1	REAL300012686251	1	52	0.0	-72.08	385.20	7.61	-64.47
C[NH+](C)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1=CC=CO1	REAL300012686252	1	54	0.0	-72.11	408.86	8.60	-63.51
C[NH+](C)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1=CC=CO1	REAL300012686253	1	54	0.0	-69.69	405.09	8.14	-61.55
C[NH+](C)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1=CC=CO1	REAL300012686254	1	52	0.0	-51.64	392.62	8.79	-42.85
C[NH+](C)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012686255	1	52	0.0	-80.46	386.35	8.93	-71.53
COC1=CC=C(CC(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012686256	1	52	0.0	-72.50	412.86	7.30	-65.20
C=CCSCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686257	1	46	0.0	-64.30	386.80	7.19	-57.11
C[NH+](C)C(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C1=CC=CO1	REAL300012686258	1	49	0.0	-73.52	404.18	8.40	-65.12
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686259	1	47	0.0	-64.65	353.77	8.11	-56.54
COC1(C(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012686260	1	49	0.0	-65.92	372.43	4.58	-61.34
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C1=CC=CO1	REAL300012686261	1	51	0.0	-72.57	389.91	8.33	-64.24
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C1=CC=CO1	REAL300012686262	1	52	0.0	-70.95	396.54	9.44	-61.51
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1=CC=CO1	REAL300012686263	1	45	0.0	-70.39	360.01	6.77	-63.62
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1=CC=CO1	REAL300012686265	1	57	0.0	-68.78	436.49	9.36	-59.42
CC(C)C1=CC=C(C(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012686266	1	54	0.0	-68.87	420.52	8.97	-59.90
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CO1	REAL300012686267	1	42	0.0	-76.81	334.32	7.31	-69.50
C[NH+](C)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CC=CO1	REAL300012686268	1	44	0.0	-41.55	343.62	8.06	-33.49
C[NH+](C)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CC=CO1	REAL300012686269	1	48	0.0	-77.39	356.07	7.79	-69.60
CCOC1=CC=C(C(NC(=O)NCC(C2=CC=CO2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012686270	1	52	0.0	-69.29	411.64	7.27	-62.02
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1=CC=CO1	REAL300012686271	1	52	0.0	-78.37	384.28	9.91	-68.46
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C1=CC=CO1	REAL300012686272	1	52	0.0	-72.34	405.38	9.30	-63.04
C[NH+](C)C(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1=CC=CO1	REAL300012686273	1	52	0.0	-72.93	407.65	8.43	-64.50
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1=CC=CO1	REAL300012686274	1	48	0.0	-74.59	397.15	7.94	-66.65
CC(C)CCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686275	1	50	0.0	-67.18	389.63	7.38	-59.80
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1=CC=CO1	REAL300012686276	1	49	0.0	-51.38	377.72	8.25	-43.13
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CO1	REAL300012686277	1	49	0.0	-70.67	376.74	4.71	-65.96
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+](C)C)C1	REAL300012686278	1	46	0.0	-76.48	370.90	8.40	-68.08
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1=CC=CO1	REAL300012686279	1	49	0.0	-78.52	364.42	8.16	-70.36
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CC=CO1	REAL300012686280	1	46	0.0	-77.86	347.49	6.94	-70.92
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1=CC=CO1	REAL300012686281	1	49	0.0	-75.23	372.63	7.63	-67.60
CN(C(=O)NCC(C1=CC=CO1)[NH+](C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012686282	1	51	0.0	-71.50	392.26	9.97	-61.53
C[NH+](C)C(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1=CC=CO1	REAL300012686283	1	55	0.0	-51.70	406.88	9.26	-42.44
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CC=CO1	REAL300012686284	1	48	0.0	-71.59	360.92	6.53	-65.06
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686285	1	45	0.0	-65.67	358.64	4.64	-61.03
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686286	1	45	0.0	-76.61	347.93	6.71	-69.90
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CO1	REAL300012686287	1	48	0.0	-58.13	385.99	10.12	-48.01
C[NH+](C)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CC=CO1	REAL300012686288	1	48	0.0	-42.37	369.77	7.98	-34.39
C[NH+](C)C(CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C1=CC=CO1	REAL300012686289	1	49	0.0	-54.57	388.02	9.49	-45.08
C[NH+](C)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1=CC=CO1	REAL300012686290	1	45	0.0	-76.63	350.14	8.31	-68.32
C[NH+](C)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1=CC=CO1	REAL300012686291	1	42	0.0	-82.73	339.47	7.35	-75.38
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CO1	REAL300012686292	1	48	0.0	-71.62	389.60	8.15	-63.47
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CO1	REAL300012686293	1	45	0.0	-67.40	378.39	7.24	-60.16
C[NH+](C)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1=CC=CO1	REAL300012686294	1	45	0.0	-71.49	352.94	7.57	-63.92
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1=CC=CO1	REAL300012686295	1	49	0.0	-74.44	388.19	7.74	-66.70
C[NH+](C)C(CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1=CC=CO1	REAL300012686296	1	53	0.0	-69.12	415.62	9.68	-59.44
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CO1	REAL300012686297	1	45	0.0	-67.40	378.39	7.24	-60.16
C[NH+](C)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012686298	1	49	0.0	-80.26	365.34	8.34	-71.92
COCCCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686299	1	48	0.0	-66.80	384.23	5.14	-61.66
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300012686300	1	47	0.0	-64.39	362.04	8.21	-56.18
CCOCC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300012686301	1	45	0.0	-68.09	362.64	4.58	-63.51
C[NH+](C)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CC=CO1	REAL300012686302	1	50	0.0	-73.20	379.63	7.70	-65.50
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C1=CC=CO1	REAL300012686303	1	49	0.0	-72.71	373.49	5.10	-67.61
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=CO1	REAL300012686304	1	49	0.0	-70.85	384.75	8.70	-62.15
C[C@H]1OCCN(C(=O)NCC(C2=CC=CO2)[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012686305	1	46	0.0	-80.64	346.07	6.40	-74.24
C[NH+](C)C(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1=CC=CO1	REAL300012686306	1	48	0.0	-67.40	369.68	8.24	-59.16
C[NH+](C)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CC=CO1	REAL300012686307	1	42	0.0	-68.59	349.92	5.81	-62.78
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1=CC=CO1	REAL300012686308	1	59	0.0	-69.59	421.32	9.44	-60.15
C[NH+](C)C(CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C1=CC=CO1	REAL300012686309	1	51	0.0	-71.93	417.40	8.56	-63.37
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1=CC=CO1	REAL300012686310	1	45	0.0	-47.91	363.34	7.89	-40.02
C[NH+](C)C(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1=CC=CO1	REAL300012686311	1	56	0.0	-76.56	403.78	8.65	-67.91
C[NH+](C)C(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1=CC=CO1	REAL300012686312	1	47	0.0	-65.17	395.23	6.64	-58.53
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+](C)C)C1	REAL300012686313	1	49	0.0	-70.73	381.94	7.25	-63.48
CC(C)C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686314	0	58	0.0	-73.91	401.73	7.46	-66.45
C=CCOCC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686315	0	57	0.0	-66.70	413.30	5.07	-61.63
C=CC(C)C(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686316	0	56	0.0	-66.37	392.25	6.15	-60.22
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CCOCC1	REAL300012686317	0	60	0.0	-71.70	416.71	5.33	-66.37
COC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C(C(=O)[O-])C1	REAL300012686318	1	60	0.0	-84.06	403.69	8.11	-75.95
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CCCOC1	REAL300012686319	0	60	0.0	-69.77	407.74	5.91	-63.86
CC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C(C(=O)[O-])C1	REAL300012686320	1	59	0.0	-84.46	394.47	9.87	-74.59
CCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686321	1	55	0.0	-53.65	386.11	7.84	-45.81
CC(C(=O)[O-])N(C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CCC1	REAL300012686322	1	59	0.0	-57.12	398.09	8.14	-48.98
CCCN(C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(COC)C(=O)[O-]	REAL300012686323	1	62	0.0	-63.64	424.37	7.53	-56.11
CCCN(C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(CC)C(=O)[O-]	REAL300012686324	1	61	0.0	-62.75	411.49	8.68	-54.07
CC(C)C(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686325	0	55	0.0	-70.62	379.37	5.60	-65.02
O=C([O-])C1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686326	1	56	0.0	-84.21	373.55	9.24	-74.97
O=C([O-])C1CSCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686327	1	54	0.0	-79.53	376.83	8.39	-71.14
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCCC1	REAL300012686328	0	59	0.0	-69.90	395.85	7.46	-62.44
O=C([O-])C1CCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686329	1	53	0.0	-77.78	365.11	7.16	-70.62
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCC1	REAL300012686330	0	56	0.0	-69.96	381.34	6.37	-63.59
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCCCC1	REAL300012686331	0	62	0.0	-70.83	401.51	8.14	-62.69
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686332	0	59	0.0	-72.62	425.05	8.30	-64.32
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686333	1	59	0.0	-53.08	423.61	10.09	-42.99
O=C([O-])[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1=CC=CC=C1	REAL300012686334	0	56	0.0	-71.49	399.22	8.25	-63.24
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1=CC=CC=C1	REAL300012686335	0	56	0.0	-71.55	399.18	8.25	-63.30
CCC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686336	0	52	0.0	-64.72	366.44	5.34	-59.38
CC(C)C(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686337	0	55	0.0	-70.62	379.37	5.60	-65.02
CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686338	1	49	0.0	-64.90	342.80	6.11	-58.79
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686339	0	59	0.0	-72.62	425.05	8.30	-64.32
CC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686340	0	49	0.0	-57.04	344.85	4.26	-52.78
CCC(C)C(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686341	0	58	0.0	-69.23	398.88	6.43	-62.80
CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686342	1	49	0.0	-64.90	342.80	6.11	-58.79
O=C([O-])C1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686343	1	56	0.0	-84.21	373.55	9.24	-74.97
CCCC(C)(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686344	0	58	0.0	-65.17	392.32	6.41	-58.76
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686345	1	55	0.0	-54.59	374.81	7.37	-47.22
O=C([O-])CN(C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1	REAL300012686346	1	53	0.0	-59.91	363.72	8.29	-51.62
C=CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686347	1	53	0.0	-53.26	377.43	7.65	-45.61
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686348	1	58	0.0	-53.11	400.52	8.15	-44.96
CC(C)(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686349	0	52	0.0	-56.37	357.43	4.66	-51.71
CC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)(C(=O)[O-])C1CC1	REAL300012686350	0	56	0.0	-71.18	380.27	6.41	-64.77
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1=CC=CS1	REAL300012686351	0	53	0.0	-67.79	393.84	6.46	-61.33
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCCC1	REAL300012686352	0	59	0.0	-69.90	395.85	7.46	-62.44
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686353	1	55	0.0	-54.59	374.81	7.37	-47.22
CCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686354	1	55	0.0	-53.65	386.11	7.84	-45.81
CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686355	1	52	0.0	-64.96	364.61	7.09	-57.87
CC[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686356	0	58	0.0	-74.25	393.80	7.10	-67.15
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCC1	REAL300012686357	0	56	0.0	-69.96	381.34	6.37	-63.59
CCC(C)(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686358	0	55	0.0	-64.97	370.82	5.65	-59.32
CC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012686359	0	59	0.0	-75.19	407.71	8.96	-66.23
C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686360	0	49	0.0	-58.69	344.69	4.28	-54.41
CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686361	1	52	0.0	-64.96	364.61	7.09	-57.87
CCCCCCC(C)(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686362	0	67	0.0	-65.24	456.82	8.74	-56.50
C[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686363	0	49	0.0	-61.15	341.44	5.08	-56.07
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	REAL300012686364	0	50	0.0	-73.08	350.65	5.46	-67.62
O=C([O-])C1COCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686365	1	54	0.0	-75.51	367.85	5.78	-69.73
CN(C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1(C(=O)[O-])CCCCC1	REAL300012686366	1	62	0.0	-71.50	405.11	8.80	-62.70
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1	REAL300012686367	0	53	0.0	-65.38	370.91	5.76	-59.62
CN(C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012686368	1	59	0.0	-74.49	411.47	9.34	-65.15
COCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686369	1	56	0.0	-53.81	395.99	6.27	-47.54
O=C([O-])[C@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686370	1	53	0.0	-77.97	362.80	7.70	-70.27
O=C([O-])[C@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686371	1	56	0.0	-78.08	375.89	8.18	-69.90
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686372	1	52	0.0	-66.90	353.25	7.01	-59.89
O=C([O-])[C@@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686373	1	53	0.0	-81.25	362.04	8.01	-73.24
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C=CCC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686375	0	53	0.0	-65.01	379.96	5.74	-59.27
CC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686376	1	56	0.0	-81.28	379.19	8.57	-72.71
O=C([O-])C1CCCCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686377	1	59	0.0	-78.13	391.22	9.05	-69.08
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1	REAL300012686378	0	53	0.0	-65.38	370.91	5.76	-59.62
CC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686379	1	52	0.0	-61.62	357.71	6.34	-55.28
CCCCC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686380	0	58	0.0	-64.63	409.44	6.89	-57.74
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686381	1	56	0.0	-81.33	379.10	8.57	-72.76
O=C([O-])CN(C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CCCC1	REAL300012686382	1	59	0.0	-52.84	400.95	8.66	-44.18
COCC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686383	0	53	0.0	-66.17	378.54	3.52	-62.65
CCCCCC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686384	0	61	0.0	-64.56	430.94	7.67	-56.89
CCC1CCC(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)(C(=O)[O-])CC1	REAL300012686385	0	65	0.0	-75.36	435.27	8.74	-66.62
O=C([O-])CN(C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CCOCC1	REAL300012686386	1	60	0.0	-53.45	409.39	6.99	-46.46
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CCCN(C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(C)C(=O)[O-]	REAL300012686416	1	58	0.0	-62.34	395.58	7.76	-54.58
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COC1(CC(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C(=O)[O-])CCC1	REAL300012686418	0	63	0.0	-67.07	438.36	6.37	-60.70
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CC(CN1C=CC=N1)(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686471	0	59	0.0	-73.87	413.12	7.56	-66.31
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686472	1	52	0.0	-68.95	353.80	7.06	-61.89
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O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC(F)(F)C1	REAL300012686504	0	53	0.0	-70.29	375.89	6.02	-64.27
CO[C@H]1C[C@](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)(C(=O)[O-])C1	REAL300012686505	0	57	0.0	-66.71	399.27	4.86	-61.85
CCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686506	1	59	0.0	-84.11	395.25	9.87	-74.24
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686507	0	52	0.0	-60.11	382.62	5.98	-54.13
O=C([O-])C(CC1CCOC1)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686508	0	60	0.0	-72.52	421.41	5.34	-67.18
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)COC1	REAL300012686509	0	51	0.0	-65.69	358.29	3.01	-62.68
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O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686512	1	54	0.0	-79.74	372.38	8.36	-71.38
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686513	1	57	0.0	-79.54	385.36	8.68	-70.86
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686514	0	65	0.0	-71.35	447.01	8.49	-62.86
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC2CCC1C2	REAL300012686515	0	63	0.0	-72.89	426.09	8.87	-64.02
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686516	0	65	0.0	-70.48	443.31	9.43	-61.05
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686517	0	65	0.0	-74.26	442.78	9.32	-64.94
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686518	1	63	0.0	-38.42	426.98	9.16	-29.26
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686519	1	63	0.0	-75.43	422.65	8.93	-66.50
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CCC(C(=O)[O-])N(CC)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686521	1	58	0.0	-62.51	390.89	7.98	-54.53
COC1(C(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C(=O)[O-])CCC1	REAL300012686522	0	60	0.0	-66.48	413.86	4.92	-61.56
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC(C(F)F)C1	REAL300012686523	0	56	0.0	-77.73	400.06	6.80	-70.93
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686525	1	53	0.0	-78.88	368.52	8.10	-70.78
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686526	1	55	0.0	-38.42	381.01	7.96	-30.46
CC1(C)CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1C(=O)[O-]	REAL300012686527	1	59	0.0	-79.10	399.42	7.95	-71.15
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686528	1	63	0.0	-80.31	420.69	10.08	-70.23
CC(C)CCC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686529	0	61	0.0	-65.35	427.25	7.35	-58.00
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686530	1	60	0.0	-37.69	413.19	8.64	-29.05
O=C([O-])C(CC1CCOC1)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686531	0	60	0.0	-72.52	421.41	5.34	-67.18
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300012686532	1	57	0.0	-75.79	408.37	8.35	-67.44
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCC2CC21	REAL300012686533	0	60	0.0	-77.57	402.03	8.14	-69.43
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCC2CC21	REAL300012686534	0	57	0.0	-80.21	385.69	8.06	-72.15
O=C([O-])C1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC2(CCC2)C1	REAL300012686535	0	60	0.0	-74.41	407.05	8.44	-65.97
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CCCC1	REAL300012686536	0	59	0.0	-65.47	402.85	6.86	-58.61
CO[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686537	0	56	0.0	-70.80	396.20	4.52	-66.28
CC1[C@@H](C)[C@@]1(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686538	0	56	0.0	-74.23	380.93	6.58	-67.65
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686539	1	59	0.0	-53.08	423.61	10.09	-42.99
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300012686540	1	59	0.0	-41.66	392.12	8.31	-33.35
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686541	1	56	0.0	-76.81	387.43	8.26	-68.55
O=C([O-])C1N(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCC1(F)F	REAL300012686542	1	53	0.0	-85.32	373.71	8.18	-77.14
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686543	0	56	0.0	-71.47	415.93	7.21	-64.26
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686544	1	56	0.0	-70.14	394.62	7.85	-62.29
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686545	0	56	0.0	-71.47	415.93	7.21	-64.26
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686546	1	60	0.0	-80.30	404.40	8.56	-71.74
COCCCC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686547	0	59	0.0	-64.90	421.86	5.12	-59.78
CCCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686548	1	58	0.0	-62.16	399.15	8.08	-54.08
CCOCC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686549	0	56	0.0	-66.02	400.26	4.54	-61.48
CC(C)(C)CC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686550	0	61	0.0	-71.41	417.56	7.67	-63.74
O=C([O-])C(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CCCCO1	REAL300012686551	0	60	0.0	-77.09	413.76	6.24	-70.85
C[C@H]1OCCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H]1C(=O)[O-]	REAL300012686552	1	57	0.0	-82.42	384.99	7.68	-74.74
N#CCCC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300012686553	0	53	0.0	-67.02	387.54	5.79	-61.23
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686554	1	56	0.0	-53.97	405.27	8.23	-45.74
C[C@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300012686555	1	52	0.0	-66.90	353.25	7.01	-59.89
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300012686556	1	60	0.0	-77.76	416.39	8.05	-69.71
COC1=CC=C(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686557	0	61	0.0	-66.64	455.43	9.32	-57.32
C=CC(C)C(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686558	0	59	0.0	-69.94	435.02	8.48	-61.46
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1	REAL300012686559	0	58	0.0	-46.64	429.64	10.12	-36.52
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]2CCCCC2)C=C1	REAL300012686560	0	58	0.0	-69.82	422.33	7.89	-61.93
COC1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686561	0	59	0.0	-79.71	420.51	10.73	-68.98
COC1=CC=C(C(CNC(=O)N2CCCC2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686562	0	56	0.0	-74.17	408.96	9.47	-64.70
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+]2CCCCC2)C=C1	REAL300012686563	0	59	0.0	-69.07	431.88	9.03	-60.04
COC1=CC=C(C(CNC(=O)NCC(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686564	0	49	0.0	-58.35	367.60	5.71	-52.64
CCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686565	0	55	0.0	-67.67	410.21	7.57	-60.10
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]2CCCCC2)C=C1	REAL300012686566	0	58	0.0	-69.82	422.33	7.89	-61.93
COC1=CC=C(C(CNC(=O)N(C)CC(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686567	0	52	0.0	-68.90	386.33	8.38	-60.52
COC1=CC=C(C(CNC(=O)NC(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686568	0	52	0.0	-58.36	388.22	6.57	-51.79
CCC(C)C(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686569	0	61	0.0	-66.90	439.79	8.50	-58.40
COC1=CC=C(C(CNC(=O)N(C)CC(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686570	0	52	0.0	-68.90	386.33	8.38	-60.52
COC1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686571	0	59	0.0	-79.71	420.51	10.73	-68.98
CCCC(C)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686572	0	61	0.0	-67.25	435.85	8.68	-58.57
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]2CCCCC2)C=C1	REAL300012686573	0	58	0.0	-43.40	420.80	9.77	-33.63
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+]2CCCCC2)C=C1	REAL300012686574	0	56	0.0	-45.41	411.64	9.80	-35.61
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1	REAL300012686575	0	56	0.0	-46.44	420.95	9.92	-36.52
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]2CCCCC2)C=C1	REAL300012686576	0	61	0.0	-45.95	444.04	10.42	-35.53
COC1=CC=C(C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686577	0	55	0.0	-57.39	400.96	6.94	-50.45
COC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)[NH+]2CCCCC2)C=C1	REAL300012686578	0	59	0.0	-67.10	428.58	9.88	-57.22
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]2CCCCC2)C=C1	REAL300012686579	0	58	0.0	-43.40	420.80	9.77	-33.63
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1	REAL300012686580	0	58	0.0	-46.64	429.64	10.12	-36.52
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1	REAL300012686581	0	55	0.0	-69.21	408.14	9.37	-59.84
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686582	0	61	0.0	-70.96	446.18	9.72	-61.24
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+]2CCCCC2)C=C1	REAL300012686583	0	59	0.0	-69.07	431.88	9.03	-60.04
CCC(C)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686584	0	58	0.0	-67.01	414.35	7.93	-59.08
COC1=CC=C(C(CNC(=O)N[C@@H](C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686585	0	52	0.0	-59.68	393.11	7.74	-51.94
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1	REAL300012686586	0	55	0.0	-69.21	408.14	9.37	-59.84
COC1=CC=C(C(CNC(=O)N[C@H](C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686587	0	52	0.0	-58.15	393.11	7.74	-50.41
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC2)[NH+]2CCCCC2)C=C1	REAL300012686588	0	53	0.0	-74.28	401.69	8.14	-66.14
COC1=CC=C(C(CNC(=O)N2CCOCC2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686589	0	57	0.0	-76.80	411.40	8.19	-68.61
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+]2CCCCC2)C=C1	REAL300012686590	0	56	0.0	-66.20	419.17	9.24	-56.96
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1	REAL300012686591	0	59	0.0	-47.00	439.51	8.54	-38.46
COC1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686592	0	56	0.0	-75.59	416.54	9.50	-66.09
COC1=CC=C(C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686593	0	59	0.0	-77.35	425.60	11.68	-65.67
COC1=CC=C(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686594	0	55	0.0	-62.61	405.58	9.82	-52.79
COC1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686595	0	56	0.0	-76.17	414.92	10.74	-65.43
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC2)[NH+]2CCCCC2)C=C1	REAL300012686596	0	56	0.0	-74.19	418.59	8.64	-65.55
C=CCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686597	0	56	0.0	-66.94	423.52	8.02	-58.92
COC1=CC=C(C(CNC(=O)N2CCCC2(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686598	0	59	0.0	-76.58	431.98	11.31	-65.27
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+]2CCCCC2)C=C1	REAL300012686599	0	56	0.0	-66.20	419.17	9.24	-56.96
COC1=CC=C(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686600	0	55	0.0	-63.74	400.30	8.61	-55.13
CCCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686601	0	61	0.0	-67.54	453.21	9.11	-58.43
COC1=CC=C(C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686602	0	59	0.0	-76.77	430.81	11.22	-65.55
COCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686603	0	56	0.0	-67.79	421.58	5.79	-62.00
COC1=CC=C(C(CNC(=O)N(C(C)C(=O)[O-])C2CC2)[NH+]2CCCCC2)C=C1	REAL300012686604	0	59	0.0	-50.47	426.67	9.86	-40.61
COCC(C)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686605	0	59	0.0	-71.74	432.59	7.22	-64.52
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]2CCCCC2)C=C1	REAL300012686606	0	61	0.0	-45.95	444.04	10.42	-35.53
COC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+]2CCCCC2)C=C1	REAL300012686607	0	56	0.0	-45.41	411.64	9.80	-35.61
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOC2)[NH+]2CCCCC2)C=C1	REAL300012686608	0	57	0.0	-65.82	421.32	7.38	-58.44
C=CCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686609	0	59	0.0	-67.25	444.52	8.90	-58.35
COC1=CC=C(C(CNC(=O)NC(CF)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686610	0	52	0.0	-56.14	392.00	6.55	-49.59
COC1=CC=C(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686611	0	55	0.0	-63.74	400.30	8.61	-55.13
CCC(CC)(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686612	0	61	0.0	-70.54	430.73	8.83	-61.71
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1	REAL300012686613	0	61	0.0	-43.60	440.76	10.92	-32.68
COC1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686614	0	59	0.0	-66.85	448.60	9.46	-57.39
COCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686615	0	59	0.0	-67.16	443.05	6.63	-60.53
COC1=CC=C(C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686616	0	55	0.0	-62.42	420.83	8.09	-54.33
CCCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(C)C(=O)[O-]	REAL300012686617	0	61	0.0	-32.47	439.83	11.08	-21.39
COC1=CC=C(C(CNC(=O)NC(CCF)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686618	0	55	0.0	-66.93	416.80	7.71	-59.22
COC1=CC=C(C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686619	0	58	0.0	-64.40	420.94	8.07	-56.33
COC1=CC=C(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686620	0	55	0.0	-66.45	404.51	9.75	-56.70
COC1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)[NH+]2CCCCC2)C=C1	REAL300012686621	0	57	0.0	-77.07	421.47	10.46	-66.61
COC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]2CCCCC2)C=C1	REAL300012686622	0	61	0.0	-71.75	447.47	9.13	-62.62
C=C(C)CC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686623	0	59	0.0	-67.55	444.06	8.76	-58.79
COC1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686624	0	56	0.0	-69.80	422.97	9.61	-60.19
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(OC)C=C2)[NH+]2CCCCC2)C1	REAL300012686625	0	57	0.0	-76.50	430.30	9.92	-66.58
COC1=CC=C(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686626	0	61	0.0	-66.64	455.43	9.32	-57.32
COC1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686627	0	59	0.0	-66.85	448.60	9.46	-57.39
COC1=CC=C(C(CNC(=O)NC(CSC)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686628	0	56	0.0	-63.56	433.01	8.01	-55.55
COC[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686629	0	56	0.0	-68.56	428.85	6.16	-62.40
CC[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686630	0	55	0.0	-70.18	414.94	8.76	-61.42
COC1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686631	0	56	0.0	-75.59	416.54	9.50	-66.09
CCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686632	0	58	0.0	-67.65	431.71	8.33	-59.32
COC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+]2CCCCC2)C=C1	REAL300012686633	0	58	0.0	-66.49	427.05	9.09	-57.40
CCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(C)(C)C(=O)[O-]	REAL300012686634	0	61	0.0	-72.99	435.03	10.38	-62.61
CCCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(C)C(=O)[O-]	REAL300012686635	0	61	0.0	-32.47	439.83	11.08	-21.39
COC1=CC=C(C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686636	0	58	0.0	-73.01	415.38	9.49	-63.52
COC1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686637	0	56	0.0	-76.17	414.92	10.74	-65.43
COC1=CC=C(C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686638	0	57	0.0	-74.94	428.14	6.14	-68.80
CCC[C@@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686639	0	58	0.0	-65.54	436.20	9.59	-55.95
C=CCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686640	0	59	0.0	-67.25	444.52	8.90	-58.35
COC1=CC=C(C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686641	0	59	0.0	-72.07	433.22	10.38	-61.69
COC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+]2CCCCC2)C=C1	REAL300012686642	0	58	0.0	-65.88	428.13	8.23	-57.65
COC1=CC=C(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686643	0	55	0.0	-66.45	404.51	9.75	-56.70
CCC[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686644	0	58	0.0	-69.42	435.61	9.54	-59.88
CCN(C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(C)C(=O)[O-]	REAL300012686645	0	58	0.0	-71.12	421.10	10.12	-61.00
COC1=CC=C(C(CNC(=O)N(C)CC(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686646	0	58	0.0	-76.86	422.50	9.31	-67.55
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686647	0	61	0.0	-70.96	446.18	9.72	-61.24
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1	REAL300012686648	0	58	0.0	-64.75	427.38	10.06	-54.69
COCCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686649	0	59	0.0	-67.16	443.05	6.63	-60.53
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)[NH+]2CCCCC2)C=C1	REAL300012686650	0	59	0.0	-68.46	438.54	10.12	-58.34
COC1=CC=C(C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686651	0	57	0.0	-82.52	425.10	7.27	-75.25
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+]2CCCCC2)C=C1	REAL300012686652	0	59	0.0	-65.86	435.81	9.79	-56.07
COC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+]2CCCCC2)C=C1	REAL300012686653	0	59	0.0	-65.86	435.81	9.79	-56.07
COC1=CC=C(C(CNC(=O)N2CCC(C)C2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686654	0	59	0.0	-72.59	437.11	10.12	-62.47
C=CCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686655	0	56	0.0	-66.94	423.52	8.02	-58.92
COC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])COC2)[NH+]2CCCCC2)C=C1	REAL300012686656	0	54	0.0	-65.25	409.10	5.64	-59.61
COC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+]2CCCCC2)C=C1	REAL300012686657	0	61	0.0	-69.88	429.27	8.55	-61.33
COC1=CC=C(C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686658	0	57	0.0	-78.18	423.80	11.02	-67.16
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1	REAL300012686659	0	61	0.0	-72.68	436.01	11.01	-61.67
COC1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686660	0	56	0.0	-69.80	422.97	9.61	-60.19
COC1=CC=C(C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686661	0	58	0.0	-50.98	431.66	10.75	-40.23
COC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)[NH+]2CCCCC2)C=C1	REAL300012686662	0	59	0.0	-71.08	444.94	8.00	-63.08
COC1=CC=C(C(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)[NH+]2CCCCC2)C=C1	REAL300012686663	0	59	0.0	-73.99	436.49	9.49	-64.50
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1	REAL300012686664	0	61	0.0	-64.89	442.13	10.31	-54.58
CCOCC(NC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300012686665	0	59	0.0	-68.79	443.92	6.78	-62.01
COC1=CC=C(C(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686666	0	56	0.0	-69.27	430.25	8.07	-61.20
COC1=CC=C(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300012686667	0	55	0.0	-62.61	405.58	9.82	-52.79
CC(C)C[C@H](NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687145	0	47	0.0	-66.93	376.94	7.23	-59.70
C=CCOCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687146	0	46	0.0	-72.08	376.93	5.36	-66.72
C=CC(C)C(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687147	0	45	0.0	-67.72	361.99	6.68	-61.04
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CS1	REAL300012687148	0	49	0.0	-73.81	383.48	5.72	-68.09
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1=CC=CS1	REAL300012687149	0	45	0.0	-63.21	378.69	7.75	-55.46
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1=CC=CS1	REAL300012687150	0	45	0.0	-63.00	388.58	8.19	-54.81
COC1CCN(C(=O)NCC(C2=CC=CS2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012687151	0	49	0.0	-80.94	371.78	7.65	-73.29
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CC=CS1	REAL300012687152	0	49	0.0	-68.84	374.34	5.42	-63.42
CC1CCN(C(=O)NCC(C2=CC=CS2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012687153	0	48	0.0	-79.37	355.29	8.88	-70.49
CC1=CC(C(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300012687154	0	48	0.0	-66.28	401.85	8.64	-57.64
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1=CC=CS1	REAL300012687155	0	50	0.0	-67.81	410.77	7.80	-60.01
CC1=CC(C)=CC(C(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])=C1	REAL300012687156	0	51	0.0	-71.42	417.69	9.27	-62.15
CC1=CC=C(C(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])C=C1C	REAL300012687157	0	51	0.0	-70.02	405.01	8.81	-61.21
CC1=CC=CC(C(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])=C1C	REAL300012687158	0	51	0.0	-71.83	405.12	8.97	-62.86
COC1=CC=C(C(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])C=C1F	REAL300012687159	0	49	0.0	-66.07	401.71	7.00	-59.07
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687160	0	44	0.0	-45.84	349.88	8.09	-37.75
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C1CCC1	REAL300012687161	0	48	0.0	-59.71	371.12	8.97	-50.74
CCCN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012687162	0	51	0.0	-69.94	387.67	7.75	-62.19
CCCN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012687163	0	50	0.0	-50.74	389.22	10.55	-40.19
CC(C)C(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687164	0	44	0.0	-68.87	343.14	5.85	-63.02
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CS1	REAL300012687165	0	45	0.0	-81.06	341.48	8.79	-72.27
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=CS1	REAL300012687166	0	45	0.0	-67.90	384.65	8.15	-59.75
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CS1	REAL300012687167	0	43	0.0	-75.24	349.78	9.12	-66.12
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CS1	REAL300012687168	0	48	0.0	-72.92	368.22	8.09	-64.83
C[NH+](C)C(CNC(=O)N1CCCC1C(=O)[O-])C1=CC=CS1	REAL300012687169	0	42	0.0	-75.51	329.20	7.43	-68.08
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CS1	REAL300012687170	0	45	0.0	-69.46	353.12	6.96	-62.50
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C1=CC=CS1	REAL300012687171	0	51	0.0	-72.83	367.22	8.39	-64.44
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CS1	REAL300012687172	0	48	0.0	-72.79	388.64	8.60	-64.19
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CS1	REAL300012687173	0	48	0.0	-51.79	388.72	10.37	-41.42
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CS1	REAL300012687174	0	45	0.0	-70.90	366.63	7.59	-63.31
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CS1	REAL300012687175	0	45	0.0	-70.98	367.92	7.62	-63.36
CC(C)C(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687176	0	44	0.0	-68.87	343.14	5.85	-63.02
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CS1	REAL300012687177	0	48	0.0	-72.79	388.64	8.60	-64.19
CCC(C)C(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687178	0	47	0.0	-70.37	363.57	6.77	-63.60
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CS1	REAL300012687179	0	45	0.0	-81.06	341.48	8.79	-72.27
CCCC(C)(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687180	0	47	0.0	-70.80	356.09	6.66	-64.14
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687181	0	44	0.0	-47.51	338.07	7.64	-39.87
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CS1	REAL300012687182	0	42	0.0	-59.05	339.98	8.28	-50.77
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687183	0	42	0.0	-45.63	341.19	7.89	-37.74
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687184	0	47	0.0	-45.06	364.29	8.39	-36.67
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1=CC=CS1	REAL300012687185	0	49	0.0	-82.39	379.21	10.56	-71.83
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=CS1	REAL300012687186	0	45	0.0	-70.53	352.33	7.01	-63.52
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1=CC=CS1	REAL300012687187	0	42	0.0	-68.92	359.55	6.72	-62.20
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CS1	REAL300012687188	0	48	0.0	-72.92	368.22	8.09	-64.83
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C1=CC=CS1	REAL300012687189	0	48	0.0	-49.98	405.45	10.89	-39.09
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687190	0	44	0.0	-47.51	338.07	7.64	-39.87
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687191	0	44	0.0	-45.84	349.88	8.09	-37.75
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687192	0	47	0.0	-69.84	362.25	6.71	-63.13
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CS1	REAL300012687193	0	45	0.0	-69.46	353.12	6.96	-62.50
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1=CC=CS1	REAL300012687194	0	48	0.0	-50.21	395.13	10.44	-39.77
CCC(C)(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687195	0	44	0.0	-70.57	334.59	5.90	-64.67
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=CS1	REAL300012687196	0	49	0.0	-71.29	392.81	9.13	-62.16
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1=CC=CS1	REAL300012687197	0	45	0.0	-67.98	385.96	8.13	-59.85
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CS1	REAL300012687198	0	48	0.0	-72.10	375.75	8.41	-63.69
CCCCCCC(C)(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687199	0	56	0.0	-70.98	420.58	8.98	-62.00
CN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012687200	0	51	0.0	-71.58	397.95	10.56	-61.02
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=CS1	REAL300012687201	0	45	0.0	-67.90	384.65	8.15	-59.75
C[NH+](C)C(CNC(=O)N1CCOCC1C(=O)[O-])C1=CC=CS1	REAL300012687202	0	43	0.0	-78.74	332.56	6.02	-72.72
CN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300012687203	0	51	0.0	-71.75	378.11	9.39	-62.36
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CS1	REAL300012687204	0	42	0.0	-65.60	345.61	6.36	-59.24
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CS1	REAL300012687205	0	51	0.0	-46.98	409.78	11.12	-35.86
CN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012687206	0	48	0.0	-69.72	379.17	9.52	-60.20
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687207	0	45	0.0	-46.02	359.75	6.51	-39.51
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1=CC=CS1	REAL300012687208	0	49	0.0	-75.15	390.16	9.07	-66.08
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CS1	REAL300012687209	0	42	0.0	-76.52	338.69	7.48	-69.04
C[NH+](C)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC=CS1	REAL300012687210	0	45	0.0	-74.33	348.77	8.78	-65.55
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CS1	REAL300012687211	0	42	0.0	-76.08	337.75	7.79	-68.29
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC1)C1=CC=CS1	REAL300012687212	0	42	0.0	-76.31	333.27	6.26	-70.05
C=CCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687213	0	42	0.0	-70.15	343.49	6.04	-64.11
C[NH+](C)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CC=CS1	REAL300012687214	0	45	0.0	-78.30	347.62	8.01	-70.29
C[NH+](C)C(CNC(=O)N1CCCCCC1C(=O)[O-])C1=CC=CS1	REAL300012687215	0	48	0.0	-81.08	354.62	9.05	-72.03
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CS1	REAL300012687216	0	42	0.0	-65.60	345.61	6.36	-59.24
CCCCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687217	0	47	0.0	-70.83	373.44	7.07	-63.76
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CS1	REAL300012687218	0	51	0.0	-46.98	409.78	11.12	-35.86
C[NH+](C)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=CS1	REAL300012687219	0	45	0.0	-71.26	354.57	8.35	-62.91
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CS1	REAL300012687220	0	48	0.0	-55.08	366.44	9.08	-46.00
COCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687221	0	42	0.0	-71.26	342.18	3.81	-67.45
CCCCCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687222	0	50	0.0	-70.87	394.95	7.85	-63.02
CCC1CCC(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012687223	0	54	0.0	-67.06	394.28	8.25	-58.81
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=CS1	REAL300012687224	0	49	0.0	-53.41	381.69	7.59	-45.82
CN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300012687225	0	48	0.0	-75.81	356.78	8.34	-67.47
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C1CC1	REAL300012687226	0	45	0.0	-57.12	354.73	8.22	-48.90
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C1CC1	REAL300012687227	0	48	0.0	-59.68	375.42	9.35	-50.33
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1=CC=CS1	REAL300012687228	0	45	0.0	-68.97	385.60	8.42	-60.55
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1=CC=CS1	REAL300012687229	0	45	0.0	-73.59	379.26	8.05	-65.54
C[NH+](C)C(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1=CC=CS1	REAL300012687230	0	49	0.0	-53.05	382.81	10.03	-43.02
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C1=CC=CS1	REAL300012687231	0	48	0.0	-76.16	404.09	8.83	-67.33
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CS1	REAL300012687232	0	54	0.0	-67.75	419.03	9.17	-58.58
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687233	0	51	0.0	-55.58	399.80	11.25	-44.33
CC1=CC=C(C(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012687234	0	48	0.0	-70.78	396.28	8.63	-62.15
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CS1	REAL300012687235	0	41	0.0	-64.06	346.14	6.30	-57.76
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1=CC=CS1	REAL300012687236	0	51	0.0	-72.75	420.84	10.29	-62.46
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)C1=CC=CS1	REAL300012687237	0	46	0.0	-71.86	357.66	7.43	-64.43
COCC(C)(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687238	0	45	0.0	-75.23	352.83	5.19	-70.04
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687239	0	48	0.0	-67.89	373.44	6.92	-60.97
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687240	0	47	0.0	-45.06	364.29	8.39	-36.67
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687241	0	54	0.0	-51.89	415.44	11.30	-40.59
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CS1	REAL300012687242	0	42	0.0	-59.05	339.98	8.28	-50.77
C[NH+](C)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1=CC=CS1	REAL300012687243	0	44	0.0	-46.63	368.01	8.46	-38.17
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CC=CS1	REAL300012687244	0	43	0.0	-66.69	344.50	4.39	-62.30
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CS1	REAL300012687245	0	51	0.0	-68.68	384.85	7.84	-60.84
CN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300012687246	0	52	0.0	-66.78	409.03	8.73	-58.05
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1=CC=CS1	REAL300012687247	0	52	0.0	-79.95	406.07	11.62	-68.33
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)C1=CC=CS1	REAL300012687248	0	46	0.0	-73.28	359.92	5.59	-67.69
C=CCCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687249	0	45	0.0	-70.81	364.76	6.85	-63.96
C[NH+](C)C(CNC(=O)NC(CF)C(=O)[O-])C1=CC=CS1	REAL300012687250	0	38	0.0	-57.53	312.24	4.52	-53.01
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687251	0	51	0.0	-32.44	396.45	11.45	-20.99
CCC(CC)(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687252	0	47	0.0	-69.54	351.26	6.78	-62.76
COC1=CC=C(C(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012687253	0	49	0.0	-70.48	396.81	6.95	-63.53
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687254	0	47	0.0	-44.87	359.11	8.66	-36.21
CCC(COC)(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687255	0	48	0.0	-77.07	369.28	6.10	-70.97
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687256	0	51	0.0	-67.73	393.10	7.58	-60.15
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1=CC=CS1	REAL300012687257	0	48	0.0	-74.66	377.84	3.77	-70.89
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CS1	REAL300012687258	0	45	0.0	-67.11	370.85	7.37	-59.74
COCCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687259	0	45	0.0	-71.28	364.12	4.58	-66.70
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687260	0	50	0.0	-67.37	379.27	8.89	-58.48
C[NH+](C)C(CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CS1	REAL300012687261	0	41	0.0	-64.74	340.83	6.11	-58.63
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687262	0	51	0.0	-77.88	388.20	10.15	-67.73
CCCN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012687263	0	47	0.0	-45.72	367.30	9.22	-36.50
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687264	0	51	0.0	-32.94	396.62	11.42	-21.52
CCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012687265	0	51	0.0	-70.72	392.72	9.31	-61.41
COC1CCCC(C(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])C1	REAL300012687266	0	55	0.0	-73.80	417.98	6.76	-67.04
C[NH+](C)C(CNC(=O)NC(CCF)C(=O)[O-])C1=CC=CS1	REAL300012687267	0	41	0.0	-69.74	336.80	5.73	-64.01
COC1(CC(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012687268	0	52	0.0	-69.87	409.12	7.24	-62.63
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=CS1	REAL300012687269	0	49	0.0	-53.41	381.69	7.59	-45.82
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C1=CC=CS1	REAL300012687270	0	51	0.0	-51.80	383.47	9.64	-42.16
C[C@H]1CC[C@@](NC(=O)NCC(C2=CC=CS2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012687271	0	51	0.0	-73.06	382.02	8.48	-64.58
COC1=CC=CC(C(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])=C1	REAL300012687272	0	49	0.0	-73.10	395.89	6.97	-66.13
C[NH+](C)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CC=CS1	REAL300012687273	0	44	0.0	-67.89	341.18	6.04	-61.85
C[NH+](C)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1=CC=CS1	REAL300012687274	0	46	0.0	-52.15	364.49	8.07	-44.08
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1=CC=CS1	REAL300012687275	0	42	0.0	-67.68	351.52	7.66	-60.02
COC1=CC=CC([C@H](NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])=C1	REAL300012687276	0	49	0.0	-72.91	396.84	6.94	-65.97
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CS2)[NH+](C)C)C1	REAL300012687277	0	51	0.0	-80.69	396.12	9.33	-71.36
COC1=CC=CC(CC(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])=C1	REAL300012687278	0	52	0.0	-72.44	426.86	8.19	-64.25
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1=CC=CS1	REAL300012687279	0	54	0.0	-77.54	389.00	8.61	-68.93
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC=CS1	REAL300012687280	0	43	0.0	-78.45	345.03	8.44	-70.01
COC1CN(C(=O)NCC(C2=CC=CS2)[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012687281	0	49	0.0	-74.26	381.11	6.99	-67.27
C[NH+](C)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1=CC=CS1	REAL300012687282	0	52	0.0	-67.71	410.36	6.69	-61.02
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC=CS1	REAL300012687283	0	47	0.0	-70.24	361.80	6.86	-63.38
C=C(Cl)CC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687284	0	42	0.0	-65.17	358.68	6.71	-58.46
C=C(C)CC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687285	0	45	0.0	-71.60	363.34	6.89	-64.71
C[NH+](C)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CC=CS1	REAL300012687286	0	46	0.0	-87.02	351.20	8.90	-78.12
C[NH+](C)C(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CS1	REAL300012687287	0	51	0.0	-71.46	398.42	8.80	-62.66
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1=CC=CS1	REAL300012687288	0	42	0.0	-70.34	351.46	7.66	-62.68
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CS1	REAL300012687289	0	42	0.0	-69.29	343.90	7.90	-61.39
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CS2)[NH+](C)C)C1	REAL300012687290	0	43	0.0	-71.90	351.64	7.87	-64.03
C[NH+](C)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1=CC=CS1	REAL300012687291	0	52	0.0	-69.59	401.08	6.35	-63.24
CC(C)C[C@H](NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687292	0	47	0.0	-66.93	376.94	7.23	-59.70
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CS1	REAL300012687293	0	49	0.0	-73.81	383.48	5.72	-68.09
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CS1	REAL300012687294	0	45	0.0	-70.98	367.92	7.62	-63.36
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CS1	REAL300012687295	0	45	0.0	-67.11	370.85	7.37	-59.74
C[NH+](C)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1=CC=CS1	REAL300012687296	0	44	0.0	-68.32	375.92	5.75	-62.57
CC(C)CCCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687297	0	53	0.0	-70.98	412.51	8.37	-62.61
C[NH+](C)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C1=CC=CS1	REAL300012687298	0	49	0.0	-73.48	394.64	6.32	-67.16
CSCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687299	0	42	0.0	-66.87	353.91	5.94	-60.93
COC[C@H](NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687300	0	42	0.0	-67.42	350.06	4.11	-63.31
C[NH+](C)C(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CS1	REAL300012687301	0	48	0.0	-67.59	396.11	8.65	-58.94
CCC(C)CC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687302	0	50	0.0	-71.64	387.57	7.59	-64.05
C=CCCCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687303	0	48	0.0	-70.61	386.02	7.70	-62.91
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CS1	REAL300012687304	0	48	0.0	-71.56	396.29	8.59	-62.97
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C1=CC=CS1	REAL300012687305	0	51	0.0	-74.49	415.44	10.13	-64.36
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CS1	REAL300012687306	0	43	0.0	-75.24	349.78	9.12	-66.12
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CS1	REAL300012687307	0	48	0.0	-72.10	375.75	8.41	-63.69
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CS1	REAL300012687308	0	42	0.0	-76.52	338.69	7.48	-69.04
CCCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687309	0	44	0.0	-70.85	351.95	6.29	-64.56
CC(C)[C@@H](NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687310	0	44	0.0	-66.69	346.64	6.12	-60.57
C[NH+](C)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CC=CS1	REAL300012687311	0	46	0.0	-85.19	352.11	9.03	-76.16
CCN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012687312	0	47	0.0	-74.90	355.45	8.35	-66.55
CCCN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012687313	0	47	0.0	-45.72	367.30	9.22	-36.50
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CS1	REAL300012687314	0	41	0.0	-64.81	352.34	8.03	-56.78
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CS1	REAL300012687315	0	41	0.0	-64.81	352.34	8.03	-56.78
CN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012687316	0	44	0.0	-74.87	335.25	7.53	-67.34
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CS1	REAL300012687317	0	42	0.0	-76.08	337.75	7.79	-68.29
C[NH+](C)C(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1=CC=CS1	REAL300012687318	0	54	0.0	-53.45	418.06	5.84	-47.61
C[NH+](C)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC=CS1	REAL300012687319	0	43	0.0	-73.91	349.21	4.09	-69.82
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687321	0	49	0.0	-75.77	385.35	11.36	-64.41
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC(C2=CC=CS2)[NH+](C)C)[C@H]1C(=O)[O-]	REAL300012687322	0	52	0.0	-57.78	401.58	10.91	-46.87
CCC[C@@H](NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687323	0	44	0.0	-70.42	352.47	6.41	-64.01
C[NH+](C)C(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C1=CC=CS1	REAL300012687324	0	50	0.0	-66.96	391.70	9.04	-57.92
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CS1	REAL300012687325	0	45	0.0	-70.90	366.63	7.59	-63.31
C[NH+](C)C(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1=CC=CS1	REAL300012687326	0	50	0.0	-73.70	406.74	7.54	-66.16
C=CCCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687327	0	45	0.0	-70.81	364.76	6.85	-63.96
C[NH+](C)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1=CC=CS1	REAL300012687328	0	44	0.0	-72.46	383.37	5.95	-66.51
C[NH+](C)C(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1=CC=CS1	REAL300012687329	0	45	0.0	-62.90	402.32	7.70	-55.20
C[NH+](C)C(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1=CC=CS1	REAL300012687330	0	45	0.0	-90.97	361.18	5.00	-85.97
CN1CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CS2)[NH+](C)C)CC1=O	REAL300012687331	0	46	0.0	-69.40	357.77	6.58	-62.82
C[NH+](C)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=CS1	REAL300012687332	0	45	0.0	-74.56	347.44	8.01	-66.55
CC(C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687333	0	44	0.0	-64.98	352.85	6.42	-58.56
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CS1	REAL300012687334	0	45	0.0	-71.76	375.10	7.95	-63.81
C[NH+](C)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1=CC=CS1	REAL300012687335	0	48	0.0	-71.88	384.29	7.29	-64.59
CCC[C@H](NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687336	0	44	0.0	-66.59	360.18	6.65	-59.94
CCN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012687337	0	44	0.0	-67.36	338.15	7.36	-60.00
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CS1	REAL300012687338	0	48	0.0	-55.08	366.44	9.08	-46.00
CC(CN(C)C(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687339	0	44	0.0	-77.99	342.73	7.27	-70.72
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687340	0	47	0.0	-69.84	362.25	6.71	-63.13
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687341	0	44	0.0	-66.04	341.43	7.74	-58.30
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CC=CS1	REAL300012687342	0	46	0.0	-75.89	365.53	3.55	-72.34
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687343	0	54	0.0	-70.64	412.53	6.90	-63.74
CC1CCC(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)(C(=O)[O-])C1	REAL300012687344	0	48	0.0	-71.89	368.27	7.27	-64.62
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1=CC=CS1	REAL300012687345	0	51	0.0	-71.03	382.91	8.24	-62.79
COCCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687346	0	45	0.0	-71.28	364.12	4.58	-66.70
CN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012687347	0	51	0.0	-71.58	397.95	10.56	-61.02
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CC=CS1	REAL300012687348	0	48	0.0	-74.24	369.34	7.97	-66.27
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=CS1	REAL300012687349	0	45	0.0	-71.22	367.35	6.99	-64.23
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687350	0	54	0.0	-72.51	423.34	7.14	-65.37
C[NH+](C)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC=CS1	REAL300012687351	0	43	0.0	-82.20	349.41	4.25	-77.95
C[NH+](C)C(CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1=CC=CS1	REAL300012687352	0	53	0.0	-63.43	416.69	11.50	-51.93
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CC=CS1	REAL300012687353	0	46	0.0	-67.78	365.75	4.91	-62.87
C[NH+](C)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CC=CS1	REAL300012687354	0	46	0.0	-75.64	359.59	8.92	-66.72
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1=CC=CS1	REAL300012687355	0	49	0.0	-75.98	406.81	8.08	-67.90
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CC=CS1	REAL300012687356	0	44	0.0	-73.86	352.25	6.62	-67.24
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CS2)[NH+](C)C)C1	REAL300012687357	0	48	0.0	-80.44	362.32	9.37	-71.07
CC(C1=CC=CC=C1)C(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687358	0	51	0.0	-69.79	403.85	8.94	-60.85
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CS1	REAL300012687359	0	52	0.0	-70.47	410.83	9.02	-61.45
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CS1	REAL300012687360	0	45	0.0	-70.15	363.57	6.93	-63.22
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1=CC=CS1	REAL300012687361	0	58	0.0	-75.04	425.52	8.40	-66.64
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CS1	REAL300012687362	0	51	0.0	-68.68	384.85	7.84	-60.84
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CS1	REAL300012687363	0	45	0.0	-70.15	363.57	6.93	-63.22
CC1CCN(C(=O)NCC(C2=CC=CS2)[NH+](C)C)C1C(=O)[O-]	REAL300012687364	0	45	0.0	-77.47	359.09	8.10	-69.37
C=CCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687365	0	42	0.0	-70.15	343.49	6.04	-64.11
C[NH+](C)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=CS1	REAL300012687366	0	52	0.0	-69.57	410.93	7.60	-61.97
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1=CC=CS1	REAL300012687367	0	52	0.0	-51.08	384.46	9.59	-41.49
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1=CC=CS1	REAL300012687368	0	52	0.0	-74.42	389.20	6.87	-67.55
CC1=CC=CC2=C1CCN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)C2C(=O)[O-]	REAL300012687369	0	52	0.0	-52.23	400.10	10.56	-41.67
C[NH+](C)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CC=CS1	REAL300012687370	0	46	0.0	-50.67	360.88	8.82	-41.85
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CS1	REAL300012687371	0	52	0.0	-70.47	410.83	9.02	-61.45
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CS1	REAL300012687372	0	48	0.0	-76.05	395.30	8.61	-67.44
COC1CC(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)(C(=O)[O-])C1	REAL300012687373	0	46	0.0	-79.22	366.73	5.21	-74.01
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1=CC=CS1	REAL300012687374	0	42	0.0	-72.49	341.60	6.25	-66.24
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=CS2)[NH+](C)C)(C(=O)[O-])C1	REAL300012687375	0	46	0.0	-67.83	371.59	5.86	-61.97
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1=CC=CS1	REAL300012687376	0	45	0.0	-64.21	377.67	7.38	-56.83
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687377	0	48	0.0	-78.14	367.53	9.45	-68.69
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CS1	REAL300012687378	0	41	0.0	-64.06	346.14	6.30	-57.76
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CS1	REAL300012687379	0	49	0.0	-74.26	384.26	5.54	-68.72
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])COC1)C1=CC=CS1	REAL300012687380	0	40	0.0	-67.58	324.00	3.26	-64.32
C[NH+](C)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=CS1	REAL300012687381	0	45	0.0	-73.04	382.09	7.62	-65.42
COCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012687382	0	52	0.0	-68.56	408.93	7.63	-60.93
CC(C)C(C)(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687383	0	47	0.0	-71.50	349.51	6.53	-64.97
C[NH+](C)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CS1	REAL300012687384	0	43	0.0	-76.70	344.74	8.94	-67.76
C[NH+](C)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CS1	REAL300012687385	0	46	0.0	-74.51	361.40	8.59	-65.92
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687386	0	51	0.0	-32.94	396.62	11.42	-21.52
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CS1	REAL300012687387	0	54	0.0	-67.75	419.03	9.17	-58.58
C[NH+](C)C(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=CS1	REAL300012687388	0	51	0.0	-67.73	420.09	9.67	-58.06
C[NH+](C)C(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=CS1	REAL300012687389	0	51	0.0	-68.64	412.95	9.41	-59.23
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1=CC=CS1	REAL300012687390	0	52	0.0	-68.15	392.23	8.22	-59.93
C[NH+](C)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1=CC=CS1	REAL300012687391	0	54	0.0	-66.99	419.16	9.14	-57.85
C[NH+](C)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1=CC=CS1	REAL300012687392	0	54	0.0	-70.33	418.93	9.17	-61.16
C[NH+](C)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1=CC=CS1	REAL300012687393	0	52	0.0	-52.31	399.75	9.75	-42.56
C[NH+](C)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1=CC=CS1	REAL300012687394	0	52	0.0	-75.25	395.43	9.56	-65.69
COC1=CC=C(CC(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012687395	0	52	0.0	-68.97	417.49	7.85	-61.12
C=CCSCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687396	0	46	0.0	-66.82	388.19	7.40	-59.42
C[NH+](C)C(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C1=CC=CS1	REAL300012687397	0	49	0.0	-69.81	408.80	8.95	-60.86
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687398	0	47	0.0	-68.51	355.15	8.32	-60.19
COC1(C(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012687399	0	49	0.0	-65.50	378.46	5.16	-60.34
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C1=CC=CS1	REAL300012687400	0	51	0.0	-68.64	393.17	8.52	-60.12
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C1=CC=CS1	REAL300012687401	0	52	0.0	-71.78	399.63	9.68	-62.10
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1=CC=CS1	REAL300012687402	0	45	0.0	-78.69	365.51	7.04	-71.65
CC(C)C1=CC=C(C(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012687404	0	54	0.0	-70.00	434.83	9.96	-60.04
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CS1	REAL300012687405	0	42	0.0	-69.29	343.90	7.90	-61.39
C[NH+](C)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CC=CS1	REAL300012687406	0	44	0.0	-49.94	353.54	8.60	-41.34
C[NH+](C)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CC=CS1	REAL300012687407	0	48	0.0	-79.15	363.13	8.36	-70.79
CCOC1=CC=C(C(NC(=O)NCC(C2=CC=CS2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012687408	0	52	0.0	-70.40	426.20	8.18	-62.22
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1=CC=CS1	REAL300012687409	0	52	0.0	-76.07	393.34	10.47	-65.60
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C1=CC=CS1	REAL300012687410	0	52	0.0	-69.12	417.10	9.81	-59.31
C[NH+](C)C(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1=CC=CS1	REAL300012687411	0	52	0.0	-75.17	409.05	8.65	-66.52
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1=CC=CS1	REAL300012687412	0	48	0.0	-73.76	402.57	8.77	-64.99
CC(C)CCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687413	0	50	0.0	-70.67	390.77	7.65	-63.02
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1=CC=CS1	REAL300012687414	0	49	0.0	-36.17	378.70	8.88	-27.29
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CS1	REAL300012687415	0	49	0.0	-74.26	384.26	5.54	-68.72
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CS2)[NH+](C)C)C1	REAL300012687416	0	46	0.0	-74.59	382.01	8.75	-65.84
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1=CC=CS1	REAL300012687417	0	49	0.0	-77.98	367.15	8.41	-69.57
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CC=CS1	REAL300012687418	0	46	0.0	-77.59	354.28	7.50	-70.09
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1=CC=CS1	REAL300012687419	0	49	0.0	-72.03	375.54	7.89	-64.14
CN(C(=O)NCC(C1=CC=CS1)[NH+](C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012687420	0	51	0.0	-71.65	398.01	10.69	-60.96
C[NH+](C)C(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1=CC=CS1	REAL300012687421	0	55	0.0	-43.91	405.14	9.89	-34.02
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CC=CS1	REAL300012687422	0	48	0.0	-67.91	367.95	7.14	-60.77
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687423	0	45	0.0	-68.74	360.53	4.99	-63.75
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687424	0	45	0.0	-73.45	362.13	7.61	-65.84
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CS1	REAL300012687425	0	48	0.0	-51.79	388.72	10.37	-41.42
C[NH+](C)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CC=CS1	REAL300012687426	0	48	0.0	-53.21	377.30	8.58	-44.63
C[NH+](C)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1=CC=CS1	REAL300012687427	0	45	0.0	-79.83	352.44	8.53	-71.30
C[NH+](C)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1=CC=CS1	REAL300012687428	0	42	0.0	-79.17	342.57	7.59	-71.58
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CS1	REAL300012687429	0	48	0.0	-76.05	395.30	8.61	-67.44
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CS1	REAL300012687430	0	45	0.0	-70.84	387.96	7.86	-62.98
C[NH+](C)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1=CC=CS1	REAL300012687431	0	45	0.0	-69.54	366.93	8.46	-61.08
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1=CC=CS1	REAL300012687432	0	49	0.0	-77.15	394.19	8.50	-68.65
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CS1	REAL300012687433	0	45	0.0	-70.84	387.96	7.86	-62.98
C[NH+](C)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CS1	REAL300012687434	0	49	0.0	-78.88	376.44	9.15	-69.73
COCCCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687435	0	48	0.0	-69.34	385.38	5.42	-63.92
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300012687436	0	47	0.0	-67.40	362.92	8.32	-59.08
CCOCC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300012687437	0	45	0.0	-72.00	364.17	4.75	-67.25
C[NH+](C)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CC=CS1	REAL300012687438	0	50	0.0	-69.47	381.34	7.93	-61.54
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C1=CC=CS1	REAL300012687439	0	49	0.0	-72.33	387.43	6.04	-66.29
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=CS1	REAL300012687440	0	49	0.0	-71.29	392.81	9.13	-62.16
C[C@H]1OCCN(C(=O)NCC(C2=CC=CS2)[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012687441	0	46	0.0	-80.57	351.06	7.08	-73.49
C[NH+](C)C(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1=CC=CS1	REAL300012687442	0	48	0.0	-73.29	380.14	8.79	-64.50
C[NH+](C)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CC=CS1	REAL300012687443	0	42	0.0	-73.55	351.31	6.02	-67.53
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1=CC=CS1	REAL300012687444	0	45	0.0	-52.96	370.38	8.51	-44.45
C[NH+](C)C(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1=CC=CS1	REAL300012687445	0	56	0.0	-75.20	410.30	9.32	-65.88
C[NH+](C)C(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1=CC=CS1	REAL300012687446	0	47	0.0	-64.72	408.89	7.57	-57.15
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CS2)[NH+](C)C)C1	REAL300012687447	0	49	0.0	-69.27	391.55	7.84	-61.43
C=CCOCC(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687448	0	49	0.0	-71.19	369.13	5.38	-65.81
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCOCC2)CCCC1	REAL300012687449	0	52	0.0	-68.94	368.46	5.43	-63.51
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CCCC1	REAL300012687450	0	48	0.0	-64.55	371.36	7.80	-56.75
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CCCC1	REAL300012687451	0	48	0.0	-63.70	380.65	8.27	-55.43
COC1CCN(C(=O)NCC2([NH+](C)C)CCCC2)C(C(=O)[O-])C1	REAL300012687452	0	52	0.0	-82.10	363.26	7.52	-74.58
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCOC2)CCCC1	REAL300012687453	0	52	0.0	-65.53	368.99	5.38	-60.15
CC1CCN(C(=O)NCC2([NH+](C)C)CCCC2)C(C(=O)[O-])C1	REAL300012687454	0	51	0.0	-78.96	344.42	8.63	-70.33
CC1=CC(C(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])=CC=C1F	REAL300012687455	0	51	0.0	-66.69	385.38	8.38	-58.31
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CCCC1	REAL300012687456	0	53	0.0	-69.39	394.59	7.53	-61.86
CC1=CC(C)=CC(C(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])=C1	REAL300012687457	0	54	0.0	-70.56	401.46	8.99	-61.57
CC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])C=C1C	REAL300012687458	0	54	0.0	-70.62	397.11	8.89	-61.73
COC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])C=C1Cl	REAL300012687459	0	52	0.0	-66.95	403.57	7.56	-59.39
CC1=CC=CC(C(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])=C1C	REAL300012687460	0	54	0.0	-71.33	389.72	8.65	-62.68
COC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])C=C1F	REAL300012687461	0	52	0.0	-67.35	393.77	7.08	-60.27
CC(C(=O)[O-])N(C(=O)NCC1([NH+](C)C)CCCC1)C1CCC1	REAL300012687462	0	51	0.0	-61.11	354.06	8.45	-52.66
CCCN(C(=O)NCC1([NH+](C)C)CCCC1)C(COC)C(=O)[O-]	REAL300012687463	0	54	0.0	-68.82	380.59	7.85	-60.97
CCCN(C(=O)NCC1([NH+](C)C)CCCC1)C(CC)C(=O)[O-]	REAL300012687464	0	53	0.0	-66.92	368.72	9.14	-57.78
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CCCC1	REAL300012687465	0	48	0.0	-64.47	377.44	8.17	-56.30
C[NH+](C)C1(CNC(=O)N2CCSCC2C(=O)[O-])CCCC1	REAL300012687466	0	46	0.0	-76.25	330.99	8.50	-67.75
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCCC2)CCCC1	REAL300012687467	0	51	0.0	-75.97	350.36	7.55	-68.42
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCCCC2)CCCC1	REAL300012687468	0	54	0.0	-71.92	356.06	8.22	-63.70
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CCCC1	REAL300012687469	0	51	0.0	-70.02	380.88	8.61	-61.41
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CCCC1	REAL300012687470	0	51	0.0	-59.26	379.42	10.42	-48.84
C[NH+](C)C1(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CCCC1	REAL300012687471	0	48	0.0	-69.43	358.45	7.75	-61.68
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CCCC1	REAL300012687472	0	48	0.0	-69.72	358.67	7.68	-62.04
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CCCC1	REAL300012687473	0	51	0.0	-70.02	380.88	8.61	-61.41
C[NH+](C)C1(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CCCC1	REAL300012687474	0	52	0.0	-80.96	368.78	10.54	-70.42
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)CCCC1	REAL300012687475	0	45	0.0	-69.33	351.69	6.75	-62.58
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCCC2)CCCC1	REAL300012687476	0	51	0.0	-75.97	350.36	7.55	-68.42
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CCCC1	REAL300012687477	0	51	0.0	-56.09	390.13	10.64	-45.45
C[NH+](C)C1(CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CCCC1	REAL300012687478	0	55	0.0	-74.15	411.99	8.65	-65.50
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCC2([NH+](C)C)CCCC2)=C1	REAL300012687479	0	59	0.0	-61.72	438.42	9.02	-52.70
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CCCC1	REAL300012687480	0	48	0.0	-64.32	382.01	8.27	-56.05
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CCCC1	REAL300012687481	0	51	0.0	-56.70	379.80	10.19	-46.51
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CCCC1	REAL300012687482	0	52	0.0	-69.66	374.97	8.59	-61.07
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CCCC1	REAL300012687483	0	48	0.0	-70.03	369.48	7.84	-62.19
C[NH+](C)C1(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CCCC1	REAL300012687484	0	51	0.0	-68.78	368.23	8.43	-60.35
CCCCCCC(C)(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687485	0	59	0.0	-67.91	412.64	9.07	-58.84
CN(C(=O)NCC1([NH+](C)C)CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012687486	0	54	0.0	-68.71	391.43	10.73	-57.98
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CCCC1	REAL300012687487	0	48	0.0	-64.47	377.44	8.17	-56.30
CN(C(=O)NCC1([NH+](C)C)CCCC1)C1(C(=O)[O-])CCCCC1	REAL300012687488	0	54	0.0	-77.95	359.37	8.90	-69.05
C[NH+](C)C1(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CCCC1	REAL300012687489	0	54	0.0	-60.12	401.84	11.18	-48.94
CN(C(=O)NCC1([NH+](C)C)CCCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012687490	0	51	0.0	-67.56	366.59	9.34	-58.22
COCCN(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CCCC1	REAL300012687491	0	48	0.0	-56.02	353.83	6.57	-49.45
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CCCC1	REAL300012687492	0	52	0.0	-72.77	373.36	8.74	-64.03
C[NH+](C)C1(CNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CCCC1	REAL300012687493	0	55	0.0	-75.37	416.84	8.52	-66.85
C[NH+](C)C1(CNC(=O)N2CCCCCC2C(=O)[O-])CCCC1	REAL300012687494	0	51	0.0	-74.40	345.46	9.14	-65.26
C[NH+](C)C1(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CCCC1	REAL300012687495	0	54	0.0	-60.12	401.84	11.18	-48.94
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCCC2)CCCC1	REAL300012687496	0	51	0.0	-54.96	358.78	8.95	-46.01
CCCCCC(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687497	0	53	0.0	-68.05	386.77	7.99	-60.06
CCC1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)(C(=O)[O-])CC1	REAL300012687498	0	57	0.0	-68.84	389.52	8.81	-60.03
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCOCC2)CCCC1	REAL300012687499	0	52	0.0	-58.82	365.21	7.31	-51.51
CN(C(=O)NCC1([NH+](C)C)CCCC1)C1(C(=O)[O-])CCCC1	REAL300012687500	0	51	0.0	-72.36	347.60	8.43	-63.93
CCC(C(=O)[O-])N(C(=O)NCC1([NH+](C)C)CCCC1)C1CC1	REAL300012687501	0	51	0.0	-60.50	360.77	9.23	-51.27
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CCCC1	REAL300012687502	0	48	0.0	-71.11	370.56	8.10	-63.01
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CCCC1	REAL300012687503	0	48	0.0	-73.87	362.25	7.77	-66.10
C[NH+](C)C1(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CCCC1	REAL300012687504	0	52	0.0	-54.94	372.12	9.75	-45.19
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CCCC1	REAL300012687505	0	51	0.0	-72.34	395.43	8.94	-63.40
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CCCC1	REAL300012687506	0	57	0.0	-72.88	424.46	10.74	-62.14
C[NH+](C)C1(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CCCC1	REAL300012687507	0	57	0.0	-68.35	402.01	8.82	-59.53
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CCCC1	REAL300012687508	0	54	0.0	-57.58	394.09	10.83	-46.75
CC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])C=C1	REAL300012687509	0	51	0.0	-69.44	379.81	8.43	-61.01
C[NH+](C)C1(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CCCC1	REAL300012687510	0	44	0.0	-62.80	338.20	6.37	-56.43
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CCCC1	REAL300012687511	0	54	0.0	-70.56	404.05	9.96	-60.60
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCSCC2)CCCC1	REAL300012687512	0	49	0.0	-71.90	348.05	7.21	-64.69
COCC(C)(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687513	0	48	0.0	-71.50	344.90	5.25	-66.25
CCOCC(C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CCCC1	REAL300012687514	0	51	0.0	-67.35	364.89	6.91	-60.44
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1([NH+](C)C)CCCC1	REAL300012687515	0	57	0.0	-56.68	402.12	11.03	-45.65
C[NH+](C)C1(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CCCC1	REAL300012687516	0	47	0.0	-56.59	362.09	8.53	-48.06
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCCC2)CCCC1	REAL300012687517	0	54	0.0	-67.41	377.61	7.85	-59.56
CN(C(=O)NCC1([NH+](C)C)CCCC1)C(COC1CCC1)C(=O)[O-]	REAL300012687518	0	55	0.0	-67.43	392.05	8.31	-59.12
C[NH+](C)C1(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CCCC1	REAL300012687519	0	55	0.0	-50.89	390.97	11.25	-39.64
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCOCC2)CCCC1	REAL300012687520	0	49	0.0	-71.54	342.13	5.35	-66.19
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1([NH+](C)C)CCCC1	REAL300012687521	0	54	0.0	-53.76	386.42	11.15	-42.61
COC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])C=C1	REAL300012687522	0	52	0.0	-67.74	390.21	6.94	-60.80
CCC(COC)(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687523	0	51	0.0	-73.00	361.33	6.18	-66.82
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CCCC1	REAL300012687524	0	54	0.0	-67.79	385.17	7.66	-60.13
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CCCC1	REAL300012687525	0	51	0.0	-73.07	366.81	3.55	-69.52
COCCC(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687526	0	48	0.0	-68.54	355.95	4.73	-63.81
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1([NH+](C)C)CCCC1	REAL300012687527	0	53	0.0	-67.23	372.76	9.08	-58.15
C[NH+](C)C1(CNC(=O)NC(CC(F)F)C(=O)[O-])CCCC1	REAL300012687528	0	44	0.0	-64.61	333.12	6.12	-58.49
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+](C)C)CCCC1	REAL300012687529	0	54	0.0	-74.52	375.96	9.89	-64.63
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1([NH+](C)C)CCCC1	REAL300012687530	0	54	0.0	-69.58	387.55	11.19	-58.39
CCC(NC(=O)NCC1([NH+](C)C)CCCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012687531	0	54	0.0	-66.87	400.11	9.85	-57.02
CCC(NC(=O)NCC1([NH+](C)C)CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012687532	0	54	0.0	-70.22	383.48	9.35	-60.87
COC1CCCC(C(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])C1	REAL300012687533	0	58	0.0	-74.24	408.72	6.80	-67.44
COC1(CC(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])CCC1	REAL300012687534	0	55	0.0	-69.26	392.48	6.95	-62.31
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCOCC2)CCCC1	REAL300012687535	0	52	0.0	-58.82	365.21	7.31	-51.51
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCCCC2)CCCC1	REAL300012687536	0	54	0.0	-55.30	376.17	9.65	-45.65
C[C@H]1CC[C@@](NC(=O)NCC2([NH+](C)C)CCCC2)(C(=O)[O-])CC1	REAL300012687537	0	54	0.0	-70.51	367.75	8.15	-62.36
COC1=CC=CC(C(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])=C1	REAL300012687538	0	52	0.0	-70.42	390.20	6.92	-63.50
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CCCC1	REAL300012687539	0	48	0.0	-70.26	373.72	8.16	-62.10
C[NH+](C)C1(CNC(=O)NC(C)(CCF)C(=O)[O-])CCCC1	REAL300012687540	0	47	0.0	-64.68	333.24	6.11	-58.57
C[NH+](C)C1(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CCCC1	REAL300012687541	0	49	0.0	-50.89	354.00	8.05	-42.84
C[NH+](C)C1(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CCCC1	REAL300012687542	0	45	0.0	-68.55	336.39	7.26	-61.29
COC1=CC=CC([C@H](NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])=C1	REAL300012687543	0	52	0.0	-71.91	388.15	6.96	-64.95
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CCCC2)C1	REAL300012687544	0	54	0.0	-77.18	384.99	8.88	-68.30
COC1=CC=CC(CC(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])=C1	REAL300012687545	0	55	0.0	-68.67	410.15	7.98	-60.69
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CCCC1	REAL300012687546	0	57	0.0	-77.37	378.03	8.46	-68.91
C[NH+](C)C1(CNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CCCC1	REAL300012687547	0	54	0.0	-66.65	400.81	9.33	-57.32
C[NH+](C)C1(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CCCC1	REAL300012687548	0	53	0.0	-65.51	394.73	9.12	-56.39
COC1CN(C(=O)NCC2([NH+](C)C)CCCC2)C(C)(C(=O)[O-])C1	REAL300012687549	0	52	0.0	-75.35	373.11	7.05	-68.30
C[NH+](C)C1(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])CCCC1	REAL300012687550	0	55	0.0	-67.14	389.44	7.18	-59.96
C=C(Cl)CC(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687551	0	45	0.0	-65.30	350.97	6.72	-58.58
C[NH+](C)C1(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CCCC1	REAL300012687552	0	49	0.0	-85.14	345.02	8.92	-76.22
C[NH+](C)C1(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CCCC1	REAL300012687553	0	54	0.0	-67.31	390.49	8.88	-58.43
C[NH+](C)C1(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CCCC1	REAL300012687554	0	45	0.0	-71.75	333.32	7.13	-64.62
C[NH+](C)C1(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CCCC1	REAL300012687555	0	45	0.0	-71.41	327.77	7.60	-63.81
C[NH+](C)C1(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])CCCC1	REAL300012687556	0	55	0.0	-69.32	393.14	6.43	-62.89
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCOCC2)CCCC1	REAL300012687557	0	52	0.0	-68.94	368.46	5.43	-63.51
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CCCC1	REAL300012687558	0	48	0.0	-69.72	358.67	7.68	-62.04
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300012687559	0	51	0.0	-68.49	397.39	8.66	-59.83
C[NH+](C)C1(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CCCC1	REAL300012687560	0	47	0.0	-69.64	369.51	5.75	-63.89
CC(C)CCCC(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687561	0	56	0.0	-68.05	404.34	8.50	-59.55
C[NH+](C)C1(CNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CCCC1	REAL300012687562	0	54	0.0	-72.00	410.51	9.06	-62.94
C[NH+](C)C1(CNC(=O)NC(CC2CCCO2)C(=O)[O-])CCCC1	REAL300012687563	0	52	0.0	-71.01	380.72	5.94	-65.07
CSCC(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687564	0	45	0.0	-66.30	346.22	5.95	-60.35
C[NH+](C)C1(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CCCC1	REAL300012687565	0	51	0.0	-66.96	389.36	8.65	-58.31
CCC(C)CC(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687566	0	53	0.0	-68.55	379.21	7.61	-60.94
C=CCCCC(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687567	0	51	0.0	-68.65	378.33	7.71	-60.94
C[NH+](C)C1(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CCCC1	REAL300012687568	0	51	0.0	-67.28	387.05	8.75	-58.53
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CCCC1	REAL300012687569	0	54	0.0	-71.23	401.32	9.79	-61.44
C[NH+](C)C1(CNC(=O)N2CCSCC2C(=O)[O-])CCCC1	REAL300012687570	0	46	0.0	-76.25	330.99	8.50	-67.75
C[NH+](C)C1(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CCCC1	REAL300012687571	0	51	0.0	-68.78	368.23	8.43	-60.35
C[NH+](C)C1(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CCCC1	REAL300012687572	0	49	0.0	-79.47	339.88	8.99	-70.48
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CCCC1	REAL300012687573	0	44	0.0	-62.95	337.08	7.89	-55.06
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CCCC1	REAL300012687574	0	44	0.0	-62.95	337.08	7.89	-55.06
C[NH+](C)C1(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CCCC1	REAL300012687575	0	57	0.0	-56.68	410.80	5.87	-50.81
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2([NH+](C)C)CCCC2)CC1	REAL300012687576	1	61	0.0	-59.48	432.83	5.60	-53.88
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1([NH+](C)C)CCCC1	REAL300012687577	0	52	0.0	-75.55	370.29	11.06	-64.49
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2([NH+](C)C)CCCC2)[C@H]1C(=O)[O-]	REAL300012687578	0	55	0.0	-62.29	385.88	10.75	-51.54
C[NH+](C)C1(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CCCC1	REAL300012687579	0	53	0.0	-65.24	376.44	8.54	-56.70
C[NH+](C)C1(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CCCC1	REAL300012687580	0	48	0.0	-69.43	358.45	7.75	-61.68
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CCCC1	REAL300012687581	0	51	0.0	-65.40	397.17	8.76	-56.64
C[NH+](C)C1(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CCCC1	REAL300012687582	0	53	0.0	-73.62	399.99	7.60	-66.02
C[NH+](C)C1(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CCCC1	REAL300012687583	0	47	0.0	-71.46	367.46	5.62	-65.84
C[NH+](C)C1(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CCCC1	REAL300012687584	0	48	0.0	-67.60	388.15	7.38	-60.22
C[NH+](C)C1(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CCCC1	REAL300012687585	0	48	0.0	-87.36	350.10	4.84	-82.52
CN1CC(C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CCCC2)CC1=O	REAL300012687586	0	49	0.0	-69.22	347.16	6.38	-62.84
C[NH+](C)C1(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CCCC1	REAL300012687587	0	48	0.0	-71.23	360.04	7.66	-63.57
C[NH+](C)C1(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CCCC1	REAL300012687588	0	51	0.0	-68.94	372.63	7.03	-61.91
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])C2CCCC2)CCCC1	REAL300012687589	0	51	0.0	-54.96	358.78	8.95	-46.01
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CCCC1	REAL300012687590	0	49	0.0	-72.63	354.25	3.34	-69.29
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687591	0	57	0.0	-72.26	404.36	6.73	-65.53
CC1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)(C(=O)[O-])C1	REAL300012687592	0	51	0.0	-71.44	355.89	7.06	-64.38
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CCCC1	REAL300012687593	0	54	0.0	-71.78	366.38	7.93	-63.85
COCCC(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687594	0	48	0.0	-68.54	355.95	4.73	-63.81
CN(C(=O)NCC1([NH+](C)C)CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012687595	0	54	0.0	-68.71	391.43	10.73	-57.98
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CCCC1	REAL300012687596	0	51	0.0	-73.11	358.40	7.77	-65.34
CC1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012687597	0	58	0.0	-69.70	409.09	9.96	-59.74
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687598	0	57	0.0	-66.68	407.75	6.90	-59.78
C[NH+](C)C1(CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CCCC1	REAL300012687599	0	56	0.0	-50.97	398.82	10.87	-40.10
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCOC2)CCCC1	REAL300012687600	0	49	0.0	-64.76	351.69	4.57	-60.19
C[NH+](C)C1(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CCCC1	REAL300012687601	0	49	0.0	-83.35	345.65	8.63	-74.72
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CCCC1	REAL300012687602	0	52	0.0	-75.52	390.21	7.75	-67.77
C[NH+](C)C1(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CCCC1	REAL300012687603	0	47	0.0	-77.46	333.92	6.12	-71.34
CC1CCC(C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CCCC2)C1	REAL300012687604	0	51	0.0	-78.37	351.91	9.15	-69.22
CC(C1=CC=CC=C1)C(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687605	0	54	0.0	-69.74	388.63	8.69	-61.05
C[NH+](C)C1(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CCCC1	REAL300012687606	0	55	0.0	-71.50	396.39	8.72	-62.78
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CCCC1	REAL300012687607	0	61	0.0	-74.99	414.27	8.10	-66.89
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCCC2)CCCC1	REAL300012687608	0	54	0.0	-67.41	377.61	7.85	-59.56
C[NH+](C)C1(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])CCCC1	REAL300012687609	0	55	0.0	-71.89	396.72	6.78	-65.11
C[NH+](C)C1(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CCCC1	REAL300012687610	0	55	0.0	-54.46	367.88	9.28	-45.18
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CCCC1	REAL300012687611	0	55	0.0	-76.39	370.66	6.35	-70.04
C[NH+](C)C1(CNC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CCCC1	REAL300012687612	0	54	0.0	-70.31	411.77	10.17	-60.14
CC1=CC=CC2=C1CCN(C(=O)NCC1([NH+](C)C)CCCC1)C2C(=O)[O-]	REAL300012687613	0	55	0.0	-55.40	389.08	10.41	-44.99
C[NH+](C)C1(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CCCC1	REAL300012687614	0	49	0.0	-58.08	344.78	8.51	-49.57
C[NH+](C)C1(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CCCC1	REAL300012687615	0	55	0.0	-71.50	396.39	8.72	-62.78
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CCCC1	REAL300012687616	0	51	0.0	-69.97	389.13	8.72	-61.25
COC1CC(NC(=O)NCC2([NH+](C)C)CCCC2)(C(=O)[O-])C1	REAL300012687617	0	49	0.0	-79.15	355.44	5.00	-74.15
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CCCC1	REAL300012687618	0	45	0.0	-70.25	332.07	6.34	-63.91
CO[C@H]1C[C@](NC(=O)NCC2([NH+](C)C)CCCC2)(C(=O)[O-])C1	REAL300012687619	0	49	0.0	-68.09	357.05	5.14	-62.95
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CCCC1	REAL300012687620	0	48	0.0	-64.68	362.95	7.57	-57.11
CCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+](C)C)CCCC1	REAL300012687621	0	51	0.0	-75.68	354.72	9.35	-66.33
C[NH+](C)C1(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CCCC1	REAL300012687622	0	44	0.0	-62.80	338.20	6.37	-56.43
C[NH+](C)C1(CNC(=O)NC(CC2CCOC2)C(=O)[O-])CCCC1	REAL300012687623	0	52	0.0	-68.62	378.10	5.65	-62.97
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CCCC1	REAL300012687624	0	48	0.0	-65.65	375.16	7.58	-58.07
COCC(NC(=O)NCC1([NH+](C)C)CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012687625	0	55	0.0	-68.75	399.68	7.68	-61.07
C[NH+](C)C1(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CCCC1	REAL300012687626	0	49	0.0	-75.50	344.68	8.27	-67.23
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1([NH+](C)C)CCCC1	REAL300012687627	0	54	0.0	-69.58	387.55	11.19	-58.39
C[NH+](C)C1(CNC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CCCC1	REAL300012687628	0	55	0.0	-71.55	419.30	8.21	-63.34
C[NH+](C)C1(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CCCC1	REAL300012687629	0	57	0.0	-68.35	402.01	8.82	-59.53
C[NH+](C)C1(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CCCC1	REAL300012687630	0	54	0.0	-72.25	405.09	9.36	-62.89
C[NH+](C)C1(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CCCC1	REAL300012687631	0	54	0.0	-67.74	405.92	9.35	-58.39
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CCCC1	REAL300012687632	0	55	0.0	-68.59	386.80	8.21	-60.38
C[NH+](C)C1(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CCCC1	REAL300012687633	0	57	0.0	-68.64	402.91	8.85	-59.79
C[NH+](C)C1(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CCCC1	REAL300012687634	0	57	0.0	-72.71	404.85	8.76	-63.95
C[NH+](C)C1(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CCCC1	REAL300012687635	0	55	0.0	-49.87	384.93	9.39	-40.48
C[NH+](C)C1(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CCCC1	REAL300012687636	0	55	0.0	-76.55	380.10	9.19	-67.36
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CCCC1	REAL300012687637	0	55	0.0	-72.33	425.07	8.18	-64.15
COC1=CC=C(CC(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])C=C1	REAL300012687638	0	55	0.0	-69.37	410.38	7.91	-61.46
C=CCSCC(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687639	0	49	0.0	-65.70	380.25	7.48	-58.22
C[NH+](C)C1(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CCCC1	REAL300012687640	0	52	0.0	-68.14	400.88	9.02	-59.12
C[NH+](C)C1(CNC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CCCC1	REAL300012687641	0	55	0.0	-74.28	412.76	8.89	-65.39
COC1(C(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])CCC1	REAL300012687642	0	52	0.0	-67.85	371.63	5.20	-62.65
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CCCC1	REAL300012687643	0	54	0.0	-70.42	382.87	8.39	-62.03
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CCCC1	REAL300012687644	0	55	0.0	-75.33	388.32	9.47	-65.86
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CCCC1	REAL300012687645	0	48	0.0	-67.13	352.09	6.79	-60.34
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CCCC1	REAL300012687647	0	60	0.0	-69.47	434.85	9.99	-59.48
CC(C)C1=CC=C(C(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])C=C1	REAL300012687648	0	57	0.0	-69.01	418.65	9.69	-59.32
C[NH+](C)C1(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CCCC1	REAL300012687649	0	45	0.0	-71.41	327.77	7.60	-63.81
C[NH+](C)C1(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CCCC1	REAL300012687650	0	47	0.0	-48.57	335.78	8.03	-40.54
C[NH+](C)C1(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CCCC1	REAL300012687651	0	51	0.0	-75.80	353.57	8.02	-67.78
CCOC1=CC=C(C(NC(=O)NCC2([NH+](C)C)CCCC2)C(=O)[O-])C=C1	REAL300012687652	0	55	0.0	-69.00	409.78	7.97	-61.03
C[NH+](C)C1(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CCCC1	REAL300012687653	0	55	0.0	-75.28	376.47	10.18	-65.10
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CCCC1	REAL300012687654	0	55	0.0	-68.78	399.12	9.57	-59.21
C[NH+](C)C1(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CCCC1	REAL300012687655	0	55	0.0	-73.61	401.11	8.71	-64.90
C[NH+](C)C1(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CCCC1	REAL300012687656	0	51	0.0	-71.60	394.66	8.67	-62.93
CC(C)CCC(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687657	0	53	0.0	-68.27	382.84	7.73	-60.54
C[NH+](C)C1(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CCCC1	REAL300012687658	0	52	0.0	-49.08	367.36	8.70	-40.38
C[NH+](C)C1(CNC(=O)NC(CC2CCOC2)C(=O)[O-])CCCC1	REAL300012687659	0	52	0.0	-68.62	378.10	5.65	-62.97
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CCCC2)C1	REAL300012687660	0	49	0.0	-72.01	365.52	8.47	-63.54
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CCCC1	REAL300012687661	0	52	0.0	-73.02	357.86	8.46	-64.56
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CCC3CC32)CCCC1	REAL300012687662	0	49	0.0	-72.73	345.00	7.55	-65.18
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CCCC1	REAL300012687663	0	52	0.0	-71.19	364.52	7.68	-63.51
CN(C(=O)NCC1([NH+](C)C)CCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012687664	0	54	0.0	-65.63	392.02	10.61	-55.02
C[NH+](C)C1(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CCCC1	REAL300012687665	0	58	0.0	-58.56	399.05	9.79	-48.77
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCC2)CCCC1	REAL300012687666	0	51	0.0	-67.60	360.74	7.09	-60.51
CO[C@H](C)[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687667	0	48	0.0	-72.61	354.52	4.80	-67.81
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CCCC1	REAL300012687668	0	51	0.0	-59.26	379.42	10.42	-48.84
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CCCC1	REAL300012687669	0	58	0.0	-69.77	432.62	11.16	-58.61
C[NH+](C)C1(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CCCC1	REAL300012687670	0	51	0.0	-58.85	362.90	8.12	-50.73
C[NH+](C)C1(CNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CCCC1	REAL300012687671	0	52	0.0	-75.74	378.18	10.36	-65.38
C[NH+](C)C1(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CCCC1	REAL300012687672	0	48	0.0	-75.85	341.84	8.38	-67.47
C[NH+](C)C1(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CCCC1	REAL300012687673	0	45	0.0	-82.46	330.32	7.43	-75.03
C[NH+](C)C1(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CCCC1	REAL300012687674	0	51	0.0	-69.97	389.13	8.72	-61.25
C[NH+](C)C1(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CCCC1	REAL300012687675	0	48	0.0	-68.19	371.53	7.62	-60.57
C[NH+](C)C1(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CCCC1	REAL300012687676	0	48	0.0	-71.46	352.47	8.15	-63.31
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CCCC1	REAL300012687677	0	52	0.0	-72.80	387.46	8.32	-64.48
C[NH+](C)C1(CNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CCCC1	REAL300012687678	0	56	0.0	-73.05	408.70	9.92	-63.13
C[NH+](C)C1(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CCCC1	REAL300012687679	0	48	0.0	-68.19	371.53	7.62	-60.57
C[NH+](C)C1(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CCCC1	REAL300012687680	0	52	0.0	-76.74	357.42	8.33	-68.41
COCCCC(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687681	0	51	0.0	-68.02	377.69	5.44	-62.58
CCOCC(NC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300012687682	0	48	0.0	-70.75	356.23	4.80	-65.95
C[NH+](C)C1(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CCCC1	REAL300012687683	0	53	0.0	-69.24	373.52	7.99	-61.25
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2CCCCO2)CCCC1	REAL300012687684	0	52	0.0	-74.72	375.76	6.12	-68.60
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CCCC1	REAL300012687685	0	48	0.0	-66.93	381.99	8.25	-58.68
C[NH+](C)C1(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CCCC1	REAL300012687686	0	52	0.0	-69.66	374.97	8.59	-61.07
C[C@H]1OCCN(C(=O)NCC2([NH+](C)C)CCCC2)[C@@H]1C(=O)[O-]	REAL300012687687	0	49	0.0	-79.06	346.06	7.03	-72.03
C[NH+](C)C1(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CCCC1	REAL300012687688	0	51	0.0	-68.58	364.04	8.51	-60.07
C[NH+](C)C1(CNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CCCC1	REAL300012687689	0	62	0.0	-70.48	412.73	9.52	-60.96
C[NH+](C)C1(CNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CCCC1	REAL300012687690	0	54	0.0	-71.12	412.63	8.89	-62.23
C[NH+](C)C1(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CCCC1	REAL300012687691	0	48	0.0	-59.94	361.10	8.56	-51.38
C[NH+](C)C1(CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CCCC1	REAL300012687692	0	59	0.0	-74.31	394.97	9.05	-65.26
C[NH+](C)C1(CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CCCC1	REAL300012687693	0	50	0.0	-65.61	392.67	7.25	-58.36
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+](C)C)CCCC2)C1	REAL300012687694	0	52	0.0	-74.49	376.60	7.51	-66.98
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)N2CCOCC2)CC1	REAL300012687884	0	62	0.0	-62.32	446.91	4.31	-58.01
CC(C)C[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688017	0	51	0.0	-68.48	388.41	7.45	-61.03
C=CCOCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688018	0	50	0.0	-69.80	396.20	5.83	-63.97
C=CC(C)C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688019	0	49	0.0	-65.90	381.12	7.20	-58.70
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCOCC1	REAL300012688020	0	53	0.0	-69.62	400.21	6.15	-63.47
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC=C(F)C(F)=C1	REAL300012688021	0	49	0.0	-61.09	398.83	8.37	-52.72
COC1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012688022	0	53	0.0	-78.46	389.84	8.18	-70.28
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCCOC1	REAL300012688023	0	53	0.0	-64.12	394.08	5.99	-58.13
CC1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012688024	0	52	0.0	-77.54	373.34	9.41	-68.13
CC1=CC(C(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(=O)[O-])=CC=C1F	REAL300012688025	0	52	0.0	-64.35	413.07	8.87	-55.48
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC=C2OCCC2=C1	REAL300012688026	0	54	0.0	-67.14	422.25	8.00	-59.14
CC1=CC(C(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(=O)[O-])=CC(C)=C1	REAL300012688027	0	55	0.0	-67.54	429.19	9.49	-58.05
CC1=CC=C(C(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(=O)[O-])C=C1C	REAL300012688028	0	55	0.0	-67.23	424.55	9.45	-57.78
CC1=CC=CC(C(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(=O)[O-])=C1C	REAL300012688029	0	55	0.0	-68.62	416.32	9.19	-59.43
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688030	0	48	0.0	-45.51	369.02	8.61	-36.90
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCC1	REAL300012688031	0	52	0.0	-31.87	378.00	9.87	-22.00
CCCN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(COC)C(=O)[O-]	REAL300012688032	0	55	0.0	-67.50	408.28	7.96	-59.54
CCCN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(CC)C(=O)[O-]	REAL300012688033	0	54	0.0	-48.05	396.46	10.42	-37.63
CC(C)C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688034	0	48	0.0	-67.62	361.02	6.46	-61.16
O=C([O-])C1CCCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688035	0	49	0.0	-77.98	359.77	9.15	-68.83
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC=C(Cl)C=C1	REAL300012688036	0	49	0.0	-65.28	403.05	8.68	-56.60
O=C([O-])C1CSCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688037	0	47	0.0	-76.04	359.67	9.16	-66.88
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCCCC1	REAL300012688038	0	52	0.0	-72.94	379.15	8.26	-64.68
O=C([O-])C1CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688039	0	46	0.0	-75.04	348.93	8.00	-67.04
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCCC1	REAL300012688040	0	49	0.0	-70.28	365.18	7.20	-63.08
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCCCCC1	REAL300012688041	0	55	0.0	-71.41	385.35	8.98	-62.43
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688042	0	52	0.0	-70.56	408.01	9.07	-61.49
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688043	0	52	0.0	-48.84	407.11	10.91	-37.93
O=C([O-])[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012688044	0	49	0.0	-66.43	386.22	8.24	-58.19
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012688045	0	49	0.0	-67.61	385.71	8.19	-59.42
CCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688046	0	45	0.0	-67.78	349.34	6.11	-61.67
CC(C)C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688047	0	48	0.0	-67.62	361.02	6.46	-61.16
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688048	0	52	0.0	-70.56	408.01	9.07	-61.49
CCC(C)C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688049	0	51	0.0	-66.06	379.16	6.99	-59.07
O=C([O-])C1CCCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688050	0	49	0.0	-77.98	359.77	9.15	-68.83
CCCC(C)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688051	0	51	0.0	-66.76	375.22	7.17	-59.59
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688052	0	48	0.0	-46.68	357.63	8.13	-38.55
O=C([O-])CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CC1	REAL300012688053	0	46	0.0	-41.62	351.13	8.44	-33.18
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688054	0	46	0.0	-45.28	360.33	8.42	-36.86
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688055	0	51	0.0	-44.82	383.42	8.92	-35.90
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688056	0	53	0.0	-79.38	397.92	11.31	-68.07
CC(C)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688057	0	45	0.0	-55.66	340.33	5.43	-50.23
CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)(C(=O)[O-])C1CC1	REAL300012688058	0	49	0.0	-67.80	363.81	7.22	-60.58
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC=CS1	REAL300012688059	0	46	0.0	-64.81	377.99	7.26	-57.55
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCCCC1	REAL300012688060	0	52	0.0	-72.94	379.15	8.26	-64.68
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688061	0	48	0.0	-46.68	357.63	8.13	-38.55
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688062	0	48	0.0	-45.51	369.02	8.61	-36.90
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688063	0	45	0.0	-68.05	348.34	7.64	-60.41
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688064	0	51	0.0	-68.19	380.69	7.10	-61.09
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCCC1	REAL300012688065	0	49	0.0	-70.28	365.18	7.20	-63.08
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688066	0	52	0.0	-47.25	413.52	10.97	-36.28
CCC(C)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688067	0	48	0.0	-66.44	353.72	6.41	-60.03
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC2=CC=CC=C2C1	REAL300012688068	0	53	0.0	-68.65	404.30	9.34	-59.31
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC(F)=CC=C1F	REAL300012688069	0	49	0.0	-66.16	396.94	8.39	-57.77
CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012688070	0	52	0.0	-68.94	394.52	8.94	-60.00
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688071	0	45	0.0	-68.05	348.34	7.64	-60.41
CCCCCCC(C)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688072	0	60	0.0	-66.84	439.71	9.50	-57.34
CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012688073	0	55	0.0	-68.44	417.09	11.09	-57.35
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1	REAL300012688074	0	43	0.0	-73.11	334.47	6.30	-66.81
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC=C(Cl)C=C1	REAL300012688075	0	49	0.0	-65.28	403.05	8.68	-56.60
O=C([O-])C1COCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688076	0	47	0.0	-71.52	358.91	6.51	-65.01
CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1(C(=O)[O-])CCCCC1	REAL300012688077	0	55	0.0	-75.38	388.86	9.72	-65.66
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CC1	REAL300012688078	0	46	0.0	-66.90	357.10	6.58	-60.32
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688079	0	55	0.0	-46.62	428.92	11.64	-34.98
CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012688080	0	52	0.0	-71.32	395.17	10.42	-60.90
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688081	0	49	0.0	-45.68	378.89	7.04	-38.64
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCC2=CC=CC=C21	REAL300012688082	0	53	0.0	-73.83	401.37	9.29	-64.54
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688083	0	46	0.0	-75.83	349.32	7.67	-68.16
O=C([O-])[C@H]1CCCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688084	0	49	0.0	-77.60	359.16	8.93	-68.67
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688085	0	45	0.0	-62.70	340.15	7.00	-55.70
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688086	0	46	0.0	-72.87	357.44	7.97	-64.90
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCC1	REAL300012688087	0	46	0.0	-73.62	350.75	6.76	-66.86
C=CCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688088	0	46	0.0	-68.03	362.86	6.51	-61.52
CC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688089	0	49	0.0	-75.27	366.13	8.54	-66.73
O=C([O-])C1CCCCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688090	0	52	0.0	-71.69	373.51	9.26	-62.43
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CC1	REAL300012688091	0	46	0.0	-66.90	357.10	6.58	-60.32
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688092	0	45	0.0	-63.85	340.10	7.01	-56.84
CCCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688093	0	51	0.0	-67.71	392.34	7.66	-60.05
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688094	0	55	0.0	-46.62	428.92	11.64	-34.98
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688095	0	49	0.0	-75.27	366.06	8.54	-66.73
O=C([O-])CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCCC1	REAL300012688096	0	52	0.0	-43.28	384.46	9.47	-33.81
COCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688097	0	46	0.0	-68.75	361.30	4.33	-64.42
CCCCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688098	0	54	0.0	-67.66	413.84	8.44	-59.22
CCC1CCC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012688099	0	58	0.0	-70.35	418.77	9.56	-60.79
O=C([O-])CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCOCC1	REAL300012688100	0	53	0.0	-44.22	392.89	7.80	-36.42
CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1(C(=O)[O-])CCCC1	REAL300012688101	0	52	0.0	-73.59	375.06	8.86	-64.73
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CC1	REAL300012688102	0	49	0.0	-56.76	366.30	8.21	-48.55
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CC1	REAL300012688103	0	52	0.0	-67.71	382.13	9.64	-58.07
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC=CC=C1Cl	REAL300012688104	0	49	0.0	-70.64	398.24	8.59	-62.05
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC=CC=C1F	REAL300012688105	0	49	0.0	-73.76	389.96	8.25	-65.51
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688106	0	53	0.0	-51.12	400.71	10.54	-40.58
O=C([O-])C(CC1CCCCC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688107	0	58	0.0	-68.70	430.34	9.38	-59.32
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688108	0	55	0.0	-50.03	420.58	11.34	-38.69
CC1=CC=C(C(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012688109	0	52	0.0	-66.55	407.51	8.92	-57.63
O=C([O-])C(CC(F)(F)F)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688110	0	45	0.0	-62.16	365.52	6.75	-55.41
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCSCC1	REAL300012688111	0	50	0.0	-66.95	377.39	8.00	-58.95
COCC(C)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688112	0	49	0.0	-71.16	371.97	5.70	-65.46
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688113	0	52	0.0	-65.05	391.97	7.36	-57.69
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688114	0	51	0.0	-44.82	383.42	8.92	-35.90
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688115	0	58	0.0	-48.10	427.69	11.61	-36.49
O=C([O-])CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CC1	REAL300012688116	0	46	0.0	-41.62	351.13	8.44	-33.18
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688117	0	48	0.0	-46.25	387.15	8.99	-37.26
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCOC1	REAL300012688118	0	47	0.0	-66.10	355.70	4.61	-61.49
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCCCC1	REAL300012688119	0	55	0.0	-68.10	403.91	8.30	-59.80
CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(COC1CCC1)C(=O)[O-]	REAL300012688120	0	56	0.0	-63.21	419.33	8.92	-54.29
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688121	0	56	0.0	-76.34	423.83	12.24	-64.10
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCOCC1	REAL300012688122	0	50	0.0	-72.32	371.12	5.81	-66.51
C=CCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688123	0	49	0.0	-68.18	383.89	7.38	-60.80
O=C([O-])C(CF)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688124	0	42	0.0	-55.71	331.68	5.02	-50.69
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688125	0	55	0.0	-30.94	411.03	11.90	-19.04
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688126	0	45	0.0	-63.85	340.10	7.01	-56.84
CCC(CC)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688127	0	51	0.0	-69.52	370.10	7.31	-62.21
COC1=CC=C(C(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012688128	0	53	0.0	-68.43	415.81	7.46	-60.97
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688129	0	51	0.0	-42.40	380.79	9.34	-33.06
CCC(COC)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688130	0	52	0.0	-74.38	388.41	6.62	-67.76
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688131	0	55	0.0	-65.66	412.24	8.11	-57.55
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCS(=O)(=O)CC1	REAL300012688132	0	52	0.0	-73.18	403.93	4.21	-68.97
O=C([O-])C(CC1CC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688133	0	49	0.0	-66.08	382.31	7.52	-58.56
COCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688134	0	49	0.0	-68.20	383.01	5.17	-63.03
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688135	0	54	0.0	-66.44	399.87	9.43	-57.01
O=C([O-])C(CC(F)F)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688136	0	45	0.0	-68.75	361.93	6.34	-62.41
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688137	0	55	0.0	-78.83	400.74	10.52	-68.31
CCCN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012688138	0	51	0.0	-47.95	375.88	9.35	-38.60
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688139	0	55	0.0	-37.27	416.65	11.86	-25.41
CCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012688140	0	55	0.0	-68.92	411.12	9.84	-59.08
COC1CCCC(C(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(=O)[O-])C1	REAL300012688141	0	59	0.0	-72.18	436.38	7.30	-64.88
O=C([O-])C(CCF)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688142	0	45	0.0	-67.05	355.93	6.25	-60.80
COC1(CC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012688143	0	56	0.0	-71.17	420.11	7.41	-63.76
O=C([O-])CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCOCC1	REAL300012688144	0	53	0.0	-44.22	392.89	7.80	-36.42
O=C([O-])CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCCCC1	REAL300012688145	0	55	0.0	-43.66	401.85	10.18	-33.48
C[C@H]1CC[C@@](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012688146	0	55	0.0	-71.04	402.00	8.66	-62.38
COC1=CC=CC(C(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012688147	0	53	0.0	-70.74	415.02	7.49	-63.25
CC(CCF)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688148	0	48	0.0	-63.84	360.31	6.55	-57.29
O=C([O-])C1C2=C(CCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)OC=C2	REAL300012688149	0	50	0.0	-50.89	382.54	8.60	-42.29
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688150	0	46	0.0	-67.04	370.82	7.82	-59.22
COC1=CC=CC([C@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012688151	0	53	0.0	-70.51	415.58	7.54	-62.97
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688152	0	45	0.0	-64.36	340.13	7.10	-57.26
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300012688153	0	55	0.0	-77.63	414.42	9.87	-67.76
CC1(C)CCCC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012688154	0	58	0.0	-74.84	407.08	9.12	-65.72
O=C([O-])C12CC(C1)CN2C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688155	0	47	0.0	-81.22	356.19	8.63	-72.59
COC1CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(C)(C(=O)[O-])C1	REAL300012688156	0	53	0.0	-72.89	399.34	7.52	-65.37
O=C([O-])C(CC1CCCOC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688157	0	56	0.0	-65.43	421.34	6.99	-58.44
CC(C)(C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688158	0	51	0.0	-68.11	379.46	7.21	-60.90
C=C(Cl)CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688159	0	46	0.0	-62.71	377.81	7.23	-55.48
C=C(C)CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688160	0	49	0.0	-68.79	380.91	7.42	-61.37
O=C([O-])C12CCC(CC1)N2C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688161	0	50	0.0	-83.55	370.56	9.45	-74.10
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688162	0	46	0.0	-67.37	362.26	7.87	-59.50
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688163	0	46	0.0	-72.59	365.07	7.78	-64.81
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300012688164	0	47	0.0	-69.35	371.26	8.05	-61.30
O=C([O-])C(CC1CCOCC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688165	0	56	0.0	-66.01	417.19	7.63	-58.38
CC(C)C[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688166	0	51	0.0	-68.48	388.41	7.45	-61.03
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCOCC1	REAL300012688167	0	53	0.0	-69.62	400.21	6.15	-63.47
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012688168	0	49	0.0	-67.61	385.71	8.19	-59.42
O=C([O-])C(CC1CC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688169	0	49	0.0	-66.08	382.31	7.52	-58.56
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688170	0	48	0.0	-66.40	395.15	6.27	-60.13
CC(C)CCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688171	0	57	0.0	-68.23	431.65	8.89	-59.34
O=C([O-])C(CC1CCCO1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688172	0	53	0.0	-69.96	406.13	6.54	-63.42
CSCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688173	0	46	0.0	-64.39	373.04	6.47	-57.92
COC[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688174	0	46	0.0	-68.99	362.03	4.34	-64.65
CC[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688175	0	45	0.0	-67.41	349.34	6.10	-61.31
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688176	0	52	0.0	-65.99	414.71	9.24	-56.75
CCC(C)CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688177	0	54	0.0	-68.58	405.88	8.08	-60.50
C=CCCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688178	0	52	0.0	-67.96	405.15	8.22	-59.74
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688179	0	52	0.0	-68.73	414.95	9.18	-59.55
O=C([O-])C1CSCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688180	0	47	0.0	-76.04	359.67	9.16	-66.88
CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012688181	0	52	0.0	-68.94	394.52	8.94	-60.00
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688182	0	46	0.0	-75.83	349.32	7.67	-68.16
CCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688183	0	48	0.0	-68.16	371.08	6.82	-61.34
CC(C)[C@@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688184	0	48	0.0	-66.36	367.20	6.65	-59.71
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688185	0	50	0.0	-81.85	371.11	9.53	-72.32
CCN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012688186	0	51	0.0	-70.66	374.69	8.49	-62.17
CCCN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012688187	0	51	0.0	-47.95	375.88	9.35	-38.60
O=C([O-])CN(CC(F)(F)F)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688188	0	45	0.0	-63.82	364.69	7.88	-55.94
O=C([O-])CN(CC(F)(F)F)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688189	0	45	0.0	-63.82	364.69	7.88	-55.94
CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012688190	0	48	0.0	-72.01	354.69	7.98	-64.03
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688191	0	46	0.0	-72.87	357.44	7.97	-64.90
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688192	0	58	0.0	-46.53	435.85	6.34	-40.19
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688193	0	47	0.0	-78.53	360.58	4.29	-74.24
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688194	0	53	0.0	-42.12	403.28	11.03	-31.09
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)[C@H]1C(=O)[O-]	REAL300012688195	0	56	0.0	-53.00	412.77	11.14	-41.86
CCC[C@@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688196	0	48	0.0	-65.42	371.43	6.92	-58.50
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688197	0	54	0.0	-64.75	405.59	9.25	-55.50
O=C([O-])[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012688198	0	49	0.0	-66.43	386.22	8.24	-58.19
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688199	0	54	0.0	-70.56	425.63	8.13	-62.43
C=CCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688200	0	49	0.0	-68.18	383.89	7.38	-60.80
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688201	0	48	0.0	-68.86	394.89	6.17	-62.69
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688202	1	49	0.0	-80.93	386.62	5.51	-75.42
CN1CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1=O	REAL300012688203	0	50	0.0	-68.35	376.32	7.12	-61.23
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688204	0	49	0.0	-75.62	365.65	8.54	-67.08
CC(C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688205	0	48	0.0	-67.00	361.41	6.39	-60.61
O=C([O-])[C@@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012688206	0	49	0.0	-67.65	385.70	8.19	-59.46
CC(CN1C=CC=N1)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688207	0	52	0.0	-67.29	399.86	7.57	-59.72
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688208	0	45	0.0	-64.36	340.13	7.10	-57.26
CCC[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688209	0	48	0.0	-68.10	371.67	6.86	-61.24
CCN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012688210	0	48	0.0	-65.29	359.53	7.57	-57.72
O=C([O-])CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCCC1	REAL300012688211	0	52	0.0	-43.28	384.46	9.47	-33.81
CC(CN(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688212	0	48	0.0	-71.39	360.82	7.54	-63.85
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688213	0	51	0.0	-68.19	380.69	7.10	-61.09
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688214	0	48	0.0	-64.38	361.13	8.13	-56.25
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC(CO)C1	REAL300012688215	0	50	0.0	-71.78	383.57	4.08	-67.70
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688216	0	58	0.0	-70.17	432.80	7.39	-62.78
CC1CCC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012688217	0	52	0.0	-72.80	385.72	7.78	-65.02
CC1(C)CCCC1(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688218	0	55	0.0	-70.28	395.72	8.56	-61.72
COCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688219	0	49	0.0	-68.20	383.01	5.17	-63.03
CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012688220	0	55	0.0	-68.44	417.09	11.09	-57.35
CC1(C)CC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012688221	0	52	0.0	-74.45	387.51	8.50	-65.95
CC1(C(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(=O)[O-])CC1	REAL300012688222	0	49	0.0	-69.13	379.00	7.17	-61.96
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688223	0	58	0.0	-66.28	434.10	7.37	-58.91
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688224	0	47	0.0	-78.55	359.73	4.47	-74.08
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCOC1	REAL300012688225	0	50	0.0	-66.00	376.96	5.13	-60.87
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688226	0	50	0.0	-80.28	371.13	9.13	-71.15
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CNC2=CC=CC=C12	REAL300012688227	0	53	0.0	-75.81	418.27	8.23	-67.58
O=C([O-])C12COC(CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C2	REAL300012688228	0	48	0.0	-76.63	363.75	6.77	-69.86
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300012688229	0	52	0.0	-78.48	380.56	9.84	-68.64
CC(C1=CC=CC=C1)C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688230	0	55	0.0	-67.67	415.42	9.15	-58.52
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688231	0	56	0.0	-66.35	418.43	9.89	-56.46
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCC1	REAL300012688232	0	49	0.0	-66.02	369.86	7.04	-58.98
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCCCC1	REAL300012688233	0	55	0.0	-68.10	403.91	8.30	-59.80
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCC1	REAL300012688234	0	49	0.0	-66.02	369.86	7.04	-58.98
CC1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1C(=O)[O-]	REAL300012688235	0	49	0.0	-76.51	370.28	8.30	-68.21
C=CCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688236	0	46	0.0	-68.03	362.86	6.51	-61.52
O=C([O-])C(CC1CCCCO1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688237	0	56	0.0	-64.18	422.18	7.89	-56.29
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688238	0	56	0.0	-40.73	395.55	9.83	-30.90
CC1(C)CC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)(C(=O)[O-])CCO1	REAL300012688239	0	56	0.0	-71.13	400.19	7.09	-64.04
CC1=CC=CC2=C1CCN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C2C(=O)[O-]	REAL300012688240	0	56	0.0	-50.82	418.14	11.09	-39.73
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688241	0	50	0.0	-51.25	380.65	8.99	-42.26
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688242	0	56	0.0	-66.35	418.43	9.89	-56.46
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688243	0	52	0.0	-73.18	414.42	9.14	-64.04
COC1CC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012688244	0	50	0.0	-74.63	384.68	5.77	-68.86
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC(F)(F)C1	REAL300012688245	0	46	0.0	-72.59	359.18	6.78	-65.81
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012688246	0	50	0.0	-69.24	382.33	5.67	-63.57
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1(C(F)(F)F)CC1	REAL300012688247	0	49	0.0	-62.02	390.68	7.52	-54.50
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688248	0	52	0.0	-73.20	381.35	9.72	-63.48
O=C([O-])C(CC(F)(F)F)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688249	0	45	0.0	-62.16	365.52	6.75	-55.41
O=C([O-])C(CC1CCOC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688250	0	53	0.0	-71.50	403.39	6.06	-65.44
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)COC1	REAL300012688251	0	44	0.0	-67.15	341.57	3.79	-63.36
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688252	0	49	0.0	-70.12	400.49	8.16	-61.96
CC(C)C(C)(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688253	0	51	0.0	-67.78	370.45	7.10	-60.68
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688254	0	47	0.0	-79.47	355.06	9.20	-70.27
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688255	0	50	0.0	-75.77	380.81	8.73	-67.04
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688256	0	55	0.0	-37.27	416.65	11.86	-25.41
O=C([O-])C(CC1CCCCC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688257	0	58	0.0	-68.70	430.34	9.38	-59.32
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688258	0	55	0.0	-68.86	430.75	9.89	-58.97
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688259	0	55	0.0	-67.48	431.69	9.87	-57.61
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CC2CCC1C2	REAL300012688260	0	56	0.0	-69.21	410.13	8.70	-60.51
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688261	0	58	0.0	-66.68	430.57	9.28	-57.40
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688262	0	58	0.0	-69.09	430.56	9.32	-59.77
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688263	0	56	0.0	-42.33	411.61	9.92	-32.41
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688264	0	56	0.0	-71.43	414.98	9.76	-61.67
C=CCSCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688265	0	50	0.0	-64.39	407.32	7.92	-56.47
N#CC1=CC=C(CC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012688266	0	53	0.0	-68.21	429.44	9.50	-58.71
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688267	0	51	0.0	-66.10	376.80	8.63	-57.47
COC1(C(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012688268	0	53	0.0	-64.04	398.01	5.78	-58.26
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCC(C(F)F)CC1	REAL300012688269	0	55	0.0	-67.11	411.30	9.12	-57.99
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCC2=CC=CC=C2C1	REAL300012688270	0	56	0.0	-70.30	417.65	10.23	-60.07
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC(C(F)F)C1	REAL300012688271	0	49	0.0	-66.40	381.42	7.54	-58.86
CC(C)C1=CC=C(C(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012688273	0	58	0.0	-66.58	446.57	10.09	-56.49
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688274	0	46	0.0	-72.59	365.07	7.78	-64.81
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688275	0	48	0.0	-42.12	365.03	8.82	-33.30
CC1(C)CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1C(=O)[O-]	REAL300012688276	0	52	0.0	-74.88	385.08	8.64	-66.24
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688277	0	56	0.0	-79.63	404.79	10.94	-68.69
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCC2=CC=CC=C21	REAL300012688278	0	56	0.0	-66.12	426.78	10.05	-56.07
CC(C)CCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688279	0	54	0.0	-68.38	410.15	8.12	-60.26
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688280	0	53	0.0	-49.88	398.13	9.04	-40.84
O=C([O-])C(CC1CCOC1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688281	0	53	0.0	-71.50	403.39	6.06	-65.44
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300012688282	0	50	0.0	-69.08	400.94	9.16	-59.92
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCCC2CC21	REAL300012688283	0	53	0.0	-74.93	385.55	8.94	-65.99
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCC2CC21	REAL300012688284	0	50	0.0	-74.54	372.68	8.04	-66.50
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC2(CCC2)C1	REAL300012688285	0	53	0.0	-70.33	393.93	8.43	-61.90
CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012688286	0	55	0.0	-65.94	419.13	11.07	-54.87
O=C([O-])C1CC2(CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)CCCCC2	REAL300012688287	0	59	0.0	-41.83	424.31	10.42	-31.41
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCCC1	REAL300012688288	0	52	0.0	-66.55	391.97	7.82	-58.73
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688289	0	49	0.0	-68.85	380.29	5.33	-63.52
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688290	0	49	0.0	-71.02	363.81	7.28	-63.74
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688291	0	52	0.0	-48.84	407.11	10.91	-37.93
CC1(C)CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300012688292	0	52	0.0	-36.19	388.79	8.79	-27.40
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688293	0	49	0.0	-75.68	370.62	9.16	-66.52
O=C([O-])C1N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCC1(F)F	REAL300012688294	0	46	0.0	-79.80	360.61	8.13	-71.67
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688295	0	52	0.0	-73.18	414.42	9.14	-64.04
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688296	0	49	0.0	-69.47	399.43	8.02	-61.45
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688297	0	49	0.0	-68.37	378.11	8.67	-59.70
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC2(CC(F)(F)C2)C1	REAL300012688298	0	53	0.0	-74.25	412.77	8.79	-65.46
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688299	0	49	0.0	-69.47	399.43	8.02	-61.45
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688300	0	53	0.0	-71.73	395.97	9.34	-62.39
COCCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688301	0	52	0.0	-67.27	404.75	5.89	-61.38
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688302	0	51	0.0	-64.74	382.56	8.96	-55.78
CCOCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688303	0	49	0.0	-69.08	383.16	5.31	-63.77
CC(C)(C)CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688304	0	54	0.0	-66.56	399.44	8.48	-58.08
O=C([O-])C(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CCCCO1	REAL300012688305	0	53	0.0	-67.34	398.91	6.25	-61.09
O=C([O-])C1(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC2=CC=CC=C2C1	REAL300012688306	0	53	0.0	-68.65	404.30	9.34	-59.31
C[C@H]1OCCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)[C@@H]1C(=O)[O-]	REAL300012688307	0	50	0.0	-77.18	371.03	7.53	-69.65
N#CCCC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300012688308	0	46	0.0	-70.85	370.44	6.56	-64.29
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688309	0	49	0.0	-46.56	383.18	8.80	-37.76
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300012688310	0	45	0.0	-62.70	340.15	7.00	-55.70
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300012688311	0	53	0.0	-71.16	399.74	7.97	-63.19
C=CCOCC(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688312	0	49	0.0	-71.39	378.76	5.42	-65.97
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012688313	0	52	0.0	-71.74	378.65	5.40	-66.34
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012688314	0	48	0.0	-66.56	377.51	7.55	-59.01
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012688315	0	48	0.0	-66.44	387.40	8.00	-58.44
COC1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)C(C(=O)[O-])C1	REAL300012688316	0	52	0.0	-79.74	372.93	7.91	-71.83
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012688317	0	52	0.0	-69.74	376.74	5.40	-64.34
CC(C)[NH+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012688318	0	51	0.0	-77.15	362.97	9.09	-68.06
CC1=CC(C(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])=CC=C1F	REAL300012688319	0	51	0.0	-68.65	391.26	8.20	-60.45
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012688320	0	53	0.0	-71.44	400.46	7.35	-64.09
CC1=CC(C)=CC(C(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300012688321	0	54	0.0	-71.34	411.04	9.06	-62.28
CC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1C	REAL300012688322	0	54	0.0	-73.13	403.23	8.63	-64.50
COC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1Cl	REAL300012688323	0	52	0.0	-69.33	410.09	7.36	-61.97
CC1=CC=CC(C(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1C	REAL300012688324	0	54	0.0	-73.16	394.77	8.44	-64.72
COC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1F	REAL300012688325	0	52	0.0	-70.15	400.53	6.79	-63.36
CC(C)[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012688326	0	51	0.0	-51.96	353.49	8.96	-43.00
CCCN(C(=O)NC1CC[NH+](C(C)C)CC1)C(COC)C(=O)[O-]	REAL300012688327	0	54	0.0	-72.05	394.56	9.06	-62.99
CCCN(C(=O)NC1CC[NH+](C(C)C)CC1)C(CC)C(=O)[O-]	REAL300012688328	0	53	0.0	-62.51	377.89	9.13	-53.38
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012688329	0	48	0.0	-68.89	380.89	7.98	-60.91
CC(C)[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012688330	0	46	0.0	-76.30	338.23	8.27	-68.03
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012688331	0	51	0.0	-75.16	358.15	7.56	-67.60
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012688332	0	54	0.0	-75.82	363.81	8.22	-67.60
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012688333	0	51	0.0	-73.05	386.81	8.43	-64.62
CC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012688334	0	51	0.0	-58.37	389.21	10.41	-47.96
CC(C)[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012688335	0	48	0.0	-71.90	364.57	7.50	-64.40
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012688336	0	48	0.0	-73.07	364.78	7.43	-65.64
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012688337	0	51	0.0	-73.05	386.81	8.43	-64.62
CC(C)[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012688338	0	52	0.0	-78.01	379.93	10.65	-67.36
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012688339	0	45	0.0	-69.15	360.07	6.74	-62.41
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012688340	0	51	0.0	-75.16	358.15	7.56	-67.60
CC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012688341	0	51	0.0	-55.18	402.28	10.70	-44.48
CC(C)[NH+]1CCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012688342	0	55	0.0	-73.74	415.28	8.46	-65.28
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NC2CC[NH+](C(C)C)CC2)=C1	REAL300012688343	0	59	0.0	-61.62	444.55	8.78	-52.84
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300012688344	0	48	0.0	-68.73	385.45	8.08	-60.65
CC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012688345	0	51	0.0	-55.43	391.96	10.24	-45.19
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012688346	0	52	0.0	-72.49	387.78	8.96	-63.53
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012688347	0	48	0.0	-71.55	375.40	7.64	-63.91
CC(C)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012688348	0	51	0.0	-71.57	376.23	8.44	-63.13
CCCCCCC(C)(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688349	0	59	0.0	-68.66	422.41	9.04	-59.62
CC(C)[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012688350	0	54	0.0	-68.79	399.78	10.63	-58.16
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012688351	0	48	0.0	-68.89	380.89	7.98	-60.91
CC(C)[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012688352	0	54	0.0	-76.82	367.41	8.87	-67.95
CC(C)[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012688353	0	54	0.0	-58.38	407.96	10.96	-47.42
CC(C)[NH+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012688354	0	51	0.0	-70.01	376.02	9.20	-60.81
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C)CC1	REAL300012688355	0	48	0.0	-59.15	361.58	6.59	-52.56
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012688356	0	52	0.0	-75.74	379.69	8.52	-67.22
CC(C)[NH+]1CCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012688357	0	55	0.0	-78.83	420.95	8.31	-70.52
CC(C)[NH+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012688358	0	51	0.0	-79.07	351.48	8.91	-70.16
CC(C)[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012688359	0	54	0.0	-58.38	407.96	10.96	-47.42
CC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012688360	0	51	0.0	-55.32	356.83	8.52	-46.80
CCCCCC(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688361	0	53	0.0	-68.86	396.53	7.97	-60.89
CCC1CCC(NC(=O)NC2CC[NH+](C(C)C)CC2)(C(=O)[O-])CC1	REAL300012688362	0	57	0.0	-74.96	397.21	8.81	-66.15
CC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012688363	0	52	0.0	-58.61	371.34	7.06	-51.55
CC(C)[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012688364	0	51	0.0	-77.32	354.08	8.15	-69.17
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](C(C)C)CC1)C1CC1	REAL300012688365	0	51	0.0	-57.16	369.24	9.09	-48.07
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012688366	0	48	0.0	-72.18	381.12	8.11	-64.07
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012688367	0	48	0.0	-75.27	372.65	7.81	-67.46
CC(C)[NH+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012688368	0	52	0.0	-59.61	383.29	10.09	-49.52
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012688369	0	51	0.0	-75.81	400.93	8.65	-67.16
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012688370	0	57	0.0	-75.28	430.50	10.49	-64.79
CC(C)[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012688371	0	57	0.0	-72.56	409.01	8.56	-64.00
CC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012688372	0	54	0.0	-56.94	401.39	11.03	-45.91
CC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300012688373	0	51	0.0	-72.31	386.19	8.10	-64.21
CC(C)[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012688374	0	44	0.0	-63.59	347.97	6.36	-57.23
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012688375	0	54	0.0	-73.96	410.18	9.71	-64.25
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012688376	0	49	0.0	-71.27	355.82	7.24	-64.03
COCC(C)(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688377	0	48	0.0	-72.68	354.66	5.24	-67.44
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C)CC1	REAL300012688378	0	51	0.0	-68.87	370.40	6.86	-62.01
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)C)CC1	REAL300012688379	0	57	0.0	-54.68	405.62	10.63	-44.05
CC(C)[NH+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012688380	0	47	0.0	-58.24	369.84	8.54	-49.70
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012688381	0	54	0.0	-73.97	382.36	7.56	-66.41
CC(C)[NH+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012688382	0	55	0.0	-70.11	398.77	8.15	-61.96
CC(C)[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012688383	0	55	0.0	-77.37	406.29	11.76	-65.61
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012688384	0	49	0.0	-71.53	353.21	5.31	-66.22
CC(C)[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012688385	0	54	0.0	-50.54	397.13	11.04	-39.50
COC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300012688386	0	52	0.0	-72.70	394.26	6.73	-65.97
CCC(COC)(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688387	0	51	0.0	-73.90	371.10	6.15	-67.75
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C)CC1	REAL300012688388	0	54	0.0	-69.62	390.49	7.51	-62.11
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012688389	0	51	0.0	-76.11	374.69	3.55	-72.56
COCCC(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688390	0	48	0.0	-69.24	365.71	4.71	-64.53
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)C)CC1	REAL300012688391	0	53	0.0	-68.33	376.91	8.69	-59.64
CC(C)[NH+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012688392	0	44	0.0	-69.89	344.63	5.88	-64.01
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C(C)C)CC1	REAL300012688393	0	54	0.0	-80.01	379.17	9.76	-70.25
CC(C)[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012688394	0	54	0.0	-75.23	399.30	11.27	-63.96
CCC(NC(=O)NC1CC[NH+](C(C)C)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012688395	0	54	0.0	-70.56	406.22	9.58	-60.98
CCC(NC(=O)NC1CC[NH+](C(C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012688396	0	54	0.0	-73.84	389.46	9.06	-64.78
COC1CCCC(C(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])C1	REAL300012688397	0	58	0.0	-75.58	414.15	6.62	-68.96
COC1(CC(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])CCC1	REAL300012688398	0	55	0.0	-69.13	402.63	6.69	-62.44
CC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012688399	0	52	0.0	-58.61	371.34	7.06	-51.55
CC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012688400	0	54	0.0	-56.82	380.29	9.44	-47.38
CC(C)[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012688401	0	54	0.0	-73.91	371.90	7.93	-65.98
COC1=CC=CC(C(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300012688402	0	52	0.0	-74.50	394.31	6.72	-67.78
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300012688403	0	48	0.0	-71.25	384.34	8.18	-63.07
CC(C)[NH+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012688404	0	47	0.0	-65.45	343.00	6.09	-59.36
CC(C)[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012688405	0	49	0.0	-61.29	366.17	8.28	-53.01
CC(C)[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012688406	0	45	0.0	-70.04	346.23	7.25	-62.79
COC1=CC=CC([C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300012688407	0	52	0.0	-74.68	393.69	6.75	-67.93
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)C)CC2)C1	REAL300012688408	0	54	0.0	-76.84	397.34	9.39	-67.45
COC1=CC=CC(CC(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300012688409	0	55	0.0	-72.49	416.51	7.67	-64.82
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012688410	0	57	0.0	-73.26	389.73	8.67	-64.59
CC(C)[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300012688411	0	54	0.0	-69.19	406.91	9.07	-60.12
CC(C)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012688412	0	53	0.0	-68.79	400.81	8.88	-59.91
COC1CN(C(=O)NC2CC[NH+](C(C)C)CC2)C(C)(C(=O)[O-])C1	REAL300012688413	0	52	0.0	-76.21	381.44	6.99	-69.22
CC(C)[NH+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012688414	0	55	0.0	-70.75	395.79	6.86	-63.89
C=C(Cl)CC(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688415	0	45	0.0	-65.24	360.50	6.77	-58.47
CC(C)[NH+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012688416	0	49	0.0	-84.41	349.50	8.68	-75.73
CC(C)[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012688417	0	54	0.0	-69.80	396.60	8.62	-61.18
CC(C)[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012688418	0	45	0.0	-72.29	342.59	7.02	-65.27
CC(C)[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012688419	0	45	0.0	-74.36	338.45	7.19	-67.17
CC(C)[NH+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012688420	0	55	0.0	-72.14	395.89	6.84	-65.30
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012688421	0	52	0.0	-71.74	378.65	5.40	-66.34
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012688422	0	48	0.0	-73.07	364.78	7.43	-65.64
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300012688423	0	51	0.0	-71.82	403.49	8.41	-63.41
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012688424	0	47	0.0	-71.36	373.80	5.49	-65.87
CC(C)CCCC(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688425	0	56	0.0	-69.35	414.34	8.42	-60.93
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012688426	0	54	0.0	-69.98	416.68	8.83	-61.15
CC(C)[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012688427	0	52	0.0	-73.31	388.23	6.03	-67.28
CSCC(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688428	0	45	0.0	-67.88	355.75	6.00	-61.88
CC(C)[NH+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012688429	0	51	0.0	-70.17	393.47	8.42	-61.75
CCC(C)CC(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688430	0	53	0.0	-69.68	389.21	7.54	-62.14
C=CCCCC(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688431	0	51	0.0	-69.94	388.08	7.70	-62.24
CC(C)[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012688432	0	51	0.0	-71.16	393.41	8.42	-62.74
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012688433	0	54	0.0	-75.21	404.65	9.61	-65.60
CC(C)[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012688434	0	46	0.0	-76.30	338.23	8.27	-68.03
CC(C)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012688435	0	51	0.0	-71.57	376.23	8.44	-63.13
CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012688436	0	49	0.0	-80.49	352.59	9.07	-71.42
CC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012688437	0	44	0.0	-65.11	344.82	7.90	-57.21
CC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012688438	0	44	0.0	-65.11	344.82	7.90	-57.21
CC(C)[NH+]1CCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012688439	0	57	0.0	-57.48	418.55	5.88	-51.60
CC(C)[NH+]1CCC(NC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012688440	1	61	0.0	-57.15	442.60	5.59	-51.56
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[NH+](C(C)C)CC1	REAL300012688441	0	52	0.0	-55.97	381.74	10.29	-45.68
CC(C)[NH+]1CCC(NC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012688442	0	55	0.0	-63.27	394.88	10.65	-52.62
CC(C)[NH+]1CCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012688443	0	53	0.0	-70.39	388.34	8.81	-61.58
CC(C)[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012688444	0	48	0.0	-71.90	364.57	7.50	-64.40
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012688445	0	51	0.0	-67.59	403.30	8.51	-59.08
CC(C)[NH+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012688446	0	53	0.0	-71.74	407.73	7.63	-64.11
CC(C)[NH+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012688447	0	47	0.0	-74.51	373.34	5.43	-69.08
CC(C)[NH+]1CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012688448	0	48	0.0	-67.60	392.26	7.18	-60.42
CC(C)[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012688449	0	48	0.0	-83.59	361.62	5.03	-78.56
CC(C)[NH+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012688450	0	49	0.0	-70.16	358.89	6.76	-63.40
CC(C)[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012688451	0	48	0.0	-72.67	364.55	7.50	-65.17
CC(C)[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012688452	0	51	0.0	-73.45	374.25	6.76	-66.69
CC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012688453	0	51	0.0	-55.32	356.83	8.52	-46.80
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012688454	0	49	0.0	-73.85	362.03	3.34	-70.51
CC(C)[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012688455	0	57	0.0	-73.67	411.90	6.64	-67.03
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012688456	0	51	0.0	-72.52	368.35	7.30	-65.22
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012688457	0	54	0.0	-74.14	376.15	7.92	-66.22
COCCC(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688458	0	48	0.0	-69.24	365.71	4.71	-64.53
CC(C)[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012688459	0	54	0.0	-68.79	399.78	10.63	-58.16
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012688460	0	51	0.0	-73.72	369.86	7.99	-65.73
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)CC1	REAL300012688461	0	58	0.0	-73.27	417.13	9.97	-63.30
CC(C)[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012688462	0	57	0.0	-72.81	413.17	6.59	-66.22
CC(C)[NH+]1CCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012688463	0	56	0.0	-61.97	410.71	11.22	-50.75
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012688464	0	49	0.0	-69.27	355.80	4.35	-64.92
CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012688465	0	49	0.0	-79.67	352.74	8.63	-71.04
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012688466	0	52	0.0	-78.99	396.46	7.56	-71.43
CC(C)[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012688467	0	47	0.0	-76.13	345.67	6.32	-69.81
CC(C)[NH+]1CCC(NC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012688468	0	51	0.0	-78.25	363.23	9.37	-68.88
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012688469	0	54	0.0	-71.92	403.78	8.78	-63.14
CC(C)[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012688470	0	55	0.0	-70.77	396.86	9.16	-61.61
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012688471	0	61	0.0	-71.27	425.67	8.43	-62.84
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012688472	0	54	0.0	-73.97	382.36	7.56	-66.41
CC(C)[NH+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012688473	0	55	0.0	-69.19	404.51	7.30	-61.89
CC(C)[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012688474	0	55	0.0	-51.57	374.38	9.09	-42.48
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012688475	0	55	0.0	-72.47	382.33	6.60	-65.87
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012688476	0	54	0.0	-72.48	424.94	9.70	-62.78
CC1=CC=CC2=C1CCN(C(=O)NC1CC[NH+](C(C)C)CC1)C2C(=O)[O-]	REAL300012688477	0	55	0.0	-62.73	401.33	10.55	-52.18
CC(C)[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012688478	0	49	0.0	-53.47	350.11	8.28	-45.19
CC(C)[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012688479	0	55	0.0	-70.77	396.86	9.16	-61.61
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012688480	0	51	0.0	-73.24	393.23	8.50	-64.74
COC1CC(NC(=O)NC2CC[NH+](C(C)C)CC2)(C(=O)[O-])C1	REAL300012688481	0	49	0.0	-75.50	366.78	5.24	-70.26
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012688482	0	45	0.0	-72.94	338.19	6.08	-66.86
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](C(C)C)CC2)(C(=O)[O-])C1	REAL300012688483	0	49	0.0	-72.49	362.06	5.29	-67.20
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012688484	0	48	0.0	-66.12	369.11	6.86	-59.26
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C(C)C)CC1	REAL300012688485	0	51	0.0	-79.78	357.78	9.04	-70.74
CC(C)[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012688486	0	44	0.0	-63.59	347.97	6.36	-57.23
CC(C)[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012688487	0	52	0.0	-73.06	383.48	5.40	-67.66
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012688488	0	48	0.0	-71.24	378.09	7.45	-63.79
COCC(NC(=O)NC1CC[NH+](C(C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012688489	0	55	0.0	-72.24	405.55	7.38	-64.86
CC(C)[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012688490	0	49	0.0	-77.15	354.24	8.06	-69.09
CC(C)[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012688491	0	54	0.0	-75.23	399.30	11.27	-63.96
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300012688492	0	55	0.0	-75.90	426.25	7.95	-67.95
CC(C)[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012688493	0	57	0.0	-72.56	409.01	8.56	-64.00
CC(C)[NH+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012688494	0	54	0.0	-72.72	410.03	9.14	-63.58
CC(C)[NH+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012688495	0	54	0.0	-71.33	409.80	9.20	-62.13
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012688496	0	55	0.0	-73.06	391.34	8.18	-64.88
CC(C)[NH+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012688497	0	57	0.0	-70.93	408.75	8.63	-62.30
CC(C)[NH+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012688498	0	57	0.0	-72.16	408.73	8.61	-63.55
CC(C)[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012688499	0	55	0.0	-53.55	389.16	9.23	-44.32
CC(C)[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012688500	0	55	0.0	-77.90	389.83	9.19	-68.71
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300012688501	0	55	0.0	-76.81	429.12	7.96	-68.85
COC1=CC=C(CC(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300012688502	0	55	0.0	-73.29	416.55	7.67	-65.62
C=CCSCC(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688503	0	49	0.0	-66.65	390.01	7.45	-59.20
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012688504	0	52	0.0	-71.33	407.86	8.77	-62.56
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300012688505	0	55	0.0	-77.52	418.89	8.63	-68.89
COC1(C(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])CCC1	REAL300012688506	0	52	0.0	-68.86	376.23	5.01	-63.85
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012688507	0	54	0.0	-72.69	389.75	8.35	-64.34
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012688508	0	55	0.0	-72.63	399.71	9.71	-62.92
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012688509	0	48	0.0	-76.65	361.77	6.89	-69.76
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300012688511	0	60	0.0	-71.46	440.77	9.82	-61.64
CC(C)C1=CC=C(C(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300012688512	0	57	0.0	-71.89	425.01	9.35	-62.54
CC(C)[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012688513	0	45	0.0	-74.36	338.45	7.19	-67.17
CC(C)[NH+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012688514	0	47	0.0	-53.60	347.13	8.31	-45.29
CC(C)[NH+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012688515	0	51	0.0	-76.70	367.20	8.14	-68.56
CCOC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300012688516	0	55	0.0	-71.44	415.89	7.72	-63.72
CC(C)[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012688517	0	55	0.0	-78.61	384.01	9.92	-68.69
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012688518	0	55	0.0	-72.26	406.30	9.87	-62.39
CC(C)[NH+]1CCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012688519	0	55	0.0	-77.22	407.22	8.46	-68.76
CC(C)[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012688520	0	51	0.0	-75.03	400.17	8.36	-66.67
CC(C)CCC(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688521	0	53	0.0	-69.04	392.60	7.71	-61.33
CC(C)[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012688522	0	52	0.0	-53.80	378.87	8.95	-44.85
CC(C)[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012688523	0	52	0.0	-73.06	383.48	5.40	-67.66
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)C)CC2)C1	REAL300012688524	0	49	0.0	-74.41	370.65	8.43	-65.98
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012688525	0	52	0.0	-71.81	370.35	8.17	-63.64
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012688526	0	49	0.0	-75.22	354.76	7.52	-67.70
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012688527	0	52	0.0	-74.65	372.38	7.67	-66.98
CC(C)[NH+]1CCC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012688528	0	54	0.0	-70.56	397.65	10.43	-60.13
CC(C)[NH+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012688529	0	58	0.0	-53.64	403.36	9.70	-43.94
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012688530	0	51	0.0	-72.24	372.06	7.07	-65.17
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688531	0	48	0.0	-73.22	358.63	4.59	-68.63
CC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012688532	0	51	0.0	-58.37	389.21	10.41	-47.96
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300012688533	0	58	0.0	-72.55	438.98	10.82	-61.73
CC(C)[NH+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012688534	0	51	0.0	-53.37	370.87	8.29	-45.08
CC(C)[NH+]1CCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012688535	0	52	0.0	-58.15	395.32	10.11	-48.04
CC(C)[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012688536	0	48	0.0	-76.08	349.50	8.35	-67.73
CC(C)[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012688537	0	45	0.0	-79.91	343.75	7.23	-72.68
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012688538	0	51	0.0	-73.24	393.23	8.50	-64.74
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012688539	0	48	0.0	-72.36	377.88	7.28	-65.08
CC(C)[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012688540	0	48	0.0	-69.41	356.57	7.92	-61.49
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012688541	0	52	0.0	-74.48	391.80	8.08	-66.40
CC(C)[NH+]1CCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300012688542	0	56	0.0	-75.61	420.15	9.68	-65.93
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012688543	0	48	0.0	-72.36	377.88	7.28	-65.08
CC(C)[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012688544	0	52	0.0	-80.09	366.28	8.42	-71.67
COCCCC(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688545	0	51	0.0	-69.83	387.45	5.43	-64.40
CCOCC(NC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012688546	0	48	0.0	-71.03	365.85	4.85	-66.18
CC(C)[NH+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012688547	0	53	0.0	-69.98	383.12	7.99	-61.99
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012688548	0	52	0.0	-73.25	379.38	5.90	-67.35
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300012688549	0	48	0.0	-70.37	385.86	8.12	-62.25
CC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012688550	0	52	0.0	-72.49	387.78	8.96	-63.53
CC(C)[NH+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012688551	0	49	0.0	-75.08	353.08	6.80	-68.28
CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012688552	0	51	0.0	-70.32	369.83	8.27	-62.05
CC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300012688553	0	62	0.0	-74.47	424.17	9.76	-64.71
CC(C)[NH+]1CCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012688554	0	54	0.0	-74.90	416.72	8.67	-66.23
CC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012688555	0	48	0.0	-60.05	367.22	8.31	-51.74
CC(C)[NH+]1CCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012688556	0	59	0.0	-77.52	400.96	8.77	-68.75
CC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012688557	0	50	0.0	-67.86	398.80	6.98	-60.88
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)C)CC2)C1	REAL300012688558	0	52	0.0	-76.23	386.14	7.45	-68.78
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012688559	0	42	0.0	-69.82	346.56	6.67	-63.15
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012688560	0	42	0.0	-69.63	356.45	7.12	-62.51
CC1=CC(C(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])=CC=C1F	REAL300012688561	0	45	0.0	-72.07	360.61	7.25	-64.82
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012688562	0	47	0.0	-74.88	369.80	6.39	-68.49
CC1=CC(C)=CC(C(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012688563	0	48	0.0	-75.18	376.72	7.87	-67.31
CC1=CC=C(C(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])C=C1C	REAL300012688564	0	48	0.0	-76.22	372.29	7.75	-68.47
COC1=CC=C(C(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])C=C1Cl	REAL300012688565	0	46	0.0	-75.00	379.64	6.31	-68.69
CC1=CC=CC(C(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])=C1C	REAL300012688566	0	48	0.0	-75.89	364.10	7.48	-68.41
COC1=CC=C(C(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])C=C1F	REAL300012688567	0	46	0.0	-75.68	369.84	5.84	-69.84
C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012688568	0	48	0.0	-59.69	393.63	10.22	-49.47
C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC1	REAL300012688569	0	45	0.0	-59.03	376.13	9.83	-49.20
CCCN(C(=O)NC1CC[NH+](C)CC1)C(COC)C(=O)[O-]	REAL300012688570	0	48	0.0	-75.74	359.23	7.90	-67.84
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012688571	0	42	0.0	-71.58	350.23	7.02	-64.56
C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012688572	0	45	0.0	-74.41	356.16	7.47	-66.94
C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012688573	0	45	0.0	-62.38	354.89	9.22	-53.16
C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012688574	0	45	0.0	-74.41	356.16	7.47	-66.94
C[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012688575	0	46	0.0	-82.11	345.60	9.46	-72.65
C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012688576	0	45	0.0	-59.98	371.62	9.74	-50.24
C[NH+]1CCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012688577	0	49	0.0	-77.11	385.44	7.49	-69.62
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NC2CC[NH+](C)CC2)=C1	REAL300012688578	0	53	0.0	-63.03	413.84	7.83	-55.20
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300012688579	0	42	0.0	-71.49	354.79	7.13	-64.36
C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012688580	0	45	0.0	-60.09	361.30	9.29	-50.80
C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012688581	0	46	0.0	-76.42	353.46	7.77	-68.65
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012688582	0	42	0.0	-74.66	344.97	6.63	-68.03
C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012688583	0	45	0.0	-75.64	341.92	7.25	-68.39
CCCCCCC(C)(NC(=O)NC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012688584	0	53	0.0	-72.66	388.10	7.86	-64.80
CN(C(=O)NC1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012688585	0	48	0.0	-72.47	364.97	9.34	-63.13
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012688586	0	42	0.0	-71.58	350.23	7.02	-64.56
C[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012688587	0	48	0.0	-63.25	377.31	10.00	-53.25
CN(C(=O)NC1CC[NH+](C)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012688588	0	45	0.0	-78.96	342.71	8.45	-70.51
C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012688589	0	46	0.0	-78.17	349.03	7.56	-70.61
C[NH+]1CCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012688590	0	49	0.0	-80.77	390.05	7.41	-73.36
C[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012688591	0	48	0.0	-63.25	377.31	10.00	-53.25
CCC1CCC(NC(=O)NC2CC[NH+](C)CC2)(C(=O)[O-])CC1	REAL300012688592	0	51	0.0	-75.89	366.54	7.85	-68.04
C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012688593	0	45	0.0	-72.26	373.84	8.23	-64.03
CC(C1=CC=CC(Br)=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](C)CC1	REAL300012688594	0	48	0.0	-59.83	388.05	10.71	-49.12
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012688595	0	42	0.0	-75.39	345.67	6.97	-68.42
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012688596	0	42	0.0	-79.85	338.57	6.55	-73.30
C[NH+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012688597	0	46	0.0	-63.26	348.98	8.91	-54.35
C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012688598	0	45	0.0	-78.40	370.28	7.69	-70.71
C[NH+]1CCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012688599	0	51	0.0	-78.20	400.07	9.47	-68.73
C[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012688600	0	51	0.0	-73.40	378.09	7.67	-65.73
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](C)CC1	REAL300012688601	0	48	0.0	-60.77	367.07	9.84	-50.93
CC1=CC=C(C(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012688602	0	45	0.0	-74.80	355.53	7.15	-67.65
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012688603	0	48	0.0	-77.14	380.11	8.73	-68.41
C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012688604	0	43	0.0	-73.80	325.16	6.28	-67.52
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](C)CC1	REAL300012688605	0	51	0.0	-60.15	382.96	10.56	-49.59
C[NH+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012688606	0	41	0.0	-62.05	335.52	7.36	-54.69
C[NH+]1CCC(NC(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300012688607	0	45	0.0	-70.89	389.00	8.45	-62.44
CN(C(=O)NC1CC[NH+](C)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012688608	0	49	0.0	-72.61	367.50	7.11	-65.50
C[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012688609	0	49	0.0	-81.62	372.00	10.57	-71.05
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C)CC1	REAL300012688610	0	48	0.0	-52.89	364.95	10.21	-42.68
COC1=CC=C(C(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012688611	0	46	0.0	-75.31	363.59	5.76	-69.55
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C)CC1	REAL300012688612	0	48	0.0	-72.59	360.00	6.66	-65.93
C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012688613	0	45	0.0	-78.54	343.98	2.60	-75.94
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C)CC1	REAL300012688614	0	48	0.0	-79.18	364.99	10.09	-69.09
CCC(NC(=O)NC1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012688615	0	48	0.0	-73.19	375.56	8.63	-64.56
CCC(NC(=O)NC1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012688616	0	48	0.0	-75.16	358.90	8.14	-67.02
COC1CCCC(C(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])C1	REAL300012688617	0	52	0.0	-78.91	384.15	5.60	-73.31
COC1(CC(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])CCC1	REAL300012688618	0	49	0.0	-72.47	368.07	5.56	-66.91
COC1=CC=CC(C(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012688619	0	46	0.0	-77.55	363.38	5.84	-71.71
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300012688620	0	42	0.0	-74.56	349.04	7.05	-67.51
C[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012688621	0	43	0.0	-65.15	331.85	7.09	-58.06
COC1=CC=CC([C@H](NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012688622	0	46	0.0	-77.89	363.63	5.75	-72.14
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](C)CC2)C1	REAL300012688623	0	48	0.0	-80.94	363.03	8.21	-72.73
COC1=CC=CC(CC(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012688624	0	49	0.0	-75.18	385.84	6.71	-68.47
C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012688625	0	51	0.0	-76.97	355.40	7.48	-69.49
C[NH+]1CCC(NC(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])CC1	REAL300012688626	0	42	0.0	-72.54	360.42	7.18	-65.36
C[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300012688627	0	48	0.0	-71.50	376.25	8.12	-63.38
C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012688628	0	47	0.0	-71.52	370.14	7.92	-63.60
C[NH+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012688629	0	49	0.0	-73.37	365.13	5.90	-67.47
CN(C(=O)NC1CC[NH+](C)CC1)C(C(=O)[O-])C1=CC=C(Br)S1	REAL300012688630	0	42	0.0	-68.36	355.11	8.04	-60.32
C[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012688631	0	48	0.0	-72.11	365.93	7.66	-64.45
C[NH+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012688632	0	49	0.0	-73.36	365.20	5.88	-67.48
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300012688633	0	45	0.0	-73.21	372.60	7.54	-65.67
C[NH+]1CCC(NC(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300012688634	0	49	0.0	-70.88	402.15	7.27	-63.61
C[NH+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012688635	0	41	0.0	-73.80	343.13	4.55	-69.25
C[NH+]1CCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012688636	0	48	0.0	-73.08	386.26	7.82	-65.26
C[NH+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012688637	0	45	0.0	-72.72	362.80	7.47	-65.25
C[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012688638	0	45	0.0	-73.05	361.92	7.50	-65.55
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012688639	0	48	0.0	-79.47	374.85	8.62	-70.85
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC1	REAL300012688640	0	46	0.0	-77.15	377.68	6.46	-70.69
C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012688641	0	45	0.0	-75.64	341.92	7.25	-68.39
C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300012688642	0	45	0.0	-72.27	363.21	7.87	-64.40
C[NH+]1CCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012688643	0	51	0.0	-60.98	383.07	4.54	-56.44
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC[NH+](C)CC2)CC1	REAL300012688644	1	55	0.0	-60.72	408.29	4.40	-56.32
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[NH+](C)CC1	REAL300012688645	0	46	0.0	-59.51	351.07	9.33	-50.18
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC[NH+](C)CC2)[C@H]1C(=O)[O-]	REAL300012688646	0	49	0.0	-65.32	361.15	9.44	-55.88
C[NH+]1CCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012688647	0	47	0.0	-74.19	354.02	7.63	-66.56
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012688648	0	45	0.0	-70.06	372.63	7.55	-62.51
C[NH+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012688649	0	47	0.0	-75.58	373.42	6.44	-69.14
C[NH+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012688650	0	41	0.0	-75.69	342.68	4.47	-71.22
C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300012688651	0	45	0.0	-77.97	373.82	7.75	-70.22
C[NH+]1CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012688652	0	42	0.0	-70.22	361.60	6.23	-63.99
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)CC1	REAL300012688653	0	39	0.0	-71.89	346.42	6.14	-65.75
C[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012688654	0	42	0.0	-87.65	327.31	3.84	-83.81
C[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012688655	0	45	0.0	-75.79	343.58	5.81	-69.98
C[NH+]1CCC(NC(=O)NC(CC2=CC=CC(OC3=CC=CC=C3)=C2)C(=O)[O-])CC1	REAL300012688656	0	56	0.0	-78.54	445.08	10.24	-68.30
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012688657	0	51	0.0	-77.09	381.41	5.65	-71.44
CN(C(=O)NC1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012688658	0	48	0.0	-72.47	364.97	9.34	-63.13
CC1CCC(NC(=O)NC2CC[NH+](C)CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012688659	0	52	0.0	-77.07	382.77	8.79	-68.28
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012688660	0	51	0.0	-75.28	382.51	5.63	-69.65
C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)CC1	REAL300012688661	0	56	0.0	-81.98	433.66	8.69	-73.29
C[NH+]1CCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012688662	0	50	0.0	-64.35	376.27	10.05	-54.30
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012688663	0	46	0.0	-81.48	365.80	6.61	-74.87
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012688664	0	48	0.0	-73.93	370.38	7.73	-66.20
C[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012688665	0	49	0.0	-73.11	366.20	8.21	-64.90
C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012688666	0	55	0.0	-74.95	391.35	7.24	-67.71
C[NH+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012688667	0	49	0.0	-73.02	370.20	6.12	-66.90
C[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012688668	0	49	0.0	-58.80	358.40	8.53	-50.27
C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012688669	0	49	0.0	-76.14	348.01	5.40	-70.74
C[NH+]1CCC(NC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012688670	0	48	0.0	-75.41	394.58	8.68	-66.73
CC1=CC=CC2=C1CCN(C(=O)NC1CC[NH+](C)CC1)C2C(=O)[O-]	REAL300012688671	0	49	0.0	-66.63	367.00	9.35	-57.28
C[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012688672	0	49	0.0	-73.11	366.20	8.21	-64.90
C[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012688673	0	45	0.0	-76.02	362.81	7.48	-68.54
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012688674	0	42	0.0	-75.75	338.09	6.16	-69.59
C[NH+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012688675	0	42	0.0	-74.84	347.43	6.50	-68.34
COCC(NC(=O)NC1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012688676	0	49	0.0	-73.88	375.10	6.46	-67.42
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C)CC1	REAL300012688677	0	48	0.0	-79.18	364.99	10.09	-69.09
C[NH+]1CCC(NC(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300012688678	0	45	0.0	-72.26	377.70	8.04	-64.22
C[NH+]1CCC(NC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300012688679	0	49	0.0	-78.04	395.35	7.05	-70.99
C[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012688680	0	51	0.0	-73.40	378.09	7.67	-65.73
C[NH+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012688681	0	48	0.0	-75.39	379.37	8.18	-67.21
C[NH+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012688682	0	48	0.0	-74.19	379.37	8.18	-66.01
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012688683	0	49	0.0	-75.47	360.67	7.24	-68.23
C[NH+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012688684	0	51	0.0	-73.82	378.31	7.61	-66.21
C[NH+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012688685	0	51	0.0	-74.80	378.06	7.66	-67.14
C[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012688686	0	49	0.0	-56.78	358.50	8.27	-48.51
C[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012688687	0	49	0.0	-81.83	355.51	8.00	-73.83
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300012688688	0	49	0.0	-79.00	397.86	7.05	-71.95
COC1=CC=C(CC(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012688689	0	49	0.0	-75.18	385.65	6.77	-68.41
C=CCSCC(NC(=O)NC1CC[NH+](C)CC1)C(=O)[O-]	REAL300012688690	0	43	0.0	-71.86	355.71	6.26	-65.60
C[NH+]1CCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012688691	0	46	0.0	-73.16	376.98	7.87	-65.29
C[NH+]1CCC(NC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300012688692	0	49	0.0	-87.11	395.79	7.46	-79.65
COC1=CC=C2NC=C(CC(NC(=O)NC3CC[NH+](C)CC3)C(=O)[O-])C2=C1	REAL300012688693	0	53	0.0	-86.49	419.83	6.64	-79.85
C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012688694	0	48	0.0	-73.65	359.10	7.40	-66.25
C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012688695	0	49	0.0	-77.71	365.44	8.53	-69.18
C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012688696	0	42	0.0	-79.39	330.95	5.93	-73.46
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300012688697	0	54	0.0	-74.38	410.35	8.80	-65.58
CC(C)C1=CC=C(C(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012688698	0	51	0.0	-74.74	393.72	8.43	-66.31
CCOC1=CC=C(C(NC(=O)NC2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012688699	0	49	0.0	-74.28	385.47	6.69	-67.59
C[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012688700	0	49	0.0	-80.80	353.34	8.97	-71.83
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012688701	0	49	0.0	-74.63	375.63	8.92	-65.71
C[NH+]1CCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012688702	0	49	0.0	-78.48	376.55	7.51	-70.97
C[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012688703	0	45	0.0	-78.07	370.35	7.39	-70.68
C[NH+]1CCC(NC(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC1	REAL300012688704	0	45	0.0	-74.55	377.45	8.09	-66.46
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C)CC2)C1	REAL300012688705	0	43	0.0	-76.87	340.00	7.47	-69.40
CN(C(=O)NC1CC[NH+](C)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012688706	0	48	0.0	-73.36	366.99	9.38	-63.98
C[NH+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012688707	0	52	0.0	-56.84	372.75	8.75	-48.09
C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012688708	0	45	0.0	-62.38	354.89	9.22	-53.16
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300012688709	0	52	0.0	-75.98	408.29	9.87	-66.11
C[NH+]1CCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012688710	0	46	0.0	-60.30	361.29	8.89	-51.41
C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012688711	0	48	0.0	-70.64	380.67	8.25	-62.39
C[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012688712	0	42	0.0	-79.22	319.12	7.44	-71.78
C[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012688713	0	45	0.0	-76.02	362.81	7.48	-68.54
C[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012688714	0	42	0.0	-74.91	347.21	6.33	-68.58
C[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012688715	0	42	0.0	-72.97	325.91	6.96	-66.01
C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012688716	0	46	0.0	-76.86	361.17	7.12	-69.74
C[NH+]1CCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300012688717	0	50	0.0	-79.70	385.88	8.48	-71.22
C[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012688718	0	42	0.0	-74.91	347.21	6.33	-68.58
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300012688719	0	42	0.0	-73.14	355.44	7.09	-66.05
C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012688720	0	46	0.0	-76.42	353.46	7.77	-68.65
C[NH+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012688721	0	45	0.0	-74.72	339.13	7.25	-67.47
C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300012688722	0	56	0.0	-78.49	389.85	8.57	-69.92
C[NH+]1CCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012688723	0	48	0.0	-77.04	381.69	7.76	-69.28
C[NH+]1CCC(NC(=O)N2CCC3=CC(Br)=CC=C3C2C(=O)[O-])CC1	REAL300012688724	0	46	0.0	-61.65	370.41	9.51	-52.14
C[NH+]1CCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012688725	0	53	0.0	-79.82	370.30	7.83	-71.99
C[NH+]1CCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012688726	0	44	0.0	-70.40	368.13	6.03	-64.37
CC(C)C1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012688905	0	62	0.0	-59.19	467.69	9.88	-49.31
COC1=CC=CC=C1C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]1CCCC1	REAL300012689038	0	58	0.0	-62.70	433.74	9.29	-53.41
C=CCOCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689039	0	57	0.0	-70.15	441.70	7.75	-62.40
C=CC(C)C(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689040	0	56	0.0	-60.07	423.91	9.05	-51.02
COC1=CC=CC=C1C(CNC(=O)N1CCC(C)CC1C(=O)[O-])[NH+]1CCCC1	REAL300012689041	0	59	0.0	-75.82	420.03	11.16	-64.66
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1	REAL300012689042	0	55	0.0	-41.92	412.68	10.47	-31.45
COC1=CC=CC=C1C(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[NH+]1CCCC1	REAL300012689043	0	59	0.0	-45.77	427.22	10.89	-34.88
CCCN(C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(CC)C(=O)[O-]	REAL300012689044	0	61	0.0	-65.38	436.53	11.18	-54.20
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]1CCCC1	REAL300012689045	0	55	0.0	-60.73	409.26	8.49	-52.24
COC1=CC=CC=C1C(CNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCCC1	REAL300012689046	0	56	0.0	-76.91	403.89	11.08	-65.83
COC1=CC=CC=C1C(CNC(=O)N1CCSCC1C(=O)[O-])[NH+]1CCCC1	REAL300012689047	0	54	0.0	-73.90	403.92	10.82	-63.08
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCCC1	REAL300012689048	0	59	0.0	-68.33	417.01	8.92	-59.41
COC1=CC=CC=C1C(CNC(=O)N1CCCC1C(=O)[O-])[NH+]1CCCC1	REAL300012689049	0	53	0.0	-68.92	393.83	9.86	-59.06
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCCC1	REAL300012689050	0	56	0.0	-66.60	409.50	9.03	-57.57
COC1=CC=CC=C1C(CNC(=O)NCC(=O)[O-])[NH+]1CCCC1	REAL300012689051	0	46	0.0	-55.10	352.46	6.10	-49.00
COC1=CC=CC=C1C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCC1	REAL300012689052	0	56	0.0	-64.83	423.32	8.87	-55.96
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCC1	REAL300012689053	0	56	0.0	-63.01	430.59	10.04	-52.97
CCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689054	0	52	0.0	-67.79	394.84	8.02	-59.77
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]1CCCC1	REAL300012689055	0	55	0.0	-60.73	409.26	8.49	-52.24
COC1=CC=CC=C1C(CNC(=O)N(C)CC(=O)[O-])[NH+]1CCCC1	REAL300012689056	0	49	0.0	-67.46	371.21	8.77	-58.69
COC1=CC=CC=C1C(CNC(=O)NC(C)C(=O)[O-])[NH+]1CCCC1	REAL300012689057	0	49	0.0	-57.27	373.57	6.90	-50.37
CCC(C)C(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689058	0	58	0.0	-61.81	424.66	8.89	-52.92
COC1=CC=CC=C1C(CNC(=O)N(C)CC(=O)[O-])[NH+]1CCCC1	REAL300012689059	0	49	0.0	-67.46	371.21	8.77	-58.69
COC1=CC=CC=C1C(CNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCCC1	REAL300012689060	0	56	0.0	-76.91	403.89	11.08	-65.83
CCCC(C)(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689061	0	58	0.0	-62.32	420.72	9.07	-53.25
COC1=CC=CC=C1C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]1CCCC1	REAL300012689062	0	55	0.0	-42.67	400.83	9.97	-32.70
COC1=CC=CC=C1C(CNC(=O)N(CC(=O)[O-])C1CC1)[NH+]1CCCC1	REAL300012689063	0	53	0.0	-43.07	393.96	10.22	-32.85
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1	REAL300012689064	0	53	0.0	-41.83	403.99	10.27	-31.56
COC1=CC=CC=C1C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]1CCCC1	REAL300012689065	0	58	0.0	-41.30	427.09	10.77	-30.53
COC1=CC=CC=C1C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+]1CCCC1	REAL300012689066	0	52	0.0	-54.26	385.83	7.33	-46.93
COC1=CC=CC=C1C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[NH+]1CCCC1	REAL300012689067	0	56	0.0	-70.03	408.70	9.08	-60.95
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCCC1	REAL300012689068	0	59	0.0	-68.33	417.01	8.92	-59.41
COC1=CC=CC=C1C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]1CCCC1	REAL300012689069	0	55	0.0	-42.67	400.83	9.97	-32.70
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1	REAL300012689070	0	55	0.0	-41.92	412.68	10.47	-31.45
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1	REAL300012689071	0	52	0.0	-66.98	389.09	9.60	-57.38
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689072	0	58	0.0	-63.39	426.31	8.91	-54.48
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCCC1	REAL300012689073	0	56	0.0	-66.60	409.50	9.03	-57.57
CCC(C)(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689074	0	55	0.0	-62.03	399.22	8.32	-53.71
COC1=CC=CC=C1C(CNC(=O)N[C@@H](C)C(=O)[O-])[NH+]1CCCC1	REAL300012689075	0	49	0.0	-57.22	365.55	5.70	-51.52
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1	REAL300012689076	0	52	0.0	-66.98	389.09	9.60	-57.38
COC1=CC=CC=C1C(CNC(=O)N[C@H](C)C(=O)[O-])[NH+]1CCCC1	REAL300012689077	0	49	0.0	-55.53	365.55	5.70	-49.83
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CC1)[NH+]1CCCC1	REAL300012689078	0	50	0.0	-69.51	379.40	8.14	-61.37
COC1=CC=CC=C1C(CNC(=O)N1CCOCC1C(=O)[O-])[NH+]1CCCC1	REAL300012689079	0	54	0.0	-74.39	395.14	8.46	-65.93
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C1CC1)[NH+]1CCCC1	REAL300012689080	0	53	0.0	-67.62	394.30	7.20	-60.42
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1	REAL300012689081	0	56	0.0	-42.70	422.56	8.90	-33.80
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689082	0	53	0.0	-68.45	395.33	9.50	-58.95
COC1=CC=CC=C1C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689083	0	56	0.0	-75.40	405.90	10.80	-64.60
COC1=CC=CC=C1C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]1CCCC1	REAL300012689084	0	52	0.0	-64.05	383.68	8.90	-55.15
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689085	0	53	0.0	-74.93	395.17	9.53	-65.40
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CCC1)[NH+]1CCCC1	REAL300012689086	0	53	0.0	-69.84	388.62	7.43	-62.41
C=CCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689087	0	53	0.0	-67.67	408.12	8.47	-59.20
COC1=CC=CC=C1C(CNC(=O)N1CCCC1(C)C(=O)[O-])[NH+]1CCCC1	REAL300012689088	0	56	0.0	-68.52	410.90	10.40	-58.12
COC1=CC=CC=C1C(CNC(=O)N1CCCCCC1C(=O)[O-])[NH+]1CCCC1	REAL300012689089	0	59	0.0	-66.35	421.23	11.10	-55.25
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C1CC1)[NH+]1CCCC1	REAL300012689090	0	53	0.0	-67.62	394.30	7.20	-60.42
COC1=CC=CC=C1C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]1CCCC1	REAL300012689091	0	52	0.0	-63.49	386.11	9.01	-54.48
CCCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689092	0	58	0.0	-68.25	438.08	9.50	-58.75
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[NH+]1CCCC1	REAL300012689093	0	56	0.0	-75.40	412.32	10.07	-65.33
COC1=CC=CC=C1C(CNC(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCCC1	REAL300012689094	0	59	0.0	-52.65	428.01	11.28	-41.37
COCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689095	0	53	0.0	-69.26	406.94	6.20	-63.06
CCCCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689096	0	61	0.0	-67.88	459.33	10.34	-57.54
COC1=CC=CC=C1C(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)[NH+]1CCCC1	REAL300012689097	0	59	0.0	-68.37	420.85	10.76	-57.61
COC1=CC=CC=C1C(CNC(=O)N(C(C)C(=O)[O-])C1CC1)[NH+]1CCCC1	REAL300012689098	0	56	0.0	-48.85	409.51	10.18	-38.67
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C1CC1	REAL300012689099	0	59	0.0	-55.53	430.86	11.41	-44.12
COCC(C)(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689100	0	56	0.0	-66.68	417.46	7.60	-59.08
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1	REAL300012689101	0	59	0.0	-64.86	437.47	9.25	-55.61
COC1=CC=CC=C1C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]1CCCC1	REAL300012689102	0	58	0.0	-41.30	427.09	10.77	-30.53
COC1=CC=CC=C1C(CNC(=O)N(CC(=O)[O-])C1CC1)[NH+]1CCCC1	REAL300012689103	0	53	0.0	-43.07	393.96	10.22	-32.85
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CCOC1)[NH+]1CCCC1	REAL300012689104	0	54	0.0	-62.48	400.97	6.52	-55.96
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CCOCC1)[NH+]1CCCC1	REAL300012689105	0	57	0.0	-65.83	416.01	7.67	-58.16
C=CCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689106	0	56	0.0	-67.85	429.15	9.34	-58.51
COC1=CC=CC=C1C(CNC(=O)NC(CF)C(=O)[O-])[NH+]1CCCC1	REAL300012689107	0	49	0.0	-53.99	376.87	6.94	-47.05
COC1=CC=CC=C1C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]1CCCC1	REAL300012689108	0	52	0.0	-63.49	386.11	9.01	-54.48
CCC(CC)(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689109	0	58	0.0	-69.67	415.60	9.22	-60.45
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1	REAL300012689110	0	58	0.0	-41.50	424.32	11.31	-30.19
CCC(COC)(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689111	0	59	0.0	-74.41	433.90	8.53	-65.88
COC1=CC=CC=C1C(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCCC1	REAL300012689112	0	56	0.0	-61.37	425.85	9.52	-51.85
COCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689113	0	56	0.0	-68.69	428.75	7.01	-61.68
COC1=CC=CC=C1C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])[NH+]1CCCC1	REAL300012689114	0	61	0.0	-64.62	443.91	11.32	-53.30
COC1=CC=CC=C1C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+]1CCCC1	REAL300012689115	0	52	0.0	-68.37	407.43	8.24	-60.13
CCCN(C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012689116	0	58	0.0	-44.38	414.74	10.28	-34.10
COC1=CC=CC=C1C(CNC(=O)NC(CCF)C(=O)[O-])[NH+]1CCCC1	REAL300012689117	0	52	0.0	-67.57	401.67	8.09	-59.48
COC1=CC=CC=C1C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+]1CCCC1	REAL300012689118	0	55	0.0	-59.42	405.81	8.46	-50.96
COC1=CC=CC=C1C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689119	0	53	0.0	-67.71	408.66	9.38	-58.33
COC1=CC=CC=C1C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]1CCCC1	REAL300012689120	0	52	0.0	-64.56	377.47	7.78	-56.78
COC1=CC=CC=C1C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[NH+]1CCCC1	REAL300012689121	0	54	0.0	-78.58	388.31	9.49	-69.09
COC1=CC=CC=C1C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]1CCCC1	REAL300012689122	0	58	0.0	-62.69	425.19	9.15	-53.54
C=C(Cl)CC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689123	0	53	0.0	-63.40	423.55	9.07	-54.33
C=C(C)CC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689124	0	56	0.0	-69.05	427.98	9.32	-59.73
COC1=CC=CC=C1C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[NH+]1CCCC1	REAL300012689125	0	57	0.0	-81.95	415.89	11.29	-70.66
COC1=CC=CC=C1C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689126	0	53	0.0	-67.57	408.24	9.68	-57.89
COC1=CC=CC=C1C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689127	0	53	0.0	-73.56	402.44	9.30	-64.26
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2OC)[NH+]2CCCC2)C1	REAL300012689128	0	54	0.0	-69.14	408.05	9.92	-59.22
COC1=CC=CC=C1C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]1CCCC1	REAL300012689129	0	58	0.0	-62.70	433.74	9.29	-53.41
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCC1	REAL300012689130	0	56	0.0	-63.01	430.59	10.04	-52.97
COC1=CC=CC=C1C(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCCC1	REAL300012689131	0	56	0.0	-61.37	425.85	9.52	-51.85
COC1=CC=CC=C1C(CNC(=O)NC(CSC)C(=O)[O-])[NH+]1CCCC1	REAL300012689132	0	53	0.0	-64.64	418.78	8.29	-56.35
COC[C@H](NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689133	0	53	0.0	-69.21	398.75	4.94	-64.27
CC[C@H](NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689134	0	52	0.0	-68.72	387.38	6.72	-62.00
CCC(C)CC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689135	0	61	0.0	-68.85	451.44	9.95	-58.90
C=CCCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689136	0	59	0.0	-68.55	450.89	10.06	-58.49
COC1=CC=CC=C1C(CNC(=O)N1CCSCC1C(=O)[O-])[NH+]1CCCC1	REAL300012689137	0	54	0.0	-73.90	403.92	10.82	-63.08
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689138	0	53	0.0	-68.45	395.33	9.50	-58.95
CCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689139	0	55	0.0	-67.87	416.34	8.78	-59.09
COC1=CC=CC=C1C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+]1CCCC1	REAL300012689140	0	55	0.0	-64.53	399.49	7.05	-57.48
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[NH+]1CCCC1	REAL300012689141	0	57	0.0	-80.47	416.37	11.10	-69.37
CCN(C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012689142	0	58	0.0	-71.67	414.77	10.47	-61.20
CCCN(C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012689143	0	58	0.0	-44.38	414.74	10.28	-34.10
COC1=CC=CC=C1C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+]1CCCC1	REAL300012689144	0	55	0.0	-71.73	400.39	9.81	-61.92
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689145	0	53	0.0	-74.93	395.17	9.53	-65.40
COC1=CC=CC=C1C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689146	0	54	0.0	-73.39	398.31	4.92	-68.47
CCC[C@@H](NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689147	0	55	0.0	-64.10	408.88	7.48	-56.62
COC1=CC=CC=C1C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCC1	REAL300012689148	0	56	0.0	-64.83	423.32	8.87	-55.96
C=CCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689149	0	56	0.0	-67.85	429.15	9.34	-58.51
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[NH+]1CCCC1	REAL300012689150	0	56	0.0	-70.64	403.19	9.18	-61.46
COC1=CC=CC=C1C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+]1CCCC1	REAL300012689151	0	55	0.0	-67.77	398.51	7.02	-60.75
COC1=CC=CC=C1C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCC1	REAL300012689152	0	56	0.0	-68.28	422.91	8.82	-59.46
COC1=CC=CC=C1C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]1CCCC1	REAL300012689153	0	52	0.0	-64.56	377.47	7.78	-56.78
CCC[C@H](NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689154	0	55	0.0	-68.11	408.05	7.49	-60.62
CCN(C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012689155	0	55	0.0	-64.01	398.44	9.63	-54.38
COC1=CC=CC=C1C(CNC(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCCC1	REAL300012689156	0	59	0.0	-52.65	428.01	11.28	-41.37
COC1=CC=CC=C1C(CNC(=O)N(C)CC(C)C(=O)[O-])[NH+]1CCCC1	REAL300012689157	0	55	0.0	-68.61	405.43	9.41	-59.20
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689158	0	58	0.0	-63.39	426.31	8.91	-54.48
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1	REAL300012689159	0	55	0.0	-65.95	397.81	8.71	-57.24
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[NH+]1CCCC1	REAL300012689160	0	57	0.0	-72.53	428.47	5.94	-66.59
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[NH+]1CCCC1	REAL300012689161	0	59	0.0	-68.60	423.56	8.45	-60.15
COCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689162	0	56	0.0	-68.69	428.75	7.01	-61.68
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[NH+]1CCCC1	REAL300012689163	0	59	0.0	-68.67	432.41	10.36	-58.31
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[NH+]1CCCC1	REAL300012689164	0	56	0.0	-62.70	423.74	9.07	-53.63
COC1=CC=CC=C1C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689165	0	54	0.0	-73.58	405.23	6.28	-67.30
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C1CCOC1)[NH+]1CCCC1	REAL300012689166	0	57	0.0	-59.50	425.17	6.97	-52.53
COC1=CC=CC=C1C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[NH+]1CCCC1	REAL300012689167	0	57	0.0	-80.54	408.34	9.75	-70.79
COC1=CC=CC=C1C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[NH+]1CCCC1	REAL300012689168	0	55	0.0	-74.05	409.56	8.81	-65.24
COC1=CC=CC=C1C(CNC(=O)N1CC(C)CCC1C(=O)[O-])[NH+]1CCCC1	REAL300012689169	0	59	0.0	-76.40	424.61	11.69	-64.71
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH+]1CCCC1	REAL300012689170	0	56	0.0	-68.14	415.82	8.61	-59.53
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH+]1CCCC1	REAL300012689171	0	56	0.0	-68.14	415.82	8.61	-59.53
COC1=CC=CC=C1C(CNC(=O)N1CCC(C)C1C(=O)[O-])[NH+]1CCCC1	REAL300012689172	0	56	0.0	-70.14	415.19	10.15	-59.99
C=CCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689173	0	53	0.0	-67.67	408.12	8.47	-59.20
COC1=CC=CC=C1C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689174	0	57	0.0	-35.44	408.87	9.64	-25.80
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CC(OC)C1)[NH+]1CCCC1	REAL300012689175	0	57	0.0	-76.00	429.67	7.62	-68.38
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[NH+]1CCCC1	REAL300012689176	0	53	0.0	-71.86	404.63	8.69	-63.17
COC1=CC=CC=C1C(CNC(=O)N[C@@]1(C(=O)[O-])C[C@@H](OC)C1)[NH+]1CCCC1	REAL300012689177	0	57	0.0	-68.08	428.54	7.48	-60.60
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1	REAL300012689178	0	59	0.0	-76.68	426.87	11.54	-65.14
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])COC1)[NH+]1CCCC1	REAL300012689179	0	51	0.0	-66.33	387.03	5.71	-60.62
COC1=CC=CC=C1C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+]1CCCC1	REAL300012689180	0	58	0.0	-63.35	415.95	9.01	-54.34
COC1=CC=CC=C1C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689181	0	54	0.0	-78.28	401.92	10.64	-67.64
COC1=CC=CC=C1C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689182	0	57	0.0	-77.71	418.25	10.32	-67.39
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1	REAL300012689183	0	58	0.0	-65.04	415.13	10.45	-54.59
COC1=CC=CC=C1C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689184	0	53	0.0	-73.56	402.44	9.30	-64.26
COC1=CC=CC=C1C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[NH+]1CCCC1	REAL300012689185	0	55	0.0	-35.81	403.29	10.24	-25.57
COC1=CC=CC=C1C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])[NH+]1CCCC1	REAL300012689186	0	59	0.0	-76.84	418.57	9.58	-67.26
COC1=CC=CC=C1C(CNC(=O)NC(CCC(C)C)C(=O)[O-])[NH+]1CCCC1	REAL300012689187	0	61	0.0	-68.52	455.65	10.01	-58.51
COC1=CC=CC=C1C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)[NH+]1CCCC1	REAL300012689188	0	57	0.0	-66.89	418.65	9.59	-57.30
COC1=CC=CC=C1C(CNC(=O)NC(C(=O)[O-])C1CCCC1)[NH+]1CCCC1	REAL300012689189	0	59	0.0	-68.92	431.24	9.54	-59.38
COC1=CC=CC=C1C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)[NH+]1CCCC1	REAL300012689190	0	56	0.0	-69.12	416.90	5.96	-63.16
COC1=CC=CC=C1C(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[NH+]1CCCC1	REAL300012689191	0	56	0.0	-75.03	418.09	9.69	-65.34
COC1=CC=CC=C1C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])[NH+]1CCCC1	REAL300012689192	0	59	0.0	-49.30	433.66	10.65	-38.65
COC1=CC=CC=C1C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[NH+]1CCCC1	REAL300012689193	0	53	0.0	-73.00	405.50	9.99	-63.01
COCCCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689194	0	59	0.0	-66.61	450.01	7.85	-58.76
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1	REAL300012689195	0	58	0.0	-64.57	428.06	10.85	-53.72
CCOCC(NC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300012689196	0	56	0.0	-69.43	428.66	7.22	-62.21
COC1=CC=CC=C1C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+]1CCCC1	REAL300012689197	0	61	0.0	-62.13	445.12	10.34	-51.79
COC1=CC=CC=C1C(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[NH+]1CCCC1	REAL300012689198	0	57	0.0	-74.93	415.89	9.00	-65.93
COC1=CC=CC=C1C(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+]1CCCC1	REAL300012689199	0	53	0.0	-70.99	416.05	8.43	-62.56
COC1=CC=CC=C1C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]1CCCC1	REAL300012689200	0	52	0.0	-64.05	383.68	8.90	-55.15
CC(C)C[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689201	0	57	0.0	-68.28	439.91	9.68	-58.60
C=CCOCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689202	0	56	0.0	-69.38	447.47	8.15	-61.23
C=CC(C)C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689203	0	55	0.0	-60.98	429.68	9.45	-51.53
CC1CC[NH+](C(CNC(=O)N2CCC(C)CC2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689204	0	58	0.0	-72.63	424.57	11.68	-60.95
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689205	0	54	0.0	-49.08	420.28	10.92	-38.16
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C1CCC1	REAL300012689206	0	58	0.0	-55.31	433.08	11.24	-44.07
CCCN(C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(CC)C(=O)[O-]	REAL300012689207	0	60	0.0	-64.84	446.55	11.78	-53.06
CC(C)C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689208	0	54	0.0	-62.21	411.98	8.66	-53.55
CC1CC[NH+](C(CNC(=O)N2CCCCC2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689209	0	55	0.0	-73.62	410.69	11.55	-62.07
CC1CC[NH+](C(CNC(=O)N2CCSCC2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689210	0	53	0.0	-70.75	410.81	11.39	-59.36
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C2=CC=CS2)CC1	REAL300012689211	0	58	0.0	-70.33	424.41	10.22	-60.11
CC1CC[NH+](C(CNC(=O)N2CCCC2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689212	0	52	0.0	-69.72	400.01	10.29	-59.43
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CS2)CC1	REAL300012689213	0	55	0.0	-71.96	410.00	9.11	-62.85
CC1CC[NH+](C(CNC(=O)NCC(=O)[O-])C2=CC=CS2)CC1	REAL300012689214	0	45	0.0	-57.10	358.23	6.50	-50.60
CCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689215	0	51	0.0	-67.01	400.85	8.35	-58.66
CC(C)C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689216	0	54	0.0	-62.21	411.98	8.66	-53.55
CC1CC[NH+](C(CNC(=O)N(C)CC(=O)[O-])C2=CC=CS2)CC1	REAL300012689217	0	48	0.0	-66.40	376.97	9.18	-57.22
CC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689218	0	48	0.0	-58.78	379.34	7.30	-51.48
CCC(C)C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689219	0	57	0.0	-64.24	432.09	9.32	-54.92
CC1CC[NH+](C(CNC(=O)N(C)CC(=O)[O-])C2=CC=CS2)CC1	REAL300012689220	0	48	0.0	-66.40	376.97	9.18	-57.22
CC1CC[NH+](C(CNC(=O)N2CCCCC2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689221	0	55	0.0	-73.62	410.69	11.55	-62.07
CCCC(C)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689222	0	57	0.0	-62.11	426.49	9.48	-52.63
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689223	0	54	0.0	-47.59	408.93	10.43	-37.16
CC1CC[NH+](C(CNC(=O)N(CC(=O)[O-])C2CC2)C2=CC=CS2)CC1	REAL300012689224	0	52	0.0	-47.86	402.28	10.58	-37.28
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689225	0	52	0.0	-48.98	411.60	10.73	-38.25
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689226	0	57	0.0	-48.52	434.69	11.23	-37.29
CC1CC[NH+](C(CNC(=O)NC(C)(C)C(=O)[O-])C2=CC=CS2)CC1	REAL300012689227	0	51	0.0	-56.67	391.60	7.73	-48.94
CC1CC[NH+](C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC=CS2)CC1	REAL300012689228	0	55	0.0	-64.90	414.86	9.50	-55.40
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C2=CC=CS2)CC1	REAL300012689229	0	58	0.0	-70.33	424.41	10.22	-60.11
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689230	0	54	0.0	-47.59	408.93	10.43	-37.16
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689231	0	54	0.0	-49.08	420.28	10.92	-38.16
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689232	0	51	0.0	-66.54	398.79	10.16	-56.38
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689233	0	57	0.0	-64.24	432.09	9.32	-54.92
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CS2)CC1	REAL300012689234	0	55	0.0	-71.96	410.00	9.11	-62.85
CCC(C)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689235	0	54	0.0	-61.86	404.99	8.72	-53.14
C[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689236	0	48	0.0	-57.19	372.69	6.99	-50.20
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689237	0	51	0.0	-66.54	398.79	10.16	-56.38
C[C@@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689238	0	48	0.0	-57.89	379.39	7.35	-50.54
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CC2)C2=CC=CS2)CC1	REAL300012689239	0	49	0.0	-71.51	385.55	8.57	-62.94
CC1CC[NH+](C(CNC(=O)N2CCOCC2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689240	0	53	0.0	-70.83	402.02	8.97	-61.86
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2CC2)C2=CC=CS2)CC1	REAL300012689241	0	52	0.0	-65.82	407.60	8.87	-56.95
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689242	0	55	0.0	-50.13	430.16	9.35	-40.78
CC1CC[NH+](C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689243	0	52	0.0	-72.62	400.48	9.97	-62.65
CC1CC[NH+](C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689244	0	55	0.0	-77.41	403.91	10.96	-66.45
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689245	0	51	0.0	-62.14	391.19	9.29	-52.85
CC1CC[NH+](C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689246	0	52	0.0	-74.74	393.46	9.90	-64.84
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCC2)C2=CC=CS2)CC1	REAL300012689247	0	52	0.0	-71.32	402.38	9.10	-62.22
C=CCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689248	0	52	0.0	-66.82	414.13	8.81	-58.01
CC1CC[NH+](C(CNC(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CS2)CC1	REAL300012689249	0	55	0.0	-67.97	416.69	10.81	-57.16
CC1CC[NH+](C(CNC(=O)N2CCCCCC2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689250	0	58	0.0	-67.84	425.53	12.14	-55.70
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2CC2)C2=CC=CS2)CC1	REAL300012689251	0	52	0.0	-65.82	407.60	8.87	-56.95
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689252	0	51	0.0	-63.08	391.37	9.31	-53.77
CCCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689253	0	57	0.0	-66.54	443.60	9.96	-56.58
CC1CC[NH+](C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CS2)CC1	REAL300012689254	0	55	0.0	-69.18	417.23	10.85	-58.33
CC1CC[NH+](C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C2=CC=CS2)CC1	REAL300012689255	0	58	0.0	-49.05	435.50	11.76	-37.29
COCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689256	0	52	0.0	-68.25	412.57	6.64	-61.61
CCCCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689257	0	60	0.0	-66.51	465.10	10.74	-55.77
CC1CC[NH+](C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C2=CC=CS2)CC1	REAL300012689258	0	58	0.0	-69.46	426.65	11.20	-58.26
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C1CC1	REAL300012689259	0	55	0.0	-52.21	416.99	10.58	-41.63
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C1CC1	REAL300012689260	0	58	0.0	-56.96	438.30	11.92	-45.04
COCC(C)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689261	0	55	0.0	-66.47	423.24	8.01	-58.46
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689262	0	58	0.0	-65.06	443.85	9.76	-55.30
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689263	0	57	0.0	-48.52	434.69	11.23	-37.29
CC1CC[NH+](C(CNC(=O)N(CC(=O)[O-])C2CC2)C2=CC=CS2)CC1	REAL300012689264	0	52	0.0	-47.86	402.28	10.58	-37.28
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCOC2)C2=CC=CS2)CC1	REAL300012689265	0	53	0.0	-66.62	400.21	6.52	-60.10
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCOCC2)C2=CC=CS2)CC1	REAL300012689266	0	56	0.0	-66.78	422.16	8.10	-58.68
C=CCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689267	0	55	0.0	-66.48	434.92	9.74	-56.74
CC1CC[NH+](C(CNC(=O)NC(CF)C(=O)[O-])C2=CC=CS2)CC1	REAL300012689268	0	48	0.0	-55.70	382.95	7.33	-48.37
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689269	0	51	0.0	-63.08	391.37	9.31	-53.77
CCC(CC)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689270	0	57	0.0	-66.96	421.37	9.62	-57.34
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689271	0	57	0.0	-46.97	431.62	11.71	-35.26
CCC(COC)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689272	0	58	0.0	-71.72	439.67	8.93	-62.79
CC1CC[NH+](C(CNC(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CS2)CC1	REAL300012689273	0	55	0.0	-64.52	433.34	9.80	-54.72
COCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689274	0	55	0.0	-67.57	434.52	7.41	-60.16
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689275	0	60	0.0	-65.22	451.49	11.87	-53.35
CC1CC[NH+](C(CNC(=O)NC(CC(F)F)C(=O)[O-])C2=CC=CS2)CC1	REAL300012689276	0	51	0.0	-62.00	411.22	8.94	-53.06
CCCN(C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012689277	0	57	0.0	-46.61	431.02	11.83	-34.78
CC1CC[NH+](C(CNC(=O)NC(CCF)C(=O)[O-])C2=CC=CS2)CC1	REAL300012689278	0	51	0.0	-65.98	407.20	8.56	-57.42
CC1CC[NH+](C(CNC(=O)NC(C)(CCF)C(=O)[O-])C2=CC=CS2)CC1	REAL300012689279	0	54	0.0	-59.41	411.58	8.87	-50.54
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689280	0	51	0.0	-60.52	391.38	9.31	-51.21
CC1CC[NH+](C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C2=CC=CS2)CC1	REAL300012689281	0	53	0.0	-81.30	402.02	10.66	-70.64
CC1CC[NH+](C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=CC=CS2)CC1	REAL300012689282	0	57	0.0	-69.05	432.00	9.48	-59.57
C=C(Cl)CC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689283	0	52	0.0	-62.29	429.08	9.54	-52.75
C=C(C)CC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689284	0	55	0.0	-67.65	431.60	9.82	-57.83
CC1CC[NH+](C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C2=CC=CS2)CC1	REAL300012689285	0	56	0.0	-78.56	422.19	11.67	-66.89
CC1CC[NH+](C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689286	0	52	0.0	-71.38	399.79	10.00	-61.38
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CS2)[NH+]2CCC(C)CC2)C1	REAL300012689287	0	53	0.0	-73.37	407.75	9.96	-63.41
CC(C)C[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689288	0	57	0.0	-68.28	439.91	9.68	-58.60
CC1CC[NH+](C(CNC(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CS2)CC1	REAL300012689289	0	55	0.0	-64.52	433.34	9.80	-54.72
CSCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689290	0	52	0.0	-63.57	424.31	8.77	-54.80
COC[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689291	0	52	0.0	-64.26	412.57	6.64	-57.62
CC[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689292	0	51	0.0	-68.00	401.22	8.38	-59.62
CCC(C)CC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689293	0	60	0.0	-67.72	457.27	10.33	-57.39
C=CCCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689294	0	58	0.0	-66.68	456.42	10.53	-56.15
CC1CC[NH+](C(CNC(=O)N2CCSCC2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689295	0	53	0.0	-70.75	410.81	11.39	-59.36
CC1CC[NH+](C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689296	0	52	0.0	-72.62	400.48	9.97	-62.65
CCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689297	0	54	0.0	-66.55	422.11	9.18	-57.37
CC(C)[C@@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689298	0	54	0.0	-66.49	412.29	8.76	-57.73
CC1CC[NH+](C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C2=CC=CS2)CC1	REAL300012689299	0	56	0.0	-82.88	417.20	11.54	-71.34
CCN(C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(C)(C)C(=O)[O-]	REAL300012689300	0	57	0.0	-69.03	425.42	11.12	-57.91
CCCN(C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012689301	0	57	0.0	-46.61	431.02	11.83	-34.78
CC1CC[NH+](C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C2=CC=CS2)CC1	REAL300012689302	0	54	0.0	-69.02	406.04	10.23	-58.79
CC1CC[NH+](C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689303	0	52	0.0	-74.74	393.46	9.90	-64.84
CC1CC[NH+](C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689304	0	53	0.0	-72.19	412.00	6.59	-65.60
CCC[C@@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689305	0	54	0.0	-64.60	422.71	9.14	-55.46
C=CCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689306	0	55	0.0	-66.48	434.92	9.74	-56.74
CC1CC[NH+](C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CS2)CC1	REAL300012689307	0	55	0.0	-73.09	417.17	10.83	-62.26
CC(C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689308	0	54	0.0	-66.38	415.38	8.91	-57.47
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689309	0	51	0.0	-60.52	391.38	9.31	-51.21
CCC[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689310	0	54	0.0	-62.51	421.53	9.15	-53.36
CCN(C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012689311	0	54	0.0	-63.69	408.05	10.09	-53.60
CC1CC[NH+](C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C2=CC=CS2)CC1	REAL300012689312	0	58	0.0	-49.05	435.50	11.76	-37.29
CC(CN(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689313	0	54	0.0	-67.84	411.20	9.83	-58.01
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689314	0	57	0.0	-64.24	432.09	9.32	-54.92
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689315	0	54	0.0	-60.96	411.23	10.50	-50.46
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C2=CC=CS2)CC1	REAL300012689316	0	56	0.0	-71.06	434.65	6.38	-64.68
CC1CCC(NC(=O)NCC(C2=CC=CS2)[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012689317	0	58	0.0	-70.62	430.76	9.73	-60.89
COCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689318	0	55	0.0	-67.57	434.52	7.41	-60.16
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=CC=CS2)CC1	REAL300012689319	0	58	0.0	-67.64	438.19	10.77	-56.87
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C2=CC=CS2)CC1	REAL300012689320	0	55	0.0	-67.63	429.41	9.50	-58.13
CC1CC[NH+](C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689321	0	53	0.0	-75.34	410.65	6.76	-68.58
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2CCOC2)C2=CC=CS2)CC1	REAL300012689322	0	56	0.0	-64.74	427.99	7.41	-57.33
CC1CC[NH+](C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C2=CC=CS2)CC1	REAL300012689323	0	56	0.0	-76.10	421.70	11.40	-64.70
CC1CC[NH+](C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C2=CC=CS2)CC1	REAL300012689324	0	54	0.0	-71.08	414.54	9.10	-61.98
CC1CC[NH+](C(CNC(=O)N2CC(C)CCC2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689325	0	58	0.0	-78.41	425.36	11.76	-66.65
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2CCC2)C2=CC=CS2)CC1	REAL300012689326	0	55	0.0	-64.44	426.07	9.42	-55.02
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2CCC2)C2=CC=CS2)CC1	REAL300012689327	0	55	0.0	-64.44	426.07	9.42	-55.02
CC1CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCC(C)CC2)C1C(=O)[O-]	REAL300012689328	0	55	0.0	-73.11	415.78	10.45	-62.66
C=CCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689329	0	52	0.0	-66.82	414.13	8.81	-58.01
CC1CC[NH+](C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689330	0	56	0.0	-42.07	416.53	10.92	-31.15
COC1CC(NC(=O)NCC(C2=CC=CS2)[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012689331	0	56	0.0	-70.90	435.71	8.04	-62.86
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=CS2)[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012689332	0	56	0.0	-68.33	434.62	8.33	-60.00
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689333	0	58	0.0	-73.04	432.38	11.97	-61.07
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])COC2)C2=CC=CS2)CC1	REAL300012689334	0	50	0.0	-61.83	392.95	6.10	-55.73
CC(C)C(C)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689335	0	57	0.0	-62.89	421.72	9.41	-53.48
CC1CC[NH+](C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689336	0	53	0.0	-73.94	406.15	11.43	-62.51
CC1CC[NH+](C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689337	0	56	0.0	-75.01	416.96	10.75	-64.26
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689338	0	57	0.0	-64.76	425.57	11.16	-53.60
CC1CC[NH+](C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689339	0	52	0.0	-71.38	399.79	10.00	-61.38
CC1CC[NH+](C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689340	0	54	0.0	-48.63	415.73	11.08	-37.55
CC1CC[NH+](C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689341	0	58	0.0	-70.53	432.33	11.24	-59.29
CC(C)CCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689342	0	60	0.0	-66.73	461.17	10.48	-56.25
CC1CC[NH+](C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C2=CC=CS2)CC1	REAL300012689343	0	56	0.0	-72.59	423.70	10.31	-62.28
CC1CC[NH+](C(CNC(=O)NC(C(=O)[O-])C2CCCC2)C2=CC=CS2)CC1	REAL300012689344	0	58	0.0	-67.71	442.63	10.08	-57.63
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689345	0	55	0.0	-64.49	430.85	7.60	-56.89
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689346	0	55	0.0	-74.73	417.56	9.75	-64.98
CC1CC[NH+](C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689347	0	58	0.0	-47.47	441.52	10.91	-36.56
COCCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689348	0	58	0.0	-66.21	456.02	8.19	-58.02
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689349	0	57	0.0	-63.81	433.32	11.16	-52.65
CCOCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012689350	0	55	0.0	-68.63	434.43	7.62	-61.01
CC1CC[NH+](C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C2=CC=CS2)CC1	REAL300012689351	0	60	0.0	-64.29	450.98	10.78	-53.51
CC1CC[NH+](C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C2=CC=CS2)CC1	REAL300012689352	0	56	0.0	-70.37	421.57	9.59	-60.78
CC1CC[NH+](C(CNC(=O)NC(CCC#N)C(=O)[O-])C2=CC=CS2)CC1	REAL300012689353	0	52	0.0	-69.65	421.70	8.85	-60.80
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300012689354	0	51	0.0	-62.14	391.19	9.29	-52.85
CC[NH+](CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689355	0	56	0.0	-65.20	416.43	9.43	-55.77
C=CCOCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689356	0	55	0.0	-75.22	426.30	8.11	-67.11
C=CC(C)C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689357	0	54	0.0	-65.33	408.64	9.38	-55.95
CC[NH+](CC)C(CNC(=O)N1CCC(C)CC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689358	0	57	0.0	-75.38	411.23	10.39	-64.99
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC	REAL300012689359	0	53	0.0	-48.58	398.95	10.85	-37.73
CC[NH+](CC)C(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)C1=CC=CC=C1Cl	REAL300012689360	0	57	0.0	-48.63	417.01	11.45	-37.18
CCCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(CC)C(=O)[O-]	REAL300012689361	0	59	0.0	-51.58	427.16	12.92	-38.66
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)C1=CC=CC=C1Cl	REAL300012689362	0	53	0.0	-66.64	390.93	8.59	-58.05
CC[NH+](CC)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689363	0	54	0.0	-83.15	390.20	11.50	-71.65
CC[NH+](CC)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689364	0	52	0.0	-51.68	400.76	10.23	-41.45
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CC=C1Cl	REAL300012689365	0	57	0.0	-68.62	413.93	10.60	-58.02
CC[NH+](CC)C(CNC(=O)N1CCCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689366	0	51	0.0	-76.29	378.02	10.33	-65.96
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC=C1Cl	REAL300012689367	0	54	0.0	-69.72	394.16	9.15	-60.57
CC[NH+](CC)C(CNC(=O)NCC(=O)[O-])C1=CC=CC=C1Cl	REAL300012689368	0	44	0.0	-59.80	337.21	6.43	-53.37
CCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689369	0	50	0.0	-73.24	379.57	8.34	-64.90
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)C1=CC=CC=C1Cl	REAL300012689370	0	53	0.0	-66.64	390.93	8.59	-58.05
CC[NH+](CC)C(CNC(=O)N(C)CC(=O)[O-])C1=CC=CC=C1Cl	REAL300012689371	0	47	0.0	-72.46	355.59	9.11	-63.35
CC[NH+](CC)C(CNC(=O)NC(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689372	0	47	0.0	-61.94	358.31	7.22	-54.72
CCC(C)C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689373	0	56	0.0	-73.41	412.92	9.51	-63.90
CC[NH+](CC)C(CNC(=O)N(C)CC(=O)[O-])C1=CC=CC=C1Cl	REAL300012689374	0	47	0.0	-72.46	355.59	9.11	-63.35
CC[NH+](CC)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689375	0	54	0.0	-83.15	390.20	11.50	-71.65
CCCC(C)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689376	0	56	0.0	-73.81	405.46	9.41	-64.40
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)C1=CC=CC=C1Cl	REAL300012689377	0	53	0.0	-74.40	387.75	10.37	-64.03
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300012689378	0	51	0.0	-46.97	380.98	10.61	-36.36
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC	REAL300012689379	0	51	0.0	-48.35	390.26	10.67	-37.68
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(C)C)C1=CC=CC=C1Cl	REAL300012689380	0	56	0.0	-47.90	413.88	11.11	-36.79
CC[NH+](CC)C(CNC(=O)NC(C)(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689381	0	50	0.0	-58.75	370.57	7.66	-51.09
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300012689382	0	54	0.0	-74.53	393.35	9.19	-65.34
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CC=C1Cl	REAL300012689383	0	57	0.0	-68.62	413.93	10.60	-58.02
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)C1=CC=CC=C1Cl	REAL300012689384	0	53	0.0	-74.40	387.75	10.37	-64.03
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC	REAL300012689385	0	53	0.0	-48.58	398.95	10.85	-37.73
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC	REAL300012689386	0	50	0.0	-72.96	375.26	10.03	-62.93
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689387	0	56	0.0	-67.12	409.39	9.22	-57.90
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC=C1Cl	REAL300012689388	0	54	0.0	-69.72	394.16	9.15	-60.57
CC[NH+](CC)C(CNC(=O)NC(C)(CC)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689389	0	53	0.0	-73.48	383.96	8.64	-64.84
CC[NH+](CC)C(CNC(=O)N[C@@H](C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689390	0	47	0.0	-59.54	357.24	7.16	-52.38
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC	REAL300012689391	0	50	0.0	-72.96	375.26	10.03	-62.93
CC[NH+](CC)C(CNC(=O)N[C@H](C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689392	0	47	0.0	-61.51	357.99	7.26	-54.25
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300012689393	0	48	0.0	-79.13	364.13	8.47	-70.66
CC[NH+](CC)C(CNC(=O)N1CCOCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689394	0	52	0.0	-74.94	386.08	9.07	-65.87
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300012689395	0	51	0.0	-66.60	386.73	8.77	-57.83
CC[NH+](CC)C(CNC(=O)N(CCOC)CC(=O)[O-])C1=CC=CC=C1Cl	REAL300012689396	0	54	0.0	-49.00	408.69	9.28	-39.72
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689397	0	51	0.0	-81.95	378.07	10.00	-71.95
CC[NH+](CC)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689398	0	54	0.0	-48.77	394.78	9.95	-38.82
CC[NH+](CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689399	0	50	0.0	-69.57	368.58	9.09	-60.48
CC[NH+](CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689400	0	51	0.0	-73.17	378.31	9.83	-63.34
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC1)C1=CC=CC=C1Cl	REAL300012689401	0	51	0.0	-70.43	385.55	9.09	-61.34
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CC[NH+](CC)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689403	0	54	0.0	-74.83	394.81	10.73	-64.10
CC[NH+](CC)C(CNC(=O)N1CCCCCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689404	0	57	0.0	-80.06	403.07	12.00	-68.06
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300012689405	0	51	0.0	-66.60	386.73	8.77	-57.83
CC[NH+](CC)C(CNC(=O)N(C)C(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689406	0	50	0.0	-65.36	369.37	9.26	-56.10
CCCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689407	0	56	0.0	-73.62	422.81	9.82	-63.80
CC[NH+](CC)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689408	0	54	0.0	-72.03	392.62	10.65	-61.38
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CC=C1Cl	REAL300012689409	0	57	0.0	-47.04	413.85	11.65	-35.39
CC[NH+](CC)C(CNC(=O)NC(COC)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689410	0	51	0.0	-74.39	391.54	6.56	-67.83
CCCCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689411	0	59	0.0	-73.25	444.06	10.67	-62.58
CC[NH+](CC)C(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)C1=CC=CC=C1Cl	REAL300012689412	0	57	0.0	-69.37	412.25	11.34	-58.03
CC[NH+](CC)C(CNC(=O)N(C(C)C(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300012689413	0	54	0.0	-52.32	396.19	10.81	-41.51
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C1CC1	REAL300012689414	0	57	0.0	-58.10	415.51	11.98	-46.12
CC[NH+](CC)C(CNC(=O)NC(C)(COC)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689415	0	54	0.0	-78.02	402.20	7.93	-70.09
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC	REAL300012689416	0	57	0.0	-69.25	421.98	9.57	-59.68
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(C)C)C1=CC=CC=C1Cl	REAL300012689417	0	56	0.0	-47.90	413.88	11.11	-36.79
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300012689418	0	51	0.0	-46.97	380.98	10.61	-36.36
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CC=CC=C1Cl	REAL300012689419	0	52	0.0	-71.81	385.23	6.59	-65.22
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1Cl	REAL300012689420	0	55	0.0	-69.08	400.66	7.78	-61.30
C=CCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689421	0	54	0.0	-73.20	413.88	9.67	-63.53
CC[NH+](CC)C(CNC(=O)NC(CF)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689422	0	47	0.0	-59.30	361.92	7.25	-52.05
CC[NH+](CC)C(CNC(=O)N(C)C(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689423	0	50	0.0	-65.36	369.37	9.26	-56.10
CC[NH+](CC)C(CNC(=O)NC(CC)(CC)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689424	0	56	0.0	-68.55	400.62	9.54	-59.01
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC	REAL300012689425	0	56	0.0	-45.54	408.55	11.40	-34.14
CC[NH+](CC)C(CNC(=O)NC(CC)(COC)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689426	0	57	0.0	-79.95	418.64	8.86	-71.09
CC[NH+](CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689427	0	54	0.0	-66.61	410.58	9.85	-56.76
CC[NH+](CC)C(CNC(=O)NC(CCOC)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689428	0	54	0.0	-74.05	413.48	7.34	-66.71
CC[NH+](CC)C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689429	0	59	0.0	-70.55	430.06	11.80	-58.75
CC[NH+](CC)C(CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689430	0	50	0.0	-67.56	390.18	8.86	-58.70
CCCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012689431	0	56	0.0	-36.42	404.03	11.40	-25.02
CC[NH+](CC)C(CNC(=O)NC(CCF)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689432	0	50	0.0	-72.74	386.40	8.41	-64.33
CC[NH+](CC)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689433	0	53	0.0	-70.70	390.55	8.78	-61.92
CC[NH+](CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689434	0	50	0.0	-67.54	374.45	9.58	-57.96
CC[NH+](CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC=CC=C1Cl	REAL300012689435	0	52	0.0	-81.74	381.85	10.77	-70.97
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC=CC=C1Cl	REAL300012689436	0	56	0.0	-74.06	405.60	9.59	-64.47
C=C(C)CC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689437	0	54	0.0	-74.84	411.39	9.58	-65.26
CC[NH+](CC)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CC=CC=C1Cl	REAL300012689438	0	55	0.0	-86.15	398.66	11.67	-74.48
CC[NH+](CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689439	0	51	0.0	-76.92	389.23	10.52	-66.40
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](CC)CC)C1	REAL300012689440	0	52	0.0	-74.35	392.20	10.32	-64.03
CC[NH+](CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689441	0	56	0.0	-65.20	416.43	9.43	-55.77
CC[NH+](CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689442	0	54	0.0	-66.61	410.58	9.85	-56.76
CC[NH+](CC)C(CNC(=O)NC(CSC)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689443	0	51	0.0	-69.68	403.28	8.70	-60.98
CC[NH+](CC)C(CNC(=O)N[C@@H](COC)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689444	0	51	0.0	-68.67	391.67	6.52	-62.15
CC[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689445	0	50	0.0	-66.11	379.72	8.08	-58.03
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C=CCCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689447	0	57	0.0	-73.45	435.38	10.45	-63.00
CC[NH+](CC)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689448	0	52	0.0	-51.68	400.76	10.23	-41.45
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689449	0	51	0.0	-81.95	378.07	10.00	-71.95
CCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689450	0	53	0.0	-73.64	401.31	9.04	-64.60
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C1=CC=CC=C1Cl	REAL300012689451	0	53	0.0	-69.81	388.52	8.80	-61.01
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689452	0	55	0.0	-84.55	399.73	11.79	-72.76
CCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(C)(C)C(=O)[O-]	REAL300012689453	0	56	0.0	-72.81	402.94	11.15	-61.66
CCCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012689454	0	56	0.0	-36.42	404.03	11.40	-25.02
CC[NH+](CC)C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689455	0	53	0.0	-76.98	384.99	9.99	-66.99
CC[NH+](CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689456	0	51	0.0	-73.17	378.31	9.83	-63.34
CC[NH+](CC)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689457	0	52	0.0	-84.12	388.45	6.63	-77.49
CCC[C@@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689458	0	53	0.0	-73.71	400.57	8.95	-64.76
C=CCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689459	0	54	0.0	-73.20	413.88	9.67	-63.53
CC[NH+](CC)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689460	0	54	0.0	-80.51	396.09	10.54	-69.97
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C1=CC=CC=C1Cl	REAL300012689461	0	53	0.0	-64.07	393.88	8.61	-55.46
CC[NH+](CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689462	0	50	0.0	-67.54	374.45	9.58	-57.96
CCC[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689463	0	53	0.0	-64.99	400.39	8.84	-56.15
CCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012689464	0	53	0.0	-69.27	384.84	9.93	-59.34
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CC=C1Cl	REAL300012689465	0	57	0.0	-47.04	413.85	11.65	-35.39
CC[NH+](CC)C(CNC(=O)N(C)CC(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689466	0	53	0.0	-78.17	390.92	10.00	-68.17
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689467	0	56	0.0	-67.12	409.39	9.22	-57.90
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC	REAL300012689468	0	53	0.0	-69.06	394.92	10.57	-58.49
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CC=CC=C1Cl	REAL300012689469	0	55	0.0	-70.75	417.82	6.37	-64.38
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)C1=CC=CC=C1Cl	REAL300012689470	0	57	0.0	-68.99	420.47	10.12	-58.87
CC[NH+](CC)C(CNC(=O)NC(CCOC)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689471	0	54	0.0	-74.05	413.48	7.34	-66.71
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CC=CC=C1Cl	REAL300012689472	0	57	0.0	-79.79	417.37	10.69	-69.10
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=CC=C1Cl	REAL300012689473	0	54	0.0	-66.70	408.43	9.91	-56.79
CC[NH+](CC)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689474	0	52	0.0	-86.41	388.97	6.49	-79.92
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CC=CC=C1Cl	REAL300012689475	0	55	0.0	-73.32	406.48	7.11	-66.21
CC[NH+](CC)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689476	0	55	0.0	-76.40	397.66	11.33	-65.07
CC[NH+](CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CC=CC=C1Cl	REAL300012689477	0	53	0.0	-79.15	395.57	9.28	-69.87
CC[NH+](CC)C(CNC(=O)N1CC(C)CCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689478	0	57	0.0	-82.59	411.04	12.08	-70.51
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC=C1Cl	REAL300012689479	0	54	0.0	-73.92	399.49	9.24	-64.68
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC=C1Cl	REAL300012689480	0	54	0.0	-73.92	399.49	9.24	-64.68
CC[NH+](CC)C(CNC(=O)N1CCC(C)C1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689481	0	54	0.0	-81.43	395.40	10.11	-71.32
C=CCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689482	0	51	0.0	-73.42	393.10	8.73	-64.69
CC[NH+](CC)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689483	0	55	0.0	-37.20	395.73	10.57	-26.63
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(OC)C1)C1=CC=CC=C1Cl	REAL300012689484	0	55	0.0	-80.67	414.21	7.75	-72.92
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)C1=CC=CC=C1Cl	REAL300012689485	0	55	0.0	-71.57	409.02	8.05	-63.52
CC[NH+](CC)C(CNC(=O)N1CCCC1(CC)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689486	0	57	0.0	-81.33	405.39	11.05	-70.28
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])COC1)C1=CC=CC=C1Cl	REAL300012689487	0	49	0.0	-71.92	371.77	6.03	-65.89
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C1=CC=CC=C1Cl	REAL300012689488	0	56	0.0	-68.63	400.67	9.35	-59.28
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689489	0	52	0.0	-82.08	384.83	10.91	-71.17
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689490	0	55	0.0	-84.10	400.74	10.63	-73.47
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC	REAL300012689491	0	56	0.0	-70.01	401.30	10.79	-59.22
CC[NH+](CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689492	0	51	0.0	-76.92	389.23	10.52	-66.40
CC[NH+](CC)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689493	0	53	0.0	-39.70	393.59	10.86	-28.84
CC[NH+](CC)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689494	0	57	0.0	-79.28	415.47	11.32	-67.96
CC[NH+](CC)C(CNC(=O)NC(CCC(C)C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689495	0	59	0.0	-73.83	440.37	10.34	-63.49
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CC=CC=C1Cl	REAL300012689496	0	55	0.0	-73.18	402.31	10.22	-62.96
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CC=CC=C1Cl	REAL300012689497	0	57	0.0	-75.00	416.03	9.80	-65.20
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C1=CC=CC=C1Cl	REAL300012689498	0	54	0.0	-66.49	409.71	7.31	-59.18
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)C1=CC=CC=C1Cl	REAL300012689499	0	54	0.0	-73.42	407.54	10.11	-63.31
CC[NH+](CC)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689500	0	57	0.0	-36.99	412.49	10.34	-26.65
CC[NH+](CC)C(CNC(=O)NC(CCCOC)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689501	0	57	0.0	-72.41	434.98	8.11	-64.30
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC	REAL300012689502	0	56	0.0	-68.90	412.53	11.17	-57.73
CCOCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300012689503	0	54	0.0	-74.77	413.40	7.54	-67.23
CC[NH+](CC)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689504	0	59	0.0	-67.23	429.94	10.71	-56.52
CC[NH+](CC)C(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689505	0	55	0.0	-70.12	400.00	9.45	-60.67
CC[NH+](CC)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689506	0	51	0.0	-75.85	400.66	8.78	-67.07
CC[NH+](CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012689507	0	50	0.0	-69.57	368.58	9.09	-60.48
CC(C)C[C@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689508	0	53	0.0	-70.73	397.73	9.57	-61.16
C=CCOCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689509	0	52	0.0	-65.50	404.92	7.93	-57.57
C=CC(C)C(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689510	0	51	0.0	-71.60	384.37	9.02	-62.58
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)CC1=CC=CC=C1	REAL300012689511	0	55	0.0	-68.90	403.78	7.92	-60.98
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)CC1=CC=CC=C1	REAL300012689512	0	51	0.0	-60.88	407.92	10.41	-50.47
COC1CCN(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012689513	0	55	0.0	-77.84	393.86	9.18	-68.66
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)CC1=CC=CC=C1	REAL300012689514	0	55	0.0	-63.48	403.16	8.03	-55.45
CC1CCN(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012689515	0	54	0.0	-78.20	381.49	11.41	-66.79
CC1=CC(C(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300012689516	0	54	0.0	-67.63	422.17	10.91	-56.72
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)CC1=CC=CC=C1	REAL300012689517	0	56	0.0	-66.42	431.10	10.14	-56.28
CC1=CC(C)=CC(C(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012689518	0	57	0.0	-66.72	438.04	11.61	-55.11
CC1=CC=C(C(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1C	REAL300012689519	0	57	0.0	-67.28	433.87	11.41	-55.87
CC1=CC=CC(C(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])=C1C	REAL300012689520	0	57	0.0	-66.81	427.27	11.33	-55.48
CCCN(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689521	0	50	0.0	-44.69	377.13	10.68	-34.01
CC(C(=O)[O-])N(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C1CCC1	REAL300012689522	0	54	0.0	-35.11	379.36	11.46	-23.65
CCCN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012689523	0	57	0.0	-72.76	418.65	11.55	-61.21
CCCN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012689524	0	56	0.0	-35.64	395.11	11.63	-24.01
CC(C)C(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689525	0	50	0.0	-65.71	375.83	8.73	-56.98
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012689526	0	51	0.0	-79.35	367.92	11.36	-67.99
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)CC1=CC=CC=C1	REAL300012689527	0	51	0.0	-66.95	411.95	10.81	-56.14
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012689528	0	49	0.0	-78.90	364.28	10.22	-68.68
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)CC1=CC=CC=C1	REAL300012689529	0	54	0.0	-68.49	387.20	10.33	-58.16
C[NH+](C)C(CNC(=O)N1CCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012689530	0	48	0.0	-78.05	358.61	9.62	-68.43
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300012689531	0	51	0.0	-68.73	372.11	9.20	-59.53
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)CC1=CC=CC=C1	REAL300012689532	0	57	0.0	-76.17	392.87	11.00	-65.17
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689533	0	54	0.0	-72.91	417.65	11.15	-61.76
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300012689534	0	54	0.0	-55.25	413.81	12.93	-42.32
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012689535	0	51	0.0	-66.67	395.42	10.21	-56.46
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012689536	0	51	0.0	-69.99	395.20	10.29	-59.70
CCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689537	0	47	0.0	-65.53	358.79	8.16	-57.37
CC(C)C(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689538	0	50	0.0	-65.71	375.83	8.73	-56.98
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689539	0	54	0.0	-72.91	417.65	11.15	-61.76
CCC(C)C(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689540	0	53	0.0	-64.69	388.37	9.09	-55.60
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012689541	0	51	0.0	-79.35	367.92	11.36	-67.99
CCCC(C)(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689542	0	53	0.0	-64.58	384.43	9.27	-55.31
CC(C)N(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689543	0	50	0.0	-45.38	365.13	10.17	-35.21
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012689544	0	48	0.0	-42.88	359.90	10.51	-32.37
C=CCN(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689545	0	48	0.0	-44.58	368.44	10.49	-34.09
CC(C)CN(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689546	0	53	0.0	-43.99	391.55	10.99	-33.00
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])CC1=CC=CC=C1	REAL300012689547	0	55	0.0	-79.02	404.86	13.20	-65.82
C[NH+](C)C(CNC(=O)NC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012689548	0	47	0.0	-57.93	349.54	7.53	-50.40
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012689549	0	51	0.0	-66.10	372.92	9.25	-56.85
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)CC1=CC=CC=C1	REAL300012689550	0	48	0.0	-68.62	387.05	9.29	-59.33
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)CC1=CC=CC=C1	REAL300012689551	0	54	0.0	-68.49	387.20	10.33	-58.16
CC(C)N(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689552	0	50	0.0	-45.38	365.13	10.17	-35.21
CCCN(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689553	0	50	0.0	-44.69	377.13	10.68	-34.01
CCN(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689554	0	47	0.0	-70.43	352.39	9.79	-60.64
CC[C@H](C)[C@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689555	0	53	0.0	-71.32	390.52	9.09	-62.23
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300012689556	0	51	0.0	-68.73	372.11	9.20	-59.53
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)CC1=CC=CC=C1	REAL300012689557	0	54	0.0	-53.63	422.19	13.00	-40.63
CCC(C)(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689558	0	50	0.0	-64.39	362.93	8.52	-55.87
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)CC1=CC=CC=C1	REAL300012689559	0	55	0.0	-71.53	411.80	11.38	-60.15
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)CC1=CC=CC=C1	REAL300012689560	0	51	0.0	-66.99	405.03	10.37	-56.62
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012689561	0	54	0.0	-67.07	401.90	11.02	-56.05
CCN(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689562	0	47	0.0	-70.43	352.39	9.79	-60.64
CCCCCCC(C)(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689563	0	62	0.0	-64.68	448.92	11.61	-53.07
CN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012689564	0	57	0.0	-65.10	428.27	13.19	-51.91
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300012689565	0	45	0.0	-71.39	342.02	8.32	-63.07
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)CC1=CC=CC=C1	REAL300012689566	0	51	0.0	-66.95	411.95	10.81	-56.14
C[NH+](C)C(CNC(=O)N1CCOCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012689567	0	49	0.0	-75.88	356.91	7.54	-68.34
CN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300012689568	0	57	0.0	-70.07	396.18	11.46	-58.61
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012689569	0	48	0.0	-70.58	363.02	8.63	-61.95
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])CC1=CC=CC=C1	REAL300012689570	0	57	0.0	-45.81	437.03	13.71	-32.10
CN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012689571	0	54	0.0	-67.82	402.56	11.86	-55.96
COCCN(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689572	0	51	0.0	-45.42	387.01	9.11	-36.31
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)CC1=CC=CC=C1	REAL300012689573	0	55	0.0	-74.72	410.46	11.32	-63.40
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689574	0	48	0.0	-77.04	358.37	9.75	-67.29
C[NH+](C)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689575	0	51	0.0	-73.78	365.27	10.68	-63.10
C[C@H](C(=O)[O-])N(C)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689576	0	47	0.0	-62.97	349.31	9.03	-53.94
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689577	0	48	0.0	-76.89	357.28	10.03	-66.86
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC1)CC1=CC=CC=C1	REAL300012689578	0	48	0.0	-70.02	358.93	8.82	-61.20
C=CCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689579	0	48	0.0	-64.83	372.10	8.60	-56.23
C[NH+](C)C(CNC(=O)N1CCCC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012689580	0	51	0.0	-70.93	375.19	10.58	-60.35
C[NH+](C)C(CNC(=O)N1CCCCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012689581	0	54	0.0	-73.87	381.30	11.62	-62.25
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012689582	0	48	0.0	-70.58	363.02	8.63	-61.95
CC(C(=O)[O-])N(C)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689583	0	47	0.0	-62.25	348.90	9.21	-53.04
CCCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689584	0	53	0.0	-65.35	401.79	9.70	-55.65
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])CC1=CC=CC=C1	REAL300012689585	0	57	0.0	-45.81	437.03	13.71	-32.10
C[NH+](C)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012689586	0	51	0.0	-77.13	374.92	10.60	-66.53
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300012689587	0	54	0.0	-43.77	393.29	11.49	-32.28
COCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689588	0	48	0.0	-66.39	370.65	6.39	-60.00
CCCCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689589	0	56	0.0	-65.37	423.29	10.48	-54.89
CCC1CCC(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012689590	0	60	0.0	-74.83	426.49	11.58	-63.25
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)CC1=CC=CC=C1	REAL300012689591	0	55	0.0	-44.46	401.71	9.82	-34.64
CN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300012689592	0	54	0.0	-77.91	382.89	11.15	-66.76
CC(C(=O)[O-])N(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C1CC1	REAL300012689593	0	51	0.0	-61.09	375.32	10.59	-50.50
CCC(C(=O)[O-])N(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C1CC1	REAL300012689594	0	54	0.0	-49.04	396.41	11.81	-37.23
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)CC1=CC=CC=C1	REAL300012689595	0	51	0.0	-72.46	407.41	10.63	-61.83
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)CC1=CC=CC=C1	REAL300012689596	0	51	0.0	-75.80	399.61	10.36	-65.44
C[NH+](C)C(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])CC1=CC=CC=C1	REAL300012689597	0	55	0.0	-57.06	407.99	12.64	-44.42
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689598	0	60	0.0	-72.06	438.68	11.36	-60.70
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689599	0	57	0.0	-45.09	422.92	13.70	-31.39
CC1=CC=C(C(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012689600	0	54	0.0	-66.15	416.61	10.96	-55.19
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300012689601	0	47	0.0	-60.34	374.72	8.85	-51.49
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)CC1=CC=CC=C1	REAL300012689602	0	52	0.0	-70.89	384.90	10.02	-60.87
COCC(C)(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689603	0	51	0.0	-69.08	381.18	7.80	-61.28
CCOCC(C(=O)[O-])N(C)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689604	0	54	0.0	-63.91	401.16	9.69	-54.22
CC(C)CN(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689605	0	53	0.0	-43.99	391.55	10.99	-33.00
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689606	0	60	0.0	-43.29	440.98	13.52	-29.77
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300012689607	0	48	0.0	-42.88	359.90	10.51	-32.37
C[NH+](C)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1=CC=CC=C1	REAL300012689608	0	50	0.0	-45.22	395.26	11.07	-34.15
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC1)CC1=CC=CC=C1	REAL300012689609	0	49	0.0	-68.98	363.21	6.64	-62.34
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)CC1=CC=CC=C1	REAL300012689610	0	57	0.0	-67.35	413.05	10.34	-57.01
CN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300012689611	0	58	0.0	-64.17	428.46	10.95	-53.22
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012689612	0	58	0.0	-31.66	428.08	12.77	-18.89
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300012689613	0	52	0.0	-74.16	378.63	7.84	-66.32
C=CCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689614	0	51	0.0	-65.19	393.10	9.48	-55.71
C[NH+](C)C(CNC(=O)NC(CF)C(=O)[O-])CC1=CC=CC=C1	REAL300012689615	0	44	0.0	-55.73	340.42	7.17	-48.56
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689616	0	57	0.0	-35.70	420.93	12.81	-22.89
CC(C(=O)[O-])N(C)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689617	0	47	0.0	-62.25	348.90	9.21	-53.04
CCC(CC)(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689618	0	53	0.0	-65.53	379.60	9.41	-56.12
COC1=CC=C(C(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012689619	0	55	0.0	-66.29	424.72	9.59	-56.70
CCC(C)N(CC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689620	0	53	0.0	-44.11	388.88	11.56	-32.55
CCC(COC)(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689621	0	54	0.0	-70.35	397.85	8.71	-61.64
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689622	0	57	0.0	-64.41	421.10	10.35	-54.06
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)CC1=CC=CC=C1	REAL300012689623	0	54	0.0	-76.62	403.73	6.33	-70.29
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689624	0	51	0.0	-70.43	390.89	9.68	-60.75
COCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689625	0	51	0.0	-64.94	391.63	7.22	-57.72
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689626	0	56	0.0	-63.94	407.73	11.55	-52.39
C[NH+](C)C(CNC(=O)NC(CC(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300012689627	0	47	0.0	-59.81	368.57	8.68	-51.13
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689628	0	57	0.0	-80.89	408.60	12.55	-68.34
CCCN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012689629	0	53	0.0	-68.43	382.51	10.53	-57.90
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689630	0	57	0.0	-50.10	419.65	12.85	-37.25
CCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012689631	0	57	0.0	-72.02	420.12	11.84	-60.18
COC1CCCC(C(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C1	REAL300012689632	0	61	0.0	-70.17	444.81	9.42	-60.75
C[NH+](C)C(CNC(=O)NC(CCF)C(=O)[O-])CC1=CC=CC=C1	REAL300012689633	0	47	0.0	-64.72	365.38	8.30	-56.42
COC1(CC(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012689634	0	58	0.0	-71.33	429.71	9.50	-61.83
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)CC1=CC=CC=C1	REAL300012689635	0	55	0.0	-44.46	401.71	9.82	-34.64
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)CC1=CC=CC=C1	REAL300012689636	0	57	0.0	-44.07	410.66	12.19	-31.88
C[C@H]1CC[C@@](NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012689637	0	57	0.0	-75.03	401.23	10.71	-64.32
COC1=CC=CC(C(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012689638	0	55	0.0	-68.83	424.70	9.58	-59.25
C[NH+](C)C(CNC(=O)NC(C)(CCF)C(=O)[O-])CC1=CC=CC=C1	REAL300012689639	0	50	0.0	-61.83	369.52	8.67	-53.16
C[NH+](C)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012689640	0	52	0.0	-59.63	390.02	10.80	-48.83
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689641	0	48	0.0	-66.64	371.83	9.91	-56.73
COC1=CC=CC([C@H](NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012689642	0	55	0.0	-72.14	424.27	9.52	-62.62
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689643	0	47	0.0	-66.57	350.34	9.19	-57.38
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C1	REAL300012689644	0	57	0.0	-77.94	422.62	11.97	-65.97
COC1=CC=CC(CC(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012689645	0	58	0.0	-70.33	447.16	10.44	-59.89
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)CC1=CC=CC=C1	REAL300012689646	0	60	0.0	-76.58	414.83	11.21	-65.37
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)CC1=CC=CC=C1	REAL300012689647	0	49	0.0	-80.12	364.68	10.57	-69.55
COC1CN(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012689648	0	55	0.0	-71.00	408.45	9.57	-61.43
C[NH+](C)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689649	0	58	0.0	-64.69	430.44	9.03	-55.66
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1=CC=CC=C1	REAL300012689650	0	53	0.0	-66.53	389.58	9.26	-57.27
C=C(Cl)CC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689651	0	48	0.0	-66.67	388.06	9.21	-57.46
C=C(C)CC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689652	0	51	0.0	-65.39	392.64	9.35	-56.04
C[NH+](C)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)CC1=CC=CC=C1	REAL300012689653	0	52	0.0	-83.89	378.95	11.47	-72.42
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689654	0	48	0.0	-70.55	371.83	9.91	-60.64
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689655	0	48	0.0	-75.52	364.90	10.17	-65.35
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C1	REAL300012689656	0	49	0.0	-77.30	372.61	10.16	-67.14
C[NH+](C)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689657	0	58	0.0	-65.25	426.29	9.67	-55.58
CC(C)C[C@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689658	0	53	0.0	-70.73	397.73	9.57	-61.16
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)CC1=CC=CC=C1	REAL300012689659	0	55	0.0	-68.90	403.78	7.92	-60.98
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012689660	0	51	0.0	-69.99	395.20	10.29	-59.70
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689661	0	51	0.0	-70.43	390.89	9.68	-60.75
C[NH+](C)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689662	0	50	0.0	-65.73	404.22	8.34	-57.39
CC(C)CCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689663	0	59	0.0	-64.42	440.02	10.99	-53.43
C[NH+](C)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689664	0	55	0.0	-69.06	415.23	8.58	-60.48
CSCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689665	0	48	0.0	-62.74	382.26	8.57	-54.17
COC[C@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689666	0	48	0.0	-71.13	370.67	6.37	-64.76
CC[C@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689667	0	47	0.0	-69.85	358.46	8.17	-61.68
C[NH+](C)C(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689668	0	54	0.0	-65.06	423.83	11.29	-53.77
CCC(C)CC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689669	0	56	0.0	-65.60	415.72	10.11	-55.49
C=CCCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689670	0	54	0.0	-64.95	414.60	10.27	-54.68
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689671	0	54	0.0	-70.64	424.06	11.21	-59.43
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012689672	0	49	0.0	-78.90	364.28	10.22	-68.68
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012689673	0	54	0.0	-67.07	401.90	11.02	-56.05
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689674	0	48	0.0	-77.04	358.37	9.75	-67.29
CCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689675	0	50	0.0	-65.42	380.29	8.92	-56.50
CC(C)[C@@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689676	0	50	0.0	-65.74	371.39	8.46	-57.28
C[NH+](C)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])CC1=CC=CC=C1	REAL300012689677	0	52	0.0	-81.87	377.89	11.64	-70.23
CCN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012689678	0	53	0.0	-73.65	378.07	10.77	-62.88
CCCN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012689679	0	53	0.0	-68.43	382.51	10.53	-57.90
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1=CC=CC=C1	REAL300012689680	0	47	0.0	-65.16	368.30	10.06	-55.10
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1=CC=CC=C1	REAL300012689681	0	47	0.0	-65.16	368.30	10.06	-55.10
CN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012689682	0	50	0.0	-73.31	363.89	10.03	-63.28
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689683	0	48	0.0	-76.89	357.28	10.03	-66.86
C[NH+](C)C(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])CC1=CC=CC=C1	REAL300012689684	0	60	0.0	-56.98	445.16	8.40	-48.58
C[NH+](C)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689685	0	49	0.0	-73.86	368.32	6.35	-67.51
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689686	0	55	0.0	-75.96	409.82	12.72	-63.24
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)[C@H]1C(=O)[O-]	REAL300012689687	0	58	0.0	-49.63	421.52	13.18	-36.45
CCC[C@@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689688	0	50	0.0	-64.83	380.54	8.96	-55.87
C[NH+](C)C(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])CC1=CC=CC=C1	REAL300012689689	0	56	0.0	-64.92	411.41	11.23	-53.69
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012689690	0	51	0.0	-66.67	395.42	10.21	-56.46
C[NH+](C)C(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689691	0	56	0.0	-67.34	435.33	10.22	-57.12
C=CCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689692	0	51	0.0	-65.19	393.10	9.48	-55.71
C[NH+](C)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689693	0	50	0.0	-67.59	404.49	8.15	-59.44
C[NH+](C)C(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300012689694	0	51	0.0	-87.70	385.16	7.54	-80.16
CN1CC(C(=O)[O-])N(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)CC1=O	REAL300012689695	0	52	0.0	-68.68	388.91	8.70	-59.98
C[NH+](C)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012689696	0	51	0.0	-71.32	375.18	10.60	-60.72
CC(C)[C@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689697	0	50	0.0	-69.05	373.60	8.68	-60.37
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300012689698	0	51	0.0	-70.39	395.41	10.20	-60.19
C[NH+](C)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689699	0	54	0.0	-68.59	404.90	9.53	-59.06
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689700	0	47	0.0	-66.57	350.34	9.19	-57.38
CCC[C@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689701	0	50	0.0	-69.80	379.90	8.91	-60.89
CCN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012689702	0	50	0.0	-71.82	366.42	10.61	-61.21
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300012689703	0	54	0.0	-43.77	393.29	11.49	-32.28
CC(CN(C)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689704	0	50	0.0	-71.63	369.16	9.61	-62.02
CC[C@H](C)[C@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689705	0	53	0.0	-71.32	390.52	9.09	-62.23
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689706	0	50	0.0	-67.52	370.80	10.26	-57.26
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)CC1=CC=CC=C1	REAL300012689707	0	52	0.0	-74.70	389.35	6.02	-68.68
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689708	0	60	0.0	-72.96	442.77	9.45	-63.51
CC1CCC(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012689709	0	54	0.0	-74.29	393.76	9.86	-64.43
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)CC1=CC=CC=C1	REAL300012689710	0	57	0.0	-69.05	403.22	10.49	-58.56
COCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689711	0	51	0.0	-64.94	391.63	7.22	-57.72
CN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012689712	0	57	0.0	-65.10	428.27	13.19	-51.91
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)CC1=CC=CC=C1	REAL300012689713	0	54	0.0	-70.71	395.02	10.54	-60.17
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)CC1=CC=CC=C1	REAL300012689714	0	51	0.0	-66.47	380.74	9.47	-57.00
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689715	0	60	0.0	-66.74	444.35	9.38	-57.36
C[NH+](C)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689716	0	49	0.0	-77.56	368.78	6.54	-71.02
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)CC1=CC=CC=C1	REAL300012689717	0	52	0.0	-68.07	392.01	7.28	-60.79
C[NH+](C)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])CC1=CC=CC=C1	REAL300012689718	0	52	0.0	-81.75	380.13	11.18	-70.57
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)CC1=CC=CC=C1	REAL300012689719	0	55	0.0	-73.96	427.12	10.35	-63.61
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)CC1=CC=CC=C1	REAL300012689720	0	50	0.0	-76.36	366.84	8.85	-67.51
CC1CCC(C(=O)[O-])N(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C1	REAL300012689721	0	54	0.0	-78.75	388.76	11.95	-66.80
CC(C1=CC=CC=C1)C(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689722	0	57	0.0	-66.57	422.62	11.17	-55.40
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689723	0	58	0.0	-65.66	427.53	11.93	-53.73
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)CC1=CC=CC=C1	REAL300012689724	0	51	0.0	-71.08	379.41	9.11	-61.97
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)CC1=CC=CC=C1	REAL300012689725	0	57	0.0	-67.35	413.05	10.34	-57.01
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)CC1=CC=CC=C1	REAL300012689726	0	51	0.0	-71.08	379.41	9.11	-61.97
CC1CCN(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C1C(=O)[O-]	REAL300012689727	0	51	0.0	-77.64	372.84	10.20	-67.44
C=CCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689728	0	48	0.0	-64.83	372.10	8.60	-56.23
C[NH+](C)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689729	0	58	0.0	-74.70	433.50	9.31	-65.39
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)CC1=CC=CC=C1	REAL300012689730	0	58	0.0	-48.15	404.65	11.88	-36.27
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)CC1=CC=CC=C1	REAL300012689731	0	58	0.0	-76.02	406.59	9.21	-66.81
CC1=CC=CC2=C1CCN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C2C(=O)[O-]	REAL300012689732	0	58	0.0	-84.44	422.29	13.60	-70.84
C[NH+](C)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689733	0	52	0.0	-51.23	379.84	11.02	-40.21
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689734	0	58	0.0	-65.66	427.53	11.93	-53.73
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689735	0	54	0.0	-68.71	423.86	11.28	-57.43
COC1CC(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012689736	0	52	0.0	-77.57	392.28	7.80	-69.77
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)CC1=CC=CC=C1	REAL300012689737	0	48	0.0	-73.41	367.47	8.85	-64.56
CO[C@H]1C[C@](NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012689738	0	52	0.0	-70.26	391.66	7.75	-62.51
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)CC1=CC=CC=C1	REAL300012689739	0	51	0.0	-69.49	401.69	9.74	-59.75
CCC1(C(=O)[O-])CCCN1C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689740	0	54	0.0	-71.24	390.33	11.76	-59.48
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300012689741	0	47	0.0	-60.34	374.72	8.85	-51.49
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689742	0	55	0.0	-65.84	414.18	8.20	-57.64
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])COC1)CC1=CC=CC=C1	REAL300012689743	0	46	0.0	-68.16	349.87	5.87	-62.29
C[NH+](C)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689744	0	51	0.0	-64.53	409.90	10.14	-54.39
COCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012689745	0	58	0.0	-69.34	436.20	10.17	-59.17
CC(C)C(C)(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689746	0	53	0.0	-70.36	377.85	9.14	-61.22
C[NH+](C)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689747	0	49	0.0	-79.43	365.38	11.18	-68.25
C[NH+](C)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689748	0	52	0.0	-79.47	379.88	10.58	-68.89
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689749	0	57	0.0	-50.10	419.65	12.85	-37.25
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689750	0	60	0.0	-72.06	438.68	11.36	-60.70
C[NH+](C)C(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689751	0	57	0.0	-71.75	440.69	11.92	-59.83
C[NH+](C)C(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689752	0	57	0.0	-66.80	440.69	11.92	-54.88
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)CC1=CC=CC=C1	REAL300012689753	0	58	0.0	-73.11	419.73	10.93	-62.18
C[NH+](C)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689754	0	60	0.0	-65.43	438.20	11.43	-54.00
C[NH+](C)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689755	0	60	0.0	-72.05	438.68	11.36	-60.69
C[NH+](C)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300012689756	0	58	0.0	-37.79	413.65	11.59	-26.20
C[NH+](C)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689757	0	58	0.0	-74.05	415.82	11.82	-62.23
COC1=CC=C(CC(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012689758	0	58	0.0	-67.68	446.97	10.51	-57.17
C=CCSCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689759	0	52	0.0	-62.69	416.53	10.03	-52.66
C[NH+](C)C(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689760	0	55	0.0	-66.66	438.30	11.60	-55.06
CCC(C(=O)[O-])N(CC)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689761	0	53	0.0	-73.06	381.80	11.51	-61.55
COC1(C(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012689762	0	55	0.0	-67.21	404.39	7.68	-59.53
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)CC1=CC=CC=C1	REAL300012689763	0	57	0.0	-76.90	419.84	11.15	-65.75
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)CC1=CC=CC=C1	REAL300012689764	0	58	0.0	-73.44	424.96	12.26	-61.18
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)CC1=CC=CC=C1	REAL300012689765	0	51	0.0	-65.92	392.77	9.73	-56.19
CC(C)C1=CC=C(C(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012689767	0	60	0.0	-70.02	455.67	12.13	-57.89
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689768	0	48	0.0	-75.52	364.90	10.17	-65.35
C[NH+](C)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012689769	0	50	0.0	-37.52	366.06	10.52	-27.00
C[NH+](C)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012689770	0	54	0.0	-78.67	392.44	10.65	-68.02
CCOC1=CC=C(C(NC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012689771	0	58	0.0	-69.84	446.55	10.51	-59.33
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012689772	0	58	0.0	-74.54	416.57	11.89	-62.65
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)CC1=CC=CC=C1	REAL300012689773	0	58	0.0	-66.08	436.33	12.23	-53.85
C[NH+](C)C(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689774	0	58	0.0	-71.21	437.88	11.24	-59.97
CC(C)CCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689775	0	56	0.0	-65.53	419.35	10.22	-55.31
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300012689776	0	55	0.0	-37.35	398.82	11.19	-26.16
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689777	0	55	0.0	-65.84	414.18	8.20	-57.64
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C1	REAL300012689778	0	52	0.0	-70.74	399.72	11.22	-59.52
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)CC1=CC=CC=C1	REAL300012689779	0	55	0.0	-67.75	397.36	10.73	-57.02
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)CC1=CC=CC=C1	REAL300012689780	0	52	0.0	-68.76	383.26	9.90	-58.86
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)CC1=CC=CC=C1	REAL300012689781	0	55	0.0	-73.44	402.94	10.48	-62.96
CN(C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012689782	0	57	0.0	-65.69	428.30	13.10	-52.59
C[NH+](C)C(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)CC1=CC=CC=C1	REAL300012689783	0	61	0.0	-50.70	432.38	12.48	-38.22
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300012689784	0	54	0.0	-70.94	395.62	9.69	-61.25
CO[C@H](C)[C@H](NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689785	0	51	0.0	-70.97	388.76	7.38	-63.59
CC1[C@@H](C)[C@@]1(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689786	0	51	0.0	-76.19	382.33	9.86	-66.33
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300012689787	0	54	0.0	-55.25	413.81	12.93	-42.32
C[NH+](C)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300012689788	0	54	0.0	-50.88	396.30	10.82	-40.06
C[NH+](C)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])CC1=CC=CC=C1	REAL300012689789	0	51	0.0	-76.48	378.40	11.13	-65.35
C[NH+](C)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012689790	0	48	0.0	-75.63	367.98	10.15	-65.48
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689791	0	54	0.0	-68.71	423.86	11.28	-57.43
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689792	0	51	0.0	-65.68	408.54	10.07	-55.61
C[NH+](C)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012689793	0	51	0.0	-69.97	387.16	10.70	-59.27
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)CC1=CC=CC=C1	REAL300012689794	0	55	0.0	-70.59	422.47	10.88	-59.71
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012689795	0	51	0.0	-65.68	408.54	10.07	-55.61
C[NH+](C)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012689796	0	55	0.0	-79.53	397.03	11.39	-68.14
COCCCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689797	0	54	0.0	-65.02	413.96	7.99	-57.03
CCCC(C(=O)[O-])N(C)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689798	0	53	0.0	-63.41	390.73	10.91	-52.50
CCOCC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300012689799	0	51	0.0	-65.89	392.02	7.35	-58.54
C[NH+](C)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012689800	0	56	0.0	-71.97	409.95	10.55	-61.42
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)CC1=CC=CC=C1	REAL300012689801	0	55	0.0	-73.27	410.04	8.68	-64.59
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)CC1=CC=CC=C1	REAL300012689802	0	55	0.0	-71.53	411.80	11.38	-60.15
C[C@H]1OCCN(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012689803	0	52	0.0	-74.92	380.31	9.36	-65.56
C[NH+](C)C(CNC(=O)NC(CCC#N)C(=O)[O-])CC1=CC=CC=C1	REAL300012689804	0	48	0.0	-67.64	379.64	8.66	-58.98
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)CC1=CC=CC=C1	REAL300012689805	0	51	0.0	-46.68	391.99	10.81	-35.87
C[C@H](C(=O)[O-])N(C)C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300012689806	0	47	0.0	-62.97	349.31	9.03	-53.94
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C1	REAL300012689807	0	55	0.0	-69.43	412.36	10.08	-59.35
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689808	0	50	0.0	-72.08	390.88	8.18	-63.90
C=CCOCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689809	0	49	0.0	-74.47	399.35	6.68	-67.79
C=CC(C)C(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689810	0	48	0.0	-74.91	384.40	8.00	-66.91
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CC(F)=C1	REAL300012689811	0	52	0.0	-75.25	400.94	6.91	-68.34
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1=CC=CC(F)=C1	REAL300012689812	0	48	0.0	-71.08	401.11	9.06	-62.02
COC1CCN(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012689813	0	52	0.0	-79.13	394.12	8.77	-70.36
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CC=CC(F)=C1	REAL300012689814	0	52	0.0	-72.99	396.44	6.72	-66.27
CC1CCN(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012689815	0	51	0.0	-78.58	375.82	10.14	-68.44
CC1=CC(C(NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300012689816	0	51	0.0	-70.81	415.51	9.70	-61.11
CC1=CC(C(NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C(=O)[O-])=CC(C)=C1	REAL300012689817	0	54	0.0	-76.62	431.58	10.32	-66.30
CC1=CC=C(C(NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C(=O)[O-])C=C1C	REAL300012689818	0	54	0.0	-76.39	426.82	10.15	-66.24
CC1=CC=CC(C(NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C(=O)[O-])=C1C	REAL300012689819	0	54	0.0	-76.52	419.01	9.94	-66.58
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689820	0	47	0.0	-67.01	372.30	9.42	-57.59
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C1CCC1	REAL300012689821	0	51	0.0	-70.26	385.01	9.79	-60.47
CCCN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012689822	0	54	0.0	-71.60	410.19	9.01	-62.59
CCCN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012689823	0	53	0.0	-70.33	398.58	10.27	-60.06
CC(C)C(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689824	0	47	0.0	-71.94	364.31	7.25	-64.69
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689825	0	48	0.0	-79.79	362.54	10.05	-69.74
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=CC(F)=C1	REAL300012689826	0	48	0.0	-72.44	405.13	9.46	-62.98
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689827	0	46	0.0	-76.23	362.11	9.81	-66.42
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CC(F)=C1	REAL300012689828	0	51	0.0	-77.21	382.39	9.06	-68.15
C[NH+](C)C(CNC(=O)N1CCCC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689829	0	45	0.0	-79.53	351.63	8.76	-70.77
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC(F)=C1	REAL300012689830	0	48	0.0	-77.51	367.29	7.92	-69.59
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C1=CC=CC(F)=C1	REAL300012689831	0	54	0.0	-74.42	388.07	9.74	-64.68
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689832	0	51	0.0	-72.77	411.04	9.92	-62.85
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CC(F)=C1	REAL300012689833	0	51	0.0	-67.11	409.79	11.66	-55.45
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL300012689834	0	48	0.0	-75.45	388.72	8.90	-66.55
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL300012689835	0	48	0.0	-76.35	389.00	8.92	-67.43
CCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689836	0	44	0.0	-72.08	352.62	6.91	-65.17
CC(C)C(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689837	0	47	0.0	-71.94	364.31	7.25	-64.69
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689838	0	51	0.0	-72.77	411.04	9.92	-62.85
CCC(C)C(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689839	0	50	0.0	-76.28	384.11	7.80	-68.48
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689840	0	48	0.0	-79.79	362.54	10.05	-69.74
CCCC(C)(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689841	0	50	0.0	-71.04	378.50	7.98	-63.06
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689842	0	47	0.0	-65.39	361.39	8.94	-56.45
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC(F)=C1	REAL300012689843	0	45	0.0	-61.46	353.57	9.17	-52.29
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689844	0	45	0.0	-66.84	363.61	9.21	-57.63
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689845	0	50	0.0	-66.93	386.96	9.93	-57.00
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689846	0	52	0.0	-80.02	401.23	12.02	-68.00
C[NH+](C)C(CNC(=O)NC(C)(C)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689847	0	44	0.0	-67.30	343.62	6.22	-61.08
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=CC(F)=C1	REAL300012689848	0	48	0.0	-74.21	366.18	7.95	-66.26
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1=CC=CC(F)=C1	REAL300012689849	0	45	0.0	-74.89	380.63	7.99	-66.90
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CC(F)=C1	REAL300012689850	0	51	0.0	-77.21	382.39	9.06	-68.15
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689851	0	47	0.0	-65.39	361.39	8.94	-56.45
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689852	0	47	0.0	-67.01	372.30	9.42	-57.59
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689853	0	44	0.0	-71.61	350.80	8.65	-62.96
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689854	0	50	0.0	-71.75	383.06	7.83	-63.92
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC(F)=C1	REAL300012689855	0	48	0.0	-77.51	367.29	7.92	-69.59
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1=CC=CC(F)=C1	REAL300012689856	0	51	0.0	-65.38	416.21	11.73	-53.65
CCC(C)(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689857	0	47	0.0	-70.73	357.01	7.22	-63.51
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=CC(F)=C1	REAL300012689858	0	52	0.0	-73.90	406.99	10.09	-63.81
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1=CC=CC(F)=C1	REAL300012689859	0	48	0.0	-73.42	399.61	9.08	-64.34
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL300012689860	0	51	0.0	-75.07	397.00	9.72	-65.35
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689861	0	44	0.0	-71.61	350.80	8.65	-62.96
CCCCCCC(C)(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689862	0	59	0.0	-71.07	443.00	10.31	-60.76
CN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012689863	0	54	0.0	-72.09	420.37	11.88	-60.21
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300012689864	0	42	0.0	-80.64	333.54	7.93	-72.71
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=CC(F)=C1	REAL300012689865	0	48	0.0	-72.44	405.13	9.46	-62.98
C[NH+](C)C(CNC(=O)N1CCOCC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689866	0	46	0.0	-76.45	353.60	7.37	-69.08
CN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300012689867	0	54	0.0	-78.51	391.49	10.38	-68.13
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC(F)=C1	REAL300012689868	0	45	0.0	-72.43	362.30	7.38	-65.05
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CC(F)=C1	REAL300012689869	0	54	0.0	-68.24	432.22	12.44	-55.80
CN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012689870	0	51	0.0	-79.17	398.57	11.19	-67.98
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689871	0	48	0.0	-68.15	382.18	7.84	-60.31
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1=CC=CC(F)=C1	REAL300012689872	0	52	0.0	-78.46	404.04	10.04	-68.42
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689873	0	45	0.0	-79.07	351.96	8.42	-70.65
C[NH+](C)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689874	0	48	0.0	-77.99	362.90	9.79	-68.20
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689875	0	44	0.0	-72.44	342.51	7.82	-64.62
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689876	0	45	0.0	-76.91	348.56	9.72	-67.19
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC1)C1=CC=CC(F)=C1	REAL300012689877	0	45	0.0	-74.57	353.49	7.55	-67.02
C=CCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689878	0	45	0.0	-72.34	366.15	7.30	-65.04
C[NH+](C)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689879	0	48	0.0	-75.26	368.38	9.29	-65.97
C[NH+](C)C(CNC(=O)N1CCCCCC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689880	0	51	0.0	-71.01	374.46	10.17	-60.84
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC(F)=C1	REAL300012689881	0	45	0.0	-72.43	362.30	7.38	-65.05
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689882	0	44	0.0	-70.08	343.39	7.80	-62.28
CCCCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689883	0	50	0.0	-71.80	395.63	8.45	-63.35
C[NH+](C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CC(F)=C1	REAL300012689884	0	54	0.0	-68.24	432.22	12.44	-55.80
C[NH+](C)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689885	0	48	0.0	-79.59	368.77	9.29	-70.30
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CC(F)=C1	REAL300012689886	0	51	0.0	-65.93	386.82	10.20	-55.73
COCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689887	0	45	0.0	-74.20	364.72	5.09	-69.11
CCCCCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689888	0	53	0.0	-72.34	417.37	9.17	-63.17
CCC1CCC(NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012689889	0	57	0.0	-76.35	421.12	10.28	-66.07
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=CC(F)=C1	REAL300012689890	0	52	0.0	-66.56	395.56	8.55	-58.01
CN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300012689891	0	51	0.0	-78.88	378.10	9.64	-69.24
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C1CC1	REAL300012689892	0	48	0.0	-64.39	368.71	9.18	-55.21
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C1CC1	REAL300012689893	0	51	0.0	-69.41	389.57	10.39	-59.02
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1=CC=CC(F)=C1	REAL300012689894	0	48	0.0	-77.73	400.99	9.34	-68.39
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1=CC=CC(F)=C1	REAL300012689895	0	48	0.0	-81.53	393.44	9.00	-72.53
C[NH+](C)C(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689896	0	52	0.0	-64.99	403.74	11.35	-53.64
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689897	0	57	0.0	-72.31	432.96	10.11	-62.20
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689898	0	54	0.0	-67.52	421.68	12.54	-54.98
CC1=CC=C(C(NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012689899	0	51	0.0	-73.60	410.21	9.66	-63.94
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689900	0	44	0.0	-67.22	368.56	7.62	-59.60
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)C1=CC=CC(F)=C1	REAL300012689901	0	49	0.0	-72.91	379.77	8.74	-64.17
COCC(C)(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689902	0	48	0.0	-75.23	375.25	6.50	-68.73
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689903	0	51	0.0	-71.82	395.25	8.15	-63.67
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689904	0	50	0.0	-66.93	386.96	9.93	-57.00
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC(F)=C1	REAL300012689905	0	45	0.0	-61.46	353.57	9.17	-52.29
C[NH+](C)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1=CC=CC(F)=C1	REAL300012689906	0	47	0.0	-67.42	390.43	9.80	-57.62
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CC=CC(F)=C1	REAL300012689907	0	46	0.0	-71.05	358.39	5.36	-65.69
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CC(F)=C1	REAL300012689908	0	54	0.0	-70.23	402.88	10.10	-60.13
CN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300012689909	0	55	0.0	-75.85	423.16	9.69	-66.16
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL300012689910	0	55	0.0	-46.62	426.05	12.66	-33.96
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)C1=CC=CC(F)=C1	REAL300012689911	0	49	0.0	-73.17	373.49	6.54	-66.63
C=CCCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689912	0	48	0.0	-72.27	387.18	8.17	-64.10
C[NH+](C)C(CNC(=O)NC(CF)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689913	0	41	0.0	-65.01	334.97	5.82	-59.19
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689914	0	54	0.0	-56.51	413.84	12.49	-44.02
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689915	0	44	0.0	-70.08	343.39	7.80	-62.28
CCC(CC)(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689916	0	50	0.0	-74.35	373.68	8.11	-66.24
COC1=CC=C(C(NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012689917	0	52	0.0	-75.46	417.90	8.23	-67.23
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689918	0	50	0.0	-66.38	381.52	9.98	-56.40
CCC(COC)(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689919	0	51	0.0	-76.24	391.70	7.42	-68.82
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689920	0	54	0.0	-72.45	416.14	9.00	-63.45
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689921	0	48	0.0	-72.25	384.99	8.27	-63.98
COCCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689922	0	48	0.0	-72.38	386.30	5.97	-66.41
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689923	0	53	0.0	-71.16	403.72	10.35	-60.81
C[NH+](C)C(CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689924	0	44	0.0	-69.03	363.49	7.37	-61.66
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689925	0	54	0.0	-79.64	403.44	11.03	-68.61
CCCN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012689926	0	50	0.0	-55.69	381.12	10.18	-45.51
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689927	0	54	0.0	-56.41	416.86	12.57	-43.84
CCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012689928	0	54	0.0	-73.75	413.80	10.59	-63.16
COC1CCCC(C(NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C(=O)[O-])C1	REAL300012689929	0	58	0.0	-79.31	438.08	8.11	-71.20
C[NH+](C)C(CNC(=O)NC(CCF)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689930	0	44	0.0	-71.33	359.22	7.05	-64.28
COC1(CC(NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012689931	0	55	0.0	-77.58	422.56	8.09	-69.49
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=CC(F)=C1	REAL300012689932	0	52	0.0	-66.56	395.56	8.55	-58.01
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C1=CC=CC(F)=C1	REAL300012689933	0	54	0.0	-66.27	404.20	10.91	-55.36
C[C@H]1CC[C@@](NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012689934	0	54	0.0	-77.48	396.19	9.44	-68.04
COC1=CC=CC(C(NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012689935	0	52	0.0	-76.21	418.55	8.20	-68.01
C[NH+](C)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689936	0	47	0.0	-68.31	363.60	7.36	-60.95
C[NH+](C)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689937	0	49	0.0	-65.70	385.48	9.41	-56.29
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689938	0	45	0.0	-71.51	361.73	9.48	-62.03
COC1=CC=CC([C@H](NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300012689939	0	52	0.0	-75.46	418.20	8.19	-67.27
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689940	0	44	0.0	-69.36	343.58	7.88	-61.48
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C1	REAL300012689941	0	54	0.0	-78.39	417.26	10.63	-67.76
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1=CC=CC(F)=C1	REAL300012689942	0	57	0.0	-74.02	409.91	9.92	-64.10
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC=CC(F)=C1	REAL300012689943	0	46	0.0	-83.14	359.95	9.30	-73.84
COC1CN(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012689944	0	52	0.0	-79.59	401.70	8.26	-71.33
C[NH+](C)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689945	0	55	0.0	-71.72	424.02	7.74	-63.98
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC=CC(F)=C1	REAL300012689946	0	50	0.0	-71.71	382.67	8.02	-63.69
C=C(Cl)CC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689947	0	45	0.0	-68.80	381.09	8.03	-60.77
C=C(C)CC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689948	0	48	0.0	-72.16	384.20	8.22	-63.94
C[NH+](C)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CC=CC(F)=C1	REAL300012689949	0	49	0.0	-83.40	372.83	10.20	-73.20
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689950	0	45	0.0	-75.39	365.34	8.62	-66.77
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689951	0	45	0.0	-74.61	358.28	8.83	-65.78
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C1	REAL300012689952	0	46	0.0	-81.50	365.82	8.82	-72.68
C[NH+](C)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689953	0	55	0.0	-71.97	419.88	8.38	-63.59
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689954	0	50	0.0	-72.08	390.88	8.18	-63.90
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CC(F)=C1	REAL300012689955	0	52	0.0	-75.25	400.94	6.91	-68.34
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL300012689956	0	48	0.0	-76.35	389.00	8.92	-67.43
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689957	0	48	0.0	-72.25	384.99	8.27	-63.98
C[NH+](C)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689958	0	47	0.0	-73.91	397.83	7.03	-66.88
CC(C)CCCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689959	0	56	0.0	-71.71	434.69	9.75	-61.96
C[NH+](C)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689960	0	52	0.0	-76.23	409.05	7.22	-69.01
CSCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689961	0	45	0.0	-69.83	376.33	7.26	-62.57
COC[C@H](NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689962	0	45	0.0	-73.58	364.41	5.07	-68.51
CC[C@H](NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689963	0	44	0.0	-71.96	352.55	6.84	-65.12
C[NH+](C)C(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689964	0	51	0.0	-73.81	417.37	9.91	-63.90
CCC(C)CC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689965	0	53	0.0	-72.88	409.55	8.83	-64.05
C=CCCCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689966	0	51	0.0	-71.94	408.44	9.01	-62.93
C[NH+](C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689967	0	51	0.0	-70.17	417.09	9.97	-60.20
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689968	0	46	0.0	-76.23	362.11	9.81	-66.42
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL300012689969	0	51	0.0	-75.07	397.00	9.72	-65.35
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689970	0	45	0.0	-79.07	351.96	8.42	-70.65
CCCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689971	0	47	0.0	-71.95	374.13	7.67	-64.28
CC(C)[C@@H](NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689972	0	47	0.0	-74.87	364.66	7.16	-67.71
C[NH+](C)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689973	0	49	0.0	-83.81	373.45	10.28	-73.53
CCN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012689974	0	50	0.0	-72.99	377.84	9.60	-63.39
CCCN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012689975	0	50	0.0	-55.69	381.12	10.18	-45.51
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CC(F)=C1	REAL300012689976	0	44	0.0	-69.26	365.28	9.16	-60.10
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CC(F)=C1	REAL300012689977	0	44	0.0	-69.26	365.28	9.16	-60.10
CN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012689978	0	47	0.0	-73.60	358.27	8.77	-64.83
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689979	0	45	0.0	-76.91	348.56	9.72	-67.19
C[NH+](C)C(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1=CC=CC(F)=C1	REAL300012689980	0	57	0.0	-60.97	436.10	8.11	-52.86
C[NH+](C)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689981	0	46	0.0	-78.21	363.21	5.04	-73.17
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689982	0	52	0.0	-78.07	402.74	12.37	-65.70
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)[C@H]1C(=O)[O-]	REAL300012689983	0	55	0.0	-71.71	415.51	11.90	-59.81
CCC[C@@H](NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689984	0	47	0.0	-74.69	374.05	7.60	-67.09
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL300012689985	0	48	0.0	-75.45	388.72	8.90	-66.55
C[NH+](C)C(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689986	0	53	0.0	-73.90	428.91	8.93	-64.97
C=CCCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689987	0	48	0.0	-72.27	387.18	8.17	-64.10
C[NH+](C)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689988	0	47	0.0	-74.19	397.57	6.92	-67.27
C[NH+](C)C(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689989	0	48	0.0	-85.10	381.59	6.35	-78.75
CN1CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)CC1=O	REAL300012689990	0	49	0.0	-72.44	379.75	8.01	-64.43
C[NH+](C)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689991	0	48	0.0	-76.10	368.73	9.31	-66.79
CC(C)[C@H](NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689992	0	47	0.0	-72.24	369.59	7.40	-64.84
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL300012689993	0	48	0.0	-73.41	388.68	8.90	-64.51
C[NH+](C)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012689994	0	51	0.0	-73.83	403.08	8.31	-65.52
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012689995	0	44	0.0	-69.36	343.58	7.88	-61.48
CCC[C@H](NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689996	0	47	0.0	-71.02	373.23	7.63	-63.39
CCN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012689997	0	47	0.0	-69.93	360.58	8.68	-61.25
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CC(F)=C1	REAL300012689998	0	51	0.0	-65.93	386.82	10.20	-55.73
CC(CN(C)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012689999	0	47	0.0	-76.06	364.10	8.34	-67.72
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690000	0	50	0.0	-71.75	383.06	7.83	-63.92
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012690001	0	47	0.0	-69.80	363.52	8.85	-60.95
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CC=CC(F)=C1	REAL300012690002	0	49	0.0	-82.16	384.54	4.73	-77.43
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690003	0	57	0.0	-74.82	436.21	8.13	-66.69
CC1CCC(NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012690004	0	51	0.0	-77.25	389.06	8.57	-68.68
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1=CC=CC(F)=C1	REAL300012690005	0	54	0.0	-77.32	398.40	9.31	-68.01
COCCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690006	0	48	0.0	-72.38	386.30	5.97	-66.41
CN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012690007	0	54	0.0	-72.09	420.37	11.88	-60.21
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CC=CC(F)=C1	REAL300012690008	0	51	0.0	-74.87	389.88	9.24	-65.63
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=CC(F)=C1	REAL300012690009	0	48	0.0	-73.66	381.45	7.92	-65.74
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690010	0	57	0.0	-76.43	436.48	8.18	-68.25
C[NH+](C)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690011	0	46	0.0	-82.73	358.65	6.15	-76.58
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CC=CC(F)=C1	REAL300012690012	0	49	0.0	-75.07	379.32	5.87	-69.20
C[NH+](C)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690013	0	49	0.0	-87.43	370.06	10.80	-76.63
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C21)C1=CC=CC(F)=C1	REAL300012690014	0	52	0.0	-80.29	420.71	9.06	-71.23
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CC=CC(F)=C1	REAL300012690015	0	47	0.0	-77.31	365.71	7.60	-69.71
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C1	REAL300012690016	0	51	0.0	-79.19	383.38	10.64	-68.55
CC(C1=CC=CC=C1)C(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690017	0	54	0.0	-72.48	426.46	10.26	-62.22
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690018	0	55	0.0	-72.08	421.11	10.64	-61.44
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC(F)=C1	REAL300012690019	0	48	0.0	-73.31	379.64	7.89	-65.42
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CC(F)=C1	REAL300012690020	0	54	0.0	-70.23	402.88	10.10	-60.13
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC(F)=C1	REAL300012690021	0	48	0.0	-73.31	379.64	7.89	-65.42
CC1CCN(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C1C(=O)[O-]	REAL300012690022	0	48	0.0	-76.79	372.67	9.03	-67.76
C=CCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690023	0	45	0.0	-72.34	366.15	7.30	-65.04
C[NH+](C)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690024	0	55	0.0	-70.82	424.87	8.64	-62.18
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1=CC=CC(F)=C1	REAL300012690025	0	55	0.0	-51.05	399.36	10.47	-40.58
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1=CC=CC(F)=C1	REAL300012690026	0	55	0.0	-73.81	402.62	7.87	-65.94
CC1=CC=CC2=C1CCN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C2C(=O)[O-]	REAL300012690027	0	55	0.0	-70.95	421.16	11.90	-59.05
C[NH+](C)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690028	0	49	0.0	-55.89	374.06	9.76	-46.13
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690029	0	55	0.0	-72.08	421.11	10.64	-61.44
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690030	0	51	0.0	-74.11	417.71	9.92	-64.19
COC1CC(NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012690031	0	49	0.0	-77.69	387.36	6.52	-71.17
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1=CC=CC(F)=C1	REAL300012690032	0	45	0.0	-75.46	362.10	7.57	-67.89
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012690033	0	49	0.0	-74.92	385.94	6.82	-68.10
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1=CC=CC(F)=C1	REAL300012690034	0	48	0.0	-67.43	393.42	8.42	-59.01
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012690035	0	51	0.0	-79.41	382.14	10.30	-69.11
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690036	0	44	0.0	-67.22	368.56	7.62	-59.60
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690037	0	52	0.0	-72.60	407.76	6.90	-65.70
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])COC1)C1=CC=CC(F)=C1	REAL300012690038	0	43	0.0	-69.71	344.65	4.56	-65.15
C[NH+](C)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690039	0	48	0.0	-76.35	403.17	8.91	-67.44
CC(C)C(C)(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690040	0	50	0.0	-71.25	371.93	7.84	-63.41
C[NH+](C)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690041	0	46	0.0	-81.22	359.09	9.91	-71.31
C[NH+](C)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690042	0	49	0.0	-80.17	374.44	9.49	-70.68
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012690043	0	54	0.0	-56.41	416.86	12.57	-43.84
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690044	0	57	0.0	-72.31	432.96	10.11	-62.20
C[NH+](C)C(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690045	0	54	0.0	-72.03	433.12	10.63	-61.40
C[NH+](C)C(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690046	0	54	0.0	-75.17	433.71	10.68	-64.49
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1=CC=CC(F)=C1	REAL300012690047	0	55	0.0	-77.12	414.83	9.47	-67.65
C[NH+](C)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690048	0	57	0.0	-75.30	432.87	10.03	-65.27
C[NH+](C)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690049	0	57	0.0	-71.71	432.63	10.09	-61.62
C[NH+](C)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690050	0	55	0.0	-59.81	415.17	10.55	-49.26
C[NH+](C)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690051	0	55	0.0	-77.63	408.89	10.51	-67.12
C=CCSCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690052	0	49	0.0	-70.41	410.85	8.65	-61.76
C[NH+](C)C(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690053	0	52	0.0	-76.03	432.05	10.25	-65.78
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012690054	0	50	0.0	-70.46	377.07	9.54	-60.92
COC1(C(NC(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012690055	0	52	0.0	-70.02	399.95	6.49	-63.53
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C1=CC=CC(F)=C1	REAL300012690056	0	55	0.0	-74.36	420.35	10.98	-63.38
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1=CC=CC(F)=C1	REAL300012690057	0	48	0.0	-73.58	387.95	8.46	-65.12
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690059	0	45	0.0	-74.61	358.28	8.83	-65.78
C[NH+](C)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690060	0	47	0.0	-62.33	367.65	9.57	-52.76
C[NH+](C)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690061	0	51	0.0	-79.02	383.45	9.69	-69.33
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690062	0	55	0.0	-77.63	408.41	11.45	-66.18
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C1=CC=CC(F)=C1	REAL300012690063	0	55	0.0	-71.85	428.39	11.36	-60.49
CC(C)CCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690064	0	53	0.0	-71.94	413.19	8.97	-62.97
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690065	0	52	0.0	-58.52	399.59	10.18	-48.34
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690066	0	52	0.0	-72.60	407.76	6.90	-65.70
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C1	REAL300012690067	0	49	0.0	-75.75	391.26	10.82	-64.93
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1=CC=CC(F)=C1	REAL300012690068	0	52	0.0	-79.27	388.23	9.70	-69.57
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CC=CC(F)=C1	REAL300012690069	0	49	0.0	-82.36	372.30	9.76	-72.60
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1=CC=CC(F)=C1	REAL300012690070	0	52	0.0	-76.41	396.52	9.19	-67.22
CN(C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012690071	0	54	0.0	-75.80	421.49	11.89	-63.91
C[NH+](C)C(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1=CC=CC(F)=C1	REAL300012690072	0	58	0.0	-61.43	427.66	11.21	-50.22
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CC=CC(F)=C1	REAL300012690073	0	51	0.0	-72.80	394.66	8.57	-64.23
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690074	0	48	0.0	-72.79	382.41	6.13	-66.66
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690075	0	48	0.0	-76.99	375.98	8.57	-68.42
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CC(F)=C1	REAL300012690076	0	51	0.0	-67.11	409.79	11.66	-55.45
C[NH+](C)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690077	0	51	0.0	-60.15	393.19	9.38	-50.77
C[NH+](C)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690078	0	48	0.0	-77.07	373.02	9.88	-67.19
C[NH+](C)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690079	0	45	0.0	-83.54	363.29	8.89	-74.65
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690080	0	51	0.0	-74.11	417.71	9.92	-64.19
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690081	0	48	0.0	-75.80	402.10	8.76	-67.04
C[NH+](C)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690082	0	48	0.0	-70.03	380.49	9.40	-60.63
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1=CC=CC(F)=C1	REAL300012690083	0	52	0.0	-76.42	415.73	9.58	-66.84
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690084	0	48	0.0	-75.80	402.10	8.76	-67.04
C[NH+](C)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690085	0	52	0.0	-78.60	390.84	9.94	-68.66
COCCCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690086	0	51	0.0	-71.65	407.80	6.74	-64.91
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012690087	0	50	0.0	-70.44	385.33	9.65	-60.79
CCOCC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690088	0	48	0.0	-74.07	386.45	6.11	-67.96
C[NH+](C)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690089	0	53	0.0	-75.19	402.67	9.28	-65.91
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C1=CC=CC(F)=C1	REAL300012690090	0	52	0.0	-78.16	403.04	6.97	-71.19
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=CC(F)=C1	REAL300012690091	0	52	0.0	-73.90	406.99	10.09	-63.81
C[C@H]1OCCN(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012690092	0	49	0.0	-78.35	373.65	8.26	-70.09
C[NH+](C)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CC=CC(F)=C1	REAL300012690093	0	45	0.0	-73.98	373.49	7.41	-66.57
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1=CC=CC(F)=C1	REAL300012690094	0	48	0.0	-63.04	385.85	9.55	-53.49
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300012690095	0	44	0.0	-72.44	342.51	7.82	-64.62
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C1	REAL300012690096	0	52	0.0	-74.10	402.91	9.77	-64.33
COC1=CC=CC(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690097	0	54	0.0	-70.15	414.01	7.42	-62.73
C=CCOCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690098	0	53	0.0	-72.57	422.44	5.91	-66.66
C=CC(C)C(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690099	0	52	0.0	-71.32	404.78	7.17	-64.15
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+](C)C)=C1	REAL300012690100	0	56	0.0	-73.21	424.02	6.14	-67.07
COC1=CC=CC(C(CNC(=O)N2CCC(OC)CC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690101	0	56	0.0	-77.29	417.21	8.00	-69.29
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)[NH+](C)C)=C1	REAL300012690102	0	56	0.0	-70.91	419.52	5.96	-64.95
COC1=CC=CC(C(CNC(=O)N2CCC(C)CC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690103	0	55	0.0	-76.84	398.91	9.37	-67.47
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)[NH+](C)C)=C1	REAL300012690104	0	58	0.0	-74.78	454.67	9.55	-65.23
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)[NH+](C)C)=C1	REAL300012690105	0	58	0.0	-74.57	449.91	9.38	-65.19
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)[NH+](C)C)=C1	REAL300012690106	0	58	0.0	-74.59	442.10	9.16	-65.43
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C	REAL300012690107	0	51	0.0	-64.53	395.39	8.64	-55.89
COC1=CC=CC(C(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)[NH+](C)C)=C1	REAL300012690108	0	55	0.0	-67.40	407.79	8.97	-58.43
CCCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012690109	0	58	0.0	-69.46	433.28	8.25	-61.21
CCCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012690110	0	57	0.0	-68.06	421.67	9.50	-58.56
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+](C)C)=C1	REAL300012690111	0	51	0.0	-69.94	387.40	6.48	-63.46
COC1=CC=CC(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690112	0	52	0.0	-76.95	385.77	9.24	-67.71
COC1=CC=CC(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690113	0	50	0.0	-74.35	385.20	9.04	-65.31
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+](C)C)=C1	REAL300012690114	0	55	0.0	-75.47	405.59	8.27	-67.20
COC1=CC=CC(C(CNC(=O)N2CCCC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690115	0	49	0.0	-77.64	374.71	7.99	-69.65
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+](C)C)=C1	REAL300012690116	0	52	0.0	-75.80	390.38	7.15	-68.65
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)[NH+](C)C)=C1	REAL300012690117	0	58	0.0	-72.53	411.15	8.97	-63.56
COC1=CC=CC(C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690118	0	55	0.0	-71.56	434.38	9.10	-62.46
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+](C)C)=C1	REAL300012690119	0	55	0.0	-64.68	432.89	10.89	-53.79
COC1=CC=CC(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)=C1	REAL300012690120	0	52	0.0	-73.51	411.81	8.13	-65.38
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)=C1	REAL300012690121	0	52	0.0	-74.46	412.09	8.14	-66.32
CCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690122	0	48	0.0	-70.65	375.96	6.07	-64.58
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+](C)C)=C1	REAL300012690123	0	51	0.0	-69.94	387.40	6.48	-63.46
COC1=CC=CC(C(CNC(=O)N(C)CC(=O)[O-])[NH+](C)C)=C1	REAL300012690124	0	45	0.0	-69.84	352.08	6.90	-62.94
COC1=CC=CC(C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690125	0	55	0.0	-71.56	434.38	9.10	-62.46
COC1=CC=CC(C(CNC(=O)NC(C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690126	0	45	0.0	-65.10	354.13	5.05	-60.05
CCC(C)C(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690127	0	54	0.0	-72.97	405.54	7.01	-65.96
COC1=CC=CC(C(CNC(=O)N(C)CC(=O)[O-])[NH+](C)C)=C1	REAL300012690128	0	45	0.0	-69.84	352.08	6.90	-62.94
COC1=CC=CC(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690129	0	52	0.0	-76.95	385.77	9.24	-67.71
CCCC(C)(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690130	0	54	0.0	-69.10	401.59	7.21	-61.89
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+](C)C)=C1	REAL300012690131	0	51	0.0	-62.72	384.48	8.17	-54.55
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+](C)C)=C1	REAL300012690132	0	49	0.0	-59.82	376.65	8.40	-51.42
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C	REAL300012690133	0	49	0.0	-64.35	386.70	8.44	-55.91
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+](C)C)=C1	REAL300012690134	0	54	0.0	-63.99	409.80	8.94	-55.05
COC1=CC=CC(C(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690135	0	56	0.0	-78.25	424.32	11.24	-67.01
COC1=CC=CC(C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690136	0	48	0.0	-64.87	366.70	5.45	-59.42
COC1=CC=CC(C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)[NH+](C)C)=C1	REAL300012690137	0	52	0.0	-72.49	389.27	7.19	-65.30
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)[NH+](C)C)=C1	REAL300012690138	0	49	0.0	-72.35	403.12	7.26	-65.09
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+](C)C)=C1	REAL300012690139	0	55	0.0	-75.47	405.59	8.27	-67.20
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+](C)C)=C1	REAL300012690140	0	51	0.0	-62.72	384.48	8.17	-54.55
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C	REAL300012690141	0	51	0.0	-64.53	395.39	8.64	-55.89
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C	REAL300012690142	0	48	0.0	-69.51	373.89	7.89	-61.62
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690143	0	54	0.0	-70.70	406.88	7.02	-63.68
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+](C)C)=C1	REAL300012690144	0	52	0.0	-75.80	390.38	7.15	-68.65
CCC(C)(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690145	0	51	0.0	-68.82	380.10	6.45	-62.37
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)[NH+](C)C)=C1	REAL300012690146	0	56	0.0	-72.14	430.07	9.33	-62.81
COC1=CC=CC(C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)=C1	REAL300012690147	0	55	0.0	-73.36	420.08	8.95	-64.41
COC1=CC=CC(C(CNC(=O)N[C@@H](C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690148	0	45	0.0	-65.72	353.66	5.04	-60.68
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C	REAL300012690149	0	48	0.0	-69.51	373.89	7.89	-61.62
CCCCCCC(C)(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690150	0	63	0.0	-69.33	466.09	9.54	-59.79
COC1=CC=CC(C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690151	0	58	0.0	-69.73	443.45	11.11	-58.62
COC1=CC=CC(C(CNC(=O)N[C@H](C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690152	0	45	0.0	-65.67	353.80	5.04	-60.63
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC2)[NH+](C)C)=C1	REAL300012690153	0	46	0.0	-78.95	356.63	7.15	-71.80
COC1=CC=CC(C(CNC(=O)N2CCOCC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690154	0	50	0.0	-74.61	376.69	6.61	-68.00
COC1=CC=CC(C(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)[NH+](C)C)=C1	REAL300012690155	0	58	0.0	-76.60	414.58	9.61	-66.99
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+](C)C)=C1	REAL300012690156	0	49	0.0	-68.99	382.55	6.54	-62.45
COC1=CC=CC(C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])[NH+](C)C)=C1	REAL300012690157	0	58	0.0	-65.58	455.31	11.66	-53.92
COC1=CC=CC(C(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)=C1	REAL300012690158	0	55	0.0	-76.78	421.66	10.42	-66.36
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C	REAL300012690159	0	52	0.0	-65.63	405.27	7.07	-58.56
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)[NH+](C)C)=C1	REAL300012690160	0	56	0.0	-76.85	427.13	9.27	-67.58
COC1=CC=CC(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690161	0	49	0.0	-77.29	375.04	7.66	-69.63
COC1=CC=CC(C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690162	0	52	0.0	-76.22	385.98	9.02	-67.20
COC1=CC=CC(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690163	0	48	0.0	-70.10	365.59	7.05	-63.05
COC1=CC=CC(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690164	0	49	0.0	-74.36	371.69	8.94	-65.42
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCC2)[NH+](C)C)=C1	REAL300012690165	0	49	0.0	-72.71	376.59	6.78	-65.93
C=CCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690166	0	49	0.0	-70.28	389.23	6.53	-63.75
COC1=CC=CC(C(CNC(=O)N2CCCC2(C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690167	0	52	0.0	-73.37	391.47	8.52	-64.85
COC1=CC=CC(C(CNC(=O)N2CCCCCC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690168	0	55	0.0	-69.39	397.55	9.40	-59.99
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+](C)C)=C1	REAL300012690169	0	49	0.0	-68.99	382.55	6.54	-62.45
COC1=CC=CC(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690170	0	48	0.0	-67.85	366.48	7.03	-60.82
CCCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690171	0	54	0.0	-69.92	418.71	7.68	-62.24
COC1=CC=CC(C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])[NH+](C)C)=C1	REAL300012690172	0	58	0.0	-65.58	455.31	11.66	-53.92
COC1=CC=CC(C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690173	0	52	0.0	-77.72	391.85	8.53	-69.19
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+](C)C)=C1	REAL300012690174	0	55	0.0	-63.44	409.91	9.43	-54.01
COCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690175	0	49	0.0	-72.30	387.81	4.32	-67.98
CCCCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690176	0	57	0.0	-70.42	440.46	8.41	-62.01
CCC1CCC(NC(=O)NCC(C2=CC=CC(OC)=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012690177	0	61	0.0	-74.51	444.22	9.53	-64.98
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+](C)C)=C1	REAL300012690178	0	56	0.0	-64.02	418.64	7.78	-56.24
COC1=CC=CC(C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)[NH+](C)C)=C1	REAL300012690179	0	55	0.0	-77.07	401.19	8.87	-68.20
COC1=CC=CC(C(CNC(=O)N(C(C)C(=O)[O-])C2CC2)[NH+](C)C)=C1	REAL300012690180	0	52	0.0	-66.62	392.13	8.43	-58.19
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C1CC1	REAL300012690181	0	55	0.0	-66.55	412.66	9.62	-56.93
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)[NH+](C)C)=C1	REAL300012690182	0	52	0.0	-79.60	416.52	8.24	-71.36
COC1=CC=CC(C(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])[NH+](C)C)=C1	REAL300012690183	0	56	0.0	-63.24	426.83	10.58	-52.66
COC1=CC=CC(C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690184	0	61	0.0	-71.06	456.29	9.28	-61.78
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)[NH+](C)C)=C1	REAL300012690185	0	58	0.0	-64.92	444.76	11.76	-53.16
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)[NH+](C)C)=C1	REAL300012690186	0	55	0.0	-72.34	433.54	8.82	-63.52
COC1=CC=CC(C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+](C)C)=C1	REAL300012690187	0	48	0.0	-65.29	391.65	6.85	-58.44
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCSCC2)[NH+](C)C)=C1	REAL300012690188	0	53	0.0	-71.11	402.86	7.97	-63.14
COCC(C)(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690189	0	52	0.0	-73.24	398.34	5.73	-67.51
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C	REAL300012690190	0	55	0.0	-69.91	418.95	7.48	-62.43
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+](C)C)=C1	REAL300012690191	0	54	0.0	-63.99	409.80	8.94	-55.05
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+](C)C)=C1	REAL300012690192	0	49	0.0	-59.82	376.65	8.40	-51.42
COC1=CC=CC(C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[NH+](C)C)=C1	REAL300012690193	0	51	0.0	-64.80	413.52	9.02	-55.78
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCOC2)[NH+](C)C)=C1	REAL300012690194	0	50	0.0	-69.08	381.48	4.59	-64.49
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+](C)C)=C1	REAL300012690195	0	58	0.0	-71.47	429.03	8.36	-63.11
COC1=CC=CC(C(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690196	0	59	0.0	-73.51	445.75	8.82	-64.69
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCOCC2)[NH+](C)C)=C1	REAL300012690197	0	53	0.0	-71.25	396.58	5.77	-65.48
C=CCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690198	0	52	0.0	-70.25	410.27	7.40	-62.85
COC1=CC=CC(C(CNC(=O)NC(CF)C(=O)[O-])[NH+](C)C)=C1	REAL300012690199	0	45	0.0	-62.83	358.06	5.05	-57.78
COC1=CC=CC(C(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690200	0	58	0.0	-53.85	439.92	11.75	-42.10
COC1=CC=CC(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690201	0	48	0.0	-67.85	366.48	7.03	-60.82
CCC(CC)(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690202	0	54	0.0	-69.73	396.48	7.34	-62.39
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C	REAL300012690203	0	54	0.0	-63.83	404.62	9.22	-54.61
CCC(COC)(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690204	0	55	0.0	-74.26	414.78	6.65	-67.61
COC1=CC=CC(C(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690205	0	58	0.0	-70.07	438.61	8.14	-61.93
COC1=CC=CC(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690206	0	52	0.0	-69.82	407.84	7.57	-62.25
COCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690207	0	52	0.0	-70.42	409.39	5.20	-65.22
COC1=CC=CC(C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690208	0	57	0.0	-69.04	426.80	9.58	-59.46
COC1=CC=CC(C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+](C)C)=C1	REAL300012690209	0	48	0.0	-66.43	386.33	6.66	-59.77
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C	REAL300012690210	0	58	0.0	-77.84	426.53	10.26	-67.58
CCCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012690211	0	54	0.0	-54.45	404.22	9.41	-45.04
COC1=CC=CC(C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690212	0	58	0.0	-55.18	439.92	11.82	-43.36
CCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012690213	0	58	0.0	-71.84	436.89	9.82	-62.02
COC1=CC=CC(C(CNC(=O)NC(CCF)C(=O)[O-])[NH+](C)C)=C1	REAL300012690214	0	48	0.0	-69.66	382.55	6.22	-63.44
COC1=CC=CC(C(CNC(=O)NC(CC2(OC)CCC2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690215	0	59	0.0	-75.59	445.64	7.33	-68.26
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+](C)C)=C1	REAL300012690216	0	56	0.0	-64.02	418.64	7.78	-56.24
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)[NH+](C)C)=C1	REAL300012690217	0	58	0.0	-63.80	427.29	10.14	-53.66
COC1=CC=CC(C(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)[NH+](C)C)=C1	REAL300012690218	0	58	0.0	-75.67	419.40	8.66	-67.01
COC1=CC=CC(C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+](C)C)=C1	REAL300012690219	0	51	0.0	-66.30	386.68	6.59	-59.71
COC1=CC=CC(C(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])[NH+](C)C)=C1	REAL300012690220	0	53	0.0	-63.96	408.57	8.64	-55.32
COC1=CC=CC(C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690221	0	49	0.0	-69.95	384.78	8.70	-61.25
COC1=CC=CC(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690222	0	48	0.0	-67.14	366.15	7.01	-60.13
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)[NH+](C)C)=C1	REAL300012690223	0	61	0.0	-72.15	432.99	9.15	-63.00
COC1=CC=CC(C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)[NH+](C)C)=C1	REAL300012690224	0	50	0.0	-81.27	383.05	8.52	-72.75
COC1=CC=CC(C(CNC(=O)N2CC(OC)CC2(C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690225	0	56	0.0	-77.62	424.79	7.49	-70.13
COC1=CC=CC(C(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690226	0	59	0.0	-69.84	447.11	6.97	-62.87
COC1=CC=CC(C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+](C)C)=C1	REAL300012690227	0	54	0.0	-70.71	406.43	7.17	-63.54
C=C(Cl)CC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690228	0	49	0.0	-67.42	404.42	7.19	-60.23
C=C(C)CC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690229	0	52	0.0	-70.25	407.28	7.45	-62.80
COC1=CC=CC(C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)[NH+](C)C)=C1	REAL300012690230	0	53	0.0	-81.47	395.91	9.43	-72.04
COC1=CC=CC(C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690231	0	49	0.0	-72.03	388.42	7.86	-64.17
COC1=CC=CC(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690232	0	49	0.0	-72.53	381.36	8.06	-64.47
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC(OC)=C2)[NH+](C)C)C1	REAL300012690233	0	50	0.0	-77.96	388.90	8.05	-69.91
COC1=CC=CC(C(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690234	0	59	0.0	-70.36	443.21	7.55	-62.81
COC1=CC=CC(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690235	0	54	0.0	-70.15	414.01	7.42	-62.73
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+](C)C)=C1	REAL300012690236	0	56	0.0	-73.21	424.02	6.14	-67.07
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)=C1	REAL300012690237	0	52	0.0	-74.46	412.09	8.14	-66.32
COC1=CC=CC(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690238	0	52	0.0	-69.82	407.84	7.57	-62.25
COC1=CC=CC(C(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690239	0	51	0.0	-71.90	420.92	6.25	-65.65
COC1=CC=CC(C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690240	0	60	0.0	-70.42	458.02	8.92	-61.50
COC1=CC=CC(C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690241	0	56	0.0	-73.92	431.90	6.52	-67.40
COC1=CC=CC(C(CNC(=O)NC(CSC)C(=O)[O-])[NH+](C)C)=C1	REAL300012690242	0	49	0.0	-68.63	399.66	6.42	-62.21
COC[C@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690243	0	49	0.0	-71.63	387.49	4.31	-67.32
CC[C@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690244	0	48	0.0	-69.93	375.64	6.06	-63.87
CCC(C)CC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690245	0	57	0.0	-70.39	432.38	8.13	-62.26
C=CCCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690246	0	55	0.0	-70.49	431.77	8.18	-62.31
COC1=CC=CC(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690247	0	50	0.0	-74.35	385.20	9.04	-65.31
COC1=CC=CC(C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)=C1	REAL300012690248	0	55	0.0	-73.36	420.08	8.95	-64.41
COC1=CC=CC(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690249	0	49	0.0	-77.29	375.04	7.66	-69.63
CCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690250	0	51	0.0	-70.03	397.22	6.90	-63.13
COC1=CC=CC(C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+](C)C)=C1	REAL300012690251	0	51	0.0	-72.81	387.74	6.39	-66.42
COC1=CC=CC(C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])[NH+](C)C)=C1	REAL300012690252	0	53	0.0	-79.47	396.52	9.52	-69.95
CCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012690253	0	54	0.0	-71.10	400.92	8.83	-62.27
CCCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012690254	0	54	0.0	-54.45	404.22	9.41	-45.04
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+](C)C)=C1	REAL300012690255	0	48	0.0	-67.04	388.38	8.39	-58.65
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+](C)C)=C1	REAL300012690256	0	48	0.0	-67.04	388.38	8.39	-58.65
COC1=CC=CC(C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690257	0	51	0.0	-71.59	381.36	8.00	-63.59
COC1=CC=CC(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690258	0	49	0.0	-74.36	371.69	8.94	-65.42
COC1=CC=CC(C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690259	0	50	0.0	-75.77	386.31	4.27	-71.50
COC1=CC=CC(C(CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690260	0	56	0.0	-76.16	425.82	11.62	-64.54
CCC[C@@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690261	0	51	0.0	-72.58	397.14	6.82	-65.76
COC1=CC=CC(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)=C1	REAL300012690262	0	52	0.0	-73.51	411.81	8.13	-65.38
C=CCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690263	0	52	0.0	-70.25	410.27	7.40	-62.85
COC1=CC=CC(C(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690264	0	51	0.0	-72.98	420.91	6.08	-66.90
COC1=CC=CC(C(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690265	0	52	0.0	-82.90	404.68	5.58	-77.32
COC1=CC=CC(C(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690266	0	53	0.0	-70.27	402.83	7.24	-63.03
COC1=CC=CC(C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690267	0	52	0.0	-74.22	391.82	8.53	-65.69
COC1=CC=CC(C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+](C)C)=C1	REAL300012690268	0	51	0.0	-68.69	386.76	6.37	-62.32
COC1=CC=CC(C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)=C1	REAL300012690269	0	52	0.0	-71.49	411.76	8.13	-63.36
COC1=CC=CC(C(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690270	0	55	0.0	-72.21	426.17	7.54	-64.67
COC1=CC=CC(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690271	0	48	0.0	-67.14	366.15	7.01	-60.13
CCC[C@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690272	0	51	0.0	-69.06	396.32	6.86	-62.20
CCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012690273	0	51	0.0	-67.69	383.16	7.81	-59.88
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+](C)C)=C1	REAL300012690274	0	55	0.0	-63.44	409.91	9.43	-54.01
COC1=CC=CC(C(CNC(=O)N(C)CC(C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690275	0	51	0.0	-73.30	386.30	7.54	-65.76
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690276	0	54	0.0	-70.70	406.88	7.02	-63.68
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C	REAL300012690277	0	51	0.0	-67.61	386.61	8.08	-59.53
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)[NH+](C)C)=C1	REAL300012690278	0	53	0.0	-80.51	407.63	3.96	-76.55
COC1=CC=CC(C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[NH+](C)C)=C1	REAL300012690279	0	61	0.0	-72.04	459.01	7.42	-64.62
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)[NH+](C)C)=C1	REAL300012690280	0	55	0.0	-75.54	412.15	7.80	-67.74
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)[NH+](C)C)=C1	REAL300012690281	0	58	0.0	-75.54	421.49	8.54	-67.00
COCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690282	0	52	0.0	-70.42	409.39	5.20	-65.22
COC1=CC=CC(C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690283	0	58	0.0	-69.73	443.45	11.11	-58.62
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)[NH+](C)C)=C1	REAL300012690284	0	55	0.0	-76.47	413.67	8.48	-67.99
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)[NH+](C)C)=C1	REAL300012690285	0	52	0.0	-70.95	404.63	7.22	-63.73
COC1=CC=CC(C(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[NH+](C)C)=C1	REAL300012690286	0	61	0.0	-74.56	459.57	7.41	-67.15
COC1=CC=CC(C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690287	0	50	0.0	-86.90	382.39	5.42	-81.48
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CCOC2)[NH+](C)C)=C1	REAL300012690288	0	53	0.0	-73.00	402.41	5.10	-67.90
COC1=CC=CC(C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])[NH+](C)C)=C1	REAL300012690289	0	53	0.0	-85.73	393.15	10.02	-75.71
COC1=CC=CC(C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)[NH+](C)C)=C1	REAL300012690290	0	51	0.0	-75.41	388.79	6.84	-68.57
COC1=CC=CC(C(CNC(=O)N2CC(C)CCC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690291	0	55	0.0	-77.22	406.49	9.84	-67.38
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)[NH+](C)C)=C1	REAL300012690292	0	58	0.0	-71.79	451.10	9.50	-62.29
COC1=CC=CC(C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690293	0	59	0.0	-70.08	444.19	9.88	-60.20
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+](C)C)=C1	REAL300012690294	0	52	0.0	-71.37	402.73	7.12	-64.25
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+](C)C)=C1	REAL300012690295	0	58	0.0	-71.47	429.03	8.36	-63.11
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+](C)C)=C1	REAL300012690296	0	52	0.0	-71.37	402.73	7.12	-64.25
COC1=CC=CC(C(CNC(=O)N2CCC(C)C2C(=O)[O-])[NH+](C)C)=C1	REAL300012690297	0	52	0.0	-74.87	395.76	8.26	-66.61
C=CCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690298	0	49	0.0	-70.28	389.23	6.53	-63.75
COC1=CC=CC(C(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690299	0	59	0.0	-69.13	447.95	7.87	-61.26
COC1=CC=CC(C(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)[NH+](C)C)=C1	REAL300012690300	0	59	0.0	-56.55	422.42	9.70	-46.85
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)[NH+](C)C)=C1	REAL300012690301	0	59	0.0	-71.80	425.71	7.10	-64.70
COC1=CC=CC(C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690302	0	53	0.0	-60.18	397.19	8.96	-51.22
COC1=CC=CC(C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690303	0	59	0.0	-70.08	444.19	9.88	-60.20
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC(OC)C2)[NH+](C)C)=C1	REAL300012690304	0	53	0.0	-75.76	410.45	5.75	-70.01
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)[NH+](C)C)=C1	REAL300012690305	0	49	0.0	-73.49	385.19	6.80	-66.69
COC1=CC=CC(C(CNC(=O)N[C@@]2(C(=O)[O-])C[C@@H](OC)C2)[NH+](C)C)=C1	REAL300012690306	0	53	0.0	-69.86	408.54	5.66	-64.20
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C	REAL300012690307	0	55	0.0	-77.55	405.23	9.54	-68.01
COC1=CC=CC(C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+](C)C)=C1	REAL300012690308	0	48	0.0	-65.29	391.65	6.85	-58.44
COC1=CC=CC(C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690309	0	56	0.0	-71.95	421.87	6.66	-65.29
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])COC2)[NH+](C)C)=C1	REAL300012690310	0	47	0.0	-67.77	367.74	3.79	-63.98
COC1=CC=CC(C(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690311	0	52	0.0	-73.52	425.42	8.16	-65.36
COC1=CC=CC(C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+](C)C)=C1	REAL300012690312	0	54	0.0	-69.78	396.83	7.14	-62.64
COC1=CC=CC(C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690313	0	50	0.0	-77.87	382.17	9.13	-68.74
COC1=CC=CC(C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690314	0	53	0.0	-78.46	397.52	8.72	-69.74
COC1=CC=CC(C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690315	0	58	0.0	-55.18	439.92	11.82	-43.36
COC1=CC=CC(C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690316	0	61	0.0	-71.06	456.29	9.28	-61.78
COC1=CC=CC(C(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690317	0	58	0.0	-70.88	457.04	9.86	-61.02
COC1=CC=CC(C(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690318	0	58	0.0	-73.12	456.80	9.91	-63.21
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)[NH+](C)C)=C1	REAL300012690319	0	59	0.0	-73.50	436.08	8.73	-64.77
COC1=CC=CC(C(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690320	0	61	0.0	-73.30	455.96	9.26	-64.04
COC1=CC=CC(C(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690321	0	61	0.0	-69.87	455.72	9.33	-60.54
COC1=CC=CC(C(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690322	0	59	0.0	-59.05	436.68	9.94	-49.11
COC1=CC=CC(C(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690323	0	59	0.0	-79.31	433.21	9.66	-69.65
C=CCSCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690324	0	53	0.0	-68.01	433.69	7.95	-60.06
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C	REAL300012690325	0	54	0.0	-68.20	400.17	8.77	-59.43
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2(OC)CCC2)[NH+](C)C)=C1	REAL300012690326	0	56	0.0	-67.94	423.01	5.76	-62.18
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)[NH+](C)C)=C1	REAL300012690327	0	52	0.0	-71.76	411.04	7.68	-64.08
COC1=CC=CC(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690329	0	49	0.0	-72.53	381.36	8.06	-64.47
COC1=CC=CC(C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])[NH+](C)C)=C1	REAL300012690330	0	51	0.0	-60.03	390.74	8.80	-51.23
COC1=CC=CC(C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])[NH+](C)C)=C1	REAL300012690331	0	55	0.0	-78.14	407.03	8.95	-69.19
COC1=CC=CC(C(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690332	0	59	0.0	-75.93	431.50	10.68	-65.25
COC1=CC=CC(C(CNC(=O)NC(CCC(C)C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690333	0	57	0.0	-70.63	436.52	8.14	-62.49
COC1=CC=CC(C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690334	0	56	0.0	-58.16	422.10	9.40	-48.76
COC1=CC=CC(C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690335	0	56	0.0	-71.95	421.87	6.66	-65.29
COC1=CC=CC(C(CNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690336	0	53	0.0	-74.12	414.36	10.04	-64.08
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)[NH+](C)C)=C1	REAL300012690337	0	56	0.0	-77.52	411.32	8.92	-68.60
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)[NH+](C)C)=C1	REAL300012690338	0	53	0.0	-80.54	395.39	8.98	-71.56
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)[NH+](C)C)=C1	REAL300012690339	0	56	0.0	-74.66	419.83	8.39	-66.27
COC1=CC=CC(C(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690340	0	58	0.0	-73.41	444.57	11.12	-62.29
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CCCC2)[NH+](C)C)=C1	REAL300012690341	0	55	0.0	-70.97	417.74	7.80	-63.17
COC1=CC=CC(C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)[NH+](C)C)=C1	REAL300012690342	0	52	0.0	-71.27	405.64	5.30	-65.97
COC1=CC=CC(C(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)[NH+](C)C)=C1	REAL300012690343	0	52	0.0	-74.33	398.51	7.79	-66.54
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+](C)C)=C1	REAL300012690344	0	55	0.0	-64.68	432.89	10.89	-53.79
COC1=CC=CC(C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690345	0	55	0.0	-59.05	416.28	8.61	-50.44
COC1=CC=CC(C(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])[NH+](C)C)=C1	REAL300012690346	0	52	0.0	-75.04	396.11	9.11	-65.93
COC1=CC=CC(C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])[NH+](C)C)=C1	REAL300012690347	0	49	0.0	-81.42	386.38	8.12	-73.30
COC1=CC=CC(C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690348	0	52	0.0	-73.74	425.20	7.99	-65.75
COC1=CC=CC(C(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690349	0	52	0.0	-67.81	403.57	8.63	-59.18
COC1=CC=CC(C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])[NH+](C)C)=C1	REAL300012690350	0	52	0.0	-73.74	425.20	7.99	-65.75
COC1=CC=CC(C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690351	0	56	0.0	-76.81	413.93	9.17	-67.64
COCCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690352	0	55	0.0	-70.21	431.13	5.91	-64.30
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C	REAL300012690353	0	54	0.0	-68.30	408.93	8.98	-59.32
CCOCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300012690354	0	52	0.0	-72.58	409.67	5.29	-67.29
COC1=CC=CC(C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690355	0	57	0.0	-73.17	425.75	8.52	-64.65
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CCCCO2)[NH+](C)C)=C1	REAL300012690356	0	56	0.0	-76.17	426.12	6.20	-69.97
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)[NH+](C)C)=C1	REAL300012690357	0	56	0.0	-72.14	430.07	9.33	-62.81
COC1=CC=CC(C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])[NH+](C)C)=C1	REAL300012690358	0	53	0.0	-76.44	396.78	7.59	-68.85
COC1=CC=CC(C(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+](C)C)=C1	REAL300012690359	0	49	0.0	-71.65	396.56	6.64	-65.01
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)[NH+](C)C)=C1	REAL300012690360	0	52	0.0	-61.32	408.95	8.78	-52.54
COC1=CC=CC(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+](C)C)=C1	REAL300012690361	0	48	0.0	-70.10	365.59	7.05	-63.05
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC(OC)=C2)[NH+](C)C)C1	REAL300012690362	0	56	0.0	-72.46	426.01	9.00	-63.46
CCC1=CC=C(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690363	0	56	0.0	-68.02	427.16	9.62	-58.40
C=CCOCC(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690364	0	55	0.0	-73.17	435.50	8.00	-65.17
C=CC(C)C(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690365	0	54	0.0	-69.50	414.46	9.08	-60.42
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012690366	0	58	0.0	-67.94	437.10	8.28	-59.66
CCC1=CC=C(C(CNC(=O)N2CCC(OC)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690367	0	58	0.0	-78.63	429.80	10.31	-68.32
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)[NH+](C)C)C=C1	REAL300012690368	0	58	0.0	-70.01	432.90	8.10	-61.91
CCC1=CC=C(C(CNC(=O)N2CCC(C)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690369	0	57	0.0	-81.71	416.80	13.03	-68.68
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)[NH+](C)C)C=C1	REAL300012690370	0	60	0.0	-70.16	467.74	11.68	-58.48
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)[NH+](C)C)C=C1	REAL300012690371	0	60	0.0	-68.02	459.66	12.40	-55.62
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)[NH+](C)C)C=C1	REAL300012690372	0	60	0.0	-67.12	450.91	12.19	-54.93
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C	REAL300012690373	0	53	0.0	-61.24	408.32	10.77	-50.47
CCC1=CC=C(C(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)[NH+](C)C)C=C1	REAL300012690374	0	57	0.0	-56.98	418.76	12.13	-44.85
CCCN(C(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012690375	0	60	0.0	-70.27	451.53	11.74	-58.53
CCCN(C(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012690376	0	59	0.0	-68.75	437.10	12.39	-56.36
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012690377	0	53	0.0	-67.42	404.01	8.81	-58.61
CCC1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690378	0	54	0.0	-77.34	399.34	11.41	-65.93
CCC1=CC=C(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690379	0	52	0.0	-74.74	399.43	11.29	-63.45
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+](C)C)C=C1	REAL300012690380	0	57	0.0	-70.63	415.18	11.32	-59.31
CCC1=CC=C(C(CNC(=O)N2CCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690381	0	51	0.0	-73.35	385.11	11.11	-62.24
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300012690382	0	54	0.0	-75.14	403.77	9.29	-65.85
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)[NH+](C)C)C=C1	REAL300012690383	0	60	0.0	-71.70	420.84	11.98	-59.72
CCC1=CC=C(C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690384	0	57	0.0	-69.00	447.08	11.28	-57.72
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012690385	0	57	0.0	-43.50	443.29	14.00	-29.50
CCC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012690386	0	54	0.0	-72.10	424.98	10.36	-61.74
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012690387	0	54	0.0	-72.55	425.19	10.28	-62.27
CCC1=CC=C(C(CNC(=O)NC(CC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690388	0	50	0.0	-70.83	388.06	8.22	-62.61
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012690389	0	53	0.0	-67.42	404.01	8.81	-58.61
CCC1=CC=C(C(CNC(=O)N(C)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012690390	0	47	0.0	-67.78	365.01	9.03	-58.75
CCC1=CC=C(C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690391	0	57	0.0	-69.00	447.08	11.28	-57.72
CCC1=CC=C(C(CNC(=O)NC(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690392	0	47	0.0	-62.94	367.37	7.15	-55.79
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)CC)[NH+](C)C)C=C1	REAL300012690393	0	56	0.0	-67.85	422.00	9.45	-58.40
CCC1=CC=C(C(CNC(=O)N(C)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012690394	0	47	0.0	-67.78	365.01	9.03	-58.75
CCC1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690395	0	54	0.0	-77.34	399.34	11.41	-65.93
CCCC(C)(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690396	0	56	0.0	-67.00	414.52	9.33	-57.67
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012690397	0	53	0.0	-62.22	397.22	10.32	-51.90
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012690398	0	51	0.0	-55.04	391.35	10.57	-44.47
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C	REAL300012690399	0	51	0.0	-61.13	399.64	10.58	-50.55
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+](C)C)C=C1	REAL300012690400	0	56	0.0	-60.84	422.73	11.08	-49.76
CCC1=CC=C(C(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690401	0	58	0.0	-77.54	436.49	13.30	-64.24
CCC1=CC=C(C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690402	0	50	0.0	-62.19	379.64	7.58	-54.61
CCC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012690403	0	54	0.0	-71.84	402.67	9.33	-62.51
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)[NH+](C)C)C=C1	REAL300012690404	0	51	0.0	-70.85	416.83	9.37	-61.48
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+](C)C)C=C1	REAL300012690405	0	57	0.0	-70.63	415.18	11.32	-59.31
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012690406	0	53	0.0	-62.22	397.22	10.32	-51.90
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C	REAL300012690407	0	53	0.0	-61.24	408.32	10.77	-50.47
CCC1=CC=C(C(CNC(=O)N(CC)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012690408	0	50	0.0	-67.72	386.82	10.01	-57.71
CCC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)[NH+](C)C)C=C1	REAL300012690409	0	56	0.0	-69.14	420.27	9.16	-59.98
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300012690410	0	54	0.0	-75.14	403.77	9.29	-65.85
CCC1=CC=C(C(CNC(=O)NC(C)(CC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690411	0	53	0.0	-66.74	393.03	8.57	-58.17
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)[NH+](C)C)C=C1	REAL300012690412	0	58	0.0	-70.86	443.47	11.47	-59.39
CCC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012690413	0	57	0.0	-68.75	430.18	12.01	-56.74
CCC1=CC=C(C(CNC(=O)N[C@@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690414	0	47	0.0	-60.66	363.67	8.11	-52.55
CCC1=CC=C(C(CNC(=O)N(CC)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012690415	0	50	0.0	-67.72	386.82	10.01	-57.71
CCCCCCC(C)(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690416	0	65	0.0	-70.35	479.02	11.67	-58.68
CCC1=CC=C(C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690417	0	60	0.0	-67.66	455.89	13.14	-54.52
CCC1=CC=C(C(CNC(=O)N[C@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690418	0	47	0.0	-63.79	367.20	7.18	-56.61
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300012690419	0	48	0.0	-75.41	373.68	8.41	-67.00
CCC1=CC=C(C(CNC(=O)N2CCOCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690420	0	52	0.0	-74.39	390.37	8.72	-65.67
CCC1=CC=C(C(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)[NH+](C)C)C=C1	REAL300012690421	0	60	0.0	-76.13	427.98	11.74	-64.39
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012690422	0	51	0.0	-67.18	396.07	9.73	-57.45
CCC1=CC=C(C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012690423	0	60	0.0	-62.41	468.23	13.80	-48.61
CCC1=CC=C(C(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012690424	0	57	0.0	-71.97	436.12	12.14	-59.83
CCC1=CC=C(C(CNC(=O)N(CCOC)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012690425	0	54	0.0	-62.27	418.20	9.20	-53.07
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)[NH+](C)C)C=C1	REAL300012690426	0	58	0.0	-72.41	440.21	11.39	-61.02
CCC1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690427	0	51	0.0	-74.40	388.87	9.81	-64.59
CCC1=CC=C(C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690428	0	54	0.0	-77.85	399.10	11.19	-66.66
CCC1=CC=C(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690429	0	50	0.0	-68.91	378.99	9.19	-59.72
CCC1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690430	0	51	0.0	-73.87	388.27	10.12	-63.75
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC2)[NH+](C)C)C=C1	REAL300012690431	0	51	0.0	-75.31	390.60	8.91	-66.40
C=CCC(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690432	0	51	0.0	-71.01	402.20	8.66	-62.35
CCC1=CC=C(C(CNC(=O)N2CCCC2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690433	0	54	0.0	-79.19	401.50	11.56	-67.63
CCC1=CC=C(C(CNC(=O)N2CCCCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690434	0	57	0.0	-76.46	412.51	11.70	-64.76
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012690435	0	51	0.0	-67.18	396.07	9.73	-57.45
CCC1=CC=C(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690436	0	50	0.0	-65.48	379.92	9.27	-56.21
CCCCC(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690437	0	56	0.0	-71.52	431.88	9.76	-61.76
CCC1=CC=C(C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012690438	0	60	0.0	-62.41	468.23	13.80	-48.61
CCC1=CC=C(C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690439	0	54	0.0	-73.56	405.32	10.67	-62.89
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+](C)C)C=C1	REAL300012690440	0	57	0.0	-61.09	423.31	11.58	-49.51
CCC1=CC=C(C(CNC(=O)NC(COC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690441	0	51	0.0	-73.22	400.75	6.45	-66.77
CCCCCC(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690442	0	59	0.0	-70.73	452.55	10.55	-60.18
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC(CC)CC2)[NH+](C)C)C=C1	REAL300012690443	0	63	0.0	-74.16	457.51	11.67	-62.49
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012690444	0	58	0.0	-61.30	431.84	9.91	-51.39
CCC1=CC=C(C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300012690445	0	57	0.0	-79.61	410.47	11.84	-67.77
CCC1=CC=C(C(CNC(=O)N(C(C)C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012690446	0	54	0.0	-59.72	405.35	10.63	-49.09
CCC1=CC=C(C(CNC(=O)N(C(CC)C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012690447	0	57	0.0	-63.66	426.79	11.91	-51.75
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)[NH+](C)C)C=C1	REAL300012690448	0	54	0.0	-78.03	429.89	10.42	-67.61
CCC1=CC=C(C(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690449	0	58	0.0	-64.28	439.98	12.74	-51.54
CCC1=CC=C(C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690450	0	63	0.0	-72.39	469.36	11.40	-60.99
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012690451	0	60	0.0	-60.97	458.15	13.72	-47.25
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)[NH+](C)C)C=C1	REAL300012690452	0	57	0.0	-69.94	446.60	10.95	-58.99
CCC1=CC=C(C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690453	0	50	0.0	-65.78	404.82	8.90	-56.88
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCSCC2)[NH+](C)C)C=C1	REAL300012690454	0	55	0.0	-68.15	416.56	10.12	-58.03
CCC1=CC=C(C(CNC(=O)NC(C)(COC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690455	0	54	0.0	-71.19	411.27	7.87	-63.32
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C	REAL300012690456	0	57	0.0	-70.04	431.70	9.69	-60.35
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+](C)C)C=C1	REAL300012690457	0	56	0.0	-60.84	422.73	11.08	-49.76
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012690458	0	51	0.0	-55.04	391.35	10.57	-44.47
CCC1=CC=C(C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012690459	0	53	0.0	-61.75	426.45	11.15	-50.60
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOC2)[NH+](C)C)C=C1	REAL300012690460	0	52	0.0	-67.96	394.88	6.73	-61.23
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+](C)C)C=C1	REAL300012690461	0	60	0.0	-70.28	442.62	10.41	-59.87
CCC1=CC=C(C(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690462	0	61	0.0	-71.29	457.82	10.95	-60.34
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOCC2)[NH+](C)C)C=C1	REAL300012690463	0	55	0.0	-71.08	410.29	7.93	-63.15
C=CCCC(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690464	0	54	0.0	-71.22	423.19	9.54	-61.68
CCC1=CC=C(C(CNC(=O)NC(CF)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690465	0	47	0.0	-60.47	370.51	7.22	-53.25
CCC1=CC=C(C(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690466	0	60	0.0	-54.89	453.45	13.98	-40.91
CCC1=CC=C(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690467	0	50	0.0	-65.48	379.92	9.27	-56.21
CCC1=CC=C(C(CNC(=O)NC(CC)(CC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690468	0	56	0.0	-67.78	409.41	9.47	-58.31
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)[NH+](C)C)C=C1	REAL300012690469	0	58	0.0	-72.35	454.52	9.57	-62.78
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C(C)CC)[NH+](C)C)C=C1	REAL300012690470	0	56	0.0	-60.68	417.54	11.35	-49.33
CCC1=CC=C(C(CNC(=O)NC(CC)(COC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690471	0	57	0.0	-75.76	427.95	8.77	-66.99
CCC1=CC=C(C(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690472	0	60	0.0	-70.15	451.46	10.34	-59.81
CCC1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690473	0	54	0.0	-65.78	416.48	10.66	-55.12
CCC1=CC=C(C(CNC(=O)NC(CCOC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690474	0	54	0.0	-72.09	422.56	7.27	-64.82
CCC1=CC=C(C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690475	0	59	0.0	-70.04	437.17	11.54	-58.50
CCC1=CC=C(C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690476	0	50	0.0	-67.23	399.51	8.74	-58.49
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C	REAL300012690477	0	60	0.0	-78.70	438.71	12.49	-66.21
CCCN(C(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012690478	0	56	0.0	-54.02	419.51	11.62	-42.40
CCC1=CC=C(C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690479	0	60	0.0	-48.78	455.52	13.86	-34.92
CCC1=CC=C(C(CNC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012690480	0	60	0.0	-69.75	449.86	11.93	-57.82
CCC1=CC=C(C(CNC(=O)NC(CCF)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690481	0	50	0.0	-70.18	394.65	8.37	-61.81
CCC1=CC=C(C(CNC(=O)NC(CC2(OC)CCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690482	0	61	0.0	-70.34	458.60	9.65	-60.69
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012690483	0	58	0.0	-61.30	431.84	9.91	-51.39
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)[NH+](C)C)C=C1	REAL300012690484	0	60	0.0	-61.42	440.69	12.28	-49.14
CCC1=CC=C(C(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)[NH+](C)C)C=C1	REAL300012690485	0	60	0.0	-74.42	432.24	10.79	-63.63
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)[NH+](C)C)C=C1	REAL300012690486	0	58	0.0	-70.17	450.74	10.49	-59.68
CCC1=CC=C(C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690487	0	53	0.0	-67.37	399.62	8.72	-58.65
CCC1=CC=C(C(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690488	0	55	0.0	-61.39	421.72	10.79	-50.60
CCC1=CC=C(C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690489	0	51	0.0	-69.05	401.85	10.00	-59.05
CCC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)[NH+](C)C)C=C1	REAL300012690490	0	58	0.0	-71.43	454.08	9.59	-61.84
CCC1=CC=C(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690491	0	50	0.0	-65.48	379.55	9.15	-56.33
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)[NH+](C)C)C=C1	REAL300012690492	0	63	0.0	-71.16	446.23	11.31	-59.85
CCC1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)[NH+](C)C)C=C1	REAL300012690493	0	52	0.0	-79.73	395.09	10.75	-68.98
CCC1=CC=C(C(CNC(=O)N2CC(OC)CC2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690494	0	58	0.0	-71.59	434.34	10.59	-61.00
CCC1=CC=C(C(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690495	0	61	0.0	-67.31	455.96	9.79	-57.52
CCC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+](C)C)C=C1	REAL300012690496	0	56	0.0	-68.39	419.16	9.39	-59.00
C=C(Cl)CC(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690497	0	51	0.0	-71.28	417.32	9.28	-62.00
C=C(C)CC(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690498	0	54	0.0	-71.53	422.74	9.40	-62.13
CCC1=CC=C(C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)[NH+](C)C)C=C1	REAL300012690499	0	55	0.0	-82.37	410.20	11.57	-70.80
CCC1=CC=C(C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690500	0	51	0.0	-67.90	401.50	9.98	-57.92
CCC1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690501	0	51	0.0	-70.68	394.28	10.20	-60.48
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(CC)C=C2)[NH+](C)C)C1	REAL300012690502	0	52	0.0	-79.18	398.63	11.07	-68.11
CCC1=CC=C(C(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690503	0	61	0.0	-69.68	460.50	9.02	-60.66
CCC1=CC=C(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690504	0	56	0.0	-68.02	427.16	9.62	-58.40
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012690505	0	58	0.0	-67.94	437.10	8.28	-59.66
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012690506	0	54	0.0	-72.55	425.19	10.28	-62.27
CCC1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690507	0	54	0.0	-65.78	416.48	10.66	-55.12
CCC1=CC=C(C(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690508	0	53	0.0	-69.95	433.86	8.39	-61.56
CCC1=CC=C(C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690509	0	62	0.0	-71.50	470.96	11.04	-60.46
CCC1=CC=C(C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690510	0	58	0.0	-75.03	444.98	8.65	-66.38
CCC1=CC=C(C(CNC(=O)NC(CSC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690511	0	51	0.0	-67.83	411.68	8.65	-59.18
CCC1=CC=C(C(CNC(=O)N[C@@H](COC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690512	0	51	0.0	-69.53	400.76	6.49	-63.04
CCC1=CC=C(C(CNC(=O)N[C@@H](CC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690513	0	50	0.0	-65.95	385.49	9.20	-56.75
CCC1=CC=C(C(CNC(=O)NC(CC(C)CC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690514	0	59	0.0	-71.19	444.99	10.17	-61.02
C=CCCCC(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690515	0	57	0.0	-70.32	443.86	10.32	-60.00
CCC1=CC=C(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690516	0	52	0.0	-74.74	399.43	11.29	-63.45
CCC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012690517	0	57	0.0	-68.75	430.18	12.01	-56.74
CCC1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690518	0	51	0.0	-74.40	388.87	9.81	-64.59
CCCC(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690519	0	53	0.0	-70.84	409.55	8.98	-61.86
CCC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012690520	0	53	0.0	-71.13	400.48	8.61	-62.52
CCC1=CC=C(C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])[NH+](C)C)C=C1	REAL300012690521	0	55	0.0	-79.29	408.93	11.72	-67.57
CCC1=CC=C(C(CNC(=O)N(CC)C(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690522	0	56	0.0	-69.44	413.43	10.98	-58.46
CCCN(C(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012690523	0	56	0.0	-54.02	419.51	11.62	-42.40
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+](C)C)C=C1	REAL300012690524	0	50	0.0	-65.00	401.40	10.52	-54.48
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+](C)C)C=C1	REAL300012690525	0	50	0.0	-65.00	401.40	10.52	-54.48
CCC1=CC=C(C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690526	0	53	0.0	-69.74	394.40	10.11	-59.63
CCC1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690527	0	51	0.0	-73.87	388.27	10.12	-63.75
CCC1=CC=C(C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690528	0	52	0.0	-76.28	400.22	6.42	-69.86
CCC1=CC=C(C(CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690529	0	58	0.0	-78.93	438.30	13.03	-65.90
CCC[C@@H](NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690530	0	53	0.0	-71.62	410.53	8.97	-62.65
CCC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012690531	0	54	0.0	-72.10	424.98	10.36	-61.74
CCC1=CC=C(C(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690532	0	59	0.0	-69.90	464.93	10.29	-59.61
C=CCCC(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690533	0	54	0.0	-71.22	423.19	9.54	-61.68
CCC1=CC=C(C(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690534	0	53	0.0	-71.02	433.84	8.22	-62.80
CCC1=CC=C(C(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690535	0	54	0.0	-83.66	418.07	7.73	-75.93
CCC1=CC=C(C(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690536	0	55	0.0	-69.00	414.69	9.09	-59.91
CCC1=CC=C(C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690537	0	54	0.0	-76.43	404.89	10.66	-65.77
CCC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012690538	0	53	0.0	-67.12	399.01	9.51	-57.61
CCC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012690539	0	54	0.0	-71.78	421.79	11.17	-60.61
CCC1=CC=C(C(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690540	0	57	0.0	-73.15	434.64	9.63	-63.52
CCC1=CC=C(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690541	0	50	0.0	-65.48	379.55	9.15	-56.33
CCC[C@H](NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690542	0	53	0.0	-67.70	410.29	9.03	-58.67
CCC1=CC=C(C(CNC(=O)N(CC)C(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690543	0	53	0.0	-65.62	396.59	10.05	-55.57
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+](C)C)C=C1	REAL300012690544	0	57	0.0	-61.09	423.31	11.58	-49.51
CCC1=CC=C(C(CNC(=O)N(C)CC(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690545	0	53	0.0	-71.74	399.25	9.68	-62.06
CCC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)[NH+](C)C)C=C1	REAL300012690546	0	56	0.0	-69.14	420.27	9.16	-59.98
CCC1=CC=C(C(CNC(=O)N(C)[C@@H](CC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690547	0	53	0.0	-65.85	400.51	10.33	-55.52
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)[NH+](C)C)C=C1	REAL300012690548	0	55	0.0	-79.97	421.02	6.11	-73.86
CCC1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[NH+](C)C)C=C1	REAL300012690549	0	63	0.0	-70.94	472.25	9.55	-61.39
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)[NH+](C)C)C=C1	REAL300012690550	0	57	0.0	-71.71	425.43	9.96	-61.75
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)[NH+](C)C)C=C1	REAL300012690551	0	60	0.0	-74.81	432.97	10.56	-64.25
CCC1=CC=C(C(CNC(=O)NC(CCOC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690552	0	54	0.0	-72.09	422.56	7.27	-64.82
CCC1=CC=C(C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690553	0	60	0.0	-67.66	455.89	13.14	-54.52
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)[NH+](C)C)C=C1	REAL300012690554	0	57	0.0	-76.03	426.68	10.63	-65.40
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)[NH+](C)C)C=C1	REAL300012690555	0	54	0.0	-73.20	410.49	9.55	-63.65
CCC1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[NH+](C)C)C=C1	REAL300012690556	0	63	0.0	-73.76	472.47	9.53	-64.23
CCC1=CC=C(C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690557	0	52	0.0	-80.64	400.09	6.59	-74.05
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOC2)[NH+](C)C)C=C1	REAL300012690558	0	55	0.0	-72.92	416.14	7.18	-65.74
CCC1=CC=C(C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])[NH+](C)C)C=C1	REAL300012690559	0	55	0.0	-76.73	409.51	11.25	-65.48
CCC1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)[NH+](C)C)C=C1	REAL300012690560	0	53	0.0	-74.96	402.50	8.96	-66.00
CCC1=CC=C(C(CNC(=O)N2CC(C)CCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690561	0	57	0.0	-76.78	420.01	12.01	-64.77
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012690562	0	60	0.0	-68.22	462.49	11.63	-56.59
CCC1=CC=C(C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690563	0	61	0.0	-68.54	461.75	11.35	-57.19
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+](C)C)C=C1	REAL300012690564	0	54	0.0	-72.49	409.17	9.09	-63.40
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+](C)C)C=C1	REAL300012690565	0	60	0.0	-70.28	442.62	10.41	-59.87
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+](C)C)C=C1	REAL300012690566	0	54	0.0	-72.49	409.17	9.09	-63.40
CCC1=CC=C(C(CNC(=O)N2CCC(C)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690567	0	54	0.0	-78.71	409.48	10.43	-68.28
C=CCC(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690568	0	51	0.0	-71.01	402.20	8.66	-62.35
CCC1=CC=C(C(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690569	0	61	0.0	-70.67	461.03	10.00	-60.67
CCC1=CC=C(C(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)[NH+](C)C)C=C1	REAL300012690570	0	61	0.0	-51.31	435.12	11.96	-39.35
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)[NH+](C)C)C=C1	REAL300012690571	0	61	0.0	-70.71	439.11	9.25	-61.46
CCC1=CC=C(C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690572	0	55	0.0	-53.38	411.47	11.19	-42.19
CCC1=CC=C(C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690573	0	61	0.0	-68.54	461.75	11.35	-57.19
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(OC)C2)[NH+](C)C)C=C1	REAL300012690574	0	55	0.0	-71.29	422.09	7.80	-63.49
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)[NH+](C)C)C=C1	REAL300012690575	0	51	0.0	-73.18	398.47	8.95	-64.23
CCC1=CC=C(C(CNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)[NH+](C)C)C=C1	REAL300012690576	0	55	0.0	-71.33	422.34	7.78	-63.55
CCC1=CC=C(C(CNC(=O)N2CCCC2(CC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690577	0	57	0.0	-75.97	418.07	11.92	-64.05
CCC1=CC=C(C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690578	0	50	0.0	-65.78	404.82	8.90	-56.88
CCC1=CC=C(C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690579	0	58	0.0	-68.88	438.49	7.96	-60.92
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])COC2)[NH+](C)C)C=C1	REAL300012690580	0	49	0.0	-68.74	380.87	5.96	-62.78
CCC1=CC=C(C(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690581	0	54	0.0	-71.87	438.36	10.29	-61.58
CCC1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300012690582	0	56	0.0	-67.68	409.76	9.27	-58.41
CCC1=CC=C(C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690583	0	52	0.0	-82.78	392.13	12.06	-70.72
CCC1=CC=C(C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690584	0	55	0.0	-78.84	411.23	10.66	-68.18
CCC1=CC=C(C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690585	0	60	0.0	-48.78	455.52	13.86	-34.92
CCC1=CC=C(C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690586	0	63	0.0	-72.39	469.36	11.40	-60.99
CCC1=CC=C(C(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690587	0	60	0.0	-68.20	467.73	12.99	-55.21
CCC1=CC=C(C(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690588	0	60	0.0	-72.79	470.45	12.00	-60.79
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)[NH+](C)C)C=C1	REAL300012690589	0	61	0.0	-74.18	451.31	10.85	-63.33
CCC1=CC=C(C(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690590	0	63	0.0	-71.94	469.12	11.47	-60.47
CCC1=CC=C(C(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690591	0	63	0.0	-68.17	469.12	11.47	-56.70
CCC1=CC=C(C(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690592	0	61	0.0	-57.02	450.28	12.03	-44.99
CCC1=CC=C(C(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690593	0	61	0.0	-81.50	444.82	13.02	-68.48
C=CCSCC(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690594	0	55	0.0	-67.86	445.95	10.10	-57.76
CCC1=CC=C(C(CNC(=O)N(CC)C(CC)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690595	0	56	0.0	-69.03	415.68	11.69	-57.34
CCC1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2(OC)CCC2)[NH+](C)C)C=C1	REAL300012690596	0	58	0.0	-65.57	436.49	7.87	-57.70
CCC1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)[NH+](C)C)C=C1	REAL300012690597	0	54	0.0	-78.70	422.31	9.76	-68.94
CCC1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690599	0	51	0.0	-70.68	394.28	10.20	-60.48
CCC1=CC=C(C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690600	0	53	0.0	-56.81	404.15	10.94	-45.87
CCC1=CC=C(C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690601	0	57	0.0	-80.90	421.27	11.75	-69.15
CCC1=CC=C(C(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690602	0	61	0.0	-76.36	444.64	12.97	-63.39
CCC1=CC=C(C(CNC(=O)NC(CCC(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690603	0	59	0.0	-70.97	448.62	10.28	-60.69
CCC1=CC=C(C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690604	0	58	0.0	-53.77	435.35	11.61	-42.16
CCC1=CC=C(C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690605	0	58	0.0	-68.88	438.49	7.96	-60.92
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CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C	REAL300012690623	0	56	0.0	-69.62	420.77	11.12	-58.50
CCOCC(NC(=O)NCC(C1=CC=C(CC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012690624	0	54	0.0	-73.03	422.11	7.41	-65.62
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CCC1=CC=C(C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012690628	0	55	0.0	-74.88	410.14	9.64	-65.24
CCC1=CC=C(C(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690629	0	51	0.0	-73.30	408.91	8.72	-64.58
CCC1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)[NH+](C)C)C=C1	REAL300012690630	0	54	0.0	-63.24	422.02	10.90	-52.34
CCC1=CC=C(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012690631	0	50	0.0	-68.91	378.99	9.19	-59.72
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(CC)C=C2)[NH+](C)C)C1	REAL300012690632	0	58	0.0	-72.92	441.92	10.15	-62.77
CC(C)C[C@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690633	0	59	0.0	-77.97	448.30	7.41	-70.56
C=CCOCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690634	0	58	0.0	-78.93	456.61	5.97	-72.96
C=CC(C)C(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690635	0	57	0.0	-77.49	434.50	7.01	-70.48
CC1CCN(C(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)C(C(=O)[O-])C1	REAL300012690636	0	60	0.0	-85.91	440.59	9.70	-76.21
CCCN(CC(=O)[O-])C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690637	0	56	0.0	-65.79	429.42	8.74	-57.05
CC(C(=O)[O-])N(C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CCC1	REAL300012690638	0	60	0.0	-60.99	434.99	9.72	-51.27
CCCN(C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(CC)C(=O)[O-]	REAL300012690639	0	62	0.0	-74.98	456.47	9.77	-65.21
CC(C)C(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690640	0	56	0.0	-77.35	427.03	6.76	-70.59
O=C([O-])C1CCCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690641	0	57	0.0	-86.53	418.57	9.13	-77.40
O=C([O-])C1CSCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690642	0	55	0.0	-82.74	418.14	8.88	-73.86
O=C([O-])C1(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCCCC1	REAL300012690643	0	60	0.0	-81.21	437.99	8.17	-73.04
O=C([O-])C1CCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690644	0	54	0.0	-81.93	407.65	7.93	-74.00
O=C([O-])C1(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300012690645	0	57	0.0	-81.16	423.48	7.07	-74.09
O=C([O-])CNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690646	0	47	0.0	-67.13	367.37	4.32	-62.81
O=C([O-])[C@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012690647	0	57	0.0	-78.69	445.05	8.09	-70.60
O=C([O-])C(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012690648	0	57	0.0	-78.77	446.17	8.25	-70.52
CCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690649	0	53	0.0	-77.33	409.99	6.18	-71.15
CC(C)C(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690650	0	56	0.0	-77.35	427.03	6.76	-70.59
CN(CC(=O)[O-])C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690651	0	50	0.0	-76.21	386.11	7.00	-69.21
CC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690652	0	50	0.0	-67.69	388.16	5.15	-62.54
CCC(C)C(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690653	0	59	0.0	-78.06	444.97	7.39	-70.67
CN(CC(=O)[O-])C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690654	0	50	0.0	-76.21	386.11	7.00	-69.21
O=C([O-])C1CCCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690655	0	57	0.0	-86.53	418.57	9.13	-77.40
CCCC(C)(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690656	0	59	0.0	-77.15	435.63	7.31	-69.84
CC(C)N(CC(=O)[O-])C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690657	0	56	0.0	-76.33	417.62	8.24	-68.09
O=C([O-])CN(C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012690658	0	54	0.0	-77.34	411.35	8.16	-69.18
C=CCN(CC(=O)[O-])C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690659	0	54	0.0	-65.57	420.73	8.54	-57.03
CC(C)CN(CC(=O)[O-])C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690660	0	59	0.0	-65.21	443.83	9.04	-56.17
CC(C)(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690661	0	53	0.0	-66.20	400.74	5.55	-60.65
CC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1CC1	REAL300012690662	0	57	0.0	-78.80	422.51	7.15	-71.65
O=C([O-])C1(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCCCC1	REAL300012690663	0	60	0.0	-81.21	437.99	8.17	-73.04
CC(C)N(CC(=O)[O-])C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690664	0	56	0.0	-76.33	417.62	8.24	-68.09
CCCN(CC(=O)[O-])C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690665	0	56	0.0	-65.79	429.42	8.74	-57.05
CCN(CC(=O)[O-])C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690666	0	53	0.0	-76.25	407.92	7.98	-68.27
CC[C@H](C)[C@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690667	0	59	0.0	-78.59	440.84	7.07	-71.52
O=C([O-])C1(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300012690668	0	57	0.0	-81.16	423.48	7.07	-74.09
CCC(C)(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690669	0	56	0.0	-76.90	414.13	6.55	-70.35
C[C@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690670	0	50	0.0	-67.17	386.88	5.03	-62.14
CCN(CC(=O)[O-])C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690671	0	53	0.0	-76.25	407.92	7.98	-68.27
C[C@@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690672	0	50	0.0	-68.31	388.08	5.05	-63.26
O=C([O-])C1(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300012690673	0	51	0.0	-83.06	393.92	6.31	-76.75
O=C([O-])C1COCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690674	0	55	0.0	-82.97	410.85	6.63	-76.34
O=C([O-])C(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012690675	0	54	0.0	-75.52	415.80	6.50	-69.02
COCCN(CC(=O)[O-])C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690676	0	57	0.0	-66.45	439.30	7.17	-59.28
O=C([O-])[C@H]1CCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690677	0	54	0.0	-83.79	408.01	7.56	-76.23
O=C([O-])[C@H]1CCCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690678	0	57	0.0	-85.73	419.54	9.07	-76.66
C[C@H](C(=O)[O-])N(C)C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690679	0	53	0.0	-72.59	399.90	7.08	-65.51
O=C([O-])[C@@H]1CCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690680	0	54	0.0	-83.38	408.75	8.09	-75.29
O=C([O-])C1(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCC1	REAL300012690681	0	54	0.0	-81.62	410.00	6.74	-74.88
C=CCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690682	0	54	0.0	-76.32	422.47	6.63	-69.69
CC1(C(=O)[O-])CCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690683	0	57	0.0	-83.08	425.49	8.57	-74.51
O=C([O-])C1CCCCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690684	0	60	0.0	-84.94	431.39	9.52	-75.42
O=C([O-])C(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012690685	0	54	0.0	-75.52	415.80	6.50	-69.02
CC(C(=O)[O-])N(C)C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690686	0	53	0.0	-72.42	400.51	7.13	-65.29
CCCCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690687	0	59	0.0	-77.20	452.98	7.73	-69.47
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690688	0	57	0.0	-83.34	425.85	8.62	-74.72
O=C([O-])CN(C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCC1	REAL300012690689	0	60	0.0	-63.92	437.80	9.28	-54.64
COCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690690	0	54	0.0	-78.27	421.71	4.46	-73.81
CCCCCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690691	0	62	0.0	-76.35	474.24	8.56	-67.79
CN(C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1(C(=O)[O-])CCCC1	REAL300012690692	0	60	0.0	-82.31	433.93	8.77	-73.54
CC(C(=O)[O-])N(C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012690693	0	57	0.0	-73.30	417.28	8.05	-65.25
CCC(C(=O)[O-])N(C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012690694	0	60	0.0	-67.31	446.81	9.65	-57.66
COCC(C)(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690695	0	57	0.0	-81.10	432.37	5.83	-75.27
CCOCC(C(=O)[O-])N(C)C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690696	0	60	0.0	-74.14	452.37	7.48	-66.66
CC(C)CN(CC(=O)[O-])C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690697	0	59	0.0	-65.21	443.83	9.04	-56.17
O=C([O-])CN(C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300012690698	0	54	0.0	-77.34	411.35	8.16	-69.18
O=C([O-])C1(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCOC1	REAL300012690699	0	55	0.0	-76.97	415.64	4.68	-72.29
O=C([O-])C1(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCOCC1	REAL300012690700	0	58	0.0	-79.79	429.82	5.73	-74.06
C=CCCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690701	0	57	0.0	-76.20	444.06	7.56	-68.64
O=C([O-])C(CF)NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690702	0	50	0.0	-65.54	391.78	5.17	-60.37
CC(C(=O)[O-])N(C)C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690703	0	53	0.0	-72.42	400.51	7.13	-65.29
CCC(CC)(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690704	0	59	0.0	-78.08	430.52	7.44	-70.64
CCC(C)N(CC(=O)[O-])C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690705	0	59	0.0	-65.19	438.65	9.32	-55.87
CCC(COC)(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690706	0	60	0.0	-82.43	448.81	6.75	-75.68
O=C([O-])C(CC1CC1)NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690707	0	57	0.0	-76.86	442.11	7.60	-69.26
COCCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690708	0	57	0.0	-76.48	443.42	5.30	-71.18
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690709	0	62	0.0	-74.24	458.27	9.51	-64.73
O=C([O-])C(CC(F)F)NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690710	0	53	0.0	-75.99	422.34	6.47	-69.52
CCCN(C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012690711	0	59	0.0	-73.23	439.08	8.71	-64.52
O=C([O-])C(CCF)NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690712	0	53	0.0	-75.39	416.58	6.32	-69.07
CC(CCF)(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690713	0	56	0.0	-73.74	420.72	6.69	-67.05
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690714	0	54	0.0	-77.27	423.90	7.83	-69.44
C[C@@H](C(=O)[O-])N(C)C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690715	0	53	0.0	-72.91	400.12	7.07	-65.84
O=C([O-])C12CC(C1)CN2C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690716	0	55	0.0	-87.86	414.49	8.51	-79.35
CC(C)(C)[C@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690717	0	59	0.0	-77.26	439.67	7.13	-70.13
C=C(Cl)CC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690718	0	54	0.0	-73.39	438.46	7.30	-66.09
C=C(C)CC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690719	0	57	0.0	-77.30	443.14	7.48	-69.82
O=C([O-])C12CCC(CC1)N2C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690720	0	58	0.0	-90.55	430.86	9.51	-81.04
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690721	0	54	0.0	-76.75	422.55	7.93	-68.82
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690722	0	54	0.0	-77.48	414.84	8.10	-69.38
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300012690723	0	55	0.0	-83.61	422.91	8.19	-75.42
CC(C)C[C@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690724	0	59	0.0	-77.97	448.30	7.41	-70.56
O=C([O-])C(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012690725	0	57	0.0	-78.77	446.17	8.25	-70.52
O=C([O-])C(CC1CC1)NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690726	0	57	0.0	-76.86	442.11	7.60	-69.26
CSCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690727	0	54	0.0	-74.42	433.45	6.59	-67.83
COC[C@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690728	0	54	0.0	-79.16	421.45	4.35	-74.81
CC[C@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690729	0	53	0.0	-76.17	408.88	6.02	-70.15
CCC(C)CC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690730	0	62	0.0	-77.00	466.09	8.14	-68.86
C=CCCCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690731	0	60	0.0	-76.81	465.80	8.29	-68.52
O=C([O-])C1CSCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690732	0	55	0.0	-82.74	418.14	8.88	-73.86
O=C([O-])[C@H]1CCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690733	0	54	0.0	-83.79	408.01	7.56	-76.23
CCCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690734	0	56	0.0	-76.50	431.25	7.00	-69.50
CC(C)[C@@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690735	0	56	0.0	-76.79	420.31	6.43	-70.36
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690736	0	58	0.0	-89.44	430.68	9.67	-79.77
CCN(C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012690737	0	59	0.0	-79.94	434.66	8.93	-71.01
CCCN(C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012690738	0	59	0.0	-73.23	439.08	8.71	-64.52
CN(C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012690739	0	56	0.0	-80.15	415.13	8.08	-72.07
O=C([O-])[C@@H]1CCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690740	0	54	0.0	-83.38	408.75	8.09	-75.29
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690741	0	55	0.0	-85.11	420.39	4.34	-80.77
CCC[C@@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690742	0	56	0.0	-76.71	430.85	6.94	-69.77
O=C([O-])[C@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012690743	0	57	0.0	-78.69	445.05	8.09	-70.60
C=CCCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690744	0	57	0.0	-76.20	444.06	7.56	-68.64
C[C@]1(C(=O)[O-])CCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690745	0	57	0.0	-79.92	425.88	8.64	-71.28
CC(C)[C@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690746	0	56	0.0	-77.97	422.29	6.43	-71.54
O=C([O-])[C@@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300012690747	0	57	0.0	-78.78	445.13	8.21	-70.57
C[C@@H](C(=O)[O-])N(C)C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690748	0	53	0.0	-72.91	400.12	7.07	-65.84
CCC[C@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690749	0	56	0.0	-77.55	431.10	6.87	-70.68
CCN(C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300012690750	0	56	0.0	-72.78	417.70	8.02	-64.76
O=C([O-])CN(C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCC1	REAL300012690751	0	60	0.0	-63.92	437.80	9.28	-54.64
CC(CN(C)C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690752	0	56	0.0	-76.04	420.34	7.63	-68.41
CC[C@H](C)[C@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690753	0	59	0.0	-78.59	440.84	7.07	-71.52
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690754	0	56	0.0	-73.43	420.57	8.14	-65.29
O=C([O-])C1(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CC(CO)C1	REAL300012690755	0	58	0.0	-82.20	441.87	3.95	-78.25
CC1CCC(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012690756	0	60	0.0	-80.95	446.06	7.91	-73.04
COCCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690757	0	57	0.0	-76.48	443.42	5.30	-71.18
CC1(C)CC(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012690758	0	60	0.0	-82.49	446.03	8.38	-74.11
CC1(C(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])CC1	REAL300012690759	0	57	0.0	-78.77	430.33	7.36	-71.41
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690760	0	55	0.0	-90.05	420.35	4.48	-85.57
O=C([O-])C(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CCOC1	REAL300012690761	0	58	0.0	-75.31	442.32	5.25	-70.06
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690762	0	58	0.0	-86.80	429.66	9.07	-77.73
O=C([O-])C12COC(CN1C(=O)NCCN1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300012690763	0	56	0.0	-84.37	422.98	6.84	-77.53
CC1CCC(C(=O)[O-])N(C(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300012690764	0	60	0.0	-86.51	441.00	9.95	-76.56
O=C([O-])C(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CCC1	REAL300012690765	0	57	0.0	-77.34	429.66	7.13	-70.21
O=C([O-])C(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CCC1	REAL300012690766	0	57	0.0	-77.34	429.66	7.13	-70.21
CC1CCN(C(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300012690767	0	57	0.0	-84.27	423.42	8.03	-76.24
C=CCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690768	0	54	0.0	-76.32	422.47	6.63	-69.69
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690769	0	58	0.0	-64.07	431.76	9.11	-54.96
COC1CC(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012690770	0	58	0.0	-83.73	444.48	5.85	-77.88
O=C([O-])C1(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CC(F)(F)C1	REAL300012690771	0	54	0.0	-79.44	419.54	6.91	-72.53
CO[C@H]1C[C@](NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300012690772	0	58	0.0	-80.27	443.05	6.15	-74.12
CCC1(C(=O)[O-])CCCN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690773	0	60	0.0	-83.90	441.26	9.72	-74.18
O=C([O-])C1(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)COC1	REAL300012690774	0	52	0.0	-75.66	400.43	3.71	-71.95
CC(C)C(C)(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690775	0	59	0.0	-78.45	430.86	7.24	-71.21
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690776	0	55	0.0	-84.55	416.07	9.26	-75.29
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690777	0	58	0.0	-84.82	432.06	8.86	-75.96
CCC(C(=O)[O-])N(CC)C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690778	0	59	0.0	-73.34	434.20	8.87	-64.47
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690779	0	54	0.0	-77.48	414.84	8.10	-69.38
O=C([O-])C1C2C=CC(C2)N1C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690780	0	56	0.0	-64.45	424.37	8.84	-55.61
CC1(C)CCN(C(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1C(=O)[O-]	REAL300012690781	0	60	0.0	-83.00	439.96	8.88	-74.12
CC(C)CCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690782	0	62	0.0	-76.57	470.32	8.30	-68.27
O=C([O-])C1(NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCC2CC21	REAL300012690783	0	58	0.0	-82.95	432.49	8.12	-74.83
O=C([O-])C(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCC1	REAL300012690784	0	60	0.0	-77.73	446.15	7.76	-69.97
CO[C@H](C)[C@H](NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690785	0	57	0.0	-78.56	439.12	5.35	-73.21
CC1[C@@H](C)[C@@]1(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690786	0	57	0.0	-78.89	424.18	7.42	-71.47
CC1(C)CC(C(=O)[O-])N(C(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300012690787	0	60	0.0	-63.42	448.61	8.88	-54.54
O=C([O-])C1N(C(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCC1(F)F	REAL300012690788	0	54	0.0	-86.07	421.31	7.90	-78.17
COCCCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690789	0	60	0.0	-76.28	464.33	6.03	-70.25
CCCC(C(=O)[O-])N(C)C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690790	0	59	0.0	-72.98	442.96	9.08	-63.90
CCOCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690791	0	57	0.0	-79.28	443.70	5.39	-73.89
CC(C)(C)CC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690792	0	62	0.0	-77.45	460.82	8.57	-68.88
C[C@H]1OCCN(C(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)[C@@H]1C(=O)[O-]	REAL300012690793	0	58	0.0	-82.57	431.46	7.66	-74.91
N#CCCC(NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300012690794	0	54	0.0	-77.62	430.85	6.68	-70.94
C[C@H](C(=O)[O-])N(C)C(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300012690795	0	53	0.0	-72.59	399.90	7.08	-65.51
CC[NH+](CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300012690796	0	56	0.0	-63.93	415.04	8.68	-55.25
C=CCOCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690797	0	55	0.0	-65.26	418.30	7.64	-57.62
C=CC(C)C(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690798	0	54	0.0	-67.59	396.98	8.78	-58.81
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300012690799	0	58	0.0	-63.59	424.41	7.45	-56.14
CC[NH+](CC)C(CNC(=O)N1CCC(OC)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012690800	0	58	0.0	-69.50	419.02	8.74	-60.76
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CC=CC=C1	REAL300012690801	0	58	0.0	-65.75	420.21	7.27	-58.48
CC[NH+](CC)C(CNC(=O)N1CCC(C)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012690802	0	57	0.0	-78.57	404.89	11.71	-66.86
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1)C1=CC=CC=C1	REAL300012690803	0	60	0.0	-65.62	455.30	10.77	-54.85
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1)C1=CC=CC=C1	REAL300012690804	0	60	0.0	-65.64	450.92	10.66	-54.98
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C)C1=CC=CC=C1	REAL300012690805	0	60	0.0	-65.28	444.48	10.53	-54.75
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC	REAL300012690806	0	53	0.0	-52.75	384.64	10.78	-41.97
CC[NH+](CC)C(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)C1=CC=CC=C1	REAL300012690807	0	57	0.0	-46.88	396.83	11.08	-35.80
CCCN(C(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(COC)C(=O)[O-]	REAL300012690808	0	60	0.0	-64.29	426.89	10.01	-54.28
CCCN(C(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(CC)C(=O)[O-]	REAL300012690809	0	59	0.0	-64.30	417.47	11.48	-52.82
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CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CC=C1	REAL300012690813	0	57	0.0	-72.09	400.49	10.05	-62.04
CC[NH+](CC)C(CNC(=O)N1CCCC1C(=O)[O-])C1=CC=CC=C1	REAL300012690814	0	51	0.0	-72.31	369.30	9.86	-62.45
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012690815	0	54	0.0	-71.71	382.18	9.36	-62.35
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C1=CC=CC=C1	REAL300012690816	0	60	0.0	-72.38	406.30	10.64	-61.74
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012690817	0	57	0.0	-69.20	430.36	10.94	-58.26
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012690818	0	57	0.0	-52.19	422.63	13.03	-39.16
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012690819	0	54	0.0	-67.94	412.52	9.45	-58.49
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012690820	0	54	0.0	-67.64	412.26	9.53	-58.11
CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690821	0	50	0.0	-64.44	371.34	7.88	-56.56
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)C1=CC=CC=C1	REAL300012690822	0	53	0.0	-67.48	384.28	8.20	-59.28
CC[NH+](CC)C(CNC(=O)N(C)CC(=O)[O-])C1=CC=CC=C1	REAL300012690823	0	47	0.0	-65.61	347.93	8.83	-56.78
CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012690824	0	57	0.0	-69.20	430.36	10.94	-58.26
CC[NH+](CC)C(CNC(=O)NC(C)C(=O)[O-])C1=CC=CC=C1	REAL300012690825	0	47	0.0	-56.67	350.34	6.85	-49.82
CCC(C)C(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690826	0	56	0.0	-66.76	405.29	9.11	-57.65
CC[NH+](CC)C(CNC(=O)N(C)CC(=O)[O-])C1=CC=CC=C1	REAL300012690827	0	47	0.0	-65.61	347.93	8.83	-56.78
CC[NH+](CC)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC=C1	REAL300012690828	0	54	0.0	-78.52	374.28	11.46	-67.06
CCCC(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690829	0	56	0.0	-65.09	397.81	9.00	-56.09
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)C1=CC=CC=C1	REAL300012690830	0	53	0.0	-67.80	380.03	9.93	-57.87
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012690831	0	51	0.0	-57.71	364.18	10.82	-46.89
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC	REAL300012690832	0	51	0.0	-52.37	375.95	10.58	-41.79
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(C)C)C1=CC=CC=C1	REAL300012690833	0	56	0.0	-52.49	399.32	11.28	-41.21
CC[NH+](CC)C(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1=CC=CC=C1	REAL300012690834	0	58	0.0	-66.49	425.95	11.97	-54.52
CC[NH+](CC)C(CNC(=O)NC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300012690835	0	50	0.0	-54.61	362.92	7.24	-47.37
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012690836	0	54	0.0	-65.09	377.99	9.24	-55.85
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1=CC=CC=C1	REAL300012690837	0	51	0.0	-66.01	404.14	8.55	-57.46
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CC=C1	REAL300012690838	0	57	0.0	-72.09	400.49	10.05	-62.04
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)C1=CC=CC=C1	REAL300012690839	0	53	0.0	-67.80	380.03	9.93	-57.87
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC	REAL300012690840	0	53	0.0	-52.75	384.64	10.78	-41.97
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC	REAL300012690841	0	50	0.0	-63.98	363.14	10.02	-53.96
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690842	0	56	0.0	-63.60	406.86	8.38	-55.22
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012690843	0	54	0.0	-71.71	382.18	9.36	-62.35
CC[NH+](CC)C(CNC(=O)NC(C)(CC)C(=O)[O-])C1=CC=CC=C1	REAL300012690844	0	53	0.0	-66.87	376.31	8.24	-58.63
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=CC=C1	REAL300012690845	0	58	0.0	-67.71	421.88	11.53	-56.18
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012690846	0	57	0.0	-68.96	410.06	11.03	-57.93
CC[NH+](CC)C(CNC(=O)N[C@@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300012690847	0	47	0.0	-56.20	342.36	7.12	-49.08
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC	REAL300012690848	0	50	0.0	-63.98	363.14	10.02	-53.96
CCCCCCC(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690849	0	65	0.0	-65.24	462.30	11.33	-53.91
CC[NH+](CC)C(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012690850	0	60	0.0	-66.27	439.45	13.05	-53.22
CC[NH+](CC)C(CNC(=O)N[C@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300012690851	0	47	0.0	-57.92	354.83	6.32	-51.60
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300012690852	0	48	0.0	-73.16	352.09	8.49	-64.67
CC[NH+](CC)C(CNC(=O)N1CCOCC1C(=O)[O-])C1=CC=CC=C1	REAL300012690853	0	52	0.0	-75.61	363.92	9.08	-66.53
CC[NH+](CC)C(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)C1=CC=CC=C1	REAL300012690854	0	60	0.0	-76.95	406.54	11.38	-65.57
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CC[NH+](CC)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CC=C1	REAL300012690856	0	60	0.0	-46.97	450.19	13.58	-33.39
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CC[NH+](CC)C(CNC(=O)N(CCOC)CC(=O)[O-])C1=CC=CC=C1	REAL300012690858	0	54	0.0	-52.84	394.43	9.21	-43.63
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1=CC=CC=C1	REAL300012690859	0	58	0.0	-68.98	427.53	10.57	-58.41
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012690860	0	51	0.0	-73.74	370.43	9.15	-64.59
CC[NH+](CC)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012690861	0	54	0.0	-50.16	379.93	9.62	-40.54
CC[NH+](CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300012690862	0	50	0.0	-66.38	358.47	8.53	-57.85
CC[NH+](CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012690863	0	51	0.0	-73.98	363.73	9.61	-64.37
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC1)C1=CC=CC=C1	REAL300012690864	0	51	0.0	-72.57	372.10	8.56	-64.01
C=CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690865	0	51	0.0	-63.74	384.65	8.32	-55.42
CC[NH+](CC)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CC=CC=C1	REAL300012690866	0	54	0.0	-78.05	383.97	10.77	-67.28
CC[NH+](CC)C(CNC(=O)N1CCCCCC1C(=O)[O-])C1=CC=CC=C1	REAL300012690867	0	57	0.0	-75.35	390.64	11.57	-63.78
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012690868	0	51	0.0	-67.33	374.11	8.67	-58.66
CC[NH+](CC)C(CNC(=O)N(C)C(C)C(=O)[O-])C1=CC=CC=C1	REAL300012690869	0	50	0.0	-60.59	355.92	9.11	-51.48
CCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690870	0	56	0.0	-65.10	415.17	9.41	-55.69
CC[NH+](CC)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=CC=C1	REAL300012690871	0	60	0.0	-46.97	450.19	13.58	-33.39
CC[NH+](CC)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=CC=C1	REAL300012690872	0	54	0.0	-73.64	379.88	10.51	-63.13
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CC=C1	REAL300012690873	0	57	0.0	-52.03	402.97	10.99	-41.04
CC[NH+](CC)C(CNC(=O)NC(COC)C(=O)[O-])C1=CC=CC=C1	REAL300012690874	0	51	0.0	-65.42	383.54	6.09	-59.33
CCCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690875	0	59	0.0	-65.10	436.66	10.19	-54.91
CCC1CCC(NC(=O)NCC(C2=CC=CC=C2)[NH+](CC)CC)(C(=O)[O-])CC1	REAL300012690876	0	63	0.0	-72.18	439.56	11.30	-60.88
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300012690877	0	58	0.0	-52.51	410.91	9.33	-43.18
CC[NH+](CC)C(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300012690878	0	57	0.0	-69.82	400.02	10.88	-58.94
CC[NH+](CC)C(CNC(=O)N(C(C)C(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300012690879	0	54	0.0	-62.37	376.66	10.89	-51.48
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C1CC1	REAL300012690880	0	57	0.0	-62.16	397.18	12.17	-49.99
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CC[NH+](CC)C(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1=CC=CC=C1	REAL300012690882	0	58	0.0	-71.54	422.20	12.34	-59.20
CC[NH+](CC)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012690883	0	63	0.0	-68.16	456.44	10.64	-57.52
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)C1=CC=CC=C1	REAL300012690884	0	60	0.0	-52.73	438.63	13.39	-39.34
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1)C1=CC=CC=C1	REAL300012690885	0	57	0.0	-64.42	433.67	10.21	-54.21
CC[NH+](CC)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300012690886	0	50	0.0	-59.68	388.10	8.56	-51.12
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CC[NH+](CC)C(CNC(=O)NC(C)(COC)C(=O)[O-])C1=CC=CC=C1	REAL300012690888	0	54	0.0	-69.49	394.55	7.53	-61.96
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CC[NH+](CC)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1=CC=CC=C1	REAL300012690892	0	53	0.0	-53.73	402.77	11.16	-42.57
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CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CC=C1	REAL300012690894	0	60	0.0	-67.65	419.17	10.40	-57.25
CC[NH+](CC)C(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012690895	0	61	0.0	-67.09	439.22	10.56	-56.53
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C=CCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690897	0	54	0.0	-64.82	406.48	9.19	-55.63
CC[NH+](CC)C(CNC(=O)NC(CF)C(=O)[O-])C1=CC=CC=C1	REAL300012690898	0	47	0.0	-53.56	353.96	6.86	-46.70
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CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1)C1=CC=CC=C1	REAL300012690919	0	58	0.0	-69.12	429.39	9.52	-59.60
CC[NH+](CC)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CC=CC=C1	REAL300012690920	0	53	0.0	-62.15	382.90	8.38	-53.77
CC[NH+](CC)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1=CC=CC=C1	REAL300012690921	0	55	0.0	-75.00	404.00	10.39	-64.61
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012690922	0	51	0.0	-71.80	381.78	9.86	-61.94
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1)C1=CC=CC=C1	REAL300012690923	0	58	0.0	-69.61	430.02	9.49	-60.12
CC[NH+](CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300012690924	0	50	0.0	-61.20	359.36	8.52	-52.68
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1=CC=CC=C1	REAL300012690925	0	63	0.0	-68.90	421.16	11.29	-57.61
CC[NH+](CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC=CC=C1	REAL300012690926	0	52	0.0	-78.22	375.89	10.37	-67.85
CC[NH+](CC)C(CNC(=O)N1CC(OC)CC1(C)C(=O)[O-])C1=CC=CC=C1	REAL300012690927	0	58	0.0	-74.52	416.99	9.75	-64.77
CC[NH+](CC)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300012690928	0	61	0.0	-63.23	443.51	8.89	-54.34
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC=CC=C1	REAL300012690929	0	56	0.0	-64.80	407.14	8.49	-56.31
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CC[NH+](CC)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CC=CC=C1	REAL300012690932	0	55	0.0	-81.75	387.17	10.94	-70.81
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012690933	0	51	0.0	-68.06	379.62	10.41	-57.65
CC[NH+](CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012690934	0	51	0.0	-72.69	369.00	10.26	-62.43
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+](CC)CC)C1	REAL300012690935	0	52	0.0	-72.55	381.60	10.01	-62.54
CC[NH+](CC)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012690936	0	61	0.0	-64.75	447.57	8.26	-56.49
CC[NH+](CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300012690937	0	56	0.0	-63.93	415.04	8.68	-55.25
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300012690938	0	58	0.0	-63.59	424.41	7.45	-56.14
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012690939	0	54	0.0	-67.64	412.26	9.53	-58.11
CC[NH+](CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC=C1	REAL300012690940	0	54	0.0	-63.41	407.95	8.94	-54.47
CC[NH+](CC)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300012690941	0	53	0.0	-68.60	421.51	7.53	-61.07
CC[NH+](CC)C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300012690942	0	62	0.0	-65.15	454.23	10.70	-54.45
CC[NH+](CC)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C1=CC=CC=C1	REAL300012690943	0	58	0.0	-71.82	432.54	7.77	-64.05
CC[NH+](CC)C(CNC(=O)NC(CSC)C(=O)[O-])C1=CC=CC=C1	REAL300012690944	0	51	0.0	-61.38	394.96	8.31	-53.07
CC[NH+](CC)C(CNC(=O)N[C@@H](COC)C(=O)[O-])C1=CC=CC=C1	REAL300012690945	0	51	0.0	-64.22	388.06	5.67	-58.55
CC[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690946	0	50	0.0	-66.50	363.52	8.14	-58.36
CCC(C)CC(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690947	0	59	0.0	-65.47	429.10	9.82	-55.65
C=CCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690948	0	57	0.0	-63.81	427.15	9.99	-53.82
CC[NH+](CC)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CC=C1	REAL300012690949	0	52	0.0	-74.61	377.06	11.18	-63.43
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012690950	0	57	0.0	-68.96	410.06	11.03	-57.93
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012690951	0	51	0.0	-73.74	370.43	9.15	-64.59
CCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690952	0	53	0.0	-64.34	392.84	8.64	-55.70
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C1=CC=CC=C1	REAL300012690953	0	53	0.0	-68.11	393.38	7.96	-60.15
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CC=CC=C1	REAL300012690954	0	55	0.0	-80.55	387.48	11.08	-69.47
CCN(C(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(C)(C)C(=O)[O-]	REAL300012690955	0	56	0.0	-69.30	395.91	10.75	-58.55
CCCN(C(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012690956	0	56	0.0	-41.02	404.00	10.69	-30.33
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CC=C1	REAL300012690957	0	50	0.0	-60.74	379.42	10.31	-50.43
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CC[NH+](CC)C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300012690959	0	53	0.0	-71.43	370.29	10.07	-61.36
CC[NH+](CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012690960	0	51	0.0	-73.98	363.73	9.61	-64.37
CC[NH+](CC)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012690961	0	52	0.0	-81.41	378.80	6.12	-75.29
CC[NH+](CC)C(CNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-])C1=CC=CC=C1	REAL300012690962	0	58	0.0	-77.56	422.07	13.20	-64.36
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CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012690964	0	54	0.0	-67.94	412.52	9.45	-58.49
CC[NH+](CC)C(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012690965	0	59	0.0	-68.27	441.73	10.22	-58.05
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CC[NH+](CC)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300012690967	0	53	0.0	-69.15	410.39	8.21	-60.94
CC[NH+](CC)C(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012690968	0	54	0.0	-86.94	394.86	7.66	-79.28
CC[NH+](CC)C(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012690969	0	55	0.0	-57.37	404.52	7.79	-49.58
CC[NH+](CC)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=CC=C1	REAL300012690970	0	54	0.0	-71.83	379.49	10.81	-61.02
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C1=CC=CC=C1	REAL300012690971	0	53	0.0	-67.67	381.40	8.70	-58.97
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300012690972	0	54	0.0	-66.55	399.89	10.23	-56.32
CC[NH+](CC)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1=CC=CC=C1	REAL300012690973	0	57	0.0	-70.49	421.95	8.80	-61.69
CC[NH+](CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300012690974	0	50	0.0	-61.20	359.36	8.52	-52.68
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CCN(C(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012690976	0	53	0.0	-62.73	376.98	9.54	-53.19
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CC=C1	REAL300012690977	0	57	0.0	-52.03	402.97	10.99	-41.04
CC[NH+](CC)C(CNC(=O)N(C)CC(C)C(=O)[O-])C1=CC=CC=C1	REAL300012690978	0	53	0.0	-69.54	382.71	9.43	-60.11
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012690979	0	56	0.0	-63.60	406.86	8.38	-55.22
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC	REAL300012690980	0	53	0.0	-61.51	379.81	9.61	-51.90
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CC=CC=C1	REAL300012690981	0	55	0.0	-77.44	399.43	6.16	-71.28
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1=CC=CC=C1	REAL300012690982	0	63	0.0	-66.93	451.21	9.58	-57.35
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)C1=CC=CC=C1	REAL300012690983	0	57	0.0	-69.53	403.83	10.02	-59.51
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1=CC=CC=C1	REAL300012690984	0	60	0.0	-72.52	420.28	9.73	-62.79
CC[NH+](CC)C(CNC(=O)NC(CCOC)C(=O)[O-])C1=CC=CC=C1	REAL300012690985	0	54	0.0	-65.38	405.84	6.91	-58.47
CC[NH+](CC)C(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012690986	0	60	0.0	-66.27	439.45	13.05	-53.22
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CC=CC=C1	REAL300012690987	0	57	0.0	-71.39	405.32	10.70	-60.69
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=CC=C1	REAL300012690988	0	54	0.0	-70.30	399.94	8.74	-61.56
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1=CC=CC=C1	REAL300012690989	0	63	0.0	-69.45	460.33	8.68	-60.77
CC[NH+](CC)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012690990	0	52	0.0	-81.73	378.15	6.35	-75.38
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CC=CC=C1	REAL300012690991	0	55	0.0	-68.02	403.12	6.42	-61.60
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CC[NH+](CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CC=CC=C1	REAL300012690993	0	53	0.0	-74.25	379.35	8.22	-66.03
CC[NH+](CC)C(CNC(=O)N1CC(C)CCC1C(=O)[O-])C1=CC=CC=C1	REAL300012690994	0	57	0.0	-77.91	396.78	12.02	-65.89
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)C1=CC=CC=C1	REAL300012690995	0	60	0.0	-66.94	445.77	11.29	-55.65
CC[NH+](CC)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012690996	0	61	0.0	-64.06	449.06	10.51	-53.55
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC=C1	REAL300012690997	0	54	0.0	-68.50	396.48	8.27	-60.23
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CC=C1	REAL300012690998	0	60	0.0	-67.65	419.17	10.40	-57.25
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC=C1	REAL300012690999	0	54	0.0	-68.50	396.48	8.27	-60.23
CC[NH+](CC)C(CNC(=O)N1CCC(C)C1C(=O)[O-])C1=CC=CC=C1	REAL300012691000	0	54	0.0	-74.58	386.69	9.65	-64.93
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CC[NH+](CC)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=CC=C1	REAL300012691002	0	61	0.0	-67.18	448.58	9.12	-58.06
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CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(OC)C1)C1=CC=CC=C1	REAL300012691007	0	55	0.0	-75.41	405.56	7.52	-67.89
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CC[NH+](CC)C(CNC(=O)N1CCCC1(CC)C(=O)[O-])C1=CC=CC=C1	REAL300012691010	0	57	0.0	-75.46	394.14	11.01	-64.45
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CC[NH+](CC)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300012691014	0	54	0.0	-69.36	414.90	10.28	-59.08
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C1=CC=CC=C1	REAL300012691015	0	56	0.0	-68.14	393.04	8.93	-59.21
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012691016	0	52	0.0	-78.06	376.13	10.92	-67.14
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012691017	0	55	0.0	-78.73	390.42	10.50	-68.23
CC[NH+](CC)C(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C1=CC=CC=C1	REAL300012691018	0	60	0.0	-40.66	423.09	13.40	-27.26
CC[NH+](CC)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012691019	0	63	0.0	-68.16	456.44	10.64	-57.52
CC[NH+](CC)C(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012691020	0	60	0.0	-64.88	457.75	11.16	-53.72
CC[NH+](CC)C(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012691021	0	60	0.0	-68.37	457.51	11.23	-57.14
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1=CC=CC=C1	REAL300012691022	0	61	0.0	-70.29	438.63	10.02	-60.27
CC[NH+](CC)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012691023	0	63	0.0	-68.54	456.67	10.59	-57.95
CC[NH+](CC)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300012691024	0	63	0.0	-63.69	456.43	10.64	-53.05
CC[NH+](CC)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012691025	0	61	0.0	-37.25	430.35	11.54	-25.71
CC[NH+](CC)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012691026	0	61	0.0	-76.40	434.56	10.98	-65.42
C=CCSCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012691027	0	55	0.0	-62.23	429.92	9.73	-52.50
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC	REAL300012691028	0	56	0.0	-64.09	396.01	10.74	-53.35
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1(OC)CCC1)C1=CC=CC=C1	REAL300012691029	0	58	0.0	-61.06	423.48	6.95	-54.11
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1=CC=CC=C1	REAL300012691030	0	54	0.0	-74.74	404.33	9.35	-65.39
CC[NH+](CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012691032	0	51	0.0	-72.69	369.00	10.26	-62.43
CC[NH+](CC)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CC=CC=C1	REAL300012691033	0	53	0.0	-36.09	380.99	10.43	-25.66
CC[NH+](CC)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CC=CC=C1	REAL300012691034	0	57	0.0	-75.57	406.65	10.14	-65.43
CC[NH+](CC)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1=CC=CC=C1	REAL300012691035	0	61	0.0	-78.98	417.45	13.44	-65.54
CC[NH+](CC)C(CNC(=O)NC(CCC(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300012691036	0	59	0.0	-64.54	431.90	9.94	-54.60
CC[NH+](CC)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012691037	0	58	0.0	-42.04	415.99	11.25	-30.79
CC[NH+](CC)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1	REAL300012691038	0	58	0.0	-65.05	424.60	7.46	-57.59
CC[NH+](CC)C(CNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012691039	0	55	0.0	-73.27	405.66	11.42	-61.85
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1=CC=CC=C1	REAL300012691040	0	58	0.0	-71.10	414.42	9.97	-61.13
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CC=CC=C1	REAL300012691041	0	55	0.0	-70.90	394.66	9.81	-61.09
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1=CC=CC=C1	REAL300012691042	0	58	0.0	-71.26	414.73	10.16	-61.10
CC[NH+](CC)C(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012691043	0	60	0.0	-71.88	435.28	12.54	-59.34
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CC=CC=C1	REAL300012691044	0	57	0.0	-69.27	419.78	9.09	-60.18
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C1=CC=CC=C1	REAL300012691045	0	54	0.0	-64.41	406.35	6.62	-57.79
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)C1=CC=CC=C1	REAL300012691046	0	54	0.0	-74.63	395.19	9.61	-65.02
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CC=C1	REAL300012691047	0	57	0.0	-52.19	422.63	13.03	-39.16
CC[NH+](CC)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012691048	0	57	0.0	-31.85	399.36	10.87	-20.98
CC[NH+](CC)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1=CC=CC=C1	REAL300012691049	0	54	0.0	-45.81	395.73	9.98	-35.83
CC[NH+](CC)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1=CC=CC=C1	REAL300012691050	0	51	0.0	-76.69	380.99	10.00	-66.69
CC[NH+](CC)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012691051	0	54	0.0	-67.86	425.60	9.32	-58.54
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1=CC=CC=C1	REAL300012691052	0	54	0.0	-68.49	393.17	10.90	-57.59
CC[NH+](CC)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300012691053	0	54	0.0	-67.86	425.60	9.32	-58.54
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012691054	0	58	0.0	-73.59	403.99	11.14	-62.45
CC[NH+](CC)C(CNC(=O)NC(CCCOC)C(=O)[O-])C1=CC=CC=C1	REAL300012691055	0	57	0.0	-63.76	426.51	7.71	-56.05
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC	REAL300012691056	0	56	0.0	-63.49	403.80	10.74	-52.75
CCOCC(NC(=O)NCC(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012691057	0	54	0.0	-65.70	405.40	7.07	-58.63
CC[NH+](CC)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300012691058	0	59	0.0	-66.15	423.98	10.18	-55.97
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C1=CC=CC=C1	REAL300012691059	0	58	0.0	-65.44	427.10	7.92	-57.52
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=CC=C1	REAL300012691060	0	58	0.0	-67.71	421.88	11.53	-56.18
CC[NH+](CC)C(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300012691061	0	55	0.0	-76.43	393.19	9.57	-66.86
CC[NH+](CC)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CC=CC=C1	REAL300012691062	0	51	0.0	-66.61	392.19	8.38	-58.23
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1=CC=CC=C1	REAL300012691063	0	54	0.0	-56.52	403.43	10.37	-46.15
CC[NH+](CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300012691064	0	50	0.0	-66.38	358.47	8.53	-57.85
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+](CC)CC)C1	REAL300012691065	0	58	0.0	-70.34	417.09	10.03	-60.31
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691066	0	54	0.0	-65.33	411.78	9.28	-56.05
C=CCOCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691067	0	53	0.0	-67.41	420.08	7.76	-59.65
C=CC(C)C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691068	0	52	0.0	-69.46	398.27	8.88	-60.58
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCOCC1	REAL300012691069	0	56	0.0	-65.81	421.45	8.04	-57.77
COC1CCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012691070	0	56	0.0	-74.89	414.02	10.00	-64.89
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCCOC1	REAL300012691071	0	56	0.0	-64.38	417.28	7.86	-56.52
CC1CCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012691072	0	55	0.0	-73.73	403.49	11.47	-62.26
CC1=CC(C(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(=O)[O-])=CC=C1F	REAL300012691073	0	55	0.0	-63.29	435.73	10.83	-52.46
CC1=CC(C(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(=O)[O-])=CC(C)=C1	REAL300012691074	0	58	0.0	-67.72	452.14	11.44	-56.28
CC1=CC=C(C(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(=O)[O-])C=C1C	REAL300012691075	0	58	0.0	-67.42	447.67	11.24	-56.18
CC1=CC=CC(C(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(=O)[O-])=C1C	REAL300012691076	0	58	0.0	-69.43	440.37	11.18	-58.25
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691077	0	51	0.0	-52.86	392.89	10.53	-42.33
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCC1	REAL300012691078	0	55	0.0	-57.19	404.33	10.82	-46.37
CCCN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(COC)C(=O)[O-]	REAL300012691079	0	58	0.0	-70.77	436.56	11.49	-59.28
CCCN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(CC)C(=O)[O-]	REAL300012691080	0	57	0.0	-69.66	421.11	12.21	-57.45
CC(C)C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691081	0	51	0.0	-68.27	388.59	8.57	-59.70
O=C([O-])C1CCCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691082	0	52	0.0	-73.42	383.34	11.10	-62.32
O=C([O-])C1CSCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691083	0	50	0.0	-72.39	382.79	10.99	-61.40
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCCCC1	REAL300012691084	0	55	0.0	-68.36	402.87	10.17	-58.19
O=C([O-])C1CCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691085	0	49	0.0	-74.40	374.02	9.46	-64.94
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCCC1	REAL300012691086	0	52	0.0	-71.82	387.81	9.04	-62.78
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCCCCC1	REAL300012691087	0	58	0.0	-72.37	408.76	10.87	-61.50
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691088	0	55	0.0	-69.99	431.66	11.04	-58.95
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691089	0	55	0.0	-56.97	429.88	12.77	-44.20
O=C([O-])[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012691090	0	52	0.0	-67.04	409.32	10.12	-56.92
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012691091	0	52	0.0	-66.13	408.99	10.13	-56.00
CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691092	0	48	0.0	-66.04	373.47	7.96	-58.08
CC(C)C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691093	0	51	0.0	-68.27	388.59	8.57	-59.70
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691094	0	45	0.0	-68.28	349.58	8.79	-59.49
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691095	0	55	0.0	-69.99	431.66	11.04	-58.95
CC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691096	0	45	0.0	-59.57	351.47	6.97	-52.60
CCC(C)C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691097	0	54	0.0	-70.08	408.46	9.17	-60.91
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691098	0	45	0.0	-68.28	349.58	8.79	-59.49
O=C([O-])C1CCCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691099	0	52	0.0	-73.42	383.34	11.10	-62.32
CCCC(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691100	0	54	0.0	-64.79	399.11	9.09	-55.70
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691101	0	51	0.0	-53.88	381.49	10.06	-43.82
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CC1	REAL300012691102	0	49	0.0	-40.41	366.03	10.91	-29.50
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691103	0	49	0.0	-52.74	384.20	10.33	-42.41
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691104	0	54	0.0	-52.31	407.32	10.83	-41.48
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691105	0	56	0.0	-74.98	421.60	13.05	-61.93
CC(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691106	0	48	0.0	-59.29	364.21	7.34	-51.95
CC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)(C(=O)[O-])C1CC1	REAL300012691107	0	52	0.0	-66.33	387.02	9.09	-57.24
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1=CC=CS1	REAL300012691108	0	49	0.0	-67.84	400.91	9.19	-58.65
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCCCC1	REAL300012691109	0	55	0.0	-68.36	402.87	10.17	-58.19
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691110	0	51	0.0	-53.88	381.49	10.06	-43.82
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691111	0	51	0.0	-52.86	392.89	10.53	-42.33
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691112	0	48	0.0	-68.45	371.41	9.77	-58.68
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691113	0	54	0.0	-69.77	404.63	8.93	-60.84
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCCC1	REAL300012691114	0	52	0.0	-71.82	387.81	9.04	-62.78
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691115	0	55	0.0	-55.27	436.29	12.84	-42.43
CCC(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691116	0	51	0.0	-64.59	377.60	8.33	-56.26
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC2=CC=CC=C2C1	REAL300012691117	0	56	0.0	-67.77	427.50	11.22	-56.55
CC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012691118	0	55	0.0	-66.14	416.82	10.83	-55.31
C[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691119	0	45	0.0	-58.90	351.09	6.98	-51.92
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691120	0	48	0.0	-68.45	371.41	9.77	-58.68
CCCCCCC(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691121	0	63	0.0	-64.93	463.60	11.43	-53.50
CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012691122	0	58	0.0	-68.70	440.97	13.00	-55.70
C[C@@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691123	0	45	0.0	-60.77	351.64	6.94	-53.83
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC1	REAL300012691124	0	46	0.0	-69.24	357.41	8.16	-61.08
O=C([O-])C1COCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691125	0	50	0.0	-71.98	375.20	8.49	-63.49
CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1(C(=O)[O-])CCCCC1	REAL300012691126	0	58	0.0	-69.93	412.19	11.55	-58.38
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CC1	REAL300012691127	0	49	0.0	-70.43	379.86	8.46	-61.97
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691128	0	58	0.0	-54.01	452.80	13.55	-40.46
CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012691129	0	55	0.0	-68.43	420.06	11.89	-56.54
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691130	0	52	0.0	-53.97	402.77	8.95	-45.02
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCC2=CC=CC=C21	REAL300012691131	0	56	0.0	-72.87	424.56	11.16	-61.71
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691132	0	49	0.0	-70.93	369.16	10.13	-60.80
O=C([O-])[C@H]1CCCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691133	0	52	0.0	-73.48	382.80	10.88	-62.60
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691134	0	48	0.0	-63.29	363.34	8.96	-54.33
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691135	0	49	0.0	-72.87	371.74	9.87	-63.00
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCC1	REAL300012691136	0	49	0.0	-72.02	374.62	8.66	-63.36
C=CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691137	0	49	0.0	-64.66	385.95	8.42	-56.24
CC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691138	0	52	0.0	-69.36	388.92	10.43	-58.93
O=C([O-])C1CCCCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691139	0	55	0.0	-70.12	395.87	11.43	-58.69
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CC1	REAL300012691140	0	49	0.0	-70.43	379.86	8.46	-61.97
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691141	0	48	0.0	-63.34	363.42	8.96	-54.38
CCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691142	0	54	0.0	-65.14	415.64	9.52	-55.62
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691143	0	58	0.0	-54.01	452.80	13.55	-40.46
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691144	0	52	0.0	-70.38	389.38	10.42	-59.96
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCCC1	REAL300012691145	0	55	0.0	-50.58	401.02	11.12	-39.46
COCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691146	0	49	0.0	-67.52	385.32	6.20	-61.32
CCCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691147	0	57	0.0	-65.02	437.14	10.30	-54.72
CCC1CCC(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012691148	0	61	0.0	-63.37	435.19	10.70	-52.67
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCOCC1	REAL300012691149	0	56	0.0	-52.61	416.10	9.68	-42.93
CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1(C(=O)[O-])CCCC1	REAL300012691150	0	55	0.0	-70.59	399.05	10.79	-59.80
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CC1	REAL300012691151	0	52	0.0	-55.99	383.46	10.99	-45.00
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CC1	REAL300012691152	0	55	0.0	-42.63	405.09	12.18	-30.45
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1=CC=CC=C1F	REAL300012691153	0	52	0.0	-75.44	413.96	10.13	-65.31
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691154	0	56	0.0	-55.91	424.06	12.46	-43.45
O=C([O-])C(CC1CCCCC1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691155	0	61	0.0	-66.00	453.65	11.23	-54.77
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691156	0	58	0.0	-57.14	443.78	13.21	-43.93
CC1=CC=C(C(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012691157	0	55	0.0	-69.05	430.65	10.72	-58.33
O=C([O-])C(CC(F)(F)F)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691158	0	48	0.0	-60.35	388.57	8.68	-51.67
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCSCC1	REAL300012691159	0	53	0.0	-64.16	400.22	9.86	-54.30
COCC(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691160	0	52	0.0	-69.04	395.85	7.62	-61.42
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691161	0	55	0.0	-64.61	416.31	9.44	-55.17
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691162	0	54	0.0	-52.31	407.32	10.83	-41.48
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CC1	REAL300012691163	0	49	0.0	-40.41	366.03	10.91	-29.50
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691164	0	51	0.0	-52.99	411.02	10.91	-42.08
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCOC1	REAL300012691165	0	50	0.0	-64.86	378.91	6.48	-58.38
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCCCC1	REAL300012691166	0	58	0.0	-67.07	426.70	10.16	-56.91
CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(COC1CCC1)C(=O)[O-]	REAL300012691167	0	59	0.0	-65.45	442.48	10.78	-54.67
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCOCC1	REAL300012691168	0	53	0.0	-66.94	394.04	7.70	-59.24
C=CCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691169	0	52	0.0	-65.00	406.94	9.31	-55.69
O=C([O-])C(CF)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691170	0	45	0.0	-56.94	355.09	6.98	-49.96
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691171	0	58	0.0	-46.47	439.41	13.53	-32.94
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691172	0	48	0.0	-63.34	363.42	8.96	-54.38
CCC(CC)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691173	0	54	0.0	-68.65	393.99	9.23	-59.42
COC1=CC=C(C(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012691174	0	56	0.0	-68.88	438.59	9.33	-59.55
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691175	0	54	0.0	-51.05	404.47	11.38	-39.67
CCC(COC)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691176	0	55	0.0	-70.23	412.53	8.52	-61.71
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691177	0	58	0.0	-65.26	436.05	10.08	-55.18
O=C([O-])C(CC1CC1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691178	0	52	0.0	-68.39	404.75	9.58	-58.81
COCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691179	0	52	0.0	-65.59	406.31	7.03	-58.56
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691180	0	57	0.0	-64.83	422.51	11.37	-53.46
O=C([O-])C(CC(F)F)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691181	0	48	0.0	-65.92	385.81	8.24	-57.68
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691182	0	58	0.0	-75.45	423.07	12.20	-63.25
CCCN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012691183	0	54	0.0	-49.43	402.87	10.73	-38.70
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691184	0	58	0.0	-43.80	428.67	13.99	-29.81
CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012691185	0	58	0.0	-66.62	433.91	11.68	-54.94
O=C([O-])C(CCF)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691186	0	48	0.0	-65.18	380.06	8.10	-57.08
COC1(CC(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012691187	0	59	0.0	-69.68	444.93	8.99	-60.69
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCOCC1	REAL300012691188	0	56	0.0	-52.61	416.10	9.68	-42.93
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCCCC1	REAL300012691189	0	58	0.0	-52.75	425.04	12.05	-40.70
C[C@H]1CC[C@@](NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012691190	0	58	0.0	-72.47	406.24	10.14	-62.33
COC1=CC=CC(C(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012691191	0	56	0.0	-69.21	438.51	9.35	-59.86
CC(CCF)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691192	0	51	0.0	-62.09	384.19	8.48	-53.61
O=C([O-])C1C2=C(CCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)OC=C2	REAL300012691193	0	53	0.0	-58.52	406.41	10.63	-47.89
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691194	0	49	0.0	-68.27	385.96	9.72	-58.55
COC1=CC=CC([C@H](NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012691195	0	56	0.0	-68.17	438.10	9.35	-58.82
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691196	0	48	0.0	-65.25	363.08	9.02	-56.23
CC1(C)CCCC(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012691197	0	61	0.0	-72.76	430.71	11.06	-61.70
O=C([O-])C12CC(C1)CN2C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691198	0	50	0.0	-76.83	378.49	10.53	-66.30
COC1CN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(C)(C(=O)[O-])C1	REAL300012691199	0	56	0.0	-69.73	422.14	9.39	-60.34
O=C([O-])C(CC1CCCOC1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691200	0	59	0.0	-65.41	444.54	8.86	-56.55
CC(C)(C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691201	0	54	0.0	-67.94	402.17	9.08	-58.86
C=C(Cl)CC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691202	0	49	0.0	-66.64	402.73	9.01	-57.63
C=C(C)CC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691203	0	52	0.0	-65.92	407.32	9.15	-56.77
O=C([O-])C12CCC(CC1)N2C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691204	0	53	0.0	-79.24	394.37	11.31	-67.93
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691205	0	49	0.0	-65.60	382.21	10.42	-55.18
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691206	0	49	0.0	-69.54	363.53	9.36	-60.18
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300012691207	0	50	0.0	-74.14	386.31	9.96	-64.18
O=C([O-])C(CC1CCOCC1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691208	0	59	0.0	-66.13	440.63	9.45	-56.68
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691209	0	54	0.0	-65.33	411.78	9.28	-56.05
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCOCC1	REAL300012691210	0	56	0.0	-65.81	421.45	8.04	-57.77
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012691211	0	52	0.0	-66.13	408.99	10.13	-56.00
O=C([O-])C(CC1CC1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691212	0	52	0.0	-68.39	404.75	9.58	-58.81
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691213	0	51	0.0	-65.85	417.09	8.15	-57.70
CC(C)CCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691214	0	60	0.0	-65.88	455.54	10.80	-55.08
O=C([O-])C(CC1CCCO1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691215	0	56	0.0	-71.57	429.04	8.42	-63.15
CSCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691216	0	49	0.0	-62.85	396.27	8.41	-54.44
COC[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691217	0	49	0.0	-66.25	384.80	6.26	-59.99
CC[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691218	0	48	0.0	-64.56	372.84	8.04	-56.52
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691219	0	55	0.0	-65.22	437.93	11.11	-54.11
CCC(C)CC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691220	0	57	0.0	-66.23	430.41	9.92	-56.31
C=CCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691221	0	55	0.0	-64.76	428.45	10.08	-54.68
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691222	0	55	0.0	-64.58	437.86	11.06	-53.52
O=C([O-])C1CSCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691223	0	50	0.0	-72.39	382.79	10.99	-61.40
CC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012691224	0	55	0.0	-66.14	416.82	10.83	-55.31
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691225	0	49	0.0	-70.93	369.16	10.13	-60.80
CCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691226	0	51	0.0	-65.14	394.13	8.75	-56.39
CC(C)[C@@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691227	0	51	0.0	-68.42	384.91	8.37	-60.05
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691228	0	53	0.0	-76.98	394.20	11.50	-65.48
CCN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012691229	0	54	0.0	-70.56	397.48	10.76	-59.80
CCCN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012691230	0	54	0.0	-49.43	402.87	10.73	-38.70
O=C([O-])CN(CC(F)(F)F)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691231	0	48	0.0	-63.52	387.53	10.06	-53.46
O=C([O-])CN(CC(F)(F)F)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691232	0	48	0.0	-63.52	387.53	10.06	-53.46
CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012691233	0	51	0.0	-70.71	378.60	9.87	-60.84
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691234	0	49	0.0	-72.87	371.74	9.87	-63.00
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691235	0	50	0.0	-73.77	378.72	6.20	-67.57
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691236	0	56	0.0	-52.76	427.47	12.79	-39.97
CCC[C@@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691237	0	51	0.0	-66.01	394.89	8.73	-57.28
O=C([O-])[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012691238	0	52	0.0	-67.04	409.32	10.12	-56.92
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691239	0	57	0.0	-70.87	449.52	10.05	-60.82
C=CCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691240	0	52	0.0	-65.00	406.94	9.31	-55.69
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691241	0	51	0.0	-67.90	417.91	7.96	-59.94
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691242	0	52	0.0	-81.66	402.10	7.42	-74.24
CN1CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC1=O	REAL300012691243	0	53	0.0	-66.09	399.97	9.13	-56.96
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691244	0	52	0.0	-72.96	388.93	10.42	-62.54
CC(C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691245	0	51	0.0	-63.45	387.25	8.51	-54.94
O=C([O-])[C@@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012691246	0	52	0.0	-66.62	409.21	10.04	-56.58
CC(CN1C=CC=N1)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691247	0	55	0.0	-64.64	423.05	9.43	-55.21
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691248	0	48	0.0	-65.25	363.08	9.02	-56.23
CCC[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691249	0	51	0.0	-67.50	393.66	8.73	-58.77
CCN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012691250	0	51	0.0	-68.99	384.92	10.53	-58.46
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCCC1	REAL300012691251	0	55	0.0	-50.58	401.02	11.12	-39.46
CC(CN(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691252	0	51	0.0	-72.59	384.94	9.69	-62.90
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691253	0	54	0.0	-69.77	404.63	8.93	-60.84
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691254	0	51	0.0	-63.22	383.50	9.96	-53.26
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC(CO)C1	REAL300012691255	0	53	0.0	-76.66	405.05	5.86	-70.80
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691256	0	61	0.0	-70.79	455.66	9.25	-61.54
CC1CCC(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012691257	0	55	0.0	-68.65	409.44	9.70	-58.95
CC1(C)CCCC1(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691258	0	58	0.0	-69.12	417.31	10.32	-58.80
COCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691259	0	52	0.0	-65.59	406.31	7.03	-58.56
CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012691260	0	58	0.0	-68.70	440.97	13.00	-55.70
CC1(C)CC(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012691261	0	55	0.0	-68.98	410.43	10.38	-58.60
CC1(C(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(=O)[O-])CC1	REAL300012691262	0	52	0.0	-68.46	396.99	9.33	-59.13
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691263	0	61	0.0	-69.59	456.00	9.29	-60.30
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691264	0	50	0.0	-80.18	383.06	6.38	-73.80
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCOC1	REAL300012691265	0	53	0.0	-67.54	407.92	7.10	-60.44
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691266	0	53	0.0	-77.76	394.22	10.99	-66.77
O=C([O-])C12COC(CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C2	REAL300012691267	0	51	0.0	-72.88	386.34	8.79	-64.09
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300012691268	0	55	0.0	-74.26	404.81	11.78	-62.48
CC(C1=CC=CC=C1)C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691269	0	58	0.0	-68.29	446.94	11.35	-56.94
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691270	0	59	0.0	-69.20	446.07	11.09	-58.11
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCC1	REAL300012691271	0	52	0.0	-69.48	393.51	8.94	-60.54
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCCCC1	REAL300012691272	0	58	0.0	-67.07	426.70	10.16	-56.91
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCC1	REAL300012691273	0	52	0.0	-69.48	393.51	8.94	-60.54
CC1CCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1C(=O)[O-]	REAL300012691274	0	52	0.0	-71.02	393.21	10.18	-60.84
C=CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691275	0	49	0.0	-64.66	385.95	8.42	-56.24
O=C([O-])C(CC1CCCCO1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691276	0	59	0.0	-68.46	447.31	9.16	-59.30
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691277	0	59	0.0	-50.24	419.19	11.66	-38.58
CC1(C)CC(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)(C(=O)[O-])CCO1	REAL300012691278	0	59	0.0	-67.81	422.86	8.98	-58.83
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691279	0	53	0.0	-52.15	394.55	10.83	-41.32
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691280	0	59	0.0	-69.20	446.07	11.09	-58.11
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691281	0	55	0.0	-68.22	437.98	11.11	-57.11
COC1CC(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012691282	0	53	0.0	-71.90	407.98	7.64	-64.26
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC(F)(F)C1	REAL300012691283	0	49	0.0	-67.16	382.51	8.69	-58.47
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012691284	0	53	0.0	-68.35	406.28	7.95	-60.40
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1(C(F)(F)F)CC1	REAL300012691285	0	52	0.0	-68.33	411.23	9.67	-58.66
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691286	0	55	0.0	-73.73	404.70	11.59	-62.14
O=C([O-])C(CC(F)(F)F)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691287	0	48	0.0	-60.35	388.57	8.68	-51.67
O=C([O-])C(CC1CCOC1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691288	0	56	0.0	-71.66	427.28	7.97	-63.69
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)COC1	REAL300012691289	0	47	0.0	-63.31	365.20	5.70	-57.61
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691290	0	52	0.0	-68.48	422.42	10.04	-58.44
CC(C)C(C)(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691291	0	54	0.0	-68.17	392.54	8.95	-59.22
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691292	0	50	0.0	-75.77	375.55	11.59	-64.18
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691293	0	53	0.0	-73.16	391.83	11.00	-62.16
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691294	0	58	0.0	-43.80	428.67	13.99	-29.81
O=C([O-])C(CC1CCCCC1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691295	0	61	0.0	-66.00	453.65	11.23	-54.77
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691296	0	58	0.0	-66.23	454.49	11.76	-54.47
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691297	0	58	0.0	-67.21	454.80	11.76	-55.45
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CC2CCC1C2	REAL300012691298	0	59	0.0	-71.53	435.76	10.61	-60.92
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691299	0	61	0.0	-65.08	452.97	11.26	-53.82
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691300	0	61	0.0	-66.54	453.89	11.16	-55.38
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691301	0	59	0.0	-49.02	434.30	11.87	-37.15
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691302	0	59	0.0	-74.89	421.39	11.35	-63.54
C=CCSCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691303	0	53	0.0	-63.75	431.21	9.83	-53.92
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691304	0	54	0.0	-69.95	399.75	11.50	-58.45
COC1(C(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012691305	0	56	0.0	-63.14	420.15	7.60	-55.54
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC(C(F)F)C1	REAL300012691306	0	52	0.0	-67.90	408.47	9.57	-58.33
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691308	0	49	0.0	-69.54	363.53	9.36	-60.18
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691309	0	51	0.0	-51.12	389.37	10.58	-40.54
CC1(C)CCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1C(=O)[O-]	REAL300012691310	0	55	0.0	-72.56	408.25	10.52	-62.04
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691311	0	59	0.0	-72.62	418.86	13.15	-59.47
CC(C)CCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691312	0	57	0.0	-65.32	433.21	10.03	-55.29
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691313	0	56	0.0	-51.56	419.24	11.38	-40.18
O=C([O-])C(CC1CCOC1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691314	0	56	0.0	-71.66	427.28	7.97	-63.69
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300012691315	0	53	0.0	-73.27	409.80	11.05	-62.22
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCCC2CC21	REAL300012691316	0	56	0.0	-67.95	411.46	10.56	-57.39
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCC2CC21	REAL300012691317	0	53	0.0	-70.06	395.97	9.90	-60.16
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC2(CCC2)C1	REAL300012691318	0	56	0.0	-70.75	417.33	10.32	-60.43
CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012691319	0	58	0.0	-65.92	442.42	12.94	-52.98
O=C([O-])C1CC2(CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)CCCCC2	REAL300012691320	0	62	0.0	-48.68	448.26	12.37	-36.31
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCCC1	REAL300012691321	0	55	0.0	-65.31	409.41	9.51	-55.80
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691322	0	52	0.0	-66.31	403.08	7.21	-59.10
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691323	0	52	0.0	-73.47	396.62	9.72	-63.75
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691324	0	55	0.0	-56.97	429.88	12.77	-44.20
CC1(C)CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300012691325	0	55	0.0	-51.49	413.50	10.50	-40.99
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691326	0	52	0.0	-72.16	394.77	11.00	-61.16
O=C([O-])C1N(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCC1(F)F	REAL300012691327	0	49	0.0	-78.02	383.80	10.02	-68.00
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691328	0	55	0.0	-68.22	437.98	11.11	-57.11
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691329	0	52	0.0	-66.04	422.64	9.90	-56.14
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691330	0	52	0.0	-66.47	400.91	10.53	-55.94
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691331	0	52	0.0	-66.04	422.64	9.90	-56.14
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691332	0	56	0.0	-75.72	409.78	10.95	-64.77
COCCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691333	0	55	0.0	-64.78	427.81	7.81	-56.97
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691334	0	54	0.0	-64.17	405.39	10.72	-53.45
CCOCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691335	0	52	0.0	-67.16	406.69	7.16	-60.00
CC(C)(C)CC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691336	0	57	0.0	-69.35	424.23	10.44	-58.91
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CCCCO1	REAL300012691337	0	56	0.0	-67.94	424.33	8.53	-59.41
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC2=CC=CC=C2C1	REAL300012691338	0	56	0.0	-67.77	427.50	11.22	-56.55
C[C@H]1OCCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)[C@@H]1C(=O)[O-]	REAL300012691339	0	53	0.0	-76.21	380.41	8.85	-67.36
N#CCCC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691340	0	49	0.0	-67.93	394.32	8.46	-59.47
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691341	0	52	0.0	-57.54	411.60	10.91	-46.63
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300012691342	0	48	0.0	-63.29	363.34	8.96	-54.33
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300012691343	0	56	0.0	-71.32	421.02	9.94	-61.38
CC(C)C[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691344	0	51	0.0	-68.09	393.94	7.90	-60.19
C=CCOCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691345	0	50	0.0	-69.50	402.13	6.42	-63.08
C=CC(C)C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691346	0	49	0.0	-64.85	387.18	7.74	-57.11
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCOCC1	REAL300012691347	0	53	0.0	-72.23	400.15	6.37	-65.86
COC1CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012691348	0	53	0.0	-78.72	398.01	8.59	-70.13
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCCOC1	REAL300012691349	0	53	0.0	-66.83	411.26	6.87	-59.96
CC1CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012691350	0	52	0.0	-77.51	379.68	9.95	-67.56
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691351	0	48	0.0	-43.41	375.08	9.15	-34.26
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCC1	REAL300012691352	0	52	0.0	-50.94	388.73	9.47	-41.47
CCCN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(COC)C(=O)[O-]	REAL300012691353	0	55	0.0	-66.37	413.27	8.70	-57.67
CCCN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(CC)C(=O)[O-]	REAL300012691354	0	54	0.0	-65.34	403.39	10.16	-55.18
CC(C)C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691355	0	48	0.0	-64.36	366.78	6.89	-57.47
O=C([O-])C1CCCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691356	0	49	0.0	-78.98	365.92	9.75	-69.23
O=C([O-])C1CSCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691357	0	47	0.0	-76.46	365.48	9.51	-66.95
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCCCC1	REAL300012691358	0	52	0.0	-73.04	385.15	8.80	-64.24
O=C([O-])C1CCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691359	0	46	0.0	-72.41	354.39	8.49	-63.92
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCCC1	REAL300012691360	0	49	0.0	-69.99	370.11	7.66	-62.33
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCCCCC1	REAL300012691361	0	55	0.0	-74.45	390.82	9.46	-64.99
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691362	0	52	0.0	-70.20	413.89	9.66	-60.54
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691363	0	52	0.0	-43.09	412.58	11.40	-31.69
O=C([O-])[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012691364	0	49	0.0	-67.21	391.92	8.67	-58.54
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012691365	0	49	0.0	-66.47	391.78	8.66	-57.81
CCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691366	0	45	0.0	-68.36	355.65	6.58	-61.78
CC(C)C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691367	0	48	0.0	-64.36	366.78	6.89	-57.47
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691368	0	42	0.0	-67.58	331.77	7.41	-60.17
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691369	0	52	0.0	-70.20	413.89	9.66	-60.54
CC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691370	0	42	0.0	-57.44	333.82	5.56	-51.88
CCC(C)C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691371	0	51	0.0	-65.00	385.24	7.52	-57.48
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691372	0	42	0.0	-67.58	331.77	7.41	-60.17
O=C([O-])C1CCCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691373	0	49	0.0	-78.98	365.92	9.75	-69.23
CCCC(C)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691374	0	51	0.0	-65.55	381.29	7.72	-57.83
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691375	0	48	0.0	-44.74	363.63	8.67	-36.07
O=C([O-])CN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CC1	REAL300012691376	0	46	0.0	-46.30	357.37	8.92	-37.38
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691377	0	46	0.0	-43.14	366.39	8.95	-34.19
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691378	0	51	0.0	-43.20	389.74	9.67	-33.53
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691379	0	53	0.0	-78.92	403.31	11.67	-67.25
CC(C)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691380	0	45	0.0	-55.20	346.40	5.96	-49.24
CC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)(C(=O)[O-])C1CC1	REAL300012691381	0	49	0.0	-68.35	369.16	7.74	-60.61
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1=CC=CS1	REAL300012691382	0	46	0.0	-65.02	383.54	7.75	-57.27
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCCCC1	REAL300012691383	0	52	0.0	-73.04	385.15	8.80	-64.24
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691384	0	48	0.0	-44.74	363.63	8.67	-36.07
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691385	0	48	0.0	-43.41	375.08	9.15	-34.26
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691386	0	45	0.0	-67.14	353.26	8.41	-58.73
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691387	0	51	0.0	-68.20	386.04	7.62	-60.58
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCCC1	REAL300012691388	0	49	0.0	-69.99	370.11	7.66	-62.33
CCC(C)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691389	0	48	0.0	-65.32	359.79	6.96	-58.36
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC2=CC=CC=C2C1	REAL300012691390	0	53	0.0	-72.02	411.41	9.96	-62.06
CC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012691391	0	52	0.0	-67.41	400.16	9.46	-57.95
C[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691392	0	42	0.0	-57.28	333.92	5.58	-51.70
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691393	0	45	0.0	-67.14	353.26	8.41	-58.73
CCCCCCC(C)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691394	0	60	0.0	-65.69	445.78	10.05	-55.64
C[C@@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691395	0	42	0.0	-58.91	344.96	6.04	-52.87
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1	REAL300012691396	0	43	0.0	-74.47	339.85	6.81	-67.66
O=C([O-])C1COCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691397	0	47	0.0	-75.61	357.01	7.07	-68.54
CN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1(C(=O)[O-])CCCCC1	REAL300012691398	0	55	0.0	-71.96	392.87	9.93	-62.03
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CC1	REAL300012691399	0	46	0.0	-67.54	362.12	7.09	-60.45
CN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012691400	0	52	0.0	-64.04	402.57	10.55	-53.49
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691401	0	49	0.0	-43.63	384.96	7.57	-36.06
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCC2=CC=CC=C21	REAL300012691402	0	53	0.0	-70.87	406.55	9.72	-61.15
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691403	0	46	0.0	-73.70	355.30	8.18	-65.52
O=C([O-])[C@H]1CCCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691404	0	49	0.0	-78.06	366.26	9.66	-68.40
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691405	0	45	0.0	-62.38	345.48	7.60	-54.78
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691406	0	46	0.0	-69.67	365.58	8.98	-60.69
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCC1	REAL300012691407	0	46	0.0	-71.16	356.81	7.30	-63.86
C=CCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691408	0	46	0.0	-68.08	368.93	7.03	-61.05
CC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691409	0	49	0.0	-75.33	371.36	9.07	-66.26
O=C([O-])C1CCCCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691410	0	52	0.0	-71.80	380.00	9.83	-61.97
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CC1	REAL300012691411	0	46	0.0	-67.54	362.12	7.09	-60.45
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691412	0	45	0.0	-63.75	346.17	7.54	-56.21
CCCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691413	0	51	0.0	-68.25	398.65	8.13	-60.12
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691414	0	49	0.0	-72.02	371.56	9.03	-62.99
O=C([O-])CN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCCC1	REAL300012691415	0	52	0.0	-43.28	389.81	9.98	-33.30
COCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691416	0	46	0.0	-69.10	367.51	4.82	-64.28
CCCCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691417	0	54	0.0	-68.26	420.15	8.91	-59.35
CCC1CCC(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012691418	0	58	0.0	-70.93	424.11	10.07	-60.86
O=C([O-])CN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCOCC1	REAL300012691419	0	53	0.0	-42.90	398.40	8.30	-34.60
CN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1(C(=O)[O-])CCCC1	REAL300012691420	0	52	0.0	-72.82	379.50	9.27	-63.55
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CC1	REAL300012691421	0	49	0.0	-53.94	383.72	9.49	-44.45
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CC1	REAL300012691422	0	52	0.0	-67.82	388.66	10.19	-57.63
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1=CC=CC=C1F	REAL300012691423	0	49	0.0	-72.08	396.02	8.81	-63.27
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691424	0	53	0.0	-49.14	405.77	11.03	-38.11
O=C([O-])C(CC1CCCCC1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691425	0	58	0.0	-68.93	435.85	9.84	-59.09
CC1=CC=C(C(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012691426	0	52	0.0	-68.31	413.28	9.33	-58.98
O=C([O-])C(CC(F)(F)F)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691427	0	45	0.0	-61.47	371.34	7.36	-54.11
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCSCC1	REAL300012691428	0	50	0.0	-67.43	382.72	8.52	-58.91
COCC(C)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691429	0	49	0.0	-70.06	378.03	6.24	-63.82
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691430	0	52	0.0	-65.30	398.65	7.98	-57.32
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691431	0	51	0.0	-43.20	389.74	9.67	-33.53
O=C([O-])CN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CC1	REAL300012691432	0	46	0.0	-46.30	357.37	8.92	-37.38
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691433	0	48	0.0	-44.09	393.21	9.53	-34.56
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCOC1	REAL300012691434	0	47	0.0	-67.55	361.22	5.10	-62.45
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCCCC1	REAL300012691435	0	55	0.0	-69.59	408.72	8.87	-60.72
CN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(COC1CCC1)C(=O)[O-]	REAL300012691436	0	56	0.0	-62.92	423.75	9.26	-53.66
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCOCC1	REAL300012691437	0	50	0.0	-72.38	376.47	6.35	-66.03
C=CCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691438	0	49	0.0	-67.77	389.72	7.97	-59.80
O=C([O-])C(CF)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691439	0	42	0.0	-55.35	337.76	5.56	-49.79
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691440	0	45	0.0	-63.75	346.17	7.54	-56.21
CCC(CC)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691441	0	51	0.0	-69.55	376.17	7.85	-61.70
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691442	0	51	0.0	-43.18	385.67	9.89	-33.29
CCC(COC)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691443	0	52	0.0	-74.46	394.47	7.16	-67.30
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691444	0	55	0.0	-65.15	418.31	8.65	-56.50
O=C([O-])C(CC1CC1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691445	0	49	0.0	-65.35	387.26	8.14	-57.21
COCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691446	0	49	0.0	-68.74	389.32	5.64	-63.10
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691447	0	54	0.0	-64.85	404.48	9.96	-54.89
O=C([O-])C(CC(F)F)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691448	0	45	0.0	-68.43	367.76	6.93	-61.50
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691449	0	55	0.0	-78.77	405.30	10.93	-67.84
CCCN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012691450	0	51	0.0	-46.43	395.78	10.67	-35.76
O=C([O-])C(CCF)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691451	0	45	0.0	-67.59	362.24	6.72	-60.87
COC1(CC(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012691452	0	56	0.0	-70.49	424.09	7.72	-62.77
O=C([O-])CN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCOCC1	REAL300012691453	0	53	0.0	-42.90	398.40	8.30	-34.60
O=C([O-])CN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCCCC1	REAL300012691454	0	55	0.0	-48.30	407.41	10.67	-37.63
C[C@H]1CC[C@@](NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012691455	0	55	0.0	-71.12	398.89	9.20	-61.92
CC(CCF)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691456	0	48	0.0	-62.66	366.38	7.09	-55.57
O=C([O-])C1C2=C(CCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)OC=C2	REAL300012691457	0	50	0.0	-47.48	387.07	9.03	-38.45
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691458	0	46	0.0	-64.54	378.77	8.80	-55.74
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691459	0	45	0.0	-64.18	345.70	7.59	-56.59
CC1(C)CCCC(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012691460	0	58	0.0	-71.12	412.00	9.62	-61.50
O=C([O-])C12CC(C1)CN2C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691461	0	47	0.0	-78.23	357.98	9.06	-69.17
COC1CN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C(C)(C(=O)[O-])C1	REAL300012691462	0	53	0.0	-73.38	404.68	8.04	-65.34
O=C([O-])C(CC1CCCOC1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691463	0	56	0.0	-67.40	426.80	7.48	-59.92
CC(C)(C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691464	0	51	0.0	-65.65	397.58	8.17	-57.48
C=C(Cl)CC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691465	0	46	0.0	-62.66	383.88	7.77	-54.89
C=C(C)CC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691466	0	49	0.0	-69.04	388.55	7.95	-61.09
O=C([O-])C12CCC(CC1)N2C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691467	0	50	0.0	-84.11	376.60	9.91	-74.20
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691468	0	46	0.0	-69.07	368.23	8.37	-60.70
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691469	0	46	0.0	-71.14	371.49	9.06	-62.08
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300012691470	0	47	0.0	-75.53	368.49	8.60	-66.93
O=C([O-])C(CC1CCOCC1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691471	0	56	0.0	-68.97	422.66	8.12	-60.85
CC(C)C[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691472	0	51	0.0	-68.09	393.94	7.90	-60.19
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCOCC1	REAL300012691473	0	53	0.0	-72.23	400.15	6.37	-65.86
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012691474	0	49	0.0	-66.47	391.78	8.66	-57.81
O=C([O-])C(CC1CC1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691475	0	49	0.0	-65.35	387.26	8.14	-57.21
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691476	0	48	0.0	-64.21	400.62	6.77	-57.44
CC(C)CCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691477	0	57	0.0	-67.92	437.48	9.49	-58.43
O=C([O-])C(CC1CCCO1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691478	0	53	0.0	-70.85	411.93	6.98	-63.87
CSCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691479	0	46	0.0	-64.77	379.35	6.92	-57.85
COC[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691480	0	46	0.0	-68.90	367.38	4.85	-64.05
CC[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691481	0	45	0.0	-67.27	354.91	6.61	-60.66
CCC(C)CC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691482	0	54	0.0	-68.70	412.06	8.57	-60.13
C=CCCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691483	0	52	0.0	-68.53	411.46	8.69	-59.84
O=C([O-])C1CSCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691484	0	47	0.0	-76.46	365.48	9.51	-66.95
CC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012691485	0	52	0.0	-67.41	400.16	9.46	-57.95
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691486	0	46	0.0	-73.70	355.30	8.18	-65.52
CCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691487	0	48	0.0	-67.81	376.91	7.41	-60.40
CC(C)[C@@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691488	0	48	0.0	-65.32	370.87	7.21	-58.11
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691489	0	50	0.0	-75.89	387.03	10.53	-65.36
CCN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012691490	0	51	0.0	-71.40	380.15	9.34	-62.06
CCCN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012691491	0	51	0.0	-46.43	395.78	10.67	-35.76
O=C([O-])CN(CC(F)(F)F)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691492	0	45	0.0	-62.49	368.09	8.64	-53.85
O=C([O-])CN(CC(F)(F)F)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691493	0	45	0.0	-62.49	368.09	8.64	-53.85
CN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012691494	0	48	0.0	-71.50	360.99	8.36	-63.14
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691495	0	46	0.0	-69.67	365.58	8.98	-60.69
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691496	0	47	0.0	-78.35	366.51	4.76	-73.59
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691497	0	53	0.0	-73.91	404.28	12.19	-61.72
CCC[C@@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691498	0	48	0.0	-67.66	388.29	7.83	-59.83
O=C([O-])[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012691499	0	49	0.0	-67.21	391.92	8.67	-58.54
C=CCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691500	0	49	0.0	-67.77	389.72	7.97	-59.80
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691501	0	48	0.0	-72.09	400.60	6.59	-65.50
CN1CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1=O	REAL300012691502	0	50	0.0	-68.77	381.08	7.59	-61.18
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691503	0	49	0.0	-69.32	382.10	9.49	-59.83
CC(C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691504	0	48	0.0	-63.46	377.91	7.37	-56.09
O=C([O-])[C@@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012691505	0	49	0.0	-65.27	402.32	9.16	-56.11
CC(CN1C=CC=N1)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691506	0	52	0.0	-71.46	401.27	7.99	-63.47
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691507	0	45	0.0	-64.18	345.70	7.59	-56.59
CCC[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691508	0	48	0.0	-67.26	376.41	7.37	-59.89
CCN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012691509	0	48	0.0	-63.98	364.50	8.33	-55.65
O=C([O-])CN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCCC1	REAL300012691510	0	52	0.0	-43.28	389.81	9.98	-33.30
CC(CN(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691511	0	48	0.0	-70.93	366.88	8.08	-62.85
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691512	0	51	0.0	-68.20	386.04	7.62	-60.58
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691513	0	48	0.0	-64.90	366.13	8.73	-56.17
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC(CO)C1	REAL300012691514	0	50	0.0	-76.10	387.36	4.48	-71.62
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691515	0	58	0.0	-69.74	440.15	7.87	-61.87
CC1CCC(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012691516	0	52	0.0	-72.78	391.72	8.32	-64.46
CC1(C)CCCC1(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691517	0	55	0.0	-72.81	401.19	9.05	-63.76
COCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691518	0	49	0.0	-68.74	389.32	5.64	-63.10
CC1(C)CC(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012691519	0	52	0.0	-74.60	392.85	9.02	-65.58
CC1(C(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C(=O)[O-])CC1	REAL300012691520	0	49	0.0	-70.23	390.39	8.43	-61.80
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691521	0	58	0.0	-65.55	438.59	7.79	-57.76
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691522	0	47	0.0	-81.07	365.14	4.97	-76.10
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCOC1	REAL300012691523	0	50	0.0	-63.33	399.02	6.12	-57.21
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691524	0	50	0.0	-75.73	386.59	10.10	-65.63
O=C([O-])C12COC(CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C2	REAL300012691525	0	48	0.0	-77.40	369.91	7.16	-70.24
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300012691526	0	52	0.0	-78.41	387.49	10.37	-68.04
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691527	0	56	0.0	-68.82	423.63	10.45	-58.37
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCC1	REAL300012691528	0	49	0.0	-66.29	375.41	7.56	-58.73
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCCCC1	REAL300012691529	0	55	0.0	-69.59	408.72	8.87	-60.72
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCC1	REAL300012691530	0	49	0.0	-66.29	375.41	7.56	-58.73
CC1CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1C(=O)[O-]	REAL300012691531	0	49	0.0	-74.56	370.45	8.69	-65.87
C=CCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691532	0	46	0.0	-68.08	368.93	7.03	-61.05
O=C([O-])C(CC1CCCCO1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691533	0	56	0.0	-72.16	429.95	7.77	-64.39
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691534	0	56	0.0	-46.13	413.20	10.81	-35.32
CC1(C)CC(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)(C(=O)[O-])CCO1	REAL300012691535	0	56	0.0	-73.86	405.76	7.56	-66.30
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691536	0	50	0.0	-35.85	377.29	9.52	-26.33
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691537	0	56	0.0	-68.82	423.63	10.45	-58.37
COC1CC(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012691538	0	50	0.0	-76.57	390.18	6.26	-70.31
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC(F)(F)C1	REAL300012691539	0	46	0.0	-71.19	365.08	7.35	-63.84
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012691540	0	50	0.0	-63.43	398.49	6.65	-56.78
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691541	0	52	0.0	-73.23	387.50	10.20	-63.03
O=C([O-])C(CC(F)(F)F)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691542	0	45	0.0	-61.47	371.34	7.36	-54.11
O=C([O-])C(CC1CCOC1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691543	0	53	0.0	-63.75	404.66	6.12	-57.63
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)COC1	REAL300012691544	0	44	0.0	-66.87	347.59	4.34	-62.53
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691545	0	49	0.0	-67.16	405.95	8.66	-58.50
CC(C)C(C)(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691546	0	51	0.0	-66.59	376.52	7.65	-58.94
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691547	0	47	0.0	-73.33	371.91	10.16	-63.17
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691548	0	50	0.0	-70.10	387.70	9.73	-60.37
O=C([O-])C(CC1CCCCC1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691549	0	58	0.0	-68.93	435.85	9.84	-59.09
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CC2CCC1C2	REAL300012691550	0	56	0.0	-68.67	427.23	9.73	-58.94
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691551	0	58	0.0	-65.54	434.75	9.83	-55.71
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691552	0	58	0.0	-68.70	435.62	9.88	-58.82
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691553	0	56	0.0	-42.58	416.27	10.46	-32.12
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691554	0	56	0.0	-76.35	412.03	10.30	-66.05
C=CCSCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691555	0	50	0.0	-64.26	413.39	8.45	-55.81
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691556	0	51	0.0	-64.90	381.46	9.31	-55.59
COC1(C(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012691557	0	53	0.0	-63.56	401.63	6.21	-57.35
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC(C(F)F)C1	REAL300012691558	0	49	0.0	-66.95	390.78	8.19	-58.76
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691560	0	46	0.0	-71.14	371.49	9.06	-62.08
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691561	0	48	0.0	-36.45	370.64	9.14	-27.31
CC1(C)CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1C(=O)[O-]	REAL300012691562	0	52	0.0	-73.61	386.78	9.44	-64.17
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691563	0	56	0.0	-77.77	411.20	11.36	-66.41
CC(C)CCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691564	0	54	0.0	-68.63	416.22	8.64	-59.99
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691565	0	53	0.0	-36.89	402.34	9.80	-27.09
O=C([O-])C(CC1CCOC1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691566	0	53	0.0	-63.75	404.66	6.12	-57.63
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300012691567	0	50	0.0	-67.14	408.31	10.17	-56.97
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCCC2CC21	REAL300012691568	0	53	0.0	-74.85	391.11	9.45	-65.40
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCC2CC21	REAL300012691569	0	50	0.0	-74.45	378.24	8.54	-65.91
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC2(CCC2)C1	REAL300012691570	0	53	0.0	-70.57	399.50	8.93	-61.64
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCCC1	REAL300012691571	0	52	0.0	-69.65	391.86	8.11	-61.54
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691572	0	49	0.0	-68.02	385.26	5.84	-62.18
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691573	0	49	0.0	-74.90	378.58	8.35	-66.55
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691574	0	52	0.0	-43.09	412.58	11.40	-31.69
CC1(C)CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300012691575	0	52	0.0	-42.86	394.31	9.28	-33.58
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691576	0	49	0.0	-77.60	376.75	9.75	-67.85
O=C([O-])C1N(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCC1(F)F	REAL300012691577	0	46	0.0	-77.06	366.12	8.62	-68.44
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691578	0	49	0.0	-68.74	405.02	8.52	-60.22
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691579	0	49	0.0	-66.01	383.59	9.15	-56.86
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691580	0	49	0.0	-68.74	405.02	8.52	-60.22
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691581	0	53	0.0	-74.82	402.92	10.08	-64.74
COCCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691582	0	52	0.0	-66.69	410.58	6.48	-60.21
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691583	0	51	0.0	-64.78	388.63	9.49	-55.29
CCOCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691584	0	49	0.0	-69.09	389.23	5.85	-63.24
CC(C)(C)CC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691585	0	54	0.0	-66.07	406.57	8.98	-57.09
O=C([O-])C(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CCCCO1	REAL300012691586	0	53	0.0	-69.13	406.01	6.75	-62.38
O=C([O-])C1(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC2=CC=CC=C2C1	REAL300012691587	0	53	0.0	-72.02	411.41	9.96	-62.06
C[C@H]1OCCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)[C@@H]1C(=O)[O-]	REAL300012691588	0	50	0.0	-72.44	388.30	8.59	-63.85
N#CCCC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300012691589	0	46	0.0	-70.69	376.26	7.15	-63.54
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691590	0	49	0.0	-49.58	394.34	9.54	-40.04
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300012691591	0	45	0.0	-62.38	345.48	7.60	-54.78
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300012691592	0	53	0.0	-71.75	408.63	8.56	-63.19
CN(CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012691770	0	61	0.0	-60.89	459.14	8.63	-52.26
CC(C)C[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691903	0	51	0.0	-73.52	396.05	8.73	-64.79
CC(C)C[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691903	1	51	0.0	-73.90	397.13	8.67	-65.23
C=CCOCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691904	0	50	0.0	-77.10	404.79	7.16	-69.94
C=CCOCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691904	1	50	0.0	-76.09	404.40	7.12	-68.97
C=CC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691905	0	49	0.0	-71.95	388.10	8.52	-63.43
C=CC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691905	1	49	0.0	-74.15	389.32	8.48	-65.67
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300012691906	0	53	0.0	-78.82	402.64	7.16	-71.66
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300012691906	1	53	0.0	-76.35	408.37	7.41	-68.94
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(F)C(F)=C1	REAL300012691907	0	49	0.0	-71.66	406.72	9.64	-62.02
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(F)C(F)=C1	REAL300012691907	1	49	0.0	-69.10	407.01	9.64	-59.46
COC1CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012691908	0	53	0.0	-84.88	398.19	9.37	-75.51
COC1CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012691908	1	53	0.0	-84.13	400.42	9.29	-74.84
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCOC1	REAL300012691909	0	53	0.0	-72.01	401.96	7.26	-64.75
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCOC1	REAL300012691909	1	53	0.0	-73.37	402.27	7.26	-66.11
CC1CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012691910	0	52	0.0	-83.14	380.47	10.66	-72.48
CC1CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012691910	1	52	0.0	-84.53	382.43	10.88	-73.65
CC1=CC(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=CC=C1F	REAL300012691911	0	52	0.0	-72.67	420.33	10.16	-62.51
CC1=CC(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=CC=C1F	REAL300012691911	1	52	0.0	-72.20	421.24	10.14	-62.06
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C2OCCC2=C1	REAL300012691912	0	54	0.0	-75.54	430.38	9.28	-66.26
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C2OCCC2=C1	REAL300012691912	1	54	0.0	-75.86	429.85	9.24	-66.62
CC1=CC(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300012691913	0	55	0.0	-74.94	436.63	10.79	-64.15
CC1=CC(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300012691913	1	55	0.0	-76.46	436.74	10.72	-65.74
CC1=CC=C(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300012691914	0	55	0.0	-76.99	432.66	10.64	-66.35
CC1=CC=C(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300012691914	1	55	0.0	-75.27	432.73	10.73	-64.54
CC1=CC=CC(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1C	REAL300012691915	0	55	0.0	-75.29	423.93	10.47	-64.82
CC1=CC=CC(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1C	REAL300012691915	1	55	0.0	-74.09	424.01	10.51	-63.58
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691916	0	48	0.0	-59.57	377.49	9.92	-49.65
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691916	1	48	0.0	-57.39	377.83	9.94	-47.45
CC(C(=O)[O-])N(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012691917	0	52	0.0	-61.24	387.89	10.15	-51.09
CC(C(=O)[O-])N(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012691917	1	52	0.0	-51.23	385.71	10.93	-40.30
CCCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(COC)C(=O)[O-]	REAL300012691918	0	55	0.0	-77.97	419.49	10.88	-67.09
CCCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(COC)C(=O)[O-]	REAL300012691918	1	55	0.0	-72.89	415.63	9.52	-63.37
CCCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012691919	0	54	0.0	-74.75	402.82	10.79	-63.96
CCCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012691919	1	54	0.0	-51.72	402.20	11.57	-40.15
CC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691920	0	48	0.0	-72.41	372.34	7.91	-64.50
CC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691920	1	48	0.0	-73.29	371.96	7.87	-65.42
O=C([O-])C1CCCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691921	0	49	0.0	-83.34	367.55	10.26	-73.08
O=C([O-])C1CCCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691921	1	49	0.0	-82.77	367.78	10.26	-72.51
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(Cl)C=C1	REAL300012691922	0	49	0.0	-72.66	411.19	9.96	-62.70
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(Cl)C=C1	REAL300012691922	1	49	0.0	-71.76	411.28	9.96	-61.80
O=C([O-])C1CSCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691923	0	47	0.0	-82.32	368.38	10.44	-71.88
O=C([O-])C1CSCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691923	1	47	0.0	-82.19	368.01	10.26	-71.93
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CCCCC1	REAL300012691924	0	52	0.0	-77.58	385.39	9.39	-68.19
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCCCC1	REAL300012691924	1	52	0.0	-76.96	387.29	9.50	-67.46
O=C([O-])C1CCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691925	0	46	0.0	-82.81	358.96	8.84	-73.97
O=C([O-])C1CCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691925	1	46	0.0	-80.70	358.79	8.83	-71.87
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300012691926	0	49	0.0	-77.53	371.03	8.28	-69.25
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300012691926	1	49	0.0	-77.53	371.53	8.37	-69.16
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CCCCCC1	REAL300012691927	0	55	0.0	-75.71	395.18	9.90	-65.81
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCCCCC1	REAL300012691927	1	55	0.0	-79.24	393.40	10.22	-69.02
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691928	0	52	0.0	-74.95	414.32	10.21	-64.74
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691928	1	52	0.0	-76.89	416.84	10.38	-66.51
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691929	0	52	0.0	-55.82	408.91	11.88	-43.94
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691929	1	52	0.0	-57.34	415.34	12.18	-45.16
O=C([O-])[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012691930	0	49	0.0	-76.01	394.35	9.44	-66.57
O=C([O-])[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012691930	1	49	0.0	-75.71	394.32	9.52	-66.19
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012691931	0	49	0.0	-76.01	394.45	9.44	-66.57
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012691931	1	49	0.0	-76.19	394.58	9.44	-66.75
CCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691932	0	45	0.0	-74.63	357.93	7.43	-67.20
CCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691932	1	45	0.0	-74.07	356.95	7.34	-66.73
CC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691933	0	48	0.0	-72.41	372.34	7.91	-64.50
CC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691933	1	48	0.0	-73.29	371.96	7.87	-65.42
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691934	0	52	0.0	-74.95	414.32	10.21	-64.74
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691934	1	52	0.0	-76.89	416.84	10.38	-66.51
CCC(C)C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691935	0	51	0.0	-74.75	387.66	8.30	-66.45
CCC(C)C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691935	1	51	0.0	-74.34	387.36	8.27	-66.07
O=C([O-])C1CCCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691936	0	49	0.0	-83.34	367.55	10.26	-73.08
O=C([O-])C1CCCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691936	1	49	0.0	-82.77	367.78	10.26	-72.51
CCCC(C)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691937	0	51	0.0	-72.94	383.70	8.48	-64.46
CCCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691937	1	51	0.0	-72.90	384.06	8.48	-64.42
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691938	0	48	0.0	-56.03	366.21	9.44	-46.59
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691938	1	48	0.0	-58.35	366.37	9.47	-48.88
O=C([O-])CN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012691939	0	46	0.0	-57.82	357.54	9.44	-48.38
O=C([O-])CN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012691939	1	46	0.0	-75.97	361.02	9.56	-66.41
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691940	0	46	0.0	-56.62	365.58	9.55	-47.07
C=CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691940	1	46	0.0	-59.12	368.52	9.70	-49.42
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691941	0	51	0.0	-59.42	392.15	10.44	-48.98
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691941	1	51	0.0	-59.41	392.50	10.45	-48.96
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691942	0	53	0.0	-83.82	403.93	12.33	-71.49
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691942	1	53	0.0	-83.73	406.05	12.39	-71.34
CC(C)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691943	0	45	0.0	-63.87	348.92	6.74	-57.13
CC(C)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691943	1	45	0.0	-63.90	349.11	6.75	-57.15
CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1CC1	REAL300012691944	0	49	0.0	-73.87	369.58	8.31	-65.56
CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1CC1	REAL300012691944	1	49	0.0	-73.50	371.96	8.48	-65.02
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CS1	REAL300012691945	0	46	0.0	-72.28	385.43	8.55	-63.73
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CS1	REAL300012691945	1	46	0.0	-74.28	386.14	8.53	-65.75
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CCCCC1	REAL300012691946	0	52	0.0	-77.58	385.39	9.39	-68.19
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCCCC1	REAL300012691946	1	52	0.0	-76.96	387.29	9.50	-67.46
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691947	0	48	0.0	-56.03	366.21	9.44	-46.59
CC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691947	1	48	0.0	-58.35	366.37	9.47	-48.88
CCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691948	0	48	0.0	-59.57	377.49	9.92	-49.65
CCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691948	1	48	0.0	-57.39	377.83	9.94	-47.45
CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691949	0	45	0.0	-75.74	350.78	8.95	-66.79
CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691949	1	45	0.0	-73.94	356.30	9.17	-64.77
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691950	0	51	0.0	-74.90	389.42	8.33	-66.57
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691950	1	51	0.0	-74.51	389.62	8.32	-66.19
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300012691951	0	49	0.0	-77.53	371.03	8.28	-69.25
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300012691951	1	49	0.0	-77.53	371.53	8.37	-69.16
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691952	0	52	0.0	-57.39	421.41	12.23	-45.16
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691952	1	52	0.0	-57.54	421.67	12.25	-45.29
CCC(C)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691953	0	48	0.0	-72.72	362.21	7.72	-65.00
CCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691953	1	48	0.0	-72.66	362.54	7.73	-64.93
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CC2=CC=CC=C2C1	REAL300012691954	0	53	0.0	-76.54	413.66	10.64	-65.90
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CC2=CC=CC=C2C1	REAL300012691954	1	53	0.0	-76.61	412.48	10.55	-66.06
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC(F)=CC=C1F	REAL300012691955	0	49	0.0	-74.77	402.94	9.43	-65.34
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC(F)=CC=C1F	REAL300012691955	1	49	0.0	-76.22	404.77	9.56	-66.66
CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012691956	0	52	0.0	-74.17	399.90	10.05	-64.12
CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012691956	1	52	0.0	-76.12	402.34	10.21	-65.91
CCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691957	0	45	0.0	-75.74	350.78	8.95	-66.79
CCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691957	1	45	0.0	-73.94	356.30	9.17	-64.77
CCCCCCC(C)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691958	0	60	0.0	-73.08	448.19	10.81	-62.27
CCCCCCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691958	1	60	0.0	-74.42	448.54	10.82	-63.60
CN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012691959	0	55	0.0	-74.34	425.54	12.32	-62.02
CN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012691959	1	55	0.0	-73.35	424.78	12.27	-61.08
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300012691960	0	43	0.0	-77.77	340.83	7.39	-70.38
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300012691960	1	43	0.0	-78.00	340.24	7.37	-70.63
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(Cl)C=C1	REAL300012691961	0	49	0.0	-72.66	411.19	9.96	-62.70
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(Cl)C=C1	REAL300012691961	1	49	0.0	-71.76	411.28	9.96	-61.80
O=C([O-])C1COCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691962	0	47	0.0	-79.77	356.84	7.66	-72.11
O=C([O-])C1COCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691962	1	47	0.0	-81.35	359.65	7.86	-73.49
CN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1(C(=O)[O-])CCCCC1	REAL300012691963	0	55	0.0	-77.96	394.72	10.72	-67.24
CN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1(C(=O)[O-])CCCCC1	REAL300012691963	1	55	0.0	-78.72	396.56	10.81	-67.91
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012691964	0	46	0.0	-74.92	364.61	7.86	-67.06
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012691964	1	46	0.0	-76.45	364.80	7.87	-68.58
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691965	0	55	0.0	-60.62	437.39	12.94	-47.68
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691965	1	55	0.0	-58.43	437.75	12.96	-45.47
CN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012691966	0	52	0.0	-72.70	402.44	11.11	-61.59
CN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012691966	1	52	0.0	-72.19	402.19	11.08	-61.11
COCCN(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691967	0	49	0.0	-57.86	386.96	8.29	-49.57
COCCN(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691967	1	49	0.0	-58.09	387.71	8.35	-49.74
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CCC2=CC=CC=C21	REAL300012691968	0	53	0.0	-78.00	408.79	10.49	-67.51
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCC2=CC=CC=C21	REAL300012691968	1	53	0.0	-77.81	408.64	10.49	-67.32
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691969	0	46	0.0	-81.11	359.05	8.86	-72.25
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691969	1	46	0.0	-81.57	358.03	8.91	-72.66
O=C([O-])[C@H]1CCCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691970	0	49	0.0	-82.02	365.51	10.06	-71.96
O=C([O-])[C@H]1CCCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691970	1	49	0.0	-82.58	367.86	10.25	-72.33
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691971	0	45	0.0	-70.24	349.10	8.41	-61.83
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691971	1	45	0.0	-71.30	349.42	8.42	-62.88
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691972	0	46	0.0	-81.53	358.22	8.91	-72.62
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691972	1	46	0.0	-82.42	359.29	8.85	-73.57
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CCC1	REAL300012691973	0	46	0.0	-79.46	359.11	8.04	-71.42
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCC1	REAL300012691973	1	46	0.0	-78.34	359.20	8.07	-70.27
C=CCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691974	0	46	0.0	-74.81	371.45	7.82	-66.99
C=CCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691974	1	46	0.0	-74.18	371.10	7.78	-66.40
CC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691975	0	49	0.0	-79.12	373.89	9.78	-69.34
CC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691975	1	49	0.0	-80.79	374.30	9.82	-70.97
O=C([O-])C1CCCCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691976	0	52	0.0	-81.85	378.86	10.74	-71.11
O=C([O-])C1CCCCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691976	1	52	0.0	-80.89	379.40	10.79	-70.10
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012691977	0	46	0.0	-74.92	364.61	7.86	-67.06
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012691977	1	46	0.0	-76.45	364.80	7.87	-68.58
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012691978	0	45	0.0	-70.74	348.64	8.45	-62.29
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691978	1	45	0.0	-70.24	349.71	8.49	-61.75
CCCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691979	0	51	0.0	-73.17	400.83	8.97	-64.20
CCCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691979	1	51	0.0	-72.82	400.54	8.94	-63.88
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CN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1(C(=O)[O-])CCCC1	REAL300012691987	1	52	0.0	-79.68	383.82	10.17	-69.51
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CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012691994	1	55	0.0	-56.28	423.39	12.81	-43.47
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COCC(C)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012691998	1	49	0.0	-78.69	380.79	7.01	-71.68
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O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300012692005	0	55	0.0	-75.52	416.84	9.83	-65.69
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300012692005	1	55	0.0	-76.42	411.48	9.65	-66.77
CN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(COC1CCC1)C(=O)[O-]	REAL300012692006	0	56	0.0	-74.06	428.21	10.15	-63.91
CN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(COC1CCC1)C(=O)[O-]	REAL300012692006	1	56	0.0	-71.80	427.91	10.13	-61.67
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692007	0	56	0.0	-81.82	432.60	13.52	-68.30
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692007	1	56	0.0	-81.77	433.50	13.35	-68.42
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300012692008	0	50	0.0	-76.18	378.96	7.05	-69.13
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300012692008	1	50	0.0	-77.91	379.36	7.08	-70.83
C=CCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692009	0	49	0.0	-73.06	392.13	8.75	-64.31
C=CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692009	1	49	0.0	-72.66	391.85	8.72	-63.94
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O=C([O-])C(CF)NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692010	1	42	0.0	-62.82	339.40	6.35	-56.47
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692011	0	55	0.0	-48.55	423.94	13.22	-35.33
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692011	1	55	0.0	-46.72	425.89	13.19	-33.53
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692012	0	45	0.0	-70.74	348.64	8.45	-62.29
CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692012	1	45	0.0	-70.24	349.71	8.49	-61.75
CCC(CC)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692013	0	51	0.0	-74.63	376.47	8.45	-66.18
CCC(CC)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692013	1	51	0.0	-75.33	378.90	8.61	-66.72
COC1=CC=C(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300012692014	0	53	0.0	-74.87	423.90	8.74	-66.13
COC1=CC=C(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300012692014	1	53	0.0	-74.92	424.04	8.74	-66.18
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692015	0	51	0.0	-56.57	390.11	10.67	-45.90
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692015	1	51	0.0	-54.72	389.65	10.62	-44.10
CCC(COC)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692016	0	52	0.0	-80.11	397.12	7.91	-72.20
CCC(COC)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692016	1	52	0.0	-78.50	397.44	7.91	-70.59
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692017	0	55	0.0	-72.93	421.20	9.45	-63.48
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692017	1	55	0.0	-72.13	421.05	9.49	-62.64
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CCS(=O)(=O)CC1	REAL300012692018	0	52	0.0	-79.51	402.07	5.40	-74.11
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCS(=O)(=O)CC1	REAL300012692018	1	52	0.0	-78.65	404.36	5.56	-73.09
O=C([O-])C(CC1CC1)NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692019	0	49	0.0	-73.93	387.83	8.70	-65.23
O=C([O-])C(CC1CC1)NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692019	1	49	0.0	-75.13	390.50	8.79	-66.34
COCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692020	0	49	0.0	-74.10	391.74	6.42	-67.68
COCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692020	1	49	0.0	-73.76	391.46	6.39	-67.37
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692021	0	54	0.0	-71.38	406.79	10.87	-60.51
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692021	1	54	0.0	-72.95	406.96	10.91	-62.04
O=C([O-])C(CC(F)F)NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692022	0	45	0.0	-73.78	370.42	7.65	-66.13
O=C([O-])C(CC(F)F)NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692022	1	45	0.0	-72.93	369.89	7.68	-65.25
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692023	0	55	0.0	-81.58	409.13	11.43	-70.15
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692023	1	55	0.0	-82.37	411.38	11.77	-70.60
CCCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012692024	0	51	0.0	-47.68	388.21	10.77	-36.91
CCCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012692024	1	51	0.0	-48.85	388.45	10.77	-38.08
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692025	0	55	0.0	-49.80	426.08	12.94	-36.86
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692025	1	55	0.0	-46.75	424.38	13.02	-33.73
CCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012692026	0	55	0.0	-76.17	416.88	10.94	-65.23
CCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012692026	1	55	0.0	-75.56	419.27	11.08	-64.48
COC1CCCC(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C1	REAL300012692027	0	59	0.0	-77.68	445.07	8.67	-69.01
COC1CCCC(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C1	REAL300012692027	1	59	0.0	-79.50	445.20	8.57	-70.93
O=C([O-])C(CCF)NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692028	0	45	0.0	-72.36	364.42	7.56	-64.80
O=C([O-])C(CCF)NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692028	1	45	0.0	-72.45	364.37	7.47	-64.98
COC1(CC(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300012692029	0	56	0.0	-71.81	424.68	8.91	-62.90
COC1(CC(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300012692029	1	56	0.0	-73.25	424.94	8.61	-64.64
O=C([O-])CN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300012692030	0	53	0.0	-56.06	400.92	9.08	-46.98
O=C([O-])CN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300012692030	1	53	0.0	-57.50	401.07	9.07	-48.43
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O=C([O-])CN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300012692031	1	55	0.0	-58.25	410.41	11.46	-46.79
C[C@H]1CC[C@@](NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300012692032	0	55	0.0	-77.86	399.16	9.77	-68.09
C[C@H]1CC[C@@](NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300012692032	1	55	0.0	-78.47	402.18	9.98	-68.49
COC1=CC=CC(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012692033	0	53	0.0	-76.93	423.47	8.80	-68.13
COC1=CC=CC(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012692033	1	53	0.0	-78.11	423.80	8.80	-69.31
CC(CCF)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692034	0	48	0.0	-71.36	368.80	7.86	-63.50
CC(CCF)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692034	1	48	0.0	-71.33	369.14	7.87	-63.46
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COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012692039	1	55	0.0	-77.00	423.66	10.14	-66.86
COC1=CC=CC(CC(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012692040	0	56	0.0	-79.64	446.04	9.68	-69.96
COC1=CC=CC(CC(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300012692040	1	56	0.0	-79.54	445.41	9.69	-69.85
CC1(C)CCCC(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012692041	0	58	0.0	-77.11	413.28	10.26	-66.85
CC1(C)CCCC(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012692041	1	58	0.0	-77.69	415.24	10.40	-67.29
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692042	0	47	0.0	-85.09	361.94	9.72	-75.37
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692042	1	47	0.0	-85.92	363.85	9.83	-76.09
COC1CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300012692043	0	53	0.0	-79.53	405.75	8.81	-70.72
COC1CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300012692043	1	53	0.0	-79.80	406.94	8.71	-71.09
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692044	0	56	0.0	-73.58	425.25	8.94	-64.64
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692044	1	56	0.0	-74.27	429.55	8.26	-66.01
CC(C)(C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692045	0	51	0.0	-73.05	385.18	8.31	-64.74
CC(C)(C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692045	1	51	0.0	-73.82	387.35	8.34	-65.48
C=C(Cl)CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692046	0	46	0.0	-70.06	386.40	8.55	-61.51
C=C(Cl)CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692046	1	46	0.0	-74.85	386.22	8.41	-66.44
C=C(C)CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692047	0	49	0.0	-75.39	391.06	8.74	-66.65
C=C(C)CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692047	1	49	0.0	-74.83	391.37	8.51	-66.32
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692048	0	50	0.0	-85.64	376.19	10.63	-75.01
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692048	1	50	0.0	-87.00	376.94	10.69	-76.31
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692049	0	55	0.0	-74.37	426.04	10.62	-63.75
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692049	1	55	0.0	-72.89	426.39	10.63	-62.26
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692050	0	46	0.0	-76.38	372.10	9.02	-67.36
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692050	1	46	0.0	-74.10	371.03	9.03	-65.07
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C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012692052	0	47	0.0	-80.12	370.26	9.13	-70.99
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012692052	1	47	0.0	-81.34	371.27	9.36	-71.98
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CC(C)C[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692054	0	51	0.0	-73.52	396.05	8.73	-64.79
CC(C)C[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692054	1	51	0.0	-73.90	397.13	8.67	-65.23
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300012692055	0	53	0.0	-78.82	402.64	7.16	-71.66
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300012692055	1	53	0.0	-76.35	408.37	7.41	-68.94
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012692056	0	49	0.0	-76.01	394.45	9.44	-66.57
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012692056	1	49	0.0	-76.19	394.58	9.44	-66.75
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O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692058	1	48	0.0	-75.38	403.31	7.57	-67.81
CC(C)CCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692059	0	57	0.0	-73.76	440.13	10.20	-63.56
CC(C)CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692059	1	57	0.0	-73.40	439.85	10.17	-63.23
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692060	0	53	0.0	-78.72	412.79	7.55	-71.17
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692060	1	53	0.0	-77.25	413.67	7.73	-69.52
CSCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692061	0	46	0.0	-72.29	381.87	7.71	-64.58
CSCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692061	1	46	0.0	-70.91	381.48	7.67	-63.24
COC[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692062	0	46	0.0	-74.51	367.81	5.45	-69.06
COC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692062	1	46	0.0	-74.48	370.10	5.65	-68.83
CC[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692063	0	45	0.0	-73.99	358.17	7.37	-66.62
CC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692063	1	45	0.0	-74.37	355.91	7.19	-67.18
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692064	0	52	0.0	-74.34	422.77	10.51	-63.83
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692064	1	52	0.0	-74.28	422.98	10.51	-63.77
CCC(C)CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692065	0	54	0.0	-74.33	415.08	9.32	-65.01
CCC(C)CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692065	1	54	0.0	-73.47	414.60	9.35	-64.12
C=CCCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692066	0	52	0.0	-73.31	413.63	9.53	-63.78
C=CCCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692066	1	52	0.0	-72.87	413.35	9.50	-63.37
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692067	0	52	0.0	-74.83	422.84	10.45	-64.38
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692067	1	52	0.0	-73.57	423.18	10.45	-63.12
O=C([O-])C1CSCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692068	0	47	0.0	-82.32	368.38	10.44	-71.88
O=C([O-])C1CSCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692068	1	47	0.0	-82.19	368.01	10.26	-71.93
CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012692069	0	52	0.0	-74.17	399.90	10.05	-64.12
CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012692069	1	52	0.0	-76.12	402.34	10.21	-65.91
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692070	0	46	0.0	-81.11	359.05	8.86	-72.25
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692070	1	46	0.0	-81.57	358.03	8.91	-72.66
CCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692071	0	48	0.0	-73.72	379.56	8.12	-65.60
CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692071	1	48	0.0	-72.87	379.04	8.16	-64.71
CC(C)[C@@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692072	0	48	0.0	-73.97	367.44	7.59	-66.38
CC(C)[C@@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692072	1	48	0.0	-74.65	369.85	7.78	-66.87
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692073	0	50	0.0	-88.03	379.18	10.83	-77.20
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692073	1	50	0.0	-86.58	378.27	10.77	-75.81
CCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012692074	0	51	0.0	-77.59	382.75	10.11	-67.48
CCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012692074	1	51	0.0	-76.02	383.08	10.11	-65.91
CCCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012692075	0	51	0.0	-47.68	388.21	10.77	-36.91
CCCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012692075	1	51	0.0	-48.85	388.45	10.77	-38.08
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692076	0	45	0.0	-76.49	363.03	9.43	-67.06
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692076	1	45	0.0	-69.68	370.92	9.67	-60.01
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692077	0	45	0.0	-76.49	363.03	9.43	-67.06
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692077	1	45	0.0	-69.68	370.92	9.67	-60.01
CN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012692078	0	48	0.0	-77.17	364.33	9.24	-67.93
CN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012692078	1	48	0.0	-77.68	363.60	9.24	-68.44
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O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692079	1	46	0.0	-82.42	359.29	8.85	-73.57
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692080	0	58	0.0	-60.16	442.22	7.49	-52.67
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692080	1	58	0.0	-60.36	444.05	7.62	-52.74
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C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692092	1	49	0.0	-79.60	374.20	9.81	-69.79
CC(C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692093	0	48	0.0	-75.51	370.76	7.68	-67.83
CC(C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692093	1	48	0.0	-74.01	375.42	7.94	-66.07
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CC(CN1C=CC=N1)(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692095	0	52	0.0	-74.60	408.03	8.79	-65.81
CC(CN1C=CC=N1)(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692095	1	52	0.0	-76.03	403.32	8.74	-67.29
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CCC[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692097	0	48	0.0	-72.65	377.21	8.03	-64.62
CCC[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692097	1	48	0.0	-73.69	379.91	8.14	-65.55
CCN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012692098	0	48	0.0	-71.79	367.14	9.28	-62.51
CCN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012692098	1	48	0.0	-75.85	369.32	9.91	-65.94
O=C([O-])CN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300012692099	0	52	0.0	-55.50	390.15	10.58	-44.92
O=C([O-])CN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300012692099	1	52	0.0	-55.71	390.79	10.59	-45.12
CC(CN(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692100	0	48	0.0	-81.25	371.38	9.14	-72.11
CC(CN(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692100	1	48	0.0	-77.86	370.00	8.88	-68.98
CC[C@H](C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692101	0	51	0.0	-74.90	389.42	8.33	-66.57
CC[C@H](C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692101	1	51	0.0	-74.51	389.62	8.32	-66.19
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692102	0	48	0.0	-71.07	366.34	9.18	-61.89
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692102	1	48	0.0	-70.18	366.94	9.36	-60.82
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C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692104	0	58	0.0	-77.30	441.55	8.67	-68.63
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692104	1	58	0.0	-74.67	441.07	8.70	-65.97
CC1CCC(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012692105	0	52	0.0	-76.23	392.00	8.90	-67.33
CC1CCC(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012692105	1	52	0.0	-77.09	394.41	9.04	-68.05
CC1(C)CCCC1(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692106	0	55	0.0	-77.38	403.75	9.80	-67.58
CC1(C)CCCC1(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692106	1	55	0.0	-78.91	402.33	9.70	-69.21
COCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692107	0	49	0.0	-74.10	391.74	6.42	-67.68
COCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692107	1	49	0.0	-73.76	391.46	6.39	-67.37
CN(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012692108	0	55	0.0	-74.34	425.54	12.32	-62.02
CN(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012692108	1	55	0.0	-73.35	424.78	12.27	-61.08
CC1(C)CC(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012692109	0	52	0.0	-77.99	393.52	9.60	-68.39
CC1(C)CC(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012692109	1	52	0.0	-78.35	395.02	9.73	-68.62
CC1(C(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300012692110	0	49	0.0	-73.63	381.60	8.35	-65.28
CC1(C(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300012692110	1	49	0.0	-73.95	384.01	8.54	-65.41
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692111	0	58	0.0	-75.53	439.89	8.47	-67.06
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692111	1	58	0.0	-77.04	442.46	8.58	-68.46
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692112	0	47	0.0	-87.24	366.59	5.58	-81.66
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692112	1	47	0.0	-87.29	367.88	5.76	-81.53
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O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCOC1	REAL300012692113	1	50	0.0	-72.28	390.85	6.42	-65.86
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CC1CCC(C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012692117	0	52	0.0	-80.58	387.04	10.67	-69.91
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012692117	1	52	0.0	-81.50	388.30	10.79	-70.71
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692118	0	55	0.0	-75.29	423.62	10.43	-64.86
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692118	1	55	0.0	-75.09	424.35	10.46	-64.63
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692119	0	56	0.0	-74.89	430.69	10.57	-64.32
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692119	1	56	0.0	-74.94	430.80	10.56	-64.38
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012692120	0	49	0.0	-72.82	380.31	8.19	-64.63
O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012692120	1	49	0.0	-74.11	378.51	8.35	-65.76
O=C([O-])C(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300012692121	0	55	0.0	-75.52	416.84	9.83	-65.69
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CC1CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300012692123	0	49	0.0	-82.71	377.30	9.27	-73.44
CC1CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300012692123	1	49	0.0	-80.99	370.87	9.80	-71.19
C=CCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692124	0	46	0.0	-74.81	371.45	7.82	-66.99
C=CCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692124	1	46	0.0	-74.18	371.10	7.78	-66.40
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CC1(C)CC(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CCO1	REAL300012692127	0	56	0.0	-79.85	409.18	8.37	-71.48
CC1(C)CC(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CCO1	REAL300012692127	1	56	0.0	-79.05	408.42	8.37	-70.68
CC1=CC=CC2=C1CCN(C(=O)NC1CC[N@H+](CC3=CC=CC=C3)C1)C2C(=O)[O-]	REAL300012692128	0	56	0.0	-63.90	426.45	12.25	-51.65
CC1=CC=CC2=C1CCN(C(=O)NC1CC[N@@H+](CC3=CC=CC=C3)C1)C2C(=O)[O-]	REAL300012692128	1	56	0.0	-63.59	426.17	12.22	-51.37
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CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692182	1	49	0.0	-75.97	372.49	8.57	-67.40
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CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692189	0	49	0.0	-74.58	386.18	9.94	-64.64
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692189	1	49	0.0	-74.44	386.26	9.94	-64.50
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COCCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692193	1	52	0.0	-72.20	412.71	7.23	-64.97
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692194	0	51	0.0	-71.85	390.01	10.11	-61.74
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692194	1	51	0.0	-70.48	390.75	10.24	-60.24
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CCOCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692195	1	49	0.0	-76.50	391.49	6.54	-69.96
CC(C)(C)CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692196	0	54	0.0	-75.83	409.00	9.75	-66.08
CC(C)(C)CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692196	1	54	0.0	-74.02	408.62	9.73	-64.29
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O=C([O-])C(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCO1	REAL300012692197	1	53	0.0	-76.05	409.48	7.96	-68.09
O=C([O-])C1(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CC2=CC=CC=C2C1	REAL300012692198	0	53	0.0	-76.54	413.66	10.64	-65.90
O=C([O-])C1(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CC2=CC=CC=C2C1	REAL300012692198	1	53	0.0	-76.61	412.48	10.55	-66.06
C[C@H]1OCCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300012692199	0	50	0.0	-81.14	377.69	8.64	-72.50
C[C@H]1OCCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300012692199	1	50	0.0	-82.52	379.75	8.84	-73.68
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692200	0	52	0.0	-77.06	397.05	10.04	-67.02
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692200	1	52	0.0	-76.89	399.31	10.21	-66.68
N#CCCC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692201	0	46	0.0	-75.08	378.68	7.92	-67.16
N#CCCC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012692201	1	46	0.0	-74.72	378.40	7.90	-66.82
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692202	0	49	0.0	-57.48	396.87	10.32	-47.16
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C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012692203	0	45	0.0	-70.24	349.10	8.41	-61.83
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012692203	1	45	0.0	-71.30	349.42	8.42	-62.88
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012692204	0	53	0.0	-78.84	412.38	9.31	-69.53
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012692204	1	53	0.0	-80.12	411.85	9.20	-70.92
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012692505	0	49	0.0	-73.78	365.64	5.11	-68.67
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012692506	0	45	0.0	-67.32	364.26	7.33	-59.99
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012692507	0	45	0.0	-67.20	374.15	7.78	-59.42
CC[NH+]1CCC(NC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300012692508	0	49	0.0	-80.27	357.93	6.94	-73.33
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012692509	0	49	0.0	-70.73	359.52	4.95	-65.78
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300012692510	0	48	0.0	-70.80	378.50	7.82	-62.98
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012692511	0	50	0.0	-73.01	387.68	6.98	-66.03
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012692512	0	51	0.0	-73.89	394.37	8.54	-65.35
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300012692513	0	51	0.0	-74.92	390.18	8.34	-66.58
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)CC1	REAL300012692514	0	49	0.0	-73.15	397.05	7.06	-66.09
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300012692515	0	51	0.0	-74.16	381.75	8.16	-66.00
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300012692516	0	49	0.0	-73.88	387.25	6.58	-67.30
CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012692517	0	51	0.0	-56.03	411.29	10.89	-45.14
CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC1	REAL300012692518	0	48	0.0	-59.54	393.83	10.50	-49.04
CCCN(C(=O)NC1CC[NH+](CC)CC1)C(COC)C(=O)[O-]	REAL300012692519	0	51	0.0	-74.42	376.87	8.57	-65.85
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012692520	0	45	0.0	-68.91	368.49	7.65	-61.26
CC[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012692521	0	43	0.0	-78.19	325.61	8.08	-70.11
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012692522	0	51	0.0	-75.36	350.77	7.92	-67.44
CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012692523	0	48	0.0	-74.59	373.58	8.04	-66.55
CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012692524	0	48	0.0	-60.57	372.09	9.85	-50.72
CC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012692525	0	45	0.0	-73.24	351.56	7.21	-66.03
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012692526	0	45	0.0	-72.15	351.09	7.18	-64.97
CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012692527	0	48	0.0	-74.59	373.58	8.04	-66.55
CC[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012692528	0	49	0.0	-81.31	363.94	10.23	-71.08
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012692529	0	42	0.0	-71.27	343.17	6.29	-64.98
CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012692530	0	48	0.0	-56.25	389.28	10.40	-45.85
CC[NH+]1CCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012692531	0	52	0.0	-72.85	402.29	8.16	-64.69
CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)CC1	REAL300012692532	0	56	0.0	-61.73	431.49	8.49	-53.24
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300012692533	0	45	0.0	-68.82	373.05	7.76	-61.06
CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012692534	0	48	0.0	-56.42	378.96	9.95	-46.47
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012692535	0	49	0.0	-75.08	371.11	8.43	-66.65
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012692536	0	45	0.0	-73.43	362.62	7.29	-66.14
CC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012692537	0	48	0.0	-73.62	359.11	7.88	-65.74
CCCCCCC(C)(NC(=O)NC1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012692538	0	56	0.0	-71.31	405.75	8.52	-62.79
CC[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012692539	0	51	0.0	-71.14	382.62	10.00	-61.14
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012692540	0	45	0.0	-68.91	368.49	7.65	-61.26
CC[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012692541	0	51	0.0	-77.57	354.39	8.58	-68.99
CC[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012692542	0	51	0.0	-60.19	394.49	10.63	-49.56
CC[NH+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012692543	0	48	0.0	-76.63	362.18	8.68	-67.95
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012692544	0	49	0.0	-76.64	366.00	8.16	-68.48
CC[NH+]1CCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012692545	0	52	0.0	-80.52	407.95	8.02	-72.50
CC[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012692546	0	51	0.0	-60.19	394.49	10.63	-49.56
CCC1CCC(NC(=O)NC2CC[NH+](CC)CC2)(C(=O)[O-])CC1	REAL300012692547	0	54	0.0	-75.33	384.20	8.52	-66.81
CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012692548	0	49	0.0	-59.95	358.32	6.77	-53.18
CC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300012692549	0	48	0.0	-70.15	391.03	8.86	-61.29
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012692550	0	45	0.0	-74.08	363.32	7.64	-66.44
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012692551	0	45	0.0	-78.56	356.22	7.21	-71.35
CC[NH+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012692552	0	49	0.0	-61.99	366.62	9.57	-52.42
CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012692553	0	48	0.0	-77.38	388.74	8.31	-69.07
CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012692554	0	54	0.0	-76.43	417.48	10.20	-66.23
CC[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012692555	0	54	0.0	-73.45	395.95	8.26	-65.19
CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012692556	0	51	0.0	-59.20	384.27	10.47	-48.73
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300012692557	0	48	0.0	-73.54	373.18	7.81	-65.73
CC[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012692558	0	41	0.0	-66.07	331.31	5.83	-60.24
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012692559	0	51	0.0	-75.46	397.76	9.40	-66.06
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012692560	0	46	0.0	-72.08	342.81	6.94	-65.14
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC)CC1	REAL300012692561	0	48	0.0	-70.42	356.74	6.42	-64.00
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC)CC1	REAL300012692562	0	54	0.0	-58.57	400.15	11.19	-47.38
CC[NH+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012692563	0	44	0.0	-60.29	353.18	8.02	-52.27
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012692564	0	51	0.0	-73.10	368.69	7.34	-65.76
CC[NH+]1CCC(NC(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300012692565	0	48	0.0	-69.31	406.99	9.06	-60.25
CC[NH+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012692566	0	52	0.0	-71.88	384.54	7.96	-63.92
CC[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012692567	0	52	0.0	-79.33	389.20	11.21	-68.12
CC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012692568	0	51	0.0	-54.46	381.95	10.84	-43.62
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)CC1	REAL300012692569	0	49	0.0	-72.22	381.25	6.43	-65.79
CC[NH+]1CCC(NC(=O)NC(CC)(COC)C(=O)[O-])CC1	REAL300012692570	0	48	0.0	-76.52	354.44	5.62	-70.90
CC[NH+]1CCC(NC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012692571	0	51	0.0	-70.25	377.19	7.29	-62.96
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012692572	0	48	0.0	-76.99	361.63	3.26	-73.73
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC)CC1	REAL300012692573	0	51	0.0	-80.78	366.14	9.46	-71.32
CC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012692574	0	51	0.0	-77.15	382.18	10.72	-66.43
CC[NH+]1CCC(NC(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012692575	0	51	0.0	-71.43	393.21	9.29	-62.14
CC[NH+]1CCC(NC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012692576	0	51	0.0	-73.88	376.54	8.80	-65.08
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300012692577	0	55	0.0	-76.76	401.14	6.34	-70.42
CC[NH+]1CCC(NC(=O)NC(CC2(OC)CCC2)C(=O)[O-])CC1	REAL300012692578	0	52	0.0	-74.59	386.02	6.43	-68.16
CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012692579	0	49	0.0	-59.95	358.32	6.77	-53.18
CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012692580	0	51	0.0	-60.17	366.84	9.12	-51.05
CC[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012692581	0	51	0.0	-76.27	358.47	7.62	-68.65
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012692582	0	49	0.0	-75.65	381.30	6.43	-69.22
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300012692583	0	45	0.0	-73.20	366.69	7.71	-65.49
CC[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012692584	0	46	0.0	-63.46	349.50	7.75	-55.71
CC[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012692585	0	42	0.0	-71.69	329.11	6.70	-64.99
CC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012692586	0	49	0.0	-76.30	381.29	6.41	-69.89
CC[NH+]1CCC(NC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])CC1	REAL300012692587	0	51	0.0	-79.42	380.68	8.87	-70.55
CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])CC1	REAL300012692588	0	52	0.0	-73.09	403.25	7.43	-65.66
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012692589	0	54	0.0	-75.79	373.03	8.14	-67.65
CC[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300012692590	0	51	0.0	-71.55	393.44	8.75	-62.80
CC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012692591	0	50	0.0	-69.73	387.79	8.58	-61.15
CC[NH+]1CCC(NC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300012692592	0	49	0.0	-77.11	362.92	6.50	-70.61
CC[NH+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012692593	0	52	0.0	-71.74	382.78	6.57	-65.17
C=C(Cl)CC(NC(=O)NC1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012692594	0	42	0.0	-68.25	344.09	6.18	-62.07
CC[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012692595	0	51	0.0	-72.12	383.12	8.30	-63.82
CC[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012692596	0	42	0.0	-73.35	329.12	6.69	-66.66
CC[NH+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012692597	0	52	0.0	-72.08	382.87	6.54	-65.54
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012692598	0	49	0.0	-73.78	365.64	5.11	-68.67
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012692599	0	45	0.0	-72.15	351.09	7.18	-64.97
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300012692600	0	48	0.0	-71.86	390.25	8.20	-63.66
CC[NH+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012692601	0	44	0.0	-72.01	360.54	5.27	-66.74
CC[NH+]1CCC(NC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012692602	0	53	0.0	-71.80	397.68	7.90	-63.90
CC[NH+]1CCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012692603	0	51	0.0	-71.75	403.91	8.48	-63.27
CC[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012692604	0	49	0.0	-76.30	371.80	5.44	-70.86
CC[NH+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012692605	0	48	0.0	-71.36	380.45	8.14	-63.22
CC[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012692606	0	48	0.0	-72.01	380.41	8.14	-63.87
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012692607	0	51	0.0	-76.99	391.56	9.32	-67.67
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC1	REAL300012692608	0	49	0.0	-76.56	395.57	7.05	-69.51
CC[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012692609	0	43	0.0	-78.19	325.61	8.08	-70.11
CC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012692610	0	48	0.0	-73.62	359.11	7.88	-65.74
CC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300012692611	0	48	0.0	-70.50	380.86	8.54	-61.96
CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012692612	0	41	0.0	-67.57	328.16	7.37	-60.20
CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012692613	0	41	0.0	-67.57	328.16	7.37	-60.20
CC[NH+]1CCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012692614	0	54	0.0	-61.22	401.88	5.36	-55.86
CC[NH+]1CCC(NC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012692615	1	58	0.0	-59.50	425.93	5.06	-54.44
CC[NH+]1CCC(NC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])CC1	REAL300012692616	0	49	0.0	-57.58	368.72	9.99	-47.59
CC[NH+]1CCC(NC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012692617	0	52	0.0	-64.24	378.37	10.11	-54.13
CC[NH+]1CCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012692618	0	50	0.0	-73.17	371.39	8.27	-64.90
CC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012692619	0	45	0.0	-73.24	351.56	7.21	-66.03
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012692620	0	48	0.0	-69.17	390.51	8.14	-61.03
CC[NH+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012692621	0	50	0.0	-73.97	391.07	7.10	-66.87
CC[NH+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012692622	0	44	0.0	-74.90	360.34	5.13	-69.77
CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300012692623	0	48	0.0	-76.87	392.29	8.39	-68.48
CC[NH+]1CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012692624	0	45	0.0	-67.54	380.09	6.89	-60.65
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CSC(Br)=C2)CC1	REAL300012692625	0	42	0.0	-70.30	364.07	6.81	-63.49
CC[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012692626	0	45	0.0	-86.27	344.96	4.50	-81.77
CC[NH+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012692627	0	46	0.0	-72.64	342.23	6.23	-66.41
CC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012692628	0	45	0.0	-72.50	351.75	7.13	-65.37
CC[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012692629	0	48	0.0	-74.49	361.23	6.47	-68.02
CC[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012692630	0	54	0.0	-74.61	398.89	6.35	-68.26
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012692631	0	51	0.0	-76.52	359.48	7.39	-69.13
CC[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012692632	0	51	0.0	-71.14	382.62	10.00	-61.14
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)CC1	REAL300012692633	0	55	0.0	-75.83	400.42	9.46	-66.37
CC[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012692634	0	54	0.0	-73.39	399.42	6.34	-67.05
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(COCC3=CC=CC=C3)C2)CC1	REAL300012692635	0	59	0.0	-77.43	453.13	9.45	-67.98
CC[NH+]1CCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012692636	0	53	0.0	-64.10	394.04	10.69	-53.41
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012692637	0	49	0.0	-80.98	383.69	7.21	-73.77
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012692638	0	51	0.0	-71.49	387.56	8.36	-63.13
CC[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012692639	0	52	0.0	-71.43	383.61	8.92	-62.51
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012692640	0	58	0.0	-73.70	408.89	7.81	-65.89
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012692641	0	51	0.0	-73.10	368.69	7.34	-65.76
CC[NH+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012692642	0	52	0.0	-71.69	387.85	6.78	-64.91
CC[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012692643	0	52	0.0	-53.61	360.91	8.76	-44.85
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012692644	0	52	0.0	-74.99	365.66	6.06	-68.93
CC[NH+]1CCC(NC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012692645	0	51	0.0	-74.56	412.24	9.34	-65.22
CC[NH+]1CCC(NC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC1	REAL300012692646	0	52	0.0	-64.84	384.65	10.02	-54.82
CC[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012692647	0	52	0.0	-71.43	383.61	8.92	-62.51
CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012692648	0	48	0.0	-75.34	379.76	8.17	-67.17
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012692649	0	42	0.0	-73.95	325.17	5.79	-68.16
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012692650	0	45	0.0	-74.46	355.75	6.81	-67.65
CC[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012692651	0	41	0.0	-66.07	331.31	5.83	-60.24
CC[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012692652	0	49	0.0	-73.44	369.74	5.18	-68.26
CC[NH+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012692653	0	45	0.0	-71.30	365.10	7.16	-64.14
CC[NH+]1CCC(NC(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012692654	0	52	0.0	-72.44	392.75	7.12	-65.32
CC[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012692655	0	51	0.0	-77.15	382.18	10.72	-66.43
CC[NH+]1CCC(NC(=O)NC(CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300012692656	0	48	0.0	-71.38	394.64	8.73	-62.65
CC[NH+]1CCC(NC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300012692657	0	52	0.0	-76.87	413.24	7.66	-69.21
CC[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012692658	0	54	0.0	-73.45	395.95	8.26	-65.19
CC[NH+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012692659	0	51	0.0	-71.97	397.03	8.85	-63.12
CC[NH+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012692660	0	51	0.0	-72.89	396.79	8.91	-63.98
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012692661	0	52	0.0	-74.37	377.43	7.92	-66.45
CC[NH+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012692662	0	54	0.0	-72.13	395.73	8.33	-63.80
CC[NH+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012692663	0	54	0.0	-73.45	395.95	8.27	-65.18
CC[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012692664	0	52	0.0	-55.45	376.14	8.93	-46.52
CC[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012692665	0	52	0.0	-79.89	373.66	8.84	-71.05
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)CC1	REAL300012692666	0	52	0.0	-75.76	415.52	7.71	-68.05
CC[NH+]1CCC(NC(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])CC1	REAL300012692667	0	52	0.0	-75.21	403.08	7.34	-67.87
C=CCSCC(NC(=O)NC1CC[NH+](CC)CC1)C(=O)[O-]	REAL300012692668	0	46	0.0	-69.67	373.59	6.85	-62.82
CC[NH+]1CCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012692669	0	49	0.0	-73.18	394.42	8.43	-64.75
CC[NH+]1CCC(NC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC1	REAL300012692670	0	52	0.0	-87.63	413.22	8.03	-79.60
CC[NH+]1CCC(NC(=O)NC(CC2=CNC3=CC=C(OC)C=C23)C(=O)[O-])CC1	REAL300012692671	0	56	0.0	-76.58	432.63	7.42	-69.16
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(OC)CCC2)CC1	REAL300012692672	0	49	0.0	-68.39	362.56	4.69	-63.70
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012692673	0	51	0.0	-73.15	376.76	8.06	-65.09
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012692674	0	52	0.0	-75.24	383.05	9.18	-66.06
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012692675	0	45	0.0	-74.46	347.12	6.49	-67.97
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300012692677	0	57	0.0	-72.63	427.76	9.54	-63.09
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300012692678	0	54	0.0	-73.07	411.99	9.06	-64.01
CCOC1=CC=C(C(NC(=O)NC2CC[NH+](CC)CC2)C(=O)[O-])C=C1	REAL300012692679	0	52	0.0	-72.64	402.88	7.43	-65.21
CC[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012692680	0	52	0.0	-79.43	370.99	9.64	-69.79
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012692681	0	52	0.0	-72.86	392.24	9.01	-63.85
CC[NH+]1CCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012692682	0	52	0.0	-77.18	394.21	8.17	-69.01
CC[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012692683	0	48	0.0	-75.89	387.16	8.08	-67.81
CC[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012692684	0	49	0.0	-55.57	361.28	8.46	-47.11
CC[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012692685	0	49	0.0	-73.44	369.74	5.18	-68.26
CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(Br)=C2)C(=O)[O-])CC1	REAL300012692686	0	48	0.0	-74.48	394.64	8.72	-65.76
CC[NH+]1CCC(NC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])CC1	REAL300012692687	0	46	0.0	-75.55	357.67	8.13	-67.42
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012692688	0	49	0.0	-78.10	350.96	7.90	-70.20
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012692689	0	49	0.0	-76.55	365.46	7.61	-68.94
CC[NH+]1CCC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012692690	0	51	0.0	-71.81	384.63	10.14	-61.67
CC[NH+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012692691	0	55	0.0	-55.51	390.40	9.41	-46.10
CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012692692	0	48	0.0	-60.57	372.09	9.85	-50.72
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300012692693	0	55	0.0	-73.74	425.96	10.53	-63.21
CC[NH+]1CCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012692694	0	49	0.0	-58.69	378.94	9.55	-49.14
CC[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300012692695	0	51	0.0	-69.37	398.32	8.91	-60.46
CC[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012692696	0	45	0.0	-77.82	336.76	8.10	-69.72
CC[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012692697	0	42	0.0	-82.04	328.34	6.70	-75.34
CC[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012692698	0	48	0.0	-75.34	379.76	8.17	-67.17
CC[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012692699	0	45	0.0	-72.59	364.40	6.95	-65.64
CC[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012692700	0	45	0.0	-69.47	343.57	7.63	-61.84
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012692701	0	49	0.0	-76.18	378.80	7.79	-68.39
CC[NH+]1CCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300012692702	0	53	0.0	-77.50	401.64	9.36	-68.14
CC[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012692703	0	45	0.0	-72.59	364.40	6.95	-65.64
CC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012692704	0	49	0.0	-79.92	353.26	8.11	-71.81
CC[NH+]1CCC(NC(=O)NC(CCCOC)C(=O)[O-])CC1	REAL300012692705	0	48	0.0	-72.04	370.79	4.90	-67.14
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012692706	0	49	0.0	-73.46	366.38	5.61	-67.85
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300012692707	0	45	0.0	-70.71	372.39	7.80	-62.91
CC[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012692708	0	49	0.0	-75.08	371.11	8.43	-66.65
CC[NH+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012692709	0	48	0.0	-72.27	356.53	7.92	-64.35
CC[NH+]1CCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300012692710	0	59	0.0	-77.65	408.16	9.17	-68.48
CC[NH+]1CCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012692711	0	51	0.0	-76.45	403.95	8.32	-68.13
CC[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012692712	0	45	0.0	-61.44	354.20	8.02	-53.42
CC[NH+]1CCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012692713	0	56	0.0	-78.41	387.95	8.48	-69.93
CC[NH+]1CCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012692714	0	47	0.0	-69.02	385.78	6.69	-62.33
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC)CC2)C1	REAL300012692715	0	49	0.0	-78.82	369.02	6.89	-71.93
COC1=CC=CC(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692716	0	58	0.0	-64.22	437.07	9.24	-54.98
C=CCOCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692717	0	57	0.0	-71.59	445.82	7.72	-63.87
C=CC(C)C(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692718	0	56	0.0	-64.17	430.74	9.07	-55.10
COC1=CC=CC(C(CNC(=O)N2CCC(C)CC2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692719	0	59	0.0	-76.27	416.10	10.16	-66.11
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1	REAL300012692720	0	55	0.0	-49.95	411.82	9.40	-40.55
COC1=CC=CC(C(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)[NH+]2CCCC2)=C1	REAL300012692721	0	59	0.0	-51.17	428.91	10.72	-40.45
CCCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(CC)C(=O)[O-]	REAL300012692722	0	61	0.0	-56.51	438.00	10.36	-46.15
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]2CCCC2)=C1	REAL300012692723	0	55	0.0	-69.21	410.64	8.33	-60.88
COC1=CC=CC(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692724	0	56	0.0	-77.27	402.58	9.97	-67.30
COC1=CC=CC(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692725	0	54	0.0	-74.59	402.35	9.87	-64.72
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+]2CCCC2)=C1	REAL300012692726	0	59	0.0	-74.38	428.94	10.13	-64.25
COC1=CC=CC(C(CNC(=O)N2CCCC2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692727	0	53	0.0	-71.26	397.96	9.84	-61.42
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)=C1	REAL300012692728	0	56	0.0	-68.69	413.84	9.01	-59.68
COC1=CC=CC(C(CNC(=O)NCC(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692729	0	46	0.0	-56.16	349.77	4.99	-51.17
COC1=CC=CC(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)=C1	REAL300012692730	0	56	0.0	-65.97	435.37	9.89	-56.08
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)=C1	REAL300012692731	0	56	0.0	-65.24	434.73	10.02	-55.22
CCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692732	0	52	0.0	-69.29	398.96	7.99	-61.30
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]2CCCC2)=C1	REAL300012692733	0	55	0.0	-69.21	410.64	8.33	-60.88
COC1=CC=CC(C(CNC(=O)N(C)CC(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692734	0	49	0.0	-64.40	368.51	7.66	-56.74
COC1=CC=CC(C(CNC(=O)NC(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692735	0	49	0.0	-59.22	377.69	6.87	-52.35
CCC(C)C(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692736	0	58	0.0	-65.74	430.44	8.88	-56.86
COC1=CC=CC(C(CNC(=O)N(C)CC(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692737	0	49	0.0	-64.40	368.51	7.66	-56.74
COC1=CC=CC(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692738	0	56	0.0	-77.27	402.58	9.97	-67.30
CCCC(C)(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692739	0	58	0.0	-64.54	424.84	9.04	-55.50
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]2CCCC2)=C1	REAL300012692740	0	55	0.0	-51.13	400.50	8.93	-42.20
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+]2CCCC2)=C1	REAL300012692741	0	53	0.0	-45.06	397.99	10.22	-34.84
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1	REAL300012692742	0	53	0.0	-49.70	403.13	9.20	-40.50
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]2CCCC2)=C1	REAL300012692743	0	58	0.0	-49.46	426.23	9.70	-39.76
COC1=CC=CC(C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692744	0	52	0.0	-56.38	389.95	7.30	-49.08
COC1=CC=CC(C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)[NH+]2CCCC2)=C1	REAL300012692745	0	56	0.0	-71.13	412.84	9.04	-62.09
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+]2CCCC2)=C1	REAL300012692746	0	59	0.0	-74.38	428.94	10.13	-64.25
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]2CCCC2)=C1	REAL300012692747	0	55	0.0	-51.13	400.50	8.93	-42.20
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1	REAL300012692748	0	55	0.0	-49.95	411.82	9.40	-40.55
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1	REAL300012692749	0	52	0.0	-64.36	390.32	8.64	-55.72
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692750	0	58	0.0	-70.69	430.43	8.78	-61.91
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)=C1	REAL300012692751	0	56	0.0	-68.69	413.84	9.01	-59.68
CCC(C)(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692752	0	55	0.0	-64.28	403.35	8.29	-55.99
COC1=CC=CC(C(CNC(=O)N[C@@H](C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692753	0	49	0.0	-56.94	377.58	6.92	-50.02
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1	REAL300012692754	0	52	0.0	-64.36	390.32	8.64	-55.72
COC1=CC=CC(C(CNC(=O)N[C@H](C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692755	0	49	0.0	-57.04	377.36	6.80	-50.24
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC2)[NH+]2CCCC2)=C1	REAL300012692756	0	50	0.0	-73.20	376.71	7.05	-66.15
COC1=CC=CC(C(CNC(=O)N2CCOCC2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692757	0	54	0.0	-75.92	399.16	8.45	-67.47
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+]2CCCC2)=C1	REAL300012692758	0	53	0.0	-63.66	406.13	8.40	-55.26
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1	REAL300012692759	0	56	0.0	-50.10	421.69	7.83	-42.27
COC1=CC=CC(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692760	0	53	0.0	-71.36	398.70	9.42	-61.94
COC1=CC=CC(C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692761	0	56	0.0	-75.13	408.54	10.78	-64.35
COC1=CC=CC(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692762	0	52	0.0	-61.21	389.24	8.77	-52.44
COC1=CC=CC(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692763	0	53	0.0	-73.27	401.34	9.16	-64.11
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCC2)[NH+]2CCCC2)=C1	REAL300012692764	0	53	0.0	-74.42	400.54	8.65	-65.77
C=CCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692765	0	53	0.0	-69.57	412.48	8.39	-61.18
COC1=CC=CC(C(CNC(=O)N2CCCC2(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692766	0	56	0.0	-76.51	415.02	10.28	-66.23
COC1=CC=CC(C(CNC(=O)N2CCCCCC2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692767	0	59	0.0	-75.58	415.51	10.32	-65.26
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+]2CCCC2)=C1	REAL300012692768	0	53	0.0	-63.66	406.13	8.40	-55.26
COC1=CC=CC(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692769	0	52	0.0	-61.01	382.90	7.79	-53.22
CCCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692770	0	58	0.0	-69.34	441.96	9.53	-59.81
COC1=CC=CC(C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692771	0	56	0.0	-74.63	408.28	9.29	-65.34
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+]2CCCC2)=C1	REAL300012692772	0	59	0.0	-42.33	431.55	11.25	-31.08
COCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692773	0	53	0.0	-70.40	410.93	6.21	-64.19
CCCCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692774	0	61	0.0	-69.39	463.46	10.31	-59.08
COC1=CC=CC(C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)[NH+]2CCCC2)=C1	REAL300012692775	0	59	0.0	-74.94	418.19	9.66	-65.28
COC1=CC=CC(C(CNC(=O)N(C(C)C(=O)[O-])C2CC2)[NH+]2CCCC2)=C1	REAL300012692776	0	56	0.0	-53.72	408.90	9.18	-44.54
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C1CC1	REAL300012692777	0	59	0.0	-49.15	429.36	10.22	-38.93
COCC(C)(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692778	0	56	0.0	-68.98	421.59	7.57	-61.41
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1	REAL300012692779	0	59	0.0	-62.09	434.77	8.14	-53.95
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])CC(C)C)[NH+]2CCCC2)=C1	REAL300012692780	0	58	0.0	-49.46	426.23	9.70	-39.76
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+]2CCCC2)=C1	REAL300012692781	0	53	0.0	-45.06	397.99	10.22	-34.84
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCOC2)[NH+]2CCCC2)=C1	REAL300012692782	0	54	0.0	-68.60	404.94	6.45	-62.15
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCOCC2)[NH+]2CCCC2)=C1	REAL300012692783	0	57	0.0	-68.43	413.31	6.57	-61.86
C=CCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692784	0	56	0.0	-69.81	433.51	9.26	-60.55
COC1=CC=CC(C(CNC(=O)NC(CF)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692785	0	49	0.0	-55.91	380.99	6.91	-49.00
COC1=CC=CC(C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692786	0	52	0.0	-61.01	382.90	7.79	-53.22
CCC(CC)(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692787	0	58	0.0	-65.52	412.90	8.11	-57.41
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1	REAL300012692788	0	58	0.0	-48.33	423.34	10.14	-38.19
CCC(COC)(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692789	0	59	0.0	-70.42	431.20	7.42	-63.00
COC1=CC=CC(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692790	0	56	0.0	-69.49	431.29	9.44	-60.05
COCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692791	0	56	0.0	-69.94	432.64	7.05	-62.89
COC1=CC=CC(C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692792	0	61	0.0	-62.71	442.63	10.27	-52.44
COC1=CC=CC(C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692793	0	52	0.0	-70.12	411.55	8.21	-61.91
CCCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012692794	0	58	0.0	-54.65	421.58	9.36	-45.29
COC1=CC=CC(C(CNC(=O)NC(CCF)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692795	0	52	0.0	-69.17	405.80	8.06	-61.11
COC1=CC=CC(C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692796	0	55	0.0	-61.68	409.93	8.44	-53.24
COC1=CC=CC(C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692797	0	53	0.0	-66.48	415.37	9.03	-57.45
COC1=CC=CC(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692798	0	52	0.0	-61.30	389.16	8.91	-52.39
COC1=CC=CC(C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)[NH+]2CCCC2)=C1	REAL300012692799	0	54	0.0	-81.48	404.75	10.44	-71.04
COC1=CC=CC(C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]2CCCC2)=C1	REAL300012692800	0	58	0.0	-69.77	428.37	8.94	-60.83
C=C(Cl)CC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692801	0	53	0.0	-64.30	427.43	9.11	-55.19
C=C(C)CC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692802	0	56	0.0	-70.93	432.35	9.22	-61.71
COC1=CC=CC(C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)[NH+]2CCCC2)=C1	REAL300012692803	0	57	0.0	-83.86	419.95	11.28	-72.58
COC1=CC=CC(C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692804	0	53	0.0	-69.73	411.65	9.61	-60.12
COC1=CC=CC(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692805	0	53	0.0	-68.95	404.44	9.94	-59.01
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC(OC)=C2)[NH+]2CCCC2)C1	REAL300012692806	0	54	0.0	-74.47	415.82	9.26	-65.21
COC1=CC=CC(C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692807	0	58	0.0	-64.22	437.07	9.24	-54.98
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)=C1	REAL300012692808	0	56	0.0	-65.24	434.73	10.02	-55.22
COC1=CC=CC(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692809	0	56	0.0	-69.49	431.29	9.44	-60.05
COC1=CC=CC(C(CNC(=O)NC(CSC)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692810	0	53	0.0	-65.69	422.66	8.34	-57.35
COC[C@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692811	0	53	0.0	-65.81	411.06	6.17	-59.64
CC[C@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692812	0	52	0.0	-64.90	399.20	7.92	-56.98
CCC(C)CC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692813	0	61	0.0	-70.77	455.72	9.88	-60.89
C=CCCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692814	0	59	0.0	-69.63	454.77	10.09	-59.54
COC1=CC=CC(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692815	0	54	0.0	-74.59	402.35	9.87	-64.72
COC1=CC=CC(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692816	0	53	0.0	-71.36	398.70	9.42	-61.94
CCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692817	0	55	0.0	-69.75	420.70	8.69	-61.06
COC1=CC=CC(C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+]2CCCC2)=C1	REAL300012692818	0	55	0.0	-70.13	416.25	8.50	-61.63
COC1=CC=CC(C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692819	0	57	0.0	-77.09	423.41	10.75	-66.34
CCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012692820	0	58	0.0	-67.80	416.49	9.58	-58.22
CCCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012692821	0	58	0.0	-54.65	421.58	9.36	-45.29
COC1=CC=CC(C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692822	0	55	0.0	-68.22	397.50	8.75	-59.47
COC1=CC=CC(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692823	0	53	0.0	-73.27	401.34	9.16	-64.11
COC1=CC=CC(C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692824	0	54	0.0	-79.46	410.14	6.15	-73.31
CCC[C@@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692825	0	55	0.0	-69.74	420.70	8.69	-61.05
COC1=CC=CC(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)=C1	REAL300012692826	0	56	0.0	-65.97	435.37	9.89	-56.08
C=CCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692827	0	56	0.0	-69.81	433.51	9.26	-60.55
COC1=CC=CC(C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692828	0	56	0.0	-76.54	415.27	10.39	-66.15
COC1=CC=CC(C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+]2CCCC2)=C1	REAL300012692829	0	55	0.0	-65.18	416.24	8.50	-56.68
COC1=CC=CC(C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)=C1	REAL300012692830	0	56	0.0	-69.69	435.32	9.89	-59.80
COC1=CC=CC(C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692831	0	52	0.0	-61.30	389.16	8.91	-52.39
CCC[C@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692832	0	55	0.0	-64.86	420.70	8.68	-56.18
CCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012692833	0	55	0.0	-61.19	400.09	8.68	-52.51
COC1=CC=CC(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+]2CCCC2)=C1	REAL300012692834	0	59	0.0	-42.33	431.55	11.25	-31.08
COC1=CC=CC(C(CNC(=O)N(C)CC(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692835	0	55	0.0	-74.37	404.67	8.59	-65.78
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692836	0	58	0.0	-70.69	430.43	8.78	-61.91
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1	REAL300012692837	0	55	0.0	-66.74	409.10	9.96	-56.78
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)[NH+]2CCCC2)=C1	REAL300012692838	0	57	0.0	-74.85	431.08	5.84	-69.01
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)[NH+]2CCCC2)=C1	REAL300012692839	0	59	0.0	-73.99	435.49	9.67	-64.32
COCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692840	0	56	0.0	-69.94	432.64	7.05	-62.89
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)[NH+]2CCCC2)=C1	REAL300012692841	0	59	0.0	-73.67	429.71	9.26	-64.41
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)[NH+]2CCCC2)=C1	REAL300012692842	0	56	0.0	-69.59	420.83	7.84	-61.75
COC1=CC=CC(C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692843	0	54	0.0	-82.29	408.47	6.31	-75.98
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CCOC2)[NH+]2CCCC2)=C1	REAL300012692844	0	57	0.0	-67.13	429.28	6.85	-60.28
COC1=CC=CC(C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692845	0	57	0.0	-81.12	420.05	10.86	-70.26
COC1=CC=CC(C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)[NH+]2CCCC2)=C1	REAL300012692846	0	55	0.0	-75.22	405.48	7.45	-67.77
COC1=CC=CC(C(CNC(=O)N2CC(C)CCC2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692847	0	59	0.0	-78.07	428.78	11.66	-66.41
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+]2CCCC2)=C1	REAL300012692848	0	56	0.0	-64.47	418.86	8.78	-55.69
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+]2CCCC2)=C1	REAL300012692849	0	56	0.0	-64.47	418.86	8.78	-55.69
COC1=CC=CC(C(CNC(=O)N2CCC(C)C2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692850	0	56	0.0	-75.86	412.50	9.06	-66.80
C=CCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692851	0	53	0.0	-69.57	412.48	8.39	-61.18
COC1=CC=CC(C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692852	0	57	0.0	-38.23	413.94	9.77	-28.46
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC(OC)C2)[NH+]2CCCC2)=C1	REAL300012692853	0	57	0.0	-77.49	433.91	7.61	-69.88
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)[NH+]2CCCC2)=C1	REAL300012692854	0	53	0.0	-73.36	408.77	8.66	-64.70
COC1=CC=CC(C(CNC(=O)N[C@@]2(C(=O)[O-])C[C@@H](OC)C2)[NH+]2CCCC2)=C1	REAL300012692855	0	57	0.0	-70.78	424.87	6.41	-64.37
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1	REAL300012692856	0	59	0.0	-78.61	429.81	11.53	-67.08
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])COC2)[NH+]2CCCC2)=C1	REAL300012692857	0	51	0.0	-66.34	384.48	4.58	-61.76
COC1=CC=CC(C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+]2CCCC2)=C1	REAL300012692858	0	58	0.0	-64.96	418.26	8.92	-56.04
COC1=CC=CC(C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692859	0	54	0.0	-76.76	404.10	10.88	-65.88
COC1=CC=CC(C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692860	0	57	0.0	-71.90	424.85	9.95	-61.95
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1	REAL300012692861	0	58	0.0	-61.84	417.10	9.64	-52.20
COC1=CC=CC(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692862	0	53	0.0	-68.95	404.44	9.94	-59.01
COC1=CC=CC(C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692863	0	55	0.0	-43.12	407.23	9.56	-33.56
COC1=CC=CC(C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692864	0	59	0.0	-78.23	434.32	10.49	-67.74
COC1=CC=CC(C(CNC(=O)NC(CCC(C)C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692865	0	61	0.0	-69.67	459.53	10.05	-59.62
COC1=CC=CC(C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)[NH+]2CCCC2)=C1	REAL300012692866	0	57	0.0	-76.04	421.68	9.77	-66.27
COC1=CC=CC(C(CNC(=O)NC(C(=O)[O-])C2CCCC2)[NH+]2CCCC2)=C1	REAL300012692867	0	59	0.0	-71.15	435.41	9.45	-61.70
COC1=CC=CC(C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)[NH+]2CCCC2)=C1	REAL300012692868	0	56	0.0	-68.53	422.39	6.09	-62.44
COC1=CC=CC(C(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)[NH+]2CCCC2)=C1	REAL300012692869	0	56	0.0	-72.63	415.40	8.58	-64.05
COC1=CC=CC(C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692870	0	59	0.0	-48.79	438.04	10.64	-38.15
COC1=CC=CC(C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692871	0	53	0.0	-75.64	409.85	9.98	-65.66
COCCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692872	0	59	0.0	-68.52	454.38	7.77	-60.75
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1	REAL300012692873	0	58	0.0	-61.42	425.36	9.74	-51.68
CCOCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012692874	0	56	0.0	-71.15	432.92	7.14	-64.01
COC1=CC=CC(C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692875	0	61	0.0	-64.54	449.21	10.33	-54.21
COC1=CC=CC(C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692876	0	57	0.0	-76.42	419.17	9.33	-67.09
COC1=CC=CC(C(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692877	0	53	0.0	-72.35	419.83	8.48	-63.87
COC1=CC=CC(C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300012692878	0	52	0.0	-61.21	389.24	8.77	-52.44
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692879	0	54	0.0	-63.02	419.66	10.34	-52.68
C=CCOCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692880	0	53	0.0	-70.24	428.24	8.48	-61.76
C=CC(C)C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692881	0	52	0.0	-60.09	410.45	9.78	-50.31
CC1CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012692882	0	55	0.0	-76.66	403.23	12.23	-64.43
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692883	0	51	0.0	-41.50	401.05	11.25	-30.25
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CCC1	REAL300012692884	0	55	0.0	-45.88	412.83	11.85	-34.03
CCCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(CC)C(=O)[O-]	REAL300012692885	0	57	0.0	-66.06	427.82	12.21	-53.85
CC(C)C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692886	0	51	0.0	-61.37	392.74	9.00	-52.37
O=C([O-])C1CCCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692887	0	52	0.0	-77.40	389.70	12.17	-65.23
O=C([O-])C1CSCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692888	0	50	0.0	-74.58	390.05	11.85	-62.73
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCCCC1	REAL300012692889	0	55	0.0	-74.34	410.49	11.20	-63.14
O=C([O-])C1CCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692890	0	49	0.0	-69.00	379.72	10.92	-58.08
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCCC1	REAL300012692891	0	52	0.0	-66.73	395.39	10.08	-56.65
O=C([O-])CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692892	0	42	0.0	-55.08	339.00	6.85	-48.23
CCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692893	0	48	0.0	-68.08	381.38	8.75	-59.33
CC(C)C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692894	0	51	0.0	-61.37	392.74	9.00	-52.37
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692895	0	45	0.0	-67.61	357.74	9.51	-58.10
CC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692896	0	45	0.0	-57.26	360.11	7.63	-49.63
CCC(C)C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692897	0	54	0.0	-63.38	412.86	9.65	-53.73
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692898	0	45	0.0	-67.61	357.74	9.51	-58.10
O=C([O-])C1CCCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692899	0	52	0.0	-77.40	389.70	12.17	-65.23
CCCC(C)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692900	0	54	0.0	-62.42	407.26	9.81	-52.61
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692901	0	51	0.0	-44.59	389.62	10.76	-33.83
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CC1	REAL300012692902	0	49	0.0	-52.44	380.71	11.33	-41.11
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692903	0	49	0.0	-41.39	392.37	11.05	-30.34
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692904	0	54	0.0	-41.43	415.69	11.77	-29.66
CC(C)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692905	0	48	0.0	-54.24	372.37	8.07	-46.17
CC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)(C(=O)[O-])C1CC1	REAL300012692906	0	52	0.0	-71.09	394.59	10.14	-60.95
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCCCC1	REAL300012692907	0	55	0.0	-74.34	410.49	11.20	-63.14
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692908	0	51	0.0	-44.59	389.62	10.76	-33.83
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692909	0	51	0.0	-41.50	401.05	11.25	-30.25
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692910	0	48	0.0	-68.14	379.55	10.49	-57.65
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692911	0	54	0.0	-63.66	412.21	9.96	-53.70
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCCC1	REAL300012692912	0	52	0.0	-66.73	395.39	10.08	-56.65
CCC(C)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692913	0	51	0.0	-62.10	385.76	9.07	-53.03
C[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692914	0	45	0.0	-58.46	349.91	6.71	-51.75
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692915	0	48	0.0	-68.14	379.55	10.49	-57.65
C[C@@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692916	0	45	0.0	-58.07	359.14	7.99	-50.08
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CC1	REAL300012692917	0	46	0.0	-69.69	365.30	9.21	-60.48
O=C([O-])C1COCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692918	0	50	0.0	-75.10	380.77	9.51	-65.59
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CC1	REAL300012692919	0	49	0.0	-61.33	388.53	9.17	-52.16
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692920	0	52	0.0	-42.19	410.93	9.67	-32.52
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692921	0	49	0.0	-68.57	381.16	10.55	-58.02
O=C([O-])[C@H]1CCCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692922	0	52	0.0	-77.33	389.53	12.05	-65.28
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692923	0	48	0.0	-65.38	369.58	9.96	-55.42
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692924	0	49	0.0	-75.99	379.61	10.52	-65.47
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCC1	REAL300012692925	0	49	0.0	-68.00	382.09	9.72	-58.28
C=CCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692926	0	49	0.0	-67.88	394.66	9.21	-58.67
CC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692927	0	52	0.0	-68.61	396.80	11.46	-57.15
O=C([O-])C1CCCCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692928	0	55	0.0	-66.11	407.07	12.13	-53.98
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CC1	REAL300012692929	0	49	0.0	-61.33	388.53	9.17	-52.16
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692930	0	48	0.0	-63.30	372.14	9.64	-53.66
CCCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692931	0	54	0.0	-68.11	424.38	10.30	-57.81
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692932	0	52	0.0	-70.77	397.62	11.15	-59.62
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CCCC1	REAL300012692933	0	55	0.0	-54.50	413.91	12.34	-42.16
COCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692934	0	49	0.0	-69.17	393.34	6.98	-62.19
CCCCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692935	0	57	0.0	-68.09	445.88	11.08	-57.01
CN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1(C(=O)[O-])CCCC1	REAL300012692936	0	55	0.0	-68.45	406.27	11.78	-56.67
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CC1	REAL300012692937	0	52	0.0	-50.42	395.02	11.31	-39.11
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CC1	REAL300012692938	0	55	0.0	-57.43	416.67	12.46	-44.97
COCC(C)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692939	0	52	0.0	-66.76	404.00	8.35	-58.41
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692940	0	55	0.0	-64.68	424.00	9.99	-54.69
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692941	0	54	0.0	-41.43	415.69	11.77	-29.66
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CC1	REAL300012692942	0	49	0.0	-52.44	380.71	11.33	-41.11
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCOC1	REAL300012692943	0	50	0.0	-68.18	386.48	7.52	-60.66
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCOCC1	REAL300012692944	0	53	0.0	-66.05	401.91	8.72	-57.33
C=CCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692945	0	52	0.0	-68.06	415.69	10.08	-57.98
O=C([O-])C(CF)NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692946	0	45	0.0	-54.35	363.72	7.66	-46.69
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692947	0	48	0.0	-63.30	372.14	9.64	-53.66
CCC(CC)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692948	0	54	0.0	-63.24	402.43	9.95	-53.29
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692949	0	54	0.0	-40.48	412.69	12.06	-28.42
CCC(COC)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692950	0	55	0.0	-74.83	420.45	9.26	-65.57
O=C([O-])C(CC1CC1)NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692951	0	52	0.0	-62.55	412.58	10.57	-51.98
COCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692952	0	52	0.0	-68.60	415.05	7.81	-60.79
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692953	0	57	0.0	-64.71	430.95	12.16	-52.55
O=C([O-])C(CC(F)F)NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692954	0	48	0.0	-68.46	393.73	9.04	-59.42
CCCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012692955	0	54	0.0	-46.47	403.16	12.30	-34.17
O=C([O-])C(CCF)NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692956	0	48	0.0	-67.50	387.97	8.89	-58.61
CC(CCF)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692957	0	51	0.0	-59.44	392.35	9.21	-50.23
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692958	0	48	0.0	-66.18	361.86	8.71	-57.47
O=C([O-])C12CC(C1)CN2C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692959	0	50	0.0	-75.84	386.71	11.72	-64.12
CC(C)(C)[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692960	0	54	0.0	-63.83	411.75	10.12	-53.71
C=C(C)CC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692961	0	52	0.0	-69.60	414.75	9.99	-59.61
O=C([O-])C12CCC(CC1)N2C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692962	0	53	0.0	-83.08	402.02	12.03	-71.05
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692963	0	49	0.0	-74.50	386.87	10.30	-64.20
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300012692964	0	50	0.0	-77.42	384.86	9.70	-67.72
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692965	0	54	0.0	-63.02	419.66	10.34	-52.68
O=C([O-])C(CC1CC1)NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692966	0	52	0.0	-62.55	412.58	10.57	-51.98
CSCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692967	0	49	0.0	-64.41	405.08	9.11	-55.30
COC[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692968	0	49	0.0	-63.27	393.48	6.92	-56.35
CC[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692969	0	48	0.0	-61.67	380.79	8.70	-52.97
CCC(C)CC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692970	0	57	0.0	-70.06	438.33	10.64	-59.42
C=CCCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692971	0	55	0.0	-68.67	437.43	10.81	-57.86
O=C([O-])C1CSCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692972	0	50	0.0	-74.58	390.05	11.85	-62.73
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692973	0	49	0.0	-68.57	381.16	10.55	-58.02
CCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692974	0	51	0.0	-68.04	402.88	9.52	-58.52
CC(C)[C@@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692975	0	51	0.0	-69.94	398.00	9.58	-60.36
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692976	0	53	0.0	-80.90	401.51	12.04	-68.86
CCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012692977	0	54	0.0	-72.94	405.95	11.44	-61.50
CCCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012692978	0	54	0.0	-46.47	403.16	12.30	-34.17
CN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012692979	0	51	0.0	-72.85	386.85	10.58	-62.27
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692980	0	49	0.0	-75.99	379.61	10.52	-65.47
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692981	0	50	0.0	-73.88	382.93	5.82	-68.06
CCC[C@@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692982	0	51	0.0	-69.10	402.22	9.84	-59.26
C=CCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692983	0	52	0.0	-68.06	415.69	10.08	-57.98
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692984	0	52	0.0	-76.46	396.75	11.46	-65.00
CC(C)[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692985	0	51	0.0	-61.38	392.73	9.00	-52.38
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692986	0	48	0.0	-66.18	361.86	8.71	-57.47
CCC[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692987	0	51	0.0	-61.91	401.65	9.80	-52.11
CCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012692988	0	51	0.0	-64.50	389.33	10.52	-53.98
O=C([O-])CN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CCCC1	REAL300012692989	0	55	0.0	-54.50	413.91	12.34	-42.16
CC(CN(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692990	0	51	0.0	-69.15	391.97	10.15	-59.00
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692991	0	54	0.0	-63.66	412.21	9.96	-53.70
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692992	0	51	0.0	-59.63	391.36	11.14	-48.49
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CC(CO)C1	REAL300012692993	0	53	0.0	-73.50	414.36	7.00	-66.50
CC1CCC(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012692994	0	55	0.0	-73.84	417.04	10.74	-63.10
COCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012692995	0	52	0.0	-68.60	415.05	7.81	-60.79
CC1(C)CC(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012692996	0	55	0.0	-68.81	418.30	11.41	-57.40
CC1(C(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C(=O)[O-])CC1	REAL300012692997	0	52	0.0	-62.95	409.64	10.13	-52.82
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012692998	0	50	0.0	-82.08	390.65	7.44	-74.64
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CCOC1	REAL300012692999	0	53	0.0	-61.47	413.20	8.04	-53.43
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012693000	0	53	0.0	-74.03	401.78	12.05	-61.98
O=C([O-])C12COC(CN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C2	REAL300012693001	0	51	0.0	-74.35	395.40	9.86	-64.49
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300012693002	0	55	0.0	-76.90	410.53	12.75	-64.15
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CCC1	REAL300012693003	0	52	0.0	-70.41	407.73	10.06	-60.35
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CCC1	REAL300012693004	0	52	0.0	-70.41	407.73	10.06	-60.35
CC1CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1C(=O)[O-]	REAL300012693005	0	52	0.0	-70.23	401.09	11.21	-59.02
C=CCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012693006	0	49	0.0	-67.88	394.66	9.21	-58.67
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012693007	0	53	0.0	-36.34	395.22	11.47	-24.87
COC1CC(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012693008	0	53	0.0	-77.02	415.46	8.68	-68.34
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012693009	0	53	0.0	-65.01	414.06	8.98	-56.03
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012693010	0	55	0.0	-77.80	412.77	12.59	-65.21
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)COC1	REAL300012693011	0	47	0.0	-62.68	373.06	6.73	-55.95
CC(C)C(C)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012693012	0	54	0.0	-63.34	402.50	9.74	-53.60
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012693013	0	50	0.0	-79.34	387.42	11.69	-67.65
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012693014	0	53	0.0	-71.28	402.89	11.28	-60.00
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012693015	0	54	0.0	-65.62	406.31	11.48	-54.14
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012693016	0	49	0.0	-74.50	386.87	10.30	-64.20
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012693017	0	51	0.0	-34.54	387.23	11.36	-23.18
CC1(C)CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1C(=O)[O-]	REAL300012693018	0	55	0.0	-78.18	403.75	10.37	-67.81
CC(C)CCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012693019	0	57	0.0	-68.41	441.95	10.82	-57.59
O=C([O-])C1(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCC2CC21	REAL300012693020	0	53	0.0	-67.87	403.45	10.95	-56.92
O=C([O-])C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CCCC1	REAL300012693021	0	55	0.0	-69.17	417.79	10.28	-58.89
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012693022	0	52	0.0	-71.22	401.90	6.95	-64.27
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012693023	0	52	0.0	-75.88	403.98	10.75	-65.13
CC1(C)CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300012693024	0	55	0.0	-50.82	419.59	11.71	-39.11
COCCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012693025	0	55	0.0	-66.85	436.55	8.59	-58.26
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012693026	0	54	0.0	-64.37	414.08	11.48	-52.89
CCOCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012693027	0	52	0.0	-69.54	415.20	7.95	-61.59
CC(C)(C)CC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012693028	0	57	0.0	-64.95	432.63	11.10	-53.85
C[C@H]1OCCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)[C@@H]1C(=O)[O-]	REAL300012693029	0	53	0.0	-75.02	401.01	10.41	-64.61
N#CCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300012693030	0	49	0.0	-71.35	402.47	9.19	-62.16
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300012693031	0	48	0.0	-65.38	369.58	9.96	-55.42
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693032	1	50	0.0	-74.47	393.44	8.77	-65.70
C=CCOCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693033	1	49	0.0	-66.82	401.03	7.31	-59.51
C=CC(C)C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693034	1	48	0.0	-72.41	386.09	8.62	-63.79
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CC=C1Cl	REAL300012693035	1	52	0.0	-68.51	398.48	7.34	-61.17
COC1CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C(C(=O)[O-])C1	REAL300012693036	1	52	0.0	-82.32	395.97	9.55	-72.77
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CC=CC=C1Cl	REAL300012693037	1	52	0.0	-65.55	399.53	7.93	-57.62
CC1CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C(C(=O)[O-])C1	REAL300012693038	1	51	0.0	-81.85	379.47	10.79	-71.06
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693039	1	47	0.0	-55.29	373.98	10.04	-45.25
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C1CCC1	REAL300012693040	1	51	0.0	-47.11	386.50	10.39	-36.72
CCCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012693041	1	54	0.0	-64.47	412.22	9.71	-54.76
CCCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012693042	1	53	0.0	-63.59	400.26	10.90	-52.69
CC(C)C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693043	1	47	0.0	-73.61	371.59	8.05	-65.56
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693044	1	48	0.0	-81.94	364.36	10.66	-71.28
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693045	1	46	0.0	-80.32	366.06	10.73	-69.59
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CC=C1Cl	REAL300012693046	1	51	0.0	-69.88	384.58	10.32	-59.56
C[NH+](C)C(CNC(=O)N1CCCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693047	1	45	0.0	-80.21	353.31	9.38	-70.83
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC=C1Cl	REAL300012693048	1	48	0.0	-69.80	369.81	8.58	-61.22
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C1=CC=CC=C1Cl	REAL300012693049	1	54	0.0	-70.57	390.24	10.99	-59.58
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693050	1	51	0.0	-68.12	412.98	10.49	-57.63
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CC=C1Cl	REAL300012693051	1	51	0.0	-58.29	411.36	12.90	-45.39
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1Cl	REAL300012693052	1	48	0.0	-73.65	389.64	10.24	-63.41
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1Cl	REAL300012693053	1	48	0.0	-72.39	390.08	9.57	-62.82
CCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693054	1	44	0.0	-65.47	354.31	7.54	-57.93
CC(C)C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693055	1	47	0.0	-73.61	371.59	8.05	-65.56
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693056	1	41	0.0	-65.75	330.67	8.31	-57.44
C[NH+](C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693057	1	51	0.0	-68.12	412.98	10.49	-57.63
CC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693058	1	41	0.0	-58.89	333.04	6.42	-52.47
CCC(C)C(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693059	1	50	0.0	-66.87	389.54	8.68	-58.19
CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693060	1	41	0.0	-65.75	330.67	8.31	-57.44
C[NH+](C)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693061	1	48	0.0	-81.94	364.36	10.66	-71.28
CCCC(C)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693062	1	50	0.0	-66.06	380.19	8.61	-57.45
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693063	1	47	0.0	-56.28	362.38	9.58	-46.70
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300012693064	1	45	0.0	-56.88	355.22	9.74	-47.14
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693065	1	45	0.0	-54.95	365.29	9.85	-45.10
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693066	1	50	0.0	-54.82	388.39	10.35	-44.47
C[NH+](C)C(CNC(=O)NC(C)(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693067	1	44	0.0	-58.14	345.30	6.85	-51.29
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300012693068	1	48	0.0	-67.59	368.70	9.23	-58.36
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1=CC=CC=C1Cl	REAL300012693069	1	45	0.0	-71.20	382.22	9.29	-61.91
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CC=C1Cl	REAL300012693070	1	51	0.0	-69.88	384.58	10.32	-59.56
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693071	1	47	0.0	-56.28	362.38	9.58	-46.70
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693072	1	47	0.0	-55.29	373.98	10.04	-45.25
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693073	1	44	0.0	-65.80	352.49	9.29	-56.51
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693074	1	50	0.0	-72.86	384.14	8.41	-64.45
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC=C1Cl	REAL300012693075	1	48	0.0	-69.80	369.81	8.58	-61.22
CCC(C)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693076	1	47	0.0	-65.79	358.69	7.85	-57.94
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1Cl	REAL300012693077	1	51	0.0	-74.40	398.27	10.32	-64.08
C[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693078	1	41	0.0	-61.79	332.91	6.44	-55.35
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693079	1	44	0.0	-65.80	352.49	9.29	-56.51
CCCCCCC(C)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693080	1	59	0.0	-66.19	444.69	10.94	-55.25
C[C@@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693081	1	41	0.0	-58.36	332.72	6.46	-51.90
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300012693082	1	42	0.0	-73.63	338.87	7.68	-65.95
C[NH+](C)C(CNC(=O)N1CCOCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693083	1	46	0.0	-77.22	355.55	7.99	-69.23
CN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300012693084	1	54	0.0	-73.53	394.46	11.04	-62.49
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300012693085	1	45	0.0	-74.22	364.49	8.00	-66.22
CN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012693086	1	51	0.0	-71.21	401.59	11.42	-59.79
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693087	1	48	0.0	-55.39	383.86	8.47	-46.92
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693088	1	45	0.0	-80.81	355.25	9.09	-71.72
C[NH+](C)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693089	1	48	0.0	-80.32	364.10	10.35	-69.97
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693090	1	44	0.0	-64.80	344.72	8.37	-56.43
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693091	1	45	0.0	-73.24	352.45	9.99	-63.25
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC1)C1=CC=CC=C1Cl	REAL300012693092	1	45	0.0	-79.08	355.12	8.78	-70.30
C=CCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693093	1	45	0.0	-65.03	367.59	7.99	-57.04
C[NH+](C)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693094	1	48	0.0	-72.68	369.51	10.56	-62.12
C[NH+](C)C(CNC(=O)N1CCCCCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693095	1	51	0.0	-83.10	377.16	10.97	-72.13
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300012693096	1	45	0.0	-74.22	364.49	8.00	-66.22
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693097	1	44	0.0	-68.89	344.64	8.54	-60.35
CCCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693098	1	50	0.0	-65.97	397.55	9.02	-56.95
C[NH+](C)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693099	1	48	0.0	-81.65	370.63	9.92	-71.73
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CC=C1Cl	REAL300012693100	1	51	0.0	-54.62	388.82	10.86	-43.76
COCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693101	1	45	0.0	-66.84	366.41	5.71	-61.13
CCCCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693102	1	53	0.0	-65.93	419.05	9.80	-56.13
CCC1CCC(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)(C(=O)[O-])CC1	REAL300012693103	1	57	0.0	-65.34	417.30	10.84	-54.50
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=CC=C1Cl	REAL300012693104	1	52	0.0	-55.20	397.27	9.19	-46.01
CN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300012693105	1	51	0.0	-72.37	379.12	10.83	-61.54
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C1CC1	REAL300012693106	1	48	0.0	-59.60	370.16	9.75	-49.85
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C1CC1	REAL300012693107	1	51	0.0	-46.74	390.88	10.89	-35.85
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1=CC=CC=C1Cl	REAL300012693108	1	48	0.0	-72.51	395.73	9.73	-62.78
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693109	1	57	0.0	-65.86	434.64	10.71	-55.15
CC1=CC=C(C(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C(=O)[O-])C=C1	REAL300012693110	1	51	0.0	-73.67	412.61	10.84	-62.83
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693111	1	44	0.0	-61.28	370.49	8.16	-53.12
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)C1=CC=CC=C1Cl	REAL300012693112	1	49	0.0	-66.56	381.78	9.38	-57.18
COCC(C)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693113	1	48	0.0	-70.50	376.94	7.14	-63.36
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693114	1	51	0.0	-63.66	396.94	8.79	-54.87
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693115	1	50	0.0	-54.82	388.39	10.35	-44.47
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300012693116	1	45	0.0	-56.88	355.22	9.74	-47.14
C[NH+](C)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1=CC=CC=C1Cl	REAL300012693117	1	47	0.0	-56.49	392.12	10.42	-46.07
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CC=CC=C1Cl	REAL300012693118	1	46	0.0	-71.55	360.93	6.02	-65.53
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CC=C1Cl	REAL300012693119	1	54	0.0	-66.95	407.63	9.76	-57.19
CN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300012693120	1	55	0.0	-70.91	423.01	10.22	-60.69
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1Cl	REAL300012693121	1	49	0.0	-69.45	375.50	7.20	-62.25
C=CCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693122	1	48	0.0	-65.91	388.86	8.80	-57.11
C[NH+](C)C(CNC(=O)NC(CF)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693123	1	41	0.0	-56.41	336.34	6.47	-49.94
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693124	1	44	0.0	-68.89	344.64	8.54	-60.35
CCC(CC)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693125	1	50	0.0	-66.90	375.07	8.74	-58.16
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693126	1	50	0.0	-54.52	383.20	10.62	-43.90
CCC(COC)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693127	1	51	0.0	-71.62	393.38	8.05	-63.57
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693128	1	54	0.0	-64.04	417.21	9.54	-54.50
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693129	1	48	0.0	-73.03	386.16	9.03	-64.00
COCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693130	1	48	0.0	-66.04	388.23	6.54	-59.50
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693131	1	53	0.0	-62.57	403.88	10.96	-51.61
C[NH+](C)C(CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693132	1	44	0.0	-60.58	364.93	8.06	-52.52
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693133	1	54	0.0	-71.93	406.00	12.15	-59.78
CCCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(C)C(=O)[O-]	REAL300012693134	1	50	0.0	-45.85	382.50	10.89	-34.96
C[NH+](C)C(CNC(=O)NC(CCF)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693135	1	44	0.0	-65.07	361.15	7.61	-57.46
COC1(CC(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C(=O)[O-])CCC1	REAL300012693136	1	55	0.0	-75.05	423.85	8.90	-66.15
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=CC=C1Cl	REAL300012693137	1	52	0.0	-55.20	397.27	9.19	-46.01
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C1=CC=CC=C1Cl	REAL300012693138	1	54	0.0	-54.76	406.23	11.56	-43.20
C[C@H]1CC[C@@](NC(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)(C(=O)[O-])CC1	REAL300012693139	1	54	0.0	-79.42	398.05	10.06	-69.36
C[NH+](C)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693140	1	47	0.0	-63.09	365.28	7.99	-55.10
C[NH+](C)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693141	1	49	0.0	-50.67	386.67	10.65	-40.02
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693142	1	45	0.0	-69.85	367.28	9.25	-60.60
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693143	1	44	0.0	-69.04	346.06	8.59	-60.45
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1=CC=CC=C1Cl	REAL300012693144	1	57	0.0	-81.47	409.84	11.06	-70.41
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC=CC=C1Cl	REAL300012693145	1	46	0.0	-84.72	361.81	10.09	-74.63
COC1CN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012693146	1	52	0.0	-71.95	404.24	9.55	-62.40
C[NH+](C)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693147	1	55	0.0	-65.77	425.70	8.37	-57.40
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC=CC=C1Cl	REAL300012693148	1	50	0.0	-67.80	384.49	9.19	-58.61
C=C(Cl)CC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693149	1	45	0.0	-61.84	383.03	8.60	-53.24
C=C(C)CC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693150	1	48	0.0	-66.86	387.69	8.78	-58.08
C[NH+](C)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CC=CC=C1Cl	REAL300012693151	1	49	0.0	-86.66	374.82	10.84	-75.82
C[NH+](C)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693152	1	45	0.0	-74.69	367.14	9.25	-65.44
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693153	1	45	0.0	-79.28	359.98	9.48	-69.80
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C1	REAL300012693154	1	46	0.0	-72.70	368.35	9.49	-63.21
C[NH+](C)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693155	1	55	0.0	-75.18	425.18	8.30	-66.88
CC(C)C[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693156	1	50	0.0	-74.47	393.44	8.77	-65.70
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=CC=C1Cl	REAL300012693157	1	52	0.0	-68.51	398.48	7.34	-61.17
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1Cl	REAL300012693158	1	48	0.0	-72.39	390.08	9.57	-62.82
C[NH+](C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693159	1	48	0.0	-73.03	386.16	9.03	-64.00
C[NH+](C)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693160	1	47	0.0	-70.26	398.69	7.67	-62.59
CC(C)CCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693161	1	56	0.0	-65.41	436.38	10.38	-55.03
C[NH+](C)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693162	1	52	0.0	-76.54	411.58	7.88	-68.66
CSCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693163	1	45	0.0	-63.18	378.01	7.89	-55.29
COC[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693164	1	45	0.0	-75.00	366.60	5.71	-69.29
CC[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693165	1	44	0.0	-73.39	353.90	7.48	-65.91
CCC(C)CC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693166	1	53	0.0	-66.53	411.20	9.40	-57.13
C=CCCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693167	1	51	0.0	-66.16	410.36	9.58	-56.58
C[NH+](C)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693168	1	46	0.0	-80.32	366.06	10.73	-69.59
C[NH+](C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1Cl	REAL300012693169	1	51	0.0	-74.40	398.27	10.32	-64.08
C[NH+](C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693170	1	45	0.0	-80.81	355.25	9.09	-71.72
CCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693171	1	47	0.0	-65.40	375.81	8.30	-57.10
CC(C)[C@@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693172	1	47	0.0	-65.41	365.99	7.88	-57.53
C[NH+](C)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693173	1	49	0.0	-83.86	374.28	11.48	-72.38
CCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012693174	1	50	0.0	-69.28	379.00	10.26	-59.02
CCCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(C)C(=O)[O-]	REAL300012693175	1	50	0.0	-45.85	382.50	10.89	-34.96
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CC=C1Cl	REAL300012693176	1	44	0.0	-62.09	368.35	9.58	-52.51
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=CC=C1Cl	REAL300012693177	1	44	0.0	-62.09	368.35	9.58	-52.51
CN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012693178	1	47	0.0	-69.41	359.57	9.37	-60.04
C[NH+](C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693179	1	45	0.0	-73.24	352.45	9.99	-63.25
C[NH+](C)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693180	1	46	0.0	-75.08	365.33	5.68	-69.40
CCC[C@@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693181	1	47	0.0	-65.39	375.81	8.30	-57.09
C[NH+](C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1Cl	REAL300012693182	1	48	0.0	-73.65	389.64	10.24	-63.41
C=CCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693183	1	48	0.0	-65.91	388.86	8.80	-57.11
C[NH+](C)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693184	1	47	0.0	-68.94	399.26	7.55	-61.39
CN1CC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)CC1=O	REAL300012693185	1	49	0.0	-71.83	382.50	8.72	-63.11
C[NH+](C)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693186	1	48	0.0	-74.94	370.45	9.95	-64.99
CC(C)[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693187	1	47	0.0	-73.41	367.24	7.80	-65.61
C[NH+](C)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1Cl	REAL300012693188	1	48	0.0	-73.54	390.26	9.56	-63.98
C[NH+](C)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693189	1	51	0.0	-72.85	404.68	8.89	-63.96
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693190	1	44	0.0	-69.04	346.06	8.59	-60.45
CCC[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693191	1	47	0.0	-74.04	376.24	8.24	-65.80
CCN(C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(C)C(=O)[O-]	REAL300012693192	1	47	0.0	-62.82	361.74	9.21	-53.61
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CC=C1Cl	REAL300012693193	1	51	0.0	-54.62	388.82	10.86	-43.76
CC(CN(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693194	1	47	0.0	-77.00	366.84	9.23	-67.77
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693195	1	50	0.0	-72.86	384.14	8.41	-64.45
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693196	1	47	0.0	-70.07	364.98	9.46	-60.61
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CC=CC=C1Cl	REAL300012693197	1	49	0.0	-78.01	389.14	5.51	-72.50
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693198	1	57	0.0	-73.98	435.78	8.75	-65.23
CC1CCC(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)(C(=O)[O-])C1	REAL300012693199	1	51	0.0	-77.20	391.49	9.24	-67.96
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1=CC=CC=C1Cl	REAL300012693200	1	54	0.0	-69.60	400.94	9.98	-59.62
COCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693201	1	48	0.0	-66.04	388.23	6.54	-59.50
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CC=CC=C1Cl	REAL300012693202	1	51	0.0	-72.48	392.10	9.90	-62.58
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=CC=C1Cl	REAL300012693203	1	48	0.0	-68.58	378.67	9.47	-59.11
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693204	1	57	0.0	-66.83	438.93	8.65	-58.18
C[NH+](C)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693205	1	46	0.0	-86.50	366.38	5.90	-80.60
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CC=CC=C1Cl	REAL300012693206	1	49	0.0	-71.15	385.18	7.13	-64.02
C[NH+](C)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693207	1	49	0.0	-77.86	376.30	10.54	-67.32
C[NH+](C)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CC=CC=C1Cl	REAL300012693208	1	47	0.0	-79.77	367.92	8.20	-71.57
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C1	REAL300012693209	1	51	0.0	-81.50	385.20	11.25	-70.25
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693210	1	55	0.0	-65.59	422.53	11.33	-54.26
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC=C1Cl	REAL300012693211	1	48	0.0	-73.39	375.53	8.39	-65.00
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=CC=C1Cl	REAL300012693212	1	54	0.0	-66.95	407.63	9.76	-57.19
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC=C1Cl	REAL300012693213	1	48	0.0	-73.39	375.53	8.39	-65.00
CC1CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C1C(=O)[O-]	REAL300012693214	1	48	0.0	-73.81	369.50	9.55	-64.26
C=CCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693215	1	45	0.0	-65.03	367.59	7.99	-57.04
C[NH+](C)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693216	1	55	0.0	-78.32	429.27	9.28	-69.04
C[NH+](C)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1=CC=CC=C1Cl	REAL300012693217	1	55	0.0	-34.83	400.48	11.19	-23.64
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1=CC=CC=C1Cl	REAL300012693218	1	55	0.0	-79.41	405.75	8.54	-70.87
C[NH+](C)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693219	1	49	0.0	-37.76	376.23	10.39	-27.37
C[NH+](C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693220	1	55	0.0	-65.59	422.53	11.33	-54.26
COC1CC(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)(C(=O)[O-])C1	REAL300012693221	1	49	0.0	-81.51	390.34	7.19	-74.32
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1=CC=CC=C1Cl	REAL300012693222	1	45	0.0	-70.78	364.11	8.22	-62.56
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)(C(=O)[O-])C1	REAL300012693223	1	49	0.0	-75.73	387.95	7.44	-68.29
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693224	1	51	0.0	-71.81	384.51	11.42	-60.39
C[NH+](C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693225	1	44	0.0	-61.28	370.49	8.16	-53.12
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693226	1	52	0.0	-68.30	408.12	7.56	-60.74
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])COC1)C1=CC=CC=C1Cl	REAL300012693227	1	43	0.0	-66.20	346.50	5.23	-60.97
C[NH+](C)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693228	1	48	0.0	-75.14	404.86	9.53	-65.61
CC(C)C(C)(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693229	1	50	0.0	-73.93	373.61	8.48	-65.45
C[NH+](C)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693230	1	46	0.0	-83.44	359.69	11.11	-72.33
C[NH+](C)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693231	1	49	0.0	-77.19	377.13	10.17	-67.02
C[NH+](C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693232	1	57	0.0	-65.86	434.64	10.71	-55.15
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1=CC=CC=C1Cl	REAL300012693233	1	55	0.0	-66.48	415.51	10.78	-55.70
C[NH+](C)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693234	1	57	0.0	-65.94	434.38	10.79	-55.15
C[NH+](C)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693235	1	57	0.0	-74.05	434.68	10.71	-63.34
C[NH+](C)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693236	1	55	0.0	-35.29	415.19	11.36	-23.93
C[NH+](C)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693237	1	55	0.0	-82.85	412.98	11.11	-71.74
C=CCSCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693238	1	49	0.0	-63.13	412.29	9.35	-53.78
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693239	1	50	0.0	-63.08	379.25	10.28	-52.80
COC1(C(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C(=O)[O-])CCC1	REAL300012693240	1	52	0.0	-68.91	401.87	7.10	-61.81
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1=CC=CC=C1Cl	REAL300012693241	1	48	0.0	-81.03	389.11	9.01	-72.02
C[NH+](C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693243	1	45	0.0	-79.28	359.98	9.48	-69.80
C[NH+](C)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693244	1	47	0.0	-47.91	369.41	10.20	-37.71
C[NH+](C)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693245	1	51	0.0	-74.25	385.00	10.91	-63.34
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693246	1	55	0.0	-81.37	410.51	12.38	-68.99
CC(C)CCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693247	1	53	0.0	-66.17	415.12	9.54	-56.63
C[NH+](C)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693248	1	52	0.0	-48.41	401.12	10.82	-37.59
C[NH+](C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693249	1	52	0.0	-68.30	408.12	7.56	-60.74
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C1	REAL300012693250	1	49	0.0	-72.36	398.40	10.37	-61.99
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1=CC=CC=C1Cl	REAL300012693251	1	52	0.0	-80.50	389.92	10.33	-70.17
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CC=CC=C1Cl	REAL300012693252	1	49	0.0	-80.53	377.57	10.05	-70.48
C[NH+](C)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1=CC=CC=C1Cl	REAL300012693253	1	52	0.0	-70.12	398.81	10.44	-59.68
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CC=CC=C1Cl	REAL300012693254	1	51	0.0	-73.17	391.57	9.09	-64.08
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693255	1	48	0.0	-74.86	384.74	6.71	-68.15
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693256	1	48	0.0	-79.28	378.63	9.29	-69.99
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=CC=C1Cl	REAL300012693257	1	51	0.0	-58.29	411.36	12.90	-45.39
C[NH+](C)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693258	1	51	0.0	-45.15	395.52	10.24	-34.91
C[NH+](C)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693259	1	48	0.0	-78.65	375.21	10.50	-68.15
C[NH+](C)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693260	1	45	0.0	-77.12	364.36	10.10	-67.02
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693261	1	48	0.0	-74.47	403.81	9.40	-65.07
C[NH+](C)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693262	1	48	0.0	-72.97	382.50	10.05	-62.92
C[NH+](C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693263	1	48	0.0	-74.47	403.81	9.40	-65.07
C[NH+](C)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693264	1	52	0.0	-78.56	392.02	10.75	-67.81
COCCCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693265	1	51	0.0	-65.72	409.73	7.31	-58.41
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693266	1	50	0.0	-62.88	387.02	10.28	-52.60
CCOCC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300012693267	1	48	0.0	-67.14	388.27	6.69	-60.45
C[NH+](C)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693268	1	53	0.0	-73.84	404.23	9.92	-63.92
C[NH+](C)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C1=CC=CC=C1Cl	REAL300012693269	1	52	0.0	-68.41	405.05	7.62	-60.79
C[C@H]1OCCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012693270	1	49	0.0	-80.06	377.36	9.03	-71.03
C[NH+](C)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CC=CC=C1Cl	REAL300012693271	1	45	0.0	-67.11	375.17	8.04	-59.07
C[NH+](C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1=CC=CC=C1Cl	REAL300012693272	1	48	0.0	-59.16	393.01	11.04	-48.12
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300012693273	1	44	0.0	-64.80	344.72	8.37	-56.43
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C1	REAL300012693274	1	52	0.0	-70.41	408.47	9.46	-60.95
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCN2C=CN=C2)CC1	REAL300012693358	0	50	0.0	-61.20	387.95	6.76	-54.44
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CN3C=CC=CC3=N2)CC1	REAL300012693868	0	53	0.0	-74.78	418.16	7.91	-66.87
CC(C)C[C@H](NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694850	0	60	0.0	-76.24	457.06	10.43	-65.81
CC(C)C[C@H](NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694850	1	60	0.0	-76.62	450.27	10.12	-66.50
C=CCOCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694851	0	59	0.0	-76.59	464.77	8.97	-67.62
C=CCOCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694851	1	59	0.0	-78.01	465.81	8.91	-69.10
C=CC(C)C(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694852	0	58	0.0	-74.33	450.72	10.26	-64.07
C=CC(C)C(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694852	1	58	0.0	-74.41	442.92	9.97	-64.44
CC1CC(CCNC(=O)N2CCC(C)CC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694853	0	61	0.0	-85.86	443.99	12.62	-73.24
CC1CC(CCNC(=O)N2CCC(C)CC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694853	1	61	0.0	-84.89	449.65	12.63	-72.26
CCCN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694854	0	57	0.0	-63.95	438.62	11.68	-52.27
CCCN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694854	1	57	0.0	-62.47	437.72	11.70	-50.77
CC(C(=O)[O-])N(C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012694855	0	61	0.0	-55.29	447.01	12.95	-42.34
CC(C(=O)[O-])N(C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012694855	1	61	0.0	-59.98	439.44	12.44	-47.54
CCCN(C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012694856	0	63	0.0	-73.23	464.89	12.54	-60.69
CCCN(C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012694856	1	63	0.0	-72.40	464.87	12.73	-59.67
CC(C)C(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694857	0	57	0.0	-76.98	436.23	9.70	-67.28
CC(C)C(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694857	1	57	0.0	-75.54	428.02	9.42	-66.12
CC1CC(CCNC(=O)N2CCCCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694858	0	58	0.0	-85.68	423.16	12.02	-73.66
CC1CC(CCNC(=O)N2CCCCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694858	1	58	0.0	-84.90	428.84	12.09	-72.81
CC1CC(CCNC(=O)N2CCSCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694859	0	56	0.0	-82.83	421.89	11.90	-70.93
CC1CC(CCNC(=O)N2CCSCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694859	1	56	0.0	-82.07	428.52	12.26	-69.81
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694860	0	61	0.0	-78.40	440.98	11.02	-67.38
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694860	1	61	0.0	-79.02	447.77	11.35	-67.67
CC1CC(CCNC(=O)N2CCCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694861	0	55	0.0	-83.03	412.85	10.78	-72.25
CC1CC(CCNC(=O)N2CCCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694861	1	55	0.0	-83.21	418.73	10.72	-72.49
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694862	0	58	0.0	-78.93	426.75	9.90	-69.03
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694862	1	58	0.0	-79.18	433.23	10.27	-68.91
CC1CC(CCNC(=O)NCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694863	0	48	0.0	-65.71	370.28	6.95	-58.76
CC1CC(CCNC(=O)NCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694863	1	48	0.0	-65.69	376.57	7.26	-58.43
CC1CC(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694864	0	58	0.0	-76.94	447.79	10.86	-66.08
CC1CC(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012694864	1	58	0.0	-76.51	455.13	11.27	-65.24
CC1CC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694865	0	58	0.0	-76.10	454.20	11.28	-64.82
CC1CC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012694865	1	58	0.0	-76.92	455.37	11.20	-65.72
CCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694866	0	54	0.0	-76.53	419.19	9.13	-67.40
CCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694866	1	54	0.0	-74.53	412.07	8.82	-65.71
CC(C)C(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694867	0	57	0.0	-76.98	436.23	9.70	-67.28
CC(C)C(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694867	1	57	0.0	-75.54	428.02	9.42	-66.12
CC1CC(CCNC(=O)N(C)CC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694868	0	51	0.0	-75.44	389.02	9.64	-65.80
CC1CC(CCNC(=O)N(C)CC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694868	1	51	0.0	-74.41	395.31	9.95	-64.46
CC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694869	0	51	0.0	-66.41	397.19	8.12	-58.29
CC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694869	1	51	0.0	-66.50	391.07	7.79	-58.71
CCC(C)C(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694870	0	60	0.0	-74.92	452.30	10.35	-64.57
CCC(C)C(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694870	1	60	0.0	-76.46	442.84	9.84	-66.62
CC1CC(CCNC(=O)N(C)CC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694871	0	51	0.0	-75.44	389.02	9.64	-65.80
CC1CC(CCNC(=O)N(C)CC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694871	1	51	0.0	-74.41	395.31	9.95	-64.46
CC1CC(CCNC(=O)N2CCCCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694872	0	58	0.0	-85.68	423.16	12.02	-73.66
CC1CC(CCNC(=O)N2CCCCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694872	1	58	0.0	-84.90	428.84	12.09	-72.81
CCCC(C)(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694873	0	60	0.0	-75.40	444.83	10.25	-65.15
CCCC(C)(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694873	1	60	0.0	-75.35	438.54	9.93	-65.42
CC(C)N(CC(=O)[O-])C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694874	0	57	0.0	-64.08	429.02	11.34	-52.74
CC(C)N(CC(=O)[O-])C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694874	1	57	0.0	-62.00	426.53	11.21	-50.79
CC1CC(CCNC(=O)N(CC(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694875	0	55	0.0	-75.35	417.00	11.06	-64.29
CC1CC(CCNC(=O)N(CC(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694875	1	55	0.0	-75.39	421.13	11.33	-64.06
C=CCN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694876	0	55	0.0	-62.45	429.03	11.50	-50.95
C=CCN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694876	1	55	0.0	-63.72	429.93	11.49	-52.23
CC(C)CN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694877	0	60	0.0	-63.95	453.28	12.20	-51.75
CC(C)CN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694877	1	60	0.0	-61.87	452.13	12.00	-49.87
CC1CC(CCNC(=O)NC(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694878	0	54	0.0	-64.71	403.65	8.19	-56.52
CC1CC(CCNC(=O)NC(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694878	1	54	0.0	-64.74	409.94	8.50	-56.24
CC1CC(CCNC(=O)NC(C)(C(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694879	0	58	0.0	-76.15	431.89	10.25	-65.90
CC1CC(CCNC(=O)NC(C)(C(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694879	1	58	0.0	-77.57	432.77	10.24	-67.33
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694880	0	61	0.0	-78.40	440.98	11.02	-67.38
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694880	1	61	0.0	-79.02	447.77	11.35	-67.67
CC(C)N(CC(=O)[O-])C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694881	0	57	0.0	-64.08	429.02	11.34	-52.74
CC(C)N(CC(=O)[O-])C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694881	1	57	0.0	-62.00	426.53	11.21	-50.79
CCCN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694882	0	57	0.0	-63.95	438.62	11.68	-52.27
CCCN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694882	1	57	0.0	-62.47	437.72	11.70	-50.77
CCN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694883	0	54	0.0	-74.52	417.12	10.93	-63.59
CCN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694883	1	54	0.0	-74.55	411.01	10.73	-63.82
CC[C@H](C)[C@H](NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694884	0	60	0.0	-77.48	450.44	10.08	-67.40
CC[C@H](C)[C@H](NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694884	1	60	0.0	-75.63	448.81	10.13	-65.50
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694885	0	58	0.0	-78.93	426.75	9.90	-69.03
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694885	1	58	0.0	-79.18	433.23	10.27	-68.91
CCC(C)(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694886	0	57	0.0	-75.05	423.33	9.49	-65.56
CCC(C)(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694886	1	57	0.0	-74.41	422.43	9.51	-64.90
C[C@H](NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694887	0	51	0.0	-66.42	397.20	8.12	-58.30
C[C@H](NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694887	1	51	0.0	-65.83	396.30	8.14	-57.69
CCN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694888	0	54	0.0	-74.52	417.12	10.93	-63.59
CCN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694888	1	54	0.0	-74.55	411.01	10.73	-63.82
C[C@@H](NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694889	0	51	0.0	-66.45	397.67	8.06	-58.39
C[C@@H](NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694889	1	51	0.0	-66.61	390.10	7.73	-58.88
CC1CC(CCNC(=O)NC2(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694890	0	52	0.0	-81.43	397.28	9.02	-72.41
CC1CC(CCNC(=O)NC2(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694890	1	52	0.0	-81.23	404.84	9.42	-71.81
CC1CC(CCNC(=O)N2CCOCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694891	0	56	0.0	-81.60	412.42	9.30	-72.30
CC1CC(CCNC(=O)N2CCOCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694891	1	56	0.0	-80.59	419.01	9.66	-70.93
CC1CC(CCNC(=O)NC(C(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694892	0	55	0.0	-76.03	424.68	9.63	-66.40
CC1CC(CCNC(=O)NC(C(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694892	1	55	0.0	-75.86	426.09	9.60	-66.26
COCCN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694893	0	58	0.0	-64.60	448.50	10.11	-54.49
COCCN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694893	1	58	0.0	-63.65	447.60	10.47	-53.18
CC1CC(CCNC(=O)N2CCC[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694894	0	55	0.0	-81.79	419.15	10.63	-71.16
CC1CC(CCNC(=O)N2CCC[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694894	1	55	0.0	-81.74	412.48	10.41	-71.33
CC1CC(CCNC(=O)N2CCCC[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694895	0	58	0.0	-83.60	427.82	12.09	-71.51
CC1CC(CCNC(=O)N2CCCC[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694895	1	58	0.0	-84.48	422.34	11.78	-72.70
C[C@H](C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694896	0	54	0.0	-70.80	409.71	10.07	-60.73
C[C@H](C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694896	1	54	0.0	-70.35	408.81	10.09	-60.26
CC1CC(CCNC(=O)N2CCC[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694897	0	55	0.0	-81.12	411.60	10.73	-70.39
CC1CC(CCNC(=O)N2CCC[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694897	1	55	0.0	-80.43	416.72	11.03	-69.40
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694898	0	55	0.0	-80.87	414.10	9.54	-71.33
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694898	1	55	0.0	-80.04	420.32	9.84	-70.20
C=CCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694899	0	55	0.0	-74.04	425.38	9.26	-64.78
C=CCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694899	1	55	0.0	-76.03	432.50	9.57	-66.46
CC1CC(CCNC(=O)N2CCCC2(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694900	0	58	0.0	-80.50	434.11	11.60	-68.90
CC1CC(CCNC(=O)N2CCCC2(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694900	1	58	0.0	-81.15	435.04	11.59	-69.56
CC1CC(CCNC(=O)N2CCCCCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694901	0	61	0.0	-83.25	437.52	12.69	-70.56
CC1CC(CCNC(=O)N2CCCCCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694901	1	61	0.0	-85.50	442.11	12.67	-72.83
CC1CC(CCNC(=O)NC(C(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694902	0	55	0.0	-76.03	424.68	9.63	-66.40
CC1CC(CCNC(=O)NC(C(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694902	1	55	0.0	-75.86	426.09	9.60	-66.26
CC(C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694903	0	54	0.0	-70.78	409.71	10.08	-60.70
CC(C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694903	1	54	0.0	-71.60	403.42	9.76	-61.84
CCCCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694904	0	60	0.0	-76.36	462.19	10.67	-65.69
CCCCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694904	1	60	0.0	-74.41	455.06	10.37	-64.04
CC1CC(CCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694905	0	58	0.0	-82.25	427.43	11.23	-71.02
CC1CC(CCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694905	1	58	0.0	-82.91	436.86	11.67	-71.24
CC1CC(CCNC(=O)N(CC(=O)[O-])C2CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694906	0	61	0.0	-62.64	452.56	12.51	-50.13
CC1CC(CCNC(=O)N(CC(=O)[O-])C2CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694906	1	61	0.0	-63.30	453.46	12.50	-50.80
COCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694907	0	55	0.0	-77.65	430.56	7.34	-70.31
COCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694907	1	55	0.0	-76.83	430.15	7.37	-69.46
CCCCCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694908	0	63	0.0	-75.89	483.45	11.51	-64.38
CCCCCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694908	1	63	0.0	-75.00	477.39	11.13	-63.87
CC1CC(CCNC(=O)N(C)C2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694909	0	61	0.0	-82.09	441.13	11.97	-70.12
CC1CC(CCNC(=O)N(C)C2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694909	1	61	0.0	-82.13	446.53	12.21	-69.92
CC(C(=O)[O-])N(C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012694910	0	58	0.0	-64.19	434.54	11.52	-52.67
CC(C(=O)[O-])N(C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012694910	1	58	0.0	-62.47	429.31	11.40	-51.07
CCC(C(=O)[O-])N(C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012694911	0	61	0.0	-64.37	455.22	12.72	-51.65
CCC(C(=O)[O-])N(C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012694911	1	61	0.0	-62.76	449.60	12.46	-50.30
COCC(C)(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694912	0	58	0.0	-80.76	441.57	8.78	-71.98
COCC(C)(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694912	1	58	0.0	-78.70	440.67	8.79	-69.91
CCOCC(C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694913	0	61	0.0	-73.96	460.77	10.49	-63.47
CCOCC(C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694913	1	61	0.0	-72.60	460.67	10.44	-62.16
CC(C)CN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694914	0	60	0.0	-63.95	453.28	12.20	-51.75
CC(C)CN(CC(=O)[O-])C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694914	1	60	0.0	-61.87	452.13	12.00	-49.87
CC1CC(CCNC(=O)N(CC(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694915	0	55	0.0	-75.35	417.00	11.06	-64.29
CC1CC(CCNC(=O)N(CC(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694915	1	55	0.0	-75.39	421.13	11.33	-64.06
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCOC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694916	0	56	0.0	-74.86	417.23	7.33	-67.53
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCOC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694916	1	56	0.0	-74.90	418.53	7.36	-67.54
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694917	0	59	0.0	-79.01	433.91	8.53	-70.48
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694917	1	59	0.0	-78.16	441.46	8.94	-69.22
C=CCCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694918	0	58	0.0	-74.75	447.21	10.13	-64.62
C=CCCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694918	1	58	0.0	-75.45	452.67	10.47	-64.98
CC1CC(CCNC(=O)NC(CF)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694919	0	51	0.0	-64.06	400.39	8.10	-55.96
CC1CC(CCNC(=O)NC(CF)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694919	1	51	0.0	-64.28	400.98	8.11	-56.17
CC(C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694920	0	54	0.0	-70.78	409.71	10.08	-60.70
CC(C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694920	1	54	0.0	-71.60	403.42	9.76	-61.84
CCC(CC)(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694921	0	60	0.0	-77.73	440.00	10.38	-67.35
CCC(CC)(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694921	1	60	0.0	-75.58	438.82	10.39	-65.19
CCC(C)N(CC(=O)[O-])C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694922	0	60	0.0	-63.32	447.84	12.26	-51.06
CCC(C)N(CC(=O)[O-])C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694922	1	60	0.0	-62.45	442.82	12.04	-50.41
CCC(COC)(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694923	0	61	0.0	-80.65	458.01	9.69	-70.96
CCC(COC)(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694923	1	61	0.0	-79.94	457.11	9.70	-70.24
CC1CC(CCNC(=O)NC(CC2CC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694924	0	58	0.0	-74.34	443.68	10.37	-63.97
CC1CC(CCNC(=O)NC(CC2CC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694924	1	58	0.0	-76.40	450.80	10.67	-65.73
COCCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694925	0	58	0.0	-76.04	452.03	8.20	-67.84
COCCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694925	1	58	0.0	-74.59	445.74	7.88	-66.71
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694926	0	63	0.0	-74.50	468.42	12.55	-61.95
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694926	1	63	0.0	-72.88	468.48	12.60	-60.28
CC1CC(CCNC(=O)NC(CC(F)F)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694927	0	54	0.0	-70.01	422.69	9.34	-60.67
CC1CC(CCNC(=O)NC(CC(F)F)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694927	1	54	0.0	-71.87	429.81	9.64	-62.23
CCCN(C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012694928	0	60	0.0	-71.53	448.28	11.65	-59.88
CCCN(C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012694928	1	60	0.0	-60.34	442.04	12.17	-48.17
CC1CC(CCNC(=O)NC(CCF)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694929	0	54	0.0	-73.58	419.49	8.94	-64.64
CC1CC(CCNC(=O)NC(CCF)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694929	1	54	0.0	-74.56	424.95	9.27	-65.29
CC1CC(CCNC(=O)NC(C)(CCF)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694930	0	57	0.0	-71.97	423.63	9.31	-62.66
CC1CC(CCNC(=O)NC(C)(CCF)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694930	1	57	0.0	-73.39	429.92	9.63	-63.76
CC1CC(CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694931	0	55	0.0	-75.14	426.56	10.62	-64.52
CC1CC(CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694931	1	55	0.0	-74.84	430.48	10.88	-63.96
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694932	0	54	0.0	-71.97	410.22	10.18	-61.79
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694932	1	54	0.0	-71.05	409.61	10.25	-60.80
CC1CC(CCNC(=O)N2CC3CC2(C(=O)[O-])C3)C[N@@H+]1CC1=CC=CC=C1	REAL300012694933	0	56	0.0	-87.12	418.99	11.37	-75.75
CC1CC(CCNC(=O)N2CC3CC2(C(=O)[O-])C3)C[N@H+]1CC1=CC=CC=C1	REAL300012694933	1	56	0.0	-87.52	425.22	11.67	-75.85
CC1CC(CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C[N@@H+]1CC1=CC=CC=C1	REAL300012694934	0	60	0.0	-77.50	442.41	9.90	-67.60
CC1CC(CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C[N@H+]1CC1=CC=CC=C1	REAL300012694934	1	60	0.0	-76.45	448.37	10.24	-66.21
C=C(Cl)CC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694935	0	55	0.0	-75.26	447.32	10.26	-65.00
C=C(Cl)CC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694935	1	55	0.0	-76.29	447.63	10.19	-66.10
C=C(C)CC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694936	0	58	0.0	-75.24	452.15	10.33	-64.91
C=C(C)CC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694936	1	58	0.0	-76.59	453.07	10.32	-66.27
CC1CC(CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)C[N@@H+]1CC1=CC=CC=C1	REAL300012694937	0	59	0.0	-88.30	439.44	12.50	-75.80
CC1CC(CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)C[N@H+]1CC1=CC=CC=C1	REAL300012694937	1	59	0.0	-87.57	437.91	12.47	-75.10
CC1CC(CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694938	0	55	0.0	-74.48	430.04	11.20	-63.28
CC1CC(CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694938	1	55	0.0	-75.79	425.48	10.61	-65.18
CC1CC(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694939	0	55	0.0	-78.54	424.29	11.12	-67.42
CC1CC(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694939	1	55	0.0	-79.80	418.03	10.83	-68.97
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012694940	0	56	0.0	-81.54	430.95	11.10	-70.44
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012694940	1	56	0.0	-80.80	424.04	10.77	-70.03
CC(C)C[C@H](NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694941	0	60	0.0	-76.24	457.06	10.43	-65.81
CC(C)C[C@H](NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694941	1	60	0.0	-76.62	450.27	10.12	-66.50
CC1CC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694942	0	58	0.0	-76.10	454.20	11.28	-64.82
CC1CC(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012694942	1	58	0.0	-76.92	455.37	11.20	-65.72
CC1CC(CCNC(=O)NC(CC2CC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694943	0	58	0.0	-74.34	443.68	10.37	-63.97
CC1CC(CCNC(=O)NC(CC2CC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694943	1	58	0.0	-76.40	450.80	10.67	-65.73
CSCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694944	0	55	0.0	-73.34	441.98	9.56	-63.78
CSCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694944	1	55	0.0	-72.95	441.76	9.55	-63.40
COC[C@H](NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694945	0	55	0.0	-77.83	430.91	7.40	-70.43
COC[C@H](NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694945	1	55	0.0	-77.39	422.99	7.01	-70.38
CC[C@H](NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694946	0	54	0.0	-76.17	418.95	9.18	-66.99
CC[C@H](NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694946	1	54	0.0	-74.67	417.46	9.14	-65.53
CCC(C)CC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694947	0	63	0.0	-77.21	476.12	11.11	-66.10
CCC(C)CC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694947	1	63	0.0	-75.13	474.98	11.15	-63.98
C=CCCCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694948	0	61	0.0	-74.67	468.71	10.91	-63.76
C=CCCCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694948	1	61	0.0	-75.38	474.17	11.25	-64.13
CC1CC(CCNC(=O)N2CCSCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694949	0	56	0.0	-82.83	421.89	11.90	-70.93
CC1CC(CCNC(=O)N2CCSCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694949	1	56	0.0	-82.07	428.52	12.26	-69.81
CC1CC(CCNC(=O)N2CCC[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694950	0	55	0.0	-81.79	419.15	10.63	-71.16
CC1CC(CCNC(=O)N2CCC[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694950	1	55	0.0	-81.74	412.48	10.41	-71.33
CCCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694951	0	57	0.0	-76.45	440.69	9.89	-66.56
CCCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694951	1	57	0.0	-74.47	433.57	9.58	-64.89
CC(C)[C@@H](NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694952	0	57	0.0	-75.61	436.23	9.69	-65.92
CC(C)[C@@H](NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694952	1	57	0.0	-73.99	433.41	9.74	-64.25
CC1CC(CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694953	0	59	0.0	-87.13	438.71	12.59	-74.54
CC1CC(CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694953	1	59	0.0	-86.86	438.58	12.61	-74.25
CCN(C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012694954	0	60	0.0	-78.36	443.91	11.90	-66.46
CCN(C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012694954	1	60	0.0	-78.26	442.92	11.88	-66.38
CCCN(C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012694955	0	60	0.0	-71.53	448.28	11.65	-59.88
CCCN(C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012694955	1	60	0.0	-60.34	442.04	12.17	-48.17
CC1CC(CCNC(=O)N(C)C(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694956	0	57	0.0	-78.47	423.40	11.06	-67.41
CC1CC(CCNC(=O)N(C)C(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694956	1	57	0.0	-78.40	424.33	11.02	-67.38
CC1CC(CCNC(=O)N2CCC[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694957	0	55	0.0	-81.12	411.60	10.73	-70.39
CC1CC(CCNC(=O)N2CCC[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694957	1	55	0.0	-80.43	416.72	11.03	-69.40
CC1CC(CCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694958	0	56	0.0	-84.39	423.59	7.04	-77.35
CC1CC(CCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694958	1	56	0.0	-83.01	429.83	7.34	-75.67
CCC[C@@H](NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694959	0	57	0.0	-75.09	440.69	9.88	-65.21
CCC[C@@H](NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694959	1	57	0.0	-74.66	439.79	9.90	-64.76
CC1CC(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694960	0	58	0.0	-76.94	447.79	10.86	-66.08
CC1CC(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012694960	1	58	0.0	-76.51	455.13	11.27	-65.24
C=CCCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694961	0	58	0.0	-74.75	447.21	10.13	-64.62
C=CCCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694961	1	58	0.0	-75.45	452.67	10.47	-64.98
CC1CC(CCNC(=O)N2CCC[C@]2(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694962	0	58	0.0	-82.18	428.60	11.29	-70.89
CC1CC(CCNC(=O)N2CCC[C@]2(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694962	1	58	0.0	-81.24	436.75	11.69	-69.55
CC(C)[C@H](NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694963	0	57	0.0	-75.87	434.31	9.73	-66.14
CC(C)[C@H](NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694963	1	57	0.0	-75.69	435.33	9.70	-65.99
CC1CC(CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694964	0	58	0.0	-77.92	447.75	10.85	-67.07
CC1CC(CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300012694964	1	58	0.0	-78.11	455.32	11.19	-66.92
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694965	0	54	0.0	-71.97	410.22	10.18	-61.79
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694965	1	54	0.0	-71.05	409.61	10.25	-60.80
CCC[C@H](NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694966	0	57	0.0	-75.86	439.86	9.89	-65.97
CCC[C@H](NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694966	1	57	0.0	-74.85	439.55	9.96	-64.89
CCN(C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012694967	0	57	0.0	-71.13	426.39	10.85	-60.28
CCN(C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012694967	1	57	0.0	-71.19	418.78	10.51	-60.68
CC1CC(CCNC(=O)N(CC(=O)[O-])C2CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694968	0	61	0.0	-62.64	452.56	12.51	-50.13
CC1CC(CCNC(=O)N(CC(=O)[O-])C2CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694968	1	61	0.0	-63.30	453.46	12.50	-50.80
CC(CN(C)C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694969	0	57	0.0	-75.18	430.15	10.61	-64.57
CC(CN(C)C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694969	1	57	0.0	-79.17	425.18	10.57	-68.60
CC[C@H](C)[C@H](NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694970	0	60	0.0	-77.48	450.44	10.08	-67.40
CC[C@H](C)[C@H](NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694970	1	60	0.0	-75.63	448.81	10.13	-65.50
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694971	0	57	0.0	-72.36	430.16	11.15	-61.21
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694971	1	57	0.0	-73.11	422.04	10.78	-62.33
CC1CC(CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694972	0	59	0.0	-86.53	445.61	6.75	-79.78
CC1CC(CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)C[N@H+]1CC1=CC=CC=C1	REAL300012694972	1	59	0.0	-85.04	452.20	7.12	-77.92
CC1CCC(NC(=O)NCCC2CC(C)[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012694973	0	61	0.0	-80.61	455.36	10.81	-69.80
CC1CCC(NC(=O)NCCC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012694973	1	61	0.0	-80.25	447.79	10.48	-69.77
COCCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694974	0	58	0.0	-76.04	452.03	8.20	-67.84
COCCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694974	1	58	0.0	-74.59	445.74	7.88	-66.71
CC1CC(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694975	0	61	0.0	-81.46	450.18	11.23	-70.23
CC1CC(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C[N@H+]1CC1=CC=CC=C1	REAL300012694975	1	61	0.0	-81.99	456.87	11.52	-70.47
CC1CC(CCNC(=O)NC(C(=O)[O-])C2(C)CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694976	0	58	0.0	-77.10	441.90	10.49	-66.61
CC1CC(CCNC(=O)NC(C(=O)[O-])C2(C)CC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694976	1	58	0.0	-78.27	443.76	10.10	-68.17
CC1CC(CCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694977	0	56	0.0	-89.51	429.55	7.48	-82.03
CC1CC(CCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694977	1	56	0.0	-88.09	428.78	7.51	-80.58
CC1CC(CCNC(=O)NC(C(=O)[O-])C2CCOC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694978	0	59	0.0	-75.02	444.85	8.08	-66.94
CC1CC(CCNC(=O)NC(C(=O)[O-])C2CCOC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694978	1	59	0.0	-74.09	451.07	8.38	-65.71
CC1CC(CCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694979	0	59	0.0	-85.73	432.04	11.84	-73.89
CC1CC(CCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694979	1	59	0.0	-84.58	439.43	12.19	-72.39
CC1CC(CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)C[N@@H+]1CC1=CC=CC=C1	REAL300012694980	0	57	0.0	-82.82	424.98	9.51	-73.31
CC1CC(CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)C[N@H+]1CC1=CC=CC=C1	REAL300012694980	1	57	0.0	-82.71	432.25	9.91	-72.80
CC1CC(CCNC(=O)N2CC(C)CCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694981	0	61	0.0	-85.09	444.00	12.59	-72.50
CC1CC(CCNC(=O)N2CC(C)CCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694981	1	61	0.0	-84.10	449.66	12.62	-71.48
CC1CC(CCNC(=O)NC(C(=O)[O-])C2CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694982	0	58	0.0	-76.65	432.64	9.76	-66.89
CC1CC(CCNC(=O)NC(C(=O)[O-])C2CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694982	1	58	0.0	-76.52	443.25	10.11	-66.41
CC1CC(CCNC(=O)NC(C(=O)[O-])C2CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694983	0	58	0.0	-76.65	432.64	9.76	-66.89
CC1CC(CCNC(=O)NC(C(=O)[O-])C2CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694983	1	58	0.0	-76.52	443.25	10.11	-66.41
CC1CCN(C(=O)NCCC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300012694984	0	58	0.0	-82.72	439.26	11.30	-71.42
CC1CCN(C(=O)NCCC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300012694984	1	58	0.0	-82.42	428.26	11.13	-71.29
C=CCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694985	0	55	0.0	-74.04	425.38	9.26	-64.78
C=CCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694985	1	55	0.0	-76.03	432.50	9.57	-66.46
CC1CC(CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694986	0	59	0.0	-62.36	434.28	11.75	-50.61
CC1CC(CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694986	1	59	0.0	-60.84	434.31	11.76	-49.08
COC1CC(NC(=O)NCCC2CC(C)[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012694987	0	59	0.0	-82.38	455.11	8.89	-73.49
COC1CC(NC(=O)NCCC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012694987	1	59	0.0	-82.92	447.56	8.50	-74.42
CC1CC(CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694988	0	55	0.0	-77.25	427.84	9.87	-67.38
CC1CC(CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C[N@H+]1CC1=CC=CC=C1	REAL300012694988	1	55	0.0	-78.05	428.74	9.86	-68.19
CO[C@H]1C[C@](NC(=O)NCCC2CC(C)[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012694989	0	59	0.0	-78.78	446.02	8.79	-69.99
CO[C@H]1C[C@](NC(=O)NCCC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012694989	1	59	0.0	-77.92	445.98	8.78	-69.14
CCC1(C(=O)[O-])CCCN1C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694990	0	61	0.0	-83.65	450.78	12.75	-70.90
CCC1(C(=O)[O-])CCCN1C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694990	1	61	0.0	-84.68	445.08	12.55	-72.13
CC1CC(CCNC(=O)NC2(C(=O)[O-])COC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012694991	0	53	0.0	-73.88	403.70	6.54	-67.34
CC1CC(CCNC(=O)NC2(C(=O)[O-])COC2)C[N@H+]1CC1=CC=CC=C1	REAL300012694991	1	53	0.0	-73.60	410.21	6.88	-66.72
CC(C)C(C)(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694992	0	60	0.0	-77.54	440.06	10.18	-67.36
CC(C)C(C)(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694992	1	60	0.0	-75.75	437.35	10.13	-65.62
CC1CC(CCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694993	0	56	0.0	-85.22	417.43	11.87	-73.35
CC1CC(CCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694993	1	56	0.0	-85.72	418.60	11.90	-73.82
CC1CC(CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694994	0	59	0.0	-84.50	434.58	11.31	-73.19
CC1CC(CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694994	1	59	0.0	-83.11	439.94	11.79	-71.32
CCC(C(=O)[O-])N(CC)C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012694995	0	60	0.0	-73.06	443.39	11.82	-61.24
CCC(C(=O)[O-])N(CC)C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012694995	1	60	0.0	-74.07	436.61	11.65	-62.42
CC1CC(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694996	0	55	0.0	-78.54	424.29	11.12	-67.42
CC1CC(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694996	1	55	0.0	-79.80	418.03	10.83	-68.97
CC1CC(CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694997	0	57	0.0	-62.65	429.15	11.53	-51.12
CC1CC(CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694997	1	57	0.0	-61.99	427.94	11.49	-50.50
CC1CC(CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012694998	0	61	0.0	-84.24	445.94	11.51	-72.73
CC1CC(CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012694998	1	61	0.0	-83.32	452.16	11.81	-71.51
CC(C)CCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694999	0	63	0.0	-75.90	478.92	11.20	-64.70
CC(C)CCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012694999	1	63	0.0	-75.20	473.47	10.87	-64.33
CC1CC(CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012695000	0	62	0.0	-61.60	458.67	12.20	-49.40
CC1CC(CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012695000	1	62	0.0	-59.46	464.89	12.50	-46.96
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)C[N@@H+]1CC1=CC=CC=C1	REAL300012695001	0	62	0.0	-82.34	446.92	11.64	-70.70
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)C[N@H+]1CC1=CC=CC=C1	REAL300012695001	1	62	0.0	-82.67	454.54	11.98	-70.69
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCC3CC32)C[N@@H+]1CC1=CC=CC=C1	REAL300012695002	0	59	0.0	-80.82	435.28	10.77	-70.05
CC1CC(CCNC(=O)NC2(C(=O)[O-])CCC3CC32)C[N@H+]1CC1=CC=CC=C1	REAL300012695002	1	59	0.0	-79.28	442.98	10.85	-68.43
CC1CC(CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300012695003	0	62	0.0	-78.57	454.97	11.14	-67.43
CC1CC(CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C[N@H+]1CC1=CC=CC=C1	REAL300012695003	1	62	0.0	-79.10	461.76	11.47	-67.63
CC1CC(CCNC(=O)NC(C(=O)[O-])C2CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300012695004	0	61	0.0	-74.97	452.18	10.45	-64.52
CC1CC(CCNC(=O)NC(C(=O)[O-])C2CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300012695004	1	61	0.0	-75.85	455.42	10.70	-65.15
CO[C@H](C)[C@H](NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012695005	0	58	0.0	-77.87	449.19	8.36	-69.51
CO[C@H](C)[C@H](NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012695005	1	58	0.0	-76.67	448.29	8.37	-68.30
CC1[C@@H](C)[C@@]1(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012695006	0	58	0.0	-81.82	438.33	10.67	-71.15
CC1[C@@H](C)[C@@]1(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012695006	1	58	0.0	-78.47	432.14	10.37	-68.10
CC1CC(CCNC(=O)N2CC(C)(C)CC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012695007	0	61	0.0	-61.68	451.56	11.51	-50.17
CC1CC(CCNC(=O)N2CC(C)(C)CC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012695007	1	61	0.0	-62.05	458.60	11.77	-50.28
CC1CC(CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012695008	0	55	0.0	-81.13	421.59	10.93	-70.20
CC1CC(CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012695008	1	55	0.0	-85.83	429.62	11.17	-74.66
CC1CC(CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012695009	0	62	0.0	-85.94	457.85	12.48	-73.46
CC1CC(CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012695009	1	62	0.0	-83.77	450.69	11.90	-71.87
COCCCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012695010	0	61	0.0	-75.91	474.36	8.96	-66.95
COCCCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012695010	1	61	0.0	-74.71	468.07	8.64	-66.07
CCCC(C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012695011	0	60	0.0	-73.12	451.07	12.05	-61.07
CCCC(C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012695011	1	60	0.0	-71.50	450.75	11.93	-59.57
CCOCC(NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012695012	0	58	0.0	-78.01	452.42	8.32	-69.69
CCOCC(NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012695012	1	58	0.0	-77.19	452.00	8.35	-68.84
CC1CC(CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012695013	0	63	0.0	-75.70	463.75	11.19	-64.51
CC1CC(CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012695013	1	63	0.0	-75.59	470.03	11.51	-64.08
CC1CC(CCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012695014	0	59	0.0	-84.32	442.10	10.69	-73.63
CC1CC(CCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012695014	1	59	0.0	-82.49	439.99	10.34	-72.15
CC1CC(CCNC(=O)NC(CCC#N)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300012695015	0	55	0.0	-75.42	432.92	9.32	-66.10
CC1CC(CCNC(=O)NC(CCC#N)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300012695015	1	55	0.0	-76.85	439.21	9.63	-67.22
CC1CC(CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C[N@@H+]1CC1=CC=CC=C1	REAL300012695016	0	58	0.0	-64.50	456.88	12.08	-52.42
CC1CC(CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C[N@H+]1CC1=CC=CC=C1	REAL300012695016	1	58	0.0	-62.48	457.78	12.06	-50.42
C[C@H](C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300012695017	0	54	0.0	-70.80	409.71	10.07	-60.73
C[C@H](C(=O)[O-])N(C)C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012695017	1	54	0.0	-70.35	408.81	10.09	-60.26
CCC1=CN=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012695144	0	55	0.0	-63.42	422.56	7.06	-56.36
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3(C2)CC(F)(F)C3)CC1	REAL300012695529	0	54	0.0	-62.36	420.28	7.86	-54.50
CC(C)C[C@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696375	0	60	0.0	-74.94	442.73	10.56	-64.38
CC(C)C[C@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696375	1	60	0.0	-74.85	441.61	10.77	-64.08
C=CCOCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696376	0	59	0.0	-76.17	450.64	9.04	-67.13
C=CCOCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696376	1	59	0.0	-78.32	451.27	9.12	-69.20
C=CC(C)C(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696377	0	58	0.0	-72.33	435.56	10.39	-61.94
C=CC(C)C(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696377	1	58	0.0	-74.96	429.31	10.29	-64.67
CC1CCN(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012696378	0	61	0.0	-81.98	427.39	12.67	-69.31
CC1CCN(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012696378	1	61	0.0	-83.51	427.95	12.94	-70.57
CCCN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696379	0	57	0.0	-64.08	423.45	11.80	-52.28
CCCN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696379	1	57	0.0	-64.67	423.16	11.97	-52.70
CC(C(=O)[O-])N(C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012696380	0	61	0.0	-61.98	436.63	12.23	-49.75
CC(C(=O)[O-])N(C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012696380	1	61	0.0	-55.22	428.69	13.19	-42.03
CCCN(C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012696381	0	63	0.0	-74.79	451.74	13.57	-61.22
CCCN(C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012696381	1	63	0.0	-73.47	450.49	12.71	-60.76
CC(C)C(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696382	0	57	0.0	-73.22	418.21	9.79	-63.43
CC(C)C(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696382	1	57	0.0	-73.78	417.91	9.95	-63.83
O=C([O-])C1CCCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696383	0	58	0.0	-82.98	413.75	12.57	-70.41
O=C([O-])C1CCCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696383	1	58	0.0	-81.40	413.29	12.30	-69.10
O=C([O-])C1CSCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696384	0	56	0.0	-79.69	413.20	12.31	-67.38
O=C([O-])C1CSCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696384	1	56	0.0	-80.43	413.88	12.50	-67.93
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCCCC1	REAL300012696385	0	61	0.0	-75.96	433.54	11.45	-64.51
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCCCC1	REAL300012696385	1	61	0.0	-79.23	434.31	11.50	-67.73
O=C([O-])C1CCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696386	0	55	0.0	-78.89	403.54	10.84	-68.05
O=C([O-])C1CCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696386	1	55	0.0	-79.49	402.48	11.20	-68.29
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300012696387	0	58	0.0	-76.24	419.00	10.39	-65.85
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300012696387	1	58	0.0	-76.60	419.87	10.43	-66.17
O=C([O-])CNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696388	0	48	0.0	-65.81	361.66	7.52	-58.29
O=C([O-])CNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696388	1	48	0.0	-65.87	361.12	7.56	-58.31
O=C([O-])[C@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012696389	0	58	0.0	-74.73	440.20	11.31	-63.42
O=C([O-])[C@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012696389	1	58	0.0	-74.97	439.67	11.56	-63.41
O=C([O-])C(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012696390	0	58	0.0	-76.77	440.45	11.44	-65.33
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012696390	1	58	0.0	-74.44	440.32	11.38	-63.06
CCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696391	0	54	0.0	-72.64	403.79	9.31	-63.33
CCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696391	1	54	0.0	-76.04	404.79	9.28	-66.76
CC(C)C(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696392	0	57	0.0	-73.22	418.21	9.79	-63.43
CC(C)C(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696392	1	57	0.0	-73.78	417.91	9.95	-63.83
CN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696393	0	51	0.0	-74.56	380.19	10.21	-64.35
CN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696393	1	51	0.0	-73.19	379.86	10.23	-62.96
CC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696394	0	51	0.0	-66.02	382.03	8.25	-57.77
CC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696394	1	51	0.0	-67.01	382.96	8.26	-58.75
CCC(C)C(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696395	0	60	0.0	-74.06	434.68	10.23	-63.83
CCC(C)C(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696395	1	60	0.0	-76.29	438.72	10.62	-65.67
CN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696396	0	51	0.0	-74.56	380.19	10.21	-64.35
CN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696396	1	51	0.0	-73.19	379.86	10.23	-62.96
O=C([O-])C1CCCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696397	0	58	0.0	-82.98	413.75	12.57	-70.41
O=C([O-])C1CCCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696397	1	58	0.0	-81.40	413.29	12.30	-69.10
CCCC(C)(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696398	0	60	0.0	-72.41	429.66	10.38	-62.03
CCCC(C)(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696398	1	60	0.0	-72.73	430.42	10.40	-62.33
CC(C)N(CC(=O)[O-])C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696399	0	57	0.0	-64.83	412.09	11.33	-53.50
CC(C)N(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696399	1	57	0.0	-64.65	413.57	11.62	-53.03
O=C([O-])CN(C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012696400	0	55	0.0	-73.22	406.90	11.45	-61.77
O=C([O-])CN(C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012696400	1	55	0.0	-65.74	404.93	11.73	-54.01
C=CCN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696401	0	55	0.0	-61.20	409.84	11.53	-49.67
C=CCN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696401	1	55	0.0	-64.58	412.30	11.48	-53.10
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696402	0	60	0.0	-64.73	438.16	12.47	-52.26
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696402	1	60	0.0	-63.32	432.24	11.90	-51.42
CC(C)(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696403	0	54	0.0	-65.06	395.02	8.75	-56.31
CC(C)(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696403	1	54	0.0	-65.26	395.53	8.66	-56.60
CC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1CC1	REAL300012696404	0	58	0.0	-73.95	417.68	10.37	-63.58
CC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1CC1	REAL300012696404	1	58	0.0	-76.31	418.37	10.41	-65.90
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCCCC1	REAL300012696405	0	61	0.0	-75.96	433.54	11.45	-64.51
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCCCC1	REAL300012696405	1	61	0.0	-79.23	434.31	11.50	-67.73
CC(C)N(CC(=O)[O-])C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696406	0	57	0.0	-64.83	412.09	11.33	-53.50
CC(C)N(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696406	1	57	0.0	-64.65	413.57	11.62	-53.03
CCCN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696407	0	57	0.0	-64.08	423.45	11.80	-52.28
CCCN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696407	1	57	0.0	-64.67	423.16	11.97	-52.70
CCN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696408	0	54	0.0	-72.62	401.96	11.04	-61.58
CCN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696408	1	54	0.0	-72.92	402.72	11.09	-61.83
CC[C@H](C)[C@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696409	0	60	0.0	-75.52	435.27	10.21	-65.31
CC[C@H](C)[C@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696409	1	60	0.0	-73.57	435.33	10.28	-63.29
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300012696410	0	58	0.0	-76.24	419.00	10.39	-65.85
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300012696410	1	58	0.0	-76.60	419.87	10.43	-66.17
CCC(C)(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696411	0	57	0.0	-72.09	408.16	9.62	-62.47
CCC(C)(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696411	1	57	0.0	-72.88	407.87	9.78	-63.10
C[C@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696412	0	51	0.0	-66.12	382.20	8.23	-57.89
C[C@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696412	1	51	0.0	-66.60	381.91	8.39	-58.21
CCN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696413	0	54	0.0	-72.62	401.96	11.04	-61.58
CCN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696413	1	54	0.0	-72.92	402.72	11.09	-61.83
C[C@@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696414	0	51	0.0	-65.61	382.20	8.23	-57.38
C[C@@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696414	1	51	0.0	-66.57	382.22	8.35	-58.22
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300012696415	0	52	0.0	-77.75	388.34	9.44	-68.31
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300012696415	1	52	0.0	-78.49	388.07	9.61	-68.88
O=C([O-])C1COCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696416	0	56	0.0	-78.96	404.42	9.94	-69.02
O=C([O-])C1COCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696416	1	56	0.0	-79.15	404.41	9.91	-69.24
O=C([O-])C(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012696417	0	55	0.0	-73.82	410.95	9.73	-64.09
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012696417	1	55	0.0	-73.90	409.32	9.76	-64.14
COCCN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696418	0	58	0.0	-64.88	433.33	10.23	-54.65
COCCN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696418	1	58	0.0	-65.16	425.91	11.02	-54.14
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696419	0	55	0.0	-78.93	403.54	10.85	-68.08
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696419	1	55	0.0	-79.61	403.44	10.97	-68.64
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696420	0	58	0.0	-80.63	413.69	12.18	-68.45
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696420	1	58	0.0	-81.63	413.38	12.32	-69.31
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696421	0	54	0.0	-70.02	395.30	10.19	-59.83
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696421	1	54	0.0	-72.03	394.74	10.36	-61.67
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696422	0	55	0.0	-79.99	402.82	11.15	-68.84
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696422	1	55	0.0	-80.75	402.70	11.28	-69.47
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCC1	REAL300012696423	0	55	0.0	-77.02	404.90	9.96	-67.06
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCC1	REAL300012696423	1	55	0.0	-79.45	404.87	10.01	-69.44
C=CCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696424	0	55	0.0	-74.10	417.34	9.70	-64.40
C=CCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696424	1	55	0.0	-74.78	417.05	9.86	-64.92
CC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696425	0	58	0.0	-80.63	419.91	11.85	-68.78
CC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696425	1	58	0.0	-81.53	420.62	11.74	-69.79
O=C([O-])C1CCCCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696426	0	61	0.0	-81.51	426.58	12.95	-68.56
O=C([O-])C1CCCCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696426	1	61	0.0	-80.10	426.58	12.84	-67.26
O=C([O-])C(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012696427	0	55	0.0	-73.82	410.95	9.73	-64.09
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012696427	1	55	0.0	-73.90	409.32	9.76	-64.14
CC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696428	0	54	0.0	-71.38	393.98	10.24	-61.14
CC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696428	1	54	0.0	-70.35	394.25	10.36	-59.99
CCCCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696429	0	60	0.0	-73.06	447.02	10.79	-62.27
CCCCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696429	1	60	0.0	-72.61	446.96	10.85	-61.76
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696430	0	58	0.0	-78.90	420.23	11.82	-67.08
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696430	1	58	0.0	-78.50	420.38	11.71	-66.79
O=C([O-])CN(C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300012696431	0	61	0.0	-64.36	439.30	12.85	-51.51
O=C([O-])CN(C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300012696431	1	61	0.0	-60.12	439.04	12.66	-47.46
COCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696432	0	55	0.0	-76.22	415.89	7.49	-68.73
COCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696432	1	55	0.0	-76.32	415.11	7.64	-68.68
CCCCCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696433	0	63	0.0	-73.84	467.69	11.58	-62.26
CCCCCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696433	1	63	0.0	-75.54	469.04	11.67	-63.87
CN(C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1(C(=O)[O-])CCCC1	REAL300012696434	0	61	0.0	-80.33	429.51	12.04	-68.29
CN(C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1(C(=O)[O-])CCCC1	REAL300012696434	1	61	0.0	-78.81	430.35	12.11	-66.70
CC(C(=O)[O-])N(C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012696435	0	58	0.0	-71.69	412.58	11.47	-60.22
CC(C(=O)[O-])N(C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012696435	1	58	0.0	-70.55	412.65	11.48	-59.07
CCC(C(=O)[O-])N(C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012696436	0	61	0.0	-72.43	431.16	12.46	-59.97
CCC(C(=O)[O-])N(C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012696436	1	61	0.0	-71.34	431.44	12.41	-58.93
COCC(C)(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696437	0	58	0.0	-76.53	426.41	8.91	-67.62
COCC(C)(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696437	1	58	0.0	-76.85	427.18	8.93	-67.92
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696438	0	61	0.0	-71.86	446.67	10.44	-61.42
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696438	1	61	0.0	-73.98	447.28	10.71	-63.27
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696439	0	60	0.0	-64.73	438.16	12.47	-52.26
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696439	1	60	0.0	-63.32	432.24	11.90	-51.42
O=C([O-])CN(C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012696440	0	55	0.0	-73.22	406.90	11.45	-61.77
O=C([O-])CN(C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012696440	1	55	0.0	-65.74	404.93	11.73	-54.01
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300012696441	0	56	0.0	-73.28	409.73	7.71	-65.57
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300012696441	1	56	0.0	-73.16	409.43	7.76	-65.40
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300012696442	0	59	0.0	-75.29	424.96	8.97	-66.32
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300012696442	1	59	0.0	-76.08	424.66	9.14	-66.94
C=CCCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696443	0	58	0.0	-73.60	437.50	10.58	-63.02
C=CCCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696443	1	58	0.0	-73.10	439.10	10.60	-62.50
O=C([O-])C(CF)NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696444	0	51	0.0	-63.29	385.65	8.26	-55.03
O=C([O-])C(CF)NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696444	1	51	0.0	-63.81	385.36	8.43	-55.38
CC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696445	0	54	0.0	-71.38	393.98	10.24	-61.14
CC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696445	1	54	0.0	-70.35	394.25	10.36	-59.99
CCC(CC)(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696446	0	60	0.0	-75.64	424.80	10.64	-65.00
CCC(CC)(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696446	1	60	0.0	-73.99	424.26	10.68	-63.31
CCC(C)N(CC(=O)[O-])C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696447	0	60	0.0	-61.04	432.93	12.51	-48.53
CCC(C)N(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696447	1	60	0.0	-60.28	433.44	12.42	-47.86
CCC(COC)(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696448	0	61	0.0	-77.71	442.85	9.82	-67.89
CCC(COC)(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696448	1	61	0.0	-80.97	443.62	9.85	-71.12
O=C([O-])C(CC1CC1)NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696449	0	58	0.0	-74.98	436.15	10.87	-64.11
O=C([O-])C(CC1CC1)NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696449	1	58	0.0	-73.33	436.40	10.83	-62.50
COCCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696450	0	58	0.0	-74.27	436.87	8.32	-65.95
COCCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696450	1	58	0.0	-73.59	438.46	8.34	-65.25
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696451	0	63	0.0	-73.17	452.36	12.72	-60.45
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696451	1	63	0.0	-74.38	454.12	12.84	-61.54
O=C([O-])C(CC(F)F)NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696452	0	54	0.0	-68.97	414.64	9.77	-59.20
O=C([O-])C(CC(F)F)NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696452	1	54	0.0	-69.31	415.41	9.79	-59.52
CCCN(C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012696453	0	60	0.0	-74.63	436.37	12.75	-61.88
CCCN(C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012696453	1	60	0.0	-74.19	437.00	12.57	-61.62
O=C([O-])C(CCF)NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696454	0	54	0.0	-72.87	409.78	9.41	-63.46
O=C([O-])C(CCF)NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696454	1	54	0.0	-72.23	411.38	9.42	-62.81
CC(CCF)(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696455	0	57	0.0	-69.27	414.76	9.76	-59.51
CC(CCF)(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696455	1	57	0.0	-72.32	415.52	9.79	-62.53
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696456	0	55	0.0	-72.79	416.55	11.02	-61.77
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696456	1	55	0.0	-75.40	417.13	11.01	-64.39
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696457	0	54	0.0	-72.66	394.23	10.12	-62.54
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696457	1	54	0.0	-71.83	393.83	10.46	-61.37
O=C([O-])C12CC(C1)CN2C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696458	0	56	0.0	-84.37	410.21	11.77	-72.60
O=C([O-])C12CC(C1)CN2C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696458	1	56	0.0	-85.02	411.40	11.82	-73.20
CC(C)(C)[C@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696459	0	60	0.0	-75.83	434.82	10.36	-65.47
CC(C)(C)[C@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696459	1	60	0.0	-74.52	435.58	10.39	-64.13
C=C(Cl)CC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696460	0	55	0.0	-69.72	432.50	10.36	-59.36
C=C(Cl)CC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696460	1	55	0.0	-75.59	433.00	10.47	-65.12
C=C(C)CC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696461	0	58	0.0	-74.67	437.61	10.44	-64.23
C=C(C)CC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696461	1	58	0.0	-76.58	435.54	10.74	-65.84
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696462	0	59	0.0	-84.15	422.87	12.62	-71.53
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696462	1	59	0.0	-87.45	425.39	12.63	-74.82
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696463	0	55	0.0	-74.94	416.07	11.19	-63.75
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696463	1	55	0.0	-74.27	415.91	11.45	-62.82
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696464	0	55	0.0	-77.95	409.28	11.24	-66.71
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696464	1	55	0.0	-77.17	409.00	11.29	-65.88
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012696465	0	56	0.0	-81.77	417.33	11.10	-70.67
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012696465	1	56	0.0	-79.15	417.76	11.25	-67.90
CC(C)C[C@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696466	0	60	0.0	-74.94	442.73	10.56	-64.38
CC(C)C[C@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696466	1	60	0.0	-74.85	441.61	10.77	-64.08
O=C([O-])C(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012696467	0	58	0.0	-76.77	440.45	11.44	-65.33
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012696467	1	58	0.0	-74.44	440.32	11.38	-63.06
O=C([O-])C(CC1CC1)NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696468	0	58	0.0	-74.98	436.15	10.87	-64.11
O=C([O-])C(CC1CC1)NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696468	1	58	0.0	-73.33	436.40	10.83	-62.50
CSCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696469	0	55	0.0	-71.28	426.82	9.69	-61.59
CSCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696469	1	55	0.0	-71.77	426.53	9.86	-61.91
COC[C@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696470	0	55	0.0	-76.22	415.89	7.49	-68.73
COC[C@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696470	1	55	0.0	-76.73	415.59	7.65	-69.08
CC[C@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696471	0	54	0.0	-73.89	403.19	9.26	-64.63
CC[C@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696471	1	54	0.0	-73.47	404.79	9.28	-64.19
CCC(C)CC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696472	0	63	0.0	-73.30	460.96	11.20	-62.10
CCC(C)CC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696472	1	63	0.0	-76.39	461.72	11.25	-65.14
C=CCCCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696473	0	61	0.0	-72.70	459.64	11.56	-61.14
C=CCCCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696473	1	61	0.0	-72.28	459.77	11.41	-60.87
O=C([O-])C1CSCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696474	0	56	0.0	-79.69	413.20	12.31	-67.38
O=C([O-])C1CSCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696474	1	56	0.0	-80.43	413.88	12.50	-67.93
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696475	0	55	0.0	-78.93	403.54	10.85	-68.08
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696475	1	55	0.0	-79.61	403.44	10.97	-68.64
CCCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696476	0	57	0.0	-73.90	424.69	10.02	-63.88
CCCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696476	1	57	0.0	-75.63	426.04	10.11	-65.52
CC(C)[C@@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696477	0	57	0.0	-73.82	421.32	9.70	-64.12
CC(C)[C@@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696477	1	57	0.0	-73.04	418.86	10.02	-63.02
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696478	0	59	0.0	-86.09	424.61	12.58	-73.51
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696478	1	59	0.0	-85.27	425.03	12.74	-72.53
CCN(C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012696479	0	60	0.0	-75.33	428.74	12.02	-63.31
CCN(C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012696479	1	60	0.0	-78.52	429.46	12.04	-66.48
CCCN(C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012696480	0	60	0.0	-74.63	436.37	12.75	-61.88
CCCN(C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012696480	1	60	0.0	-74.19	437.00	12.57	-61.62
CN(C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012696481	0	57	0.0	-75.45	409.26	11.11	-64.34
CN(C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012696481	1	57	0.0	-76.18	408.97	11.28	-64.90
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696482	0	55	0.0	-79.99	402.82	11.15	-68.84
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696482	1	55	0.0	-80.75	402.70	11.28	-69.47
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696483	0	56	0.0	-80.66	414.84	7.44	-73.22
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696483	1	56	0.0	-83.65	414.51	7.50	-76.15
CCC[C@@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696484	0	57	0.0	-73.46	425.79	9.89	-63.57
CCC[C@@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696484	1	57	0.0	-73.81	425.24	10.17	-63.64
O=C([O-])[C@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012696485	0	58	0.0	-74.73	440.20	11.31	-63.42
O=C([O-])[C@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012696485	1	58	0.0	-74.97	439.67	11.56	-63.41
C=CCCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696486	0	58	0.0	-73.60	437.50	10.58	-63.02
C=CCCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696486	1	58	0.0	-73.10	439.10	10.60	-62.50
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696487	0	58	0.0	-78.16	419.93	11.69	-66.47
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696487	1	58	0.0	-79.00	420.12	11.84	-67.16
CC(C)[C@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696488	0	57	0.0	-74.95	416.72	9.57	-65.38
CC(C)[C@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696488	1	57	0.0	-73.77	417.48	9.60	-64.17
O=C([O-])[C@@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012696489	0	58	0.0	-75.32	439.55	11.34	-63.98
O=C([O-])[C@@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300012696489	1	58	0.0	-76.59	439.87	11.49	-65.10
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696490	0	54	0.0	-72.66	394.23	10.12	-62.54
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696490	1	54	0.0	-71.83	393.83	10.46	-61.37
CCC[C@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696491	0	57	0.0	-73.91	424.69	10.02	-63.89
CCC[C@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696491	1	57	0.0	-74.43	424.40	10.19	-64.24
CCN(C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012696492	0	57	0.0	-71.45	413.11	11.30	-60.15
CCN(C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012696492	1	57	0.0	-72.71	412.49	11.12	-61.59
O=C([O-])CN(C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300012696493	0	61	0.0	-64.36	439.30	12.85	-51.51
O=C([O-])CN(C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300012696493	1	61	0.0	-60.12	439.04	12.66	-47.46
CC(CN(C)C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696494	0	57	0.0	-77.37	415.50	10.96	-66.41
CC(CN(C)C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696494	1	57	0.0	-78.23	416.02	11.16	-67.07
CC[C@H](C)[C@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696495	0	60	0.0	-75.52	435.27	10.21	-65.31
CC[C@H](C)[C@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696495	1	60	0.0	-73.57	435.33	10.28	-63.29
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696496	0	57	0.0	-70.75	415.55	11.52	-59.23
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696496	1	57	0.0	-71.93	414.14	11.28	-60.65
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC(CO)C1	REAL300012696497	0	59	0.0	-81.64	435.70	7.14	-74.50
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC(CO)C1	REAL300012696497	1	59	0.0	-82.24	436.29	7.18	-75.06
CC1CCC(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012696498	0	61	0.0	-78.22	438.88	11.13	-67.09
CC1CCC(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012696498	1	61	0.0	-79.01	439.78	11.03	-67.98
COCCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696499	0	58	0.0	-74.27	436.87	8.32	-65.95
COCCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696499	1	58	0.0	-73.59	438.46	8.34	-65.25
CC1(C)CC(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012696500	0	61	0.0	-77.51	441.60	11.66	-65.85
CC1(C)CC(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012696500	1	61	0.0	-78.32	440.95	11.81	-66.51
CC1(C(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300012696501	0	58	0.0	-75.06	429.63	10.41	-64.65
CC1(C(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300012696501	1	58	0.0	-75.80	428.39	10.64	-65.16
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696502	0	56	0.0	-85.34	414.84	7.63	-77.71
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696502	1	56	0.0	-85.23	413.21	7.79	-77.44
O=C([O-])C(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCOC1	REAL300012696503	0	59	0.0	-75.78	431.12	8.43	-67.35
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCOC1	REAL300012696503	1	59	0.0	-75.47	431.83	8.32	-67.15
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696504	0	59	0.0	-83.74	425.04	12.27	-71.47
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696504	1	59	0.0	-84.44	424.16	12.45	-71.99
O=C([O-])C12COC(CN1C(=O)NCC1CCCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300012696505	0	57	0.0	-80.12	417.39	9.96	-70.16
O=C([O-])C12COC(CN1C(=O)NCC1CCCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300012696505	1	57	0.0	-80.96	416.71	10.10	-70.86
CC1CCC(C(=O)[O-])N(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012696506	0	61	0.0	-82.50	434.60	13.17	-69.33
CC1CCC(C(=O)[O-])N(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012696506	1	61	0.0	-81.59	435.19	12.76	-68.83
O=C([O-])C(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012696507	0	58	0.0	-76.45	424.49	10.26	-66.19
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012696507	1	58	0.0	-74.41	431.53	10.33	-64.08
O=C([O-])C(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012696508	0	58	0.0	-76.45	424.49	10.26	-66.19
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300012696508	1	58	0.0	-74.41	431.53	10.33	-64.08
CC1CCN(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300012696509	0	58	0.0	-81.62	418.56	11.45	-70.17
CC1CCN(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300012696509	1	58	0.0	-80.82	417.41	11.78	-69.04
C=CCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696510	0	55	0.0	-74.10	417.34	9.70	-64.40
C=CCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696510	1	55	0.0	-74.78	417.05	9.86	-64.92
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696511	0	59	0.0	-58.59	425.46	12.18	-46.41
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696511	1	59	0.0	-60.08	425.39	12.34	-47.74
COC1CC(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012696512	0	59	0.0	-73.05	436.90	8.82	-64.23
COC1CC(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012696512	1	59	0.0	-73.68	437.50	8.86	-64.82
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300012696513	0	55	0.0	-76.92	413.49	10.13	-66.79
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300012696513	1	55	0.0	-75.94	413.29	10.14	-65.80
CO[C@H]1C[C@](NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012696514	0	59	0.0	-75.96	437.12	9.22	-66.74
CO[C@H]1C[C@](NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300012696514	1	59	0.0	-75.49	436.60	8.87	-66.62
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696515	0	61	0.0	-81.33	433.12	13.07	-68.26
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696515	1	61	0.0	-79.20	436.40	12.92	-66.28
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)COC1	REAL300012696516	0	53	0.0	-72.87	395.61	7.15	-65.72
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)COC1	REAL300012696516	1	53	0.0	-72.01	395.69	7.15	-64.86
CC(C)C(C)(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696517	0	60	0.0	-74.32	423.09	10.25	-64.07
CC(C)C(C)(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696517	1	60	0.0	-74.87	422.79	10.41	-64.46
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696518	0	56	0.0	-84.05	410.30	12.48	-71.57
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696518	1	56	0.0	-83.69	410.32	12.48	-71.21
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696519	0	59	0.0	-82.89	426.29	12.04	-70.85
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696519	1	59	0.0	-81.03	426.19	12.03	-69.00
CCC(C(=O)[O-])N(CC)C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696520	0	60	0.0	-72.87	428.99	12.18	-60.69
CCC(C(=O)[O-])N(CC)C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696520	1	60	0.0	-71.03	429.50	12.09	-58.94
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696521	0	55	0.0	-77.95	409.28	11.24	-66.71
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696521	1	55	0.0	-77.17	409.00	11.29	-65.88
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696522	0	57	0.0	-59.74	418.45	12.13	-47.61
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696522	1	57	0.0	-62.36	418.34	12.15	-50.21
CC1(C)CCN(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300012696523	0	61	0.0	-80.26	437.37	12.24	-68.02
CC1(C)CCN(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300012696523	1	61	0.0	-79.83	436.15	12.16	-67.67
CC(C)CCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696524	0	63	0.0	-73.96	463.76	11.32	-62.64
CC(C)CCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696524	1	63	0.0	-76.18	465.35	11.34	-64.84
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696525	0	62	0.0	-61.74	448.99	12.76	-48.98
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696525	1	62	0.0	-62.53	450.31	12.74	-49.79
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCCC2CC21	REAL300012696526	0	62	0.0	-78.70	439.61	12.23	-66.47
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCCC2CC21	REAL300012696526	1	62	0.0	-76.06	442.82	11.87	-64.19
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCC2CC21	REAL300012696527	0	59	0.0	-78.52	427.09	11.29	-67.23
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCC2CC21	REAL300012696527	1	59	0.0	-81.00	427.27	11.24	-69.76
O=C([O-])C1(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC2(CCC2)C1	REAL300012696528	0	62	0.0	-78.11	447.77	11.71	-66.40
O=C([O-])C1(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC2(CCC2)C1	REAL300012696528	1	62	0.0	-78.79	448.54	11.61	-67.18
O=C([O-])C(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300012696529	0	61	0.0	-74.32	443.24	10.87	-63.45
O=C([O-])C(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300012696529	1	61	0.0	-77.35	441.08	10.80	-66.55
CO[C@H](C)[C@H](NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696530	0	58	0.0	-77.45	434.29	8.37	-69.08
CO[C@H](C)[C@H](NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696530	1	58	0.0	-74.72	434.79	8.52	-66.20
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696531	0	58	0.0	-80.78	427.31	11.11	-69.67
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696531	1	58	0.0	-79.32	423.43	10.92	-68.40
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012696532	0	61	0.0	-60.09	443.03	12.03	-48.06
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012696532	1	61	0.0	-59.18	445.77	11.93	-47.25
O=C([O-])C1N(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300012696533	0	55	0.0	-79.86	412.64	11.36	-68.50
O=C([O-])C1N(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300012696533	1	55	0.0	-81.41	413.68	11.19	-70.22
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696534	0	62	0.0	-80.97	441.83	12.50	-68.47
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696534	1	62	0.0	-81.74	441.58	12.63	-69.11
COCCCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696535	0	61	0.0	-72.62	459.20	9.08	-63.54
COCCCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696535	1	61	0.0	-72.25	459.14	9.13	-63.12
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696536	0	60	0.0	-70.84	437.05	12.29	-58.55
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696536	1	60	0.0	-73.66	436.70	12.04	-61.62
CCOCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696537	0	58	0.0	-76.17	437.25	8.45	-67.72
CCOCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696537	1	58	0.0	-77.80	438.36	8.54	-69.26
CC(C)(C)CC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696538	0	63	0.0	-75.25	454.88	11.64	-63.61
CC(C)(C)CC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696538	1	63	0.0	-74.35	454.57	11.80	-62.55
C[C@H]1OCCN(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300012696539	0	59	0.0	-81.19	425.24	10.89	-70.30
C[C@H]1OCCN(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300012696539	1	59	0.0	-79.43	424.64	10.61	-68.82
N#CCCC(NC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696540	0	55	0.0	-75.50	424.05	9.76	-65.74
N#CCCC(NC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012696540	1	55	0.0	-73.92	424.82	9.79	-64.13
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696541	0	58	0.0	-62.89	442.87	12.33	-50.56
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696541	1	58	0.0	-65.74	443.38	12.23	-53.51
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300012696542	0	54	0.0	-70.02	395.30	10.19	-59.83
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300012696542	1	54	0.0	-72.03	394.74	10.36	-61.67
CO[C@H]1C[C@H](NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012696616	0	51	0.0	-62.59	391.51	4.83	-57.76
COCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCOCC1	REAL300012696858	0	61	0.0	-61.71	441.22	5.65	-56.06
CC1=CC(C)=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012697118	0	55	0.0	-65.76	425.23	7.01	-58.75
CN(C)S(=O)(=O)NCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012697999	0	56	0.0	-62.32	439.34	0.65	-61.67
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3CC3C2)CC1	REAL300012698480	0	51	0.0	-63.07	385.83	7.23	-55.84
CC(CO)CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012698647	0	56	0.0	-60.50	418.81	3.70	-56.80
CCCC1=NC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])O1	REAL300012698864	0	55	0.0	-63.45	431.57	4.53	-58.92
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC(C)(C)C2)CC1	REAL300012699578	0	53	0.0	-62.30	398.43	6.93	-55.37
CO[C@H]1C[C@@H](NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012699925	0	51	0.0	-64.55	391.58	4.78	-59.77
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=C3C=CC=CN3N=C2)CC1	REAL300012700643	0	53	0.0	-69.78	418.92	7.21	-62.57
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3(CCC3)C2)CC1	REAL300012700855	0	54	0.0	-62.74	407.01	7.67	-55.07
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C3=CC=CC=N3)CCC2)CC1	REAL300012701849	0	59	0.0	-61.49	442.08	8.11	-53.38
CCOCC(C)(C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012702105	0	59	0.0	-58.71	436.90	6.58	-52.13
CCOC1CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1OC	REAL300012703860	0	58	0.0	-61.19	439.32	4.61	-56.58
COC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCOC1	REAL300012704111	0	55	0.0	-63.01	413.23	3.38	-59.63
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC2(F)F)CC1	REAL300012704303	0	47	0.0	-58.86	369.65	5.87	-52.99
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC(F)C2)CC1	REAL300012704503	0	56	0.0	-65.52	419.63	7.91	-57.61
CN(C)C1=NOC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012704745	0	53	0.0	-64.80	418.60	5.39	-59.41
CC(C)C(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=NN1C	REAL300012705488	0	62	0.0	-58.67	456.39	7.19	-51.48
COC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCCCC1	REAL300012705763	0	60	0.0	-63.34	436.02	6.84	-56.50
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC(C)(C3=CC=CC=C3)C2)CC1	REAL300012706063	0	60	0.0	-59.78	446.11	9.42	-50.36
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NN=C3COCCN23)CC1	REAL300012706580	0	54	0.0	-72.71	420.22	5.07	-67.64
CC(C)C[C@H](NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012706956	0	53	0.0	-82.26	416.10	8.99	-73.27
C=CCOCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012706957	0	52	0.0	-84.60	424.11	7.46	-77.14
C=CC(C)C(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012706958	0	51	0.0	-80.15	406.47	8.71	-71.44
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300012706959	0	55	0.0	-85.25	422.14	7.47	-77.78
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300012706960	0	51	0.0	-77.32	426.28	9.89	-67.43
COC1CCN(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300012706961	0	55	0.0	-93.68	419.70	9.58	-84.10
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)C=C1	REAL300012706962	0	55	0.0	-80.64	421.52	7.51	-73.13
CC1CCN(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300012706963	0	54	0.0	-93.41	401.39	10.95	-82.46
CC1=CC(C(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])=CC=C1F	REAL300012706964	0	54	0.0	-80.38	440.52	10.39	-69.99
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1	REAL300012706965	0	56	0.0	-83.35	449.47	9.62	-73.73
CC1=CC(C(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])=CC(C)=C1	REAL300012706966	0	57	0.0	-85.19	456.35	11.10	-74.09
CC1=CC=C(C(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1C	REAL300012706967	0	57	0.0	-85.16	451.97	10.97	-74.19
CC1=CC=CC(C(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])=C1C	REAL300012706968	0	57	0.0	-84.10	443.22	10.76	-73.34
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012706969	0	50	0.0	-70.71	397.06	10.19	-60.52
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C1CCC1	REAL300012706970	0	54	0.0	-69.08	409.53	10.48	-58.60
CCCN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(COC)C(=O)[O-]	REAL300012706971	0	57	0.0	-80.18	435.35	9.89	-70.29
CCCN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(CC)C(=O)[O-]	REAL300012706972	0	56	0.0	-87.57	430.52	12.11	-75.46
CC(C)C(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012706973	0	50	0.0	-82.53	390.32	7.95	-74.58
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300012706974	0	51	0.0	-94.03	387.94	10.77	-83.26
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300012706975	0	51	0.0	-79.74	429.90	10.24	-69.50
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300012706976	0	49	0.0	-89.85	387.55	10.65	-79.20
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300012706977	0	54	0.0	-87.23	407.15	9.84	-77.39
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCCC2C(=O)[O-])C=C1	REAL300012706978	0	48	0.0	-89.28	376.39	9.53	-79.75
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300012706979	0	51	0.0	-87.75	392.06	8.69	-79.06
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300012706980	0	57	0.0	-87.85	412.81	10.50	-77.35
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012706981	0	54	0.0	-84.00	436.07	10.62	-73.38
C[NH+](C)CCC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012706982	0	54	0.0	-71.27	434.56	12.44	-58.83
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012706983	0	51	0.0	-84.10	413.57	9.78	-74.32
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012706984	0	51	0.0	-84.40	413.79	9.69	-74.71
CCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012706985	0	47	0.0	-82.09	377.63	7.62	-74.47
CC(C)C(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012706986	0	50	0.0	-82.53	390.32	7.95	-74.58
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012706987	0	54	0.0	-84.00	436.07	10.62	-73.38
CCC(C)C(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012706988	0	53	0.0	-83.43	412.61	8.83	-74.60
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300012706989	0	51	0.0	-94.03	387.94	10.77	-83.26
CCCC(C)(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012706990	0	53	0.0	-83.76	403.27	8.75	-75.01
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012706991	0	50	0.0	-71.26	385.69	9.71	-61.55
C[NH+](C)CCC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300012706992	0	48	0.0	-68.21	379.11	9.99	-58.22
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012706993	0	48	0.0	-70.47	388.38	9.99	-60.48
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012706994	0	53	0.0	-70.17	411.48	10.49	-59.68
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300012706995	0	55	0.0	-93.93	425.71	12.76	-81.17
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300012706996	0	47	0.0	-69.05	368.38	7.00	-62.05
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300012706997	0	51	0.0	-85.29	391.28	8.74	-76.55
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C=C1	REAL300012706998	0	48	0.0	-81.90	404.80	8.81	-73.09
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300012706999	0	54	0.0	-87.23	407.15	9.84	-77.39
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707000	0	50	0.0	-71.26	385.69	9.71	-61.55
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707001	0	50	0.0	-70.71	397.06	10.19	-60.52
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707002	0	47	0.0	-81.53	375.57	9.43	-72.10
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707003	0	53	0.0	-83.26	408.88	8.58	-74.68
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300012707004	0	51	0.0	-87.75	392.06	8.69	-79.06
C[NH+](C)CCC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1	REAL300012707005	0	54	0.0	-68.46	440.98	12.51	-55.95
CCC(C)(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707006	0	50	0.0	-83.33	381.77	7.99	-75.34
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=C1	REAL300012707007	0	55	0.0	-87.13	431.75	10.87	-76.26
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300012707008	0	51	0.0	-83.38	424.40	9.90	-73.48
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012707009	0	54	0.0	-85.83	421.59	10.47	-75.36
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707010	0	47	0.0	-81.53	375.57	9.43	-72.10
CCCCCCC(C)(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707011	0	62	0.0	-84.07	467.77	11.08	-72.99
CN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012707012	0	57	0.0	-79.69	445.15	12.67	-67.02
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300012707013	0	45	0.0	-88.76	361.97	7.82	-80.94
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300012707014	0	51	0.0	-79.74	429.90	10.24	-69.50
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300012707015	0	49	0.0	-89.78	378.89	8.14	-81.64
CN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C1(C(=O)[O-])CCCCC1	REAL300012707016	0	57	0.0	-88.53	416.41	11.14	-77.39
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300012707017	0	48	0.0	-81.79	384.55	8.11	-73.68
C[NH+](C)CCC1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300012707018	0	57	0.0	-71.75	456.97	13.21	-58.54
CN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012707019	0	54	0.0	-80.16	425.03	11.46	-68.70
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707020	0	51	0.0	-71.26	406.94	8.62	-62.64
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C=C1	REAL300012707021	0	55	0.0	-91.39	428.82	10.82	-80.57
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300012707022	0	48	0.0	-89.57	377.15	9.22	-80.35
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300012707023	0	51	0.0	-93.05	387.26	10.56	-82.49
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707024	0	47	0.0	-76.55	368.66	8.70	-67.85
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300012707025	0	48	0.0	-89.23	376.41	9.53	-79.70
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300012707026	0	48	0.0	-88.13	378.76	8.32	-79.81
C=CCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707027	0	48	0.0	-81.68	390.91	8.07	-73.61
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300012707028	0	51	0.0	-89.21	393.53	10.08	-79.13
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCCCCC2C(=O)[O-])C=C1	REAL300012707029	0	54	0.0	-91.15	402.43	11.40	-79.75
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300012707030	0	48	0.0	-81.79	384.55	8.11	-73.68
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707031	0	47	0.0	-76.90	367.59	8.62	-68.28
CCCCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707032	0	53	0.0	-81.64	420.39	9.23	-72.41
C[NH+](C)CCC1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300012707033	0	57	0.0	-71.75	456.97	13.21	-58.54
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300012707034	0	51	0.0	-89.25	393.54	10.07	-79.18
C[NH+](C)CCC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300012707035	0	54	0.0	-70.22	411.92	11.00	-59.22
COCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707036	0	48	0.0	-83.70	389.50	5.85	-77.85
CCCCCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707037	0	56	0.0	-81.96	442.13	9.94	-72.02
CCC1CCC(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)(C(=O)[O-])CC1	REAL300012707038	0	60	0.0	-87.16	446.21	11.08	-76.08
C[NH+](C)CCC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C=C1	REAL300012707039	0	55	0.0	-70.77	420.34	9.34	-61.43
CN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C1(C(=O)[O-])CCCC1	REAL300012707040	0	54	0.0	-89.84	403.08	10.43	-79.41
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C1CC1	REAL300012707041	0	51	0.0	-70.64	393.97	10.14	-60.50
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C1CC1	REAL300012707042	0	54	0.0	-69.49	415.48	11.30	-58.19
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300012707043	0	51	0.0	-85.57	424.55	10.15	-75.42
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300012707044	0	51	0.0	-89.21	417.96	9.85	-79.36
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300012707045	0	55	0.0	-73.28	428.71	12.12	-61.16
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300012707046	0	60	0.0	-82.61	457.72	10.89	-71.72
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707047	0	57	0.0	-71.25	442.21	12.53	-58.72
CC1=CC=C(C(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300012707048	0	54	0.0	-84.51	435.22	10.38	-74.13
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012707049	0	47	0.0	-76.23	393.33	8.39	-67.84
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300012707050	0	52	0.0	-82.77	404.85	9.53	-73.24
COCC(C)(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707051	0	51	0.0	-87.31	400.02	7.26	-80.05
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707052	0	54	0.0	-78.37	420.02	8.93	-69.44
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707053	0	53	0.0	-70.17	411.48	10.49	-59.68
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707054	0	60	0.0	-69.29	454.10	12.90	-56.39
C[NH+](C)CCC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300012707055	0	48	0.0	-68.21	379.11	9.99	-58.22
C[NH+](C)CCC1=CC=C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300012707056	0	50	0.0	-69.56	415.20	10.57	-58.99
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300012707057	0	49	0.0	-82.69	383.28	6.13	-76.56
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1	REAL300012707058	0	57	0.0	-83.88	436.33	10.07	-73.81
CN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(COC1CCC1)C(=O)[O-]	REAL300012707059	0	58	0.0	-78.75	447.17	10.33	-68.42
C[NH+](C)CCC1=CC=C(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C=C1	REAL300012707060	0	58	0.0	-95.11	451.83	13.77	-81.34
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300012707061	0	52	0.0	-85.76	398.58	7.33	-78.43
C=CCCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707062	0	51	0.0	-81.43	411.71	9.00	-72.43
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C1	REAL300012707063	0	44	0.0	-69.19	359.43	6.60	-62.59
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707064	0	57	0.0	-67.72	443.92	13.46	-54.26
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707065	0	47	0.0	-76.90	367.59	8.62	-68.28
CCC(CC)(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707066	0	53	0.0	-84.68	398.16	8.88	-75.80
COC1=CC=C(C(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300012707067	0	55	0.0	-83.72	443.26	8.98	-74.74
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707068	0	53	0.0	-69.44	408.88	10.88	-58.56
CCC(COC)(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707069	0	54	0.0	-88.81	416.46	8.19	-80.62
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707070	0	57	0.0	-78.82	440.90	9.79	-69.03
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C=C1	REAL300012707071	0	54	0.0	-86.71	423.70	5.83	-80.88
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300012707072	0	51	0.0	-81.85	409.52	9.11	-72.74
COCCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707073	0	51	0.0	-81.39	411.06	6.75	-74.64
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707074	0	56	0.0	-78.70	427.81	11.06	-67.64
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300012707075	0	47	0.0	-77.07	388.01	8.21	-68.86
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707076	0	57	0.0	-91.90	428.17	12.03	-79.87
CCCN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300012707077	0	53	0.0	-77.82	407.30	10.27	-67.55
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707078	0	57	0.0	-68.78	445.26	13.55	-55.23
CCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012707079	0	57	0.0	-86.79	438.46	11.34	-75.45
COC1CCCC(C(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C1	REAL300012707080	0	61	0.0	-87.53	463.15	8.90	-78.63
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C1	REAL300012707081	0	47	0.0	-79.94	384.23	7.75	-72.19
COC1(CC(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])CCC1	REAL300012707082	0	58	0.0	-84.23	448.03	8.98	-75.25
C[NH+](C)CCC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C=C1	REAL300012707083	0	55	0.0	-70.77	420.34	9.34	-61.43
C[NH+](C)CCC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)C=C1	REAL300012707084	0	57	0.0	-70.78	429.28	11.71	-59.07
C[C@H]1CC[C@@](NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)(C(=O)[O-])CC1	REAL300012707085	0	57	0.0	-87.52	420.96	10.22	-77.30
COC1=CC=CC(C(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300012707086	0	55	0.0	-86.66	443.30	8.99	-77.67
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300012707087	0	50	0.0	-79.86	388.36	8.14	-71.72
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=C1	REAL300012707088	0	52	0.0	-74.28	411.13	10.30	-63.98
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C=C1	REAL300012707089	0	48	0.0	-82.18	391.53	9.27	-72.91
COC1=CC=CC([C@H](NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300012707090	0	55	0.0	-86.28	442.69	9.00	-77.28
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707091	0	47	0.0	-76.53	368.64	8.69	-67.84
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300012707092	0	57	0.0	-91.40	442.61	11.44	-79.96
COC1=CC=CC(CC(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300012707093	0	58	0.0	-86.78	465.27	10.00	-76.78
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=C1	REAL300012707094	0	60	0.0	-88.65	435.06	10.71	-77.94
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300012707095	0	49	0.0	-94.79	383.69	10.16	-84.63
COC1CN(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(C)(C(=O)[O-])C1	REAL300012707096	0	55	0.0	-89.00	426.79	9.05	-79.95
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C=C1	REAL300012707097	0	58	0.0	-82.21	448.79	8.52	-73.69
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300012707098	0	53	0.0	-83.50	408.42	8.72	-74.78
C=C(Cl)CC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707099	0	48	0.0	-78.32	405.87	8.80	-69.52
C=C(C)CC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707100	0	51	0.0	-82.12	410.54	8.99	-73.13
C[NH+](C)CCC1=CC=C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300012707101	0	52	0.0	-97.38	398.98	10.93	-86.45
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300012707102	0	48	0.0	-81.33	389.35	9.72	-71.61
C[NH+](C)CCC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300012707103	0	48	0.0	-85.95	382.86	9.62	-76.33
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300012707104	0	49	0.0	-89.36	390.58	9.63	-79.73
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300012707105	0	58	0.0	-81.46	444.65	9.16	-72.30
CC(C)C[C@H](NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707106	0	53	0.0	-82.26	416.10	8.99	-73.27
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300012707107	0	55	0.0	-85.25	422.14	7.47	-77.78
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012707108	0	51	0.0	-84.40	413.79	9.69	-74.71
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300012707109	0	51	0.0	-81.85	409.52	9.11	-72.74
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C=C1	REAL300012707110	0	50	0.0	-80.63	421.77	7.82	-72.81
CC(C)CCCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707111	0	59	0.0	-81.65	459.46	10.51	-71.14
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])C=C1	REAL300012707112	0	55	0.0	-87.05	433.82	8.01	-79.04
CSCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707113	0	48	0.0	-80.22	401.34	7.96	-72.26
COC[C@H](NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707114	0	48	0.0	-83.50	389.01	5.85	-77.65
CC[C@H](NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707115	0	47	0.0	-82.08	377.64	7.61	-74.47
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012707116	0	54	0.0	-81.04	442.23	10.77	-70.27
CCC(C)CC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707117	0	56	0.0	-82.93	434.70	9.57	-73.36
C=CCCCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707118	0	54	0.0	-81.68	433.20	9.78	-71.90
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012707119	0	54	0.0	-80.93	441.59	10.71	-70.22
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300012707120	0	49	0.0	-89.85	387.55	10.65	-79.20
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012707121	0	54	0.0	-85.83	421.59	10.47	-75.36
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300012707122	0	48	0.0	-89.57	377.15	9.22	-80.35
CCCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707123	0	50	0.0	-81.69	398.89	8.45	-73.24
CC(C)[C@@H](NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707124	0	50	0.0	-81.63	392.76	8.23	-73.40
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=C1	REAL300012707125	0	52	0.0	-95.79	397.71	11.09	-84.70
CCN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(C)(C)C(=O)[O-]	REAL300012707126	0	53	0.0	-86.99	402.36	10.40	-76.59
CCCN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300012707127	0	53	0.0	-77.82	407.30	10.27	-67.55
C[NH+](C)CCC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=C1	REAL300012707128	0	47	0.0	-76.56	390.18	9.93	-66.63
C[NH+](C)CCC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=C1	REAL300012707129	0	47	0.0	-76.56	390.18	9.93	-66.63
CN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(C)(C)C(=O)[O-]	REAL300012707130	0	50	0.0	-86.73	382.78	9.54	-77.19
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300012707131	0	48	0.0	-89.23	376.41	9.53	-79.70
C[NH+](C)CCC1=CC=C(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C=C1	REAL300012707132	0	60	0.0	-71.58	457.53	7.52	-64.06
C[NH+](C)CCC1=CC=C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C=C1	REAL300012707133	0	49	0.0	-90.76	388.40	5.84	-84.92
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707134	0	55	0.0	-71.34	430.67	12.56	-58.78
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)[C@H]1C(=O)[O-]	REAL300012707135	0	58	0.0	-73.07	440.82	12.77	-60.30
CCC[C@@H](NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707136	0	50	0.0	-81.65	398.89	8.44	-73.21
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300012707137	0	56	0.0	-79.84	433.60	10.85	-68.99
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012707138	0	51	0.0	-84.10	413.57	9.78	-74.32
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300012707139	0	56	0.0	-83.10	453.68	9.70	-73.40
C=CCCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707140	0	51	0.0	-81.43	411.71	9.00	-72.43
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300012707141	0	50	0.0	-84.96	422.59	7.62	-77.34
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C=C1	REAL300012707142	0	51	0.0	-96.80	406.89	7.09	-89.71
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)CC1=O	REAL300012707143	0	52	0.0	-83.76	404.43	8.82	-74.94
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300012707144	0	51	0.0	-89.28	393.49	10.09	-79.19
CC(C)[C@H](NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707145	0	50	0.0	-81.60	388.76	7.93	-73.67
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012707146	0	51	0.0	-83.89	413.16	9.72	-74.17
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300012707147	0	54	0.0	-86.71	423.25	9.02	-77.69
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707148	0	47	0.0	-76.53	368.64	8.69	-67.84
CCC[C@H](NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707149	0	50	0.0	-81.98	399.13	8.37	-73.61
CCN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300012707150	0	50	0.0	-84.40	388.42	10.14	-74.26
C[NH+](C)CCC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300012707151	0	54	0.0	-70.22	411.92	11.00	-59.22
CC(CN(C)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707152	0	50	0.0	-79.07	387.98	9.10	-69.97
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707153	0	53	0.0	-83.26	408.88	8.58	-74.68
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707154	0	50	0.0	-76.96	388.59	9.66	-67.30
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C=C1	REAL300012707155	0	52	0.0	-88.61	411.03	5.62	-82.99
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707156	0	60	0.0	-85.24	461.11	8.92	-76.32
CC1CCC(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300012707157	0	54	0.0	-87.59	413.71	9.36	-78.23
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C=C1	REAL300012707158	0	57	0.0	-88.35	423.17	10.08	-78.27
COCCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707159	0	51	0.0	-81.39	411.06	6.75	-74.64
CN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012707160	0	57	0.0	-79.69	445.15	12.67	-67.02
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300012707161	0	54	0.0	-88.98	414.97	10.02	-78.96
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300012707162	0	51	0.0	-83.68	406.44	8.70	-74.98
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707163	0	60	0.0	-84.51	461.53	8.91	-75.60
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C=C1	REAL300012707164	0	49	0.0	-96.08	388.38	6.00	-90.08
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOC2)C=C1	REAL300012707165	0	52	0.0	-82.85	404.74	6.60	-76.25
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1	REAL300012707166	0	52	0.0	-94.92	398.56	10.67	-84.25
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300012707167	0	55	0.0	-92.00	445.71	9.76	-82.24
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1	REAL300012707168	0	50	0.0	-90.17	391.03	8.36	-81.81
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300012707169	0	54	0.0	-93.73	408.75	11.43	-82.30
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707170	0	57	0.0	-82.98	451.17	10.99	-71.99
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300012707171	0	58	0.0	-82.48	449.49	10.78	-71.70
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300012707172	0	51	0.0	-82.74	402.51	8.68	-74.06
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1	REAL300012707173	0	57	0.0	-83.88	436.33	10.07	-73.81
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300012707174	0	51	0.0	-82.74	402.51	8.68	-74.06
CC1CCN(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C1C(=O)[O-]	REAL300012707175	0	51	0.0	-90.65	397.75	9.84	-80.81
C=CCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707176	0	48	0.0	-81.68	390.91	8.07	-73.61
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300012707177	0	58	0.0	-82.23	449.63	9.42	-72.81
C[NH+](C)CCC1=CC=C(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=C1	REAL300012707178	0	58	0.0	-69.57	423.48	11.37	-58.20
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C=C1	REAL300012707179	0	58	0.0	-86.54	427.66	8.62	-77.92
CC1=CC=CC2=C1CCN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C2C(=O)[O-]	REAL300012707180	0	58	0.0	-98.78	441.76	13.15	-85.63
C[NH+](C)CCC1=CC=C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=C1	REAL300012707181	0	52	0.0	-71.61	399.18	10.55	-61.06
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300012707182	0	58	0.0	-82.48	449.49	10.78	-71.70
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300012707183	0	54	0.0	-84.78	442.48	10.69	-74.09
COC1CC(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300012707184	0	52	0.0	-89.96	412.12	7.30	-82.66
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300012707185	0	48	0.0	-86.26	387.19	8.35	-77.91
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300012707186	0	52	0.0	-84.14	410.23	7.21	-76.93
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C=C1	REAL300012707187	0	51	0.0	-80.79	418.87	9.11	-71.68
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707188	0	54	0.0	-90.43	409.29	11.24	-79.19
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012707189	0	47	0.0	-76.23	393.33	8.39	-67.84
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300012707190	0	55	0.0	-82.05	432.53	7.68	-74.37
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])COC2)C=C1	REAL300012707191	0	46	0.0	-81.39	369.74	5.35	-76.04
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C=C1	REAL300012707192	0	51	0.0	-83.36	427.94	9.67	-73.69
COCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012707193	0	58	0.0	-85.26	454.56	9.67	-75.59
CC(C)C(C)(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707194	0	53	0.0	-84.02	396.70	8.61	-75.41
C[NH+](C)CCC1=CC=C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012707195	0	49	0.0	-93.90	384.07	10.70	-83.20
C[NH+](C)CCC1=CC=C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012707196	0	52	0.0	-91.22	400.02	10.31	-80.91
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707197	0	57	0.0	-68.78	445.26	13.55	-55.23
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300012707198	0	60	0.0	-82.61	457.72	10.89	-71.72
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012707199	0	57	0.0	-83.08	459.04	11.41	-71.67
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012707200	0	57	0.0	-83.08	459.04	11.40	-71.68
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300012707201	0	58	0.0	-83.93	438.08	10.29	-73.64
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300012707202	0	60	0.0	-82.90	457.97	10.82	-72.08
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300012707203	0	60	0.0	-82.65	457.73	10.88	-71.77
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=C1	REAL300012707204	0	58	0.0	-70.89	439.08	11.45	-59.44
C[NH+](C)CCC1=CC=C(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012707205	0	58	0.0	-92.05	435.40	11.22	-80.83
COC1=CC=C(CC(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300012707206	0	58	0.0	-83.38	465.50	9.92	-73.46
C=CCSCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707207	0	52	0.0	-80.28	435.61	9.41	-70.87
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C=C1	REAL300012707208	0	55	0.0	-81.71	456.59	11.09	-70.62
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707209	0	53	0.0	-77.58	401.84	10.33	-67.25
COC1(C(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])CCC1	REAL300012707210	0	55	0.0	-79.81	425.23	7.29	-72.52
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C=C1	REAL300012707211	0	57	0.0	-84.85	438.78	10.62	-74.23
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C=C1	REAL300012707212	0	58	0.0	-88.71	445.11	11.75	-76.96
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C=C1	REAL300012707213	0	51	0.0	-83.33	408.87	9.07	-74.26
CC(C)C1=CC=C(C(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300012707215	0	60	0.0	-83.75	473.78	11.70	-72.05
C[NH+](C)CCC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300012707216	0	48	0.0	-85.95	382.86	9.62	-76.33
C[NH+](C)CCC1=CC=C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1	REAL300012707217	0	50	0.0	-70.82	392.48	10.35	-60.47
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1	REAL300012707218	0	54	0.0	-90.73	408.72	10.50	-80.23
CCOC1=CC=C(C(NC(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300012707219	0	58	0.0	-83.52	465.14	9.92	-73.60
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C=C1	REAL300012707220	0	58	0.0	-93.29	432.67	12.19	-81.10
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300012707221	0	58	0.0	-83.10	454.26	11.58	-71.52
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012707222	0	58	0.0	-89.30	456.23	10.74	-78.56
CC(C)CCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707223	0	56	0.0	-82.10	438.21	9.67	-72.43
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1	REAL300012707224	0	55	0.0	-71.08	424.10	10.98	-60.10
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300012707225	0	55	0.0	-82.05	432.53	7.68	-74.37
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300012707226	0	52	0.0	-87.03	420.64	10.49	-76.54
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012707227	0	55	0.0	-89.36	413.00	10.47	-78.89
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C=C1	REAL300012707228	0	52	0.0	-88.81	400.13	9.56	-79.25
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300012707229	0	55	0.0	-87.67	421.37	9.96	-77.71
CN(C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012707230	0	57	0.0	-80.42	446.59	12.61	-67.81
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C=C1	REAL300012707231	0	61	0.0	-70.67	452.33	12.01	-58.66
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCC2)C=C1	REAL300012707232	0	54	0.0	-83.17	419.42	9.35	-73.82
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707233	0	51	0.0	-83.40	407.50	6.92	-76.48
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707234	0	51	0.0	-91.37	400.65	9.36	-82.01
C[NH+](C)CCC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012707235	0	54	0.0	-71.27	434.56	12.44	-58.83
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C=C1	REAL300012707236	0	54	0.0	-70.80	416.22	10.32	-60.48
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C=C1	REAL300012707237	0	51	0.0	-88.98	398.57	10.65	-78.33
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1	REAL300012707238	0	48	0.0	-90.95	388.06	9.67	-81.28
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300012707239	0	54	0.0	-84.78	442.48	10.69	-74.09
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012707240	0	51	0.0	-82.27	426.05	9.56	-72.71
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=C1	REAL300012707241	0	51	0.0	-80.91	405.58	10.20	-70.71
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C=C1	REAL300012707242	0	55	0.0	-88.75	440.82	10.36	-78.39
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012707243	0	51	0.0	-82.27	426.05	9.56	-72.71
C[NH+](C)CCC1=CC=C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012707244	0	55	0.0	-91.88	415.29	10.69	-81.19
COCCCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707245	0	54	0.0	-81.71	432.81	7.46	-74.25
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707246	0	53	0.0	-77.19	410.61	10.53	-66.66
CCOCC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300012707247	0	51	0.0	-84.12	411.35	6.83	-77.29
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300012707248	0	56	0.0	-82.66	428.49	10.01	-72.65
C[NH+](C)CCC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCO2)C=C1	REAL300012707249	0	55	0.0	-85.08	426.37	7.78	-77.30
C[NH+](C)CCC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=C1	REAL300012707250	0	55	0.0	-87.13	431.75	10.87	-76.26
C[C@H]1OCCN(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)[C@@H]1C(=O)[O-]	REAL300012707251	0	52	0.0	-90.01	398.41	8.85	-81.16
C[NH+](C)CCC1=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300012707252	0	48	0.0	-81.51	398.25	8.19	-73.32
C[NH+](C)CCC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C=C1	REAL300012707253	0	51	0.0	-70.97	416.23	10.59	-60.38
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300012707254	0	47	0.0	-76.55	368.66	8.70	-67.85
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300012707255	0	55	0.0	-85.83	431.81	9.38	-76.45
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCSCC2=CC=CC=C2)CC1	REAL300012707631	0	57	0.0	-59.70	452.16	9.30	-50.40
CC(C)C[C@H](NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707761	0	54	0.0	-70.12	399.43	6.16	-63.96
CC(C)C[C@H](NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707761	1	54	0.0	-75.54	405.37	6.27	-69.27
C=CCOCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707762	0	53	0.0	-73.50	407.60	4.63	-68.87
C=CCOCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707762	1	53	0.0	-76.07	414.09	4.72	-71.35
C=CC(C)C(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707763	0	52	0.0	-67.60	391.01	6.00	-61.60
C=CC(C)C(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707763	1	52	0.0	-76.94	393.70	5.79	-71.15
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012707764	0	56	0.0	-74.46	405.49	4.63	-69.83
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012707764	1	56	0.0	-77.31	411.95	4.72	-72.59
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012707765	0	52	0.0	-65.20	409.57	7.11	-58.09
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012707765	1	52	0.0	-71.00	415.71	7.14	-63.86
COC1CCN(C(=O)NCC2C[N@H+](CC(C)C)CCO2)C(C(=O)[O-])C1	REAL300012707766	0	56	0.0	-78.15	401.57	7.14	-71.01
COC1CCN(C(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(C(=O)[O-])C1	REAL300012707766	1	56	0.0	-83.45	407.77	7.01	-76.44
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012707767	0	56	0.0	-68.84	404.67	4.72	-64.12
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012707767	1	56	0.0	-73.97	414.52	4.96	-69.01
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(C)CC2C(=O)[O-])C1	REAL300012707768	0	55	0.0	-75.84	391.17	8.31	-67.53
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(C)CC2C(=O)[O-])C1	REAL300012707768	1	55	0.0	-82.81	391.14	8.24	-74.57
CC1=CC(C(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])=CC=C1F	REAL300012707769	0	55	0.0	-67.45	423.63	7.69	-59.76
CC1=CC(C(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])=CC=C1F	REAL300012707769	1	55	0.0	-73.80	430.39	7.69	-66.11
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012707770	0	57	0.0	-72.36	433.04	6.76	-65.60
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012707770	1	57	0.0	-75.16	439.58	6.83	-68.33
CC1=CC(C)=CC(C(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])=C1	REAL300012707771	0	58	0.0	-77.85	446.56	8.34	-69.51
CC1=CC(C)=CC(C(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])=C1	REAL300012707771	1	58	0.0	-78.17	446.46	8.31	-69.86
CC1=CC=C(C(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])C=C1C	REAL300012707772	0	58	0.0	-72.24	435.35	8.11	-64.13
CC1=CC=C(C(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])C=C1C	REAL300012707772	1	58	0.0	-77.73	441.80	8.28	-69.45
CC1=CC=CC(C(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])=C1C	REAL300012707773	0	58	0.0	-74.82	433.01	7.95	-66.87
CC1=CC=CC(C(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])=C1C	REAL300012707773	1	58	0.0	-76.66	432.72	8.00	-68.66
COC1=CC=C(C(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])C=C1F	REAL300012707774	0	56	0.0	-69.17	432.39	6.36	-62.81
COC1=CC=C(C(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])C=C1F	REAL300012707774	1	56	0.0	-74.64	438.76	6.38	-68.26
CCCN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707775	0	51	0.0	-61.46	387.42	7.43	-54.03
CCCN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707775	1	51	0.0	-64.34	386.94	7.49	-56.85
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)C1	REAL300012707776	0	55	0.0	-61.44	393.76	7.88	-53.56
CC(C)C[N@H+]1CCOC(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)C1	REAL300012707776	1	55	0.0	-62.09	394.58	7.95	-54.14
CCCN(C(=O)NCC1C[N@H+](CC(C)C)CCO1)C(COC)C(=O)[O-]	REAL300012707777	0	58	0.0	-69.29	418.56	7.08	-62.21
CCCN(C(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(COC)C(=O)[O-]	REAL300012707777	1	58	0.0	-77.08	429.93	8.43	-68.65
CCCN(C(=O)NCC1C[N@H+](CC(C)C)CCO1)C(CC)C(=O)[O-]	REAL300012707778	0	57	0.0	-73.13	413.50	8.29	-64.84
CCCN(C(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(CC)C(=O)[O-]	REAL300012707778	1	57	0.0	-75.17	415.02	9.09	-66.08
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C(C)C)C1	REAL300012707779	0	51	0.0	-74.10	380.49	5.18	-68.92
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C(C)C)C1	REAL300012707779	1	51	0.0	-76.07	380.17	5.24	-70.83
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012707780	0	52	0.0	-75.68	370.33	7.71	-67.97
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012707780	1	52	0.0	-82.29	377.21	7.88	-74.41
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012707781	0	52	0.0	-73.76	420.67	7.54	-66.22
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012707781	1	52	0.0	-71.59	420.14	7.59	-64.00
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012707782	0	50	0.0	-75.15	370.88	8.01	-67.14
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012707782	1	50	0.0	-81.42	377.91	8.09	-73.33
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012707783	0	55	0.0	-73.52	390.48	7.05	-66.47
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012707783	1	55	0.0	-76.86	396.99	7.14	-69.72
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCCC2C(=O)[O-])C1	REAL300012707784	0	49	0.0	-74.96	360.34	6.42	-68.54
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCCC2C(=O)[O-])C1	REAL300012707784	1	49	0.0	-79.81	366.97	6.52	-73.29
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012707785	0	52	0.0	-72.33	375.20	5.90	-66.43
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012707785	1	52	0.0	-77.21	383.45	6.04	-71.17
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012707786	0	58	0.0	-73.40	395.97	7.71	-65.69
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012707786	1	58	0.0	-77.46	402.68	7.79	-69.67
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012707787	0	55	0.0	-70.74	419.35	7.86	-62.88
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012707787	1	55	0.0	-76.76	425.05	7.93	-68.83
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012707788	0	55	0.0	-61.13	424.73	9.67	-51.46
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012707788	1	55	0.0	-64.47	424.41	9.74	-54.73
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707789	0	52	0.0	-77.40	403.98	6.93	-70.47
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707789	1	52	0.0	-75.17	403.41	7.07	-68.10
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707790	0	52	0.0	-74.87	403.33	6.96	-67.91
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707790	1	52	0.0	-75.22	403.45	7.06	-68.16
CCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707791	0	48	0.0	-69.11	359.94	4.83	-64.28
CCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707791	1	48	0.0	-73.84	367.51	4.91	-68.93
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C(C)C)C1	REAL300012707792	0	51	0.0	-74.10	380.49	5.18	-68.92
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C(C)C)C1	REAL300012707792	1	51	0.0	-76.07	380.17	5.24	-70.83
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012707793	0	55	0.0	-70.74	419.35	7.86	-62.88
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012707793	1	55	0.0	-76.76	425.05	7.93	-68.83
CCC(C)C(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707794	0	54	0.0	-69.36	393.89	6.06	-63.30
CCC(C)C(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707794	1	54	0.0	-74.83	399.71	6.07	-68.76
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012707795	0	52	0.0	-75.68	370.33	7.71	-67.97
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012707795	1	52	0.0	-82.29	377.21	7.88	-74.41
CCCC(C)(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707796	0	54	0.0	-69.30	386.41	5.96	-63.34
CCCC(C)(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707796	1	54	0.0	-68.83	386.69	5.90	-62.93
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C(C)C)C1	REAL300012707797	0	51	0.0	-58.18	368.76	6.92	-51.26
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C(C)C)C1	REAL300012707797	1	51	0.0	-75.29	375.97	7.02	-68.27
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012707798	0	49	0.0	-71.43	359.71	6.92	-64.51
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012707798	1	49	0.0	-73.93	370.36	7.13	-66.80
C=CCN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707799	0	49	0.0	-60.69	378.54	7.23	-53.46
C=CCN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707799	1	49	0.0	-64.12	378.22	7.30	-56.82
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707800	0	54	0.0	-58.59	388.22	7.45	-51.14
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707800	1	54	0.0	-64.28	401.56	8.02	-56.26
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012707801	0	56	0.0	-76.83	408.41	9.98	-66.85
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012707801	1	56	0.0	-82.73	415.08	9.97	-72.76
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C)(C)C(=O)[O-])C1	REAL300012707802	0	48	0.0	-62.21	351.53	4.20	-58.01
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C)(C)C(=O)[O-])C1	REAL300012707802	1	48	0.0	-64.78	358.22	4.30	-60.48
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012707803	0	52	0.0	-69.20	374.35	5.95	-63.25
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012707803	1	52	0.0	-74.87	381.10	6.05	-68.82
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012707804	0	49	0.0	-75.50	395.60	6.02	-69.48
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012707804	1	49	0.0	-75.41	395.27	6.06	-69.35
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012707805	0	55	0.0	-73.52	390.48	7.05	-66.47
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012707805	1	55	0.0	-76.86	396.99	7.14	-69.72
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012707806	0	55	0.0	-57.82	428.54	9.89	-47.93
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012707806	1	55	0.0	-61.92	441.13	10.26	-51.66
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C(C)C)C1	REAL300012707807	0	51	0.0	-58.18	368.76	6.92	-51.26
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C(C)C)C1	REAL300012707807	1	51	0.0	-75.29	375.97	7.02	-68.27
CCCN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707808	0	51	0.0	-61.46	387.42	7.43	-54.03
CCCN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707808	1	51	0.0	-64.34	386.94	7.49	-56.85
CCN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707809	0	48	0.0	-69.59	353.49	6.44	-63.15
CCN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707809	1	48	0.0	-73.21	365.42	6.74	-66.47
CC[C@H](C)[C@H](NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707810	0	54	0.0	-73.38	397.38	5.80	-67.58
CC[C@H](C)[C@H](NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707810	1	54	0.0	-76.65	398.71	5.88	-70.77
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012707811	0	52	0.0	-72.33	375.20	5.90	-66.43
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012707811	1	52	0.0	-77.21	383.45	6.04	-71.17
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012707812	0	55	0.0	-58.01	418.02	9.42	-48.59
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012707812	1	55	0.0	-62.16	430.84	9.80	-52.36
CCC(C)(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707813	0	51	0.0	-67.75	365.11	5.20	-62.55
CCC(C)(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707813	1	51	0.0	-68.55	365.19	5.15	-63.40
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012707814	0	56	0.0	-72.91	416.42	8.16	-64.75
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012707814	1	56	0.0	-77.39	422.99	8.30	-69.09
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012707815	0	52	0.0	-76.42	414.96	7.09	-69.33
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012707815	1	52	0.0	-74.83	414.29	7.20	-67.63
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707816	0	55	0.0	-75.53	411.75	7.71	-67.82
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707816	1	55	0.0	-75.60	411.36	7.78	-67.82
CCN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707817	0	48	0.0	-69.59	353.49	6.44	-63.15
CCN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707817	1	48	0.0	-73.21	365.42	6.74	-66.47
CCCCCCC(C)(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707818	0	63	0.0	-69.46	450.91	8.29	-61.17
CCCCCCC(C)(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707818	1	63	0.0	-68.93	451.19	8.23	-60.70
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012707819	0	58	0.0	-69.13	428.57	9.95	-59.18
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012707819	1	58	0.0	-72.82	434.99	9.97	-62.85
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012707820	0	52	0.0	-73.76	420.67	7.54	-66.22
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012707820	1	52	0.0	-71.59	420.14	7.59	-64.00
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012707821	0	50	0.0	-74.12	361.47	5.32	-68.80
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012707821	1	50	0.0	-80.03	368.37	5.38	-74.65
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012707822	0	58	0.0	-73.55	399.55	8.34	-65.21
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C1	REAL300012707822	1	58	0.0	-78.31	406.28	8.43	-69.88
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012707823	0	49	0.0	-70.92	365.01	5.30	-65.62
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012707823	1	49	0.0	-74.27	371.73	5.39	-68.88
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012707824	0	58	0.0	-61.87	447.14	10.45	-51.42
CC(C)C[N@H+]1CCOC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012707824	1	58	0.0	-61.15	440.42	10.34	-50.81
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707825	0	55	0.0	-76.01	413.71	9.19	-66.82
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707825	1	55	0.0	-73.36	410.94	8.56	-64.80
COCCN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707826	0	52	0.0	-62.32	397.30	5.86	-56.46
COCCN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707826	1	52	0.0	-64.94	396.79	5.92	-59.02
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012707827	0	56	0.0	-73.86	411.78	7.97	-65.89
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012707827	1	56	0.0	-79.64	418.34	8.10	-71.54
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012707828	0	49	0.0	-82.28	367.31	6.47	-75.81
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012707828	1	49	0.0	-79.72	366.99	6.53	-73.19
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012707829	0	52	0.0	-84.31	377.44	7.79	-76.52
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012707829	1	52	0.0	-82.54	377.04	7.87	-74.67
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1	REAL300012707830	0	48	0.0	-71.94	358.52	5.81	-66.13
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1	REAL300012707830	1	48	0.0	-70.02	358.03	5.88	-64.14
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012707831	0	49	0.0	-79.25	366.56	6.76	-72.49
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012707831	1	49	0.0	-75.01	359.83	6.67	-68.34
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012707832	0	49	0.0	-74.01	362.13	5.55	-68.46
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCC2)C1	REAL300012707832	1	49	0.0	-80.01	368.50	5.63	-74.38
C=CCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707833	0	49	0.0	-70.66	374.25	5.29	-65.37
C=CCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707833	1	49	0.0	-73.42	380.76	5.38	-68.04
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012707834	0	52	0.0	-81.79	383.64	7.31	-74.48
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012707834	1	52	0.0	-79.08	383.36	7.38	-71.70
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012707835	0	55	0.0	-76.02	383.42	8.30	-67.72
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012707835	1	55	0.0	-83.53	390.42	8.46	-75.07
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012707836	0	49	0.0	-70.92	365.01	5.30	-65.62
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012707836	1	49	0.0	-74.27	371.73	5.39	-68.88
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)C(C)C(=O)[O-])C1	REAL300012707837	0	48	0.0	-71.99	359.03	5.93	-66.06
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)C(C)C(=O)[O-])C1	REAL300012707837	1	48	0.0	-67.66	351.18	5.81	-61.85
CCCCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707838	0	54	0.0	-68.94	402.94	6.38	-62.56
CCCCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707838	1	54	0.0	-73.68	410.51	6.45	-67.23
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012707839	0	58	0.0	-61.87	447.14	10.45	-51.42
CC(C)C[N@H+]1CCOC(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012707839	1	58	0.0	-61.15	440.42	10.34	-50.81
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012707840	0	52	0.0	-78.95	383.66	7.32	-71.63
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012707840	1	52	0.0	-81.49	383.36	7.36	-74.13
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012707841	0	55	0.0	-60.24	396.25	8.23	-52.01
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012707841	1	55	0.0	-63.64	401.78	8.30	-55.34
COCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707842	0	49	0.0	-75.39	379.37	3.09	-72.30
COCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707842	1	49	0.0	-77.14	379.20	3.21	-73.93
CCCCCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707843	0	57	0.0	-68.91	424.44	7.16	-61.75
CCCCCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707843	1	57	0.0	-73.59	431.98	7.25	-66.34
CCC1CCC(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)(C(=O)[O-])CC1	REAL300012707844	0	61	0.0	-69.47	423.21	7.57	-61.90
CCC1CCC(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)(C(=O)[O-])CC1	REAL300012707844	1	61	0.0	-73.22	429.75	7.64	-65.58
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012707845	0	56	0.0	-60.52	410.57	6.57	-53.95
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012707845	1	56	0.0	-63.99	410.24	6.64	-57.35
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012707846	0	55	0.0	-76.47	387.71	7.89	-68.58
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C1	REAL300012707846	1	55	0.0	-80.14	394.40	7.98	-72.16
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C(C)C(=O)[O-])C2CC2)C1	REAL300012707847	0	52	0.0	-61.91	376.77	7.20	-54.71
CC(C)C[N@H+]1CCOC(CNC(=O)N(C(C)C(=O)[O-])C2CC2)C1	REAL300012707847	1	52	0.0	-65.87	383.68	7.26	-58.61
CCC(C(=O)[O-])N(C(=O)NCC1C[N@H+](CC(C)C)CCO1)C1CC1	REAL300012707848	0	55	0.0	-68.58	393.44	8.33	-60.25
CCC(C(=O)[O-])N(C(=O)NCC1C[N@@H+](CC(C)C)CCO1)C1CC1	REAL300012707848	1	55	0.0	-61.72	404.24	8.40	-53.32
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012707849	0	52	0.0	-77.83	416.06	7.37	-70.46
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012707849	1	52	0.0	-76.29	415.27	7.48	-68.81
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012707850	0	52	0.0	-80.62	407.73	7.03	-73.59
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012707850	1	52	0.0	-80.30	407.88	7.14	-73.16
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012707851	0	56	0.0	-65.24	412.14	9.25	-55.99
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012707851	1	56	0.0	-66.66	418.48	9.41	-57.25
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012707852	0	55	0.0	-74.31	434.44	8.21	-66.10
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012707852	1	55	0.0	-80.13	440.74	8.21	-71.92
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012707853	0	61	0.0	-69.42	441.07	8.10	-61.32
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012707853	1	61	0.0	-76.07	447.66	8.21	-67.86
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012707854	0	58	0.0	-60.94	432.57	10.33	-50.61
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012707854	1	58	0.0	-63.89	432.43	10.38	-53.51
CC1=CC=C(C(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])C=C1	REAL300012707855	0	55	0.0	-71.55	418.12	7.66	-63.89
CC1=CC=C(C(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])C=C1	REAL300012707855	1	55	0.0	-75.20	424.83	7.75	-67.45
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012707856	0	48	0.0	-63.75	375.89	5.54	-58.21
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012707856	1	48	0.0	-68.21	383.20	5.68	-62.53
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012707857	0	58	0.0	-72.94	442.67	9.23	-63.71
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012707857	1	58	0.0	-76.78	449.42	9.32	-67.46
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012707858	0	53	0.0	-69.79	388.18	6.71	-63.08
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012707858	1	53	0.0	-73.16	394.69	6.82	-66.34
COCC(C)(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707859	0	52	0.0	-73.36	383.14	4.48	-68.88
COCC(C)(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707859	1	52	0.0	-72.94	383.44	4.43	-68.51
CCOCC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707860	0	55	0.0	-68.78	403.77	6.24	-62.54
CCOCC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707860	1	55	0.0	-72.06	410.50	6.32	-65.74
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707861	0	54	0.0	-58.59	388.22	7.45	-51.14
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707861	1	54	0.0	-64.28	401.56	8.02	-56.26
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707862	0	61	0.0	-60.67	441.25	10.41	-50.26
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707862	1	61	0.0	-63.07	448.90	10.92	-52.15
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012707863	0	49	0.0	-71.43	359.71	6.92	-64.51
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012707863	1	49	0.0	-73.93	370.36	7.13	-66.80
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012707864	0	51	0.0	-60.88	405.56	7.81	-53.07
CC(C)C[N@H+]1CCOC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012707864	1	51	0.0	-64.01	405.04	7.88	-56.13
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012707865	0	50	0.0	-69.34	366.58	3.38	-65.96
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012707865	1	50	0.0	-73.10	373.13	3.42	-69.68
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012707866	0	58	0.0	-78.64	421.73	7.07	-71.57
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012707866	1	58	0.0	-75.46	423.32	7.32	-68.14
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012707867	0	59	0.0	-69.69	430.08	7.60	-62.09
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C1	REAL300012707867	1	59	0.0	-69.03	430.63	7.46	-61.57
CC(C)C[N@@H+]1CCOC(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012707868	0	59	0.0	-76.14	435.14	10.98	-65.16
CC(C)C[N@H+]1CCOC(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012707868	1	59	0.0	-83.34	442.80	10.92	-72.42
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012707869	0	53	0.0	-72.92	381.91	4.56	-68.36
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012707869	1	53	0.0	-78.37	388.44	4.64	-73.73
C=CCCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707870	0	52	0.0	-68.23	394.45	6.17	-62.06
C=CCCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707870	1	52	0.0	-73.01	401.58	6.30	-66.71
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CF)C(=O)[O-])C1	REAL300012707871	0	45	0.0	-60.94	342.88	3.79	-57.15
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CF)C(=O)[O-])C1	REAL300012707871	1	45	0.0	-63.64	349.30	3.90	-59.74
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C1	REAL300012707872	0	58	0.0	-56.46	428.78	10.52	-45.94
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C1	REAL300012707872	1	58	0.0	-54.43	433.78	10.76	-43.67
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)C(C)C(=O)[O-])C1	REAL300012707873	0	48	0.0	-71.99	359.03	5.93	-66.06
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)C(C)C(=O)[O-])C1	REAL300012707873	1	48	0.0	-67.66	351.18	5.81	-61.85
CCC(CC)(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707874	0	54	0.0	-74.91	388.81	6.13	-68.78
CCC(CC)(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707874	1	54	0.0	-74.18	388.00	6.19	-67.99
COC1=CC=C(C(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])C=C1	REAL300012707875	0	56	0.0	-77.11	433.43	6.32	-70.79
COC1=CC=C(C(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])C=C1	REAL300012707875	1	56	0.0	-76.82	433.14	6.29	-70.53
CCC(C)N(CC(=O)[O-])C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707876	0	54	0.0	-59.42	398.44	8.24	-51.18
CCC(C)N(CC(=O)[O-])C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707876	1	54	0.0	-63.70	396.24	8.06	-55.64
CCC(COC)(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707877	0	55	0.0	-75.22	399.79	5.41	-69.81
CCC(COC)(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707877	1	55	0.0	-80.88	406.57	5.48	-75.40
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])C1	REAL300012707878	0	58	0.0	-68.85	424.04	6.99	-61.86
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])C1	REAL300012707878	1	58	0.0	-72.08	430.74	7.09	-64.99
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012707879	0	55	0.0	-74.22	406.83	3.01	-71.21
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012707879	1	55	0.0	-77.87	413.53	3.15	-74.72
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012707880	0	52	0.0	-75.59	399.68	6.36	-69.23
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012707880	1	52	0.0	-73.26	399.36	6.42	-66.84
COCCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707881	0	52	0.0	-68.94	393.81	3.92	-65.02
COCCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707881	1	52	0.0	-73.41	400.94	4.04	-69.37
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707882	0	57	0.0	-71.23	416.08	8.19	-63.04
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707882	1	57	0.0	-70.55	416.84	8.40	-62.15
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012707883	0	48	0.0	-68.43	372.29	5.12	-63.31
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012707883	1	48	0.0	-69.07	377.89	5.50	-63.57
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707884	0	58	0.0	-84.39	418.40	9.27	-75.12
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707884	1	58	0.0	-82.48	418.59	9.02	-73.46
CCCN(C(=O)NCC1C[N@H+](CC(C)C)CCO1)C(C)C(=O)[O-]	REAL300012707885	0	54	0.0	-71.47	393.63	8.14	-63.33
CCCN(C(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(C)C(=O)[O-]	REAL300012707885	1	54	0.0	-59.64	397.61	8.36	-51.28
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012707886	0	58	0.0	-54.84	426.80	10.73	-44.11
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012707886	1	58	0.0	-59.37	436.42	10.56	-48.81
CCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012707887	0	58	0.0	-71.14	421.64	8.55	-62.59
CCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012707887	1	58	0.0	-78.17	428.34	8.64	-69.53
COC1CCCC(C(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])C1	REAL300012707888	0	62	0.0	-73.65	452.08	6.30	-67.35
COC1CCCC(C(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])C1	REAL300012707888	1	62	0.0	-74.50	450.61	6.25	-68.25
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012707889	0	48	0.0	-68.06	366.53	4.97	-63.09
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CCF)C(=O)[O-])C1	REAL300012707889	1	48	0.0	-72.39	374.10	5.05	-67.34
COC1(CC(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])CCC1	REAL300012707890	0	59	0.0	-71.08	430.06	6.33	-64.75
COC1(CC(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])CCC1	REAL300012707890	1	59	0.0	-77.47	439.22	6.17	-71.30
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012707891	0	56	0.0	-60.52	410.57	6.57	-53.95
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012707891	1	56	0.0	-63.99	410.24	6.64	-57.35
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012707892	0	58	0.0	-61.07	419.65	8.94	-52.13
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012707892	1	58	0.0	-64.06	419.16	9.01	-55.05
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300012707893	0	58	0.0	-72.07	404.09	7.42	-64.65
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300012707893	1	58	0.0	-79.39	410.82	7.51	-71.88
COC1=CC=CC(C(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])=C1	REAL300012707894	0	56	0.0	-77.88	433.43	6.22	-71.66
COC1=CC=CC(C(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])=C1	REAL300012707894	1	56	0.0	-77.53	432.95	6.35	-71.18
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012707895	0	51	0.0	-66.37	371.51	5.33	-61.04
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012707895	1	51	0.0	-65.85	371.78	5.27	-60.58
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012707896	0	53	0.0	-65.52	393.73	7.38	-58.14
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012707896	1	53	0.0	-67.09	401.29	7.60	-59.49
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012707897	0	49	0.0	-75.46	380.31	6.62	-68.84
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012707897	1	49	0.0	-73.46	379.97	6.69	-66.77
COC1=CC=CC([C@H](NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])=C1	REAL300012707898	0	56	0.0	-78.56	433.63	6.23	-72.33
COC1=CC=CC([C@H](NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])=C1	REAL300012707898	1	56	0.0	-78.92	432.52	6.30	-72.62
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1	REAL300012707899	0	48	0.0	-67.13	350.87	5.89	-61.24
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1	REAL300012707899	1	48	0.0	-72.23	357.58	5.99	-66.24
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2C[N@H+](CC(C)C)CCO2)C1	REAL300012707900	0	58	0.0	-75.24	425.73	8.56	-66.68
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2C[N@@H+](CC(C)C)CCO2)C1	REAL300012707900	1	58	0.0	-78.39	433.49	7.85	-70.54
COC1=CC=CC(CC(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])=C1	REAL300012707901	0	59	0.0	-71.60	448.64	7.14	-64.46
COC1=CC=CC(CC(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])=C1	REAL300012707901	1	59	0.0	-80.45	455.38	7.23	-73.22
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012707902	0	61	0.0	-72.34	417.97	7.90	-64.44
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012707902	1	61	0.0	-80.32	424.94	8.00	-72.32
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012707903	0	50	0.0	-76.92	364.65	7.38	-69.54
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012707903	1	50	0.0	-85.65	373.52	7.47	-78.18
COC1CN(C(=O)NCC2C[N@H+](CC(C)C)CCO2)C(C)(C(=O)[O-])C1	REAL300012707904	0	56	0.0	-74.08	410.12	6.26	-67.82
COC1CN(C(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(C)(C(=O)[O-])C1	REAL300012707904	1	56	0.0	-81.88	416.57	6.36	-75.52
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012707905	0	59	0.0	-68.26	427.12	6.36	-61.90
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012707905	1	59	0.0	-74.19	433.83	6.46	-67.73
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012707906	0	54	0.0	-74.86	398.59	5.97	-68.89
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012707906	1	54	0.0	-76.23	397.62	6.10	-70.13
C=C(Cl)CC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707907	0	49	0.0	-67.60	389.45	5.96	-61.64
C=C(Cl)CC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707907	1	49	0.0	-70.42	395.98	6.03	-64.39
C=C(C)CC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707908	0	52	0.0	-73.66	401.01	6.08	-67.58
C=C(C)CC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707908	1	52	0.0	-73.77	400.42	6.28	-67.49
CC(C)C[N@@H+]1CCOC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012707909	0	53	0.0	-87.55	388.36	8.23	-79.32
CC(C)C[N@H+]1CCOC(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012707909	1	53	0.0	-85.58	386.27	8.30	-77.28
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012707910	0	58	0.0	-68.00	428.68	8.10	-59.90
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012707910	1	58	0.0	-73.03	435.40	8.19	-64.84
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012707911	0	49	0.0	-68.30	372.55	6.91	-61.39
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012707911	1	49	0.0	-73.31	372.36	6.51	-66.80
CC(C)C[N@@H+]1CCOC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012707912	0	49	0.0	-79.53	365.59	6.49	-73.04
CC(C)C[N@H+]1CCOC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012707912	1	49	0.0	-73.48	367.13	6.44	-67.04
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@H+](CC(C)C)CCO2)C1	REAL300012707913	0	50	0.0	-82.04	373.32	6.47	-75.57
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@@H+](CC(C)C)CCO2)C1	REAL300012707913	1	50	0.0	-76.66	375.71	6.69	-69.97
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012707914	0	59	0.0	-74.98	439.25	5.67	-69.31
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012707914	1	59	0.0	-73.16	434.45	6.47	-66.69
CC(C)C[C@H](NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707915	0	54	0.0	-70.12	399.43	6.16	-63.96
CC(C)C[C@H](NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707915	1	54	0.0	-75.54	405.37	6.27	-69.27
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012707916	0	56	0.0	-74.46	405.49	4.63	-69.83
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012707916	1	56	0.0	-77.31	411.95	4.72	-72.59
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707917	0	52	0.0	-74.87	403.33	6.96	-67.91
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707917	1	52	0.0	-75.22	403.45	7.06	-68.16
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012707918	0	52	0.0	-75.59	399.68	6.36	-69.23
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012707918	1	52	0.0	-73.26	399.36	6.42	-66.84
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012707919	0	51	0.0	-68.61	405.76	4.99	-63.62
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012707919	1	51	0.0	-73.87	412.41	5.13	-68.74
CC(C)CCCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707920	0	60	0.0	-68.46	442.20	7.69	-60.77
CC(C)CCCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707920	1	60	0.0	-73.12	449.30	7.82	-65.30
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012707921	0	56	0.0	-74.36	421.42	5.79	-68.57
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012707921	1	56	0.0	-75.78	421.48	5.89	-69.89
CSCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707922	0	49	0.0	-72.26	391.47	5.29	-66.97
CSCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707922	1	49	0.0	-71.31	390.97	5.33	-65.98
COC[C@H](NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707923	0	49	0.0	-71.07	372.83	3.08	-67.99
COC[C@H](NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707923	1	49	0.0	-77.35	379.33	3.15	-74.20
CC[C@H](NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707924	0	48	0.0	-68.97	360.74	4.90	-64.07
CC[C@H](NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707924	1	48	0.0	-75.76	367.47	4.93	-70.83
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012707925	0	55	0.0	-74.95	432.40	8.00	-66.95
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012707925	1	55	0.0	-73.19	432.35	7.99	-65.20
CCC(C)CC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707926	0	57	0.0	-71.02	416.95	6.91	-64.11
CCC(C)CC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707926	1	57	0.0	-73.95	424.32	6.93	-67.02
C=CCCCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707927	0	55	0.0	-68.57	415.75	6.94	-61.63
C=CCCCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707927	1	55	0.0	-73.27	423.08	7.08	-66.19
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012707928	0	55	0.0	-72.48	431.75	7.95	-64.53
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012707928	1	55	0.0	-75.07	432.26	8.00	-67.07
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012707929	0	58	0.0	-75.68	437.69	9.05	-66.63
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012707929	1	58	0.0	-80.78	443.59	9.15	-71.63
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012707930	0	50	0.0	-75.15	370.88	8.01	-67.14
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012707930	1	50	0.0	-81.42	377.91	8.09	-73.33
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707931	0	55	0.0	-75.53	411.75	7.71	-67.82
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707931	1	55	0.0	-75.60	411.36	7.78	-67.82
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012707932	0	49	0.0	-82.28	367.31	6.47	-75.81
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012707932	1	49	0.0	-79.72	366.99	6.53	-73.19
CCCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707933	0	51	0.0	-70.54	382.28	5.60	-64.94
CCCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707933	1	51	0.0	-73.27	388.74	5.75	-67.52
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C1	REAL300012707934	0	51	0.0	-70.07	372.22	5.23	-64.84
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C1	REAL300012707934	1	51	0.0	-73.01	382.60	5.53	-67.48
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012707935	0	53	0.0	-87.33	381.02	7.98	-79.35
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012707935	1	53	0.0	-79.45	381.67	8.24	-71.21
CCN(C(=O)NCC1C[N@H+](CC(C)C)CCO1)C(C)(C)C(=O)[O-]	REAL300012707936	0	54	0.0	-78.85	392.47	7.63	-71.22
CCN(C(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(C)(C)C(=O)[O-]	REAL300012707936	1	54	0.0	-76.21	392.23	7.69	-68.52
CCCN(C(=O)NCC1C[N@H+](CC(C)C)CCO1)C(C)C(=O)[O-]	REAL300012707937	0	54	0.0	-71.47	393.63	8.14	-63.33
CCCN(C(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(C)C(=O)[O-]	REAL300012707937	1	54	0.0	-59.64	397.61	8.36	-51.28
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012707938	0	48	0.0	-69.95	365.95	6.93	-63.02
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012707938	1	48	0.0	-69.70	380.06	7.23	-62.47
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012707939	0	48	0.0	-69.95	365.95	6.93	-63.02
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012707939	1	48	0.0	-69.70	380.06	7.23	-62.47
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012707940	0	51	0.0	-78.82	373.03	6.75	-72.07
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300012707940	1	51	0.0	-71.75	366.23	6.66	-65.09
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012707941	0	49	0.0	-79.25	366.56	6.76	-72.49
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012707941	1	49	0.0	-75.01	359.83	6.67	-68.34
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012707942	0	61	0.0	-62.15	454.27	5.15	-57.00
CC(C)C[N@H+]1CCOC(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012707942	1	61	0.0	-62.31	448.56	4.98	-57.33
CC(C)C[N@@H+]1CCOC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012707943	0	50	0.0	-84.62	378.80	3.07	-81.55
CC(C)C[N@H+]1CCOC(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012707943	1	50	0.0	-84.47	371.41	2.64	-81.83
CC(C)CN1CCOC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012707944	1	65	0.0	-64.91	482.32	5.50	-59.41
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707945	0	56	0.0	-58.99	415.42	9.67	-49.32
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707945	1	56	0.0	-58.45	419.67	9.90	-48.55
CC(C)C[N@@H+]1CCOC(CNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C1	REAL300012707946	0	59	0.0	-64.38	430.96	10.02	-54.36
CC(C)C[N@H+]1CCOC(CNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])C1	REAL300012707946	1	59	0.0	-67.14	430.60	9.96	-57.18
CCC[C@@H](NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707947	0	51	0.0	-75.97	389.30	5.62	-70.35
CCC[C@@H](NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707947	1	51	0.0	-73.75	389.01	5.67	-68.08
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012707948	0	57	0.0	-70.44	416.73	8.04	-62.40
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012707948	1	57	0.0	-72.92	423.12	8.12	-64.80
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707949	0	52	0.0	-77.40	403.98	6.93	-70.47
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707949	1	52	0.0	-75.17	403.41	7.07	-68.10
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012707950	0	57	0.0	-71.80	436.82	6.90	-64.90
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012707950	1	57	0.0	-76.93	442.93	6.95	-69.98
C=CCCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707951	0	52	0.0	-68.23	394.45	6.17	-62.06
C=CCCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707951	1	52	0.0	-73.01	401.58	6.30	-66.71
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012707952	0	51	0.0	-78.88	412.74	4.94	-73.94
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012707952	1	51	0.0	-73.90	412.71	4.93	-68.97
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012707953	0	52	0.0	-82.41	389.74	4.32	-78.09
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012707953	1	52	0.0	-88.16	396.66	4.34	-83.82
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012707954	0	53	0.0	-69.32	387.63	5.98	-63.34
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C1	REAL300012707954	1	53	0.0	-75.19	394.43	6.11	-69.08
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012707955	0	52	0.0	-79.32	376.19	6.95	-72.37
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012707955	1	52	0.0	-74.56	376.91	7.24	-67.32
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C1	REAL300012707956	0	51	0.0	-70.03	373.47	5.13	-64.90
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C1	REAL300012707956	1	51	0.0	-74.51	381.69	5.45	-69.06
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707957	0	52	0.0	-70.25	396.50	6.93	-63.32
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012707957	1	52	0.0	-77.25	403.61	6.99	-70.26
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012707958	0	55	0.0	-72.13	406.33	6.23	-65.90
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012707958	1	55	0.0	-76.72	417.25	6.39	-70.33
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1	REAL300012707959	0	48	0.0	-67.13	350.87	5.89	-61.24
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1	REAL300012707959	1	48	0.0	-72.23	357.58	5.99	-66.24
CCC[C@H](NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707960	0	51	0.0	-69.78	382.28	5.60	-64.18
CCC[C@H](NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707960	1	51	0.0	-75.32	388.76	5.74	-69.58
CCN(C(=O)NCC1C[N@H+](CC(C)C)CCO1)C(C)C(=O)[O-]	REAL300012707961	0	51	0.0	-77.32	378.95	7.42	-69.90
CCN(C(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(C)C(=O)[O-]	REAL300012707961	1	51	0.0	-70.39	375.19	6.77	-63.62
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012707962	0	55	0.0	-60.24	396.25	8.23	-52.01
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012707962	1	55	0.0	-63.64	401.78	8.30	-55.34
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)CC(C)C(=O)[O-])C1	REAL300012707963	0	51	0.0	-73.57	372.35	6.54	-67.03
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)CC(C)C(=O)[O-])C1	REAL300012707963	1	51	0.0	-74.83	378.71	6.41	-68.42
CC[C@H](C)[C@H](NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707964	0	54	0.0	-73.38	397.38	5.80	-67.58
CC[C@H](C)[C@H](NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707964	1	54	0.0	-76.65	398.71	5.88	-70.77
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012707965	0	51	0.0	-67.61	371.40	6.83	-60.78
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012707965	1	51	0.0	-72.08	378.95	7.07	-65.01
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012707966	0	53	0.0	-76.86	392.64	2.73	-74.13
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012707966	1	53	0.0	-78.25	400.89	2.92	-75.33
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300012707967	0	61	0.0	-71.83	443.89	6.15	-65.68
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1	REAL300012707967	1	61	0.0	-78.43	450.98	6.22	-72.21
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)C1	REAL300012707968	0	55	0.0	-72.86	396.79	6.50	-66.36
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)C1	REAL300012707968	1	55	0.0	-79.09	403.66	6.57	-72.52
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012707969	0	58	0.0	-77.29	413.35	7.33	-69.96
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012707969	1	58	0.0	-72.45	406.60	7.23	-65.22
COCCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707970	0	52	0.0	-68.94	393.81	3.92	-65.02
COCCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707970	1	52	0.0	-73.41	400.94	4.04	-69.37
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012707971	0	58	0.0	-69.13	428.57	9.95	-59.18
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012707971	1	58	0.0	-72.82	434.99	9.97	-62.85
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012707972	0	55	0.0	-74.53	398.54	7.26	-67.27
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012707972	1	55	0.0	-80.39	405.05	7.35	-73.04
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012707973	0	52	0.0	-71.83	389.83	5.98	-65.85
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012707973	1	52	0.0	-77.40	393.81	5.88	-71.52
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300012707974	0	61	0.0	-72.58	444.60	6.10	-66.48
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1	REAL300012707974	1	61	0.0	-75.32	451.39	6.19	-69.13
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012707975	0	50	0.0	-88.24	377.25	3.28	-84.96
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012707975	1	50	0.0	-80.88	370.52	3.17	-77.71
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012707976	0	53	0.0	-67.06	394.17	4.06	-63.00
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012707976	1	53	0.0	-73.05	397.87	3.95	-69.10
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012707977	0	53	0.0	-85.49	381.29	7.54	-77.95
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012707977	1	53	0.0	-85.71	388.56	7.96	-77.75
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012707978	0	56	0.0	-77.69	429.27	6.98	-70.71
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012707978	1	56	0.0	-83.19	435.60	7.05	-76.14
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012707979	0	51	0.0	-74.90	374.01	5.58	-69.32
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012707979	1	51	0.0	-75.34	374.18	5.52	-69.82
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC(C)CCC2C(=O)[O-])C1	REAL300012707980	0	55	0.0	-76.92	387.29	8.83	-68.09
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC(C)CCC2C(=O)[O-])C1	REAL300012707980	1	55	0.0	-82.64	393.47	8.69	-73.95
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012707981	0	58	0.0	-70.51	436.13	8.26	-62.25
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C1	REAL300012707981	1	58	0.0	-73.74	441.11	8.33	-65.41
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012707982	0	59	0.0	-69.53	433.19	8.02	-61.51
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012707982	1	59	0.0	-73.22	435.41	8.78	-64.44
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012707983	0	52	0.0	-76.51	387.54	5.82	-70.69
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012707983	1	52	0.0	-76.72	394.26	5.96	-70.76
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012707984	0	65	0.0	-71.02	454.14	7.67	-63.35
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012707984	1	65	0.0	-75.79	460.85	7.78	-68.01
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012707985	0	58	0.0	-78.64	421.73	7.07	-71.57
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012707985	1	58	0.0	-75.46	423.32	7.32	-68.14
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012707986	0	52	0.0	-76.51	387.54	5.82	-70.69
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012707986	1	52	0.0	-76.72	394.26	5.96	-70.76
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(C)C2C(=O)[O-])C1	REAL300012707987	0	52	0.0	-74.36	374.19	7.20	-67.16
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(C)C2C(=O)[O-])C1	REAL300012707987	1	52	0.0	-82.97	387.55	7.12	-75.85
C=CCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707988	0	49	0.0	-70.66	374.25	5.29	-65.37
C=CCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012707988	1	49	0.0	-73.42	380.76	5.38	-68.04
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012707989	0	59	0.0	-70.82	433.22	6.56	-64.26
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012707989	1	59	0.0	-78.82	440.88	6.10	-72.72
CC(C)C[N@@H+]1CCOC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012707990	0	59	0.0	-60.00	413.77	8.59	-51.41
CC(C)C[N@H+]1CCOC(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012707990	1	59	0.0	-56.72	413.26	8.64	-48.08
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012707991	0	59	0.0	-72.16	410.87	5.83	-66.33
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012707991	1	59	0.0	-76.61	417.37	5.88	-70.73
CC1=CC=CC2=C1CCN(C(=O)NCC1C[N@H+](CC(C)C)CCO1)C2C(=O)[O-]	REAL300012707992	0	59	0.0	-66.16	435.16	9.90	-56.26
CC1=CC=CC2=C1CCN(C(=O)NCC1C[N@@H+](CC(C)C)CCO1)C2C(=O)[O-]	REAL300012707992	1	59	0.0	-66.97	435.38	9.96	-57.01
CC(C)C[N@@H+]1CCOC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012707993	0	53	0.0	-58.77	382.49	7.77	-51.00
CC(C)C[N@H+]1CCOC(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012707993	1	53	0.0	-58.95	383.48	7.64	-51.31
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012707994	0	59	0.0	-69.53	433.19	8.02	-61.51
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012707994	1	59	0.0	-73.22	435.41	8.78	-64.44
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012707995	0	55	0.0	-68.75	425.52	7.98	-60.77
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012707995	1	55	0.0	-78.00	431.45	8.01	-69.99
COC1CC(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)(C(=O)[O-])C1	REAL300012707996	0	53	0.0	-74.84	395.37	4.48	-70.36
COC1CC(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)(C(=O)[O-])C1	REAL300012707996	1	53	0.0	-74.08	400.10	4.50	-69.58
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012707997	0	49	0.0	-72.14	370.53	5.58	-66.56
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012707997	1	49	0.0	-71.18	370.65	5.49	-65.69
CO[C@H]1C[C@](NC(=O)NCC2C[N@H+](CC(C)C)CCO2)(C(=O)[O-])C1	REAL300012707998	0	53	0.0	-77.96	401.06	4.82	-73.14
CO[C@H]1C[C@](NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)(C(=O)[O-])C1	REAL300012707998	1	53	0.0	-76.17	393.21	4.01	-72.16
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012707999	0	52	0.0	-64.82	401.11	6.40	-58.42
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012707999	1	52	0.0	-71.19	410.31	6.28	-64.91
CCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012708000	0	55	0.0	-84.01	396.91	8.57	-75.44
CCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012708000	1	55	0.0	-81.65	399.62	8.65	-73.00
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012708001	0	48	0.0	-63.75	375.89	5.54	-58.21
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012708001	1	48	0.0	-68.21	383.20	5.68	-62.53
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012708002	0	56	0.0	-70.47	415.36	4.98	-65.49
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012708002	1	56	0.0	-75.85	421.47	4.96	-70.89
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012708003	0	47	0.0	-67.96	352.35	2.60	-65.36
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012708003	1	47	0.0	-71.81	358.91	2.81	-69.00
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012708004	0	52	0.0	-70.01	411.37	6.82	-63.19
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012708004	1	52	0.0	-73.30	418.09	6.90	-66.40
COCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012708005	0	59	0.0	-77.25	445.14	6.94	-70.31
COCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012708005	1	59	0.0	-76.45	444.42	6.97	-69.48
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C1	REAL300012708006	0	54	0.0	-68.91	381.64	5.87	-63.04
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C1	REAL300012708006	1	54	0.0	-69.38	381.96	5.81	-63.57
CC(C)C[N@@H+]1CCOC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012708007	0	50	0.0	-77.18	365.51	7.89	-69.29
CC(C)C[N@H+]1CCOC(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012708007	1	50	0.0	-84.13	373.59	8.02	-76.11
CC(C)C[N@@H+]1CCOC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012708008	0	53	0.0	-77.12	383.07	7.52	-69.60
CC(C)C[N@H+]1CCOC(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012708008	1	53	0.0	-81.66	389.68	7.44	-74.22
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012708009	0	58	0.0	-54.84	426.80	10.73	-44.11
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300012708009	1	58	0.0	-59.37	436.42	10.56	-48.81
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012708010	0	61	0.0	-69.42	441.07	8.10	-61.32
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012708010	1	61	0.0	-76.07	447.66	8.21	-67.86
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012708011	0	58	0.0	-70.73	442.18	8.61	-62.12
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012708011	1	58	0.0	-76.76	448.87	8.72	-68.04
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012708012	0	58	0.0	-76.57	448.97	8.71	-67.86
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012708012	1	58	0.0	-74.31	448.63	8.77	-65.54
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012708013	0	59	0.0	-71.97	421.63	7.50	-64.47
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012708013	1	59	0.0	-78.33	426.87	7.50	-70.83
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012708014	0	61	0.0	-77.02	448.08	8.06	-68.96
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012708014	1	61	0.0	-74.36	447.88	8.11	-66.25
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012708015	0	61	0.0	-73.56	447.30	8.07	-65.49
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012708015	1	61	0.0	-75.81	446.98	8.13	-67.68
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012708016	0	59	0.0	-58.47	421.46	8.72	-49.75
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012708016	1	59	0.0	-62.28	430.50	8.72	-53.56
CC(C)C[N@@H+]1CCOC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012708017	0	59	0.0	-77.30	419.30	8.64	-68.66
CC(C)C[N@H+]1CCOC(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012708017	1	59	0.0	-82.31	425.05	8.52	-73.79
COC1=CC=C(CC(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])C=C1	REAL300012708018	0	59	0.0	-70.18	448.40	7.21	-62.97
COC1=CC=C(CC(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])C=C1	REAL300012708018	1	59	0.0	-76.06	454.51	7.24	-68.82
C=CCSCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012708019	0	53	0.0	-68.49	418.95	6.64	-61.85
C=CCSCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012708019	1	53	0.0	-71.26	425.21	6.79	-64.47
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012708020	0	56	0.0	-76.38	447.04	8.27	-68.11
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012708020	1	56	0.0	-75.59	445.87	8.33	-67.26
CCC(C(=O)[O-])N(CC)C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012708021	0	54	0.0	-73.13	392.51	7.66	-65.47
CCC(C(=O)[O-])N(CC)C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012708021	1	54	0.0	-72.69	391.68	7.63	-65.06
COC1(C(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])CCC1	REAL300012708022	0	56	0.0	-73.31	408.16	5.77	-67.54
COC1(C(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])CCC1	REAL300012708022	1	56	0.0	-77.08	415.54	4.79	-72.29
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012708023	0	58	0.0	-71.78	416.06	7.14	-64.64
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012708023	1	58	0.0	-75.02	422.61	7.20	-67.82
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012708024	0	59	0.0	-71.94	428.47	8.97	-62.97
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012708024	1	59	0.0	-77.82	434.92	9.06	-68.76
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012708025	0	52	0.0	-76.75	393.68	6.39	-70.36
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012708025	1	52	0.0	-80.90	400.63	6.48	-74.42
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C1	REAL300012708027	0	61	0.0	-70.99	457.16	8.83	-62.16
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C1	REAL300012708027	1	61	0.0	-76.31	463.27	8.94	-67.37
CC(C)C[N@@H+]1CCOC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012708028	0	49	0.0	-79.53	365.59	6.49	-73.04
CC(C)C[N@H+]1CCOC(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012708028	1	49	0.0	-73.48	367.13	6.44	-67.04
CC(C)C[N@@H+]1CCOC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012708029	0	51	0.0	-58.41	374.99	7.58	-50.83
CC(C)C[N@H+]1CCOC(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012708029	1	51	0.0	-58.37	381.29	7.69	-50.68
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012708030	0	55	0.0	-78.27	397.20	7.29	-70.98
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012708030	1	55	0.0	-82.62	403.87	7.37	-75.25
CCOC1=CC=C(C(NC(=O)NCC2C[N@H+](CC(C)C)CCO2)C(=O)[O-])C=C1	REAL300012708031	0	59	0.0	-70.42	448.04	7.20	-63.22
CCOC1=CC=C(C(NC(=O)NCC2C[N@@H+](CC(C)C)CCO2)C(=O)[O-])C=C1	REAL300012708031	1	59	0.0	-75.05	455.01	7.22	-67.83
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012708032	0	59	0.0	-75.94	414.47	9.42	-66.52
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012708032	1	59	0.0	-84.02	422.08	9.69	-74.33
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012708033	0	59	0.0	-79.66	443.57	9.11	-70.55
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012708033	1	59	0.0	-77.82	444.53	9.02	-68.80
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012708034	0	59	0.0	-75.20	439.37	7.94	-67.26
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012708034	1	59	0.0	-74.70	439.65	7.88	-66.82
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012708035	0	55	0.0	-72.10	434.63	8.14	-63.96
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012708035	1	55	0.0	-73.32	434.15	8.18	-65.14
CC(C)CCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012708036	0	57	0.0	-69.05	420.51	6.89	-62.16
CC(C)CCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012708036	1	57	0.0	-73.32	427.83	7.04	-66.28
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012708037	0	56	0.0	-58.65	406.62	8.23	-50.42
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012708037	1	56	0.0	-58.84	414.08	8.29	-50.55
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012708038	0	56	0.0	-70.47	415.36	4.98	-65.49
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012708038	1	56	0.0	-75.85	421.47	4.96	-70.89
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@H+](CC(C)C)CCO2)C1	REAL300012708039	0	53	0.0	-77.67	409.64	7.95	-69.72
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@@H+](CC(C)C)CCO2)C1	REAL300012708039	1	53	0.0	-77.76	402.66	7.54	-70.22
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012708040	0	56	0.0	-73.40	396.26	7.70	-65.70
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012708040	1	56	0.0	-78.77	402.85	7.77	-71.00
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012708041	0	53	0.0	-80.32	391.72	6.63	-73.69
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012708041	1	53	0.0	-77.31	391.20	6.68	-70.63
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012708042	0	56	0.0	-80.84	417.62	7.44	-73.40
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012708042	1	56	0.0	-76.93	411.01	7.25	-69.68
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012708043	0	58	0.0	-70.88	428.29	9.87	-61.01
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012708043	1	58	0.0	-72.85	434.49	9.87	-62.98
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012708044	0	62	0.0	-57.29	436.60	9.16	-48.13
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012708044	1	62	0.0	-62.40	444.62	9.24	-53.16
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012708045	0	55	0.0	-77.77	404.21	6.39	-71.38
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012708045	1	55	0.0	-75.74	406.81	6.55	-69.19
CO[C@H](C)[C@H](NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012708046	0	52	0.0	-71.26	390.78	4.07	-67.19
CO[C@H](C)[C@H](NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012708046	1	52	0.0	-77.14	397.48	4.16	-72.98
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C1	REAL300012708047	0	52	0.0	-80.11	383.33	6.23	-73.88
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C1	REAL300012708047	1	52	0.0	-80.18	386.66	6.46	-73.72
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012708048	0	55	0.0	-61.13	424.73	9.67	-51.46
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012708048	1	55	0.0	-64.47	424.41	9.74	-54.73
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012708049	0	55	0.0	-59.21	400.50	7.53	-51.68
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012708049	1	55	0.0	-58.52	406.07	7.61	-50.91
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012708050	0	52	0.0	-73.74	381.64	7.88	-65.86
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012708050	1	52	0.0	-80.10	388.44	7.92	-72.18
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012708051	0	49	0.0	-79.77	373.63	6.47	-73.30
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012708051	1	49	0.0	-84.66	377.94	6.96	-77.70
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012708052	0	55	0.0	-68.75	425.52	7.98	-60.77
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012708052	1	55	0.0	-78.00	431.45	8.01	-69.99
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012708053	0	52	0.0	-70.75	410.06	6.82	-63.93
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012708053	1	52	0.0	-73.89	416.82	6.87	-67.02
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012708054	0	52	0.0	-68.56	388.68	7.40	-61.16
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012708054	1	52	0.0	-79.88	395.83	7.60	-72.28
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012708055	0	56	0.0	-73.36	423.92	7.60	-65.76
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012708055	1	56	0.0	-72.33	424.53	7.51	-64.82
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012708056	0	52	0.0	-70.75	410.06	6.82	-63.93
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012708056	1	52	0.0	-73.89	416.82	6.87	-67.02
CC(C)C[N@@H+]1CCOC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012708057	0	56	0.0	-77.50	398.48	8.09	-69.41
CC(C)C[N@H+]1CCOC(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012708057	1	56	0.0	-77.18	397.31	7.71	-69.47
COCCCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012708058	0	55	0.0	-68.14	415.31	4.69	-63.45
COCCCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012708058	1	55	0.0	-73.38	422.65	4.76	-68.62
CCCC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300012708059	0	54	0.0	-71.38	399.88	7.78	-63.60
CCCC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300012708059	1	54	0.0	-70.53	400.44	7.84	-62.69
CCOCC(NC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012708060	0	52	0.0	-72.98	394.69	4.06	-68.92
CCOCC(NC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300012708060	1	52	0.0	-75.35	401.05	4.18	-71.17
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012708061	0	57	0.0	-71.03	411.63	7.21	-63.82
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012708061	1	57	0.0	-74.26	418.35	7.30	-66.96
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012708062	0	56	0.0	-73.26	411.27	4.96	-68.30
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012708062	1	56	0.0	-78.70	418.57	5.52	-73.18
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012708063	0	56	0.0	-72.91	416.42	8.16	-64.75
CC(C)C[N@H+]1CCOC(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012708063	1	56	0.0	-77.39	422.99	8.30	-69.09
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012708064	0	53	0.0	-75.43	382.03	6.32	-69.11
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C1	REAL300012708064	1	53	0.0	-75.30	382.81	6.20	-69.10
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012708065	0	55	0.0	-73.30	401.48	7.41	-65.89
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012708065	1	55	0.0	-71.58	402.31	7.62	-63.96
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012708066	0	49	0.0	-70.01	381.01	5.35	-64.66
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012708066	1	49	0.0	-74.58	388.33	5.43	-69.15
CC(C)C[N@@H+]1CCOC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012708067	0	52	0.0	-61.45	399.57	7.80	-53.65
CC(C)C[N@H+]1CCOC(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012708067	1	52	0.0	-62.80	400.46	7.64	-55.16
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012708068	0	63	0.0	-75.19	433.05	8.24	-66.95
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012708068	1	63	0.0	-82.54	438.34	8.69	-73.85
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012708069	0	54	0.0	-70.84	431.08	6.47	-64.37
CC(C)C[N@H+]1CCOC(CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012708069	1	54	0.0	-74.20	437.55	6.64	-67.56
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1	REAL300012708070	0	48	0.0	-71.94	358.52	5.81	-66.13
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1	REAL300012708070	1	48	0.0	-70.02	358.03	5.88	-64.14
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@H+](CC(C)C)CCO2)C1	REAL300012708071	0	56	0.0	-71.45	413.84	6.78	-64.67
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@@H+](CC(C)C)CCO2)C1	REAL300012708071	1	56	0.0	-80.21	414.50	6.32	-73.89
CN(C)C1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012708568	0	58	0.0	-64.47	443.70	7.84	-56.63
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709213	0	50	0.0	-80.69	393.62	8.14	-72.55
C=CCOCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709214	0	49	0.0	-83.09	401.83	6.56	-76.53
C=CC(C)C(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709215	0	48	0.0	-79.72	386.75	7.92	-71.80
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300012709216	0	52	0.0	-83.53	399.08	6.63	-76.90
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300012709217	0	48	0.0	-75.97	404.05	8.96	-67.01
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300012709218	0	48	0.0	-75.66	413.34	9.44	-66.22
COC1CCN(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300012709219	0	52	0.0	-92.68	395.33	8.81	-83.87
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)C=C1	REAL300012709220	0	52	0.0	-79.71	399.68	6.60	-73.11
CC1CCN(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300012709221	0	51	0.0	-91.76	378.84	10.04	-81.72
CC1=CC(C(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=CC=C1F	REAL300012709222	0	51	0.0	-78.65	418.09	9.54	-69.11
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1	REAL300012709223	0	53	0.0	-82.06	426.63	8.72	-73.34
CC1=CC(C(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=CC(C)=C1	REAL300012709224	0	54	0.0	-83.45	433.87	10.25	-73.20
CC1=CC=C(C(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1C	REAL300012709225	0	54	0.0	-83.29	429.11	10.08	-73.21
CC1=CC=CC(C(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=C1C	REAL300012709226	0	54	0.0	-82.32	420.36	9.86	-72.46
COC1=CC=C(C(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1F	REAL300012709227	0	52	0.0	-79.52	426.41	8.25	-71.27
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709228	0	47	0.0	-68.23	374.64	9.35	-58.88
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C1CCC1	REAL300012709229	0	51	0.0	-68.31	386.97	9.64	-58.67
CCCN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(COC)C(=O)[O-]	REAL300012709230	0	54	0.0	-78.67	412.88	9.05	-69.62
CCCN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(CC)C(=O)[O-]	REAL300012709231	0	53	0.0	-85.98	408.09	11.28	-74.70
CC(C)C(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709232	0	47	0.0	-81.00	372.25	7.35	-73.65
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300012709233	0	48	0.0	-92.52	365.25	9.96	-82.56
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300012709234	0	48	0.0	-78.43	408.08	9.36	-69.07
C[NH+](C)CC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300012709235	0	46	0.0	-88.11	364.81	9.70	-78.41
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300012709236	0	51	0.0	-85.59	384.73	8.98	-76.61
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCC2C(=O)[O-])C=C1	REAL300012709237	0	45	0.0	-87.66	353.97	8.69	-78.97
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300012709238	0	48	0.0	-85.52	370.16	7.88	-77.64
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300012709239	0	54	0.0	-86.27	390.39	9.66	-76.61
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012709240	0	51	0.0	-82.50	413.64	9.80	-72.70
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012709241	0	51	0.0	-68.70	412.14	11.60	-57.10
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012709242	0	48	0.0	-82.67	391.33	8.84	-73.83
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012709243	0	48	0.0	-82.21	390.74	8.87	-73.34
CC(C)C(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709244	0	47	0.0	-81.00	372.25	7.35	-73.65
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012709245	0	51	0.0	-82.50	413.64	9.80	-72.70
CCC(C)C(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709246	0	50	0.0	-79.92	387.35	7.94	-71.98
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300012709247	0	48	0.0	-92.52	365.25	9.96	-82.56
CCCC(C)(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709248	0	50	0.0	-81.96	380.79	7.91	-74.05
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709249	0	47	0.0	-68.96	363.21	8.87	-60.09
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300012709250	0	45	0.0	-69.10	356.40	9.12	-59.98
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709251	0	45	0.0	-68.04	365.90	9.16	-58.88
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709252	0	50	0.0	-67.72	389.00	9.66	-58.06
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300012709253	0	52	0.0	-91.94	402.91	11.84	-80.10
C[NH+](C)CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300012709254	0	48	0.0	-83.53	368.79	7.89	-75.64
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C=C1	REAL300012709255	0	45	0.0	-80.33	382.77	8.01	-72.32
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300012709256	0	51	0.0	-85.59	384.73	8.98	-76.61
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C=C1	REAL300012709257	0	51	0.0	-65.97	428.82	12.12	-53.85
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709258	0	47	0.0	-68.96	363.21	8.87	-60.09
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709259	0	47	0.0	-68.23	374.64	9.35	-58.88
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300012709260	0	55	0.0	-84.54	442.72	9.85	-74.69
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709261	0	50	0.0	-80.70	384.79	7.71	-72.99
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300012709262	0	48	0.0	-85.52	370.16	7.88	-77.64
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1	REAL300012709263	0	51	0.0	-66.01	418.49	11.67	-54.34
CCC(C)(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709264	0	47	0.0	-81.62	359.35	7.15	-74.47
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=C1	REAL300012709265	0	52	0.0	-85.22	409.27	10.03	-75.19
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300012709266	0	48	0.0	-82.19	402.17	9.01	-73.18
C[NH+](C)CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012709267	0	51	0.0	-83.99	399.17	9.63	-74.36
CCCCCCC(C)(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709268	0	59	0.0	-82.29	445.29	10.23	-72.06
CN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012709269	0	54	0.0	-78.46	422.72	11.83	-66.63
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300012709270	0	48	0.0	-78.43	408.08	9.36	-69.07
C[NH+](C)CC1=CC=C(CNC(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300012709271	0	46	0.0	-88.34	356.41	7.29	-81.05
CN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C1(C(=O)[O-])CCCCC1	REAL300012709272	0	54	0.0	-86.92	393.93	10.30	-76.62
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300012709273	0	45	0.0	-80.28	362.13	7.26	-73.02
C[NH+](C)CC1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300012709274	0	54	0.0	-69.32	434.55	12.38	-56.94
CN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012709275	0	51	0.0	-87.20	399.95	10.82	-76.38
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709276	0	48	0.0	-68.79	384.51	7.78	-61.01
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C=C1	REAL300012709277	0	52	0.0	-89.34	406.21	9.96	-79.38
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300012709278	0	45	0.0	-88.06	354.68	8.38	-79.68
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300012709279	0	48	0.0	-91.42	364.78	9.71	-81.71
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300012709280	0	45	0.0	-87.67	353.90	8.69	-78.98
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300012709281	0	45	0.0	-86.51	356.34	7.49	-79.02
C=CCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709282	0	45	0.0	-79.80	368.25	7.29	-72.51
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300012709283	0	48	0.0	-87.62	371.05	9.24	-78.38
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300012709284	0	55	0.0	-88.91	447.24	9.79	-79.12
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCCCC2C(=O)[O-])C=C1	REAL300012709285	0	51	0.0	-91.28	378.07	10.34	-80.94
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300012709286	0	45	0.0	-80.28	362.13	7.26	-73.02
CCCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709287	0	50	0.0	-80.07	397.91	8.38	-71.69
C[NH+](C)CC1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300012709288	0	54	0.0	-69.32	434.55	12.38	-56.94
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300012709289	0	48	0.0	-87.64	371.06	9.22	-78.42
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300012709290	0	51	0.0	-67.64	389.43	10.17	-57.47
COCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709291	0	45	0.0	-82.09	367.07	5.01	-77.08
CCCCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709292	0	53	0.0	-80.38	419.65	9.11	-71.27
CCC1CCC(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)(C(=O)[O-])CC1	REAL300012709293	0	57	0.0	-85.46	423.80	10.23	-75.23
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C=C1	REAL300012709294	0	52	0.0	-68.20	397.92	8.50	-59.70
CN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C1(C(=O)[O-])CCCC1	REAL300012709295	0	51	0.0	-88.15	380.61	9.59	-78.56
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C1CC1	REAL300012709296	0	48	0.0	-68.74	371.55	9.29	-59.45
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C1CC1	REAL300012709297	0	51	0.0	-66.67	392.17	10.28	-56.39
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300012709298	0	48	0.0	-83.89	402.06	9.32	-74.57
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300012709299	0	48	0.0	-87.60	395.48	9.00	-78.60
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300012709300	0	52	0.0	-70.79	406.29	11.28	-59.51
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300012709301	0	51	0.0	-85.54	428.36	10.03	-75.51
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300012709302	0	57	0.0	-81.37	435.48	9.97	-71.40
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709303	0	54	0.0	-68.56	419.77	11.68	-56.88
CC1=CC=C(C(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300012709304	0	51	0.0	-82.75	412.74	9.53	-73.22
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012709305	0	44	0.0	-74.95	371.14	7.47	-67.48
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1	REAL300012709306	0	54	0.0	-84.04	437.07	11.19	-72.85
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300012709307	0	49	0.0	-81.17	382.36	8.68	-72.49
COCC(C)(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709308	0	48	0.0	-85.64	377.59	6.44	-79.20
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709309	0	51	0.0	-77.22	398.20	8.19	-69.03
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709310	0	50	0.0	-67.72	389.00	9.66	-58.06
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709311	0	57	0.0	-65.75	440.21	12.93	-52.82
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300012709312	0	45	0.0	-69.10	356.40	9.12	-59.98
C[NH+](C)CC1=CC=C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300012709313	0	47	0.0	-67.27	392.77	9.73	-57.54
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300012709314	0	46	0.0	-80.97	360.80	5.28	-75.69
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1	REAL300012709315	0	54	0.0	-82.35	408.27	9.06	-73.29
CN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(COC1CCC1)C(=O)[O-]	REAL300012709316	0	55	0.0	-77.92	423.90	9.56	-68.36
C[NH+](C)CC1=CC=C(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C=C1	REAL300012709317	0	55	0.0	-93.60	429.34	12.92	-80.68
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300012709318	0	49	0.0	-84.12	376.10	6.49	-77.63
C=CCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709319	0	48	0.0	-80.18	389.47	8.11	-72.07
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709320	0	54	0.0	-65.26	421.46	12.61	-52.65
CCC(CC)(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709321	0	50	0.0	-82.93	375.73	8.04	-74.89
COC1=CC=C(C(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300012709322	0	52	0.0	-82.08	420.84	8.14	-73.94
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709323	0	50	0.0	-66.77	386.40	10.03	-56.74
CCC(COC)(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709324	0	51	0.0	-87.08	393.98	7.35	-79.73
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709325	0	54	0.0	-77.76	418.48	8.94	-68.82
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C=C1	REAL300012709326	0	51	0.0	-85.30	401.21	4.98	-80.32
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300012709327	0	48	0.0	-80.30	387.04	8.28	-72.02
COCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709328	0	48	0.0	-79.99	388.59	5.90	-74.09
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709329	0	53	0.0	-77.21	405.94	10.33	-66.88
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300012709330	0	44	0.0	-75.49	365.59	7.36	-68.13
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709331	0	54	0.0	-90.38	405.81	11.20	-79.18
CCCN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300012709332	0	50	0.0	-76.41	384.82	9.42	-66.99
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709333	0	54	0.0	-65.49	422.84	12.71	-52.78
CCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012709334	0	54	0.0	-84.94	416.09	10.53	-74.41
COC1CCCC(C(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C1	REAL300012709335	0	58	0.0	-86.67	441.41	7.98	-78.69
C[NH+](C)CC1=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C1	REAL300012709336	0	44	0.0	-78.31	361.51	6.98	-71.33
COC1(CC(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])CCC1	REAL300012709337	0	55	0.0	-82.04	424.95	8.21	-73.83
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C=C1	REAL300012709338	0	52	0.0	-68.20	397.92	8.50	-59.70
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)C=C1	REAL300012709339	0	54	0.0	-68.15	406.87	10.87	-57.28
C[C@H]1CC[C@@](NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)(C(=O)[O-])CC1	REAL300012709340	0	54	0.0	-85.84	398.48	9.37	-76.47
COC1=CC=CC(C(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300012709341	0	52	0.0	-84.90	420.89	8.14	-76.76
C[NH+](C)CC1=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300012709342	0	47	0.0	-78.17	365.94	7.29	-70.88
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=C1	REAL300012709343	0	49	0.0	-71.71	388.07	9.33	-62.38
C[NH+](C)CC1=CC=C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C=C1	REAL300012709344	0	45	0.0	-80.82	369.05	8.44	-72.38
COC1=CC=CC([C@H](NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300012709345	0	52	0.0	-84.95	420.81	8.13	-76.82
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C1	REAL300012709346	0	54	0.0	-89.88	420.00	10.57	-79.31
COC1=CC=CC(CC(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300012709347	0	55	0.0	-85.35	442.79	9.15	-76.20
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=C1	REAL300012709348	0	57	0.0	-86.87	412.59	9.86	-77.01
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300012709349	0	46	0.0	-93.38	361.21	9.32	-84.06
COC1CN(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(C)(C(=O)[O-])C1	REAL300012709350	0	52	0.0	-87.50	404.37	8.21	-79.29
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C=C1	REAL300012709351	0	55	0.0	-80.59	426.30	7.67	-72.92
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300012709352	0	50	0.0	-81.91	385.94	7.89	-74.02
C=C(Cl)CC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709353	0	45	0.0	-76.64	383.44	7.96	-68.68
C=C(C)CC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709354	0	48	0.0	-80.60	386.49	8.15	-72.45
C[NH+](C)CC1=CC=C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300012709355	0	49	0.0	-95.97	376.50	10.10	-85.87
C[NH+](C)CC1=CC=C(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012709356	0	54	0.0	-81.54	423.12	10.05	-71.49
C[NH+](C)CC1=CC=C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300012709357	0	45	0.0	-79.87	366.87	8.88	-70.99
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300012709358	0	45	0.0	-84.47	360.38	8.78	-75.69
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C1	REAL300012709359	0	46	0.0	-87.88	368.10	8.79	-79.09
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300012709360	0	55	0.0	-81.38	425.84	7.60	-73.78
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709361	0	50	0.0	-80.69	393.62	8.14	-72.55
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300012709362	0	52	0.0	-83.53	399.08	6.63	-76.90
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012709363	0	48	0.0	-82.21	390.74	8.87	-73.34
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300012709364	0	48	0.0	-80.30	387.04	8.28	-72.02
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C=C1	REAL300012709365	0	47	0.0	-79.42	400.12	6.95	-72.47
CC(C)CCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709366	0	56	0.0	-80.44	437.27	9.61	-70.83
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C=C1	REAL300012709367	0	54	0.0	-81.38	443.45	10.19	-71.19
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])C=C1	REAL300012709368	0	52	0.0	-85.44	411.35	7.15	-78.29
CSCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709369	0	45	0.0	-78.26	378.61	7.19	-71.07
COC[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709370	0	45	0.0	-81.77	366.53	5.00	-76.77
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012709371	0	51	0.0	-79.88	419.99	9.86	-70.02
CCC(C)CC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709372	0	53	0.0	-81.03	412.03	8.80	-72.23
C=CCCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709373	0	51	0.0	-80.41	411.02	8.89	-71.52
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300012709374	0	51	0.0	-79.90	419.92	9.86	-70.04
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1	REAL300012709375	0	54	0.0	-86.32	431.10	11.03	-75.29
C[NH+](C)CC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300012709376	0	46	0.0	-88.11	364.81	9.70	-78.41
C[NH+](C)CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012709377	0	51	0.0	-83.99	399.17	9.63	-74.36
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300012709378	0	45	0.0	-88.06	354.68	8.38	-79.68
CCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709379	0	47	0.0	-80.18	376.47	7.60	-72.58
CC(C)[C@@H](NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709380	0	47	0.0	-81.00	372.19	7.35	-73.65
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=C1	REAL300012709381	0	49	0.0	-94.22	375.23	10.26	-83.96
CCN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(C)(C)C(=O)[O-]	REAL300012709382	0	50	0.0	-85.29	379.93	9.55	-75.74
CCCN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300012709383	0	50	0.0	-76.41	384.82	9.42	-66.99
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=C1	REAL300012709384	0	44	0.0	-75.11	367.76	9.10	-66.01
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=C1	REAL300012709385	0	44	0.0	-75.11	367.76	9.10	-66.01
CN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(C)(C)C(=O)[O-]	REAL300012709386	0	47	0.0	-85.06	360.29	8.69	-76.37
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300012709387	0	45	0.0	-87.67	353.90	8.69	-78.98
C[NH+](C)CC1=CC=C(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C=C1	REAL300012709388	0	57	0.0	-68.73	441.48	7.07	-61.66
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C=C1	REAL300012709389	0	46	0.0	-89.39	365.93	5.00	-84.39
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)CC1	REAL300012709390	1	61	0.0	-68.58	461.41	6.72	-61.86
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709391	0	52	0.0	-68.05	408.18	11.73	-56.32
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)[C@H]1C(=O)[O-]	REAL300012709392	0	55	0.0	-70.77	418.34	11.94	-58.83
CCC[C@@H](NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709393	0	47	0.0	-80.18	376.47	7.60	-72.58
C[NH+](C)CC1=CC=C(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300012709394	0	53	0.0	-78.51	411.12	10.01	-68.50
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012709395	0	48	0.0	-82.67	391.33	8.84	-73.83
C[NH+](C)CC1=CC=C(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300012709396	0	53	0.0	-81.88	431.44	8.79	-73.09
C=CCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709397	0	48	0.0	-80.18	389.47	8.11	-72.07
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300012709398	0	47	0.0	-83.27	399.92	6.85	-76.42
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300012709399	0	48	0.0	-76.39	419.62	8.61	-67.78
C[NH+](C)CC1=CC=C(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C=C1	REAL300012709400	0	48	0.0	-95.71	384.41	6.25	-89.46
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)CC1=O	REAL300012709401	0	49	0.0	-82.15	381.95	7.97	-74.18
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300012709402	0	48	0.0	-87.66	371.02	9.24	-78.42
CC(C)[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709403	0	47	0.0	-80.01	366.33	7.08	-72.93
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012709404	0	48	0.0	-82.63	391.34	8.84	-73.79
C[NH+](C)CC1=CC=C(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300012709405	0	51	0.0	-85.03	400.77	8.18	-76.85
CCC[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709406	0	47	0.0	-80.48	376.66	7.55	-72.93
CCN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300012709407	0	47	0.0	-82.95	366.12	9.32	-73.63
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300012709408	0	51	0.0	-67.64	389.43	10.17	-57.47
CC(CN(C)C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709409	0	47	0.0	-78.30	366.38	8.28	-70.02
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709410	0	50	0.0	-80.70	384.79	7.71	-72.99
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709411	0	47	0.0	-75.55	366.11	8.82	-66.73
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C=C1	REAL300012709412	0	49	0.0	-86.88	388.60	4.78	-82.10
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709413	0	57	0.0	-83.61	438.63	8.09	-75.52
CC1CCC(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300012709414	0	51	0.0	-85.87	391.23	8.51	-77.36
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C=C1	REAL300012709415	0	54	0.0	-86.61	400.69	9.25	-77.36
COCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709416	0	48	0.0	-79.99	388.59	5.90	-74.09
CN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012709417	0	54	0.0	-78.46	422.72	11.83	-66.63
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300012709418	0	51	0.0	-87.31	392.48	9.19	-78.12
CC1CCC(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012709419	0	58	0.0	-88.86	440.10	11.22	-77.64
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300012709420	0	48	0.0	-82.48	376.67	8.12	-74.36
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709421	0	57	0.0	-82.83	439.04	8.06	-74.77
C[NH+](C)CC1=CC=C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C=C1	REAL300012709422	0	46	0.0	-94.59	365.91	5.15	-89.44
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300012709423	0	56	0.0	-72.06	433.50	12.41	-59.65
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOC2)C=C1	REAL300012709424	0	49	0.0	-80.74	381.92	5.81	-74.93
C[NH+](C)CC1=CC=C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1	REAL300012709425	0	49	0.0	-93.57	376.08	9.82	-83.75
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300012709426	0	52	0.0	-89.91	423.51	8.92	-80.99
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1	REAL300012709427	0	47	0.0	-88.79	368.54	7.52	-81.27
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C1	REAL300012709428	0	51	0.0	-92.03	386.14	10.55	-81.48
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709429	0	54	0.0	-81.69	430.31	10.20	-71.49
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300012709430	0	55	0.0	-80.43	423.37	10.60	-69.83
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300012709431	0	48	0.0	-81.78	375.29	7.66	-74.12
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C=C1	REAL300012709432	0	61	0.0	-84.38	448.59	9.62	-74.76
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1	REAL300012709433	0	54	0.0	-82.35	408.27	9.06	-73.29
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300012709434	0	48	0.0	-81.78	375.29	7.66	-74.12
CC1CCN(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C1C(=O)[O-]	REAL300012709435	0	48	0.0	-89.15	375.27	9.00	-80.15
C=CCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709436	0	45	0.0	-79.80	368.25	7.29	-72.51
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300012709437	0	55	0.0	-84.46	429.42	7.95	-76.51
C[NH+](C)CC1=CC=C(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=C1	REAL300012709438	0	55	0.0	-66.13	401.00	10.52	-55.61
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C=C1	REAL300012709439	0	55	0.0	-84.98	405.19	7.79	-77.19
CC1=CC=CC2=C1CCN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C2C(=O)[O-]	REAL300012709440	0	55	0.0	-97.26	419.27	12.32	-84.94
C[NH+](C)CC1=CC=C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=C1	REAL300012709441	0	49	0.0	-68.29	376.75	9.71	-58.58
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300012709442	0	55	0.0	-80.43	423.37	10.60	-69.83
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300012709443	0	51	0.0	-83.20	419.81	9.92	-73.28
COC1CC(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300012709444	0	49	0.0	-88.44	389.65	6.45	-81.99
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300012709445	0	45	0.0	-83.90	364.71	7.52	-76.38
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300012709446	0	49	0.0	-84.96	388.24	6.75	-78.21
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C=C1	REAL300012709447	0	48	0.0	-79.13	396.39	8.26	-70.87
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709448	0	51	0.0	-90.02	384.30	10.46	-79.56
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012709449	0	44	0.0	-74.95	371.14	7.47	-67.48
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300012709450	0	52	0.0	-79.70	406.84	6.51	-73.19
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])COC2)C=C1	REAL300012709451	0	43	0.0	-79.75	347.11	4.53	-75.22
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C=C1	REAL300012709452	0	48	0.0	-81.83	405.46	8.85	-72.98
COCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012709453	0	55	0.0	-83.48	432.35	8.85	-74.63
CC(C)C(C)(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709454	0	50	0.0	-82.72	376.03	7.84	-74.88
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012709455	0	46	0.0	-92.36	361.59	9.85	-82.51
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012709456	0	49	0.0	-89.64	377.54	9.48	-80.16
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709457	0	54	0.0	-65.49	422.84	12.71	-52.78
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300012709458	0	57	0.0	-81.37	435.48	9.97	-71.40
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012709459	0	54	0.0	-81.02	435.72	10.57	-70.45
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012709460	0	54	0.0	-81.48	436.56	10.56	-70.92
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300012709461	0	55	0.0	-82.27	415.66	9.44	-72.83
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300012709462	0	57	0.0	-81.37	435.49	9.98	-71.39
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300012709463	0	57	0.0	-81.14	435.24	10.04	-71.10
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=C1	REAL300012709464	0	55	0.0	-67.73	416.61	10.60	-57.13
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012709465	0	55	0.0	-90.54	412.92	10.37	-80.17
COC1=CC=C(CC(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300012709466	0	55	0.0	-83.23	443.09	9.09	-74.14
C=CCSCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709467	0	49	0.0	-78.24	412.94	8.65	-69.59
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C=C1	REAL300012709468	0	52	0.0	-80.60	434.36	10.18	-70.42
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709469	0	50	0.0	-76.33	379.87	9.59	-66.74
COC1(C(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])CCC1	REAL300012709470	0	52	0.0	-78.08	402.75	6.45	-71.63
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C=C1	REAL300012709471	0	54	0.0	-83.06	416.35	9.77	-73.29
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C=C1	REAL300012709472	0	55	0.0	-86.88	422.63	10.91	-75.97
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C=C1	REAL300012709473	0	48	0.0	-81.63	386.45	8.22	-73.41
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300012709475	0	60	0.0	-82.28	467.54	11.17	-71.11
CC(C)C1=CC=C(C(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300012709476	0	57	0.0	-81.88	450.92	10.80	-71.08
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300012709477	0	45	0.0	-84.47	360.38	8.78	-75.69
C[NH+](C)CC1=CC=C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1	REAL300012709478	0	47	0.0	-67.66	370.00	9.50	-58.16
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1	REAL300012709479	0	51	0.0	-89.04	386.30	9.64	-79.40
CCOC1=CC=C(C(NC(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300012709480	0	55	0.0	-81.90	442.64	9.06	-72.84
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C=C1	REAL300012709481	0	55	0.0	-91.65	410.45	11.36	-80.29
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300012709482	0	55	0.0	-82.67	433.37	10.72	-71.95
C[NH+](C)CC1=CC=C(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012709483	0	55	0.0	-87.62	433.75	9.90	-77.72
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C=C1	REAL300012709484	0	51	0.0	-84.47	427.55	9.77	-74.70
CC(C)CCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709485	0	53	0.0	-80.28	415.53	8.90	-71.38
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1	REAL300012709486	0	52	0.0	-67.92	401.61	10.13	-57.79
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300012709487	0	52	0.0	-79.70	406.84	6.51	-73.19
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C1	REAL300012709488	0	49	0.0	-85.61	398.17	9.65	-75.96
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012709489	0	52	0.0	-87.60	390.53	9.62	-77.98
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C=C1	REAL300012709490	0	49	0.0	-87.16	377.65	8.72	-78.44
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300012709491	0	52	0.0	-85.93	398.96	9.11	-76.82
CN(C(=O)NCC1=CC=C(C[NH+](C)C)C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012709492	0	54	0.0	-78.43	422.66	11.83	-66.60
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C=C1	REAL300012709493	0	58	0.0	-67.49	429.85	11.16	-56.33
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCC2)C=C1	REAL300012709494	0	51	0.0	-81.70	391.37	8.36	-73.34
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709495	0	48	0.0	-81.90	385.16	6.02	-75.88
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709496	0	48	0.0	-88.69	378.17	8.51	-80.18
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012709497	0	51	0.0	-68.70	412.14	11.60	-57.10
C[NH+](C)CC1=CC=C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C=C1	REAL300012709498	0	51	0.0	-67.66	393.73	9.49	-58.17
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C=C1	REAL300012709499	0	48	0.0	-87.61	376.09	9.80	-77.81
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1	REAL300012709500	0	45	0.0	-89.59	365.65	8.82	-80.77
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300012709501	0	51	0.0	-83.20	419.81	9.92	-73.28
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012709502	0	48	0.0	-80.43	404.25	8.78	-71.65
C[NH+](C)CC1=CC=C(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=C1	REAL300012709503	0	48	0.0	-79.47	383.16	9.36	-70.11
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C=C1	REAL300012709504	0	52	0.0	-86.10	418.39	9.52	-76.58
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300012709505	0	56	0.0	-86.17	442.17	11.16	-75.01
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012709506	0	48	0.0	-80.43	404.25	8.78	-71.65
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012709507	0	52	0.0	-90.38	392.85	9.85	-80.53
COCCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709508	0	51	0.0	-80.11	410.33	6.62	-73.49
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300012709509	0	50	0.0	-75.76	387.67	9.59	-66.17
CCOCC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300012709510	0	48	0.0	-82.39	388.73	6.04	-76.35
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300012709511	0	53	0.0	-81.16	406.06	9.16	-72.00
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCO2)C=C1	REAL300012709512	0	52	0.0	-84.36	405.70	6.91	-77.45
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=C1	REAL300012709513	0	52	0.0	-85.22	409.27	10.03	-75.19
C[C@H]1OCCN(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)[C@@H]1C(=O)[O-]	REAL300012709514	0	49	0.0	-88.59	375.92	8.00	-80.59
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C=C1	REAL300012709515	0	51	0.0	-80.10	396.72	9.67	-70.43
C[NH+](C)CC1=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300012709516	0	45	0.0	-80.12	375.82	7.34	-72.78
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C=C1	REAL300012709517	0	62	0.0	-84.71	446.09	10.88	-73.83
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300012709518	0	54	0.0	-85.56	443.55	10.04	-75.52
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C=C1	REAL300012709519	0	48	0.0	-69.56	393.75	9.74	-59.82
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C=C1	REAL300012709520	0	59	0.0	-91.24	426.85	10.56	-80.68
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=C1	REAL300012709521	0	50	0.0	-77.65	425.32	8.41	-69.24
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C1	REAL300012709522	0	52	0.0	-84.32	409.33	8.53	-75.79
CC1=CC=C(CCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)=C1	REAL300012709701	0	62	0.0	-63.93	470.94	10.10	-53.83
C=CCOCC(NC(=O)NCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300012709834	0	49	0.0	-74.61	384.13	5.58	-69.03
O=C([O-])C(NC(=O)NCCC[NH+]1CCCCC1)C1CCOCC1	REAL300012709835	0	52	0.0	-76.90	382.01	5.57	-71.33
O=C([O-])C(NC(=O)NCCC[NH+]1CCCCC1)C1=CC=C(F)C(F)=C1	REAL300012709836	0	48	0.0	-68.35	385.76	8.00	-60.35
O=C([O-])C(NC(=O)NCCC[NH+]1CCCCC1)C1=CC=C(Cl)C(F)=C1	REAL300012709837	0	48	0.0	-68.90	396.24	8.43	-60.47
COC1CCN(C(=O)NCCC[NH+]2CCCCC2)C(C(=O)[O-])C1	REAL300012709838	0	52	0.0	-83.13	377.69	7.81	-75.32
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COCCCC(NC(=O)NCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300012710067	0	51	0.0	-72.61	392.69	5.62	-66.99
CCOCC(NC(=O)NCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300012710068	0	48	0.0	-74.42	370.74	4.98	-69.44
CC(C)(C)CC(NC(=O)NCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300012710069	0	53	0.0	-73.37	388.11	8.24	-65.13
O=C([O-])C(NC(=O)NCCC[NH+]1CCCCC1)C1CCCCO1	REAL300012710070	0	52	0.0	-75.67	388.28	6.33	-69.34
O=C([O-])C(NC(=O)NCCC[NH+]1CCCCC1)C1=CC=CC(Br)=C1	REAL300012710071	0	48	0.0	-72.79	394.35	8.50	-64.29
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCCC2)CC2=CC=CC=C2C1	REAL300012710072	0	52	0.0	-75.66	392.09	9.07	-66.59
C[C@H]1OCCN(C(=O)NCCC[NH+]2CCCCC2)[C@@H]1C(=O)[O-]	REAL300012710073	0	49	0.0	-79.46	358.75	6.97	-72.49
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCCC[NH+]1CCCCC1	REAL300012710074	0	51	0.0	-72.84	379.23	8.70	-64.14
O=C([O-])C(NC(=O)NCCC[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2	REAL300012710075	0	62	0.0	-76.46	428.46	9.89	-66.57
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCCC[NH+]1CCCCC1	REAL300012710076	0	54	0.0	-77.44	425.61	9.10	-68.34
O=C([O-])CN(CC1=CC=CO1)C(=O)NCCC[NH+]1CCCCC1	REAL300012710077	0	48	0.0	-60.27	376.11	8.74	-51.53
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCCC[NH+]1CCCCC1	REAL300012710078	0	59	0.0	-82.13	409.24	9.56	-72.57
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCCC[NH+]1CCCCC1	REAL300012710079	0	50	0.0	-69.77	407.49	7.48	-62.29
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CCCCC2)C1	REAL300012710080	0	52	0.0	-80.02	392.57	7.40	-72.62
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1CCOCC1	REAL300012710081	0	49	0.0	-75.98	366.22	4.97	-71.01
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=C(F)C(F)=C1	REAL300012710082	0	45	0.0	-69.14	371.14	7.31	-61.83
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=C(Cl)C(F)=C1	REAL300012710083	0	45	0.0	-68.41	380.42	7.78	-60.63
COC1CCN(C(=O)NCCC[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012710084	0	49	0.0	-83.23	362.48	7.12	-76.11
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1CCCOC1	REAL300012710085	0	49	0.0	-72.45	366.77	4.93	-67.52
CC1=CC(C(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])=CC=C1F	REAL300012710086	0	48	0.0	-71.12	384.94	7.96	-63.16
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=C2OCCC2=C1	REAL300012710087	0	50	0.0	-74.28	394.37	7.02	-67.26
CC1=CC(C(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])=CC(C)=C1	REAL300012710088	0	51	0.0	-75.10	401.06	8.59	-66.51
CC1=CC=C(C(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])C=C1C	REAL300012710089	0	51	0.0	-75.69	396.85	8.39	-67.30
COC1=CC=C(C(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])C=C1Cl	REAL300012710090	0	49	0.0	-72.28	403.96	7.05	-65.23
CC1=CC=CC(C(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])=C1C	REAL300012710091	0	51	0.0	-74.13	387.50	8.20	-65.93
COC1=CC=C(C(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])C=C1F	REAL300012710092	0	49	0.0	-71.94	393.55	6.58	-65.36
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCC[NH+]1CCCC1	REAL300012710093	0	51	0.0	-56.99	417.96	10.93	-46.06
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)NCCC[NH+]1CCCC1	REAL300012710094	0	48	0.0	-58.15	400.52	10.54	-47.61
CCCN(C(=O)NCCC[NH+]1CCCC1)C(COC)C(=O)[O-]	REAL300012710095	0	51	0.0	-76.63	383.62	8.65	-67.98
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=C(Cl)C=C1	REAL300012710096	0	45	0.0	-71.24	375.16	7.71	-63.53
O=C([O-])C1CSCCN1C(=O)NCCC[NH+]1CCCC1	REAL300012710097	0	43	0.0	-80.48	332.21	8.15	-72.33
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCC2)CCCCCC1	REAL300012710098	0	51	0.0	-78.06	355.87	7.89	-70.17
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710099	0	48	0.0	-74.60	380.49	8.19	-66.41
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CCCC1	REAL300012710100	0	48	0.0	-59.51	379.23	9.92	-49.59
O=C([O-])[C@H](NC(=O)NCCC[NH+]1CCCC1)C1=CC=CC=C1	REAL300012710101	0	45	0.0	-75.29	356.86	7.09	-68.20
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=CC=C1	REAL300012710102	0	45	0.0	-74.18	357.83	7.21	-66.97
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710103	0	48	0.0	-74.60	380.49	8.19	-66.41
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCCC[NH+]1CCCC1	REAL300012710104	0	49	0.0	-83.48	368.39	10.06	-73.42
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=CS1	REAL300012710105	0	42	0.0	-72.35	349.46	6.29	-66.06
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NCCC[NH+]1CCCC1	REAL300012710106	0	48	0.0	-57.13	395.96	10.44	-46.69
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NCCC[NH+]1CCCC1	REAL300012710107	0	52	0.0	-75.29	408.94	8.22	-67.07
COC1=CC(CN(CC(=O)[O-])C(=O)NCCC[NH+]2CCCC2)=CC(OC)=C1	REAL300012710108	0	56	0.0	-62.08	438.21	8.53	-53.55
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=C(Br)C=C1	REAL300012710109	0	45	0.0	-71.09	379.73	7.81	-63.28
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCCC[NH+]1CCCC1	REAL300012710110	0	48	0.0	-57.37	385.63	9.99	-47.38
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCC2)CC2=CC=CC=C2C1	REAL300012710111	0	49	0.0	-75.90	376.41	8.36	-67.54
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC(F)=CC=C1F	REAL300012710112	0	45	0.0	-74.10	368.50	7.34	-66.76
CC(NC(=O)NCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012710113	0	48	0.0	-75.02	366.26	7.96	-67.06
CCCCCCC(C)(NC(=O)NCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012710114	0	56	0.0	-73.18	412.44	8.57	-64.61
CN(C(=O)NCCC[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012710115	0	51	0.0	-72.44	389.30	10.05	-62.39
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=C(Cl)C=C1	REAL300012710116	0	45	0.0	-71.24	375.16	7.71	-63.53
CN(C(=O)NCCC[NH+]1CCCC1)C1(C(=O)[O-])CCCCC1	REAL300012710117	0	51	0.0	-78.43	361.07	8.63	-69.80
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCCC[NH+]1CCCC1	REAL300012710118	0	51	0.0	-60.38	401.64	10.70	-49.68
CN(C(=O)NCCC[NH+]1CCCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012710119	0	48	0.0	-73.19	369.59	9.06	-64.13
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCC2)CCC2=CC=CC=C21	REAL300012710120	0	49	0.0	-79.32	373.48	8.30	-71.02
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NCCC[NH+]1CCCC1	REAL300012710121	0	52	0.0	-81.17	414.38	8.13	-73.04
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCCC[NH+]1CCCC1	REAL300012710122	0	51	0.0	-60.38	401.64	10.70	-49.68
CCC1CCC(NC(=O)NCCC[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012710123	0	54	0.0	-76.63	390.89	8.58	-68.05
O=C([O-])CN(C(=O)NCCC[NH+]1CCCC1)C1CCOCC1	REAL300012710124	0	49	0.0	-58.86	365.08	6.82	-52.04
CC(NC(=O)NCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012710125	0	48	0.0	-71.71	398.18	8.94	-62.77
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=CC=C1Cl	REAL300012710126	0	45	0.0	-75.73	368.59	7.59	-68.14
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=CC=C1F	REAL300012710127	0	45	0.0	-80.54	362.88	7.28	-73.26
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCCC[NH+]1CCCC1	REAL300012710128	0	49	0.0	-61.85	373.38	9.61	-52.24
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NCCC[NH+]1CCCC1	REAL300012710129	0	48	0.0	-77.49	395.92	8.51	-68.98
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)NCCC[NH+]1CCCC1	REAL300012710130	0	54	0.0	-78.01	424.25	10.24	-67.77
O=C([O-])C(CC1CCCCC1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710131	0	54	0.0	-73.91	402.62	8.31	-65.60
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCCC1	REAL300012710132	0	51	0.0	-58.43	386.87	10.00	-48.43
CC1=CC=C(C(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012710133	0	48	0.0	-74.81	379.86	7.86	-66.95
O=C([O-])C(CC(F)(F)F)NC(=O)NCCC[NH+]1CCCC1	REAL300012710134	0	41	0.0	-67.79	338.23	5.81	-61.98
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC2=CC=CC=C2C=C1	REAL300012710135	0	51	0.0	-75.91	404.22	9.51	-66.40
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCC2)CCSCC1	REAL300012710136	0	46	0.0	-73.58	347.90	6.91	-66.67
CCOCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCCC1	REAL300012710137	0	48	0.0	-70.94	364.07	6.60	-64.34
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCCC1	REAL300012710138	0	54	0.0	-56.85	407.31	11.27	-45.58
O=C([O-])CN(CCC(F)(F)F)C(=O)NCCC[NH+]1CCCC1	REAL300012710139	0	44	0.0	-59.22	359.86	8.06	-51.16
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1CCCCC1	REAL300012710140	0	51	0.0	-75.41	376.05	7.32	-68.09
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710141	0	48	0.0	-70.22	413.89	9.21	-61.01
CN(C(=O)NCCC[NH+]1CCCC1)C(COC1CCC1)C(=O)[O-]	REAL300012710142	0	52	0.0	-72.12	391.04	7.88	-64.24
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCCC[NH+]1CCCC1	REAL300012710143	0	52	0.0	-82.06	396.34	11.28	-70.78
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CCCC1	REAL300012710144	0	51	0.0	-52.42	388.12	11.01	-41.41
COC1=CC=C(C(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012710145	0	49	0.0	-74.52	387.93	6.48	-68.04
CCC(COC)(NC(=O)NCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012710146	0	48	0.0	-78.56	361.36	5.67	-72.89
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCCC1	REAL300012710147	0	51	0.0	-71.75	384.16	7.25	-64.50
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCC2)CCS(=O)(=O)CC1	REAL300012710148	0	48	0.0	-78.04	368.36	3.31	-74.73
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCCC1	REAL300012710149	0	51	0.0	-81.91	372.90	9.55	-72.36
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CCCC1	REAL300012710150	0	51	0.0	-74.42	389.98	10.69	-63.73
CCC(NC(=O)NCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012710151	0	51	0.0	-72.61	399.90	9.34	-63.27
CCC(NC(=O)NCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012710152	0	51	0.0	-75.78	383.23	8.86	-66.92
COC1CCCC(C(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])C1	REAL300012710153	0	55	0.0	-79.15	408.50	6.32	-72.83
COC1(CC(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012710154	0	52	0.0	-74.61	392.04	6.55	-68.06
O=C([O-])CN(C(=O)NCCC[NH+]1CCCC1)C1CCOCC1	REAL300012710155	0	49	0.0	-58.86	365.08	6.82	-52.04
O=C([O-])CN(C(=O)NCCC[NH+]1CCCC1)C1CCCCC1	REAL300012710156	0	51	0.0	-58.87	373.95	9.20	-49.67
C[C@H]1CC[C@@](NC(=O)NCCC[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012710157	0	51	0.0	-77.12	364.59	7.64	-69.48
COC1=CC=CC(C(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012710158	0	49	0.0	-76.53	387.33	6.50	-70.03
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=CC=C1Br	REAL300012710159	0	45	0.0	-74.95	371.96	7.65	-67.30
O=C([O-])C1C2=C(CCN1C(=O)NCCC[NH+]1CCCC1)OC=C2	REAL300012710160	0	46	0.0	-64.11	355.82	7.80	-56.31
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCCC[NH+]1CCCC1	REAL300012710161	0	42	0.0	-73.22	334.81	6.87	-66.35
COC1=CC=CC([C@H](NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012710162	0	49	0.0	-76.53	387.33	6.50	-70.03
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC[NH+]2CCCC2)C1	REAL300012710163	0	51	0.0	-81.49	387.09	8.90	-72.59
COC1=CC=CC(CC(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012710164	0	52	0.0	-78.19	410.18	7.43	-70.76
CC1(C)CCCC(NC(=O)NCCC[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012710165	0	54	0.0	-78.08	379.73	8.20	-69.88
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012710166	0	51	0.0	-72.15	400.59	8.84	-63.31
CC(NC(=O)NCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012710167	0	50	0.0	-78.37	394.49	8.63	-69.74
COC1CN(C(=O)NCCC[NH+]2CCCC2)C(C)(C(=O)[O-])C1	REAL300012710168	0	49	0.0	-76.10	370.97	6.61	-69.49
O=C([O-])C(CC1CCCOC1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710169	0	52	0.0	-73.15	393.69	5.94	-67.21
C=C(Cl)CC(NC(=O)NCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012710170	0	42	0.0	-73.28	350.74	6.18	-67.10
CC(CC1=CC=C(F)C=C1)(NC(=O)NCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012710171	0	51	0.0	-72.80	390.27	8.39	-64.41
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCCC[NH+]1CCCC1	REAL300012710172	0	42	0.0	-73.37	333.80	6.82	-66.55
O=C([O-])C(CC1CCOCC1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710173	0	52	0.0	-73.46	389.55	6.58	-66.88
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1CCOCC1	REAL300012710174	0	49	0.0	-75.98	366.22	4.97	-71.01
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=CC=C1	REAL300012710175	0	45	0.0	-74.18	357.83	7.21	-66.97
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012710176	0	48	0.0	-73.42	396.93	8.26	-65.16
O=C([O-])C(CC1=CN=CS1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710177	0	44	0.0	-72.01	367.26	5.30	-66.71
CC(C)CCCC(NC(=O)NCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012710178	0	53	0.0	-73.16	404.36	7.96	-65.20
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710179	0	51	0.0	-72.50	410.36	8.59	-63.91
O=C([O-])C(CC1CCCO1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710180	0	49	0.0	-77.64	378.49	5.49	-72.15
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710181	0	48	0.0	-72.94	385.28	8.15	-64.79
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710182	0	48	0.0	-72.22	386.24	8.20	-64.02
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=CC2=CC=CC=C21	REAL300012710183	0	51	0.0	-72.27	399.75	9.58	-62.69
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=CC=C1OC(F)(F)F	REAL300012710184	0	49	0.0	-77.43	400.96	7.10	-70.33
O=C([O-])C1CSCCN1C(=O)NCCC[NH+]1CCCC1	REAL300012710185	0	43	0.0	-80.48	332.21	8.15	-72.33
CC(NC(=O)NCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012710186	0	48	0.0	-75.02	366.26	7.96	-67.06
CC(NC(=O)NCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012710187	0	48	0.0	-74.21	387.56	8.59	-65.62
O=C([O-])CN(CC(F)(F)F)C(=O)NCCC[NH+]1CCCC1	REAL300012710188	0	41	0.0	-68.61	334.85	7.43	-61.18
O=C([O-])CN(CC(F)(F)F)C(=O)NCCC[NH+]1CCCC1	REAL300012710189	0	41	0.0	-68.61	334.85	7.43	-61.18
O=C([O-])CN(CCN1CCOCC1)C(=O)NCCC[NH+]1CCCC1	REAL300012710190	0	54	0.0	-60.10	408.57	5.40	-54.70
CN1CCN(CCN(CC(=O)[O-])C(=O)NCCC[NH+]2CCCC2)CC1	REAL300012710191	1	58	0.0	-59.85	433.76	5.27	-54.58
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC[NH+]1CCCC1	REAL300012710192	0	49	0.0	-55.43	374.52	10.08	-45.35
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCC[NH+]2CCCC2)[C@H]1C(=O)[O-]	REAL300012710193	0	52	0.0	-64.55	383.91	10.11	-54.44
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCCC[NH+]1CCCC1	REAL300012710194	0	50	0.0	-72.78	378.26	8.34	-64.44
O=C([O-])[C@H](NC(=O)NCCC[NH+]1CCCC1)C1=CC=CC=C1	REAL300012710195	0	45	0.0	-75.29	356.86	7.09	-68.20
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300012710196	0	48	0.0	-70.30	396.97	8.27	-62.03
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710197	0	50	0.0	-75.11	398.59	7.13	-67.98
O=C([O-])C(CC1=NC=CS1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710198	0	44	0.0	-76.37	367.25	5.12	-71.25
O=C([O-])C(CC1=CC=CC=C1Br)NC(=O)NCCC[NH+]1CCCC1	REAL300012710199	0	48	0.0	-77.00	399.42	8.61	-68.39
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCCC[NH+]1CCCC1	REAL300012710200	0	45	0.0	-69.14	385.95	6.96	-62.18
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CSC(Br)=C1	REAL300012710201	0	42	0.0	-70.65	370.50	6.94	-63.71
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCCC[NH+]1CCCC1	REAL300012710202	0	45	0.0	-89.35	351.56	4.59	-84.76
CN1CC(C(=O)[O-])N(C(=O)NCCC[NH+]2CCCC2)CC1=O	REAL300012710203	0	46	0.0	-74.34	349.32	6.27	-68.07
O=C([O-])[C@@H](NC(=O)NCCC[NH+]1CCCC1)C1=CC=CC=C1	REAL300012710204	0	45	0.0	-74.20	357.83	7.21	-66.99
CC(CN1C=CC=N1)(NC(=O)NCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012710205	0	48	0.0	-73.80	372.27	6.56	-67.24
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012710206	0	54	0.0	-75.89	404.16	6.32	-69.57
CC1(C)CCCC1(NC(=O)NCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012710207	0	51	0.0	-77.68	366.24	7.47	-70.21
CN(C(=O)NCCC[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012710208	0	51	0.0	-72.44	389.30	10.05	-62.39
CC1CCC(NC(=O)NCCC[NH+]2CCCC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012710209	0	55	0.0	-79.49	407.24	9.56	-69.93
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012710210	0	54	0.0	-75.43	406.64	6.34	-69.09
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCC2)CC(COCC2=CC=CC=C2)C1	REAL300012710211	0	59	0.0	-78.52	459.71	9.52	-69.00
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCCC[NH+]1CCCC1	REAL300012710212	0	53	0.0	-63.22	400.64	10.75	-52.47
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CNC2=CC=CC=C12	REAL300012710213	0	49	0.0	-82.68	390.38	7.25	-75.43
CC(C1=CC=CC=C1)C(NC(=O)NCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012710214	0	51	0.0	-73.09	395.90	8.52	-64.57
O=C([O-])C(CC1CC=CCC1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710215	0	52	0.0	-72.80	390.28	8.98	-63.82
CC1(C)CC(NC(=O)NCCC[NH+]2CCCC2)(C(=O)[O-])CC(C)(C)O1	REAL300012710216	0	58	0.0	-76.27	414.08	7.77	-68.50
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1CCCCC1	REAL300012710217	0	51	0.0	-75.41	376.05	7.32	-68.09
O=C([O-])C(CC1CCCCO1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710218	0	52	0.0	-77.06	396.50	6.29	-70.77
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCC[NH+]1CCCC1	REAL300012710219	0	52	0.0	-53.52	367.67	8.85	-44.67
CC1(C)CC(NC(=O)NCCC[NH+]2CCCC2)(C(=O)[O-])CCO1	REAL300012710220	0	52	0.0	-77.02	372.33	6.14	-70.88
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)NCCC[NH+]1CCCC1	REAL300012710221	0	51	0.0	-75.58	418.91	9.39	-66.19
CC1=CC=CC2=C1CCN(C(=O)NCCC[NH+]1CCCC1)C2C(=O)[O-]	REAL300012710222	0	52	0.0	-64.13	390.81	10.16	-53.97
O=C([O-])C(CC1CC=CCC1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710223	0	52	0.0	-72.80	390.28	8.98	-63.82
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710224	0	48	0.0	-76.42	387.14	8.19	-68.23
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCC2)CC(F)(F)C1	REAL300012710225	0	42	0.0	-75.84	331.86	5.85	-69.99
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1(C(F)(F)F)CC1	REAL300012710226	0	45	0.0	-75.06	360.26	6.88	-68.18
O=C([O-])C(CC(F)(F)F)NC(=O)NCCC[NH+]1CCCC1	REAL300012710227	0	41	0.0	-67.79	338.23	5.81	-61.98
O=C([O-])C(CC1CCOC1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710228	0	49	0.0	-72.44	373.98	4.84	-67.60
O=C([O-])C(CC1=CC=CS1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710229	0	45	0.0	-74.59	372.60	7.19	-67.40
COCC(NC(=O)NCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012710230	0	52	0.0	-74.18	399.44	7.18	-67.00
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CCCC1	REAL300012710231	0	51	0.0	-74.42	389.98	10.69	-63.73
O=C([O-])C(CC1=CC=C(Br)C=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710232	0	48	0.0	-71.84	401.14	8.76	-63.08
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710233	0	52	0.0	-77.65	419.92	7.71	-69.94
O=C([O-])C(CC1CCCCC1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710234	0	54	0.0	-73.91	402.62	8.31	-65.60
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710235	0	51	0.0	-74.32	403.70	8.91	-65.41
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710236	0	51	0.0	-74.77	402.09	8.80	-65.97
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1CC2CCC1C2	REAL300012710237	0	52	0.0	-74.91	381.13	7.67	-67.24
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710238	0	54	0.0	-73.87	402.63	8.32	-65.55
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710239	0	54	0.0	-73.54	402.40	8.37	-65.17
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCCC[NH+]1CCCC1	REAL300012710240	0	52	0.0	-55.70	381.32	8.89	-46.81
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCCC[NH+]1CCCC1	REAL300012710241	0	52	0.0	-81.79	377.78	8.75	-73.04
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=C(OCC(F)F)C=C1	REAL300012710242	0	52	0.0	-78.22	422.19	7.74	-70.48
COC1=CC=C(CC(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012710243	0	52	0.0	-73.76	409.33	7.43	-66.33
C=CCSCC(NC(=O)NCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012710244	0	46	0.0	-70.79	380.05	6.99	-63.80
N#CC1=CC=C(CC(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012710245	0	49	0.0	-74.04	401.50	8.52	-65.52
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)NCCC[NH+]1CCCC1	REAL300012710246	0	52	0.0	-87.68	420.12	8.18	-79.50
COC1=CC=C2NC=C(CC(NC(=O)NCCC[NH+]3CCCC3)C(=O)[O-])C2=C1	REAL300012710247	0	56	0.0	-86.98	444.17	7.35	-79.63
COC1(C(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012710248	0	49	0.0	-70.69	367.63	4.64	-66.05
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCC2)CCC(C(F)F)CC1	REAL300012710249	0	51	0.0	-78.21	382.62	8.06	-70.15
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCC2)CCC2=CC=CC=C2C1	REAL300012710250	0	52	0.0	-77.48	389.72	9.26	-68.22
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCC2)CC(C(F)F)C1	REAL300012710251	0	45	0.0	-73.31	357.38	6.72	-66.59
CC(C)(C)C1=CC=C(C(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012710253	0	57	0.0	-74.31	434.69	9.50	-64.81
CC(C)C1=CC=C(C(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012710254	0	54	0.0	-73.91	418.47	9.19	-64.72
CCOC1=CC=C(C(NC(=O)NCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012710255	0	52	0.0	-73.76	409.18	7.42	-66.34
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCCC[NH+]1CCCC1	REAL300012710256	0	52	0.0	-81.92	377.58	9.70	-72.22
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1CCC2=CC=CC=C21	REAL300012710257	0	52	0.0	-74.93	399.94	9.64	-65.29
CC(COC1=CC=CC=C1)(NC(=O)NCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012710258	0	52	0.0	-78.96	400.89	8.23	-70.73
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCCC[NH+]1CCCC1	REAL300012710259	0	48	0.0	-77.51	394.69	8.12	-69.39
O=C([O-])C1CC2(CCC2)CN1C(=O)NCCC[NH+]1CCCC1	REAL300012710260	0	49	0.0	-55.36	367.94	8.51	-46.85
O=C([O-])C(CC1CCOC1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710261	0	49	0.0	-72.44	373.98	4.84	-67.60
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710262	0	48	0.0	-74.99	401.79	8.80	-66.19
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CCCC2)C1	REAL300012710263	0	46	0.0	-77.32	363.86	8.19	-69.13
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCC2)CCCC2CC21	REAL300012710264	0	49	0.0	-76.43	360.37	7.70	-68.73
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCC2)CC2(CCC2)C1	REAL300012710265	0	49	0.0	-76.97	365.31	7.39	-69.58
CN(C(=O)NCCC[NH+]1CCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012710266	0	51	0.0	-72.45	389.80	10.16	-62.29
O=C([O-])C1CC2(CN1C(=O)NCCC[NH+]1CCCC1)CCCCC2	REAL300012710267	0	55	0.0	-55.17	397.00	9.49	-45.68
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CCCC1	REAL300012710268	0	48	0.0	-59.51	379.23	9.92	-49.59
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012710269	0	55	0.0	-74.59	432.41	10.67	-63.92
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NCCC[NH+]1CCCC1	REAL300012710270	0	49	0.0	-77.83	380.44	10.21	-67.62
CC(NC(=O)NCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012710271	0	51	0.0	-71.36	404.99	8.96	-62.40
O=C([O-])C1CC(F)(F)CCN1C(=O)NCCC[NH+]1CCCC1	REAL300012710272	0	45	0.0	-79.84	343.26	8.18	-71.66
O=C([O-])C1N(C(=O)NCCC[NH+]2CCCC2)CCC1(F)F	REAL300012710273	0	42	0.0	-83.14	331.12	7.06	-76.08
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710274	0	48	0.0	-76.42	387.14	8.19	-68.23
O=C([O-])C(CC1=CSC=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710275	0	45	0.0	-73.87	371.54	7.04	-66.83
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCCC[NH+]1CCCC1	REAL300012710276	0	45	0.0	-72.32	350.24	7.69	-64.63
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCC2)CC2(CC(F)(F)C2)C1	REAL300012710277	0	49	0.0	-77.49	385.49	7.86	-69.63
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NCCC[NH+]1CCCC1	REAL300012710278	0	53	0.0	-78.15	408.84	9.47	-68.68
O=C([O-])C(CC1=CSC=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710279	0	45	0.0	-73.87	371.54	7.04	-66.83
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCCC1	REAL300012710280	0	49	0.0	-82.07	358.93	8.13	-73.94
COCCCC(NC(=O)NCCC[NH+]1CCCC1)C(=O)[O-]	REAL300012710281	0	48	0.0	-72.70	377.47	4.95	-67.75
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1CCCCO1	REAL300012710282	0	49	0.0	-75.87	373.05	5.66	-70.21
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C1=CC=CC(Br)=C1	REAL300012710283	0	45	0.0	-72.89	379.13	7.82	-65.07
O=C([O-])C1(NC(=O)NCCC[NH+]2CCCC2)CC2=CC=CC=C2C1	REAL300012710284	0	49	0.0	-75.90	376.41	8.36	-67.54
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCCC[NH+]1CCCC1	REAL300012710285	0	48	0.0	-72.89	363.56	8.00	-64.89
O=C([O-])C(NC(=O)NCCC[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2	REAL300012710286	0	59	0.0	-78.34	414.85	9.22	-69.12
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCCC[NH+]1CCCC1	REAL300012710287	0	51	0.0	-77.98	410.64	8.37	-69.61
O=C([O-])CN(CC1=CC=CO1)C(=O)NCCC[NH+]1CCCC1	REAL300012710288	0	45	0.0	-60.46	360.89	8.06	-52.40
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCCC[NH+]1CCCC1	REAL300012710289	0	56	0.0	-81.17	394.31	8.59	-72.58
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCCC[NH+]1CCCC1	REAL300012710290	0	47	0.0	-70.24	392.47	6.74	-63.50
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CCCC2)C1	REAL300012710291	0	49	0.0	-80.27	375.88	6.64	-73.63
CC(C)C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710292	0	53	0.0	-74.17	397.02	7.73	-66.44
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C=CC(C)C(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710294	0	51	0.0	-75.12	383.94	7.27	-67.85
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012710295	0	55	0.0	-75.01	408.39	6.44	-68.57
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012710296	0	51	0.0	-69.78	407.20	8.58	-61.20
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012710297	0	51	0.0	-69.06	416.49	9.07	-59.99
COC1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C(C(=O)[O-])C1	REAL300012710298	0	55	0.0	-83.76	398.54	8.41	-75.35
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012710299	0	55	0.0	-72.25	402.25	6.29	-65.96
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CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012710302	0	56	0.0	-75.45	430.43	8.32	-67.13
CC1=CC(C)=CC(C(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012710303	0	57	0.0	-76.17	437.37	9.80	-66.37
CC1=CC=C(C(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1C	REAL300012710304	0	57	0.0	-75.60	432.32	9.70	-65.90
COC1=CC=C(C(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1Cl	REAL300012710305	0	55	0.0	-72.92	440.02	8.32	-64.60
CC1=CC=CC(C(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1C	REAL300012710306	0	57	0.0	-75.59	424.52	9.49	-66.10
COC1=CC=C(C(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1F	REAL300012710307	0	55	0.0	-73.27	430.22	7.84	-65.43
CC(C(=O)[O-])N(C(=O)NCCC[NH+]1CCC(C)CC1)C1CCC1	REAL300012710308	0	54	0.0	-62.37	390.13	9.26	-53.11
CCCN(C(=O)NCCC[NH+]1CCC(C)CC1)C(COC)C(=O)[O-]	REAL300012710309	0	57	0.0	-77.15	419.69	9.93	-67.22
CCCN(C(=O)NCCC[NH+]1CCC(C)CC1)C(CC)C(=O)[O-]	REAL300012710310	0	56	0.0	-75.62	405.88	10.58	-65.04
CC1CC[NH+](CCCNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012710311	0	51	0.0	-83.70	368.45	9.57	-74.13
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012710312	0	51	0.0	-71.23	410.63	9.02	-62.21
CC1CC[NH+](CCCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012710313	0	49	0.0	-80.96	368.27	9.44	-71.52
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012710314	0	54	0.0	-77.32	387.89	8.61	-68.71
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012710315	0	51	0.0	-77.75	372.79	7.47	-70.28
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012710316	0	57	0.0	-78.04	393.54	9.28	-68.76
CC1CC[NH+](CCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012710317	0	54	0.0	-75.22	416.56	9.48	-65.74
CC1CC[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012710318	0	54	0.0	-59.95	415.30	11.21	-48.74
CC1CC[NH+](CCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012710319	0	51	0.0	-75.39	394.54	8.47	-66.92
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012710320	0	51	0.0	-74.70	393.90	8.50	-66.20
CC1CC[NH+](CCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012710321	0	54	0.0	-75.22	416.56	9.48	-65.74
CCC(C)C(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710322	0	53	0.0	-73.54	387.94	7.33	-66.21
CC1CC[NH+](CCCNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012710323	0	51	0.0	-83.70	368.45	9.57	-74.13
CCCC(C)(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710324	0	53	0.0	-73.51	384.00	7.52	-65.99
CC(C)CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710325	0	53	0.0	-59.19	392.21	9.27	-49.92
CC1CC[NH+](CCCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012710326	0	55	0.0	-83.35	406.06	11.45	-71.90
CC1CC[NH+](CCCNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012710327	0	51	0.0	-75.18	372.00	7.51	-67.67
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012710328	0	48	0.0	-73.53	386.13	7.55	-65.98
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012710329	0	54	0.0	-77.32	387.89	8.61	-68.71
CC1CC[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012710330	0	54	0.0	-57.69	432.03	11.73	-45.96
CC1CC[NH+](CCCNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012710331	0	58	0.0	-75.95	445.00	9.51	-66.44
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710332	0	53	0.0	-74.78	389.60	7.36	-67.42
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012710333	0	51	0.0	-77.75	372.79	7.47	-70.28
CC1CC[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012710334	0	54	0.0	-57.90	421.71	11.28	-46.62
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012710335	0	55	0.0	-76.52	412.48	9.65	-66.87
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012710336	0	51	0.0	-75.45	405.37	8.63	-66.82
CC1CC[NH+](CCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012710337	0	54	0.0	-75.47	402.32	9.25	-66.22
CCCCCCC(C)(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710338	0	62	0.0	-73.69	448.50	9.85	-63.84
CC1CC[NH+](CCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012710339	0	57	0.0	-73.11	425.37	11.33	-61.78
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012710340	0	51	0.0	-71.23	410.63	9.02	-62.21
CC1CC[NH+](CCCNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012710341	0	49	0.0	-80.17	359.62	6.91	-73.26
CC1CC[NH+](CCCNC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012710342	0	57	0.0	-79.09	397.14	9.92	-69.17
CC1CC[NH+](CCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012710343	0	57	0.0	-60.89	437.70	12.00	-48.89
CC1CC[NH+](CCCNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012710344	0	54	0.0	-73.86	405.66	10.35	-63.51
COCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710345	0	51	0.0	-60.48	387.67	7.39	-53.09
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012710346	0	55	0.0	-79.78	409.55	9.59	-70.19
CC1CC[NH+](CCCNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012710347	0	51	0.0	-82.05	368.44	9.36	-72.69
CC1CC[NH+](CCCNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012710348	0	51	0.0	-79.71	374.20	8.87	-70.84
CC1CC[NH+](CCCNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012710349	0	58	0.0	-82.30	450.69	9.36	-72.94
CC1CC[NH+](CCCNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012710350	0	54	0.0	-82.44	381.28	9.95	-72.49
CCCCC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710351	0	53	0.0	-73.75	401.36	7.94	-65.81
CC1CC[NH+](CCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012710352	0	57	0.0	-60.89	437.70	12.00	-48.89
CC1CC[NH+](CCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012710353	0	51	0.0	-79.53	374.73	8.87	-70.66
CC1CC[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012710354	0	54	0.0	-58.92	392.64	9.78	-49.14
COCC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710355	0	48	0.0	-74.83	369.73	4.62	-70.21
CCCCCC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710356	0	56	0.0	-73.74	422.86	8.72	-65.02
CCC1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)(C(=O)[O-])CC1	REAL300012710357	0	60	0.0	-77.26	426.94	9.86	-67.40
CC1CC[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012710358	0	55	0.0	-59.52	401.06	8.11	-51.41
CC1CC[NH+](CCCNC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012710359	0	54	0.0	-80.16	383.81	9.21	-70.95
CC(C(=O)[O-])N(C(=O)NCCC[NH+]1CCC(C)CC1)C1CC1	REAL300012710360	0	51	0.0	-62.89	374.70	8.91	-53.98
CCC(C(=O)[O-])N(C(=O)NCCC[NH+]1CCC(C)CC1)C1CC1	REAL300012710361	0	54	0.0	-60.79	396.21	10.08	-50.71
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012710362	0	51	0.0	-77.01	406.48	8.90	-68.11
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012710363	0	51	0.0	-81.05	398.93	8.56	-72.49
CC1CC[NH+](CCCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012710364	0	55	0.0	-62.49	409.45	10.90	-51.59
CC1CC[NH+](CCCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012710365	0	54	0.0	-78.05	430.68	9.68	-68.37
CC1CC[NH+](CCCNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012710366	0	60	0.0	-78.70	460.23	11.54	-67.16
CC1CC[NH+](CCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012710367	0	60	0.0	-74.08	438.49	9.67	-64.41
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710368	0	57	0.0	-58.15	427.26	11.79	-46.36
CC1=CC=C(C(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012710369	0	54	0.0	-75.07	415.68	9.23	-65.84
CC1CC[NH+](CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012710370	0	47	0.0	-67.67	373.47	7.12	-60.55
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012710371	0	57	0.0	-76.82	440.52	10.75	-66.07
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012710372	0	52	0.0	-73.61	385.58	8.30	-65.31
COCC(C)(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710373	0	51	0.0	-77.75	380.75	6.05	-71.70
CCOCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710374	0	54	0.0	-71.85	399.95	7.77	-64.08
CC(C)CN(CC(=O)[O-])C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710375	0	53	0.0	-59.19	392.21	9.27	-49.92
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710376	0	60	0.0	-57.30	443.37	12.56	-44.74
CC1CC[NH+](CCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012710377	0	50	0.0	-59.79	395.92	9.35	-50.44
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012710378	0	49	0.0	-73.16	364.01	4.90	-68.26
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012710379	0	57	0.0	-75.22	411.44	8.68	-66.54
CC1CC[NH+](CCCNC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012710380	0	58	0.0	-72.42	428.01	9.22	-63.20
CC1CC[NH+](CCCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012710381	0	58	0.0	-82.05	434.08	12.44	-69.61
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012710382	0	52	0.0	-76.56	379.31	6.11	-70.45
C=CCCC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710383	0	51	0.0	-73.47	392.67	7.72	-65.75
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710384	0	57	0.0	-52.76	424.62	12.20	-40.56
CCC(CC)(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710385	0	53	0.0	-74.50	379.17	7.65	-66.85
COC1=CC=C(C(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012710386	0	55	0.0	-75.08	423.99	7.76	-67.32
CCC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710387	0	53	0.0	-57.57	389.61	9.66	-47.91
CCC(COC)(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710388	0	54	0.0	-79.08	397.42	6.95	-72.13
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710389	0	57	0.0	-71.98	420.22	8.54	-63.44
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012710390	0	54	0.0	-78.74	404.41	4.61	-74.13
CC1CC[NH+](CCCNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012710391	0	51	0.0	-73.23	389.73	8.01	-65.22
COCCC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710392	0	51	0.0	-73.41	391.21	5.47	-67.94
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710393	0	56	0.0	-71.85	407.54	9.97	-61.88
CC1CC[NH+](CCCNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012710394	0	47	0.0	-73.47	370.71	6.68	-66.79
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710395	0	57	0.0	-82.45	408.90	10.81	-71.64
CCCN(C(=O)NCCC[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012710396	0	53	0.0	-53.93	388.83	9.79	-44.14
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710397	0	57	0.0	-75.29	426.16	11.96	-63.33
CCC(NC(=O)NCCC[NH+]1CCC(C)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012710398	0	57	0.0	-73.06	435.96	10.63	-62.43
CCC(NC(=O)NCCC[NH+]1CCC(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012710399	0	57	0.0	-76.41	419.30	10.15	-66.26
COC1CCCC(C(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])C1	REAL300012710400	0	61	0.0	-78.95	443.89	7.68	-71.27
CC1CC[NH+](CCCNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012710401	0	47	0.0	-72.13	364.13	6.55	-65.58
COC1(CC(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])CCC1	REAL300012710402	0	58	0.0	-76.14	430.10	7.41	-68.73
CC1CC[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012710403	0	55	0.0	-59.52	401.06	8.11	-51.41
CC1CC[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012710404	0	57	0.0	-59.48	410.02	10.49	-48.99
CC1CC[NH+](CCCNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012710405	0	57	0.0	-77.40	402.14	9.03	-68.37
COC1=CC=CC(C(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012710406	0	55	0.0	-77.06	423.40	7.79	-69.27
CC1CC[NH+](CCCNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012710407	0	50	0.0	-70.43	369.09	6.91	-63.52
CC1CC[NH+](CCCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012710408	0	52	0.0	-64.80	391.88	9.09	-55.71
CC1CC[NH+](CCCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012710409	0	48	0.0	-73.84	371.33	8.19	-65.65
COC1=CC=CC([C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012710410	0	55	0.0	-77.67	424.00	7.75	-69.92
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC[NH+]2CCC(C)CC2)C1	REAL300012710411	0	57	0.0	-81.93	423.15	10.18	-71.75
COC1=CC=CC(CC(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300012710412	0	58	0.0	-74.02	446.00	8.77	-65.25
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012710413	0	60	0.0	-78.54	415.79	9.47	-69.07
CC1CC[NH+](CCCNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012710414	0	49	0.0	-85.58	364.43	8.94	-76.64
CC1CC[NH+](CCCNC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300012710415	0	57	0.0	-72.82	436.64	10.13	-62.69
CC1CC[NH+](CCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012710416	0	56	0.0	-71.03	430.54	9.92	-61.11
COC1CN(C(=O)NCCC[NH+]2CCC(C)CC2)C(C)(C(=O)[O-])C1	REAL300012710417	0	55	0.0	-79.99	407.52	7.84	-72.15
CC1CC[NH+](CCCNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012710418	0	58	0.0	-73.29	429.52	7.29	-66.00
CC1CC[NH+](CCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012710419	0	53	0.0	-75.07	389.15	7.51	-67.56
C=C(Cl)CC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710420	0	48	0.0	-74.55	387.63	7.45	-67.10
C=C(C)CC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710421	0	51	0.0	-73.95	392.25	7.59	-66.36
CC1CC[NH+](CCCNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012710422	0	52	0.0	-87.59	378.91	9.76	-77.83
CC1CC[NH+](CCCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012710423	0	57	0.0	-73.46	426.33	9.67	-63.79
CC1CC[NH+](CCCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012710424	0	48	0.0	-73.97	370.91	8.16	-65.81
CC1CC[NH+](CCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012710425	0	48	0.0	-77.48	364.08	8.43	-69.05
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CCC(C)CC2)C1	REAL300012710426	0	49	0.0	-80.19	371.35	8.36	-71.83
CC1CC[NH+](CCCNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012710427	0	58	0.0	-75.04	429.59	7.28	-67.76
CC(C)C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710428	0	53	0.0	-74.17	397.02	7.73	-66.44
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012710429	0	55	0.0	-75.01	408.39	6.44	-68.57
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012710430	0	51	0.0	-74.70	393.90	8.50	-66.20
CC1CC[NH+](CCCNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012710431	0	51	0.0	-73.23	389.73	8.01	-65.22
CC1CC[NH+](CCCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012710432	0	50	0.0	-71.97	402.50	6.59	-65.38
CC(C)CCCC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710433	0	59	0.0	-73.04	439.60	9.24	-63.80
CC1CC[NH+](CCCNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012710434	0	57	0.0	-78.05	446.27	9.87	-68.18
CC1CC[NH+](CCCNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012710435	0	55	0.0	-77.87	414.31	6.84	-71.03
CSCC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710436	0	48	0.0	-71.42	381.84	6.81	-64.61
COC[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710437	0	48	0.0	-75.32	370.22	4.64	-70.68
CC1CC[NH+](CCCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012710438	0	54	0.0	-73.45	423.21	9.48	-63.97
CCC(C)CC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710439	0	56	0.0	-74.18	415.30	8.35	-65.83
C=CCCCC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710440	0	54	0.0	-73.40	414.17	8.50	-64.90
CC1CC[NH+](CCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012710441	0	54	0.0	-72.86	422.32	9.49	-63.37
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012710442	0	57	0.0	-79.37	435.43	10.63	-68.74
CC1CC[NH+](CCCNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012710443	0	49	0.0	-80.96	368.27	9.44	-71.52
CC1CC[NH+](CCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012710444	0	54	0.0	-75.47	402.32	9.25	-66.22
CC1CC[NH+](CCCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012710445	0	52	0.0	-85.77	379.10	9.91	-75.86
CCN(C(=O)NCCC[NH+]1CCC(C)CC1)C(C)(C)C(=O)[O-]	REAL300012710446	0	53	0.0	-76.70	383.09	9.17	-67.53
CCCN(C(=O)NCCC[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012710447	0	53	0.0	-53.93	388.83	9.79	-44.14
CC1CC[NH+](CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012710448	0	47	0.0	-69.30	370.91	8.72	-60.58
CC1CC[NH+](CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012710449	0	47	0.0	-69.30	370.91	8.72	-60.58
CC1CC[NH+](CCCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012710450	0	60	0.0	-60.64	444.63	6.69	-53.95
CC1CC[NH+](CCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012710451	0	49	0.0	-82.22	369.59	4.65	-77.57
CC1CC[NH+](CCCNC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012710452	1	64	0.0	-59.93	464.61	6.33	-53.60
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710453	0	55	0.0	-56.74	412.91	11.24	-45.50
CC1CC[NH+](CCCNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012710454	0	58	0.0	-65.18	421.45	11.49	-53.69
CC1CC[NH+](CCCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012710455	0	56	0.0	-74.14	414.21	9.60	-64.54
CC1CC[NH+](CCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012710456	0	51	0.0	-75.39	394.54	8.47	-66.92
CC1CC[NH+](CCCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012710457	0	56	0.0	-75.40	434.41	8.48	-66.92
C=CCCC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710458	0	51	0.0	-73.47	392.67	7.72	-65.75
CC1CC[NH+](CCCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012710459	0	50	0.0	-77.07	403.32	6.41	-70.66
CC1CC[NH+](CCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012710460	0	51	0.0	-69.80	422.00	8.22	-61.58
CC1CC[NH+](CCCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012710461	0	51	0.0	-90.14	387.62	5.87	-84.27
CC1CC[NH+](CCCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012710462	0	52	0.0	-74.85	385.39	7.56	-67.29
CC1CC[NH+](CCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012710463	0	51	0.0	-79.54	374.68	8.90	-70.64
CC1CC[NH+](CCCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012710464	0	51	0.0	-74.70	393.90	8.50	-66.20
CC1CC[NH+](CCCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012710465	0	54	0.0	-76.86	403.98	7.80	-69.06
CC1CC[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012710466	0	54	0.0	-58.92	392.64	9.78	-49.14
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710467	0	53	0.0	-74.78	389.60	7.36	-67.42
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012710468	0	52	0.0	-83.09	390.03	4.30	-78.79
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710469	0	60	0.0	-76.34	441.84	7.71	-68.63
CC1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012710470	0	54	0.0	-77.58	394.44	8.14	-69.44
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012710471	0	57	0.0	-78.34	402.30	8.75	-69.59
COCCC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710472	0	51	0.0	-73.41	391.21	5.47	-67.94
CC1CC[NH+](CCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012710473	0	57	0.0	-73.11	425.37	11.33	-61.78
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012710474	0	54	0.0	-79.09	395.69	8.81	-70.28
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)CC1	REAL300012710475	0	61	0.0	-80.01	443.31	10.85	-69.16
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012710476	0	51	0.0	-76.42	381.97	7.76	-68.66
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710477	0	60	0.0	-76.05	442.70	7.63	-68.42
CC1CC[NH+](CCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012710478	0	49	0.0	-85.82	367.82	4.79	-81.03
CC1CC[NH+](CCCNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012710479	0	59	0.0	-63.78	436.67	12.00	-51.78
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012710480	0	52	0.0	-71.51	391.08	5.54	-65.97
CC1CC[NH+](CCCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012710481	0	52	0.0	-83.96	379.54	9.48	-74.48
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012710482	0	55	0.0	-81.70	426.06	8.54	-73.16
CC1CC[NH+](CCCNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012710483	0	50	0.0	-80.94	371.72	7.12	-73.82
CC1CC[NH+](CCCNC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012710484	0	54	0.0	-83.08	389.29	10.16	-72.92
CC(C1=CC=CC=C1)C(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710485	0	57	0.0	-73.80	431.69	9.74	-64.06
CC1CC[NH+](CCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012710486	0	58	0.0	-74.00	426.59	10.20	-63.80
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012710487	0	51	0.0	-74.23	378.03	7.36	-66.87
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012710488	0	64	0.0	-76.12	451.77	9.16	-66.96
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012710489	0	57	0.0	-75.22	411.44	8.68	-66.54
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012710490	0	51	0.0	-74.23	378.03	7.36	-66.87
CC1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C1C(=O)[O-]	REAL300012710491	0	51	0.0	-80.81	373.30	8.47	-72.34
CC1CC[NH+](CCCNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012710492	0	58	0.0	-73.10	430.36	8.19	-64.91
CC1CC[NH+](CCCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012710493	0	58	0.0	-53.76	404.14	10.18	-43.58
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012710494	0	58	0.0	-77.60	408.41	7.42	-70.18
CC1=CC=CC2=C1CCN(C(=O)NCCC[NH+]1CCC(C)CC1)C2C(=O)[O-]	REAL300012710495	0	58	0.0	-64.68	426.87	11.44	-53.24
CC1CC[NH+](CCCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012710496	0	52	0.0	-56.19	380.58	9.36	-46.83
CC1CC[NH+](CCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012710497	0	58	0.0	-74.00	426.59	10.20	-63.80
CC1CC[NH+](CCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012710498	0	54	0.0	-76.69	422.97	9.54	-67.15
COC1CC(NC(=O)NCCC[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012710499	0	52	0.0	-80.65	392.96	6.08	-74.57
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012710500	0	48	0.0	-76.59	367.92	7.14	-69.45
CO[C@H]1C[C@](NC(=O)NCCC[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012710501	0	52	0.0	-75.90	391.89	6.41	-69.49
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012710502	0	51	0.0	-76.77	398.49	8.15	-68.62
CCC1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710503	0	54	0.0	-80.39	390.02	10.01	-70.38
CC1CC[NH+](CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012710504	0	47	0.0	-67.67	373.47	7.12	-60.55
CC1CC[NH+](CCCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012710505	0	55	0.0	-76.29	412.17	6.40	-69.89
CC1CC[NH+](CCCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012710506	0	51	0.0	-74.52	407.83	8.49	-66.03
COCC(NC(=O)NCCC[NH+]1CCC(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012710507	0	58	0.0	-74.72	435.50	8.47	-66.25
CC(C)C(C)(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710508	0	53	0.0	-74.39	379.23	7.46	-66.93
CC1CC[NH+](CCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012710509	0	49	0.0	-84.16	365.25	9.49	-74.67
CC1CC[NH+](CCCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012710510	0	52	0.0	-82.42	381.02	8.91	-73.51
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710511	0	57	0.0	-75.29	426.16	11.96	-63.33
CC1CC[NH+](CCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012710512	0	60	0.0	-74.08	438.49	9.67	-64.41
CC1CC[NH+](CCCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012710513	0	57	0.0	-74.32	438.94	10.20	-64.12
CC1CC[NH+](CCCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012710514	0	57	0.0	-74.54	439.53	10.25	-64.29
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012710515	0	58	0.0	-76.47	420.65	9.04	-67.43
CC1CC[NH+](CCCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012710516	0	60	0.0	-74.61	438.72	9.61	-65.00
CC1CC[NH+](CCCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012710517	0	60	0.0	-74.53	438.70	9.60	-64.93
CC1CC[NH+](CCCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012710518	0	58	0.0	-55.69	418.99	10.28	-45.41
CC1CC[NH+](CCCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012710519	0	58	0.0	-82.20	415.06	10.11	-72.09
COC1=CC=C(CC(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012710520	0	58	0.0	-76.64	446.29	8.71	-67.93
C=CCSCC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710521	0	52	0.0	-71.40	416.11	8.26	-63.14
CC1CC[NH+](CCCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012710522	0	55	0.0	-74.22	437.39	9.87	-64.35
CCC(C(=O)[O-])N(CC)C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710523	0	53	0.0	-75.91	384.37	9.84	-66.07
COC1(C(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])CCC1	REAL300012710524	0	55	0.0	-70.89	405.96	6.07	-64.82
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012710525	0	57	0.0	-78.21	420.29	9.44	-68.77
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012710526	0	58	0.0	-77.91	425.80	10.53	-67.38
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012710527	0	51	0.0	-73.92	393.45	8.00	-65.92
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300012710529	0	63	0.0	-74.97	470.70	10.79	-64.18
CC(C)C1=CC=C(C(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012710530	0	60	0.0	-74.91	454.75	10.40	-64.51
CC1CC[NH+](CCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012710531	0	48	0.0	-77.48	364.08	8.43	-69.05
CC1CC[NH+](CCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012710532	0	50	0.0	-55.99	373.65	9.16	-46.83
CC1CC[NH+](CCCNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012710533	0	54	0.0	-81.82	393.27	8.96	-72.86
CCOC1=CC=C(C(NC(=O)NCCC[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300012710534	0	58	0.0	-74.87	445.87	8.69	-66.18
CC1CC[NH+](CCCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012710535	0	58	0.0	-82.46	413.66	10.98	-71.48
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012710536	0	58	0.0	-75.30	436.65	10.47	-64.83
CC1CC[NH+](CCCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012710537	0	58	0.0	-79.62	436.96	9.52	-70.10
CC1CC[NH+](CCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012710538	0	54	0.0	-78.15	430.75	9.40	-68.75
CC(C)CCC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710539	0	56	0.0	-74.00	418.93	8.46	-65.54
CC1CC[NH+](CCCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012710540	0	55	0.0	-55.94	404.00	9.80	-46.14
CC1CC[NH+](CCCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012710541	0	55	0.0	-76.29	412.17	6.40	-69.89
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CCC(C)CC2)C1	REAL300012710542	0	52	0.0	-78.17	400.61	9.52	-68.65
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012710543	0	55	0.0	-77.00	396.44	8.99	-68.01
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012710544	0	52	0.0	-79.14	380.86	8.34	-70.80
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012710545	0	55	0.0	-77.17	402.12	8.73	-68.44
CC1CC[NH+](CCCNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012710546	0	57	0.0	-73.11	425.37	11.33	-61.78
CC1CC[NH+](CCCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012710547	0	61	0.0	-55.86	433.08	10.78	-45.08
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012710548	0	54	0.0	-74.53	394.53	7.98	-66.55
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CC1[C@@H](C)[C@@]1(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710550	0	51	0.0	-80.28	381.83	8.17	-72.11
CC1CC[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012710551	0	54	0.0	-59.95	415.30	11.21	-48.74
CC1CC[NH+](CCCNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012710552	0	54	0.0	-56.00	396.98	9.11	-46.89
CC1CC[NH+](CCCNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012710553	0	55	0.0	-60.45	421.45	10.89	-49.56
CC1CC[NH+](CCCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012710554	0	51	0.0	-80.68	379.48	9.43	-71.25
CC1CC[NH+](CCCNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012710555	0	48	0.0	-83.43	368.78	8.44	-74.99
CC1CC[NH+](CCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012710556	0	54	0.0	-76.69	422.97	9.54	-67.15
CC1CC[NH+](CCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012710557	0	51	0.0	-73.63	407.38	8.41	-65.22
CC1CC[NH+](CCCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012710558	0	51	0.0	-72.92	386.31	8.98	-63.94
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012710559	0	55	0.0	-78.19	421.53	9.15	-69.04
CC1CC[NH+](CCCNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300012710560	0	59	0.0	-78.70	445.83	10.81	-67.89
CC1CC[NH+](CCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012710561	0	51	0.0	-73.63	407.38	8.41	-65.22
CC1CC[NH+](CCCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012710562	0	55	0.0	-82.75	396.02	9.72	-73.03
COCCCC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710563	0	54	0.0	-73.33	413.53	6.23	-67.10
CCCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCC(C)CC1	REAL300012710564	0	53	0.0	-71.02	390.24	9.32	-61.70
CCOCC(NC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012710565	0	51	0.0	-75.21	391.59	5.60	-69.61
CC1CC[NH+](CCCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012710566	0	56	0.0	-74.52	409.20	8.79	-65.73
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012710567	0	55	0.0	-76.81	409.61	6.96	-69.85
CC1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012710568	0	55	0.0	-76.52	412.48	9.65	-66.87
CC1CC[NH+](CCCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012710569	0	52	0.0	-80.11	379.60	7.59	-72.52
CC1CC[NH+](CCCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012710570	0	54	0.0	-75.56	400.38	9.32	-66.24
CC1CC[NH+](CCCNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012710571	0	48	0.0	-75.21	379.21	6.90	-68.31
CC1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300012710572	0	65	0.0	-77.27	449.30	10.50	-66.77
CC1CC[NH+](CCCNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012710573	0	57	0.0	-78.59	446.70	9.66	-68.93
CC1CC[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012710574	0	51	0.0	-60.90	396.96	9.35	-51.55
CC1CC[NH+](CCCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012710575	0	62	0.0	-81.63	430.44	9.89	-71.74
CC1CC[NH+](CCCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012710576	0	53	0.0	-74.77	428.37	8.13	-66.64
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CCC(C)CC2)C1	REAL300012710577	0	55	0.0	-76.75	411.89	8.39	-68.36
CC(C)C[C@H](NC(=O)NCCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012710578	0	53	0.0	-76.73	411.75	8.82	-67.91
CC(C)C[C@H](NC(=O)NCCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012710578	1	53	0.0	-76.23	410.87	8.88	-67.35
C=CCOCC(NC(=O)NCCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012710579	0	52	0.0	-78.06	419.61	7.32	-70.74
C=CCOCC(NC(=O)NCCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012710579	1	52	0.0	-77.92	419.57	7.31	-70.61
C=CC(C)C(NC(=O)NCCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012710580	0	51	0.0	-76.95	397.76	8.44	-68.51
C=CC(C)C(NC(=O)NCCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012710580	1	51	0.0	-76.82	397.79	8.44	-68.38
C[N@H+](CCCNC(=O)NC(C(=O)[O-])C1CCOCC1)CC1=CC=CC=C1	REAL300012710581	0	55	0.0	-79.15	416.92	7.38	-71.77
C[N@@H+](CCCNC(=O)NC(C(=O)[O-])C1CCOCC1)CC1=CC=CC=C1	REAL300012710581	1	55	0.0	-77.58	423.07	7.56	-70.02
C[N@H+](CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)CC1=CC=CC=C1	REAL300012710582	0	51	0.0	-72.39	421.87	9.72	-62.67
C[N@@H+](CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)CC1=CC=CC=C1	REAL300012710582	1	51	0.0	-71.74	421.23	9.74	-62.00
COC1CCN(C(=O)NCCC[N@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012710583	0	55	0.0	-85.86	413.18	9.55	-76.31
COC1CCN(C(=O)NCCC[N@@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012710583	1	55	0.0	-85.90	413.17	9.54	-76.36
C[N@H+](CCCNC(=O)NC(C(=O)[O-])C1CCCOC1)CC1=CC=CC=C1	REAL300012710584	0	55	0.0	-75.68	417.46	7.33	-68.35
C[N@@H+](CCCNC(=O)NC(C(=O)[O-])C1CCCOC1)CC1=CC=CC=C1	REAL300012710584	1	55	0.0	-74.98	416.84	7.41	-67.57
CC1CCN(C(=O)NCCC[N@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012710585	0	54	0.0	-86.20	404.00	11.34	-74.86
CC1CCN(C(=O)NCCC[N@@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300012710585	1	54	0.0	-84.99	396.89	10.79	-74.20
CC1=CC(C(NC(=O)NCCC[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300012710586	0	54	0.0	-74.47	435.63	10.37	-64.10
CC1=CC(C(NC(=O)NCCC[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300012710586	1	54	0.0	-74.17	435.28	10.32	-63.85
C[N@H+](CCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)CC1=CC=CC=C1	REAL300012710587	0	56	0.0	-77.44	445.06	9.43	-68.01
C[N@@H+](CCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)CC1=CC=CC=C1	REAL300012710587	1	56	0.0	-77.98	445.11	9.44	-68.54
CC1=CC(C)=CC(C(NC(=O)NCCC[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012710588	0	57	0.0	-78.67	451.99	10.91	-67.76
CC1=CC(C)=CC(C(NC(=O)NCCC[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300012710588	1	57	0.0	-78.82	452.04	10.92	-67.90
CC1=CC=C(C(NC(=O)NCCC[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012710589	0	57	0.0	-78.29	447.34	10.88	-67.41
CC1=CC=C(C(NC(=O)NCCC[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300012710589	1	57	0.0	-78.80	447.55	10.80	-68.00
CC1=CC=CC(C(NC(=O)NCCC[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012710590	0	57	0.0	-77.46	438.57	10.68	-66.78
CC1=CC=CC(C(NC(=O)NCCC[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300012710590	1	57	0.0	-77.21	438.20	10.61	-66.60
CCCN(CC(=O)[O-])C(=O)NCCC[N@H+](C)CC1=CC=CC=C1	REAL300012710591	0	50	0.0	-62.62	392.38	10.09	-52.53
CCCN(CC(=O)[O-])C(=O)NCCC[N@@H+](C)CC1=CC=CC=C1	REAL300012710591	1	50	0.0	-63.01	392.42	10.09	-52.92
CC(C(=O)[O-])N(C(=O)NCCC[N@H+](C)CC1=CC=CC=C1)C1CCC1	REAL300012710592	0	54	0.0	-64.81	405.53	10.49	-54.32
CC(C(=O)[O-])N(C(=O)NCCC[N@@H+](C)CC1=CC=CC=C1)C1CCC1	REAL300012710592	1	54	0.0	-64.25	405.18	10.44	-53.81
CCCN(C(=O)NCCC[N@H+](C)CC1=CC=CC=C1)C(COC)C(=O)[O-]	REAL300012710593	0	57	0.0	-79.48	434.37	11.08	-68.40
CCCN(C(=O)NCCC[N@@H+](C)CC1=CC=CC=C1)C(COC)C(=O)[O-]	REAL300012710593	1	57	0.0	-79.52	434.31	11.07	-68.45
CCCN(C(=O)NCCC[N@H+](C)CC1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012710594	0	56	0.0	-56.95	417.14	11.75	-45.20
CCCN(C(=O)NCCC[N@@H+](C)CC1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012710594	1	56	0.0	-77.92	421.20	11.72	-66.20
CC(C)C(NC(=O)NCCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012710595	0	50	0.0	-76.97	385.06	7.85	-69.12
CC(C)C(NC(=O)NCCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012710595	1	50	0.0	-75.19	387.17	8.06	-67.13
C[N@H+](CCCNC(=O)N1CCCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012710596	0	51	0.0	-86.01	383.07	10.72	-75.29
C[N@@H+](CCCNC(=O)N1CCCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012710596	1	51	0.0	-85.98	383.10	10.71	-75.27
C[N@H+](CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)CC1=CC=CC=C1	REAL300012710597	0	51	0.0	-74.55	425.86	10.12	-64.43
C[N@@H+](CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)CC1=CC=CC=C1	REAL300012710597	1	51	0.0	-74.41	425.82	10.11	-64.30
C[N@H+](CCCNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012710598	0	49	0.0	-83.13	382.90	10.56	-72.57
C[N@@H+](CCCNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012710598	1	49	0.0	-82.75	382.65	10.46	-72.29
C[N@H+](CCCNC(=O)NC1(C(=O)[O-])CCCCC1)CC1=CC=CC=C1	REAL300012710599	0	54	0.0	-79.64	402.51	9.73	-69.91
C[N@@H+](CCCNC(=O)NC1(C(=O)[O-])CCCCC1)CC1=CC=CC=C1	REAL300012710599	1	54	0.0	-79.86	402.52	9.74	-70.12
C[N@H+](CCCNC(=O)N1CCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300012710600	0	48	0.0	-82.36	371.75	9.43	-72.93
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C[N@@H+](CCCNC(=O)N1CCC(F)(F)C1C(=O)[O-])CC1=CC=CC=C1	REAL300012710860	1	48	0.0	-85.77	383.43	9.57	-76.20
C[N@H+](CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012710861	0	54	0.0	-79.11	437.59	10.67	-68.44
C[N@@H+](CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012710861	1	54	0.0	-74.44	437.83	10.61	-63.83
C[N@H+](CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012710862	0	51	0.0	-76.51	421.41	9.47	-67.04
C[N@@H+](CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012710862	1	51	0.0	-76.28	422.07	9.53	-66.75
C[N@H+](CCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012710863	0	51	0.0	-75.58	400.93	10.10	-65.48
C[N@@H+](CCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300012710863	1	51	0.0	-75.39	400.98	10.11	-65.28
C[N@H+](CCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)CC1=CC=CC=C1	REAL300012710864	0	55	0.0	-80.51	436.17	10.28	-70.23
C[N@@H+](CCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)CC1=CC=CC=C1	REAL300012710864	1	55	0.0	-80.61	436.18	10.27	-70.34
C[N@H+](CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012710865	0	51	0.0	-76.51	421.41	9.47	-67.04
C[N@@H+](CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300012710865	1	51	0.0	-76.28	422.07	9.53	-66.75
C[N@H+](CCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012710866	0	55	0.0	-85.14	410.19	10.81	-74.33
C[N@@H+](CCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300012710866	1	55	0.0	-85.33	410.24	10.82	-74.51
COCCCC(NC(=O)NCCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012710867	0	54	0.0	-75.15	427.29	7.37	-67.78
COCCCC(NC(=O)NCCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012710867	1	54	0.0	-75.98	428.16	7.36	-68.62
CCCC(C(=O)[O-])N(C)C(=O)NCCC[N@H+](C)CC1=CC=CC=C1	REAL300012710868	0	53	0.0	-73.71	404.83	10.44	-63.27
CCCC(C(=O)[O-])N(C)C(=O)NCCC[N@@H+](C)CC1=CC=CC=C1	REAL300012710868	1	53	0.0	-73.85	404.87	10.44	-63.41
CCOCC(NC(=O)NCCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012710869	0	51	0.0	-78.23	406.67	6.73	-71.50
CCOCC(NC(=O)NCCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300012710869	1	51	0.0	-78.46	406.70	6.74	-71.72
C[N@H+](CCCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012710870	0	56	0.0	-76.51	423.59	9.97	-66.54
C[N@@H+](CCCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1=CC=CC=C1	REAL300012710870	1	56	0.0	-76.78	423.54	9.98	-66.80
C[N@H+](CCCNC(=O)NC(C(=O)[O-])C1CCCCO1)CC1=CC=CC=C1	REAL300012710871	0	55	0.0	-79.63	424.24	8.08	-71.55
C[N@@H+](CCCNC(=O)NC(C(=O)[O-])C1CCCCO1)CC1=CC=CC=C1	REAL300012710871	1	55	0.0	-79.40	424.29	8.09	-71.31
C[N@H+](CCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)CC1=CC=CC=C1	REAL300012710872	0	55	0.0	-78.82	427.11	10.78	-68.04
C[N@@H+](CCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)CC1=CC=CC=C1	REAL300012710872	1	55	0.0	-80.07	428.49	10.91	-69.16
C[C@H]1OCCN(C(=O)NCCC[N@H+](C)CC2=CC=CC=C2)[C@@H]1C(=O)[O-]	REAL300012710873	0	52	0.0	-84.18	394.52	9.01	-75.17
C[C@H]1OCCN(C(=O)NCCC[N@@H+](C)CC2=CC=CC=C2)[C@@H]1C(=O)[O-]	REAL300012710873	1	52	0.0	-84.22	394.41	9.01	-75.21
C[N@H+](CCCNC(=O)NC(CCC#N)C(=O)[O-])CC1=CC=CC=C1	REAL300012710874	0	48	0.0	-77.42	393.01	8.03	-69.39
C[N@@H+](CCCNC(=O)NC(CCC#N)C(=O)[O-])CC1=CC=CC=C1	REAL300012710874	1	48	0.0	-77.21	392.96	8.03	-69.18
C[N@H+](CCCNC(=O)N(CC(=O)[O-])CC1=CC=CO1)CC1=CC=CC=C1	REAL300012710875	0	51	0.0	-64.04	411.58	10.47	-53.57
C[N@@H+](CCCNC(=O)N(CC(=O)[O-])CC1=CC=CO1)CC1=CC=CC=C1	REAL300012710875	1	51	0.0	-64.56	406.04	10.24	-54.32
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[N@H+](C)CC1=CC=CC=C1	REAL300012710876	0	47	0.0	-73.27	363.00	8.52	-64.75
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[N@@H+](C)CC1=CC=CC=C1	REAL300012710876	1	47	0.0	-72.65	364.02	8.58	-64.07
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[N@H+](C)CC2=CC=CC=C2)C1	REAL300012710877	0	55	0.0	-79.22	426.11	9.48	-69.74
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[N@@H+](C)CC2=CC=CC=C2)C1	REAL300012710877	1	55	0.0	-82.78	426.87	9.40	-73.38
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1	REAL300012710878	0	60	0.0	-66.02	455.72	8.58	-57.44
COC1=CC=C(N2CC[NH+](CCCNC(=O)NC(C(=O)[O-])C(C)C)CC2)C=C1	REAL300012710879	0	60	0.0	-79.34	450.47	6.55	-72.79
COC1=CC=C(N2CC[NH+](CCCNC(=O)N3CCCC3C(=O)[O-])CC2)C=C1	REAL300012710880	0	58	0.0	-86.87	435.05	7.92	-78.95
COC1=CC=C(N2CC[NH+](CCCNC(=O)NCC(=O)[O-])CC2)C=C1	REAL300012710881	0	51	0.0	-71.43	393.67	4.17	-67.26
CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1)C(=O)[O-]	REAL300012710882	0	57	0.0	-80.78	436.29	6.01	-74.77
COC1=CC=C(N2CC[NH+](CCCNC(=O)NC(C(=O)[O-])C(C)C)CC2)C=C1	REAL300012710883	0	60	0.0	-79.34	450.47	6.55	-72.79
COC1=CC=C(N2CC[NH+](CCCNC(=O)N(C)CC(=O)[O-])CC2)C=C1	REAL300012710884	0	54	0.0	-80.27	412.41	6.84	-73.43
COC1=CC=C(N2CC[NH+](CCCNC(=O)NC(C)C(=O)[O-])CC2)C=C1	REAL300012710885	0	54	0.0	-71.88	414.46	4.99	-66.89
COC1=CC=C(N2CC[NH+](CCCNC(=O)N(C)CC(=O)[O-])CC2)C=C1	REAL300012710886	0	54	0.0	-80.27	412.41	6.84	-73.43
COC1=CC=C(N2CC[NH+](CCCNC(=O)N(CC(=O)[O-])C(C)C)CC2)C=C1	REAL300012710887	0	60	0.0	-67.03	444.35	8.10	-58.93
COC1=CC=C(N2CC[NH+](CCCNC(=O)N(CC(=O)[O-])C3CC3)CC2)C=C1	REAL300012710888	0	58	0.0	-67.93	437.48	8.34	-59.59
C=CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1	REAL300012710889	0	58	0.0	-65.87	447.03	8.38	-57.49
COC1=CC=C(N2CC[NH+](CCCNC(=O)NC(C)(C)C(=O)[O-])CC2)C=C1	REAL300012710890	0	57	0.0	-70.37	427.03	5.39	-64.98
COC1=CC=C(N2CC[NH+](CCCNC(=O)N(CC(=O)[O-])C(C)C)CC2)C=C1	REAL300012710891	0	60	0.0	-67.03	444.35	8.10	-58.93
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1	REAL300012710892	0	60	0.0	-66.02	455.72	8.58	-57.44
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1	REAL300012710893	0	57	0.0	-80.42	434.22	7.82	-72.60
CCC(C)(NC(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1)C(=O)[O-]	REAL300012710894	0	60	0.0	-79.95	440.43	6.39	-73.56
COC1=CC=C(N2CC[NH+](CCCNC(=O)N[C@@H](C)C(=O)[O-])CC2)C=C1	REAL300012710895	0	54	0.0	-71.88	414.46	4.99	-66.89
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1	REAL300012710896	0	57	0.0	-80.42	434.22	7.82	-72.60
COC1=CC=C(N2CC[NH+](CCCNC(=O)N[C@H](C)C(=O)[O-])CC2)C=C1	REAL300012710897	0	54	0.0	-71.92	414.46	4.99	-66.93
COC1=CC=C(N2CC[NH+](CCCNC(=O)NC3(C(=O)[O-])CC3)CC2)C=C1	REAL300012710898	0	55	0.0	-85.91	420.62	6.20	-79.71
COC1=CC=C(N2CC[NH+](CCCNC(=O)NC(C(=O)[O-])C3CC3)CC2)C=C1	REAL300012710899	0	58	0.0	-82.21	442.67	6.51	-75.70
COC1=CC=C(N2CC[NH+](CCCNC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)C=C1	REAL300012710900	0	58	0.0	-87.05	435.81	7.61	-79.44
COC1=CC=C(N2CC[NH+](CCCNC(=O)N(C)[C@H](C)C(=O)[O-])CC2)C=C1	REAL300012710901	0	57	0.0	-76.90	426.81	6.97	-69.93
COC1=CC=C(N2CC[NH+](CCCNC(=O)N3CCC[C@H]3C(=O)[O-])CC2)C=C1	REAL300012710902	0	58	0.0	-86.85	435.04	7.93	-78.92
COC1=CC=C(N2CC[NH+](CCCNC(=O)NC3(C(=O)[O-])CCC3)CC2)C=C1	REAL300012710903	0	58	0.0	-85.29	437.53	6.71	-78.58
C=CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1)C(=O)[O-]	REAL300012710904	0	58	0.0	-79.48	448.77	6.47	-73.01
COC1=CC=C(N2CC[NH+](CCCNC(=O)NC(C(=O)[O-])C3CC3)CC2)C=C1	REAL300012710905	0	58	0.0	-82.21	442.67	6.51	-75.70
COC1=CC=C(N2CC[NH+](CCCNC(=O)N(C)C(C)C(=O)[O-])CC2)C=C1	REAL300012710906	0	57	0.0	-77.32	426.38	7.07	-70.25
COCC(NC(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1)C(=O)[O-]	REAL300012710907	0	58	0.0	-82.15	448.15	4.24	-77.91
COC1=CC=C(N2CC[NH+](CCCNC(=O)N(CC(=O)[O-])C3CC3)CC2)C=C1	REAL300012710908	0	58	0.0	-67.93	437.48	8.34	-59.59
COC1=CC=C(N2CC[NH+](CCCNC(=O)NC(CF)C(=O)[O-])CC2)C=C1	REAL300012710909	0	54	0.0	-69.26	417.91	5.03	-64.23
COC1=CC=C(N2CC[NH+](CCCNC(=O)N(C)C(C)C(=O)[O-])CC2)C=C1	REAL300012710910	0	57	0.0	-77.32	426.38	7.07	-70.25
COC1=CC=C(N2CC[NH+](CCCNC(=O)NC(CCF)C(=O)[O-])CC2)C=C1	REAL300012710911	0	57	0.0	-79.58	442.88	6.15	-73.43
COC1=CC=C(N2CC[NH+](CCCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC2)C=C1	REAL300012710912	0	57	0.0	-77.32	426.38	7.07	-70.25
COC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1)C(=O)[O-]	REAL300012710913	0	58	0.0	-81.64	447.66	4.24	-77.40
CC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1)C(=O)[O-]	REAL300012710914	0	57	0.0	-81.01	436.29	6.02	-74.99
COC1=CC=C(N2CC[NH+](CCCNC(=O)N3CCC[C@@H]3C(=O)[O-])CC2)C=C1	REAL300012710915	0	58	0.0	-87.05	435.81	7.61	-79.44
CCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1)C(=O)[O-]	REAL300012710916	0	60	0.0	-80.04	456.96	6.79	-73.25
COC1=CC=C(N2CC[NH+](CCCNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC2)C=C1	REAL300012710917	0	60	0.0	-80.35	447.74	6.42	-73.93
COC1=CC=C(N2CC[NH+](CCCNC(=O)N(C)C(C)(C)C(=O)[O-])CC2)C=C1	REAL300012710918	0	60	0.0	-83.55	441.52	7.90	-75.65
COC1=CC=C(N2CC[NH+](CCCNC(=O)N3CCC[C@H]3C(=O)[O-])CC2)C=C1	REAL300012710919	0	58	0.0	-86.85	435.04	7.93	-78.92
CCC[C@@H](NC(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1)C(=O)[O-]	REAL300012710920	0	60	0.0	-80.79	457.79	6.77	-74.02
COC1=CC=C(N2CC[NH+](CCCNC(=O)N[C@H](C(=O)[O-])C(C)C)CC2)C=C1	REAL300012710921	0	60	0.0	-81.18	453.33	6.58	-74.60
COC1=CC=C(N2CC[NH+](CCCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC2)C=C1	REAL300012710922	0	57	0.0	-77.32	426.38	7.07	-70.25
CCC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1)C(=O)[O-]	REAL300012710923	0	60	0.0	-80.68	457.79	6.77	-73.91
CCN(C(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1)C(C)C(=O)[O-]	REAL300012710924	0	60	0.0	-81.61	447.07	8.54	-73.07
COC1=CC=C(N2CC[NH+](CCCNC(=O)N(C)CC(C)C(=O)[O-])CC2)C=C1	REAL300012710925	0	60	0.0	-82.02	446.64	7.48	-74.54
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1	REAL300012710926	0	60	0.0	-77.88	446.68	8.16	-69.72
C=CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=C(OC)C=C2)CC1)C(=O)[O-]	REAL300012710927	0	58	0.0	-79.48	448.77	6.47	-73.01
COC1=CC=C(N2CC[NH+](CCCNC(=O)NC3(C(=O)[O-])COC3)CC2)C=C1	REAL300012710928	0	56	0.0	-79.18	428.24	3.76	-75.42
COC1=CC=C(N2CC[NH+](CCCNC(=O)N(C)[C@H](C)C(=O)[O-])CC2)C=C1	REAL300012710929	0	57	0.0	-76.90	426.81	6.97	-69.93
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2COC3=CC=CC=C3C2)CC1	REAL300012711108	0	58	0.0	-64.78	442.48	8.10	-56.68
COCCOCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012711366	0	57	0.0	-62.02	436.71	4.23	-57.79
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300012711484	0	56	0.0	-78.42	430.05	9.46	-68.96
C=CCOCC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711485	0	55	0.0	-80.48	431.67	7.60	-72.88
C=CC(C)C(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711486	0	54	0.0	-75.97	420.17	9.23	-66.74
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300012711487	0	58	0.0	-81.90	430.12	7.58	-74.32
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC(OC)CC2C(=O)[O-])C=C1	REAL300012711488	0	58	0.0	-89.56	433.04	10.11	-79.45
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)C=C1	REAL300012711489	0	58	0.0	-76.49	435.23	8.04	-68.45
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC(C)CC2C(=O)[O-])C=C1	REAL300012711490	0	57	0.0	-89.25	407.05	11.07	-78.18
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300012711491	0	60	0.0	-81.08	470.30	11.54	-69.54
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1	REAL300012711492	0	60	0.0	-80.72	459.38	11.16	-69.56
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C=C1	REAL300012711493	0	60	0.0	-80.49	451.19	10.89	-69.60
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1	REAL300012711494	0	53	0.0	-65.46	410.77	10.73	-54.73
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C(C)C(=O)[O-])C2CCC2)C=C1	REAL300012711495	0	57	0.0	-64.56	417.09	10.66	-53.90
CCCN(C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(COC)C(=O)[O-]	REAL300012711496	0	60	0.0	-76.04	441.83	10.01	-66.03
CCCN(C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(CC)C(=O)[O-]	REAL300012711497	0	59	0.0	-83.17	443.50	12.61	-70.56
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300012711498	0	53	0.0	-78.41	404.03	8.46	-69.95
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300012711499	0	54	0.0	-89.97	394.39	10.94	-79.03
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300012711500	0	52	0.0	-85.98	400.89	11.20	-74.78
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300012711501	0	57	0.0	-83.06	420.86	10.35	-72.71
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCCC2C(=O)[O-])C=C1	REAL300012711502	0	51	0.0	-85.31	383.81	9.72	-75.59
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300012711503	0	54	0.0	-83.70	399.49	8.88	-74.82
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300012711504	0	60	0.0	-83.75	426.52	11.02	-72.73
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012711505	0	57	0.0	-79.64	449.58	11.22	-68.42
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012711506	0	57	0.0	-66.22	441.97	12.63	-53.59
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012711507	0	54	0.0	-79.84	427.27	10.30	-69.54
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012711508	0	54	0.0	-79.72	420.96	9.96	-69.76
CCC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711509	0	50	0.0	-77.75	391.10	8.20	-69.55
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300012711510	0	53	0.0	-78.41	404.03	8.46	-69.95
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C1	REAL300012711511	0	47	0.0	-77.15	361.18	8.64	-68.51
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012711512	0	57	0.0	-79.64	449.58	11.22	-68.42
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C)C(=O)[O-])C=C1	REAL300012711513	0	47	0.0	-67.16	363.21	6.78	-60.38
CCC(C)C(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711514	0	56	0.0	-77.27	423.54	9.29	-67.98
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)CC(=O)[O-])C=C1	REAL300012711515	0	47	0.0	-77.15	361.18	8.64	-68.51
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300012711516	0	54	0.0	-89.97	394.39	10.94	-79.03
CCCC(C)(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711517	0	56	0.0	-79.48	416.98	9.27	-70.21
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300012711518	0	53	0.0	-66.77	391.95	9.85	-56.92
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300012711519	0	51	0.0	-63.42	392.32	10.46	-52.96
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1	REAL300012711520	0	51	0.0	-65.20	402.08	10.52	-54.68
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300012711521	0	56	0.0	-65.89	419.15	10.90	-54.99
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300012711522	0	58	0.0	-89.89	439.07	13.31	-76.58
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300012711523	0	50	0.0	-65.21	375.79	7.18	-58.03
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300012711524	0	54	0.0	-80.91	398.69	8.93	-71.98
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C=C1	REAL300012711525	0	51	0.0	-77.77	412.20	8.99	-68.78
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300012711526	0	57	0.0	-83.06	420.86	10.35	-72.71
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300012711527	0	53	0.0	-66.77	391.95	9.85	-56.92
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1	REAL300012711528	0	53	0.0	-65.46	410.77	10.73	-54.73
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1	REAL300012711529	0	50	0.0	-77.59	389.27	9.97	-67.62
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711530	0	56	0.0	-78.38	414.64	8.74	-69.64
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300012711531	0	54	0.0	-83.70	399.49	8.88	-74.82
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300012711532	0	53	0.0	-79.22	389.18	8.17	-71.05
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=C1	REAL300012711533	0	58	0.0	-82.63	439.17	11.05	-71.58
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012711534	0	57	0.0	-81.42	435.23	11.00	-70.42
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300012711535	0	47	0.0	-67.15	363.22	6.78	-60.37
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1	REAL300012711536	0	50	0.0	-77.59	389.27	9.97	-67.62
CCCCCCC(C)(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711537	0	65	0.0	-79.74	481.47	11.61	-68.13
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012711538	0	60	0.0	-75.92	452.68	12.85	-63.07
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300012711539	0	47	0.0	-66.97	363.23	6.78	-60.19
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300012711540	0	48	0.0	-84.66	375.68	8.34	-76.32
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300012711541	0	52	0.0	-85.80	391.70	8.64	-77.16
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C=C1	REAL300012711542	0	60	0.0	-84.46	429.37	11.75	-72.71
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300012711543	0	51	0.0	-78.92	394.81	8.34	-70.58
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300012711544	0	60	0.0	-66.85	464.51	13.40	-53.45
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012711545	0	57	0.0	-78.15	429.68	12.17	-65.98
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300012711546	0	54	0.0	-66.05	420.64	9.14	-56.91
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C=C1	REAL300012711547	0	58	0.0	-86.75	442.52	11.34	-75.41
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300012711548	0	51	0.0	-85.42	384.59	9.41	-76.01
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300012711549	0	54	0.0	-88.75	393.03	10.68	-78.07
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C=C1	REAL300012711550	0	50	0.0	-72.68	382.36	9.22	-63.46
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300012711551	0	51	0.0	-85.01	389.82	10.05	-74.96
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300012711552	0	51	0.0	-83.94	392.46	8.85	-75.09
C=CCC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711553	0	51	0.0	-77.53	398.34	8.25	-69.28
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300012711554	0	54	0.0	-85.11	407.23	10.60	-74.51
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCCCCC2C(=O)[O-])C=C1	REAL300012711555	0	57	0.0	-86.97	408.32	11.53	-75.44
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300012711556	0	51	0.0	-78.92	394.81	8.34	-70.58
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300012711557	0	50	0.0	-73.03	381.30	9.15	-63.88
CCCCC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711558	0	56	0.0	-77.96	434.34	9.69	-68.27
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300012711559	0	60	0.0	-66.85	464.51	13.40	-53.45
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300012711560	0	54	0.0	-85.01	407.25	10.59	-74.42
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300012711561	0	57	0.0	-64.70	419.33	11.19	-53.51
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(COC)C(=O)[O-])C=C1	REAL300012711562	0	51	0.0	-79.51	396.90	6.05	-73.46
CCCCCC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711563	0	59	0.0	-77.57	455.59	10.53	-67.04
CCC1CCC(NC(=O)NCC2=CC=C(C[NH+](CC)CC)C=C2)(C(=O)[O-])CC1	REAL300012711564	0	63	0.0	-82.99	459.91	11.61	-71.38
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C=C1	REAL300012711565	0	58	0.0	-65.65	434.06	9.86	-55.79
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C=C1	REAL300012711566	0	57	0.0	-85.83	410.54	10.61	-75.22
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300012711567	0	54	0.0	-65.51	405.97	10.51	-55.00
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C1CC1	REAL300012711568	0	57	0.0	-65.39	427.40	11.75	-53.64
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300012711569	0	54	0.0	-85.06	431.67	10.38	-74.68
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300012711570	0	58	0.0	-67.90	436.13	12.30	-55.60
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300012711571	0	63	0.0	-78.91	471.68	11.36	-67.55
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)C=C1	REAL300012711572	0	60	0.0	-66.88	461.82	13.38	-53.50
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C=C1	REAL300012711573	0	57	0.0	-79.83	442.40	10.63	-69.20
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012711574	0	50	0.0	-72.22	407.03	8.91	-63.31
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300012711575	0	55	0.0	-78.61	412.29	9.71	-68.90
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300012711576	0	54	0.0	-83.09	413.72	7.80	-75.29
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1	REAL300012711577	0	57	0.0	-74.38	433.73	9.46	-64.92
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300012711578	0	56	0.0	-65.89	419.15	10.90	-54.99
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300012711579	0	51	0.0	-63.42	392.32	10.46	-52.96
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300012711580	0	53	0.0	-64.54	428.90	11.11	-53.43
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300012711581	0	52	0.0	-78.45	396.99	6.65	-71.80
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1	REAL300012711582	0	60	0.0	-79.82	444.47	10.43	-69.39
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C=C1	REAL300012711583	0	61	0.0	-74.66	460.88	10.87	-63.79
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300012711584	0	55	0.0	-81.79	406.02	7.52	-74.27
C=CCCC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711585	0	54	0.0	-77.25	419.12	9.19	-68.06
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=C1	REAL300012711586	0	47	0.0	-65.25	366.83	6.79	-58.46
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])C=C1	REAL300012711587	0	60	0.0	-61.37	452.21	13.61	-47.76
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300012711588	0	50	0.0	-73.03	381.30	9.15	-63.88
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300012711589	0	56	0.0	-80.45	411.86	9.41	-71.04
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)C=C1	REAL300012711590	0	58	0.0	-79.32	450.08	9.19	-70.13
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1	REAL300012711591	0	56	0.0	-64.23	415.84	11.13	-53.10
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC)(COC)C(=O)[O-])C=C1	REAL300012711592	0	57	0.0	-84.59	430.17	8.71	-75.88
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)C(COC(C)C)C(=O)[O-])C=C1	REAL300012711593	0	60	0.0	-74.78	448.31	9.97	-64.81
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300012711594	0	54	0.0	-78.16	423.46	9.57	-68.59
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300012711595	0	54	0.0	-77.40	418.48	6.93	-70.47
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])C=C1	REAL300012711596	0	59	0.0	-74.63	433.93	11.27	-63.36
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300012711597	0	50	0.0	-76.46	403.45	8.49	-67.97
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1	REAL300012711598	0	60	0.0	-88.04	435.59	12.23	-75.81
CCCN(C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(C)C(=O)[O-]	REAL300012711599	0	56	0.0	-73.71	413.04	10.38	-63.33
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C=C1	REAL300012711600	0	60	0.0	-62.43	453.61	13.68	-48.75
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012711601	0	60	0.0	-82.27	452.16	11.86	-70.41
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=C1	REAL300012711602	0	50	0.0	-76.11	397.93	8.29	-67.82
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2(OC)CCC2)C(=O)[O-])C=C1	REAL300012711603	0	61	0.0	-80.67	453.92	9.10	-71.57
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)C=C1	REAL300012711604	0	58	0.0	-65.65	434.06	9.86	-55.79
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)C=C1	REAL300012711605	0	60	0.0	-65.44	443.00	12.24	-53.20
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C=C1	REAL300012711606	0	60	0.0	-83.44	428.36	10.40	-73.04
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300012711607	0	58	0.0	-82.51	450.73	9.16	-73.35
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300012711608	0	53	0.0	-75.63	402.07	8.65	-66.98
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=C1	REAL300012711609	0	55	0.0	-69.40	423.88	10.81	-58.59
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C=C1	REAL300012711610	0	51	0.0	-78.31	398.95	9.46	-68.85
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300012711611	0	58	0.0	-82.29	457.00	9.51	-72.78
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300012711612	0	50	0.0	-72.80	376.07	8.87	-63.93
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=C1	REAL300012711613	0	63	0.0	-84.51	448.64	11.22	-73.29
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300012711614	0	52	0.0	-90.69	391.05	10.36	-80.33
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC(OC)CC2(C)C(=O)[O-])C=C1	REAL300012711615	0	58	0.0	-84.85	434.21	9.24	-75.61
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C=C1	REAL300012711616	0	61	0.0	-77.97	456.21	8.70	-69.27
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300012711617	0	56	0.0	-78.72	421.47	9.33	-69.39
C=C(Cl)CC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711618	0	51	0.0	-74.46	413.53	8.92	-65.54
C=C(C)CC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711619	0	54	0.0	-78.49	424.48	9.46	-69.03
CC[NH+](CC)CC1=CC=C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300012711620	0	55	0.0	-93.46	412.69	11.46	-82.00
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300012711621	0	51	0.0	-77.36	403.06	10.24	-67.12
CC[NH+](CC)CC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300012711622	0	51	0.0	-81.90	396.57	10.15	-71.75
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+](CC)CC)C=C2)C1	REAL300012711623	0	52	0.0	-85.24	404.34	10.12	-75.12
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300012711624	0	61	0.0	-77.67	452.31	9.28	-68.39
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300012711625	0	56	0.0	-78.42	430.05	9.46	-68.96
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300012711626	0	58	0.0	-81.90	430.12	7.58	-74.32
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012711627	0	54	0.0	-79.72	420.96	9.96	-69.76
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300012711628	0	54	0.0	-78.16	423.46	9.57	-68.59
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C=C1	REAL300012711629	0	53	0.0	-76.95	436.30	8.33	-68.62
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CCCC(C)C)C(=O)[O-])C=C1	REAL300012711630	0	62	0.0	-77.63	473.16	11.05	-66.58
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])C=C1	REAL300012711631	0	58	0.0	-82.52	441.01	8.26	-74.26
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CSC)C(=O)[O-])C=C1	REAL300012711632	0	51	0.0	-76.00	408.74	8.14	-67.86
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300012711633	0	51	0.0	-79.49	403.20	6.39	-73.10
CC[C@H](NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711634	0	50	0.0	-78.18	385.06	7.80	-70.38
CCC(C)CC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711635	0	59	0.0	-78.55	447.68	10.15	-68.40
C=CCCCC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711636	0	57	0.0	-77.97	447.15	10.26	-67.71
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300012711637	0	52	0.0	-85.98	400.89	11.20	-74.78
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012711638	0	57	0.0	-81.42	435.23	11.00	-70.42
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300012711639	0	51	0.0	-85.42	384.59	9.41	-76.01
CCCC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711640	0	53	0.0	-77.66	412.60	8.97	-68.69
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300012711641	0	53	0.0	-78.46	397.16	8.13	-70.33
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=C1	REAL300012711642	0	55	0.0	-91.74	404.15	11.27	-80.47
CCN(C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(C)(C)C(=O)[O-]	REAL300012711643	0	56	0.0	-82.46	408.80	10.52	-71.94
CCCN(C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(C)C(=O)[O-]	REAL300012711644	0	56	0.0	-73.71	413.04	10.38	-63.33
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=C1	REAL300012711645	0	50	0.0	-72.66	403.88	10.46	-62.20
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=C1	REAL300012711646	0	50	0.0	-72.66	403.88	10.46	-62.20
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300012711647	0	53	0.0	-82.36	396.62	10.01	-72.35
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300012711648	0	51	0.0	-85.01	389.82	10.05	-74.96
CC[NH+](CC)CC1=CC=C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C=C1	REAL300012711649	0	52	0.0	-86.87	402.12	6.36	-80.51
CC[NH+](CC)CC1=CC=C(CNC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])C=C1	REAL300012711650	0	58	0.0	-64.83	443.31	13.07	-51.76
CCC[C@@H](NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711651	0	53	0.0	-77.86	406.56	8.56	-69.30
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012711652	0	54	0.0	-79.84	427.27	10.30	-69.54
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300012711653	0	59	0.0	-79.06	461.10	9.89	-69.17
C=CCCC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711654	0	54	0.0	-77.25	419.12	9.19	-68.06
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300012711655	0	53	0.0	-80.77	436.04	8.23	-72.54
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C=C1	REAL300012711656	0	54	0.0	-93.28	414.30	7.27	-86.01
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C=C1	REAL300012711657	0	55	0.0	-78.43	417.16	9.06	-69.37
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300012711658	0	54	0.0	-85.02	400.93	10.27	-74.75
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300012711659	0	53	0.0	-78.53	408.38	8.72	-69.81
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300012711660	0	54	0.0	-80.08	427.47	10.22	-69.86
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300012711661	0	57	0.0	-82.49	436.96	9.56	-72.93
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300012711662	0	50	0.0	-72.80	376.07	8.87	-63.93
CCC[C@H](NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711663	0	53	0.0	-77.64	405.72	8.58	-69.06
CCN(C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(C)C(=O)[O-]	REAL300012711664	0	53	0.0	-80.40	402.68	10.71	-69.69
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300012711665	0	57	0.0	-64.70	419.33	11.19	-53.51
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300012711666	0	53	0.0	-75.72	401.69	9.62	-66.10
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711667	0	56	0.0	-78.38	414.64	8.74	-69.64
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1	REAL300012711668	0	53	0.0	-73.12	402.95	10.34	-62.78
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C=C1	REAL300012711669	0	55	0.0	-84.37	424.74	6.13	-78.24
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C=C1	REAL300012711670	0	63	0.0	-80.40	474.09	9.46	-70.94
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC(C)C2)C=C1	REAL300012711671	0	57	0.0	-83.28	421.13	9.54	-73.74
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C=C1	REAL300012711672	0	60	0.0	-83.87	436.87	10.61	-73.26
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300012711673	0	54	0.0	-77.40	418.48	6.93	-70.47
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012711674	0	60	0.0	-75.92	452.68	12.85	-63.07
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300012711675	0	57	0.0	-84.75	428.68	10.56	-74.19
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300012711676	0	54	0.0	-79.50	419.63	9.20	-70.30
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C=C1	REAL300012711677	0	63	0.0	-80.55	468.58	9.04	-71.51
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C=C1	REAL300012711678	0	52	0.0	-91.92	395.81	6.18	-85.74
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOC2)C=C1	REAL300012711679	0	55	0.0	-78.22	411.82	6.84	-71.38
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1	REAL300012711680	0	55	0.0	-91.02	412.25	11.20	-79.82
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1	REAL300012711681	0	53	0.0	-86.28	404.61	8.85	-77.43
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC(C)CCC2C(=O)[O-])C=C1	REAL300012711682	0	57	0.0	-89.56	414.31	11.57	-77.99
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)C=C1	REAL300012711683	0	60	0.0	-78.31	464.99	11.57	-66.74
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300012711684	0	61	0.0	-78.28	463.20	11.29	-66.99
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300012711685	0	54	0.0	-79.29	418.11	9.20	-70.09
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1	REAL300012711686	0	60	0.0	-79.82	444.47	10.43	-69.39
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300012711687	0	54	0.0	-79.29	418.11	9.20	-70.09
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC(C)C2C(=O)[O-])C=C1	REAL300012711688	0	54	0.0	-86.73	405.19	10.02	-76.71
C=CCC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711689	0	51	0.0	-77.53	398.34	8.25	-69.28
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300012711690	0	61	0.0	-78.26	457.29	9.52	-68.74
CC[NH+](CC)CC1=CC=C(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=C1	REAL300012711691	0	61	0.0	-63.26	437.19	11.87	-51.39
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C=C1	REAL300012711692	0	61	0.0	-82.57	441.10	9.14	-73.43
CC[NH+](CC)CC1=CC=C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=C1	REAL300012711693	0	55	0.0	-65.53	412.87	11.07	-54.46
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300012711694	0	61	0.0	-78.28	463.20	11.29	-66.99
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(OC)C2)C=C1	REAL300012711695	0	55	0.0	-85.88	419.55	7.47	-78.41
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300012711696	0	51	0.0	-81.40	394.73	8.54	-72.86
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)C=C1	REAL300012711697	0	55	0.0	-79.95	423.94	7.73	-72.22
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCCC2(CC)C(=O)[O-])C=C1	REAL300012711698	0	57	0.0	-86.36	422.56	11.71	-74.65
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300012711699	0	50	0.0	-72.22	407.03	8.91	-63.31
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300012711700	0	58	0.0	-77.78	445.99	8.27	-69.51
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])COC2)C=C1	REAL300012711701	0	49	0.0	-77.31	383.44	5.87	-71.44
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C=C1	REAL300012711702	0	54	0.0	-79.25	441.64	10.22	-69.03
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C=C1	REAL300012711703	0	56	0.0	-79.93	404.11	8.79	-71.14
CC[NH+](CC)CC1=CC=C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012711704	0	52	0.0	-89.50	397.10	11.23	-78.27
CC[NH+](CC)CC1=CC=C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012711705	0	55	0.0	-86.98	407.46	10.49	-76.49
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C=C1	REAL300012711706	0	60	0.0	-62.43	453.61	13.68	-48.75
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300012711707	0	63	0.0	-78.91	471.68	11.36	-67.55
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012711708	0	60	0.0	-78.74	465.63	11.60	-67.14
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012711709	0	60	0.0	-78.91	466.46	11.59	-67.32
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300012711710	0	61	0.0	-81.03	447.33	10.45	-70.58
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300012711711	0	63	0.0	-78.61	471.43	11.42	-67.19
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300012711712	0	63	0.0	-78.96	465.39	11.01	-67.95
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=C1	REAL300012711713	0	61	0.0	-64.70	452.80	11.97	-52.73
CC[NH+](CC)CC1=CC=C(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012711714	0	61	0.0	-88.00	442.83	11.40	-76.60
C=CCSCC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711715	0	55	0.0	-75.61	442.79	9.67	-65.94
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1	REAL300012711716	0	56	0.0	-73.86	416.06	10.96	-62.90
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2(OC)CCC2)C=C1	REAL300012711717	0	58	0.0	-75.58	431.49	7.44	-68.14
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C=C1	REAL300012711718	0	54	0.0	-79.03	416.29	9.24	-69.79
CC[NH+](CC)CC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300012711720	0	51	0.0	-81.90	396.57	10.15	-71.75
CC[NH+](CC)CC1=CC=C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1	REAL300012711721	0	53	0.0	-64.71	406.19	10.87	-53.84
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1	REAL300012711722	0	57	0.0	-86.54	422.43	11.00	-75.54
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C=C1	REAL300012711723	0	61	0.0	-89.17	446.29	12.74	-76.43
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CCC(C)C)C(=O)[O-])C=C1	REAL300012711724	0	59	0.0	-78.15	451.90	10.21	-67.94
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1	REAL300012711725	0	58	0.0	-65.29	431.53	11.16	-54.13
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300012711726	0	58	0.0	-77.78	445.99	8.27	-69.51
CC[NH+](CC)CC1=CC=C(CNC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])C=C1	REAL300012711727	0	55	0.0	-83.06	434.36	11.03	-72.03
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1	REAL300012711728	0	58	0.0	-85.28	420.42	10.65	-74.63
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)C=C1	REAL300012711729	0	55	0.0	-84.77	407.67	9.75	-75.02
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300012711730	0	58	0.0	-83.46	435.08	10.48	-72.98
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300012711731	0	60	0.0	-76.76	460.30	13.12	-63.64
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCC2)C=C1	REAL300012711732	0	57	0.0	-79.07	433.13	9.85	-69.22
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300012711733	0	54	0.0	-79.42	414.92	7.11	-72.31
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)C=C1	REAL300012711734	0	54	0.0	-87.43	408.09	9.54	-77.89
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300012711735	0	57	0.0	-66.22	441.97	12.63	-53.59
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C=C1	REAL300012711736	0	57	0.0	-64.87	429.92	10.85	-54.02
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C=C1	REAL300012711737	0	54	0.0	-85.08	410.80	11.12	-73.96
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1	REAL300012711738	0	51	0.0	-87.35	395.50	9.85	-77.50
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012711739	0	54	0.0	-78.83	434.32	9.72	-69.11
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=C1	REAL300012711740	0	54	0.0	-76.90	419.29	10.72	-66.18
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300012711741	0	54	0.0	-78.83	434.32	9.72	-69.11
CC[NH+](CC)CC1=CC=C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300012711742	0	58	0.0	-87.90	429.04	11.23	-76.67
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CCCOC)C(=O)[O-])C=C1	REAL300012711743	0	57	0.0	-77.57	440.21	7.63	-69.94
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1	REAL300012711744	0	56	0.0	-73.29	424.32	11.06	-62.23
CCOCC(NC(=O)NCC1=CC=C(C[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300012711745	0	54	0.0	-79.80	418.63	7.07	-72.73
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300012711746	0	59	0.0	-78.57	441.94	10.56	-68.01
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCO2)C=C1	REAL300012711747	0	58	0.0	-81.91	441.83	8.29	-73.62
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=C1	REAL300012711748	0	58	0.0	-82.63	439.17	11.05	-71.58
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C=C1	REAL300012711749	0	55	0.0	-86.01	404.12	8.96	-77.05
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300012711750	0	51	0.0	-77.87	405.89	8.30	-69.57
CC[NH+](CC)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C=C1	REAL300012711751	0	54	0.0	-65.68	423.66	10.77	-54.91
CC[NH+](CC)CC1=CC=C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C=C1	REAL300012711752	0	50	0.0	-72.68	382.36	9.22	-63.46
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+](CC)CC)C=C2)C1	REAL300012711753	0	58	0.0	-81.93	439.25	9.56	-72.37
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711754	0	54	0.0	-75.78	429.08	9.81	-65.97
C=CCOCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711755	0	53	0.0	-81.86	437.06	8.22	-73.64
C=CC(C)C(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711756	0	52	0.0	-81.37	416.51	9.31	-72.06
CC1CCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C(C(=O)[O-])C1	REAL300012711757	0	55	0.0	-87.39	415.04	11.81	-75.58
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711758	0	51	0.0	-64.60	410.64	11.06	-53.54
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1CCC1	REAL300012711759	0	55	0.0	-69.30	423.62	11.46	-57.84
CCCN(C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(CC)C(=O)[O-]	REAL300012711760	0	57	0.0	-79.36	444.17	12.98	-66.38
CC(C)C(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711761	0	51	0.0	-79.32	406.05	9.04	-70.28
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711762	0	52	0.0	-87.99	401.58	11.63	-76.36
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711763	0	50	0.0	-81.33	400.95	11.40	-69.93
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCCCC1	REAL300012711764	0	55	0.0	-82.31	420.77	10.70	-71.61
O=C([O-])C1CCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711765	0	49	0.0	-85.63	390.87	10.01	-75.62
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCCC1	REAL300012711766	0	52	0.0	-78.41	406.27	9.59	-68.82
O=C([O-])CNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711767	0	42	0.0	-71.72	348.31	6.60	-65.12
CCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711768	0	48	0.0	-79.67	390.69	8.50	-71.17
CC(C)C(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711769	0	51	0.0	-79.32	406.05	9.04	-70.28
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711770	0	45	0.0	-79.99	367.33	9.33	-70.66
CC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711771	0	45	0.0	-72.22	368.93	7.44	-64.78
CCC(C)C(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711772	0	54	0.0	-81.80	422.17	9.40	-72.40
CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711773	0	45	0.0	-79.99	367.33	9.33	-70.66
O=C([O-])C1CCCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711774	0	52	0.0	-87.99	401.58	11.63	-76.36
CCCC(C)(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711775	0	54	0.0	-79.18	416.56	9.56	-69.62
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711776	0	51	0.0	-64.85	401.12	10.71	-54.14
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1CC1	REAL300012711777	0	49	0.0	-78.39	394.16	10.69	-67.70
C=CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711778	0	49	0.0	-64.45	401.95	10.87	-53.58
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711779	0	54	0.0	-64.00	425.06	11.36	-52.64
CC(C)(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711780	0	48	0.0	-70.93	381.67	7.81	-63.12
CC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)(C(=O)[O-])C1CC1	REAL300012711781	0	52	0.0	-79.52	404.79	9.60	-69.92
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCCCC1	REAL300012711782	0	55	0.0	-82.31	420.77	10.70	-71.61
CC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711783	0	51	0.0	-64.85	401.12	10.71	-54.14
CCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711784	0	51	0.0	-64.60	410.64	11.06	-53.54
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711785	0	48	0.0	-77.96	389.14	10.31	-67.65
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711786	0	54	0.0	-75.71	420.79	9.43	-66.28
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCCC1	REAL300012711787	0	52	0.0	-78.41	406.27	9.59	-68.82
CCC(C)(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711788	0	51	0.0	-78.92	395.07	8.80	-70.12
C[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711789	0	45	0.0	-69.75	369.38	7.47	-62.28
CCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711790	0	48	0.0	-77.96	389.14	10.31	-67.65
C[C@@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711791	0	45	0.0	-72.04	369.39	7.47	-64.57
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CC1	REAL300012711792	0	46	0.0	-84.31	375.53	8.67	-75.64
O=C([O-])C1COCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711793	0	50	0.0	-84.51	392.15	8.94	-75.57
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1CC1	REAL300012711794	0	49	0.0	-80.24	400.97	9.03	-71.21
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711795	0	52	0.0	-65.74	420.52	9.49	-56.25
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711796	0	49	0.0	-87.11	391.87	9.94	-77.17
O=C([O-])[C@H]1CCCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711797	0	52	0.0	-87.82	400.74	11.34	-76.48
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711798	0	48	0.0	-76.67	382.24	9.56	-67.11
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711799	0	49	0.0	-85.72	390.85	10.00	-75.72
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCC1	REAL300012711800	0	49	0.0	-83.86	392.33	9.19	-74.67
C=CCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711801	0	49	0.0	-79.89	404.21	8.89	-71.00
CC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711802	0	52	0.0	-80.66	407.04	10.93	-69.73
O=C([O-])C1CCCCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711803	0	55	0.0	-87.17	414.05	12.05	-75.12
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1CC1	REAL300012711804	0	49	0.0	-80.24	400.97	9.03	-71.21
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711805	0	48	0.0	-76.81	381.16	9.50	-67.31
CCCCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711806	0	54	0.0	-80.90	433.93	9.98	-70.92
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711807	0	52	0.0	-80.67	407.03	10.93	-69.74
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1CCCC1	REAL300012711808	0	55	0.0	-66.06	425.48	11.87	-54.19
COCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711809	0	49	0.0	-81.63	402.78	6.68	-74.95
CCCCCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711810	0	57	0.0	-80.01	455.42	10.76	-69.25
CN(C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1(C(=O)[O-])CCCC1	REAL300012711811	0	55	0.0	-85.74	416.70	11.28	-74.46
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1CC1	REAL300012711812	0	52	0.0	-68.55	407.70	10.97	-57.58
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1CC1	REAL300012711813	0	55	0.0	-68.37	429.14	12.17	-56.20
COCC(C)(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711814	0	52	0.0	-83.35	413.31	8.09	-75.26
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711815	0	55	0.0	-78.45	432.79	9.88	-68.57
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711816	0	54	0.0	-64.00	425.06	11.36	-52.64
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1CC1	REAL300012711817	0	49	0.0	-78.39	394.16	10.69	-67.70
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCOC1	REAL300012711818	0	50	0.0	-78.36	396.84	7.00	-71.36
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCOCC1	REAL300012711819	0	53	0.0	-82.30	412.14	8.20	-74.10
C=CCCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711820	0	52	0.0	-79.85	425.24	9.76	-70.09
O=C([O-])C(CF)NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711821	0	45	0.0	-69.66	372.72	7.44	-62.22
CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711822	0	48	0.0	-76.81	381.16	9.50	-67.31
CCC(CC)(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711823	0	54	0.0	-80.00	411.45	9.69	-70.31
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711824	0	54	0.0	-63.92	419.87	11.64	-52.28
CCC(COC)(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711825	0	55	0.0	-84.51	429.75	9.00	-75.51
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711826	0	52	0.0	-79.54	422.82	10.05	-69.49
COCCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711827	0	52	0.0	-80.34	424.60	7.49	-72.85
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711828	0	57	0.0	-78.49	440.44	11.92	-66.57
O=C([O-])C(CC(F)F)NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711829	0	48	0.0	-75.74	400.71	8.98	-66.76
CCCN(C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(C)C(=O)[O-]	REAL300012711830	0	54	0.0	-58.38	421.96	11.86	-46.52
O=C([O-])C(CCF)NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711831	0	48	0.0	-78.92	397.52	8.57	-70.35
CC(CCF)(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711832	0	51	0.0	-76.04	401.65	8.94	-67.10
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711833	0	48	0.0	-73.84	381.16	9.50	-64.34
O=C([O-])C12CC(C1)CN2C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711834	0	50	0.0	-86.64	397.27	11.03	-75.61
CC(C)(C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711835	0	54	0.0	-75.82	420.39	9.62	-66.20
C=C(C)CC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711836	0	52	0.0	-80.29	423.98	9.67	-70.62
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711837	0	53	0.0	-88.28	412.07	11.82	-76.46
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711838	0	49	0.0	-79.61	397.35	10.08	-69.53
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300012711839	0	50	0.0	-85.47	404.20	10.46	-75.01
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711840	0	54	0.0	-75.78	429.08	9.81	-65.97
O=C([O-])C(CC1CC1)NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711841	0	52	0.0	-79.54	422.82	10.05	-69.49
CSCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711842	0	49	0.0	-77.30	414.39	8.85	-68.45
COC[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711843	0	49	0.0	-77.94	403.06	6.73	-71.21
CC[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711844	0	48	0.0	-75.54	390.37	8.51	-67.03
CCC(C)CC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711845	0	57	0.0	-80.29	447.86	10.39	-69.90
C=CCCCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711846	0	55	0.0	-79.70	445.90	10.56	-69.14
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711847	0	50	0.0	-81.33	400.95	11.40	-69.93
O=C([O-])[C@H]1CCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711848	0	49	0.0	-87.11	391.87	9.94	-77.17
CCCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711849	0	51	0.0	-79.58	412.18	9.26	-70.32
CC(C)[C@@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711850	0	51	0.0	-79.67	406.34	9.10	-70.57
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711851	0	53	0.0	-90.86	411.19	11.92	-78.94
CCN(C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012711852	0	54	0.0	-79.96	415.88	11.24	-68.72
CCCN(C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(C)C(=O)[O-]	REAL300012711853	0	54	0.0	-58.38	421.96	11.86	-46.52
CN(C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012711854	0	51	0.0	-82.32	396.32	10.40	-71.92
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711855	0	49	0.0	-85.72	390.85	10.00	-75.72
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711856	0	50	0.0	-88.94	401.68	6.64	-82.30
CCC[C@@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711857	0	51	0.0	-80.46	412.71	9.26	-71.20
C=CCCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711858	0	52	0.0	-79.85	425.24	9.76	-70.09
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711859	0	52	0.0	-85.92	406.71	10.89	-75.03
CC(C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711860	0	51	0.0	-75.22	402.33	8.80	-66.42
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711861	0	48	0.0	-73.84	381.16	9.50	-64.34
CCC[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711862	0	51	0.0	-75.48	411.87	9.28	-66.20
CCN(C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(C)C(=O)[O-]	REAL300012711863	0	51	0.0	-74.41	400.18	10.42	-63.99
O=C([O-])CN(C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1CCCC1	REAL300012711864	0	55	0.0	-66.06	425.48	11.87	-54.19
CC(CN(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711865	0	51	0.0	-84.51	403.49	10.26	-74.25
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711866	0	54	0.0	-75.71	420.79	9.43	-66.28
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711867	0	51	0.0	-74.63	401.63	10.49	-64.14
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CC(CO)C1	REAL300012711868	0	53	0.0	-79.46	424.65	6.47	-72.99
CC1CCC(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)(C(=O)[O-])C1	REAL300012711869	0	55	0.0	-83.18	427.27	10.21	-72.97
COCCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711870	0	52	0.0	-80.34	424.60	7.49	-72.85
CC1(C)CC(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)(C(=O)[O-])C1	REAL300012711871	0	55	0.0	-84.49	428.76	10.90	-73.59
CC1(C(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C(=O)[O-])CC1	REAL300012711872	0	52	0.0	-79.90	412.67	9.83	-70.07
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711873	0	50	0.0	-92.34	400.31	6.84	-85.50
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1CCOC1	REAL300012711874	0	53	0.0	-77.01	418.38	7.50	-69.51
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711875	0	53	0.0	-89.27	411.58	11.48	-77.79
O=C([O-])C12COC(CN1C(=O)NC1CC[NH+](CC3=CC=C(Cl)C=C3)CC1)C2	REAL300012711876	0	51	0.0	-82.57	404.13	9.29	-73.28
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300012711877	0	55	0.0	-88.85	417.49	12.56	-76.29
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1CCC1	REAL300012711878	0	52	0.0	-81.37	411.32	9.37	-72.00
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1CCC1	REAL300012711879	0	52	0.0	-81.37	411.32	9.37	-72.00
CC1CCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1C(=O)[O-]	REAL300012711880	0	52	0.0	-86.55	411.27	10.68	-75.87
C=CCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711881	0	49	0.0	-79.89	404.21	8.89	-71.00
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711882	0	53	0.0	-61.47	412.74	11.42	-50.05
COC1CC(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)(C(=O)[O-])C1	REAL300012711883	0	53	0.0	-86.29	425.69	8.15	-78.14
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)(C(=O)[O-])C1	REAL300012711884	0	53	0.0	-79.22	424.01	8.40	-70.82
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711885	0	55	0.0	-85.28	420.36	12.18	-73.10
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)COC1	REAL300012711886	0	47	0.0	-78.13	383.15	6.22	-71.91
CC(C)C(C)(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711887	0	54	0.0	-79.49	409.99	9.43	-70.06
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711888	0	50	0.0	-88.80	397.19	11.55	-77.25
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711889	0	53	0.0	-85.00	413.21	11.16	-73.84
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711890	0	54	0.0	-76.12	415.42	11.20	-64.92
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711891	0	49	0.0	-79.61	397.35	10.08	-69.53
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711892	0	51	0.0	-63.61	406.06	11.22	-52.39
CC1(C)CCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1C(=O)[O-]	REAL300012711893	0	55	0.0	-82.85	426.16	11.05	-71.80
CC(C)CCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711894	0	57	0.0	-79.74	451.25	10.56	-69.18
O=C([O-])C1(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCC2CC21	REAL300012711895	0	53	0.0	-84.13	413.70	10.42	-73.71
O=C([O-])C(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1CCCC1	REAL300012711896	0	55	0.0	-78.86	427.37	10.07	-68.79
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711897	0	52	0.0	-81.01	421.22	7.73	-73.28
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711898	0	52	0.0	-82.76	405.10	9.67	-73.09
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300012711899	0	55	0.0	-61.10	429.84	11.19	-49.91
COCCCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711900	0	55	0.0	-80.30	446.10	8.27	-72.03
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711901	0	54	0.0	-77.72	423.13	11.26	-66.46
CCOCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711902	0	52	0.0	-82.29	424.15	7.65	-74.64
CC(C)(C)CC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711903	0	57	0.0	-80.60	441.76	10.83	-69.77
C[C@H]1OCCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)[C@@H]1C(=O)[O-]	REAL300012711904	0	53	0.0	-87.65	412.24	9.93	-77.72
N#CCCC(NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300012711905	0	49	0.0	-80.95	411.54	9.00	-71.95
C[C@H](C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300012711906	0	48	0.0	-76.67	382.24	9.56	-67.11
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012711907	0	56	0.0	-67.40	417.94	9.37	-58.03
C=CCOCC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012711908	0	55	0.0	-68.69	426.69	7.85	-60.84
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012711909	0	54	0.0	-67.59	404.59	8.89	-58.70
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012711910	0	58	0.0	-68.37	430.10	8.10	-60.27
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012711911	0	58	0.0	-71.54	423.99	10.53	-61.01
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012711912	0	58	0.0	-58.60	428.29	8.22	-50.38
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012711913	0	57	0.0	-68.61	408.49	11.56	-57.05
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012711914	0	60	0.0	-67.47	458.79	11.54	-55.93
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012711915	0	60	0.0	-59.24	454.44	11.42	-47.82
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012711916	0	60	0.0	-66.61	445.65	11.21	-55.40
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+](CC)CC	REAL300012711917	0	53	0.0	-57.25	399.50	10.64	-46.61
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012711918	0	57	0.0	-59.30	412.02	11.04	-48.26
CCCN(C(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(COC)C(=O)[O-]	REAL300012711919	0	60	0.0	-60.21	445.84	11.86	-48.35
CCCN(C(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(CC)C(=O)[O-]	REAL300012711920	0	59	0.0	-55.52	425.78	11.50	-44.02
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C(C)C	REAL300012711921	0	53	0.0	-58.11	398.94	8.99	-49.12
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012711922	0	54	0.0	-70.97	390.33	11.23	-59.74
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012711923	0	52	0.0	-70.53	393.84	11.42	-59.11
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012711924	0	57	0.0	-59.38	409.64	10.27	-49.11
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCCC1C(=O)[O-]	REAL300012711925	0	51	0.0	-74.41	383.04	10.26	-64.15
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012711926	0	54	0.0	-61.64	399.32	9.42	-52.22
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012711927	0	60	0.0	-59.69	415.25	10.94	-48.75
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012711928	0	57	0.0	-60.82	442.24	11.41	-49.41
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012711929	0	57	0.0	-58.58	440.74	13.21	-45.37
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012711930	0	54	0.0	-59.00	416.25	10.15	-48.85
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012711931	0	54	0.0	-59.02	416.25	10.13	-48.89
CCC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012711932	0	50	0.0	-58.70	383.57	8.45	-50.25
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C(C)C	REAL300012711933	0	53	0.0	-58.11	398.94	8.99	-49.12
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)CC(=O)[O-]	REAL300012711934	0	47	0.0	-58.75	359.93	9.22	-49.53
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012711935	0	57	0.0	-60.82	442.24	11.41	-49.41
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C)C(=O)[O-]	REAL300012711936	0	47	0.0	-56.67	358.25	7.04	-49.63
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012711937	0	56	0.0	-59.01	413.76	9.42	-49.59
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)CC(=O)[O-]	REAL300012711938	0	47	0.0	-58.75	359.93	9.22	-49.53
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012711939	0	54	0.0	-70.97	390.33	11.23	-59.74
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012711940	0	56	0.0	-68.87	409.45	9.52	-59.35
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C(C)C	REAL300012711941	0	53	0.0	-60.54	391.94	10.48	-50.06
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012711942	0	51	0.0	-61.34	387.05	10.58	-50.76
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+](CC)CC	REAL300012711943	0	51	0.0	-56.95	390.81	10.44	-46.51
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012711944	0	56	0.0	-57.32	414.16	11.16	-46.16
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012711945	0	58	0.0	-72.32	431.58	13.64	-58.68
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C)(C)C(=O)[O-]	REAL300012711946	0	50	0.0	-55.29	374.56	7.76	-47.53
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012711947	0	54	0.0	-59.07	397.48	9.50	-49.57
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012711948	0	51	0.0	-65.36	407.83	9.21	-56.15
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012711949	0	57	0.0	-59.38	409.64	10.27	-49.11
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C(C)C	REAL300012711950	0	53	0.0	-60.54	391.94	10.48	-50.06
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+](CC)CC	REAL300012711951	0	53	0.0	-57.25	399.50	10.64	-46.61
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+](CC)CC	REAL300012711952	0	50	0.0	-58.70	381.74	10.20	-48.50
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012711953	0	56	0.0	-66.93	409.62	9.02	-57.91
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012711954	0	54	0.0	-61.64	399.32	9.42	-52.22
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C)(CC)C(=O)[O-]	REAL300012711955	0	53	0.0	-66.51	384.21	8.44	-58.07
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012711956	0	58	0.0	-61.59	438.43	11.56	-50.03
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012711957	0	57	0.0	-60.19	427.56	11.28	-48.91
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@@H](C)C(=O)[O-]	REAL300012711958	0	47	0.0	-57.88	361.89	7.40	-50.48
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+](CC)CC	REAL300012711959	0	50	0.0	-58.70	381.74	10.20	-48.50
CCCCCCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012711960	0	65	0.0	-69.15	473.94	11.85	-57.30
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012711961	0	60	0.0	-56.98	447.07	13.01	-43.97
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H](C)C(=O)[O-]	REAL300012711962	0	47	0.0	-54.50	362.04	7.38	-47.12
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC1	REAL300012711963	0	48	0.0	-72.22	368.61	8.53	-63.69
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012711964	0	52	0.0	-66.60	379.39	8.61	-57.99
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012711965	0	60	0.0	-61.99	422.35	12.05	-49.94
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012711966	0	51	0.0	-60.39	390.19	8.90	-51.49
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012711967	0	60	0.0	-59.65	463.15	13.99	-45.66
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012711968	0	57	0.0	-59.40	427.57	12.14	-47.26
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CCOC)CC(=O)[O-]	REAL300012711969	0	54	0.0	-57.82	409.38	9.06	-48.76
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012711970	0	58	0.0	-62.04	430.94	11.24	-50.80
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012711971	0	51	0.0	-64.69	383.86	9.91	-54.78
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012711972	0	54	0.0	-68.94	393.74	11.29	-57.65
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)[C@H](C)C(=O)[O-]	REAL300012711973	0	50	0.0	-56.78	374.83	9.47	-47.31
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012711974	0	51	0.0	-72.38	378.77	9.98	-62.40
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC1	REAL300012711975	0	51	0.0	-61.18	381.25	8.77	-52.41
C=CCC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012711976	0	51	0.0	-68.03	396.29	8.84	-59.19
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012711977	0	54	0.0	-73.15	395.90	10.53	-62.62
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012711978	0	57	0.0	-74.19	407.21	11.92	-62.27
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012711979	0	51	0.0	-60.39	390.19	8.90	-51.49
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)C(C)C(=O)[O-]	REAL300012711980	0	50	0.0	-54.99	371.10	9.13	-45.86
CCCCC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012711981	0	56	0.0	-59.31	426.81	9.94	-49.37
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012711982	0	60	0.0	-59.65	463.15	13.99	-45.66
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012711983	0	54	0.0	-75.18	400.14	10.80	-64.38
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012711984	0	57	0.0	-57.30	414.34	11.46	-45.84
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(COC)C(=O)[O-]	REAL300012711985	0	51	0.0	-70.34	395.18	6.61	-63.73
CCCCCC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012711986	0	59	0.0	-59.26	448.31	10.72	-48.54
CCC1CCC(NC(=O)NCC2=CC=CC=C2C[NH+](CC)CC)(C(=O)[O-])CC1	REAL300012711987	0	63	0.0	-61.04	452.42	11.83	-49.21
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012711988	0	58	0.0	-57.47	422.78	9.78	-47.69
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012711989	0	57	0.0	-74.19	404.57	10.84	-63.35
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012711990	0	54	0.0	-59.99	399.85	10.81	-49.18
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C1CC1	REAL300012711991	0	57	0.0	-47.15	421.46	11.98	-35.17
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012711992	0	54	0.0	-72.28	420.65	10.22	-62.06
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012711993	0	58	0.0	-48.96	434.78	13.00	-35.96
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012711994	0	63	0.0	-59.71	464.00	11.66	-48.05
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012711995	0	60	0.0	-57.47	443.70	13.50	-43.97
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012711996	0	57	0.0	-66.59	437.02	10.84	-55.75
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012711997	0	50	0.0	-61.75	398.91	9.11	-52.64
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012711998	0	55	0.0	-67.45	407.27	9.96	-57.49
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012711999	0	54	0.0	-70.73	402.46	7.72	-63.01
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+](CC)CC	REAL300012712000	0	57	0.0	-56.70	423.07	9.47	-47.23
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012712001	0	56	0.0	-57.32	414.16	11.16	-46.16
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012712002	0	51	0.0	-61.34	387.05	10.58	-50.76
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012712003	0	53	0.0	-58.15	417.64	11.02	-47.13
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012712004	0	52	0.0	-67.23	389.54	6.90	-60.33
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012712005	0	60	0.0	-60.89	437.56	10.59	-50.30
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012712006	0	61	0.0	-66.52	447.14	10.79	-55.73
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012712007	0	55	0.0	-60.81	404.73	8.11	-52.70
C=CCCC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012712008	0	54	0.0	-58.31	417.88	9.78	-48.53
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CF)C(=O)[O-]	REAL300012712009	0	47	0.0	-54.79	365.43	7.41	-47.38
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012712010	0	60	0.0	-35.58	440.49	13.74	-21.84
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)C(C)C(=O)[O-]	REAL300012712011	0	50	0.0	-54.99	371.10	9.13	-45.86
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC)(CC)C(=O)[O-]	REAL300012712012	0	56	0.0	-56.76	400.59	9.33	-47.43
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012712013	0	58	0.0	-66.35	445.10	9.46	-56.89
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+](CC)CC	REAL300012712014	0	56	0.0	-57.82	414.31	11.83	-45.99
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012712015	0	57	0.0	-74.89	422.88	8.96	-65.93
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012712016	0	60	0.0	-58.44	447.08	10.55	-47.89
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012712017	0	54	0.0	-66.85	410.85	9.62	-57.23
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012712018	0	54	0.0	-59.45	417.49	7.45	-52.00
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012712019	0	59	0.0	-68.43	433.05	11.84	-56.59
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012712020	0	50	0.0	-59.16	396.16	8.68	-50.48
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+](CC)CC	REAL300012712021	0	60	0.0	-62.29	434.73	12.48	-49.81
CCCN(C(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012712022	0	56	0.0	-54.27	409.09	11.44	-42.83
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012712023	0	60	0.0	-37.93	446.83	13.89	-24.04
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300012712024	0	60	0.0	-59.13	441.00	11.81	-47.32
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012712025	0	50	0.0	-55.55	386.42	8.26	-47.29
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012712026	0	61	0.0	-60.63	455.40	9.51	-51.12
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012712027	0	58	0.0	-57.47	422.78	9.78	-47.69
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012712028	0	60	0.0	-57.50	431.74	12.17	-45.33
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012712029	0	60	0.0	-73.99	427.53	10.92	-63.07
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012712030	0	58	0.0	-68.74	445.71	9.42	-59.32
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012712031	0	53	0.0	-65.92	394.54	8.89	-57.03
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012712032	0	55	0.0	-60.15	417.65	11.08	-49.07
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012712033	0	51	0.0	-58.06	393.84	9.73	-48.33
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012712034	0	58	0.0	-70.40	448.85	9.78	-60.62
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300012712035	0	50	0.0	-63.45	370.17	9.13	-54.32
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012712036	0	63	0.0	-60.32	436.32	11.14	-49.18
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012712037	0	52	0.0	-72.50	390.09	10.95	-61.55
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012712038	0	58	0.0	-59.76	428.74	9.56	-50.20
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012712039	0	61	0.0	-56.80	451.22	8.96	-47.84
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012712040	0	56	0.0	-67.37	409.25	9.18	-58.19
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012712041	0	51	0.0	-68.82	412.25	9.46	-59.36
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012712042	0	54	0.0	-68.86	416.83	9.61	-59.25
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012712043	0	55	0.0	-76.32	404.30	11.76	-64.56
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012712044	0	51	0.0	-65.02	391.88	10.14	-54.88
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012712045	0	51	0.0	-73.06	389.02	10.40	-62.66
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+](CC)CC)C1	REAL300012712046	0	52	0.0	-74.49	397.01	10.41	-64.08
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012712047	0	61	0.0	-71.62	455.27	9.22	-62.40
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012712048	0	56	0.0	-67.40	417.94	9.37	-58.03
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012712049	0	58	0.0	-68.37	430.10	8.10	-60.27
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012712050	0	54	0.0	-59.02	416.25	10.13	-48.89
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012712051	0	54	0.0	-66.85	410.85	9.62	-57.23
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012712052	0	53	0.0	-64.88	425.04	8.24	-56.64
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012712053	0	62	0.0	-58.41	465.63	11.29	-47.12
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012712054	0	58	0.0	-61.56	436.26	8.44	-53.12
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CSC)C(=O)[O-]	REAL300012712055	0	51	0.0	-65.45	407.28	8.81	-56.64
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@@H](COC)C(=O)[O-]	REAL300012712056	0	51	0.0	-68.77	391.93	6.32	-62.45
CC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012712057	0	50	0.0	-67.19	380.07	8.07	-59.12
CCC(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012712058	0	59	0.0	-59.78	440.25	10.36	-49.42
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012712059	0	57	0.0	-56.49	435.64	10.23	-46.26
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012712060	0	52	0.0	-70.53	393.84	11.42	-59.11
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012712061	0	57	0.0	-60.19	427.56	11.28	-48.91
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012712062	0	51	0.0	-64.69	383.86	9.91	-54.78
CCCC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012712063	0	53	0.0	-57.26	401.57	8.82	-48.44
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012712064	0	53	0.0	-59.59	400.85	8.99	-50.60
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012712065	0	55	0.0	-72.96	398.87	11.52	-61.44
CCN(C(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(C)(C)C(=O)[O-]	REAL300012712066	0	56	0.0	-73.59	408.70	11.20	-62.39
CCCN(C(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012712067	0	56	0.0	-54.27	409.09	11.44	-42.83
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012712068	0	50	0.0	-56.45	396.36	10.71	-45.74
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012712069	0	50	0.0	-56.45	396.36	10.71	-45.74
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300012712070	0	53	0.0	-59.02	384.24	9.95	-49.07
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012712071	0	51	0.0	-72.38	378.77	9.98	-62.40
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012712072	0	52	0.0	-63.75	390.78	6.29	-57.46
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012712073	0	58	0.0	-38.28	428.54	12.97	-25.31
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012712074	0	53	0.0	-58.76	405.60	9.15	-49.61
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012712075	0	54	0.0	-59.00	416.25	10.15	-48.85
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012712076	0	59	0.0	-71.13	460.10	10.41	-60.72
C=CCCC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012712077	0	54	0.0	-58.31	417.88	9.78	-48.53
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012712078	0	53	0.0	-61.53	428.52	8.46	-53.07
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012712079	0	54	0.0	-77.65	407.06	7.46	-70.19
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012712080	0	55	0.0	-59.47	404.85	8.95	-50.52
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012712081	0	54	0.0	-63.63	400.18	10.78	-52.85
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C(C)C	REAL300012712082	0	53	0.0	-69.25	396.97	8.67	-60.58
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012712083	0	54	0.0	-68.27	419.40	10.49	-57.78
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012712084	0	57	0.0	-62.11	429.44	9.81	-52.30
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300012712085	0	50	0.0	-63.45	370.17	9.13	-54.32
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012712086	0	53	0.0	-67.25	401.57	8.83	-58.42
CCN(C(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012712087	0	53	0.0	-55.02	387.78	9.91	-45.11
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012712088	0	57	0.0	-57.30	414.34	11.46	-45.84
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)CC(C)C(=O)[O-]	REAL300012712089	0	53	0.0	-66.13	395.01	9.88	-56.25
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012712090	0	56	0.0	-66.93	409.62	9.02	-57.91
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+](CC)CC	REAL300012712091	0	53	0.0	-65.73	395.95	10.51	-55.22
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012712092	0	55	0.0	-61.87	413.51	6.05	-55.82
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012712093	0	63	0.0	-71.77	467.05	9.72	-62.05
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012712094	0	57	0.0	-59.89	416.15	9.80	-50.09
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012712095	0	60	0.0	-59.33	425.61	10.53	-48.80
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012712096	0	54	0.0	-59.45	417.49	7.45	-52.00
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012712097	0	60	0.0	-56.98	447.07	13.01	-43.97
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012712098	0	57	0.0	-63.59	422.04	10.78	-52.81
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012712099	0	54	0.0	-61.05	407.49	9.76	-51.29
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012712100	0	63	0.0	-60.43	467.29	9.73	-50.70
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012712101	0	52	0.0	-69.71	393.76	6.72	-62.99
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012712102	0	55	0.0	-58.32	411.06	7.33	-50.99
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012712103	0	55	0.0	-78.48	404.57	11.48	-67.00
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012712104	0	53	0.0	-66.53	392.09	8.77	-57.76
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012712105	0	57	0.0	-69.06	409.35	11.76	-57.30
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012712106	0	60	0.0	-58.59	457.35	11.78	-46.81
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012712107	0	61	0.0	-59.23	452.03	12.21	-47.02
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012712108	0	54	0.0	-59.96	403.95	9.27	-50.69
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012712109	0	60	0.0	-60.89	437.56	10.59	-50.30
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012712110	0	54	0.0	-59.96	403.95	9.27	-50.69
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012712111	0	54	0.0	-64.92	398.76	10.46	-54.46
C=CCC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012712112	0	51	0.0	-68.03	396.29	8.84	-59.19
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012712113	0	61	0.0	-72.90	458.28	9.57	-63.33
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012712114	0	61	0.0	-36.96	426.70	11.96	-25.00
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012712115	0	61	0.0	-61.02	433.50	9.47	-51.55
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012712116	0	55	0.0	-38.85	399.21	10.94	-27.91
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012712117	0	61	0.0	-59.23	452.03	12.21	-47.02
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012712118	0	55	0.0	-63.52	414.57	7.73	-55.79
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012712119	0	51	0.0	-61.77	393.38	9.13	-52.64
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012712120	0	55	0.0	-57.72	412.63	7.65	-50.07
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCCC1(CC)C(=O)[O-]	REAL300012712121	0	57	0.0	-63.80	407.12	11.46	-52.34
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012712122	0	50	0.0	-61.75	398.91	9.11	-52.64
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012712123	0	58	0.0	-71.34	437.65	8.53	-62.81
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])COC1	REAL300012712124	0	49	0.0	-56.34	372.02	5.81	-50.53
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012712125	0	54	0.0	-70.59	434.11	10.45	-60.14
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012712126	0	56	0.0	-69.71	404.69	9.44	-60.27
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012712127	0	52	0.0	-70.05	389.44	11.52	-58.53
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012712128	0	55	0.0	-65.62	406.33	11.00	-54.62
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012712129	0	60	0.0	-37.93	446.83	13.89	-24.04
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012712130	0	63	0.0	-59.71	464.00	11.66	-48.05
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012712131	0	60	0.0	-69.45	464.39	12.19	-57.26
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012712132	0	60	0.0	-59.87	465.51	12.17	-47.70
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012712133	0	61	0.0	-58.89	442.81	10.92	-47.97
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012712134	0	63	0.0	-59.19	464.31	11.63	-47.56
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012712135	0	63	0.0	-68.41	460.16	11.36	-57.05
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012712136	0	61	0.0	-39.12	441.15	12.11	-27.01
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012712137	0	61	0.0	-63.95	436.55	11.76	-52.19
C=CCSCC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012712138	0	55	0.0	-64.86	440.88	10.28	-54.58
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[NH+](CC)CC	REAL300012712139	0	56	0.0	-57.22	408.52	11.20	-46.02
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012712140	0	58	0.0	-65.51	431.40	8.09	-57.42
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012712141	0	54	0.0	-56.63	411.36	9.49	-47.14
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012712143	0	51	0.0	-73.06	389.02	10.40	-62.66
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012712144	0	53	0.0	-57.11	398.59	11.02	-46.09
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012712145	0	57	0.0	-63.62	415.02	10.61	-53.01
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012712146	0	61	0.0	-68.86	438.80	13.08	-55.78
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012712147	0	59	0.0	-59.42	444.38	10.45	-48.97
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012712148	0	58	0.0	-55.31	426.68	11.40	-43.91
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012712149	0	58	0.0	-71.34	437.65	8.53	-62.81
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012712150	0	55	0.0	-69.70	423.10	10.97	-58.73
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012712151	0	58	0.0	-76.17	419.16	11.25	-64.92
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012712152	0	55	0.0	-73.23	402.57	10.00	-63.23
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012712153	0	58	0.0	-61.56	427.53	10.73	-50.83
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012712154	0	60	0.0	-58.78	450.87	13.34	-45.44
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012712155	0	57	0.0	-58.03	416.28	9.59	-48.44
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012712156	0	54	0.0	-68.79	410.07	7.32	-61.47
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012712157	0	54	0.0	-66.07	407.29	10.06	-56.01
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012712158	0	57	0.0	-58.58	440.74	13.21	-45.37
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012712159	0	57	0.0	-39.35	418.88	10.91	-28.44
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012712160	0	54	0.0	-69.33	404.71	11.43	-57.90
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012712161	0	51	0.0	-76.02	390.56	10.10	-65.92
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012712162	0	54	0.0	-67.79	429.32	9.98	-57.81
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012712163	0	54	0.0	-65.26	408.02	10.64	-54.62
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012712164	0	54	0.0	-67.79	429.32	9.98	-57.81
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012712165	0	58	0.0	-66.05	421.30	11.70	-54.35
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012712166	0	57	0.0	-57.18	435.25	7.89	-49.29
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+](CC)CC	REAL300012712167	0	56	0.0	-64.94	411.95	10.99	-53.95
CCOCC(NC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300012712168	0	54	0.0	-70.75	417.04	7.59	-63.16
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012712169	0	59	0.0	-56.76	430.28	10.53	-46.23
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012712170	0	58	0.0	-58.55	428.81	8.22	-50.33
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012712171	0	58	0.0	-61.59	438.43	11.56	-50.03
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012712172	0	55	0.0	-66.06	398.64	9.23	-56.83
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012712173	0	51	0.0	-60.47	404.67	8.89	-51.58
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012712174	0	54	0.0	-58.98	422.41	11.35	-47.63
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)[C@H](C)C(=O)[O-]	REAL300012712175	0	50	0.0	-56.78	374.83	9.47	-47.31
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+](CC)CC)C1	REAL300012712176	0	58	0.0	-70.42	438.40	10.11	-60.31
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712177	0	57	0.0	-79.56	435.41	9.96	-69.60
C=CCOCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712178	0	56	0.0	-81.57	442.90	8.42	-73.15
C=CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712179	0	55	0.0	-79.54	420.93	9.42	-70.12
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCOCC1	REAL300012712180	0	59	0.0	-82.82	441.80	8.41	-74.41
COC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C(C(=O)[O-])C1	REAL300012712181	0	59	0.0	-91.47	436.60	10.61	-80.86
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCCOC1	REAL300012712182	0	59	0.0	-78.38	440.89	8.40	-69.98
CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C(C(=O)[O-])C1	REAL300012712183	0	58	0.0	-90.61	420.10	11.85	-78.76
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712184	0	54	0.0	-66.41	415.85	11.16	-55.25
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCC1	REAL300012712185	0	58	0.0	-66.68	428.18	11.45	-55.23
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(COC)C(=O)[O-]	REAL300012712186	0	61	0.0	-77.13	453.43	10.74	-66.39
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(CC)C(=O)[O-]	REAL300012712187	0	60	0.0	-68.74	442.09	12.12	-56.62
CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712188	0	54	0.0	-79.74	413.46	9.16	-70.58
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712189	0	55	0.0	-91.38	406.51	11.77	-79.61
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712190	0	53	0.0	-86.99	406.38	11.56	-75.43
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCCCC1	REAL300012712191	0	58	0.0	-84.26	425.93	10.79	-73.47
O=C([O-])C1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712192	0	52	0.0	-86.50	395.17	10.50	-76.00
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCCC1	REAL300012712193	0	55	0.0	-84.76	411.15	9.71	-75.05
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCCCCC1	REAL300012712194	0	61	0.0	-84.75	431.89	11.51	-73.24
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712195	0	58	0.0	-80.77	454.61	11.66	-69.11
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712196	0	58	0.0	-66.94	453.34	13.40	-53.54
O=C([O-])CNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712197	0	45	0.0	-67.38	353.80	6.73	-60.65
O=C([O-])[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CC=C1	REAL300012712198	0	55	0.0	-80.90	432.66	10.79	-70.11
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CC=C1	REAL300012712199	0	55	0.0	-81.34	432.55	10.66	-70.68
CCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712200	0	51	0.0	-79.15	396.42	8.59	-70.56
CC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712201	0	54	0.0	-79.74	413.46	9.16	-70.58
CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712202	0	48	0.0	-78.54	372.54	9.42	-69.12
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712203	0	58	0.0	-80.77	454.61	11.66	-69.11
CC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712204	0	48	0.0	-68.09	374.59	7.56	-60.53
CCC(C)C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712205	0	57	0.0	-80.54	431.40	9.80	-70.74
CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712206	0	48	0.0	-78.54	372.54	9.42	-69.12
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712207	0	55	0.0	-91.38	406.51	11.77	-79.61
CCCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712208	0	57	0.0	-80.62	422.06	9.71	-70.91
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712209	0	54	0.0	-67.12	404.48	10.67	-56.45
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CC1	REAL300012712210	0	52	0.0	-67.22	397.91	10.98	-56.24
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712211	0	52	0.0	-66.23	407.16	10.96	-55.27
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712212	0	57	0.0	-65.88	430.26	11.46	-54.42
CC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712213	0	51	0.0	-66.18	387.17	7.96	-58.22
CC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)(C(=O)[O-])C1CC1	REAL300012712214	0	55	0.0	-82.14	410.36	9.75	-72.39
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CS1	REAL300012712215	0	52	0.0	-78.84	424.27	9.87	-68.97
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCCCC1	REAL300012712216	0	58	0.0	-84.26	425.93	10.79	-73.47
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712217	0	54	0.0	-67.12	404.48	10.67	-56.45
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712218	0	54	0.0	-66.41	415.85	11.16	-55.25
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712219	0	51	0.0	-78.80	394.35	10.41	-68.39
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712220	0	57	0.0	-80.33	427.96	9.59	-70.74
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCCC1	REAL300012712221	0	55	0.0	-84.76	411.15	9.71	-75.05
CCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712222	0	54	0.0	-80.34	400.56	8.96	-71.38
CC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012712223	0	58	0.0	-82.70	440.37	11.43	-71.27
C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712224	0	48	0.0	-68.01	374.43	7.59	-60.42
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712225	0	51	0.0	-78.80	394.35	10.41	-68.39
C[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712226	0	48	0.0	-68.54	374.90	7.52	-61.02
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300012712227	0	49	0.0	-85.91	381.05	8.83	-77.08
O=C([O-])C1COCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712228	0	53	0.0	-87.13	397.97	9.15	-77.98
CN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1(C(=O)[O-])CCCCC1	REAL300012712229	0	61	0.0	-85.68	435.49	12.16	-73.52
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CC1	REAL300012712230	0	52	0.0	-79.97	406.17	9.13	-70.84
CN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012712231	0	58	0.0	-86.01	441.15	12.63	-73.38
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712232	0	55	0.0	-66.94	425.73	9.58	-57.36
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712233	0	52	0.0	-86.69	396.24	10.24	-76.45
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712234	0	55	0.0	-90.10	406.34	11.57	-78.53
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712235	0	51	0.0	-73.79	386.94	9.55	-64.24
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712236	0	52	0.0	-86.37	395.23	10.49	-75.88
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCC1	REAL300012712237	0	52	0.0	-85.22	397.55	9.30	-75.92
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712238	0	52	0.0	-78.48	409.46	9.10	-69.38
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712239	0	55	0.0	-86.49	412.26	11.05	-75.44
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712240	0	58	0.0	-88.17	421.52	12.41	-75.76
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CC1	REAL300012712241	0	52	0.0	-79.97	406.17	9.13	-70.84
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712242	0	51	0.0	-74.29	386.51	9.65	-64.64
CCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712243	0	57	0.0	-78.77	439.18	10.19	-68.58
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712244	0	55	0.0	-86.32	412.56	11.09	-75.23
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCCC1	REAL300012712245	0	58	0.0	-65.73	431.00	12.02	-53.71
COCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712246	0	52	0.0	-80.59	408.14	6.87	-73.72
CCCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712247	0	60	0.0	-79.04	460.92	10.91	-68.13
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCOCC1	REAL300012712248	0	59	0.0	-66.39	439.12	10.30	-56.09
CN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1(C(=O)[O-])CCCC1	REAL300012712249	0	58	0.0	-86.84	422.17	11.44	-75.40
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CC1	REAL300012712250	0	55	0.0	-66.79	412.79	10.99	-55.80
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CC1	REAL300012712251	0	58	0.0	-65.51	434.57	12.32	-53.19
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CC=C1F	REAL300012712252	0	55	0.0	-86.24	437.04	10.86	-75.38
CC1=CC=C(C(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])C=C1	REAL300012712253	0	58	0.0	-81.02	454.07	11.46	-69.56
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712254	0	51	0.0	-73.21	412.11	9.35	-63.86
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCSCC1	REAL300012712255	0	56	0.0	-79.89	423.63	10.49	-69.40
COCC(C)(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712256	0	55	0.0	-84.48	418.80	8.24	-76.24
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712257	0	58	0.0	-75.48	438.80	9.90	-65.58
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712258	0	57	0.0	-65.88	430.26	11.46	-54.42
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CC1	REAL300012712259	0	52	0.0	-67.22	397.91	10.98	-56.24
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCOC1	REAL300012712260	0	53	0.0	-79.57	402.24	7.15	-72.42
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCCCC1	REAL300012712261	0	61	0.0	-80.98	449.79	10.92	-70.06
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCOCC1	REAL300012712262	0	56	0.0	-82.88	417.66	8.35	-74.53
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712263	0	55	0.0	-78.51	430.49	9.97	-68.54
O=C([O-])C(CF)NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712264	0	48	0.0	-66.75	378.52	7.56	-59.19
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712265	0	51	0.0	-74.29	386.51	9.65	-64.64
CCC(CC)(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712266	0	57	0.0	-81.60	416.94	9.85	-71.75
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712267	0	57	0.0	-64.88	427.66	11.84	-53.04
CCC(COC)(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712268	0	58	0.0	-85.81	435.24	9.15	-76.66
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712269	0	61	0.0	-76.40	459.69	10.75	-65.65
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712270	0	55	0.0	-79.32	428.84	10.06	-69.26
COCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712271	0	55	0.0	-78.58	429.85	7.71	-70.87
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712272	0	60	0.0	-74.42	445.25	11.97	-62.45
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712273	0	51	0.0	-77.87	408.77	8.88	-68.99
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712274	0	61	0.0	-89.09	447.02	13.01	-76.08
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(C)C(=O)[O-]	REAL300012712275	0	57	0.0	-64.24	426.63	12.01	-52.23
O=C([O-])C(CCF)NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712276	0	51	0.0	-77.20	403.01	8.73	-68.47
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCOCC1	REAL300012712277	0	59	0.0	-66.39	439.12	10.30	-56.09
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCCCC1	REAL300012712278	0	61	0.0	-66.32	448.08	12.68	-53.64
C[C@H]1CC[C@@](NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)(C(=O)[O-])CC1	REAL300012712279	0	61	0.0	-84.52	440.04	11.23	-73.29
CC(CCF)(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712280	0	54	0.0	-76.89	407.15	9.10	-67.79
O=C([O-])C1C2=C(CCN1C(=O)NCC1=CC=C(C[NH+]3CCCCC3)C=C1)OC=C2	REAL300012712281	0	56	0.0	-70.02	429.33	11.14	-58.88
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712282	0	52	0.0	-79.51	410.61	10.29	-69.22
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712283	0	51	0.0	-73.74	387.73	9.71	-64.03
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712284	0	53	0.0	-92.14	402.78	11.18	-80.96
COC1CN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C(C)(C(=O)[O-])C1	REAL300012712285	0	59	0.0	-86.20	445.57	10.02	-76.18
CC(C)(C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712286	0	57	0.0	-80.56	427.51	9.74	-70.82
C=C(Cl)CC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712287	0	52	0.0	-75.22	424.65	9.77	-65.45
C=C(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712288	0	55	0.0	-79.33	429.32	9.95	-69.38
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712289	0	56	0.0	-94.71	418.07	11.95	-82.76
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712290	0	52	0.0	-78.58	408.41	10.74	-67.84
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712291	0	52	0.0	-83.18	401.98	10.64	-72.54
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300012712292	0	53	0.0	-86.50	409.71	10.60	-75.90
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712293	0	57	0.0	-79.56	435.41	9.96	-69.60
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCOCC1	REAL300012712294	0	59	0.0	-82.82	441.80	8.41	-74.41
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CC=C1	REAL300012712295	0	55	0.0	-81.34	432.55	10.66	-70.68
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712296	0	55	0.0	-79.32	428.84	10.06	-69.26
CC(C)CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712297	0	63	0.0	-79.06	478.48	11.42	-67.64
O=C([O-])C(CC1CCCO1)NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712298	0	59	0.0	-84.08	452.91	9.01	-75.07
CSCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712299	0	52	0.0	-76.82	419.88	9.00	-67.82
COC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712300	0	52	0.0	-80.72	408.58	6.88	-73.84
CC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712301	0	51	0.0	-79.18	396.42	8.59	-70.59
CCC(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712302	0	60	0.0	-79.98	453.48	10.55	-69.43
C=CCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712303	0	58	0.0	-78.76	451.99	10.75	-68.01
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712304	0	53	0.0	-86.99	406.38	11.56	-75.43
CC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012712305	0	58	0.0	-82.70	440.37	11.43	-71.27
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712306	0	52	0.0	-86.69	396.24	10.24	-76.45
CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712307	0	54	0.0	-79.12	417.92	9.35	-69.77
CC(C)[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712308	0	54	0.0	-79.08	407.86	8.99	-70.09
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712309	0	56	0.0	-92.98	416.79	12.11	-80.87
CCN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012712310	0	57	0.0	-84.01	421.14	11.36	-72.65
CCCN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(C)C(=O)[O-]	REAL300012712311	0	57	0.0	-64.24	426.63	12.01	-52.23
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712312	0	51	0.0	-73.83	408.96	10.90	-62.93
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712313	0	51	0.0	-73.83	408.96	10.90	-62.93
CN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012712314	0	54	0.0	-83.84	401.56	10.50	-73.34
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712315	0	52	0.0	-86.37	395.23	10.49	-75.88
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712316	0	53	0.0	-87.99	407.50	6.85	-81.14
CCC[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712317	0	54	0.0	-79.11	417.92	9.35	-69.76
O=C([O-])[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CC=C1	REAL300012712318	0	55	0.0	-80.90	432.66	10.79	-70.11
C=CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712319	0	55	0.0	-78.51	430.49	9.97	-68.54
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1=O	REAL300012712320	0	56	0.0	-80.91	423.21	9.78	-71.13
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712321	0	55	0.0	-86.30	412.58	11.10	-75.20
CC(C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712322	0	54	0.0	-79.71	413.76	9.22	-70.49
O=C([O-])[C@@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CC=C1	REAL300012712323	0	55	0.0	-80.80	431.95	10.68	-70.12
CC(CN1C=CC=N1)(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712324	0	58	0.0	-81.93	446.69	10.07	-71.86
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712325	0	51	0.0	-73.74	387.73	9.71	-64.03
CCC[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712326	0	54	0.0	-78.75	417.08	9.36	-69.39
CCN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(C)C(=O)[O-]	REAL300012712327	0	54	0.0	-74.44	404.13	10.43	-64.01
O=C([O-])CN(C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCCC1	REAL300012712328	0	58	0.0	-65.73	431.00	12.02	-53.71
CC(CN(C)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712329	0	54	0.0	-77.17	407.65	10.09	-67.08
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712330	0	57	0.0	-80.33	427.96	9.59	-70.74
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712331	0	54	0.0	-74.17	407.67	10.68	-63.49
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC(CO)C1	REAL300012712332	0	56	0.0	-85.66	429.81	6.58	-79.08
CC1CCC(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300012712333	0	58	0.0	-84.62	432.49	10.32	-74.30
CC1(C)CCCC1(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712334	0	61	0.0	-85.31	442.25	11.10	-74.21
COCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712335	0	55	0.0	-78.58	429.85	7.71	-70.87
CC1(C)CC(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300012712336	0	58	0.0	-86.06	434.05	11.04	-75.02
CC1(C(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])CC1	REAL300012712337	0	55	0.0	-80.73	425.53	9.71	-71.02
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712338	0	53	0.0	-93.22	407.46	7.01	-86.21
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCOC1	REAL300012712339	0	56	0.0	-79.42	423.49	7.67	-71.75
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712340	0	56	0.0	-90.92	417.37	11.63	-79.29
O=C([O-])C12COC(CN1C(=O)NCC1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300012712341	0	54	0.0	-87.51	410.10	9.37	-78.14
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300012712342	0	58	0.0	-90.83	427.65	12.40	-78.43
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712343	0	62	0.0	-79.14	464.64	12.39	-66.75
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCC1	REAL300012712344	0	55	0.0	-79.88	416.39	9.59	-70.29
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCCCC1	REAL300012712345	0	61	0.0	-80.98	449.79	10.92	-70.06
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCC1	REAL300012712346	0	55	0.0	-79.88	416.39	9.59	-70.29
CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1C(=O)[O-]	REAL300012712347	0	55	0.0	-87.82	416.83	10.85	-76.97
C=CCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712348	0	52	0.0	-78.48	409.46	9.10	-69.38
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712349	0	62	0.0	-63.82	442.56	12.37	-51.45
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712350	0	56	0.0	-64.79	418.26	11.57	-53.22
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712351	0	62	0.0	-79.14	464.64	12.39	-66.75
COC1CC(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300012712352	0	56	0.0	-87.14	431.21	8.31	-78.83
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC(F)(F)C1	REAL300012712353	0	52	0.0	-82.63	406.27	9.37	-73.26
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300012712354	0	56	0.0	-81.01	429.31	8.22	-72.79
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712355	0	58	0.0	-87.45	428.37	12.25	-75.20
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712356	0	51	0.0	-73.21	412.11	9.35	-63.86
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712357	0	59	0.0	-78.42	448.10	8.32	-70.10
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)COC1	REAL300012712358	0	50	0.0	-78.44	388.37	6.34	-72.10
CC(C)C(C)(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712359	0	57	0.0	-81.04	415.48	9.58	-71.46
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712360	0	53	0.0	-91.05	403.16	11.71	-79.34
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712361	0	56	0.0	-88.58	418.68	11.13	-77.45
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CC2CCC1C2	REAL300012712362	0	62	0.0	-82.19	459.01	11.28	-70.91
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712363	0	62	0.0	-65.53	458.17	12.46	-53.07
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712364	0	62	0.0	-89.17	454.30	12.23	-76.94
C=CCSCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712365	0	56	0.0	-77.28	454.40	10.39	-66.89
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712366	0	57	0.0	-74.88	420.62	11.29	-63.59
COC1(C(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])CCC1	REAL300012712367	0	59	0.0	-76.82	443.66	8.27	-68.55
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC(C(F)F)C1	REAL300012712368	0	55	0.0	-87.38	429.68	10.18	-77.20
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712370	0	52	0.0	-83.18	401.98	10.64	-72.54
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712371	0	54	0.0	-65.50	411.57	11.36	-54.14
CC1(C)CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1C(=O)[O-]	REAL300012712372	0	58	0.0	-87.95	427.50	11.45	-76.50
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712373	0	62	0.0	-90.49	452.01	13.22	-77.27
CC(C)CCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712374	0	60	0.0	-79.19	456.99	10.65	-68.54
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712375	0	59	0.0	-65.76	443.28	11.99	-53.77
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712376	0	59	0.0	-78.42	448.10	8.32	-70.10
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300012712377	0	56	0.0	-84.42	439.73	11.51	-72.91
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCCC2CC21	REAL300012712378	0	59	0.0	-84.12	434.79	11.23	-72.89
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCC2CC21	REAL300012712379	0	56	0.0	-85.83	419.21	10.58	-75.25
O=C([O-])C1(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC2(CCC2)C1	REAL300012712380	0	59	0.0	-84.63	440.17	10.91	-73.72
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCCC1	REAL300012712381	0	58	0.0	-80.77	432.93	10.16	-70.61
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712382	0	55	0.0	-80.16	426.23	7.87	-72.29
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712383	0	55	0.0	-87.35	419.73	10.37	-76.98
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712384	0	58	0.0	-66.94	453.34	13.40	-53.54
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300012712385	0	58	0.0	-66.05	437.72	11.29	-54.76
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712386	0	55	0.0	-86.51	417.35	11.60	-74.91
O=C([O-])C1N(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCC1(F)F	REAL300012712387	0	52	0.0	-88.53	406.85	10.63	-77.90
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712388	0	55	0.0	-78.31	424.37	11.16	-67.15
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712389	0	59	0.0	-89.04	434.37	11.71	-77.33
COCCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712390	0	58	0.0	-78.46	451.35	8.48	-69.98
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712391	0	57	0.0	-74.48	428.88	11.39	-63.09
CCOCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712392	0	55	0.0	-81.13	430.13	7.80	-73.33
CC(C)(C)CC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712393	0	60	0.0	-79.92	447.27	10.97	-68.95
O=C([O-])C(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCCCO1	REAL300012712394	0	59	0.0	-82.88	447.21	8.77	-74.11
C[C@H]1OCCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)[C@@H]1C(=O)[O-]	REAL300012712395	0	56	0.0	-87.26	417.49	9.86	-77.40
N#CCCC(NC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300012712396	0	52	0.0	-78.77	417.03	9.15	-69.62
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712397	0	55	0.0	-67.79	435.31	11.60	-56.19
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300012712398	0	51	0.0	-73.79	386.94	9.55	-64.24
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300012712399	0	59	0.0	-83.04	450.89	10.39	-72.65
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CN3C=CSC3=N2)CC1	REAL300012712559	0	50	0.0	-74.46	408.56	7.12	-67.34
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712686	0	54	0.0	-68.58	412.06	9.51	-59.07
C=CCOCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712687	0	53	0.0	-69.61	420.31	7.91	-61.70
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712688	0	52	0.0	-57.39	405.71	9.28	-48.11
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCOCC1	REAL300012712689	0	56	0.0	-69.58	424.20	8.18	-61.40
COC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012712690	0	56	0.0	-70.20	414.63	10.18	-60.02
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCCOC1	REAL300012712691	0	56	0.0	-57.29	418.65	7.95	-49.34
CC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012712692	0	55	0.0	-69.96	404.66	11.72	-58.24
CC1=CC(C(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C(=O)[O-])=CC=C1F	REAL300012712693	0	55	0.0	-57.01	437.05	10.91	-46.10
CC1=CC(C(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C(=O)[O-])=CC(C)=C1	REAL300012712694	0	58	0.0	-59.97	452.94	11.61	-48.36
CC1=CC=C(C(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C(=O)[O-])C=C1C	REAL300012712695	0	58	0.0	-60.08	448.53	11.49	-48.59
CC1=CC=CC(C(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C(=O)[O-])=C1C	REAL300012712696	0	58	0.0	-68.36	440.31	11.23	-57.13
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712697	0	51	0.0	-58.27	393.61	10.71	-47.56
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCC1	REAL300012712698	0	55	0.0	-60.13	405.93	11.01	-49.12
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(COC)C(=O)[O-]	REAL300012712699	0	58	0.0	-61.81	436.46	11.64	-50.17
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(CC)C(=O)[O-]	REAL300012712700	0	57	0.0	-56.20	419.88	11.57	-44.63
CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712701	0	51	0.0	-58.32	391.21	8.71	-49.61
O=C([O-])C1CCCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712702	0	52	0.0	-72.39	384.46	11.29	-61.10
O=C([O-])C1CSCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712703	0	50	0.0	-68.90	383.82	11.07	-57.83
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCCCC1	REAL300012712704	0	55	0.0	-60.35	403.68	10.35	-50.00
O=C([O-])C1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712705	0	49	0.0	-73.73	372.98	10.06	-63.67
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCCC1	REAL300012712706	0	52	0.0	-60.55	389.21	9.26	-51.29
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCCCCC1	REAL300012712707	0	58	0.0	-60.73	409.38	11.03	-49.70
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712708	0	55	0.0	-58.83	432.36	11.21	-47.62
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712709	0	55	0.0	-57.85	431.11	12.96	-44.89
O=C([O-])[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1=CC=CC=C1	REAL300012712710	0	52	0.0	-59.30	410.10	10.30	-49.00
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1=CC=CC=C1	REAL300012712711	0	52	0.0	-59.23	410.11	10.29	-48.94
CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712712	0	48	0.0	-57.48	373.93	8.20	-49.28
CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712713	0	51	0.0	-58.32	391.21	8.71	-49.61
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712714	0	45	0.0	-57.49	350.30	8.97	-48.52
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712715	0	55	0.0	-58.83	432.36	11.21	-47.62
CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712716	0	45	0.0	-53.91	352.35	7.12	-46.79
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712717	0	54	0.0	-58.74	404.83	9.12	-49.62
CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712718	0	45	0.0	-57.49	350.30	8.97	-48.52
O=C([O-])C1CCCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712719	0	52	0.0	-72.39	384.46	11.29	-61.10
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712720	0	54	0.0	-68.09	399.81	9.27	-58.82
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712721	0	51	0.0	-56.54	381.80	10.22	-46.32
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CC1	REAL300012712722	0	49	0.0	-57.54	377.08	10.34	-47.20
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712723	0	49	0.0	-57.96	384.92	10.52	-47.44
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712724	0	54	0.0	-58.11	408.02	11.02	-47.09
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712725	0	56	0.0	-69.95	421.91	13.21	-56.74
CC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712726	0	48	0.0	-54.76	364.92	7.51	-47.25
CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)(C(=O)[O-])C1CC1	REAL300012712727	0	52	0.0	-58.37	387.83	9.27	-49.10
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1=CC=CS1	REAL300012712728	0	49	0.0	-66.22	401.33	9.32	-56.90
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCCCC1	REAL300012712729	0	55	0.0	-60.35	403.68	10.35	-50.00
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712730	0	51	0.0	-56.54	381.80	10.22	-46.32
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712731	0	51	0.0	-58.27	393.61	10.71	-47.56
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712732	0	48	0.0	-57.37	372.11	9.95	-47.42
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712733	0	54	0.0	-68.15	403.77	9.08	-59.07
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCCC1	REAL300012712734	0	52	0.0	-60.55	389.21	9.26	-51.29
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712735	0	55	0.0	-55.66	437.50	13.04	-42.62
CCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712736	0	51	0.0	-67.73	378.31	8.51	-59.22
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC2=CC=CC=C2C1	REAL300012712737	0	56	0.0	-60.50	428.28	11.40	-49.10
CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012712738	0	55	0.0	-59.66	418.14	10.99	-48.67
C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712739	0	45	0.0	-57.64	352.36	7.13	-50.51
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712740	0	48	0.0	-57.37	372.11	9.95	-47.42
CCCCCCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712741	0	63	0.0	-68.26	464.31	11.60	-56.66
CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012712742	0	58	0.0	-57.76	441.68	13.19	-44.57
C[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712743	0	45	0.0	-54.39	352.65	7.09	-47.30
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1	REAL300012712744	0	46	0.0	-64.13	358.54	8.35	-55.78
O=C([O-])C1COCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712745	0	50	0.0	-67.60	375.42	8.66	-58.94
CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1(C(=O)[O-])CCCCC1	REAL300012712746	0	58	0.0	-61.27	413.00	11.67	-49.60
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CC1	REAL300012712747	0	49	0.0	-59.18	380.57	8.64	-50.54
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712748	0	58	0.0	-59.27	453.51	13.74	-45.53
CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012712749	0	55	0.0	-58.82	417.29	11.78	-47.04
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712750	0	52	0.0	-58.73	403.48	9.14	-49.59
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCC2=CC=CC=C21	REAL300012712751	0	56	0.0	-63.04	425.05	11.30	-51.74
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712752	0	49	0.0	-63.34	374.66	9.80	-53.54
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712753	0	52	0.0	-78.91	382.02	10.89	-68.02
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712754	0	48	0.0	-55.76	365.22	9.22	-46.54
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712755	0	49	0.0	-73.70	373.78	10.13	-63.57
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCC1	REAL300012712756	0	49	0.0	-62.18	375.34	8.85	-53.33
C=CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712757	0	49	0.0	-67.24	386.66	8.59	-58.65
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712758	0	52	0.0	-74.51	390.01	10.60	-63.91
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712759	0	55	0.0	-75.24	397.12	11.71	-63.53
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CC1	REAL300012712760	0	49	0.0	-59.18	380.57	8.64	-50.54
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712761	0	48	0.0	-55.75	365.20	9.21	-46.54
CCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712762	0	54	0.0	-57.94	417.17	9.68	-48.26
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712763	0	58	0.0	-59.27	453.51	13.74	-45.53
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712764	0	52	0.0	-75.25	387.16	11.27	-63.98
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCCC1	REAL300012712765	0	55	0.0	-58.30	408.44	11.53	-46.77
COCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712766	0	49	0.0	-69.65	385.55	6.36	-63.29
CCCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712767	0	57	0.0	-57.19	438.43	10.52	-46.67
CCC1CCC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012712768	0	61	0.0	-60.17	442.79	11.60	-48.57
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCOCC1	REAL300012712769	0	56	0.0	-58.51	416.88	9.86	-48.65
CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1(C(=O)[O-])CCCC1	REAL300012712770	0	55	0.0	-75.54	399.66	10.95	-64.59
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CC1	REAL300012712771	0	52	0.0	-59.90	390.58	10.55	-49.35
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CC1	REAL300012712772	0	55	0.0	-45.39	411.23	11.64	-33.75
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1=CC=CC=C1F	REAL300012712773	0	52	0.0	-72.65	413.91	10.30	-62.35
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712774	0	56	0.0	-47.20	425.34	12.62	-34.58
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712775	0	61	0.0	-57.82	454.31	11.42	-46.40
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712776	0	58	0.0	-58.54	439.16	13.59	-44.95
CC1=CC=C(C(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012712777	0	55	0.0	-68.19	431.73	10.90	-57.29
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712778	0	48	0.0	-61.43	390.11	8.82	-52.61
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCSCC1	REAL300012712779	0	53	0.0	-57.28	401.42	10.05	-47.23
COCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712780	0	52	0.0	-72.04	396.56	7.80	-64.24
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712781	0	55	0.0	-57.49	417.17	9.55	-47.94
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712782	0	54	0.0	-58.11	408.02	11.02	-47.09
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CC1	REAL300012712783	0	49	0.0	-57.54	377.08	10.34	-47.20
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712784	0	51	0.0	-59.16	411.74	11.09	-48.07
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCOC1	REAL300012712785	0	50	0.0	-66.51	379.84	6.65	-59.86
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCCCC1	REAL300012712786	0	58	0.0	-59.61	427.91	10.34	-49.27
CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(COC1CCC1)C(=O)[O-]	REAL300012712787	0	59	0.0	-67.40	443.11	11.01	-56.39
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCOCC1	REAL300012712788	0	53	0.0	-59.90	395.15	7.85	-52.05
C=CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712789	0	52	0.0	-57.07	408.24	9.52	-47.55
O=C([O-])C(CF)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712790	0	45	0.0	-53.98	355.80	7.15	-46.83
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712791	0	58	0.0	-35.01	435.55	13.77	-21.24
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712792	0	48	0.0	-55.75	365.20	9.21	-46.54
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712793	0	54	0.0	-69.53	394.99	9.40	-60.13
COC1=CC=C(C(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012712794	0	56	0.0	-67.87	439.79	9.52	-58.35
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712795	0	54	0.0	-57.21	405.19	11.46	-45.75
CCC(COC)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712796	0	55	0.0	-74.03	413.23	8.70	-65.33
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712797	0	58	0.0	-57.35	436.83	10.21	-47.14
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712798	0	52	0.0	-68.04	404.95	9.71	-58.33
COCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712799	0	52	0.0	-58.17	407.85	7.19	-50.98
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712800	0	57	0.0	-66.90	422.46	11.48	-55.42
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712801	0	48	0.0	-57.99	386.52	8.42	-49.57
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712802	0	58	0.0	-61.72	425.22	12.26	-49.46
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012712803	0	54	0.0	-55.15	403.84	10.77	-44.38
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712804	0	58	0.0	-35.55	436.68	13.84	-21.71
CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012712805	0	58	0.0	-60.11	435.11	11.88	-48.23
O=C([O-])C(CCF)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712806	0	48	0.0	-57.05	380.77	8.27	-48.78
COC1(CC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012712807	0	59	0.0	-60.22	445.92	9.15	-51.07
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCOCC1	REAL300012712808	0	56	0.0	-58.51	416.88	9.86	-48.65
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCCCC1	REAL300012712809	0	58	0.0	-58.49	425.84	12.23	-46.26
C[C@H]1CC[C@@](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012712810	0	58	0.0	-74.79	414.32	11.38	-63.41
COC1=CC=CC(C(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012712811	0	56	0.0	-70.02	439.81	9.50	-60.52
CC(CCF)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712812	0	51	0.0	-65.21	384.90	8.65	-56.56
O=C([O-])C1C2=C(CCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)OC=C2	REAL300012712813	0	53	0.0	-59.57	407.98	10.84	-48.73
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712814	0	49	0.0	-58.21	387.55	9.97	-48.24
COC1=CC=CC([C@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C(=O)[O-])=C1	REAL300012712815	0	56	0.0	-70.02	439.82	9.50	-60.52
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712816	0	48	0.0	-63.65	364.68	9.11	-54.54
CC1(C)CCCC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012712817	0	61	0.0	-61.14	431.64	11.23	-49.91
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712818	0	50	0.0	-73.76	380.27	10.69	-63.07
COC1CN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C(C)(C(=O)[O-])C1	REAL300012712819	0	56	0.0	-60.74	422.84	9.63	-51.11
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712820	0	59	0.0	-65.77	441.09	9.73	-56.04
CC(C)(C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712821	0	54	0.0	-69.82	404.98	9.26	-60.56
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712822	0	49	0.0	-68.54	403.45	9.19	-59.35
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712823	0	52	0.0	-68.05	407.19	9.35	-58.70
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712824	0	53	0.0	-76.91	395.05	11.49	-65.42
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712825	0	49	0.0	-66.20	386.88	10.29	-55.91
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712826	0	49	0.0	-72.33	379.46	10.14	-62.19
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300012712827	0	50	0.0	-73.75	383.83	10.77	-62.98
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712828	0	59	0.0	-70.96	445.64	8.95	-62.01
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712829	0	54	0.0	-68.58	412.06	9.51	-59.07
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCOCC1	REAL300012712830	0	56	0.0	-69.58	424.20	8.18	-61.40
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1=CC=CC=C1	REAL300012712831	0	52	0.0	-59.23	410.11	10.29	-48.94
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712832	0	52	0.0	-68.04	404.95	9.71	-58.33
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712833	0	51	0.0	-65.98	419.14	8.32	-57.66
CC(C)CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712834	0	60	0.0	-57.21	456.00	11.04	-46.17
O=C([O-])C(CC1CCCO1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712835	0	56	0.0	-62.35	430.37	8.52	-53.83
CSCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712836	0	49	0.0	-64.57	397.65	8.55	-56.02
COC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712837	0	49	0.0	-69.97	386.05	6.39	-63.58
CC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712838	0	48	0.0	-68.35	374.19	8.14	-60.21
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712839	0	55	0.0	-57.97	439.03	11.24	-46.73
CCC(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712840	0	57	0.0	-58.47	431.24	10.09	-48.38
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712841	0	55	0.0	-57.27	429.74	10.31	-46.96
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712842	0	55	0.0	-67.18	438.94	11.23	-55.95
O=C([O-])C1CSCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712843	0	50	0.0	-68.90	383.82	11.07	-57.83
CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012712844	0	55	0.0	-59.66	418.14	10.99	-48.67
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712845	0	49	0.0	-63.34	374.66	9.80	-53.54
CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712846	0	51	0.0	-57.41	395.43	8.96	-48.45
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712847	0	51	0.0	-58.33	391.23	8.73	-49.60
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712848	0	53	0.0	-78.52	391.53	12.28	-66.24
CCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012712849	0	54	0.0	-59.79	398.86	10.91	-48.88
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012712850	0	54	0.0	-55.15	403.84	10.77	-44.38
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712851	0	48	0.0	-55.33	386.72	10.46	-44.87
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712852	0	48	0.0	-55.33	386.72	10.46	-44.87
CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012712853	0	51	0.0	-59.99	379.41	10.03	-49.96
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712854	0	49	0.0	-73.70	373.78	10.13	-63.57
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712855	0	50	0.0	-64.75	384.93	6.36	-58.39
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712856	0	56	0.0	-38.18	422.79	13.04	-25.14
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712857	0	51	0.0	-57.39	395.42	8.97	-48.42
O=C([O-])[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1=CC=CC=C1	REAL300012712858	0	52	0.0	-59.30	410.10	10.30	-49.00
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712859	0	57	0.0	-70.58	450.46	10.16	-60.42
C=CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712860	0	52	0.0	-57.07	408.24	9.52	-47.55
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712861	0	51	0.0	-60.31	418.88	8.21	-52.10
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712862	0	52	0.0	-79.01	403.42	7.62	-71.39
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1=O	REAL300012712863	0	53	0.0	-63.16	401.00	9.34	-53.82
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712864	0	52	0.0	-61.52	387.99	10.51	-51.01
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712865	0	51	0.0	-68.58	386.88	8.47	-60.11
O=C([O-])[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1=CC=CC=C1	REAL300012712866	0	52	0.0	-68.23	410.32	10.21	-58.02
CC(CN1C=CC=N1)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712867	0	55	0.0	-61.30	419.77	9.56	-51.74
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712868	0	48	0.0	-63.65	364.68	9.11	-54.54
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712869	0	51	0.0	-68.40	395.69	8.91	-59.49
CCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012712870	0	51	0.0	-66.21	383.14	10.06	-56.15
O=C([O-])CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCCC1	REAL300012712871	0	55	0.0	-58.30	408.44	11.53	-46.77
CC(CN(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712872	0	51	0.0	-64.93	384.53	9.61	-55.32
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712873	0	54	0.0	-68.15	403.77	9.08	-59.07
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712874	0	51	0.0	-65.98	384.61	10.14	-55.84
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC(CO)C1	REAL300012712875	0	53	0.0	-62.95	407.60	6.14	-56.81
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712876	0	61	0.0	-71.15	458.19	9.42	-61.73
CC1CCC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012712877	0	55	0.0	-60.87	410.26	9.88	-50.99
CC1(C)CCCC1(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712878	0	58	0.0	-72.85	419.69	10.62	-62.23
COCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712879	0	52	0.0	-58.17	407.85	7.19	-50.98
CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012712880	0	58	0.0	-57.76	441.68	13.19	-44.57
CC1(C)CC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012712881	0	55	0.0	-62.64	411.77	10.56	-52.08
CC1(C(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C(=O)[O-])CC1	REAL300012712882	0	52	0.0	-58.80	395.65	9.49	-49.31
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712883	0	61	0.0	-58.44	457.98	9.42	-49.02
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712884	0	50	0.0	-65.98	380.70	7.20	-58.78
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCOC1	REAL300012712885	0	53	0.0	-56.14	401.34	7.15	-48.99
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712886	0	53	0.0	-76.78	393.87	11.18	-65.60
O=C([O-])C12COC(CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C2	REAL300012712887	0	51	0.0	-69.63	387.17	8.94	-60.69
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300012712888	0	55	0.0	-71.96	405.22	11.92	-60.04
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712889	0	58	0.0	-57.61	447.70	11.51	-46.10
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712890	0	59	0.0	-57.18	442.15	12.00	-45.18
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCC1	REAL300012712891	0	52	0.0	-57.72	393.84	9.10	-48.62
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCCCC1	REAL300012712892	0	58	0.0	-59.61	427.91	10.34	-49.27
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCC1	REAL300012712893	0	52	0.0	-57.72	393.84	9.10	-48.62
CC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1C(=O)[O-]	REAL300012712894	0	52	0.0	-63.79	389.15	10.22	-53.57
C=CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712895	0	49	0.0	-67.24	386.66	8.59	-58.65
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712896	0	59	0.0	-56.70	446.17	9.93	-46.77
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712897	0	59	0.0	-37.75	414.66	11.47	-26.28
CC1(C)CC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)(C(=O)[O-])CCO1	REAL300012712898	0	59	0.0	-60.59	424.23	9.15	-51.44
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712899	0	53	0.0	-39.94	389.91	10.64	-29.30
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712900	0	59	0.0	-57.18	442.15	12.00	-45.18
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712901	0	55	0.0	-60.14	438.78	11.28	-48.86
COC1CC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012712902	0	53	0.0	-64.59	408.65	7.81	-56.78
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC(F)(F)C1	REAL300012712903	0	49	0.0	-60.93	383.81	8.86	-52.07
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012712904	0	53	0.0	-67.61	406.89	7.73	-59.88
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1(C(F)(F)F)CC1	REAL300012712905	0	52	0.0	-60.66	414.32	9.90	-50.76
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712906	0	55	0.0	-65.00	403.32	11.84	-53.16
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712907	0	48	0.0	-61.43	390.11	8.82	-52.61
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712908	0	56	0.0	-70.73	429.04	8.21	-62.52
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)COC1	REAL300012712909	0	47	0.0	-57.36	366.16	5.90	-51.46
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712910	0	52	0.0	-69.25	423.64	10.23	-59.02
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712911	0	54	0.0	-57.30	393.23	9.14	-48.16
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712912	0	50	0.0	-71.61	376.40	11.76	-59.85
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712913	0	53	0.0	-62.59	393.31	11.49	-51.10
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712914	0	58	0.0	-35.55	436.68	13.84	-21.71
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712915	0	61	0.0	-57.82	454.31	11.42	-46.40
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712916	0	58	0.0	-68.81	454.76	11.95	-56.86
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712917	0	58	0.0	-59.22	455.57	11.93	-47.29
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CC2CCC1C2	REAL300012712918	0	59	0.0	-59.00	435.96	11.00	-48.00
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712919	0	61	0.0	-58.50	454.57	11.36	-47.14
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712920	0	61	0.0	-69.92	454.54	11.36	-58.56
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712921	0	59	0.0	-38.22	432.77	11.97	-26.25
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712922	0	59	0.0	-65.11	430.71	11.84	-53.27
C=CCSCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712923	0	53	0.0	-63.96	431.25	10.03	-53.93
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712924	0	54	0.0	-56.21	398.89	10.95	-45.26
COC1(C(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012712925	0	56	0.0	-64.93	421.79	7.81	-57.12
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC(C(F)F)C1	REAL300012712926	0	52	0.0	-57.67	405.45	9.59	-48.08
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712928	0	49	0.0	-72.33	379.46	10.14	-62.19
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712929	0	51	0.0	-56.37	388.47	10.82	-45.55
CC1(C)CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1C(=O)[O-]	REAL300012712930	0	55	0.0	-64.58	409.11	10.71	-53.87
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712931	0	59	0.0	-67.64	429.45	12.73	-54.91
CC(C)CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712932	0	57	0.0	-58.05	434.74	10.19	-47.86
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712933	0	56	0.0	-56.34	420.77	11.48	-44.86
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712934	0	56	0.0	-70.73	429.04	8.21	-62.52
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300012712935	0	53	0.0	-70.82	413.06	11.90	-58.92
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCCC2CC21	REAL300012712936	0	56	0.0	-75.27	409.52	11.00	-64.27
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCC2CC21	REAL300012712937	0	53	0.0	-74.49	396.65	10.09	-64.40
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC2(CCC2)C1	REAL300012712938	0	56	0.0	-60.71	417.96	10.47	-50.24
CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012712939	0	58	0.0	-58.27	443.20	13.13	-45.14
O=C([O-])C1CC2(CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)CCCCC2	REAL300012712940	0	62	0.0	-38.46	447.07	12.46	-26.00
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCCC1	REAL300012712941	0	55	0.0	-58.12	415.95	9.87	-48.25
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712942	0	52	0.0	-69.95	404.19	7.39	-62.56
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712943	0	52	0.0	-68.54	386.27	9.30	-59.24
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712944	0	55	0.0	-57.85	431.11	12.96	-44.89
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300012712945	0	55	0.0	-38.59	410.87	10.80	-27.79
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712946	0	52	0.0	-68.45	395.10	11.16	-57.29
O=C([O-])C1N(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCC1(F)F	REAL300012712947	0	49	0.0	-77.41	384.64	10.20	-67.21
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712948	0	55	0.0	-60.14	438.78	11.28	-48.86
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712949	0	52	0.0	-69.06	423.43	10.06	-59.00
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712950	0	52	0.0	-66.45	402.14	10.74	-55.71
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712951	0	52	0.0	-69.06	423.43	10.06	-59.00
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712952	0	56	0.0	-65.13	411.46	11.41	-53.72
COCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712953	0	55	0.0	-57.28	429.11	8.03	-49.25
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712954	0	54	0.0	-66.21	406.09	10.91	-55.30
CCOCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712955	0	52	0.0	-70.12	407.40	7.34	-62.78
CC(C)(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712956	0	57	0.0	-69.26	424.15	10.55	-58.71
O=C([O-])C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CCCCO1	REAL300012712957	0	56	0.0	-60.72	424.68	8.30	-52.42
O=C([O-])C1(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC2=CC=CC=C2C1	REAL300012712958	0	56	0.0	-60.50	428.28	11.40	-49.10
C[C@H]1OCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)[C@@H]1C(=O)[O-]	REAL300012712959	0	53	0.0	-67.40	394.90	9.38	-58.02
N#CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300012712960	0	49	0.0	-58.76	394.79	8.70	-50.06
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712961	0	52	0.0	-58.33	412.77	11.10	-47.23
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300012712962	0	48	0.0	-55.76	365.22	9.22	-46.54
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300012712963	0	56	0.0	-69.50	427.26	10.09	-59.41
CC[NH+](CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713500	0	60	0.0	-67.84	436.61	8.28	-59.56
C=CCOCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713501	0	59	0.0	-69.89	452.28	6.51	-63.38
C=CC(C)C(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713502	0	58	0.0	-61.25	434.63	7.77	-53.48
CC[NH+](CC)C(CNC(=O)N1CCC(C)CC1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713503	0	61	0.0	-76.44	418.41	10.90	-65.54
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300012713504	0	57	0.0	-44.21	422.04	9.71	-34.50
CC[NH+](CC)C(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)C1=CC=CC(OC)=C1	REAL300012713505	0	61	0.0	-48.30	426.85	10.54	-37.76
CCCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(CC)C(=O)[O-]	REAL300012713506	0	63	0.0	-71.50	449.87	10.30	-61.20
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)C1=CC=CC(OC)=C1	REAL300012713507	0	57	0.0	-67.27	420.92	7.28	-59.99
CC[NH+](CC)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713508	0	58	0.0	-79.00	406.71	10.02	-68.98
CC[NH+](CC)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713509	0	56	0.0	-45.07	413.66	8.77	-36.30
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CC(OC)=C1	REAL300012713510	0	61	0.0	-72.13	426.75	9.80	-62.33
CC[NH+](CC)C(CNC(=O)N1CCCC1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713511	0	55	0.0	-73.71	400.19	9.18	-64.53
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC(OC)=C1	REAL300012713512	0	58	0.0	-71.95	411.66	8.66	-63.29
CC[NH+](CC)C(CNC(=O)NCC(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713513	0	48	0.0	-56.82	363.18	4.83	-51.99
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(OC)=C1	REAL300012713514	0	58	0.0	-66.85	430.57	9.60	-57.25
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(OC)=C1	REAL300012713515	0	58	0.0	-64.14	441.33	8.77	-55.37
CCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713516	0	54	0.0	-68.02	405.80	6.67	-61.35
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C(C)C)C1=CC=CC(OC)=C1	REAL300012713517	0	57	0.0	-67.27	420.92	7.28	-59.99
CC[NH+](CC)C(CNC(=O)N(C)CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713518	0	51	0.0	-73.41	374.17	7.76	-65.65
CC[NH+](CC)C(CNC(=O)NC(C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713519	0	51	0.0	-58.27	383.97	5.65	-52.62
CCC(C)C(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713520	0	60	0.0	-62.91	435.38	7.61	-55.30
CC[NH+](CC)C(CNC(=O)N(C)CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713521	0	51	0.0	-73.41	374.17	7.76	-65.65
CC[NH+](CC)C(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713522	0	58	0.0	-79.00	406.71	10.02	-68.98
CCCC(C)(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713523	0	60	0.0	-67.41	431.44	7.81	-59.60
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)C1=CC=CC(OC)=C1	REAL300012713524	0	57	0.0	-75.66	405.90	9.03	-66.63
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC(OC)=C1	REAL300012713525	0	55	0.0	-48.30	388.32	10.13	-38.17
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300012713526	0	55	0.0	-44.07	413.35	9.52	-34.55
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(C)C)C1=CC=CC(OC)=C1	REAL300012713527	0	60	0.0	-43.66	436.41	10.23	-33.43
CC[NH+](CC)C(CNC(=O)NC(C)(C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713528	0	54	0.0	-56.23	396.55	6.05	-50.18
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=CC(OC)=C1	REAL300012713529	0	58	0.0	-69.06	419.44	7.80	-61.26
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=CC(OC)=C1	REAL300012713530	0	61	0.0	-72.13	426.75	9.80	-62.33
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C(C)C)C1=CC=CC(OC)=C1	REAL300012713531	0	57	0.0	-75.66	405.90	9.03	-66.63
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300012713532	0	57	0.0	-44.21	422.04	9.71	-34.50
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300012713533	0	54	0.0	-73.37	402.20	8.79	-64.58
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713534	0	60	0.0	-63.50	436.32	7.68	-55.82
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=CC(OC)=C1	REAL300012713535	0	58	0.0	-71.95	411.66	8.66	-63.29
CC[NH+](CC)C(CNC(=O)NC(C)(CC)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713536	0	57	0.0	-67.18	409.94	7.04	-60.14
CC[NH+](CC)C(CNC(=O)N[C@@H](C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713537	0	51	0.0	-58.33	372.39	6.54	-51.79
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300012713538	0	54	0.0	-73.37	402.20	8.79	-64.58
CC[NH+](CC)C(CNC(=O)N[C@H](C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713539	0	51	0.0	-57.72	372.87	6.47	-51.25
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC1)C1=CC=CC(OC)=C1	REAL300012713540	0	52	0.0	-73.08	381.57	7.79	-65.29
CC[NH+](CC)C(CNC(=O)N1CCOCC1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713541	0	56	0.0	-75.55	393.74	8.43	-67.12
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC(OC)=C1	REAL300012713542	0	55	0.0	-67.86	401.31	8.01	-59.85
CC[NH+](CC)C(CNC(=O)N(CCOC)CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713543	0	58	0.0	-44.88	431.76	8.13	-36.75
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713544	0	55	0.0	-73.96	400.60	8.51	-65.45
CC[NH+](CC)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713545	0	58	0.0	-69.87	417.96	8.29	-61.58
CC[NH+](CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713546	0	54	0.0	-69.06	388.51	7.90	-61.16
CC[NH+](CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713547	0	55	0.0	-75.49	392.11	9.60	-65.89
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC1)C1=CC=CC(OC)=C1	REAL300012713548	0	55	0.0	-72.71	398.36	8.29	-64.42
C=CCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713549	0	55	0.0	-67.40	418.84	7.19	-60.21
CC[NH+](CC)C(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713550	0	58	0.0	-71.97	414.02	9.23	-62.74
CC[NH+](CC)C(CNC(=O)N1CCCCCC1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713551	0	61	0.0	-74.13	416.83	10.90	-63.23
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=CC(OC)=C1	REAL300012713552	0	55	0.0	-67.86	401.31	8.01	-59.85
CC[NH+](CC)C(CNC(=O)N(C)C(C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713553	0	54	0.0	-69.16	388.99	7.99	-61.17
CCCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713554	0	60	0.0	-68.01	448.80	8.22	-59.79
CC[NH+](CC)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713555	0	58	0.0	-73.76	409.31	9.80	-63.96
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CC(OC)=C1	REAL300012713556	0	61	0.0	-55.29	432.43	10.28	-45.01
CC[NH+](CC)C(CNC(=O)NC(COC)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713557	0	55	0.0	-69.28	417.66	4.92	-64.36
CCCCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713558	0	63	0.0	-67.63	470.06	9.06	-58.57
CC[NH+](CC)C(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)C1=CC=CC(OC)=C1	REAL300012713559	0	61	0.0	-72.13	424.48	10.05	-62.08
CC[NH+](CC)C(CNC(=O)N(C(C)C(=O)[O-])C1CC1)C1=CC=CC(OC)=C1	REAL300012713560	0	58	0.0	-61.21	406.30	10.30	-50.91
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C1CC1	REAL300012713561	0	61	0.0	-60.93	426.32	11.38	-49.55
CC[NH+](CC)C(CNC(=O)NC(C)(COC)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713562	0	58	0.0	-71.73	428.19	6.32	-65.41
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300012713563	0	61	0.0	-70.95	440.98	8.33	-62.62
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])CC(C)C)C1=CC=CC(OC)=C1	REAL300012713564	0	60	0.0	-43.66	436.41	10.23	-33.43
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=CC(OC)=C1	REAL300012713565	0	55	0.0	-48.30	388.32	10.13	-38.17
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CC=CC(OC)=C1	REAL300012713566	0	56	0.0	-64.66	402.76	6.10	-58.56
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)C1=CC=CC(OC)=C1	REAL300012713567	0	59	0.0	-71.50	418.18	7.29	-64.21
C=CCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713568	0	58	0.0	-67.50	439.87	8.06	-59.44
CC[NH+](CC)C(CNC(=O)NC(CF)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713569	0	51	0.0	-55.36	387.59	5.66	-49.70
CC[NH+](CC)C(CNC(=O)N(C)C(C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713570	0	54	0.0	-69.16	388.99	7.99	-61.17
CC[NH+](CC)C(CNC(=O)NC(CC)(CC)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713571	0	60	0.0	-68.69	426.32	7.94	-60.75
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300012713572	0	60	0.0	-40.74	429.75	10.23	-30.51
CC[NH+](CC)C(CNC(=O)NC(CC)(COC)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713573	0	61	0.0	-73.47	444.62	7.25	-66.22
CC[NH+](CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713574	0	58	0.0	-68.06	437.92	8.10	-59.96
CC[NH+](CC)C(CNC(=O)NC(CCOC)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713575	0	58	0.0	-68.58	439.48	5.73	-62.85
CC[NH+](CC)C(CNC(=O)N(C)C(CC(C)C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713576	0	63	0.0	-70.59	447.25	10.33	-60.26
CC[NH+](CC)C(CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713577	0	54	0.0	-68.10	418.15	6.96	-61.14
CCCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012713578	0	60	0.0	-38.61	400.61	10.57	-28.04
CC[NH+](CC)C(CNC(=O)NC(CCF)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713579	0	54	0.0	-67.33	412.39	6.81	-60.52
CC[NH+](CC)C(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713580	0	57	0.0	-64.63	416.53	7.18	-57.45
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713581	0	55	0.0	-65.72	407.76	9.05	-56.67
CC[NH+](CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713582	0	54	0.0	-63.08	388.84	7.82	-55.26
CC[NH+](CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC=CC(OC)=C1	REAL300012713583	0	56	0.0	-78.93	400.38	9.47	-69.46
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC=CC(OC)=C1	REAL300012713584	0	60	0.0	-63.66	435.92	7.86	-55.80
C=C(Cl)CC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713585	0	55	0.0	-63.65	434.27	7.80	-55.85
C=C(C)CC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713586	0	58	0.0	-68.94	437.38	7.97	-60.97
CC[NH+](CC)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CC=CC(OC)=C1	REAL300012713587	0	59	0.0	-84.13	416.71	10.24	-73.89
CC[NH+](CC)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713588	0	55	0.0	-67.57	406.69	9.08	-58.49
CC[NH+](CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713589	0	55	0.0	-74.28	399.32	9.67	-64.61
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=CC(OC)=C2)[NH+](CC)CC)C1	REAL300012713590	0	56	0.0	-75.06	413.43	8.99	-66.07
CC[NH+](CC)C(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713591	0	60	0.0	-67.84	436.61	8.28	-59.56
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(OC)=C1	REAL300012713592	0	58	0.0	-64.14	441.33	8.77	-55.37
CC[NH+](CC)C(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713593	0	58	0.0	-68.06	437.92	8.10	-59.96
CC[NH+](CC)C(CNC(=O)NC(CSC)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713594	0	55	0.0	-64.79	429.50	7.02	-57.77
CC[NH+](CC)C(CNC(=O)N[C@@H](COC)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713595	0	55	0.0	-63.95	417.19	4.91	-59.04
CC[C@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713596	0	54	0.0	-62.83	404.98	6.71	-56.12
CCC(C)CC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713597	0	63	0.0	-74.32	452.02	8.79	-65.53
C=CCCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713598	0	61	0.0	-67.80	461.37	8.84	-58.96
CC[NH+](CC)C(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713599	0	56	0.0	-45.07	413.66	8.77	-36.30
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713600	0	55	0.0	-73.96	400.60	8.51	-65.45
CCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713601	0	57	0.0	-68.02	427.30	7.44	-60.58
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)C1=CC=CC(OC)=C1	REAL300012713602	0	57	0.0	-66.03	411.43	8.10	-57.93
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713603	0	59	0.0	-83.42	418.82	11.04	-72.38
CCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(C)(C)C(=O)[O-]	REAL300012713604	0	60	0.0	-69.40	421.85	9.93	-59.47
CCCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012713605	0	60	0.0	-38.61	400.61	10.57	-28.04
CC[NH+](CC)C(CNC(=O)N(C)C(C)(C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713606	0	57	0.0	-77.26	403.20	8.78	-68.48
CC[NH+](CC)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713607	0	55	0.0	-75.49	392.11	9.60	-65.89
CC[NH+](CC)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713608	0	56	0.0	-83.05	408.38	5.44	-77.61
CCC[C@@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713609	0	57	0.0	-65.77	415.89	8.29	-57.48
CC[NH+](CC)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(OC)=C1	REAL300012713610	0	58	0.0	-66.85	430.57	9.60	-57.25
C=CCCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713611	0	58	0.0	-67.50	439.87	8.06	-59.44
CC[NH+](CC)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713612	0	58	0.0	-80.92	413.43	10.07	-70.85
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)C1=CC=CC(OC)=C1	REAL300012713613	0	57	0.0	-63.90	418.49	7.00	-56.90
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(OC)=C1	REAL300012713614	0	58	0.0	-69.11	430.52	9.61	-59.50
CC[NH+](CC)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713615	0	54	0.0	-63.08	388.84	7.82	-55.26
CCC[C@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713616	0	57	0.0	-63.69	427.30	7.44	-56.25
CCN(C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(C)C(=O)[O-]	REAL300012713617	0	57	0.0	-69.72	411.37	8.62	-61.10
CC[NH+](CC)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=CC(OC)=C1	REAL300012713618	0	61	0.0	-55.29	432.43	10.28	-45.01
CC[NH+](CC)C(CNC(=O)N(C)CC(C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713619	0	57	0.0	-74.10	407.91	8.46	-65.64
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713620	0	60	0.0	-63.50	436.32	7.68	-55.82
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300012713621	0	57	0.0	-67.32	404.49	9.52	-57.80
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CC=CC(OC)=C1	REAL300012713622	0	59	0.0	-77.70	428.90	5.46	-72.24
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)C1=CC=CC(OC)=C1	REAL300012713623	0	61	0.0	-69.49	429.54	9.46	-60.03
CC[NH+](CC)C(CNC(=O)NC(CCOC)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713624	0	58	0.0	-68.58	439.48	5.73	-62.85
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CC=CC(OC)=C1	REAL300012713625	0	61	0.0	-69.21	439.53	9.55	-59.66
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=CC(OC)=C1	REAL300012713626	0	58	0.0	-68.27	427.33	8.66	-59.61
CC[NH+](CC)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713627	0	56	0.0	-75.97	404.63	5.69	-70.28
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CC=CC(OC)=C1	REAL300012713628	0	59	0.0	-68.54	432.58	5.71	-62.83
CC[NH+](CC)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713629	0	59	0.0	-75.95	421.38	10.02	-65.93
CC[NH+](CC)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CC=CC(OC)=C1	REAL300012713630	0	57	0.0	-76.72	408.95	7.49	-69.23
CC[NH+](CC)C(CNC(=O)N1CC(C)CCC1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713631	0	61	0.0	-77.94	425.58	11.38	-66.56
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC(OC)=C1	REAL300012713632	0	58	0.0	-68.10	430.67	7.72	-60.38
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=CC(OC)=C1	REAL300012713633	0	58	0.0	-68.10	430.67	7.72	-60.38
CC[NH+](CC)C(CNC(=O)N1CCC(C)C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713634	0	58	0.0	-75.07	413.82	9.49	-65.58
C=CCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713635	0	55	0.0	-67.40	418.84	7.19	-60.21
CC[NH+](CC)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713636	0	59	0.0	-47.79	426.36	9.54	-38.25
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(OC)C1)C1=CC=CC(OC)=C1	REAL300012713637	0	59	0.0	-72.91	431.72	7.25	-65.66
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1=CC=CC(OC)=C1	REAL300012713638	0	55	0.0	-68.97	406.79	8.32	-60.65
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)C1=CC=CC(OC)=C1	REAL300012713639	0	59	0.0	-66.03	432.10	6.71	-59.32
CC[NH+](CC)C(CNC(=O)N1CCCC1(CC)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713640	0	61	0.0	-74.99	427.12	10.42	-64.57
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])COC1)C1=CC=CC(OC)=C1	REAL300012713641	0	53	0.0	-66.13	389.33	5.31	-60.82
CC[NH+](CC)C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)C1=CC=CC(OC)=C1	REAL300012713642	0	60	0.0	-68.30	426.68	7.73	-60.57
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713643	0	56	0.0	-75.32	400.36	10.47	-64.85
CC[NH+](CC)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713644	0	59	0.0	-83.20	419.39	9.98	-73.22
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300012713645	0	60	0.0	-70.97	428.41	9.59	-61.38
CC[NH+](CC)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713646	0	55	0.0	-74.28	399.32	9.67	-64.61
CC[NH+](CC)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713647	0	57	0.0	-47.99	410.13	10.17	-37.82
CC[NH+](CC)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713648	0	61	0.0	-76.62	424.12	10.48	-66.14
CC[NH+](CC)C(CNC(=O)NC(CCC(C)C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713649	0	63	0.0	-67.84	466.13	8.80	-59.04
CC[NH+](CC)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CC=CC(OC)=C1	REAL300012713650	0	59	0.0	-70.20	422.39	9.00	-61.20
CC[NH+](CC)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CC=CC(OC)=C1	REAL300012713651	0	61	0.0	-68.92	447.59	8.40	-60.52
CC[NH+](CC)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C1=CC=CC(OC)=C1	REAL300012713652	0	58	0.0	-64.42	435.80	5.92	-58.50
CC[NH+](CC)C(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)C1=CC=CC(OC)=C1	REAL300012713653	0	58	0.0	-74.32	423.69	8.84	-65.48
CC[NH+](CC)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713654	0	61	0.0	-39.58	435.56	9.44	-30.14
CC[NH+](CC)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713655	0	55	0.0	-78.32	404.13	9.36	-68.96
CC[NH+](CC)C(CNC(=O)NC(CCCOC)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713656	0	61	0.0	-67.02	460.97	6.51	-60.51
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300012713657	0	60	0.0	-70.54	430.95	9.84	-60.70
CCOCC(NC(=O)NCC(C1=CC=CC(OC)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300012713658	0	58	0.0	-69.59	439.51	5.89	-63.70
CC[NH+](CC)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713659	0	63	0.0	-67.78	455.07	9.34	-58.44
CC[NH+](CC)C(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713660	0	59	0.0	-45.17	426.96	7.05	-38.12
CC[NH+](CC)C(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713661	0	55	0.0	-70.36	426.41	7.24	-63.12
CC[NH+](CC)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012713662	0	54	0.0	-69.06	388.51	7.90	-61.16
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCCC2=CC=CC=C2)CC1	REAL300012714023	0	59	0.0	-59.55	450.46	9.51	-50.04
COC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012714619	0	53	0.0	-64.88	418.22	4.10	-60.78
CC(C)C[C@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714737	1	51	0.0	-67.14	397.81	4.78	-62.36
C=CC(C)C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714739	1	49	0.0	-67.24	383.87	4.21	-63.03
COC1CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C(C(=O)[O-])C1	REAL300012714741	1	53	0.0	-79.03	401.84	5.56	-73.47
CC1CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C(C(=O)[O-])C1	REAL300012714743	1	52	0.0	-76.99	389.82	6.90	-70.09
CC1=CC(C(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C(=O)[O-])=CC(C)=C1	REAL300012714744	1	55	0.0	-69.36	438.31	6.77	-62.59
CC1=CC=C(C(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C(=O)[O-])C=C1C	REAL300012714745	1	55	0.0	-70.68	433.96	6.66	-64.02
CC1=CC=CC(C(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C(=O)[O-])=C1C	REAL300012714746	1	55	0.0	-67.94	424.94	6.52	-61.42
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714747	1	48	0.0	-51.12	378.78	5.96	-45.16
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CCC1	REAL300012714748	1	52	0.0	-43.43	387.69	6.98	-36.45
CCCN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(COC)C(=O)[O-]	REAL300012714749	1	55	0.0	-72.37	420.61	6.89	-65.48
CCCN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(CC)C(=O)[O-]	REAL300012714750	1	54	0.0	-56.26	404.36	6.80	-49.46
CC(C)C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714751	1	48	0.0	-69.33	371.47	3.71	-65.62
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714752	1	49	0.0	-77.95	369.44	6.57	-71.38
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714753	1	47	0.0	-75.07	369.02	6.31	-68.76
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCCCC1	REAL300012714754	1	52	0.0	-72.77	388.88	5.59	-67.18
O=C([O-])C1CCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714755	1	46	0.0	-73.28	358.10	5.30	-67.98
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCCC1	REAL300012714756	1	49	0.0	-72.70	374.37	4.49	-68.21
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCCCCC1	REAL300012714757	1	55	0.0	-73.68	394.51	6.26	-67.42
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714758	1	52	0.0	-68.42	417.55	6.46	-61.96
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714759	1	52	0.0	-51.06	416.28	8.20	-42.86
O=C([O-])[C@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012714760	1	49	0.0	-69.90	395.53	5.46	-64.44
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012714761	1	49	0.0	-68.48	395.54	5.46	-63.02
CCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714762	1	45	0.0	-69.02	359.36	3.39	-65.63
CC(C)C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714763	1	48	0.0	-69.33	371.47	3.71	-65.62
CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714764	1	42	0.0	-68.30	335.48	4.22	-64.08
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714765	1	52	0.0	-68.42	417.55	6.46	-61.96
CC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714766	1	42	0.0	-58.86	337.36	2.38	-56.48
CCC(C)C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714767	1	51	0.0	-69.93	390.02	4.36	-65.57
CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714768	1	42	0.0	-68.30	335.48	4.22	-64.08
O=C([O-])C1CCCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714769	1	49	0.0	-77.95	369.44	6.57	-71.38
CCCC(C)(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714770	1	51	0.0	-68.85	385.00	4.50	-64.35
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714771	1	48	0.0	-52.23	367.42	5.47	-46.76
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CC1	REAL300012714772	1	46	0.0	-69.27	362.22	5.58	-63.69
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714773	1	46	0.0	-50.94	370.10	5.76	-45.18
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714774	1	51	0.0	-50.47	393.20	6.26	-44.21
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714775	1	53	0.0	-77.83	407.06	8.44	-69.39
CC(C)(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714776	1	45	0.0	-57.85	350.10	2.76	-55.09
CC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)(C(=O)[O-])C1CC1	REAL300012714777	1	49	0.0	-70.36	372.99	4.50	-65.86
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1=CC=CS1	REAL300012714778	1	46	0.0	-65.94	386.51	4.56	-61.38
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCCCC1	REAL300012714779	1	52	0.0	-72.77	388.88	5.59	-67.18
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714780	1	48	0.0	-52.23	367.42	5.47	-46.76
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714781	1	48	0.0	-51.12	378.78	5.96	-45.16
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714782	1	45	0.0	-68.64	357.29	5.20	-63.44
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714783	1	51	0.0	-69.90	390.60	4.34	-65.56
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCCC1	REAL300012714784	1	49	0.0	-72.70	374.37	4.49	-68.21
CCC(C)(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714785	1	48	0.0	-68.47	363.50	3.74	-64.73
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC2=CC=CC=C2C1	REAL300012714786	1	53	0.0	-71.15	413.47	6.63	-64.52
CC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012714787	1	52	0.0	-70.45	403.32	6.23	-64.22
C[C@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714788	1	42	0.0	-59.62	337.37	2.38	-57.24
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714789	1	45	0.0	-68.64	357.29	5.20	-63.44
CCCCCCC(C)(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714790	1	60	0.0	-68.94	449.49	6.83	-62.11
CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012714791	1	55	0.0	-66.81	426.87	8.43	-58.38
C[C@@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714792	1	42	0.0	-59.08	337.53	2.36	-56.72
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC1	REAL300012714793	1	43	0.0	-74.14	343.69	3.58	-70.56
O=C([O-])C1COCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714794	1	47	0.0	-74.81	360.61	3.89	-70.92
CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1(C(=O)[O-])CCCCC1	REAL300012714795	1	55	0.0	-74.58	398.12	6.90	-67.68
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CC1	REAL300012714796	1	46	0.0	-67.60	363.59	3.85	-63.75
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714797	1	55	0.0	-55.61	438.70	8.98	-46.63
CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012714798	1	52	0.0	-65.88	402.94	7.02	-58.86
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714799	1	49	0.0	-51.78	388.66	4.38	-47.40
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCC2=CC=CC=C21	REAL300012714800	1	53	0.0	-72.66	410.23	6.54	-66.12
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714801	1	46	0.0	-73.76	358.62	4.76	-69.00
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714802	1	49	0.0	-76.07	368.92	6.28	-69.79
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714803	1	45	0.0	-65.76	349.33	4.29	-61.47
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714804	1	46	0.0	-75.24	357.83	5.08	-70.16
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCC1	REAL300012714805	1	46	0.0	-73.59	360.49	4.10	-69.49
C=CCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714806	1	46	0.0	-66.00	371.84	3.84	-62.16
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714807	1	49	0.0	-74.91	375.20	5.85	-69.06
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714808	1	52	0.0	-76.35	382.27	6.94	-69.41
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CC1	REAL300012714809	1	46	0.0	-67.60	363.59	3.85	-63.75
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714810	1	45	0.0	-63.93	349.45	4.45	-59.48
CCCCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714811	1	51	0.0	-68.94	402.36	4.93	-64.01
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714812	1	55	0.0	-55.61	438.70	8.98	-46.63
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714813	1	49	0.0	-73.14	375.26	5.82	-67.32
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CCCC1	REAL300012714814	1	52	0.0	-50.17	393.62	6.77	-43.40
CCCCCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714816	1	54	0.0	-68.51	423.61	5.77	-62.74
CCC1CCC(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)(C(=O)[O-])CC1	REAL300012714817	1	58	0.0	-72.74	427.93	6.83	-65.91
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CCOCC1	REAL300012714818	1	53	0.0	-54.17	402.07	5.10	-49.07
CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1(C(=O)[O-])CCCC1	REAL300012714819	1	52	0.0	-73.47	384.81	6.20	-67.27
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CC1	REAL300012714820	1	49	0.0	-65.49	368.15	5.48	-60.01
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CC1	REAL300012714821	1	52	0.0	-55.19	397.20	7.07	-48.12
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1=CC=CC=C1F	REAL300012714822	1	49	0.0	-73.29	399.09	5.54	-67.75
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714823	1	53	0.0	-55.99	410.44	7.88	-48.11
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714824	1	58	0.0	-68.07	439.69	6.58	-61.49
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714825	1	55	0.0	-52.53	428.47	8.82	-43.71
CC1=CC=C(C(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C(=O)[O-])C=C1	REAL300012714826	1	52	0.0	-68.12	416.69	6.21	-61.91
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714827	1	45	0.0	-61.08	374.46	4.10	-56.98
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCSCC1	REAL300012714828	1	50	0.0	-67.27	386.55	5.28	-61.99
COCC(C)(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714829	1	49	0.0	-73.05	381.74	3.04	-70.01
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714830	1	52	0.0	-65.03	402.00	4.86	-60.17
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714831	1	51	0.0	-50.47	393.20	6.26	-44.21
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CC1	REAL300012714832	1	46	0.0	-69.27	362.22	5.58	-63.69
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714833	1	48	0.0	-51.41	396.92	6.34	-45.07
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCOC1	REAL300012714834	1	47	0.0	-66.82	365.01	1.88	-64.94
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CCCCC1	REAL300012714835	1	55	0.0	-71.18	413.10	5.58	-65.60
CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(COC1CCC1)C(=O)[O-]	REAL300012714836	1	56	0.0	-67.75	428.29	6.27	-61.48
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCOCC1	REAL300012714837	1	50	0.0	-72.16	380.30	3.09	-69.07
C=CCCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714838	1	49	0.0	-68.36	393.43	4.77	-63.59
O=C([O-])C(CF)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714839	1	42	0.0	-56.45	340.98	2.40	-54.05
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714840	1	55	0.0	-47.97	424.28	9.08	-38.89
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714841	1	45	0.0	-63.93	349.45	4.45	-59.48
CCC(CC)(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714842	1	51	0.0	-67.88	380.17	4.64	-63.24
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714843	1	51	0.0	-50.38	388.01	6.53	-43.85
CCC(COC)(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714844	1	52	0.0	-72.59	398.41	3.94	-68.65
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714845	1	55	0.0	-65.58	422.27	5.61	-59.97
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714846	1	49	0.0	-68.96	391.48	4.81	-64.15
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714848	1	54	0.0	-65.58	408.69	6.87	-58.71
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714849	1	45	0.0	-64.16	369.97	3.91	-60.25
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714850	1	55	0.0	-75.84	410.41	7.49	-68.35
CCCN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012714851	1	51	0.0	-65.68	389.01	6.03	-59.65
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714852	1	55	0.0	-43.17	427.91	9.08	-34.09
CCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012714853	1	55	0.0	-69.62	420.29	7.13	-62.49
O=C([O-])C(CCF)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714854	1	45	0.0	-67.68	365.71	3.58	-64.10
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CCOCC1	REAL300012714856	1	53	0.0	-54.17	402.07	5.10	-49.07
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CCCCC1	REAL300012714857	1	55	0.0	-54.04	411.03	7.47	-46.57
C[C@H]1CC[C@@](NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)(C(=O)[O-])CC1	REAL300012714858	1	55	0.0	-73.29	402.40	5.76	-67.53
CC(CCF)(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714859	1	48	0.0	-65.71	370.09	3.88	-61.83
O=C([O-])C1C2=C(CCN1C(=O)NCC1=CC=C(N3CCOCC3)[NH+]=C1)OC=C2	REAL300012714860	1	50	0.0	-56.44	392.28	5.94	-50.50
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714861	1	46	0.0	-68.48	372.91	4.82	-63.66
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714862	1	45	0.0	-63.89	349.32	4.39	-59.50
CC1(C)CCCC(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012714863	1	58	0.0	-74.10	416.79	6.46	-67.64
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714864	1	47	0.0	-80.15	365.42	5.92	-74.23
COC1CN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C(C)(C(=O)[O-])C1	REAL300012714865	1	53	0.0	-72.12	408.03	4.87	-67.25
CC(C)(C)[C@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714867	1	51	0.0	-68.54	390.15	4.49	-64.05
C=C(Cl)CC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714868	1	46	0.0	-68.22	388.63	4.43	-63.79
C=C(C)CC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714869	1	49	0.0	-66.57	392.38	4.59	-61.98
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714870	1	50	0.0	-80.16	377.92	6.76	-73.40
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714871	1	46	0.0	-68.75	370.83	5.24	-63.51
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714872	1	46	0.0	-71.00	364.35	5.16	-65.84
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300012714873	1	47	0.0	-73.47	372.06	5.15	-68.32
CC(C)C[C@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714875	1	51	0.0	-67.14	397.81	4.78	-62.36
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012714877	1	49	0.0	-68.48	395.54	5.46	-63.02
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714878	1	49	0.0	-68.96	391.48	4.81	-64.15
CC(C)CCCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714880	1	57	0.0	-68.51	441.18	6.27	-62.24
CSCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714882	1	46	0.0	-63.86	382.16	3.82	-60.04
CC[C@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714884	1	45	0.0	-68.29	358.53	3.39	-64.90
CCC(C)CC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714885	1	54	0.0	-69.23	416.17	5.40	-63.83
C=CCCCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714886	1	52	0.0	-69.10	415.17	5.49	-63.61
O=C([O-])C1CSCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714887	1	47	0.0	-75.07	369.02	6.31	-68.76
CC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012714888	1	52	0.0	-70.45	403.32	6.23	-64.22
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714889	1	46	0.0	-73.76	358.62	4.76	-69.00
CCCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714890	1	48	0.0	-68.52	380.62	4.21	-64.31
CC(C)[C@@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714891	1	48	0.0	-66.31	374.48	3.99	-62.32
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714892	1	50	0.0	-80.57	379.31	6.64	-73.93
CCN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(C)(C)C(=O)[O-]	REAL300012714893	1	51	0.0	-71.99	384.04	6.14	-65.85
CCCN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012714894	1	51	0.0	-65.68	389.01	6.03	-59.65
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714895	1	45	0.0	-63.77	371.90	5.70	-58.07
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714896	1	45	0.0	-63.77	371.90	5.70	-58.07
CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(C)(C)C(=O)[O-]	REAL300012714897	1	48	0.0	-72.01	364.59	5.26	-66.75
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714898	1	46	0.0	-75.24	357.83	5.08	-70.16
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714899	1	47	0.0	-77.63	370.12	1.62	-76.01
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714900	1	53	0.0	-51.38	412.43	8.16	-43.22
CCC[C@@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714901	1	48	0.0	-68.55	380.61	4.21	-64.34
O=C([O-])[C@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012714902	1	49	0.0	-69.90	395.53	5.46	-64.44
C=CCCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714904	1	49	0.0	-68.36	393.43	4.77	-63.59
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714906	1	49	0.0	-84.91	388.62	2.85	-82.06
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714908	1	49	0.0	-73.18	374.93	5.62	-67.56
CC(C)[C@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714909	1	48	0.0	-67.54	373.54	3.92	-63.62
O=C([O-])[C@@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1=CC=CC=C1	REAL300012714910	1	49	0.0	-69.27	394.89	5.48	-63.79
CC(CN1C=CC=N1)(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714911	1	52	0.0	-71.94	404.96	4.79	-67.15
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714912	1	45	0.0	-63.89	349.32	4.39	-59.50
CCC[C@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714913	1	48	0.0	-68.34	380.03	4.15	-64.19
CCN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(C)C(=O)[O-]	REAL300012714914	1	48	0.0	-65.38	366.56	5.12	-60.26
O=C([O-])CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CCCC1	REAL300012714915	1	52	0.0	-50.17	393.62	6.77	-43.40
CC(CN(C)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714916	1	48	0.0	-73.51	370.83	5.12	-68.39
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714917	1	51	0.0	-69.90	390.60	4.34	-65.56
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714918	1	48	0.0	-66.07	369.75	5.53	-60.54
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC(CO)C1	REAL300012714919	1	50	0.0	-73.40	392.75	1.39	-72.01
CC1CCC(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012714921	1	52	0.0	-72.86	395.43	5.12	-67.74
CC1(C)CCCC1(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714922	1	55	0.0	-72.97	404.90	5.84	-67.13
CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012714924	1	55	0.0	-66.81	426.87	8.43	-58.38
CC1(C)CC(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012714925	1	52	0.0	-74.23	396.92	5.80	-68.43
CC1(C(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C(=O)[O-])CC1	REAL300012714926	1	49	0.0	-69.60	382.96	4.74	-64.86
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714928	1	47	0.0	-79.36	368.55	1.56	-77.80
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714930	1	50	0.0	-77.82	380.07	6.42	-71.40
O=C([O-])C12COC(CN1C(=O)NCC1=CC=C(N3CCOCC3)[NH+]=C1)C2	REAL300012714931	1	48	0.0	-75.72	372.27	4.19	-71.53
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300012714932	1	52	0.0	-77.37	390.37	7.16	-70.21
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714933	1	55	0.0	-66.89	432.94	6.74	-60.15
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714934	1	56	0.0	-67.76	432.07	6.52	-61.24
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CCC1	REAL300012714935	1	49	0.0	-69.91	379.49	4.26	-65.65
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CCCCC1	REAL300012714936	1	55	0.0	-71.18	413.10	5.58	-65.60
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CCC1	REAL300012714937	1	49	0.0	-69.91	379.49	4.26	-65.65
CC1CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1C(=O)[O-]	REAL300012714938	1	49	0.0	-75.87	374.30	5.45	-70.42
C=CCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714939	1	46	0.0	-66.00	371.84	3.84	-62.16
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714941	1	56	0.0	-46.61	405.63	7.06	-39.55
CC1(C)CC(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)(C(=O)[O-])CCO1	REAL300012714942	1	56	0.0	-73.26	409.39	4.40	-68.86
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714943	1	50	0.0	-45.80	380.71	6.11	-39.69
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714944	1	56	0.0	-67.76	432.07	6.52	-61.24
COC1CC(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012714945	1	50	0.0	-76.16	393.95	3.06	-73.10
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC(F)(F)C1	REAL300012714946	1	46	0.0	-72.02	368.91	4.12	-67.90
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)(C(=O)[O-])C1	REAL300012714947	1	50	0.0	-69.40	392.56	3.35	-66.05
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714948	1	52	0.0	-75.83	391.01	6.99	-68.84
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714949	1	45	0.0	-61.08	374.46	4.10	-56.98
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)COC1	REAL300012714951	1	44	0.0	-67.29	351.31	1.13	-66.16
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714952	1	49	0.0	-69.63	408.83	5.47	-64.16
CC(C)C(C)(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714953	1	51	0.0	-69.61	380.23	4.43	-65.18
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714954	1	47	0.0	-78.05	365.45	6.49	-71.56
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714955	1	50	0.0	-77.58	381.55	5.85	-71.73
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714956	1	55	0.0	-43.17	427.91	9.08	-34.09
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714957	1	58	0.0	-68.07	439.69	6.58	-61.49
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714958	1	55	0.0	-70.12	440.77	7.17	-62.95
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714959	1	55	0.0	-70.17	440.76	7.17	-63.00
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CC2CCC1C2	REAL300012714960	1	56	0.0	-70.95	421.15	6.24	-64.71
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714961	1	58	0.0	-69.82	439.69	6.59	-63.23
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714962	1	58	0.0	-68.07	439.74	6.59	-61.48
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714963	1	56	0.0	-45.99	419.89	7.25	-38.74
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714964	1	56	0.0	-75.75	415.34	6.84	-68.91
C=CCSCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714965	1	50	0.0	-64.79	417.11	5.24	-59.55
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714966	1	51	0.0	-66.28	384.07	6.19	-60.09
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC(C(F)F)C1	REAL300012714968	1	49	0.0	-76.72	392.49	4.94	-71.78
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714970	1	46	0.0	-71.00	364.35	5.16	-65.84
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714971	1	48	0.0	-46.55	373.67	6.06	-40.49
CC1(C)CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1C(=O)[O-]	REAL300012714972	1	52	0.0	-76.86	394.26	5.94	-70.92
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714973	1	56	0.0	-77.26	414.65	7.96	-69.30
CC(C)CCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714974	1	54	0.0	-68.70	419.68	5.50	-63.20
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714975	1	53	0.0	-46.22	405.94	6.74	-39.48
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300012714977	1	50	0.0	-72.09	402.37	6.25	-65.84
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCCC2CC21	REAL300012714978	1	53	0.0	-72.86	394.69	6.24	-66.62
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCC2CC21	REAL300012714979	1	50	0.0	-72.54	381.85	5.32	-67.22
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC2(CCC2)C1	REAL300012714980	1	53	0.0	-72.43	402.84	5.49	-66.94
CN(C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012714981	1	55	0.0	-69.33	428.38	8.46	-60.87
O=C([O-])C(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CCCC1	REAL300012714982	1	52	0.0	-70.58	402.79	5.09	-65.49
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714984	1	49	0.0	-75.49	382.38	5.12	-70.37
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714985	1	52	0.0	-51.06	416.28	8.20	-42.86
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300012714986	1	52	0.0	-49.12	397.94	6.09	-43.03
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714987	1	49	0.0	-75.08	380.29	6.40	-68.68
O=C([O-])C1N(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCC1(F)F	REAL300012714988	1	46	0.0	-76.96	369.79	5.43	-71.53
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714989	1	49	0.0	-69.04	408.62	5.33	-63.71
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714990	1	49	0.0	-66.67	387.31	5.96	-60.71
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714991	1	49	0.0	-69.04	408.62	5.33	-63.71
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714992	1	53	0.0	-77.91	396.95	6.39	-71.52
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012714994	1	51	0.0	-65.54	392.33	6.30	-59.24
CC(C)(C)CC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012714996	1	54	0.0	-67.99	410.21	5.77	-62.22
O=C([O-])C1(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC2=CC=CC=C2C1	REAL300012714998	1	53	0.0	-71.15	413.47	6.63	-64.52
C[C@H]1OCCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)[C@@H]1C(=O)[O-]	REAL300012714999	1	50	0.0	-76.63	380.55	4.66	-71.97
N#CCCC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300012715000	1	46	0.0	-70.92	380.21	3.89	-67.03
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012715001	1	49	0.0	-52.18	397.95	6.34	-45.84
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300012715002	1	45	0.0	-65.76	349.33	4.29	-61.47
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300012715003	1	53	0.0	-70.46	412.42	5.34	-65.12
CC(C)C[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715004	1	57	0.0	-64.82	406.25	6.49	-58.33
C=CCOCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715005	1	56	0.0	-69.00	414.21	4.99	-64.01
C=CC(C)C(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715006	1	55	0.0	-62.07	396.42	6.29	-55.78
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC(C)O1	REAL300012715007	1	59	0.0	-70.32	418.41	5.09	-65.23
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC(C)O1	REAL300012715008	1	55	0.0	-59.37	415.83	7.41	-51.96
COC1CCN(C(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C(C(=O)[O-])C1	REAL300012715009	1	59	0.0	-76.35	409.81	7.12	-69.23
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCOC2)CC(C)O1	REAL300012715010	1	59	0.0	-66.16	412.07	5.00	-61.16
CC1CCN(C(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C(C(=O)[O-])C1	REAL300012715011	1	58	0.0	-74.84	391.10	8.43	-66.41
CC1=CC(C(NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C(=O)[O-])=CC=C1F	REAL300012715012	1	58	0.0	-61.96	436.77	8.03	-53.93
CC1=CC(C(NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C(=O)[O-])=CC(C)=C1	REAL300012715013	1	61	0.0	-66.53	453.14	8.61	-57.92
CC1=CC=C(C(NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C(=O)[O-])C=C1C	REAL300012715014	1	61	0.0	-66.06	449.04	8.51	-57.55
CC1=CC=CC(C(NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C(=O)[O-])=C1C	REAL300012715015	1	61	0.0	-65.59	433.76	8.29	-57.30
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715016	1	54	0.0	-45.57	393.92	7.80	-37.77
CC(C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C1CCC1	REAL300012715017	1	58	0.0	-52.46	399.07	8.07	-44.39
CCCN(C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(COC)C(=O)[O-]	REAL300012715018	1	61	0.0	-66.16	425.51	7.47	-58.69
CCCN(C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(CC)C(=O)[O-]	REAL300012715019	1	60	0.0	-65.04	413.30	8.62	-56.42
CC(C)C(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715020	1	54	0.0	-64.77	380.29	5.51	-59.26
CC1C[NH+](C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])CC(C)O1	REAL300012715021	1	55	0.0	-76.50	377.51	8.36	-68.14
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC(C)O1	REAL300012715022	1	55	0.0	-61.66	419.86	7.81	-53.85
CC1C[NH+](C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])CC(C)O1	REAL300012715023	1	53	0.0	-73.85	377.08	8.12	-65.73
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)CC(C)O1	REAL300012715024	1	58	0.0	-68.03	396.94	7.40	-60.63
CC1C[NH+](C(C)(C)CNC(=O)N2CCCC2C(=O)[O-])CC(C)O1	REAL300012715025	1	52	0.0	-73.44	366.17	7.09	-66.35
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)CC(C)O1	REAL300012715026	1	55	0.0	-67.98	382.43	6.30	-61.68
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCCC2)CC(C)O1	REAL300012715027	1	61	0.0	-68.90	402.60	8.07	-60.83
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012715028	1	58	0.0	-69.12	426.02	8.20	-60.92
CC1C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC(C)O1	REAL300012715029	1	58	0.0	-46.48	424.52	10.01	-36.47
CC1C[NH+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012715030	1	55	0.0	-65.08	403.36	7.33	-57.75
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012715031	1	55	0.0	-64.71	403.13	7.29	-57.42
CCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715032	1	51	0.0	-67.17	367.59	5.19	-61.98
CC(C)C(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715033	1	54	0.0	-64.77	380.29	5.51	-59.26
CC1C[NH+](C(C)(C)CNC(=O)N(C)CC(=O)[O-])CC(C)O1	REAL300012715034	1	48	0.0	-66.55	343.72	6.02	-60.53
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012715035	1	58	0.0	-69.12	426.02	8.20	-60.92
CC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715036	1	48	0.0	-57.27	345.76	4.17	-53.10
CCC(C)C(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715037	1	57	0.0	-66.74	400.71	6.41	-60.33
CC1C[NH+](C(C)(C)CNC(=O)N(C)CC(=O)[O-])CC(C)O1	REAL300012715038	1	48	0.0	-66.55	343.72	6.02	-60.53
CC1C[NH+](C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])CC(C)O1	REAL300012715039	1	55	0.0	-76.50	377.51	8.36	-68.14
CCCC(C)(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715040	1	57	0.0	-63.82	393.23	6.32	-57.50
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715041	1	54	0.0	-66.95	370.51	8.05	-58.90
CC1C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)CC(C)O1	REAL300012715042	1	52	0.0	-52.56	368.62	7.53	-45.03
C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715043	1	52	0.0	-45.32	385.23	7.60	-37.72
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715044	1	57	0.0	-45.37	408.57	8.32	-37.05
CC1C[NH+](C(C)(C)CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC(C)O1	REAL300012715045	1	59	0.0	-75.79	415.12	10.24	-65.55
CC1C[NH+](C(C)(C)CNC(=O)NC(C)(C)C(=O)[O-])CC(C)O1	REAL300012715046	1	51	0.0	-55.35	358.34	4.57	-50.78
CC1C[NH+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2CC2)CC(C)O1	REAL300012715047	1	55	0.0	-65.49	381.05	6.30	-59.19
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC(C)O1	REAL300012715048	1	52	0.0	-65.43	395.40	6.35	-59.08
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)CC(C)O1	REAL300012715049	1	58	0.0	-68.03	396.94	7.40	-60.63
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715050	1	54	0.0	-66.95	370.51	8.05	-58.90
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715051	1	54	0.0	-45.57	393.92	7.80	-37.77
CCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715052	1	51	0.0	-67.19	372.41	7.04	-60.15
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715053	1	57	0.0	-64.36	398.28	6.20	-58.16
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)CC(C)O1	REAL300012715054	1	55	0.0	-67.98	382.43	6.30	-61.68
CC1C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC(C)O1	REAL300012715055	1	58	0.0	-44.83	430.93	10.07	-34.76
CCC(C)(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715056	1	54	0.0	-63.65	371.73	5.57	-58.08
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC(C)O1	REAL300012715057	1	59	0.0	-68.75	421.89	8.45	-60.30
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC(C)O1	REAL300012715058	1	55	0.0	-64.86	413.80	7.42	-57.44
CC1C[NH+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012715059	1	58	0.0	-66.88	411.48	8.07	-58.81
C[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715060	1	48	0.0	-56.05	345.60	4.20	-51.85
CCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715061	1	51	0.0	-67.19	372.41	7.04	-60.15
CCCCCCC(C)(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715062	1	66	0.0	-64.10	457.73	8.65	-55.45
CC1C[NH+](C(C)(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012715063	1	61	0.0	-67.49	435.12	10.23	-57.26
C[C@@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715064	1	48	0.0	-56.81	345.91	4.12	-52.69
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC2)CC(C)O1	REAL300012715065	1	49	0.0	-70.41	351.73	5.38	-65.03
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC(C)O1	REAL300012715066	1	55	0.0	-61.66	419.86	7.81	-53.85
CC1C[NH+](C(C)(C)CNC(=O)N2CCOCC2C(=O)[O-])CC(C)O1	REAL300012715067	1	53	0.0	-72.66	368.68	5.71	-66.95
CC1C[NH+](C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC(C)O1	REAL300012715068	1	61	0.0	-70.76	406.55	8.74	-62.02
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)CC(C)O1	REAL300012715069	1	52	0.0	-65.92	374.34	5.65	-60.27
CC1C[NH+](C(C)(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC(C)O1	REAL300012715070	1	61	0.0	-47.61	446.93	10.78	-36.83
CC1C[NH+](C(C)(C)CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012715071	1	58	0.0	-63.12	421.70	9.20	-53.92
COCCN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715072	1	55	0.0	-46.16	403.79	6.22	-39.94
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC(C)O1	REAL300012715073	1	59	0.0	-69.05	418.45	8.33	-60.72
CC1C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC(C)O1	REAL300012715074	1	52	0.0	-71.22	366.95	6.78	-64.44
CC1C[NH+](C(C)(C)CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC(C)O1	REAL300012715075	1	55	0.0	-76.05	384.18	8.14	-67.91
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715076	1	51	0.0	-63.87	357.74	6.11	-57.76
CC1C[NH+](C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])CC(C)O1	REAL300012715077	1	52	0.0	-70.51	373.25	7.14	-63.37
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC2)CC(C)O1	REAL300012715078	1	52	0.0	-69.27	368.55	5.89	-63.38
C=CCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715079	1	52	0.0	-66.98	380.87	5.64	-61.34
CC1C[NH+](C(C)(C)CNC(=O)N2CCCC2(C)C(=O)[O-])CC(C)O1	REAL300012715080	1	55	0.0	-70.23	390.32	7.69	-62.54
CC1C[NH+](C(C)(C)CNC(=O)N2CCCCCC2C(=O)[O-])CC(C)O1	REAL300012715081	1	58	0.0	-76.43	390.33	8.77	-67.66
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)CC(C)O1	REAL300012715082	1	52	0.0	-65.92	374.34	5.65	-60.27
CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715083	1	51	0.0	-63.02	358.62	6.26	-56.76
CCCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715084	1	57	0.0	-67.11	410.59	6.74	-60.37
CC1C[NH+](C(C)(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC(C)O1	REAL300012715085	1	61	0.0	-47.61	446.93	10.78	-36.83
CC1C[NH+](C(C)(C)CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC(C)O1	REAL300012715086	1	55	0.0	-74.26	389.97	7.70	-66.56
CC1C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)CC(C)O1	REAL300012715087	1	58	0.0	-48.51	402.27	8.56	-39.95
COCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715088	1	52	0.0	-67.94	379.32	3.48	-64.46
CCCCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715089	1	60	0.0	-66.55	431.85	7.58	-58.97
CCC1CCC(NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)(C(=O)[O-])CC1	REAL300012715090	1	64	0.0	-67.45	436.35	8.65	-58.80
CC1C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC(C)O1	REAL300012715091	1	59	0.0	-48.41	411.39	6.87	-41.54
CC1C[NH+](C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCC2)CC(C)O1	REAL300012715092	1	58	0.0	-74.05	392.87	8.01	-66.04
CC(C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C1CC1	REAL300012715093	1	55	0.0	-52.71	384.17	7.67	-45.04
CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C1CC1	REAL300012715094	1	58	0.0	-52.49	404.66	8.73	-43.76
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC(C)O1	REAL300012715095	1	55	0.0	-67.43	415.67	7.69	-59.74
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC(C)O1	REAL300012715096	1	55	0.0	-71.60	408.18	7.35	-64.25
CC1C[NH+](C(C)(C)CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC(C)O1	REAL300012715097	1	59	0.0	-52.50	418.84	9.71	-42.79
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC(C)O1	REAL300012715098	1	64	0.0	-67.72	447.63	8.46	-59.26
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715099	1	61	0.0	-47.42	438.24	10.46	-36.96
CC1=CC=C(C(NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C(=O)[O-])C=C1	REAL300012715100	1	58	0.0	-67.50	432.08	7.99	-59.51
CC1C[NH+](C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC(C)O1	REAL300012715101	1	51	0.0	-61.17	383.53	5.88	-55.29
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCSCC2)CC(C)O1	REAL300012715102	1	56	0.0	-64.65	394.64	7.09	-57.56
COCC(C)(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715103	1	55	0.0	-68.24	389.98	4.85	-63.39
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715104	1	58	0.0	-64.36	409.98	6.50	-57.86
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715105	1	57	0.0	-45.37	408.57	8.32	-37.05
CC1C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)CC(C)O1	REAL300012715106	1	52	0.0	-52.56	368.62	7.53	-45.03
CC1C[NH+](C(C)(C)CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC(C)O1	REAL300012715107	1	54	0.0	-45.97	412.06	8.18	-37.79
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC2)CC(C)O1	REAL300012715108	1	53	0.0	-66.18	373.07	3.68	-62.50
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC(C)O1	REAL300012715109	1	61	0.0	-69.26	421.33	7.40	-61.86
CC1C[NH+](C(C)(C)CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC(C)O1	REAL300012715110	1	62	0.0	-63.49	436.62	8.12	-55.37
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOCC2)CC(C)O1	REAL300012715111	1	56	0.0	-67.73	388.36	4.90	-62.83
C=CCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715112	1	55	0.0	-67.05	401.90	6.52	-60.53
CC1C[NH+](C(C)(C)CNC(=O)NC(CF)C(=O)[O-])CC(C)O1	REAL300012715113	1	48	0.0	-54.46	349.39	4.18	-50.28
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715114	1	61	0.0	-41.26	431.69	10.89	-30.37
CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715115	1	51	0.0	-63.02	358.62	6.26	-56.76
CCC(CC)(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715116	1	57	0.0	-68.16	388.12	6.46	-61.70
COC1=CC=C(C(NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C(=O)[O-])C=C1	REAL300012715117	1	59	0.0	-64.83	432.62	6.59	-58.24
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715118	1	57	0.0	-44.98	398.51	8.55	-36.43
CCC(COC)(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715119	1	58	0.0	-72.89	406.42	5.77	-67.12
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715120	1	61	0.0	-64.79	430.86	7.35	-57.44
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])CC(C)O1	REAL300012715121	1	55	0.0	-64.28	399.21	6.74	-57.54
COCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715122	1	55	0.0	-67.61	401.27	4.25	-63.36
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715123	1	60	0.0	-63.94	416.42	8.57	-55.37
CC1C[NH+](C(C)(C)CNC(=O)NC(CC(F)F)C(=O)[O-])CC(C)O1	REAL300012715124	1	51	0.0	-67.02	379.71	5.54	-61.48
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715125	1	61	0.0	-73.98	424.73	9.66	-64.32
CCCN(C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(C)C(=O)[O-]	REAL300012715126	1	57	0.0	-40.47	394.81	8.72	-31.75
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715127	1	61	0.0	-34.13	439.52	10.91	-23.22
CCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012715128	1	61	0.0	-69.27	428.53	8.94	-60.33
COC1CCCC(C(NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C(=O)[O-])C1	REAL300012715129	1	65	0.0	-72.44	453.11	6.48	-65.96
CC1C[NH+](C(C)(C)CNC(=O)NC(CCF)C(=O)[O-])CC(C)O1	REAL300012715130	1	51	0.0	-66.52	374.19	5.33	-61.19
COC1(CC(NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C(=O)[O-])CCC1	REAL300012715131	1	62	0.0	-68.82	437.80	6.56	-62.26
CC1C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC(C)O1	REAL300012715132	1	59	0.0	-48.41	411.39	6.87	-41.54
CC1C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)CC(C)O1	REAL300012715133	1	61	0.0	-50.45	419.08	9.25	-41.20
C[C@H]1CC[C@@](NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)(C(=O)[O-])CC1	REAL300012715134	1	61	0.0	-71.49	411.06	7.80	-63.69
COC1=CC=CC(C(NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C(=O)[O-])=C1	REAL300012715135	1	59	0.0	-69.57	439.93	6.67	-62.90
CC1C[NH+](C(C)(C)CNC(=O)NC(C)(CCF)C(=O)[O-])CC(C)O1	REAL300012715136	1	54	0.0	-60.92	378.33	5.70	-55.22
CC1C[NH+](C(C)(C)CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC(C)O1	REAL300012715137	1	56	0.0	-55.12	400.34	7.74	-47.38
CC1C[NH+](C(C)(C)CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC(C)O1	REAL300012715138	1	52	0.0	-65.93	386.65	6.99	-58.94
COC1=CC=CC([C@H](NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C(=O)[O-])=C1	REAL300012715139	1	59	0.0	-67.35	432.65	6.58	-60.77
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715140	1	51	0.0	-61.00	357.69	6.26	-54.74
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C1	REAL300012715141	1	61	0.0	-74.75	432.21	8.97	-65.78
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC(C)O1	REAL300012715142	1	64	0.0	-69.43	424.85	8.28	-61.15
CC1C[NH+](C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])C3)CC(C)O1	REAL300012715143	1	53	0.0	-76.95	371.97	7.75	-69.20
COC1CN(C(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C(C)(C(=O)[O-])C1	REAL300012715144	1	59	0.0	-74.54	416.75	6.62	-67.92
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC(C)O1	REAL300012715145	1	62	0.0	-66.88	445.88	6.07	-60.81
CC1C[NH+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC(C)O1	REAL300012715146	1	57	0.0	-65.56	398.57	6.31	-59.25
C=C(Cl)CC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715147	1	52	0.0	-62.60	396.07	6.31	-56.29
C=C(C)CC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715148	1	55	0.0	-68.22	399.17	6.49	-61.73
CC1C[NH+](C(C)(C)CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC(C)O1	REAL300012715149	1	56	0.0	-81.36	388.02	8.59	-72.77
CC1C[NH+](C(C)(C)CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC(C)O1	REAL300012715150	1	52	0.0	-64.90	379.49	7.27	-57.63
CC1C[NH+](C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC(C)O1	REAL300012715151	1	52	0.0	-68.30	372.86	7.19	-61.11
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C1	REAL300012715152	1	53	0.0	-73.47	380.72	7.19	-66.28
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC(C)O1	REAL300012715153	1	62	0.0	-65.41	438.22	6.02	-59.39
CC(C)C[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715154	1	57	0.0	-64.82	406.25	6.49	-58.33
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC(C)O1	REAL300012715155	1	59	0.0	-70.32	418.41	5.09	-65.23
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012715156	1	55	0.0	-64.71	403.13	7.29	-57.42
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])CC(C)O1	REAL300012715157	1	55	0.0	-64.28	399.21	6.74	-57.54
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC(C)O1	REAL300012715158	1	54	0.0	-63.20	412.57	5.37	-57.83
CC(C)CCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715159	1	63	0.0	-67.16	449.66	8.04	-59.12
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2CCCO2)C(=O)[O-])CC(C)O1	REAL300012715160	1	59	0.0	-70.70	423.55	5.64	-65.06
CSCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715161	1	52	0.0	-63.48	391.05	5.61	-57.87
COC[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715162	1	52	0.0	-64.86	386.21	3.52	-61.34
CC[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715163	1	51	0.0	-67.17	367.43	5.17	-62.00
CC1C[NH+](C(C)(C)CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC(C)O1	REAL300012715164	1	58	0.0	-64.81	432.26	8.26	-56.55
CCC(C)CC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715165	1	60	0.0	-67.59	423.90	7.20	-60.39
C=CCCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715166	1	58	0.0	-66.82	423.16	7.36	-59.46
CC1C[NH+](C(C)(C)CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC(C)O1	REAL300012715167	1	58	0.0	-67.34	432.21	8.25	-59.09
CC1C[NH+](C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])CC(C)O1	REAL300012715168	1	53	0.0	-73.85	377.08	8.12	-65.73
CC1C[NH+](C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012715169	1	58	0.0	-66.88	411.48	8.07	-58.81
CC1C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC(C)O1	REAL300012715170	1	52	0.0	-71.22	366.95	6.78	-64.44
CCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715171	1	54	0.0	-66.74	388.85	6.02	-60.72
CC(C)[C@@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715172	1	54	0.0	-66.37	382.72	5.80	-60.57
CC1C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC(C)O1	REAL300012715173	1	56	0.0	-78.89	388.41	8.68	-70.21
CCN(C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(C)(C)C(=O)[O-]	REAL300012715174	1	57	0.0	-70.48	391.76	7.94	-62.54
CCCN(C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(C)C(=O)[O-]	REAL300012715175	1	57	0.0	-40.47	394.81	8.72	-31.75
CC1C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC(C)O1	REAL300012715176	1	51	0.0	-61.32	387.02	7.54	-53.78
CC1C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC(C)O1	REAL300012715177	1	51	0.0	-61.32	387.02	7.54	-53.78
CC1C[NH+](C(C)(C)CNC(=O)N(C)C(C)(C)C(=O)[O-])CC(C)O1	REAL300012715178	1	54	0.0	-70.56	372.82	7.10	-63.46
CC1C[NH+](C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])CC(C)O1	REAL300012715179	1	52	0.0	-70.51	373.25	7.14	-63.37
CC1C[NH+](C(C)(C)CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC(C)O1	REAL300012715180	1	53	0.0	-73.21	385.25	3.43	-69.78
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715181	1	59	0.0	-71.75	419.09	9.93	-61.82
CCC[C@@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715182	1	54	0.0	-64.04	388.68	6.00	-58.04
CC1C[NH+](C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012715183	1	55	0.0	-65.08	403.36	7.33	-57.75
CC1C[NH+](C(C)(C)CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC(C)O1	REAL300012715184	1	60	0.0	-69.74	450.54	7.32	-62.42
C=CCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715185	1	55	0.0	-67.05	401.90	6.52	-60.53
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC(C)O1	REAL300012715186	1	54	0.0	-70.48	412.54	5.20	-65.28
CC1C[NH+](C(C)(C)CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC(C)O1	REAL300012715187	1	55	0.0	-84.89	396.68	4.66	-80.23
CC1C[NH+](C(C)(C)CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC(C)O1	REAL300012715188	1	56	0.0	-66.86	394.22	6.37	-60.49
CC1C[NH+](C(C)(C)CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC(C)O1	REAL300012715189	1	55	0.0	-70.84	390.00	7.66	-63.18
CC(C)[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715190	1	54	0.0	-66.09	378.55	5.48	-60.61
CC1C[NH+](C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012715191	1	55	0.0	-66.66	402.95	7.27	-59.39
CC1C[NH+](C(C)(C)CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC(C)O1	REAL300012715192	1	58	0.0	-64.82	417.59	6.62	-58.20
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715193	1	51	0.0	-61.00	357.69	6.26	-54.74
CCC[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715194	1	54	0.0	-66.42	388.09	5.95	-60.47
CCN(C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(C)C(=O)[O-]	REAL300012715195	1	54	0.0	-63.73	374.79	6.93	-56.80
CC1C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)CC(C)O1	REAL300012715196	1	58	0.0	-48.51	402.27	8.56	-39.95
CC(CN(C)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715197	1	54	0.0	-68.91	377.94	6.66	-62.25
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715198	1	57	0.0	-64.36	398.28	6.20	-58.16
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715199	1	54	0.0	-62.05	378.18	7.19	-54.86
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC(C)O1	REAL300012715200	1	56	0.0	-69.27	400.81	3.18	-66.09
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715201	1	64	0.0	-66.74	451.14	6.51	-60.23
CC1CCC(NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)(C(=O)[O-])C1	REAL300012715202	1	58	0.0	-68.27	403.49	6.91	-61.36
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC(C)O1	REAL300012715203	1	61	0.0	-71.36	413.14	7.66	-63.70
COCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715204	1	55	0.0	-67.61	401.27	4.25	-63.36
CC1C[NH+](C(C)(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012715205	1	61	0.0	-67.49	435.12	10.23	-57.26
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC(C)O1	REAL300012715206	1	58	0.0	-69.91	404.98	7.60	-62.31
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C)CC2)CC(C)O1	REAL300012715207	1	55	0.0	-67.03	391.02	6.54	-60.49
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715208	1	64	0.0	-66.01	451.77	6.42	-59.59
CC1C[NH+](C(C)(C)CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC(C)O1	REAL300012715209	1	53	0.0	-80.06	378.50	3.57	-76.49
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOC2)CC(C)O1	REAL300012715210	1	56	0.0	-63.06	399.83	4.24	-58.82
CC1C[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC(C)O1	REAL300012715211	1	56	0.0	-78.91	394.65	8.26	-70.65
CC1C[NH+](C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC(C)O1	REAL300012715212	1	54	0.0	-74.28	380.78	5.89	-68.39
CC1CCC(C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C1	REAL300012715213	1	58	0.0	-75.90	398.35	8.95	-66.95
CC(C1=CC=CC=C1)C(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715214	1	61	0.0	-66.91	441.20	8.60	-58.31
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC(C)O1	REAL300012715215	1	62	0.0	-68.16	442.71	9.03	-59.13
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)CC(C)O1	REAL300012715216	1	55	0.0	-68.08	387.73	6.08	-62.00
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC(C)O1	REAL300012715217	1	61	0.0	-69.26	421.33	7.40	-61.86
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)CC(C)O1	REAL300012715218	1	55	0.0	-68.08	387.73	6.08	-62.00
CC1CCN(C(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C1C(=O)[O-]	REAL300012715219	1	55	0.0	-71.68	382.35	7.25	-64.43
C=CCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715220	1	52	0.0	-66.98	380.87	5.64	-61.34
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC(C)O1	REAL300012715221	1	62	0.0	-67.39	440.97	6.38	-61.01
CC1C[NH+](C(C)(C)CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC(C)O1	REAL300012715222	1	62	0.0	-41.18	413.31	8.93	-32.25
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC(C)O1	REAL300012715223	1	62	0.0	-68.80	417.45	6.21	-62.59
CC1C[NH+](C(C)(C)CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC(C)O1	REAL300012715224	1	56	0.0	-39.09	395.69	8.16	-30.93
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC(C)O1	REAL300012715225	1	62	0.0	-68.16	442.71	9.03	-59.13
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC(C)O1	REAL300012715226	1	58	0.0	-70.95	432.19	8.34	-62.61
COC1CC(NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)(C(=O)[O-])C1	REAL300012715227	1	56	0.0	-71.83	402.00	4.87	-66.96
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC(C)O1	REAL300012715228	1	52	0.0	-68.08	376.98	5.91	-62.17
CO[C@H]1C[C@](NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)(C(=O)[O-])C1	REAL300012715229	1	56	0.0	-68.82	407.57	5.17	-63.65
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC(C)O1	REAL300012715230	1	55	0.0	-64.41	408.36	6.49	-57.92
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715231	1	58	0.0	-73.77	403.28	8.90	-64.87
CC1C[NH+](C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC(C)O1	REAL300012715232	1	51	0.0	-61.17	383.53	5.88	-55.29
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC(C)O1	REAL300012715233	1	59	0.0	-62.26	423.01	4.83	-57.43
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])COC2)CC(C)O1	REAL300012715234	1	50	0.0	-63.51	359.37	2.94	-60.57
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC(C)O1	REAL300012715235	1	55	0.0	-65.05	417.07	7.27	-57.78
CC(C)C(C)(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715236	1	57	0.0	-64.29	386.65	6.19	-58.10
CC1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC(C)O1	REAL300012715237	1	53	0.0	-75.98	379.17	8.29	-67.69
CC1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC(C)O1	REAL300012715238	1	56	0.0	-75.91	389.71	7.69	-68.22
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715239	1	61	0.0	-34.13	439.52	10.91	-23.22
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC(C)O1	REAL300012715240	1	64	0.0	-67.72	447.63	8.46	-59.26
CC1C[NH+](C(C)(C)CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012715241	1	61	0.0	-68.30	448.83	8.96	-59.34
CC1C[NH+](C(C)(C)CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012715242	1	61	0.0	-65.43	448.58	9.03	-56.40
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC(C)O1	REAL300012715243	1	62	0.0	-66.70	429.71	7.83	-58.87
CC1C[NH+](C(C)(C)CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC(C)O1	REAL300012715244	1	64	0.0	-64.74	447.55	8.47	-56.27
CC1C[NH+](C(C)(C)CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC(C)O1	REAL300012715245	1	64	0.0	-64.46	447.86	8.47	-55.99
CC1C[NH+](C(C)(C)CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC(C)O1	REAL300012715246	1	62	0.0	-47.49	430.38	8.89	-38.60
CC1C[NH+](C(C)(C)CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC(C)O1	REAL300012715247	1	62	0.0	-72.76	424.27	8.89	-63.87
C=CCSCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715248	1	56	0.0	-63.84	425.57	6.99	-56.85
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715249	1	57	0.0	-64.72	391.80	7.89	-56.83
COC1(C(NC(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C(=O)[O-])CCC1	REAL300012715250	1	59	0.0	-63.37	415.02	4.86	-58.51
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC(C)O1	REAL300012715251	1	55	0.0	-70.89	400.79	6.69	-64.20
CC1C[NH+](C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC(C)O1	REAL300012715253	1	52	0.0	-68.30	372.86	7.19	-61.11
CC1C[NH+](C(C)(C)CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC(C)O1	REAL300012715254	1	54	0.0	-45.24	382.27	7.89	-37.35
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC(C)O1	REAL300012715255	1	58	0.0	-74.41	398.50	8.04	-66.37
CC1C[NH+](C(C)(C)CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC(C)O1	REAL300012715256	1	62	0.0	-76.07	423.04	9.75	-66.32
CC(C)CCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715257	1	60	0.0	-67.26	428.16	7.26	-60.00
CC1C[NH+](C(C)(C)CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC(C)O1	REAL300012715258	1	59	0.0	-45.47	413.99	8.52	-36.95
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC(C)O1	REAL300012715259	1	59	0.0	-62.26	423.01	4.83	-57.43
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C1	REAL300012715260	1	56	0.0	-69.61	416.51	8.31	-61.30
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC(C)O1	REAL300012715261	1	59	0.0	-69.60	402.96	8.04	-61.56
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3CC32)CC(C)O1	REAL300012715262	1	56	0.0	-69.46	390.09	7.14	-62.32
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC(C)O1	REAL300012715263	1	59	0.0	-67.63	411.17	7.52	-60.11
CC1C[NH+](C(C)(C)CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012715264	1	61	0.0	-64.02	434.41	10.10	-53.92
CC1C[NH+](C(C)(C)CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC(C)O1	REAL300012715265	1	65	0.0	-37.44	436.73	9.41	-28.03
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCC2)CC(C)O1	REAL300012715266	1	58	0.0	-68.37	403.81	6.72	-61.65
CO[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715267	1	55	0.0	-68.10	397.43	4.42	-63.68
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715268	1	55	0.0	-74.32	397.59	6.97	-67.35
CC1C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC(C)O1	REAL300012715269	1	58	0.0	-46.48	424.52	10.01	-36.47
CC1C[NH+](C(C)(C)CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC(C)O1	REAL300012715270	1	58	0.0	-37.83	400.64	7.73	-30.10
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC(C)O1	REAL300012715271	1	55	0.0	-73.75	388.36	8.20	-65.55
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC(C)O1	REAL300012715272	1	52	0.0	-77.97	377.86	7.22	-70.75
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC(C)O1	REAL300012715273	1	58	0.0	-70.95	432.19	8.34	-62.61
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC(C)O1	REAL300012715274	1	55	0.0	-65.30	416.85	7.11	-58.19
CC1C[NH+](C(C)(C)CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC(C)O1	REAL300012715275	1	55	0.0	-66.72	395.36	7.75	-58.97
CC1C[NH+](C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC(C)O1	REAL300012715276	1	55	0.0	-65.30	416.85	7.11	-58.19
CC1C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC(C)O1	REAL300012715277	1	59	0.0	-73.72	412.09	8.30	-65.42
COCCCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715278	1	58	0.0	-66.09	422.77	5.03	-61.06
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715279	1	57	0.0	-63.96	400.57	8.10	-55.86
CCOCC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012715280	1	55	0.0	-68.51	401.31	4.41	-64.10
CC1C[NH+](C(C)(C)CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC(C)O1	REAL300012715281	1	60	0.0	-65.20	417.53	7.62	-57.58
CC1C[NH+](C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCO2)CC(C)O1	REAL300012715282	1	59	0.0	-67.32	417.91	5.31	-62.01
CC1C[NH+](C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC(C)O1	REAL300012715283	1	59	0.0	-68.75	421.89	8.45	-60.30
CC1C[NH+](C(C)(C)CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC(C)O1	REAL300012715284	1	56	0.0	-73.09	394.92	6.45	-66.64
CC1C[NH+](C(C)(C)CNC(=O)NC(CCC#N)C(=O)[O-])CC(C)O1	REAL300012715285	1	52	0.0	-69.72	388.44	5.69	-64.03
CC1C[NH+](C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC(C)O1	REAL300012715286	1	55	0.0	-47.61	406.19	8.15	-39.46
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300012715287	1	51	0.0	-63.87	357.74	6.11	-57.76
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C1	REAL300012715288	1	59	0.0	-73.44	421.30	7.05	-66.39
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NN=C3CCCN23)CC1	REAL300012715696	0	53	0.0	-66.69	411.77	6.89	-59.80
C=CCOCC(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716426	0	47	0.0	-71.60	373.37	5.59	-66.01
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1CCOCC1	REAL300012716427	0	50	0.0	-70.75	369.92	5.61	-65.14
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=C(F)C(F)=C1	REAL300012716428	0	46	0.0	-66.09	371.71	7.80	-58.29
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=C(Cl)C(F)=C1	REAL300012716429	0	46	0.0	-66.04	381.60	8.25	-57.79
COC1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C(C(=O)[O-])C1	REAL300012716430	0	50	0.0	-79.71	363.37	7.62	-72.09
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCOC1	REAL300012716431	0	50	0.0	-68.61	366.71	5.49	-63.12
CC1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C(C(=O)[O-])C1	REAL300012716432	0	49	0.0	-78.64	346.66	8.93	-69.71
CC1=CC(C(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])=CC=C1F	REAL300012716433	0	49	0.0	-68.52	385.70	8.38	-60.14
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=C2OCCC2=C1	REAL300012716434	0	51	0.0	-70.69	394.28	7.55	-63.14
CC1=CC(C(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])=CC(C)=C1	REAL300012716435	0	52	0.0	-72.74	401.58	9.08	-63.66
CC1=CC=C(C(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1C	REAL300012716436	0	52	0.0	-72.61	397.42	8.88	-63.73
COC1=CC=C(C(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1Cl	REAL300012716437	0	50	0.0	-69.32	404.53	7.54	-61.78
CC1=CC=CC(C(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])=C1C	REAL300012716438	0	52	0.0	-72.74	388.96	8.69	-64.05
COC1=CC=C(C(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1F	REAL300012716439	0	50	0.0	-69.17	394.48	7.12	-62.05
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716440	0	52	0.0	-54.27	418.48	11.43	-42.84
CC(C(=O)[O-])N(C(=O)NC1CC[NH+](C2CC2)CC1)C1CCC1	REAL300012716441	0	49	0.0	-48.59	349.80	9.48	-39.11
CCCN(C(=O)NC1CC[NH+](C2CC2)CC1)C(COC)C(=O)[O-]	REAL300012716442	0	52	0.0	-71.65	388.49	9.31	-62.34
CCCN(C(=O)NC1CC[NH+](C2CC2)CC1)C(CC)C(=O)[O-]	REAL300012716443	0	51	0.0	-69.13	373.72	9.40	-59.73
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=C(Cl)C=C1	REAL300012716444	0	46	0.0	-67.02	375.08	8.23	-58.79
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716445	0	44	0.0	-76.63	332.40	8.52	-68.11
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CCCCC1	REAL300012716446	0	49	0.0	-73.17	352.35	7.81	-65.36
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CCCCCC1	REAL300012716447	0	52	0.0	-73.73	357.98	8.46	-65.27
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716448	0	49	0.0	-72.80	381.25	8.62	-64.18
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716449	0	49	0.0	-58.79	379.73	10.42	-48.37
O=C([O-])[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1	REAL300012716450	0	46	0.0	-71.38	358.76	7.75	-63.63
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1	REAL300012716451	0	46	0.0	-70.82	363.42	7.88	-62.94
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716452	0	49	0.0	-72.80	381.25	8.62	-64.18
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716453	0	50	0.0	-78.39	375.03	10.85	-67.54
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=CS1	REAL300012716454	0	43	0.0	-68.78	349.97	6.79	-61.99
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CCCCC1	REAL300012716455	0	49	0.0	-73.17	352.35	7.81	-65.36
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716456	0	49	0.0	-54.48	396.47	10.94	-43.54
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716457	0	53	0.0	-74.04	410.30	8.69	-65.35
COC1=CC(CN(CC(=O)[O-])C(=O)NC2CC[NH+](C3CC3)CC2)=CC(OC)=C1	REAL300012716458	0	57	0.0	-59.24	438.73	9.03	-50.21
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=C(Br)C=C1	REAL300012716459	0	46	0.0	-66.90	379.64	8.33	-58.57
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716460	0	49	0.0	-54.67	386.15	10.49	-44.18
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CC2=CC=CC=C2C1	REAL300012716461	0	50	0.0	-72.38	376.94	8.85	-63.53
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC(F)=CC=C1F	REAL300012716462	0	46	0.0	-71.76	369.83	7.83	-63.93
CC(NC(=O)NC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012716463	0	49	0.0	-72.55	366.78	8.45	-64.10
CCCCCCC(C)(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716464	0	57	0.0	-68.51	417.37	9.27	-59.24
CN(C(=O)NC1CC[NH+](C2CC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012716465	0	52	0.0	-68.59	394.24	10.75	-57.84
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=C(Cl)C=C1	REAL300012716466	0	46	0.0	-67.02	375.08	8.23	-58.79
CN(C(=O)NC1CC[NH+](C2CC2)CC1)C1(C(=O)[O-])CCCCC1	REAL300012716467	0	52	0.0	-76.36	361.59	9.12	-67.24
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716468	0	52	0.0	-57.71	402.15	11.20	-46.51
CN(C(=O)NC1CC[NH+](C2CC2)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012716469	0	49	0.0	-75.34	369.37	9.21	-66.13
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CCC2=CC=CC=C21	REAL300012716470	0	50	0.0	-75.85	373.69	8.77	-67.08
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716471	0	53	0.0	-78.36	415.14	8.56	-69.80
O=C([O-])C1CCCCCN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716472	0	49	0.0	-77.53	345.99	9.06	-68.47
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716473	0	52	0.0	-57.71	402.15	11.20	-46.51
O=C([O-])CN(C(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1	REAL300012716474	0	49	0.0	-55.78	361.52	9.19	-46.59
CCCCCC(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716475	0	51	0.0	-68.72	391.50	8.20	-60.52
CCC1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)(C(=O)[O-])CC1	REAL300012716476	0	55	0.0	-73.07	391.40	9.06	-64.01
O=C([O-])CN(C(=O)NC1CC[NH+](C2CC2)CC1)C1CCOCC1	REAL300012716477	0	50	0.0	-56.06	365.52	7.31	-48.75
CN(C(=O)NC1CC[NH+](C2CC2)CC1)C1(C(=O)[O-])CCCC1	REAL300012716478	0	49	0.0	-77.18	348.27	8.40	-68.78
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](C2CC2)CC1)C1CC1	REAL300012716479	0	49	0.0	-71.32	354.67	9.05	-62.27
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1Cl	REAL300012716480	0	46	0.0	-74.09	370.89	8.09	-66.00
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1F	REAL300012716481	0	46	0.0	-78.04	363.40	7.76	-70.28
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716482	0	50	0.0	-60.79	378.40	10.31	-50.48
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716483	0	49	0.0	-73.54	395.13	8.89	-64.65
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716484	0	55	0.0	-75.25	424.91	10.67	-64.58
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716485	0	55	0.0	-71.63	402.91	8.86	-62.77
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716486	0	52	0.0	-57.31	391.93	11.04	-46.27
CC1=CC=C(C(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300012716487	0	49	0.0	-72.62	380.39	8.35	-64.27
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716488	0	42	0.0	-63.49	342.93	6.58	-56.91
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300012716489	0	52	0.0	-72.85	404.71	10.01	-62.84
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CCSCC1	REAL300012716490	0	47	0.0	-70.76	350.01	7.48	-63.28
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716491	0	49	0.0	-69.21	365.81	7.01	-62.20
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716492	0	55	0.0	-56.30	412.24	11.97	-44.33
O=C([O-])CN(CCC(F)(F)F)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716493	0	45	0.0	-58.13	364.80	8.76	-49.37
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1	REAL300012716494	0	52	0.0	-73.25	376.56	7.81	-65.44
CN(C(=O)NC1CC[NH+](C2CC2)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012716495	0	53	0.0	-69.65	396.16	8.70	-60.95
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716496	0	53	0.0	-77.44	401.31	11.98	-65.46
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CCOCC1	REAL300012716497	0	47	0.0	-73.84	343.76	5.32	-68.52
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716498	0	52	0.0	-50.27	391.32	11.29	-38.98
COC1=CC=C(C(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300012716499	0	50	0.0	-72.27	388.45	6.97	-65.30
CCC(COC)(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716500	0	49	0.0	-73.75	366.06	6.37	-67.38
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716501	0	52	0.0	-69.81	386.08	7.77	-62.04
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CCS(=O)(=O)CC1	REAL300012716502	0	49	0.0	-74.41	368.89	3.80	-70.61
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716503	0	51	0.0	-69.25	372.99	9.04	-60.21
O=C([O-])C(CC(F)F)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716504	0	42	0.0	-64.39	337.61	6.39	-58.00
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716505	0	52	0.0	-75.86	373.88	9.70	-66.16
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716506	0	52	0.0	-53.05	391.67	11.25	-41.80
CCC(NC(=O)NC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012716507	0	52	0.0	-68.37	400.41	9.83	-58.54
CCC(NC(=O)NC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012716508	0	52	0.0	-71.15	388.17	9.55	-61.60
COC1CCCC(C(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])C1	REAL300012716509	0	56	0.0	-75.04	408.34	6.88	-68.16
COC1(CC(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])CCC1	REAL300012716510	0	53	0.0	-73.54	392.79	6.94	-66.60
O=C([O-])CN(C(=O)NC1CC[NH+](C2CC2)CC1)C1CCOCC1	REAL300012716511	0	50	0.0	-56.06	365.52	7.31	-48.75
O=C([O-])CN(C(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1	REAL300012716512	0	52	0.0	-56.16	378.91	9.89	-46.27
C[C@H]1CC[C@@](NC(=O)NC2CC[NH+](C3CC3)CC2)(C(=O)[O-])CC1	REAL300012716513	0	52	0.0	-73.31	366.14	8.19	-65.12
COC1=CC=CC(C(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])=C1	REAL300012716514	0	50	0.0	-74.03	388.50	6.97	-67.06
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1Br	REAL300012716515	0	46	0.0	-73.16	374.03	8.15	-65.01
CC(CCF)(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716516	0	45	0.0	-65.31	337.97	6.32	-58.99
O=C([O-])C1C2=C(CCN1C(=O)NC1CC[NH+](C3CC3)CC1)OC=C2	REAL300012716517	0	47	0.0	-61.75	356.72	8.29	-53.46
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716518	0	43	0.0	-71.00	336.75	7.27	-63.73
COC1=CC=CC([C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])=C1	REAL300012716519	0	50	0.0	-74.76	388.47	6.97	-67.79
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300012716520	0	52	0.0	-78.01	387.88	9.41	-68.60
COC1=CC=CC(CC(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])=C1	REAL300012716521	0	53	0.0	-72.07	410.70	7.92	-64.15
CC1(C)CCCC(NC(=O)NC2CC[NH+](C3CC3)CC2)(C(=O)[O-])C1	REAL300012716522	0	55	0.0	-74.86	384.70	8.90	-65.96
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716523	0	52	0.0	-69.73	401.10	9.32	-60.41
CC(NC(=O)NC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012716524	0	51	0.0	-74.80	395.01	9.12	-65.68
COC1CN(C(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C(=O)[O-])C1	REAL300012716525	0	50	0.0	-74.86	376.42	7.21	-67.65
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716526	0	53	0.0	-69.92	389.75	7.18	-62.74
C=C(Cl)CC(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716527	0	43	0.0	-70.24	355.67	6.89	-63.35
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716528	0	47	0.0	-81.10	341.39	8.95	-72.15
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716529	0	52	0.0	-70.34	390.79	8.87	-61.47
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716530	0	43	0.0	-70.95	341.21	7.48	-63.47
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716531	0	53	0.0	-72.10	398.70	6.62	-65.48
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1CCOCC1	REAL300012716532	0	50	0.0	-70.75	369.92	5.61	-65.14
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1	REAL300012716533	0	46	0.0	-70.82	363.42	7.88	-62.94
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012716534	0	49	0.0	-71.33	397.69	8.66	-62.67
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716535	0	45	0.0	-69.31	366.95	5.80	-63.51
CC(C)CCCC(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716536	0	54	0.0	-69.19	409.31	8.64	-60.55
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716537	0	52	0.0	-75.11	410.68	9.08	-66.03
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716538	0	50	0.0	-74.50	383.20	6.25	-68.25
CSCC(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716539	0	43	0.0	-67.19	350.03	6.26	-60.93
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716540	0	49	0.0	-69.68	387.66	8.68	-61.00
CCC(C)CC(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716541	0	51	0.0	-69.12	383.93	7.83	-61.29
C=CCCCC(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716542	0	49	0.0	-69.29	383.05	7.91	-61.38
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716543	0	49	0.0	-70.68	387.61	8.68	-62.00
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=CC2=CC=CC=C21	REAL300012716544	0	52	0.0	-74.67	398.85	9.86	-64.81
O=C([O-])C1CSCCN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716545	0	44	0.0	-76.63	332.40	8.52	-68.11
CC(NC(=O)NC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012716546	0	49	0.0	-72.55	366.78	8.45	-64.10
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716547	0	47	0.0	-80.90	348.26	9.21	-71.69
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716548	0	42	0.0	-64.96	339.79	8.12	-56.84
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716549	0	42	0.0	-64.96	339.79	8.12	-56.84
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716550	0	55	0.0	-57.42	409.08	5.90	-51.52
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC[NH+](C3CC3)CC2)CC1	REAL300012716551	1	59	0.0	-57.46	433.14	5.60	-51.86
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716552	0	50	0.0	-55.83	376.85	10.31	-45.52
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1C(=O)[O-]	REAL300012716553	0	53	0.0	-61.95	386.04	10.75	-51.20
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716554	0	51	0.0	-70.12	378.57	8.81	-61.31
O=C([O-])[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1	REAL300012716555	0	46	0.0	-71.38	358.76	7.75	-63.63
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300012716556	0	49	0.0	-68.01	397.49	8.75	-59.26
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716557	0	51	0.0	-73.26	399.11	7.62	-65.64
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716558	0	45	0.0	-73.68	367.53	5.68	-68.00
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716559	0	46	0.0	-66.43	390.87	7.65	-58.78
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716560	0	46	0.0	-84.88	352.16	5.05	-79.83
CN1CC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CC3)CC2)CC1=O	REAL300012716561	0	47	0.0	-71.22	349.41	6.77	-64.45
O=C([O-])[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1	REAL300012716562	0	46	0.0	-72.17	358.74	7.75	-64.42
CC(CN1C=CC=N1)(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716563	0	49	0.0	-71.50	372.79	7.02	-64.48
O=C([O-])CN(C(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1	REAL300012716564	0	49	0.0	-55.78	361.52	9.19	-46.59
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CC(CO)C1	REAL300012716565	0	47	0.0	-74.53	360.65	3.79	-70.74
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716566	0	55	0.0	-73.05	405.52	6.94	-66.11
CC1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)(C(=O)[O-])C1	REAL300012716567	0	49	0.0	-73.43	358.89	7.32	-66.11
CC1(C)CCCC1(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716568	0	52	0.0	-75.14	366.69	7.93	-67.21
CN(C(=O)NC1CC[NH+](C2CC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012716569	0	52	0.0	-68.59	394.24	10.75	-57.84
CC1(C)CC(NC(=O)NC2CC[NH+](C3CC3)CC2)(C(=O)[O-])C1	REAL300012716570	0	49	0.0	-75.97	360.16	7.99	-67.98
CC1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012716571	0	56	0.0	-76.86	407.76	10.05	-66.81
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716572	0	55	0.0	-72.47	407.17	6.83	-65.64
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716573	0	54	0.0	-62.39	401.22	11.23	-51.16
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1CCOC1	REAL300012716574	0	47	0.0	-69.46	350.05	4.54	-64.92
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716575	0	47	0.0	-78.83	347.72	8.84	-69.99
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CNC2=CC=CC=C12	REAL300012716576	0	50	0.0	-78.48	390.66	7.81	-70.67
O=C([O-])C12COC(CN1C(=O)NC1CC[NH+](C3CC3)CC1)C2	REAL300012716577	0	45	0.0	-77.19	336.21	6.33	-70.86
CC1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300012716578	0	49	0.0	-79.18	354.02	9.39	-69.79
CC(C1=CC=CC=C1)C(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716579	0	52	0.0	-70.88	397.97	9.02	-61.86
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716580	0	53	0.0	-70.73	390.80	9.47	-61.26
CC1(C)CC(NC(=O)NC2CC[NH+](C3CC3)CC2)(C(=O)[O-])CC(C)(C)O1	REAL300012716581	0	59	0.0	-72.02	416.23	8.38	-63.64
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1	REAL300012716582	0	52	0.0	-73.25	376.56	7.81	-65.44
O=C([O-])C(CC1CCCCO1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716583	0	53	0.0	-70.47	394.81	7.40	-63.07
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716584	0	53	0.0	-51.30	368.66	9.34	-41.96
CC1(C)CC(NC(=O)NC2CC[NH+](C3CC3)CC2)(C(=O)[O-])CCO1	REAL300012716585	0	53	0.0	-73.37	372.85	6.61	-66.76
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716586	0	52	0.0	-73.31	419.43	9.88	-63.43
CC1=CC=CC2=C1CCN(C(=O)NC1CC[NH+](C3CC3)CC1)C2C(=O)[O-]	REAL300012716587	0	53	0.0	-61.46	396.43	10.74	-50.72
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716588	0	47	0.0	-56.21	342.52	8.46	-47.75
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716589	0	53	0.0	-70.73	390.80	9.47	-61.26
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716590	0	49	0.0	-73.94	387.66	8.69	-65.25
COC1CC(NC(=O)NC2CC[NH+](C3CC3)CC2)(C(=O)[O-])C1	REAL300012716591	0	47	0.0	-76.45	357.31	5.26	-71.19
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CC(F)(F)C1	REAL300012716592	0	43	0.0	-72.31	332.38	6.33	-65.98
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](C3CC3)CC2)(C(=O)[O-])C1	REAL300012716593	0	47	0.0	-71.96	356.02	5.56	-66.40
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1(C(F)(F)F)CC1	REAL300012716594	0	46	0.0	-73.82	362.94	7.35	-66.47
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716595	0	49	0.0	-79.17	351.86	9.26	-69.91
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716596	0	42	0.0	-63.49	342.93	6.58	-56.91
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716597	0	50	0.0	-70.19	376.95	5.73	-64.46
O=C([O-])C(CC1=CC=CS1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716598	0	46	0.0	-70.12	372.28	7.70	-62.42
COCC(NC(=O)NC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012716599	0	53	0.0	-69.71	404.38	7.87	-61.84
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716600	0	47	0.0	-76.42	349.65	8.50	-67.92
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716601	0	52	0.0	-53.05	391.67	11.25	-41.80
O=C([O-])C(CC1=CC=C(OC(F)F)C=C1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716602	0	53	0.0	-73.78	420.44	8.19	-65.59
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716603	0	55	0.0	-71.63	402.91	8.86	-62.77
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716604	0	52	0.0	-71.51	408.65	9.60	-61.91
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716605	0	52	0.0	-70.85	403.98	9.45	-61.40
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1CC2CCC1C2	REAL300012716606	0	53	0.0	-71.91	384.62	8.46	-63.45
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716607	0	55	0.0	-70.38	402.91	8.86	-61.52
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716608	0	55	0.0	-71.46	402.32	8.82	-62.64
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716609	0	53	0.0	-55.31	383.35	9.48	-45.83
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716610	0	53	0.0	-77.28	385.75	9.62	-67.66
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=C(OCC(F)F)C=C1	REAL300012716611	0	53	0.0	-76.30	423.32	8.22	-68.08
COC1=CC=C(CC(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300012716612	0	53	0.0	-70.03	409.85	7.93	-62.10
C=CCSCC(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716613	0	47	0.0	-67.27	384.31	7.72	-59.55
N#CC1=CC=C(CC(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300012716614	0	50	0.0	-70.24	402.01	9.00	-61.24
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716615	0	53	0.0	-85.39	420.64	8.66	-76.73
COC1(C(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])CCC1	REAL300012716616	0	50	0.0	-67.77	374.18	5.44	-62.33
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CCC(C(F)F)CC1	REAL300012716617	0	52	0.0	-73.86	384.74	8.64	-65.22
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CCC2=CC=CC=C2C1	REAL300012716618	0	53	0.0	-73.66	390.24	9.73	-63.93
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CC(C(F)F)C1	REAL300012716619	0	46	0.0	-75.75	360.62	7.30	-68.45
CC(C)(C)C1=CC=C(C(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300012716621	0	58	0.0	-70.19	434.56	10.03	-60.16
CC(C)C1=CC=C(C(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300012716622	0	55	0.0	-70.20	418.58	9.64	-60.56
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716623	0	45	0.0	-55.99	337.13	8.29	-47.70
CC1(C)CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1C(=O)[O-]	REAL300012716624	0	49	0.0	-78.14	362.15	8.37	-69.77
CCOC1=CC=C(C(NC(=O)NC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300012716625	0	53	0.0	-71.58	409.70	7.93	-63.65
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716626	0	53	0.0	-78.11	376.68	10.14	-67.97
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1CCC2=CC=CC=C21	REAL300012716627	0	53	0.0	-71.85	400.99	9.53	-62.32
CC(COC1=CC=CC=C1)(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716628	0	53	0.0	-74.47	405.83	8.92	-65.55
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716629	0	49	0.0	-74.77	394.98	8.66	-66.11
CC(C)CCC(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716630	0	51	0.0	-68.92	387.56	7.93	-60.99
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716631	0	50	0.0	-55.98	369.43	8.93	-47.05
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716632	0	50	0.0	-70.19	376.95	5.73	-64.46
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300012716633	0	47	0.0	-74.19	369.11	8.87	-65.32
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CCCC2CC21	REAL300012716634	0	50	0.0	-72.81	360.89	8.18	-64.63
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CCC2CC21	REAL300012716635	0	47	0.0	-74.04	349.75	7.74	-66.30
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CC2(CCC2)C1	REAL300012716636	0	50	0.0	-73.19	370.95	8.13	-65.06
CN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012716637	0	52	0.0	-69.47	389.82	10.54	-58.93
O=C([O-])C1CC2(CN1C(=O)NC1CC[NH+](C3CC3)CC1)CCCCC2	REAL300012716638	0	56	0.0	-53.28	397.61	9.95	-43.33
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1	REAL300012716639	0	49	0.0	-71.71	366.26	7.31	-64.40
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716640	0	49	0.0	-58.79	379.73	10.42	-48.37
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012716641	0	56	0.0	-71.55	433.14	11.07	-60.48
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300012716642	0	49	0.0	-53.54	361.40	8.30	-45.24
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716643	0	50	0.0	-56.95	386.13	10.09	-46.86
CC(NC(=O)NC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012716644	0	52	0.0	-67.10	405.51	9.46	-57.64
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716645	0	46	0.0	-77.50	344.53	8.84	-68.66
O=C([O-])C1N(C(=O)NC2CC[NH+](C3CC3)CC2)CCC1(F)F	REAL300012716646	0	43	0.0	-78.84	338.71	7.45	-71.39
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716647	0	49	0.0	-73.94	387.66	8.69	-65.25
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716648	0	46	0.0	-69.52	371.23	7.55	-61.97
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716649	0	46	0.0	-68.32	350.77	8.17	-60.15
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CC2(CC(F)(F)C2)C1	REAL300012716650	0	50	0.0	-73.88	386.03	8.33	-65.55
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716651	0	54	0.0	-73.89	414.26	10.17	-63.72
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716652	0	46	0.0	-69.52	371.23	7.55	-61.97
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716653	0	50	0.0	-77.11	364.93	8.86	-68.25
COCCCC(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716654	0	49	0.0	-68.26	382.17	5.71	-62.55
CC(C)(C)CC(NC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012716655	0	51	0.0	-71.17	378.09	8.21	-62.96
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCO1	REAL300012716656	0	50	0.0	-73.56	373.32	5.74	-67.82
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C1=CC=CC(Br)=C1	REAL300012716657	0	46	0.0	-71.11	380.25	8.28	-62.83
O=C([O-])C1(NC(=O)NC2CC[NH+](C3CC3)CC2)CC2=CC=CC=C2C1	REAL300012716658	0	50	0.0	-72.38	376.94	8.85	-63.53
C[C@H]1OCCN(C(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1C(=O)[O-]	REAL300012716659	0	47	0.0	-77.29	348.61	7.28	-70.01
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716660	0	49	0.0	-71.28	362.56	8.39	-62.89
O=C([O-])C(NC(=O)NC1CC[NH+](C2CC2)CC1)C12CC3CC(CC(C3)C1)C2	REAL300012716661	0	60	0.0	-72.56	413.75	9.72	-62.84
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716662	0	52	0.0	-71.61	405.74	9.00	-62.61
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716663	0	46	0.0	-57.76	361.41	8.56	-49.20
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716664	0	57	0.0	-77.23	394.91	9.07	-68.16
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[NH+](C2CC2)CC1	REAL300012716665	0	48	0.0	-70.05	392.23	7.29	-62.76
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300012716666	0	50	0.0	-73.31	381.41	7.53	-65.78
CC(C)C[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716667	0	55	0.0	-80.70	425.14	6.74	-73.96
C=CCOCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716668	0	54	0.0	-82.24	433.31	5.12	-77.12
C=CC(C)C(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716669	0	53	0.0	-78.43	416.71	6.50	-71.93
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCOCC3)C=N2)CC1	REAL300012716670	0	57	0.0	-83.77	431.20	5.18	-78.59
COC1CCN(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)C(C(=O)[O-])C1	REAL300012716671	0	57	0.0	-92.25	426.99	7.44	-84.81
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCOC3)C=N2)CC1	REAL300012716672	0	57	0.0	-79.24	431.16	5.15	-74.09
CC1CCN(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)C(C(=O)[O-])C1	REAL300012716673	0	56	0.0	-92.79	410.91	8.88	-83.91
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716674	0	52	0.0	-68.34	406.12	7.91	-60.43
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C1CCC1	REAL300012716675	0	56	0.0	-66.50	415.02	8.93	-57.57
CCCN(C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(COC)C(=O)[O-]	REAL300012716676	0	59	0.0	-85.89	448.98	8.83	-77.06
CCCN(C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(CC)C(=O)[O-]	REAL300012716677	0	58	0.0	-66.78	429.56	9.53	-57.25
CC(C)C(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716678	0	52	0.0	-81.13	403.74	5.90	-75.23
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=N2)CC1	REAL300012716679	0	53	0.0	-92.45	396.77	8.53	-83.92
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=N2)CC1	REAL300012716680	0	51	0.0	-88.21	396.60	8.37	-79.84
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=N2)CC1	REAL300012716681	0	56	0.0	-85.22	416.22	7.54	-77.68
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC3C(=O)[O-])C=N2)CC1	REAL300012716682	0	50	0.0	-87.56	385.47	7.24	-80.32
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=N2)CC1	REAL300012716683	0	53	0.0	-85.27	401.70	6.44	-78.83
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCCC3)C=N2)CC1	REAL300012716684	0	59	0.0	-85.94	421.84	8.21	-77.73
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=N2)CC1	REAL300012716685	0	56	0.0	-81.95	445.13	8.35	-73.60
C[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C=N2)CC1	REAL300012716686	0	56	0.0	-68.66	443.62	10.16	-58.50
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC(=O)[O-])C=N2)CC1	REAL300012716687	0	43	0.0	-68.40	344.08	3.49	-64.91
C[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300012716688	0	53	0.0	-81.98	422.62	7.49	-74.49
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300012716689	0	53	0.0	-82.26	422.21	7.43	-74.83
CCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716690	0	49	0.0	-80.08	385.86	5.34	-74.74
CC(C)C(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716691	0	52	0.0	-81.13	403.74	5.90	-75.23
CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716692	0	46	0.0	-79.18	362.81	6.17	-73.01
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=N2)CC1	REAL300012716693	0	56	0.0	-81.95	445.13	8.35	-73.60
CC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716694	0	46	0.0	-69.44	365.18	4.27	-65.17
CCC(C)C(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716695	0	55	0.0	-81.25	417.35	6.31	-74.94
CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716696	0	46	0.0	-79.18	362.81	6.17	-73.01
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCCC3C(=O)[O-])C=N2)CC1	REAL300012716697	0	53	0.0	-92.45	396.77	8.53	-83.92
CCCC(C)(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716698	0	55	0.0	-82.20	412.33	6.46	-75.74
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716699	0	52	0.0	-68.88	394.74	7.42	-61.46
C[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=N2)CC1	REAL300012716700	0	50	0.0	-82.53	385.66	7.43	-75.10
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716701	0	50	0.0	-68.04	397.43	7.71	-60.33
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716702	0	55	0.0	-67.75	420.53	8.21	-59.54
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(C)C(=O)[O-])C=N2)CC1	REAL300012716703	0	49	0.0	-67.36	377.44	4.71	-62.65
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3CC3)C=N2)CC1	REAL300012716704	0	53	0.0	-83.21	400.32	6.45	-76.76
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CS3)C=N2)CC1	REAL300012716705	0	50	0.0	-80.56	414.46	6.49	-74.07
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C=N2)CC1	REAL300012716706	0	56	0.0	-85.22	416.22	7.54	-77.68
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716707	0	52	0.0	-68.88	394.74	7.42	-61.46
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716708	0	52	0.0	-68.34	406.12	7.91	-60.43
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716709	0	49	0.0	-79.41	384.62	7.15	-72.26
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716710	0	55	0.0	-81.75	417.93	6.29	-75.46
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C=N2)CC1	REAL300012716711	0	53	0.0	-85.27	401.70	6.44	-78.83
CCC(C)(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716712	0	52	0.0	-81.73	390.83	5.71	-76.02
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300012716713	0	56	0.0	-84.13	430.65	8.18	-75.95
C[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716714	0	46	0.0	-69.24	364.70	4.34	-64.90
CCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716715	0	49	0.0	-79.41	384.62	7.15	-72.26
C[C@@H](NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716716	0	46	0.0	-69.02	364.86	4.31	-64.71
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC3)C=N2)CC1	REAL300012716717	0	47	0.0	-87.29	371.01	5.53	-81.76
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCOCC3C(=O)[O-])C=N2)CC1	REAL300012716718	0	51	0.0	-87.76	387.55	5.81	-81.95
CN(C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C1(C(=O)[O-])CCCCC1	REAL300012716719	0	59	0.0	-86.58	425.47	8.86	-77.72
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=N2)CC1	REAL300012716720	0	50	0.0	-80.17	393.61	5.81	-74.36
CN(C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012716721	0	56	0.0	-78.40	430.50	9.05	-69.35
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716722	0	53	0.0	-68.77	416.00	6.33	-62.44
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012716723	0	50	0.0	-87.51	386.21	6.93	-80.58
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012716724	0	53	0.0	-91.29	396.47	8.26	-83.03
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716725	0	49	0.0	-75.21	376.66	6.25	-68.96
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=N2)CC1	REAL300012716726	0	50	0.0	-87.97	386.18	6.96	-81.01
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC3)C=N2)CC1	REAL300012716727	0	50	0.0	-86.59	387.81	6.04	-80.55
C=CCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716728	0	50	0.0	-80.22	400.01	5.77	-74.45
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C=N2)CC1	REAL300012716729	0	53	0.0	-87.80	402.52	7.80	-80.00
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCCCC3C(=O)[O-])C=N2)CC1	REAL300012716730	0	56	0.0	-90.45	409.66	8.78	-81.67
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CC3)C=N2)CC1	REAL300012716731	0	50	0.0	-80.17	393.61	5.81	-74.36
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716732	0	49	0.0	-75.43	376.79	6.40	-69.03
CCCCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716733	0	55	0.0	-80.48	429.69	6.87	-73.61
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=N2)CC1	REAL300012716734	0	53	0.0	-87.81	402.59	7.78	-80.03
C[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=N2)CC1	REAL300012716735	0	56	0.0	-67.81	420.95	8.72	-59.09
COCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716736	0	50	0.0	-82.16	398.55	3.57	-78.59
CCCCCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716737	0	58	0.0	-80.42	451.19	7.66	-72.76
C[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCOCC3)C=N2)CC1	REAL300012716738	0	57	0.0	-68.37	429.42	7.05	-61.32
CN(C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C1(C(=O)[O-])CCCC1	REAL300012716739	0	56	0.0	-88.38	412.14	8.15	-80.23
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C1CC1	REAL300012716740	0	53	0.0	-68.29	403.06	7.73	-60.56
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C1CC1	REAL300012716741	0	56	0.0	-78.95	418.64	8.89	-70.06
CC1=CC=C(C(NC(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)C(=O)[O-])C=C1	REAL300012716742	0	56	0.0	-82.08	444.01	8.16	-73.92
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=N2)CC1	REAL300012716743	0	49	0.0	-74.98	402.63	6.02	-68.96
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCSCC3)C=N2)CC1	REAL300012716744	0	54	0.0	-80.90	413.91	7.24	-73.66
COCC(C)(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716745	0	53	0.0	-85.89	409.08	4.99	-80.90
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716746	0	56	0.0	-76.53	428.83	6.70	-69.83
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716747	0	55	0.0	-67.75	420.53	8.21	-59.54
C[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CC3)C=N2)CC1	REAL300012716748	0	50	0.0	-82.53	385.66	7.43	-75.10
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C=N2)CC1	REAL300012716749	0	51	0.0	-81.21	392.34	3.83	-77.38
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCCC3)C=N2)CC1	REAL300012716750	0	59	0.0	-82.02	439.76	7.61	-74.41
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCOCC3)C=N2)CC1	REAL300012716751	0	54	0.0	-84.39	407.63	5.05	-79.34
C=CCCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716752	0	53	0.0	-79.65	420.17	6.67	-72.98
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(CF)C(=O)[O-])C=N2)CC1	REAL300012716753	0	46	0.0	-67.41	368.49	4.32	-63.09
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716754	0	49	0.0	-75.43	376.79	6.40	-69.03
CCC(CC)(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716755	0	55	0.0	-83.14	407.50	6.60	-76.54
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716756	0	55	0.0	-66.94	417.70	8.65	-58.29
CCC(COC)(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716757	0	56	0.0	-87.35	425.75	5.90	-81.45
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716758	0	59	0.0	-77.18	449.10	7.46	-69.72
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=N2)CC1	REAL300012716759	0	53	0.0	-79.87	418.57	6.83	-73.04
COCCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716760	0	53	0.0	-79.89	419.53	4.40	-75.49
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716761	0	58	0.0	-77.55	435.93	8.77	-68.78
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C=N2)CC1	REAL300012716762	0	49	0.0	-75.30	396.48	5.87	-69.43
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716763	0	59	0.0	-89.97	437.29	9.77	-80.20
CCCN(C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(C)C(=O)[O-]	REAL300012716764	0	55	0.0	-75.85	416.36	7.98	-67.87
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(CCF)C(=O)[O-])C=N2)CC1	REAL300012716765	0	49	0.0	-78.23	392.45	5.48	-72.75
C[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCOCC3)C=N2)CC1	REAL300012716766	0	57	0.0	-68.37	429.42	7.05	-61.32
C[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCCC3)C=N2)CC1	REAL300012716767	0	59	0.0	-67.17	438.34	9.43	-57.74
C[C@H]1CC[C@@](NC(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)(C(=O)[O-])CC1	REAL300012716768	0	59	0.0	-85.55	430.01	7.93	-77.62
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C=N2)CC1	REAL300012716769	0	52	0.0	-78.35	397.43	5.85	-72.50
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])C=N2)CC1	REAL300012716770	0	54	0.0	-71.21	420.19	8.02	-63.19
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012716771	0	50	0.0	-79.76	399.20	7.09	-72.67
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716772	0	49	0.0	-75.18	378.02	6.46	-68.72
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C=N2)CC1	REAL300012716773	0	51	0.0	-93.22	392.70	7.89	-85.33
COC1CN(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)C(C)(C(=O)[O-])C1	REAL300012716774	0	57	0.0	-86.98	435.84	6.77	-80.21
C[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N2)CC1	REAL300012716775	0	55	0.0	-80.80	415.87	6.45	-74.35
C=C(Cl)CC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716776	0	50	0.0	-80.57	415.13	6.40	-74.17
C=C(C)CC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716777	0	53	0.0	-80.67	420.54	6.52	-74.15
C[NH+]1CCN(C2=CC=C(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)C=N2)CC1	REAL300012716778	0	54	0.0	-93.03	405.25	8.72	-84.31
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=N2)CC1	REAL300012716779	0	50	0.0	-79.40	399.20	7.14	-72.26
C[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=N2)CC1	REAL300012716780	0	50	0.0	-83.52	391.93	7.34	-76.18
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)C1	REAL300012716781	0	51	0.0	-87.89	399.63	7.32	-80.57
CC(C)C[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716782	0	55	0.0	-80.70	425.14	6.74	-73.96
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCOCC3)C=N2)CC1	REAL300012716783	0	57	0.0	-83.77	431.20	5.18	-78.59
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300012716784	0	53	0.0	-82.26	422.21	7.43	-74.83
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C=N2)CC1	REAL300012716785	0	53	0.0	-79.87	418.57	6.83	-73.04
CC(C)CCCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716786	0	61	0.0	-79.93	467.93	8.18	-71.75
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC3CCCO3)C(=O)[O-])C=N2)CC1	REAL300012716787	0	57	0.0	-84.73	442.64	5.78	-78.95
CSCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716788	0	50	0.0	-78.43	410.16	5.74	-72.69
COC[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716789	0	50	0.0	-81.85	398.06	3.56	-78.29
CC[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716790	0	49	0.0	-80.60	386.69	5.34	-75.26
CCC(C)CC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716791	0	58	0.0	-80.98	443.63	7.29	-73.69
C=CCCCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716792	0	56	0.0	-80.12	442.50	7.44	-72.68
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCSCC3C(=O)[O-])C=N2)CC1	REAL300012716793	0	51	0.0	-88.21	396.60	8.37	-79.84
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300012716794	0	56	0.0	-84.13	430.65	8.18	-75.95
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012716795	0	50	0.0	-87.51	386.21	6.93	-80.58
CCCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716796	0	52	0.0	-80.55	408.19	6.09	-74.46
CC(C)[C@@H](NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716797	0	52	0.0	-79.58	401.81	5.94	-73.64
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C=N2)CC1	REAL300012716798	0	54	0.0	-92.91	407.57	8.77	-84.14
CCN(C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(C)(C)C(=O)[O-]	REAL300012716799	0	55	0.0	-84.78	411.36	8.09	-76.69
CCCN(C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(C)C(=O)[O-]	REAL300012716800	0	55	0.0	-75.85	416.36	7.98	-67.87
C[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=N2)CC1	REAL300012716801	0	49	0.0	-74.80	399.24	7.65	-67.15
C[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=N2)CC1	REAL300012716802	0	49	0.0	-74.80	399.24	7.65	-67.15
CN(C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(C)(C)C(=O)[O-]	REAL300012716803	0	52	0.0	-84.62	391.93	7.22	-77.40
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C=N2)CC1	REAL300012716804	0	50	0.0	-87.97	386.18	6.96	-81.01
C[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012716805	0	51	0.0	-89.34	398.86	3.44	-85.90
CCC[C@@H](NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716806	0	52	0.0	-79.65	407.95	6.16	-73.49
C[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300012716807	0	53	0.0	-81.98	422.62	7.49	-74.49
C=CCCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716808	0	53	0.0	-79.65	420.17	6.67	-72.98
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)CC1=O	REAL300012716809	0	54	0.0	-81.96	413.49	6.53	-75.43
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=N2)CC1	REAL300012716810	0	53	0.0	-87.22	402.55	7.80	-79.42
CC(C)[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716811	0	52	0.0	-81.15	403.73	5.90	-75.25
C[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300012716812	0	53	0.0	-82.26	422.22	7.43	-74.83
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716813	0	49	0.0	-75.18	378.02	6.46	-68.72
CCC[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716814	0	52	0.0	-80.57	408.19	6.09	-74.48
CCN(C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(C)C(=O)[O-]	REAL300012716815	0	52	0.0	-75.17	394.40	7.18	-67.99
C[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C=N2)CC1	REAL300012716816	0	56	0.0	-67.81	420.95	8.72	-59.09
CC(CN(C)C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716817	0	52	0.0	-78.20	397.05	6.81	-71.39
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716818	0	55	0.0	-81.75	417.93	6.29	-75.46
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716819	0	52	0.0	-75.93	397.07	7.49	-68.44
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)C=N2)CC1	REAL300012716820	0	54	0.0	-91.73	418.36	3.23	-88.50
CC1CCC(NC(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)(C(=O)[O-])C1	REAL300012716821	0	56	0.0	-85.57	422.76	7.07	-78.50
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC3(C)C)C=N2)CC1	REAL300012716822	0	59	0.0	-86.82	430.63	7.69	-79.13
COCCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716823	0	53	0.0	-79.89	419.53	4.40	-75.49
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=N2)CC1	REAL300012716824	0	56	0.0	-86.92	424.24	7.76	-79.16
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C=N2)CC1	REAL300012716825	0	53	0.0	-81.64	415.42	6.46	-75.18
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012716826	0	51	0.0	-93.28	396.13	3.75	-89.53
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCOC3)C=N2)CC1	REAL300012716827	0	54	0.0	-80.92	413.80	4.31	-76.61
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=N2)CC1	REAL300012716828	0	54	0.0	-92.19	407.18	8.39	-83.80
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)C=N2)CC1	REAL300012716829	0	52	0.0	-88.67	400.08	6.07	-82.60
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)C1	REAL300012716830	0	56	0.0	-91.97	417.81	9.14	-82.83
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=N2)CC1	REAL300012716831	0	53	0.0	-81.76	406.81	6.31	-75.45
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCCC3)C=N2)CC1	REAL300012716832	0	59	0.0	-82.02	439.76	7.61	-74.41
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C=N2)CC1	REAL300012716833	0	53	0.0	-81.76	406.81	6.31	-75.45
CC1CCN(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)C1C(=O)[O-]	REAL300012716834	0	53	0.0	-88.31	401.61	7.40	-80.91
C=CCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716835	0	50	0.0	-80.22	400.01	5.77	-74.45
C[NH+]1CCN(C2=CC=C(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=N2)CC1	REAL300012716836	0	54	0.0	-67.14	408.30	8.28	-58.86
COC1CC(NC(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)(C(=O)[O-])C1	REAL300012716837	0	54	0.0	-88.04	421.29	5.01	-83.03
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=N2)CC1	REAL300012716838	0	50	0.0	-83.83	396.24	6.07	-77.76
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)(C(=O)[O-])C1	REAL300012716839	0	54	0.0	-84.59	419.92	5.30	-79.29
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716840	0	56	0.0	-88.36	418.34	8.95	-79.41
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=N2)CC1	REAL300012716841	0	49	0.0	-74.98	402.63	6.02	-68.96
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC3CCOC3)C(=O)[O-])C=N2)CC1	REAL300012716842	0	57	0.0	-79.88	441.34	5.46	-74.42
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])COC3)C=N2)CC1	REAL300012716843	0	48	0.0	-79.49	378.65	3.09	-76.40
CC(C)C(C)(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716844	0	55	0.0	-82.53	407.56	6.40	-76.13
C[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012716845	0	51	0.0	-91.16	392.78	8.45	-82.71
C[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012716846	0	54	0.0	-89.30	408.76	8.02	-81.28
C=CCSCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716847	0	54	0.0	-78.66	444.44	7.20	-71.46
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716848	0	55	0.0	-77.59	411.73	8.20	-69.39
COC1(C(NC(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)C(=O)[O-])CCC1	REAL300012716849	0	57	0.0	-78.13	433.63	4.97	-73.16
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC(C(F)F)C3)C=N2)CC1	REAL300012716850	0	53	0.0	-81.31	417.94	6.77	-74.54
C[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=N2)CC1	REAL300012716852	0	50	0.0	-83.52	391.93	7.34	-76.18
C[NH+]1CCN(C2=CC=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=N2)CC1	REAL300012716853	0	52	0.0	-67.56	400.99	8.01	-59.55
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])C=N2)CC1	REAL300012716854	0	56	0.0	-89.14	417.78	8.19	-80.95
CC(C)CCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716855	0	58	0.0	-80.19	446.43	7.40	-72.79
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CC4(CCC4)CC3C(=O)[O-])C=N2)CC1	REAL300012716856	0	57	0.0	-68.48	434.72	8.68	-59.80
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC3CCOC3)C(=O)[O-])C=N2)CC1	REAL300012716857	0	57	0.0	-79.88	441.34	5.46	-74.42
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)C1	REAL300012716858	0	54	0.0	-84.43	429.70	8.21	-76.22
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCCC4CC43)C=N2)CC1	REAL300012716859	0	57	0.0	-85.25	424.76	7.92	-77.33
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CCC4CC43)C=N2)CC1	REAL300012716860	0	54	0.0	-87.35	409.18	7.28	-80.07
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C=N2)CC1	REAL300012716861	0	57	0.0	-86.21	430.34	7.68	-78.53
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCC3)C=N2)CC1	REAL300012716862	0	56	0.0	-82.09	423.16	6.82	-75.27
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716863	0	53	0.0	-81.79	416.56	4.64	-77.15
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716864	0	53	0.0	-88.53	409.71	7.07	-81.46
C[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C=N2)CC1	REAL300012716865	0	56	0.0	-68.66	443.62	10.16	-58.50
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])C=N2)CC1	REAL300012716866	0	56	0.0	-66.51	425.28	8.04	-58.47
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(F)(F)CC3C(=O)[O-])C=N2)CC1	REAL300012716867	0	53	0.0	-87.52	407.58	8.40	-79.12
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])C=N2)CC1	REAL300012716868	0	50	0.0	-89.82	397.13	7.38	-82.44
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C=N2)CC1	REAL300012716869	0	53	0.0	-79.46	414.64	7.91	-71.55
C[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=N2)CC1	REAL300012716870	0	57	0.0	-89.58	424.19	8.34	-81.24
COCCCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716871	0	56	0.0	-80.21	441.87	5.16	-75.05
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716872	0	55	0.0	-76.09	418.58	8.26	-67.83
CCOCC(NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300012716873	0	53	0.0	-82.32	419.92	4.53	-77.79
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=N2)CC1	REAL300012716874	0	58	0.0	-80.69	437.53	7.73	-72.96
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(C(=O)[O-])C3CCCCO3)C=N2)CC1	REAL300012716875	0	57	0.0	-83.57	437.44	5.88	-77.69
C[C@H]1OCCN(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)[C@@H]1C(=O)[O-]	REAL300012716876	0	54	0.0	-87.23	407.43	6.57	-80.66
C[NH+]1CCN(C2=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])C=N2)CC1	REAL300012716877	0	50	0.0	-80.63	407.58	5.82	-74.81
C[NH+]1CCN(C2=CC=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CO3)C=N2)CC1	REAL300012716878	0	53	0.0	-67.55	425.29	8.29	-59.26
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300012716879	0	49	0.0	-75.21	376.66	6.25	-68.96
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)C1	REAL300012716880	0	57	0.0	-84.15	439.73	7.29	-76.86
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC#CC2=CC=CC=C2)CC1	REAL300012717004	0	52	0.0	-60.50	413.65	8.65	-51.85
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC(C2CC2)C2CC2)CC1	REAL300012717443	0	54	0.0	-61.93	408.24	8.08	-53.85
CC(C)C[C@H](NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717524	0	54	0.0	-75.47	403.37	6.24	-69.23
C=CCOCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717525	0	53	0.0	-77.92	417.73	4.65	-73.27
C=CC(C)C(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717526	0	52	0.0	-77.26	396.69	5.73	-71.53
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC(C)O1	REAL300012717527	0	56	0.0	-78.85	415.04	4.72	-74.13
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC(C)O1	REAL300012717528	0	52	0.0	-72.39	419.95	7.05	-65.34
COC1CCN(C(=O)NCCC[NH+]2CC(C)OC(C)C2)C(C(=O)[O-])C1	REAL300012717529	0	56	0.0	-84.99	406.98	6.82	-78.17
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCOC2)CC(C)O1	REAL300012717530	0	56	0.0	-74.40	415.00	4.75	-69.65
CC1CCN(C(=O)NCCC[NH+]2CC(C)OC(C)C2)C(C(=O)[O-])C1	REAL300012717531	0	55	0.0	-84.13	395.52	8.38	-75.75
CC1=CC(C(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])=CC=C1F	REAL300012717532	0	55	0.0	-74.83	434.00	7.63	-67.20
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC(C)O1	REAL300012717533	0	57	0.0	-78.05	443.18	6.78	-71.27
CC1=CC(C)=CC(C(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])=C1	REAL300012717534	0	58	0.0	-78.27	450.12	8.25	-70.02
CC1=CC=C(C(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])C=C1C	REAL300012717535	0	58	0.0	-78.18	445.07	8.16	-70.02
CC1=CC=CC(C(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])=C1C	REAL300012717536	0	58	0.0	-78.18	437.28	7.97	-70.21
COC1=CC=C(C(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])C=C1F	REAL300012717537	0	56	0.0	-75.15	442.37	6.33	-68.82
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717538	0	51	0.0	-62.07	390.55	7.42	-54.65
CC(C(=O)[O-])N(C(=O)NCCC[NH+]1CC(C)OC(C)C1)C1CCC1	REAL300012717539	0	55	0.0	-64.68	402.88	7.72	-56.96
CCCN(C(=O)NCCC[NH+]1CC(C)OC(C)C1)C(COC)C(=O)[O-]	REAL300012717540	0	58	0.0	-79.17	432.52	8.42	-70.75
CCCN(C(=O)NCCC[NH+]1CC(C)OC(C)C1)C(CC)C(=O)[O-]	REAL300012717541	0	57	0.0	-77.83	418.63	9.04	-68.79
CC(C)C(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717542	0	51	0.0	-77.03	388.16	5.44	-71.59
CC1C[NH+](CCCNC(=O)N2CCCCC2C(=O)[O-])CC(C)O1	REAL300012717543	0	52	0.0	-86.28	381.20	8.03	-78.25
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC(C)O1	REAL300012717544	0	52	0.0	-74.48	423.98	7.45	-67.03
CC1C[NH+](CCCNC(=O)N2CCSCC2C(=O)[O-])CC(C)O1	REAL300012717545	0	50	0.0	-82.51	374.83	7.90	-74.61
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCCC2)CC(C)O1	REAL300012717546	0	55	0.0	-79.46	400.63	7.06	-72.40
CC1C[NH+](CCCNC(=O)N2CCCC2C(=O)[O-])CC(C)O1	REAL300012717547	0	49	0.0	-81.47	363.67	6.77	-74.70
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC2)CC(C)O1	REAL300012717548	0	52	0.0	-79.44	386.12	5.97	-73.47
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCCCC2)CC(C)O1	REAL300012717549	0	58	0.0	-80.18	406.29	7.74	-72.44
CC1C[NH+](CCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012717550	0	55	0.0	-77.95	429.54	7.87	-70.08
CC1C[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC(C)O1	REAL300012717551	0	55	0.0	-62.14	428.05	9.67	-52.47
CC1C[NH+](CCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012717552	0	52	0.0	-77.19	407.05	7.01	-70.18
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012717553	0	52	0.0	-78.02	407.25	6.93	-71.09
CCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717554	0	48	0.0	-76.59	371.12	4.86	-71.73
CC(C)C(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717555	0	51	0.0	-77.03	388.16	5.44	-71.59
CC1C[NH+](CCCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012717556	0	55	0.0	-77.95	429.54	7.87	-70.08
CCC(C)C(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717557	0	54	0.0	-77.52	402.36	5.82	-71.70
CC1C[NH+](CCCNC(=O)N2CCCCC2C(=O)[O-])CC(C)O1	REAL300012717558	0	52	0.0	-86.28	381.20	8.03	-78.25
CCCC(C)(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717559	0	54	0.0	-76.17	396.75	5.98	-70.19
CC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717560	0	51	0.0	-63.02	379.17	6.95	-56.07
CC1C[NH+](CCCNC(=O)N(CC(=O)[O-])C2CC2)CC(C)O1	REAL300012717561	0	49	0.0	-62.50	366.10	7.19	-55.31
C=CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717562	0	49	0.0	-61.84	381.86	7.23	-54.61
CC(C)CN(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717563	0	54	0.0	-61.42	404.96	7.73	-53.69
CC1C[NH+](CCCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC(C)O1	REAL300012717564	0	56	0.0	-84.83	412.61	9.92	-74.91
CC1C[NH+](CCCNC(=O)NC(C)(C)C(=O)[O-])CC(C)O1	REAL300012717565	0	48	0.0	-65.90	361.86	4.24	-61.66
CC1C[NH+](CCCNC(=O)NC(C)(C(=O)[O-])C2CC2)CC(C)O1	REAL300012717566	0	52	0.0	-77.27	384.75	5.97	-71.30
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC(C)O1	REAL300012717567	0	49	0.0	-75.59	398.91	6.01	-69.58
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCCC2)CC(C)O1	REAL300012717568	0	55	0.0	-79.46	400.63	7.06	-72.40
CC1C[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC(C)O1	REAL300012717569	0	55	0.0	-59.86	444.77	10.19	-49.67
CC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717570	0	51	0.0	-63.02	379.17	6.95	-56.07
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717571	0	51	0.0	-62.07	390.55	7.42	-54.65
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717572	0	48	0.0	-75.74	369.05	6.67	-69.07
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717573	0	54	0.0	-75.80	395.43	5.86	-69.94
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC2)CC(C)O1	REAL300012717574	0	52	0.0	-79.44	386.12	5.97	-73.47
CC1C[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC(C)O1	REAL300012717575	0	55	0.0	-60.05	434.46	9.74	-50.31
CCC(C)(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717576	0	51	0.0	-75.96	375.25	5.22	-70.74
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC(C)O1	REAL300012717577	0	56	0.0	-77.73	419.03	8.11	-69.62
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC(C)O1	REAL300012717578	0	52	0.0	-77.35	417.32	7.09	-70.26
CC1C[NH+](CCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012717579	0	55	0.0	-78.15	415.07	7.71	-70.44
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717580	0	48	0.0	-75.74	369.05	6.67	-69.07
CCCCCCC(C)(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717581	0	63	0.0	-76.31	461.25	8.31	-68.00
CC1C[NH+](CCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012717582	0	58	0.0	-75.47	438.11	9.79	-65.68
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC(C)O1	REAL300012717583	0	52	0.0	-74.48	423.98	7.45	-67.03
CC1C[NH+](CCCNC(=O)N2CCOCC2C(=O)[O-])CC(C)O1	REAL300012717584	0	50	0.0	-81.74	366.17	5.37	-76.37
CC1C[NH+](CCCNC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC(C)O1	REAL300012717585	0	58	0.0	-80.68	403.69	8.39	-72.29
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CC2)CC(C)O1	REAL300012717586	0	49	0.0	-76.50	375.35	5.33	-71.17
CC1C[NH+](CCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC(C)O1	REAL300012717587	0	58	0.0	-63.17	450.45	10.45	-52.72
CC1C[NH+](CCCNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012717588	0	55	0.0	-76.50	418.41	8.81	-67.69
COCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717589	0	52	0.0	-62.64	400.42	5.85	-56.79
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC(C)O1	REAL300012717590	0	56	0.0	-82.00	421.97	7.99	-74.01
CC1C[NH+](CCCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC(C)O1	REAL300012717591	0	49	0.0	-82.03	364.41	6.47	-75.56
CC1C[NH+](CCCNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC(C)O1	REAL300012717592	0	52	0.0	-83.79	374.01	7.74	-76.05
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717593	0	48	0.0	-72.19	361.64	5.81	-66.38
CC1C[NH+](CCCNC(=O)N2CCC[C@H]2C(=O)[O-])CC(C)O1	REAL300012717594	0	49	0.0	-82.12	369.87	6.76	-75.36
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC2)CC(C)O1	REAL300012717595	0	49	0.0	-79.93	366.16	5.56	-74.37
C=CCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717596	0	49	0.0	-76.14	384.43	5.31	-70.83
CC1C[NH+](CCCNC(=O)N2CCCC2(C)C(=O)[O-])CC(C)O1	REAL300012717597	0	52	0.0	-82.41	386.95	7.33	-75.08
CC1C[NH+](CCCNC(=O)N2CCCCCC2C(=O)[O-])CC(C)O1	REAL300012717598	0	55	0.0	-82.44	388.01	8.33	-74.11
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CC2)CC(C)O1	REAL300012717599	0	49	0.0	-76.50	375.35	5.33	-71.17
CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717600	0	48	0.0	-73.15	361.07	5.86	-67.29
CCCCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717601	0	54	0.0	-76.51	414.12	6.41	-70.10
CC1C[NH+](CCCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC(C)O1	REAL300012717602	0	58	0.0	-63.17	450.45	10.45	-52.72
CC1C[NH+](CCCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC(C)O1	REAL300012717603	0	52	0.0	-81.32	380.82	7.30	-74.02
CC1C[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCCC2)CC(C)O1	REAL300012717604	0	55	0.0	-60.00	399.19	8.24	-51.76
COCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717605	0	49	0.0	-77.49	382.49	3.08	-74.41
CCCCCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717606	0	57	0.0	-76.48	435.62	7.19	-69.29
CCC1CCC(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)(C(=O)[O-])CC1	REAL300012717607	0	61	0.0	-78.48	433.50	8.33	-70.15
CC1C[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC(C)O1	REAL300012717608	0	56	0.0	-60.56	407.61	6.57	-53.99
CC1C[NH+](CCCNC(=O)N(C)C2(C(=O)[O-])CCCC2)CC(C)O1	REAL300012717609	0	55	0.0	-82.80	396.56	7.67	-75.13
CC(C(=O)[O-])N(C(=O)NCCC[NH+]1CC(C)OC(C)C1)C1CC1	REAL300012717610	0	52	0.0	-64.95	387.48	7.26	-57.69
CCC(C(=O)[O-])N(C(=O)NCCC[NH+]1CC(C)OC(C)C1)C1CC1	REAL300012717611	0	55	0.0	-75.10	396.87	8.43	-66.67
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC(C)O1	REAL300012717612	0	52	0.0	-79.73	419.18	7.36	-72.37
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC(C)O1	REAL300012717613	0	52	0.0	-83.77	411.70	7.03	-76.74
CC1C[NH+](CCCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC(C)O1	REAL300012717614	0	56	0.0	-64.23	422.19	9.36	-54.87
CC1C[NH+](CCCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC(C)O1	REAL300012717615	0	55	0.0	-80.44	444.72	8.26	-72.18
CC1C[NH+](CCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC(C)O1	REAL300012717616	0	61	0.0	-76.26	445.30	8.07	-68.19
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717617	0	58	0.0	-60.29	440.01	10.25	-50.04
CC1=CC=C(C(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])C=C1	REAL300012717618	0	55	0.0	-78.10	428.66	7.61	-70.49
CC1C[NH+](CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC(C)O1	REAL300012717619	0	48	0.0	-71.01	387.05	5.55	-65.46
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC(C)O1	REAL300012717620	0	58	0.0	-78.74	453.02	9.27	-69.47
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCSCC2)CC(C)O1	REAL300012717621	0	53	0.0	-75.78	398.33	6.76	-69.02
COCC(C)(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717622	0	52	0.0	-80.44	393.50	4.51	-75.93
CCOCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717623	0	55	0.0	-74.57	412.69	6.23	-68.34
CC(C)CN(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717624	0	54	0.0	-61.42	404.96	7.73	-53.69
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717625	0	61	0.0	-59.51	456.11	11.02	-48.49
CC1C[NH+](CCCNC(=O)N(CC(=O)[O-])C2CC2)CC(C)O1	REAL300012717626	0	49	0.0	-62.50	366.10	7.19	-55.31
CC1C[NH+](CCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC(C)O1	REAL300012717627	0	51	0.0	-62.14	408.68	7.80	-54.34
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCOC2)CC(C)O1	REAL300012717628	0	50	0.0	-75.80	376.76	3.35	-72.45
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC(C)O1	REAL300012717629	0	58	0.0	-77.37	424.18	7.14	-70.23
CC1C[NH+](CCCNC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC(C)O1	REAL300012717630	0	59	0.0	-75.44	439.86	7.63	-67.81
CC1C[NH+](CCCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC(C)O1	REAL300012717631	0	59	0.0	-85.23	445.24	11.04	-74.19
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCOCC2)CC(C)O1	REAL300012717632	0	53	0.0	-78.73	392.06	4.57	-74.16
C=CCCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717633	0	52	0.0	-75.47	404.60	6.20	-69.27
CC1C[NH+](CCCNC(=O)NC(CF)C(=O)[O-])CC(C)O1	REAL300012717634	0	45	0.0	-65.09	352.91	3.85	-61.24
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717635	0	58	0.0	-53.98	436.93	10.75	-43.23
CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717636	0	48	0.0	-73.15	361.07	5.86	-67.29
CCC(CC)(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717637	0	54	0.0	-76.63	391.64	6.12	-70.51
COC1=CC=C(C(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])C=C1	REAL300012717638	0	56	0.0	-77.79	436.74	6.23	-71.56
CCC(C)N(CC(=O)[O-])C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717639	0	54	0.0	-59.76	402.36	8.12	-51.64
CCC(COC)(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717640	0	55	0.0	-81.86	410.17	5.41	-76.45
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717641	0	58	0.0	-75.13	432.97	7.00	-68.13
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC(C)O1	REAL300012717642	0	55	0.0	-80.94	417.18	3.06	-77.88
CC1C[NH+](CCCNC(=O)NC(CC2CC2)C(=O)[O-])CC(C)O1	REAL300012717643	0	52	0.0	-76.50	402.72	6.42	-70.08
COCCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717644	0	52	0.0	-76.18	403.96	3.93	-72.25
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717645	0	57	0.0	-74.51	420.29	8.43	-66.08
CC1C[NH+](CCCNC(=O)NC(CC(F)F)C(=O)[O-])CC(C)O1	REAL300012717646	0	48	0.0	-71.91	381.73	5.39	-66.52
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717647	0	58	0.0	-84.09	415.45	9.27	-74.82
CCCN(C(=O)NCCC[NH+]1CC(C)OC(C)C1)C(C)C(=O)[O-]	REAL300012717648	0	54	0.0	-55.44	401.21	8.30	-47.14
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717649	0	58	0.0	-77.62	438.91	10.42	-67.20
CCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012717650	0	58	0.0	-78.48	432.05	8.61	-69.87
COC1CCCC(C(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])C1	REAL300012717651	0	62	0.0	-80.38	450.43	6.14	-74.24
CC1C[NH+](CCCNC(=O)NC(CCF)C(=O)[O-])CC(C)O1	REAL300012717652	0	48	0.0	-74.81	376.88	5.01	-69.80
COC1(CC(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])CCC1	REAL300012717653	0	59	0.0	-77.84	442.61	5.93	-71.91
CC1C[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCOCC2)CC(C)O1	REAL300012717654	0	56	0.0	-60.56	407.61	6.57	-53.99
CC1C[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCCCC2)CC(C)O1	REAL300012717655	0	58	0.0	-61.60	422.77	8.94	-52.66
C[C@H]1CC[C@@](NC(=O)NCCC[NH+]2CC(C)OC(C)C2)(C(=O)[O-])CC1	REAL300012717656	0	58	0.0	-79.64	414.95	7.49	-72.15
COC1=CC=CC(C(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])=C1	REAL300012717657	0	56	0.0	-80.35	436.75	6.22	-74.13
CC1C[NH+](CCCNC(=O)NC(C)(CCF)C(=O)[O-])CC(C)O1	REAL300012717658	0	51	0.0	-73.11	381.85	5.37	-67.74
CC1C[NH+](CCCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC(C)O1	REAL300012717659	0	53	0.0	-65.86	397.83	7.42	-58.44
CC1C[NH+](CCCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC(C)O1	REAL300012717660	0	49	0.0	-76.67	383.63	6.62	-70.05
COC1=CC=CC([C@H](NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])=C1	REAL300012717661	0	56	0.0	-79.82	436.15	6.24	-73.58
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717662	0	48	0.0	-73.15	361.07	5.86	-67.29
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC[NH+]2CC(C)OC(C)C2)C1	REAL300012717663	0	58	0.0	-83.61	429.70	8.64	-74.97
COC1=CC=CC(CC(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])=C1	REAL300012717664	0	59	0.0	-75.62	452.55	7.24	-68.38
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC(C)O1	REAL300012717665	0	61	0.0	-80.03	422.35	7.95	-72.08
CC1C[NH+](CCCNC(=O)N2CC3CC2(C(=O)[O-])C3)CC(C)O1	REAL300012717666	0	50	0.0	-88.09	377.18	7.40	-80.69
COC1CN(C(=O)NCCC[NH+]2CC(C)OC(C)C2)C(C)(C(=O)[O-])C1	REAL300012717667	0	56	0.0	-82.27	420.27	6.30	-75.97
CC1C[NH+](CCCNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC(C)O1	REAL300012717668	0	59	0.0	-74.68	436.07	5.76	-68.92
CC1C[NH+](CCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC(C)O1	REAL300012717669	0	54	0.0	-76.38	400.30	5.98	-70.40
C=C(Cl)CC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717670	0	49	0.0	-76.57	399.55	5.93	-70.64
C=C(C)CC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717671	0	52	0.0	-75.91	404.14	6.07	-69.84
CC1C[NH+](CCCNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC(C)O1	REAL300012717672	0	53	0.0	-90.13	391.66	8.22	-81.91
CC1C[NH+](CCCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC(C)O1	REAL300012717673	0	58	0.0	-75.55	439.08	8.12	-67.43
CC1C[NH+](CCCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC(C)O1	REAL300012717674	0	49	0.0	-75.66	377.43	6.63	-69.03
CC1C[NH+](CCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC(C)O1	REAL300012717675	0	49	0.0	-79.30	370.16	6.86	-72.44
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CC(C)OC(C)C2)C1	REAL300012717676	0	50	0.0	-81.92	377.83	6.88	-75.04
CC1C[NH+](CCCNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC(C)O1	REAL300012717677	0	59	0.0	-78.24	442.58	5.68	-72.56
CC(C)C[C@H](NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717678	0	54	0.0	-75.47	403.37	6.24	-69.23
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCOCC2)CC(C)O1	REAL300012717679	0	56	0.0	-78.85	415.04	4.72	-74.13
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012717680	0	52	0.0	-78.02	407.25	6.93	-71.09
CC1C[NH+](CCCNC(=O)NC(CC2CC2)C(=O)[O-])CC(C)O1	REAL300012717681	0	52	0.0	-76.50	402.72	6.42	-70.08
CC1C[NH+](CCCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC(C)O1	REAL300012717682	0	51	0.0	-75.28	416.08	5.05	-70.23
CC(C)CCCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717683	0	60	0.0	-75.80	452.35	7.71	-68.09
CC1C[NH+](CCCNC(=O)NC(CC2CCCO2)C(=O)[O-])CC(C)O1	REAL300012717684	0	56	0.0	-79.99	427.06	5.30	-74.69
CSCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717685	0	49	0.0	-73.22	393.91	5.30	-67.92
COC[C@H](NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717686	0	49	0.0	-76.44	376.30	3.10	-73.34
CC[C@H](NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717687	0	48	0.0	-75.62	364.91	4.87	-70.75
CC1C[NH+](CCCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC(C)O1	REAL300012717688	0	55	0.0	-75.34	435.71	8.00	-67.34
CCC(C)CC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717689	0	57	0.0	-76.18	427.22	6.83	-69.35
C=CCCCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717690	0	55	0.0	-75.32	426.10	6.98	-68.34
CC1C[NH+](CCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC(C)O1	REAL300012717691	0	55	0.0	-76.16	435.90	7.95	-68.21
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC(C)O1	REAL300012717692	0	58	0.0	-74.47	447.49	9.33	-65.14
CC1C[NH+](CCCNC(=O)N2CCSCC2C(=O)[O-])CC(C)O1	REAL300012717693	0	50	0.0	-82.51	374.83	7.90	-74.61
CC1C[NH+](CCCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012717694	0	55	0.0	-78.15	415.07	7.71	-70.44
CC1C[NH+](CCCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC(C)O1	REAL300012717695	0	49	0.0	-82.03	364.41	6.47	-75.56
CCCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717696	0	51	0.0	-75.89	391.78	5.63	-70.26
CC(C)[C@@H](NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717697	0	51	0.0	-75.75	377.02	5.19	-70.56
CC1C[NH+](CCCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC(C)O1	REAL300012717698	0	53	0.0	-88.31	391.92	8.37	-79.94
CCN(C(=O)NCCC[NH+]1CC(C)OC(C)C1)C(C)(C)C(=O)[O-]	REAL300012717699	0	54	0.0	-78.84	395.84	7.63	-71.21
CCCN(C(=O)NCCC[NH+]1CC(C)OC(C)C1)C(C)C(=O)[O-]	REAL300012717700	0	54	0.0	-55.44	401.21	8.30	-47.14
CC1C[NH+](CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC(C)O1	REAL300012717701	0	48	0.0	-71.64	383.66	7.18	-64.46
CC1C[NH+](CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC(C)O1	REAL300012717702	0	48	0.0	-71.64	383.66	7.18	-64.46
CC1C[NH+](CCCNC(=O)N(C)C(C)(C)C(=O)[O-])CC(C)O1	REAL300012717703	0	51	0.0	-78.91	376.25	6.76	-72.15
CC1C[NH+](CCCNC(=O)N2CCC[C@H]2C(=O)[O-])CC(C)O1	REAL300012717704	0	49	0.0	-82.12	369.87	6.76	-75.36
CC1C[NH+](CCCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC(C)O1	REAL300012717705	0	61	0.0	-62.91	457.38	5.14	-57.77
CC1C[NH+](CCCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC(C)O1	REAL300012717706	0	50	0.0	-83.72	375.68	3.07	-80.65
CC1CN(CCCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC(C)O1	REAL300012717707	1	65	0.0	-59.19	473.71	5.20	-53.99
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717708	0	56	0.0	-60.70	425.08	9.59	-51.11
CC1C[NH+](CCCNC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC(C)O1	REAL300012717709	0	59	0.0	-64.51	428.00	9.90	-54.61
CCC[C@@H](NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717710	0	51	0.0	-75.60	392.38	5.68	-69.92
CC1C[NH+](CCCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC(C)O1	REAL300012717711	0	57	0.0	-75.26	420.87	8.09	-67.17
CC1C[NH+](CCCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012717712	0	52	0.0	-77.19	407.05	7.01	-70.18
CC1C[NH+](CCCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC(C)O1	REAL300012717713	0	57	0.0	-78.10	447.40	6.88	-71.22
C=CCCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717714	0	52	0.0	-75.47	404.60	6.20	-69.27
CC1C[NH+](CCCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC(C)O1	REAL300012717715	0	51	0.0	-79.33	416.06	4.87	-74.46
CC1C[NH+](CCCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC(C)O1	REAL300012717716	0	52	0.0	-92.83	400.37	4.33	-88.50
CC1C[NH+](CCCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC(C)O1	REAL300012717717	0	53	0.0	-76.44	391.94	6.03	-70.41
CC1C[NH+](CCCNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC(C)O1	REAL300012717718	0	52	0.0	-81.18	380.77	7.34	-73.84
CC(C)[C@H](NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717719	0	51	0.0	-75.67	382.24	5.16	-70.51
CC1C[NH+](CCCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300012717720	0	52	0.0	-78.02	407.25	6.93	-71.09
CC1C[NH+](CCCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC(C)O1	REAL300012717721	0	55	0.0	-76.88	421.09	6.29	-70.59
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717722	0	48	0.0	-73.15	361.07	5.86	-67.29
CCC[C@H](NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717723	0	51	0.0	-76.53	392.62	5.63	-70.90
CCN(C(=O)NCCC[NH+]1CC(C)OC(C)C1)C(C)C(=O)[O-]	REAL300012717724	0	51	0.0	-72.77	378.82	6.70	-66.07
CC1C[NH+](CCCNC(=O)N(CC(=O)[O-])C2CCCC2)CC(C)O1	REAL300012717725	0	55	0.0	-60.00	399.19	8.24	-51.76
CC(CN(C)C(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717726	0	51	0.0	-77.29	381.47	6.33	-70.96
CC[C@H](C)[C@H](NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717727	0	54	0.0	-75.80	395.43	5.86	-69.94
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717728	0	51	0.0	-73.55	381.50	7.00	-66.55
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC(C)O1	REAL300012717729	0	53	0.0	-84.58	396.58	2.76	-81.82
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717730	0	61	0.0	-76.42	444.65	6.08	-70.34
CC1CCC(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)(C(=O)[O-])C1	REAL300012717731	0	55	0.0	-78.84	400.98	6.60	-72.24
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC(C)O1	REAL300012717732	0	58	0.0	-79.62	408.85	7.22	-72.40
COCCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717733	0	52	0.0	-76.18	403.96	3.93	-72.25
CC1C[NH+](CCCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012717734	0	58	0.0	-75.47	438.11	9.79	-65.68
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC(C)O1	REAL300012717735	0	55	0.0	-80.65	402.24	7.27	-73.38
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2(C)CC2)CC(C)O1	REAL300012717736	0	52	0.0	-77.68	392.57	6.20	-71.48
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717737	0	61	0.0	-76.72	448.79	6.14	-70.58
CC1C[NH+](CCCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC(C)O1	REAL300012717738	0	50	0.0	-88.36	375.68	3.25	-85.11
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCOC2)CC(C)O1	REAL300012717739	0	53	0.0	-75.10	403.34	3.91	-71.19
CC1C[NH+](CCCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC(C)O1	REAL300012717740	0	53	0.0	-86.79	391.84	7.90	-78.89
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC(C)O1	REAL300012717741	0	56	0.0	-84.38	438.81	7.00	-77.38
CC1C[NH+](CCCNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC(C)O1	REAL300012717742	0	51	0.0	-82.55	378.27	5.59	-76.96
CC1CCC(C(=O)[O-])N(C(=O)NCCC[NH+]2CC(C)OC(C)C2)C1	REAL300012717743	0	55	0.0	-84.75	395.84	8.62	-76.13
CC(C1=CC=CC=C1)C(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717744	0	58	0.0	-75.99	443.53	8.18	-67.81
CC1C[NH+](CCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC(C)O1	REAL300012717745	0	59	0.0	-76.18	439.33	8.66	-67.52
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCC2)CC(C)O1	REAL300012717746	0	52	0.0	-76.41	390.78	5.82	-70.59
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC(C)O1	REAL300012717747	0	65	0.0	-78.32	464.51	7.61	-70.71
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCCC2)CC(C)O1	REAL300012717748	0	58	0.0	-77.37	424.18	7.14	-70.23
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCC2)CC(C)O1	REAL300012717749	0	52	0.0	-76.41	390.78	5.82	-70.59
CC1CCN(C(=O)NCCC[NH+]2CC(C)OC(C)C2)C1C(=O)[O-]	REAL300012717750	0	52	0.0	-82.93	385.04	7.07	-75.86
C=CCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717751	0	49	0.0	-76.14	384.43	5.31	-70.83
CC1C[NH+](CCCNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC(C)O1	REAL300012717752	0	59	0.0	-79.64	444.49	6.05	-73.59
CC1C[NH+](CCCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC(C)O1	REAL300012717753	0	59	0.0	-51.67	414.80	8.69	-42.98
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC(C)O1	REAL300012717754	0	59	0.0	-79.01	414.96	5.88	-73.13
CC1=CC=CC2=C1CCN(C(=O)NCCC[NH+]1CC(C)OC(C)C1)C2C(=O)[O-]	REAL300012717755	0	59	0.0	-66.82	439.62	9.90	-56.92
CC1C[NH+](CCCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC(C)O1	REAL300012717756	0	53	0.0	-57.87	393.42	7.83	-50.04
CC1C[NH+](CCCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC(C)O1	REAL300012717757	0	59	0.0	-76.18	439.33	8.66	-67.52
CC1C[NH+](CCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC(C)O1	REAL300012717758	0	55	0.0	-79.44	435.96	7.94	-71.50
COC1CC(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)(C(=O)[O-])C1	REAL300012717759	0	53	0.0	-82.03	399.50	4.54	-77.49
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC(C)O1	REAL300012717760	0	49	0.0	-77.85	374.47	5.60	-72.25
CO[C@H]1C[C@](NC(=O)NCCC[NH+]2CC(C)OC(C)C2)(C(=O)[O-])C1	REAL300012717761	0	53	0.0	-77.40	398.35	4.81	-72.59
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC(C)O1	REAL300012717762	0	52	0.0	-79.05	411.23	6.61	-72.44
CCC1(C(=O)[O-])CCCN1C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717763	0	55	0.0	-81.69	396.57	8.47	-73.22
CC1C[NH+](CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC(C)O1	REAL300012717764	0	48	0.0	-71.01	387.05	5.55	-65.46
CC1C[NH+](CCCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC(C)O1	REAL300012717765	0	56	0.0	-78.59	424.92	4.86	-73.73
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])COC2)CC(C)O1	REAL300012717766	0	47	0.0	-74.49	363.07	2.61	-71.88
CC1C[NH+](CCCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC(C)O1	REAL300012717767	0	52	0.0	-77.87	421.42	6.93	-70.94
COCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012717768	0	59	0.0	-76.81	448.26	6.93	-69.88
CC(C)C(C)(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717769	0	54	0.0	-76.63	390.18	5.85	-70.78
CC1C[NH+](CCCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC(C)O1	REAL300012717770	0	50	0.0	-84.55	369.73	7.90	-76.65
CC1C[NH+](CCCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC(C)O1	REAL300012717771	0	53	0.0	-84.39	393.63	7.56	-76.83
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717772	0	58	0.0	-77.62	438.91	10.42	-67.20
CC1C[NH+](CCCNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC(C)O1	REAL300012717773	0	61	0.0	-76.26	445.30	8.07	-68.19
CC1C[NH+](CCCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012717774	0	58	0.0	-76.65	446.32	8.65	-68.00
CC1C[NH+](CCCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012717775	0	58	0.0	-77.12	452.52	8.64	-68.48
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC(C)O1	REAL300012717776	0	59	0.0	-77.13	431.56	7.52	-69.61
CC1C[NH+](CCCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC(C)O1	REAL300012717777	0	61	0.0	-76.01	445.26	8.07	-67.94
CC1C[NH+](CCCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC(C)O1	REAL300012717778	0	61	0.0	-76.26	445.29	8.06	-68.20
CC1C[NH+](CCCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC(C)O1	REAL300012717779	0	59	0.0	-57.92	432.54	8.69	-49.23
CC1C[NH+](CCCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC(C)O1	REAL300012717780	0	59	0.0	-84.95	427.42	8.53	-76.42
COC1=CC=C(CC(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])C=C1	REAL300012717781	0	59	0.0	-78.35	458.80	7.23	-71.12
C=CCSCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717782	0	53	0.0	-74.00	428.86	6.73	-67.27
CC1C[NH+](CCCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC(C)O1	REAL300012717783	0	56	0.0	-76.63	450.16	8.32	-68.31
CCC(C(=O)[O-])N(CC)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717784	0	54	0.0	-78.12	397.84	8.30	-69.82
COC1(C(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])CCC1	REAL300012717785	0	56	0.0	-73.48	418.71	4.52	-68.96
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC(C)O1	REAL300012717786	0	58	0.0	-79.67	426.83	7.91	-71.76
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC(C)O1	REAL300012717787	0	59	0.0	-79.46	432.35	9.00	-70.46
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC(C)O1	REAL300012717788	0	52	0.0	-75.46	399.99	6.47	-68.99
CC(C)C1=CC=C(C(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])C=C1	REAL300012717790	0	61	0.0	-76.71	467.28	8.94	-67.77
CC1C[NH+](CCCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC(C)O1	REAL300012717791	0	49	0.0	-79.30	370.16	6.86	-72.44
CC1C[NH+](CCCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC(C)O1	REAL300012717792	0	51	0.0	-57.89	385.95	7.60	-50.29
CC1C[NH+](CCCNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC(C)O1	REAL300012717793	0	55	0.0	-83.22	399.81	7.42	-75.80
CCOC1=CC=C(C(NC(=O)NCCC[NH+]2CC(C)OC(C)C2)C(=O)[O-])C=C1	REAL300012717794	0	59	0.0	-77.59	458.60	7.16	-70.43
CC1C[NH+](CCCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC(C)O1	REAL300012717795	0	59	0.0	-83.91	420.21	9.45	-74.46
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC(C)O1	REAL300012717796	0	59	0.0	-76.53	443.42	9.00	-67.53
CC1C[NH+](CCCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012717797	0	59	0.0	-82.36	449.71	7.98	-74.38
CC1C[NH+](CCCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC(C)O1	REAL300012717798	0	55	0.0	-80.84	443.50	7.87	-72.97
CC(C)CCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717799	0	57	0.0	-75.97	430.85	6.93	-69.04
CC1C[NH+](CCCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC(C)O1	REAL300012717800	0	56	0.0	-56.62	410.55	8.26	-48.36
CC1C[NH+](CCCNC(=O)NC(CC2CCOC2)C(=O)[O-])CC(C)O1	REAL300012717801	0	56	0.0	-78.59	424.92	4.86	-73.73
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CC(C)OC(C)C2)C1	REAL300012717802	0	53	0.0	-79.70	406.95	7.97	-71.73
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC(C)O1	REAL300012717803	0	56	0.0	-82.10	406.48	7.70	-74.40
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC3CC32)CC(C)O1	REAL300012717804	0	53	0.0	-81.80	393.61	6.80	-75.00
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC(C)O1	REAL300012717805	0	56	0.0	-78.80	408.56	7.21	-71.59
CC1C[NH+](CCCNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC(C)O1	REAL300012717806	0	58	0.0	-75.47	438.11	9.79	-65.68
CC1C[NH+](CCCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC(C)O1	REAL300012717807	0	62	0.0	-56.85	445.80	9.23	-47.62
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCC2)CC(C)O1	REAL300012717808	0	55	0.0	-76.69	407.28	6.44	-70.25
CO[C@H](C)[C@H](NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717809	0	52	0.0	-77.80	401.12	4.10	-73.70
CC1[C@@H](C)[C@@]1(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717810	0	52	0.0	-81.77	387.41	6.56	-75.21
CC1C[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC(C)O1	REAL300012717811	0	55	0.0	-62.14	428.05	9.67	-52.47
CC1C[NH+](CCCNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC(C)O1	REAL300012717812	0	55	0.0	-56.74	403.53	7.58	-49.16
CC1C[NH+](CCCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC(C)O1	REAL300012717813	0	52	0.0	-82.09	385.88	7.93	-74.16
CC1C[NH+](CCCNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC(C)O1	REAL300012717814	0	49	0.0	-85.16	375.35	6.91	-78.25
CC1C[NH+](CCCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC(C)O1	REAL300012717815	0	55	0.0	-79.44	435.96	7.94	-71.50
CC1C[NH+](CCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC(C)O1	REAL300012717816	0	52	0.0	-75.46	414.18	6.82	-68.64
CC1C[NH+](CCCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC(C)O1	REAL300012717817	0	52	0.0	-75.69	399.06	7.44	-68.25
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC(C)O1	REAL300012717818	0	56	0.0	-79.54	428.10	7.61	-71.93
CC1C[NH+](CCCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC(C)O1	REAL300012717819	0	52	0.0	-75.46	414.18	6.82	-68.64
CC1C[NH+](CCCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC(C)O1	REAL300012717820	0	56	0.0	-84.89	408.20	7.89	-77.00
COCCCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717821	0	55	0.0	-75.27	425.46	4.70	-70.57
CCCC(C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717822	0	54	0.0	-74.13	403.04	7.62	-66.51
CCOCC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300012717823	0	52	0.0	-78.37	404.83	4.08	-74.29
CC1C[NH+](CCCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC(C)O1	REAL300012717824	0	57	0.0	-76.23	421.71	7.31	-68.92
CC1C[NH+](CCCNC(=O)NC(C(=O)[O-])C2CCCCO2)CC(C)O1	REAL300012717825	0	56	0.0	-79.06	421.87	5.40	-73.66
CC1C[NH+](CCCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC(C)O1	REAL300012717826	0	56	0.0	-77.73	419.03	8.11	-69.62
CC1C[NH+](CCCNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC(C)O1	REAL300012717827	0	53	0.0	-81.78	385.68	6.02	-75.76
CC1C[NH+](CCCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC(C)O1	REAL300012717828	0	55	0.0	-77.22	406.46	7.76	-69.46
CC1C[NH+](CCCNC(=O)NC(CCC#N)C(=O)[O-])CC(C)O1	REAL300012717829	0	49	0.0	-77.97	391.96	5.37	-72.60
CC1C[NH+](CCCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC(C)O1	REAL300012717830	0	52	0.0	-63.09	409.71	7.81	-55.28
CC1C[NH+](CCCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC(C)O1	REAL300012717831	0	63	0.0	-83.23	436.98	8.36	-74.87
CC1C[NH+](CCCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC(C)O1	REAL300012717832	0	54	0.0	-77.22	440.53	6.54	-70.68
C[C@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300012717833	0	48	0.0	-72.19	361.64	5.81	-66.38
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC[NH+]2CC(C)OC(C)C2)C1	REAL300012717834	0	56	0.0	-82.37	419.50	6.44	-75.93
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717835	0	53	0.0	-72.77	393.14	7.80	-64.97
C=CCOCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717836	0	52	0.0	-72.80	401.14	6.30	-66.50
C=CC(C)C(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717837	0	51	0.0	-71.64	380.10	7.38	-64.26
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012717838	0	55	0.0	-71.10	401.67	6.49	-64.61
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012717839	0	51	0.0	-66.09	403.20	8.76	-57.33
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012717840	0	51	0.0	-66.45	413.34	9.13	-57.32
COC1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)C(C(=O)[O-])C1	REAL300012717841	0	55	0.0	-81.75	395.21	8.80	-72.95
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012717842	0	55	0.0	-70.16	398.65	6.40	-63.76
CC(C)C[NH+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012717843	0	54	0.0	-80.99	385.41	10.28	-70.71
CC1=CC(C(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])=CC=C1F	REAL300012717844	0	54	0.0	-68.83	417.43	9.26	-59.57
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012717845	0	56	0.0	-72.41	426.26	8.48	-63.93
CC1=CC(C)=CC(C(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])=C1	REAL300012717846	0	57	0.0	-73.98	433.43	9.88	-64.10
CC1=CC=C(C(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])C=C1C	REAL300012717847	0	57	0.0	-72.47	428.92	9.84	-62.63
COC1=CC=C(C(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])C=C1Cl	REAL300012717848	0	55	0.0	-69.75	436.23	8.44	-61.31
CC1=CC=CC(C(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])=C1C	REAL300012717849	0	57	0.0	-71.12	419.65	9.58	-61.54
COC1=CC=C(C(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])C=C1F	REAL300012717850	0	55	0.0	-70.08	426.42	7.95	-62.13
CC(C)C[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012717851	0	54	0.0	-52.81	379.73	10.09	-42.72
CCCN(C(=O)NC1CC[NH+](CC(C)C)CC1)C(COC)C(=O)[O-]	REAL300012717852	0	57	0.0	-72.92	416.84	9.96	-62.96
CCCN(C(=O)NC1CC[NH+](CC(C)C)CC1)C(CC)C(=O)[O-]	REAL300012717853	0	56	0.0	-68.29	400.73	10.05	-58.24
CC(C)C[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012717854	0	51	0.0	-80.79	364.65	9.70	-71.09
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012717855	0	51	0.0	-68.50	407.31	9.08	-59.42
CC(C)C[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012717856	0	49	0.0	-77.33	364.15	9.40	-67.93
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012717857	0	54	0.0	-74.24	384.27	8.71	-65.53
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012717858	0	51	0.0	-74.30	369.56	7.58	-66.72
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012717859	0	57	0.0	-74.74	389.93	9.38	-65.36
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012717860	0	54	0.0	-73.49	412.87	9.50	-63.99
CC(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012717861	0	54	0.0	-59.98	411.45	11.33	-48.65
CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012717862	0	51	0.0	-72.63	390.69	8.65	-63.98
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012717863	0	51	0.0	-73.26	390.63	8.55	-64.71
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012717864	0	54	0.0	-73.49	412.87	9.50	-63.99
CCC(C)C(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717865	0	53	0.0	-71.47	384.14	7.43	-64.04
CC(C)C[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012717866	0	51	0.0	-80.79	364.65	9.70	-71.09
CCCC(C)(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717867	0	53	0.0	-69.35	380.20	7.61	-61.74
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC(C)C)CC1	REAL300012717868	0	53	0.0	-59.83	388.61	9.60	-50.23
CC(C)C[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012717869	0	55	0.0	-79.34	402.33	11.54	-67.80
CC(C)C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012717870	0	51	0.0	-72.33	368.02	7.61	-64.72
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012717871	0	48	0.0	-71.03	381.98	7.72	-63.31
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012717872	0	54	0.0	-74.24	384.27	8.71	-65.53
CC(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012717873	0	54	0.0	-55.94	428.10	11.83	-44.11
CC(C)C[NH+]1CCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012717874	0	58	0.0	-74.44	441.65	9.63	-64.81
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717875	0	53	0.0	-73.34	385.67	7.45	-65.89
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012717876	0	51	0.0	-74.30	369.56	7.58	-66.72
CC(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012717877	0	54	0.0	-56.10	417.79	11.38	-44.72
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012717878	0	55	0.0	-74.50	410.05	9.86	-64.64
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012717879	0	51	0.0	-71.99	401.57	8.74	-63.25
CC(C)C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012717880	0	54	0.0	-72.81	398.38	9.36	-63.45
CCCCCCC(C)(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717881	0	62	0.0	-69.52	444.69	9.94	-59.58
CC(C)C[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012717882	0	57	0.0	-70.00	422.03	11.55	-58.45
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012717883	0	51	0.0	-68.50	407.31	9.08	-59.42
CC(C)C[NH+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012717884	0	49	0.0	-76.84	355.38	6.96	-69.88
CC(C)C[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012717885	0	57	0.0	-77.03	393.34	10.00	-67.03
CC(C)C[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012717886	0	57	0.0	-59.03	433.78	12.09	-46.94
CC(C)C[NH+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012717887	0	54	0.0	-74.67	399.40	10.55	-64.12
COCCN(CC(=O)[O-])C(=O)NC1CC[NH+](CC(C)C)CC1	REAL300012717888	0	51	0.0	-60.77	383.87	7.48	-53.29
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012717889	0	55	0.0	-76.39	405.51	9.65	-66.74
CC(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012717890	0	51	0.0	-78.89	364.37	9.42	-69.47
CC(C)C[NH+]1CCC(NC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012717891	0	51	0.0	-77.62	370.28	8.93	-68.69
CC(C)C[NH+]1CCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012717892	0	58	0.0	-79.18	446.52	9.50	-69.68
CC(C)C[NH+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012717893	0	54	0.0	-79.76	377.35	10.07	-69.69
CCCCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717894	0	53	0.0	-71.72	397.53	8.04	-63.68
CC(C)C[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012717895	0	57	0.0	-59.03	433.78	12.09	-46.94
CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012717896	0	51	0.0	-77.59	370.28	8.92	-68.67
CC(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012717897	0	54	0.0	-56.80	382.79	9.62	-47.18
COCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717898	0	48	0.0	-72.94	365.90	4.74	-68.20
CCCCCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717899	0	56	0.0	-69.90	418.82	8.87	-61.03
CCC1CCC(NC(=O)NC2CC[NH+](CC(C)C)CC2)(C(=O)[O-])CC1	REAL300012717900	0	60	0.0	-75.23	423.01	9.94	-65.29
CC(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012717901	0	55	0.0	-59.51	397.15	8.20	-51.31
CC(C)C[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012717902	0	54	0.0	-77.79	380.31	9.29	-68.50
CC(C)C[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012717903	0	51	0.0	-59.97	371.96	9.11	-50.86
CCC(C(=O)[O-])N(C(=O)NC1CC[NH+](CC(C)C)CC1)C1CC1	REAL300012717904	0	54	0.0	-60.39	392.25	10.16	-50.23
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012717905	0	51	0.0	-74.40	400.72	8.98	-65.42
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012717906	0	51	0.0	-78.06	394.19	8.66	-69.40
CC(C)C[NH+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012717907	0	55	0.0	-61.97	406.08	11.03	-50.94
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012717908	0	54	0.0	-76.07	427.71	9.75	-66.32
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012717909	0	60	0.0	-76.17	456.29	11.63	-64.54
CC(C)C[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012717910	0	60	0.0	-73.08	434.77	9.69	-63.39
CC(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012717911	0	57	0.0	-58.73	423.67	11.92	-46.81
CC1=CC=C(C(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])C=C1	REAL300012717912	0	54	0.0	-72.88	411.76	9.32	-63.56
CC(C)C[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012717913	0	47	0.0	-64.72	370.25	7.25	-57.47
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012717914	0	57	0.0	-74.26	436.34	10.90	-63.36
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012717915	0	52	0.0	-70.53	381.73	8.40	-62.13
COCC(C)(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717916	0	51	0.0	-73.51	376.94	6.14	-67.37
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC(C)C)CC1	REAL300012717917	0	54	0.0	-68.95	397.09	7.96	-60.99
CC(C)CN(CC(=O)[O-])C(=O)NC1CC[NH+](CC(C)C)CC1	REAL300012717918	0	53	0.0	-59.83	388.61	9.60	-50.23
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC(C)C)CC1	REAL300012717919	0	60	0.0	-59.38	436.33	12.60	-46.78
CC(C)C[NH+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012717920	0	50	0.0	-59.85	392.09	9.46	-50.39
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012717921	0	49	0.0	-71.10	360.08	4.99	-66.11
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012717922	0	57	0.0	-73.79	408.19	8.69	-65.10
CC(C)C[NH+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012717923	0	58	0.0	-71.59	423.73	9.24	-62.35
CC(C)C[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012717924	0	58	0.0	-79.23	428.59	12.66	-66.57
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012717925	0	52	0.0	-73.68	375.49	6.20	-67.48
C=CCCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717926	0	51	0.0	-70.27	388.87	7.81	-62.46
CC(C)C[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012717927	0	57	0.0	-51.31	420.58	12.38	-38.93
CCC(CC)(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717928	0	53	0.0	-70.18	375.05	7.76	-62.42
COC1=CC=C(C(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])C=C1	REAL300012717929	0	55	0.0	-71.19	419.47	7.88	-63.31
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](CC(C)C)CC1	REAL300012717930	0	53	0.0	-59.36	383.22	9.63	-49.73
CCC(COC)(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717931	0	54	0.0	-74.69	393.35	7.07	-67.62
CC(C)C[NH+]1CCC(NC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012717932	0	57	0.0	-69.51	416.85	8.60	-60.91
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012717933	0	54	0.0	-75.51	400.57	4.70	-70.81
CC(C)C[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012717934	0	51	0.0	-71.03	385.30	8.07	-62.96
COCCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717935	0	51	0.0	-70.76	388.20	5.57	-65.19
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC(C)C)CC1	REAL300012717936	0	56	0.0	-68.79	403.87	10.12	-58.67
CC(C)C[NH+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012717937	0	47	0.0	-70.54	366.04	6.81	-63.73
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC(C)C)CC1	REAL300012717938	0	57	0.0	-80.35	404.95	10.90	-69.45
CCCN(C(=O)NC1CC[NH+](CC(C)C)CC1)C(C)C(=O)[O-]	REAL300012717939	0	53	0.0	-54.89	385.07	9.88	-45.01
CC(C)C[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012717940	0	57	0.0	-76.58	421.32	12.16	-64.42
CCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012717941	0	57	0.0	-70.97	432.02	10.72	-60.25
CCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012717942	0	57	0.0	-73.56	415.38	10.23	-63.33
COC1CCCC(C(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])C1	REAL300012717943	0	61	0.0	-77.44	440.61	7.69	-69.75
CC(C)C[NH+]1CCC(NC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012717944	0	47	0.0	-69.33	361.12	6.65	-62.68
COC1(CC(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])CCC1	REAL300012717945	0	58	0.0	-70.83	424.45	7.63	-63.20
CC(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012717946	0	55	0.0	-59.51	397.15	8.20	-51.31
CC(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012717947	0	57	0.0	-58.43	406.09	10.57	-47.86
CC(C)C[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012717948	0	57	0.0	-74.66	397.75	9.07	-65.59
COC1=CC=CC(C(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])=C1	REAL300012717949	0	55	0.0	-74.30	420.24	7.85	-66.45
CC(C)C[NH+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012717950	0	50	0.0	-66.31	365.29	6.99	-59.32
CC(C)C[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012717951	0	52	0.0	-62.93	388.34	9.20	-53.73
CC(C)C[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012717952	0	48	0.0	-72.18	368.50	8.15	-64.03
COC1=CC=CC([C@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])=C1	REAL300012717953	0	55	0.0	-75.91	420.09	7.85	-68.06
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC[NH+](CC(C)C)CC2)C1	REAL300012717954	0	57	0.0	-77.34	420.45	9.43	-67.91
COC1=CC=CC(CC(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])=C1	REAL300012717955	0	58	0.0	-72.60	442.07	8.87	-63.73
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012717956	0	60	0.0	-76.23	411.98	9.61	-66.62
CC(C)C[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012717957	0	49	0.0	-83.02	361.74	8.97	-74.05
CC(C)C[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300012717958	0	57	0.0	-68.45	432.81	10.22	-58.23
CC(C)C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012717959	0	56	0.0	-74.80	426.63	10.04	-64.76
COC1CN(C(=O)NC2CC[NH+](CC(C)C)CC2)C(C)(C(=O)[O-])C1	REAL300012717960	0	55	0.0	-76.99	402.22	7.95	-69.04
CC(C)C[NH+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012717961	0	58	0.0	-71.39	421.60	7.99	-63.40
CC(C)C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012717962	0	53	0.0	-72.12	383.63	7.62	-64.50
C=C(Cl)CC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717963	0	48	0.0	-66.36	382.76	7.69	-58.67
C=C(C)CC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717964	0	51	0.0	-70.92	385.28	7.97	-62.95
CC(C)C[NH+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012717965	0	52	0.0	-84.26	375.34	9.84	-74.42
CC(C)C[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012717966	0	57	0.0	-69.04	422.49	9.77	-59.27
CC(C)C[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012717967	0	48	0.0	-72.82	368.39	8.15	-64.67
CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012717968	0	48	0.0	-76.94	361.98	8.06	-68.88
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC(C)C)CC2)C1	REAL300012717969	0	49	0.0	-79.04	368.74	8.42	-70.62
CC(C)C[NH+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012717970	0	58	0.0	-72.73	421.69	7.98	-64.75
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717971	0	53	0.0	-72.77	393.14	7.80	-64.97
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012717972	0	55	0.0	-71.10	401.67	6.49	-64.61
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012717973	0	51	0.0	-73.26	390.63	8.55	-64.71
CC(C)C[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012717974	0	51	0.0	-71.03	385.30	8.07	-62.96
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012717975	0	50	0.0	-72.29	399.60	6.64	-65.65
CC(C)CCCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717976	0	59	0.0	-69.87	436.35	9.41	-60.46
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012717977	0	57	0.0	-70.97	442.49	9.97	-61.00
CC(C)C[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012717978	0	55	0.0	-74.28	410.47	6.96	-67.32
CSCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717979	0	48	0.0	-69.28	378.03	6.90	-62.38
COC[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717980	0	48	0.0	-73.46	365.82	4.72	-68.74
CC(C)C[NH+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012717981	0	54	0.0	-70.67	419.03	9.63	-61.04
CCC(C)CC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717982	0	56	0.0	-70.31	411.25	8.50	-61.81
C=CCCCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012717983	0	54	0.0	-71.31	410.33	8.61	-62.70
CC(C)C[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012717984	0	54	0.0	-71.01	418.39	9.59	-61.42
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012717985	0	57	0.0	-75.26	430.83	10.74	-64.52
CC(C)C[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012717986	0	49	0.0	-77.33	364.15	9.40	-67.93
CC(C)C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012717987	0	54	0.0	-72.81	398.38	9.36	-63.45
CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012717988	0	52	0.0	-82.37	374.86	9.97	-72.40
CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)C(C)(C)C(=O)[O-]	REAL300012717989	0	53	0.0	-72.28	379.23	9.25	-63.03
CCCN(C(=O)NC1CC[NH+](CC(C)C)CC1)C(C)C(=O)[O-]	REAL300012717990	0	53	0.0	-54.89	385.07	9.88	-45.01
CC(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012717991	0	47	0.0	-66.27	367.07	8.82	-57.45
CC(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012717992	0	47	0.0	-66.27	367.07	8.82	-57.45
CC(C)C[NH+]1CCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012717993	0	60	0.0	-60.71	440.79	6.80	-53.91
CC(C)C[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012717994	0	49	0.0	-79.37	365.34	4.68	-74.69
CC(C)C[NH+]1CCC(NC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012717995	1	64	0.0	-59.27	464.75	6.49	-52.78
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC[NH+](CC(C)C)CC1	REAL300012717996	0	55	0.0	-57.80	407.59	11.25	-46.55
CC(C)C[NH+]1CCC(NC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012717997	0	58	0.0	-62.99	417.75	11.52	-51.47
CC(C)C[NH+]1CCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012717998	0	56	0.0	-72.88	410.34	9.69	-63.19
CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012717999	0	51	0.0	-72.63	390.69	8.65	-63.98
CC(C)C[NH+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012718000	0	56	0.0	-73.11	430.02	8.52	-64.59
C=CCCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012718001	0	51	0.0	-70.27	388.87	7.81	-62.46
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012718002	0	50	0.0	-74.39	399.16	6.56	-67.83
CC(C)C[NH+]1CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012718003	0	51	0.0	-68.94	418.90	8.32	-60.62
CC(C)C[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012718004	0	51	0.0	-86.60	383.63	5.99	-80.61
CC(C)C[NH+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012718005	0	52	0.0	-71.48	380.40	7.44	-64.04
CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012718006	0	51	0.0	-76.77	370.25	8.94	-67.83
CC(C)C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012718007	0	51	0.0	-73.02	389.98	8.59	-64.43
CC(C)C[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012718008	0	54	0.0	-74.04	400.05	7.89	-66.15
CC(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012718009	0	54	0.0	-56.80	382.79	9.62	-47.18
CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012718010	0	53	0.0	-73.34	385.67	7.45	-65.89
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012718011	0	52	0.0	-75.37	387.91	4.47	-70.90
CC(C)C[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012718012	0	60	0.0	-75.12	437.10	7.77	-67.35
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012718013	0	54	0.0	-74.56	390.63	8.20	-66.36
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012718014	0	57	0.0	-75.43	400.10	8.95	-66.48
COCCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012718015	0	51	0.0	-70.76	388.20	5.57	-65.19
CC(C)C[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012718016	0	57	0.0	-70.00	422.03	11.55	-58.45
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012718017	0	54	0.0	-75.83	392.12	8.89	-66.94
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)CC1	REAL300012718018	0	61	0.0	-76.99	439.42	10.93	-66.06
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012718019	0	51	0.0	-72.99	383.14	7.63	-65.36
CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012718020	0	60	0.0	-73.08	438.39	7.75	-65.33
CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012718021	0	49	0.0	-83.14	364.05	4.88	-78.26
CC(C)C[NH+]1CCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012718022	0	59	0.0	-63.09	433.35	12.17	-50.92
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012718023	0	52	0.0	-70.84	388.97	5.62	-65.22
CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012718024	0	52	0.0	-81.67	374.91	9.53	-72.14
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012718025	0	55	0.0	-80.70	422.52	8.63	-72.07
CC(C)C[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012718026	0	50	0.0	-78.03	367.31	7.32	-70.71
CC(C)C[NH+]1CCC(NC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012718027	0	54	0.0	-80.16	385.50	10.28	-69.88
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012718028	0	57	0.0	-71.70	429.60	9.91	-61.79
CC(C)C[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012718029	0	58	0.0	-71.24	422.42	10.36	-60.88
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012718030	0	51	0.0	-71.45	374.66	7.39	-64.06
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012718031	0	64	0.0	-73.32	447.90	9.35	-63.97
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012718032	0	57	0.0	-73.79	408.19	8.69	-65.10
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012718033	0	51	0.0	-71.45	374.66	7.39	-64.06
CC(C)C[NH+]1CCC(NC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012718034	0	51	0.0	-77.89	369.46	8.57	-69.32
CC(C)C[NH+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012718035	0	58	0.0	-71.52	426.67	8.22	-63.30
CC(C)C[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012718036	0	58	0.0	-53.20	400.27	10.23	-42.97
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012718037	0	58	0.0	-74.70	404.46	7.50	-67.20
CC1=CC=CC2=C1CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)C2C(=O)[O-]	REAL300012718038	0	58	0.0	-64.02	423.94	11.46	-52.56
CC(C)C[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012718039	0	52	0.0	-55.68	376.04	9.41	-46.27
CC(C)C[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012718040	0	58	0.0	-71.24	422.42	10.36	-60.88
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012718041	0	54	0.0	-74.09	419.03	9.63	-64.46
COC1CC(NC(=O)NC2CC[NH+](CC(C)C)CC2)(C(=O)[O-])C1	REAL300012718042	0	52	0.0	-77.76	388.93	6.15	-71.61
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012718043	0	48	0.0	-73.39	364.11	7.21	-66.18
CO[C@H]1C[C@](NC(=O)NC2CC[NH+](CC(C)C)CC2)(C(=O)[O-])C1	REAL300012718044	0	52	0.0	-73.01	387.80	6.45	-66.56
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012718045	0	51	0.0	-70.94	395.73	8.08	-62.86
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](CC(C)C)CC1	REAL300012718046	0	54	0.0	-79.75	383.23	9.97	-69.78
CC(C)C[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012718047	0	47	0.0	-64.72	370.25	7.25	-57.47
CC(C)C[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012718048	0	55	0.0	-73.62	409.25	6.58	-67.04
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012718049	0	51	0.0	-72.67	404.86	8.56	-64.11
COCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012718050	0	58	0.0	-72.14	431.59	8.55	-63.59
CC(C)C[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012718051	0	53	0.0	-69.72	373.59	7.50	-62.22
CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012718052	0	49	0.0	-80.61	360.43	9.52	-71.09
CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012718053	0	52	0.0	-78.81	376.57	9.15	-69.66
CC(C)C[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012718054	0	57	0.0	-76.58	421.32	12.16	-64.42
CC(C)C[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012718055	0	60	0.0	-73.08	434.77	9.69	-63.39
CC(C)C[NH+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012718056	0	57	0.0	-72.71	435.00	10.29	-62.42
CC(C)C[NH+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012718057	0	57	0.0	-72.84	435.86	10.27	-62.57
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012718058	0	58	0.0	-73.20	415.80	9.37	-63.83
CC(C)C[NH+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012718059	0	60	0.0	-71.85	434.51	9.76	-62.09
CC(C)C[NH+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012718060	0	60	0.0	-73.10	434.77	9.68	-63.42
CC(C)C[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012718061	0	58	0.0	-55.09	415.11	10.37	-44.72
CC(C)C[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012718062	0	58	0.0	-80.19	411.97	10.09	-70.10
COC1=CC=C(CC(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])C=C1	REAL300012718063	0	58	0.0	-74.21	442.37	8.81	-65.40
C=CCSCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012718064	0	52	0.0	-68.28	412.54	8.29	-59.99
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012718065	0	55	0.0	-72.17	433.70	9.90	-62.27
CCC(C(=O)[O-])N(CC)C(=O)NC1CC[NH+](CC(C)C)CC1	REAL300012718066	0	53	0.0	-70.01	379.59	9.37	-60.64
COC1(C(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])CCC1	REAL300012718067	0	55	0.0	-69.35	401.11	6.14	-63.21
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012718068	0	57	0.0	-72.95	415.57	9.49	-63.46
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012718069	0	58	0.0	-74.90	421.87	10.60	-64.30
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012718070	0	51	0.0	-78.16	387.69	8.02	-70.14
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300012718072	0	63	0.0	-72.43	466.57	10.96	-61.47
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300012718073	0	60	0.0	-72.87	450.82	10.48	-62.39
CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012718074	0	48	0.0	-76.94	361.98	8.06	-68.88
CC(C)C[NH+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012718075	0	50	0.0	-56.87	369.21	9.22	-47.65
CC(C)C[NH+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012718076	0	54	0.0	-78.87	389.46	9.04	-69.83
CCOC1=CC=C(C(NC(=O)NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])C=C1	REAL300012718077	0	58	0.0	-72.82	441.94	8.79	-64.03
CC(C)C[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012718078	0	58	0.0	-78.93	409.78	11.07	-67.86
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012718079	0	58	0.0	-71.89	431.07	10.44	-61.45
CC(C)C[NH+]1CCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012718080	0	58	0.0	-75.38	433.12	9.62	-65.76
CC(C)C[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012718081	0	54	0.0	-76.09	426.82	9.49	-66.60
CC(C)CCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012718082	0	56	0.0	-70.58	415.13	8.55	-62.03
CC(C)C[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012718083	0	55	0.0	-57.04	401.10	9.84	-47.20
CC(C)C[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012718084	0	55	0.0	-73.62	409.25	6.58	-67.04
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC(C)C)CC2)C1	REAL300012718085	0	52	0.0	-75.06	396.61	9.56	-65.50
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012718086	0	55	0.0	-75.01	389.79	9.33	-65.68
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012718087	0	52	0.0	-76.44	377.05	8.42	-68.02
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012718088	0	55	0.0	-76.17	404.29	9.04	-67.13
CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012718089	0	57	0.0	-71.58	423.45	11.56	-60.02
CC(C)C[NH+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012718090	0	61	0.0	-55.28	429.22	10.84	-44.44
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012718091	0	54	0.0	-73.28	397.87	8.18	-65.10
CO[C@H](C)[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012718092	0	51	0.0	-73.81	384.44	5.73	-68.08
CC(C)C[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012718093	0	51	0.0	-73.75	368.72	7.71	-66.04
CC(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012718094	0	54	0.0	-59.98	411.45	11.33	-48.65
CC(C)C[NH+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012718095	0	54	0.0	-55.38	393.10	9.21	-46.17
CC(C)C[NH+]1CCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012718096	0	55	0.0	-59.50	417.55	10.99	-48.51
CC(C)C[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012718097	0	51	0.0	-77.14	375.42	9.49	-67.65
CC(C)C[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012718098	0	48	0.0	-80.37	367.50	8.14	-72.23
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012718099	0	54	0.0	-74.09	419.03	9.63	-64.46
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012718100	0	51	0.0	-72.86	403.66	8.41	-64.45
CC(C)C[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012718101	0	51	0.0	-69.02	382.39	9.05	-59.97
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012718102	0	55	0.0	-75.74	417.61	9.21	-66.53
CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300012718103	0	59	0.0	-77.37	442.43	10.58	-66.79
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012718104	0	51	0.0	-72.86	403.66	8.41	-64.45
CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012718105	0	55	0.0	-79.61	392.07	9.55	-70.06
COCCCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012718106	0	54	0.0	-70.36	408.87	6.36	-64.00
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](CC(C)C)CC1	REAL300012718107	0	53	0.0	-68.09	386.33	9.41	-58.68
CCOCC(NC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300012718108	0	51	0.0	-72.08	388.10	5.76	-66.32
CC(C)C[NH+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012718109	0	56	0.0	-71.08	405.40	8.89	-62.19
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012718110	0	55	0.0	-75.47	405.69	7.04	-68.43
CC(C)C[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012718111	0	55	0.0	-74.50	410.05	9.86	-64.64
CC(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012718112	0	52	0.0	-79.10	375.87	7.99	-71.11
CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012718113	0	54	0.0	-70.53	395.84	9.38	-61.15
CC(C)C[NH+]1CCC(NC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012718114	0	48	0.0	-71.75	375.38	7.01	-64.74
CC(C)C[NH+]1CCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300012718115	0	65	0.0	-77.35	446.99	10.59	-66.76
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012718116	0	57	0.0	-76.22	442.77	9.75	-66.47
CC(C)C[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012718117	0	51	0.0	-60.93	393.03	9.45	-51.48
CC(C)C[NH+]1CCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012718118	0	62	0.0	-77.77	426.89	9.92	-67.85
CC(C)C[NH+]1CCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012718119	0	53	0.0	-68.80	424.59	8.13	-60.67
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](CC(C)C)CC2)C1	REAL300012718120	0	55	0.0	-77.94	408.42	8.35	-69.59
CC(C)C[C@H](NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718335	1	54	0.0	-72.34	389.57	6.48	-65.86
C=CCOCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718336	1	53	0.0	-73.00	396.35	4.95	-68.05
C=CC(C)C(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718337	1	52	0.0	-70.62	374.53	6.06	-64.56
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[NH+]1CCOCC1	REAL300012718338	1	56	0.0	-66.75	391.58	5.02	-61.73
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[NH+]1CCOCC1	REAL300012718339	1	52	0.0	-65.33	399.51	7.45	-57.88
COC1CCN(C(=O)NCC(C(C)C)[NH+]2CCOCC2)C(C(=O)[O-])C1	REAL300012718340	1	56	0.0	-72.95	392.05	6.95	-66.00
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCCOC1)[NH+]1CCOCC1	REAL300012718341	1	56	0.0	-70.93	392.79	5.52	-65.41
CC(C)C(CNC(=O)N1CCC(C)CC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718342	1	55	0.0	-83.18	380.68	8.99	-74.19
CC1=CC(C(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])=CC=C1F	REAL300012718343	1	55	0.0	-62.23	410.30	8.02	-54.21
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)[NH+]1CCOCC1	REAL300012718344	1	57	0.0	-65.76	419.71	7.10	-58.66
CC1=CC(C)=CC(C(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300012718345	1	58	0.0	-66.11	426.65	8.56	-57.55
CC1=CC=C(C(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])C=C1C	REAL300012718346	1	58	0.0	-71.77	425.21	8.53	-63.24
CC1=CC=CC(C(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])=C1C	REAL300012718347	1	58	0.0	-71.81	414.92	9.02	-62.79
COC1=CC=C(C(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])C=C1F	REAL300012718348	1	56	0.0	-66.82	419.53	6.61	-60.21
CCCN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718349	1	51	0.0	-55.26	369.23	7.71	-47.55
CC(C)C(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)[NH+]1CCOCC1	REAL300012718350	1	55	0.0	-36.31	368.31	8.45	-27.86
CCCN(C(=O)NCC(C(C)C)[NH+]1CCOCC1)C(COC)C(=O)[O-]	REAL300012718351	1	58	0.0	-70.18	413.65	8.68	-61.50
CCCN(C(=O)NCC(C(C)C)[NH+]1CCOCC1)C(CC)C(=O)[O-]	REAL300012718352	1	57	0.0	-72.57	396.89	9.33	-63.24
CC(C)C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300012718353	1	51	0.0	-72.58	366.77	5.73	-66.85
CC(C)C(CNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718354	1	52	0.0	-82.97	359.73	8.37	-74.60
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[NH+]1CCOCC1	REAL300012718355	1	52	0.0	-65.19	400.56	7.76	-57.43
CC(C)C(CNC(=O)N1CCSCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718356	1	50	0.0	-74.99	359.77	8.14	-66.85
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCOCC1	REAL300012718357	1	55	0.0	-74.01	379.46	7.41	-66.60
CC(C)C(CNC(=O)N1CCCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718358	1	49	0.0	-69.95	347.33	7.23	-62.72
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCOCC1	REAL300012718359	1	52	0.0	-67.71	363.00	6.39	-61.32
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCCCC1)[NH+]1CCOCC1	REAL300012718360	1	58	0.0	-77.43	385.12	8.08	-69.35
CC(C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718361	1	55	0.0	-74.37	409.25	8.19	-66.18
CC(C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[NH+]1CCOCC1	REAL300012718362	1	55	0.0	-49.12	407.74	9.98	-39.14
CC(C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012718363	1	52	0.0	-71.58	387.05	7.25	-64.33
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012718364	1	52	0.0	-67.71	383.57	7.32	-60.39
CCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718365	1	48	0.0	-71.46	348.90	5.16	-66.30
CC(C)C(CNC(=O)NC(C(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300012718366	1	51	0.0	-72.58	366.77	5.73	-66.85
CC(C)C(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718367	1	55	0.0	-74.37	409.25	8.19	-66.18
CCC(C)C(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718368	1	54	0.0	-71.31	384.72	6.35	-64.96
CC(C)C(CNC(=O)N1CCCCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718369	1	52	0.0	-82.97	359.73	8.37	-74.60
CCCC(C)(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718370	1	54	0.0	-72.09	375.37	6.29	-65.80
CC(C)C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300012718371	1	51	0.0	-71.77	343.64	8.35	-63.42
CC(C)C(CNC(=O)N(CC(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300012718372	1	49	0.0	-54.73	352.34	6.79	-47.94
C=CCN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718373	1	49	0.0	-52.72	356.91	7.53	-45.19
CC(C)CN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718374	1	54	0.0	-54.60	383.63	8.02	-46.58
CC(C)C(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718375	1	56	0.0	-78.80	395.91	10.73	-68.07
CC(C)C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718376	1	48	0.0	-57.49	342.65	4.58	-52.91
CC(C)C(CNC(=O)NC(C)(C(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300012718377	1	52	0.0	-71.78	364.52	6.29	-65.49
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)[NH+]1CCOCC1	REAL300012718378	1	49	0.0	-70.08	378.39	6.40	-63.68
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCOCC1	REAL300012718379	1	55	0.0	-74.01	379.46	7.41	-66.60
CC(C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)[NH+]1CCOCC1	REAL300012718380	1	55	0.0	-50.54	420.60	10.48	-40.06
CC(C)C(CNC(=O)N(CC(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300012718381	1	51	0.0	-71.77	343.64	8.35	-63.42
CCCN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718382	1	51	0.0	-55.26	369.23	7.71	-47.55
CCN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718383	1	48	0.0	-70.08	347.72	6.96	-63.12
CC[C@H](C)[C@H](NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718384	1	54	0.0	-72.91	382.12	6.14	-66.77
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCOCC1	REAL300012718385	1	52	0.0	-67.71	363.00	6.39	-61.32
CC(C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[NH+]1CCOCC1	REAL300012718386	1	55	0.0	-50.79	410.28	10.03	-40.76
CCC(C)(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718387	1	51	0.0	-71.80	353.87	5.53	-66.27
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[NH+]1CCOCC1	REAL300012718388	1	56	0.0	-70.04	402.47	8.93	-61.11
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)[NH+]1CCOCC1	REAL300012718389	1	52	0.0	-70.64	396.51	7.44	-63.20
CC(C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012718390	1	55	0.0	-71.83	394.15	7.96	-63.87
CCN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718391	1	48	0.0	-70.08	347.72	6.96	-63.12
CCCCCCC(C)(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718392	1	63	0.0	-68.16	437.32	8.65	-59.51
CC(C)C(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718393	1	58	0.0	-67.13	415.29	10.64	-56.49
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[NH+]1CCOCC1	REAL300012718394	1	52	0.0	-65.19	400.56	7.76	-57.43
CC(C)C(CNC(=O)N1CCOCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718395	1	50	0.0	-79.36	351.33	5.76	-73.60
CC(C)C(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)[NH+]1CCOCC1	REAL300012718396	1	58	0.0	-75.48	388.14	8.43	-67.05
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300012718397	1	49	0.0	-70.63	355.12	5.66	-64.97
CC(C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[NH+]1CCOCC1	REAL300012718398	1	58	0.0	-46.20	421.81	10.54	-35.66
CC(C)C(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012718399	1	55	0.0	-66.23	392.20	9.40	-56.83
COCCN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718400	1	52	0.0	-55.43	379.10	6.14	-49.29
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)[NH+]1CCOCC1	REAL300012718401	1	56	0.0	-72.99	398.83	8.36	-64.63
CC(C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718402	1	49	0.0	-74.67	348.39	6.91	-67.76
CC(C)C(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718403	1	52	0.0	-81.90	360.22	8.14	-73.76
CC(C)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718404	1	48	0.0	-68.00	338.30	6.69	-61.31
CC(C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718405	1	49	0.0	-78.69	349.07	7.09	-71.60
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCC1)[NH+]1CCOCC1	REAL300012718406	1	49	0.0	-75.53	351.19	5.90	-69.63
C=CCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718407	1	49	0.0	-71.48	363.04	5.59	-65.89
CC(C)C(CNC(=O)N1CCCC1(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718408	1	52	0.0	-76.66	366.77	7.62	-69.04
CC(C)C(CNC(=O)N1CCCCCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718409	1	55	0.0	-73.98	372.25	8.77	-65.21
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300012718410	1	49	0.0	-70.63	355.12	5.66	-64.97
CC(C)C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718411	1	48	0.0	-68.38	339.89	6.21	-62.17
CCCCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718412	1	54	0.0	-72.10	392.73	6.70	-65.40
CC(C)C(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])[NH+]1CCOCC1	REAL300012718413	1	58	0.0	-46.20	421.81	10.54	-35.66
CC(C)C(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718414	1	52	0.0	-76.59	365.71	7.63	-68.96
CC(C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCOCC1	REAL300012718415	1	55	0.0	-47.97	385.14	8.55	-39.42
COCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718416	1	49	0.0	-72.62	361.11	3.38	-69.24
CCCCCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718417	1	57	0.0	-71.42	413.39	7.49	-63.93
CCC1CCC(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)(C(=O)[O-])CC1	REAL300012718418	1	61	0.0	-76.29	418.52	8.66	-67.63
CC(C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[NH+]1CCOCC1	REAL300012718419	1	56	0.0	-54.36	389.96	7.38	-46.98
CC(C)C(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)[NH+]1CCOCC1	REAL300012718420	1	55	0.0	-79.87	376.52	8.23	-71.64
CC(C)C(CNC(=O)N(C(C)C(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300012718421	1	52	0.0	-59.09	366.64	7.44	-51.65
CCC(C(=O)[O-])N(C(=O)NCC(C(C)C)[NH+]1CCOCC1)C1CC1	REAL300012718422	1	55	0.0	-60.42	388.39	8.92	-51.50
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)[NH+]1CCOCC1	REAL300012718423	1	52	0.0	-74.73	398.99	7.68	-67.05
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)[NH+]1CCOCC1	REAL300012718424	1	52	0.0	-74.19	388.22	7.33	-66.86
CC(C)C(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[NH+]1CCOCC1	REAL300012718425	1	56	0.0	-56.99	400.78	9.69	-47.30
CC(C)C(CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])[NH+]1CCOCC1	REAL300012718426	1	55	0.0	-68.76	422.25	8.31	-60.45
CC(C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718427	1	61	0.0	-69.25	428.04	8.41	-60.84
CC(C)C(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012718428	1	58	0.0	-46.61	413.22	10.60	-36.01
CC1=CC=C(C(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012718429	1	55	0.0	-71.08	408.20	8.00	-63.08
CC(C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCOCC1	REAL300012718430	1	48	0.0	-66.14	365.66	5.84	-60.30
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[NH+]1CCOCC1	REAL300012718431	1	58	0.0	-70.60	430.50	10.06	-60.54
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCSCC1)[NH+]1CCOCC1	REAL300012718432	1	53	0.0	-70.41	377.15	7.08	-63.33
COCC(C)(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718433	1	52	0.0	-74.44	374.29	4.85	-69.59
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718434	1	55	0.0	-69.60	392.15	6.53	-63.07
CC(C)CN(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718435	1	54	0.0	-54.60	383.63	8.02	-46.58
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718436	1	61	0.0	-46.92	433.97	10.64	-36.28
CC(C)C(CNC(=O)N(CC(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300012718437	1	49	0.0	-54.73	352.34	6.79	-47.94
CC(C)C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])[NH+]1CCOCC1	REAL300012718438	1	51	0.0	-55.91	387.36	8.09	-47.82
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCOC1)[NH+]1CCOCC1	REAL300012718439	1	50	0.0	-71.37	355.47	3.72	-67.65
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[NH+]1CCOCC1	REAL300012718440	1	58	0.0	-73.45	404.53	7.44	-66.01
CC(C)C(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718441	1	59	0.0	-69.49	421.02	7.98	-61.51
CC(C)C(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012718442	1	59	0.0	-46.50	424.75	11.00	-35.50
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCOCC1)[NH+]1CCOCC1	REAL300012718443	1	53	0.0	-75.48	369.30	5.39	-70.09
C=CCCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718444	1	52	0.0	-71.01	383.21	6.49	-64.52
CC(C)C(CNC(=O)NC(CF)C(=O)[O-])[NH+]1CCOCC1	REAL300012718445	1	45	0.0	-58.85	331.35	4.16	-54.69
CC(C)C(CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718446	1	58	0.0	-38.28	407.23	9.97	-28.31
CC(C)C(CNC(=O)N(C)C(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718447	1	48	0.0	-68.38	339.89	6.21	-62.17
CCC(CC)(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718448	1	54	0.0	-71.04	370.26	6.42	-64.62
COC1=CC=C(C(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012718449	1	56	0.0	-64.98	413.09	6.62	-58.36
CCC(C)N(CC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718450	1	54	0.0	-53.01	380.69	8.47	-44.54
CCC(COC)(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718451	1	55	0.0	-77.93	388.79	5.70	-72.23
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718452	1	58	0.0	-69.36	412.98	7.38	-61.98
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)[NH+]1CCOCC1	REAL300012718453	1	55	0.0	-78.01	396.00	3.40	-74.61
CC(C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718454	1	52	0.0	-71.70	382.48	6.72	-64.98
COCCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718455	1	52	0.0	-71.84	382.57	4.22	-67.62
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718456	1	57	0.0	-70.16	399.06	8.69	-61.47
CC(C)C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+]1CCOCC1	REAL300012718457	1	48	0.0	-71.73	361.25	5.44	-66.29
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718458	1	58	0.0	-77.86	398.28	9.64	-68.22
CCCN(C(=O)NCC(C(C)C)[NH+]1CCOCC1)C(C)C(=O)[O-]	REAL300012718459	1	54	0.0	-42.51	381.45	7.84	-34.67
CC(C)C(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718460	1	58	0.0	-59.43	413.39	9.81	-49.62
CCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012718461	1	58	0.0	-70.09	408.49	8.88	-61.21
COC1CCCC(C(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])C1	REAL300012718462	1	62	0.0	-69.09	433.19	6.45	-62.64
CC(C)C(CNC(=O)NC(CCF)C(=O)[O-])[NH+]1CCOCC1	REAL300012718463	1	48	0.0	-71.24	356.32	5.29	-65.95
COC1(CC(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])CCC1	REAL300012718464	1	59	0.0	-72.89	422.82	6.24	-66.65
CC(C)C(CNC(=O)N(CC(=O)[O-])C1CCOCC1)[NH+]1CCOCC1	REAL300012718465	1	56	0.0	-54.36	389.96	7.38	-46.98
CC(C)C(CNC(=O)N(CC(=O)[O-])C1CCCCC1)[NH+]1CCOCC1	REAL300012718466	1	58	0.0	-48.23	402.53	9.26	-38.97
CC(C)C(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[NH+]1CCOCC1	REAL300012718467	1	58	0.0	-74.12	393.26	7.79	-66.33
COC1=CC=CC(C(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300012718468	1	56	0.0	-74.23	416.53	6.54	-67.69
CC(C)C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+]1CCOCC1	REAL300012718469	1	51	0.0	-69.00	360.46	5.65	-63.35
CC(C)C(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[NH+]1CCOCC1	REAL300012718470	1	53	0.0	-57.00	382.31	7.94	-49.06
CC(C)C(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718471	1	49	0.0	-70.88	363.09	7.01	-63.87
COC1=CC=CC([C@H](NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300012718472	1	56	0.0	-69.97	412.70	6.57	-63.40
CC(C)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718473	1	48	0.0	-67.64	341.38	6.13	-61.51
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C(C)C)[NH+]2CCOCC2)C1	REAL300012718474	1	58	0.0	-80.34	414.87	8.83	-71.51
COC1=CC=CC(CC(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300012718475	1	59	0.0	-67.41	435.98	8.07	-59.34
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[NH+]1CCOCC1	REAL300012718476	1	61	0.0	-74.49	404.60	8.38	-66.11
CC(C)C(CNC(=O)N1CC2CC1(C(=O)[O-])C2)[NH+]1CCOCC1	REAL300012718477	1	50	0.0	-84.97	357.09	7.49	-77.48
COC1CN(C(=O)NCC(C(C)C)[NH+]2CCOCC2)C(C)(C(=O)[O-])C1	REAL300012718478	1	56	0.0	-75.52	397.00	7.19	-68.33
CC(C)C(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718479	1	59	0.0	-69.75	422.03	6.07	-63.68
CC(C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]1CCOCC1	REAL300012718480	1	54	0.0	-71.84	377.50	6.80	-65.04
C=C(Cl)CC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718481	1	49	0.0	-72.80	378.17	6.22	-66.58
C=C(C)CC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718482	1	52	0.0	-71.55	382.74	6.36	-65.19
CC(C)C(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)[NH+]1CCOCC1	REAL300012718483	1	53	0.0	-84.96	368.94	9.14	-75.82
CC(C)C(CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718484	1	58	0.0	-63.60	415.63	8.44	-55.16
CC(C)C(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718485	1	49	0.0	-71.08	361.52	7.25	-63.83
CC(C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718486	1	49	0.0	-76.86	356.11	7.17	-69.69
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C(C)C)[NH+]2CCOCC2)C1	REAL300012718487	1	50	0.0	-72.47	364.43	7.28	-65.19
CC(C)C(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718488	1	59	0.0	-70.17	417.88	6.71	-63.46
CC(C)C[C@H](NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718489	1	54	0.0	-72.34	389.57	6.48	-65.86
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCOCC1)[NH+]1CCOCC1	REAL300012718490	1	56	0.0	-66.75	391.58	5.02	-61.73
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012718491	1	52	0.0	-67.71	383.57	7.32	-60.39
CC(C)C(CNC(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718492	1	52	0.0	-71.70	382.48	6.72	-64.98
CC(C)C(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718493	1	51	0.0	-70.74	395.80	5.38	-65.36
CC(C)CCCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718494	1	60	0.0	-67.64	428.41	8.04	-59.60
CC(C)C(CNC(=O)NC(CC1CCCO1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718495	1	56	0.0	-68.07	403.60	5.61	-62.46
CSCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718496	1	49	0.0	-68.08	372.53	5.60	-62.48
COC[C@H](NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718497	1	49	0.0	-72.93	362.73	3.42	-69.51
CC[C@H](NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718498	1	48	0.0	-68.27	347.66	5.18	-63.09
CC(C)C(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718499	1	55	0.0	-70.04	415.41	8.32	-61.72
CCC(C)CC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718500	1	57	0.0	-71.84	405.83	7.11	-64.73
C=CCCCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718501	1	55	0.0	-71.52	405.54	7.26	-64.26
CC(C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718502	1	55	0.0	-67.59	412.88	8.85	-58.74
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)[NH+]1CCOCC1	REAL300012718503	1	58	0.0	-75.00	426.74	9.38	-65.62
CC(C)C(CNC(=O)N1CCSCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718504	1	50	0.0	-74.99	359.77	8.14	-66.85
CC(C)C(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012718505	1	55	0.0	-71.83	394.15	7.96	-63.87
CC(C)C(CNC(=O)N1CCC[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718506	1	49	0.0	-74.67	348.39	6.91	-67.76
CCCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718507	1	51	0.0	-68.28	368.68	5.95	-62.33
CC(C)C(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300012718508	1	51	0.0	-70.77	367.91	5.75	-65.02
CC(C)C(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])[NH+]1CCOCC1	REAL300012718509	1	53	0.0	-79.97	369.53	8.70	-71.27
CCN(C(=O)NCC(C(C)C)[NH+]1CCOCC1)C(C)(C)C(=O)[O-]	REAL300012718510	1	54	0.0	-69.16	375.22	7.95	-61.21
CCCN(C(=O)NCC(C(C)C)[NH+]1CCOCC1)C(C)C(=O)[O-]	REAL300012718511	1	54	0.0	-42.51	381.45	7.84	-34.67
CC(C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]1CCOCC1	REAL300012718512	1	48	0.0	-66.06	362.34	7.47	-58.59
CC(C)C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+]1CCOCC1	REAL300012718513	1	48	0.0	-66.06	362.34	7.47	-58.59
CC(C)C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718514	1	51	0.0	-73.99	354.91	7.07	-66.92
CC(C)C(CNC(=O)N1CCC[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718515	1	49	0.0	-78.69	349.07	7.09	-71.60
CC(C)C(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])[NH+]1CCOCC1	REAL300012718516	1	61	0.0	-55.93	437.02	5.45	-50.48
CC(C)C(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718517	1	50	0.0	-79.64	361.55	3.41	-76.23
CC(C)C(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])N1CCOCC1	REAL300012718518	0	65	0.0	-62.40	464.05	4.71	-57.69
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718519	1	56	0.0	-71.23	400.44	9.74	-61.49
CC(C)C(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718520	1	59	0.0	-57.08	413.65	10.18	-46.90
CCC[C@@H](NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718521	1	51	0.0	-70.41	372.37	5.94	-64.47
CC(C)C(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])[NH+]1CCOCC1	REAL300012718522	1	57	0.0	-68.07	404.23	8.32	-59.75
CC(C)C(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012718523	1	52	0.0	-71.58	387.05	7.25	-64.33
CC(C)C(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718524	1	57	0.0	-74.53	427.16	7.19	-67.34
C=CCCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718525	1	52	0.0	-71.01	383.21	6.49	-64.52
CC(C)C(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718526	1	51	0.0	-68.76	396.07	5.19	-63.57
CC(C)C(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718528	1	53	0.0	-72.38	376.74	6.48	-65.90
CC(C)C(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718529	1	52	0.0	-78.65	364.15	8.17	-70.48
CC(C)C(CNC(=O)N[C@H](C(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300012718530	1	51	0.0	-72.33	363.58	5.51	-66.82
CC(C)C(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012718531	1	52	0.0	-72.48	387.00	7.24	-65.24
CC(C)C(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718532	1	55	0.0	-73.88	396.48	6.60	-67.28
CC(C)C(CNC(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718533	1	48	0.0	-67.64	341.38	6.13	-61.51
CCC[C@H](NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718534	1	51	0.0	-71.95	372.37	5.95	-66.00
CCN(C(=O)NCC(C(C)C)[NH+]1CCOCC1)C(C)C(=O)[O-]	REAL300012718535	1	51	0.0	-71.89	361.10	7.71	-64.18
CC(C)C(CNC(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCOCC1	REAL300012718536	1	55	0.0	-47.97	385.14	8.55	-39.42
CC(C)C(CNC(=O)N(C)CC(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718537	1	51	0.0	-74.03	360.16	6.62	-67.41
CC[C@H](C)[C@H](NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718538	1	54	0.0	-72.91	382.12	6.14	-66.77
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718539	1	51	0.0	-69.27	361.17	7.16	-62.11
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)[NH+]1CCOCC1	REAL300012718540	1	53	0.0	-80.22	381.62	3.09	-77.13
CC(C)C(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)[NH+]1CCOCC1	REAL300012718541	1	61	0.0	-73.01	430.47	6.42	-66.59
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)[NH+]1CCOCC1	REAL300012718542	1	55	0.0	-76.26	386.02	6.94	-69.32
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)[NH+]1CCOCC1	REAL300012718543	1	58	0.0	-74.26	396.41	7.64	-66.62
COCCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718544	1	52	0.0	-71.84	382.57	4.22	-67.62
CC(C)C(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718545	1	58	0.0	-67.13	415.29	10.64	-56.49
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)[NH+]1CCOCC1	REAL300012718546	1	55	0.0	-76.24	387.27	7.61	-68.63
CC(C)C(CNC(=O)NC(C(=O)[O-])C1(C)CC1)[NH+]1CCOCC1	REAL300012718547	1	52	0.0	-65.46	369.11	6.51	-58.95
CC(C)C(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)[NH+]1CCOCC1	REAL300012718548	1	61	0.0	-71.73	435.19	6.42	-65.31
CC(C)C(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718549	1	50	0.0	-83.09	360.21	3.60	-79.49
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCOC1)[NH+]1CCOCC1	REAL300012718550	1	53	0.0	-66.54	382.87	4.84	-61.70
CC(C)C(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])[NH+]1CCOCC1	REAL300012718551	1	53	0.0	-83.76	371.41	8.22	-75.54
CC(C)C(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)[NH+]1CCOCC1	REAL300012718552	1	56	0.0	-80.18	418.95	7.32	-72.86
CC(C)C(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)[NH+]1CCOCC1	REAL300012718553	1	51	0.0	-73.72	361.13	6.07	-67.65
CC(C)C(CNC(=O)N1CC(C)CCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718554	1	55	0.0	-76.89	381.25	9.00	-67.89
CC(C)C(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)[NH+]1CCOCC1	REAL300012718555	1	58	0.0	-69.65	424.33	8.52	-61.13
CC(C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718556	1	59	0.0	-72.19	416.35	9.57	-62.62
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH+]1CCOCC1	REAL300012718557	1	52	0.0	-64.12	367.32	6.13	-57.99
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)[NH+]1CCOCC1	REAL300012718558	1	65	0.0	-75.11	443.14	7.96	-67.15
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCCCC1)[NH+]1CCOCC1	REAL300012718559	1	58	0.0	-73.45	404.53	7.44	-66.01
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCC1)[NH+]1CCOCC1	REAL300012718560	1	52	0.0	-64.12	367.32	6.13	-57.99
CC(C)C(CNC(=O)N1CCC(C)C1C(=O)[O-])[NH+]1CCOCC1	REAL300012718561	1	52	0.0	-79.92	368.47	7.90	-72.02
C=CCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718562	1	49	0.0	-71.48	363.04	5.59	-65.89
CC(C)C(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718563	1	59	0.0	-75.88	425.08	6.35	-69.53
CC(C)C(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)[NH+]1CCOCC1	REAL300012718564	1	59	0.0	-51.02	396.17	8.97	-42.05
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)[NH+]1CCOCC1	REAL300012718565	1	59	0.0	-76.83	399.98	6.23	-70.60
CC1=CC=CC2=C1CCN(C(=O)NCC(C(C)C)[NH+]1CCOCC1)C2C(=O)[O-]	REAL300012718566	1	59	0.0	-77.53	414.63	10.15	-67.38
CC(C)C(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718567	1	53	0.0	-48.48	369.84	8.07	-40.41
CC(C)C(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718568	1	59	0.0	-72.19	416.35	9.57	-62.62
CC(C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718569	1	55	0.0	-76.29	413.18	8.79	-67.50
COC1CC(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300012718570	1	53	0.0	-72.13	381.09	5.26	-66.87
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)[NH+]1CCOCC1	REAL300012718571	1	49	0.0	-75.58	359.50	5.94	-69.64
CO[C@H]1C[C@](NC(=O)NCC(C(C)C)[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300012718572	1	53	0.0	-68.31	380.86	5.27	-63.04
CC(C)C(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)[NH+]1CCOCC1	REAL300012718573	1	52	0.0	-68.36	388.91	6.90	-61.46
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718574	1	55	0.0	-77.35	382.71	8.79	-68.56
CC(C)C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCOCC1	REAL300012718575	1	48	0.0	-66.14	365.66	5.84	-60.30
CC(C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718576	1	56	0.0	-70.17	405.52	5.30	-64.87
CC(C)C(CNC(=O)NC1(C(=O)[O-])COC1)[NH+]1CCOCC1	REAL300012718577	1	47	0.0	-70.44	341.99	2.96	-67.48
CC(C)C(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718578	1	52	0.0	-68.80	401.25	7.25	-61.55
COCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012718579	1	59	0.0	-71.76	427.80	7.21	-64.55
CC(C)C(CNC(=O)NC(C)(C(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300012718580	1	54	0.0	-66.71	372.77	6.26	-60.45
CC(C)C(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718581	1	50	0.0	-81.93	356.58	8.14	-73.79
CC(C)C(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718582	1	53	0.0	-72.53	369.91	7.65	-64.88
CC(C)C(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718583	1	58	0.0	-59.43	413.39	9.81	-49.62
CC(C)C(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718584	1	61	0.0	-69.25	428.04	8.41	-60.84
CC(C)C(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718585	1	58	0.0	-73.30	432.28	8.97	-64.33
CC(C)C(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718586	1	58	0.0	-71.16	432.03	9.03	-62.13
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)[NH+]1CCOCC1	REAL300012718587	1	59	0.0	-70.19	409.35	8.00	-62.19
CC(C)C(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718588	1	61	0.0	-73.16	428.42	9.02	-64.14
CC(C)C(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718589	1	61	0.0	-69.28	428.05	8.40	-60.88
CC(C)C(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718590	1	59	0.0	-42.21	405.35	8.53	-33.68
CC(C)C(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718591	1	59	0.0	-74.95	408.20	8.88	-66.07
COC1=CC=C(CC(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012718592	1	59	0.0	-72.90	438.56	7.55	-65.35
C=CCSCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718593	1	53	0.0	-68.11	406.81	7.05	-61.06
CC(C)C(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718594	1	56	0.0	-72.02	430.12	8.58	-63.44
CCC(C(=O)[O-])N(CC)C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718595	1	54	0.0	-72.82	375.41	8.60	-64.22
COC1(C(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])CCC1	REAL300012718596	1	56	0.0	-67.91	398.32	4.83	-63.08
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)[NH+]1CCOCC1	REAL300012718597	1	58	0.0	-74.77	410.48	8.37	-66.40
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)[NH+]1CCOCC1	REAL300012718598	1	59	0.0	-74.28	417.39	9.34	-64.94
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)[NH+]1CCOCC1	REAL300012718599	1	52	0.0	-71.00	385.03	6.81	-64.19
CC(C)C1=CC=C(C(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012718601	1	61	0.0	-71.62	447.01	9.26	-62.36
CC(C)C(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718602	1	49	0.0	-76.86	356.11	7.17	-69.69
CC(C)C(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])[NH+]1CCOCC1	REAL300012718603	1	51	0.0	-48.88	364.07	7.98	-40.90
CC(C)C(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])[NH+]1CCOCC1	REAL300012718604	1	55	0.0	-75.85	383.25	8.23	-67.62
CCOC1=CC=C(C(NC(=O)NCC(C(C)C)[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300012718605	1	59	0.0	-71.85	438.14	7.55	-64.30
CC(C)C(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718606	1	59	0.0	-78.45	405.46	9.66	-68.79
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)[NH+]1CCOCC1	REAL300012718607	1	59	0.0	-70.67	427.91	9.22	-61.45
CC(C)C(CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718608	1	59	0.0	-70.17	426.25	8.27	-61.90
CC(C)C(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])[NH+]1CCOCC1	REAL300012718609	1	55	0.0	-77.77	423.26	8.17	-69.60
CC(C)CCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718610	1	57	0.0	-72.41	410.29	7.21	-65.20
CC(C)C(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718611	1	56	0.0	-49.22	395.58	8.59	-40.63
CC(C)C(CNC(=O)NC(CC1CCOC1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718612	1	56	0.0	-70.17	405.52	5.30	-64.87
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C(C)C)[NH+]2CCOCC2)C1	REAL300012718613	1	53	0.0	-76.14	393.03	8.26	-67.88
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)[NH+]1CCOCC1	REAL300012718614	1	56	0.0	-66.80	385.73	7.76	-59.04
CC(C)C(CNC(=O)NC1(C(=O)[O-])CCC2CC21)[NH+]1CCOCC1	REAL300012718615	1	53	0.0	-74.37	374.86	6.93	-67.44
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)[NH+]1CCOCC1	REAL300012718616	1	56	0.0	-74.08	393.60	7.55	-66.53
CC(C)C(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718617	1	58	0.0	-63.70	413.93	10.09	-53.61
CC(C)C(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)[NH+]1CCOCC1	REAL300012718618	1	62	0.0	-49.09	424.66	9.55	-39.54
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCCC1)[NH+]1CCOCC1	REAL300012718619	1	55	0.0	-73.21	387.35	6.66	-66.55
CO[C@H](C)[C@H](NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718620	1	52	0.0	-68.96	377.52	4.48	-64.48
CC(C)C(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)[NH+]1CCOCC1	REAL300012718621	1	52	0.0	-77.01	374.48	7.01	-70.00
CC(C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)[NH+]1CCOCC1	REAL300012718622	1	55	0.0	-49.12	407.74	9.98	-39.14
CC(C)C(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718623	1	55	0.0	-49.35	388.57	7.90	-41.45
CC(C)C(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718624	1	52	0.0	-69.89	371.43	7.77	-62.12
CC(C)C(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])[NH+]1CCOCC1	REAL300012718625	1	49	0.0	-81.34	360.47	7.25	-74.09
CC(C)C(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718626	1	55	0.0	-76.29	413.18	8.79	-67.50
CC(C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718627	1	52	0.0	-71.79	397.36	7.71	-64.08
CC(C)C(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718628	1	52	0.0	-71.99	378.86	7.76	-64.23
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)[NH+]1CCOCC1	REAL300012718629	1	56	0.0	-77.49	413.13	7.95	-69.54
CC(C)C(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718630	1	52	0.0	-71.79	397.36	7.71	-64.08
CC(C)C(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718631	1	56	0.0	-72.53	385.35	8.43	-64.10
COCCCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718632	1	55	0.0	-66.40	401.52	5.04	-61.36
CCCC(C(=O)[O-])N(C)C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300012718633	1	54	0.0	-69.14	381.69	8.06	-61.08
CCOCC(NC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300012718634	1	52	0.0	-71.26	385.13	4.40	-66.86
CC(C)C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718635	1	57	0.0	-70.33	399.78	7.62	-62.71
CC(C)C(CNC(=O)NC(C(=O)[O-])C1CCCCO1)[NH+]1CCOCC1	REAL300012718636	1	56	0.0	-70.93	398.42	5.73	-65.20
CC(C)C(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)[NH+]1CCOCC1	REAL300012718637	1	56	0.0	-70.04	402.47	8.93	-61.11
CC(C)C(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718638	1	53	0.0	-78.87	371.52	6.19	-72.68
CC(C)C(CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])[NH+]1CCOCC1	REAL300012718639	1	55	0.0	-74.83	389.77	8.70	-66.13
CC(C)C(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+]1CCOCC1	REAL300012718640	1	49	0.0	-73.53	369.75	5.66	-67.87
CC(C)C(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)[NH+]1CCOCC1	REAL300012718641	1	52	0.0	-56.43	380.23	8.36	-48.07
CC(C)C(CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])[NH+]1CCOCC1	REAL300012718642	1	63	0.0	-77.33	422.87	8.56	-68.77
CC(C)C(CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])[NH+]1CCOCC1	REAL300012718643	1	54	0.0	-74.90	421.12	6.84	-68.06
CC(C)C(CNC(=O)N(C)[C@H](C)C(=O)[O-])[NH+]1CCOCC1	REAL300012718644	1	48	0.0	-68.00	338.30	6.69	-61.31
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C(C)C)[NH+]2CCOCC2)C1	REAL300012718645	1	56	0.0	-75.45	403.85	7.15	-68.30
CC(C)C[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718646	1	53	0.0	-69.19	406.23	7.19	-62.00
C=CCOCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718647	1	52	0.0	-70.44	414.48	5.61	-64.83
C=CC(C)C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718648	1	51	0.0	-65.71	398.38	7.00	-58.71
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCOCC1	REAL300012718649	1	55	0.0	-71.14	412.85	5.62	-65.52
COC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C(C(=O)[O-])C1	REAL300012718650	1	55	0.0	-77.60	410.36	7.76	-69.84
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCCOC1	REAL300012718651	1	55	0.0	-66.79	412.82	5.65	-61.14
CC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C(C(=O)[O-])C1	REAL300012718652	1	54	0.0	-79.11	392.55	9.40	-69.71
CC1=CC(C(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C(=O)[O-])=CC(C)=C1	REAL300012718653	1	57	0.0	-69.30	447.12	9.31	-59.99
CC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C(=O)[O-])C=C1C	REAL300012718654	1	57	0.0	-71.45	442.91	9.11	-62.34
CC1=CC=CC(C(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C(=O)[O-])=C1C	REAL300012718655	1	57	0.0	-70.72	434.52	8.93	-61.79
CCCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718656	1	50	0.0	-55.92	387.78	8.41	-47.51
CC(C(=O)[O-])N(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCC1	REAL300012718657	1	54	0.0	-57.89	400.12	8.71	-49.18
CCCN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(COC)C(=O)[O-]	REAL300012718658	1	57	0.0	-71.77	430.64	9.33	-62.44
CCCN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(CC)C(=O)[O-]	REAL300012718659	1	56	0.0	-50.89	410.90	10.10	-40.79
CC(C)C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718660	1	50	0.0	-66.75	383.48	6.44	-60.31
O=C([O-])C1CCCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718661	1	51	0.0	-78.79	378.43	9.04	-69.75
O=C([O-])C1CSCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718662	1	49	0.0	-75.22	378.21	8.87	-66.35
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCCCC1	REAL300012718663	1	54	0.0	-71.26	397.87	8.05	-63.21
O=C([O-])C1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718664	1	48	0.0	-75.47	367.11	7.75	-67.72
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCCC1	REAL300012718665	1	51	0.0	-71.34	383.36	6.94	-64.40
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCCCCC1	REAL300012718666	1	57	0.0	-71.86	403.53	8.71	-63.15
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718667	1	54	0.0	-68.77	426.54	8.91	-59.86
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718668	1	54	0.0	-55.85	425.28	10.66	-45.19
O=C([O-])[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1=CC=CC=C1	REAL300012718669	1	51	0.0	-68.55	404.29	7.99	-60.56
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1=CC=CC=C1	REAL300012718670	1	51	0.0	-69.98	403.88	7.93	-62.05
CCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718671	1	47	0.0	-69.43	368.36	5.84	-63.59
CC(C)C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718672	1	50	0.0	-66.75	383.48	6.44	-60.31
CN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718673	1	44	0.0	-66.84	344.48	6.67	-60.17
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718674	1	54	0.0	-68.77	426.54	8.91	-59.86
CC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718675	1	44	0.0	-59.35	346.84	4.78	-54.57
CCC(C)C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718676	1	53	0.0	-68.50	399.01	6.81	-61.69
CN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718677	1	44	0.0	-66.84	344.48	6.67	-60.17
O=C([O-])C1CCCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718678	1	51	0.0	-78.79	378.43	9.04	-69.75
CCCC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718679	1	53	0.0	-69.45	393.99	6.97	-62.48
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718680	1	50	0.0	-56.79	376.41	7.93	-48.86
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CC1	REAL300012718681	1	48	0.0	-67.70	371.23	8.04	-59.66
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718682	1	48	0.0	-55.65	379.10	8.21	-47.44
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718683	1	53	0.0	-55.89	402.44	8.93	-46.96
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718684	1	55	0.0	-77.92	416.04	10.91	-67.01
CC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718685	1	47	0.0	-57.73	359.10	5.21	-52.52
CC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)(C(=O)[O-])C1CC1	REAL300012718686	1	51	0.0	-69.15	381.99	6.96	-62.19
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1=CC=CS1	REAL300012718687	1	48	0.0	-67.04	396.09	6.99	-60.05
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCCCC1	REAL300012718688	1	54	0.0	-71.26	397.87	8.05	-63.21
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718689	1	50	0.0	-56.79	376.41	7.93	-48.86
CCCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718690	1	50	0.0	-55.92	387.78	8.41	-47.51
CCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718691	1	47	0.0	-66.99	366.28	7.65	-59.34
CC[C@H](C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718692	1	53	0.0	-70.36	399.53	6.80	-63.56
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCCC1	REAL300012718693	1	51	0.0	-71.34	383.36	6.94	-64.40
CCC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718694	1	50	0.0	-69.18	372.49	6.21	-62.97
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC2=CC=CC=C2C1	REAL300012718695	1	55	0.0	-70.43	422.41	9.09	-61.34
CC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012718696	1	54	0.0	-71.10	412.31	8.68	-62.42
C[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718697	1	44	0.0	-59.57	346.53	4.81	-54.76
CCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718698	1	47	0.0	-66.99	366.28	7.65	-59.34
CCCCCCC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718699	1	62	0.0	-69.64	458.49	9.30	-60.34
CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012718700	1	57	0.0	-66.56	435.35	10.78	-55.78
C[C@@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718701	1	44	0.0	-58.90	346.53	4.81	-54.09
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300012718702	1	45	0.0	-73.44	352.67	6.04	-67.40
O=C([O-])C1COCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718703	1	49	0.0	-74.24	369.18	6.31	-67.93
CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1(C(=O)[O-])CCCCC1	REAL300012718704	1	57	0.0	-72.83	407.07	9.35	-63.48
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CC1	REAL300012718705	1	48	0.0	-69.88	378.11	6.38	-63.50
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718706	1	57	0.0	-56.99	447.69	11.43	-45.56
CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012718707	1	54	0.0	-71.81	414.26	10.17	-61.64
COCCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718708	1	51	0.0	-56.52	397.66	6.84	-49.68
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCC2=CC=CC=C21	REAL300012718709	1	55	0.0	-73.76	419.22	9.01	-64.75
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718710	1	48	0.0	-76.23	367.84	7.44	-68.79
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718711	1	51	0.0	-77.10	377.90	8.75	-68.35
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718712	1	47	0.0	-63.44	359.38	6.91	-56.53
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718713	1	48	0.0	-75.50	367.10	7.75	-67.75
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCC1	REAL300012718714	1	48	0.0	-72.46	369.48	6.55	-65.91
C=CCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718715	1	48	0.0	-68.21	380.84	6.29	-61.92
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718716	1	51	0.0	-75.57	384.19	8.30	-67.27
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718717	1	54	0.0	-78.08	391.26	9.40	-68.68
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CC1	REAL300012718718	1	48	0.0	-69.88	378.11	6.38	-63.50
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718719	1	47	0.0	-63.44	359.38	6.91	-56.53
CCCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718720	1	53	0.0	-68.71	410.52	7.39	-61.32
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718721	1	57	0.0	-56.99	447.69	11.43	-45.56
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718722	1	51	0.0	-75.59	384.19	8.31	-67.28
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCCC1	REAL300012718723	1	54	0.0	-55.16	402.62	9.22	-45.94
COCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718724	1	48	0.0	-70.87	380.21	4.07	-66.80
CCCCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718725	1	56	0.0	-69.30	432.85	8.17	-61.13
CCC1CCC(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)(C(=O)[O-])CC1	REAL300012718726	1	60	0.0	-71.17	436.94	9.30	-61.87
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCOCC1	REAL300012718727	1	55	0.0	-55.78	411.00	7.55	-48.23
CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1(C(=O)[O-])CCCC1	REAL300012718728	1	54	0.0	-75.96	393.81	8.65	-67.31
CC(C(=O)[O-])N(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CC1	REAL300012718729	1	51	0.0	-63.95	377.15	7.94	-56.01
CCC(C(=O)[O-])N(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CC1	REAL300012718730	1	54	0.0	-52.75	405.37	9.35	-43.40
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1=CC=CC=C1F	REAL300012718731	1	51	0.0	-73.54	408.66	8.06	-65.48
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718732	1	55	0.0	-55.13	419.43	10.34	-44.79
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718733	1	60	0.0	-67.64	448.38	9.10	-58.54
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718734	1	57	0.0	-55.42	433.34	11.30	-44.12
CC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C(=O)[O-])C=C1	REAL300012718735	1	54	0.0	-70.14	425.30	8.61	-61.53
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718736	1	47	0.0	-63.57	384.29	6.53	-57.04
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCSCC1	REAL300012718737	1	52	0.0	-67.53	395.57	7.74	-59.79
COCC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718738	1	51	0.0	-73.55	390.74	5.49	-68.06
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718739	1	54	0.0	-66.49	410.99	7.32	-59.17
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718740	1	53	0.0	-55.89	402.44	8.93	-46.96
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CC1	REAL300012718741	1	48	0.0	-67.70	371.23	8.04	-59.66
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718742	1	50	0.0	-56.07	405.92	8.79	-47.28
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCOC1	REAL300012718743	1	49	0.0	-68.71	374.01	4.34	-64.37
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCCCC1	REAL300012718744	1	57	0.0	-68.79	421.42	8.12	-60.67
CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(COC1CCC1)C(=O)[O-]	REAL300012718745	1	58	0.0	-67.87	437.04	8.63	-59.24
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCOCC1	REAL300012718746	1	52	0.0	-70.55	389.30	5.55	-65.00
C=CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718747	1	51	0.0	-68.34	401.83	7.17	-61.17
O=C([O-])C(CF)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718748	1	44	0.0	-57.14	350.14	4.82	-52.32
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718749	1	57	0.0	-45.13	436.83	11.70	-33.43
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718750	1	47	0.0	-63.44	359.38	6.91	-56.53
CCC(CC)(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718751	1	53	0.0	-70.43	389.17	7.10	-63.33
COC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C(=O)[O-])C=C1	REAL300012718752	1	55	0.0	-70.32	433.98	7.20	-63.12
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718753	1	53	0.0	-53.98	399.36	9.15	-44.83
CCC(COC)(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718754	1	54	0.0	-74.95	407.41	6.40	-68.55
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718755	1	57	0.0	-66.81	430.77	7.97	-58.84
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718756	1	51	0.0	-69.26	399.96	7.39	-61.87
COCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718757	1	51	0.0	-69.07	401.20	4.91	-64.16
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718758	1	56	0.0	-66.59	416.64	9.18	-57.41
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718759	1	47	0.0	-68.79	380.70	6.13	-62.66
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718760	1	57	0.0	-76.27	418.96	10.26	-66.01
CCCN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(C)C(=O)[O-]	REAL300012718761	1	53	0.0	-64.15	397.44	8.38	-55.77
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718762	1	57	0.0	-45.17	436.83	11.71	-33.46
CCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012718763	1	57	0.0	-70.37	429.29	9.58	-60.79
O=C([O-])C(CCF)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718764	1	47	0.0	-68.16	374.95	5.98	-62.18
COC1(CC(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C(=O)[O-])CCC1	REAL300012718765	1	58	0.0	-70.78	438.10	7.27	-63.51
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCOCC1	REAL300012718766	1	55	0.0	-55.78	411.00	7.55	-48.23
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCCCC1	REAL300012718767	1	57	0.0	-55.56	420.02	9.93	-45.63
C[C@H]1CC[C@@](NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)(C(=O)[O-])CC1	REAL300012718768	1	57	0.0	-72.09	411.64	8.43	-63.66
COC1=CC=CC(C(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C(=O)[O-])=C1	REAL300012718769	1	55	0.0	-72.83	433.99	7.20	-65.63
CC(CCF)(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718770	1	50	0.0	-66.18	379.08	6.35	-59.83
O=C([O-])C1C2=C(CCN1C(=O)NCC1=CC=[NH+]C(N3CCCCC3)=C1)OC=C2	REAL300012718771	1	52	0.0	-57.58	401.79	8.53	-49.05
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718772	1	48	0.0	-69.32	380.86	7.58	-61.74
COC1=CC=CC([C@H](NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C(=O)[O-])=C1	REAL300012718773	1	55	0.0	-72.83	433.99	7.20	-65.63
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718774	1	47	0.0	-65.49	358.31	6.84	-58.65
CC1(C)CCCC(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)(C(=O)[O-])C1	REAL300012718775	1	60	0.0	-72.50	425.79	8.93	-63.57
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718776	1	49	0.0	-80.24	374.36	8.39	-71.85
COC1CN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C(C)(C(=O)[O-])C1	REAL300012718777	1	55	0.0	-70.90	417.02	7.33	-63.57
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718778	1	58	0.0	-68.00	435.22	7.42	-60.58
CC(C)(C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718779	1	53	0.0	-70.70	399.15	6.94	-63.76
C=C(Cl)CC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718780	1	48	0.0	-70.00	397.62	6.89	-63.11
C=C(C)CC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718781	1	51	0.0	-68.84	401.37	7.05	-61.79
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718782	1	52	0.0	-82.67	389.21	9.20	-73.47
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718783	1	48	0.0	-67.69	380.09	7.93	-59.76
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718784	1	48	0.0	-73.31	373.55	7.85	-65.46
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300012718785	1	49	0.0	-75.81	381.23	7.84	-67.97
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718786	1	58	0.0	-70.72	439.52	6.71	-64.01
CC(C)C[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718787	1	53	0.0	-69.19	406.23	7.19	-62.00
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCOCC1	REAL300012718788	1	55	0.0	-71.14	412.85	5.62	-65.52
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1=CC=CC=C1	REAL300012718789	1	51	0.0	-69.98	403.88	7.93	-62.05
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718790	1	51	0.0	-69.26	399.96	7.39	-61.87
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718791	1	50	0.0	-67.23	412.49	6.02	-61.21
CC(C)CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718792	1	59	0.0	-68.75	449.59	8.69	-60.06
O=C([O-])C(CC1CCCO1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718793	1	55	0.0	-71.45	424.30	6.28	-65.17
CSCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718794	1	48	0.0	-66.63	391.83	6.25	-60.38
COC[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718795	1	48	0.0	-70.36	379.73	4.06	-66.30
CC[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718796	1	47	0.0	-69.42	368.36	5.84	-63.58
CCC(C)CC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718797	1	56	0.0	-69.75	425.29	7.80	-61.95
C=CCCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718798	1	54	0.0	-68.87	424.16	7.95	-60.92
O=C([O-])C1CSCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718799	1	49	0.0	-75.22	378.21	8.87	-66.35
CC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012718800	1	54	0.0	-71.10	412.31	8.68	-62.42
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718801	1	48	0.0	-76.23	367.84	7.44	-68.79
CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718802	1	50	0.0	-69.42	389.85	6.60	-62.82
CC(C)[C@@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718803	1	50	0.0	-67.82	385.40	6.41	-61.41
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718804	1	52	0.0	-80.71	388.31	9.34	-71.37
CCN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(C)(C)C(=O)[O-]	REAL300012718805	1	53	0.0	-70.65	393.03	8.60	-62.05
CCCN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(C)C(=O)[O-]	REAL300012718806	1	53	0.0	-64.15	397.44	8.38	-55.77
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718807	1	47	0.0	-63.24	380.90	8.15	-55.09
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718808	1	47	0.0	-63.24	380.90	8.15	-55.09
CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(C)(C)C(=O)[O-]	REAL300012718809	1	50	0.0	-70.77	373.59	7.73	-63.04
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718810	1	48	0.0	-75.50	367.10	7.75	-67.75
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718811	1	49	0.0	-79.16	380.49	3.95	-75.21
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718812	1	55	0.0	-47.88	420.58	10.82	-37.06
CCC[C@@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718813	1	50	0.0	-67.01	389.61	6.66	-60.35
O=C([O-])[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1=CC=CC=C1	REAL300012718814	1	51	0.0	-68.55	404.29	7.99	-60.56
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718815	1	56	0.0	-68.96	444.40	7.92	-61.04
C=CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718816	1	51	0.0	-68.34	401.83	7.17	-61.17
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718817	1	50	0.0	-70.18	413.06	5.91	-64.27
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718818	1	51	0.0	-84.64	397.62	5.31	-79.33
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1=O	REAL300012718819	1	52	0.0	-69.35	395.14	7.04	-62.31
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718820	1	51	0.0	-75.83	384.18	8.31	-67.52
CC(C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718821	1	50	0.0	-69.77	381.05	6.16	-63.61
O=C([O-])[C@@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1=CC=CC=C1	REAL300012718822	1	51	0.0	-70.59	404.49	7.91	-62.68
CC(CN1C=CC=N1)(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718823	1	54	0.0	-70.17	418.32	7.27	-62.90
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718824	1	47	0.0	-65.49	358.31	6.84	-58.65
CCC[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718825	1	50	0.0	-68.76	389.02	6.61	-62.15
CCN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(C)C(=O)[O-]	REAL300012718826	1	50	0.0	-63.86	375.55	7.58	-56.28
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCCC1	REAL300012718827	1	54	0.0	-55.16	402.62	9.22	-45.94
CC(CN(C)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718828	1	50	0.0	-69.28	379.58	7.34	-61.94
CC[C@H](C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718829	1	53	0.0	-70.36	399.53	6.80	-63.56
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718830	1	50	0.0	-66.42	378.78	7.83	-58.59
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC(CO)C1	REAL300012718831	1	52	0.0	-72.68	401.73	3.85	-68.83
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718832	1	60	0.0	-72.03	451.74	7.10	-64.93
CC1CCC(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)(C(=O)[O-])C1	REAL300012718833	1	54	0.0	-71.67	404.37	7.58	-64.09
CC1(C)CCCC1(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718834	1	57	0.0	-71.68	413.85	8.30	-63.38
COCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718835	1	51	0.0	-69.07	401.20	4.91	-64.16
CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012718836	1	57	0.0	-66.56	435.35	10.78	-55.78
CC1(C)CC(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)(C(=O)[O-])C1	REAL300012718837	1	54	0.0	-72.97	405.90	8.27	-64.70
CC1(C(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C(=O)[O-])CC1	REAL300012718838	1	51	0.0	-69.06	389.75	7.18	-61.88
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718839	1	60	0.0	-68.69	452.14	7.11	-61.58
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718840	1	49	0.0	-80.10	377.74	4.23	-75.87
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCOC1	REAL300012718841	1	52	0.0	-66.58	398.45	4.86	-61.72
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718842	1	52	0.0	-78.73	389.19	8.89	-69.84
O=C([O-])C12COC(CN1C(=O)NCC1=CC=[NH+]C(N3CCCCC3)=C1)C2	REAL300012718843	1	50	0.0	-75.93	381.24	6.64	-69.29
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300012718844	1	54	0.0	-79.24	394.71	9.89	-69.35
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718845	1	57	0.0	-67.41	441.96	9.25	-58.16
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718846	1	58	0.0	-67.00	436.28	9.70	-57.30
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCC1	REAL300012718847	1	51	0.0	-67.73	387.95	6.80	-60.93
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCCCC1	REAL300012718848	1	57	0.0	-68.79	421.42	8.12	-60.67
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCC1	REAL300012718849	1	51	0.0	-67.73	387.95	6.80	-60.93
CC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1C(=O)[O-]	REAL300012718850	1	51	0.0	-76.96	388.34	8.06	-68.90
C=CCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718851	1	48	0.0	-68.21	380.84	6.29	-61.92
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718852	1	58	0.0	-73.24	442.50	7.01	-66.23
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718853	1	58	0.0	-48.13	414.20	9.58	-38.55
CC1(C)CC(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)(C(=O)[O-])CCO1	REAL300012718854	1	58	0.0	-71.46	418.35	6.84	-64.62
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718855	1	52	0.0	-50.65	389.91	8.76	-41.89
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718856	1	58	0.0	-67.00	436.28	9.70	-57.30
COC1CC(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)(C(=O)[O-])C1	REAL300012718857	1	52	0.0	-74.70	402.93	5.52	-69.18
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC(F)(F)C1	REAL300012718858	1	48	0.0	-70.72	377.91	6.57	-64.15
CO[C@H]1C[C@](NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)(C(=O)[O-])C1	REAL300012718859	1	52	0.0	-71.50	401.74	5.81	-65.69
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718860	1	54	0.0	-76.00	397.50	9.53	-66.47
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718861	1	47	0.0	-63.57	384.29	6.53	-57.04
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718862	1	55	0.0	-70.70	423.22	5.91	-64.79
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)COC1	REAL300012718863	1	46	0.0	-66.37	360.31	3.59	-62.78
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718864	1	51	0.0	-70.10	417.82	7.92	-62.18
CC(C)C(C)(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718865	1	53	0.0	-68.39	389.23	6.90	-61.49
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718866	1	49	0.0	-79.51	374.33	8.94	-70.57
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718867	1	52	0.0	-75.48	390.56	8.53	-66.95
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718868	1	57	0.0	-45.17	436.83	11.71	-33.46
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718869	1	60	0.0	-67.64	448.38	9.10	-58.54
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718870	1	57	0.0	-69.89	448.93	9.64	-60.25
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718871	1	57	0.0	-68.16	449.52	9.68	-58.48
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CC2CCC1C2	REAL300012718872	1	58	0.0	-69.17	430.15	8.70	-60.47
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718873	1	60	0.0	-67.67	448.42	9.12	-58.55
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718874	1	60	0.0	-69.81	448.38	9.11	-60.70
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718875	1	58	0.0	-47.84	428.83	9.71	-38.13
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718876	1	58	0.0	-78.23	426.83	9.66	-68.57
C=CCSCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718877	1	52	0.0	-66.71	426.10	7.71	-59.00
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718878	1	53	0.0	-67.00	393.40	8.73	-58.27
COC1(C(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C(=O)[O-])CCC1	REAL300012718879	1	55	0.0	-66.36	415.29	5.47	-60.89
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC(C(F)F)C1	REAL300012718880	1	51	0.0	-73.75	401.71	7.35	-66.40
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718882	1	48	0.0	-73.31	373.55	7.85	-65.46
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718883	1	50	0.0	-52.50	383.20	8.56	-43.94
CC1(C)CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1C(=O)[O-]	REAL300012718884	1	54	0.0	-76.49	399.42	8.71	-67.78
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718885	1	58	0.0	-76.86	423.58	10.42	-66.44
CC(C)CCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718886	1	56	0.0	-68.95	428.09	7.91	-61.04
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718887	1	55	0.0	-47.93	413.97	9.25	-38.68
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718888	1	55	0.0	-70.70	423.22	5.91	-64.79
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300012718889	1	52	0.0	-73.51	410.18	8.92	-64.59
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCCC2CC21	REAL300012718890	1	55	0.0	-70.92	406.36	8.42	-62.50
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCC2CC21	REAL300012718891	1	52	0.0	-74.97	390.85	7.78	-67.19
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC2(CCC2)C1	REAL300012718892	1	55	0.0	-71.36	412.11	8.17	-63.19
CN(C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012718893	1	57	0.0	-66.57	435.35	10.78	-55.79
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCCC1	REAL300012718894	1	54	0.0	-68.74	404.56	7.36	-61.38
CO[C@H](C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718895	1	51	0.0	-70.19	397.87	5.07	-65.12
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718896	1	51	0.0	-71.90	382.49	7.08	-64.82
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718897	1	54	0.0	-55.85	425.28	10.66	-45.19
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300012718898	1	54	0.0	-48.09	406.94	8.54	-39.55
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718899	1	51	0.0	-74.98	389.29	8.86	-66.12
O=C([O-])C1N(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCC1(F)F	REAL300012718900	1	48	0.0	-78.96	378.77	7.89	-71.07
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718901	1	51	0.0	-67.68	417.56	7.79	-59.89
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718902	1	51	0.0	-68.27	396.30	8.41	-59.86
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718903	1	51	0.0	-67.68	417.56	7.79	-59.89
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718904	1	55	0.0	-76.33	405.80	8.84	-67.49
COCCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718905	1	54	0.0	-68.08	422.69	5.68	-62.40
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718906	1	53	0.0	-66.61	400.28	8.60	-58.01
CCOCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718907	1	51	0.0	-70.78	401.58	5.04	-65.74
CC(C)(C)CC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718908	1	56	0.0	-68.09	419.19	8.23	-59.86
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CCCCO1	REAL300012718909	1	55	0.0	-72.15	419.04	6.38	-65.77
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC2=CC=CC=C2C1	REAL300012718910	1	55	0.0	-70.43	422.41	9.09	-61.34
C[C@H]1OCCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)[C@@H]1C(=O)[O-]	REAL300012718911	1	52	0.0	-77.09	390.08	7.30	-69.79
N#CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300012718912	1	48	0.0	-70.82	389.21	6.34	-64.48
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718913	1	51	0.0	-56.80	406.95	8.80	-48.00
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300012718914	1	47	0.0	-63.44	359.38	6.91	-56.53
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300012718915	1	55	0.0	-71.22	421.39	7.79	-63.43
CC(C)C[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718916	1	50	0.0	-70.36	391.71	6.32	-64.04
C=CCOCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718917	1	49	0.0	-71.80	399.89	4.71	-67.09
C=CC(C)C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718918	1	48	0.0	-65.94	383.29	6.09	-59.85
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCOCC1	REAL300012718919	1	52	0.0	-74.22	398.34	4.71	-69.51
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1=CC=C(F)C(F)=C1	REAL300012718920	1	48	0.0	-65.13	401.50	7.15	-57.98
COC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(C(=O)[O-])C1	REAL300012718921	1	52	0.0	-78.75	395.43	6.84	-71.91
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCCOC1	REAL300012718922	1	52	0.0	-66.95	397.73	4.75	-62.20
CC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(C(=O)[O-])C1	REAL300012718923	1	51	0.0	-77.91	383.86	8.46	-69.45
CC1=CC(C(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])=CC=C1F	REAL300012718924	1	51	0.0	-68.11	416.15	7.70	-60.41
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1=CC=C2OCCC2=C1	REAL300012718925	1	53	0.0	-70.96	424.72	6.87	-64.09
CC1=CC(C(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])=CC(C)=C1	REAL300012718926	1	54	0.0	-69.97	432.27	8.33	-61.64
CC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])C=C1C	REAL300012718927	1	54	0.0	-71.95	427.60	8.29	-63.66
CC1=CC=CC(C(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])=C1C	REAL300012718928	1	54	0.0	-71.61	419.40	8.02	-63.59
CCCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718929	1	47	0.0	-56.34	372.70	7.50	-48.84
CC(C(=O)[O-])N(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCC1	REAL300012718930	1	51	0.0	-42.33	381.09	8.75	-33.58
CCCN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(COC)C(=O)[O-]	REAL300012718931	1	54	0.0	-70.30	415.42	8.46	-61.84
CCCN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(CC)C(=O)[O-]	REAL300012718932	1	53	0.0	-51.12	396.93	9.15	-41.97
CC(C)C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718933	1	47	0.0	-68.13	370.31	5.50	-62.63
O=C([O-])C1CCCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718934	1	48	0.0	-79.98	363.49	8.18	-71.80
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1=CC=C(Cl)C=C1	REAL300012718935	1	48	0.0	-67.38	405.53	7.55	-59.83
O=C([O-])C1CSCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718936	1	46	0.0	-76.13	363.16	7.98	-68.15
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCCCC1	REAL300012718937	1	51	0.0	-71.54	382.78	7.14	-64.40
O=C([O-])C1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718938	1	45	0.0	-76.59	352.04	6.84	-69.75
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCCC1	REAL300012718939	1	48	0.0	-74.73	367.69	6.00	-68.73
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCCCCC1	REAL300012718940	1	54	0.0	-72.27	388.44	7.81	-64.46
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718941	1	51	0.0	-69.50	411.70	7.94	-61.56
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718942	1	51	0.0	-56.14	410.20	9.75	-46.39
O=C([O-])[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1=CC=CC=C1	REAL300012718943	1	48	0.0	-68.75	389.17	7.08	-61.67
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1=CC=CC=C1	REAL300012718944	1	48	0.0	-71.46	389.39	6.99	-64.47
CCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718945	1	44	0.0	-70.38	353.27	4.93	-65.45
CC(C)C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718946	1	47	0.0	-68.13	370.31	5.50	-62.63
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718947	1	51	0.0	-69.50	411.70	7.94	-61.56
CCC(C)C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718948	1	50	0.0	-67.95	383.20	5.96	-61.99
O=C([O-])C1CCCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718949	1	48	0.0	-79.98	363.49	8.18	-71.80
CCCC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718950	1	50	0.0	-70.45	378.90	6.06	-64.39
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718951	1	47	0.0	-57.30	361.60	7.01	-50.29
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CC1	REAL300012718952	1	45	0.0	-72.83	352.21	7.03	-65.80
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718953	1	45	0.0	-56.05	364.01	7.31	-48.74
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718954	1	50	0.0	-55.68	387.11	7.81	-47.87
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718955	1	52	0.0	-78.25	400.80	9.98	-68.27
CC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718956	1	44	0.0	-57.97	344.01	4.31	-53.66
CC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)(C(=O)[O-])C1CC1	REAL300012718957	1	48	0.0	-69.39	366.90	6.06	-63.33
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1=CC=CS1	REAL300012718958	1	45	0.0	-66.84	380.82	6.16	-60.68
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCCCC1	REAL300012718959	1	51	0.0	-71.54	382.78	7.14	-64.40
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718960	1	47	0.0	-57.30	361.60	7.01	-50.29
CCCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718961	1	47	0.0	-56.34	372.70	7.50	-48.84
CCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718962	1	44	0.0	-67.30	351.20	6.75	-60.55
CC[C@H](C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718963	1	50	0.0	-70.68	383.78	5.93	-64.75
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCCC1	REAL300012718964	1	48	0.0	-74.73	367.69	6.00	-68.73
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718965	1	51	0.0	-54.04	416.60	9.82	-44.22
CCC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718966	1	47	0.0	-70.16	357.40	5.30	-64.86
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC2=CC=CC=C2C1	REAL300012718967	1	52	0.0	-70.76	407.38	8.18	-62.58
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1=CC(F)=CC=C1F	REAL300012718968	1	48	0.0	-71.68	400.23	7.15	-64.53
CC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012718969	1	51	0.0	-72.10	397.22	7.78	-64.32
CCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718970	1	44	0.0	-67.30	351.20	6.75	-60.55
CCCCCCC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718971	1	59	0.0	-70.63	443.40	8.39	-62.24
CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012718972	1	54	0.0	-66.81	420.27	9.87	-56.94
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1	REAL300012718973	1	42	0.0	-73.91	337.61	5.13	-68.78
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1=CC=C(Cl)C=C1	REAL300012718974	1	48	0.0	-67.38	405.53	7.55	-59.83
O=C([O-])C1COCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718975	1	46	0.0	-75.01	354.14	5.40	-69.61
CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1(C(=O)[O-])CCCCC1	REAL300012718976	1	54	0.0	-73.20	392.03	8.45	-64.75
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CC1	REAL300012718977	1	45	0.0	-70.75	363.02	5.47	-65.28
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718978	1	54	0.0	-57.39	432.60	10.53	-46.86
CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012718979	1	51	0.0	-68.83	398.13	8.80	-60.03
COCCN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718980	1	48	0.0	-56.81	382.57	5.93	-50.88
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCC2=CC=CC=C21	REAL300012718981	1	52	0.0	-76.41	404.45	8.12	-68.29
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718982	1	45	0.0	-77.06	352.79	6.53	-70.53
O=C([O-])[C@H]1CCCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718983	1	48	0.0	-78.96	362.95	7.85	-71.11
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718984	1	44	0.0	-64.03	343.22	5.94	-58.09
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718985	1	45	0.0	-73.85	352.04	6.84	-67.01
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCC1	REAL300012718986	1	45	0.0	-75.14	354.39	5.64	-69.50
C=CCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718987	1	45	0.0	-69.78	366.58	5.37	-64.41
CC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718988	1	48	0.0	-76.73	369.10	7.40	-69.33
O=C([O-])C1CCCCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718989	1	51	0.0	-76.24	377.84	8.80	-67.44
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CC1	REAL300012718990	1	45	0.0	-70.75	363.02	5.47	-65.28
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718991	1	44	0.0	-63.74	343.79	5.89	-57.85
CCCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718992	1	50	0.0	-70.23	396.26	6.47	-63.76
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718993	1	54	0.0	-57.39	432.60	10.53	-46.86
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012718994	1	48	0.0	-76.72	369.09	7.40	-69.32
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCCC1	REAL300012718995	1	51	0.0	-55.53	387.53	8.32	-47.21
COCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718996	1	45	0.0	-71.79	365.13	3.16	-68.63
CCCCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012718997	1	53	0.0	-69.77	416.93	7.27	-62.50
CCC1CCC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)(C(=O)[O-])CC1	REAL300012718998	1	57	0.0	-71.53	421.84	8.39	-63.14
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCOCC1	REAL300012718999	1	52	0.0	-56.19	395.96	6.65	-49.54
CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1(C(=O)[O-])CCCC1	REAL300012719000	1	51	0.0	-77.20	378.75	7.76	-69.44
CC(C(=O)[O-])N(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CC1	REAL300012719001	1	48	0.0	-64.11	362.16	7.03	-57.08
CCC(C(=O)[O-])N(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CC1	REAL300012719002	1	51	0.0	-53.31	390.25	8.43	-44.88
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1=CC=CC=C1Cl	REAL300012719003	1	48	0.0	-70.81	401.85	7.48	-63.33
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1=CC=CC=C1F	REAL300012719004	1	48	0.0	-74.69	393.85	7.10	-67.59
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719005	1	52	0.0	-54.91	404.47	9.46	-45.45
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719006	1	57	0.0	-68.43	433.60	8.13	-60.30
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719007	1	54	0.0	-55.61	418.46	10.37	-45.24
CC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])C=C1	REAL300012719008	1	51	0.0	-71.09	410.59	7.76	-63.33
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719009	1	44	0.0	-64.36	369.20	5.61	-58.75
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCSCC1	REAL300012719010	1	49	0.0	-67.92	380.48	6.83	-61.09
COCC(C)(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719011	1	48	0.0	-74.56	375.65	4.59	-69.97
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719012	1	51	0.0	-67.36	395.72	6.42	-60.94
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719013	1	50	0.0	-55.68	387.11	7.81	-47.87
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719014	1	57	0.0	-55.03	435.09	10.58	-44.45
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CC1	REAL300012719015	1	45	0.0	-72.83	352.21	7.03	-65.80
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719016	1	47	0.0	-56.57	390.83	7.88	-48.69
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCOC1	REAL300012719017	1	46	0.0	-69.74	358.91	3.42	-66.32
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCCCC1	REAL300012719018	1	54	0.0	-68.98	406.34	7.21	-61.77
CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(COC1CCC1)C(=O)[O-]	REAL300012719019	1	55	0.0	-68.44	422.47	7.70	-60.74
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719020	1	55	0.0	-79.07	428.53	10.94	-68.13
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCOCC1	REAL300012719021	1	49	0.0	-73.67	374.21	4.64	-69.03
C=CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719022	1	48	0.0	-69.31	386.75	6.27	-63.04
O=C([O-])C(CF)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719023	1	41	0.0	-57.39	334.89	3.94	-53.45
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719024	1	54	0.0	-43.25	419.46	10.84	-32.41
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719025	1	44	0.0	-63.74	343.79	5.89	-57.85
CCC(CC)(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719026	1	50	0.0	-71.52	374.08	6.19	-65.33
COC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])C=C1	REAL300012719027	1	52	0.0	-71.14	418.89	6.29	-64.85
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719028	1	50	0.0	-54.46	384.76	8.20	-46.26
CCC(COC)(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719029	1	51	0.0	-76.10	392.32	5.49	-70.61
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719030	1	54	0.0	-67.97	416.03	7.17	-60.80
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCS(=O)(=O)CC1	REAL300012719031	1	51	0.0	-73.00	399.32	3.13	-69.87
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719032	1	48	0.0	-69.80	384.63	6.54	-63.26
COCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719033	1	48	0.0	-70.01	386.11	4.00	-66.01
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719034	1	53	0.0	-68.12	402.64	8.52	-59.60
O=C([O-])C(CC(F)F)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719035	1	44	0.0	-65.43	363.89	5.45	-59.98
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719036	1	54	0.0	-76.80	403.89	9.37	-67.43
CCCN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(C)C(=O)[O-]	REAL300012719037	1	50	0.0	-50.49	383.44	8.39	-42.10
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719038	1	54	0.0	-69.17	422.14	10.54	-58.63
CCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012719039	1	54	0.0	-70.68	414.20	8.68	-62.00
COC1CCCC(C(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])C1	REAL300012719040	1	58	0.0	-73.78	439.46	6.13	-67.65
O=C([O-])C(CCF)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719041	1	44	0.0	-69.10	359.86	5.06	-64.04
COC1(CC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])CCC1	REAL300012719042	1	55	0.0	-72.96	423.37	6.22	-66.74
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCOCC1	REAL300012719043	1	52	0.0	-56.19	395.96	6.65	-49.54
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCCCC1	REAL300012719044	1	54	0.0	-51.07	404.93	9.02	-42.05
C[C@H]1CC[C@@](NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)(C(=O)[O-])CC1	REAL300012719045	1	54	0.0	-71.70	396.58	7.53	-64.17
COC1=CC=CC(C(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])=C1	REAL300012719046	1	52	0.0	-73.22	418.30	6.32	-66.90
CC(CCF)(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719047	1	47	0.0	-67.26	364.00	5.44	-61.82
O=C([O-])C1C2=C(CCN1C(=O)NCC1=CC=[NH+]C(N3CCCC3)=C1)OC=C2	REAL300012719048	1	49	0.0	-57.20	386.75	7.62	-49.58
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719049	1	45	0.0	-70.10	365.76	6.70	-63.40
COC1=CC=CC([C@H](NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])=C1	REAL300012719050	1	52	0.0	-73.73	418.93	6.29	-67.44
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719051	1	44	0.0	-66.25	343.36	6.00	-60.25
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300012719052	1	54	0.0	-75.00	419.23	7.87	-67.13
COC1=CC=CC(CC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])=C1	REAL300012719053	1	55	0.0	-72.87	441.15	7.25	-65.62
CC1(C)CCCC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)(C(=O)[O-])C1	REAL300012719054	1	57	0.0	-72.88	410.70	8.02	-64.86
O=C([O-])C12CC(C1)CN2C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719055	1	46	0.0	-78.62	357.13	7.47	-71.15
COC1CN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(C)(C(=O)[O-])C1	REAL300012719056	1	52	0.0	-73.98	402.42	6.37	-67.61
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719057	1	55	0.0	-69.25	420.43	6.44	-62.81
CC(C)(C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719058	1	50	0.0	-71.66	384.06	6.04	-65.62
C=C(Cl)CC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719059	1	45	0.0	-70.45	381.70	6.00	-64.45
C=C(C)CC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719060	1	48	0.0	-70.37	387.12	6.12	-64.25
O=C([O-])C12CCC(CC1)N2C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719061	1	49	0.0	-83.22	373.82	8.30	-74.92
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719062	1	45	0.0	-67.65	365.02	7.01	-60.64
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719063	1	45	0.0	-74.61	358.30	6.87	-67.74
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300012719064	1	46	0.0	-76.92	366.20	6.92	-70.00
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719065	1	55	0.0	-71.75	424.49	5.81	-65.94
CC(C)C[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719066	1	50	0.0	-70.36	391.71	6.32	-64.04
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCOCC1	REAL300012719067	1	52	0.0	-74.22	398.34	4.71	-69.51
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1=CC=CC=C1	REAL300012719068	1	48	0.0	-71.46	389.39	6.99	-64.47
O=C([O-])C(CC1CC1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719069	1	48	0.0	-69.80	384.63	6.54	-63.26
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719070	1	47	0.0	-68.12	398.19	5.14	-62.98
CC(C)CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719071	1	56	0.0	-70.25	435.33	7.76	-62.49
O=C([O-])C(CC1CCCO1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719072	1	52	0.0	-71.73	409.21	5.38	-66.35
CSCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719073	1	45	0.0	-67.45	376.74	5.34	-62.11
COC[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719074	1	45	0.0	-71.56	364.99	3.21	-68.35
CC[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719075	1	44	0.0	-69.77	352.43	4.94	-64.83
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719076	1	51	0.0	-67.24	417.86	8.07	-59.17
CCC(C)CC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719077	1	53	0.0	-70.67	410.20	6.88	-63.79
C=CCCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719078	1	51	0.0	-69.76	409.08	7.03	-62.73
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719079	1	51	0.0	-69.88	418.05	8.02	-61.86
O=C([O-])C1CSCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719080	1	46	0.0	-76.13	363.16	7.98	-68.15
CC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012719081	1	51	0.0	-72.10	397.22	7.78	-64.32
O=C([O-])[C@H]1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719082	1	45	0.0	-77.06	352.79	6.53	-70.53
CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719083	1	47	0.0	-69.73	373.93	5.70	-64.03
CC(C)[C@@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719084	1	47	0.0	-68.11	370.30	5.51	-62.60
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719085	1	49	0.0	-81.79	373.28	8.44	-73.35
CCN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(C)(C)C(=O)[O-]	REAL300012719086	1	50	0.0	-70.80	377.86	7.63	-63.17
CCCN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(C)C(=O)[O-]	REAL300012719087	1	50	0.0	-50.49	383.44	8.39	-42.10
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719088	1	44	0.0	-63.62	365.81	7.25	-56.37
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719089	1	44	0.0	-63.62	365.81	7.25	-56.37
CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(C)(C)C(=O)[O-]	REAL300012719090	1	47	0.0	-70.85	357.97	6.90	-63.95
O=C([O-])[C@@H]1CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719091	1	45	0.0	-73.85	352.04	6.84	-67.01
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719092	1	57	0.0	-57.15	439.54	5.22	-51.93
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719093	1	46	0.0	-79.17	364.04	3.15	-76.02
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719094	1	52	0.0	-53.00	407.78	9.78	-43.22
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)[C@H]1C(=O)[O-]	REAL300012719095	1	55	0.0	-61.26	415.91	9.99	-51.27
CCC[C@@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719096	1	47	0.0	-67.20	374.52	5.75	-61.45
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719097	1	53	0.0	-69.19	409.24	8.17	-61.02
O=C([O-])[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1=CC=CC=C1	REAL300012719098	1	48	0.0	-68.75	389.17	7.08	-61.67
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719099	1	53	0.0	-69.73	429.55	6.95	-62.78
C=CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719100	1	48	0.0	-69.31	386.75	6.27	-63.04
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719101	1	47	0.0	-70.97	398.21	4.94	-66.03
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719102	1	48	0.0	-85.46	382.68	4.43	-81.03
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1=O	REAL300012719103	1	49	0.0	-70.29	380.24	6.09	-64.20
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719104	1	48	0.0	-76.67	369.12	7.39	-69.28
CC(C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719105	1	47	0.0	-69.47	364.39	5.23	-64.24
O=C([O-])[C@@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1=CC=CC=C1	REAL300012719106	1	48	0.0	-71.42	389.40	6.99	-64.43
CC(CN1C=CC=N1)(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719107	1	51	0.0	-71.19	403.13	6.39	-64.80
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719108	1	44	0.0	-66.25	343.36	6.00	-60.25
CCC[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719109	1	47	0.0	-69.91	374.52	5.75	-64.16
CCN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(C)C(=O)[O-]	REAL300012719110	1	47	0.0	-64.18	360.47	6.67	-57.51
O=C([O-])CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCCC1	REAL300012719111	1	51	0.0	-55.53	387.53	8.32	-47.21
CC(CN(C)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719112	1	47	0.0	-69.85	363.62	6.41	-63.44
CC[C@H](C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719113	1	50	0.0	-70.68	383.78	5.93	-64.75
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719114	1	47	0.0	-66.32	364.74	7.07	-59.25
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC(CO)C1	REAL300012719115	1	49	0.0	-80.06	384.93	2.82	-77.24
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719116	1	57	0.0	-72.20	436.55	6.23	-65.97
CC1CCC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)(C(=O)[O-])C1	REAL300012719117	1	51	0.0	-71.95	389.34	6.66	-65.29
CC1(C)CCCC1(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719118	1	54	0.0	-72.58	397.20	7.28	-65.30
COCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719119	1	48	0.0	-70.01	386.11	4.00	-66.01
CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012719120	1	54	0.0	-66.81	420.27	9.87	-56.94
CC1(C)CC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)(C(=O)[O-])C1	REAL300012719121	1	51	0.0	-73.45	390.82	7.35	-66.10
CC1(C(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])CC1	REAL300012719122	1	48	0.0	-70.27	376.86	6.28	-63.99
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719123	1	57	0.0	-69.56	437.24	6.22	-63.34
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719124	1	46	0.0	-82.79	362.71	3.32	-79.47
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCOC1	REAL300012719125	1	49	0.0	-67.83	380.04	3.97	-63.86
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719126	1	49	0.0	-78.48	373.73	7.99	-70.49
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1=CNC2=CC=CC=C21	REAL300012719127	1	52	0.0	-76.39	421.10	7.14	-69.25
O=C([O-])C12COC(CN1C(=O)NCC1=CC=[NH+]C(N3CCCC3)=C1)C2	REAL300012719128	1	47	0.0	-76.58	366.65	5.67	-70.91
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300012719129	1	51	0.0	-80.14	379.73	9.02	-71.12
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719130	1	54	0.0	-68.76	428.43	8.35	-60.41
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719131	1	55	0.0	-67.81	421.49	8.74	-59.07
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCC1	REAL300012719132	1	48	0.0	-68.00	372.93	5.89	-62.11
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCCCC1	REAL300012719133	1	54	0.0	-68.98	406.34	7.21	-61.77
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCC1	REAL300012719134	1	48	0.0	-68.00	372.93	5.89	-62.11
CC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1C(=O)[O-]	REAL300012719135	1	48	0.0	-78.17	373.31	7.15	-71.02
C=CCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719136	1	45	0.0	-69.78	366.58	5.37	-64.41
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719137	1	55	0.0	-73.62	426.62	6.11	-67.51
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719138	1	55	0.0	-44.88	399.13	8.67	-36.21
CC1(C)CC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)(C(=O)[O-])CCO1	REAL300012719139	1	55	0.0	-71.83	403.35	5.96	-65.87
CC1=CC=CC2=C1CCN(C(=O)NCC1=CC=[NH+]C(N3CCCC3)=C1)C2C(=O)[O-]	REAL300012719140	1	55	0.0	-60.39	421.74	9.99	-50.40
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719141	1	49	0.0	-53.44	375.43	7.84	-45.60
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719142	1	55	0.0	-67.81	421.49	8.74	-59.07
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719143	1	51	0.0	-67.24	417.21	8.02	-59.22
COC1CC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)(C(=O)[O-])C1	REAL300012719144	1	49	0.0	-70.98	386.00	4.51	-66.47
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC(F)(F)C1	REAL300012719145	1	45	0.0	-71.16	362.82	5.67	-65.49
CO[C@H]1C[C@](NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)(C(=O)[O-])C1	REAL300012719146	1	49	0.0	-68.83	385.86	4.51	-64.32
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1(C(F)(F)F)CC1	REAL300012719147	1	48	0.0	-70.61	393.39	6.67	-63.94
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719148	1	51	0.0	-74.52	384.91	8.54	-65.98
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719149	1	44	0.0	-64.36	369.20	5.61	-58.75
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719150	1	52	0.0	-71.62	408.13	4.99	-66.63
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)COC1	REAL300012719151	1	43	0.0	-66.84	345.21	2.68	-64.16
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719152	1	48	0.0	-71.07	402.74	7.00	-64.07
COCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012719153	1	55	0.0	-69.03	430.40	7.00	-62.03
CC(C)C(C)(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719154	1	50	0.0	-70.94	372.33	5.93	-65.01
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719155	1	46	0.0	-79.92	359.06	7.99	-71.93
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719156	1	49	0.0	-75.94	375.34	7.61	-68.33
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719157	1	54	0.0	-69.17	422.14	10.54	-58.63
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719158	1	57	0.0	-68.43	433.60	8.13	-60.30
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719159	1	54	0.0	-71.42	434.67	8.71	-62.71
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719160	1	54	0.0	-68.46	434.43	8.78	-59.68
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CC2CCC1C2	REAL300012719161	1	55	0.0	-69.97	415.98	7.77	-62.20
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719162	1	57	0.0	-67.93	433.37	8.21	-59.72
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719163	1	57	0.0	-71.18	433.59	8.14	-63.04
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719164	1	55	0.0	-46.73	413.80	8.81	-37.92
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719165	1	55	0.0	-78.99	411.78	8.75	-70.24
COC1=CC=C(CC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])C=C1	REAL300012719166	1	55	0.0	-71.33	441.13	7.24	-64.09
C=CCSCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719167	1	49	0.0	-66.81	410.34	6.83	-59.98
N#CC1=CC=C(CC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])C=C1	REAL300012719168	1	52	0.0	-70.46	431.62	8.34	-62.12
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719169	1	50	0.0	-68.22	378.25	7.74	-60.48
COC1(C(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])CCC1	REAL300012719170	1	52	0.0	-67.15	400.84	4.55	-62.60
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCC(C(F)F)CC1	REAL300012719171	1	54	0.0	-72.45	415.19	7.97	-64.48
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCC2=CC=CC=C2C1	REAL300012719172	1	55	0.0	-74.61	420.70	9.06	-65.55
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC(C(F)F)C1	REAL300012719173	1	48	0.0	-70.59	388.35	6.53	-64.06
CC(C)C1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])C=C1	REAL300012719175	1	57	0.0	-70.69	449.41	9.01	-61.68
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719176	1	45	0.0	-74.61	358.30	6.87	-67.74
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719177	1	47	0.0	-52.89	367.58	7.61	-45.28
CC1(C)CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1C(=O)[O-]	REAL300012719178	1	51	0.0	-77.67	384.35	7.79	-69.88
CCOC1=CC=C(C(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C(=O)[O-])C=C1	REAL300012719179	1	55	0.0	-68.87	440.77	7.23	-61.64
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719180	1	55	0.0	-77.74	408.54	9.51	-68.23
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCC2=CC=CC=C21	REAL300012719181	1	55	0.0	-72.19	430.90	9.44	-62.75
CC(COC1=CC=CC=C1)(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719182	1	55	0.0	-74.10	431.85	8.05	-66.05
CC(C)CCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719183	1	53	0.0	-69.91	413.00	7.00	-62.91
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719184	1	52	0.0	-46.95	398.90	8.34	-38.61
O=C([O-])C(CC1CCOC1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719185	1	52	0.0	-71.62	408.13	4.99	-66.63
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300012719186	1	49	0.0	-74.71	395.12	8.01	-66.70
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCCC2CC21	REAL300012719187	1	52	0.0	-71.16	391.34	7.52	-63.64
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCC2CC21	REAL300012719188	1	49	0.0	-76.11	375.76	6.87	-69.24
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC2(CCC2)C1	REAL300012719189	1	52	0.0	-71.69	397.02	7.26	-64.43
CN(C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012719190	1	54	0.0	-67.62	422.30	9.91	-57.71
O=C([O-])C1CC2(CN1C(=O)NCC1=CC=[NH+]C(N3CCCC3)=C1)CCCCC2	REAL300012719191	1	58	0.0	-46.80	427.96	9.31	-37.49
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCCC1	REAL300012719192	1	51	0.0	-68.30	389.43	6.51	-61.79
CO[C@H](C)[C@H](NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719193	1	48	0.0	-71.11	382.78	4.17	-66.94
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719194	1	48	0.0	-72.04	367.59	6.18	-65.86
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719195	1	51	0.0	-56.14	410.20	9.75	-46.39
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300012719196	1	51	0.0	-47.07	391.89	7.64	-39.43
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719197	1	48	0.0	-75.92	374.35	7.97	-67.95
O=C([O-])C1N(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCC1(F)F	REAL300012719198	1	45	0.0	-76.51	361.88	7.03	-69.48
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719199	1	51	0.0	-67.24	417.21	8.02	-59.22
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719200	1	48	0.0	-67.49	402.28	6.94	-60.55
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719201	1	48	0.0	-69.35	381.21	7.51	-61.84
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC2(CC(F)(F)C2)C1	REAL300012719202	1	52	0.0	-72.94	416.45	7.67	-65.27
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719203	1	48	0.0	-67.49	402.28	6.94	-60.55
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719204	1	52	0.0	-76.86	390.76	7.94	-68.92
COCCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719205	1	51	0.0	-69.59	408.44	4.76	-64.83
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719206	1	50	0.0	-67.04	385.15	7.86	-59.18
CCOCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719207	1	48	0.0	-72.14	386.98	4.14	-68.00
CC(C)(C)CC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719208	1	53	0.0	-68.29	403.98	7.33	-60.96
O=C([O-])C(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CCCCO1	REAL300012719209	1	52	0.0	-73.10	404.02	5.47	-67.63
O=C([O-])C1(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC2=CC=CC=C2C1	REAL300012719210	1	52	0.0	-70.76	407.38	8.18	-62.58
C[C@H]1OCCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)[C@@H]1C(=O)[O-]	REAL300012719211	1	49	0.0	-76.06	374.01	6.17	-69.89
N#CCCC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300012719212	1	45	0.0	-71.27	373.29	5.44	-65.83
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719213	1	48	0.0	-57.06	391.86	7.89	-49.17
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300012719214	1	44	0.0	-64.03	343.22	5.94	-58.09
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300012719215	1	52	0.0	-73.41	406.11	6.83	-66.58
COC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=N1	REAL300012719342	0	53	0.0	-62.61	418.27	4.13	-58.48
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(C3CCC3)C=C2)CC1	REAL300012719638	0	60	0.0	-62.84	456.94	10.01	-52.83
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CN3CCSC3=N2)CC1	REAL300012719948	0	55	0.0	-70.61	433.45	7.20	-63.41
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CC(OC(C)(C)C)C2)CC1	REAL300012720330	0	66	0.0	-63.14	491.64	8.35	-54.79
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720930	0	60	0.0	-68.81	444.79	11.34	-57.47
C=CCOCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720931	0	59	0.0	-69.32	455.08	9.96	-59.36
C=CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720932	0	58	0.0	-55.34	437.44	11.25	-44.09
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012720933	0	61	0.0	-73.48	438.68	13.63	-59.85
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012720934	0	57	0.0	-57.29	426.56	12.69	-44.60
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C1CCC1	REAL300012720935	0	61	0.0	-62.86	441.47	12.21	-50.65
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(CC)C(=O)[O-]	REAL300012720936	0	63	0.0	-54.71	452.12	13.59	-41.12
CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720937	0	57	0.0	-57.34	419.35	10.42	-46.92
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012720938	0	58	0.0	-73.99	418.57	13.33	-60.66
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012720939	0	56	0.0	-76.85	420.05	12.21	-64.64
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012720940	0	61	0.0	-59.09	438.01	12.38	-46.71
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012720941	0	55	0.0	-72.57	405.75	11.87	-60.70
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012720942	0	58	0.0	-59.35	423.38	11.31	-48.04
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC(=O)[O-])CC1	REAL300012720943	0	48	0.0	-54.40	365.85	8.32	-46.08
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012720944	0	58	0.0	-59.04	443.53	12.17	-46.87
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012720945	0	58	0.0	-58.96	443.42	12.15	-46.81
CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720946	0	54	0.0	-57.43	407.27	10.09	-47.34
CC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720947	0	57	0.0	-57.34	419.35	10.42	-46.92
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)CC(=O)[O-])CC1	REAL300012720948	0	51	0.0	-56.26	382.10	10.87	-45.39
CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720949	0	51	0.0	-56.83	386.65	9.15	-47.68
CCC(C)C(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720950	0	60	0.0	-56.99	437.51	11.12	-45.87
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)CC(=O)[O-])CC1	REAL300012720951	0	51	0.0	-56.26	382.10	10.87	-45.39
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012720952	0	58	0.0	-73.99	418.57	13.33	-60.66
CCCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720953	0	60	0.0	-68.58	434.10	11.30	-57.28
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012720954	0	57	0.0	-61.93	419.79	11.49	-50.44
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012720955	0	55	0.0	-62.08	412.77	11.47	-50.61
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012720956	0	55	0.0	-56.93	417.90	12.49	-44.44
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012720957	0	60	0.0	-56.23	438.92	13.17	-43.06
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012720958	0	54	0.0	-53.92	399.21	9.55	-44.37
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012720959	0	58	0.0	-57.51	422.14	11.26	-46.25
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012720960	0	61	0.0	-59.09	438.01	12.38	-46.71
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012720961	0	57	0.0	-61.93	419.79	11.49	-50.44
CCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012720962	0	57	0.0	-57.29	426.56	12.69	-44.60
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012720963	0	54	0.0	-56.22	403.84	11.84	-44.38
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720964	0	60	0.0	-68.11	438.06	11.10	-57.01
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012720965	0	58	0.0	-59.35	423.38	11.31	-48.04
CCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720966	0	57	0.0	-68.22	412.60	10.55	-57.67
C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720967	0	51	0.0	-56.76	386.54	9.16	-47.60
CCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012720968	0	54	0.0	-56.22	403.84	11.84	-44.38
C[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720969	0	51	0.0	-53.13	386.66	9.15	-43.98
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012720970	0	52	0.0	-71.89	392.83	10.37	-61.52
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012720971	0	56	0.0	-71.14	409.27	10.71	-60.43
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012720972	0	55	0.0	-56.87	411.61	10.56	-46.31
COCCN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012720973	0	58	0.0	-57.87	436.71	11.10	-46.77
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012720974	0	55	0.0	-64.04	410.33	11.03	-53.01
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012720975	0	58	0.0	-77.00	420.47	12.19	-64.81
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012720976	0	54	0.0	-56.29	397.70	11.10	-45.19
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012720977	0	55	0.0	-74.69	410.08	11.40	-63.29
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012720978	0	55	0.0	-64.24	409.39	10.78	-53.46
C=CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720979	0	55	0.0	-69.96	419.94	10.34	-59.62
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012720980	0	58	0.0	-73.61	422.47	12.42	-61.19
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012720981	0	61	0.0	-82.81	433.27	12.84	-69.97
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012720982	0	55	0.0	-56.87	411.61	10.56	-46.31
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012720983	0	54	0.0	-54.25	397.03	11.12	-43.13
CCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720984	0	60	0.0	-56.62	450.17	11.69	-44.93
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012720985	0	58	0.0	-73.61	422.62	12.40	-61.21
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012720986	0	61	0.0	-57.33	441.48	13.51	-43.82
COCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720987	0	55	0.0	-69.49	420.33	8.40	-61.09
CCCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720988	0	63	0.0	-56.42	471.67	12.47	-43.95
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012720989	0	61	0.0	-76.28	432.58	12.93	-63.35
CC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C1CC1	REAL300012720990	0	58	0.0	-59.05	419.58	11.35	-47.70
CCC(C(=O)[O-])N(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C1CC1	REAL300012720991	0	61	0.0	-45.40	447.29	12.75	-32.65
COCC(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720992	0	58	0.0	-72.51	430.85	9.82	-62.69
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012720993	0	61	0.0	-55.66	449.00	11.46	-44.20
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012720994	0	60	0.0	-56.23	438.92	13.17	-43.06
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012720995	0	55	0.0	-62.08	412.77	11.47	-50.61
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012720996	0	56	0.0	-66.72	414.11	8.68	-58.04
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012720997	0	59	0.0	-58.57	429.33	9.91	-48.66
C=CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012720998	0	58	0.0	-56.38	441.48	11.47	-44.91
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012720999	0	51	0.0	-53.14	390.27	9.15	-43.99
CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012721000	0	54	0.0	-54.25	397.03	11.12	-43.13
CCC(CC)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721001	0	60	0.0	-69.75	425.66	11.25	-58.50
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012721002	0	60	0.0	-55.74	431.66	13.31	-42.43
CCC(COC)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721003	0	61	0.0	-74.34	444.01	10.56	-63.78
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012721004	0	58	0.0	-68.14	437.06	11.61	-56.53
COCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721005	0	58	0.0	-56.74	440.84	9.21	-47.53
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012721006	0	63	0.0	-67.57	454.50	13.47	-54.10
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012721007	0	54	0.0	-52.31	417.79	10.67	-41.64
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012721008	0	60	0.0	-58.88	439.42	11.81	-47.07
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012721009	0	54	0.0	-56.25	413.86	10.22	-46.03
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012721010	0	57	0.0	-65.65	419.19	10.69	-54.96
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012721011	0	55	0.0	-58.87	423.84	11.24	-47.63
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012721012	0	54	0.0	-63.21	397.45	11.15	-52.06
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012721013	0	56	0.0	-71.28	412.75	12.63	-58.65
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012721014	0	60	0.0	-68.70	433.78	11.29	-57.41
C=C(Cl)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721015	0	55	0.0	-73.95	438.19	10.24	-63.71
C=C(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721016	0	58	0.0	-74.10	443.61	10.36	-63.74
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012721017	0	59	0.0	-82.74	430.43	12.50	-70.24
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012721018	0	55	0.0	-67.13	422.54	11.52	-55.61
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012721019	0	55	0.0	-73.31	416.53	11.48	-61.83
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(C)CC2)C1	REAL300012721020	0	56	0.0	-80.20	422.72	11.15	-69.05
CC(C)C[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721021	0	60	0.0	-68.81	444.79	11.34	-57.47
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012721022	0	58	0.0	-58.96	443.42	12.15	-46.81
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012721023	0	58	0.0	-68.14	437.06	11.61	-56.53
CSCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721024	0	55	0.0	-65.12	429.25	10.42	-54.70
COC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721025	0	55	0.0	-69.29	419.85	8.39	-60.90
CC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721026	0	54	0.0	-67.75	406.61	10.05	-57.70
CCC(C)CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721027	0	63	0.0	-57.88	464.07	12.03	-45.85
C=CCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721028	0	61	0.0	-56.59	462.98	12.25	-44.34
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012721029	0	56	0.0	-76.85	420.05	12.21	-64.64
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012721030	0	55	0.0	-64.04	410.33	11.03	-53.01
CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721031	0	57	0.0	-56.73	428.67	10.91	-45.82
CC(C)[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721032	0	57	0.0	-59.29	425.28	10.64	-48.65
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012721033	0	59	0.0	-77.45	427.43	13.55	-63.90
CCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(C)(C)C(=O)[O-]	REAL300012721034	0	60	0.0	-73.06	431.26	12.91	-60.15
CCCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012721035	0	60	0.0	-58.88	439.42	11.81	-47.07
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012721036	0	57	0.0	-71.75	411.68	12.05	-59.70
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012721037	0	55	0.0	-74.69	410.08	11.40	-63.29
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012721038	0	56	0.0	-65.42	421.60	7.65	-57.77
CCC[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721039	0	57	0.0	-56.62	428.68	10.91	-45.71
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012721040	0	58	0.0	-59.04	443.53	12.17	-46.87
C=CCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721041	0	58	0.0	-56.38	441.48	11.47	-44.91
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012721042	0	58	0.0	-63.08	426.65	11.90	-51.18
CC(C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721043	0	57	0.0	-68.34	421.18	10.49	-57.85
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012721044	0	58	0.0	-67.03	444.62	12.23	-54.80
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012721045	0	54	0.0	-63.21	397.45	11.15	-52.06
CCC[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721046	0	57	0.0	-67.39	427.08	10.80	-56.59
CCN(C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(C)C(=O)[O-]	REAL300012721047	0	57	0.0	-54.81	414.41	11.85	-42.96
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012721048	0	61	0.0	-57.33	441.48	13.51	-43.82
CC(CN(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721049	0	57	0.0	-65.37	417.51	11.59	-53.78
CC[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721050	0	60	0.0	-68.11	438.06	11.10	-57.01
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012721051	0	57	0.0	-66.34	416.53	12.12	-54.22
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012721052	0	59	0.0	-62.23	441.86	8.18	-54.05
CC1CCC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012721053	0	61	0.0	-60.27	444.58	11.88	-48.39
COCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721054	0	58	0.0	-56.74	440.84	9.21	-47.53
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012721055	0	61	0.0	-62.20	445.95	12.61	-49.59
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012721056	0	58	0.0	-60.91	431.85	11.42	-49.49
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012721057	0	56	0.0	-67.33	416.20	8.48	-58.85
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012721058	0	59	0.0	-54.95	434.64	9.08	-45.87
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012721059	0	59	0.0	-78.47	426.86	13.14	-65.33
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012721060	0	57	0.0	-71.23	417.60	10.78	-60.45
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012721061	0	61	0.0	-74.06	439.43	13.87	-60.19
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012721062	0	58	0.0	-56.62	427.12	11.02	-45.60
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012721063	0	58	0.0	-56.62	427.12	11.02	-45.60
CC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(C)CC2)C1C(=O)[O-]	REAL300012721064	0	58	0.0	-65.83	421.04	12.07	-53.76
C=CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721065	0	55	0.0	-69.96	419.94	10.34	-59.62
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012721066	0	59	0.0	-38.40	430.08	12.33	-26.07
COC1CC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012721067	0	59	0.0	-64.06	442.99	9.85	-54.21
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012721068	0	55	0.0	-60.34	418.03	10.92	-49.42
CO[C@H]1C[C@](NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(C)CC2)(C(=O)[O-])C1	REAL300012721069	0	59	0.0	-75.28	442.86	9.13	-66.15
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012721070	0	61	0.0	-60.62	437.28	13.50	-47.12
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012721071	0	53	0.0	-56.43	400.42	7.92	-48.51
CC(C)C(C)(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721072	0	60	0.0	-57.22	429.42	11.20	-46.02
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012721073	0	56	0.0	-78.15	414.98	12.27	-65.88
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012721074	0	59	0.0	-65.04	433.33	12.17	-52.87
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012721075	0	60	0.0	-54.63	430.67	12.86	-41.77
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012721076	0	55	0.0	-73.31	416.53	11.48	-61.83
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012721077	0	57	0.0	-55.35	420.44	12.74	-42.61
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012721078	0	61	0.0	-63.78	441.81	12.64	-51.14
CC(C)CCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721079	0	63	0.0	-56.65	467.73	12.21	-44.44
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012721080	0	62	0.0	-55.54	452.64	13.41	-42.13
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012721081	0	62	0.0	-75.22	439.50	12.81	-62.41
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012721082	0	59	0.0	-76.48	428.72	11.98	-64.50
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012721083	0	62	0.0	-59.88	452.24	12.50	-47.38
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012721084	0	61	0.0	-58.32	450.75	11.78	-46.54
CO[C@H](C)[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721085	0	58	0.0	-70.76	436.91	9.19	-61.57
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721086	0	58	0.0	-64.98	431.51	11.92	-53.06
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012721087	0	61	0.0	-38.87	445.83	11.79	-27.08
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012721088	0	55	0.0	-76.20	417.24	11.98	-64.22
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012721089	0	62	0.0	-65.90	448.09	12.70	-53.20
COCCCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721090	0	61	0.0	-56.45	462.34	9.98	-46.47
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012721091	0	60	0.0	-67.22	438.37	12.90	-54.32
CCOCC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300012721092	0	58	0.0	-69.71	441.69	9.37	-60.34
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012721093	0	63	0.0	-75.02	459.13	11.69	-63.33
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012721094	0	59	0.0	-68.48	431.55	10.67	-57.81
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012721095	0	55	0.0	-58.44	428.17	10.58	-47.86
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012721096	0	58	0.0	-56.71	445.76	13.08	-43.63
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300012721097	0	54	0.0	-56.29	397.70	11.10	-45.19
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CN=CS2)CC1	REAL300012721208	0	49	0.0	-59.94	392.22	5.19	-54.75
CC(C)C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721309	0	51	0.0	-73.34	381.38	7.65	-65.69
C=CCOCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721310	0	50	0.0	-76.72	389.17	6.15	-70.57
C=CC(C)C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721311	0	49	0.0	-74.23	368.91	7.18	-67.05
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1CCOCC1	REAL300012721312	0	53	0.0	-76.65	387.76	6.09	-70.56
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=C(F)C(F)=C1	REAL300012721313	0	49	0.0	-68.55	391.53	8.50	-60.05
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=C(Cl)C(F)=C1	REAL300012721314	0	49	0.0	-67.94	400.81	8.98	-58.96
COC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C(C(=O)[O-])C1	REAL300012721315	0	53	0.0	-85.57	382.89	8.34	-77.23
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCOC1	REAL300012721316	0	53	0.0	-73.74	387.16	6.12	-67.62
CC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C(C(=O)[O-])C1	REAL300012721317	0	52	0.0	-84.41	366.40	9.56	-74.85
CC1=CC(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])=CC=C1F	REAL300012721318	0	52	0.0	-72.59	405.56	9.08	-63.51
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=C2OCCC2=C1	REAL300012721319	0	54	0.0	-75.40	414.75	8.22	-67.18
CC1=CC(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])=CC(C)=C1	REAL300012721320	0	55	0.0	-76.84	421.69	9.71	-67.13
CC1=CC=C(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1C	REAL300012721321	0	55	0.0	-75.13	416.64	9.62	-65.51
COC1=CC=C(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1Cl	REAL300012721322	0	53	0.0	-71.84	424.34	8.24	-63.60
CC1=CC=CC(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])=C1C	REAL300012721323	0	55	0.0	-74.13	408.27	9.46	-64.67
COC1=CC=C(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1F	REAL300012721324	0	53	0.0	-72.14	414.54	7.75	-64.39
CC(C(=O)[O-])N(C(=O)NCC1CC[NH+](C2CC2)CC1)C1CCC1	REAL300012721325	0	52	0.0	-58.58	374.87	9.26	-49.32
CCCN(C(=O)NCC1CC[NH+](C2CC2)CC1)C(COC)C(=O)[O-]	REAL300012721326	0	55	0.0	-73.46	399.71	8.46	-65.00
CCCN(C(=O)NCC1CC[NH+](C2CC2)CC1)C(CC)C(=O)[O-]	REAL300012721327	0	54	0.0	-71.72	388.39	9.74	-61.98
O=C([O-])C1CCCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721328	0	49	0.0	-85.54	352.81	9.51	-76.03
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=C(Cl)C=C1	REAL300012721329	0	49	0.0	-71.00	395.55	8.90	-62.10
O=C([O-])C1CSCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721330	0	47	0.0	-81.74	356.78	9.45	-72.29
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCCCC1	REAL300012721331	0	52	0.0	-77.12	372.24	8.52	-68.60
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCCC1	REAL300012721332	0	49	0.0	-78.98	357.69	7.42	-71.56
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCCCCC1	REAL300012721333	0	55	0.0	-77.87	377.90	9.18	-68.69
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721334	0	52	0.0	-76.50	400.87	9.39	-67.11
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721335	0	52	0.0	-58.34	399.61	11.13	-47.21
O=C([O-])[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1	REAL300012721336	0	49	0.0	-75.71	378.62	8.47	-67.24
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1	REAL300012721337	0	49	0.0	-74.12	378.21	8.41	-65.71
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721338	0	52	0.0	-76.50	400.87	9.39	-67.11
CCC(C)C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721339	0	51	0.0	-72.70	372.27	7.25	-65.45
O=C([O-])C1CCCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721340	0	49	0.0	-85.54	352.81	9.51	-76.03
CCCC(C)(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721341	0	51	0.0	-75.10	368.32	7.45	-67.65
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721342	0	51	0.0	-57.44	376.53	9.18	-48.26
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721343	0	53	0.0	-85.05	390.42	11.37	-73.68
CC(NC(=O)NCC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1CC1	REAL300012721344	0	49	0.0	-76.69	356.32	7.43	-69.26
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=CS1	REAL300012721345	0	46	0.0	-72.17	369.86	7.50	-64.67
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCCCC1	REAL300012721346	0	52	0.0	-77.12	372.24	8.52	-68.60
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721347	0	52	0.0	-55.87	416.34	11.65	-44.22
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721348	0	56	0.0	-76.21	430.16	9.39	-66.82
CC[C@H](C)[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721349	0	51	0.0	-73.96	373.93	7.27	-66.69
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCCC1	REAL300012721350	0	49	0.0	-78.98	357.69	7.42	-71.56
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721351	0	52	0.0	-56.07	406.02	11.19	-44.88
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC2=CC=CC=C2C1	REAL300012721352	0	53	0.0	-78.96	398.41	9.69	-69.27
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC(F)=CC=C1F	REAL300012721353	0	49	0.0	-75.19	389.45	8.60	-66.59
CC(NC(=O)NCC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012721354	0	52	0.0	-75.61	386.64	9.16	-66.45
CCCCCCC(C)(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721355	0	60	0.0	-75.31	432.82	9.78	-65.53
CN(C(=O)NCC1CC[NH+](C2CC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012721356	0	55	0.0	-73.87	409.69	11.25	-62.62
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=C(Cl)C=C1	REAL300012721357	0	49	0.0	-71.00	395.55	8.90	-62.10
O=C([O-])C1COCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721358	0	47	0.0	-81.30	348.37	7.03	-74.27
CN(C(=O)NCC1CC[NH+](C2CC2)CC1)C1(C(=O)[O-])CCCCC1	REAL300012721359	0	55	0.0	-78.86	381.46	9.84	-69.02
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721360	0	55	0.0	-59.17	422.02	11.90	-47.27
CN(C(=O)NCC1CC[NH+](C2CC2)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012721361	0	52	0.0	-79.86	389.24	9.92	-69.94
COCCN(CC(=O)[O-])C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721362	0	49	0.0	-58.82	371.99	7.30	-51.52
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCC2=CC=CC=C21	REAL300012721363	0	53	0.0	-80.15	393.87	9.51	-70.64
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721364	0	49	0.0	-84.18	352.33	9.24	-74.94
CC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721365	0	49	0.0	-79.47	358.52	8.78	-70.69
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721366	0	56	0.0	-83.40	434.77	9.33	-74.07
O=C([O-])C1CCCCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721367	0	52	0.0	-80.96	367.48	10.09	-70.87
CCCCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721368	0	51	0.0	-74.55	385.69	7.86	-66.69
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721369	0	55	0.0	-59.17	422.02	11.90	-47.27
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721370	0	49	0.0	-79.55	358.57	8.76	-70.79
O=C([O-])CN(C(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCC1	REAL300012721371	0	52	0.0	-60.08	376.97	9.69	-50.39
CCCCCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721372	0	54	0.0	-74.50	407.18	8.64	-65.86
CCC1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)(C(=O)[O-])CC1	REAL300012721373	0	58	0.0	-79.16	411.28	9.78	-69.38
O=C([O-])CN(C(=O)NCC1CC[NH+](C2CC2)CC1)C1CCOCC1	REAL300012721374	0	53	0.0	-57.74	385.40	8.02	-49.72
CN(C(=O)NCC1CC[NH+](C2CC2)CC1)C1(C(=O)[O-])CCCC1	REAL300012721375	0	52	0.0	-79.81	368.14	9.13	-70.68
CC(C(=O)[O-])N(C(=O)NCC1CC[NH+](C2CC2)CC1)C1CC1	REAL300012721376	0	49	0.0	-62.04	363.49	8.91	-53.13
CCC(C(=O)[O-])N(C(=O)NCC1CC[NH+](C2CC2)CC1)C1CC1	REAL300012721377	0	52	0.0	-58.27	384.97	10.20	-48.07
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1Cl	REAL300012721378	0	49	0.0	-75.94	389.60	8.85	-67.09
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1F	REAL300012721379	0	49	0.0	-79.79	383.01	8.54	-71.25
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721380	0	53	0.0	-60.37	393.80	10.80	-49.57
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721381	0	52	0.0	-79.59	416.31	9.71	-69.88
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721382	0	58	0.0	-80.30	444.64	11.45	-68.85
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721383	0	58	0.0	-75.54	423.01	9.51	-66.03
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721384	0	55	0.0	-57.53	407.25	11.21	-46.32
CC1=CC=C(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300012721385	0	52	0.0	-75.71	400.04	9.14	-66.57
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721386	0	45	0.0	-68.78	358.62	7.00	-61.78
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300012721387	0	55	0.0	-77.57	424.84	10.66	-66.91
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCSCC1	REAL300012721388	0	50	0.0	-75.01	369.89	8.22	-66.79
COCC(C)(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721389	0	49	0.0	-77.36	365.07	5.96	-71.40
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721390	0	52	0.0	-71.53	385.07	7.62	-63.91
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721391	0	51	0.0	-57.44	376.53	9.18	-48.26
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721392	0	58	0.0	-55.35	427.67	12.46	-42.89
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721393	0	48	0.0	-57.62	380.25	9.26	-48.36
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCOC1	REAL300012721394	0	47	0.0	-72.95	348.33	4.82	-68.13
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCCC1	REAL300012721395	0	55	0.0	-76.19	395.76	8.60	-67.59
CN(C(=O)NCC1CC[NH+](C2CC2)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012721396	0	56	0.0	-71.07	411.44	9.10	-61.97
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721397	0	56	0.0	-85.49	416.90	12.46	-73.03
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCOCC1	REAL300012721398	0	50	0.0	-76.32	363.63	6.03	-70.29
C=CCCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721399	0	49	0.0	-74.39	377.00	7.64	-66.75
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721400	0	55	0.0	-55.10	407.11	12.09	-43.01
CCC(CC)(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721401	0	51	0.0	-76.20	363.21	7.58	-68.62
COC1=CC=C(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300012721402	0	53	0.0	-73.97	407.71	7.71	-66.26
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721403	0	51	0.0	-56.01	373.94	9.57	-46.44
CCC(COC)(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721404	0	52	0.0	-80.73	381.51	6.89	-73.84
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721405	0	55	0.0	-72.12	405.34	8.38	-63.74
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCS(=O)(=O)CC1	REAL300012721406	0	52	0.0	-79.71	388.75	4.52	-75.19
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721407	0	49	0.0	-74.76	374.81	7.74	-67.02
COCCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721408	0	49	0.0	-74.57	376.36	5.37	-69.20
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721409	0	54	0.0	-70.64	392.02	9.79	-60.85
O=C([O-])C(CC(F)F)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721410	0	45	0.0	-69.66	353.31	6.83	-62.83
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721411	0	55	0.0	-84.53	393.29	10.75	-73.78
CCCN(C(=O)NCC1CC[NH+](C2CC2)CC1)C(C)C(=O)[O-]	REAL300012721412	0	51	0.0	-75.97	375.24	9.57	-66.40
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721413	0	55	0.0	-56.33	409.91	12.11	-44.22
CCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012721414	0	55	0.0	-74.52	420.35	10.58	-63.94
CCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012721415	0	55	0.0	-77.91	403.62	10.06	-67.85
COC1CCCC(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])C1	REAL300012721416	0	59	0.0	-80.88	428.88	7.52	-73.36
O=C([O-])C(CCF)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721417	0	45	0.0	-72.75	349.04	6.52	-66.23
COC1(CC(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])CCC1	REAL300012721418	0	56	0.0	-74.49	412.43	7.74	-66.75
O=C([O-])CN(C(=O)NCC1CC[NH+](C2CC2)CC1)C1CCOCC1	REAL300012721419	0	53	0.0	-57.74	385.40	8.02	-49.72
O=C([O-])CN(C(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCCC1	REAL300012721420	0	55	0.0	-60.47	394.35	10.41	-50.06
C[C@H]1CC[C@@](NC(=O)NCC2CC[NH+](C3CC3)CC2)(C(=O)[O-])CC1	REAL300012721421	0	55	0.0	-77.45	386.00	8.90	-68.55
COC1=CC=CC(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])=C1	REAL300012721422	0	53	0.0	-78.42	408.37	7.67	-70.75
CC(CCF)(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721423	0	48	0.0	-71.67	353.41	6.83	-64.84
O=C([O-])C1C2=C(CCN1C(=O)NCC1CC[NH+](C3CC3)CC1)OC=C2	REAL300012721424	0	50	0.0	-64.37	375.63	8.86	-55.51
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721425	0	46	0.0	-75.10	361.07	8.17	-66.93
COC1=CC=CC([C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])=C1	REAL300012721426	0	53	0.0	-76.90	408.09	7.75	-69.15
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300012721427	0	55	0.0	-83.10	411.91	10.30	-72.80
COC1=CC=CC(CC(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])=C1	REAL300012721428	0	56	0.0	-80.23	430.62	8.62	-71.61
CC1(C)CCCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)(C(=O)[O-])C1	REAL300012721429	0	58	0.0	-80.72	400.11	9.40	-71.32
O=C([O-])C12CC(C1)CN2C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721430	0	47	0.0	-86.62	348.75	8.86	-77.76
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721431	0	55	0.0	-72.49	420.98	10.04	-62.45
CC(NC(=O)NCC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012721432	0	54	0.0	-80.19	414.87	9.83	-70.36
COC1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C(C)(C(=O)[O-])C1	REAL300012721433	0	53	0.0	-81.86	391.84	7.75	-74.11
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721434	0	56	0.0	-74.57	414.08	7.14	-67.43
CC(C)(C)[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721435	0	51	0.0	-74.23	373.48	7.42	-66.81
C=C(Cl)CC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721436	0	46	0.0	-70.21	370.92	7.50	-62.71
C=C(C)CC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721437	0	49	0.0	-74.97	374.02	7.69	-67.28
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721438	0	50	0.0	-89.78	364.04	9.62	-80.16
CC(CC1=CC=C(F)C=C1)(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721439	0	55	0.0	-73.06	410.66	9.59	-63.47
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721440	0	46	0.0	-73.17	359.67	8.28	-64.89
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721441	0	46	0.0	-79.01	347.97	8.31	-70.70
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300012721442	0	47	0.0	-79.83	360.14	8.49	-71.34
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721443	0	56	0.0	-74.90	409.94	7.79	-67.11
CC(C)C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721444	0	51	0.0	-73.34	381.38	7.65	-65.69
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1CCOCC1	REAL300012721445	0	53	0.0	-76.65	387.76	6.09	-70.56
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1	REAL300012721446	0	49	0.0	-74.12	378.21	8.41	-65.71
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300012721447	0	52	0.0	-73.41	417.32	9.46	-63.95
O=C([O-])C(CC1CC1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721448	0	49	0.0	-74.76	374.81	7.74	-67.02
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721449	0	48	0.0	-71.87	387.65	6.49	-65.38
CC(C)CCCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721450	0	57	0.0	-74.56	424.75	9.15	-65.41
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721451	0	55	0.0	-77.42	430.55	9.78	-67.64
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721452	0	53	0.0	-78.82	398.64	6.77	-72.05
CSCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721453	0	46	0.0	-72.12	366.39	6.65	-65.47
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721454	0	52	0.0	-74.02	407.26	9.46	-64.56
CCC(C)CC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721455	0	54	0.0	-75.05	399.50	8.33	-66.72
C=CCCCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721456	0	52	0.0	-74.54	398.50	8.42	-66.12
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721457	0	52	0.0	-72.34	407.23	9.46	-62.88
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=CC2=CC=CC=C21	REAL300012721458	0	55	0.0	-78.85	419.57	10.54	-68.31
O=C([O-])C1CSCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721459	0	47	0.0	-81.74	356.78	9.45	-72.29
CC(NC(=O)NCC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012721460	0	52	0.0	-75.61	386.64	9.16	-66.45
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721461	0	50	0.0	-87.34	362.76	9.78	-77.56
CCN(C(=O)NCC1CC[NH+](C2CC2)CC1)C(C)(C)C(=O)[O-]	REAL300012721462	0	51	0.0	-78.62	367.41	9.09	-69.53
CCCN(C(=O)NCC1CC[NH+](C2CC2)CC1)C(C)C(=O)[O-]	REAL300012721463	0	51	0.0	-75.97	375.24	9.57	-66.40
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721464	0	45	0.0	-69.36	355.23	8.62	-60.74
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721465	0	45	0.0	-69.36	355.23	8.62	-60.74
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721466	0	58	0.0	-58.83	428.96	6.60	-52.23
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721467	0	47	0.0	-83.81	353.49	4.53	-79.28
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	REAL300012721468	1	62	0.0	-61.35	454.15	6.47	-54.88
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721469	0	53	0.0	-55.31	395.73	11.26	-44.05
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2CC[NH+](C3CC3)CC2)[C@H]1C(=O)[O-]	REAL300012721470	0	56	0.0	-61.34	405.89	11.46	-49.88
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721471	0	54	0.0	-71.68	398.65	9.54	-62.14
O=C([O-])[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1	REAL300012721472	0	49	0.0	-75.71	378.62	8.47	-67.24
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300012721473	0	52	0.0	-71.50	417.60	9.39	-62.11
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721474	0	54	0.0	-76.35	418.97	8.33	-68.02
C=CCCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721475	0	49	0.0	-74.39	377.00	7.64	-66.75
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721476	0	48	0.0	-78.10	387.64	6.32	-71.78
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721477	0	49	0.0	-68.36	410.78	8.34	-60.02
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721478	0	49	0.0	-91.04	376.38	6.00	-85.04
CN1CC(C(=O)[O-])N(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1=O	REAL300012721479	0	50	0.0	-75.54	369.49	7.51	-68.03
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721480	0	49	0.0	-81.46	358.60	8.77	-72.69
O=C([O-])[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CC=CC=C1	REAL300012721481	0	49	0.0	-74.14	378.21	8.41	-65.73
CC(CN1C=CC=N1)(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721482	0	52	0.0	-74.22	392.66	7.76	-66.46
O=C([O-])CN(C(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCC1	REAL300012721483	0	52	0.0	-60.08	376.97	9.69	-50.39
CC[C@H](C)[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721484	0	51	0.0	-73.96	373.93	7.27	-66.69
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC(CO)C1	REAL300012721485	0	50	0.0	-79.89	376.08	4.31	-75.58
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721486	0	58	0.0	-75.53	426.14	7.57	-67.96
CC1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)(C(=O)[O-])C1	REAL300012721487	0	52	0.0	-77.33	383.19	8.26	-69.07
CC1(C)CCCC1(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721488	0	55	0.0	-77.74	388.22	8.78	-68.96
COCCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721489	0	49	0.0	-74.57	376.36	5.37	-69.20
CN(C(=O)NCC1CC[NH+](C2CC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012721490	0	55	0.0	-73.87	409.69	11.25	-62.62
CC1(C)CC(NC(=O)NCC2CC[NH+](C3CC3)CC2)(C(=O)[O-])C1	REAL300012721491	0	52	0.0	-78.93	380.27	8.73	-70.20
CC1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012721492	0	59	0.0	-81.77	427.64	10.76	-71.01
CC1(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])CC1	REAL300012721493	0	49	0.0	-74.40	371.50	7.39	-67.01
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721494	0	58	0.0	-76.98	426.73	7.52	-69.46
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721495	0	47	0.0	-85.62	350.12	4.61	-81.01
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721496	0	57	0.0	-62.09	421.03	11.94	-50.15
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1CCOC1	REAL300012721497	0	50	0.0	-74.88	369.46	5.35	-69.53
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721498	0	50	0.0	-84.25	368.05	9.56	-74.69
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1=CNC2=CC=CC=C12	REAL300012721499	0	53	0.0	-83.34	410.52	8.53	-74.81
O=C([O-])C12COC(CN1C(=O)NCC1CC[NH+](C3CC3)CC1)C2	REAL300012721500	0	48	0.0	-82.37	356.07	7.04	-75.33
CC1CCC(C(=O)[O-])N(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300012721501	0	52	0.0	-84.96	373.66	10.09	-74.87
CC(C1=CC=CC=C1)C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721502	0	55	0.0	-73.99	417.84	9.74	-64.25
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721503	0	56	0.0	-74.91	410.93	10.11	-64.80
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1CCC1	REAL300012721504	0	49	0.0	-74.98	367.56	7.36	-67.62
CC1(C)CC(NC(=O)NCC2CC[NH+](C3CC3)CC2)(C(=O)[O-])CC(C)(C)O1	REAL300012721505	0	62	0.0	-78.19	436.07	9.17	-69.02
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCCC1	REAL300012721506	0	55	0.0	-76.19	395.76	8.60	-67.59
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1CCC1	REAL300012721507	0	49	0.0	-74.98	367.56	7.36	-67.62
CC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1C(=O)[O-]	REAL300012721508	0	49	0.0	-82.64	357.61	8.40	-74.24
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721509	0	56	0.0	-74.73	414.92	8.03	-66.70
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721510	0	56	0.0	-56.28	388.49	10.05	-46.23
CC1(C)CC(NC(=O)NCC2CC[NH+](C3CC3)CC2)(C(=O)[O-])CCO1	REAL300012721511	0	56	0.0	-79.30	392.73	7.33	-71.97
CC1=CC=CC2=C1CCN(C(=O)NCC1CC[NH+](C3CC3)CC1)C2C(=O)[O-]	REAL300012721512	0	56	0.0	-64.73	411.22	11.36	-53.37
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721513	0	50	0.0	-54.49	368.69	9.44	-45.05
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721514	0	56	0.0	-74.91	410.93	10.11	-64.80
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721515	0	52	0.0	-78.43	407.53	9.39	-69.04
COC1CC(NC(=O)NCC2CC[NH+](C3CC3)CC2)(C(=O)[O-])C1	REAL300012721516	0	50	0.0	-81.92	381.72	6.19	-75.73
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC(F)(F)C1	REAL300012721517	0	46	0.0	-76.11	356.67	7.26	-68.85
CO[C@H]1C[C@](NC(=O)NCC2CC[NH+](C3CC3)CC2)(C(=O)[O-])C1	REAL300012721518	0	50	0.0	-74.17	379.92	6.08	-68.09
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1(C(F)(F)F)CC1	REAL300012721519	0	49	0.0	-70.95	383.92	7.80	-63.15
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721520	0	52	0.0	-84.20	371.84	10.01	-74.19
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721521	0	45	0.0	-68.78	358.62	7.00	-61.78
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721522	0	53	0.0	-71.90	391.91	6.04	-65.86
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721523	0	49	0.0	-74.40	392.99	8.38	-66.02
COCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012721524	0	56	0.0	-76.11	419.83	8.38	-67.73
CC(C)C(C)(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721525	0	51	0.0	-73.78	361.75	7.30	-66.48
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721526	0	47	0.0	-85.55	353.55	9.59	-75.96
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721527	0	50	0.0	-83.74	369.39	9.04	-74.70
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721528	0	55	0.0	-56.33	409.91	12.11	-44.22
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721529	0	58	0.0	-75.54	423.01	9.51	-66.03
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721530	0	55	0.0	-74.04	424.09	10.11	-63.93
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721531	0	55	0.0	-75.23	423.85	10.16	-65.07
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1CC2CCC1C2	REAL300012721532	0	56	0.0	-76.01	403.13	8.98	-67.03
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721533	0	58	0.0	-75.12	422.77	9.58	-65.54
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721534	0	58	0.0	-73.65	423.02	9.52	-64.13
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721535	0	56	0.0	-57.94	403.29	10.19	-47.75
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721536	0	56	0.0	-83.82	403.67	10.19	-73.63
COC1=CC=C(CC(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300012721537	0	56	0.0	-74.31	430.55	8.63	-65.68
C=CCSCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721538	0	50	0.0	-71.73	400.42	8.18	-63.55
N#CC1=CC=C(CC(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300012721539	0	53	0.0	-73.08	421.05	9.73	-63.35
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721540	0	51	0.0	-71.48	367.40	9.12	-62.36
COC1(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])CCC1	REAL300012721541	0	53	0.0	-70.33	389.63	5.95	-64.38
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCC(C(F)F)CC1	REAL300012721542	0	55	0.0	-76.38	403.81	9.32	-67.06
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCC2=CC=CC=C2C1	REAL300012721543	0	56	0.0	-79.97	410.11	10.46	-69.51
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC(C(F)F)C1	REAL300012721544	0	49	0.0	-74.80	373.92	7.76	-67.04
CC(C)(C)C1=CC=C(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300012721546	0	61	0.0	-73.79	454.43	10.74	-63.05
CC(C)C1=CC=C(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300012721547	0	58	0.0	-73.78	438.45	10.34	-63.44
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721548	0	46	0.0	-79.01	347.97	8.31	-70.70
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721549	0	48	0.0	-57.70	361.97	9.25	-48.45
CC1(C)CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1C(=O)[O-]	REAL300012721550	0	52	0.0	-80.86	378.21	9.38	-71.48
CCOC1=CC=C(C(NC(=O)NCC2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300012721551	0	56	0.0	-73.76	429.57	8.64	-65.12
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721552	0	56	0.0	-84.67	398.11	10.92	-73.75
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1CCC2=CC=CC=C21	REAL300012721553	0	56	0.0	-75.28	413.57	9.93	-65.35
CC(COC1=CC=CC=C1)(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721554	0	56	0.0	-79.48	421.28	9.43	-70.05
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721555	0	52	0.0	-77.43	415.09	9.31	-68.12
CC(C)CCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721556	0	54	0.0	-74.40	403.01	8.44	-65.96
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721557	0	53	0.0	-57.92	393.68	9.87	-48.05
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721558	0	53	0.0	-71.90	391.91	6.04	-65.86
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300012721559	0	50	0.0	-78.52	385.70	9.18	-69.34
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCCC2CC21	REAL300012721560	0	53	0.0	-79.25	378.05	9.17	-70.08
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCC2CC21	REAL300012721561	0	50	0.0	-80.86	365.21	8.25	-72.61
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC2(CCC2)C1	REAL300012721562	0	53	0.0	-78.76	390.88	8.84	-69.92
CN(C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012721563	0	55	0.0	-74.60	411.63	11.38	-63.22
O=C([O-])C1CC2(CN1C(=O)NCC1CC[NH+](C3CC3)CC1)CCCCC2	REAL300012721564	0	59	0.0	-54.02	417.41	10.68	-43.34
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCC1	REAL300012721565	0	52	0.0	-75.58	384.47	8.04	-67.54
CO[C@H](C)[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721566	0	49	0.0	-74.12	372.69	5.55	-68.57
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721567	0	49	0.0	-81.59	370.17	8.24	-73.35
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721568	0	52	0.0	-58.34	399.61	11.13	-47.21
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300012721569	0	52	0.0	-55.92	383.69	8.96	-46.96
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721570	0	53	0.0	-60.25	405.80	10.81	-49.44
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721571	0	49	0.0	-81.37	368.05	9.53	-71.84
O=C([O-])C1N(C(=O)NCC2CC[NH+](C3CC3)CC2)CCC1(F)F	REAL300012721572	0	46	0.0	-82.90	353.12	8.36	-74.54
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721573	0	52	0.0	-78.43	407.53	9.39	-69.04
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721574	0	49	0.0	-74.98	392.02	8.25	-66.73
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721575	0	49	0.0	-72.38	370.62	8.89	-63.49
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC2(CC(F)(F)C2)C1	REAL300012721576	0	53	0.0	-79.69	405.84	9.06	-70.63
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721577	0	57	0.0	-77.85	434.15	10.90	-66.95
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721578	0	49	0.0	-74.98	392.02	8.25	-66.73
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721579	0	53	0.0	-84.51	379.25	9.30	-75.21
COCCCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721580	0	52	0.0	-73.91	397.86	6.15	-67.76
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721581	0	51	0.0	-70.55	375.15	9.12	-61.43
CCOCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721582	0	49	0.0	-76.34	376.40	5.52	-70.82
CC(C)(C)CC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721583	0	54	0.0	-73.59	393.54	8.70	-64.89
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCCO1	REAL300012721584	0	53	0.0	-77.03	391.43	6.47	-70.56
O=C([O-])C1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC2=CC=CC=C2C1	REAL300012721585	0	53	0.0	-78.96	398.41	9.69	-69.27
C[C@H]1OCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1C(=O)[O-]	REAL300012721586	0	50	0.0	-82.97	368.68	8.00	-74.97
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721587	0	52	0.0	-57.28	388.95	9.39	-47.89
N#CCCC(NC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300012721588	0	46	0.0	-75.50	363.54	6.81	-68.69
O=C([O-])C(NC(=O)NCC1CC[NH+](C2CC2)CC1)C12CC3CC(CC(C3)C1)C2	REAL300012721589	0	63	0.0	-79.32	434.57	10.49	-68.83
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721590	0	55	0.0	-79.22	430.78	9.64	-69.58
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721591	0	49	0.0	-61.03	381.28	9.27	-51.76
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721592	0	60	0.0	-83.49	414.65	9.83	-73.66
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300012721593	0	51	0.0	-70.90	412.61	8.01	-62.89
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300012721594	0	53	0.0	-82.05	396.58	8.18	-73.87
CC(C)C[C@H](NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721595	0	53	0.0	-66.96	373.32	7.38	-59.58
CC(C)C[C@H](NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721595	1	53	0.0	-71.18	373.57	7.45	-63.73
C=CCOCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721596	0	52	0.0	-66.55	381.22	6.92	-59.63
C=CCOCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721596	1	52	0.0	-68.34	382.12	5.93	-62.41
C=CC(C)C(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721597	0	51	0.0	-71.33	366.63	8.29	-63.04
C=CC(C)C(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721597	1	51	0.0	-73.31	361.33	8.01	-65.30
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012721598	0	55	0.0	-75.20	379.02	7.00	-68.20
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012721598	1	55	0.0	-75.41	380.73	5.87	-69.54
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012721599	0	51	0.0	-61.94	383.93	9.34	-52.60
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012721599	1	51	0.0	-68.95	384.50	8.28	-60.67
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012721600	0	51	0.0	-61.09	393.22	9.81	-51.28
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012721600	1	51	0.0	-68.53	394.39	8.73	-59.80
COC1CCN(C(=O)NCC2[N@H+](C)CCCC2(C)C)C(C(=O)[O-])C1	REAL300012721601	0	55	0.0	-81.42	377.75	9.34	-72.08
COC1CCN(C(=O)NCC2[N@@H+](C)CCCC2(C)C)C(C(=O)[O-])C1	REAL300012721601	1	55	0.0	-81.53	377.55	8.02	-73.51
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012721602	0	55	0.0	-65.94	385.04	7.22	-58.72
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012721602	1	55	0.0	-66.53	380.13	5.91	-60.62
CC1CCN(C(=O)NCC2[N@H+](C)CCCC2(C)C)C(C(=O)[O-])C1	REAL300012721603	0	54	0.0	-79.41	359.06	10.36	-69.05
CC1CCN(C(=O)NCC2[N@@H+](C)CCCC2(C)C)C(C(=O)[O-])C1	REAL300012721603	1	54	0.0	-80.08	366.54	9.62	-70.46
CC1=CC(C(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])=CC=C1F	REAL300012721604	0	54	0.0	-64.13	397.37	9.94	-54.19
CC1=CC(C(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])=CC=C1F	REAL300012721604	1	54	0.0	-68.48	398.51	8.86	-59.62
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012721605	0	56	0.0	-67.29	407.17	9.06	-58.23
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012721605	1	56	0.0	-70.51	407.50	8.09	-62.42
CC1=CC(C(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])=CC(C)=C1	REAL300012721606	0	57	0.0	-68.43	414.07	10.53	-57.90
CC1=CC(C(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])=CC(C)=C1	REAL300012721606	1	57	0.0	-68.71	414.38	9.57	-59.14
CC1=CC=C(C(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])C=C1C	REAL300012721607	0	57	0.0	-67.67	409.05	10.44	-57.23
CC1=CC=C(C(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])C=C1C	REAL300012721607	1	57	0.0	-69.32	410.39	9.32	-60.00
COC1=CC=C(C(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])C=C1Cl	REAL300012721608	0	55	0.0	-64.06	416.15	9.10	-54.96
COC1=CC=C(C(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])C=C1Cl	REAL300012721608	1	55	0.0	-71.43	417.07	8.09	-63.34
CC1=CC=CC(C(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])=C1C	REAL300012721609	0	57	0.0	-67.83	401.26	10.23	-57.60
CC1=CC=CC(C(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])=C1C	REAL300012721609	1	57	0.0	-70.73	401.52	9.20	-61.53
COC1=CC=C(C(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])C=C1F	REAL300012721610	0	55	0.0	-65.16	406.95	8.59	-56.57
COC1=CC=C(C(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])C=C1F	REAL300012721610	1	55	0.0	-72.71	407.51	7.53	-65.18
CC(C(=O)[O-])N(C(=O)NCC1[N@H+](C)CCCC1(C)C)C1CCC1	REAL300012721611	0	54	0.0	-54.30	361.02	9.79	-44.51
CC(C(=O)[O-])N(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C1CCC1	REAL300012721611	1	54	0.0	-49.65	368.08	8.97	-40.68
CCCN(C(=O)NCC1[N@H+](C)CCCC1(C)C)C(COC)C(=O)[O-]	REAL300012721612	0	57	0.0	-74.87	397.45	9.53	-65.34
CCCN(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C(COC)C(=O)[O-]	REAL300012721612	1	57	0.0	-70.18	392.88	8.25	-61.93
CCCN(C(=O)NCC1[N@H+](C)CCCC1(C)C)C(CC)C(=O)[O-]	REAL300012721613	0	56	0.0	-75.09	383.30	10.22	-64.87
CCCN(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C(CC)C(=O)[O-]	REAL300012721613	1	56	0.0	-64.93	382.43	9.67	-55.26
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012721614	0	51	0.0	-80.75	345.40	9.00	-71.75
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012721614	1	51	0.0	-81.36	345.48	9.15	-72.21
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012721615	0	51	0.0	-63.80	387.35	9.76	-54.04
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012721615	1	51	0.0	-64.30	388.01	9.74	-54.56
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012721616	0	49	0.0	-78.22	345.12	10.25	-67.97
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012721616	1	49	0.0	-80.89	346.50	9.30	-71.59
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012721617	0	54	0.0	-76.43	364.60	9.35	-67.08
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012721617	1	54	0.0	-71.85	365.11	8.27	-63.58
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012721618	0	51	0.0	-76.45	349.54	8.23	-68.22
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012721618	1	51	0.0	-72.14	350.61	7.23	-64.91
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012721619	0	57	0.0	-69.77	374.60	9.77	-60.00
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012721619	1	57	0.0	-72.95	370.87	8.97	-63.98
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012721620	0	54	0.0	-67.43	392.63	10.16	-57.27
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012721620	1	54	0.0	-68.23	393.54	10.15	-58.08
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012721621	0	54	0.0	-47.13	390.90	11.92	-35.21
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012721621	1	54	0.0	-43.94	392.51	10.91	-33.03
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012721622	0	51	0.0	-71.31	371.58	8.12	-63.19
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012721622	1	51	0.0	-68.56	371.78	8.17	-60.39
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012721623	0	51	0.0	-67.75	371.22	9.20	-58.55
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012721623	1	51	0.0	-67.94	371.58	8.24	-59.70
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012721624	0	54	0.0	-67.43	392.63	10.16	-57.27
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012721624	1	54	0.0	-68.23	393.54	10.15	-58.08
CCC(C)C(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721625	0	53	0.0	-67.21	366.33	8.10	-59.11
CCC(C)C(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721625	1	53	0.0	-70.20	367.85	7.25	-62.95
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012721626	0	51	0.0	-80.75	345.40	9.00	-71.75
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012721626	1	51	0.0	-81.36	345.48	9.15	-72.21
CCCC(C)(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721627	0	53	0.0	-66.21	360.72	8.27	-57.94
CCCC(C)(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721627	1	53	0.0	-71.75	361.45	7.18	-64.57
CC(C)CN(CC(=O)[O-])C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721628	0	53	0.0	-55.29	367.55	9.96	-45.33
CC(C)CN(CC(=O)[O-])C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721628	1	53	0.0	-44.04	369.73	9.19	-34.85
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012721629	0	55	0.0	-80.20	382.61	12.21	-67.99
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012721629	1	55	0.0	-82.75	383.75	11.22	-71.53
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012721630	0	51	0.0	-73.53	348.74	8.25	-65.28
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012721630	1	51	0.0	-66.99	348.79	8.21	-58.78
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012721631	0	48	0.0	-65.69	362.89	8.29	-57.40
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012721631	1	48	0.0	-66.31	363.61	7.20	-59.11
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012721632	0	54	0.0	-76.43	364.60	9.35	-67.08
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012721632	1	54	0.0	-71.85	365.11	8.27	-63.58
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012721633	0	54	0.0	-42.08	409.06	11.37	-30.71
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012721633	1	54	0.0	-50.05	409.47	11.38	-38.67
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012721634	0	58	0.0	-69.75	422.88	9.12	-60.63
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012721634	1	58	0.0	-73.23	422.86	9.25	-63.98
CC[C@H](C)[C@H](NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721635	0	53	0.0	-67.05	364.99	6.97	-60.08
CC[C@H](C)[C@H](NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721635	1	53	0.0	-71.72	364.69	8.08	-63.64
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012721636	0	51	0.0	-76.45	349.54	8.23	-68.22
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012721636	1	51	0.0	-72.14	350.61	7.23	-64.91
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012721637	0	54	0.0	-42.39	398.74	10.92	-31.47
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012721637	1	54	0.0	-50.39	399.15	10.93	-39.46
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012721638	0	55	0.0	-75.18	390.72	10.47	-64.71
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012721638	1	55	0.0	-71.79	391.41	9.39	-62.40
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012721639	0	51	0.0	-72.23	381.81	9.39	-62.84
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012721639	1	51	0.0	-68.58	382.67	8.32	-60.26
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012721640	0	54	0.0	-73.14	379.07	9.98	-63.16
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012721640	1	54	0.0	-72.76	379.08	9.98	-62.78
CCCCCCC(C)(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721641	0	62	0.0	-72.13	425.24	10.59	-61.54
CCCCCCC(C)(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721641	1	62	0.0	-71.76	425.77	9.56	-62.20
CN(C(=O)NCC1[N@H+](C)CCCC1(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012721642	0	57	0.0	-65.94	403.36	12.12	-53.82
CN(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012721642	1	57	0.0	-67.31	404.68	11.07	-56.24
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012721643	0	51	0.0	-63.80	387.35	9.76	-54.04
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012721643	1	51	0.0	-64.30	388.01	9.74	-54.56
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012721644	0	49	0.0	-76.25	336.38	7.68	-68.57
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012721644	1	49	0.0	-77.42	336.83	6.57	-70.85
CN(C(=O)NCC1[N@H+](C)CCCC1(C)C)C1(C(=O)[O-])CCCCC1	REAL300012721645	0	57	0.0	-71.59	373.95	10.70	-60.89
CN(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C1(C(=O)[O-])CCCCC1	REAL300012721645	1	57	0.0	-73.70	374.23	9.60	-64.10
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012721646	0	57	0.0	-56.82	407.90	12.48	-44.34
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012721646	1	57	0.0	-52.72	409.76	11.48	-41.24
CN(C(=O)NCC1[N@H+](C)CCCC1(C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012721647	0	54	0.0	-76.04	381.15	10.79	-65.25
CN(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012721647	1	54	0.0	-68.29	379.25	9.73	-58.56
COCCN(CC(=O)[O-])C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721648	0	51	0.0	-44.42	364.71	7.03	-37.39
COCCN(CC(=O)[O-])C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721648	1	51	0.0	-52.67	364.94	7.09	-45.58
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012721649	0	55	0.0	-71.69	385.93	10.27	-61.42
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012721649	1	55	0.0	-71.75	386.00	10.32	-61.43
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012721650	0	51	0.0	-80.81	345.41	9.00	-71.81
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012721650	1	51	0.0	-79.86	345.64	8.99	-70.87
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012721651	0	51	0.0	-79.04	351.02	9.59	-69.45
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012721651	1	51	0.0	-79.08	351.50	8.55	-70.53
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012721652	0	58	0.0	-81.35	427.73	9.00	-72.35
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012721652	1	58	0.0	-76.70	427.96	9.06	-67.64
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012721653	0	54	0.0	-69.50	360.49	10.88	-58.62
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012721653	1	54	0.0	-76.89	358.76	9.57	-67.32
CCCCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721654	0	53	0.0	-65.32	377.26	8.69	-56.63
CCCCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721654	1	53	0.0	-72.02	378.10	8.68	-63.34
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012721655	0	57	0.0	-56.82	407.90	12.48	-44.34
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012721655	1	57	0.0	-52.72	409.76	11.48	-41.24
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012721656	0	51	0.0	-74.37	351.59	8.53	-65.84
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012721656	1	51	0.0	-78.93	350.87	9.58	-69.35
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012721657	0	54	0.0	-42.66	370.10	9.43	-33.23
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012721657	1	54	0.0	-56.05	368.96	10.47	-45.58
COCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721658	0	48	0.0	-73.13	346.82	5.42	-67.71
COCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721658	1	48	0.0	-72.90	346.47	5.37	-67.53
CCCCCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721659	0	56	0.0	-65.23	398.76	9.48	-55.75
CCCCCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721659	1	56	0.0	-66.11	399.60	9.46	-56.65
CCC1CCC(NC(=O)NCC2[N@H+](C)CCCC2(C)C)(C(=O)[O-])CC1	REAL300012721660	0	60	0.0	-76.39	403.68	10.60	-65.79
CCC1CCC(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)(C(=O)[O-])CC1	REAL300012721660	1	60	0.0	-76.75	404.23	9.56	-67.19
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012721661	0	55	0.0	-46.33	376.82	8.81	-37.52
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012721661	1	55	0.0	-52.49	378.35	7.80	-44.69
CN(C(=O)NCC1[N@H+](C)CCCC1(C)C)C1(C(=O)[O-])CCCC1	REAL300012721662	0	54	0.0	-79.15	361.30	10.11	-69.04
CN(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C1(C(=O)[O-])CCCC1	REAL300012721662	1	54	0.0	-75.62	362.79	9.22	-66.40
CC(C(=O)[O-])N(C(=O)NCC1[N@H+](C)CCCC1(C)C)C1CC1	REAL300012721663	0	51	0.0	-58.80	351.79	9.70	-49.10
CC(C(=O)[O-])N(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C1CC1	REAL300012721663	1	51	0.0	-71.45	349.82	8.69	-62.76
CCC(C(=O)[O-])N(C(=O)NCC1[N@H+](C)CCCC1(C)C)C1CC1	REAL300012721664	0	54	0.0	-58.23	371.70	10.63	-47.60
CCC(C(=O)[O-])N(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C1CC1	REAL300012721664	1	54	0.0	-71.25	363.95	9.17	-62.08
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012721665	0	51	0.0	-72.84	383.06	8.60	-64.24
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012721665	1	51	0.0	-73.27	382.57	8.63	-64.64
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012721666	0	51	0.0	-76.81	375.79	8.26	-68.55
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012721666	1	51	0.0	-77.98	376.23	8.26	-69.72
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012721667	0	55	0.0	-58.50	386.08	11.63	-46.87
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012721667	1	55	0.0	-47.44	386.70	10.56	-36.88
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012721668	0	54	0.0	-68.73	404.32	10.22	-58.51
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012721668	1	54	0.0	-65.99	407.50	9.17	-56.82
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012721669	0	60	0.0	-77.87	437.21	12.21	-65.66
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012721669	1	60	0.0	-77.10	437.62	11.10	-66.00
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012721670	0	60	0.0	-73.13	415.47	10.40	-62.73
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012721670	1	60	0.0	-67.56	415.86	9.36	-58.20
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721671	0	57	0.0	-55.97	396.96	12.51	-43.46
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721671	1	57	0.0	-41.58	400.20	10.99	-30.59
CC1=CC=C(C(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])C=C1	REAL300012721672	0	54	0.0	-67.75	392.63	9.89	-57.86
CC1=CC=C(C(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])C=C1	REAL300012721672	1	54	0.0	-68.00	392.97	8.92	-59.08
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012721673	0	47	0.0	-64.42	351.09	6.81	-57.61
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012721673	1	47	0.0	-65.46	351.03	7.84	-57.62
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012721674	0	57	0.0	-68.70	416.61	11.50	-57.20
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012721674	1	57	0.0	-69.60	417.53	10.51	-59.09
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012721675	0	52	0.0	-72.39	362.31	9.04	-63.35
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012721675	1	52	0.0	-68.29	362.84	7.96	-60.33
COCC(C)(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721676	0	51	0.0	-72.30	357.79	5.70	-66.60
COCC(C)(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721676	1	51	0.0	-72.23	358.03	5.74	-66.49
CCOCC(C(=O)[O-])N(C)C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721677	0	54	0.0	-64.17	377.47	8.44	-55.73
CCOCC(C(=O)[O-])N(C)C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721677	1	54	0.0	-64.65	378.85	7.44	-57.21
CC(C)CN(CC(=O)[O-])C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721678	0	53	0.0	-55.29	367.55	9.96	-45.33
CC(C)CN(CC(=O)[O-])C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721678	1	53	0.0	-44.04	369.73	9.19	-34.85
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721679	0	60	0.0	-54.68	412.09	12.53	-42.15
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721679	1	60	0.0	-55.93	416.96	12.58	-43.35
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012721680	0	50	0.0	-43.74	366.37	9.84	-33.90
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012721680	1	50	0.0	-44.74	373.20	9.05	-35.69
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012721681	0	49	0.0	-66.31	340.80	5.60	-60.71
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012721681	1	49	0.0	-68.16	341.37	4.62	-63.54
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012721682	0	57	0.0	-66.73	391.21	8.45	-58.28
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012721682	1	57	0.0	-68.84	394.31	8.54	-60.30
CN(C(=O)NCC1[N@H+](C)CCCC1(C)C)C(COC1CCC1)C(=O)[O-]	REAL300012721683	0	58	0.0	-69.23	404.46	9.96	-59.27
CN(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C(COC1CCC1)C(=O)[O-]	REAL300012721683	1	58	0.0	-64.75	405.38	8.74	-56.01
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012721684	0	58	0.0	-79.13	409.89	12.16	-66.97
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012721684	1	58	0.0	-78.21	409.66	12.24	-65.97
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012721685	0	52	0.0	-75.70	356.03	6.86	-68.84
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012721685	1	52	0.0	-71.51	356.58	5.82	-65.69
C=CCCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721686	0	51	0.0	-65.02	368.57	8.48	-56.54
C=CCCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721686	1	51	0.0	-67.38	369.95	7.42	-59.96
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721687	0	57	0.0	-40.33	398.29	11.81	-28.52
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721687	1	57	0.0	-31.39	401.20	11.69	-19.70
CCC(CC)(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721688	0	53	0.0	-73.15	355.93	7.30	-65.85
CCC(CC)(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721688	1	53	0.0	-68.76	356.15	7.36	-61.40
COC1=CC=C(C(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])C=C1	REAL300012721689	0	55	0.0	-67.03	400.12	8.53	-58.50
COC1=CC=C(C(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])C=C1	REAL300012721689	1	55	0.0	-67.35	401.05	7.54	-59.81
CCC(C)N(CC(=O)[O-])C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721690	0	53	0.0	-40.67	366.40	9.41	-31.26
CCC(C)N(CC(=O)[O-])C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721690	1	53	0.0	-54.91	363.55	10.45	-44.46
CCC(COC)(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721691	0	54	0.0	-77.89	373.92	7.70	-70.19
CCC(COC)(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721691	1	54	0.0	-77.80	374.16	7.70	-70.10
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721692	0	57	0.0	-64.22	398.36	9.28	-54.94
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721692	1	57	0.0	-68.79	398.91	8.26	-60.53
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012721693	0	54	0.0	-77.76	381.23	5.37	-72.39
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012721693	1	54	0.0	-74.57	381.88	4.28	-70.29
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012721694	0	51	0.0	-71.84	366.97	8.62	-63.22
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012721694	1	51	0.0	-71.33	367.42	7.60	-63.73
COCCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721695	0	51	0.0	-65.59	367.93	6.21	-59.38
COCCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721695	1	51	0.0	-67.66	369.32	5.15	-62.51
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721696	0	56	0.0	-69.23	383.37	10.46	-58.77
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721696	1	56	0.0	-65.31	386.03	9.47	-55.84
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012721697	0	47	0.0	-65.57	346.61	7.44	-58.13
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012721697	1	47	0.0	-66.31	347.45	7.43	-58.88
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721698	0	57	0.0	-80.44	388.58	11.44	-69.00
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721698	1	57	0.0	-77.91	386.37	10.48	-67.43
CCCN(C(=O)NCC1[N@H+](C)CCCC1(C)C)C(C)C(=O)[O-]	REAL300012721699	0	53	0.0	-70.39	365.37	8.66	-61.73
CCCN(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C(C)C(=O)[O-]	REAL300012721699	1	53	0.0	-30.78	362.84	9.39	-21.39
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721700	0	57	0.0	-45.38	400.81	11.75	-33.63
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721700	1	57	0.0	-45.05	401.06	11.75	-33.30
CCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012721701	0	57	0.0	-71.16	412.75	11.39	-59.77
CCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012721701	1	57	0.0	-67.86	413.36	10.36	-57.50
CCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012721702	0	57	0.0	-74.18	396.03	10.89	-63.29
CCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012721702	1	57	0.0	-70.57	396.58	9.84	-60.73
COC1CCCC(C(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])C1	REAL300012721703	0	61	0.0	-77.11	426.20	8.58	-68.53
COC1CCCC(C(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])C1	REAL300012721703	1	61	0.0	-72.19	426.76	7.55	-64.64
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012721704	0	47	0.0	-64.41	340.85	7.29	-57.12
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012721704	1	47	0.0	-66.05	341.99	6.29	-59.76
COC1(CC(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])CCC1	REAL300012721705	0	58	0.0	-66.44	403.02	8.43	-58.01
COC1(CC(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])CCC1	REAL300012721705	1	58	0.0	-70.12	403.39	7.45	-62.67
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012721706	0	55	0.0	-46.33	376.82	8.81	-37.52
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012721706	1	55	0.0	-52.49	378.35	7.80	-44.69
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012721707	0	57	0.0	-56.18	385.46	11.19	-44.99
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012721707	1	57	0.0	-56.31	386.36	11.18	-45.13
C[C@H]1CC[C@@](NC(=O)NCC2[N@H+](C)CCCC2(C)C)(C(=O)[O-])CC1	REAL300012721708	0	57	0.0	-70.06	378.50	9.75	-60.31
C[C@H]1CC[C@@](NC(=O)NCC2[N@@H+](C)CCCC2(C)C)(C(=O)[O-])CC1	REAL300012721708	1	57	0.0	-76.64	378.31	9.75	-66.89
COC1=CC=CC(C(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])=C1	REAL300012721709	0	55	0.0	-74.42	400.51	8.58	-65.84
COC1=CC=CC(C(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])=C1	REAL300012721709	1	55	0.0	-70.83	401.07	7.53	-63.30
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012721710	0	50	0.0	-68.78	345.83	7.64	-61.14
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012721710	1	50	0.0	-68.74	346.54	6.56	-62.18
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012721711	0	52	0.0	-59.23	368.89	9.84	-49.39
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012721711	1	52	0.0	-48.16	369.30	8.72	-39.44
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012721712	0	48	0.0	-72.40	347.43	8.13	-64.27
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012721712	1	48	0.0	-70.42	349.11	7.91	-62.51
COC1=CC=CC([C@H](NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])=C1	REAL300012721713	0	55	0.0	-71.35	401.06	7.39	-63.96
COC1=CC=CC([C@H](NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])=C1	REAL300012721713	1	55	0.0	-73.56	401.06	7.53	-66.03
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2[N@H+](C)CCCC2(C)C)C1	REAL300012721714	0	57	0.0	-67.40	400.94	10.02	-57.38
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2[N@@H+](C)CCCC2(C)C)C1	REAL300012721714	1	57	0.0	-80.39	400.75	9.83	-70.56
COC1=CC=CC(CC(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])=C1	REAL300012721715	0	58	0.0	-65.84	422.14	9.46	-56.38
COC1=CC=CC(CC(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])=C1	REAL300012721715	1	58	0.0	-70.56	423.28	8.47	-62.09
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012721716	0	60	0.0	-71.08	391.14	10.20	-60.88
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012721716	1	60	0.0	-77.91	392.43	10.18	-67.73
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012721717	0	49	0.0	-79.61	340.40	9.46	-70.15
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012721717	1	49	0.0	-85.53	343.77	8.39	-77.14
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012721718	0	57	0.0	-71.48	413.38	10.85	-60.63
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012721718	1	57	0.0	-71.52	413.89	9.82	-61.70
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012721719	0	56	0.0	-71.55	407.98	10.64	-60.91
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012721719	1	56	0.0	-67.61	407.98	9.60	-58.01
COC1CN(C(=O)NCC2[N@H+](C)CCCC2(C)C)C(C)(C(=O)[O-])C1	REAL300012721720	0	55	0.0	-74.35	384.56	7.46	-66.89
COC1CN(C(=O)NCC2[N@@H+](C)CCCC2(C)C)C(C)(C(=O)[O-])C1	REAL300012721720	1	55	0.0	-79.88	384.74	7.52	-72.36
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012721721	0	58	0.0	-66.43	406.50	7.97	-58.46
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012721721	1	58	0.0	-70.38	406.22	6.94	-63.44
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012721722	0	53	0.0	-68.77	366.20	7.15	-61.62
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012721722	1	53	0.0	-72.82	366.43	7.20	-65.62
C=C(Cl)CC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721723	0	48	0.0	-67.00	364.12	8.26	-58.74
C=C(Cl)CC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721723	1	48	0.0	-72.37	363.54	8.21	-64.16
C=C(C)CC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721724	0	51	0.0	-66.44	368.69	8.32	-58.12
C=C(C)CC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721724	1	51	0.0	-71.58	369.53	7.31	-64.27
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012721725	0	52	0.0	-85.21	355.96	10.49	-74.72
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012721725	1	52	0.0	-85.54	355.19	10.55	-74.99
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012721726	0	57	0.0	-72.12	403.05	10.40	-61.72
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012721726	1	57	0.0	-72.26	403.58	9.37	-62.89
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012721727	0	48	0.0	-69.45	346.32	8.50	-60.95
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012721727	1	48	0.0	-71.06	346.85	9.20	-61.86
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012721728	0	48	0.0	-70.06	340.34	9.13	-60.93
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012721728	1	48	0.0	-76.86	340.47	8.24	-68.62
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2[N@H+](C)CCCC2(C)C)C1	REAL300012721729	0	49	0.0	-75.05	348.64	8.08	-66.97
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2[N@@H+](C)CCCC2(C)C)C1	REAL300012721729	1	49	0.0	-79.47	349.47	9.05	-70.42
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012721730	0	58	0.0	-67.11	405.72	7.96	-59.15
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012721730	1	58	0.0	-68.81	406.87	6.97	-61.84
CC(C)C[C@H](NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721731	0	53	0.0	-66.96	373.32	7.38	-59.58
CC(C)C[C@H](NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721731	1	53	0.0	-71.18	373.57	7.45	-63.73
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012721732	0	55	0.0	-75.20	379.02	7.00	-68.20
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012721732	1	55	0.0	-75.41	380.73	5.87	-69.54
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012721733	0	51	0.0	-67.75	371.22	9.20	-58.55
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012721733	1	51	0.0	-67.94	371.58	8.24	-59.70
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012721734	0	51	0.0	-71.84	366.97	8.62	-63.22
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012721734	1	51	0.0	-71.33	367.42	7.60	-63.73
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012721735	0	50	0.0	-72.66	380.02	7.35	-65.31
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012721735	1	50	0.0	-68.09	380.57	6.30	-61.79
CC(C)CCCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721736	0	59	0.0	-66.11	417.16	9.98	-56.13
CC(C)CCCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721736	1	59	0.0	-65.47	416.92	10.05	-55.42
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012721737	0	57	0.0	-71.01	422.95	10.61	-60.40
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012721737	1	57	0.0	-76.19	423.55	9.55	-66.64
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012721738	0	55	0.0	-75.80	391.59	6.43	-69.37
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012721738	1	55	0.0	-70.59	390.04	6.95	-63.64
CSCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721739	0	48	0.0	-68.77	358.80	7.49	-61.28
CSCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721739	1	48	0.0	-68.49	358.57	7.56	-60.93
COC[C@H](NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721740	0	48	0.0	-67.55	346.77	4.26	-63.29
COC[C@H](NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721740	1	48	0.0	-72.17	347.50	4.32	-67.85
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012721741	0	54	0.0	-71.51	400.00	9.18	-62.33
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012721741	1	54	0.0	-66.05	399.71	10.29	-55.76
CCC(C)CC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721742	0	56	0.0	-72.59	392.03	9.10	-63.49
CCC(C)CC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721742	1	56	0.0	-67.18	392.33	8.11	-59.07
C=CCCCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721743	0	54	0.0	-64.84	390.07	9.26	-55.58
C=CCCCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721743	1	54	0.0	-65.68	390.67	9.31	-56.37
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012721744	0	54	0.0	-67.27	399.34	9.13	-58.14
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012721744	1	54	0.0	-72.01	399.88	10.22	-61.79
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012721745	0	57	0.0	-75.87	411.89	11.39	-64.48
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012721745	1	57	0.0	-71.28	411.49	10.36	-60.92
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012721746	0	49	0.0	-78.22	345.12	10.25	-67.97
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012721746	1	49	0.0	-80.89	346.50	9.30	-71.59
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012721747	0	54	0.0	-73.14	379.07	9.98	-63.16
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012721747	1	54	0.0	-72.76	379.08	9.98	-62.78
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012721748	0	52	0.0	-85.07	354.70	9.88	-75.19
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012721748	1	52	0.0	-83.11	353.80	10.52	-72.59
CCN(C(=O)NCC1[N@H+](C)CCCC1(C)C)C(C)(C)C(=O)[O-]	REAL300012721749	0	53	0.0	-75.61	358.78	9.80	-65.81
CCN(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C(C)(C)C(=O)[O-]	REAL300012721749	1	53	0.0	-75.63	360.36	8.83	-66.80
CCCN(C(=O)NCC1[N@H+](C)CCCC1(C)C)C(C)C(=O)[O-]	REAL300012721750	0	53	0.0	-70.39	365.37	8.66	-61.73
CCCN(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C(C)C(=O)[O-]	REAL300012721750	1	53	0.0	-30.78	362.84	9.39	-21.39
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012721751	0	47	0.0	-65.28	346.54	9.43	-55.85
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012721751	1	47	0.0	-64.81	346.67	8.37	-56.44
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012721752	0	47	0.0	-65.28	346.54	9.43	-55.85
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012721752	1	47	0.0	-64.81	346.67	8.37	-56.44
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012721753	0	60	0.0	-47.79	420.28	7.39	-40.40
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012721753	1	60	0.0	-44.96	415.51	5.99	-38.97
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012721754	0	49	0.0	-82.02	345.70	4.58	-77.44
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012721754	1	49	0.0	-77.49	345.98	4.48	-73.01
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2[N@H+](C)CCCC2(C)C)CC1	REAL300012721755	1	64	0.0	-57.23	444.10	7.09	-50.14
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2[N@@H+](C)CCCC2(C)C)CC1	REAL300012721755	1	64	0.0	-57.38	445.42	7.25	-50.13
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721756	0	55	0.0	-75.72	387.14	12.07	-63.65
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721756	1	55	0.0	-45.26	388.56	11.02	-34.24
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2[N@H+](C)CCCC2(C)C)[C@H]1C(=O)[O-]	REAL300012721757	0	58	0.0	-51.74	397.65	11.27	-40.47
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2[N@@H+](C)CCCC2(C)C)[C@H]1C(=O)[O-]	REAL300012721757	1	58	0.0	-60.70	398.13	12.23	-48.47
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012721758	0	56	0.0	-70.14	390.03	10.32	-59.82
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012721758	1	56	0.0	-70.59	391.22	9.29	-61.30
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012721759	0	51	0.0	-71.31	371.58	8.12	-63.19
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012721759	1	51	0.0	-68.56	371.78	8.17	-60.39
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012721760	0	56	0.0	-74.57	411.38	9.17	-65.40
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012721760	1	56	0.0	-70.09	411.93	8.11	-61.98
C=CCCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721761	0	51	0.0	-65.02	368.57	8.48	-56.54
C=CCCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721761	1	51	0.0	-67.38	369.95	7.42	-59.96
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012721762	0	50	0.0	-75.53	380.04	7.16	-68.37
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012721762	1	50	0.0	-68.03	380.85	6.10	-61.93
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012721763	0	51	0.0	-64.42	399.87	7.86	-56.56
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012721763	1	51	0.0	-68.10	400.11	7.92	-60.18
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012721764	0	51	0.0	-87.31	364.28	6.58	-80.73
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012721764	1	51	0.0	-89.11	364.38	5.31	-83.80
CN1CC(C(=O)[O-])N(C(=O)NCC2[N@H+](C)CCCC2(C)C)CC1=O	REAL300012721765	0	52	0.0	-70.21	362.21	8.45	-61.76
CN1CC(C(=O)[O-])N(C(=O)NCC2[N@@H+](C)CCCC2(C)C)CC1=O	REAL300012721765	1	52	0.0	-70.56	362.33	7.32	-63.24
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012721766	0	51	0.0	-79.00	350.90	9.58	-69.42
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012721766	1	51	0.0	-74.50	351.43	8.52	-65.98
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012721767	0	51	0.0	-67.77	370.93	8.14	-59.63
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012721767	1	51	0.0	-71.40	371.78	8.17	-63.23
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012721768	0	54	0.0	-74.98	381.02	7.46	-67.52
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012721768	1	54	0.0	-71.12	385.61	7.52	-63.60
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012721769	0	54	0.0	-42.66	370.10	9.43	-33.23
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012721769	1	54	0.0	-56.05	368.96	10.47	-45.58
CC[C@H](C)[C@H](NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721770	0	53	0.0	-67.05	364.99	6.97	-60.08
CC[C@H](C)[C@H](NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721770	1	53	0.0	-71.72	364.69	8.08	-63.64
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012721771	0	52	0.0	-76.27	368.35	5.14	-71.13
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012721771	1	52	0.0	-73.72	369.04	4.08	-69.64
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721772	0	60	0.0	-67.19	415.24	7.25	-59.94
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721772	1	60	0.0	-73.27	419.87	7.35	-65.92
CC1CCC(NC(=O)NCC2[N@H+](C)CCCC2(C)C)(C(=O)[O-])C1	REAL300012721773	0	54	0.0	-69.79	370.37	8.82	-60.97
CC1CCC(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)(C(=O)[O-])C1	REAL300012721773	1	54	0.0	-72.00	371.86	7.76	-64.24
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012721774	0	57	0.0	-69.90	380.72	9.60	-60.30
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012721774	1	57	0.0	-76.45	380.65	9.61	-66.84
COCCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721775	0	51	0.0	-65.59	367.93	6.21	-59.38
COCCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721775	1	51	0.0	-67.66	369.32	5.15	-62.51
CN(C(=O)NCC1[N@H+](C)CCCC1(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012721776	0	57	0.0	-65.94	403.36	12.12	-53.82
CN(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012721776	1	57	0.0	-67.31	404.68	11.07	-56.24
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012721777	0	54	0.0	-78.06	373.34	8.50	-69.56
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012721777	1	54	0.0	-74.36	372.86	8.50	-65.86
CC1CCC(NC(=O)NCC2[N@H+](C)CCCC2(C)C)(C(=O)[O-])C2=CC=CC=C21	REAL300012721778	0	61	0.0	-75.66	420.28	10.45	-65.21
CC1CCC(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)(C(=O)[O-])C2=CC=CC=C21	REAL300012721778	1	61	0.0	-77.87	420.76	10.51	-67.36
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012721779	0	51	0.0	-67.50	361.42	7.21	-60.29
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012721779	1	51	0.0	-72.99	363.53	8.19	-64.80
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721780	0	60	0.0	-72.99	419.74	7.28	-65.71
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721780	1	60	0.0	-67.59	419.64	7.31	-60.28
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012721781	0	49	0.0	-84.62	344.59	5.50	-79.12
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012721781	1	49	0.0	-77.78	344.58	5.51	-72.27
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012721782	0	59	0.0	-51.37	413.59	12.66	-38.71
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012721782	1	59	0.0	-54.97	413.97	11.70	-43.27
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012721783	0	52	0.0	-64.97	367.56	6.20	-58.77
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012721783	1	52	0.0	-65.83	362.81	5.10	-60.73
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012721784	0	52	0.0	-78.07	355.67	10.17	-67.90
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012721784	1	52	0.0	-83.25	355.64	10.22	-73.03
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012721785	0	55	0.0	-80.06	402.93	9.34	-70.72
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012721785	1	55	0.0	-79.62	403.94	8.23	-71.39
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012721786	0	50	0.0	-77.19	347.59	7.98	-69.21
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012721786	1	50	0.0	-78.14	347.46	7.96	-70.18
CC1CCC(C(=O)[O-])N(C(=O)NCC2[N@H+](C)CCCC2(C)C)C1	REAL300012721787	0	54	0.0	-79.12	360.44	10.83	-68.29
CC1CCC(C(=O)[O-])N(C(=O)NCC2[N@@H+](C)CCCC2(C)C)C1	REAL300012721787	1	54	0.0	-82.95	362.23	10.09	-72.86
CC(C1=CC=CC=C1)C(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721788	0	57	0.0	-67.21	410.25	10.56	-56.65
CC(C1=CC=CC=C1)C(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721788	1	57	0.0	-72.27	410.80	9.52	-62.75
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012721789	0	58	0.0	-66.32	403.18	10.93	-55.39
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012721789	1	58	0.0	-71.89	402.88	9.92	-61.97
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012721790	0	51	0.0	-68.30	362.31	7.08	-61.22
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012721790	1	51	0.0	-72.23	362.43	7.14	-65.09
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012721791	0	64	0.0	-75.95	427.83	9.95	-66.00
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012721791	1	64	0.0	-70.84	428.35	8.84	-62.00
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012721792	0	57	0.0	-66.73	391.21	8.45	-58.28
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012721792	1	57	0.0	-68.84	394.31	8.54	-60.30
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012721793	0	51	0.0	-68.30	362.31	7.08	-61.22
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012721793	1	51	0.0	-72.23	362.43	7.14	-65.09
CC1CCN(C(=O)NCC2[N@H+](C)CCCC2(C)C)C1C(=O)[O-]	REAL300012721794	0	51	0.0	-73.06	348.52	9.51	-63.55
CC1CCN(C(=O)NCC2[N@@H+](C)CCCC2(C)C)C1C(=O)[O-]	REAL300012721794	1	51	0.0	-80.29	355.86	8.26	-72.03
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012721795	0	58	0.0	-71.00	407.64	7.76	-63.24
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012721795	1	58	0.0	-75.21	409.19	7.23	-67.98
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012721796	0	58	0.0	-51.15	382.54	10.27	-40.88
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012721796	1	58	0.0	-37.28	381.45	10.89	-26.39
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012721797	0	58	0.0	-70.34	384.59	8.14	-62.20
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012721797	1	58	0.0	-72.61	385.74	7.07	-65.54
CC1=CC=CC2=C1CCN(C(=O)NCC1[N@H+](C)CCCC1(C)C)C2C(=O)[O-]	REAL300012721798	0	58	0.0	-85.90	399.38	12.81	-73.09
CC1=CC=CC2=C1CCN(C(=O)NCC1[N@@H+](C)CCCC1(C)C)C2C(=O)[O-]	REAL300012721798	1	58	0.0	-53.97	403.50	11.10	-42.87
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012721799	0	52	0.0	-44.39	356.43	9.31	-35.08
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012721799	1	52	0.0	-40.06	357.34	10.01	-30.05
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012721800	0	58	0.0	-66.32	403.18	10.93	-55.39
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012721800	1	58	0.0	-71.89	402.88	9.92	-61.97
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012721801	0	54	0.0	-63.54	399.04	10.23	-53.31
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012721801	1	54	0.0	-68.25	400.44	9.18	-59.07
COC1CC(NC(=O)NCC2[N@H+](C)CCCC2(C)C)(C(=O)[O-])C1	REAL300012721802	0	52	0.0	-79.40	369.68	6.82	-72.58
COC1CC(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)(C(=O)[O-])C1	REAL300012721802	1	52	0.0	-73.26	369.07	6.04	-67.22
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012721803	0	48	0.0	-75.11	344.72	7.90	-67.21
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012721803	1	48	0.0	-65.84	349.17	7.11	-58.73
CO[C@H]1C[C@](NC(=O)NCC2[N@H+](C)CCCC2(C)C)(C(=O)[O-])C1	REAL300012721804	0	52	0.0	-68.79	368.59	7.13	-61.66
CO[C@H]1C[C@](NC(=O)NCC2[N@@H+](C)CCCC2(C)C)(C(=O)[O-])C1	REAL300012721804	1	52	0.0	-66.90	367.72	6.70	-60.20
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012721805	0	51	0.0	-63.37	378.63	7.42	-55.95
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012721805	1	51	0.0	-64.78	375.75	8.77	-56.01
CCC1(C(=O)[O-])CCCN1C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721806	0	54	0.0	-80.19	366.93	10.75	-69.44
CCC1(C(=O)[O-])CCCN1C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721806	1	54	0.0	-82.30	367.92	9.82	-72.48
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012721807	0	47	0.0	-64.42	351.09	6.81	-57.61
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012721807	1	47	0.0	-65.46	351.03	7.84	-57.62
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012721808	0	55	0.0	-67.97	390.27	6.09	-61.88
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012721808	1	55	0.0	-65.49	385.73	6.74	-58.75
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012721809	0	51	0.0	-67.97	385.39	9.21	-58.76
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012721809	1	51	0.0	-73.02	385.70	8.22	-64.80
COCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012721810	0	58	0.0	-67.39	412.04	9.18	-58.21
COCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012721810	1	58	0.0	-68.48	412.79	8.16	-60.32
CC(C)C(C)(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721811	0	53	0.0	-72.36	354.46	7.04	-65.32
CC(C)C(C)(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721811	1	53	0.0	-68.88	356.68	7.10	-61.78
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012721812	0	49	0.0	-83.16	340.70	9.44	-73.72
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012721812	1	49	0.0	-82.26	341.82	9.16	-73.10
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012721813	0	52	0.0	-81.48	357.41	9.64	-71.84
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012721813	1	52	0.0	-74.69	357.56	9.85	-64.84
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721814	0	57	0.0	-45.38	400.81	11.75	-33.63
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721814	1	57	0.0	-45.05	401.06	11.75	-33.30
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012721815	0	60	0.0	-73.13	415.47	10.40	-62.73
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012721815	1	60	0.0	-67.56	415.86	9.36	-58.20
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012721816	0	57	0.0	-68.91	416.81	9.82	-59.09
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012721816	1	57	0.0	-72.68	417.05	9.89	-62.79
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012721817	0	57	0.0	-72.66	416.81	9.83	-62.83
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012721817	1	57	0.0	-68.87	417.05	9.88	-58.99
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012721818	0	58	0.0	-68.95	394.13	8.43	-60.52
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012721818	1	58	0.0	-73.79	397.49	8.94	-64.85
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012721819	0	60	0.0	-72.14	415.42	9.36	-62.78
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012721819	1	60	0.0	-66.36	415.31	10.31	-56.05
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012721820	0	60	0.0	-66.82	415.41	10.33	-56.49
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012721820	1	60	0.0	-72.57	416.12	9.30	-63.27
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012721821	0	58	0.0	-40.56	396.63	10.96	-29.60
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012721821	1	58	0.0	-45.75	397.05	9.94	-35.81
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012721822	0	58	0.0	-81.60	393.53	10.06	-71.54
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012721822	1	58	0.0	-74.72	393.66	10.92	-63.80
COC1=CC=C(CC(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])C=C1	REAL300012721823	0	58	0.0	-67.04	422.13	9.46	-57.58
COC1=CC=C(CC(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])C=C1	REAL300012721823	1	58	0.0	-72.44	422.14	9.46	-62.98
C=CCSCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721824	0	52	0.0	-63.93	392.84	9.01	-54.92
C=CCSCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721824	1	52	0.0	-64.11	393.38	7.96	-56.15
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012721825	0	55	0.0	-67.19	413.43	10.57	-56.62
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012721825	1	55	0.0	-73.21	414.64	9.57	-63.64
CCC(C(=O)[O-])N(CC)C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721826	0	53	0.0	-75.33	361.82	9.50	-65.83
CCC(C(=O)[O-])N(CC)C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721826	1	53	0.0	-68.66	360.79	9.52	-59.14
COC1(C(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])CCC1	REAL300012721827	0	55	0.0	-63.82	382.94	5.69	-58.13
COC1(C(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])CCC1	REAL300012721827	1	55	0.0	-69.04	383.10	5.90	-63.14
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012721828	0	57	0.0	-67.62	390.67	9.46	-58.16
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012721828	1	57	0.0	-71.38	390.46	8.36	-63.02
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012721829	0	58	0.0	-75.72	402.58	11.27	-64.45
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012721829	1	58	0.0	-75.70	402.56	11.27	-64.43
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012721830	0	51	0.0	-79.91	368.24	8.70	-71.21
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012721830	1	51	0.0	-76.25	368.61	7.64	-68.61
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012721832	0	63	0.0	-72.00	447.48	11.53	-60.47
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012721832	1	63	0.0	-67.22	447.49	11.53	-55.69
CC(C)C1=CC=C(C(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])C=C1	REAL300012721833	0	60	0.0	-67.30	431.48	11.15	-56.15
CC(C)C1=CC=C(C(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])C=C1	REAL300012721833	1	60	0.0	-71.93	431.46	11.14	-60.79
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012721834	0	48	0.0	-70.06	340.34	9.13	-60.93
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012721834	1	48	0.0	-76.86	340.47	8.24	-68.62
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012721835	0	50	0.0	-51.29	350.69	9.56	-41.73
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012721835	1	50	0.0	-45.47	350.65	8.80	-36.67
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012721836	0	54	0.0	-80.70	368.07	9.82	-70.88
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012721836	1	54	0.0	-76.66	370.54	8.63	-68.03
CCOC1=CC=C(C(NC(=O)NCC2[N@H+](C)CCCC2(C)C)C(=O)[O-])C=C1	REAL300012721837	0	58	0.0	-72.03	422.62	9.43	-62.60
CCOC1=CC=C(C(NC(=O)NCC2[N@@H+](C)CCCC2(C)C)C(=O)[O-])C=C1	REAL300012721837	1	58	0.0	-67.50	422.63	9.43	-58.07
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012721838	0	58	0.0	-67.75	393.47	9.90	-57.85
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012721838	1	58	0.0	-83.29	390.49	10.78	-72.51
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012721839	0	58	0.0	-68.00	413.25	11.07	-56.93
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012721839	1	58	0.0	-67.13	413.28	11.05	-56.08
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012721840	0	58	0.0	-78.08	413.68	10.25	-67.83
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012721840	1	58	0.0	-78.05	414.24	9.21	-68.84
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012721841	0	54	0.0	-73.28	407.79	9.04	-64.24
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012721841	1	54	0.0	-76.83	407.80	9.16	-67.67
CC(C)CCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721842	0	56	0.0	-65.53	394.82	9.22	-56.31
CC(C)CCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721842	1	56	0.0	-65.71	395.42	9.27	-56.44
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012721843	0	55	0.0	-40.80	381.62	10.49	-30.31
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012721843	1	55	0.0	-35.24	381.21	9.43	-25.81
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012721844	0	55	0.0	-67.97	390.27	6.09	-61.88
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012721844	1	55	0.0	-65.49	385.73	6.74	-58.75
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2[N@H+](C)CCCC2(C)C)C1	REAL300012721845	0	52	0.0	-72.39	378.19	10.02	-62.37
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2[N@@H+](C)CCCC2(C)C)C1	REAL300012721845	1	52	0.0	-76.83	377.85	9.10	-67.73
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012721846	0	55	0.0	-71.81	370.45	9.99	-61.82
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012721846	1	55	0.0	-71.03	373.64	8.67	-62.36
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012721847	0	52	0.0	-76.36	358.72	8.88	-67.48
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012721847	1	52	0.0	-75.86	359.20	7.79	-68.07
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012721848	0	55	0.0	-75.45	378.84	9.44	-66.01
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012721848	1	55	0.0	-70.19	378.60	9.48	-60.71
CN(C(=O)NCC1[N@H+](C)CCCC1(C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012721849	0	57	0.0	-72.69	404.05	12.20	-60.49
CN(C(=O)NCC1[N@@H+](C)CCCC1(C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012721849	1	57	0.0	-66.65	403.35	11.07	-55.58
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012721850	0	61	0.0	-52.28	412.37	11.05	-41.23
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012721850	1	61	0.0	-35.15	410.31	10.39	-24.76
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012721851	0	54	0.0	-68.66	376.81	7.70	-60.96
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012721851	1	54	0.0	-67.41	371.39	8.66	-58.75
CO[C@H](C)[C@H](NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721852	0	51	0.0	-66.98	365.10	6.38	-60.60
CO[C@H](C)[C@H](NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721852	1	51	0.0	-73.15	365.10	6.38	-66.77
CC1[C@@H](C)[C@@]1(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721853	0	51	0.0	-73.16	348.81	7.59	-65.57
CC1[C@@H](C)[C@@]1(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721853	1	51	0.0	-76.23	354.25	8.67	-67.56
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012721854	0	54	0.0	-47.13	390.90	11.92	-35.21
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012721854	1	54	0.0	-43.94	392.51	10.91	-33.03
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012721855	0	54	0.0	-52.51	376.19	9.38	-43.13
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012721855	1	54	0.0	-34.85	372.30	8.72	-26.13
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012721856	0	55	0.0	-47.92	397.73	11.74	-36.18
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012721856	1	55	0.0	-52.28	398.16	10.66	-41.62
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012721857	0	51	0.0	-76.93	356.27	10.09	-66.84
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012721857	1	51	0.0	-77.11	355.05	10.40	-66.71
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012721858	0	48	0.0	-74.44	343.72	9.24	-65.20
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012721858	1	48	0.0	-79.43	344.27	8.19	-71.24
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012721859	0	54	0.0	-63.54	399.04	10.23	-53.31
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012721859	1	54	0.0	-68.25	400.44	9.18	-59.07
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012721860	0	51	0.0	-66.78	384.36	9.09	-57.69
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012721860	1	51	0.0	-67.97	384.74	8.07	-59.90
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012721861	0	51	0.0	-73.27	364.17	8.73	-64.54
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012721861	1	51	0.0	-77.37	363.49	9.80	-67.57
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012721862	0	55	0.0	-72.34	398.19	9.89	-62.45
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012721862	1	55	0.0	-74.40	399.02	8.78	-65.62
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012721863	0	59	0.0	-70.26	422.57	11.55	-58.71
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012721863	1	59	0.0	-78.13	422.19	11.49	-66.64
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012721864	0	51	0.0	-66.78	384.36	9.09	-57.69
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012721864	1	51	0.0	-67.97	384.74	8.07	-59.90
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012721865	0	55	0.0	-81.86	371.63	10.13	-71.73
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012721865	1	55	0.0	-77.83	372.07	9.15	-68.68
COCCCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721866	0	54	0.0	-65.04	389.43	6.99	-58.05
COCCCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721866	1	54	0.0	-65.31	390.03	7.04	-58.27
CCCC(C(=O)[O-])N(C)C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300012721867	0	53	0.0	-69.12	367.02	9.89	-59.23
CCCC(C(=O)[O-])N(C)C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300012721867	1	53	0.0	-64.66	367.56	8.86	-55.80
CCOCC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721868	0	51	0.0	-67.01	368.32	6.34	-60.67
CCOCC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300012721868	1	51	0.0	-68.14	369.22	5.35	-62.79
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012721869	0	56	0.0	-72.56	386.27	8.45	-64.11
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012721869	1	56	0.0	-65.87	385.71	9.56	-56.31
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012721870	0	55	0.0	-69.08	386.61	6.58	-62.50
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012721870	1	55	0.0	-74.22	386.89	6.65	-67.57
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012721871	0	55	0.0	-75.18	390.72	10.47	-64.71
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012721871	1	55	0.0	-71.79	391.41	9.39	-62.40
C[C@H]1OCCN(C(=O)NCC2[N@H+](C)CCCC2(C)C)[C@@H]1C(=O)[O-]	REAL300012721872	0	52	0.0	-75.66	355.84	8.31	-67.35
C[C@H]1OCCN(C(=O)NCC2[N@@H+](C)CCCC2(C)C)[C@@H]1C(=O)[O-]	REAL300012721872	1	52	0.0	-78.52	356.41	7.21	-71.31
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012721873	0	54	0.0	-72.78	376.52	9.98	-62.80
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012721873	1	54	0.0	-70.28	376.66	8.92	-61.36
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012721874	0	48	0.0	-66.82	355.12	7.65	-59.17
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012721874	1	48	0.0	-67.51	355.95	7.65	-59.86
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012721875	0	65	0.0	-76.87	426.97	11.31	-65.56
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012721875	1	65	0.0	-70.89	427.66	11.24	-59.65
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012721876	0	57	0.0	-69.10	418.01	10.52	-58.58
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012721876	1	57	0.0	-75.00	419.40	9.46	-65.54
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012721877	0	51	0.0	-45.31	374.00	8.99	-36.32
C[N@H+]1CCCC(C)(C)C1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012721877	1	51	0.0	-44.57	374.24	9.05	-35.52
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012721878	0	62	0.0	-79.21	407.55	10.90	-68.31
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012721878	1	62	0.0	-81.10	408.31	9.44	-71.66
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012721879	0	53	0.0	-73.83	405.10	8.87	-64.96
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012721879	1	53	0.0	-67.29	405.81	7.73	-59.56
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2[N@H+](C)CCCC2(C)C)C1	REAL300012721880	0	55	0.0	-70.88	388.19	9.07	-61.81
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2[N@@H+](C)CCCC2(C)C)C1	REAL300012721880	1	55	0.0	-78.28	389.02	8.98	-69.30
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2(C)CC2)CC1	REAL300012724371	0	53	0.0	-61.82	400.73	7.06	-54.76
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC=NN2C(C)(C)C)CC1	REAL300012725660	0	58	0.0	-67.61	438.14	7.75	-59.86
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(S(C)(=O)=O)CCC2)CC1	REAL300012725965	0	56	0.0	-72.63	432.11	4.10	-68.53
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2C[C@H](C3=CC=CC=C3F)C2)CC1	REAL300012727335	0	57	0.0	-67.58	440.08	9.39	-58.19
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCS(=O)(=O)C2)CC1	REAL300012727827	0	56	0.0	-72.61	431.96	3.92	-68.69
CC[C@@H]1C[C@H]1NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012728183	0	50	0.0	-58.23	378.94	6.48	-51.75
CCC[C@@H]1C[C@H]1NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012728297	0	53	0.0	-62.59	405.66	7.50	-55.09
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C(F)(F)F)CC2)CC1	REAL300012729017	0	50	0.0	-60.40	400.41	6.87	-53.53
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C(F)(F)F)CC1	REAL300012729262	0	52	0.0	-56.61	398.39	6.63	-49.98
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CN=C3CCCCN23)CC1	REAL300012730050	0	57	0.0	-63.77	434.69	7.54	-56.23
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC23CC3)CC1	REAL300012730591	0	51	0.0	-62.37	395.30	7.45	-54.92
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOCCS(N)(=O)=O)CC1	REAL300012730827	0	55	0.0	-67.67	438.24	-0.76	-68.43
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CC2CCC1C2	REAL300012732164	0	60	0.0	-58.14	430.25	8.77	-49.37
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=NN=C2C=CC=CN21	REAL300012732996	0	55	0.0	-74.64	432.13	8.41	-66.23
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=NN=CN1C	REAL300012733403	0	52	0.0	-72.63	406.11	7.15	-65.48
C=CCOCC(NC(=O)NC1CC[N@@H+]2CCCCC12)C(=O)[O-]	REAL300012734019	0	47	0.0	-71.52	367.50	5.31	-66.21
C=CCOCC(NC(=O)NC1CC[N@H+]2CCCCC12)C(=O)[O-]	REAL300012734019	1	47	0.0	-72.21	367.38	5.36	-66.85
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCCC12)C1CCOCC1	REAL300012734020	0	50	0.0	-72.11	365.36	5.32	-66.79
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCCC12)C1CCOCC1	REAL300012734020	1	50	0.0	-72.05	362.00	5.61	-66.44
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCCC12)C1=CC=C(F)C(F)=C1	REAL300012734021	0	46	0.0	-64.06	366.34	8.00	-56.06
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCCC12)C1=CC=C(F)C(F)=C1	REAL300012734021	1	46	0.0	-67.66	369.78	7.75	-59.91
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCCC12)C1=CC=C(Cl)C(F)=C1	REAL300012734022	0	46	0.0	-63.97	376.23	8.44	-55.53
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCCC12)C1=CC=C(Cl)C(F)=C1	REAL300012734022	1	46	0.0	-67.19	379.43	8.27	-58.92
COC1CCN(C(=O)NC2CC[N@@H+]3CCCCC23)C(C(=O)[O-])C1	REAL300012734023	0	50	0.0	-79.57	357.61	7.87	-71.70
COC1CCN(C(=O)NC2CC[N@H+]3CCCCC23)C(C(=O)[O-])C1	REAL300012734023	1	50	0.0	-80.70	358.63	8.17	-72.53
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCCC12)C1CCCOC1	REAL300012734024	0	50	0.0	-68.31	367.43	5.89	-62.42
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCCC12)C1CCCOC1	REAL300012734024	1	50	0.0	-70.20	370.84	5.62	-64.58
CC1CCN(C(=O)NC2CC[N@@H+]3CCCCC23)C(C(=O)[O-])C1	REAL300012734025	0	49	0.0	-79.49	348.67	9.56	-69.93
CC1CCN(C(=O)NC2CC[N@H+]3CCCCC23)C(C(=O)[O-])C1	REAL300012734025	1	49	0.0	-80.16	342.12	9.41	-70.75
CC1=CC(C(NC(=O)NC2CC[N@@H+]3CCCCC23)C(=O)[O-])=CC=C1F	REAL300012734026	0	49	0.0	-68.08	380.14	8.66	-59.42
CC1=CC(C(NC(=O)NC2CC[N@H+]3CCCCC23)C(=O)[O-])=CC=C1F	REAL300012734026	1	49	0.0	-67.74	383.55	8.40	-59.34
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCCC12)C1=CC=C2OCCC2=C1	REAL300012734027	0	51	0.0	-71.28	389.38	7.85	-63.43
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCCC12)C1=CC=C2OCCC2=C1	REAL300012734027	1	51	0.0	-70.98	389.63	7.75	-63.23
CC1=CC(C(NC(=O)NC2CC[N@@H+]3CCCCC23)C(=O)[O-])=CC(C)=C1	REAL300012734028	0	52	0.0	-72.27	396.54	9.26	-63.01
CC1=CC(C(NC(=O)NC2CC[N@H+]3CCCCC23)C(=O)[O-])=CC(C)=C1	REAL300012734028	1	52	0.0	-69.96	399.26	8.95	-61.01
CC1=CC=C(C(NC(=O)NC2CC[N@@H+]3CCCCC23)C(=O)[O-])C=C1C	REAL300012734029	0	52	0.0	-71.83	391.86	9.17	-62.66
CC1=CC=C(C(NC(=O)NC2CC[N@H+]3CCCCC23)C(=O)[O-])C=C1C	REAL300012734029	1	52	0.0	-71.57	395.23	8.91	-62.66
COC1=CC=C(C(NC(=O)NC2CC[N@@H+]3CCCCC23)C(=O)[O-])C=C1Cl	REAL300012734030	0	50	0.0	-67.11	399.16	7.74	-59.37
COC1=CC=C(C(NC(=O)NC2CC[N@H+]3CCCCC23)C(=O)[O-])C=C1Cl	REAL300012734030	1	50	0.0	-69.28	402.34	7.53	-61.75
CC1=CC=CC(C(NC(=O)NC2CC[N@@H+]3CCCCC23)C(=O)[O-])=C1C	REAL300012734031	0	52	0.0	-71.24	384.44	9.03	-62.21
CC1=CC=CC(C(NC(=O)NC2CC[N@H+]3CCCCC23)C(=O)[O-])=C1C	REAL300012734031	1	52	0.0	-70.00	387.74	8.67	-61.33
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CC(C)(C)CC(NC(=O)NC1CC[N@@H+]2CCCCC12)C(=O)[O-]	REAL300012734248	0	51	0.0	-70.84	371.65	7.93	-62.91
CC(C)(C)CC(NC(=O)NC1CC[N@H+]2CCCCC12)C(=O)[O-]	REAL300012734248	1	51	0.0	-71.47	368.36	8.21	-63.26
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCCC12)C1CCCCO1	REAL300012734249	0	50	0.0	-74.01	368.02	5.98	-68.03
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCCC12)C1CCCCO1	REAL300012734249	1	50	0.0	-73.32	368.34	6.39	-66.93
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCCC12)C1=CC=CC(Br)=C1	REAL300012734250	0	46	0.0	-68.28	374.98	8.51	-59.77
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCCC12)C1=CC=CC(Br)=C1	REAL300012734250	1	46	0.0	-66.86	378.32	8.25	-58.61
O=C([O-])C1(NC(=O)NC2CC[N@@H+]3CCCCC23)CC2=CC=CC=C2C1	REAL300012734251	0	50	0.0	-73.79	373.20	9.11	-64.68
O=C([O-])C1(NC(=O)NC2CC[N@H+]3CCCCC23)CC2=CC=CC=C2C1	REAL300012734251	1	50	0.0	-72.31	373.19	9.19	-63.12
C[C@H]1OCCN(C(=O)NC2CC[N@@H+]3CCCCC23)[C@@H]1C(=O)[O-]	REAL300012734252	0	47	0.0	-77.47	342.16	7.01	-70.46
C[C@H]1OCCN(C(=O)NC2CC[N@H+]3CCCCC23)[C@@H]1C(=O)[O-]	REAL300012734252	1	47	0.0	-75.85	342.83	6.99	-68.86
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[N@@H+]2CCCCC12	REAL300012734253	0	49	0.0	-70.86	358.76	8.74	-62.12
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC[N@H+]2CCCCC12	REAL300012734253	1	49	0.0	-70.63	362.49	8.42	-62.21
O=C([O-])C(NC(=O)NC1CC[N@@H+]2CCCCC12)C12CC3CC(CC(C3)C1)C2	REAL300012734254	0	60	0.0	-75.05	413.36	9.65	-65.40
O=C([O-])C(NC(=O)NC1CC[N@H+]2CCCCC12)C12CC3CC(CC(C3)C1)C2	REAL300012734254	1	60	0.0	-74.23	408.45	9.95	-64.28
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[N@@H+]2CCCCC12	REAL300012734255	0	52	0.0	-70.65	400.41	9.20	-61.45
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC[N@H+]2CCCCC12	REAL300012734255	1	52	0.0	-74.68	409.23	8.78	-65.90
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[N@@H+]2CCCCC12	REAL300012734256	0	46	0.0	-57.72	359.48	8.48	-49.24
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC[N@H+]2CCCCC12	REAL300012734256	1	46	0.0	-57.81	356.10	8.76	-49.05
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[N@@H+]2CCCCC12	REAL300012734257	0	57	0.0	-75.51	391.13	9.08	-66.43
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC[N@H+]2CCCCC12	REAL300012734257	1	57	0.0	-79.23	386.25	9.48	-69.75
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[N@@H+]2CCCCC12	REAL300012734258	0	48	0.0	-66.97	387.67	7.46	-59.51
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC[N@H+]2CCCCC12	REAL300012734258	1	48	0.0	-65.81	387.73	7.46	-58.35
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@@H+]3CCCCC23)C1	REAL300012734259	0	50	0.0	-72.88	373.88	7.45	-65.43
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[N@H+]3CCCCC23)C1	REAL300012734259	1	50	0.0	-73.76	370.56	7.77	-65.99
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CS1	REAL300012734906	0	53	0.0	-62.61	414.19	7.72	-54.89
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3=CC(Cl)=CC=C32)CC1	REAL300012735470	0	54	0.0	-64.97	428.68	9.01	-55.96
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3=CC(F)=CC=C32)CC1	REAL300012735906	0	54	0.0	-65.34	418.35	8.56	-56.78
CC1=CC=C2C(=C1)CCC2NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012736396	0	57	0.0	-67.24	433.37	9.17	-58.07
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1[N+](=O)[O-]	REAL300012737431	0	55	0.0	-66.64	427.65	8.68	-57.96
C[C@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=N1	REAL300012737666	0	52	0.0	-67.08	405.07	6.66	-60.42
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3CC2C2CCCC32)CC1	REAL300012738162	0	61	0.0	-63.01	432.99	9.05	-53.96
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC(O)=C1	REAL300012738417	0	54	0.0	-63.23	419.68	5.40	-57.83
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012738719	0	59	0.0	-63.64	454.67	10.53	-53.11
CC(C)C[C@H](NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738847	0	59	0.0	-77.46	453.04	8.87	-68.59
C=CC(C)C(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738848	0	57	0.0	-77.30	438.85	8.40	-68.90
CCCN(CC(=O)[O-])C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738849	0	56	0.0	-73.78	433.77	10.14	-63.64
CC(C)C(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738850	0	56	0.0	-76.42	425.46	7.88	-68.54
CC(NC(=O)N1CCCCC1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738851	0	57	0.0	-81.17	423.33	10.62	-70.55
CC(NC(=O)N1CCCC1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738852	0	54	0.0	-79.15	411.84	9.41	-69.74
CC(NC(=O)NC1(C(=O)[O-])CCCC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738853	0	57	0.0	-79.76	428.13	8.61	-71.15
CC(NC(=O)NCC(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738854	0	47	0.0	-68.98	371.72	5.73	-63.25
CCC(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738855	0	53	0.0	-76.66	413.50	7.59	-69.07
CC(C)C(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738856	0	56	0.0	-76.42	425.46	7.88	-68.54
CC(NC(=O)N(C)CC(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738857	0	50	0.0	-73.85	390.46	8.40	-65.45
CC(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738858	0	50	0.0	-69.99	392.34	6.57	-63.42
CCC(C)C(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738859	0	59	0.0	-76.38	446.54	8.74	-67.64
CC(NC(=O)N(C)CC(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738860	0	50	0.0	-73.85	390.46	8.40	-65.45
CC(NC(=O)N1CCCCC1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738861	0	57	0.0	-81.17	423.33	10.62	-70.55
CCCC(C)(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738862	0	59	0.0	-76.25	439.97	8.70	-67.55
CC(C)N(CC(=O)[O-])C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738863	0	56	0.0	-72.83	425.00	9.82	-63.01
CC(NC(=O)N(CC(=O)[O-])C1CC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738864	0	54	0.0	-68.56	417.92	10.09	-58.47
C=CCN(CC(=O)[O-])C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738865	0	54	0.0	-73.59	425.08	9.95	-63.64
CC(C)CN(CC(=O)[O-])C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738866	0	59	0.0	-73.56	448.18	10.46	-63.10
CC(NC(=O)NC(C)(C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738867	0	53	0.0	-69.05	405.09	6.95	-62.10
CC(NC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738868	0	57	0.0	-74.20	427.97	8.69	-65.51
CC(C)N(CC(=O)[O-])C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738869	0	56	0.0	-72.83	425.00	9.82	-63.01
CCCN(CC(=O)[O-])C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738870	0	56	0.0	-73.78	433.77	10.14	-63.64
CCN(CC(=O)[O-])C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738871	0	53	0.0	-73.79	412.27	9.38	-64.41
CC[C@H](C)[C@H](NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738872	0	59	0.0	-76.98	443.92	8.51	-68.47
CC(NC(=O)NC1(C(=O)[O-])CCCC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738873	0	57	0.0	-79.76	428.13	8.61	-71.15
CCC(C)(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738874	0	56	0.0	-75.91	418.48	7.95	-67.96
CC(NC(=O)N[C@@H](C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738875	0	50	0.0	-69.99	392.34	6.57	-63.42
CCN(CC(=O)[O-])C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738876	0	53	0.0	-73.79	412.27	9.38	-64.41
CC(NC(=O)N[C@H](C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738877	0	50	0.0	-69.51	392.82	6.51	-63.00
CC(NC(=O)NC1(C(=O)[O-])CC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738878	0	51	0.0	-76.90	398.66	7.75	-69.15
CC(NC(=O)N1CCOCC1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738879	0	55	0.0	-78.65	414.40	8.12	-70.53
CC(NC(=O)NC(C(=O)[O-])C1CC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738880	0	54	0.0	-74.85	418.57	8.04	-66.81
COCCN(CC(=O)[O-])C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738881	0	57	0.0	-75.47	443.64	8.57	-66.90
CC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738882	0	54	0.0	-79.01	412.55	9.14	-69.87
CC(NC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738883	0	57	0.0	-81.47	422.92	10.56	-70.91
CC(NC(=O)N(C)[C@H](C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738884	0	53	0.0	-74.40	403.05	8.51	-65.89
CC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738885	0	54	0.0	-79.59	412.65	9.12	-70.47
CC(NC(=O)NC1(C(=O)[O-])CCC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738886	0	54	0.0	-79.87	414.25	8.20	-71.67
C=CCC(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738887	0	54	0.0	-74.00	427.62	8.03	-65.97
CC(NC(=O)N1CCCC1(C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738888	0	57	0.0	-81.25	430.17	10.03	-71.22
CC(NC(=O)NC(C(=O)[O-])C1CC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738889	0	54	0.0	-74.85	418.57	8.04	-66.81
CC(NC(=O)N(C)C(C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738890	0	53	0.0	-74.07	404.29	8.58	-65.49
CCCCC(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738891	0	59	0.0	-76.93	457.34	9.11	-67.82
CC(NC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738892	0	57	0.0	-81.21	430.21	10.03	-71.18
COCC(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738893	0	54	0.0	-76.25	426.20	5.81	-70.44
CC(NC(=O)N(C(C)C(=O)[O-])C1CC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738894	0	57	0.0	-69.82	429.74	9.88	-59.94
COCC(C)(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738895	0	57	0.0	-79.74	436.72	7.23	-72.51
CC(C)CN(CC(=O)[O-])C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738896	0	59	0.0	-73.56	448.18	10.46	-63.10
CC(NC(=O)N(CC(=O)[O-])C1CC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738897	0	54	0.0	-68.56	417.92	10.09	-58.47
CC(NC(=O)NC1(C(=O)[O-])CCOC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738898	0	55	0.0	-75.24	419.99	6.07	-69.17
C=CCCC(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738899	0	57	0.0	-76.64	448.65	8.90	-67.74
CC(NC(=O)NC(CF)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738900	0	50	0.0	-66.87	396.13	6.57	-60.30
CC(NC(=O)N(C)C(C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738901	0	53	0.0	-74.07	404.29	8.58	-65.49
CCC(CC)(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738902	0	59	0.0	-76.92	435.15	8.83	-68.09
CCC(C)N(CC(=O)[O-])C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738903	0	59	0.0	-73.76	443.00	10.73	-63.03
CC(NC(=O)NC(CC1CC1)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738904	0	57	0.0	-73.86	446.21	9.08	-64.78
COCCC(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738905	0	57	0.0	-76.83	447.18	6.65	-70.18
CCCN(C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012738906	0	59	0.0	-72.88	443.87	10.26	-62.62
CC(NC(=O)NC(CCF)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738907	0	53	0.0	-75.36	420.10	7.73	-67.63
CC(NC(=O)NC(C)(CCF)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738908	0	56	0.0	-73.11	425.07	8.08	-65.03
CC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738909	0	53	0.0	-74.07	404.29	8.58	-65.49
CC(NC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738910	0	55	0.0	-84.33	420.26	9.98	-74.35
CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738911	0	59	0.0	-76.03	443.87	8.61	-67.42
C=C(C)CC(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738912	0	57	0.0	-74.06	445.67	8.94	-65.12
CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738913	0	54	0.0	-76.74	418.37	9.48	-67.26
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC(C)C2=CC(F)=CC=C2N2CC[NH+](C)CC2)C1	REAL300012738914	0	55	0.0	-79.35	426.07	9.48	-69.87
CC(C)C[C@H](NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738915	0	59	0.0	-77.46	453.04	8.87	-68.59
CC(NC(=O)NC(CC1CC1)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738916	0	57	0.0	-73.86	446.21	9.08	-64.78
CSCC(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738917	0	54	0.0	-72.75	438.04	7.92	-64.83
COC[C@H](NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738918	0	54	0.0	-79.21	426.19	5.80	-73.41
CC[C@H](NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738919	0	53	0.0	-76.66	413.50	7.59	-69.07
CC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738920	0	54	0.0	-79.01	412.55	9.14	-69.87
CCCC(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738921	0	56	0.0	-77.06	435.84	8.34	-68.72
CC(C)[C@@H](NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738922	0	56	0.0	-73.92	425.78	7.97	-65.95
CCN(C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(C)(C)C(=O)[O-]	REAL300012738923	0	59	0.0	-75.28	438.49	10.35	-64.93
CCCN(C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012738924	0	59	0.0	-72.88	443.87	10.26	-62.62
CC(NC(=O)N(C)C(C)(C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738925	0	56	0.0	-75.53	419.46	9.49	-66.04
CC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738926	0	54	0.0	-79.59	412.65	9.12	-70.47
CC(NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738927	0	55	0.0	-80.03	425.12	5.78	-74.25
CCC[C@@H](NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738928	0	56	0.0	-73.92	435.59	8.39	-65.53
C=CCCC(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738929	0	57	0.0	-76.64	448.65	8.90	-67.74
CC(NC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738930	0	57	0.0	-81.61	429.00	9.95	-71.66
CC(C)[C@H](NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738931	0	56	0.0	-76.42	425.46	7.88	-68.54
CC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738932	0	53	0.0	-74.07	404.29	8.58	-65.49
CCC[C@H](NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738933	0	56	0.0	-76.59	435.00	8.35	-68.24
CCN(C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012738934	0	56	0.0	-74.78	423.14	9.53	-65.25
CC(CN(C)C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738935	0	56	0.0	-73.09	424.69	9.06	-64.03
CC[C@H](C)[C@H](NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738936	0	59	0.0	-76.98	443.92	8.51	-68.47
CC[C@@H](C(=O)[O-])N(C)C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738937	0	56	0.0	-73.15	423.46	9.66	-63.49
COCCC(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738938	0	57	0.0	-76.83	447.18	6.65	-70.18
CC(NC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738939	0	57	0.0	-76.40	437.94	8.93	-67.47
CC(NC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738940	0	55	0.0	-87.70	423.83	5.95	-81.75
CC(NC(=O)NC(C(=O)[O-])C1CCC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738941	0	57	0.0	-78.41	433.21	8.40	-70.01
CC(NC(=O)NC(C(=O)[O-])C1CCC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738942	0	57	0.0	-78.41	433.21	8.40	-70.01
CC(NC(=O)N1CCC(C)C1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738943	0	57	0.0	-79.08	429.28	9.65	-69.43
C=CCC(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738944	0	54	0.0	-74.00	427.62	8.03	-65.97
CC(NC(=O)NC1(C(=O)[O-])COC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738945	0	52	0.0	-71.40	406.29	5.32	-66.08
CC(C)C(C)(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738946	0	59	0.0	-76.68	435.21	8.63	-68.05
CC(NC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738947	0	55	0.0	-80.96	419.94	10.58	-70.38
CCC(C(=O)[O-])N(CC)C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738948	0	59	0.0	-75.02	439.18	10.45	-64.57
CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738949	0	54	0.0	-76.74	418.37	9.48	-67.26
CO[C@H](C)[C@H](NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738950	0	57	0.0	-78.95	444.34	6.81	-72.14
CC(NC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738951	0	57	0.0	-77.16	427.37	8.74	-68.42
CCCC(C(=O)[O-])N(C)C(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738952	0	59	0.0	-72.24	447.32	10.50	-61.74
CCOCC(NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012738953	0	57	0.0	-76.50	448.05	6.79	-69.71
CC(NC(=O)NC(CCC#N)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738954	0	54	0.0	-77.80	435.19	8.07	-69.73
CC(NC(=O)N(C)[C@H](C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300012738955	0	53	0.0	-74.40	403.05	8.51	-65.89
C[C@@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(F)C=C1F	REAL300012739126	0	53	0.0	-60.14	419.51	8.42	-51.72
C[C@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(F)C=C1F	REAL300012739429	0	53	0.0	-61.01	419.54	8.42	-52.59
CC1=NOC(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012739672	0	51	0.0	-61.98	403.09	3.79	-58.19
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CSC=C1	REAL300012739883	0	50	0.0	-62.27	399.33	7.21	-55.06
C=CCOCC(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740197	0	49	0.0	-81.39	381.99	5.73	-75.66
CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C1CC[NH+](C)CC1	REAL300012740198	0	52	0.0	-81.03	379.66	5.67	-75.36
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CC[NH+](C)CC1	REAL300012740199	0	48	0.0	-73.86	378.29	7.90	-65.96
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CC[NH+](C)CC1	REAL300012740200	0	48	0.0	-74.23	388.41	8.26	-65.97
COC1CCN(C(=O)NC(C)C2CC[NH+](C)CC2)C(C(=O)[O-])C1	REAL300012740201	0	52	0.0	-91.64	371.64	7.55	-84.09
CC(NC(=O)NC(C(=O)[O-])C1CCCOC1)C1CC[NH+](C)CC1	REAL300012740202	0	52	0.0	-78.12	374.11	5.45	-72.67
CC(NC(=O)N1CCC(C)CC1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740203	0	51	0.0	-91.06	353.33	8.93	-82.13
CC1=CC(C(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])=CC=C1F	REAL300012740204	0	51	0.0	-76.96	392.28	8.48	-68.48
CC(NC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1CC[NH+](C)CC1	REAL300012740205	0	53	0.0	-80.45	401.48	7.62	-72.83
CC1=CC(C(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])=CC(C)=C1	REAL300012740206	0	54	0.0	-82.15	408.36	9.10	-73.05
CC1=CC=C(C(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])C=C1C	REAL300012740207	0	54	0.0	-81.75	404.24	8.90	-72.85
COC1=CC=C(C(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])C=C1Cl	REAL300012740208	0	52	0.0	-80.01	411.08	7.63	-72.38
CC1=CC=CC(C(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])=C1C	REAL300012740209	0	54	0.0	-76.72	401.65	8.98	-67.74
COC1=CC=C(C(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])C=C1F	REAL300012740210	0	52	0.0	-80.72	401.27	7.14	-73.58
CC(NC(=O)N(C(C)C(=O)[O-])C1CCC1)C1CC[NH+](C)CC1	REAL300012740211	0	51	0.0	-59.43	367.39	8.73	-50.70
CCCN(C(=O)NC(C)C1CC[NH+](C)CC1)C(COC)C(=O)[O-]	REAL300012740212	0	54	0.0	-78.16	393.13	8.16	-70.00
CCCN(C(=O)NC(C)C1CC[NH+](C)CC1)C(CC)C(=O)[O-]	REAL300012740213	0	53	0.0	-76.02	381.21	9.33	-66.69
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CC[NH+](C)CC1	REAL300012740214	0	48	0.0	-77.07	381.91	8.26	-68.81
CC(NC(=O)N1CCSCC1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740215	0	46	0.0	-88.51	339.48	8.64	-79.87
CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C1CC[NH+](C)CC1	REAL300012740216	0	51	0.0	-84.63	359.16	7.83	-76.80
CC(NC(=O)NC1(C(=O)[O-])CCCCCC1)C1CC[NH+](C)CC1	REAL300012740217	0	54	0.0	-84.48	364.82	8.50	-75.98
CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740218	0	51	0.0	-80.86	387.84	8.70	-72.16
CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300012740219	0	51	0.0	-59.65	392.43	10.71	-48.94
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300012740220	0	48	0.0	-79.98	371.44	8.04	-71.94
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300012740221	0	48	0.0	-80.48	365.55	7.78	-72.70
CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740222	0	51	0.0	-80.86	387.84	8.70	-72.16
CC(NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740223	0	52	0.0	-92.39	377.66	10.77	-81.62
CC(NC(=O)NC(C(=O)[O-])C1=CC=CS1)C1CC[NH+](C)CC1	REAL300012740224	0	45	0.0	-73.91	362.67	7.08	-66.83
CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C1CC[NH+](C)CC1	REAL300012740225	0	51	0.0	-84.63	359.16	7.83	-76.80
CC(NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C1CC[NH+](C)CC1	REAL300012740226	0	51	0.0	-62.12	403.30	10.95	-51.17
CC(NC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740227	0	55	0.0	-77.67	422.98	8.98	-68.69
COC1=CC(CN(CC(=O)[O-])C(=O)NC(C)C2CC[NH+](C)CC2)=CC(OC)=C1	REAL300012740228	0	59	0.0	-66.88	445.51	9.05	-57.83
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C1CC[NH+](C)CC1	REAL300012740229	0	48	0.0	-76.92	386.47	8.36	-68.56
CC(NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1CC[NH+](C)CC1	REAL300012740230	0	51	0.0	-62.27	392.98	10.50	-51.77
CC(NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1CC[NH+](C)CC1	REAL300012740231	0	52	0.0	-83.26	391.22	9.26	-74.00
CC(NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CC[NH+](C)CC1	REAL300012740232	0	48	0.0	-79.50	382.27	8.18	-71.32
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300012740233	0	51	0.0	-81.81	373.61	8.48	-73.33
CCCCCCC(C)(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740234	0	59	0.0	-79.86	425.64	9.35	-70.51
CC(NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740235	0	54	0.0	-78.40	397.09	10.67	-67.73
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CC[NH+](C)CC1	REAL300012740236	0	48	0.0	-77.07	381.91	8.26	-68.81
CC(NC(=O)N(C)C1(C(=O)[O-])CCCCC1)C1CC[NH+](C)CC1	REAL300012740237	0	54	0.0	-79.76	374.28	9.41	-70.35
CC(NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CC[NH+](C)CC1	REAL300012740238	0	54	0.0	-65.62	408.98	11.22	-54.40
CC(NC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300012740239	0	51	0.0	-78.58	372.77	9.28	-69.30
COCCN(CC(=O)[O-])C(=O)NC(C)C1CC[NH+](C)CC1	REAL300012740240	0	48	0.0	-60.14	364.81	6.89	-53.25
CC(NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1CC[NH+](C)CC1	REAL300012740241	0	52	0.0	-81.46	386.69	9.07	-72.39
CC(NC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740242	0	55	0.0	-88.18	421.97	8.59	-79.59
CC(NC(=O)N1CCCCCC1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740243	0	51	0.0	-84.76	353.41	8.79	-75.97
CC(NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1CC[NH+](C)CC1	REAL300012740244	0	54	0.0	-65.62	408.98	11.22	-54.40
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1CC[NH+](C)CC1	REAL300012740245	0	51	0.0	-65.41	369.78	9.27	-56.14
CCCCCC(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740246	0	53	0.0	-78.80	399.76	8.28	-70.52
CCC1CCC(NC(=O)NC(C)C2CC[NH+](C)CC2)(C(=O)[O-])CC1	REAL300012740247	0	57	0.0	-83.65	398.24	9.08	-74.57
CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C1CC[NH+](C)CC1	REAL300012740248	0	52	0.0	-66.03	378.20	7.60	-58.43
CC(NC(=O)N(C)C1(C(=O)[O-])CCCC1)C1CC[NH+](C)CC1	REAL300012740249	0	51	0.0	-80.98	360.96	8.70	-72.28
CCC(C(=O)[O-])N(C(=O)NC(C)C1CC[NH+](C)CC1)C1CC1	REAL300012740250	0	51	0.0	-79.21	361.54	9.17	-70.04
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1CC[NH+](C)CC1	REAL300012740251	0	48	0.0	-77.71	382.42	8.43	-69.28
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1CC[NH+](C)CC1	REAL300012740252	0	48	0.0	-81.64	375.83	8.12	-73.52
CC(NC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740253	0	52	0.0	-67.99	386.52	10.39	-57.60
CC(NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740254	0	51	0.0	-84.72	401.96	8.92	-75.80
CC(NC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740255	0	57	0.0	-85.60	431.67	10.64	-74.96
CC(NC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740256	0	57	0.0	-79.88	409.97	8.83	-71.05
CC(NC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300012740257	0	54	0.0	-63.53	394.48	11.10	-52.43
CC1=CC=C(C(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012740258	0	51	0.0	-80.60	386.99	8.46	-72.14
CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740259	0	44	0.0	-72.93	351.44	6.58	-66.35
CC(NC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CC[NH+](C)CC1	REAL300012740260	0	54	0.0	-82.14	411.52	10.04	-72.10
CC(NC(=O)NC1(C(=O)[O-])CCSCC1)C1CC[NH+](C)CC1	REAL300012740261	0	49	0.0	-79.46	356.87	7.53	-71.93
COCC(C)(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740262	0	48	0.0	-78.94	357.89	5.54	-73.40
CCOCC(C(=O)[O-])N(C)C(=O)NC(C)C1CC[NH+](C)CC1	REAL300012740263	0	51	0.0	-75.97	378.50	7.30	-68.67
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC(C)C1CC[NH+](C)CC1	REAL300012740264	0	57	0.0	-62.09	406.11	10.89	-51.20
CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CC[NH+](C)CC1	REAL300012740265	0	47	0.0	-58.48	373.07	8.85	-49.63
CC(NC(=O)NC(C(=O)[O-])C1CCCCC1)C1CC[NH+](C)CC1	REAL300012740266	0	54	0.0	-76.05	394.20	8.34	-67.71
CC(NC(=O)N(C)C(COC1CCC1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740267	0	55	0.0	-76.53	398.95	8.40	-68.13
CC(NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300012740268	0	55	0.0	-92.66	403.71	11.78	-80.88
CC(NC(=O)NC1(C(=O)[O-])CCOCC1)C1CC[NH+](C)CC1	REAL300012740269	0	49	0.0	-83.48	350.58	5.34	-78.14
CC(NC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740270	0	54	0.0	-85.23	394.06	11.26	-73.97
COC1=CC=C(C(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012740271	0	52	0.0	-80.60	394.67	7.03	-73.57
CCC(COC)(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740272	0	51	0.0	-85.30	374.33	6.46	-78.84
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC(C)C1CC[NH+](C)CC1	REAL300012740273	0	54	0.0	-76.64	398.78	8.06	-68.58
CC(NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1CC[NH+](C)CC1	REAL300012740274	0	51	0.0	-83.98	375.71	3.82	-80.16
COCCC(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740275	0	48	0.0	-78.98	368.94	5.01	-73.97
CC(C)CC(C(=O)[O-])N(C)C(=O)NC(C)C1CC[NH+](C)CC1	REAL300012740276	0	53	0.0	-74.96	384.84	9.38	-65.58
CC(NC(=O)NC(CC(F)F)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740277	0	44	0.0	-77.88	347.61	6.24	-71.64
CCCC1(C(=O)[O-])CCCN1C(=O)NC(C)C1CC[NH+](C)CC1	REAL300012740278	0	54	0.0	-83.68	386.04	10.30	-73.38
CC(NC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740279	0	54	0.0	-52.61	400.18	11.44	-41.17
CCC(NC(=O)NC(C)C1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012740280	0	54	0.0	-79.19	407.31	9.89	-69.30
CCC(NC(=O)NC(C)C1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012740281	0	54	0.0	-83.43	390.47	9.34	-74.09
COC1CCCC(C(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])C1	REAL300012740282	0	58	0.0	-85.15	415.83	6.83	-78.32
COC1(CC(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])CCC1	REAL300012740283	0	55	0.0	-81.47	399.40	7.07	-74.40
CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C1CC[NH+](C)CC1	REAL300012740284	0	52	0.0	-66.03	378.20	7.60	-58.43
CC(NC(=O)N(CC(=O)[O-])C1CCCCC1)C1CC[NH+](C)CC1	REAL300012740285	0	54	0.0	-65.91	387.15	9.98	-55.93
CC(NC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)C1CC[NH+](C)CC1	REAL300012740286	0	54	0.0	-84.89	372.97	8.21	-76.68
COC1=CC=CC(C(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012740287	0	52	0.0	-83.60	395.06	7.07	-76.53
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)C1CC[NH+](C)CC1	REAL300012740288	0	48	0.0	-76.83	385.78	8.49	-68.34
CC(NC(=O)NC(C)(CCF)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740289	0	47	0.0	-76.08	346.24	6.40	-69.68
CC(NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740290	0	49	0.0	-68.36	363.09	8.30	-60.06
CC(NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740291	0	45	0.0	-79.68	349.46	7.57	-72.11
COC1=CC=CC([C@H](NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012740292	0	52	0.0	-83.58	395.05	7.07	-76.51
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC(C)C2CC[NH+](C)CC2)C1	REAL300012740293	0	54	0.0	-89.79	394.55	9.43	-80.36
COC1=CC=CC(CC(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300012740294	0	55	0.0	-84.60	417.52	7.95	-76.65
CC(NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1CC[NH+](C)CC1	REAL300012740295	0	57	0.0	-85.13	387.10	8.71	-76.42
CC(NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740296	0	54	0.0	-79.67	407.94	9.34	-70.33
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C1CC[NH+](C)CC1	REAL300012740297	0	53	0.0	-84.99	401.83	9.16	-75.83
COC1CN(C(=O)NC(C)C2CC[NH+](C)CC2)C(C)(C(=O)[O-])C1	REAL300012740298	0	52	0.0	-86.10	378.80	7.04	-79.06
CC(NC(=O)NC(CC1CCCOC1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740299	0	55	0.0	-78.90	406.90	6.72	-72.18
C=C(Cl)CC(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740300	0	45	0.0	-75.13	363.97	7.01	-68.12
CC(NC(=O)N1C2CCC1(C(=O)[O-])CC2)C1CC[NH+](C)CC1	REAL300012740301	0	49	0.0	-91.45	356.05	9.24	-82.21
CC(NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740302	0	54	0.0	-80.25	397.63	8.89	-71.36
CC(NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740303	0	45	0.0	-78.95	348.12	7.57	-71.38
CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740304	0	45	0.0	-79.58	343.03	7.49	-72.09
CC(NC(=O)NC(CC1CCOCC1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740305	0	55	0.0	-81.03	400.86	6.50	-74.53
CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C1CC[NH+](C)CC1	REAL300012740306	0	52	0.0	-81.03	379.66	5.67	-75.36
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300012740307	0	48	0.0	-80.48	365.55	7.78	-72.70
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CC[NH+](C)CC1	REAL300012740308	0	51	0.0	-80.24	404.52	8.70	-71.54
CC(NC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740309	0	47	0.0	-77.95	373.77	5.83	-72.12
CC(C)CCCC(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740310	0	56	0.0	-79.16	417.57	8.73	-70.43
CC(NC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740311	0	54	0.0	-78.72	417.70	9.11	-69.61
CC(NC(=O)NC(CC1CCCO1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740312	0	52	0.0	-83.46	391.45	6.34	-77.12
CSCC(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740313	0	45	0.0	-76.06	358.96	6.31	-69.75
CC(NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740314	0	51	0.0	-78.80	394.48	8.70	-70.10
CCC(C)CC(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740315	0	53	0.0	-79.84	392.32	7.91	-71.93
C=CCCCC(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740316	0	51	0.0	-79.23	391.31	7.99	-71.24
CC(NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740317	0	51	0.0	-79.57	394.42	8.69	-70.88
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C1CC[NH+](C)CC1	REAL300012740318	0	54	0.0	-80.69	412.39	10.12	-70.57
CC(NC(=O)N1CCSCC1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740319	0	46	0.0	-88.51	339.48	8.64	-79.87
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300012740320	0	51	0.0	-81.81	373.61	8.48	-73.33
CC(NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740321	0	49	0.0	-89.25	355.84	9.30	-79.95
CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CC[NH+](C)CC1	REAL300012740322	0	44	0.0	-73.19	345.02	8.10	-65.09
CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CC[NH+](C)CC1	REAL300012740323	0	44	0.0	-73.19	345.02	8.10	-65.09
CC(NC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1CC[NH+](C)CC1	REAL300012740324	0	57	0.0	-67.15	415.40	5.80	-61.35
CC(NC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])C1CC[NH+](C)CC1	REAL300012740325	1	61	0.0	-66.55	441.76	5.83	-60.72
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC(C)C1CC[NH+](C)CC1	REAL300012740326	0	52	0.0	-55.62	385.48	10.74	-44.88
CC(NC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740327	0	55	0.0	-69.18	392.30	10.68	-58.50
CC(NC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740328	0	53	0.0	-78.18	385.53	8.85	-69.33
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300012740329	0	48	0.0	-79.98	371.44	8.04	-71.94
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CC[NH+](C)CC1	REAL300012740330	0	51	0.0	-76.12	404.56	8.71	-67.41
CC(NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740331	0	53	0.0	-81.20	405.69	7.71	-73.49
CC(NC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740332	0	47	0.0	-82.53	374.59	5.64	-76.89
CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740333	0	48	0.0	-75.24	393.29	7.47	-67.77
CC(NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740334	0	48	0.0	-97.20	358.83	5.08	-92.12
CC(NC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740335	0	49	0.0	-81.33	356.66	6.77	-74.56
CC(NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300012740336	0	48	0.0	-76.64	371.63	7.97	-68.67
CC(NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740337	0	51	0.0	-83.05	375.26	7.03	-76.02
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1CC[NH+](C)CC1	REAL300012740338	0	51	0.0	-65.41	369.78	9.27	-56.14
CC(NC(=O)NC1(C(=O)[O-])CC(CO)C1)C1CC[NH+](C)CC1	REAL300012740339	0	49	0.0	-84.82	367.17	3.77	-81.05
CC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1CC[NH+](C)CC1	REAL300012740340	0	57	0.0	-81.82	412.91	6.92	-74.90
CC(NC(=O)NC1(C(=O)[O-])CCC(C)C1)C1CC[NH+](C)CC1	REAL300012740341	0	51	0.0	-83.90	371.58	7.61	-76.29
CC(NC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1CC[NH+](C)CC1	REAL300012740342	0	54	0.0	-84.30	381.06	8.36	-75.94
COCCC(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740343	0	48	0.0	-78.98	368.94	5.01	-73.97
CC(NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740344	0	54	0.0	-78.40	397.09	10.67	-67.73
CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CC[NH+](C)CC1	REAL300012740345	0	51	0.0	-85.07	373.06	8.30	-76.77
CC(NC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)C1CC[NH+](C)CC1	REAL300012740346	0	58	0.0	-86.61	420.45	10.34	-76.27
CC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1CC[NH+](C)CC1	REAL300012740347	0	57	0.0	-81.26	414.19	6.86	-74.40
CC(NC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740348	0	56	0.0	-68.35	407.93	11.25	-57.10
CC(NC(=O)NC(C(=O)[O-])C1CCOC1)C1CC[NH+](C)CC1	REAL300012740349	0	49	0.0	-79.05	356.42	4.67	-74.38
CC(NC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740350	0	49	0.0	-85.66	356.36	8.93	-76.73
CC(NC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1CC[NH+](C)CC1	REAL300012740351	0	52	0.0	-87.49	403.34	8.10	-79.39
CC(NC(=O)N1CC2CC1(C(=O)[O-])CO2)C1CC[NH+](C)CC1	REAL300012740352	0	47	0.0	-88.23	343.03	6.34	-81.89
CC(NC(=O)N1CC(C)CCC1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740353	0	51	0.0	-91.51	360.69	9.40	-82.11
CC(NC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300012740354	0	54	0.0	-79.72	403.22	9.05	-70.67
CC(NC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740355	0	55	0.0	-79.32	403.50	9.76	-69.56
CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1CC[NH+](C)CC1	REAL300012740356	0	61	0.0	-82.96	428.77	8.65	-74.31
CC(NC(=O)NC(C(=O)[O-])C1CCCCC1)C1CC[NH+](C)CC1	REAL300012740357	0	54	0.0	-76.05	394.20	8.34	-67.71
CC(NC(=O)NC(CC1CCCCO1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740358	0	55	0.0	-79.64	407.75	7.61	-72.03
CC(NC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1CC[NH+](C)CC1	REAL300012740359	0	55	0.0	-59.56	376.02	9.33	-50.23
CC(NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1CC[NH+](C)CC1	REAL300012740360	0	55	0.0	-83.59	379.68	6.63	-76.96
CC(NC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740361	0	54	0.0	-83.54	418.90	10.19	-73.35
CC1=CC=CC2=C1CCN(C(=O)NC(C)C1CC[NH+](C)CC1)C2C(=O)[O-]	REAL300012740362	0	55	0.0	-67.04	398.83	10.55	-56.49
CC(NC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740363	0	49	0.0	-61.64	351.43	8.55	-53.09
CC(NC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740364	0	55	0.0	-79.32	403.50	9.76	-69.56
CC(NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740365	0	51	0.0	-82.36	394.25	8.77	-73.59
COC1CC(NC(=O)NC(C)C2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012740366	0	49	0.0	-86.63	370.00	5.55	-81.08
CC(NC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1CC[NH+](C)CC1	REAL300012740367	0	45	0.0	-81.93	345.06	6.62	-75.31
CO[C@H]1C[C@](NC(=O)NC(C)C2CC[NH+](C)CC2)(C(=O)[O-])C1	REAL300012740368	0	49	0.0	-82.53	363.32	5.58	-76.95
CC(NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1CC[NH+](C)CC1	REAL300012740369	0	48	0.0	-69.53	376.00	7.40	-62.13
CCC1(C(=O)[O-])CCCN1C(=O)NC(C)C1CC[NH+](C)CC1	REAL300012740370	0	51	0.0	-87.27	367.16	9.51	-77.76
CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740371	0	44	0.0	-72.93	351.44	6.58	-66.35
CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740372	0	52	0.0	-78.71	390.16	6.02	-72.69
CC(NC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740373	0	48	0.0	-81.48	379.94	7.69	-73.79
COCC(NC(=O)NC(C)C1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012740374	0	55	0.0	-81.66	406.57	7.67	-73.99
CC(NC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740375	0	49	0.0	-88.61	351.72	8.30	-80.31
CC(NC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740376	0	54	0.0	-52.61	400.18	11.44	-41.17
CC(NC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740377	0	55	0.0	-84.25	427.03	8.28	-75.97
CC(NC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740378	0	57	0.0	-79.88	409.97	8.83	-71.05
CC(NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740379	0	54	0.0	-75.61	416.91	9.68	-65.93
CC(NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740380	0	54	0.0	-79.64	416.67	9.74	-69.90
CC(NC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1CC[NH+](C)CC1	REAL300012740381	0	55	0.0	-80.44	390.09	8.29	-72.15
CC(NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740382	0	57	0.0	-79.51	409.73	8.89	-70.62
CC(NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740383	0	57	0.0	-80.33	409.74	8.89	-71.44
CC(NC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740384	0	55	0.0	-61.46	391.64	9.42	-52.04
CC(NC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740385	0	55	0.0	-89.07	385.94	9.30	-79.77
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1)C1CC[NH+](C)CC1	REAL300012740386	0	55	0.0	-85.01	429.54	8.28	-76.73
COC1=CC=C(CC(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012740387	0	55	0.0	-81.86	417.33	7.99	-73.87
C=CCSCC(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740388	0	49	0.0	-76.14	393.24	7.76	-68.38
CC(NC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740389	0	52	0.0	-80.42	408.83	9.02	-71.40
CC(NC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740390	0	55	0.0	-94.47	427.46	8.69	-85.78
COC1(C(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])CCC1	REAL300012740391	0	52	0.0	-76.84	381.46	5.75	-71.09
CC(NC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C1CC[NH+](C)CC1	REAL300012740392	0	54	0.0	-80.75	390.79	8.63	-72.12
CC(NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C1CC[NH+](C)CC1	REAL300012740393	0	55	0.0	-84.67	397.12	9.75	-74.92
CC(NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1CC[NH+](C)CC1	REAL300012740394	0	48	0.0	-75.31	370.58	7.48	-67.83
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CC[NH+](C)CC1	REAL300012740396	0	60	0.0	-80.20	441.78	10.10	-70.10
CC(C)C1=CC=C(C(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012740397	0	57	0.0	-80.14	425.78	9.71	-70.43
CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740398	0	45	0.0	-79.58	343.03	7.49	-72.09
CC(NC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740399	0	47	0.0	-61.82	344.49	8.35	-53.47
CC(NC(=O)N1CCC(C)(C)C1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740400	0	51	0.0	-88.48	360.73	8.46	-80.02
CCOC1=CC=C(C(NC(=O)NC(C)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300012740401	0	55	0.0	-80.29	417.15	7.92	-72.37
CC(NC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740402	0	55	0.0	-91.03	384.87	10.20	-80.83
CC(NC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C1CC[NH+](C)CC1	REAL300012740403	0	55	0.0	-74.90	411.34	10.42	-64.48
CC(NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740404	0	55	0.0	-85.73	408.23	8.74	-76.99
CC(NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740405	0	51	0.0	-84.15	401.80	8.69	-75.46
CC(C)CCC(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740406	0	53	0.0	-79.36	396.07	7.95	-71.41
CC(NC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740407	0	52	0.0	-62.07	376.11	8.97	-53.10
CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740408	0	52	0.0	-78.71	390.16	6.02	-72.69
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC(C)C2CC[NH+](C)CC2)C1	REAL300012740409	0	49	0.0	-83.64	377.36	8.97	-74.67
CC(NC(=O)NC1(C(=O)[O-])CCCC2CC21)C1CC[NH+](C)CC1	REAL300012740410	0	52	0.0	-80.36	370.88	8.74	-71.62
CC(NC(=O)NC1(C(=O)[O-])CCC2CC21)C1CC[NH+](C)CC1	REAL300012740411	0	49	0.0	-80.10	358.00	7.83	-72.27
CC(NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1CC[NH+](C)CC1	REAL300012740412	0	52	0.0	-79.12	379.17	8.22	-70.90
CC(NC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740413	0	54	0.0	-78.50	398.60	10.60	-67.90
CC(NC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1CC[NH+](C)CC1	REAL300012740414	0	58	0.0	-61.07	404.33	9.98	-51.09
CC(NC(=O)NC(C(=O)[O-])C1CCCC1)C1CC[NH+](C)CC1	REAL300012740415	0	51	0.0	-81.04	378.94	7.61	-73.43
CO[C@H](C)[C@H](NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740416	0	48	0.0	-75.62	365.50	5.13	-70.49
CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300012740417	0	51	0.0	-59.65	392.43	10.71	-48.94
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)C1CC[NH+](C)CC1	REAL300012740418	0	58	0.0	-81.08	440.00	11.10	-69.98
CC(NC(=O)N1CC(C)(C)CC1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740419	0	51	0.0	-62.60	370.64	8.28	-54.32
CC(NC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740420	0	52	0.0	-85.65	387.72	10.69	-74.96
CC(NC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740421	0	48	0.0	-87.61	350.53	8.67	-78.94
CC(NC(=O)N1CCC(F)(F)C1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740422	0	45	0.0	-90.65	341.09	7.26	-83.39
CC(NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740423	0	51	0.0	-82.36	394.25	8.77	-73.59
CC(NC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740424	0	48	0.0	-79.46	378.97	7.57	-71.89
CC(NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740425	0	48	0.0	-79.21	357.59	8.19	-71.02
CC(NC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1CC[NH+](C)CC1	REAL300012740426	0	52	0.0	-83.69	398.69	8.62	-75.07
CC(NC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740427	0	56	0.0	-85.92	415.68	9.92	-76.00
CC(NC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740428	0	48	0.0	-79.46	378.97	7.57	-71.89
CC(NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740429	0	52	0.0	-90.09	367.95	8.87	-81.22
COCCCC(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740430	0	51	0.0	-77.82	390.43	5.79	-72.03
CCOCC(NC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300012740431	0	48	0.0	-81.01	369.22	5.10	-75.91
CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740432	0	53	0.0	-74.28	385.48	8.31	-65.97
CC(NC(=O)NC(C(=O)[O-])C1CCCCO1)C1CC[NH+](C)CC1	REAL300012740433	0	52	0.0	-81.83	384.24	6.05	-75.78
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1)C1CC[NH+](C)CC1	REAL300012740434	0	48	0.0	-78.62	392.98	8.57	-70.05
CC(NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1CC[NH+](C)CC1	REAL300012740435	0	52	0.0	-83.26	391.22	9.26	-74.00
CC(NC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740436	0	49	0.0	-84.37	356.28	7.05	-77.32
CC(NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740437	0	51	0.0	-78.67	371.43	8.49	-70.18
CC(NC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1CC[NH+](C)CC1	REAL300012740438	0	62	0.0	-79.39	428.05	10.00	-69.39
CC(NC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740439	0	54	0.0	-83.81	417.73	8.95	-74.86
CC(NC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1CC[NH+](C)CC1	REAL300012740440	0	48	0.0	-67.73	368.47	8.61	-59.12
CC(NC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740441	0	59	0.0	-90.13	400.43	9.33	-80.80
CC(NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1CC[NH+](C)CC1	REAL300012740442	0	50	0.0	-75.48	399.57	7.33	-68.15
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC(C)C2CC[NH+](C)CC2)C1	REAL300012740443	0	52	0.0	-82.98	383.28	7.54	-75.44
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCCC1	REAL300012740838	0	62	0.0	-57.43	436.35	8.86	-48.57
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3=C(O)C=CC=C32)CC1	REAL300012742425	0	55	0.0	-63.68	425.46	5.82	-57.86
CCCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=N1	REAL300012742811	0	58	0.0	-63.74	441.44	7.50	-56.24
CC[C@@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012743066	0	56	0.0	-58.72	417.27	8.42	-50.30
CC[C@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012743311	0	56	0.0	-62.52	422.54	8.64	-53.88
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CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=NN(C)C=C1	REAL300012744825	0	53	0.0	-68.90	413.58	6.01	-62.89
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=NC=C1	REAL300012745051	0	55	0.0	-62.25	417.55	6.88	-55.37
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CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCC1	REAL300012745541	0	56	0.0	-58.73	403.61	7.42	-51.31
C=CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=NC=C1	REAL300012745783	0	56	0.0	-62.14	432.52	7.59	-54.55
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CSC3=CC=CC=C32)CC1	REAL300012746070	0	52	0.0	-61.69	413.29	8.19	-53.50
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CC1=CN=C(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])O1	REAL300012747233	0	52	0.0	-65.96	408.72	3.86	-62.10
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=NC=CO1	REAL300012747416	0	49	0.0	-65.51	386.77	3.05	-62.46
CC1=CC([C@@H](C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1F	REAL300012747656	0	56	0.0	-62.87	435.41	8.95	-53.92
C[C@@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(F)C=C1F	REAL300012747953	0	53	0.0	-60.14	419.51	8.42	-51.72
C[C@@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1Cl	REAL300012748246	0	53	0.0	-63.06	421.37	8.70	-54.36
C[C@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(F)C=C1F	REAL300012748542	0	53	0.0	-61.01	419.54	8.42	-52.59
C[C@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1Cl	REAL300012748835	0	53	0.0	-62.56	421.90	8.73	-53.83
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC(=O)NC=C1	REAL300012749909	0	53	0.0	-66.61	414.08	5.07	-61.54
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC(C2CC2)C2CCC2)CC1	REAL300012750133	0	57	0.0	-62.22	426.66	9.37	-52.85
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3CCC2C3)CC1	REAL300012750316	0	54	0.0	-63.54	398.46	7.55	-55.99
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCCO1	REAL300012750513	0	57	0.0	-64.85	423.79	6.72	-58.13
C[C@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCC1	REAL300012750707	0	56	0.0	-62.33	415.14	8.02	-54.31
CC1CSCC1NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012750893	0	51	0.0	-60.86	395.80	6.83	-54.03
CC(C)C(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CC1	REAL300012751071	0	56	0.0	-62.21	417.82	8.26	-53.95
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3C=CC2O3)CC1	REAL300012751237	0	50	0.0	-61.01	376.33	4.56	-56.45
CCOC1CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C12CCCC2	REAL300012751495	0	64	0.0	-59.50	466.65	8.43	-51.07
CC1=CC=CC(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012751866	0	56	0.0	-63.13	430.09	8.91	-54.22
CC(C)C[C@H](NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753030	1	58	0.0	-78.45	430.90	7.92	-70.53
CC(C)C[C@H](NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753030	1	58	0.0	-77.98	432.71	8.35	-69.63
C=CCOCC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753031	1	57	0.0	-68.98	451.59	7.39	-61.59
C=CCOCC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753031	1	57	0.0	-81.18	439.72	6.39	-74.79
C=CC(C)C(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753032	1	56	0.0	-79.47	431.34	8.42	-71.05
C=CC(C)C(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753032	1	56	0.0	-77.80	424.64	7.75	-70.05
CC(NC(=O)N1CCC(C)CC1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753033	1	59	0.0	-84.66	436.15	11.35	-73.31
CC(NC(=O)N1CCC(C)CC1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753033	1	59	0.0	-83.08	427.27	10.37	-72.71
CCCN(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753034	1	55	0.0	-65.46	424.54	10.12	-55.34
CCCN(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753034	1	55	0.0	-61.33	412.53	9.16	-52.17
CC(NC(=O)N(C(C)C(=O)[O-])C1CCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753035	1	59	0.0	-62.32	425.66	9.57	-52.75
CC(NC(=O)N(C(C)C(=O)[O-])C1CCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753035	1	59	0.0	-69.78	435.19	9.97	-59.81
CCCN(C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(CC)C(=O)[O-]	REAL300012753036	1	61	0.0	-65.61	451.32	11.09	-54.52
CCCN(C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(CC)C(=O)[O-]	REAL300012753036	1	61	0.0	-75.53	451.66	11.29	-64.24
CC(C)C(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753037	1	55	0.0	-78.67	422.15	8.13	-70.54
CC(C)C(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753037	1	55	0.0	-67.31	416.64	7.95	-59.36
CC(NC(=O)N1CCCCC1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753038	1	56	0.0	-84.02	412.96	10.09	-73.93
CC(NC(=O)N1CCCCC1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753038	1	56	0.0	-83.59	414.72	10.77	-72.82
CC(NC(=O)N1CCSCC1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753039	1	54	0.0	-82.68	404.30	10.13	-72.55
CC(NC(=O)N1CCSCC1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753039	1	54	0.0	-81.03	402.58	9.48	-71.55
CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753040	1	59	0.0	-77.15	432.89	9.33	-67.82
CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753040	1	59	0.0	-71.81	424.36	9.24	-62.57
CC(NC(=O)N1CCCC1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753041	1	53	0.0	-80.36	403.05	8.63	-71.73
CC(NC(=O)N1CCCC1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753041	1	53	0.0	-76.25	395.84	8.53	-67.72
CC(NC(=O)NC1(C(=O)[O-])CCCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753042	1	56	0.0	-82.50	417.81	8.19	-74.31
CC(NC(=O)NC1(C(=O)[O-])CCCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753042	1	56	0.0	-81.87	408.07	7.73	-74.14
CC(NC(=O)NCC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753043	1	46	0.0	-63.12	362.49	5.72	-57.40
CC(NC(=O)NCC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753043	1	46	0.0	-63.82	352.24	5.19	-58.63
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753044	1	56	0.0	-75.19	428.97	8.75	-66.44
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753044	1	56	0.0	-79.30	429.03	8.75	-70.55
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753045	1	56	0.0	-77.98	441.24	9.63	-68.35
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753045	1	56	0.0	-77.79	440.52	9.72	-68.07
CCC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753046	1	52	0.0	-77.56	404.28	7.57	-69.99
CCC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753046	1	52	0.0	-78.58	393.10	6.60	-71.98
CC(C)C(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753047	1	55	0.0	-78.67	422.15	8.13	-70.54
CC(C)C(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753047	1	55	0.0	-67.31	416.64	7.95	-59.36
CC(NC(=O)N(C)CC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753048	1	49	0.0	-78.15	379.48	7.95	-70.20
CC(NC(=O)N(C)CC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753048	1	49	0.0	-74.16	379.57	7.95	-66.21
CC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753049	1	49	0.0	-65.65	383.28	6.53	-59.12
CC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753049	1	49	0.0	-62.29	383.09	6.51	-55.78
CCC(C)C(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753050	1	58	0.0	-79.29	433.30	8.15	-71.14
CCC(C)C(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753050	1	58	0.0	-79.46	423.75	7.57	-71.89
CC(NC(=O)N(C)CC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753051	1	49	0.0	-78.15	379.48	7.95	-70.20
CC(NC(=O)N(C)CC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753051	1	49	0.0	-74.16	379.57	7.95	-66.21
CC(NC(=O)N1CCCCC1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753052	1	56	0.0	-84.02	412.96	10.09	-73.93
CC(NC(=O)N1CCCCC1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753052	1	56	0.0	-83.59	414.72	10.77	-72.82
CCCC(C)(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753053	1	58	0.0	-67.64	430.75	8.68	-58.96
CCCC(C)(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753053	1	58	0.0	-78.18	430.24	8.70	-69.48
CC(C)N(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753054	1	55	0.0	-63.94	411.35	9.21	-54.73
CC(C)N(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753054	1	55	0.0	-46.56	412.82	9.63	-36.93
CC(NC(=O)N(CC(=O)[O-])C1CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753055	1	53	0.0	-78.53	397.01	9.25	-69.28
CC(NC(=O)N(CC(=O)[O-])C1CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753055	1	53	0.0	-78.73	395.89	8.80	-69.93
C=CCN(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753056	1	53	0.0	-62.95	414.10	9.49	-53.46
C=CCN(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753056	1	53	0.0	-65.22	405.61	9.40	-55.82
CC(C)CN(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753057	1	58	0.0	-66.50	430.81	9.73	-56.77
CC(C)CN(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753057	1	58	0.0	-64.04	439.65	10.42	-53.62
CC(NC(=O)NC(C)(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753058	1	52	0.0	-67.52	394.11	6.49	-61.03
CC(NC(=O)NC(C)(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753058	1	52	0.0	-62.93	385.61	6.41	-56.52
CC(NC(=O)NC(C)(C(=O)[O-])C1CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753059	1	56	0.0	-78.83	406.62	7.72	-71.11
CC(NC(=O)NC(C)(C(=O)[O-])C1CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753059	1	56	0.0	-79.13	417.02	8.24	-70.89
CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753060	1	59	0.0	-77.15	432.89	9.33	-67.82
CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753060	1	59	0.0	-71.81	424.36	9.24	-62.57
CC(C)N(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753061	1	55	0.0	-63.94	411.35	9.21	-54.73
CC(C)N(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753061	1	55	0.0	-46.56	412.82	9.63	-36.93
CCCN(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753062	1	55	0.0	-65.46	424.54	10.12	-55.34
CCCN(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753062	1	55	0.0	-61.33	412.53	9.16	-52.17
CCN(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753063	1	52	0.0	-67.54	403.04	9.36	-58.18
CCN(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753063	1	52	0.0	-78.49	402.54	9.39	-69.10
CC[C@H](C)[C@H](NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753064	1	58	0.0	-78.27	422.62	7.54	-70.73
CC[C@H](C)[C@H](NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753064	1	58	0.0	-74.63	424.34	7.55	-67.08
CC(NC(=O)NC1(C(=O)[O-])CCCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753065	1	56	0.0	-82.50	417.81	8.19	-74.31
CC(NC(=O)NC1(C(=O)[O-])CCCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753065	1	56	0.0	-81.87	408.07	7.73	-74.14
CCC(C)(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753066	1	55	0.0	-67.45	409.25	7.92	-59.53
CCC(C)(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753066	1	55	0.0	-77.85	408.76	7.94	-69.91
CC(NC(=O)N[C@@H](C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753067	1	49	0.0	-67.95	381.36	6.12	-61.83
CC(NC(=O)N[C@@H](C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753067	1	49	0.0	-61.76	382.78	6.55	-55.21
CCN(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753068	1	52	0.0	-67.54	403.04	9.36	-58.18
CCN(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753068	1	52	0.0	-78.49	402.54	9.39	-69.10
CC(NC(=O)N[C@H](C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753069	1	49	0.0	-67.17	371.21	5.57	-61.60
CC(NC(=O)N[C@H](C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753069	1	49	0.0	-63.26	373.32	5.97	-57.29
CC(NC(=O)NC1(C(=O)[O-])CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753070	1	50	0.0	-75.20	389.45	7.75	-67.45
CC(NC(=O)NC1(C(=O)[O-])CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753070	1	50	0.0	-82.31	388.94	7.75	-74.56
CC(NC(=O)N1CCOCC1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753071	1	54	0.0	-80.92	395.32	7.54	-73.38
CC(NC(=O)N1CCOCC1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753071	1	54	0.0	-81.57	394.21	7.09	-74.48
CC(NC(=O)NC(C(=O)[O-])C1CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753072	1	53	0.0	-79.11	402.77	7.13	-71.98
CC(NC(=O)NC(C(=O)[O-])C1CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753072	1	53	0.0	-79.91	399.49	7.09	-72.82
COCCN(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753073	1	56	0.0	-65.67	434.42	8.54	-57.13
COCCN(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753073	1	56	0.0	-62.45	422.41	7.59	-54.86
CC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753074	1	53	0.0	-75.45	406.09	9.06	-66.39
CC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753074	1	53	0.0	-86.26	405.54	9.07	-77.19
CC(NC(=O)N1CCCC[C@@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753075	1	56	0.0	-84.78	413.21	10.18	-74.60
CC(NC(=O)N1CCCC[C@@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753075	1	56	0.0	-83.39	414.10	10.45	-72.94
CC(NC(=O)N(C)[C@H](C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753076	1	52	0.0	-64.87	396.14	8.63	-56.24
CC(NC(=O)N(C)[C@H](C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753076	1	52	0.0	-74.01	383.62	7.55	-66.46
CC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753077	1	53	0.0	-85.21	404.76	9.09	-76.12
CC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753077	1	53	0.0	-84.85	394.55	8.54	-76.31
CC(NC(=O)NC1(C(=O)[O-])CCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753078	1	53	0.0	-73.25	406.23	8.25	-65.00
CC(NC(=O)NC1(C(=O)[O-])CCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753078	1	53	0.0	-78.41	404.57	7.81	-70.60
C=CCC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753079	1	53	0.0	-74.52	416.68	7.56	-66.96
C=CCC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753079	1	53	0.0	-78.32	406.38	7.05	-71.27
CC(NC(=O)N1CCCC1(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753080	1	56	0.0	-84.09	408.91	9.03	-75.06
CC(NC(=O)N1CCCC1(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753080	1	56	0.0	-78.40	408.96	9.04	-69.36
CC(NC(=O)N1CCCCCC1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753081	1	59	0.0	-82.93	419.31	10.49	-72.44
CC(NC(=O)N1CCCCCC1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753081	1	59	0.0	-83.81	417.33	10.44	-73.37
CC(NC(=O)NC(C(=O)[O-])C1CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753082	1	53	0.0	-79.11	402.77	7.13	-71.98
CC(NC(=O)NC(C(=O)[O-])C1CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753082	1	53	0.0	-79.91	399.49	7.09	-72.82
CC(NC(=O)N(C)C(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753083	1	52	0.0	-64.89	396.14	8.63	-56.26
CC(NC(=O)N(C)C(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753083	1	52	0.0	-74.05	383.59	7.55	-66.50
CCCCC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753084	1	58	0.0	-67.23	447.87	9.16	-58.07
CCCCC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753084	1	58	0.0	-67.95	447.61	9.12	-58.83
CC(NC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753085	1	56	0.0	-85.22	421.02	9.99	-75.23
CC(NC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753085	1	56	0.0	-84.38	419.36	9.57	-74.81
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753086	1	59	0.0	-48.83	428.47	10.42	-38.41
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753086	1	59	0.0	-65.01	429.14	10.40	-54.61
COCC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753087	1	53	0.0	-80.45	415.09	5.40	-75.05
COCC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753087	1	53	0.0	-80.08	404.83	4.88	-75.20
CCCCCC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753088	1	61	0.0	-74.67	467.86	9.45	-65.22
CCCCCC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753088	1	61	0.0	-66.94	468.29	9.93	-57.01
CC(NC(=O)N(C)C1(C(=O)[O-])CCCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753089	1	59	0.0	-74.59	432.42	10.67	-63.92
CC(NC(=O)N(C)C1(C(=O)[O-])CCCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753089	1	59	0.0	-78.52	418.58	9.37	-69.15
CC(NC(=O)N(C(C)C(=O)[O-])C1CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753090	1	56	0.0	-67.18	421.49	9.94	-57.24
CC(NC(=O)N(C(C)C(=O)[O-])C1CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753090	1	56	0.0	-65.86	403.82	9.17	-56.69
CCC(C(=O)[O-])N(C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300012753091	1	59	0.0	-65.81	440.13	10.58	-55.23
CCC(C(=O)[O-])N(C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300012753091	1	59	0.0	-77.07	420.77	9.64	-67.43
COCC(C)(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753092	1	56	0.0	-71.90	427.49	7.21	-64.69
COCC(C)(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753092	1	56	0.0	-82.40	427.00	7.21	-75.19
CCOCC(C(=O)[O-])N(C)C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753093	1	59	0.0	-76.45	445.74	8.43	-68.02
CCOCC(C(=O)[O-])N(C)C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753093	1	59	0.0	-75.19	436.44	8.41	-66.78
CC(C)CN(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753094	1	58	0.0	-66.50	430.81	9.73	-56.77
CC(C)CN(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753094	1	58	0.0	-64.04	439.65	10.42	-53.62
CC(NC(=O)N(CC(=O)[O-])C1CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753095	1	53	0.0	-78.53	397.01	9.25	-69.28
CC(NC(=O)N(CC(=O)[O-])C1CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753095	1	53	0.0	-78.73	395.89	8.80	-69.93
CC(NC(=O)NC1(C(=O)[O-])CCOC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753096	1	54	0.0	-68.30	410.80	6.05	-62.25
CC(NC(=O)NC1(C(=O)[O-])CCOC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753096	1	54	0.0	-73.90	409.04	5.64	-68.26
CC(NC(=O)NC1(C(=O)[O-])CCOCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753097	1	57	0.0	-81.86	415.16	6.76	-75.10
CC(NC(=O)NC1(C(=O)[O-])CCOCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753097	1	57	0.0	-81.13	414.04	6.31	-74.82
C=CCCC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753098	1	56	0.0	-74.53	437.67	8.44	-66.09
C=CCCC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753098	1	56	0.0	-66.77	438.10	8.93	-57.84
CC(NC(=O)NC(CF)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753099	1	49	0.0	-67.01	385.47	6.09	-60.92
CC(NC(=O)NC(CF)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753099	1	49	0.0	-66.27	375.21	5.57	-60.70
CC(NC(=O)N(C)C(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753100	1	52	0.0	-64.89	396.14	8.63	-56.26
CC(NC(=O)N(C)C(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753100	1	52	0.0	-74.05	383.59	7.55	-66.50
CCC(CC)(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753101	1	58	0.0	-74.59	424.18	8.38	-66.21
CCC(CC)(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753101	1	58	0.0	-69.02	415.39	8.29	-60.73
CCC(C)N(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753102	1	58	0.0	-64.86	433.79	10.70	-54.16
CCC(C)N(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753102	1	58	0.0	-63.63	436.39	10.78	-52.85
CCC(COC)(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753103	1	59	0.0	-79.05	442.42	7.66	-71.39
CCC(COC)(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753103	1	59	0.0	-84.51	443.43	8.14	-76.37
CC(NC(=O)NC(CC1CC1)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753104	1	56	0.0	-73.85	434.16	8.70	-65.15
CC(NC(=O)NC(CC1CC1)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753104	1	56	0.0	-67.78	436.22	9.12	-58.66
COCCC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753105	1	56	0.0	-74.83	437.04	6.17	-68.66
COCCC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753105	1	56	0.0	-68.01	438.28	6.64	-61.37
CC(C)CC(C(=O)[O-])N(C)C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753106	1	61	0.0	-74.48	454.46	11.04	-63.44
CC(C)CC(C(=O)[O-])N(C)C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753106	1	61	0.0	-75.67	443.14	10.36	-65.31
CC(NC(=O)NC(CC(F)F)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753107	1	52	0.0	-67.35	417.22	7.90	-59.45
CC(NC(=O)NC(CC(F)F)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753107	1	52	0.0	-67.99	416.96	7.86	-60.13
CCCN(C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300012753108	1	58	0.0	-68.08	437.49	10.82	-57.26
CCCN(C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300012753108	1	58	0.0	-58.38	430.44	10.83	-47.55
CC(NC(=O)NC(CCF)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753109	1	52	0.0	-66.67	411.70	7.69	-58.98
CC(NC(=O)NC(CCF)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753109	1	52	0.0	-66.72	411.20	7.72	-59.00
CC(NC(=O)NC(C)(CCF)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753110	1	55	0.0	-64.57	415.84	8.06	-56.51
CC(NC(=O)NC(C)(CCF)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753110	1	55	0.0	-75.03	415.35	8.08	-66.95
CC(NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753111	1	53	0.0	-74.46	407.01	8.26	-66.20
CC(NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753111	1	53	0.0	-77.65	405.66	8.30	-69.35
CC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753112	1	52	0.0	-74.85	383.13	7.66	-67.19
CC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753112	1	52	0.0	-65.05	395.13	8.53	-56.52
CC(NC(=O)N1CC2CC1(C(=O)[O-])C2)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753113	1	54	0.0	-86.36	410.00	9.65	-76.71
CC(NC(=O)N1CC2CC1(C(=O)[O-])C2)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753113	1	54	0.0	-85.72	401.07	9.55	-76.17
CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753114	1	58	0.0	-79.76	423.83	7.70	-72.06
CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753114	1	58	0.0	-78.09	424.03	8.16	-69.93
C=C(Cl)CC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753115	1	53	0.0	-74.43	431.80	8.20	-66.23
C=C(Cl)CC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753115	1	53	0.0	-74.75	421.58	7.72	-67.03
C=C(C)CC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753116	1	56	0.0	-79.37	434.93	8.41	-70.96
C=C(C)CC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753116	1	56	0.0	-79.17	426.25	7.90	-71.27
CC(NC(=O)N1C2CCC1(C(=O)[O-])CC2)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753117	1	57	0.0	-86.73	423.69	10.90	-75.83
CC(NC(=O)N1C2CCC1(C(=O)[O-])CC2)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753117	1	57	0.0	-85.49	412.02	9.95	-75.54
CC(NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753118	1	53	0.0	-69.98	406.87	8.72	-61.26
CC(NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753118	1	53	0.0	-77.99	415.97	8.78	-69.21
CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753119	1	53	0.0	-78.01	409.53	8.70	-69.31
CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753119	1	53	0.0	-82.83	409.59	8.71	-74.12
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC(C)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300012753120	1	54	0.0	-80.32	416.33	9.10	-71.22
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC(C)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300012753120	1	54	0.0	-74.51	417.58	9.54	-64.97
CC(C)C[C@H](NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753121	1	58	0.0	-78.45	430.90	7.92	-70.53
CC(C)C[C@H](NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753121	1	58	0.0	-77.98	432.71	8.35	-69.63
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753122	1	56	0.0	-77.98	441.24	9.63	-68.35
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753122	1	56	0.0	-77.79	440.52	9.72	-68.07
CC(NC(=O)NC(CC1CC1)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753123	1	56	0.0	-73.85	434.16	8.70	-65.15
CC(NC(=O)NC(CC1CC1)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753123	1	56	0.0	-67.78	436.22	9.12	-58.66
CSCC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753124	1	53	0.0	-75.86	426.82	7.53	-68.33
CSCC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753124	1	53	0.0	-75.86	416.80	6.94	-68.92
COC[C@H](NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753125	1	53	0.0	-80.22	404.89	4.83	-75.39
COC[C@H](NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753125	1	53	0.0	-79.09	406.22	5.26	-73.83
CC[C@H](NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753126	1	52	0.0	-78.00	392.20	6.61	-71.39
CC[C@H](NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753126	1	52	0.0	-66.98	403.79	7.59	-59.39
CCC(C)CC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753127	1	61	0.0	-67.68	461.93	9.57	-58.11
CCC(C)CC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753127	1	61	0.0	-78.64	461.30	9.59	-69.05
C=CCCCC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753128	1	59	0.0	-73.87	458.93	9.29	-64.58
C=CCCCC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753128	1	59	0.0	-67.57	460.42	9.68	-57.89
CC(NC(=O)N1CCSCC1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753129	1	54	0.0	-82.68	404.30	10.13	-72.55
CC(NC(=O)N1CCSCC1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753129	1	54	0.0	-81.03	402.58	9.48	-71.55
CC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753130	1	53	0.0	-75.45	406.09	9.06	-66.39
CC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753130	1	53	0.0	-86.26	405.54	9.07	-77.19
CCCC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753131	1	55	0.0	-67.93	426.61	8.31	-59.62
CCCC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753131	1	55	0.0	-68.02	426.11	8.34	-59.68
CC(C)[C@@H](NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753132	1	55	0.0	-74.03	405.14	6.92	-67.11
CC(C)[C@@H](NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753132	1	55	0.0	-77.94	408.23	7.20	-70.74
CC(NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753133	1	57	0.0	-86.46	423.06	10.57	-75.89
CC(NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753133	1	57	0.0	-87.98	424.22	10.59	-77.39
CCN(C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(C)(C)C(=O)[O-]	REAL300012753134	1	58	0.0	-76.64	428.04	9.88	-66.76
CCN(C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(C)(C)C(=O)[O-]	REAL300012753134	1	58	0.0	-71.51	419.54	9.77	-61.74
CCCN(C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300012753135	1	58	0.0	-68.08	437.49	10.82	-57.26
CCCN(C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300012753135	1	58	0.0	-58.38	430.44	10.83	-47.55
CC(NC(=O)N(C)C(C)(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753136	1	55	0.0	-70.89	410.34	9.42	-61.47
CC(NC(=O)N(C)C(C)(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753136	1	55	0.0	-76.11	398.25	8.48	-67.63
CC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753137	1	53	0.0	-85.21	404.76	9.09	-76.12
CC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753137	1	53	0.0	-84.85	394.55	8.54	-76.31
CC(NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753138	1	54	0.0	-75.87	415.88	5.77	-70.10
CC(NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753138	1	54	0.0	-88.51	415.25	5.79	-82.72
CCC[C@@H](NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753139	1	55	0.0	-73.21	414.30	7.42	-65.79
CCC[C@@H](NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753139	1	55	0.0	-68.87	416.33	7.80	-61.07
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753140	1	56	0.0	-75.19	428.97	8.75	-66.44
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753140	1	56	0.0	-79.30	429.03	8.75	-70.55
C=CCCC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753141	1	56	0.0	-74.53	437.67	8.44	-66.09
C=CCCC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753141	1	56	0.0	-66.77	438.10	8.93	-57.84
CC(NC(=O)N1CCC[C@]1(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753142	1	56	0.0	-73.33	420.98	10.01	-63.32
CC(NC(=O)N1CCC[C@]1(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753142	1	56	0.0	-84.20	408.98	9.03	-75.17
CC(C)[C@H](NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753143	1	55	0.0	-78.38	417.80	7.87	-70.51
CC(C)[C@H](NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753143	1	55	0.0	-76.72	409.02	7.58	-69.14
CC(NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753144	1	56	0.0	-79.67	429.17	8.66	-71.01
CC(NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753144	1	56	0.0	-75.76	429.21	8.67	-67.09
CC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753145	1	52	0.0	-74.85	383.13	7.66	-67.19
CC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753145	1	52	0.0	-65.05	395.13	8.53	-56.52
CCC[C@H](NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753146	1	55	0.0	-78.53	414.54	7.35	-71.18
CCC[C@H](NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753146	1	55	0.0	-77.46	415.51	7.81	-69.65
CCN(C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300012753147	1	55	0.0	-65.08	412.82	9.39	-55.69
CCN(C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300012753147	1	55	0.0	-76.41	412.41	9.04	-67.37
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753148	1	59	0.0	-48.83	428.47	10.42	-38.41
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753148	1	59	0.0	-65.01	429.14	10.40	-54.61
CC(CN(C)C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753149	1	55	0.0	-74.78	415.46	9.03	-65.75
CC(CN(C)C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753149	1	55	0.0	-79.01	404.56	8.32	-70.69
CC[C@H](C)[C@H](NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753150	1	58	0.0	-78.27	422.62	7.54	-70.73
CC[C@H](C)[C@H](NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753150	1	58	0.0	-74.63	424.34	7.55	-67.08
CC[C@@H](C(=O)[O-])N(C)C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753151	1	55	0.0	-74.96	415.49	9.70	-65.26
CC[C@@H](C(=O)[O-])N(C)C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753151	1	55	0.0	-65.27	415.57	9.60	-55.67
CC(NC(=O)NC1(C(=O)[O-])CC(CO)C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753152	1	57	0.0	-78.02	436.82	5.43	-72.59
CC(NC(=O)NC1(C(=O)[O-])CC(CO)C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753152	1	57	0.0	-78.51	426.56	4.90	-73.61
CC(NC(=O)NC1(C(=O)[O-])CCC(C)C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753153	1	59	0.0	-82.65	440.44	9.23	-73.42
CC(NC(=O)NC1(C(=O)[O-])CCC(C)C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753153	1	59	0.0	-76.09	428.41	8.27	-67.82
COCCC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753154	1	56	0.0	-74.83	437.04	6.17	-68.66
COCCC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753154	1	56	0.0	-68.01	438.28	6.64	-61.37
CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753155	1	59	0.0	-73.85	442.71	9.96	-63.89
CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753155	1	59	0.0	-82.83	430.67	9.00	-73.83
CC(NC(=O)NC(C(=O)[O-])C1(C)CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753156	1	56	0.0	-79.39	421.76	7.72	-71.67
CC(NC(=O)NC(C(=O)[O-])C1(C)CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753156	1	56	0.0	-69.85	416.32	8.37	-61.48
CC(NC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753157	1	54	0.0	-90.67	412.83	5.51	-85.16
CC(NC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753157	1	54	0.0	-80.46	404.22	5.43	-75.03
CC(NC(=O)NC(C(=O)[O-])C1CCOC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753158	1	57	0.0	-72.83	420.27	5.53	-67.30
CC(NC(=O)NC(C(=O)[O-])C1CCOC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753158	1	57	0.0	-77.12	431.78	6.58	-70.54
CC(NC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753159	1	57	0.0	-89.12	426.07	10.60	-78.52
CC(NC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753159	1	57	0.0	-79.50	425.49	10.60	-68.90
CC(NC(=O)N1CC2CC1(C(=O)[O-])CO2)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753160	1	55	0.0	-82.28	416.36	7.95	-74.33
CC(NC(=O)N1CC2CC1(C(=O)[O-])CO2)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753160	1	55	0.0	-81.44	409.24	7.65	-73.79
CC(NC(=O)N1CC(C)CCC1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753161	1	59	0.0	-84.47	423.98	10.34	-74.13
CC(NC(=O)N1CC(C)CCC1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753161	1	59	0.0	-83.38	429.14	10.84	-72.54
CC(NC(=O)NC(C(=O)[O-])C1CCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753162	1	56	0.0	-75.84	430.27	8.16	-67.68
CC(NC(=O)NC(C(=O)[O-])C1CCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753162	1	56	0.0	-74.96	423.11	8.08	-66.88
CC(NC(=O)NC(C(=O)[O-])C1CCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753163	1	56	0.0	-75.84	430.27	8.16	-67.68
CC(NC(=O)NC(C(=O)[O-])C1CCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753163	1	56	0.0	-74.96	423.11	8.08	-66.88
CC(NC(=O)N1CCC(C)C1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753164	1	56	0.0	-81.35	414.55	8.67	-72.68
CC(NC(=O)N1CCC(C)C1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753164	1	56	0.0	-75.08	423.99	10.04	-65.04
C=CCC(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753165	1	53	0.0	-74.52	416.68	7.56	-66.96
C=CCC(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753165	1	53	0.0	-78.32	406.38	7.05	-71.27
CC(NC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753166	1	57	0.0	-67.32	425.49	10.01	-57.31
CC(NC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753166	1	57	0.0	-61.10	424.97	10.05	-51.05
COC1CC(NC(=O)NC(C)C2C[N@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300012753167	1	57	0.0	-75.59	439.73	7.23	-68.36
COC1CC(NC(=O)NC(C)C2C[N@@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300012753167	1	57	0.0	-84.46	427.71	6.26	-78.20
CC(NC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753168	1	53	0.0	-66.53	418.58	8.55	-57.98
CC(NC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753168	1	53	0.0	-72.38	404.41	7.76	-64.62
CO[C@H]1C[C@](NC(=O)NC(C)C2C[N@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300012753169	1	57	0.0	-78.38	436.13	6.69	-71.69
CO[C@H]1C[C@](NC(=O)NC(C)C2C[N@@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300012753169	1	57	0.0	-75.76	426.28	6.55	-69.21
CCC1(C(=O)[O-])CCCN1C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753170	1	59	0.0	-81.72	432.42	10.81	-70.91
CCC1(C(=O)[O-])CCCN1C(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753170	1	59	0.0	-81.77	432.54	10.82	-70.95
CC(NC(=O)NC1(C(=O)[O-])COC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012753171	1	51	0.0	-72.04	384.97	4.33	-67.71
CC(NC(=O)NC1(C(=O)[O-])COC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012753171	1	51	0.0	-75.50	396.20	5.33	-70.17
CC(C)C(C)(NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753172	1	58	0.0	-67.99	424.17	8.55	-59.44
CC(C)C(C)(NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012753172	1	58	0.0	-68.17	423.68	8.56	-59.61
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C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012757922	1	51	0.0	-79.76	400.39	8.62	-71.14
CC1=CC(C)=CC(C(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012757923	1	52	0.0	-80.63	407.99	9.55	-71.08
CC1=CC(C)=CC(C(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012757923	1	52	0.0	-85.92	407.53	10.01	-75.91
CC1=CC=C(C(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(=O)[O-])C=C1C	REAL300012757924	1	52	0.0	-87.82	403.29	9.52	-78.30
CC1=CC=C(C(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C(=O)[O-])C=C1C	REAL300012757924	1	52	0.0	-85.45	402.86	9.98	-75.47
CC1=CC=CC(C(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(=O)[O-])=C1C	REAL300012757925	1	52	0.0	-85.20	395.45	9.74	-75.46
CC1=CC=CC(C(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C(=O)[O-])=C1C	REAL300012757925	1	52	0.0	-80.93	394.69	9.71	-71.22
COC1=CC=C(C(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C(=O)[O-])C=C1F	REAL300012757926	1	50	0.0	-76.39	400.71	7.69	-68.70
COC1=CC=C(C(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(=O)[O-])C=C1F	REAL300012757926	1	50	0.0	-86.92	400.65	7.69	-79.23
CCCN(CC(=O)[O-])C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012757927	1	45	0.0	-58.25	348.04	9.20	-49.05
CCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012757927	1	45	0.0	-61.19	348.03	9.19	-52.00
CC(C(=O)[O-])N(C(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C1CCC1	REAL300012757928	1	49	0.0	-84.34	359.66	9.90	-74.44
CC(C(=O)[O-])N(C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C1CCC1	REAL300012757928	1	49	0.0	-58.62	356.49	9.90	-48.72
CCCN(C(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(COC)C(=O)[O-]	REAL300012757929	1	52	0.0	-81.48	386.48	8.85	-72.63
CCCN(C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(COC)C(=O)[O-]	REAL300012757929	1	52	0.0	-86.85	388.16	9.48	-77.37
CCCN(C(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(CC)C(=O)[O-]	REAL300012757930	1	51	0.0	-48.69	371.56	10.83	-37.86
CCCN(C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(CC)C(=O)[O-]	REAL300012757930	1	51	0.0	-85.52	373.59	10.13	-75.39
CC(C)C(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012757931	1	45	0.0	-78.56	343.66	7.23	-71.33
CC(C)C(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012757931	1	45	0.0	-83.38	339.73	6.94	-76.44
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012757932	1	46	0.0	-90.45	339.07	9.23	-81.22
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012757932	1	46	0.0	-91.98	338.70	9.12	-82.86
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012757933	1	46	0.0	-75.53	381.59	8.83	-66.70
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012757933	1	46	0.0	-82.73	381.31	8.78	-73.95
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012757934	1	44	0.0	-93.52	338.41	9.55	-83.97
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012757934	1	44	0.0	-95.44	339.07	9.56	-85.88
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012757935	1	49	0.0	-88.26	356.32	8.22	-80.04
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012757935	1	49	0.0	-89.16	358.01	8.73	-80.43
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCCC2C(=O)[O-])C1	REAL300012757936	1	43	0.0	-84.40	328.64	7.68	-76.72
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCCC2C(=O)[O-])C1	REAL300012757936	1	43	0.0	-94.48	330.06	7.65	-86.83
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012757937	1	46	0.0	-83.60	343.61	7.64	-75.96
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012757937	1	46	0.0	-89.16	343.53	7.67	-81.49
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012757938	1	52	0.0	-84.35	363.78	9.41	-74.94
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012757938	1	52	0.0	-90.26	363.66	9.38	-80.88
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012757939	1	49	0.0	-87.70	387.18	9.25	-78.45
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012757939	1	49	0.0	-78.91	387.24	9.24	-69.67
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012757940	1	49	0.0	-60.50	385.54	11.44	-49.06
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012757940	1	49	0.0	-60.48	385.41	11.44	-49.04
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012757941	1	46	0.0	-86.92	364.88	8.31	-78.61
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012757941	1	46	0.0	-84.61	364.44	8.77	-75.84
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012757942	1	46	0.0	-79.80	365.11	8.23	-71.57
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012757942	1	46	0.0	-79.19	364.98	8.31	-70.88
CC(C)C(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012757943	1	45	0.0	-78.56	343.66	7.23	-71.33
CC(C)C(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012757943	1	45	0.0	-83.38	339.73	6.94	-76.44
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012757944	1	49	0.0	-87.70	387.18	9.25	-78.45
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012757944	1	49	0.0	-78.91	387.24	9.24	-69.67
CCC(C)C(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012757945	1	48	0.0	-78.17	360.76	7.78	-70.39
CCC(C)C(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012757945	1	48	0.0	-86.74	358.93	7.20	-79.54
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012757946	1	46	0.0	-90.45	339.07	9.23	-81.22
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012757946	1	46	0.0	-91.98	338.70	9.12	-82.86
CCCC(C)(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012757947	1	48	0.0	-76.89	354.68	7.21	-69.68
CCCC(C)(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012757947	1	48	0.0	-76.87	354.67	7.21	-69.66
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012757948	1	45	0.0	-85.11	336.59	8.68	-76.43
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012757948	1	45	0.0	-62.52	337.43	8.20	-54.32
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012757949	1	43	0.0	-59.60	330.45	8.84	-50.76
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])C2CC2)C1	REAL300012757949	1	43	0.0	-59.54	330.20	8.95	-50.59
C=CCN(CC(=O)[O-])C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012757950	1	43	0.0	-69.82	339.71	8.53	-61.29
C=CCN(CC(=O)[O-])C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012757950	1	43	0.0	-61.08	339.27	8.99	-52.09
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012757951	1	48	0.0	-61.05	362.62	9.71	-51.34
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012757951	1	48	0.0	-60.29	362.45	9.49	-50.80
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012757952	1	50	0.0	-93.47	377.12	11.38	-82.09
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012757952	1	50	0.0	-90.65	376.58	11.18	-79.47
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012757953	1	46	0.0	-77.55	342.62	7.21	-70.34
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012757953	1	46	0.0	-80.30	342.11	7.66	-72.64
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012757954	1	43	0.0	-85.09	356.53	7.39	-77.70
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012757954	1	43	0.0	-77.31	356.57	7.40	-69.91
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012757955	1	49	0.0	-88.26	356.32	8.22	-80.04
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012757955	1	49	0.0	-89.16	358.01	8.73	-80.43
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012757956	1	49	0.0	-57.67	396.59	11.23	-46.44
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012757956	1	49	0.0	-66.84	402.70	11.50	-55.34
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012757957	1	45	0.0	-85.11	336.59	8.68	-76.43
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012757957	1	45	0.0	-62.52	337.43	8.20	-54.32
CCCN(CC(=O)[O-])C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012757958	1	45	0.0	-58.25	348.04	9.20	-49.05
CCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012757958	1	45	0.0	-61.19	348.03	9.19	-52.00
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012757959	1	53	0.0	-79.85	415.62	9.28	-70.57
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012757959	1	53	0.0	-83.00	416.05	9.71	-73.29
CC[C@H](C)[C@H](NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012757960	1	48	0.0	-80.37	359.78	7.58	-72.79
CC[C@H](C)[C@H](NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012757960	1	48	0.0	-77.91	359.49	7.16	-70.75
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012757961	1	46	0.0	-83.60	343.61	7.64	-75.96
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012757961	1	46	0.0	-89.16	343.53	7.67	-81.49
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012757962	1	49	0.0	-58.22	386.26	10.77	-47.45
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012757962	1	49	0.0	-67.01	392.38	11.04	-55.97
CCC(C)(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012757963	1	45	0.0	-76.58	333.18	6.45	-70.13
CCC(C)(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012757963	1	45	0.0	-76.61	333.18	6.45	-70.16
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012757964	1	50	0.0	-83.54	384.21	9.85	-73.69
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012757964	1	50	0.0	-82.74	382.72	9.78	-72.96
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012757965	1	46	0.0	-86.43	375.82	8.45	-77.98
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012757965	1	46	0.0	-81.42	375.52	8.85	-72.57
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012757966	1	49	0.0	-85.95	370.93	8.86	-77.09
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012757966	1	49	0.0	-85.88	370.91	8.87	-77.01
CCCCCCC(C)(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012757967	1	57	0.0	-84.32	416.92	9.47	-74.85
CCCCCCC(C)(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012757967	1	57	0.0	-77.03	419.17	9.54	-67.49
CN(C(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012757968	1	52	0.0	-77.71	395.96	11.67	-66.04
CN(C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012757968	1	52	0.0	-75.68	395.70	11.21	-64.47
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012757969	1	46	0.0	-75.53	381.59	8.83	-66.70
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012757969	1	46	0.0	-82.73	381.31	8.78	-73.95
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012757970	1	44	0.0	-91.28	328.96	6.99	-84.29
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012757970	1	44	0.0	-90.98	329.08	6.95	-84.03
CN(C(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C1(C(=O)[O-])CCCCC1	REAL300012757971	1	52	0.0	-91.36	367.32	10.13	-81.23
CN(C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C1(C(=O)[O-])CCCCC1	REAL300012757971	1	52	0.0	-91.30	367.08	9.65	-81.65
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C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012757972	1	43	0.0	-78.45	335.43	7.11	-71.34
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C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012757982	1	46	0.0	-82.81	344.85	8.55	-74.26
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012757982	1	46	0.0	-91.97	344.45	9.00	-82.97
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012757983	1	53	0.0	-94.31	421.06	9.19	-85.12
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012757983	1	53	0.0	-93.38	420.61	9.64	-83.74
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012757984	1	49	0.0	-87.62	352.21	9.60	-78.02
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012757984	1	49	0.0	-91.49	352.50	9.94	-81.55
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C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CC2)C1	REAL300012757985	1	43	0.0	-78.45	335.43	7.11	-71.34
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C[N@H+]1CC2=CC=CC=C2C(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012757987	1	52	0.0	-69.91	403.07	11.55	-58.36
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012757987	1	52	0.0	-62.10	407.88	12.21	-49.89
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012757988	1	46	0.0	-91.98	344.47	9.01	-82.97
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012757988	1	46	0.0	-91.52	343.89	8.49	-83.03
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012757989	1	49	0.0	-59.77	362.71	9.52	-50.25
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C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012758001	1	55	0.0	-86.96	409.13	9.44	-77.52
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CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012758002	1	52	0.0	-58.69	393.10	11.51	-47.18
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C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012758004	1	42	0.0	-73.29	344.97	6.85	-66.44
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C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012758006	1	47	0.0	-79.31	355.81	8.43	-70.88
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012758006	1	47	0.0	-79.26	355.70	8.40	-70.86
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C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012758019	1	52	0.0	-91.59	396.15	12.19	-79.40
CCC(CC)(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758020	1	48	0.0	-85.63	349.09	7.79	-77.84
CCC(CC)(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758020	1	48	0.0	-85.62	349.35	7.79	-77.83
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COC1=CC=C(C(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300012758021	1	50	0.0	-86.53	394.43	7.63	-78.90
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CCC(COC)(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758023	1	49	0.0	-81.96	367.87	6.65	-75.31
CCC(COC)(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758023	1	49	0.0	-89.97	365.54	6.57	-83.40
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012758024	1	52	0.0	-79.16	391.20	8.67	-70.49
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012758024	1	52	0.0	-79.19	391.04	8.76	-70.43
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012758025	1	49	0.0	-88.93	372.85	4.22	-84.71
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012758025	1	49	0.0	-90.31	374.58	4.75	-85.56
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012758026	1	46	0.0	-78.96	360.49	8.12	-70.84
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012758026	1	46	0.0	-83.94	360.51	8.12	-75.82
COCCC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758027	1	46	0.0	-86.01	361.89	5.23	-80.78
COCCC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758027	1	46	0.0	-86.85	362.71	5.23	-81.62
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012758028	1	51	0.0	-79.64	376.82	9.95	-69.69
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012758028	1	51	0.0	-80.49	377.82	10.20	-70.29
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012758029	1	42	0.0	-85.96	341.32	6.46	-79.50
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012758029	1	42	0.0	-80.39	338.83	6.70	-73.69
CCCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012758030	1	52	0.0	-89.72	378.98	10.96	-78.76
CCCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012758030	1	52	0.0	-82.53	382.11	10.80	-71.73
CCCN(C(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(C)C(=O)[O-]	REAL300012758031	1	48	0.0	-63.63	357.89	9.14	-54.49
CCCN(C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(C)C(=O)[O-]	REAL300012758031	1	48	0.0	-76.04	357.31	9.15	-66.89
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012758032	1	52	0.0	-46.92	396.33	12.42	-34.50
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012758032	1	52	0.0	-47.64	395.92	12.52	-35.12
CCC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300012758033	1	52	0.0	-79.46	389.98	9.83	-69.63
CCC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300012758033	1	52	0.0	-79.36	389.83	9.80	-69.56
COC1CCCC(C(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012758034	1	56	0.0	-90.79	414.73	7.83	-82.96
COC1CCCC(C(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012758034	1	56	0.0	-83.31	415.73	7.36	-75.95
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CCF)C(=O)[O-])C1	REAL300012758035	1	42	0.0	-85.44	335.63	6.31	-79.13
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CCF)C(=O)[O-])C1	REAL300012758035	1	42	0.0	-85.45	335.64	6.31	-79.14
COC1(CC(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C(=O)[O-])CCC1	REAL300012758036	1	53	0.0	-79.39	396.28	7.94	-71.45
COC1(CC(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(=O)[O-])CCC1	REAL300012758036	1	53	0.0	-88.36	400.00	7.40	-80.96
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012758037	1	50	0.0	-60.49	371.73	7.88	-52.61
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012758037	1	50	0.0	-57.46	371.28	8.32	-49.14
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012758038	1	52	0.0	-68.91	380.64	10.25	-58.66
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012758038	1	52	0.0	-59.93	380.20	10.71	-49.22
C[C@H]1CC[C@@](NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)(C(=O)[O-])CC1	REAL300012758039	1	52	0.0	-89.35	371.95	9.13	-80.22
C[C@H]1CC[C@@](NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)(C(=O)[O-])CC1	REAL300012758039	1	52	0.0	-88.47	370.12	8.59	-79.88
COC1=CC=CC(C(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012758040	1	50	0.0	-82.36	394.73	7.53	-74.83
COC1=CC=CC(C(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012758040	1	50	0.0	-81.60	394.03	7.57	-74.03
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012758041	1	45	0.0	-73.55	339.77	6.59	-66.96
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012758041	1	45	0.0	-80.89	337.50	6.52	-74.37
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012758042	1	47	0.0	-63.91	362.50	9.29	-54.62
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012758042	1	47	0.0	-65.59	361.17	9.17	-56.42
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012758043	1	43	0.0	-86.98	342.96	7.84	-79.14
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012758043	1	43	0.0	-79.68	343.03	7.81	-71.87
COC1=CC=CC([C@H](NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012758044	1	50	0.0	-83.77	394.25	7.98	-75.79
COC1=CC=CC([C@H](NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012758044	1	50	0.0	-82.39	394.69	7.52	-74.87
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C1	REAL300012758045	1	52	0.0	-89.69	393.38	9.74	-79.95
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C1	REAL300012758045	1	52	0.0	-88.64	392.03	9.56	-79.08
COC1=CC=CC(CC(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012758046	1	53	0.0	-82.96	416.98	8.47	-74.49
COC1=CC=CC(CC(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300012758046	1	53	0.0	-78.70	416.86	8.47	-70.23
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012758047	1	55	0.0	-89.35	384.16	9.08	-80.27
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012758047	1	55	0.0	-84.91	385.96	9.61	-75.30
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012758048	1	44	0.0	-94.71	335.74	8.59	-86.12
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012758048	1	44	0.0	-93.82	332.47	9.04	-84.78
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012758049	1	51	0.0	-86.44	400.79	10.06	-76.38
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012758049	1	51	0.0	-82.92	401.23	9.61	-73.31
COC1CN(C(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C(C)(C(=O)[O-])C1	REAL300012758050	1	50	0.0	-86.35	377.73	7.98	-78.37
COC1CN(C(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(C)(C(=O)[O-])C1	REAL300012758050	1	50	0.0	-82.68	378.12	7.53	-75.15
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012758051	1	53	0.0	-82.49	394.96	8.16	-74.33
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012758051	1	53	0.0	-79.01	395.81	8.15	-70.86
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012758052	1	48	0.0	-77.23	358.16	7.29	-69.94
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300012758052	1	48	0.0	-80.89	359.37	7.73	-73.16
C=C(Cl)CC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758053	1	43	0.0	-78.67	358.24	7.22	-71.45
C=C(Cl)CC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758053	1	43	0.0	-78.76	356.76	7.81	-70.95
C=C(C)CC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758054	1	46	0.0	-77.66	362.92	7.36	-70.30
C=C(C)CC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758054	1	46	0.0	-84.88	361.43	7.99	-76.89
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012758055	1	47	0.0	-97.70	347.53	9.85	-87.85
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012758055	1	47	0.0	-99.81	349.67	9.87	-89.94
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012758056	1	52	0.0	-76.20	396.98	9.36	-66.84
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012758056	1	52	0.0	-76.10	397.02	9.35	-66.75
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012758057	1	43	0.0	-85.99	341.25	8.29	-77.70
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012758057	1	43	0.0	-85.50	341.65	7.86	-77.64
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012758058	1	43	0.0	-91.68	336.06	8.21	-83.47
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012758058	1	43	0.0	-90.73	335.20	7.75	-82.98
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C1	REAL300012758059	1	44	0.0	-92.88	341.60	8.59	-84.29
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C1	REAL300012758059	1	44	0.0	-88.95	342.84	8.56	-80.39
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012758060	1	53	0.0	-78.55	400.49	6.97	-71.58
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012758060	1	53	0.0	-78.98	395.56	8.17	-70.81
CC(C)C[C@H](NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758061	1	48	0.0	-79.75	367.23	7.93	-71.82
CC(C)C[C@H](NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758061	1	48	0.0	-76.96	366.90	7.47	-69.49
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012758062	1	50	0.0	-76.75	376.11	6.17	-70.58
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012758062	1	50	0.0	-81.12	373.53	5.96	-75.16
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012758063	1	46	0.0	-79.80	365.11	8.23	-71.57
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012758063	1	46	0.0	-79.19	364.98	8.31	-70.88
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012758064	1	46	0.0	-78.96	360.49	8.12	-70.84
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012758064	1	46	0.0	-83.94	360.51	8.12	-75.82
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012758065	1	45	0.0	-76.37	373.70	6.41	-69.96
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012758065	1	45	0.0	-78.14	373.52	6.80	-71.34
CC(C)CCCC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758066	1	54	0.0	-79.43	410.60	9.46	-69.97
CC(C)CCCC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758066	1	54	0.0	-86.64	411.10	9.01	-77.63
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012758067	1	52	0.0	-82.02	416.03	9.67	-72.35
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012758067	1	52	0.0	-78.44	417.34	9.57	-68.87
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012758068	1	50	0.0	-84.03	384.55	7.07	-76.96
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012758068	1	50	0.0	-79.62	382.76	7.54	-72.08
CSCC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758069	1	43	0.0	-75.99	351.33	7.08	-68.91
CSCC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758069	1	43	0.0	-75.09	351.79	6.63	-68.46
COC[C@H](NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758070	1	43	0.0	-79.83	340.25	4.91	-74.92
COC[C@H](NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758070	1	43	0.0	-78.26	340.40	4.39	-73.87
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012758071	1	49	0.0	-85.61	393.87	9.25	-76.36
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012758071	1	49	0.0	-84.45	393.26	9.71	-74.74
CCC(C)CC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758072	1	51	0.0	-84.64	385.35	8.64	-76.00
CCC(C)CC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758072	1	51	0.0	-86.81	385.79	8.18	-78.63
C=CCCCC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758073	1	49	0.0	-86.11	384.60	8.33	-77.78
C=CCCCC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758073	1	49	0.0	-77.60	384.86	8.27	-69.33
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012758074	1	49	0.0	-84.43	393.32	9.70	-74.73
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012758074	1	49	0.0	-80.10	393.37	9.70	-70.40
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012758075	1	52	0.0	-89.03	405.69	10.85	-78.18
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012758075	1	52	0.0	-84.92	405.65	10.85	-74.07
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012758076	1	44	0.0	-93.52	338.41	9.55	-83.97
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012758076	1	44	0.0	-95.44	339.07	9.56	-85.88
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012758077	1	49	0.0	-85.95	370.93	8.86	-77.09
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012758077	1	49	0.0	-85.88	370.91	8.87	-77.01
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012758078	1	43	0.0	-89.06	329.53	8.13	-80.93
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC[C@@H]2C(=O)[O-])C1	REAL300012758078	1	43	0.0	-94.26	329.47	8.13	-86.13
CCCC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758079	1	45	0.0	-85.69	349.71	6.94	-78.75
CCCC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758079	1	45	0.0	-76.78	349.70	6.94	-69.84
CC(C)[C@@H](NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758080	1	45	0.0	-84.78	340.69	6.95	-77.83
CC(C)[C@@H](NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758080	1	45	0.0	-79.04	339.98	7.03	-72.01
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012758081	1	47	0.0	-99.16	348.73	9.98	-89.18
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012758081	1	47	0.0	-97.99	349.68	9.99	-88.00
CCN(C(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(C)(C)C(=O)[O-]	REAL300012758082	1	48	0.0	-83.25	353.16	9.29	-73.96
CCN(C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(C)(C)C(=O)[O-]	REAL300012758082	1	48	0.0	-80.81	353.88	8.86	-71.95
CCCN(C(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(C)C(=O)[O-]	REAL300012758083	1	48	0.0	-63.63	357.89	9.14	-54.49
CCCN(C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(C)C(=O)[O-]	REAL300012758083	1	48	0.0	-76.04	357.31	9.15	-66.89
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012758084	1	42	0.0	-80.14	341.54	8.48	-71.66
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012758084	1	42	0.0	-74.83	341.07	8.93	-65.90
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012758085	1	42	0.0	-80.14	341.54	8.48	-71.66
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012758085	1	42	0.0	-74.83	341.07	8.93	-65.90
CN(C(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(C)(C)C(=O)[O-]	REAL300012758086	1	45	0.0	-83.32	333.71	8.44	-74.88
CN(C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(C)(C)C(=O)[O-]	REAL300012758086	1	45	0.0	-80.42	334.15	8.00	-72.42
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012758087	1	43	0.0	-93.07	328.24	8.13	-84.94
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300012758087	1	43	0.0	-94.46	330.03	7.65	-86.81
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012758088	1	55	0.0	-61.95	415.27	6.45	-55.50
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012758088	1	55	0.0	-58.59	409.58	6.69	-51.90
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012758089	1	44	0.0	-95.10	339.67	4.37	-90.73
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012758089	1	44	0.0	-85.90	339.77	4.37	-81.53
CN1CC2=CC=CC=C2C(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012758090	0	59	0.0	-59.62	428.91	5.38	-54.24
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012758091	1	50	0.0	-60.35	383.29	10.85	-49.50
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012758091	1	50	0.0	-67.41	382.75	10.92	-56.49
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2C[N@H+](C)CC3=CC=CC=C32)[C@H]1C(=O)[O-]	REAL300012758092	1	53	0.0	-74.65	391.42	11.26	-63.39
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)[C@H]1C(=O)[O-]	REAL300012758092	1	53	0.0	-68.07	392.05	11.18	-56.89
CCC[C@@H](NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758093	1	45	0.0	-84.43	350.05	7.38	-77.05
CCC[C@@H](NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758093	1	45	0.0	-78.91	349.79	7.45	-71.46
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012758094	1	51	0.0	-75.64	384.37	9.40	-66.24
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012758094	1	51	0.0	-75.58	384.40	9.41	-66.17
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012758095	1	46	0.0	-86.92	364.88	8.31	-78.61
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012758095	1	46	0.0	-84.61	364.44	8.77	-75.84
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012758096	1	51	0.0	-87.88	405.02	8.25	-79.63
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012758096	1	51	0.0	-86.70	404.82	8.65	-78.05
C=CCCC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758097	1	46	0.0	-86.51	363.34	7.49	-79.02
C=CCCC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758097	1	46	0.0	-85.24	362.53	7.50	-77.74
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012758098	1	45	0.0	-75.92	374.18	6.18	-69.74
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012758098	1	45	0.0	-87.48	373.25	6.70	-80.78
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012758099	1	46	0.0	-73.38	393.20	8.05	-65.33
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012758099	1	46	0.0	-74.72	392.22	8.46	-66.26
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012758100	1	46	0.0	-101.72	357.31	5.88	-95.84
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012758100	1	46	0.0	-103.98	358.08	5.91	-98.07
CN1CC(C(=O)[O-])N(C(=O)NC2C[N@H+](C)CC3=CC=CC=C32)CC1=O	REAL300012758101	1	47	0.0	-83.01	355.97	7.24	-75.77
CN1CC(C(=O)[O-])N(C(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)CC1=O	REAL300012758101	1	47	0.0	-83.44	356.01	7.31	-76.13
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012758102	1	46	0.0	-91.62	344.01	8.52	-83.10
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012758102	1	46	0.0	-91.99	344.44	9.01	-82.98
CC(C)[C@H](NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758103	1	45	0.0	-79.89	341.31	6.94	-72.95
CC(C)[C@H](NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758103	1	45	0.0	-78.10	346.01	6.74	-71.36
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012758104	1	46	0.0	-79.80	365.15	8.25	-71.55
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012758104	1	46	0.0	-80.33	364.48	8.77	-71.56
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012758105	1	49	0.0	-86.94	372.29	7.41	-79.53
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012758105	1	49	0.0	-85.24	377.02	7.48	-77.76
CCC[C@H](NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758106	1	45	0.0	-78.66	349.20	7.41	-71.25
CCC[C@H](NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758106	1	45	0.0	-76.79	349.70	6.94	-69.85
CCN(C(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(C)C(=O)[O-]	REAL300012758107	1	45	0.0	-75.48	336.23	8.46	-67.02
CCN(C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(C)C(=O)[O-]	REAL300012758107	1	45	0.0	-75.13	337.81	8.09	-67.04
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012758108	1	49	0.0	-59.77	362.71	9.52	-50.25
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012758108	1	49	0.0	-60.02	363.99	10.03	-49.99
CC(CN(C)C(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758109	1	45	0.0	-88.51	340.11	8.33	-80.18
CC(CN(C)C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758109	1	45	0.0	-82.49	335.67	7.53	-74.96
CC[C@H](C)[C@H](NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758110	1	48	0.0	-80.37	359.78	7.58	-72.79
CC[C@H](C)[C@H](NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758110	1	48	0.0	-77.91	359.49	7.16	-70.75
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012758111	1	45	0.0	-75.47	338.94	8.77	-66.70
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012758111	1	45	0.0	-74.47	339.94	8.20	-66.27
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012758112	1	47	0.0	-87.26	360.48	3.97	-83.29
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012758112	1	47	0.0	-88.45	360.44	4.01	-84.44
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758113	1	55	0.0	-80.14	411.23	7.96	-72.18
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758113	1	55	0.0	-79.55	412.51	7.47	-72.08
CC1CCC(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012758114	1	49	0.0	-83.86	364.75	8.23	-75.63
CC1CCC(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012758114	1	49	0.0	-80.16	364.32	7.77	-72.39
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012758115	1	52	0.0	-80.91	372.67	8.42	-72.49
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012758115	1	52	0.0	-89.98	372.48	8.88	-81.10
COCCC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758116	1	46	0.0	-86.01	361.89	5.23	-80.78
COCCC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758116	1	46	0.0	-86.85	362.71	5.23	-81.62
CN(C(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012758117	1	52	0.0	-77.71	395.96	11.67	-66.04
CN(C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012758117	1	52	0.0	-75.68	395.70	11.21	-64.47
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012758118	1	49	0.0	-82.85	366.65	8.49	-74.36
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012758118	1	49	0.0	-91.15	366.18	8.93	-82.22
CC1CCC(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)(C(=O)[O-])C2=CC=CC=C21	REAL300012758119	1	56	0.0	-85.21	413.67	10.96	-74.25
CC1CCC(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)(C(=O)[O-])C2=CC=CC=C21	REAL300012758119	1	56	0.0	-88.52	413.42	10.92	-77.60
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012758120	1	46	0.0	-79.14	355.34	7.13	-72.01
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012758120	1	46	0.0	-82.10	352.16	7.98	-74.12
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758121	1	55	0.0	-85.18	412.33	7.90	-77.28
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758121	1	55	0.0	-89.03	413.08	7.37	-81.66
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012758122	1	44	0.0	-100.49	339.73	4.53	-95.96
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012758122	1	44	0.0	-99.64	339.25	5.00	-94.64
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012758123	1	54	0.0	-74.17	407.05	11.72	-62.45
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012758123	1	54	0.0	-68.30	407.52	11.74	-56.56
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012758124	1	47	0.0	-80.32	355.88	5.16	-75.16
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012758124	1	47	0.0	-80.53	355.43	5.63	-74.90
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012758125	1	47	0.0	-97.09	349.46	9.57	-87.52
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012758125	1	47	0.0	-95.37	349.29	9.08	-86.29
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012758126	1	50	0.0	-94.30	396.88	8.37	-85.93
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012758126	1	50	0.0	-93.08	396.45	8.84	-84.24
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012758127	1	45	0.0	-93.37	341.96	7.25	-86.12
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012758127	1	45	0.0	-91.28	341.93	7.25	-84.03
CC1CCC(C(=O)[O-])N(C(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C1	REAL300012758128	1	49	0.0	-91.92	355.02	10.13	-81.79
CC1CCC(C(=O)[O-])N(C(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C1	REAL300012758128	1	49	0.0	-90.83	353.50	9.79	-81.04
CC(C1=CC=CC=C1)C(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758129	1	52	0.0	-85.22	403.69	10.03	-75.19
CC(C1=CC=CC=C1)C(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758129	1	52	0.0	-78.68	404.16	9.59	-69.09
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012758130	1	53	0.0	-84.07	400.46	9.79	-74.28
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012758130	1	53	0.0	-79.17	400.48	9.79	-69.38
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012758131	1	46	0.0	-85.43	355.35	7.68	-77.75
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012758131	1	46	0.0	-85.40	355.28	7.68	-77.72
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012758132	1	59	0.0	-82.02	421.98	9.38	-72.64
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012758132	1	59	0.0	-88.07	421.91	9.36	-78.71
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012758133	1	52	0.0	-80.65	381.67	8.90	-71.75
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012758133	1	52	0.0	-88.43	387.71	8.62	-79.81
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012758134	1	46	0.0	-85.43	355.35	7.68	-77.75
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012758134	1	46	0.0	-85.40	355.28	7.68	-77.72
CC1CCN(C(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C1C(=O)[O-]	REAL300012758135	1	46	0.0	-93.44	343.47	8.67	-84.77
CC1CCN(C(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C1C(=O)[O-]	REAL300012758135	1	46	0.0	-92.19	341.09	8.98	-83.21
C=CCC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758136	1	43	0.0	-76.45	341.47	6.64	-69.81
C=CCC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758136	1	43	0.0	-79.02	341.85	7.07	-71.95
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012758137	1	53	0.0	-88.65	402.81	7.81	-80.84
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012758137	1	53	0.0	-83.03	400.53	8.42	-74.61
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012758138	1	53	0.0	-48.05	374.32	10.34	-37.71
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012758138	1	53	0.0	-58.34	385.01	10.21	-48.13
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012758139	1	53	0.0	-80.00	374.48	7.08	-72.92
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012758139	1	53	0.0	-89.72	378.60	7.54	-82.18
CC1=CC=CC2=C1CCN(C(=O)NC1C[N@@H+](C)CC3=CC=CC=C31)C2C(=O)[O-]	REAL300012758140	1	53	0.0	-94.87	392.39	11.53	-83.34
CC1=CC=CC2=C1CCN(C(=O)NC1C[N@H+](C)CC3=CC=CC=C31)C2C(=O)[O-]	REAL300012758140	1	53	0.0	-72.03	398.62	11.05	-60.98
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012758141	1	47	0.0	-64.26	350.54	9.11	-55.15
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012758141	1	47	0.0	-56.70	350.58	9.10	-47.60
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012758142	1	53	0.0	-84.07	400.46	9.79	-74.28
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012758142	1	53	0.0	-79.17	400.48	9.79	-69.38
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012758143	1	49	0.0	-75.93	393.77	9.24	-66.69
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012758143	1	49	0.0	-80.47	393.65	9.31	-71.16
COC1CC(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012758144	1	47	0.0	-78.47	361.90	5.65	-72.82
COC1CC(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012758144	1	47	0.0	-84.77	363.43	5.74	-79.03
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012758145	1	43	0.0	-83.69	338.44	7.24	-76.45
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012758145	1	43	0.0	-88.44	338.09	7.25	-81.19
CO[C@H]1C[C@](NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012758146	1	47	0.0	-85.83	360.05	5.98	-79.85
CO[C@H]1C[C@](NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)(C(=O)[O-])C1	REAL300012758146	1	47	0.0	-86.90	361.70	6.50	-80.40
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012758147	1	46	0.0	-74.52	371.84	7.53	-66.99
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012758147	1	46	0.0	-75.11	370.00	7.98	-67.13
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012758148	1	49	0.0	-87.07	360.13	10.18	-76.89
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012758148	1	49	0.0	-93.51	360.60	9.79	-83.72
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012758149	1	42	0.0	-73.29	344.97	6.85	-66.44
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012758149	1	42	0.0	-78.98	344.14	6.88	-72.10
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012758150	1	50	0.0	-81.58	382.17	6.70	-74.88
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012758150	1	50	0.0	-78.50	380.30	6.37	-72.13
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012758151	1	41	0.0	-79.23	320.56	4.27	-74.96
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])COC2)C1	REAL300012758151	1	41	0.0	-83.54	320.49	4.27	-79.27
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012758152	1	46	0.0	-84.99	379.37	8.24	-76.75
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012758152	1	46	0.0	-86.65	378.51	8.26	-78.39
COCC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300012758153	1	53	0.0	-80.28	405.44	8.58	-71.70
COCC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300012758153	1	53	0.0	-78.48	405.95	8.13	-70.35
CC(C)C(C)(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758154	1	48	0.0	-85.21	347.60	7.52	-77.69
CC(C)C(C)(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758154	1	48	0.0	-77.11	348.04	7.09	-70.02
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012758155	1	44	0.0	-93.66	334.90	9.52	-84.14
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012758155	1	44	0.0	-89.36	335.37	9.08	-80.28
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012758156	1	47	0.0	-90.14	350.58	9.12	-81.02
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012758156	1	47	0.0	-85.81	351.23	8.84	-76.97
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012758157	1	52	0.0	-46.92	396.33	12.42	-34.50
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012758157	1	52	0.0	-47.64	395.92	12.52	-35.12
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012758158	1	55	0.0	-86.96	409.13	9.44	-77.52
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012758158	1	55	0.0	-78.05	409.43	9.36	-68.69
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012758159	1	52	0.0	-78.69	410.44	9.95	-68.74
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012758159	1	52	0.0	-80.65	409.93	10.42	-70.23
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012758160	1	52	0.0	-80.16	409.70	10.47	-69.69
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012758160	1	52	0.0	-85.67	409.95	10.42	-75.25
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012758161	1	53	0.0	-87.88	389.50	8.87	-79.01
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012758161	1	53	0.0	-80.84	390.22	9.39	-71.45
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012758162	1	55	0.0	-86.87	409.17	9.44	-77.43
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012758162	1	55	0.0	-84.82	408.68	9.90	-74.92
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012758163	1	55	0.0	-78.08	409.35	9.36	-68.72
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012758163	1	55	0.0	-80.15	408.91	9.83	-70.32
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012758164	1	53	0.0	-56.57	390.51	10.00	-46.57
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012758164	1	53	0.0	-52.73	389.19	10.48	-42.25
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012758165	1	53	0.0	-90.28	385.06	10.28	-80.00
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012758165	1	53	0.0	-86.30	387.28	9.97	-76.33
COC1=CC=C(CC(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300012758166	1	53	0.0	-86.22	416.09	8.48	-77.74
COC1=CC=C(CC(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300012758166	1	53	0.0	-88.99	416.92	8.48	-80.51
C=CCSCC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758167	1	47	0.0	-82.78	386.77	8.03	-74.75
C=CCSCC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758167	1	47	0.0	-77.10	386.28	8.50	-68.60
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012758168	1	50	0.0	-77.56	407.92	9.64	-67.92
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012758168	1	50	0.0	-86.54	408.25	9.57	-76.97
CCC(C(=O)[O-])N(CC)C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012758169	1	48	0.0	-82.28	354.94	9.97	-72.31
CCC(C(=O)[O-])N(CC)C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012758169	1	48	0.0	-80.41	353.57	9.50	-70.91
COC1(C(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C(=O)[O-])CCC1	REAL300012758170	1	50	0.0	-81.17	376.25	6.35	-74.82
COC1(C(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(=O)[O-])CCC1	REAL300012758170	1	50	0.0	-91.26	378.25	6.51	-84.75
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012758171	1	52	0.0	-84.54	390.53	9.58	-74.96
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012758171	1	52	0.0	-90.63	390.46	9.57	-81.06
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012758172	1	53	0.0	-87.60	394.18	10.16	-77.44
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012758172	1	53	0.0	-84.43	395.98	10.67	-73.76
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012758173	1	46	0.0	-80.83	360.21	7.53	-73.30
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012758173	1	46	0.0	-77.16	360.28	7.52	-69.64
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300012758175	1	58	0.0	-79.43	441.32	10.56	-68.87
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300012758175	1	58	0.0	-79.38	441.43	10.55	-68.83
CC(C)C1=CC=C(C(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300012758176	1	55	0.0	-79.37	425.46	10.16	-69.21
CC(C)C1=CC=C(C(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300012758176	1	55	0.0	-86.50	425.16	10.26	-76.24
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012758177	1	43	0.0	-91.68	336.06	8.21	-83.47
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012758177	1	43	0.0	-90.73	335.20	7.75	-82.98
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012758178	1	45	0.0	-53.33	344.07	9.25	-44.08
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012758178	1	45	0.0	-56.38	342.71	8.94	-47.44
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012758179	1	49	0.0	-84.81	360.13	8.98	-75.83
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012758179	1	49	0.0	-85.71	361.75	8.82	-76.89
CCOC1=CC=C(C(NC(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300012758180	1	53	0.0	-86.85	416.53	8.46	-78.39
CCOC1=CC=C(C(NC(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300012758180	1	53	0.0	-79.39	416.45	8.45	-70.94
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012758181	1	53	0.0	-92.18	385.16	10.89	-81.29
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012758181	1	53	0.0	-95.62	382.04	11.01	-84.61
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012758182	1	53	0.0	-79.50	407.80	10.04	-69.46
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012758182	1	53	0.0	-85.94	406.27	11.10	-74.84
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012758183	1	53	0.0	-90.35	405.31	9.12	-81.23
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012758183	1	53	0.0	-86.11	407.12	9.65	-76.46
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012758184	1	49	0.0	-89.86	400.93	9.63	-80.23
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012758184	1	49	0.0	-84.70	400.09	9.64	-75.06
CC(C)CCC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758185	1	51	0.0	-85.88	388.78	8.23	-77.65
CC(C)CCC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758185	1	51	0.0	-76.84	388.77	8.23	-68.61
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012758186	1	50	0.0	-51.11	374.17	9.99	-41.12
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012758186	1	50	0.0	-56.33	374.65	9.56	-46.77
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012758187	1	50	0.0	-81.58	382.17	6.70	-74.88
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012758187	1	50	0.0	-78.50	380.30	6.37	-72.13
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](C)CC3=CC=CC=C32)C1	REAL300012758188	1	47	0.0	-85.92	370.66	9.62	-76.30
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)C1	REAL300012758188	1	47	0.0	-90.71	370.59	9.60	-81.11
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012758189	1	50	0.0	-87.52	364.44	8.51	-79.01
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012758189	1	50	0.0	-82.97	366.57	9.11	-73.86
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012758190	1	47	0.0	-90.98	351.10	8.49	-82.49
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012758190	1	47	0.0	-85.39	351.43	8.46	-76.93
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012758191	1	50	0.0	-84.05	372.36	8.84	-75.21
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012758191	1	50	0.0	-88.92	372.18	8.87	-80.05
CN(C(=O)NC1C[N@H+](C)CC2=CC=CC=C21)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012758192	1	52	0.0	-82.83	397.49	11.69	-71.14
CN(C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012758192	1	52	0.0	-84.23	396.03	11.10	-73.13
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012758193	1	56	0.0	-64.09	403.77	10.50	-53.59
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012758193	1	56	0.0	-51.25	404.26	10.96	-40.29
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012758194	1	49	0.0	-79.94	364.85	8.20	-71.74
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012758194	1	49	0.0	-78.05	365.21	7.75	-70.30
CO[C@H](C)[C@H](NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758195	1	46	0.0	-80.02	358.62	5.86	-74.16
CO[C@H](C)[C@H](NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758195	1	46	0.0	-77.75	358.55	5.40	-72.35
CC1[C@@H](C)[C@@]1(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758196	1	46	0.0	-87.39	347.76	8.05	-79.34
CC1[C@@H](C)[C@@]1(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758196	1	46	0.0	-90.07	350.66	7.76	-82.31
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012758197	1	49	0.0	-60.50	385.54	11.44	-49.06
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012758197	1	49	0.0	-60.48	385.41	11.44	-49.04
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012758198	1	49	0.0	-64.42	367.65	8.86	-55.56
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012758198	1	49	0.0	-52.96	367.06	9.30	-43.66
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012758199	1	46	0.0	-93.86	349.76	9.77	-84.09
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012758199	1	46	0.0	-92.68	349.81	9.48	-83.20
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012758200	1	43	0.0	-93.59	341.47	7.78	-85.81
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012758200	1	43	0.0	-86.68	341.50	7.77	-78.91
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012758201	1	49	0.0	-75.93	393.77	9.24	-66.69
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012758201	1	49	0.0	-80.47	393.65	9.31	-71.16
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012758202	1	46	0.0	-78.47	378.25	8.09	-70.38
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012758202	1	46	0.0	-80.36	377.55	8.61	-71.75
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012758203	1	46	0.0	-90.14	356.20	8.73	-81.41
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012758203	1	46	0.0	-84.56	356.44	9.15	-75.41
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012758204	1	50	0.0	-88.05	390.23	8.74	-79.31
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012758204	1	50	0.0	-90.35	391.57	9.29	-81.06
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012758205	1	54	0.0	-90.90	414.53	10.87	-80.03
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012758205	1	54	0.0	-91.85	416.58	10.22	-81.63
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012758206	1	46	0.0	-78.47	378.25	8.09	-70.38
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012758206	1	46	0.0	-80.36	377.55	8.61	-71.75
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012758207	1	50	0.0	-90.59	365.32	9.61	-80.98
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012758207	1	50	0.0	-95.93	364.76	9.59	-86.34
COCCCC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758208	1	49	0.0	-78.33	383.47	6.52	-71.81
COCCCC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758208	1	49	0.0	-84.97	383.97	6.06	-78.91
CCCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](C)CC2=CC=CC=C21	REAL300012758209	1	48	0.0	-79.45	360.44	9.48	-69.97
CCCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C)CC2=CC=CC=C21	REAL300012758209	1	48	0.0	-75.25	361.60	9.53	-65.72
CCOCC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758210	1	46	0.0	-80.08	361.78	5.83	-74.25
CCOCC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300012758210	1	46	0.0	-79.32	362.75	5.38	-73.94
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012758211	1	51	0.0	-86.79	379.63	8.62	-78.17
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C1	REAL300012758211	1	51	0.0	-77.13	379.63	8.62	-68.51
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012758212	1	50	0.0	-85.31	376.37	6.73	-78.58
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012758212	1	50	0.0	-86.47	380.13	7.22	-79.25
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012758213	1	50	0.0	-83.54	384.21	9.85	-73.69
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012758213	1	50	0.0	-82.74	382.72	9.78	-72.96
C[C@H]1OCCN(C(=O)NC2C[N@H+](C)CC3=CC=CC=C32)[C@@H]1C(=O)[O-]	REAL300012758214	1	47	0.0	-90.26	350.17	7.53	-82.73
C[C@H]1OCCN(C(=O)NC2C[N@@H+](C)CC3=CC=CC=C32)[C@@H]1C(=O)[O-]	REAL300012758214	1	47	0.0	-90.30	350.81	7.52	-82.78
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012758215	1	49	0.0	-79.16	370.06	9.51	-69.65
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012758215	1	49	0.0	-76.87	370.00	9.08	-67.79
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012758216	1	43	0.0	-87.83	349.90	6.67	-81.16
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012758216	1	43	0.0	-86.88	349.06	6.67	-80.21
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012758217	1	60	0.0	-84.80	421.09	10.73	-74.07
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012758217	1	60	0.0	-84.78	421.15	10.73	-74.05
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012758218	1	52	0.0	-90.77	417.31	9.44	-81.33
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012758218	1	52	0.0	-87.78	411.94	9.55	-78.23
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012758219	1	46	0.0	-63.03	367.63	9.11	-53.92
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012758219	1	46	0.0	-62.81	361.56	9.33	-53.48
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C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012758220	1	57	0.0	-95.14	401.87	10.28	-84.86
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CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C1CCC[N@@H+](C2CCC2)C1	REAL300012763101	0	59	0.0	-76.63	412.75	6.93	-69.70
CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C1CCC[N@H+](C2CCC2)C1	REAL300012763101	1	59	0.0	-74.69	431.35	7.87	-66.82
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CCC[N@@H+](C2CCC2)C1	REAL300012763102	0	55	0.0	-76.48	404.35	9.18	-67.30
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CCC[N@H+](C2CCC2)C1	REAL300012763102	1	55	0.0	-69.96	410.57	9.90	-60.06
CC(NC(=O)NC(CC1CC1)C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763103	0	55	0.0	-73.57	413.56	9.26	-64.31
CC(NC(=O)NC(CC1CC1)C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763103	1	55	0.0	-69.80	405.18	9.40	-60.40
CC(NC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763104	0	54	0.0	-74.62	414.00	7.22	-67.40
CC(NC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763104	1	54	0.0	-60.39	419.44	8.00	-52.39
CC(C)CCCC(NC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763105	0	63	0.0	-71.13	458.23	10.44	-60.69
CC(C)CCCC(NC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763105	1	63	0.0	-68.10	456.46	10.67	-57.43
CC(NC(=O)NC(CC1CCCO1)C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763106	0	59	0.0	-79.53	437.53	8.18	-71.35
CC(NC(=O)NC(CC1CCCO1)C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763106	1	59	0.0	-71.93	429.66	8.47	-63.46
CSCC(NC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763107	0	52	0.0	-72.42	404.92	8.25	-64.17
CSCC(NC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763107	1	52	0.0	-65.64	397.86	8.24	-57.40
COC[C@H](NC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763108	0	52	0.0	-77.14	380.69	5.31	-71.83
COC[C@H](NC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763108	1	52	0.0	-72.16	386.27	6.07	-66.09
CC[C@H](NC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763109	0	51	0.0	-75.52	368.83	7.07	-68.45
CC[C@H](NC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763109	1	51	0.0	-73.58	381.33	7.82	-65.76
CC(NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763110	0	58	0.0	-73.77	441.20	10.63	-63.14
CC(NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763110	1	58	0.0	-68.85	439.42	10.91	-57.94
CCC(C)CC(NC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763111	0	60	0.0	-75.26	438.38	9.79	-65.47
CCC(C)CC(NC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763111	1	60	0.0	-67.95	431.09	9.85	-58.10
C=CCCCC(NC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763112	0	58	0.0	-73.50	437.26	9.95	-63.55
C=CCCCC(NC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763112	1	58	0.0	-67.70	429.97	10.00	-57.70
CC(NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763113	0	58	0.0	-73.30	439.18	10.43	-62.87
CC(NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763113	1	58	0.0	-72.40	445.27	10.92	-61.48
CC(NC(=O)N1CCSCC1C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763114	0	53	0.0	-79.45	386.01	10.45	-69.00
CC(NC(=O)N1CCSCC1C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763114	1	53	0.0	-71.63	384.94	10.88	-60.75
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCC[N@@H+](C2CCC2)C1	REAL300012763115	0	58	0.0	-75.94	412.79	9.93	-66.01
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCC[N@H+](C2CCC2)C1	REAL300012763115	1	58	0.0	-69.17	418.35	10.68	-58.49
CC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763116	0	52	0.0	-81.51	369.82	8.58	-72.93
CC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763116	1	52	0.0	-76.70	375.55	9.33	-67.37
CCCC(NC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763117	0	54	0.0	-73.15	402.71	8.66	-64.49
CCCC(NC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763117	1	54	0.0	-67.73	395.66	8.65	-59.08
CC(C)[C@@H](NC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763118	0	54	0.0	-73.89	391.54	8.15	-65.74
CC(C)[C@@H](NC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763118	1	54	0.0	-69.57	386.57	8.15	-61.42
CC(NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763119	0	56	0.0	-78.57	394.59	11.23	-67.34
CC(NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763119	1	56	0.0	-79.80	394.90	11.30	-68.50
CCN(C(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(C)(C)C(=O)[O-]	REAL300012763120	0	57	0.0	-76.97	393.56	9.84	-67.13
CCN(C(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(C)(C)C(=O)[O-]	REAL300012763120	1	57	0.0	-69.72	399.10	10.57	-59.15
CCCN(C(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(C)C(=O)[O-]	REAL300012763121	0	57	0.0	-73.51	413.79	11.09	-62.42
CCCN(C(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(C)C(=O)[O-]	REAL300012763121	1	57	0.0	-49.49	400.99	11.19	-38.30
CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCC[N@@H+](C2CCC2)C1	REAL300012763122	0	51	0.0	-69.40	381.37	9.37	-60.03
CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCC[N@H+](C2CCC2)C1	REAL300012763122	1	51	0.0	-64.07	386.95	10.13	-53.94
CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCC[N@@H+](C2CCC2)C1	REAL300012763123	0	51	0.0	-69.40	381.37	9.37	-60.03
CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CCC[N@H+](C2CCC2)C1	REAL300012763123	1	51	0.0	-64.07	386.95	10.13	-53.94
CC(NC(=O)N(C)C(C)(C)C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763124	0	54	0.0	-74.58	381.53	9.46	-65.12
CC(NC(=O)N(C)C(C)(C)C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763124	1	54	0.0	-72.52	379.30	9.70	-62.82
CC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763125	0	52	0.0	-78.30	376.08	9.07	-69.23
CC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763125	1	52	0.0	-79.99	369.04	8.56	-71.43
CC(NC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763126	0	64	0.0	-62.44	467.70	8.12	-54.32
CC(NC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763126	1	64	0.0	-43.78	455.72	7.87	-35.91
CC(NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763127	0	53	0.0	-79.16	386.62	5.94	-73.22
CC(NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763127	1	53	0.0	-76.57	386.73	5.93	-70.64
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1	REAL300012763128	0	59	0.0	-59.12	430.29	12.27	-46.85
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC(C)C1CCC[N@H+](C2CCC2)C1	REAL300012763128	1	59	0.0	-56.84	427.97	12.50	-44.34
CC(NC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763129	0	62	0.0	-62.07	439.41	12.65	-49.42
CC(NC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763129	1	62	0.0	-66.37	432.01	12.12	-54.25
CCC[C@@H](NC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763130	0	54	0.0	-74.55	397.91	8.31	-66.24
CCC[C@@H](NC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763130	1	54	0.0	-68.99	395.73	8.65	-60.34
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CCC[N@@H+](C2CCC2)C1	REAL300012763131	0	55	0.0	-75.55	412.35	9.70	-65.85
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CCC[N@H+](C2CCC2)C1	REAL300012763131	1	55	0.0	-76.88	405.44	9.16	-67.72
CC(NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763132	0	60	0.0	-76.61	457.73	9.85	-66.76
CC(NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763132	1	60	0.0	-69.39	450.44	9.91	-59.48
C=CCCC(NC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763133	0	55	0.0	-72.85	415.52	9.22	-63.63
C=CCCC(NC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763133	1	55	0.0	-72.55	414.81	9.17	-63.38
CC(NC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763134	0	54	0.0	-72.53	425.80	7.86	-64.67
CC(NC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763134	1	54	0.0	-68.36	418.78	7.85	-60.51
CC(NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763135	0	55	0.0	-88.09	405.61	6.99	-81.10
CC(NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763135	1	55	0.0	-84.83	403.58	7.29	-77.54
CC(NC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763136	0	56	0.0	-74.09	403.74	8.81	-65.28
CC(NC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763136	1	56	0.0	-74.24	402.71	8.71	-65.53
CC(NC(=O)N1CCC[C@]1(C)C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763137	0	55	0.0	-80.53	392.18	9.98	-70.55
CC(NC(=O)N1CCC[C@]1(C)C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763137	1	55	0.0	-81.45	385.25	9.51	-71.94
CC(C)[C@H](NC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763138	0	54	0.0	-75.31	394.12	8.16	-67.15
CC(C)[C@H](NC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763138	1	54	0.0	-70.97	391.46	8.41	-62.56
CC(NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1CCC[N@@H+](C2CCC2)C1	REAL300012763139	0	55	0.0	-75.01	409.92	9.46	-65.55
CC(NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1CCC[N@H+](C2CCC2)C1	REAL300012763139	1	55	0.0	-71.77	410.55	9.89	-61.88
CC(NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763140	0	58	0.0	-72.41	426.37	8.98	-63.43
CC(NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763140	1	58	0.0	-70.19	419.95	9.24	-60.95
CC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300012763141	0	51	0.0	-70.89	371.52	8.90	-61.99
CC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300012763141	1	51	0.0	-66.57	364.92	8.78	-57.79
CCC[C@H](NC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763142	0	54	0.0	-73.88	395.89	8.12	-65.76
CCC[C@H](NC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763142	1	54	0.0	-70.50	395.91	8.59	-61.91
CCN(C(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(C)C(=O)[O-]	REAL300012763143	0	54	0.0	-69.61	388.63	9.57	-60.04
CCN(C(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(C)C(=O)[O-]	REAL300012763143	1	54	0.0	-72.85	386.55	10.05	-62.80
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1CCC[N@@H+](C2CCC2)C1	REAL300012763144	0	58	0.0	-57.69	410.68	10.93	-46.76
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1CCC[N@H+](C2CCC2)C1	REAL300012763144	1	58	0.0	-42.75	408.95	11.17	-31.58
CC(CN(C)C(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763145	0	54	0.0	-73.44	388.53	9.07	-64.37
CC(CN(C)C(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763145	1	54	0.0	-78.01	393.61	9.58	-68.43
CC[C@H](C)[C@H](NC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763146	0	57	0.0	-74.66	411.01	8.78	-65.88
CC[C@H](C)[C@H](NC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300012763146	1	57	0.0	-60.46	405.01	8.83	-51.63
CC[C@@H](C(=O)[O-])N(C)C(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1	REAL300012763147	0	54	0.0	-72.45	379.25	9.06	-63.39
CC[C@@H](C(=O)[O-])N(C)C(=O)NC(C)C1CCC[N@H+](C2CCC2)C1	REAL300012763147	1	54	0.0	-68.17	384.82	9.81	-58.36
CC(NC(=O)NC1(C(=O)[O-])CC(CO)C1)C1CCC[N@@H+](C2CCC2)C1	REAL300012763148	0	56	0.0	-83.06	413.01	5.71	-77.35
CC(NC(=O)NC1(C(=O)[O-])CC(CO)C1)C1CCC[N@H+](C2CCC2)C1	REAL300012763148	1	56	0.0	-81.13	407.45	5.44	-75.69
CC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1CCC[N@@H+](C2CCC2)C1	REAL300012763149	0	64	0.0	-76.79	464.12	9.17	-67.62
CC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1CCC[N@H+](C2CCC2)C1	REAL300012763149	1	64	0.0	-60.93	455.94	9.13	-51.80
CC(NC(=O)NC1(C(=O)[O-])CCC(C)C1)C1CCC[N@@H+](C2CCC2)C1	REAL300012763150	0	58	0.0	-74.74	412.39	9.24	-65.50
CC(NC(=O)NC1(C(=O)[O-])CCC(C)C1)C1CCC[N@H+](C2CCC2)C1	REAL300012763150	1	58	0.0	-76.90	416.61	9.51	-67.39
CC(NC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1CCC[N@@H+](C2CCC2)C1	REAL300012763151	0	61	0.0	-75.40	421.97	10.01	-65.39
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CC(C(=O)[O-])N(C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C1CCC1	REAL300012770143	1	62	0.0	-55.07	451.63	12.53	-42.54
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CC(C)C(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770144	1	58	0.0	-82.13	424.17	10.28	-71.85
O=C([O-])C1CCCCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770145	0	59	0.0	-90.02	428.41	12.47	-77.55
O=C([O-])C1CCCCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770145	1	59	0.0	-88.44	427.29	12.43	-76.01
O=C([O-])C1(NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CCCCC1	REAL300012770146	0	62	0.0	-87.34	441.09	12.16	-75.18
O=C([O-])C1(NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CCCCC1	REAL300012770146	1	62	0.0	-87.68	443.00	12.13	-75.55
O=C([O-])C1CCCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770147	0	56	0.0	-90.57	413.05	11.45	-79.12
O=C([O-])C1CCCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770147	1	56	0.0	-78.73	417.09	11.02	-67.71
O=C([O-])C1(NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CCCC1	REAL300012770148	0	59	0.0	-75.80	432.56	10.61	-65.19
O=C([O-])C1(NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CCCC1	REAL300012770148	1	59	0.0	-78.43	433.53	10.61	-67.82
O=C([O-])CNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770149	0	49	0.0	-65.12	374.76	7.64	-57.48
O=C([O-])CNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770149	1	49	0.0	-65.52	369.16	8.12	-57.40
CCC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770150	0	55	0.0	-81.15	411.63	10.05	-71.10
CCC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770150	1	55	0.0	-73.36	411.49	9.96	-63.40
CC(C)C(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770151	0	58	0.0	-78.92	431.54	10.03	-68.89
CC(C)C(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770151	1	58	0.0	-82.13	424.17	10.28	-71.85
CN(CC(=O)[O-])C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770152	0	52	0.0	-80.25	394.62	10.31	-69.94
CN(CC(=O)[O-])C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770152	1	52	0.0	-73.00	387.58	10.78	-62.22
CC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770153	0	52	0.0	-67.43	390.05	8.96	-58.47
CC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770153	1	52	0.0	-67.64	389.50	8.97	-58.67
CCC(C)C(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770154	0	61	0.0	-72.46	448.01	10.47	-61.99
CCC(C)C(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770154	1	61	0.0	-80.99	443.71	11.13	-69.86
CN(CC(=O)[O-])C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770155	0	52	0.0	-80.25	394.62	10.31	-69.94
CN(CC(=O)[O-])C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770155	1	52	0.0	-73.00	387.58	10.78	-62.22
O=C([O-])C1CCCCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770156	0	59	0.0	-90.02	428.41	12.47	-77.55
O=C([O-])C1CCCCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770156	1	59	0.0	-88.44	427.29	12.43	-76.01
CCCC(C)(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770157	0	61	0.0	-81.90	437.50	11.12	-70.78
CCCC(C)(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770157	1	61	0.0	-73.67	437.42	11.07	-62.60
CC(C)N(CC(=O)[O-])C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770158	0	58	0.0	-67.08	419.54	12.04	-55.04
CC(C)N(CC(=O)[O-])C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770158	1	58	0.0	-66.89	420.31	12.09	-54.80
O=C([O-])CN(C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C1CC1	REAL300012770159	0	56	0.0	-84.10	417.21	12.14	-71.96
O=C([O-])CN(C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C1CC1	REAL300012770159	1	56	0.0	-74.64	415.54	12.18	-62.46
C=CCN(CC(=O)[O-])C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770160	0	56	0.0	-66.42	422.61	12.36	-54.06
C=CCN(CC(=O)[O-])C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770160	1	56	0.0	-66.14	422.23	12.34	-53.80
CC(C)CN(CC(=O)[O-])C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770161	0	61	0.0	-50.33	445.72	12.85	-37.48
CC(C)CN(CC(=O)[O-])C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770161	1	61	0.0	-49.30	446.30	12.78	-36.52
CC(C)(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770162	0	55	0.0	-63.92	402.61	9.36	-54.56
CC(C)(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770162	1	55	0.0	-64.20	402.23	9.34	-54.86
CC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)(C(=O)[O-])C1CC1	REAL300012770163	0	59	0.0	-83.82	425.49	11.09	-72.73
CC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)(C(=O)[O-])C1CC1	REAL300012770163	1	59	0.0	-83.13	425.06	11.06	-72.07
O=C([O-])C1(NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CCCCC1	REAL300012770164	0	62	0.0	-87.34	441.09	12.16	-75.18
O=C([O-])C1(NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CCCCC1	REAL300012770164	1	62	0.0	-87.68	443.00	12.13	-75.55
CC(C)N(CC(=O)[O-])C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770165	0	58	0.0	-67.08	419.54	12.04	-55.04
CC(C)N(CC(=O)[O-])C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770165	1	58	0.0	-66.89	420.31	12.09	-54.80
CCCN(CC(=O)[O-])C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770166	0	58	0.0	-66.55	431.30	12.56	-53.99
CCCN(CC(=O)[O-])C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770166	1	58	0.0	-66.55	431.20	12.52	-54.03
CCN(CC(=O)[O-])C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770167	0	55	0.0	-72.66	409.80	11.80	-60.86
CCN(CC(=O)[O-])C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770167	1	55	0.0	-73.22	409.42	11.77	-61.45
CC[C@H](C)[C@H](NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770168	0	61	0.0	-73.70	443.09	10.94	-62.76
CC[C@H](C)[C@H](NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770168	1	61	0.0	-82.69	442.70	10.92	-71.77
O=C([O-])C1(NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CCCC1	REAL300012770169	0	59	0.0	-75.80	432.56	10.61	-65.19
O=C([O-])C1(NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CCCC1	REAL300012770169	1	59	0.0	-78.43	433.53	10.61	-67.82
CCC(C)(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770170	0	58	0.0	-72.81	415.99	10.35	-62.46
CCC(C)(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770170	1	58	0.0	-73.52	415.62	10.32	-63.20
C[C@H](NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770171	0	52	0.0	-64.30	390.03	8.96	-55.34
C[C@H](NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770171	1	52	0.0	-65.67	391.48	8.92	-56.75
CCN(CC(=O)[O-])C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770172	0	55	0.0	-72.66	409.80	11.80	-60.86
CCN(CC(=O)[O-])C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770172	1	55	0.0	-73.22	409.42	11.77	-61.45
C[C@@H](NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770173	0	52	0.0	-68.23	396.99	8.44	-59.79
C[C@@H](NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770173	1	52	0.0	-65.02	396.73	8.46	-56.56
O=C([O-])C1(NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CC1	REAL300012770174	0	53	0.0	-81.78	397.70	10.12	-71.66
O=C([O-])C1(NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CC1	REAL300012770174	1	53	0.0	-85.24	401.74	9.68	-75.56
O=C([O-])C1COCCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770175	0	57	0.0	-85.51	414.26	10.46	-75.05
O=C([O-])C1COCCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770175	1	57	0.0	-83.32	417.90	9.95	-73.37
O=C([O-])C(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C1CC1	REAL300012770176	0	56	0.0	-71.70	421.59	9.96	-61.74
O=C([O-])C(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C1CC1	REAL300012770176	1	56	0.0	-73.55	415.71	10.43	-63.12
COCCN(CC(=O)[O-])C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770177	0	59	0.0	-67.03	441.18	11.32	-55.71
COCCN(CC(=O)[O-])C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770177	1	59	0.0	-66.54	441.08	10.94	-55.60
O=C([O-])[C@H]1CCCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770178	0	56	0.0	-79.62	418.35	10.98	-68.64
O=C([O-])[C@H]1CCCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770178	1	56	0.0	-82.38	412.48	11.46	-70.92
O=C([O-])[C@H]1CCCCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770179	0	59	0.0	-86.47	426.83	12.39	-74.08
O=C([O-])[C@H]1CCCCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770179	1	59	0.0	-88.01	421.53	12.88	-75.13
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770180	0	55	0.0	-70.32	403.91	10.90	-59.42
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770180	1	55	0.0	-69.21	402.52	11.02	-58.19
O=C([O-])[C@@H]1CCCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770181	0	56	0.0	-88.83	418.34	10.96	-77.87
O=C([O-])[C@@H]1CCCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770181	1	56	0.0	-89.93	411.75	11.49	-78.44
O=C([O-])C1(NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CCC1	REAL300012770182	0	56	0.0	-87.38	412.39	10.67	-76.71
O=C([O-])C1(NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CCC1	REAL300012770182	1	56	0.0	-77.54	418.71	10.19	-67.35
C=CCC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770183	0	56	0.0	-71.28	430.64	9.93	-61.35
C=CCC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770183	1	56	0.0	-80.83	424.57	10.46	-70.37
CC1(C(=O)[O-])CCCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770184	0	59	0.0	-79.45	427.72	12.42	-67.03
CC1(C(=O)[O-])CCCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770184	1	59	0.0	-89.95	427.65	12.39	-77.56
O=C([O-])C1CCCCCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770185	0	62	0.0	-85.83	436.04	13.46	-72.37
O=C([O-])C1CCCCCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770185	1	62	0.0	-80.61	443.83	13.39	-67.22
O=C([O-])C(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C1CC1	REAL300012770186	0	56	0.0	-71.70	421.59	9.96	-61.74
O=C([O-])C(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C1CC1	REAL300012770186	1	56	0.0	-73.55	415.71	10.43	-63.12
CC(C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770187	0	55	0.0	-75.40	407.45	10.54	-64.86
CC(C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770187	1	55	0.0	-76.62	403.99	10.89	-65.73
CCCCC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770188	0	61	0.0	-81.26	454.62	11.59	-69.67
CCCCC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770188	1	61	0.0	-81.35	453.94	11.52	-69.83
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770189	0	59	0.0	-90.25	429.48	12.37	-77.88
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770189	1	59	0.0	-77.83	433.25	11.93	-65.90
O=C([O-])CN(C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C1CCCC1	REAL300012770190	0	62	0.0	-65.44	449.48	12.82	-52.62
O=C([O-])CN(C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C1CCCC1	REAL300012770190	1	62	0.0	-66.43	443.84	13.30	-53.13
COCC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770191	0	56	0.0	-82.50	423.59	8.27	-74.23
COCC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770191	1	56	0.0	-82.93	423.63	8.19	-74.74
CN(C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C1(C(=O)[O-])CCCC1	REAL300012770192	0	62	0.0	-90.38	445.70	12.60	-77.78
CN(C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C1(C(=O)[O-])CCCC1	REAL300012770192	1	62	0.0	-89.83	440.35	12.47	-77.36
CC(C(=O)[O-])N(C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C1CC1	REAL300012770193	0	59	0.0	-64.36	429.30	12.57	-51.79
CC(C(=O)[O-])N(C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C1CC1	REAL300012770193	1	59	0.0	-68.93	428.04	12.39	-56.54
CCC(C(=O)[O-])N(C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C1CC1	REAL300012770194	0	62	0.0	-72.75	450.36	13.47	-59.28
CCC(C(=O)[O-])N(C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C1CC1	REAL300012770194	1	62	0.0	-65.71	454.09	12.95	-52.76
COCC(C)(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770195	0	59	0.0	-86.13	434.25	9.63	-76.50
COCC(C)(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770195	1	59	0.0	-86.49	433.86	9.61	-76.88
CC(C)CN(CC(=O)[O-])C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770196	0	61	0.0	-50.33	445.72	12.85	-37.48
CC(C)CN(CC(=O)[O-])C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770196	1	61	0.0	-49.30	446.30	12.78	-36.52
O=C([O-])CN(C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C1CC1	REAL300012770197	0	56	0.0	-84.10	417.21	12.14	-71.96
O=C([O-])CN(C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C1CC1	REAL300012770197	1	56	0.0	-74.64	415.54	12.18	-62.46
O=C([O-])C1(NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CCOC1	REAL300012770198	0	57	0.0	-81.36	419.12	8.39	-72.97
O=C([O-])C1(NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CCOC1	REAL300012770198	1	57	0.0	-74.31	419.08	8.39	-65.92
C=CCCC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770199	0	59	0.0	-81.17	445.93	11.37	-69.80
C=CCCC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770199	1	59	0.0	-81.13	446.09	11.27	-69.86
O=C([O-])C(CF)NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770200	0	52	0.0	-62.57	393.49	9.00	-53.57
O=C([O-])C(CF)NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770200	1	52	0.0	-63.68	393.88	8.93	-54.75
CC(C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770201	0	55	0.0	-75.40	407.45	10.54	-64.86
CC(C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770201	1	55	0.0	-76.62	403.99	10.89	-65.73
CCC(CC)(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770202	0	61	0.0	-72.75	437.90	10.73	-62.02
CCC(CC)(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770202	1	61	0.0	-83.81	432.27	11.21	-72.60
CCC(C)N(CC(=O)[O-])C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770203	0	61	0.0	-64.55	446.03	12.61	-51.94
CCC(C)N(CC(=O)[O-])C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770203	1	61	0.0	-48.35	443.30	13.17	-35.18
O=C([O-])C(CC1CC1)NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770204	0	59	0.0	-80.13	448.99	11.03	-69.10
O=C([O-])C(CC1CC1)NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770204	1	59	0.0	-72.88	443.66	11.45	-61.43
COCCC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770205	0	59	0.0	-81.55	445.30	9.11	-72.44
COCCC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770205	1	59	0.0	-82.05	445.45	9.01	-73.04
O=C([O-])C(CC(F)F)NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770206	0	55	0.0	-75.43	422.48	10.50	-64.93
O=C([O-])C(CC(F)F)NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770206	1	55	0.0	-75.75	422.39	10.47	-65.28
CCCN(C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(C)C(=O)[O-]	REAL300012770207	0	61	0.0	-67.54	441.64	12.64	-54.90
CCCN(C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(C)C(=O)[O-]	REAL300012770207	1	61	0.0	-74.23	445.00	13.20	-61.03
O=C([O-])C(CCF)NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770208	0	55	0.0	-80.01	418.21	10.19	-69.82
O=C([O-])C(CCF)NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770208	1	55	0.0	-80.49	418.37	10.09	-70.40
CC(CCF)(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770209	0	58	0.0	-78.62	422.59	10.49	-68.13
CC(CCF)(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770209	1	58	0.0	-70.44	422.22	10.46	-59.98
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770210	0	55	0.0	-69.35	408.45	10.48	-58.87
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770210	1	55	0.0	-76.87	401.57	11.02	-65.85
O=C([O-])C12CC(C1)CN2C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770211	0	57	0.0	-87.98	422.43	12.02	-75.96
O=C([O-])C12CC(C1)CN2C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770211	1	57	0.0	-92.06	419.58	12.46	-79.60
CC(C)(C)[C@H](NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770212	0	61	0.0	-74.48	449.30	10.61	-63.87
CC(C)(C)[C@H](NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770212	1	61	0.0	-81.26	447.74	10.61	-70.65
C=C(C)CC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770213	0	59	0.0	-72.24	448.93	10.78	-61.46
C=C(C)CC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770213	1	59	0.0	-74.05	444.92	11.26	-62.79
O=C([O-])C12CCC(CC1)N2C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770214	0	60	0.0	-91.80	430.46	13.31	-78.49
O=C([O-])C12CCC(CC1)N2C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770214	1	60	0.0	-96.04	432.61	13.31	-82.73
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770215	0	56	0.0	-78.35	424.92	11.06	-67.29
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770215	1	56	0.0	-87.73	417.95	11.59	-76.14
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300012770216	0	57	0.0	-80.61	431.48	11.45	-69.16
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300012770216	1	57	0.0	-90.20	424.36	11.94	-78.26
CC(C)C[C@H](NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770217	0	61	0.0	-72.71	456.38	10.86	-61.85
CC(C)C[C@H](NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770217	1	61	0.0	-81.10	456.43	10.80	-70.30
O=C([O-])C(CC1CC1)NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770218	0	59	0.0	-80.13	448.99	11.03	-69.10
O=C([O-])C(CC1CC1)NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770218	1	59	0.0	-72.88	443.66	11.45	-61.43
CSCC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770219	0	56	0.0	-77.89	435.56	10.32	-67.57
CSCC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770219	1	56	0.0	-77.96	435.25	10.36	-67.60
COC[C@H](NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770220	0	56	0.0	-74.33	430.37	7.74	-66.59
COC[C@H](NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770220	1	56	0.0	-82.23	430.42	7.73	-74.50
CC[C@H](NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770221	0	55	0.0	-73.48	418.50	9.49	-63.99
CC[C@H](NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770221	1	55	0.0	-73.07	412.64	9.94	-63.13
C=CCCCC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770222	0	62	0.0	-81.51	467.43	12.15	-69.36
C=CCCCC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770222	1	62	0.0	-81.03	467.58	12.05	-68.98
O=C([O-])[C@H]1CCCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770223	0	56	0.0	-79.62	418.35	10.98	-68.64
O=C([O-])[C@H]1CCCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770223	1	56	0.0	-82.38	412.48	11.46	-70.92
CCCC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770224	0	58	0.0	-81.46	433.36	10.74	-70.72
CCCC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770224	1	58	0.0	-72.70	432.75	10.78	-61.92
CC(C)[C@@H](NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770225	0	58	0.0	-81.64	435.55	10.08	-71.56
CC(C)[C@@H](NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770225	1	58	0.0	-73.80	430.67	9.80	-64.00
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770226	0	60	0.0	-94.11	433.55	13.42	-80.69
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770226	1	60	0.0	-91.22	434.30	13.42	-77.80
CCN(C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(C)(C)C(=O)[O-]	REAL300012770227	0	61	0.0	-85.74	443.17	12.22	-73.52
CCN(C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(C)(C)C(=O)[O-]	REAL300012770227	1	61	0.0	-76.91	436.45	12.72	-64.19
CCCN(C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(C)C(=O)[O-]	REAL300012770228	0	61	0.0	-67.54	441.64	12.64	-54.90
CCCN(C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(C)C(=O)[O-]	REAL300012770228	1	61	0.0	-74.23	445.00	13.20	-61.03
CN(C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(C)(C)C(=O)[O-]	REAL300012770229	0	58	0.0	-74.97	422.59	11.34	-63.63
CN(C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(C)(C)C(=O)[O-]	REAL300012770229	1	58	0.0	-76.30	418.42	11.84	-64.46
O=C([O-])[C@@H]1CCCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770230	0	56	0.0	-88.83	418.34	10.96	-77.87
O=C([O-])[C@@H]1CCCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770230	1	56	0.0	-89.93	411.75	11.49	-78.44
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770231	0	57	0.0	-92.58	422.68	8.23	-84.35
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770231	1	57	0.0	-90.25	428.13	7.70	-82.55
CCC[C@@H](NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770232	0	58	0.0	-70.96	438.62	10.31	-60.65
CCC[C@@H](NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770232	1	58	0.0	-73.19	432.99	10.73	-62.46
C=CCCC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770233	0	59	0.0	-81.17	445.93	11.37	-69.80
C=CCCC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770233	1	59	0.0	-81.13	446.09	11.27	-69.86
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770234	0	59	0.0	-89.62	427.97	12.45	-77.17
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770234	1	59	0.0	-80.19	427.39	12.40	-67.79
CC(C)[C@H](NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770235	0	58	0.0	-71.69	432.67	10.03	-61.66
CC(C)[C@H](NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770235	1	58	0.0	-74.34	426.17	10.24	-64.10
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770236	0	55	0.0	-69.35	408.45	10.48	-58.87
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770236	1	55	0.0	-76.87	401.57	11.02	-65.85
CCC[C@H](NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770237	0	58	0.0	-72.44	439.17	10.27	-62.17
CCC[C@H](NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770237	1	58	0.0	-81.03	440.06	10.26	-70.77
CCN(C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(C)C(=O)[O-]	REAL300012770238	0	58	0.0	-78.92	420.64	11.90	-67.02
CCN(C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(C)C(=O)[O-]	REAL300012770238	1	58	0.0	-69.52	419.48	11.79	-57.73
O=C([O-])CN(C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C1CCCC1	REAL300012770239	0	62	0.0	-65.44	449.48	12.82	-52.62
O=C([O-])CN(C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C1CCCC1	REAL300012770239	1	62	0.0	-66.43	443.84	13.30	-53.13
CC(CN(C)C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770240	0	58	0.0	-80.36	423.45	11.51	-68.85
CC(CN(C)C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770240	1	58	0.0	-78.63	422.44	11.45	-67.18
CC[C@H](C)[C@H](NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770241	0	61	0.0	-73.70	443.09	10.94	-62.76
CC[C@H](C)[C@H](NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770241	1	61	0.0	-82.69	442.70	10.92	-71.77
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770242	0	58	0.0	-78.80	423.81	11.93	-66.87
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770242	1	58	0.0	-77.99	421.92	11.94	-66.05
CC1CCC(NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)(C(=O)[O-])C1	REAL300012770243	0	62	0.0	-77.90	448.62	11.65	-66.25
CC1CCC(NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)(C(=O)[O-])C1	REAL300012770243	1	62	0.0	-77.91	453.62	11.23	-66.68
COCCC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770244	0	59	0.0	-81.55	445.30	9.11	-72.44
COCCC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770244	1	59	0.0	-82.05	445.45	9.01	-73.04
CC1(C)CC(NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)(C(=O)[O-])C1	REAL300012770245	0	62	0.0	-88.51	449.07	12.37	-76.14
CC1(C)CC(NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)(C(=O)[O-])C1	REAL300012770245	1	62	0.0	-86.33	454.98	11.90	-74.43
CC1(C(NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C(=O)[O-])CC1	REAL300012770246	0	59	0.0	-75.13	435.46	11.34	-63.79
CC1(C(NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C(=O)[O-])CC1	REAL300012770246	1	59	0.0	-82.65	440.14	11.11	-71.54
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770247	0	57	0.0	-96.18	421.42	8.37	-87.81
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770247	1	57	0.0	-85.58	421.33	8.38	-77.20
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770248	0	60	0.0	-85.71	433.12	13.04	-72.67
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770248	1	60	0.0	-83.58	438.31	12.52	-71.06
O=C([O-])C12COC(CN1C(=O)NC1CCCC3C[N@H+](CC4=CC=CC=C4)CC31)C2	REAL300012770249	0	58	0.0	-84.64	430.42	10.27	-74.37
O=C([O-])C12COC(CN1C(=O)NC1CCCC3C[N@@H+](CC4=CC=CC=C4)CC31)C2	REAL300012770249	1	58	0.0	-87.21	424.80	10.64	-76.57
CC1CCC(C(=O)[O-])N(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300012770250	0	62	0.0	-89.68	439.03	13.76	-75.92
CC1CCC(C(=O)[O-])N(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300012770250	1	62	0.0	-87.91	448.22	12.97	-74.94
O=C([O-])C(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C1CCC1	REAL300012770251	0	59	0.0	-73.58	438.78	11.04	-62.54
O=C([O-])C(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C1CCC1	REAL300012770251	1	59	0.0	-74.27	431.91	10.84	-63.43
O=C([O-])C(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C1CCC1	REAL300012770252	0	59	0.0	-73.58	438.78	11.04	-62.54
O=C([O-])C(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C1CCC1	REAL300012770252	1	59	0.0	-74.27	431.91	10.84	-63.43
CC1CCN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1C(=O)[O-]	REAL300012770253	0	59	0.0	-82.36	433.51	12.12	-70.24
CC1CCN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1C(=O)[O-]	REAL300012770253	1	59	0.0	-88.40	432.22	11.52	-76.88
C=CCC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770254	0	56	0.0	-71.28	430.64	9.93	-61.35
C=CCC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770254	1	56	0.0	-80.83	424.57	10.46	-70.37
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770255	0	60	0.0	-47.92	433.49	12.82	-35.10
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770255	1	60	0.0	-62.91	432.11	12.79	-50.12
CCC1(C(=O)[O-])CCCN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770256	0	62	0.0	-89.28	447.00	12.83	-76.45
CCC1(C(=O)[O-])CCCN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770256	1	62	0.0	-79.99	441.18	13.32	-66.67
O=C([O-])C1(NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)COC1	REAL300012770257	0	54	0.0	-73.89	405.35	7.69	-66.20
O=C([O-])C1(NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)COC1	REAL300012770257	1	54	0.0	-78.24	409.24	7.20	-71.04
CC(C)C(C)(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770258	0	61	0.0	-82.74	430.93	10.95	-71.79
CC(C)C(C)(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770258	1	61	0.0	-83.06	430.55	10.94	-72.12
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770259	0	57	0.0	-89.52	419.47	13.05	-76.47
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770259	1	57	0.0	-91.13	417.89	13.03	-78.10
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770260	0	60	0.0	-90.79	440.57	12.17	-78.62
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770260	1	60	0.0	-89.36	439.65	12.15	-77.21
CCC(C(=O)[O-])N(CC)C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770261	0	61	0.0	-68.74	442.09	12.28	-56.46
CCC(C(=O)[O-])N(CC)C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770261	1	61	0.0	-76.11	438.94	13.40	-62.71
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770262	0	56	0.0	-78.35	424.92	11.06	-67.29
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770262	1	56	0.0	-87.73	417.95	11.59	-76.14
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770263	0	58	0.0	-63.32	426.61	12.62	-50.70
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770263	1	58	0.0	-47.44	432.35	12.13	-35.31
CC1(C)CCN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1C(=O)[O-]	REAL300012770264	0	62	0.0	-91.90	454.92	11.94	-79.96
CC1(C)CCN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1C(=O)[O-]	REAL300012770264	1	62	0.0	-79.84	451.10	12.29	-67.55
O=C([O-])C1(NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CCC2CC21	REAL300012770265	0	60	0.0	-76.76	435.52	11.69	-65.07
O=C([O-])C1(NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CCC2CC21	REAL300012770265	1	60	0.0	-89.24	434.59	11.86	-77.38
O=C([O-])C(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C1CCCC1	REAL300012770266	0	62	0.0	-73.95	448.36	11.46	-62.49
O=C([O-])C(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C1CCCC1	REAL300012770266	1	62	0.0	-82.05	451.08	11.60	-70.45
CO[C@H](C)[C@H](NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770267	0	59	0.0	-81.02	446.88	8.72	-72.30
CO[C@H](C)[C@H](NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770267	1	59	0.0	-73.73	442.99	9.17	-64.56
CC1[C@@H](C)[C@@]1(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770268	0	59	0.0	-83.19	431.51	10.71	-72.48
CC1[C@@H](C)[C@@]1(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770268	1	59	0.0	-79.73	432.69	10.70	-69.03
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300012770269	0	62	0.0	-46.11	456.15	12.18	-33.93
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300012770269	1	62	0.0	-61.54	457.93	12.13	-49.41
CCCC(C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770270	0	61	0.0	-76.51	449.25	12.39	-64.12
CCCC(C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770270	1	61	0.0	-77.69	445.94	12.74	-64.95
CCOCC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770271	0	59	0.0	-73.86	445.58	9.20	-64.66
CCOCC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770271	1	59	0.0	-73.95	445.06	9.22	-64.73
N#CCCC(NC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770272	0	56	0.0	-83.30	432.72	10.48	-72.82
N#CCCC(NC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300012770272	1	56	0.0	-83.16	431.79	10.47	-72.69
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300012770273	0	55	0.0	-70.32	403.91	10.90	-59.42
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300012770273	1	55	0.0	-69.21	402.52	11.02	-58.19
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=NC(C(C)(C)C)=NO1	REAL300012772157	0	60	0.0	-62.07	464.80	5.40	-56.67
COCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300012772462	0	57	0.0	-59.93	440.94	7.33	-52.60
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2CCCC3=CC=C(F)C=C32)CC1	REAL300012773204	0	57	0.0	-64.73	424.56	8.51	-56.22
CC1=CC(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1F	REAL300012773872	0	56	0.0	-62.16	435.41	8.95	-53.21
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCOC1	REAL300012774144	0	60	0.0	-62.04	432.48	6.76	-55.28
C[C@@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=N1	REAL300012775075	0	52	0.0	-66.76	405.05	6.67	-60.09
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2CCOC3=C(F)C=CC=C32)CC1	REAL300012775939	0	55	0.0	-60.64	415.54	6.68	-53.96
CC(C)C[C@H](NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776069	1	48	0.0	-74.27	365.10	4.92	-69.35
CC(C)C[C@H](NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776069	1	48	0.0	-78.80	364.53	4.87	-73.93
C=CCOCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776070	1	47	0.0	-81.37	373.12	3.39	-77.98
C=CCOCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776070	1	47	0.0	-81.07	374.45	3.80	-77.27
CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C1C[N@H+](C)CCO1	REAL300012776071	1	50	0.0	-78.85	374.72	3.62	-75.23
CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C1C[N@@H+](C)CCO1	REAL300012776071	1	50	0.0	-71.04	377.86	4.05	-66.99
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1C[N@H+](C)CCO1	REAL300012776072	1	46	0.0	-69.04	369.40	5.78	-63.26
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1C[N@@H+](C)CCO1	REAL300012776072	1	46	0.0	-68.30	376.48	6.28	-62.02
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1C[N@H+](C)CCO1	REAL300012776073	1	46	0.0	-68.16	378.69	6.26	-61.90
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1C[N@@H+](C)CCO1	REAL300012776073	1	46	0.0	-67.98	386.36	6.73	-61.25
COC1CCN(C(=O)NC(C)C2C[N@H+](C)CCO2)C(C(=O)[O-])C1	REAL300012776074	1	50	0.0	-87.10	360.20	5.43	-81.67
COC1CCN(C(=O)NC(C)C2C[N@@H+](C)CCO2)C(C(=O)[O-])C1	REAL300012776074	1	50	0.0	-86.48	361.84	5.28	-81.20
CC(NC(=O)NC(C(=O)[O-])C1CCCOC1)C1C[N@H+](C)CCO1	REAL300012776075	1	50	0.0	-76.86	375.46	4.04	-72.82
CC(NC(=O)NC(C(=O)[O-])C1CCCOC1)C1C[N@@H+](C)CCO1	REAL300012776075	1	50	0.0	-68.15	375.89	4.10	-64.05
CC(NC(=O)N1CCC(C)CC1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776076	1	49	0.0	-86.88	343.68	6.67	-80.21
CC(NC(=O)N1CCC(C)CC1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776076	1	49	0.0	-86.16	350.27	6.89	-79.27
CC1=CC(C(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])=CC=C1F	REAL300012776077	1	49	0.0	-75.67	383.23	6.43	-69.24
CC1=CC(C(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])=CC=C1F	REAL300012776077	1	49	0.0	-75.32	390.49	6.86	-68.46
CC(NC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1C[N@H+](C)CCO1	REAL300012776078	1	51	0.0	-80.05	398.73	5.47	-74.58
CC(NC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1C[N@@H+](C)CCO1	REAL300012776078	1	51	0.0	-78.54	399.68	6.00	-72.54
CC1=CC(C(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])=CC(C)=C1	REAL300012776079	1	52	0.0	-80.92	405.65	6.95	-73.97
CC1=CC(C(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])=CC(C)=C1	REAL300012776079	1	52	0.0	-72.18	406.56	7.48	-64.70
CC1=CC=C(C(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1C	REAL300012776080	1	52	0.0	-79.76	394.90	6.94	-72.82
CC1=CC=C(C(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1C	REAL300012776080	1	52	0.0	-72.14	402.16	7.36	-64.78
COC1=CC=C(C(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1Cl	REAL300012776081	1	50	0.0	-72.30	402.22	5.51	-66.79
COC1=CC=C(C(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1Cl	REAL300012776081	1	50	0.0	-71.91	409.54	5.93	-65.98
CC1=CC=CC(C(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])=C1C	REAL300012776082	1	52	0.0	-83.40	396.81	6.56	-76.84
CC1=CC=CC(C(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])=C1C	REAL300012776082	1	52	0.0	-83.08	398.13	7.09	-75.99
COC1=CC=C(C(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1F	REAL300012776083	1	50	0.0	-73.15	392.42	5.02	-68.13
COC1=CC=C(C(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1F	REAL300012776083	1	50	0.0	-72.75	399.73	5.45	-67.30
CC(NC(=O)N(C(C)C(=O)[O-])C1CCC1)C1C[N@H+](C)CCO1	REAL300012776084	1	49	0.0	-71.68	360.43	7.10	-64.58
CC(NC(=O)N(C(C)C(=O)[O-])C1CCC1)C1C[N@@H+](C)CCO1	REAL300012776084	1	49	0.0	-56.29	359.50	6.85	-49.44
CCCN(C(=O)NC(C)C1C[N@H+](C)CCO1)C(COC)C(=O)[O-]	REAL300012776085	1	52	0.0	-77.96	383.88	5.72	-72.24
CCCN(C(=O)NC(C)C1C[N@@H+](C)CCO1)C(COC)C(=O)[O-]	REAL300012776085	1	52	0.0	-76.90	388.01	7.12	-69.78
CCCN(C(=O)NC(C)C1C[N@H+](C)CCO1)C(CC)C(=O)[O-]	REAL300012776086	1	51	0.0	-76.25	371.59	6.98	-69.27
CCCN(C(=O)NC(C)C1C[N@@H+](C)CCO1)C(CC)C(=O)[O-]	REAL300012776086	1	51	0.0	-74.40	374.06	7.73	-66.67
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1C[N@H+](C)CCO1	REAL300012776087	1	46	0.0	-76.06	379.33	6.23	-69.83
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1C[N@@H+](C)CCO1	REAL300012776087	1	46	0.0	-75.14	380.74	6.60	-68.54
CC(NC(=O)N1CCSCC1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776088	1	44	0.0	-82.90	329.66	6.24	-76.66
CC(NC(=O)N1CCSCC1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776088	1	44	0.0	-81.62	337.43	6.90	-74.72
CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C1C[N@H+](C)CCO1	REAL300012776089	1	49	0.0	-82.55	356.19	5.76	-76.79
CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C1C[N@@H+](C)CCO1	REAL300012776089	1	49	0.0	-83.21	348.93	5.34	-77.87
CC(NC(=O)NC1(C(=O)[O-])CCCCCC1)C1C[N@H+](C)CCO1	REAL300012776090	1	52	0.0	-85.54	355.70	6.43	-79.11
CC(NC(=O)NC1(C(=O)[O-])CCCCCC1)C1C[N@@H+](C)CCO1	REAL300012776090	1	52	0.0	-83.79	354.56	6.00	-77.79
CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776091	1	49	0.0	-80.20	384.77	6.63	-73.57
CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776091	1	49	0.0	-71.00	385.96	7.08	-63.92
CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1C[N@H+](C)CCO1	REAL300012776092	1	49	0.0	-51.59	379.26	8.53	-43.06
CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1C[N@@H+](C)CCO1	REAL300012776092	1	49	0.0	-68.69	383.59	8.37	-60.32
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1C[N@H+](C)CCO1	REAL300012776093	1	46	0.0	-71.95	364.55	6.07	-65.88
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1C[N@@H+](C)CCO1	REAL300012776093	1	46	0.0	-78.57	363.77	6.16	-72.41
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1C[N@H+](C)CCO1	REAL300012776094	1	46	0.0	-76.46	362.77	5.63	-70.83
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1C[N@@H+](C)CCO1	REAL300012776094	1	46	0.0	-78.85	363.99	6.07	-72.78
CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776095	1	49	0.0	-80.20	384.77	6.63	-73.57
CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776095	1	49	0.0	-71.00	385.96	7.08	-63.92
CCC(C)C(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776096	1	48	0.0	-79.21	356.58	4.58	-74.63
CCC(C)C(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776096	1	48	0.0	-70.72	362.82	5.22	-65.50
CCCC(C)(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776097	1	48	0.0	-78.65	352.27	4.67	-73.98
CCCC(C)(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776097	1	48	0.0	-69.86	353.47	5.13	-64.73
CC(C)CN(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](C)CCO1	REAL300012776098	1	48	0.0	-51.01	363.32	6.83	-44.18
CC(C)CN(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](C)CCO1	REAL300012776098	1	48	0.0	-52.72	363.05	6.99	-45.73
CC(NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776099	1	50	0.0	-85.30	374.30	8.59	-76.71
CC(NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776099	1	50	0.0	-88.11	376.41	9.36	-78.75
CC(NC(=O)NC(C(=O)[O-])C1=CC=CS1)C1C[N@H+](C)CCO1	REAL300012776100	1	43	0.0	-74.01	353.82	4.74	-69.27
CC(NC(=O)NC(C(=O)[O-])C1=CC=CS1)C1C[N@@H+](C)CCO1	REAL300012776100	1	43	0.0	-69.03	355.00	5.19	-63.84
CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C1C[N@H+](C)CCO1	REAL300012776101	1	49	0.0	-82.55	356.19	5.76	-76.79
CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C1C[N@@H+](C)CCO1	REAL300012776101	1	49	0.0	-83.21	348.93	5.34	-77.87
CC(NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C1C[N@H+](C)CCO1	REAL300012776102	1	49	0.0	-60.35	400.31	8.89	-51.46
CC(NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C1C[N@@H+](C)CCO1	REAL300012776102	1	49	0.0	-62.72	395.42	9.05	-53.67
CC(NC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776103	1	53	0.0	-72.20	407.22	6.70	-65.50
CC(NC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776103	1	53	0.0	-81.97	414.17	6.62	-75.35
CC[C@H](C)[C@H](NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776104	1	48	0.0	-74.66	357.16	4.55	-70.11
CC[C@H](C)[C@H](NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776104	1	48	0.0	-69.91	358.35	5.01	-64.90
COC1=CC(CN(CC(=O)[O-])C(=O)NC(C)C2C[N@H+](C)CCO2)=CC(OC)=C1	REAL300012776105	1	57	0.0	-71.89	435.32	6.55	-65.34
COC1=CC(CN(CC(=O)[O-])C(=O)NC(C)C2C[N@@H+](C)CCO2)=CC(OC)=C1	REAL300012776105	1	57	0.0	-68.34	443.71	7.43	-60.91
CC(NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1C[N@H+](C)CCO1	REAL300012776106	1	49	0.0	-60.55	389.99	8.43	-52.12
CC(NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1C[N@@H+](C)CCO1	REAL300012776106	1	49	0.0	-63.40	385.10	8.60	-54.80
CC(NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1C[N@H+](C)CCO1	REAL300012776107	1	50	0.0	-73.87	384.06	7.31	-66.56
CC(NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1C[N@@H+](C)CCO1	REAL300012776107	1	50	0.0	-82.33	382.40	6.94	-75.39
CC(NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1C[N@H+](C)CCO1	REAL300012776108	1	46	0.0	-76.59	373.61	5.77	-70.82
CC(NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1C[N@@H+](C)CCO1	REAL300012776108	1	46	0.0	-71.21	374.56	6.29	-64.92
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1C[N@H+](C)CCO1	REAL300012776109	1	49	0.0	-76.35	370.60	6.40	-69.95
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1C[N@@H+](C)CCO1	REAL300012776109	1	49	0.0	-72.46	371.78	6.86	-65.60
CCCCCCC(C)(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776110	1	57	0.0	-78.78	416.77	7.00	-71.78
CCCCCCC(C)(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776110	1	57	0.0	-70.06	417.97	7.46	-62.60
CC(NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776111	1	52	0.0	-81.18	397.38	8.98	-72.20
CC(NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776111	1	52	0.0	-78.92	395.59	8.68	-70.24
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1C[N@H+](C)CCO1	REAL300012776112	1	46	0.0	-76.06	379.33	6.23	-69.83
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1C[N@@H+](C)CCO1	REAL300012776112	1	46	0.0	-75.14	380.74	6.60	-68.54
CC(NC(=O)N1CCOCC1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776113	1	44	0.0	-82.40	320.16	3.64	-78.76
CC(NC(=O)N1CCOCC1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776113	1	44	0.0	-82.21	328.94	4.50	-77.71
CC(NC(=O)N(C)C1(C(=O)[O-])CCCCC1)C1C[N@H+](C)CCO1	REAL300012776114	1	52	0.0	-79.22	358.19	6.64	-72.58
CC(NC(=O)N(C)C1(C(=O)[O-])CCCCC1)C1C[N@@H+](C)CCO1	REAL300012776114	1	52	0.0	-74.43	366.61	7.52	-66.91
CC(NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776115	1	52	0.0	-53.08	402.50	9.38	-43.70
CC(NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776115	1	52	0.0	-67.36	407.17	9.59	-57.77
CC(NC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)C1C[N@H+](C)CCO1	REAL300012776116	1	49	0.0	-84.24	374.95	7.61	-76.63
CC(NC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)C1C[N@@H+](C)CCO1	REAL300012776116	1	49	0.0	-83.66	371.42	7.59	-76.07
COCCN(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](C)CCO1	REAL300012776117	1	46	0.0	-52.79	349.52	5.75	-47.04
COCCN(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](C)CCO1	REAL300012776117	1	46	0.0	-67.19	357.15	5.33	-61.86
CC(NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1C[N@H+](C)CCO1	REAL300012776118	1	50	0.0	-84.19	379.25	7.12	-77.07
CC(NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1C[N@@H+](C)CCO1	REAL300012776118	1	50	0.0	-84.21	378.54	7.13	-77.08
CC(NC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776119	1	53	0.0	-86.68	418.72	6.57	-80.11
CC(NC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776119	1	53	0.0	-81.92	418.74	6.57	-75.35
CC(NC(=O)N1CCCCCC1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776120	1	49	0.0	-86.66	343.37	7.01	-79.65
CC(NC(=O)N1CCCCCC1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776120	1	49	0.0	-79.64	344.00	7.00	-72.64
CCCCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776121	1	48	0.0	-78.47	369.40	5.16	-73.31
CCCCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776121	1	48	0.0	-69.76	370.83	5.55	-64.21
CC(NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776122	1	52	0.0	-53.08	402.50	9.38	-43.70
CC(NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776122	1	52	0.0	-67.36	407.17	9.59	-57.77
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1C[N@H+](C)CCO1	REAL300012776123	1	49	0.0	-61.46	360.92	6.92	-54.54
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1C[N@@H+](C)CCO1	REAL300012776123	1	49	0.0	-66.41	355.46	6.95	-59.46
CCCCCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776124	1	51	0.0	-78.45	390.89	5.94	-72.51
CCCCCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776124	1	51	0.0	-68.86	391.50	6.35	-62.51
CCC1CCC(NC(=O)NC(C)C2C[N@H+](C)CCO2)(C(=O)[O-])CC1	REAL300012776125	1	55	0.0	-79.26	382.83	6.32	-72.94
CCC1CCC(NC(=O)NC(C)C2C[N@@H+](C)CCO2)(C(=O)[O-])CC1	REAL300012776125	1	55	0.0	-83.84	396.42	7.46	-76.38
CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C1C[N@H+](C)CCO1	REAL300012776126	1	50	0.0	-61.91	369.41	5.25	-56.66
CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C1C[N@@H+](C)CCO1	REAL300012776126	1	50	0.0	-51.84	370.58	5.71	-46.13
CC(NC(=O)N(C)C1(C(=O)[O-])CCCC1)C1C[N@H+](C)CCO1	REAL300012776127	1	49	0.0	-86.52	353.90	6.77	-79.75
CC(NC(=O)N(C)C1(C(=O)[O-])CCCC1)C1C[N@@H+](C)CCO1	REAL300012776127	1	49	0.0	-87.09	346.73	6.40	-80.69
CCC(C(=O)[O-])N(C(=O)NC(C)C1C[N@H+](C)CCO1)C1CC1	REAL300012776128	1	49	0.0	-67.03	358.36	7.26	-59.77
CCC(C(=O)[O-])N(C(=O)NC(C)C1C[N@@H+](C)CCO1)C1CC1	REAL300012776128	1	49	0.0	-56.83	364.59	7.46	-49.37
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1C[N@H+](C)CCO1	REAL300012776129	1	46	0.0	-77.10	372.99	6.05	-71.05
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1C[N@@H+](C)CCO1	REAL300012776129	1	46	0.0	-79.96	375.47	6.57	-73.39
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1C[N@H+](C)CCO1	REAL300012776130	1	46	0.0	-80.74	366.44	5.73	-75.01
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1C[N@@H+](C)CCO1	REAL300012776130	1	46	0.0	-83.80	368.21	6.22	-77.58
CC(NC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776131	1	50	0.0	-67.39	378.07	7.92	-59.47
CC(NC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776131	1	50	0.0	-56.01	379.44	8.39	-47.62
CC(NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776132	1	49	0.0	-78.59	400.09	6.86	-71.73
CC(NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776132	1	49	0.0	-67.71	396.60	7.07	-60.64
CC(NC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776133	1	55	0.0	-74.90	430.48	9.07	-65.83
CC(NC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776133	1	55	0.0	-74.06	429.64	9.08	-64.98
CC(NC(=O)NC(CC1CCCCC1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776134	1	55	0.0	-79.40	406.73	6.82	-72.58
CC(NC(=O)NC(CC1CCCCC1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776134	1	55	0.0	-70.31	408.22	7.20	-63.11
CC(NC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)C1C[N@H+](C)CCO1	REAL300012776135	1	52	0.0	-68.69	395.38	9.26	-59.43
CC(NC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)C1C[N@@H+](C)CCO1	REAL300012776135	1	52	0.0	-68.05	396.50	9.55	-58.50
CC1=CC=C(C(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1	REAL300012776136	1	49	0.0	-78.81	385.94	6.74	-72.07
CC1=CC=C(C(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1	REAL300012776136	1	49	0.0	-76.56	384.26	6.31	-70.25
CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776137	1	42	0.0	-69.63	342.58	4.26	-65.37
CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776137	1	42	0.0	-71.72	343.77	4.69	-67.03
CC(NC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1C[N@H+](C)CCO1	REAL300012776138	1	52	0.0	-73.88	402.71	7.94	-65.94
CC(NC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1C[N@@H+](C)CCO1	REAL300012776138	1	52	0.0	-73.56	409.94	8.35	-65.21
CC(NC(=O)NC1(C(=O)[O-])CCSCC1)C1C[N@H+](C)CCO1	REAL300012776139	1	47	0.0	-74.25	346.62	5.03	-69.22
CC(NC(=O)NC1(C(=O)[O-])CCSCC1)C1C[N@@H+](C)CCO1	REAL300012776139	1	47	0.0	-79.04	346.64	4.99	-74.05
COCC(C)(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776140	1	46	0.0	-82.59	349.04	3.20	-79.39
COCC(C)(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776140	1	46	0.0	-74.09	350.22	3.66	-70.43
CCOCC(C(=O)[O-])N(C)C(=O)NC(C)C1C[N@H+](C)CCO1	REAL300012776141	1	49	0.0	-75.12	370.78	5.32	-69.80
CCOCC(C(=O)[O-])N(C)C(=O)NC(C)C1C[N@@H+](C)CCO1	REAL300012776141	1	49	0.0	-75.90	362.94	5.07	-70.83
CC(C)CN(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](C)CCO1	REAL300012776142	1	48	0.0	-51.01	363.32	6.83	-44.18
CC(C)CN(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](C)CCO1	REAL300012776142	1	48	0.0	-52.72	363.05	6.99	-45.73
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](C)CCO1	REAL300012776143	1	55	0.0	-59.37	411.12	9.40	-49.97
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](C)CCO1	REAL300012776143	1	55	0.0	-62.30	404.93	9.35	-52.95
CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776144	1	45	0.0	-49.45	360.74	6.74	-42.71
CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776144	1	45	0.0	-66.83	365.39	6.95	-59.88
CC(NC(=O)NC1(C(=O)[O-])CCOC1)C1C[N@H+](C)CCO1	REAL300012776145	1	44	0.0	-70.37	334.01	2.52	-67.85
CC(NC(=O)NC1(C(=O)[O-])CCOC1)C1C[N@@H+](C)CCO1	REAL300012776145	1	44	0.0	-77.81	332.44	2.04	-75.77
CC(NC(=O)NC(C(=O)[O-])C1CCCCC1)C1C[N@H+](C)CCO1	REAL300012776146	1	52	0.0	-80.47	379.72	5.83	-74.64
CC(NC(=O)NC(C(=O)[O-])C1CCCCC1)C1C[N@@H+](C)CCO1	REAL300012776146	1	52	0.0	-80.41	380.91	6.29	-74.12
CC(NC(=O)N(C)C(COC1CCC1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776147	1	53	0.0	-67.73	398.04	6.83	-60.90
CC(NC(=O)N(C)C(COC1CCC1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776147	1	53	0.0	-72.86	396.32	6.38	-66.48
CC(NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1C[N@H+](C)CCO1	REAL300012776148	1	53	0.0	-87.21	403.19	10.00	-77.21
CC(NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1C[N@@H+](C)CCO1	REAL300012776148	1	53	0.0	-86.17	402.27	9.53	-76.64
CC(NC(=O)NC1(C(=O)[O-])CCOCC1)C1C[N@H+](C)CCO1	REAL300012776149	1	47	0.0	-77.11	340.36	2.84	-74.27
CC(NC(=O)NC1(C(=O)[O-])CCOCC1)C1C[N@@H+](C)CCO1	REAL300012776149	1	47	0.0	-82.26	340.35	2.85	-79.41
CC(NC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776150	1	52	0.0	-62.79	392.87	9.37	-53.42
CC(NC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776150	1	52	0.0	-43.14	381.80	9.10	-34.04
CCC(CC)(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776151	1	48	0.0	-70.42	348.92	5.25	-65.17
CCC(CC)(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776151	1	48	0.0	-80.27	348.34	5.26	-75.01
COC1=CC=C(C(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1	REAL300012776152	1	50	0.0	-77.67	393.84	5.44	-72.23
COC1=CC=C(C(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1	REAL300012776152	1	50	0.0	-78.22	393.27	5.46	-72.76
CCC(C)N(CC(=O)[O-])C(=O)NC(C)C1C[N@H+](C)CCO1	REAL300012776153	1	48	0.0	-67.09	357.84	6.81	-60.28
CCC(C)N(CC(=O)[O-])C(=O)NC(C)C1C[N@@H+](C)CCO1	REAL300012776153	1	48	0.0	-49.62	359.07	7.26	-42.36
CCC(COC)(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776154	1	49	0.0	-79.04	365.70	4.10	-74.94
CCC(COC)(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776154	1	49	0.0	-75.12	366.89	4.56	-70.56
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC(C)C1C[N@H+](C)CCO1	REAL300012776155	1	52	0.0	-75.88	391.05	6.07	-69.81
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC(C)C1C[N@@H+](C)CCO1	REAL300012776155	1	52	0.0	-76.73	383.03	5.73	-71.00
CC(NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1C[N@H+](C)CCO1	REAL300012776156	1	49	0.0	-78.78	365.49	1.33	-77.45
CC(NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1C[N@@H+](C)CCO1	REAL300012776156	1	49	0.0	-83.96	373.89	2.23	-81.73
COCCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776157	1	46	0.0	-74.45	360.33	2.61	-71.84
COCCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776157	1	46	0.0	-69.00	360.67	3.09	-65.91
CC(C)CC(C(=O)[O-])N(C)C(=O)NC(C)C1C[N@H+](C)CCO1	REAL300012776158	1	51	0.0	-77.04	377.63	7.43	-69.61
CC(C)CC(C(=O)[O-])N(C)C(=O)NC(C)C1C[N@@H+](C)CCO1	REAL300012776158	1	51	0.0	-76.44	377.33	7.08	-69.36
CC(NC(=O)NC(CC(F)F)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776159	1	42	0.0	-73.65	339.01	3.84	-69.81
CC(NC(=O)NC(CC(F)F)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776159	1	42	0.0	-69.61	340.18	4.29	-65.32
CCCC1(C(=O)[O-])CCCN1C(=O)NC(C)C1C[N@H+](C)CCO1	REAL300012776160	1	52	0.0	-76.51	373.77	7.94	-68.57
CCCC1(C(=O)[O-])CCCN1C(=O)NC(C)C1C[N@@H+](C)CCO1	REAL300012776160	1	52	0.0	-86.01	377.74	7.66	-78.35
CCCN(C(=O)NC(C)C1C[N@H+](C)CCO1)C(C)C(=O)[O-]	REAL300012776161	1	48	0.0	-56.40	356.79	6.93	-49.47
CCCN(C(=O)NC(C)C1C[N@@H+](C)CCO1)C(C)C(=O)[O-]	REAL300012776161	1	48	0.0	-73.54	360.40	7.37	-66.17
CC(NC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776162	1	52	0.0	-58.28	392.75	9.35	-48.93
CC(NC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776162	1	52	0.0	-42.81	390.51	9.53	-33.28
CCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012776163	1	52	0.0	-73.56	404.25	7.78	-65.78
CCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012776163	1	52	0.0	-73.52	404.33	7.81	-65.71
CCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012776164	1	52	0.0	-81.32	387.57	7.30	-74.02
CCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012776164	1	52	0.0	-72.99	388.69	7.72	-65.27
COC1CCCC(C(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])C1	REAL300012776165	1	56	0.0	-77.60	415.70	5.15	-72.45
COC1CCCC(C(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])C1	REAL300012776165	1	56	0.0	-70.77	414.96	5.64	-65.13
COC1(CC(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])CCC1	REAL300012776166	1	53	0.0	-75.48	397.68	4.89	-70.59
COC1(CC(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])CCC1	REAL300012776166	1	53	0.0	-80.17	397.22	5.48	-74.69
CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C1C[N@H+](C)CCO1	REAL300012776167	1	50	0.0	-61.91	369.41	5.25	-56.66
CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C1C[N@@H+](C)CCO1	REAL300012776167	1	50	0.0	-51.84	370.58	5.71	-46.13
CC(NC(=O)N(CC(=O)[O-])C1CCCCC1)C1C[N@H+](C)CCO1	REAL300012776168	1	52	0.0	-68.54	378.32	7.63	-60.91
CC(NC(=O)N(CC(=O)[O-])C1CCCCC1)C1C[N@@H+](C)CCO1	REAL300012776168	1	52	0.0	-66.77	372.85	7.65	-59.12
CC(NC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)C1C[N@H+](C)CCO1	REAL300012776169	1	52	0.0	-78.08	362.73	5.72	-72.36
CC(NC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)C1C[N@@H+](C)CCO1	REAL300012776169	1	52	0.0	-84.27	364.49	6.16	-78.11
COC1=CC=CC(C(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])=C1	REAL300012776170	1	50	0.0	-81.97	392.06	4.99	-76.98
COC1=CC=CC(C(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])=C1	REAL300012776170	1	50	0.0	-80.97	393.47	5.36	-75.61
CC(NC(=O)NC(C)(CCF)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776171	1	45	0.0	-75.34	337.36	4.05	-71.29
CC(NC(=O)NC(C)(CCF)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776171	1	45	0.0	-66.68	338.56	4.51	-62.17
CC(NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776172	1	47	0.0	-67.75	359.53	6.10	-61.65
CC(NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776172	1	47	0.0	-68.84	360.76	6.56	-62.28
CC(NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776173	1	43	0.0	-78.65	340.63	5.22	-73.43
CC(NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776173	1	43	0.0	-78.02	340.39	5.72	-72.30
COC1=CC=CC([C@H](NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])=C1	REAL300012776174	1	50	0.0	-78.79	392.28	4.91	-73.88
COC1=CC=CC([C@H](NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])=C1	REAL300012776174	1	50	0.0	-82.19	392.30	4.92	-77.27
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC(C)C2C[N@H+](C)CCO2)C1	REAL300012776175	1	52	0.0	-83.81	385.36	6.06	-77.75
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC(C)C2C[N@@H+](C)CCO2)C1	REAL300012776175	1	52	0.0	-70.91	393.82	6.92	-63.99
COC1=CC=CC(CC(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])=C1	REAL300012776176	1	53	0.0	-84.53	415.45	6.33	-78.20
COC1=CC=CC(CC(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])=C1	REAL300012776176	1	53	0.0	-79.58	415.77	6.32	-73.26
CC(NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1C[N@H+](C)CCO1	REAL300012776177	1	55	0.0	-78.24	384.08	6.64	-71.60
CC(NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1C[N@@H+](C)CCO1	REAL300012776177	1	55	0.0	-83.68	384.10	6.64	-77.04
CC(NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776178	1	52	0.0	-72.84	404.84	7.26	-65.58
CC(NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776178	1	52	0.0	-68.62	406.03	7.71	-60.91
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C1C[N@H+](C)CCO1	REAL300012776179	1	51	0.0	-79.24	398.83	7.08	-72.16
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C1C[N@@H+](C)CCO1	REAL300012776179	1	51	0.0	-82.75	398.84	7.08	-75.67
COC1CN(C(=O)NC(C)C2C[N@H+](C)CCO2)C(C)(C(=O)[O-])C1	REAL300012776180	1	50	0.0	-75.05	377.53	5.41	-69.64
COC1CN(C(=O)NC(C)C2C[N@@H+](C)CCO2)C(C)(C(=O)[O-])C1	REAL300012776180	1	50	0.0	-73.89	376.43	5.48	-68.41
CC(NC(=O)NC(CC1CCCOC1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776181	1	53	0.0	-69.96	395.59	5.51	-64.45
CC(NC(=O)NC(CC1CCCOC1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776181	1	53	0.0	-76.39	394.78	5.59	-70.80
CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1C[N@H+](C)CCO1	REAL300012776182	1	48	0.0	-75.56	357.43	4.66	-70.90
CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1C[N@@H+](C)CCO1	REAL300012776182	1	48	0.0	-80.10	357.45	4.66	-75.44
C=C(Cl)CC(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776183	1	43	0.0	-75.13	355.11	4.68	-70.45
C=C(Cl)CC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776183	1	43	0.0	-73.76	356.06	5.19	-68.57
CC(NC(=O)N1C2CCC1(C(=O)[O-])CC2)C1C[N@H+](C)CCO1	REAL300012776184	1	47	0.0	-86.70	339.48	6.94	-79.76
CC(NC(=O)N1C2CCC1(C(=O)[O-])CC2)C1C[N@@H+](C)CCO1	REAL300012776184	1	47	0.0	-89.94	348.60	7.35	-82.59
CC(NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776185	1	52	0.0	-73.43	394.51	6.82	-66.61
CC(NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776185	1	52	0.0	-69.26	395.70	7.27	-61.99
CC(NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776186	1	43	0.0	-78.56	332.05	4.79	-73.77
CC(NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776186	1	43	0.0	-78.29	333.78	5.24	-73.05
CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776187	1	43	0.0	-83.79	334.55	5.59	-78.20
CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776187	1	43	0.0	-84.17	327.34	5.17	-79.00
CC(NC(=O)NC(CC1CCOCC1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776188	1	53	0.0	-75.61	398.09	4.37	-71.24
CC(NC(=O)NC(CC1CCOCC1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776188	1	53	0.0	-79.52	394.81	5.54	-73.98
CC(C)C[C@H](NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776189	1	48	0.0	-74.27	365.10	4.92	-69.35
CC(C)C[C@H](NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776189	1	48	0.0	-78.80	364.53	4.87	-73.93
CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C1C[N@H+](C)CCO1	REAL300012776190	1	50	0.0	-78.85	374.72	3.62	-75.23
CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C1C[N@@H+](C)CCO1	REAL300012776190	1	50	0.0	-71.04	377.86	4.05	-66.99
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1C[N@H+](C)CCO1	REAL300012776191	1	46	0.0	-76.46	362.77	5.63	-70.83
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1C[N@@H+](C)CCO1	REAL300012776191	1	46	0.0	-78.85	363.99	6.07	-72.78
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1C[N@H+](C)CCO1	REAL300012776192	1	49	0.0	-78.60	401.86	6.63	-71.97
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1C[N@@H+](C)CCO1	REAL300012776192	1	49	0.0	-77.54	402.47	7.15	-70.39
CC(NC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776193	1	45	0.0	-70.83	373.57	4.15	-66.68
CC(NC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776193	1	45	0.0	-76.74	370.82	3.75	-72.99
CC(C)CCCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776194	1	54	0.0	-73.56	407.89	6.42	-67.14
CC(C)CCCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776194	1	54	0.0	-68.87	409.07	6.87	-62.00
CC(NC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776195	1	52	0.0	-83.12	416.33	7.46	-75.66
CC(NC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776195	1	52	0.0	-74.51	415.74	7.47	-67.04
CC(NC(=O)NC(CC1CCCO1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776196	1	50	0.0	-79.02	382.74	3.89	-75.13
CC(NC(=O)NC(CC1CCCO1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776196	1	50	0.0	-74.58	383.93	4.35	-70.23
CSCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776197	1	43	0.0	-71.77	349.45	4.01	-67.76
CSCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776197	1	43	0.0	-74.87	351.29	4.42	-70.45
CC(NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776198	1	49	0.0	-69.90	393.25	7.08	-62.82
CC(NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776198	1	49	0.0	-73.31	391.26	6.70	-66.61
CCC(C)CC(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776199	1	51	0.0	-74.13	383.33	5.57	-68.56
CCC(C)CC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776199	1	51	0.0	-78.98	384.52	6.02	-72.96
C=CCCCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776200	1	49	0.0	-78.43	382.21	5.72	-72.71
C=CCCCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776200	1	49	0.0	-69.51	383.64	6.11	-63.40
CC(NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776201	1	49	0.0	-78.16	393.18	7.08	-71.08
CC(NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776201	1	49	0.0	-77.34	390.65	6.65	-70.69
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C1C[N@H+](C)CCO1	REAL300012776202	1	52	0.0	-80.40	403.54	7.77	-72.63
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C1C[N@@H+](C)CCO1	REAL300012776202	1	52	0.0	-82.68	404.89	8.24	-74.44
CC(NC(=O)N1CCSCC1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776203	1	44	0.0	-82.90	329.66	6.24	-76.66
CC(NC(=O)N1CCSCC1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776203	1	44	0.0	-81.62	337.43	6.90	-74.72
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1C[N@H+](C)CCO1	REAL300012776204	1	49	0.0	-76.35	370.60	6.40	-69.95
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1C[N@@H+](C)CCO1	REAL300012776204	1	49	0.0	-72.46	371.78	6.86	-65.60
CC(NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776205	1	47	0.0	-89.32	339.15	6.58	-82.74
CC(NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776205	1	47	0.0	-88.74	341.59	7.04	-81.70
CCN(C(=O)NC(C)C1C[N@H+](C)CCO1)C(C)(C)C(=O)[O-]	REAL300012776206	1	48	0.0	-73.15	353.13	6.77	-66.38
CCN(C(=O)NC(C)C1C[N@@H+](C)CCO1)C(C)(C)C(=O)[O-]	REAL300012776206	1	48	0.0	-76.75	351.33	6.30	-70.45
CCCN(C(=O)NC(C)C1C[N@H+](C)CCO1)C(C)C(=O)[O-]	REAL300012776207	1	48	0.0	-56.40	356.79	6.93	-49.47
CCCN(C(=O)NC(C)C1C[N@@H+](C)CCO1)C(C)C(=O)[O-]	REAL300012776207	1	48	0.0	-73.54	360.40	7.37	-66.17
CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1C[N@H+](C)CCO1	REAL300012776208	1	42	0.0	-67.00	340.90	6.30	-60.70
CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1C[N@@H+](C)CCO1	REAL300012776208	1	42	0.0	-71.65	336.60	6.19	-65.46
CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1C[N@H+](C)CCO1	REAL300012776209	1	42	0.0	-67.00	340.90	6.30	-60.70
CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1C[N@@H+](C)CCO1	REAL300012776209	1	42	0.0	-71.65	336.60	6.19	-65.46
CC(NC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776210	1	55	0.0	-67.36	409.45	4.08	-63.28
CC(NC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776210	1	55	0.0	-67.44	414.10	4.31	-63.13
CC(NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776211	1	44	0.0	-89.01	331.35	1.78	-87.23
CC(NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776211	1	44	0.0	-81.85	337.42	1.76	-80.09
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CN(C)CCO1	REAL300012776212	0	59	0.0	-64.40	438.16	3.66	-60.74
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC(C)C1C[N@H+](C)CCO1	REAL300012776213	1	50	0.0	-60.93	379.65	8.49	-52.44
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC(C)C1C[N@@H+](C)CCO1	REAL300012776213	1	50	0.0	-65.12	380.87	8.77	-56.35
CC(NC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776214	1	53	0.0	-65.80	389.76	8.68	-57.12
CC(NC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776214	1	53	0.0	-66.57	382.51	8.16	-58.41
CC(NC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776215	1	51	0.0	-77.62	382.13	6.75	-70.87
CC(NC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776215	1	51	0.0	-67.03	383.44	7.21	-59.82
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1C[N@H+](C)CCO1	REAL300012776216	1	46	0.0	-71.95	364.55	6.07	-65.88
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1C[N@@H+](C)CCO1	REAL300012776216	1	46	0.0	-78.57	363.77	6.16	-72.41
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1C[N@H+](C)CCO1	REAL300012776217	1	49	0.0	-74.46	403.27	7.07	-67.39
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1C[N@@H+](C)CCO1	REAL300012776217	1	49	0.0	-71.99	401.58	6.63	-65.36
CC(NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776218	1	51	0.0	-76.03	402.93	5.58	-70.45
CC(NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776218	1	51	0.0	-80.65	404.12	6.02	-74.63
CC(NC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776219	1	45	0.0	-73.15	373.34	4.01	-69.14
CC(NC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776219	1	45	0.0	-66.96	372.22	4.03	-62.93
CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776220	1	46	0.0	-70.38	390.87	5.44	-64.94
CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776220	1	46	0.0	-74.59	390.30	5.39	-69.20
CC(NC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776222	1	47	0.0	-77.53	346.71	4.39	-73.14
CC(NC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776222	1	47	0.0	-75.75	355.16	5.28	-70.47
CC(NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1C[N@H+](C)CCO1	REAL300012776223	1	46	0.0	-80.24	354.93	5.24	-75.00
CC(NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1C[N@@H+](C)CCO1	REAL300012776223	1	46	0.0	-79.69	362.20	5.66	-74.03
CC(NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776224	1	49	0.0	-73.86	373.99	5.41	-68.45
CC(NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776224	1	49	0.0	-70.70	377.79	5.43	-65.27
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1C[N@H+](C)CCO1	REAL300012776225	1	49	0.0	-61.46	360.92	6.92	-54.54
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1C[N@@H+](C)CCO1	REAL300012776225	1	49	0.0	-66.41	355.46	6.95	-59.46
CC[C@H](C)[C@H](NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776226	1	48	0.0	-74.66	357.16	4.55	-70.11
CC[C@H](C)[C@H](NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776226	1	48	0.0	-69.91	358.35	5.01	-64.90
CC(NC(=O)NC1(C(=O)[O-])CC(CO)C1)C1C[N@H+](C)CCO1	REAL300012776227	1	47	0.0	-75.86	361.84	1.98	-73.88
CC(NC(=O)NC1(C(=O)[O-])CC(CO)C1)C1C[N@@H+](C)CCO1	REAL300012776227	1	47	0.0	-87.60	358.22	1.42	-86.18
CC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1C[N@H+](C)CCO1	REAL300012776228	1	55	0.0	-82.33	403.40	4.39	-77.94
CC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1C[N@@H+](C)CCO1	REAL300012776228	1	55	0.0	-81.71	410.14	4.86	-76.85
CC(NC(=O)NC1(C(=O)[O-])CCC(C)C1)C1C[N@H+](C)CCO1	REAL300012776229	1	49	0.0	-77.45	362.83	5.21	-72.24
CC(NC(=O)NC1(C(=O)[O-])CCC(C)C1)C1C[N@@H+](C)CCO1	REAL300012776229	1	49	0.0	-82.17	362.63	5.24	-76.93
CC(NC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1C[N@H+](C)CCO1	REAL300012776230	1	52	0.0	-83.40	370.54	5.88	-77.52
CC(NC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1C[N@@H+](C)CCO1	REAL300012776230	1	52	0.0	-78.10	370.48	5.88	-72.22
COCCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776231	1	46	0.0	-74.45	360.33	2.61	-71.84
COCCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776231	1	46	0.0	-69.00	360.67	3.09	-65.91
CC(NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776232	1	52	0.0	-81.18	397.38	8.98	-72.20
CC(NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776232	1	52	0.0	-78.92	395.59	8.68	-70.24
CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1C[N@H+](C)CCO1	REAL300012776233	1	49	0.0	-79.72	356.98	5.53	-74.19
CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1C[N@@H+](C)CCO1	REAL300012776233	1	49	0.0	-79.08	364.19	5.95	-73.13
CC(NC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)C1C[N@H+](C)CCO1	REAL300012776234	1	56	0.0	-85.32	413.34	8.38	-76.94
CC(NC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)C1C[N@@H+](C)CCO1	REAL300012776234	1	56	0.0	-84.53	411.49	7.93	-76.60
CC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1C[N@H+](C)CCO1	REAL300012776235	1	55	0.0	-81.50	404.61	4.79	-76.71
CC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1C[N@@H+](C)CCO1	REAL300012776235	1	55	0.0	-81.16	411.88	5.21	-75.95
CC(NC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776236	1	44	0.0	-91.25	336.10	1.95	-89.30
CC(NC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776236	1	44	0.0	-82.71	331.90	1.95	-80.76
CC(NC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776237	1	54	0.0	-69.85	398.89	9.09	-60.76
CC(NC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776237	1	54	0.0	-67.01	404.96	9.17	-57.84
CC(NC(=O)NC(C(=O)[O-])C1CCOC1)C1C[N@H+](C)CCO1	REAL300012776238	1	47	0.0	-72.86	358.88	2.61	-70.25
CC(NC(=O)NC(C(=O)[O-])C1CCOC1)C1C[N@@H+](C)CCO1	REAL300012776238	1	47	0.0	-67.17	358.62	3.07	-64.10
CC(NC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776239	1	47	0.0	-88.81	340.39	6.15	-82.66
CC(NC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776239	1	47	0.0	-89.94	342.10	6.60	-83.34
CC(NC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1C[N@H+](C)CCO1	REAL300012776240	1	50	0.0	-82.73	394.69	5.75	-76.98
CC(NC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1C[N@@H+](C)CCO1	REAL300012776240	1	50	0.0	-78.64	395.88	6.20	-72.44
CC(NC(=O)N1CC2CC1(C(=O)[O-])CO2)C1C[N@H+](C)CCO1	REAL300012776241	1	45	0.0	-81.87	333.80	4.33	-77.54
CC(NC(=O)N1CC2CC1(C(=O)[O-])CO2)C1C[N@@H+](C)CCO1	REAL300012776241	1	45	0.0	-82.71	339.85	4.37	-78.34
CC(NC(=O)N1CC(C)CCC1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776242	1	49	0.0	-86.04	350.42	6.91	-79.13
CC(NC(=O)N1CC(C)CCC1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776242	1	49	0.0	-85.60	352.11	7.33	-78.27
CC(NC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)C1C[N@H+](C)CCO1	REAL300012776243	1	52	0.0	-74.41	400.21	6.96	-67.45
CC(NC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)C1C[N@@H+](C)CCO1	REAL300012776243	1	52	0.0	-80.54	391.16	7.04	-73.50
CC(NC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776244	1	53	0.0	-74.27	394.80	7.36	-66.91
CC(NC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776244	1	53	0.0	-69.73	395.98	7.81	-61.92
CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1C[N@H+](C)CCO1	REAL300012776245	1	59	0.0	-76.62	412.82	5.91	-70.71
CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C1C[N@@H+](C)CCO1	REAL300012776245	1	59	0.0	-75.87	419.74	6.29	-69.58
CC(NC(=O)NC(C(=O)[O-])C1CCCCC1)C1C[N@H+](C)CCO1	REAL300012776246	1	52	0.0	-80.47	379.72	5.83	-74.64
CC(NC(=O)NC(C(=O)[O-])C1CCCCC1)C1C[N@@H+](C)CCO1	REAL300012776246	1	52	0.0	-80.41	380.91	6.29	-74.12
CC(NC(=O)NC(CC1CCCCO1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776247	1	53	0.0	-73.50	398.05	5.31	-68.19
CC(NC(=O)NC(CC1CCCCO1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776247	1	53	0.0	-79.40	400.08	5.71	-73.69
CC(NC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1C[N@H+](C)CCO1	REAL300012776248	1	53	0.0	-61.71	366.38	7.30	-54.41
CC(NC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1C[N@@H+](C)CCO1	REAL300012776248	1	53	0.0	-44.87	363.29	7.22	-37.65
CC(NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1C[N@H+](C)CCO1	REAL300012776249	1	53	0.0	-73.78	370.64	4.58	-69.20
CC(NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1C[N@@H+](C)CCO1	REAL300012776249	1	53	0.0	-82.66	376.67	4.56	-78.10
CC(NC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776250	1	52	0.0	-71.75	424.77	8.34	-63.41
CC(NC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776250	1	52	0.0	-72.14	425.01	8.29	-63.85
CC1=CC=CC2=C1CCN(C(=O)NC(C)C1C[N@H+](C)CCO1)C2C(=O)[O-]	REAL300012776251	1	53	0.0	-67.72	395.71	8.49	-59.23
CC1=CC=CC2=C1CCN(C(=O)NC(C)C1C[N@@H+](C)CCO1)C2C(=O)[O-]	REAL300012776251	1	53	0.0	-58.65	396.10	8.93	-49.72
CC(NC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776252	1	47	0.0	-48.11	346.64	6.84	-41.27
CC(NC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776252	1	47	0.0	-64.19	349.32	6.93	-57.26
CC(NC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776253	1	53	0.0	-74.27	394.80	7.36	-66.91
CC(NC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776253	1	53	0.0	-69.73	395.98	7.81	-61.92
CC(NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776254	1	49	0.0	-68.36	393.18	7.07	-61.29
CC(NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776254	1	49	0.0	-75.54	392.38	7.16	-68.38
COC1CC(NC(=O)NC(C)C2C[N@H+](C)CCO2)(C(=O)[O-])C1	REAL300012776255	1	47	0.0	-78.18	355.08	3.24	-74.94
COC1CC(NC(=O)NC(C)C2C[N@@H+](C)CCO2)(C(=O)[O-])C1	REAL300012776255	1	47	0.0	-86.08	362.43	3.67	-82.41
CC(NC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1C[N@H+](C)CCO1	REAL300012776256	1	43	0.0	-81.89	330.14	4.31	-77.58
CC(NC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1C[N@@H+](C)CCO1	REAL300012776256	1	43	0.0	-74.72	340.49	4.54	-70.18
CO[C@H]1C[C@](NC(=O)NC(C)C2C[N@H+](C)CCO2)(C(=O)[O-])C1	REAL300012776257	1	47	0.0	-79.05	353.45	3.14	-75.91
CO[C@H]1C[C@](NC(=O)NC(C)C2C[N@@H+](C)CCO2)(C(=O)[O-])C1	REAL300012776257	1	47	0.0	-73.14	361.25	3.95	-69.19
CC(NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1C[N@H+](C)CCO1	REAL300012776258	1	46	0.0	-72.19	365.64	4.96	-67.23
CC(NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1C[N@@H+](C)CCO1	REAL300012776258	1	46	0.0	-76.55	366.79	5.30	-71.25
CCC1(C(=O)[O-])CCCN1C(=O)NC(C)C1C[N@H+](C)CCO1	REAL300012776259	1	49	0.0	-78.35	357.48	7.70	-70.65
CCC1(C(=O)[O-])CCCN1C(=O)NC(C)C1C[N@@H+](C)CCO1	REAL300012776259	1	49	0.0	-76.04	359.47	7.64	-68.40
CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776260	1	42	0.0	-69.63	342.58	4.26	-65.37
CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776260	1	42	0.0	-71.72	343.77	4.69	-67.03
CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776261	1	50	0.0	-74.40	381.53	3.61	-70.79
CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776261	1	50	0.0	-76.43	378.16	4.58	-71.85
CC(NC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776262	1	46	0.0	-77.97	377.00	5.62	-72.35
CC(NC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776262	1	46	0.0	-71.20	378.13	6.07	-65.13
COCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012776263	1	53	0.0	-79.56	403.80	5.62	-73.94
COCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012776263	1	53	0.0	-78.62	404.97	6.07	-72.55
CC(C)C(C)(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776264	1	48	0.0	-74.67	347.51	4.61	-70.06
CC(C)C(C)(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776264	1	48	0.0	-79.59	346.89	5.00	-74.59
CC(NC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776265	1	47	0.0	-86.66	348.72	6.24	-80.42
CC(NC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776265	1	47	0.0	-81.75	348.72	6.22	-75.53
CC(NC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776266	1	52	0.0	-58.28	392.75	9.35	-48.93
CC(NC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776266	1	52	0.0	-42.81	390.51	9.53	-33.28
CC(NC(=O)NC(CC1CCCCC1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776267	1	55	0.0	-79.40	406.73	6.82	-72.58
CC(NC(=O)NC(CC1CCCCC1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776267	1	55	0.0	-70.31	408.22	7.20	-63.11
CC(NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776268	1	52	0.0	-75.41	408.05	7.34	-68.07
CC(NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776268	1	52	0.0	-70.16	408.42	7.81	-62.35
CC(NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776269	1	52	0.0	-79.37	407.80	7.40	-71.97
CC(NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776269	1	52	0.0	-75.33	408.07	7.35	-67.98
CC(NC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1C[N@H+](C)CCO1	REAL300012776270	1	53	0.0	-71.75	391.27	6.84	-64.91
CC(NC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1C[N@@H+](C)CCO1	REAL300012776270	1	53	0.0	-76.55	389.41	6.38	-70.17
CC(NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776271	1	55	0.0	-79.37	406.77	6.83	-72.54
CC(NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776271	1	55	0.0	-79.81	407.95	7.29	-72.52
CC(NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776272	1	55	0.0	-79.56	407.90	7.22	-72.34
CC(NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776272	1	55	0.0	-70.34	408.16	7.20	-63.14
CC(NC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776273	1	53	0.0	-60.51	388.11	7.37	-53.14
CC(NC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776273	1	53	0.0	-63.59	388.44	7.87	-55.72
CC(NC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776274	1	53	0.0	-82.84	377.88	6.95	-75.89
CC(NC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776274	1	53	0.0	-78.88	377.21	7.26	-71.62
COC1=CC=C(CC(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1	REAL300012776275	1	53	0.0	-79.70	414.46	5.88	-73.82
COC1=CC=C(CC(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1	REAL300012776275	1	53	0.0	-70.83	415.46	6.38	-64.45
C=CCSCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776276	1	47	0.0	-75.91	384.38	5.42	-70.49
C=CCSCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776276	1	47	0.0	-74.91	385.57	5.87	-69.04
CC(NC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776277	1	50	0.0	-78.40	405.60	7.03	-71.37
CC(NC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776277	1	50	0.0	-79.44	407.10	7.42	-72.02
CC(NC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776278	1	53	0.0	-80.99	417.15	6.77	-74.22
CC(NC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776278	1	53	0.0	-95.29	425.66	7.07	-88.22
CCC(C(=O)[O-])N(CC)C(=O)NC(C)C1C[N@H+](C)CCO1	REAL300012776279	1	48	0.0	-76.24	344.77	6.29	-69.95
CCC(C(=O)[O-])N(CC)C(=O)NC(C)C1C[N@@H+](C)CCO1	REAL300012776279	1	48	0.0	-72.19	354.22	7.44	-64.75
COC1(C(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])CCC1	REAL300012776280	1	50	0.0	-82.34	374.57	3.35	-78.99
COC1(C(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])CCC1	REAL300012776280	1	50	0.0	-76.19	373.75	3.16	-73.03
CC(NC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C1C[N@H+](C)CCO1	REAL300012776281	1	52	0.0	-85.70	382.52	6.62	-79.08
CC(NC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C1C[N@@H+](C)CCO1	REAL300012776281	1	52	0.0	-85.34	389.76	7.04	-78.30
CC(NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C1C[N@H+](C)CCO1	REAL300012776282	1	53	0.0	-83.40	386.85	7.25	-76.15
CC(NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C1C[N@@H+](C)CCO1	REAL300012776282	1	53	0.0	-74.75	395.28	8.12	-66.63
CC(NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1C[N@H+](C)CCO1	REAL300012776283	1	46	0.0	-76.96	361.43	5.54	-71.42
CC(NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1C[N@@H+](C)CCO1	REAL300012776283	1	46	0.0	-86.31	360.99	5.55	-80.76
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1C[N@H+](C)CCO1	REAL300012776285	1	58	0.0	-79.55	438.80	8.03	-71.52
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1C[N@@H+](C)CCO1	REAL300012776285	1	58	0.0	-78.41	440.19	8.39	-70.02
CC(C)C1=CC=C(C(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1	REAL300012776286	1	55	0.0	-79.72	423.07	7.55	-72.17
CC(C)C1=CC=C(C(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1	REAL300012776286	1	55	0.0	-79.30	422.43	7.59	-71.71
CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776287	1	43	0.0	-83.79	334.55	5.59	-78.20
CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776287	1	43	0.0	-84.17	327.34	5.17	-79.00
CC(NC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776288	1	45	0.0	-67.95	333.99	5.87	-62.08
CC(NC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776288	1	45	0.0	-60.23	340.96	6.31	-53.92
CC(NC(=O)N1CCC(C)(C)C1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776289	1	49	0.0	-88.10	355.52	6.14	-81.96
CC(NC(=O)N1CCC(C)(C)C1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776289	1	49	0.0	-81.62	353.08	5.95	-75.67
CCOC1=CC=C(C(NC(=O)NC(C)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1	REAL300012776290	1	53	0.0	-79.47	414.19	5.83	-73.64
CCOC1=CC=C(C(NC(=O)NC(C)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1	REAL300012776290	1	53	0.0	-78.03	415.10	6.37	-71.66
CC(NC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776291	1	53	0.0	-85.98	376.33	8.44	-77.54
CC(NC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776291	1	53	0.0	-85.86	380.85	8.36	-77.50
CC(NC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C1C[N@H+](C)CCO1	REAL300012776292	1	53	0.0	-81.71	406.55	7.95	-73.76
CC(NC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C1C[N@@H+](C)CCO1	REAL300012776292	1	53	0.0	-79.93	402.72	8.04	-71.89
CC(NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776293	1	53	0.0	-79.88	405.23	6.66	-73.22
CC(NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776293	1	53	0.0	-76.09	406.42	7.12	-68.97
CC(NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776294	1	49	0.0	-76.21	395.01	7.26	-68.95
CC(NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776294	1	49	0.0	-75.97	392.48	6.84	-69.13
CC(C)CCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776295	1	51	0.0	-78.68	386.96	5.68	-73.00
CC(C)CCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776295	1	51	0.0	-69.97	388.40	6.06	-63.91
CC(NC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776296	1	50	0.0	-61.28	365.02	6.52	-54.76
CC(NC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776296	1	50	0.0	-64.68	367.69	6.93	-57.75
CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776297	1	50	0.0	-74.40	381.53	3.61	-70.79
CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776297	1	50	0.0	-76.43	378.16	4.58	-71.85
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC(C)C2C[N@H+](C)CCO2)C1	REAL300012776298	1	47	0.0	-82.75	361.44	6.20	-76.55
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC(C)C2C[N@@H+](C)CCO2)C1	REAL300012776298	1	47	0.0	-79.24	362.47	6.02	-73.22
CC(NC(=O)NC1(C(=O)[O-])CCCC2CC21)C1C[N@H+](C)CCO1	REAL300012776299	1	50	0.0	-79.24	362.01	6.39	-72.85
CC(NC(=O)NC1(C(=O)[O-])CCCC2CC21)C1C[N@@H+](C)CCO1	REAL300012776299	1	50	0.0	-79.27	361.79	6.40	-72.87
CC(NC(=O)NC1(C(=O)[O-])CCC2CC21)C1C[N@H+](C)CCO1	REAL300012776300	1	47	0.0	-77.43	350.36	5.26	-72.17
CC(NC(=O)NC1(C(=O)[O-])CCC2CC21)C1C[N@@H+](C)CCO1	REAL300012776300	1	47	0.0	-82.73	350.88	5.27	-77.46
CC(NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1C[N@H+](C)CCO1	REAL300012776301	1	50	0.0	-78.23	362.90	5.46	-72.77
CC(NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1C[N@@H+](C)CCO1	REAL300012776301	1	50	0.0	-82.66	371.34	6.33	-76.33
CC(NC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776302	1	52	0.0	-78.00	393.66	8.49	-69.51
CC(NC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776302	1	52	0.0	-74.16	395.70	8.53	-65.63
CC(NC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1C[N@H+](C)CCO1	REAL300012776303	1	56	0.0	-64.06	395.44	7.93	-56.13
CC(NC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1C[N@@H+](C)CCO1	REAL300012776303	1	56	0.0	-67.80	403.71	7.88	-59.92
CC(NC(=O)NC(C(=O)[O-])C1CCCC1)C1C[N@H+](C)CCO1	REAL300012776304	1	49	0.0	-79.77	362.82	5.14	-74.63
CC(NC(=O)NC(C(=O)[O-])C1CCCC1)C1C[N@@H+](C)CCO1	REAL300012776304	1	49	0.0	-80.32	369.16	5.66	-74.66
CO[C@H](C)[C@H](NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776305	1	46	0.0	-75.11	356.16	2.80	-72.31
CO[C@H](C)[C@H](NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776305	1	46	0.0	-80.34	351.18	2.82	-77.52
CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1C[N@H+](C)CCO1	REAL300012776306	1	49	0.0	-51.59	379.26	8.53	-43.06
CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1C[N@@H+](C)CCO1	REAL300012776306	1	49	0.0	-68.69	383.59	8.37	-60.32
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)C1C[N@H+](C)CCO1	REAL300012776307	1	56	0.0	-78.65	438.51	9.55	-69.10
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)C1C[N@@H+](C)CCO1	REAL300012776307	1	56	0.0	-78.83	438.18	9.49	-69.34
CC(NC(=O)N1CC(C)(C)CC1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776308	1	49	0.0	-64.81	367.96	6.67	-58.14
CC(NC(=O)N1CC(C)(C)CC1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776308	1	49	0.0	-61.94	358.78	5.77	-56.17
CC(NC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776309	1	50	0.0	-62.66	389.68	8.05	-54.61
CC(NC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776309	1	50	0.0	-66.87	389.68	8.03	-58.84
CC(NC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776310	1	46	0.0	-83.30	340.89	6.42	-76.88
CC(NC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776310	1	46	0.0	-81.69	348.71	7.00	-74.69
CC(NC(=O)N1CCC(F)(F)C1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776311	1	43	0.0	-84.30	332.15	4.77	-79.53
CC(NC(=O)N1CCC(F)(F)C1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776311	1	43	0.0	-84.15	336.88	5.36	-78.79
CC(NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776312	1	49	0.0	-68.36	393.18	7.07	-61.29
CC(NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776312	1	49	0.0	-75.54	392.38	7.16	-68.38
CC(NC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776313	1	46	0.0	-78.53	375.75	5.56	-72.97
CC(NC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776313	1	46	0.0	-70.15	377.10	5.95	-64.20
CC(NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776314	1	46	0.0	-69.54	356.29	6.58	-62.96
CC(NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776314	1	46	0.0	-77.40	355.05	6.23	-71.17
CC(NC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1C[N@H+](C)CCO1	REAL300012776315	1	50	0.0	-75.71	391.37	6.75	-68.96
CC(NC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1C[N@@H+](C)CCO1	REAL300012776315	1	50	0.0	-76.06	390.89	6.75	-69.31
CC(NC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776316	1	54	0.0	-84.89	405.42	7.42	-77.47
CC(NC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776316	1	54	0.0	-73.85	414.81	8.38	-65.47
CC(NC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776317	1	46	0.0	-78.53	375.75	5.56	-72.97
CC(NC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776317	1	46	0.0	-70.15	377.10	5.95	-64.20
CC(NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776318	1	50	0.0	-87.53	363.50	6.62	-80.91
CC(NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776318	1	50	0.0	-82.50	363.08	6.53	-75.97
COCCCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776319	1	49	0.0	-78.00	381.81	3.39	-74.61
COCCCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776319	1	49	0.0	-68.83	382.17	3.86	-64.97
CCCC(C(=O)[O-])N(C)C(=O)NC(C)C1C[N@H+](C)CCO1	REAL300012776320	1	48	0.0	-75.71	360.32	6.77	-68.94
CCCC(C(=O)[O-])N(C)C(=O)NC(C)C1C[N@@H+](C)CCO1	REAL300012776320	1	48	0.0	-67.36	353.64	6.38	-60.98
CCOCC(NC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300012776321	1	46	0.0	-80.86	360.22	2.81	-78.05
CCOCC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300012776321	1	46	0.0	-80.36	361.41	3.27	-77.09
CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776322	1	51	0.0	-79.59	377.49	5.95	-73.64
CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776322	1	51	0.0	-79.89	378.67	6.42	-73.47
CC(NC(=O)NC(C(=O)[O-])C1CCCCO1)C1C[N@H+](C)CCO1	REAL300012776323	1	50	0.0	-81.72	375.39	3.71	-78.01
CC(NC(=O)NC(C(=O)[O-])C1CCCCO1)C1C[N@@H+](C)CCO1	REAL300012776323	1	50	0.0	-82.06	377.42	4.11	-77.95
CC(NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1C[N@H+](C)CCO1	REAL300012776324	1	50	0.0	-73.87	384.06	7.31	-66.56
CC(NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1C[N@@H+](C)CCO1	REAL300012776324	1	50	0.0	-82.33	382.40	6.94	-75.39
CC(NC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776325	1	47	0.0	-82.96	348.37	4.99	-77.97
CC(NC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776325	1	47	0.0	-82.77	349.22	5.48	-77.29
CC(NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776326	1	49	0.0	-79.78	367.67	6.40	-73.38
CC(NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776326	1	49	0.0	-75.38	367.64	6.40	-68.98
CC(NC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1C[N@H+](C)CCO1	REAL300012776327	1	60	0.0	-73.15	420.28	8.17	-64.98
CC(NC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C1C[N@@H+](C)CCO1	REAL300012776327	1	60	0.0	-72.31	418.78	8.12	-64.19
CC(NC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776328	1	52	0.0	-82.14	411.37	7.39	-74.75
CC(NC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776328	1	52	0.0	-73.30	411.61	7.37	-65.93
CC(NC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1C[N@H+](C)CCO1	REAL300012776329	1	46	0.0	-53.77	359.16	6.53	-47.24
CC(NC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1C[N@@H+](C)CCO1	REAL300012776329	1	46	0.0	-54.17	366.42	6.96	-47.21
CC(NC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776330	1	57	0.0	-83.07	391.46	6.51	-76.56
CC(NC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776330	1	57	0.0	-83.99	398.80	7.00	-76.99
CC(NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300012776331	1	48	0.0	-79.99	398.65	5.67	-74.32
CC(NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300012776331	1	48	0.0	-71.15	397.84	5.73	-65.42
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC(C)C2C[N@H+](C)CCO2)C1	REAL300012776332	1	50	0.0	-81.60	372.47	5.06	-76.54
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC(C)C2C[N@@H+](C)CCO2)C1	REAL300012776332	1	50	0.0	-74.63	380.94	5.93	-68.70
COCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCO1	REAL300012776490	0	58	0.0	-67.30	434.95	6.38	-60.92
CC(C)C[C@H](NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776618	0	57	0.0	-69.26	436.37	10.10	-59.16
CC(C)C[C@H](NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776618	1	57	0.0	-78.68	437.17	9.94	-68.74
C=CCOCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776619	0	56	0.0	-77.29	442.60	8.25	-69.04
C=CCOCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776619	1	56	0.0	-79.39	444.60	8.42	-70.97
C=CC(C)C(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776620	0	55	0.0	-73.69	424.84	9.57	-64.12
C=CC(C)C(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776620	1	55	0.0	-68.73	427.26	9.76	-58.97
CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776621	0	59	0.0	-76.97	446.00	8.51	-68.46
CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776621	1	59	0.0	-79.35	448.49	8.68	-70.67
COC1CCN(C(=O)NC(C)C2CC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012776622	0	59	0.0	-89.09	438.92	10.64	-78.45
COC1CCN(C(=O)NC(C)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300012776622	1	59	0.0	-86.70	440.62	10.88	-75.82
CC(NC(=O)NC(C(=O)[O-])C1CCCOC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776623	0	59	0.0	-67.87	442.37	8.62	-59.25
CC(NC(=O)NC(C(=O)[O-])C1CCCOC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776623	1	59	0.0	-78.84	447.18	8.67	-70.17
CC(NC(=O)N1CCC(C)CC1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776624	0	58	0.0	-86.26	420.15	11.72	-74.54
CC(NC(=O)N1CCC(C)CC1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776624	1	58	0.0	-87.12	428.01	12.37	-74.75
CCCN(CC(=O)[O-])C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776625	0	54	0.0	-62.37	415.42	11.06	-51.31
CCCN(CC(=O)[O-])C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776625	1	54	0.0	-61.60	411.43	10.94	-50.66
CC(NC(=O)N(C(C)C(=O)[O-])C1CCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776626	0	58	0.0	-63.27	428.46	11.43	-51.84
CC(NC(=O)N(C(C)C(=O)[O-])C1CCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776626	1	58	0.0	-63.85	430.92	11.59	-52.26
CCCN(C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(COC)C(=O)[O-]	REAL300012776627	0	61	0.0	-76.92	455.57	10.98	-65.94
CCCN(C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(COC)C(=O)[O-]	REAL300012776627	1	61	0.0	-78.52	458.41	12.11	-66.41
CCCN(C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012776628	0	60	0.0	-56.33	442.31	13.20	-43.13
CCCN(C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300012776628	1	60	0.0	-55.53	441.58	12.98	-42.55
CC(C)C(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776629	0	54	0.0	-78.98	413.04	9.05	-69.93
CC(C)C(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776629	1	54	0.0	-77.06	412.65	9.19	-67.87
CC(NC(=O)N1CCCCC1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776630	0	55	0.0	-85.89	406.05	11.38	-74.51
CC(NC(=O)N1CCCCC1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776630	1	55	0.0	-86.91	407.18	11.78	-75.13
CC(NC(=O)N1CCSCC1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776631	0	53	0.0	-82.02	406.36	11.69	-70.33
CC(NC(=O)N1CCSCC1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776631	1	53	0.0	-84.42	401.43	11.31	-73.11
CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776632	0	58	0.0	-78.50	426.51	10.79	-67.71
CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776632	1	58	0.0	-80.47	421.54	10.61	-69.86
CC(NC(=O)N1CCCC1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776633	0	52	0.0	-85.87	396.11	9.99	-75.88
CC(NC(=O)N1CCCC1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776633	1	52	0.0	-82.59	399.06	10.19	-72.40
CC(NC(=O)NC1(C(=O)[O-])CCCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776634	0	55	0.0	-82.20	412.61	9.67	-72.53
CC(NC(=O)NC1(C(=O)[O-])CCCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776634	1	55	0.0	-82.32	412.07	9.68	-72.64
CC(NC(=O)NC1(C(=O)[O-])CCCCCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776635	0	61	0.0	-79.08	432.18	11.48	-67.60
CC(NC(=O)NC1(C(=O)[O-])CCCCCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776635	1	61	0.0	-79.70	432.93	11.44	-68.26
CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776636	0	58	0.0	-79.96	454.19	11.55	-68.41
CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776636	1	58	0.0	-80.11	456.84	11.65	-68.46
CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776637	0	58	0.0	-62.46	452.92	13.29	-49.17
CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776637	1	58	0.0	-62.55	453.32	13.29	-49.26
CC(NC(=O)NCC(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776638	0	45	0.0	-63.42	355.30	6.91	-56.51
CC(NC(=O)NCC(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776638	1	45	0.0	-63.79	354.62	6.76	-57.03
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776639	0	55	0.0	-79.14	431.93	10.62	-68.52
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776639	1	55	0.0	-76.86	434.40	10.79	-66.07
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776640	0	55	0.0	-77.69	432.13	10.54	-67.15
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776640	1	55	0.0	-77.31	434.64	10.70	-66.61
CCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776641	0	51	0.0	-78.09	395.75	8.53	-69.56
CCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776641	1	51	0.0	-78.26	398.47	8.63	-69.63
CC(C)C(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776642	0	54	0.0	-78.98	413.04	9.05	-69.93
CC(C)C(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776642	1	54	0.0	-77.06	412.65	9.19	-67.87
CC(NC(=O)N(C)CC(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776643	0	48	0.0	-77.72	372.11	9.31	-68.41
CC(NC(=O)N(C)CC(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776643	1	48	0.0	-70.34	373.36	9.43	-60.91
CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776644	0	58	0.0	-79.96	454.19	11.55	-68.41
CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776644	1	58	0.0	-80.11	456.84	11.65	-68.46
CC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776645	0	48	0.0	-68.61	374.17	7.45	-61.16
CC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776645	1	48	0.0	-68.81	370.97	7.41	-61.40
CCC(C)C(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776646	0	57	0.0	-78.72	425.93	9.50	-69.22
CCC(C)C(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776646	1	57	0.0	-71.59	427.89	9.58	-62.01
CC(NC(=O)N(C)CC(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776647	0	48	0.0	-77.72	372.11	9.31	-68.41
CC(NC(=O)N(C)CC(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776647	1	48	0.0	-70.34	373.36	9.43	-60.91
CC(NC(=O)N1CCCCC1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776648	0	55	0.0	-85.89	406.05	11.38	-74.51
CC(NC(=O)N1CCCCC1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776648	1	55	0.0	-86.91	407.18	11.78	-75.13
CCCC(C)(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776649	0	57	0.0	-75.31	421.63	9.58	-65.73
CCCC(C)(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776649	1	57	0.0	-78.41	422.86	9.72	-68.69
CC(C)N(CC(=O)[O-])C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776650	0	54	0.0	-63.26	403.98	10.57	-52.69
CC(C)N(CC(=O)[O-])C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776650	1	54	0.0	-62.43	406.16	10.69	-51.74
CC(NC(=O)N(CC(=O)[O-])C1CC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776651	0	52	0.0	-79.92	394.86	10.63	-69.29
CC(NC(=O)N(CC(=O)[O-])C1CC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776651	1	52	0.0	-79.53	400.83	10.77	-68.76
C=CCN(CC(=O)[O-])C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776652	0	52	0.0	-62.20	406.74	10.85	-51.35
C=CCN(CC(=O)[O-])C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776652	1	52	0.0	-63.31	403.54	10.80	-52.51
CC(C)CN(CC(=O)[O-])C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776653	0	57	0.0	-62.26	430.08	11.57	-50.69
CC(C)CN(CC(=O)[O-])C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776653	1	57	0.0	-63.51	426.88	11.51	-52.00
CC(NC(=O)NC(C)(C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776654	0	51	0.0	-62.38	388.66	8.12	-54.26
CC(NC(=O)NC(C)(C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776654	1	51	0.0	-62.59	387.99	7.97	-54.62
CC(NC(=O)NC(C)(C(=O)[O-])C1CC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776655	0	55	0.0	-78.36	411.49	9.87	-68.49
CC(NC(=O)NC(C)(C(=O)[O-])C1CC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776655	1	55	0.0	-78.38	405.66	9.53	-68.85
CC(NC(=O)NC(C(=O)[O-])C1=CC=CS1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776656	0	52	0.0	-75.89	425.71	9.90	-65.99
CC(NC(=O)NC(C(=O)[O-])C1=CC=CS1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776656	1	52	0.0	-78.14	423.95	9.71	-68.43
CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776657	0	58	0.0	-78.50	426.51	10.79	-67.71
CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776657	1	58	0.0	-80.47	421.54	10.61	-69.86
CC(C)N(CC(=O)[O-])C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776658	0	54	0.0	-63.26	403.98	10.57	-52.69
CC(C)N(CC(=O)[O-])C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776658	1	54	0.0	-62.43	406.16	10.69	-51.74
CCCN(CC(=O)[O-])C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776659	0	54	0.0	-62.37	415.42	11.06	-51.31
CCCN(CC(=O)[O-])C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776659	1	54	0.0	-61.60	411.43	10.94	-50.66
CCN(CC(=O)[O-])C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776660	0	51	0.0	-75.99	388.71	10.08	-65.91
CCN(CC(=O)[O-])C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776660	1	51	0.0	-70.39	395.17	10.41	-59.98
CC[C@H](C)[C@H](NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776661	0	57	0.0	-76.81	427.24	9.43	-67.38
CC[C@H](C)[C@H](NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776661	1	57	0.0	-79.15	429.71	9.60	-69.55
CC(NC(=O)NC1(C(=O)[O-])CCCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776662	0	55	0.0	-82.20	412.61	9.67	-72.53
CC(NC(=O)NC1(C(=O)[O-])CCCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776662	1	55	0.0	-82.32	412.07	9.68	-72.64
CCC(C)(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776663	0	54	0.0	-77.75	400.12	8.84	-68.91
CCC(C)(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776663	1	54	0.0	-77.60	396.93	8.80	-68.80
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776664	0	58	0.0	-79.72	439.96	11.32	-68.40
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776664	1	58	0.0	-79.66	436.76	11.28	-68.38
CC(NC(=O)N[C@@H](C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776665	0	48	0.0	-67.54	373.99	7.47	-60.07
CC(NC(=O)N[C@@H](C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776665	1	48	0.0	-67.82	375.39	7.57	-60.25
CCN(CC(=O)[O-])C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776666	0	51	0.0	-75.99	388.71	10.08	-65.91
CCN(CC(=O)[O-])C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776666	1	51	0.0	-70.39	395.17	10.41	-59.98
CC(NC(=O)N[C@H](C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776667	0	48	0.0	-65.83	376.39	7.69	-58.14
CC(NC(=O)N[C@H](C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776667	1	48	0.0	-67.61	376.64	7.62	-59.99
CC(NC(=O)NC1(C(=O)[O-])CC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776668	0	49	0.0	-83.04	380.31	8.64	-74.40
CC(NC(=O)NC1(C(=O)[O-])CC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776668	1	49	0.0	-82.33	382.68	8.89	-73.44
CC(NC(=O)N1CCOCC1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776669	0	53	0.0	-80.87	397.38	9.20	-71.67
CC(NC(=O)N1CCOCC1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776669	1	53	0.0	-81.78	398.91	9.21	-72.57
CC(NC(=O)N(C)C1(C(=O)[O-])CCCCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776670	0	61	0.0	-85.00	436.67	12.26	-72.74
CC(NC(=O)N(C)C1(C(=O)[O-])CCCCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776670	1	61	0.0	-85.17	436.85	12.23	-72.94
CC(NC(=O)NC(C(=O)[O-])C1CC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776671	0	52	0.0	-70.27	407.64	9.27	-61.00
CC(NC(=O)NC(C(=O)[O-])C1CC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776671	1	52	0.0	-76.86	404.86	9.13	-67.73
CC(NC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776672	0	58	0.0	-76.07	444.55	12.38	-63.69
CC(NC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776672	1	58	0.0	-77.16	439.97	12.10	-65.06
COCCN(CC(=O)[O-])C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776673	0	55	0.0	-63.18	425.30	9.47	-53.71
COCCN(CC(=O)[O-])C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776673	1	55	0.0	-62.07	420.95	9.72	-52.35
CC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776674	0	52	0.0	-85.91	397.03	9.98	-75.93
CC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776674	1	52	0.0	-84.94	391.42	9.97	-74.97
CC(NC(=O)N1CCCC[C@@H]1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776675	0	55	0.0	-85.66	400.89	11.39	-74.27
CC(NC(=O)N1CCCC[C@@H]1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776675	1	55	0.0	-85.65	406.63	11.49	-74.16
CC(NC(=O)N(C)[C@H](C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776676	0	51	0.0	-72.32	388.43	9.71	-62.61
CC(NC(=O)N(C)[C@H](C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776676	1	51	0.0	-75.10	387.18	9.59	-65.51
CC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776677	0	52	0.0	-82.11	395.78	10.07	-72.04
CC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776677	1	52	0.0	-84.94	397.99	10.33	-74.61
CC(NC(=O)NC1(C(=O)[O-])CCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776678	0	52	0.0	-83.20	398.45	9.32	-73.88
CC(NC(=O)NC1(C(=O)[O-])CCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776678	1	52	0.0	-82.43	399.08	9.39	-73.04
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CC(NC(=O)N1CCCC1(C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776680	0	55	0.0	-84.44	411.88	10.91	-73.53
CC(NC(=O)N1CCCC1(C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776680	1	55	0.0	-84.14	408.65	10.87	-73.27
CC(NC(=O)N1CCCCCC1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776681	0	58	0.0	-83.87	419.54	11.94	-71.93
CC(NC(=O)N1CCCCCC1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776681	1	58	0.0	-83.51	422.51	12.42	-71.09
CC(NC(=O)NC(C(=O)[O-])C1CC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776682	0	52	0.0	-70.27	407.64	9.27	-61.00
CC(NC(=O)NC(C(=O)[O-])C1CC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776682	1	52	0.0	-76.86	404.86	9.13	-67.73
CC(NC(=O)N(C)C(C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776683	0	51	0.0	-66.24	388.93	9.81	-56.43
CC(NC(=O)N(C)C(C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776683	1	51	0.0	-72.99	386.49	9.54	-63.45
CCCCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776684	0	57	0.0	-78.03	438.75	10.08	-67.95
CCCCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776684	1	57	0.0	-75.45	441.46	10.18	-65.27
CC(NC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776685	0	55	0.0	-81.53	413.59	11.01	-70.52
CC(NC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776685	1	55	0.0	-81.92	412.28	10.91	-71.01
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776686	0	58	0.0	-48.99	432.19	12.11	-36.88
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776686	1	58	0.0	-65.56	432.53	12.04	-53.52
COCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776687	0	52	0.0	-79.73	407.72	6.76	-72.97
COCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776687	1	52	0.0	-79.80	410.32	6.88	-72.92
CCCCCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776688	0	60	0.0	-78.27	460.49	10.80	-67.47
CCCCCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776688	1	60	0.0	-74.95	462.72	11.03	-63.92
CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776689	0	59	0.0	-65.14	438.73	10.18	-54.96
CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776689	1	59	0.0	-61.66	439.15	10.18	-51.48
CC(NC(=O)N(C)C1(C(=O)[O-])CCCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776690	0	58	0.0	-83.45	415.31	11.35	-72.10
CC(NC(=O)N(C)C1(C(=O)[O-])CCCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776690	1	58	0.0	-76.07	425.34	11.79	-64.28
CC(NC(=O)N(C(C)C(=O)[O-])C1CC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776691	0	55	0.0	-78.87	410.86	11.24	-67.63
CC(NC(=O)N(C(C)C(=O)[O-])C1CC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776691	1	55	0.0	-73.88	400.99	10.57	-63.31
CCC(C(=O)[O-])N(C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012776692	0	58	0.0	-62.90	433.89	12.04	-50.86
CCC(C(=O)[O-])N(C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300012776692	1	58	0.0	-69.41	434.81	12.28	-57.13
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776693	0	55	0.0	-76.23	437.66	10.91	-65.32
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776693	1	55	0.0	-85.21	437.82	10.75	-74.46
CC1=CC=C(C(NC(=O)NC(C)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300012776694	0	58	0.0	-79.62	453.58	11.22	-68.40
CC1=CC=C(C(NC(=O)NC(C)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300012776694	1	58	0.0	-79.19	450.15	11.26	-67.93
CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776695	0	51	0.0	-72.62	411.93	9.17	-63.45
CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776695	1	51	0.0	-71.75	413.57	9.37	-62.38
CC(NC(=O)NC1(C(=O)[O-])CCSCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776696	0	56	0.0	-78.05	423.19	10.34	-67.71
CC(NC(=O)NC1(C(=O)[O-])CCSCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776696	1	56	0.0	-78.16	425.55	10.59	-67.57
COCC(C)(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776697	0	55	0.0	-79.47	418.38	8.11	-71.36
COCC(C)(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776697	1	55	0.0	-80.14	415.18	8.07	-72.07
CCOCC(C(=O)[O-])N(C)C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776698	0	58	0.0	-74.37	440.45	10.21	-64.16
CCOCC(C(=O)[O-])N(C)C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776698	1	58	0.0	-76.62	439.39	9.88	-66.74
CC(C)CN(CC(=O)[O-])C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776699	0	57	0.0	-62.26	430.08	11.57	-50.69
CC(C)CN(CC(=O)[O-])C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776699	1	57	0.0	-63.51	426.88	11.51	-52.00
CC(NC(=O)N(CC(=O)[O-])C1CC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776700	0	52	0.0	-79.92	394.86	10.63	-69.29
CC(NC(=O)N(CC(=O)[O-])C1CC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776700	1	52	0.0	-79.53	400.83	10.77	-68.76
CC(NC(=O)NC1(C(=O)[O-])CCOC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776701	0	53	0.0	-69.73	403.68	7.24	-62.49
CC(NC(=O)NC1(C(=O)[O-])CCOC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776701	1	53	0.0	-74.77	404.08	7.16	-67.61
CC(NC(=O)NC(C(=O)[O-])C1CCCCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776702	0	61	0.0	-77.96	450.31	10.67	-67.29
CC(NC(=O)NC(C(=O)[O-])C1CCCCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776702	1	61	0.0	-72.65	450.97	10.80	-61.85
CC(NC(=O)NC1(C(=O)[O-])CCOCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776703	0	56	0.0	-81.27	416.93	8.19	-73.08
CC(NC(=O)NC1(C(=O)[O-])CCOCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776703	1	56	0.0	-81.62	419.28	8.42	-73.20
C=CCCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776704	0	55	0.0	-77.90	430.06	9.86	-68.04
C=CCCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776704	1	55	0.0	-74.81	432.54	10.03	-64.78
CC(NC(=O)NC(CF)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776705	0	48	0.0	-66.01	377.78	7.46	-58.55
CC(NC(=O)NC(CF)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776705	1	48	0.0	-65.88	380.26	7.63	-58.25
CC(NC(=O)N(C)C(C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776706	0	51	0.0	-66.24	388.93	9.81	-56.43
CC(NC(=O)N(C)C(C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776706	1	51	0.0	-72.99	386.49	9.54	-63.45
CCC(CC)(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776707	0	57	0.0	-70.02	418.72	10.00	-60.02
CCC(CC)(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776707	1	57	0.0	-71.34	417.77	9.86	-61.48
CCC(C)N(CC(=O)[O-])C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776708	0	57	0.0	-61.30	429.42	11.95	-49.35
CCC(C)N(CC(=O)[O-])C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776708	1	57	0.0	-60.63	428.14	11.95	-48.68
CCC(COC)(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776709	0	58	0.0	-83.62	434.82	9.04	-74.58
CCC(COC)(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776709	1	58	0.0	-76.07	436.06	9.16	-66.91
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776710	0	61	0.0	-74.58	460.73	10.96	-63.62
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776710	1	61	0.0	-76.76	459.66	10.63	-66.13
CC(NC(=O)NC(CC1CC1)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776711	0	55	0.0	-69.54	429.52	10.29	-59.25
CC(NC(=O)NC(CC1CC1)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776711	1	55	0.0	-78.13	428.85	10.15	-67.98
COCCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776712	0	55	0.0	-78.32	429.43	7.59	-70.73
COCCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776712	1	55	0.0	-75.59	432.14	7.69	-67.90
CC(C)CC(C(=O)[O-])N(C)C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776713	0	60	0.0	-75.26	446.20	12.08	-63.18
CC(C)CC(C(=O)[O-])N(C)C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776713	1	60	0.0	-75.35	445.22	11.85	-63.50
CC(NC(=O)NC(CC(F)F)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776714	0	51	0.0	-73.35	406.37	9.06	-64.29
CC(NC(=O)NC(CC(F)F)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776714	1	51	0.0	-70.63	408.84	9.22	-61.41
CCCC1(C(=O)[O-])CCCN1C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776715	0	61	0.0	-84.19	449.44	13.03	-71.16
CCCC1(C(=O)[O-])CCCN1C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776715	1	61	0.0	-87.58	447.81	13.01	-74.57
CCCN(C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012776716	0	57	0.0	-64.55	427.43	11.41	-53.14
CCCN(C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012776716	1	57	0.0	-72.99	430.51	11.99	-61.00
CC(NC(=O)NC(CCF)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776717	0	51	0.0	-76.86	402.34	8.67	-68.19
CC(NC(=O)NC(CCF)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776717	1	51	0.0	-73.75	404.82	8.84	-64.91
CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776718	0	59	0.0	-65.14	438.73	10.18	-54.96
CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776718	1	59	0.0	-61.66	439.15	10.18	-51.48
CC(NC(=O)N(CC(=O)[O-])C1CCCCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776719	0	61	0.0	-49.49	449.57	12.83	-36.66
CC(NC(=O)N(CC(=O)[O-])C1CCCCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776719	1	61	0.0	-65.53	450.12	12.71	-52.82
CC(NC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776720	0	61	0.0	-82.58	440.29	11.18	-71.40
CC(NC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776720	1	61	0.0	-74.26	440.55	11.15	-63.11
CC(NC(=O)NC(C)(CCF)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776721	0	54	0.0	-72.00	406.72	8.97	-63.03
CC(NC(=O)NC(C)(CCF)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776721	1	54	0.0	-72.83	403.52	8.94	-63.89
CC(NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776722	0	56	0.0	-65.90	430.11	11.15	-54.75
CC(NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776722	1	56	0.0	-65.62	431.05	11.44	-54.18
CC(NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776723	0	52	0.0	-71.49	410.53	10.25	-61.24
CC(NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776723	1	52	0.0	-78.61	409.85	10.29	-68.32
CC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776724	0	51	0.0	-73.05	386.57	9.61	-63.44
CC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776724	1	51	0.0	-74.68	388.42	9.64	-65.04
CC(NC(=O)N1CC2CC1(C(=O)[O-])C2)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776725	0	53	0.0	-85.50	400.45	11.04	-74.46
CC(NC(=O)N1CC2CC1(C(=O)[O-])C2)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776725	1	53	0.0	-85.89	404.19	11.48	-74.41
COC1CN(C(=O)NC(C)C2CC[N@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300012776726	0	59	0.0	-81.22	444.66	9.95	-71.27
COC1CN(C(=O)NC(C)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300012776726	1	59	0.0	-84.53	441.95	9.84	-74.69
CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776727	0	57	0.0	-70.72	428.73	9.85	-60.87
CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776727	1	57	0.0	-79.54	429.26	9.75	-69.79
C=C(Cl)CC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776728	0	52	0.0	-74.66	424.46	9.59	-65.07
C=C(Cl)CC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776728	1	52	0.0	-78.04	426.90	9.72	-68.32
C=C(C)CC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776729	0	55	0.0	-76.01	429.59	9.65	-66.36
C=C(C)CC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776729	1	55	0.0	-77.74	431.48	9.86	-67.88
CC(NC(=O)N1C2CCC1(C(=O)[O-])CC2)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776730	0	56	0.0	-90.60	417.54	11.93	-78.67
CC(NC(=O)N1C2CCC1(C(=O)[O-])CC2)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776730	1	56	0.0	-89.43	418.34	11.92	-77.51
CC(NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776731	0	52	0.0	-78.58	409.60	10.26	-68.32
CC(NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776731	1	52	0.0	-77.47	411.06	10.45	-67.02
CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776732	0	52	0.0	-82.61	394.47	9.94	-72.67
CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776732	1	52	0.0	-83.02	403.80	10.20	-72.82
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC(C)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012776733	0	53	0.0	-76.26	410.90	10.72	-65.54
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC(C)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012776733	1	53	0.0	-76.02	410.50	10.58	-65.44
CC(C)C[C@H](NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776734	0	57	0.0	-69.26	436.37	10.10	-59.16
CC(C)C[C@H](NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776734	1	57	0.0	-78.68	437.17	9.94	-68.74
CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776735	0	59	0.0	-76.97	446.00	8.51	-68.46
CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776735	1	59	0.0	-79.35	448.49	8.68	-70.67
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776736	0	55	0.0	-77.69	432.13	10.54	-67.15
CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776736	1	55	0.0	-77.31	434.64	10.70	-66.61
CC(NC(=O)NC(CC1CC1)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776737	0	55	0.0	-69.54	429.52	10.29	-59.25
CC(NC(=O)NC(CC1CC1)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776737	1	55	0.0	-78.13	428.85	10.15	-67.98
CC(C)CCCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776738	0	63	0.0	-77.99	477.81	11.37	-66.62
CC(C)CCCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776738	1	63	0.0	-75.47	480.53	11.47	-64.00
CC(NC(=O)NC(CC1CCCO1)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776739	0	59	0.0	-76.77	452.55	9.59	-67.18
CC(NC(=O)NC(CC1CCCO1)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776739	1	59	0.0	-77.13	450.66	9.53	-67.60
CSCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776740	0	52	0.0	-75.46	419.45	8.89	-66.57
CSCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776740	1	52	0.0	-75.57	421.94	9.05	-66.52
COC[C@H](NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776741	0	52	0.0	-77.35	407.86	6.71	-70.64
COC[C@H](NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776741	1	52	0.0	-77.39	409.08	6.82	-70.57
CC[C@H](NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776742	0	51	0.0	-76.08	396.00	8.47	-67.61
CC[C@H](NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776742	1	51	0.0	-75.96	397.22	8.60	-67.36
CCC(C)CC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776743	0	60	0.0	-78.48	452.68	10.49	-67.99
CCC(C)CC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776743	1	60	0.0	-79.09	455.40	10.63	-68.46
C=CCCCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776744	0	58	0.0	-78.09	451.56	10.64	-67.45
C=CCCCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776744	1	58	0.0	-75.52	454.28	10.74	-64.78
CC(NC(=O)N1CCSCC1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776745	0	53	0.0	-82.02	406.36	11.69	-70.33
CC(NC(=O)N1CCSCC1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776745	1	53	0.0	-84.42	401.43	11.31	-73.11
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776746	0	58	0.0	-79.72	439.96	11.32	-68.40
CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776746	1	58	0.0	-79.66	436.76	11.28	-68.38
CC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776747	0	52	0.0	-85.91	397.03	9.98	-75.93
CC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776747	1	52	0.0	-84.94	391.42	9.97	-74.97
CCCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776748	0	54	0.0	-78.03	417.25	9.30	-68.73
CCCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776748	1	54	0.0	-75.60	419.97	9.40	-66.20
CC(C)[C@@H](NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776749	0	54	0.0	-77.82	410.02	9.06	-68.76
CC(C)[C@@H](NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776749	1	54	0.0	-75.13	409.91	9.04	-66.09
CC(NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776750	0	56	0.0	-90.46	417.26	12.03	-78.43
CC(NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776750	1	56	0.0	-88.47	417.23	12.04	-76.43
CCN(C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012776751	0	57	0.0	-78.33	420.68	11.23	-67.10
CCN(C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300012776751	1	57	0.0	-73.93	421.98	11.41	-62.52
CCCN(C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012776752	0	57	0.0	-64.55	427.43	11.41	-53.14
CCCN(C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012776752	1	57	0.0	-72.99	430.51	11.99	-61.00
CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776753	0	51	0.0	-76.04	400.97	10.56	-65.48
CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776753	1	51	0.0	-67.31	409.79	10.90	-56.41
CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776754	0	51	0.0	-76.04	400.97	10.56	-65.48
CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776754	1	51	0.0	-67.31	409.79	10.90	-56.41
CC(NC(=O)N(C)C(C)(C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776755	0	54	0.0	-78.48	401.18	10.36	-68.12
CC(NC(=O)N(C)C(C)(C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776755	1	54	0.0	-79.61	401.56	10.37	-69.24
CC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776756	0	52	0.0	-82.11	395.78	10.07	-72.04
CC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776756	1	52	0.0	-84.94	397.99	10.33	-74.61
CC(NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776757	0	53	0.0	-85.06	399.15	6.54	-78.52
CC(NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776757	1	53	0.0	-84.16	410.21	6.80	-77.36
CCC[C@@H](NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776758	0	54	0.0	-77.56	419.41	9.49	-68.07
CCC[C@@H](NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776758	1	54	0.0	-75.12	419.72	9.46	-65.66
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776759	0	55	0.0	-79.14	431.93	10.62	-68.52
CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776759	1	55	0.0	-76.86	434.40	10.79	-66.07
C=CCCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776760	0	55	0.0	-77.90	430.06	9.86	-68.04
C=CCCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776760	1	55	0.0	-74.81	432.54	10.03	-64.78
CC(NC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776761	0	56	0.0	-78.65	423.24	9.64	-69.01
CC(NC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776761	1	56	0.0	-77.30	425.02	9.86	-67.44
CC(NC(=O)N1CCC[C@]1(C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776762	0	55	0.0	-81.69	412.82	11.01	-70.68
CC(NC(=O)N1CCC[C@]1(C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776762	1	55	0.0	-85.24	412.36	10.91	-74.33
CC(C)[C@H](NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776763	0	54	0.0	-74.48	410.18	9.02	-65.46
CC(C)[C@H](NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776763	1	54	0.0	-77.06	412.65	9.19	-67.87
CC(NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776764	0	55	0.0	-70.70	433.44	10.84	-59.86
CC(NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776764	1	55	0.0	-79.46	434.60	10.70	-68.76
CC(NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776765	0	58	0.0	-76.34	445.84	9.92	-66.42
CC(NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776765	1	58	0.0	-74.77	442.77	10.00	-64.77
CC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776766	0	51	0.0	-73.05	386.57	9.61	-63.44
CC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776766	1	51	0.0	-74.68	388.42	9.64	-65.04
CCC[C@H](NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776767	0	54	0.0	-75.97	417.49	9.23	-66.74
CCC[C@H](NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776767	1	54	0.0	-75.90	418.72	9.35	-66.55
CCN(C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012776768	0	54	0.0	-70.80	408.70	11.28	-59.52
CCN(C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300012776768	1	54	0.0	-67.32	404.95	10.44	-56.88
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776769	0	58	0.0	-48.99	432.19	12.11	-36.88
CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776769	1	58	0.0	-65.56	432.53	12.04	-53.52
CC(CN(C)C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776770	0	54	0.0	-81.28	408.28	10.24	-71.04
CC(CN(C)C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776770	1	54	0.0	-76.37	408.47	10.08	-66.29
CC[C@H](C)[C@H](NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776771	0	57	0.0	-76.81	427.24	9.43	-67.38
CC[C@H](C)[C@H](NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776771	1	57	0.0	-79.15	429.71	9.60	-69.55
CC[C@@H](C(=O)[O-])N(C)C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776772	0	54	0.0	-72.49	407.47	10.61	-61.88
CC[C@@H](C(=O)[O-])N(C)C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776772	1	54	0.0	-75.61	408.89	10.62	-64.99
CC(NC(=O)NC1(C(=O)[O-])CC(CO)C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776773	0	56	0.0	-82.67	421.72	6.30	-76.37
CC(NC(=O)NC1(C(=O)[O-])CC(CO)C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776773	1	56	0.0	-82.90	430.46	6.57	-76.33
CC(NC(=O)NC1(C(=O)[O-])CCC(C)C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776774	0	58	0.0	-79.39	431.03	10.16	-69.23
CC(NC(=O)NC1(C(=O)[O-])CCC(C)C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776774	1	58	0.0	-82.73	432.60	10.27	-72.46
CC(NC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776775	0	61	0.0	-82.20	443.54	11.20	-71.00
CC(NC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776775	1	61	0.0	-82.00	444.05	11.09	-70.91
COCCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776776	0	55	0.0	-78.32	429.43	7.59	-70.73
COCCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776776	1	55	0.0	-75.59	432.14	7.69	-67.90
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CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776777	1	58	0.0	-83.17	428.99	10.84	-72.33
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CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776798	0	59	0.0	-78.31	451.30	8.63	-69.68
CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776798	1	59	0.0	-77.76	452.46	8.66	-69.10
CC(NC(=O)NC1(C(=O)[O-])COC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776799	0	50	0.0	-74.25	388.57	6.34	-67.91
CC(NC(=O)NC1(C(=O)[O-])COC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776799	1	50	0.0	-76.74	388.80	6.34	-70.40
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CC(NC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776801	1	53	0.0	-87.84	403.17	11.70	-76.14
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CC(NC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776803	0	62	0.0	-80.50	457.20	11.24	-69.26
CC(NC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776803	1	62	0.0	-79.78	459.56	11.42	-68.36
CC(NC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776804	0	62	0.0	-58.69	458.00	12.42	-46.27
CC(NC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776804	1	62	0.0	-62.09	456.97	12.35	-49.74
CC(NC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776805	0	62	0.0	-78.27	455.08	12.44	-65.83
CC(NC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776805	1	62	0.0	-87.20	454.62	12.40	-74.80
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CCC(C(=O)[O-])N(CC)C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776807	1	57	0.0	-67.63	421.95	11.40	-56.23
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CC(NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776809	0	55	0.0	-78.11	423.41	9.92	-68.19
CC(NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776809	1	55	0.0	-77.10	431.34	10.36	-66.74
CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776811	0	52	0.0	-82.61	394.47	9.94	-72.67
CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776811	1	52	0.0	-83.02	403.80	10.20	-72.82
CC(NC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776812	0	54	0.0	-58.08	410.40	11.29	-46.79
CC(NC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776812	1	54	0.0	-60.71	406.35	11.14	-49.57
CC(NC(=O)N1CCC(C)(C)C1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776813	0	58	0.0	-84.44	429.42	11.15	-73.29
CC(NC(=O)N1CCC(C)(C)C1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776813	1	58	0.0	-82.85	431.05	11.37	-71.48
CC(NC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776814	0	62	0.0	-87.95	452.24	13.32	-74.63
CC(NC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776814	1	62	0.0	-84.47	453.13	13.30	-71.17
CC(C)CCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776815	0	60	0.0	-78.26	456.32	10.59	-67.67
CC(C)CCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776815	1	60	0.0	-75.62	459.03	10.69	-64.93
CC(NC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776816	0	59	0.0	-58.17	442.37	11.90	-46.27
CC(NC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776816	1	59	0.0	-44.57	443.33	12.13	-32.44
CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776817	0	59	0.0	-78.31	451.30	8.63	-69.68
CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776817	1	59	0.0	-77.76	452.46	8.66	-69.10
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC(C)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012776818	0	56	0.0	-76.44	438.88	11.62	-64.82
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CC(NC(=O)NC1(C(=O)[O-])CCCC2CC21)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776819	0	59	0.0	-80.45	432.35	11.43	-69.02
CC(NC(=O)NC1(C(=O)[O-])CCCC2CC21)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776819	1	59	0.0	-85.05	431.74	11.32	-73.73
CC(NC(=O)NC1(C(=O)[O-])CCC2CC21)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776820	0	56	0.0	-84.36	420.82	10.73	-73.63
CC(NC(=O)NC1(C(=O)[O-])CCC2CC21)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776820	1	56	0.0	-82.69	420.94	10.35	-72.34
CC(NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776821	0	59	0.0	-81.61	439.77	10.80	-70.81
CC(NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776821	1	59	0.0	-81.99	440.56	10.90	-71.09
CC(NC(=O)NC(C(=O)[O-])C1CCCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776822	0	58	0.0	-77.13	437.40	10.14	-66.99
CC(NC(=O)NC(C(=O)[O-])C1CCCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776822	1	58	0.0	-71.82	433.44	10.12	-61.70
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CC(NC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776824	0	55	0.0	-83.83	420.99	10.51	-73.32
CC(NC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776824	1	55	0.0	-80.81	416.37	10.12	-70.69
CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776825	0	58	0.0	-62.46	452.92	13.29	-49.17
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CC(NC(=O)N1CC(C)(C)CC1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776826	0	58	0.0	-45.92	438.91	11.39	-34.53
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CC(NC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776827	1	55	0.0	-81.43	418.54	11.63	-69.80
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CC(NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776829	1	55	0.0	-82.59	426.82	11.31	-71.28
CC(NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776830	0	59	0.0	-85.49	426.03	11.60	-73.89
CC(NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776830	1	59	0.0	-83.59	435.78	11.95	-71.64
COCCCC(NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776831	0	58	0.0	-77.66	451.17	8.31	-69.35
COCCCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776831	1	58	0.0	-74.67	453.40	8.53	-66.14
CCCC(C(=O)[O-])N(C)C(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776832	0	57	0.0	-74.67	429.82	11.61	-63.06
CCCC(C(=O)[O-])N(C)C(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776832	1	57	0.0	-75.43	429.37	11.38	-64.05
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CCOCC(NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300012776833	1	55	0.0	-77.11	430.45	7.80	-69.31
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CC(NC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776836	0	56	0.0	-86.00	418.42	10.04	-75.96
CC(NC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776836	1	56	0.0	-83.61	417.98	9.80	-73.81
CC(NC(=O)NC(CCC#N)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776837	0	52	0.0	-79.68	416.85	8.97	-70.71
CC(NC(=O)NC(CCC#N)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776837	1	52	0.0	-75.85	419.08	9.20	-66.65
CC(NC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776838	0	55	0.0	-51.51	432.16	11.87	-39.64
CC(NC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776838	1	55	0.0	-63.22	435.83	11.55	-51.67
CC(NC(=O)N(C)[C@H](C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300012776839	0	51	0.0	-72.32	388.43	9.71	-62.61
CC(NC(=O)N(C)[C@H](C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300012776839	1	51	0.0	-75.10	387.18	9.59	-65.51
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC(C)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300012776840	0	59	0.0	-77.67	452.54	10.31	-67.36
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC(C)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300012776840	1	59	0.0	-84.74	451.57	10.46	-74.28
CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777009	1	61	0.0	-79.44	457.82	9.23	-70.21
CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777009	1	61	0.0	-79.36	447.58	8.71	-70.65
C=CC(C)C(NC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777010	1	59	0.0	-76.91	449.77	8.95	-67.96
C=CC(C)C(NC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777010	1	59	0.0	-79.30	434.28	8.30	-71.00
CCCN(CC(=O)[O-])C(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777011	1	58	0.0	-46.96	439.19	10.37	-36.59
CCCN(CC(=O)[O-])C(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777011	1	58	0.0	-65.81	428.29	9.99	-55.82
CCC(NC(=O)NC(C(=O)[O-])C(C)C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777012	1	58	0.0	-69.09	420.93	7.73	-61.36
CCC(NC(=O)NC(C(=O)[O-])C(C)C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777012	1	58	0.0	-68.25	420.29	7.81	-60.44
CCC(NC(=O)N1CCCCC1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777013	1	59	0.0	-82.48	418.21	10.43	-72.05
CCC(NC(=O)N1CCCCC1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777013	1	59	0.0	-82.48	419.56	10.45	-72.03
CCC(NC(=O)N1CCCC1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777014	1	56	0.0	-85.93	408.82	8.76	-77.17
CCC(NC(=O)N1CCCC1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777014	1	56	0.0	-74.42	418.26	9.45	-64.97
CCC(NC(=O)NC1(C(=O)[O-])CCCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777015	1	59	0.0	-80.96	420.73	8.35	-72.61
CCC(NC(=O)NC1(C(=O)[O-])CCCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777015	1	59	0.0	-73.52	434.79	8.84	-64.68
CCC(NC(=O)NCC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777016	1	49	0.0	-64.01	365.62	5.57	-58.44
CCC(NC(=O)NCC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777016	1	49	0.0	-63.22	366.87	5.43	-57.79
CCC(NC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777017	1	55	0.0	-78.86	408.23	7.40	-71.46
CCC(NC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777017	1	55	0.0	-78.81	408.83	7.41	-71.40
CCC(NC(=O)NC(C(=O)[O-])C(C)C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777018	1	58	0.0	-69.09	420.93	7.73	-61.36
CCC(NC(=O)NC(C(=O)[O-])C(C)C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777018	1	58	0.0	-68.25	420.29	7.81	-60.44
CCC(NC(=O)N(C)CC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777019	1	52	0.0	-70.10	385.53	8.11	-61.99
CCC(NC(=O)N(C)CC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777019	1	52	0.0	-77.73	384.97	8.24	-69.49
CCC(NC(=O)NC(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777020	1	52	0.0	-65.21	397.91	6.77	-58.44
CCC(NC(=O)NC(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777020	1	52	0.0	-63.53	387.32	6.34	-57.19
CCC(C)C(NC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777021	1	61	0.0	-70.17	450.99	8.75	-61.42
CCC(C)C(NC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777021	1	61	0.0	-80.13	443.82	8.60	-71.53
CCC(NC(=O)N(C)CC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777022	1	52	0.0	-70.10	385.53	8.11	-61.99
CCC(NC(=O)N(C)CC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777022	1	52	0.0	-77.73	384.97	8.24	-69.49
CCC(NC(=O)N1CCCCC1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777023	1	59	0.0	-82.48	418.21	10.43	-72.05
CCC(NC(=O)N1CCCCC1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777023	1	59	0.0	-82.48	419.56	10.45	-72.03
CCCC(C)(NC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777024	1	61	0.0	-76.62	442.31	8.86	-67.76
CCCC(C)(NC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777024	1	61	0.0	-67.91	434.48	8.42	-59.49
CCC(NC(=O)N(CC(=O)[O-])C(C)C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777025	1	58	0.0	-47.47	430.00	9.96	-37.51
CCC(NC(=O)N(CC(=O)[O-])C(C)C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777025	1	58	0.0	-64.31	417.49	9.42	-54.89
CCC(NC(=O)N(CC(=O)[O-])C1CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777026	1	56	0.0	-71.02	411.91	9.53	-61.49
CCC(NC(=O)N(CC(=O)[O-])C1CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777026	1	56	0.0	-69.58	422.31	10.08	-59.50
C=CCN(CC(=O)[O-])C(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777027	1	56	0.0	-46.75	430.50	10.16	-36.59
C=CCN(CC(=O)[O-])C(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777027	1	56	0.0	-65.46	419.60	9.78	-55.68
CCC(NC(=O)N(CC(=O)[O-])CC(C)C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777028	1	61	0.0	-46.01	449.59	10.56	-35.45
CCC(NC(=O)N(CC(=O)[O-])CC(C)C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777028	1	61	0.0	-58.12	432.87	9.78	-48.34
CCC(NC(=O)NC(C)(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777029	1	55	0.0	-61.74	410.49	7.17	-54.57
CCC(NC(=O)NC(C)(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777029	1	55	0.0	-62.03	400.24	6.65	-55.38
CCC(NC(=O)NC(C)(C(=O)[O-])C1CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777030	1	59	0.0	-78.99	430.91	8.72	-70.27
CCC(NC(=O)NC(C)(C(=O)[O-])C1CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777030	1	59	0.0	-71.33	423.05	8.28	-63.05
CCC(NC(=O)N(CC(=O)[O-])C(C)C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777031	1	58	0.0	-47.47	430.00	9.96	-37.51
CCC(NC(=O)N(CC(=O)[O-])C(C)C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777031	1	58	0.0	-64.31	417.49	9.42	-54.89
CCCN(CC(=O)[O-])C(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777032	1	58	0.0	-46.96	439.19	10.37	-36.59
CCCN(CC(=O)[O-])C(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777032	1	58	0.0	-65.81	428.29	9.99	-55.82
CCC(NC(=O)N(CC)CC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777033	1	55	0.0	-67.48	417.05	9.74	-57.74
CCC(NC(=O)N(CC)CC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777033	1	55	0.0	-68.53	406.79	9.23	-59.30
CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777034	1	61	0.0	-78.25	448.71	8.87	-69.38
CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777034	1	61	0.0	-78.23	438.44	8.35	-69.88
CCC(NC(=O)NC1(C(=O)[O-])CCCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777035	1	59	0.0	-80.96	420.73	8.35	-72.61
CCC(NC(=O)NC1(C(=O)[O-])CCCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777035	1	59	0.0	-73.52	434.79	8.84	-64.68
CCC(NC(=O)NC(C)(CC)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777036	1	58	0.0	-76.29	420.82	8.10	-68.19
CCC(NC(=O)NC(C)(CC)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777036	1	58	0.0	-67.72	412.96	7.67	-60.05
CCC(NC(=O)N[C@@H](C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777037	1	52	0.0	-66.08	397.30	6.90	-59.18
CCC(NC(=O)N[C@@H](C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777037	1	52	0.0	-66.45	386.86	6.41	-60.04
CCC(NC(=O)N(CC)CC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777038	1	55	0.0	-67.48	417.05	9.74	-57.74
CCC(NC(=O)N(CC)CC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777038	1	55	0.0	-68.53	406.79	9.23	-59.30
CCC(NC(=O)N[C@H](C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777039	1	52	0.0	-65.56	398.24	6.73	-58.83
CCC(NC(=O)N[C@H](C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777039	1	52	0.0	-65.37	387.65	6.25	-59.12
CCC(NC(=O)NC1(C(=O)[O-])CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777040	1	53	0.0	-80.97	391.17	7.41	-73.56
CCC(NC(=O)NC1(C(=O)[O-])CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777040	1	53	0.0	-82.96	392.41	7.27	-75.69
CCC(NC(=O)N1CCOCC1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777041	1	57	0.0	-79.80	408.53	7.69	-72.11
CCC(NC(=O)N1CCOCC1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777041	1	57	0.0	-82.42	410.02	7.62	-74.80
CCC(NC(=O)NC(C(=O)[O-])C1CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777042	1	56	0.0	-79.03	428.86	8.45	-70.58
CCC(NC(=O)NC(C(=O)[O-])C1CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777042	1	56	0.0	-80.02	415.86	7.76	-72.26
CCC(NC(=O)N(CCOC)CC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777043	1	59	0.0	-47.66	449.07	8.79	-38.87
CCC(NC(=O)N(CCOC)CC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777043	1	59	0.0	-66.16	438.17	8.40	-57.76
CCC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777044	1	56	0.0	-86.94	420.74	9.29	-77.65
CCC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777044	1	56	0.0	-76.21	409.81	8.91	-67.30
CCC(NC(=O)N1CCCC[C@@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777045	1	59	0.0	-81.56	417.00	10.11	-71.45
CCC(NC(=O)N1CCCC[C@@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777045	1	59	0.0	-84.49	429.72	10.58	-73.91
CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777046	1	55	0.0	-65.12	409.64	8.88	-56.24
CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777046	1	55	0.0	-73.07	400.50	8.34	-64.73
CCC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777047	1	56	0.0	-75.25	407.88	8.91	-66.34
CCC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777047	1	56	0.0	-77.98	409.13	8.76	-69.22
CCC(NC(=O)NC1(C(=O)[O-])CCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777048	1	56	0.0	-81.30	407.21	7.92	-73.38
CCC(NC(=O)NC1(C(=O)[O-])CCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777048	1	56	0.0	-73.04	419.75	8.52	-64.52
C=CCC(NC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777049	1	56	0.0	-78.20	421.27	7.92	-70.28
C=CCC(NC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777049	1	56	0.0	-78.20	422.14	7.85	-70.35
CCC(NC(=O)N1CCCC1(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777050	1	59	0.0	-84.47	433.86	10.26	-74.21
CCC(NC(=O)N1CCCC1(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777050	1	59	0.0	-73.69	424.73	9.77	-63.92
CCC(NC(=O)NC(C(=O)[O-])C1CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777051	1	56	0.0	-79.03	428.86	8.45	-70.58
CCC(NC(=O)NC(C(=O)[O-])C1CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777051	1	56	0.0	-80.02	415.86	7.76	-72.26
CCC(NC(=O)N(C)C(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777052	1	55	0.0	-65.44	409.69	8.80	-56.64
CCC(NC(=O)N(C)C(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777052	1	55	0.0	-73.91	400.17	8.53	-65.38
CCCCC(NC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777053	1	61	0.0	-78.38	450.99	9.01	-69.37
CCCCC(NC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777053	1	61	0.0	-68.84	451.83	8.95	-59.89
CCC(NC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777054	1	59	0.0	-75.35	435.58	10.17	-65.18
CCC(NC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777054	1	59	0.0	-84.15	423.53	9.72	-74.43
CCC(NC(=O)NC(COC)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777055	1	56	0.0	-80.20	420.09	5.65	-74.55
CCC(NC(=O)NC(COC)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777055	1	56	0.0	-80.23	420.68	5.64	-74.59
CCC(NC(=O)N(C(C)C(=O)[O-])C1CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777056	1	59	0.0	-64.17	425.45	9.71	-54.46
CCC(NC(=O)N(C(C)C(=O)[O-])C1CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777056	1	59	0.0	-65.61	435.43	10.36	-55.25
CCC(NC(=O)NC(C)(COC)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777057	1	59	0.0	-80.99	439.06	7.39	-73.60
CCC(NC(=O)NC(C)(COC)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777057	1	59	0.0	-80.81	428.69	6.86	-73.95
CCC(NC(=O)N(CC(=O)[O-])CC(C)C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777058	1	61	0.0	-46.01	449.59	10.56	-35.45
CCC(NC(=O)N(CC(=O)[O-])CC(C)C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777058	1	61	0.0	-58.12	432.87	9.78	-48.34
CCC(NC(=O)N(CC(=O)[O-])C1CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777059	1	56	0.0	-71.02	411.91	9.53	-61.49
CCC(NC(=O)N(CC(=O)[O-])C1CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777059	1	56	0.0	-69.58	422.31	10.08	-59.50
CCC(NC(=O)NC1(C(=O)[O-])CCOC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777060	1	57	0.0	-76.69	412.76	5.60	-71.09
CCC(NC(=O)NC1(C(=O)[O-])CCOC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777060	1	57	0.0	-75.65	421.92	6.25	-69.40
C=CCCC(NC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777061	1	59	0.0	-78.33	442.30	8.79	-69.54
C=CCCC(NC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777061	1	59	0.0	-78.28	443.14	8.73	-69.55
CCC(NC(=O)NC(CF)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777062	1	52	0.0	-63.14	390.02	6.40	-56.74
CCC(NC(=O)NC(CF)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777062	1	52	0.0	-63.37	390.61	6.40	-56.97
CCC(NC(=O)N(C)C(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777063	1	55	0.0	-65.44	409.69	8.80	-56.64
CCC(NC(=O)N(C)C(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777063	1	55	0.0	-73.91	400.17	8.53	-65.38
CCC(NC(=O)NC(CC)(CC)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777064	1	61	0.0	-77.87	426.28	8.47	-69.40
CCC(NC(=O)NC(CC)(CC)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777064	1	61	0.0	-68.51	429.35	8.56	-59.95
CCC(C)N(CC(=O)[O-])C(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777065	1	61	0.0	-49.09	436.88	10.56	-38.53
CCC(C)N(CC(=O)[O-])C(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777065	1	61	0.0	-65.13	437.58	10.55	-54.58
CCC(NC(=O)NC(CC1CC1)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777066	1	59	0.0	-68.07	450.54	9.36	-58.71
CCC(NC(=O)NC(CC1CC1)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777066	1	59	0.0	-68.22	440.75	8.90	-59.32
CCC(NC(=O)NC(CCOC)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777067	1	59	0.0	-67.90	452.80	6.98	-60.92
CCC(NC(=O)NC(CCOC)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777067	1	59	0.0	-69.01	442.50	6.47	-62.54
CCC(NC(=O)NC(CC(F)F)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777068	1	55	0.0	-78.02	420.34	7.75	-70.27
CCC(NC(=O)NC(CC(F)F)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777068	1	55	0.0	-64.51	419.46	7.93	-56.58
CCCN(C(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300012777069	1	61	0.0	-71.88	440.61	10.62	-61.26
CCCN(C(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300012777069	1	61	0.0	-41.92	435.71	10.77	-31.15
CCC(NC(=O)NC(CCF)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777070	1	55	0.0	-77.94	414.83	7.54	-70.40
CCC(NC(=O)NC(CCF)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777070	1	55	0.0	-77.92	415.41	7.55	-70.37
CCC(NC(=O)NC(C)(CCF)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777071	1	58	0.0	-73.60	427.41	8.24	-65.36
CCC(NC(=O)NC(C)(CCF)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777071	1	58	0.0	-73.46	417.04	7.72	-65.74
CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777072	1	55	0.0	-73.79	410.46	9.06	-64.73
CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777072	1	55	0.0	-74.64	398.94	8.47	-66.17
CCC(NC(=O)N1CC2CC1(C(=O)[O-])C2)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777073	1	57	0.0	-85.69	414.41	9.81	-75.88
CCC(NC(=O)N1CC2CC1(C(=O)[O-])C2)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777073	1	57	0.0	-84.71	425.24	10.35	-74.36
CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777074	1	61	0.0	-68.63	448.94	8.92	-59.71
CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777074	1	61	0.0	-80.18	439.65	8.51	-71.67
C=C(C)CC(NC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777075	1	59	0.0	-80.00	441.37	8.71	-71.29
C=C(C)CC(NC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777075	1	59	0.0	-79.02	442.68	8.60	-70.42
CCC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777076	1	56	0.0	-72.50	414.39	8.98	-63.52
CCC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777076	1	56	0.0	-84.00	425.68	9.37	-74.63
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC(CC)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300012777077	1	57	0.0	-85.75	422.06	9.24	-76.51
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC(CC)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300012777077	1	57	0.0	-85.80	423.15	9.34	-76.46
CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777078	1	61	0.0	-79.44	457.82	9.23	-70.21
CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777078	1	61	0.0	-79.36	447.58	8.71	-70.65
CCC(NC(=O)NC(CC1CC1)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777079	1	59	0.0	-68.07	450.54	9.36	-58.71
CCC(NC(=O)NC(CC1CC1)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777079	1	59	0.0	-68.22	440.75	8.90	-59.32
CCC(NC(=O)NC(CSC)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777080	1	56	0.0	-75.12	431.93	7.75	-67.37
CCC(NC(=O)NC(CSC)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777080	1	56	0.0	-74.17	431.62	7.86	-66.31
CCC(NC(=O)N[C@@H](COC)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777081	1	56	0.0	-79.94	430.85	6.20	-73.74
CCC(NC(=O)N[C@@H](COC)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777081	1	56	0.0	-79.66	420.25	5.65	-74.01
CCC(NC(=O)N[C@@H](CC)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777082	1	55	0.0	-78.80	419.12	7.93	-70.87
CCC(NC(=O)N[C@@H](CC)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777082	1	55	0.0	-77.93	408.04	7.43	-70.50
CCC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777083	1	56	0.0	-86.94	420.74	9.29	-77.65
CCC(NC(=O)N1CCC[C@@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777083	1	56	0.0	-76.21	409.81	8.91	-67.30
CCCC(NC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777084	1	58	0.0	-68.79	429.73	8.17	-60.62
CCCC(NC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777084	1	58	0.0	-68.93	430.33	8.17	-60.76
CCC(NC(=O)N[C@@H](C(=O)[O-])C(C)C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777085	1	58	0.0	-66.75	434.25	8.53	-58.22
CCC(NC(=O)N[C@@H](C(=O)[O-])C(C)C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777085	1	58	0.0	-69.10	420.98	7.74	-61.36
CCC(NC(=O)N(CC)C(C)(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777086	1	61	0.0	-70.48	443.81	10.62	-59.86
CCC(NC(=O)N(CC)C(C)(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777086	1	61	0.0	-74.70	434.41	9.93	-64.77
CCCN(C(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300012777087	1	61	0.0	-71.88	440.61	10.62	-61.26
CCCN(C(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300012777087	1	61	0.0	-41.92	435.71	10.77	-31.15
CCC(NC(=O)N(C)C(C)(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777088	1	58	0.0	-74.04	414.64	9.06	-64.98
CCC(NC(=O)N(C)C(C)(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777088	1	58	0.0	-74.23	414.62	9.09	-65.14
CCC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777089	1	56	0.0	-75.25	407.88	8.91	-66.34
CCC(NC(=O)N1CCC[C@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777089	1	56	0.0	-77.98	409.13	8.76	-69.22
CCC(NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777090	1	57	0.0	-87.66	418.65	5.58	-82.08
CCC(NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777090	1	57	0.0	-78.92	431.95	5.89	-73.03
CCC[C@@H](NC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777091	1	58	0.0	-78.74	441.25	8.56	-70.18
CCC[C@@H](NC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777091	1	58	0.0	-78.28	430.73	8.09	-70.19
C=CCCC(NC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777092	1	59	0.0	-78.33	442.30	8.79	-69.54
C=CCCC(NC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777092	1	59	0.0	-78.28	443.14	8.73	-69.55
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CCC(NC(=O)N[C@H](C(=O)[O-])C(C)C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777094	1	58	0.0	-77.23	423.04	7.95	-69.28
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CCC(NC(=O)N(C)[C@@H](C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777095	1	55	0.0	-74.64	398.94	8.47	-66.17
CCC[C@H](NC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777096	1	58	0.0	-78.10	439.79	8.71	-69.39
CCC[C@H](NC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777096	1	58	0.0	-78.04	429.54	8.20	-69.84
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CCC(NC(=O)NC(CCOC)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777101	1	59	0.0	-69.01	442.50	6.47	-62.54
CCC(NC(=O)NC(C(=O)[O-])C1(C)CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777102	1	59	0.0	-80.67	441.22	9.13	-71.54
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CCC(NC(=O)NC(C(=O)[O-])C1CCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777105	1	59	0.0	-79.93	435.76	8.44	-71.49
CCC(NC(=O)N1CCC(C)C1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777106	1	59	0.0	-85.93	428.00	9.54	-76.39
CCC(NC(=O)N1CCC(C)C1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777106	1	59	0.0	-87.49	427.01	9.28	-78.21
C=CCC(NC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777107	1	56	0.0	-78.20	421.27	7.92	-70.28
C=CCC(NC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777107	1	56	0.0	-78.20	422.14	7.85	-70.35
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CCC(NC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777115	1	59	0.0	-78.85	431.39	8.99	-69.86
CCCC(C(=O)[O-])N(C)C(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777116	1	61	0.0	-66.88	442.38	10.19	-56.69
CCCC(C(=O)[O-])N(C)C(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777116	1	61	0.0	-75.89	440.73	10.33	-65.56
CCOCC(NC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777117	1	59	0.0	-80.57	441.94	6.63	-73.94
CCOCC(NC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300012777117	1	59	0.0	-80.60	442.54	6.62	-73.98
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CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300012777119	1	55	0.0	-65.12	409.64	8.88	-56.24
CCC(NC(=O)N(C)[C@H](C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300012777119	1	55	0.0	-73.07	400.50	8.34	-64.73
CCC1=CN=CC=C1C(C)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012777441	0	58	0.0	-62.60	437.35	7.65	-54.95
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COCCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(C)O1	REAL300012780127	0	60	0.0	-67.66	468.74	7.18	-60.48
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCOC1	REAL300012780371	0	57	0.0	-63.02	416.71	5.95	-57.07
C=CCOCC(NC(=O)NC(C)C1=CC[N@H+](C)CC1)C(=O)[O-]	REAL300012780479	0	47	0.0	-77.86	373.71	5.43	-72.43
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CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1=CC[N@H+](C)CC1	REAL300012780482	0	46	0.0	-72.02	386.12	8.36	-63.66
CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1=CC[N@@H+](C)CC1	REAL300012780482	1	46	0.0	-77.38	386.55	8.44	-68.94
COC1CCN(C(=O)NC(C)C2=CC[N@H+](C)CC2)C(C(=O)[O-])C1	REAL300012780483	0	50	0.0	-92.41	369.74	7.54	-84.87
COC1CCN(C(=O)NC(C)C2=CC[N@@H+](C)CC2)C(C(=O)[O-])C1	REAL300012780483	1	50	0.0	-92.99	368.33	7.96	-85.03
CC(NC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CC[N@H+](C)CC1	REAL300012780484	0	50	0.0	-76.32	372.63	5.46	-70.86
CC(NC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CC[N@@H+](C)CC1	REAL300012780484	1	50	0.0	-75.92	371.61	5.54	-70.38
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CC(NC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1=CC[N@@H+](C)CC1	REAL300012780493	1	52	0.0	-62.77	423.64	11.55	-51.22
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CC1CCN(C(=O)NC2CCC[N@@H+]3CCSCC23)C1C(=O)[O-]	REAL300012793275	0	47	0.0	-85.76	352.85	8.80	-76.96
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CCOCC(NC(=O)NC1CCC[N@@H+]2CCSCC12)C(=O)[O-]	REAL300012793348	0	47	0.0	-78.48	366.44	5.85	-72.63
CCOCC(NC(=O)NC1CCC[N@H+]2CCSCC12)C(=O)[O-]	REAL300012793348	1	47	0.0	-76.73	370.72	5.35	-71.38
CC(C)(C)CC(NC(=O)NC1CCC[N@@H+]2CCSCC12)C(=O)[O-]	REAL300012793349	0	52	0.0	-75.85	383.59	9.03	-66.82
CC(C)(C)CC(NC(=O)NC1CCC[N@H+]2CCSCC12)C(=O)[O-]	REAL300012793349	1	52	0.0	-75.59	388.00	8.49	-67.10
O=C(NC(C(=O)[O-])C1CCCCO1)NC1CCC[N@@H+]2CCSCC12	REAL300012793350	0	51	0.0	-79.58	384.56	7.16	-72.42
O=C(NC(C(=O)[O-])C1CCCCO1)NC1CCC[N@H+]2CCSCC12	REAL300012793350	1	51	0.0	-78.21	380.60	6.77	-71.44
O=C([O-])C1(NC(=O)NC2CCC[N@@H+]3CCSCC23)CC2=CC=CC=C2C1	REAL300012793351	0	51	0.0	-80.63	388.22	10.00	-70.63
O=C([O-])C1(NC(=O)NC2CCC[N@H+]3CCSCC23)CC2=CC=CC=C2C1	REAL300012793351	1	51	0.0	-77.19	391.29	9.29	-67.90
C[C@H]1OCCN(C(=O)NC2CCC[N@@H+]3CCSCC23)[C@@H]1C(=O)[O-]	REAL300012793352	0	48	0.0	-82.08	358.49	7.52	-74.56
C[C@H]1OCCN(C(=O)NC2CCC[N@H+]3CCSCC23)[C@@H]1C(=O)[O-]	REAL300012793352	1	48	0.0	-82.06	358.56	7.57	-74.49
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CCC[N@@H+]2CCSCC12	REAL300012793353	0	50	0.0	-76.71	378.44	8.95	-67.76
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CCC[N@H+]2CCSCC12	REAL300012793353	1	50	0.0	-76.36	378.50	8.98	-67.38
N#CCCC(NC(=O)NC1CCC[N@@H+]2CCSCC12)C(=O)[O-]	REAL300012793354	0	44	0.0	-76.02	352.75	7.16	-68.86
N#CCCC(NC(=O)NC1CCC[N@H+]2CCSCC12)C(=O)[O-]	REAL300012793354	1	44	0.0	-76.11	357.16	6.61	-69.50
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CCC[N@@H+]2CCSCC12	REAL300012793355	0	47	0.0	-56.53	371.32	9.59	-46.94
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CCC[N@H+]2CCSCC12	REAL300012793355	1	47	0.0	-65.61	370.13	8.80	-56.81
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CCC[N@@H+]2CCSCC12	REAL300012793356	0	58	0.0	-85.06	398.28	9.95	-75.11
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CCC[N@H+]2CCSCC12	REAL300012793356	1	58	0.0	-86.09	404.72	10.10	-75.99
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CCC[N@@H+]2CCSCC12	REAL300012793357	0	49	0.0	-73.20	402.95	8.27	-64.93
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CCC[N@H+]2CCSCC12	REAL300012793357	1	49	0.0	-75.51	407.15	7.82	-67.69
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCC[N@@H+]2CCSCC12	REAL300012793358	0	43	0.0	-72.49	323.76	7.70	-64.79
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCC[N@H+]2CCSCC12	REAL300012793358	1	43	0.0	-71.58	328.16	7.16	-64.42
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCC[N@@H+]3CCSCC23)C1	REAL300012793359	0	51	0.0	-80.61	390.99	7.93	-72.68
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCC[N@H+]3CCSCC23)C1	REAL300012793359	1	51	0.0	-80.80	385.80	8.55	-72.25
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3CCCC32)CC1	REAL300012793744	0	54	0.0	-61.70	395.82	7.58	-54.12
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CN(CC3CCC3)N=C2)CC1	REAL300012794002	0	60	0.0	-67.72	463.42	8.16	-59.56
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC(C#N)=CS2)CC1	REAL300012794261	0	47	0.0	-61.98	396.75	4.78	-57.20
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C2CC2)CC1	REAL300012794464	0	56	0.0	-61.74	412.35	7.89	-53.85
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C2CCOCC2)CC1	REAL300012794717	0	63	0.0	-59.36	443.90	6.69	-52.67
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCC(C)(C)CO2)CC1	REAL300012795512	0	63	0.0	-64.30	464.07	7.43	-56.87
COC1=C(Cl)C=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012795828	0	54	0.0	-62.41	434.00	7.86	-54.55
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3CC2CO3)CC1	REAL300012796084	0	58	0.0	-62.32	415.96	6.09	-56.23
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC(C3CC3)O2)CC1	REAL300012796331	0	58	0.0	-63.54	440.91	7.01	-56.53
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=N1	REAL300012796908	0	52	0.0	-67.06	405.07	6.66	-60.40
CCCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012797562	0	59	0.0	-58.45	438.78	9.16	-49.29
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(OC)C=C1	REAL300012797868	0	60	0.0	-58.58	446.78	7.70	-50.88
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CN=C1	REAL300012798103	0	52	0.0	-65.22	403.59	6.45	-58.77
CCOC1=CC=C(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012798833	0	60	0.0	-63.95	460.02	8.48	-55.47
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=NN=C2CCCN21	REAL300012799123	0	56	0.0	-74.31	431.97	7.61	-66.70
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012799377	0	56	0.0	-58.39	417.28	8.41	-49.98
COC1=CC=C(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012799654	0	57	0.0	-62.91	438.15	7.57	-55.34
CC1=CC=C(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)=C1	REAL300012799941	0	59	0.0	-66.16	447.31	9.86	-56.30
CCOC1=CC=CC=C1C(C)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012800247	0	60	0.0	-65.61	457.81	8.58	-57.03
CC1=CC=C(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1C	REAL300012800832	0	59	0.0	-63.14	447.08	9.46	-53.68
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3CCC(C2)S3)CC1	REAL300012801683	0	55	0.0	-63.82	408.77	7.62	-56.20
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CCCC3=CC=CN=C32)CC1	REAL300012801964	0	56	0.0	-65.60	422.68	7.47	-58.13
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2CCCC3=CC=CN=C32)CC1	REAL300012802252	0	56	0.0	-69.78	423.93	7.64	-62.14
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2C3CCC(C3)C2(C)C)CC1	REAL300012803039	0	63	0.0	-58.67	440.68	8.50	-50.17
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCN2N=CC3=CC=CC=C32)CC1	REAL300012803344	0	56	0.0	-68.48	441.00	7.60	-60.88
CC1=CC=C(F)C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012803604	0	53	0.0	-67.97	418.27	8.10	-59.87
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC23CCOCC3)CC1	REAL300012803898	0	64	0.0	-63.67	457.83	7.23	-56.44
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CCC3=CC(F)=CC=C32)CC1	REAL300012804451	0	54	0.0	-65.50	419.50	8.65	-56.85
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCS(=O)(=O)N2)CC1	REAL300012804738	0	52	0.0	-78.05	408.40	1.01	-77.04
COCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCCO1	REAL300012805135	0	58	0.0	-60.04	431.36	4.89	-55.15
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CCC(C2)C(=O)N3)CC1	REAL300012805388	0	55	0.0	-65.87	418.92	3.96	-61.91
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2CCC3=CC(F)=CC=C32)CC1	REAL300012805662	0	54	0.0	-61.05	420.54	8.72	-52.33
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2COCC(C)(C)O2)CC1	REAL300012806654	0	58	0.0	-63.54	434.76	4.96	-58.58
CN1C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCS1(=O)=O	REAL300012807261	0	55	0.0	-66.99	419.85	2.77	-64.22
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOC2CCC2)CC1	REAL300012807510	0	57	0.0	-59.51	430.24	6.36	-53.15
CC1=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CO1	REAL300012807733	0	49	0.0	-69.11	388.59	2.74	-66.37
CC(C)C1=NOC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012807939	0	55	0.0	-62.93	429.41	6.68	-56.25
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2(C)CCCC2)CC1	REAL300012808507	0	60	0.0	-62.45	445.76	6.91	-55.54
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC=CC=C2Cl)CC1	REAL300012808757	0	49	0.0	-65.92	400.25	5.99	-59.93
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2(O)CCCCC2)CC1	REAL300012809021	0	60	0.0	-61.66	438.68	5.29	-56.37
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@]2(O)C[C@H]3CC[C@@H]2C3)CC1	REAL300012809271	0	58	0.0	-64.82	424.36	4.66	-60.16
CCOC1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012809567	0	60	0.0	-60.22	458.83	8.18	-52.04
CC1=CC=C(Cl)C=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012809859	0	53	0.0	-63.89	425.04	8.72	-55.17
COCC1=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=NO1	REAL300012810400	0	52	0.0	-67.54	416.41	1.96	-65.58
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC3=NNC=C3C=C2)CC1	REAL300012810681	0	53	0.0	-72.82	417.43	6.13	-66.69
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(F)CC2)CC1	REAL300012810859	0	47	0.0	-65.44	368.49	6.06	-59.38
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012811273	0	49	0.0	-73.02	355.01	5.17	-67.85
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012811273	1	49	0.0	-73.13	355.61	5.15	-67.98
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012811274	0	45	0.0	-64.36	359.72	7.58	-56.78
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012811274	1	45	0.0	-66.88	359.32	7.52	-59.36
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012811275	0	45	0.0	-64.17	369.61	8.03	-56.14
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012811275	1	45	0.0	-66.42	369.21	7.97	-58.45
COC1CCN(C(=O)NCC2CCCC[N@@H+]2C)C(C(=O)[O-])C1	REAL300012811276	0	49	0.0	-80.33	351.89	7.60	-72.73
COC1CCN(C(=O)NCC2CCCC[N@H+]2C)C(C(=O)[O-])C1	REAL300012811276	1	49	0.0	-80.46	351.75	7.63	-72.83
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012811277	0	49	0.0	-64.38	361.04	5.39	-58.99
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012811277	1	49	0.0	-64.53	353.51	4.90	-59.63
CC1=CC(C(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])=CC=C1F	REAL300012811278	0	48	0.0	-63.24	373.99	8.08	-55.16
CC1=CC(C(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])=CC=C1F	REAL300012811278	1	48	0.0	-63.24	373.97	8.08	-55.16
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012811279	0	50	0.0	-65.20	382.96	7.30	-57.90
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012811279	1	50	0.0	-66.89	377.36	6.80	-60.09
CC1=CC(C)=CC(C(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])=C1	REAL300012811280	0	51	0.0	-66.78	390.07	8.71	-58.07
CC1=CC(C)=CC(C(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])=C1	REAL300012811280	1	51	0.0	-67.36	384.28	8.28	-59.08
CC1=CC=C(C(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])C=C1C	REAL300012811281	0	51	0.0	-65.97	385.06	8.61	-57.36
CC1=CC=C(C(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])C=C1C	REAL300012811281	1	51	0.0	-70.61	385.67	8.59	-62.02
COC1=CC=C(C(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])C=C1Cl	REAL300012811282	0	49	0.0	-65.97	392.53	7.31	-58.66
COC1=CC=C(C(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])C=C1Cl	REAL300012811282	1	49	0.0	-62.58	392.16	7.26	-55.32
CC1=CC=CC(C(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])=C1C	REAL300012811283	0	51	0.0	-69.86	373.03	7.94	-61.92
CC1=CC=CC(C(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])=C1C	REAL300012811283	1	51	0.0	-70.07	371.68	7.88	-62.19
COC1=CC=C(C(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])C=C1F	REAL300012811284	0	49	0.0	-66.94	382.72	6.82	-60.12
COC1=CC=C(C(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])C=C1F	REAL300012811284	1	49	0.0	-63.72	382.96	6.76	-56.96
C[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012811285	0	51	0.0	-42.85	401.17	10.60	-32.25
C[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012811285	1	51	0.0	-43.57	406.70	11.12	-32.45
C[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300012811286	0	48	0.0	-54.08	389.28	10.73	-43.35
C[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300012811286	1	48	0.0	-42.75	377.62	9.95	-32.80
CCCN(C(=O)NCC1CCCC[N@@H+]1C)C(COC)C(=O)[O-]	REAL300012811287	0	51	0.0	-64.70	363.57	7.05	-57.65
CCCN(C(=O)NCC1CCCC[N@H+]1C)C(COC)C(=O)[O-]	REAL300012811287	1	51	0.0	-74.34	373.59	8.83	-65.51
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012811288	0	45	0.0	-66.36	363.75	7.98	-58.38
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012811288	1	45	0.0	-66.65	363.95	7.89	-58.76
C[N@@H+]1CCCCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012811289	0	43	0.0	-77.08	321.02	8.34	-68.74
C[N@H+]1CCCCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012811289	1	43	0.0	-77.62	321.34	8.51	-69.11
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012811290	0	51	0.0	-76.04	346.32	8.20	-67.84
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012811290	1	51	0.0	-71.18	340.74	7.68	-63.50
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012811291	0	48	0.0	-71.73	369.29	8.38	-63.35
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012811291	1	48	0.0	-67.96	363.95	7.81	-60.15
C[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012811292	0	48	0.0	-45.41	368.03	10.12	-35.29
C[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012811292	1	48	0.0	-45.41	367.96	10.12	-35.29
C[N@@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012811293	0	45	0.0	-69.94	347.28	7.38	-62.56
C[N@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012811293	1	45	0.0	-65.98	347.27	7.38	-58.60
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012811294	0	45	0.0	-69.56	347.04	7.46	-62.10
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012811294	1	45	0.0	-65.42	347.02	7.46	-57.96
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012811295	0	48	0.0	-71.73	369.29	8.38	-63.35
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012811295	1	48	0.0	-67.96	363.95	7.81	-60.15
C[N@@H+]1CCCCC1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012811296	0	49	0.0	-79.23	358.60	10.38	-68.85
C[N@H+]1CCCCC1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012811296	1	49	0.0	-79.79	354.16	10.19	-69.60
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012811297	0	42	0.0	-63.99	338.89	6.47	-57.52
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012811297	1	42	0.0	-64.57	333.04	6.03	-58.54
C[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012811298	0	48	0.0	-42.82	379.17	10.12	-32.70
C[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012811298	1	48	0.0	-53.21	384.73	10.64	-42.57
C[N@@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012811299	0	52	0.0	-66.33	398.35	8.45	-57.88
C[N@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012811299	1	52	0.0	-72.12	398.58	8.39	-63.73
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCC2CCCC[N@@H+]2C)=C1	REAL300012811300	0	56	0.0	-59.12	420.96	8.44	-50.68
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCC2CCCC[N@H+]2C)=C1	REAL300012811300	1	56	0.0	-49.52	427.09	8.73	-40.79
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012811301	0	45	0.0	-66.24	368.31	8.08	-58.16
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012811301	1	45	0.0	-66.55	368.51	8.00	-58.55
C[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012811302	0	48	0.0	-43.13	368.85	9.66	-33.47
C[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012811302	1	48	0.0	-53.44	374.41	10.19	-43.25
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012811303	0	49	0.0	-73.81	366.66	8.71	-65.10
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012811303	1	49	0.0	-68.82	359.61	8.05	-60.77
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012811304	0	45	0.0	-70.47	357.91	7.58	-62.89
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012811304	1	45	0.0	-67.46	352.51	7.02	-60.44
C[N@@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012811305	0	48	0.0	-68.13	355.08	8.19	-59.94
C[N@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012811305	1	48	0.0	-70.66	355.09	8.14	-62.52
CCCCCCC(C)(NC(=O)NCC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012811306	0	56	0.0	-69.82	395.65	8.26	-61.56
CCCCCCC(C)(NC(=O)NCC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012811306	1	56	0.0	-69.74	395.64	8.25	-61.49
CN(C(=O)NCC1CCCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012811307	0	51	0.0	-65.37	373.03	9.84	-55.53
CN(C(=O)NCC1CCCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012811307	1	51	0.0	-66.45	380.13	10.28	-56.17
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012811308	0	45	0.0	-66.36	363.75	7.98	-58.38
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012811308	1	45	0.0	-66.65	363.95	7.89	-58.76
CN(C(=O)NCC1CCCC[N@@H+]1C)C1(C(=O)[O-])CCCCC1	REAL300012811309	0	51	0.0	-76.76	349.67	8.82	-67.94
CN(C(=O)NCC1CCCC[N@H+]1C)C1(C(=O)[O-])CCCCC1	REAL300012811309	1	51	0.0	-77.33	350.00	8.89	-68.44
C[N@@H+]1CCCCC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012811310	0	51	0.0	-55.93	385.20	10.68	-45.25
C[N@H+]1CCCCC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012811310	1	51	0.0	-44.88	379.63	10.17	-34.71
CN(C(=O)NCC1CCCC[N@@H+]1C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012811311	0	48	0.0	-68.63	356.63	9.61	-59.02
CN(C(=O)NCC1CCCC[N@H+]1C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012811311	1	48	0.0	-74.85	357.49	8.86	-65.99
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012811312	0	49	0.0	-69.75	361.95	8.48	-61.27
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012811312	1	49	0.0	-74.77	356.36	7.94	-66.83
C[N@@H+]1CCCCC1CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012811313	0	52	0.0	-79.09	403.42	8.26	-70.83
C[N@H+]1CCCCC1CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012811313	1	52	0.0	-74.42	397.60	7.82	-66.60
C[N@@H+]1CCCCC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012811314	0	51	0.0	-55.93	385.20	10.68	-45.25
C[N@H+]1CCCCC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012811314	1	51	0.0	-44.88	379.63	10.17	-34.71
CCC1CCC(NC(=O)NCC2CCCC[N@@H+]2C)(C(=O)[O-])CC1	REAL300012811315	0	54	0.0	-74.34	379.67	8.77	-65.57
CCC1CCC(NC(=O)NCC2CCCC[N@H+]2C)(C(=O)[O-])CC1	REAL300012811315	1	54	0.0	-69.36	373.34	8.05	-61.31
C[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012811316	0	49	0.0	-44.97	353.85	7.02	-37.95
C[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012811316	1	49	0.0	-55.72	353.80	7.03	-48.69
C[N@@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012811317	0	48	0.0	-65.86	386.99	9.17	-56.69
C[N@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012811317	1	48	0.0	-60.69	386.96	9.13	-51.56
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012811318	0	45	0.0	-71.75	354.26	7.32	-64.43
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012811318	1	45	0.0	-68.97	354.26	7.34	-61.63
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012811319	0	45	0.0	-75.03	345.88	7.02	-68.01
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012811319	1	45	0.0	-73.08	346.12	6.96	-66.12
C[N@@H+]1CCCCC1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012811320	0	49	0.0	-57.11	362.22	9.81	-47.30
C[N@H+]1CCCCC1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012811320	1	49	0.0	-50.81	356.41	9.31	-41.50
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012811321	0	48	0.0	-67.46	380.03	8.35	-59.11
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012811321	1	48	0.0	-61.93	379.91	8.35	-53.58
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012811322	0	54	0.0	-75.57	413.18	10.38	-65.19
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012811322	1	54	0.0	-69.01	412.95	10.45	-58.56
C[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012811323	0	54	0.0	-70.62	391.22	8.59	-62.03
C[N@H+]1CCCCC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012811323	1	54	0.0	-65.28	391.35	8.53	-56.75
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1C	REAL300012811324	0	51	0.0	-45.16	376.11	10.75	-34.41
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1C	REAL300012811324	1	51	0.0	-45.38	376.16	10.77	-34.61
CC1=CC=C(C(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012811325	0	48	0.0	-69.81	363.08	7.56	-62.25
CC1=CC=C(C(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012811325	1	48	0.0	-69.31	368.02	8.08	-61.23
C[N@@H+]1CCCCC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012811326	0	41	0.0	-63.44	327.04	5.99	-57.45
C[N@H+]1CCCCC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012811326	1	41	0.0	-63.35	321.45	5.49	-57.86
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012811327	0	51	0.0	-67.59	393.26	9.65	-57.94
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012811327	1	51	0.0	-71.29	393.20	9.66	-61.63
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012811328	0	46	0.0	-70.29	338.30	7.18	-63.11
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012811328	1	46	0.0	-66.76	332.73	6.71	-60.05
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1C	REAL300012811329	0	48	0.0	-66.63	348.16	6.27	-60.36
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1C	REAL300012811329	1	48	0.0	-62.88	353.48	6.61	-56.27
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1C	REAL300012811330	0	54	0.0	-40.32	390.53	10.98	-29.34
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCCC[N@H+]1C	REAL300012811330	1	54	0.0	-52.96	387.71	10.57	-42.39
C[N@@H+]1CCCCC1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012811331	0	44	0.0	-52.44	343.44	8.04	-44.40
C[N@H+]1CCCCC1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012811331	1	44	0.0	-41.91	337.86	7.52	-34.39
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012811332	0	51	0.0	-70.94	358.58	7.08	-63.86
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012811332	1	51	0.0	-68.05	359.25	7.01	-61.04
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012811333	0	48	0.0	-62.64	402.94	9.34	-53.30
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012811333	1	48	0.0	-63.35	397.17	8.90	-54.45
CN(C(=O)NCC1CCCC[N@@H+]1C)C(COC1CCC1)C(=O)[O-]	REAL300012811334	0	52	0.0	-67.77	374.80	7.56	-60.21
CN(C(=O)NCC1CCCC[N@H+]1C)C(COC1CCC1)C(=O)[O-]	REAL300012811334	1	52	0.0	-67.95	380.69	8.02	-59.93
C[N@@H+]1CCCCC1CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012811335	0	52	0.0	-76.99	380.76	10.81	-66.18
C[N@H+]1CCCCC1CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012811335	1	52	0.0	-76.94	381.08	10.79	-66.15
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCCC[N@@H+]1C	REAL300012811336	0	51	0.0	-32.45	372.24	10.68	-21.77
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCCC[N@H+]1C	REAL300012811336	1	51	0.0	-39.72	374.09	10.01	-29.71
COC1=CC=C(C(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012811337	0	49	0.0	-69.25	376.10	6.70	-62.55
COC1=CC=C(C(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012811337	1	49	0.0	-69.80	376.73	6.68	-63.12
CCC(COC)(NC(=O)NCC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012811338	0	48	0.0	-75.76	344.58	5.37	-70.39
CCC(COC)(NC(=O)NCC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012811338	1	48	0.0	-75.59	349.92	5.88	-69.71
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1C	REAL300012811339	0	51	0.0	-63.82	367.95	6.93	-56.89
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1C	REAL300012811339	1	51	0.0	-63.55	374.75	7.53	-56.02
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012811340	0	48	0.0	-76.59	357.22	3.55	-73.04
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012811340	1	48	0.0	-70.63	357.14	3.52	-67.11
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@@H+]1C	REAL300012811341	0	51	0.0	-78.08	356.60	8.91	-69.17
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC[N@H+]1C	REAL300012811341	1	51	0.0	-80.57	364.80	9.83	-70.74
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCCC[N@@H+]1C	REAL300012811342	0	51	0.0	-34.49	373.24	11.19	-23.30
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCCC[N@H+]1C	REAL300012811342	1	51	0.0	-37.94	375.49	10.12	-27.82
CCC(NC(=O)NCC1CCCC[N@@H+]1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012811343	0	51	0.0	-68.90	388.69	9.54	-59.36
CCC(NC(=O)NCC1CCCC[N@H+]1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012811343	1	51	0.0	-64.31	388.70	9.54	-54.77
CCC(NC(=O)NCC1CCCC[N@@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012811344	0	51	0.0	-71.76	371.95	9.03	-62.73
CCC(NC(=O)NCC1CCCC[N@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012811344	1	51	0.0	-67.16	371.94	9.02	-58.14
COC1CCCC(C(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])C1	REAL300012811345	0	55	0.0	-67.78	400.29	6.79	-60.99
COC1CCCC(C(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])C1	REAL300012811345	1	55	0.0	-70.40	397.86	6.51	-63.89
COC1(CC(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])CCC1	REAL300012811346	0	52	0.0	-67.32	382.04	6.45	-60.87
COC1(CC(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])CCC1	REAL300012811346	1	52	0.0	-69.36	383.09	6.58	-62.78
C[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012811347	0	49	0.0	-44.97	353.85	7.02	-37.95
C[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012811347	1	49	0.0	-55.72	353.80	7.03	-48.69
C[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012811348	0	51	0.0	-46.15	362.83	9.40	-36.75
C[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012811348	1	51	0.0	-51.71	357.16	8.88	-42.83
C[C@H]1CC[C@@](NC(=O)NCC2CCCC[N@@H+]2C)(C(=O)[O-])CC1	REAL300012811349	0	51	0.0	-68.25	354.41	7.89	-60.36
C[C@H]1CC[C@@](NC(=O)NCC2CCCC[N@H+]2C)(C(=O)[O-])CC1	REAL300012811349	1	51	0.0	-74.61	348.83	7.39	-67.22
COC1=CC=CC(C(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])=C1	REAL300012811350	0	49	0.0	-72.29	371.19	6.16	-66.13
COC1=CC=CC(C(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])=C1	REAL300012811350	1	49	0.0	-68.66	376.75	6.66	-62.00
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012811351	0	45	0.0	-70.78	357.48	7.39	-63.39
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012811351	1	45	0.0	-68.01	357.47	7.39	-60.62
C[N@@H+]1CCCCC1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012811352	0	46	0.0	-51.25	344.89	8.00	-43.25
C[N@H+]1CCCCC1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012811352	1	46	0.0	-54.42	339.31	7.49	-46.93
C[N@@H+]1CCCCC1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012811353	0	42	0.0	-70.38	318.01	6.57	-63.81
C[N@H+]1CCCCC1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012811353	1	42	0.0	-65.94	323.62	7.07	-58.87
COC1=CC=CC([C@H](NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])=C1	REAL300012811354	0	49	0.0	-72.26	371.15	6.17	-66.09
COC1=CC=CC([C@H](NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])=C1	REAL300012811354	1	49	0.0	-69.89	371.16	6.17	-63.72
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2CCCC[N@@H+]2C)C1	REAL300012811355	0	51	0.0	-73.79	376.65	8.17	-65.62
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2CCCC[N@H+]2C)C1	REAL300012811355	1	51	0.0	-71.45	377.17	8.26	-63.19
COC1=CC=CC(CC(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])=C1	REAL300012811356	0	52	0.0	-68.94	393.16	7.18	-61.76
COC1=CC=CC(CC(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])=C1	REAL300012811356	1	52	0.0	-64.00	398.13	7.62	-56.38
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012811357	0	54	0.0	-71.19	368.58	8.39	-62.80
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012811357	1	54	0.0	-71.59	362.93	7.88	-63.71
C[N@@H+]1CCCCC1CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012811358	0	51	0.0	-65.53	383.80	8.52	-57.01
C[N@H+]1CCCCC1CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012811358	1	51	0.0	-69.40	383.76	8.52	-60.88
C[N@@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012811359	0	50	0.0	-76.15	383.31	8.86	-67.29
C[N@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012811359	1	50	0.0	-75.83	377.69	8.32	-67.51
COC1CN(C(=O)NCC2CCCC[N@@H+]2C)C(C)(C(=O)[O-])C1	REAL300012811360	0	49	0.0	-72.53	354.63	6.23	-66.30
COC1CN(C(=O)NCC2CCCC[N@H+]2C)C(C)(C(=O)[O-])C1	REAL300012811360	1	49	0.0	-70.52	360.23	6.75	-63.77
C[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012811361	0	52	0.0	-67.87	378.07	6.89	-60.98
C[N@H+]1CCCCC1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012811361	1	52	0.0	-69.25	376.91	5.64	-63.61
C=C(Cl)CC(NC(=O)NCC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012811362	0	42	0.0	-64.69	339.33	6.49	-58.20
C=C(Cl)CC(NC(=O)NCC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012811362	1	42	0.0	-61.01	333.75	5.98	-55.03
C[N@@H+]1CCCCC1CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012811363	0	51	0.0	-66.29	373.48	8.07	-58.22
C[N@H+]1CCCCC1CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012811363	1	51	0.0	-70.18	373.44	8.08	-62.10
C[N@@H+]1CCCCC1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012811364	0	42	0.0	-67.24	317.28	6.88	-60.36
C[N@H+]1CCCCC1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012811364	1	42	0.0	-70.00	317.24	6.88	-63.12
C[N@@H+]1CCCCC1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012811365	0	52	0.0	-70.62	378.11	6.84	-63.78
C[N@H+]1CCCCC1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012811365	1	52	0.0	-67.93	376.99	5.62	-62.31
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012811366	0	49	0.0	-73.02	355.01	5.17	-67.85
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012811366	1	49	0.0	-73.13	355.61	5.15	-67.98
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012811367	0	45	0.0	-69.56	347.04	7.46	-62.10
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012811367	1	45	0.0	-65.42	347.02	7.46	-57.96
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012811368	0	48	0.0	-65.79	386.31	8.40	-57.39
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012811368	1	48	0.0	-69.47	380.74	7.88	-61.59
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012811369	0	44	0.0	-65.29	356.15	5.48	-59.81
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012811369	1	44	0.0	-65.06	356.01	5.51	-59.55
CC(C)CCCC(NC(=O)NCC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012811370	0	53	0.0	-66.09	387.58	7.64	-58.45
CC(C)CCCC(NC(=O)NCC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012811370	1	53	0.0	-69.47	392.93	8.20	-61.27
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012811371	0	51	0.0	-68.03	399.16	8.79	-59.24
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012811371	1	51	0.0	-64.00	399.38	8.73	-55.27
C[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012811372	0	49	0.0	-74.05	367.29	5.68	-68.37
C[N@H+]1CCCCC1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012811372	1	49	0.0	-68.75	359.75	5.70	-63.05
C[N@@H+]1CCCCC1CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012811373	0	48	0.0	-69.83	375.93	8.38	-61.45
C[N@H+]1CCCCC1CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012811373	1	48	0.0	-64.21	375.69	8.45	-55.76
C[N@@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012811374	0	48	0.0	-66.55	375.94	8.40	-58.15
C[N@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012811374	1	48	0.0	-69.96	370.30	7.89	-62.07
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012811375	0	51	0.0	-69.91	381.48	9.06	-60.85
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012811375	1	51	0.0	-73.63	382.47	9.02	-64.61
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012811376	0	49	0.0	-73.23	385.24	6.85	-66.38
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012811376	1	49	0.0	-71.23	385.47	6.78	-64.45
C[N@@H+]1CCCCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012811377	0	43	0.0	-77.08	321.02	8.34	-68.74
C[N@H+]1CCCCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012811377	1	43	0.0	-77.62	321.34	8.51	-69.11
C[N@@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012811378	0	48	0.0	-68.13	355.08	8.19	-59.94
C[N@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012811378	1	48	0.0	-70.66	355.09	8.14	-62.52
C[N@@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012811379	0	48	0.0	-71.30	376.39	8.82	-62.48
C[N@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012811379	1	48	0.0	-70.68	370.77	8.28	-62.40
C[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012811380	0	41	0.0	-63.93	316.07	7.39	-56.54
C[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012811380	1	41	0.0	-61.03	325.09	7.39	-53.64
C[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012811381	0	41	0.0	-63.93	316.07	7.39	-56.54
C[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012811381	1	41	0.0	-61.03	325.09	7.39	-53.64
C[N@@H+]1CCCCC1CNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012811382	0	54	0.0	-57.02	397.37	5.60	-51.42
C[N@H+]1CCCCC1CNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012811382	1	54	0.0	-46.01	391.77	5.09	-40.92
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC[N@@H+]2C)CC1	REAL300012811383	1	58	0.0	-45.70	416.98	4.96	-40.74
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC[N@H+]2C)CC1	REAL300012811383	1	58	0.0	-56.66	422.57	5.47	-51.19
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CCCC[N@H+]1C	REAL300012811384	0	49	0.0	-78.31	362.84	10.26	-68.05
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CCCC[N@@H+]1C	REAL300012811384	1	49	0.0	-39.67	358.57	9.56	-30.11
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2CCCC[N@@H+]2C)[C@H]1C(=O)[O-]	REAL300012811385	0	52	0.0	-60.98	373.71	10.35	-50.63
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2CCCC[N@H+]2C)[C@H]1C(=O)[O-]	REAL300012811385	1	52	0.0	-54.29	373.74	10.35	-43.94
C[N@@H+]1CCCCC1CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012811386	0	50	0.0	-65.71	367.08	8.56	-57.15
C[N@H+]1CCCCC1CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012811386	1	50	0.0	-68.85	361.45	8.02	-60.83
C[N@@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012811387	0	45	0.0	-69.94	347.28	7.38	-62.56
C[N@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012811387	1	45	0.0	-65.98	347.27	7.38	-58.60
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012811388	0	48	0.0	-66.18	380.42	7.88	-58.30
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012811388	1	48	0.0	-66.24	385.95	8.37	-57.87
C[N@@H+]1CCCCC1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012811389	0	50	0.0	-72.37	387.39	7.33	-65.04
C[N@H+]1CCCCC1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012811389	1	50	0.0	-72.31	381.81	6.82	-65.49
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012811390	0	44	0.0	-62.10	349.87	4.82	-57.28
C[N@H+]1CCCCC1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012811390	1	44	0.0	-67.41	355.80	5.38	-62.03
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300012811391	0	48	0.0	-67.37	383.62	8.43	-58.94
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300012811391	1	48	0.0	-61.69	383.49	8.42	-53.27
C[N@@H+]1CCCCC1CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012811392	0	45	0.0	-62.41	374.80	7.13	-55.28
C[N@H+]1CCCCC1CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012811392	1	45	0.0	-65.89	374.73	7.13	-58.76
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012811393	0	42	0.0	-63.06	359.53	7.08	-55.98
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012811393	1	42	0.0	-63.02	359.54	7.08	-55.94
C[N@@H+]1CCCCC1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012811394	0	45	0.0	-87.37	340.35	4.78	-82.59
C[N@H+]1CCCCC1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012811394	1	45	0.0	-86.61	334.57	4.21	-82.40
CN1CC(C(=O)[O-])N(C(=O)NCC2CCCC[N@@H+]2C)CC1=O	REAL300012811395	0	46	0.0	-70.05	331.97	5.95	-64.10
CN1CC(C(=O)[O-])N(C(=O)NCC2CCCC[N@H+]2C)CC1=O	REAL300012811395	1	46	0.0	-69.95	337.85	6.49	-63.46
C[N@@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012811396	0	45	0.0	-66.04	347.23	7.37	-58.67
C[N@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012811396	1	45	0.0	-69.72	341.64	6.88	-62.84
C[N@@H+]1CCCCC1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012811397	0	48	0.0	-64.51	361.13	6.73	-57.78
C[N@H+]1CCCCC1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012811397	1	48	0.0	-68.35	356.69	6.72	-61.63
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012811398	0	54	0.0	-70.50	390.41	6.49	-64.01
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012811398	1	54	0.0	-66.18	390.96	6.52	-59.66
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012811399	0	51	0.0	-69.99	356.75	7.76	-62.23
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012811399	1	51	0.0	-68.31	356.60	7.79	-60.52
CN(C(=O)NCC1CCCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012811400	0	51	0.0	-65.37	373.03	9.84	-55.53
CN(C(=O)NCC1CCCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012811400	1	51	0.0	-66.45	380.13	10.28	-56.17
CC1CCC(NC(=O)NCC2CCCC[N@@H+]2C)(C(=O)[O-])C2=CC=CC=C21	REAL300012811401	0	55	0.0	-74.34	395.55	9.72	-64.62
CC1CCC(NC(=O)NCC2CCCC[N@H+]2C)(C(=O)[O-])C2=CC=CC=C21	REAL300012811401	1	55	0.0	-76.11	396.27	9.75	-66.36
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012811402	0	54	0.0	-67.37	389.86	6.04	-61.33
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012811402	1	54	0.0	-71.99	395.47	6.54	-65.45
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012811403	0	59	0.0	-79.74	446.62	9.63	-70.11
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012811403	1	59	0.0	-80.16	441.30	9.10	-71.06
C[N@@H+]1CCCCC1CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012811404	0	53	0.0	-58.09	389.50	10.95	-47.14
C[N@H+]1CCCCC1CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012811404	1	53	0.0	-54.45	383.99	10.31	-44.14
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012811405	0	49	0.0	-78.64	373.60	6.95	-71.69
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012811405	1	49	0.0	-73.34	378.94	7.52	-65.82
CC(C1=CC=CC=C1)C(NC(=O)NCC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012811406	0	51	0.0	-68.95	377.95	8.14	-60.81
CC(C1=CC=CC=C1)C(NC(=O)NCC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012811406	1	51	0.0	-71.58	374.44	8.35	-63.23
C[N@@H+]1CCCCC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012811407	0	52	0.0	-69.63	377.93	8.01	-61.62
C[N@H+]1CCCCC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012811407	1	52	0.0	-69.84	372.74	8.63	-61.21
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012811408	0	58	0.0	-74.12	404.55	8.16	-65.96
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012811408	1	58	0.0	-74.45	396.42	7.50	-66.95
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012811409	0	51	0.0	-70.94	358.58	7.08	-63.86
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012811409	1	51	0.0	-68.05	359.25	7.01	-61.04
C[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012811410	0	52	0.0	-68.57	377.50	6.60	-61.97
C[N@H+]1CCCCC1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012811410	1	52	0.0	-73.97	385.31	6.49	-67.48
C[N@@H+]1CCCCC1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012811411	0	52	0.0	-43.74	351.70	8.51	-35.23
C[N@H+]1CCCCC1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012811411	1	52	0.0	-35.60	356.89	9.03	-26.57
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012811412	0	52	0.0	-75.30	355.54	5.82	-69.48
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012811412	1	52	0.0	-70.94	355.51	5.81	-65.13
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012811413	0	51	0.0	-72.09	402.06	9.09	-63.00
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012811413	1	51	0.0	-71.23	407.52	9.63	-61.60
CC1=CC=CC2=C1CCN(C(=O)NCC1CCCC[N@H+]1C)C2C(=O)[O-]	REAL300012811414	0	52	0.0	-50.31	379.63	10.23	-40.08
CC1=CC=CC2=C1CCN(C(=O)NCC1CCCC[N@@H+]1C)C2C(=O)[O-]	REAL300012811414	1	52	0.0	-85.55	369.39	10.33	-75.22
C[N@@H+]1CCCCC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012811415	0	52	0.0	-69.63	377.93	8.01	-61.62
C[N@H+]1CCCCC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012811415	1	52	0.0	-69.84	372.74	8.63	-61.21
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012811416	0	48	0.0	-73.94	375.70	8.45	-65.49
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012811416	1	48	0.0	-66.23	370.07	7.95	-58.28
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012811417	0	42	0.0	-73.78	320.99	6.05	-67.73
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012811417	1	42	0.0	-73.17	320.76	6.04	-67.13
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012811418	0	45	0.0	-63.82	353.28	7.13	-56.69
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012811418	1	45	0.0	-64.52	348.33	6.17	-58.35
C[N@@H+]1CCCCC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012811419	0	41	0.0	-63.44	327.04	5.99	-57.45
C[N@H+]1CCCCC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012811419	1	41	0.0	-63.35	321.45	5.49	-57.86
C[N@@H+]1CCCCC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012811420	0	49	0.0	-67.66	361.19	5.95	-61.71
C[N@H+]1CCCCC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012811420	1	49	0.0	-69.84	360.37	4.86	-64.98
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012811421	0	45	0.0	-69.80	361.79	7.32	-62.48
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012811421	1	45	0.0	-70.98	360.56	7.39	-63.59
COCC(NC(=O)NCC1CCCC[N@@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012811422	0	52	0.0	-65.53	388.23	7.38	-58.15
COCC(NC(=O)NCC1CCCC[N@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012811422	1	52	0.0	-65.43	388.04	7.35	-58.08
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCCC[N@@H+]1C	REAL300012811423	0	51	0.0	-34.49	373.24	11.19	-23.30
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCCC[N@H+]1C	REAL300012811423	1	51	0.0	-37.94	375.49	10.12	-27.82
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012811424	0	48	0.0	-63.55	389.93	8.95	-54.60
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012811424	1	48	0.0	-65.31	385.01	8.50	-56.81
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012811425	0	52	0.0	-70.82	408.78	7.91	-62.91
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012811425	1	52	0.0	-67.04	402.96	7.46	-59.58
C[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012811426	0	54	0.0	-70.62	391.22	8.59	-62.03
C[N@H+]1CCCCC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012811426	1	54	0.0	-65.28	391.35	8.53	-56.75
C[N@@H+]1CCCCC1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012811427	0	51	0.0	-66.80	391.74	9.11	-57.69
C[N@H+]1CCCCC1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012811427	1	51	0.0	-71.02	392.50	9.09	-61.93
C[N@@H+]1CCCCC1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012811428	0	51	0.0	-71.68	392.57	9.10	-62.58
C[N@H+]1CCCCC1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012811428	1	51	0.0	-67.47	386.92	8.59	-58.88
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012811429	0	52	0.0	-73.46	370.54	8.02	-65.44
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012811429	1	52	0.0	-70.95	367.47	7.68	-63.27
C[N@@H+]1CCCCC1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012811430	0	54	0.0	-71.07	391.23	8.59	-62.48
C[N@H+]1CCCCC1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012811430	1	54	0.0	-66.15	385.64	8.08	-58.07
C[N@@H+]1CCCCC1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012811431	0	54	0.0	-65.29	391.44	8.50	-56.79
C[N@H+]1CCCCC1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012811431	1	54	0.0	-70.96	391.43	8.50	-62.46
C[N@@H+]1CCCCC1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012811432	0	52	0.0	-36.71	366.93	8.64	-28.07
C[N@H+]1CCCCC1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012811432	1	52	0.0	-45.91	366.90	8.64	-37.27
C[N@@H+]1CCCCC1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012811433	0	52	0.0	-78.99	369.29	9.11	-69.88
C[N@H+]1CCCCC1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012811433	1	52	0.0	-75.59	364.02	8.61	-66.98
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012811434	0	52	0.0	-73.98	411.36	8.00	-65.98
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012811434	1	52	0.0	-74.21	411.58	7.92	-66.29
COC1=CC=C(CC(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012811435	0	52	0.0	-69.17	393.45	7.11	-62.06
COC1=CC=C(CC(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012811435	1	52	0.0	-73.31	399.03	7.63	-65.68
C=CCSCC(NC(=O)NCC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012811436	0	46	0.0	-66.42	369.08	7.11	-59.31
C=CCSCC(NC(=O)NCC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012811436	1	46	0.0	-65.99	363.27	6.67	-59.32
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012811437	0	49	0.0	-71.43	390.36	8.72	-62.71
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012811437	1	49	0.0	-67.47	384.54	8.27	-59.20
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012811438	0	52	0.0	-85.52	408.93	8.37	-77.15
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012811438	1	52	0.0	-74.66	400.77	8.54	-66.12
COC1=CC=C2NC=C(CC(NC(=O)NCC3CCCC[N@@H+]3C)C(=O)[O-])C2=C1	REAL300012811439	0	56	0.0	-78.51	432.97	7.54	-70.97
COC1=CC=C2NC=C(CC(NC(=O)NCC3CCCC[N@H+]3C)C(=O)[O-])C2=C1	REAL300012811439	1	56	0.0	-84.74	432.98	7.55	-77.19
COC1(C(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])CCC1	REAL300012811440	0	49	0.0	-66.95	359.23	5.08	-61.87
COC1(C(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])CCC1	REAL300012811440	1	49	0.0	-73.77	359.63	5.11	-68.66
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012811441	0	51	0.0	-72.33	366.27	7.62	-64.71
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012811441	1	51	0.0	-72.77	366.18	7.61	-65.16
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012811442	0	52	0.0	-68.51	378.59	9.44	-59.07
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012811442	1	52	0.0	-73.29	378.52	9.44	-63.85
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012811443	0	45	0.0	-78.46	344.14	6.88	-71.58
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012811443	1	45	0.0	-70.47	340.49	6.41	-64.06
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012811445	0	57	0.0	-66.14	417.24	9.22	-56.92
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012811445	1	57	0.0	-65.56	423.47	9.71	-55.85
CC(C)C1=CC=C(C(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012811446	0	54	0.0	-68.94	406.83	9.33	-59.61
CC(C)C1=CC=C(C(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012811446	1	54	0.0	-66.82	401.85	8.80	-58.02
CCOC1=CC=C(C(NC(=O)NCC2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012811447	0	52	0.0	-69.18	397.96	7.63	-61.55
CCOC1=CC=C(C(NC(=O)NCC2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012811447	1	52	0.0	-69.37	398.35	7.68	-61.69
C[N@@H+]1CCCCC1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012811448	0	52	0.0	-79.59	366.95	10.19	-69.40
C[N@H+]1CCCCC1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012811448	1	52	0.0	-79.56	359.89	9.61	-69.95
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012811449	0	52	0.0	-64.59	387.71	9.28	-55.31
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012811449	1	52	0.0	-71.15	385.14	9.71	-61.44
C[N@@H+]1CCCCC1CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012811450	0	52	0.0	-75.80	389.69	8.42	-67.38
C[N@H+]1CCCCC1CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012811450	1	52	0.0	-76.01	384.11	7.91	-68.10
C[N@@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012811451	0	48	0.0	-69.12	383.25	8.37	-60.75
C[N@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012811451	1	48	0.0	-75.10	377.90	7.81	-67.29
C[N@@H+]1CCCCC1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012811452	0	49	0.0	-49.96	358.07	8.72	-41.24
C[N@H+]1CCCCC1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012811452	1	49	0.0	-51.82	359.11	8.64	-43.18
C[N@@H+]1CCCCC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012811453	0	49	0.0	-67.66	361.19	5.95	-61.71
C[N@H+]1CCCCC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012811453	1	49	0.0	-69.84	360.37	4.86	-64.98
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012811454	0	48	0.0	-72.92	390.59	9.00	-63.92
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012811454	1	48	0.0	-66.91	385.19	8.44	-58.47
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC[N@@H+]2C)C1	REAL300012811455	0	46	0.0	-74.51	347.54	7.91	-66.60
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC[N@H+]2C)C1	REAL300012811455	1	46	0.0	-72.79	348.42	7.70	-65.09
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012811456	0	49	0.0	-76.50	346.46	8.15	-68.35
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012811456	1	49	0.0	-76.54	346.40	8.16	-68.38
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012811457	0	49	0.0	-70.99	349.56	7.16	-63.83
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012811457	1	49	0.0	-68.35	354.58	7.64	-60.71
CN(C(=O)NCC1CCCC[N@@H+]1C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012811458	0	51	0.0	-64.83	380.06	10.28	-54.55
CN(C(=O)NCC1CCCC[N@H+]1C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012811458	1	51	0.0	-70.92	378.16	10.25	-60.67
C[N@@H+]1CCCCC1CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012811459	0	55	0.0	-40.16	386.81	9.65	-30.51
C[N@H+]1CCCCC1CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012811459	1	55	0.0	-38.66	386.64	9.63	-29.03
C[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012811460	0	48	0.0	-45.41	368.03	10.12	-35.29
C[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012811460	1	48	0.0	-45.41	367.96	10.12	-35.29
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012811461	0	55	0.0	-70.16	421.44	10.79	-59.37
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012811461	1	55	0.0	-65.93	421.19	10.86	-55.07
C[N@@H+]1CCCCC1CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012811462	0	49	0.0	-73.41	368.88	10.40	-63.01
C[N@H+]1CCCCC1CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012811462	1	49	0.0	-51.77	368.09	9.39	-42.38
C[N@@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012811463	0	51	0.0	-63.40	393.73	9.16	-54.24
C[N@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012811463	1	51	0.0	-63.39	393.74	9.15	-54.24
C[N@@H+]1CCCCC1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012811464	0	45	0.0	-76.33	332.07	8.38	-67.95
C[N@H+]1CCCCC1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012811464	1	45	0.0	-76.06	332.12	8.33	-67.73
C[N@@H+]1CCCCC1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012811465	0	42	0.0	-82.09	322.48	7.05	-75.04
C[N@H+]1CCCCC1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012811465	1	42	0.0	-81.29	315.93	6.85	-74.44
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012811466	0	48	0.0	-73.94	375.70	8.45	-65.49
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012811466	1	48	0.0	-66.23	370.07	7.95	-58.28
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012811467	0	45	0.0	-65.51	360.35	7.23	-58.28
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012811467	1	45	0.0	-65.84	354.47	6.82	-59.02
C[N@@H+]1CCCCC1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012811468	0	45	0.0	-64.95	339.06	7.92	-57.03
C[N@H+]1CCCCC1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012811468	1	45	0.0	-69.72	333.46	7.38	-62.34
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012811469	0	49	0.0	-75.45	374.35	8.06	-67.39
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012811469	1	49	0.0	-70.45	374.15	8.07	-62.38
C[N@@H+]1CCCCC1CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012811470	0	53	0.0	-70.85	391.47	9.14	-61.71
C[N@H+]1CCCCC1CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012811470	1	53	0.0	-76.57	396.91	9.60	-66.97
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012811471	0	45	0.0	-65.51	360.35	7.23	-58.28
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012811471	1	45	0.0	-65.84	354.47	6.82	-59.02
C[N@@H+]1CCCCC1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012811472	0	49	0.0	-79.57	348.22	8.58	-70.99
C[N@H+]1CCCCC1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012811472	1	49	0.0	-76.06	342.70	8.09	-67.97
COCCCC(NC(=O)NCC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012811473	0	48	0.0	-65.04	360.46	4.70	-60.34
COCCCC(NC(=O)NCC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012811473	1	48	0.0	-63.31	365.44	5.15	-58.16
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012811474	0	49	0.0	-66.41	361.85	5.85	-60.56
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012811474	1	49	0.0	-72.72	361.85	5.85	-66.87
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012811475	0	45	0.0	-62.07	368.31	8.08	-53.99
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012811475	1	45	0.0	-65.88	362.35	7.53	-58.35
C[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012811476	0	49	0.0	-73.81	366.66	8.71	-65.10
C[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012811476	1	49	0.0	-68.82	359.61	8.05	-60.77
C[N@@H+]1CCCCC1CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012811477	0	48	0.0	-70.75	346.65	7.72	-63.03
C[N@H+]1CCCCC1CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012811477	1	48	0.0	-68.94	346.55	7.64	-61.30
C[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012811478	0	59	0.0	-67.34	402.05	9.41	-57.93
C[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012811478	1	59	0.0	-69.75	397.40	8.98	-60.77
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012811479	0	51	0.0	-74.38	399.44	8.56	-65.82
C[N@H+]1CCCCC1CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012811479	1	51	0.0	-72.95	394.86	8.67	-64.28
C[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012811480	0	45	0.0	-46.77	349.68	8.26	-38.51
C[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012811480	1	45	0.0	-52.78	344.10	7.73	-45.05
C[N@@H+]1CCCCC1CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012811481	0	56	0.0	-77.50	383.35	8.75	-68.75
C[N@H+]1CCCCC1CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012811481	1	56	0.0	-76.46	382.98	8.77	-67.69
C[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012811482	0	47	0.0	-66.42	381.11	7.04	-59.38
C[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012811482	1	47	0.0	-72.29	375.76	6.47	-65.82
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC[N@@H+]2C)C1	REAL300012811483	0	49	0.0	-76.70	359.39	6.68	-70.02
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC[N@H+]2C)C1	REAL300012811483	1	49	0.0	-74.36	360.10	6.37	-67.99
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2OC(=O)CC23CCC3)CC1	REAL300012811946	0	57	0.0	-62.57	428.10	7.08	-55.49
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)OC(F)F)CC1	REAL300012812422	0	53	0.0	-59.91	398.92	4.79	-55.12
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C2CCCO2)CC1	REAL300012812684	0	60	0.0	-62.50	438.20	6.82	-55.68
COC1=CC(OC)=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012813471	0	56	0.0	-60.35	440.59	1.31	-59.04
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC=C2C2CCC2)CC1	REAL300012813796	0	60	0.0	-63.43	452.68	9.94	-53.49
CC1=NN=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N1	REAL300012814554	0	49	0.0	-64.72	387.18	4.72	-60.00
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC(C)(C)O2)CC1	REAL300012814780	0	60	0.0	-62.71	441.19	6.64	-56.07
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@]23C[C@H]2COC32CCC2)CC1	REAL300012815631	0	59	0.0	-61.89	438.94	7.21	-54.68
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3(C2)COC(C)(C)C3)CC1	REAL300012816218	0	61	0.0	-63.48	455.40	7.12	-56.36
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2COC(C)(C)C2)CC1	REAL300012816438	0	54	0.0	-57.55	402.78	5.13	-52.42
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC=CCl)CC1	REAL300012816578	0	44	0.0	-57.43	355.74	5.33	-52.10
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2CCSCC2)CC1	REAL300012816806	0	58	0.0	-62.17	443.06	6.57	-55.60
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOC2=CC=CC(F)=C2)CC1	REAL300012817924	0	57	0.0	-60.90	443.85	7.60	-53.30
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CCC(CC2)CO3)CC1	REAL300012818180	0	58	0.0	-63.21	424.39	6.51	-56.70
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC3=NON=C3C=C2)CC1	REAL300012818752	0	51	0.0	-65.77	406.38	6.17	-59.60
CC1=NC=CC=C1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012819007	0	55	0.0	-60.26	417.86	6.59	-53.67
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC3=C2OCCO3)CC1	REAL300012819303	0	56	0.0	-66.00	434.55	6.59	-59.41
CC(C)C[C@H](NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819435	0	58	0.0	-72.76	436.40	8.55	-64.21
C=CCOCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819436	0	57	0.0	-72.97	444.62	6.97	-66.00
C=CC(C)C(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819437	0	56	0.0	-68.78	423.29	8.10	-60.68
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012819438	0	60	0.0	-71.06	441.42	7.03	-64.03
COC1CCN(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012819439	0	60	0.0	-81.45	435.39	10.04	-71.41
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)[NH+](C)C)C=C1	REAL300012819440	0	60	0.0	-66.30	439.75	7.88	-58.42
CC1CCN(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)C(C(=O)[O-])C1	REAL300012819441	0	59	0.0	-77.40	420.33	10.42	-66.98
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819442	0	55	0.0	-61.72	416.39	9.71	-52.01
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C1CCC1	REAL300012819443	0	59	0.0	-48.96	427.37	11.10	-37.86
CCCN(C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(COC)C(=O)[O-]	REAL300012819444	0	62	0.0	-70.48	461.13	10.72	-59.76
CCCN(C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(CC)C(=O)[O-]	REAL300012819445	0	61	0.0	-68.90	446.67	11.40	-57.50
CC(C)C(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819446	0	55	0.0	-68.93	414.53	7.75	-61.18
CN(C)C1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819447	0	56	0.0	-78.18	408.61	10.41	-67.77
CN(C)C1=CC=C(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819448	0	54	0.0	-79.22	403.93	10.93	-68.29
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+](C)C)C=C1	REAL300012819449	0	59	0.0	-71.05	423.80	10.26	-60.79
CN(C)C1=CC=C(C(CNC(=O)N2CCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819450	0	53	0.0	-79.26	392.97	9.95	-69.31
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300012819451	0	56	0.0	-71.15	409.28	9.17	-61.98
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)[NH+](C)C)C=C1	REAL300012819452	0	62	0.0	-71.92	430.45	10.95	-60.97
CN(C)C1=CC=C(C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819453	0	59	0.0	-69.52	456.92	10.21	-59.31
CN(C)C1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012819454	0	59	0.0	-43.90	451.90	12.95	-30.95
CN(C)C1=CC=C(C(CNC(=O)NCC(=O)[O-])[NH+](C)C)C=C1	REAL300012819455	0	46	0.0	-62.93	355.88	5.34	-57.59
CN(C)C1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012819456	0	56	0.0	-72.94	434.82	9.24	-63.70
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012819457	0	56	0.0	-68.24	431.06	10.21	-58.03
CCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819458	0	52	0.0	-71.25	396.66	7.18	-64.07
CC(C)C(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819459	0	55	0.0	-68.93	414.53	7.75	-61.18
CN(C)C1=CC=C(C(CNC(=O)N(C)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012819460	0	49	0.0	-68.03	373.61	8.00	-60.03
CN(C)C1=CC=C(C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819461	0	59	0.0	-69.52	456.92	10.21	-59.31
CC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819462	0	49	0.0	-62.69	375.13	6.14	-56.55
CCC(C)C(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819463	0	58	0.0	-69.59	432.48	8.38	-61.21
CN(C)C1=CC=C(C(CNC(=O)N(C)CC(=O)[O-])[NH+](C)C)C=C1	REAL300012819464	0	49	0.0	-68.03	373.61	8.00	-60.03
CN(C)C1=CC=C(C(CNC(=O)N2CCCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819465	0	56	0.0	-78.18	408.61	10.41	-67.77
CCCC(C)(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819466	0	58	0.0	-67.44	422.62	8.29	-59.15
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819467	0	55	0.0	-62.73	405.83	9.28	-53.45
CN(C)C1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012819468	0	53	0.0	-60.23	398.26	9.54	-50.69
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819469	0	53	0.0	-61.62	408.24	9.54	-52.08
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819470	0	58	0.0	-61.67	431.06	10.23	-51.44
CN(C)C1=CC=C(C(CNC(=O)NC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819471	0	52	0.0	-62.32	388.24	6.55	-55.77
CN(C)C1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012819472	0	56	0.0	-68.73	407.92	9.17	-59.56
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)[NH+](C)C)C=C1	REAL300012819473	0	53	0.0	-71.26	426.42	8.34	-62.92
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCCC2)[NH+](C)C)C=C1	REAL300012819474	0	59	0.0	-71.05	423.80	10.26	-60.79
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819475	0	55	0.0	-62.73	405.83	9.28	-53.45
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819476	0	55	0.0	-61.72	416.39	9.71	-52.01
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819477	0	52	0.0	-68.00	394.91	8.96	-59.04
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819478	0	58	0.0	-68.58	429.14	8.18	-60.40
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300012819479	0	56	0.0	-71.15	409.28	9.17	-61.98
CCC(C)(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819480	0	55	0.0	-67.06	401.63	7.55	-59.51
CN(C)C1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012819481	0	59	0.0	-72.25	442.44	10.05	-62.20
C[C@H](NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819482	0	49	0.0	-60.88	373.45	7.05	-53.83
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819483	0	52	0.0	-68.00	394.91	8.96	-59.04
C[C@@H](NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819484	0	49	0.0	-63.83	375.80	6.12	-57.71
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300012819485	0	50	0.0	-74.11	378.90	8.29	-65.82
CN(C)C1=CC=C(C(CNC(=O)N2CCOCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819486	0	54	0.0	-76.81	397.80	8.68	-68.13
CN(C)C1=CC=C(C(CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)[NH+](C)C)C=C1	REAL300012819487	0	62	0.0	-72.74	432.49	11.64	-61.10
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012819488	0	53	0.0	-72.42	404.03	8.60	-63.82
CN(C)C1=CC=C(C(CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012819489	0	59	0.0	-69.00	441.99	12.42	-56.58
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819490	0	56	0.0	-62.79	426.29	8.14	-54.65
CN(C)C1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819491	0	53	0.0	-77.40	396.21	8.74	-68.66
CN(C)C1=CC=C(C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819492	0	56	0.0	-76.61	407.23	10.11	-66.50
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819493	0	52	0.0	-67.17	387.92	8.09	-59.08
CN(C)C1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819494	0	53	0.0	-74.20	395.87	9.08	-65.12
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC2)[NH+](C)C)C=C1	REAL300012819495	0	53	0.0	-72.69	400.06	7.92	-64.77
C=CCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819496	0	53	0.0	-70.87	409.46	7.62	-63.25
CN(C)C1=CC=C(C(CNC(=O)N2CCCC2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819497	0	56	0.0	-79.63	410.43	10.56	-69.07
CN(C)C1=CC=C(C(CNC(=O)N2CCCCCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819498	0	59	0.0	-81.66	417.41	11.61	-70.05
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012819499	0	53	0.0	-72.42	404.03	8.60	-63.82
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819500	0	52	0.0	-65.74	387.49	8.10	-57.64
CCCCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819501	0	58	0.0	-71.25	439.66	8.73	-62.52
CN(C)C1=CC=C(C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819502	0	56	0.0	-72.58	413.52	9.61	-62.97
CN(C)C1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+](C)C)C=C1	REAL300012819503	0	59	0.0	-55.30	428.87	11.48	-43.82
COCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819504	0	53	0.0	-73.02	409.86	5.41	-67.61
CCCCCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819505	0	61	0.0	-71.90	461.99	9.49	-62.41
CN(C)C1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012819506	0	60	0.0	-62.04	441.19	8.90	-53.14
CN(C)C1=CC=C(C(CNC(=O)N(C)C2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300012819507	0	59	0.0	-79.89	419.09	10.80	-69.09
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C1CC1	REAL300012819508	0	56	0.0	-64.06	413.78	9.52	-54.54
CCC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C1CC1	REAL300012819509	0	59	0.0	-58.97	434.37	10.69	-48.28
CC1=CC=C(C(NC(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300012819510	0	59	0.0	-73.17	454.65	10.01	-63.16
CN(C)C1=CC=C(C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819511	0	52	0.0	-66.15	414.42	7.87	-58.28
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCSCC2)[NH+](C)C)C=C1	REAL300012819512	0	57	0.0	-67.57	421.80	10.00	-57.57
COCC(C)(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819513	0	56	0.0	-71.44	419.34	6.82	-64.62
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819514	0	59	0.0	-70.78	439.03	8.54	-62.24
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819515	0	58	0.0	-61.67	431.06	10.23	-51.44
CN(C)C1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300012819516	0	53	0.0	-60.23	398.26	9.54	-50.69
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOC2)[NH+](C)C)C=C1	REAL300012819517	0	54	0.0	-71.44	400.93	6.57	-64.87
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+](C)C)C=C1	REAL300012819518	0	62	0.0	-73.67	448.00	10.43	-63.24
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCOCC2)[NH+](C)C)C=C1	REAL300012819519	0	57	0.0	-70.85	416.23	7.79	-63.06
C=CCCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819520	0	56	0.0	-71.47	431.28	8.48	-62.99
CN(C)C1=CC=C(C(CNC(=O)NC(CF)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819521	0	49	0.0	-60.76	380.28	6.18	-54.58
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819522	0	52	0.0	-65.74	387.49	8.10	-57.64
CCC(CC)(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819523	0	58	0.0	-68.08	419.02	8.45	-59.63
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819524	0	58	0.0	-61.15	426.15	10.31	-50.84
CCC(COC)(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819525	0	59	0.0	-76.51	436.03	7.72	-68.79
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819526	0	62	0.0	-70.71	461.05	9.33	-61.38
CN(C)C1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819527	0	56	0.0	-68.33	428.29	8.71	-59.62
COCCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819528	0	56	0.0	-71.69	431.33	6.26	-65.43
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819529	0	61	0.0	-69.88	446.73	10.67	-59.21
CN(C)C1=CC=C(C(CNC(=O)NC(CC(F)F)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819530	0	52	0.0	-66.95	407.28	7.71	-59.24
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819531	0	62	0.0	-76.10	449.73	11.60	-64.50
CCCN(C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012819532	0	58	0.0	-54.89	428.25	10.60	-44.29
CN(C)C1=CC=C(C(CNC(=O)NC(CCF)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819533	0	52	0.0	-70.64	403.25	7.32	-63.32
CN(C)C1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012819534	0	60	0.0	-62.04	441.19	8.90	-53.14
CN(C)C1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)[NH+](C)C)C=C1	REAL300012819535	0	62	0.0	-61.64	449.29	11.24	-50.40
C[C@H]1CC[C@@](NC(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)(C(=O)[O-])CC1	REAL300012819536	0	62	0.0	-74.75	440.95	9.75	-65.00
CN(C)C1=CC=C(C(CNC(=O)NC(C)(CCF)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819537	0	55	0.0	-67.99	407.70	7.67	-60.32
CN(C)C1=CC=C(C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819538	0	53	0.0	-69.26	409.81	8.96	-60.30
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819539	0	52	0.0	-69.07	388.36	8.24	-60.83
CN(C)C1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)[NH+](C)C)C=C1	REAL300012819540	0	54	0.0	-83.93	400.93	10.68	-73.25
COC1CN(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012819541	0	60	0.0	-71.99	443.97	9.56	-62.43
CN(C)C1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+](C)C)C=C1	REAL300012819542	0	58	0.0	-69.73	427.48	8.26	-61.47
C=C(Cl)CC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819543	0	53	0.0	-72.40	426.76	8.22	-64.18
C=C(C)CC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819544	0	56	0.0	-71.84	432.34	8.38	-63.46
CN(C)C1=CC=C(C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)[NH+](C)C)C=C1	REAL300012819545	0	57	0.0	-86.68	414.45	11.42	-75.26
CN(C)C1=CC=C(C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819546	0	53	0.0	-72.42	406.02	10.12	-62.30
CN(C)C1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819547	0	53	0.0	-76.18	403.02	9.19	-66.99
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)C1	REAL300012819548	0	54	0.0	-79.52	407.25	10.04	-69.48
CC(C)C[C@H](NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819549	0	58	0.0	-72.76	436.40	8.55	-64.21
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)[NH+](C)C)C=C1	REAL300012819550	0	60	0.0	-71.06	441.42	7.03	-64.03
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012819551	0	56	0.0	-68.24	431.06	10.21	-58.03
CN(C)C1=CC=C(C(CNC(=O)NC(CC2CC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819552	0	56	0.0	-68.33	428.29	8.71	-59.62
CC(C)CCCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819553	0	64	0.0	-72.04	480.57	10.02	-62.02
CN(C)C1=CC=C(C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819554	0	60	0.0	-72.52	454.68	7.58	-64.94
CSCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819555	0	53	0.0	-68.23	421.29	7.63	-60.60
COC[C@H](NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819556	0	53	0.0	-74.31	410.81	5.44	-68.87
CC[C@H](NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819557	0	52	0.0	-72.32	394.29	8.06	-64.26
CCC(C)CC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819558	0	61	0.0	-71.45	453.07	9.13	-62.32
C=CCCCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819559	0	59	0.0	-71.35	454.30	9.29	-62.06
CN(C)C1=CC=C(C(CNC(=O)N2CCSCC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819560	0	54	0.0	-79.22	403.93	10.93	-68.29
CN(C)C1=CC=C(C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012819561	0	59	0.0	-72.25	442.44	10.05	-62.20
CN(C)C1=CC=C(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819562	0	53	0.0	-77.40	396.21	8.74	-68.66
CCCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819563	0	55	0.0	-72.16	420.00	7.95	-64.21
CC(C)[C@@H](NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819564	0	55	0.0	-69.96	409.41	7.50	-62.46
CN(C)C1=CC=C(C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])[NH+](C)C)C=C1	REAL300012819565	0	57	0.0	-79.57	417.52	10.68	-68.89
CCN(C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012819566	0	58	0.0	-69.70	422.02	9.94	-59.76
CCCN(C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012819567	0	58	0.0	-54.89	428.25	10.60	-44.29
CN(C)C1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+](C)C)C=C1	REAL300012819568	0	52	0.0	-65.05	411.00	9.49	-55.56
CN(C)C1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)[NH+](C)C)C=C1	REAL300012819569	0	52	0.0	-65.05	411.00	9.49	-55.56
CN(C)C1=CC=C(C(CNC(=O)N(C)C(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819570	0	55	0.0	-70.01	403.00	9.07	-60.94
CN(C)C1=CC=C(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819571	0	53	0.0	-74.20	395.87	9.08	-65.12
CN(C)C1=CC=C(C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819572	0	54	0.0	-76.52	409.71	5.42	-71.10
CCC[C@@H](NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819573	0	55	0.0	-68.81	418.58	8.00	-60.81
CN(C)C1=CC=C(C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012819574	0	56	0.0	-72.94	434.82	9.24	-63.70
C=CCCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819575	0	56	0.0	-71.47	431.28	8.48	-62.99
CN(C)C1=CC=C(C(CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819576	0	57	0.0	-69.27	424.28	8.07	-61.20
CN(C)C1=CC=C(C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819577	0	56	0.0	-76.53	414.49	9.63	-66.90
CC(C)[C@H](NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819578	0	55	0.0	-71.13	406.40	8.38	-62.75
CN(C)C1=CC=C(C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012819579	0	56	0.0	-71.59	430.82	10.17	-61.42
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819580	0	52	0.0	-69.07	388.36	8.24	-60.83
CCC[C@H](NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819581	0	55	0.0	-67.93	417.93	7.98	-59.95
CCN(C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300012819582	0	55	0.0	-65.59	406.20	9.03	-56.56
CN(C)C1=CC=C(C(CNC(=O)N(CC(=O)[O-])C2CCCC2)[NH+](C)C)C=C1	REAL300012819583	0	59	0.0	-55.30	428.87	11.48	-43.82
CC(CN(C)C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819584	0	55	0.0	-72.07	408.73	8.67	-63.40
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819585	0	58	0.0	-68.58	429.14	8.18	-60.40
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819586	0	55	0.0	-65.91	409.59	9.20	-56.71
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)[NH+](C)C)C=C1	REAL300012819587	0	57	0.0	-80.45	429.61	5.08	-75.37
CC1CCC(NC(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012819588	0	59	0.0	-72.07	433.39	8.91	-63.16
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)[NH+](C)C)C=C1	REAL300012819589	0	62	0.0	-75.01	442.57	9.53	-65.48
COCCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819590	0	56	0.0	-71.69	431.33	6.26	-65.43
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)[NH+](C)C)C=C1	REAL300012819591	0	59	0.0	-72.11	435.96	9.59	-62.52
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)[NH+](C)C)C=C1	REAL300012819592	0	56	0.0	-70.84	418.78	8.52	-62.32
CN(C)C1=CC=C(C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819593	0	54	0.0	-80.83	409.69	5.58	-75.25
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCOC2)[NH+](C)C)C=C1	REAL300012819594	0	57	0.0	-69.62	424.09	6.21	-63.41
CN(C)C1=CC=C(C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])[NH+](C)C)C=C1	REAL300012819595	0	57	0.0	-76.93	419.09	10.23	-66.70
CN(C)C1=CC=C(C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)[NH+](C)C)C=C1	REAL300012819596	0	55	0.0	-75.98	411.59	8.01	-67.97
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)C1	REAL300012819597	0	59	0.0	-80.32	426.41	11.89	-68.43
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+](C)C)C=C1	REAL300012819598	0	56	0.0	-72.12	417.29	8.11	-64.01
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)[NH+](C)C)C=C1	REAL300012819599	0	62	0.0	-73.67	448.00	10.43	-63.24
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCC2)[NH+](C)C)C=C1	REAL300012819600	0	56	0.0	-72.12	417.29	8.11	-64.01
CC1CCN(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)C1C(=O)[O-]	REAL300012819601	0	56	0.0	-74.90	410.21	10.13	-64.77
C=CCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819602	0	53	0.0	-70.87	409.46	7.62	-63.25
CN(C)C1=CC=C(C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819603	0	57	0.0	-55.27	420.96	10.11	-45.16
COC1CC(NC(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012819604	0	57	0.0	-71.77	430.67	6.76	-65.01
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)[NH+](C)C)C=C1	REAL300012819605	0	53	0.0	-71.49	404.14	8.84	-62.65
CO[C@H]1C[C@](NC(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)(C(=O)[O-])C1	REAL300012819606	0	57	0.0	-71.87	431.69	6.78	-65.09
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819607	0	59	0.0	-78.91	426.75	10.89	-68.02
CN(C)C1=CC=C(C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819608	0	52	0.0	-66.15	414.42	7.87	-58.28
CN(C)C1=CC=C(C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819609	0	60	0.0	-69.32	447.10	6.92	-62.40
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])COC2)[NH+](C)C)C=C1	REAL300012819610	0	51	0.0	-67.05	386.23	5.81	-61.24
CC(C)C(C)(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819611	0	58	0.0	-68.03	418.36	8.23	-59.80
CN(C)C1=CC=C(C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819612	0	54	0.0	-77.85	403.59	10.20	-67.65
CN(C)C1=CC=C(C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819613	0	57	0.0	-79.09	419.81	9.62	-69.47
C=CCSCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819614	0	57	0.0	-68.30	454.57	9.07	-59.23
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819615	0	58	0.0	-69.17	425.30	10.67	-58.50
COC1(C(NC(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)C(=O)[O-])CCC1	REAL300012819616	0	60	0.0	-70.19	445.12	6.79	-63.40
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)[NH+](C)C)C=C1	REAL300012819617	0	56	0.0	-79.04	431.91	8.74	-70.30
CN(C)C1=CC=C(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819619	0	53	0.0	-76.18	403.02	9.19	-66.99
CN(C)C1=CC=C(C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819620	0	55	0.0	-53.95	412.48	9.88	-44.07
CN(C)C1=CC=C(C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819621	0	59	0.0	-79.29	432.30	9.73	-69.56
CC(C)CCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819622	0	61	0.0	-72.18	458.06	9.23	-62.95
CN(C)C1=CC=C(C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819623	0	60	0.0	-54.81	443.87	10.53	-44.28
CN(C)C1=CC=C(C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819624	0	60	0.0	-69.32	447.10	6.92	-62.40
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)C1	REAL300012819625	0	57	0.0	-74.20	439.33	10.27	-63.93
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)[NH+](C)C)C=C1	REAL300012819626	0	60	0.0	-74.34	434.75	9.74	-64.60
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)[NH+](C)C)C=C1	REAL300012819627	0	57	0.0	-72.25	421.12	9.12	-63.13
CN(C)C1=CC=C(C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)[NH+](C)C)C=C1	REAL300012819628	0	60	0.0	-75.90	439.69	10.50	-65.40
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCC2)[NH+](C)C)C=C1	REAL300012819629	0	59	0.0	-73.57	431.14	9.67	-63.90
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819630	0	56	0.0	-69.77	428.64	6.42	-63.35
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819631	0	56	0.0	-74.56	420.07	8.91	-65.65
CN(C)C1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)[NH+](C)C)C=C1	REAL300012819632	0	59	0.0	-43.90	451.90	12.95	-30.95
CN(C)C1=CC=C(C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819633	0	59	0.0	-54.11	437.90	9.90	-44.21
CN(C)C1=CC=C(C(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819634	0	56	0.0	-78.86	415.08	11.12	-67.74
CN(C)C1=CC=C(C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819635	0	53	0.0	-76.53	408.95	9.23	-67.30
CN(C)C1=CC=C(C(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819636	0	56	0.0	-67.79	421.75	10.66	-57.13
CN(C)C1=CC=C(C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])[NH+](C)C)C=C1	REAL300012819637	0	60	0.0	-75.66	433.83	10.46	-65.20
COCCCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819638	0	59	0.0	-70.31	452.83	7.03	-63.28
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819639	0	58	0.0	-69.91	429.37	10.09	-59.82
CCOCC(NC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300012819640	0	56	0.0	-73.83	432.20	6.41	-67.42
CN(C)C1=CC=C(C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819641	0	61	0.0	-68.45	447.07	9.57	-58.88
CN(C)C1=CC=C(C(CNC(=O)NC(C(=O)[O-])C2CCCCO2)[NH+](C)C)C=C1	REAL300012819642	0	60	0.0	-75.36	445.52	8.61	-66.75
C[C@H]1OCCN(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012819643	0	57	0.0	-75.14	418.73	8.60	-66.54
CN(C)C1=CC=C(C(CNC(=O)NC(CCC#N)C(=O)[O-])[NH+](C)C)C=C1	REAL300012819644	0	53	0.0	-73.46	416.98	7.67	-65.79
CN(C)C1=CC=C(C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)[NH+](C)C)C=C1	REAL300012819645	0	56	0.0	-63.77	429.67	9.86	-53.91
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C	REAL300012819646	0	52	0.0	-67.17	387.92	8.09	-59.08
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(N(C)C)C=C2)[NH+](C)C)C1	REAL300012819647	0	60	0.0	-70.72	450.69	9.11	-61.61
COC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCCCCC1	REAL300012820041	0	63	0.0	-63.04	446.01	7.59	-55.45
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CN=C3COCCN23)CC1	REAL300012820333	0	55	0.0	-67.14	425.69	5.18	-61.96
CC(C)C[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820460	0	60	0.0	-70.15	442.86	10.25	-59.90
CC(C)C[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820460	1	60	0.0	-79.91	439.24	9.79	-70.12
C=CCOCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820461	0	59	0.0	-82.40	458.08	8.94	-73.46
C=CCOCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820461	1	59	0.0	-71.23	450.53	8.67	-62.56
C=CC(C)C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820462	0	58	0.0	-78.64	432.11	9.65	-68.99
C=CC(C)C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820462	1	58	0.0	-78.64	441.65	10.26	-68.38
CC1CCN(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)CC2C)C(C(=O)[O-])C1	REAL300012820463	0	61	0.0	-89.36	430.93	11.99	-77.37
CC1CCN(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)CC2C)C(C(=O)[O-])C1	REAL300012820463	1	61	0.0	-91.33	428.71	12.44	-78.89
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820464	0	57	0.0	-65.04	414.77	10.85	-54.19
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820464	1	57	0.0	-64.60	431.06	11.67	-52.93
CC(C(=O)[O-])N(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C1CCC1	REAL300012820465	0	61	0.0	-66.38	432.58	11.46	-54.92
CC(C(=O)[O-])N(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C1CCC1	REAL300012820465	1	61	0.0	-66.02	444.59	12.15	-53.87
CCCN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(CC)C(=O)[O-]	REAL300012820466	0	63	0.0	-59.30	443.99	12.89	-46.41
CCCN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(CC)C(=O)[O-]	REAL300012820466	1	63	0.0	-76.87	458.17	12.72	-64.15
CC(C)C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820467	0	57	0.0	-78.95	413.25	8.81	-70.14
CC(C)C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820467	1	57	0.0	-80.03	428.67	9.67	-70.36
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012820468	0	58	0.0	-92.01	415.06	12.33	-79.68
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012820468	1	58	0.0	-89.21	410.09	11.40	-77.81
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012820469	0	56	0.0	-89.42	415.18	12.24	-77.18
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012820469	1	56	0.0	-78.80	414.65	12.01	-66.79
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012820470	0	61	0.0	-84.52	434.41	11.32	-73.20
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012820470	1	61	0.0	-78.29	433.90	11.10	-67.19
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCCC1C(=O)[O-]	REAL300012820471	0	55	0.0	-87.43	404.44	10.73	-76.70
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCCC1C(=O)[O-]	REAL300012820471	1	55	0.0	-87.46	410.40	11.02	-76.44
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012820472	0	58	0.0	-84.44	419.91	10.22	-74.22
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012820472	1	58	0.0	-77.99	419.40	10.01	-67.98
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCC(=O)[O-]	REAL300012820473	0	48	0.0	-68.83	369.01	7.24	-61.59
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCC(=O)[O-]	REAL300012820473	1	48	0.0	-63.86	361.78	7.03	-56.83
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012820474	0	58	0.0	-81.10	440.87	11.26	-69.84
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012820474	1	58	0.0	-75.22	440.33	11.04	-64.18
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012820475	0	58	0.0	-81.89	447.81	11.17	-70.72
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012820475	1	58	0.0	-80.63	436.50	10.65	-69.98
CCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820476	0	54	0.0	-69.69	403.56	8.90	-60.79
CCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820476	1	54	0.0	-79.71	411.63	9.09	-70.62
CC(C)C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820477	0	57	0.0	-78.95	413.25	8.81	-70.14
CC(C)C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820477	1	57	0.0	-80.03	428.67	9.67	-70.36
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(C)CC(=O)[O-]	REAL300012820478	0	51	0.0	-79.70	387.75	9.94	-69.76
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(C)CC(=O)[O-]	REAL300012820478	1	51	0.0	-78.12	376.68	9.33	-68.79
CC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820479	0	51	0.0	-69.45	379.04	7.43	-62.02
CC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820479	1	51	0.0	-69.61	389.80	8.08	-61.53
CCC(C)C(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820480	0	60	0.0	-80.57	431.22	9.47	-71.10
CCC(C)C(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820480	1	60	0.0	-80.79	441.56	10.13	-70.66
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(C)CC(=O)[O-]	REAL300012820481	0	51	0.0	-79.70	387.75	9.94	-69.76
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(C)CC(=O)[O-]	REAL300012820481	1	51	0.0	-78.12	376.68	9.33	-68.79
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012820482	0	58	0.0	-92.01	415.06	12.33	-79.68
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012820482	1	58	0.0	-89.21	410.09	11.40	-77.81
CCCC(C)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820483	0	60	0.0	-80.06	426.19	9.63	-70.43
CCCC(C)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820483	1	60	0.0	-81.00	437.27	10.22	-70.78
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820484	0	57	0.0	-78.33	409.01	10.59	-67.74
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820484	1	57	0.0	-64.44	421.46	11.32	-53.12
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012820485	0	55	0.0	-65.86	406.10	11.45	-54.41
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012820485	1	55	0.0	-72.37	407.66	11.08	-61.29
C=CCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820486	0	55	0.0	-64.40	422.37	11.48	-52.92
C=CCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820486	1	55	0.0	-58.37	415.13	11.26	-47.11
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820487	0	60	0.0	-58.47	438.48	11.97	-46.50
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820487	1	60	0.0	-63.83	445.47	11.98	-51.85
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C)(C)C(=O)[O-]	REAL300012820488	0	54	0.0	-67.58	402.38	8.48	-59.10
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C)(C)C(=O)[O-]	REAL300012820488	1	54	0.0	-63.24	395.14	8.27	-54.97
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012820489	0	58	0.0	-80.87	414.12	9.61	-71.26
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012820489	1	58	0.0	-79.67	414.14	9.62	-70.05
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012820490	0	61	0.0	-84.52	434.41	11.32	-73.20
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012820490	1	61	0.0	-78.29	433.90	11.10	-67.19
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820491	0	57	0.0	-78.33	409.01	10.59	-67.74
CC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820491	1	57	0.0	-64.44	421.46	11.32	-53.12
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820492	0	57	0.0	-65.04	414.77	10.85	-54.19
CCCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820492	1	57	0.0	-64.60	431.06	11.67	-52.93
CCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820493	0	54	0.0	-74.33	402.32	10.70	-63.63
CCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820493	1	54	0.0	-80.18	409.56	10.92	-69.26
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820494	0	60	0.0	-79.64	431.82	9.45	-70.19
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820494	1	60	0.0	-79.89	434.51	10.05	-69.84
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012820495	0	58	0.0	-84.44	419.91	10.22	-74.22
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012820495	1	58	0.0	-77.99	419.40	10.01	-67.98
CCC(C)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820496	0	57	0.0	-79.75	404.70	8.87	-70.88
CCC(C)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820496	1	57	0.0	-80.70	415.77	9.46	-71.24
C[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820497	0	51	0.0	-63.72	382.57	7.87	-55.85
C[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820497	1	51	0.0	-69.38	389.79	8.08	-61.30
CCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820498	0	54	0.0	-74.33	402.32	10.70	-63.63
CCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820498	1	54	0.0	-80.18	409.56	10.92	-69.26
C[C@@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820499	0	51	0.0	-65.63	382.88	7.82	-57.81
C[C@@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820499	1	51	0.0	-68.67	378.71	7.47	-61.20
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CC1	REAL300012820500	0	52	0.0	-86.43	389.25	9.31	-77.12
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CC1	REAL300012820500	1	52	0.0	-85.51	384.91	8.69	-76.82
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012820501	0	56	0.0	-86.06	401.49	8.98	-77.08
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012820501	1	56	0.0	-76.78	405.14	9.41	-67.37
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012820502	0	55	0.0	-80.53	414.66	9.66	-70.87
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012820502	1	55	0.0	-79.23	410.32	9.03	-70.20
COCCN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820503	0	58	0.0	-59.54	433.70	9.88	-49.66
COCCN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820503	1	58	0.0	-65.08	440.94	10.10	-54.98
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012820504	0	55	0.0	-76.94	405.22	10.37	-66.57
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012820504	1	55	0.0	-81.42	405.28	10.37	-71.05
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012820505	0	58	0.0	-90.91	421.37	12.04	-78.87
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012820505	1	58	0.0	-90.69	421.18	12.06	-78.63
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820506	0	54	0.0	-71.26	394.35	9.89	-61.37
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820506	1	54	0.0	-75.09	395.45	10.08	-65.01
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012820507	0	55	0.0	-87.13	411.15	10.71	-76.42
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012820507	1	55	0.0	-75.55	403.15	10.80	-64.75
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCC1	REAL300012820508	0	55	0.0	-85.61	406.06	9.83	-75.78
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCC1	REAL300012820508	1	55	0.0	-85.67	406.03	9.85	-75.82
C=CCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820509	0	55	0.0	-80.03	424.91	9.55	-70.48
C=CCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820509	1	55	0.0	-70.04	417.71	9.33	-60.71
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012820510	0	58	0.0	-80.37	420.23	11.32	-69.05
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012820510	1	58	0.0	-86.38	416.43	10.97	-75.41
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012820511	0	61	0.0	-88.23	429.84	12.91	-75.32
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012820511	1	61	0.0	-88.13	429.55	12.89	-75.24
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012820512	0	55	0.0	-80.53	414.66	9.66	-70.87
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1CC1	REAL300012820512	1	55	0.0	-79.23	410.32	9.03	-70.20
CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820513	0	54	0.0	-74.43	390.52	9.50	-64.93
CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820513	1	54	0.0	-75.24	401.58	10.11	-65.13
CCCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820514	0	60	0.0	-69.47	446.56	10.44	-59.03
CCCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820514	1	60	0.0	-79.53	454.63	10.64	-68.89
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012820515	0	58	0.0	-86.33	427.47	11.55	-74.78
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012820515	1	58	0.0	-85.12	416.39	10.97	-74.15
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012820516	0	61	0.0	-63.53	445.91	12.49	-51.04
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012820516	1	61	0.0	-63.58	434.86	11.88	-51.70
COCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820517	0	55	0.0	-71.17	415.77	7.11	-64.06
COCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820517	1	55	0.0	-80.49	423.00	7.32	-73.17
CCCCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820518	0	63	0.0	-74.57	468.89	11.22	-63.35
CCCCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820518	1	63	0.0	-79.50	476.13	11.42	-68.08
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012820519	0	61	0.0	-87.31	430.48	11.95	-75.36
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012820519	1	61	0.0	-75.30	429.99	11.72	-63.58
CC(C(=O)[O-])N(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C1CC1	REAL300012820520	0	58	0.0	-77.83	421.15	11.24	-66.59
CC(C(=O)[O-])N(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C1CC1	REAL300012820520	1	58	0.0	-76.03	413.69	11.22	-64.81
CCC(C(=O)[O-])N(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C1CC1	REAL300012820521	0	61	0.0	-61.88	441.26	12.37	-49.51
CCC(C(=O)[O-])N(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C1CC1	REAL300012820521	1	61	0.0	-78.04	437.58	12.69	-65.35
COCC(C)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820522	0	58	0.0	-84.11	422.94	8.15	-75.96
COCC(C)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820522	1	58	0.0	-85.07	434.01	8.75	-76.32
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820523	0	61	0.0	-76.67	443.56	9.90	-66.77
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820523	1	61	0.0	-77.00	454.01	10.42	-66.58
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820524	0	60	0.0	-58.47	438.48	11.97	-46.50
CC(C)CN(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820524	1	60	0.0	-63.83	445.47	11.98	-51.85
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012820525	0	55	0.0	-65.86	406.10	11.45	-54.41
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(CC(=O)[O-])C1CC1	REAL300012820525	1	55	0.0	-72.37	407.66	11.08	-61.29
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012820526	0	56	0.0	-79.77	417.39	7.59	-72.18
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012820526	1	56	0.0	-73.42	410.00	7.43	-65.99
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012820527	0	59	0.0	-83.52	425.84	8.84	-74.68
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012820527	1	59	0.0	-72.19	425.34	8.62	-63.57
C=CCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820528	0	58	0.0	-79.77	445.70	10.49	-69.28
C=CCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820528	1	58	0.0	-70.02	438.71	10.21	-59.81
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(CF)C(=O)[O-]	REAL300012820529	0	51	0.0	-67.35	393.42	8.09	-59.26
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(CF)C(=O)[O-]	REAL300012820529	1	51	0.0	-61.52	386.19	7.88	-53.64
CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820530	0	54	0.0	-74.43	390.52	9.50	-64.93
CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820530	1	54	0.0	-75.24	401.58	10.11	-65.13
CCC(CC)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820531	0	60	0.0	-79.85	421.38	9.77	-70.08
CCC(CC)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820531	1	60	0.0	-81.10	432.41	10.37	-70.73
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820532	0	60	0.0	-56.53	435.40	12.20	-44.33
CCC(C)N(CC(=O)[O-])C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820532	1	60	0.0	-63.75	440.28	12.25	-51.50
CCC(COC)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820533	0	61	0.0	-79.75	443.22	9.46	-70.29
CCC(COC)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820533	1	61	0.0	-86.55	450.45	9.67	-76.88
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012820534	0	58	0.0	-79.64	436.82	10.61	-69.03
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012820534	1	58	0.0	-79.24	432.45	9.99	-69.25
COCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820535	0	58	0.0	-70.41	438.07	7.95	-62.46
COCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820535	1	58	0.0	-80.00	445.06	8.22	-71.78
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820536	0	63	0.0	-74.94	448.81	11.98	-62.96
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820536	1	63	0.0	-76.11	460.46	12.48	-63.63
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012820537	0	54	0.0	-78.91	423.98	9.38	-69.53
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012820537	1	54	0.0	-69.78	416.75	9.17	-60.61
CCCN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300012820538	0	60	0.0	-72.74	437.03	12.26	-60.48
CCCN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300012820538	1	60	0.0	-67.39	440.70	11.64	-55.75
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012820539	0	54	0.0	-77.55	417.39	9.25	-68.30
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012820539	1	54	0.0	-69.11	410.99	9.03	-60.08
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012820540	0	57	0.0	-77.56	422.36	9.61	-67.95
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012820540	1	57	0.0	-75.32	411.29	9.00	-66.32
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012820541	0	55	0.0	-69.94	416.84	10.62	-59.32
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012820541	1	55	0.0	-74.51	418.26	10.53	-63.98
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820542	0	54	0.0	-67.38	394.49	9.94	-57.44
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820542	1	54	0.0	-75.38	390.63	9.56	-65.82
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012820543	0	56	0.0	-90.79	409.02	11.67	-79.12
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012820543	1	56	0.0	-93.28	411.50	11.66	-81.62
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012820544	0	60	0.0	-80.89	431.34	9.60	-71.29
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012820544	1	60	0.0	-69.95	433.57	10.00	-59.95
C=C(Cl)CC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820545	0	55	0.0	-79.84	440.06	10.17	-69.67
C=C(Cl)CC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820545	1	55	0.0	-70.07	432.83	9.96	-60.11
C=C(C)CC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820546	0	58	0.0	-79.73	445.48	10.29	-69.44
C=C(C)CC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820546	1	58	0.0	-74.93	437.30	10.26	-64.67
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012820547	0	59	0.0	-95.47	432.35	12.49	-82.98
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012820547	1	59	0.0	-94.01	421.09	11.85	-82.16
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012820548	0	55	0.0	-79.73	423.36	11.18	-68.55
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012820548	1	55	0.0	-69.59	416.15	10.96	-58.63
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012820549	0	55	0.0	-84.36	410.14	11.11	-73.25
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012820549	1	55	0.0	-82.55	405.80	10.49	-72.06
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300012820550	0	56	0.0	-80.39	417.31	10.84	-69.55
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300012820550	1	56	0.0	-88.62	425.96	11.06	-77.56
CC(C)C[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820551	0	60	0.0	-70.15	442.86	10.25	-59.90
CC(C)C[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820551	1	60	0.0	-79.91	439.24	9.79	-70.12
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012820552	0	58	0.0	-81.89	447.81	11.17	-70.72
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012820552	1	58	0.0	-80.63	436.50	10.65	-69.98
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012820553	0	58	0.0	-79.64	436.82	10.61	-69.03
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012820553	1	58	0.0	-79.24	432.45	9.99	-69.25
CSCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820554	0	55	0.0	-68.29	427.86	9.30	-58.99
CSCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820554	1	55	0.0	-76.47	434.42	9.54	-66.93
COC[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820555	0	55	0.0	-71.16	415.77	7.12	-64.04
COC[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820555	1	55	0.0	-80.49	411.91	6.72	-73.77
CC[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820556	0	54	0.0	-69.93	404.16	8.95	-60.98
CC[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820556	1	54	0.0	-79.51	400.54	8.49	-71.02
CCC(C)CC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820557	0	63	0.0	-70.63	461.33	10.84	-59.79
CCC(C)CC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820557	1	63	0.0	-80.72	468.44	11.12	-69.60
C=CCCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820558	0	61	0.0	-79.19	467.44	11.20	-67.99
C=CCCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820558	1	61	0.0	-69.19	459.37	11.01	-58.18
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012820559	0	56	0.0	-89.42	415.18	12.24	-77.18
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012820559	1	56	0.0	-78.80	414.65	12.01	-66.79
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012820560	0	55	0.0	-76.94	405.22	10.37	-66.57
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012820560	1	55	0.0	-81.42	405.28	10.37	-71.05
CCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820561	0	57	0.0	-69.60	425.06	9.66	-59.94
CCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820561	1	57	0.0	-78.98	432.29	9.87	-69.11
CC(C)[C@@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820562	0	57	0.0	-75.14	421.43	9.45	-65.69
CC(C)[C@@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820562	1	57	0.0	-77.87	415.66	9.10	-68.77
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012820563	0	59	0.0	-94.02	431.42	12.56	-81.46
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012820563	1	59	0.0	-94.47	431.50	12.56	-81.91
CCN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(C)(C)C(=O)[O-]	REAL300012820564	0	60	0.0	-77.43	429.06	11.64	-65.79
CCN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(C)(C)C(=O)[O-]	REAL300012820564	1	60	0.0	-84.58	436.31	11.86	-72.72
CCCN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300012820565	0	60	0.0	-72.74	437.03	12.26	-60.48
CCCN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300012820565	1	60	0.0	-67.39	440.70	11.64	-55.75
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300012820566	0	57	0.0	-84.46	416.86	10.98	-73.48
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300012820566	1	57	0.0	-83.42	405.80	10.38	-73.04
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012820567	0	55	0.0	-87.13	411.15	10.71	-76.42
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012820567	1	55	0.0	-75.55	403.15	10.80	-64.75
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012820568	0	56	0.0	-77.59	415.09	7.09	-70.50
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012820568	1	56	0.0	-88.76	422.45	7.31	-81.45
CCC[C@@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820569	0	57	0.0	-79.57	426.23	9.94	-69.63
CCC[C@@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820569	1	57	0.0	-79.50	426.19	9.94	-69.56
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012820570	0	58	0.0	-81.10	440.87	11.26	-69.84
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012820570	1	58	0.0	-75.22	440.33	11.04	-64.18
C=CCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820571	0	58	0.0	-79.77	445.70	10.49	-69.28
C=CCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820571	1	58	0.0	-70.02	438.71	10.21	-59.81
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012820572	0	58	0.0	-87.37	427.45	11.56	-75.81
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012820572	1	58	0.0	-80.41	420.24	11.32	-69.09
CC(C)[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820573	0	57	0.0	-77.31	414.76	9.03	-68.28
CC(C)[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820573	1	57	0.0	-79.25	416.05	9.42	-69.83
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012820574	0	58	0.0	-80.99	436.67	10.56	-70.43
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012820574	1	58	0.0	-71.73	440.30	11.03	-60.70
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820575	0	54	0.0	-67.38	394.49	9.94	-57.44
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820575	1	54	0.0	-75.38	390.63	9.56	-65.82
CCC[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820576	0	57	0.0	-69.54	425.07	9.67	-59.87
CCC[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820576	1	57	0.0	-78.93	421.21	9.27	-69.66
CCN(C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300012820577	0	57	0.0	-76.66	409.35	10.42	-66.24
CCN(C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300012820577	1	57	0.0	-76.16	418.83	10.84	-65.32
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012820578	0	61	0.0	-63.53	445.91	12.49	-51.04
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012820578	1	61	0.0	-63.58	434.86	11.88	-51.70
CC(CN(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820579	0	57	0.0	-78.75	410.92	9.96	-68.79
CC(CN(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820579	1	57	0.0	-79.69	421.98	10.58	-69.11
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820580	0	60	0.0	-79.64	431.82	9.45	-70.19
CC[C@H](C)[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820580	1	60	0.0	-79.89	434.51	10.05	-69.84
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820581	0	57	0.0	-67.64	415.36	10.92	-56.72
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820581	1	57	0.0	-75.89	410.92	10.65	-65.24
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012820582	0	59	0.0	-90.67	436.30	7.01	-83.66
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012820582	1	59	0.0	-89.89	431.92	6.40	-83.49
CC1CCC(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300012820583	0	61	0.0	-77.98	440.41	10.57	-67.41
CC1CCC(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300012820583	1	61	0.0	-84.26	440.22	10.79	-73.47
COCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820584	0	58	0.0	-70.41	438.07	7.95	-62.46
COCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820584	1	58	0.0	-80.00	445.06	8.22	-71.78
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012820585	0	61	0.0	-86.48	442.22	11.52	-74.96
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012820585	1	61	0.0	-79.01	441.61	11.30	-67.71
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012820586	0	58	0.0	-82.42	428.54	10.47	-71.95
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012820586	1	58	0.0	-81.37	422.02	9.84	-71.53
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012820587	0	56	0.0	-81.34	413.79	7.26	-74.08
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012820587	1	56	0.0	-92.64	421.08	7.50	-85.14
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012820588	0	59	0.0	-80.22	445.02	8.28	-71.94
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012820588	1	59	0.0	-79.30	433.95	7.67	-71.63
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012820589	0	59	0.0	-83.85	425.28	11.92	-71.93
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012820589	1	59	0.0	-79.39	425.27	11.91	-67.48
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012820590	0	57	0.0	-86.67	413.65	9.31	-77.36
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012820590	1	57	0.0	-78.75	417.87	9.59	-69.16
CC1CCC(C(=O)[O-])N(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300012820591	0	61	0.0	-91.17	426.80	12.54	-78.63
CC1CCC(C(=O)[O-])N(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300012820591	1	61	0.0	-92.75	431.32	13.10	-79.65
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012820592	0	58	0.0	-80.01	429.28	10.10	-69.91
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012820592	1	58	0.0	-80.59	420.70	9.38	-71.21
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012820593	0	58	0.0	-80.01	429.28	10.10	-69.91
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012820593	1	58	0.0	-80.59	420.70	9.38	-71.21
CC1CCN(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)CC2C)C1C(=O)[O-]	REAL300012820594	0	58	0.0	-82.62	425.90	10.96	-71.66
CC1CCN(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)CC2C)C1C(=O)[O-]	REAL300012820594	1	58	0.0	-87.69	422.10	10.59	-77.10
C=CCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820595	0	55	0.0	-80.03	424.91	9.55	-70.48
C=CCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820595	1	55	0.0	-70.04	417.71	9.33	-60.71
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012820596	0	59	0.0	-62.18	422.91	11.41	-50.77
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012820596	1	59	0.0	-62.95	423.59	11.33	-51.62
COC1CC(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300012820597	0	59	0.0	-80.71	438.74	8.56	-72.15
COC1CC(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300012820597	1	59	0.0	-87.90	439.24	8.78	-79.12
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012820598	0	55	0.0	-83.44	414.45	9.85	-73.59
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012820598	1	55	0.0	-76.49	414.23	9.62	-66.87
CO[C@H]1C[C@](NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300012820599	0	59	0.0	-72.02	437.51	8.86	-63.16
CO[C@H]1C[C@](NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)CC2C)(C(=O)[O-])C1	REAL300012820599	1	59	0.0	-79.68	433.13	8.07	-71.61
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820600	0	61	0.0	-89.05	429.64	12.21	-76.84
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820600	1	61	0.0	-88.43	443.27	12.72	-75.71
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])COC1	REAL300012820601	0	53	0.0	-78.93	396.83	6.87	-72.06
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])COC1	REAL300012820601	1	53	0.0	-72.18	395.98	6.67	-65.51
CC(C)C(C)(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820602	0	60	0.0	-80.56	419.62	9.49	-71.07
CC(C)C(C)(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820602	1	60	0.0	-80.94	432.50	10.17	-70.77
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012820603	0	56	0.0	-92.11	411.29	12.18	-79.93
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012820603	1	56	0.0	-82.30	410.76	11.95	-70.35
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012820604	0	59	0.0	-89.96	433.58	11.61	-78.35
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012820604	1	59	0.0	-82.44	426.33	11.38	-71.06
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820605	0	60	0.0	-81.38	426.95	11.94	-69.44
CCC(C(=O)[O-])N(CC)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820605	1	60	0.0	-76.63	436.66	11.99	-64.64
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012820606	0	55	0.0	-84.36	410.14	11.11	-73.25
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012820606	1	55	0.0	-82.55	405.80	10.49	-72.06
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012820607	0	57	0.0	-62.50	415.02	11.23	-51.27
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012820607	1	57	0.0	-55.62	418.73	11.63	-43.99
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012820608	0	61	0.0	-88.25	438.57	11.96	-76.29
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012820608	1	61	0.0	-86.41	434.21	11.35	-75.06
CC(C)CCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820609	0	63	0.0	-70.39	464.96	10.95	-59.44
CC(C)CCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820609	1	63	0.0	-79.14	471.36	11.17	-67.97
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012820610	0	62	0.0	-61.82	451.39	12.46	-49.36
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012820610	1	62	0.0	-61.58	458.18	12.45	-49.13
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012820611	0	62	0.0	-86.65	440.22	11.97	-74.68
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012820611	1	62	0.0	-80.53	439.69	11.75	-68.78
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012820612	0	59	0.0	-84.95	428.52	10.85	-74.10
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012820612	1	59	0.0	-78.37	427.98	10.64	-67.73
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012820613	0	62	0.0	-82.69	444.39	10.84	-71.85
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012820613	1	62	0.0	-74.71	454.43	11.45	-63.26
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012820614	0	61	0.0	-79.98	444.24	10.75	-69.23
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012820614	1	61	0.0	-80.94	436.77	10.02	-70.92
CO[C@H](C)[C@H](NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820615	0	58	0.0	-71.60	434.40	8.13	-63.47
CO[C@H](C)[C@H](NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820615	1	58	0.0	-80.33	430.06	7.73	-72.60
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820616	0	58	0.0	-84.75	425.82	10.35	-74.40
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820616	1	58	0.0	-75.48	418.78	10.12	-65.36
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012820617	0	61	0.0	-63.11	451.10	11.77	-51.34
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012820617	1	61	0.0	-62.48	439.10	11.21	-51.27
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012820618	0	55	0.0	-88.13	417.29	10.71	-77.42
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012820618	1	55	0.0	-90.74	416.22	10.87	-79.87
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012820619	0	62	0.0	-89.95	442.54	12.20	-77.75
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012820619	1	62	0.0	-89.92	442.58	12.20	-77.72
COCCCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820620	0	61	0.0	-69.25	458.74	8.73	-60.52
COCCCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820620	1	61	0.0	-79.17	466.80	8.93	-70.24
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820621	0	60	0.0	-75.54	433.54	11.41	-64.13
CCCC(C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820621	1	60	0.0	-76.20	444.60	12.02	-64.18
CCOCC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820622	0	58	0.0	-72.20	438.11	8.11	-64.09
CCOCC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300012820622	1	58	0.0	-80.87	444.85	8.30	-72.57
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012820623	0	63	0.0	-80.26	462.49	11.48	-68.78
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012820623	1	63	0.0	-78.53	450.53	10.90	-67.63
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012820624	0	59	0.0	-88.27	432.38	10.32	-77.95
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012820624	1	59	0.0	-89.74	433.38	10.56	-79.18
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012820625	0	55	0.0	-79.67	431.63	9.61	-70.06
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012820625	1	55	0.0	-70.58	424.41	9.40	-61.18
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012820626	0	58	0.0	-66.03	443.52	12.07	-53.96
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012820626	1	58	0.0	-65.58	439.16	11.45	-54.13
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300012820627	0	54	0.0	-71.26	394.35	9.89	-61.37
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300012820627	1	54	0.0	-75.09	395.45	10.08	-65.01
C[C@@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012820811	0	59	0.0	-65.09	450.32	10.42	-54.67
CC1=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N2C=CC=CC2=N1	REAL300012821687	0	56	0.0	-66.20	437.66	8.37	-57.83
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCC(F)(F)C2)CC1	REAL300012822261	0	56	0.0	-58.84	424.98	7.74	-51.10
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3=CC=C(Cl)C=C3C2)CC1	REAL300012822978	0	54	0.0	-62.74	430.87	9.23	-53.51
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC(C(C)(C)C)=CO2)CC1	REAL300012823715	0	58	0.0	-66.68	448.73	4.79	-61.89
COC1=NN(C)C=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012823970	0	54	0.0	-66.49	426.89	3.14	-63.35
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC=CCCC2)CC1	REAL300012824511	0	60	0.0	-62.05	430.75	8.56	-53.49
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C3CCCO3)CCC2)CC1	REAL300012824788	0	61	0.0	-62.20	445.95	7.51	-54.69
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCC(F)(F)CC2)CC1	REAL300012825289	0	59	0.0	-60.35	439.36	8.25	-52.10
C=CCOCC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825422	0	49	0.0	-70.95	386.88	5.22	-65.73
C=CCOCC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825422	1	49	0.0	-71.64	387.40	5.23	-66.41
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012825423	0	52	0.0	-72.23	384.20	5.28	-66.95
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012825423	1	52	0.0	-70.89	390.80	5.48	-65.41
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012825424	0	48	0.0	-67.15	388.51	7.64	-59.51
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012825424	1	48	0.0	-65.60	389.63	7.62	-57.98
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012825425	0	48	0.0	-66.87	398.40	8.09	-58.78
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012825425	1	48	0.0	-64.96	399.28	8.16	-56.80
COC1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)C(C(=O)[O-])C1	REAL300012825426	0	52	0.0	-79.71	383.27	7.63	-72.08
COC1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)C(C(=O)[O-])C1	REAL300012825426	1	52	0.0	-79.60	381.52	7.67	-71.93
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012825427	0	52	0.0	-67.29	383.83	5.23	-62.06
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012825427	1	52	0.0	-68.77	385.26	5.25	-63.52
CC1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)C(C(=O)[O-])C1	REAL300012825428	0	51	0.0	-77.42	364.37	8.74	-68.68
CC1CCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)C(C(=O)[O-])C1	REAL300012825428	1	51	0.0	-77.38	371.16	8.94	-68.44
CC1=CC(C(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])=CC=C1F	REAL300012825429	0	51	0.0	-67.31	403.24	8.26	-59.05
CC1=CC(C(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])=CC=C1F	REAL300012825429	1	51	0.0	-67.24	402.93	8.28	-58.96
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012825430	0	53	0.0	-69.79	412.13	7.42	-62.37
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012825430	1	53	0.0	-70.95	412.85	7.34	-63.61
CC1=CC(C)=CC(C(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])=C1	REAL300012825431	0	54	0.0	-71.28	419.77	8.83	-62.45
CC1=CC(C)=CC(C(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])=C1	REAL300012825431	1	54	0.0	-70.88	419.00	8.90	-61.98
CC1=CC=C(C(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1C	REAL300012825432	0	54	0.0	-71.49	415.36	8.71	-62.78
CC1=CC=C(C(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1C	REAL300012825432	1	54	0.0	-71.38	414.85	8.70	-62.68
COC1=CC=C(C(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1Cl	REAL300012825433	0	52	0.0	-67.97	422.22	7.45	-60.52
COC1=CC=C(C(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1Cl	REAL300012825433	1	52	0.0	-70.59	421.93	7.35	-63.24
CC1=CC=CC(C(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])=C1C	REAL300012825434	0	54	0.0	-70.02	406.39	8.58	-61.44
CC1=CC=CC(C(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])=C1C	REAL300012825434	1	54	0.0	-69.77	405.47	8.51	-61.26
COC1=CC=C(C(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1F	REAL300012825435	0	52	0.0	-68.35	412.42	6.96	-61.39
COC1=CC=C(C(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1F	REAL300012825435	1	52	0.0	-71.36	412.13	6.86	-64.50
CC(C(=O)[O-])N(C(=O)NCC[N@@H+]1CCC(C)(C)C1)C1CCC1	REAL300012825436	0	51	0.0	-57.56	372.94	8.35	-49.21
CC(C(=O)[O-])N(C(=O)NCC[N@H+]1CCC(C)(C)C1)C1CCC1	REAL300012825436	1	51	0.0	-47.40	368.60	9.03	-38.37
CCCN(C(=O)NCC[N@@H+]1CCC(C)(C)C1)C(COC)C(=O)[O-]	REAL300012825437	0	54	0.0	-72.07	403.12	8.95	-63.12
CCCN(C(=O)NCC[N@H+]1CCC(C)(C)C1)C(COC)C(=O)[O-]	REAL300012825437	1	54	0.0	-71.60	401.97	8.95	-62.65
CCCN(C(=O)NCC[N@@H+]1CCC(C)(C)C1)C(CC)C(=O)[O-]	REAL300012825438	0	53	0.0	-67.74	387.14	9.03	-58.71
CCCN(C(=O)NCC[N@H+]1CCC(C)(C)C1)C(CC)C(=O)[O-]	REAL300012825438	1	53	0.0	-58.68	386.66	8.98	-49.70
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012825439	0	48	0.0	-66.71	392.54	8.04	-58.67
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012825439	1	48	0.0	-66.80	392.87	8.03	-58.77
CC1(C)CC[N@H+](CCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012825440	0	46	0.0	-75.92	350.13	8.45	-67.47
CC1(C)CC[N@@H+](CCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012825440	1	46	0.0	-76.91	350.61	8.58	-68.33
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012825441	0	51	0.0	-72.26	369.77	7.64	-64.62
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012825441	1	51	0.0	-72.30	369.76	7.63	-64.67
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012825442	0	54	0.0	-72.97	375.41	8.30	-64.67
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012825442	1	54	0.0	-72.20	379.53	8.13	-64.07
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012825443	0	51	0.0	-71.09	398.70	8.44	-62.65
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012825443	1	51	0.0	-70.65	398.90	8.51	-62.14
CC1(C)CC[N@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012825444	0	51	0.0	-54.81	397.15	10.24	-44.57
CC1(C)CC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012825444	1	51	0.0	-54.83	397.53	10.23	-44.60
CC1(C)CC[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012825445	0	48	0.0	-70.63	376.46	7.50	-63.13
CC1(C)CC[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012825445	1	48	0.0	-70.15	376.72	7.59	-62.56
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012825446	0	48	0.0	-70.13	376.21	7.58	-62.55
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012825446	1	48	0.0	-70.11	376.72	7.59	-62.52
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012825447	0	51	0.0	-71.09	398.70	8.44	-62.65
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012825447	1	51	0.0	-70.65	398.90	8.51	-62.14
CC1(C)CC[N@H+](CCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012825448	0	52	0.0	-78.40	389.05	10.43	-67.97
CC1(C)CC[N@@H+](CCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012825448	1	52	0.0	-75.45	390.44	10.31	-65.14
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012825449	0	45	0.0	-68.82	368.07	6.59	-62.23
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012825449	1	45	0.0	-68.44	368.33	6.67	-61.77
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012825450	0	51	0.0	-72.26	369.77	7.64	-64.62
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012825450	1	51	0.0	-72.30	369.76	7.63	-64.67
CC1(C)CC[N@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012825451	0	51	0.0	-53.10	413.93	10.76	-42.34
CC1(C)CC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012825451	1	51	0.0	-52.71	414.39	10.77	-41.94
CC1(C)CC[N@H+](CCNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012825452	0	55	0.0	-71.01	427.52	8.57	-62.44
CC1(C)CC[N@@H+](CCNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012825452	1	55	0.0	-71.11	428.02	8.58	-62.53
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCC[N@@H+]2CCC(C)(C)C2)=C1	REAL300012825453	0	59	0.0	-58.16	450.61	8.57	-49.59
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCC[N@H+]2CCC(C)(C)C2)=C1	REAL300012825453	1	59	0.0	-57.45	456.19	8.85	-48.60
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300012825454	0	48	0.0	-67.33	397.70	8.12	-59.21
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300012825454	1	48	0.0	-66.67	397.44	8.14	-58.53
CC1(C)CC[N@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012825455	0	51	0.0	-53.25	403.61	10.30	-42.95
CC1(C)CC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012825455	1	51	0.0	-52.92	404.07	10.32	-42.60
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012825456	0	52	0.0	-72.43	396.19	8.73	-63.70
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012825456	1	52	0.0	-72.46	396.43	8.80	-63.66
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012825457	0	48	0.0	-69.95	386.47	7.65	-62.30
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012825457	1	48	0.0	-70.10	386.98	7.66	-62.44
CC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012825458	0	51	0.0	-70.56	384.73	8.28	-62.28
CC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012825458	1	51	0.0	-70.33	384.24	8.27	-62.06
CCCCCCC(C)(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825459	0	59	0.0	-68.53	430.92	8.90	-59.63
CCCCCCC(C)(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825459	1	59	0.0	-68.53	430.41	8.88	-59.65
CN(C(=O)NCC[N@@H+]1CCC(C)(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012825460	0	54	0.0	-69.37	407.75	10.46	-58.91
CN(C(=O)NCC[N@H+]1CCC(C)(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012825460	1	54	0.0	-69.21	407.71	10.47	-58.74
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012825461	0	48	0.0	-66.71	392.54	8.04	-58.67
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012825461	1	48	0.0	-66.80	392.87	8.03	-58.77
CN(C(=O)NCC[N@@H+]1CCC(C)(C)C1)C1(C(=O)[O-])CCCCC1	REAL300012825462	0	54	0.0	-74.29	379.56	8.96	-65.33
CN(C(=O)NCC[N@H+]1CCC(C)(C)C1)C1(C(=O)[O-])CCCCC1	REAL300012825462	1	54	0.0	-74.17	379.05	8.95	-65.22
CC1(C)CC[N@H+](CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012825463	0	54	0.0	-56.23	419.61	11.01	-45.22
CC1(C)CC[N@@H+](CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012825463	1	54	0.0	-55.95	419.94	11.01	-44.94
CN(C(=O)NCC[N@@H+]1CCC(C)(C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012825464	0	51	0.0	-68.06	384.13	9.14	-58.92
CN(C(=O)NCC[N@H+]1CCC(C)(C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012825464	1	51	0.0	-68.18	384.08	9.14	-59.04
COCCN(CC(=O)[O-])C(=O)NCC[N@@H+]1CCC(C)(C)C1	REAL300012825465	0	48	0.0	-55.53	369.92	6.40	-49.13
COCCN(CC(=O)[O-])C(=O)NCC[N@H+]1CCC(C)(C)C1	REAL300012825465	1	48	0.0	-55.77	369.58	6.41	-49.36
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012825466	0	52	0.0	-73.78	391.13	8.59	-65.19
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012825466	1	52	0.0	-73.78	391.53	8.58	-65.20
CC1(C)CC[N@H+](CCNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012825467	0	55	0.0	-77.61	432.59	8.37	-69.24
CC1(C)CC[N@@H+](CCNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012825467	1	55	0.0	-77.61	433.11	8.39	-69.22
CC1(C)CC[N@H+](CCNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012825468	0	51	0.0	-77.13	363.48	8.95	-68.18
CC1(C)CC[N@@H+](CCNC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012825468	1	51	0.0	-74.43	365.64	9.22	-65.21
CC1(C)CC[N@H+](CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012825469	0	54	0.0	-56.23	419.61	11.01	-45.22
CC1(C)CC[N@@H+](CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012825469	1	54	0.0	-55.95	419.94	11.01	-44.94
CC1(C)CC[N@H+](CCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012825470	0	51	0.0	-54.20	374.54	8.80	-45.40
CC1(C)CC[N@@H+](CCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012825470	1	51	0.0	-54.12	375.99	8.88	-45.24
CCCCCC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825471	0	53	0.0	-68.85	405.04	7.82	-61.03
CCCCCC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825471	1	53	0.0	-68.91	404.53	7.81	-61.10
CCC1CCC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)(C(=O)[O-])CC1	REAL300012825472	0	57	0.0	-67.91	402.48	8.16	-59.75
CCC1CCC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)(C(=O)[O-])CC1	REAL300012825472	1	57	0.0	-72.20	408.85	8.89	-63.31
CC1(C)CC[N@H+](CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012825473	0	52	0.0	-54.70	382.96	7.13	-47.57
CC1(C)CC[N@@H+](CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012825473	1	52	0.0	-54.41	383.48	7.14	-47.27
CN(C(=O)NCC[N@@H+]1CCC(C)(C)C1)C1(C(=O)[O-])CCCC1	REAL300012825474	0	51	0.0	-75.16	366.25	8.22	-66.94
CN(C(=O)NCC[N@H+]1CCC(C)(C)C1)C1(C(=O)[O-])CCCC1	REAL300012825474	1	51	0.0	-74.94	365.88	8.28	-66.66
CCC(C(=O)[O-])N(C(=O)NCC[N@@H+]1CCC(C)(C)C1)C1CC1	REAL300012825475	0	51	0.0	-58.69	377.17	8.81	-49.88
CCC(C(=O)[O-])N(C(=O)NCC[N@H+]1CCC(C)(C)C1)C1CC1	REAL300012825475	1	51	0.0	-69.19	367.96	8.47	-60.72
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012825476	0	48	0.0	-71.73	387.18	7.96	-63.77
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012825476	1	48	0.0	-71.60	387.05	7.92	-63.68
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012825477	0	48	0.0	-75.56	380.59	7.65	-67.91
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012825477	1	48	0.0	-76.52	381.36	7.59	-68.93
CC1(C)CC[N@H+](CCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012825478	0	52	0.0	-59.29	392.02	9.79	-49.50
CC1(C)CC[N@@H+](CCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012825478	1	52	0.0	-59.46	391.53	9.93	-49.53
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012825479	0	51	0.0	-74.23	413.91	8.78	-65.45
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012825479	1	51	0.0	-74.30	414.71	8.77	-65.53
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012825480	0	57	0.0	-74.22	442.34	10.42	-63.80
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012825480	1	57	0.0	-73.78	442.64	10.57	-63.21
CC1(C)CC[N@H+](CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012825481	0	57	0.0	-69.63	420.40	8.70	-60.93
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012825481	1	57	0.0	-69.60	420.91	8.71	-60.89
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@@H+]1CCC(C)(C)C1	REAL300012825482	0	54	0.0	-53.10	409.68	10.82	-42.28
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@H+]1CCC(C)(C)C1	REAL300012825482	1	54	0.0	-53.51	404.84	10.31	-43.20
CC1=CC=C(C(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1	REAL300012825483	0	51	0.0	-70.14	398.11	8.26	-61.88
CC1=CC=C(C(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1	REAL300012825483	1	51	0.0	-70.13	397.62	8.25	-61.88
CC1(C)CC[N@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012825484	0	44	0.0	-63.22	355.38	6.14	-57.08
CC1(C)CC[N@@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012825484	1	44	0.0	-63.44	356.47	6.21	-57.23
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012825485	0	54	0.0	-71.39	421.81	9.78	-61.61
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012825485	1	54	0.0	-72.09	422.92	9.79	-62.30
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012825486	0	49	0.0	-68.83	367.41	7.33	-61.50
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012825486	1	49	0.0	-68.88	367.45	7.32	-61.56
COCC(C)(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825487	0	48	0.0	-72.75	362.99	5.07	-67.68
COCC(C)(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825487	1	48	0.0	-72.73	362.66	5.08	-67.65
CCOCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCC(C)(C)C1	REAL300012825488	0	51	0.0	-67.85	382.73	6.84	-61.01
CCOCC(C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCC(C)(C)C1	REAL300012825488	1	51	0.0	-67.81	382.75	6.85	-60.96
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@@H+]1CCC(C)(C)C1	REAL300012825489	0	57	0.0	-54.34	423.56	11.47	-42.87
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC[N@H+]1CCC(C)(C)C1	REAL300012825489	1	57	0.0	-52.16	417.70	10.90	-41.26
CC1(C)CC[N@H+](CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012825490	0	47	0.0	-55.53	377.84	8.37	-47.16
CC1(C)CC[N@@H+](CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012825490	1	47	0.0	-55.34	378.34	8.39	-46.95
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012825491	0	54	0.0	-70.99	398.95	7.89	-63.10
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012825491	1	54	0.0	-69.52	397.53	7.91	-61.61
CN(C(=O)NCC[N@@H+]1CCC(C)(C)C1)C(COC1CCC1)C(=O)[O-]	REAL300012825492	0	55	0.0	-68.22	410.36	8.23	-59.99
CN(C(=O)NCC[N@H+]1CCC(C)(C)C1)C(COC1CCC1)C(=O)[O-]	REAL300012825492	1	55	0.0	-68.50	410.33	8.24	-60.26
CC1(C)CC[N@H+](CCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012825493	0	55	0.0	-75.52	415.56	11.43	-64.09
CC1(C)CC[N@@H+](CCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012825493	1	55	0.0	-75.97	414.32	11.59	-64.38
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012825494	0	49	0.0	-71.94	361.20	5.15	-66.79
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012825494	1	49	0.0	-71.96	361.17	5.14	-66.82
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@@H+]1CCC(C)(C)C1	REAL300012825495	0	54	0.0	-44.97	407.06	11.28	-33.69
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@H+]1CCC(C)(C)C1	REAL300012825495	1	54	0.0	-75.30	407.37	11.12	-64.18
COC1=CC=C(C(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1	REAL300012825496	0	52	0.0	-70.58	406.24	6.78	-63.80
COC1=CC=C(C(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1	REAL300012825496	1	52	0.0	-70.04	405.71	6.88	-63.16
CCC(COC)(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825497	0	51	0.0	-74.16	379.59	6.01	-68.15
CCC(COC)(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825497	1	51	0.0	-74.13	379.10	6.00	-68.13
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCC(C)(C)C1	REAL300012825498	0	54	0.0	-68.03	403.51	7.57	-60.46
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCC(C)(C)C1	REAL300012825498	1	54	0.0	-68.03	402.32	7.67	-60.36
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012825499	0	51	0.0	-74.47	386.30	3.64	-70.83
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012825499	1	51	0.0	-74.39	386.30	3.62	-70.77
COCCC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825500	0	48	0.0	-69.42	374.21	4.56	-64.86
COCCC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825500	1	48	0.0	-69.45	373.71	4.55	-64.90
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC[N@@H+]1CCC(C)(C)C1	REAL300012825501	0	53	0.0	-67.38	388.50	8.84	-58.54
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC[N@H+]1CCC(C)(C)C1	REAL300012825501	1	53	0.0	-67.97	389.42	9.00	-58.97
CC1(C)CC[N@H+](CCNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012825502	0	44	0.0	-65.03	350.89	5.95	-59.08
CC1(C)CC[N@@H+](CCNC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012825502	1	44	0.0	-69.58	353.13	5.73	-63.85
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+]1CCC(C)(C)C1	REAL300012825503	0	54	0.0	-77.50	394.38	9.92	-67.58
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+]1CCC(C)(C)C1	REAL300012825503	1	54	0.0	-75.43	393.42	9.79	-65.64
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@@H+]1CCC(C)(C)C1	REAL300012825504	0	54	0.0	-46.57	409.25	11.29	-35.28
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@H+]1CCC(C)(C)C1	REAL300012825504	1	54	0.0	-46.70	408.75	11.28	-35.42
CCC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012825505	0	54	0.0	-68.20	418.44	9.70	-58.50
CCC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012825505	1	54	0.0	-68.27	417.86	9.66	-58.61
CCC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012825506	0	54	0.0	-71.33	401.64	9.16	-62.17
CCC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012825506	1	54	0.0	-71.11	401.14	9.13	-61.98
COC1CCCC(C(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])C1	REAL300012825507	0	58	0.0	-75.33	426.95	6.64	-68.69
COC1CCCC(C(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])C1	REAL300012825507	1	58	0.0	-74.40	425.79	6.71	-67.69
COC1(CC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])CCC1	REAL300012825508	0	55	0.0	-69.88	409.65	6.95	-62.93
COC1(CC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])CCC1	REAL300012825508	1	55	0.0	-68.06	410.38	6.59	-61.47
CC1(C)CC[N@H+](CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012825509	0	52	0.0	-54.70	382.96	7.13	-47.57
CC1(C)CC[N@@H+](CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012825509	1	52	0.0	-54.41	383.48	7.14	-47.27
CC1(C)CC[N@H+](CCNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012825510	0	54	0.0	-54.61	391.92	9.51	-45.10
CC1(C)CC[N@@H+](CCNC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012825510	1	54	0.0	-54.27	392.45	9.52	-44.75
C[C@H]1CC[C@@](NC(=O)NCC[N@@H+]2CCC(C)(C)C2)(C(=O)[O-])CC1	REAL300012825511	0	54	0.0	-72.53	383.55	8.01	-64.52
C[C@H]1CC[C@@](NC(=O)NCC[N@H+]2CCC(C)(C)C2)(C(=O)[O-])CC1	REAL300012825511	1	54	0.0	-72.49	383.62	8.02	-64.47
COC1=CC=CC(C(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])=C1	REAL300012825512	0	52	0.0	-72.56	406.20	6.88	-65.68
COC1=CC=CC(C(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])=C1	REAL300012825512	1	52	0.0	-72.93	405.96	6.79	-66.14
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300012825513	0	48	0.0	-71.51	391.54	7.99	-63.52
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300012825513	1	48	0.0	-70.76	390.46	7.98	-62.78
CC(CCF)(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825514	0	47	0.0	-65.78	351.34	5.93	-59.85
CC(CCF)(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825514	1	47	0.0	-65.57	351.00	5.94	-59.63
CC1(C)CC[N@H+](CCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012825515	0	49	0.0	-59.90	373.48	7.95	-51.95
CC1(C)CC[N@@H+](CCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012825515	1	49	0.0	-58.18	374.41	8.09	-50.09
CC1(C)CC[N@H+](CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012825516	0	45	0.0	-70.41	354.20	7.08	-63.33
CC1(C)CC[N@@H+](CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012825516	1	45	0.0	-69.60	352.74	7.16	-62.44
COC1=CC=CC([C@H](NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])=C1	REAL300012825517	0	52	0.0	-73.10	406.41	6.79	-66.31
COC1=CC=CC([C@H](NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])=C1	REAL300012825517	1	52	0.0	-72.33	405.30	6.81	-65.52
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1	REAL300012825518	0	54	0.0	-73.01	406.58	8.29	-64.72
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC[N@H+]2CCC(C)(C)C2)C1	REAL300012825518	1	54	0.0	-76.93	405.59	9.15	-67.78
COC1=CC=CC(CC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])=C1	REAL300012825519	0	55	0.0	-69.70	428.61	7.75	-61.95
COC1=CC=CC(CC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])=C1	REAL300012825519	1	55	0.0	-74.36	428.15	7.74	-66.62
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012825520	0	57	0.0	-73.54	397.70	8.51	-65.03
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012825520	1	57	0.0	-73.78	398.21	8.52	-65.26
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825521	0	54	0.0	-68.05	419.02	9.16	-58.89
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825521	1	54	0.0	-67.87	418.57	9.14	-58.73
CC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012825522	0	53	0.0	-66.01	412.98	8.96	-57.05
CC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012825522	1	53	0.0	-74.48	412.47	8.94	-65.54
COC1CN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)C(C)(C(=O)[O-])C1	REAL300012825523	0	52	0.0	-72.07	389.46	6.92	-65.15
COC1CN(C(=O)NCC[N@H+]2CCC(C)(C)C2)C(C)(C(=O)[O-])C1	REAL300012825523	1	52	0.0	-74.09	387.96	6.92	-67.17
CC1(C)CC[N@H+](CCNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012825524	0	55	0.0	-68.72	407.43	6.93	-61.79
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012825524	1	55	0.0	-68.63	411.93	6.33	-62.30
C=C(Cl)CC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825525	0	45	0.0	-69.44	368.71	6.50	-62.94
C=C(Cl)CC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825525	1	45	0.0	-64.89	369.01	6.62	-58.27
CC1(C)CC[N@H+](CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012825526	0	49	0.0	-82.43	361.03	8.79	-73.64
CC1(C)CC[N@@H+](CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012825526	1	49	0.0	-82.91	361.65	8.77	-74.14
CC(CC1=CC=C(F)C=C1)(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825527	0	54	0.0	-68.76	408.70	8.71	-60.05
CC(CC1=CC=C(F)C=C1)(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825527	1	54	0.0	-68.59	408.25	8.69	-59.90
CC1(C)CC[N@H+](CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012825528	0	45	0.0	-69.12	352.46	7.50	-61.62
CC1(C)CC[N@@H+](CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012825528	1	45	0.0	-69.22	352.32	7.49	-61.73
CC1(C)CC[N@H+](CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012825529	0	45	0.0	-73.07	345.55	7.43	-65.64
CC1(C)CC[N@@H+](CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012825529	1	45	0.0	-73.08	345.45	7.42	-65.66
CC1(C)CC[N@H+](CCNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012825530	0	55	0.0	-71.29	411.74	6.24	-65.05
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012825530	1	55	0.0	-70.73	412.01	6.31	-64.42
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012825531	0	52	0.0	-72.23	384.20	5.28	-66.95
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012825531	1	52	0.0	-70.89	390.80	5.48	-65.41
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012825532	0	48	0.0	-70.13	376.21	7.58	-62.55
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012825532	1	48	0.0	-70.11	376.72	7.59	-62.52
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300012825533	0	51	0.0	-69.44	414.95	8.57	-60.87
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300012825533	1	51	0.0	-69.88	415.68	8.50	-61.38
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012825534	0	47	0.0	-69.60	385.21	5.63	-63.97
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012825534	1	47	0.0	-68.22	385.76	5.60	-62.62
CC(C)CCCC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825535	0	56	0.0	-69.41	422.85	8.28	-61.13
CC(C)CCCC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825535	1	56	0.0	-69.49	422.34	8.27	-61.22
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012825536	0	54	0.0	-68.11	428.33	8.90	-59.21
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012825536	1	54	0.0	-68.69	429.08	8.86	-59.83
CC1(C)CC[N@H+](CCNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012825537	0	52	0.0	-72.86	395.55	5.78	-67.08
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012825537	1	52	0.0	-68.00	395.16	6.27	-61.73
CSCC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825538	0	45	0.0	-66.96	364.48	5.78	-61.18
CSCC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825538	1	45	0.0	-66.83	363.74	5.83	-61.00
CC1(C)CC[N@H+](CCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012825539	0	51	0.0	-68.65	404.87	8.57	-60.08
CC1(C)CC[N@@H+](CCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012825539	1	51	0.0	-69.11	405.63	8.52	-60.59
CCC(C)CC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825540	0	53	0.0	-70.09	397.80	7.40	-62.69
CCC(C)CC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825540	1	53	0.0	-69.78	397.21	7.39	-62.39
C=CCCCC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825541	0	51	0.0	-69.03	395.84	7.59	-61.44
C=CCCCC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825541	1	51	0.0	-69.59	396.59	7.55	-62.04
CC1(C)CC[N@H+](CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012825542	0	51	0.0	-69.09	405.05	8.51	-60.58
CC1(C)CC[N@@H+](CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012825542	1	51	0.0	-69.29	405.57	8.51	-60.78
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012825543	0	54	0.0	-69.00	417.56	9.89	-59.11
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012825543	1	54	0.0	-73.60	416.73	9.69	-63.91
CC1(C)CC[N@H+](CCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012825544	0	46	0.0	-75.92	350.13	8.45	-67.47
CC1(C)CC[N@@H+](CCNC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012825544	1	46	0.0	-76.91	350.61	8.58	-68.33
CC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012825545	0	51	0.0	-70.56	384.73	8.28	-62.28
CC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012825545	1	51	0.0	-70.33	384.24	8.27	-62.06
CC1(C)CC[N@H+](CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012825546	0	49	0.0	-80.92	361.18	8.89	-72.03
CC1(C)CC[N@@H+](CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012825546	1	49	0.0	-80.55	360.97	8.92	-71.63
CC1(C)CC[N@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012825547	0	44	0.0	-65.23	352.82	7.74	-57.49
CC1(C)CC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012825547	1	44	0.0	-65.17	353.15	7.73	-57.44
CC1(C)CC[N@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012825548	0	44	0.0	-65.23	352.82	7.74	-57.49
CC1(C)CC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012825548	1	44	0.0	-65.17	353.15	7.73	-57.44
CC1(C)CC[N@H+](CCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012825549	0	57	0.0	-56.10	426.54	5.71	-50.39
CC1(C)CC[N@@H+](CCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012825549	1	57	0.0	-55.90	427.04	5.73	-50.17
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1	REAL300012825550	1	61	0.0	-55.57	452.24	5.60	-49.97
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1	REAL300012825550	1	61	0.0	-55.68	451.74	5.58	-50.10
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@@H+]1CCC(C)(C)C1	REAL300012825551	0	52	0.0	-52.03	393.84	10.20	-41.83
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@H+]1CCC(C)(C)C1	REAL300012825551	1	52	0.0	-52.18	393.32	10.20	-41.98
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC[N@@H+]2CCC(C)(C)C2)[C@H]1C(=O)[O-]	REAL300012825552	0	55	0.0	-58.90	403.32	10.57	-48.33
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC[N@H+]2CCC(C)(C)C2)[C@H]1C(=O)[O-]	REAL300012825552	1	55	0.0	-61.14	402.97	10.47	-50.67
CC1(C)CC[N@H+](CCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012825553	0	53	0.0	-68.90	396.17	8.64	-60.26
CC1(C)CC[N@@H+](CCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012825553	1	53	0.0	-69.91	396.51	8.61	-61.30
CC1(C)CC[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012825554	0	48	0.0	-70.63	376.46	7.50	-63.13
CC1(C)CC[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012825554	1	48	0.0	-70.15	376.72	7.59	-62.56
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012825555	0	51	0.0	-66.40	414.95	8.58	-57.82
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300012825555	1	51	0.0	-66.81	415.68	8.50	-58.31
CC1(C)CC[N@H+](CCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012825556	0	53	0.0	-71.25	416.31	7.51	-63.74
CC1(C)CC[N@@H+](CCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012825556	1	53	0.0	-71.23	416.82	7.52	-63.71
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012825557	0	47	0.0	-72.59	385.26	5.44	-67.15
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012825557	1	47	0.0	-72.07	385.53	5.51	-66.56
CC1(C)CC[N@H+](CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012825558	0	48	0.0	-65.69	403.91	7.25	-58.44
CC1(C)CC[N@@H+](CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012825558	1	48	0.0	-66.03	405.01	7.32	-58.71
CC1(C)CC[N@H+](CCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012825559	0	48	0.0	-85.03	369.53	4.89	-80.14
CC1(C)CC[N@@H+](CCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012825559	1	48	0.0	-83.95	368.70	4.62	-79.33
CN1CC(C(=O)[O-])N(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1=O	REAL300012825560	0	49	0.0	-70.30	367.51	6.62	-63.68
CN1CC(C(=O)[O-])N(C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1=O	REAL300012825560	1	49	0.0	-70.23	367.36	6.60	-63.63
CC1(C)CC[N@H+](CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012825561	0	48	0.0	-70.77	376.41	7.50	-63.27
CC1(C)CC[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012825561	1	48	0.0	-69.93	376.31	7.53	-62.40
CC(CN1C=CC=N1)(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825562	0	51	0.0	-68.93	390.75	6.87	-62.06
CC(CN1C=CC=N1)(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825562	1	51	0.0	-71.76	385.81	6.84	-64.92
CC1(C)CC[N@H+](CCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012825563	0	51	0.0	-54.20	374.54	8.80	-45.40
CC1(C)CC[N@@H+](CCNC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012825563	1	51	0.0	-54.12	375.99	8.88	-45.24
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012825564	0	49	0.0	-73.37	373.97	3.40	-69.97
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012825564	1	49	0.0	-73.36	373.85	3.42	-69.94
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825565	0	57	0.0	-70.21	420.53	6.66	-63.55
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825565	1	57	0.0	-70.13	420.02	6.65	-63.48
CC1CCC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)(C(=O)[O-])C1	REAL300012825566	0	51	0.0	-72.38	375.97	7.18	-65.20
CC1CCC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)(C(=O)[O-])C1	REAL300012825566	1	51	0.0	-72.68	375.31	7.12	-65.56
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012825567	0	54	0.0	-72.28	385.78	7.91	-64.37
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012825567	1	54	0.0	-72.79	384.60	7.78	-65.01
COCCC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825568	0	48	0.0	-69.42	374.21	4.56	-64.86
COCCC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825568	1	48	0.0	-69.45	373.71	4.55	-64.90
CN(C(=O)NCC[N@@H+]1CCC(C)(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012825569	0	54	0.0	-69.37	407.75	10.46	-58.91
CN(C(=O)NCC[N@H+]1CCC(C)(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012825569	1	54	0.0	-69.21	407.71	10.47	-58.74
CC1(C)CC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)(C(=O)[O-])C1	REAL300012825570	0	51	0.0	-73.90	378.07	7.82	-66.08
CC1(C)CC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)(C(=O)[O-])C1	REAL300012825570	1	51	0.0	-74.01	378.13	7.83	-66.18
CC1CCC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012825571	0	58	0.0	-72.77	425.61	9.82	-62.95
CC1CCC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012825571	1	58	0.0	-74.49	425.28	9.86	-64.63
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825572	0	57	0.0	-71.35	424.83	6.64	-64.71
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825572	1	57	0.0	-70.51	424.06	6.70	-63.81
CC1(C)CC[N@H+](CCNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012825573	0	56	0.0	-58.82	418.87	11.03	-47.79
CC1(C)CC[N@@H+](CCNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012825573	1	56	0.0	-58.67	419.09	11.06	-47.61
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012825574	0	49	0.0	-70.77	366.79	4.44	-66.33
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012825574	1	49	0.0	-67.24	372.99	4.54	-62.70
CC1(C)CC[N@H+](CCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012825575	0	49	0.0	-78.70	361.14	8.48	-70.22
CC1(C)CC[N@@H+](CCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012825575	1	49	0.0	-78.78	361.26	8.48	-70.30
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012825576	0	52	0.0	-78.05	408.55	7.56	-70.49
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012825576	1	52	0.0	-76.99	408.47	7.58	-69.41
CC1(C)CC[N@H+](CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012825577	0	47	0.0	-76.10	352.95	6.24	-69.86
CC1(C)CC[N@@H+](CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012825577	1	47	0.0	-76.14	353.38	6.24	-69.90
CC1CCC(C(=O)[O-])N(C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1	REAL300012825578	0	51	0.0	-78.97	367.00	9.46	-69.51
CC1CCC(C(=O)[O-])N(C(=O)NCC[N@H+]2CCC(C)(C)C2)C1	REAL300012825578	1	51	0.0	-77.48	371.75	9.12	-68.36
CC(C1=CC=CC=C1)C(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825579	0	54	0.0	-71.06	406.36	8.49	-62.57
CC(C1=CC=CC=C1)C(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825579	1	54	0.0	-68.87	413.60	8.76	-60.11
CC1(C)CC[N@H+](CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012825580	0	55	0.0	-69.70	408.46	9.22	-60.48
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012825580	1	55	0.0	-69.96	413.46	8.57	-61.39
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012825581	0	61	0.0	-71.55	433.63	8.28	-63.27
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012825581	1	61	0.0	-71.41	433.64	8.17	-63.24
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012825582	0	54	0.0	-70.99	398.95	7.89	-63.10
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012825582	1	54	0.0	-69.52	397.53	7.91	-61.61
CC1(C)CC[N@H+](CCNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012825583	0	55	0.0	-73.24	414.47	6.60	-66.64
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012825583	1	55	0.0	-68.40	412.78	7.23	-61.17
CC1(C)CC[N@H+](CCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012825584	0	55	0.0	-47.59	386.01	9.13	-38.46
CC1(C)CC[N@@H+](CCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012825584	1	55	0.0	-47.48	386.83	9.16	-38.32
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012825585	0	55	0.0	-73.05	390.30	6.45	-66.60
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012825585	1	55	0.0	-72.99	390.82	6.46	-66.53
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300012825586	0	54	0.0	-71.81	429.77	9.91	-61.90
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CSC3=CC=CC=C23)C(=O)[O-])C1	REAL300012825586	1	54	0.0	-71.50	437.33	9.72	-61.78
CC1=CC=CC2=C1CCN(C(=O)NCC[N@@H+]1CCC(C)(C)C1)C2C(=O)[O-]	REAL300012825587	0	55	0.0	-83.56	404.82	10.96	-72.60
CC1=CC=CC2=C1CCN(C(=O)NCC[N@H+]1CCC(C)(C)C1)C2C(=O)[O-]	REAL300012825587	1	55	0.0	-59.77	408.16	10.43	-49.34
CC1(C)CC[N@H+](CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012825588	0	49	0.0	-50.03	362.87	8.32	-41.71
CC1(C)CC[N@@H+](CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012825588	1	49	0.0	-50.02	361.72	8.35	-41.67
CC1(C)CC[N@H+](CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012825589	0	55	0.0	-69.70	408.46	9.22	-60.48
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012825589	1	55	0.0	-69.96	413.46	8.57	-61.39
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012825590	0	51	0.0	-71.97	404.23	8.51	-63.46
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012825590	1	51	0.0	-72.22	405.27	8.60	-63.62
COC1CC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)(C(=O)[O-])C1	REAL300012825591	0	49	0.0	-69.40	373.47	5.00	-64.40
COC1CC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)(C(=O)[O-])C1	REAL300012825591	1	49	0.0	-69.22	373.41	4.98	-64.24
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012825592	0	45	0.0	-65.69	354.39	6.40	-59.29
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012825592	1	45	0.0	-65.83	354.54	6.42	-59.41
CO[C@H]1C[C@](NC(=O)NCC[N@@H+]2CCC(C)(C)C2)(C(=O)[O-])C1	REAL300012825593	0	49	0.0	-69.29	372.95	5.00	-64.29
CO[C@H]1C[C@](NC(=O)NCC[N@H+]2CCC(C)(C)C2)(C(=O)[O-])C1	REAL300012825593	1	49	0.0	-70.42	373.32	5.39	-65.03
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012825594	0	48	0.0	-72.74	380.40	7.18	-65.56
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012825594	1	48	0.0	-67.96	382.02	6.92	-61.04
CCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+]1CCC(C)(C)C1	REAL300012825595	0	51	0.0	-75.45	372.53	9.05	-66.40
CCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+]1CCC(C)(C)C1	REAL300012825595	1	51	0.0	-75.07	369.88	8.78	-66.29
CC1(C)CC[N@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012825596	0	44	0.0	-63.22	355.38	6.14	-57.08
CC1(C)CC[N@@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012825596	1	44	0.0	-63.44	356.47	6.21	-57.23
CC1(C)CC[N@H+](CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012825597	0	52	0.0	-71.59	394.03	5.52	-66.07
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012825597	1	52	0.0	-72.05	394.78	5.46	-66.59
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012825598	0	48	0.0	-70.69	390.53	7.50	-63.19
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012825598	1	48	0.0	-70.89	391.09	7.50	-63.39
COCC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012825599	0	55	0.0	-69.40	417.92	7.51	-61.89
COCC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012825599	1	55	0.0	-69.30	417.20	7.47	-61.83
CC1(C)CC[N@H+](CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012825600	0	49	0.0	-76.75	362.31	8.08	-68.67
CC1(C)CC[N@@H+](CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012825600	1	49	0.0	-76.71	362.36	8.12	-68.59
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@@H+]1CCC(C)(C)C1	REAL300012825601	0	54	0.0	-46.57	409.25	11.29	-35.28
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC[N@H+]1CCC(C)(C)C1	REAL300012825601	1	54	0.0	-46.70	408.75	11.28	-35.42
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300012825602	0	55	0.0	-70.87	437.95	8.03	-62.84
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C1	REAL300012825602	1	55	0.0	-73.91	438.40	8.02	-65.89
CC1(C)CC[N@H+](CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012825603	0	57	0.0	-69.63	420.40	8.70	-60.93
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012825603	1	57	0.0	-69.60	420.91	8.71	-60.89
CC1(C)CC[N@H+](CCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012825604	0	54	0.0	-70.67	421.68	9.22	-61.45
CC1(C)CC[N@@H+](CCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012825604	1	54	0.0	-70.87	422.19	9.22	-61.65
CC1(C)CC[N@H+](CCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012825605	0	54	0.0	-70.63	421.67	9.22	-61.41
CC1(C)CC[N@@H+](CCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012825605	1	54	0.0	-70.68	422.19	9.23	-61.45
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012825606	0	55	0.0	-71.84	402.54	8.04	-63.80
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012825606	1	55	0.0	-72.06	403.22	8.08	-63.98
CC1(C)CC[N@H+](CCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012825607	0	57	0.0	-69.66	420.40	8.70	-60.96
CC1(C)CC[N@@H+](CCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012825607	1	57	0.0	-69.60	420.91	8.71	-60.89
CC1(C)CC[N@H+](CCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012825608	0	57	0.0	-70.21	420.60	8.62	-61.59
CC1(C)CC[N@@H+](CCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012825608	1	57	0.0	-69.50	420.28	8.65	-60.85
CC1(C)CC[N@H+](CCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012825609	0	55	0.0	-49.62	401.63	9.28	-40.34
CC1(C)CC[N@@H+](CCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012825609	1	55	0.0	-49.13	401.35	9.30	-39.83
CC1(C)CC[N@H+](CCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012825610	0	55	0.0	-77.14	398.76	9.25	-67.89
CC1(C)CC[N@@H+](CCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012825610	1	55	0.0	-77.90	397.62	9.00	-68.90
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300012825611	0	55	0.0	-74.78	440.77	8.04	-66.74
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(OCC(F)F)C=C2)C1	REAL300012825611	1	55	0.0	-74.79	441.10	8.02	-66.77
COC1=CC=C(CC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1	REAL300012825612	0	55	0.0	-70.65	428.65	7.74	-62.91
COC1=CC=C(CC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1	REAL300012825612	1	55	0.0	-71.96	428.20	7.74	-64.22
C=CCSCC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825613	0	49	0.0	-66.01	397.34	7.32	-58.69
C=CCSCC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825613	1	49	0.0	-66.27	398.51	7.30	-58.97
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012825614	0	52	0.0	-70.61	419.52	8.84	-61.77
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012825614	1	52	0.0	-70.77	419.95	8.84	-61.93
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300012825615	0	55	0.0	-74.31	430.78	8.65	-65.66
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])C1	REAL300012825615	1	55	0.0	-74.44	431.11	8.63	-65.81
COC1(C(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])CCC1	REAL300012825616	0	52	0.0	-74.14	388.29	6.19	-67.95
COC1(C(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])CCC1	REAL300012825616	1	52	0.0	-66.24	387.88	5.10	-61.14
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012825617	0	54	0.0	-73.64	402.19	8.47	-65.17
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012825617	1	54	0.0	-70.52	395.02	7.70	-62.82
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012825618	0	55	0.0	-72.32	407.77	9.56	-62.76
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012825618	1	55	0.0	-72.39	408.20	9.58	-62.81
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012825619	0	48	0.0	-76.60	373.72	6.96	-69.64
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012825619	1	48	0.0	-68.57	371.67	6.87	-61.70
CC(C)(C)C1=CC=C(C(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1	REAL300012825621	0	60	0.0	-70.17	453.15	9.83	-60.34
CC(C)(C)C1=CC=C(C(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1	REAL300012825621	1	60	0.0	-69.55	452.01	9.84	-59.71
CC(C)C1=CC=C(C(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1	REAL300012825622	0	57	0.0	-70.20	437.02	9.42	-60.78
CC(C)C1=CC=C(C(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1	REAL300012825622	1	57	0.0	-69.52	436.03	9.45	-60.07
CC1(C)CC[N@H+](CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012825623	0	45	0.0	-73.07	345.55	7.43	-65.64
CC1(C)CC[N@@H+](CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012825623	1	45	0.0	-73.08	345.45	7.42	-65.66
CC1(C)CC[N@H+](CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012825624	0	47	0.0	-49.34	354.87	8.17	-41.17
CC1(C)CC[N@@H+](CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012825624	1	47	0.0	-50.04	355.29	8.15	-41.89
CC1(C)CC[N@H+](CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012825625	0	51	0.0	-76.95	375.46	7.94	-69.01
CC1(C)CC[N@@H+](CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012825625	1	51	0.0	-75.91	374.43	8.27	-67.64
CCOC1=CC=C(C(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1	REAL300012825626	0	55	0.0	-70.41	428.09	7.70	-62.71
CCOC1=CC=C(C(NC(=O)NCC[N@H+]2CCC(C)(C)C2)C(=O)[O-])C=C1	REAL300012825626	1	55	0.0	-70.33	427.76	7.72	-62.61
CC1(C)CC[N@H+](CCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012825627	0	55	0.0	-76.99	395.86	9.99	-67.00
CC1(C)CC[N@@H+](CCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012825627	1	55	0.0	-78.22	395.00	10.18	-68.04
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012825628	0	55	0.0	-70.04	418.78	9.56	-60.48
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012825628	1	55	0.0	-70.26	419.07	9.51	-60.75
CC(COC1=CC=CC=C1)(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825629	0	55	0.0	-74.71	419.38	8.55	-66.16
CC(COC1=CC=CC=C1)(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825629	1	55	0.0	-74.77	418.87	8.53	-66.24
CC1(C)CC[N@H+](CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012825630	0	51	0.0	-65.95	406.65	8.75	-57.20
CC1(C)CC[N@@H+](CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012825630	1	51	0.0	-66.69	407.41	8.70	-57.99
CC(C)CCC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825631	0	53	0.0	-69.63	401.35	7.50	-62.13
CC(C)CCC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825631	1	53	0.0	-69.10	400.60	7.55	-61.55
CC1(C)CC[N@H+](CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012825632	0	52	0.0	-49.93	387.12	8.74	-41.19
CC1(C)CC[N@@H+](CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012825632	1	52	0.0	-49.89	387.29	8.80	-41.09
CC1(C)CC[N@H+](CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012825633	0	52	0.0	-71.59	394.03	5.52	-66.07
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012825633	1	52	0.0	-72.05	394.78	5.46	-66.59
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1	REAL300012825634	0	49	0.0	-73.23	382.11	8.49	-64.74
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+]2CCC(C)(C)C2)C1	REAL300012825634	1	49	0.0	-73.31	382.08	8.49	-64.82
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012825635	0	52	0.0	-71.80	378.26	8.01	-63.79
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012825635	1	52	0.0	-74.18	375.86	8.28	-65.90
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012825636	0	49	0.0	-74.29	362.64	7.41	-66.88
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012825636	1	49	0.0	-74.27	363.06	7.42	-66.85
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012825637	0	52	0.0	-74.09	390.23	7.98	-66.11
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012825637	1	52	0.0	-74.00	390.51	8.01	-65.99
CN(C(=O)NCC[N@@H+]1CCC(C)(C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012825638	0	54	0.0	-69.28	407.74	10.46	-58.82
CN(C(=O)NCC[N@H+]1CCC(C)(C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012825638	1	54	0.0	-69.28	407.26	10.36	-58.92
CC1(C)CC[N@H+](CCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012825639	0	58	0.0	-49.67	416.24	9.73	-39.94
CC1(C)CC[N@@H+](CCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012825639	1	58	0.0	-49.78	416.42	9.73	-40.05
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012825640	0	51	0.0	-70.74	381.68	7.10	-63.64
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012825640	1	51	0.0	-70.80	384.88	7.11	-63.69
CO[C@H](C)[C@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825641	0	48	0.0	-70.77	370.78	4.67	-66.10
CO[C@H](C)[C@H](NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825641	1	48	0.0	-70.73	370.28	4.66	-66.07
CC1(C)CC[N@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012825642	0	51	0.0	-54.81	397.15	10.24	-44.57
CC1(C)CC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012825642	1	51	0.0	-54.83	397.53	10.23	-44.60
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300012825643	0	58	0.0	-70.30	450.00	10.93	-59.37
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300012825643	1	58	0.0	-70.54	450.89	10.99	-59.55
CC1(C)CC(C(=O)[O-])N(C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1	REAL300012825644	0	51	0.0	-49.91	378.82	8.13	-41.78
CC1(C)CC(C(=O)[O-])N(C(=O)NCC[N@H+]2CCC(C)(C)C2)C1	REAL300012825644	1	51	0.0	-49.56	378.85	8.13	-41.43
CC1(C)CC[N@H+](CCNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012825645	0	52	0.0	-56.27	403.60	9.88	-46.39
CC1(C)CC[N@@H+](CCNC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012825645	1	52	0.0	-54.51	403.32	10.01	-44.50
CC1(C)CC[N@H+](CCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012825646	0	48	0.0	-75.41	361.15	8.40	-67.01
CC1(C)CC[N@@H+](CCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012825646	1	48	0.0	-76.69	361.88	8.65	-68.04
CC1(C)CC[N@H+](CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012825647	0	45	0.0	-76.39	350.47	7.33	-69.06
CC1(C)CC[N@@H+](CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012825647	1	45	0.0	-75.93	349.34	7.53	-68.40
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012825648	0	51	0.0	-71.97	404.23	8.51	-63.46
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012825648	1	51	0.0	-72.22	405.27	8.60	-63.62
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012825649	0	48	0.0	-70.07	389.58	7.35	-62.72
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012825649	1	48	0.0	-69.14	389.80	7.45	-61.69
CC1(C)CC[N@H+](CCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012825650	0	48	0.0	-68.54	368.22	8.00	-60.54
CC1(C)CC[N@@H+](CCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012825650	1	48	0.0	-68.59	368.62	8.03	-60.56
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012825651	0	52	0.0	-73.35	403.34	8.18	-65.17
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012825651	1	52	0.0	-71.84	403.10	8.18	-63.66
CC1(C)CC[N@H+](CCNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012825652	0	56	0.0	-74.02	427.58	9.79	-64.23
CC1(C)CC[N@@H+](CCNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012825652	1	56	0.0	-74.09	426.30	9.74	-64.35
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012825653	0	48	0.0	-70.07	389.58	7.35	-62.72
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012825653	1	48	0.0	-69.14	389.80	7.45	-61.69
CC1(C)CC[N@H+](CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012825654	0	52	0.0	-77.89	377.92	8.70	-69.19
CC1(C)CC[N@@H+](CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012825654	1	52	0.0	-77.69	377.93	8.71	-68.98
COCCCC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825655	0	51	0.0	-68.34	395.71	5.33	-63.01
COCCCC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825655	1	51	0.0	-68.93	395.45	5.26	-63.67
CCOCC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825656	0	48	0.0	-71.22	374.50	4.65	-66.57
CCOCC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825656	1	48	0.0	-71.32	373.98	4.64	-66.68
CC(C)(C)CC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825657	0	53	0.0	-69.50	391.37	7.88	-61.62
CC(C)(C)CC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300012825657	1	53	0.0	-70.16	391.11	7.81	-62.35
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012825658	0	52	0.0	-71.70	391.85	6.02	-65.68
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012825658	1	52	0.0	-71.44	389.51	5.59	-65.85
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300012825659	0	48	0.0	-69.43	397.76	8.12	-61.31
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300012825659	1	48	0.0	-69.45	398.23	8.12	-61.33
CC1(C)CC[N@H+](CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012825660	0	52	0.0	-72.43	396.19	8.73	-63.70
CC1(C)CC[N@@H+](CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012825660	1	52	0.0	-72.46	396.43	8.80	-63.66
C[C@H]1OCCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)[C@@H]1C(=O)[O-]	REAL300012825661	0	49	0.0	-76.41	362.04	6.88	-69.53
C[C@H]1OCCN(C(=O)NCC[N@H+]2CCC(C)(C)C2)[C@@H]1C(=O)[O-]	REAL300012825661	1	49	0.0	-76.73	361.68	6.90	-69.83
CC1(C)CC[N@H+](CCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012825662	0	51	0.0	-72.48	381.55	8.26	-64.22
CC1(C)CC[N@@H+](CCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012825662	1	51	0.0	-69.89	382.12	8.32	-61.57
CC1(C)CC[N@H+](CCNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012825663	0	62	0.0	-74.20	432.84	9.54	-64.66
CC1(C)CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012825663	1	62	0.0	-74.16	433.29	9.53	-64.63
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012825664	0	54	0.0	-73.42	428.37	8.75	-64.67
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012825664	1	54	0.0	-73.49	428.88	8.76	-64.73
CC1(C)CC[N@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012825665	0	48	0.0	-55.96	378.87	8.38	-47.58
CC1(C)CC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012825665	1	48	0.0	-56.57	373.81	8.14	-48.43
CC1(C)CC[N@H+](CCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012825666	0	59	0.0	-75.93	411.42	8.96	-66.97
CC1(C)CC[N@@H+](CCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012825666	1	59	0.0	-75.23	410.49	8.96	-66.27
CC1(C)CC[N@H+](CCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012825667	0	50	0.0	-66.51	410.44	7.07	-59.44
CC1(C)CC[N@@H+](CCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012825667	1	50	0.0	-66.60	410.93	7.07	-59.53
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+]2CCC(C)(C)C2)C1	REAL300012825668	0	52	0.0	-75.26	394.67	7.31	-67.95
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+]2CCC(C)(C)C2)C1	REAL300012825668	1	52	0.0	-72.01	393.87	7.39	-64.62
CC(CC1=CC=CN=C1)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012826095	0	55	0.0	-69.68	425.82	7.38	-62.30
CN1N=NN=C1CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012826342	0	54	0.0	-64.96	419.12	4.71	-60.25
CN1C=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012826544	0	50	0.0	-65.93	393.25	6.69	-59.24
C=C1CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012826936	0	51	0.0	-58.22	387.79	6.75	-51.47
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=C(Cl)C=CS2)CC1	REAL300012827153	0	47	0.0	-63.74	396.69	6.95	-56.79
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CC(CO2)CCC3)CC1	REAL300012827410	0	58	0.0	-67.28	422.43	6.40	-60.88
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCOC2(C)CCOCC2)CC1	REAL300012827709	0	61	0.0	-66.17	451.92	5.19	-60.98
CN(C)C1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N=C1	REAL300012828001	0	57	0.0	-69.12	437.47	5.92	-63.20
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C3CCOCC3)CC2)CC1	REAL300012828290	0	61	0.0	-64.49	448.01	7.48	-57.01
CCC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C(C)C	REAL300012828998	0	58	0.0	-58.28	415.58	7.34	-50.94
COCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300012829534	0	57	0.0	-59.93	440.94	7.33	-52.60
CCC(C)[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012829885	0	53	0.0	-69.21	388.39	7.57	-61.64
C=CCOCC(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012829886	0	52	0.0	-71.68	393.35	5.97	-65.71
C=CC(C)C(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012829887	0	51	0.0	-70.93	372.43	7.01	-63.92
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012829888	0	55	0.0	-69.80	393.97	6.15	-63.65
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300012829889	0	51	0.0	-65.64	395.75	8.34	-57.30
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300012829890	0	51	0.0	-65.51	405.64	8.78	-56.73
CCC(C)[NH+]1CCC(NC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300012829891	0	55	0.0	-80.26	389.16	8.30	-71.96
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012829892	0	55	0.0	-69.43	391.24	5.95	-63.48
CCC(C)[NH+]1CCC(NC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012829893	0	54	0.0	-77.69	370.51	9.41	-68.28
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300012829894	0	54	0.0	-67.68	409.50	9.00	-58.68
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300012829895	0	56	0.0	-70.89	418.94	8.06	-62.83
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300012829896	0	57	0.0	-71.77	425.53	9.61	-62.16
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300012829897	0	57	0.0	-71.62	421.23	9.50	-62.12
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)CC1	REAL300012829898	0	55	0.0	-68.43	428.33	8.16	-60.27
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300012829899	0	57	0.0	-69.31	411.97	9.23	-60.08
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300012829900	0	55	0.0	-69.23	418.76	7.60	-61.63
CCC(C)[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012829901	0	54	0.0	-58.70	379.32	9.14	-49.56
CCCN(C(=O)NC1CC[NH+](C(C)CC)CC1)C(COC)C(=O)[O-]	REAL300012829902	0	57	0.0	-68.60	403.88	8.31	-60.29
CCCN(C(=O)NC1CC[NH+](C(C)CC)CC1)C(CC)C(=O)[O-]	REAL300012829903	0	56	0.0	-74.59	399.07	10.57	-64.02
CCC(C)[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012829904	0	51	0.0	-79.13	356.76	9.32	-69.81
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012829905	0	51	0.0	-66.67	399.63	8.72	-57.95
CCC(C)[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012829906	0	49	0.0	-75.82	356.48	9.06	-66.76
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012829907	0	54	0.0	-72.65	376.38	8.34	-64.31
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012829908	0	51	0.0	-72.64	361.87	7.25	-65.39
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012829909	0	57	0.0	-73.20	382.04	9.02	-64.18
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012829910	0	54	0.0	-71.37	405.29	9.16	-62.21
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012829911	0	54	0.0	-58.09	403.79	10.97	-47.12
CCC(C)[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012829912	0	51	0.0	-71.05	382.70	8.28	-62.77
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012829913	0	51	0.0	-70.81	382.81	8.30	-62.51
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012829914	0	54	0.0	-71.37	405.29	9.16	-62.21
CCC(C)C(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012829915	0	53	0.0	-70.21	376.45	7.09	-63.12
CCC(C)[NH+]1CCC(NC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012829916	0	51	0.0	-79.13	356.76	9.32	-69.81
CCCC(C)(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012829917	0	53	0.0	-68.88	372.50	7.26	-61.62
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012829918	0	53	0.0	-57.91	380.94	9.23	-48.68
CCC(C)[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300012829919	0	55	0.0	-78.36	394.51	11.21	-67.15
CCC(C)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012829920	0	51	0.0	-68.49	360.35	7.26	-61.23
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012829921	0	48	0.0	-69.68	374.56	7.29	-62.39
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012829922	0	54	0.0	-72.65	376.38	8.34	-64.31
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300012829923	0	54	0.0	-53.81	420.43	11.48	-42.33
CCC(C)[NH+]1CCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012829924	0	58	0.0	-70.56	433.43	9.24	-61.32
CCC(C)[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	REAL300012829925	0	53	0.0	-69.21	380.19	7.15	-62.06
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012829926	0	51	0.0	-72.64	361.87	7.25	-65.39
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300012829927	0	54	0.0	-54.04	410.10	11.02	-43.02
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012829928	0	55	0.0	-72.57	406.11	9.57	-63.00
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300012829929	0	51	0.0	-71.57	393.88	8.36	-63.21
CCC(C)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012829930	0	54	0.0	-71.61	391.07	8.97	-62.64
CCCCCCC(C)(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012829931	0	62	0.0	-69.11	437.00	9.60	-59.51
CCC(C)[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012829932	0	57	0.0	-69.03	413.87	11.08	-57.95
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012829933	0	51	0.0	-66.67	399.63	8.72	-57.95
CCC(C)[NH+]1CCC(NC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012829934	0	49	0.0	-75.66	348.06	6.65	-69.01
CCC(C)[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012829935	0	57	0.0	-75.65	389.33	9.69	-65.96
CCC(C)[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012829936	0	57	0.0	-58.92	426.20	11.74	-47.18
CCC(C)[NH+]1CCC(NC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012829937	0	54	0.0	-74.23	393.50	9.75	-64.48
CCC(C)[NH+]1CCC(NC(=O)N(CCOC)CC(=O)[O-])CC1	REAL300012829938	0	51	0.0	-58.80	376.17	7.15	-51.65
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC1	REAL300012829939	0	55	0.0	-73.06	397.61	9.26	-63.80
CCC(C)[NH+]1CCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012829940	0	51	0.0	-76.24	356.50	9.05	-67.19
CCC(C)[NH+]1CCC(NC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012829941	0	51	0.0	-76.07	366.36	8.64	-67.43
CCC(C)[NH+]1CCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012829942	0	58	0.0	-78.44	442.69	9.22	-69.22
CCC(C)[NH+]1CCC(NC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012829943	0	54	0.0	-78.40	369.46	9.71	-68.69
CCCCC(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012829944	0	53	0.0	-69.84	389.03	7.70	-62.14
CCC(C)[NH+]1CCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300012829945	0	57	0.0	-58.92	426.20	11.74	-47.18
CCC(C)[NH+]1CCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012829946	0	51	0.0	-76.10	362.73	8.57	-67.53
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012829947	0	54	0.0	-57.24	381.13	9.52	-47.72
CCC(C)[NH+]1CCC(NC(=O)NC(COC)C(=O)[O-])CC1	REAL300012829948	0	48	0.0	-71.62	358.24	4.37	-67.25
CCCCCC(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012829949	0	56	0.0	-69.67	411.36	8.47	-61.20
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(CC)CC2)CC1	REAL300012829950	0	60	0.0	-73.57	415.79	9.60	-63.97
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012829951	0	55	0.0	-57.56	389.56	7.86	-49.70
CCC(C)[NH+]1CCC(NC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012829952	0	54	0.0	-76.33	372.34	8.95	-67.38
CCC(C)[NH+]1CCC(NC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012829953	0	51	0.0	-58.84	363.91	8.55	-50.29
CCC(C)[NH+]1CCC(NC(=O)N(C(CC)C(=O)[O-])C2CC2)CC1	REAL300012829954	0	54	0.0	-59.51	384.56	9.68	-49.83
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300012829955	0	51	0.0	-70.86	393.06	8.62	-62.24
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012829956	0	51	0.0	-75.67	387.35	8.30	-67.37
CCC(C)[NH+]1CCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012829957	0	55	0.0	-59.50	397.89	10.64	-48.86
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300012829958	0	54	0.0	-72.48	419.08	9.42	-63.06
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300012829959	0	60	0.0	-75.27	449.15	11.28	-63.99
CCC(C)[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012829960	0	60	0.0	-69.90	427.03	9.42	-60.48
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012829961	0	57	0.0	-57.72	416.01	11.80	-45.92
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300012829962	0	54	0.0	-69.63	403.71	8.91	-60.72
CCC(C)[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012829963	0	47	0.0	-64.34	362.80	6.84	-57.50
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300012829964	0	57	0.0	-72.37	428.74	10.55	-61.82
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012829965	0	52	0.0	-69.02	374.08	8.04	-60.98
CCC(C)[NH+]1CCC(NC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300012829966	0	51	0.0	-73.07	369.25	5.79	-67.28
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)CC)CC1	REAL300012829967	0	54	0.0	-68.64	389.62	7.64	-61.00
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(C)C)CC1	REAL300012829968	0	53	0.0	-57.91	380.94	9.23	-48.68
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C(CC)C2=CC=CC=C2)CC1	REAL300012829969	0	60	0.0	-57.18	428.30	12.15	-45.03
CCC(C)[NH+]1CCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012829970	0	50	0.0	-57.90	384.43	9.10	-48.80
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012829971	0	49	0.0	-69.48	356.24	4.69	-64.79
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012829972	0	57	0.0	-71.47	399.84	8.41	-63.06
CCC(C)[NH+]1CCC(NC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012829973	0	58	0.0	-69.56	416.78	9.03	-60.53
CCC(C)[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC1	REAL300012829974	0	58	0.0	-76.18	422.05	12.16	-64.02
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012829975	0	52	0.0	-72.03	367.80	5.86	-66.17
C=CCCC(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012829976	0	51	0.0	-69.07	380.94	7.53	-61.54
CCC(C)[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)[O-])CC1	REAL300012829977	0	57	0.0	-48.10	412.91	11.97	-36.13
CCC(C)[NH+]1CCC(NC(=O)NC(CC)(CC)C(=O)[O-])CC1	REAL300012829978	0	53	0.0	-69.78	367.38	7.40	-62.38
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)CC1	REAL300012829979	0	55	0.0	-69.37	411.80	7.53	-61.84
CCC(C)N(CC(=O)[O-])C(=O)NC1CC[NH+](C(C)CC)CC1	REAL300012829980	0	53	0.0	-57.35	375.52	9.30	-48.05
CCC(C)[NH+]1CCC(NC(=O)NC(CC)(COC)C(=O)[O-])CC1	REAL300012829981	0	54	0.0	-74.32	385.70	6.70	-67.62
CCC(C)[NH+]1CCC(NC(=O)N(C)C(COC(C)C)C(=O)[O-])CC1	REAL300012829982	0	57	0.0	-69.18	409.90	8.39	-60.79
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC1	REAL300012829983	0	54	0.0	-73.69	396.61	4.38	-69.31
CCC(C)[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012829984	0	51	0.0	-70.50	378.47	7.68	-62.82
CCC(C)[NH+]1CCC(NC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012829985	0	51	0.0	-69.57	380.30	5.27	-64.30
CCC(C)[NH+]1CCC(NC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300012829986	0	56	0.0	-68.38	395.14	9.49	-58.89
CCC(C)[NH+]1CCC(NC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012829987	0	47	0.0	-66.04	357.49	6.67	-59.37
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC[NH+](C(C)CC)CC1	REAL300012829988	0	57	0.0	-78.56	401.22	10.58	-67.98
CCCN(C(=O)NC1CC[NH+](C(C)CC)CC1)C(C)C(=O)[O-]	REAL300012829989	0	53	0.0	-52.70	377.27	9.55	-43.15
CCC(C)[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012829990	0	57	0.0	-75.40	414.31	11.85	-63.55
CCC(C)[NH+]1CCC(NC(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300012829991	0	57	0.0	-67.24	424.36	10.36	-56.88
CCC(C)[NH+]1CCC(NC(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012829992	0	57	0.0	-71.70	407.81	9.88	-61.82
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300012829993	0	61	0.0	-74.45	433.31	7.35	-67.10
CCC(C)[NH+]1CCC(NC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012829994	0	47	0.0	-68.15	353.22	6.35	-61.80
CCC(C)[NH+]1CCC(NC(=O)NC(CC2(OC)CCC2)C(=O)[O-])CC1	REAL300012829995	0	58	0.0	-70.94	416.81	7.48	-63.46
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012829996	0	55	0.0	-57.56	389.56	7.86	-49.70
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012829997	0	57	0.0	-57.62	398.52	10.23	-47.39
CCC(C)[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012829998	0	57	0.0	-73.40	390.53	8.74	-64.66
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012829999	0	55	0.0	-73.12	412.30	7.58	-65.54
CCC(C)[NH+]1CCC(NC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012830000	0	50	0.0	-65.89	357.59	6.65	-59.24
CCC(C)[NH+]1CCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012830001	0	52	0.0	-61.51	384.34	8.87	-52.64
CCC(C)[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012830002	0	48	0.0	-71.23	360.84	7.81	-63.42
CCC(C)[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300012830003	0	55	0.0	-73.56	412.78	7.51	-66.05
CCC(C)[NH+]1CCC(NC(=O)N2CC(C(=O)OC)CCC2C(=O)[O-])CC1	REAL300012830004	0	57	0.0	-75.58	412.75	9.09	-66.49
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])CC1	REAL300012830005	0	58	0.0	-75.02	434.70	8.45	-66.57
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012830006	0	60	0.0	-74.30	404.16	9.21	-65.09
CCC(C)[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012830007	0	49	0.0	-80.77	352.86	8.68	-72.09
CCC(C)[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300012830008	0	57	0.0	-68.70	425.05	9.85	-58.85
CCC(C)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300012830009	0	56	0.0	-67.05	418.90	9.64	-57.41
CCC(C)[NH+]1CCC(NC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300012830010	0	55	0.0	-74.69	394.96	7.62	-67.07
CCC(C)[NH+]1CCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012830011	0	58	0.0	-68.61	418.51	6.98	-61.63
CCC(C)[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012830012	0	53	0.0	-70.83	381.40	7.31	-63.52
C=C(Cl)CC(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012830013	0	48	0.0	-70.30	375.30	7.22	-63.08
C=C(C)CC(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012830014	0	51	0.0	-70.29	380.00	7.46	-62.83
CCC(C)[NH+]1CCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012830015	0	52	0.0	-82.71	367.61	9.49	-73.22
CCC(C)[NH+]1CCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012830016	0	57	0.0	-69.32	414.74	9.40	-59.92
CCC(C)[NH+]1CCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012830017	0	48	0.0	-71.23	360.82	7.81	-63.42
CCC(C)[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012830018	0	48	0.0	-75.46	354.64	7.74	-67.72
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)CC)CC2)C1	REAL300012830019	0	49	0.0	-76.77	360.46	7.95	-68.82
CCC(C)[NH+]1CCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012830020	0	58	0.0	-69.54	413.88	7.68	-61.86
CCC(C)[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300012830021	0	53	0.0	-69.21	388.39	7.57	-61.64
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012830022	0	55	0.0	-69.80	393.97	6.15	-63.65
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012830023	0	51	0.0	-70.81	382.81	8.30	-62.51
CCC(C)[NH+]1CCC(NC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012830024	0	51	0.0	-70.50	378.47	7.68	-62.82
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012830025	0	50	0.0	-66.81	390.90	6.33	-60.48
CCC(C)[NH+]1CCC(NC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300012830026	0	59	0.0	-69.84	428.10	9.00	-60.84
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300012830027	0	57	0.0	-72.59	434.63	9.61	-62.98
CCC(C)[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012830028	0	55	0.0	-73.66	402.82	6.59	-67.07
CCC(C)[NH+]1CCC(NC(=O)NC(CSC)C(=O)[O-])CC1	REAL300012830029	0	48	0.0	-67.28	369.66	6.59	-60.69
CCC(C)[NH+]1CCC(NC(=O)N[C@@H](COC)C(=O)[O-])CC1	REAL300012830030	0	48	0.0	-70.32	358.62	4.37	-65.95
CCC(C)[NH+]1CCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012830031	0	54	0.0	-69.62	415.21	9.35	-60.27
CCC(C)CC(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012830032	0	56	0.0	-69.61	403.56	8.16	-61.45
C=CCCCC(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012830033	0	54	0.0	-70.00	402.68	8.26	-61.74
CCC(C)[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300012830034	0	54	0.0	-68.15	411.55	9.22	-58.93
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300012830035	0	57	0.0	-74.71	422.96	10.34	-64.37
CCC(C)[NH+]1CCC(NC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012830036	0	49	0.0	-75.82	356.48	9.06	-66.76
CCC(C)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012830037	0	54	0.0	-71.61	391.07	8.97	-62.64
CCC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012830038	0	52	0.0	-80.94	367.53	9.63	-71.31
CCC(C)[NH+]1CCC(NC(=O)N(CC)C(C)(C)C(=O)[O-])CC1	REAL300012830039	0	53	0.0	-71.82	371.51	8.90	-62.92
CCCN(C(=O)NC1CC[NH+](C(C)CC)CC1)C(C)C(=O)[O-]	REAL300012830040	0	53	0.0	-52.70	377.27	9.55	-43.15
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012830041	0	47	0.0	-65.40	359.41	8.46	-56.94
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012830042	0	47	0.0	-65.40	359.41	8.46	-56.94
CCC(C)[NH+]1CCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC1	REAL300012830043	0	60	0.0	-56.73	433.04	6.43	-50.30
CCC(C)[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012830044	0	49	0.0	-77.52	361.39	4.40	-73.12
CCC(C)[NH+]1CCC(NC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])CC1	REAL300012830045	1	64	0.0	-56.41	458.23	6.30	-50.11
CCC(C)[NH+]1CCC(NC(=O)N2C3=CC=CC(C)=C3CC2C(=O)[O-])CC1	REAL300012830046	0	55	0.0	-54.56	398.87	11.14	-43.42
CCC(C)[NH+]1CCC(NC(=O)N2C3=CC=CC=C3C[C@H](C)[C@@H]2C(=O)[O-])CC1	REAL300012830047	0	58	0.0	-61.64	409.32	11.20	-50.44
CCC(C)[NH+]1CCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012830048	0	56	0.0	-71.07	402.81	9.36	-61.71
CCC(C)[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012830049	0	51	0.0	-71.05	382.70	8.28	-62.77
CCC(C)[NH+]1CCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC1	REAL300012830050	0	56	0.0	-71.79	422.32	8.19	-63.60
C=CCCC(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012830051	0	51	0.0	-69.07	380.94	7.53	-61.54
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012830052	0	50	0.0	-72.72	391.48	6.21	-66.51
CCC(C)[NH+]1CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300012830053	0	51	0.0	-66.07	410.76	7.98	-58.09
CCC(C)[NH+]1CCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300012830054	0	51	0.0	-84.88	376.03	5.55	-79.33
CCC(C)[NH+]1CCC(NC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012830055	0	52	0.0	-69.91	373.22	7.17	-62.74
CCC(C)[NH+]1CCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012830056	0	51	0.0	-73.72	362.95	8.60	-65.12
CCC(C)[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012830057	0	51	0.0	-69.52	382.30	8.24	-61.28
CCC(C)[NH+]1CCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012830058	0	54	0.0	-68.71	397.01	7.58	-61.13
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012830059	0	54	0.0	-57.24	381.13	9.52	-47.72
CCC(C)[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	REAL300012830060	0	53	0.0	-69.21	380.19	7.15	-62.06
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012830061	0	52	0.0	-73.76	380.26	4.11	-69.65
CCC(C)[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1	REAL300012830062	0	60	0.0	-70.50	431.03	7.39	-63.11
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012830063	0	54	0.0	-72.73	386.68	7.91	-64.82
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012830064	0	57	0.0	-73.33	392.31	8.59	-64.74
CCC(C)[NH+]1CCC(NC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300012830065	0	51	0.0	-69.57	380.30	5.27	-64.30
CCC(C)[NH+]1CCC(NC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012830066	0	57	0.0	-69.03	413.87	11.08	-57.95
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012830067	0	54	0.0	-73.95	388.18	8.59	-65.36
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C)C3=CC=CC=C32)CC1	REAL300012830068	0	61	0.0	-75.77	431.64	10.58	-65.19
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012830069	0	51	0.0	-71.87	368.22	7.47	-64.40
CCC(C)[NH+]1CCC(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)CC1	REAL300012830070	0	60	0.0	-71.71	430.23	7.47	-64.24
CCC(C)[NH+]1CCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012830071	0	49	0.0	-82.63	356.33	4.54	-78.09
CCC(C)[NH+]1CCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC1	REAL300012830072	0	59	0.0	-60.64	425.12	11.80	-48.84
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012830073	0	52	0.0	-68.27	374.03	5.14	-63.13
CCC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012830074	0	52	0.0	-80.10	367.37	9.20	-70.90
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300012830075	0	55	0.0	-78.97	414.84	8.28	-70.69
CCC(C)[NH+]1CCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012830076	0	50	0.0	-76.57	360.34	6.95	-69.62
CCC(C)[NH+]1CCC(NC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012830077	0	54	0.0	-79.65	373.03	10.19	-69.46
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C(C)C2=CC=CC=C2)CC1	REAL300012830078	0	57	0.0	-71.72	422.03	9.58	-62.14
CCC(C)[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012830079	0	58	0.0	-69.65	415.09	9.95	-59.70
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012830080	0	51	0.0	-68.84	366.78	7.11	-61.73
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC1	REAL300012830081	0	64	0.0	-71.65	440.24	8.98	-62.67
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012830082	0	57	0.0	-71.47	399.84	8.41	-63.06
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012830083	0	51	0.0	-68.84	366.78	7.11	-61.73
CCC(C)[NH+]1CCC(NC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012830084	0	51	0.0	-76.18	361.81	8.21	-67.97
CCC(C)[NH+]1CCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012830085	0	58	0.0	-70.04	419.00	7.85	-62.19
CCC(C)[NH+]1CCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012830086	0	58	0.0	-51.18	396.34	9.93	-41.25
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012830087	0	58	0.0	-74.16	400.51	7.17	-66.99
CCC(C)[NH+]1CCC(NC(=O)N2CCC3=C(C)C=CC=C3C2C(=O)[O-])CC1	REAL300012830088	0	58	0.0	-62.44	415.90	11.10	-51.34
CCC(C)[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012830089	0	52	0.0	-52.79	368.69	9.08	-43.71
CCC(C)[NH+]1CCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012830090	0	58	0.0	-69.65	415.09	9.95	-59.70
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012830091	0	54	0.0	-72.65	411.37	9.28	-63.37
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(OC)C2)CC1	REAL300012830092	0	52	0.0	-75.72	385.10	5.85	-69.87
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012830093	0	48	0.0	-71.45	360.11	6.92	-64.53
CCC(C)[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C[C@H](OC)C2)CC1	REAL300012830094	0	52	0.0	-70.38	383.47	5.76	-64.62
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC1	REAL300012830095	0	51	0.0	-68.62	388.06	8.15	-60.47
CCC(C)[NH+]1CCC(NC(=O)N2CCCC2(CC)C(=O)[O-])CC1	REAL300012830096	0	54	0.0	-78.29	379.73	9.86	-68.43
CCC(C)[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012830097	0	47	0.0	-64.34	362.80	6.84	-57.50
CCC(C)[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012830098	0	55	0.0	-71.62	400.43	6.22	-65.40
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012830099	0	51	0.0	-69.03	396.24	8.23	-60.80
CCC(C)[NH+]1CCC(NC(=O)NC(COC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012830100	0	58	0.0	-70.20	424.00	8.21	-61.99
CCC(C)[NH+]1CCC(NC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012830101	0	53	0.0	-69.33	365.93	7.13	-62.20
CCC(C)[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012830102	0	49	0.0	-78.89	352.85	9.20	-69.69
CCC(C)[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012830103	0	52	0.0	-79.56	369.12	8.61	-70.95
CCC(C)[NH+]1CCC(NC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300012830104	0	57	0.0	-75.40	414.31	11.85	-63.55
CCC(C)[NH+]1CCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012830105	0	60	0.0	-69.90	427.03	9.42	-60.48
CCC(C)[NH+]1CCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012830106	0	57	0.0	-71.17	428.54	9.94	-61.23
CCC(C)[NH+]1CCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012830107	0	57	0.0	-71.14	428.17	9.92	-61.22
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012830108	0	58	0.0	-72.63	409.49	8.98	-63.65
CCC(C)[NH+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012830109	0	60	0.0	-70.87	427.08	9.36	-61.51
CCC(C)[NH+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012830110	0	60	0.0	-70.89	427.44	9.36	-61.53
CCC(C)[NH+]1CCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012830111	0	58	0.0	-52.14	407.78	10.03	-42.11
CCC(C)[NH+]1CCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012830112	0	58	0.0	-77.53	405.69	9.96	-67.57
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=C(OC)C=C2)C(=O)[O-])CC1	REAL300012830113	0	58	0.0	-71.70	434.55	8.52	-63.18
C=CCSCC(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012830114	0	52	0.0	-66.91	404.60	8.00	-58.91
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC1	REAL300012830115	0	55	0.0	-69.75	425.87	9.60	-60.15
CCC(C)[NH+]1CCC(NC(=O)N(CC)C(CC)C(=O)[O-])CC1	REAL300012830116	0	53	0.0	-68.52	371.96	9.02	-59.50
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2(OC)CCC2)CC1	REAL300012830117	0	55	0.0	-65.76	394.10	5.80	-59.96
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC1	REAL300012830118	0	57	0.0	-71.26	408.33	9.15	-62.11
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC1	REAL300012830119	0	58	0.0	-72.87	418.04	10.31	-62.56
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012830120	0	51	0.0	-76.50	379.99	7.68	-68.82
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300012830122	0	63	0.0	-70.71	458.91	10.61	-60.10
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300012830123	0	60	0.0	-71.05	443.18	10.14	-60.91
CCC(C)[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012830124	0	48	0.0	-75.46	354.64	7.74	-67.72
CCC(C)[NH+]1CCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012830125	0	50	0.0	-55.48	365.40	8.94	-46.54
CCC(C)[NH+]1CCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012830126	0	54	0.0	-77.14	381.75	8.70	-68.44
CCOC1=CC=C(C(NC(=O)NC2CC[NH+](C(C)CC)CC2)C(=O)[O-])C=C1	REAL300012830127	0	58	0.0	-69.23	433.65	8.46	-60.77
CCC(C)[NH+]1CCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012830128	0	58	0.0	-76.94	405.88	10.76	-66.18
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300012830129	0	58	0.0	-71.13	427.22	10.17	-60.96
CCC(C)[NH+]1CCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012830130	0	58	0.0	-75.05	425.45	9.26	-65.79
CCC(C)[NH+]1CCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300012830131	0	54	0.0	-73.54	423.00	9.21	-64.33
CCC(C)[NH+]1CCC(NC(=O)NC(CCC(C)C)C(=O)[O-])CC1	REAL300012830132	0	56	0.0	-69.43	407.19	8.27	-61.16
CCC(C)[NH+]1CCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012830133	0	55	0.0	-55.03	393.43	9.48	-45.55
CCC(C)[NH+]1CCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012830134	0	55	0.0	-71.62	400.43	6.22	-65.40
CCC(C)[NH+]1CCC(NC(=O)N2C[C@H](SC)C[C@H]2C(=O)[O-])CC1	REAL300012830135	0	52	0.0	-73.38	389.28	9.25	-64.13
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012830136	0	55	0.0	-73.43	382.11	8.97	-64.46
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012830137	0	52	0.0	-75.35	369.36	8.07	-67.28
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012830138	0	55	0.0	-73.12	390.99	8.48	-64.64
CCC(C)[NH+]1CCC(NC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012830139	0	57	0.0	-70.02	414.27	11.18	-58.84
CCC(C)[NH+]1CCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC1	REAL300012830140	0	61	0.0	-53.21	425.33	10.55	-42.66
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012830141	0	54	0.0	-71.42	382.97	7.66	-63.76
CCC(C)[NH+]1CCC(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300012830142	0	51	0.0	-71.61	377.12	5.39	-66.22
CCC(C)[NH+]1CCC(NC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012830143	0	51	0.0	-71.21	361.44	7.38	-63.83
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012830144	0	54	0.0	-58.09	403.79	10.97	-47.12
CCC(C)[NH+]1CCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012830145	0	54	0.0	-53.23	385.45	8.84	-44.39
CCC(C)[NH+]1CCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC1	REAL300012830146	0	55	0.0	-58.00	409.89	10.66	-47.34
CCC(C)[NH+]1CCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012830147	0	51	0.0	-75.61	367.71	9.15	-66.46
CCC(C)[NH+]1CCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012830148	0	48	0.0	-80.07	358.33	7.78	-72.29
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300012830149	0	54	0.0	-72.65	411.37	9.28	-63.37
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012830150	0	51	0.0	-69.26	396.02	8.05	-61.21
CCC(C)[NH+]1CCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012830151	0	51	0.0	-67.32	374.71	8.70	-58.62
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC1	REAL300012830152	0	55	0.0	-74.02	410.40	8.88	-65.14
CCC(C)[NH+]1CCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC1	REAL300012830153	0	59	0.0	-72.95	433.39	10.45	-62.50
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012830154	0	51	0.0	-69.26	396.02	8.05	-61.21
CCC(C)[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012830155	0	55	0.0	-77.47	388.24	9.27	-68.20
CCC(C)[NH+]1CCC(NC(=O)NC(CCCOC)C(=O)[O-])CC1	REAL300012830156	0	54	0.0	-69.81	402.04	5.99	-63.82
CCCC(C(=O)[O-])N(C)C(=O)NC1CC[NH+](C(C)CC)CC1	REAL300012830157	0	53	0.0	-68.34	378.79	8.91	-59.43
CCOCC(NC(=O)NC1CC[NH+](C(C)CC)CC1)C(=O)[O-]	REAL300012830158	0	51	0.0	-71.68	380.58	5.36	-66.32
CCC(C)[NH+]1CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012830159	0	56	0.0	-70.32	397.26	8.54	-61.78
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012830160	0	55	0.0	-72.11	401.36	6.76	-65.35
CCC(C)[NH+]1CCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC1	REAL300012830161	0	55	0.0	-72.57	406.11	9.57	-63.00
CCC(C)[NH+]1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012830162	0	52	0.0	-76.70	368.02	7.63	-69.07
CCC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC1	REAL300012830163	0	54	0.0	-69.56	388.07	9.05	-60.51
CCC(C)[NH+]1CCC(NC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012830164	0	48	0.0	-70.55	367.48	6.71	-63.84
CCC(C)[NH+]1CCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC1	REAL300012830165	0	65	0.0	-74.35	443.16	10.30	-64.05
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300012830166	0	57	0.0	-71.36	430.52	9.50	-61.86
CCC(C)[NH+]1CCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012830167	0	51	0.0	-56.97	385.36	9.09	-47.88
CCC(C)[NH+]1CCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC1	REAL300012830168	0	62	0.0	-75.07	418.96	9.57	-65.50
CCC(C)[NH+]1CCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300012830169	0	53	0.0	-66.88	416.98	7.77	-59.11
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC[NH+](C(C)CC)CC2)C1	REAL300012830170	0	55	0.0	-75.82	400.99	8.01	-67.81
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CC[C@H](C3CC3)O2)CC1	REAL300012830605	0	58	0.0	-62.92	438.83	7.16	-55.76
COC1=CC(C#N)=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012830902	0	55	0.0	-64.25	440.42	7.13	-57.12
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3CC32)CC1	REAL300012831118	0	54	0.0	-62.32	405.26	7.75	-54.57
COC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1C	REAL300012831357	0	57	0.0	-64.28	440.76	7.46	-56.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C3=CCOCC3)CC2)CC1	REAL300012833215	0	59	0.0	-63.69	448.94	7.30	-56.39
COCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCCCO1	REAL300012833807	0	61	0.0	-67.60	447.61	6.19	-61.41
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CS(=O)(=O)C1	REAL300012834099	0	53	0.0	-65.23	412.40	2.89	-62.34
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C3COCCC3=C2)CC1	REAL300012834406	0	58	0.0	-64.60	444.89	7.50	-57.10
CC1=CC=CN=C1C(C)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012834714	0	55	0.0	-67.47	422.66	7.05	-60.42
CCC(C)(CC)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012834927	0	58	0.0	-58.51	411.89	7.35	-51.16
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3CC(C(N)=O)CC32)CC1	REAL300012835175	0	58	0.0	-68.99	435.44	3.99	-65.00
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC(F)(F)CO2)CC1	REAL300012835460	0	54	0.0	-68.05	418.29	5.72	-62.33
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCN2C=C3C=CC=CC3=N2)CC1	REAL300012835767	0	56	0.0	-67.48	440.48	7.63	-59.85
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3C=CC2C3)CC1	REAL300012836846	0	55	0.0	-62.54	410.10	7.98	-54.56
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2COC3=CC(F)=CC=C32)CC1	REAL300012837105	0	52	0.0	-58.26	405.03	6.27	-51.99
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC3=CN=CC=C32)CC1	REAL300012837391	0	56	0.0	-62.86	419.40	7.08	-55.78
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3(COC3)O2)CC1	REAL300012837665	0	56	0.0	-62.57	421.93	4.00	-58.57
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2C[C@H]2C2=CC=CO2)CC1	REAL300012837913	0	54	0.0	-64.21	424.68	7.79	-56.42
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CON=C2C2CC2)CC1	REAL300012838321	0	53	0.0	-65.44	419.45	7.02	-58.42
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC(C)(C)C(F)(F)F)CC1	REAL300012838869	0	55	0.0	-58.18	417.74	6.86	-51.32
CC(C)C[C@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012838995	0	50	0.0	-74.40	383.84	5.50	-68.90
C=CCOCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012838996	0	49	0.0	-76.05	392.10	3.96	-72.09
C=CC(C)C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012838997	0	48	0.0	-73.87	377.50	5.32	-68.55
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCOCC1	REAL300012838998	0	52	0.0	-77.69	389.89	4.03	-73.66
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=C(F)C(F)=C1	REAL300012838999	0	48	0.0	-70.62	394.80	6.36	-64.26
COC1CCN(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(C(=O)[O-])C1	REAL300012839000	0	52	0.0	-84.04	386.22	6.18	-77.86
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCOC1	REAL300012839001	0	52	0.0	-73.43	389.85	4.07	-69.36
CC1CCN(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(C(=O)[O-])C1	REAL300012839002	0	51	0.0	-84.13	377.05	7.99	-76.14
CC1=CC(C(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])=CC=C1F	REAL300012839003	0	51	0.0	-72.45	408.25	6.98	-65.47
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=C2OCCC2=C1	REAL300012839004	0	53	0.0	-76.01	418.03	6.09	-69.92
CC1=CC(C)=CC(C(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])=C1	REAL300012839005	0	54	0.0	-77.16	424.72	7.65	-69.51
CC1=CC=C(C(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])C=C1C	REAL300012839006	0	54	0.0	-76.98	419.92	7.49	-69.49
CC1=CC=CC(C(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])=C1C	REAL300012839007	0	54	0.0	-77.03	412.12	7.27	-69.76
CCCN(CC(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839008	0	47	0.0	-65.08	365.39	6.75	-58.33
CC(C(=O)[O-])N(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCC1	REAL300012839009	0	51	0.0	-64.86	378.37	7.15	-57.71
CCCN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(COC)C(=O)[O-]	REAL300012839010	0	54	0.0	-77.91	407.37	7.71	-70.20
CCCN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(CC)C(=O)[O-]	REAL300012839011	0	53	0.0	-76.46	394.17	8.36	-68.10
CC(C)C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839012	0	47	0.0	-74.36	361.09	4.78	-69.58
O=C([O-])C1CCCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839013	0	48	0.0	-84.17	355.98	7.36	-76.81
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=C(Cl)C=C1	REAL300012839014	0	48	0.0	-72.60	398.83	6.76	-65.84
O=C([O-])C1CSCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839015	0	46	0.0	-80.40	355.95	7.20	-73.20
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCCCC1	REAL300012839016	0	51	0.0	-78.24	375.47	6.38	-71.86
O=C([O-])C1CCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839017	0	45	0.0	-80.92	345.60	5.70	-75.22
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCCC1	REAL300012839018	0	48	0.0	-78.22	360.96	5.28	-72.94
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCCCCC1	REAL300012839019	0	54	0.0	-78.65	381.14	7.05	-71.60
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839020	0	51	0.0	-76.18	404.39	7.19	-68.99
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839021	0	51	0.0	-65.62	402.89	9.00	-56.62
O=C([O-])[C@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012839022	0	48	0.0	-76.86	382.14	6.24	-70.62
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012839023	0	48	0.0	-76.60	382.09	6.24	-70.36
CCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839024	0	44	0.0	-74.63	345.97	4.17	-70.46
CC(C)C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839025	0	47	0.0	-74.36	361.09	4.78	-69.58
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839026	0	51	0.0	-76.18	404.39	7.19	-68.99
CCC(C)C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839027	0	50	0.0	-76.16	380.95	5.38	-70.78
O=C([O-])C1CCCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839028	0	48	0.0	-84.17	355.98	7.36	-76.81
CCCC(C)(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839029	0	50	0.0	-74.97	371.60	5.30	-69.67
CC(C)N(CC(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839030	0	47	0.0	-74.41	353.53	6.25	-68.16
O=C([O-])CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012839031	0	45	0.0	-65.84	347.10	6.53	-59.31
C=CCN(CC(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839032	0	45	0.0	-64.88	356.71	6.56	-58.32
CC(C)CN(CC(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839033	0	50	0.0	-64.53	379.81	7.05	-57.48
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839034	0	52	0.0	-83.11	393.74	9.22	-73.89
CC(C)(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839035	0	44	0.0	-64.26	336.71	3.55	-60.71
CC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)(C(=O)[O-])C1CC1	REAL300012839036	0	48	0.0	-75.52	359.54	5.30	-70.22
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CS1	REAL300012839037	0	45	0.0	-74.69	373.75	5.33	-69.36
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCCCC1	REAL300012839038	0	51	0.0	-78.24	375.47	6.38	-71.86
CC(C)N(CC(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839039	0	47	0.0	-74.41	353.53	6.25	-68.16
CCCN(CC(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839040	0	47	0.0	-65.08	365.39	6.75	-58.33
CCN(CC(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839041	0	44	0.0	-74.24	343.90	5.99	-68.25
CC[C@H](C)[C@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839042	0	50	0.0	-75.63	377.20	5.14	-70.49
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCCC1	REAL300012839043	0	48	0.0	-78.22	360.96	5.28	-72.94
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839044	0	51	0.0	-62.91	409.30	9.07	-53.84
CCC(C)(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839045	0	47	0.0	-74.66	350.10	4.55	-70.11
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC2=CC=CC=C2C1	REAL300012839046	0	52	0.0	-78.04	400.08	7.42	-70.62
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC(F)=CC=C1F	REAL300012839047	0	48	0.0	-75.94	392.16	6.42	-69.52
CC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012839048	0	51	0.0	-76.74	389.92	7.03	-69.71
CCN(CC(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839049	0	44	0.0	-74.24	343.90	5.99	-68.25
CCCCCCC(C)(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839050	0	59	0.0	-75.11	436.10	7.63	-67.48
CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012839051	0	54	0.0	-73.35	413.47	9.23	-64.12
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300012839052	0	42	0.0	-79.49	330.28	4.35	-75.14
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=C(Cl)C=C1	REAL300012839053	0	48	0.0	-72.60	398.83	6.76	-65.84
O=C([O-])C1COCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839054	0	46	0.0	-80.22	347.30	4.67	-75.55
CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1(C(=O)[O-])CCCCC1	REAL300012839055	0	54	0.0	-79.57	384.74	7.70	-71.87
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012839056	0	45	0.0	-76.35	352.34	4.67	-71.68
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839057	0	54	0.0	-66.67	425.30	9.78	-56.89
CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012839058	0	51	0.0	-74.10	389.07	7.83	-66.27
COCCN(CC(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839059	0	48	0.0	-66.03	375.27	5.18	-60.85
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCC2=CC=CC=C21	REAL300012839060	0	52	0.0	-81.09	396.81	7.30	-73.79
O=C([O-])[C@H]1CCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839061	0	45	0.0	-81.97	346.93	5.68	-76.29
O=C([O-])[C@H]1CCCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839062	0	48	0.0	-82.99	355.85	7.06	-75.93
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839063	0	44	0.0	-70.38	336.48	5.14	-65.24
O=C([O-])[C@@H]1CCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839064	0	45	0.0	-80.89	345.63	5.69	-75.20
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCC1	REAL300012839065	0	45	0.0	-79.12	347.20	4.87	-74.25
C=CCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839066	0	45	0.0	-74.23	359.28	4.62	-69.61
CC1(C(=O)[O-])CCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839067	0	48	0.0	-80.19	361.80	6.62	-73.57
O=C([O-])C1CCCCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839068	0	51	0.0	-82.81	368.95	7.73	-75.08
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012839069	0	45	0.0	-76.35	352.34	4.67	-71.68
CC(C(=O)[O-])N(C)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839070	0	44	0.0	-70.92	335.92	5.19	-65.73
CCCCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839071	0	50	0.0	-73.95	388.13	5.75	-68.20
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839072	0	54	0.0	-66.67	425.30	9.78	-56.89
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839073	0	48	0.0	-80.69	361.80	6.61	-74.08
O=C([O-])CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCC1	REAL300012839074	0	51	0.0	-65.23	380.22	7.56	-57.67
COCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839075	0	45	0.0	-75.98	357.34	2.41	-73.57
CCCCCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839076	0	53	0.0	-74.48	410.46	6.50	-67.98
CCC1CCC(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])CC1	REAL300012839077	0	57	0.0	-78.02	414.55	7.63	-70.39
O=C([O-])CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCOCC1	REAL300012839078	0	52	0.0	-65.42	388.67	5.89	-59.53
CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1(C(=O)[O-])CCCC1	REAL300012839079	0	51	0.0	-80.55	371.42	6.98	-73.57
CC(C(=O)[O-])N(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012839080	0	48	0.0	-64.74	362.58	6.73	-58.01
CCC(C(=O)[O-])N(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012839081	0	51	0.0	-73.45	377.81	7.62	-65.83
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1Cl	REAL300012839082	0	48	0.0	-77.85	394.09	6.67	-71.18
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1F	REAL300012839083	0	48	0.0	-81.62	386.53	6.33	-75.29
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839084	0	52	0.0	-67.79	397.12	8.68	-59.11
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839085	0	57	0.0	-75.29	426.35	7.38	-67.91
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839086	0	54	0.0	-64.35	414.86	9.58	-54.77
CC1=CC=C(C(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])C=C1	REAL300012839087	0	51	0.0	-76.15	402.91	6.96	-69.19
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839088	0	44	0.0	-69.21	361.90	4.86	-64.35
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCSCC1	REAL300012839089	0	49	0.0	-74.08	373.17	6.07	-68.01
COCC(C)(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839090	0	48	0.0	-78.76	368.35	3.83	-74.93
CCOCC(C(=O)[O-])N(C)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839091	0	51	0.0	-72.47	387.55	5.56	-66.91
CC(C)CN(CC(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839092	0	50	0.0	-64.53	379.81	7.05	-57.48
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839093	0	57	0.0	-63.54	430.96	10.34	-53.20
O=C([O-])CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300012839094	0	45	0.0	-65.84	347.10	6.53	-59.31
O=C([O-])CN(CCC(F)(F)F)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839095	0	47	0.0	-64.06	383.53	7.13	-56.93
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCOC1	REAL300012839096	0	46	0.0	-74.15	351.61	2.68	-71.47
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCCC1	REAL300012839097	0	54	0.0	-76.15	399.03	6.46	-69.69
CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(COC1CCC1)C(=O)[O-]	REAL300012839098	0	55	0.0	-73.23	414.70	6.97	-66.26
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839099	0	55	0.0	-82.97	420.01	10.34	-72.63
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCOCC1	REAL300012839100	0	49	0.0	-77.03	366.90	3.89	-73.14
C=CCCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839101	0	48	0.0	-74.14	380.28	5.50	-68.64
O=C([O-])C(CF)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839102	0	41	0.0	-63.56	327.75	3.17	-60.39
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839103	0	54	0.0	-62.95	412.15	9.97	-52.98
CC(C(=O)[O-])N(C)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839104	0	44	0.0	-70.92	335.92	5.19	-65.73
CCC(CC)(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839105	0	50	0.0	-75.62	366.77	5.43	-70.19
COC1=CC=C(C(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])C=C1	REAL300012839106	0	52	0.0	-75.94	411.59	5.53	-70.41
CCC(C)N(CC(=O)[O-])C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839107	0	50	0.0	-64.61	374.62	7.33	-57.28
CCC(COC)(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839108	0	51	0.0	-79.83	385.02	4.73	-75.10
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839109	0	54	0.0	-72.55	407.82	6.33	-66.22
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCS(=O)(=O)CC1	REAL300012839110	0	51	0.0	-78.64	392.02	2.37	-76.27
O=C([O-])C(CC1CC1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839111	0	48	0.0	-74.85	377.57	5.72	-69.13
COCCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839112	0	48	0.0	-74.47	379.64	3.23	-71.24
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839113	0	53	0.0	-72.11	396.14	7.62	-64.49
O=C([O-])C(CC(F)F)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839114	0	44	0.0	-73.26	358.31	4.46	-68.80
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839115	0	54	0.0	-82.83	396.56	8.60	-74.23
CCCN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(C)C(=O)[O-]	REAL300012839116	0	50	0.0	-62.85	376.37	7.55	-55.30
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839117	0	54	0.0	-78.32	413.77	9.86	-68.46
CCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012839118	0	54	0.0	-77.84	406.90	7.92	-69.92
COC1CCCC(C(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])C1	REAL300012839119	0	58	0.0	-80.52	432.16	5.38	-75.14
O=C([O-])C(CCF)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839120	0	44	0.0	-72.90	352.56	4.31	-68.59
COC1(CC(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])CCC1	REAL300012839121	0	55	0.0	-76.54	417.46	5.26	-71.28
O=C([O-])CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCOCC1	REAL300012839122	0	52	0.0	-65.42	388.67	5.89	-59.53
O=C([O-])CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCCC1	REAL300012839123	0	54	0.0	-65.66	397.63	8.26	-57.40
C[C@H]1CC[C@@](NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])CC1	REAL300012839124	0	54	0.0	-78.70	389.28	6.76	-71.94
COC1=CC=CC(C(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])=C1	REAL300012839125	0	52	0.0	-78.60	411.60	5.53	-73.07
CC(CCF)(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839126	0	47	0.0	-71.52	356.69	4.68	-66.84
O=C([O-])C1C2=C(CCN1C(=O)NC1CCN(C3=CC=[NH+]C=C3)CC1)OC=C2	REAL300012839127	0	49	0.0	-69.39	378.95	6.73	-62.66
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839128	0	45	0.0	-74.76	359.91	5.84	-68.92
COC1=CC=CC([C@H](NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])=C1	REAL300012839129	0	52	0.0	-78.61	411.60	5.53	-73.08
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839130	0	44	0.0	-70.60	336.06	5.25	-65.35
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300012839131	0	54	0.0	-81.49	410.83	7.98	-73.51
COC1=CC=CC(CC(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])=C1	REAL300012839132	0	55	0.0	-76.03	433.85	6.48	-69.55
CC1(C)CCCC(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])C1	REAL300012839133	0	57	0.0	-79.41	403.39	7.26	-72.15
O=C([O-])C12CC(C1)CN2C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839134	0	46	0.0	-85.04	352.03	6.71	-78.33
COC1CN(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(C)(C(=O)[O-])C1	REAL300012839135	0	52	0.0	-80.52	395.12	5.58	-74.94
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839136	0	55	0.0	-74.31	417.11	5.07	-69.24
CC(C)(C)[C@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839137	0	50	0.0	-75.82	376.76	5.28	-70.54
C=C(Cl)CC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839138	0	45	0.0	-74.61	375.23	5.22	-69.39
C=C(C)CC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839139	0	48	0.0	-74.60	379.81	5.36	-69.24
O=C([O-])C12CCC(CC1)N2C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839140	0	49	0.0	-86.77	366.51	7.53	-79.24
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839141	0	45	0.0	-74.47	359.94	5.83	-68.64
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839142	0	45	0.0	-78.17	352.10	5.76	-72.41
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300012839143	0	46	0.0	-80.58	358.95	6.14	-74.44
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839144	0	55	0.0	-75.73	417.42	4.99	-70.74
CC(C)C[C@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839145	0	50	0.0	-74.40	383.84	5.50	-68.90
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCOCC1	REAL300012839146	0	52	0.0	-77.69	389.89	4.03	-73.66
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012839147	0	48	0.0	-76.60	382.09	6.24	-70.36
O=C([O-])C(CC1CC1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839148	0	48	0.0	-74.85	377.57	5.72	-69.13
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839149	0	47	0.0	-73.16	390.10	4.38	-68.78
CC(C)CCCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839150	0	56	0.0	-73.86	427.20	7.05	-66.81
O=C([O-])C(CC1CCCO1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839151	0	52	0.0	-79.36	402.16	4.57	-74.79
CSCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839152	0	45	0.0	-72.52	369.44	4.59	-67.93
COC[C@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839153	0	45	0.0	-75.98	357.34	2.41	-73.57
CC[C@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839154	0	44	0.0	-74.63	345.97	4.17	-70.46
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839155	0	51	0.0	-73.64	410.56	7.32	-66.32
CCC(C)CC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839156	0	53	0.0	-74.70	402.12	6.20	-68.50
C=CCCCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839157	0	51	0.0	-74.17	401.77	6.28	-67.89
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839158	0	51	0.0	-73.15	409.91	7.28	-65.87
O=C([O-])C1CSCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839159	0	46	0.0	-80.40	355.95	7.20	-73.20
CC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012839160	0	51	0.0	-76.74	389.92	7.03	-69.71
O=C([O-])[C@H]1CCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839161	0	45	0.0	-81.97	346.93	5.68	-76.29
CCCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839162	0	47	0.0	-74.08	366.63	4.96	-69.12
CC(C)[C@@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839163	0	47	0.0	-75.41	363.00	4.75	-70.66
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839164	0	49	0.0	-85.82	366.63	7.66	-78.16
CCN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012839165	0	50	0.0	-77.82	370.69	6.96	-70.86
CCCN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(C)C(=O)[O-]	REAL300012839166	0	50	0.0	-62.85	376.37	7.55	-55.30
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839167	0	44	0.0	-69.75	358.51	6.49	-63.26
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839168	0	44	0.0	-69.75	358.51	6.49	-63.26
CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(C)(C)C(=O)[O-]	REAL300012839169	0	47	0.0	-77.56	351.20	6.06	-71.50
O=C([O-])[C@@H]1CCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839170	0	45	0.0	-80.89	345.63	5.69	-75.20
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839171	0	57	0.0	-66.17	432.23	4.47	-61.70
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839172	0	46	0.0	-82.53	356.73	2.39	-80.14
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839173	0	52	0.0	-65.56	398.08	9.17	-56.39
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)[C@H]1C(=O)[O-]	REAL300012839174	0	55	0.0	-69.01	408.72	9.23	-59.78
CCC[C@@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839175	0	47	0.0	-74.58	367.22	4.99	-69.59
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839176	0	53	0.0	-74.50	401.88	7.38	-67.12
O=C([O-])[C@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012839177	0	48	0.0	-76.86	382.14	6.24	-70.62
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839178	0	53	0.0	-76.28	422.25	6.19	-70.09
C=CCCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839179	0	48	0.0	-74.14	380.28	5.50	-68.64
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839180	0	47	0.0	-77.16	390.67	4.25	-72.91
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839181	0	48	0.0	-87.63	375.30	3.63	-84.00
CN1CC(C(=O)[O-])N(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC1=O	REAL300012839182	0	49	0.0	-75.24	372.98	5.33	-69.91
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839183	0	48	0.0	-80.43	361.78	6.63	-73.80
CC(C)[C@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839184	0	47	0.0	-73.98	357.09	4.49	-69.49
O=C([O-])[C@@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC=C1	REAL300012839185	0	48	0.0	-76.05	381.49	6.28	-69.77
CC(CN1C=CC=N1)(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839186	0	51	0.0	-76.29	395.93	5.60	-70.69
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839187	0	44	0.0	-70.60	336.06	5.25	-65.35
CCC[C@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839188	0	47	0.0	-74.56	367.46	4.94	-69.62
CCN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(C)C(=O)[O-]	REAL300012839189	0	47	0.0	-75.85	356.88	6.70	-69.15
O=C([O-])CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCC1	REAL300012839190	0	51	0.0	-65.23	380.22	7.56	-57.67
CC(CN(C)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839191	0	47	0.0	-76.00	357.44	5.92	-70.08
CC[C@H](C)[C@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839192	0	50	0.0	-75.63	377.20	5.14	-70.49
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839193	0	47	0.0	-71.08	356.35	6.33	-64.75
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC(CO)C1	REAL300012839194	0	49	0.0	-79.58	379.35	2.16	-77.42
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839195	0	57	0.0	-77.58	429.96	5.45	-72.13
CC1CCC(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])C1	REAL300012839196	0	51	0.0	-78.64	382.04	5.90	-72.74
CC1(C)CCCC1(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839197	0	54	0.0	-79.03	391.50	6.64	-72.39
COCCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839198	0	48	0.0	-74.47	379.64	3.23	-71.24
CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012839199	0	54	0.0	-73.35	413.47	9.23	-64.12
CC1(C)CC(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])C1	REAL300012839200	0	51	0.0	-79.62	383.29	6.57	-73.05
CC1(C(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])CC1	REAL300012839201	0	48	0.0	-76.62	367.42	5.52	-71.10
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839202	0	57	0.0	-77.62	430.01	5.40	-72.22
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839203	0	46	0.0	-86.85	355.38	2.58	-84.27
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCOC1	REAL300012839204	0	49	0.0	-71.72	376.06	3.21	-68.51
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839205	0	49	0.0	-84.03	366.85	7.18	-76.85
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CNC2=CC=CC=C21	REAL300012839206	0	52	0.0	-83.68	414.26	6.31	-77.37
O=C([O-])C12COC(CN1C(=O)NC1CCN(C3=CC=[NH+]C=C3)CC1)C2	REAL300012839207	0	47	0.0	-80.75	359.33	4.90	-75.85
CC1CCC(C(=O)[O-])N(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300012839208	0	51	0.0	-83.44	376.97	7.96	-75.48
CC(C1=CC=CC=C1)C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839209	0	54	0.0	-74.98	419.48	7.54	-67.44
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839210	0	55	0.0	-74.41	414.18	7.98	-66.43
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCC1	REAL300012839211	0	48	0.0	-76.05	366.10	5.05	-71.00
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCCC1	REAL300012839212	0	54	0.0	-76.15	399.03	6.46	-69.69
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCC1	REAL300012839213	0	48	0.0	-76.05	366.10	5.05	-71.00
CC1CCN(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1C(=O)[O-]	REAL300012839214	0	48	0.0	-81.37	360.89	6.25	-75.12
C=CCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839215	0	45	0.0	-74.23	359.28	4.62	-69.61
O=C([O-])C(CC1CCCCO1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839216	0	55	0.0	-75.22	418.20	5.91	-69.31
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839217	0	55	0.0	-64.01	391.76	7.90	-56.11
CC1(C)CC(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])CCO1	REAL300012839218	0	55	0.0	-78.07	396.01	5.17	-72.90
CC1=CC=CC2=C1CCN(C(=O)NC1CCN(C3=CC=[NH+]C=C3)CC1)C2C(=O)[O-]	REAL300012839219	0	55	0.0	-69.64	415.14	9.12	-60.52
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839220	0	49	0.0	-66.12	367.41	7.10	-59.02
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839221	0	55	0.0	-74.41	414.18	7.98	-66.43
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839222	0	51	0.0	-77.08	410.81	7.26	-69.82
COC1CC(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])C1	REAL300012839223	0	49	0.0	-75.24	378.69	3.74	-71.50
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC(F)(F)C1	REAL300012839224	0	45	0.0	-76.53	355.51	4.91	-71.62
CO[C@H]1C[C@](NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)(C(=O)[O-])C1	REAL300012839225	0	49	0.0	-77.45	379.36	4.11	-73.34
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1(C(F)(F)F)CC1	REAL300012839226	0	48	0.0	-76.68	386.08	5.94	-70.74
CCC1(C(=O)[O-])CCCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839227	0	51	0.0	-82.59	375.11	7.87	-74.72
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839228	0	44	0.0	-69.21	361.90	4.86	-64.35
O=C([O-])C(CC1CCOC1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839229	0	52	0.0	-76.15	399.53	4.26	-71.89
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)COC1	REAL300012839230	0	43	0.0	-73.05	337.91	1.91	-71.14
O=C([O-])C(CC1=CC=CS1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839231	0	48	0.0	-75.03	395.43	6.27	-68.76
COCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012839232	0	55	0.0	-76.59	423.10	6.24	-70.35
CC(C)C(C)(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839233	0	50	0.0	-75.62	366.84	5.23	-70.39
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839234	0	46	0.0	-83.40	351.12	7.19	-76.21
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839235	0	49	0.0	-82.49	368.30	6.86	-75.63
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839236	0	54	0.0	-78.32	413.77	9.86	-68.46
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839237	0	57	0.0	-75.29	426.35	7.38	-67.91
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839238	0	54	0.0	-74.92	426.53	7.98	-66.94
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839239	0	54	0.0	-75.77	427.37	7.96	-67.81
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC2CCC1C2	REAL300012839240	0	55	0.0	-77.75	408.25	6.82	-70.93
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839241	0	57	0.0	-75.24	426.08	7.45	-67.79
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839242	0	57	0.0	-75.31	426.29	7.37	-67.94
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839243	0	55	0.0	-64.41	406.60	8.04	-56.37
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839244	0	55	0.0	-83.39	405.92	7.85	-75.54
COC1=CC=C(CC(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])C=C1	REAL300012839245	0	55	0.0	-76.75	433.89	6.49	-70.26
C=CCSCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839246	0	49	0.0	-72.59	403.71	6.04	-66.55
N#CC1=CC=C(CC(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])C=C1	REAL300012839247	0	52	0.0	-74.04	424.97	7.65	-66.39
CCC(C(=O)[O-])N(CC)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839248	0	50	0.0	-76.89	371.97	7.62	-69.27
COC1(C(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])CCC1	REAL300012839249	0	52	0.0	-72.36	392.90	3.81	-68.55
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCC(C(F)F)CC1	REAL300012839250	0	54	0.0	-76.16	407.09	7.18	-68.98
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCC2=CC=CC=C2C1	REAL300012839251	0	55	0.0	-79.18	413.41	8.28	-70.90
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC(C(F)F)C1	REAL300012839252	0	48	0.0	-79.91	379.33	5.67	-74.24
CC(C)C1=CC=C(C(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])C=C1	REAL300012839254	0	57	0.0	-76.18	442.13	8.26	-67.92
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839255	0	45	0.0	-78.17	352.10	5.76	-72.41
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839256	0	47	0.0	-64.99	360.80	6.92	-58.07
CC1(C)CCN(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1C(=O)[O-]	REAL300012839257	0	51	0.0	-82.44	380.86	6.73	-75.71
CCOC1=CC=C(C(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C(=O)[O-])C=C1	REAL300012839258	0	55	0.0	-75.77	433.45	6.46	-69.31
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839259	0	55	0.0	-82.59	401.33	8.75	-73.84
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCC2=CC=CC=C21	REAL300012839260	0	55	0.0	-75.41	422.58	8.13	-67.28
CC(COC1=CC=CC=C1)(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839261	0	55	0.0	-80.30	424.56	7.29	-73.01
CC(C)CCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839262	0	53	0.0	-74.11	405.70	6.26	-67.85
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839263	0	52	0.0	-64.63	391.59	7.57	-57.06
O=C([O-])C(CC1CCOC1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839264	0	52	0.0	-76.15	399.53	4.26	-71.89
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300012839265	0	49	0.0	-78.39	388.88	7.04	-71.35
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCCC2CC21	REAL300012839266	0	52	0.0	-80.25	381.33	7.02	-73.23
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCC2CC21	REAL300012839267	0	49	0.0	-80.04	368.45	6.11	-73.93
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC2(CCC2)C1	REAL300012839268	0	52	0.0	-78.10	389.71	6.49	-71.61
CN(C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012839269	0	54	0.0	-73.36	413.47	9.23	-64.13
O=C([O-])C1CC2(CN1C(=O)NC1CCN(C3=CC=[NH+]C=C3)CC1)CCCCC2	REAL300012839270	0	58	0.0	-64.56	420.65	8.55	-56.01
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCC1	REAL300012839271	0	51	0.0	-75.41	382.13	5.76	-69.65
CO[C@H](C)[C@H](NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839272	0	48	0.0	-75.64	375.48	3.42	-72.22
CC1[C@@H](C)[C@@]1(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839273	0	48	0.0	-77.79	360.12	5.41	-72.38
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839274	0	51	0.0	-65.62	402.89	9.00	-56.62
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300012839275	0	51	0.0	-64.66	384.54	6.88	-57.78
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839276	0	48	0.0	-79.75	367.15	7.19	-72.56
O=C([O-])C1N(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCC1(F)F	REAL300012839277	0	45	0.0	-83.03	357.39	5.83	-77.20
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839278	0	51	0.0	-77.08	410.81	7.26	-69.82
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839279	0	48	0.0	-74.91	395.23	6.11	-68.80
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839280	0	48	0.0	-72.82	373.91	6.74	-66.08
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC2(CC(F)(F)C2)C1	REAL300012839281	0	52	0.0	-78.60	409.15	6.89	-71.71
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839282	0	48	0.0	-74.91	395.23	6.11	-68.80
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839283	0	52	0.0	-82.91	384.19	7.22	-75.69
COCCCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839284	0	51	0.0	-74.18	401.13	4.01	-70.17
CCCC(C(=O)[O-])N(C)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839285	0	50	0.0	-70.82	378.93	7.09	-63.73
CCOCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839286	0	48	0.0	-76.74	379.68	3.40	-73.34
CC(C)(C)CC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839287	0	53	0.0	-75.46	396.80	6.57	-68.89
O=C([O-])C(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C1CCCCO1	REAL300012839288	0	52	0.0	-77.50	396.72	4.73	-72.77
O=C([O-])C1(NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CC2=CC=CC=C2C1	REAL300012839289	0	52	0.0	-78.04	400.08	7.42	-70.62
C[C@H]1OCCN(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)[C@@H]1C(=O)[O-]	REAL300012839290	0	49	0.0	-82.06	367.32	5.67	-76.39
N#CCCC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300012839291	0	45	0.0	-74.91	366.82	4.67	-70.24
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839292	0	48	0.0	-66.79	384.56	7.14	-59.65
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300012839293	0	44	0.0	-70.38	336.48	5.14	-65.24
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300012839294	0	52	0.0	-81.24	400.58	5.75	-75.49
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CN=CC=N2)CC1	REAL300012839661	0	48	0.0	-64.09	380.88	3.72	-60.37
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC(C(F)F)=NO2)CC1	REAL300012839901	0	49	0.0	-61.94	401.25	5.82	-56.12
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2C[C@@H]2C2=CC=CC=C2)CC1	REAL300012840667	0	54	0.0	-60.96	412.41	8.42	-52.54
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC3=C2CCC3)CC1	REAL300012840944	0	57	0.0	-63.98	435.41	9.23	-54.75
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=NOC=C1	REAL300012841291	0	49	0.0	-67.98	385.79	5.60	-62.38
CC(C)C[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012841973	0	61	0.0	-69.06	429.40	6.07	-62.99
C=CCOCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012841974	0	60	0.0	-71.38	437.78	4.78	-66.60
C=CC(C)C(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012841975	0	59	0.0	-76.33	415.97	5.90	-70.43
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012841976	0	63	0.0	-71.43	441.19	5.03	-66.40
COC1CCN(C(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C(C(=O)[O-])C1	REAL300012841977	0	63	0.0	-84.66	431.28	6.86	-77.80
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300012841978	0	63	0.0	-73.82	435.06	4.88	-68.94
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300012841979	0	62	0.0	-83.97	414.59	8.14	-75.83
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012841980	0	58	0.0	-53.20	410.60	7.54	-45.66
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C(C)C(=O)[O-])C2CCC2)CC1	REAL300012841981	0	62	0.0	-52.43	423.66	7.82	-44.61
CCCN(C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(COC)C(=O)[O-]	REAL300012841982	0	65	0.0	-80.33	452.96	8.32	-72.01
CCCN(C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(CC)C(=O)[O-]	REAL300012841983	0	64	0.0	-59.33	440.45	9.56	-49.77
CC(C)C(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012841984	0	58	0.0	-75.09	406.29	5.59	-69.50
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012841985	0	59	0.0	-85.40	401.13	8.12	-77.28
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012841986	0	57	0.0	-81.47	400.77	7.88	-73.59
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012841987	0	62	0.0	-81.47	420.70	7.19	-74.28
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012841988	0	56	0.0	-77.77	389.92	6.87	-70.90
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012841989	0	59	0.0	-75.73	405.64	6.06	-69.67
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300012841990	0	65	0.0	-82.83	426.32	7.86	-74.97
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012841991	0	62	0.0	-79.10	449.60	8.00	-71.10
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012841992	0	62	0.0	-53.53	448.09	9.79	-43.74
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NCC(=O)[O-])CC1	REAL300012841993	0	49	0.0	-60.96	348.55	3.13	-57.83
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012841994	0	59	0.0	-76.70	427.35	7.05	-69.65
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012841995	0	59	0.0	-72.48	427.32	7.06	-65.42
CCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012841996	0	55	0.0	-75.45	391.17	4.99	-70.46
CC(C)C(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012841997	0	58	0.0	-75.09	406.29	5.59	-69.50
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C)CC(=O)[O-])CC1	REAL300012841998	0	52	0.0	-74.74	367.28	5.80	-68.94
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300012841999	0	62	0.0	-79.10	449.60	8.00	-71.10
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C)C(=O)[O-])CC1	REAL300012842000	0	52	0.0	-60.48	369.17	3.99	-56.49
CCC(C)C(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842001	0	61	0.0	-77.01	426.15	6.20	-70.81
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C)CC(=O)[O-])CC1	REAL300012842002	0	52	0.0	-74.74	367.28	5.80	-68.94
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300012842003	0	59	0.0	-85.40	401.13	8.12	-77.28
CCCC(C)(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842004	0	61	0.0	-76.60	416.80	6.11	-70.49
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842005	0	58	0.0	-53.81	399.63	7.09	-46.72
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012842006	0	56	0.0	-47.04	396.26	7.36	-39.68
C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842007	0	56	0.0	-53.05	401.91	7.34	-45.71
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842008	0	61	0.0	-52.53	425.02	7.84	-44.69
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012842009	0	55	0.0	-59.77	381.91	4.36	-55.41
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300012842010	0	59	0.0	-78.22	404.80	6.10	-72.12
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300012842011	0	56	0.0	-74.36	418.72	6.22	-68.14
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300012842012	0	62	0.0	-81.47	420.70	7.19	-74.28
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842013	0	58	0.0	-53.81	399.63	7.09	-46.72
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842014	0	58	0.0	-53.20	410.60	7.54	-45.66
CCN(CC(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842015	0	55	0.0	-75.84	389.11	6.78	-69.06
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842016	0	61	0.0	-70.68	421.68	5.99	-64.69
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300012842017	0	59	0.0	-75.73	405.64	6.06	-69.67
CCC(C)(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842018	0	58	0.0	-76.22	395.31	5.35	-70.87
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012842019	0	62	0.0	-76.98	434.98	7.76	-69.22
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300012842020	0	52	0.0	-61.70	369.00	3.88	-57.82
CCN(CC(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842021	0	55	0.0	-75.84	389.11	6.78	-69.06
CCCCCCC(C)(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842022	0	70	0.0	-76.89	481.30	8.45	-68.44
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N[C@H](C)C(=O)[O-])CC1	REAL300012842023	0	52	0.0	-59.61	369.48	3.81	-55.80
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012842024	0	53	0.0	-81.40	375.50	5.19	-76.21
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCOCC2C(=O)[O-])CC1	REAL300012842025	0	57	0.0	-81.78	392.42	5.49	-76.29
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)CC1	REAL300012842026	0	65	0.0	-83.74	429.91	8.50	-75.24
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012842027	0	56	0.0	-70.87	400.92	5.52	-65.35
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012842028	0	62	0.0	-67.25	434.23	8.42	-58.83
COCCN(CC(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842029	0	59	0.0	-53.96	420.47	5.97	-47.99
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012842030	0	56	0.0	-83.68	390.68	6.58	-77.10
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300012842031	0	59	0.0	-83.13	404.54	7.99	-75.14
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012842032	0	55	0.0	-70.00	382.19	6.04	-63.96
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012842033	0	56	0.0	-76.59	393.86	7.12	-69.47
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012842034	0	56	0.0	-76.76	392.29	5.69	-71.07
C=CCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842035	0	56	0.0	-69.20	403.65	5.44	-63.76
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300012842036	0	59	0.0	-77.47	407.08	7.44	-70.03
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300012842037	0	62	0.0	-82.05	413.80	8.42	-73.63
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012842038	0	56	0.0	-70.87	400.92	5.52	-65.35
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012842039	0	55	0.0	-70.08	382.20	6.04	-64.04
CCCCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842040	0	61	0.0	-75.30	433.92	6.59	-68.71
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300012842041	0	59	0.0	-77.51	407.08	7.43	-70.08
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012842042	0	62	0.0	-62.12	425.25	8.26	-53.86
COCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842043	0	56	0.0	-71.32	403.03	3.23	-68.09
CCCCCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842044	0	64	0.0	-75.64	455.66	7.32	-68.32
CCC1CCC(NC(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)(C(=O)[O-])CC1	REAL300012842045	0	68	0.0	-80.99	463.69	8.68	-72.31
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012842046	0	63	0.0	-62.76	433.69	6.59	-56.17
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCC2)CC1	REAL300012842047	0	62	0.0	-83.18	416.55	7.67	-75.51
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300012842048	0	59	0.0	-50.97	411.00	7.38	-43.59
CCC(C(=O)[O-])N(C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C1CC1	REAL300012842049	0	62	0.0	-62.10	431.87	8.80	-53.30
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300012842050	0	59	0.0	-82.13	431.74	7.13	-75.00
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012842051	0	68	0.0	-70.57	471.26	8.25	-62.32
CC1=CC=C(C(NC(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300012842052	0	62	0.0	-72.63	448.74	7.74	-64.89
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012842053	0	55	0.0	-64.44	406.27	5.70	-58.74
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300012842054	0	60	0.0	-71.35	418.36	6.89	-64.46
COCC(C)(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842055	0	59	0.0	-80.36	413.55	4.63	-75.73
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842056	0	62	0.0	-66.36	432.41	6.23	-60.13
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842057	0	61	0.0	-52.53	425.02	7.84	-44.69
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012842058	0	56	0.0	-47.04	396.26	7.36	-39.68
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300012842059	0	58	0.0	-52.37	428.73	7.93	-44.44
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300012842060	0	57	0.0	-73.89	396.64	3.38	-70.51
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012842061	0	65	0.0	-77.59	444.23	7.27	-70.32
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])CC1	REAL300012842062	0	66	0.0	-67.08	459.56	7.62	-59.46
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300012842063	0	60	0.0	-79.94	412.09	4.69	-75.25
C=CCCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842064	0	59	0.0	-75.19	425.24	6.37	-68.82
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012842065	0	52	0.0	-58.81	372.79	4.00	-54.81
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012842066	0	55	0.0	-70.08	382.20	6.04	-64.04
CCC(CC)(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842067	0	61	0.0	-72.28	411.98	6.25	-66.03
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842068	0	61	0.0	-52.34	419.82	8.11	-44.23
CCC(COC)(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842069	0	62	0.0	-82.38	429.99	5.56	-76.82
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842070	0	65	0.0	-66.41	453.11	7.13	-59.28
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012842071	0	59	0.0	-75.79	423.05	6.48	-69.31
COCCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842072	0	59	0.0	-75.40	424.60	4.11	-71.29
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842073	0	64	0.0	-71.22	440.00	8.35	-62.87
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300012842074	0	55	0.0	-69.77	401.54	5.57	-64.20
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842075	0	65	0.0	-85.51	442.22	9.09	-76.42
CCCN(C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(C)C(=O)[O-]	REAL300012842076	0	61	0.0	-60.03	421.87	7.57	-52.46
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012842077	0	55	0.0	-73.60	397.51	5.19	-68.41
COC1(CC(NC(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C(=O)[O-])CCC1	REAL300012842078	0	66	0.0	-75.46	461.19	6.14	-69.32
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300012842079	0	63	0.0	-62.76	433.69	6.59	-56.17
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)CC1	REAL300012842080	0	65	0.0	-62.59	442.63	8.97	-53.62
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300012842081	0	65	0.0	-75.54	434.49	7.57	-67.97
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300012842082	0	58	0.0	-72.89	401.89	5.49	-67.40
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300012842083	0	60	0.0	-56.79	424.65	7.54	-49.25
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1	REAL300012842084	0	56	0.0	-74.49	407.63	6.97	-67.52
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012842085	0	55	0.0	-65.70	382.19	6.04	-59.66
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300012842086	0	68	0.0	-83.83	448.61	8.09	-75.74
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300012842087	0	57	0.0	-83.14	395.03	7.46	-75.68
COC1CN(C(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C(C)(C(=O)[O-])C1	REAL300012842088	0	63	0.0	-72.38	439.67	6.37	-66.01
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300012842089	0	66	0.0	-69.76	458.09	6.57	-63.19
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300012842090	0	61	0.0	-70.22	420.34	6.10	-64.12
C=C(Cl)CC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842091	0	56	0.0	-71.11	420.43	6.03	-65.08
C=C(C)CC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842092	0	59	0.0	-70.25	425.01	6.17	-64.08
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300012842093	0	60	0.0	-87.00	409.38	8.20	-78.80
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300012842094	0	56	0.0	-70.88	402.90	7.05	-63.83
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012842095	0	56	0.0	-78.99	400.21	7.11	-71.88
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C1	REAL300012842096	0	57	0.0	-78.13	404.10	6.97	-71.16
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300012842097	0	66	0.0	-70.17	458.42	6.47	-63.70
CC(C)C[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842098	0	61	0.0	-69.06	429.40	6.07	-62.99
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300012842099	0	63	0.0	-71.43	441.19	5.03	-66.40
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012842100	0	59	0.0	-72.48	427.32	7.06	-65.42
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300012842101	0	59	0.0	-75.79	423.05	6.48	-69.31
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC1	REAL300012842102	0	58	0.0	-68.79	435.30	5.18	-63.61
CC(C)CCCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842103	0	67	0.0	-75.49	472.99	7.89	-67.60
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300012842104	0	63	0.0	-72.02	446.94	5.32	-66.70
CSCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842105	0	56	0.0	-68.27	414.64	5.40	-62.87
COC[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842106	0	56	0.0	-75.67	402.37	3.10	-72.57
CC[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842107	0	55	0.0	-69.90	390.93	5.05	-64.85
CCC(C)CC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842108	0	64	0.0	-75.74	447.56	6.81	-68.93
C=CCCCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842109	0	62	0.0	-75.42	446.74	7.15	-68.27
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])CC1	REAL300012842110	0	57	0.0	-81.47	400.77	7.88	-73.59
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012842111	0	62	0.0	-76.98	434.98	7.76	-69.22
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012842112	0	56	0.0	-83.68	390.68	6.58	-77.10
CCCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842113	0	58	0.0	-75.59	412.67	5.76	-69.83
CC(C)[C@@H](NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842114	0	58	0.0	-68.02	408.03	5.45	-62.57
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC1	REAL300012842115	0	60	0.0	-85.51	415.63	8.63	-76.88
CCN(C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(C)(C)C(=O)[O-]	REAL300012842116	0	61	0.0	-80.34	415.57	7.61	-72.73
CCCN(C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(C)C(=O)[O-]	REAL300012842117	0	61	0.0	-60.03	421.87	7.57	-52.46
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012842118	0	55	0.0	-69.48	403.71	7.30	-62.18
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1	REAL300012842119	0	55	0.0	-69.48	403.71	7.30	-62.18
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012842120	0	58	0.0	-79.76	396.26	6.77	-72.99
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012842121	0	56	0.0	-76.59	393.86	7.12	-69.47
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1	REAL300012842122	0	57	0.0	-84.96	405.88	3.44	-81.52
CCC[C@@H](NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842123	0	58	0.0	-75.60	412.67	5.74	-69.86
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012842124	0	59	0.0	-76.70	427.35	7.05	-69.65
C=CCCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842125	0	59	0.0	-75.19	425.24	6.37	-68.82
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC1	REAL300012842126	0	58	0.0	-79.82	435.87	5.06	-74.76
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])CC1	REAL300012842127	0	60	0.0	-73.01	417.65	6.06	-66.95
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300012842128	0	59	0.0	-74.76	410.36	7.43	-67.33
CC(C)[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842129	0	58	0.0	-73.51	405.17	5.41	-68.10
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC1	REAL300012842130	0	59	0.0	-72.13	427.08	7.14	-64.99
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC1	REAL300012842131	0	62	0.0	-71.45	440.79	6.33	-65.12
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012842132	0	55	0.0	-65.70	382.19	6.04	-59.66
CCC[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842133	0	58	0.0	-74.49	412.49	5.63	-68.86
CCN(C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(C)C(=O)[O-]	REAL300012842134	0	58	0.0	-71.40	398.37	6.71	-64.69
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300012842135	0	62	0.0	-62.12	425.25	8.26	-53.86
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300012842136	0	58	0.0	-72.89	402.39	6.47	-66.42
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842137	0	61	0.0	-70.68	421.68	5.99	-64.69
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842138	0	58	0.0	-66.12	402.14	7.00	-59.12
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1	REAL300012842139	0	60	0.0	-81.06	424.54	2.98	-78.08
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC(C)C2)CC1	REAL300012842140	0	62	0.0	-81.09	427.22	6.71	-74.38
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC1	REAL300012842141	0	65	0.0	-76.06	436.69	7.45	-68.61
COCCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842142	0	59	0.0	-75.40	424.60	4.11	-71.29
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC1	REAL300012842143	0	62	0.0	-82.51	428.72	7.42	-75.09
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300012842144	0	59	0.0	-70.92	419.86	6.10	-64.82
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC1	REAL300012842145	0	57	0.0	-80.44	404.41	3.50	-76.94
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOC2)CC1	REAL300012842146	0	60	0.0	-74.61	418.39	3.92	-70.69
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC1	REAL300012842147	0	60	0.0	-81.80	415.74	8.25	-73.55
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])CO3)CC1	REAL300012842148	0	58	0.0	-81.85	403.90	5.73	-76.12
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CC(C)CCC2C(=O)[O-])CC1	REAL300012842149	0	62	0.0	-84.97	422.05	8.73	-76.24
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012842150	0	66	0.0	-71.10	463.88	8.12	-62.98
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012842151	0	59	0.0	-76.27	416.03	6.03	-70.24
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)CC1	REAL300012842152	0	65	0.0	-77.59	444.23	7.27	-70.32
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)CC1	REAL300012842153	0	59	0.0	-76.27	416.03	6.03	-70.24
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(C)C2C(=O)[O-])CC1	REAL300012842154	0	59	0.0	-84.31	406.09	7.04	-77.27
C=CCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842155	0	56	0.0	-69.20	403.65	5.44	-63.76
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2CCCCO2)C(=O)[O-])CC1	REAL300012842156	0	66	0.0	-74.29	465.38	6.17	-68.12
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1	REAL300012842157	0	66	0.0	-56.12	440.23	8.90	-47.22
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC1	REAL300012842158	0	66	0.0	-80.68	440.29	5.67	-75.01
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC1	REAL300012842159	0	60	0.0	-60.67	413.79	7.94	-52.73
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC1	REAL300012842160	0	66	0.0	-71.10	463.88	8.12	-62.98
COC1CC(NC(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)(C(=O)[O-])C1	REAL300012842161	0	60	0.0	-83.84	425.66	4.66	-79.18
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC1	REAL300012842162	0	56	0.0	-78.13	404.66	5.95	-72.18
CO[C@H]1C[C@](NC(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)(C(=O)[O-])C1	REAL300012842163	0	60	0.0	-73.47	428.68	5.16	-68.31
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842164	0	62	0.0	-83.98	422.54	8.54	-75.44
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300012842165	0	55	0.0	-64.44	406.27	5.70	-58.74
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012842166	0	63	0.0	-78.52	444.97	5.00	-73.52
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012842167	0	54	0.0	-72.93	387.08	2.97	-69.96
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC1	REAL300012842168	0	59	0.0	-70.99	440.64	7.07	-63.92
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C(C)C)CC1	REAL300012842169	0	61	0.0	-71.72	410.22	5.98	-65.74
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012842170	0	57	0.0	-84.39	397.04	8.13	-76.26
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012842171	0	60	0.0	-77.17	416.57	7.67	-69.50
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300012842172	0	68	0.0	-70.57	471.26	8.25	-62.32
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC1	REAL300012842173	0	66	0.0	-78.98	453.87	7.81	-71.17
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012842174	0	68	0.0	-76.85	471.13	8.28	-68.57
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1	REAL300012842175	0	68	0.0	-70.57	471.26	8.25	-62.32
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC1	REAL300012842176	0	66	0.0	-60.17	452.80	8.86	-51.31
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC1	REAL300012842177	0	66	0.0	-86.26	452.69	8.81	-77.45
C=CCSCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842178	0	60	0.0	-67.61	448.24	6.88	-60.73
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842179	0	61	0.0	-72.46	415.38	7.67	-64.79
COC1(C(NC(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C(=O)[O-])CCC1	REAL300012842180	0	63	0.0	-71.34	437.57	4.49	-66.85
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC1	REAL300012842181	0	59	0.0	-75.28	422.68	6.42	-68.86
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300012842183	0	56	0.0	-78.99	400.21	7.11	-71.88
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC1	REAL300012842184	0	58	0.0	-49.93	405.47	7.65	-42.28
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(C)(C)C2C(=O)[O-])CC1	REAL300012842185	0	62	0.0	-77.02	425.89	7.43	-69.59
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC1	REAL300012842186	0	66	0.0	-84.50	446.12	9.39	-75.11
CC(C)CCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842187	0	64	0.0	-75.65	451.49	7.11	-68.54
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC1	REAL300012842188	0	63	0.0	-60.50	437.76	8.41	-52.09
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])CC1	REAL300012842189	0	63	0.0	-78.52	444.97	5.00	-73.52
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C1	REAL300012842190	0	60	0.0	-76.04	438.13	8.08	-67.96
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC3CC32)CC1	REAL300012842191	0	63	0.0	-77.30	426.50	7.85	-69.45
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3CC32)CC1	REAL300012842192	0	60	0.0	-76.74	413.66	6.93	-69.81
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300012842193	0	63	0.0	-74.58	438.77	7.56	-67.02
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCC2)CC1	REAL300012842194	0	62	0.0	-77.65	434.60	6.69	-70.96
CO[C@H](C)[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842195	0	59	0.0	-70.68	420.68	4.22	-66.46
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N[C@]2(C(=O)[O-])C(C)[C@H]2C)CC1	REAL300012842196	0	59	0.0	-77.26	417.52	6.72	-70.54
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300012842197	0	62	0.0	-53.53	448.09	9.79	-43.74
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CC(C)(C)CC2C(=O)[O-])CC1	REAL300012842198	0	62	0.0	-63.65	431.63	7.38	-56.27
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC1	REAL300012842199	0	59	0.0	-79.28	411.71	7.88	-71.40
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(F)(F)C2C(=O)[O-])CC1	REAL300012842200	0	56	0.0	-84.78	401.43	6.92	-77.86
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012842201	0	59	0.0	-70.72	440.16	6.97	-63.75
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC1	REAL300012842202	0	59	0.0	-70.26	419.05	7.57	-62.69
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC1	REAL300012842203	0	59	0.0	-70.72	440.16	6.97	-63.75
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300012842204	0	63	0.0	-79.90	432.40	8.49	-71.41
COCCCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842205	0	62	0.0	-74.11	446.10	4.88	-69.23
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1	REAL300012842206	0	61	0.0	-71.09	423.64	7.78	-63.31
CCOCC(NC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012842207	0	59	0.0	-71.26	424.39	4.19	-67.07
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1	REAL300012842208	0	64	0.0	-76.46	441.39	7.15	-69.31
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCO2)CC1	REAL300012842209	0	63	0.0	-72.95	442.41	5.54	-67.41
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])CC1	REAL300012842210	0	60	0.0	-80.93	412.06	6.11	-74.82
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300012842211	0	56	0.0	-75.88	411.79	5.55	-70.33
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC1	REAL300012842212	0	59	0.0	-63.40	429.58	7.83	-55.57
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012842213	0	55	0.0	-70.00	382.19	6.04	-63.96
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)N2CC[NH+](C(C)C)CC2)C1	REAL300012842214	0	63	0.0	-74.47	449.31	6.95	-67.52
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC2CC2=CC=CC=C2)CC1	REAL300012842877	0	60	0.0	-59.27	457.91	10.10	-49.17
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2OCC3=CC=CC=C32)CC1	REAL300012843168	0	55	0.0	-67.55	426.70	6.81	-60.74
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@H]2C2=CC=CC=C2)CC1	REAL300012843422	0	54	0.0	-64.50	418.78	8.82	-55.68
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C2=CCOCC2)CC1	REAL300012843700	0	61	0.0	-58.97	441.73	6.81	-52.16
CC(C)C[C@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843826	0	50	0.0	-67.99	370.94	5.26	-62.73
CC(C)C[C@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843826	1	50	0.0	-74.66	377.18	5.24	-69.42
C=CCOCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843827	0	49	0.0	-70.41	378.90	3.71	-66.70
C=CCOCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843827	1	49	0.0	-73.76	385.00	3.74	-70.02
C=CC(C)C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843828	0	48	0.0	-66.97	363.82	5.07	-61.90
C=CC(C)C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843828	1	48	0.0	-72.00	363.32	4.81	-67.19
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCOCC1	REAL300012843829	0	52	0.0	-78.20	383.34	3.62	-74.58
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCOCC1	REAL300012843829	1	52	0.0	-73.65	385.63	3.90	-69.75
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=C(F)C(F)=C1	REAL300012843830	0	48	0.0	-63.41	380.53	6.13	-57.28
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=C(F)C(F)=C1	REAL300012843830	1	48	0.0	-67.29	385.60	6.06	-61.23
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=C(Cl)C(F)=C1	REAL300012843831	0	48	0.0	-63.27	390.42	6.58	-56.69
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=C(Cl)C(F)=C1	REAL300012843831	1	48	0.0	-67.60	395.73	6.43	-61.17
COC1CCN(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(C(=O)[O-])C1	REAL300012843832	0	52	0.0	-74.13	374.43	5.83	-68.30
COC1CCN(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(C(=O)[O-])C1	REAL300012843832	1	52	0.0	-83.15	381.26	6.01	-77.14
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCCOC1	REAL300012843833	0	52	0.0	-67.72	382.22	4.01	-63.71
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCCOC1	REAL300012843833	1	52	0.0	-74.10	386.92	3.86	-70.24
CC1CCN(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(C(=O)[O-])C1	REAL300012843834	0	51	0.0	-73.59	355.90	7.22	-66.37
CC1CCN(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(C(=O)[O-])C1	REAL300012843834	1	51	0.0	-81.01	368.93	7.43	-73.58
CC1=CC(C(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])=CC=C1F	REAL300012843835	0	51	0.0	-66.10	395.17	6.69	-59.41
CC1=CC(C(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])=CC=C1F	REAL300012843835	1	51	0.0	-69.73	399.59	6.63	-63.10
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=C2OCCC2=C1	REAL300012843836	0	53	0.0	-68.98	404.14	5.91	-63.07
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=C2OCCC2=C1	REAL300012843836	1	53	0.0	-75.21	410.59	5.83	-69.38
CC1=CC(C(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])=CC(C)=C1	REAL300012843837	0	54	0.0	-69.40	410.64	7.34	-62.06
CC1=CC(C(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])=CC(C)=C1	REAL300012843837	1	54	0.0	-73.90	415.72	7.26	-66.64
CC1=CC=C(C(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1C	REAL300012843838	0	54	0.0	-69.76	406.62	7.27	-62.49
CC1=CC=C(C(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1C	REAL300012843838	1	54	0.0	-74.53	413.08	7.17	-67.36
CC1=CC=CC(C(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])=C1C	REAL300012843839	0	54	0.0	-69.63	401.23	7.10	-62.53
CC1=CC=CC(C(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])=C1C	REAL300012843839	1	54	0.0	-73.92	407.43	7.08	-66.84
COC1=CC=C(C(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1F	REAL300012843840	0	52	0.0	-67.33	403.92	5.44	-61.89
COC1=CC=C(C(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1F	REAL300012843840	1	52	0.0	-71.34	408.86	5.23	-66.11
CCCN(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843841	0	47	0.0	-58.99	351.71	6.47	-52.52
CCCN(CC(=O)[O-])C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843841	1	47	0.0	-63.50	356.39	6.35	-57.15
CC(C(=O)[O-])N(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCC1	REAL300012843842	0	51	0.0	-53.53	366.64	7.48	-46.05
CC(C(=O)[O-])N(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCC1	REAL300012843842	1	51	0.0	-60.57	370.70	6.80	-53.77
CCCN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(COC)C(=O)[O-]	REAL300012843843	0	54	0.0	-68.01	394.31	7.34	-60.67
CCCN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(COC)C(=O)[O-]	REAL300012843843	1	54	0.0	-70.71	394.20	5.93	-64.78
CCCN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(CC)C(=O)[O-]	REAL300012843844	0	53	0.0	-54.86	376.04	8.14	-46.72
CCCN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(CC)C(=O)[O-]	REAL300012843844	1	53	0.0	-68.95	381.97	7.21	-61.74
CC(C)C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843845	0	47	0.0	-67.36	343.73	4.32	-63.04
CC(C)C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843845	1	47	0.0	-72.96	351.14	4.32	-68.64
O=C([O-])C1CCCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843846	0	48	0.0	-73.51	342.01	6.85	-66.66
O=C([O-])C1CCCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843846	1	48	0.0	-74.47	341.01	6.88	-67.59
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=C(Cl)C=C1	REAL300012843847	0	48	0.0	-65.35	384.96	6.59	-58.76
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=C(Cl)C=C1	REAL300012843847	1	48	0.0	-71.92	389.82	6.37	-65.55
O=C([O-])C1CSCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843848	0	46	0.0	-71.55	342.20	6.95	-64.60
O=C([O-])C1CSCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843848	1	46	0.0	-77.87	348.15	6.78	-71.09
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCCCC1	REAL300012843849	0	51	0.0	-78.21	368.33	6.06	-72.15
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCCCC1	REAL300012843849	1	51	0.0	-74.86	368.07	6.11	-68.75
O=C([O-])C1CCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843850	0	45	0.0	-72.91	331.76	5.51	-67.40
O=C([O-])C1CCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843850	1	45	0.0	-80.16	337.31	5.80	-74.36
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCCC1	REAL300012843851	0	48	0.0	-70.31	348.19	5.04	-65.27
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCCC1	REAL300012843851	1	48	0.0	-78.30	353.03	4.96	-73.34
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCCCCC1	REAL300012843852	0	54	0.0	-70.68	367.42	6.80	-63.88
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCCCCC1	REAL300012843852	1	54	0.0	-77.73	377.87	6.60	-71.13
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843853	0	51	0.0	-69.30	390.66	6.93	-62.37
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843853	1	51	0.0	-75.90	396.89	6.91	-68.99
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843854	0	51	0.0	-58.70	389.16	8.72	-49.98
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843854	1	51	0.0	-63.70	393.88	8.59	-55.11
O=C([O-])[C@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=CC=C1	REAL300012843855	0	48	0.0	-76.02	375.04	5.91	-70.11
O=C([O-])[C@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=CC=C1	REAL300012843855	1	48	0.0	-73.19	374.42	6.05	-67.14
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=CC=C1	REAL300012843856	0	48	0.0	-69.28	368.47	5.99	-63.29
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=CC=C1	REAL300012843856	1	48	0.0	-75.09	372.48	5.88	-69.21
CC(C)C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843857	0	47	0.0	-67.36	343.73	4.32	-63.04
CC(C)C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843857	1	47	0.0	-72.96	351.14	4.32	-68.64
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843858	0	51	0.0	-69.30	390.66	6.93	-62.37
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843858	1	51	0.0	-75.90	396.89	6.91	-68.99
CCC(C)C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843859	0	50	0.0	-70.44	371.06	4.98	-65.46
CCC(C)C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843859	1	50	0.0	-71.23	370.07	5.01	-66.22
O=C([O-])C1CCCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843860	0	48	0.0	-73.51	342.01	6.85	-66.66
O=C([O-])C1CCCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843860	1	48	0.0	-74.47	341.01	6.88	-67.59
CCCC(C)(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843861	0	50	0.0	-66.63	357.92	5.05	-61.58
CCCC(C)(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843861	1	50	0.0	-71.22	362.60	4.91	-66.31
CC(C)N(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843862	0	47	0.0	-59.07	342.12	6.12	-52.95
CC(C)N(CC(=O)[O-])C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843862	1	47	0.0	-64.26	345.01	5.86	-58.40
O=C([O-])CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CC1	REAL300012843863	0	45	0.0	-74.68	341.68	6.04	-68.64
O=C([O-])CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CC1	REAL300012843863	1	45	0.0	-71.79	341.55	6.08	-65.71
C=CCN(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843864	0	45	0.0	-58.75	343.03	6.28	-52.47
C=CCN(CC(=O)[O-])C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843864	1	45	0.0	-63.31	347.70	6.15	-57.16
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843865	0	50	0.0	-58.41	366.10	6.78	-51.63
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843865	1	50	0.0	-57.35	365.96	6.52	-50.83
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843866	0	52	0.0	-73.61	379.82	8.96	-64.65
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843866	1	52	0.0	-82.34	387.15	9.25	-73.09
CC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)(C(=O)[O-])C1CC1	REAL300012843867	0	48	0.0	-75.87	352.49	4.96	-70.91
CC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)(C(=O)[O-])C1CC1	REAL300012843867	1	48	0.0	-74.91	352.09	5.02	-69.89
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=CS1	REAL300012843868	0	45	0.0	-67.00	359.45	5.10	-61.90
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=CS1	REAL300012843868	1	45	0.0	-73.43	365.68	5.08	-68.35
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCCCC1	REAL300012843869	0	51	0.0	-78.21	368.33	6.06	-72.15
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCCCC1	REAL300012843869	1	51	0.0	-74.86	368.07	6.11	-68.75
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843870	0	51	0.0	-56.40	405.90	9.24	-47.16
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843870	1	51	0.0	-61.12	410.62	9.11	-52.01
CC(C)N(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843871	0	47	0.0	-59.07	342.12	6.12	-52.95
CC(C)N(CC(=O)[O-])C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843871	1	47	0.0	-64.26	345.01	5.86	-58.40
CCCN(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843872	0	47	0.0	-58.99	351.71	6.47	-52.52
CCCN(CC(=O)[O-])C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843872	1	47	0.0	-63.50	356.39	6.35	-57.15
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843873	0	55	0.0	-74.07	425.51	6.95	-67.12
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843873	1	55	0.0	-77.10	424.41	6.87	-70.23
CC[C@H](C)[C@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843874	0	50	0.0	-68.45	363.53	4.88	-63.57
CC[C@H](C)[C@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843874	1	50	0.0	-74.62	369.03	4.90	-69.72
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCCC1	REAL300012843875	0	48	0.0	-70.31	348.19	5.04	-65.27
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCCC1	REAL300012843875	1	48	0.0	-78.30	353.03	4.96	-73.34
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843876	0	51	0.0	-56.62	395.57	8.79	-47.83
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843876	1	51	0.0	-61.32	400.29	8.66	-52.66
CCC(C)(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843877	0	47	0.0	-66.38	336.42	4.29	-62.09
CCC(C)(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843877	1	47	0.0	-73.66	341.10	4.16	-69.50
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC2=CC=CC=C2C1	REAL300012843878	0	52	0.0	-70.35	387.74	7.29	-63.06
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC2=CC=CC=C2C1	REAL300012843878	1	52	0.0	-70.42	386.57	7.03	-63.39
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC(F)=CC=C1F	REAL300012843879	0	48	0.0	-68.63	379.02	6.20	-62.43
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC(F)=CC=C1F	REAL300012843879	1	48	0.0	-75.96	385.48	6.12	-69.84
CC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012843880	0	51	0.0	-76.24	382.82	6.67	-69.57
CC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012843880	1	51	0.0	-73.40	380.92	6.63	-66.77
CCCCCCC(C)(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843881	0	59	0.0	-66.90	422.42	7.38	-59.52
CCCCCCC(C)(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843881	1	59	0.0	-71.41	427.09	7.25	-64.16
CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012843882	0	54	0.0	-73.47	406.36	8.87	-64.60
CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012843882	1	54	0.0	-70.65	403.96	8.72	-61.93
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=C(Cl)C=C1	REAL300012843883	0	48	0.0	-65.35	384.96	6.59	-58.76
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=C(Cl)C=C1	REAL300012843883	1	48	0.0	-71.92	389.82	6.37	-65.55
O=C([O-])C1COCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843884	0	46	0.0	-70.65	333.11	4.38	-66.27
O=C([O-])C1COCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843884	1	46	0.0	-77.62	339.45	4.36	-73.26
CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1(C(=O)[O-])CCCCC1	REAL300012843885	0	54	0.0	-71.33	371.02	7.44	-63.89
CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1(C(=O)[O-])CCCCC1	REAL300012843885	1	54	0.0	-79.72	377.34	7.40	-72.32
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CC1	REAL300012843886	0	45	0.0	-66.87	339.21	4.40	-62.47
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CC1	REAL300012843886	1	45	0.0	-74.80	346.69	4.32	-70.48
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843887	0	54	0.0	-59.99	411.62	9.51	-50.48
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843887	1	54	0.0	-64.51	417.85	9.49	-55.02
CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012843888	0	51	0.0	-67.17	376.39	7.62	-59.55
CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012843888	1	51	0.0	-79.11	381.69	7.82	-71.29
COCCN(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843889	0	48	0.0	-60.01	361.59	4.90	-55.11
COCCN(CC(=O)[O-])C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843889	1	48	0.0	-64.22	366.26	4.77	-59.45
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCC2=CC=CC=C21	REAL300012843890	0	52	0.0	-71.93	383.27	7.10	-64.83
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCC2=CC=CC=C21	REAL300012843890	1	52	0.0	-77.79	389.38	7.08	-70.71
O=C([O-])[C@H]1CCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843891	0	45	0.0	-80.91	338.45	5.42	-75.49
O=C([O-])[C@H]1CCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843891	1	45	0.0	-77.74	336.34	5.39	-72.35
O=C([O-])[C@H]1CCCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843892	0	48	0.0	-73.45	342.37	6.85	-66.60
O=C([O-])[C@H]1CCCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843892	1	48	0.0	-81.52	348.57	6.99	-74.53
O=C([O-])[C@@H]1CCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843893	0	45	0.0	-72.16	331.23	5.81	-66.35
O=C([O-])[C@@H]1CCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843893	1	45	0.0	-80.07	335.63	5.70	-74.37
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCC1	REAL300012843894	0	45	0.0	-70.35	333.24	4.63	-65.72
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCC1	REAL300012843894	1	45	0.0	-70.82	332.06	4.42	-66.40
C=CCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843895	0	45	0.0	-67.12	345.32	4.43	-62.69
C=CCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843895	1	45	0.0	-73.51	351.59	4.41	-69.10
CC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843896	0	48	0.0	-72.06	348.20	6.37	-65.69
CC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843896	1	48	0.0	-80.09	354.35	6.36	-73.73
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843897	0	55	0.0	-82.30	430.94	6.85	-75.45
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843897	1	55	0.0	-79.31	430.60	6.92	-72.39
O=C([O-])C1CCCCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843898	0	51	0.0	-73.36	353.40	7.38	-65.98
O=C([O-])C1CCCCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843898	1	51	0.0	-79.95	364.86	7.79	-72.16
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CC1	REAL300012843899	0	45	0.0	-66.87	339.21	4.40	-62.47
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CC1	REAL300012843899	1	45	0.0	-74.80	346.69	4.32	-70.48
CCCCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843900	0	50	0.0	-74.10	381.61	5.43	-68.67
CCCCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843900	1	50	0.0	-74.08	379.96	5.32	-68.76
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843901	0	54	0.0	-59.99	411.62	9.51	-50.48
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843901	1	54	0.0	-64.51	417.85	9.49	-55.02
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843902	0	48	0.0	-76.77	353.22	6.19	-70.58
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843902	1	48	0.0	-80.11	354.87	6.33	-73.78
O=C([O-])CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCCC1	REAL300012843903	0	51	0.0	-58.20	373.14	7.21	-50.99
O=C([O-])CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCCC1	REAL300012843903	1	51	0.0	-62.94	372.79	7.28	-55.66
COCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843904	0	45	0.0	-69.62	344.15	2.16	-67.46
COCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843904	1	45	0.0	-75.50	348.33	2.01	-73.49
CCCCCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843905	0	53	0.0	-74.02	403.11	6.21	-67.81
CCCCCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843905	1	53	0.0	-73.50	400.62	6.12	-67.38
CCC1CCC(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)(C(=O)[O-])CC1	REAL300012843906	0	57	0.0	-78.04	407.39	7.31	-70.73
CCC1CCC(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)(C(=O)[O-])CC1	REAL300012843906	1	57	0.0	-74.77	407.16	7.34	-67.43
O=C([O-])CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCOCC1	REAL300012843907	0	52	0.0	-57.96	375.04	5.62	-52.34
O=C([O-])CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCOCC1	REAL300012843907	1	52	0.0	-63.28	381.27	5.61	-57.67
CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1(C(=O)[O-])CCCC1	REAL300012843908	0	51	0.0	-73.17	359.23	6.94	-66.23
CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1(C(=O)[O-])CCCC1	REAL300012843908	1	51	0.0	-80.63	364.16	6.72	-73.91
CC(C(=O)[O-])N(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CC1	REAL300012843909	0	48	0.0	-63.36	355.23	6.31	-57.05
CC(C(=O)[O-])N(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CC1	REAL300012843909	1	48	0.0	-69.56	347.62	5.96	-63.60
CCC(C(=O)[O-])N(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CC1	REAL300012843910	0	51	0.0	-66.12	364.96	7.56	-58.56
CCC(C(=O)[O-])N(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CC1	REAL300012843910	1	51	0.0	-59.83	375.43	7.37	-52.46
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=CC=C1Cl	REAL300012843911	0	48	0.0	-69.90	379.18	6.46	-63.44
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=CC=C1Cl	REAL300012843911	1	48	0.0	-77.05	385.02	6.27	-70.78
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=CC=C1F	REAL300012843912	0	48	0.0	-74.23	372.85	6.08	-68.15
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=CC=C1F	REAL300012843912	1	48	0.0	-80.06	376.71	5.94	-74.12
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843913	0	52	0.0	-61.59	383.22	8.41	-53.18
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843913	1	52	0.0	-64.17	390.05	8.28	-55.89
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843914	0	51	0.0	-71.58	405.94	7.31	-64.27
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843914	1	51	0.0	-76.26	410.59	7.14	-69.12
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843915	0	57	0.0	-68.47	412.62	7.12	-61.35
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843915	1	57	0.0	-72.25	417.34	6.98	-65.27
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843916	0	54	0.0	-57.79	397.00	8.80	-48.99
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843916	1	54	0.0	-62.31	406.07	9.22	-53.09
CC1=CC=C(C(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1	REAL300012843917	0	51	0.0	-68.61	389.23	6.69	-61.92
CC1=CC=C(C(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1	REAL300012843917	1	51	0.0	-75.19	393.90	6.56	-68.63
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843918	0	44	0.0	-68.69	354.79	4.51	-64.18
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843918	1	44	0.0	-67.79	352.06	4.50	-63.29
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC2=CC=CC=C2C=C1	REAL300012843919	0	54	0.0	-70.68	414.44	8.26	-62.42
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC2=CC=CC=C2C=C1	REAL300012843919	1	54	0.0	-74.76	418.85	8.19	-66.57
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCSCC1	REAL300012843920	0	49	0.0	-66.14	359.39	5.82	-60.32
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCSCC1	REAL300012843920	1	49	0.0	-71.08	365.76	5.79	-65.29
COCC(C)(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843921	0	48	0.0	-70.62	354.67	3.58	-67.04
COCC(C)(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843921	1	48	0.0	-75.21	359.34	3.43	-71.78
CCOCC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843922	0	51	0.0	-66.34	374.67	5.21	-61.13
CCOCC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843922	1	51	0.0	-69.64	379.34	5.09	-64.55
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843923	0	50	0.0	-58.41	366.10	6.78	-51.63
CC(C)CN(CC(=O)[O-])C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843923	1	50	0.0	-57.35	365.96	6.52	-50.83
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843924	0	57	0.0	-56.98	416.76	9.74	-47.24
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843924	1	57	0.0	-60.29	420.50	9.28	-51.01
O=C([O-])CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CC1	REAL300012843925	0	45	0.0	-74.68	341.68	6.04	-68.64
O=C([O-])CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CC1	REAL300012843925	1	45	0.0	-71.79	341.55	6.08	-65.71
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843926	0	47	0.0	-58.66	369.85	6.85	-51.81
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843926	1	47	0.0	-63.24	374.52	6.73	-56.51
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCOC1	REAL300012843927	0	46	0.0	-66.20	336.16	2.32	-63.88
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCOC1	REAL300012843927	1	46	0.0	-73.54	344.30	2.41	-71.13
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCCCC1	REAL300012843928	0	54	0.0	-68.97	390.95	6.37	-62.60
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCCCC1	REAL300012843928	1	54	0.0	-73.01	391.58	6.18	-66.83
CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(COC1CCC1)C(=O)[O-]	REAL300012843929	0	55	0.0	-72.51	409.01	6.63	-65.88
CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(COC1CCC1)C(=O)[O-]	REAL300012843929	1	55	0.0	-69.91	406.50	6.49	-63.42
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843930	0	55	0.0	-73.71	406.46	10.07	-63.64
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843930	1	55	0.0	-73.46	406.38	9.72	-63.74
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCOCC1	REAL300012843931	0	49	0.0	-69.10	353.21	3.63	-65.47
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCOCC1	REAL300012843931	1	49	0.0	-74.05	359.50	3.62	-70.43
C=CCCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843932	0	48	0.0	-74.25	373.17	5.14	-69.11
C=CCCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843932	1	48	0.0	-73.20	370.44	5.12	-68.08
O=C([O-])C(CF)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843933	0	41	0.0	-62.56	320.96	2.79	-59.77
O=C([O-])C(CF)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843933	1	41	0.0	-62.09	318.75	2.77	-59.32
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843934	0	54	0.0	-53.90	400.77	9.77	-44.13
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843934	1	54	0.0	-54.22	406.14	9.82	-44.40
CCC(CC)(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843935	0	50	0.0	-67.49	352.81	5.18	-62.31
CCC(CC)(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843935	1	50	0.0	-75.01	359.33	5.16	-69.85
COC1=CC=C(C(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1	REAL300012843936	0	52	0.0	-68.56	397.72	5.37	-63.19
COC1=CC=C(C(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1	REAL300012843936	1	52	0.0	-74.78	401.98	5.18	-69.60
CCC(C)N(CC(=O)[O-])C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843937	0	50	0.0	-58.31	360.94	7.05	-51.26
CCC(C)N(CC(=O)[O-])C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843937	1	50	0.0	-58.66	367.17	7.04	-51.62
CCC(COC)(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843938	0	51	0.0	-71.60	371.35	4.48	-67.12
CCC(COC)(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843938	1	51	0.0	-79.35	376.01	4.35	-75.00
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843939	0	54	0.0	-72.25	402.12	5.99	-66.26
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843939	1	54	0.0	-72.10	401.79	6.05	-66.05
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCS(=O)(=O)CC1	REAL300012843940	0	51	0.0	-71.44	376.55	2.04	-69.40
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCS(=O)(=O)CC1	REAL300012843940	1	51	0.0	-78.84	384.58	2.12	-76.72
O=C([O-])C(CC1CC1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843941	0	48	0.0	-67.80	364.42	5.34	-62.46
O=C([O-])C(CC1CC1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843941	1	48	0.0	-74.08	368.57	5.33	-68.75
COCCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843942	0	48	0.0	-74.38	372.29	2.94	-71.44
COCCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843942	1	48	0.0	-74.30	370.63	2.84	-71.46
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843943	0	53	0.0	-70.83	388.19	7.31	-63.52
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843943	1	53	0.0	-71.49	385.24	7.11	-64.38
O=C([O-])C(CC(F)F)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843944	0	44	0.0	-73.36	350.97	4.17	-69.19
O=C([O-])C(CC(F)F)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843944	1	44	0.0	-69.10	346.74	4.31	-64.79
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843945	0	54	0.0	-72.81	385.50	8.29	-64.52
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843945	1	54	0.0	-79.49	387.56	8.20	-71.29
CCCN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(C)C(=O)[O-]	REAL300012843946	0	50	0.0	-54.24	362.58	7.35	-46.89
CCCN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(C)C(=O)[O-]	REAL300012843946	1	50	0.0	-59.32	367.62	7.16	-52.16
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843947	0	54	0.0	-54.70	399.21	9.51	-45.19
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843947	1	54	0.0	-53.89	402.78	9.66	-44.23
CCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012843948	0	54	0.0	-69.36	393.22	7.66	-61.70
CCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012843948	1	54	0.0	-74.13	397.89	7.53	-66.60
COC1CCCC(C(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])C1	REAL300012843949	0	58	0.0	-70.54	421.99	5.16	-65.38
COC1CCCC(C(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])C1	REAL300012843949	1	58	0.0	-73.38	424.09	5.41	-67.97
O=C([O-])C(CCF)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843950	0	44	0.0	-73.18	345.45	3.96	-69.22
O=C([O-])C(CCF)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843950	1	44	0.0	-72.86	343.55	3.92	-68.94
COC1(CC(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])CCC1	REAL300012843951	0	55	0.0	-68.78	401.67	5.37	-63.41
COC1(CC(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])CCC1	REAL300012843951	1	55	0.0	-76.01	410.03	5.03	-70.98
O=C([O-])CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCOCC1	REAL300012843952	0	52	0.0	-57.96	375.04	5.62	-52.34
O=C([O-])CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCOCC1	REAL300012843952	1	52	0.0	-63.28	381.27	5.61	-57.67
O=C([O-])CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCCCC1	REAL300012843953	0	54	0.0	-58.70	384.04	8.00	-50.70
O=C([O-])CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCCCC1	REAL300012843953	1	54	0.0	-63.32	390.18	7.98	-55.34
C[C@H]1CC[C@@](NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)(C(=O)[O-])CC1	REAL300012843954	0	54	0.0	-78.51	380.90	6.32	-72.19
C[C@H]1CC[C@@](NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)(C(=O)[O-])CC1	REAL300012843954	1	54	0.0	-70.37	374.44	6.35	-64.02
COC1=CC=CC(C(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])=C1	REAL300012843955	0	52	0.0	-70.98	397.73	5.36	-65.62
COC1=CC=CC(C(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])=C1	REAL300012843955	1	52	0.0	-77.35	401.99	5.17	-72.18
CC(CCF)(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843956	0	47	0.0	-63.64	343.01	4.43	-59.21
CC(CCF)(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843956	1	47	0.0	-68.07	349.25	4.40	-63.67
O=C([O-])C1C2=C(CCN1C(=O)NCC1C[N@@H+]3CC4CC3(C4)CO1)OC=C2	REAL300012843957	0	49	0.0	-61.92	364.18	6.50	-55.42
O=C([O-])C1C2=C(CCN1C(=O)NCC1C[N@H+]3CC4CC3(C4)CO1)OC=C2	REAL300012843957	1	49	0.0	-64.47	371.50	6.43	-58.04
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843958	0	45	0.0	-66.63	344.96	5.66	-60.97
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843958	1	45	0.0	-72.01	350.78	5.45	-66.56
COC1=CC=CC([C@H](NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])=C1	REAL300012843959	0	52	0.0	-75.86	404.49	5.20	-70.66
COC1=CC=CC([C@H](NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])=C1	REAL300012843959	1	52	0.0	-77.79	402.59	5.14	-72.65
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C1	REAL300012843960	0	54	0.0	-70.55	398.23	6.83	-63.72
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C1	REAL300012843960	1	54	0.0	-72.88	395.71	7.48	-65.40
COC1=CC=CC(CC(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])=C1	REAL300012843961	0	55	0.0	-71.78	420.16	6.22	-65.56
COC1=CC=CC(CC(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])=C1	REAL300012843961	1	55	0.0	-72.80	424.89	6.10	-66.70
CC1(C)CCCC(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)(C(=O)[O-])C1	REAL300012843962	0	57	0.0	-70.46	387.92	6.90	-63.56
CC1(C)CCCC(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)(C(=O)[O-])C1	REAL300012843962	1	57	0.0	-75.91	395.99	6.98	-68.93
O=C([O-])C12CC(C1)CN2C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843963	0	46	0.0	-76.44	338.25	6.46	-69.98
O=C([O-])C12CC(C1)CN2C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843963	1	46	0.0	-81.86	342.66	6.43	-75.43
COC1CN(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C(=O)[O-])C1	REAL300012843964	0	52	0.0	-76.78	386.62	5.30	-71.48
COC1CN(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(C)(C(=O)[O-])C1	REAL300012843964	1	52	0.0	-79.21	384.72	5.25	-73.96
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843965	0	55	0.0	-66.82	399.49	5.43	-61.39
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843965	1	55	0.0	-72.98	405.46	5.48	-67.50
CC(C)(C)[C@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843966	0	50	0.0	-68.66	363.08	5.03	-63.63
CC(C)(C)[C@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843966	1	50	0.0	-75.47	367.75	4.89	-70.58
C=C(Cl)CC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843967	0	45	0.0	-70.38	367.09	5.00	-65.38
C=C(Cl)CC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843967	1	45	0.0	-74.40	366.23	4.83	-69.57
C=C(C)CC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843968	0	48	0.0	-74.68	371.76	5.19	-69.49
C=C(C)CC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843968	1	48	0.0	-73.62	369.98	4.99	-68.63
O=C([O-])C12CCC(CC1)N2C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843969	0	49	0.0	-78.65	353.42	7.21	-71.44
O=C([O-])C12CCC(CC1)N2C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843969	1	49	0.0	-83.88	357.12	7.25	-76.63
CC(CC1=CC=C(F)C=C1)(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843970	0	54	0.0	-66.00	400.21	7.18	-58.82
CC(CC1=CC=C(F)C=C1)(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843970	1	54	0.0	-70.81	404.93	7.06	-63.75
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843971	0	45	0.0	-65.94	344.07	5.97	-59.97
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843971	1	45	0.0	-73.42	349.29	5.58	-67.84
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843972	0	45	0.0	-74.48	344.56	5.83	-68.65
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843972	1	45	0.0	-77.67	342.27	5.82	-71.85
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C1	REAL300012843973	0	46	0.0	-78.39	353.20	5.76	-72.63
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C1	REAL300012843973	1	46	0.0	-81.15	351.19	5.73	-75.42
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843974	0	55	0.0	-74.39	405.83	5.36	-69.03
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843974	1	55	0.0	-75.76	409.97	4.71	-71.05
CC(C)C[C@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843975	0	50	0.0	-67.99	370.94	5.26	-62.73
CC(C)C[C@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843975	1	50	0.0	-74.66	377.18	5.24	-69.42
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCOCC1	REAL300012843976	0	52	0.0	-78.20	383.34	3.62	-74.58
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCOCC1	REAL300012843976	1	52	0.0	-73.65	385.63	3.90	-69.75
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=CC=C1	REAL300012843977	0	48	0.0	-69.28	368.47	5.99	-63.29
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=CC=C1	REAL300012843977	1	48	0.0	-75.09	372.48	5.88	-69.21
O=C([O-])C(CC1CC1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843978	0	48	0.0	-67.80	364.42	5.34	-62.46
O=C([O-])C(CC1CC1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843978	1	48	0.0	-74.08	368.57	5.33	-68.75
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843979	0	47	0.0	-68.14	377.46	4.07	-64.07
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843979	1	47	0.0	-72.29	382.68	4.10	-68.19
CC(C)CCCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843980	0	56	0.0	-74.39	420.92	6.65	-67.74
CC(C)CCCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843980	1	56	0.0	-73.49	418.19	6.63	-66.86
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843981	0	54	0.0	-68.05	420.59	7.34	-60.71
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843981	1	54	0.0	-77.93	424.87	7.24	-70.69
O=C([O-])C(CC1CCCO1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843982	0	52	0.0	-71.80	388.49	4.31	-67.49
O=C([O-])C(CC1CCCO1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843982	1	52	0.0	-74.80	392.76	4.79	-70.01
CSCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843983	0	45	0.0	-65.18	355.75	4.33	-60.85
CSCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843983	1	45	0.0	-71.02	359.75	4.22	-66.80
COC[C@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843984	0	45	0.0	-69.41	344.15	2.16	-67.25
COC[C@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843984	1	45	0.0	-75.89	348.82	2.02	-73.87
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843985	0	51	0.0	-66.85	397.13	6.99	-59.86
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843985	1	51	0.0	-70.71	403.11	7.04	-63.67
CCC(C)CC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843986	0	53	0.0	-67.70	388.98	5.94	-61.76
CCC(C)CC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843986	1	53	0.0	-73.95	393.06	5.75	-68.20
C=CCCCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843987	0	51	0.0	-74.45	394.67	5.92	-68.53
C=CCCCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843987	1	51	0.0	-73.66	392.77	5.88	-67.78
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843988	0	51	0.0	-70.39	402.80	6.92	-63.47
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843988	1	51	0.0	-73.42	401.74	6.86	-66.56
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=CC2=CC=CC=C21	REAL300012843989	0	54	0.0	-72.93	409.34	8.14	-64.79
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=CC2=CC=CC=C21	REAL300012843989	1	54	0.0	-76.77	414.56	8.16	-68.61
O=C([O-])C1CSCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843990	0	46	0.0	-71.55	342.20	6.95	-64.60
O=C([O-])C1CSCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843990	1	46	0.0	-77.87	348.15	6.78	-71.09
CC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012843991	0	51	0.0	-76.24	382.82	6.67	-69.57
CC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012843991	1	51	0.0	-73.40	380.92	6.63	-66.77
O=C([O-])[C@H]1CCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843992	0	45	0.0	-80.91	338.45	5.42	-75.49
O=C([O-])[C@H]1CCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843992	1	45	0.0	-77.74	336.34	5.39	-72.35
CCCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843993	0	47	0.0	-67.81	353.79	4.69	-63.12
CCCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843993	1	47	0.0	-74.15	358.46	4.54	-69.61
CC(C)[C@@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843994	0	47	0.0	-74.20	350.30	4.24	-69.96
CC(C)[C@@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012843994	1	47	0.0	-72.01	354.00	4.36	-67.65
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843995	0	49	0.0	-83.78	357.46	7.20	-76.58
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843995	1	49	0.0	-76.73	353.14	7.30	-69.43
CCN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(C)(C)C(=O)[O-]	REAL300012843996	0	50	0.0	-77.47	363.58	6.61	-70.86
CCN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(C)(C)C(=O)[O-]	REAL300012843996	1	50	0.0	-74.09	361.64	6.54	-67.55
CCCN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(C)C(=O)[O-]	REAL300012843997	0	50	0.0	-54.24	362.58	7.35	-46.89
CCCN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(C)C(=O)[O-]	REAL300012843997	1	50	0.0	-59.32	367.62	7.16	-52.16
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843998	0	44	0.0	-69.07	351.41	6.14	-62.93
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843998	1	44	0.0	-67.62	349.51	6.09	-61.53
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012843999	0	44	0.0	-69.07	351.41	6.14	-62.93
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012843999	1	44	0.0	-67.62	349.51	6.09	-61.53
CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(C)(C)C(=O)[O-]	REAL300012844000	0	47	0.0	-69.48	337.42	5.82	-63.66
CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(C)(C)C(=O)[O-]	REAL300012844000	1	47	0.0	-74.23	342.19	5.66	-68.57
O=C([O-])[C@@H]1CCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844001	0	45	0.0	-72.16	331.23	5.81	-66.35
O=C([O-])[C@@H]1CCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844001	1	45	0.0	-80.07	335.63	5.70	-74.37
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844002	0	57	0.0	-59.01	417.39	4.03	-54.98
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844002	1	57	0.0	-64.15	423.22	4.07	-60.08
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844003	0	46	0.0	-74.67	341.48	2.00	-72.67
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844003	1	46	0.0	-79.23	347.83	2.02	-77.21
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC1	REAL300012844004	1	61	0.0	-59.41	443.75	4.06	-55.35
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC1	REAL300012844004	1	61	0.0	-63.95	448.42	3.94	-60.01
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844005	0	52	0.0	-56.31	384.45	8.89	-47.42
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844005	1	52	0.0	-63.90	390.90	8.50	-55.40
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C(=O)[O-]	REAL300012844006	0	55	0.0	-61.97	393.84	8.97	-53.00
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C(=O)[O-]	REAL300012844006	1	55	0.0	-61.26	394.12	8.86	-52.40
CCC[C@@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844007	0	47	0.0	-74.20	360.11	4.66	-69.54
CCC[C@@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844007	1	47	0.0	-71.60	358.45	4.55	-67.05
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844008	0	53	0.0	-69.04	387.84	7.12	-61.92
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844008	1	53	0.0	-73.75	394.50	7.10	-66.65
O=C([O-])[C@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=CC=C1	REAL300012844009	0	48	0.0	-76.02	375.04	5.91	-70.11
O=C([O-])[C@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=CC=C1	REAL300012844009	1	48	0.0	-73.19	374.42	6.05	-67.14
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844010	0	53	0.0	-72.53	414.31	5.85	-66.68
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844010	1	53	0.0	-72.91	414.56	5.98	-66.93
C=CCCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844011	0	48	0.0	-74.25	373.17	5.14	-69.11
C=CCCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844011	1	48	0.0	-73.20	370.44	5.12	-68.08
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844012	0	47	0.0	-66.01	377.49	3.92	-62.09
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844012	1	47	0.0	-74.11	381.70	3.86	-70.25
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844013	0	48	0.0	-63.65	395.93	5.75	-57.90
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844013	1	48	0.0	-70.01	400.59	5.61	-64.40
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844014	0	48	0.0	-79.57	361.53	3.39	-76.18
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844014	1	48	0.0	-85.40	367.02	3.08	-82.32
CN1CC(C(=O)[O-])N(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC1=O	REAL300012844015	0	49	0.0	-66.92	357.61	5.07	-61.85
CN1CC(C(=O)[O-])N(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC1=O	REAL300012844015	1	49	0.0	-72.78	365.17	5.07	-67.71
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844016	0	48	0.0	-80.45	354.76	6.28	-74.17
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844016	1	48	0.0	-72.54	347.07	6.17	-66.37
CC(C)[C@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844017	0	47	0.0	-70.13	353.04	4.37	-65.76
CC(C)[C@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844017	1	47	0.0	-74.83	355.55	4.47	-70.36
O=C([O-])[C@@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=CC=C1	REAL300012844018	0	48	0.0	-72.80	374.39	5.93	-66.87
O=C([O-])[C@@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=CC=C1	REAL300012844018	1	48	0.0	-75.09	372.48	5.88	-69.21
CC(CN1C=CC=N1)(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844019	0	51	0.0	-69.54	377.84	5.33	-64.21
CC(CN1C=CC=N1)(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844019	1	51	0.0	-75.22	386.89	5.24	-69.98
CCC[C@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844020	0	47	0.0	-66.96	352.96	4.69	-62.27
CCC[C@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844020	1	47	0.0	-73.58	357.62	4.56	-69.02
CCN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(C)C(=O)[O-]	REAL300012844021	0	47	0.0	-64.92	339.49	5.64	-59.28
CCN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(C)C(=O)[O-]	REAL300012844021	1	47	0.0	-68.20	344.16	5.52	-62.68
O=C([O-])CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCCC1	REAL300012844022	0	51	0.0	-58.20	373.14	7.21	-50.99
O=C([O-])CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCCC1	REAL300012844022	1	51	0.0	-62.94	372.79	7.28	-55.66
CC(CN(C)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844023	0	47	0.0	-68.16	343.52	5.40	-62.76
CC(CN(C)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844023	1	47	0.0	-72.66	348.19	5.27	-67.39
CC[C@H](C)[C@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844024	0	50	0.0	-68.45	363.53	4.88	-63.57
CC[C@H](C)[C@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844024	1	50	0.0	-74.62	369.03	4.90	-69.72
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844025	0	47	0.0	-64.97	343.76	6.04	-58.93
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844025	1	47	0.0	-71.07	348.91	6.04	-65.03
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC(CO)C1	REAL300012844026	0	49	0.0	-70.83	363.90	1.82	-69.01
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC(CO)C1	REAL300012844026	1	49	0.0	-78.54	372.06	1.87	-76.67
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844027	0	57	0.0	-69.40	414.98	5.25	-64.15
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844027	1	57	0.0	-76.34	421.21	5.24	-71.10
CC1CCC(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)(C(=O)[O-])C1	REAL300012844028	0	51	0.0	-69.72	366.69	5.47	-64.25
CC1CCC(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)(C(=O)[O-])C1	REAL300012844028	1	51	0.0	-78.03	373.86	5.64	-72.39
CC1(C)CCCC1(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844029	0	54	0.0	-70.72	376.25	6.26	-64.46
CC1(C)CCCC1(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844029	1	54	0.0	-75.04	384.14	6.36	-68.68
COCCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844030	0	48	0.0	-74.38	372.29	2.94	-71.44
COCCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844030	1	48	0.0	-74.30	370.63	2.84	-71.46
CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012844031	0	54	0.0	-73.47	406.36	8.87	-64.60
CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012844031	1	54	0.0	-70.65	403.96	8.72	-61.93
CC1(C)CC(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)(C(=O)[O-])C1	REAL300012844032	0	51	0.0	-71.21	368.07	6.24	-64.97
CC1(C)CC(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)(C(=O)[O-])C1	REAL300012844032	1	51	0.0	-71.33	368.49	6.13	-65.20
CC1CCC(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)(C(=O)[O-])C2=CC=CC=C21	REAL300012844033	0	58	0.0	-71.93	417.23	8.33	-63.60
CC1CCC(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)(C(=O)[O-])C2=CC=CC=C21	REAL300012844033	1	58	0.0	-77.85	423.55	8.34	-69.51
CC1(C(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])CC1	REAL300012844034	0	48	0.0	-71.97	364.46	5.00	-66.97
CC1(C(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])CC1	REAL300012844034	1	48	0.0	-72.67	367.32	5.07	-67.60
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844035	0	57	0.0	-76.44	422.65	5.11	-71.33
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844035	1	57	0.0	-74.07	422.86	5.13	-68.94
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844036	0	46	0.0	-78.61	341.83	2.30	-76.31
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844036	1	46	0.0	-82.97	346.41	2.15	-80.82
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844037	0	56	0.0	-62.43	408.87	9.46	-52.97
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844037	1	56	0.0	-63.88	416.86	9.49	-54.39
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCOC1	REAL300012844038	0	49	0.0	-68.81	369.22	2.87	-65.94
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCOC1	REAL300012844038	1	49	0.0	-70.09	365.47	2.91	-67.18
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844039	0	49	0.0	-75.21	353.15	6.95	-68.26
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844039	1	49	0.0	-75.58	351.56	6.74	-68.84
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CNC2=CC=CC=C12	REAL300012844040	0	52	0.0	-75.60	400.12	6.13	-69.47
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CNC2=CC=CC=C12	REAL300012844040	1	52	0.0	-82.81	406.79	6.03	-76.78
O=C([O-])C12COC(CN1C(=O)NCC1C[N@@H+]3CC4CC3(C4)CO1)C2	REAL300012844041	0	47	0.0	-72.39	345.39	4.68	-67.71
O=C([O-])C12COC(CN1C(=O)NCC1C[N@H+]3CC4CC3(C4)CO1)C2	REAL300012844041	1	47	0.0	-79.41	349.63	4.59	-74.82
CC1CCC(C(=O)[O-])N(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C1	REAL300012844042	0	51	0.0	-74.62	358.61	7.96	-66.66
CC1CCC(C(=O)[O-])N(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C1	REAL300012844042	1	51	0.0	-74.79	357.18	7.74	-67.05
CC(C1=CC=CC=C1)C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844043	0	54	0.0	-67.32	405.82	7.28	-60.04
CC(C1=CC=CC=C1)C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844043	1	54	0.0	-73.86	410.94	7.24	-66.62
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844044	0	55	0.0	-67.23	400.19	7.79	-59.44
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844044	1	55	0.0	-72.22	411.15	7.03	-65.19
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCC1	REAL300012844045	0	48	0.0	-67.38	356.35	4.90	-62.48
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCC1	REAL300012844045	1	48	0.0	-72.07	358.25	4.86	-67.21
CC1(C)CC(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)(C(=O)[O-])CC(C)(C)O1	REAL300012844046	0	61	0.0	-69.45	423.88	6.66	-62.79
CC1(C)CC(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)(C(=O)[O-])CC(C)(C)O1	REAL300012844046	1	61	0.0	-73.60	431.76	6.65	-66.95
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCCCC1	REAL300012844047	0	54	0.0	-68.97	390.95	6.37	-62.60
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCCCC1	REAL300012844047	1	54	0.0	-73.01	391.58	6.18	-66.83
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCC1	REAL300012844048	0	48	0.0	-67.38	356.35	4.90	-62.48
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCC1	REAL300012844048	1	48	0.0	-72.07	358.25	4.86	-67.21
CC1CCN(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C1C(=O)[O-]	REAL300012844049	0	48	0.0	-72.99	346.37	6.18	-66.81
CC1CCN(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C1C(=O)[O-]	REAL300012844049	1	48	0.0	-79.67	360.02	5.96	-73.71
C=CCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844050	0	45	0.0	-67.12	345.32	4.43	-62.69
C=CCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844050	1	45	0.0	-73.51	351.59	4.41	-69.10
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844051	0	55	0.0	-70.94	406.50	5.09	-65.85
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844051	1	55	0.0	-77.92	412.72	5.07	-72.85
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844052	0	55	0.0	-59.78	385.27	7.59	-52.19
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844052	1	55	0.0	-55.30	384.56	7.62	-47.68
CC1(C)CC(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)(C(=O)[O-])CCO1	REAL300012844053	0	55	0.0	-70.50	380.53	4.84	-65.66
CC1(C)CC(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)(C(=O)[O-])CCO1	REAL300012844053	1	55	0.0	-74.82	388.59	4.92	-69.90
CC1=CC=CC2=C1CCN(C(=O)NCC1C[N@@H+]3CC4CC3(C4)CO1)C2C(=O)[O-]	REAL300012844054	0	55	0.0	-63.33	399.97	8.95	-54.38
CC1=CC=CC2=C1CCN(C(=O)NCC1C[N@H+]3CC4CC3(C4)CO1)C2C(=O)[O-]	REAL300012844054	1	55	0.0	-63.09	398.54	8.74	-54.35
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844055	0	49	0.0	-62.14	361.05	6.73	-55.41
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844055	1	49	0.0	-57.69	360.12	6.62	-51.07
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844056	0	55	0.0	-67.23	400.19	7.79	-59.44
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844056	1	55	0.0	-72.22	411.15	7.03	-65.19
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844057	0	51	0.0	-69.84	397.07	7.00	-62.84
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844057	1	51	0.0	-70.09	401.80	6.87	-63.22
COC1CC(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)(C(=O)[O-])C1	REAL300012844058	0	49	0.0	-66.90	363.10	3.40	-63.50
COC1CC(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)(C(=O)[O-])C1	REAL300012844058	1	49	0.0	-80.58	373.15	3.55	-77.03
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC(F)(F)C1	REAL300012844059	0	45	0.0	-63.16	345.71	4.93	-58.23
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC(F)(F)C1	REAL300012844059	1	45	0.0	-69.03	340.48	4.44	-64.59
CO[C@H]1C[C@](NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)(C(=O)[O-])C1	REAL300012844060	0	49	0.0	-72.00	369.91	3.29	-68.71
CO[C@H]1C[C@](NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)(C(=O)[O-])C1	REAL300012844060	1	49	0.0	-68.58	364.06	3.68	-64.90
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1(C(F)(F)F)CC1	REAL300012844061	0	48	0.0	-67.75	381.67	5.19	-62.56
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1(C(F)(F)F)CC1	REAL300012844061	1	48	0.0	-66.48	379.11	5.44	-61.04
CCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844062	0	51	0.0	-74.47	361.42	7.62	-66.85
CCC1(C(=O)[O-])CCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844062	1	51	0.0	-80.88	368.57	7.42	-73.46
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844063	0	44	0.0	-68.69	354.79	4.51	-64.18
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844063	1	44	0.0	-67.79	352.06	4.50	-63.29
O=C([O-])C(CC1CCOC1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844064	0	52	0.0	-69.92	386.28	3.93	-65.99
O=C([O-])C(CC1CCOC1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844064	1	52	0.0	-71.71	387.70	3.64	-68.07
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)COC1	REAL300012844065	0	43	0.0	-65.29	323.85	1.68	-63.61
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)COC1	REAL300012844065	1	43	0.0	-70.27	330.14	1.67	-68.60
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844066	0	48	0.0	-67.92	382.35	6.05	-61.87
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844066	1	48	0.0	-70.64	387.30	5.85	-64.79
COCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012844067	0	55	0.0	-68.21	409.43	5.99	-62.22
COCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300012844067	1	55	0.0	-73.03	414.10	5.85	-67.18
CC(C)C(C)(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844068	0	50	0.0	-66.72	351.36	4.91	-61.81
CC(C)C(C)(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844068	1	50	0.0	-74.40	356.01	4.78	-69.62
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844069	0	46	0.0	-75.40	338.35	6.99	-68.41
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844069	1	46	0.0	-75.43	337.06	6.82	-68.61
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844070	0	49	0.0	-74.58	352.86	6.33	-68.25
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844070	1	49	0.0	-79.46	358.81	6.31	-73.15
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844071	0	54	0.0	-54.70	399.21	9.51	-45.19
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844071	1	54	0.0	-53.89	402.78	9.66	-44.23
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844072	0	57	0.0	-68.47	412.62	7.12	-61.35
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844072	1	57	0.0	-72.25	417.34	6.98	-65.27
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844073	0	54	0.0	-72.63	420.26	7.63	-65.00
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844073	1	54	0.0	-75.16	419.92	7.68	-67.48
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844074	0	54	0.0	-68.25	413.46	7.77	-60.48
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844074	1	54	0.0	-72.09	418.12	7.63	-64.46
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CC2CCC1C2	REAL300012844075	0	55	0.0	-69.76	391.66	6.50	-63.26
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CC2CCC1C2	REAL300012844075	1	55	0.0	-75.73	399.37	6.61	-69.12
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844076	0	57	0.0	-74.93	418.99	7.10	-67.83
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844076	1	57	0.0	-72.24	417.34	6.98	-65.26
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844077	0	57	0.0	-71.53	418.36	7.04	-64.49
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844077	1	57	0.0	-75.00	418.84	7.11	-67.89
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844078	0	55	0.0	-57.18	393.75	7.73	-49.45
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844078	1	55	0.0	-56.59	398.99	7.78	-48.81
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844079	0	55	0.0	-82.51	393.46	7.41	-75.10
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844079	1	55	0.0	-74.52	389.40	7.56	-66.96
COC1=CC=C(CC(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1	REAL300012844080	0	55	0.0	-69.46	419.96	6.29	-63.17
COC1=CC=C(CC(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1	REAL300012844080	1	55	0.0	-73.73	426.20	6.28	-67.45
C=CCSCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844081	0	49	0.0	-65.62	390.26	5.72	-59.90
C=CCSCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844081	1	49	0.0	-69.31	396.25	5.77	-63.54
N#CC1=CC=C(CC(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1	REAL300012844082	0	52	0.0	-67.50	411.29	7.39	-60.11
N#CC1=CC=C(CC(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1	REAL300012844082	1	52	0.0	-72.24	417.77	7.30	-64.94
CCC(C(=O)[O-])N(CC)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844083	0	50	0.0	-68.79	358.30	7.34	-61.45
CCC(C(=O)[O-])N(CC)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844083	1	50	0.0	-68.72	361.16	6.48	-62.24
COC1(C(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])CCC1	REAL300012844084	0	52	0.0	-78.54	387.47	3.69	-74.85
COC1(C(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])CCC1	REAL300012844084	1	52	0.0	-69.43	385.39	3.57	-65.86
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCC(C(F)F)CC1	REAL300012844085	0	54	0.0	-68.33	387.03	6.20	-62.13
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCC(C(F)F)CC1	REAL300012844085	1	54	0.0	-74.63	393.35	6.17	-68.46
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCC2=CC=CC=C2C1	REAL300012844086	0	55	0.0	-70.03	397.96	7.96	-62.07
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCC2=CC=CC=C2C1	REAL300012844086	1	55	0.0	-75.89	404.38	7.93	-67.96
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC(C(F)F)C1	REAL300012844087	0	48	0.0	-73.38	363.63	5.38	-68.00
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC(C(F)F)C1	REAL300012844087	1	48	0.0	-81.35	371.62	5.42	-75.93
CC(C)C1=CC=C(C(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1	REAL300012844089	0	57	0.0	-68.93	428.70	7.92	-61.01
CC(C)C1=CC=C(C(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1	REAL300012844089	1	57	0.0	-75.29	433.32	7.78	-67.51
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844090	0	45	0.0	-74.48	344.56	5.83	-68.65
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844090	1	45	0.0	-77.67	342.27	5.82	-71.85
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844091	0	47	0.0	-56.34	344.28	6.59	-49.75
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844091	1	47	0.0	-57.30	346.89	6.59	-50.71
CC1(C)CCN(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C1C(=O)[O-]	REAL300012844092	0	51	0.0	-74.17	365.43	6.36	-67.81
CC1(C)CCN(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C1C(=O)[O-]	REAL300012844092	1	51	0.0	-79.30	373.48	6.45	-72.85
CCOC1=CC=C(C(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1	REAL300012844093	0	55	0.0	-68.39	419.55	6.28	-62.11
CCOC1=CC=C(C(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C(=O)[O-])C=C1	REAL300012844093	1	55	0.0	-74.68	423.84	6.10	-68.58
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844094	0	55	0.0	-73.66	388.06	8.73	-64.93
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844094	1	55	0.0	-80.43	392.36	8.42	-72.01
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCC2=CC=CC=C21	REAL300012844095	0	55	0.0	-77.50	414.63	8.07	-69.43
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCC2=CC=CC=C21	REAL300012844095	1	55	0.0	-81.06	412.73	8.03	-73.03
CC(COC1=CC=CC=C1)(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844096	0	55	0.0	-72.40	410.88	7.04	-65.36
CC(COC1=CC=CC=C1)(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844096	1	55	0.0	-77.14	415.55	6.90	-70.24
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844097	0	51	0.0	-70.40	404.44	6.98	-63.42
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844097	1	51	0.0	-71.77	403.59	7.04	-64.73
CC(C)CCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844098	0	53	0.0	-67.45	392.61	6.04	-61.41
CC(C)CCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844098	1	53	0.0	-73.68	396.69	5.85	-67.83
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844099	0	52	0.0	-57.35	378.75	7.26	-50.09
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844099	1	52	0.0	-57.35	376.56	7.10	-50.25
O=C([O-])C(CC1CCOC1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844100	0	52	0.0	-69.92	386.28	3.93	-65.99
O=C([O-])C(CC1CCOC1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844100	1	52	0.0	-71.71	387.70	3.64	-68.07
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C1	REAL300012844101	0	49	0.0	-75.30	381.33	6.93	-68.37
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C1	REAL300012844101	1	49	0.0	-77.87	378.97	6.88	-70.99
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCCC2CC21	REAL300012844102	0	52	0.0	-72.24	367.65	6.77	-65.47
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCCC2CC21	REAL300012844102	1	52	0.0	-76.70	372.30	6.63	-70.07
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCC2CC21	REAL300012844103	0	49	0.0	-70.50	356.01	5.67	-64.83
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCC2CC21	REAL300012844103	1	49	0.0	-78.22	362.56	5.64	-72.58
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC2(CCC2)C1	REAL300012844104	0	52	0.0	-77.76	382.84	6.15	-71.61
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC2(CCC2)C1	REAL300012844104	1	52	0.0	-69.48	374.55	6.06	-63.42
CN(C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012844105	0	54	0.0	-67.98	399.29	8.84	-59.14
CN(C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012844105	1	54	0.0	-71.06	407.51	8.97	-62.09
O=C([O-])C1CC2(CN1C(=O)NCC1C[N@@H+]3CC4CC3(C4)CO1)CCCCC2	REAL300012844106	0	58	0.0	-57.23	407.85	8.21	-49.02
O=C([O-])C1CC2(CN1C(=O)NCC1C[N@H+]3CC4CC3(C4)CO1)CCCCC2	REAL300012844106	1	58	0.0	-56.68	413.24	8.26	-48.42
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCCC1	REAL300012844107	0	51	0.0	-67.41	371.59	5.55	-61.86
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCCC1	REAL300012844107	1	51	0.0	-73.01	374.72	5.42	-67.59
CO[C@H](C)[C@H](NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844108	0	48	0.0	-68.93	362.16	3.22	-65.71
CO[C@H](C)[C@H](NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844108	1	48	0.0	-75.37	368.05	3.15	-72.22
CC1[C@@H](C)[C@@]1(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844109	0	48	0.0	-76.72	358.06	5.37	-71.35
CC1[C@@H](C)[C@@]1(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844109	1	48	0.0	-68.97	346.86	5.06	-63.91
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844110	0	51	0.0	-58.70	389.16	8.72	-49.98
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844110	1	51	0.0	-63.70	393.88	8.59	-55.11
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C1	REAL300012844111	0	51	0.0	-61.53	377.39	6.54	-54.99
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C1	REAL300012844111	1	51	0.0	-57.31	378.08	6.56	-50.75
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844112	0	48	0.0	-70.96	353.10	6.97	-63.99
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844112	1	48	0.0	-79.58	360.19	7.12	-72.46
O=C([O-])C1N(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCC1(F)F	REAL300012844113	0	45	0.0	-75.12	340.94	5.86	-69.26
O=C([O-])C1N(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCC1(F)F	REAL300012844113	1	45	0.0	-78.50	350.95	5.49	-73.01
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844114	0	51	0.0	-69.84	397.07	7.00	-62.84
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844114	1	51	0.0	-70.09	401.80	6.87	-63.22
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844115	0	48	0.0	-74.16	387.95	5.83	-68.33
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844115	1	48	0.0	-72.13	386.26	5.70	-66.43
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844116	0	48	0.0	-70.59	360.64	6.59	-64.00
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844116	1	48	0.0	-72.59	364.90	6.35	-66.24
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC2(CC(F)(F)C2)C1	REAL300012844117	0	52	0.0	-70.19	395.47	6.66	-63.53
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC2(CC(F)(F)C2)C1	REAL300012844117	1	52	0.0	-77.98	401.80	6.63	-71.35
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844118	0	48	0.0	-74.16	387.95	5.83	-68.33
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844118	1	48	0.0	-72.13	386.26	5.70	-66.43
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844119	0	52	0.0	-83.11	375.15	6.78	-76.33
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844119	1	52	0.0	-79.80	374.53	7.04	-72.76
COCCCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844120	0	51	0.0	-73.51	393.79	3.72	-69.79
COCCCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844120	1	51	0.0	-72.94	391.30	3.64	-69.30
CCCC(C(=O)[O-])N(C)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844121	0	50	0.0	-70.74	371.83	6.74	-64.00
CCCC(C(=O)[O-])N(C)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844121	1	50	0.0	-71.19	370.40	6.82	-64.37
CCOCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844122	0	48	0.0	-69.94	366.00	3.14	-66.80
CCOCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844122	1	48	0.0	-76.18	370.67	3.00	-73.18
CC(C)(C)CC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844123	0	53	0.0	-67.67	382.76	6.39	-61.28
CC(C)(C)CC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844123	1	53	0.0	-71.57	387.55	6.23	-65.34
O=C([O-])C(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C1CCCCO1	REAL300012844124	0	52	0.0	-73.14	386.70	3.92	-69.22
O=C([O-])C(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C1CCCCO1	REAL300012844124	1	52	0.0	-77.41	389.62	4.50	-72.91
O=C([O-])C1(NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CC2=CC=CC=C2C1	REAL300012844125	0	52	0.0	-70.35	387.74	7.29	-63.06
O=C([O-])C1(NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CC2=CC=CC=C2C1	REAL300012844125	1	52	0.0	-70.42	386.57	7.03	-63.39
C[C@H]1OCCN(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)[C@@H]1C(=O)[O-]	REAL300012844126	0	49	0.0	-80.18	360.38	5.30	-74.88
C[C@H]1OCCN(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)[C@@H]1C(=O)[O-]	REAL300012844126	1	49	0.0	-80.20	358.58	5.24	-74.96
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844127	0	51	0.0	-69.47	371.74	6.69	-62.78
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844127	1	51	0.0	-67.73	373.93	6.68	-61.05
N#CCCC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844128	0	45	0.0	-68.90	352.90	4.48	-64.42
N#CCCC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300012844128	1	45	0.0	-75.27	357.81	4.28	-70.99
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844129	0	54	0.0	-71.59	420.38	7.24	-64.35
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844129	1	54	0.0	-76.93	420.71	7.14	-69.79
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844130	0	48	0.0	-60.00	365.28	6.61	-53.39
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844130	1	48	0.0	-64.36	375.55	6.73	-57.63
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844131	0	59	0.0	-72.47	404.51	7.36	-65.11
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844131	1	59	0.0	-80.07	410.64	7.36	-72.71
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300012844132	0	50	0.0	-64.31	402.21	5.61	-58.70
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300012844132	1	50	0.0	-72.52	407.27	5.44	-67.08
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C1	REAL300012844133	0	52	0.0	-72.51	386.45	5.74	-66.77
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C1	REAL300012844133	1	52	0.0	-76.58	389.95	5.74	-70.84
CC1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300012844548	0	53	0.0	-59.81	419.58	7.84	-51.97
CC(C)C[C@H](NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844864	0	53	0.0	-68.05	383.71	7.71	-60.34
CC(C)C[C@H](NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844864	1	53	0.0	-77.52	388.12	8.49	-69.03
C=CCOCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844865	0	52	0.0	-69.48	392.46	6.13	-63.35
C=CCOCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844865	1	52	0.0	-75.63	395.90	7.02	-68.61
C=CC(C)C(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844866	0	51	0.0	-58.44	377.40	7.49	-50.95
C=CC(C)C(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844866	1	51	0.0	-75.01	378.24	8.29	-66.72
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012844867	0	55	0.0	-62.11	390.32	6.13	-55.98
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012844867	1	55	0.0	-76.48	393.35	7.05	-69.43
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012844868	0	51	0.0	-64.89	390.73	9.85	-55.04
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012844868	1	51	0.0	-72.12	398.29	9.38	-62.74
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012844869	0	51	0.0	-65.11	400.85	10.22	-54.89
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012844869	1	51	0.0	-71.52	407.93	9.91	-61.61
COC1CCN(C(=O)NC(C)CC2CCCC[N@@H+]2C)C(C(=O)[O-])C1	REAL300012844870	0	55	0.0	-69.34	387.66	8.27	-61.07
COC1CCN(C(=O)NC(C)CC2CCCC[N@H+]2C)C(C(=O)[O-])C1	REAL300012844870	1	55	0.0	-86.77	389.48	9.28	-77.49
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012844871	0	55	0.0	-66.51	390.29	6.21	-60.30
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012844871	1	55	0.0	-72.45	397.42	7.30	-65.15
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012844872	0	54	0.0	-67.17	376.41	9.84	-57.33
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012844872	1	54	0.0	-85.47	379.69	10.75	-74.72
CC1=CC(C(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])=CC=C1F	REAL300012844873	0	54	0.0	-67.87	404.71	10.43	-57.44
CC1=CC(C(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])=CC=C1F	REAL300012844873	1	54	0.0	-74.56	412.32	9.96	-64.60
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012844874	0	56	0.0	-74.52	420.91	9.14	-65.38
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012844874	1	56	0.0	-75.22	421.25	9.19	-66.03
CC1=CC(C(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])=CC(C)=C1	REAL300012844875	0	57	0.0	-68.18	424.20	9.77	-58.41
CC1=CC(C(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])=CC(C)=C1	REAL300012844875	1	57	0.0	-78.64	428.18	10.66	-67.98
CC1=CC=C(C(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])C=C1C	REAL300012844876	0	57	0.0	-71.68	416.68	10.86	-60.82
CC1=CC=C(C(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])C=C1C	REAL300012844876	1	57	0.0	-76.66	424.71	10.48	-66.18
COC1=CC=C(C(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])C=C1Cl	REAL300012844877	0	55	0.0	-67.59	423.55	9.59	-58.00
COC1=CC=C(C(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])C=C1Cl	REAL300012844877	1	55	0.0	-75.57	431.11	9.11	-66.46
CC1=CC=CC(C(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])=C1C	REAL300012844878	0	57	0.0	-72.12	410.23	10.74	-61.38
CC1=CC=CC(C(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])=C1C	REAL300012844878	1	57	0.0	-78.93	421.80	9.73	-69.20
COC1=CC=C(C(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])C=C1F	REAL300012844879	0	55	0.0	-68.24	413.98	9.03	-59.21
COC1=CC=C(C(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])C=C1F	REAL300012844879	1	55	0.0	-76.04	421.06	8.70	-67.34
CC(CC1CCCC[N@@H+]1C)NC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012844880	0	54	0.0	-62.78	371.42	8.94	-53.84
CC(CC1CCCC[N@H+]1C)NC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012844880	1	54	0.0	-24.02	352.30	10.90	-13.12
CCCN(C(=O)NC(C)CC1CCCC[N@@H+]1C)C(COC)C(=O)[O-]	REAL300012844881	0	57	0.0	-81.88	407.91	9.56	-72.32
CCCN(C(=O)NC(C)CC1CCCC[N@H+]1C)C(COC)C(=O)[O-]	REAL300012844881	1	57	0.0	-70.59	407.22	9.85	-60.74
CCCN(C(=O)NC(C)CC1CCCC[N@@H+]1C)C(CC)C(=O)[O-]	REAL300012844882	0	56	0.0	-75.68	391.91	9.58	-66.10
CCCN(C(=O)NC(C)CC1CCCC[N@H+]1C)C(CC)C(=O)[O-]	REAL300012844882	1	56	0.0	-66.45	390.78	9.78	-56.67
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCCCC1C(=O)[O-]	REAL300012844883	0	51	0.0	-70.40	355.52	9.28	-61.12
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCCCC1C(=O)[O-]	REAL300012844883	1	51	0.0	-84.96	358.83	10.15	-74.81
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012844884	0	51	0.0	-64.64	398.73	8.92	-55.72
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012844884	1	51	0.0	-73.90	401.70	9.82	-64.08
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCSCC1C(=O)[O-]	REAL300012844885	0	49	0.0	-88.23	356.30	9.36	-78.87
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCSCC1C(=O)[O-]	REAL300012844885	1	49	0.0	-85.25	362.91	9.56	-75.69
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012844886	0	54	0.0	-83.63	375.73	8.36	-75.27
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012844886	1	54	0.0	-77.21	378.95	9.40	-67.81
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCCC1	REAL300012844887	0	51	0.0	-60.36	360.85	7.44	-52.92
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCCC1	REAL300012844887	1	51	0.0	-81.75	363.90	8.27	-73.48
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012844888	0	57	0.0	-78.41	385.75	8.83	-69.58
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012844888	1	57	0.0	-81.98	388.68	9.96	-72.02
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012844889	0	54	0.0	-59.89	403.93	9.43	-50.46
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012844889	1	54	0.0	-76.01	407.85	10.21	-65.80
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012844890	0	54	0.0	-47.62	402.72	11.16	-36.46
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012844890	1	54	0.0	-63.08	405.39	11.97	-51.11
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012844891	0	51	0.0	-60.84	382.00	8.40	-52.44
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012844891	1	51	0.0	-75.94	385.58	9.27	-66.67
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012844892	0	51	0.0	-67.61	381.75	8.49	-59.12
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012844892	1	51	0.0	-59.78	381.36	8.44	-51.34
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012844893	0	54	0.0	-59.89	403.93	9.43	-50.46
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012844893	1	54	0.0	-76.01	407.85	10.21	-65.80
CCC(C)C(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844894	0	53	0.0	-67.11	378.06	7.51	-59.60
CCC(C)C(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844894	1	53	0.0	-74.17	379.36	8.21	-65.96
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCCCC1C(=O)[O-]	REAL300012844895	0	51	0.0	-70.40	355.52	9.28	-61.12
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCCCC1C(=O)[O-]	REAL300012844895	1	51	0.0	-84.96	358.83	10.15	-74.81
CCCC(C)(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844896	0	53	0.0	-67.22	371.48	7.46	-59.76
CCCC(C)(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844896	1	53	0.0	-78.91	371.83	7.27	-71.64
CC(C)CN(CC(=O)[O-])C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300012844897	0	53	0.0	-57.87	381.06	9.32	-48.55
CC(C)CN(CC(=O)[O-])C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300012844897	1	53	0.0	-52.84	372.19	9.68	-43.16
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012844898	0	55	0.0	-89.55	393.82	11.28	-78.27
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012844898	1	55	0.0	-90.63	401.70	11.90	-78.73
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012844899	0	51	0.0	-67.94	359.43	7.45	-60.49
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012844899	1	51	0.0	-79.60	359.78	7.26	-72.34
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012844900	0	48	0.0	-74.13	374.00	7.29	-66.84
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012844900	1	48	0.0	-73.46	376.97	8.42	-65.04
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012844901	0	54	0.0	-83.63	375.73	8.36	-75.27
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012844901	1	54	0.0	-77.21	378.95	9.40	-67.81
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012844902	0	54	0.0	-44.82	413.44	11.39	-33.43
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012844902	1	54	0.0	-60.38	422.16	12.50	-47.88
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012844903	0	58	0.0	-69.41	433.11	9.48	-59.93
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012844903	1	58	0.0	-77.06	440.55	9.61	-67.45
CC[C@H](C)[C@H](NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844904	0	53	0.0	-68.79	377.08	7.29	-61.50
CC[C@H](C)[C@H](NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844904	1	53	0.0	-74.32	383.63	7.52	-66.80
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCCC1	REAL300012844905	0	51	0.0	-60.36	360.85	7.44	-52.92
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCCC1	REAL300012844905	1	51	0.0	-81.75	363.90	8.27	-73.48
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012844906	0	54	0.0	-45.34	403.10	10.94	-34.40
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012844906	1	54	0.0	-60.49	411.84	12.05	-48.44
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012844907	0	55	0.0	-60.13	399.98	9.58	-50.55
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012844907	1	55	0.0	-76.73	403.55	10.45	-66.28
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012844908	0	51	0.0	-74.94	395.58	9.42	-65.52
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012844908	1	51	0.0	-78.81	400.12	8.71	-70.10
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012844909	0	54	0.0	-59.43	389.81	9.19	-50.24
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012844909	1	54	0.0	-79.74	397.06	9.37	-70.37
CCCCCCC(C)(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844910	0	62	0.0	-67.36	435.98	9.79	-57.57
CCCCCCC(C)(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844910	1	62	0.0	-79.14	436.33	9.61	-69.53
CC(CC1CCCC[N@@H+]1C)NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012844911	0	57	0.0	-72.50	415.14	11.28	-61.22
CC(CC1CCCC[N@H+]1C)NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012844911	1	57	0.0	-73.51	420.92	11.48	-62.03
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012844912	0	51	0.0	-64.64	398.73	8.92	-55.72
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012844912	1	51	0.0	-73.90	401.70	9.82	-64.08
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCOCC1C(=O)[O-]	REAL300012844913	0	49	0.0	-85.67	347.03	6.67	-79.00
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCOCC1C(=O)[O-]	REAL300012844913	1	49	0.0	-84.28	353.93	7.01	-77.27
CC(CC1CCCC[N@@H+]1C)NC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012844914	0	57	0.0	-61.49	384.61	9.86	-51.63
CC(CC1CCCC[N@H+]1C)NC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012844914	1	57	0.0	-81.42	391.69	10.14	-71.28
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012844915	0	57	0.0	-48.43	425.18	11.94	-36.49
CC(CC1CCCC[N@H+]1C)NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012844915	1	57	0.0	-55.65	418.79	12.43	-43.22
CC(CC1CCCC[N@@H+]1C)NC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012844916	0	54	0.0	-75.41	389.80	9.89	-65.52
CC(CC1CCCC[N@H+]1C)NC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012844916	1	54	0.0	-74.04	395.92	10.25	-63.79
COCCN(CC(=O)[O-])C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300012844917	0	51	0.0	-48.30	375.16	7.67	-40.63
COCCN(CC(=O)[O-])C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300012844917	1	51	0.0	-54.91	365.85	8.77	-46.14
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012844918	0	55	0.0	-80.59	396.96	9.29	-71.30
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012844918	1	55	0.0	-79.32	400.29	10.35	-68.97
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012844919	0	51	0.0	-82.21	350.05	10.48	-71.73
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012844919	1	51	0.0	-85.28	358.80	10.14	-75.14
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012844920	0	51	0.0	-73.58	361.72	8.77	-64.81
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012844920	1	51	0.0	-83.98	365.28	9.64	-74.34
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012844921	0	58	0.0	-88.59	438.29	9.17	-79.42
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012844921	1	58	0.0	-82.11	441.51	10.21	-71.90
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCCCCC1C(=O)[O-]	REAL300012844922	0	54	0.0	-83.81	370.92	9.95	-73.86
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCCCCC1C(=O)[O-]	REAL300012844922	1	54	0.0	-80.33	371.99	10.23	-70.10
CCCCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844923	0	53	0.0	-68.06	388.84	7.89	-60.17
CCCCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844923	1	53	0.0	-77.12	392.42	8.73	-68.39
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012844924	0	57	0.0	-48.43	425.18	11.94	-36.49
CC(CC1CCCC[N@H+]1C)NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012844924	1	57	0.0	-55.65	418.79	12.43	-43.22
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012844925	0	51	0.0	-81.01	362.06	8.58	-72.43
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012844925	1	51	0.0	-83.97	365.28	9.66	-74.31
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012844926	0	54	0.0	-46.33	380.12	9.72	-36.61
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012844926	1	54	0.0	-62.02	382.81	10.55	-51.47
COCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844927	0	48	0.0	-60.45	357.70	4.58	-55.87
COCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844927	1	48	0.0	-78.37	361.28	5.43	-72.94
CCCCCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844928	0	56	0.0	-67.53	409.51	8.68	-58.85
CCCCCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844928	1	56	0.0	-76.44	413.09	9.54	-66.90
CCC1CCC(NC(=O)NC(C)CC2CCCC[N@@H+]2C)(C(=O)[O-])CC1	REAL300012844929	0	60	0.0	-55.97	408.06	9.06	-46.91
CCC1CCC(NC(=O)NC(C)CC2CCCC[N@H+]2C)(C(=O)[O-])CC1	REAL300012844929	1	60	0.0	-83.28	421.62	10.00	-73.28
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012844930	0	55	0.0	-46.63	388.70	8.05	-38.58
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012844930	1	55	0.0	-62.64	391.26	8.87	-53.77
CC(CC1CCCC[N@@H+]1C)NC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012844931	0	54	0.0	-62.73	373.11	9.42	-53.31
CC(CC1CCCC[N@H+]1C)NC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012844931	1	54	0.0	-81.23	376.25	10.29	-70.94
CC(CC1CCCC[N@@H+]1C)NC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012844932	0	51	0.0	-60.43	362.10	8.71	-51.72
CC(CC1CCCC[N@H+]1C)NC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012844932	1	51	0.0	-59.39	369.38	8.86	-50.53
CCC(C(=O)[O-])N(C(=O)NC(C)CC1CCCC[N@@H+]1C)C1CC1	REAL300012844933	0	54	0.0	-49.30	382.86	9.83	-39.47
CCC(C(=O)[O-])N(C(=O)NC(C)CC1CCCC[N@H+]1C)C1CC1	REAL300012844933	1	54	0.0	-63.69	389.47	10.03	-53.66
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012844934	0	51	0.0	-78.17	394.33	8.65	-69.52
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012844934	1	51	0.0	-62.32	393.93	8.83	-53.49
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012844935	0	51	0.0	-81.78	386.54	8.37	-73.41
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012844935	1	51	0.0	-64.81	385.62	8.52	-56.29
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012844936	0	55	0.0	-57.11	397.75	10.57	-46.54
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012844936	1	55	0.0	-86.20	402.95	10.98	-75.22
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012844937	0	54	0.0	-72.30	418.64	9.65	-62.65
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012844937	1	54	0.0	-79.01	423.06	10.55	-68.46
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012844938	0	60	0.0	-72.57	447.64	11.41	-61.16
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012844938	1	60	0.0	-79.34	451.52	12.28	-67.06
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012844939	0	60	0.0	-70.61	420.06	10.60	-60.01
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012844939	1	60	0.0	-78.26	429.76	10.40	-67.86
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012844940	0	57	0.0	-61.75	414.82	11.68	-50.07
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012844940	1	57	0.0	-56.42	417.12	12.60	-43.82
CC1=CC=C(C(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012844941	0	54	0.0	-67.91	403.37	9.08	-58.83
CC1=CC=C(C(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012844941	1	54	0.0	-78.15	406.98	9.94	-68.21
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012844942	0	47	0.0	-60.96	360.95	7.07	-53.89
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012844942	1	47	0.0	-68.79	365.36	7.89	-60.90
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012844943	0	57	0.0	-76.77	430.98	11.55	-65.22
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012844943	1	57	0.0	-77.02	431.32	11.61	-65.41
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012844944	0	52	0.0	-57.04	373.04	8.21	-48.83
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012844944	1	52	0.0	-73.41	376.63	9.09	-64.32
COCC(C)(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844945	0	51	0.0	-71.25	368.23	5.99	-65.26
COCC(C)(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844945	1	51	0.0	-83.07	368.58	5.80	-77.27
CCOCC(C(=O)[O-])N(C)C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300012844946	0	54	0.0	-74.87	389.20	7.55	-67.32
CCOCC(C(=O)[O-])N(C)C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300012844946	1	54	0.0	-72.39	397.26	8.09	-64.30
CC(C)CN(CC(=O)[O-])C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300012844947	0	53	0.0	-57.87	381.06	9.32	-48.55
CC(C)CN(CC(=O)[O-])C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300012844947	1	53	0.0	-52.84	372.19	9.68	-43.16
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300012844948	0	60	0.0	-57.81	423.23	11.42	-46.39
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300012844948	1	60	0.0	-60.09	427.39	12.54	-47.55
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012844949	0	50	0.0	-47.04	383.41	9.29	-37.75
CC(CC1CCCC[N@H+]1C)NC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012844949	1	50	0.0	-51.85	377.08	9.79	-42.06
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCOC1	REAL300012844950	0	49	0.0	-74.76	351.91	4.61	-70.15
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCOC1	REAL300012844950	1	49	0.0	-74.40	358.82	4.98	-69.42
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012844951	0	57	0.0	-78.04	408.62	8.93	-69.11
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012844951	1	57	0.0	-69.43	398.89	8.62	-60.81
CC(CC1CCCC[N@@H+]1C)NC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012844952	0	58	0.0	-76.48	415.64	9.00	-67.48
CC(CC1CCCC[N@H+]1C)NC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012844952	1	58	0.0	-71.90	422.04	9.39	-62.51
CC(CC1CCCC[N@@H+]1C)NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012844953	0	58	0.0	-40.93	423.55	12.28	-28.65
CC(CC1CCCC[N@H+]1C)NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012844953	1	58	0.0	-67.13	419.81	12.50	-54.63
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012844954	0	52	0.0	-77.98	367.15	5.87	-72.11
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012844954	1	52	0.0	-76.43	370.36	6.91	-69.52
C=CCCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844955	0	51	0.0	-67.43	380.15	7.67	-59.76
C=CCCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844955	1	51	0.0	-76.45	383.73	8.51	-67.94
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012844956	0	57	0.0	-57.06	409.92	11.71	-45.35
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012844956	1	57	0.0	-81.15	414.53	12.87	-68.28
CCC(CC)(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844957	0	53	0.0	-80.24	366.72	7.41	-72.83
CCC(CC)(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844957	1	53	0.0	-68.58	366.35	7.59	-60.99
COC1=CC=C(C(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012844958	0	55	0.0	-60.73	411.50	7.71	-53.02
COC1=CC=C(C(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012844958	1	55	0.0	-77.23	414.47	8.59	-68.64
CCC(C)N(CC(=O)[O-])C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300012844959	0	53	0.0	-59.77	377.57	9.36	-50.41
CCC(C)N(CC(=O)[O-])C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300012844959	1	53	0.0	-46.63	374.48	9.49	-37.14
CCC(COC)(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844960	0	54	0.0	-61.93	384.67	6.90	-55.03
CCC(COC)(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844960	1	54	0.0	-83.18	388.47	7.74	-75.44
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300012844961	0	57	0.0	-75.58	409.48	8.30	-67.28
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300012844961	1	57	0.0	-72.46	417.53	8.84	-63.62
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012844962	0	54	0.0	-83.95	392.25	4.36	-79.59
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012844962	1	54	0.0	-82.07	395.50	5.39	-76.68
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012844963	0	51	0.0	-72.46	373.97	9.07	-63.39
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012844963	1	51	0.0	-78.20	385.23	7.96	-70.24
COCCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844964	0	51	0.0	-58.69	379.28	5.46	-53.23
COCCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844964	1	51	0.0	-76.85	382.27	6.28	-70.57
CC(C)CC(C(=O)[O-])N(C)C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300012844965	0	56	0.0	-71.15	396.80	9.68	-61.47
CC(C)CC(C(=O)[O-])N(C)C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300012844965	1	56	0.0	-68.09	401.77	9.91	-58.18
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012844966	0	47	0.0	-67.50	358.19	6.63	-60.87
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012844966	1	47	0.0	-75.84	360.94	7.50	-68.34
CCCC1(C(=O)[O-])CCCN1C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300012844967	0	57	0.0	-80.53	402.56	11.57	-68.96
CCCC1(C(=O)[O-])CCCN1C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300012844967	1	57	0.0	-83.11	403.04	11.66	-71.45
CCCN(C(=O)NC(C)CC1CCCC[N@@H+]1C)C(C)C(=O)[O-]	REAL300012844968	0	53	0.0	-45.30	373.95	9.48	-35.82
CCCN(C(=O)NC(C)CC1CCCC[N@H+]1C)C(C)C(=O)[O-]	REAL300012844968	1	53	0.0	-65.29	374.85	8.87	-56.42
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012844969	0	57	0.0	-52.00	410.22	11.68	-40.32
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012844969	1	57	0.0	-60.72	411.12	11.93	-48.79
CCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012844970	0	57	0.0	-56.86	423.55	10.60	-46.26
CCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012844970	1	57	0.0	-74.71	423.86	10.41	-64.30
CCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012844971	0	57	0.0	-69.39	406.71	10.04	-59.35
CCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012844971	1	57	0.0	-79.85	410.26	10.90	-68.95
COC1CCCC(C(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])C1	REAL300012844972	0	61	0.0	-71.88	434.89	7.93	-63.95
COC1CCCC(C(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])C1	REAL300012844972	1	61	0.0	-66.54	429.27	7.77	-58.77
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CCF)C(=O)[O-]	REAL300012844973	0	47	0.0	-67.06	351.60	6.49	-60.57
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CCF)C(=O)[O-]	REAL300012844973	1	47	0.0	-75.62	356.02	7.33	-68.29
COC1(CC(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])CCC1	REAL300012844974	0	58	0.0	-67.61	407.36	8.72	-58.89
COC1(CC(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])CCC1	REAL300012844974	1	58	0.0	-72.34	414.20	8.34	-64.00
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012844975	0	55	0.0	-46.63	388.70	8.05	-38.58
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012844975	1	55	0.0	-62.64	391.26	8.87	-53.77
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012844976	0	57	0.0	-46.57	397.51	10.42	-36.15
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012844976	1	57	0.0	-54.70	396.32	11.13	-43.57
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012844977	0	57	0.0	-72.25	389.15	8.92	-63.33
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012844977	1	57	0.0	-77.40	392.74	9.77	-67.63
COC1=CC=CC(C(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])=C1	REAL300012844978	0	55	0.0	-78.46	415.10	8.56	-69.90
COC1=CC=CC(C(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])=C1	REAL300012844978	1	55	0.0	-78.03	414.84	8.63	-69.40
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012844979	0	50	0.0	-64.41	356.57	6.84	-57.57
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012844979	1	50	0.0	-75.47	356.93	6.65	-68.82
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012844980	0	52	0.0	-65.68	379.63	8.84	-56.84
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012844980	1	52	0.0	-86.64	385.69	9.17	-77.47
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012844981	0	48	0.0	-79.75	360.16	7.82	-71.93
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012844981	1	48	0.0	-75.33	363.39	8.85	-66.48
COC1=CC=CC([C@H](NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])=C1	REAL300012844982	0	55	0.0	-69.48	411.25	7.78	-61.70
COC1=CC=CC([C@H](NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])=C1	REAL300012844982	1	55	0.0	-79.98	414.85	8.63	-71.35
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC(C)CC2CCCC[N@@H+]2C)C1	REAL300012844983	0	57	0.0	-67.62	410.13	9.86	-57.76
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC(C)CC2CCCC[N@H+]2C)C1	REAL300012844983	1	57	0.0	-82.84	413.57	10.75	-72.09
COC1=CC=CC(CC(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])=C1	REAL300012844984	0	58	0.0	-59.02	433.47	8.72	-50.30
COC1=CC=CC(CC(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])=C1	REAL300012844984	1	58	0.0	-83.44	437.31	9.50	-73.94
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012844985	0	60	0.0	-61.08	403.28	9.42	-51.66
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012844985	1	60	0.0	-83.51	400.46	10.13	-73.38
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012844986	0	49	0.0	-73.33	351.85	8.86	-64.47
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012844986	1	49	0.0	-87.10	353.76	9.65	-77.45
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012844987	0	57	0.0	-67.17	424.09	10.06	-57.11
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012844987	1	57	0.0	-72.19	427.63	10.90	-61.29
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012844988	0	56	0.0	-67.26	414.35	11.06	-56.20
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012844988	1	56	0.0	-78.11	422.31	10.63	-67.48
COC1CN(C(=O)NC(C)CC2CCCC[N@@H+]2C)C(C)(C(=O)[O-])C1	REAL300012844989	0	55	0.0	-74.97	394.92	7.76	-67.21
COC1CN(C(=O)NC(C)CC2CCCC[N@H+]2C)C(C)(C(=O)[O-])C1	REAL300012844989	1	55	0.0	-79.87	397.28	8.69	-71.18
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012844990	0	58	0.0	-73.66	413.13	7.73	-65.93
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012844990	1	58	0.0	-76.90	420.81	8.02	-68.88
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012844991	0	53	0.0	-74.19	375.40	7.28	-66.91
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012844991	1	53	0.0	-77.78	379.55	8.38	-69.40
C=C(Cl)CC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844992	0	48	0.0	-68.10	375.06	7.39	-60.71
C=C(Cl)CC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844992	1	48	0.0	-77.22	377.86	8.28	-68.94
C=C(C)CC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012844993	0	51	0.0	-68.15	379.70	7.52	-60.63
C=C(C)CC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012844993	1	51	0.0	-74.08	379.93	8.72	-65.36
CC(CC1CCCC[N@@H+]1C)NC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012844994	0	52	0.0	-90.00	369.96	10.56	-79.44
CC(CC1CCCC[N@H+]1C)NC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012844994	1	52	0.0	-90.34	370.19	10.57	-79.77
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012844995	0	57	0.0	-67.90	413.77	9.60	-58.30
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012844995	1	57	0.0	-72.77	417.31	10.45	-62.32
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012844996	0	48	0.0	-74.53	362.06	8.88	-65.65
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012844996	1	48	0.0	-58.74	358.48	8.02	-50.72
CC(CC1CCCC[N@@H+]1C)NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012844997	0	48	0.0	-72.31	351.98	7.93	-64.38
CC(CC1CCCC[N@H+]1C)NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012844997	1	48	0.0	-80.56	358.40	8.45	-72.11
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC(C)CC2CCCC[N@@H+]2C)C1	REAL300012844998	0	49	0.0	-82.10	359.16	8.13	-73.97
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC(C)CC2CCCC[N@H+]2C)C1	REAL300012844998	1	49	0.0	-84.40	362.43	9.17	-75.23
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012844999	0	58	0.0	-69.40	413.07	7.80	-61.60
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012844999	1	58	0.0	-75.52	424.56	7.34	-68.18
CC(C)C[C@H](NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845000	0	53	0.0	-68.05	383.71	7.71	-60.34
CC(C)C[C@H](NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845000	1	53	0.0	-77.52	388.12	8.49	-69.03
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012845001	0	55	0.0	-62.11	390.32	6.13	-55.98
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012845001	1	55	0.0	-76.48	393.35	7.05	-69.43
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012845002	0	51	0.0	-67.61	381.75	8.49	-59.12
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012845002	1	51	0.0	-59.78	381.36	8.44	-51.34
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012845003	0	51	0.0	-72.46	373.97	9.07	-63.39
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012845003	1	51	0.0	-78.20	385.23	7.96	-70.24
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012845004	0	50	0.0	-66.07	390.80	6.51	-59.56
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012845004	1	50	0.0	-75.49	391.37	6.29	-69.20
CC(C)CCCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845005	0	59	0.0	-68.15	427.91	9.18	-58.97
CC(C)CCCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845005	1	59	0.0	-77.10	431.49	10.01	-67.09
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012845006	0	57	0.0	-58.33	433.90	9.81	-48.52
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012845006	1	57	0.0	-73.86	437.73	10.61	-63.25
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012845007	0	55	0.0	-78.15	400.09	7.09	-71.06
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012845007	1	55	0.0	-63.40	401.93	6.68	-56.72
CSCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845008	0	48	0.0	-56.64	369.30	6.75	-49.89
CSCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845008	1	48	0.0	-74.25	372.90	7.59	-66.66
COC[C@H](NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845009	0	48	0.0	-75.01	357.58	4.38	-70.63
COC[C@H](NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845009	1	48	0.0	-78.04	360.80	5.43	-72.61
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012845010	0	54	0.0	-58.26	410.34	9.50	-48.76
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012845010	1	54	0.0	-73.27	413.98	10.34	-62.93
CCC(C)CC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845011	0	56	0.0	-58.48	402.53	8.35	-50.13
CCC(C)CC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845011	1	56	0.0	-78.03	405.89	9.15	-68.88
C=CCCCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845012	0	54	0.0	-67.48	401.65	8.45	-59.03
C=CCCCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845012	1	54	0.0	-76.55	405.23	9.29	-67.26
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012845013	0	54	0.0	-66.86	410.63	9.41	-57.45
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012845013	1	54	0.0	-73.49	417.06	9.62	-63.87
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012845014	0	57	0.0	-79.58	426.25	11.41	-68.17
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012845014	1	57	0.0	-82.61	429.84	10.76	-71.85
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCSCC1C(=O)[O-]	REAL300012845015	0	49	0.0	-88.23	356.30	9.36	-78.87
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCSCC1C(=O)[O-]	REAL300012845015	1	49	0.0	-85.25	362.91	9.56	-75.69
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012845016	0	54	0.0	-59.43	389.81	9.19	-50.24
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012845016	1	54	0.0	-79.74	397.06	9.37	-70.37
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012845017	0	52	0.0	-74.52	365.72	9.74	-64.78
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012845017	1	52	0.0	-91.13	373.61	10.00	-81.13
CCN(C(=O)NC(C)CC1CCCC[N@@H+]1C)C(C)(C)C(=O)[O-]	REAL300012845018	0	53	0.0	-70.48	370.53	9.11	-61.37
CCN(C(=O)NC(C)CC1CCCC[N@H+]1C)C(C)(C)C(=O)[O-]	REAL300012845018	1	53	0.0	-81.25	365.77	9.73	-71.52
CCCN(C(=O)NC(C)CC1CCCC[N@@H+]1C)C(C)C(=O)[O-]	REAL300012845019	0	53	0.0	-45.30	373.95	9.48	-35.82
CCCN(C(=O)NC(C)CC1CCCC[N@H+]1C)C(C)C(=O)[O-]	REAL300012845019	1	53	0.0	-65.29	374.85	8.87	-56.42
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012845020	0	47	0.0	-56.32	358.39	8.64	-47.68
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012845020	1	47	0.0	-69.63	361.01	9.45	-60.18
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012845021	0	47	0.0	-56.32	358.39	8.64	-47.68
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012845021	1	47	0.0	-69.63	361.01	9.45	-60.18
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012845022	0	60	0.0	-63.35	427.26	6.21	-57.14
CC(CC1CCCC[N@H+]1C)NC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012845022	1	60	0.0	-48.12	432.10	6.63	-41.49
CC(CC1CCCC[N@@H+]1C)NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012845023	0	49	0.0	-65.49	356.60	4.55	-60.94
CC(CC1CCCC[N@H+]1C)NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012845023	1	49	0.0	-83.60	361.54	5.29	-78.31
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012845024	1	64	0.0	-62.99	457.68	6.32	-56.67
CC(CC1CCCC[N@H+]1C)NC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012845024	1	64	0.0	-47.83	457.29	6.50	-41.33
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300012845025	0	55	0.0	-59.42	406.59	11.28	-48.14
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300012845025	1	55	0.0	-84.47	399.72	12.80	-71.67
CC(CC1CCCC[N@@H+]1C)NC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012845026	0	58	0.0	-67.17	415.18	11.55	-55.62
CC(CC1CCCC[N@H+]1C)NC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012845026	1	58	0.0	-53.79	402.94	12.33	-41.46
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012845027	0	56	0.0	-69.01	401.79	9.38	-59.63
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012845027	1	56	0.0	-77.90	408.70	9.74	-68.16
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012845028	0	51	0.0	-60.84	382.00	8.40	-52.44
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012845028	1	51	0.0	-75.94	385.58	9.27	-66.67
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012845029	0	56	0.0	-60.41	421.89	8.42	-51.99
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012845029	1	56	0.0	-79.95	429.40	8.56	-71.39
C=CCCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845030	0	51	0.0	-67.43	380.15	7.67	-59.76
C=CCCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845030	1	51	0.0	-76.45	383.73	8.51	-67.94
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012845031	0	50	0.0	-65.48	390.81	6.41	-59.07
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012845031	1	50	0.0	-77.35	394.37	7.20	-70.15
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012845032	0	51	0.0	-64.90	410.31	8.16	-56.74
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012845032	1	51	0.0	-56.08	410.29	8.16	-47.92
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012845033	0	51	0.0	-97.20	375.18	5.64	-91.56
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012845033	1	51	0.0	-96.08	382.28	6.03	-90.05
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012845034	0	52	0.0	-64.19	372.43	7.51	-56.68
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012845034	1	52	0.0	-77.12	378.93	7.45	-69.67
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012845035	0	51	0.0	-80.74	357.00	9.99	-70.75
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012845035	1	51	0.0	-81.18	362.09	8.61	-72.57
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012845036	0	51	0.0	-75.65	381.74	8.26	-67.39
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012845036	1	51	0.0	-78.02	385.56	9.26	-68.76
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012845037	0	54	0.0	-68.09	395.69	7.78	-60.31
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012845037	1	54	0.0	-77.83	399.41	8.62	-69.21
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012845038	0	54	0.0	-46.33	380.12	9.72	-36.61
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012845038	1	54	0.0	-62.02	382.81	10.55	-51.47
CC[C@H](C)[C@H](NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845039	0	53	0.0	-68.79	377.08	7.29	-61.50
CC[C@H](C)[C@H](NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845039	1	53	0.0	-74.32	383.63	7.52	-66.80
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012845040	0	52	0.0	-89.43	377.72	4.03	-85.40
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012845040	1	52	0.0	-83.57	386.43	4.50	-79.07
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012845041	0	60	0.0	-69.91	428.54	7.67	-62.24
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012845041	1	60	0.0	-76.21	436.53	7.82	-68.39
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012845042	0	54	0.0	-83.41	382.29	7.83	-75.58
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012845042	1	54	0.0	-77.56	384.60	8.95	-68.61
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012845043	0	57	0.0	-83.93	391.70	8.62	-75.31
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012845043	1	57	0.0	-77.59	394.94	9.67	-67.92
COCCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845044	0	51	0.0	-58.69	379.28	5.46	-53.23
COCCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845044	1	51	0.0	-76.85	382.27	6.28	-70.57
CC(CC1CCCC[N@@H+]1C)NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012845045	0	57	0.0	-72.50	415.14	11.28	-61.22
CC(CC1CCCC[N@H+]1C)NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012845045	1	57	0.0	-73.51	420.92	11.48	-62.03
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012845046	0	54	0.0	-81.48	383.53	8.54	-72.94
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012845046	1	54	0.0	-84.63	390.31	8.93	-75.70
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012845047	0	61	0.0	-84.57	431.19	10.57	-74.00
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012845047	1	61	0.0	-80.78	437.21	10.89	-69.89
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012845048	0	51	0.0	-75.15	374.52	7.37	-67.78
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012845048	1	51	0.0	-78.46	381.75	7.72	-70.74
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012845049	0	60	0.0	-60.62	430.19	7.55	-53.07
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012845049	1	60	0.0	-79.03	435.62	7.86	-71.17
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012845050	0	49	0.0	-86.24	362.97	4.76	-81.48
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012845050	1	49	0.0	-80.33	356.59	4.73	-75.60
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012845051	0	59	0.0	-51.89	424.24	11.98	-39.91
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012845051	1	59	0.0	-65.75	430.74	12.05	-53.70
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012845052	0	52	0.0	-59.48	372.53	5.36	-54.12
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012845052	1	52	0.0	-61.53	372.71	5.32	-56.21
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012845053	0	52	0.0	-86.74	367.15	9.19	-77.55
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012845053	1	52	0.0	-88.25	370.32	10.23	-78.02
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012845054	0	55	0.0	-82.31	417.12	9.34	-72.97
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012845054	1	55	0.0	-83.00	421.16	8.73	-74.27
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012845055	0	50	0.0	-85.46	359.20	6.95	-78.51
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012845055	1	50	0.0	-85.46	365.73	7.18	-78.28
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012845056	0	54	0.0	-68.21	376.20	9.90	-58.31
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012845056	1	54	0.0	-84.42	379.71	10.73	-73.69
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012845057	0	57	0.0	-60.16	421.01	9.76	-50.40
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012845057	1	57	0.0	-74.07	422.87	10.48	-63.59
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012845058	0	58	0.0	-74.57	414.29	9.96	-64.61
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012845058	1	58	0.0	-79.05	414.52	10.86	-68.19
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1CCC1	REAL300012845059	0	51	0.0	-69.15	366.51	7.23	-61.92
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1CCC1	REAL300012845059	1	51	0.0	-73.88	377.47	7.52	-66.36
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012845060	0	64	0.0	-82.83	438.92	8.89	-73.94
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012845060	1	64	0.0	-75.85	442.63	9.94	-65.91
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012845061	0	57	0.0	-78.04	408.62	8.93	-69.11
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012845061	1	57	0.0	-69.43	398.89	8.62	-60.81
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1CCC1	REAL300012845062	0	51	0.0	-69.15	366.51	7.23	-61.92
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1CCC1	REAL300012845062	1	51	0.0	-73.88	377.47	7.52	-66.36
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012845063	0	51	0.0	-82.79	361.09	8.24	-74.55
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012845063	1	51	0.0	-85.50	369.64	9.37	-76.13
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012845064	0	58	0.0	-82.99	420.43	7.33	-75.66
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012845064	1	58	0.0	-81.34	423.66	8.37	-72.97
CC(CC1CCCC[N@@H+]1C)NC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012845065	0	58	0.0	-59.70	406.39	10.26	-49.44
CC(CC1CCCC[N@H+]1C)NC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012845065	1	58	0.0	-52.72	391.70	10.07	-42.65
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012845066	0	58	0.0	-60.50	395.87	7.35	-53.15
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012845066	1	58	0.0	-79.86	402.66	7.48	-72.38
CC1=CC=CC2=C1CCN(C(=O)NC(C)CC1CCCC[N@@H+]1C)C2C(=O)[O-]	REAL300012845067	0	58	0.0	-95.46	409.00	11.60	-83.86
CC1=CC=CC2=C1CCN(C(=O)NC(C)CC1CCCC[N@H+]1C)C2C(=O)[O-]	REAL300012845067	1	58	0.0	-95.77	416.55	12.06	-83.71
CC(CC1CCCC[N@@H+]1C)NC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012845068	0	52	0.0	-57.69	367.61	9.07	-48.62
CC(CC1CCCC[N@H+]1C)NC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012845068	1	52	0.0	-29.55	348.90	10.15	-19.40
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012845069	0	58	0.0	-74.57	414.29	9.96	-64.61
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012845069	1	58	0.0	-79.05	414.52	10.86	-68.19
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012845070	0	54	0.0	-57.52	410.62	9.41	-48.11
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012845070	1	54	0.0	-81.50	414.21	10.28	-71.22
COC1CC(NC(=O)NC(C)CC2CCCC[N@@H+]2C)(C(=O)[O-])C1	REAL300012845071	0	52	0.0	-78.04	379.42	6.10	-71.94
COC1CC(NC(=O)NC(C)CC2CCCC[N@H+]2C)(C(=O)[O-])C1	REAL300012845071	1	52	0.0	-76.43	378.79	5.72	-70.71
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012845072	0	48	0.0	-81.99	356.02	6.86	-75.13
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012845072	1	48	0.0	-81.49	362.94	7.23	-74.26
CO[C@H]1C[C@](NC(=O)NC(C)CC2CCCC[N@@H+]2C)(C(=O)[O-])C1	REAL300012845073	0	52	0.0	-58.37	378.42	5.91	-52.46
CO[C@H]1C[C@](NC(=O)NC(C)CC2CCCC[N@H+]2C)(C(=O)[O-])C1	REAL300012845073	1	52	0.0	-79.57	382.58	7.16	-72.41
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012845074	0	51	0.0	-74.03	386.47	7.62	-66.41
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012845074	1	51	0.0	-70.22	393.97	7.85	-62.37
CCC1(C(=O)[O-])CCCN1C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300012845075	0	54	0.0	-80.33	381.02	10.83	-69.50
CCC1(C(=O)[O-])CCCN1C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300012845075	1	54	0.0	-82.82	381.55	10.90	-71.92
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012845076	0	47	0.0	-60.96	360.95	7.07	-53.89
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012845076	1	47	0.0	-68.79	365.36	7.89	-60.90
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012845077	0	55	0.0	-73.34	397.29	6.82	-66.52
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012845077	1	55	0.0	-73.53	407.09	6.64	-66.89
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012845078	0	51	0.0	-69.01	396.15	8.40	-60.61
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012845078	1	51	0.0	-78.50	398.84	9.29	-69.21
COCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012845079	0	58	0.0	-67.09	422.80	8.37	-58.72
COCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300012845079	1	58	0.0	-77.79	426.36	9.23	-68.56
CC(C)C(C)(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845080	0	53	0.0	-67.98	366.70	7.39	-60.59
CC(C)C(C)(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845080	1	53	0.0	-77.84	368.49	8.19	-69.65
CC(CC1CCCC[N@@H+]1C)NC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012845081	0	49	0.0	-88.79	351.10	9.18	-79.61
CC(CC1CCCC[N@H+]1C)NC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012845081	1	49	0.0	-89.00	359.09	9.58	-79.42
CC(CC1CCCC[N@@H+]1C)NC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012845082	0	52	0.0	-64.88	367.99	9.04	-55.84
CC(CC1CCCC[N@H+]1C)NC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012845082	1	52	0.0	-83.77	368.21	8.82	-74.95
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012845083	0	57	0.0	-52.00	410.22	11.68	-40.32
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012845083	1	57	0.0	-60.72	411.12	11.93	-48.79
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012845084	0	60	0.0	-70.61	420.06	10.60	-60.01
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012845084	1	60	0.0	-78.26	429.76	10.40	-67.86
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012845085	0	57	0.0	-74.98	426.78	9.97	-65.01
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012845085	1	57	0.0	-77.58	430.00	11.00	-66.58
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012845086	0	57	0.0	-59.60	427.01	10.19	-49.41
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012845086	1	57	0.0	-74.62	430.59	11.04	-63.58
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012845087	0	58	0.0	-75.33	403.72	8.56	-66.77
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012845087	1	58	0.0	-81.24	411.45	9.06	-72.18
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012845088	0	60	0.0	-58.83	425.93	9.60	-49.23
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012845088	1	60	0.0	-80.31	430.84	9.38	-70.93
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012845089	0	60	0.0	-74.40	425.71	9.37	-65.03
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012845089	1	60	0.0	-74.10	432.61	9.75	-64.35
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012845090	0	58	0.0	-48.89	414.55	10.38	-38.51
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012845090	1	58	0.0	-54.24	406.36	10.21	-44.03
CC(CC1CCCC[N@@H+]1C)NC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012845091	0	58	0.0	-88.92	402.51	9.83	-79.09
CC(CC1CCCC[N@H+]1C)NC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012845091	1	58	0.0	-84.49	402.52	9.83	-74.66
COC1=CC=C(CC(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012845092	0	58	0.0	-59.65	433.42	8.73	-50.92
COC1=CC=C(CC(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012845092	1	58	0.0	-76.91	437.34	9.49	-67.42
C=CCSCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845093	0	52	0.0	-63.79	402.92	8.24	-55.55
C=CCSCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845093	1	52	0.0	-71.95	407.40	8.99	-62.96
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012845094	0	55	0.0	-60.15	425.00	9.74	-50.41
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012845094	1	55	0.0	-77.73	428.65	10.59	-67.14
CCC(C(=O)[O-])N(CC)C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300012845095	0	53	0.0	-58.97	371.83	9.77	-49.20
CCC(C(=O)[O-])N(CC)C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300012845095	1	53	0.0	-66.24	370.03	9.04	-57.20
COC1(C(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])CCC1	REAL300012845096	0	55	0.0	-61.22	394.33	6.12	-55.10
COC1(C(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])CCC1	REAL300012845096	1	55	0.0	-78.42	400.61	7.33	-71.09
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012845097	0	57	0.0	-57.86	406.96	9.34	-48.52
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012845097	1	57	0.0	-79.72	414.23	9.53	-70.19
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012845098	0	58	0.0	-70.44	413.30	10.47	-59.97
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012845098	1	58	0.0	-81.97	416.91	11.33	-70.64
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012845099	0	51	0.0	-86.10	379.49	7.64	-78.46
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012845099	1	51	0.0	-78.79	388.16	8.13	-70.66
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012845101	0	63	0.0	-59.78	457.97	10.81	-48.97
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012845101	1	63	0.0	-77.21	461.17	11.63	-65.58
CC(C)C1=CC=C(C(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012845102	0	60	0.0	-60.44	442.24	10.34	-50.10
CC(C)C1=CC=C(C(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012845102	1	60	0.0	-78.59	442.56	10.14	-68.45
CC(CC1CCCC[N@@H+]1C)NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012845103	0	48	0.0	-72.31	351.98	7.93	-64.38
CC(CC1CCCC[N@H+]1C)NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012845103	1	48	0.0	-80.56	358.40	8.45	-72.11
CC(CC1CCCC[N@@H+]1C)NC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012845104	0	50	0.0	-55.05	360.26	9.06	-45.99
CC(CC1CCCC[N@H+]1C)NC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012845104	1	50	0.0	-48.95	368.38	9.11	-39.84
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012845105	0	54	0.0	-73.73	376.93	9.19	-64.54
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012845105	1	54	0.0	-85.03	380.76	10.05	-74.98
CCOC1=CC=C(C(NC(=O)NC(C)CC2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300012845106	0	58	0.0	-67.45	433.35	8.63	-58.82
CCOC1=CC=C(C(NC(=O)NC(C)CC2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300012845106	1	58	0.0	-78.56	433.68	8.44	-70.12
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012845107	0	58	0.0	-76.11	393.88	11.85	-64.26
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012845107	1	58	0.0	-60.36	402.75	9.87	-50.49
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012845108	0	58	0.0	-80.46	423.02	10.09	-70.37
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012845108	1	58	0.0	-80.71	423.11	10.16	-70.55
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012845109	0	58	0.0	-63.00	424.44	9.44	-53.56
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012845109	1	58	0.0	-79.79	428.02	10.31	-69.48
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012845110	0	54	0.0	-71.30	412.85	9.42	-61.88
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012845110	1	54	0.0	-74.12	414.26	10.43	-63.69
CC(C)CCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845111	0	56	0.0	-67.83	405.58	8.42	-59.41
CC(C)CCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845111	1	56	0.0	-77.34	409.99	9.24	-68.10
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012845112	0	55	0.0	-42.57	388.92	9.64	-32.93
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012845112	1	55	0.0	-30.97	374.25	10.56	-20.41
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012845113	0	55	0.0	-73.34	397.29	6.82	-66.52
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012845113	1	55	0.0	-73.53	407.09	6.64	-66.89
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC(C)CC2CCCC[N@@H+]2C)C1	REAL300012845114	0	52	0.0	-80.98	388.07	9.21	-71.77
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC(C)CC2CCCC[N@H+]2C)C1	REAL300012845114	1	52	0.0	-82.00	392.56	10.06	-71.94
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012845115	0	55	0.0	-82.84	383.82	8.68	-74.16
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012845115	1	55	0.0	-74.25	381.20	9.18	-65.07
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012845116	0	52	0.0	-83.41	370.20	7.91	-75.50
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012845116	1	52	0.0	-85.11	375.37	8.52	-76.59
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012845117	0	55	0.0	-81.39	396.24	8.70	-72.69
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012845117	1	55	0.0	-83.33	399.27	9.76	-73.57
CC(CC1CCCC[N@@H+]1C)NC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012845118	0	57	0.0	-78.79	412.75	11.14	-67.65
CC(CC1CCCC[N@H+]1C)NC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012845118	1	57	0.0	-72.70	418.38	12.26	-60.44
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012845119	0	61	0.0	-50.86	419.08	10.15	-40.71
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012845119	1	61	0.0	-59.85	425.14	11.53	-48.32
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012845120	0	54	0.0	-75.85	389.09	8.02	-67.83
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012845120	1	54	0.0	-69.15	382.10	7.85	-61.30
CO[C@H](C)[C@H](NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845121	0	51	0.0	-69.60	375.85	5.58	-64.02
CO[C@H](C)[C@H](NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845121	1	51	0.0	-79.51	376.20	5.39	-74.12
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012845122	0	51	0.0	-64.29	368.82	8.06	-56.23
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012845122	1	51	0.0	-71.85	368.85	8.07	-63.78
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012845123	0	54	0.0	-47.62	402.72	11.16	-36.46
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012845123	1	54	0.0	-63.08	405.39	11.97	-51.11
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012845124	0	54	0.0	-57.80	384.79	8.83	-48.97
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012845124	1	54	0.0	-60.17	388.91	9.86	-50.31
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012845125	0	55	0.0	-82.79	403.70	11.16	-71.63
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012845125	1	55	0.0	-83.22	411.24	11.62	-71.60
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012845126	0	51	0.0	-85.45	366.93	9.24	-76.21
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012845126	1	51	0.0	-86.61	374.72	9.76	-76.85
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012845127	0	48	0.0	-73.58	358.27	7.94	-65.64
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012845127	1	48	0.0	-81.61	359.54	9.04	-72.57
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012845128	0	54	0.0	-57.52	410.62	9.41	-48.11
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012845128	1	54	0.0	-81.50	414.21	10.28	-71.22
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012845129	0	51	0.0	-68.06	394.84	8.32	-59.74
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012845129	1	51	0.0	-74.42	402.38	8.47	-65.95
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012845130	0	51	0.0	-79.13	374.54	8.81	-70.32
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012845130	1	51	0.0	-78.38	380.25	9.23	-69.15
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012845131	0	55	0.0	-84.09	409.38	8.88	-75.21
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012845131	1	55	0.0	-83.65	416.25	9.26	-74.39
CC(CC1CCCC[N@@H+]1C)NC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012845132	0	59	0.0	-68.93	428.54	11.91	-57.02
CC(CC1CCCC[N@H+]1C)NC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012845132	1	59	0.0	-61.72	432.85	10.71	-51.01
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012845133	0	51	0.0	-68.06	394.84	8.32	-59.74
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012845133	1	51	0.0	-74.42	402.38	8.47	-65.95
CC(CC1CCCC[N@@H+]1C)NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012845134	0	55	0.0	-84.74	389.28	9.51	-75.23
CC(CC1CCCC[N@H+]1C)NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012845134	1	55	0.0	-88.29	390.48	9.49	-78.80
COCCCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845135	0	54	0.0	-66.14	400.18	6.19	-59.95
COCCCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845135	1	54	0.0	-76.18	404.59	7.02	-69.16
CCCC(C(=O)[O-])N(C)C(=O)NC(C)CC1CCCC[N@@H+]1C	REAL300012845136	0	53	0.0	-73.99	379.19	9.06	-64.93
CCCC(C(=O)[O-])N(C)C(=O)NC(C)CC1CCCC[N@H+]1C	REAL300012845136	1	53	0.0	-72.55	385.78	9.27	-63.28
CCOCC(NC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300012845137	0	51	0.0	-69.68	379.07	5.55	-64.13
CCOCC(NC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300012845137	1	51	0.0	-75.30	383.00	6.45	-68.85
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012845138	0	56	0.0	-69.22	396.68	8.74	-60.48
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012845138	1	56	0.0	-78.04	399.06	9.53	-68.51
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012845139	0	55	0.0	-81.79	396.70	6.29	-75.50
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012845139	1	55	0.0	-80.18	401.85	6.69	-73.49
CC(CC1CCCC[N@@H+]1C)NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012845140	0	55	0.0	-60.13	399.98	9.58	-50.55
CC(CC1CCCC[N@H+]1C)NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012845140	1	55	0.0	-76.73	403.55	10.45	-66.28
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012845141	0	52	0.0	-79.36	380.40	6.84	-72.52
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012845141	1	52	0.0	-84.73	366.82	7.39	-77.34
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012845142	0	54	0.0	-80.67	387.64	9.03	-71.64
CC(CC1CCCC[N@H+]1C)NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012845142	1	54	0.0	-79.92	394.27	9.38	-70.54
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CCC#N)C(=O)[O-]	REAL300012845143	0	48	0.0	-59.88	366.45	6.90	-52.98
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CCC#N)C(=O)[O-]	REAL300012845143	1	48	0.0	-77.42	369.45	7.71	-69.71
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012845144	0	65	0.0	-62.83	438.40	10.44	-52.39
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012845144	1	65	0.0	-83.07	441.98	11.30	-71.77
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012845145	0	57	0.0	-63.08	433.94	9.66	-53.42
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012845145	1	57	0.0	-78.55	437.52	10.52	-68.03
CC(CC1CCCC[N@@H+]1C)NC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012845146	0	51	0.0	-63.67	379.20	8.86	-54.81
CC(CC1CCCC[N@H+]1C)NC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012845146	1	51	0.0	-48.68	384.42	9.30	-39.38
CC(CC1CCCC[N@@H+]1C)NC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012845147	0	62	0.0	-61.36	428.58	8.55	-52.81
CC(CC1CCCC[N@H+]1C)NC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012845147	1	62	0.0	-86.66	424.26	10.06	-76.60
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012845148	0	53	0.0	-63.54	415.77	8.03	-55.51
CC(CC1CCCC[N@H+]1C)NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012845148	1	53	0.0	-80.16	423.17	8.25	-71.91
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC(C)CC2CCCC[N@@H+]2C)C1	REAL300012845149	0	55	0.0	-72.25	399.67	8.21	-64.04
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC(C)CC2CCCC[N@H+]2C)C1	REAL300012845149	1	55	0.0	-80.40	402.53	9.13	-71.27
CC1=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=CS1	REAL300012845751	0	50	0.0	-61.66	400.80	7.11	-54.55
CCOC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012846010	0	56	0.0	-63.16	440.08	5.03	-58.13
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC=C2C2CC2)CC1	REAL300012846532	0	57	0.0	-63.60	436.57	9.51	-54.09
CSC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300012846841	0	51	0.0	-62.27	424.70	7.74	-54.53
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC23CCC3)CC1	REAL300012847058	0	54	0.0	-61.86	411.88	7.92	-53.94
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CON=C2C(F)(F)F)CC1	REAL300012847464	0	49	0.0	-69.87	404.45	5.93	-63.94
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CN=CS2)CC1	REAL300012847681	0	46	0.0	-63.74	375.93	4.66	-59.08
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC(C(F)(F)F)=NO2)CC1	REAL300012847941	0	49	0.0	-60.68	407.43	5.94	-54.74
C[C@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300012848200	0	53	0.0	-62.08	415.12	8.32	-53.76
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2=CSC=C2)CC1	REAL300012848445	0	53	0.0	-59.13	418.95	7.66	-51.47
COC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCCOC1	REAL300012848744	0	61	0.0	-58.45	448.38	4.98	-53.47
COC1CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012849963	0	54	0.0	-62.07	412.97	5.42	-56.65
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC(F)=C(F)C(F)=C2)CC1	REAL300012850230	0	50	0.0	-62.34	410.19	7.59	-54.75
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C2(O)CCCCC2)CC1	REAL300012850699	0	66	0.0	-62.65	460.73	6.53	-56.12
COCC(CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C(C)C	REAL300012851137	0	62	0.0	-58.42	448.67	6.74	-51.68
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCSCC2)CC1	REAL300012851422	0	57	0.0	-63.39	424.77	8.11	-55.28
CSC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])O1	REAL300012851965	0	51	0.0	-62.29	416.43	6.75	-55.54
CO[C@@H]1C[C@@H](CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300012852087	0	58	0.0	-69.48	445.05	8.43	-61.05
CO[C@@H]1C[C@@H](CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300012852087	1	58	0.0	-66.08	442.90	7.76	-58.32
C=CCOCC(NC(=O)NC[C@@H]1C[C@@H](OC)C[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012852088	0	57	0.0	-70.71	453.61	6.85	-63.86
C=CCOCC(NC(=O)NC[C@@H]1C[C@@H](OC)C[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012852088	1	57	0.0	-68.44	450.67	6.30	-62.14
C=CC(C)C(NC(=O)NC[C@@H]1C[C@@H](OC)C[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012852089	0	56	0.0	-70.24	437.07	7.82	-62.42
C=CC(C)C(NC(=O)NC[C@@H]1C[C@@H](OC)C[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012852089	1	56	0.0	-67.03	430.18	7.30	-59.73
CO[C@@H]1C[C@@H](CNC(=O)N2CCC(C)CC2C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300012852090	0	59	0.0	-76.69	435.26	10.45	-66.24
CO[C@@H]1C[C@@H](CNC(=O)N2CCC(C)CC2C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300012852090	1	59	0.0	-72.47	427.65	9.75	-62.72
CCCN(CC(=O)[O-])C(=O)NC[C@@H]1C[C@@H](OC)C[N@@H+]1CC1=CC=CC=C1	REAL300012852091	0	55	0.0	-53.12	423.63	9.02	-44.10
CCCN(CC(=O)[O-])C(=O)NC[C@@H]1C[C@@H](OC)C[N@H+]1CC1=CC=CC=C1	REAL300012852091	1	55	0.0	-52.39	425.54	9.58	-42.81
CO[C@@H]1C[C@@H](CNC(=O)N(C(C)C(=O)[O-])C2CCC2)[N@H+](CC2=CC=CC=C2)C1	REAL300012852092	0	59	0.0	-46.78	440.26	10.78	-36.00
CO[C@@H]1C[C@@H](CNC(=O)N(C(C)C(=O)[O-])C2CCC2)[N@@H+](CC2=CC=CC=C2)C1	REAL300012852092	1	59	0.0	-57.30	435.32	9.26	-48.04
CCCN(C(=O)NC[C@@H]1C[C@@H](OC)C[N@@H+]1CC1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012852093	0	61	0.0	-47.14	454.33	10.97	-36.17
CCCN(C(=O)NC[C@@H]1C[C@@H](OC)C[N@H+]1CC1=CC=CC=C1)C(CC)C(=O)[O-]	REAL300012852093	1	61	0.0	-47.55	455.39	11.19	-36.36
CO[C@@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C(C)C)[N@H+](CC2=CC=CC=C2)C1	REAL300012852094	0	55	0.0	-70.26	424.03	7.65	-62.61
CO[C@@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C(C)C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012852094	1	55	0.0	-66.14	416.65	6.75	-59.39
CO[C@@H]1C[C@@H](CNC(=O)N2CCCCC2C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300012852095	0	56	0.0	-76.58	414.42	9.85	-66.73
CO[C@@H]1C[C@@H](CNC(=O)N2CCCCC2C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300012852095	1	56	0.0	-72.17	413.50	9.39	-62.78
CO[C@@H]1C[C@@H](CNC(=O)N2CCSCC2C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300012852096	0	54	0.0	-76.64	415.61	10.02	-66.62
CO[C@@H]1C[C@@H](CNC(=O)N2CCSCC2C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300012852096	1	54	0.0	-70.49	413.47	9.35	-61.14
CO[C@@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)[N@H+](CC2=CC=CC=C2)C1	REAL300012852097	0	59	0.0	-71.06	436.52	9.28	-61.78
CO[C@@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)[N@@H+](CC2=CC=CC=C2)C1	REAL300012852097	1	59	0.0	-68.90	433.72	8.66	-60.24
CO[C@@H]1C[C@@H](CNC(=O)N2CCCC2C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300012852098	0	53	0.0	-75.52	404.68	8.93	-66.59
CO[C@@H]1C[C@@H](CNC(=O)N2CCCC2C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300012852098	1	53	0.0	-70.54	402.80	8.35	-62.19
CO[C@@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCCC2)[N@H+](CC2=CC=CC=C2)C1	REAL300012852099	0	56	0.0	-72.68	426.10	8.01	-64.67
CO[C@@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCCC2)[N@@H+](CC2=CC=CC=C2)C1	REAL300012852099	1	56	0.0	-68.80	419.04	7.55	-61.25
CO[C@@H]1C[C@@H](CNC(=O)NCC(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300012852100	0	46	0.0	-61.16	368.46	5.02	-56.14
CO[C@@H]1C[C@@H](CNC(=O)NCC(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300012852100	1	46	0.0	-58.73	361.26	4.59	-54.14
CO[C@@H]1C[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[N@H+](CC2=CC=CC=C2)C1	REAL300012852101	0	56	0.0	-69.03	443.17	9.14	-59.89
CO[C@@H]1C[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)[N@@H+](CC2=CC=CC=C2)C1	REAL300012852101	1	56	0.0	-67.43	440.13	8.49	-58.94
CO[C@@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[N@H+](CC2=CC=CC=C2)C1	REAL300012852102	0	56	0.0	-69.96	443.12	9.13	-60.83
CO[C@@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)[N@@H+](CC2=CC=CC=C2)C1	REAL300012852102	1	56	0.0	-66.82	440.33	8.53	-58.29
CCC(NC(=O)NC[C@@H]1C[C@@H](OC)C[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012852103	0	52	0.0	-65.95	403.95	6.44	-59.51
CCC(NC(=O)NC[C@@H]1C[C@@H](OC)C[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012852103	1	52	0.0	-69.33	411.39	6.99	-62.34
CO[C@@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C(C)C)[N@H+](CC2=CC=CC=C2)C1	REAL300012852104	0	55	0.0	-70.26	424.03	7.65	-62.61
CO[C@@H]1C[C@@H](CNC(=O)NC(C(=O)[O-])C(C)C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012852104	1	55	0.0	-66.14	416.65	6.75	-59.39
CO[C@@H]1C[C@@H](CNC(=O)N(C)CC(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300012852105	0	49	0.0	-69.14	387.75	7.75	-61.39
CO[C@@H]1C[C@@H](CNC(=O)N(C)CC(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300012852105	1	49	0.0	-65.90	380.07	7.24	-58.66
CO[C@@H]1C[C@@H](CNC(=O)NC(C)C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300012852106	0	49	0.0	-60.07	384.99	6.07	-54.00
CO[C@@H]1C[C@@H](CNC(=O)NC(C)C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300012852106	1	49	0.0	-59.37	382.12	5.41	-53.96
CCC(C)C(NC(=O)NC[C@@H]1C[C@@H](OC)C[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012852107	0	58	0.0	-66.73	435.19	7.39	-59.34
CCC(C)C(NC(=O)NC[C@@H]1C[C@@H](OC)C[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012852107	1	58	0.0	-68.79	441.56	7.95	-60.84
CO[C@@H]1C[C@@H](CNC(=O)N(C)CC(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300012852108	0	49	0.0	-69.14	387.75	7.75	-61.39
CO[C@@H]1C[C@@H](CNC(=O)N(C)CC(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300012852108	1	49	0.0	-65.90	380.07	7.24	-58.66
CO[C@@H]1C[C@@H](CNC(=O)N2CCCCC2C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300012852109	0	56	0.0	-76.58	414.42	9.85	-66.73
CO[C@@H]1C[C@@H](CNC(=O)N2CCCCC2C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300012852109	1	56	0.0	-72.17	413.50	9.39	-62.78
CCCC(C)(NC(=O)NC[C@@H]1C[C@@H](OC)C[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012852110	0	58	0.0	-64.94	429.59	7.56	-57.38
CCCC(C)(NC(=O)NC[C@@H]1C[C@@H](OC)C[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012852110	1	58	0.0	-66.93	432.63	8.19	-58.74
CO[C@@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])C(C)C)[N@H+](CC2=CC=CC=C2)C1	REAL300012852111	0	55	0.0	-53.64	414.06	9.08	-44.56
CO[C@@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])C(C)C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012852111	1	55	0.0	-66.28	410.64	9.34	-56.94
CO[C@@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])C2CC2)[N@H+](CC2=CC=CC=C2)C1	REAL300012852112	0	53	0.0	-51.45	406.47	9.81	-41.64
CO[C@@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])C2CC2)[N@@H+](CC2=CC=CC=C2)C1	REAL300012852112	1	53	0.0	-53.80	404.72	8.77	-45.03
C=CCN(CC(=O)[O-])C(=O)NC[C@@H]1C[C@@H](OC)C[N@H+]1CC1=CC=CC=C1	REAL300012852113	0	53	0.0	-52.15	416.85	9.38	-42.77
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CO[C@@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])CC(C)C)[N@H+](CC2=CC=CC=C2)C1	REAL300012852114	0	58	0.0	-52.37	440.19	10.10	-42.27
CO[C@@H]1C[C@@H](CNC(=O)N(CC(=O)[O-])CC(C)C)[N@@H+](CC2=CC=CC=C2)C1	REAL300012852114	1	58	0.0	-53.67	438.03	9.32	-44.35
CO[C@@H]1C[C@@H](CNC(=O)NC(C)(C)C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300012852115	0	52	0.0	-60.64	401.83	6.25	-54.39
CO[C@@H]1C[C@@H](CNC(=O)NC(C)(C)C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300012852115	1	52	0.0	-58.40	394.63	5.82	-52.58
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CCCN(CC(=O)[O-])C(=O)NC[C@@H]1C[C@@H](OC)C[N@@H+]1CC1=CC=CC=C1	REAL300012852119	0	55	0.0	-53.12	423.63	9.02	-44.10
CCCN(CC(=O)[O-])C(=O)NC[C@@H]1C[C@@H](OC)C[N@H+]1CC1=CC=CC=C1	REAL300012852119	1	55	0.0	-52.39	425.54	9.58	-42.81
CCN(CC(=O)[O-])C(=O)NC[C@@H]1C[C@@H](OC)C[N@@H+]1CC1=CC=CC=C1	REAL300012852120	0	52	0.0	-66.09	401.88	8.23	-57.86
CCN(CC(=O)[O-])C(=O)NC[C@@H]1C[C@@H](OC)C[N@H+]1CC1=CC=CC=C1	REAL300012852120	1	52	0.0	-67.66	404.05	8.82	-58.84
CC[C@H](C)[C@H](NC(=O)NC[C@@H]1C[C@@H](OC)C[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012852121	0	58	0.0	-65.31	433.53	7.36	-57.95
CC[C@H](C)[C@H](NC(=O)NC[C@@H]1C[C@@H](OC)C[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300012852121	1	58	0.0	-70.57	438.23	8.03	-62.54
CO[C@@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCCC2)[N@H+](CC2=CC=CC=C2)C1	REAL300012852122	0	56	0.0	-72.68	426.10	8.01	-64.67
CO[C@@H]1C[C@@H](CNC(=O)NC2(C(=O)[O-])CCCC2)[N@@H+](CC2=CC=CC=C2)C1	REAL300012852122	1	56	0.0	-68.80	419.04	7.55	-61.25
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C[C@H]1CC[C@@](NC(=O)NC2CCC3C[N@@H+](C)CC32)(C(=O)[O-])CC1	REAL300012857063	1	52	0.0	-80.47	359.04	8.59	-71.88
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C[N@@H+]1CC2CCC(NC(=O)NC(CC3CCOCC3)C(=O)[O-])C2C1	REAL300012857081	0	53	0.0	-79.98	392.58	6.17	-73.81
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C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CCC3C[N@@H+](C)CC32)[C@H]1C(=O)[O-]	REAL300012857103	1	53	0.0	-70.91	383.86	10.38	-60.53
C[N@@H+]1CC2CCC(NC(=O)N3CCOC4=CC=CC=C4C3C(=O)[O-])C2C1	REAL300012857104	0	51	0.0	-70.54	363.42	8.90	-61.64
C[N@H+]1CC2CCC(NC(=O)N3CCOC4=CC=CC=C4C3C(=O)[O-])C2C1	REAL300012857104	1	51	0.0	-62.40	371.85	9.35	-53.05
C[N@@H+]1CC2CCC(NC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C2C1	REAL300012857105	0	46	0.0	-78.76	353.31	7.72	-71.04
C[N@H+]1CC2CCC(NC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C2C1	REAL300012857105	1	46	0.0	-64.09	351.76	8.17	-55.92
C[N@@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)C2C1	REAL300012857106	0	49	0.0	-74.87	392.42	8.65	-66.22
C[N@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)C2C1	REAL300012857106	1	49	0.0	-76.31	392.21	8.52	-67.79
C[N@@H+]1CC2CCC(NC(=O)NC(CCC3=CC=NC=C3)C(=O)[O-])C2C1	REAL300012857107	0	51	0.0	-74.81	397.18	7.43	-67.38
C[N@H+]1CC2CCC(NC(=O)NC(CCC3=CC=NC=C3)C(=O)[O-])C2C1	REAL300012857107	1	51	0.0	-75.18	396.82	7.42	-67.76
C[N@@H+]1CC2CCC(NC(=O)NC(CC3=NC=CS3)C(=O)[O-])C2C1	REAL300012857108	0	45	0.0	-81.80	362.45	5.58	-76.22
C[N@H+]1CC2CCC(NC(=O)NC(CC3=NC=CS3)C(=O)[O-])C2C1	REAL300012857108	1	45	0.0	-83.04	362.00	5.53	-77.51
C[N@@H+]1CC2CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C2C1	REAL300012857109	0	46	0.0	-58.77	379.48	7.82	-50.95
C[N@H+]1CC2CCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C2C1	REAL300012857109	1	46	0.0	-74.42	382.13	7.29	-67.13
C[N@@H+]1CC2CCC(NC(=O)N3CCS(=O)(=O)CC3C(=O)[O-])C2C1	REAL300012857110	0	46	0.0	-97.86	345.93	4.89	-92.97
C[N@H+]1CC2CCC(NC(=O)N3CCS(=O)(=O)CC3C(=O)[O-])C2C1	REAL300012857110	1	46	0.0	-91.27	349.25	4.54	-86.73
CN1CC(C(=O)[O-])N(C(=O)NC2CCC3C[N@H+](C)CC32)CC1=O	REAL300012857111	0	47	0.0	-69.92	342.59	7.22	-62.70
CN1CC(C(=O)[O-])N(C(=O)NC2CCC3C[N@@H+](C)CC32)CC1=O	REAL300012857111	1	47	0.0	-75.44	342.33	7.57	-67.87
C[N@@H+]1CC2CCC(NC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C2C1	REAL300012857112	0	46	0.0	-81.19	353.57	7.65	-73.54
C[N@H+]1CC2CCC(NC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C2C1	REAL300012857112	1	46	0.0	-79.71	353.45	7.52	-72.19
C[N@@H+]1CC2CCC(NC(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])C2C1	REAL300012857113	0	49	0.0	-81.90	367.34	7.04	-74.86
C[N@H+]1CC2CCC(NC(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])C2C1	REAL300012857113	1	49	0.0	-77.50	366.31	6.73	-70.77
C[N@@H+]1CC2CCC(NC(=O)N(CC(=O)[O-])C3CCCC3)C2C1	REAL300012857114	0	49	0.0	-67.44	352.98	8.68	-58.76
C[N@H+]1CC2CCC(NC(=O)N(CC(=O)[O-])C3CCCC3)C2C1	REAL300012857114	1	49	0.0	-60.67	353.00	8.69	-51.98
C[N@@H+]1CC2CCC(NC(=O)NC3(C(=O)[O-])CC(CO)C3)C2C1	REAL300012857115	0	47	0.0	-78.88	349.15	4.25	-74.63
C[N@H+]1CC2CCC(NC(=O)NC3(C(=O)[O-])CC(CO)C3)C2C1	REAL300012857115	1	47	0.0	-82.44	352.67	3.16	-79.28
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CCC2C[N@H+](C)CC21)C(=O)[O-]	REAL300012857116	0	55	0.0	-80.62	401.36	6.72	-73.90
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CCC2C[N@@H+](C)CC21)C(=O)[O-]	REAL300012857116	1	55	0.0	-67.74	399.62	7.38	-60.36
CC1CCC(NC(=O)NC2CCC3C[N@H+](C)CC32)(C(=O)[O-])C1	REAL300012857117	0	49	0.0	-79.13	351.97	7.63	-71.50
CC1CCC(NC(=O)NC2CCC3C[N@@H+](C)CC32)(C(=O)[O-])C1	REAL300012857117	1	49	0.0	-69.40	352.02	7.80	-61.60
C[N@@H+]1CC2CCC(NC(=O)NC3(C(=O)[O-])CCCC3(C)C)C2C1	REAL300012857118	0	52	0.0	-77.25	366.60	7.80	-69.45
C[N@H+]1CC2CCC(NC(=O)NC3(C(=O)[O-])CCCC3(C)C)C2C1	REAL300012857118	1	52	0.0	-79.43	362.44	8.57	-70.86
CN(C(=O)NC1CCC2C[N@H+](C)CC21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012857119	0	52	0.0	-79.21	386.33	10.44	-68.77
CN(C(=O)NC1CCC2C[N@@H+](C)CC21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012857119	1	52	0.0	-78.64	389.81	10.46	-68.18
C[N@@H+]1CC2CCC(NC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C2C1	REAL300012857120	0	49	0.0	-83.70	358.50	7.70	-76.00
C[N@H+]1CC2CCC(NC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C2C1	REAL300012857120	1	49	0.0	-71.84	353.31	8.68	-63.16
CC1CCC(NC(=O)NC2CCC3C[N@H+](C)CC32)(C(=O)[O-])C2=CC=CC=C21	REAL300012857121	0	56	0.0	-68.48	401.10	10.53	-57.95
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C[N@@H+]1CC2CCC(NC(=O)N3CC4(CC4)C4=CC=CC=C4C3C(=O)[O-])C2C1	REAL300012857123	0	54	0.0	-59.23	393.72	11.56	-47.67
C[N@H+]1CC2CCC(NC(=O)N3CC4(CC4)C4=CC=CC=C4C3C(=O)[O-])C2C1	REAL300012857123	1	54	0.0	-50.11	394.31	11.66	-38.45
C[N@@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C3CCOC3)C2C1	REAL300012857124	0	47	0.0	-63.17	342.24	5.04	-58.13
C[N@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C3CCOC3)C2C1	REAL300012857124	1	47	0.0	-76.86	344.01	4.49	-72.37
C[N@@H+]1CC2CCC(NC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C2C1	REAL300012857125	0	47	0.0	-82.40	339.02	9.00	-73.40
C[N@H+]1CC2CCC(NC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C2C1	REAL300012857125	1	47	0.0	-82.57	341.32	8.39	-74.18
C[N@@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C3=CNC4=CC=CC=C34)C2C1	REAL300012857126	0	50	0.0	-88.72	385.20	7.72	-81.00
C[N@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C3=CNC4=CC=CC=C34)C2C1	REAL300012857126	1	50	0.0	-86.45	388.68	7.55	-78.90
C[N@@H+]1CC2CCC(NC(=O)N3CC4CC3(C(=O)[O-])CO4)C2C1	REAL300012857127	0	45	0.0	-81.50	329.31	6.85	-74.65
C[N@H+]1CC2CCC(NC(=O)N3CC4CC3(C(=O)[O-])CO4)C2C1	REAL300012857127	1	45	0.0	-78.07	328.88	6.79	-71.28
CC1CCC(C(=O)[O-])N(C(=O)NC2CCC3C[N@H+](C)CC32)C1	REAL300012857128	0	49	0.0	-77.84	341.41	9.76	-68.08
CC1CCC(C(=O)[O-])N(C(=O)NC2CCC3C[N@@H+](C)CC32)C1	REAL300012857128	1	49	0.0	-85.46	347.51	9.31	-76.15
CC(C1=CC=CC=C1)C(NC(=O)NC1CCC2C[N@H+](C)CC21)C(=O)[O-]	REAL300012857129	0	52	0.0	-78.62	390.83	8.81	-69.81
CC(C1=CC=CC=C1)C(NC(=O)NC1CCC2C[N@@H+](C)CC21)C(=O)[O-]	REAL300012857129	1	52	0.0	-79.38	380.85	8.61	-70.77
C[N@@H+]1CC2CCC(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])C2C1	REAL300012857130	0	53	0.0	-80.86	390.09	8.70	-72.16
C[N@H+]1CC2CCC(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])C2C1	REAL300012857130	1	53	0.0	-78.47	389.04	9.14	-69.33
C[N@@H+]1CC2CCC(NC(=O)NC3(C(=O)[O-])CC(C)(C)OC(C)(C)C3)C2C1	REAL300012857131	0	59	0.0	-81.88	414.67	8.14	-73.74
C[N@H+]1CC2CCC(NC(=O)NC3(C(=O)[O-])CC(C)(C)OC(C)(C)C3)C2C1	REAL300012857131	1	59	0.0	-84.23	410.74	8.30	-75.93
C[N@@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C3CCCCC3)C2C1	REAL300012857132	0	52	0.0	-78.04	374.16	8.05	-69.99
C[N@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C3CCCCC3)C2C1	REAL300012857132	1	52	0.0	-80.68	374.59	7.55	-73.13
C[N@@H+]1CC2CCC(NC(=O)NC(CC3CCCCO3)C(=O)[O-])C2C1	REAL300012857133	0	53	0.0	-82.02	391.63	6.74	-75.28
C[N@H+]1CC2CCC(NC(=O)NC(CC3CCCCO3)C(=O)[O-])C2C1	REAL300012857133	1	53	0.0	-66.85	390.04	7.18	-59.67
C[N@@H+]1CC2CCC(NC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)C2C1	REAL300012857134	0	53	0.0	-54.67	362.05	9.85	-44.82
C[N@H+]1CC2CCC(NC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)C2C1	REAL300012857134	1	53	0.0	-63.26	367.09	9.06	-54.20
C[N@@H+]1CC2CCC(NC(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)C2C1	REAL300012857135	0	53	0.0	-82.71	370.87	6.35	-76.36
C[N@H+]1CC2CCC(NC(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)C2C1	REAL300012857135	1	53	0.0	-82.37	363.99	7.07	-75.30
C[N@@H+]1CC2CCC(NC(=O)NC(CC3=CSC4=CC=CC=C34)C(=O)[O-])C2C1	REAL300012857136	0	52	0.0	-80.38	413.83	9.92	-70.46
C[N@H+]1CC2CCC(NC(=O)NC(CC3=CSC4=CC=CC=C34)C(=O)[O-])C2C1	REAL300012857136	1	52	0.0	-80.29	413.77	9.79	-70.50
CC1=CC=CC2=C1CCN(C(=O)NC1CCC3C[N@@H+](C)CC31)C2C(=O)[O-]	REAL300012857137	0	53	0.0	-87.81	378.70	11.47	-76.34
CC1=CC=CC2=C1CCN(C(=O)NC1CCC3C[N@H+](C)CC31)C2C(=O)[O-]	REAL300012857137	1	53	0.0	-60.40	385.21	11.06	-49.34
C[N@@H+]1CC2CCC(NC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C2C1	REAL300012857138	0	47	0.0	-57.24	338.48	9.02	-48.22
C[N@H+]1CC2CCC(NC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C2C1	REAL300012857138	1	47	0.0	-66.03	343.39	8.23	-57.80
C[N@@H+]1CC2CCC(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])C2C1	REAL300012857139	0	53	0.0	-80.86	390.09	8.70	-72.16
C[N@H+]1CC2CCC(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])C2C1	REAL300012857139	1	53	0.0	-78.47	389.04	9.14	-69.33
C[N@@H+]1CC2CCC(NC(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])C2C1	REAL300012857140	0	49	0.0	-84.89	382.06	8.71	-76.18
C[N@H+]1CC2CCC(NC(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])C2C1	REAL300012857140	1	49	0.0	-70.81	382.17	9.37	-61.44
COC1CC(NC(=O)NC2CCC3C[N@H+](C)CC32)(C(=O)[O-])C1	REAL300012857141	0	47	0.0	-79.72	355.87	4.93	-74.79
COC1CC(NC(=O)NC2CCC3C[N@@H+](C)CC32)(C(=O)[O-])C1	REAL300012857141	1	47	0.0	-82.97	350.08	5.92	-77.05
C[N@@H+]1CC2CCC(NC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C2C1	REAL300012857142	0	43	0.0	-80.50	330.86	6.02	-74.48
C[N@H+]1CC2CCC(NC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C2C1	REAL300012857142	1	43	0.0	-69.77	325.57	6.99	-62.78
CO[C@H]1C[C@](NC(=O)NC2CCC3C[N@H+](C)CC32)(C(=O)[O-])C1	REAL300012857143	0	47	0.0	-73.72	349.52	5.68	-68.04
CO[C@H]1C[C@](NC(=O)NC2CCC3C[N@@H+](C)CC32)(C(=O)[O-])C1	REAL300012857143	1	47	0.0	-80.74	354.14	5.31	-75.43
C[N@@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)C2C1	REAL300012857144	0	46	0.0	-76.66	361.63	6.85	-69.81
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CCC1(C(=O)[O-])CCCN1C(=O)NC1CCC2C[N@H+](C)CC21	REAL300012857145	0	49	0.0	-79.37	350.50	8.69	-70.68
CCC1(C(=O)[O-])CCCN1C(=O)NC1CCC2C[N@@H+](C)CC21	REAL300012857145	1	49	0.0	-85.86	352.46	8.96	-76.90
C[N@@H+]1CC2CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C2C1	REAL300012857146	0	42	0.0	-73.57	333.20	6.34	-67.23
C[N@H+]1CC2CCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C2C1	REAL300012857146	1	42	0.0	-69.19	336.71	6.02	-63.17
C[N@@H+]1CC2CCC(NC(=O)NC(CC3CCOC3)C(=O)[O-])C2C1	REAL300012857147	0	50	0.0	-80.97	371.55	5.70	-75.27
C[N@H+]1CC2CCC(NC(=O)NC(CC3CCOC3)C(=O)[O-])C2C1	REAL300012857147	1	50	0.0	-80.45	374.65	5.43	-75.02
C[N@@H+]1CC2CCC(NC(=O)NC(CC3=CC=CS3)C(=O)[O-])C2C1	REAL300012857148	0	46	0.0	-82.08	367.52	7.71	-74.37
C[N@H+]1CC2CCC(NC(=O)NC(CC3=CC=CS3)C(=O)[O-])C2C1	REAL300012857148	1	46	0.0	-79.89	366.70	7.54	-72.35
COCC(NC(=O)NC1CCC2C[N@H+](C)CC21)(C(=O)[O-])C1=CC=CC=C1	REAL300012857149	0	53	0.0	-75.68	397.92	7.39	-68.29
COCC(NC(=O)NC1CCC2C[N@@H+](C)CC21)(C(=O)[O-])C1=CC=CC=C1	REAL300012857149	1	53	0.0	-79.19	398.08	7.38	-71.81
C[N@@H+]1CC2CCC(NC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C2C1	REAL300012857150	0	47	0.0	-87.41	343.42	8.02	-79.39
C[N@H+]1CC2CCC(NC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C2C1	REAL300012857150	1	47	0.0	-86.60	342.95	8.00	-78.60
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCC2C[N@H+](C)CC21	REAL300012857151	0	52	0.0	-53.27	380.43	10.99	-42.28
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCC2C[N@@H+](C)CC21	REAL300012857151	1	52	0.0	-87.00	380.63	11.13	-75.87
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C[N@H+]1CC2CCC(NC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C2C1	REAL300012857203	1	50	0.0	-72.85	353.46	9.04	-63.81
COCCCC(NC(=O)NC1CCC2C[N@H+](C)CC21)C(=O)[O-]	REAL300012857204	0	49	0.0	-77.54	375.12	5.18	-72.36
COCCCC(NC(=O)NC1CCC2C[N@@H+](C)CC21)C(=O)[O-]	REAL300012857204	1	49	0.0	-77.00	375.47	5.20	-71.80
C[N@@H+]1CC2CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C2C1	REAL300012857205	0	51	0.0	-81.17	368.36	7.98	-73.19
C[N@H+]1CC2CCC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C2C1	REAL300012857205	1	51	0.0	-74.46	371.61	7.72	-66.74
C[N@@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C3CCCCO3)C2C1	REAL300012857206	0	50	0.0	-76.19	364.45	6.18	-70.01
C[N@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C3CCCCO3)C2C1	REAL300012857206	1	50	0.0	-76.18	364.56	6.17	-70.01
C[N@@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC(Br)=C3)C2C1	REAL300012857207	0	46	0.0	-77.00	374.33	8.30	-68.70
C[N@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C3=CC=CC(Br)=C3)C2C1	REAL300012857207	1	46	0.0	-77.04	378.21	8.02	-69.02
C[N@@H+]1CC2CCC(NC(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)C2C1	REAL300012857208	0	50	0.0	-77.56	371.38	9.58	-67.98
C[N@H+]1CC2CCC(NC(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)C2C1	REAL300012857208	1	50	0.0	-67.84	371.16	9.39	-58.45
C[C@H]1OCCN(C(=O)NC2CCC3C[N@H+](C)CC32)[C@@H]1C(=O)[O-]	REAL300012857209	0	47	0.0	-81.32	337.07	7.34	-73.98
C[C@H]1OCCN(C(=O)NC2CCC3C[N@@H+](C)CC32)[C@@H]1C(=O)[O-]	REAL300012857209	1	47	0.0	-83.57	341.59	6.52	-77.05
C[N@@H+]1CC2CCC(NC(=O)N3CCC[C@H](C(F)(F)F)[C@@H]3C(=O)[O-])C2C1	REAL300012857210	0	49	0.0	-79.27	358.17	8.43	-70.84
C[N@H+]1CC2CCC(NC(=O)N3CCC[C@H](C(F)(F)F)[C@@H]3C(=O)[O-])C2C1	REAL300012857210	1	49	0.0	-76.69	358.64	9.15	-67.54
C[N@@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C34CC5CC(CC(C5)C3)C4)C2C1	REAL300012857211	0	60	0.0	-86.29	409.74	9.67	-76.62
C[N@H+]1CC2CCC(NC(=O)NC(C(=O)[O-])C34CC5CC(CC(C5)C3)C4)C2C1	REAL300012857211	1	60	0.0	-80.72	408.36	10.12	-70.60
C[N@@H+]1CC2CCC(NC(=O)NC(CC3=COC4=CC=CC=C34)C(=O)[O-])C2C1	REAL300012857212	0	52	0.0	-84.51	400.44	8.96	-75.55
C[N@H+]1CC2CCC(NC(=O)NC(CC3=COC4=CC=CC=C34)C(=O)[O-])C2C1	REAL300012857212	1	52	0.0	-78.62	408.87	8.65	-69.97
C[N@@H+]1CC2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CO3)C2C1	REAL300012857213	0	46	0.0	-62.55	356.01	8.52	-54.03
C[N@H+]1CC2CCC(NC(=O)N(CC(=O)[O-])CC3=CC=CO3)C2C1	REAL300012857213	1	46	0.0	-41.38	347.95	8.71	-32.67
C[N@@H+]1CC2CCC(NC(=O)N3CC4(CCOCC4)CCC3C(=O)[O-])C2C1	REAL300012857214	0	57	0.0	-92.13	389.47	9.02	-83.11
C[N@H+]1CC2CCC(NC(=O)N3CC4(CCOCC4)CCC3C(=O)[O-])C2C1	REAL300012857214	1	57	0.0	-84.97	393.20	8.94	-76.03
C[N@@H+]1CC2CCC(NC(=O)NC(CC3=CC=C(Cl)N=C3)C(=O)[O-])C2C1	REAL300012857215	0	48	0.0	-76.13	387.44	7.27	-68.86
C[N@H+]1CC2CCC(NC(=O)NC(CC3=CC=C(Cl)N=C3)C(=O)[O-])C2C1	REAL300012857215	1	48	0.0	-82.21	387.50	7.11	-75.10
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCC3C[N@H+](C)CC32)C1	REAL300012857216	0	50	0.0	-71.24	370.84	7.96	-63.28
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCC3C[N@@H+](C)CC32)C1	REAL300012857216	1	50	0.0	-75.70	369.94	7.98	-67.72
CC1=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N2CCCCC2=N1	REAL300012857683	0	60	0.0	-64.65	453.65	8.03	-56.62
CN1N=NC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012857898	0	49	0.0	-66.52	385.91	3.77	-62.75
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012858157	0	62	0.0	-63.05	465.28	9.95	-53.10
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(C(F)(F)F)O2)CC1	REAL300012858467	0	50	0.0	-65.41	413.10	6.76	-58.65
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC(C)(C)O)CC1	REAL300012858702	0	56	0.0	-60.50	417.43	3.71	-56.79
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC(C(C)(C)O)C2)CC1	REAL300012859301	0	57	0.0	-62.10	425.67	4.86	-57.24
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCCC2F)CC1	REAL300012859832	0	56	0.0	-65.43	417.09	7.81	-57.62
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCN2CCOC2=O)CC1	REAL300012860060	0	52	0.0	-71.09	402.34	4.34	-66.75
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC23CCC2=CC=CC=C23)CC1	REAL300012860345	0	58	0.0	-60.82	437.52	9.86	-50.96
CN1C=CC(C(C)(C)CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012860638	0	59	0.0	-68.28	449.10	7.23	-61.05
CCN1C=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N=N1	REAL300012860890	0	55	0.0	-68.79	425.67	5.27	-63.52
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC3(CC3)C2)CC1	REAL300012861133	0	60	0.0	-62.40	444.78	9.12	-53.28
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)C=CCCC2)CC1	REAL300012861356	0	57	0.0	-58.54	413.91	8.08	-50.46
CC1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012861884	0	56	0.0	-59.54	428.87	8.63	-50.91
CC1=CC(C)=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1C	REAL300012862181	0	62	0.0	-63.56	466.47	9.84	-53.72
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC2=CC=CN=C21	REAL300012862497	0	58	0.0	-67.49	449.97	9.19	-58.30
C[C@@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCOCC1	REAL300012862741	0	57	0.0	-62.72	416.76	5.90	-56.82
C[C@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CCOCC1	REAL300012863188	0	57	0.0	-63.46	416.17	5.93	-57.53
CN1N=C(C2CC2)N=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012863749	0	56	0.0	-68.94	439.74	7.03	-61.91
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=NC=C(F)C=C2F)CC1	REAL300012864047	0	52	0.0	-59.86	414.21	6.21	-53.65
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCN2CCOCC2=O)CC1	REAL300012864843	0	55	0.0	-62.77	418.84	3.48	-59.29
CN1N=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1C(F)F	REAL300012865142	0	52	0.0	-69.00	418.61	4.57	-64.43
C#CCS(=O)(=O)CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012865434	0	51	0.0	-70.09	416.94	3.12	-66.97
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC(F)C2)CC1	REAL300012865641	0	50	0.0	-63.07	386.10	6.55	-56.52
CCC1=CC=CC=C1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012865868	0	59	0.0	-63.25	446.91	9.30	-53.95
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCS(=O)(=O)C2)CC1	REAL300012866175	0	56	0.0	-65.97	430.89	3.53	-62.44
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3(C2)CNC(=O)C3)CC1	REAL300012866433	0	55	0.0	-66.72	419.05	3.77	-62.95
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@@H]3COC[C@H]23)CC1	REAL300012866635	0	52	0.0	-65.59	390.19	5.61	-59.98
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866718	0	47	0.0	-78.15	384.49	7.42	-70.73
C=CCOCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866719	0	46	0.0	-79.34	393.03	5.85	-73.49
C=CC(C)C(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866720	0	45	0.0	-78.06	377.56	7.20	-70.86
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300012866721	0	49	0.0	-79.18	396.05	6.10	-73.08
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300012866722	0	45	0.0	-73.59	395.06	8.34	-65.25
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)S1	REAL300012866723	0	45	0.0	-73.66	404.95	8.79	-64.87
COC1CCN(C(=O)NCC2=CC=C(C[NH+](C)C)S2)C(C(=O)[O-])C1	REAL300012866724	0	49	0.0	-90.17	388.87	8.24	-81.93
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCOC2)S1	REAL300012866725	0	49	0.0	-78.09	390.50	5.87	-72.22
CC1CCN(C(=O)NCC2=CC=C(C[NH+](C)C)S2)C(C(=O)[O-])C1	REAL300012866726	0	48	0.0	-88.88	377.02	9.59	-79.29
CC1=CC(C(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])=CC=C1F	REAL300012866727	0	48	0.0	-76.59	409.29	8.83	-67.76
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)S1	REAL300012866728	0	50	0.0	-79.80	417.85	8.05	-71.75
CC1=CC(C(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])=CC(C)=C1	REAL300012866729	0	51	0.0	-81.27	425.42	9.45	-71.82
CC1=CC=C(C(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])C=C1C	REAL300012866730	0	51	0.0	-81.55	420.38	9.41	-72.14
CC1=CC=CC(C(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])=C1C	REAL300012866731	0	51	0.0	-79.38	411.62	9.15	-70.23
COC1=CC=C(C(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])C=C1F	REAL300012866732	0	49	0.0	-77.47	418.07	7.59	-69.88
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866733	0	44	0.0	-65.13	365.84	8.64	-56.49
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C1CCC1	REAL300012866734	0	48	0.0	-65.73	378.18	8.93	-56.80
CCCN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C(COC)C(=O)[O-]	REAL300012866735	0	51	0.0	-77.22	403.27	8.22	-69.00
CCCN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C(CC)C(=O)[O-]	REAL300012866736	0	50	0.0	-62.81	388.89	10.25	-52.56
CC(C)C(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866737	0	44	0.0	-77.50	357.15	6.36	-71.14
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])S1	REAL300012866738	0	45	0.0	-89.83	356.33	9.20	-80.63
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300012866739	0	45	0.0	-75.71	398.29	8.67	-67.04
C[NH+](C)CC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])S1	REAL300012866740	0	43	0.0	-85.70	355.68	8.98	-76.72
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300012866741	0	48	0.0	-83.21	375.91	8.28	-74.93
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCC2C(=O)[O-])S1	REAL300012866742	0	42	0.0	-85.00	344.78	7.97	-77.03
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300012866743	0	45	0.0	-83.60	361.02	7.16	-76.44
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCCC2)S1	REAL300012866744	0	51	0.0	-83.86	381.57	8.94	-74.92
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300012866745	0	48	0.0	-80.38	404.84	9.07	-71.31
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012866746	0	48	0.0	-65.46	403.34	10.89	-54.57
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300012866747	0	45	0.0	-80.08	382.35	8.22	-71.86
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300012866748	0	45	0.0	-80.78	382.20	8.12	-72.66
CC(C)C(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866749	0	44	0.0	-77.50	357.15	6.36	-71.14
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300012866750	0	48	0.0	-80.38	404.84	9.07	-71.31
CCC(C)C(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866751	0	47	0.0	-80.02	376.69	7.03	-72.99
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCCC2C(=O)[O-])S1	REAL300012866752	0	45	0.0	-89.83	356.33	9.20	-80.63
CCCC(C)(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866753	0	47	0.0	-78.84	372.05	7.19	-71.65
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866754	0	44	0.0	-78.10	354.04	8.14	-69.96
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)S1	REAL300012866755	0	42	0.0	-78.71	349.26	8.28	-70.43
C=CCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866756	0	42	0.0	-65.26	356.77	8.43	-56.83
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866757	0	47	0.0	-64.88	379.87	8.93	-55.95
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])S1	REAL300012866758	0	49	0.0	-88.99	394.11	11.13	-77.86
C[NH+](C)CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300012866759	0	45	0.0	-81.60	359.66	7.17	-74.43
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CS2)S1	REAL300012866760	0	42	0.0	-77.70	373.19	7.24	-70.46
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300012866761	0	48	0.0	-83.21	375.91	8.28	-74.93
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)S1	REAL300012866762	0	48	0.0	-62.83	420.09	11.41	-51.42
CC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866763	0	44	0.0	-78.10	354.04	8.14	-69.96
CCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866764	0	44	0.0	-65.13	365.84	8.64	-56.49
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866765	0	47	0.0	-78.16	375.61	6.99	-71.17
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300012866766	0	45	0.0	-83.60	361.02	7.16	-76.44
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300012866767	0	48	0.0	-62.98	409.77	10.95	-52.03
CCC(C)(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866768	0	44	0.0	-78.47	350.55	6.44	-72.03
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300012866769	0	49	0.0	-83.18	400.14	9.30	-73.88
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300012866770	0	45	0.0	-79.89	392.81	8.34	-71.55
C[NH+](C)CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300012866771	0	48	0.0	-81.54	390.38	8.91	-72.63
CCCCCCC(C)(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866772	0	56	0.0	-79.08	436.55	9.53	-69.55
CN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012866773	0	51	0.0	-77.03	413.03	11.00	-66.03
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300012866774	0	45	0.0	-75.71	398.29	8.67	-67.04
C[NH+](C)CC1=CC=C(CNC(=O)N2CCOCC2C(=O)[O-])S1	REAL300012866775	0	43	0.0	-85.79	347.64	6.68	-79.11
CN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C1(C(=O)[O-])CCCCC1	REAL300012866776	0	51	0.0	-85.16	384.80	9.58	-75.58
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)S1	REAL300012866777	0	42	0.0	-79.20	350.65	6.54	-72.66
C[NH+](C)CC1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300012866778	0	51	0.0	-66.06	425.75	11.66	-54.40
CN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012866779	0	48	0.0	-76.42	390.31	9.79	-66.63
COCCN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866780	0	45	0.0	-65.71	375.72	7.06	-58.65
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)S1	REAL300012866781	0	49	0.0	-87.20	396.90	9.22	-77.98
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300012866782	0	42	0.0	-85.70	345.93	7.67	-78.03
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300012866783	0	45	0.0	-89.01	355.48	9.01	-80.00
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300012866784	0	42	0.0	-85.00	344.78	7.97	-77.03
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC2)S1	REAL300012866785	0	42	0.0	-84.05	347.52	6.77	-77.28
C=CCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866786	0	42	0.0	-77.69	359.34	6.50	-71.19
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300012866787	0	45	0.0	-84.50	362.25	8.53	-75.97
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCCCC2C(=O)[O-])S1	REAL300012866788	0	48	0.0	-88.00	369.30	9.62	-78.38
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC2)S1	REAL300012866789	0	42	0.0	-79.20	350.65	6.54	-72.66
CCCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866790	0	47	0.0	-77.97	389.02	7.59	-70.38
C[NH+](C)CC1=CC=C(CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300012866791	0	51	0.0	-66.06	425.75	11.66	-54.40
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300012866792	0	45	0.0	-84.50	362.26	8.52	-75.98
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300012866793	0	48	0.0	-64.42	380.68	9.45	-54.97
COCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866794	0	42	0.0	-80.33	357.75	4.34	-75.99
CCCCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866795	0	50	0.0	-78.40	410.28	8.44	-69.96
CCC1CCC(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)(C(=O)[O-])CC1	REAL300012866796	0	54	0.0	-83.51	414.60	9.51	-74.00
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300012866797	0	49	0.0	-65.42	388.73	7.77	-57.65
CN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C1(C(=O)[O-])CCCC1	REAL300012866798	0	48	0.0	-85.24	371.47	8.87	-76.37
CC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C1CC1	REAL300012866799	0	45	0.0	-66.26	362.40	8.45	-57.81
CCC(C(=O)[O-])N(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C1CC1	REAL300012866800	0	48	0.0	-64.90	383.41	9.58	-55.32
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)S1	REAL300012866801	0	45	0.0	-81.72	393.81	8.62	-73.10
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)S1	REAL300012866802	0	45	0.0	-85.83	386.62	8.21	-77.62
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300012866803	0	49	0.0	-68.75	397.47	10.56	-58.19
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300012866804	0	48	0.0	-83.34	420.26	9.40	-73.94
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300012866805	0	54	0.0	-79.23	426.79	9.26	-69.97
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866806	0	51	0.0	-65.04	411.40	11.52	-53.52
CC1=CC=C(C(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])C=C1	REAL300012866807	0	48	0.0	-80.24	403.76	8.89	-71.35
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300012866808	0	41	0.0	-71.78	361.52	6.78	-65.00
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)S1	REAL300012866809	0	51	0.0	-82.42	428.16	10.40	-72.02
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCSCC2)S1	REAL300012866810	0	46	0.0	-78.23	373.61	7.96	-70.27
COCC(C)(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866811	0	45	0.0	-82.98	368.41	5.70	-77.28
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866812	0	48	0.0	-75.68	389.02	7.46	-68.22
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866813	0	47	0.0	-64.88	379.87	8.93	-55.95
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866814	0	54	0.0	-62.57	431.42	12.22	-50.35
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CC2)S1	REAL300012866815	0	42	0.0	-78.71	349.26	8.28	-70.43
C[NH+](C)CC1=CC=C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300012866816	0	44	0.0	-64.28	383.98	9.02	-55.26
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC2)S1	REAL300012866817	0	43	0.0	-78.44	351.66	4.56	-73.88
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300012866818	0	51	0.0	-81.37	399.77	8.26	-73.11
CN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C(COC1CCC1)C(=O)[O-]	REAL300012866819	0	52	0.0	-75.25	415.34	8.95	-66.30
C[NH+](C)CC1=CC=C(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)S1	REAL300012866820	0	52	0.0	-89.40	421.93	12.06	-77.34
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300012866821	0	46	0.0	-82.32	366.96	5.77	-76.55
C=CCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866822	0	45	0.0	-78.19	380.10	7.44	-70.75
C[NH+](C)CC1=CC=C(CNC(=O)NC(CF)C(=O)[O-])S1	REAL300012866823	0	38	0.0	-66.49	328.13	5.03	-61.46
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866824	0	51	0.0	-63.42	411.85	11.95	-51.47
CCC(CC)(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866825	0	47	0.0	-81.04	366.55	7.32	-73.72
COC1=CC=C(C(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])C=C1	REAL300012866826	0	49	0.0	-79.27	412.04	7.43	-71.84
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866827	0	47	0.0	-63.85	377.04	9.37	-54.48
CCC(COC)(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866828	0	48	0.0	-84.35	385.08	6.62	-77.73
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866829	0	51	0.0	-74.39	408.83	8.20	-66.19
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)S1	REAL300012866830	0	48	0.0	-83.07	392.44	4.27	-78.80
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300012866831	0	45	0.0	-77.41	376.80	7.61	-69.80
COCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866832	0	45	0.0	-78.33	379.46	5.18	-73.15
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866833	0	50	0.0	-75.41	396.58	9.51	-65.90
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC(F)F)C(=O)[O-])S1	REAL300012866834	0	41	0.0	-77.28	358.13	6.40	-70.88
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866835	0	51	0.0	-86.31	397.47	10.17	-76.14
CCCN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C(C)C(=O)[O-]	REAL300012866836	0	47	0.0	-67.35	376.07	8.72	-58.63
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866837	0	51	0.0	-61.90	415.33	11.71	-50.19
CCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012866838	0	51	0.0	-82.45	407.35	9.81	-72.64
COC1CCCC(C(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])C1	REAL300012866839	0	55	0.0	-84.99	432.22	7.26	-77.73
C[NH+](C)CC1=CC=C(CNC(=O)NC(CCF)C(=O)[O-])S1	REAL300012866840	0	41	0.0	-76.71	352.38	6.26	-70.45
COC1(CC(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])CCC1	REAL300012866841	0	52	0.0	-81.06	418.15	7.08	-73.98
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300012866842	0	49	0.0	-65.42	388.73	7.77	-57.65
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCCC2)S1	REAL300012866843	0	51	0.0	-66.13	398.08	10.16	-55.97
C[C@H]1CC[C@@](NC(=O)NCC2=CC=C(C[NH+](C)C)S2)(C(=O)[O-])CC1	REAL300012866844	0	51	0.0	-82.70	389.73	8.66	-74.04
COC1=CC=CC(C(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])=C1	REAL300012866845	0	49	0.0	-82.51	411.66	7.42	-75.09
C[NH+](C)CC1=CC=C(CNC(=O)NC(C)(CCF)C(=O)[O-])S1	REAL300012866846	0	44	0.0	-75.22	357.15	6.58	-68.64
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])S1	REAL300012866847	0	46	0.0	-69.35	378.94	8.61	-60.74
C[NH+](C)CC1=CC=C(CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])S1	REAL300012866848	0	42	0.0	-78.02	358.94	7.82	-70.20
COC1=CC=CC([C@H](NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])=C1	REAL300012866849	0	49	0.0	-82.49	411.66	7.41	-75.08
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+](C)C)S2)C1	REAL300012866850	0	51	0.0	-80.66	411.99	8.99	-71.67
COC1=CC=CC(CC(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])=C1	REAL300012866851	0	52	0.0	-83.23	434.05	8.44	-74.79
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)S1	REAL300012866852	0	54	0.0	-84.58	403.84	9.14	-75.44
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300012866853	0	43	0.0	-91.36	353.60	8.56	-82.80
COC1CN(C(=O)NCC2=CC=C(C[NH+](C)C)S2)C(C)(C(=O)[O-])C1	REAL300012866854	0	49	0.0	-81.94	395.09	7.56	-74.38
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCCOC2)C(=O)[O-])S1	REAL300012866855	0	52	0.0	-77.71	413.19	7.56	-70.15
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300012866856	0	47	0.0	-79.02	377.21	7.17	-71.85
C=C(Cl)CC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866857	0	42	0.0	-74.48	374.65	7.25	-67.23
C=C(C)CC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866858	0	45	0.0	-79.25	379.17	7.35	-71.90
C[NH+](C)CC1=CC=C(CNC(=O)N2C3CCC2(C(=O)[O-])CC3)S1	REAL300012866859	0	46	0.0	-92.96	366.89	9.41	-83.55
C[NH+](C)CC1=CC=C(CNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012866860	0	51	0.0	-79.21	414.37	9.34	-69.87
C[NH+](C)CC1=CC=C(CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])S1	REAL300012866861	0	42	0.0	-77.11	358.17	8.14	-68.97
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300012866862	0	42	0.0	-82.21	352.01	7.76	-74.45
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+](C)C)S2)C1	REAL300012866863	0	43	0.0	-84.85	359.35	8.06	-76.79
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCOCC2)C(=O)[O-])S1	REAL300012866864	0	52	0.0	-78.54	417.04	6.89	-71.65
CC(C)C[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866865	0	47	0.0	-78.15	384.49	7.42	-70.73
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300012866866	0	49	0.0	-79.18	396.05	6.10	-73.08
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300012866867	0	45	0.0	-80.78	382.20	8.12	-72.66
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300012866868	0	45	0.0	-77.41	376.80	7.61	-69.80
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])S1	REAL300012866869	0	44	0.0	-79.45	391.20	6.21	-73.24
CC(C)CCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866870	0	53	0.0	-77.06	427.65	8.91	-68.15
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCCO2)C(=O)[O-])S1	REAL300012866871	0	49	0.0	-83.72	402.22	6.43	-77.29
CSCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866872	0	42	0.0	-76.87	369.73	6.39	-70.48
COC[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866873	0	42	0.0	-79.31	357.40	4.28	-75.03
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012866874	0	48	0.0	-77.89	410.63	9.20	-68.69
CCC(C)CC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866875	0	50	0.0	-78.04	403.35	8.02	-70.02
C=CCCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866876	0	48	0.0	-77.66	401.83	8.16	-69.50
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300012866877	0	48	0.0	-76.58	410.35	9.14	-67.44
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)S1	REAL300012866878	0	51	0.0	-84.43	422.05	10.31	-74.12
C[NH+](C)CC1=CC=C(CNC(=O)N2CCSCC2C(=O)[O-])S1	REAL300012866879	0	43	0.0	-85.70	355.68	8.98	-76.72
C[NH+](C)CC1=CC=C(CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300012866880	0	48	0.0	-81.54	390.38	8.91	-72.63
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300012866881	0	42	0.0	-85.70	345.93	7.67	-78.03
CCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866882	0	44	0.0	-78.37	367.92	6.82	-71.55
CC(C)[C@@H](NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866883	0	44	0.0	-78.88	358.53	6.39	-72.49
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])S1	REAL300012866884	0	46	0.0	-91.72	366.07	9.53	-82.19
CCN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C(C)(C)C(=O)[O-]	REAL300012866885	0	47	0.0	-83.30	370.70	8.81	-74.49
CCCN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C(C)C(=O)[O-]	REAL300012866886	0	47	0.0	-67.35	376.07	8.72	-58.63
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)S1	REAL300012866887	0	41	0.0	-73.07	358.96	8.38	-64.69
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)S1	REAL300012866888	0	41	0.0	-73.07	358.96	8.38	-64.69
CN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C(C)(C)C(=O)[O-]	REAL300012866889	0	44	0.0	-83.09	351.26	7.94	-75.15
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300012866890	0	42	0.0	-85.00	344.78	7.97	-77.03
C[NH+](C)CC1=CC=C(CNC(=O)N(CCN2CCOCC2)CC(=O)[O-])S1	REAL300012866891	0	54	0.0	-66.03	432.30	6.35	-59.68
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])S1	REAL300012866892	0	43	0.0	-86.98	357.16	4.28	-82.70
CN1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(C[NH+](C)C)S2)CC1	REAL300012866893	1	58	0.0	-67.15	456.35	6.06	-61.09
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866894	0	49	0.0	-66.09	400.36	10.80	-55.29
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2=CC=C(C[NH+](C)C)S2)[C@H]1C(=O)[O-]	REAL300012866895	0	52	0.0	-67.78	409.54	11.22	-56.56
CCC[C@@H](NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866896	0	44	0.0	-78.36	367.92	6.83	-71.53
C[NH+](C)CC1=CC=C(CNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])S1	REAL300012866897	0	50	0.0	-74.91	401.65	9.26	-65.65
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300012866898	0	45	0.0	-80.08	382.35	8.22	-71.86
C[NH+](C)CC1=CC=C(CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])S1	REAL300012866899	0	50	0.0	-79.18	422.70	8.08	-71.10
C=CCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866900	0	45	0.0	-78.19	380.10	7.44	-70.75
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])S1	REAL300012866901	0	44	0.0	-81.15	391.12	6.14	-75.01
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300012866902	0	45	0.0	-73.76	410.88	7.88	-65.88
C[NH+](C)CC1=CC=C(CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])S1	REAL300012866903	0	45	0.0	-93.05	375.65	5.53	-87.52
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+](C)C)S2)CC1=O	REAL300012866904	0	46	0.0	-79.72	372.55	7.21	-72.51
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300012866905	0	45	0.0	-85.78	361.89	8.52	-77.26
CC(C)[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866906	0	44	0.0	-78.18	363.45	6.63	-71.55
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300012866907	0	45	0.0	-79.29	381.95	8.16	-71.13
C[NH+](C)CC1=CC=C(CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])S1	REAL300012866908	0	48	0.0	-83.00	391.62	7.46	-75.54
CCC[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866909	0	44	0.0	-77.14	367.08	6.85	-70.29
CCN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C(C)C(=O)[O-]	REAL300012866910	0	44	0.0	-74.28	353.73	7.90	-66.38
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])C2CCCC2)S1	REAL300012866911	0	48	0.0	-64.42	380.68	9.45	-54.97
CC(CN(C)C(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866912	0	44	0.0	-76.46	357.64	7.57	-68.89
CC[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866913	0	47	0.0	-78.16	375.61	6.99	-71.17
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866914	0	44	0.0	-73.16	357.89	8.21	-64.95
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(CO)C2)S1	REAL300012866915	0	46	0.0	-84.30	379.78	4.06	-80.24
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866916	0	54	0.0	-80.31	428.72	7.39	-72.92
CC1CCC(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)(C(=O)[O-])C1	REAL300012866917	0	48	0.0	-83.48	382.49	7.80	-75.68
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)S1	REAL300012866918	0	51	0.0	-84.54	391.56	8.52	-76.02
COCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866919	0	45	0.0	-78.33	379.46	5.18	-73.15
CN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012866920	0	51	0.0	-77.03	413.03	11.00	-66.03
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300012866921	0	48	0.0	-85.09	383.57	8.48	-76.61
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300012866922	0	45	0.0	-80.99	370.03	7.42	-73.57
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866923	0	54	0.0	-81.13	429.91	7.33	-73.80
C[NH+](C)CC1=CC=C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])S1	REAL300012866924	0	43	0.0	-91.48	355.86	4.45	-87.03
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])S1	REAL300012866925	0	53	0.0	-69.58	424.37	11.69	-57.89
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCOC2)S1	REAL300012866926	0	46	0.0	-77.91	373.26	4.99	-72.92
C[NH+](C)CC1=CC=C(CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])S1	REAL300012866927	0	46	0.0	-89.05	366.89	9.10	-79.95
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)S1	REAL300012866928	0	49	0.0	-86.13	414.09	8.21	-77.92
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3CC2(C(=O)[O-])CO3)S1	REAL300012866929	0	44	0.0	-86.20	359.80	6.80	-79.40
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+](C)C)S2)C1	REAL300012866930	0	48	0.0	-89.23	377.53	9.87	-79.36
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866931	0	51	0.0	-79.07	419.63	9.47	-69.60
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300012866932	0	52	0.0	-78.11	414.39	9.94	-68.17
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300012866933	0	45	0.0	-79.65	366.55	6.95	-72.70
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)S1	REAL300012866934	0	58	0.0	-82.03	439.77	8.92	-73.11
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCC2)S1	REAL300012866935	0	51	0.0	-81.37	399.77	8.26	-73.11
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC2)S1	REAL300012866936	0	45	0.0	-79.65	366.55	6.95	-72.70
CC1CCN(C(=O)NCC2=CC=C(C[NH+](C)C)S2)C1C(=O)[O-]	REAL300012866937	0	45	0.0	-86.81	360.96	8.13	-78.68
C=CCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866938	0	42	0.0	-77.69	359.34	6.50	-71.19
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCCCO2)C(=O)[O-])S1	REAL300012866939	0	52	0.0	-78.43	418.41	7.86	-70.57
C[NH+](C)CC1=CC=C(CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)S1	REAL300012866940	0	52	0.0	-63.88	392.50	9.78	-54.10
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)S1	REAL300012866941	0	52	0.0	-83.25	396.07	7.07	-76.18
CC1=CC=CC2=C1CCN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)C2C(=O)[O-]	REAL300012866942	0	52	0.0	-70.02	414.53	11.11	-58.91
C[NH+](C)CC1=CC=C(CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])S1	REAL300012866943	0	46	0.0	-66.24	368.58	8.98	-57.26
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])S1	REAL300012866944	0	52	0.0	-78.11	414.39	9.94	-68.17
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300012866945	0	48	0.0	-75.93	409.98	9.14	-66.79
COC1CC(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)(C(=O)[O-])C1	REAL300012866946	0	46	0.0	-86.04	380.91	5.73	-80.31
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)S1	REAL300012866947	0	42	0.0	-81.55	355.97	6.80	-74.75
CO[C@H]1C[C@](NC(=O)NCC2=CC=C(C[NH+](C)C)S2)(C(=O)[O-])C1	REAL300012866948	0	46	0.0	-80.35	378.98	5.62	-74.73
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)S1	REAL300012866949	0	45	0.0	-80.45	386.54	7.81	-72.64
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866950	0	48	0.0	-86.78	377.68	9.66	-77.12
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])S1	REAL300012866951	0	41	0.0	-71.78	361.52	6.78	-65.00
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300012866952	0	49	0.0	-78.26	400.15	6.17	-72.09
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])COC2)S1	REAL300012866953	0	40	0.0	-77.82	337.96	3.81	-74.01
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])S1	REAL300012866954	0	45	0.0	-78.92	396.69	8.13	-70.79
COCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300012866955	0	52	0.0	-81.00	423.56	8.13	-72.87
CC(C)C(C)(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866956	0	47	0.0	-79.59	365.09	7.04	-72.55
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300012866957	0	43	0.0	-89.68	352.44	9.18	-80.50
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300012866958	0	46	0.0	-87.81	368.62	8.54	-79.27
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866959	0	51	0.0	-61.90	415.33	11.71	-50.19
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300012866960	0	54	0.0	-79.23	426.79	9.26	-69.97
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300012866961	0	51	0.0	-78.21	426.99	9.86	-68.35
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])S1	REAL300012866962	0	51	0.0	-79.77	427.43	9.84	-69.93
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)S1	REAL300012866963	0	52	0.0	-81.11	409.13	8.89	-72.22
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])S1	REAL300012866964	0	54	0.0	-79.74	426.37	9.26	-70.48
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])S1	REAL300012866965	0	54	0.0	-78.48	426.15	9.33	-69.15
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])S1	REAL300012866966	0	52	0.0	-65.07	406.95	9.94	-55.13
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])S1	REAL300012866967	0	52	0.0	-87.58	404.91	9.87	-77.71
COC1=CC=C(CC(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])C=C1	REAL300012866968	0	52	0.0	-78.59	433.45	8.39	-70.20
C=CCSCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866969	0	46	0.0	-75.17	403.48	7.96	-67.21
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])S1	REAL300012866970	0	49	0.0	-77.84	424.40	9.47	-68.37
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012866971	0	47	0.0	-74.90	370.74	8.87	-66.03
COC1(C(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])CCC1	REAL300012866972	0	49	0.0	-75.21	394.02	5.73	-69.48
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)S1	REAL300012866973	0	51	0.0	-81.17	407.14	9.05	-72.12
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)S1	REAL300012866974	0	52	0.0	-84.95	413.44	10.20	-74.75
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)S1	REAL300012866975	0	45	0.0	-86.05	379.37	7.61	-78.44
CC(C)C1=CC=C(C(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])C=C1	REAL300012866977	0	54	0.0	-80.48	442.44	10.06	-70.42
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])S1	REAL300012866978	0	42	0.0	-82.21	352.01	7.76	-74.45
C[NH+](C)CC1=CC=C(CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])S1	REAL300012866979	0	44	0.0	-63.61	360.72	8.74	-54.87
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(C)(C)C2C(=O)[O-])S1	REAL300012866980	0	48	0.0	-87.44	381.28	8.62	-78.82
CCOC1=CC=C(C(NC(=O)NCC2=CC=C(C[NH+](C)C)S2)C(=O)[O-])C=C1	REAL300012866981	0	52	0.0	-79.10	433.90	8.35	-70.75
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])S1	REAL300012866982	0	52	0.0	-88.81	401.71	10.65	-78.16
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)S1	REAL300012866983	0	52	0.0	-80.69	423.69	10.57	-70.12
C[NH+](C)CC1=CC=C(CNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])S1	REAL300012866984	0	52	0.0	-84.54	425.01	9.18	-75.36
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])S1	REAL300012866985	0	48	0.0	-82.04	418.41	9.05	-72.99
CC(C)CCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866986	0	50	0.0	-78.54	406.98	8.12	-70.42
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])S1	REAL300012866987	0	49	0.0	-65.79	391.65	9.46	-56.33
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2CCOC2)C(=O)[O-])S1	REAL300012866988	0	49	0.0	-78.26	400.15	6.17	-72.09
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+](C)C)S2)C1	REAL300012866989	0	46	0.0	-82.95	387.83	9.13	-73.82
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCCC3CC32)S1	REAL300012866990	0	49	0.0	-83.21	384.49	8.66	-74.55
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CCC3CC32)S1	REAL300012866991	0	46	0.0	-84.33	368.52	7.99	-76.34
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300012866992	0	49	0.0	-83.42	390.17	8.40	-75.02
CN(C(=O)NCC1=CC=C(C[NH+](C)C)S1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012866993	0	51	0.0	-77.06	415.43	11.14	-65.92
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)S1	REAL300012866994	0	55	0.0	-65.62	420.71	10.44	-55.18
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCC2)S1	REAL300012866995	0	48	0.0	-79.47	388.20	7.78	-71.69
CO[C@H](C)[C@H](NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866996	0	45	0.0	-78.87	376.28	5.37	-73.50
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012866997	0	45	0.0	-82.55	360.59	7.31	-75.24
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)S1	REAL300012866998	0	48	0.0	-65.46	403.34	10.89	-54.57
C[NH+](C)CC1=CC=C(CNC(=O)N2CC(C)(C)CC2C(=O)[O-])S1	REAL300012866999	0	48	0.0	-65.31	384.97	8.77	-56.54
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])S1	REAL300012867000	0	45	0.0	-84.89	367.32	9.09	-75.80
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(F)(F)C2C(=O)[O-])S1	REAL300012867001	0	42	0.0	-86.70	356.85	8.11	-78.59
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])S1	REAL300012867002	0	48	0.0	-75.93	409.98	9.14	-66.79
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300012867003	0	45	0.0	-78.71	395.27	7.98	-70.73
C[NH+](C)CC1=CC=C(CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])S1	REAL300012867004	0	45	0.0	-76.65	374.36	8.64	-68.01
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)S1	REAL300012867005	0	49	0.0	-83.69	409.60	8.81	-74.88
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])S1	REAL300012867006	0	45	0.0	-78.71	395.27	7.98	-70.73
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300012867007	0	49	0.0	-87.88	382.98	9.07	-78.81
COCCCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012867008	0	48	0.0	-77.70	401.20	5.88	-71.82
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC=C(C[NH+](C)C)S1	REAL300012867009	0	47	0.0	-74.23	378.49	8.87	-65.36
CCOCC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300012867010	0	45	0.0	-79.69	380.13	5.27	-74.42
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])S1	REAL300012867011	0	50	0.0	-78.14	395.99	8.46	-69.68
C[NH+](C)CC1=CC=C(CNC(=O)NC(C(=O)[O-])C2CCCCO2)S1	REAL300012867012	0	49	0.0	-81.66	394.76	6.21	-75.45
C[NH+](C)CC1=CC=C(CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)S1	REAL300012867013	0	49	0.0	-83.18	400.14	9.30	-73.88
C[C@H]1OCCN(C(=O)NCC2=CC=C(C[NH+](C)C)S2)[C@@H]1C(=O)[O-]	REAL300012867014	0	46	0.0	-87.18	367.88	7.56	-79.62
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])S1	REAL300012867015	0	48	0.0	-78.16	387.97	8.95	-69.21
C[NH+](C)CC1=CC=C(CNC(=O)NC(CCC#N)C(=O)[O-])S1	REAL300012867016	0	42	0.0	-78.95	366.88	6.55	-72.40
C[NH+](C)CC1=CC=C(CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)S1	REAL300012867017	0	45	0.0	-66.85	384.62	9.02	-57.83
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])S1	REAL300012867018	0	56	0.0	-88.09	418.04	9.54	-78.55
C[NH+](C)CC1=CC=C(CNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])S1	REAL300012867019	0	47	0.0	-75.91	416.19	7.69	-68.22
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC=C(C[NH+](C)C)S2)C1	REAL300012867020	0	49	0.0	-81.56	399.14	8.00	-73.56
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC(C3CC3)O2)CC1	REAL300012867181	0	61	0.0	-66.93	458.89	7.88	-59.05
COC1(OC)CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012867731	0	58	0.0	-63.55	442.09	5.39	-58.16
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(CC(F)F)CCC2)CC1	REAL300012868498	0	56	0.0	-61.67	425.68	7.83	-53.84
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CN=CC3=C2CCC3)CC1	REAL300012868786	0	56	0.0	-65.59	431.08	7.49	-58.10
CC1=CC=CC=C1C(CF)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012869625	0	56	0.0	-65.93	429.31	8.88	-57.05
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3(CCOC3)O2)CC1	REAL300012869922	0	59	0.0	-71.96	443.52	4.77	-67.19
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC23CCC(CC2)C3(C)C)CC1	REAL300012870233	0	66	0.0	-62.27	470.92	9.44	-52.83
CC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CS1	REAL300012870473	0	50	0.0	-62.44	403.05	7.16	-55.28
COCCN1CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1=O	REAL300012871634	0	61	0.0	-69.07	470.88	5.20	-63.87
CC(C)C[C@H](NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872062	0	65	0.0	-76.52	457.54	7.66	-68.86
CC(C)C[C@H](NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872062	1	65	0.0	-66.81	455.05	7.49	-59.32
C=CCOCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872063	0	64	0.0	-77.57	461.99	5.86	-71.71
C=CCOCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872063	1	64	0.0	-64.30	463.66	6.01	-58.29
C=CC(C)C(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872064	0	63	0.0	-77.57	441.60	6.94	-70.63
C=CC(C)C(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872064	1	63	0.0	-67.14	441.70	7.00	-60.14
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCC(C)CC3C(=O)[O-])CCCC2)CC1	REAL300012872065	0	66	0.0	-75.30	446.75	9.89	-65.41
CC(C)N1CC[NH+](C2(CNC(=O)N3CCC(C)CC3C(=O)[O-])CCCC2)CC1	REAL300012872065	1	66	0.0	-76.23	438.65	9.58	-66.65
CCCN(CC(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872066	0	62	0.0	-63.96	434.80	8.63	-55.33
CCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872066	1	62	0.0	-50.80	436.61	8.75	-42.05
CC(C)[NH+]1CCN(C2(CNC(=O)N(C(C)C(=O)[O-])C3CCC3)CCCC2)CC1	REAL300012872067	0	66	0.0	-63.69	450.14	9.12	-54.57
CC(C)N1CC[NH+](C2(CNC(=O)N(C(C)C(=O)[O-])C3CCC3)CCCC2)CC1	REAL300012872067	1	66	0.0	-47.33	450.35	9.24	-38.09
CCCN(C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(CC)C(=O)[O-]	REAL300012872068	0	68	0.0	-72.54	462.89	10.24	-62.30
CCCN(C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(CC)C(=O)[O-]	REAL300012872068	1	68	0.0	-60.20	462.80	9.69	-50.51
CC(C)C(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872069	0	62	0.0	-69.44	432.41	6.65	-62.79
CC(C)C(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872069	1	62	0.0	-65.68	431.36	6.71	-58.97
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCCCC3C(=O)[O-])CCCC2)CC1	REAL300012872070	0	63	0.0	-75.70	426.64	9.47	-66.23
CC(C)N1CC[NH+](C2(CNC(=O)N3CCCCC3C(=O)[O-])CCCC2)CC1	REAL300012872070	1	63	0.0	-75.89	424.52	9.22	-66.67
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCSCC3C(=O)[O-])CCCC2)CC1	REAL300012872071	0	61	0.0	-72.92	426.61	9.50	-63.42
CC(C)N1CC[NH+](C2(CNC(=O)N3CCSCC3C(=O)[O-])CCCC2)CC1	REAL300012872071	1	61	0.0	-73.39	424.57	9.14	-64.25
CC(C)[NH+]1CCN(C2(CNC(=O)NC3(C(=O)[O-])CCCCC3)CCCC2)CC1	REAL300012872072	0	66	0.0	-75.48	446.10	8.45	-67.03
CC(C)N1CC[NH+](C2(CNC(=O)NC3(C(=O)[O-])CCCCC3)CCCC2)CC1	REAL300012872072	1	66	0.0	-66.84	443.70	8.18	-58.66
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCCC3C(=O)[O-])CCCC2)CC1	REAL300012872073	0	60	0.0	-83.70	414.14	7.97	-75.73
CC(C)N1CC[NH+](C2(CNC(=O)N3CCCC3C(=O)[O-])CCCC2)CC1	REAL300012872073	1	60	0.0	-73.56	412.93	7.89	-65.67
CC(C)[NH+]1CCN(C2(CNC(=O)NC3(C(=O)[O-])CCCC3)CCCC2)CC1	REAL300012872074	0	63	0.0	-72.05	429.88	7.50	-64.55
CC(C)N1CC[NH+](C2(CNC(=O)NC3(C(=O)[O-])CCCC3)CCCC2)CC1	REAL300012872074	1	63	0.0	-66.84	432.19	7.29	-59.55
CC(C)[NH+]1CCN(C2(CNC(=O)NCC(=O)[O-])CCCC2)CC1	REAL300012872075	0	53	0.0	-60.88	372.75	4.22	-56.66
CC(C)N1CC[NH+](C2(CNC(=O)NCC(=O)[O-])CCCC2)CC1	REAL300012872075	1	53	0.0	-54.95	374.56	4.32	-50.63
CCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872076	0	59	0.0	-76.16	415.37	6.07	-70.09
CCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872076	1	59	0.0	-63.27	417.18	6.18	-57.09
CC(C)C(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872077	0	62	0.0	-69.44	432.41	6.65	-62.79
CC(C)C(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872077	1	62	0.0	-65.68	431.36	6.71	-58.97
CC(C)[NH+]1CCN(C2(CNC(=O)N(C)CC(=O)[O-])CCCC2)CC1	REAL300012872078	0	56	0.0	-68.52	391.49	6.89	-61.63
CC(C)N1CC[NH+](C2(CNC(=O)N(C)CC(=O)[O-])CCCC2)CC1	REAL300012872078	1	56	0.0	-62.80	393.30	7.01	-55.79
CC(C)[NH+]1CCN(C2(CNC(=O)NC(C)C(=O)[O-])CCCC2)CC1	REAL300012872079	0	56	0.0	-60.23	393.54	5.04	-55.19
CC(C)N1CC[NH+](C2(CNC(=O)NC(C)C(=O)[O-])CCCC2)CC1	REAL300012872079	1	56	0.0	-55.54	395.67	5.12	-50.42
CCC(C)C(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872080	0	65	0.0	-77.67	450.35	7.28	-70.39
CCC(C)C(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872080	1	65	0.0	-68.19	452.17	7.38	-60.81
CC(C)[NH+]1CCN(C2(CNC(=O)N(C)CC(=O)[O-])CCCC2)CC1	REAL300012872081	0	56	0.0	-68.52	391.49	6.89	-61.63
CC(C)N1CC[NH+](C2(CNC(=O)N(C)CC(=O)[O-])CCCC2)CC1	REAL300012872081	1	56	0.0	-62.80	393.30	7.01	-55.79
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCCCC3C(=O)[O-])CCCC2)CC1	REAL300012872082	0	63	0.0	-75.70	426.64	9.47	-66.23
CC(C)N1CC[NH+](C2(CNC(=O)N3CCCCC3C(=O)[O-])CCCC2)CC1	REAL300012872082	1	63	0.0	-75.89	424.52	9.22	-66.67
CCCC(C)(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872083	0	65	0.0	-77.36	441.00	7.20	-70.16
CCCC(C)(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872083	1	65	0.0	-62.79	442.82	7.30	-55.49
CC(C)N(CC(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872084	0	62	0.0	-68.55	422.99	8.13	-60.42
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872084	1	62	0.0	-52.02	425.52	8.26	-43.76
CC(C)[NH+]1CCN(C2(CNC(=O)N(CC(=O)[O-])C3CC3)CCCC2)CC1	REAL300012872085	0	60	0.0	-62.29	417.29	8.69	-53.60
CC(C)N1CC[NH+](C2(CNC(=O)N(CC(=O)[O-])C3CC3)CCCC2)CC1	REAL300012872085	1	60	0.0	-63.13	421.32	8.42	-54.71
C=CCN(CC(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872086	0	60	0.0	-63.60	426.11	8.43	-55.17
C=CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872086	1	60	0.0	-50.52	427.92	8.55	-41.97
CC(C)CN(CC(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872087	0	65	0.0	-64.09	449.46	9.15	-54.94
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872087	1	65	0.0	-50.73	451.27	9.27	-41.46
CC(C)[NH+]1CCN(C2(CNC(=O)NC(C)(C)C(=O)[O-])CCCC2)CC1	REAL300012872088	0	59	0.0	-59.76	406.12	5.44	-54.32
CC(C)N1CC[NH+](C2(CNC(=O)NC(C)(C)C(=O)[O-])CCCC2)CC1	REAL300012872088	1	59	0.0	-54.20	407.93	5.55	-48.65
CC(C)[NH+]1CCN(C2(CNC(=O)NC(C)(C(=O)[O-])C3CC3)CCCC2)CC1	REAL300012872089	0	63	0.0	-68.57	429.75	7.47	-61.10
CC(C)N1CC[NH+](C2(CNC(=O)NC(C)(C(=O)[O-])C3CC3)CCCC2)CC1	REAL300012872089	1	63	0.0	-67.70	430.76	7.30	-60.40
CC(C)[NH+]1CCN(C2(CNC(=O)NC3(C(=O)[O-])CCCCC3)CCCC2)CC1	REAL300012872090	0	66	0.0	-75.48	446.10	8.45	-67.03
CC(C)N1CC[NH+](C2(CNC(=O)NC3(C(=O)[O-])CCCCC3)CCCC2)CC1	REAL300012872090	1	66	0.0	-66.84	443.70	8.18	-58.66
CC(C)N(CC(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872091	0	62	0.0	-68.55	422.99	8.13	-60.42
CC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872091	1	62	0.0	-52.02	425.52	8.26	-43.76
CCCN(CC(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872092	0	62	0.0	-63.96	434.80	8.63	-55.33
CCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872092	1	62	0.0	-50.80	436.61	8.75	-42.05
CCN(CC(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872093	0	59	0.0	-68.75	413.30	7.87	-60.88
CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872093	1	59	0.0	-62.93	415.11	7.99	-54.94
CC[C@H](C)[C@H](NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872094	0	65	0.0	-77.76	447.83	7.20	-70.56
CC[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872094	1	65	0.0	-66.63	446.76	7.11	-59.52
CC(C)[NH+]1CCN(C2(CNC(=O)NC3(C(=O)[O-])CCCC3)CCCC2)CC1	REAL300012872095	0	63	0.0	-72.05	429.88	7.50	-64.55
CC(C)N1CC[NH+](C2(CNC(=O)NC3(C(=O)[O-])CCCC3)CCCC2)CC1	REAL300012872095	1	63	0.0	-66.84	432.19	7.29	-59.55
CCC(C)(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872096	0	62	0.0	-76.93	419.51	6.45	-70.48
CCC(C)(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872096	1	62	0.0	-62.58	421.32	6.55	-56.03
CC(C)[NH+]1CCN(C2(CNC(=O)N[C@@H](C)C(=O)[O-])CCCC2)CC1	REAL300012872097	0	56	0.0	-62.22	397.21	5.36	-56.86
CC(C)N1CC[NH+](C2(CNC(=O)N[C@@H](C)C(=O)[O-])CCCC2)CC1	REAL300012872097	1	56	0.0	-56.22	395.19	5.18	-51.04
CCN(CC(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872098	0	59	0.0	-68.75	413.30	7.87	-60.88
CCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872098	1	59	0.0	-62.93	415.11	7.99	-54.94
CC(C)[NH+]1CCN(C2(CNC(=O)N[C@H](C)C(=O)[O-])CCCC2)CC1	REAL300012872099	0	56	0.0	-59.65	397.52	5.32	-54.33
CC(C)N1CC[NH+](C2(CNC(=O)N[C@H](C)C(=O)[O-])CCCC2)CC1	REAL300012872099	1	56	0.0	-54.94	395.35	5.15	-49.79
CC(C)[NH+]1CCN(C2(CNC(=O)NC3(C(=O)[O-])CC3)CCCC2)CC1	REAL300012872100	0	57	0.0	-77.25	399.70	6.26	-70.99
CC(C)N1CC[NH+](C2(CNC(=O)NC3(C(=O)[O-])CC3)CCCC2)CC1	REAL300012872100	1	57	0.0	-69.45	398.52	6.17	-63.28
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCOCC3C(=O)[O-])CCCC2)CC1	REAL300012872101	0	61	0.0	-72.50	417.37	6.96	-65.54
CC(C)N1CC[NH+](C2(CNC(=O)N3CCOCC3C(=O)[O-])CCCC2)CC1	REAL300012872101	1	61	0.0	-71.23	415.16	6.44	-64.79
CC(C)[NH+]1CCN(C2(CNC(=O)NC(C(=O)[O-])C3CC3)CCCC2)CC1	REAL300012872102	0	60	0.0	-76.26	428.77	6.92	-69.34
CC(C)N1CC[NH+](C2(CNC(=O)NC(C(=O)[O-])C3CC3)CCCC2)CC1	REAL300012872102	1	60	0.0	-63.32	421.41	6.65	-56.67
COCCN(CC(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872103	0	63	0.0	-64.30	444.68	7.05	-57.25
COCCN(CC(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872103	1	63	0.0	-51.06	446.49	7.18	-43.88
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCC[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300012872104	0	60	0.0	-77.10	419.61	7.87	-69.23
CC(C)N1CC[NH+](C2(CNC(=O)N3CCC[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300012872104	1	60	0.0	-69.99	409.77	7.29	-62.70
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300012872105	0	63	0.0	-84.34	429.64	9.17	-75.17
CC(C)N1CC[NH+](C2(CNC(=O)N3CCCC[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300012872105	1	63	0.0	-73.77	423.87	8.89	-64.88
CC(C)[NH+]1CCN(C2(CNC(=O)N(C)[C@H](C)C(=O)[O-])CCCC2)CC1	REAL300012872106	0	59	0.0	-65.50	407.11	7.18	-58.32
CC(C)N1CC[NH+](C2(CNC(=O)N(C)[C@H](C)C(=O)[O-])CCCC2)CC1	REAL300012872106	1	59	0.0	-59.49	408.21	7.25	-52.24
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCC[C@H]3C(=O)[O-])CCCC2)CC1	REAL300012872107	0	60	0.0	-83.36	417.73	8.27	-75.09
CC(C)N1CC[NH+](C2(CNC(=O)N3CCC[C@H]3C(=O)[O-])CCCC2)CC1	REAL300012872107	1	60	0.0	-72.88	409.31	7.65	-65.23
CC(C)[NH+]1CCN(C2(CNC(=O)NC3(C(=O)[O-])CCC3)CCCC2)CC1	REAL300012872108	0	60	0.0	-71.79	417.30	7.06	-64.73
CC(C)N1CC[NH+](C2(CNC(=O)NC3(C(=O)[O-])CCC3)CCCC2)CC1	REAL300012872108	1	60	0.0	-68.31	418.31	6.88	-61.43
C=CCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872109	0	60	0.0	-75.53	427.85	6.53	-69.00
C=CCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872109	1	60	0.0	-62.91	430.46	6.63	-56.28
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCCC3(C)C(=O)[O-])CCCC2)CC1	REAL300012872110	0	63	0.0	-84.00	434.87	8.83	-75.17
CC(C)N1CC[NH+](C2(CNC(=O)N3CCCC3(C)C(=O)[O-])CCCC2)CC1	REAL300012872110	1	63	0.0	-73.01	426.48	8.19	-64.82
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCCCCC3C(=O)[O-])CCCC2)CC1	REAL300012872111	0	66	0.0	-73.43	441.07	10.14	-63.29
CC(C)N1CC[NH+](C2(CNC(=O)N3CCCCCC3C(=O)[O-])CCCC2)CC1	REAL300012872111	1	66	0.0	-69.61	438.86	9.76	-59.85
CC(C)[NH+]1CCN(C2(CNC(=O)NC(C(=O)[O-])C3CC3)CCCC2)CC1	REAL300012872112	0	60	0.0	-76.26	428.77	6.92	-69.34
CC(C)N1CC[NH+](C2(CNC(=O)NC(C(=O)[O-])C3CC3)CCCC2)CC1	REAL300012872112	1	60	0.0	-63.32	421.41	6.65	-56.67
CC(C)[NH+]1CCN(C2(CNC(=O)N(C)C(C)C(=O)[O-])CCCC2)CC1	REAL300012872113	0	59	0.0	-71.11	405.46	7.12	-63.99
CC(C)N1CC[NH+](C2(CNC(=O)N(C)C(C)C(=O)[O-])CCCC2)CC1	REAL300012872113	1	59	0.0	-63.18	407.28	7.25	-55.93
CCCCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872114	0	65	0.0	-75.85	457.53	7.63	-68.22
CCCCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872114	1	65	0.0	-63.12	460.18	7.73	-55.39
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])CCCC2)CC1	REAL300012872115	0	63	0.0	-73.22	428.09	8.55	-64.67
CC(C)N1CC[NH+](C2(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])CCCC2)CC1	REAL300012872115	1	63	0.0	-73.95	433.05	8.63	-65.32
CC(C)[NH+]1CCN(C2(CNC(=O)N(CC(=O)[O-])C3CCCC3)CCCC2)CC1	REAL300012872116	0	66	0.0	-62.98	453.30	9.75	-53.23
CC(C)N1CC[NH+](C2(CNC(=O)N(CC(=O)[O-])C3CCCC3)CCCC2)CC1	REAL300012872116	1	66	0.0	-49.98	448.45	9.36	-40.62
COCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872117	0	60	0.0	-77.58	427.23	4.30	-73.28
COCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872117	1	60	0.0	-64.16	429.04	4.42	-59.74
CCCCCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872118	0	68	0.0	-75.90	479.03	8.41	-67.49
CCCCCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872118	1	68	0.0	-62.52	481.43	8.56	-53.96
CC(C)[NH+]1CCN(C2(CNC(=O)N(C)C3(C(=O)[O-])CCCC3)CCCC2)CC1	REAL300012872119	0	66	0.0	-73.53	438.85	9.12	-64.41
CC(C)N1CC[NH+](C2(CNC(=O)N(C)C3(C(=O)[O-])CCCC3)CCCC2)CC1	REAL300012872119	1	66	0.0	-74.40	442.65	8.99	-65.41
CC(C)[NH+]1CCN(C2(CNC(=O)N(C(C)C(=O)[O-])C3CC3)CCCC2)CC1	REAL300012872120	0	63	0.0	-61.97	432.39	8.78	-53.19
CC(C)N1CC[NH+](C2(CNC(=O)N(C(C)C(=O)[O-])C3CC3)CCCC2)CC1	REAL300012872120	1	63	0.0	-60.05	426.14	8.28	-51.77
CCC(C(=O)[O-])N(C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C1CC1	REAL300012872121	0	66	0.0	-62.76	452.27	10.03	-52.73
CCC(C(=O)[O-])N(C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C1CC1	REAL300012872121	1	66	0.0	-46.37	454.33	9.69	-36.68
COCC(C)(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872122	0	63	0.0	-81.20	437.75	5.73	-75.47
COCC(C)(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872122	1	63	0.0	-67.12	439.56	5.82	-61.30
CCOCC(C(=O)[O-])N(C)C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872123	0	66	0.0	-72.38	457.13	7.56	-64.82
CCOCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872123	1	66	0.0	-60.79	459.56	7.49	-53.30
CC(C)CN(CC(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872124	0	65	0.0	-64.09	449.46	9.15	-54.94
CC(C)CN(CC(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872124	1	65	0.0	-50.73	451.27	9.27	-41.46
CC(C)[NH+]1CCN(C2(CNC(=O)N(CC(=O)[O-])C3CC3)CCCC2)CC1	REAL300012872125	0	60	0.0	-62.29	417.29	8.69	-53.60
CC(C)N1CC[NH+](C2(CNC(=O)N(CC(=O)[O-])C3CC3)CCCC2)CC1	REAL300012872125	1	60	0.0	-63.13	421.32	8.42	-54.71
CC(C)[NH+]1CCN(C2(CNC(=O)NC3(C(=O)[O-])CCOC3)CCCC2)CC1	REAL300012872126	0	61	0.0	-67.17	420.52	4.89	-62.28
CC(C)N1CC[NH+](C2(CNC(=O)NC3(C(=O)[O-])CCOC3)CCCC2)CC1	REAL300012872126	1	61	0.0	-66.36	422.83	4.68	-61.68
CC(C)[NH+]1CCN(C2(CNC(=O)NC3(C(=O)[O-])CCOCC3)CCCC2)CC1	REAL300012872127	0	64	0.0	-72.92	436.31	5.80	-67.12
CC(C)N1CC[NH+](C2(CNC(=O)NC3(C(=O)[O-])CCOCC3)CCCC2)CC1	REAL300012872127	1	64	0.0	-66.33	435.12	5.68	-60.65
C=CCCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872128	0	63	0.0	-75.52	449.68	7.40	-68.12
C=CCCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872128	1	63	0.0	-63.03	451.49	7.50	-55.53
CC(C)[NH+]1CCN(C2(CNC(=O)NC(CF)C(=O)[O-])CCCC2)CC1	REAL300012872129	0	56	0.0	-60.63	397.16	5.05	-55.58
CC(C)N1CC[NH+](C2(CNC(=O)NC(CF)C(=O)[O-])CCCC2)CC1	REAL300012872129	1	56	0.0	-52.75	398.97	5.16	-47.59
CC(C)[NH+]1CCN(C2(CNC(=O)N(C)C(C)C(=O)[O-])CCCC2)CC1	REAL300012872130	0	59	0.0	-71.11	405.46	7.12	-63.99
CC(C)N1CC[NH+](C2(CNC(=O)N(C)C(C)C(=O)[O-])CCCC2)CC1	REAL300012872130	1	59	0.0	-63.18	407.28	7.25	-55.93
CCC(CC)(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872131	0	65	0.0	-71.06	435.89	7.34	-63.72
CCC(CC)(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872131	1	65	0.0	-68.26	437.99	7.44	-60.82
CCC(C)N(CC(=O)[O-])C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872132	0	65	0.0	-62.59	446.62	9.32	-53.27
CCC(C)N(CC(=O)[O-])C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872132	1	65	0.0	-48.68	448.02	9.48	-39.20
CCC(COC)(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872133	0	66	0.0	-75.50	454.19	6.64	-68.86
CCC(COC)(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872133	1	66	0.0	-68.54	456.00	6.75	-61.79
CC(C)[NH+]1CCN(C2(CNC(=O)NC(CC3CC3)C(=O)[O-])CCCC2)CC1	REAL300012872134	0	63	0.0	-76.24	446.98	7.61	-68.63
CC(C)N1CC[NH+](C2(CNC(=O)NC(CC3CC3)C(=O)[O-])CCCC2)CC1	REAL300012872134	1	63	0.0	-66.95	448.79	7.72	-59.23
COCCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872135	0	63	0.0	-76.31	449.04	5.13	-71.18
COCCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872135	1	63	0.0	-63.42	450.85	5.24	-58.18
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872136	0	68	0.0	-72.65	463.61	9.54	-63.11
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872136	1	68	0.0	-61.08	467.91	9.80	-51.28
CC(C)[NH+]1CCN(C2(CNC(=O)NC(CC(F)F)C(=O)[O-])CCCC2)CC1	REAL300012872137	0	59	0.0	-70.73	425.99	6.58	-64.15
CC(C)N1CC[NH+](C2(CNC(=O)NC(CC(F)F)C(=O)[O-])CCCC2)CC1	REAL300012872137	1	59	0.0	-63.43	422.92	6.03	-57.40
CCCN(C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(C)C(=O)[O-]	REAL300012872138	0	65	0.0	-65.22	445.03	8.70	-56.52
CCCN(C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(C)C(=O)[O-]	REAL300012872138	1	65	0.0	-63.45	449.98	9.46	-53.99
CC(C)[NH+]1CCN(C2(CNC(=O)NC(CCF)C(=O)[O-])CCCC2)CC1	REAL300012872139	0	59	0.0	-74.46	421.96	6.20	-68.26
CC(C)N1CC[NH+](C2(CNC(=O)NC(CCF)C(=O)[O-])CCCC2)CC1	REAL300012872139	1	59	0.0	-61.73	423.53	6.38	-55.35
CC(C)[NH+]1CCN(C2(CNC(=O)NC(C)(CCF)C(=O)[O-])CCCC2)CC1	REAL300012872140	0	62	0.0	-73.68	426.10	6.58	-67.10
CC(C)N1CC[NH+](C2(CNC(=O)NC(C)(CCF)C(=O)[O-])CCCC2)CC1	REAL300012872140	1	62	0.0	-59.87	427.91	6.68	-53.19
CC(C)[NH+]1CCN(C2(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CCCC2)CC1	REAL300012872141	0	59	0.0	-70.63	409.13	7.43	-63.20
CC(C)N1CC[NH+](C2(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CCCC2)CC1	REAL300012872141	1	59	0.0	-63.16	407.28	7.25	-55.91
CC(C)[NH+]1CCN(C2(CNC(=O)N3CC4CC3(C(=O)[O-])C4)CCCC2)CC1	REAL300012872142	0	61	0.0	-77.67	420.71	8.95	-68.72
CC(C)N1CC[NH+](C2(CNC(=O)N3CC4CC3(C(=O)[O-])C4)CCCC2)CC1	REAL300012872142	1	61	0.0	-77.79	420.53	8.51	-69.28
CC(C)[NH+]1CCN(C2(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CCCC2)CC1	REAL300012872143	0	65	0.0	-69.56	446.94	7.45	-62.11
CC(C)N1CC[NH+](C2(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CCCC2)CC1	REAL300012872143	1	65	0.0	-68.36	447.97	7.28	-61.08
C=C(C)CC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872144	0	63	0.0	-76.81	449.22	7.26	-69.55
C=C(C)CC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872144	1	63	0.0	-63.93	450.33	7.48	-56.45
CC(C)[NH+]1CCN(C2(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)CCCC2)CC1	REAL300012872145	0	64	0.0	-91.04	439.39	9.82	-81.22
CC(C)N1CC[NH+](C2(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)CCCC2)CC1	REAL300012872145	1	64	0.0	-80.44	437.85	9.54	-70.90
CC(C)[NH+]1CCN(C2(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CCCC2)CC1	REAL300012872146	0	60	0.0	-82.33	417.86	7.99	-74.34
CC(C)N1CC[NH+](C2(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CCCC2)CC1	REAL300012872146	1	60	0.0	-70.89	415.78	7.74	-63.15
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2(N3CC[NH+](C(C)C)CC3)CCCC2)C1	REAL300012872147	0	61	0.0	-83.75	429.60	8.12	-75.63
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2([NH+]3CCN(C(C)C)CC3)CCCC2)C1	REAL300012872147	1	61	0.0	-73.10	423.18	7.69	-65.41
CC(C)C[C@H](NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872148	0	65	0.0	-76.52	457.54	7.66	-68.86
CC(C)C[C@H](NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872148	1	65	0.0	-66.81	455.05	7.49	-59.32
CC(C)[NH+]1CCN(C2(CNC(=O)NC(CC3CC3)C(=O)[O-])CCCC2)CC1	REAL300012872149	0	63	0.0	-76.24	446.98	7.61	-68.63
CC(C)N1CC[NH+](C2(CNC(=O)NC(CC3CC3)C(=O)[O-])CCCC2)CC1	REAL300012872149	1	63	0.0	-66.95	448.79	7.72	-59.23
CSCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872150	0	60	0.0	-73.18	438.84	6.48	-66.70
CSCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872150	1	60	0.0	-60.12	440.64	6.59	-53.53
COC[C@H](NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872151	0	60	0.0	-70.37	428.03	4.59	-65.78
COC[C@H](NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872151	1	60	0.0	-67.75	428.55	4.40	-63.35
CC[C@H](NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872152	0	59	0.0	-75.70	419.04	6.37	-69.33
CC[C@H](NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872152	1	59	0.0	-67.16	417.18	6.17	-60.99
CCC(C)CC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872153	0	68	0.0	-76.97	472.30	8.03	-68.94
CCC(C)CC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872153	1	68	0.0	-63.71	474.01	8.18	-55.53
C=CCCCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872154	0	66	0.0	-75.29	470.35	8.19	-67.10
C=CCCCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872154	1	66	0.0	-62.75	472.75	8.34	-54.41
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCSCC3C(=O)[O-])CCCC2)CC1	REAL300012872155	0	61	0.0	-72.92	426.61	9.50	-63.42
CC(C)N1CC[NH+](C2(CNC(=O)N3CCSCC3C(=O)[O-])CCCC2)CC1	REAL300012872155	1	61	0.0	-73.39	424.57	9.14	-64.25
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCC[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300012872156	0	60	0.0	-77.10	419.61	7.87	-69.23
CC(C)N1CC[NH+](C2(CNC(=O)N3CCC[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300012872156	1	60	0.0	-69.99	409.77	7.29	-62.70
CCCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872157	0	62	0.0	-76.17	436.87	6.83	-69.34
CCCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872157	1	62	0.0	-62.67	438.44	7.00	-55.67
CC(C)[C@@H](NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872158	0	62	0.0	-69.78	428.04	6.65	-63.13
CC(C)[C@@H](NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872158	1	62	0.0	-63.58	434.22	6.76	-56.82
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])CCCC2)CC1	REAL300012872159	0	64	0.0	-77.57	436.23	9.83	-67.74
CC(C)N1CC[NH+](C2(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])CCCC2)CC1	REAL300012872159	1	64	0.0	-78.31	430.32	9.16	-69.15
CCN(C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(C)(C)C(=O)[O-]	REAL300012872160	0	65	0.0	-73.87	440.09	8.85	-65.02
CCN(C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(C)(C)C(=O)[O-]	REAL300012872160	1	65	0.0	-66.08	441.84	8.87	-57.21
CCCN(C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(C)C(=O)[O-]	REAL300012872161	0	65	0.0	-65.22	445.03	8.70	-56.52
CCCN(C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(C)C(=O)[O-]	REAL300012872161	1	65	0.0	-63.45	449.98	9.46	-53.99
CC(C)[NH+]1CCN(C2(CNC(=O)N(C)C(C)(C)C(=O)[O-])CCCC2)CC1	REAL300012872162	0	62	0.0	-73.65	420.60	7.94	-65.71
CC(C)N1CC[NH+](C2(CNC(=O)N(C)C(C)(C)C(=O)[O-])CCCC2)CC1	REAL300012872162	1	62	0.0	-66.71	422.29	8.13	-58.58
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCC[C@H]3C(=O)[O-])CCCC2)CC1	REAL300012872163	0	60	0.0	-83.36	417.73	8.27	-75.09
CC(C)N1CC[NH+](C2(CNC(=O)N3CCC[C@H]3C(=O)[O-])CCCC2)CC1	REAL300012872163	1	60	0.0	-72.88	409.31	7.65	-65.23
CC(C)[NH+]1CCN(C2(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300012872164	0	61	0.0	-78.01	430.89	4.47	-73.54
CC(C)N1CC[NH+](C2(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300012872164	1	61	0.0	-73.03	422.40	3.80	-69.23
CCC[C@@H](NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872165	0	62	0.0	-67.33	440.29	7.20	-60.13
CCC[C@@H](NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872165	1	62	0.0	-62.67	438.44	7.00	-55.67
C=CCCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872166	0	63	0.0	-75.52	449.68	7.40	-68.12
C=CCCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872166	1	63	0.0	-63.03	451.49	7.50	-55.53
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])CCCC2)CC1	REAL300012872167	0	63	0.0	-73.12	428.05	8.56	-64.56
CC(C)N1CC[NH+](C2(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])CCCC2)CC1	REAL300012872167	1	63	0.0	-69.28	433.02	8.64	-60.64
CC(C)[C@H](NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872168	0	62	0.0	-76.13	431.73	6.70	-69.43
CC(C)[C@H](NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872168	1	62	0.0	-67.27	429.87	6.50	-60.77
CC(C)[NH+]1CCN(C2(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CCCC2)CC1	REAL300012872169	0	59	0.0	-70.63	409.13	7.43	-63.20
CC(C)N1CC[NH+](C2(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CCCC2)CC1	REAL300012872169	1	59	0.0	-63.16	407.28	7.25	-55.91
CCC[C@H](NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872170	0	62	0.0	-75.81	440.54	7.14	-68.67
CCC[C@H](NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872170	1	62	0.0	-67.05	438.68	6.94	-60.11
CCN(C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(C)C(=O)[O-]	REAL300012872171	0	62	0.0	-65.05	422.57	7.80	-57.25
CCN(C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(C)C(=O)[O-]	REAL300012872171	1	62	0.0	-59.96	424.38	7.92	-52.04
CC(C)[NH+]1CCN(C2(CNC(=O)N(CC(=O)[O-])C3CCCC3)CCCC2)CC1	REAL300012872172	0	66	0.0	-62.98	453.30	9.75	-53.23
CC(C)N1CC[NH+](C2(CNC(=O)N(CC(=O)[O-])C3CCCC3)CCCC2)CC1	REAL300012872172	1	66	0.0	-49.98	448.45	9.36	-40.62
CC(C)[NH+]1CCN(C2(CNC(=O)N(C)CC(C)C(=O)[O-])CCCC2)CC1	REAL300012872173	0	62	0.0	-72.03	426.59	7.56	-64.47
CC(C)N1CC[NH+](C2(CNC(=O)N(C)CC(C)C(=O)[O-])CCCC2)CC1	REAL300012872173	1	62	0.0	-71.59	428.65	7.91	-63.68
CC[C@H](C)[C@H](NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872174	0	65	0.0	-77.76	447.83	7.20	-70.56
CC[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872174	1	65	0.0	-66.63	446.76	7.11	-59.52
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872175	0	62	0.0	-71.68	429.42	8.51	-63.17
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872175	1	62	0.0	-63.97	427.56	8.33	-55.64
CC(C)[NH+]1CCN(C2(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)CCCC2)CC1	REAL300012872176	0	64	0.0	-72.70	448.28	4.39	-68.31
CC(C)N1CC[NH+](C2(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)CCCC2)CC1	REAL300012872176	1	64	0.0	-68.39	450.59	4.17	-64.22
CC(C)[NH+]1CCN(C2(CNC(=O)NC3(C(=O)[O-])CCC(C)C3)CCCC2)CC1	REAL300012872177	0	66	0.0	-72.14	450.95	8.12	-64.02
CC(C)N1CC[NH+](C2(CNC(=O)NC3(C(=O)[O-])CCC(C)C3)CCCC2)CC1	REAL300012872177	1	66	0.0	-67.06	453.25	7.91	-59.15
COCCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872178	0	63	0.0	-76.31	449.04	5.13	-71.18
COCCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872178	1	63	0.0	-63.42	450.85	5.24	-58.18
CC(C)[NH+]1CCN(C2(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)CCCC2)CC1	REAL300012872179	0	66	0.0	-72.36	453.74	8.77	-63.59
CC(C)N1CC[NH+](C2(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)CCCC2)CC1	REAL300012872179	1	66	0.0	-68.81	451.74	8.39	-60.42
CC(C)[NH+]1CCN(C2(CNC(=O)NC(C(=O)[O-])C3(C)CC3)CCCC2)CC1	REAL300012872180	0	63	0.0	-72.63	440.20	7.60	-65.03
CC(C)N1CC[NH+](C2(CNC(=O)NC(C(=O)[O-])C3(C)CC3)CCCC2)CC1	REAL300012872180	1	63	0.0	-65.58	440.79	7.54	-58.04
CC(C)[NH+]1CCN(C2(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300012872181	0	61	0.0	-82.54	429.53	4.67	-77.87
CC(C)N1CC[NH+](C2(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300012872181	1	61	0.0	-75.10	420.00	4.12	-70.98
CC(C)[NH+]1CCN(C2(CNC(=O)NC(C(=O)[O-])C3CCOC3)CCCC2)CC1	REAL300012872182	0	64	0.0	-73.97	451.27	5.42	-68.55
CC(C)N1CC[NH+](C2(CNC(=O)NC(C(=O)[O-])C3CCOC3)CCCC2)CC1	REAL300012872182	1	64	0.0	-61.47	444.35	5.18	-56.29
CC(C)[NH+]1CCN(C2(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])CCCC2)CC1	REAL300012872183	0	64	0.0	-88.33	436.51	9.13	-79.20
CC(C)N1CC[NH+](C2(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])CCCC2)CC1	REAL300012872183	1	64	0.0	-77.48	430.52	8.83	-68.65
CC(C)[NH+]1CCN(C2(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)CCCC2)CC1	REAL300012872184	0	62	0.0	-73.15	429.15	7.08	-66.07
CC(C)N1CC[NH+](C2(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)CCCC2)CC1	REAL300012872184	1	62	0.0	-73.53	430.09	6.98	-66.55
CC(C)[NH+]1CCN(C2(CNC(=O)N3CC(C)CCC3C(=O)[O-])CCCC2)CC1	REAL300012872185	0	66	0.0	-76.30	442.64	10.43	-65.87
CC(C)N1CC[NH+](C2(CNC(=O)N3CC(C)CCC3C(=O)[O-])CCCC2)CC1	REAL300012872185	1	66	0.0	-75.32	445.36	9.81	-65.51
CC(C)[NH+]1CCN(C2(CNC(=O)NC(C(=O)[O-])C3CCC3)CCCC2)CC1	REAL300012872186	0	63	0.0	-70.44	436.26	7.20	-63.24
CC(C)N1CC[NH+](C2(CNC(=O)NC(C(=O)[O-])C3CCC3)CCCC2)CC1	REAL300012872186	1	63	0.0	-63.94	437.31	7.06	-56.88
CC(C)[NH+]1CCN(C2(CNC(=O)NC(C(=O)[O-])C3CCC3)CCCC2)CC1	REAL300012872187	0	63	0.0	-70.44	436.26	7.20	-63.24
CC(C)N1CC[NH+](C2(CNC(=O)NC(C(=O)[O-])C3CCC3)CCCC2)CC1	REAL300012872187	1	63	0.0	-63.94	437.31	7.06	-56.88
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCC(C)C3C(=O)[O-])CCCC2)CC1	REAL300012872188	0	63	0.0	-74.31	433.45	8.85	-65.46
CC(C)N1CC[NH+](C2(CNC(=O)N3CCC(C)C3C(=O)[O-])CCCC2)CC1	REAL300012872188	1	63	0.0	-73.80	429.92	8.22	-65.58
C=CCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872189	0	60	0.0	-75.53	427.85	6.53	-69.00
C=CCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872189	1	60	0.0	-62.91	430.46	6.63	-56.28
CC(C)[NH+]1CCN(C2(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])CCCC2)CC1	REAL300012872190	0	64	0.0	-63.92	438.28	9.27	-54.65
CC(C)N1CC[NH+](C2(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])CCCC2)CC1	REAL300012872190	1	64	0.0	-52.31	429.27	8.83	-43.48
COC1CC(NC(=O)NCC2(N3CC[NH+](C(C)C)CC3)CCCC2)(C(=O)[O-])C1	REAL300012872191	0	64	0.0	-78.07	449.30	5.82	-72.25
COC1CC(NC(=O)NCC2([NH+]3CCN(C(C)C)CC3)CCCC2)(C(=O)[O-])C1	REAL300012872191	1	64	0.0	-64.05	450.05	5.75	-58.30
CO[C@H]1C[C@](NC(=O)NCC2(N3CC[NH+](C(C)C)CC3)CCCC2)(C(=O)[O-])C1	REAL300012872192	0	64	0.0	-70.85	447.87	6.38	-64.47
CO[C@H]1C[C@](NC(=O)NCC2([NH+]3CCN(C(C)C)CC3)CCCC2)(C(=O)[O-])C1	REAL300012872192	1	64	0.0	-67.80	444.10	5.68	-62.12
CCC1(C(=O)[O-])CCCN1C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872193	0	66	0.0	-75.22	448.16	10.09	-65.13
CCC1(C(=O)[O-])CCCN1C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872193	1	66	0.0	-69.45	446.48	9.47	-59.98
CC(C)[NH+]1CCN(C2(CNC(=O)NC3(C(=O)[O-])COC3)CCCC2)CC1	REAL300012872194	0	58	0.0	-66.07	408.13	4.10	-61.97
CC(C)N1CC[NH+](C2(CNC(=O)NC3(C(=O)[O-])COC3)CCCC2)CC1	REAL300012872194	1	58	0.0	-62.49	409.13	3.93	-58.56
CC(C)[NH+]1CCN(C2(CNC(=O)NC(C)(C(=O)[O-])C(C)C)CCCC2)CC1	REAL300012872195	0	65	0.0	-78.01	434.43	7.06	-70.95
CC(C)N1CC[NH+](C2(CNC(=O)NC(C)(C(=O)[O-])C(C)C)CCCC2)CC1	REAL300012872195	1	65	0.0	-63.36	436.24	7.17	-56.19
CC(C)[NH+]1CCN(C2(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300012872196	0	61	0.0	-84.39	422.99	9.19	-75.20
CC(C)N1CC[NH+](C2(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300012872196	1	61	0.0	-74.53	420.47	8.98	-65.55
CC(C)[NH+]1CCN(C2(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300012872197	0	64	0.0	-75.34	438.21	9.00	-66.34
CC(C)N1CC[NH+](C2(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])CCCC2)CC1	REAL300012872197	1	64	0.0	-71.59	439.38	8.88	-62.71
CCC(C(=O)[O-])N(CC)C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872198	0	65	0.0	-72.70	441.38	9.51	-63.19
CCC(C(=O)[O-])N(CC)C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872198	1	65	0.0	-60.58	441.39	8.88	-51.70
CC(C)[NH+]1CCN(C2(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CCCC2)CC1	REAL300012872199	0	60	0.0	-82.33	417.86	7.99	-74.34
CC(C)N1CC[NH+](C2(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CCCC2)CC1	REAL300012872199	1	60	0.0	-70.89	415.78	7.74	-63.15
CC(C)[NH+]1CCN(C2(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])CCCC2)CC1	REAL300012872200	0	62	0.0	-47.90	429.01	8.83	-39.07
CC(C)N1CC[NH+](C2(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])CCCC2)CC1	REAL300012872200	1	62	0.0	-37.33	427.82	8.74	-28.59
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])CCCC2)CC1	REAL300012872201	0	66	0.0	-74.31	446.00	9.25	-65.06
CC(C)N1CC[NH+](C2(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])CCCC2)CC1	REAL300012872201	1	66	0.0	-74.55	445.30	8.85	-65.70
CC(C)CCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872202	0	68	0.0	-76.17	475.10	8.14	-68.03
CC(C)CCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872202	1	68	0.0	-62.75	477.50	8.30	-54.45
CC(C)[NH+]1CCN(C2(CNC(=O)NC3(C(=O)[O-])CCC4CC43)CCCC2)CC1	REAL300012872203	0	64	0.0	-83.69	437.86	8.00	-75.69
CC(C)N1CC[NH+](C2(CNC(=O)NC3(C(=O)[O-])CCC4CC43)CCCC2)CC1	REAL300012872203	1	64	0.0	-73.31	439.67	8.13	-65.18
CC(C)[NH+]1CCN(C2(CNC(=O)NC(C(=O)[O-])C3CCCC3)CCCC2)CC1	REAL300012872204	0	66	0.0	-70.54	456.30	7.81	-62.73
CC(C)N1CC[NH+](C2(CNC(=O)NC(C(=O)[O-])C3CCCC3)CCCC2)CC1	REAL300012872204	1	66	0.0	-63.33	453.35	7.76	-55.57
CO[C@H](C)[C@H](NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872205	0	63	0.0	-76.96	448.55	5.61	-71.35
CO[C@H](C)[C@H](NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872205	1	63	0.0	-68.01	447.18	5.42	-62.59
CC(C)[NH+]1CCN(C2(CNC(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)CCCC2)CC1	REAL300012872206	0	63	0.0	-70.13	424.86	7.42	-62.71
CC(C)N1CC[NH+](C2(CNC(=O)N[C@]3(C(=O)[O-])C(C)[C@H]3C)CCCC2)CC1	REAL300012872206	1	63	0.0	-66.72	424.61	6.94	-59.78
CC(C)[NH+]1CCN(C2(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])CCCC2)CC1	REAL300012872207	0	66	0.0	-63.22	455.64	9.02	-54.20
CC(C)N1CC[NH+](C2(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])CCCC2)CC1	REAL300012872207	1	66	0.0	-36.99	452.76	8.68	-28.31
COCCCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872208	0	66	0.0	-74.56	469.71	5.92	-68.64
COCCCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872208	1	66	0.0	-62.71	472.35	6.02	-56.69
CCCC(C(=O)[O-])N(C)C(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1	REAL300012872209	0	65	0.0	-72.62	447.29	8.82	-63.80
CCCC(C(=O)[O-])N(C)C(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1	REAL300012872209	1	65	0.0	-60.15	449.65	8.99	-51.16
CCOCC(NC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872210	0	63	0.0	-77.89	448.60	5.27	-72.62
CCOCC(NC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300012872210	1	63	0.0	-64.42	450.89	5.39	-59.03
CC(C)[NH+]1CCN(C2(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CCCC2)CC1	REAL300012872211	0	68	0.0	-77.25	465.34	8.48	-68.77
CC(C)N1CC[NH+](C2(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])CCCC2)CC1	REAL300012872211	1	68	0.0	-63.76	468.00	8.57	-55.19
CC(C)[NH+]1CCN(C2(CNC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])CCCC2)CC1	REAL300012872212	0	64	0.0	-83.71	441.55	7.76	-75.95
CC(C)N1CC[NH+](C2(CNC(=O)N3CCO[C@H](C)[C@H]3C(=O)[O-])CCCC2)CC1	REAL300012872212	1	64	0.0	-71.94	434.92	7.22	-64.72
CC(C)[NH+]1CCN(C2(CNC(=O)NC(CCC#N)C(=O)[O-])CCCC2)CC1	REAL300012872213	0	60	0.0	-76.58	435.39	6.57	-70.01
CC(C)N1CC[NH+](C2(CNC(=O)NC(CCC#N)C(=O)[O-])CCCC2)CC1	REAL300012872213	1	60	0.0	-65.05	438.03	6.68	-58.37
CC(C)[NH+]1CCN(C2(CNC(=O)N(C)[C@H](C)C(=O)[O-])CCCC2)CC1	REAL300012872214	0	59	0.0	-65.50	407.11	7.18	-58.32
CC(C)N1CC[NH+](C2(CNC(=O)N(C)[C@H](C)C(=O)[O-])CCCC2)CC1	REAL300012872214	1	59	0.0	-59.49	408.21	7.25	-52.24
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)COCCO2)CC1	REAL300012872908	0	55	0.0	-65.32	410.46	4.35	-60.97
COCC(C)(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873311	0	65	0.0	-71.10	464.11	6.42	-64.68
C=CC(C)C(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873312	0	63	0.0	-69.86	457.34	6.31	-63.55
COCC(C)(CNC(=O)N1CCC(C)CC1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873313	0	66	0.0	-85.17	448.91	8.41	-76.76
CCCN(CC(=O)[O-])C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1	REAL300012873314	0	62	0.0	-63.35	445.21	7.71	-55.64
COCC(C)(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)N1CC[NH+](C(C)C)CC1	REAL300012873315	0	66	0.0	-63.55	457.92	8.19	-55.36
COCC(C)(CNC(=O)NC(C(=O)[O-])C(C)C)N1CC[NH+](C(C)C)CC1	REAL300012873316	0	62	0.0	-70.35	437.25	5.56	-64.79
COCC(C)(CNC(=O)N1CCCCC1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873317	0	63	0.0	-85.88	435.51	8.34	-77.54
COCC(C)(CNC(=O)NC1(C(=O)[O-])CCCCC1)N1CC[NH+](C(C)C)CC1	REAL300012873318	0	66	0.0	-82.83	454.92	7.31	-75.52
COCC(C)(CNC(=O)N1CCCC1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873319	0	60	0.0	-78.33	424.14	7.01	-71.32
COCC(C)(CNC(=O)NC1(C(=O)[O-])CCCC1)N1CC[NH+](C(C)C)CC1	REAL300012873320	0	63	0.0	-76.12	439.86	6.17	-69.95
COCC(C)(CNC(=O)NCC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873321	0	53	0.0	-61.86	383.19	3.30	-58.56
CCC(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873322	0	59	0.0	-70.25	425.56	5.22	-65.03
COCC(C)(CNC(=O)NC(C(=O)[O-])C(C)C)N1CC[NH+](C(C)C)CC1	REAL300012873323	0	62	0.0	-70.35	437.25	5.56	-64.79
COCC(C)(CNC(=O)N(C)CC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873324	0	56	0.0	-70.08	401.92	5.98	-64.10
COCC(C)(CNC(=O)NC(C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873325	0	56	0.0	-61.84	404.29	4.09	-57.75
CCC(C)C(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873326	0	65	0.0	-76.08	458.00	6.31	-69.77
COCC(C)(CNC(=O)N(C)CC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873327	0	56	0.0	-70.08	401.92	5.98	-64.10
COCC(C)(CNC(=O)N1CCCCC1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873328	0	63	0.0	-85.88	435.51	8.34	-77.54
CCCC(C)(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873329	0	65	0.0	-71.78	451.44	6.28	-65.50
COCC(C)(CNC(=O)N(CC(=O)[O-])C(C)C)N1CC[NH+](C(C)C)CC1	REAL300012873330	0	62	0.0	-64.17	432.39	7.19	-56.98
COCC(C)(CNC(=O)N(CC(=O)[O-])C1CC1)N1CC[NH+](C(C)C)CC1	REAL300012873331	0	60	0.0	-55.12	425.97	7.38	-47.74
C=CCN(CC(=O)[O-])C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1	REAL300012873332	0	60	0.0	-63.01	436.53	7.52	-55.49
COCC(C)(CNC(=O)N(CC(=O)[O-])CC(C)C)N1CC[NH+](C(C)C)CC1	REAL300012873333	0	65	0.0	-63.53	459.88	8.23	-55.30
COCC(C)(CNC(=O)NC(C)(C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873334	0	59	0.0	-60.62	416.55	4.52	-56.10
COCC(C)(CNC(=O)NC(C)(C(=O)[O-])C1CC1)N1CC[NH+](C(C)C)CC1	REAL300012873335	0	63	0.0	-79.59	439.05	6.25	-73.34
COCC(C)(CNC(=O)NC1(C(=O)[O-])CCCCC1)N1CC[NH+](C(C)C)CC1	REAL300012873336	0	66	0.0	-82.83	454.92	7.31	-75.52
COCC(C)(CNC(=O)N(CC(=O)[O-])C(C)C)N1CC[NH+](C(C)C)CC1	REAL300012873337	0	62	0.0	-64.17	432.39	7.19	-56.98
CCCN(CC(=O)[O-])C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1	REAL300012873338	0	62	0.0	-63.35	445.21	7.71	-55.64
CCN(CC(=O)[O-])C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1	REAL300012873339	0	59	0.0	-70.05	421.57	6.88	-63.17
CC[C@H](C)[C@H](NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873340	0	65	0.0	-71.21	456.47	6.18	-65.03
COCC(C)(CNC(=O)NC1(C(=O)[O-])CCCC1)N1CC[NH+](C(C)C)CC1	REAL300012873341	0	63	0.0	-76.12	439.86	6.17	-69.95
CCC(C)(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873342	0	62	0.0	-71.43	429.94	5.53	-65.90
COCC(C)(CNC(=O)N[C@@H](C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873343	0	56	0.0	-61.59	403.56	4.08	-57.51
CCN(CC(=O)[O-])C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1	REAL300012873344	0	59	0.0	-70.05	421.57	6.88	-63.17
COCC(C)(CNC(=O)N[C@H](C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873345	0	56	0.0	-61.40	403.98	4.13	-57.27
COCC(C)(CNC(=O)NC1(C(=O)[O-])CC1)N1CC[NH+](C(C)C)CC1	REAL300012873346	0	57	0.0	-78.60	409.74	5.30	-73.30
COCC(C)(CNC(=O)N1CCOCC1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873347	0	61	0.0	-83.40	426.52	5.71	-77.69
COCC(C)(CNC(=O)NC(C(=O)[O-])C1CC1)N1CC[NH+](C(C)C)CC1	REAL300012873348	0	60	0.0	-77.74	429.64	5.58	-72.16
COCCN(CC(=O)[O-])C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1	REAL300012873349	0	63	0.0	-63.78	455.09	6.14	-57.64
COCC(C)(CNC(=O)N1CCC[C@@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873350	0	60	0.0	-78.39	424.90	6.70	-71.69
COCC(C)(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873351	0	63	0.0	-84.43	433.30	7.51	-76.92
COCC(C)(CNC(=O)N(C)[C@H](C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873352	0	59	0.0	-71.30	416.45	6.17	-65.13
COCC(C)(CNC(=O)N1CCC[C@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873353	0	60	0.0	-77.59	423.98	7.11	-70.48
COCC(C)(CNC(=O)NC1(C(=O)[O-])CCC1)N1CC[NH+](C(C)C)CC1	REAL300012873354	0	60	0.0	-82.58	426.52	5.82	-76.76
C=CCC(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873355	0	60	0.0	-75.97	438.28	5.61	-70.36
COCC(C)(CNC(=O)N1CCCC1(C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873356	0	63	0.0	-76.95	441.07	7.68	-69.27
COCC(C)(CNC(=O)N1CCCCCC1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873357	0	66	0.0	-80.93	448.24	8.48	-72.45
COCC(C)(CNC(=O)NC(C(=O)[O-])C1CC1)N1CC[NH+](C(C)C)CC1	REAL300012873358	0	60	0.0	-77.74	429.64	5.58	-72.16
COCC(C)(CNC(=O)N(C)C(C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873359	0	59	0.0	-66.00	416.83	6.21	-59.79
CCCCC(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873360	0	65	0.0	-70.25	468.56	6.76	-63.49
COCC(C)(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873361	0	63	0.0	-84.72	441.22	7.57	-77.15
COCC(C)(CNC(=O)N(CC(=O)[O-])C1CCCC1)N1CC[NH+](C(C)C)CC1	REAL300012873362	0	66	0.0	-51.98	459.51	8.58	-43.40
COCC(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873363	0	60	0.0	-77.83	437.17	3.38	-74.45
COCC(C)(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)N1CC[NH+](C(C)C)CC1	REAL300012873364	0	66	0.0	-77.21	450.70	8.03	-69.18
COCC(C)(CNC(=O)N(C(C)C(=O)[O-])C1CC1)N1CC[NH+](C(C)C)CC1	REAL300012873365	0	63	0.0	-56.93	441.73	7.58	-49.35
CCC(C(=O)[O-])N(C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C1CC1	REAL300012873366	0	66	0.0	-66.19	462.34	7.54	-58.65
COCC(C)(CNC(=O)NC(C)(COC)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873367	0	63	0.0	-75.62	448.19	4.80	-70.82
COCC(C)(CNC(=O)N(CC(=O)[O-])CC(C)C)N1CC[NH+](C(C)C)CC1	REAL300012873368	0	65	0.0	-63.53	459.88	8.23	-55.30
COCC(C)(CNC(=O)N(CC(=O)[O-])C1CC1)N1CC[NH+](C(C)C)CC1	REAL300012873369	0	60	0.0	-55.12	425.97	7.38	-47.74
COCC(C)(CNC(=O)NC1(C(=O)[O-])CCOC1)N1CC[NH+](C(C)C)CC1	REAL300012873370	0	61	0.0	-71.13	430.88	3.71	-67.42
C=CCCC(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873371	0	63	0.0	-69.99	459.87	6.54	-63.45
COCC(C)(CNC(=O)NC(CF)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873372	0	56	0.0	-61.40	407.43	4.17	-57.23
COCC(C)(CNC(=O)N(C)C(C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873373	0	59	0.0	-66.00	416.83	6.21	-59.79
CCC(CC)(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873374	0	65	0.0	-72.66	446.33	6.42	-66.24
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1	REAL300012873375	0	65	0.0	-62.59	454.44	8.29	-54.30
COCC(C)(CNC(=O)NC(CC1CC1)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873376	0	63	0.0	-76.77	457.41	6.71	-70.06
COCCC(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873377	0	63	0.0	-70.25	459.48	4.22	-66.03
COCC(C)(CNC(=O)NC(CC(F)F)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873378	0	59	0.0	-66.00	436.43	5.67	-60.33
CCCN(C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(C)C(=O)[O-]	REAL300012873379	0	65	0.0	-66.72	449.65	7.46	-59.26
COCC(C)(CNC(=O)NC(CCF)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873380	0	59	0.0	-68.67	432.39	5.30	-63.37
COCC(C)(CNC(=O)NC(C)(CCF)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873381	0	62	0.0	-68.12	436.53	5.66	-62.46
COCC(C)(CNC(=O)N(C)[C@@H](C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873382	0	59	0.0	-66.18	416.43	6.16	-60.02
COCC(C)(CNC(=O)N1CC2CC1(C(=O)[O-])C2)N1CC[NH+](C(C)C)CC1	REAL300012873383	0	61	0.0	-86.67	431.19	7.76	-78.91
COCC(C)(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)N1CC[NH+](C(C)C)CC1	REAL300012873384	0	65	0.0	-71.39	456.03	6.33	-65.06
C=C(C)CC(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873385	0	63	0.0	-76.88	458.82	6.36	-70.52
COCC(C)(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)N1CC[NH+](C(C)C)CC1	REAL300012873386	0	64	0.0	-90.36	445.93	8.46	-81.90
COCC(C)(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873387	0	60	0.0	-81.37	431.05	7.16	-74.21
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(COC)N2CC[NH+](C(C)C)CC2)C1	REAL300012873388	0	61	0.0	-84.76	438.77	7.13	-77.63
COCC(C)(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873389	0	65	0.0	-71.10	464.11	6.42	-64.68
COCC(C)(CNC(=O)NC(CC1CC1)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873390	0	63	0.0	-76.77	457.41	6.71	-70.06
COCC(C)(CNC(=O)NC(CSC)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873391	0	60	0.0	-73.84	449.28	5.57	-68.27
COC[C@H](NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873392	0	60	0.0	-71.60	436.77	3.33	-68.27
CC[C@H](NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873393	0	59	0.0	-69.44	424.40	5.23	-64.21
C=CCCCC(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873394	0	66	0.0	-70.64	481.61	7.27	-63.37
COCC(C)(CNC(=O)N1CCC[C@@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873395	0	60	0.0	-78.39	424.90	6.70	-71.69
CCCC(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873396	0	62	0.0	-70.24	447.06	5.98	-64.26
COCC(C)(CNC(=O)N[C@@H](C(=O)[O-])C(C)C)N1CC[NH+](C(C)C)CC1	REAL300012873397	0	62	0.0	-69.90	440.93	5.76	-64.14
COCC(C)(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873398	0	64	0.0	-87.91	446.48	8.51	-79.40
CCN(C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(C)(C)C(=O)[O-]	REAL300012873399	0	65	0.0	-75.40	447.99	7.85	-67.55
CCCN(C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(C)C(=O)[O-]	REAL300012873400	0	65	0.0	-66.72	449.65	7.46	-59.26
COCC(C)(CNC(=O)N(C)C(C)(C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873401	0	62	0.0	-74.78	431.06	6.98	-67.80
COCC(C)(CNC(=O)N1CCC[C@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873402	0	60	0.0	-77.59	423.98	7.11	-70.48
COCC(C)(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873403	0	61	0.0	-80.29	437.98	3.26	-77.03
CCC[C@@H](NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873404	0	62	0.0	-77.00	446.90	5.86	-71.14
C=CCCC(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873405	0	63	0.0	-69.99	459.87	6.54	-63.45
COCC(C)(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873406	0	63	0.0	-77.38	441.27	7.57	-69.81
COCC(C)(CNC(=O)N[C@H](C(=O)[O-])C(C)C)N1CC[NH+](C(C)C)CC1	REAL300012873407	0	62	0.0	-70.56	442.28	5.80	-64.76
COCC(C)(CNC(=O)N(C)[C@@H](C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873408	0	59	0.0	-66.18	416.43	6.16	-60.02
CCC[C@H](NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873409	0	62	0.0	-69.48	445.90	5.99	-63.49
CCN(C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(C)C(=O)[O-]	REAL300012873410	0	62	0.0	-74.03	434.66	7.06	-66.97
COCC(C)(CNC(=O)N(CC(=O)[O-])C1CCCC1)N1CC[NH+](C(C)C)CC1	REAL300012873411	0	66	0.0	-51.98	459.51	8.58	-43.40
COCC(C)(CNC(=O)N(C)CC(C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873412	0	62	0.0	-76.43	437.28	6.88	-69.55
CC[C@H](C)[C@H](NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873413	0	65	0.0	-71.21	456.47	6.18	-65.03
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1	REAL300012873414	0	62	0.0	-66.36	435.66	7.18	-59.18
COCC(C)(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)N1CC[NH+](C(C)C)CC1	REAL300012873415	0	66	0.0	-82.15	461.30	6.96	-75.19
COCCC(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873416	0	63	0.0	-70.25	459.48	4.22	-66.03
COCC(C)(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)N1CC[NH+](C(C)C)CC1	REAL300012873417	0	66	0.0	-83.84	462.74	7.51	-76.33
COCC(C)(CNC(=O)NC(C(=O)[O-])C1(C)CC1)N1CC[NH+](C(C)C)CC1	REAL300012873418	0	63	0.0	-79.04	446.69	6.56	-72.48
COCC(C)(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873419	0	61	0.0	-83.53	433.46	3.11	-80.42
COCC(C)(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873420	0	64	0.0	-87.65	444.50	7.78	-79.87
COCC(C)(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)N1CC[NH+](C(C)C)CC1	REAL300012873421	0	62	0.0	-84.13	438.92	5.99	-78.14
COCC(C)(CNC(=O)N1CC(C)CCC1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873422	0	66	0.0	-85.59	456.40	8.93	-76.66
COCC(C)(CNC(=O)NC(C(=O)[O-])C1CCC1)N1CC[NH+](C(C)C)CC1	REAL300012873423	0	63	0.0	-71.73	445.94	6.04	-65.69
COCC(C)(CNC(=O)NC(C(=O)[O-])C1CCC1)N1CC[NH+](C(C)C)CC1	REAL300012873424	0	63	0.0	-71.73	445.94	6.04	-65.69
COCC(C)(CNC(=O)N1CCC(C)C1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873425	0	63	0.0	-85.38	440.17	7.28	-78.10
C=CCC(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873426	0	60	0.0	-75.97	438.28	5.61	-70.36
COCC(C)(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873427	0	64	0.0	-60.95	447.68	7.06	-53.89
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1	REAL300012873428	0	66	0.0	-85.26	456.77	8.74	-76.52
COCC(C)(CNC(=O)NC1(C(=O)[O-])COC1)N1CC[NH+](C(C)C)CC1	REAL300012873429	0	58	0.0	-74.56	417.18	2.97	-71.59
COCC(C)(CNC(=O)NC(C)(C(=O)[O-])C(C)C)N1CC[NH+](C(C)C)CC1	REAL300012873430	0	65	0.0	-72.22	444.87	6.14	-66.08
COCC(C)(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873431	0	61	0.0	-85.00	427.10	7.74	-77.26
COCC(C)(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873432	0	64	0.0	-78.53	447.27	7.56	-70.97
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1	REAL300012873433	0	65	0.0	-66.80	447.84	7.76	-59.04
COCC(C)(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873434	0	60	0.0	-81.37	431.05	7.16	-74.21
COCC(C)(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873435	0	62	0.0	-51.42	439.72	7.79	-43.63
COCC(C)(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873436	0	66	0.0	-79.08	456.31	8.08	-71.00
COCC(C)(CNC(=O)NC1(C(=O)[O-])CCC2CC21)N1CC[NH+](C(C)C)CC1	REAL300012873437	0	64	0.0	-83.92	448.30	7.10	-76.82
COCC(C)(CNC(=O)NC(C(=O)[O-])C1CCCC1)N1CC[NH+](C(C)C)CC1	REAL300012873438	0	66	0.0	-71.40	461.97	6.74	-64.66
COCC(C)(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)N1CC[NH+](C(C)C)CC1	REAL300012873439	0	63	0.0	-71.13	455.24	4.46	-66.67
COCC(C)(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)N1CC[NH+](C(C)C)CC1	REAL300012873440	0	63	0.0	-79.50	438.46	6.19	-73.31
COCC(C)(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873441	0	66	0.0	-62.71	466.00	6.62	-56.09
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1	REAL300012873442	0	65	0.0	-66.52	458.78	8.06	-58.46
CCOCC(NC(=O)NCC(C)(COC)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300012873443	0	63	0.0	-78.50	459.52	4.37	-74.13
COCC(C)(CNC(=O)NC(CCC#N)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873444	0	60	0.0	-69.94	446.43	5.71	-64.23
COCC(C)(CNC(=O)N(C)[C@H](C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300012873445	0	59	0.0	-71.30	416.45	6.17	-65.13
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@H]2CCC(=O)N2)CC1	REAL300012874009	0	51	0.0	-70.90	392.79	3.18	-67.72
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCN2C=NN=N2)CC1	REAL300012874202	0	51	0.0	-66.88	398.50	5.11	-61.77
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC(F)C2)CC1	REAL300012874706	0	53	0.0	-57.72	397.61	6.96	-50.76
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2COCCO2)CC1	REAL300012874921	0	55	0.0	-65.12	418.17	4.42	-60.70
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)CC1	REAL300012875512	0	64	0.0	-62.57	468.72	9.73	-52.84
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1	REAL300012875750	0	57	0.0	-63.83	420.72	8.22	-55.61
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC3=NSN=C3C=C2)CC1	REAL300012876027	0	51	0.0	-63.37	415.43	5.74	-57.63
COCC1(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCCC1	REAL300012876329	0	63	0.0	-64.03	463.63	7.28	-56.75
CC(C)C[C@H](NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876462	0	59	0.0	-79.95	448.88	8.10	-71.85
C=CCOCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876463	0	58	0.0	-81.75	457.03	6.53	-75.22
C=CC(C)C(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876464	0	57	0.0	-79.95	435.21	7.65	-72.30
CC1CCN(C(=O)NCCC2=CC=C(N3CC[NH+](C)CC3)C=C2)C(C(=O)[O-])C1	REAL300012876465	0	60	0.0	-88.44	434.31	10.01	-78.43
CCCN(CC(=O)[O-])C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876466	0	56	0.0	-71.75	429.85	9.30	-62.45
CC(C(=O)[O-])N(C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C1CCC1	REAL300012876467	0	60	0.0	-69.65	442.61	9.65	-60.00
CCCN(C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(CC)C(=O)[O-]	REAL300012876468	0	62	0.0	-81.20	458.62	10.93	-70.27
CC(C)C(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876469	0	56	0.0	-78.91	425.54	7.34	-71.57
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300012876470	0	57	0.0	-89.17	420.50	9.92	-79.25
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCSCC3C(=O)[O-])C=C2)CC1	REAL300012876471	0	55	0.0	-85.17	420.33	9.77	-75.40
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC3(C(=O)[O-])CCCCC3)C=C2)CC1	REAL300012876472	0	60	0.0	-83.41	439.94	8.95	-74.46
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCCC3C(=O)[O-])C=C2)CC1	REAL300012876473	0	54	0.0	-85.86	409.18	8.64	-77.22
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012876474	0	57	0.0	-83.46	425.42	7.86	-75.60
C[NH+]1CCN(C2=CC=C(CCNC(=O)NCC(=O)[O-])C=C2)CC1	REAL300012876475	0	47	0.0	-69.56	367.80	4.88	-64.68
C[NH+]1CCN(C2=CC=C(CCNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012876476	0	57	0.0	-81.56	446.60	8.80	-72.76
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012876477	0	57	0.0	-81.28	446.33	8.89	-72.39
CCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876478	0	53	0.0	-79.93	410.42	6.74	-73.19
CC(C)C(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876479	0	56	0.0	-78.91	425.54	7.34	-71.57
CN(CC(=O)[O-])C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876480	0	50	0.0	-78.51	386.54	7.56	-70.95
CC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876481	0	50	0.0	-70.13	388.59	5.72	-64.41
CCC(C)C(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876482	0	59	0.0	-80.54	445.40	7.95	-72.59
CN(CC(=O)[O-])C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876483	0	50	0.0	-78.51	386.54	7.56	-70.95
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300012876484	0	57	0.0	-89.17	420.50	9.92	-79.25
CCCC(C)(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876485	0	59	0.0	-80.18	436.05	7.87	-72.31
CC(C)N(CC(=O)[O-])C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876486	0	56	0.0	-72.40	418.47	8.83	-63.57
C[NH+]1CCN(C2=CC=C(CCNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300012876487	0	54	0.0	-69.52	411.89	9.10	-60.42
C=CCN(CC(=O)[O-])C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876488	0	54	0.0	-71.54	421.16	9.11	-62.43
CC(C)CN(CC(=O)[O-])C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876489	0	59	0.0	-71.82	444.50	9.82	-62.00
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(C)(C)C(=O)[O-])C=C2)CC1	REAL300012876490	0	53	0.0	-68.72	401.17	6.11	-62.61
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012876491	0	57	0.0	-81.54	424.05	7.85	-73.69
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC3(C(=O)[O-])CCCCC3)C=C2)CC1	REAL300012876492	0	60	0.0	-83.41	439.94	8.95	-74.46
CC(C)N(CC(=O)[O-])C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876493	0	56	0.0	-72.40	418.47	8.83	-63.57
CCCN(CC(=O)[O-])C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876494	0	56	0.0	-71.75	429.85	9.30	-62.45
CCN(CC(=O)[O-])C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876495	0	53	0.0	-78.46	408.35	8.54	-69.92
CC[C@H](C)[C@H](NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876496	0	59	0.0	-80.44	440.94	7.74	-72.70
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300012876497	0	57	0.0	-83.46	425.42	7.86	-75.60
CCC(C)(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876498	0	56	0.0	-80.46	414.55	7.11	-73.35
C[C@H](NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876499	0	50	0.0	-70.32	388.60	5.72	-64.60
CCN(CC(=O)[O-])C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876500	0	53	0.0	-78.46	408.35	8.54	-69.92
C[C@@H](NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876501	0	50	0.0	-70.16	388.59	5.71	-64.45
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC3(C(=O)[O-])CC3)C=C2)CC1	REAL300012876502	0	51	0.0	-84.76	394.72	6.94	-77.82
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCOCC3C(=O)[O-])C=C2)CC1	REAL300012876503	0	55	0.0	-85.13	411.68	7.25	-77.88
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012876504	0	54	0.0	-80.65	420.18	7.28	-73.37
COCCN(CC(=O)[O-])C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876505	0	57	0.0	-72.58	439.72	7.73	-64.85
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012876506	0	54	0.0	-87.99	409.93	8.34	-79.65
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012876507	0	57	0.0	-90.96	420.04	9.66	-81.30
C[C@H](C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876508	0	53	0.0	-75.32	400.39	7.64	-67.68
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012876509	0	54	0.0	-88.19	409.17	8.65	-79.54
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300012876510	0	54	0.0	-84.22	411.54	7.45	-76.77
C=CCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876511	0	54	0.0	-79.02	422.90	7.19	-71.83
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCCC3(C)C(=O)[O-])C=C2)CC1	REAL300012876512	0	57	0.0	-85.27	426.30	9.19	-76.08
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCCCCC3C(=O)[O-])C=C2)CC1	REAL300012876513	0	60	0.0	-87.47	433.39	10.18	-77.29
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300012876514	0	54	0.0	-80.65	420.18	7.28	-73.37
CC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876515	0	53	0.0	-74.68	400.94	7.69	-66.99
CCCCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876516	0	59	0.0	-79.69	453.41	8.29	-71.40
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)CC1	REAL300012876517	0	57	0.0	-85.93	426.31	9.19	-76.74
C[NH+]1CCN(C2=CC=C(CCNC(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012876518	0	60	0.0	-70.96	444.69	10.12	-60.84
COCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876519	0	54	0.0	-81.65	422.27	4.98	-76.67
CCCCCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876520	0	62	0.0	-79.18	474.08	9.08	-70.10
CN(C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C1(C(=O)[O-])CCCC1	REAL300012876521	0	60	0.0	-86.45	435.88	9.55	-76.90
CC(C(=O)[O-])N(C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C1CC1	REAL300012876522	0	57	0.0	-71.26	426.80	9.13	-62.13
CCC(C(=O)[O-])N(C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C1CC1	REAL300012876523	0	60	0.0	-78.41	442.37	10.30	-68.11
COCC(C)(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876524	0	57	0.0	-84.44	432.80	6.40	-78.04
CCOCC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876525	0	60	0.0	-77.06	452.18	8.22	-68.84
CC(C)CN(CC(=O)[O-])C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876526	0	59	0.0	-71.82	444.50	9.82	-62.00
C[NH+]1CCN(C2=CC=C(CCNC(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300012876527	0	54	0.0	-69.52	411.89	9.10	-60.42
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300012876528	0	55	0.0	-79.26	415.94	5.25	-74.01
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC3(C(=O)[O-])CCOCC3)C=C2)CC1	REAL300012876529	0	58	0.0	-82.12	431.36	6.46	-75.66
C=CCCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876530	0	57	0.0	-79.06	443.89	8.07	-70.99
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(CF)C(=O)[O-])C=C2)CC1	REAL300012876531	0	50	0.0	-68.23	392.04	5.75	-62.48
CC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876532	0	53	0.0	-74.68	400.94	7.69	-66.99
CCC(CC)(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876533	0	59	0.0	-81.63	431.23	7.99	-73.64
CCC(C)N(CC(=O)[O-])C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876534	0	59	0.0	-71.47	439.07	9.88	-61.59
CCC(COC)(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876535	0	60	0.0	-85.69	449.47	7.29	-78.40
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300012876536	0	57	0.0	-79.79	442.02	8.29	-71.50
COCCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876537	0	57	0.0	-79.37	443.25	5.82	-73.55
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876538	0	62	0.0	-76.35	458.66	10.21	-66.14
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(CC(F)F)C(=O)[O-])C=C2)CC1	REAL300012876539	0	53	0.0	-75.71	421.04	7.27	-68.44
CCCN(C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012876540	0	59	0.0	-75.45	440.08	9.38	-66.07
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(CCF)C(=O)[O-])C=C2)CC1	REAL300012876541	0	53	0.0	-78.19	417.01	6.88	-71.31
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(C)(CCF)C(=O)[O-])C=C2)CC1	REAL300012876542	0	56	0.0	-76.72	421.15	7.25	-69.47
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012876543	0	54	0.0	-78.46	422.93	8.50	-69.96
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876544	0	53	0.0	-75.11	401.44	7.80	-67.31
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)CC1	REAL300012876545	0	55	0.0	-90.04	416.43	9.28	-80.76
C[NH+]1CCN(C2=CC=C(CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300012876546	0	59	0.0	-80.55	440.54	7.92	-72.63
C=C(Cl)CC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876547	0	54	0.0	-79.81	439.68	7.79	-72.02
C=C(C)CC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876548	0	57	0.0	-79.80	444.30	7.94	-71.86
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2)CC1	REAL300012876549	0	58	0.0	-91.79	430.96	10.10	-81.69
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012876550	0	54	0.0	-78.98	422.96	8.50	-70.48
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012876551	0	54	0.0	-83.03	415.68	8.74	-74.29
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC2=CC=C(N3CC[NH+](C)CC3)C=C2)C1	REAL300012876552	0	55	0.0	-88.19	423.41	8.70	-79.49
CC(C)C[C@H](NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876553	0	59	0.0	-79.95	448.88	8.10	-71.85
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012876554	0	57	0.0	-81.28	446.33	8.89	-72.39
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300012876555	0	57	0.0	-79.79	442.02	8.29	-71.50
CSCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876556	0	54	0.0	-77.92	433.89	7.16	-70.76
COC[C@H](NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876557	0	54	0.0	-81.63	422.27	4.98	-76.65
CC[C@H](NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876558	0	53	0.0	-79.46	409.59	6.75	-72.71
CCC(C)CC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876559	0	62	0.0	-79.72	466.51	8.70	-71.02
C=CCCCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876560	0	60	0.0	-78.99	465.39	8.86	-70.13
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCSCC3C(=O)[O-])C=C2)CC1	REAL300012876561	0	55	0.0	-85.17	420.33	9.77	-75.40
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012876562	0	54	0.0	-87.99	409.93	8.34	-79.65
CCCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876563	0	56	0.0	-79.84	431.91	7.51	-72.33
CC(C)[C@@H](NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876564	0	56	0.0	-79.81	427.45	7.31	-72.50
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C=C2)CC1	REAL300012876565	0	58	0.0	-90.75	430.49	10.21	-80.54
CCN(C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012876566	0	59	0.0	-82.79	435.14	9.52	-73.27
CCCN(C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012876567	0	59	0.0	-75.45	440.08	9.38	-66.07
CN(C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300012876568	0	56	0.0	-82.80	415.65	8.62	-74.18
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300012876569	0	54	0.0	-88.19	409.17	8.65	-79.54
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012876570	0	55	0.0	-86.84	421.19	4.95	-81.89
CCC[C@@H](NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876571	0	56	0.0	-79.26	431.91	7.51	-71.75
C[NH+]1CCN(C2=CC=C(CCNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012876572	0	57	0.0	-81.56	446.60	8.80	-72.76
C=CCCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876573	0	57	0.0	-79.06	443.89	8.07	-70.99
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)CC1	REAL300012876574	0	57	0.0	-85.33	426.27	9.20	-76.13
CC(C)[C@H](NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876575	0	56	0.0	-80.30	423.12	7.06	-73.24
C[NH+]1CCN(C2=CC=C(CCNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300012876576	0	57	0.0	-81.99	446.55	8.81	-73.18
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876577	0	53	0.0	-75.11	401.44	7.80	-67.31
CCC[C@H](NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876578	0	56	0.0	-79.87	431.92	7.51	-72.36
CCN(C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(C)C(=O)[O-]	REAL300012876579	0	56	0.0	-74.91	417.62	8.47	-66.44
C[NH+]1CCN(C2=CC=C(CCNC(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012876580	0	60	0.0	-70.96	444.69	10.12	-60.84
CC(CN(C)C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876581	0	56	0.0	-76.90	421.64	8.23	-68.67
CC[C@H](C)[C@H](NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876582	0	59	0.0	-80.44	440.94	7.74	-72.70
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876583	0	56	0.0	-75.55	421.89	8.87	-66.68
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC3(C(=O)[O-])CC(CO)C3)C=C2)CC1	REAL300012876584	0	58	0.0	-89.38	442.08	4.63	-84.75
CC1CCC(NC(=O)NCCC2=CC=C(N3CC[NH+](C)CC3)C=C2)(C(=O)[O-])C1	REAL300012876585	0	60	0.0	-83.69	446.49	8.47	-75.22
COCCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876586	0	57	0.0	-79.37	443.25	5.82	-73.55
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)CC1	REAL300012876587	0	60	0.0	-85.34	447.75	9.15	-76.19
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)CC1	REAL300012876588	0	57	0.0	-81.80	434.03	8.10	-73.70
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012876589	0	55	0.0	-94.01	419.87	5.14	-88.87
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(C(=O)[O-])C3CCOC3)C=C2)CC1	REAL300012876590	0	58	0.0	-79.77	437.19	5.77	-74.00
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=C2)CC1	REAL300012876591	0	58	0.0	-89.57	431.21	9.78	-79.79
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CC4CC3(C(=O)[O-])CO4)C=C2)CC1	REAL300012876592	0	56	0.0	-85.81	423.81	7.47	-78.34
CC1CCC(C(=O)[O-])N(C(=O)NCCC2=CC=C(N3CC[NH+](C)CC3)C=C2)C1	REAL300012876593	0	60	0.0	-88.62	441.34	10.51	-78.11
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC1	REAL300012876594	0	57	0.0	-80.55	430.55	7.62	-72.93
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(C(=O)[O-])C3CCC3)C=C2)CC1	REAL300012876595	0	57	0.0	-80.55	430.55	7.62	-72.93
CC1CCN(C(=O)NCCC2=CC=C(N3CC[NH+](C)CC3)C=C2)C1C(=O)[O-]	REAL300012876596	0	57	0.0	-87.20	430.53	8.96	-78.24
C=CCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876597	0	54	0.0	-79.02	422.90	7.19	-71.83
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=C2)CC1	REAL300012876598	0	58	0.0	-72.85	431.96	9.67	-63.18
COC1CC(NC(=O)NCCC2=CC=C(N3CC[NH+](C)CC3)C=C2)(C(=O)[O-])C1	REAL300012876599	0	58	0.0	-80.96	443.15	6.32	-74.64
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=C2)CC1	REAL300012876600	0	54	0.0	-81.75	419.97	7.48	-74.27
CO[C@H]1C[C@](NC(=O)NCCC2=CC=C(N3CC[NH+](C)CC3)C=C2)(C(=O)[O-])C1	REAL300012876601	0	58	0.0	-83.30	443.51	6.70	-76.60
CCC1(C(=O)[O-])CCCN1C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876602	0	60	0.0	-87.89	439.46	10.42	-77.47
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC3(C(=O)[O-])COC3)C=C2)CC1	REAL300012876603	0	52	0.0	-77.98	402.37	4.49	-73.49
CC(C)C(C)(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876604	0	59	0.0	-80.47	429.48	7.73	-72.74
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012876605	0	55	0.0	-88.27	415.24	9.77	-78.50
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300012876606	0	58	0.0	-90.09	432.42	9.41	-80.68
CCC(C(=O)[O-])N(CC)C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876607	0	59	0.0	-81.63	437.14	10.20	-71.43
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300012876608	0	54	0.0	-83.03	415.68	8.74	-74.29
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=C2)CC1	REAL300012876609	0	56	0.0	-72.79	425.26	9.46	-63.33
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCC(C)(C)C3C(=O)[O-])C=C2)CC1	REAL300012876610	0	60	0.0	-87.42	445.32	9.30	-78.12
CC(C)CCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876611	0	62	0.0	-79.49	470.15	8.82	-70.67
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC3(C(=O)[O-])CCC4CC43)C=C2)CC1	REAL300012876612	0	58	0.0	-85.58	432.91	8.67	-76.91
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(C(=O)[O-])C3CCCC3)C=C2)CC1	REAL300012876613	0	60	0.0	-80.96	453.85	8.45	-72.51
CO[C@H](C)[C@H](NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876614	0	57	0.0	-81.51	440.42	5.98	-75.53
CC1[C@@H](C)[C@@]1(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876615	0	57	0.0	-86.00	433.42	8.47	-77.53
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CC(C)(C)CC3C(=O)[O-])C=C2)CC1	REAL300012876616	0	60	0.0	-71.85	449.04	9.44	-62.41
C[NH+]1CCN(C2=CC=C(CCNC(=O)N3CCC(F)(F)C3C(=O)[O-])C=C2)CC1	REAL300012876617	0	54	0.0	-87.74	420.86	8.78	-78.96
COCCCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876618	0	60	0.0	-79.07	464.75	6.59	-72.48
CCCC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876619	0	59	0.0	-76.43	442.34	9.50	-66.93
CCOCC(NC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300012876620	0	57	0.0	-81.91	443.64	5.94	-75.97
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C2)CC1	REAL300012876621	0	62	0.0	-79.88	461.25	9.13	-70.75
C[C@H]1OCCN(C(=O)NCCC2=CC=C(N3CC[NH+](C)CC3)C=C2)[C@@H]1C(=O)[O-]	REAL300012876622	0	58	0.0	-86.73	432.17	8.20	-78.53
C[NH+]1CCN(C2=CC=C(CCNC(=O)NC(CCC#N)C(=O)[O-])C=C2)CC1	REAL300012876623	0	54	0.0	-80.23	431.27	7.24	-72.99
C[C@H](C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300012876624	0	53	0.0	-75.32	400.39	7.64	-67.68
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC(F)C2)CC1	REAL300012876728	0	53	0.0	-57.72	397.61	6.96	-50.76
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCSC2(C)C)CC1	REAL300012877816	0	57	0.0	-57.33	425.36	7.58	-49.75
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC3(CCOC3)O2)CC1	REAL300012878127	0	62	0.0	-62.67	450.87	5.20	-57.47
COCC(F)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012878635	0	50	0.0	-59.86	386.06	4.19	-55.67
O=C([O-])C1CCCN1C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878712	0	52	0.0	-79.04	410.47	10.87	-68.17
O=C([O-])CNC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878713	0	45	0.0	-65.93	368.03	7.02	-58.91
CCC(NC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012878714	0	51	0.0	-74.87	410.65	8.88	-65.99
CN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878715	0	48	0.0	-70.94	386.77	9.70	-61.24
CC(NC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012878716	0	48	0.0	-67.10	388.82	7.85	-59.25
CN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878717	0	48	0.0	-70.94	386.77	9.70	-61.24
O=C([O-])CN(C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1)C1CC1	REAL300012878718	0	52	0.0	-44.30	405.06	11.97	-32.33
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878719	0	52	0.0	-62.63	421.37	11.25	-51.38
CC(C)(NC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012878720	0	51	0.0	-65.53	401.40	8.25	-57.28
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878721	0	51	0.0	-70.84	408.54	10.68	-60.16
C[C@H](NC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012878722	0	48	0.0	-65.12	389.84	7.98	-57.14
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878723	0	51	0.0	-70.84	408.54	10.68	-60.16
C[C@@H](NC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012878724	0	48	0.0	-67.35	389.92	7.87	-59.48
O=C([O-])C1(NC(=O)NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)CC1	REAL300012878725	0	49	0.0	-74.74	396.16	9.18	-65.56
O=C([O-])C(NC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1)C1CC1	REAL300012878726	0	52	0.0	-75.54	415.98	9.37	-66.17
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878727	0	52	0.0	-76.27	408.05	11.13	-65.14
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878728	0	51	0.0	-71.93	402.27	9.85	-62.08
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878729	0	52	0.0	-78.96	410.50	10.86	-68.10
O=C([O-])C1(NC(=O)NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)CCC1	REAL300012878730	0	52	0.0	-73.78	413.06	9.68	-64.10
C=CCC(NC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012878731	0	52	0.0	-74.17	423.97	9.33	-64.84
O=C([O-])C(NC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1)C1CC1	REAL300012878732	0	52	0.0	-75.54	415.98	9.37	-66.17
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878733	0	51	0.0	-72.33	400.61	9.88	-62.45
O=C([O-])CN(C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1)C1CC1	REAL300012878734	0	52	0.0	-44.30	405.06	11.97	-32.33
O=C([O-])C(CF)NC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878735	0	48	0.0	-63.81	392.28	7.89	-55.92
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878736	0	51	0.0	-72.33	400.61	9.88	-62.45
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878737	0	51	0.0	-68.23	403.16	10.10	-58.13
CC[C@H](NC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012878738	0	51	0.0	-70.16	411.59	9.04	-61.12
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878739	0	52	0.0	-76.27	408.05	11.13	-65.14
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878740	0	52	0.0	-78.96	410.50	10.86	-68.10
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878741	0	51	0.0	-68.23	403.16	10.10	-58.13
C=CCC(NC(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012878742	0	52	0.0	-74.17	423.97	9.33	-64.84
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300012878743	0	51	0.0	-71.93	402.27	9.85	-62.08
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC=CCO2)CC1	REAL300012878937	0	52	0.0	-62.62	398.28	5.35	-57.27
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2C(F)(F)C23CCC3)CC1	REAL300012879179	0	54	0.0	-61.58	418.17	7.79	-53.79
C=CCC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1	REAL300012879594	0	60	0.0	-58.90	456.55	9.82	-49.08
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOC(F)(F)F)CC1	REAL300012879872	0	50	0.0	-58.05	399.57	4.57	-53.48
CCC1(CC)CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012880110	0	59	0.0	-62.19	432.38	8.11	-54.08
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2C[C@@H]3OCCC[C@H]23)CC1	REAL300012880321	0	55	0.0	-62.09	404.39	6.11	-55.98
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2=CN(CC3CCC3)N=C2)CC1	REAL300012880580	0	57	0.0	-61.20	431.54	7.72	-53.48
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC[C@@H]2NC(=O)NC2=O)CC1	REAL300012881348	0	55	0.0	-68.98	432.12	1.41	-67.57
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CN3C=CN=C23)CC1	REAL300012881640	0	53	0.0	-67.55	417.68	7.92	-59.63
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=NC=C2Cl)CC1	REAL300012882475	0	49	0.0	-65.16	400.91	6.06	-59.10
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)CC1	REAL300012882704	0	55	0.0	-61.39	391.59	6.75	-54.64
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC(C(C)(C)C)=NO2)CC1	REAL300012882964	0	58	0.0	-66.29	448.76	7.44	-58.85
CC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(F)=C1	REAL300012883218	0	53	0.0	-67.71	418.16	8.12	-59.59
C=C[C@H]1C[C@H](NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCO1	REAL300012883445	0	55	0.0	-61.91	414.63	6.36	-55.55
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCN2C=C(Cl)C=N2)CC1	REAL300012884533	0	50	0.0	-62.00	405.53	5.66	-56.34
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC(C3CC3)=C2)CC1	REAL300012885120	0	57	0.0	-63.73	440.40	9.52	-54.21
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)CC1	REAL300012885335	0	52	0.0	-61.46	386.61	5.71	-55.75
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CN(CCO)N=C2)CC1	REAL300012885813	0	54	0.0	-64.57	426.95	2.71	-61.86
CO[C@@H]1CC[C@H]1NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012886005	0	51	0.0	-64.87	391.62	4.79	-60.08
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2CCC3=C(Cl)C=CC=C32)CC1	REAL300012886245	0	54	0.0	-61.62	430.45	9.14	-52.48
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CCC3=C(Cl)C=CC=C32)CC1	REAL300012886553	0	54	0.0	-63.84	429.42	9.08	-54.76
CC1=NN(CCO)C=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012886843	0	57	0.0	-66.87	448.27	3.28	-63.59
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2COC[C@@H]2F)CC1	REAL300012887046	0	48	0.0	-63.28	370.71	4.18	-59.10
C=C1COCC1NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012887405	0	49	0.0	-59.18	373.58	3.99	-55.19
C=CCOCC(NC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300012887600	0	44	0.0	-76.40	359.29	2.49	-73.91
C=CCOCC(NC(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300012887600	1	44	0.0	-68.48	359.08	2.53	-65.95
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012887601	0	47	0.0	-75.16	362.70	2.74	-72.42
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012887601	1	47	0.0	-70.29	357.12	2.47	-67.82
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012887602	0	43	0.0	-65.60	361.59	4.89	-60.71
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012887602	1	43	0.0	-67.54	360.96	4.88	-62.66
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012887603	0	43	0.0	-64.78	371.24	5.41	-59.37
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012887603	1	43	0.0	-67.75	371.45	5.30	-62.45
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012887604	0	47	0.0	-79.99	352.82	4.68	-75.31
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012887604	1	47	0.0	-75.67	354.55	4.54	-71.13
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012887605	0	47	0.0	-65.46	360.69	2.80	-62.66
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012887605	1	47	0.0	-64.51	360.67	2.79	-61.72
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012887606	0	46	0.0	-64.88	375.37	5.54	-59.34
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012887606	1	46	0.0	-69.87	375.58	5.43	-64.44
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012887607	0	48	0.0	-73.03	384.54	4.69	-68.34
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012887607	1	48	0.0	-72.67	384.74	4.59	-68.08
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012887608	0	49	0.0	-68.96	391.68	6.09	-62.87
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012887608	1	49	0.0	-68.70	391.39	6.16	-62.54
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012887609	0	49	0.0	-68.98	387.99	5.98	-63.00
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012887609	1	49	0.0	-73.04	386.71	5.96	-67.08
COC1=CC=C(C(NC(=O)N[C@@H]2C[N@@H+](C)C[C@H]2OC)C(=O)[O-])C=C1Cl	REAL300012887610	0	47	0.0	-68.04	394.17	4.69	-63.35
COC1=CC=C(C(NC(=O)N[C@@H]2C[N@H+](C)C[C@H]2OC)C(=O)[O-])C=C1Cl	REAL300012887610	1	47	0.0	-70.80	394.38	4.59	-66.21
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012887611	0	49	0.0	-74.59	381.51	5.89	-68.70
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012887611	1	49	0.0	-67.90	379.50	5.89	-62.01
COC1=CC=C(C(NC(=O)N[C@@H]2C[N@@H+](C)C[C@H]2OC)C(=O)[O-])C=C1F	REAL300012887612	0	47	0.0	-69.40	384.61	4.13	-65.27
COC1=CC=C(C(NC(=O)N[C@@H]2C[N@H+](C)C[C@H]2OC)C(=O)[O-])C=C1F	REAL300012887612	1	47	0.0	-70.83	383.98	4.13	-66.70
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012887613	0	49	0.0	-59.70	408.23	8.52	-51.18
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012887613	1	49	0.0	-59.01	408.30	8.50	-50.51
CCCN(C(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC)C(COC)C(=O)[O-]	REAL300012887614	0	49	0.0	-72.21	371.00	4.99	-67.22
CCCN(C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC)C(COC)C(=O)[O-]	REAL300012887614	1	49	0.0	-66.54	369.71	4.83	-61.71
CCCN(C(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC)C(CC)C(=O)[O-]	REAL300012887615	0	48	0.0	-70.07	358.39	6.11	-63.96
CCCN(C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC)C(CC)C(=O)[O-]	REAL300012887615	1	48	0.0	-67.95	359.92	6.89	-61.06
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012887616	0	43	0.0	-71.87	364.92	5.32	-66.55
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012887616	1	43	0.0	-69.03	364.96	5.32	-63.71
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CCSCC1C(=O)[O-]	REAL300012887617	0	41	0.0	-77.96	322.75	5.77	-72.19
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CCSCC1C(=O)[O-]	REAL300012887617	1	41	0.0	-74.40	322.59	5.69	-68.71
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012887618	0	49	0.0	-71.30	347.74	5.58	-65.72
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012887618	1	49	0.0	-69.33	347.81	5.55	-63.78
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012887619	0	46	0.0	-68.16	370.90	5.78	-62.38
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012887619	1	46	0.0	-73.14	370.27	5.69	-67.45
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012887620	0	46	0.0	-47.96	363.48	7.21	-40.75
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012887620	1	46	0.0	-61.17	369.52	7.50	-53.67
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012887621	0	43	0.0	-67.60	348.64	4.84	-62.76
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012887621	1	43	0.0	-67.01	348.64	4.83	-62.18
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012887622	0	43	0.0	-67.64	348.64	4.84	-62.80
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012887622	1	43	0.0	-73.04	348.16	4.78	-68.26
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012887623	0	46	0.0	-68.16	370.90	5.78	-62.38
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012887623	1	46	0.0	-73.14	370.27	5.69	-67.45
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012887624	0	47	0.0	-80.61	360.80	7.86	-72.75
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012887624	1	47	0.0	-78.37	360.54	7.79	-70.58
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012887625	0	40	0.0	-71.73	340.23	3.91	-67.82
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012887625	1	40	0.0	-71.10	340.47	3.84	-67.26
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012887626	0	46	0.0	-59.78	386.23	8.04	-51.74
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012887626	1	46	0.0	-50.08	380.23	7.71	-42.37
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012887627	0	50	0.0	-75.49	400.18	5.77	-69.72
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012887627	1	50	0.0	-74.04	400.19	5.77	-68.27
COC1=CC(CN(CC(=O)[O-])C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2OC)=CC(OC)=C1	REAL300012887628	0	54	0.0	-61.82	428.63	6.11	-55.71
COC1=CC(CN(CC(=O)[O-])C(=O)N[C@@H]2C[N@H+](C)C[C@H]2OC)=CC(OC)=C1	REAL300012887628	1	54	0.0	-55.84	428.45	6.11	-49.73
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012887629	0	43	0.0	-71.66	369.48	5.43	-66.23
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012887629	1	43	0.0	-68.93	369.52	5.42	-63.51
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012887630	0	46	0.0	-60.08	375.91	7.59	-52.49
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012887630	1	46	0.0	-59.07	369.96	7.27	-51.80
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012887631	0	47	0.0	-78.41	368.22	6.08	-72.33
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012887631	1	47	0.0	-68.94	368.30	5.98	-62.96
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012887632	0	43	0.0	-73.55	358.90	4.93	-68.62
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012887632	1	43	0.0	-66.90	359.47	4.98	-61.92
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012887633	0	46	0.0	-75.68	356.57	5.56	-70.12
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012887633	1	46	0.0	-73.38	356.63	5.51	-67.87
CCCCCCC(C)(NC(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300012887634	0	54	0.0	-65.63	402.74	6.14	-59.49
CCCCCCC(C)(NC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300012887634	1	54	0.0	-73.93	402.84	6.15	-67.78
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012887635	0	49	0.0	-68.13	381.52	7.78	-60.35
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012887635	1	49	0.0	-72.90	380.12	7.72	-65.18
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012887636	0	43	0.0	-71.87	364.92	5.32	-66.55
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012887636	1	43	0.0	-69.03	364.96	5.32	-63.71
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012887637	0	49	0.0	-71.61	351.48	6.19	-65.42
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012887637	1	49	0.0	-77.98	351.46	6.20	-71.78
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012887638	0	49	0.0	-61.33	392.05	8.28	-53.05
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012887638	1	49	0.0	-53.19	386.70	8.06	-45.13
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012887639	0	46	0.0	-78.76	357.37	6.74	-72.02
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012887639	1	46	0.0	-72.41	359.99	6.63	-65.78
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012887640	0	47	0.0	-78.22	363.45	5.84	-72.38
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012887640	1	47	0.0	-69.98	363.54	5.85	-64.13
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012887641	0	50	0.0	-75.17	405.03	5.63	-69.54
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012887641	1	50	0.0	-73.29	404.77	5.71	-67.58
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012887642	0	49	0.0	-61.33	392.05	8.28	-53.05
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012887642	1	49	0.0	-53.19	386.70	8.06	-45.13
CCCCCC(NC(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300012887643	0	48	0.0	-72.98	377.12	5.00	-67.98
CCCCCC(NC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300012887643	1	48	0.0	-66.74	377.18	5.00	-61.74
CCC1CCC(NC(=O)N[C@@H]2C[N@H+](C)C[C@H]2OC)(C(=O)[O-])CC1	REAL300012887644	0	52	0.0	-68.73	381.19	6.14	-62.59
CCC1CCC(NC(=O)N[C@@H]2C[N@@H+](C)C[C@H]2OC)(C(=O)[O-])CC1	REAL300012887644	1	52	0.0	-66.71	374.82	5.44	-61.27
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012887645	0	47	0.0	-48.78	355.49	4.40	-44.38
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012887645	1	47	0.0	-61.46	355.38	4.40	-57.06
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012887646	0	46	0.0	-72.63	388.51	6.53	-66.10
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012887646	1	46	0.0	-62.17	388.50	6.51	-55.66
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012887647	0	43	0.0	-74.87	358.98	5.18	-69.69
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012887647	1	43	0.0	-69.05	361.60	5.19	-63.86
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012887648	0	43	0.0	-78.67	352.47	4.86	-73.81
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012887648	1	43	0.0	-71.99	353.08	4.88	-67.11
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012887649	0	47	0.0	-63.56	364.30	7.10	-56.46
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012887649	1	47	0.0	-64.65	364.07	7.10	-57.55
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012887650	0	46	0.0	-78.59	386.13	6.00	-72.59
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012887650	1	46	0.0	-69.75	386.06	6.10	-63.65
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012887651	0	52	0.0	-77.95	413.71	7.73	-70.22
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012887651	1	52	0.0	-70.63	414.69	7.77	-62.86
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012887652	0	52	0.0	-67.25	393.03	5.89	-61.36
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012887652	1	52	0.0	-65.81	392.79	5.97	-59.84
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012887653	0	49	0.0	-52.89	381.37	8.43	-44.46
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012887653	1	49	0.0	-51.86	377.52	8.14	-43.72
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012887654	0	46	0.0	-70.25	370.25	5.45	-64.80
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012887654	1	46	0.0	-67.09	370.01	5.52	-61.57
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012887655	0	39	0.0	-67.44	328.63	3.39	-64.05
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012887655	1	39	0.0	-61.59	328.32	3.45	-58.14
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012887656	0	49	0.0	-74.95	394.82	7.04	-67.91
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012887656	1	49	0.0	-73.74	394.57	7.10	-66.64
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012887657	0	44	0.0	-75.29	339.68	4.59	-70.70
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012887657	1	44	0.0	-65.49	339.76	4.56	-60.93
CCOCC(C(=O)[O-])N(C)C(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC	REAL300012887658	0	46	0.0	-66.22	355.62	4.08	-62.14
CCOCC(C(=O)[O-])N(C)C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC	REAL300012887658	1	46	0.0	-67.00	355.63	4.11	-62.89
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC	REAL300012887659	0	52	0.0	-51.45	389.15	7.95	-43.50
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC	REAL300012887659	1	52	0.0	-60.11	390.45	8.00	-52.11
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012887660	0	42	0.0	-61.05	350.26	5.63	-55.42
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012887660	1	42	0.0	-62.16	350.19	5.63	-56.53
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012887661	0	49	0.0	-68.57	366.44	4.90	-63.67
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012887661	1	49	0.0	-67.69	365.70	4.96	-62.73
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012887662	0	46	0.0	-63.97	404.35	6.78	-57.19
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012887662	1	46	0.0	-64.02	404.28	6.79	-57.23
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012887663	0	50	0.0	-65.97	382.83	5.49	-60.48
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012887663	1	50	0.0	-70.87	382.13	5.39	-65.48
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012887664	0	50	0.0	-80.03	387.92	8.71	-71.32
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012887664	1	50	0.0	-76.83	386.79	8.83	-68.00
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012887665	0	44	0.0	-70.24	333.53	2.43	-67.81
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012887665	1	44	0.0	-68.45	333.55	2.42	-66.03
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012887666	0	49	0.0	-42.83	379.04	8.48	-34.35
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012887666	1	49	0.0	-45.33	378.32	8.53	-36.80
COC1=CC=C(C(NC(=O)N[C@@H]2C[N@@H+](C)C[C@H]2OC)C(=O)[O-])C=C1	REAL300012887667	0	47	0.0	-75.43	378.28	4.06	-71.37
COC1=CC=C(C(NC(=O)N[C@@H]2C[N@H+](C)C[C@H]2OC)C(=O)[O-])C=C1	REAL300012887667	1	47	0.0	-67.55	378.34	4.06	-63.49
CCC(COC)(NC(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300012887668	0	46	0.0	-77.44	351.76	3.23	-74.21
CCC(COC)(NC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300012887668	1	46	0.0	-71.96	351.51	3.24	-68.72
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012887669	0	49	0.0	-71.55	376.34	4.91	-66.64
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012887669	1	49	0.0	-66.41	375.28	4.75	-61.66
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012887670	0	46	0.0	-72.14	358.75	0.89	-71.25
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012887670	1	46	0.0	-70.98	358.67	0.91	-70.07
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012887671	0	48	0.0	-65.41	362.86	6.12	-59.29
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012887671	1	48	0.0	-64.55	361.96	6.16	-58.39
CCCC1(C(=O)[O-])CCCN1C(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC	REAL300012887672	0	49	0.0	-71.05	365.97	6.94	-64.11
CCCC1(C(=O)[O-])CCCN1C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC	REAL300012887672	1	49	0.0	-83.94	366.05	7.18	-76.76
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012887673	0	49	0.0	-56.73	379.47	8.29	-48.44
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012887673	1	49	0.0	-56.21	378.81	8.28	-47.93
CCC(NC(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012887674	0	49	0.0	-70.81	390.26	6.92	-63.89
CCC(NC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012887674	1	49	0.0	-72.70	390.31	6.91	-65.79
CCC(NC(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300012887675	0	49	0.0	-73.87	373.59	6.37	-67.50
CCC(NC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300012887675	1	49	0.0	-69.49	373.58	6.44	-63.05
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012887676	0	53	0.0	-79.93	399.46	3.90	-76.03
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012887676	1	53	0.0	-76.95	403.79	4.14	-72.81
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012887677	0	50	0.0	-75.33	384.42	3.96	-71.37
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012887677	1	50	0.0	-68.79	383.67	3.91	-64.88
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012887678	0	47	0.0	-48.78	355.49	4.40	-44.38
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012887678	1	47	0.0	-61.46	355.38	4.40	-57.06
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012887679	0	49	0.0	-59.98	364.36	6.78	-53.20
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012887679	1	49	0.0	-61.38	364.29	6.77	-54.61
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012887680	0	49	0.0	-79.18	355.95	5.30	-73.88
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012887680	1	49	0.0	-68.91	355.98	5.27	-63.64
COC1=CC=CC(C(NC(=O)N[C@@H]2C[N@@H+](C)C[C@H]2OC)C(=O)[O-])=C1	REAL300012887681	0	47	0.0	-70.27	378.15	4.13	-66.14
COC1=CC=CC(C(NC(=O)N[C@@H]2C[N@H+](C)C[C@H]2OC)C(=O)[O-])=C1	REAL300012887681	1	47	0.0	-74.75	378.36	4.01	-70.74
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012887682	0	43	0.0	-74.15	362.39	5.24	-68.91
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012887682	1	43	0.0	-67.48	363.84	5.30	-62.18
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012887683	0	44	0.0	-64.42	346.47	5.40	-59.02
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012887683	1	44	0.0	-57.50	346.25	5.35	-52.15
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012887684	0	40	0.0	-69.26	326.66	4.36	-64.90
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012887684	1	40	0.0	-67.45	326.60	4.33	-63.12
COC1=CC=CC([C@H](NC(=O)N[C@@H]2C[N@@H+](C)C[C@H]2OC)C(=O)[O-])=C1	REAL300012887685	0	47	0.0	-75.89	378.34	4.05	-71.84
COC1=CC=CC([C@H](NC(=O)N[C@@H]2C[N@H+](C)C[C@H]2OC)C(=O)[O-])=C1	REAL300012887685	1	47	0.0	-75.15	377.66	4.07	-71.08
COC(=O)C1CCC(C(=O)[O-])N(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2OC)C1	REAL300012887686	0	49	0.0	-79.51	377.78	6.45	-73.06
COC(=O)C1CCC(C(=O)[O-])N(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2OC)C1	REAL300012887686	1	49	0.0	-75.06	377.07	6.22	-68.84
COC1=CC=CC(CC(NC(=O)N[C@@H]2C[N@@H+](C)C[C@H]2OC)C(=O)[O-])=C1	REAL300012887687	0	50	0.0	-66.77	400.30	5.09	-61.68
COC1=CC=CC(CC(NC(=O)N[C@@H]2C[N@H+](C)C[C@H]2OC)C(=O)[O-])=C1	REAL300012887687	1	50	0.0	-66.01	400.37	5.07	-60.94
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012887688	0	52	0.0	-80.63	370.06	5.79	-74.84
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012887688	1	52	0.0	-68.76	370.11	5.76	-63.00
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012887689	0	49	0.0	-66.44	390.92	6.41	-60.03
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012887689	1	49	0.0	-72.20	390.92	6.40	-65.80
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012887690	0	48	0.0	-72.91	384.87	6.20	-66.71
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012887690	1	48	0.0	-71.91	384.81	6.21	-65.70
COC1CN(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2OC)C(C)(C(=O)[O-])C1	REAL300012887691	0	47	0.0	-69.41	361.31	4.17	-65.24
COC1CN(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2OC)C(C)(C(=O)[O-])C1	REAL300012887691	1	47	0.0	-82.50	361.66	4.13	-78.37
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012887692	0	50	0.0	-72.12	379.87	4.21	-67.91
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012887692	1	50	0.0	-66.41	383.77	3.58	-62.83
C=C(Cl)CC(NC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300012887693	0	40	0.0	-73.75	341.11	3.76	-69.99
C=C(Cl)CC(NC(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300012887693	1	40	0.0	-63.52	341.07	3.81	-59.71
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012887694	0	49	0.0	-66.98	380.59	5.96	-61.02
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012887694	1	49	0.0	-72.85	380.60	5.95	-66.90
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012887695	0	40	0.0	-73.64	325.40	4.36	-69.28
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012887695	1	40	0.0	-72.45	325.26	4.37	-68.08
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012887696	0	50	0.0	-76.49	383.30	3.53	-72.96
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012887696	1	50	0.0	-67.07	379.88	4.15	-62.92
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012887697	0	47	0.0	-75.16	362.70	2.74	-72.42
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012887697	1	47	0.0	-70.29	357.12	2.47	-67.82
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012887698	0	43	0.0	-67.64	348.64	4.84	-62.80
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012887698	1	43	0.0	-73.04	348.16	4.78	-68.26
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012887699	0	46	0.0	-67.21	387.38	5.84	-61.37
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012887699	1	46	0.0	-66.72	387.64	5.72	-61.00
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012887700	0	42	0.0	-71.59	357.66	2.87	-68.72
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012887700	1	42	0.0	-70.46	357.67	2.86	-67.60
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012887701	0	51	0.0	-74.91	394.73	5.53	-69.38
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012887701	1	51	0.0	-66.15	394.42	5.59	-60.56
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012887702	0	49	0.0	-65.82	400.75	6.17	-59.65
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012887702	1	49	0.0	-65.30	400.74	6.17	-59.13
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012887703	0	47	0.0	-68.51	366.81	3.57	-64.94
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012887703	1	47	0.0	-70.32	369.07	2.98	-67.34
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012887704	0	46	0.0	-67.27	377.25	5.84	-61.43
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012887704	1	46	0.0	-65.61	377.26	5.81	-59.80
CCC(C)CC(NC(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300012887705	0	48	0.0	-73.49	369.56	4.64	-68.85
CCC(C)CC(NC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300012887705	1	48	0.0	-66.94	369.62	4.64	-62.30
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012887706	0	46	0.0	-72.65	377.25	5.83	-66.82
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012887706	1	46	0.0	-70.79	376.68	5.75	-65.04
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012887707	0	49	0.0	-76.40	388.70	6.95	-69.45
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012887707	1	49	0.0	-75.40	388.52	6.90	-68.50
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012887708	0	47	0.0	-77.66	392.60	4.67	-72.99
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012887708	1	47	0.0	-70.90	392.65	4.68	-66.22
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CCSCC1C(=O)[O-]	REAL300012887709	0	41	0.0	-77.96	322.75	5.77	-72.19
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CCSCC1C(=O)[O-]	REAL300012887709	1	41	0.0	-74.40	322.59	5.69	-68.71
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012887710	0	46	0.0	-75.68	356.57	5.56	-70.12
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012887710	1	46	0.0	-73.38	356.63	5.51	-67.87
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012887711	0	39	0.0	-63.73	325.26	4.99	-58.74
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012887711	1	39	0.0	-67.07	325.28	4.99	-62.08
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012887712	0	39	0.0	-63.73	325.26	4.99	-58.74
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012887712	1	39	0.0	-67.07	325.28	4.99	-62.08
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012887713	0	52	0.0	-50.29	398.98	2.99	-47.30
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012887713	1	52	0.0	-62.53	398.89	2.97	-59.56
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012887715	0	47	0.0	-61.00	366.54	7.44	-53.56
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012887715	1	47	0.0	-60.16	366.54	7.39	-52.77
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012887716	0	50	0.0	-64.95	375.70	7.76	-57.19
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012887716	1	50	0.0	-65.86	375.27	7.75	-58.11
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012887717	0	48	0.0	-69.37	368.40	5.90	-63.47
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012887717	1	48	0.0	-66.80	368.23	5.90	-60.90
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012887718	0	43	0.0	-67.60	348.64	4.84	-62.76
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012887718	1	43	0.0	-67.01	348.64	4.83	-62.18
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012887719	0	46	0.0	-66.25	387.57	5.77	-60.48
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012887719	1	46	0.0	-63.26	387.32	5.85	-57.41
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012887720	0	48	0.0	-69.31	388.72	4.78	-64.53
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012887720	1	48	0.0	-75.14	388.88	4.72	-70.42
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012887721	0	42	0.0	-70.27	357.07	2.71	-67.56
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012887721	1	42	0.0	-69.01	357.63	2.70	-66.31
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012887722	0	43	0.0	-69.99	376.34	4.52	-65.47
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012887722	1	43	0.0	-69.76	377.08	4.52	-65.24
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012887723	0	40	0.0	-66.24	361.10	4.47	-61.77
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012887723	1	40	0.0	-69.66	360.45	4.47	-65.19
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012887724	0	43	0.0	-85.02	341.93	2.17	-82.85
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012887724	1	43	0.0	-84.36	342.05	2.14	-82.22
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012887725	0	44	0.0	-72.39	339.79	3.96	-68.43
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012887725	1	44	0.0	-69.75	339.49	3.81	-65.94
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012887726	0	43	0.0	-73.45	348.60	4.84	-68.61
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012887726	1	43	0.0	-72.81	348.86	4.73	-68.08
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012887727	0	46	0.0	-71.33	358.25	4.10	-67.23
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012887727	1	46	0.0	-73.42	362.60	4.12	-69.30
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012887728	0	44	0.0	-71.55	346.07	0.65	-70.90
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012887728	1	44	0.0	-70.42	345.81	0.66	-69.76
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012887729	0	52	0.0	-74.93	392.44	3.92	-71.01
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012887729	1	52	0.0	-75.59	396.63	3.95	-71.64
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012887730	0	49	0.0	-70.10	356.63	5.03	-65.07
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012887730	1	49	0.0	-68.44	356.67	5.03	-63.41
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CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012887776	1	43	0.0	-71.94	347.72	4.27	-67.67
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012887778	0	55	0.0	-75.21	425.00	7.09	-68.12
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012887778	1	55	0.0	-66.62	424.82	7.17	-59.45
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012887779	0	52	0.0	-75.19	409.02	6.70	-68.49
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012887779	1	52	0.0	-67.24	409.05	6.70	-60.54
CCOC1=CC=C(C(NC(=O)N[C@@H]2C[N@H+](C)C[C@H]2OC)C(=O)[O-])C=C1	REAL300012887780	0	50	0.0	-67.36	400.19	4.98	-62.38
CCOC1=CC=C(C(NC(=O)N[C@@H]2C[N@@H+](C)C[C@H]2OC)C(=O)[O-])C=C1	REAL300012887780	1	50	0.0	-74.81	399.54	5.03	-69.78
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012887781	0	50	0.0	-77.06	368.06	7.27	-69.79
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012887781	1	50	0.0	-78.22	368.38	7.55	-70.67
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012887782	0	50	0.0	-76.14	391.50	6.57	-69.57
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012887782	1	50	0.0	-68.15	382.67	6.33	-61.82
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012887783	0	50	0.0	-80.18	391.29	5.78	-74.40
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012887783	1	50	0.0	-78.46	391.19	5.80	-72.66
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012887784	0	46	0.0	-70.66	379.35	5.94	-64.72
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012887784	1	46	0.0	-68.79	378.49	5.97	-62.82
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012887785	0	48	0.0	-75.12	373.24	4.76	-70.36
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012887785	1	48	0.0	-73.21	373.16	4.75	-68.46
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012887786	0	47	0.0	-42.72	358.37	6.08	-36.64
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012887786	1	47	0.0	-48.89	359.22	6.00	-42.89
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012887787	0	47	0.0	-72.19	363.06	3.29	-68.90
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012887787	1	47	0.0	-70.46	361.82	2.42	-68.04
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012887788	0	44	0.0	-78.99	354.49	5.77	-73.22
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012887788	1	44	0.0	-76.24	354.67	5.77	-70.47
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012887789	0	47	0.0	-80.21	348.03	5.53	-74.68
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012887789	1	47	0.0	-77.90	348.02	5.53	-72.37
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012887790	0	47	0.0	-70.57	356.38	5.03	-65.54
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012887790	1	47	0.0	-69.07	356.12	5.03	-64.04
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012887791	0	49	0.0	-66.44	379.70	7.62	-58.82
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012887791	1	49	0.0	-67.19	381.56	7.66	-59.53
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012887792	0	53	0.0	-47.02	387.52	7.03	-39.99
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012887792	1	53	0.0	-58.57	388.23	6.99	-51.58
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012887793	0	46	0.0	-47.96	363.48	7.21	-40.75
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012887793	1	46	0.0	-61.17	369.52	7.50	-53.67
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012887794	0	53	0.0	-75.42	422.38	8.21	-67.21
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012887794	1	53	0.0	-67.58	422.79	8.25	-59.33
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012887795	0	47	0.0	-59.99	375.86	7.20	-52.79
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012887795	1	47	0.0	-59.03	375.48	7.24	-51.79
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012887796	0	49	0.0	-64.87	395.41	6.54	-58.33
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012887796	1	49	0.0	-69.51	395.38	6.54	-62.97
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012887797	0	43	0.0	-78.91	334.10	6.00	-72.91
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012887797	1	43	0.0	-74.45	333.64	5.73	-68.72
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012887798	0	40	0.0	-78.77	325.35	4.35	-74.42
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012887798	1	40	0.0	-78.30	322.88	4.49	-73.81
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012887799	0	46	0.0	-65.18	377.50	5.78	-59.40
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012887799	1	46	0.0	-63.71	377.26	5.83	-57.88
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012887800	0	43	0.0	-74.58	361.95	4.63	-69.95
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012887800	1	43	0.0	-72.55	361.92	4.62	-67.93
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012887801	0	43	0.0	-70.88	341.05	5.37	-65.51
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012887801	1	43	0.0	-77.40	341.02	5.36	-72.04
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012887802	0	47	0.0	-72.79	375.82	5.43	-67.36
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012887802	1	47	0.0	-69.64	375.63	5.45	-64.19
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012887803	0	51	0.0	-81.15	398.57	7.04	-74.11
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012887803	1	51	0.0	-78.36	399.59	7.08	-71.28
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012887804	0	43	0.0	-74.58	361.95	4.63	-69.95
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012887804	1	43	0.0	-72.55	361.92	4.62	-67.93
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012887805	0	47	0.0	-76.35	349.71	5.99	-70.36
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012887805	1	47	0.0	-74.29	349.43	5.77	-68.52
COCCCC(NC(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300012887806	0	46	0.0	-72.04	367.80	2.51	-69.53
COCCCC(NC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300012887806	1	46	0.0	-73.77	367.84	2.54	-71.23
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012887807	0	48	0.0	-66.82	363.29	5.16	-61.66
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012887807	1	48	0.0	-66.61	363.22	5.13	-61.48
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012887808	0	47	0.0	-77.12	363.46	3.23	-73.89
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012887808	1	47	0.0	-74.27	360.54	2.79	-71.48
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012887809	0	43	0.0	-72.26	369.89	5.46	-66.80
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012887809	1	43	0.0	-71.31	370.15	5.34	-65.97
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012887810	0	47	0.0	-78.41	368.22	6.08	-72.33
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012887810	1	47	0.0	-68.94	368.30	5.98	-62.96
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012887811	0	44	0.0	-79.53	334.10	4.17	-75.36
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012887811	1	44	0.0	-76.79	334.50	4.12	-72.67
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012887812	0	46	0.0	-66.97	353.79	5.59	-61.38
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012887812	1	46	0.0	-67.13	353.70	5.60	-61.53
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012887813	0	57	0.0	-80.48	405.13	6.83	-73.65
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012887813	1	57	0.0	-77.27	404.48	6.87	-70.40
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012887814	0	49	0.0	-71.21	400.78	6.01	-65.20
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012887814	1	49	0.0	-70.79	401.02	5.95	-64.84
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012887815	0	43	0.0	-50.89	345.68	5.40	-45.49
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012887815	1	43	0.0	-54.21	345.63	5.39	-48.82
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012887816	0	54	0.0	-76.96	384.66	6.09	-70.87
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012887816	1	54	0.0	-72.60	382.77	6.22	-66.38
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012887817	0	45	0.0	-69.28	383.03	4.35	-64.93
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012887817	1	45	0.0	-68.48	382.89	4.31	-64.17
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2OC)C1	REAL300012887818	0	47	0.0	-75.02	365.67	4.62	-70.40
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2OC)C1	REAL300012887818	1	47	0.0	-81.14	367.17	4.29	-76.85
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1	REAL300012887925	0	57	0.0	-60.46	419.80	8.04	-52.42
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)C2(O)CCC2)CC1	REAL300012888170	0	60	0.0	-62.96	436.06	5.05	-57.91
CCSCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012888517	0	50	0.0	-58.56	392.26	6.27	-52.29
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CCC(CC2)C3(C)C)CC1	REAL300012889055	0	63	0.0	-62.91	450.78	8.82	-54.09
CC1=CC=CC(C)=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012889308	0	56	0.0	-63.47	425.81	8.45	-55.02
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3(C2)CCOCC3)CC1	REAL300012889897	0	61	0.0	-62.67	451.00	7.01	-55.66
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3(CCCOC3)O2)CC1	REAL300012890206	0	62	0.0	-65.64	461.61	5.84	-59.80
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2COCCO2)CC1	REAL300012890437	0	52	0.0	-61.53	392.10	3.39	-58.14
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)CC1	REAL300012890707	0	66	0.0	-61.77	470.47	9.54	-52.23
CN1C=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C(F)F)=N1	REAL300012891600	0	53	0.0	-71.59	427.57	6.00	-65.59
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CN(C2CC2)N=C1	REAL300012891891	0	57	0.0	-67.14	442.54	7.50	-59.64
COCC1=NOC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012892148	0	53	0.0	-66.31	421.65	4.46	-61.85
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C3CCOCC3=C2)CC1	REAL300012892445	0	58	0.0	-65.22	444.89	7.50	-57.72
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(=O)N2CC=CC2)CC1	REAL300012893244	0	52	0.0	-69.21	406.31	5.14	-64.07
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2OCCC2(C)C)CC1	REAL300012894158	0	57	0.0	-63.52	422.41	5.56	-57.96
C=CCCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCOCC1	REAL300012894443	0	64	0.0	-64.35	463.06	7.68	-56.67
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2=CN(C3CC3(F)F)N=C2)CC1	REAL300012895285	0	51	0.0	-60.66	402.13	6.40	-54.26
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3CCCC(C2)C3)CC1	REAL300012895578	0	63	0.0	-61.98	448.04	9.20	-52.78
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2C3CC4CC(C3)CC2C4)CC1	REAL300012895882	0	64	0.0	-58.25	442.02	9.06	-49.19
CN1N=CC=C1CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012896436	0	56	0.0	-62.54	429.23	6.28	-56.26
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C3OCCCC3=C2)CC1	REAL300012897062	0	58	0.0	-64.44	444.88	8.04	-56.40
CC(C)[C@@H]1C[C@H]1NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012897263	0	53	0.0	-58.44	398.01	7.02	-51.42
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC3(CC2)OCCO3)CC1	REAL300012897773	0	62	0.0	-64.93	447.69	6.70	-58.23
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC(C(F)F)=C2)CC1	REAL300012898071	0	53	0.0	-66.15	423.36	8.28	-57.87
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@H]2COCCO2)CC1	REAL300012898307	0	52	0.0	-63.63	397.04	3.68	-59.95
CC(C)CCOCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012898556	0	62	0.0	-59.12	463.65	7.06	-52.06
CCC1CCCC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012898812	0	62	0.0	-62.01	452.34	9.10	-52.91
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3OCCC3C2)CC1	REAL300012899059	0	58	0.0	-62.80	418.93	6.38	-56.42
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2NC(=O)CC2(C)C)CC1	REAL300012899306	0	57	0.0	-64.39	429.60	4.01	-60.38
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCSC2(C)C)CC1	REAL300012899582	0	57	0.0	-57.33	425.36	7.58	-49.75
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CC(CCC2)C(=O)N3)CC1	REAL300012900022	0	58	0.0	-63.32	429.63	4.71	-58.61
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@H]2CF)CC1	REAL300012900198	0	47	0.0	-62.65	369.41	6.08	-56.57
CC(C)C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900530	0	60	0.0	-67.98	431.94	9.64	-58.34
CC(C)C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900530	1	60	0.0	-72.89	432.69	9.58	-63.31
C=CCOCC(NC(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900531	0	59	0.0	-76.73	440.42	8.08	-68.65
C=CCOCC(NC(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900531	1	59	0.0	-73.43	439.95	8.18	-65.25
C=CC(C)C(NC(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900532	0	58	0.0	-69.65	423.52	9.51	-60.14
C=CC(C)C(NC(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900532	1	58	0.0	-70.23	422.79	9.35	-60.88
CC1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](CC3=CC=CC=C3)[C@@H](C)C2)C(C(=O)[O-])C1	REAL300012900533	0	61	0.0	-78.87	418.76	11.82	-67.05
CC1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](CC3=CC=CC=C3)[C@@H](C)C2)C(C(=O)[O-])C1	REAL300012900533	1	61	0.0	-82.58	424.50	11.82	-70.76
CCCN(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900534	0	57	0.0	-57.89	412.80	10.91	-46.98
CCCN(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900534	1	57	0.0	-60.70	413.35	10.82	-49.88
CC(C(=O)[O-])N(C(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C1CCC1	REAL300012900535	0	61	0.0	-58.65	424.78	11.17	-47.48
CC(C(=O)[O-])N(C(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C1CCC1	REAL300012900535	1	61	0.0	-63.29	425.34	11.15	-52.14
CCCN(C(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(CC)C(=O)[O-]	REAL300012900536	0	63	0.0	-69.51	439.18	11.87	-57.64
CCCN(C(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(CC)C(=O)[O-]	REAL300012900536	1	63	0.0	-70.09	439.89	11.80	-58.29
CC(C)C(NC(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900537	0	57	0.0	-70.09	405.64	8.76	-61.33
CC(C)C(NC(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900537	1	57	0.0	-75.08	406.04	8.56	-66.52
C[C@@H]1C[C@H](NC(=O)N2CCCCC2C(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900538	0	58	0.0	-84.17	404.02	11.46	-72.71
C[C@@H]1C[C@H](NC(=O)N2CCCCC2C(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900538	1	58	0.0	-80.05	404.05	11.56	-68.49
C[C@@H]1C[C@H](NC(=O)N2CCSCC2C(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900539	0	56	0.0	-80.95	403.72	11.25	-69.70
C[C@@H]1C[C@H](NC(=O)N2CCSCC2C(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900539	1	56	0.0	-77.62	403.74	11.44	-66.18
C[C@@H]1C[C@H](NC(=O)NC2(C(=O)[O-])CCCCC2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900540	0	61	0.0	-75.67	423.52	10.46	-65.21
C[C@@H]1C[C@H](NC(=O)NC2(C(=O)[O-])CCCCC2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900540	1	61	0.0	-72.60	422.97	10.54	-62.06
C[C@@H]1C[C@H](NC(=O)N2CCCC2C(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900541	0	55	0.0	-79.90	394.93	9.73	-70.17
C[C@@H]1C[C@H](NC(=O)N2CCCC2C(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900541	1	55	0.0	-74.23	394.44	9.87	-64.36
C[C@@H]1C[C@H](NC(=O)NC2(C(=O)[O-])CCCC2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900542	0	58	0.0	-75.77	408.91	9.35	-66.42
C[C@@H]1C[C@H](NC(=O)NC2(C(=O)[O-])CCCC2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900542	1	58	0.0	-74.12	407.97	9.42	-64.70
C[C@@H]1C[C@H](NC(=O)NCC(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900543	0	48	0.0	-63.60	351.30	6.41	-57.19
C[C@@H]1C[C@H](NC(=O)NCC(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900543	1	48	0.0	-60.58	350.89	6.53	-54.05
C[C@@H]1C[C@H](NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900544	0	58	0.0	-74.01	430.11	10.31	-63.70
C[C@@H]1C[C@H](NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900544	1	58	0.0	-70.46	429.46	10.52	-59.94
C[C@@H]1C[C@H](NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900545	0	58	0.0	-75.87	430.07	10.30	-65.57
C[C@@H]1C[C@H](NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900545	1	58	0.0	-71.53	428.82	10.43	-61.10
CCC(NC(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900546	0	54	0.0	-71.47	393.50	8.35	-63.12
CCC(NC(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900546	1	54	0.0	-71.62	393.11	8.26	-63.36
CC(C)C(NC(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900547	0	57	0.0	-70.09	405.64	8.76	-61.33
CC(C)C(NC(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900547	1	57	0.0	-75.08	406.04	8.56	-66.52
C[C@@H]1C[C@H](NC(=O)N(C)CC(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900548	0	51	0.0	-72.16	369.78	9.07	-63.09
C[C@@H]1C[C@H](NC(=O)N(C)CC(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900548	1	51	0.0	-67.27	369.53	9.20	-58.07
CC(NC(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900549	0	51	0.0	-62.85	372.64	7.29	-55.56
CC(NC(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900549	1	51	0.0	-64.62	372.08	7.22	-57.40
CCC(C)C(NC(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900550	0	60	0.0	-67.22	423.12	9.31	-57.91
CCC(C)C(NC(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900550	1	60	0.0	-72.12	426.96	9.46	-62.66
C[C@@H]1C[C@H](NC(=O)N(C)CC(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900551	0	51	0.0	-72.16	369.78	9.07	-63.09
C[C@@H]1C[C@H](NC(=O)N(C)CC(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900551	1	51	0.0	-67.27	369.53	9.20	-58.07
C[C@@H]1C[C@H](NC(=O)N2CCCCC2C(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900552	0	58	0.0	-84.17	404.02	11.46	-72.71
C[C@@H]1C[C@H](NC(=O)N2CCCCC2C(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900552	1	58	0.0	-80.05	404.05	11.56	-68.49
CCCC(C)(NC(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900553	0	60	0.0	-70.65	419.14	9.49	-61.16
CCCC(C)(NC(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900553	1	60	0.0	-71.97	419.55	9.36	-62.61
CC(C)N(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900554	0	57	0.0	-70.04	401.42	10.46	-59.58
CC(C)N(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900554	1	57	0.0	-60.75	403.91	10.47	-50.28
C[C@@H]1C[C@H](NC(=O)N(CC(=O)[O-])C2CC2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900555	0	55	0.0	-75.19	392.84	10.35	-64.84
C[C@@H]1C[C@H](NC(=O)N(CC(=O)[O-])C2CC2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900555	1	55	0.0	-55.97	393.99	10.73	-45.24
C=CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900556	0	55	0.0	-60.76	404.66	10.62	-50.14
C=CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900556	1	55	0.0	-57.56	404.22	10.71	-46.85
CC(C)CN(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900557	0	60	0.0	-57.69	427.35	11.45	-46.24
CC(C)CN(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900557	1	60	0.0	-60.61	428.01	11.34	-49.27
C[C@@H]1C[C@H](NC(=O)NC(C)(C)C(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900558	0	54	0.0	-62.62	384.68	7.61	-55.01
C[C@@H]1C[C@H](NC(=O)NC(C)(C)C(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900558	1	54	0.0	-61.54	384.18	7.75	-53.79
C[C@@H]1C[C@H](NC(=O)NC(C)(C(=O)[O-])C2CC2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900559	0	58	0.0	-72.79	407.51	9.38	-63.41
C[C@@H]1C[C@H](NC(=O)NC(C)(C(=O)[O-])C2CC2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900559	1	58	0.0	-67.39	407.00	9.49	-57.90
C[C@@H]1C[C@H](NC(=O)NC2(C(=O)[O-])CCCCC2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900560	0	61	0.0	-75.67	423.52	10.46	-65.21
C[C@@H]1C[C@H](NC(=O)NC2(C(=O)[O-])CCCCC2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900560	1	61	0.0	-72.60	422.97	10.54	-62.06
CC(C)N(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900561	0	57	0.0	-70.04	401.42	10.46	-59.58
CC(C)N(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900561	1	57	0.0	-60.75	403.91	10.47	-50.28
CCCN(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900562	0	57	0.0	-57.89	412.80	10.91	-46.98
CCCN(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900562	1	57	0.0	-60.70	413.35	10.82	-49.88
CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900563	0	54	0.0	-70.42	391.17	10.16	-60.26
CCN(CC(=O)[O-])C(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900563	1	54	0.0	-74.19	391.86	10.06	-64.13
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COCCCC(NC(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900690	1	61	0.0	-73.49	448.86	8.13	-65.36
CCCC(C(=O)[O-])N(C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900691	0	60	0.0	-68.43	425.22	11.26	-57.17
CCCC(C(=O)[O-])N(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900691	1	60	0.0	-70.82	426.92	11.17	-59.65
CCOCC(NC(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900692	0	58	0.0	-69.03	426.64	7.58	-61.45
CCOCC(NC(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300012900692	1	58	0.0	-76.60	427.62	7.46	-69.14
C[C@@H]1C[C@H](NC(=O)NC(CC(C)(C)C)C(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900693	0	63	0.0	-72.95	444.75	10.65	-62.30
C[C@@H]1C[C@H](NC(=O)NC(CC(C)(C)C)C(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900693	1	63	0.0	-71.60	443.77	10.75	-60.85
C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900694	0	59	0.0	-74.15	418.00	10.11	-64.04
C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C)[C@H]2C(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900694	1	59	0.0	-80.65	414.68	9.47	-71.18
C[C@@H]1C[C@H](NC(=O)NC(CCC#N)C(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900695	0	55	0.0	-73.34	414.78	8.75	-64.59
C[C@@H]1C[C@H](NC(=O)NC(CCC#N)C(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900695	1	55	0.0	-69.29	414.31	8.87	-60.42
C[C@@H]1C[C@H](NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300012900696	0	58	0.0	-61.59	432.53	11.21	-50.38
C[C@@H]1C[C@H](NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300012900696	1	58	0.0	-59.01	432.12	11.33	-47.68
C[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900697	0	54	0.0	-67.69	384.37	9.40	-58.29
C[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1	REAL300012900697	1	54	0.0	-70.14	384.95	9.30	-60.84
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC(C(C)(C)O)=C2)CC1	REAL300012900875	0	60	0.0	-66.39	460.21	6.11	-60.28
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2C[C@H]3CCCC[C@H]3C2)CC1	REAL300012901847	0	60	0.0	-62.08	431.28	8.73	-53.35
CC(C)CNC(=O)CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012902107	0	59	0.0	-63.76	447.54	4.81	-58.95
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3(CC3(F)F)C2)CC1	REAL300012902387	0	54	0.0	-65.30	425.47	8.04	-57.26
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC3=CC=CN=C32)CC1	REAL300012902694	0	59	0.0	-67.45	443.55	9.05	-58.40
CC1=COC(C)=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012902933	0	53	0.0	-64.81	412.76	6.75	-58.06
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC(=O)NC2CCC2)CC1	REAL300012903374	0	60	0.0	-65.78	455.53	5.52	-60.26
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CN=C3SC=CN23)CC1	REAL300012903937	0	50	0.0	-68.33	408.57	7.09	-61.24
CC(C)C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904064	0	51	0.0	-77.90	366.13	6.85	-71.05
CC(C)C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904064	1	51	0.0	-65.34	363.74	6.91	-58.43
C=CCOCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904065	0	50	0.0	-72.44	372.79	5.42	-67.02
C=CCOCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904065	1	50	0.0	-76.21	374.44	5.31	-70.90
C=CC(C)C(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904066	0	49	0.0	-70.77	350.69	6.48	-64.29
C=CC(C)C(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904066	1	49	0.0	-75.74	353.79	6.38	-69.36
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C2	REAL300012904067	0	53	0.0	-71.56	376.12	5.67	-65.89
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C2	REAL300012904067	1	53	0.0	-76.07	377.84	5.57	-70.50
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C2	REAL300012904068	0	49	0.0	-72.53	376.29	7.72	-64.81
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C2	REAL300012904068	1	49	0.0	-62.46	373.32	7.85	-54.61
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C2	REAL300012904069	0	49	0.0	-72.58	386.18	8.16	-64.42
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C2	REAL300012904069	1	49	0.0	-62.90	383.81	8.27	-54.63
COC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(C(=O)[O-])C1	REAL300012904070	0	53	0.0	-77.52	366.35	7.71	-69.81
COC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(C(=O)[O-])C1	REAL300012904070	1	53	0.0	-86.59	367.47	7.60	-78.99
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCCOC1)C2	REAL300012904071	0	53	0.0	-73.27	375.44	5.63	-67.64
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCCOC1)C2	REAL300012904071	1	53	0.0	-73.70	372.32	6.06	-67.64
CC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(C(=O)[O-])C1	REAL300012904072	0	52	0.0	-87.28	358.16	9.30	-77.98
CC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(C(=O)[O-])C1	REAL300012904072	1	52	0.0	-87.53	358.40	9.25	-78.28
CC1=CC(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])=CC=C1F	REAL300012904073	0	52	0.0	-74.67	389.72	8.34	-66.33
CC1=CC(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])=CC=C1F	REAL300012904073	1	52	0.0	-74.70	389.95	8.32	-66.38
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=C3OCCC3=C1)C2	REAL300012904074	0	54	0.0	-77.67	399.28	7.52	-70.15
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=C3OCCC3=C1)C2	REAL300012904074	1	54	0.0	-75.94	399.29	7.46	-68.48
CC1=CC(C)=CC(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])=C1	REAL300012904075	0	55	0.0	-71.82	405.13	9.02	-62.80
CC1=CC(C)=CC(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])=C1	REAL300012904075	1	55	0.0	-79.50	406.82	8.92	-70.58
CC1=CC=C(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])C=C1C	REAL300012904076	0	55	0.0	-79.03	401.39	8.84	-70.19
CC1=CC=C(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])C=C1C	REAL300012904076	1	55	0.0	-79.57	402.22	8.79	-70.78
COC1=CC=C(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])C=C1Cl	REAL300012904077	0	53	0.0	-75.99	409.10	7.45	-68.54
COC1=CC=C(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])C=C1Cl	REAL300012904077	1	53	0.0	-66.09	406.73	7.56	-58.53
CC1=CC=CC(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])=C1C	REAL300012904078	0	55	0.0	-76.56	396.45	8.71	-67.85
CC1=CC=CC(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])=C1C	REAL300012904078	1	55	0.0	-78.72	394.51	8.63	-70.09
COC1=CC=C(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])C=C1F	REAL300012904079	0	53	0.0	-75.77	398.69	7.01	-68.76
COC1=CC=C(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])C=C1F	REAL300012904079	1	53	0.0	-66.00	396.33	7.11	-58.89
CC(C(=O)[O-])N(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCC1	REAL300012904080	0	52	0.0	-61.71	358.00	8.49	-53.22
CC(C(=O)[O-])N(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCC1	REAL300012904080	1	52	0.0	-65.00	358.70	8.40	-56.60
CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(COC)C(=O)[O-]	REAL300012904081	0	55	0.0	-76.78	389.21	9.01	-67.77
CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(COC)C(=O)[O-]	REAL300012904081	1	55	0.0	-78.28	382.50	9.29	-68.99
CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(CC)C(=O)[O-]	REAL300012904082	0	54	0.0	-72.39	374.05	9.10	-63.29
CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(CC)C(=O)[O-]	REAL300012904082	1	54	0.0	-64.91	371.25	9.15	-55.76
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCCCC1C(=O)[O-])C2	REAL300012904083	0	49	0.0	-77.15	336.52	8.80	-68.35
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCCCC1C(=O)[O-])C2	REAL300012904083	1	49	0.0	-87.40	337.56	8.64	-78.76
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C2	REAL300012904084	0	49	0.0	-74.30	379.67	8.15	-66.15
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C2	REAL300012904084	1	49	0.0	-62.96	377.94	8.21	-54.75
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCSCC1C(=O)[O-])C2	REAL300012904085	0	47	0.0	-75.01	335.99	8.62	-66.39
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCSCC1C(=O)[O-])C2	REAL300012904085	1	47	0.0	-78.90	334.08	8.71	-70.19
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C2	REAL300012904086	0	52	0.0	-73.29	355.91	7.83	-65.46
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C2	REAL300012904086	1	52	0.0	-77.98	356.77	7.72	-70.26
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCC1)C2	REAL300012904087	0	49	0.0	-76.65	340.34	6.93	-69.72
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCC1)C2	REAL300012904087	1	49	0.0	-78.08	342.34	6.62	-71.46
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCCCC1)C2	REAL300012904088	0	55	0.0	-72.12	365.69	8.33	-63.79
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCCCC1)C2	REAL300012904088	1	55	0.0	-67.34	360.07	8.46	-58.88
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C2	REAL300012904089	0	52	0.0	-71.55	383.72	8.67	-62.88
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C2	REAL300012904089	1	52	0.0	-76.79	386.19	8.54	-68.25
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C2	REAL300012904090	0	52	0.0	-61.98	383.11	10.45	-51.53
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C2	REAL300012904090	1	52	0.0	-59.39	384.74	10.33	-49.06
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C2	REAL300012904091	0	49	0.0	-71.51	362.12	7.78	-63.73
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C2	REAL300012904091	1	49	0.0	-75.90	363.64	7.65	-68.25
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C2	REAL300012904092	0	49	0.0	-71.53	361.63	7.73	-63.80
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C2	REAL300012904092	1	49	0.0	-75.84	363.35	7.62	-68.22
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C2	REAL300012904093	0	52	0.0	-71.55	383.72	8.67	-62.88
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C2	REAL300012904093	1	52	0.0	-76.79	386.19	8.54	-68.25
CCC(C)C(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904094	0	51	0.0	-71.81	361.16	6.84	-64.97
CCC(C)C(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904094	1	51	0.0	-73.51	359.76	6.68	-66.83
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCCCC1C(=O)[O-])C2	REAL300012904095	0	49	0.0	-77.15	336.52	8.80	-68.35
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCCCC1C(=O)[O-])C2	REAL300012904095	1	49	0.0	-87.40	337.56	8.64	-78.76
CCCC(C)(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904096	0	51	0.0	-77.75	353.04	6.65	-71.10
CCCC(C)(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904096	1	51	0.0	-75.18	349.96	7.06	-68.12
CC(C)CN(CC(=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904097	0	51	0.0	-58.84	361.29	8.40	-50.44
CC(C)CN(CC(=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904097	1	51	0.0	-57.63	358.92	8.50	-49.13
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3=CC=CC=C3CC1C(=O)[O-])C2	REAL300012904098	0	53	0.0	-77.64	374.37	10.79	-66.85
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3=CC=CC=C3CC1C(=O)[O-])C2	REAL300012904098	1	53	0.0	-86.39	375.30	10.54	-75.85
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(C(=O)[O-])C1CC1)C2	REAL300012904099	0	49	0.0	-75.47	341.03	6.65	-68.82
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(C(=O)[O-])C1CC1)C2	REAL300012904099	1	49	0.0	-66.20	338.53	6.73	-59.47
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=CS1)C2	REAL300012904100	0	46	0.0	-76.67	355.23	6.68	-69.99
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=CS1)C2	REAL300012904100	1	46	0.0	-73.89	355.22	6.74	-67.15
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C2	REAL300012904101	0	52	0.0	-73.29	355.91	7.83	-65.46
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCCC1)C2	REAL300012904101	1	52	0.0	-77.98	356.77	7.72	-70.26
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C2	REAL300012904102	0	52	0.0	-60.77	401.07	10.86	-49.91
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C2	REAL300012904102	1	52	0.0	-61.88	395.34	11.17	-50.71
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C(=O)[O-])C2	REAL300012904103	0	56	0.0	-72.02	413.43	8.77	-63.25
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](CC1=CNC3=CC=CC=C13)C(=O)[O-])C2	REAL300012904103	1	56	0.0	-80.20	415.18	8.59	-71.61
CC[C@H](C)[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904104	0	51	0.0	-78.43	358.72	6.48	-71.95
CC[C@H](C)[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904104	1	51	0.0	-65.86	356.28	6.56	-59.30
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCC1)C2	REAL300012904105	0	49	0.0	-76.65	340.34	6.93	-69.72
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCC1)C2	REAL300012904105	1	49	0.0	-78.08	342.34	6.62	-71.46
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C2	REAL300012904106	0	52	0.0	-60.96	390.75	10.41	-50.55
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C2	REAL300012904106	1	52	0.0	-62.01	385.02	10.71	-51.30
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)C2	REAL300012904107	0	53	0.0	-73.08	381.87	8.95	-64.13
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)C2	REAL300012904107	1	53	0.0	-78.47	383.29	8.81	-69.66
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C2	REAL300012904108	0	49	0.0	-75.60	374.19	7.81	-67.79
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C2	REAL300012904108	1	49	0.0	-75.84	371.11	8.25	-67.59
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C2	REAL300012904109	0	52	0.0	-70.52	370.05	8.48	-62.04
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C2	REAL300012904109	1	52	0.0	-79.39	371.78	8.36	-71.03
CCCCCCC(C)(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904110	0	60	0.0	-69.81	416.26	9.08	-60.73
CCCCCCC(C)(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904110	1	60	0.0	-75.02	417.95	8.97	-66.05
CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012904111	0	55	0.0	-74.40	396.47	10.50	-63.90
CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012904111	1	55	0.0	-74.11	389.19	10.87	-63.24
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C2	REAL300012904112	0	49	0.0	-74.30	379.67	8.15	-66.15
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C2	REAL300012904112	1	49	0.0	-62.96	377.94	8.21	-54.75
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCOCC1C(=O)[O-])C2	REAL300012904113	0	47	0.0	-82.73	327.86	6.02	-76.71
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCOCC1C(=O)[O-])C2	REAL300012904113	1	47	0.0	-78.42	325.31	6.32	-72.10
CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1(C(=O)[O-])CCCCC1	REAL300012904114	0	55	0.0	-83.36	366.22	9.04	-74.32
CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1(C(=O)[O-])CCCCC1	REAL300012904114	1	55	0.0	-79.29	366.04	9.03	-70.26
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C2	REAL300012904115	0	55	0.0	-62.75	405.44	11.23	-51.52
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C2	REAL300012904115	1	55	0.0	-59.18	404.41	11.22	-47.96
CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012904116	0	52	0.0	-82.83	372.19	9.57	-73.26
CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012904116	1	52	0.0	-64.87	368.47	9.26	-55.61
COCCN(CC(=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904117	0	49	0.0	-62.90	355.41	6.63	-56.27
COCCN(CC(=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904117	1	49	0.0	-59.29	354.38	6.62	-52.67
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCC3=CC=CC=C31)C2	REAL300012904118	0	53	0.0	-83.00	378.30	8.66	-74.34
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCC3=CC=CC=C31)C2	REAL300012904118	1	53	0.0	-80.20	378.67	8.65	-71.55
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCCC[C@@H]1C(=O)[O-])C2	REAL300012904119	0	49	0.0	-76.55	335.89	8.54	-68.01
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCCC[C@@H]1C(=O)[O-])C2	REAL300012904119	1	49	0.0	-85.01	337.17	8.42	-76.59
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCCC1(C)C(=O)[O-])C2	REAL300012904120	0	49	0.0	-81.34	339.64	8.32	-73.02
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCCC1(C)C(=O)[O-])C2	REAL300012904120	1	49	0.0	-80.43	343.20	7.97	-72.46
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H](CC1=CNC3=CC=CC=C13)C(=O)[O-])C2	REAL300012904121	0	56	0.0	-77.65	418.26	8.65	-69.00
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H](CC1=CNC3=CC=CC=C13)C(=O)[O-])C2	REAL300012904121	1	56	0.0	-83.31	420.03	8.45	-74.86
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCCCCC1C(=O)[O-])C2	REAL300012904122	0	52	0.0	-74.56	353.63	9.68	-64.88
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCCCCC1C(=O)[O-])C2	REAL300012904122	1	52	0.0	-81.41	352.19	9.29	-72.12
CCCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904123	0	51	0.0	-70.66	369.18	7.18	-63.48
CCCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904123	1	51	0.0	-74.06	369.98	7.08	-66.98
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C2	REAL300012904124	0	55	0.0	-62.75	405.44	11.23	-51.52
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C2	REAL300012904124	1	55	0.0	-59.18	404.41	11.22	-47.96
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@@]1(C)C(=O)[O-])C2	REAL300012904125	0	49	0.0	-74.31	342.07	8.09	-66.22
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@@]1(C)C(=O)[O-])C2	REAL300012904125	1	49	0.0	-83.87	343.54	7.95	-75.92
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C2	REAL300012904126	0	52	0.0	-57.52	355.66	8.68	-48.84
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C2	REAL300012904126	1	52	0.0	-56.93	353.25	8.77	-48.16
CCCCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904127	0	54	0.0	-70.01	389.84	7.99	-62.02
CCCCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904127	1	54	0.0	-74.00	391.48	7.86	-66.14
CCC1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)(C(=O)[O-])CC1	REAL300012904128	0	58	0.0	-72.14	394.98	9.08	-63.06
CCC1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)(C(=O)[O-])CC1	REAL300012904128	1	58	0.0	-77.33	389.51	8.24	-69.09
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C2	REAL300012904129	0	53	0.0	-61.29	368.85	7.34	-53.95
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C2	REAL300012904129	1	53	0.0	-57.74	367.80	7.33	-50.41
CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1(C(=O)[O-])CCCC1	REAL300012904130	0	52	0.0	-80.95	353.01	8.35	-72.60
CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1(C(=O)[O-])CCCC1	REAL300012904130	1	52	0.0	-71.49	350.42	8.43	-63.06
CC(C(=O)[O-])N(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1	REAL300012904131	0	49	0.0	-62.15	343.46	7.93	-54.22
CC(C(=O)[O-])N(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1	REAL300012904131	1	49	0.0	-65.13	343.47	7.90	-57.23
CCC(C(=O)[O-])N(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1	REAL300012904132	0	52	0.0	-63.65	363.97	9.01	-54.64
CCC(C(=O)[O-])N(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1	REAL300012904132	1	52	0.0	-61.27	364.14	9.11	-52.16
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C2	REAL300012904133	0	49	0.0	-80.28	375.55	8.03	-72.25
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C2	REAL300012904133	1	49	0.0	-80.30	375.73	8.01	-72.29
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C2	REAL300012904134	0	49	0.0	-83.73	367.77	7.75	-75.98
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C2	REAL300012904134	1	49	0.0	-84.38	368.24	7.68	-76.70
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC3=CC=CC=C3C1C(=O)[O-])C2	REAL300012904135	0	53	0.0	-64.35	377.68	10.05	-54.30
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC3=CC=CC=C3C1C(=O)[O-])C2	REAL300012904135	1	53	0.0	-66.69	378.96	9.91	-56.78
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C2	REAL300012904136	0	52	0.0	-79.71	400.98	8.88	-70.83
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C2	REAL300012904136	1	52	0.0	-80.60	397.48	9.21	-71.39
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=CC3=CC=CC=C31)C(=O)[O-])C2	REAL300012904137	0	58	0.0	-79.56	429.30	10.67	-68.89
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=CC3=CC=CC=C31)C(=O)[O-])C2	REAL300012904137	1	58	0.0	-68.68	426.09	10.66	-58.02
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCCCC1)C(=O)[O-])C2	REAL300012904138	0	58	0.0	-69.85	406.32	8.92	-60.93
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCCCC1)C(=O)[O-])C2	REAL300012904138	1	58	0.0	-77.90	407.70	8.79	-69.11
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904139	0	55	0.0	-58.78	392.39	10.49	-48.29
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904139	1	55	0.0	-64.30	386.56	11.28	-53.02
CC1=CC=C(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])C=C1	REAL300012904140	0	52	0.0	-76.01	384.77	8.36	-67.65
CC1=CC=C(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])C=C1	REAL300012904140	1	52	0.0	-66.50	382.62	8.36	-58.14
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C2	REAL300012904141	0	45	0.0	-64.44	342.11	6.34	-58.10
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C2	REAL300012904141	1	45	0.0	-71.53	343.75	6.21	-65.32
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC3=CC=CC=C3C=C1)C2	REAL300012904142	0	55	0.0	-79.76	409.34	9.94	-69.82
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC3=CC=CC=C3C=C1)C2	REAL300012904142	1	55	0.0	-67.79	407.24	9.97	-57.82
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCSCC1)C2	REAL300012904143	0	50	0.0	-77.35	354.65	7.40	-69.95
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCSCC1)C2	REAL300012904143	1	50	0.0	-63.42	352.06	7.47	-55.95
COCC(C)(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904144	0	49	0.0	-81.82	349.79	5.18	-76.64
COCC(C)(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904144	1	49	0.0	-79.15	346.71	5.59	-73.56
CCOCC(C(=O)[O-])N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904145	0	52	0.0	-72.23	370.44	6.93	-65.30
CCOCC(C(=O)[O-])N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904145	1	52	0.0	-73.05	364.07	7.14	-65.91
CC(C)CN(CC(=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904146	0	51	0.0	-58.84	361.29	8.40	-50.44
CC(C)CN(CC(=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904146	1	51	0.0	-57.63	358.92	8.50	-49.13
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904147	0	58	0.0	-57.58	403.91	10.79	-46.79
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904147	1	58	0.0	-53.54	408.62	11.12	-42.42
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C2	REAL300012904148	0	48	0.0	-61.33	363.66	8.58	-52.75
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C2	REAL300012904148	1	48	0.0	-58.01	362.64	8.57	-49.44
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCOC1)C2	REAL300012904149	0	47	0.0	-69.22	331.88	4.10	-65.12
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCOC1)C2	REAL300012904149	1	47	0.0	-63.25	330.74	4.06	-59.19
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCCCC1)C2	REAL300012904150	0	55	0.0	-76.95	381.15	7.73	-69.22
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCCCC1)C2	REAL300012904150	1	55	0.0	-66.32	383.70	8.06	-58.26
CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(COC1CCC1)C(=O)[O-]	REAL300012904151	0	56	0.0	-73.22	396.68	8.31	-64.91
CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(COC1CCC1)C(=O)[O-]	REAL300012904151	1	56	0.0	-66.99	394.27	8.40	-58.59
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C2	REAL300012904152	0	56	0.0	-76.90	400.03	11.80	-65.10
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C2	REAL300012904152	1	56	0.0	-84.49	401.73	11.68	-72.81
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCOCC1)C2	REAL300012904153	0	50	0.0	-80.65	348.38	5.25	-75.40
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCOCC1)C2	REAL300012904153	1	50	0.0	-66.36	345.78	5.30	-61.06
C=CCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904154	0	49	0.0	-69.67	359.66	6.99	-62.68
C=CCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904154	1	49	0.0	-73.80	361.30	6.86	-66.94
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904155	0	55	0.0	-72.08	391.89	11.32	-60.76
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904155	1	55	0.0	-81.76	393.57	11.18	-70.58
CCC(CC)(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904156	0	51	0.0	-75.54	347.93	6.78	-68.76
CCC(CC)(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904156	1	51	0.0	-75.08	344.85	7.19	-67.89
COC1=CC=C(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])C=C1	REAL300012904157	0	53	0.0	-78.20	393.04	6.89	-71.31
COC1=CC=C(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])C=C1	REAL300012904157	1	53	0.0	-66.12	390.70	6.98	-59.14
CCC(C)N(CC(=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904158	0	51	0.0	-62.84	356.10	8.67	-54.17
CCC(C)N(CC(=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904158	1	51	0.0	-63.84	350.34	8.97	-54.87
CCC(COC)(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904159	0	52	0.0	-74.86	365.23	6.20	-68.66
CCC(COC)(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904159	1	52	0.0	-80.17	366.88	6.07	-74.10
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904160	0	55	0.0	-74.62	390.72	7.68	-66.94
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904160	1	55	0.0	-73.40	384.96	7.99	-65.41
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C2	REAL300012904161	0	52	0.0	-74.15	372.40	3.82	-70.33
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C2	REAL300012904161	1	52	0.0	-82.05	373.29	3.72	-78.33
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CC1)C(=O)[O-])C2	REAL300012904162	0	49	0.0	-77.39	359.06	7.08	-70.31
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CC1)C(=O)[O-])C2	REAL300012904162	1	49	0.0	-76.79	358.44	7.08	-69.71
COCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904163	0	49	0.0	-70.90	359.85	4.70	-66.20
COCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904163	1	49	0.0	-74.26	360.66	4.59	-69.67
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904164	0	54	0.0	-70.77	376.78	9.01	-61.76
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904164	1	54	0.0	-72.96	371.86	9.27	-63.69
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC(F)F)C(=O)[O-])C2	REAL300012904165	0	45	0.0	-69.88	338.53	5.92	-63.96
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC(F)F)C(=O)[O-])C2	REAL300012904165	1	45	0.0	-70.15	338.44	6.05	-64.10
CCCC1(C(=O)[O-])CCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904166	0	55	0.0	-83.40	378.01	9.93	-73.47
CCCC1(C(=O)[O-])CCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904166	1	55	0.0	-83.18	374.93	10.36	-72.82
CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C(=O)[O-]	REAL300012904167	0	51	0.0	-51.80	357.72	9.07	-42.73
CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C(=O)[O-]	REAL300012904167	1	51	0.0	-59.80	345.21	9.04	-50.76
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904168	0	55	0.0	-53.76	395.14	11.21	-42.55
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904168	1	55	0.0	-54.95	392.86	11.46	-43.49
CCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012904169	0	55	0.0	-76.65	405.04	9.76	-66.89
CCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012904169	1	55	0.0	-74.34	401.93	10.17	-64.17
CCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012904170	0	55	0.0	-72.15	386.96	9.34	-62.81
CCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012904170	1	55	0.0	-77.53	388.68	9.22	-68.31
COC1CCCC(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])C1	REAL300012904171	0	59	0.0	-74.98	411.56	6.88	-68.10
COC1CCCC(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])C1	REAL300012904171	1	59	0.0	-80.03	409.85	7.24	-72.79
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CCF)C(=O)[O-])C2	REAL300012904172	0	45	0.0	-69.59	332.77	5.78	-63.81
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CCF)C(=O)[O-])C2	REAL300012904172	1	45	0.0	-72.69	333.58	5.67	-67.02
COC1(CC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])CCC1	REAL300012904173	0	56	0.0	-74.09	397.56	6.69	-67.40
COC1(CC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])CCC1	REAL300012904173	1	56	0.0	-73.88	397.68	6.68	-67.20
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C2	REAL300012904174	0	53	0.0	-61.29	368.85	7.34	-53.95
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])C1CCOCC1)C2	REAL300012904174	1	53	0.0	-57.74	367.80	7.33	-50.41
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])C1CCCCC1)C2	REAL300012904175	0	55	0.0	-58.86	379.11	9.62	-49.24
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])C1CCCCC1)C2	REAL300012904175	1	55	0.0	-58.12	376.69	9.70	-48.42
C[C@H]1CC[C@@](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)(C(=O)[O-])CC1	REAL300012904176	0	55	0.0	-72.27	369.44	8.23	-64.04
C[C@H]1CC[C@@](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)(C(=O)[O-])CC1	REAL300012904176	1	55	0.0	-78.22	370.91	8.09	-70.13
COC1=CC=CC(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])=C1	REAL300012904177	0	53	0.0	-78.81	393.08	6.89	-71.92
COC1=CC=CC(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])=C1	REAL300012904177	1	53	0.0	-78.71	389.77	7.40	-71.31
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(CCF)C(=O)[O-])C2	REAL300012904178	0	48	0.0	-66.53	336.86	6.13	-60.40
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(CCF)C(=O)[O-])C2	REAL300012904178	1	48	0.0	-71.32	338.55	6.02	-65.30
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC3=C(C=CO3)C1C(=O)[O-])C2	REAL300012904179	0	50	0.0	-64.82	359.10	8.19	-56.63
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC3=C(C=CO3)C1C(=O)[O-])C2	REAL300012904179	1	50	0.0	-65.11	360.35	8.05	-57.06
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C2	REAL300012904180	0	46	0.0	-70.34	340.20	7.31	-63.03
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C2	REAL300012904180	1	46	0.0	-75.99	341.63	7.17	-68.82
COC1=CC=CC([C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])=C1	REAL300012904181	0	53	0.0	-73.11	391.74	6.99	-66.12
COC1=CC=CC([C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])=C1	REAL300012904181	1	53	0.0	-69.55	389.99	7.00	-62.55
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1	REAL300012904182	0	55	0.0	-74.43	392.17	8.58	-65.85
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1	REAL300012904182	1	55	0.0	-81.48	393.48	8.46	-73.02
COC1=CC=CC(CC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])=C1	REAL300012904183	0	56	0.0	-78.21	415.32	7.84	-70.37
COC1=CC=CC(CC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])=C1	REAL300012904183	1	56	0.0	-76.31	411.37	8.29	-68.02
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C2	REAL300012904184	0	58	0.0	-79.44	384.75	8.61	-70.83
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C2	REAL300012904184	1	58	0.0	-79.01	381.76	9.02	-69.99
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3CC1(C(=O)[O-])C3)C2	REAL300012904185	0	47	0.0	-79.97	333.08	8.10	-71.87
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3CC1(C(=O)[O-])C3)C2	REAL300012904185	1	47	0.0	-89.97	335.76	7.79	-82.18
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C2	REAL300012904186	0	55	0.0	-68.67	404.47	9.36	-59.31
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C2	REAL300012904186	1	55	0.0	-73.81	406.11	9.23	-64.58
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C2	REAL300012904187	0	54	0.0	-82.14	399.63	9.05	-73.09
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C2	REAL300012904187	1	54	0.0	-79.65	396.51	9.46	-70.19
COC1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(C)(C(=O)[O-])C1	REAL300012904188	0	53	0.0	-77.62	372.49	7.35	-70.27
COC1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(C)(C(=O)[O-])C1	REAL300012904188	1	53	0.0	-84.26	376.44	6.94	-77.32
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCCOC1)C(=O)[O-])C2	REAL300012904189	0	56	0.0	-77.12	398.86	6.36	-70.76
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCCOC1)C(=O)[O-])C2	REAL300012904189	1	56	0.0	-65.79	392.25	7.12	-58.67
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2	REAL300012904190	0	51	0.0	-77.50	356.65	6.66	-70.84
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2	REAL300012904190	1	51	0.0	-66.10	355.74	6.72	-59.38
C=C(Cl)CC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904191	0	46	0.0	-70.84	355.45	6.69	-64.15
C=C(Cl)CC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904191	1	46	0.0	-75.53	357.08	6.58	-68.95
C=C(C)CC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904192	0	49	0.0	-70.13	358.93	6.85	-63.28
C=C(C)CC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904192	1	49	0.0	-74.96	361.41	6.71	-68.25
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C3CCC1(C(=O)[O-])CC3)C2	REAL300012904193	0	50	0.0	-90.60	348.20	8.87	-81.73
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C3CCC1(C(=O)[O-])CC3)C2	REAL300012904193	1	50	0.0	-88.40	344.55	9.28	-79.12
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C2	REAL300012904194	0	55	0.0	-69.22	394.15	8.91	-60.31
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C2	REAL300012904194	1	55	0.0	-74.37	395.79	8.78	-65.59
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C2	REAL300012904195	0	46	0.0	-69.47	338.70	7.27	-62.20
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C2	REAL300012904195	1	46	0.0	-64.11	337.75	7.29	-56.82
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C2	REAL300012904196	0	46	0.0	-79.12	329.60	7.42	-71.70
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C2	REAL300012904196	1	46	0.0	-82.28	333.82	7.10	-75.18
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1	REAL300012904197	0	47	0.0	-84.41	340.41	7.52	-76.89
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1	REAL300012904197	1	47	0.0	-71.02	339.01	7.51	-63.51
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCOCC1)C(=O)[O-])C2	REAL300012904198	0	56	0.0	-69.68	393.43	7.13	-62.55
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCOCC1)C(=O)[O-])C2	REAL300012904198	1	56	0.0	-77.44	394.83	7.06	-70.38
CC(C)C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904199	0	51	0.0	-77.90	366.13	6.85	-71.05
CC(C)C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904199	1	51	0.0	-65.34	363.74	6.91	-58.43
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C2	REAL300012904200	0	53	0.0	-71.56	376.12	5.67	-65.89
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCOCC1)C2	REAL300012904200	1	53	0.0	-76.07	377.84	5.57	-70.50
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C2	REAL300012904201	0	49	0.0	-71.53	361.63	7.73	-63.80
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C2	REAL300012904201	1	49	0.0	-75.84	363.35	7.62	-68.22
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C2	REAL300012904202	0	52	0.0	-76.99	402.11	8.67	-68.32
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C2	REAL300012904202	1	52	0.0	-75.34	399.24	9.01	-66.33
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CC1)C(=O)[O-])C2	REAL300012904203	0	49	0.0	-77.39	359.06	7.08	-70.31
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CC1)C(=O)[O-])C2	REAL300012904203	1	49	0.0	-76.79	358.44	7.08	-69.71
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CN=CS1)C(=O)[O-])C2	REAL300012904204	0	48	0.0	-75.19	371.55	5.73	-69.46
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CN=CS1)C(=O)[O-])C2	REAL300012904204	1	48	0.0	-74.13	369.30	6.13	-68.00
CC(C)CCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904205	0	57	0.0	-70.01	407.41	8.50	-61.51
CC(C)CCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904205	1	57	0.0	-74.01	409.05	8.37	-65.64
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC3=CC=CC=C3O1)C(=O)[O-])C2	REAL300012904206	0	55	0.0	-74.23	415.47	8.99	-65.24
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC3=CC=CC=C3O1)C(=O)[O-])C2	REAL300012904206	1	55	0.0	-65.78	413.13	9.09	-56.69
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCCO1)C(=O)[O-])C2	REAL300012904207	0	53	0.0	-79.52	383.63	5.91	-73.61
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCCO1)C(=O)[O-])C2	REAL300012904207	1	53	0.0	-77.06	381.06	6.43	-70.63
CSCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904208	0	46	0.0	-67.56	348.97	6.09	-61.47
CSCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904208	1	46	0.0	-72.62	351.29	5.94	-66.68
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C2	REAL300012904209	0	52	0.0	-74.49	392.26	8.61	-65.88
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C2	REAL300012904209	1	52	0.0	-65.36	389.35	8.74	-56.62
CCC(C)CC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904210	0	54	0.0	-71.01	383.11	7.59	-63.42
CCC(C)CC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904210	1	54	0.0	-75.12	384.75	7.48	-67.64
C=CCCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904211	0	52	0.0	-69.62	381.15	7.78	-61.84
C=CCCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904211	1	52	0.0	-73.64	382.80	7.64	-66.00
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C2	REAL300012904212	0	52	0.0	-76.02	391.42	8.62	-67.40
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C2	REAL300012904212	1	52	0.0	-63.46	388.98	8.71	-54.75
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC3=CC=CC=C31)C2	REAL300012904213	0	55	0.0	-82.41	404.44	9.76	-72.65
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=CC3=CC=CC=C31)C2	REAL300012904213	1	55	0.0	-81.50	403.58	9.77	-71.73
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCSCC1C(=O)[O-])C2	REAL300012904214	0	47	0.0	-75.01	335.99	8.62	-66.39
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCSCC1C(=O)[O-])C2	REAL300012904214	1	47	0.0	-78.90	334.08	8.71	-70.19
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C2	REAL300012904215	0	52	0.0	-70.52	370.05	8.48	-62.04
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C2	REAL300012904215	1	52	0.0	-79.39	371.78	8.36	-71.03
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])C2	REAL300012904216	0	50	0.0	-90.13	347.80	8.96	-81.17
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])C2	REAL300012904216	1	50	0.0	-90.13	348.16	8.94	-81.19
CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)(C)C(=O)[O-]	REAL300012904217	0	51	0.0	-71.28	350.89	8.37	-62.91
CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)C(=O)[O-]	REAL300012904217	1	51	0.0	-80.83	352.49	8.24	-72.59
CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C(=O)[O-]	REAL300012904218	0	51	0.0	-51.80	357.72	9.07	-42.73
CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C(=O)[O-]	REAL300012904218	1	51	0.0	-59.80	345.21	9.04	-50.76
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C2	REAL300012904219	0	45	0.0	-65.47	338.72	7.93	-57.54
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C2	REAL300012904219	1	45	0.0	-61.29	337.66	7.92	-53.37
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C2	REAL300012904220	0	45	0.0	-65.47	338.72	7.93	-57.54
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C2	REAL300012904220	1	45	0.0	-61.29	337.66	7.92	-53.37
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CCN1CCOCC1)CC(=O)[O-])C2	REAL300012904221	0	58	0.0	-64.28	413.68	5.81	-58.47
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CCN1CCOCC1)CC(=O)[O-])C2	REAL300012904221	1	58	0.0	-65.08	407.96	6.12	-58.96
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C2	REAL300012904222	0	47	0.0	-77.94	337.05	3.86	-74.08
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C2	REAL300012904222	1	47	0.0	-84.02	339.68	3.62	-80.40
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1	REAL300012904223	1	62	0.0	-64.10	438.87	5.68	-58.42
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1	REAL300012904223	1	62	0.0	-65.01	433.15	5.99	-59.02
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904224	0	53	0.0	-55.96	379.52	10.51	-45.45
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904224	1	53	0.0	-59.36	370.68	10.54	-48.82
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C(=O)[O-]	REAL300012904225	0	56	0.0	-65.86	390.39	10.57	-55.29
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1C(=O)[O-]	REAL300012904225	1	56	0.0	-67.39	389.84	10.58	-56.81
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCOC3=CC=CC=C3C1C(=O)[O-])C2	REAL300012904226	0	54	0.0	-70.51	381.86	8.86	-61.65
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCOC3=CC=CC=C3C1C(=O)[O-])C2	REAL300012904226	1	54	0.0	-71.81	383.10	8.74	-63.07
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C2	REAL300012904227	0	49	0.0	-71.51	362.12	7.78	-63.73
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C2	REAL300012904227	1	49	0.0	-75.90	363.64	7.65	-68.25
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C2	REAL300012904228	0	52	0.0	-71.87	402.35	8.60	-63.27
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C2	REAL300012904228	1	52	0.0	-63.61	399.70	8.76	-54.85
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C2	REAL300012904229	0	54	0.0	-72.33	402.39	7.64	-64.69
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C2	REAL300012904229	1	54	0.0	-76.63	404.11	7.55	-69.08
C=CCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904230	0	49	0.0	-69.67	359.66	6.99	-62.68
C=CCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904230	1	49	0.0	-73.80	361.30	6.86	-66.94
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=NC=CS1)C(=O)[O-])C2	REAL300012904231	0	48	0.0	-74.78	371.79	5.53	-69.25
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=NC=CS1)C(=O)[O-])C2	REAL300012904231	1	48	0.0	-62.66	369.44	5.64	-57.02
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C2	REAL300012904232	0	49	0.0	-72.86	391.12	7.35	-65.51
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C2	REAL300012904232	1	49	0.0	-61.14	388.38	7.43	-53.71
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C2	REAL300012904233	0	49	0.0	-92.67	356.37	4.98	-87.69
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C2	REAL300012904233	1	49	0.0	-87.50	353.68	5.25	-82.25
CN1CC(C(=O)[O-])N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1=O	REAL300012904234	0	50	0.0	-68.36	352.14	6.56	-61.80
CN1CC(C(=O)[O-])N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1=O	REAL300012904234	1	50	0.0	-78.04	354.21	6.66	-71.38
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@]1(C)C(=O)[O-])C2	REAL300012904235	0	49	0.0	-80.72	343.32	7.97	-72.75
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@]1(C)C(=O)[O-])C2	REAL300012904235	1	49	0.0	-80.49	343.55	7.97	-72.52
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C2	REAL300012904236	0	49	0.0	-78.28	363.36	7.68	-70.60
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C2	REAL300012904236	1	49	0.0	-66.47	360.88	7.66	-58.81
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C2	REAL300012904237	0	52	0.0	-78.18	372.94	6.94	-71.24
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C2	REAL300012904237	1	52	0.0	-68.20	370.59	7.01	-61.19
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C2	REAL300012904238	0	52	0.0	-57.52	355.66	8.68	-48.84
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])C1CCCC1)C2	REAL300012904238	1	52	0.0	-56.93	353.25	8.77	-48.16
CC[C@H](C)[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904239	0	51	0.0	-78.43	358.72	6.48	-71.95
CC[C@H](C)[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904239	1	51	0.0	-65.86	356.28	6.56	-59.30
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC(CO)C1)C2	REAL300012904240	0	50	0.0	-73.14	359.50	3.61	-69.53
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC(CO)C1)C2	REAL300012904240	1	50	0.0	-84.70	359.08	3.39	-81.31
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904241	0	58	0.0	-80.04	411.48	6.79	-73.25
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904241	1	58	0.0	-67.45	409.04	6.87	-60.58
CC1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)(C(=O)[O-])C1	REAL300012904242	0	52	0.0	-78.62	362.57	7.25	-71.37
CC1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)(C(=O)[O-])C1	REAL300012904242	1	52	0.0	-76.46	360.85	7.55	-68.91
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCC1(C)C)C2	REAL300012904243	0	55	0.0	-78.79	373.00	7.98	-70.81
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCC1(C)C)C2	REAL300012904243	1	55	0.0	-78.41	369.87	8.40	-70.01
COCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904244	0	49	0.0	-70.90	359.85	4.70	-66.20
COCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904244	1	49	0.0	-74.26	360.66	4.59	-69.67
CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012904245	0	55	0.0	-74.40	396.47	10.50	-63.90
CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012904245	1	55	0.0	-74.11	389.19	10.87	-63.24
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C2	REAL300012904246	0	52	0.0	-74.22	363.77	8.04	-66.18
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C2	REAL300012904246	1	52	0.0	-68.08	362.52	8.01	-60.07
CC1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)(C(=O)[O-])C2=CC=CC=C21	REAL300012904247	0	59	0.0	-82.91	412.22	9.90	-73.01
CC1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)(C(=O)[O-])C2=CC=CC=C21	REAL300012904247	1	59	0.0	-82.87	412.48	9.89	-72.98
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1(C)CC1)C2	REAL300012904248	0	49	0.0	-72.31	348.50	6.83	-65.48
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1(C)CC1)C2	REAL300012904248	1	49	0.0	-76.87	350.74	6.86	-70.01
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904249	0	58	0.0	-76.33	408.66	7.21	-69.12
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904249	1	58	0.0	-76.82	411.73	6.71	-70.11
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C2	REAL300012904250	0	47	0.0	-87.31	336.91	3.92	-83.39
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C2	REAL300012904250	1	47	0.0	-77.37	334.33	4.01	-73.36
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3(CC3)C3=CC=CC=C3C1C(=O)[O-])C2	REAL300012904251	0	57	0.0	-66.60	404.14	11.23	-55.37
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3(CC3)C3=CC=CC=C3C1C(=O)[O-])C2	REAL300012904251	1	57	0.0	-65.23	405.59	11.12	-54.11
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCOC1)C2	REAL300012904252	0	50	0.0	-77.63	354.33	4.50	-73.13
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCOC1)C2	REAL300012904252	1	50	0.0	-68.21	351.44	4.62	-63.59
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])C2	REAL300012904253	0	50	0.0	-77.99	346.92	8.65	-69.34
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC[C@@H]3CC[C@@]31C(=O)[O-])C2	REAL300012904253	1	50	0.0	-88.14	348.41	8.52	-79.62
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CNC3=CC=CC=C13)C2	REAL300012904254	0	53	0.0	-83.32	395.26	7.74	-75.58
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CNC3=CC=CC=C13)C2	REAL300012904254	1	53	0.0	-72.38	393.09	7.80	-64.58
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3CC1(C(=O)[O-])CO3)C2	REAL300012904255	0	48	0.0	-75.49	339.70	6.32	-69.17
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3CC1(C(=O)[O-])CO3)C2	REAL300012904255	1	48	0.0	-70.94	338.30	6.33	-64.61
CC1CCC(C(=O)[O-])N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1	REAL300012904256	0	52	0.0	-77.02	357.14	9.41	-67.61
CC1CCC(C(=O)[O-])N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1	REAL300012904256	1	52	0.0	-85.94	353.21	9.25	-76.69
CC(C1=CC=CC=C1)C(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904257	0	55	0.0	-70.23	398.52	8.96	-61.27
CC(C1=CC=CC=C1)C(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904257	1	55	0.0	-75.78	402.72	8.93	-66.85
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CC=CCC1)C(=O)[O-])C2	REAL300012904258	0	56	0.0	-77.49	395.52	9.34	-68.15
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CC=CCC1)C(=O)[O-])C2	REAL300012904258	1	56	0.0	-75.48	392.41	9.77	-65.71
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCC1)C2	REAL300012904259	0	49	0.0	-75.71	347.54	6.41	-69.30
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCC1)C2	REAL300012904259	1	49	0.0	-67.01	344.71	6.55	-60.46
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C2	REAL300012904260	0	62	0.0	-80.99	419.55	8.23	-72.76
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C2	REAL300012904260	1	62	0.0	-81.31	418.15	8.21	-73.10
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCCCC1)C2	REAL300012904261	0	55	0.0	-76.95	381.15	7.73	-69.22
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCCCC1)C2	REAL300012904261	1	55	0.0	-66.32	383.70	8.06	-58.26
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCC1)C2	REAL300012904262	0	49	0.0	-75.71	347.54	6.41	-69.30
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCC1)C2	REAL300012904262	1	49	0.0	-67.01	344.71	6.55	-60.46
CC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1C(=O)[O-]	REAL300012904263	0	49	0.0	-77.79	342.73	7.60	-70.19
CC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1C(=O)[O-]	REAL300012904263	1	49	0.0	-80.13	344.13	8.29	-71.84
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCCCO1)C(=O)[O-])C2	REAL300012904264	0	56	0.0	-74.54	399.64	7.25	-67.29
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCCCO1)C(=O)[O-])C2	REAL300012904264	1	56	0.0	-74.42	399.90	7.25	-67.17
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]31)C2	REAL300012904265	0	56	0.0	-60.35	371.09	9.63	-50.72
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]31)C2	REAL300012904265	1	56	0.0	-51.92	371.24	9.33	-42.59
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C2	REAL300012904266	0	56	0.0	-72.10	376.14	6.62	-65.48
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C2	REAL300012904266	1	56	0.0	-69.20	375.06	6.62	-62.58
CC1=CC=CC2=C1CCN(C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2C(=O)[O-]	REAL300012904267	0	56	0.0	-63.10	394.55	10.57	-52.53
CC1=CC=CC2=C1CCN(C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2C(=O)[O-]	REAL300012904267	1	56	0.0	-65.17	395.80	10.44	-54.73
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])C2	REAL300012904268	0	50	0.0	-60.94	347.70	8.57	-52.37
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])C2	REAL300012904268	1	50	0.0	-57.27	347.49	8.52	-48.75
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CC=CCC1)C(=O)[O-])C2	REAL300012904269	0	56	0.0	-77.49	395.52	9.34	-68.15
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CC=CCC1)C(=O)[O-])C2	REAL300012904269	1	56	0.0	-75.48	392.41	9.77	-65.71
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C2	REAL300012904270	0	52	0.0	-75.15	392.23	8.61	-66.54
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C2	REAL300012904270	1	52	0.0	-73.64	389.11	9.03	-64.61
COC1CC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)(C(=O)[O-])C1	REAL300012904271	0	50	0.0	-84.86	361.77	5.18	-79.68
COC1CC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)(C(=O)[O-])C1	REAL300012904271	1	50	0.0	-82.06	362.00	5.17	-76.89
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C2	REAL300012904272	0	46	0.0	-70.99	335.91	6.36	-64.63
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C2	REAL300012904272	1	46	0.0	-77.51	337.37	6.23	-71.28
CO[C@H]1C[C@](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)(C(=O)[O-])C1	REAL300012904273	0	50	0.0	-78.39	360.20	5.09	-73.30
CO[C@H]1C[C@](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)(C(=O)[O-])C1	REAL300012904273	1	50	0.0	-66.37	357.87	5.55	-60.82
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C2	REAL300012904274	0	49	0.0	-70.92	367.60	7.28	-63.64
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C2	REAL300012904274	1	49	0.0	-73.86	368.01	7.34	-66.52
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904275	0	52	0.0	-81.19	359.29	9.03	-72.16
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904275	1	52	0.0	-80.90	357.42	8.87	-72.03
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C2	REAL300012904276	0	45	0.0	-64.44	342.11	6.34	-58.10
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C2	REAL300012904276	1	45	0.0	-71.53	343.75	6.21	-65.32
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C2	REAL300012904277	0	53	0.0	-76.62	381.45	5.59	-71.03
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C2	REAL300012904277	1	53	0.0	-64.12	379.11	5.70	-58.42
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=CS1)C(=O)[O-])C2	REAL300012904278	0	49	0.0	-73.66	377.83	7.60	-66.06
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=CS1)C(=O)[O-])C2	REAL300012904278	1	49	0.0	-76.91	374.63	8.02	-68.89
COCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012904279	0	56	0.0	-70.06	403.24	7.69	-62.37
COCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012904279	1	56	0.0	-78.51	404.96	7.57	-70.94
CC(C)C(C)(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904280	0	51	0.0	-69.99	345.19	6.62	-63.37
CC(C)C(C)(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904280	1	51	0.0	-75.49	348.69	6.58	-68.91
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])C2	REAL300012904281	0	47	0.0	-86.91	333.81	8.58	-78.33
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])C2	REAL300012904281	1	47	0.0	-81.42	329.27	8.81	-72.61
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])C2	REAL300012904282	0	50	0.0	-77.72	348.47	8.12	-69.60
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@@H]3CC[C@@H]3[C@@H]1C(=O)[O-])C2	REAL300012904282	1	50	0.0	-83.13	349.81	8.18	-74.95
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904283	0	55	0.0	-53.76	395.14	11.21	-42.55
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904283	1	55	0.0	-54.95	392.86	11.46	-43.49
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCCCC1)C(=O)[O-])C2	REAL300012904284	0	58	0.0	-69.85	406.32	8.92	-60.93
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCCCC1)C(=O)[O-])C2	REAL300012904284	1	58	0.0	-77.90	407.70	8.79	-69.11
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C2	REAL300012904285	0	55	0.0	-78.35	408.88	9.31	-69.04
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C2	REAL300012904285	1	55	0.0	-74.98	408.26	9.31	-65.67
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C2	REAL300012904286	0	55	0.0	-75.34	408.65	9.37	-65.97
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C2	REAL300012904286	1	55	0.0	-67.51	405.91	9.44	-58.07
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CC3CCC1C3)C2	REAL300012904287	0	56	0.0	-78.81	387.93	8.19	-70.62
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CC3CCC1C3)C2	REAL300012904287	1	56	0.0	-77.21	389.97	8.15	-69.06
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C2	REAL300012904288	0	58	0.0	-71.10	406.51	8.84	-62.26
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C2	REAL300012904288	1	58	0.0	-74.84	407.79	8.77	-66.07
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C2	REAL300012904289	0	58	0.0	-77.92	407.54	8.79	-69.13
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C2	REAL300012904289	1	58	0.0	-65.60	405.08	8.79	-56.81
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3(CCCC3)CC1C(=O)[O-])C2	REAL300012904290	0	56	0.0	-60.45	387.72	9.47	-50.98
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3(CCCC3)CC1C(=O)[O-])C2	REAL300012904290	1	56	0.0	-54.84	388.82	9.35	-45.49
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@H]3CCCC[C@H]3[C@@H]1C(=O)[O-])C2	REAL300012904291	0	56	0.0	-77.64	382.55	9.33	-68.31
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@H]3CCCC[C@H]3[C@@H]1C(=O)[O-])C2	REAL300012904291	1	56	0.0	-83.36	386.15	9.33	-74.03
COC1=CC=C(CC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])C=C1	REAL300012904292	0	56	0.0	-71.26	413.79	8.00	-63.26
COC1=CC=C(CC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])C=C1	REAL300012904292	1	56	0.0	-66.56	412.66	7.98	-58.58
C=CCSCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904293	0	50	0.0	-68.25	383.92	7.50	-60.75
C=CCSCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904293	1	50	0.0	-71.86	384.89	7.42	-64.44
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C2	REAL300012904294	0	53	0.0	-69.70	405.35	9.03	-60.67
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C2	REAL300012904294	1	53	0.0	-77.66	407.09	8.92	-68.74
CCC(C(=O)[O-])N(CC)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904295	0	51	0.0	-71.42	352.16	8.33	-63.09
CCC(C(=O)[O-])N(CC)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904295	1	51	0.0	-72.53	346.40	8.64	-63.89
COC1(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])CCC1	REAL300012904296	0	53	0.0	-74.46	375.08	5.18	-69.28
COC1(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])CCC1	REAL300012904296	1	53	0.0	-72.00	374.63	5.15	-66.85
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C2	REAL300012904297	0	55	0.0	-64.49	381.97	7.95	-56.54
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C2	REAL300012904297	1	55	0.0	-73.00	382.84	7.84	-65.16
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCC3=CC=CC=C3C1)C2	REAL300012904298	0	56	0.0	-79.16	394.89	9.65	-69.51
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCC3=CC=CC=C3C1)C2	REAL300012904298	1	56	0.0	-68.82	392.13	9.72	-59.10
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C2	REAL300012904299	0	49	0.0	-68.45	361.23	7.23	-61.22
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C2	REAL300012904299	1	49	0.0	-85.49	360.41	7.04	-78.45
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C2	REAL300012904301	0	61	0.0	-77.82	439.15	9.96	-67.86
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C2	REAL300012904301	1	61	0.0	-66.06	437.41	10.01	-56.05
CC(C)C1=CC=C(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(=O)[O-])C=C1	REAL300012904302	0	58	0.0	-77.89	423.59	9.61	-68.28
CC(C)C1=CC=C(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])C=C1	REAL300012904302	1	58	0.0	-66.04	421.42	9.60	-56.44
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C2	REAL300012904303	0	46	0.0	-79.12	329.60	7.42	-71.70
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C2	REAL300012904303	1	46	0.0	-82.28	333.82	7.10	-75.18
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C3C=CC(C3)C1C(=O)[O-])C2	REAL300012904304	0	48	0.0	-60.11	340.32	8.43	-51.68
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C3C=CC(C3)C1C(=O)[O-])C2	REAL300012904304	1	48	0.0	-54.68	341.00	8.28	-46.40
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC(C)(C)C1C(=O)[O-])C2	REAL300012904305	0	52	0.0	-78.55	362.36	8.07	-70.48
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC(C)(C)C1C(=O)[O-])C2	REAL300012904305	1	52	0.0	-85.17	361.38	8.32	-76.85
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CCOC1=CC=C(C(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(=O)[O-])C=C1	REAL300012904306	1	56	0.0	-65.46	411.95	7.94	-57.52
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3(CCC3)CCC1C(=O)[O-])C2	REAL300012904307	0	56	0.0	-76.27	381.39	10.20	-66.07
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3(CCC3)CCC1C(=O)[O-])C2	REAL300012904307	1	56	0.0	-84.81	382.57	10.08	-74.73
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCC3=CC=CC=C31)C2	REAL300012904308	0	56	0.0	-75.24	401.45	9.89	-65.35
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCC3=CC=CC=C31)C2	REAL300012904308	1	56	0.0	-78.14	401.66	9.86	-68.28
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C2	REAL300012904309	0	56	0.0	-75.46	404.72	8.74	-66.72
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C2	REAL300012904309	1	56	0.0	-80.90	406.41	8.62	-72.28
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C2	REAL300012904310	0	52	0.0	-80.90	399.03	8.54	-72.36
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C2	REAL300012904310	1	52	0.0	-67.56	396.59	8.64	-58.92
CC(C)CCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904311	0	54	0.0	-70.20	385.91	7.72	-62.48
CC(C)CCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904311	1	54	0.0	-75.01	388.38	7.59	-67.42
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3(CCC3)CC1C(=O)[O-])C2	REAL300012904312	0	53	0.0	-61.02	373.00	8.96	-52.06
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3(CCC3)CC1C(=O)[O-])C2	REAL300012904312	1	53	0.0	-60.78	375.69	8.86	-51.92
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C2	REAL300012904313	0	53	0.0	-76.62	381.45	5.59	-71.03
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1CCOC1)C(=O)[O-])C2	REAL300012904313	1	53	0.0	-64.12	379.11	5.70	-58.42
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1	REAL300012904314	0	50	0.0	-82.11	370.56	8.42	-73.69
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1	REAL300012904314	1	50	0.0	-67.50	367.15	8.70	-58.80
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCC3CC31)C2	REAL300012904315	0	53	0.0	-77.83	365.30	8.10	-69.73
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCCC3CC31)C2	REAL300012904315	1	53	0.0	-68.57	362.89	8.18	-60.39
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCC3CC31)C2	REAL300012904316	0	50	0.0	-78.29	351.01	7.21	-71.08
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CCC3CC31)C2	REAL300012904316	1	50	0.0	-69.14	348.98	7.32	-61.82
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300012904317	0	53	0.0	-72.63	369.55	7.98	-64.65
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300012904317	1	53	0.0	-78.51	371.44	7.82	-70.69
CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012904318	0	55	0.0	-74.39	396.42	10.50	-63.89
CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012904318	1	55	0.0	-67.10	394.03	10.68	-56.42
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3(CC1C(=O)[O-])CCCCC3)C2	REAL300012904319	0	59	0.0	-60.14	401.09	10.00	-50.14
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3(CC1C(=O)[O-])CCCCC3)C2	REAL300012904319	1	59	0.0	-60.29	403.24	9.84	-50.45
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCCC1)C2	REAL300012904320	0	52	0.0	-77.53	366.72	7.17	-70.36
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCCC1)C2	REAL300012904320	1	52	0.0	-76.88	365.73	7.62	-69.26
CO[C@H](C)[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904321	0	49	0.0	-76.12	354.39	5.18	-70.94
CO[C@H](C)[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904321	1	49	0.0	-78.33	357.21	4.75	-73.58
CC1[C@@H](C)[C@@]1(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904322	0	49	0.0	-83.01	346.57	7.06	-75.95
CC1[C@@H](C)[C@@]1(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904322	1	49	0.0	-67.76	344.19	7.14	-60.62
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C2	REAL300012904323	0	52	0.0	-61.98	383.11	10.45	-51.53
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C2	REAL300012904323	1	52	0.0	-59.39	384.74	10.33	-49.06
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC(C)(C)CC1C(=O)[O-])C2	REAL300012904324	0	52	0.0	-61.08	365.74	8.29	-52.79
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC(C)(C)CC1C(=O)[O-])C2	REAL300012904324	1	52	0.0	-54.71	365.91	8.23	-46.48
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC3=C(C=CC(F)=C3F)C1C(=O)[O-])C2	REAL300012904325	0	53	0.0	-57.68	389.23	10.14	-47.54
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC3=C(C=CC(F)=C3F)C1C(=O)[O-])C2	REAL300012904325	1	53	0.0	-60.83	390.51	10.00	-50.83
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC(F)(F)CC1C(=O)[O-])C2	REAL300012904326	0	49	0.0	-75.09	347.81	8.88	-66.21
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC(F)(F)CC1C(=O)[O-])C2	REAL300012904326	1	49	0.0	-79.70	345.99	9.07	-70.63
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC(F)(F)C1C(=O)[O-])C2	REAL300012904327	0	46	0.0	-75.67	338.67	7.24	-68.43
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC(F)(F)C1C(=O)[O-])C2	REAL300012904327	1	46	0.0	-82.86	340.13	7.12	-75.74
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C2	REAL300012904328	0	52	0.0	-75.15	392.23	8.61	-66.54
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C2	REAL300012904328	1	52	0.0	-73.64	389.11	9.03	-64.61
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CSC=C1)C(=O)[O-])C2	REAL300012904329	0	49	0.0	-74.97	376.50	7.50	-67.47
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CSC=C1)C(=O)[O-])C2	REAL300012904329	1	49	0.0	-75.21	373.42	7.93	-67.28
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C2	REAL300012904330	0	49	0.0	-78.64	355.83	8.21	-70.43
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C2	REAL300012904330	1	49	0.0	-69.98	353.01	8.25	-61.73
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC3(CC(F)(F)C3)C1)C2	REAL300012904331	0	53	0.0	-81.92	390.74	8.25	-73.67
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC3(CC(F)(F)C3)C1)C2	REAL300012904331	1	53	0.0	-67.32	388.23	8.34	-58.98
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@@H](OC3=CC=CC=C3)C[C@H]1C(=O)[O-])C2	REAL300012904332	0	57	0.0	-83.25	413.39	9.84	-73.41
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@@H](OC3=CC=CC=C3)C[C@H]1C(=O)[O-])C2	REAL300012904332	1	57	0.0	-68.63	410.72	9.91	-58.72
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CSC=C1)C(=O)[O-])C2	REAL300012904333	0	49	0.0	-74.97	376.50	7.50	-67.47
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CSC=C1)C(=O)[O-])C2	REAL300012904333	1	49	0.0	-75.21	373.42	7.93	-67.28
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])C2	REAL300012904334	0	53	0.0	-77.79	364.03	8.90	-68.89
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])C2	REAL300012904334	1	53	0.0	-83.84	364.17	8.52	-75.32
COCCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904335	0	52	0.0	-70.12	381.35	5.47	-64.65
COCCCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904335	1	52	0.0	-73.64	382.16	5.37	-68.27
CCCC(C(=O)[O-])N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	REAL300012904336	0	51	0.0	-71.03	360.42	8.44	-62.59
CCCC(C(=O)[O-])N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	REAL300012904336	1	51	0.0	-71.75	354.66	8.74	-63.01
CCOCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300012904337	0	49	0.0	-72.81	359.89	4.85	-67.96
CCOCC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300012904337	1	49	0.0	-76.01	361.05	4.72	-71.29
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C2	REAL300012904338	0	54	0.0	-70.03	377.00	8.04	-61.99
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C2	REAL300012904338	1	54	0.0	-78.20	378.66	7.92	-70.28
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCCCO1)C2	REAL300012904339	0	53	0.0	-77.35	379.26	6.06	-71.29
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C1CCCCO1)C2	REAL300012904339	1	53	0.0	-80.24	379.50	6.03	-74.21
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)C2	REAL300012904340	0	53	0.0	-73.08	381.87	8.95	-64.13
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1(C(=O)[O-])CC3=CC=CC=C3C1)C2	REAL300012904340	1	53	0.0	-78.47	383.29	8.81	-69.66
C[C@H]1OCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1C(=O)[O-]	REAL300012904341	0	50	0.0	-85.11	348.58	7.00	-78.11
C[C@H]1OCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1C(=O)[O-]	REAL300012904341	1	50	0.0	-73.64	346.11	7.07	-66.57
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C2	REAL300012904342	0	52	0.0	-70.39	367.65	8.56	-61.83
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C2	REAL300012904342	1	52	0.0	-65.08	366.29	8.52	-56.56
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CCC#N)C(=O)[O-])C2	REAL300012904343	0	46	0.0	-71.29	346.20	6.16	-65.13
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CCC#N)C(=O)[O-])C2	REAL300012904343	1	46	0.0	-75.35	348.67	6.03	-69.32
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C13CC4CC(CC(C4)C1)C3)C2	REAL300012904344	0	63	0.0	-74.07	418.81	9.73	-64.34
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(C(=O)[O-])C13CC4CC(CC(C4)C1)C3)C2	REAL300012904344	1	63	0.0	-69.38	417.46	9.70	-59.68
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=COC3=CC=CC=C13)C(=O)[O-])C2	REAL300012904345	0	55	0.0	-80.37	411.21	8.90	-71.47
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=COC3=CC=CC=C13)C(=O)[O-])C2	REAL300012904345	1	55	0.0	-66.52	407.99	8.99	-57.53
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])CC1=CC=CO1)C2	REAL300012904346	0	49	0.0	-64.50	366.00	8.48	-56.02
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N(CC(=O)[O-])CC1=CC=CO1)C2	REAL300012904346	1	49	0.0	-65.57	360.28	8.79	-56.78
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3(CCOCC3)CCC1C(=O)[O-])C2	REAL300012904347	0	60	0.0	-74.68	397.37	9.18	-65.50
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC3(CCOCC3)CCC1C(=O)[O-])C2	REAL300012904347	1	60	0.0	-84.44	399.66	8.95	-75.49
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C2	REAL300012904348	0	51	0.0	-71.83	397.64	7.15	-64.68
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C2	REAL300012904348	1	51	0.0	-71.27	394.31	7.65	-63.62
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1	REAL300012904349	0	53	0.0	-78.33	380.51	7.45	-70.88
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1	REAL300012904349	1	53	0.0	-66.63	378.19	7.54	-59.09
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CC(C2)CCO3)CC1	REAL300012904460	0	55	0.0	-65.69	409.36	5.62	-60.07
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC(C(C)(F)F)=C2)CC1	REAL300012904744	0	56	0.0	-66.57	444.39	8.94	-57.63
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCN2N=CC=CC2=O)CC1	REAL300012904999	0	52	0.0	-75.42	411.62	4.81	-70.61
CC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1C	REAL300012905242	0	56	0.0	-63.35	429.60	8.62	-54.73
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CC(C2)C(C)(C)O3)CC1	REAL300012905489	0	58	0.0	-60.04	427.81	6.07	-53.97
COC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1Cl	REAL300012906682	0	54	0.0	-63.30	436.72	7.27	-56.03
CCC[C@@H]1C[C@H]1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012907098	0	56	0.0	-58.90	420.72	7.78	-51.12
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC[C@H]2C[C@H](F)C2)CC1	REAL300012907284	0	53	0.0	-59.46	402.33	7.11	-52.35
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@]23CCC[C@H]2CCO3)CC1	REAL300012907504	0	58	0.0	-64.40	428.76	6.67	-57.73
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NSC=C2)CC1	REAL300012908300	0	46	0.0	-67.48	375.76	4.96	-62.52
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)CC2CC2)CC1	REAL300012908674	0	59	0.0	-61.68	435.87	8.70	-52.98
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2C3CCCCC23)CC1	REAL300012909176	0	57	0.0	-62.10	423.24	8.40	-53.70
CC1=CC=NC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012909402	0	54	0.0	-64.05	419.12	5.75	-58.30
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CN(C3COC3)N=N2)CC1	REAL300012909975	0	54	0.0	-64.83	423.99	3.01	-61.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3(CCC3)CC2)CC1	REAL300012911342	0	60	0.0	-62.64	437.45	8.77	-53.87
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CCCOC2)CC1	REAL300012912320	0	57	0.0	-63.17	417.11	6.08	-57.09
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOCC(F)F)CC1	REAL300012912855	0	53	0.0	-63.65	416.10	5.28	-58.37
CC(C)C[C@H](NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913620	0	51	0.0	-105.62	400.61	5.30	-100.32
CC(C)C[C@H](NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913620	1	51	0.0	-105.49	400.58	5.35	-100.14
C=CCOCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913621	0	50	0.0	-106.80	408.04	3.78	-103.02
C=CCOCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913621	1	50	0.0	-106.87	408.41	3.84	-103.03
C=CC(C)C(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913622	0	49	0.0	-104.03	393.47	5.15	-98.88
C=CC(C)C(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913622	1	49	0.0	-103.35	391.93	5.16	-98.19
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCOCC3)C(=O)N2)C1	REAL300012913623	0	53	0.0	-105.24	409.98	4.07	-101.17
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCOCC3)C(=O)N2)C1	REAL300012913623	1	53	0.0	-98.76	405.85	3.86	-94.90
COC1CCN(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C(C(=O)[O-])C1	REAL300012913624	0	53	0.0	-115.52	404.46	6.22	-109.30
COC1CCN(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C(C(=O)[O-])C1	REAL300012913624	1	53	0.0	-109.38	404.06	5.92	-103.46
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCCOC3)C(=O)N2)C1	REAL300012913625	0	53	0.0	-94.67	409.90	4.10	-90.57
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCCOC3)C(=O)N2)C1	REAL300012913625	1	53	0.0	-95.74	411.85	4.10	-91.64
CC1CCN(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C(C(=O)[O-])C1	REAL300012913626	0	52	0.0	-114.59	392.93	7.82	-106.77
CC1CCN(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C(C(=O)[O-])C1	REAL300012913626	1	52	0.0	-110.12	392.54	7.55	-102.57
CC1=CC(C(NC(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C(=O)[O-])=CC(C)=C1	REAL300012913627	0	55	0.0	-107.52	440.86	7.40	-100.12
CC1=CC(C(NC(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C(=O)[O-])=CC(C)=C1	REAL300012913627	1	55	0.0	-100.40	440.92	7.39	-93.01
CC1=CC=C(C(NC(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C(=O)[O-])C=C1C	REAL300012913628	0	55	0.0	-100.43	436.48	7.27	-93.16
CC1=CC=C(C(NC(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C(=O)[O-])C=C1C	REAL300012913628	1	55	0.0	-100.07	436.26	7.36	-92.71
CC1=CC=CC(C(NC(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C(=O)[O-])=C1C	REAL300012913629	0	55	0.0	-92.47	431.94	7.44	-85.03
CC1=CC=CC(C(NC(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C(=O)[O-])=C1C	REAL300012913629	1	55	0.0	-106.56	427.80	7.11	-99.45
CCCN(CC(=O)[O-])C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913630	0	48	0.0	-80.15	376.14	6.36	-73.79
CCCN(CC(=O)[O-])C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913630	1	48	0.0	-95.47	381.34	6.58	-88.89
CC(C(=O)[O-])N(C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C1CCC1	REAL300012913631	0	52	0.0	-80.75	394.87	7.06	-73.69
CC(C(=O)[O-])N(C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C1CCC1	REAL300012913631	1	52	0.0	-82.84	394.80	7.05	-75.79
CCCN(C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(COC)C(=O)[O-]	REAL300012913632	0	55	0.0	-102.84	424.21	7.50	-95.34
CCCN(C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(COC)C(=O)[O-]	REAL300012913632	1	55	0.0	-110.28	424.13	7.47	-102.81
CCCN(C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(CC)C(=O)[O-]	REAL300012913633	0	54	0.0	-95.67	407.61	7.54	-88.13
CCCN(C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(CC)C(=O)[O-]	REAL300012913633	1	54	0.0	-102.36	406.73	7.42	-94.94
CC(C)C(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913634	0	48	0.0	-96.78	374.03	4.33	-92.45
CC(C)C(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913634	1	48	0.0	-105.39	374.61	4.32	-101.07
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCCCC3C(=O)[O-])C(=O)N2)C1	REAL300012913635	0	49	0.0	-112.98	371.65	6.95	-106.03
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCCCC3C(=O)[O-])C(=O)N2)C1	REAL300012913635	1	49	0.0	-111.78	371.54	6.94	-104.84
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCSCC3C(=O)[O-])C(=O)N2)C1	REAL300012913636	0	47	0.0	-108.54	372.17	7.13	-101.41
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCSCC3C(=O)[O-])C(=O)N2)C1	REAL300012913636	1	47	0.0	-109.06	372.17	7.13	-101.93
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C(=O)N2)C1	REAL300012913637	0	52	0.0	-100.85	391.43	6.21	-94.64
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCCCC3)C(=O)N2)C1	REAL300012913637	1	52	0.0	-100.99	391.44	6.22	-94.77
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCCC3C(=O)[O-])C(=O)N2)C1	REAL300012913638	0	46	0.0	-104.59	362.85	5.50	-99.09
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCCC3C(=O)[O-])C(=O)N2)C1	REAL300012913638	1	46	0.0	-104.69	362.85	5.50	-99.19
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C(=O)N2)C1	REAL300012913639	0	49	0.0	-101.12	376.92	5.11	-96.01
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCCC3)C(=O)N2)C1	REAL300012913639	1	49	0.0	-101.23	376.93	5.12	-96.11
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCCCCC3)C(=O)N2)C1	REAL300012913640	0	55	0.0	-101.20	397.09	6.88	-94.32
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCCCCC3)C(=O)N2)C1	REAL300012913640	1	55	0.0	-101.33	397.10	6.89	-94.44
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C=CCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913689	0	46	0.0	-104.31	374.40	4.46	-99.85
C=CCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913689	1	46	0.0	-104.53	375.00	4.51	-100.02
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C(=O)N2)C1	REAL300012913690	0	49	0.0	-102.89	377.77	6.46	-96.43
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCCC3(C)C(=O)[O-])C(=O)N2)C1	REAL300012913690	1	49	0.0	-113.39	377.77	6.46	-106.93
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCCCCC3C(=O)[O-])C(=O)N2)C1	REAL300012913691	0	52	0.0	-112.93	388.26	7.91	-105.02
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCCCCC3C(=O)[O-])C(=O)N2)C1	REAL300012913691	1	52	0.0	-107.09	386.56	7.79	-99.30
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CC3)C(=O)N2)C1	REAL300012913692	0	46	0.0	-104.76	368.83	4.47	-100.29
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CC3)C(=O)N2)C1	REAL300012913692	1	46	0.0	-105.71	371.64	4.54	-101.17
CC(C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913693	0	45	0.0	-91.48	352.45	4.97	-86.51
CC(C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913693	1	45	0.0	-91.85	351.88	4.92	-86.93
CCCCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913694	0	51	0.0	-104.78	404.68	5.61	-99.17
CCCCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913694	1	51	0.0	-104.49	404.08	5.56	-98.93
C[N@@H+]1CCC2=C(C=C(CNC(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])C(=O)N2)C1	REAL300012913695	0	55	0.0	-82.38	441.25	9.59	-72.79
C[N@H+]1CCC2=C(C=C(CNC(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])C(=O)N2)C1	REAL300012913695	1	55	0.0	-81.04	436.04	9.39	-71.65
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C(=O)N2)C1	REAL300012913696	0	49	0.0	-113.03	377.77	6.45	-106.58
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCC[C@@]3(C)C(=O)[O-])C(=O)N2)C1	REAL300012913696	1	49	0.0	-113.32	377.89	6.47	-106.85
C[N@@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C(=O)N2)C1	REAL300012913697	0	52	0.0	-95.25	396.20	7.39	-87.86
C[N@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C(=O)N2)C1	REAL300012913697	1	52	0.0	-79.89	397.22	7.48	-72.41
COCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913698	0	46	0.0	-106.79	373.65	2.29	-104.50
COCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913698	1	46	0.0	-106.67	373.29	2.23	-104.44
CCCCCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913699	0	54	0.0	-104.78	426.18	6.39	-98.39
CCCCCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913699	1	54	0.0	-104.75	426.41	6.33	-98.42
CCC1CCC(NC(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)(C(=O)[O-])CC1	REAL300012913700	0	58	0.0	-97.82	424.14	6.75	-91.07
CCC1CCC(NC(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)(C(=O)[O-])CC1	REAL300012913700	1	58	0.0	-97.72	424.15	6.74	-90.98
C[N@@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])C3CCOCC3)C(=O)N2)C1	REAL300012913701	0	53	0.0	-95.74	404.67	5.72	-90.02
C[N@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])C3CCOCC3)C(=O)N2)C1	REAL300012913701	1	53	0.0	-95.30	404.66	5.73	-89.57
CN(C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C1(C(=O)[O-])CCCC1	REAL300012913702	0	52	0.0	-114.34	387.53	6.86	-107.48
CN(C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C1(C(=O)[O-])CCCC1	REAL300012913702	1	52	0.0	-113.94	387.52	6.85	-107.09
CC(C(=O)[O-])N(C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C1CC1	REAL300012913703	0	49	0.0	-91.73	370.82	6.08	-85.65
CC(C(=O)[O-])N(C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C1CC1	REAL300012913703	1	49	0.0	-82.25	378.58	6.54	-75.71
CCC(C(=O)[O-])N(C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C1CC1	REAL300012913704	0	52	0.0	-81.37	398.86	7.60	-73.77
CCC(C(=O)[O-])N(C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C1CC1	REAL300012913704	1	52	0.0	-95.08	398.77	7.49	-87.59
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3F)C(=O)N2)C1	REAL300012913705	0	49	0.0	-111.66	402.25	6.23	-105.43
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3F)C(=O)N2)C1	REAL300012913705	1	49	0.0	-112.26	402.51	6.16	-106.10
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])C(=O)N2)C1	REAL300012913706	0	53	0.0	-96.40	413.57	8.39	-88.01
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])C(=O)N2)C1	REAL300012913706	1	53	0.0	-85.97	413.39	8.40	-77.57
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCCCC3)C(=O)[O-])C(=O)N2)C1	REAL300012913707	0	58	0.0	-105.89	441.41	7.21	-98.68
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCCCC3)C(=O)[O-])C(=O)N2)C1	REAL300012913707	1	58	0.0	-96.46	442.06	7.28	-89.18
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913708	0	55	0.0	-96.90	430.41	9.73	-87.17
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913708	1	55	0.0	-94.43	430.81	9.39	-85.04
CC1=CC=C(C(NC(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C(=O)[O-])C=C1	REAL300012913709	0	52	0.0	-106.60	419.48	6.75	-99.85
CC1=CC=C(C(NC(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C(=O)[O-])C=C1	REAL300012913709	1	52	0.0	-99.04	419.27	6.83	-92.21
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C(=O)N2)C1	REAL300012913710	0	45	0.0	-91.82	377.85	4.70	-87.12
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C(=O)N2)C1	REAL300012913710	1	45	0.0	-98.10	377.62	4.78	-93.32
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCSCC3)C(=O)N2)C1	REAL300012913711	0	50	0.0	-96.71	389.13	5.88	-90.83
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCSCC3)C(=O)N2)C1	REAL300012913711	1	50	0.0	-106.02	389.10	5.90	-100.12
COCC(C)(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913712	0	49	0.0	-101.44	384.31	3.66	-97.78
COCC(C)(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913712	1	49	0.0	-101.36	384.30	3.66	-97.70
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913713	0	52	0.0	-100.32	403.52	5.39	-94.93
CCOCC(C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913713	1	52	0.0	-93.20	404.30	5.32	-87.88
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913714	0	51	0.0	-94.54	395.77	6.88	-87.66
CC(C)CN(CC(=O)[O-])C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913714	1	51	0.0	-94.91	395.76	6.88	-88.03
C[N@@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])C3CC3)C(=O)N2)C1	REAL300012913715	0	46	0.0	-105.83	365.18	6.20	-99.63
C[N@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])C3CC3)C(=O)N2)C1	REAL300012913715	1	46	0.0	-96.52	364.78	6.21	-90.31
C[N@@H+]1CCC2=C(C=C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C(=O)N2)C1	REAL300012913716	0	48	0.0	-79.54	399.47	6.97	-72.57
C[N@H+]1CCC2=C(C=C(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C(=O)N2)C1	REAL300012913716	1	48	0.0	-94.27	399.49	6.96	-87.31
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C(=O)N2)C1	REAL300012913717	0	47	0.0	-97.91	367.51	2.54	-95.37
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCOC3)C(=O)N2)C1	REAL300012913717	1	47	0.0	-97.95	367.53	2.55	-95.40
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCCCC3)C(=O)N2)C1	REAL300012913718	0	55	0.0	-98.62	415.64	6.21	-92.41
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCCCC3)C(=O)N2)C1	REAL300012913718	1	55	0.0	-107.18	420.59	6.46	-100.72
CN(C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(COC1CCC1)C(=O)[O-]	REAL300012913719	0	56	0.0	-93.12	431.57	6.83	-86.29
CN(C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(COC1CCC1)C(=O)[O-]	REAL300012913719	1	56	0.0	-92.80	431.56	6.83	-85.97
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCOCC3)C(=O)N2)C1	REAL300012913720	0	50	0.0	-109.02	382.85	3.71	-105.31
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCOCC3)C(=O)N2)C1	REAL300012913720	1	50	0.0	-99.53	382.86	3.74	-95.79
C=CCCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913721	0	49	0.0	-103.97	395.39	5.34	-98.63
C=CCCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913721	1	49	0.0	-104.19	396.00	5.39	-98.80
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CF)C(=O)[O-])C(=O)N2)C1	REAL300012913722	0	42	0.0	-88.23	343.54	3.02	-85.21
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CF)C(=O)[O-])C(=O)N2)C1	REAL300012913722	1	42	0.0	-88.54	344.03	2.98	-85.56
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913723	0	55	0.0	-107.68	429.00	9.71	-97.97
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913723	1	55	0.0	-77.09	430.14	9.83	-67.26
CC(C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913724	0	45	0.0	-91.48	352.45	4.97	-86.51
CC(C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913724	1	45	0.0	-91.85	351.88	4.92	-86.93
CCC(CC)(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913725	0	51	0.0	-108.14	382.74	5.27	-102.87
CCC(CC)(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913725	1	51	0.0	-98.35	382.42	5.27	-93.08
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913726	0	51	0.0	-94.51	390.59	7.15	-87.36
CCC(C)N(CC(=O)[O-])C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913726	1	51	0.0	-94.87	390.57	7.15	-87.72
CCC(COC)(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913727	0	52	0.0	-112.29	400.99	4.57	-107.72
CCC(COC)(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913727	1	52	0.0	-102.40	400.74	4.57	-97.83
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913728	0	55	0.0	-101.12	423.97	6.26	-94.86
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913728	1	55	0.0	-93.74	425.18	6.17	-87.57
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C(=O)N2)C1	REAL300012913729	0	49	0.0	-104.95	393.79	5.50	-99.45
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C(=O)N2)C1	REAL300012913729	1	49	0.0	-95.90	393.81	5.50	-90.40
COCCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913730	0	49	0.0	-104.74	395.60	3.06	-101.68
COCCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913730	1	49	0.0	-104.60	395.59	3.07	-101.53
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913731	0	54	0.0	-101.90	411.17	7.44	-94.46
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913731	1	54	0.0	-100.31	410.16	7.49	-92.82
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C(=O)N2)C1	REAL300012913732	0	45	0.0	-99.64	372.53	4.53	-95.11
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC(F)F)C(=O)[O-])C(=O)N2)C1	REAL300012913732	1	45	0.0	-99.69	372.54	4.52	-95.17
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913733	0	55	0.0	-106.61	415.54	8.50	-98.11
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913733	1	55	0.0	-106.31	415.48	8.47	-97.84
CCCN(C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(C)C(=O)[O-]	REAL300012913734	0	51	0.0	-94.32	391.95	7.50	-86.82
CCCN(C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(C)C(=O)[O-]	REAL300012913734	1	51	0.0	-94.71	392.00	7.42	-87.29
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913735	0	55	0.0	-107.96	429.81	9.69	-98.27
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913735	1	55	0.0	-77.02	429.37	9.86	-67.16
CCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300012913736	0	55	0.0	-101.32	422.86	7.75	-93.57
CCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300012913736	1	55	0.0	-101.22	422.85	7.75	-93.47
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CCF)C(=O)[O-])C(=O)N2)C1	REAL300012913737	0	45	0.0	-102.68	367.67	4.15	-98.53
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CCF)C(=O)[O-])C(=O)N2)C1	REAL300012913737	1	45	0.0	-102.80	368.28	4.21	-98.59
COC1(CC(NC(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C(=O)[O-])CCC1	REAL300012913738	0	56	0.0	-106.73	431.68	5.44	-101.29
COC1(CC(NC(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C(=O)[O-])CCC1	REAL300012913738	1	56	0.0	-106.85	432.33	5.37	-101.48
C[N@@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])C3CCOCC3)C(=O)N2)C1	REAL300012913739	0	53	0.0	-95.74	404.67	5.72	-90.02
C[N@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])C3CCOCC3)C(=O)N2)C1	REAL300012913739	1	53	0.0	-95.30	404.66	5.73	-89.57
C[N@@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])C3CCCCC3)C(=O)N2)C1	REAL300012913740	0	55	0.0	-95.74	413.58	8.10	-87.64
C[N@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])C3CCCCC3)C(=O)N2)C1	REAL300012913740	1	55	0.0	-95.20	413.65	8.11	-87.09
C[C@H]1CC[C@@](NC(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)(C(=O)[O-])CC1	REAL300012913741	0	55	0.0	-101.19	405.26	6.60	-94.59
C[C@H]1CC[C@@](NC(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)(C(=O)[O-])CC1	REAL300012913741	1	55	0.0	-101.08	405.27	6.59	-94.49
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C(=O)N2)C1	REAL300012913742	0	48	0.0	-93.81	372.64	4.52	-89.29
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C)(CCF)C(=O)[O-])C(=O)N2)C1	REAL300012913742	1	48	0.0	-93.86	372.66	4.52	-89.34
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])C(=O)N2)C1	REAL300012913743	0	50	0.0	-86.73	394.86	6.56	-80.17
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])C(=O)N2)C1	REAL300012913743	1	50	0.0	-84.46	395.61	6.68	-77.78
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913744	0	46	0.0	-96.91	374.44	5.78	-91.13
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CC(F)(F)C[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913744	1	46	0.0	-96.89	374.45	5.75	-91.14
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913745	0	45	0.0	-99.21	352.00	5.07	-94.14
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913745	1	45	0.0	-99.22	352.01	5.07	-94.15
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)C(=O)N2)C1	REAL300012913746	0	58	0.0	-112.48	419.31	7.08	-105.40
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)C(=O)N2)C1	REAL300012913746	1	58	0.0	-112.87	419.35	7.09	-105.78
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C(=O)N2)C1	REAL300012913747	0	47	0.0	-114.84	368.52	6.54	-108.30
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CC4CC3(C(=O)[O-])C4)C(=O)N2)C1	REAL300012913747	1	47	0.0	-112.77	366.02	6.56	-106.21
COC1CN(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C(C)(C(=O)[O-])C1	REAL300012913748	0	53	0.0	-112.33	409.67	5.48	-106.85
COC1CN(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C(C)(C(=O)[O-])C1	REAL300012913748	1	53	0.0	-112.03	409.67	5.48	-106.55
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCCOC3)C(=O)[O-])C(=O)N2)C1	REAL300012913749	0	56	0.0	-96.98	433.06	4.90	-92.08
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCCOC3)C(=O)[O-])C(=O)N2)C1	REAL300012913749	1	56	0.0	-103.51	428.85	5.59	-97.92
C[N@@H+]1CCC2=C(C=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(=O)N2)C1	REAL300012913750	0	51	0.0	-105.55	391.10	5.12	-100.43
C[N@H+]1CCC2=C(C=C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(=O)N2)C1	REAL300012913750	1	51	0.0	-106.68	392.72	5.11	-101.57
C=C(Cl)CC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913751	0	46	0.0	-104.76	390.35	5.07	-99.69
C=C(Cl)CC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913751	1	46	0.0	-105.20	391.19	5.05	-100.15
C=C(C)CC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913752	0	49	0.0	-104.88	394.94	5.21	-99.67
C=C(C)CC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913752	1	49	0.0	-105.27	395.28	5.26	-100.01
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)C(=O)N2)C1	REAL300012913753	0	50	0.0	-113.07	380.53	7.37	-105.70
C[N@H+]1CCC2=C(C=C(CNC(=O)N3C4CCC3(C(=O)[O-])CC4)C(=O)N2)C1	REAL300012913753	1	50	0.0	-116.64	382.68	7.38	-109.26
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913754	0	46	0.0	-103.41	373.65	6.09	-97.32
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913754	1	46	0.0	-103.62	373.69	6.08	-97.54
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913755	0	46	0.0	-109.94	367.99	5.67	-104.27
C[N@H+]1CCC2=C(C=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913755	1	46	0.0	-110.22	368.00	5.67	-104.55
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C1	REAL300012913756	0	47	0.0	-113.36	376.25	5.94	-107.42
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C1	REAL300012913756	1	47	0.0	-113.77	376.23	5.95	-107.82
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCOCC3)C(=O)[O-])C(=O)N2)C1	REAL300012913757	0	56	0.0	-95.29	429.16	5.48	-89.81
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCOCC3)C(=O)[O-])C(=O)N2)C1	REAL300012913757	1	56	0.0	-106.54	432.55	4.83	-101.71
CC(C)C[C@H](NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913758	0	51	0.0	-105.62	400.61	5.30	-100.32
CC(C)C[C@H](NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913758	1	51	0.0	-105.49	400.58	5.35	-100.14
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCOCC3)C(=O)N2)C1	REAL300012913759	0	53	0.0	-105.24	409.98	4.07	-101.17
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCOCC3)C(=O)N2)C1	REAL300012913759	1	53	0.0	-98.76	405.85	3.86	-94.90
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C(=O)N2)C1	REAL300012913760	0	49	0.0	-106.45	398.04	6.07	-100.38
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C(=O)N2)C1	REAL300012913760	1	49	0.0	-99.39	398.10	6.08	-93.31
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C(=O)N2)C1	REAL300012913761	0	49	0.0	-104.95	393.79	5.50	-99.45
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CC3)C(=O)[O-])C(=O)N2)C1	REAL300012913761	1	49	0.0	-95.90	393.81	5.50	-90.40
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3=CN=CS3)C(=O)[O-])C(=O)N2)C1	REAL300012913762	0	48	0.0	-96.67	407.08	4.15	-92.52
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3=CN=CS3)C(=O)[O-])C(=O)N2)C1	REAL300012913762	1	48	0.0	-102.82	406.08	4.20	-98.62
CC(C)CCCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913763	0	57	0.0	-96.10	443.99	6.84	-89.26
CC(C)CCCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913763	1	57	0.0	-104.77	443.98	6.85	-97.92
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCCO3)C(=O)[O-])C(=O)N2)C1	REAL300012913764	0	53	0.0	-97.88	416.07	4.87	-93.01
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCCO3)C(=O)[O-])C(=O)N2)C1	REAL300012913764	1	53	0.0	-97.37	415.83	4.93	-92.44
CSCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913765	0	46	0.0	-101.97	385.16	4.48	-97.49
CSCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913765	1	46	0.0	-101.79	384.71	4.44	-97.35
COC[C@H](NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913766	0	46	0.0	-106.83	373.28	2.23	-104.60
COC[C@H](NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913766	1	46	0.0	-106.69	373.77	2.24	-104.45
CC[C@H](NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913767	0	45	0.0	-104.89	361.91	4.00	-100.89
CC[C@H](NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913767	1	45	0.0	-104.57	361.09	4.01	-100.56
CCC(C)CC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913768	0	54	0.0	-105.92	418.62	6.06	-99.86
CCC(C)CC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913768	1	54	0.0	-96.42	418.85	5.97	-90.45
C=CCCCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913769	0	52	0.0	-104.31	417.73	6.12	-98.19
C=CCCCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913769	1	52	0.0	-104.30	417.50	6.17	-98.13
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCSCC3C(=O)[O-])C(=O)N2)C1	REAL300012913770	0	47	0.0	-108.54	372.17	7.13	-101.41
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCSCC3C(=O)[O-])C(=O)N2)C1	REAL300012913770	1	47	0.0	-109.06	372.17	7.13	-101.93
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C(=O)N2)C1	REAL300012913771	0	52	0.0	-108.16	405.86	6.85	-101.31
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C(=O)N2)C1	REAL300012913771	1	52	0.0	-100.71	405.89	6.85	-93.86
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913772	0	46	0.0	-103.96	361.43	5.60	-98.36
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCC[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913772	1	46	0.0	-104.11	361.44	5.60	-98.51
CCCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913773	0	48	0.0	-104.87	383.19	4.83	-100.04
CCCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913773	1	48	0.0	-104.82	383.41	4.77	-100.05
CC(C)[C@@H](NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913774	0	48	0.0	-96.77	374.02	4.33	-92.44
CC(C)[C@@H](NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913774	1	48	0.0	-95.54	377.04	4.61	-90.93
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C(=O)N2)C1	REAL300012913775	0	50	0.0	-116.95	381.65	7.45	-109.50
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C(=O)N2)C1	REAL300012913775	1	50	0.0	-115.55	382.09	7.49	-108.06
CCN(C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(C)(C)C(=O)[O-]	REAL300012913776	0	51	0.0	-101.04	386.65	6.79	-94.25
CCN(C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(C)(C)C(=O)[O-]	REAL300012913776	1	51	0.0	-100.83	386.64	6.79	-94.04
CCCN(C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(C)C(=O)[O-]	REAL300012913777	0	51	0.0	-94.32	391.95	7.50	-86.82
CCCN(C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(C)C(=O)[O-]	REAL300012913777	1	51	0.0	-94.71	392.00	7.42	-87.29
C[N@@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C(=O)N2)C1	REAL300012913778	0	45	0.0	-92.43	374.47	6.32	-86.11
C[N@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C(=O)N2)C1	REAL300012913778	1	45	0.0	-92.53	374.48	6.32	-86.21
C[N@@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C(=O)N2)C1	REAL300012913779	0	45	0.0	-92.43	374.47	6.32	-86.11
C[N@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C(=O)N2)C1	REAL300012913779	1	45	0.0	-92.53	374.48	6.32	-86.21
CN(C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(C)(C)C(=O)[O-]	REAL300012913780	0	48	0.0	-100.87	367.07	5.91	-94.96
CN(C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(C)(C)C(=O)[O-]	REAL300012913780	1	48	0.0	-100.67	367.05	5.92	-94.75
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913781	0	46	0.0	-112.95	361.39	5.63	-107.32
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCC[C@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913781	1	46	0.0	-112.87	360.65	5.93	-106.94
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913782	0	47	0.0	-104.26	372.71	2.22	-102.04
C[N@H+]1CCC2=C(C=C(CNC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913782	1	47	0.0	-104.43	372.70	2.22	-102.21
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913783	0	53	0.0	-95.73	414.96	8.95	-86.78
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913783	1	53	0.0	-79.74	414.11	9.00	-70.74
CCC[C@@H](NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913784	0	48	0.0	-96.15	383.41	4.77	-91.38
CCC[C@@H](NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913784	1	48	0.0	-96.16	383.42	4.77	-91.39
C[N@@H+]1CCC2=C(C=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C(=O)N2)C1	REAL300012913785	0	49	0.0	-99.37	398.09	6.07	-93.30
C[N@H+]1CCC2=C(C=C(CNC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C(=O)N2)C1	REAL300012913785	1	49	0.0	-98.91	397.85	6.16	-92.75
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CCC3=CC=NC=C3)C(=O)[O-])C(=O)N2)C1	REAL300012913786	0	54	0.0	-96.93	437.96	6.08	-90.85
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CCC3=CC=NC=C3)C(=O)[O-])C(=O)N2)C1	REAL300012913786	1	54	0.0	-97.38	438.21	6.03	-91.35
C=CCCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913787	0	49	0.0	-103.97	395.39	5.34	-98.63
C=CCCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913787	1	49	0.0	-104.19	396.00	5.39	-98.80
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3=NC=CS3)C(=O)[O-])C(=O)N2)C1	REAL300012913788	0	48	0.0	-103.62	407.12	4.02	-99.60
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3=NC=CS3)C(=O)[O-])C(=O)N2)C1	REAL300012913788	1	48	0.0	-98.61	406.64	4.08	-94.53
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCS(=O)(=O)CC3C(=O)[O-])C(=O)N2)C1	REAL300012913789	0	49	0.0	-113.88	390.95	3.42	-110.46
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCS(=O)(=O)CC3C(=O)[O-])C(=O)N2)C1	REAL300012913789	1	49	0.0	-114.42	390.95	3.42	-111.00
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)CC1=O	REAL300012913790	0	50	0.0	-103.67	388.41	5.16	-98.51
CN1CC(C(=O)[O-])N(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)CC1=O	REAL300012913790	1	50	0.0	-103.70	388.49	5.19	-98.51
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C(=O)N2)C1	REAL300012913791	0	49	0.0	-102.91	377.75	6.46	-96.45
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCC[C@]3(C)C(=O)[O-])C(=O)N2)C1	REAL300012913791	1	49	0.0	-103.08	377.79	6.46	-96.62
CC(C)[C@H](NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913792	0	48	0.0	-105.66	378.95	4.57	-101.09
CC(C)[C@H](NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913792	1	48	0.0	-104.12	376.10	4.54	-99.58
C[N@@H+]1CCC2=C(C=C(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C(=O)N2)C1	REAL300012913793	0	49	0.0	-106.28	397.45	6.10	-100.18
C[N@H+]1CCC2=C(C=C(CNC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C(=O)N2)C1	REAL300012913793	1	49	0.0	-106.56	398.04	6.07	-100.49
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])C(=O)N2)C1	REAL300012913794	0	52	0.0	-101.56	407.48	5.42	-96.14
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])C(=O)N2)C1	REAL300012913794	1	52	0.0	-108.57	411.77	5.47	-103.10
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913795	0	45	0.0	-99.21	352.00	5.07	-94.14
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913795	1	45	0.0	-99.22	352.01	5.07	-94.15
CCC[C@H](NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913796	0	48	0.0	-104.67	382.58	4.78	-99.89
CCC[C@H](NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913796	1	48	0.0	-104.80	383.42	4.77	-100.03
CCN(C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(C)C(=O)[O-]	REAL300012913797	0	48	0.0	-101.26	370.78	5.94	-95.32
CCN(C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(C)C(=O)[O-]	REAL300012913797	1	48	0.0	-91.60	369.62	5.85	-85.75
C[N@@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C(=O)N2)C1	REAL300012913798	0	52	0.0	-95.25	396.20	7.39	-87.86
C[N@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])C3CCCC3)C(=O)N2)C1	REAL300012913798	1	52	0.0	-79.89	397.22	7.48	-72.41
CC(CN(C)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913799	0	48	0.0	-97.03	372.29	5.48	-91.55
CC(CN(C)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913799	1	48	0.0	-97.05	373.14	5.49	-91.56
CC[C@H](C)[C@H](NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913800	0	51	0.0	-106.24	393.14	4.96	-101.28
CC[C@H](C)[C@H](NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913800	1	51	0.0	-106.10	393.16	4.96	-101.14
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913801	0	48	0.0	-99.10	373.38	6.15	-92.95
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913801	1	48	0.0	-99.06	373.39	6.15	-92.91
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)C(=O)N2)C1	REAL300012913802	0	50	0.0	-104.10	395.04	2.00	-102.10
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CC(CO)C3)C(=O)N2)C1	REAL300012913802	1	50	0.0	-104.31	395.03	2.01	-102.30
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913803	0	58	0.0	-108.66	445.39	5.31	-103.35
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913803	1	58	0.0	-108.50	445.38	5.31	-103.19
CC1CCC(NC(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)(C(=O)[O-])C1	REAL300012913804	0	52	0.0	-111.31	396.95	5.70	-105.61
CC1CCC(NC(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)(C(=O)[O-])C1	REAL300012913804	1	52	0.0	-100.89	397.96	5.68	-95.21
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCCC3(C)C)C(=O)N2)C1	REAL300012913805	0	55	0.0	-102.38	405.84	6.36	-96.02
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCCC3(C)C)C(=O)N2)C1	REAL300012913805	1	55	0.0	-112.14	407.52	6.45	-105.69
COCCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913806	0	49	0.0	-104.74	395.60	3.06	-101.68
COCCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913806	1	49	0.0	-104.60	395.59	3.07	-101.53
CN(C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012913807	0	55	0.0	-104.23	430.85	9.14	-95.09
CN(C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012913807	1	55	0.0	-92.96	430.86	9.08	-83.88
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C(=O)N2)C1	REAL300012913808	0	52	0.0	-103.48	399.11	6.41	-97.07
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C(=O)N2)C1	REAL300012913808	1	52	0.0	-103.67	399.11	6.41	-97.26
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C(=O)N2)C1	REAL300012913809	0	49	0.0	-106.64	390.73	5.08	-101.56
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3(C)CC3)C(=O)N2)C1	REAL300012913809	1	49	0.0	-106.84	390.72	5.08	-101.76
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913810	0	58	0.0	-97.92	445.79	5.28	-92.64
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913810	1	58	0.0	-98.74	446.25	5.23	-93.51
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913811	0	47	0.0	-109.39	371.35	2.40	-106.99
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913811	1	47	0.0	-109.63	371.34	2.40	-107.23
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCOC3)C(=O)N2)C1	REAL300012913812	0	50	0.0	-95.66	393.66	3.21	-92.45
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCOC3)C(=O)N2)C1	REAL300012913812	1	50	0.0	-95.70	393.65	3.21	-92.49
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C(=O)N2)C1	REAL300012913813	0	50	0.0	-116.66	382.83	7.05	-109.61
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C(=O)N2)C1	REAL300012913813	1	50	0.0	-117.15	382.75	7.06	-110.09
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)C(=O)N2)C1	REAL300012913814	0	48	0.0	-109.10	375.05	4.84	-104.26
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CC4CC3(C(=O)[O-])CO4)C(=O)N2)C1	REAL300012913814	1	48	0.0	-109.51	374.96	4.82	-104.69
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C1	REAL300012913815	0	52	0.0	-114.88	388.17	8.06	-106.82
CC1CCC(C(=O)[O-])N(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C1	REAL300012913815	1	52	0.0	-109.41	392.58	7.50	-101.91
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913816	0	55	0.0	-106.09	437.09	7.44	-98.65
CC(C1=CC=CC=C1)C(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913816	1	55	0.0	-97.14	435.55	7.35	-89.79
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CC=CCC3)C(=O)[O-])C(=O)N2)C1	REAL300012913817	0	56	0.0	-95.49	429.90	7.87	-87.62
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CC=CCC3)C(=O)[O-])C(=O)N2)C1	REAL300012913817	1	56	0.0	-95.53	429.90	7.88	-87.65
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C(=O)N2)C1	REAL300012913818	0	49	0.0	-97.51	382.04	4.89	-92.62
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C(=O)N2)C1	REAL300012913818	1	49	0.0	-97.42	388.83	5.06	-92.36
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCCCC3)C(=O)N2)C1	REAL300012913819	0	55	0.0	-98.62	415.64	6.21	-92.41
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCCCC3)C(=O)N2)C1	REAL300012913819	1	55	0.0	-107.18	420.59	6.46	-100.72
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C(=O)N2)C1	REAL300012913820	0	49	0.0	-97.51	382.04	4.89	-92.62
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCC3)C(=O)N2)C1	REAL300012913820	1	49	0.0	-97.42	388.83	5.06	-92.36
CC1CCN(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C1C(=O)[O-]	REAL300012913821	0	49	0.0	-104.89	376.81	6.06	-98.83
CC1CCN(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C1C(=O)[O-]	REAL300012913821	1	49	0.0	-112.73	374.42	6.45	-106.28
C=CCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913822	0	46	0.0	-104.31	374.40	4.46	-99.85
C=CCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913822	1	46	0.0	-104.53	375.00	4.51	-100.02
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCCCO3)C(=O)[O-])C(=O)N2)C1	REAL300012913823	0	56	0.0	-100.18	436.11	5.17	-95.01
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCCCO3)C(=O)[O-])C(=O)N2)C1	REAL300012913823	1	56	0.0	-106.06	434.16	5.74	-100.32
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)C(=O)N2)C1	REAL300012913824	0	56	0.0	-78.70	407.66	7.72	-70.98
C[N@H+]1CCC2=C(C=C(CNC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)C(=O)N2)C1	REAL300012913824	1	56	0.0	-77.58	407.80	7.75	-69.83
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)C(=O)N2)C1	REAL300012913825	0	56	0.0	-110.23	411.91	5.01	-105.22
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)C(=O)N2)C1	REAL300012913825	1	56	0.0	-99.83	411.91	5.00	-94.83
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913826	0	50	0.0	-81.14	383.67	6.95	-74.19
C[N@H+]1CCC2=C(C=C(CNC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913826	1	50	0.0	-79.92	383.72	6.94	-72.98
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CC=CCC3)C(=O)[O-])C(=O)N2)C1	REAL300012913827	0	56	0.0	-95.49	429.90	7.87	-87.62
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CC=CCC3)C(=O)[O-])C(=O)N2)C1	REAL300012913827	1	56	0.0	-95.53	429.90	7.88	-87.65
COC1CC(NC(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)(C(=O)[O-])C1	REAL300012913828	0	50	0.0	-106.34	394.62	3.58	-102.76
COC1CC(NC(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)(C(=O)[O-])C1	REAL300012913828	1	50	0.0	-106.23	394.62	3.58	-102.65
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C(=O)N2)C1	REAL300012913829	0	46	0.0	-107.78	371.61	4.74	-103.04
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C(=O)N2)C1	REAL300012913829	1	46	0.0	-100.21	371.46	4.74	-95.47
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CO[C@H]1C[C@](NC(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)(C(=O)[O-])C1	REAL300012913830	1	50	0.0	-106.12	394.65	3.58	-102.54
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913831	0	52	0.0	-115.04	393.54	7.65	-107.39
CCC1(C(=O)[O-])CCCN1C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913831	1	52	0.0	-103.53	393.65	7.52	-96.01
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C(=O)N2)C1	REAL300012913832	0	45	0.0	-91.82	377.85	4.70	-87.12
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C(=O)N2)C1	REAL300012913832	1	45	0.0	-98.10	377.62	4.78	-93.32
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCOC3)C(=O)[O-])C(=O)N2)C1	REAL300012913833	0	53	0.0	-96.14	416.56	4.13	-92.01
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCOC3)C(=O)[O-])C(=O)N2)C1	REAL300012913833	1	53	0.0	-102.76	412.28	4.59	-98.17
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])COC3)C(=O)N2)C1	REAL300012913834	0	44	0.0	-96.66	353.86	1.75	-94.91
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])COC3)C(=O)N2)C1	REAL300012913834	1	44	0.0	-96.84	353.86	1.76	-95.08
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3=CC=CS3)C(=O)[O-])C(=O)N2)C1	REAL300012913835	0	49	0.0	-95.15	412.30	6.07	-89.08
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3=CC=CS3)C(=O)[O-])C(=O)N2)C1	REAL300012913835	1	49	0.0	-95.15	412.32	6.08	-89.07
CC(C)C(C)(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913836	0	51	0.0	-107.76	382.80	5.07	-102.69
CC(C)C(C)(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913836	1	51	0.0	-107.21	380.97	4.99	-102.22
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913837	0	47	0.0	-111.61	368.00	7.10	-104.51
C[N@H+]1CCC2=C(C=C(CNC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913837	1	47	0.0	-112.00	367.99	7.12	-104.88
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913838	0	50	0.0	-105.59	383.89	6.67	-98.92
C[N@H+]1CCC2=C(C=C(CNC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913838	1	50	0.0	-105.75	383.89	6.67	-99.08
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913839	0	55	0.0	-107.96	429.81	9.69	-98.27
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913839	1	55	0.0	-77.02	429.37	9.86	-67.16
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCCCC3)C(=O)[O-])C(=O)N2)C1	REAL300012913840	0	58	0.0	-105.89	441.41	7.21	-98.68
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCCCC3)C(=O)[O-])C(=O)N2)C1	REAL300012913840	1	58	0.0	-96.46	442.06	7.28	-89.18
C[N@@H+]1CCC2=C(C=C(CNC(=O)N[C@@H](CCC3=CC=CC=C3)C(=O)[O-])C(=O)N2)C1	REAL300012913841	0	55	0.0	-105.48	443.07	7.85	-97.63
C[N@H+]1CCC2=C(C=C(CNC(=O)N[C@@H](CCC3=CC=CC=C3)C(=O)[O-])C(=O)N2)C1	REAL300012913841	1	55	0.0	-105.75	443.32	7.79	-97.96
C[N@@H+]1CCC2=C(C=C(CNC(=O)N[C@H](CCC3=CC=CC=C3)C(=O)[O-])C(=O)N2)C1	REAL300012913842	0	55	0.0	-96.88	443.08	7.85	-89.03
C[N@H+]1CCC2=C(C=C(CNC(=O)N[C@H](CCC3=CC=CC=C3)C(=O)[O-])C(=O)N2)C1	REAL300012913842	1	55	0.0	-96.91	443.06	7.85	-89.06
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CC4CCC3C4)C(=O)N2)C1	REAL300012913843	0	56	0.0	-98.93	424.21	6.65	-92.28
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CC4CCC3C4)C(=O)N2)C1	REAL300012913843	1	56	0.0	-108.74	424.34	6.62	-102.12
C[N@@H+]1CCC2=C(C=C(CNC(=O)N[C@H](CC3CCCCC3)C(=O)[O-])C(=O)N2)C1	REAL300012913844	0	58	0.0	-96.53	442.05	7.28	-89.25
C[N@H+]1CCC2=C(C=C(CNC(=O)N[C@H](CC3CCCCC3)C(=O)[O-])C(=O)N2)C1	REAL300012913844	1	58	0.0	-96.50	442.04	7.28	-89.22
C[N@@H+]1CCC2=C(C=C(CNC(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])C(=O)N2)C1	REAL300012913845	0	58	0.0	-106.04	442.24	7.21	-98.83
C[N@H+]1CCC2=C(C=C(CNC(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])C(=O)N2)C1	REAL300012913845	1	58	0.0	-106.26	442.24	7.21	-99.05
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CC4(CCCC4)CC3C(=O)[O-])C(=O)N2)C1	REAL300012913846	0	56	0.0	-95.84	423.38	7.84	-88.00
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CC4(CCCC4)CC3C(=O)[O-])C(=O)N2)C1	REAL300012913846	1	56	0.0	-79.34	423.31	7.84	-71.50
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913847	0	56	0.0	-106.58	419.65	7.59	-98.99
C[N@H+]1CCC2=C(C=C(CNC(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913847	1	56	0.0	-106.20	418.42	7.69	-98.51
C=CCSCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913848	0	50	0.0	-102.30	419.66	5.88	-96.42
C=CCSCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913848	1	50	0.0	-102.34	419.68	5.87	-96.47
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913849	0	51	0.0	-91.72	386.64	6.82	-84.90
CCC(C(=O)[O-])N(CC)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913849	1	51	0.0	-100.46	386.62	6.82	-93.64
COC1(C(NC(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C(=O)[O-])CCC1	REAL300012913850	0	53	0.0	-99.27	409.85	3.83	-95.44
COC1(C(NC(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C(=O)[O-])CCC1	REAL300012913850	1	53	0.0	-109.18	409.98	3.79	-105.39
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CC(C(F)F)C3)C(=O)N2)C1	REAL300012913851	0	49	0.0	-106.21	394.78	5.56	-100.65
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CC(C(F)F)C3)C(=O)N2)C1	REAL300012913851	1	49	0.0	-98.16	392.85	5.45	-92.71
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913853	0	46	0.0	-109.94	367.99	5.67	-104.27
C[N@H+]1CCC2=C(C=C(CNC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913853	1	46	0.0	-110.22	368.00	5.67	-104.55
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C(=O)N2)C1	REAL300012913854	0	48	0.0	-80.21	376.00	6.79	-73.42
C[N@H+]1CCC2=C(C=C(CNC(=O)N3C4C=CC(C4)C3C(=O)[O-])C(=O)N2)C1	REAL300012913854	1	48	0.0	-94.79	376.37	6.73	-88.06
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])C(=O)N2)C1	REAL300012913855	0	52	0.0	-105.71	396.81	6.54	-99.17
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCC(C)(C)C3C(=O)[O-])C(=O)N2)C1	REAL300012913855	1	52	0.0	-107.03	398.23	6.46	-100.57
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CC4(CCC4)CCC3C(=O)[O-])C(=O)N2)C1	REAL300012913856	0	56	0.0	-114.24	416.07	8.83	-105.41
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CC4(CCC4)CCC3C(=O)[O-])C(=O)N2)C1	REAL300012913856	1	56	0.0	-114.76	416.10	8.83	-105.93
CC(C)CCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913857	0	54	0.0	-105.16	422.49	6.06	-99.10
CC(C)CCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913857	1	54	0.0	-105.05	422.48	6.07	-98.98
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CC4(CCC4)CC3C(=O)[O-])C(=O)N2)C1	REAL300012913858	0	53	0.0	-80.69	408.44	7.35	-73.34
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CC4(CCC4)CC3C(=O)[O-])C(=O)N2)C1	REAL300012913858	1	53	0.0	-79.61	408.43	7.36	-72.25
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCOC3)C(=O)[O-])C(=O)N2)C1	REAL300012913859	0	53	0.0	-96.14	416.56	4.13	-92.01
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3CCOC3)C(=O)[O-])C(=O)N2)C1	REAL300012913859	1	53	0.0	-102.76	412.28	4.59	-98.17
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C1	REAL300012913860	0	50	0.0	-109.75	403.72	7.10	-102.65
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C1	REAL300012913860	1	50	0.0	-109.45	403.77	7.08	-102.37
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCCC4CC43)C(=O)N2)C1	REAL300012913861	0	53	0.0	-100.70	399.96	6.57	-94.13
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCCC4CC43)C(=O)N2)C1	REAL300012913861	1	53	0.0	-100.83	399.97	6.58	-94.25
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCC4CC43)C(=O)N2)C1	REAL300012913862	0	50	0.0	-101.78	385.63	5.76	-96.02
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CCC4CC43)C(=O)N2)C1	REAL300012913862	1	50	0.0	-101.94	385.65	5.76	-96.18
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C(=O)N2)C1	REAL300012913863	0	53	0.0	-102.20	405.40	6.34	-95.86
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C(=O)N2)C1	REAL300012913863	1	53	0.0	-102.33	405.42	6.34	-95.99
CN(C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012913864	0	55	0.0	-92.85	428.91	8.95	-83.90
CN(C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012913864	1	55	0.0	-92.91	429.42	9.05	-83.86
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCCC3)C(=O)N2)C1	REAL300012913865	0	52	0.0	-105.97	401.88	5.69	-100.28
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCCC3)C(=O)N2)C1	REAL300012913865	1	52	0.0	-106.92	403.33	5.67	-101.25
CO[C@H](C)[C@H](NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913866	0	49	0.0	-106.77	391.77	3.31	-103.46
CO[C@H](C)[C@H](NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913866	1	49	0.0	-106.66	391.91	3.24	-103.42
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913867	0	49	0.0	-109.73	380.96	5.14	-104.59
CC1[C@@H](C)[C@@]1(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913867	1	49	0.0	-102.86	376.10	5.25	-97.61
C[N@@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C(=O)N2)C1	REAL300012913868	0	52	0.0	-82.12	418.79	8.82	-73.30
C[N@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C(=O)N2)C1	REAL300012913868	1	52	0.0	-95.25	418.86	8.83	-86.42
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])C(=O)N2)C1	REAL300012913869	0	52	0.0	-96.53	402.80	6.63	-89.90
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CC(C)(C)CC3C(=O)[O-])C(=O)N2)C1	REAL300012913869	1	52	0.0	-79.14	400.46	6.72	-72.42
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCC(F)(F)CC3C(=O)[O-])C(=O)N2)C1	REAL300012913870	0	49	0.0	-106.30	383.01	7.03	-99.27
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCC(F)(F)CC3C(=O)[O-])C(=O)N2)C1	REAL300012913870	1	49	0.0	-109.30	383.32	7.29	-102.01
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])C(=O)N2)C1	REAL300012913871	0	46	0.0	-105.35	373.22	5.75	-99.60
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CCC(F)(F)C3C(=O)[O-])C(=O)N2)C1	REAL300012913871	1	46	0.0	-103.90	371.83	5.93	-97.97
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3=CSC=C3)C(=O)[O-])C(=O)N2)C1	REAL300012913872	0	49	0.0	-104.92	410.33	5.96	-98.96
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC3=CSC=C3)C(=O)[O-])C(=O)N2)C1	REAL300012913872	1	49	0.0	-105.16	410.36	5.97	-99.19
C[N@@H+]1CCC2=C(C=C(CNC(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C(=O)N2)C1	REAL300012913873	0	49	0.0	-99.49	390.27	6.69	-92.80
C[N@H+]1CCC2=C(C=C(CNC(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C(=O)N2)C1	REAL300012913873	1	49	0.0	-103.66	389.93	6.61	-97.05
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC3=CSC=C3)C(=O)[O-])C(=O)N2)C1	REAL300012913874	0	49	0.0	-104.92	410.33	5.96	-98.96
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C[N@@H+]1CCC2=C(C=C(CNC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913875	0	53	0.0	-106.20	398.13	6.96	-99.24
C[N@H+]1CCC2=C(C=C(CNC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C(=O)N2)C1	REAL300012913875	1	53	0.0	-106.47	398.17	6.96	-99.51
COCCCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913876	0	52	0.0	-103.82	416.86	3.90	-99.92
COCCCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913876	1	52	0.0	-103.83	417.09	3.84	-99.99
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913877	0	51	0.0	-100.19	393.81	6.93	-93.26
CCCC(C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913877	1	51	0.0	-91.77	394.89	6.92	-84.85
CCOCC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913878	0	49	0.0	-107.38	395.51	3.27	-104.11
CCOCC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300012913878	1	49	0.0	-107.24	395.14	3.20	-104.04
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C(=O)N2)C1	REAL300012913879	0	54	0.0	-105.88	412.76	6.40	-99.48
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C(=O)N2)C1	REAL300012913879	1	54	0.0	-96.09	412.52	6.45	-89.64
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCCCO3)C(=O)N2)C1	REAL300012913880	0	53	0.0	-98.40	413.50	4.60	-93.80
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(C(=O)[O-])C3CCCCO3)C(=O)N2)C1	REAL300012913880	1	53	0.0	-98.64	413.72	4.54	-94.10
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)C(=O)N2)C1	REAL300012913881	0	53	0.0	-102.03	417.54	7.33	-94.70
C[N@H+]1CCC2=C(C=C(CNC(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)C(=O)N2)C1	REAL300012913881	1	53	0.0	-102.02	417.55	7.33	-94.69
C[C@H]1OCCN(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)[C@@H]1C(=O)[O-]	REAL300012913882	0	50	0.0	-108.45	382.63	5.23	-103.22
C[C@H]1OCCN(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)[C@@H]1C(=O)[O-]	REAL300012913882	1	50	0.0	-111.24	383.68	5.47	-105.77
C[N@@H+]1CCC2=C(C=C(CNC(=O)NC(CCC#N)C(=O)[O-])C(=O)N2)C1	REAL300012913883	0	46	0.0	-104.59	381.94	4.51	-100.08
C[N@H+]1CCC2=C(C=C(CNC(=O)NC(CCC#N)C(=O)[O-])C(=O)N2)C1	REAL300012913883	1	46	0.0	-104.79	382.77	4.50	-100.29
C[N@@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CO3)C(=O)N2)C1	REAL300012913884	0	49	0.0	-82.75	394.85	6.72	-76.03
C[N@H+]1CCC2=C(C=C(CNC(=O)N(CC(=O)[O-])CC3=CC=CO3)C(=O)N2)C1	REAL300012913884	1	49	0.0	-95.91	400.52	6.97	-88.94
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O	REAL300012913885	0	45	0.0	-91.71	351.88	4.92	-86.79
C[C@H](C(=O)[O-])N(C)C(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O	REAL300012913885	1	45	0.0	-91.60	352.44	4.97	-86.63
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC3=C(CC[N@H+](C)C3)NC2=O)C1	REAL300012913886	0	53	0.0	-112.90	415.80	5.87	-107.03
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2=CC3=C(CC[N@@H+](C)C3)NC2=O)C1	REAL300012913886	1	53	0.0	-112.51	415.81	5.87	-106.64
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC(F)(F)CO2)CC1	REAL300012914308	0	51	0.0	-62.93	401.49	4.87	-58.06
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3CCCCCC3C2)CC1	REAL300012914586	0	63	0.0	-63.44	452.53	9.47	-53.97
CCN1CC(C)(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1=O	REAL300012915004	0	57	0.0	-64.05	433.66	5.72	-58.33
COC1=CC=C(C(CF)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300012915300	0	57	0.0	-61.48	436.56	7.35	-54.13
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(C#N)O2)CC1	REAL300012916641	0	48	0.0	-66.82	393.18	6.09	-60.73
CC1=C(Cl)C=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012916897	0	53	0.0	-63.52	422.37	8.66	-54.86
CCC[N@@H+]1CCCCC1CNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012917023	0	53	0.0	-65.69	387.98	8.01	-57.68
CCC[N@H+]1CCCCC1CNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012917023	1	53	0.0	-71.33	384.77	7.33	-64.00
C=CCOCC(NC(=O)NCC1CCCC[N@H+]1CCC)C(=O)[O-]	REAL300012917024	0	52	0.0	-68.77	391.71	5.79	-62.98
C=CCOCC(NC(=O)NCC1CCCC[N@@H+]1CCC)C(=O)[O-]	REAL300012917024	1	52	0.0	-70.72	392.55	5.86	-64.86
C=CC(C)C(NC(=O)NCC1CCCC[N@H+]1CCC)C(=O)[O-]	REAL300012917025	0	51	0.0	-70.25	377.50	7.17	-63.08
C=CC(C)C(NC(=O)NCC1CCCC[N@@H+]1CCC)C(=O)[O-]	REAL300012917025	1	51	0.0	-70.29	377.61	7.18	-63.11
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012917026	0	55	0.0	-65.50	391.92	6.17	-59.33
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012917026	1	55	0.0	-68.80	388.76	6.03	-62.77
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012917027	0	51	0.0	-64.11	394.42	8.20	-55.91
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012917027	1	51	0.0	-66.60	394.71	8.30	-58.30
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012917028	0	51	0.0	-63.39	404.07	8.73	-54.66
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012917028	1	51	0.0	-66.30	404.60	8.74	-57.56
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012917029	0	55	0.0	-79.30	390.94	9.03	-70.27
CCC[N@H+]1CCCCC1CNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012917029	1	55	0.0	-77.98	386.84	8.08	-69.90
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012917030	0	55	0.0	-67.14	394.00	6.59	-60.55
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012917030	1	55	0.0	-68.76	389.65	5.83	-62.93
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012917031	0	54	0.0	-77.42	380.52	10.28	-67.14
CCC[N@H+]1CCCCC1CNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012917031	1	54	0.0	-79.52	377.09	9.86	-69.66
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012917032	0	54	0.0	-66.38	408.45	8.78	-57.60
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012917032	1	54	0.0	-68.84	408.95	8.80	-60.04
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012917033	0	56	0.0	-68.66	417.44	8.01	-60.65
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012917033	1	56	0.0	-69.93	417.91	8.03	-61.90
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012917034	0	57	0.0	-68.89	423.59	9.64	-59.25
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012917034	1	57	0.0	-72.45	424.79	9.50	-62.95
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012917035	0	57	0.0	-69.91	419.91	9.37	-60.54
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012917035	1	57	0.0	-72.41	420.41	9.38	-63.03
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012917036	0	55	0.0	-66.61	427.00	8.02	-58.59
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300012917036	1	55	0.0	-71.65	427.75	7.94	-63.71
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012917037	0	57	0.0	-68.66	410.81	9.12	-59.54
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012917037	1	57	0.0	-68.87	411.69	9.29	-59.58
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012917038	0	55	0.0	-67.47	417.43	7.45	-60.02
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012917038	1	55	0.0	-72.44	417.94	7.45	-64.99
CCC[N@@H+]1CCCCC1CNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012917039	0	54	0.0	-53.33	381.65	9.53	-43.80
CCC[N@H+]1CCCCC1CNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012917039	1	54	0.0	-45.99	375.38	10.34	-35.65
CCCN(C(=O)NCC1CCCC[N@@H+]1CCC)C(COC)C(=O)[O-]	REAL300012917040	0	57	0.0	-70.25	402.29	8.21	-62.04
CCCN(C(=O)NCC1CCCC[N@H+]1CCC)C(COC)C(=O)[O-]	REAL300012917040	1	57	0.0	-73.06	412.61	10.21	-62.85
CCCN(C(=O)NCC1CCCC[N@@H+]1CCC)C(CC)C(=O)[O-]	REAL300012917041	0	56	0.0	-59.04	390.51	9.52	-49.52
CCCN(C(=O)NCC1CCCC[N@H+]1CCC)C(CC)C(=O)[O-]	REAL300012917041	1	56	0.0	-54.57	395.69	10.36	-44.21
CCC[N@@H+]1CCCCC1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012917042	0	51	0.0	-77.21	354.38	9.06	-68.15
CCC[N@H+]1CCCCC1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012917042	1	51	0.0	-76.25	359.99	9.59	-66.66
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012917043	0	51	0.0	-66.22	398.23	8.65	-57.57
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012917043	1	51	0.0	-66.37	398.74	8.71	-57.66
CCC[N@@H+]1CCCCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012917044	0	49	0.0	-65.73	368.42	8.43	-57.30
CCC[N@H+]1CCCCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012917044	1	49	0.0	-77.45	356.18	9.21	-68.24
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012917045	0	54	0.0	-73.81	375.12	8.22	-65.59
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012917045	1	54	0.0	-72.04	375.59	8.24	-63.80
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012917046	0	51	0.0	-73.72	360.61	7.13	-66.59
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012917046	1	51	0.0	-72.05	361.06	7.13	-64.92
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012917047	0	57	0.0	-74.58	380.72	8.86	-65.72
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012917047	1	57	0.0	-74.19	385.36	8.73	-65.46
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012917048	0	54	0.0	-70.80	403.25	9.19	-61.61
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012917048	1	54	0.0	-70.22	404.26	9.10	-61.12
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012917049	0	54	0.0	-57.64	402.46	10.81	-46.83
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012917049	1	54	0.0	-51.54	401.77	10.74	-40.80
CCC[N@@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012917050	0	51	0.0	-71.06	381.47	8.16	-62.90
CCC[N@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012917050	1	51	0.0	-70.17	382.25	8.09	-62.08
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012917051	0	51	0.0	-69.50	381.50	8.13	-61.37
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012917051	1	51	0.0	-70.27	382.25	8.09	-62.18
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012917052	0	54	0.0	-70.80	403.25	9.19	-61.61
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012917052	1	54	0.0	-70.22	404.26	9.10	-61.12
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C(C)CC	REAL300012917053	0	53	0.0	-71.57	380.57	7.23	-64.34
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C(C)CC	REAL300012917053	1	53	0.0	-71.83	377.31	6.98	-64.85
CCC[N@@H+]1CCCCC1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012917054	0	51	0.0	-77.21	354.38	9.06	-68.15
CCC[N@H+]1CCCCC1CNC(=O)N1CCCCC1C(=O)[O-]	REAL300012917054	1	51	0.0	-76.25	359.99	9.59	-66.66
CCC[N@@H+]1CCCCC1CNC(=O)NC(C)(CCC)C(=O)[O-]	REAL300012917055	0	53	0.0	-69.92	371.22	7.13	-62.79
CCC[N@H+]1CCCCC1CNC(=O)NC(C)(CCC)C(=O)[O-]	REAL300012917055	1	53	0.0	-66.15	370.48	7.30	-58.85
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012917056	0	53	0.0	-44.63	378.67	9.03	-35.60
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012917056	1	53	0.0	-50.54	378.92	9.26	-41.28
CCC[N@@H+]1CCCCC1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012917057	0	55	0.0	-77.02	394.66	10.96	-66.06
CCC[N@H+]1CCCCC1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012917057	1	55	0.0	-79.96	394.63	11.47	-68.49
CCC[N@@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012917058	0	51	0.0	-70.40	363.76	7.83	-62.57
CCC[N@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012917058	1	51	0.0	-69.17	359.65	7.15	-62.02
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012917059	0	48	0.0	-67.63	373.37	7.17	-60.46
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012917059	1	48	0.0	-68.39	373.85	7.18	-61.21
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012917060	0	54	0.0	-73.81	375.12	8.22	-65.59
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012917060	1	54	0.0	-72.04	375.59	8.24	-63.80
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012917061	0	54	0.0	-43.40	418.48	11.49	-31.91
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012917061	1	54	0.0	-48.31	418.50	11.51	-36.80
CCC[N@@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012917062	0	58	0.0	-70.20	432.84	9.16	-61.04
CCC[N@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012917062	1	58	0.0	-71.80	433.70	9.01	-62.79
CCC[N@@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300012917063	0	53	0.0	-65.69	379.70	7.64	-58.05
CCC[N@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300012917063	1	53	0.0	-70.58	375.66	6.97	-63.61
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012917064	0	51	0.0	-73.72	360.61	7.13	-66.59
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012917064	1	51	0.0	-72.05	361.06	7.13	-64.92
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012917065	0	54	0.0	-43.64	408.17	11.04	-32.60
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012917065	1	54	0.0	-48.55	408.17	11.06	-37.49
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012917066	0	55	0.0	-71.74	405.55	10.07	-61.67
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012917066	1	55	0.0	-68.82	405.56	10.08	-58.74
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012917067	0	51	0.0	-71.89	392.95	8.28	-63.61
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012917067	1	51	0.0	-68.63	392.39	8.29	-60.34
CCC[N@@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012917068	0	54	0.0	-72.20	389.85	8.89	-63.31
CCC[N@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012917068	1	54	0.0	-71.61	389.61	8.83	-62.78
CCCCCCC(C)(NC(=O)NCC1CCCC[N@@H+]1CCC)C(=O)[O-]	REAL300012917069	0	62	0.0	-66.28	434.98	9.64	-56.64
CCCCCCC(C)(NC(=O)NCC1CCCC[N@H+]1CCC)C(=O)[O-]	REAL300012917069	1	62	0.0	-68.61	434.95	9.63	-58.98
CCC[N@@H+]1CCCCC1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012917070	0	57	0.0	-70.95	414.63	10.98	-59.97
CCC[N@H+]1CCCCC1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012917070	1	57	0.0	-69.67	413.80	11.15	-58.52
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012917071	0	51	0.0	-66.22	398.23	8.65	-57.57
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012917071	1	51	0.0	-66.37	398.74	8.71	-57.66
CCC[N@@H+]1CCCCC1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012917072	0	49	0.0	-75.36	351.23	7.33	-68.03
CCC[N@H+]1CCCCC1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012917072	1	49	0.0	-74.81	346.44	6.45	-68.36
CCC[N@@H+]1CCCCC1CNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012917073	0	57	0.0	-73.82	384.87	9.59	-64.23
CCC[N@H+]1CCCCC1CNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012917073	1	57	0.0	-73.81	384.56	9.56	-64.25
CCC[N@@H+]1CCCCC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012917074	0	57	0.0	-58.09	419.68	11.38	-46.71
CCC[N@H+]1CCCCC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012917074	1	57	0.0	-57.91	420.19	11.40	-46.51
CCC[N@@H+]1CCCCC1CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012917075	0	54	0.0	-67.23	389.65	9.79	-57.44
CCC[N@H+]1CCCCC1CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012917075	1	54	0.0	-69.05	389.41	9.66	-59.39
CCC[N@@H+]1CCCCC1CNC(=O)N(CCOC)CC(=O)[O-]	REAL300012917076	0	51	0.0	-45.79	374.13	7.15	-38.64
CCC[N@H+]1CCCCC1CNC(=O)N(CCOC)CC(=O)[O-]	REAL300012917076	1	51	0.0	-50.85	374.14	7.17	-43.68
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012917077	0	55	0.0	-75.09	396.44	9.18	-65.91
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012917077	1	55	0.0	-75.45	396.81	9.17	-66.28
CCC[N@@H+]1CCCCC1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012917078	0	51	0.0	-77.22	359.59	9.66	-67.56
CCC[N@H+]1CCCCC1CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012917078	1	51	0.0	-76.87	359.60	9.66	-67.21
CCC[N@@H+]1CCCCC1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012917079	0	51	0.0	-76.14	361.41	8.47	-67.67
CCC[N@H+]1CCCCC1CNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012917079	1	51	0.0	-74.43	361.89	8.48	-65.95
CCC[N@@H+]1CCCCC1CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012917080	0	58	0.0	-78.66	437.91	8.96	-69.70
CCC[N@H+]1CCCCC1CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012917080	1	58	0.0	-76.84	438.15	9.04	-67.80
CCC[N@@H+]1CCCCC1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012917081	0	54	0.0	-74.86	374.73	10.57	-64.29
CCC[N@H+]1CCCCC1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012917081	1	54	0.0	-74.62	370.90	9.83	-64.79
CCCCC(NC(=O)NCC1CCCC[N@@H+]1CCC)C(=O)[O-]	REAL300012917082	0	53	0.0	-70.93	389.07	7.56	-63.37
CCCCC(NC(=O)NCC1CCCC[N@H+]1CCC)C(=O)[O-]	REAL300012917082	1	53	0.0	-68.38	387.82	7.72	-60.66
CCC[N@@H+]1CCCCC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012917083	0	57	0.0	-58.09	419.68	11.38	-46.71
CCC[N@H+]1CCCCC1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012917083	1	57	0.0	-57.91	420.19	11.40	-46.51
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012917084	0	51	0.0	-72.28	365.99	9.15	-63.13
CCC[N@H+]1CCCCC1CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012917084	1	51	0.0	-75.32	365.95	9.12	-66.20
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012917085	0	54	0.0	-46.81	384.39	10.08	-36.73
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012917085	1	54	0.0	-54.04	383.95	9.97	-44.07
CCC[N@@H+]1CCCCC1CNC(=O)NC(COC)C(=O)[O-]	REAL300012917086	0	48	0.0	-68.99	356.55	4.45	-64.54
CCC[N@H+]1CCCCC1CNC(=O)NC(COC)C(=O)[O-]	REAL300012917086	1	48	0.0	-69.30	356.70	4.42	-64.88
CCCCCC(NC(=O)NCC1CCCC[N@@H+]1CCC)C(=O)[O-]	REAL300012917087	0	56	0.0	-70.79	410.57	8.35	-62.44
CCCCCC(NC(=O)NCC1CCCC[N@H+]1CCC)C(=O)[O-]	REAL300012917087	1	56	0.0	-67.96	410.08	8.33	-59.63
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300012917088	0	60	0.0	-74.16	414.68	9.49	-64.67
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300012917088	1	60	0.0	-74.18	414.65	9.48	-64.70
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012917089	0	55	0.0	-54.66	389.38	7.68	-46.98
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012917089	1	55	0.0	-57.47	388.31	7.71	-49.76
CCC[N@@H+]1CCCCC1CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012917090	0	54	0.0	-73.61	371.29	8.80	-64.81
CCC[N@H+]1CCCCC1CNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012917090	1	54	0.0	-74.49	372.53	9.06	-65.43
CCC[N@@H+]1CCCCC1CNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012917091	0	51	0.0	-57.18	367.38	9.15	-48.03
CCC[N@H+]1CCCCC1CNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012917091	1	51	0.0	-55.92	362.00	8.48	-47.44
CCC[N@@H+]1CCCCC1CNC(=O)N(C(CC)C(=O)[O-])C1CC1	REAL300012917092	0	54	0.0	-52.71	387.22	10.14	-42.57
CCC[N@H+]1CCCCC1CNC(=O)N(C(CC)C(=O)[O-])C1CC1	REAL300012917092	1	54	0.0	-61.34	382.33	9.42	-51.92
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012917093	0	51	0.0	-71.16	393.69	8.51	-62.65
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012917093	1	51	0.0	-70.22	391.19	8.66	-61.56
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012917094	0	51	0.0	-75.16	386.14	8.17	-66.99
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012917094	1	51	0.0	-75.09	385.39	8.35	-66.74
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012917095	0	55	0.0	-72.13	401.75	11.12	-61.01
CCC[N@H+]1CCCCC1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012917095	1	55	0.0	-50.08	401.16	11.20	-38.88
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012917096	0	54	0.0	-69.07	417.33	9.13	-59.94
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012917096	1	54	0.0	-75.64	419.22	9.29	-66.35
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012917097	0	60	0.0	-74.98	447.44	11.15	-63.83
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012917097	1	60	0.0	-69.67	441.83	11.69	-57.98
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012917098	0	60	0.0	-71.65	426.31	9.24	-62.41
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012917098	1	60	0.0	-68.22	425.72	9.28	-58.94
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012917099	0	57	0.0	-46.66	415.04	12.18	-34.48
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012917099	1	57	0.0	-54.39	411.00	11.44	-42.95
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012917100	0	54	0.0	-69.61	402.91	8.79	-60.82
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012917100	1	54	0.0	-67.99	401.78	8.95	-59.04
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012917101	0	47	0.0	-62.96	361.52	6.71	-56.25
CCC[N@H+]1CCCCC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012917101	1	47	0.0	-60.66	360.77	6.86	-53.80
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012917102	0	57	0.0	-70.90	427.73	10.37	-60.53
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012917102	1	57	0.0	-71.72	428.23	10.36	-61.36
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012917103	0	52	0.0	-69.38	377.32	8.58	-60.80
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012917103	1	52	0.0	-65.23	377.26	8.58	-56.65
CCC[N@@H+]1CCCCC1CNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012917104	0	51	0.0	-74.06	367.97	5.67	-68.39
CCC[N@H+]1CCCCC1CNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012917104	1	51	0.0	-72.53	368.45	5.67	-66.86
CCC[N@@H+]1CCCCC1CNC(=O)N(C)C(COCC)C(=O)[O-]	REAL300012917105	0	54	0.0	-63.58	392.85	8.22	-55.36
CCC[N@H+]1CCCCC1CNC(=O)N(C)C(COCC)C(=O)[O-]	REAL300012917105	1	54	0.0	-67.17	388.30	7.45	-59.72
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012917106	0	53	0.0	-44.63	378.67	9.03	-35.60
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012917106	1	53	0.0	-50.54	378.92	9.26	-41.28
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C(CC)C1=CC=CC=C1	REAL300012917107	0	60	0.0	-47.77	431.53	12.73	-35.04
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C(CC)C1=CC=CC=C1	REAL300012917107	1	60	0.0	-54.88	430.53	11.69	-43.19
CCC[N@@H+]1CCCCC1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012917108	0	50	0.0	-45.89	382.39	9.10	-36.79
CCC[N@H+]1CCCCC1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012917108	1	50	0.0	-54.07	378.40	8.75	-45.32
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012917109	0	49	0.0	-69.36	351.19	4.55	-64.81
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012917109	1	49	0.0	-68.17	351.59	4.54	-63.63
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012917110	0	57	0.0	-72.18	399.04	8.32	-63.86
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012917110	1	57	0.0	-72.40	404.73	8.49	-63.91
CCC[N@@H+]1CCCCC1CNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012917111	0	58	0.0	-67.10	415.12	8.71	-58.39
CCC[N@H+]1CCCCC1CNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012917111	1	58	0.0	-63.63	414.97	8.98	-54.65
CCC[N@@H+]1CCCCC1CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012917112	0	58	0.0	-45.38	425.33	12.21	-33.17
CCC[N@H+]1CCCCC1CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012917112	1	58	0.0	-46.73	420.02	11.69	-35.04
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012917113	0	52	0.0	-73.73	366.91	5.76	-67.97
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012917113	1	52	0.0	-68.19	371.00	6.39	-61.80
C=CCCC(NC(=O)NCC1CCCC[N@H+]1CCC)C(=O)[O-]	REAL300012917114	0	51	0.0	-67.77	379.90	7.34	-60.43
C=CCCC(NC(=O)NCC1CCCC[N@@H+]1CCC)C(=O)[O-]	REAL300012917114	1	51	0.0	-65.38	378.90	7.56	-57.82
CCC[N@@H+]1CCCCC1CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012917115	0	57	0.0	-51.40	414.49	11.84	-39.56
CCC[N@H+]1CCCCC1CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012917115	1	57	0.0	-48.30	410.73	11.69	-36.61
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC)(CC)C(=O)[O-]	REAL300012917116	0	53	0.0	-66.81	370.92	7.95	-58.86
CCC[N@H+]1CCCCC1CNC(=O)NC(CC)(CC)C(=O)[O-]	REAL300012917116	1	53	0.0	-69.56	370.87	7.94	-61.62
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012917117	0	55	0.0	-70.05	411.59	7.38	-62.67
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012917117	1	55	0.0	-71.27	411.72	7.40	-63.87
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C(C)CC	REAL300012917118	0	53	0.0	-45.22	381.09	10.07	-35.15
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C(C)CC	REAL300012917118	1	53	0.0	-56.65	376.78	9.38	-47.27
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012917119	0	54	0.0	-72.90	384.63	6.58	-66.32
CCC[N@H+]1CCCCC1CNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012917119	1	54	0.0	-73.80	384.89	6.59	-67.21
CCC[N@@H+]1CCCCC1CNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012917120	0	57	0.0	-68.65	408.36	8.18	-60.47
CCC[N@H+]1CCCCC1CNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012917120	1	57	0.0	-67.57	408.58	8.20	-59.37
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012917121	0	54	0.0	-75.02	396.17	4.94	-70.08
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012917121	1	54	0.0	-73.70	392.12	4.21	-69.49
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012917122	0	51	0.0	-68.45	376.95	7.60	-60.85
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012917122	1	51	0.0	-70.95	378.20	7.46	-63.49
CCC[N@@H+]1CCCCC1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012917123	0	51	0.0	-68.70	378.50	5.23	-63.47
CCC[N@H+]1CCCCC1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012917123	1	51	0.0	-66.30	378.51	5.23	-61.07
CCC[N@@H+]1CCCCC1CNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012917124	0	56	0.0	-64.51	399.41	10.15	-54.36
CCC[N@H+]1CCCCC1CNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012917124	1	56	0.0	-66.86	394.93	9.42	-57.44
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012917125	0	47	0.0	-62.42	355.21	6.75	-55.67
CCC[N@H+]1CCCCC1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012917125	1	47	0.0	-70.35	358.18	6.37	-63.98
CCC[N@@H+]1CCCCC1CNC(=O)N1CCCC1(CCC)C(=O)[O-]	REAL300012917126	0	57	0.0	-74.31	398.79	10.30	-64.01
CCC[N@H+]1CCCCC1CNC(=O)N1CCCC1(CCC)C(=O)[O-]	REAL300012917126	1	57	0.0	-78.78	396.11	10.41	-68.37
CCCN(C(=O)NCC1CCCC[N@@H+]1CCC)C(C)C(=O)[O-]	REAL300012917127	0	53	0.0	-48.27	374.28	9.38	-38.89
CCCN(C(=O)NCC1CCCC[N@H+]1CCC)C(C)C(=O)[O-]	REAL300012917127	1	53	0.0	-38.28	378.25	10.01	-28.27
CCC[N@@H+]1CCCCC1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012917128	0	57	0.0	-36.50	417.22	12.33	-24.17
CCC[N@H+]1CCCCC1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012917128	1	57	0.0	-46.92	411.03	11.66	-35.26
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012917129	0	57	0.0	-69.34	423.24	10.28	-59.06
CCC[N@H+]1CCCCC1CNC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012917129	1	57	0.0	-67.84	423.76	10.29	-57.55
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300012917130	0	57	0.0	-72.39	406.56	9.76	-62.63
CCC[N@H+]1CCCCC1CNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300012917130	1	57	0.0	-72.90	406.92	9.74	-63.16
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012917131	0	61	0.0	-69.66	432.71	7.64	-62.02
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012917131	1	61	0.0	-69.19	431.01	7.74	-61.45
CCC[N@@H+]1CCCCC1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012917132	0	47	0.0	-67.09	351.18	6.37	-60.72
CCC[N@H+]1CCCCC1CNC(=O)NC(CCF)C(=O)[O-]	REAL300012917132	1	47	0.0	-69.97	352.66	6.16	-63.81
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012917133	0	58	0.0	-70.77	416.92	7.31	-63.46
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012917133	1	58	0.0	-69.88	415.88	7.51	-62.37
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012917134	0	55	0.0	-54.66	389.38	7.68	-46.98
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012917134	1	55	0.0	-57.47	388.31	7.71	-49.76
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012917135	0	57	0.0	-47.18	401.79	10.79	-36.39
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012917135	1	57	0.0	-54.46	402.10	10.72	-43.74
CCC[N@@H+]1CCCCC1CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012917136	0	57	0.0	-73.24	388.12	8.76	-64.48
CCC[N@H+]1CCCCC1CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012917136	1	57	0.0	-72.19	389.37	8.61	-63.58
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012917137	0	55	0.0	-71.21	410.48	7.53	-63.68
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012917137	1	55	0.0	-73.80	411.13	7.41	-66.39
CCC[N@@H+]1CCCCC1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012917138	0	50	0.0	-64.45	356.31	6.53	-57.92
CCC[N@H+]1CCCCC1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012917138	1	50	0.0	-65.31	356.80	6.53	-58.78
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012917139	0	52	0.0	-77.79	383.84	9.40	-68.39
CCC[N@H+]1CCCCC1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012917139	1	52	0.0	-50.86	383.76	9.36	-41.50
CCC[N@@H+]1CCCCC1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012917140	0	48	0.0	-69.45	362.67	8.48	-60.97
CCC[N@H+]1CCCCC1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012917140	1	48	0.0	-67.57	357.36	7.92	-59.65
CCC[N@@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012917141	0	55	0.0	-71.13	410.63	7.40	-63.73
CCC[N@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012917141	1	55	0.0	-74.32	411.73	7.38	-66.94
CCC[N@@H+]1CCCCC1CNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012917142	0	57	0.0	-77.19	409.72	9.97	-67.22
CCC[N@H+]1CCCCC1CNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012917142	1	57	0.0	-65.11	417.98	8.39	-56.72
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012917143	0	58	0.0	-68.19	433.23	8.40	-59.79
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012917143	1	58	0.0	-71.54	432.77	8.50	-63.04
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012917144	0	60	0.0	-73.23	403.45	9.15	-64.08
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012917144	1	60	0.0	-74.99	402.77	9.04	-65.95
CCC[N@@H+]1CCCCC1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012917145	0	49	0.0	-78.47	349.95	8.57	-69.90
CCC[N@H+]1CCCCC1CNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012917145	1	49	0.0	-80.34	351.79	8.51	-71.83
CCC[N@@H+]1CCCCC1CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012917146	0	57	0.0	-66.73	423.82	9.74	-56.99
CCC[N@H+]1CCCCC1CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012917146	1	57	0.0	-69.71	424.31	9.75	-59.96
CCC[N@@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012917147	0	56	0.0	-74.22	418.05	9.57	-64.65
CCC[N@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012917147	1	56	0.0	-71.91	418.34	9.50	-62.41
CCC[N@@H+]1CCCCC1CNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012917148	0	55	0.0	-73.68	394.74	7.42	-66.26
CCC[N@H+]1CCCCC1CNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012917148	1	55	0.0	-74.72	395.17	7.45	-67.27
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012917149	0	58	0.0	-66.06	416.23	7.01	-59.05
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012917149	1	58	0.0	-70.21	417.22	6.92	-63.29
CCC[N@@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012917150	0	53	0.0	-65.83	379.29	7.82	-58.01
CCC[N@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012917150	1	53	0.0	-70.02	380.86	7.80	-62.22
C=C(Cl)CC(NC(=O)NCC1CCCC[N@H+]1CCC)C(=O)[O-]	REAL300012917151	0	48	0.0	-63.51	373.30	7.29	-56.22
C=C(Cl)CC(NC(=O)NCC1CCCC[N@@H+]1CCC)C(=O)[O-]	REAL300012917151	1	48	0.0	-65.22	374.50	7.14	-58.08
C=C(C)CC(NC(=O)NCC1CCCC[N@H+]1CCC)C(=O)[O-]	REAL300012917152	0	51	0.0	-67.38	378.34	7.21	-60.17
C=C(C)CC(NC(=O)NCC1CCCC[N@@H+]1CCC)C(=O)[O-]	REAL300012917152	1	51	0.0	-68.46	378.69	7.36	-61.10
CCC[N@@H+]1CCCCC1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012917153	0	52	0.0	-82.81	367.67	9.24	-73.57
CCC[N@H+]1CCCCC1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012917153	1	52	0.0	-83.82	365.40	9.54	-74.28
CCC[N@@H+]1CCCCC1CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012917154	0	57	0.0	-67.30	413.48	9.28	-58.02
CCC[N@H+]1CCCCC1CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012917154	1	57	0.0	-70.33	413.99	9.29	-61.04
CCC[N@@H+]1CCCCC1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012917155	0	48	0.0	-65.65	361.79	8.76	-56.89
CCC[N@H+]1CCCCC1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012917155	1	48	0.0	-68.71	356.57	8.26	-60.45
CCC[N@@H+]1CCCCC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012917156	0	48	0.0	-68.97	355.27	8.69	-60.28
CCC[N@H+]1CCCCC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012917156	1	48	0.0	-73.31	355.30	8.67	-64.64
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC[N@H+]2CCC)C1	REAL300012917157	0	49	0.0	-72.87	363.12	8.67	-64.20
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC[N@@H+]2CCC)C1	REAL300012917157	1	49	0.0	-76.99	359.04	7.99	-69.00
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012917158	0	58	0.0	-67.81	412.59	7.55	-60.26
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012917158	1	58	0.0	-70.98	413.07	7.56	-63.42
CCC[N@@H+]1CCCCC1CNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012917159	0	53	0.0	-65.69	387.98	8.01	-57.68
CCC[N@H+]1CCCCC1CNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012917159	1	53	0.0	-71.33	384.77	7.33	-64.00
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012917160	0	55	0.0	-65.50	391.92	6.17	-59.33
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012917160	1	55	0.0	-68.80	388.76	6.03	-62.77
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012917161	0	51	0.0	-69.50	381.50	8.13	-61.37
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012917161	1	51	0.0	-70.27	382.25	8.09	-62.18
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012917162	0	51	0.0	-68.45	376.95	7.60	-60.85
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012917162	1	51	0.0	-70.95	378.20	7.46	-63.49
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012917163	0	50	0.0	-67.12	390.57	6.19	-60.93
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012917163	1	50	0.0	-69.78	391.24	6.17	-63.61
CCC[N@@H+]1CCCCC1CNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012917164	0	59	0.0	-67.53	427.40	8.92	-58.61
CCC[N@H+]1CCCCC1CNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012917164	1	59	0.0	-70.47	427.89	8.93	-61.54
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012917165	0	57	0.0	-69.72	434.02	9.50	-60.22
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012917165	1	57	0.0	-68.76	434.36	9.44	-59.32
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012917166	0	55	0.0	-67.15	399.92	6.97	-60.18
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012917166	1	55	0.0	-70.81	400.30	6.92	-63.89
CCC[N@@H+]1CCCCC1CNC(=O)NC(CSC)C(=O)[O-]	REAL300012917167	0	48	0.0	-65.12	368.53	6.52	-58.60
CCC[N@H+]1CCCCC1CNC(=O)NC(CSC)C(=O)[O-]	REAL300012917167	1	48	0.0	-64.19	367.63	6.62	-57.57
CCC[N@@H+]1CCCCC1CNC(=O)N[C@@H](COC)C(=O)[O-]	REAL300012917168	0	48	0.0	-67.33	361.97	4.93	-62.40
CCC[N@H+]1CCCCC1CNC(=O)N[C@@H](COC)C(=O)[O-]	REAL300012917168	1	48	0.0	-69.33	356.70	4.41	-64.92
CCC[N@@H+]1CCCCC1CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012917169	0	54	0.0	-68.88	414.71	9.84	-59.04
CCC[N@H+]1CCCCC1CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012917169	1	54	0.0	-68.83	410.91	9.11	-59.72
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300012917170	0	56	0.0	-69.16	401.89	8.13	-61.03
CCC[N@H+]1CCCCC1CNC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300012917170	1	56	0.0	-68.10	400.94	8.14	-59.96
C=CCCCC(NC(=O)NCC1CCCC[N@H+]1CCC)C(=O)[O-]	REAL300012917171	0	54	0.0	-67.09	401.15	8.18	-58.91
C=CCCCC(NC(=O)NCC1CCCC[N@@H+]1CCC)C(=O)[O-]	REAL300012917171	1	54	0.0	-70.47	401.88	8.14	-62.33
CCC[N@@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012917172	0	54	0.0	-67.40	410.12	9.16	-58.24
CCC[N@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012917172	1	54	0.0	-69.80	410.02	9.11	-60.69
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012917173	0	57	0.0	-76.29	422.96	10.23	-66.06
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012917173	1	57	0.0	-72.95	422.53	10.20	-62.75
CCC[N@@H+]1CCCCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012917174	0	49	0.0	-65.73	368.42	8.43	-57.30
CCC[N@H+]1CCCCC1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012917174	1	49	0.0	-77.45	356.18	9.21	-68.24
CCC[N@@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012917175	0	54	0.0	-72.20	389.85	8.89	-63.31
CCC[N@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012917175	1	54	0.0	-71.61	389.61	8.83	-62.78
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012917176	0	52	0.0	-80.51	366.20	9.48	-71.03
CCC[N@H+]1CCCCC1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012917176	1	52	0.0	-80.91	370.49	10.13	-70.78
CCC[N@@H+]1CCCCC1CNC(=O)N(CC)C(C)(C)C(=O)[O-]	REAL300012917177	0	53	0.0	-70.60	370.38	8.76	-61.84
CCC[N@H+]1CCCCC1CNC(=O)N(CC)C(C)(C)C(=O)[O-]	REAL300012917177	1	53	0.0	-69.66	369.56	8.95	-60.71
CCCN(C(=O)NCC1CCCC[N@@H+]1CCC)C(C)C(=O)[O-]	REAL300012917178	0	53	0.0	-48.27	374.28	9.38	-38.89
CCCN(C(=O)NCC1CCCC[N@H+]1CCC)C(C)C(=O)[O-]	REAL300012917178	1	53	0.0	-38.28	378.25	10.01	-28.27
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012917179	0	47	0.0	-70.02	352.03	8.08	-61.94
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012917179	1	47	0.0	-66.06	357.88	8.32	-57.74
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012917180	0	47	0.0	-70.02	352.03	8.08	-61.94
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012917180	1	47	0.0	-66.06	357.88	8.32	-57.74
CCC[N@@H+]1CCCCC1CNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012917181	0	60	0.0	-56.88	431.84	6.36	-50.52
CCC[N@H+]1CCCCC1CNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012917181	1	60	0.0	-55.91	427.96	5.91	-50.00
CCC[N@@H+]1CCCCC1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012917182	0	49	0.0	-78.61	360.95	4.90	-73.71
CCC[N@H+]1CCCCC1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012917182	1	49	0.0	-75.13	360.96	4.91	-70.22
CCC[N@@H+]1CCCCC1CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012917183	1	64	0.0	-58.52	457.04	6.17	-52.35
CCC[N@H+]1CCCCC1CNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-]	REAL300012917183	1	64	0.0	-58.23	457.53	6.18	-52.05
CCC[N@@H+]1CCCCC1CNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012917184	0	55	0.0	-79.08	397.76	10.96	-68.12
CCC[N@H+]1CCCCC1CNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012917184	1	55	0.0	-76.53	396.92	11.56	-64.97
CCC[N@@H+]1CCCCC1CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012917185	0	58	0.0	-54.97	413.06	11.77	-43.20
CCC[N@H+]1CCCCC1CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012917185	1	58	0.0	-57.70	413.03	11.86	-45.84
CCC[N@@H+]1CCCCC1CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012917186	0	56	0.0	-67.57	405.85	9.91	-57.66
CCC[N@H+]1CCCCC1CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012917186	1	56	0.0	-67.45	405.88	9.93	-57.52
CCC[N@@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012917187	0	51	0.0	-71.06	381.47	8.16	-62.90
CCC[N@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012917187	1	51	0.0	-70.17	382.25	8.09	-62.08
CCC[N@@H+]1CCCCC1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012917188	0	56	0.0	-71.00	421.11	8.19	-62.81
CCC[N@H+]1CCCCC1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012917188	1	56	0.0	-71.05	421.12	8.19	-62.86
C=CCCC(NC(=O)NCC1CCCC[N@H+]1CCC)C(=O)[O-]	REAL300012917189	0	51	0.0	-67.77	379.90	7.34	-60.43
C=CCCC(NC(=O)NCC1CCCC[N@@H+]1CCC)C(=O)[O-]	REAL300012917189	1	51	0.0	-65.38	378.90	7.56	-57.82
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012917190	0	50	0.0	-73.45	390.44	6.04	-67.41
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012917190	1	50	0.0	-68.06	391.03	6.09	-61.97
CCC[N@@H+]1CCCCC1CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012917191	0	51	0.0	-64.84	410.05	7.84	-57.00
CCC[N@H+]1CCCCC1CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012917191	1	51	0.0	-64.56	408.47	8.00	-56.56
CCC[N@@H+]1CCCCC1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012917192	0	51	0.0	-84.99	379.42	6.18	-78.81
CCC[N@H+]1CCCCC1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012917192	1	51	0.0	-85.69	375.03	5.51	-80.18
CCC[N@@H+]1CCCCC1CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012917193	0	52	0.0	-67.53	376.52	7.84	-59.69
CCC[N@H+]1CCCCC1CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012917193	1	52	0.0	-68.04	377.19	7.96	-60.08
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012917194	0	51	0.0	-75.42	365.91	9.13	-66.29
CCC[N@H+]1CCCCC1CNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012917194	1	51	0.0	-74.44	361.95	8.47	-65.97
CCC[N@@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012917195	0	51	0.0	-66.65	385.64	8.80	-57.85
CCC[N@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012917195	1	51	0.0	-72.00	382.23	8.10	-63.90
CCC[N@@H+]1CCCCC1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012917196	0	54	0.0	-68.13	395.66	7.45	-60.68
CCC[N@H+]1CCCCC1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012917196	1	54	0.0	-70.12	390.44	7.58	-62.54
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012917197	0	54	0.0	-46.81	384.39	10.08	-36.73
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012917197	1	54	0.0	-54.04	383.95	9.97	-44.07
CCC[N@@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300012917198	0	53	0.0	-65.69	379.70	7.64	-58.05
CCC[N@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300012917198	1	53	0.0	-70.58	375.66	6.97	-63.61
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012917199	0	52	0.0	-70.33	383.30	4.68	-65.65
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012917199	1	52	0.0	-74.72	381.75	4.58	-70.14
CCC[N@@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012917200	0	60	0.0	-67.32	432.45	8.01	-59.31
CCC[N@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012917200	1	60	0.0	-70.01	432.38	8.01	-62.00
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012917201	0	54	0.0	-71.77	380.68	7.73	-64.04
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012917201	1	54	0.0	-71.87	381.23	7.73	-64.14
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012917202	0	57	0.0	-70.20	390.40	8.61	-61.59
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012917202	1	57	0.0	-74.88	389.94	8.36	-66.52
CCC[N@@H+]1CCCCC1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012917203	0	51	0.0	-68.70	378.50	5.23	-63.47
CCC[N@H+]1CCCCC1CNC(=O)NC(CCOC)C(=O)[O-]	REAL300012917203	1	51	0.0	-66.30	378.51	5.23	-61.07
CCC[N@@H+]1CCCCC1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012917204	0	57	0.0	-70.95	414.63	10.98	-59.97
CCC[N@H+]1CCCCC1CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012917204	1	57	0.0	-69.67	413.80	11.15	-58.52
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012917205	0	54	0.0	-75.65	383.29	8.45	-67.20
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012917205	1	54	0.0	-72.83	383.23	8.40	-64.43
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012917206	0	61	0.0	-75.19	430.67	10.45	-64.74
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012917206	1	61	0.0	-76.33	430.79	10.43	-65.90
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012917207	0	51	0.0	-71.34	373.66	8.05	-63.29
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012917207	1	51	0.0	-68.58	368.41	7.53	-61.05
CCC[N@@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012917208	0	60	0.0	-70.96	434.04	7.93	-63.03
CCC[N@H+]1CCCCC1CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012917208	1	60	0.0	-70.79	429.99	7.30	-63.49
CCC[N@@H+]1CCCCC1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012917209	0	49	0.0	-81.22	359.49	5.08	-76.14
CCC[N@H+]1CCCCC1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012917209	1	49	0.0	-76.97	359.52	5.09	-71.88
CCC[N@@H+]1CCCCC1CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012917210	0	59	0.0	-53.58	423.11	11.77	-41.81
CCC[N@H+]1CCCCC1CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012917210	1	59	0.0	-51.26	428.39	12.31	-38.95
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012917211	0	52	0.0	-71.89	371.62	5.10	-66.79
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012917211	1	52	0.0	-67.24	381.23	5.25	-61.99
CCC[N@@H+]1CCCCC1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012917212	0	52	0.0	-77.92	366.08	9.06	-68.86
CCC[N@H+]1CCCCC1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012917212	1	52	0.0	-80.51	367.22	9.09	-71.42
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012917213	0	55	0.0	-75.31	413.12	8.31	-67.00
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012917213	1	55	0.0	-78.24	413.75	8.17	-70.07
CCC[N@@H+]1CCCCC1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012917214	0	50	0.0	-76.50	359.14	6.85	-69.65
CCC[N@H+]1CCCCC1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012917214	1	50	0.0	-76.18	358.38	6.77	-69.41
CCC[N@@H+]1CCCCC1CNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012917215	0	54	0.0	-77.37	380.74	10.38	-66.99
CCC[N@H+]1CCCCC1CNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012917215	1	54	0.0	-76.64	375.66	10.43	-66.21
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012917216	0	57	0.0	-72.28	411.82	9.11	-63.17
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012917216	1	57	0.0	-70.06	421.22	9.45	-60.61
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012917217	0	58	0.0	-70.76	418.24	9.15	-61.61
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012917217	1	58	0.0	-66.01	417.25	9.38	-56.63
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012917218	0	51	0.0	-70.69	370.46	7.06	-63.63
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012917218	1	51	0.0	-66.12	364.51	7.14	-58.98
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012917219	0	64	0.0	-73.84	438.33	8.75	-65.09
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012917219	1	64	0.0	-73.50	438.78	8.77	-64.73
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012917220	0	57	0.0	-72.18	399.04	8.32	-63.86
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012917220	1	57	0.0	-72.40	404.73	8.49	-63.91
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012917221	0	51	0.0	-70.69	370.46	7.06	-63.63
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012917221	1	51	0.0	-66.12	364.51	7.14	-58.98
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012917222	0	51	0.0	-73.52	369.45	9.20	-64.32
CCC[N@H+]1CCCCC1CNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012917222	1	51	0.0	-76.53	358.58	8.47	-68.06
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012917223	0	58	0.0	-71.77	419.79	7.20	-64.57
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012917223	1	58	0.0	-74.64	420.28	7.20	-67.44
CCC[N@@H+]1CCCCC1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012917224	0	58	0.0	-44.02	395.60	10.45	-33.57
CCC[N@H+]1CCCCC1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012917224	1	58	0.0	-38.06	395.33	10.32	-27.74
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012917225	0	58	0.0	-74.31	395.56	7.01	-67.30
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012917225	1	58	0.0	-71.55	395.33	6.97	-64.58
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012917226	0	58	0.0	-85.17	408.69	11.69	-73.48
CCC[N@H+]1CCCCC1CNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012917226	1	58	0.0	-56.02	421.30	10.59	-45.43
CCC[N@@H+]1CCCCC1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012917227	0	52	0.0	-48.34	372.76	9.63	-38.71
CCC[N@H+]1CCCCC1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012917227	1	52	0.0	-39.96	370.85	9.68	-30.28
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012917228	0	58	0.0	-70.76	418.24	9.15	-61.61
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012917228	1	58	0.0	-66.01	417.25	9.38	-56.63
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012917229	0	54	0.0	-65.75	410.13	9.16	-56.59
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012917229	1	54	0.0	-69.78	409.43	9.32	-60.46
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012917230	0	52	0.0	-72.70	384.52	6.35	-66.35
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012917230	1	52	0.0	-65.88	382.93	6.26	-59.62
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012917231	0	48	0.0	-72.26	354.66	6.90	-65.36
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012917231	1	48	0.0	-68.74	359.61	7.43	-61.31
CCC[N@@H+]1CCCCC1CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012917232	0	52	0.0	-69.22	382.75	6.30	-62.92
CCC[N@H+]1CCCCC1CNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012917232	1	52	0.0	-67.43	377.42	5.75	-61.68
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012917233	0	51	0.0	-64.13	392.50	8.44	-55.69
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012917233	1	51	0.0	-69.87	384.93	7.93	-61.94
CCC[N@@H+]1CCCCC1CNC(=O)N1CCCC1(CC)C(=O)[O-]	REAL300012917234	0	54	0.0	-78.42	374.24	9.46	-68.96
CCC[N@H+]1CCCCC1CNC(=O)N1CCCC1(CC)C(=O)[O-]	REAL300012917234	1	54	0.0	-76.53	376.45	9.81	-66.72
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012917235	0	47	0.0	-62.96	361.52	6.71	-56.25
CCC[N@H+]1CCCCC1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012917235	1	47	0.0	-60.66	360.77	6.86	-53.80
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012917236	0	55	0.0	-66.71	395.16	6.75	-59.96
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012917236	1	55	0.0	-70.98	400.94	6.08	-64.90
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012917237	0	51	0.0	-69.53	395.44	8.12	-61.41
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012917237	1	51	0.0	-69.59	394.30	8.26	-61.33
CCC[N@@H+]1CCCCC1CNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012917238	0	58	0.0	-66.83	427.11	8.76	-58.07
CCC[N@H+]1CCCCC1CNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012917238	1	58	0.0	-71.05	423.03	8.06	-62.99
CCC[N@@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012917239	0	53	0.0	-70.65	366.46	7.08	-63.57
CCC[N@H+]1CCCCC1CNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012917239	1	53	0.0	-70.85	365.12	7.02	-63.83
CCC[N@@H+]1CCCCC1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012917240	0	49	0.0	-79.56	350.86	9.26	-70.30
CCC[N@H+]1CCCCC1CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012917240	1	49	0.0	-79.14	350.92	9.28	-69.86
CCC[N@@H+]1CCCCC1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012917241	0	52	0.0	-78.06	367.65	8.68	-69.38
CCC[N@H+]1CCCCC1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012917241	1	52	0.0	-74.54	372.23	9.38	-65.16
CCC[N@@H+]1CCCCC1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012917242	0	57	0.0	-36.50	417.22	12.33	-24.17
CCC[N@H+]1CCCCC1CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012917242	1	57	0.0	-46.92	411.03	11.66	-35.26
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012917243	0	60	0.0	-71.65	426.31	9.24	-62.41
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012917243	1	60	0.0	-68.22	425.72	9.28	-58.94
CCC[N@@H+]1CCCCC1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012917244	0	57	0.0	-69.15	426.99	9.81	-59.34
CCC[N@H+]1CCCCC1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012917244	1	57	0.0	-71.46	426.65	9.83	-61.63
CCC[N@@H+]1CCCCC1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012917245	0	57	0.0	-71.52	426.99	9.81	-61.71
CCC[N@H+]1CCCCC1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012917245	1	57	0.0	-70.05	427.48	9.81	-60.24
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012917246	0	58	0.0	-67.82	408.83	9.07	-58.75
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012917246	1	58	0.0	-72.70	404.40	8.74	-63.96
CCC[N@@H+]1CCCCC1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012917247	0	60	0.0	-69.49	430.25	10.00	-59.49
CCC[N@H+]1CCCCC1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012917247	1	60	0.0	-68.74	425.89	9.23	-59.51
CCC[N@@H+]1CCCCC1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012917248	0	60	0.0	-66.88	430.44	9.90	-56.98
CCC[N@H+]1CCCCC1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012917248	1	60	0.0	-71.11	425.88	9.25	-61.86
CCC[N@@H+]1CCCCC1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012917249	0	58	0.0	-49.46	407.59	9.95	-39.51
CCC[N@H+]1CCCCC1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012917249	1	58	0.0	-54.05	408.93	9.86	-44.19
CCC[N@@H+]1CCCCC1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012917250	0	58	0.0	-78.20	408.63	10.51	-67.69
CCC[N@H+]1CCCCC1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012917250	1	58	0.0	-76.09	404.11	9.82	-66.27
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012917251	0	58	0.0	-67.64	437.96	9.02	-58.62
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012917251	1	58	0.0	-71.15	433.10	8.35	-62.80
C=CCSCC(NC(=O)NCC1CCCC[N@H+]1CCC)C(=O)[O-]	REAL300012917252	0	52	0.0	-64.91	402.65	7.91	-57.00
C=CCSCC(NC(=O)NCC1CCCC[N@@H+]1CCC)C(=O)[O-]	REAL300012917252	1	52	0.0	-66.06	403.80	7.89	-58.17
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012917253	0	55	0.0	-69.14	424.33	9.44	-59.70
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012917253	1	55	0.0	-69.45	425.08	9.49	-59.96
CCC[N@@H+]1CCCCC1CNC(=O)N(CC)C(CC)C(=O)[O-]	REAL300012917254	0	53	0.0	-66.60	374.31	9.40	-57.20
CCC[N@H+]1CCCCC1CNC(=O)N(CC)C(CC)C(=O)[O-]	REAL300012917254	1	53	0.0	-66.55	370.26	8.72	-57.83
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012917255	0	55	0.0	-64.94	392.66	5.64	-59.30
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012917255	1	55	0.0	-65.39	391.57	5.79	-59.60
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012917256	0	57	0.0	-75.05	412.04	9.75	-65.30
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012917256	1	57	0.0	-71.86	407.50	9.03	-62.83
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012917257	0	58	0.0	-72.85	417.54	10.85	-62.00
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012917257	1	58	0.0	-72.40	413.54	10.16	-62.24
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012917258	0	51	0.0	-65.92	384.99	8.30	-57.62
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012917258	1	51	0.0	-72.53	383.04	8.25	-64.28
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012917260	0	63	0.0	-70.78	457.71	10.49	-60.29
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012917260	1	63	0.0	-69.89	458.46	10.42	-59.47
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012917261	0	60	0.0	-71.63	442.38	10.02	-61.61
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012917261	1	60	0.0	-69.36	442.24	10.11	-59.25
CCC[N@@H+]1CCCCC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012917262	0	48	0.0	-68.97	355.27	8.69	-60.28
CCC[N@H+]1CCCCC1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012917262	1	48	0.0	-73.31	355.30	8.67	-64.64
CCC[N@@H+]1CCCCC1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012917263	0	50	0.0	-48.06	363.55	9.50	-38.56
CCC[N@H+]1CCCCC1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012917263	1	50	0.0	-51.83	365.30	9.34	-42.49
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012917264	0	54	0.0	-75.55	377.18	8.90	-66.65
CCC[N@H+]1CCCCC1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012917264	1	54	0.0	-76.52	380.95	8.56	-67.96
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OCC)C=C1	REAL300012917265	0	58	0.0	-71.02	433.10	8.31	-62.71
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1=CC=C(OCC)C=C1	REAL300012917265	1	58	0.0	-69.76	433.60	8.32	-61.44
CCC[N@@H+]1CCCCC1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012917266	0	58	0.0	-79.31	400.63	11.04	-68.27
CCC[N@H+]1CCCCC1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012917266	1	58	0.0	-53.56	412.88	10.04	-43.52
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012917267	0	58	0.0	-68.74	421.00	10.31	-58.43
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012917267	1	58	0.0	-69.25	422.69	9.98	-59.27
CCC[N@@H+]1CCCCC1CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012917268	0	58	0.0	-73.65	424.18	9.13	-64.52
CCC[N@H+]1CCCCC1CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012917268	1	58	0.0	-74.50	424.67	9.13	-65.37
CCC[N@@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012917269	0	54	0.0	-71.94	417.74	9.08	-62.86
CCC[N@H+]1CCCCC1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012917269	1	54	0.0	-73.16	421.62	9.70	-63.46
CCC[N@@H+]1CCCCC1CNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012917270	0	56	0.0	-67.67	405.91	8.14	-59.53
CCC[N@H+]1CCCCC1CNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012917270	1	56	0.0	-71.06	406.64	8.08	-62.98
CCC[N@@H+]1CCCCC1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012917271	0	55	0.0	-42.57	397.25	9.99	-32.58
CCC[N@H+]1CCCCC1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012917271	1	55	0.0	-49.88	392.38	9.38	-40.50
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012917272	0	55	0.0	-66.71	395.16	6.75	-59.96
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012917272	1	55	0.0	-70.98	400.94	6.08	-64.90
CCC[N@@H+]1CCCCC1CNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012917273	0	52	0.0	-73.10	387.93	9.09	-64.01
CCC[N@H+]1CCCCC1CNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012917273	1	52	0.0	-73.22	391.91	9.76	-63.46
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012917274	0	55	0.0	-70.58	383.56	8.60	-61.98
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012917274	1	55	0.0	-75.11	380.17	9.02	-66.09
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012917275	0	52	0.0	-72.89	368.23	7.96	-64.93
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012917275	1	52	0.0	-70.35	368.43	7.91	-62.44
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012917276	0	55	0.0	-73.68	389.85	8.37	-65.31
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012917276	1	55	0.0	-69.66	393.90	9.04	-60.62
CCC[N@@H+]1CCCCC1CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012917277	0	57	0.0	-68.44	411.83	11.09	-57.35
CCC[N@H+]1CCCCC1CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012917277	1	57	0.0	-69.52	415.05	10.99	-58.53
CCC[N@@H+]1CCCCC1CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012917278	0	61	0.0	-51.30	426.45	10.92	-40.38
CCC[N@H+]1CCCCC1CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012917278	1	61	0.0	-51.75	427.03	10.91	-40.84
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012917279	0	54	0.0	-71.58	382.20	7.62	-63.96
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012917279	1	54	0.0	-72.19	387.39	7.69	-64.50
CCC[N@@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012917280	0	51	0.0	-66.32	379.63	5.94	-60.38
CCC[N@H+]1CCCCC1CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012917280	1	51	0.0	-72.28	376.08	5.27	-67.01
CCC[N@@H+]1CCCCC1CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012917281	0	51	0.0	-76.15	368.64	7.75	-68.40
CCC[N@H+]1CCCCC1CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012917281	1	51	0.0	-72.00	358.98	7.42	-64.58
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012917282	0	54	0.0	-57.64	402.46	10.81	-46.83
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012917282	1	54	0.0	-51.54	401.77	10.74	-40.80
CCC[N@@H+]1CCCCC1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012917283	0	54	0.0	-52.09	385.66	8.59	-43.50
CCC[N@H+]1CCCCC1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012917283	1	54	0.0	-54.00	385.62	8.69	-45.31
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012917284	0	55	0.0	-67.88	413.25	11.21	-56.67
CCC[N@H+]1CCCCC1CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012917284	1	55	0.0	-62.00	413.23	11.21	-50.79
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012917285	0	51	0.0	-76.83	371.70	9.96	-66.87
CCC[N@H+]1CCCCC1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012917285	1	51	0.0	-76.03	366.65	9.08	-66.95
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012917286	0	48	0.0	-80.56	356.89	7.75	-72.81
CCC[N@H+]1CCCCC1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012917286	1	48	0.0	-80.57	356.47	8.07	-72.50
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012917287	0	54	0.0	-65.75	410.13	9.16	-56.59
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012917287	1	54	0.0	-69.78	409.43	9.32	-60.46
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012917288	0	51	0.0	-70.43	394.84	7.96	-62.47
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012917288	1	51	0.0	-69.11	395.14	8.01	-61.10
CCC[N@@H+]1CCCCC1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012917289	0	51	0.0	-65.07	377.99	9.27	-55.80
CCC[N@H+]1CCCCC1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012917289	1	51	0.0	-74.30	373.16	8.86	-65.44
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012917290	0	55	0.0	-70.43	413.34	9.42	-61.01
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012917290	1	55	0.0	-70.46	413.25	9.44	-61.02
CCC[N@@H+]1CCCCC1CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012917291	0	59	0.0	-73.45	433.09	10.42	-63.03
CCC[N@H+]1CCCCC1CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012917291	1	59	0.0	-74.66	431.83	10.55	-64.11
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012917292	0	51	0.0	-70.43	394.84	7.96	-62.47
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012917292	1	51	0.0	-69.11	395.14	8.01	-61.10
CCC[N@@H+]1CCCCC1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012917293	0	55	0.0	-78.44	387.88	9.70	-68.74
CCC[N@H+]1CCCCC1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012917293	1	55	0.0	-74.29	386.47	9.74	-64.55
CCC[N@@H+]1CCCCC1CNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012917294	0	54	0.0	-67.68	400.76	5.84	-61.84
CCC[N@H+]1CCCCC1CNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012917294	1	54	0.0	-70.23	401.24	5.86	-64.37
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@@H+]1CCC	REAL300012917295	0	53	0.0	-62.60	377.82	9.08	-53.52
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCCC[N@H+]1CCC	REAL300012917295	1	53	0.0	-68.20	377.52	8.76	-59.44
CCC[N@@H+]1CCCCC1CNC(=O)NC(COCC)C(=O)[O-]	REAL300012917296	0	51	0.0	-69.83	379.30	5.22	-64.61
CCC[N@H+]1CCCCC1CNC(=O)NC(COCC)C(=O)[O-]	REAL300012917296	1	51	0.0	-70.63	379.78	5.24	-65.39
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012917297	0	56	0.0	-71.69	396.21	8.37	-63.32
CCC[N@H+]1CCCCC1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012917297	1	56	0.0	-69.56	396.80	8.44	-61.12
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012917298	0	55	0.0	-70.90	396.83	6.57	-64.33
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012917298	1	55	0.0	-70.92	394.80	6.18	-64.74
CCC[N@@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012917299	0	55	0.0	-71.74	405.55	10.07	-61.67
CCC[N@H+]1CCCCC1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012917299	1	55	0.0	-68.82	405.56	10.08	-58.74
CCC[N@@H+]1CCCCC1CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012917300	0	52	0.0	-76.19	367.23	7.47	-68.72
CCC[N@H+]1CCCCC1CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012917300	1	52	0.0	-75.77	371.53	8.18	-67.59
CCC[N@@H+]1CCCCC1CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012917301	0	54	0.0	-72.96	387.50	8.92	-64.04
CCC[N@H+]1CCCCC1CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012917301	1	54	0.0	-67.31	391.54	9.61	-57.70
CCC[N@@H+]1CCCCC1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012917302	0	48	0.0	-68.04	365.65	6.67	-61.37
CCC[N@H+]1CCCCC1CNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012917302	1	48	0.0	-72.34	366.71	6.58	-65.76
CCC[N@@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012917303	0	65	0.0	-67.85	440.99	10.79	-57.06
CCC[N@H+]1CCCCC1CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012917303	1	65	0.0	-69.94	436.69	10.34	-59.60
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012917304	0	57	0.0	-74.93	434.06	9.34	-65.59
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012917304	1	57	0.0	-72.09	429.90	9.30	-62.79
CCC[N@@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012917305	0	51	0.0	-49.19	388.75	9.66	-39.53
CCC[N@H+]1CCCCC1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012917305	1	51	0.0	-51.27	383.43	9.13	-42.14
CCC[N@@H+]1CCCCC1CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012917306	0	62	0.0	-51.35	432.21	8.93	-42.42
CCC[N@H+]1CCCCC1CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012917306	1	62	0.0	-52.67	431.82	8.82	-43.85
CCC[N@@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012917307	0	53	0.0	-69.68	415.82	7.69	-61.99
CCC[N@H+]1CCCCC1CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012917307	1	53	0.0	-70.05	416.08	7.75	-62.30
CCC[N@@H+]1CCCCC1CNC(=O)N1C[C@H](OCC)C[C@H]1C(=O)[O-]	REAL300012917308	0	55	0.0	-71.75	399.15	7.97	-63.78
CCC[N@H+]1CCCCC1CNC(=O)N1C[C@H](OCC)C[C@H]1C(=O)[O-]	REAL300012917308	1	55	0.0	-72.34	403.26	8.64	-63.70
CC1=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=NN1CC(C)C	REAL300012917487	0	62	0.0	-67.06	474.25	8.05	-59.01
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=NC(Cl)=C2F)CC1	REAL300012917795	0	49	0.0	-69.12	408.16	6.10	-63.02
CCC1(C)CCC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])O1	REAL300012918323	0	60	0.0	-67.60	446.39	6.77	-60.83
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CN(C3CC3)C2=O)CC1	REAL300012918604	0	58	0.0	-67.48	446.52	6.57	-60.91
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3(C2)OCCO3)CC1	REAL300012918901	0	59	0.0	-63.77	443.89	5.89	-57.88
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3(CCC3)CC2)CC1	REAL300012919161	0	60	0.0	-62.64	437.45	8.77	-53.87
CCC1(C)CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012919364	0	56	0.0	-58.70	410.48	7.32	-51.38
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3CCCC(C3)C2)CC1	REAL300012920036	0	60	0.0	-63.58	425.37	8.39	-55.19
CC(CCC1=CC=NC=C1)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012920592	0	58	0.0	-60.36	443.60	7.97	-52.39
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CSN=C2)CC1	REAL300012920806	0	46	0.0	-61.98	375.69	5.04	-56.94
CC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1O	REAL300012921178	0	54	0.0	-64.53	422.28	5.31	-59.22
C[C@@H]1CCO[C@@H]1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012921614	0	54	0.0	-63.48	402.69	5.03	-58.45
CN1CC(C)(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1=O	REAL300012922027	0	54	0.0	-72.00	411.69	4.55	-67.45
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3(CC2)COCCO3)CC1	REAL300012922600	0	62	0.0	-61.18	447.08	5.91	-55.27
COCC1=NOC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012923553	0	53	0.0	-62.61	421.03	4.69	-57.92
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC(C#N)(C3=CC=CC=C3)C2)CC1	REAL300012923855	0	58	0.0	-67.25	447.03	9.34	-57.91
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3CC2CC3(F)F)CC1	REAL300012924412	0	54	0.0	-61.16	408.30	7.49	-53.67
CC(C)N1C=CC(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012924700	0	59	0.0	-69.18	453.81	7.39	-61.79
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2COC3CCCCC23)CC1	REAL300012924955	0	58	0.0	-60.19	418.19	6.29	-53.90
CC(C)[C@H]1CC[C@H](NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012925420	0	62	0.0	-59.46	443.05	8.42	-51.04
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2=CN(C3CCNC3=O)N=C2)CC1	REAL300012925997	0	55	0.0	-71.49	428.91	3.37	-68.12
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=NN(C)C=C1	REAL300012926373	0	56	0.0	-67.98	428.44	6.25	-61.73
COC1=CN=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012926616	0	53	0.0	-64.61	414.78	4.95	-59.66
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC(CF)C2=CC=C(C#N)C=C2)CC1	REAL300012926911	0	54	0.0	-62.34	427.90	8.44	-53.90
CCC(CC)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012927117	0	55	0.0	-58.52	398.98	6.90	-51.62
CC(C)N1CC(C)(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1=O	REAL300012927339	0	60	0.0	-64.44	454.38	6.45	-57.99
CC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1Cl	REAL300012927838	0	53	0.0	-62.27	426.65	8.51	-53.76
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC(C)(C)OC(C)(C)C2)CC1	REAL300012928147	0	66	0.0	-62.03	479.33	8.09	-53.94
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3(CC3)CO2)CC1	REAL300012928385	0	55	0.0	-59.21	415.33	5.78	-53.43
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2OCCC2(C)C)CC1	REAL300012928933	0	60	0.0	-62.58	443.35	6.42	-56.16
CC(C)C[C@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929338	0	52	0.0	-72.42	374.23	9.20	-63.22
C=CCOCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929339	0	51	0.0	-73.95	382.02	7.74	-66.21
C=CC(C)C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929340	0	50	0.0	-72.06	360.05	8.73	-63.33
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCOCC1	REAL300012929341	0	54	0.0	-75.16	380.01	7.75	-67.41
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC=C(F)C(F)=C1	REAL300012929342	0	50	0.0	-66.41	383.77	10.12	-56.29
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC=C(Cl)C(F)=C1	REAL300012929343	0	50	0.0	-66.38	393.66	10.57	-55.81
COC1CCN(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(C(=O)[O-])C1	REAL300012929344	0	54	0.0	-78.56	385.19	8.41	-70.15
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCCOC1	REAL300012929345	0	54	0.0	-71.01	379.97	7.71	-63.30
CC1CCN(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(C(=O)[O-])C1	REAL300012929346	0	53	0.0	-77.22	368.70	9.65	-67.57
CC1=CC(C(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])=CC=C1F	REAL300012929347	0	53	0.0	-69.91	398.41	10.67	-59.24
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC=C2OCCC2=C1	REAL300012929348	0	55	0.0	-72.64	407.60	9.81	-62.83
CC1=CC(C(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])=CC(C)=C1	REAL300012929349	0	56	0.0	-74.28	414.53	11.30	-62.98
CC1=CC=C(C(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])C=C1C	REAL300012929350	0	56	0.0	-73.65	409.50	11.22	-62.43
CC1=CC=CC(C(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])=C1C	REAL300012929351	0	56	0.0	-73.63	401.69	11.00	-62.63
COC1=CC=C(C(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])C=C1F	REAL300012929352	0	54	0.0	-70.53	407.39	9.34	-61.19
CCCN(CC(=O)[O-])C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929353	0	49	0.0	-57.07	351.69	10.32	-46.75
CC(C(=O)[O-])N(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCC1	REAL300012929354	0	53	0.0	-58.10	370.31	9.08	-49.02
CCCN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(COC)C(=O)[O-]	REAL300012929355	0	56	0.0	-70.98	388.54	9.90	-61.08
CCCN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(CC)C(=O)[O-]	REAL300012929356	0	55	0.0	-50.12	370.49	10.48	-39.64
CC(C)C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929357	0	49	0.0	-72.44	352.57	8.47	-63.97
O=C([O-])C1CCCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929358	0	50	0.0	-78.87	355.11	9.59	-69.28
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC=C(Cl)C=C1	REAL300012929359	0	50	0.0	-69.77	380.34	10.25	-59.52
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O=C([O-])[C@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC=CC=C1	REAL300012929367	0	50	0.0	-71.28	373.93	8.21	-63.07
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC=CC=C1	REAL300012929368	0	50	0.0	-72.73	371.06	10.00	-62.73
CC(C)C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929369	0	49	0.0	-72.44	352.57	8.47	-63.97
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929370	0	53	0.0	-74.50	393.96	10.92	-63.58
CCC(C)C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929371	0	52	0.0	-73.19	370.52	9.11	-64.08
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CCCC(C)(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929373	0	52	0.0	-72.08	361.17	9.00	-63.08
CC(C)N(CC(=O)[O-])C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929374	0	49	0.0	-68.22	328.37	8.85	-59.37
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CC(C)CN(CC(=O)[O-])C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929377	0	52	0.0	-56.99	366.35	10.83	-46.16
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929378	0	54	0.0	-84.90	382.10	12.95	-71.95
CC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)(C(=O)[O-])C1CC1	REAL300012929379	0	50	0.0	-68.48	351.33	7.27	-61.21
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC=CS1	REAL300012929380	0	47	0.0	-68.52	372.37	7.60	-60.92
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCCCC1	REAL300012929381	0	53	0.0	-73.18	374.68	8.60	-64.58
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929382	0	53	0.0	-55.51	398.28	12.79	-42.72
CC(C)N(CC(=O)[O-])C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929383	0	49	0.0	-68.22	328.37	8.85	-59.37
CCCN(CC(=O)[O-])C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929384	0	49	0.0	-57.07	351.69	10.32	-46.75
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929385	0	57	0.0	-75.81	414.73	10.74	-65.07
CC[C@H](C)[C@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929386	0	52	0.0	-67.81	367.34	7.09	-60.72
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCCC1	REAL300012929387	0	50	0.0	-76.42	349.92	8.95	-67.47
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929388	0	53	0.0	-55.64	387.96	12.34	-43.30
CCC(C)(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929389	0	49	0.0	-71.81	339.67	8.25	-63.56
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CC2=CC=CC=C2C1	REAL300012929390	0	54	0.0	-74.85	389.64	11.13	-63.72
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC(F)=CC=C1F	REAL300012929391	0	50	0.0	-72.96	382.51	10.13	-62.83
CC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012929392	0	53	0.0	-73.61	379.98	10.69	-62.92
CCCCCCC(C)(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929393	0	61	0.0	-72.34	425.68	11.35	-60.99
CN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012929394	0	56	0.0	-71.63	401.22	12.81	-58.82
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC=C(Cl)C=C1	REAL300012929395	0	50	0.0	-69.77	380.34	10.25	-59.52
O=C([O-])C1COCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929396	0	48	0.0	-75.38	346.50	6.89	-68.49
CN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1(C(=O)[O-])CCCCC1	REAL300012929397	0	56	0.0	-78.30	372.33	11.25	-67.05
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CC1	REAL300012929398	0	47	0.0	-71.54	344.13	6.64	-64.90
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929399	0	56	0.0	-57.89	411.60	13.32	-44.57
CN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012929400	0	53	0.0	-66.47	389.33	10.13	-56.34
COCCN(CC(=O)[O-])C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929401	0	50	0.0	-57.74	361.57	8.74	-49.00
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCC2=CC=CC=C21	REAL300012929402	0	54	0.0	-78.12	386.71	11.07	-67.05
O=C([O-])[C@H]1CCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929403	0	47	0.0	-76.61	338.33	7.63	-68.98
O=C([O-])[C@H]1CCCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929404	0	50	0.0	-76.72	353.74	9.26	-67.46
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929405	0	47	0.0	-79.80	333.64	9.34	-70.46
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCC1	REAL300012929406	0	47	0.0	-77.15	336.65	8.58	-68.57
C=CCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929407	0	47	0.0	-71.28	348.57	8.42	-62.86
CC1(C(=O)[O-])CCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929408	0	50	0.0	-79.15	349.99	10.27	-68.88
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929409	0	57	0.0	-77.95	429.84	9.16	-68.79
O=C([O-])C1CCCCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929410	0	53	0.0	-81.57	357.06	11.15	-70.42
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CC1	REAL300012929411	0	47	0.0	-71.54	344.13	6.64	-64.90
CCCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929412	0	52	0.0	-72.05	378.53	9.45	-62.60
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929413	0	56	0.0	-57.89	411.60	13.32	-44.57
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929414	0	50	0.0	-73.70	360.34	8.85	-64.85
O=C([O-])CN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCCC1	REAL300012929415	0	53	0.0	-55.61	379.48	9.78	-45.83
COCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929416	0	47	0.0	-73.38	347.39	6.15	-67.23
CCCCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929417	0	55	0.0	-71.55	399.79	10.29	-61.26
CCC1CCC(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)(C(=O)[O-])CC1	REAL300012929418	0	59	0.0	-71.81	397.66	10.61	-61.20
O=C([O-])CN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCOCC1	REAL300012929419	0	54	0.0	-56.32	374.96	9.45	-46.87
CN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1(C(=O)[O-])CCCC1	REAL300012929420	0	53	0.0	-73.75	370.64	9.20	-64.55
CC(C(=O)[O-])N(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CC1	REAL300012929421	0	50	0.0	-57.75	350.41	10.29	-47.46
CCC(C(=O)[O-])N(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CC1	REAL300012929422	0	53	0.0	-60.16	368.88	11.28	-48.88
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC=CC=C1Cl	REAL300012929423	0	50	0.0	-74.71	382.41	10.44	-64.27
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC=CC=C1F	REAL300012929424	0	50	0.0	-78.73	375.85	10.13	-68.60
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929425	0	54	0.0	-59.83	384.85	12.27	-47.56
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929426	0	53	0.0	-77.66	400.39	10.91	-66.75
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929427	0	59	0.0	-72.41	415.61	11.16	-61.25
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929428	0	56	0.0	-59.33	402.09	13.47	-45.86
CC1=CC=C(C(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])C=C1	REAL300012929429	0	53	0.0	-73.42	393.09	10.65	-62.77
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929430	0	46	0.0	-65.71	351.23	8.68	-57.03
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC2=CC=CC=C2C=C1	REAL300012929431	0	56	0.0	-74.54	417.44	12.31	-62.23
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCSCC1	REAL300012929432	0	51	0.0	-72.30	362.63	9.78	-62.52
COCC(C)(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929433	0	50	0.0	-76.27	357.92	7.53	-68.74
CCOCC(C(=O)[O-])N(C)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929434	0	53	0.0	-69.14	376.35	9.26	-59.88
CC(C)CN(CC(=O)[O-])C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929435	0	52	0.0	-56.99	366.35	10.83	-46.16
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929436	0	59	0.0	-54.56	413.64	13.54	-41.02
O=C([O-])CN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CC1	REAL300012929437	0	47	0.0	-58.18	333.65	10.07	-48.11
O=C([O-])CN(CCC(F)(F)F)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929438	0	49	0.0	-56.61	369.82	10.70	-45.91
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCOC1	REAL300012929439	0	48	0.0	-71.38	341.03	6.39	-64.99
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCCCC1	REAL300012929440	0	56	0.0	-70.02	398.94	8.62	-61.40
CN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(COC1CCC1)C(=O)[O-]	REAL300012929441	0	57	0.0	-70.12	403.52	10.65	-59.47
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929442	0	57	0.0	-77.64	413.18	12.13	-65.51
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCOCC1	REAL300012929443	0	51	0.0	-75.36	356.43	7.60	-67.76
C=CCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929444	0	50	0.0	-71.43	369.61	9.29	-62.14
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929445	0	56	0.0	-51.66	385.43	11.58	-40.08
CCC(CC)(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929446	0	52	0.0	-73.02	356.34	9.13	-63.89
COC1=CC=C(C(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])C=C1	REAL300012929447	0	54	0.0	-73.26	393.10	9.03	-64.23
CCC(C)N(CC(=O)[O-])C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929448	0	52	0.0	-56.13	360.92	10.88	-45.25
CCC(COC)(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929449	0	53	0.0	-77.58	374.59	8.43	-69.15
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929450	0	56	0.0	-69.60	396.37	9.85	-59.75
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCS(=O)(=O)CC1	REAL300012929451	0	53	0.0	-72.26	391.14	4.60	-67.66
O=C([O-])C(CC1CC1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929452	0	50	0.0	-71.73	367.40	9.40	-62.33
COCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929453	0	50	0.0	-72.08	369.21	6.97	-65.11
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929454	0	55	0.0	-70.11	382.94	11.20	-58.91
O=C([O-])C(CC(F)F)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929455	0	46	0.0	-70.99	347.64	8.25	-62.74
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929456	0	56	0.0	-82.13	385.02	12.14	-69.99
CCCN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(C)C(=O)[O-]	REAL300012929457	0	52	0.0	-49.36	348.67	9.57	-39.79
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929458	0	56	0.0	-50.12	385.94	11.86	-38.26
CCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012929459	0	56	0.0	-74.92	396.48	11.64	-63.28
COC1CCCC(C(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])C1	REAL300012929460	0	60	0.0	-75.17	423.27	7.42	-67.75
O=C([O-])C(CCF)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929461	0	46	0.0	-70.51	342.13	8.05	-62.46
COC1(CC(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])CCC1	REAL300012929462	0	57	0.0	-74.35	406.77	9.00	-65.35
O=C([O-])CN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCOCC1	REAL300012929463	0	54	0.0	-56.32	374.96	9.45	-46.87
O=C([O-])CN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCCCC1	REAL300012929464	0	56	0.0	-56.08	396.89	10.49	-45.59
C[C@H]1CC[C@@](NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)(C(=O)[O-])CC1	REAL300012929465	0	56	0.0	-74.32	380.70	8.72	-65.60
COC1=CC=CC(C(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])=C1	REAL300012929466	0	54	0.0	-76.02	401.22	9.27	-66.75
CC(CCF)(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929467	0	49	0.0	-68.61	346.26	8.38	-60.23
O=C([O-])C1C2=C(CCN1C(=O)NC1CC3CCC(C1)[NH+]3C1CC1)OC=C2	REAL300012929468	0	51	0.0	-62.00	366.43	10.29	-51.71
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929469	0	47	0.0	-72.71	346.53	9.53	-63.18
COC1=CC=CC([C@H](NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])=C1	REAL300012929470	0	54	0.0	-72.07	403.41	7.51	-64.56
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C1	REAL300012929471	0	56	0.0	-76.97	409.81	10.19	-66.78
COC1=CC=CC(CC(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])=C1	REAL300012929472	0	57	0.0	-77.83	423.41	10.22	-67.61
CC1(C)CCCC(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)(C(=O)[O-])C1	REAL300012929473	0	59	0.0	-78.13	385.51	10.69	-67.44
O=C([O-])C12CC(C1)CN2C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929474	0	48	0.0	-85.50	341.51	10.41	-75.09
COC1CN(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(C)(C(=O)[O-])C1	REAL300012929475	0	54	0.0	-79.38	383.34	9.23	-70.15
O=C([O-])C(CC1CCCOC1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929476	0	57	0.0	-71.77	406.91	8.73	-63.04
CC(C)(C)[C@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929477	0	52	0.0	-67.90	366.93	7.27	-60.63
C=C(Cl)CC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929478	0	47	0.0	-67.99	364.01	9.03	-58.96
C=C(C)CC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929479	0	50	0.0	-72.94	368.69	9.21	-63.73
O=C([O-])C12CCC(CC1)N2C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929480	0	51	0.0	-88.11	356.15	11.19	-76.92
CC(CC1=CC=C(F)C=C1)(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929481	0	56	0.0	-71.86	403.52	11.16	-60.70
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929482	0	47	0.0	-73.17	339.23	9.22	-63.95
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929483	0	47	0.0	-77.78	341.55	9.39	-68.39
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C1	REAL300012929484	0	48	0.0	-75.93	358.22	8.42	-67.51
O=C([O-])C(CC1CCOCC1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929485	0	57	0.0	-73.72	407.01	8.73	-64.99
CC(C)C[C@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929486	0	52	0.0	-72.42	374.23	9.20	-63.22
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCOCC1	REAL300012929487	0	54	0.0	-75.16	380.01	7.75	-67.41
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC=CC=C1	REAL300012929488	0	50	0.0	-72.73	371.06	10.00	-62.73
O=C([O-])C(CC1CC1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929489	0	50	0.0	-71.73	367.40	9.40	-62.33
O=C([O-])C(CC1=CN=CS1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929490	0	49	0.0	-67.53	389.35	6.61	-60.92
CC(C)CCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929491	0	58	0.0	-71.62	417.37	10.81	-60.81
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929492	0	56	0.0	-71.84	423.83	11.32	-60.52
O=C([O-])C(CC1CCCO1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929493	0	54	0.0	-76.74	391.71	8.28	-68.46
CSCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929494	0	47	0.0	-69.53	359.24	8.25	-61.28
COC[C@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929495	0	47	0.0	-69.14	349.12	4.37	-64.77
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929496	0	53	0.0	-68.93	402.34	9.28	-59.65
CCC(C)CC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929497	0	55	0.0	-72.00	392.23	9.92	-62.08
C=CCCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929498	0	53	0.0	-71.67	391.10	10.07	-61.60
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929499	0	53	0.0	-67.76	402.53	9.23	-58.53
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC=CC2=CC=CC=C21	REAL300012929500	0	56	0.0	-76.55	411.33	12.15	-64.40
O=C([O-])C1CSCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929501	0	48	0.0	-75.32	354.90	9.31	-66.01
CC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012929502	0	53	0.0	-73.61	379.98	10.69	-62.92
O=C([O-])[C@H]1CCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929503	0	47	0.0	-76.61	338.33	7.63	-68.98
CCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929504	0	49	0.0	-71.60	356.79	8.73	-62.87
CC(C)[C@@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929505	0	49	0.0	-70.50	349.86	6.47	-64.03
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929506	0	51	0.0	-86.68	353.60	11.18	-75.50
CCN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(C)(C)C(=O)[O-]	REAL300012929507	0	52	0.0	-76.12	356.06	10.46	-65.66
CCCN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(C)C(=O)[O-]	REAL300012929508	0	52	0.0	-49.36	348.67	9.57	-39.79
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929509	0	46	0.0	-66.35	343.13	9.82	-56.53
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929510	0	46	0.0	-66.35	343.13	9.82	-56.53
CN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(C)(C)C(=O)[O-]	REAL300012929511	0	49	0.0	-73.09	350.34	8.31	-64.78
O=C([O-])[C@@H]1CCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929512	0	47	0.0	-79.80	333.64	9.34	-70.46
O=C([O-])CN(CCN1CCOCC1)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929513	0	59	0.0	-57.28	431.48	6.70	-50.58
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929514	0	48	0.0	-82.52	337.26	5.77	-76.75
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CC1	REAL300012929515	1	63	0.0	-57.27	443.20	7.88	-49.39
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929516	0	54	0.0	-51.75	383.04	12.43	-39.32
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)[C@H]1C(=O)[O-]	REAL300012929517	0	57	0.0	-63.00	395.96	12.79	-50.21
CCC[C@@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929518	0	49	0.0	-70.11	359.25	6.90	-63.21
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929519	0	55	0.0	-73.66	389.03	10.94	-62.72
O=C([O-])[C@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC=CC=C1	REAL300012929520	0	50	0.0	-71.28	373.93	8.21	-63.07
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929521	0	55	0.0	-74.02	411.82	9.93	-64.09
C=CCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929522	0	50	0.0	-71.43	369.61	9.29	-62.14
O=C([O-])C(CC1=NC=CS1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929523	0	49	0.0	-75.73	380.41	7.92	-67.81
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929524	0	50	0.0	-63.87	408.79	8.24	-55.63
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929525	0	50	0.0	-84.41	374.50	5.86	-78.55
CN1CC(C(=O)[O-])N(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CC1=O	REAL300012929526	0	51	0.0	-72.34	359.76	8.70	-63.64
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929527	0	50	0.0	-79.17	350.02	10.26	-68.91
CC(C)[C@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929528	0	49	0.0	-67.23	348.88	6.45	-60.78
O=C([O-])[C@@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CC=CC=C1	REAL300012929529	0	50	0.0	-69.79	373.89	8.21	-61.58
CC(CN1C=CC=N1)(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929530	0	53	0.0	-72.40	384.78	9.40	-63.00
CCC[C@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929531	0	49	0.0	-67.40	365.83	7.18	-60.22
CCN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(C)C(=O)[O-]	REAL300012929532	0	49	0.0	-69.15	336.65	9.50	-59.65
O=C([O-])CN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCCC1	REAL300012929533	0	53	0.0	-55.61	379.48	9.78	-45.83
CC(CN(C)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929534	0	49	0.0	-72.42	344.93	9.28	-63.14
CC[C@H](C)[C@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929535	0	52	0.0	-67.81	367.34	7.09	-60.72
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929536	0	49	0.0	-65.67	348.18	8.13	-57.54
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CC(CO)C1	REAL300012929537	0	51	0.0	-82.13	367.19	5.76	-76.37
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929538	0	59	0.0	-69.09	417.49	7.36	-61.73
CC1CCC(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)(C(=O)[O-])C1	REAL300012929539	0	53	0.0	-73.77	373.83	7.86	-65.91
CC1(C)CCCC1(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929540	0	56	0.0	-71.25	390.75	8.87	-62.38
COCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929541	0	50	0.0	-72.08	369.21	6.97	-65.11
CN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012929542	0	56	0.0	-71.63	401.22	12.81	-58.82
CC1(C)CC(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)(C(=O)[O-])C1	REAL300012929543	0	53	0.0	-78.14	372.84	10.28	-67.86
CC1CCC(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)(C(=O)[O-])C2=CC=CC=C21	REAL300012929544	0	60	0.0	-73.59	430.16	10.86	-62.73
CC1(C(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])CC1	REAL300012929545	0	50	0.0	-71.81	359.21	7.48	-64.33
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929546	0	59	0.0	-74.40	412.06	8.91	-65.49
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929547	0	48	0.0	-85.63	343.61	6.23	-79.40
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929548	0	58	0.0	-61.33	412.05	13.40	-47.93
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCOC1	REAL300012929549	0	51	0.0	-71.90	362.30	6.94	-64.96
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929550	0	51	0.0	-83.63	354.70	10.81	-72.82
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1=CNC2=CC=CC=C12	REAL300012929551	0	54	0.0	-81.57	403.60	10.05	-71.52
O=C([O-])C12COC(CN1C(=O)NC1CC3CCC(C1)[NH+]3C1CC1)C2	REAL300012929552	0	49	0.0	-81.04	348.82	8.60	-72.44
CC1CCC(C(=O)[O-])N(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C1	REAL300012929553	0	53	0.0	-78.34	375.95	10.17	-68.17
CC(C1=CC=CC=C1)C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929554	0	56	0.0	-73.10	410.71	11.34	-61.76
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929555	0	57	0.0	-71.91	407.37	11.05	-60.86
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCC1	REAL300012929556	0	50	0.0	-72.21	360.39	8.95	-63.26
CC1(C)CC(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)(C(=O)[O-])CC(C)(C)O1	REAL300012929557	0	63	0.0	-75.73	421.47	10.45	-65.28
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCCCC1	REAL300012929558	0	56	0.0	-70.02	398.94	8.62	-61.40
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCC1	REAL300012929559	0	50	0.0	-72.21	360.39	8.95	-63.26
CC1CCN(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C1C(=O)[O-]	REAL300012929560	0	50	0.0	-80.58	349.20	9.91	-70.67
C=CCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929561	0	47	0.0	-71.28	348.57	8.42	-62.86
O=C([O-])C(CC1CCCCO1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929562	0	57	0.0	-71.96	407.76	9.63	-62.33
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929563	0	57	0.0	-49.97	375.97	11.17	-38.80
CC1(C)CC(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)(C(=O)[O-])CCO1	REAL300012929564	0	57	0.0	-76.47	385.54	8.89	-67.58
CC1=CC=CC2=C1CCN(C(=O)NC1CC3CCC(C1)[NH+]3C1CC1)C2C(=O)[O-]	REAL300012929565	0	57	0.0	-61.94	402.67	12.68	-49.26
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929566	0	51	0.0	-54.21	353.66	10.44	-43.77
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929567	0	57	0.0	-71.91	407.37	11.05	-60.86
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929568	0	53	0.0	-76.52	392.91	10.71	-65.81
COC1CC(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)(C(=O)[O-])C1	REAL300012929569	0	51	0.0	-79.65	370.02	7.54	-72.11
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CC(F)(F)C1	REAL300012929570	0	47	0.0	-75.14	344.97	8.62	-66.52
CO[C@H]1C[C@](NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)(C(=O)[O-])C1	REAL300012929571	0	51	0.0	-70.00	376.56	5.92	-64.08
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1(C(F)(F)F)CC1	REAL300012929572	0	50	0.0	-69.84	376.85	9.45	-60.39
CCC1(C(=O)[O-])CCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929573	0	53	0.0	-81.84	363.52	11.39	-70.45
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929574	0	46	0.0	-65.71	351.23	8.68	-57.03
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929575	0	54	0.0	-74.12	389.09	7.98	-66.14
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)COC1	REAL300012929576	0	45	0.0	-67.79	337.12	4.14	-63.65
O=C([O-])C(CC1=CC=CS1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929577	0	50	0.0	-73.76	377.54	9.71	-64.05
COCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012929578	0	57	0.0	-73.16	412.69	9.96	-63.20
CC(C)C(C)(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929579	0	52	0.0	-72.68	354.60	8.87	-63.81
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929580	0	48	0.0	-84.03	340.06	10.91	-73.12
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929581	0	51	0.0	-76.32	366.04	8.85	-67.47
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929582	0	56	0.0	-50.12	385.94	11.86	-38.26
O=C([O-])C(CC1CCCCC1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929583	0	59	0.0	-72.41	415.61	11.16	-61.25
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929584	0	56	0.0	-68.54	418.32	9.96	-58.58
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929585	0	56	0.0	-71.03	419.15	9.92	-61.11
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CC2CCC1C2	REAL300012929586	0	57	0.0	-72.78	400.04	8.78	-64.00
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929587	0	59	0.0	-72.37	415.59	11.16	-61.21
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929588	0	59	0.0	-72.51	415.59	11.16	-61.35
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929589	0	57	0.0	-51.62	391.26	11.44	-40.18
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929590	0	57	0.0	-83.20	392.11	11.43	-71.77
COC1=CC=C(CC(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])C=C1	REAL300012929591	0	57	0.0	-75.03	423.24	10.29	-64.74
C=CCSCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929592	0	51	0.0	-69.56	393.51	9.71	-59.85
N#CC1=CC=C(CC(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])C=C1	REAL300012929593	0	54	0.0	-72.22	413.90	11.32	-60.90
CCC(C(=O)[O-])N(CC)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929594	0	52	0.0	-68.67	356.46	10.51	-58.16
COC1(C(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])CCC1	REAL300012929595	0	54	0.0	-69.28	383.65	7.54	-61.74
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCC(C(F)F)CC1	REAL300012929596	0	56	0.0	-77.29	397.33	10.91	-66.38
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCC2=CC=CC=C2C1	REAL300012929597	0	57	0.0	-77.18	395.50	11.75	-65.43
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CC(C(F)F)C1	REAL300012929598	0	50	0.0	-72.25	370.61	9.48	-62.77
CC(C)(C)C1=CC=C(C(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])C=C1	REAL300012929600	0	62	0.0	-72.99	440.23	12.11	-60.88
CC(C)C1=CC=C(C(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])C=C1	REAL300012929601	0	59	0.0	-72.65	431.66	11.98	-60.67
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929602	0	47	0.0	-77.78	341.55	9.39	-68.39
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929603	0	49	0.0	-53.84	352.31	8.86	-44.98
CC1(C)CCN(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C1C(=O)[O-]	REAL300012929604	0	53	0.0	-81.54	369.30	10.38	-71.16
CCOC1=CC=C(C(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C(=O)[O-])C=C1	REAL300012929605	0	57	0.0	-72.59	422.79	10.28	-62.31
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929606	0	57	0.0	-84.03	388.09	12.31	-71.72
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCC2=CC=CC=C21	REAL300012929607	0	57	0.0	-70.59	414.36	10.10	-60.49
CC(COC1=CC=CC=C1)(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929608	0	57	0.0	-78.12	414.14	11.01	-67.11
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929609	0	53	0.0	-72.32	410.14	9.15	-63.17
CC(C)CCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929610	0	55	0.0	-72.29	396.10	9.97	-62.32
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929611	0	54	0.0	-53.67	391.65	9.74	-43.93
O=C([O-])C(CC1CCOC1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929612	0	54	0.0	-74.12	389.09	7.98	-66.14
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C1	REAL300012929613	0	51	0.0	-78.03	375.90	10.87	-67.16
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCCC2CC21	REAL300012929614	0	54	0.0	-75.73	373.57	10.47	-65.26
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCC2CC21	REAL300012929615	0	51	0.0	-74.93	367.70	8.36	-66.57
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CC2(CCC2)C1	REAL300012929616	0	54	0.0	-75.94	379.28	10.21	-65.73
CN(C(=O)NC1CC2CCC(C1)[NH+]2C1CC1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012929617	0	56	0.0	-72.23	402.66	12.75	-59.48
O=C([O-])C1CC2(CN1C(=O)NC1CC3CCC(C1)[NH+]3C1CC1)CCCCC2	REAL300012929618	0	60	0.0	-50.20	404.49	11.94	-38.26
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCCC1	REAL300012929619	0	53	0.0	-68.45	381.37	7.99	-60.46
CO[C@H](C)[C@H](NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929620	0	50	0.0	-69.49	367.76	5.38	-64.11
CC1[C@@H](C)[C@@]1(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929621	0	50	0.0	-72.68	358.34	7.61	-65.07
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929622	0	53	0.0	-57.02	389.19	12.56	-44.46
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C1	REAL300012929623	0	53	0.0	-52.74	370.20	10.29	-42.45
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929624	0	50	0.0	-75.13	366.20	9.40	-65.73
O=C([O-])C1N(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCC1(F)F	REAL300012929625	0	47	0.0	-77.82	356.74	8.03	-69.79
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929626	0	53	0.0	-76.52	392.91	10.71	-65.81
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929627	0	50	0.0	-72.66	384.51	9.89	-62.77
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929628	0	50	0.0	-66.94	365.69	8.71	-58.23
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CC2(CC(F)(F)C2)C1	REAL300012929629	0	54	0.0	-73.69	407.29	9.09	-64.60
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929630	0	58	0.0	-78.06	421.43	11.89	-66.17
O=C([O-])C(CC1=CSC=C1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929631	0	50	0.0	-72.66	384.51	9.89	-62.77
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929632	0	54	0.0	-82.81	371.50	11.10	-71.71
COCCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929633	0	53	0.0	-71.33	390.71	7.74	-63.59
CCCC(C(=O)[O-])N(C)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929634	0	52	0.0	-68.69	365.58	10.69	-58.00
CCOCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929635	0	50	0.0	-73.51	369.11	7.17	-66.34
CC(C)(C)CC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929636	0	55	0.0	-72.12	385.55	10.31	-61.81
O=C([O-])C(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C1CCCCO1	REAL300012929637	0	54	0.0	-74.19	384.26	8.06	-66.13
O=C([O-])C1(NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CC2=CC=CC=C2C1	REAL300012929638	0	54	0.0	-74.85	389.64	11.13	-63.72
C[C@H]1OCCN(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)[C@@H]1C(=O)[O-]	REAL300012929639	0	51	0.0	-80.32	353.88	8.91	-71.41
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929640	0	53	0.0	-69.23	386.52	9.28	-59.95
N#CCCC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300012929641	0	47	0.0	-72.63	356.39	8.41	-64.22
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929642	0	56	0.0	-76.55	423.62	11.22	-65.33
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929643	0	50	0.0	-57.35	383.80	9.36	-47.99
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929644	0	61	0.0	-75.87	416.16	9.83	-66.04
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300012929645	0	52	0.0	-67.84	405.45	9.60	-58.24
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C1	REAL300012929646	0	54	0.0	-74.72	398.19	8.21	-66.51
CC1CC(C)(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012930217	0	56	0.0	-62.78	416.53	7.72	-55.06
C#CC(CC1CCOC1)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012930427	0	56	0.0	-60.55	427.90	6.48	-54.07
CC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=NN1C	REAL300012930650	0	53	0.0	-69.95	413.54	5.56	-64.39
CCCC=CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012930818	0	53	0.0	-58.45	403.13	7.13	-51.32
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CC(C)(C)NC2=O)CC1	REAL300012931038	0	60	0.0	-67.22	448.76	4.71	-62.51
CC1CCC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012931274	0	59	0.0	-58.15	432.33	8.17	-49.98
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3C(C2)C3(F)F)CC1	REAL300012931553	0	57	0.0	-63.23	429.97	8.53	-54.70
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC=C2C(C)(F)F)CC1	REAL300012932169	0	56	0.0	-66.91	433.33	9.28	-57.63
CCCCC1(O)CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300012933466	0	66	0.0	-60.39	475.60	6.62	-53.77
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)NC(=O)NC2=O)CC1	REAL300012934279	0	52	0.0	-64.46	408.53	0.64	-63.82
COC[C@H](CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])OC	REAL300012935052	0	54	0.0	-62.43	415.50	3.70	-58.73
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCOCC23CCCC3)CC1	REAL300012935325	0	64	0.0	-63.11	457.32	7.42	-55.69
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3C(C2)C3(F)F)CC1	REAL300012935612	0	54	0.0	-65.94	416.15	7.89	-58.05
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC(C(F)F)CC2)CC1	REAL300012936656	0	59	0.0	-64.48	437.86	8.37	-56.11
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC(F)=C1	REAL300012937211	0	53	0.0	-60.86	415.07	8.34	-52.52
C[C@H](CC1CC1)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012937396	0	53	0.0	-64.04	404.12	7.73	-56.31
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CN(C3CCC3)C2=O)CC1	REAL300012937634	0	61	0.0	-67.51	463.58	7.01	-60.50
C=CCC(C)(C)CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012937874	0	59	0.0	-58.11	431.95	7.71	-50.40
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012938275	1	51	0.0	-69.37	400.52	8.14	-61.23
C=CCOCC(NC(=O)NCCCN1C=C[NH+]=C1CCC)C(=O)[O-]	REAL300012938276	1	50	0.0	-71.05	408.73	6.53	-64.52
C=CC(C)C(NC(=O)NCCCN1C=C[NH+]=C1CCC)C(=O)[O-]	REAL300012938277	1	49	0.0	-69.80	386.91	7.66	-62.14
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012938278	1	53	0.0	-70.51	412.09	6.78	-63.73
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012938279	1	49	0.0	-65.26	410.95	8.93	-56.33
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012938280	1	49	0.0	-65.18	420.85	9.38	-55.80
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300012938281	1	53	0.0	-79.19	402.25	8.76	-70.43
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012938282	1	53	0.0	-68.67	406.54	6.55	-62.12
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300012938283	1	52	0.0	-78.33	385.97	10.01	-68.32
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300012938284	1	52	0.0	-67.65	424.96	9.51	-58.14
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012938285	1	54	0.0	-70.16	433.90	8.74	-61.42
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300012938286	1	55	0.0	-71.50	440.83	10.22	-61.28
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300012938287	1	55	0.0	-71.61	436.41	10.09	-61.52
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300012938288	1	55	0.0	-70.73	429.08	9.94	-60.79
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300012938289	1	53	0.0	-71.17	433.95	8.17	-63.00
CCCC1=[NH+]C=CN1CCCNC(=O)N(CCC)CC(=O)[O-]	REAL300012938290	1	48	0.0	-56.85	381.54	9.31	-47.54
CCCC1=[NH+]C=CN1CCCNC(=O)N(C(C)C(=O)[O-])C1CCC1	REAL300012938291	1	52	0.0	-57.60	394.30	9.64	-47.96
CCCC1=[NH+]C=CN1CCCNC(=O)N(CCC)C(COC)C(=O)[O-]	REAL300012938292	1	55	0.0	-72.92	423.43	10.28	-62.64
CCCC1=[NH+]C=CN1CCCNC(=O)N(CCC)C(CC)C(=O)[O-]	REAL300012938293	1	54	0.0	-52.92	406.36	10.98	-41.94
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C(C)C	REAL300012938294	1	48	0.0	-68.12	376.29	7.28	-60.84
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012938295	1	49	0.0	-79.30	372.16	9.92	-69.38
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012938296	1	49	0.0	-66.90	414.38	9.36	-57.54
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012938297	1	47	0.0	-76.06	371.99	9.78	-66.28
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012938298	1	52	0.0	-73.01	391.59	8.94	-64.07
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCCC1C(=O)[O-]	REAL300012938299	1	46	0.0	-75.36	360.82	8.66	-66.70
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012938300	1	49	0.0	-73.46	376.49	7.81	-65.65
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012938301	1	55	0.0	-73.63	397.25	9.62	-64.01
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012938302	1	52	0.0	-71.08	420.54	9.76	-61.32
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012938303	1	52	0.0	-57.19	419.04	11.55	-45.64
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012938304	1	49	0.0	-71.08	398.29	8.82	-62.26
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012938305	1	49	0.0	-70.50	397.64	8.84	-61.66
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C(C)C	REAL300012938306	1	48	0.0	-68.12	376.29	7.28	-60.84
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012938307	1	52	0.0	-71.08	420.54	9.76	-61.32
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C(C)CC	REAL300012938308	1	51	0.0	-69.15	395.23	7.97	-61.18
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCCCC1C(=O)[O-]	REAL300012938309	1	49	0.0	-79.30	372.16	9.92	-69.38
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C)(CCC)C(=O)[O-]	REAL300012938310	1	51	0.0	-69.41	387.75	7.87	-61.54
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C(C)C	REAL300012938311	1	48	0.0	-57.72	370.17	8.82	-48.90
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C1CC1	REAL300012938312	1	46	0.0	-54.73	363.55	9.10	-45.63
C=CCN(CC(=O)[O-])C(=O)NCCCN1C=C[NH+]=C1CCC	REAL300012938313	1	46	0.0	-56.70	372.85	9.11	-47.59
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012938314	1	51	0.0	-56.84	396.21	9.83	-47.01
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012938315	1	53	0.0	-78.67	409.81	11.79	-66.88
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300012938316	1	49	0.0	-70.76	375.71	7.87	-62.89
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012938317	1	46	0.0	-69.22	389.83	7.89	-61.33
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012938318	1	52	0.0	-73.01	391.59	8.94	-64.07
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012938319	1	52	0.0	-54.89	435.65	12.08	-42.81
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C(C)C	REAL300012938320	1	48	0.0	-57.72	370.17	8.82	-48.90
CCCC1=[NH+]C=CN1CCCNC(=O)N(CCC)CC(=O)[O-]	REAL300012938321	1	48	0.0	-56.85	381.54	9.31	-47.54
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012938322	1	56	0.0	-71.78	448.71	9.85	-61.93
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300012938323	1	51	0.0	-70.46	393.31	7.69	-62.77
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCCC1	REAL300012938324	1	49	0.0	-73.46	376.49	7.81	-65.65
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012938325	1	52	0.0	-55.07	425.33	11.63	-43.44
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C)(CC)C(=O)[O-]	REAL300012938326	1	48	0.0	-69.16	366.25	7.12	-62.04
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012938327	1	53	0.0	-72.27	416.19	9.99	-62.28
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012938328	1	49	0.0	-71.34	409.06	8.97	-62.37
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012938329	1	52	0.0	-71.42	406.07	9.59	-61.83
CCCCCCC(C)(NC(=O)NCCCN1C=C[NH+]=C1CCC)C(=O)[O-]	REAL300012938330	1	60	0.0	-69.68	452.25	10.20	-59.48
CCCC1=[NH+]C=CN1CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012938331	1	55	0.0	-68.26	429.61	11.78	-56.48
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012938332	1	49	0.0	-66.90	414.38	9.36	-57.54
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCOCC1C(=O)[O-]	REAL300012938333	1	47	0.0	-75.50	363.33	7.24	-68.26
CCCC1=[NH+]C=CN1CCCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	REAL300012938334	1	55	0.0	-74.84	400.85	10.25	-64.59
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CC1	REAL300012938335	1	46	0.0	-70.08	371.87	7.29	-62.79
CCCC1=[NH+]C=CN1CCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012938336	1	55	0.0	-57.96	441.45	12.33	-45.63
CCCC1=[NH+]C=CN1CCCNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012938337	1	52	0.0	-71.77	408.02	11.07	-60.70
CCCC1=[NH+]C=CN1CCCNC(=O)N(CCOC)CC(=O)[O-]	REAL300012938338	1	49	0.0	-57.58	391.43	7.73	-49.85
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012938339	1	53	0.0	-75.91	413.26	9.93	-65.98
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012938340	1	46	0.0	-75.77	361.60	8.33	-67.44
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300012938341	1	49	0.0	-77.78	371.73	9.66	-68.12
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012938342	1	46	0.0	-75.36	360.83	8.65	-66.71
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCC1	REAL300012938343	1	46	0.0	-73.98	363.20	7.44	-66.54
C=CCC(NC(=O)NCCCN1C=C[NH+]=C1CCC)C(=O)[O-]	REAL300012938344	1	46	0.0	-68.32	374.59	7.20	-61.12
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCCC1(C)C(=O)[O-]	REAL300012938345	1	49	0.0	-75.26	377.95	9.21	-66.05
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012938346	1	56	0.0	-77.60	454.40	9.70	-67.90
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012938347	1	52	0.0	-76.68	385.04	10.18	-66.50
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CC1	REAL300012938348	1	46	0.0	-70.08	371.87	7.29	-62.79
CCCCC(NC(=O)NCCCN1C=C[NH+]=C1CCC)C(=O)[O-]	REAL300012938349	1	51	0.0	-69.32	405.11	8.29	-61.03
CCCC1=[NH+]C=CN1CCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012938350	1	55	0.0	-57.96	441.45	12.33	-45.63
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300012938351	1	49	0.0	-75.27	378.01	9.18	-66.09
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012938352	1	52	0.0	-56.22	396.35	10.11	-46.11
CCCC1=[NH+]C=CN1CCCNC(=O)NC(COC)C(=O)[O-]	REAL300012938353	1	46	0.0	-70.99	373.97	4.98	-66.01
CCCCCC(NC(=O)NCCCN1C=C[NH+]=C1CCC)C(=O)[O-]	REAL300012938354	1	54	0.0	-69.31	426.61	9.07	-60.24
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300012938355	1	58	0.0	-72.93	430.65	10.20	-62.73
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012938356	1	53	0.0	-56.73	404.86	8.44	-48.29
CCCC1=[NH+]C=CN1CCCNC(=O)N(C)C1(C(=O)[O-])CCCC1	REAL300012938357	1	52	0.0	-75.77	387.53	9.55	-66.22
CCCC1=[NH+]C=CN1CCCNC(=O)N(C(C)C(=O)[O-])C1CC1	REAL300012938358	1	49	0.0	-58.80	378.44	9.14	-49.66
CCCC1=[NH+]C=CN1CCCNC(=O)N(C(CC)C(=O)[O-])C1CC1	REAL300012938359	1	52	0.0	-56.65	399.09	10.24	-46.41
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012938360	1	49	0.0	-72.17	408.98	9.28	-62.89
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012938361	1	49	0.0	-76.61	402.64	8.90	-67.71
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012938362	1	53	0.0	-59.55	413.15	11.24	-48.31
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012938363	1	52	0.0	-67.23	430.76	9.79	-57.44
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012938364	1	58	0.0	-70.11	442.40	9.93	-60.18
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300012938365	1	55	0.0	-55.64	431.01	12.13	-43.51
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300012938366	1	52	0.0	-70.79	419.40	9.57	-61.22
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012938367	1	45	0.0	-64.05	378.05	7.44	-56.61
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012938368	1	55	0.0	-72.61	444.22	11.09	-61.52
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012938369	1	50	0.0	-69.12	389.28	8.64	-60.48
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C)(COC)C(=O)[O-]	REAL300012938370	1	49	0.0	-73.39	384.50	6.40	-66.99
CCCC1=[NH+]C=CN1CCCNC(=O)N(C)C(COCC)C(=O)[O-]	REAL300012938371	1	52	0.0	-67.09	403.88	8.23	-58.86
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC(C)C	REAL300012938372	1	51	0.0	-56.84	396.21	9.83	-47.01
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C(CC)C1=CC=CC=C1	REAL300012938373	1	58	0.0	-54.77	447.10	12.90	-41.87
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C1CC1	REAL300012938374	1	46	0.0	-54.73	363.55	9.10	-45.63
CCCC1=[NH+]C=CN1CCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012938375	1	48	0.0	-56.59	399.67	9.69	-46.90
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012938376	1	47	0.0	-68.70	367.60	5.25	-63.45
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012938377	1	55	0.0	-71.56	415.86	8.95	-62.61
CCCC1=[NH+]C=CN1CCCNC(=O)N(C)C(COC1CCC1)C(=O)[O-]	REAL300012938378	1	56	0.0	-67.50	432.22	9.54	-57.96
CCCC1=[NH+]C=CN1CCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012938379	1	56	0.0	-78.51	436.33	12.87	-65.64
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012938380	1	50	0.0	-72.13	383.01	6.45	-65.68
C=CCCC(NC(=O)NCCCN1C=C[NH+]=C1CCC)C(=O)[O-]	REAL300012938381	1	49	0.0	-69.03	396.42	8.07	-60.96
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CF)C(=O)[O-]	REAL300012938382	1	42	0.0	-58.03	343.90	5.73	-52.30
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-]	REAL300012938383	1	55	0.0	-50.70	428.35	12.58	-38.12
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC)(CC)C(=O)[O-]	REAL300012938384	1	51	0.0	-70.38	382.92	8.01	-62.37
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1	REAL300012938385	1	53	0.0	-70.79	427.74	8.12	-62.67
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C(C)CC	REAL300012938386	1	51	0.0	-55.10	393.37	10.00	-45.10
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC)(COC)C(=O)[O-]	REAL300012938387	1	52	0.0	-74.84	401.17	7.31	-67.53
CCCC1=[NH+]C=CN1CCCNC(=O)N(C)C(COC(C)C)C(=O)[O-]	REAL300012938388	1	55	0.0	-67.04	424.52	8.87	-58.17
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012938389	1	52	0.0	-73.99	408.13	4.94	-69.05
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012938390	1	49	0.0	-68.91	393.44	8.35	-60.56
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CCOC)C(=O)[O-]	REAL300012938391	1	49	0.0	-68.94	394.95	5.81	-63.13
CCCC1=[NH+]C=CN1CCCNC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300012938392	1	54	0.0	-67.22	411.29	10.30	-56.92
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012938393	1	45	0.0	-68.66	374.46	7.03	-61.63
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCCC1(CCC)C(=O)[O-]	REAL300012938394	1	55	0.0	-77.83	412.68	11.17	-66.66
CCCC1=[NH+]C=CN1CCCNC(=O)N(CCC)C(C)C(=O)[O-]	REAL300012938395	1	51	0.0	-65.87	391.78	9.38	-56.49
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012938396	1	55	0.0	-52.22	430.58	12.59	-39.63
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300012938397	1	55	0.0	-72.27	422.89	10.46	-61.81
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300012938398	1	59	0.0	-74.48	447.58	8.02	-66.46
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CCF)C(=O)[O-]	REAL300012938399	1	45	0.0	-68.08	368.70	6.89	-61.19
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-]	REAL300012938400	1	56	0.0	-70.73	431.85	8.17	-62.56
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012938401	1	53	0.0	-56.73	404.86	8.44	-48.29
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012938402	1	55	0.0	-56.68	413.72	10.82	-45.86
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300012938403	1	55	0.0	-73.47	405.42	9.34	-64.13
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012938404	1	53	0.0	-72.85	427.15	8.13	-64.72
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012938405	1	48	0.0	-66.18	372.85	7.26	-58.92
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012938406	1	50	0.0	-61.46	395.58	9.43	-52.03
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012938407	1	46	0.0	-69.79	375.96	8.40	-61.39
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300012938408	1	53	0.0	-72.85	427.13	8.13	-64.72
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-]	REAL300012938409	1	55	0.0	-77.29	426.86	10.52	-66.77
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300012938410	1	56	0.0	-73.84	449.70	9.11	-64.73
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012938411	1	58	0.0	-74.25	419.50	9.82	-64.43
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300012938412	1	47	0.0	-80.66	368.12	9.29	-71.37
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300012938413	1	53	0.0	-72.10	410.78	8.24	-63.86
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012938414	1	56	0.0	-69.39	433.47	7.57	-61.82
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012938415	1	51	0.0	-70.67	392.86	7.84	-62.83
C=C(Cl)CC(NC(=O)NCCCN1C=C[NH+]=C1CCC)C(=O)[O-]	REAL300012938416	1	46	0.0	-69.97	391.38	7.80	-62.17
C=C(C)CC(NC(=O)NCCCN1C=C[NH+]=C1CCC)C(=O)[O-]	REAL300012938417	1	49	0.0	-68.83	395.13	7.95	-60.88
CCCC1=[NH+]C=CN1CCCNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012938418	1	50	0.0	-82.86	382.91	10.08	-72.78
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012938419	1	55	0.0	-69.34	430.05	10.00	-59.34
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012938420	1	46	0.0	-69.19	374.62	8.50	-60.69
CCCC1=[NH+]C=CN1CCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012938421	1	46	0.0	-73.36	368.07	8.43	-64.93
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCN2C=C[NH+]=C2CCC)C1	REAL300012938422	1	47	0.0	-75.70	375.01	8.72	-66.98
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012938423	1	56	0.0	-69.47	429.32	8.22	-61.25
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300012938424	1	51	0.0	-69.37	400.52	8.14	-61.23
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012938425	1	53	0.0	-70.51	412.09	6.78	-63.73
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012938426	1	49	0.0	-70.50	397.64	8.84	-61.66
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1CC1)C(=O)[O-]	REAL300012938427	1	49	0.0	-68.91	393.44	8.35	-60.56
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012938428	1	48	0.0	-68.38	407.08	6.93	-61.45
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300012938429	1	57	0.0	-68.70	443.34	9.58	-59.12
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012938430	1	55	0.0	-73.63	449.98	10.21	-63.42
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012938431	1	53	0.0	-73.86	418.26	7.12	-66.74
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CSC)C(=O)[O-]	REAL300012938432	1	46	0.0	-67.09	385.58	7.16	-59.93
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@@H](COC)C(=O)[O-]	REAL300012938433	1	46	0.0	-70.98	373.97	4.98	-66.00
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012938434	1	52	0.0	-68.75	426.86	9.82	-58.93
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300012938435	1	54	0.0	-69.72	419.04	8.70	-61.02
C=CCCCC(NC(=O)NCCCN1C=C[NH+]=C1CCC)C(=O)[O-]	REAL300012938436	1	52	0.0	-68.98	417.92	8.85	-60.13
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012938437	1	52	0.0	-68.93	426.85	9.83	-59.10
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012938438	1	55	0.0	-75.03	439.12	10.97	-64.06
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012938439	1	47	0.0	-76.06	371.99	9.78	-66.28
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012938440	1	52	0.0	-71.42	406.07	9.59	-61.83
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300012938441	1	46	0.0	-75.77	361.60	8.33	-67.44
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CCC)C(=O)[O-]	REAL300012938442	1	48	0.0	-68.77	382.78	7.52	-61.25
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300012938443	1	48	0.0	-69.73	374.19	7.07	-62.66
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012938444	1	50	0.0	-81.06	382.15	10.20	-70.86
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC)C(C)(C)C(=O)[O-]	REAL300012938445	1	51	0.0	-72.23	386.83	9.53	-62.70
CCCC1=[NH+]C=CN1CCCNC(=O)N(CCC)C(C)C(=O)[O-]	REAL300012938446	1	51	0.0	-65.87	391.78	9.38	-56.49
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012938447	1	45	0.0	-64.61	374.65	9.06	-55.55
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012938448	1	45	0.0	-64.61	374.65	9.06	-55.55
CCCC1=[NH+]C=CN1CCCNC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300012938449	1	48	0.0	-72.31	367.34	8.63	-63.68
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC[C@H]1C(=O)[O-]	REAL300012938450	1	46	0.0	-75.36	360.83	8.65	-66.71
CCCC1=[NH+]C=CN1CCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012938451	1	58	0.0	-57.59	448.38	7.03	-50.56
CCCC1=[NH+]C=CN1CCCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012938452	1	47	0.0	-77.51	372.87	4.95	-72.56
CCCC1=NC=CN1CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012938453	0	62	0.0	-62.52	472.17	8.69	-53.83
CCCC1=[NH+]C=CN1CCCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-]	REAL300012938454	1	53	0.0	-55.21	416.62	11.58	-43.63
CCCC1=[NH+]C=CN1CCCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-]	REAL300012938455	1	56	0.0	-61.58	424.73	11.80	-49.78
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@H](CCC)C(=O)[O-]	REAL300012938456	1	48	0.0	-69.36	383.57	7.51	-61.85
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012938457	1	54	0.0	-68.75	418.03	9.97	-58.78
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012938458	1	49	0.0	-71.08	398.29	8.82	-62.26
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012938459	1	54	0.0	-71.13	438.40	8.77	-62.36
C=CCCC(NC(=O)NCCCN1C=C[NH+]=C1CCC)C(=O)[O-]	REAL300012938460	1	49	0.0	-69.03	396.42	8.07	-60.96
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012938461	1	48	0.0	-72.30	407.06	6.76	-65.54
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012938462	1	49	0.0	-65.35	425.72	8.57	-56.78
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012938463	1	49	0.0	-84.51	391.33	6.21	-78.30
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-]	REAL300012938464	1	50	0.0	-70.26	389.09	7.89	-62.37
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300012938465	1	49	0.0	-75.09	377.93	9.20	-65.89
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@H](C(=O)[O-])C(C)C	REAL300012938466	1	48	0.0	-69.88	379.15	7.32	-62.56
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012938467	1	49	0.0	-70.49	397.60	8.84	-61.65
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012938468	1	52	0.0	-72.47	407.69	8.14	-64.33
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CCC)C(=O)[O-]	REAL300012938469	1	48	0.0	-68.83	382.75	7.52	-61.31
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC)C(C)C(=O)[O-]	REAL300012938470	1	48	0.0	-65.57	369.31	8.48	-57.09
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012938471	1	52	0.0	-56.22	396.35	10.11	-46.11
CCCC1=[NH+]C=CN1CCCNC(=O)N(C)CC(C)C(=O)[O-]	REAL300012938472	1	48	0.0	-69.29	372.47	8.21	-61.08
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300012938473	1	51	0.0	-70.46	393.31	7.69	-62.77
CCCC1=[NH+]C=CN1CCCNC(=O)N(C)[C@@H](CC)C(=O)[O-]	REAL300012938474	1	48	0.0	-65.66	373.55	8.87	-56.79
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012938475	1	50	0.0	-78.71	393.74	4.64	-74.07
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C	REAL300012938476	1	58	0.0	-71.42	445.34	8.03	-63.39
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCC(C)C1	REAL300012938477	1	52	0.0	-73.17	398.14	8.48	-64.69
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012938478	1	55	0.0	-73.98	406.01	9.09	-64.89
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CCOC)C(=O)[O-]	REAL300012938479	1	49	0.0	-68.94	394.95	5.81	-63.13
CCCC1=[NH+]C=CN1CCCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012938480	1	55	0.0	-68.26	429.61	11.78	-56.48
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012938481	1	52	0.0	-74.72	399.40	9.14	-65.58
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21	REAL300012938482	1	59	0.0	-75.75	447.12	11.17	-64.58
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300012938483	1	49	0.0	-70.15	390.79	7.87	-62.28
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C	REAL300012938484	1	58	0.0	-70.93	445.92	8.03	-62.90
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012938485	1	47	0.0	-82.33	372.84	5.12	-77.21
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012938486	1	57	0.0	-60.77	440.41	12.37	-48.40
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012938487	1	50	0.0	-67.96	396.60	5.88	-62.08
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012938488	1	50	0.0	-79.41	382.85	9.79	-69.62
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012938489	1	53	0.0	-78.76	430.15	8.89	-69.87
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012938490	1	48	0.0	-76.30	375.43	7.47	-68.83
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC(C)CCC1C(=O)[O-]	REAL300012938491	1	52	0.0	-78.68	393.00	10.50	-68.18
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1	REAL300012938492	1	55	0.0	-70.57	437.27	10.17	-60.40
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012938493	1	56	0.0	-69.33	430.31	10.53	-58.80
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012938494	1	49	0.0	-70.40	382.21	7.61	-62.79
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012938495	1	62	0.0	-71.79	455.51	9.50	-62.29
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012938496	1	55	0.0	-71.56	415.86	8.95	-62.61
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCC1	REAL300012938497	1	49	0.0	-70.40	382.21	7.61	-62.79
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC(C)C1C(=O)[O-]	REAL300012938498	1	49	0.0	-76.88	382.19	8.95	-67.93
C=CCC(NC(=O)NCCCN1C=C[NH+]=C1CCC)C(=O)[O-]	REAL300012938499	1	46	0.0	-68.32	374.59	7.20	-61.12
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012938500	1	56	0.0	-73.22	436.28	7.92	-65.30
CCCC1=[NH+]C=CN1CCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012938501	1	56	0.0	-50.89	411.96	10.56	-40.33
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012938502	1	56	0.0	-73.03	412.11	7.76	-65.27
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-]	REAL300012938503	1	56	0.0	-61.51	430.57	11.78	-49.73
CCCC1=[NH+]C=CN1CCCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012938504	1	50	0.0	-54.93	383.47	9.67	-45.26
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012938505	1	56	0.0	-69.33	430.31	10.53	-58.80
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012938506	1	52	0.0	-67.00	426.02	9.83	-57.17
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC(OC)C1	REAL300012938507	1	50	0.0	-69.99	394.81	6.32	-63.67
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012938508	1	46	0.0	-71.84	371.62	7.48	-64.36
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1	REAL300012938509	1	50	0.0	-69.84	394.76	6.31	-63.53
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012938510	1	49	0.0	-71.80	402.19	8.49	-63.31
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCCC1(CC)C(=O)[O-]	REAL300012938511	1	52	0.0	-77.73	391.12	10.41	-67.32
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012938512	1	45	0.0	-64.05	378.05	7.44	-56.61
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012938513	1	53	0.0	-66.97	411.31	6.47	-60.50
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])COC1	REAL300012938514	1	44	0.0	-67.77	354.02	4.49	-63.28
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012938515	1	49	0.0	-70.68	412.41	8.82	-61.86
CCCC1=[NH+]C=CN1CCCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1	REAL300012938516	1	56	0.0	-70.69	439.26	8.81	-61.88
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C)(C(=O)[O-])C(C)C	REAL300012938517	1	51	0.0	-70.21	382.99	7.80	-62.41
CCCC1=[NH+]C=CN1CCCNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300012938518	1	47	0.0	-78.48	366.93	9.77	-68.71
CCCC1=[NH+]C=CN1CCCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012938519	1	50	0.0	-77.25	384.07	9.41	-67.84
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300012938520	1	55	0.0	-52.22	430.58	12.59	-39.63
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012938521	1	58	0.0	-70.11	442.40	9.93	-60.18
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012938522	1	55	0.0	-70.53	443.52	10.54	-59.99
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012938523	1	55	0.0	-70.42	443.52	10.54	-59.88
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012938524	1	56	0.0	-72.02	424.36	9.38	-62.64
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012938525	1	58	0.0	-69.64	442.16	10.00	-59.64
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012938526	1	58	0.0	-69.75	442.17	10.00	-59.75
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012938527	1	56	0.0	-54.26	422.69	10.62	-43.64
CCCC1=[NH+]C=CN1CCCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012938528	1	56	0.0	-77.53	420.62	10.55	-66.98
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300012938529	1	56	0.0	-70.65	449.93	9.06	-61.59
C=CCSCC(NC(=O)NCCCN1C=C[NH+]=C1CCC)C(=O)[O-]	REAL300012938530	1	50	0.0	-67.14	419.86	8.62	-58.52
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012938531	1	53	0.0	-70.03	441.22	10.16	-59.87
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC)C(CC)C(=O)[O-]	REAL300012938532	1	51	0.0	-71.54	388.82	10.19	-61.35
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1(OC)CCC1	REAL300012938533	1	53	0.0	-66.73	409.69	6.39	-60.34
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012938534	1	55	0.0	-73.56	424.00	9.78	-63.78
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012938535	1	56	0.0	-73.74	429.55	10.87	-62.87
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012938536	1	49	0.0	-76.79	395.03	8.28	-68.51
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300012938538	1	58	0.0	-70.69	458.45	10.74	-59.95
CCCC1=[NH+]C=CN1CCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012938539	1	46	0.0	-73.36	368.07	8.43	-64.93
CCCC1=[NH+]C=CN1CCCNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012938540	1	48	0.0	-54.60	376.90	9.47	-45.13
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012938541	1	52	0.0	-77.24	397.02	9.30	-67.94
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC)C=C1	REAL300012938542	1	56	0.0	-70.18	449.34	9.11	-61.07
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012938543	1	56	0.0	-79.35	416.24	11.56	-67.79
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012938544	1	56	0.0	-70.25	437.91	11.26	-58.99
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012938545	1	56	0.0	-75.30	440.66	9.86	-65.44
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012938546	1	52	0.0	-73.42	434.46	9.74	-63.68
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CCC(C)C)C(=O)[O-]	REAL300012938547	1	54	0.0	-69.55	422.68	8.81	-60.74
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012938548	1	53	0.0	-54.52	407.71	10.14	-44.38
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012938549	1	53	0.0	-66.97	411.31	6.47	-60.50
CCCC1=[NH+]C=CN1CCCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-]	REAL300012938550	1	50	0.0	-73.27	404.15	9.83	-63.44
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012938551	1	53	0.0	-72.79	400.15	9.32	-63.47
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012938552	1	50	0.0	-74.78	384.61	8.68	-66.10
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012938553	1	53	0.0	-72.79	405.82	9.07	-63.72
CCCC1=[NH+]C=CN1CCCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012938554	1	55	0.0	-68.81	431.09	11.80	-57.01
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012938555	1	59	0.0	-54.39	436.76	11.12	-43.27
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012938556	1	52	0.0	-70.78	398.54	8.23	-62.55
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300012938557	1	49	0.0	-70.75	392.07	5.98	-64.77
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C	REAL300012938558	1	49	0.0	-75.79	385.09	8.48	-67.31
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012938559	1	52	0.0	-57.19	419.04	11.55	-45.64
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012938560	1	52	0.0	-54.54	400.69	9.45	-45.09
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012938561	1	49	0.0	-75.37	383.01	9.74	-65.63
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012938562	1	46	0.0	-78.44	372.49	8.78	-69.66
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012938563	1	52	0.0	-67.00	426.02	9.83	-57.17
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012938564	1	49	0.0	-70.00	411.32	8.67	-61.33
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012938565	1	49	0.0	-68.28	390.06	9.32	-58.96
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012938566	1	53	0.0	-73.61	425.25	9.47	-64.14
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012938567	1	49	0.0	-70.00	411.32	8.67	-61.33
CCCC1=[NH+]C=CN1CCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012938568	1	53	0.0	-77.92	399.72	10.03	-67.89
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CCCOC)C(=O)[O-]	REAL300012938569	1	52	0.0	-68.99	417.28	6.58	-62.41
CCCC1=[NH+]C=CN1CCCNC(=O)N(C)C(CCC)C(=O)[O-]	REAL300012938570	1	51	0.0	-66.29	393.99	9.66	-56.63
CCCC1=[NH+]C=CN1CCCNC(=O)NC(COCC)C(=O)[O-]	REAL300012938571	1	49	0.0	-70.90	395.34	5.94	-64.96
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012938572	1	54	0.0	-69.57	412.70	9.19	-60.38
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012938573	1	53	0.0	-72.14	412.84	7.28	-64.86
CCCC1=[NH+]C=CN1CCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012938574	1	53	0.0	-72.27	416.19	9.99	-62.28
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-]	REAL300012938575	1	50	0.0	-76.94	383.86	8.21	-68.73
CCCC1=[NH+]C=CN1CCCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012938576	1	52	0.0	-68.36	403.49	9.63	-58.73
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CCC#N)C(=O)[O-]	REAL300012938577	1	46	0.0	-69.97	382.14	7.25	-62.72
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012938578	1	55	0.0	-73.64	450.17	10.05	-63.59
CCCC1=[NH+]C=CN1CCCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012938579	1	49	0.0	-58.79	395.04	9.45	-49.34
CCCC1=[NH+]C=CN1CCCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012938580	1	60	0.0	-77.17	434.09	10.22	-66.95
CCCC1=[NH+]C=CN1CCCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012938581	1	51	0.0	-70.07	432.08	8.46	-61.61
CCCC1=[NH+]C=CN1CCCNC(=O)N1C[C@H](OCC)C[C@H]1C(=O)[O-]	REAL300012938582	1	53	0.0	-76.24	416.70	8.33	-67.91
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCNC(=O)C2CCC2)CC1	REAL300012938711	0	57	0.0	-63.86	433.89	4.60	-59.26
CC1=CC=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1C	REAL300012939546	0	56	0.0	-62.84	426.02	8.79	-54.05
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2C3C4CC2CC43)CC1	REAL300012939750	0	52	0.0	-59.90	382.35	7.58	-52.32
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2C[C@H]3OC(=O)C[C@@H]23)CC1	REAL300012940222	0	51	0.0	-65.93	394.34	6.07	-59.86
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCN2CCCNC2=O)CC1	REAL300012940493	0	59	0.0	-69.65	444.12	4.54	-65.11
C#CCN1C=C(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012941217	0	49	0.0	-62.88	389.40	6.15	-56.73
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC3=NC=CC=C32)CC1	REAL300012941472	0	56	0.0	-64.95	419.67	7.06	-57.89
CC=CC=CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012941958	0	51	0.0	-58.68	395.84	7.01	-51.67
CC(C)C[C@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942016	0	51	0.0	-68.07	398.44	8.82	-59.25
C=CCOCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942017	0	50	0.0	-70.04	407.28	7.37	-62.67
C=CC(C)C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942018	0	49	0.0	-63.75	392.20	8.73	-55.02
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCOCC1	REAL300012942019	0	53	0.0	-71.42	404.59	7.43	-63.99
COC1CCN(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012942020	0	53	0.0	-77.86	394.53	8.71	-69.15
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCCOC1	REAL300012942021	0	53	0.0	-63.49	397.92	6.47	-57.02
CC1CCN(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300012942022	0	52	0.0	-77.04	378.02	9.96	-67.08
CCCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942023	0	48	0.0	-43.04	378.16	10.08	-32.96
CC(C(=O)[O-])N(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCC1	REAL300012942024	0	52	0.0	-50.00	389.55	10.30	-39.70
CCCN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(COC)C(=O)[O-]	REAL300012942025	0	55	0.0	-66.58	412.43	9.56	-57.02
CCCN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(CC)C(=O)[O-]	REAL300012942026	0	54	0.0	-48.80	414.15	11.63	-37.17
CC(C)C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942027	0	48	0.0	-64.71	377.70	8.16	-56.55
O=C([O-])C1CCCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942028	0	49	0.0	-77.83	369.35	10.75	-67.08
O=C([O-])C1CSCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942029	0	47	0.0	-75.43	364.31	9.66	-65.77
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCCCC1	REAL300012942030	0	52	0.0	-73.29	388.96	9.79	-63.50
O=C([O-])C1CCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942031	0	46	0.0	-70.93	359.38	9.50	-61.43
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCCC1	REAL300012942032	0	49	0.0	-68.60	373.87	8.67	-59.93
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCCCCC1	REAL300012942033	0	55	0.0	-74.63	394.62	10.47	-64.16
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942034	0	52	0.0	-70.78	419.09	10.59	-60.19
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942035	0	52	0.0	-42.94	415.66	12.33	-30.61
O=C([O-])[C@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012942036	0	49	0.0	-68.41	395.67	9.68	-58.73
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012942037	0	49	0.0	-64.79	396.19	9.67	-55.12
CCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942038	0	45	0.0	-67.82	360.42	7.64	-60.18
CC(C)C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942039	0	48	0.0	-64.71	377.70	8.16	-56.55
CN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942040	0	42	0.0	-67.47	336.79	8.39	-59.08
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942041	0	52	0.0	-70.78	419.09	10.59	-60.19
CC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942042	0	42	0.0	-58.00	339.14	6.52	-51.48
CCC(C)C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942043	0	51	0.0	-67.96	393.77	8.81	-59.15
CN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942044	0	42	0.0	-67.47	336.79	8.39	-59.08
O=C([O-])C1CCCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942045	0	49	0.0	-77.83	369.35	10.75	-67.08
CCCC(C)(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942046	0	51	0.0	-64.14	386.30	8.70	-55.44
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942047	0	48	0.0	-44.07	366.22	9.61	-34.46
O=C([O-])CN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CC1	REAL300012942048	0	46	0.0	-53.26	358.52	9.98	-43.28
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942049	0	46	0.0	-42.86	369.47	9.89	-32.97
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942050	0	51	0.0	-42.92	392.82	10.60	-32.32
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942051	0	53	0.0	-78.36	407.45	12.78	-65.58
CC(C)(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942052	0	45	0.0	-55.23	351.41	6.95	-48.28
CC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)(C(=O)[O-])C1CC1	REAL300012942053	0	49	0.0	-65.39	374.21	8.63	-56.76
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1=CC=CS1	REAL300012942054	0	46	0.0	-63.50	387.25	8.75	-54.75
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCCCC1	REAL300012942055	0	52	0.0	-73.29	388.96	9.79	-63.50
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942056	0	48	0.0	-44.07	366.22	9.61	-34.46
CCCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942057	0	48	0.0	-43.04	378.16	10.08	-32.96
CCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942058	0	45	0.0	-67.22	354.94	9.29	-57.93
CC[C@H](C)[C@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942059	0	51	0.0	-67.85	390.16	8.44	-59.41
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCCC1	REAL300012942060	0	49	0.0	-68.60	373.87	8.67	-59.93
CCC(C)(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942061	0	48	0.0	-63.92	364.80	7.94	-55.98
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC2=CC=CC=C2C1	REAL300012942062	0	53	0.0	-70.12	413.56	10.85	-59.27
CC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012942063	0	52	0.0	-66.28	404.75	10.40	-55.88
C[C@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942064	0	42	0.0	-57.38	338.58	6.51	-50.87
CCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942065	0	45	0.0	-67.22	354.94	9.29	-57.93
CCCCCCC(C)(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942066	0	60	0.0	-64.25	450.79	11.03	-53.22
C[C@@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942067	0	42	0.0	-56.53	339.06	6.44	-50.09
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC1	REAL300012942068	0	43	0.0	-73.73	338.31	6.77	-66.96
O=C([O-])C1COCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942069	0	47	0.0	-75.47	355.71	7.27	-68.20
CN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1(C(=O)[O-])CCCCC1	REAL300012942070	0	55	0.0	-71.55	396.95	11.11	-60.44
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CC1	REAL300012942071	0	46	0.0	-66.95	367.49	7.98	-58.97
CN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012942072	0	52	0.0	-63.00	408.26	11.56	-51.44
COCCN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942073	0	49	0.0	-43.58	388.04	8.51	-35.07
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCC2=CC=CC=C21	REAL300012942074	0	53	0.0	-69.44	411.51	10.71	-58.73
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942075	0	46	0.0	-73.65	363.84	8.52	-65.13
O=C([O-])[C@H]1CCCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942076	0	49	0.0	-74.78	370.64	10.34	-64.44
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942077	0	45	0.0	-62.09	344.01	7.49	-54.60
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942078	0	46	0.0	-74.58	352.71	8.47	-66.11
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCC1	REAL300012942079	0	46	0.0	-73.42	360.57	8.32	-65.10
C=CCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942080	0	46	0.0	-68.11	373.94	8.04	-60.07
CC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942081	0	49	0.0	-70.55	375.33	10.04	-60.51
O=C([O-])C1CCCCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942082	0	52	0.0	-71.27	377.80	9.76	-61.51
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CC1	REAL300012942083	0	46	0.0	-66.95	367.49	7.98	-58.97
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942084	0	45	0.0	-63.82	351.69	8.64	-55.18
CCCCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942085	0	51	0.0	-68.28	403.66	9.13	-59.15
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942086	0	49	0.0	-70.71	380.58	9.39	-61.32
O=C([O-])CN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCCC1	REAL300012942087	0	52	0.0	-42.61	388.33	9.96	-32.65
COCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942088	0	46	0.0	-69.17	372.52	5.82	-63.35
CCCCCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942089	0	54	0.0	-67.91	424.92	9.96	-57.95
CCC1CCC(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012942090	0	58	0.0	-67.81	423.04	10.33	-57.48
O=C([O-])CN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCOCC1	REAL300012942091	0	53	0.0	-42.50	401.44	9.22	-33.28
CN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1(C(=O)[O-])CCCC1	REAL300012942092	0	52	0.0	-70.60	386.28	10.47	-60.13
CC(C(=O)[O-])N(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CC1	REAL300012942093	0	49	0.0	-52.79	370.63	8.97	-43.82
CCC(C(=O)[O-])N(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CC1	REAL300012942094	0	52	0.0	-67.33	385.42	10.18	-57.15
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1=CC=CC=C1F	REAL300012942095	0	49	0.0	-71.94	400.05	9.77	-62.17
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942096	0	53	0.0	-53.06	410.92	12.17	-40.89
O=C([O-])C(CC1CCCCC1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942097	0	58	0.0	-65.62	434.12	9.85	-55.77
CC1=CC=C(C(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300012942098	0	52	0.0	-65.91	411.38	9.41	-56.50
O=C([O-])C(CC(F)(F)F)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942099	0	45	0.0	-61.47	376.35	8.35	-53.12
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCSCC1	REAL300012942100	0	50	0.0	-66.15	381.19	8.47	-57.68
COCC(C)(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942101	0	49	0.0	-68.62	383.04	7.23	-61.39
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942102	0	52	0.0	-65.49	403.66	8.98	-56.51
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942103	0	51	0.0	-42.92	392.82	10.60	-32.32
O=C([O-])CN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CC1	REAL300012942104	0	46	0.0	-53.26	358.52	9.98	-43.28
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942105	0	48	0.0	-43.60	396.29	10.46	-33.14
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCOC1	REAL300012942106	0	47	0.0	-64.43	365.13	6.09	-58.34
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCCCC1	REAL300012942107	0	55	0.0	-70.56	414.39	9.78	-60.78
CN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(COC1CCC1)C(=O)[O-]	REAL300012942108	0	56	0.0	-62.25	430.12	10.47	-51.78
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCOCC1	REAL300012942109	0	50	0.0	-71.93	374.94	6.29	-65.64
C=CCCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942110	0	49	0.0	-67.94	394.73	8.96	-58.98
O=C([O-])C(CF)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942111	0	42	0.0	-55.22	342.76	6.55	-48.67
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942112	0	45	0.0	-63.82	351.69	8.64	-55.18
CCC(CC)(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942113	0	51	0.0	-69.48	381.19	8.84	-60.64
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942114	0	51	0.0	-42.46	389.65	10.93	-31.53
CCC(COC)(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942115	0	52	0.0	-74.35	399.49	8.15	-66.20
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942116	0	55	0.0	-65.82	423.32	9.64	-56.18
O=C([O-])C(CC1CC1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942117	0	49	0.0	-68.26	391.37	9.10	-59.16
COCCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942118	0	49	0.0	-68.86	394.34	6.64	-62.22
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942119	0	54	0.0	-66.58	410.86	11.06	-55.52
O=C([O-])C(CC(F)F)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942120	0	45	0.0	-68.38	372.77	7.92	-60.46
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942121	0	55	0.0	-78.63	411.19	11.89	-66.74
CCCN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012942122	0	51	0.0	-48.73	395.48	10.50	-38.23
O=C([O-])C(CCF)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942123	0	45	0.0	-67.34	367.01	7.78	-59.56
COC1(CC(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012942124	0	56	0.0	-67.19	430.73	8.91	-58.28
O=C([O-])CN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCOCC1	REAL300012942125	0	53	0.0	-42.50	401.44	9.22	-33.28
O=C([O-])CN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCCCC1	REAL300012942126	0	55	0.0	-51.42	411.83	11.57	-39.85
C[C@H]1CC[C@@](NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300012942127	0	55	0.0	-67.71	407.66	9.50	-58.21
CC(CCF)(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942128	0	48	0.0	-61.27	371.39	8.08	-53.19
O=C([O-])C1C2=C(CCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)OC=C2	REAL300012942129	0	50	0.0	-49.40	393.65	10.19	-39.21
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942130	0	46	0.0	-65.17	376.62	8.68	-56.49
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942131	0	45	0.0	-64.36	350.11	8.48	-55.88
CC1(C)CCCC(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012942132	0	58	0.0	-74.96	417.75	10.69	-64.27
O=C([O-])C12CC(C1)CN2C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942133	0	47	0.0	-78.25	365.99	10.32	-67.93
COC1CN(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C(C)(C(=O)[O-])C1	REAL300012942134	0	53	0.0	-70.15	409.73	8.94	-61.21
O=C([O-])C(CC1CCCOC1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942135	0	56	0.0	-67.43	431.81	8.47	-58.96
CC(C)(C)[C@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942136	0	51	0.0	-69.64	391.37	8.61	-61.03
C=C(Cl)CC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942137	0	46	0.0	-63.36	389.13	8.70	-54.66
C=C(C)CC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942138	0	49	0.0	-69.05	393.56	8.95	-60.10
O=C([O-])C12CCC(CC1)N2C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942139	0	50	0.0	-82.98	381.42	10.93	-72.05
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942140	0	46	0.0	-65.86	371.91	9.38	-56.48
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942141	0	46	0.0	-68.34	370.28	8.63	-59.71
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C1	REAL300012942142	0	47	0.0	-71.26	372.46	9.57	-61.69
O=C([O-])C(CC1CCOCC1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942143	0	56	0.0	-65.48	431.29	8.40	-57.08
CC(C)C[C@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942144	0	51	0.0	-68.07	398.44	8.82	-59.25
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCOCC1	REAL300012942145	0	53	0.0	-71.42	404.59	7.43	-63.99
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012942146	0	49	0.0	-64.79	396.19	9.67	-55.12
O=C([O-])C(CC1CC1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942147	0	49	0.0	-68.26	391.37	9.10	-59.16
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942148	0	48	0.0	-63.19	405.63	7.76	-55.43
CC(C)CCCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942149	0	57	0.0	-68.37	442.72	10.42	-57.95
O=C([O-])C(CC1CCCO1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942150	0	53	0.0	-72.18	415.43	8.04	-64.14
CSCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942151	0	46	0.0	-64.28	384.12	7.99	-56.29
COC[C@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942152	0	46	0.0	-68.24	365.75	4.87	-63.37
CC[C@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942153	0	45	0.0	-67.52	359.74	7.51	-60.01
CCC(C)CC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942154	0	54	0.0	-68.82	416.94	9.61	-59.21
C=CCCCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942155	0	52	0.0	-68.15	416.23	9.75	-58.40
O=C([O-])C1CSCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942156	0	47	0.0	-75.43	364.31	9.66	-65.77
CC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300012942157	0	52	0.0	-66.28	404.75	10.40	-55.88
O=C([O-])[C@H]1CCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942158	0	46	0.0	-73.65	363.84	8.52	-65.13
CCCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942159	0	48	0.0	-68.29	382.16	8.35	-59.94
CC(C)[C@@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942160	0	48	0.0	-68.97	376.53	8.18	-60.79
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942161	0	50	0.0	-77.62	384.69	10.41	-67.21
CCN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012942162	0	51	0.0	-71.11	380.27	10.14	-60.97
CCCN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012942163	0	51	0.0	-48.73	395.48	10.50	-38.23
O=C([O-])CN(CC(F)(F)F)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942164	0	45	0.0	-62.21	368.49	9.51	-52.70
O=C([O-])CN(CC(F)(F)F)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942165	0	45	0.0	-62.21	368.49	9.51	-52.70
CN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(C)(C)C(=O)[O-]	REAL300012942166	0	48	0.0	-71.73	365.85	9.46	-62.27
O=C([O-])[C@@H]1CCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942167	0	46	0.0	-74.58	352.71	8.47	-66.11
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942168	0	47	0.0	-73.93	371.66	5.89	-68.04
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942169	0	53	0.0	-41.90	407.21	11.53	-30.37
CCC[C@@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942170	0	48	0.0	-64.17	382.07	8.27	-55.90
O=C([O-])[C@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012942171	0	49	0.0	-68.41	395.67	9.68	-58.73
C=CCCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942172	0	49	0.0	-67.94	394.73	8.96	-58.98
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942173	0	48	0.0	-68.87	398.97	6.60	-62.27
CN1CC(C(=O)[O-])N(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC1=O	REAL300012942174	0	50	0.0	-66.95	379.88	7.49	-59.46
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942175	0	49	0.0	-75.26	376.39	10.04	-65.22
CC(C)[C@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942176	0	48	0.0	-68.48	373.27	7.82	-60.66
O=C([O-])[C@@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1=CC=CC=C1	REAL300012942177	0	49	0.0	-67.55	396.10	9.60	-57.95
CC(CN1C=CC=N1)(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942178	0	52	0.0	-67.19	403.75	7.99	-59.20
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942179	0	45	0.0	-64.36	350.11	8.48	-55.88
CCC[C@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942180	0	48	0.0	-68.26	382.07	8.26	-60.00
CCN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(C)C(=O)[O-]	REAL300012942181	0	48	0.0	-64.04	364.10	9.28	-54.76
O=C([O-])CN(C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCCC1	REAL300012942182	0	52	0.0	-42.61	388.33	9.96	-32.65
CC(CN(C)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942183	0	48	0.0	-73.78	372.14	9.30	-64.48
CC[C@H](C)[C@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942184	0	51	0.0	-67.85	390.16	8.44	-59.41
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942185	0	48	0.0	-61.69	371.09	9.56	-52.13
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC(CO)C1	REAL300012942186	0	50	0.0	-70.92	387.38	4.56	-66.36
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942187	0	58	0.0	-65.74	443.31	8.96	-56.78
CC1CCC(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012942188	0	52	0.0	-72.93	395.56	9.34	-63.59
CC1(C)CCCC1(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942189	0	55	0.0	-68.31	405.01	10.07	-58.24
COCCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942190	0	49	0.0	-68.86	394.34	6.64	-62.22
CC1(C)CC(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012942191	0	52	0.0	-73.92	391.32	8.98	-64.94
CC1(C(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C(=O)[O-])CC1	REAL300012942192	0	49	0.0	-65.43	382.03	8.84	-56.59
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942193	0	58	0.0	-69.83	444.21	8.91	-60.92
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942194	0	47	0.0	-77.82	363.39	4.95	-72.87
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCOC1	REAL300012942195	0	50	0.0	-68.91	386.26	6.64	-62.27
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942196	0	50	0.0	-76.26	380.37	10.63	-65.63
O=C([O-])C12COC(CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C2	REAL300012942197	0	48	0.0	-75.86	367.21	7.21	-68.65
CC1CCC(C(=O)[O-])N(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C1	REAL300012942198	0	52	0.0	-77.31	385.56	10.43	-66.88
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942199	0	56	0.0	-69.39	428.88	11.38	-58.01
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCC1	REAL300012942200	0	49	0.0	-68.57	384.35	8.65	-59.92
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCCCC1	REAL300012942201	0	55	0.0	-70.56	414.39	9.78	-60.78
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCC1	REAL300012942202	0	49	0.0	-68.57	384.35	8.65	-59.92
CC1CCN(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C1C(=O)[O-]	REAL300012942203	0	49	0.0	-76.04	374.11	8.78	-67.26
C=CCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942204	0	46	0.0	-68.11	373.94	8.04	-60.07
O=C([O-])C(CC1CCCCO1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942205	0	56	0.0	-72.43	434.78	8.68	-63.75
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942206	0	56	0.0	-43.68	406.65	11.31	-32.37
CC1(C)CC(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)(C(=O)[O-])CCO1	REAL300012942207	0	56	0.0	-74.43	409.85	8.65	-65.78
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942208	0	50	0.0	-46.24	382.17	10.52	-35.72
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942209	0	56	0.0	-69.39	428.88	11.38	-58.01
COC1CC(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012942210	0	50	0.0	-73.67	388.58	6.25	-67.42
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC(F)(F)C1	REAL300012942211	0	46	0.0	-69.96	363.55	7.31	-62.65
CO[C@H]1C[C@](NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)(C(=O)[O-])C1	REAL300012942212	0	50	0.0	-65.76	392.19	7.18	-58.58
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942213	0	52	0.0	-78.19	389.69	11.15	-67.04
O=C([O-])C(CC(F)(F)F)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942214	0	45	0.0	-61.47	376.35	8.35	-53.12
O=C([O-])C(CC1CCOC1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942215	0	53	0.0	-64.73	412.38	7.24	-57.49
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)COC1	REAL300012942216	0	44	0.0	-66.54	346.09	4.30	-62.24
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942217	0	49	0.0	-66.05	410.96	9.65	-56.40
CC(C)C(C)(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942218	0	51	0.0	-64.62	379.72	8.57	-56.05
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942219	0	47	0.0	-76.18	370.66	9.94	-66.24
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942220	0	50	0.0	-73.43	386.51	9.44	-63.99
O=C([O-])C(CC1CCCCC1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942221	0	58	0.0	-65.62	434.12	9.85	-55.77
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CC2CCC1C2	REAL300012942222	0	56	0.0	-64.48	421.02	10.17	-54.31
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942223	0	58	0.0	-69.30	439.58	10.86	-58.44
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942224	0	58	0.0	-68.33	434.12	9.85	-58.48
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942225	0	56	0.0	-35.11	414.64	10.47	-24.64
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942226	0	56	0.0	-73.99	418.12	11.10	-62.89
C=CCSCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942227	0	50	0.0	-64.23	418.39	9.45	-54.78
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942228	0	51	0.0	-64.97	380.82	10.09	-54.88
COC1(C(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C(=O)[O-])CCC1	REAL300012942229	0	53	0.0	-63.79	401.04	6.23	-57.56
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC(C(F)F)C1	REAL300012942230	0	49	0.0	-72.80	387.35	8.07	-64.73
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942232	0	46	0.0	-68.34	370.28	8.63	-59.71
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942233	0	48	0.0	-36.02	368.83	9.91	-26.11
CC1(C)CCN(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C1C(=O)[O-]	REAL300012942234	0	52	0.0	-74.06	388.88	9.12	-64.94
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942235	0	56	0.0	-77.17	409.42	11.26	-65.91
CC(C)CCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942236	0	54	0.0	-68.66	421.23	9.64	-59.02
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942237	0	53	0.0	-42.43	400.46	9.91	-32.52
O=C([O-])C(CC1CCOC1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942238	0	53	0.0	-64.73	412.38	7.24	-57.49
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C1	REAL300012942239	0	50	0.0	-72.91	400.23	10.17	-62.74
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCCC2CC21	REAL300012942240	0	53	0.0	-72.33	397.55	10.19	-62.14
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCC2CC21	REAL300012942241	0	50	0.0	-74.67	383.07	9.44	-65.23
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC2(CCC2)C1	REAL300012942242	0	53	0.0	-67.72	404.37	9.82	-57.90
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCCC1	REAL300012942243	0	52	0.0	-69.67	396.87	9.10	-60.57
CO[C@H](C)[C@H](NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942244	0	49	0.0	-65.06	389.49	6.84	-58.22
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942245	0	49	0.0	-72.18	383.56	9.24	-62.94
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942246	0	52	0.0	-42.94	415.66	12.33	-30.61
CC1(C)CC(C(=O)[O-])N(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C1	REAL300012942247	0	52	0.0	-46.51	398.07	10.30	-36.21
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942248	0	49	0.0	-76.01	375.31	9.65	-66.36
O=C([O-])C1N(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCC1(F)F	REAL300012942249	0	46	0.0	-79.42	364.42	8.61	-70.81
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942250	0	49	0.0	-65.43	409.91	9.51	-55.92
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942251	0	49	0.0	-67.84	388.53	10.08	-57.76
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942252	0	49	0.0	-65.43	409.91	9.51	-55.92
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942253	0	53	0.0	-78.18	397.71	10.85	-67.33
COCCCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942254	0	52	0.0	-67.12	415.83	7.42	-59.70
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942255	0	51	0.0	-64.80	393.14	10.37	-54.43
CCOCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942256	0	49	0.0	-69.26	394.24	6.84	-62.42
CC(C)(C)CC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942257	0	54	0.0	-65.06	411.53	9.97	-55.09
O=C([O-])C(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C1CCCCO1	REAL300012942258	0	53	0.0	-65.32	409.31	7.66	-57.66
O=C([O-])C1(NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CC2=CC=CC=C2C1	REAL300012942259	0	53	0.0	-70.12	413.56	10.85	-59.27
C[C@H]1OCCN(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)[C@@H]1C(=O)[O-]	REAL300012942260	0	50	0.0	-74.88	385.10	8.78	-66.10
N#CCCC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300012942261	0	46	0.0	-70.85	381.27	8.14	-62.71
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942262	0	49	0.0	-52.12	398.75	10.44	-41.68
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300012942263	0	45	0.0	-62.09	344.01	7.49	-54.60
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C1	REAL300012942264	0	53	0.0	-69.48	402.89	8.25	-61.23
CCC1=CC=CN=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012943258	0	55	0.0	-63.24	423.02	6.79	-56.45
C[C@@H]1CCO[C@@H]1CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012943493	0	57	0.0	-65.85	425.26	5.89	-59.96
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2=CN(C3CCCCC3)N=C2)CC1	REAL300012943778	0	60	0.0	-59.98	443.97	8.03	-51.95
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCCC23CCC3)CC1	REAL300012944514	0	63	0.0	-62.64	446.85	9.06	-53.58
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NOC3=C2CCCCC3)CC1	REAL300012944818	0	59	0.0	-68.06	443.59	7.90	-60.16
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C)(C)OCC(F)(F)F)CC1	REAL300012945133	0	56	0.0	-64.88	432.27	5.93	-58.95
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CON=C2C(C)(C)C)CC1	REAL300012945720	0	58	0.0	-62.95	437.78	7.80	-55.15
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(Cl)C(F)=C2)CC1	REAL300012946027	0	50	0.0	-64.00	413.78	7.99	-56.01
COC1=CC(C)=NC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012946843	0	58	0.0	-62.44	451.45	4.20	-58.24
CC1=CC(C)=C([C@@H](C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)=C1	REAL300012947151	0	62	0.0	-62.15	456.75	10.39	-51.76
CCC1=CSC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012947928	0	52	0.0	-66.34	418.90	5.93	-60.41
CC1=CN=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012948675	0	51	0.0	-64.07	402.53	4.32	-59.75
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOC2=CC=CC=N2)CC1	REAL300012948933	0	56	0.0	-66.24	440.14	5.20	-61.04
COC1(OC)CC(C)(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012949241	0	61	0.0	-63.96	454.69	6.19	-57.77
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2COC(C)(C)OC2)CC1	REAL300012949832	0	58	0.0	-64.40	430.84	5.34	-59.06
CCO[P@](C)(=O)CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012950675	0	59	0.0	-64.26	462.61	5.98	-58.28
CCO[P@@](C)(=O)CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012950675	1	59	0.0	-66.07	462.61	5.98	-60.09
CC(C)C[C@H](NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950807	0	48	0.0	-80.31	366.14	4.60	-75.71
C=CCOCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950808	0	47	0.0	-81.29	374.28	3.09	-78.20
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012950809	0	50	0.0	-80.03	375.88	3.32	-76.71
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012950810	0	46	0.0	-75.35	376.67	5.44	-69.91
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012950811	0	46	0.0	-75.24	386.56	5.89	-69.35
COC1CCN(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(C(=O)[O-])C1	REAL300012950812	0	50	0.0	-81.41	366.93	5.09	-76.32
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012950813	0	50	0.0	-79.90	377.46	3.37	-76.53
CC1CCN(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(C(=O)[O-])C1	REAL300012950814	0	49	0.0	-79.88	350.45	6.30	-73.58
CC1=CC(C(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300012950815	0	49	0.0	-77.57	390.70	6.02	-71.55
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012950816	0	51	0.0	-76.53	399.88	5.18	-71.35
CC1=CC(C)=CC(C(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])=C1	REAL300012950817	0	52	0.0	-77.17	406.53	6.73	-70.44
CC1=CC=C(C(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])C=C1C	REAL300012950818	0	52	0.0	-81.76	403.09	6.55	-75.21
COC1=CC=C(C(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300012950819	0	50	0.0	-78.03	408.86	5.21	-72.82
CC1=CC=CC(C(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])=C1C	REAL300012950820	0	52	0.0	-81.51	395.94	6.42	-75.09
COC1=CC=C(C(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])C=C1F	REAL300012950821	0	50	0.0	-78.40	399.06	4.73	-73.67
CC(C(=O)[O-])N(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C1CCC1	REAL300012950822	0	49	0.0	-65.35	358.31	5.87	-59.48
CCCN(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(COC)C(=O)[O-]	REAL300012950823	0	52	0.0	-78.89	385.03	5.42	-73.47
CCCN(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(CC)C(=O)[O-]	REAL300012950824	0	51	0.0	-78.45	373.59	6.88	-71.57
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012950825	0	46	0.0	-77.31	380.67	5.84	-71.47
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012950826	0	44	0.0	-84.75	337.67	6.27	-78.48
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012950827	0	49	0.0	-84.02	357.32	5.47	-78.55
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012950828	0	52	0.0	-74.46	362.30	5.61	-68.85
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012950829	0	49	0.0	-81.30	385.69	6.23	-75.07
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012950830	0	49	0.0	-68.20	384.38	8.09	-60.11
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012950831	0	46	0.0	-76.41	363.38	5.44	-70.97
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012950832	0	46	0.0	-80.50	363.69	5.30	-75.20
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012950833	0	49	0.0	-81.30	385.69	6.23	-75.07
CCC(C)C(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950834	0	48	0.0	-76.01	362.78	4.47	-71.54
CCCC(C)(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950835	0	48	0.0	-79.89	353.08	4.42	-75.47
CC(C)CN(CC(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012950836	0	48	0.0	-68.15	361.54	6.36	-61.79
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012950837	0	50	0.0	-77.62	376.20	7.93	-69.69
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012950838	0	43	0.0	-78.71	355.31	4.39	-74.32
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012950839	0	49	0.0	-84.02	357.32	5.47	-78.55
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012950840	0	49	0.0	-65.50	401.79	8.54	-56.96
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012950841	0	53	0.0	-82.06	414.09	6.39	-75.67
CC[C@H](C)[C@H](NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950842	0	48	0.0	-80.88	358.69	4.25	-76.63
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)=C1	REAL300012950843	0	57	0.0	-63.60	443.31	6.70	-56.90
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012950844	0	49	0.0	-65.69	391.47	8.09	-57.60
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012950845	0	50	0.0	-78.97	383.30	6.65	-72.32
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012950846	0	46	0.0	-80.57	374.54	5.55	-75.02
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012950847	0	49	0.0	-77.08	371.42	6.14	-70.94
CCCCCCC(C)(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950848	0	57	0.0	-74.99	417.58	6.75	-68.24
CN(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012950849	0	52	0.0	-74.05	394.81	8.19	-65.86
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012950850	0	46	0.0	-77.31	380.67	5.84	-71.47
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCOCC1C(=O)[O-]	REAL300012950851	0	44	0.0	-78.19	327.32	3.49	-74.70
CN(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300012950852	0	52	0.0	-80.38	365.27	6.56	-73.82
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012950853	0	52	0.0	-61.58	406.79	8.87	-52.71
CN(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012950854	0	49	0.0	-82.65	373.71	7.58	-75.07
COCCN(CC(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012950855	0	46	0.0	-61.81	356.76	4.62	-57.19
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012950856	0	50	0.0	-85.55	378.65	6.39	-79.16
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012950857	0	53	0.0	-83.27	419.77	6.24	-77.03
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012950858	0	49	0.0	-80.77	349.40	6.51	-74.26
CCCCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950859	0	48	0.0	-79.60	370.56	4.86	-74.74
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012950860	0	52	0.0	-61.58	406.79	8.87	-52.71
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012950861	0	49	0.0	-63.20	360.84	6.40	-56.80
CCCCCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950862	0	51	0.0	-79.54	392.06	5.64	-73.90
CCC1CCC(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)(C(=O)[O-])CC1	REAL300012950863	0	55	0.0	-70.08	388.75	5.77	-64.31
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012950864	0	50	0.0	-59.90	370.52	4.97	-54.93
CN(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300012950865	0	49	0.0	-80.68	353.28	6.10	-74.58
CCC(C(=O)[O-])N(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C1CC1	REAL300012950866	0	49	0.0	-66.56	363.28	6.61	-59.95
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012950867	0	46	0.0	-78.19	376.56	5.78	-72.41
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012950868	0	46	0.0	-81.37	368.17	5.47	-75.90
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012950869	0	50	0.0	-70.85	379.59	7.59	-63.26
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012950870	0	49	0.0	-79.14	401.10	6.68	-72.46
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012950871	0	55	0.0	-84.87	429.84	8.39	-76.48
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012950872	0	55	0.0	-75.09	407.89	6.52	-68.57
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012950873	0	52	0.0	-70.66	395.94	9.01	-61.65
CC1=CC=C(C(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])C=C1	REAL300012950874	0	49	0.0	-76.47	385.15	6.08	-70.39
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012950875	0	42	0.0	-73.27	343.25	3.93	-69.34
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012950876	0	52	0.0	-82.31	409.94	7.61	-74.70
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012950877	0	47	0.0	-74.48	353.67	4.91	-69.57
COCC(C)(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950878	0	46	0.0	-78.93	349.83	2.94	-75.99
CCOCC(C(=O)[O-])N(C)C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012950879	0	49	0.0	-76.98	370.19	4.56	-72.42
CC(C)CN(CC(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012950880	0	48	0.0	-68.15	361.54	6.36	-61.79
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012950881	0	55	0.0	-56.71	407.52	8.78	-47.93
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012950882	0	45	0.0	-60.09	365.01	6.22	-53.87
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012950883	0	44	0.0	-74.90	333.74	1.76	-73.14
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012950884	0	52	0.0	-77.03	381.54	5.46	-71.57
CN(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300012950885	0	53	0.0	-73.19	397.46	6.08	-67.11
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012950886	0	53	0.0	-87.72	402.30	9.37	-78.35
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012950887	0	47	0.0	-73.41	347.38	2.78	-70.63
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012950888	0	52	0.0	-53.47	394.54	9.13	-44.34
CCC(CC)(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950889	0	48	0.0	-75.57	348.66	4.48	-71.09
COC1=CC=C(C(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])C=C1	REAL300012950890	0	50	0.0	-80.62	393.43	4.62	-76.00
CCC(C)N(CC(=O)[O-])C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012950891	0	48	0.0	-66.24	359.14	6.52	-59.72
CCC(COC)(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950892	0	49	0.0	-79.97	366.62	3.83	-76.14
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012950893	0	52	0.0	-73.61	390.48	5.32	-68.29
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012950894	0	49	0.0	-79.54	372.55	1.24	-78.30
COCCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950895	0	46	0.0	-75.03	361.83	2.26	-72.77
CC(C)CC(C(=O)[O-])N(C)C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012950896	0	51	0.0	-77.35	376.06	6.59	-70.76
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012950897	0	42	0.0	-75.12	338.77	3.73	-71.39
CCCC1(C(=O)[O-])CCCN1C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012950898	0	52	0.0	-81.88	379.77	7.38	-74.50
CCCN(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(C)C(=O)[O-]	REAL300012950899	0	48	0.0	-63.58	358.35	6.63	-56.95
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012950900	0	52	0.0	-63.00	391.17	8.87	-54.13
CCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012950901	0	52	0.0	-79.13	405.39	7.50	-71.63
CCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012950902	0	52	0.0	-82.49	388.65	6.96	-75.53
COC1CCCC(C(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])C1	REAL300012950903	0	56	0.0	-72.49	413.69	4.65	-67.84
COC1(CC(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])CCC1	REAL300012950904	0	53	0.0	-81.70	398.88	4.52	-77.18
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012950905	0	50	0.0	-59.90	370.52	4.97	-54.93
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012950906	0	52	0.0	-63.57	378.22	7.11	-56.46
C[C@H]1CC[C@@](NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)(C(=O)[O-])CC1	REAL300012950907	0	52	0.0	-74.01	369.93	5.61	-68.40
COC1=CC=CC(C(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])=C1	REAL300012950908	0	50	0.0	-78.88	393.22	4.70	-74.18
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012950909	0	45	0.0	-71.60	338.17	3.81	-67.79
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012950910	0	47	0.0	-71.20	360.72	5.80	-65.40
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012950911	0	43	0.0	-75.42	340.60	4.98	-70.44
COC1=CC=CC([C@H](NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])=C1	REAL300012950912	0	50	0.0	-83.04	393.10	4.64	-78.40
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C1	REAL300012950913	0	52	0.0	-80.12	391.51	6.79	-73.33
COC1=CC=CC(CC(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])=C1	REAL300012950914	0	53	0.0	-79.99	414.86	5.58	-74.41
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012950915	0	55	0.0	-85.38	385.22	6.33	-79.05
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012950916	0	52	0.0	-73.86	405.74	7.02	-66.84
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012950917	0	51	0.0	-80.73	399.62	6.81	-73.92
COC1CN(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012950918	0	50	0.0	-81.26	375.70	4.46	-76.80
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012950919	0	53	0.0	-78.22	394.16	4.80	-73.42
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012950920	0	48	0.0	-81.37	358.95	4.32	-77.05
C=C(Cl)CC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950921	0	43	0.0	-79.92	356.59	4.28	-75.64
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012950922	0	47	0.0	-89.36	346.03	6.64	-82.72
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012950923	0	52	0.0	-74.43	395.41	6.57	-67.86
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012950924	0	43	0.0	-79.03	339.21	5.36	-73.67
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012950925	0	43	0.0	-78.51	331.79	5.02	-73.49
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012950926	0	53	0.0	-76.32	399.26	4.07	-72.25
CC(C)C[C@H](NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950927	0	48	0.0	-80.31	366.14	4.60	-75.71
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012950928	0	50	0.0	-80.03	375.88	3.32	-76.71
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012950929	0	46	0.0	-80.50	363.69	5.30	-75.20
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012950930	0	49	0.0	-75.92	403.02	6.34	-69.58
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012950931	0	45	0.0	-75.25	372.74	3.46	-71.79
CC(C)CCCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950932	0	54	0.0	-79.50	409.63	6.16	-73.34
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012950933	0	52	0.0	-75.10	416.11	6.67	-68.43
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012950934	0	50	0.0	-74.39	382.19	4.18	-70.21
CSCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950935	0	43	0.0	-72.63	351.27	3.67	-68.96
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012950936	0	49	0.0	-74.91	392.19	6.37	-68.54
CCC(C)CC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950937	0	51	0.0	-75.57	384.82	5.22	-70.35
C=CCCCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950938	0	49	0.0	-79.06	383.37	5.42	-73.64
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012950939	0	49	0.0	-79.22	392.22	6.38	-72.84
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012950940	0	52	0.0	-84.08	403.83	7.51	-76.57
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCSCC1C(=O)[O-]	REAL300012950941	0	44	0.0	-84.75	337.67	6.27	-78.48
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012950942	0	49	0.0	-77.08	371.42	6.14	-70.94
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012950943	0	47	0.0	-89.72	347.72	6.76	-82.96
CCN(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012950944	0	48	0.0	-83.26	352.48	6.03	-77.23
CCCN(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(C)C(=O)[O-]	REAL300012950945	0	48	0.0	-63.58	358.35	6.63	-56.95
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012950946	0	42	0.0	-71.44	340.35	5.57	-65.87
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012950947	0	42	0.0	-71.44	340.35	5.57	-65.87
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012950948	0	55	0.0	-69.03	413.71	3.57	-65.46
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012950949	0	44	0.0	-78.61	337.33	1.23	-77.38
CN1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)CC1	REAL300012950950	1	59	0.0	-68.78	438.91	3.44	-65.34
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012950951	0	50	0.0	-65.76	382.44	8.10	-57.66
C[C@H]1CC2=CC=CC=C2N(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)[C@H]1C(=O)[O-]	REAL300012950952	0	53	0.0	-70.65	390.52	8.32	-62.33
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012950953	0	51	0.0	-74.09	382.11	6.23	-67.86
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012950954	0	46	0.0	-76.41	363.38	5.44	-70.97
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012950955	0	49	0.0	-72.22	402.48	6.41	-65.81
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012950956	0	51	0.0	-81.78	404.10	5.27	-76.51
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012950957	0	45	0.0	-77.43	372.77	3.32	-74.11
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012950958	0	46	0.0	-76.29	391.91	5.12	-71.17
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012950959	0	46	0.0	-93.45	357.04	2.72	-90.73
CN1CC(C(=O)[O-])N(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)CC1=O	REAL300012950960	0	47	0.0	-73.67	353.73	4.30	-69.37
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012950961	0	46	0.0	-80.97	363.58	5.35	-75.62
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012950962	0	49	0.0	-80.75	377.40	4.74	-76.01
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012950963	0	49	0.0	-63.20	360.84	6.40	-56.80
CC[C@H](C)[C@H](NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950964	0	48	0.0	-80.88	358.69	4.25	-76.63
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012950965	0	47	0.0	-80.36	361.06	1.25	-79.11
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950966	0	55	0.0	-81.41	407.25	4.51	-76.90
CC1CCC(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)(C(=O)[O-])C1	REAL300012950967	0	49	0.0	-83.72	363.09	4.94	-78.78
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012950968	0	52	0.0	-78.68	373.35	5.72	-72.96
COCCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950969	0	46	0.0	-75.03	361.83	2.26	-72.77
CN(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012950970	0	52	0.0	-74.05	394.81	8.19	-65.86
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012950971	0	49	0.0	-75.69	363.71	5.45	-70.24
CC1CCC(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)(C(=O)[O-])C2=CC=CC=C21	REAL300012950972	0	56	0.0	-87.16	413.03	7.70	-79.46
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950973	0	55	0.0	-76.22	411.25	4.57	-71.65
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012950974	0	44	0.0	-86.99	336.95	1.66	-85.33
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012950975	0	54	0.0	-70.55	406.28	8.76	-61.79
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012950976	0	47	0.0	-72.67	358.78	2.12	-70.55
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012950977	0	47	0.0	-84.25	347.42	6.06	-78.19
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012950978	0	50	0.0	-88.15	396.10	5.40	-82.75
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012950979	0	45	0.0	-79.26	339.54	3.83	-75.43
CC1CCC(C(=O)[O-])N(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C1	REAL300012950980	0	49	0.0	-86.21	353.85	6.96	-79.25
CC(C1=CC=CC=C1)C(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012950981	0	52	0.0	-79.91	401.33	6.62	-73.29
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012950982	0	53	0.0	-74.92	396.06	7.05	-67.87
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012950983	0	59	0.0	-72.95	420.01	5.87	-67.08
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012950984	0	52	0.0	-77.03	381.54	5.46	-71.57
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012950985	0	53	0.0	-79.92	400.06	4.99	-74.93
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012950986	0	53	0.0	-54.21	373.86	6.92	-47.29
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012950987	0	53	0.0	-78.37	377.47	4.31	-74.06
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012950988	0	52	0.0	-77.45	424.37	7.53	-69.92
CC1=CC=CC2=C1CCN(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C2C(=O)[O-]	REAL300012950989	0	53	0.0	-92.02	391.19	8.78	-83.24
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012950990	0	47	0.0	-54.79	348.38	5.97	-48.82
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012950991	0	53	0.0	-74.92	396.06	7.05	-67.87
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012950992	0	49	0.0	-77.32	392.35	6.40	-70.92
COC1CC(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)(C(=O)[O-])C1	REAL300012950993	0	47	0.0	-86.66	362.39	2.92	-83.74
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012950994	0	43	0.0	-70.75	340.33	4.03	-66.72
CO[C@H]1C[C@](NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)(C(=O)[O-])C1	REAL300012950995	0	47	0.0	-71.46	359.02	2.65	-68.81
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012950996	0	46	0.0	-68.84	367.04	4.53	-64.31
CCC1(C(=O)[O-])CCCN1C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012950997	0	49	0.0	-81.39	356.00	6.42	-74.97
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012950998	0	42	0.0	-73.27	343.25	3.93	-69.34
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012950999	0	50	0.0	-71.56	377.60	3.99	-67.57
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012951000	0	46	0.0	-73.89	378.15	5.32	-68.57
COCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012951001	0	53	0.0	-76.46	404.95	5.33	-71.13
CC(C)C(C)(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012951002	0	48	0.0	-75.18	346.50	4.29	-70.89
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012951003	0	47	0.0	-82.79	349.52	5.94	-76.85
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012951004	0	52	0.0	-63.00	391.17	8.87	-54.13
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012951005	0	55	0.0	-75.09	407.89	6.52	-68.57
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012951006	0	52	0.0	-80.36	408.01	7.09	-73.27
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012951007	0	52	0.0	-75.68	408.61	7.14	-68.54
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012951008	0	53	0.0	-77.06	388.42	5.88	-71.18
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012951009	0	55	0.0	-74.98	408.27	6.49	-68.49
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012951010	0	55	0.0	-80.79	407.77	6.50	-74.29
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012951011	0	53	0.0	-64.99	389.10	7.08	-57.91
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012951012	0	53	0.0	-78.74	384.66	6.83	-71.91
COC1=CC=C(CC(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])C=C1	REAL300012951013	0	53	0.0	-77.66	415.73	5.57	-72.09
C=CCSCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012951014	0	47	0.0	-76.94	385.55	5.12	-71.82
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012951015	0	50	0.0	-75.48	406.83	6.72	-68.76
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012951016	0	53	0.0	-86.52	418.30	6.48	-80.04
CCC(C(=O)[O-])N(CC)C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012951017	0	48	0.0	-76.77	354.85	6.65	-70.12
COC1(C(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])CCC1	REAL300012951018	0	50	0.0	-72.10	372.82	2.68	-69.42
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012951019	0	52	0.0	-73.73	381.24	5.35	-68.38
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012951020	0	53	0.0	-83.96	394.89	7.42	-76.54
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012951021	0	46	0.0	-74.89	359.05	4.70	-70.19
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012951023	0	58	0.0	-80.62	440.14	7.64	-72.98
CC(C)C1=CC=C(C(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])C=C1	REAL300012951024	0	55	0.0	-80.24	423.94	7.34	-72.90
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012951025	0	43	0.0	-78.51	331.79	5.02	-73.49
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012951026	0	45	0.0	-61.32	341.04	5.69	-55.63
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012951027	0	49	0.0	-82.97	362.69	5.82	-77.15
CCOC1=CC=C(C(NC(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C(=O)[O-])C=C1	REAL300012951028	0	53	0.0	-80.13	415.07	5.63	-74.50
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012951029	0	53	0.0	-81.79	380.99	7.81	-73.98
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012951030	0	53	0.0	-76.74	405.33	6.90	-69.84
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012951031	0	53	0.0	-80.86	406.03	6.40	-74.46
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012951032	0	49	0.0	-83.54	399.60	6.35	-77.19
CC(C)CCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012951033	0	51	0.0	-74.46	388.48	5.33	-69.13
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012951034	0	50	0.0	-53.99	372.33	6.40	-47.59
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012951035	0	50	0.0	-71.56	377.60	3.99	-67.57
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C1	REAL300012951036	0	47	0.0	-83.93	370.56	6.17	-77.76
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012951037	0	50	0.0	-78.01	365.86	5.84	-72.17
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012951038	0	47	0.0	-80.11	350.09	5.23	-74.88
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012951039	0	50	0.0	-78.42	371.53	5.59	-72.83
CN(C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012951040	0	52	0.0	-74.30	396.83	8.32	-65.98
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012951041	0	56	0.0	-54.12	401.28	7.38	-46.74
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012951042	0	49	0.0	-75.55	364.04	4.83	-70.72
CO[C@H](C)[C@H](NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012951043	0	46	0.0	-81.33	357.45	2.53	-78.80
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012951044	0	49	0.0	-68.20	384.38	8.09	-60.11
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012951045	0	56	0.0	-80.86	437.91	8.81	-72.05
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012951046	0	49	0.0	-65.60	367.29	5.93	-59.67
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012951047	0	50	0.0	-66.82	390.88	7.75	-59.07
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012951048	0	46	0.0	-83.16	348.74	6.32	-76.84
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012951049	0	43	0.0	-82.12	337.75	5.15	-76.97
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012951050	0	49	0.0	-77.32	392.35	6.40	-70.92
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012951051	0	46	0.0	-75.65	377.12	5.18	-70.47
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012951052	0	46	0.0	-78.73	356.16	5.95	-72.78
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012951053	0	50	0.0	-79.99	390.75	6.02	-73.97
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012951054	0	54	0.0	-80.14	412.56	7.33	-72.81
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012951055	0	46	0.0	-75.65	377.12	5.18	-70.47
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012951056	0	50	0.0	-79.40	363.28	5.99	-73.41
COCCCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012951057	0	49	0.0	-78.68	382.74	3.15	-75.53
CCCC(C(=O)[O-])N(C)C(=O)NC[C@@H]1COC[C@H]1[NH+](C)C	REAL300012951058	0	48	0.0	-72.09	360.27	6.06	-66.03
CCOCC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300012951059	0	46	0.0	-76.58	361.87	2.41	-74.17
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012951060	0	51	0.0	-74.99	378.40	5.70	-69.29
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012951061	0	50	0.0	-78.02	377.66	3.62	-74.40
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012951062	0	50	0.0	-78.97	383.30	6.65	-72.32
C[C@H]1OCCN(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012951063	0	47	0.0	-86.05	349.56	4.70	-81.35
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012951064	0	49	0.0	-72.78	367.89	5.94	-66.84
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012951065	0	60	0.0	-83.86	419.07	7.32	-76.54
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012951066	0	52	0.0	-80.06	416.14	6.51	-73.55
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012951067	0	46	0.0	-62.13	360.44	5.99	-56.14
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012951068	0	57	0.0	-83.97	398.31	6.76	-77.21
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012951069	0	48	0.0	-76.00	397.81	4.98	-71.02
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC[C@@H]2COC[C@H]2[NH+](C)C)C1	REAL300012951070	0	50	0.0	-86.54	382.41	4.83	-81.71
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CC(C#N)(C2)CO3)CC1	REAL300012951197	0	53	0.0	-60.35	412.05	5.14	-55.21
CC(C)C[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951315	0	59	0.0	-65.37	442.26	8.37	-57.00
C=CC(C)C(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951316	0	57	0.0	-78.13	444.29	7.76	-70.37
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951317	0	56	0.0	-70.28	432.18	9.19	-61.09
CC(C)C(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951318	0	56	0.0	-78.02	423.88	6.92	-71.10
C[NH+]1CCN(C(CNC(=O)N2CCCCC2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951319	0	57	0.0	-83.27	412.40	9.61	-73.66
C[NH+]1CCN(C(CNC(=O)N2CCCC2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951320	0	54	0.0	-83.43	401.30	8.33	-75.10
C[NH+]1CCN(C(CNC(=O)NC2(C(=O)[O-])CCCC2)C2=CC=C(F)C=C2)CC1	REAL300012951321	0	57	0.0	-78.47	428.13	7.76	-70.71
C[NH+]1CCN(C(CNC(=O)NCC(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951322	0	47	0.0	-68.09	370.13	4.77	-63.32
CCC(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951323	0	53	0.0	-78.33	411.92	6.62	-71.71
CC(C)C(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951324	0	56	0.0	-78.02	423.88	6.92	-71.10
CN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951325	0	50	0.0	-73.91	388.87	7.45	-66.46
CC(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951326	0	50	0.0	-67.95	390.93	5.59	-62.36
CCC(C)C(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951327	0	59	0.0	-75.44	443.40	7.59	-67.85
CN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951328	0	50	0.0	-73.91	388.87	7.45	-66.46
C[NH+]1CCN(C(CNC(=O)N2CCCCC2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951329	0	57	0.0	-83.27	412.40	9.61	-73.66
CCCC(C)(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951330	0	59	0.0	-74.04	438.39	7.74	-66.30
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951331	0	56	0.0	-73.92	418.72	9.48	-64.44
C[NH+]1CCN(C(CNC(=O)N(CC(=O)[O-])C2CC2)C2=CC=C(F)C=C2)CC1	REAL300012951332	0	54	0.0	-79.46	406.15	8.72	-70.74
C=CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951333	0	54	0.0	-70.09	423.49	8.99	-61.10
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951334	0	59	0.0	-70.30	446.84	9.71	-60.59
C[NH+]1CCN(C(CNC(=O)NC(C)(C)C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951335	0	53	0.0	-67.61	403.50	5.99	-61.62
C[NH+]1CCN(C(CNC(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC=C(F)C=C2)CC1	REAL300012951336	0	57	0.0	-80.18	420.39	7.21	-72.97
CC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951337	0	56	0.0	-73.92	418.72	9.48	-64.44
CCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951338	0	56	0.0	-70.28	432.18	9.19	-61.09
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951339	0	53	0.0	-73.80	410.69	8.42	-65.38
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951340	0	59	0.0	-73.04	438.00	7.04	-66.00
C[NH+]1CCN(C(CNC(=O)NC2(C(=O)[O-])CCCC2)C2=CC=C(F)C=C2)CC1	REAL300012951341	0	57	0.0	-78.47	428.13	7.76	-70.71
CCC(C)(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951342	0	56	0.0	-73.77	416.89	6.99	-66.78
C[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951343	0	50	0.0	-57.09	381.41	5.93	-51.16
CCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951344	0	53	0.0	-73.80	410.69	8.42	-65.38
C[C@@H](NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951345	0	50	0.0	-65.63	385.24	5.02	-60.61
C[NH+]1CCN(C(CNC(=O)NC2(C(=O)[O-])CC2)C2=CC=C(F)C=C2)CC1	REAL300012951346	0	51	0.0	-83.26	397.47	6.85	-76.41
C[NH+]1CCN(C(CNC(=O)N2CCOCC2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951347	0	55	0.0	-82.19	414.82	7.30	-74.89
C[NH+]1CCN(C(CNC(=O)NC(C(=O)[O-])C2CC2)C2=CC=C(F)C=C2)CC1	REAL300012951348	0	54	0.0	-79.41	409.78	7.42	-71.99
COCCN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951349	0	57	0.0	-71.32	442.06	7.61	-63.71
C[NH+]1CCN(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951350	0	54	0.0	-86.35	407.65	7.58	-78.77
C[NH+]1CCN(C(CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951351	0	57	0.0	-88.78	417.05	9.05	-79.73
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951352	0	53	0.0	-72.80	392.20	7.88	-64.92
C[NH+]1CCN(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951353	0	54	0.0	-79.56	405.53	8.00	-71.56
C[NH+]1CCN(C(CNC(=O)NC2(C(=O)[O-])CCC2)C2=CC=C(F)C=C2)CC1	REAL300012951354	0	54	0.0	-84.76	405.04	7.76	-77.00
C=CCC(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951355	0	54	0.0	-73.73	425.79	7.13	-66.60
C[NH+]1CCN(C(CNC(=O)N2CCCC2(C)C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951356	0	57	0.0	-79.12	422.59	8.55	-70.57
C[NH+]1CCN(C(CNC(=O)NC(C(=O)[O-])C2CC2)C2=CC=C(F)C=C2)CC1	REAL300012951357	0	54	0.0	-79.41	409.78	7.42	-71.99
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951358	0	53	0.0	-75.24	402.84	7.68	-67.56
CCCCC(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951359	0	59	0.0	-78.18	454.92	8.17	-70.01
C[NH+]1CCN(C(CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951360	0	57	0.0	-85.25	429.04	9.10	-76.15
COCC(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951361	0	54	0.0	-75.85	424.48	4.90	-70.95
CC(C(=O)[O-])N(C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C1CC1	REAL300012951362	0	57	0.0	-75.34	411.75	8.62	-66.72
COCC(C)(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951363	0	57	0.0	-77.97	435.14	6.27	-71.70
CC(C)CN(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951364	0	59	0.0	-70.30	446.84	9.71	-60.59
C[NH+]1CCN(C(CNC(=O)N(CC(=O)[O-])C2CC2)C2=CC=C(F)C=C2)CC1	REAL300012951365	0	54	0.0	-79.46	406.15	8.72	-70.74
C[NH+]1CCN(C(CNC(=O)NC2(C(=O)[O-])CCOC2)C2=CC=C(F)C=C2)CC1	REAL300012951366	0	55	0.0	-73.08	412.40	4.59	-68.49
C=CCCC(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951367	0	57	0.0	-77.83	446.23	7.95	-69.88
C[NH+]1CCN(C(CNC(=O)NC(CF)C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951368	0	50	0.0	-65.74	394.54	5.60	-60.14
CC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951369	0	53	0.0	-75.24	402.84	7.68	-67.56
CCC(CC)(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951370	0	59	0.0	-74.66	433.28	7.88	-66.78
CCC(C)N(CC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951371	0	59	0.0	-69.84	441.40	9.76	-60.08
C[NH+]1CCN(C(CNC(=O)NC(CC2CC2)C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951372	0	57	0.0	-79.45	435.28	8.42	-71.03
COCCC(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951373	0	57	0.0	-79.01	446.43	5.67	-73.34
CCCN(C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012951374	0	59	0.0	-71.28	442.25	9.21	-62.07
C[NH+]1CCN(C(CNC(=O)NC(CCF)C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951375	0	53	0.0	-77.63	419.34	6.75	-70.88
C[NH+]1CCN(C(CNC(=O)NC(C)(CCF)C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951376	0	56	0.0	-70.92	423.48	7.13	-63.79
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951377	0	53	0.0	-67.71	396.71	7.09	-60.62
C[NH+]1CCN(C(CNC(=O)N2CC3CC2(C(=O)[O-])C3)C2=CC=C(F)C=C2)CC1	REAL300012951378	0	55	0.0	-84.82	408.84	8.78	-76.04
C[NH+]1CCN(C(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=CC=C(F)C=C2)CC1	REAL300012951379	0	59	0.0	-66.46	434.19	8.03	-58.43
C=C(C)CC(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951380	0	57	0.0	-74.59	445.89	7.93	-66.66
C[NH+]1CCN(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951381	0	54	0.0	-76.35	412.04	8.08	-68.27
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C2=CC=C(F)C=C2)N2CC[NH+](C)CC2)C1	REAL300012951382	0	55	0.0	-74.22	415.18	8.49	-65.73
CC(C)C[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951383	0	59	0.0	-65.37	442.26	8.37	-57.00
C[NH+]1CCN(C(CNC(=O)NC(CC2CC2)C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951384	0	57	0.0	-79.45	435.28	8.42	-71.03
CSCC(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951385	0	54	0.0	-72.38	436.21	7.03	-65.35
COC[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951386	0	54	0.0	-64.99	415.12	5.21	-59.78
CC[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951387	0	53	0.0	-65.13	403.40	6.92	-58.21
C[NH+]1CCN(C(CNC(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951388	0	54	0.0	-86.35	407.65	7.58	-78.77
CCCC(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951389	0	56	0.0	-78.79	434.25	7.37	-71.42
CC(C)[C@@H](NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951390	0	56	0.0	-78.16	418.87	6.41	-71.75
CCN(C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(C)(C)C(=O)[O-]	REAL300012951391	0	59	0.0	-76.67	437.35	9.34	-67.33
CCCN(C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012951392	0	59	0.0	-71.28	442.25	9.21	-62.07
CN(C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(C)(C)C(=O)[O-]	REAL300012951393	0	56	0.0	-76.89	417.71	8.53	-68.36
C[NH+]1CCN(C(CNC(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951394	0	54	0.0	-79.56	405.53	8.00	-71.56
C[NH+]1CCN(C(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951395	0	55	0.0	-83.29	425.31	4.75	-78.54
CCC[C@@H](NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951396	0	56	0.0	-77.91	424.66	7.75	-70.16
C=CCCC(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951397	0	57	0.0	-77.83	446.23	7.95	-69.88
C[NH+]1CCN(C(CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951398	0	57	0.0	-77.58	421.74	8.62	-68.96
CC(C)[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951399	0	56	0.0	-72.41	423.80	6.66	-65.75
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951400	0	53	0.0	-67.71	396.71	7.09	-60.62
CCC[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951401	0	56	0.0	-65.11	424.90	7.68	-57.43
CCN(C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300012951402	0	56	0.0	-76.28	421.42	8.52	-67.76
CC(CN(C)C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951403	0	56	0.0	-76.06	423.98	8.11	-67.95
CC[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951404	0	59	0.0	-73.04	438.00	7.04	-66.00
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951405	0	56	0.0	-68.52	417.18	8.08	-60.44
COCCC(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951406	0	57	0.0	-79.01	446.43	5.67	-73.34
C[NH+]1CCN(C(CNC(=O)NC(C(=O)[O-])C2(C)CC2)C2=CC=C(F)C=C2)CC1	REAL300012951407	0	57	0.0	-80.90	430.36	7.44	-73.46
C[NH+]1CCN(C(CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951408	0	55	0.0	-85.32	422.16	4.99	-80.33
C[NH+]1CCN(C(CNC(=O)NC(C(=O)[O-])C2CCC2)C2=CC=C(F)C=C2)CC1	REAL300012951409	0	57	0.0	-78.41	426.42	7.04	-71.37
C[NH+]1CCN(C(CNC(=O)NC(C(=O)[O-])C2CCC2)C2=CC=C(F)C=C2)CC1	REAL300012951410	0	57	0.0	-78.41	426.42	7.04	-71.37
CC1CCN(C(=O)NCC(C2=CC=C(F)C=C2)N2CC[NH+](C)CC2)C1C(=O)[O-]	REAL300012951411	0	57	0.0	-87.57	417.97	8.98	-78.59
C=CCC(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951412	0	54	0.0	-73.73	425.79	7.13	-66.60
C[NH+]1CCN(C(CNC(=O)NC2(C(=O)[O-])COC2)C2=CC=C(F)C=C2)CC1	REAL300012951413	0	52	0.0	-75.28	395.35	4.68	-70.60
CC(C)C(C)(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951414	0	59	0.0	-74.33	431.81	7.61	-66.72
C[NH+]1CCN(C(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951415	0	55	0.0	-84.70	419.21	9.72	-74.98
CCC(C(=O)[O-])N(CC)C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951416	0	59	0.0	-76.66	437.58	9.47	-67.19
C[NH+]1CCN(C(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951417	0	54	0.0	-76.35	412.04	8.08	-68.27
CO[C@H](C)[C@H](NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951418	0	57	0.0	-72.83	436.76	5.32	-67.51
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951419	0	57	0.0	-81.54	416.21	7.74	-73.80
CCCC(C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951420	0	59	0.0	-76.20	444.67	9.38	-66.82
CCOCC(NC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300012951421	0	57	0.0	-76.42	446.47	5.83	-70.59
C[NH+]1CCN(C(CNC(=O)NC(CCC#N)C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300012951422	0	54	0.0	-80.22	433.61	7.11	-73.11
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300012951423	0	53	0.0	-72.80	392.20	7.88	-64.92
CC(C)C[C@H](NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951424	0	52	0.0	-77.31	399.53	7.57	-69.74
C=CCOCC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951425	0	51	0.0	-78.29	406.96	6.06	-72.23
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012951426	0	54	0.0	-79.77	404.76	6.14	-73.63
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300012951427	0	50	0.0	-72.73	409.71	8.47	-64.26
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300012951428	0	50	0.0	-72.51	419.36	9.00	-63.51
COC1CCN(C(=O)NCCCCCC[NH+](C)C)C(C(=O)[O-])C1	REAL300012951429	0	54	0.0	-87.45	402.90	8.24	-79.21
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300012951430	0	54	0.0	-75.47	404.70	6.16	-69.31
CC1CCN(C(=O)NCCCCCC[NH+](C)C)C(C(=O)[O-])C1	REAL300012951431	0	53	0.0	-86.92	391.44	9.79	-77.13
CC1=CC(C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300012951432	0	53	0.0	-75.05	423.48	9.13	-65.92
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300012951433	0	55	0.0	-78.68	432.66	8.27	-70.41
CC1=CC(C)=CC(C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])=C1	REAL300012951434	0	56	0.0	-79.64	439.59	9.75	-69.89
CC1=CC=C(C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])C=C1C	REAL300012951435	0	56	0.0	-80.10	435.41	9.54	-70.56
COC1=CC=C(C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300012951436	0	54	0.0	-77.79	442.27	8.27	-69.52
CC1=CC=CC(C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])=C1C	REAL300012951437	0	56	0.0	-81.06	431.13	9.35	-71.71
COC1=CC=C(C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])C=C1F	REAL300012951438	0	54	0.0	-78.60	432.71	7.70	-70.90
CC(C(=O)[O-])N(C(=O)NCCCCCC[NH+](C)C)C1CCC1	REAL300012951439	0	53	0.0	-61.70	388.06	10.09	-51.61
CCCN(C(=O)NCCCCCC[NH+](C)C)C(COC)C(=O)[O-]	REAL300012951440	0	56	0.0	-75.42	419.14	8.57	-66.85
CCCN(C(=O)NCCCCCC[NH+](C)C)C(CC)C(=O)[O-]	REAL300012951441	0	55	0.0	-79.93	409.32	10.51	-69.42
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012951442	0	50	0.0	-74.73	413.50	8.95	-65.78
C[NH+](C)CCCCCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012951443	0	48	0.0	-83.63	370.49	9.20	-74.43
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012951444	0	53	0.0	-81.32	390.35	8.50	-72.82
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012951445	0	56	0.0	-81.89	396.01	9.15	-72.74
C[NH+](C)CCCCCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012951446	0	53	0.0	-78.65	419.20	9.28	-69.37
C[NH+](C)CCCCCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012951447	0	53	0.0	-64.21	411.69	10.80	-53.41
C[NH+](C)CCCCCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012951448	0	50	0.0	-79.07	397.01	8.35	-70.72
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012951449	0	50	0.0	-79.05	396.99	8.35	-70.70
C[NH+](C)CCCCCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012951450	0	53	0.0	-78.65	419.20	9.28	-69.37
CCC(C)C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951451	0	52	0.0	-77.96	392.07	7.23	-70.73
CCCC(C)(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951452	0	52	0.0	-77.88	386.48	7.39	-70.49
CC(C)CN(CC(=O)[O-])C(=O)NCCCCCC[NH+](C)C	REAL300012951453	0	52	0.0	-65.32	394.67	9.15	-56.17
C[NH+](C)CCCCCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012951454	0	54	0.0	-87.24	408.53	11.33	-75.91
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012951455	0	47	0.0	-76.85	388.35	7.50	-69.35
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCCCC1	REAL300012951456	0	53	0.0	-81.32	390.35	8.50	-72.82
C[NH+](C)CCCCCCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012951457	0	53	0.0	-62.10	428.46	11.31	-50.79
C[NH+](C)CCCCCCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012951458	0	57	0.0	-79.87	447.46	9.39	-70.48
CC[C@H](C)[C@H](NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951459	0	52	0.0	-77.96	392.07	7.23	-70.73
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NCCCCCC[NH+](C)C)=C1	REAL300012951460	0	61	0.0	-69.65	470.70	9.40	-60.25
C[NH+](C)CCCCCCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012951461	0	53	0.0	-62.48	418.13	10.87	-51.61
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012951462	0	54	0.0	-81.21	414.95	9.52	-71.69
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012951463	0	50	0.0	-78.20	407.59	8.57	-69.63
C[NH+](C)CCCCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012951464	0	53	0.0	-79.94	404.79	9.12	-70.82
CCCCCCC(C)(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951465	0	61	0.0	-78.11	450.98	9.73	-68.38
CN(C(=O)NCCCCCC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012951466	0	56	0.0	-75.47	429.78	11.36	-64.11
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012951467	0	50	0.0	-74.73	413.50	8.95	-65.78
C[NH+](C)CCCCCCNC(=O)N1CCOCC1C(=O)[O-]	REAL300012951468	0	48	0.0	-83.83	362.08	6.79	-77.04
CN(C(=O)NCCCCCC[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300012951469	0	56	0.0	-82.63	399.60	9.81	-72.82
C[NH+](C)CCCCCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012951470	0	56	0.0	-66.57	434.95	11.65	-54.92
CN(C(=O)NCCCCCC[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012951471	0	53	0.0	-75.69	404.26	9.91	-65.78
COCCN(CC(=O)[O-])C(=O)NCCCCCC[NH+](C)C	REAL300012951472	0	50	0.0	-66.55	390.14	7.26	-59.29
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012951473	0	54	0.0	-85.29	412.02	9.47	-75.82
C[NH+](C)CCCCCCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012951474	0	57	0.0	-84.92	452.92	9.30	-75.62
C[NH+](C)CCCCCCNC(=O)N1CCCCCC1C(=O)[O-]	REAL300012951475	0	53	0.0	-85.60	383.93	9.74	-75.86
CCCCC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951476	0	52	0.0	-76.21	403.00	7.84	-68.37
C[NH+](C)CCCCCCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012951477	0	56	0.0	-66.57	434.95	11.65	-54.92
C[NH+](C)CCCCCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012951478	0	53	0.0	-65.39	395.11	9.65	-55.74
CCCCCC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951479	0	55	0.0	-76.70	425.33	8.61	-68.09
CCC1CCC(NC(=O)NCCCCCC[NH+](C)C)(C(=O)[O-])CC1	REAL300012951480	0	59	0.0	-81.18	429.42	9.74	-71.44
C[NH+](C)CCCCCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012951481	0	54	0.0	-65.77	403.53	7.98	-57.79
CN(C(=O)NCCCCCC[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300012951482	0	53	0.0	-84.85	387.81	9.29	-75.56
CCC(C(=O)[O-])N(C(=O)NCCCCCC[NH+](C)C)C1CC1	REAL300012951483	0	53	0.0	-75.49	392.61	9.73	-65.76
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012951484	0	50	0.0	-80.58	408.95	8.78	-71.80
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012951485	0	50	0.0	-83.80	401.16	8.50	-75.30
C[NH+](C)CCCCCCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012951486	0	54	0.0	-68.57	411.91	10.78	-57.79
C[NH+](C)CCCCCCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012951487	0	53	0.0	-76.33	432.50	9.37	-66.96
C[NH+](C)CCCCCCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012951488	0	59	0.0	-82.01	462.69	11.41	-70.60
C[NH+](C)CCCCCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012951489	0	59	0.0	-77.29	440.96	9.56	-67.73
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCCCC[NH+](C)C	REAL300012951490	0	56	0.0	-66.47	429.50	11.81	-54.66
CC1=CC=C(C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])C=C1	REAL300012951491	0	53	0.0	-79.20	418.40	9.03	-70.17
C[NH+](C)CCCCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012951492	0	46	0.0	-71.49	376.76	6.96	-64.53
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012951493	0	56	0.0	-80.41	442.75	10.67	-69.74
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012951494	0	51	0.0	-77.10	388.03	8.16	-68.94
COCC(C)(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951495	0	50	0.0	-81.67	383.22	5.94	-75.73
CCOCC(C(=O)[O-])N(C)C(=O)NCCCCCC[NH+](C)C	REAL300012951496	0	53	0.0	-73.66	402.96	7.64	-66.02
CC(C)CN(CC(=O)[O-])C(=O)NCCCCCC[NH+](C)C	REAL300012951497	0	52	0.0	-65.32	394.67	9.15	-56.17
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCCCC[NH+](C)C	REAL300012951498	0	59	0.0	-62.76	437.93	11.61	-51.15
C[NH+](C)CCCCCCNC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012951499	0	49	0.0	-64.89	398.39	9.23	-55.66
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCOC1	REAL300012951500	0	48	0.0	-77.01	366.36	4.79	-72.22
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012951501	0	56	0.0	-78.56	413.91	8.56	-70.00
CN(C(=O)NCCCCCC[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300012951502	0	57	0.0	-74.53	430.14	9.04	-65.49
C[NH+](C)CCCCCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012951503	0	57	0.0	-87.30	434.95	12.46	-74.84
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCOCC1	REAL300012951504	0	51	0.0	-80.08	381.77	5.98	-74.10
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCCCC[NH+](C)C	REAL300012951505	0	56	0.0	-62.93	426.65	12.15	-50.78
CCC(CC)(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951506	0	52	0.0	-78.76	381.65	7.52	-71.24
COC1=CC=C(C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])C=C1	REAL300012951507	0	54	0.0	-78.19	426.27	7.73	-70.46
CCC(C)N(CC(=O)[O-])C(=O)NCCCCCC[NH+](C)C	REAL300012951508	0	52	0.0	-65.31	389.48	9.41	-55.90
CCC(COC)(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951509	0	53	0.0	-83.04	399.65	6.84	-76.20
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCCCCC[NH+](C)C	REAL300012951510	0	56	0.0	-74.37	424.48	8.51	-65.86
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012951511	0	53	0.0	-81.47	406.89	4.49	-76.98
COCCC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951512	0	50	0.0	-76.21	393.67	5.35	-70.86
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCCCC[NH+](C)C	REAL300012951513	0	55	0.0	-73.96	410.01	9.86	-64.10
C[NH+](C)CCCCCCNC(=O)NC(CC(F)F)C(=O)[O-]	REAL300012951514	0	46	0.0	-75.66	373.18	6.55	-69.11
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCCCC[NH+](C)C	REAL300012951515	0	56	0.0	-86.02	411.36	10.69	-75.33
CCCN(C(=O)NCCCCCC[NH+](C)C)C(C)C(=O)[O-]	REAL300012951516	0	52	0.0	-79.24	393.69	9.52	-69.72
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCCCC[NH+](C)C	REAL300012951517	0	56	0.0	-63.80	426.88	11.93	-51.87
CCC(NC(=O)NCCCCCC[NH+](C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012951518	0	56	0.0	-77.25	438.50	10.55	-66.70
CCC(NC(=O)NCCCCCC[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012951519	0	56	0.0	-80.86	421.66	9.99	-70.87
COC1CCCC(C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])C1	REAL300012951520	0	60	0.0	-82.14	446.35	7.56	-74.58
COC1(CC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])CCC1	REAL300012951521	0	57	0.0	-79.46	432.57	7.28	-72.18
C[NH+](C)CCCCCCNC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012951522	0	54	0.0	-65.77	403.53	7.98	-57.79
C[NH+](C)CCCCCCNC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012951523	0	56	0.0	-65.84	412.48	10.36	-55.48
C[C@H]1CC[C@@](NC(=O)NCCCCCC[NH+](C)C)(C(=O)[O-])CC1	REAL300012951524	0	56	0.0	-81.61	404.13	8.88	-72.73
COC1=CC=CC(C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])=C1	REAL300012951525	0	54	0.0	-81.28	426.48	7.64	-73.64
C[NH+](C)CCCCCCNC(=O)NC(C)(CCF)C(=O)[O-]	REAL300012951526	0	49	0.0	-74.27	371.58	6.78	-67.49
C[NH+](C)CCCCCCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012951527	0	51	0.0	-69.73	393.75	8.83	-60.90
C[NH+](C)CCCCCCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012951528	0	47	0.0	-76.48	373.34	8.05	-68.43
COC1=CC=CC([C@H](NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])=C1	REAL300012951529	0	54	0.0	-80.85	425.86	7.66	-73.19
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCCCC[NH+](C)C)C1	REAL300012951530	0	56	0.0	-85.22	425.62	10.05	-75.17
COC1=CC=CC(CC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])=C1	REAL300012951531	0	57	0.0	-78.26	448.71	8.59	-69.67
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012951532	0	59	0.0	-82.64	418.26	9.37	-73.27
C[NH+](C)CCCCCCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012951533	0	56	0.0	-76.99	439.11	10.00	-66.99
C[NH+](C)CCCCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012951534	0	55	0.0	-75.90	433.01	9.79	-66.11
COC1CN(C(=O)NCCCCCC[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300012951535	0	54	0.0	-83.28	409.98	7.72	-75.56
C[NH+](C)CCCCCCNC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012951536	0	57	0.0	-77.18	432.23	7.10	-70.08
C[NH+](C)CCCCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300012951537	0	52	0.0	-77.55	390.95	7.47	-70.08
C=C(Cl)CC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951538	0	47	0.0	-76.72	389.28	7.35	-69.37
C[NH+](C)CCCCCCNC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300012951539	0	51	0.0	-90.88	381.67	9.62	-81.26
C[NH+](C)CCCCCCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012951540	0	56	0.0	-77.48	428.80	9.56	-67.92
C[NH+](C)CCCCCCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012951541	0	47	0.0	-76.18	372.55	8.35	-67.83
C[NH+](C)CCCCCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012951542	0	47	0.0	-80.46	366.09	8.27	-72.19
C[NH+](C)CCCCCCNC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012951543	0	57	0.0	-76.74	428.08	7.75	-68.99
CC(C)C[C@H](NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951544	0	52	0.0	-77.31	399.53	7.57	-69.74
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012951545	0	54	0.0	-79.77	404.76	6.14	-73.63
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012951546	0	50	0.0	-79.05	396.99	8.35	-70.70
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012951547	0	53	0.0	-77.45	435.71	9.34	-68.11
C[NH+](C)CCCCCCNC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012951548	0	49	0.0	-76.94	405.76	6.49	-70.45
CC(C)CCCC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951549	0	58	0.0	-76.75	442.89	9.13	-67.62
C[NH+](C)CCCCCCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012951550	0	56	0.0	-80.84	448.49	9.82	-71.02
C[NH+](C)CCCCCCNC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012951551	0	54	0.0	-81.30	416.78	6.71	-74.59
CSCC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951552	0	47	0.0	-74.29	383.64	6.72	-67.57
C[NH+](C)CCCCCCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012951553	0	53	0.0	-76.22	425.62	9.36	-66.86
CCC(C)CC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951554	0	55	0.0	-77.15	417.76	8.24	-68.91
C=CCCCC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951555	0	53	0.0	-76.47	416.40	8.44	-68.03
C[NH+](C)CCCCCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012951556	0	53	0.0	-76.25	425.61	9.37	-66.88
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012951557	0	56	0.0	-82.72	436.87	10.53	-72.19
C[NH+](C)CCCCCCNC(=O)N1CCSCC1C(=O)[O-]	REAL300012951558	0	48	0.0	-83.63	370.49	9.20	-74.43
C[NH+](C)CCCCCCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012951559	0	53	0.0	-79.94	404.79	9.12	-70.82
C[NH+](C)CCCCCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300012951560	0	51	0.0	-89.65	381.11	9.75	-79.90
CCN(C(=O)NCCCCCC[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300012951561	0	52	0.0	-80.80	385.56	9.05	-71.75
CCCN(C(=O)NCCCCCC[NH+](C)C)C(C)C(=O)[O-]	REAL300012951562	0	52	0.0	-79.24	393.69	9.52	-69.72
C[NH+](C)CCCCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012951563	0	46	0.0	-71.67	373.38	8.60	-63.07
C[NH+](C)CCCCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012951564	0	46	0.0	-71.67	373.38	8.60	-63.07
C[NH+](C)CCCCCCNC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012951565	0	59	0.0	-66.37	447.11	6.56	-59.81
C[NH+](C)CCCCCCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300012951566	0	48	0.0	-85.13	371.61	4.49	-80.64
CN1CCN(CCN(CC(=O)[O-])C(=O)NCCCCCC[NH+](C)C)CC1	REAL300012951567	1	63	0.0	-66.56	465.94	6.04	-60.52
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCCCCC[NH+](C)C	REAL300012951568	0	54	0.0	-66.27	415.43	11.11	-55.16
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCCCCC[NH+](C)C)[C@H]1C(=O)[O-]	REAL300012951569	0	57	0.0	-68.52	423.97	11.43	-57.09
C[NH+](C)CCCCCCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012951570	0	55	0.0	-75.36	416.79	9.51	-65.85
C[NH+](C)CCCCCCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012951571	0	50	0.0	-79.07	397.01	8.35	-70.72
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012951572	0	53	0.0	-73.97	435.49	9.44	-64.53
C[NH+](C)CCCCCCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012951573	0	55	0.0	-78.28	437.12	8.29	-69.99
C[NH+](C)CCCCCCNC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012951574	0	49	0.0	-74.94	405.20	6.29	-68.65
C[NH+](C)CCCCCCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012951575	0	50	0.0	-72.59	424.48	8.13	-64.46
C[NH+](C)CCCCCCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012951576	0	50	0.0	-91.59	390.09	5.75	-85.84
CN1CC(C(=O)[O-])N(C(=O)NCCCCCC[NH+](C)C)CC1=O	REAL300012951577	0	51	0.0	-78.39	387.85	7.44	-70.95
C[NH+](C)CCCCCCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012951578	0	50	0.0	-79.07	396.96	8.34	-70.73
C[NH+](C)CCCCCCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012951579	0	53	0.0	-80.95	406.45	7.67	-73.28
C[NH+](C)CCCCCCNC(=O)N(CC(=O)[O-])C1CCCC1	REAL300012951580	0	53	0.0	-65.39	395.11	9.65	-55.74
CC[C@H](C)[C@H](NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951581	0	52	0.0	-77.96	392.07	7.23	-70.73
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300012951582	0	51	0.0	-87.19	392.50	4.18	-83.01
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951583	0	59	0.0	-79.21	444.11	7.57	-71.64
CC1CCC(NC(=O)NCCCCCC[NH+](C)C)(C(=O)[O-])C1	REAL300012951584	0	53	0.0	-81.70	396.90	8.01	-73.69
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012951585	0	56	0.0	-82.80	404.77	8.64	-74.16
COCCC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951586	0	50	0.0	-76.21	393.67	5.35	-70.86
CN(C(=O)NCCCCCC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012951587	0	56	0.0	-75.47	429.78	11.36	-64.11
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300012951588	0	53	0.0	-83.08	398.16	8.68	-74.40
CC1CCC(NC(=O)NCCCCCC[NH+](C)C)(C(=O)[O-])C2=CC=CC=C21	REAL300012951589	0	60	0.0	-85.16	445.97	10.72	-74.44
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951590	0	59	0.0	-78.94	444.68	7.57	-71.37
C[NH+](C)CCCCCCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300012951591	0	48	0.0	-90.39	371.61	4.66	-85.73
C[NH+](C)CCCCCCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012951592	0	58	0.0	-69.94	439.17	11.92	-58.02
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1CCOC1	REAL300012951593	0	51	0.0	-74.67	393.55	5.41	-69.26
C[NH+](C)CCCCCCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300012951594	0	51	0.0	-87.54	381.55	9.32	-78.22
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012951595	0	54	0.0	-86.69	428.91	8.43	-78.26
C[NH+](C)CCCCCCNC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300012951596	0	49	0.0	-84.38	374.22	7.01	-77.37
CC1CCC(C(=O)[O-])N(C(=O)NCCCCCC[NH+](C)C)C1	REAL300012951597	0	53	0.0	-87.18	391.76	10.04	-77.14
CC(C1=CC=CC=C1)C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951598	0	56	0.0	-77.61	434.47	9.63	-67.98
C[NH+](C)CCCCCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012951599	0	57	0.0	-76.78	429.07	10.08	-66.70
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012951600	0	63	0.0	-79.79	454.03	9.04	-70.75
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012951601	0	56	0.0	-78.56	413.91	8.56	-70.00
C[NH+](C)CCCCCCNC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012951602	0	57	0.0	-80.17	434.22	7.47	-72.70
C[NH+](C)CCCCCCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012951603	0	57	0.0	-63.28	410.72	10.10	-53.18
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012951604	0	57	0.0	-80.92	410.87	7.30	-73.62
C[NH+](C)CCCCCCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012951605	0	56	0.0	-79.22	457.21	10.62	-68.60
CC1=CC=CC2=C1CCN(C(=O)NCCCCCC[NH+](C)C)C2C(=O)[O-]	REAL300012951606	0	57	0.0	-92.58	424.95	11.82	-80.76
C[NH+](C)CCCCCCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300012951607	0	51	0.0	-66.04	382.61	9.20	-56.84
C[NH+](C)CCCCCCNC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012951608	0	57	0.0	-76.78	429.07	10.08	-66.70
C[NH+](C)CCCCCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012951609	0	53	0.0	-79.48	425.68	9.36	-70.12
COC1CC(NC(=O)NCCCCCC[NH+](C)C)(C(=O)[O-])C1	REAL300012951610	0	51	0.0	-84.16	395.42	5.95	-78.21
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012951611	0	47	0.0	-79.92	370.38	7.02	-72.90
CO[C@H]1C[C@](NC(=O)NCCCCCC[NH+](C)C)(C(=O)[O-])C1	REAL300012951612	0	51	0.0	-80.72	394.08	6.24	-74.48
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012951613	0	50	0.0	-78.10	398.79	8.04	-70.06
CCC1(C(=O)[O-])CCCN1C(=O)NCCCCCC[NH+](C)C	REAL300012951614	0	53	0.0	-84.33	392.49	9.89	-74.44
C[NH+](C)CCCCCCNC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012951615	0	46	0.0	-71.49	376.76	6.96	-64.53
C[NH+](C)CCCCCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012951616	0	54	0.0	-76.89	415.72	6.33	-70.56
C[NH+](C)CCCCCCNC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012951617	0	50	0.0	-76.05	411.22	8.35	-67.70
COCC(NC(=O)NCCCCCC[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300012951618	0	57	0.0	-79.53	437.75	8.32	-71.21
CC(C)C(C)(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951619	0	52	0.0	-78.61	381.71	7.33	-71.28
C[NH+](C)CCCCCCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012951620	0	51	0.0	-85.90	383.03	8.76	-77.14
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCCCC[NH+](C)C	REAL300012951621	0	56	0.0	-63.80	426.88	11.93	-51.87
C[NH+](C)CCCCCCNC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012951622	0	59	0.0	-77.29	440.96	9.56	-67.73
C[NH+](C)CCCCCCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012951623	0	56	0.0	-77.80	442.24	10.06	-67.74
C[NH+](C)CCCCCCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012951624	0	56	0.0	-77.57	442.00	10.12	-67.45
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012951625	0	57	0.0	-78.94	422.46	9.06	-69.88
C[NH+](C)CCCCCCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012951626	0	59	0.0	-77.34	440.94	9.56	-67.78
C[NH+](C)CCCCCCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012951627	0	59	0.0	-77.35	440.96	9.56	-67.79
C[NH+](C)CCCCCCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012951628	0	57	0.0	-65.26	422.28	10.11	-55.15
C[NH+](C)CCCCCCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012951629	0	57	0.0	-85.51	417.07	9.95	-75.56
COC1=CC=C(CC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])C=C1	REAL300012951630	0	57	0.0	-78.99	448.52	8.66	-70.33
C=CCSCC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951631	0	51	0.0	-74.94	418.58	8.15	-66.79
C[NH+](C)CCCCCCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012951632	0	54	0.0	-76.80	439.87	9.75	-67.05
C[NH+](C)CCCCCCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012951633	0	57	0.0	-83.73	451.10	9.56	-74.17
CCC(C(=O)[O-])N(CC)C(=O)NCCCCCC[NH+](C)C	REAL300012951634	0	52	0.0	-79.63	387.56	9.73	-69.90
COC1(C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])CCC1	REAL300012951635	0	54	0.0	-74.61	407.77	5.90	-68.71
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012951636	0	56	0.0	-81.33	422.75	9.32	-72.01
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012951637	0	57	0.0	-82.79	428.25	10.42	-72.37
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012951638	0	50	0.0	-77.64	395.91	7.89	-69.75
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012951640	0	62	0.0	-78.70	473.21	10.68	-68.02
CC(C)C1=CC=C(C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])C=C1	REAL300012951641	0	59	0.0	-78.66	457.21	10.27	-68.39
C[NH+](C)CCCCCCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300012951642	0	47	0.0	-80.46	366.09	8.27	-72.19
C[NH+](C)CCCCCCNC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300012951643	0	49	0.0	-65.18	374.96	9.06	-56.12
C[NH+](C)CCCCCCNC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300012951644	0	53	0.0	-85.56	395.73	8.83	-76.73
CCOC1=CC=C(C(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-])C=C1	REAL300012951645	0	57	0.0	-78.02	448.10	8.64	-69.38
C[NH+](C)CCCCCCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012951646	0	57	0.0	-86.71	416.12	10.85	-75.86
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012951647	0	57	0.0	-78.96	439.34	10.41	-68.55
C[NH+](C)CCCCCCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012951648	0	57	0.0	-83.62	439.42	9.39	-74.23
C[NH+](C)CCCCCCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012951649	0	53	0.0	-80.58	433.22	9.27	-71.31
CC(C)CCC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951650	0	55	0.0	-76.90	421.40	8.35	-68.55
C[NH+](C)CCCCCCNC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012951651	0	54	0.0	-65.19	406.47	9.68	-55.51
C[NH+](C)CCCCCCNC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012951652	0	54	0.0	-76.89	415.72	6.33	-70.56
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCCCC[NH+](C)C)C1	REAL300012951653	0	51	0.0	-80.97	402.87	9.38	-71.59
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012951654	0	54	0.0	-81.38	398.90	8.87	-72.51
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300012951655	0	51	0.0	-82.96	383.32	8.22	-74.74
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012951656	0	54	0.0	-81.71	404.58	8.61	-73.10
CN(C(=O)NCCCCCC[NH+](C)C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012951657	0	56	0.0	-75.45	429.77	11.35	-64.10
C[NH+](C)CCCCCCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012951658	0	60	0.0	-66.00	438.01	10.57	-55.43
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1CCCC1	REAL300012951659	0	53	0.0	-77.78	397.16	7.82	-69.96
CO[C@H](C)[C@H](NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951660	0	50	0.0	-78.17	390.70	5.57	-72.60
C[NH+](C)CCCCCCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012951661	0	53	0.0	-64.21	411.69	10.80	-53.41
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012951662	0	60	0.0	-79.28	471.18	11.75	-67.53
C[NH+](C)CCCCCCNC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300012951663	0	53	0.0	-65.19	399.45	8.98	-56.21
C[NH+](C)CCCCCCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012951664	0	54	0.0	-64.34	423.92	10.76	-53.58
C[NH+](C)CCCCCCNC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012951665	0	50	0.0	-83.24	381.80	9.34	-73.90
C[NH+](C)CCCCCCNC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012951666	0	47	0.0	-85.59	371.27	8.33	-77.26
C[NH+](C)CCCCCCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012951667	0	53	0.0	-79.48	425.68	9.36	-70.12
C[NH+](C)CCCCCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012951668	0	50	0.0	-76.65	409.85	8.29	-68.36
C[NH+](C)CCCCCCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012951669	0	50	0.0	-75.72	388.78	8.85	-66.87
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012951670	0	54	0.0	-82.04	424.00	9.03	-73.01
C[NH+](C)CCCCCCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012951671	0	58	0.0	-81.95	447.84	10.65	-71.30
C[NH+](C)CCCCCCNC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012951672	0	50	0.0	-76.65	409.85	8.29	-68.36
C[NH+](C)CCCCCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012951673	0	54	0.0	-85.91	397.40	9.27	-76.64
COCCCC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951674	0	53	0.0	-76.04	415.17	6.13	-69.91
CCCC(C(=O)[O-])N(C)C(=O)NCCCCCC[NH+](C)C	REAL300012951675	0	52	0.0	-73.24	392.76	9.04	-64.20
CCOCC(NC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300012951676	0	50	0.0	-78.89	394.55	5.50	-73.39
C[NH+](C)CCCCCCNC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300012951677	0	55	0.0	-77.17	411.42	8.73	-68.44
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012951678	0	54	0.0	-79.78	411.59	6.82	-72.96
C[NH+](C)CCCCCCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012951679	0	54	0.0	-81.21	414.95	9.52	-71.69
C[C@H]1OCCN(C(=O)NCCCCCC[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300012951680	0	51	0.0	-85.44	382.25	7.75	-77.69
C[NH+](C)CCCCCCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012951681	0	53	0.0	-76.63	402.39	9.16	-67.47
C[NH+](C)CCCCCCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012951682	0	64	0.0	-81.34	452.71	10.45	-70.89
C[NH+](C)CCCCCCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012951683	0	56	0.0	-80.02	444.56	9.64	-70.38
C[NH+](C)CCCCCCNC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012951684	0	50	0.0	-67.52	393.80	8.98	-58.54
C[NH+](C)CCCCCCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012951685	0	61	0.0	-85.78	432.90	9.77	-76.01
C[NH+](C)CCCCCCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012951686	0	52	0.0	-77.19	430.84	8.01	-69.18
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCCCC[NH+](C)C)C1	REAL300012951687	0	54	0.0	-84.28	415.43	7.86	-76.42
C=CCOCC(NC(=O)NC1C[N@@H+](C)C2(CCC2)C1)C(=O)[O-]	REAL300012951688	0	47	0.0	-62.70	367.71	4.94	-57.76
C=CCOCC(NC(=O)NC1C[N@H+](C)C2(CCC2)C1)C(=O)[O-]	REAL300012951688	1	47	0.0	-67.52	365.00	4.84	-62.68
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC12CCC2	REAL300012951689	0	50	0.0	-69.77	365.49	5.03	-64.74
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC12CCC2	REAL300012951689	1	50	0.0	-69.51	363.35	4.93	-64.58
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC12CCC2	REAL300012951690	0	46	0.0	-57.97	369.95	7.41	-50.56
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC12CCC2	REAL300012951690	1	46	0.0	-63.77	369.96	7.40	-56.37
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC12CCC2	REAL300012951691	0	46	0.0	-58.36	380.08	7.77	-50.59
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC12CCC2	REAL300012951691	1	46	0.0	-63.47	379.86	7.85	-55.62
COC1CCN(C(=O)NC2C[N@H+](C)C3(CCC3)C2)C(C(=O)[O-])C1	REAL300012951692	0	50	0.0	-72.97	363.67	7.33	-65.64
COC1CCN(C(=O)NC2C[N@@H+](C)C3(CCC3)C2)C(C(=O)[O-])C1	REAL300012951692	1	50	0.0	-71.25	361.81	7.18	-64.07
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC12CCC2	REAL300012951693	0	50	0.0	-66.08	366.40	4.95	-61.13
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC12CCC2	REAL300012951693	1	50	0.0	-62.04	371.29	5.20	-56.84
CC1CCN(C(=O)NC2C[N@H+](C)C3(CCC3)C2)C(C(=O)[O-])C1	REAL300012951694	0	49	0.0	-69.25	344.91	8.45	-60.80
CC1CCN(C(=O)NC2C[N@@H+](C)C3(CCC3)C2)C(C(=O)[O-])C1	REAL300012951694	1	49	0.0	-69.47	345.33	8.39	-61.08
CC1=CC(C(NC(=O)NC2C[N@@H+](C)C3(CCC3)C2)C(=O)[O-])=CC=C1F	REAL300012951695	0	49	0.0	-60.09	383.98	7.99	-52.10
CC1=CC(C(NC(=O)NC2C[N@H+](C)C3(CCC3)C2)C(=O)[O-])=CC=C1F	REAL300012951695	1	49	0.0	-64.40	384.22	7.89	-56.51
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC12CCC2	REAL300012951696	0	51	0.0	-63.19	393.41	7.05	-56.14
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC12CCC2	REAL300012951696	1	51	0.0	-67.03	393.42	7.04	-59.99
CC1=CC(C)=CC(C(NC(=O)NC2C[N@@H+](C)C3(CCC3)C2)C(=O)[O-])=C1	REAL300012951697	0	52	0.0	-63.62	400.09	8.61	-55.01
CC1=CC(C)=CC(C(NC(=O)NC2C[N@H+](C)C3(CCC3)C2)C(=O)[O-])=C1	REAL300012951697	1	52	0.0	-63.38	399.68	8.55	-54.83
CC1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(CCC3)C2)C(=O)[O-])C=C1C	REAL300012951698	0	52	0.0	-63.64	396.35	8.52	-55.12
CC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(CCC3)C2)C(=O)[O-])C=C1C	REAL300012951698	1	52	0.0	-67.81	395.66	8.48	-59.33
COC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(CCC3)C2)C(=O)[O-])C=C1Cl	REAL300012951699	0	50	0.0	-66.70	402.79	7.13	-59.57
COC1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(CCC3)C2)C(=O)[O-])C=C1Cl	REAL300012951699	1	50	0.0	-63.35	403.01	7.06	-56.29
CC1=CC=CC(C(NC(=O)NC2C[N@@H+](C)C3(CCC3)C2)C(=O)[O-])=C1C	REAL300012951700	0	52	0.0	-63.70	390.23	8.33	-55.37
CC1=CC=CC(C(NC(=O)NC2C[N@H+](C)C3(CCC3)C2)C(=O)[O-])=C1C	REAL300012951700	1	52	0.0	-67.04	387.02	8.24	-58.80
COC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(CCC3)C2)C(=O)[O-])C=C1F	REAL300012951701	0	50	0.0	-67.45	392.98	6.64	-60.81
COC1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(CCC3)C2)C(=O)[O-])C=C1F	REAL300012951701	1	50	0.0	-64.14	393.21	6.57	-57.57
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC12CCC2	REAL300012951702	0	52	0.0	-53.60	416.99	10.95	-42.65
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC12CCC2	REAL300012951702	1	52	0.0	-53.07	414.54	10.89	-42.18
CC(C(=O)[O-])N(C(=O)NC1C[N@H+](C)C2(CCC2)C1)C1CCC1	REAL300012951703	0	49	0.0	-57.97	352.97	8.04	-49.93
CC(C(=O)[O-])N(C(=O)NC1C[N@@H+](C)C2(CCC2)C1)C1CCC1	REAL300012951703	1	49	0.0	-56.44	353.34	7.99	-48.45
CCCN(C(=O)NC1C[N@H+](C)C2(CCC2)C1)C(COC)C(=O)[O-]	REAL300012951704	0	52	0.0	-68.51	380.01	8.59	-59.92
CCCN(C(=O)NC1C[N@@H+](C)C2(CCC2)C1)C(COC)C(=O)[O-]	REAL300012951704	1	52	0.0	-63.22	383.84	8.63	-54.59
CCCN(C(=O)NC1C[N@H+](C)C2(CCC2)C1)C(CC)C(=O)[O-]	REAL300012951705	0	51	0.0	-59.68	364.53	8.60	-51.08
CCCN(C(=O)NC1C[N@@H+](C)C2(CCC2)C1)C(CC)C(=O)[O-]	REAL300012951705	1	51	0.0	-61.79	368.97	9.29	-52.50
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC12CCC2	REAL300012951706	0	46	0.0	-60.21	374.44	7.76	-52.45
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC12CCC2	REAL300012951706	1	46	0.0	-59.29	371.47	7.75	-51.54
C[N@@H+]1CC(NC(=O)N2CCSCC2C(=O)[O-])CC12CCC2	REAL300012951707	0	44	0.0	-69.01	330.92	8.03	-60.98
C[N@H+]1CC(NC(=O)N2CCSCC2C(=O)[O-])CC12CCC2	REAL300012951707	1	44	0.0	-67.91	332.20	8.31	-59.60
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC12CCC2	REAL300012951708	0	49	0.0	-68.65	348.54	7.27	-61.38
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC12CCC2	REAL300012951708	1	49	0.0	-69.56	348.34	7.28	-62.28
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC12CCC2	REAL300012951709	0	52	0.0	-69.47	354.19	7.95	-61.52
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC12CCC2	REAL300012951709	1	52	0.0	-69.61	358.08	7.84	-61.77
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC12CCC2	REAL300012951710	0	49	0.0	-67.72	379.77	8.24	-59.48
C[N@H+]1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC12CCC2	REAL300012951710	1	49	0.0	-67.71	377.19	8.09	-59.62
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC12CCC2	REAL300012951711	0	49	0.0	-49.65	378.50	9.98	-39.67
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC12CCC2	REAL300012951711	1	49	0.0	-55.13	375.80	9.89	-45.24
C[N@@H+]1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC12CCC2	REAL300012951712	0	46	0.0	-63.12	357.56	7.20	-55.92
C[N@H+]1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC12CCC2	REAL300012951712	1	46	0.0	-62.52	354.81	7.22	-55.30
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC12CCC2	REAL300012951713	0	46	0.0	-66.98	357.52	7.31	-59.67
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC12CCC2	REAL300012951713	1	46	0.0	-62.50	354.71	7.23	-55.27
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC12CCC2	REAL300012951714	0	49	0.0	-67.72	379.77	8.24	-59.48
C[N@H+]1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC12CCC2	REAL300012951714	1	49	0.0	-67.71	377.19	8.09	-59.62
C[N@@H+]1CC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC12CCC2	REAL300012951715	0	50	0.0	-71.58	369.13	10.20	-61.38
C[N@H+]1CC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC12CCC2	REAL300012951715	1	50	0.0	-71.22	368.95	10.15	-61.07
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC12CCC2	REAL300012951716	0	43	0.0	-65.22	348.48	6.32	-58.90
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC12CCC2	REAL300012951716	1	43	0.0	-65.32	346.64	6.23	-59.09
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC12CCC2	REAL300012951717	0	49	0.0	-68.65	348.54	7.27	-61.38
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC12CCC2	REAL300012951717	1	49	0.0	-69.56	348.34	7.28	-62.28
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC12CCC2	REAL300012951718	0	49	0.0	-53.65	394.98	10.47	-43.18
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC12CCC2	REAL300012951718	1	49	0.0	-53.08	392.54	10.41	-42.67
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CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(CCC2)C1	REAL300012951748	1	52	0.0	-49.36	390.52	10.61	-38.75
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C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC12CCC2	REAL300012951756	1	52	0.0	-65.99	374.68	7.48	-58.51
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C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC12CCC2	REAL300012951759	0	47	0.0	-63.59	342.24	4.86	-58.73
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CCC(C)CC(NC(=O)NC1C[N@H+](C)C2(CCC2)C1)C(=O)[O-]	REAL300012951803	0	51	0.0	-66.13	374.92	7.05	-59.08
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C[N@@H+]1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC12CCC2	REAL300012951805	0	49	0.0	-64.77	385.32	8.22	-56.55
C[N@H+]1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC12CCC2	REAL300012951805	1	49	0.0	-64.98	383.37	8.23	-56.75
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC12CCC2	REAL300012951806	0	52	0.0	-66.18	397.39	9.39	-56.79
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC12CCC2	REAL300012951806	1	52	0.0	-69.96	395.76	9.30	-60.66
C[N@@H+]1CC(NC(=O)N2CCSCC2C(=O)[O-])CC12CCC2	REAL300012951807	0	44	0.0	-69.01	330.92	8.03	-60.98
C[N@H+]1CC(NC(=O)N2CCSCC2C(=O)[O-])CC12CCC2	REAL300012951807	1	44	0.0	-67.91	332.20	8.31	-59.60
C[N@@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC12CCC2	REAL300012951808	0	49	0.0	-62.70	365.55	7.96	-54.74
C[N@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC12CCC2	REAL300012951808	1	49	0.0	-66.94	362.78	7.92	-59.02
C[N@@H+]1CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC12CCC2	REAL300012951809	0	47	0.0	-74.28	342.41	8.62	-65.66
C[N@H+]1CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC12CCC2	REAL300012951809	1	47	0.0	-74.66	341.60	8.64	-66.02
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC12CCC2	REAL300012951810	0	42	0.0	-61.46	334.12	7.47	-53.99
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C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC12CCC2	REAL300012951811	0	42	0.0	-61.46	334.12	7.47	-53.99
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C[N@@H+]1CC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC12CCC2	REAL300012951812	0	55	0.0	-50.43	407.85	5.46	-44.97
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C[N@@H+]1CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC12CCC2	REAL300012951824	0	46	0.0	-62.63	357.11	7.26	-55.37
C[N@H+]1CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC12CCC2	REAL300012951824	1	46	0.0	-66.90	354.95	7.14	-59.76
C[N@@H+]1CC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC12CCC2	REAL300012951825	0	49	0.0	-66.49	371.23	6.58	-59.91
C[N@H+]1CC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC12CCC2	REAL300012951825	1	49	0.0	-63.78	364.41	6.46	-57.32
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C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC12CCC2	REAL300012951827	0	47	0.0	-73.43	350.70	2.94	-70.49
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C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC12CCC2	REAL300012951830	0	52	0.0	-70.03	366.94	7.58	-62.45
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC12CCC2	REAL300012951830	1	52	0.0	-63.91	366.91	7.56	-56.35
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C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC12CCC2	REAL300012951832	0	49	0.0	-69.09	358.56	7.60	-61.49
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC12CCC2	REAL300012951832	1	49	0.0	-65.37	356.41	7.48	-57.89
CC1CCC(NC(=O)NC2C[N@H+](C)C3(CCC3)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012951833	0	56	0.0	-71.05	403.82	9.46	-61.59
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C[N@@H+]1CC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC12CCC2	REAL300012951835	0	54	0.0	-55.13	397.22	10.59	-44.54
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C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC12CCC2	REAL300012951838	0	50	0.0	-74.28	389.66	7.26	-67.02
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C[N@@H+]1CC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC12CCC2	REAL300012951839	0	45	0.0	-68.88	331.94	5.85	-63.03
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C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC12CCC2	REAL300012951847	0	53	0.0	-64.51	371.38	6.15	-58.36
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C[N@@H+]1CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC12CCC2	REAL300012951850	0	47	0.0	-46.17	343.22	8.06	-38.11
C[N@H+]1CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC12CCC2	REAL300012951850	1	47	0.0	-45.75	341.02	7.98	-37.77
C[N@@H+]1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC12CCC2	REAL300012951851	0	53	0.0	-62.38	393.98	8.27	-54.11
C[N@H+]1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC12CCC2	REAL300012951851	1	53	0.0	-65.96	386.11	8.89	-57.07
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC12CCC2	REAL300012951852	0	49	0.0	-64.99	386.36	8.25	-56.74
C[N@H+]1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC12CCC2	REAL300012951852	1	49	0.0	-64.58	383.60	8.16	-56.42
COC1CC(NC(=O)NC2C[N@H+](C)C3(CCC3)C2)(C(=O)[O-])C1	REAL300012951853	0	47	0.0	-60.31	354.03	4.78	-55.53
COC1CC(NC(=O)NC2C[N@@H+](C)C3(CCC3)C2)(C(=O)[O-])C1	REAL300012951853	1	47	0.0	-64.73	351.89	4.63	-60.10
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC12CCC2	REAL300012951854	0	43	0.0	-68.23	328.66	5.79	-62.44
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC12CCC2	REAL300012951854	1	43	0.0	-63.24	330.81	5.93	-57.31
CO[C@H]1C[C@](NC(=O)NC2C[N@H+](C)C3(CCC3)C2)(C(=O)[O-])C1	REAL300012951855	0	47	0.0	-66.43	352.00	5.04	-61.39
CO[C@H]1C[C@](NC(=O)NC2C[N@@H+](C)C3(CCC3)C2)(C(=O)[O-])C1	REAL300012951855	1	47	0.0	-61.99	355.24	5.07	-56.92
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC12CCC2	REAL300012951856	0	46	0.0	-63.87	359.36	6.92	-56.95
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C[N@@H+]1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC12CCC2	REAL300012951858	0	42	0.0	-60.36	337.27	5.93	-54.43
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C[N@@H+]1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC12CCC2	REAL300012951859	0	50	0.0	-66.68	376.17	5.18	-61.50
C[N@H+]1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC12CCC2	REAL300012951859	1	50	0.0	-65.69	372.89	5.13	-60.56
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC12CCC2	REAL300012951860	0	46	0.0	-67.19	371.64	7.21	-59.98
C[N@H+]1CC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC12CCC2	REAL300012951860	1	46	0.0	-60.94	369.40	7.09	-53.85
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C[N@@H+]1CC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC12CCC2	REAL300012951876	0	50	0.0	-67.10	400.84	8.56	-58.54
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C[N@@H+]1CC(NC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC12CCC2	REAL300012951877	0	53	0.0	-65.83	411.26	8.38	-57.45
C[N@H+]1CC(NC(=O)NC(CC2=CNC3=CC=CC(F)=C23)C(=O)[O-])CC12CCC2	REAL300012951877	1	53	0.0	-71.76	409.37	8.29	-63.47
COC1(C(NC(=O)NC2C[N@H+](C)C3(CCC3)C2)C(=O)[O-])CCC1	REAL300012951878	0	50	0.0	-63.24	365.29	4.72	-58.52
COC1(C(NC(=O)NC2C[N@@H+](C)C3(CCC3)C2)C(=O)[O-])CCC1	REAL300012951878	1	50	0.0	-66.14	369.62	5.07	-61.07
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC12CCC2	REAL300012951879	0	52	0.0	-62.42	376.23	7.39	-55.03
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC12CCC2	REAL300012951879	1	52	0.0	-61.51	373.92	7.36	-54.15
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC12CCC2	REAL300012951880	0	53	0.0	-68.98	388.81	9.25	-59.73
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC12CCC2	REAL300012951880	1	53	0.0	-68.97	388.79	9.26	-59.71
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC12CCC2	REAL300012951881	0	46	0.0	-64.32	350.25	6.50	-57.82
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC12CCC2	REAL300012951881	1	46	0.0	-64.69	352.41	6.55	-58.14
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC12CCC2	REAL300012951883	0	58	0.0	-62.24	433.32	9.58	-52.66
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC12CCC2	REAL300012951883	1	58	0.0	-66.14	430.94	9.55	-56.59
CC(C)C1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(CCC3)C2)C(=O)[O-])C=C1	REAL300012951884	0	55	0.0	-66.46	415.18	9.07	-57.39
CC(C)C1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(CCC3)C2)C(=O)[O-])C=C1	REAL300012951884	1	55	0.0	-63.05	417.94	9.17	-53.88
C[N@@H+]1CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC12CCC2	REAL300012951885	0	45	0.0	-45.68	335.09	7.86	-37.82
C[N@H+]1CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC12CCC2	REAL300012951885	1	45	0.0	-52.84	335.12	7.86	-44.98
C[N@@H+]1CC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC12CCC2	REAL300012951886	0	49	0.0	-71.59	352.58	7.97	-63.62
C[N@H+]1CC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC12CCC2	REAL300012951886	1	49	0.0	-67.96	351.82	7.75	-60.21
CCOC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(CCC3)C2)C(=O)[O-])C=C1	REAL300012951887	0	53	0.0	-61.76	406.08	7.46	-54.30
CCOC1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(CCC3)C2)C(=O)[O-])C=C1	REAL300012951887	1	53	0.0	-66.63	408.87	7.54	-59.09
C[N@@H+]1CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC12CCC2	REAL300012951888	0	53	0.0	-71.67	376.12	10.01	-61.66
C[N@H+]1CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC12CCC2	REAL300012951888	1	53	0.0	-69.99	372.68	9.66	-60.33
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC12CCC2	REAL300012951889	0	53	0.0	-63.46	399.54	9.07	-54.39
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC12CCC2	REAL300012951889	1	53	0.0	-66.97	396.84	9.38	-57.59
C[N@@H+]1CC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC12CCC2	REAL300012951890	0	53	0.0	-71.89	400.17	8.26	-63.63
C[N@H+]1CC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC12CCC2	REAL300012951890	1	53	0.0	-71.46	397.43	8.18	-63.28
C[N@@H+]1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC12CCC2	REAL300012951891	0	49	0.0	-58.77	385.52	8.35	-50.42
C[N@H+]1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC12CCC2	REAL300012951891	1	49	0.0	-62.82	384.67	8.34	-54.48
CC(C)CCC(NC(=O)NC1C[N@H+](C)C2(CCC2)C1)C(=O)[O-]	REAL300012951892	0	51	0.0	-61.17	379.14	7.20	-53.97
CC(C)CCC(NC(=O)NC1C[N@@H+](C)C2(CCC2)C1)C(=O)[O-]	REAL300012951892	1	51	0.0	-61.17	381.71	7.26	-53.91
C[N@@H+]1CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC12CCC2	REAL300012951893	0	50	0.0	-45.55	367.02	8.53	-37.02
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CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](C)C3(CCC3)C2)C1	REAL300012951895	0	47	0.0	-68.49	360.80	8.11	-60.38
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](C)C3(CCC3)C2)C1	REAL300012951895	1	47	0.0	-69.52	363.37	8.22	-61.30
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC12CCC2	REAL300012951896	0	50	0.0	-65.81	356.70	7.97	-57.84
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC12CCC2	REAL300012951896	1	50	0.0	-62.56	356.89	7.65	-54.91
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC12CCC2	REAL300012951897	0	47	0.0	-71.64	343.81	7.07	-64.57
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC12CCC2	REAL300012951897	1	47	0.0	-63.81	342.55	6.77	-57.04
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC12CCC2	REAL300012951898	0	50	0.0	-68.94	365.32	7.48	-61.46
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC12CCC2	REAL300012951898	1	50	0.0	-63.46	362.61	7.39	-56.07
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C[N@@H+]1CC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC12CCC2	REAL300012951900	0	56	0.0	-53.13	396.88	9.47	-43.66
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C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC12CCC2	REAL300012951902	0	49	0.0	-49.65	378.50	9.98	-39.67
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC12CCC2	REAL300012951902	1	49	0.0	-55.13	375.80	9.89	-45.24
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C[N@@H+]1CC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC12CCC2	REAL300012951904	0	49	0.0	-53.00	360.85	7.75	-45.25
C[N@H+]1CC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC12CCC2	REAL300012951904	1	49	0.0	-44.85	357.41	7.76	-37.09
C[N@@H+]1CC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC12CCC2	REAL300012951905	0	50	0.0	-68.08	380.39	10.29	-57.79
C[N@H+]1CC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC12CCC2	REAL300012951905	1	50	0.0	-49.99	384.43	9.61	-40.38
C[N@@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC12CCC2	REAL300012951906	0	52	0.0	-63.61	404.04	8.99	-54.62
C[N@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC12CCC2	REAL300012951906	1	52	0.0	-63.58	401.57	8.91	-54.67
C[N@@H+]1CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC12CCC2	REAL300012951907	0	46	0.0	-70.39	342.77	8.43	-61.96
C[N@H+]1CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC12CCC2	REAL300012951907	1	46	0.0	-67.27	342.80	8.16	-59.11
C[N@@H+]1CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC12CCC2	REAL300012951908	0	43	0.0	-71.57	334.03	6.78	-64.79
C[N@H+]1CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC12CCC2	REAL300012951908	1	43	0.0	-71.87	328.98	6.92	-64.95
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC12CCC2	REAL300012951909	0	49	0.0	-64.99	386.36	8.25	-56.74
C[N@H+]1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC12CCC2	REAL300012951909	1	49	0.0	-64.58	383.60	8.16	-56.42
C[N@@H+]1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC12CCC2	REAL300012951910	0	46	0.0	-62.49	370.83	7.09	-55.40
C[N@H+]1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC12CCC2	REAL300012951910	1	46	0.0	-61.49	367.88	7.06	-54.43
C[N@@H+]1CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC12CCC2	REAL300012951911	0	46	0.0	-60.69	349.20	7.73	-52.96
C[N@H+]1CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC12CCC2	REAL300012951911	1	46	0.0	-65.27	349.23	7.70	-57.57
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC12CCC2	REAL300012951912	0	50	0.0	-65.33	384.51	7.86	-57.47
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC12CCC2	REAL300012951912	1	50	0.0	-65.00	382.01	7.81	-57.19
C[N@@H+]1CC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC12CCC2	REAL300012951913	0	54	0.0	-70.91	408.52	9.49	-61.42
C[N@H+]1CC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC12CCC2	REAL300012951913	1	54	0.0	-70.74	408.27	9.58	-61.16
C[N@@H+]1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC12CCC2	REAL300012951914	0	46	0.0	-62.49	370.83	7.09	-55.40
C[N@H+]1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC12CCC2	REAL300012951914	1	46	0.0	-61.49	367.88	7.06	-54.43
C[N@@H+]1CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC12CCC2	REAL300012951915	0	50	0.0	-67.85	359.19	8.37	-59.48
C[N@H+]1CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC12CCC2	REAL300012951915	1	50	0.0	-73.88	359.12	8.39	-65.49
COCCCC(NC(=O)NC1C[N@H+](C)C2(CCC2)C1)C(=O)[O-]	REAL300012951916	0	49	0.0	-65.35	373.99	4.91	-60.44
COCCCC(NC(=O)NC1C[N@@H+](C)C2(CCC2)C1)C(=O)[O-]	REAL300012951916	1	49	0.0	-61.70	376.75	5.00	-56.70
C[N@@H+]1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC12CCC2	REAL300012951917	0	51	0.0	-67.11	372.14	7.62	-59.49
C[N@H+]1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC12CCC2	REAL300012951917	1	51	0.0	-67.06	369.67	7.47	-59.59
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC12CCC2	REAL300012951918	0	50	0.0	-70.01	372.57	5.69	-64.32
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC12CCC2	REAL300012951918	1	50	0.0	-62.75	369.23	5.23	-57.52
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC12CCC2	REAL300012951919	0	46	0.0	-60.60	378.77	7.83	-52.77
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC12CCC2	REAL300012951919	1	46	0.0	-64.25	378.56	7.90	-56.35
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC12CCC2	REAL300012951920	0	50	0.0	-68.86	374.31	8.45	-60.41
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC12CCC2	REAL300012951920	1	50	0.0	-63.02	374.66	8.37	-54.65
C[C@H]1OCCN(C(=O)NC2C[N@H+](C)C3(CCC3)C2)[C@@H]1C(=O)[O-]	REAL300012951921	0	47	0.0	-68.50	342.05	6.34	-62.16
C[C@H]1OCCN(C(=O)NC2C[N@@H+](C)C3(CCC3)C2)[C@@H]1C(=O)[O-]	REAL300012951921	1	47	0.0	-67.18	342.41	6.37	-60.81
C[N@@H+]1CC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC12CCC2	REAL300012951922	0	49	0.0	-62.20	362.77	8.01	-54.19
C[N@H+]1CC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC12CCC2	REAL300012951922	1	49	0.0	-63.79	360.20	7.97	-55.82
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC12CCC2	REAL300012951923	0	60	0.0	-65.00	413.20	9.31	-55.69
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC12CCC2	REAL300012951923	1	60	0.0	-70.76	413.83	9.31	-61.45
C[N@@H+]1CC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC12CCC2	REAL300012951924	0	52	0.0	-63.62	404.50	8.54	-55.08
C[N@H+]1CC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC12CCC2	REAL300012951924	1	52	0.0	-67.26	401.76	8.47	-58.79
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC12CCC2	REAL300012951925	0	46	0.0	-50.59	360.17	8.12	-42.47
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC12CCC2	REAL300012951925	1	46	0.0	-50.81	351.81	7.79	-43.02
C[N@@H+]1CC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC12CCC2	REAL300012951926	0	57	0.0	-70.00	391.50	8.72	-61.28
C[N@H+]1CC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC12CCC2	REAL300012951926	1	57	0.0	-69.81	394.10	8.83	-60.98
C[N@@H+]1CC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC12CCC2	REAL300012951927	0	48	0.0	-62.73	391.56	6.77	-55.96
C[N@H+]1CC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC12CCC2	REAL300012951927	1	48	0.0	-66.91	389.07	6.75	-60.16
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](C)C3(CCC3)C2)C1	REAL300012951928	0	50	0.0	-67.57	374.73	7.07	-60.50
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](C)C3(CCC3)C2)C1	REAL300012951928	1	50	0.0	-66.92	372.88	6.94	-59.98
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCOC(N)=O)CC1	REAL300012952246	0	51	0.0	-62.71	397.63	0.97	-61.74
CC(C)C[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952623	0	61	0.0	-64.17	446.04	10.41	-53.76
CC(C)C[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952623	1	61	0.0	-64.14	449.75	10.51	-53.63
C=CC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952624	0	59	0.0	-66.83	432.81	9.89	-56.94
C=CC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952624	1	59	0.0	-63.99	443.41	10.33	-53.66
CC1CCN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C(C(=O)[O-])C1	REAL300012952625	0	62	0.0	-75.62	444.35	12.98	-62.64
CC1CCN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C(C(=O)[O-])C1	REAL300012952625	1	62	0.0	-73.20	443.28	13.00	-60.20
CCCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952626	0	58	0.0	-49.42	426.87	11.64	-37.78
CCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952626	1	58	0.0	-54.16	430.97	11.84	-42.32
CC(C(=O)[O-])N(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CCC1	REAL300012952627	0	62	0.0	-52.98	439.63	12.13	-40.85
CC(C(=O)[O-])N(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CCC1	REAL300012952627	1	62	0.0	-51.38	442.23	12.27	-39.11
CC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952628	0	58	0.0	-63.19	423.42	9.67	-53.52
CC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952628	1	58	0.0	-68.18	423.51	9.51	-58.67
O=C([O-])C1CCCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952629	0	59	0.0	-71.80	419.66	12.07	-59.73
O=C([O-])C1CCCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952629	1	59	0.0	-72.97	422.46	12.39	-60.58
O=C([O-])C1(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCCCC1	REAL300012952630	0	62	0.0	-71.16	437.00	11.39	-59.77
O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCCCC1	REAL300012952630	1	62	0.0	-67.30	440.65	11.37	-55.93
O=C([O-])C1CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952631	0	56	0.0	-70.39	410.86	10.63	-59.76
O=C([O-])C1CCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952631	1	56	0.0	-69.33	411.80	10.68	-58.65
O=C([O-])C1(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCCC1	REAL300012952632	0	59	0.0	-69.62	425.54	10.28	-59.34
O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCCC1	REAL300012952632	1	59	0.0	-70.52	426.81	10.31	-60.21
O=C([O-])CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952633	0	49	0.0	-56.25	364.83	7.23	-49.02
O=C([O-])CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952633	1	49	0.0	-57.34	368.92	7.44	-49.90
CCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952634	0	55	0.0	-66.91	408.30	9.05	-57.86
CCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952634	1	55	0.0	-67.21	413.55	9.36	-57.85
CC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952635	0	58	0.0	-63.19	423.42	9.67	-53.52
CC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952635	1	58	0.0	-68.18	423.51	9.51	-58.67
CN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952636	0	52	0.0	-63.64	384.41	9.89	-53.75
CN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952636	1	52	0.0	-67.03	387.97	10.02	-57.01
CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952637	0	52	0.0	-57.73	386.78	8.00	-49.73
CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952637	1	52	0.0	-59.32	389.59	8.16	-51.16
CCC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952638	0	61	0.0	-65.65	440.49	10.22	-55.43
CCC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952638	1	61	0.0	-66.92	441.90	10.20	-56.72
CN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952639	0	52	0.0	-63.64	384.41	9.89	-53.75
CN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952639	1	52	0.0	-67.03	387.97	10.02	-57.01
O=C([O-])C1CCCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952640	0	59	0.0	-71.80	419.66	12.07	-59.73
O=C([O-])C1CCCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952640	1	59	0.0	-72.97	422.46	12.39	-60.58
CCCC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952641	0	61	0.0	-62.69	433.93	10.17	-52.52
CCCC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952641	1	61	0.0	-62.77	437.16	10.40	-52.37
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952642	0	58	0.0	-49.07	416.53	11.24	-37.83
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952642	1	58	0.0	-68.81	419.98	11.36	-57.45
O=C([O-])CN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CC1	REAL300012952643	0	56	0.0	-67.85	413.49	11.49	-56.36
O=C([O-])CN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CC1	REAL300012952643	1	56	0.0	-56.14	412.54	11.62	-44.52
C=CCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952644	0	56	0.0	-53.58	419.04	11.43	-42.15
C=CCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952644	1	56	0.0	-54.61	425.13	11.71	-42.90
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952645	0	61	0.0	-49.29	441.53	12.15	-37.14
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952645	1	61	0.0	-54.80	448.48	12.42	-42.38
CC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952646	0	55	0.0	-56.56	399.03	8.43	-48.13
CC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952646	1	55	0.0	-57.16	405.13	8.72	-48.44
CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)(C(=O)[O-])C1CC1	REAL300012952647	0	59	0.0	-65.80	421.08	10.18	-55.62
CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)(C(=O)[O-])C1CC1	REAL300012952647	1	59	0.0	-67.86	425.51	10.30	-57.56
O=C([O-])C1(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCCCC1	REAL300012952648	0	62	0.0	-71.16	437.00	11.39	-59.77
O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCCCC1	REAL300012952648	1	62	0.0	-67.30	440.65	11.37	-55.93
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952649	0	58	0.0	-49.07	416.53	11.24	-37.83
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952649	1	58	0.0	-68.81	419.98	11.36	-57.45
CCCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952650	0	58	0.0	-49.42	426.87	11.64	-37.78
CCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952650	1	58	0.0	-54.16	430.97	11.84	-42.32
CCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952651	0	55	0.0	-63.65	406.23	10.87	-52.78
CCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952651	1	55	0.0	-67.52	409.35	10.98	-56.54
CC[C@H](C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952652	0	61	0.0	-64.65	438.69	10.03	-54.62
CC[C@H](C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952652	1	61	0.0	-66.40	444.71	10.17	-56.23
O=C([O-])C1(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCCC1	REAL300012952653	0	59	0.0	-69.62	425.54	10.28	-59.34
O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCCC1	REAL300012952653	1	59	0.0	-70.52	426.81	10.31	-60.21
CCC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952654	0	58	0.0	-62.44	412.43	9.42	-53.02
CCC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952654	1	58	0.0	-66.65	418.53	9.71	-56.94
C[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952655	0	52	0.0	-56.48	385.62	8.05	-48.43
C[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952655	1	52	0.0	-58.70	390.32	8.26	-50.44
CCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952656	0	55	0.0	-63.65	406.23	10.87	-52.78
CCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952656	1	55	0.0	-67.52	409.35	10.98	-56.54
C[C@@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952657	0	52	0.0	-57.23	388.10	8.08	-49.15
C[C@@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952657	1	52	0.0	-58.19	389.61	8.11	-50.08
O=C([O-])C1(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CC1	REAL300012952658	0	53	0.0	-69.03	396.85	9.31	-59.72
O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CC1	REAL300012952658	1	53	0.0	-71.48	395.74	9.36	-62.12
O=C([O-])C1COCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952659	0	57	0.0	-72.64	409.52	9.68	-62.96
O=C([O-])C1COCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952659	1	57	0.0	-71.18	412.28	9.79	-61.39
O=C([O-])C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CC1	REAL300012952660	0	56	0.0	-63.01	415.01	9.60	-53.41
O=C([O-])C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CC1	REAL300012952660	1	56	0.0	-69.84	419.86	9.71	-60.13
COCCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952661	0	59	0.0	-50.44	436.75	10.06	-40.38
COCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952661	1	59	0.0	-55.69	440.73	10.51	-45.18
O=C([O-])[C@H]1CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952662	0	56	0.0	-73.67	411.44	10.67	-63.00
O=C([O-])[C@H]1CCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952662	1	56	0.0	-73.24	411.07	10.70	-62.54
O=C([O-])[C@H]1CCCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952663	0	59	0.0	-71.49	419.64	12.06	-59.43
O=C([O-])[C@H]1CCCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952663	1	59	0.0	-73.97	417.89	12.16	-61.81
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952664	0	55	0.0	-63.74	398.06	10.13	-53.61
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952664	1	55	0.0	-61.50	401.64	10.12	-51.38
O=C([O-])[C@@H]1CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952665	0	56	0.0	-70.22	410.24	10.67	-59.55
O=C([O-])[C@@H]1CCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952665	1	56	0.0	-74.80	408.70	10.75	-64.05
O=C([O-])C1(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCC1	REAL300012952666	0	56	0.0	-68.90	408.32	9.78	-59.12
O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCC1	REAL300012952666	1	56	0.0	-69.11	410.51	10.00	-59.11
C=CCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952667	0	56	0.0	-63.94	421.58	9.52	-54.42
C=CCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952667	1	56	0.0	-64.50	427.67	9.80	-54.70
CC1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952668	0	59	0.0	-69.69	426.32	11.61	-58.08
CC1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952668	1	59	0.0	-72.12	428.01	11.63	-60.49
O=C([O-])C1CCCCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952669	0	62	0.0	-70.75	433.26	12.61	-58.14
O=C([O-])C1CCCCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952669	1	62	0.0	-73.86	433.98	12.70	-61.16
O=C([O-])C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CC1	REAL300012952670	0	56	0.0	-63.01	415.01	9.60	-53.41
O=C([O-])C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CC1	REAL300012952670	1	56	0.0	-69.84	419.86	9.71	-60.13
CC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952671	0	55	0.0	-62.32	402.28	10.27	-52.05
CC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952671	1	55	0.0	-62.61	401.40	10.19	-52.42
CCCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952672	0	61	0.0	-66.77	451.29	10.60	-56.17
CCCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952672	1	61	0.0	-63.98	457.14	10.95	-53.03
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952673	0	59	0.0	-72.25	425.74	11.58	-60.67
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952673	1	59	0.0	-72.44	428.10	11.70	-60.74
O=C([O-])CN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CCCC1	REAL300012952674	0	62	0.0	-54.08	444.79	12.55	-41.53
O=C([O-])CN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CCCC1	REAL300012952674	1	62	0.0	-54.16	443.63	12.59	-41.57
COCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952675	0	56	0.0	-67.72	419.67	7.28	-60.44
COCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952675	1	56	0.0	-65.43	426.11	7.63	-57.80
CN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1(C(=O)[O-])CCCC1	REAL300012952676	0	62	0.0	-69.01	438.37	12.07	-56.94
CN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1(C(=O)[O-])CCCC1	REAL300012952676	1	62	0.0	-72.81	437.84	12.08	-60.73
CC(C(=O)[O-])N(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CC1	REAL300012952677	0	59	0.0	-52.54	424.60	11.48	-41.06
CC(C(=O)[O-])N(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CC1	REAL300012952677	1	59	0.0	-54.58	427.92	11.58	-43.00
CCC(C(=O)[O-])N(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CC1	REAL300012952678	0	62	0.0	-60.59	446.10	12.78	-47.81
CCC(C(=O)[O-])N(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CC1	REAL300012952678	1	62	0.0	-64.24	439.10	12.34	-51.90
COCC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952679	0	59	0.0	-70.02	430.68	8.70	-61.32
COCC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952679	1	59	0.0	-71.16	436.77	8.99	-62.17
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952680	0	61	0.0	-49.29	441.53	12.15	-37.14
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952680	1	61	0.0	-54.80	448.48	12.42	-42.38
O=C([O-])CN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CC1	REAL300012952681	0	56	0.0	-67.85	413.49	11.49	-56.36
O=C([O-])CN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CC1	REAL300012952681	1	56	0.0	-56.14	412.54	11.62	-44.52
O=C([O-])C1(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCOC1	REAL300012952682	0	57	0.0	-65.74	415.55	7.58	-58.16
O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCOC1	REAL300012952682	1	57	0.0	-65.40	416.77	7.67	-57.73
C=CCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952683	0	59	0.0	-66.47	442.61	10.38	-56.09
C=CCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952683	1	59	0.0	-64.58	448.70	10.67	-53.91
O=C([O-])C(CF)NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952684	0	52	0.0	-54.72	390.09	8.05	-46.67
O=C([O-])C(CF)NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952684	1	52	0.0	-54.77	393.32	8.28	-46.49
CC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952685	0	55	0.0	-62.32	402.28	10.27	-52.05
CC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952685	1	55	0.0	-62.61	401.40	10.19	-52.42
CCC(CC)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952686	0	61	0.0	-65.26	427.97	10.32	-54.94
CCC(CC)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952686	1	61	0.0	-67.37	432.40	10.44	-56.93
CCC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952687	0	61	0.0	-48.73	436.10	12.21	-36.52
CCC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952687	1	61	0.0	-50.82	440.10	12.33	-38.49
O=C([O-])C(CC1CC1)NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952688	0	59	0.0	-64.26	441.90	10.79	-53.47
O=C([O-])C(CC1CC1)NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952688	1	59	0.0	-67.15	445.16	10.91	-56.24
COCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952689	0	59	0.0	-66.70	441.14	8.13	-58.57
COCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952689	1	59	0.0	-65.05	448.06	8.40	-56.65
O=C([O-])C(CC(F)F)NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952690	0	55	0.0	-66.77	420.65	9.34	-57.43
O=C([O-])C(CC(F)F)NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952690	1	55	0.0	-64.35	426.50	9.69	-54.66
CCCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(C)C(=O)[O-]	REAL300012952691	0	61	0.0	-40.37	437.02	12.45	-27.92
CCCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(C)C(=O)[O-]	REAL300012952691	1	61	0.0	-42.79	441.92	12.57	-30.22
O=C([O-])C(CCF)NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952692	0	55	0.0	-66.13	414.89	9.19	-56.94
O=C([O-])C(CCF)NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952692	1	55	0.0	-63.89	420.98	9.48	-54.41
CC(CCF)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952693	0	58	0.0	-59.88	419.02	9.56	-50.32
CC(CCF)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952693	1	58	0.0	-63.40	422.27	9.79	-53.61
C[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952694	0	55	0.0	-63.56	400.85	10.21	-53.35
C[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952694	1	55	0.0	-62.05	401.95	10.26	-51.79
O=C([O-])C12CC(C1)CN2C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952695	0	57	0.0	-73.43	413.71	11.67	-61.76
O=C([O-])C12CC(C1)CN2C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952695	1	57	0.0	-76.90	419.39	11.68	-65.22
CC(C)(C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952696	0	61	0.0	-64.82	438.24	10.18	-54.64
CC(C)(C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952696	1	61	0.0	-64.96	442.65	10.33	-54.63
C=C(C)CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952697	0	59	0.0	-64.71	441.44	10.36	-54.35
C=C(C)CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952697	1	59	0.0	-67.90	448.24	10.53	-57.37
O=C([O-])C12CCC(CC1)N2C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952698	0	60	0.0	-76.77	428.28	12.38	-64.39
O=C([O-])C12CCC(CC1)N2C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952698	1	60	0.0	-79.09	432.21	12.64	-66.45
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952699	0	56	0.0	-67.60	416.22	10.78	-56.82
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952699	1	56	0.0	-68.16	417.66	10.75	-57.41
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C1	REAL300012952700	0	57	0.0	-73.64	424.20	11.05	-62.59
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C1	REAL300012952700	1	57	0.0	-70.00	424.45	11.13	-58.87
CC(C)C[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952701	0	61	0.0	-64.17	446.04	10.41	-53.76
CC(C)C[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952701	1	61	0.0	-64.14	449.75	10.51	-53.63
O=C([O-])C(CC1CC1)NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952702	0	59	0.0	-64.26	441.90	10.79	-53.47
O=C([O-])C(CC1CC1)NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952702	1	59	0.0	-67.15	445.16	10.91	-56.24
CSCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952703	0	56	0.0	-62.92	431.09	9.50	-53.42
CSCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952703	1	56	0.0	-61.69	437.85	9.76	-51.93
COC[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952704	0	56	0.0	-65.60	419.96	7.35	-58.25
COC[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952704	1	56	0.0	-66.31	424.84	7.44	-58.87
CC[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952705	0	55	0.0	-63.80	407.45	9.08	-54.72
CC[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952705	1	55	0.0	-68.41	408.82	9.30	-59.11
C=CCCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952706	0	62	0.0	-65.60	463.27	11.19	-54.41
C=CCCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952706	1	62	0.0	-64.79	470.20	11.45	-53.34
O=C([O-])[C@H]1CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952707	0	56	0.0	-73.67	411.44	10.67	-63.00
O=C([O-])[C@H]1CCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952707	1	56	0.0	-73.24	411.07	10.70	-62.54
CCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952708	0	58	0.0	-66.10	428.96	9.84	-56.26
CCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952708	1	58	0.0	-67.26	435.05	10.12	-57.14
CC(C)[C@@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952709	0	58	0.0	-65.68	419.56	9.40	-56.28
CC(C)[C@@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952709	1	58	0.0	-64.16	422.56	9.58	-54.58
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952710	0	60	0.0	-76.12	430.80	12.62	-63.50
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952710	1	60	0.0	-77.69	432.46	12.71	-64.98
CCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012952711	0	61	0.0	-66.99	431.74	11.75	-55.24
CCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012952711	1	61	0.0	-66.18	439.03	12.01	-54.17
CCCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(C)C(=O)[O-]	REAL300012952712	0	61	0.0	-40.37	437.02	12.45	-27.92
CCCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(C)C(=O)[O-]	REAL300012952712	1	61	0.0	-42.79	441.92	12.57	-30.22
CN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012952713	0	58	0.0	-65.72	413.07	11.02	-54.70
CN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012952713	1	58	0.0	-66.60	416.61	11.05	-55.55
O=C([O-])[C@@H]1CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952714	0	56	0.0	-70.22	410.24	10.67	-59.55
O=C([O-])[C@@H]1CCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952714	1	56	0.0	-74.80	408.70	10.75	-64.05
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952715	0	57	0.0	-75.70	422.67	7.28	-68.42
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952715	1	57	0.0	-73.08	423.67	7.38	-65.70
CCC[C@@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952716	0	58	0.0	-65.37	428.95	9.83	-55.54
CCC[C@@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952716	1	58	0.0	-66.98	433.14	10.02	-56.96
C=CCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952717	0	59	0.0	-66.47	442.61	10.38	-56.09
C=CCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952717	1	59	0.0	-64.58	448.70	10.67	-53.91
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952718	0	59	0.0	-72.08	428.72	11.71	-60.37
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952718	1	59	0.0	-73.32	428.10	11.64	-61.68
CC(C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952719	0	58	0.0	-66.83	421.87	9.51	-57.32
CC(C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952719	1	58	0.0	-63.92	427.64	9.75	-54.17
C[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952720	0	55	0.0	-63.56	400.85	10.21	-53.35
C[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952720	1	55	0.0	-62.05	401.95	10.26	-51.79
CCC[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952721	0	58	0.0	-64.20	429.60	9.88	-54.32
CCC[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952721	1	58	0.0	-67.27	433.03	10.06	-57.21
CCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(C)C(=O)[O-]	REAL300012952722	0	58	0.0	-62.23	419.54	11.09	-51.14
CCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(C)C(=O)[O-]	REAL300012952722	1	58	0.0	-61.91	422.09	11.18	-50.73
O=C([O-])CN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CCCC1	REAL300012952723	0	62	0.0	-54.08	444.79	12.55	-41.53
O=C([O-])CN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CCCC1	REAL300012952723	1	62	0.0	-54.16	443.63	12.59	-41.57
CC(CN(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952724	0	58	0.0	-68.00	418.64	10.54	-57.46
CC(CN(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952724	1	58	0.0	-68.80	422.77	10.78	-58.02
CC[C@H](C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952725	0	61	0.0	-64.65	438.69	10.03	-54.62
CC[C@H](C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952725	1	61	0.0	-66.40	444.71	10.17	-56.23
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952726	0	58	0.0	-64.40	418.67	11.20	-53.20
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952726	1	58	0.0	-65.39	421.96	11.26	-54.13
CC1CCC(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)(C(=O)[O-])C1	REAL300012952727	0	62	0.0	-69.83	445.63	10.91	-58.92
CC1CCC(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)(C(=O)[O-])C1	REAL300012952727	1	62	0.0	-70.04	448.60	10.91	-59.13
COCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952728	0	59	0.0	-66.70	441.14	8.13	-58.57
COCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952728	1	59	0.0	-65.05	448.06	8.40	-56.65
CC1(C)CC(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)(C(=O)[O-])C1	REAL300012952729	0	62	0.0	-69.50	444.65	11.47	-58.03
CC1(C)CC(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)(C(=O)[O-])C1	REAL300012952729	1	62	0.0	-69.02	448.78	11.57	-57.45
CC1(C(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C(=O)[O-])CC1	REAL300012952730	0	59	0.0	-67.92	431.06	10.43	-57.49
CC1(C(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C(=O)[O-])CC1	REAL300012952730	1	59	0.0	-67.16	434.74	10.53	-56.63
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952731	0	57	0.0	-74.97	421.82	7.55	-67.42
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952731	1	57	0.0	-78.80	420.98	7.54	-71.26
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952732	0	60	0.0	-73.96	431.37	12.32	-61.64
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952732	1	60	0.0	-73.53	432.29	12.20	-61.33
O=C([O-])C12COC(CN1C(=O)NC1C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C1)C2	REAL300012952733	0	58	0.0	-69.80	420.06	9.88	-59.92
O=C([O-])C12COC(CN1C(=O)NC1C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C1)C2	REAL300012952733	1	58	0.0	-73.12	424.69	9.90	-63.22
CC1CCC(C(=O)[O-])N(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C1	REAL300012952734	0	62	0.0	-70.70	438.99	12.57	-58.13
CC1CCC(C(=O)[O-])N(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C1	REAL300012952734	1	62	0.0	-73.45	441.92	12.68	-60.77
O=C([O-])C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CCC1	REAL300012952735	0	59	0.0	-63.99	429.56	10.10	-53.89
O=C([O-])C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CCC1	REAL300012952735	1	59	0.0	-65.37	431.52	10.16	-55.21
O=C([O-])C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CCC1	REAL300012952736	0	59	0.0	-63.99	429.56	10.10	-53.89
O=C([O-])C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CCC1	REAL300012952736	1	59	0.0	-65.37	431.52	10.16	-55.21
CC1CCN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C1C(=O)[O-]	REAL300012952737	0	59	0.0	-75.50	428.72	11.38	-64.12
CC1CCN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C1C(=O)[O-]	REAL300012952737	1	59	0.0	-71.55	427.97	11.27	-60.28
C=CCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952738	0	56	0.0	-63.94	421.58	9.52	-54.42
C=CCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952738	1	56	0.0	-64.50	427.67	9.80	-54.70
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952739	0	60	0.0	-51.59	432.02	12.10	-39.49
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952739	1	60	0.0	-41.07	432.98	12.23	-28.84
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952740	0	62	0.0	-70.81	439.00	12.81	-58.00
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952740	1	62	0.0	-73.03	443.82	12.78	-60.25
O=C([O-])C1(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)COC1	REAL300012952741	0	54	0.0	-63.10	399.40	6.80	-56.30
O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)COC1	REAL300012952741	1	54	0.0	-65.11	403.49	6.90	-58.21
CC(C)C(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952742	0	61	0.0	-66.24	427.36	10.04	-56.20
CC(C)C(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952742	1	61	0.0	-63.99	435.26	10.39	-53.60
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952743	0	57	0.0	-72.78	418.20	12.19	-60.59
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952743	1	57	0.0	-75.10	417.86	12.33	-62.77
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952744	0	60	0.0	-75.03	429.61	11.85	-63.18
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952744	1	60	0.0	-75.32	433.36	11.70	-63.62
CCC(C(=O)[O-])N(CC)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952745	0	61	0.0	-62.10	432.08	11.82	-50.28
CCC(C(=O)[O-])N(CC)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952745	1	61	0.0	-65.90	436.16	11.99	-53.91
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952746	0	56	0.0	-67.60	416.22	10.78	-56.82
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952746	1	56	0.0	-68.16	417.66	10.75	-57.41
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952747	0	58	0.0	-51.06	424.36	11.85	-39.21
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952747	1	58	0.0	-54.07	424.25	11.99	-42.08
CC1(C)CCN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C1C(=O)[O-]	REAL300012952748	0	62	0.0	-70.85	444.79	11.67	-59.18
CC1(C)CCN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C1C(=O)[O-]	REAL300012952748	1	62	0.0	-73.55	445.11	11.87	-61.68
O=C([O-])C1(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCC2CC21	REAL300012952749	0	60	0.0	-71.81	432.99	11.15	-60.66
O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCC2CC21	REAL300012952749	1	60	0.0	-68.78	436.83	11.31	-57.47
O=C([O-])C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CCCC1	REAL300012952750	0	62	0.0	-63.29	446.76	10.81	-52.48
O=C([O-])C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C1CCCC1	REAL300012952750	1	62	0.0	-65.34	447.81	10.80	-54.54
CO[C@H](C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952751	0	59	0.0	-65.35	440.46	8.46	-56.89
CO[C@H](C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952751	1	59	0.0	-65.84	441.29	8.49	-57.35
CC1[C@@H](C)[C@@]1(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952752	0	59	0.0	-71.92	435.90	11.00	-60.92
CC1[C@@H](C)[C@@]1(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952752	1	59	0.0	-68.56	430.65	10.70	-57.86
CC1(C)CC(C(=O)[O-])N(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C1	REAL300012952753	0	62	0.0	-51.65	450.00	11.82	-39.83
CC1(C)CC(C(=O)[O-])N(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C1	REAL300012952753	1	62	0.0	-45.12	448.40	11.92	-33.20
CCCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952754	0	61	0.0	-66.69	445.42	11.98	-54.71
CCCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952754	1	61	0.0	-63.08	443.33	12.11	-50.97
CCOCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952755	0	59	0.0	-68.08	441.52	8.26	-59.82
CCOCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952755	1	59	0.0	-69.05	447.61	8.55	-60.50
N#CCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952756	0	56	0.0	-68.76	428.32	9.58	-59.18
N#CCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300012952756	1	56	0.0	-66.66	435.24	9.84	-56.82
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952757	0	55	0.0	-63.74	398.06	10.13	-53.61
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300012952757	1	55	0.0	-61.50	401.64	10.12	-51.38
CN(C)C(=O)CCCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012952928	0	62	0.0	-66.39	467.56	6.77	-59.62
CC1=NC2=CC(CNC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])=CC=C2N1	REAL300012953239	0	56	0.0	-72.27	438.86	6.91	-65.36
CC1=NC2=CC=C(CNC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])C=C2N1	REAL300012953239	1	56	0.0	-66.83	438.88	6.91	-59.92
CC1=CN=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N=C1C	REAL300012954113	0	57	0.0	-64.07	436.45	6.28	-57.79
C[C@@H]1[C@@H](CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1(F)F	REAL300012955128	0	50	0.0	-65.71	394.70	6.74	-58.97
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CC3(CCC3)C2)CC1	REAL300012955618	0	60	0.0	-62.10	449.88	9.11	-52.99
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=CN=C2Cl)CC1	REAL300012956995	0	52	0.0	-64.17	415.18	6.48	-57.69
CC1=NC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N1C	REAL300012957227	0	53	0.0	-63.47	412.74	6.38	-57.09
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CSC(Cl)=C2)CC1	REAL300012957735	0	47	0.0	-62.51	398.21	6.97	-55.54
CC(C)C[C@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958166	1	52	0.0	-69.60	405.04	9.38	-60.22
C=CCOCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958167	1	51	0.0	-71.25	413.19	7.77	-63.48
C=CC(C)C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958168	1	50	0.0	-72.64	392.14	8.85	-63.79
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCOCC1	REAL300012958169	1	54	0.0	-75.15	411.07	7.77	-67.38
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=C(F)C(F)=C1	REAL300012958170	1	50	0.0	-65.78	415.41	10.18	-55.60
COC1CCN(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(C(=O)[O-])C1	REAL300012958171	1	54	0.0	-80.33	406.78	10.00	-70.33
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCCOC1	REAL300012958172	1	54	0.0	-69.82	410.46	7.87	-61.95
CC1CCN(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(C(=O)[O-])C1	REAL300012958173	1	53	0.0	-80.35	397.60	11.78	-68.57
CC1=CC(C(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(=O)[O-])=CC=C1F	REAL300012958174	1	53	0.0	-67.60	428.86	10.78	-56.82
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=C2OCCC2=C1	REAL300012958175	1	55	0.0	-70.99	438.04	9.93	-61.06
CC1=CC(C)=CC(C(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(=O)[O-])=C1	REAL300012958176	1	56	0.0	-73.75	445.58	11.38	-62.37
CC1=CC=C(C(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(=O)[O-])C=C1C	REAL300012958177	1	56	0.0	-72.41	441.13	11.26	-61.15
CC1=CC=CC(C(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(=O)[O-])=C1C	REAL300012958178	1	56	0.0	-71.77	432.74	11.08	-60.69
CCCN(CC(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958179	1	49	0.0	-56.48	386.00	10.54	-45.94
CC(C(=O)[O-])N(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCC1	REAL300012958180	1	53	0.0	-59.61	398.78	10.89	-48.72
CCCN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(COC)C(=O)[O-]	REAL300012958181	1	56	0.0	-74.78	427.89	11.51	-63.27
CCCN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(CC)C(=O)[O-]	REAL300012958182	1	55	0.0	-51.82	410.82	12.21	-39.61
CC(C)C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958183	1	49	0.0	-71.10	378.01	8.39	-62.71
O=C([O-])C1CCCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958184	1	50	0.0	-80.18	376.67	11.16	-69.02
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=C(Cl)C=C1	REAL300012958185	1	50	0.0	-67.34	418.84	10.60	-56.74
O=C([O-])C1CSCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958186	1	48	0.0	-77.57	376.50	11.02	-66.55
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCCCC1	REAL300012958187	1	53	0.0	-75.23	396.09	10.18	-65.05
O=C([O-])C1CCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958188	1	47	0.0	-75.56	365.36	9.89	-65.67
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCCC1	REAL300012958189	1	50	0.0	-73.69	381.01	9.05	-64.64
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCCCCC1	REAL300012958190	1	56	0.0	-75.83	401.76	10.86	-64.97
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958191	1	53	0.0	-73.14	425.01	11.00	-62.14
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958192	1	53	0.0	-56.85	423.50	12.79	-44.06
O=C([O-])[C@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=CC=C1	REAL300012958193	1	50	0.0	-73.00	402.76	10.06	-62.94
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=CC=C1	REAL300012958194	1	50	0.0	-70.87	402.10	10.08	-60.79
CCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958195	1	46	0.0	-69.08	365.75	7.99	-61.09
CC(C)C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958196	1	49	0.0	-71.10	378.01	8.39	-62.71
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958197	1	53	0.0	-73.14	425.01	11.00	-62.14
CCC(C)C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958198	1	52	0.0	-71.25	399.69	9.21	-62.04
O=C([O-])C1CCCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958199	1	50	0.0	-80.18	376.67	11.16	-69.02
CCCC(C)(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958200	1	52	0.0	-69.67	392.22	9.10	-60.57
CC(C)N(CC(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958201	1	49	0.0	-57.42	374.64	10.07	-47.35
O=C([O-])CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CC1	REAL300012958202	1	47	0.0	-56.92	368.06	10.34	-46.58
C=CCN(CC(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958203	1	47	0.0	-56.34	377.32	10.35	-45.99
CC(C)CN(CC(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958204	1	52	0.0	-55.92	400.42	10.85	-45.07
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958205	1	54	0.0	-79.87	414.28	13.03	-66.84
CC(C)(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958206	1	46	0.0	-60.08	357.32	7.36	-52.72
CC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)(C(=O)[O-])C1CC1	REAL300012958207	1	50	0.0	-72.90	380.21	9.10	-63.80
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=CS1	REAL300012958208	1	47	0.0	-69.61	394.34	9.14	-60.47
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCCCC1	REAL300012958209	1	53	0.0	-75.23	396.09	10.18	-65.05
CC(C)N(CC(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958210	1	49	0.0	-57.42	374.64	10.07	-47.35
CCCN(CC(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958211	1	49	0.0	-56.48	386.00	10.54	-45.94
CCN(CC(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958212	1	46	0.0	-70.93	364.51	9.79	-61.14
CC[C@H](C)[C@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958213	1	52	0.0	-70.75	397.83	8.94	-61.81
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCCC1	REAL300012958214	1	50	0.0	-73.69	381.01	9.05	-64.64
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958215	1	53	0.0	-54.64	429.92	12.86	-41.78
CCC(C)(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958216	1	49	0.0	-69.35	370.72	8.34	-61.01
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC2=CC=CC=C2C1	REAL300012958217	1	54	0.0	-74.30	420.71	11.23	-63.07
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1=CC(F)=CC=C1F	REAL300012958218	1	50	0.0	-70.74	412.78	10.21	-60.53
CC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300012958219	1	53	0.0	-71.76	410.54	10.83	-60.93
CCN(CC(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958220	1	46	0.0	-70.93	364.51	9.79	-61.14
CCCCCCC(C)(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958221	1	61	0.0	-69.85	456.71	11.43	-58.42
CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012958222	1	56	0.0	-70.36	433.58	12.91	-57.45
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC1	REAL300012958223	1	44	0.0	-75.15	350.92	8.17	-66.98
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=C(Cl)C=C1	REAL300012958224	1	50	0.0	-67.34	418.84	10.60	-56.74
O=C([O-])C1COCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958225	1	48	0.0	-76.80	367.85	8.49	-68.31
CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1(C(=O)[O-])CCCCC1	REAL300012958226	1	56	0.0	-74.72	405.36	11.50	-63.22
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CC1	REAL300012958227	1	47	0.0	-70.43	376.33	8.53	-61.90
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958228	1	56	0.0	-57.49	445.91	13.57	-43.92
CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(C(=O)[O-])C1=CC=CC=C1	REAL300012958229	1	53	0.0	-69.81	413.88	11.93	-57.88
COCCN(CC(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958230	1	50	0.0	-57.26	395.88	8.97	-48.29
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCC2=CC=CC=C21	REAL300012958231	1	54	0.0	-77.68	417.45	11.15	-66.53
O=C([O-])[C@H]1CCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958232	1	47	0.0	-77.80	366.13	9.57	-68.23
O=C([O-])[C@H]1CCCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958233	1	50	0.0	-79.09	376.22	10.91	-68.18
C[C@H](C(=O)[O-])N(C)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958234	1	46	0.0	-67.01	357.60	9.04	-57.97
O=C([O-])[C@@H]1CCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958235	1	47	0.0	-75.51	365.36	9.89	-65.62
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCC1	REAL300012958236	1	47	0.0	-74.39	367.84	8.68	-65.71
C=CCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958237	1	47	0.0	-69.32	379.89	8.43	-60.89
CC1(C(=O)[O-])CCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958238	1	50	0.0	-75.45	382.41	10.45	-65.00
O=C([O-])C1CCCCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958239	1	53	0.0	-78.44	389.51	11.54	-66.90
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CC1	REAL300012958240	1	47	0.0	-70.43	376.33	8.53	-61.90
CC(C(=O)[O-])N(C)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958241	1	46	0.0	-66.99	357.60	9.04	-57.95
CCCCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958242	1	52	0.0	-69.64	409.57	9.53	-60.11
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958243	1	56	0.0	-57.49	445.91	13.57	-43.92
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958244	1	50	0.0	-75.44	382.43	10.42	-65.02
O=C([O-])CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCCC1	REAL300012958245	1	53	0.0	-55.76	400.84	11.36	-44.40
COCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958246	1	47	0.0	-70.68	377.95	6.20	-64.48
CCCCCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958247	1	55	0.0	-68.87	430.24	10.33	-58.54
CCC1CCC(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)(C(=O)[O-])CC1	REAL300012958248	1	59	0.0	-75.01	435.18	11.44	-63.57
O=C([O-])CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCOCC1	REAL300012958249	1	54	0.0	-56.21	409.28	9.69	-46.52
CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1(C(=O)[O-])CCCC1	REAL300012958250	1	53	0.0	-75.71	392.03	10.79	-64.92
CC(C(=O)[O-])N(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CC1	REAL300012958251	1	50	0.0	-59.12	382.94	10.49	-48.63
CCC(C(=O)[O-])N(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CC1	REAL300012958252	1	53	0.0	-59.56	404.45	11.66	-47.90
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=CC=C1Cl	REAL300012958253	1	50	0.0	-73.09	414.62	10.48	-62.61
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=CC=C1F	REAL300012958254	1	50	0.0	-76.06	406.34	10.14	-65.92
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958255	1	54	0.0	-61.79	417.67	12.48	-49.31
O=C([O-])C(CC1CCCCC1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958256	1	59	0.0	-71.79	446.67	11.24	-60.55
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958257	1	56	0.0	-55.90	431.14	12.87	-43.03
CC1=CC=C(C(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(=O)[O-])C=C1	REAL300012958258	1	53	0.0	-71.66	424.12	10.73	-60.93
O=C([O-])C(CC(F)(F)F)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958259	1	46	0.0	-64.57	382.51	8.67	-55.90
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCSCC1	REAL300012958260	1	51	0.0	-71.23	393.81	9.88	-61.35
COCC(C)(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958261	1	50	0.0	-73.74	388.96	7.63	-66.11
CCOCC(C(=O)[O-])N(C)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958262	1	53	0.0	-67.47	408.34	9.47	-58.00
CC(C)CN(CC(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958263	1	52	0.0	-55.92	400.42	10.85	-45.07
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958264	1	59	0.0	-54.23	451.58	14.14	-40.09
O=C([O-])CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CC1	REAL300012958265	1	47	0.0	-56.92	368.06	10.34	-46.58
O=C([O-])CN(CCC(F)(F)F)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958266	1	49	0.0	-56.19	404.14	10.92	-45.27
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCOC1	REAL300012958267	1	48	0.0	-69.32	372.22	6.48	-62.84
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCCCC1	REAL300012958268	1	56	0.0	-73.70	420.32	10.18	-63.52
CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(COC1CCC1)C(=O)[O-]	REAL300012958269	1	57	0.0	-68.61	435.32	10.75	-57.86
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958270	1	57	0.0	-78.44	441.85	13.99	-64.45
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCOCC1	REAL300012958271	1	51	0.0	-74.30	387.54	7.69	-66.61
C=CCCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958272	1	50	0.0	-68.68	400.06	9.32	-59.36
O=C([O-])C(CF)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958273	1	43	0.0	-59.14	348.37	6.97	-52.17
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958274	1	56	0.0	-53.40	432.88	13.82	-39.58
CC(C(=O)[O-])N(C)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958275	1	46	0.0	-66.99	357.60	9.04	-57.95
CCC(CC)(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958276	1	52	0.0	-70.55	387.39	9.24	-61.31
COC1=CC=C(C(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(=O)[O-])C=C1	REAL300012958277	1	54	0.0	-71.24	432.20	9.35	-61.89
CCC(C)N(CC(=O)[O-])C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958278	1	52	0.0	-54.54	397.83	11.24	-43.30
CCC(COC)(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958279	1	53	0.0	-75.01	405.63	8.54	-66.47
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958280	1	56	0.0	-68.00	428.62	10.22	-57.78
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCS(=O)(=O)CC1	REAL300012958281	1	53	0.0	-76.03	412.66	6.18	-69.85
O=C([O-])C(CC1CC1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958282	1	50	0.0	-68.91	397.35	9.55	-59.36
COCCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958283	1	50	0.0	-69.74	400.25	7.05	-62.69
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958284	1	55	0.0	-67.50	415.76	11.55	-55.95
O=C([O-])C(CC(F)F)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958285	1	46	0.0	-65.39	377.20	8.51	-56.88
CCCC1(C(=O)[O-])CCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958286	1	56	0.0	-79.96	417.18	12.40	-67.56
CCCN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(C)C(=O)[O-]	REAL300012958287	1	52	0.0	-67.90	396.25	10.63	-57.27
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958288	1	56	0.0	-54.80	434.21	13.90	-40.90
CCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300012958289	1	56	0.0	-74.22	427.51	11.73	-62.49
COC1CCCC(C(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(=O)[O-])C1	REAL300012958290	1	60	0.0	-77.42	452.77	9.18	-68.24
O=C([O-])C(CCF)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958291	1	46	0.0	-68.36	373.17	8.12	-60.24
COC1(CC(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(=O)[O-])CCC1	REAL300012958292	1	57	0.0	-70.97	436.32	9.41	-61.56
O=C([O-])CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCOCC1	REAL300012958293	1	54	0.0	-56.21	409.28	9.69	-46.52
O=C([O-])CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCCCC1	REAL300012958294	1	56	0.0	-59.16	418.25	12.08	-47.08
C[C@H]1CC[C@@](NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)(C(=O)[O-])CC1	REAL300012958295	1	56	0.0	-75.37	409.95	10.57	-64.80
COC1=CC=CC(C(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(=O)[O-])=C1	REAL300012958296	1	54	0.0	-73.31	431.61	9.37	-63.94
CC(CCF)(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958297	1	49	0.0	-66.46	377.31	8.49	-57.97
O=C([O-])C1C2=C(CCN1C(=O)NCCCN1C=[NH+]C3=C1CCCC3)OC=C2	REAL300012958298	1	51	0.0	-61.42	399.51	10.54	-50.88
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958299	1	47	0.0	-71.00	379.10	9.76	-61.24
COC1=CC=CC([C@H](NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(=O)[O-])=C1	REAL300012958300	1	54	0.0	-73.31	431.64	9.37	-63.94
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958301	1	46	0.0	-66.10	356.70	9.04	-57.06
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1	REAL300012958302	1	56	0.0	-78.34	431.39	11.76	-66.58
CC1(C)CCCC(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)(C(=O)[O-])C1	REAL300012958303	1	59	0.0	-76.36	424.04	11.05	-65.31
O=C([O-])C12CC(C1)CN2C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958304	1	48	0.0	-81.77	372.59	10.52	-71.25
COC1CN(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(C)(C(=O)[O-])C1	REAL300012958305	1	54	0.0	-74.13	415.25	9.47	-64.66
O=C([O-])C(CC1CCCOC1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958306	1	57	0.0	-69.28	433.76	9.49	-59.79
CC(C)(C)[C@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958307	1	52	0.0	-70.16	396.71	9.17	-60.99
C=C(Cl)CC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958308	1	47	0.0	-69.63	395.01	9.05	-60.58
C=C(C)CC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958309	1	50	0.0	-69.06	399.60	9.19	-59.87
O=C([O-])C12CCC(CC1)N2C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958310	1	51	0.0	-83.77	387.13	11.34	-72.43
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958311	1	47	0.0	-69.69	379.15	9.74	-59.95
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958312	1	47	0.0	-73.62	372.66	9.67	-63.95
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1	REAL300012958313	1	48	0.0	-75.80	379.58	9.94	-65.86
O=C([O-])C(CC1CCOCC1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958314	1	57	0.0	-71.23	433.59	9.52	-61.71
CC(C)C[C@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958315	1	52	0.0	-69.60	405.04	9.38	-60.22
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCOCC1	REAL300012958316	1	54	0.0	-75.15	411.07	7.77	-67.38
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=CC=C1	REAL300012958317	1	50	0.0	-70.87	402.10	10.08	-60.79
O=C([O-])C(CC1CC1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958318	1	50	0.0	-68.91	397.35	9.55	-59.36
O=C([O-])C(CC1=CN=CS1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958319	1	49	0.0	-68.10	410.71	8.17	-59.93
CC(C)CCCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958320	1	58	0.0	-69.61	448.64	10.83	-58.78
O=C([O-])C(CC1CCCO1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958321	1	54	0.0	-75.86	422.77	8.37	-67.49
CSCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958322	1	47	0.0	-67.55	390.05	8.40	-59.15
COC[C@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958323	1	47	0.0	-71.28	378.46	6.22	-65.06
CC[C@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958324	1	46	0.0	-69.76	366.58	7.99	-61.77
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958325	1	53	0.0	-70.72	431.42	11.07	-59.65
CCC(C)CC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958326	1	55	0.0	-69.30	422.68	9.95	-59.35
C=CCCCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958327	1	53	0.0	-68.54	421.55	10.11	-58.43
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958328	1	53	0.0	-69.31	431.36	11.07	-58.24
O=C([O-])C1CSCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958329	1	48	0.0	-77.57	376.50	11.02	-66.55
CC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300012958330	1	53	0.0	-71.76	410.54	10.83	-60.93
O=C([O-])[C@H]1CCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958331	1	47	0.0	-77.80	366.13	9.57	-68.23
CCCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958332	1	49	0.0	-69.01	387.25	8.76	-60.25
CC(C)[C@@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958333	1	49	0.0	-70.74	381.72	8.59	-62.15
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958334	1	51	0.0	-82.20	386.68	11.45	-70.75
CCN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(C)(C)C(=O)[O-]	REAL300012958335	1	52	0.0	-74.41	391.30	10.75	-63.66
CCCN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(C)C(=O)[O-]	REAL300012958336	1	52	0.0	-67.90	396.25	10.63	-57.27
O=C([O-])CN(CC(F)(F)F)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958337	1	46	0.0	-66.23	379.13	10.30	-55.93
O=C([O-])CN(CC(F)(F)F)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958338	1	46	0.0	-66.23	379.13	10.30	-55.93
CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(C)(C)C(=O)[O-]	REAL300012958339	1	49	0.0	-74.42	371.81	9.86	-64.56
O=C([O-])[C@@H]1CCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958340	1	47	0.0	-75.51	365.36	9.89	-65.62
O=C([O-])CN(CCN1CCOCC1)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958341	1	59	0.0	-57.27	452.86	8.27	-49.00
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958342	1	48	0.0	-79.69	377.37	6.20	-73.49
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958343	1	54	0.0	-57.13	418.77	12.97	-44.16
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)[C@H]1C(=O)[O-]	REAL300012958344	1	57	0.0	-61.60	429.23	13.04	-48.56
CCC[C@@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958345	1	49	0.0	-71.36	388.09	8.75	-62.61
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958346	1	55	0.0	-69.52	422.43	11.18	-58.34
O=C([O-])[C@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=CC=C1	REAL300012958347	1	50	0.0	-73.00	402.76	10.06	-62.94
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958348	1	55	0.0	-72.87	442.62	10.06	-62.81
C=CCCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958349	1	50	0.0	-68.68	400.06	9.32	-59.36
O=C([O-])C(CC1=NC=CS1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958350	1	49	0.0	-74.41	411.53	8.00	-66.41
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958351	1	50	0.0	-85.59	395.86	7.45	-78.14
CN1CC(C(=O)[O-])N(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC1=O	REAL300012958352	1	51	0.0	-71.36	393.61	9.14	-62.22
C[C@]1(C(=O)[O-])CCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958353	1	50	0.0	-77.33	382.46	10.44	-66.89
CC(C)[C@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958354	1	49	0.0	-68.38	380.76	8.52	-59.86
O=C([O-])[C@@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=CC=C1	REAL300012958355	1	50	0.0	-70.86	402.10	10.08	-60.78
CC(CN1C=CC=N1)(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958356	1	53	0.0	-70.58	416.56	9.41	-61.17
C[C@@H](C(=O)[O-])N(C)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958357	1	46	0.0	-66.10	356.70	9.04	-57.06
CCC[C@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958358	1	49	0.0	-69.01	387.25	8.76	-60.25
CCN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(C)C(=O)[O-]	REAL300012958359	1	49	0.0	-67.42	373.78	9.71	-57.71
O=C([O-])CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCCC1	REAL300012958360	1	53	0.0	-55.76	400.84	11.36	-44.40
CC(CN(C)C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958361	1	49	0.0	-70.70	376.93	9.45	-61.25
CC[C@H](C)[C@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958362	1	52	0.0	-70.75	397.83	8.94	-61.81
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958363	1	49	0.0	-66.99	377.00	9.97	-57.02
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC(CO)C1	REAL300012958364	1	51	0.0	-79.07	398.27	5.88	-73.19
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958365	1	59	0.0	-72.26	450.58	9.24	-63.02
CC1CCC(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)(C(=O)[O-])C1	REAL300012958366	1	53	0.0	-75.35	402.67	9.72	-65.63
CC1(C)CCCC1(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958367	1	56	0.0	-76.19	410.53	10.33	-65.86
COCCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958368	1	50	0.0	-69.74	400.25	7.05	-62.69
CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012958369	1	56	0.0	-70.36	433.58	12.91	-57.45
CC1(C)CC(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)(C(=O)[O-])C1	REAL300012958370	1	53	0.0	-75.04	403.93	10.39	-64.65
CC1(C(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(=O)[O-])CC1	REAL300012958371	1	50	0.0	-73.12	388.03	9.32	-63.80
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958372	1	59	0.0	-73.13	450.44	9.27	-63.86
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958373	1	48	0.0	-83.49	376.05	6.37	-77.12
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCOC1	REAL300012958374	1	51	0.0	-66.85	396.67	7.00	-59.85
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958375	1	51	0.0	-79.84	387.13	11.03	-68.81
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1=CNC2=CC=CC=C12	REAL300012958376	1	54	0.0	-80.70	434.67	10.13	-70.57
O=C([O-])C12COC(CN1C(=O)NCCCN1C=[NH+]C3=C1CCCC3)C2	REAL300012958377	1	49	0.0	-77.86	379.97	8.71	-69.15
CC1CCC(C(=O)[O-])N(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1	REAL300012958378	1	53	0.0	-79.61	397.53	11.74	-67.87
CC(C1=CC=CC=C1)C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958379	1	56	0.0	-71.52	440.18	11.40	-60.12
O=C([O-])C(CC1CC=CCC1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958380	1	57	0.0	-71.46	434.80	11.79	-59.67
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCC1	REAL300012958381	1	50	0.0	-72.50	386.71	8.86	-63.64
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCCCC1	REAL300012958382	1	56	0.0	-73.70	420.32	10.18	-63.52
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCC1	REAL300012958383	1	50	0.0	-72.50	386.71	8.86	-63.64
CC1CCN(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1C(=O)[O-]	REAL300012958384	1	50	0.0	-78.33	381.53	10.05	-68.28
C=CCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958385	1	47	0.0	-69.32	379.89	8.43	-60.89
O=C([O-])C(CC1CCCCO1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958386	1	57	0.0	-72.73	439.95	9.16	-63.57
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958387	1	57	0.0	-55.53	412.43	11.72	-43.81
CC1(C)CC(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)(C(=O)[O-])CCO1	REAL300012958388	1	57	0.0	-75.23	416.64	9.00	-66.23
CC1=CC=CC2=C1CCN(C(=O)NCCCN1C=[NH+]C3=C1CCCC3)C2C(=O)[O-]	REAL300012958389	1	57	0.0	-61.66	435.10	13.02	-48.64
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958390	1	51	0.0	-57.55	388.13	10.92	-46.63
O=C([O-])C(CC1CC=CCC1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958391	1	57	0.0	-71.46	434.80	11.79	-59.67
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958392	1	53	0.0	-73.96	431.18	11.12	-62.84
COC1CC(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)(C(=O)[O-])C1	REAL300012958393	1	51	0.0	-70.50	399.33	7.56	-62.94
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC(F)(F)C1	REAL300012958394	1	47	0.0	-73.89	376.14	8.72	-65.17
CO[C@H]1C[C@](NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)(C(=O)[O-])C1	REAL300012958395	1	51	0.0	-72.24	399.67	7.95	-64.29
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1(C(F)(F)F)CC1	REAL300012958396	1	50	0.0	-73.09	404.56	9.75	-63.34
CCC1(C(=O)[O-])CCCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958397	1	53	0.0	-77.88	395.64	11.66	-66.22
O=C([O-])C(CC(F)(F)F)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958398	1	46	0.0	-64.57	382.51	8.67	-55.90
O=C([O-])C(CC1CCOC1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958399	1	54	0.0	-67.30	415.77	7.72	-59.58
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)COC1	REAL300012958400	1	45	0.0	-69.61	358.55	5.73	-63.88
O=C([O-])C(CC1=CC=CS1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958401	1	50	0.0	-70.28	416.04	10.07	-60.21
CC(C)C(C)(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958402	1	52	0.0	-70.00	385.64	8.97	-61.03
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958403	1	48	0.0	-80.01	371.42	11.01	-69.00
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958404	1	51	0.0	-79.32	388.59	10.65	-68.67
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958405	1	56	0.0	-54.80	434.21	13.90	-40.90
O=C([O-])C(CC1CCCCC1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958406	1	59	0.0	-71.79	446.67	11.24	-60.55
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958407	1	56	0.0	-70.72	447.98	11.77	-58.95
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958408	1	56	0.0	-72.02	447.74	11.83	-60.19
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CC2CCC1C2	REAL300012958409	1	57	0.0	-72.80	427.02	10.64	-62.16
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958410	1	59	0.0	-72.19	446.93	11.19	-61.00
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958411	1	59	0.0	-69.90	446.68	11.24	-58.66
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958412	1	57	0.0	-53.65	428.00	11.81	-41.84
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958413	1	57	0.0	-79.52	424.83	11.77	-67.75
C=CCSCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958414	1	51	0.0	-66.88	423.65	9.88	-57.00
N#CC1=CC=C(CC(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(=O)[O-])C=C1	REAL300012958415	1	54	0.0	-70.47	445.77	11.39	-59.08
CCC(C(=O)[O-])N(CC)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958416	1	52	0.0	-73.58	393.31	11.43	-62.15
COC1(C(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(=O)[O-])CCC1	REAL300012958417	1	54	0.0	-66.98	414.20	7.65	-59.33
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCC(C(F)F)CC1	REAL300012958418	1	56	0.0	-75.81	428.52	11.02	-64.79
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCC2=CC=CC=C2C1	REAL300012958419	1	57	0.0	-74.15	434.04	12.11	-62.04
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC(C(F)F)C1	REAL300012958420	1	50	0.0	-76.96	399.55	9.52	-67.44
CC(C)C1=CC=C(C(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C(=O)[O-])C=C1	REAL300012958422	1	59	0.0	-72.59	462.99	11.99	-60.60
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958423	1	47	0.0	-73.62	372.66	9.67	-63.95
O=C([O-])C1C2C=CC(C2)N1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958424	1	49	0.0	-53.89	381.44	10.71	-43.18
CC1(C)CCN(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1C(=O)[O-]	REAL300012958425	1	53	0.0	-79.33	401.47	10.54	-68.79
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958426	1	57	0.0	-79.84	422.01	12.74	-67.10
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCC2=CC=CC=C21	REAL300012958427	1	57	0.0	-71.30	444.23	12.50	-58.80
CC(C)CCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958428	1	55	0.0	-69.07	426.31	10.06	-59.01
O=C([O-])C1CC2(CCC2)CN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958429	1	54	0.0	-57.07	412.24	11.38	-45.69
O=C([O-])C(CC1CCOC1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958430	1	54	0.0	-67.30	415.77	7.72	-59.58
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1	REAL300012958431	1	51	0.0	-73.70	408.61	11.07	-62.63
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCCC2CC21	REAL300012958432	1	54	0.0	-75.33	401.94	10.83	-64.50
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCC2CC21	REAL300012958433	1	51	0.0	-74.93	389.07	9.92	-65.01
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC2(CCC2)C1	REAL300012958434	1	54	0.0	-74.92	410.34	10.31	-64.61
CN(C(=O)NCCCN1C=[NH+]C2=C1CCCC2)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012958435	1	56	0.0	-70.36	433.58	12.91	-57.45
O=C([O-])C1CC2(CN1C(=O)NCCCN1C=[NH+]C3=C1CCCC3)CCCCC2	REAL300012958436	1	60	0.0	-56.89	441.28	12.36	-44.53
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCCC1	REAL300012958437	1	53	0.0	-72.24	402.74	9.56	-62.68
CO[C@H](C)[C@H](NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958438	1	50	0.0	-71.03	396.59	7.22	-63.81
CC1[C@@H](C)[C@@]1(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958439	1	50	0.0	-77.66	389.60	9.72	-67.94
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958440	1	53	0.0	-56.85	423.50	12.79	-44.06
CC1(C)CC(C(=O)[O-])N(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1	REAL300012958441	1	53	0.0	-57.09	405.21	10.69	-46.40
O=C([O-])C1CC(F)(F)CCN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958442	1	50	0.0	-76.63	387.53	10.99	-65.64
O=C([O-])C1N(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCC1(F)F	REAL300012958443	1	47	0.0	-78.67	377.01	10.03	-68.64
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958444	1	53	0.0	-73.96	431.18	11.12	-62.84
O=C([O-])C(CC1=CSC=C1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958445	1	50	0.0	-71.09	415.62	9.99	-61.10
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958446	1	50	0.0	-68.63	394.52	10.56	-58.07
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC2(CC(F)(F)C2)C1	REAL300012958447	1	54	0.0	-75.53	429.77	10.72	-64.81
O=C([O-])C(CC1=CSC=C1)NC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958448	1	50	0.0	-71.09	415.62	9.99	-61.10
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958449	1	54	0.0	-80.06	404.28	11.25	-68.81
COCCCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958450	1	53	0.0	-68.67	420.92	7.83	-60.84
CCCC(C(=O)[O-])N(C)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958451	1	52	0.0	-66.71	398.46	10.90	-55.81
CCOCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958452	1	50	0.0	-71.11	399.80	7.18	-63.93
CC(C)(C)CC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958453	1	55	0.0	-72.07	417.41	10.37	-61.70
O=C([O-])C(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C1CCCCO1	REAL300012958454	1	54	0.0	-72.67	417.82	8.54	-64.13
O=C([O-])C1(NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CC2=CC=CC=C2C1	REAL300012958455	1	54	0.0	-74.30	420.71	11.23	-63.07
C[C@H]1OCCN(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)[C@@H]1C(=O)[O-]	REAL300012958456	1	51	0.0	-77.95	388.36	9.45	-68.50
N#CCCC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300012958457	1	47	0.0	-70.13	386.60	8.49	-61.64
O=C([O-])CN(CC1=CC=CO1)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958458	1	50	0.0	-57.78	405.17	10.93	-46.85
C[C@H](C(=O)[O-])N(C)C(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300012958459	1	46	0.0	-67.01	357.60	9.04	-57.97
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1	REAL300012958460	1	54	0.0	-76.19	420.49	9.85	-66.34
COC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CC(F)(F)C1	REAL300012959167	0	57	0.0	-60.58	435.61	6.46	-54.12
CC1=NN=C([C@H]2C[C@@H](NC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])C2)O1	REAL300012959458	0	55	0.0	-70.78	429.64	2.30	-68.48
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CN=CC(C(C)(C)C)=C2)CC1	REAL300012959995	0	61	0.0	-62.34	462.58	7.92	-54.42
CN(CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])S(C)(=O)=O	REAL300012960586	0	54	0.0	-65.83	421.92	2.16	-63.67
CC(C)C[C@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012960995	0	54	0.0	-72.17	396.37	8.33	-63.84
CC(C)C[C@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012960995	1	54	0.0	-72.31	391.79	8.82	-63.49
C=CCOCC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012960996	0	53	0.0	-71.66	404.44	6.75	-64.91
C=CCOCC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012960996	1	53	0.0	-72.73	400.40	7.29	-65.44
C=CC(C)C(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012960997	0	52	0.0	-71.65	389.49	8.07	-63.58
C=CC(C)C(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012960997	1	52	0.0	-71.85	385.44	8.59	-63.26
O=C([O-])C(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCOCC1	REAL300012960998	0	56	0.0	-71.65	405.04	6.93	-64.72
O=C([O-])C(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1CCOCC1	REAL300012960998	1	56	0.0	-74.13	397.81	7.31	-66.82
O=C([O-])C(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC=C(F)C(F)=C1	REAL300012960999	0	52	0.0	-67.25	406.19	9.14	-58.11
O=C([O-])C(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1=CC=C(F)C(F)=C1	REAL300012960999	1	52	0.0	-67.39	402.56	9.72	-57.67
O=C([O-])C(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC=C(Cl)C(F)=C1	REAL300012961000	0	52	0.0	-67.13	416.08	9.59	-57.54
O=C([O-])C(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1=CC=C(Cl)C(F)=C1	REAL300012961000	1	52	0.0	-67.65	412.69	10.09	-57.56
COC1CCN(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C(C(=O)[O-])C1	REAL300012961001	0	56	0.0	-81.70	400.18	9.24	-72.46
COC1CCN(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C(C(=O)[O-])C1	REAL300012961001	1	56	0.0	-83.01	395.42	9.45	-73.56
O=C([O-])C(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCCOC1	REAL300012961002	0	56	0.0	-68.25	401.84	6.81	-61.44
O=C([O-])C(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1CCCOC1	REAL300012961002	1	56	0.0	-69.78	401.93	7.55	-62.23
CC1CCN(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C(C(=O)[O-])C1	REAL300012961003	0	55	0.0	-78.90	389.84	10.42	-68.48
CC1CCN(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C(C(=O)[O-])C1	REAL300012961003	1	55	0.0	-81.61	385.64	10.93	-70.68
CC1=CC(C(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])=CC=C1F	REAL300012961004	0	55	0.0	-68.24	420.85	9.68	-58.56
CC1=CC(C(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])=CC=C1F	REAL300012961004	1	55	0.0	-70.01	416.55	10.30	-59.71
O=C([O-])C(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC=C2OCCC2=C1	REAL300012961005	0	57	0.0	-70.97	430.05	8.83	-62.14
O=C([O-])C(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1=CC=C2OCCC2=C1	REAL300012961005	1	57	0.0	-72.42	426.64	9.39	-63.03
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CCCN(C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(COC)C(=O)[O-]	REAL300012961012	0	58	0.0	-72.70	419.27	10.43	-62.27
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O=C([O-])C1CCCCN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961029	1	52	0.0	-81.52	364.74	10.31	-71.21
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CC(C)CN(CC(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961034	0	54	0.0	-57.14	391.79	9.80	-47.34
CC(C)CN(CC(=O)[O-])C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961034	1	54	0.0	-54.91	388.00	10.54	-44.37
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CC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)(C(=O)[O-])C1CC1	REAL300012961036	0	52	0.0	-72.53	371.55	8.04	-64.49
CC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)(C(=O)[O-])C1CC1	REAL300012961036	1	52	0.0	-72.58	367.56	8.57	-64.01
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O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961039	1	55	0.0	-52.49	427.60	12.79	-39.70
CC(C)N(CC(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961040	0	51	0.0	-58.82	366.07	9.01	-49.81
CC(C)N(CC(=O)[O-])C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961040	1	51	0.0	-55.24	363.70	9.64	-45.60
CCCN(CC(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961041	0	51	0.0	-57.78	377.38	9.49	-48.29
CCCN(CC(=O)[O-])C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961041	1	51	0.0	-55.11	373.35	10.03	-45.08
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961042	0	59	0.0	-74.44	445.42	10.00	-64.44
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961042	1	59	0.0	-74.79	442.62	10.53	-64.26
CC[C@H](C)[C@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961043	0	54	0.0	-73.21	389.19	7.87	-65.34
CC[C@H](C)[C@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961043	1	54	0.0	-73.51	385.16	8.41	-65.10
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CCCC1	REAL300012961044	0	52	0.0	-73.06	374.27	8.05	-65.01
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CCCC1	REAL300012961044	1	52	0.0	-75.14	368.94	8.55	-66.59
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961045	0	55	0.0	-55.69	421.29	11.81	-43.88
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961045	1	55	0.0	-52.74	417.28	12.34	-40.40
CCC(C)(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961046	0	51	0.0	-68.95	362.09	7.28	-61.67
CCC(C)(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961046	1	51	0.0	-70.68	358.06	7.82	-62.86
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC2=CC=CC=C2C1	REAL300012961047	0	56	0.0	-73.06	414.79	10.29	-62.77
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CC2=CC=CC=C2C1	REAL300012961047	1	56	0.0	-76.50	409.54	10.82	-65.68
O=C([O-])C(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC(F)=CC=C1F	REAL300012961048	0	52	0.0	-73.73	404.91	9.14	-64.59
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CC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012961049	0	55	0.0	-73.46	401.91	9.77	-63.69
CC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012961049	1	55	0.0	-72.75	397.89	10.30	-62.45
CCCCCCC(C)(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961050	0	63	0.0	-69.29	448.09	10.37	-58.92
CCCCCCC(C)(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961050	1	63	0.0	-72.62	444.05	10.91	-61.71
CN(C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012961051	0	58	0.0	-70.08	426.97	11.99	-58.09
CN(C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012961051	1	58	0.0	-71.22	422.65	12.48	-58.74
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CN(C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1(C(=O)[O-])CCCCC1	REAL300012961054	0	58	0.0	-77.70	396.73	10.44	-67.26
CN(C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1(C(=O)[O-])CCCCC1	REAL300012961054	1	58	0.0	-77.43	393.93	10.96	-66.47
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CCC(COC)(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961107	0	55	0.0	-77.44	397.01	7.47	-69.97
CCC(COC)(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961107	1	55	0.0	-78.33	392.96	8.01	-70.32
CC(C)OCC(C(=O)[O-])N(C)C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961108	0	58	0.0	-69.60	420.61	8.99	-60.61
CC(C)OCC(C(=O)[O-])N(C)C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961108	1	58	0.0	-69.51	417.19	9.61	-59.90
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CCS(=O)(=O)CC1	REAL300012961109	0	55	0.0	-74.65	404.02	5.14	-69.51
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CCS(=O)(=O)CC1	REAL300012961109	1	55	0.0	-76.91	401.35	5.67	-71.24
O=C([O-])C(CC1CC1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961110	0	52	0.0	-72.13	389.57	8.46	-63.67
O=C([O-])C(CC1CC1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961110	1	52	0.0	-71.76	384.70	9.02	-62.74
COCCC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961111	0	52	0.0	-72.01	390.79	6.00	-66.01
COCCC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961111	1	52	0.0	-71.55	387.58	6.52	-65.03
CC(C)CC(C(=O)[O-])N(C)C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961112	0	57	0.0	-69.83	407.60	10.27	-59.56
CC(C)CC(C(=O)[O-])N(C)C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961112	1	57	0.0	-69.15	404.66	11.01	-58.14
O=C([O-])C(CC(F)F)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961113	0	48	0.0	-71.95	370.30	7.20	-64.75
O=C([O-])C(CC(F)F)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961113	1	48	0.0	-67.46	364.52	7.98	-59.48
CCCC1(C(=O)[O-])CCCN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961114	0	58	0.0	-79.03	410.38	11.03	-68.00
CCCC1(C(=O)[O-])CCCN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961114	1	58	0.0	-80.34	407.13	11.81	-68.53
CCCN(C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(C)C(=O)[O-]	REAL300012961115	0	54	0.0	-66.90	388.47	9.44	-57.46
CCCN(C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(C)C(=O)[O-]	REAL300012961115	1	54	0.0	-43.58	380.15	10.83	-32.75
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961116	0	58	0.0	-46.90	425.64	12.81	-34.09
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961116	1	58	0.0	-45.43	417.45	13.01	-32.42
CCC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012961117	0	58	0.0	-74.30	418.82	10.63	-63.67
CCC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012961117	1	58	0.0	-75.08	414.80	11.16	-63.92
COC1CCCC(C(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])C1	REAL300012961118	0	62	0.0	-70.71	441.09	8.25	-62.46
COC1CCCC(C(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])C1	REAL300012961118	1	62	0.0	-77.73	440.00	8.71	-69.02
O=C([O-])C(CCF)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961119	0	48	0.0	-71.28	364.55	7.05	-64.23
O=C([O-])C(CCF)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961119	1	48	0.0	-71.17	360.26	7.65	-63.52
COC1(CC(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])CCC1	REAL300012961120	0	59	0.0	-68.82	424.57	8.47	-60.35
COC1(CC(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])CCC1	REAL300012961120	1	59	0.0	-74.30	425.22	8.61	-65.69
O=C([O-])CN(C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCOCC1	REAL300012961121	0	56	0.0	-57.40	400.66	8.63	-48.77
O=C([O-])CN(C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1CCOCC1	REAL300012961121	1	56	0.0	-54.49	396.69	9.16	-45.33
O=C([O-])CN(C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCCCC1	REAL300012961122	0	58	0.0	-57.29	409.62	11.00	-46.29
O=C([O-])CN(C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1CCCCC1	REAL300012961122	1	58	0.0	-54.09	405.59	11.55	-42.54
C[C@H]1CC[C@@](NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)(C(=O)[O-])CC1	REAL300012961123	0	58	0.0	-73.05	402.64	9.50	-63.55
C[C@H]1CC[C@@](NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)(C(=O)[O-])CC1	REAL300012961123	1	58	0.0	-75.42	397.22	10.04	-65.38
COC1=CC=CC(C(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])=C1	REAL300012961124	0	56	0.0	-73.77	423.64	8.27	-65.50
COC1=CC=CC(C(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])=C1	REAL300012961124	1	56	0.0	-74.37	419.36	8.89	-65.48
CC(CCF)(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961125	0	51	0.0	-66.19	368.68	7.42	-58.77
CC(CCF)(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961125	1	51	0.0	-67.88	364.65	7.96	-59.92
O=C([O-])C1C2=C(CCN1C(=O)N[C@H]1CCC[N@@H+](C3CCCC3)C1)OC=C2	REAL300012961126	0	53	0.0	-60.30	390.98	9.46	-50.84
O=C([O-])C1C2=C(CCN1C(=O)N[C@H]1CCC[N@H+](C3CCCC3)C1)OC=C2	REAL300012961126	1	53	0.0	-57.75	387.63	10.12	-47.63
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961127	0	49	0.0	-71.19	371.91	8.57	-62.62
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961127	1	49	0.0	-73.11	367.87	9.11	-64.00
COC1=CC=CC([C@H](NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])=C1	REAL300012961128	0	56	0.0	-75.55	423.62	8.28	-67.27
COC1=CC=CC([C@H](NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])=C1	REAL300012961128	1	56	0.0	-75.91	419.57	8.81	-67.10
COC(=O)C1CCC(C(=O)[O-])N(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1	REAL300012961129	0	58	0.0	-72.59	423.87	9.77	-62.82
COC(=O)C1CCC(C(=O)[O-])N(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C1	REAL300012961129	1	58	0.0	-81.72	418.91	11.20	-70.52
COC1=CC=CC(CC(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])=C1	REAL300012961130	0	59	0.0	-69.87	445.64	9.29	-60.58
COC1=CC=CC(CC(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])=C1	REAL300012961130	1	59	0.0	-77.89	441.81	9.76	-68.13
CC1(C)CCCC(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)(C(=O)[O-])C1	REAL300012961131	0	61	0.0	-77.10	415.40	9.99	-67.11
CC1(C)CCCC(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)(C(=O)[O-])C1	REAL300012961131	1	61	0.0	-76.78	411.37	10.55	-66.23
O=C([O-])C12CC(C1)CN2C(=O)NC1CCC[N@@H+](C2CCCC2)C1	REAL300012961132	0	50	0.0	-82.57	364.01	9.45	-73.12
O=C([O-])C12CC(C1)CN2C(=O)NC1CCC[N@H+](C2CCCC2)C1	REAL300012961132	1	50	0.0	-79.90	361.81	9.46	-70.44
COC1CN(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C(C)(C(=O)[O-])C1	REAL300012961133	0	56	0.0	-78.57	408.46	8.32	-70.25
COC1CN(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C(C)(C(=O)[O-])C1	REAL300012961133	1	56	0.0	-77.59	401.58	8.94	-68.65
O=C([O-])C(CC1CCCOC1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961134	0	59	0.0	-69.36	429.12	7.81	-61.55
O=C([O-])C(CC1CCCOC1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961134	1	59	0.0	-71.62	424.47	8.30	-63.32
CC(C)(C)[C@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961135	0	54	0.0	-73.50	388.73	8.03	-65.47
CC(C)(C)[C@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961135	1	54	0.0	-73.87	384.71	8.56	-65.31
C=C(Cl)CC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961136	0	49	0.0	-66.09	386.42	8.03	-58.06
C=C(Cl)CC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961136	1	49	0.0	-66.94	382.39	8.57	-58.37
C=C(C)CC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961137	0	52	0.0	-72.34	391.86	8.11	-64.23
C=C(C)CC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961137	1	52	0.0	-72.29	387.05	8.75	-63.54
O=C([O-])C12CCC(CC1)N2C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961138	0	53	0.0	-82.59	376.52	10.26	-72.33
O=C([O-])C12CCC(CC1)N2C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961138	1	53	0.0	-87.67	374.71	10.81	-76.86
CC(CC1=CC=C(F)C=C1)(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961139	0	58	0.0	-69.11	425.91	10.18	-58.93
CC(CC1=CC=C(F)C=C1)(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961139	1	58	0.0	-70.98	421.88	10.72	-60.26
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961140	0	49	0.0	-72.32	370.59	8.59	-63.73
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961140	1	49	0.0	-73.53	366.60	9.13	-64.40
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961141	0	49	0.0	-76.74	364.09	8.51	-68.23
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961141	1	49	0.0	-77.84	360.04	9.05	-68.79
C=C1C[C@@H](C(=O)[O-])N(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1	REAL300012961142	0	50	0.0	-78.50	370.92	8.89	-69.61
C=C1C[C@@H](C(=O)[O-])N(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C1	REAL300012961142	1	50	0.0	-79.87	366.88	9.44	-70.43
O=C([O-])C(CC1CCOCC1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961143	0	59	0.0	-72.77	425.19	8.39	-64.38
O=C([O-])C(CC1CCOCC1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961143	1	59	0.0	-71.98	421.15	8.94	-63.04
CC(C)C[C@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961144	0	54	0.0	-72.17	396.37	8.33	-63.84
CC(C)C[C@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961144	1	54	0.0	-72.31	391.79	8.82	-63.49
O=C([O-])C(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCOCC1	REAL300012961145	0	56	0.0	-71.65	405.04	6.93	-64.72
O=C([O-])C(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1CCOCC1	REAL300012961145	1	56	0.0	-74.13	397.81	7.31	-66.82
O=C([O-])C(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300012961146	0	52	0.0	-70.88	393.89	9.07	-61.81
O=C([O-])C(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300012961146	1	52	0.0	-73.53	390.04	9.51	-64.02
O=C([O-])C(CC1CC1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961147	0	52	0.0	-72.13	389.57	8.46	-63.67
O=C([O-])C(CC1CC1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961147	1	52	0.0	-71.76	384.70	9.02	-62.74
O=C([O-])C(CC1=CN=CS1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961148	0	51	0.0	-70.68	402.93	7.08	-63.60
O=C([O-])C(CC1=CN=CS1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961148	1	51	0.0	-70.95	398.92	7.62	-63.33
CC(C)CCCC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961149	0	60	0.0	-69.94	440.02	9.75	-60.19
CC(C)CCCC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961149	1	60	0.0	-71.91	435.15	10.31	-61.60
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961150	0	58	0.0	-69.06	446.01	10.39	-58.67
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961150	1	58	0.0	-76.70	441.80	10.92	-65.78
O=C([O-])C(CC1CCCO1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961151	0	56	0.0	-69.94	412.11	7.78	-62.16
O=C([O-])C(CC1CCCO1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961151	1	56	0.0	-76.55	409.77	7.86	-68.69
CSCC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961152	0	49	0.0	-69.38	381.43	7.34	-62.04
CSCC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961152	1	49	0.0	-68.08	377.38	7.87	-60.21
COC[C@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961153	0	49	0.0	-73.43	369.67	5.20	-68.23
COC[C@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961153	1	49	0.0	-73.76	365.78	5.69	-68.07
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961154	0	55	0.0	-69.11	422.55	10.06	-59.05
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961154	1	55	0.0	-71.10	418.54	10.59	-60.51
CCC(C)CC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961155	0	57	0.0	-72.25	414.13	8.94	-63.31
CCC(C)CC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961155	1	57	0.0	-72.24	410.02	9.43	-62.81
C=CCCCC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961156	0	55	0.0	-71.77	413.77	9.03	-62.74
C=CCCCC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961156	1	55	0.0	-71.41	409.72	9.55	-61.86
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961157	0	55	0.0	-71.76	422.73	10.00	-61.76
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961157	1	55	0.0	-71.90	419.10	10.53	-61.37
O=C([O-])C(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC2=CC=CC=C21	REAL300012961158	0	58	0.0	-77.03	434.98	11.14	-65.89
O=C([O-])C(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1=CC=CC2=CC=CC=C21	REAL300012961158	1	58	0.0	-77.30	432.23	11.67	-65.63
O=C([O-])C1CSCCN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961159	0	50	0.0	-78.62	368.18	10.00	-68.62
O=C([O-])C1CSCCN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961159	1	50	0.0	-81.35	364.22	10.55	-70.80
CC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012961160	0	55	0.0	-73.46	401.91	9.77	-63.69
CC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012961160	1	55	0.0	-72.75	397.89	10.30	-62.45
O=C([O-])[C@H]1CCCN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961161	0	49	0.0	-77.29	358.88	8.42	-68.87
O=C([O-])[C@H]1CCCN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961161	1	49	0.0	-79.56	354.90	8.96	-70.60
CCCC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961162	0	51	0.0	-70.11	379.45	7.68	-62.43
CCCC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961162	1	51	0.0	-72.61	375.40	8.21	-64.40
CC(C)[C@@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961163	0	51	0.0	-69.15	373.07	7.52	-61.63
CC(C)[C@@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961163	1	51	0.0	-70.81	365.35	7.86	-62.95
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961164	0	53	0.0	-83.54	378.43	10.38	-73.16
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961164	1	53	0.0	-86.10	374.30	10.90	-75.20
CCN(C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012961165	0	54	0.0	-72.15	384.05	9.71	-62.44
CCN(C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012961165	1	54	0.0	-74.65	378.60	10.22	-64.43
CCCN(C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(C)C(=O)[O-]	REAL300012961166	0	54	0.0	-66.90	388.47	9.44	-57.46
CCCN(C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(C)C(=O)[O-]	REAL300012961166	1	54	0.0	-43.58	380.15	10.83	-32.75
O=C([O-])CN(CC(F)(F)F)C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961167	0	48	0.0	-65.84	370.50	9.23	-56.61
O=C([O-])CN(CC(F)(F)F)C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961167	1	48	0.0	-66.40	363.17	9.65	-56.75
O=C([O-])CN(CC(F)(F)F)C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961168	0	48	0.0	-65.84	370.50	9.23	-56.61
O=C([O-])CN(CC(F)(F)F)C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961168	1	48	0.0	-66.40	363.17	9.65	-56.75
CN(C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012961169	0	51	0.0	-72.98	363.08	8.85	-64.13
CN(C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012961169	1	51	0.0	-74.60	359.14	9.34	-65.26
O=C([O-])[C@@H]1CCCN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961170	0	49	0.0	-78.83	357.55	8.46	-70.37
O=C([O-])[C@@H]1CCCN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961170	1	49	0.0	-80.96	354.87	8.95	-72.01
O=C([O-])CN(CCN1CCOCC1)C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961171	0	61	0.0	-58.68	444.22	7.22	-51.46
O=C([O-])CN(CCN1CCOCC1)C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961171	1	61	0.0	-55.86	440.21	7.74	-48.12
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961172	0	50	0.0	-79.10	370.16	5.01	-74.09
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961172	1	50	0.0	-81.61	366.08	5.56	-76.05
CN1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC1	REAL300012961173	1	65	0.0	-58.39	469.42	7.09	-51.30
CN1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CC1	REAL300012961173	1	65	0.0	-55.17	460.15	7.40	-47.77
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961174	0	56	0.0	-55.99	411.94	11.64	-44.35
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961174	1	56	0.0	-51.63	407.27	12.16	-39.47
C[C@H]1CC2=CC=CC=C2N(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)[C@H]1C(=O)[O-]	REAL300012961175	0	59	0.0	-63.01	420.70	11.97	-51.04
C[C@H]1CC2=CC=CC=C2N(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)[C@H]1C(=O)[O-]	REAL300012961175	1	59	0.0	-58.46	416.93	12.50	-45.96
CCC[C@@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961176	0	51	0.0	-69.54	379.21	7.74	-61.80
CCC[C@@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961176	1	51	0.0	-70.84	375.17	8.28	-62.56
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961177	0	57	0.0	-71.29	413.69	10.09	-61.20
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961177	1	57	0.0	-71.63	409.63	10.65	-60.98
O=C([O-])[C@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300012961178	0	52	0.0	-71.45	394.13	8.98	-62.47
O=C([O-])[C@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300012961178	1	52	0.0	-72.33	390.08	9.52	-62.81
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961179	0	57	0.0	-73.77	433.41	8.96	-64.81
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961179	1	57	0.0	-73.06	429.95	9.53	-63.53
C=CCCC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961180	0	52	0.0	-71.25	391.43	8.26	-62.99
C=CCCC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961180	1	52	0.0	-70.70	387.98	8.84	-61.86
O=C([O-])C(CC1=NC=CS1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961181	0	51	0.0	-72.68	402.70	6.99	-65.69
O=C([O-])C(CC1=NC=CS1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961181	1	51	0.0	-74.61	398.69	7.53	-67.08
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961182	0	52	0.0	-68.92	422.42	8.75	-60.17
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961182	1	52	0.0	-68.68	418.13	9.33	-59.35
O=C([O-])C1CS(=O)(=O)CCN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961183	0	52	0.0	-86.43	387.18	6.34	-80.09
O=C([O-])C1CS(=O)(=O)CCN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961183	1	52	0.0	-89.85	383.11	6.86	-82.99
CN1CC(C(=O)[O-])N(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC1=O	REAL300012961184	0	53	0.0	-71.51	384.65	8.07	-63.44
CN1CC(C(=O)[O-])N(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CC1=O	REAL300012961184	1	53	0.0	-73.45	380.65	8.62	-64.83
C[C@]1(C(=O)[O-])CCCN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961185	0	52	0.0	-75.22	375.16	9.35	-65.87
C[C@]1(C(=O)[O-])CCCN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961185	1	52	0.0	-77.80	369.76	9.90	-67.90
CC(C)[C@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961186	0	51	0.0	-70.90	372.13	7.46	-63.44
CC(C)[C@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961186	1	51	0.0	-72.21	365.95	7.83	-64.38
O=C([O-])[C@@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300012961187	0	52	0.0	-72.92	393.89	9.07	-63.85
O=C([O-])[C@@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300012961187	1	52	0.0	-73.06	389.81	9.60	-63.46
CC(CN1C=CC=N1)(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961188	0	55	0.0	-72.70	403.56	8.32	-64.38
CC(CN1C=CC=N1)(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961188	1	55	0.0	-72.60	403.91	8.87	-63.73
CCC[C@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961189	0	51	0.0	-72.23	379.45	7.69	-64.54
CCC[C@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961189	1	51	0.0	-72.58	375.41	8.22	-64.36
CCN(C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(C)C(=O)[O-]	REAL300012961190	0	51	0.0	-68.76	365.95	8.83	-59.93
CCN(C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(C)C(=O)[O-]	REAL300012961190	1	51	0.0	-68.03	361.60	9.30	-58.73
O=C([O-])CN(C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCCC1	REAL300012961191	0	55	0.0	-54.11	393.52	10.33	-43.78
O=C([O-])CN(C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1CCCC1	REAL300012961191	1	55	0.0	-53.78	389.22	10.91	-42.87
CC(CN(C)C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961192	0	51	0.0	-75.64	369.43	8.65	-66.99
CC(CN(C)C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961192	1	51	0.0	-77.62	365.49	9.18	-68.44
CC[C@H](C)[C@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961193	0	54	0.0	-73.21	389.19	7.87	-65.34
CC[C@H](C)[C@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961193	1	54	0.0	-73.51	385.16	8.41	-65.10
CC[C@@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961194	0	51	0.0	-69.28	369.70	9.08	-60.20
CC[C@@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961194	1	51	0.0	-69.11	364.30	9.60	-59.51
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC(CO)C1	REAL300012961195	0	53	0.0	-81.21	389.62	4.79	-76.42
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CC(CO)C1	REAL300012961195	1	53	0.0	-76.35	387.06	5.45	-70.90
C[C@@H](OC(C)(C)C)[C@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961196	0	61	0.0	-73.21	437.69	8.15	-65.06
C[C@@H](OC(C)(C)C)[C@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961196	1	61	0.0	-74.50	437.38	8.76	-65.74
CC1CCC(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)(C(=O)[O-])C1	REAL300012961197	0	55	0.0	-75.66	394.15	8.57	-67.09
CC1CCC(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)(C(=O)[O-])C1	REAL300012961197	1	55	0.0	-75.47	390.10	9.19	-66.28
CC1(C)CCCC1(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961198	0	58	0.0	-73.62	401.93	9.26	-64.36
CC1(C)CCCC1(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961198	1	58	0.0	-75.34	400.66	9.91	-65.43
COCCC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961199	0	52	0.0	-72.01	390.79	6.00	-66.01
COCCC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961199	1	52	0.0	-71.55	387.58	6.52	-65.03
CN(C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012961200	0	58	0.0	-70.08	426.97	11.99	-58.09
CN(C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012961200	1	58	0.0	-71.22	422.65	12.48	-58.74
CC1(C)CC(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)(C(=O)[O-])C1	REAL300012961201	0	55	0.0	-74.73	395.52	9.32	-65.41
CC1(C)CC(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)(C(=O)[O-])C1	REAL300012961201	1	55	0.0	-77.18	391.12	9.85	-67.33
CC1CCC(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012961202	0	62	0.0	-78.38	443.11	11.35	-67.03
CC1CCC(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012961202	1	62	0.0	-76.52	438.72	11.83	-64.69
CC1(C(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])CC1	REAL300012961203	0	52	0.0	-71.43	379.43	8.26	-63.17
CC1(C(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])CC1	REAL300012961203	1	52	0.0	-73.10	382.65	8.58	-64.52
C[C@H](OC(C)(C)C)[C@@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961204	0	61	0.0	-71.89	442.00	8.12	-63.77
C[C@H](OC(C)(C)C)[C@@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961204	1	61	0.0	-72.12	437.72	8.73	-63.39
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961205	0	50	0.0	-82.62	368.75	5.29	-77.33
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O=C([O-])C1(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CCC2=CC=CC=C2C1	REAL300012961255	1	59	0.0	-75.43	421.39	11.59	-63.84
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CC(C)C1=CC=C(C(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])C=C1	REAL300012961258	1	61	0.0	-72.47	449.70	11.49	-60.98
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961259	0	49	0.0	-76.74	364.09	8.51	-68.23
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961259	1	49	0.0	-77.84	360.04	9.05	-68.79
O=C([O-])C1C2C=CC(C2)N1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961260	0	51	0.0	-49.87	372.07	9.68	-40.19
O=C([O-])C1C2C=CC(C2)N1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961260	1	51	0.0	-48.51	368.01	10.23	-38.28
CC1(C)CCN(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1C(=O)[O-]	REAL300012961261	0	55	0.0	-79.00	390.44	9.79	-69.21
CC1(C)CCN(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C1C(=O)[O-]	REAL300012961261	1	55	0.0	-80.08	388.83	10.01	-70.07
CCOC1=CC=C(C(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])C=C1	REAL300012961262	0	59	0.0	-72.36	445.46	9.21	-63.15
CCOC1=CC=C(C(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])C=C1	REAL300012961262	1	59	0.0	-72.07	441.47	9.74	-62.33
O=C([O-])C1CCC2(CCC2)CN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961263	0	59	0.0	-79.52	411.57	11.49	-68.03
O=C([O-])C1CCC2(CCC2)CN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961263	1	59	0.0	-84.57	410.01	12.36	-72.21
O=C([O-])C(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCC2=CC=CC=C21	REAL300012961264	0	59	0.0	-70.18	434.56	10.87	-59.31
O=C([O-])C(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1CCC2=CC=CC=C21	REAL300012961264	1	59	0.0	-72.04	430.52	11.42	-60.62
CC(COC1=CC=CC=C1)(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961265	0	59	0.0	-77.91	436.54	10.03	-67.88
CC(COC1=CC=CC=C1)(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961265	1	59	0.0	-77.34	432.51	10.56	-66.78
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961266	0	55	0.0	-68.81	424.34	10.24	-58.57
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961266	1	55	0.0	-69.26	421.78	10.70	-58.56
CC(C)CCC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961267	0	57	0.0	-71.95	418.28	9.04	-62.91
CC(C)CCC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961267	1	57	0.0	-72.78	414.47	9.51	-63.27
O=C([O-])C1CC2(CCC2)CN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961268	0	56	0.0	-54.10	405.94	10.26	-43.84
O=C([O-])C1CC2(CCC2)CN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961268	1	56	0.0	-49.58	401.98	10.80	-38.78
O=C([O-])C(CC1CCOC1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961269	0	56	0.0	-72.29	412.81	6.96	-65.33
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O=C([O-])C1(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CCCC2CC21	REAL300012961271	0	56	0.0	-75.23	395.95	9.49	-65.74
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CCCC2CC21	REAL300012961271	1	56	0.0	-78.84	389.28	10.29	-68.55
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CCC2CC21	REAL300012961272	0	53	0.0	-77.61	380.33	8.87	-68.74
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CCC2CC21	REAL300012961272	1	53	0.0	-75.32	377.62	9.21	-66.11
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC2(CCC2)C1	REAL300012961273	0	56	0.0	-72.81	401.69	9.23	-63.58
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CC2(CCC2)C1	REAL300012961273	1	56	0.0	-77.35	403.51	10.02	-67.33
CN(C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012961274	0	58	0.0	-69.58	424.95	11.86	-57.72
CN(C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012961274	1	58	0.0	-71.24	422.65	12.48	-58.76
O=C([O-])C1CC2(CN1C(=O)N[C@H]1CCC[N@@H+](C3CCCC3)C1)CCCCC2	REAL300012961275	0	62	0.0	-54.00	435.01	11.23	-42.77
O=C([O-])C1CC2(CN1C(=O)N[C@H]1CCC[N@H+](C3CCCC3)C1)CCCCC2	REAL300012961275	1	62	0.0	-48.94	428.78	11.79	-37.15
O=C([O-])C(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCCC1	REAL300012961276	0	55	0.0	-70.45	394.19	8.49	-61.96
O=C([O-])C(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1CCCC1	REAL300012961276	1	55	0.0	-72.71	390.12	8.97	-63.74
CO[C@H](C)[C@H](NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961277	0	52	0.0	-73.53	387.96	6.16	-67.37
CO[C@H](C)[C@H](NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961277	1	52	0.0	-73.60	383.91	6.69	-66.91
CC1[C@@H](C)[C@@]1(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961278	0	52	0.0	-76.83	377.08	8.45	-68.38
CC1[C@@H](C)[C@@]1(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961278	1	52	0.0	-75.14	368.06	8.68	-66.46
O=C([O-])CN(CC1=CC=CC=C1)C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961279	0	55	0.0	-57.56	414.88	11.74	-45.82
O=C([O-])CN(CC1=CC=CC=C1)C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961279	1	55	0.0	-52.84	404.77	11.98	-40.86
CC1(C)CC(C(=O)[O-])N(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1	REAL300012961280	0	55	0.0	-53.94	398.96	9.53	-44.41
CC1(C)CC(C(=O)[O-])N(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C1	REAL300012961280	1	55	0.0	-48.75	393.88	10.14	-38.61
O=C([O-])C1CC(F)(F)CCN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961281	0	52	0.0	-77.41	378.90	9.89	-67.52
O=C([O-])C1CC(F)(F)CCN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961281	1	52	0.0	-80.03	374.89	10.43	-69.60
O=C([O-])C1N(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CCC1(F)F	REAL300012961282	0	49	0.0	-80.70	372.05	8.57	-72.13
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O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961283	0	55	0.0	-67.89	422.79	9.99	-57.90
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961283	1	55	0.0	-75.83	417.88	10.55	-65.28
O=C([O-])C(CC1=CSC=C1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961284	0	52	0.0	-72.09	406.38	8.87	-63.22
O=C([O-])C(CC1=CSC=C1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961284	1	52	0.0	-71.29	403.03	9.45	-61.84
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961285	0	52	0.0	-69.12	385.82	9.50	-59.62
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961285	1	52	0.0	-72.55	383.23	10.02	-62.53
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC2(CC(F)(F)C2)C1	REAL300012961286	0	56	0.0	-74.21	421.15	9.64	-64.57
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CC2(CC(F)(F)C2)C1	REAL300012961286	1	56	0.0	-76.66	416.89	10.20	-66.46
O=C([O-])C(CC1=CSC=C1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961287	0	52	0.0	-72.09	406.38	8.87	-63.22
O=C([O-])C(CC1=CSC=C1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961287	1	52	0.0	-71.29	403.03	9.45	-61.84
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961288	0	56	0.0	-78.55	394.36	9.96	-68.59
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961288	1	56	0.0	-80.99	391.60	10.71	-70.28
COCCCC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961289	0	55	0.0	-71.17	412.89	6.81	-64.36
COCCCC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961289	1	55	0.0	-71.84	409.08	7.29	-64.55
CCCC(C(=O)[O-])N(C)C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961290	0	54	0.0	-69.75	391.24	9.70	-60.05
CCCC(C(=O)[O-])N(C)C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961290	1	54	0.0	-67.98	386.90	10.37	-57.61
CCOCC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961291	0	52	0.0	-71.63	391.67	6.12	-65.51
CCOCC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961291	1	52	0.0	-73.57	387.14	6.66	-66.91
CC(C)(C)CC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961292	0	57	0.0	-70.55	408.78	9.31	-61.24
CC(C)(C)CC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961292	1	57	0.0	-73.28	404.75	9.85	-63.43
O=C([O-])C(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCCCO1	REAL300012961293	0	56	0.0	-74.89	408.70	7.47	-67.42
O=C([O-])C(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C1CCCCO1	REAL300012961293	1	56	0.0	-73.45	405.51	8.05	-65.40
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC2=CC=CC=C2C1	REAL300012961294	0	56	0.0	-73.06	414.79	10.29	-62.77
O=C([O-])C1(NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CC2=CC=CC=C2C1	REAL300012961294	1	56	0.0	-76.50	409.54	10.82	-65.68
C[C@H]1OCCN(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)[C@@H]1C(=O)[O-]	REAL300012961295	0	53	0.0	-77.42	378.67	8.13	-69.29
C[C@H]1OCCN(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)[C@@H]1C(=O)[O-]	REAL300012961295	1	53	0.0	-80.00	374.62	8.60	-71.40
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961296	0	55	0.0	-69.87	399.71	9.79	-60.08
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961296	1	55	0.0	-74.02	395.35	10.33	-63.69
N#CCCC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961297	0	49	0.0	-71.37	378.81	7.41	-63.96
N#CCCC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300012961297	1	49	0.0	-72.78	374.76	7.96	-64.82
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961298	0	58	0.0	-74.78	446.29	10.17	-64.61
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961298	1	58	0.0	-75.40	437.69	10.81	-64.59
O=C([O-])CN(CC1=CC=CO1)C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961299	0	52	0.0	-58.47	396.55	9.88	-48.59
O=C([O-])CN(CC1=CC=CO1)C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961299	1	52	0.0	-54.87	392.51	10.42	-44.45
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961300	0	63	0.0	-80.08	430.70	10.64	-69.44
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961300	1	63	0.0	-81.46	427.41	10.87	-70.59
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300012961301	0	54	0.0	-68.87	428.11	8.55	-60.32
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300012961301	1	54	0.0	-73.75	424.25	9.09	-64.66
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1	REAL300012961302	0	56	0.0	-75.38	412.12	8.64	-66.74
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C1	REAL300012961302	1	56	0.0	-76.54	406.98	9.39	-67.15
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3(C2)NC(=O)NC3=O)CC1	REAL300012961463	0	53	0.0	-62.08	412.22	0.63	-61.45
CC(C)C[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961966	0	58	0.0	-67.61	434.95	9.97	-57.64
CC(C)C[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961966	1	58	0.0	-67.35	435.97	9.99	-57.36
C=CCOCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961967	0	57	0.0	-69.20	443.70	8.54	-60.66
C=CCOCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961967	1	57	0.0	-66.89	441.67	8.42	-58.47
C=CC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961968	0	56	0.0	-62.84	426.32	9.80	-53.04
C=CC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961968	1	56	0.0	-65.63	426.59	9.78	-55.85
CC1CCN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCC3)C2)C(C(=O)[O-])C1	REAL300012961969	0	59	0.0	-75.78	422.01	11.97	-63.81
CC1CCN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)C(C(=O)[O-])C1	REAL300012961969	1	59	0.0	-75.03	421.74	12.25	-62.78
CCCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961970	0	55	0.0	-50.85	415.73	11.19	-39.66
CCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961970	1	55	0.0	-50.66	414.49	11.19	-39.47
CC(C(=O)[O-])N(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1CCC1	REAL300012961971	0	59	0.0	-55.19	428.80	11.57	-43.62
CC(C(=O)[O-])N(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1CCC1	REAL300012961971	1	59	0.0	-57.36	429.43	11.65	-45.71
CCCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(CC)C(=O)[O-]	REAL300012961972	0	61	0.0	-69.03	449.78	13.06	-55.97
CCCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(CC)C(=O)[O-]	REAL300012961972	1	61	0.0	-48.99	440.84	12.84	-36.15
CC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961973	0	55	0.0	-65.71	410.02	9.00	-56.71
CC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961973	1	55	0.0	-65.17	412.10	9.20	-55.97
O=C([O-])C1CCCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961974	0	56	0.0	-75.37	407.86	11.61	-63.76
O=C([O-])C1CCCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961974	1	56	0.0	-74.76	407.61	11.89	-62.87
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O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)CCCCC1	REAL300012961976	1	59	0.0	-67.12	424.64	10.81	-56.31
O=C([O-])C1CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961977	0	53	0.0	-71.03	396.94	10.20	-60.83
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O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)CCCC1	REAL300012961978	1	56	0.0	-70.87	413.50	9.82	-61.05
O=C([O-])C1(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCC3)C2)CCCCCC1	REAL300012961979	0	62	0.0	-67.61	431.43	11.50	-56.11
O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)CCCCCC1	REAL300012961979	1	62	0.0	-68.31	433.25	11.57	-56.74
O=C([O-])CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961980	0	46	0.0	-57.56	353.68	6.79	-50.77
O=C([O-])CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961980	1	46	0.0	-58.28	355.90	6.84	-51.44
O=C([O-])[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1=CC=CC=C1	REAL300012961981	0	56	0.0	-67.50	433.23	10.83	-56.67
O=C([O-])[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1=CC=CC=C1	REAL300012961981	1	56	0.0	-65.86	431.30	10.69	-55.17
O=C([O-])C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1=CC=CC=C1	REAL300012961982	0	56	0.0	-66.26	434.50	10.84	-55.42
O=C([O-])C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1=CC=CC=C1	REAL300012961982	1	56	0.0	-66.78	434.67	10.76	-56.02
CCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961983	0	52	0.0	-67.27	397.22	8.71	-58.56
CCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961983	1	52	0.0	-67.08	397.27	8.69	-58.39
CC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961984	0	55	0.0	-65.71	410.02	9.00	-56.71
CC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961984	1	55	0.0	-65.17	412.10	9.20	-55.97
CN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961985	0	49	0.0	-66.54	372.42	9.45	-57.09
CN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961985	1	49	0.0	-64.68	373.38	9.50	-55.18
CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961986	0	49	0.0	-58.05	375.39	7.68	-50.37
CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961986	1	49	0.0	-58.64	375.44	7.66	-50.98
CCC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961987	0	58	0.0	-64.01	429.53	9.83	-54.18
CCC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961987	1	58	0.0	-66.34	432.24	9.88	-56.46
CN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961988	0	49	0.0	-66.54	372.42	9.45	-57.09
CN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961988	1	49	0.0	-64.68	373.38	9.50	-55.18
O=C([O-])C1CCCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961989	0	56	0.0	-75.37	407.86	11.61	-63.76
O=C([O-])C1CCCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961989	1	56	0.0	-74.76	407.61	11.89	-62.87
CCCC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961990	0	58	0.0	-63.17	421.94	9.75	-53.42
CCCC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961990	1	58	0.0	-66.13	422.90	9.80	-56.33
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961991	0	55	0.0	-50.81	406.42	10.88	-39.93
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961991	1	55	0.0	-64.52	405.77	10.77	-53.75
O=C([O-])CN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1CC1	REAL300012961992	0	53	0.0	-49.05	399.57	11.05	-38.00
O=C([O-])CN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1CC1	REAL300012961992	1	53	0.0	-68.38	394.14	10.69	-57.69
C=CCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961993	0	53	0.0	-51.12	408.07	11.04	-40.08
C=CCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961993	1	53	0.0	-51.66	409.27	11.05	-40.61
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961994	0	58	0.0	-51.17	431.42	11.76	-39.41
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961994	1	58	0.0	-51.33	432.37	11.55	-39.78
CC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961995	0	52	0.0	-57.03	387.05	8.01	-49.02
CC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012961995	1	52	0.0	-57.19	388.01	8.06	-49.13
CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)(C(=O)[O-])C1CC1	REAL300012961996	0	56	0.0	-64.66	409.93	9.74	-54.92
CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)(C(=O)[O-])C1CC1	REAL300012961996	1	56	0.0	-68.38	412.16	9.80	-58.58
O=C([O-])C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1=CC=CS1	REAL300012961997	0	53	0.0	-66.01	423.81	9.86	-56.15
O=C([O-])C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1=CC=CS1	REAL300012961997	1	53	0.0	-66.53	426.10	9.91	-56.62
O=C([O-])C1(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCC3)C2)CCCCC1	REAL300012961998	0	59	0.0	-67.16	425.81	10.82	-56.34
O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)CCCCC1	REAL300012961998	1	59	0.0	-67.12	424.64	10.81	-56.31
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961999	0	55	0.0	-50.81	406.42	10.88	-39.93
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012961999	1	55	0.0	-64.52	405.77	10.77	-53.75
CCCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962000	0	55	0.0	-50.85	415.73	11.19	-39.66
CCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962000	1	55	0.0	-50.66	414.49	11.19	-39.47
CCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962001	0	52	0.0	-66.57	395.26	10.48	-56.09
CCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962001	1	52	0.0	-64.64	395.20	10.48	-54.16
CC[C@H](C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012962002	0	58	0.0	-66.50	428.44	9.66	-56.84
CC[C@H](C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012962002	1	58	0.0	-67.88	428.50	9.64	-58.24
O=C([O-])C1(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCC3)C2)CCCC1	REAL300012962003	0	56	0.0	-70.05	412.19	9.78	-60.27
O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)CCCC1	REAL300012962003	1	56	0.0	-70.87	413.50	9.82	-61.05
CCC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012962004	0	55	0.0	-65.92	400.45	8.99	-56.93
CCC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012962004	1	55	0.0	-65.10	399.20	8.99	-56.11
C[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012962005	0	49	0.0	-57.97	375.19	7.70	-50.27
C[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012962005	1	49	0.0	-58.49	376.70	7.66	-50.83
CCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962006	0	52	0.0	-66.57	395.26	10.48	-56.09
CCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962006	1	52	0.0	-64.64	395.20	10.48	-54.16
C[C@@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012962007	0	49	0.0	-57.71	374.47	7.61	-50.10
C[C@@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300012962007	1	49	0.0	-58.40	375.75	7.62	-50.78
O=C([O-])C1(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCC3)C2)CC1	REAL300012962008	0	50	0.0	-70.06	382.81	8.88	-61.18
O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)CC1	REAL300012962008	1	50	0.0	-69.44	379.39	8.82	-60.62
O=C([O-])C1COCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962009	0	54	0.0	-71.08	397.44	9.23	-61.85
O=C([O-])C1COCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962009	1	54	0.0	-71.94	399.07	9.20	-62.74
CN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1(C(=O)[O-])CCCCC1	REAL300012962010	0	62	0.0	-72.38	435.07	12.15	-60.23
CN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1(C(=O)[O-])CCCCC1	REAL300012962010	1	62	0.0	-69.41	436.03	12.18	-57.23
O=C([O-])C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1CC1	REAL300012962011	0	53	0.0	-67.64	406.07	9.17	-58.47
O=C([O-])C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1CC1	REAL300012962011	1	53	0.0	-67.42	407.00	9.23	-58.19
COCCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962012	0	56	0.0	-56.31	427.86	9.67	-46.64
COCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962012	1	56	0.0	-52.96	427.84	9.67	-43.29
O=C([O-])[C@H]1CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962013	0	53	0.0	-71.01	397.28	10.12	-60.89
O=C([O-])[C@H]1CCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962013	1	53	0.0	-74.93	399.47	10.21	-64.72
O=C([O-])[C@H]1CCCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962014	0	56	0.0	-74.41	406.90	11.63	-62.78
O=C([O-])[C@H]1CCCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962014	1	56	0.0	-71.94	404.76	11.53	-60.41
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300012962015	0	52	0.0	-62.23	389.15	9.63	-52.60
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CC1=CC=CC(C(NC(=O)NC2CC3CC2C[N@@H+]3C)C(=O)[O-])=C1C	REAL300012962424	1	49	0.0	-71.90	359.97	8.42	-63.48
COC1=CC=C(C(NC(=O)NC2CC3CC2C[N@@H+]3C)C(=O)[O-])C=C1F	REAL300012962425	0	47	0.0	-74.10	369.17	5.96	-68.14
COC1=CC=C(C(NC(=O)NC2CC3CC2C[N@H+]3C)C(=O)[O-])C=C1F	REAL300012962425	1	47	0.0	-76.79	369.53	6.67	-70.12
C[N@@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012962426	0	49	0.0	-56.02	393.29	11.06	-44.96
C[N@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300012962426	1	49	0.0	-57.71	395.94	10.54	-47.17
C[N@@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300012962427	0	46	0.0	-57.47	375.85	10.66	-46.81
C[N@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300012962427	1	46	0.0	-60.51	376.15	9.91	-50.60
CCCN(C(=O)NC1CC2CC1C[N@@H+]2C)C(COC)C(=O)[O-]	REAL300012962428	0	49	0.0	-72.73	354.59	6.65	-66.08
CCCN(C(=O)NC1CC2CC1C[N@H+]2C)C(COC)C(=O)[O-]	REAL300012962428	1	49	0.0	-80.13	356.44	8.72	-71.41
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012962429	0	43	0.0	-69.91	350.51	7.84	-62.07
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012962429	1	43	0.0	-69.58	352.95	7.41	-62.17
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012962430	0	49	0.0	-77.07	333.37	7.80	-69.27
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300012962430	1	49	0.0	-75.85	332.43	7.37	-68.48
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012962431	0	46	0.0	-77.74	355.12	8.26	-69.48
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012962431	1	46	0.0	-74.49	354.96	7.54	-66.95
C[N@@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012962432	0	46	0.0	-49.88	348.41	9.75	-40.13
C[N@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012962432	1	46	0.0	-51.00	354.85	10.10	-40.90
C[N@@H+]1CC2CC1CC2NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012962433	0	43	0.0	-72.91	333.57	7.39	-65.52
C[N@H+]1CC2CC1CC2NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012962433	1	43	0.0	-73.32	328.13	7.21	-66.11
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012962434	0	43	0.0	-75.79	333.54	7.39	-68.40
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012962434	1	43	0.0	-74.28	333.35	6.66	-67.62
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012962435	0	46	0.0	-77.74	355.12	8.26	-69.48
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300012962435	1	46	0.0	-74.49	354.96	7.54	-66.95
C[N@@H+]1CC2CC1CC2NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012962436	0	47	0.0	-85.44	345.39	10.32	-75.12
C[N@H+]1CC2CC1CC2NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300012962436	1	47	0.0	-78.43	349.76	9.60	-68.83
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012962437	0	40	0.0	-71.32	325.40	6.39	-64.93
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300012962437	1	40	0.0	-74.16	318.99	6.35	-67.81
C[N@@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012962438	0	46	0.0	-56.19	371.29	10.58	-45.61
C[N@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300012962438	1	46	0.0	-57.91	373.94	10.06	-47.85
C[N@@H+]1CC2CC1CC2NC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012962439	0	50	0.0	-75.25	387.64	7.82	-67.43
C[N@H+]1CC2CC1CC2NC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012962439	1	50	0.0	-75.49	384.31	7.62	-67.87
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NC2CC3CC2C[N@@H+]3C)=C1	REAL300012962440	0	54	0.0	-64.60	413.84	7.91	-56.69
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)NC2CC3CC2C[N@H+]3C)=C1	REAL300012962440	1	54	0.0	-54.21	413.48	8.65	-45.56
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012962441	0	43	0.0	-69.74	355.07	7.94	-61.80
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300012962441	1	43	0.0	-69.45	357.51	7.51	-61.94
C[N@@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012962442	0	46	0.0	-56.42	360.97	10.12	-46.30
C[N@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300012962442	1	46	0.0	-58.14	363.61	9.61	-48.53
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012962443	0	47	0.0	-75.32	351.74	8.49	-66.83
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012962443	1	47	0.0	-76.57	347.03	8.44	-68.13
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012962444	0	43	0.0	-75.69	343.79	7.47	-68.22
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300012962444	1	43	0.0	-77.17	338.80	7.40	-69.77
C[N@@H+]1CC2CC1CC2NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012962445	0	46	0.0	-74.58	341.56	8.09	-66.49
C[N@H+]1CC2CC1CC2NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012962445	1	46	0.0	-73.82	341.92	8.10	-65.72
CCCCCCC(C)(NC(=O)NC1CC2CC1C[N@@H+]2C)C(=O)[O-]	REAL300012962446	0	54	0.0	-76.30	388.06	8.73	-67.57
CCCCCCC(C)(NC(=O)NC1CC2CC1C[N@H+]2C)C(=O)[O-]	REAL300012962446	1	54	0.0	-72.48	387.75	8.69	-63.79
CN(C(=O)NC1CC2CC1C[N@@H+]2C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012962447	0	49	0.0	-72.75	366.47	9.48	-63.27
CN(C(=O)NC1CC2CC1C[N@H+]2C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012962447	1	49	0.0	-76.52	365.21	10.34	-66.18
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012962448	0	43	0.0	-69.91	350.51	7.84	-62.07
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012962448	1	43	0.0	-69.58	352.95	7.41	-62.17
CN(C(=O)NC1CC2CC1C[N@@H+]2C)C1(C(=O)[O-])CCCCC1	REAL300012962449	0	49	0.0	-83.99	330.08	8.59	-75.40
CN(C(=O)NC1CC2CC1C[N@H+]2C)C1(C(=O)[O-])CCCCC1	REAL300012962449	1	49	0.0	-78.16	336.71	8.03	-70.13
C[N@@H+]1CC2CC1CC2NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012962450	0	49	0.0	-59.23	371.75	10.61	-48.62
C[N@H+]1CC2CC1CC2NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012962450	1	49	0.0	-61.09	379.61	10.32	-50.77
CN(C(=O)NC1CC2CC1C[N@@H+]2C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012962451	0	46	0.0	-71.92	341.23	8.20	-63.72
CN(C(=O)NC1CC2CC1C[N@H+]2C)C(C(=O)[O-])C1=CC=CC=C1	REAL300012962451	1	46	0.0	-72.98	341.05	8.87	-64.11
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012962452	0	47	0.0	-81.49	348.36	8.37	-73.12
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300012962452	1	47	0.0	-77.10	348.78	8.41	-68.69
C[N@@H+]1CC2CC1CC2NC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012962453	0	50	0.0	-80.43	389.71	8.26	-72.17
C[N@H+]1CC2CC1CC2NC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300012962453	1	50	0.0	-80.59	389.89	7.48	-73.11
C[N@@H+]1CC2CC1CC2NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012962454	0	49	0.0	-59.23	371.75	10.61	-48.62
C[N@H+]1CC2CC1CC2NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300012962454	1	49	0.0	-61.09	379.61	10.32	-50.77
CCC1CCC(NC(=O)NC2CC3CC2C[N@@H+]3C)(C(=O)[O-])CC1	REAL300012962455	0	52	0.0	-80.93	366.56	8.71	-72.22
CCC1CCC(NC(=O)NC2CC3CC2C[N@H+]3C)(C(=O)[O-])CC1	REAL300012962455	1	52	0.0	-74.33	368.74	8.15	-66.18
C[N@@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012962456	0	47	0.0	-51.88	338.28	6.74	-45.14
C[N@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012962456	1	47	0.0	-51.31	338.60	6.79	-44.52
C[N@@H+]1CC2CC1CC2NC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012962457	0	46	0.0	-71.24	373.59	9.06	-62.18
C[N@H+]1CC2CC1CC2NC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300012962457	1	46	0.0	-67.67	373.81	8.30	-59.37
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012962458	0	43	0.0	-77.71	343.96	7.72	-69.99
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300012962458	1	43	0.0	-74.80	340.61	7.69	-67.11
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012962459	0	43	0.0	-81.58	337.42	7.41	-74.17
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300012962459	1	43	0.0	-78.95	332.39	7.32	-71.63
C[N@@H+]1CC2CC1CC2NC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012962460	0	47	0.0	-62.26	348.92	9.61	-52.65
C[N@H+]1CC2CC1CC2NC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300012962460	1	47	0.0	-58.00	342.50	9.63	-48.37
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012962461	0	46	0.0	-76.64	370.92	8.66	-67.98
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300012962461	1	46	0.0	-70.30	369.18	7.79	-62.51
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012962462	0	52	0.0	-76.75	399.48	10.38	-66.37
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300012962462	1	52	0.0	-77.51	402.39	9.81	-67.70
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012962463	0	52	0.0	-76.90	377.92	8.44	-68.46
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012962463	1	52	0.0	-72.65	377.55	7.78	-64.87
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC2CC1C[N@@H+]2C	REAL300012962464	0	49	0.0	-61.78	368.22	9.73	-52.05
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC2CC1C[N@H+]2C	REAL300012962464	1	49	0.0	-49.30	362.40	10.15	-39.15
CC1=CC=C(C(NC(=O)NC2CC3CC2C[N@H+]3C)C(=O)[O-])C=C1	REAL300012962465	0	46	0.0	-76.26	355.18	7.98	-68.28
CC1=CC=C(C(NC(=O)NC2CC3CC2C[N@@H+]3C)C(=O)[O-])C=C1	REAL300012962465	1	46	0.0	-73.26	357.63	7.56	-65.70
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012962466	0	39	0.0	-66.52	313.52	5.93	-60.59
C[N@H+]1CC2CC1CC2NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012962466	1	39	0.0	-67.18	313.35	5.21	-61.97
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012962467	0	49	0.0	-74.54	379.52	9.65	-64.89
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300012962467	1	49	0.0	-75.49	379.43	8.85	-66.64
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012962468	0	44	0.0	-70.71	327.38	6.57	-64.14
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCSCC1	REAL300012962468	1	44	0.0	-72.80	318.60	7.01	-65.79
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC2CC1C[N@@H+]2C	REAL300012962469	0	52	0.0	-59.18	373.77	9.79	-49.39
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CC2CC1C[N@H+]2C	REAL300012962469	1	52	0.0	-49.80	374.17	10.51	-39.29
C[N@@H+]1CC2CC1CC2NC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012962470	0	42	0.0	-55.26	329.97	7.96	-47.30
C[N@H+]1CC2CC1CC2NC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300012962470	1	42	0.0	-61.80	334.99	7.45	-54.35
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012962471	0	49	0.0	-73.42	356.29	7.69	-65.73
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012962471	1	49	0.0	-76.38	347.53	7.55	-68.83
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012962472	0	46	0.0	-69.06	389.29	9.34	-59.72
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300012962472	1	46	0.0	-69.04	391.94	8.83	-60.21
CN(C(=O)NC1CC2CC1C[N@@H+]2C)C(COC1CCC1)C(=O)[O-]	REAL300012962473	0	50	0.0	-72.83	368.09	8.08	-64.75
CN(C(=O)NC1CC2CC1C[N@H+]2C)C(COC1CCC1)C(=O)[O-]	REAL300012962473	1	50	0.0	-69.36	366.67	7.98	-61.38
C[N@@H+]1CC2CC1CC2NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012962474	0	50	0.0	-79.61	375.33	10.71	-68.90
C[N@H+]1CC2CC1CC2NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300012962474	1	50	0.0	-79.10	375.47	10.71	-68.39
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC2CC1C[N@@H+]2C	REAL300012962475	0	49	0.0	-55.75	353.55	10.49	-45.26
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC2CC1C[N@H+]2C	REAL300012962475	1	49	0.0	-77.61	358.75	10.41	-67.20
COC1=CC=C(C(NC(=O)NC2CC3CC2C[N@@H+]3C)C(=O)[O-])C=C1	REAL300012962476	0	47	0.0	-73.21	365.96	6.09	-67.12
COC1=CC=C(C(NC(=O)NC2CC3CC2C[N@H+]3C)C(=O)[O-])C=C1	REAL300012962476	1	47	0.0	-73.26	363.31	6.62	-66.64
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC2CC1C[N@@H+]2C	REAL300012962477	0	49	0.0	-71.27	363.54	6.88	-64.39
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CC2CC1C[N@H+]2C	REAL300012962477	1	49	0.0	-69.29	359.24	7.40	-61.89
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012962478	0	46	0.0	-77.35	344.03	3.48	-73.87
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300012962478	1	46	0.0	-81.58	344.03	3.48	-78.10
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC2CC1C[N@@H+]2C	REAL300012962479	0	49	0.0	-78.54	350.29	8.77	-69.77
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CC2CC1C[N@H+]2C	REAL300012962479	1	49	0.0	-81.25	348.33	9.69	-71.56
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC2CC1C[N@@H+]2C	REAL300012962480	0	49	0.0	-54.11	363.97	10.28	-43.83
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC2CC1C[N@H+]2C	REAL300012962480	1	49	0.0	-61.77	358.83	9.80	-51.97
CCC(NC(=O)NC1CC2CC1C[N@@H+]2C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012962481	0	49	0.0	-69.99	377.88	8.96	-61.03
CCC(NC(=O)NC1CC2CC1C[N@H+]2C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012962481	1	49	0.0	-72.04	375.29	9.49	-62.55
CCC(NC(=O)NC1CC2CC1C[N@@H+]2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012962482	0	49	0.0	-74.29	358.40	8.25	-66.04
CCC(NC(=O)NC1CC2CC1C[N@H+]2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012962482	1	49	0.0	-75.24	358.59	8.97	-66.27
COC1CCCC(C(NC(=O)NC2CC3CC2C[N@@H+]3C)C(=O)[O-])C1	REAL300012962483	0	53	0.0	-73.34	382.22	5.87	-67.47
COC1CCCC(C(NC(=O)NC2CC3CC2C[N@H+]3C)C(=O)[O-])C1	REAL300012962483	1	53	0.0	-80.63	382.84	6.43	-74.20
COC1(CC(NC(=O)NC2CC3CC2C[N@@H+]3C)C(=O)[O-])CCC1	REAL300012962484	0	50	0.0	-78.57	361.06	6.57	-72.00
COC1(CC(NC(=O)NC2CC3CC2C[N@H+]3C)C(=O)[O-])CCC1	REAL300012962484	1	50	0.0	-73.43	369.90	6.16	-67.27
C[N@@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012962485	0	47	0.0	-51.88	338.28	6.74	-45.14
C[N@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300012962485	1	47	0.0	-51.31	338.60	6.79	-44.52
C[N@@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012962486	0	49	0.0	-51.67	347.45	9.13	-42.54
C[N@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300012962486	1	49	0.0	-61.64	347.50	8.41	-53.23
C[C@H]1CC[C@@](NC(=O)NC2CC3CC2C[N@@H+]3C)(C(=O)[O-])CC1	REAL300012962487	0	49	0.0	-75.59	341.37	7.87	-67.72
C[C@H]1CC[C@@](NC(=O)NC2CC3CC2C[N@H+]3C)(C(=O)[O-])CC1	REAL300012962487	1	49	0.0	-81.99	335.10	7.76	-74.23
COC1=CC=CC(C(NC(=O)NC2CC3CC2C[N@@H+]3C)C(=O)[O-])=C1	REAL300012962488	0	47	0.0	-76.13	363.32	5.87	-70.26
COC1=CC=CC(C(NC(=O)NC2CC3CC2C[N@H+]3C)C(=O)[O-])=C1	REAL300012962488	1	47	0.0	-75.54	363.04	6.68	-68.86
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012962489	0	43	0.0	-76.83	347.36	7.78	-69.05
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300012962489	1	43	0.0	-73.89	343.90	7.75	-66.14
C[N@@H+]1CC2CC1CC2NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012962490	0	44	0.0	-61.06	331.75	7.95	-53.11
C[N@H+]1CC2CC1CC2NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300012962490	1	44	0.0	-61.76	324.68	7.66	-54.10
C[N@@H+]1CC2CC1CC2NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012962491	0	40	0.0	-73.51	310.37	6.97	-66.54
C[N@H+]1CC2CC1CC2NC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-]	REAL300012962491	1	40	0.0	-74.76	305.33	6.80	-67.96
COC1=CC=CC([C@H](NC(=O)NC2CC3CC2C[N@@H+]3C)C(=O)[O-])=C1	REAL300012962492	0	47	0.0	-79.15	357.59	6.50	-72.65
COC1=CC=CC([C@H](NC(=O)NC2CC3CC2C[N@H+]3C)C(=O)[O-])=C1	REAL300012962492	1	47	0.0	-75.84	365.79	6.09	-69.75
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC3CC2C[N@@H+]3C)C1	REAL300012962493	0	49	0.0	-74.89	364.45	7.41	-67.48
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CC3CC2C[N@H+]3C)C1	REAL300012962493	1	49	0.0	-74.71	361.65	7.23	-67.48
COC1=CC=CC(CC(NC(=O)NC2CC3CC2C[N@@H+]3C)C(=O)[O-])=C1	REAL300012962494	0	50	0.0	-77.21	379.90	7.45	-69.76
COC1=CC=CC(CC(NC(=O)NC2CC3CC2C[N@H+]3C)C(=O)[O-])=C1	REAL300012962494	1	50	0.0	-76.06	385.50	7.55	-68.51
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012962495	0	52	0.0	-77.38	355.33	8.34	-69.04
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300012962495	1	52	0.0	-76.26	354.85	7.59	-68.67
C[N@@H+]1CC2CC1CC2NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012962496	0	49	0.0	-75.67	375.86	8.95	-66.72
C[N@H+]1CC2CC1CC2NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300012962496	1	49	0.0	-69.73	378.57	8.44	-61.29
C[N@@H+]1CC2CC1CC2NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012962497	0	48	0.0	-79.40	369.77	8.76	-70.64
C[N@H+]1CC2CC1CC2NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300012962497	1	48	0.0	-77.22	370.09	7.98	-69.24
COC1CN(C(=O)NC2CC3CC2C[N@@H+]3C)C(C)(C(=O)[O-])C1	REAL300012962498	0	47	0.0	-84.97	340.80	6.57	-78.40
COC1CN(C(=O)NC2CC3CC2C[N@H+]3C)C(C)(C(=O)[O-])C1	REAL300012962498	1	47	0.0	-82.64	345.37	6.73	-75.91
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012962499	0	50	0.0	-70.83	364.60	6.82	-64.01
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300012962499	1	50	0.0	-71.30	367.49	6.24	-65.06
C=C(Cl)CC(NC(=O)NC1CC2CC1C[N@H+]2C)C(=O)[O-]	REAL300012962500	0	40	0.0	-76.45	326.65	6.36	-70.09
C=C(Cl)CC(NC(=O)NC1CC2CC1C[N@@H+]2C)C(=O)[O-]	REAL300012962500	1	40	0.0	-70.41	326.16	6.46	-63.95
C[N@@H+]1CC2CC1CC2NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012962501	0	49	0.0	-76.39	365.54	8.50	-67.89
C[N@H+]1CC2CC1CC2NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012962501	1	49	0.0	-70.26	368.26	7.99	-62.27
C[N@@H+]1CC2CC1CC2NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012962502	0	40	0.0	-73.40	304.76	6.79	-66.61
C[N@H+]1CC2CC1CC2NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300012962502	1	40	0.0	-77.13	304.01	6.80	-70.33
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012962503	0	50	0.0	-77.55	368.85	6.12	-71.43
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300012962503	1	50	0.0	-73.13	364.44	6.05	-67.08
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012962504	0	47	0.0	-77.21	347.62	5.29	-71.92
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300012962504	1	47	0.0	-75.86	344.75	4.53	-71.33
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012962505	0	43	0.0	-75.79	333.54	7.39	-68.40
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300012962505	1	43	0.0	-74.28	333.35	6.66	-67.62
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012962506	0	46	0.0	-72.90	372.85	8.33	-64.57
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300012962506	1	46	0.0	-75.97	367.12	8.28	-67.69
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012962507	0	42	0.0	-73.82	342.61	5.42	-68.40
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300012962507	1	42	0.0	-72.34	345.21	4.94	-67.40
CC(C)CCCC(NC(=O)NC1CC2CC1C[N@@H+]2C)C(=O)[O-]	REAL300012962508	0	51	0.0	-75.77	380.00	8.12	-67.65
CC(C)CCCC(NC(=O)NC1CC2CC1C[N@H+]2C)C(=O)[O-]	REAL300012962508	1	51	0.0	-75.86	379.69	8.09	-67.77
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012962509	0	49	0.0	-80.56	385.63	8.69	-71.87
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300012962509	1	49	0.0	-75.26	388.14	8.21	-67.05
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012962510	0	47	0.0	-71.74	351.77	6.10	-65.64
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300012962510	1	47	0.0	-71.85	346.12	6.00	-65.85
C[N@@H+]1CC2CC1CC2NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012962511	0	46	0.0	-72.08	362.41	8.32	-63.76
C[N@H+]1CC2CC1CC2NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012962511	1	46	0.0	-71.39	356.55	8.28	-63.11
C[N@@H+]1CC2CC1CC2NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012962512	0	46	0.0	-70.93	364.11	7.82	-63.11
C[N@H+]1CC2CC1CC2NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300012962512	1	46	0.0	-76.51	356.49	8.21	-68.30
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012962513	0	49	0.0	-79.48	373.37	9.50	-69.98
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300012962513	1	49	0.0	-78.18	374.67	8.71	-69.47
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012962514	0	47	0.0	-79.66	376.35	7.23	-72.43
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300012962514	1	47	0.0	-75.96	371.51	7.22	-68.74
C[N@@H+]1CC2CC1CC2NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012962515	0	46	0.0	-74.58	341.56	8.09	-66.49
C[N@H+]1CC2CC1CC2NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300012962515	1	46	0.0	-73.82	341.92	8.10	-65.72
C[N@@H+]1CC2CC1CC2NC(=O)NC(C)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012962516	0	46	0.0	-74.23	362.85	8.72	-65.51
C[N@H+]1CC2CC1CC2NC(=O)NC(C)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012962516	1	46	0.0	-73.45	363.17	7.93	-65.52
C[N@@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012962517	0	39	0.0	-71.74	297.42	7.12	-64.62
C[N@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012962517	1	39	0.0	-67.64	312.83	7.03	-60.61
C[N@@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012962518	0	39	0.0	-71.74	297.42	7.12	-64.62
C[N@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC(F)(F)F	REAL300012962518	1	39	0.0	-67.64	312.83	7.03	-60.61
C[N@@H+]1CC2CC1CC2NC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012962519	0	52	0.0	-62.02	386.42	5.00	-57.02
C[N@H+]1CC2CC1CC2NC(=O)N(CCN1CCOCC1)CC(=O)[O-]	REAL300012962519	1	52	0.0	-61.33	378.08	5.45	-55.88
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3CC2C[N@@H+]3C)CC1	REAL300012962520	1	56	0.0	-61.02	403.28	5.32	-55.70
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3CC2C[N@H+]3C)CC1	REAL300012962520	1	56	0.0	-61.77	411.61	4.87	-56.90
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC2CC1C[N@H+]2C	REAL300012962521	0	47	0.0	-45.69	345.25	9.96	-35.73
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CC2CC1C[N@@H+]2C	REAL300012962521	1	47	0.0	-58.75	352.56	9.69	-49.06
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC3CC2C[N@@H+]3C)[C@H]1C(=O)[O-]	REAL300012962522	0	50	0.0	-57.20	360.64	10.33	-46.87
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CC3CC2C[N@H+]3C)[C@H]1C(=O)[O-]	REAL300012962522	1	50	0.0	-65.49	360.07	9.55	-55.94
C[N@@H+]1CC2CC1CC2NC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012962523	0	48	0.0	-73.14	353.33	8.45	-64.69
C[N@H+]1CC2CC1CC2NC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300012962523	1	48	0.0	-72.01	353.35	7.74	-64.27
C[N@@H+]1CC2CC1CC2NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012962524	0	43	0.0	-72.91	333.57	7.39	-65.52
C[N@H+]1CC2CC1CC2NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300012962524	1	43	0.0	-73.32	328.13	7.21	-66.11
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012962525	0	46	0.0	-71.70	372.29	8.40	-63.30
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012962525	1	46	0.0	-69.19	375.20	7.80	-61.39
C[N@@H+]1CC2CC1CC2NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012962526	0	48	0.0	-77.59	373.67	7.32	-70.27
C[N@H+]1CC2CC1CC2NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300012962526	1	48	0.0	-73.56	376.32	6.82	-66.74
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012962527	0	42	0.0	-74.81	342.34	5.32	-69.49
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300012962527	1	42	0.0	-75.25	345.23	4.74	-70.51
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300012962528	0	46	0.0	-76.08	374.44	8.73	-67.35
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300012962528	1	46	0.0	-70.17	372.79	7.85	-62.32
C[N@@H+]1CC2CC1CC2NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012962529	0	43	0.0	-71.97	362.10	7.06	-64.91
C[N@H+]1CC2CC1CC2NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300012962529	1	43	0.0	-72.55	356.42	6.97	-65.58
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012962530	0	40	0.0	-69.51	345.83	7.07	-62.44
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CSC(Br)=C1	REAL300012962530	1	40	0.0	-70.06	346.40	6.27	-63.79
C[N@@H+]1CC2CC1CC2NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012962531	0	43	0.0	-85.00	328.54	3.91	-81.09
C[N@H+]1CC2CC1CC2NC(=O)N1CCS(=O)(=O)CC1C(=O)[O-]	REAL300012962531	1	43	0.0	-91.59	326.64	4.47	-87.12
CN1CC(C(=O)[O-])N(C(=O)NC2CC3CC2C[N@@H+]3C)CC1=O	REAL300012962532	0	44	0.0	-75.97	325.15	6.51	-69.46
CN1CC(C(=O)[O-])N(C(=O)NC2CC3CC2C[N@H+]3C)CC1=O	REAL300012962532	1	44	0.0	-76.00	324.83	6.51	-69.49
C[N@@H+]1CC2CC1CC2NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012962533	0	43	0.0	-73.70	336.29	6.80	-66.90
C[N@H+]1CC2CC1CC2NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300012962533	1	43	0.0	-74.02	333.21	6.63	-67.39
C[N@@H+]1CC2CC1CC2NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012962534	0	46	0.0	-76.33	347.52	6.69	-69.64
C[N@H+]1CC2CC1CC2NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300012962534	1	46	0.0	-71.89	350.23	6.16	-65.73
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC2CC1C[N@@H+]2C)C(=O)[O-]	REAL300012962535	0	52	0.0	-78.01	372.92	6.40	-71.61
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CC2CC1C[N@H+]2C)C(=O)[O-]	REAL300012962535	1	52	0.0	-74.99	384.16	5.99	-69.00
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012962536	0	49	0.0	-76.51	343.12	7.71	-68.80
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300012962536	1	49	0.0	-76.16	337.44	7.65	-68.51
CN(C(=O)NC1CC2CC1C[N@@H+]2C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012962537	0	49	0.0	-72.75	366.47	9.48	-63.27
CN(C(=O)NC1CC2CC1C[N@H+]2C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012962537	1	49	0.0	-76.52	365.21	10.34	-66.18
CC1CCC(NC(=O)NC2CC3CC2C[N@@H+]3C)(C(=O)[O-])C2=CC=CC=C21	REAL300012962538	0	53	0.0	-75.73	376.77	9.55	-66.18
CC1CCC(NC(=O)NC2CC3CC2C[N@H+]3C)(C(=O)[O-])C2=CC=CC=C21	REAL300012962538	1	53	0.0	-76.91	384.97	9.10	-67.81
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC2CC1C[N@@H+]2C)C(=O)[O-]	REAL300012962539	0	52	0.0	-72.02	375.89	6.42	-65.60
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CC2CC1C[N@H+]2C)C(=O)[O-]	REAL300012962539	1	52	0.0	-73.05	383.95	6.00	-67.05
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012962540	0	57	0.0	-87.62	427.07	9.43	-78.19
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC(COCC2=CC=CC=C2)C1	REAL300012962540	1	57	0.0	-86.65	433.34	9.54	-77.11
C[N@@H+]1CC2CC1CC2NC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012962541	0	51	0.0	-57.77	376.21	10.75	-47.02
C[N@H+]1CC2CC1CC2NC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300012962541	1	51	0.0	-67.00	376.04	10.03	-56.97
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012962542	0	47	0.0	-84.10	365.92	7.37	-76.73
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300012962542	1	47	0.0	-84.51	360.11	7.30	-77.21
CC(C1=CC=CC=C1)C(NC(=O)NC1CC2CC1C[N@@H+]2C)C(=O)[O-]	REAL300012962543	0	49	0.0	-72.83	369.95	7.85	-64.98
CC(C1=CC=CC=C1)C(NC(=O)NC1CC2CC1C[N@H+]2C)C(=O)[O-]	REAL300012962543	1	49	0.0	-71.64	371.23	8.66	-62.98
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012962544	0	50	0.0	-71.89	370.04	8.44	-63.45
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012962544	1	50	0.0	-72.68	372.94	7.86	-64.82
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012962545	0	56	0.0	-75.65	390.68	7.30	-68.35
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300012962545	1	56	0.0	-74.93	392.93	7.52	-67.41
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012962546	0	49	0.0	-73.42	356.29	7.69	-65.73
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300012962546	1	49	0.0	-76.38	347.53	7.55	-68.83
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012962547	0	50	0.0	-79.52	371.01	6.43	-73.09
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300012962547	1	50	0.0	-80.83	366.02	6.34	-74.49
C[N@@H+]1CC2CC1CC2NC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012962548	0	50	0.0	-43.55	339.14	8.75	-34.80
C[N@H+]1CC2CC1CC2NC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300012962548	1	50	0.0	-56.76	346.23	8.41	-48.35
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012962549	0	50	0.0	-76.53	341.66	6.06	-70.47
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300012962549	1	50	0.0	-76.70	341.54	6.17	-70.53
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012962550	0	49	0.0	-74.46	394.20	9.52	-64.94
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300012962550	1	49	0.0	-74.53	396.89	9.01	-65.52
CC1=CC=CC2=C1CCN(C(=O)NC1CC3CC1C[N@H+]3C)C2C(=O)[O-]	REAL300012962551	0	50	0.0	-91.75	361.59	10.73	-81.02
CC1=CC=CC2=C1CCN(C(=O)NC1CC3CC1C[N@@H+]3C)C2C(=O)[O-]	REAL300012962551	1	50	0.0	-61.61	360.09	10.05	-51.56
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012962552	0	50	0.0	-71.89	370.04	8.44	-63.45
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300012962552	1	50	0.0	-72.68	372.94	7.86	-64.82
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012962553	0	46	0.0	-72.25	361.57	8.33	-63.92
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012962553	1	46	0.0	-70.99	362.00	7.66	-63.33
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012962554	0	40	0.0	-75.08	307.44	5.22	-69.86
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300012962554	1	40	0.0	-74.19	310.01	5.42	-68.77
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012962555	0	43	0.0	-70.51	336.76	7.12	-63.39
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300012962555	1	43	0.0	-71.91	331.53	6.26	-65.65
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012962556	0	39	0.0	-66.52	313.52	5.93	-60.59
C[N@H+]1CC2CC1CC2NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300012962556	1	39	0.0	-67.18	313.35	5.21	-61.97
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012962557	0	47	0.0	-71.55	354.31	4.78	-66.77
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012962557	1	47	0.0	-70.58	342.30	5.71	-64.87
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012962558	0	43	0.0	-77.13	347.10	7.33	-69.80
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300012962558	1	43	0.0	-71.27	350.66	6.80	-64.47
COCC(NC(=O)NC1CC2CC1C[N@@H+]2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012962559	0	50	0.0	-73.00	374.60	6.57	-66.43
COCC(NC(=O)NC1CC2CC1C[N@H+]2C)(C(=O)[O-])C1=CC=CC=C1	REAL300012962559	1	50	0.0	-73.48	374.78	7.29	-66.19
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC2CC1C[N@@H+]2C	REAL300012962560	0	49	0.0	-54.11	363.97	10.28	-43.83
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CC2CC1C[N@H+]2C	REAL300012962560	1	49	0.0	-61.77	358.83	9.80	-51.97
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012962561	0	46	0.0	-71.03	377.05	8.94	-62.09
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300012962561	1	46	0.0	-71.05	377.60	8.92	-62.13
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012962562	0	50	0.0	-76.37	395.01	7.90	-68.47
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300012962562	1	50	0.0	-75.98	394.82	7.17	-68.81
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012962563	0	52	0.0	-76.90	377.92	8.44	-68.46
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300012962563	1	52	0.0	-72.65	377.55	7.78	-64.87
C[N@@H+]1CC2CC1CC2NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012962564	0	49	0.0	-72.65	380.85	8.50	-64.15
C[N@H+]1CC2CC1CC2NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012962564	1	49	0.0	-76.91	372.53	8.94	-67.97
C[N@@H+]1CC2CC1CC2NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012962565	0	49	0.0	-72.54	381.57	8.51	-64.03
C[N@H+]1CC2CC1CC2NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300012962565	1	49	0.0	-72.31	372.88	8.98	-63.33
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012962566	0	50	0.0	-73.31	362.07	7.59	-65.72
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300012962566	1	50	0.0	-77.15	351.62	7.72	-69.43
C[N@@H+]1CC2CC1CC2NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012962567	0	52	0.0	-72.01	377.77	8.52	-63.49
C[N@H+]1CC2CC1CC2NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300012962567	1	52	0.0	-73.17	377.76	7.72	-65.45
C[N@@H+]1CC2CC1CC2NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012962568	0	52	0.0	-76.41	377.72	8.50	-67.91
C[N@H+]1CC2CC1CC2NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300012962568	1	52	0.0	-73.97	378.00	7.71	-66.26
C[N@@H+]1CC2CC1CC2NC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012962569	0	50	0.0	-56.11	352.42	9.03	-47.08
C[N@H+]1CC2CC1CC2NC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300012962569	1	50	0.0	-60.42	360.36	8.33	-52.09
C[N@@H+]1CC2CC1CC2NC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012962570	0	50	0.0	-82.09	357.51	8.18	-73.91
C[N@H+]1CC2CC1CC2NC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300012962570	1	50	0.0	-80.43	356.61	8.41	-72.02
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012962571	0	50	0.0	-77.36	397.90	7.94	-69.42
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=C(OCC(F)F)C=C1	REAL300012962571	1	50	0.0	-76.90	400.58	7.43	-69.47
COC1=CC=C(CC(NC(=O)NC2CC3CC2C[N@@H+]3C)C(=O)[O-])C=C1	REAL300012962572	0	50	0.0	-73.65	384.46	6.84	-66.81
COC1=CC=C(CC(NC(=O)NC2CC3CC2C[N@H+]3C)C(=O)[O-])C=C1	REAL300012962572	1	50	0.0	-74.52	385.20	7.63	-66.89
C=CCSCC(NC(=O)NC1CC2CC1C[N@H+]2C)C(=O)[O-]	REAL300012962573	0	44	0.0	-72.38	355.37	7.11	-65.27
C=CCSCC(NC(=O)NC1CC2CC1C[N@@H+]2C)C(=O)[O-]	REAL300012962573	1	44	0.0	-70.85	355.18	6.38	-64.47
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012962574	0	47	0.0	-72.73	376.58	8.72	-64.01
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300012962574	1	47	0.0	-72.28	376.34	8.00	-64.28
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012962575	0	50	0.0	-86.88	395.45	8.30	-78.58
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300012962575	1	50	0.0	-86.89	398.34	7.73	-79.16
COC1=CC=C2NC=C(CC(NC(=O)NC3CC4CC3C[N@@H+]4C)C(=O)[O-])C2=C1	REAL300012962576	0	54	0.0	-74.65	416.38	7.12	-67.53
COC1=CC=C2NC=C(CC(NC(=O)NC3CC4CC3C[N@H+]4C)C(=O)[O-])C2=C1	REAL300012962576	1	54	0.0	-78.10	413.79	7.63	-70.47
COC1(C(NC(=O)NC2CC3CC2C[N@@H+]3C)C(=O)[O-])CCC1	REAL300012962577	0	47	0.0	-75.27	340.09	5.02	-70.25
COC1(C(NC(=O)NC2CC3CC2C[N@H+]3C)C(=O)[O-])CCC1	REAL300012962577	1	47	0.0	-69.65	346.82	4.41	-65.24
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012962578	0	49	0.0	-75.10	362.09	7.73	-67.37
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300012962578	1	49	0.0	-73.65	352.50	8.12	-65.53
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012962579	0	50	0.0	-77.40	358.87	9.25	-68.15
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300012962579	1	50	0.0	-81.28	358.84	9.26	-72.02
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012962580	0	43	0.0	-76.71	322.61	6.56	-70.15
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300012962580	1	43	0.0	-75.89	328.89	6.66	-69.23
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012962582	0	55	0.0	-72.97	410.01	9.64	-63.33
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300012962582	1	55	0.0	-72.84	412.43	9.21	-63.63
CC(C)C1=CC=C(C(NC(=O)NC2CC3CC2C[N@@H+]3C)C(=O)[O-])C=C1	REAL300012962583	0	52	0.0	-72.84	396.45	8.82	-64.02
CC(C)C1=CC=C(C(NC(=O)NC2CC3CC2C[N@H+]3C)C(=O)[O-])C=C1	REAL300012962583	1	52	0.0	-73.02	394.04	9.25	-63.77
CCOC1=CC=C(C(NC(=O)NC2CC3CC2C[N@@H+]3C)C(=O)[O-])C=C1	REAL300012962584	0	50	0.0	-73.00	387.81	7.03	-65.97
CCOC1=CC=C(C(NC(=O)NC2CC3CC2C[N@H+]3C)C(=O)[O-])C=C1	REAL300012962584	1	50	0.0	-72.67	384.91	7.62	-65.05
C[N@@H+]1CC2CC1CC2NC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012962585	0	50	0.0	-79.09	355.19	9.25	-69.84
C[N@H+]1CC2CC1CC2NC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300012962585	1	50	0.0	-88.66	347.03	9.91	-78.75
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012962586	0	50	0.0	-73.56	370.61	8.37	-65.19
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300012962586	1	50	0.0	-75.19	376.34	8.41	-66.78
C[N@@H+]1CC2CC1CC2NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012962587	0	50	0.0	-82.29	376.21	8.34	-73.95
C[N@H+]1CC2CC1CC2NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300012962587	1	50	0.0	-78.50	376.02	7.62	-70.88
C[N@@H+]1CC2CC1CC2NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012962588	0	46	0.0	-81.06	370.02	8.24	-72.82
C[N@H+]1CC2CC1CC2NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300012962588	1	46	0.0	-81.73	364.35	8.14	-73.59
C[N@@H+]1CC2CC1CC2NC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012962589	0	47	0.0	-60.29	343.99	7.86	-52.43
C[N@H+]1CC2CC1CC2NC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300012962589	1	47	0.0	-56.34	337.94	8.49	-47.85
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012962590	0	47	0.0	-71.55	354.31	4.78	-66.77
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300012962590	1	47	0.0	-70.58	342.30	5.71	-64.87
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012962591	0	46	0.0	-73.20	377.29	8.87	-64.33
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300012962591	1	46	0.0	-71.01	376.88	8.21	-62.80
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC3CC2C[N@@H+]3C)C1	REAL300012962592	0	44	0.0	-77.63	339.97	8.35	-69.28
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC3CC2C[N@H+]3C)C1	REAL300012962592	1	44	0.0	-80.50	340.04	8.35	-72.15
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012962593	0	47	0.0	-80.18	335.63	7.82	-72.36
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300012962593	1	47	0.0	-75.14	329.63	7.70	-67.44
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012962594	0	47	0.0	-75.99	341.32	6.81	-69.18
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300012962594	1	47	0.0	-80.31	341.58	7.57	-72.74
CN(C(=O)NC1CC2CC1C[N@@H+]2C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012962595	0	49	0.0	-70.26	359.32	10.20	-60.06
CN(C(=O)NC1CC2CC1C[N@H+]2C)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012962595	1	49	0.0	-70.85	366.65	10.30	-60.55
C[N@@H+]1CC2CC1CC2NC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012962596	0	53	0.0	-59.75	372.29	8.87	-50.88
C[N@H+]1CC2CC1CC2NC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300012962596	1	53	0.0	-56.34	368.41	9.44	-46.90
C[N@@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012962597	0	46	0.0	-49.88	348.41	9.75	-40.13
C[N@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300012962597	1	46	0.0	-51.00	354.85	10.10	-40.90
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012962598	0	53	0.0	-73.28	407.73	10.80	-62.48
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300012962598	1	53	0.0	-73.49	410.41	10.29	-63.20
C[N@@H+]1CC2CC1CC2NC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012962599	0	47	0.0	-60.67	363.24	9.19	-51.48
C[N@H+]1CC2CC1CC2NC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300012962599	1	47	0.0	-58.42	354.79	9.61	-48.81
C[N@@H+]1CC2CC1CC2NC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012962600	0	49	0.0	-73.64	380.43	9.09	-64.55
C[N@H+]1CC2CC1CC2NC(=O)NC(C)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300012962600	1	49	0.0	-68.85	382.97	8.58	-60.27
C[N@@H+]1CC2CC1CC2NC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012962601	0	43	0.0	-77.04	320.82	7.72	-69.32
C[N@H+]1CC2CC1CC2NC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300012962601	1	43	0.0	-83.56	319.08	8.33	-75.23
C[N@@H+]1CC2CC1CC2NC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012962602	0	40	0.0	-87.67	309.06	6.87	-80.80
C[N@H+]1CC2CC1CC2NC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300012962602	1	40	0.0	-83.80	304.39	6.78	-77.02
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012962603	0	46	0.0	-72.25	361.57	8.33	-63.92
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300012962603	1	46	0.0	-70.99	362.00	7.66	-63.33
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012962604	0	43	0.0	-72.27	346.63	7.23	-65.04
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012962604	1	43	0.0	-77.21	340.38	7.09	-70.12
C[N@@H+]1CC2CC1CC2NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012962605	0	43	0.0	-81.78	325.98	7.92	-73.86
C[N@H+]1CC2CC1CC2NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300012962605	1	43	0.0	-76.02	325.83	7.19	-68.83
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012962606	0	47	0.0	-81.41	360.79	7.97	-73.44
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300012962606	1	47	0.0	-78.23	355.30	7.87	-70.36
C[N@@H+]1CC2CC1CC2NC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012962607	0	51	0.0	-77.20	386.42	8.99	-68.21
C[N@H+]1CC2CC1CC2NC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300012962607	1	51	0.0	-78.22	383.98	8.82	-69.40
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012962608	0	43	0.0	-72.27	346.63	7.23	-65.04
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300012962608	1	43	0.0	-77.21	340.38	7.09	-70.12
C[N@@H+]1CC2CC1CC2NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012962609	0	47	0.0	-81.79	334.71	7.79	-74.00
C[N@H+]1CC2CC1CC2NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300012962609	1	47	0.0	-82.70	327.83	8.12	-74.58
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012962610	0	47	0.0	-74.77	348.12	5.38	-69.39
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300012962610	1	47	0.0	-76.16	348.19	5.06	-71.10
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012962611	0	43	0.0	-69.19	354.84	8.02	-61.17
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300012962611	1	43	0.0	-72.81	348.73	7.91	-64.90
C[N@@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012962612	0	47	0.0	-75.32	351.74	8.49	-66.83
C[N@H+]1CC2CC1CC2NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300012962612	1	47	0.0	-76.57	347.03	8.44	-68.13
C[N@@H+]1CC2CC1CC2NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012962613	0	46	0.0	-79.05	332.85	8.03	-71.02
C[N@H+]1CC2CC1CC2NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300012962613	1	46	0.0	-73.98	338.62	7.35	-66.63
C[N@@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012962614	0	57	0.0	-75.38	388.59	8.62	-66.76
C[N@H+]1CC2CC1CC2NC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300012962614	1	57	0.0	-74.48	391.33	8.80	-65.68
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012962615	0	49	0.0	-78.90	381.17	8.67	-70.23
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300012962615	1	49	0.0	-76.17	381.22	7.87	-68.30
C[N@@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012962616	0	43	0.0	-62.20	338.75	7.67	-54.53
C[N@H+]1CC2CC1CC2NC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300012962616	1	43	0.0	-61.13	330.50	8.14	-52.99
C[N@@H+]1CC2CC1CC2NC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012962617	0	54	0.0	-58.84	376.74	7.45	-51.39
C[N@H+]1CC2CC1CC2NC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300012962617	1	54	0.0	-77.93	370.61	8.23	-69.70
C[N@@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012962618	0	45	0.0	-78.02	367.87	6.90	-71.12
C[N@H+]1CC2CC1CC2NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300012962618	1	45	0.0	-72.81	367.44	6.24	-66.57
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC3CC2C[N@@H+]3C)C1	REAL300012962619	0	47	0.0	-79.34	351.77	6.36	-72.98
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CC3CC2C[N@H+]3C)C1	REAL300012962619	1	47	0.0	-74.80	353.15	6.64	-68.16
COC[C@@H](CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])OC	REAL300012962723	0	54	0.0	-64.61	417.16	3.54	-61.07
CCC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N=C1	REAL300012963175	0	55	0.0	-67.88	429.08	6.97	-60.91
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C3CCCC3=N2)CC1	REAL300012963453	0	56	0.0	-64.14	431.66	7.44	-56.70
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC23CCC3)CC1	REAL300012963816	0	60	0.0	-62.50	438.58	8.68	-53.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3(C2)CCOC3)CC1	REAL300012964061	0	58	0.0	-59.18	429.55	6.03	-53.15
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC(OC(C)(C)C)C2)CC1	REAL300012964645	0	63	0.0	-61.92	470.15	7.57	-54.35
C[C@@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC(F)=C1	REAL300012964905	0	53	0.0	-62.79	415.10	8.32	-54.47
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C3CCCCC3=C2)CC1	REAL300012965478	0	60	0.0	-63.54	453.88	9.91	-53.63
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCCC2(C)C)CC1	REAL300012965739	0	62	0.0	-62.50	439.98	8.41	-54.09
C[C@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC(F)=C1	REAL300012965985	0	53	0.0	-65.09	415.11	8.32	-56.77
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CON=C2C2CCC2)CC1	REAL300012966428	0	56	0.0	-65.15	435.88	7.49	-57.66
C[C@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300012966790	0	58	0.0	-64.33	445.45	8.66	-55.67
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCCCCCCC2)CC1	REAL300012967373	0	65	0.0	-58.73	451.35	9.26	-49.47
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2OCCCC2(C)C)CC1	REAL300012967644	0	60	0.0	-62.55	436.03	6.29	-56.26
CCCCC1CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012967993	0	62	0.0	-62.33	458.36	9.34	-52.99
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C(F)F	REAL300012968197	0	49	0.0	-59.91	377.85	5.90	-54.01
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=C(C3CC3)OC=N2)CC1	REAL300012968402	0	53	0.0	-63.92	419.20	4.36	-59.56
CC(C)CC1CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300012968644	0	62	0.0	-62.28	455.14	9.10	-53.18
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC=C2CCSCC2)CC1	REAL300012969071	0	55	0.0	-62.40	423.72	7.96	-54.44
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCCC(F)(F)F)CC1	REAL300012969321	0	52	0.0	-59.27	408.68	6.87	-52.40
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC(C3CC3)C2)CC1	REAL300012969927	0	57	0.0	-62.66	432.68	8.65	-54.01
CCC1=NOC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012970137	0	51	0.0	-63.16	404.24	3.64	-59.52
COCC1=NOC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012970408	0	55	0.0	-62.04	432.70	2.53	-59.51
CSCC1=NOC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012970721	0	52	0.0	-66.13	427.47	4.10	-62.03
CCC1=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=NO1	REAL300012970965	0	51	0.0	-66.14	404.24	3.68	-62.46
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CCC(C)(CC2)CO3)CC1	REAL300012971226	0	61	0.0	-59.38	439.60	6.81	-52.57
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CC(C)(C)C2)CC1	REAL300012971751	0	59	0.0	-62.34	430.44	8.02	-54.32
COC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCOC1	REAL300012972253	0	55	0.0	-63.01	413.23	3.38	-59.63
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=NC(C3CC3)=NO2)CC1	REAL300012972526	0	55	0.0	-65.59	435.64	5.29	-60.30
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC(C(C)(C)C)=NO2)CC1	REAL300012972813	0	57	0.0	-63.71	444.47	4.65	-59.06
COC(C1CC1)C(F)(F)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012973394	0	57	0.0	-66.65	443.57	6.62	-60.03
CC(C)=C(Br)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012973703	0	50	0.0	-57.69	396.13	6.67	-51.02
CCC1=NOC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012973964	0	54	0.0	-60.38	420.53	4.16	-56.22
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(C3CC3)C=C2)CC1	REAL300012975057	0	57	0.0	-59.23	435.19	9.29	-49.94
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC=CBr)CC1	REAL300012975579	0	44	0.0	-57.29	360.34	5.44	-51.85
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC(C(F)(F)F)=CO2)CC1	REAL300012975875	0	50	0.0	-62.96	412.75	6.62	-56.34
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23COC(C2)CCC3)CC1	REAL300012976708	0	58	0.0	-57.98	416.91	6.05	-51.93
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC(C(F)F)C2)CC1	REAL300012976953	0	53	0.0	-63.37	413.40	7.37	-56.00
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CC(C2)C3)CC1	REAL300012977140	0	51	0.0	-59.28	381.43	6.75	-52.53
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2OCCCC2(C)C)CC1	REAL300012977467	0	63	0.0	-62.60	456.88	7.12	-55.48
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CCC(C)(C2)OC3)CC1	REAL300012977835	0	58	0.0	-59.37	425.44	6.14	-53.23
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC(F)=CC(F)=C1	REAL300012978350	0	56	0.0	-58.01	435.88	8.66	-49.35
COCC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=NO1	REAL300012978606	0	53	0.0	-62.99	421.77	4.61	-58.38
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2C[C@@H]3CCCC[C@H]3O2)CC1	REAL300012979382	0	61	0.0	-62.51	448.73	7.01	-55.50
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C(C)(F)F)CC2)CC1	REAL300012979634	0	53	0.0	-65.46	409.67	7.41	-58.05
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(F)C2=CC=CC=C2)CC1	REAL300012979880	0	53	0.0	-62.19	412.27	8.00	-54.19
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC(C(F)(F)F)C2)CC1	REAL300012980156	0	53	0.0	-61.61	417.91	7.44	-54.17
CCS(=O)(=O)N(C)CCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012980460	0	57	0.0	-65.98	445.84	3.10	-62.88
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2CCOC3=CC=C(O)C=C32)CC1	REAL300012981004	0	56	0.0	-65.33	420.43	3.73	-61.60
C[C@@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC2=CN=CC=C21	REAL300012981625	0	58	0.0	-64.94	445.45	8.65	-56.29
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2C3CC4CC2CC(O)(C4)C3)CC1	REAL300012983367	0	62	0.0	-67.53	440.80	5.88	-61.65
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CN=C2CCCCN12	REAL300012983855	0	60	0.0	-70.79	447.78	8.18	-62.61
COC1=NSC(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300012984157	0	53	0.0	-62.15	427.65	4.15	-58.00
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CCOC3=CC=C(O)C=C32)CC1	REAL300012984467	0	56	0.0	-61.21	420.43	3.72	-57.49
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3C2C3(F)F)CC1	REAL300012986612	0	51	0.0	-58.22	390.90	6.92	-51.30
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3(CC3(F)F)C2)CC1	REAL300012987195	0	54	0.0	-60.18	415.10	7.76	-52.42
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC(F)(F)CC2)CC1	REAL300012987502	0	59	0.0	-62.30	434.43	8.46	-53.84
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC3C2C3(F)F)CC1	REAL300012987794	0	54	0.0	-67.05	410.43	7.79	-59.26
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC23CC(C)(C)C3)CC1	REAL300012988029	0	57	0.0	-62.79	431.34	8.33	-54.46
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC=CC=C2C(C)(C)C)CC1	REAL300012988306	0	61	0.0	-68.14	448.52	8.07	-60.07
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	REAL300012988566	0	56	0.0	-64.60	421.06	6.47	-58.13
CN1N=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1Cl	REAL300012988840	0	50	0.0	-62.93	410.21	5.45	-57.48
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3(CC3F)C2)CC1	REAL300012989084	0	54	0.0	-65.61	418.63	7.95	-57.66
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC(C)(C)OC(C)(C)C2)CC1	REAL300012989362	0	63	0.0	-62.45	459.39	7.39	-55.06
CC(C)C[C@H](NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989718	0	53	0.0	-67.93	378.63	7.63	-60.30
CC(C)C[C@H](NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989718	1	53	0.0	-66.48	382.64	7.14	-59.34
C=CCOCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989719	0	52	0.0	-71.30	387.38	6.10	-65.20
C=CCOCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989719	1	52	0.0	-69.77	387.24	6.13	-63.64
C=CC(C)C(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989720	0	51	0.0	-69.88	365.57	7.22	-62.66
C=CC(C)C(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989720	1	51	0.0	-69.93	369.60	6.68	-63.25
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012989721	0	55	0.0	-69.50	388.70	5.64	-63.86
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012989721	1	55	0.0	-72.09	385.25	6.08	-66.01
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012989722	0	51	0.0	-63.56	389.60	8.49	-55.07
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300012989722	1	51	0.0	-64.90	393.61	7.96	-56.94
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012989723	0	51	0.0	-63.46	399.49	8.94	-54.52
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300012989723	1	51	0.0	-64.18	402.90	8.45	-55.73
COC1CCN(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(C(=O)[O-])C1	REAL300012989724	0	55	0.0	-81.57	381.41	8.61	-72.96
COC1CCN(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(C(=O)[O-])C1	REAL300012989724	1	55	0.0	-77.55	386.79	7.72	-69.83
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012989725	0	55	0.0	-68.06	388.75	6.41	-61.65
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300012989725	1	55	0.0	-64.79	388.35	5.59	-59.20
CC1CCN(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(C(=O)[O-])C1	REAL300012989726	0	54	0.0	-80.98	365.18	9.86	-71.12
CC1CCN(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(C(=O)[O-])C1	REAL300012989726	1	54	0.0	-76.48	375.18	9.29	-67.19
CC1=CC(C(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])=CC=C1F	REAL300012989727	0	54	0.0	-65.77	403.04	9.11	-56.66
CC1=CC(C(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])=CC=C1F	REAL300012989727	1	54	0.0	-64.64	407.03	8.58	-56.06
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012989728	0	56	0.0	-68.79	412.86	8.22	-60.57
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300012989728	1	56	0.0	-68.91	412.61	8.29	-60.62
CC1=CC(C)=CC(C(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])=C1	REAL300012989729	0	57	0.0	-69.44	419.12	9.73	-59.71
CC1=CC(C)=CC(C(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])=C1	REAL300012989729	1	57	0.0	-70.49	419.12	9.73	-60.76
CC1=CC=C(C(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])C=C1C	REAL300012989730	0	57	0.0	-69.47	414.71	9.62	-59.85
CC1=CC=C(C(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])C=C1C	REAL300012989730	1	57	0.0	-69.16	419.36	9.04	-60.12
COC1=CC=C(C(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])C=C1Cl	REAL300012989731	0	55	0.0	-65.84	421.82	8.27	-57.57
COC1=CC=C(C(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])C=C1Cl	REAL300012989731	1	55	0.0	-69.96	426.46	7.69	-62.27
CC1=CC=CC(C(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])=C1C	REAL300012989732	0	57	0.0	-70.56	409.67	9.50	-61.06
CC1=CC=CC(C(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])=C1C	REAL300012989732	1	57	0.0	-68.31	411.63	8.87	-59.44
COC1=CC=C(C(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])C=C1F	REAL300012989733	0	55	0.0	-66.06	412.01	7.79	-58.27
COC1=CC=C(C(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])C=C1F	REAL300012989733	1	55	0.0	-70.53	416.41	7.29	-63.24
CC(C(=O)[O-])N(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C1CCC1	REAL300012989734	0	54	0.0	-53.00	367.49	9.27	-43.73
CC(C(=O)[O-])N(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C1CCC1	REAL300012989734	1	54	0.0	-54.72	372.53	9.16	-45.56
CCCN(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(COC)C(=O)[O-]	REAL300012989735	0	57	0.0	-68.10	398.69	8.53	-59.57
CCCN(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(COC)C(=O)[O-]	REAL300012989735	1	57	0.0	-72.17	406.09	9.29	-62.88
CCCN(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(CC)C(=O)[O-]	REAL300012989736	0	56	0.0	-66.73	386.97	9.84	-56.89
CCCN(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(CC)C(=O)[O-]	REAL300012989736	1	56	0.0	-41.59	379.48	10.34	-31.25
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012989737	0	51	0.0	-79.37	350.24	9.18	-70.19
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012989737	1	51	0.0	-76.27	354.28	8.66	-67.61
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012989738	0	51	0.0	-65.48	393.41	8.97	-56.51
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012989738	1	51	0.0	-64.24	397.06	8.39	-55.85
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012989739	0	49	0.0	-79.29	351.16	9.45	-69.84
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012989739	1	49	0.0	-77.73	350.26	9.19	-68.54
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012989740	0	54	0.0	-73.93	370.27	8.51	-65.42
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012989740	1	54	0.0	-72.60	370.26	8.51	-64.09
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012989741	0	51	0.0	-73.84	355.72	7.45	-66.39
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012989741	1	51	0.0	-72.59	355.72	7.44	-65.15
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012989742	0	57	0.0	-74.89	375.91	9.15	-65.74
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300012989742	1	57	0.0	-73.63	375.92	9.17	-64.46
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012989743	0	54	0.0	-70.68	399.13	9.31	-61.37
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012989743	1	54	0.0	-71.49	399.14	9.31	-62.18
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012989744	0	54	0.0	-49.53	391.59	10.84	-38.69
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012989744	1	54	0.0	-52.75	401.72	10.59	-42.16
CC(C)(C)[N@@H+]1CCCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012989745	0	51	0.0	-70.33	376.93	8.38	-61.95
CC(C)(C)[N@H+]1CCCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012989745	1	51	0.0	-70.02	380.71	7.92	-62.10
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012989746	0	51	0.0	-67.88	380.73	7.92	-59.96
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012989746	1	51	0.0	-68.81	376.70	8.45	-60.36
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012989747	0	54	0.0	-70.68	399.13	9.31	-61.37
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300012989747	1	54	0.0	-71.49	399.14	9.31	-62.18
CCC(C)C(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989748	0	53	0.0	-69.16	373.88	7.53	-61.63
CCC(C)C(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989748	1	53	0.0	-69.15	370.32	7.25	-61.90
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012989749	0	51	0.0	-79.37	350.24	9.18	-70.19
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCCCC2C(=O)[O-])C1	REAL300012989749	1	51	0.0	-76.27	354.28	8.66	-67.61
CCCC(C)(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989750	0	53	0.0	-69.68	366.39	7.43	-62.25
CCCC(C)(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989750	1	53	0.0	-68.30	366.40	7.42	-60.88
CC(C)CN(CC(=O)[O-])C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989751	0	53	0.0	-49.83	374.61	9.19	-40.64
CC(C)CN(CC(=O)[O-])C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989751	1	53	0.0	-52.48	378.86	8.87	-43.61
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012989752	0	55	0.0	-81.28	389.02	11.47	-69.81
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300012989752	1	55	0.0	-80.56	389.26	11.30	-69.26
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012989753	0	51	0.0	-71.26	354.41	7.42	-63.84
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2CC2)C1	REAL300012989753	1	51	0.0	-66.92	358.36	6.90	-60.02
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012989754	0	48	0.0	-67.90	368.29	7.53	-60.37
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300012989754	1	48	0.0	-68.51	372.59	6.93	-61.58
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012989755	0	54	0.0	-73.93	370.27	8.51	-65.42
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCCC2)C1	REAL300012989755	1	54	0.0	-72.60	370.26	8.51	-64.09
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012989756	0	54	0.0	-48.25	414.42	11.64	-36.61
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300012989756	1	54	0.0	-50.62	418.45	11.11	-39.51
CC(C)(C)[N@@H+]1CCCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012989757	0	58	0.0	-71.30	428.25	9.40	-61.90
CC(C)(C)[N@H+]1CCCC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012989757	1	58	0.0	-69.42	432.23	8.86	-60.56
CC[C@H](C)[C@H](NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989758	0	53	0.0	-68.60	371.28	7.31	-61.29
CC[C@H](C)[C@H](NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989758	1	53	0.0	-67.07	375.29	6.77	-60.30
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012989759	0	51	0.0	-73.84	355.72	7.45	-66.39
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300012989759	1	51	0.0	-72.59	355.72	7.44	-65.15
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012989760	0	54	0.0	-48.47	404.10	11.19	-37.28
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300012989760	1	54	0.0	-50.87	408.13	10.65	-40.22
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012989761	0	55	0.0	-72.34	396.40	9.66	-62.68
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012989761	1	55	0.0	-71.94	396.37	9.61	-62.33
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012989762	0	51	0.0	-68.71	386.91	8.54	-60.17
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300012989762	1	51	0.0	-68.68	387.52	8.60	-60.08
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012989763	0	54	0.0	-71.33	384.73	9.16	-62.17
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012989763	1	54	0.0	-70.71	388.74	8.62	-62.09
CCCCCCC(C)(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989764	0	62	0.0	-68.50	430.89	9.75	-58.75
CCCCCCC(C)(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989764	1	62	0.0	-68.44	430.90	9.75	-58.69
CN(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012989765	0	57	0.0	-69.53	409.79	11.29	-58.24
CN(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012989765	1	57	0.0	-67.43	413.74	10.75	-56.68
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012989766	0	51	0.0	-65.48	393.41	8.97	-56.51
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300012989766	1	51	0.0	-64.24	397.06	8.39	-55.85
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012989767	0	49	0.0	-76.96	341.79	6.76	-70.20
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCOCC2C(=O)[O-])C1	REAL300012989767	1	49	0.0	-76.55	341.49	6.80	-69.75
CN(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C1(C(=O)[O-])CCCCC1	REAL300012989768	0	57	0.0	-75.89	379.54	9.82	-66.07
CN(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C1(C(=O)[O-])CCCCC1	REAL300012989768	1	57	0.0	-71.49	383.55	9.30	-62.19
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012989769	0	57	0.0	-51.43	414.88	11.69	-39.74
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012989769	1	57	0.0	-53.73	424.13	11.37	-42.36
CN(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012989770	0	54	0.0	-66.63	384.86	10.03	-56.60
CN(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012989770	1	54	0.0	-67.27	388.35	9.41	-57.86
COCCN(CC(=O)[O-])C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989771	0	51	0.0	-50.69	361.89	8.08	-42.61
COCCN(CC(=O)[O-])C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989771	1	51	0.0	-53.39	374.10	6.76	-46.63
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012989772	0	55	0.0	-75.23	391.80	9.47	-65.76
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300012989772	1	55	0.0	-74.73	391.61	9.42	-65.31
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012989773	0	51	0.0	-75.56	354.48	8.68	-66.88
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300012989773	1	51	0.0	-76.29	354.35	8.69	-67.60
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012989774	0	51	0.0	-76.36	356.59	8.76	-67.60
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300012989774	1	51	0.0	-72.18	360.63	8.20	-63.98
CC(C)(C)[N@@H+]1CCCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012989775	0	58	0.0	-78.06	432.84	9.32	-68.74
CC(C)(C)[N@H+]1CCCC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300012989775	1	58	0.0	-77.24	436.86	8.79	-68.45
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012989776	0	54	0.0	-76.11	369.41	9.62	-66.49
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCCCCC2C(=O)[O-])C1	REAL300012989776	1	54	0.0	-76.06	367.66	9.22	-66.84
CCCCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989777	0	53	0.0	-68.98	383.51	7.90	-61.08
CCCCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989777	1	53	0.0	-68.82	382.93	7.86	-60.96
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012989778	0	57	0.0	-51.43	414.88	11.69	-39.74
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300012989778	1	57	0.0	-53.73	424.13	11.37	-42.36
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012989779	0	51	0.0	-75.07	360.65	8.20	-66.87
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300012989779	1	51	0.0	-72.15	360.66	8.20	-63.95
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012989780	0	54	0.0	-49.42	375.04	9.70	-39.72
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012989780	1	54	0.0	-51.65	379.04	9.15	-42.50
COCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989781	0	48	0.0	-70.91	356.65	4.01	-66.90
COCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989781	1	48	0.0	-70.16	352.13	4.53	-65.63
CCCCCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989782	0	56	0.0	-68.97	405.02	8.69	-60.28
CCCCCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989782	1	56	0.0	-68.79	404.43	8.64	-60.15
CCC1CCC(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)(C(=O)[O-])CC1	REAL300012989783	0	60	0.0	-69.19	403.00	9.04	-60.15
CCC1CCC(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)(C(=O)[O-])CC1	REAL300012989783	1	60	0.0	-67.94	402.98	9.04	-58.90
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012989784	0	55	0.0	-50.86	383.49	8.01	-42.85
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012989784	1	55	0.0	-50.82	383.47	8.01	-42.81
CN(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C1(C(=O)[O-])CCCC1	REAL300012989785	0	54	0.0	-77.57	367.89	9.43	-68.14
CN(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C1(C(=O)[O-])CCCC1	REAL300012989785	1	54	0.0	-76.83	366.30	9.14	-67.69
CC(C(=O)[O-])N(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C1CC1	REAL300012989786	0	51	0.0	-54.52	357.06	8.71	-45.81
CC(C(=O)[O-])N(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C1CC1	REAL300012989786	1	51	0.0	-54.02	357.40	8.84	-45.18
CCC(C(=O)[O-])N(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C1CC1	REAL300012989787	0	54	0.0	-67.88	367.96	9.49	-58.39
CCC(C(=O)[O-])N(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C1CC1	REAL300012989787	1	54	0.0	-66.43	376.62	9.22	-57.21
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012989788	0	51	0.0	-71.45	388.48	8.87	-62.58
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300012989788	1	51	0.0	-71.71	393.54	8.30	-63.41
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012989789	0	51	0.0	-75.37	381.13	8.53	-66.84
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C1	REAL300012989789	1	51	0.0	-75.62	385.41	7.92	-67.70
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012989790	0	55	0.0	-52.61	392.47	10.69	-41.92
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012989790	1	55	0.0	-58.00	395.79	10.27	-47.73
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012989791	0	54	0.0	-74.93	414.19	9.67	-65.26
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300012989791	1	54	0.0	-73.47	414.38	9.71	-63.76
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012989792	0	60	0.0	-74.88	442.88	11.38	-63.50
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300012989792	1	60	0.0	-71.83	446.81	10.77	-61.06
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012989793	0	60	0.0	-69.13	421.09	9.51	-59.62
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012989793	1	60	0.0	-69.64	420.23	9.53	-60.11
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989794	0	57	0.0	-48.70	409.65	11.68	-37.02
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989794	1	57	0.0	-55.98	413.51	11.48	-44.50
CC1=CC=C(C(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300012989795	0	54	0.0	-70.39	398.32	9.06	-61.33
CC1=CC=C(C(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300012989795	1	54	0.0	-68.86	398.11	9.12	-59.74
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012989796	0	47	0.0	-63.14	356.45	7.08	-56.06
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012989796	1	47	0.0	-62.67	356.70	6.99	-55.68
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012989797	0	57	0.0	-71.79	422.91	10.65	-61.14
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300012989797	1	57	0.0	-71.44	426.69	10.17	-61.27
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012989798	0	52	0.0	-70.10	367.97	8.18	-61.92
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300012989798	1	52	0.0	-66.16	371.93	7.65	-58.51
COCC(C)(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989799	0	51	0.0	-73.93	363.14	5.96	-67.97
COCC(C)(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989799	1	51	0.0	-73.92	363.14	5.95	-67.97
CCOCC(C(=O)[O-])N(C)C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989800	0	54	0.0	-66.18	383.14	7.62	-58.56
CCOCC(C(=O)[O-])N(C)C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989800	1	54	0.0	-65.39	386.36	7.16	-58.23
CC(C)CN(CC(=O)[O-])C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989801	0	53	0.0	-49.83	374.61	9.19	-40.64
CC(C)CN(CC(=O)[O-])C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989801	1	53	0.0	-52.48	378.86	8.87	-43.61
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989802	0	60	0.0	-45.52	419.24	11.61	-33.91
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989802	1	60	0.0	-52.29	423.55	11.12	-41.17
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012989803	0	50	0.0	-50.85	378.33	9.26	-41.59
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300012989803	1	50	0.0	-52.63	382.36	8.73	-43.90
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012989804	0	49	0.0	-67.90	346.36	4.77	-63.13
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300012989804	1	49	0.0	-68.37	350.42	4.27	-64.10
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012989805	0	57	0.0	-71.68	394.48	8.51	-63.17
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012989805	1	57	0.0	-71.51	398.53	7.97	-63.54
CN(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(COC1CCC1)C(=O)[O-]	REAL300012989806	0	58	0.0	-66.50	410.05	9.07	-57.43
CN(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(COC1CCC1)C(=O)[O-]	REAL300012989806	1	58	0.0	-67.12	414.30	8.49	-58.63
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012989807	0	58	0.0	-76.01	419.99	11.79	-64.22
CC(C)(C)[N@H+]1CCCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C1	REAL300012989807	1	58	0.0	-74.89	418.80	11.94	-62.95
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012989808	0	52	0.0	-73.32	361.68	6.02	-67.30
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300012989808	1	52	0.0	-71.87	361.68	6.02	-65.85
C=CCCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989809	0	51	0.0	-69.37	375.06	7.63	-61.74
C=CCCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989809	1	51	0.0	-68.26	375.07	7.63	-60.63
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989810	0	57	0.0	-41.12	406.12	12.01	-29.11
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989810	1	57	0.0	-49.74	409.86	11.58	-38.16
CCC(CC)(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989811	0	53	0.0	-69.34	361.58	7.56	-61.78
CCC(CC)(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989811	1	53	0.0	-69.90	365.30	7.03	-62.87
COC1=CC=C(C(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300012989812	0	55	0.0	-69.83	406.19	7.76	-62.07
COC1=CC=C(C(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300012989812	1	55	0.0	-67.49	409.82	7.17	-60.32
CCC(C)N(CC(=O)[O-])C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989813	0	53	0.0	-50.52	369.41	9.46	-41.06
CCC(C)N(CC(=O)[O-])C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989813	1	53	0.0	-48.66	371.98	9.56	-39.10
CCC(COC)(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989814	0	54	0.0	-74.12	379.83	6.85	-67.27
CCC(COC)(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989814	1	54	0.0	-74.15	379.59	6.86	-67.29
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989815	0	57	0.0	-66.45	404.02	8.47	-57.98
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989815	1	57	0.0	-67.43	407.54	7.97	-59.46
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012989816	0	54	0.0	-73.97	386.81	4.50	-69.47
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C1	REAL300012989816	1	54	0.0	-74.04	386.83	4.49	-69.55
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012989817	0	51	0.0	-68.83	372.14	7.92	-60.91
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012989817	1	51	0.0	-66.81	376.39	7.32	-59.49
COCCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989818	0	51	0.0	-69.74	378.47	4.83	-64.91
COCCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989818	1	51	0.0	-68.54	374.44	5.36	-63.18
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989819	0	56	0.0	-66.00	389.95	9.89	-56.11
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989819	1	56	0.0	-64.30	393.02	9.26	-55.04
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012989820	0	47	0.0	-64.13	354.57	6.32	-57.81
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300012989820	1	47	0.0	-66.15	356.88	6.12	-60.03
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989821	0	57	0.0	-77.40	393.99	10.56	-66.84
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989821	1	57	0.0	-77.85	395.34	10.21	-67.64
CCCN(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(C)C(=O)[O-]	REAL300012989822	0	53	0.0	-54.08	370.55	8.95	-45.13
CCCN(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(C)C(=O)[O-]	REAL300012989822	1	53	0.0	-67.79	377.71	9.04	-58.75
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989823	0	57	0.0	-41.84	404.31	11.87	-29.97
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989823	1	57	0.0	-41.87	406.64	12.03	-29.84
CCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012989824	0	57	0.0	-69.15	418.45	10.57	-58.58
CCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012989824	1	57	0.0	-69.17	418.36	10.53	-58.64
CCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012989825	0	57	0.0	-70.86	401.62	10.02	-60.84
CCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012989825	1	57	0.0	-71.50	405.73	9.51	-61.99
COC1CCCC(C(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])C1	REAL300012989826	0	61	0.0	-69.12	426.95	7.88	-61.24
COC1CCCC(C(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])C1	REAL300012989826	1	61	0.0	-72.73	433.97	7.25	-65.48
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CCF)C(=O)[O-])C1	REAL300012989827	0	47	0.0	-68.41	347.35	6.44	-61.97
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CCF)C(=O)[O-])C1	REAL300012989827	1	47	0.0	-66.77	347.12	6.50	-60.27
COC1(CC(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])CCC1	REAL300012989828	0	58	0.0	-67.55	408.28	7.67	-59.88
COC1(CC(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])CCC1	REAL300012989828	1	58	0.0	-71.39	415.83	7.00	-64.39
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012989829	0	55	0.0	-50.86	383.49	8.01	-42.85
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300012989829	1	55	0.0	-50.82	383.47	8.01	-42.81
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012989830	0	57	0.0	-49.86	392.41	10.40	-39.46
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])C2CCCCC2)C1	REAL300012989830	1	57	0.0	-50.53	392.40	10.39	-40.14
C[C@H]1CC[C@@](NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)(C(=O)[O-])CC1	REAL300012989831	0	57	0.0	-72.78	384.08	8.90	-63.88
C[C@H]1CC[C@@](NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)(C(=O)[O-])CC1	REAL300012989831	1	57	0.0	-72.76	384.10	8.90	-63.86
COC1=CC=CC(C(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])=C1	REAL300012989832	0	55	0.0	-71.94	406.42	7.66	-64.28
COC1=CC=CC(C(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])=C1	REAL300012989832	1	55	0.0	-71.84	406.42	7.66	-64.18
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012989833	0	50	0.0	-65.16	351.49	6.81	-58.35
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300012989833	1	50	0.0	-65.17	351.49	6.80	-58.37
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012989834	0	52	0.0	-55.38	373.62	8.85	-46.53
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300012989834	1	52	0.0	-58.59	378.40	8.45	-50.14
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012989835	0	48	0.0	-71.30	354.73	7.97	-63.33
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C1	REAL300012989835	1	48	0.0	-70.24	354.73	7.97	-62.27
COC1=CC=CC([C@H](NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])=C1	REAL300012989836	0	55	0.0	-71.84	406.41	7.66	-64.18
COC1=CC=CC([C@H](NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])=C1	REAL300012989836	1	55	0.0	-72.89	406.40	7.67	-65.22
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C1	REAL300012989837	0	57	0.0	-77.89	405.27	9.81	-68.08
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)C1	REAL300012989837	1	57	0.0	-71.00	406.55	9.18	-61.82
COC1=CC=CC(CC(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])=C1	REAL300012989838	0	58	0.0	-74.48	428.45	8.68	-65.80
COC1=CC=CC(CC(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])=C1	REAL300012989838	1	58	0.0	-67.47	432.67	8.07	-59.40
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012989839	0	60	0.0	-75.34	398.21	9.38	-65.96
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300012989839	1	60	0.0	-74.15	402.21	8.86	-65.29
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012989840	0	49	0.0	-83.31	347.86	8.79	-74.52
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300012989840	1	49	0.0	-80.79	353.01	8.06	-72.73
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012989841	0	57	0.0	-67.70	419.05	10.02	-57.68
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300012989841	1	57	0.0	-65.43	423.04	9.49	-55.94
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012989842	0	56	0.0	-65.87	412.95	9.83	-56.04
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300012989842	1	56	0.0	-71.96	416.97	9.30	-62.66
COC1CN(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(C)(C(=O)[O-])C1	REAL300012989843	0	55	0.0	-72.21	389.38	7.79	-64.42
COC1CN(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(C)(C(=O)[O-])C1	REAL300012989843	1	55	0.0	-69.40	393.38	7.25	-62.15
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012989844	0	58	0.0	-67.44	407.93	7.81	-59.63
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300012989844	1	58	0.0	-68.29	411.99	7.30	-60.99
CC(C)(C)[C@H](NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989845	0	53	0.0	-69.69	371.55	7.41	-62.28
CC(C)(C)[C@H](NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989845	1	53	0.0	-69.41	369.92	7.43	-61.98
C=C(Cl)CC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989846	0	48	0.0	-69.30	373.22	6.85	-62.45
C=C(Cl)CC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989846	1	48	0.0	-69.95	369.20	7.38	-62.57
C=C(C)CC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989847	0	51	0.0	-70.39	373.90	7.61	-62.78
C=C(C)CC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989847	1	51	0.0	-69.31	373.91	7.60	-61.71
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012989848	0	52	0.0	-79.51	363.65	9.14	-70.37
CC(C)(C)[N@H+]1CCCC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300012989848	1	52	0.0	-78.90	363.39	9.12	-69.78
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012989849	0	57	0.0	-68.40	408.74	9.57	-58.83
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012989849	1	57	0.0	-66.06	412.69	9.04	-57.02
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012989850	0	48	0.0	-69.27	353.40	7.99	-61.28
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300012989850	1	48	0.0	-67.04	357.43	7.45	-59.59
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012989851	0	48	0.0	-74.58	352.29	7.35	-67.23
CC(C)(C)[N@H+]1CCCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012989851	1	48	0.0	-75.66	348.25	7.90	-67.76
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C1	REAL300012989852	0	49	0.0	-75.77	353.72	8.29	-67.48
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)C1	REAL300012989852	1	49	0.0	-72.90	357.75	7.75	-65.15
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012989853	0	58	0.0	-70.97	411.98	7.18	-63.79
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300012989853	1	58	0.0	-68.88	407.98	7.77	-61.11
CC(C)C[C@H](NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989854	0	53	0.0	-67.93	378.63	7.63	-60.30
CC(C)C[C@H](NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989854	1	53	0.0	-66.48	382.64	7.14	-59.34
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012989855	0	55	0.0	-69.50	388.70	5.64	-63.86
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300012989855	1	55	0.0	-72.09	385.25	6.08	-66.01
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012989856	0	51	0.0	-67.88	380.73	7.92	-59.96
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012989856	1	51	0.0	-68.81	376.70	8.45	-60.36
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012989857	0	51	0.0	-68.83	372.14	7.92	-60.91
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300012989857	1	51	0.0	-66.81	376.39	7.32	-59.49
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012989858	0	50	0.0	-66.93	385.74	6.48	-60.45
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])C1	REAL300012989858	1	50	0.0	-67.21	384.89	6.51	-60.70
CC(C)CCCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989859	0	59	0.0	-69.50	422.83	9.13	-60.37
CC(C)CCCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989859	1	59	0.0	-69.52	422.83	9.13	-60.39
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012989860	0	57	0.0	-72.51	427.79	9.80	-62.71
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300012989860	1	57	0.0	-68.04	432.83	9.25	-58.79
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012989861	0	55	0.0	-68.23	395.37	7.16	-61.07
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300012989861	1	55	0.0	-68.51	399.39	6.63	-61.88
CSCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989862	0	48	0.0	-66.51	368.27	6.18	-60.33
CSCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989862	1	48	0.0	-65.72	363.56	6.75	-58.97
COC[C@H](NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989863	0	48	0.0	-68.75	352.13	4.54	-64.21
COC[C@H](NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989863	1	48	0.0	-67.72	356.14	4.01	-63.71
CC(C)(C)[N@@H+]1CCCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012989864	0	54	0.0	-69.05	405.36	9.45	-59.60
CC(C)(C)[N@H+]1CCCC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012989864	1	54	0.0	-68.73	409.62	8.86	-59.87
CCC(C)CC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989865	0	56	0.0	-69.47	400.96	7.79	-61.68
CCC(C)CC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989865	1	56	0.0	-70.15	397.70	8.28	-61.87
C=CCCCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989866	0	54	0.0	-69.18	396.33	8.47	-60.71
C=CCCCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989866	1	54	0.0	-69.05	400.34	7.94	-61.11
CC(C)(C)[N@@H+]1CCCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012989867	0	54	0.0	-67.96	404.71	9.41	-58.55
CC(C)(C)[N@H+]1CCCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300012989867	1	54	0.0	-68.90	404.70	9.41	-59.49
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012989868	0	57	0.0	-73.32	417.66	10.52	-62.80
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300012989868	1	57	0.0	-72.10	421.87	9.98	-62.12
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012989869	0	49	0.0	-79.29	351.16	9.45	-69.84
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCSCC2C(=O)[O-])C1	REAL300012989869	1	49	0.0	-77.73	350.26	9.19	-68.54
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012989870	0	54	0.0	-71.33	384.73	9.16	-62.17
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300012989870	1	54	0.0	-70.71	388.74	8.62	-62.09
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012989871	0	52	0.0	-79.79	364.88	9.26	-70.53
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C1	REAL300012989871	1	52	0.0	-83.45	361.13	9.75	-73.70
CCN(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(C)(C)C(=O)[O-]	REAL300012989872	0	53	0.0	-71.98	365.45	9.07	-62.91
CCN(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(C)(C)C(=O)[O-]	REAL300012989872	1	53	0.0	-72.04	365.46	9.06	-62.98
CCCN(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(C)C(=O)[O-]	REAL300012989873	0	53	0.0	-54.08	370.55	8.95	-45.13
CCCN(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(C)C(=O)[O-]	REAL300012989873	1	53	0.0	-67.79	377.71	9.04	-58.75
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012989874	0	47	0.0	-64.36	353.31	8.62	-55.74
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012989874	1	47	0.0	-62.76	357.33	8.09	-54.67
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012989875	0	47	0.0	-64.36	353.31	8.62	-55.74
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C1	REAL300012989875	1	47	0.0	-62.76	357.33	8.09	-54.67
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012989876	0	60	0.0	-52.52	427.02	6.60	-45.92
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])C1	REAL300012989876	1	60	0.0	-52.34	427.04	6.59	-45.75
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012989877	0	49	0.0	-79.28	351.54	4.53	-74.75
CC(C)(C)[N@H+]1CCCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1	REAL300012989877	1	49	0.0	-78.06	351.54	4.53	-73.53
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)CC1	REAL300012989878	1	64	0.0	-51.35	452.22	6.47	-44.88
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC[N@H+](C(C)(C)C)C2)CC1	REAL300012989878	1	64	0.0	-52.12	452.23	6.46	-45.66
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989879	0	55	0.0	-45.01	393.80	11.24	-33.77
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989879	1	55	0.0	-54.07	397.90	10.56	-43.51
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)[C@H]1C(=O)[O-]	REAL300012989880	0	58	0.0	-60.73	407.57	10.83	-49.90
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)[C@H]1C(=O)[O-]	REAL300012989880	1	58	0.0	-58.34	407.45	10.84	-47.50
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012989881	0	56	0.0	-67.67	396.67	9.49	-58.18
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C1	REAL300012989881	1	56	0.0	-67.10	400.56	9.02	-58.08
CC(C)(C)[N@@H+]1CCCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012989882	0	51	0.0	-70.33	376.93	8.38	-61.95
CC(C)(C)[N@H+]1CCCC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012989882	1	51	0.0	-70.02	380.71	7.92	-62.10
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012989883	0	56	0.0	-71.41	416.80	8.38	-63.03
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C1	REAL300012989883	1	56	0.0	-71.86	417.05	8.32	-63.54
C=CCCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989884	0	51	0.0	-69.37	375.06	7.63	-61.74
C=CCCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989884	1	51	0.0	-68.26	375.07	7.63	-60.63
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012989885	0	50	0.0	-72.86	385.71	6.32	-66.54
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])C1	REAL300012989885	1	50	0.0	-64.85	389.98	5.79	-59.06
CC(C)(C)[N@@H+]1CCCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012989886	0	51	0.0	-65.38	408.42	7.61	-57.77
CC(C)(C)[N@H+]1CCCC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300012989886	1	51	0.0	-66.04	405.21	8.13	-57.91
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012989887	0	51	0.0	-88.41	370.07	5.74	-82.67
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C1	REAL300012989887	1	51	0.0	-88.56	369.87	5.74	-82.82
CN1CC(C(=O)[O-])N(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)CC1=O	REAL300012989888	0	52	0.0	-70.02	367.69	7.47	-62.55
CN1CC(C(=O)[O-])N(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)CC1=O	REAL300012989888	1	52	0.0	-70.34	367.67	7.48	-62.86
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012989889	0	51	0.0	-72.16	360.69	8.22	-63.94
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300012989889	1	51	0.0	-75.14	356.63	8.75	-66.39
CC(C)(C)[N@@H+]1CCCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012989890	0	51	0.0	-69.27	376.92	8.37	-60.90
CC(C)(C)[N@H+]1CCCC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C1	REAL300012989890	1	51	0.0	-68.37	380.90	7.84	-60.53
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012989891	0	54	0.0	-68.17	390.71	7.72	-60.45
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C1	REAL300012989891	1	54	0.0	-72.03	390.40	7.18	-64.85
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012989892	0	54	0.0	-49.42	375.04	9.70	-39.72
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300012989892	1	54	0.0	-51.65	379.04	9.15	-42.50
CC[C@H](C)[C@H](NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989893	0	53	0.0	-68.60	371.28	7.31	-61.29
CC[C@H](C)[C@H](NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989893	1	53	0.0	-67.07	375.29	6.77	-60.30
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012989894	0	52	0.0	-78.79	372.32	4.17	-74.62
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C1	REAL300012989894	1	52	0.0	-78.41	376.18	3.66	-74.75
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989895	0	60	0.0	-68.90	421.22	7.48	-61.42
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989895	1	60	0.0	-68.21	427.77	7.07	-61.14
CC1CCC(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)(C(=O)[O-])C1	REAL300012989896	0	54	0.0	-72.76	376.06	8.04	-64.72
CC1CCC(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)(C(=O)[O-])C1	REAL300012989896	1	54	0.0	-72.87	380.01	7.47	-65.40
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012989897	0	57	0.0	-74.51	384.58	8.64	-65.87
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C1	REAL300012989897	1	57	0.0	-72.99	390.30	8.24	-64.75
COCCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989898	0	51	0.0	-69.74	378.47	4.83	-64.91
COCCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989898	1	51	0.0	-68.54	374.44	5.36	-63.18
CN(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012989899	0	57	0.0	-69.53	409.79	11.29	-58.24
CN(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012989899	1	57	0.0	-67.43	413.74	10.75	-56.68
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012989900	0	54	0.0	-71.61	382.35	8.18	-63.43
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C1	REAL300012989900	1	54	0.0	-74.22	382.00	8.17	-66.05
CC1CCC(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012989901	0	61	0.0	-73.92	425.79	10.73	-63.19
CC1CCC(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012989901	1	61	0.0	-75.67	429.90	10.23	-65.44
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012989902	0	51	0.0	-71.25	362.20	7.63	-63.62
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2(C)CC2)C1	REAL300012989902	1	51	0.0	-71.05	366.20	7.11	-63.94
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989903	0	60	0.0	-70.50	424.64	7.58	-62.92
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989903	1	60	0.0	-70.94	428.66	7.05	-63.89
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012989904	0	49	0.0	-82.79	350.18	4.71	-78.08
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C1	REAL300012989904	1	49	0.0	-81.25	354.23	4.16	-77.09
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012989905	0	59	0.0	-56.49	419.12	11.81	-44.68
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C1	REAL300012989905	1	59	0.0	-54.22	419.15	11.93	-42.29
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012989906	0	52	0.0	-67.41	368.17	5.24	-62.17
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCOC2)C1	REAL300012989906	1	52	0.0	-68.06	371.29	4.80	-63.26
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012989907	0	52	0.0	-80.19	361.34	9.34	-70.85
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C1	REAL300012989907	1	52	0.0	-81.35	361.54	9.34	-72.01
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012989908	0	55	0.0	-78.11	408.59	8.52	-69.59
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300012989908	1	55	0.0	-76.98	408.61	8.51	-68.47
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012989909	0	50	0.0	-77.76	353.81	7.09	-70.67
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C1	REAL300012989909	1	50	0.0	-75.32	357.82	6.52	-68.80
CC1CCC(C(=O)[O-])N(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C1	REAL300012989910	0	54	0.0	-81.00	367.27	10.28	-70.72
CC1CCC(C(=O)[O-])N(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)C1	REAL300012989910	1	54	0.0	-76.74	370.45	9.51	-67.23
CC(C1=CC=CC=C1)C(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989911	0	57	0.0	-69.13	414.38	9.65	-59.48
CC(C1=CC=CC=C1)C(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989911	1	57	0.0	-68.05	419.94	9.20	-58.85
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012989912	0	58	0.0	-68.90	412.03	9.60	-59.30
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012989912	1	58	0.0	-69.66	417.43	8.91	-60.75
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012989913	0	51	0.0	-69.73	360.55	7.26	-62.47
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012989913	1	51	0.0	-67.38	364.77	6.74	-60.64
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012989914	0	64	0.0	-73.27	433.18	9.04	-64.23
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C1	REAL300012989914	1	64	0.0	-71.75	433.50	9.11	-62.64
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012989915	0	57	0.0	-71.68	394.48	8.51	-63.17
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C1	REAL300012989915	1	57	0.0	-71.51	398.53	7.97	-63.54
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012989916	0	51	0.0	-69.73	360.55	7.26	-62.47
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCC2)C1	REAL300012989916	1	51	0.0	-67.38	364.77	6.74	-60.64
CC1CCN(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C1C(=O)[O-]	REAL300012989917	0	51	0.0	-75.52	354.19	8.68	-66.84
CC1CCN(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)C1C(=O)[O-]	REAL300012989917	1	51	0.0	-76.81	360.85	8.49	-68.32
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012989918	0	58	0.0	-73.00	414.73	7.53	-65.47
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])C1	REAL300012989918	1	58	0.0	-70.16	418.74	7.01	-63.15
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012989919	0	58	0.0	-40.90	382.66	9.95	-30.95
CC(C)(C)[N@H+]1CCCC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1	REAL300012989919	1	58	0.0	-49.76	390.82	9.51	-40.25
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012989920	0	58	0.0	-74.54	390.77	7.32	-67.22
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C1	REAL300012989920	1	58	0.0	-73.45	394.79	6.77	-66.68
CC1=CC=CC2=C1CCN(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C2C(=O)[O-]	REAL300012989921	0	58	0.0	-85.42	403.82	11.82	-73.60
CC1=CC=CC2=C1CCN(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)C2C(=O)[O-]	REAL300012989921	1	58	0.0	-57.62	413.06	10.71	-46.91
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012989922	0	52	0.0	-49.11	367.10	8.67	-40.44
CC(C)(C)[N@H+]1CCCC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C1	REAL300012989922	1	52	0.0	-45.31	363.12	9.18	-36.13
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012989923	0	58	0.0	-68.90	412.03	9.60	-59.30
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C1	REAL300012989923	1	58	0.0	-69.66	417.43	8.91	-60.75
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012989924	0	54	0.0	-73.19	405.36	9.45	-63.74
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012989924	1	54	0.0	-64.95	409.59	8.84	-56.11
COC1CC(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)(C(=O)[O-])C1	REAL300012989925	0	52	0.0	-70.62	374.18	6.24	-64.38
COC1CC(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)(C(=O)[O-])C1	REAL300012989925	1	52	0.0	-76.06	379.12	5.42	-70.64
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012989926	0	48	0.0	-73.25	350.56	7.02	-66.23
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C1	REAL300012989926	1	48	0.0	-72.06	350.30	7.04	-65.02
CO[C@H]1C[C@](NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)(C(=O)[O-])C1	REAL300012989927	0	52	0.0	-67.14	377.34	5.35	-61.79
CO[C@H]1C[C@](NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)(C(=O)[O-])C1	REAL300012989927	1	52	0.0	-69.37	377.67	5.33	-64.04
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012989928	0	51	0.0	-72.88	380.89	8.06	-64.82
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C1	REAL300012989928	1	51	0.0	-62.79	387.59	7.13	-55.66
CCC1(C(=O)[O-])CCCN1C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989929	0	54	0.0	-78.26	372.73	10.01	-68.25
CCC1(C(=O)[O-])CCCN1C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989929	1	54	0.0	-75.97	376.57	9.27	-66.70
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012989930	0	47	0.0	-63.14	356.45	7.08	-56.06
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300012989930	1	47	0.0	-62.67	356.70	6.99	-55.68
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012989931	0	55	0.0	-67.76	395.75	6.48	-61.28
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012989931	1	55	0.0	-69.39	399.65	5.82	-63.57
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012989932	0	51	0.0	-68.65	391.39	8.31	-60.34
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])C1	REAL300012989932	1	51	0.0	-68.16	395.08	7.84	-60.32
COCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012989933	0	58	0.0	-68.85	417.71	8.34	-60.51
COCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012989933	1	58	0.0	-70.02	417.72	8.33	-61.69
CC(C)C(C)(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989934	0	53	0.0	-68.79	359.82	7.30	-61.49
CC(C)C(C)(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989934	1	53	0.0	-66.97	365.65	6.83	-60.14
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012989935	0	49	0.0	-77.58	350.87	8.84	-68.74
CC(C)(C)[N@H+]1CCCC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012989935	1	49	0.0	-78.53	351.24	8.84	-69.69
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012989936	0	52	0.0	-74.32	366.77	8.44	-65.88
CC(C)(C)[N@H+]1CCCC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012989936	1	52	0.0	-77.87	362.73	8.79	-69.08
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989937	0	57	0.0	-41.84	404.31	11.87	-29.97
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989937	1	57	0.0	-41.87	406.64	12.03	-29.84
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012989938	0	60	0.0	-69.13	421.09	9.51	-59.62
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300012989938	1	60	0.0	-69.64	420.23	9.53	-60.11
CC(C)(C)[N@@H+]1CCCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012989939	0	57	0.0	-69.54	422.16	10.09	-59.45
CC(C)(C)[N@H+]1CCCC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012989939	1	57	0.0	-68.06	426.18	9.57	-58.49
CC(C)(C)[N@@H+]1CCCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012989940	0	57	0.0	-70.70	422.17	10.10	-60.60
CC(C)(C)[N@H+]1CCCC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300012989940	1	57	0.0	-70.43	426.18	9.56	-60.87
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012989941	0	58	0.0	-72.06	400.13	9.03	-63.03
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C1	REAL300012989941	1	58	0.0	-67.50	401.15	8.16	-59.34
CC(C)(C)[N@@H+]1CCCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012989942	0	60	0.0	-69.91	420.85	9.56	-60.35
CC(C)(C)[N@H+]1CCCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012989942	1	60	0.0	-69.76	424.90	9.05	-60.71
CC(C)(C)[N@@H+]1CCCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012989943	0	60	0.0	-69.13	421.09	9.50	-59.63
CC(C)(C)[N@H+]1CCCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1	REAL300012989943	1	60	0.0	-67.06	424.91	9.05	-58.01
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012989944	0	58	0.0	-44.97	402.23	10.15	-34.82
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C1	REAL300012989944	1	58	0.0	-48.56	406.19	9.60	-38.96
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012989945	0	58	0.0	-79.27	398.99	10.10	-69.17
CC(C)(C)[N@H+]1CCCC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C1	REAL300012989945	1	58	0.0	-78.80	398.13	9.89	-68.91
COC1=CC=C(CC(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300012989946	0	58	0.0	-69.37	428.39	8.68	-60.69
COC1=CC=C(CC(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300012989946	1	58	0.0	-70.03	427.80	8.63	-61.40
C=CCSCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989947	0	52	0.0	-66.04	398.49	8.18	-57.86
C=CCSCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989947	1	52	0.0	-65.63	398.74	8.10	-57.53
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012989948	0	55	0.0	-69.48	419.72	9.78	-59.70
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C1	REAL300012989948	1	55	0.0	-70.95	419.95	9.71	-61.24
CCC(C(=O)[O-])N(CC)C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989949	0	53	0.0	-65.77	365.60	9.17	-56.60
CCC(C(=O)[O-])N(CC)C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989949	1	53	0.0	-67.57	365.78	9.16	-58.41
COC1(C(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])CCC1	REAL300012989950	0	55	0.0	-71.62	388.97	6.07	-65.55
COC1(C(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])CCC1	REAL300012989950	1	55	0.0	-71.76	393.53	6.21	-65.55
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012989951	0	57	0.0	-71.22	395.87	8.60	-62.62
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C1	REAL300012989951	1	57	0.0	-69.30	401.87	9.30	-60.00
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012989952	0	58	0.0	-72.82	408.19	10.42	-62.40
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C1	REAL300012989952	1	58	0.0	-73.75	408.19	10.44	-63.31
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012989953	0	51	0.0	-78.29	373.62	7.85	-70.44
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C1	REAL300012989953	1	51	0.0	-66.54	375.94	7.21	-59.33
CC(C)(C)C1=CC=C(C(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300012989955	0	63	0.0	-68.32	452.50	10.74	-57.58
CC(C)(C)C1=CC=C(C(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300012989955	1	63	0.0	-67.99	457.13	10.15	-57.84
CC(C)C1=CC=C(C(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300012989956	0	60	0.0	-68.99	437.12	10.30	-58.69
CC(C)C1=CC=C(C(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300012989956	1	60	0.0	-69.66	440.92	9.85	-59.81
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012989957	0	48	0.0	-74.58	352.29	7.35	-67.23
CC(C)(C)[N@H+]1CCCC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1	REAL300012989957	1	48	0.0	-75.66	348.25	7.90	-67.76
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012989958	0	50	0.0	-52.24	359.44	8.49	-43.75
CC(C)(C)[N@H+]1CCCC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])C1	REAL300012989958	1	50	0.0	-51.77	359.05	8.53	-43.24
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012989959	0	54	0.0	-76.10	375.91	8.63	-67.47
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])C1	REAL300012989959	1	54	0.0	-73.36	378.46	8.59	-64.77
CCOC1=CC=C(C(NC(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300012989960	0	58	0.0	-69.79	428.05	8.67	-61.12
CCOC1=CC=C(C(NC(=O)NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300012989960	1	58	0.0	-67.97	432.27	8.05	-59.92
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012989961	0	58	0.0	-77.53	400.65	10.64	-66.89
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C1	REAL300012989961	1	58	0.0	-76.28	398.39	10.32	-65.96
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012989962	0	58	0.0	-69.49	419.04	10.39	-59.10
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300012989962	1	58	0.0	-67.87	418.74	10.13	-57.74
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012989963	0	58	0.0	-76.08	419.35	9.42	-66.66
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C1	REAL300012989963	1	58	0.0	-75.05	423.36	8.88	-66.17
CC(C)(C)[N@@H+]1CCCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012989964	0	54	0.0	-73.74	413.15	9.30	-64.44
CC(C)(C)[N@H+]1CCCC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C1	REAL300012989964	1	54	0.0	-70.62	416.93	8.83	-61.79
CC(C)CCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989965	0	56	0.0	-69.22	401.08	8.42	-60.80
CC(C)CCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989965	1	56	0.0	-69.03	400.49	8.38	-60.65
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012989966	0	55	0.0	-45.49	388.78	9.66	-35.83
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])C1	REAL300012989966	1	55	0.0	-44.78	385.27	9.58	-35.20
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012989967	0	55	0.0	-67.76	395.75	6.48	-61.28
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C1	REAL300012989967	1	55	0.0	-69.39	399.65	5.82	-63.57
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C1	REAL300012989968	0	52	0.0	-73.30	386.65	8.83	-64.47
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)C1	REAL300012989968	1	52	0.0	-71.19	387.87	8.65	-62.54
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012989969	0	55	0.0	-74.67	376.07	9.15	-65.52
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)C1	REAL300012989969	1	55	0.0	-72.43	382.79	8.35	-64.08
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012989970	0	52	0.0	-74.35	363.39	8.23	-66.12
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CCC3CC32)C1	REAL300012989970	1	52	0.0	-74.89	367.10	7.77	-67.12
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012989971	0	55	0.0	-73.54	384.26	8.63	-64.91
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300012989971	1	55	0.0	-72.41	384.24	8.63	-63.78
CN(C(=O)NC1CCC[N@@H+](C(C)(C)C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012989972	0	57	0.0	-69.12	409.78	11.37	-57.75
CN(C(=O)NC1CCC[N@H+](C(C)(C)C)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012989972	1	57	0.0	-68.72	411.79	10.71	-58.01
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012989973	0	61	0.0	-44.66	414.40	10.57	-34.09
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C1	REAL300012989973	1	61	0.0	-48.71	420.39	10.08	-38.63
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012989974	0	54	0.0	-69.56	382.08	7.97	-61.59
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCCC2)C1	REAL300012989974	1	54	0.0	-70.71	381.06	7.29	-63.42
CO[C@H](C)[C@H](NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989975	0	51	0.0	-69.18	370.75	5.56	-63.62
CO[C@H](C)[C@H](NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989975	1	51	0.0	-70.41	370.74	5.54	-64.87
CC1[C@@H](C)[C@@]1(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989976	0	51	0.0	-72.45	354.91	7.54	-64.91
CC1[C@@H](C)[C@@]1(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989976	1	51	0.0	-71.80	358.95	7.00	-64.80
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012989977	0	54	0.0	-49.53	391.59	10.84	-38.69
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C1	REAL300012989977	1	54	0.0	-52.75	401.72	10.59	-42.16
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012989978	0	54	0.0	-44.92	378.23	8.92	-36.00
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])C1	REAL300012989978	1	54	0.0	-49.54	385.69	8.43	-41.11
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012989979	0	55	0.0	-75.98	399.72	11.47	-64.51
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])C1	REAL300012989979	1	55	0.0	-70.91	402.45	10.77	-60.14
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012989980	0	51	0.0	-77.93	361.56	9.27	-68.66
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C1	REAL300012989980	1	51	0.0	-78.87	362.23	9.60	-69.27
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012989981	0	48	0.0	-78.76	353.21	7.92	-70.84
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])C1	REAL300012989981	1	48	0.0	-81.18	352.20	7.96	-73.22
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012989982	0	54	0.0	-73.19	405.36	9.45	-63.74
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300012989982	1	54	0.0	-64.95	409.59	8.84	-56.11
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012989983	0	51	0.0	-69.56	390.01	8.23	-61.33
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012989983	1	51	0.0	-67.59	394.03	7.69	-59.90
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012989984	0	51	0.0	-75.01	369.15	8.98	-66.03
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C1	REAL300012989984	1	51	0.0	-65.92	372.70	8.34	-57.58
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012989985	0	55	0.0	-71.03	407.97	8.50	-62.53
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C1	REAL300012989985	1	55	0.0	-74.05	403.70	9.06	-64.99
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012989986	0	59	0.0	-74.27	428.64	10.36	-63.91
CC(C)(C)[N@H+]1CCCC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C1	REAL300012989986	1	59	0.0	-71.21	430.79	10.08	-61.13
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012989987	0	51	0.0	-69.56	390.01	8.23	-61.33
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])C1	REAL300012989987	1	51	0.0	-67.59	394.03	7.69	-59.90
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012989988	0	55	0.0	-75.39	382.37	8.78	-66.61
CC(C)(C)[N@H+]1CCCC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300012989988	1	55	0.0	-77.77	382.65	8.82	-68.95
COCCCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989989	0	54	0.0	-68.29	395.69	6.20	-62.09
COCCCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989989	1	54	0.0	-68.75	395.94	6.14	-62.61
CCCC(C(=O)[O-])N(C)C(=O)NC1CCC[N@@H+](C(C)(C)C)C1	REAL300012989990	0	53	0.0	-65.37	372.64	9.23	-56.14
CCCC(C(=O)[O-])N(C)C(=O)NC1CCC[N@H+](C(C)(C)C)C1	REAL300012989990	1	53	0.0	-65.80	377.24	8.58	-57.22
CCOCC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989991	0	51	0.0	-70.93	374.47	5.51	-65.42
CCOCC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989991	1	51	0.0	-69.71	374.48	5.50	-64.21
CC(C)(C)CC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989992	0	56	0.0	-69.12	391.60	8.70	-60.42
CC(C)(C)CC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300012989992	1	56	0.0	-69.14	391.60	8.70	-60.44
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012989993	0	55	0.0	-70.61	391.51	6.86	-63.75
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C2CCCCO2)C1	REAL300012989993	1	55	0.0	-69.72	396.01	6.33	-63.39
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012989994	0	55	0.0	-72.34	396.40	9.66	-62.68
CC(C)(C)[N@H+]1CCCC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300012989994	1	55	0.0	-71.94	396.37	9.61	-62.33
C[C@H]1OCCN(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)[C@@H]1C(=O)[O-]	REAL300012989995	0	52	0.0	-76.02	366.30	7.25	-68.77
C[C@H]1OCCN(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)[C@@H]1C(=O)[O-]	REAL300012989995	1	52	0.0	-78.84	362.16	7.75	-71.09
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012989996	0	54	0.0	-69.34	382.03	9.21	-60.13
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C1	REAL300012989996	1	54	0.0	-69.23	385.87	8.70	-60.53
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012989997	0	48	0.0	-70.66	364.81	6.29	-64.37
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CCC#N)C(=O)[O-])C1	REAL300012989997	1	48	0.0	-68.28	365.62	6.27	-62.01
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012989998	0	65	0.0	-74.73	433.30	10.40	-64.33
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)C1	REAL300012989998	1	65	0.0	-71.57	437.32	9.88	-61.69
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012989999	0	57	0.0	-71.48	423.71	9.69	-61.79
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C1	REAL300012989999	1	57	0.0	-72.79	424.51	9.67	-63.12
CC(C)(C)[N@@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012990000	0	51	0.0	-56.52	383.39	8.73	-47.79
CC(C)(C)[N@H+]1CCCC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C1	REAL300012990000	1	51	0.0	-52.12	379.36	9.26	-42.86
CC(C)(C)[N@@H+]1CCCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012990001	0	62	0.0	-78.66	412.76	9.69	-68.97
CC(C)(C)[N@H+]1CCCC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C1	REAL300012990001	1	62	0.0	-77.92	410.71	9.83	-68.09
CC(C)(C)[N@@H+]1CCCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012990002	0	53	0.0	-71.18	410.78	8.02	-63.16
CC(C)(C)[N@H+]1CCCC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C1	REAL300012990002	1	53	0.0	-65.57	414.71	7.47	-58.10
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCC[N@@H+](C(C)(C)C)C2)C1	REAL300012990003	0	55	0.0	-71.97	397.84	7.70	-64.27
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCC[N@H+](C(C)(C)C)C2)C1	REAL300012990003	1	55	0.0	-77.48	395.33	7.89	-69.59
C[C@@H](O)C1=NNC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300012990381	0	53	0.0	-62.43	420.08	1.52	-60.91
CC1=CC=C(C(F)CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1C	REAL300012990678	0	59	0.0	-59.44	450.63	9.20	-50.24
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3(CC3F)C2)CC1	REAL300012991188	0	51	0.0	-61.43	397.31	7.32	-54.11
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3(C2)CC2CCC3C2)CC1	REAL300012991435	0	61	0.0	-62.25	443.97	9.18	-53.07
CN1C=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C2=CC=CC=C21	REAL300012992014	0	57	0.0	-69.60	445.53	9.21	-60.39
CC1=NC(Cl)=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012993653	0	52	0.0	-64.33	420.27	6.82	-57.51
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2CCCCC2(F)F)CC1	REAL300012994559	0	59	0.0	-64.36	443.31	8.43	-55.93
CC(C)C[C@H](NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994692	1	49	0.0	-68.22	386.71	7.12	-61.10
C=CCOCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994693	1	48	0.0	-68.49	395.62	5.65	-62.84
C=CC(C)C(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994694	1	47	0.0	-67.13	380.67	6.97	-60.16
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300012994695	1	51	0.0	-71.63	393.08	5.60	-66.03
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=[NH+]1	REAL300012994696	1	47	0.0	-63.30	397.28	7.98	-55.32
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=[NH+]1	REAL300012994697	1	47	0.0	-63.23	407.17	8.43	-54.80
COC1CCN(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(C(=O)[O-])C1	REAL300012994698	1	51	0.0	-76.16	387.88	7.89	-68.27
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCCOC2)C=[NH+]1	REAL300012994699	1	51	0.0	-64.89	392.93	5.66	-59.23
CC1CCN(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(C(=O)[O-])C1	REAL300012994700	1	50	0.0	-75.44	371.38	9.11	-66.33
CC1=CC(C(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=CC=C1F	REAL300012994701	1	50	0.0	-64.95	411.04	8.57	-56.38
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C=[NH+]1	REAL300012994702	1	52	0.0	-67.84	419.86	7.70	-60.14
CC1=CC(C)=CC(C(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=C1	REAL300012994703	1	53	0.0	-69.76	427.76	9.24	-60.52
CC1=CC=C(C(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1C	REAL300012994704	1	53	0.0	-69.73	422.11	9.11	-60.62
CC1=CC=CC(C(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=C1C	REAL300012994705	1	53	0.0	-69.53	415.20	8.85	-60.68
COC1=CC=C(C(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1F	REAL300012994706	1	51	0.0	-66.86	419.41	7.28	-59.58
CCCN(CC(=O)[O-])C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994707	1	46	0.0	-56.28	368.57	8.38	-47.90
CC(C(=O)[O-])N(C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C1CCC1	REAL300012994708	1	50	0.0	-56.29	379.37	8.65	-47.64
CCCN(C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(COC)C(=O)[O-]	REAL300012994709	1	53	0.0	-65.35	406.15	7.97	-57.38
CCCN(C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(CC)C(=O)[O-]	REAL300012994710	1	52	0.0	-63.75	393.86	9.23	-54.52
CC(C)C(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994711	1	46	0.0	-65.74	364.17	6.37	-59.37
CN(C)C1=CC=C(CCNC(=O)N2CCCCC2C(=O)[O-])C=[NH+]1	REAL300012994712	1	47	0.0	-76.31	357.90	9.01	-67.30
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=[NH+]1	REAL300012994713	1	47	0.0	-65.75	400.65	8.39	-57.36
CN(C)C1=CC=C(CCNC(=O)N2CCSCC2C(=O)[O-])C=[NH+]1	REAL300012994714	1	45	0.0	-72.71	358.70	8.69	-64.02
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCCC2)C=[NH+]1	REAL300012994715	1	50	0.0	-71.34	377.67	8.02	-63.32
CN(C)C1=CC=C(CCNC(=O)N2CCCC2C(=O)[O-])C=[NH+]1	REAL300012994716	1	44	0.0	-72.05	346.52	7.71	-64.34
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300012994717	1	47	0.0	-71.20	362.78	6.92	-64.28
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCCCC2)C=[NH+]1	REAL300012994718	1	53	0.0	-71.96	383.33	8.69	-63.27
CN(C)C1=CC=C(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012994719	1	50	0.0	-68.07	407.48	8.77	-59.30
CN(C)C1=CC=C(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=[NH+]1	REAL300012994720	1	50	0.0	-56.47	406.06	10.63	-45.84
CN(C)C1=CC=C(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012994721	1	47	0.0	-67.79	384.10	7.96	-59.83
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012994722	1	47	0.0	-68.70	384.67	7.91	-60.79
CC(C)C(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994723	1	46	0.0	-65.74	364.17	6.37	-59.37
CN(C)C1=CC=C(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012994724	1	50	0.0	-68.07	407.48	8.77	-59.30
CCC(C)C(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994725	1	49	0.0	-67.67	378.63	6.70	-60.97
CN(C)C1=CC=C(CCNC(=O)N2CCCCC2C(=O)[O-])C=[NH+]1	REAL300012994726	1	47	0.0	-76.31	357.90	9.01	-67.30
CCCC(C)(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994727	1	49	0.0	-66.10	373.79	6.94	-59.16
CC(C)N(CC(=O)[O-])C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994728	1	46	0.0	-57.16	357.19	7.90	-49.26
CN(C)C1=CC=C(CCNC(=O)N(CC(=O)[O-])C2CC2)C=[NH+]1	REAL300012994729	1	44	0.0	-57.41	348.96	8.16	-49.25
C=CCN(CC(=O)[O-])C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994730	1	44	0.0	-56.00	359.88	8.18	-47.82
CC(C)CN(CC(=O)[O-])C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994731	1	49	0.0	-55.74	382.89	8.63	-47.11
CN(C)C1=CC=C(CCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=[NH+]1	REAL300012994732	1	51	0.0	-76.22	395.85	10.94	-65.28
CN(C)C1=CC=C(CCNC(=O)NC(C)(C(=O)[O-])C2CC2)C=[NH+]1	REAL300012994733	1	47	0.0	-67.64	362.78	6.93	-60.71
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=CS2)C=[NH+]1	REAL300012994734	1	44	0.0	-67.01	375.17	7.00	-60.01
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCCC2)C=[NH+]1	REAL300012994735	1	50	0.0	-71.34	377.67	8.02	-63.32
CN(C)C1=CC=C(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C=[NH+]1	REAL300012994736	1	50	0.0	-54.05	421.82	11.14	-42.91
CC(C)N(CC(=O)[O-])C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994737	1	46	0.0	-57.16	357.19	7.90	-49.26
CCCN(CC(=O)[O-])C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994738	1	46	0.0	-56.28	368.57	8.38	-47.90
CN(C)C1=CC=C(CCNC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C=[NH+]1	REAL300012994739	1	54	0.0	-69.32	435.27	8.89	-60.43
CC[C@H](C)[C@H](NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994740	1	49	0.0	-68.87	379.40	6.77	-62.10
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300012994741	1	47	0.0	-71.20	362.78	6.92	-64.28
CN(C)C1=CC=C(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=[NH+]1	REAL300012994742	1	50	0.0	-54.25	411.12	10.67	-43.58
CCC(C)(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994743	1	46	0.0	-65.81	352.29	6.18	-59.63
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=[NH+]1	REAL300012994744	1	51	0.0	-70.15	404.76	9.14	-61.01
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=[NH+]1	REAL300012994745	1	47	0.0	-67.45	395.91	8.10	-59.35
CN(C)C1=CC=C(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012994746	1	50	0.0	-69.48	393.09	8.66	-60.82
CCCCCCC(C)(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994747	1	58	0.0	-66.28	438.29	9.27	-57.01
CN(C)C1=CC=C(CCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012994748	1	53	0.0	-65.87	416.53	10.80	-55.07
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=[NH+]1	REAL300012994749	1	47	0.0	-65.75	400.65	8.39	-57.36
CN(C)C1=CC=C(CCNC(=O)N2CCOCC2C(=O)[O-])C=[NH+]1	REAL300012994750	1	45	0.0	-72.63	349.42	6.32	-66.31
CN(C)C1=CC=C(CCNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C=[NH+]1	REAL300012994751	1	53	0.0	-72.99	386.94	9.33	-63.66
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CC2)C=[NH+]1	REAL300012994752	1	44	0.0	-69.17	354.54	6.30	-62.87
CN(C)C1=CC=C(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=[NH+]1	REAL300012994753	1	53	0.0	-57.30	428.38	11.35	-45.95
CN(C)C1=CC=C(CCNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012994754	1	50	0.0	-70.49	394.07	10.13	-60.36
COCCN(CC(=O)[O-])C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994755	1	47	0.0	-57.05	378.35	6.76	-50.29
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C=[NH+]1	REAL300012994756	1	51	0.0	-73.84	400.33	9.01	-64.83
CN(C)C1=CC=C(CCNC(=O)N2CCC[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012994757	1	44	0.0	-73.93	348.66	7.42	-66.51
CN(C)C1=CC=C(CCNC(=O)N2CCCC[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012994758	1	47	0.0	-74.98	357.78	8.73	-66.25
CN(C)C1=CC=C(CCNC(=O)N2CCC[C@H]2C(=O)[O-])C=[NH+]1	REAL300012994759	1	44	0.0	-73.55	346.91	7.72	-65.83
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCC2)C=[NH+]1	REAL300012994760	1	44	0.0	-71.98	350.26	6.53	-65.45
C=CCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994761	1	44	0.0	-66.18	361.43	6.26	-59.92
CN(C)C1=CC=C(CCNC(=O)N2CCCC2(C)C(=O)[O-])C=[NH+]1	REAL300012994762	1	47	0.0	-71.87	363.99	8.27	-63.60
CN(C)C1=CC=C(CCNC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])C=[NH+]1	REAL300012994763	1	54	0.0	-74.59	440.49	8.77	-65.82
CN(C)C1=CC=C(CCNC(=O)N2CCCCCC2C(=O)[O-])C=[NH+]1	REAL300012994764	1	50	0.0	-73.02	372.96	9.58	-63.44
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CC2)C=[NH+]1	REAL300012994765	1	44	0.0	-69.17	354.54	6.30	-62.87
CCCCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994766	1	49	0.0	-65.93	391.80	7.37	-58.56
CN(C)C1=CC=C(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=[NH+]1	REAL300012994767	1	53	0.0	-57.30	428.38	11.35	-45.95
CN(C)C1=CC=C(CCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C=[NH+]1	REAL300012994768	1	47	0.0	-71.87	363.68	8.24	-63.63
CN(C)C1=CC=C(CCNC(=O)N(CC(=O)[O-])C2CCCC2)C=[NH+]1	REAL300012994769	1	50	0.0	-53.52	383.32	9.14	-44.38
COCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994770	1	44	0.0	-67.71	360.77	4.05	-63.66
CCCCCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994771	1	52	0.0	-65.90	412.41	8.19	-57.71
CCC1CCC(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])CC1	REAL300012994772	1	56	0.0	-65.97	410.41	8.55	-57.42
CN(C)C1=CC=C(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300012994773	1	51	0.0	-56.07	391.85	7.52	-48.55
CN(C)C1=CC=C(CCNC(=O)N(C)C2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300012994774	1	50	0.0	-72.08	374.58	8.62	-63.46
CC(C(=O)[O-])N(C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C1CC1	REAL300012994775	1	47	0.0	-57.91	364.54	8.20	-49.71
CCC(C(=O)[O-])N(C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C1CC1	REAL300012994776	1	50	0.0	-54.34	384.51	9.32	-45.02
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C=[NH+]1	REAL300012994777	1	47	0.0	-70.87	396.29	8.31	-62.56
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C=[NH+]1	REAL300012994778	1	47	0.0	-74.11	389.46	8.04	-66.07
CN(C)C1=CC=C(CCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=[NH+]1	REAL300012994779	1	51	0.0	-60.22	398.73	10.34	-49.88
CN(C)C1=CC=C(CCNC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])C=[NH+]1	REAL300012994780	1	50	0.0	-70.92	422.01	9.14	-61.78
CN(C)C1=CC=C(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300012994781	1	56	0.0	-66.67	428.09	9.09	-57.58
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994782	1	53	0.0	-55.17	417.94	11.15	-44.02
CC1=CC=C(C(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1	REAL300012994783	1	50	0.0	-67.83	405.51	8.64	-59.19
CN(C)C1=CC=C(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=[NH+]1	REAL300012994784	1	43	0.0	-60.70	364.83	6.58	-54.12
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=[NH+]1	REAL300012994785	1	53	0.0	-69.63	430.31	10.15	-59.48
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCSCC2)C=[NH+]1	REAL300012994786	1	48	0.0	-66.03	376.34	7.72	-58.31
COCC(C)(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994787	1	47	0.0	-70.25	371.42	5.42	-64.83
CCOCC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994788	1	50	0.0	-64.40	391.43	7.07	-57.33
CC(C)CN(CC(=O)[O-])C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994789	1	49	0.0	-55.74	382.89	8.63	-47.11
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994790	1	56	0.0	-54.41	434.04	11.92	-42.49
CN(C)C1=CC=C(CCNC(=O)N(CC(=O)[O-])C2CC2)C=[NH+]1	REAL300012994791	1	44	0.0	-57.41	348.96	8.16	-49.25
CN(C)C1=CC=C(CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C=[NH+]1	REAL300012994792	1	46	0.0	-56.06	385.72	8.75	-47.31
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCOC2)C=[NH+]1	REAL300012994793	1	45	0.0	-65.67	354.57	4.28	-61.39
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C=[NH+]1	REAL300012994794	1	53	0.0	-68.64	402.78	7.97	-60.67
CN(C)C1=CC=C(CCNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C=[NH+]1	REAL300012994795	1	54	0.0	-66.80	416.90	8.58	-58.22
CN(C)C1=CC=C(CCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C=[NH+]1	REAL300012994796	1	54	0.0	-74.73	422.39	11.94	-62.79
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCOCC2)C=[NH+]1	REAL300012994797	1	48	0.0	-70.57	368.75	5.55	-65.02
C=CCCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994798	1	47	0.0	-65.68	383.20	7.20	-58.48
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994799	1	53	0.0	-71.14	415.27	11.50	-59.64
CCC(CC)(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994800	1	49	0.0	-68.62	369.86	7.03	-61.59
COC1=CC=C(C(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1	REAL300012994801	1	51	0.0	-68.98	413.63	7.19	-61.79
CCC(C)N(CC(=O)[O-])C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994802	1	49	0.0	-55.63	377.79	8.95	-46.68
CCC(COC)(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994803	1	50	0.0	-71.37	387.96	6.38	-64.99
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994804	1	53	0.0	-64.71	412.41	7.97	-56.74
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C=[NH+]1	REAL300012994805	1	50	0.0	-70.89	394.07	4.03	-66.86
CN(C)C1=CC=C(CCNC(=O)NC(CC2CC2)C(=O)[O-])C=[NH+]1	REAL300012994806	1	47	0.0	-66.01	380.04	7.31	-58.70
COCCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994807	1	47	0.0	-66.21	382.48	4.89	-61.32
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994808	1	52	0.0	-63.27	397.87	9.14	-54.13
CN(C)C1=CC=C(CCNC(=O)NC(CC(F)F)C(=O)[O-])C=[NH+]1	REAL300012994809	1	43	0.0	-61.61	359.51	6.40	-55.21
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994810	1	53	0.0	-74.66	398.38	10.22	-64.44
CCCN(C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(C)C(=O)[O-]	REAL300012994811	1	49	0.0	-71.05	380.79	9.18	-61.87
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994812	1	53	0.0	-51.66	417.07	11.45	-40.21
CCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012994813	1	53	0.0	-68.93	409.98	9.51	-59.42
COC1CCCC(C(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C1	REAL300012994814	1	57	0.0	-72.34	433.97	7.00	-65.34
CN(C)C1=CC=C(CCNC(=O)NC(CCF)C(=O)[O-])C=[NH+]1	REAL300012994815	1	43	0.0	-64.78	355.49	6.01	-58.77
COC1(CC(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])CCC1	REAL300012994816	1	54	0.0	-69.04	417.90	7.23	-61.81
CN(C)C1=CC=C(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300012994817	1	51	0.0	-56.07	391.85	7.52	-48.55
CN(C)C1=CC=C(CCNC(=O)N(CC(=O)[O-])C2CCCCC2)C=[NH+]1	REAL300012994818	1	53	0.0	-56.09	400.79	9.90	-46.19
C[C@H]1CC[C@@](NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])CC1	REAL300012994819	1	53	0.0	-71.56	391.10	8.39	-63.17
COC1=CC=CC(C(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=C1	REAL300012994820	1	51	0.0	-70.02	413.60	7.25	-62.77
CN(C)C1=CC=C(CCNC(=O)NC(C)(CCF)C(=O)[O-])C=[NH+]1	REAL300012994821	1	46	0.0	-63.02	358.88	6.32	-56.70
CN(C)C1=CC=C(CCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=[NH+]1	REAL300012994822	1	48	0.0	-57.42	380.87	8.38	-49.04
CN(C)C1=CC=C(CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012994823	1	44	0.0	-66.19	360.67	7.57	-58.62
COC1=CC=CC([C@H](NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=C1	REAL300012994824	1	51	0.0	-70.31	414.79	7.18	-63.13
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C1	REAL300012994825	1	53	0.0	-74.38	413.83	9.55	-64.83
COC1=CC=CC(CC(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=C1	REAL300012994826	1	54	0.0	-71.09	436.98	8.07	-63.02
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=[NH+]1	REAL300012994827	1	56	0.0	-72.46	405.59	8.89	-63.57
CN(C)C1=CC=C(CCNC(=O)N2CC3CC2(C(=O)[O-])C3)C=[NH+]1	REAL300012994828	1	45	0.0	-75.73	351.57	8.35	-67.38
COC1CN(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(C)(C(=O)[O-])C1	REAL300012994829	1	51	0.0	-71.96	397.16	7.26	-64.70
CN(C)C1=CC=C(CCNC(=O)NC(CC2CCCOC2)C(=O)[O-])C=[NH+]1	REAL300012994830	1	54	0.0	-66.57	419.18	6.62	-59.95
CN(C)C1=CC=C(CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=[NH+]1	REAL300012994831	1	49	0.0	-68.32	378.28	6.99	-61.33
C=C(Cl)CC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994832	1	44	0.0	-62.96	377.60	6.93	-56.03
C=C(C)CC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994833	1	47	0.0	-66.57	381.94	7.13	-59.44
CN(C)C1=CC=C(CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)C=[NH+]1	REAL300012994834	1	48	0.0	-80.56	370.49	9.12	-71.44
CN(C)C1=CC=C(CCNC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C=[NH+]1	REAL300012994835	1	53	0.0	-65.85	416.12	9.08	-56.77
CN(C)C1=CC=C(CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300012994836	1	44	0.0	-65.87	359.72	7.90	-57.97
CN(C)C1=CC=C(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300012994837	1	44	0.0	-71.72	354.01	7.52	-64.20
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C1	REAL300012994838	1	45	0.0	-73.71	361.15	7.77	-65.94
CN(C)C1=CC=C(CCNC(=O)NC(CC2CCOCC2)C(=O)[O-])C=[NH+]1	REAL300012994839	1	54	0.0	-68.78	419.67	6.59	-62.19
CC(C)C[C@H](NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994840	1	49	0.0	-68.22	386.71	7.12	-61.10
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300012994841	1	51	0.0	-71.63	393.08	5.60	-66.03
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012994842	1	47	0.0	-68.70	384.67	7.91	-60.79
CN(C)C1=CC=C(CCNC(=O)NC(CC2CC2)C(=O)[O-])C=[NH+]1	REAL300012994843	1	47	0.0	-66.01	380.04	7.31	-58.70
CN(C)C1=CC=C(CCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C=[NH+]1	REAL300012994844	1	46	0.0	-66.69	392.75	5.98	-60.71
CC(C)CCCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994845	1	55	0.0	-65.90	429.98	8.71	-57.19
CN(C)C1=CC=C(CCNC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C=[NH+]1	REAL300012994846	1	53	0.0	-71.66	436.03	9.28	-62.38
CN(C)C1=CC=C(CCNC(=O)NC(CC2CCCO2)C(=O)[O-])C=[NH+]1	REAL300012994847	1	51	0.0	-70.27	405.09	6.26	-64.01
CSCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994848	1	44	0.0	-64.39	371.86	6.15	-58.24
COC[C@H](NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994849	1	44	0.0	-69.50	360.02	4.05	-65.45
CN(C)C1=CC=C(CCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C=[NH+]1	REAL300012994850	1	50	0.0	-65.63	412.73	8.95	-56.68
CCC(C)CC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994851	1	52	0.0	-67.19	405.22	7.77	-59.42
C=CCCCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994852	1	50	0.0	-66.01	404.61	7.93	-58.08
CN(C)C1=CC=C(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C=[NH+]1	REAL300012994853	1	50	0.0	-67.19	413.83	8.84	-58.35
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=[NH+]1	REAL300012994854	1	53	0.0	-72.53	424.12	10.06	-62.47
CN(C)C1=CC=C(CCNC(=O)N2CCSCC2C(=O)[O-])C=[NH+]1	REAL300012994855	1	45	0.0	-72.71	358.70	8.69	-64.02
CN(C)C1=CC=C(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012994856	1	50	0.0	-69.48	393.09	8.66	-60.82
CN(C)C1=CC=C(CCNC(=O)N2CCC[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012994857	1	44	0.0	-73.93	348.66	7.42	-66.51
CCCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994858	1	46	0.0	-66.03	370.30	6.59	-59.44
CC(C)[C@@H](NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994859	1	46	0.0	-66.78	361.24	6.14	-60.64
CN(C)C1=CC=C(CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=[NH+]1	REAL300012994860	1	48	0.0	-78.02	367.86	9.26	-68.76
CCN(C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(C)(C)C(=O)[O-]	REAL300012994861	1	49	0.0	-68.79	373.86	8.60	-60.19
CCCN(C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(C)C(=O)[O-]	REAL300012994862	1	49	0.0	-71.05	380.79	9.18	-61.87
CN(C)C1=CC=C(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=[NH+]1	REAL300012994863	1	43	0.0	-62.04	360.70	8.13	-53.91
CN(C)C1=CC=C(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=[NH+]1	REAL300012994864	1	43	0.0	-62.04	360.70	8.13	-53.91
CN(C)C1=CC=C(CCNC(=O)N(C)C(C)(C)C(=O)[O-])C=[NH+]1	REAL300012994865	1	46	0.0	-69.12	354.18	7.67	-61.45
CN(C)C1=CC=C(CCNC(=O)N2CCC[C@H]2C(=O)[O-])C=[NH+]1	REAL300012994866	1	44	0.0	-73.55	346.91	7.72	-65.83
CN(C)C1=CC=C(CCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C=[NH+]1	REAL300012994867	1	56	0.0	-57.02	434.42	6.09	-50.93
CN(C)C1=CC=C(CCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012994868	1	45	0.0	-74.19	359.82	3.98	-70.21
CN(C)C1=CC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300012994869	0	60	0.0	-62.45	456.11	7.78	-54.67
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994870	1	51	0.0	-54.16	401.24	10.74	-43.42
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)[C@H]1C(=O)[O-]	REAL300012994871	1	54	0.0	-60.63	411.81	10.87	-49.76
CCC[C@@H](NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994872	1	46	0.0	-67.35	370.39	6.64	-60.71
CN(C)C1=CC=C(CCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C=[NH+]1	REAL300012994873	1	52	0.0	-66.80	404.00	9.01	-57.79
CN(C)C1=CC=C(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012994874	1	47	0.0	-67.79	384.10	7.96	-59.83
CN(C)C1=CC=C(CCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C=[NH+]1	REAL300012994875	1	52	0.0	-67.84	424.20	7.89	-59.95
C=CCCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994876	1	47	0.0	-65.68	383.20	7.20	-58.48
CN(C)C1=CC=C(CCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C=[NH+]1	REAL300012994877	1	46	0.0	-68.91	392.71	5.90	-63.01
CN(C)C1=CC=C(CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C=[NH+]1	REAL300012994878	1	47	0.0	-64.31	413.60	7.64	-56.67
CN(C)C1=CC=C(CCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C=[NH+]1	REAL300012994879	1	47	0.0	-81.76	378.30	5.24	-76.52
CN(C)C1=CC=C(CCNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C=[NH+]1	REAL300012994880	1	48	0.0	-67.85	375.84	6.96	-60.89
CN(C)C1=CC=C(CCNC(=O)N2CCC[C@]2(C)C(=O)[O-])C=[NH+]1	REAL300012994881	1	47	0.0	-73.39	364.89	8.23	-65.16
CC(C)[C@H](NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994882	1	46	0.0	-68.30	360.86	6.13	-62.17
CN(C)C1=CC=C(CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300012994883	1	47	0.0	-67.52	383.30	7.90	-59.62
CN(C)C1=CC=C(CCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=[NH+]1	REAL300012994884	1	50	0.0	-69.51	393.39	7.21	-62.30
CCC[C@H](NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994885	1	46	0.0	-67.19	368.82	6.58	-60.61
CCN(C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(C)C(=O)[O-]	REAL300012994886	1	46	0.0	-62.93	356.34	7.55	-55.38
CN(C)C1=CC=C(CCNC(=O)N(CC(=O)[O-])C2CCCC2)C=[NH+]1	REAL300012994887	1	50	0.0	-53.52	383.32	9.14	-44.38
CC(CN(C)C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994888	1	46	0.0	-70.84	361.33	7.52	-63.32
CC[C@H](C)[C@H](NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994889	1	49	0.0	-68.87	379.40	6.77	-62.10
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994890	1	46	0.0	-64.48	359.61	8.02	-56.46
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)C=[NH+]1	REAL300012994891	1	48	0.0	-72.10	382.43	3.76	-68.34
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994892	1	56	0.0	-70.60	432.15	7.07	-63.53
CC1CCC(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])C1	REAL300012994893	1	50	0.0	-71.43	383.84	7.54	-63.89
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C=[NH+]1	REAL300012994894	1	53	0.0	-71.82	393.53	8.29	-63.53
COCCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994895	1	47	0.0	-66.21	382.48	4.89	-61.32
CN(C)C1=CC=C(CCNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012994896	1	53	0.0	-65.87	416.53	10.80	-55.07
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=[NH+]1	REAL300012994897	1	50	0.0	-72.52	385.32	8.22	-64.30
CC1CCC(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012994898	1	57	0.0	-72.51	434.08	10.26	-62.25
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2(C)CC2)C=[NH+]1	REAL300012994899	1	47	0.0	-69.61	376.23	6.85	-62.76
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994900	1	56	0.0	-68.90	431.90	7.03	-61.87
CN(C)C1=CC=C(CCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012994901	1	45	0.0	-79.63	357.46	4.21	-75.42
CN(C)C1=CC=C(CCNC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])C=[NH+]1	REAL300012994902	1	55	0.0	-59.82	426.47	11.42	-48.40
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCOC2)C=[NH+]1	REAL300012994903	1	48	0.0	-67.59	374.89	4.76	-62.83
CN(C)C1=CC=C(CCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=[NH+]1	REAL300012994904	1	48	0.0	-76.02	370.07	8.86	-67.16
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C=[NH+]1	REAL300012994905	1	51	0.0	-75.76	416.08	7.96	-67.80
CN(C)C1=CC=C(CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)C=[NH+]1	REAL300012994906	1	46	0.0	-73.38	360.96	6.53	-66.85
CC1CCC(C(=O)[O-])N(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C1	REAL300012994907	1	50	0.0	-75.08	378.86	9.51	-65.57
CC(C1=CC=CC=C1)C(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994908	1	53	0.0	-66.48	422.66	9.18	-57.30
CN(C)C1=CC=C(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=[NH+]1	REAL300012994909	1	54	0.0	-66.43	416.38	9.61	-56.82
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCC2)C=[NH+]1	REAL300012994910	1	47	0.0	-66.63	372.88	6.87	-59.76
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)C=[NH+]1	REAL300012994911	1	60	0.0	-70.41	441.19	8.69	-61.72
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C=[NH+]1	REAL300012994912	1	53	0.0	-68.64	402.78	7.97	-60.67
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCC2)C=[NH+]1	REAL300012994913	1	47	0.0	-66.63	372.88	6.87	-59.76
CC1CCN(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C1C(=O)[O-]	REAL300012994914	1	47	0.0	-72.96	362.94	7.89	-65.07
C=CCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994915	1	44	0.0	-66.18	361.43	6.26	-59.92
CN(C)C1=CC=C(CCNC(=O)NC(CC2CCCCO2)C(=O)[O-])C=[NH+]1	REAL300012994916	1	54	0.0	-71.48	423.34	7.00	-64.48
CN(C)C1=CC=C(CCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=[NH+]1	REAL300012994917	1	54	0.0	-52.34	394.44	9.54	-42.80
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C=[NH+]1	REAL300012994918	1	54	0.0	-69.71	397.82	6.85	-62.86
CC1=CC=CC2=C1CCN(C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C2C(=O)[O-]	REAL300012994919	1	54	0.0	-57.39	416.42	10.83	-46.56
CN(C)C1=CC=C(CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=[NH+]1	REAL300012994920	1	48	0.0	-52.08	369.70	8.74	-43.34
CN(C)C1=CC=C(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=[NH+]1	REAL300012994921	1	54	0.0	-66.43	416.38	9.61	-56.82
CN(C)C1=CC=C(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=[NH+]1	REAL300012994922	1	50	0.0	-69.27	413.00	8.89	-60.38
COC1CC(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])C1	REAL300012994923	1	48	0.0	-74.21	382.36	5.48	-68.73
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=[NH+]1	REAL300012994924	1	44	0.0	-68.79	357.56	6.56	-62.23
CO[C@H]1C[C@](NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])C1	REAL300012994925	1	48	0.0	-69.79	381.23	5.78	-64.01
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C=[NH+]1	REAL300012994926	1	47	0.0	-62.27	388.66	7.31	-54.96
CCC1(C(=O)[O-])CCCN1C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994927	1	50	0.0	-74.24	377.31	9.49	-64.75
CN(C)C1=CC=C(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=[NH+]1	REAL300012994928	1	43	0.0	-60.70	364.83	6.58	-54.12
CN(C)C1=CC=C(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C=[NH+]1	REAL300012994929	1	51	0.0	-67.06	399.84	5.53	-61.53
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])COC2)C=[NH+]1	REAL300012994930	1	42	0.0	-64.78	339.96	3.57	-61.21
CN(C)C1=CC=C(CCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C=[NH+]1	REAL300012994931	1	47	0.0	-68.98	398.46	7.87	-61.11
COCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012994932	1	54	0.0	-67.55	426.19	7.83	-59.72
CC(C)C(C)(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994933	1	49	0.0	-68.36	369.03	6.86	-61.50
CN(C)C1=CC=C(CCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012994934	1	45	0.0	-77.07	355.48	8.83	-68.24
CN(C)C1=CC=C(CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012994935	1	48	0.0	-74.31	370.12	8.31	-66.00
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994936	1	53	0.0	-51.66	417.07	11.45	-40.21
CN(C)C1=CC=C(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300012994937	1	56	0.0	-66.67	428.09	9.09	-57.58
CN(C)C1=CC=C(CCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012994938	1	53	0.0	-68.33	429.72	9.61	-58.72
CN(C)C1=CC=C(CCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012994939	1	53	0.0	-67.37	430.45	9.56	-57.81
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=[NH+]1	REAL300012994940	1	54	0.0	-70.62	410.44	8.46	-62.16
CN(C)C1=CC=C(CCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300012994941	1	56	0.0	-66.64	429.13	9.03	-57.61
CN(C)C1=CC=C(CCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300012994942	1	56	0.0	-68.64	429.48	9.02	-59.62
CN(C)C1=CC=C(CCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=[NH+]1	REAL300012994943	1	54	0.0	-53.58	409.68	9.64	-43.94
CN(C)C1=CC=C(CCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012994944	1	54	0.0	-76.28	405.35	9.37	-66.91
COC1=CC=C(CC(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1	REAL300012994945	1	54	0.0	-68.84	436.91	8.08	-60.76
C=CCSCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994946	1	48	0.0	-63.88	406.78	7.63	-56.25
CN(C)C1=CC=C(CCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C=[NH+]1	REAL300012994947	1	51	0.0	-67.64	426.18	9.20	-58.44
CCC(C(=O)[O-])N(CC)C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994948	1	49	0.0	-63.69	372.87	8.61	-55.08
COC1(C(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])CCC1	REAL300012994949	1	51	0.0	-65.14	395.09	5.44	-59.70
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C=[NH+]1	REAL300012994950	1	53	0.0	-67.45	410.18	8.77	-58.68
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C=[NH+]1	REAL300012994951	1	54	0.0	-70.30	416.52	9.90	-60.40
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C=[NH+]1	REAL300012994952	1	47	0.0	-67.41	379.39	7.25	-60.16
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=[NH+]1	REAL300012994954	1	59	0.0	-68.35	459.74	10.24	-58.11
CC(C)C1=CC=C(C(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1	REAL300012994955	1	56	0.0	-68.33	443.76	9.85	-58.48
CN(C)C1=CC=C(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300012994956	1	44	0.0	-71.72	354.01	7.52	-64.20
CN(C)C1=CC=C(CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=[NH+]1	REAL300012994957	1	46	0.0	-53.98	362.85	8.55	-45.43
CN(C)C1=CC=C(CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])C=[NH+]1	REAL300012994958	1	50	0.0	-74.46	380.23	8.68	-65.78
CCOC1=CC=C(C(NC(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1	REAL300012994959	1	54	0.0	-68.80	435.27	8.09	-60.71
CN(C)C1=CC=C(CCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C=[NH+]1	REAL300012994960	1	54	0.0	-74.42	403.45	10.39	-64.03
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C=[NH+]1	REAL300012994961	1	54	0.0	-66.70	425.75	9.77	-56.93
CN(C)C1=CC=C(CCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012994962	1	54	0.0	-73.49	427.73	8.92	-64.57
CN(C)C1=CC=C(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])C=[NH+]1	REAL300012994963	1	50	0.0	-70.83	420.69	8.82	-62.01
CC(C)CCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994964	1	52	0.0	-66.52	408.72	7.86	-58.66
CN(C)C1=CC=C(CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=[NH+]1	REAL300012994965	1	51	0.0	-54.23	394.72	9.15	-45.08
CN(C)C1=CC=C(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C=[NH+]1	REAL300012994966	1	51	0.0	-67.06	399.84	5.53	-61.53
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C1	REAL300012994967	1	48	0.0	-70.03	391.09	8.88	-61.15
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)C=[NH+]1	REAL300012994968	1	51	0.0	-73.42	384.40	8.62	-64.80
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCC3CC32)C=[NH+]1	REAL300012994969	1	48	0.0	-73.00	371.54	7.71	-65.29
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=[NH+]1	REAL300012994970	1	51	0.0	-69.65	392.80	8.10	-61.55
CN(C)C1=CC=C(CCNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300012994971	1	53	0.0	-66.29	418.15	10.88	-55.41
CN(C)C1=CC=C(CCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C=[NH+]1	REAL300012994972	1	57	0.0	-53.70	422.85	10.18	-43.52
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCCC2)C=[NH+]1	REAL300012994973	1	50	0.0	-67.01	385.30	7.40	-59.61
CO[C@H](C)[C@H](NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994974	1	47	0.0	-68.80	377.67	5.04	-63.76
CC1[C@@H](C)[C@@]1(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994975	1	47	0.0	-72.60	371.19	7.54	-65.06
CN(C)C1=CC=C(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=[NH+]1	REAL300012994976	1	50	0.0	-56.47	406.06	10.63	-45.84
CN(C)C1=CC=C(CCNC(=O)N2CC(C)(C)CC2C(=O)[O-])C=[NH+]1	REAL300012994977	1	50	0.0	-51.56	386.40	8.50	-43.06
CN(C)C1=CC=C(CCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C=[NH+]1	REAL300012994978	1	47	0.0	-72.52	368.73	8.85	-63.67
CN(C)C1=CC=C(CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])C=[NH+]1	REAL300012994979	1	44	0.0	-76.80	358.21	7.84	-68.96
CN(C)C1=CC=C(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=[NH+]1	REAL300012994980	1	50	0.0	-69.27	413.00	8.89	-60.38
CN(C)C1=CC=C(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=[NH+]1	REAL300012994981	1	47	0.0	-66.22	396.87	7.79	-58.43
CN(C)C1=CC=C(CCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=[NH+]1	REAL300012994982	1	47	0.0	-66.50	376.10	8.39	-58.11
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C=[NH+]1	REAL300012994983	1	51	0.0	-70.47	411.34	8.55	-61.92
CN(C)C1=CC=C(CCNC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300012994984	1	55	0.0	-72.59	436.14	10.20	-62.39
CN(C)C1=CC=C(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=[NH+]1	REAL300012994985	1	47	0.0	-66.22	396.87	7.79	-58.43
CN(C)C1=CC=C(CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012994986	1	51	0.0	-76.38	384.40	8.88	-67.50
COCCCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994987	1	50	0.0	-66.11	404.22	5.60	-60.51
CCCC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(N(C)C)[NH+]=C1	REAL300012994988	1	49	0.0	-63.37	381.51	8.57	-54.80
CCOCC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300012994989	1	47	0.0	-68.13	381.73	5.07	-63.06
CN(C)C1=CC=C(CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=[NH+]1	REAL300012994990	1	52	0.0	-68.50	399.89	8.16	-60.34
CN(C)C1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCCCO2)C=[NH+]1	REAL300012994991	1	51	0.0	-68.69	397.87	5.97	-62.72
CN(C)C1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=[NH+]1	REAL300012994992	1	51	0.0	-70.15	404.76	9.14	-61.01
C[C@H]1OCCN(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)[C@@H]1C(=O)[O-]	REAL300012994993	1	48	0.0	-72.94	368.94	6.96	-65.98
CN(C)C1=CC=C(CCNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])C=[NH+]1	REAL300012994994	1	50	0.0	-65.76	389.90	8.70	-57.06
CN(C)C1=CC=C(CCNC(=O)NC(CCC#N)C(=O)[O-])C=[NH+]1	REAL300012994995	1	44	0.0	-67.23	369.65	6.33	-60.90
CN(C)C1=CC=C(CCNC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])C=[NH+]1	REAL300012994996	1	53	0.0	-70.75	437.24	9.13	-61.62
CN(C)C1=CC=C(CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C=[NH+]1	REAL300012994997	1	47	0.0	-57.28	386.75	8.76	-48.52
CN(C)C1=CC=C(CCNC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])C=[NH+]1	REAL300012994998	1	58	0.0	-74.02	421.16	9.30	-64.72
CN(C)C1=CC=C(CCNC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])C=[NH+]1	REAL300012994999	1	49	0.0	-63.98	417.93	7.43	-56.55
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC2=CC=C(N(C)C)[NH+]=C2)C1	REAL300012995000	1	51	0.0	-72.98	402.60	7.40	-65.58
CC(C)C[C@H](NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995001	0	51	0.0	-65.33	373.27	7.10	-58.23
CC(C)C[C@H](NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995001	1	51	0.0	-67.60	370.18	7.02	-60.58
C=CCOCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995002	0	50	0.0	-64.09	381.92	5.67	-58.42
C=CCOCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995002	1	50	0.0	-66.81	380.68	5.64	-61.17
C=CC(C)C(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995003	0	49	0.0	-66.70	360.43	6.67	-60.03
C=CC(C)C(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995003	1	49	0.0	-62.00	366.98	6.99	-55.01
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC12CCCC2	REAL300012995004	0	53	0.0	-66.05	379.92	5.64	-60.41
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC12CCCC2	REAL300012995004	1	53	0.0	-63.19	378.11	5.67	-57.52
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC12CCCC2	REAL300012995005	0	49	0.0	-62.65	383.72	8.05	-54.60
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC12CCCC2	REAL300012995005	1	49	0.0	-64.09	383.70	7.91	-56.18
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC12CCCC2	REAL300012995006	0	49	0.0	-62.89	394.21	8.47	-54.42
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC12CCCC2	REAL300012995006	1	49	0.0	-63.71	393.59	8.36	-55.35
COC1CCN(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(C(=O)[O-])C1	REAL300012995007	0	53	0.0	-68.29	376.10	7.68	-60.61
COC1CCN(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(C(=O)[O-])C1	REAL300012995007	1	53	0.0	-71.77	375.96	7.63	-64.14
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC12CCCC2	REAL300012995008	0	53	0.0	-66.56	380.06	5.71	-60.85
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC12CCCC2	REAL300012995008	1	53	0.0	-67.11	380.77	5.87	-61.24
CC1CCN(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(C(=O)[O-])C1	REAL300012995009	0	52	0.0	-68.11	357.86	9.05	-59.06
CC1CCN(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(C(=O)[O-])C1	REAL300012995009	1	52	0.0	-73.25	359.46	9.13	-64.12
CC1=CC(C(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])=CC=C1F	REAL300012995010	0	52	0.0	-64.96	398.37	8.60	-56.36
CC1=CC(C(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])=CC=C1F	REAL300012995010	1	52	0.0	-60.51	397.91	8.41	-52.10
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC12CCCC2	REAL300012995011	0	54	0.0	-68.44	407.26	7.83	-60.61
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC12CCCC2	REAL300012995011	1	54	0.0	-62.08	406.30	7.72	-54.36
CC1=CC(C)=CC(C(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])=C1	REAL300012995012	0	55	0.0	-64.14	414.20	9.31	-54.83
CC1=CC(C)=CC(C(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])=C1	REAL300012995012	1	55	0.0	-68.24	414.06	9.03	-59.21
CC1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1C	REAL300012995013	0	55	0.0	-67.99	409.44	9.13	-58.86
CC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1C	REAL300012995013	1	55	0.0	-62.50	408.54	9.16	-53.34
COC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1Cl	REAL300012995014	0	53	0.0	-65.61	415.88	7.72	-57.89
COC1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1Cl	REAL300012995014	1	53	0.0	-65.31	416.54	7.79	-57.52
CC1=CC=CC(C(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])=C1C	REAL300012995015	0	55	0.0	-67.80	400.65	8.93	-58.87
CC1=CC=CC(C(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])=C1C	REAL300012995015	1	55	0.0	-63.70	404.50	8.89	-54.81
COC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1F	REAL300012995016	0	53	0.0	-66.15	405.83	7.32	-58.83
COC1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1F	REAL300012995016	1	53	0.0	-65.84	406.74	7.30	-58.54
CC(C(=O)[O-])N(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C1CCC1	REAL300012995017	0	52	0.0	-52.68	368.73	8.82	-43.86
CC(C(=O)[O-])N(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C1CCC1	REAL300012995017	1	52	0.0	-58.43	367.25	8.69	-49.74
CCCN(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(COC)C(=O)[O-]	REAL300012995018	0	55	0.0	-67.18	395.25	9.38	-57.80
CCCN(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(COC)C(=O)[O-]	REAL300012995018	1	55	0.0	-69.42	397.46	9.25	-60.17
CCCN(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(CC)C(=O)[O-]	REAL300012995019	0	54	0.0	-63.63	379.85	9.24	-54.39
CCCN(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(CC)C(=O)[O-]	REAL300012995019	1	54	0.0	-61.00	381.65	9.36	-51.64
C[N@@H+]1CC(NC(=O)N2CCCCC2C(=O)[O-])CC12CCCC2	REAL300012995020	0	49	0.0	-71.93	345.11	8.78	-63.15
C[N@H+]1CC(NC(=O)N2CCCCC2C(=O)[O-])CC12CCCC2	REAL300012995020	1	49	0.0	-68.87	344.15	8.87	-60.00
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC12CCCC2	REAL300012995021	0	49	0.0	-64.77	387.71	8.46	-56.31
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC12CCCC2	REAL300012995021	1	49	0.0	-62.79	387.07	8.39	-54.40
C[N@@H+]1CC(NC(=O)N2CCSCC2C(=O)[O-])CC12CCCC2	REAL300012995022	0	47	0.0	-70.61	345.99	9.00	-61.61
C[N@H+]1CC(NC(=O)N2CCSCC2C(=O)[O-])CC12CCCC2	REAL300012995022	1	47	0.0	-66.60	344.22	8.82	-57.78
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC12CCCC2	REAL300012995023	0	52	0.0	-64.74	365.04	8.06	-56.68
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC12CCCC2	REAL300012995023	1	52	0.0	-62.48	363.65	8.01	-54.47
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC2)CC12CCCC2	REAL300012995024	0	49	0.0	-64.02	350.84	6.74	-57.28
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC2)CC12CCCC2	REAL300012995024	1	49	0.0	-71.56	350.24	6.96	-64.60
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC12CCCC2	REAL300012995025	0	55	0.0	-68.74	369.60	8.71	-60.03
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC12CCCC2	REAL300012995025	1	55	0.0	-72.62	370.44	8.69	-63.93
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC12CCCC2	REAL300012995026	0	52	0.0	-69.49	393.79	8.85	-60.64
C[N@H+]1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC12CCCC2	REAL300012995026	1	52	0.0	-61.64	392.35	8.88	-52.76
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC12CCCC2	REAL300012995027	0	52	0.0	-55.74	389.51	10.50	-45.24
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC12CCCC2	REAL300012995027	1	52	0.0	-49.66	391.98	10.45	-39.21
C[N@@H+]1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC12CCCC2	REAL300012995028	0	49	0.0	-62.21	368.25	7.86	-54.35
C[N@H+]1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC12CCCC2	REAL300012995028	1	49	0.0	-61.74	370.09	7.96	-53.78
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC12CCCC2	REAL300012995029	0	49	0.0	-68.51	371.58	7.90	-60.61
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC12CCCC2	REAL300012995029	1	49	0.0	-66.02	370.33	7.87	-58.15
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC12CCCC2	REAL300012995030	0	52	0.0	-69.49	393.79	8.85	-60.64
C[N@H+]1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC12CCCC2	REAL300012995030	1	52	0.0	-61.64	392.35	8.88	-52.76
CCC(C)C(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995031	0	51	0.0	-61.27	364.64	6.57	-54.70
CCC(C)C(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995031	1	51	0.0	-63.55	370.43	7.05	-56.50
C[N@@H+]1CC(NC(=O)N2CCCCC2C(=O)[O-])CC12CCCC2	REAL300012995032	0	49	0.0	-71.93	345.11	8.78	-63.15
C[N@H+]1CC(NC(=O)N2CCCCC2C(=O)[O-])CC12CCCC2	REAL300012995032	1	49	0.0	-68.87	344.15	8.87	-60.00
CCCC(C)(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995033	0	51	0.0	-66.15	360.70	6.75	-59.40
CCCC(C)(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995033	1	51	0.0	-66.92	357.96	6.82	-60.10
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995034	0	51	0.0	-49.34	369.15	8.72	-40.62
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995034	1	51	0.0	-48.71	368.54	8.53	-40.18
C[N@@H+]1CC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC12CCCC2	REAL300012995035	0	53	0.0	-73.36	383.89	11.03	-62.33
C[N@H+]1CC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC12CCCC2	REAL300012995035	1	53	0.0	-72.92	384.18	10.67	-62.25
C[N@@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC12CCCC2	REAL300012995036	0	49	0.0	-67.15	349.40	6.75	-60.40
C[N@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC12CCCC2	REAL300012995036	1	49	0.0	-59.88	349.21	7.12	-52.76
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC12CCCC2	REAL300012995037	0	46	0.0	-65.64	362.23	6.88	-58.76
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC12CCCC2	REAL300012995037	1	46	0.0	-60.62	361.98	6.96	-53.66
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC12CCCC2	REAL300012995038	0	52	0.0	-64.74	365.04	8.06	-56.68
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC12CCCC2	REAL300012995038	1	52	0.0	-62.48	363.65	8.01	-54.47
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC12CCCC2	REAL300012995039	0	52	0.0	-47.58	408.36	11.00	-36.58
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC12CCCC2	REAL300012995039	1	52	0.0	-47.25	407.82	11.14	-36.11
C[N@@H+]1CC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC12CCCC2	REAL300012995040	0	56	0.0	-69.66	422.92	8.92	-60.74
C[N@H+]1CC(NC(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC12CCCC2	REAL300012995040	1	56	0.0	-65.82	421.27	8.91	-56.91
CC[C@H](C)[C@H](NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995041	0	51	0.0	-64.50	364.21	6.75	-57.75
CC[C@H](C)[C@H](NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995041	1	51	0.0	-67.29	361.90	6.64	-60.65
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC2)CC12CCCC2	REAL300012995042	0	49	0.0	-64.02	350.84	6.74	-57.28
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC2)CC12CCCC2	REAL300012995042	1	49	0.0	-71.56	350.24	6.96	-64.60
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC12CCCC2	REAL300012995043	0	52	0.0	-47.95	398.04	10.54	-37.41
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC12CCCC2	REAL300012995043	1	52	0.0	-47.50	397.49	10.69	-36.81
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC12CCCC2	REAL300012995044	0	53	0.0	-64.31	391.32	9.01	-55.30
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC12CCCC2	REAL300012995044	1	53	0.0	-61.81	388.33	9.06	-52.75
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC12CCCC2	REAL300012995045	0	49	0.0	-64.26	382.44	8.06	-56.20
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC12CCCC2	REAL300012995045	1	49	0.0	-66.43	381.18	8.03	-58.40
C[N@@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC12CCCC2	REAL300012995046	0	52	0.0	-68.72	379.40	8.68	-60.04
C[N@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC12CCCC2	REAL300012995046	1	52	0.0	-62.42	378.97	8.46	-53.96
CCCCCCC(C)(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995047	0	60	0.0	-66.25	425.19	9.08	-57.17
CCCCCCC(C)(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995047	1	60	0.0	-67.03	422.46	9.16	-57.87
CN(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012995048	0	55	0.0	-61.14	402.28	10.92	-50.22
CN(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012995048	1	55	0.0	-68.28	402.38	10.77	-57.51
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC12CCCC2	REAL300012995049	0	49	0.0	-64.77	387.71	8.46	-56.31
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC12CCCC2	REAL300012995049	1	49	0.0	-62.79	387.07	8.39	-54.40
C[N@@H+]1CC(NC(=O)N2CCOCC2C(=O)[O-])CC12CCCC2	REAL300012995050	0	47	0.0	-65.99	335.53	6.37	-59.62
C[N@H+]1CC(NC(=O)N2CCOCC2C(=O)[O-])CC12CCCC2	REAL300012995050	1	47	0.0	-67.06	335.53	6.41	-60.65
CN(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C1(C(=O)[O-])CCCCC1	REAL300012995051	0	55	0.0	-74.18	377.43	9.53	-64.65
CN(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C1(C(=O)[O-])CCCCC1	REAL300012995051	1	55	0.0	-70.24	373.22	9.37	-60.87
C[N@@H+]1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC12CCCC2	REAL300012995052	0	55	0.0	-56.80	414.79	11.42	-45.38
C[N@H+]1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC12CCCC2	REAL300012995052	1	55	0.0	-50.51	414.39	11.23	-39.28
CN(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012995053	0	52	0.0	-65.66	378.18	9.28	-56.38
CN(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300012995053	1	52	0.0	-62.53	379.30	9.49	-53.04
COCCN(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995054	0	49	0.0	-49.83	364.09	7.21	-42.62
COCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995054	1	49	0.0	-50.33	364.01	6.65	-43.68
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC12CCCC2	REAL300012995055	0	53	0.0	-66.75	386.51	9.00	-57.75
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)CC12CCCC2	REAL300012995055	1	53	0.0	-65.45	385.90	8.76	-56.69
C[N@@H+]1CC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995056	0	49	0.0	-71.13	345.08	8.73	-62.40
C[N@H+]1CC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995056	1	49	0.0	-72.28	348.29	8.87	-63.41
C[N@@H+]1CC(NC(=O)N2CCCC2(C)C(=O)[O-])CC12CCCC2	REAL300012995057	0	49	0.0	-65.04	350.71	8.08	-56.96
C[N@H+]1CC(NC(=O)N2CCCC2(C)C(=O)[O-])CC12CCCC2	REAL300012995057	1	49	0.0	-64.58	350.49	8.26	-56.32
C[N@@H+]1CC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC12CCCC2	REAL300012995058	0	56	0.0	-69.98	427.52	8.86	-61.12
C[N@H+]1CC(NC(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)[O-])CC12CCCC2	REAL300012995058	1	56	0.0	-67.87	426.24	8.83	-59.04
C[N@@H+]1CC(NC(=O)N2CCCCCC2C(=O)[O-])CC12CCCC2	REAL300012995059	0	52	0.0	-69.04	357.62	9.30	-59.74
C[N@H+]1CC(NC(=O)N2CCCCCC2C(=O)[O-])CC12CCCC2	REAL300012995059	1	52	0.0	-70.58	361.58	9.55	-61.03
CCCCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995060	0	51	0.0	-66.72	377.81	7.24	-59.48
CCCCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995060	1	51	0.0	-61.00	376.87	7.21	-53.79
C[N@@H+]1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC12CCCC2	REAL300012995061	0	55	0.0	-56.80	414.79	11.42	-45.38
C[N@H+]1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC12CCCC2	REAL300012995061	1	55	0.0	-50.51	414.39	11.23	-39.28
C[N@@H+]1CC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC12CCCC2	REAL300012995062	0	49	0.0	-65.04	350.65	8.09	-56.95
C[N@H+]1CC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC12CCCC2	REAL300012995062	1	49	0.0	-69.17	350.44	8.23	-60.94
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC12CCCC2	REAL300012995063	0	52	0.0	-47.69	370.91	9.29	-38.40
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC12CCCC2	REAL300012995063	1	52	0.0	-47.36	371.15	9.35	-38.01
CCCCCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995064	0	54	0.0	-66.68	399.31	8.02	-58.66
CCCCCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995064	1	54	0.0	-61.84	399.20	7.98	-53.86
CCC1CCC(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)(C(=O)[O-])CC1	REAL300012995065	0	58	0.0	-58.24	396.47	8.54	-49.70
CCC1CCC(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)(C(=O)[O-])CC1	REAL300012995065	1	58	0.0	-71.53	404.11	9.31	-62.22
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC12CCCC2	REAL300012995066	0	53	0.0	-55.65	378.15	7.54	-48.11
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC12CCCC2	REAL300012995066	1	53	0.0	-49.03	377.80	7.35	-41.68
CN(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C1(C(=O)[O-])CCCC1	REAL300012995067	0	52	0.0	-70.73	359.71	8.59	-62.14
CN(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C1(C(=O)[O-])CCCC1	REAL300012995067	1	52	0.0	-64.81	360.30	8.68	-56.13
CC(C(=O)[O-])N(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C1CC1	REAL300012995068	0	49	0.0	-50.81	351.40	8.34	-42.47
CC(C(=O)[O-])N(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C1CC1	REAL300012995068	1	49	0.0	-53.03	352.52	8.16	-44.87
CCC(C(=O)[O-])N(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C1CC1	REAL300012995069	0	52	0.0	-58.66	370.95	9.38	-49.28
CCC(C(=O)[O-])N(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C1CC1	REAL300012995069	1	52	0.0	-53.50	371.57	9.44	-44.06
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC12CCCC2	REAL300012995070	0	49	0.0	-68.11	382.36	8.23	-59.88
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)CC12CCCC2	REAL300012995070	1	49	0.0	-66.90	381.11	8.34	-58.56
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC12CCCC2	REAL300012995071	0	49	0.0	-71.71	375.04	7.89	-63.82
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)CC12CCCC2	REAL300012995071	1	49	0.0	-70.58	374.53	8.03	-62.55
C[N@@H+]1CC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC12CCCC2	REAL300012995072	0	53	0.0	-57.20	386.59	10.33	-46.87
C[N@H+]1CC(NC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC12CCCC2	REAL300012995072	1	53	0.0	-54.16	385.80	10.20	-43.96
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC12CCCC2	REAL300012995073	0	52	0.0	-72.21	405.24	9.10	-63.11
C[N@H+]1CC(NC(=O)NC(CC2=CC=CC=C2Cl)C(=O)[O-])CC12CCCC2	REAL300012995073	1	52	0.0	-66.41	408.65	8.95	-57.46
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC12CCCC2	REAL300012995074	0	58	0.0	-72.65	437.46	10.84	-61.81
C[N@H+]1CC(NC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC12CCCC2	REAL300012995074	1	58	0.0	-69.38	435.99	10.88	-58.50
C[N@@H+]1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC12CCCC2	REAL300012995075	0	58	0.0	-61.53	414.20	8.86	-52.67
C[N@H+]1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC12CCCC2	REAL300012995075	1	58	0.0	-60.82	414.31	9.09	-51.73
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995076	0	55	0.0	-54.78	403.68	11.43	-43.35
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995076	1	55	0.0	-54.69	404.33	11.22	-43.47
CC1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1	REAL300012995077	0	52	0.0	-68.51	392.99	8.58	-59.93
CC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1	REAL300012995077	1	52	0.0	-63.39	392.60	8.39	-55.00
C[N@@H+]1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC12CCCC2	REAL300012995078	0	45	0.0	-56.18	349.80	6.37	-49.81
C[N@H+]1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC12CCCC2	REAL300012995078	1	45	0.0	-57.33	350.99	6.33	-51.00
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC12CCCC2	REAL300012995079	0	55	0.0	-64.33	417.37	10.24	-54.09
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC12CCCC2	REAL300012995079	1	55	0.0	-68.79	417.22	9.97	-58.82
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC12CCCC2	REAL300012995080	0	50	0.0	-61.66	362.73	7.75	-53.91
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC12CCCC2	REAL300012995080	1	50	0.0	-68.12	362.49	7.71	-60.41
COCC(C)(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995081	0	49	0.0	-64.56	357.44	5.28	-59.28
COCC(C)(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995081	1	49	0.0	-64.49	354.70	5.35	-59.14
CCOCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995082	0	52	0.0	-60.49	376.69	7.23	-53.26
CCOCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995082	1	52	0.0	-61.85	378.44	7.23	-54.62
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995083	0	51	0.0	-49.34	369.15	8.72	-40.62
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995083	1	51	0.0	-48.71	368.54	8.53	-40.18
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995084	0	58	0.0	-48.43	411.21	11.15	-37.28
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995084	1	58	0.0	-45.05	413.13	11.19	-33.86
C[N@@H+]1CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC12CCCC2	REAL300012995085	0	48	0.0	-49.36	372.26	8.61	-40.75
C[N@H+]1CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC12CCCC2	REAL300012995085	1	48	0.0	-49.61	372.62	8.58	-41.03
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCOC2)CC12CCCC2	REAL300012995086	0	47	0.0	-61.51	341.13	4.39	-57.12
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCOC2)CC12CCCC2	REAL300012995086	1	47	0.0	-58.72	341.22	4.50	-54.22
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC12CCCC2	REAL300012995087	0	55	0.0	-63.21	386.06	7.91	-55.30
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC12CCCC2	REAL300012995087	1	55	0.0	-61.59	387.84	8.16	-53.43
CN(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(COC1CCC1)C(=O)[O-]	REAL300012995088	0	56	0.0	-64.50	404.30	8.59	-55.91
CN(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(COC1CCC1)C(=O)[O-]	REAL300012995088	1	56	0.0	-67.08	405.58	8.63	-58.45
C[N@@H+]1CC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC12CCCC2	REAL300012995089	0	56	0.0	-67.22	410.04	11.69	-55.53
C[N@H+]1CC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC12CCCC2	REAL300012995089	1	56	0.0	-69.39	412.18	11.86	-57.53
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC12CCCC2	REAL300012995090	0	50	0.0	-64.41	356.47	5.58	-58.83
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC12CCCC2	REAL300012995090	1	50	0.0	-62.25	355.18	5.52	-56.73
C=CCCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995091	0	49	0.0	-67.67	369.76	7.16	-60.51
C=CCCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995091	1	49	0.0	-66.53	369.13	7.02	-59.51
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995092	0	55	0.0	-51.78	401.40	11.39	-40.39
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995092	1	55	0.0	-39.11	398.81	11.48	-27.63
CCC(CC)(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995093	0	51	0.0	-65.15	354.95	7.06	-58.09
CCC(CC)(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995093	1	51	0.0	-60.92	352.84	6.96	-53.96
COC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1	REAL300012995094	0	53	0.0	-65.89	399.83	7.17	-58.72
COC1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1	REAL300012995094	1	53	0.0	-67.81	400.48	7.22	-60.59
CCC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995095	0	51	0.0	-53.83	363.28	8.95	-44.88
CCC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995095	1	51	0.0	-55.18	364.09	8.97	-46.21
CCC(COC)(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995096	0	52	0.0	-64.41	373.02	6.36	-58.05
CCC(COC)(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995096	1	52	0.0	-72.80	371.38	6.26	-66.54
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995097	0	55	0.0	-64.68	397.11	8.04	-56.64
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995097	1	55	0.0	-66.58	398.36	8.06	-58.52
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC12CCCC2	REAL300012995098	0	52	0.0	-66.32	381.89	3.85	-62.47
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC12CCCC2	REAL300012995098	1	52	0.0	-73.78	384.72	4.21	-69.57
C[N@@H+]1CC(NC(=O)NC(CC2CC2)C(=O)[O-])CC12CCCC2	REAL300012995099	0	49	0.0	-66.97	366.82	7.08	-59.89
C[N@H+]1CC(NC(=O)NC(CC2CC2)C(=O)[O-])CC12CCCC2	REAL300012995099	1	49	0.0	-64.74	364.96	7.36	-57.38
COCCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995100	0	49	0.0	-61.31	367.87	4.87	-56.44
COCCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995100	1	49	0.0	-68.65	369.12	4.90	-63.75
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995101	0	54	0.0	-64.79	383.44	9.23	-55.56
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995101	1	54	0.0	-65.99	383.69	9.31	-56.68
C[N@@H+]1CC(NC(=O)NC(CC(F)F)C(=O)[O-])CC12CCCC2	REAL300012995102	0	45	0.0	-63.47	346.06	6.36	-57.11
C[N@H+]1CC(NC(=O)NC(CC(F)F)C(=O)[O-])CC12CCCC2	REAL300012995102	1	45	0.0	-62.73	345.68	6.16	-56.57
CCCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995103	0	55	0.0	-71.16	387.97	10.24	-60.92
CCCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995103	1	55	0.0	-67.70	385.05	9.88	-57.82
CCCN(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(C)C(=O)[O-]	REAL300012995104	0	51	0.0	-40.71	363.71	9.37	-31.34
CCCN(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(C)C(=O)[O-]	REAL300012995104	1	51	0.0	-50.69	365.84	9.18	-41.51
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995105	0	55	0.0	-48.91	403.04	11.46	-37.45
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995105	1	55	0.0	-49.65	403.91	11.49	-38.16
CCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012995106	0	55	0.0	-60.07	412.65	9.86	-50.21
CCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300012995106	1	55	0.0	-60.15	412.30	9.87	-50.28
CCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012995107	0	55	0.0	-66.60	395.01	9.51	-57.09
CCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012995107	1	55	0.0	-63.06	393.26	9.44	-53.62
COC1CCCC(C(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])C1	REAL300012995108	0	59	0.0	-70.53	424.10	7.23	-63.30
COC1CCCC(C(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])C1	REAL300012995108	1	59	0.0	-73.68	419.09	6.91	-66.77
C[N@@H+]1CC(NC(=O)NC(CCF)C(=O)[O-])CC12CCCC2	REAL300012995109	0	45	0.0	-66.92	341.21	5.99	-60.93
C[N@H+]1CC(NC(=O)NC(CCF)C(=O)[O-])CC12CCCC2	REAL300012995109	1	45	0.0	-66.46	341.65	5.77	-60.69
COC1(CC(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])CCC1	REAL300012995110	0	56	0.0	-64.28	405.20	6.96	-57.32
COC1(CC(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])CCC1	REAL300012995110	1	56	0.0	-65.37	405.26	6.75	-58.62
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC12CCCC2	REAL300012995111	0	53	0.0	-55.65	378.15	7.54	-48.11
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC12CCCC2	REAL300012995111	1	53	0.0	-49.03	377.80	7.35	-41.68
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC12CCCC2	REAL300012995112	0	55	0.0	-47.68	387.28	9.92	-37.76
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC12CCCC2	REAL300012995112	1	55	0.0	-47.78	388.53	10.06	-37.72
C[C@H]1CC[C@@](NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)(C(=O)[O-])CC1	REAL300012995113	0	55	0.0	-62.83	379.84	8.49	-54.34
C[C@H]1CC[C@@](NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)(C(=O)[O-])CC1	REAL300012995113	1	55	0.0	-69.50	378.15	8.23	-61.27
COC1=CC=CC(C(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])=C1	REAL300012995114	0	53	0.0	-69.33	400.47	7.08	-62.25
COC1=CC=CC(C(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])=C1	REAL300012995114	1	53	0.0	-65.70	401.14	7.19	-58.51
C[N@@H+]1CC(NC(=O)NC(C)(CCF)C(=O)[O-])CC12CCCC2	REAL300012995115	0	48	0.0	-64.57	346.17	6.34	-58.23
C[N@H+]1CC(NC(=O)NC(C)(CCF)C(=O)[O-])CC12CCCC2	REAL300012995115	1	48	0.0	-63.35	345.79	6.13	-57.22
C[N@@H+]1CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC12CCCC2	REAL300012995116	0	50	0.0	-60.44	368.71	8.19	-52.25
C[N@H+]1CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC12CCCC2	REAL300012995116	1	50	0.0	-54.93	367.20	8.30	-46.63
C[N@@H+]1CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995117	0	46	0.0	-66.03	348.79	7.28	-58.75
C[N@H+]1CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995117	1	46	0.0	-68.53	351.38	7.87	-60.66
COC1=CC=CC([C@H](NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])=C1	REAL300012995118	0	53	0.0	-67.08	399.60	7.19	-59.89
COC1=CC=CC([C@H](NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])=C1	REAL300012995118	1	53	0.0	-70.27	400.86	7.28	-62.99
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)C1	REAL300012995119	0	55	0.0	-66.69	398.54	8.53	-58.16
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C1	REAL300012995119	1	55	0.0	-66.72	400.32	8.74	-57.98
COC1=CC=CC(CC(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])=C1	REAL300012995120	0	56	0.0	-65.51	422.10	7.96	-57.55
COC1=CC=CC(CC(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])=C1	REAL300012995120	1	56	0.0	-67.33	423.32	8.16	-59.17
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC12CCCC2	REAL300012995121	0	58	0.0	-65.74	392.96	8.94	-56.80
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC12CCCC2	REAL300012995121	1	58	0.0	-69.19	391.67	8.89	-60.30
C[N@@H+]1CC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC12CCCC2	REAL300012995122	0	47	0.0	-69.57	338.58	8.39	-61.18
C[N@H+]1CC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC12CCCC2	REAL300012995122	1	47	0.0	-74.02	342.47	8.09	-65.93
C[N@@H+]1CC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC12CCCC2	REAL300012995123	0	55	0.0	-59.31	410.60	9.42	-49.89
C[N@H+]1CC(NC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC12CCCC2	REAL300012995123	1	55	0.0	-58.32	412.44	9.51	-48.81
C[N@@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC12CCCC2	REAL300012995124	0	54	0.0	-70.86	404.77	9.20	-61.66
C[N@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC12CCCC2	REAL300012995124	1	54	0.0	-65.33	406.39	9.32	-56.01
COC1CN(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(C)(C(=O)[O-])C1	REAL300012995125	0	53	0.0	-64.61	386.30	7.39	-57.22
COC1CN(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(C)(C(=O)[O-])C1	REAL300012995125	1	53	0.0	-64.01	384.50	7.13	-56.88
C[N@@H+]1CC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC12CCCC2	REAL300012995126	0	56	0.0	-67.37	407.02	6.68	-60.69
C[N@H+]1CC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC12CCCC2	REAL300012995126	1	56	0.0	-64.01	404.80	6.66	-57.35
C[N@@H+]1CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC12CCCC2	REAL300012995127	0	51	0.0	-68.06	364.62	6.96	-61.10
C[N@H+]1CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC12CCCC2	REAL300012995127	1	51	0.0	-64.95	363.96	7.00	-57.95
C=C(Cl)CC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995128	0	46	0.0	-62.99	363.17	6.78	-56.21
C=C(Cl)CC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995128	1	46	0.0	-62.65	363.29	6.82	-55.83
C=C(C)CC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995129	0	49	0.0	-67.65	367.84	6.97	-60.68
C=C(C)CC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995129	1	49	0.0	-61.01	368.08	6.85	-54.16
C[N@@H+]1CC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC12CCCC2	REAL300012995130	0	50	0.0	-76.93	353.07	9.01	-67.92
C[N@H+]1CC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC12CCCC2	REAL300012995130	1	50	0.0	-76.75	356.11	8.97	-67.78
C[N@@H+]1CC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC12CCCC2	REAL300012995131	0	55	0.0	-60.02	400.28	8.97	-51.05
C[N@H+]1CC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC12CCCC2	REAL300012995131	1	55	0.0	-59.00	402.12	9.06	-49.94
C[N@@H+]1CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC12CCCC2	REAL300012995132	0	46	0.0	-67.93	349.81	7.64	-60.29
C[N@H+]1CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC12CCCC2	REAL300012995132	1	46	0.0	-65.32	347.51	7.32	-58.00
C[N@@H+]1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC12CCCC2	REAL300012995133	0	46	0.0	-70.03	341.05	7.22	-62.81
C[N@H+]1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC12CCCC2	REAL300012995133	1	46	0.0	-68.34	343.07	7.54	-60.80
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C1	REAL300012995134	0	47	0.0	-66.80	349.11	7.59	-59.21
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)C1	REAL300012995134	1	47	0.0	-65.15	350.30	7.95	-57.20
C[N@@H+]1CC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC12CCCC2	REAL300012995135	0	56	0.0	-62.62	405.32	6.48	-56.14
C[N@H+]1CC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC12CCCC2	REAL300012995135	1	56	0.0	-60.61	401.25	7.34	-53.27
CC(C)C[C@H](NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995136	0	51	0.0	-65.33	373.27	7.10	-58.23
CC(C)C[C@H](NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995136	1	51	0.0	-67.60	370.18	7.02	-60.58
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC12CCCC2	REAL300012995137	0	53	0.0	-66.05	379.92	5.64	-60.41
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC12CCCC2	REAL300012995137	1	53	0.0	-63.19	378.11	5.67	-57.52
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC12CCCC2	REAL300012995138	0	49	0.0	-68.51	371.58	7.90	-60.61
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC12CCCC2	REAL300012995138	1	49	0.0	-66.02	370.33	7.87	-58.15
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC12CCCC2	REAL300012995139	0	52	0.0	-62.17	410.46	8.99	-53.18
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC12CCCC2	REAL300012995139	1	52	0.0	-66.44	410.28	8.71	-57.73
C[N@@H+]1CC(NC(=O)NC(CC2CC2)C(=O)[O-])CC12CCCC2	REAL300012995140	0	49	0.0	-66.97	366.82	7.08	-59.89
C[N@H+]1CC(NC(=O)NC(CC2CC2)C(=O)[O-])CC12CCCC2	REAL300012995140	1	49	0.0	-64.74	364.96	7.36	-57.38
C[N@@H+]1CC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC12CCCC2	REAL300012995141	0	48	0.0	-62.81	380.37	6.05	-56.76
C[N@H+]1CC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC12CCCC2	REAL300012995141	1	48	0.0	-61.52	379.37	5.95	-55.57
CC(C)CCCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995142	0	57	0.0	-66.77	416.88	8.54	-58.23
CC(C)CCCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995142	1	57	0.0	-61.82	416.76	8.50	-53.32
C[N@@H+]1CC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC12CCCC2	REAL300012995143	0	55	0.0	-71.15	423.36	9.30	-61.85
C[N@H+]1CC(NC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC12CCCC2	REAL300012995143	1	55	0.0	-64.91	422.13	9.12	-55.79
C[N@@H+]1CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC12CCCC2	REAL300012995144	0	53	0.0	-72.07	391.54	6.19	-65.88
C[N@H+]1CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC12CCCC2	REAL300012995144	1	53	0.0	-59.83	388.16	6.75	-53.08
CSCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995145	0	46	0.0	-62.28	357.68	6.21	-56.07
CSCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995145	1	46	0.0	-58.84	357.50	6.09	-52.75
C[N@@H+]1CC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC12CCCC2	REAL300012995146	0	52	0.0	-62.52	400.22	8.92	-53.60
C[N@H+]1CC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC12CCCC2	REAL300012995146	1	52	0.0	-59.94	398.70	8.95	-50.99
CCC(C)CC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995147	0	54	0.0	-66.14	390.77	7.76	-58.38
CCC(C)CC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995147	1	54	0.0	-68.43	391.76	7.85	-60.58
C=CCCCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995148	0	52	0.0	-61.47	390.51	7.77	-53.70
C=CCCCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995148	1	52	0.0	-66.72	390.62	7.81	-58.91
C[N@@H+]1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC12CCCC2	REAL300012995149	0	52	0.0	-67.14	400.19	8.92	-58.22
C[N@H+]1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC12CCCC2	REAL300012995149	1	52	0.0	-64.39	398.93	8.89	-55.50
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC12CCCC2	REAL300012995150	0	55	0.0	-67.20	411.61	9.84	-57.36
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC12CCCC2	REAL300012995150	1	55	0.0	-64.80	410.25	10.06	-54.74
C[N@@H+]1CC(NC(=O)N2CCSCC2C(=O)[O-])CC12CCCC2	REAL300012995151	0	47	0.0	-70.61	345.99	9.00	-61.61
C[N@H+]1CC(NC(=O)N2CCSCC2C(=O)[O-])CC12CCCC2	REAL300012995151	1	47	0.0	-66.60	344.22	8.82	-57.78
C[N@@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC12CCCC2	REAL300012995152	0	52	0.0	-68.72	379.40	8.68	-60.04
C[N@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC12CCCC2	REAL300012995152	1	52	0.0	-62.42	378.97	8.46	-53.96
C[N@@H+]1CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC12CCCC2	REAL300012995153	0	50	0.0	-73.43	355.35	9.12	-64.31
C[N@H+]1CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC12CCCC2	REAL300012995153	1	50	0.0	-74.11	356.33	9.31	-64.80
CCN(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012995154	0	51	0.0	-61.49	359.33	8.55	-52.94
CCN(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300012995154	1	51	0.0	-62.99	356.76	8.45	-54.54
CCCN(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(C)C(=O)[O-]	REAL300012995155	0	51	0.0	-40.71	363.71	9.37	-31.34
CCCN(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(C)C(=O)[O-]	REAL300012995155	1	51	0.0	-50.69	365.84	9.18	-41.51
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC12CCCC2	REAL300012995156	0	45	0.0	-58.38	344.86	8.01	-50.37
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC12CCCC2	REAL300012995156	1	45	0.0	-61.69	347.60	7.93	-53.76
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC12CCCC2	REAL300012995157	0	45	0.0	-58.38	344.86	8.01	-50.37
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC12CCCC2	REAL300012995157	1	45	0.0	-61.69	347.60	7.93	-53.76
C[N@@H+]1CC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC12CCCC2	REAL300012995158	0	58	0.0	-49.42	421.71	6.13	-43.29
C[N@H+]1CC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC12CCCC2	REAL300012995158	1	58	0.0	-50.41	421.33	5.92	-44.49
C[N@@H+]1CC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995159	0	47	0.0	-74.03	345.60	3.84	-70.19
C[N@H+]1CC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995159	1	47	0.0	-67.34	347.37	4.16	-63.18
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2C[N@H+](C)C3(CCCC3)C2)CC1	REAL300012995160	1	62	0.0	-49.92	446.53	5.79	-44.13
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)CC1	REAL300012995160	1	62	0.0	-49.73	446.16	5.82	-43.91
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995161	0	53	0.0	-42.49	384.31	10.60	-31.89
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995161	1	53	0.0	-52.81	386.93	10.56	-42.25
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)[C@H]1C(=O)[O-]	REAL300012995162	0	56	0.0	-57.81	397.59	10.83	-46.98
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)[C@H]1C(=O)[O-]	REAL300012995162	1	56	0.0	-58.79	398.81	10.97	-47.82
C[N@@H+]1CC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC12CCCC2	REAL300012995163	0	54	0.0	-63.32	390.53	9.06	-54.26
C[N@H+]1CC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC12CCCC2	REAL300012995163	1	54	0.0	-62.28	389.91	9.00	-53.28
C[N@@H+]1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC12CCCC2	REAL300012995164	0	49	0.0	-62.21	368.25	7.86	-54.35
C[N@H+]1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC12CCCC2	REAL300012995164	1	49	0.0	-61.74	370.09	7.96	-53.78
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC12CCCC2	REAL300012995165	0	52	0.0	-64.66	410.32	8.91	-55.75
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC12CCCC2	REAL300012995165	1	52	0.0	-58.86	409.32	8.74	-50.12
C[N@@H+]1CC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC12CCCC2	REAL300012995166	0	54	0.0	-69.55	407.77	7.74	-61.81
C[N@H+]1CC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC12CCCC2	REAL300012995166	1	54	0.0	-69.29	411.35	7.65	-61.64
C=CCCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995167	0	49	0.0	-67.67	369.76	7.16	-60.51
C=CCCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995167	1	49	0.0	-66.53	369.13	7.02	-59.51
C[N@@H+]1CC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC12CCCC2	REAL300012995168	0	48	0.0	-65.73	380.43	5.86	-59.87
C[N@H+]1CC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC12CCCC2	REAL300012995168	1	48	0.0	-63.11	379.40	5.82	-57.29
C[N@@H+]1CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC12CCCC2	REAL300012995169	0	49	0.0	-63.89	395.95	7.53	-56.36
C[N@H+]1CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC12CCCC2	REAL300012995169	1	49	0.0	-62.35	398.62	7.64	-54.71
C[N@@H+]1CC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC12CCCC2	REAL300012995170	0	49	0.0	-80.50	364.85	5.30	-75.20
C[N@H+]1CC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC12CCCC2	REAL300012995170	1	49	0.0	-74.90	363.57	5.26	-69.64
CN1CC(C(=O)[O-])N(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)CC1=O	REAL300012995171	0	50	0.0	-65.20	361.28	6.95	-58.25
CN1CC(C(=O)[O-])N(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)CC1=O	REAL300012995171	1	50	0.0	-65.10	362.36	6.79	-58.31
C[N@@H+]1CC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC12CCCC2	REAL300012995172	0	49	0.0	-66.16	348.30	8.15	-58.01
C[N@H+]1CC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC12CCCC2	REAL300012995172	1	49	0.0	-73.41	354.55	8.45	-64.96
C[N@@H+]1CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC12CCCC2	REAL300012995173	0	49	0.0	-68.00	370.97	7.94	-60.06
C[N@H+]1CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC12CCCC2	REAL300012995173	1	49	0.0	-65.31	369.69	7.91	-57.40
C[N@@H+]1CC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC12CCCC2	REAL300012995174	0	52	0.0	-64.02	377.86	7.10	-56.92
C[N@H+]1CC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC12CCCC2	REAL300012995174	1	52	0.0	-62.63	379.77	7.21	-55.42
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC12CCCC2	REAL300012995175	0	52	0.0	-47.69	370.91	9.29	-38.40
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC12CCCC2	REAL300012995175	1	52	0.0	-47.36	371.15	9.35	-38.01
CC[C@H](C)[C@H](NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995176	0	51	0.0	-64.50	364.21	6.75	-57.75
CC[C@H](C)[C@H](NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995176	1	51	0.0	-67.29	361.90	6.64	-60.65
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC12CCCC2	REAL300012995177	0	50	0.0	-66.65	368.76	3.84	-62.81
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC12CCCC2	REAL300012995177	1	50	0.0	-72.81	365.91	3.69	-69.12
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995178	0	58	0.0	-66.04	414.31	7.03	-59.01
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995178	1	58	0.0	-70.28	415.82	6.96	-63.32
CC1CCC(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)(C(=O)[O-])C1	REAL300012995179	0	52	0.0	-66.64	370.83	7.73	-58.91
CC1CCC(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)(C(=O)[O-])C1	REAL300012995179	1	52	0.0	-64.07	371.02	7.38	-56.69
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC12CCCC2	REAL300012995180	0	55	0.0	-70.45	378.14	8.15	-62.30
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC12CCCC2	REAL300012995180	1	55	0.0	-68.66	378.05	8.12	-60.54
COCCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995181	0	49	0.0	-61.31	367.87	4.87	-56.44
COCCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995181	1	49	0.0	-68.65	369.12	4.90	-63.75
CN(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012995182	0	55	0.0	-61.14	402.28	10.92	-50.22
CN(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012995182	1	55	0.0	-68.28	402.38	10.77	-57.51
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC12CCCC2	REAL300012995183	0	52	0.0	-68.58	371.91	8.26	-60.32
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC12CCCC2	REAL300012995183	1	52	0.0	-68.85	371.81	8.21	-60.64
CC1CCC(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012995184	0	59	0.0	-70.29	419.78	10.28	-60.01
CC1CCC(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)(C(=O)[O-])C2=CC=CC=C21	REAL300012995184	1	59	0.0	-66.55	419.76	10.09	-56.46
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC12CCCC2	REAL300012995185	0	49	0.0	-68.90	362.14	6.60	-62.30
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC12CCCC2	REAL300012995185	1	49	0.0	-67.01	355.69	7.15	-59.86
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995186	0	58	0.0	-62.60	418.49	7.04	-55.56
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995186	1	58	0.0	-61.76	415.68	7.04	-54.72
C[N@@H+]1CC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995187	0	47	0.0	-78.19	345.57	4.02	-74.17
C[N@H+]1CC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995187	1	47	0.0	-79.64	348.00	4.36	-75.28
C[N@@H+]1CC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC12CCCC2	REAL300012995188	0	57	0.0	-55.18	413.06	11.40	-43.78
C[N@H+]1CC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC12CCCC2	REAL300012995188	1	57	0.0	-57.70	412.78	11.34	-46.36
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC12CCCC2	REAL300012995189	0	50	0.0	-71.38	362.78	4.81	-66.57
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC12CCCC2	REAL300012995189	1	50	0.0	-59.52	364.74	4.99	-54.53
C[N@@H+]1CC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC12CCCC2	REAL300012995190	0	50	0.0	-76.91	359.41	9.01	-67.90
C[N@H+]1CC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC12CCCC2	REAL300012995190	1	50	0.0	-71.25	359.53	9.00	-62.25
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC12CCCC2	REAL300012995191	0	53	0.0	-70.60	403.28	8.05	-62.55
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC12CCCC2	REAL300012995191	1	53	0.0	-72.15	402.25	8.00	-64.15
C[N@@H+]1CC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC12CCCC2	REAL300012995192	0	48	0.0	-71.46	348.38	6.61	-64.85
C[N@H+]1CC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC12CCCC2	REAL300012995192	1	48	0.0	-70.01	348.07	6.40	-63.61
CC1CCC(C(=O)[O-])N(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)C1	REAL300012995193	0	52	0.0	-67.60	360.33	9.54	-58.06
CC1CCC(C(=O)[O-])N(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C1	REAL300012995193	1	52	0.0	-68.59	365.63	9.57	-59.02
CC(C1=CC=CC=C1)C(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995194	0	55	0.0	-62.01	409.34	9.21	-52.80
CC(C1=CC=CC=C1)C(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995194	1	55	0.0	-67.60	407.86	9.16	-58.44
C[N@@H+]1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC12CCCC2	REAL300012995195	0	56	0.0	-65.44	406.90	8.96	-56.48
C[N@H+]1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC12CCCC2	REAL300012995195	1	56	0.0	-65.41	406.90	8.94	-56.47
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCC2)CC12CCCC2	REAL300012995196	0	49	0.0	-67.92	354.83	6.54	-61.38
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCC2)CC12CCCC2	REAL300012995196	1	49	0.0	-61.36	359.12	6.62	-54.74
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC12CCCC2	REAL300012995197	0	62	0.0	-63.00	429.21	8.46	-54.54
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC12CCCC2	REAL300012995197	1	62	0.0	-62.15	426.46	8.51	-53.64
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC12CCCC2	REAL300012995198	0	55	0.0	-63.21	386.06	7.91	-55.30
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC12CCCC2	REAL300012995198	1	55	0.0	-61.59	387.84	8.16	-53.43
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCC2)CC12CCCC2	REAL300012995199	0	49	0.0	-67.92	354.83	6.54	-61.38
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCC2)CC12CCCC2	REAL300012995199	1	49	0.0	-61.36	359.12	6.62	-54.74
CC1CCN(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)C1C(=O)[O-]	REAL300012995200	0	49	0.0	-71.44	354.38	7.99	-63.45
CC1CCN(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C1C(=O)[O-]	REAL300012995200	1	49	0.0	-71.30	354.81	8.04	-63.26
C[N@@H+]1CC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC12CCCC2	REAL300012995201	0	56	0.0	-66.22	409.64	7.01	-59.21
C[N@H+]1CC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC12CCCC2	REAL300012995201	1	56	0.0	-59.54	406.78	7.68	-51.86
C[N@@H+]1CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC12CCCC2	REAL300012995202	0	56	0.0	-43.31	380.77	9.36	-33.95
C[N@H+]1CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC12CCCC2	REAL300012995202	1	56	0.0	-50.03	384.20	9.70	-40.33
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC12CCCC2	REAL300012995203	0	56	0.0	-72.53	382.32	6.72	-65.81
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC12CCCC2	REAL300012995203	1	56	0.0	-63.14	384.81	6.88	-56.26
CC1=CC=CC2=C1CCN(C(=O)NC1C[N@@H+](C)C3(CCCC3)C1)C2C(=O)[O-]	REAL300012995204	0	56	0.0	-77.26	398.72	11.12	-66.14
CC1=CC=CC2=C1CCN(C(=O)NC1C[N@H+](C)C3(CCCC3)C1)C2C(=O)[O-]	REAL300012995204	1	56	0.0	-76.88	397.29	11.26	-65.62
C[N@@H+]1CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC12CCCC2	REAL300012995205	0	50	0.0	-53.55	357.15	8.52	-45.03
C[N@H+]1CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC12CCCC2	REAL300012995205	1	50	0.0	-52.60	360.28	8.89	-43.71
C[N@@H+]1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC12CCCC2	REAL300012995206	0	56	0.0	-65.44	406.90	8.96	-56.48
C[N@H+]1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC12CCCC2	REAL300012995206	1	56	0.0	-65.41	406.90	8.94	-56.47
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC12CCCC2	REAL300012995207	0	52	0.0	-65.22	399.99	8.99	-56.23
C[N@H+]1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC12CCCC2	REAL300012995207	1	52	0.0	-64.88	399.85	8.72	-56.16
COC1CC(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)(C(=O)[O-])C1	REAL300012995208	0	50	0.0	-73.73	368.80	5.44	-68.29
COC1CC(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)(C(=O)[O-])C1	REAL300012995208	1	50	0.0	-63.57	367.46	5.40	-58.17
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC12CCCC2	REAL300012995209	0	46	0.0	-66.62	344.53	6.57	-60.05
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC12CCCC2	REAL300012995209	1	46	0.0	-66.98	343.96	6.53	-60.45
CO[C@H]1C[C@](NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)(C(=O)[O-])C1	REAL300012995210	0	50	0.0	-59.65	366.83	5.35	-54.30
CO[C@H]1C[C@](NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)(C(=O)[O-])C1	REAL300012995210	1	50	0.0	-65.73	367.71	5.22	-60.51
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC12CCCC2	REAL300012995211	0	49	0.0	-62.12	378.84	6.94	-55.18
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC12CCCC2	REAL300012995211	1	49	0.0	-66.45	374.95	7.59	-58.86
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995212	0	52	0.0	-72.21	363.73	9.53	-62.68
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995212	1	52	0.0	-67.26	367.19	9.33	-57.93
C[N@@H+]1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC12CCCC2	REAL300012995213	0	45	0.0	-56.18	349.80	6.37	-49.81
C[N@H+]1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC12CCCC2	REAL300012995213	1	45	0.0	-57.33	350.99	6.33	-51.00
C[N@@H+]1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC12CCCC2	REAL300012995214	0	53	0.0	-65.90	386.00	6.61	-59.29
C[N@H+]1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC12CCCC2	REAL300012995214	1	53	0.0	-65.28	389.08	5.85	-59.43
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC12CCCC2	REAL300012995215	0	49	0.0	-69.04	385.69	7.91	-61.13
C[N@H+]1CC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC12CCCC2	REAL300012995215	1	49	0.0	-66.19	384.51	7.87	-58.32
COCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012995216	0	56	0.0	-64.60	411.16	7.83	-56.77
COCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300012995216	1	56	0.0	-62.65	412.58	7.89	-54.76
CC(C)C(C)(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995217	0	51	0.0	-59.37	353.26	6.79	-52.58
CC(C)C(C)(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995217	1	51	0.0	-67.76	353.20	6.75	-61.01
C[N@@H+]1CC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995218	0	47	0.0	-72.50	340.45	8.68	-63.82
C[N@H+]1CC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995218	1	47	0.0	-70.32	340.15	8.89	-61.43
C[N@@H+]1CC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995219	0	50	0.0	-68.21	354.31	8.37	-59.84
C[N@H+]1CC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995219	1	50	0.0	-67.55	356.40	8.30	-59.25
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995220	0	55	0.0	-48.91	403.04	11.46	-37.45
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995220	1	55	0.0	-49.65	403.91	11.49	-38.16
C[N@@H+]1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC12CCCC2	REAL300012995221	0	58	0.0	-61.53	414.20	8.86	-52.67
C[N@H+]1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC12CCCC2	REAL300012995221	1	58	0.0	-60.82	414.31	9.09	-51.73
C[N@@H+]1CC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC12CCCC2	REAL300012995222	0	55	0.0	-68.76	416.61	9.69	-59.07
C[N@H+]1CC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC12CCCC2	REAL300012995222	1	55	0.0	-66.04	415.32	9.66	-56.38
C[N@@H+]1CC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC12CCCC2	REAL300012995223	0	55	0.0	-63.17	416.61	9.69	-53.48
C[N@H+]1CC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC12CCCC2	REAL300012995223	1	55	0.0	-61.46	415.32	9.66	-51.80
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC12CCCC2	REAL300012995224	0	56	0.0	-69.99	398.23	8.25	-61.74
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC12CCCC2	REAL300012995224	1	56	0.0	-67.63	393.43	8.27	-59.36
C[N@@H+]1CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC12CCCC2	REAL300012995225	0	58	0.0	-61.32	412.24	9.03	-52.29
C[N@H+]1CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC12CCCC2	REAL300012995225	1	58	0.0	-61.35	414.48	9.02	-52.33
C[N@@H+]1CC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC12CCCC2	REAL300012995226	0	58	0.0	-68.39	414.94	9.05	-59.34
C[N@H+]1CC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC12CCCC2	REAL300012995226	1	58	0.0	-65.53	413.65	9.02	-56.51
C[N@@H+]1CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC12CCCC2	REAL300012995227	0	56	0.0	-42.83	399.05	9.85	-32.98
C[N@H+]1CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC12CCCC2	REAL300012995227	1	56	0.0	-51.63	398.89	10.09	-41.54
C[N@@H+]1CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995228	0	56	0.0	-73.79	391.22	9.34	-64.45
C[N@H+]1CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995228	1	56	0.0	-76.51	398.46	9.67	-66.84
COC1=CC=C(CC(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1	REAL300012995229	0	56	0.0	-65.46	421.83	8.18	-57.28
COC1=CC=C(CC(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1	REAL300012995229	1	56	0.0	-63.10	422.57	7.97	-55.13
C=CCSCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995230	0	50	0.0	-59.84	393.18	7.71	-52.13
C=CCSCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995230	1	50	0.0	-61.82	391.71	7.73	-54.09
C[N@@H+]1CC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC12CCCC2	REAL300012995231	0	53	0.0	-63.11	413.90	9.06	-54.05
C[N@H+]1CC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC12CCCC2	REAL300012995231	1	53	0.0	-65.41	413.15	9.28	-56.13
CCC(C(=O)[O-])N(CC)C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995232	0	51	0.0	-59.33	359.34	8.61	-50.72
CCC(C(=O)[O-])N(CC)C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995232	1	51	0.0	-63.47	361.44	9.27	-54.20
COC1(C(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])CCC1	REAL300012995233	0	53	0.0	-63.97	383.87	5.92	-58.05
COC1(C(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])CCC1	REAL300012995233	1	53	0.0	-63.88	382.59	5.33	-58.55
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC12CCCC2	REAL300012995234	0	55	0.0	-65.80	395.84	8.85	-56.95
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC12CCCC2	REAL300012995234	1	55	0.0	-70.81	390.05	8.10	-62.71
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC12CCCC2	REAL300012995235	0	56	0.0	-64.32	403.26	9.77	-54.55
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC12CCCC2	REAL300012995235	1	56	0.0	-67.15	404.95	10.09	-57.06
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC12CCCC2	REAL300012995236	0	49	0.0	-68.87	368.36	7.40	-61.47
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC12CCCC2	REAL300012995236	1	49	0.0	-63.94	365.50	7.25	-56.69
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC12CCCC2	REAL300012995238	0	61	0.0	-63.65	447.81	10.24	-53.41
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC12CCCC2	REAL300012995238	1	61	0.0	-65.61	446.54	10.19	-55.42
CC(C)C1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1	REAL300012995239	0	58	0.0	-61.81	430.61	9.80	-52.01
CC(C)C1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1	REAL300012995239	1	58	0.0	-67.59	431.21	9.87	-57.72
C[N@@H+]1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC12CCCC2	REAL300012995240	0	46	0.0	-70.03	341.05	7.22	-62.81
C[N@H+]1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC12CCCC2	REAL300012995240	1	46	0.0	-68.34	343.07	7.54	-60.80
C[N@@H+]1CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC12CCCC2	REAL300012995241	0	48	0.0	-51.54	349.34	8.50	-43.04
C[N@H+]1CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC12CCCC2	REAL300012995241	1	48	0.0	-52.61	353.19	8.90	-43.71
C[N@@H+]1CC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC12CCCC2	REAL300012995242	0	52	0.0	-74.36	368.95	8.70	-65.66
C[N@H+]1CC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC12CCCC2	REAL300012995242	1	52	0.0	-74.91	369.38	8.31	-66.60
CCOC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1	REAL300012995243	0	56	0.0	-61.99	421.72	8.10	-53.89
CCOC1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C(=O)[O-])C=C1	REAL300012995243	1	56	0.0	-68.13	422.93	8.12	-60.01
C[N@@H+]1CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC12CCCC2	REAL300012995244	0	56	0.0	-70.96	389.46	10.39	-60.57
C[N@H+]1CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC12CCCC2	REAL300012995244	1	56	0.0	-73.31	389.92	10.63	-62.68
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC12CCCC2	REAL300012995245	0	56	0.0	-63.46	413.69	9.92	-53.54
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC12CCCC2	REAL300012995245	1	56	0.0	-60.59	410.86	9.77	-50.82
C[N@@H+]1CC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC12CCCC2	REAL300012995246	0	56	0.0	-72.92	410.92	8.81	-64.11
C[N@H+]1CC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC12CCCC2	REAL300012995246	1	56	0.0	-65.18	412.79	8.91	-56.27
C[N@@H+]1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC12CCCC2	REAL300012995247	0	52	0.0	-64.60	401.85	9.16	-55.44
C[N@H+]1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC12CCCC2	REAL300012995247	1	52	0.0	-62.16	401.26	9.09	-53.07
CC(C)CCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995248	0	54	0.0	-67.27	395.62	7.69	-59.58
CC(C)CCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995248	1	54	0.0	-61.11	394.43	7.72	-53.39
C[N@@H+]1CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC12CCCC2	REAL300012995249	0	53	0.0	-43.46	382.01	9.21	-34.25
C[N@H+]1CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC12CCCC2	REAL300012995249	1	53	0.0	-52.52	381.36	9.22	-43.30
C[N@@H+]1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC12CCCC2	REAL300012995250	0	53	0.0	-65.90	386.00	6.61	-59.29
C[N@H+]1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC12CCCC2	REAL300012995250	1	53	0.0	-65.28	389.08	5.85	-59.43
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)C1	REAL300012995251	0	50	0.0	-63.90	379.84	9.23	-54.67
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C1	REAL300012995251	1	50	0.0	-71.12	377.26	8.89	-62.23
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC12CCCC2	REAL300012995252	0	53	0.0	-73.80	367.65	8.55	-65.25
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC12CCCC2	REAL300012995252	1	53	0.0	-64.35	369.52	8.65	-55.70
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC12CCCC2	REAL300012995253	0	50	0.0	-65.15	359.67	7.59	-57.56
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC12CCCC2	REAL300012995253	1	50	0.0	-74.30	359.22	7.98	-66.32
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC12CCCC2	REAL300012995254	0	53	0.0	-63.13	381.52	8.32	-54.81
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC12CCCC2	REAL300012995254	1	53	0.0	-70.99	382.17	8.35	-62.64
CN(C(=O)NC1C[N@H+](C)C2(CCCC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012995255	0	55	0.0	-61.07	401.15	10.75	-50.32
CN(C(=O)NC1C[N@@H+](C)C2(CCCC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012995255	1	55	0.0	-62.71	402.94	10.87	-51.84
C[N@@H+]1CC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC12CCCC2	REAL300012995256	0	59	0.0	-51.15	409.39	10.14	-41.01
C[N@H+]1CC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC12CCCC2	REAL300012995256	1	59	0.0	-52.22	409.88	10.13	-42.09
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC12CCCC2	REAL300012995257	0	52	0.0	-67.68	371.53	7.33	-60.35
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC12CCCC2	REAL300012995257	1	52	0.0	-61.82	371.08	7.39	-54.43
CO[C@H](C)[C@H](NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995258	0	49	0.0	-66.39	364.63	5.06	-61.33
CO[C@H](C)[C@H](NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995258	1	49	0.0	-68.65	361.83	4.95	-63.70
CC1[C@@H](C)[C@@]1(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995259	0	49	0.0	-67.38	357.95	7.51	-59.87
CC1[C@@H](C)[C@@]1(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995259	1	49	0.0	-69.63	352.60	6.85	-62.78
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC12CCCC2	REAL300012995260	0	52	0.0	-55.74	389.51	10.50	-45.24
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC12CCCC2	REAL300012995260	1	52	0.0	-49.66	391.98	10.45	-39.21
C[N@@H+]1CC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC12CCCC2	REAL300012995261	0	52	0.0	-51.78	373.02	8.55	-43.23
C[N@H+]1CC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC12CCCC2	REAL300012995261	1	52	0.0	-52.55	373.04	8.48	-44.07
C[N@@H+]1CC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC12CCCC2	REAL300012995262	0	53	0.0	-67.99	393.50	10.71	-57.28
C[N@H+]1CC(NC(=O)N2CCC3=C(C=CC(F)=C3F)C2C(=O)[O-])CC12CCCC2	REAL300012995262	1	53	0.0	-50.66	397.32	10.25	-40.41
C[N@@H+]1CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC12CCCC2	REAL300012995263	0	49	0.0	-72.44	357.21	9.07	-63.37
C[N@H+]1CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC12CCCC2	REAL300012995263	1	49	0.0	-68.51	355.68	9.08	-59.43
C[N@@H+]1CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC12CCCC2	REAL300012995264	0	46	0.0	-69.34	345.91	7.48	-61.86
C[N@H+]1CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC12CCCC2	REAL300012995264	1	46	0.0	-67.77	346.57	7.44	-60.33
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC12CCCC2	REAL300012995265	0	52	0.0	-65.22	399.99	8.99	-56.23
C[N@H+]1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC12CCCC2	REAL300012995265	1	52	0.0	-64.88	399.85	8.72	-56.16
C[N@@H+]1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC12CCCC2	REAL300012995266	0	49	0.0	-68.36	381.57	7.63	-60.73
C[N@H+]1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC12CCCC2	REAL300012995266	1	49	0.0	-66.89	384.14	7.61	-59.28
C[N@@H+]1CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC12CCCC2	REAL300012995267	0	49	0.0	-65.06	364.20	8.32	-56.74
C[N@H+]1CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC12CCCC2	REAL300012995267	1	49	0.0	-66.37	365.26	8.65	-57.72
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC12CCCC2	REAL300012995268	0	53	0.0	-66.42	398.60	8.56	-57.86
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC12CCCC2	REAL300012995268	1	53	0.0	-67.30	397.35	8.59	-58.71
C[N@@H+]1CC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC12CCCC2	REAL300012995269	0	57	0.0	-70.98	421.99	10.01	-60.97
C[N@H+]1CC(NC(=O)N2C[C@@H](OC3=CC=CC=C3)C[C@H]2C(=O)[O-])CC12CCCC2	REAL300012995269	1	57	0.0	-65.69	424.66	10.30	-55.39
C[N@@H+]1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC12CCCC2	REAL300012995270	0	49	0.0	-68.36	381.57	7.63	-60.73
C[N@H+]1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC12CCCC2	REAL300012995270	1	49	0.0	-66.89	384.14	7.61	-59.28
C[N@@H+]1CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995271	0	53	0.0	-71.75	374.65	9.21	-62.54
C[N@H+]1CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995271	1	53	0.0	-76.26	375.97	9.00	-67.26
COCCCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995272	0	52	0.0	-66.17	390.23	5.47	-60.70
COCCCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995272	1	52	0.0	-60.67	389.04	5.50	-55.17
CCCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](C)C2(CCCC2)C1	REAL300012995273	0	51	0.0	-63.90	366.12	8.56	-55.34
CCCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C)C2(CCCC2)C1	REAL300012995273	1	51	0.0	-60.45	368.42	8.74	-51.71
CCOCC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995274	0	49	0.0	-67.43	367.91	5.02	-62.41
CCOCC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300012995274	1	49	0.0	-63.78	369.02	5.10	-58.68
C[N@@H+]1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC12CCCC2	REAL300012995275	0	54	0.0	-67.78	385.54	8.04	-59.74
C[N@H+]1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC12CCCC2	REAL300012995275	1	54	0.0	-60.83	384.79	8.25	-52.58
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC12CCCC2	REAL300012995276	0	53	0.0	-65.58	385.89	5.98	-59.60
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC12CCCC2	REAL300012995276	1	53	0.0	-63.30	386.05	6.34	-56.96
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC12CCCC2	REAL300012995277	0	53	0.0	-64.31	391.32	9.01	-55.30
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC12CCCC2	REAL300012995277	1	53	0.0	-61.81	388.33	9.06	-52.75
C[C@H]1OCCN(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)[C@@H]1C(=O)[O-]	REAL300012995278	0	50	0.0	-69.75	356.33	7.10	-62.65
C[C@H]1OCCN(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)[C@@H]1C(=O)[O-]	REAL300012995278	1	50	0.0	-66.64	355.42	6.80	-59.84
C[N@@H+]1CC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995279	0	52	0.0	-64.88	376.05	8.68	-56.20
C[N@H+]1CC(NC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C(=O)[O-])CC12CCCC2	REAL300012995279	1	52	0.0	-61.58	376.06	8.68	-52.90
C[N@@H+]1CC(NC(=O)NC(CCC#N)C(=O)[O-])CC12CCCC2	REAL300012995280	0	46	0.0	-63.89	356.06	6.40	-57.49
C[N@H+]1CC(NC(=O)NC(CCC#N)C(=O)[O-])CC12CCCC2	REAL300012995280	1	46	0.0	-69.32	355.67	6.20	-63.12
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC12CCCC2	REAL300012995281	0	63	0.0	-69.01	426.59	10.03	-58.98
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C23CC4CC(CC(C4)C2)C3)CC12CCCC2	REAL300012995281	1	63	0.0	-65.11	429.59	10.12	-54.99
C[N@@H+]1CC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC12CCCC2	REAL300012995282	0	55	0.0	-69.84	416.09	9.06	-60.78
C[N@H+]1CC(NC(=O)NC(CC2=COC3=CC=CC=C23)C(=O)[O-])CC12CCCC2	REAL300012995282	1	55	0.0	-65.27	422.54	9.07	-56.20
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC12CCCC2	REAL300012995283	0	49	0.0	-49.21	374.03	8.78	-40.43
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC12CCCC2	REAL300012995283	1	49	0.0	-50.63	373.65	8.59	-42.04
C[N@@H+]1CC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC12CCCC2	REAL300012995284	0	60	0.0	-68.06	406.34	9.62	-58.44
C[N@H+]1CC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC12CCCC2	REAL300012995284	1	60	0.0	-71.60	402.64	9.25	-62.35
C[N@@H+]1CC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC12CCCC2	REAL300012995285	0	51	0.0	-68.42	405.45	7.57	-60.85
C[N@H+]1CC(NC(=O)NC(CC2=CC=C(Cl)N=C2)C(=O)[O-])CC12CCCC2	REAL300012995285	1	51	0.0	-61.81	404.37	7.45	-54.36
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](C)C3(CCCC3)C2)C1	REAL300012995286	0	53	0.0	-66.25	387.43	7.77	-58.48
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](C)C3(CCCC3)C2)C1	REAL300012995286	1	53	0.0	-69.30	390.57	7.79	-61.51
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC3=C2CCCC3)CC1	REAL300012995465	0	60	0.0	-63.84	449.68	9.72	-54.12
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23COC(C=CC2)C3)CC1	REAL300012995725	0	56	0.0	-62.37	417.39	6.21	-56.16
CN1N=C(C(F)F)C=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300012996020	0	53	0.0	-66.09	426.88	5.81	-60.28
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CCCCC2C3(F)F)CC1	REAL300012996331	0	57	0.0	-66.75	426.97	8.41	-58.34
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1	REAL300012996464	0	60	0.0	-63.83	459.28	8.89	-54.94
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012996465	0	60	0.0	-78.69	452.55	6.65	-72.04
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N2CCCC2C(=O)[O-])CC1	REAL300012996466	0	58	0.0	-84.37	438.60	8.25	-76.12
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)NCC(=O)[O-])CC1	REAL300012996467	0	51	0.0	-68.51	397.24	4.47	-64.04
CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1)C(=O)[O-]	REAL300012996468	0	57	0.0	-77.60	439.02	6.34	-71.26
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300012996469	0	60	0.0	-78.69	452.55	6.65	-72.04
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N(C)CC(=O)[O-])CC1	REAL300012996470	0	54	0.0	-77.09	415.97	7.16	-69.93
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)NC(C)C(=O)[O-])CC1	REAL300012996471	0	54	0.0	-69.18	418.02	5.31	-63.87
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N(C)CC(=O)[O-])CC1	REAL300012996472	0	54	0.0	-77.09	415.97	7.16	-69.93
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012996473	0	60	0.0	-64.79	447.91	8.42	-56.37
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012996474	0	58	0.0	-65.10	441.05	8.66	-56.44
C=CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1	REAL300012996475	0	58	0.0	-63.62	450.59	8.70	-54.92
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)NC(C)(C)C(=O)[O-])CC1	REAL300012996476	0	57	0.0	-67.47	430.60	5.71	-61.76
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N(CC(=O)[O-])C(C)C)CC1	REAL300012996477	0	60	0.0	-64.79	447.91	8.42	-56.37
CCCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1	REAL300012996478	0	60	0.0	-63.83	459.28	8.89	-54.94
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1	REAL300012996479	0	57	0.0	-77.27	437.78	8.14	-69.13
CCC(C)(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1)C(=O)[O-]	REAL300012996480	0	60	0.0	-77.66	443.99	6.70	-70.96
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300012996481	0	54	0.0	-69.16	418.02	5.31	-63.85
CCN(CC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1	REAL300012996482	0	57	0.0	-77.27	437.78	8.14	-69.13
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N[C@H](C)C(=O)[O-])CC1	REAL300012996483	0	54	0.0	-69.38	418.34	5.27	-64.11
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CC2)CC1	REAL300012996484	0	55	0.0	-82.97	424.18	6.53	-76.44
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012996485	0	58	0.0	-79.07	446.23	6.82	-72.25
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012996486	0	58	0.0	-84.14	439.37	7.93	-76.21
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012996487	0	57	0.0	-73.84	430.37	7.28	-66.56
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012996488	0	58	0.0	-84.30	438.61	8.23	-76.07
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300012996489	0	58	0.0	-82.80	436.39	7.00	-75.80
C=CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1)C(=O)[O-]	REAL300012996490	0	58	0.0	-77.01	452.34	6.78	-70.23
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300012996491	0	58	0.0	-79.07	446.23	6.82	-72.25
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012996492	0	57	0.0	-74.82	429.95	7.39	-67.43
COCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1)C(=O)[O-]	REAL300012996493	0	58	0.0	-79.19	451.22	4.55	-74.64
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300012996494	0	58	0.0	-65.10	441.05	8.66	-56.44
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)NC(CF)C(=O)[O-])CC1	REAL300012996495	0	54	0.0	-66.68	421.65	5.32	-61.36
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N(C)C(C)C(=O)[O-])CC1	REAL300012996496	0	57	0.0	-74.82	429.95	7.39	-67.43
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)NC(CCF)C(=O)[O-])CC1	REAL300012996497	0	57	0.0	-76.50	445.61	6.48	-70.02
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012996498	0	57	0.0	-74.82	429.95	7.39	-67.43
COC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1)C(=O)[O-]	REAL300012996499	0	58	0.0	-79.72	451.71	4.57	-75.15
CC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1)C(=O)[O-]	REAL300012996500	0	57	0.0	-78.31	435.14	6.30	-72.01
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300012996501	0	58	0.0	-84.14	439.37	7.93	-76.21
CCCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1)C(=O)[O-]	REAL300012996502	0	60	0.0	-78.30	461.35	7.09	-71.21
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300012996503	0	60	0.0	-76.90	454.98	6.94	-69.96
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300012996504	0	60	0.0	-80.55	444.99	8.23	-72.32
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300012996505	0	58	0.0	-84.30	438.61	8.23	-76.07
CCC[C@@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1)C(=O)[O-]	REAL300012996506	0	60	0.0	-77.68	461.35	7.09	-70.59
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N[C@H](C(=O)[O-])C(C)C)CC1	REAL300012996507	0	60	0.0	-78.68	452.55	6.65	-72.03
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1	REAL300012996508	0	57	0.0	-74.82	429.95	7.39	-67.43
CCC[C@H](NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1)C(=O)[O-]	REAL300012996509	0	60	0.0	-78.30	461.35	7.09	-71.21
CCN(C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1)C(C)C(=O)[O-]	REAL300012996510	0	60	0.0	-78.55	450.63	8.85	-69.70
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300012996511	0	60	0.0	-78.88	450.21	7.80	-71.08
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1	REAL300012996512	0	60	0.0	-75.77	450.27	8.31	-67.46
C=CCC(NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2OC)CC1)C(=O)[O-]	REAL300012996513	0	58	0.0	-77.01	452.34	6.78	-70.23
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)NC2(C(=O)[O-])COC2)CC1	REAL300012996514	0	56	0.0	-76.19	431.81	4.08	-72.11
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1	REAL300012996515	0	57	0.0	-73.84	430.37	7.28	-66.56
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CC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300012999368	1	56	0.0	-67.30	402.93	8.40	-58.90
COCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999369	0	57	0.0	-67.87	424.81	5.60	-62.27
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CC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300012999372	1	56	0.0	-67.30	402.93	8.40	-58.90
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COC[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999377	1	57	0.0	-71.40	424.16	5.61	-65.79
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CC(C)[C@@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999381	1	59	0.0	-66.91	424.97	7.69	-59.22
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CCC[C@@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999384	0	59	0.0	-69.70	434.39	8.16	-61.54
CCC[C@@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999384	1	59	0.0	-66.34	434.04	8.21	-58.13
CC(C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999385	0	59	0.0	-69.10	432.82	7.88	-61.22
CC(C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999385	1	59	0.0	-69.17	426.96	7.92	-61.25
C[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300012999386	0	56	0.0	-66.92	407.78	8.33	-58.59
C[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300012999386	1	56	0.0	-64.66	406.81	8.21	-56.45
CCC[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999387	0	59	0.0	-66.26	434.63	8.10	-58.16
CCC[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999387	1	59	0.0	-65.85	438.28	8.06	-57.79
CCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(C)C(=O)[O-]	REAL300012999388	0	59	0.0	-64.38	422.35	9.26	-55.12
CCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(C)C(=O)[O-]	REAL300012999388	1	59	0.0	-63.99	425.26	9.19	-54.80
CC(CN(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999389	0	59	0.0	-71.21	423.48	8.79	-62.42
CC(CN(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999389	1	59	0.0	-71.42	428.86	8.79	-62.63
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300012999390	0	59	0.0	-63.88	423.52	9.48	-54.40
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300012999390	1	59	0.0	-68.60	423.21	9.36	-59.24
C=CCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999391	0	57	0.0	-69.78	425.99	7.87	-61.91
C=CCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999391	1	57	0.0	-66.46	431.01	7.70	-58.76
O=C([O-])C1(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(C2)CCOCC3)COC1	REAL300012999392	0	55	0.0	-65.06	409.41	5.01	-60.05
O=C([O-])C1(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(C2)CCOCC3)COC1	REAL300012999392	1	55	0.0	-64.14	408.36	4.99	-59.15
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300012999393	0	58	0.0	-76.15	422.41	10.33	-65.82
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300012999393	1	58	0.0	-77.66	423.68	10.39	-67.27
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300012999394	0	56	0.0	-66.50	404.16	8.39	-58.11
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300012999394	1	56	0.0	-66.47	408.66	8.36	-58.11
CC(C)C[C@H](NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999395	0	52	0.0	-61.59	373.78	5.09	-56.50
CC(C)C[C@H](NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999395	1	52	0.0	-63.19	379.24	5.02	-58.17
C=CCOCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999396	0	51	0.0	-64.66	382.03	3.65	-61.01
C=CCOCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999396	1	51	0.0	-68.89	386.65	3.71	-65.18
C=CC(C)C(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999397	0	50	0.0	-65.80	371.57	5.07	-60.73
C=CC(C)C(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999397	1	50	0.0	-62.71	367.08	4.95	-57.76
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC12CCOCC2	REAL300012999398	0	54	0.0	-62.34	387.56	3.73	-58.61
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC12CCOCC2	REAL300012999398	1	54	0.0	-71.12	384.99	3.66	-67.46
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC12CCOCC2	REAL300012999399	0	50	0.0	-66.36	383.78	6.04	-60.32
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC12CCOCC2	REAL300012999399	1	50	0.0	-63.89	388.70	5.95	-57.94
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC12CCOCC2	REAL300012999400	0	50	0.0	-66.06	393.67	6.49	-59.57
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC12CCOCC2	REAL300012999400	1	50	0.0	-63.60	398.59	6.40	-57.20
COC1CCN(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(C(=O)[O-])C1	REAL300012999401	0	54	0.0	-70.18	382.61	6.01	-64.17
COC1CCN(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(C(=O)[O-])C1	REAL300012999401	1	54	0.0	-75.60	376.28	6.09	-69.51
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC12CCOCC2	REAL300012999402	0	54	0.0	-61.84	383.54	3.92	-57.92
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)CC12CCOCC2	REAL300012999402	1	54	0.0	-65.63	384.52	3.72	-61.91
CC1CCN(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(C(=O)[O-])C1	REAL300012999403	0	53	0.0	-69.64	370.43	7.35	-62.29
CC1CCN(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(C(=O)[O-])C1	REAL300012999403	1	53	0.0	-73.03	359.17	7.05	-65.98
CC1=CC(C(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])=CC=C1F	REAL300012999404	0	53	0.0	-66.92	398.40	6.58	-60.34
CC1=CC(C(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])=CC=C1F	REAL300012999404	1	53	0.0	-65.65	402.74	6.53	-59.12
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC12CCOCC2	REAL300012999405	0	55	0.0	-69.60	406.99	5.76	-63.84
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC12CCOCC2	REAL300012999405	1	55	0.0	-64.11	412.60	5.62	-58.49
CC1=CC(C)=CC(C(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])=C1	REAL300012999406	0	56	0.0	-64.85	414.31	7.29	-57.56
CC1=CC(C)=CC(C(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])=C1	REAL300012999406	1	56	0.0	-67.05	418.80	7.39	-59.66
CC1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])C=C1C	REAL300012999407	0	56	0.0	-69.87	409.53	7.12	-62.75
CC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])C=C1C	REAL300012999407	1	56	0.0	-69.67	415.01	7.01	-62.66
CC1=CC=CC(C(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])=C1C	REAL300012999408	0	56	0.0	-61.36	405.56	7.26	-54.10
CC1=CC=CC(C(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])=C1C	REAL300012999408	1	56	0.0	-67.90	405.75	6.80	-61.10
COC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])C=C1F	REAL300012999409	0	54	0.0	-67.09	411.71	5.20	-61.89
COC1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])C=C1F	REAL300012999409	1	54	0.0	-70.38	407.40	5.25	-65.13
CCCN(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999410	0	49	0.0	-47.26	355.34	6.36	-40.90
CCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999410	1	49	0.0	-57.46	359.11	6.22	-51.24
CC(C(=O)[O-])N(C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C1CCC1	REAL300012999411	0	53	0.0	-41.64	368.22	7.52	-34.12
CC(C(=O)[O-])N(C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C1CCC1	REAL300012999411	1	53	0.0	-61.56	372.39	6.83	-54.73
CCCN(C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(COC)C(=O)[O-]	REAL300012999412	0	56	0.0	-62.27	398.32	6.20	-56.07
CCCN(C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(COC)C(=O)[O-]	REAL300012999412	1	56	0.0	-69.66	401.85	7.23	-62.43
CCCN(C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(CC)C(=O)[O-]	REAL300012999413	0	55	0.0	-43.71	384.33	8.09	-35.62
CCCN(C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(CC)C(=O)[O-]	REAL300012999413	1	55	0.0	-44.09	384.74	7.92	-36.17
CC(C)C(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999414	0	49	0.0	-66.82	354.72	4.25	-62.57
CC(C)C(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999414	1	49	0.0	-69.15	354.72	4.17	-64.98
C[N@@H+]1CC(NC(=O)N2CCCCC2C(=O)[O-])CC12CCOCC2	REAL300012999415	0	50	0.0	-72.71	345.11	6.73	-65.98
C[N@H+]1CC(NC(=O)N2CCCCC2C(=O)[O-])CC12CCOCC2	REAL300012999415	1	50	0.0	-69.83	349.42	6.83	-63.00
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC12CCOCC2	REAL300012999416	0	50	0.0	-61.63	388.46	6.41	-55.22
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC12CCOCC2	REAL300012999416	1	50	0.0	-63.40	392.71	6.58	-56.82
C[N@@H+]1CC(NC(=O)N2CCSCC2C(=O)[O-])CC12CCOCC2	REAL300012999417	0	48	0.0	-71.51	350.37	6.74	-64.77
C[N@H+]1CC(NC(=O)N2CCSCC2C(=O)[O-])CC12CCOCC2	REAL300012999417	1	48	0.0	-72.16	350.85	6.86	-65.30
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC12CCOCC2	REAL300012999418	0	53	0.0	-65.29	370.34	5.95	-59.34
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCC2)CC12CCOCC2	REAL300012999418	1	53	0.0	-65.66	369.92	5.92	-59.74
C[N@@H+]1CC(NC(=O)N2CCCC2C(=O)[O-])CC12CCOCC2	REAL300012999419	0	47	0.0	-74.27	341.51	5.20	-69.07
C[N@H+]1CC(NC(=O)N2CCCC2C(=O)[O-])CC12CCOCC2	REAL300012999419	1	47	0.0	-74.36	340.06	5.22	-69.14
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC2)CC12CCOCC2	REAL300012999420	0	50	0.0	-70.81	355.47	4.83	-65.98
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC2)CC12CCOCC2	REAL300012999420	1	50	0.0	-72.08	354.89	4.79	-67.29
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC12CCOCC2	REAL300012999421	0	56	0.0	-71.65	376.35	6.26	-65.39
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC12CCOCC2	REAL300012999421	1	56	0.0	-66.14	375.57	6.59	-59.55
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999422	0	53	0.0	-71.43	393.92	6.83	-64.60
C[N@H+]1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999422	1	53	0.0	-68.00	398.70	6.94	-61.06
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC12CCOCC2	REAL300012999423	0	53	0.0	-57.22	396.61	8.47	-48.75
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC12CCOCC2	REAL300012999423	1	53	0.0	-50.18	396.97	8.72	-41.46
C[N@@H+]1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC12CCOCC2	REAL300012999424	0	50	0.0	-68.56	376.71	5.77	-62.79
C[N@H+]1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC12CCOCC2	REAL300012999424	1	50	0.0	-63.67	376.48	5.86	-57.81
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC12CCOCC2	REAL300012999425	0	50	0.0	-69.61	371.68	5.88	-63.73
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC12CCOCC2	REAL300012999425	1	50	0.0	-67.35	376.41	6.01	-61.34
CC(C)C(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999426	0	49	0.0	-66.82	354.72	4.25	-62.57
CC(C)C(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999426	1	49	0.0	-69.15	354.72	4.17	-64.98
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999427	0	53	0.0	-71.43	393.92	6.83	-64.60
C[N@H+]1CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999427	1	53	0.0	-68.00	398.70	6.94	-61.06
CCC(C)C(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999428	0	52	0.0	-67.55	375.02	5.12	-62.43
CCC(C)C(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999428	1	52	0.0	-70.42	366.79	4.78	-65.64
C[N@@H+]1CC(NC(=O)N2CCCCC2C(=O)[O-])CC12CCOCC2	REAL300012999429	0	50	0.0	-72.71	345.11	6.73	-65.98
C[N@H+]1CC(NC(=O)N2CCCCC2C(=O)[O-])CC12CCOCC2	REAL300012999429	1	50	0.0	-69.83	349.42	6.83	-63.00
CCCC(C)(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999430	0	52	0.0	-66.94	366.18	4.83	-62.11
CCCC(C)(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999430	1	52	0.0	-67.80	366.04	4.83	-62.97
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999431	0	49	0.0	-58.13	350.29	5.92	-52.21
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999431	1	49	0.0	-51.30	350.31	5.94	-45.36
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])C2CC2)CC12CCOCC2	REAL300012999432	0	47	0.0	-51.85	341.71	6.03	-45.82
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])C2CC2)CC12CCOCC2	REAL300012999432	1	47	0.0	-51.26	342.36	6.26	-45.00
C=CCN(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999433	0	47	0.0	-57.19	350.42	6.03	-51.16
C=CCN(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999433	1	47	0.0	-57.25	351.28	6.07	-51.18
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999434	0	52	0.0	-57.10	374.38	6.57	-50.53
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999434	1	52	0.0	-57.10	373.53	6.54	-50.56
C[N@@H+]1CC(NC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC12CCOCC2	REAL300012999435	0	54	0.0	-71.93	388.51	8.82	-63.11
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C[N@@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2CC2)CC12CCOCC2	REAL300012999436	0	50	0.0	-67.88	354.38	5.06	-62.82
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C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)CC12CCOCC2	REAL300012999437	1	47	0.0	-65.92	368.05	5.09	-60.83
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CC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999440	0	49	0.0	-58.13	350.29	5.92	-52.21
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999440	1	49	0.0	-51.30	350.31	5.94	-45.36
CCCN(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999441	0	49	0.0	-47.26	355.34	6.36	-40.90
CCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999441	1	49	0.0	-57.46	359.11	6.22	-51.24
CC[C@H](C)[C@H](NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999442	0	52	0.0	-62.74	371.28	4.87	-57.87
CC[C@H](C)[C@H](NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999442	1	52	0.0	-69.34	373.30	4.79	-64.55
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC2)CC12CCOCC2	REAL300012999443	0	50	0.0	-70.81	355.47	4.83	-65.98
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C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC12CCOCC2	REAL300012999444	1	53	0.0	-55.56	403.93	8.57	-46.99
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C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC12CCOCC2	REAL300012999446	0	54	0.0	-71.16	395.90	7.09	-64.07
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC12CCOCC2	REAL300012999446	1	54	0.0	-67.12	394.10	7.14	-59.98
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC12CCOCC2	REAL300012999447	0	50	0.0	-68.06	388.22	6.05	-62.01
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC12CCOCC2	REAL300012999447	1	50	0.0	-63.62	387.30	6.00	-57.62
C[N@@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC12CCOCC2	REAL300012999448	0	53	0.0	-69.84	379.50	6.66	-63.18
C[N@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC12CCOCC2	REAL300012999448	1	53	0.0	-62.04	383.99	6.76	-55.28
CCCCCCC(C)(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999449	0	61	0.0	-60.49	430.65	7.31	-53.18
CCCCCCC(C)(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999449	1	61	0.0	-67.95	430.54	7.17	-60.78
CN(C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012999450	0	56	0.0	-62.45	406.98	8.84	-53.61
CN(C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012999450	1	56	0.0	-70.71	409.54	8.96	-61.75
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC12CCOCC2	REAL300012999451	0	50	0.0	-61.63	388.46	6.41	-55.22
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC12CCOCC2	REAL300012999451	1	50	0.0	-63.40	392.71	6.58	-56.82
C[N@@H+]1CC(NC(=O)N2CCOCC2C(=O)[O-])CC12CCOCC2	REAL300012999452	0	48	0.0	-71.01	341.65	4.21	-66.80
C[N@H+]1CC(NC(=O)N2CCOCC2C(=O)[O-])CC12CCOCC2	REAL300012999452	1	48	0.0	-70.52	341.36	4.18	-66.34
CN(C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C1(C(=O)[O-])CCCCC1	REAL300012999453	0	56	0.0	-72.88	378.49	7.18	-65.70
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C[N@H+]1CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999459	1	47	0.0	-69.79	341.34	5.21	-64.58
C[N@@H+]1CC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999460	0	50	0.0	-70.01	349.18	6.54	-63.47
C[N@H+]1CC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999460	1	50	0.0	-69.30	349.60	6.81	-62.49
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C[N@H+]1CC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC12CCOCC2	REAL300012999461	1	47	0.0	-67.73	340.93	5.41	-62.32
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC2)CC12CCOCC2	REAL300012999462	0	47	0.0	-67.20	336.42	4.53	-62.67
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC2)CC12CCOCC2	REAL300012999462	1	47	0.0	-65.09	341.57	4.54	-60.55
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C[N@@H+]1CC(NC(=O)N2CCCC2(C)C(=O)[O-])CC12CCOCC2	REAL300012999464	0	50	0.0	-70.98	355.89	6.33	-64.65
C[N@H+]1CC(NC(=O)N2CCCC2(C)C(=O)[O-])CC12CCOCC2	REAL300012999464	1	50	0.0	-66.74	356.47	6.14	-60.60
C[N@@H+]1CC(NC(=O)N2CCCCCC2C(=O)[O-])CC12CCOCC2	REAL300012999465	0	53	0.0	-69.81	363.45	7.27	-62.54
C[N@H+]1CC(NC(=O)N2CCCCCC2C(=O)[O-])CC12CCOCC2	REAL300012999465	1	53	0.0	-71.57	366.04	7.68	-63.89
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CC2)CC12CCOCC2	REAL300012999466	0	47	0.0	-69.47	346.92	4.20	-65.27
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CC2)CC12CCOCC2	REAL300012999466	1	47	0.0	-68.38	343.94	4.14	-64.24
CCCCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999467	0	52	0.0	-68.10	383.54	5.25	-62.85
CCCCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999467	1	52	0.0	-62.71	378.30	5.43	-57.28
C[N@@H+]1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC12CCOCC2	REAL300012999468	0	56	0.0	-57.71	421.30	9.45	-48.26
C[N@H+]1CC(NC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])CC12CCOCC2	REAL300012999468	1	56	0.0	-48.35	415.25	9.39	-38.96
C[N@@H+]1CC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC12CCOCC2	REAL300012999469	0	50	0.0	-66.72	356.38	6.15	-60.57
C[N@H+]1CC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])CC12CCOCC2	REAL300012999469	1	50	0.0	-73.99	356.28	6.18	-67.81
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC12CCOCC2	REAL300012999470	0	53	0.0	-57.19	374.81	7.08	-50.11
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC12CCOCC2	REAL300012999470	1	53	0.0	-48.70	369.09	6.92	-41.78
COCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999471	0	47	0.0	-63.50	351.90	2.15	-61.35
COCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999471	1	47	0.0	-69.98	353.75	2.14	-67.84
CCCCCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999472	0	55	0.0	-67.45	404.20	6.05	-61.40
CCCCCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999472	1	55	0.0	-62.68	399.80	6.21	-56.47
CCC1CCC(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)(C(=O)[O-])CC1	REAL300012999473	0	59	0.0	-65.39	409.00	7.17	-58.22
CCC1CCC(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)(C(=O)[O-])CC1	REAL300012999473	1	59	0.0	-71.83	408.99	7.17	-64.66
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC12CCOCC2	REAL300012999474	0	54	0.0	-57.69	383.54	5.46	-52.23
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CN(C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C1(C(=O)[O-])CCCC1	REAL300012999475	1	53	0.0	-75.03	366.30	6.53	-68.50
CC(C(=O)[O-])N(C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C1CC1	REAL300012999476	0	50	0.0	-54.46	356.77	6.20	-48.26
CC(C(=O)[O-])N(C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C1CC1	REAL300012999476	1	50	0.0	-55.02	356.84	6.12	-48.90
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C[N@@H+]1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC12CCOCC2	REAL300012999482	0	59	0.0	-69.97	422.35	7.06	-62.91
C[N@H+]1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC12CCOCC2	REAL300012999482	1	59	0.0	-62.75	420.65	6.98	-55.77
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999483	0	56	0.0	-48.76	409.34	9.23	-39.53
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999483	1	56	0.0	-49.59	409.32	9.10	-40.49
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CC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])C=C1	REAL300012999484	1	53	0.0	-62.43	396.98	6.69	-55.74
C[N@@H+]1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC12CCOCC2	REAL300012999485	0	46	0.0	-63.21	351.48	4.50	-58.71
C[N@H+]1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC12CCOCC2	REAL300012999485	1	46	0.0	-62.12	356.47	4.40	-57.72
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC12CCOCC2	REAL300012999486	0	56	0.0	-65.95	421.84	8.01	-57.94
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC12CCOCC2	REAL300012999486	1	56	0.0	-65.27	422.41	8.12	-57.15
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC12CCOCC2	REAL300012999487	0	51	0.0	-68.34	367.62	5.61	-62.73
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCSCC2)CC12CCOCC2	REAL300012999487	1	51	0.0	-62.44	367.63	5.61	-56.83
COCC(C)(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999488	0	50	0.0	-71.10	362.93	3.35	-67.75
COCC(C)(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999488	1	50	0.0	-66.35	362.79	3.36	-62.99
CCOCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999489	0	53	0.0	-65.14	382.42	5.21	-59.93
CCOCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999489	1	53	0.0	-61.77	384.44	5.28	-56.49
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999490	0	52	0.0	-57.10	374.38	6.57	-50.53
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999490	1	52	0.0	-57.10	373.53	6.54	-50.56
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999491	0	59	0.0	-53.37	417.14	9.26	-44.11
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999491	1	59	0.0	-54.72	417.63	9.05	-45.67
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])C2CC2)CC12CCOCC2	REAL300012999492	0	47	0.0	-51.85	341.71	6.03	-45.82
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])C2CC2)CC12CCOCC2	REAL300012999492	1	47	0.0	-51.26	342.36	6.26	-45.00
C[N@@H+]1CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC12CCOCC2	REAL300012999493	0	49	0.0	-58.11	377.24	6.60	-51.51
C[N@H+]1CC(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC12CCOCC2	REAL300012999493	1	49	0.0	-47.43	373.48	6.74	-40.69
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCOC2)CC12CCOCC2	REAL300012999494	0	48	0.0	-66.21	346.15	2.24	-63.97
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCOC2)CC12CCOCC2	REAL300012999494	1	48	0.0	-60.29	345.71	2.40	-57.89
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC12CCOCC2	REAL300012999495	0	56	0.0	-65.15	389.27	6.02	-59.13
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC12CCOCC2	REAL300012999495	1	56	0.0	-63.50	394.58	6.25	-57.25
CN(C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(COC1CCC1)C(=O)[O-]	REAL300012999496	0	57	0.0	-65.28	409.56	6.61	-58.67
CN(C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(COC1CCC1)C(=O)[O-]	REAL300012999496	1	57	0.0	-68.39	412.09	6.66	-61.73
C[N@@H+]1CC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC12CCOCC2	REAL300012999497	0	57	0.0	-73.64	416.00	10.02	-63.62
C[N@H+]1CC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)CC12CCOCC2	REAL300012999497	1	57	0.0	-71.80	414.53	9.87	-61.93
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC12CCOCC2	REAL300012999498	0	51	0.0	-71.50	361.34	3.42	-68.08
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCOCC2)CC12CCOCC2	REAL300012999498	1	51	0.0	-69.07	360.72	3.60	-65.47
C=CCCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999499	0	50	0.0	-62.53	369.61	5.21	-57.32
C=CCCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999499	1	50	0.0	-67.82	374.86	5.03	-62.79
C[N@@H+]1CC(NC(=O)NC(CF)C(=O)[O-])CC12CCOCC2	REAL300012999500	0	43	0.0	-56.18	317.65	2.79	-53.39
C[N@H+]1CC(NC(=O)NC(CF)C(=O)[O-])CC12CCOCC2	REAL300012999500	1	43	0.0	-56.01	322.64	2.68	-53.33
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999501	0	56	0.0	-48.43	407.16	9.67	-38.76
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999501	1	56	0.0	-52.51	408.94	9.55	-42.96
CCC(CC)(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999502	0	52	0.0	-67.92	361.35	4.96	-62.96
CCC(CC)(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999502	1	52	0.0	-62.82	361.23	4.97	-57.85
COC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])C=C1	REAL300012999503	0	54	0.0	-66.33	405.47	5.35	-60.98
COC1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])C=C1	REAL300012999503	1	54	0.0	-69.61	401.17	5.18	-64.43
CCC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999504	0	52	0.0	-55.10	372.36	7.08	-48.02
CCC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999504	1	52	0.0	-50.09	369.07	6.86	-43.23
CCC(COC)(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999505	0	53	0.0	-65.21	379.09	4.46	-60.75
CCC(COC)(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999505	1	53	0.0	-67.44	374.37	4.37	-63.07
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999506	0	56	0.0	-65.99	403.30	6.06	-59.93
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999506	1	56	0.0	-67.77	405.60	6.08	-61.69
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC12CCOCC2	REAL300012999507	0	53	0.0	-73.90	386.45	1.93	-71.97
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)CC12CCOCC2	REAL300012999507	1	53	0.0	-68.01	386.42	1.92	-66.09
C[N@@H+]1CC(NC(=O)NC(CC2CC2)C(=O)[O-])CC12CCOCC2	REAL300012999508	0	50	0.0	-67.95	372.84	5.38	-62.57
C[N@H+]1CC(NC(=O)NC(CC2CC2)C(=O)[O-])CC12CCOCC2	REAL300012999508	1	50	0.0	-66.80	371.88	5.47	-61.33
COCCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999509	0	50	0.0	-68.27	373.38	2.78	-65.49
COCCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999509	1	50	0.0	-63.17	368.98	2.94	-60.23
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999510	0	55	0.0	-61.21	389.22	7.48	-53.73
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999510	1	55	0.0	-67.89	390.25	7.19	-60.70
C[N@@H+]1CC(NC(=O)NC(CC(F)F)C(=O)[O-])CC12CCOCC2	REAL300012999511	0	46	0.0	-63.57	347.90	4.10	-59.47
C[N@H+]1CC(NC(=O)NC(CC(F)F)C(=O)[O-])CC12CCOCC2	REAL300012999511	1	46	0.0	-67.39	352.06	4.01	-63.38
CCCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999512	0	56	0.0	-73.74	393.38	8.38	-65.36
CCCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999512	1	56	0.0	-74.90	391.88	8.05	-66.85
CCCN(C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(C)C(=O)[O-]	REAL300012999513	0	52	0.0	-68.03	373.45	7.21	-60.82
CCCN(C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(C)C(=O)[O-]	REAL300012999513	1	52	0.0	-43.36	370.79	7.13	-36.23
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999514	0	56	0.0	-69.86	407.29	9.58	-60.28
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999514	1	56	0.0	-43.54	409.41	9.34	-34.20
CCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300012999515	0	56	0.0	-64.20	401.39	7.46	-56.74
CCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300012999515	1	56	0.0	-70.90	396.41	7.52	-63.38
COC1CCCC(C(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])C1	REAL300012999516	0	60	0.0	-68.28	425.10	5.06	-63.22
COC1CCCC(C(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])C1	REAL300012999516	1	60	0.0	-70.49	427.59	5.36	-65.13
C[N@@H+]1CC(NC(=O)NC(CCF)C(=O)[O-])CC12CCOCC2	REAL300012999517	0	46	0.0	-62.62	342.14	3.95	-58.67
C[N@H+]1CC(NC(=O)NC(CCF)C(=O)[O-])CC12CCOCC2	REAL300012999517	1	46	0.0	-67.60	347.13	3.85	-63.75
COC1(CC(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])CCC1	REAL300012999518	0	57	0.0	-67.13	406.03	4.95	-62.18
COC1(CC(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])CCC1	REAL300012999518	1	57	0.0	-68.78	409.43	5.10	-63.68
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC12CCOCC2	REAL300012999519	0	54	0.0	-57.69	383.54	5.46	-52.23
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)CC12CCOCC2	REAL300012999519	1	54	0.0	-57.78	383.18	5.44	-52.34
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC12CCOCC2	REAL300012999520	0	56	0.0	-56.33	393.66	7.95	-48.38
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)CC12CCOCC2	REAL300012999520	1	56	0.0	-57.63	392.13	7.81	-49.82
C[C@H]1CC[C@@](NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)(C(=O)[O-])CC1	REAL300012999521	0	56	0.0	-71.65	383.81	6.31	-65.34
C[C@H]1CC[C@@](NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)(C(=O)[O-])CC1	REAL300012999521	1	56	0.0	-73.21	385.27	6.44	-66.77
COC1=CC=CC(C(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])=C1	REAL300012999522	0	54	0.0	-66.04	405.94	5.15	-60.89
COC1=CC=CC(C(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])=C1	REAL300012999522	1	54	0.0	-70.50	406.23	5.05	-65.45
C[N@@H+]1CC(NC(=O)NC(C)(CCF)C(=O)[O-])CC12CCOCC2	REAL300012999523	0	49	0.0	-59.32	351.13	4.22	-55.10
C[N@H+]1CC(NC(=O)NC(C)(CCF)C(=O)[O-])CC12CCOCC2	REAL300012999523	1	49	0.0	-57.79	351.25	4.36	-53.43
C[N@@H+]1CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC12CCOCC2	REAL300012999524	0	51	0.0	-56.68	373.53	6.24	-50.44
C[N@H+]1CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC12CCOCC2	REAL300012999524	1	51	0.0	-60.42	372.90	6.47	-53.95
C[N@@H+]1CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999525	0	47	0.0	-67.63	353.08	5.44	-62.19
C[N@H+]1CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999525	1	47	0.0	-64.57	354.36	5.39	-59.18
COC1=CC=CC([C@H](NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])=C1	REAL300012999526	0	54	0.0	-65.22	405.57	5.24	-59.98
COC1=CC=CC([C@H](NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])=C1	REAL300012999526	1	54	0.0	-66.05	405.95	5.15	-60.90
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C1	REAL300012999527	0	56	0.0	-69.60	404.39	7.42	-62.18
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C1	REAL300012999527	1	56	0.0	-69.72	406.47	6.65	-63.07
COC1=CC=CC(CC(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])=C1	REAL300012999528	0	57	0.0	-73.40	428.28	6.04	-67.36
COC1=CC=CC(CC(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])=C1	REAL300012999528	1	57	0.0	-63.28	428.51	6.13	-57.15
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC12CCOCC2	REAL300012999529	0	59	0.0	-72.15	397.94	6.78	-65.37
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC12CCOCC2	REAL300012999529	1	59	0.0	-65.38	397.95	6.78	-58.60
C[N@@H+]1CC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC12CCOCC2	REAL300012999530	0	48	0.0	-77.40	341.61	6.35	-71.05
C[N@H+]1CC(NC(=O)N2CC3CC2(C(=O)[O-])C3)CC12CCOCC2	REAL300012999530	1	48	0.0	-71.07	343.94	6.47	-64.60
COC1CN(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(C)(C(=O)[O-])C1	REAL300012999531	0	54	0.0	-63.44	388.66	5.39	-58.05
COC1CN(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(C)(C(=O)[O-])C1	REAL300012999531	1	54	0.0	-75.07	389.50	5.14	-69.93
C[N@@H+]1CC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC12CCOCC2	REAL300012999532	0	57	0.0	-63.00	402.76	5.33	-57.67
C[N@H+]1CC(NC(=O)NC(CC2CCCOC2)C(=O)[O-])CC12CCOCC2	REAL300012999532	1	57	0.0	-61.30	407.47	5.43	-55.87
C[N@@H+]1CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC12CCOCC2	REAL300012999533	0	52	0.0	-63.16	369.60	4.84	-58.32
C[N@H+]1CC(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC12CCOCC2	REAL300012999533	1	52	0.0	-67.95	369.70	4.82	-63.13
C=C(Cl)CC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999534	0	47	0.0	-59.05	363.77	5.00	-54.05
C=C(Cl)CC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999534	1	47	0.0	-58.79	368.77	4.89	-53.90
C=C(C)CC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999535	0	50	0.0	-69.78	369.40	5.01	-64.77
C=C(C)CC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999535	1	50	0.0	-62.82	373.44	5.08	-57.74
C[N@@H+]1CC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC12CCOCC2	REAL300012999536	0	51	0.0	-75.29	359.26	7.09	-68.20
C[N@H+]1CC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)CC12CCOCC2	REAL300012999536	1	51	0.0	-75.23	354.51	7.13	-68.10
C[N@@H+]1CC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC12CCOCC2	REAL300012999537	0	56	0.0	-61.54	409.91	7.12	-54.42
C[N@H+]1CC(NC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC12CCOCC2	REAL300012999537	1	56	0.0	-59.79	408.01	7.17	-52.62
C[N@@H+]1CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC12CCOCC2	REAL300012999538	0	47	0.0	-68.87	354.61	5.54	-63.33
C[N@H+]1CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC12CCOCC2	REAL300012999538	1	47	0.0	-68.16	353.07	5.39	-62.77
C[N@@H+]1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC12CCOCC2	REAL300012999539	0	47	0.0	-66.38	346.59	5.31	-61.07
C[N@H+]1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC12CCOCC2	REAL300012999539	1	47	0.0	-65.65	342.07	5.36	-60.29
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C1	REAL300012999540	0	48	0.0	-72.82	353.51	5.67	-67.15
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C1	REAL300012999540	1	48	0.0	-67.11	352.82	5.63	-61.48
C[N@@H+]1CC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC12CCOCC2	REAL300012999541	0	57	0.0	-69.46	407.69	5.20	-64.26
C[N@H+]1CC(NC(=O)NC(CC2CCOCC2)C(=O)[O-])CC12CCOCC2	REAL300012999541	1	57	0.0	-70.17	411.99	4.52	-65.65
CC(C)C[C@H](NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999542	0	52	0.0	-61.59	373.78	5.09	-56.50
CC(C)C[C@H](NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999542	1	52	0.0	-63.19	379.24	5.02	-58.17
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC12CCOCC2	REAL300012999543	0	54	0.0	-62.34	387.56	3.73	-58.61
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)CC12CCOCC2	REAL300012999543	1	54	0.0	-71.12	384.99	3.66	-67.46
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC12CCOCC2	REAL300012999544	0	50	0.0	-69.61	371.68	5.88	-63.73
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)CC12CCOCC2	REAL300012999544	1	50	0.0	-67.35	376.41	6.01	-61.34
C[N@@H+]1CC(NC(=O)NC(CC2CC2)C(=O)[O-])CC12CCOCC2	REAL300012999545	0	50	0.0	-67.95	372.84	5.38	-62.57
C[N@H+]1CC(NC(=O)NC(CC2CC2)C(=O)[O-])CC12CCOCC2	REAL300012999545	1	50	0.0	-66.80	371.88	5.47	-61.33
C[N@@H+]1CC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC12CCOCC2	REAL300012999546	0	49	0.0	-63.50	380.48	4.03	-59.47
C[N@H+]1CC(NC(=O)NC(CC2=CN=CS2)C(=O)[O-])CC12CCOCC2	REAL300012999546	1	49	0.0	-66.65	385.43	3.92	-62.73
CC(C)CCCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999547	0	58	0.0	-67.51	421.77	6.55	-60.96
CC(C)CCCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999547	1	58	0.0	-63.32	417.61	6.66	-56.66
C[N@@H+]1CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC12CCOCC2	REAL300012999548	0	54	0.0	-68.42	394.54	4.58	-63.84
C[N@H+]1CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])CC12CCOCC2	REAL300012999548	1	54	0.0	-68.22	390.07	4.65	-63.57
CSCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999549	0	47	0.0	-59.63	363.52	4.33	-55.30
CSCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999549	1	47	0.0	-65.13	365.49	4.26	-60.87
COC[C@H](NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999550	0	47	0.0	-63.91	352.37	2.09	-61.82
COC[C@H](NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999550	1	47	0.0	-64.35	352.39	1.95	-62.40
C[N@@H+]1CC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC12CCOCC2	REAL300012999551	0	53	0.0	-67.16	405.38	6.79	-60.37
C[N@H+]1CC(NC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC12CCOCC2	REAL300012999551	1	53	0.0	-65.43	404.88	7.00	-58.43
CCC(C)CC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999552	0	55	0.0	-62.47	396.61	5.86	-56.61
CCC(C)CC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999552	1	55	0.0	-69.35	398.35	5.87	-63.48
C=CCCCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999553	0	53	0.0	-62.78	391.11	5.99	-56.79
C=CCCCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999553	1	53	0.0	-67.61	396.35	5.81	-61.80
C[N@@H+]1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC12CCOCC2	REAL300012999554	0	53	0.0	-62.68	404.36	6.81	-55.87
C[N@H+]1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC12CCOCC2	REAL300012999554	1	53	0.0	-61.53	405.06	7.00	-54.53
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC12CCOCC2	REAL300012999555	0	56	0.0	-71.84	419.14	8.04	-63.80
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC12CCOCC2	REAL300012999555	1	56	0.0	-65.88	416.53	8.12	-57.76
C[N@@H+]1CC(NC(=O)N2CCSCC2C(=O)[O-])CC12CCOCC2	REAL300012999556	0	48	0.0	-71.51	350.37	6.74	-64.77
C[N@H+]1CC(NC(=O)N2CCSCC2C(=O)[O-])CC12CCOCC2	REAL300012999556	1	48	0.0	-72.16	350.85	6.86	-65.30
C[N@@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC12CCOCC2	REAL300012999557	0	53	0.0	-69.84	379.50	6.66	-63.18
C[N@H+]1CC(NC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC12CCOCC2	REAL300012999557	1	53	0.0	-62.04	383.99	6.76	-55.28
C[N@@H+]1CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999558	0	47	0.0	-73.38	340.12	5.24	-68.14
C[N@H+]1CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999558	1	47	0.0	-69.79	341.34	5.21	-64.58
CCCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999559	0	49	0.0	-62.02	361.54	4.67	-57.35
CCCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999559	1	49	0.0	-62.52	363.52	4.62	-57.90
CC(C)[C@@H](NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999560	0	49	0.0	-62.18	351.97	4.11	-58.07
CC(C)[C@@H](NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999560	1	49	0.0	-67.45	355.71	4.31	-63.14
C[N@@H+]1CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC12CCOCC2	REAL300012999561	0	51	0.0	-74.54	361.26	7.19	-67.35
C[N@H+]1CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CC12CCOCC2	REAL300012999561	1	51	0.0	-74.69	355.80	7.23	-67.46
CCN(C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(C)(C)C(=O)[O-]	REAL300012999562	0	52	0.0	-63.71	365.27	6.47	-57.24
CCN(C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(C)(C)C(=O)[O-]	REAL300012999562	1	52	0.0	-70.73	365.08	6.46	-64.27
CCCN(C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(C)C(=O)[O-]	REAL300012999563	0	52	0.0	-68.03	373.45	7.21	-60.82
CCCN(C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(C)C(=O)[O-]	REAL300012999563	1	52	0.0	-43.36	370.79	7.13	-36.23
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC12CCOCC2	REAL300012999564	0	46	0.0	-62.69	354.57	6.16	-56.53
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC12CCOCC2	REAL300012999564	1	46	0.0	-61.44	352.59	6.21	-55.23
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC12CCOCC2	REAL300012999565	0	46	0.0	-62.69	354.57	6.16	-56.53
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)CC12CCOCC2	REAL300012999565	1	46	0.0	-61.44	352.59	6.21	-55.23
CN(C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(C)(C)C(=O)[O-]	REAL300012999566	0	49	0.0	-62.74	345.30	5.79	-56.95
CN(C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(C)(C)C(=O)[O-]	REAL300012999566	1	49	0.0	-72.54	347.11	5.76	-66.78
C[N@@H+]1CC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC12CCOCC2	REAL300012999567	0	47	0.0	-68.78	340.02	5.24	-63.54
C[N@H+]1CC(NC(=O)N2CCC[C@H]2C(=O)[O-])CC12CCOCC2	REAL300012999567	1	47	0.0	-67.73	340.93	5.41	-62.32
C[N@@H+]1CC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC12CCOCC2	REAL300012999568	0	59	0.0	-59.52	421.82	4.10	-55.42
C[N@H+]1CC(NC(=O)N(CCN2CCOCC2)CC(=O)[O-])CC12CCOCC2	REAL300012999568	1	59	0.0	-57.59	426.78	4.16	-53.43
C[N@@H+]1CC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999569	0	48	0.0	-75.93	351.32	1.91	-74.02
C[N@H+]1CC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999569	1	48	0.0	-69.69	351.29	1.91	-67.78
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)CC1	REAL300012999570	1	63	0.0	-57.28	451.98	4.03	-53.25
CN1CCN(CCN(CC(=O)[O-])C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)CC1	REAL300012999570	1	63	0.0	-59.06	447.01	3.97	-55.09
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999571	0	54	0.0	-57.15	389.53	8.58	-48.57
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999571	1	54	0.0	-56.56	394.39	8.43	-48.13
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)[C@H]1C(=O)[O-]	REAL300012999572	0	57	0.0	-60.74	403.61	8.86	-51.88
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)[C@H]1C(=O)[O-]	REAL300012999572	1	57	0.0	-54.76	403.54	8.75	-46.01
CCC[C@@H](NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999573	0	49	0.0	-66.49	361.54	4.67	-61.82
CCC[C@@H](NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999573	1	49	0.0	-67.75	361.79	4.53	-63.22
C[N@@H+]1CC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC12CCOCC2	REAL300012999574	0	55	0.0	-68.81	396.02	6.91	-61.90
C[N@H+]1CC(NC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])CC12CCOCC2	REAL300012999574	1	55	0.0	-67.00	396.19	7.05	-59.95
C[N@@H+]1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC12CCOCC2	REAL300012999575	0	50	0.0	-68.56	376.71	5.77	-62.79
C[N@H+]1CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)CC12CCOCC2	REAL300012999575	1	50	0.0	-63.67	376.48	5.86	-57.81
C[N@@H+]1CC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999576	0	55	0.0	-70.86	416.76	5.75	-65.11
C[N@H+]1CC(NC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999576	1	55	0.0	-64.79	416.80	5.88	-58.91
C=CCCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999577	0	50	0.0	-62.53	369.61	5.21	-57.32
C=CCCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999577	1	50	0.0	-67.82	374.86	5.03	-62.79
C[N@@H+]1CC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC12CCOCC2	REAL300012999578	0	49	0.0	-60.15	385.49	3.78	-56.37
C[N@H+]1CC(NC(=O)NC(CC2=NC=CS2)C(=O)[O-])CC12CCOCC2	REAL300012999578	1	49	0.0	-66.09	385.15	3.80	-62.29
C[N@@H+]1CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC12CCOCC2	REAL300012999579	0	50	0.0	-60.92	404.89	5.55	-55.37
C[N@H+]1CC(NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])CC12CCOCC2	REAL300012999579	1	50	0.0	-59.52	400.38	5.60	-53.92
C[N@@H+]1CC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC12CCOCC2	REAL300012999580	0	50	0.0	-81.19	369.72	3.16	-78.03
C[N@H+]1CC(NC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC12CCOCC2	REAL300012999580	1	50	0.0	-80.44	369.75	3.17	-77.27
CN1CC(C(=O)[O-])N(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)CC1=O	REAL300012999581	0	51	0.0	-64.13	367.60	5.00	-59.13
CN1CC(C(=O)[O-])N(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)CC1=O	REAL300012999581	1	51	0.0	-64.29	366.99	4.87	-59.42
C[N@@H+]1CC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC12CCOCC2	REAL300012999582	0	50	0.0	-73.99	356.28	6.17	-67.82
C[N@H+]1CC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])CC12CCOCC2	REAL300012999582	1	50	0.0	-71.51	355.68	6.36	-65.15
CC(C)[C@H](NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999583	0	49	0.0	-61.28	352.07	4.29	-56.99
CC(C)[C@H](NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999583	1	49	0.0	-64.09	353.11	4.04	-60.05
C[N@@H+]1CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC12CCOCC2	REAL300012999584	0	50	0.0	-68.40	378.20	5.88	-62.52
C[N@H+]1CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)CC12CCOCC2	REAL300012999584	1	50	0.0	-63.73	376.64	5.93	-57.80
C[N@@H+]1CC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC12CCOCC2	REAL300012999585	0	53	0.0	-69.26	385.51	5.26	-64.00
C[N@H+]1CC(NC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])CC12CCOCC2	REAL300012999585	1	53	0.0	-68.57	386.07	5.26	-63.31
CCC[C@H](NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999586	0	49	0.0	-61.37	356.58	4.56	-56.81
CCC[C@H](NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999586	1	49	0.0	-62.88	361.09	4.49	-58.39
CCN(C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(C)C(=O)[O-]	REAL300012999587	0	49	0.0	-60.80	349.02	5.83	-54.97
CCN(C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(C)C(=O)[O-]	REAL300012999587	1	49	0.0	-61.04	348.23	5.54	-55.50
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC12CCOCC2	REAL300012999588	0	53	0.0	-57.19	374.81	7.08	-50.11
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])C2CCCC2)CC12CCOCC2	REAL300012999588	1	53	0.0	-48.70	369.09	6.92	-41.78
CC(CN(C)C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999589	0	49	0.0	-70.39	352.62	5.64	-64.75
CC(CN(C)C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999589	1	49	0.0	-69.14	352.11	5.24	-63.90
CC[C@H](C)[C@H](NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999590	0	52	0.0	-62.74	371.28	4.87	-57.87
CC[C@H](C)[C@H](NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999590	1	52	0.0	-69.34	373.30	4.79	-64.55
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999591	0	49	0.0	-60.88	351.99	5.99	-54.89
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999591	1	49	0.0	-67.32	351.31	5.73	-61.59
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC12CCOCC2	REAL300012999592	0	51	0.0	-71.91	366.92	1.71	-70.20
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)CC12CCOCC2	REAL300012999592	1	51	0.0	-70.76	372.12	1.60	-69.16
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999593	0	59	0.0	-63.93	424.04	5.18	-58.75
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999593	1	59	0.0	-65.62	423.90	5.03	-60.59
CC1CCC(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)(C(=O)[O-])C1	REAL300012999594	0	53	0.0	-68.86	376.15	5.60	-63.26
CC1CCC(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)(C(=O)[O-])C1	REAL300012999594	1	53	0.0	-71.40	376.61	5.46	-65.94
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC12CCOCC2	REAL300012999595	0	56	0.0	-72.01	387.65	6.26	-65.75
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)CC12CCOCC2	REAL300012999595	1	56	0.0	-64.35	386.09	6.17	-58.18
COCCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999596	0	50	0.0	-68.27	373.38	2.78	-65.49
COCCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999596	1	50	0.0	-63.17	368.98	2.94	-60.23
CN(C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012999597	0	56	0.0	-62.45	406.98	8.84	-53.61
CN(C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300012999597	1	56	0.0	-70.71	409.54	8.96	-61.75
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC12CCOCC2	REAL300012999598	0	53	0.0	-72.66	377.98	6.12	-66.54
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)C2)CC12CCOCC2	REAL300012999598	1	53	0.0	-69.65	377.30	6.28	-63.37
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC12CCOCC2	REAL300012999599	0	50	0.0	-64.41	361.92	5.07	-59.34
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2(C)CC2)CC12CCOCC2	REAL300012999599	1	50	0.0	-68.38	366.21	4.87	-63.51
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999600	0	59	0.0	-68.39	423.07	5.12	-63.27
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999600	1	59	0.0	-62.41	425.95	5.11	-57.30
C[N@@H+]1CC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999601	0	48	0.0	-74.15	352.77	2.24	-71.91
C[N@H+]1CC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999601	1	48	0.0	-73.43	349.93	2.12	-71.31
C[N@@H+]1CC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC12CCOCC2	REAL300012999602	0	58	0.0	-56.92	418.86	9.22	-47.70
C[N@H+]1CC(NC(=O)N2CC3(CC3)C3=CC=CC=C3C2C(=O)[O-])CC12CCOCC2	REAL300012999602	1	58	0.0	-54.35	418.65	9.53	-44.82
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC12CCOCC2	REAL300012999603	0	51	0.0	-71.64	362.43	2.81	-68.83
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCOC2)CC12CCOCC2	REAL300012999603	1	51	0.0	-62.64	367.48	2.67	-59.97
C[N@@H+]1CC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC12CCOCC2	REAL300012999604	0	51	0.0	-72.23	360.86	6.76	-65.47
C[N@H+]1CC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])CC12CCOCC2	REAL300012999604	1	51	0.0	-76.40	361.34	6.74	-69.66
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC12CCOCC2	REAL300012999605	0	54	0.0	-75.70	410.36	5.95	-69.75
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC12CCOCC2	REAL300012999605	1	54	0.0	-71.72	408.62	5.85	-65.87
C[N@@H+]1CC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC12CCOCC2	REAL300012999606	0	49	0.0	-74.12	348.94	4.53	-69.59
C[N@H+]1CC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)CC12CCOCC2	REAL300012999606	1	49	0.0	-70.73	353.41	4.47	-66.26
CC1CCC(C(=O)[O-])N(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C1	REAL300012999607	0	53	0.0	-70.09	370.52	7.38	-62.71
CC1CCC(C(=O)[O-])N(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C1	REAL300012999607	1	53	0.0	-73.31	361.29	7.57	-65.74
CC(C1=CC=CC=C1)C(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999608	0	56	0.0	-61.62	412.92	7.18	-54.44
CC(C1=CC=CC=C1)C(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999608	1	56	0.0	-62.94	409.15	7.24	-55.70
C[N@@H+]1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC12CCOCC2	REAL300012999609	0	57	0.0	-63.71	408.20	6.95	-56.76
C[N@H+]1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC12CCOCC2	REAL300012999609	1	57	0.0	-62.71	413.18	6.98	-55.73
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCC2)CC12CCOCC2	REAL300012999610	0	50	0.0	-70.16	368.70	4.92	-65.24
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCC2)CC12CCOCC2	REAL300012999610	1	50	0.0	-69.69	356.05	4.67	-65.02
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC12CCOCC2	REAL300012999611	0	63	0.0	-64.12	432.88	6.40	-57.72
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C)(C)OC(C)(C)C2)CC12CCOCC2	REAL300012999611	1	63	0.0	-70.10	433.05	6.51	-63.59
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC12CCOCC2	REAL300012999612	0	56	0.0	-65.15	389.27	6.02	-59.13
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)CC12CCOCC2	REAL300012999612	1	56	0.0	-63.50	394.58	6.25	-57.25
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCC2)CC12CCOCC2	REAL300012999613	0	50	0.0	-70.16	368.70	4.92	-65.24
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCC2)CC12CCOCC2	REAL300012999613	1	50	0.0	-69.69	356.05	4.67	-65.02
CC1CCN(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C1C(=O)[O-]	REAL300012999614	0	50	0.0	-70.64	361.93	5.80	-64.84
CC1CCN(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C1C(=O)[O-]	REAL300012999614	1	50	0.0	-75.34	360.50	5.90	-69.44
C=CCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999615	0	47	0.0	-62.51	348.58	4.34	-58.17
C=CCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999615	1	47	0.0	-62.09	353.58	4.23	-57.86
C[N@@H+]1CC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC12CCOCC2	REAL300012999616	0	57	0.0	-67.47	411.92	5.40	-62.07
C[N@H+]1CC(NC(=O)NC(CC2CCCCO2)C(=O)[O-])CC12CCOCC2	REAL300012999616	1	57	0.0	-69.92	414.25	5.08	-64.84
C[N@@H+]1CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC12CCOCC2	REAL300012999617	0	57	0.0	-56.34	396.44	7.72	-48.62
C[N@H+]1CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC12CCOCC2	REAL300012999617	1	57	0.0	-44.24	386.41	7.43	-36.81
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC12CCOCC2	REAL300012999618	0	57	0.0	-65.24	390.55	4.71	-60.53
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)CC12CCOCC2	REAL300012999618	1	57	0.0	-65.14	390.53	4.70	-60.44
CC1=CC=CC2=C1CCN(C(=O)NC1C[N@@H+](C)C3(C1)CCOCC3)C2C(=O)[O-]	REAL300012999619	0	57	0.0	-54.25	409.03	8.65	-45.60
CC1=CC=CC2=C1CCN(C(=O)NC1C[N@H+](C)C3(C1)CCOCC3)C2C(=O)[O-]	REAL300012999619	1	57	0.0	-78.14	403.39	9.20	-68.94
C[N@@H+]1CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC12CCOCC2	REAL300012999620	0	51	0.0	-40.22	364.16	6.75	-33.47
C[N@H+]1CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])CC12CCOCC2	REAL300012999620	1	51	0.0	-46.48	362.03	6.63	-39.85
C[N@@H+]1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC12CCOCC2	REAL300012999621	0	57	0.0	-63.71	408.20	6.95	-56.76
C[N@H+]1CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])CC12CCOCC2	REAL300012999621	1	57	0.0	-62.71	413.18	6.98	-55.73
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC12CCOCC2	REAL300012999622	0	53	0.0	-61.82	405.66	6.84	-54.98
C[N@H+]1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC12CCOCC2	REAL300012999622	1	53	0.0	-71.69	405.18	6.81	-64.88
COC1CC(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)(C(=O)[O-])C1	REAL300012999623	0	51	0.0	-62.56	373.31	3.28	-59.28
COC1CC(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)(C(=O)[O-])C1	REAL300012999623	1	51	0.0	-69.70	369.87	3.48	-66.22
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC12CCOCC2	REAL300012999624	0	47	0.0	-66.00	345.09	4.55	-61.45
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)CC12CCOCC2	REAL300012999624	1	47	0.0	-68.24	349.81	4.63	-63.61
CO[C@H]1C[C@](NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)(C(=O)[O-])C1	REAL300012999625	0	51	0.0	-61.46	373.33	3.42	-58.04
CO[C@H]1C[C@](NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)(C(=O)[O-])C1	REAL300012999625	1	51	0.0	-67.34	373.33	3.29	-64.05
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC12CCOCC2	REAL300012999626	0	50	0.0	-65.79	378.95	5.36	-60.43
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)CC12CCOCC2	REAL300012999626	1	50	0.0	-62.53	381.98	5.06	-57.47
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999627	0	53	0.0	-73.52	371.88	7.62	-65.90
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999627	1	53	0.0	-74.02	372.26	7.21	-66.81
C[N@@H+]1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC12CCOCC2	REAL300012999628	0	46	0.0	-63.21	351.48	4.50	-58.71
C[N@H+]1CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])CC12CCOCC2	REAL300012999628	1	46	0.0	-62.12	356.47	4.40	-57.72
C[N@@H+]1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC12CCOCC2	REAL300012999629	0	54	0.0	-61.73	385.42	4.49	-57.24
C[N@H+]1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC12CCOCC2	REAL300012999629	1	54	0.0	-62.69	395.36	3.91	-58.78
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])COC2)CC12CCOCC2	REAL300012999630	0	45	0.0	-66.19	332.35	1.45	-64.74
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])COC2)CC12CCOCC2	REAL300012999630	1	45	0.0	-63.87	331.72	1.63	-62.24
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC12CCOCC2	REAL300012999631	0	50	0.0	-70.21	392.33	5.92	-64.29
C[N@H+]1CC(NC(=O)NC(CC2=CC=CS2)C(=O)[O-])CC12CCOCC2	REAL300012999631	1	50	0.0	-62.54	391.05	5.73	-56.81
COCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300012999632	0	57	0.0	-62.91	417.60	5.78	-57.13
COCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300012999632	1	57	0.0	-68.43	412.50	5.85	-62.58
CC(C)C(C)(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999633	0	52	0.0	-67.51	359.60	4.69	-62.82
CC(C)C(C)(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999633	1	52	0.0	-68.34	359.47	4.70	-63.64
C[N@@H+]1CC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999634	0	48	0.0	-72.45	346.83	6.90	-65.55
C[N@H+]1CC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999634	1	48	0.0	-73.65	346.50	6.80	-66.85
C[N@@H+]1CC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999635	0	51	0.0	-74.56	362.97	6.38	-68.18
C[N@H+]1CC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999635	1	51	0.0	-70.56	362.63	6.21	-64.35
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999636	0	56	0.0	-69.86	407.29	9.58	-60.28
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999636	1	56	0.0	-43.54	409.41	9.34	-34.20
C[N@@H+]1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC12CCOCC2	REAL300012999637	0	59	0.0	-69.97	422.35	7.06	-62.91
C[N@H+]1CC(NC(=O)NC(CC2CCCCC2)C(=O)[O-])CC12CCOCC2	REAL300012999637	1	59	0.0	-62.75	420.65	6.98	-55.77
C[N@@H+]1CC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999638	0	56	0.0	-63.47	421.70	7.56	-55.91
C[N@H+]1CC(NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999638	1	56	0.0	-63.06	421.68	7.71	-55.35
C[N@@H+]1CC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999639	0	56	0.0	-68.76	421.70	7.56	-61.20
C[N@H+]1CC(NC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999639	1	56	0.0	-67.49	421.45	7.70	-59.79
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC12CCOCC2	REAL300012999640	0	57	0.0	-71.56	402.68	6.40	-65.16
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)CC12CCOCC2	REAL300012999640	1	57	0.0	-63.71	399.87	6.63	-57.08
C[N@@H+]1CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC12CCOCC2	REAL300012999641	0	59	0.0	-63.41	421.01	7.03	-56.38
C[N@H+]1CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC12CCOCC2	REAL300012999641	1	59	0.0	-67.64	420.53	7.16	-60.48
C[N@@H+]1CC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC12CCOCC2	REAL300012999642	0	59	0.0	-62.39	420.03	6.92	-55.47
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C[N@@H+]1CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC12CCOCC2	REAL300012999643	0	57	0.0	-39.27	402.64	7.71	-31.56
C[N@H+]1CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])CC12CCOCC2	REAL300012999643	1	57	0.0	-51.92	400.86	7.79	-44.13
C[N@@H+]1CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999644	0	57	0.0	-70.48	400.48	7.67	-62.81
C[N@H+]1CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999644	1	57	0.0	-73.72	397.65	7.45	-66.27
COC1=CC=C(CC(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])C=C1	REAL300012999645	0	57	0.0	-68.48	428.41	6.02	-62.46
COC1=CC=C(CC(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])C=C1	REAL300012999645	1	57	0.0	-69.56	422.58	6.14	-63.42
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C=CCSCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999646	1	51	0.0	-63.32	398.01	5.72	-57.60
C[N@@H+]1CC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC12CCOCC2	REAL300012999647	0	54	0.0	-69.87	413.91	7.24	-62.63
C[N@H+]1CC(NC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])CC12CCOCC2	REAL300012999647	1	54	0.0	-67.95	418.91	7.12	-60.83
CCC(C(=O)[O-])N(CC)C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999648	0	52	0.0	-66.70	365.21	6.66	-60.04
CCC(C(=O)[O-])N(CC)C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999648	1	52	0.0	-61.59	364.74	6.40	-55.19
COC1(C(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])CCC1	REAL300012999649	0	54	0.0	-64.52	379.93	4.51	-60.01
COC1(C(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])CCC1	REAL300012999649	1	54	0.0	-64.86	388.72	3.52	-61.34
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC12CCOCC2	REAL300012999650	0	56	0.0	-70.05	395.51	6.00	-64.05
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)CC12CCOCC2	REAL300012999650	1	56	0.0	-64.87	395.19	5.99	-58.88
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC12CCOCC2	REAL300012999651	0	57	0.0	-71.94	403.02	7.92	-64.02
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)CC12CCOCC2	REAL300012999651	1	57	0.0	-67.83	407.40	8.02	-59.81
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC12CCOCC2	REAL300012999652	0	50	0.0	-75.01	373.30	5.27	-69.74
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)CC12CCOCC2	REAL300012999652	1	50	0.0	-61.81	371.67	5.14	-56.67
CC(C)C1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])C=C1	REAL300012999654	0	59	0.0	-62.87	436.40	7.91	-54.96
CC(C)C1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])C=C1	REAL300012999654	1	59	0.0	-63.71	431.71	7.90	-55.81
C[N@@H+]1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC12CCOCC2	REAL300012999655	0	47	0.0	-66.38	346.59	5.31	-61.07
C[N@H+]1CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC12CCOCC2	REAL300012999655	1	47	0.0	-65.65	342.07	5.36	-60.29
C[N@@H+]1CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC12CCOCC2	REAL300012999656	0	49	0.0	-46.81	355.12	6.40	-40.41
C[N@H+]1CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])CC12CCOCC2	REAL300012999656	1	49	0.0	-46.26	354.53	6.50	-39.76
C[N@@H+]1CC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC12CCOCC2	REAL300012999657	0	53	0.0	-74.63	375.43	6.24	-68.39
C[N@H+]1CC(NC(=O)N2CCC(C)(C)C2C(=O)[O-])CC12CCOCC2	REAL300012999657	1	53	0.0	-73.70	375.86	6.39	-67.31
CCOC1=CC=C(C(NC(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C(=O)[O-])C=C1	REAL300012999658	0	57	0.0	-63.12	427.52	6.19	-56.93
CCOC1=CC=C(C(NC(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C(=O)[O-])C=C1	REAL300012999658	1	57	0.0	-64.07	422.83	6.19	-57.88
C[N@@H+]1CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC12CCOCC2	REAL300012999659	0	57	0.0	-73.14	394.28	8.22	-64.92
C[N@H+]1CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])CC12CCOCC2	REAL300012999659	1	57	0.0	-71.94	396.40	8.47	-63.47
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC12CCOCC2	REAL300012999660	0	57	0.0	-68.63	418.82	7.78	-60.85
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)CC12CCOCC2	REAL300012999660	1	57	0.0	-66.74	418.26	7.96	-58.78
C[N@@H+]1CC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999661	0	57	0.0	-68.25	419.00	6.82	-61.43
C[N@H+]1CC(NC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999661	1	57	0.0	-72.95	419.13	6.81	-66.14
C[N@@H+]1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC12CCOCC2	REAL300012999662	0	53	0.0	-61.21	407.05	6.99	-54.22
C[N@H+]1CC(NC(=O)N[C@@H](CC2=CC=C(F)C=C2F)C(=O)[O-])CC12CCOCC2	REAL300012999662	1	53	0.0	-59.12	406.92	7.19	-51.93
CC(C)CCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999663	0	55	0.0	-68.38	401.11	5.77	-62.61
CC(C)CCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999663	1	55	0.0	-62.79	395.87	5.94	-56.85
C[N@@H+]1CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC12CCOCC2	REAL300012999664	0	54	0.0	-54.29	386.13	7.10	-47.19
C[N@H+]1CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])CC12CCOCC2	REAL300012999664	1	54	0.0	-52.56	385.55	7.29	-45.27
C[N@@H+]1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC12CCOCC2	REAL300012999665	0	54	0.0	-61.73	385.42	4.49	-57.24
C[N@H+]1CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])CC12CCOCC2	REAL300012999665	1	54	0.0	-62.69	395.36	3.91	-58.78
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C1	REAL300012999666	0	51	0.0	-70.63	382.59	6.78	-63.85
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C1	REAL300012999666	1	51	0.0	-71.94	383.94	6.90	-65.04
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC12CCOCC2	REAL300012999667	0	54	0.0	-74.60	376.14	6.60	-68.00
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)CC12CCOCC2	REAL300012999667	1	54	0.0	-66.83	375.83	6.57	-60.26
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC12CCOCC2	REAL300012999668	0	51	0.0	-67.27	362.90	5.66	-61.61
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)CC12CCOCC2	REAL300012999668	1	51	0.0	-66.36	362.88	5.70	-60.66
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC12CCOCC2	REAL300012999669	0	54	0.0	-65.33	385.48	6.20	-59.13
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)CC12CCOCC2	REAL300012999669	1	54	0.0	-65.08	389.73	6.47	-58.61
CN(C(=O)NC1C[N@H+](C)C2(C1)CCOCC2)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012999670	0	56	0.0	-63.56	407.46	8.65	-54.91
CN(C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300012999670	1	56	0.0	-63.67	408.39	8.79	-54.88
C[N@@H+]1CC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC12CCOCC2	REAL300012999671	0	60	0.0	-54.69	416.10	8.03	-46.66
C[N@H+]1CC(NC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)CC12CCOCC2	REAL300012999671	1	60	0.0	-46.28	415.58	8.17	-38.11
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC12CCOCC2	REAL300012999672	0	53	0.0	-63.41	371.77	5.40	-58.01
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCC2)CC12CCOCC2	REAL300012999672	1	53	0.0	-61.42	375.13	5.41	-56.01
CO[C@H](C)[C@H](NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999673	0	50	0.0	-62.70	369.91	3.21	-59.49
CO[C@H](C)[C@H](NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999673	1	50	0.0	-64.93	370.42	2.96	-61.97
CC1[C@@H](C)[C@@]1(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999674	0	50	0.0	-65.74	354.55	4.95	-60.79
CC1[C@@H](C)[C@@]1(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999674	1	50	0.0	-64.74	353.86	4.90	-59.84
C[N@@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC12CCOCC2	REAL300012999675	0	53	0.0	-57.22	396.61	8.47	-48.75
C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)CC12CCOCC2	REAL300012999675	1	53	0.0	-50.18	396.97	8.72	-41.46
C[N@@H+]1CC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC12CCOCC2	REAL300012999676	0	53	0.0	-54.78	380.01	6.36	-48.42
C[N@H+]1CC(NC(=O)N2CC(C)(C)CC2C(=O)[O-])CC12CCOCC2	REAL300012999676	1	53	0.0	-54.26	378.24	6.36	-47.90
C[N@@H+]1CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC12CCOCC2	REAL300012999677	0	50	0.0	-71.01	361.41	6.72	-64.29
C[N@H+]1CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])CC12CCOCC2	REAL300012999677	1	50	0.0	-72.35	362.06	6.94	-65.41
C[N@@H+]1CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC12CCOCC2	REAL300012999678	0	47	0.0	-79.79	346.99	5.45	-74.34
C[N@H+]1CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])CC12CCOCC2	REAL300012999678	1	47	0.0	-68.43	350.74	5.69	-62.74
C[N@@H+]1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC12CCOCC2	REAL300012999679	0	53	0.0	-61.82	405.66	6.84	-54.98
C[N@H+]1CC(NC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])CC12CCOCC2	REAL300012999679	1	53	0.0	-71.69	405.18	6.81	-64.88
C[N@@H+]1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999680	0	50	0.0	-70.32	384.80	5.74	-64.58
C[N@H+]1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999680	1	50	0.0	-67.68	388.89	5.69	-61.99
C[N@@H+]1CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC12CCOCC2	REAL300012999681	0	50	0.0	-74.09	369.16	6.42	-67.67
C[N@H+]1CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])CC12CCOCC2	REAL300012999681	1	50	0.0	-72.11	368.07	6.34	-65.77
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC12CCOCC2	REAL300012999682	0	54	0.0	-64.31	403.39	6.46	-57.85
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)CC12CCOCC2	REAL300012999682	1	54	0.0	-71.90	403.97	6.48	-65.42
C[N@@H+]1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999683	0	50	0.0	-70.32	384.80	5.74	-64.58
C[N@H+]1CC(NC(=O)NC(CC2=CSC=C2)C(=O)[O-])CC12CCOCC2	REAL300012999683	1	50	0.0	-67.68	388.89	5.69	-61.99
C[N@@H+]1CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999684	0	54	0.0	-69.88	379.66	6.93	-62.95
C[N@H+]1CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CC12CCOCC2	REAL300012999684	1	54	0.0	-70.45	378.10	6.79	-63.66
COCCCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999685	0	53	0.0	-66.52	394.88	3.55	-62.97
COCCCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999685	1	53	0.0	-63.11	390.72	3.65	-59.46
CCCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](C)C2(C1)CCOCC2	REAL300012999686	0	52	0.0	-64.93	371.94	6.76	-58.17
CCCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](C)C2(C1)CCOCC2	REAL300012999686	1	52	0.0	-61.64	373.86	6.62	-55.02
CCOCC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999687	0	50	0.0	-68.17	373.62	3.17	-65.00
CCOCC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300012999687	1	50	0.0	-71.10	368.77	3.02	-68.08
C[N@@H+]1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC12CCOCC2	REAL300012999688	0	55	0.0	-70.10	385.51	6.23	-63.87
C[N@H+]1CC(NC(=O)NC(CC(C)(C)C)C(=O)[O-])CC12CCOCC2	REAL300012999688	1	55	0.0	-61.52	390.01	6.32	-55.20
C[N@@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC12CCOCC2	REAL300012999689	0	54	0.0	-71.12	392.34	4.24	-66.88
C[N@H+]1CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)CC12CCOCC2	REAL300012999689	1	54	0.0	-69.06	391.56	4.48	-64.58
C[N@@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC12CCOCC2	REAL300012999690	0	54	0.0	-71.16	395.90	7.09	-64.07
C[N@H+]1CC(NC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)CC12CCOCC2	REAL300012999690	1	54	0.0	-67.12	394.10	7.14	-59.98
C[C@H]1OCCN(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)[C@@H]1C(=O)[O-]	REAL300012999691	0	51	0.0	-72.80	361.76	5.19	-67.61
C[C@H]1OCCN(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)[C@@H]1C(=O)[O-]	REAL300012999691	1	51	0.0	-70.49	362.06	5.17	-65.32
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C[N@H+]1CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)CC12CCOCC2	REAL300012999694	1	50	0.0	-57.96	379.05	6.67	-51.29
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C[N@H+]1CC(NC(=O)N2CC3(CCOCC3)CCC2C(=O)[O-])CC12CCOCC2	REAL300012999695	1	61	0.0	-69.08	410.27	7.43	-61.65
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CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](C)C3(C2)CCOCC3)C1	REAL300012999697	0	54	0.0	-73.40	394.28	5.59	-67.81
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](C)C3(C2)CCOCC3)C1	REAL300012999697	1	54	0.0	-65.90	393.50	5.66	-60.24
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C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CNC3=CC=C(F)C=C23)CC1	REAL300013000161	0	54	0.0	-72.44	429.58	7.55	-64.89
CC(C)C[C@H](NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000294	0	53	0.0	-70.78	394.71	6.98	-63.80
CC(C)C[C@H](NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000294	1	53	0.0	-70.84	397.19	7.30	-63.54
C=CCOCC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000295	0	52	0.0	-72.98	402.49	5.38	-67.60
C=CCOCC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000295	1	52	0.0	-73.33	404.61	5.68	-67.65
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CC(C)[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)CC1=CC=CO1	REAL300013000297	0	55	0.0	-73.85	404.51	5.64	-68.21
CC(C)[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)CC1=CC=CO1	REAL300013000297	1	55	0.0	-74.73	403.80	5.72	-69.01
CC(C)[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)CC1=CC=CO1	REAL300013000298	0	51	0.0	-66.85	404.84	7.74	-59.11
CC(C)[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)CC1=CC=CO1	REAL300013000298	1	51	0.0	-66.32	406.37	8.06	-58.26
COC1CCN(C(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C(C(=O)[O-])C1	REAL300013000299	0	55	0.0	-83.59	401.83	8.10	-75.49
COC1CCN(C(=O)NCC[N@@H+](CC2=CC=CO2)C(C)C)C(C(=O)[O-])C1	REAL300013000299	1	55	0.0	-80.47	398.68	7.88	-72.59
CC(C)[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCOC1)CC1=CC=CO1	REAL300013000300	0	55	0.0	-70.57	400.47	5.36	-65.21
CC(C)[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCOC1)CC1=CC=CO1	REAL300013000300	1	55	0.0	-70.55	403.20	5.75	-64.80
CC(C)[N@H+](CCNC(=O)N1CCC(C)CC1C(=O)[O-])CC1=CC=CO1	REAL300013000301	0	54	0.0	-79.64	379.81	8.89	-70.75
CC(C)[N@@H+](CCNC(=O)N1CCC(C)CC1C(=O)[O-])CC1=CC=CO1	REAL300013000301	1	54	0.0	-79.45	382.18	9.10	-70.35
CC1=CC(C(NC(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])=CC=C1F	REAL300013000302	0	54	0.0	-69.25	422.87	8.57	-60.68
CC1=CC(C(NC(=O)NCC[N@@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])=CC=C1F	REAL300013000302	1	54	0.0	-68.64	420.41	8.64	-60.00
CC1=CC(C)=CC(C(NC(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])=C1	REAL300013000303	0	57	0.0	-72.36	438.71	9.27	-63.09
CC1=CC(C)=CC(C(NC(=O)NCC[N@@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])=C1	REAL300013000303	1	57	0.0	-73.03	437.72	9.35	-63.68
CC1=CC=C(C(NC(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])C=C1C	REAL300013000304	0	57	0.0	-72.83	430.56	8.83	-64.00
CC1=CC=C(C(NC(=O)NCC[N@@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])C=C1C	REAL300013000304	1	57	0.0	-72.16	432.08	9.14	-63.02
CC1=CC=CC(C(NC(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])=C1C	REAL300013000305	0	57	0.0	-71.16	421.20	8.63	-62.53
CC1=CC=CC(C(NC(=O)NCC[N@@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])=C1C	REAL300013000305	1	57	0.0	-72.39	424.34	8.94	-63.45
CCCN(CC(=O)[O-])C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C	REAL300013000306	0	50	0.0	-54.88	375.44	8.11	-46.77
CCCN(CC(=O)[O-])C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C	REAL300013000306	1	50	0.0	-55.16	377.56	8.41	-46.75
CC(C)[N@H+](CCNC(=O)N(C(C)C(=O)[O-])C1CCC1)CC1=CC=CO1	REAL300013000307	0	54	0.0	-59.57	387.72	8.44	-51.13
CC(C)[N@@H+](CCNC(=O)N(C(C)C(=O)[O-])C1CCC1)CC1=CC=CO1	REAL300013000307	1	54	0.0	-58.12	392.93	8.98	-49.14
CCCN(C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(COC)C(=O)[O-]	REAL300013000308	0	57	0.0	-70.03	414.36	7.75	-62.28
CCCN(C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(COC)C(=O)[O-]	REAL300013000308	1	57	0.0	-71.10	416.12	8.07	-63.03
CCCN(C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(CC)C(=O)[O-]	REAL300013000309	0	56	0.0	-75.33	408.32	10.01	-65.32
CCCN(C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(CC)C(=O)[O-]	REAL300013000309	1	56	0.0	-60.83	403.81	9.38	-51.45
CC(C)C(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000310	0	50	0.0	-70.39	371.13	6.16	-64.23
CC(C)C(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000310	1	50	0.0	-70.02	369.25	6.14	-63.88
CC(C)[N@H+](CCNC(=O)N1CCCCC1C(=O)[O-])CC1=CC=CO1	REAL300013000311	0	51	0.0	-80.99	369.94	9.05	-71.94
CC(C)[N@@H+](CCNC(=O)N1CCCCC1C(=O)[O-])CC1=CC=CO1	REAL300013000311	1	51	0.0	-80.87	368.88	9.08	-71.79
CC(C)[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)CC1=CC=CO1	REAL300013000312	0	51	0.0	-68.17	408.26	8.17	-60.00
CC(C)[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)CC1=CC=CO1	REAL300013000312	1	51	0.0	-68.31	410.44	8.46	-59.85
CC(C)[N@H+](CCNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=CO1	REAL300013000313	0	49	0.0	-79.50	369.31	8.84	-70.66
CC(C)[N@@H+](CCNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=CO1	REAL300013000313	1	49	0.0	-77.84	377.43	9.04	-68.80
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCCC1)CC1=CC=CO1	REAL300013000314	0	54	0.0	-74.48	385.53	7.76	-66.72
CC(C)[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCCC1)CC1=CC=CO1	REAL300013000314	1	54	0.0	-74.62	387.64	8.06	-66.56
CC(C)[N@H+](CCNC(=O)N1CCCC1C(=O)[O-])CC1=CC=CO1	REAL300013000315	0	48	0.0	-76.66	354.76	7.45	-69.21
CC(C)[N@@H+](CCNC(=O)N1CCCC1C(=O)[O-])CC1=CC=CO1	REAL300013000315	1	48	0.0	-76.72	356.88	7.75	-68.97
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCC1)CC1=CC=CO1	REAL300013000316	0	51	0.0	-74.48	374.42	6.87	-67.61
CC(C)[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCC1)CC1=CC=CO1	REAL300013000316	1	51	0.0	-74.30	373.15	7.02	-67.28
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCCCC1)CC1=CC=CO1	REAL300013000317	0	57	0.0	-75.37	391.18	8.43	-66.94
CC(C)[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCCCC1)CC1=CC=CO1	REAL300013000317	1	57	0.0	-75.16	393.90	8.82	-66.34
CC(C)[N@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000318	0	54	0.0	-72.99	414.44	8.56	-64.43
CC(C)[N@@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000318	1	54	0.0	-73.30	416.56	8.85	-64.45
CC(C)[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)CC1=CC=CO1	REAL300013000319	0	54	0.0	-54.72	412.93	10.36	-44.36
CC(C)[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)CC1=CC=CO1	REAL300013000319	1	54	0.0	-54.92	415.66	10.75	-44.17
CC(C)[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CO1	REAL300013000320	0	51	0.0	-72.11	396.17	7.85	-64.26
CC(C)[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CO1	REAL300013000320	1	51	0.0	-72.66	394.30	7.91	-64.75
CC(C)[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CO1	REAL300013000321	0	51	0.0	-71.30	391.54	7.65	-63.65
CC(C)[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CO1	REAL300013000321	1	51	0.0	-72.20	394.26	7.91	-64.29
CCC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000322	0	47	0.0	-71.31	356.01	5.54	-65.77
CCC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000322	1	47	0.0	-71.75	358.13	5.85	-65.90
CC(C)C(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000323	0	50	0.0	-70.39	371.13	6.16	-64.23
CC(C)C(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000323	1	50	0.0	-70.02	369.25	6.14	-63.88
CC(C)[N@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000324	0	54	0.0	-72.99	414.44	8.56	-64.43
CC(C)[N@@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000324	1	54	0.0	-73.30	416.56	8.85	-64.45
CCC(C)C(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000325	0	53	0.0	-70.45	385.59	6.48	-63.97
CCC(C)C(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000325	1	53	0.0	-72.68	393.11	7.05	-65.63
CC(C)[N@H+](CCNC(=O)N1CCCCC1C(=O)[O-])CC1=CC=CO1	REAL300013000326	0	51	0.0	-80.99	369.94	9.05	-71.94
CC(C)[N@@H+](CCNC(=O)N1CCCCC1C(=O)[O-])CC1=CC=CO1	REAL300013000326	1	51	0.0	-80.87	368.88	9.08	-71.79
CCCC(C)(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000327	0	53	0.0	-70.55	381.64	6.68	-63.87
CCCC(C)(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000327	1	53	0.0	-70.72	383.77	6.97	-63.75
CC(C)N(CC(=O)[O-])C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C	REAL300013000328	0	50	0.0	-55.71	363.97	7.62	-48.09
CC(C)N(CC(=O)[O-])C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C	REAL300013000328	1	50	0.0	-55.93	366.24	7.92	-48.01
CC(C)[N@H+](CCNC(=O)N(CC(=O)[O-])C1CC1)CC1=CC=CO1	REAL300013000329	0	48	0.0	-56.05	357.23	7.89	-48.16
CC(C)[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CC1)CC1=CC=CO1	REAL300013000329	1	48	0.0	-56.16	359.75	8.19	-47.97
C=CCN(CC(=O)[O-])C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C	REAL300013000330	0	48	0.0	-54.70	366.75	7.92	-46.78
C=CCN(CC(=O)[O-])C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C	REAL300013000330	1	48	0.0	-54.92	368.87	8.21	-46.71
CC(C)CN(CC(=O)[O-])C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C	REAL300013000331	0	53	0.0	-54.18	389.85	8.42	-45.76
CC(C)CN(CC(=O)[O-])C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C	REAL300013000331	1	53	0.0	-54.54	391.96	8.71	-45.83
CC(C)[N@H+](CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])CC1=CC=CO1	REAL300013000332	0	55	0.0	-81.38	406.79	11.05	-70.33
CC(C)[N@@H+](CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])CC1=CC=CO1	REAL300013000332	1	55	0.0	-81.00	405.49	11.02	-69.98
CC(C)[N@H+](CCNC(=O)NC(C)(C)C(=O)[O-])CC1=CC=CO1	REAL300013000333	0	47	0.0	-61.23	346.75	4.92	-56.31
CC(C)[N@@H+](CCNC(=O)NC(C)(C)C(=O)[O-])CC1=CC=CO1	REAL300013000333	1	47	0.0	-61.84	348.88	5.22	-56.62
CC(C)[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C1CC1)CC1=CC=CO1	REAL300013000334	0	51	0.0	-71.83	373.64	6.92	-64.91
CC(C)[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C1CC1)CC1=CC=CO1	REAL300013000334	1	51	0.0	-71.95	372.36	7.06	-64.89
CC(C)[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CS1)CC1=CC=CO1	REAL300013000335	0	48	0.0	-69.49	383.16	6.73	-62.76
CC(C)[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CS1)CC1=CC=CO1	REAL300013000335	1	48	0.0	-70.44	385.73	7.07	-63.37
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCCC1)CC1=CC=CO1	REAL300013000336	0	54	0.0	-74.48	385.53	7.76	-66.72
CC(C)[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCCC1)CC1=CC=CO1	REAL300013000336	1	54	0.0	-74.62	387.64	8.06	-66.56
CC(C)N(CC(=O)[O-])C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C	REAL300013000337	0	50	0.0	-55.71	363.97	7.62	-48.09
CC(C)N(CC(=O)[O-])C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C	REAL300013000337	1	50	0.0	-55.93	366.24	7.92	-48.01
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CCCN(CC(=O)[O-])C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C	REAL300013000338	1	50	0.0	-55.16	377.56	8.41	-46.75
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CC(C)[N@H+](CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1=CC=CO1	REAL300013000392	0	50	0.0	-55.42	393.57	8.49	-46.93
CC(C)[N@@H+](CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1=CC=CO1	REAL300013000392	1	50	0.0	-55.77	395.69	8.79	-46.98
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CCOC1)CC1=CC=CO1	REAL300013000393	0	49	0.0	-70.06	365.52	4.31	-65.75
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CC(C)[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCC1)CC1=CC=CO1	REAL300013000394	0	57	0.0	-72.36	409.06	7.83	-64.53
CC(C)[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCC1)CC1=CC=CO1	REAL300013000394	1	57	0.0	-72.43	412.13	8.21	-64.22
CC(C)[N@H+](CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-])CC1=CC=CO1	REAL300013000395	0	58	0.0	-70.02	425.50	8.32	-61.70
CC(C)[N@@H+](CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-])CC1=CC=CO1	REAL300013000395	1	58	0.0	-70.08	427.59	8.70	-61.38
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CC(C)[N@@H+](CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)CC1=CC=CO1	REAL300013000396	1	58	0.0	-77.39	434.43	11.92	-65.47
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CCOCC1)CC1=CC=CO1	REAL300013000397	0	52	0.0	-73.72	380.94	5.50	-68.22
CC(C)[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCOCC1)CC1=CC=CO1	REAL300013000397	1	52	0.0	-73.59	379.67	5.67	-67.92
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CC(C)[N@H+](CCNC(=O)NC(CF)C(=O)[O-])CC1=CC=CO1	REAL300013000399	0	44	0.0	-60.55	338.11	4.52	-56.03
CC(C)[N@@H+](CCNC(=O)NC(CF)C(=O)[O-])CC1=CC=CO1	REAL300013000399	1	44	0.0	-60.55	339.92	4.83	-55.72
CC(C)[N@H+](CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])CC1=CC=CO1	REAL300013000400	0	57	0.0	-44.76	421.97	11.41	-33.35
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CC(C)[N@H+](CCNC(=O)N(C)C(C)C(=O)[O-])CC1=CC=CO1	REAL300013000401	0	47	0.0	-67.81	345.96	6.55	-61.26
CC(C)[N@@H+](CCNC(=O)N(C)C(C)C(=O)[O-])CC1=CC=CO1	REAL300013000401	1	47	0.0	-68.23	348.22	6.90	-61.33
CCC(CC)(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000402	0	53	0.0	-71.52	376.53	6.81	-64.71
CCC(CC)(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000402	1	53	0.0	-71.70	378.65	7.10	-64.60
COC1=CC=C(C(NC(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])C=C1	REAL300013000403	0	55	0.0	-71.32	421.02	6.93	-64.39
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CCC(C)N(CC(=O)[O-])C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C	REAL300013000404	0	53	0.0	-54.04	384.66	8.69	-45.35
CCC(C)N(CC(=O)[O-])C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C	REAL300013000404	1	53	0.0	-54.42	386.77	8.98	-45.44
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CCC(COC)(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000405	1	54	0.0	-76.50	396.95	6.41	-70.09
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C	REAL300013000406	0	57	0.0	-69.92	419.27	7.70	-62.22
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C	REAL300013000406	1	57	0.0	-70.34	421.40	7.99	-62.35
CC(C)[N@H+](CCNC(=O)NC(CC1CC1)C(=O)[O-])CC1=CC=CO1	REAL300013000407	0	51	0.0	-70.82	391.61	7.34	-63.48
CC(C)[N@@H+](CCNC(=O)NC(CC1CC1)C(=O)[O-])CC1=CC=CO1	REAL300013000407	1	51	0.0	-70.76	390.61	7.43	-63.33
COCCC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000408	0	51	0.0	-71.23	389.44	4.67	-66.56
COCCC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000408	1	51	0.0	-71.59	391.56	4.96	-66.63
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C	REAL300013000409	0	56	0.0	-69.54	406.68	9.08	-60.46
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C	REAL300013000409	1	56	0.0	-69.85	408.46	9.31	-60.54
CC(C)[N@H+](CCNC(=O)NC(CC(F)F)C(=O)[O-])CC1=CC=CO1	REAL300013000410	0	47	0.0	-66.02	366.38	6.13	-59.89
CC(C)[N@@H+](CCNC(=O)NC(CC(F)F)C(=O)[O-])CC1=CC=CO1	REAL300013000410	1	47	0.0	-67.03	368.75	6.37	-60.66
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C	REAL300013000411	0	57	0.0	-77.65	407.20	9.61	-68.04
CCCC1(C(=O)[O-])CCCN1C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C	REAL300013000411	1	57	0.0	-79.10	409.53	10.13	-68.97
CCCN(C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(C)C(=O)[O-]	REAL300013000412	0	53	0.0	-74.17	387.74	8.91	-65.26
CCCN(C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(C)C(=O)[O-]	REAL300013000412	1	53	0.0	-45.57	389.48	9.28	-36.29
CC(C)[N@H+](CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])CC1=CC=CO1	REAL300013000413	0	57	0.0	-47.47	424.30	11.48	-35.99
CC(C)[N@@H+](CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])CC1=CC=CO1	REAL300013000413	1	57	0.0	-44.81	427.43	11.71	-33.10
CCC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300013000414	0	57	0.0	-73.18	416.94	9.30	-63.88
CCC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300013000414	1	57	0.0	-73.35	419.06	9.59	-63.76
COC1CCCC(C(NC(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])C1	REAL300013000415	0	61	0.0	-77.37	442.18	6.75	-70.62
COC1CCCC(C(NC(=O)NCC[N@@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])C1	REAL300013000415	1	61	0.0	-76.73	443.65	7.12	-69.61
CC(C)[N@H+](CCNC(=O)NC(CCF)C(=O)[O-])CC1=CC=CO1	REAL300013000416	0	47	0.0	-70.00	362.36	5.75	-64.25
CC(C)[N@@H+](CCNC(=O)NC(CCF)C(=O)[O-])CC1=CC=CO1	REAL300013000416	1	47	0.0	-70.87	364.72	5.99	-64.88
COC1(CC(NC(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])CCC1	REAL300013000417	0	58	0.0	-73.26	428.18	6.59	-66.67
COC1(CC(NC(=O)NCC[N@@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])CCC1	REAL300013000417	1	58	0.0	-73.36	429.26	7.20	-66.16
CC(C)[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCOCC1)CC1=CC=CO1	REAL300013000418	0	55	0.0	-54.52	398.71	7.26	-47.26
CC(C)[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CCOCC1)CC1=CC=CO1	REAL300013000418	1	55	0.0	-54.81	400.83	7.55	-47.26
CC(C)[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCCCC1)CC1=CC=CO1	REAL300013000419	0	57	0.0	-54.37	411.68	9.88	-44.49
CC(C)[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CCCCC1)CC1=CC=CO1	REAL300013000419	1	57	0.0	-54.51	410.42	10.03	-44.48
CC(C)[N@H+](CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)CC1=CC=CO1	REAL300013000420	0	57	0.0	-74.38	403.20	8.38	-66.00
CC(C)[N@@H+](CCNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)CC1=CC=CO1	REAL300013000420	1	57	0.0	-74.55	402.38	8.48	-66.07
COC1=CC=CC(C(NC(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])=C1	REAL300013000421	0	55	0.0	-74.28	421.45	6.99	-67.29
COC1=CC=CC(C(NC(=O)NCC[N@@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])=C1	REAL300013000421	1	55	0.0	-74.66	423.57	7.28	-67.38
CC(C)[N@H+](CCNC(=O)NC(C)(CCF)C(=O)[O-])CC1=CC=CO1	REAL300013000422	0	50	0.0	-67.73	366.74	6.06	-61.67
CC(C)[N@@H+](CCNC(=O)NC(C)(CCF)C(=O)[O-])CC1=CC=CO1	REAL300013000422	1	50	0.0	-67.91	368.86	6.36	-61.55
CC(C)[N@H+](CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])CC1=CC=CO1	REAL300013000423	0	52	0.0	-60.75	390.33	8.29	-52.46
CC(C)[N@@H+](CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])CC1=CC=CO1	REAL300013000423	1	52	0.0	-60.17	391.13	8.39	-51.78
CC(C)[N@H+](CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000424	0	48	0.0	-71.57	368.61	7.31	-64.26
CC(C)[N@@H+](CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000424	1	48	0.0	-72.86	371.24	7.48	-65.38
COC1=CC=CC([C@H](NC(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])=C1	REAL300013000425	0	55	0.0	-73.76	421.04	6.93	-66.83
COC1=CC=CC([C@H](NC(=O)NCC[N@@H+](CC2=CC=CO2)C(C)C)C(=O)[O-])=C1	REAL300013000425	1	55	0.0	-74.40	424.35	7.30	-67.10
CC(C)[N@H+](CCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1=CC=CO1	REAL300013000426	0	47	0.0	-67.39	350.53	6.75	-60.64
CC(C)[N@@H+](CCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1=CC=CO1	REAL300013000426	1	47	0.0	-67.51	349.76	7.01	-60.50
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C1	REAL300013000427	0	57	0.0	-79.55	420.96	9.38	-70.17
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC[N@@H+](CC2=CC=CO2)C(C)C)C1	REAL300013000427	1	57	0.0	-79.63	423.58	9.69	-69.94
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)CC1=CC=CO1	REAL300013000428	0	60	0.0	-75.69	414.00	8.59	-67.10
CC(C)[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)CC1=CC=CO1	REAL300013000428	1	60	0.0	-75.99	416.07	8.96	-67.03
CC(C)[N@H+](CCNC(=O)N1CC2CC1(C(=O)[O-])C2)CC1=CC=CO1	REAL300013000429	0	49	0.0	-82.56	363.00	8.18	-74.38
CC(C)[N@@H+](CCNC(=O)N1CC2CC1(C(=O)[O-])C2)CC1=CC=CO1	REAL300013000429	1	49	0.0	-82.34	365.84	8.46	-73.88
COC1CN(C(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C(C)(C(=O)[O-])C1	REAL300013000430	0	55	0.0	-77.14	409.16	7.23	-69.91
COC1CN(C(=O)NCC[N@@H+](CC2=CC=CO2)C(C)C)C(C)(C(=O)[O-])C1	REAL300013000430	1	55	0.0	-77.33	407.88	7.38	-69.95
CC(C)[N@H+](CCNC(=O)NC(CC1CCCOC1)C(=O)[O-])CC1=CC=CO1	REAL300013000431	0	58	0.0	-70.79	431.39	6.61	-64.18
CC(C)[N@@H+](CCNC(=O)NC(CC1CCCOC1)C(=O)[O-])CC1=CC=CO1	REAL300013000431	1	58	0.0	-71.04	430.13	6.77	-64.27
CC(C)[N@H+](CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1=CC=CO1	REAL300013000432	0	53	0.0	-70.49	385.18	6.67	-63.82
CC(C)[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1=CC=CO1	REAL300013000432	1	53	0.0	-72.17	389.51	7.05	-65.12
C=C(Cl)CC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000433	0	48	0.0	-67.17	384.47	6.66	-60.51
C=C(Cl)CC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000433	1	48	0.0	-66.84	386.36	7.02	-59.82
C=C(C)CC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000434	0	51	0.0	-71.52	388.91	6.92	-64.60
C=C(C)CC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000434	1	51	0.0	-71.79	388.63	7.38	-64.41
CC(C)[N@H+](CCNC(=O)N1C2CCC1(C(=O)[O-])CC2)CC1=CC=CO1	REAL300013000435	0	52	0.0	-85.06	376.95	8.89	-76.17
CC(C)[N@@H+](CCNC(=O)N1C2CCC1(C(=O)[O-])CC2)CC1=CC=CO1	REAL300013000435	1	52	0.0	-85.66	380.07	9.25	-76.41
CC(C)[N@H+](CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000436	0	48	0.0	-71.45	372.42	7.56	-63.89
CC(C)[N@@H+](CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000436	1	48	0.0	-71.01	370.44	8.03	-62.98
CC(C)[N@H+](CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000437	0	48	0.0	-74.94	365.29	7.73	-67.21
CC(C)[N@@H+](CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000437	1	48	0.0	-75.33	363.37	7.51	-67.82
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C1	REAL300013000438	0	49	0.0	-77.11	372.81	7.81	-69.30
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+](CC2=CC=CO2)C(C)C)C1	REAL300013000438	1	49	0.0	-76.98	371.10	7.80	-69.18
CC(C)[N@H+](CCNC(=O)NC(CC1CCOCC1)C(=O)[O-])CC1=CC=CO1	REAL300013000439	0	58	0.0	-71.87	426.63	6.37	-65.50
CC(C)[N@@H+](CCNC(=O)NC(CC1CCOCC1)C(=O)[O-])CC1=CC=CO1	REAL300013000439	1	58	0.0	-72.92	429.59	6.66	-66.26
CC(C)C[C@H](NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000440	0	53	0.0	-70.78	394.71	6.98	-63.80
CC(C)C[C@H](NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000440	1	53	0.0	-70.84	397.19	7.30	-63.54
CC(C)[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)CC1=CC=CO1	REAL300013000441	0	55	0.0	-73.85	404.51	5.64	-68.21
CC(C)[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)CC1=CC=CO1	REAL300013000441	1	55	0.0	-74.73	403.80	5.72	-69.01
CC(C)[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CO1	REAL300013000442	0	51	0.0	-71.30	391.54	7.65	-63.65
CC(C)[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CO1	REAL300013000442	1	51	0.0	-72.20	394.26	7.91	-64.29
CC(C)[N@H+](CCNC(=O)NC(CC1CC1)C(=O)[O-])CC1=CC=CO1	REAL300013000443	0	51	0.0	-70.82	391.61	7.34	-63.48
CC(C)[N@@H+](CCNC(=O)NC(CC1CC1)C(=O)[O-])CC1=CC=CO1	REAL300013000443	1	51	0.0	-70.76	390.61	7.43	-63.33
CC(C)[N@H+](CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-])CC1=CC=CO1	REAL300013000444	0	50	0.0	-69.51	400.96	5.73	-63.78
CC(C)[N@@H+](CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-])CC1=CC=CO1	REAL300013000444	1	50	0.0	-68.92	402.22	6.03	-62.89
CC(C)CCCC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000445	0	59	0.0	-70.75	437.83	8.45	-62.30
CC(C)CCCC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000445	1	59	0.0	-71.62	440.19	8.68	-62.94
CC(C)[N@H+](CCNC(=O)NC(CC1CCCO1)C(=O)[O-])CC1=CC=CO1	REAL300013000446	0	55	0.0	-74.74	415.94	6.24	-68.50
CC(C)[N@@H+](CCNC(=O)NC(CC1CCCO1)C(=O)[O-])CC1=CC=CO1	REAL300013000446	1	55	0.0	-75.82	414.36	6.22	-69.60
CSCC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000447	0	48	0.0	-68.65	379.71	5.89	-62.76
CSCC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000447	1	48	0.0	-68.43	381.59	6.26	-62.17
COC[C@H](NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000448	0	48	0.0	-72.28	367.86	3.78	-68.50
COC[C@H](NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000448	1	48	0.0	-72.36	370.59	4.18	-68.18
CC[C@H](NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000449	0	47	0.0	-70.99	356.00	5.54	-65.45
CC[C@H](NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000449	1	47	0.0	-71.22	358.13	5.85	-65.37
CC(C)[N@H+](CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000450	0	54	0.0	-71.08	420.84	8.63	-62.45
CC(C)[N@@H+](CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000450	1	54	0.0	-70.88	422.72	8.98	-61.90
CCC(C)CC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000451	0	56	0.0	-71.46	412.36	7.56	-63.90
CCC(C)CC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000451	1	56	0.0	-71.82	414.34	7.87	-63.95
C=CCCCC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000452	0	54	0.0	-71.38	411.82	7.65	-63.73
C=CCCCC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000452	1	54	0.0	-71.15	413.70	8.01	-63.14
CC(C)[N@H+](CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000453	0	54	0.0	-69.89	419.95	8.64	-61.25
CC(C)[N@@H+](CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000453	1	54	0.0	-70.11	422.07	8.93	-61.18
CC(C)[N@H+](CCNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=CO1	REAL300013000454	0	49	0.0	-79.50	369.31	8.84	-70.66
CC(C)[N@@H+](CCNC(=O)N1CCSCC1C(=O)[O-])CC1=CC=CO1	REAL300013000454	1	49	0.0	-77.84	377.43	9.04	-68.80
CC(C)[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CO1	REAL300013000455	0	54	0.0	-71.72	400.62	8.36	-63.36
CC(C)[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CO1	REAL300013000455	1	54	0.0	-71.71	402.88	8.63	-63.08
CC(C)[N@H+](CCNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000456	0	48	0.0	-77.53	355.51	7.15	-70.38
CC(C)[N@@H+](CCNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000456	1	48	0.0	-77.79	357.70	7.45	-70.34
CCCC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000457	0	50	0.0	-71.28	377.51	6.31	-64.97
CCCC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000457	1	50	0.0	-71.09	379.38	6.67	-64.42
CC(C)[C@@H](NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000458	0	50	0.0	-70.37	371.12	6.15	-64.22
CC(C)[C@@H](NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000458	1	50	0.0	-71.68	370.83	6.26	-65.42
CC(C)[N@H+](CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])CC1=CC=CO1	REAL300013000459	0	52	0.0	-83.42	376.57	9.06	-74.36
CC(C)[N@@H+](CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])CC1=CC=CO1	REAL300013000459	1	52	0.0	-82.81	379.85	9.39	-73.42
CCN(C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(C)(C)C(=O)[O-]	REAL300013000460	0	53	0.0	-73.73	380.84	8.39	-65.34
CCN(C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(C)(C)C(=O)[O-]	REAL300013000460	1	53	0.0	-73.95	383.13	8.65	-65.30
CCCN(C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(C)C(=O)[O-]	REAL300013000461	0	53	0.0	-74.17	387.74	8.91	-65.26
CCCN(C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(C)C(=O)[O-]	REAL300013000461	1	53	0.0	-45.57	389.48	9.28	-36.29
CC(C)[N@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1=CC=CO1	REAL300013000462	0	47	0.0	-66.75	368.55	7.87	-58.88
CC(C)[N@@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1=CC=CO1	REAL300013000462	1	47	0.0	-67.07	370.68	8.16	-58.91
CC(C)[N@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1=CC=CO1	REAL300013000463	0	47	0.0	-66.75	368.55	7.87	-58.88
CC(C)[N@@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)CC1=CC=CO1	REAL300013000463	1	47	0.0	-67.07	370.68	8.16	-58.91
CC(C)[N@H+](CCNC(=O)N(C)C(C)(C)C(=O)[O-])CC1=CC=CO1	REAL300013000464	0	50	0.0	-73.78	361.19	7.42	-66.36
CC(C)[N@@H+](CCNC(=O)N(C)C(C)(C)C(=O)[O-])CC1=CC=CO1	REAL300013000464	1	50	0.0	-74.15	363.27	7.75	-66.40
CC(C)[N@H+](CCNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000465	0	48	0.0	-76.83	356.28	7.63	-69.20
CC(C)[N@@H+](CCNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000465	1	48	0.0	-76.74	356.11	7.73	-69.01
CC(C)[N@H+](CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-])CC1=CC=CO1	REAL300013000466	0	60	0.0	-55.98	446.28	6.08	-49.90
CC(C)[N@@H+](CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-])CC1=CC=CO1	REAL300013000466	1	60	0.0	-56.13	444.40	6.14	-49.99
CC(C)[N@H+](CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000467	0	49	0.0	-79.85	366.77	3.77	-76.08
CC(C)[N@@H+](CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000467	1	49	0.0	-80.08	368.89	4.06	-76.02
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C	REAL300013000468	0	55	0.0	-49.76	410.08	10.53	-39.23
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C	REAL300013000468	1	55	0.0	-49.26	412.89	10.84	-38.42
CC(C)[N@H+](CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000469	0	58	0.0	-58.90	419.07	10.69	-48.21
CC(C)[N@@H+](CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000469	1	58	0.0	-61.02	422.30	10.97	-50.05
CCC[C@@H](NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000470	0	50	0.0	-70.73	377.26	6.37	-64.36
CCC[C@@H](NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000470	1	50	0.0	-71.27	380.23	6.71	-64.56
CC(C)[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CO1	REAL300013000471	0	51	0.0	-72.11	396.17	7.85	-64.26
CC(C)[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CO1	REAL300013000471	1	51	0.0	-72.66	394.30	7.91	-64.75
CC(C)[N@H+](CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000472	0	56	0.0	-73.67	432.29	7.56	-66.11
CC(C)[N@@H+](CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000472	1	56	0.0	-73.52	434.17	7.92	-65.60
C=CCCC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000473	0	51	0.0	-71.11	390.32	6.87	-64.24
C=CCCC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000473	1	51	0.0	-71.50	392.44	7.16	-64.34
CC(C)[N@H+](CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-])CC1=CC=CO1	REAL300013000474	0	50	0.0	-73.86	404.67	5.86	-68.00
CC(C)[N@@H+](CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-])CC1=CC=CO1	REAL300013000474	1	50	0.0	-74.50	403.68	5.96	-68.54
CC(C)[N@H+](CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])CC1=CC=CO1	REAL300013000475	0	51	0.0	-88.29	385.42	5.04	-83.25
CC(C)[N@@H+](CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])CC1=CC=CO1	REAL300013000475	1	51	0.0	-88.08	388.74	5.36	-82.72
CC(C)[N@H+](CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])CC1=CC=CO1	REAL300013000476	0	52	0.0	-72.11	386.65	6.93	-65.18
CC(C)[N@@H+](CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])CC1=CC=CO1	REAL300013000476	1	52	0.0	-71.04	384.74	6.92	-64.12
CC(C)[N@H+](CCNC(=O)N1CCC[C@]1(C)C(=O)[O-])CC1=CC=CO1	REAL300013000477	0	51	0.0	-76.77	374.81	8.24	-68.53
CC(C)[N@@H+](CCNC(=O)N1CCC[C@]1(C)C(=O)[O-])CC1=CC=CO1	REAL300013000477	1	51	0.0	-76.85	374.55	8.41	-68.44
CC(C)[C@H](NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000478	0	50	0.0	-71.37	372.69	6.12	-65.25
CC(C)[C@H](NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000478	1	50	0.0	-71.44	370.82	6.16	-65.28
CC(C)[N@H+](CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CO1	REAL300013000479	0	51	0.0	-72.15	392.13	7.61	-64.54
CC(C)[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)CC1=CC=CO1	REAL300013000479	1	51	0.0	-72.09	394.87	8.02	-64.07
CC(C)[N@H+](CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])CC1=CC=CO1	REAL300013000480	0	54	0.0	-70.21	408.76	7.28	-62.93
CC(C)[N@@H+](CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])CC1=CC=CO1	REAL300013000480	1	54	0.0	-73.91	404.35	7.35	-66.56
CC(C)[N@H+](CCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1=CC=CO1	REAL300013000481	0	47	0.0	-67.39	350.53	6.75	-60.64
CC(C)[N@@H+](CCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1=CC=CO1	REAL300013000481	1	47	0.0	-67.51	349.76	7.01	-60.50
CCC[C@H](NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000482	0	50	0.0	-70.91	377.50	6.31	-64.60
CCC[C@H](NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000482	1	50	0.0	-71.16	379.63	6.61	-64.55
CCN(C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(C)C(=O)[O-]	REAL300013000483	0	50	0.0	-68.13	363.71	7.39	-60.74
CCN(C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(C)C(=O)[O-]	REAL300013000483	1	50	0.0	-72.29	369.37	8.40	-63.89
CC(C)[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CO1	REAL300013000484	0	54	0.0	-54.09	394.28	9.17	-44.92
CC(C)[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CO1	REAL300013000484	1	54	0.0	-54.15	392.99	9.32	-44.83
CC(C)[N@H+](CCNC(=O)N(C)CC(C)C(=O)[O-])CC1=CC=CO1	REAL300013000485	0	50	0.0	-73.69	366.36	7.02	-66.67
CC(C)[N@@H+](CCNC(=O)N(C)CC(C)C(=O)[O-])CC1=CC=CO1	REAL300013000485	1	50	0.0	-77.81	370.41	7.60	-70.21
CC[C@H](C)[C@H](NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000486	0	53	0.0	-71.82	387.24	6.51	-65.31
CC[C@H](C)[C@H](NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000486	1	53	0.0	-70.59	387.71	6.78	-63.81
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C	REAL300013000487	0	50	0.0	-68.87	366.42	7.53	-61.34
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C	REAL300013000487	1	50	0.0	-69.24	368.55	7.83	-61.41
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(CO)C1)CC1=CC=CO1	REAL300013000488	0	52	0.0	-75.17	393.39	3.78	-71.39
CC(C)[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(CO)C1)CC1=CC=CO1	REAL300013000488	1	52	0.0	-75.52	391.52	3.84	-71.68
CC(C)[N@H+](CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1=CC=CO1	REAL300013000489	0	60	0.0	-70.53	435.00	6.68	-63.85
CC(C)[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)CC1=CC=CO1	REAL300013000489	1	60	0.0	-71.64	439.17	7.01	-64.63
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC(C)C1)CC1=CC=CO1	REAL300013000490	0	54	0.0	-74.37	396.06	7.53	-66.84
CC(C)[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC(C)C1)CC1=CC=CO1	REAL300013000490	1	54	0.0	-74.75	394.20	7.58	-67.17
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C)CC1=CC=CO1	REAL300013000491	0	57	0.0	-74.31	405.52	8.25	-66.06
CC(C)[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C)CC1=CC=CO1	REAL300013000491	1	57	0.0	-74.16	404.26	8.41	-65.75
COCCC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000492	0	51	0.0	-71.23	389.44	4.67	-66.56
COCCC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000492	1	51	0.0	-71.59	391.56	4.96	-66.63
CC(C)[N@H+](CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000493	0	57	0.0	-71.12	423.51	10.59	-60.53
CC(C)[N@@H+](CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000493	1	57	0.0	-71.34	425.13	10.77	-60.57
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CC(C)[N@@H+](CCNC(=O)N1C2C=CC(C2)C1C(=O)[O-])CC1=CC=CO1	REAL300013000546	1	50	0.0	-49.17	373.92	8.61	-40.56
CC(C)[N@H+](CCNC(=O)N1CCC(C)(C)C1C(=O)[O-])CC1=CC=CO1	REAL300013000547	0	54	0.0	-77.46	387.09	8.41	-69.05
CC(C)[N@@H+](CCNC(=O)N1CCC(C)(C)C1C(=O)[O-])CC1=CC=CO1	REAL300013000547	1	54	0.0	-77.53	389.21	8.70	-68.83
CC(C)[N@H+](CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])CC1=CC=CO1	REAL300013000548	0	58	0.0	-80.39	415.50	10.64	-69.75
CC(C)[N@@H+](CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])CC1=CC=CO1	REAL300013000548	1	58	0.0	-79.65	423.24	10.87	-68.78
CC(C)[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)CC1=CC=CO1	REAL300013000549	0	58	0.0	-71.60	432.60	9.51	-62.09
CC(C)[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)CC1=CC=CO1	REAL300013000549	1	58	0.0	-71.52	435.32	9.91	-61.61
CC(C)CCC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000550	0	56	0.0	-70.87	416.33	7.67	-63.20
CC(C)CCC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000550	1	56	0.0	-71.75	418.69	7.90	-63.85
CC(C)[N@H+](CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-])CC1=CC=CO1	REAL300013000551	0	55	0.0	-49.38	406.47	9.14	-40.24
CC(C)[N@@H+](CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-])CC1=CC=CO1	REAL300013000551	1	55	0.0	-49.48	404.69	9.19	-40.29
CC(C)[N@H+](CCNC(=O)NC(CC1CCOC1)C(=O)[O-])CC1=CC=CO1	REAL300013000552	0	55	0.0	-70.53	411.01	5.51	-65.02
CC(C)[N@@H+](CCNC(=O)NC(CC1CCOC1)C(=O)[O-])CC1=CC=CO1	REAL300013000552	1	55	0.0	-73.57	412.29	6.03	-67.54
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C1	REAL300013000553	0	52	0.0	-75.32	397.90	8.63	-66.69
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+](CC2=CC=CO2)C(C)C)C1	REAL300013000553	1	52	0.0	-75.11	399.40	8.92	-66.19
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCC2CC21)CC1=CC=CO1	REAL300013000554	0	55	0.0	-75.98	391.36	8.40	-67.58
CC(C)[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCC2CC21)CC1=CC=CO1	REAL300013000554	1	55	0.0	-73.83	396.80	8.53	-65.30
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC2CC21)CC1=CC=CO1	REAL300013000555	0	52	0.0	-75.91	382.50	7.74	-68.17
CC(C)[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC2CC21)CC1=CC=CO1	REAL300013000555	1	52	0.0	-75.83	380.62	7.78	-68.05
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)CC1=CC=CO1	REAL300013000556	0	55	0.0	-74.06	399.75	7.88	-66.18
CC(C)[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)CC1=CC=CO1	REAL300013000556	1	55	0.0	-73.91	402.46	8.27	-65.64
CC(C)[N@H+](CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000557	0	57	0.0	-71.06	423.00	10.48	-60.58
CC(C)[N@@H+](CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000557	1	57	0.0	-71.34	425.64	10.88	-60.46
CC(C)[N@H+](CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)CC1=CC=CO1	REAL300013000558	0	61	0.0	-49.30	430.70	9.92	-39.38
CC(C)[N@@H+](CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)CC1=CC=CO1	REAL300013000558	1	61	0.0	-49.85	432.82	10.22	-39.63
CC(C)[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCC1)CC1=CC=CO1	REAL300013000559	0	54	0.0	-72.56	392.21	7.07	-65.49
CC(C)[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCC1)CC1=CC=CO1	REAL300013000559	1	54	0.0	-71.69	395.22	7.51	-64.18
CO[C@H](C)[C@H](NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000560	0	51	0.0	-72.07	390.01	5.03	-67.04
CO[C@H](C)[C@H](NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000560	1	51	0.0	-71.27	388.23	5.18	-66.09
CC(C)[N@H+](CCNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)CC1=CC=CO1	REAL300013000561	0	51	0.0	-77.28	379.18	7.29	-69.99
CC(C)[N@@H+](CCNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)CC1=CC=CO1	REAL300013000561	1	51	0.0	-77.48	381.16	7.55	-69.93
CC(C)[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)CC1=CC=CO1	REAL300013000562	0	54	0.0	-54.72	412.93	10.36	-44.36
CC(C)[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)CC1=CC=CO1	REAL300013000562	1	54	0.0	-54.92	415.66	10.75	-44.17
CC(C)[N@H+](CCNC(=O)N1CC(C)(C)CC1C(=O)[O-])CC1=CC=CO1	REAL300013000563	0	54	0.0	-49.60	394.59	8.25	-41.35
CC(C)[N@@H+](CCNC(=O)N1CC(C)(C)CC1C(=O)[O-])CC1=CC=CO1	REAL300013000563	1	54	0.0	-49.77	397.35	8.64	-41.13
CC(C)[N@H+](CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-])CC1=CC=CO1	REAL300013000564	0	51	0.0	-79.70	381.18	9.01	-70.69
CC(C)[N@@H+](CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-])CC1=CC=CO1	REAL300013000564	1	51	0.0	-77.43	380.32	9.07	-68.36
CC(C)[N@H+](CCNC(=O)N1CCC(F)(F)C1C(=O)[O-])CC1=CC=CO1	REAL300013000565	0	48	0.0	-81.02	370.43	7.83	-73.19
CC(C)[N@@H+](CCNC(=O)N1CCC(F)(F)C1C(=O)[O-])CC1=CC=CO1	REAL300013000565	1	48	0.0	-80.89	369.16	7.98	-72.91
CC(C)[N@H+](CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000566	0	54	0.0	-74.37	420.60	8.69	-65.68
CC(C)[N@@H+](CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000566	1	54	0.0	-74.83	423.57	9.02	-65.81
CC(C)[N@H+](CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000567	0	51	0.0	-71.67	409.23	7.72	-63.95
CC(C)[N@@H+](CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000567	1	51	0.0	-71.42	408.06	7.88	-63.54
CC(C)[N@H+](CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])CC1=CC=CO1	REAL300013000568	0	51	0.0	-70.28	383.95	8.13	-62.15
CC(C)[N@@H+](CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])CC1=CC=CO1	REAL300013000568	1	51	0.0	-70.30	386.68	8.53	-61.77
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)CC1=CC=CO1	REAL300013000569	0	55	0.0	-75.26	423.18	8.54	-66.72
CC(C)[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)CC1=CC=CO1	REAL300013000569	1	55	0.0	-75.62	421.17	8.53	-67.09
CC(C)[N@H+](CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000570	0	51	0.0	-71.67	409.23	7.72	-63.95
CC(C)[N@@H+](CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])CC1=CC=CO1	REAL300013000570	1	51	0.0	-71.42	408.06	7.88	-63.54
CC(C)[N@H+](CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000571	0	55	0.0	-79.87	393.29	8.83	-71.04
CC(C)[N@@H+](CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000571	1	55	0.0	-80.15	395.41	9.11	-71.04
COCCCC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000572	0	54	0.0	-70.06	410.94	5.44	-64.62
COCCCC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000572	1	54	0.0	-70.41	413.06	5.74	-64.67
CCCC(C(=O)[O-])N(C)C(=O)NCC[N@H+](CC1=CC=CO1)C(C)C	REAL300013000573	0	53	0.0	-68.26	388.47	8.35	-59.91
CCCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C	REAL300013000573	1	53	0.0	-68.68	391.11	8.75	-59.93
CCOCC(NC(=O)NCC[N@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000574	0	51	0.0	-72.56	389.58	4.81	-67.75
CCOCC(NC(=O)NCC[N@@H+](CC1=CC=CO1)C(C)C)C(=O)[O-]	REAL300013000574	1	51	0.0	-73.32	391.84	5.05	-68.27
CC(C)[N@H+](CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1=CC=CO1	REAL300013000575	0	56	0.0	-70.78	405.85	7.99	-62.79
CC(C)[N@@H+](CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])CC1=CC=CO1	REAL300013000575	1	56	0.0	-70.89	408.07	8.27	-62.62
CC(C)[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCO1)CC1=CC=CO1	REAL300013000576	0	55	0.0	-74.50	406.49	5.69	-68.81
CC(C)[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCO1)CC1=CC=CO1	REAL300013000576	1	55	0.0	-74.45	409.22	6.07	-68.38
CC(C)[N@H+](CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)CC1=CC=CO1	REAL300013000577	0	55	0.0	-72.88	414.11	9.05	-63.83
CC(C)[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)CC1=CC=CO1	REAL300013000577	1	55	0.0	-72.99	412.85	9.20	-63.79
CC(C)[N@H+](CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000578	0	52	0.0	-79.09	379.64	7.18	-71.91
CC(C)[N@@H+](CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])CC1=CC=CO1	REAL300013000578	1	52	0.0	-78.43	383.27	7.41	-71.02
CC(C)[N@H+](CCNC(=O)NC(CCC#N)C(=O)[O-])CC1=CC=CO1	REAL300013000579	0	48	0.0	-72.90	376.62	6.11	-66.79
CC(C)[N@@H+](CCNC(=O)NC(CCC#N)C(=O)[O-])CC1=CC=CO1	REAL300013000579	1	48	0.0	-73.40	378.75	6.40	-67.00
CC(C)[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1)CC1=CC=CO1	REAL300013000580	0	51	0.0	-55.79	394.59	8.50	-47.29
CC(C)[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1)CC1=CC=CO1	REAL300013000580	1	51	0.0	-56.08	396.77	8.79	-47.29
CC(C)[N@H+](CCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1=CC=CO1	REAL300013000581	0	47	0.0	-67.95	349.95	6.79	-61.16
CC(C)[N@@H+](CCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1=CC=CO1	REAL300013000581	1	47	0.0	-68.36	348.68	6.94	-61.42
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@H+](CC2=CC=CO2)C(C)C)C1	REAL300013000582	0	55	0.0	-77.54	414.59	7.37	-70.17
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC[N@@H+](CC2=CC=CO2)C(C)C)C1	REAL300013000582	1	55	0.0	-73.85	411.19	7.80	-66.05
CCC1=CNN=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013000689	0	53	0.0	-64.36	413.23	5.18	-59.18
CCN1C=NC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013000895	0	53	0.0	-67.39	411.77	7.63	-59.76
CC(C)C1=CNN=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013001122	0	56	0.0	-64.67	432.06	5.71	-58.96
C[C@@H](CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])CC(F)(F)F	REAL300013002038	0	52	0.0	-62.94	406.02	6.93	-56.01
CC1CCCC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300013002769	0	62	0.0	-62.37	445.41	8.92	-53.45
COC1CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1(C)C	REAL300013003033	0	60	0.0	-62.78	447.93	6.57	-56.21
CC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CO1	REAL300013003238	0	50	0.0	-63.70	393.83	6.19	-57.51
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC(C)(C)CC2)CC1	REAL300013003479	0	65	0.0	-62.42	454.23	9.09	-53.33
COC1=CC=C(F)C=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013004057	0	54	0.0	-65.63	426.02	6.83	-58.80
CC1CCC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300013004311	0	62	0.0	-62.07	447.26	8.74	-53.33
CCCCC(C)NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013005361	0	55	0.0	-58.23	410.31	7.51	-50.72
CC(C)C[C@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005423	0	57	0.0	-68.47	408.79	8.92	-59.55
CC(C)C[C@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005423	1	57	0.0	-73.07	416.51	8.94	-64.13
C=CCOCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005424	0	56	0.0	-73.48	424.41	7.42	-66.06
C=CCOCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005424	1	56	0.0	-74.40	424.43	7.41	-66.99
C=CC(C)C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005425	0	55	0.0	-68.87	402.45	8.76	-60.11
C=CC(C)C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005425	1	55	0.0	-70.55	406.63	8.72	-61.83
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCOCC1	REAL300013005426	0	59	0.0	-71.35	424.88	7.63	-63.72
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCOCC1	REAL300013005426	1	59	0.0	-74.75	421.71	7.50	-67.25
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=C(F)C(F)=C1	REAL300013005427	0	55	0.0	-64.25	419.17	9.83	-54.42
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=C(F)C(F)=C1	REAL300013005427	1	55	0.0	-67.33	426.45	9.90	-57.43
COC1CCN(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(C(=O)[O-])C1	REAL300013005428	0	59	0.0	-81.54	419.82	9.54	-72.00
COC1CCN(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(C(=O)[O-])C1	REAL300013005428	1	59	0.0	-77.97	413.61	9.74	-68.23
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCCOC1	REAL300013005429	0	59	0.0	-67.25	415.37	7.49	-59.76
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCCOC1	REAL300013005429	1	59	0.0	-67.62	418.91	7.71	-59.91
CC1CCN(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(C(=O)[O-])C1	REAL300013005430	0	58	0.0	-82.33	408.72	11.40	-70.93
CC1CCN(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(C(=O)[O-])C1	REAL300013005430	1	58	0.0	-76.36	401.42	11.17	-65.19
CC1=CC(C(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])=CC=C1F	REAL300013005431	0	58	0.0	-67.31	433.54	10.46	-56.85
CC1=CC(C(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])=CC=C1F	REAL300013005431	1	58	0.0	-66.82	433.55	10.46	-56.36
CC1=CC(C(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])=CC(C)=C1	REAL300013005432	0	61	0.0	-74.92	456.79	11.04	-63.88
CC1=CC(C(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])=CC(C)=C1	REAL300013005432	1	61	0.0	-74.47	456.15	11.05	-63.42
CC1=CC=C(C(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])C=C1C	REAL300013005433	0	61	0.0	-71.38	445.26	10.97	-60.41
CC1=CC=C(C(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])C=C1C	REAL300013005433	1	61	0.0	-71.25	445.49	10.87	-60.38
CC1=CC=CC(C(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])=C1C	REAL300013005434	0	61	0.0	-71.32	439.84	10.80	-60.52
CC1=CC=CC(C(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])=C1C	REAL300013005434	1	61	0.0	-70.68	439.86	10.80	-59.88
CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005435	0	54	0.0	-57.90	390.34	10.17	-47.73
CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005435	1	54	0.0	-58.70	392.02	9.97	-48.73
CC(C(=O)[O-])N(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCC1	REAL300013005436	0	58	0.0	-52.17	403.30	11.44	-40.73
CC(C(=O)[O-])N(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCC1	REAL300013005436	1	58	0.0	-60.30	410.26	10.58	-49.72
CCCN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(COC)C(=O)[O-]	REAL300013005437	0	61	0.0	-71.76	435.82	9.85	-61.91
CCCN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(COC)C(=O)[O-]	REAL300013005437	1	61	0.0	-75.37	439.51	11.15	-64.22
CCCN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(CC)C(=O)[O-]	REAL300013005438	0	60	0.0	-67.56	417.12	11.14	-56.42
CCCN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(CC)C(=O)[O-]	REAL300013005438	1	60	0.0	-74.65	425.93	11.80	-62.85
CC(C)C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005439	0	54	0.0	-72.02	392.91	8.24	-63.78
CC(C)C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005439	1	54	0.0	-71.30	392.93	8.24	-63.06
O=C([O-])C1CCCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005440	0	55	0.0	-82.18	387.88	10.81	-71.37
O=C([O-])C1CCCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005440	1	55	0.0	-77.50	381.09	10.81	-66.69
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=C(Cl)C=C1	REAL300013005441	0	55	0.0	-69.43	430.07	10.26	-59.17
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=C(Cl)C=C1	REAL300013005441	1	55	0.0	-69.94	430.71	10.22	-59.72
O=C([O-])C1CSCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005442	0	53	0.0	-74.91	380.88	10.65	-64.26
O=C([O-])C1CSCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005442	1	53	0.0	-75.45	381.38	10.78	-64.67
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCCCC1	REAL300013005443	0	58	0.0	-76.34	407.32	9.85	-66.49
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCCCC1	REAL300013005443	1	58	0.0	-71.52	400.43	9.82	-61.70
O=C([O-])C1CCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005444	0	52	0.0	-74.04	369.70	9.52	-64.52
O=C([O-])C1CCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005444	1	52	0.0	-74.94	369.66	9.51	-65.43
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCCC1	REAL300013005445	0	55	0.0	-72.45	385.93	8.72	-63.73
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCCC1	REAL300013005445	1	55	0.0	-72.91	385.34	8.68	-64.23
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCCCCC1	REAL300013005446	0	61	0.0	-73.16	406.12	10.51	-62.65
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCCCCC1	REAL300013005446	1	61	0.0	-72.05	406.12	10.49	-61.56
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005447	0	58	0.0	-74.49	436.22	10.65	-63.84
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005447	1	58	0.0	-73.83	435.33	10.65	-63.18
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005448	0	58	0.0	-59.25	434.72	12.45	-46.80
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005448	1	58	0.0	-59.23	434.68	12.44	-46.79
O=C([O-])[C@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300013005449	0	55	0.0	-74.22	413.98	9.71	-64.51
O=C([O-])[C@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300013005449	1	55	0.0	-73.67	413.98	9.70	-63.97
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300013005450	0	55	0.0	-69.74	406.45	9.70	-60.04
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300013005450	1	55	0.0	-73.18	413.74	9.78	-63.40
CCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005451	0	51	0.0	-72.01	377.79	7.63	-64.38
CCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005451	1	51	0.0	-71.57	377.56	7.69	-63.88
CC(C)C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005452	0	54	0.0	-72.02	392.91	8.24	-63.78
CC(C)C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005452	1	54	0.0	-71.30	392.93	8.24	-63.06
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005453	0	58	0.0	-74.49	436.22	10.65	-63.84
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005453	1	58	0.0	-73.83	435.33	10.65	-63.18
CCC(C)C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005454	0	57	0.0	-69.40	404.03	8.84	-60.56
CCC(C)C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005454	1	57	0.0	-73.76	412.78	8.84	-64.92
O=C([O-])C1CCCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005455	0	55	0.0	-82.18	387.88	10.81	-71.37
O=C([O-])C1CCCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005455	1	55	0.0	-77.50	381.09	10.81	-66.69
CCCC(C)(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005456	0	57	0.0	-67.81	396.55	8.74	-59.07
CCCC(C)(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005456	1	57	0.0	-71.69	403.43	8.76	-62.93
CC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005457	0	54	0.0	-58.71	378.97	9.69	-49.02
CC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005457	1	54	0.0	-71.59	385.42	9.69	-61.90
O=C([O-])CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CC1	REAL300013005458	0	52	0.0	-73.04	380.66	9.83	-63.21
O=C([O-])CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CC1	REAL300013005458	1	52	0.0	-59.49	372.11	9.94	-49.55
C=CCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005459	0	52	0.0	-57.68	381.66	9.98	-47.70
C=CCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005459	1	52	0.0	-59.74	383.58	9.77	-49.97
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005460	0	57	0.0	-57.32	404.76	10.48	-46.84
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005460	1	57	0.0	-60.46	411.89	10.71	-49.75
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005461	0	59	0.0	-81.86	425.60	12.71	-69.15
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005461	1	59	0.0	-78.06	419.50	12.97	-65.09
CC(C)(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005462	0	51	0.0	-61.90	368.54	7.02	-54.88
CC(C)(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005462	1	51	0.0	-61.89	368.54	7.01	-54.88
CC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)(C(=O)[O-])C1CC1	REAL300013005463	0	55	0.0	-70.19	384.57	8.74	-61.45
CC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)(C(=O)[O-])C1CC1	REAL300013005463	1	55	0.0	-68.70	384.50	8.74	-59.96
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=CS1	REAL300013005464	0	52	0.0	-72.37	405.57	8.80	-63.57
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=CS1	REAL300013005464	1	52	0.0	-71.80	404.98	8.81	-62.99
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCCCC1	REAL300013005465	0	58	0.0	-76.34	407.32	9.85	-66.49
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCCCC1	REAL300013005465	1	58	0.0	-71.52	400.43	9.82	-61.70
CC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005466	0	54	0.0	-58.71	378.97	9.69	-49.02
CC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005466	1	54	0.0	-71.59	385.42	9.69	-61.90
CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005467	0	54	0.0	-57.90	390.34	10.17	-47.73
CCCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005467	1	54	0.0	-58.70	392.02	9.97	-48.73
CCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005468	0	51	0.0	-69.20	368.85	9.41	-59.79
CCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005468	1	51	0.0	-71.61	375.73	9.43	-62.18
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005469	0	57	0.0	-73.03	409.04	8.60	-64.43
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005469	1	57	0.0	-73.65	409.05	8.59	-65.06
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCCC1	REAL300013005470	0	55	0.0	-72.45	385.93	8.72	-63.73
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCCC1	REAL300013005470	1	55	0.0	-72.91	385.34	8.68	-64.23
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005471	0	58	0.0	-56.94	441.13	12.52	-44.42
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005471	1	58	0.0	-56.99	441.14	12.50	-44.49
CCC(C)(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005472	0	54	0.0	-67.61	375.05	7.98	-59.63
CCC(C)(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005472	1	54	0.0	-71.56	381.94	8.01	-63.55
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC2=CC=CC=C2C1	REAL300013005473	0	59	0.0	-76.34	433.30	11.04	-65.30
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC2=CC=CC=C2C1	REAL300013005473	1	59	0.0	-71.62	426.55	10.93	-60.69
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC(F)=CC=C1F	REAL300013005474	0	55	0.0	-69.84	417.68	9.91	-59.93
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1=CC(F)=CC=C1F	REAL300013005474	1	55	0.0	-73.50	424.01	9.85	-63.65
CC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013005475	0	58	0.0	-70.78	414.88	10.45	-60.33
CC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013005475	1	58	0.0	-73.76	421.76	10.48	-63.28
CCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005476	0	51	0.0	-69.20	368.85	9.41	-59.79
CCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005476	1	51	0.0	-71.61	375.73	9.43	-62.18
CCCCCCC(C)(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005477	0	66	0.0	-68.00	461.05	11.07	-56.93
CCCCCCC(C)(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005477	1	66	0.0	-71.93	467.93	11.10	-60.83
CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013005478	0	61	0.0	-72.43	446.73	12.70	-59.73
CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013005478	1	61	0.0	-72.32	446.77	12.76	-59.56
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC1	REAL300013005479	0	49	0.0	-73.69	355.25	7.82	-65.87
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC1	REAL300013005479	1	49	0.0	-73.07	355.25	7.81	-65.26
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=C(Cl)C=C1	REAL300013005480	0	55	0.0	-69.43	430.07	10.26	-59.17
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=C(Cl)C=C1	REAL300013005480	1	55	0.0	-69.94	430.71	10.22	-59.72
O=C([O-])C1COCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005481	0	53	0.0	-78.60	379.06	8.14	-70.46
O=C([O-])C1COCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005481	1	53	0.0	-73.71	371.82	8.08	-65.63
CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1(C(=O)[O-])CCCCC1	REAL300013005482	0	61	0.0	-74.48	409.69	11.14	-63.34
CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1(C(=O)[O-])CCCCC1	REAL300013005482	1	61	0.0	-74.52	409.69	11.13	-63.39
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CC1	REAL300013005483	0	52	0.0	-71.27	384.71	8.14	-63.13
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CC1	REAL300013005483	1	52	0.0	-73.26	387.54	8.17	-65.09
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005484	0	61	0.0	-58.90	450.25	13.20	-45.70
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005484	1	61	0.0	-61.49	457.13	13.21	-48.28
CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013005485	0	58	0.0	-74.46	423.71	11.96	-62.50
CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013005485	1	58	0.0	-77.61	422.54	11.67	-65.94
COCCN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005486	0	55	0.0	-58.86	400.22	8.60	-50.26
COCCN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005486	1	55	0.0	-61.12	407.11	8.61	-52.51
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCC2=CC=CC=C21	REAL300013005487	0	59	0.0	-78.01	428.79	10.78	-67.23
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCC2=CC=CC=C21	REAL300013005487	1	59	0.0	-78.05	428.66	10.81	-67.24
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005488	0	52	0.0	-79.37	378.64	9.22	-70.15
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005488	1	52	0.0	-78.61	378.73	9.23	-69.38
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005489	0	55	0.0	-81.27	387.60	10.57	-70.70
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005489	1	55	0.0	-81.59	387.63	10.72	-70.87
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005490	0	51	0.0	-66.01	361.94	8.67	-57.34
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005490	1	51	0.0	-68.48	367.76	8.62	-59.86
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005491	0	52	0.0	-78.07	377.87	9.54	-68.53
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005491	1	52	0.0	-78.68	376.57	9.54	-69.14
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCC1	REAL300013005492	0	52	0.0	-73.18	372.06	8.32	-64.86
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCC1	REAL300013005492	1	52	0.0	-72.40	372.05	8.32	-64.08
C=CCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005493	0	52	0.0	-71.61	391.11	8.08	-63.53
C=CCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005493	1	52	0.0	-71.25	390.83	8.15	-63.10
CC1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005494	0	55	0.0	-78.57	393.61	10.10	-68.47
CC1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005494	1	55	0.0	-78.58	393.72	10.09	-68.49
O=C([O-])C1CCCCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005495	0	58	0.0	-79.79	400.64	11.08	-68.71
O=C([O-])C1CCCCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005495	1	58	0.0	-73.23	395.57	11.38	-61.85
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CC1	REAL300013005496	0	52	0.0	-71.27	384.71	8.14	-63.13
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CC1	REAL300013005496	1	52	0.0	-73.26	387.54	8.17	-65.09
CC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005497	0	51	0.0	-68.48	368.32	8.59	-59.89
CC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005497	1	51	0.0	-68.77	367.78	8.53	-60.24
CCCCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005498	0	57	0.0	-71.91	420.79	9.18	-62.73
CCCCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005498	1	57	0.0	-72.63	420.81	9.16	-63.47
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005499	0	61	0.0	-58.90	450.25	13.20	-45.70
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005499	1	61	0.0	-61.49	457.13	13.21	-48.28
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005500	0	55	0.0	-77.79	393.67	10.09	-67.70
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005500	1	55	0.0	-74.86	386.72	10.06	-64.80
O=C([O-])CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCCC1	REAL300013005501	0	58	0.0	-58.12	413.44	11.01	-47.11
O=C([O-])CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCCC1	REAL300013005501	1	58	0.0	-57.74	405.20	10.99	-46.75
COCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005502	0	52	0.0	-73.04	389.17	5.86	-67.18
COCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005502	1	52	0.0	-73.56	389.67	5.86	-67.70
CCCCCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005503	0	60	0.0	-71.94	442.29	9.96	-61.98
CCCCCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005503	1	60	0.0	-72.16	442.06	10.02	-62.14
CCC1CCC(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)(C(=O)[O-])CC1	REAL300013005504	0	64	0.0	-72.38	440.05	10.38	-62.00
CCC1CCC(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)(C(=O)[O-])CC1	REAL300013005504	1	64	0.0	-71.32	439.51	11.07	-60.25
O=C([O-])CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCOCC1	REAL300013005505	0	59	0.0	-57.38	413.67	9.32	-48.06
O=C([O-])CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCOCC1	REAL300013005505	1	59	0.0	-60.08	420.56	9.33	-50.75
CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1(C(=O)[O-])CCCC1	REAL300013005506	0	58	0.0	-74.11	396.52	10.46	-63.65
CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1(C(=O)[O-])CCCC1	REAL300013005506	1	58	0.0	-75.28	396.53	10.45	-64.83
CC(C(=O)[O-])N(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CC1	REAL300013005507	0	55	0.0	-60.85	394.21	10.11	-50.74
CC(C(=O)[O-])N(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CC1	REAL300013005507	1	55	0.0	-61.21	387.23	9.98	-51.23
CCC(C(=O)[O-])N(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CC1	REAL300013005508	0	58	0.0	-61.78	414.75	11.22	-50.56
CCC(C(=O)[O-])N(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CC1	REAL300013005508	1	58	0.0	-61.70	409.04	11.07	-50.63
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC=C1Cl	REAL300013005509	0	55	0.0	-71.82	418.98	10.10	-61.72
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=CC=C1Cl	REAL300013005509	1	55	0.0	-75.35	424.72	10.16	-65.19
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC=C1F	REAL300013005510	0	55	0.0	-75.73	411.50	9.77	-65.96
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=CC=C1F	REAL300013005510	1	55	0.0	-79.17	418.14	9.86	-69.31
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005511	0	59	0.0	-62.64	422.42	12.01	-50.63
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005511	1	59	0.0	-62.14	422.41	12.00	-50.14
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005512	0	64	0.0	-70.29	451.30	10.82	-59.47
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005512	1	64	0.0	-72.21	457.89	10.90	-61.31
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005513	0	61	0.0	-60.08	442.86	13.10	-46.98
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005513	1	61	0.0	-60.08	442.78	13.08	-47.00
CC1=CC=C(C(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])C=C1	REAL300013005514	0	58	0.0	-73.90	435.14	10.47	-63.43
CC1=CC=C(C(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])C=C1	REAL300013005514	1	58	0.0	-73.90	435.11	10.46	-63.44
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005515	0	51	0.0	-67.13	393.72	8.33	-58.80
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005515	1	51	0.0	-66.64	393.73	8.32	-58.32
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCSCC1	REAL300013005516	0	56	0.0	-72.41	405.00	9.51	-62.90
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCSCC1	REAL300013005516	1	56	0.0	-67.86	398.12	9.51	-58.35
COCC(C)(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005517	0	55	0.0	-75.86	400.18	7.28	-68.58
COCC(C)(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005517	1	55	0.0	-75.82	400.18	7.29	-68.53
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005518	0	58	0.0	-69.70	420.44	9.11	-60.59
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005518	1	58	0.0	-69.65	420.30	9.05	-60.60
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005519	0	57	0.0	-57.32	404.76	10.48	-46.84
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005519	1	57	0.0	-60.46	411.89	10.71	-49.75
O=C([O-])CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CC1	REAL300013005520	0	52	0.0	-73.04	380.66	9.83	-63.21
O=C([O-])CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CC1	REAL300013005520	1	52	0.0	-59.49	372.11	9.94	-49.55
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005521	0	54	0.0	-57.63	408.48	10.55	-47.08
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005521	1	54	0.0	-55.13	410.15	10.35	-44.78
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCOC1	REAL300013005522	0	53	0.0	-68.31	376.58	6.11	-62.20
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCOC1	REAL300013005522	1	53	0.0	-68.45	376.64	6.12	-62.33
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCCCC1	REAL300013005523	0	61	0.0	-71.72	424.65	9.81	-61.91
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCCCC1	REAL300013005523	1	61	0.0	-72.41	433.60	10.04	-62.37
CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(COC1CCC1)C(=O)[O-]	REAL300013005524	0	62	0.0	-70.79	447.95	10.43	-60.36
CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(COC1CCC1)C(=O)[O-]	REAL300013005524	1	62	0.0	-71.05	447.34	10.32	-60.73
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005525	0	62	0.0	-76.50	445.02	13.79	-62.71
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005525	1	62	0.0	-81.28	453.07	13.63	-67.65
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCOCC1	REAL300013005526	0	56	0.0	-71.88	391.86	7.34	-64.54
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCOCC1	REAL300013005526	1	56	0.0	-71.93	391.85	7.33	-64.60
C=CCCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005527	0	55	0.0	-70.94	411.27	8.97	-61.97
C=CCCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005527	1	55	0.0	-71.74	412.11	8.95	-62.79
O=C([O-])C(CF)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005528	0	48	0.0	-60.79	359.42	6.65	-54.14
O=C([O-])C(CF)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005528	1	48	0.0	-61.37	359.90	6.61	-54.76
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005529	0	61	0.0	-55.25	445.96	13.34	-41.91
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005529	1	61	0.0	-51.25	434.70	13.36	-37.89
CC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005530	0	51	0.0	-68.48	368.32	8.59	-59.89
CC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005530	1	51	0.0	-68.77	367.78	8.53	-60.24
CCC(CC)(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005531	0	57	0.0	-68.65	391.73	8.87	-59.78
CCC(CC)(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005531	1	57	0.0	-73.55	398.62	8.90	-64.65
COC1=CC=C(C(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])C=C1	REAL300013005532	0	59	0.0	-72.75	442.83	9.04	-63.71
COC1=CC=C(C(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])C=C1	REAL300013005532	1	59	0.0	-72.98	443.23	9.07	-63.91
CCC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005533	0	57	0.0	-58.55	408.99	10.90	-47.65
CCC(C)N(CC(=O)[O-])C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005533	1	57	0.0	-57.87	399.57	10.75	-47.12
CCC(COC)(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005534	0	58	0.0	-73.20	409.97	8.17	-65.03
CCC(COC)(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005534	1	58	0.0	-77.21	416.63	8.20	-69.01
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005535	0	61	0.0	-69.71	440.71	9.87	-59.84
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005535	1	61	0.0	-70.37	440.23	9.76	-60.61
O=C([O-])C(CC1CC1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005536	0	55	0.0	-69.17	402.81	9.11	-60.06
O=C([O-])C(CC1CC1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005536	1	55	0.0	-69.46	402.53	9.16	-60.30
COCCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005537	0	55	0.0	-72.08	411.47	6.69	-65.39
COCCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005537	1	55	0.0	-71.69	411.23	6.76	-64.93
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005538	0	60	0.0	-69.07	426.62	11.01	-58.06
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005538	1	60	0.0	-70.05	426.09	10.96	-59.09
O=C([O-])C(CC(F)F)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005539	0	51	0.0	-71.34	390.14	7.92	-63.42
O=C([O-])C(CC(F)F)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005539	1	51	0.0	-70.99	389.91	7.98	-63.01
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005540	0	61	0.0	-80.72	431.20	12.22	-68.50
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005540	1	61	0.0	-75.77	422.00	11.72	-64.05
CCCN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(C)C(=O)[O-]	REAL300013005541	0	57	0.0	-74.47	410.64	10.89	-63.58
CCCN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(C)C(=O)[O-]	REAL300013005541	1	57	0.0	-65.97	400.58	10.24	-55.73
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005542	0	61	0.0	-54.72	443.22	13.20	-41.52
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005542	1	61	0.0	-53.35	442.82	13.39	-39.96
CCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013005543	0	61	0.0	-71.48	431.85	11.36	-60.12
CCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013005543	1	61	0.0	-74.62	438.74	11.37	-63.25
COC1CCCC(C(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])C1	REAL300013005544	0	65	0.0	-76.00	466.84	9.24	-66.76
COC1CCCC(C(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])C1	REAL300013005544	1	65	0.0	-73.80	464.93	9.26	-64.54
O=C([O-])C(CCF)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005545	0	51	0.0	-70.67	384.38	7.77	-62.90
O=C([O-])C(CCF)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005545	1	51	0.0	-70.21	384.15	7.83	-62.38
COC1(CC(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])CCC1	REAL300013005546	0	62	0.0	-73.85	449.31	8.76	-65.09
COC1(CC(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])CCC1	REAL300013005546	1	62	0.0	-73.12	447.19	9.10	-64.02
O=C([O-])CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCOCC1	REAL300013005547	0	59	0.0	-57.38	413.67	9.32	-48.06
O=C([O-])CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCOCC1	REAL300013005547	1	59	0.0	-60.08	420.56	9.33	-50.75
O=C([O-])CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCCCC1	REAL300013005548	0	61	0.0	-58.49	430.82	11.72	-46.77
O=C([O-])CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCCCC1	REAL300013005548	1	61	0.0	-58.14	422.59	11.69	-46.45
C[C@H]1CC[C@@](NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)(C(=O)[O-])CC1	REAL300013005549	0	61	0.0	-72.79	414.21	10.20	-62.59
C[C@H]1CC[C@@](NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)(C(=O)[O-])CC1	REAL300013005549	1	61	0.0	-76.51	421.14	10.22	-66.29
COC1=CC=CC(C(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])=C1	REAL300013005550	0	59	0.0	-72.76	436.37	9.06	-63.70
COC1=CC=CC(C(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])=C1	REAL300013005550	1	59	0.0	-73.12	436.55	8.96	-64.16
CC(CCF)(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005551	0	54	0.0	-69.31	388.53	8.15	-61.16
CC(CCF)(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005551	1	54	0.0	-68.56	388.53	8.15	-60.41
O=C([O-])C1C2=C(CCN1C(=O)NCC1CCC[N@@H+](C3CCCC3)C1)OC=C2	REAL300013005552	0	56	0.0	-62.53	403.85	10.16	-52.37
O=C([O-])C1C2=C(CCN1C(=O)NCC1CCC[N@H+](C3CCCC3)C1)OC=C2	REAL300013005552	1	56	0.0	-63.14	403.84	10.14	-53.00
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005553	0	52	0.0	-69.04	383.41	9.36	-59.68
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005553	1	52	0.0	-69.12	384.77	9.26	-59.86
COC1=CC=CC([C@H](NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])=C1	REAL300013005554	0	59	0.0	-71.92	435.96	9.00	-62.92
COC1=CC=CC([C@H](NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])=C1	REAL300013005554	1	59	0.0	-72.48	435.95	8.99	-63.49
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005555	0	51	0.0	-65.87	360.87	8.61	-57.26
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005555	1	51	0.0	-68.50	368.81	8.68	-59.82
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1	REAL300013005556	0	61	0.0	-74.50	436.77	10.49	-64.01
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1	REAL300013005556	1	61	0.0	-74.60	436.88	10.54	-64.06
CC1(C)CCCC(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)(C(=O)[O-])C1	REAL300013005557	0	64	0.0	-72.35	428.37	10.71	-61.64
CC1(C)CCCC(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)(C(=O)[O-])C1	REAL300013005557	1	64	0.0	-73.72	428.35	10.69	-63.03
O=C([O-])C12CC(C1)CN2C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005558	0	53	0.0	-79.95	378.01	10.11	-69.84
O=C([O-])C12CC(C1)CN2C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005558	1	53	0.0	-79.20	376.93	10.16	-69.04
COC1CN(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(C)(C(=O)[O-])C1	REAL300013005559	0	59	0.0	-78.17	425.47	9.15	-69.02
COC1CN(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(C)(C(=O)[O-])C1	REAL300013005559	1	59	0.0	-73.84	421.43	9.03	-64.81
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005560	0	62	0.0	-72.20	448.95	8.54	-63.66
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005560	1	62	0.0	-71.49	448.95	8.53	-62.96
CC(C)(C)[C@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005561	0	57	0.0	-68.46	400.10	8.73	-59.73
CC(C)(C)[C@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005561	1	57	0.0	-69.45	400.10	8.73	-60.72
C=C(Cl)CC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005562	0	52	0.0	-71.93	406.23	8.71	-63.22
C=C(Cl)CC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005562	1	52	0.0	-67.91	406.02	8.82	-59.09
C=C(C)CC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005563	0	55	0.0	-72.16	411.65	8.82	-63.34
C=C(C)CC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005563	1	55	0.0	-72.11	410.70	9.00	-63.11
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005564	0	56	0.0	-78.88	389.51	10.97	-67.91
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005564	1	56	0.0	-85.83	398.51	11.00	-74.83
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005565	0	52	0.0	-68.30	383.44	9.36	-58.94
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005565	1	52	0.0	-72.09	389.55	9.69	-62.40
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005566	0	52	0.0	-75.46	383.08	9.64	-65.82
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005566	1	52	0.0	-73.24	376.88	9.30	-63.94
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1	REAL300013005567	0	53	0.0	-79.19	392.13	9.57	-69.62
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1	REAL300013005567	1	53	0.0	-75.16	383.93	9.58	-65.58
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005568	0	62	0.0	-72.84	448.41	8.46	-64.38
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005568	1	62	0.0	-72.23	445.01	9.09	-63.14
CC(C)C[C@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005569	0	57	0.0	-68.47	408.79	8.92	-59.55
CC(C)C[C@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005569	1	57	0.0	-73.07	416.51	8.94	-64.13
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCOCC1	REAL300013005570	0	59	0.0	-71.35	424.88	7.63	-63.72
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCOCC1	REAL300013005570	1	59	0.0	-74.75	421.71	7.50	-67.25
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300013005571	0	55	0.0	-69.74	406.45	9.70	-60.04
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300013005571	1	55	0.0	-73.18	413.74	9.78	-63.40
O=C([O-])C(CC1CC1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005572	0	55	0.0	-69.17	402.81	9.11	-60.06
O=C([O-])C(CC1CC1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005572	1	55	0.0	-69.46	402.53	9.16	-60.30
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005573	0	54	0.0	-66.85	415.07	7.80	-59.05
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005573	1	54	0.0	-72.74	422.97	7.77	-64.97
CC(C)CCCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005574	0	63	0.0	-71.94	459.86	10.47	-61.47
CC(C)CCCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005574	1	63	0.0	-71.51	459.62	10.53	-60.98
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005575	0	59	0.0	-69.23	425.16	8.50	-60.73
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005575	1	59	0.0	-72.63	426.88	8.06	-64.57
CSCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005576	0	52	0.0	-68.99	400.59	8.08	-60.91
CSCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005576	1	52	0.0	-69.84	401.51	7.96	-61.88
COC[C@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005577	0	52	0.0	-73.22	389.52	5.93	-67.29
COC[C@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005577	1	52	0.0	-74.23	389.67	5.87	-68.36
CC[C@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005578	0	51	0.0	-68.90	370.92	7.60	-61.30
CC[C@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005578	1	51	0.0	-72.07	376.98	7.63	-64.44
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005579	0	58	0.0	-68.87	435.76	10.69	-58.18
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005579	1	58	0.0	-67.71	435.52	10.75	-56.96
CCC(C)CC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005580	0	60	0.0	-71.62	433.89	9.60	-62.02
CCC(C)CC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005580	1	60	0.0	-72.74	434.87	9.58	-63.16
C=CCCCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005581	0	58	0.0	-70.88	432.77	9.75	-61.13
C=CCCCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005581	1	58	0.0	-72.16	433.62	9.73	-62.43
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005582	0	58	0.0	-71.57	442.58	10.73	-60.84
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005582	1	58	0.0	-68.72	437.05	10.69	-58.03
O=C([O-])C1CSCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005583	0	53	0.0	-74.91	380.88	10.65	-64.26
O=C([O-])C1CSCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005583	1	53	0.0	-75.45	381.38	10.78	-64.67
CC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013005584	0	58	0.0	-70.78	414.88	10.45	-60.33
CC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013005584	1	58	0.0	-73.76	421.76	10.48	-63.28
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005585	0	52	0.0	-79.37	378.64	9.22	-70.15
O=C([O-])[C@H]1CCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005585	1	52	0.0	-78.61	378.73	9.23	-69.38
CCCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005586	0	54	0.0	-71.26	398.46	8.41	-62.85
CCCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005586	1	54	0.0	-71.56	399.06	8.46	-63.10
CC(C)[C@@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005587	0	54	0.0	-69.97	383.03	7.93	-62.04
CC(C)[C@@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005587	1	54	0.0	-71.25	392.93	8.24	-63.01
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005588	0	56	0.0	-84.07	399.05	11.04	-73.03
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005588	1	56	0.0	-80.19	391.61	11.11	-69.08
CCN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300013005589	0	57	0.0	-71.83	395.60	10.35	-61.48
CCN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300013005589	1	57	0.0	-75.70	402.48	10.40	-65.30
CCCN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(C)C(=O)[O-]	REAL300013005590	0	57	0.0	-74.47	410.64	10.89	-63.58
CCCN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(C)C(=O)[O-]	REAL300013005590	1	57	0.0	-65.97	400.58	10.24	-55.73
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005591	0	51	0.0	-65.21	383.46	9.92	-55.29
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005591	1	51	0.0	-67.55	390.34	9.93	-57.62
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005592	0	51	0.0	-65.21	383.46	9.92	-55.29
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005592	1	51	0.0	-67.55	390.34	9.93	-57.62
CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300013005593	0	54	0.0	-75.73	383.03	9.51	-66.22
CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(C)(C)C(=O)[O-]	REAL300013005593	1	54	0.0	-75.66	382.99	9.51	-66.15
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005594	0	52	0.0	-78.07	377.87	9.54	-68.53
O=C([O-])[C@@H]1CCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005594	1	52	0.0	-78.68	376.57	9.54	-69.14
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005595	0	64	0.0	-58.62	457.20	7.90	-50.72
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005595	1	64	0.0	-58.88	452.04	7.66	-51.22
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005596	0	53	0.0	-78.09	383.09	5.71	-72.38
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005596	1	53	0.0	-76.40	381.70	5.79	-70.61
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005597	0	59	0.0	-57.88	424.83	12.32	-45.56
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005597	1	59	0.0	-58.77	432.38	12.46	-46.31
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)[C@H]1C(=O)[O-]	REAL300013005598	0	62	0.0	-62.32	440.88	12.79	-49.53
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)[C@H]1C(=O)[O-]	REAL300013005598	1	62	0.0	-63.20	433.54	12.67	-50.53
CCC[C@@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005599	0	54	0.0	-72.75	399.30	8.41	-64.34
CCC[C@@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005599	1	54	0.0	-71.98	399.30	8.39	-63.59
O=C([O-])[C@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300013005600	0	55	0.0	-74.22	413.98	9.71	-64.51
O=C([O-])[C@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300013005600	1	55	0.0	-73.67	413.98	9.70	-63.97
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005601	0	60	0.0	-74.15	453.84	9.72	-64.43
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005601	1	60	0.0	-73.99	453.25	9.67	-64.32
C=CCCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005602	0	55	0.0	-70.94	411.27	8.97	-61.97
C=CCCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005602	1	55	0.0	-71.74	412.11	8.95	-62.79
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005603	0	54	0.0	-66.96	416.12	7.61	-59.35
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005603	1	54	0.0	-70.73	423.01	7.65	-63.08
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005604	0	55	0.0	-87.79	406.94	7.09	-80.70
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005604	1	55	0.0	-83.01	400.18	7.07	-75.94
CN1CC(C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC1=O	REAL300013005605	0	56	0.0	-73.26	404.62	8.78	-64.48
CN1CC(C(=O)[O-])N(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC1=O	REAL300013005605	1	56	0.0	-68.85	397.53	8.79	-60.06
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005606	0	55	0.0	-78.59	393.66	10.10	-68.49
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005606	1	55	0.0	-73.75	386.79	10.06	-63.69
CC(C)[C@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005607	0	54	0.0	-71.17	388.92	7.95	-63.22
CC(C)[C@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005607	1	54	0.0	-71.43	391.98	8.16	-63.27
O=C([O-])[C@@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300013005608	0	55	0.0	-73.24	413.71	9.79	-63.45
O=C([O-])[C@@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=CC=C1	REAL300013005608	1	55	0.0	-70.34	406.45	9.70	-60.64
CC(CN1C=CC=N1)(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005609	0	58	0.0	-71.74	416.46	9.02	-62.72
CC(CN1C=CC=N1)(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005609	1	58	0.0	-74.98	423.36	9.03	-65.95
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005610	0	51	0.0	-65.87	360.87	8.61	-57.26
C[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005610	1	51	0.0	-68.50	368.81	8.68	-59.82
CCC[C@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005611	0	54	0.0	-68.14	391.58	8.38	-59.76
CCC[C@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005611	1	54	0.0	-72.01	398.47	8.40	-63.61
CCN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(C)C(=O)[O-]	REAL300013005612	0	54	0.0	-66.59	378.62	9.45	-57.14
CCN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(C)C(=O)[O-]	REAL300013005612	1	54	0.0	-70.08	386.79	9.50	-60.58
O=C([O-])CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCCC1	REAL300013005613	0	58	0.0	-58.12	413.44	11.01	-47.11
O=C([O-])CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCCC1	REAL300013005613	1	58	0.0	-57.74	405.20	10.99	-46.75
CC(CN(C)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005614	0	54	0.0	-72.74	389.04	9.13	-63.61
CC(CN(C)C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005614	1	54	0.0	-76.10	389.28	9.35	-66.75
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005615	0	57	0.0	-73.03	409.04	8.60	-64.43
CC[C@H](C)[C@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005615	1	57	0.0	-73.65	409.05	8.59	-65.06
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005616	0	54	0.0	-66.26	381.30	9.75	-56.51
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005616	1	54	0.0	-66.97	381.30	9.75	-57.22
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC(CO)C1	REAL300013005617	0	56	0.0	-77.24	410.94	5.63	-71.61
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC(CO)C1	REAL300013005617	1	56	0.0	-77.04	402.31	5.50	-71.54
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005618	0	64	0.0	-73.70	460.49	8.97	-64.73
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005618	1	64	0.0	-73.90	458.25	8.81	-65.09
CC1CCC(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)(C(=O)[O-])C1	REAL300013005619	0	58	0.0	-71.56	407.12	9.27	-62.29
CC1CCC(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)(C(=O)[O-])C1	REAL300013005619	1	58	0.0	-71.88	407.16	9.33	-62.55
CC1(C)CCCC1(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005620	0	61	0.0	-71.65	416.54	10.08	-61.57
CC1(C)CCCC1(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005620	1	61	0.0	-72.79	416.50	10.05	-62.74
COCCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005621	0	55	0.0	-72.08	411.47	6.69	-65.39
COCCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005621	1	55	0.0	-71.69	411.23	6.76	-64.93
CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013005622	0	61	0.0	-72.43	446.73	12.70	-59.73
CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013005622	1	61	0.0	-72.32	446.77	12.76	-59.56
CC1(C)CC(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)(C(=O)[O-])C1	REAL300013005623	0	58	0.0	-77.82	415.02	10.05	-67.77
CC1(C)CC(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)(C(=O)[O-])C1	REAL300013005623	1	58	0.0	-72.89	408.49	10.02	-62.87
CC1(C(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])CC1	REAL300013005624	0	55	0.0	-69.50	396.22	8.69	-60.81
CC1(C(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])CC1	REAL300013005624	1	55	0.0	-69.68	399.72	8.77	-60.91
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005625	0	64	0.0	-75.06	462.14	8.87	-66.19
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005625	1	64	0.0	-74.34	462.15	8.86	-65.48
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005626	0	53	0.0	-85.08	387.26	6.03	-79.05
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005626	1	53	0.0	-80.08	380.38	5.99	-74.09
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCOC1	REAL300013005627	0	56	0.0	-71.33	406.11	6.65	-64.68
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCOC1	REAL300013005627	1	56	0.0	-67.29	405.77	6.80	-60.49
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005628	0	56	0.0	-82.12	398.50	10.64	-71.48
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005628	1	56	0.0	-82.71	398.49	10.63	-72.08
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1=CNC2=CC=CC=C12	REAL300013005629	0	59	0.0	-78.39	439.00	9.76	-68.63
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1=CNC2=CC=CC=C12	REAL300013005629	1	59	0.0	-76.95	438.76	9.82	-67.13
O=C([O-])C12COC(CN1C(=O)NCC1CCC[N@@H+](C3CCCC3)C1)C2	REAL300013005630	0	54	0.0	-79.37	390.54	8.44	-70.93
O=C([O-])C12COC(CN1C(=O)NCC1CCC[N@H+](C3CCCC3)C1)C2	REAL300013005630	1	54	0.0	-75.25	384.16	8.36	-66.89
CC1CCC(C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1	REAL300013005631	0	58	0.0	-76.44	396.65	11.37	-65.07
CC1CCC(C(=O)[O-])N(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1	REAL300013005631	1	58	0.0	-77.98	397.18	11.64	-66.34
CC(C1=CC=CC=C1)C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005632	0	61	0.0	-71.39	450.21	10.96	-60.43
CC(C1=CC=CC=C1)C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005632	1	61	0.0	-73.06	452.96	11.05	-62.01
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005633	0	62	0.0	-71.86	449.64	10.78	-61.08
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005633	1	62	0.0	-72.76	450.25	10.84	-61.92
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCC1	REAL300013005634	0	55	0.0	-69.99	390.65	8.56	-61.43
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCC1	REAL300013005634	1	55	0.0	-69.50	394.98	8.59	-60.91
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCCCC1	REAL300013005635	0	61	0.0	-71.72	424.65	9.81	-61.91
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCCCC1	REAL300013005635	1	61	0.0	-72.41	433.60	10.04	-62.37
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCC1	REAL300013005636	0	55	0.0	-69.99	390.65	8.56	-61.43
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCC1	REAL300013005636	1	55	0.0	-69.50	394.98	8.59	-60.91
CC1CCN(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1C(=O)[O-]	REAL300013005637	0	55	0.0	-79.62	391.94	9.91	-69.71
CC1CCN(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1C(=O)[O-]	REAL300013005637	1	55	0.0	-76.13	388.38	9.61	-66.52
C=CCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005638	0	52	0.0	-71.61	391.11	8.08	-63.53
C=CCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005638	1	52	0.0	-71.25	390.83	8.15	-63.10
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005639	0	62	0.0	-72.11	449.79	9.44	-62.67
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005639	1	62	0.0	-68.06	442.91	9.40	-58.66
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005640	0	62	0.0	-54.29	417.19	11.33	-42.96
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005640	1	62	0.0	-54.36	423.60	11.34	-43.02
CC1(C)CC(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)(C(=O)[O-])CCO1	REAL300013005641	0	62	0.0	-71.67	420.94	8.63	-63.04
CC1(C)CC(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)(C(=O)[O-])CCO1	REAL300013005641	1	62	0.0	-72.96	420.96	8.62	-64.34
CC1=CC=CC2=C1CCN(C(=O)NCC1CCC[N@@H+](C3CCCC3)C1)C2C(=O)[O-]	REAL300013005642	0	62	0.0	-82.67	435.56	13.18	-69.49
CC1=CC=CC2=C1CCN(C(=O)NCC1CCC[N@H+](C3CCCC3)C1)C2C(=O)[O-]	REAL300013005642	1	62	0.0	-63.07	438.52	12.63	-50.44
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005643	0	56	0.0	-56.41	392.61	10.54	-45.87
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005643	1	56	0.0	-55.48	392.46	10.54	-44.94
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005644	0	62	0.0	-71.86	449.64	10.78	-61.08
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005644	1	62	0.0	-72.76	450.25	10.84	-61.92
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005645	0	58	0.0	-70.24	442.34	10.78	-59.46
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005645	1	58	0.0	-70.16	442.55	10.70	-59.46
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CC(C)C(C)(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005655	1	57	0.0	-73.36	398.69	8.69	-64.67
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O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005661	1	61	0.0	-73.02	459.21	11.42	-61.60
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CC2CCC1C2	REAL300013005662	0	62	0.0	-71.92	433.48	10.37	-61.55
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CC2CCC1C2	REAL300013005662	1	62	0.0	-72.28	433.65	10.29	-61.99
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005663	0	64	0.0	-73.02	457.93	10.92	-62.10
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005663	1	64	0.0	-72.72	458.18	10.83	-61.89
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005664	0	64	0.0	-72.27	457.88	10.90	-61.37
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005664	1	64	0.0	-69.67	450.42	10.82	-58.85
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005665	0	62	0.0	-55.36	432.32	11.44	-43.92
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005665	1	62	0.0	-54.83	431.47	11.47	-43.36
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005666	0	62	0.0	-76.78	431.07	11.38	-65.40
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005666	1	62	0.0	-77.04	428.67	11.20	-65.84
C=CCSCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005667	0	56	0.0	-69.06	434.86	9.53	-59.53
C=CCSCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005667	1	56	0.0	-69.36	435.54	9.49	-59.87
N#CC1=CC=C(CC(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])C=C1	REAL300013005668	0	59	0.0	-69.90	450.17	11.02	-58.88
N#CC1=CC=C(CC(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])C=C1	REAL300013005668	1	59	0.0	-73.32	457.00	11.04	-62.28
CCC(C(=O)[O-])N(CC)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005669	0	57	0.0	-69.81	402.60	10.44	-59.37
CCC(C(=O)[O-])N(CC)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005669	1	57	0.0	-70.18	397.64	11.04	-59.14
COC1(C(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C(=O)[O-])CCC1	REAL300013005670	0	59	0.0	-69.36	424.29	7.31	-62.05
COC1(C(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C(=O)[O-])CCC1	REAL300013005670	1	59	0.0	-75.97	426.11	7.54	-68.43
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCC2=CC=CC=C2C1	REAL300013005671	0	62	0.0	-72.86	438.39	11.75	-61.11
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCC2=CC=CC=C2C1	REAL300013005671	1	62	0.0	-73.01	438.36	11.74	-61.27
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC(C(F)F)C1	REAL300013005672	0	55	0.0	-80.17	410.68	9.19	-70.98
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC(C(F)F)C1	REAL300013005672	1	55	0.0	-67.87	401.87	9.05	-58.82
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005674	0	52	0.0	-75.46	383.08	9.64	-65.82
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005674	1	52	0.0	-73.24	376.88	9.30	-63.94
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005675	0	54	0.0	-57.52	392.93	10.40	-47.12
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005675	1	54	0.0	-54.97	385.18	10.37	-44.60
CC1(C)CCN(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1C(=O)[O-]	REAL300013005676	0	58	0.0	-79.05	408.93	10.50	-68.55
CC1(C)CCN(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1C(=O)[O-]	REAL300013005676	1	58	0.0	-75.76	403.90	10.29	-65.47
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005677	0	62	0.0	-80.90	432.85	12.20	-68.70
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005677	1	62	0.0	-77.61	425.10	12.42	-65.19
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCC2=CC=CC=C21	REAL300013005678	0	62	0.0	-70.25	449.70	11.49	-58.76
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCC2=CC=CC=C21	REAL300013005678	1	62	0.0	-74.41	456.59	11.51	-62.90
CC(C)CCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005679	0	60	0.0	-71.38	437.53	9.71	-61.67
CC(C)CCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005679	1	60	0.0	-72.80	438.38	9.70	-63.10
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005680	0	59	0.0	-56.39	417.50	10.98	-45.41
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005680	1	59	0.0	-55.03	416.63	10.99	-44.04
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005681	0	59	0.0	-72.49	431.92	7.76	-64.73
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005681	1	59	0.0	-73.90	431.55	7.73	-66.17
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1	REAL300013005682	0	56	0.0	-76.23	419.64	10.71	-65.52
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1	REAL300013005682	1	56	0.0	-72.79	412.92	10.70	-62.09
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCCC2CC21	REAL300013005683	0	59	0.0	-72.19	408.93	10.19	-62.00
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCCC2CC21	REAL300013005683	1	59	0.0	-75.96	415.80	10.20	-65.76
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCC2CC21	REAL300013005684	0	56	0.0	-76.72	401.52	9.40	-67.32
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCC2CC21	REAL300013005684	1	56	0.0	-75.89	401.52	9.39	-66.50
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC2(CCC2)C1	REAL300013005685	0	59	0.0	-77.26	427.82	10.20	-67.06
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC2(CCC2)C1	REAL300013005685	1	59	0.0	-72.24	414.52	9.95	-62.29
CN(C(=O)NCC1CCC[N@@H+](C2CCCC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300013005686	0	61	0.0	-72.77	446.82	12.62	-60.15
CN(C(=O)NCC1CCC[N@H+](C2CCCC2)C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300013005686	1	61	0.0	-68.20	437.91	12.54	-55.66
O=C([O-])C1CC2(CN1C(=O)NCC1CCC[N@@H+](C3CCCC3)C1)CCCCC2	REAL300013005687	0	65	0.0	-56.52	453.41	11.94	-44.58
O=C([O-])C1CC2(CN1C(=O)NCC1CCC[N@H+](C3CCCC3)C1)CCCCC2	REAL300013005687	1	65	0.0	-54.91	445.69	11.96	-42.95
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCCC1	REAL300013005688	0	58	0.0	-70.89	407.13	9.13	-61.76
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCCC1	REAL300013005688	1	58	0.0	-72.55	417.10	9.27	-63.28
CO[C@H](C)[C@H](NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005689	0	55	0.0	-70.14	400.92	6.85	-63.29
CO[C@H](C)[C@H](NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005689	1	55	0.0	-73.49	407.32	6.86	-66.63
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005690	0	55	0.0	-70.88	385.07	8.86	-62.02
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005690	1	55	0.0	-78.42	400.85	9.36	-69.06
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005691	0	58	0.0	-59.25	434.72	12.45	-46.80
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005691	1	58	0.0	-59.23	434.68	12.44	-46.79
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1	REAL300013005692	0	58	0.0	-55.94	409.50	10.31	-45.63
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1	REAL300013005692	1	58	0.0	-55.13	409.49	10.31	-44.82
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005693	0	55	0.0	-78.54	398.74	10.65	-67.89
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005693	1	55	0.0	-75.07	392.55	10.85	-64.22
O=C([O-])C1N(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCC1(F)F	REAL300013005694	0	52	0.0	-81.16	388.24	9.67	-71.49
O=C([O-])C1N(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCC1(F)F	REAL300013005694	1	52	0.0	-78.19	381.34	9.64	-68.55
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005695	0	58	0.0	-70.24	442.34	10.78	-59.46
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005695	1	58	0.0	-70.16	442.55	10.70	-59.46
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005696	0	55	0.0	-72.25	427.06	9.58	-62.67
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005696	1	55	0.0	-71.77	426.89	9.64	-62.13
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005697	0	55	0.0	-71.64	405.70	10.22	-61.42
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005697	1	55	0.0	-70.96	405.70	10.21	-60.75
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC2(CC(F)(F)C2)C1	REAL300013005698	0	59	0.0	-72.71	434.10	10.36	-62.35
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC2(CC(F)(F)C2)C1	REAL300013005698	1	59	0.0	-76.27	440.73	10.39	-65.88
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005699	0	55	0.0	-72.25	427.06	9.58	-62.67
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005699	1	55	0.0	-71.77	426.89	9.64	-62.13
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005700	0	59	0.0	-77.63	407.77	10.68	-66.95
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005700	1	59	0.0	-80.89	415.07	10.90	-69.99
COCCCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005701	0	58	0.0	-70.81	432.13	7.48	-63.33
COCCCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005701	1	58	0.0	-71.64	432.74	7.53	-64.11
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005702	0	57	0.0	-68.53	410.26	10.44	-58.09
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005702	1	57	0.0	-70.03	409.73	10.38	-59.65
CCOCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005703	0	55	0.0	-73.86	411.51	6.84	-67.02
CCOCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005703	1	55	0.0	-73.86	411.52	6.82	-67.04
CC(C)(C)CC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005704	0	60	0.0	-73.37	428.64	10.03	-63.34
CC(C)(C)CC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005704	1	60	0.0	-73.38	428.52	10.03	-63.35
O=C([O-])C(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CCCCO1	REAL300013005705	0	59	0.0	-75.19	429.38	8.24	-66.95
O=C([O-])C(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CCCCO1	REAL300013005705	1	59	0.0	-75.72	429.04	8.18	-67.54
O=C([O-])C1(NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CC2=CC=CC=C2C1	REAL300013005706	0	59	0.0	-76.34	433.30	11.04	-65.30
O=C([O-])C1(NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CC2=CC=CC=C2C1	REAL300013005706	1	59	0.0	-71.62	426.55	10.93	-60.69
C[C@H]1OCCN(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)[C@@H]1C(=O)[O-]	REAL300013005707	0	56	0.0	-80.36	400.84	9.11	-71.25
C[C@H]1OCCN(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)[C@@H]1C(=O)[O-]	REAL300013005707	1	56	0.0	-74.13	391.70	8.84	-65.29
N#CCCC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005708	0	52	0.0	-72.41	397.82	8.15	-64.26
N#CCCC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013005708	1	52	0.0	-72.96	398.65	8.13	-64.83
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005709	0	55	0.0	-60.09	416.39	10.59	-49.50
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005709	1	55	0.0	-59.56	416.40	10.58	-48.98
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013005710	0	51	0.0	-66.01	361.94	8.67	-57.34
C[C@H](C(=O)[O-])N(C)C(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013005710	1	51	0.0	-68.48	367.76	8.62	-59.86
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1	REAL300013005711	0	59	0.0	-74.96	430.87	9.57	-65.39
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1	REAL300013005711	1	59	0.0	-75.71	425.54	9.16	-66.55
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CN=CN=C2)CC1	REAL300013005874	0	48	0.0	-59.26	375.60	5.19	-54.07
CC1=CC(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=N1	REAL300013006081	0	55	0.0	-63.02	425.35	7.11	-55.91
CNS(=O)(=O)NCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013007103	0	56	0.0	-66.50	441.89	-0.31	-66.81
C[C@@H]1CN(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C[C@H](C)O1	REAL300013008289	0	62	0.0	-62.90	462.00	4.36	-58.54
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCC2=CC=NC=C2)CC1	REAL300013008548	0	55	0.0	-60.92	423.84	6.96	-53.96
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCNS(=O)(=O)C2CC2)CC1	REAL300013008844	0	55	0.0	-62.79	435.51	2.07	-60.72
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(CC3CC3)C=C2)CC1	REAL300013009371	0	60	0.0	-62.76	465.68	10.42	-52.34
COC1=CC(F)=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013009664	0	54	0.0	-63.39	426.02	6.81	-56.58
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3(CC3(F)F)C2)CC1	REAL300013010165	0	57	0.0	-62.72	441.45	8.61	-54.11
CN(C)C(=O)NCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013010455	0	58	0.0	-64.52	440.11	4.18	-60.34
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC3=CC=CNC3=C2)CC1	REAL300013010742	0	53	0.0	-81.61	416.02	5.80	-75.81
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC(C2=CC=CC=C2)C(F)F)CC1	REAL300013011054	0	56	0.0	-59.39	431.96	8.67	-50.72
COC1(OC)CCC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300013011362	0	61	0.0	-63.11	454.91	6.01	-57.10
CC(C)C[C@H](NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011496	1	52	0.0	-64.66	401.75	7.74	-56.92
C=CCOCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011497	1	51	0.0	-67.77	411.33	6.22	-61.55
C=CC(C)C(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011498	1	50	0.0	-64.22	396.30	7.47	-56.75
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011499	1	54	0.0	-69.19	408.95	6.16	-63.03
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011500	1	50	0.0	-60.54	412.11	8.60	-51.94
COC1CCN(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C(C(=O)[O-])C1	REAL300013011501	1	54	0.0	-73.55	405.03	8.41	-65.14
CC(CNC(=O)NC(C(=O)[O-])C1CCCOC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011502	1	54	0.0	-64.46	407.97	6.18	-58.28
CC(CNC(=O)N1CCC(C)CC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011503	1	53	0.0	-72.53	387.17	9.61	-62.92
CC1=CC(C(NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=CC=C1F	REAL300013011504	1	53	0.0	-62.99	427.50	9.24	-53.75
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011505	1	55	0.0	-66.28	435.70	8.37	-57.91
CC1=CC(C(NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=CC(C)=C1	REAL300013011506	1	56	0.0	-66.96	443.62	9.86	-57.10
CC1=CC=C(C(NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1C	REAL300013011507	1	56	0.0	-67.49	439.31	9.61	-57.88
CC1=CC=CC(C(NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=C1C	REAL300013011508	1	56	0.0	-67.21	429.89	9.49	-57.72
CCCN(CC(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011509	1	49	0.0	-54.62	383.30	8.94	-45.68
CC(CNC(=O)N(C(C)C(=O)[O-])C1CCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011510	1	53	0.0	-51.32	390.37	9.92	-41.40
CCCN(C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(COC)C(=O)[O-]	REAL300013011511	1	56	0.0	-64.56	421.78	8.50	-56.06
CCCN(C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(CC)C(=O)[O-]	REAL300013011512	1	55	0.0	-62.78	410.55	9.81	-52.97
CC(C)C(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011513	1	49	0.0	-63.63	378.94	6.88	-56.75
CC(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011514	1	50	0.0	-73.65	373.97	9.55	-64.10
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011515	1	50	0.0	-62.35	417.02	8.95	-53.40
CC(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011516	1	48	0.0	-70.47	373.43	9.43	-61.04
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011517	1	53	0.0	-68.64	394.37	8.59	-60.05
CC(CNC(=O)N1CCCC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011518	1	47	0.0	-70.86	362.24	8.27	-62.59
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011519	1	50	0.0	-68.95	378.15	7.47	-61.48
CC(CNC(=O)NC1(C(=O)[O-])CCCCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011520	1	56	0.0	-68.58	399.05	9.26	-59.32
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011521	1	53	0.0	-66.56	423.04	9.46	-57.10
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011522	1	53	0.0	-54.89	421.78	11.20	-43.69
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011523	1	50	0.0	-66.66	399.81	8.53	-58.13
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011524	1	50	0.0	-65.94	400.29	8.43	-57.51
CCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011525	1	46	0.0	-65.42	364.76	6.34	-59.08
CC(C)C(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011526	1	49	0.0	-63.63	378.94	6.88	-56.75
CC(CNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011527	1	53	0.0	-66.56	423.04	9.46	-57.10
CCC(C)C(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011528	1	52	0.0	-66.56	399.74	7.55	-59.01
CC(CNC(=O)N1CCCCC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011529	1	50	0.0	-73.65	373.97	9.55	-64.10
CCCC(C)(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011530	1	52	0.0	-65.05	390.49	7.51	-57.54
CC(C)N(CC(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011531	1	49	0.0	-55.29	372.90	8.47	-46.82
CC(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011532	1	47	0.0	-56.12	365.06	8.71	-47.41
C=CCN(CC(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011533	1	47	0.0	-54.33	375.50	8.71	-45.62
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011534	1	52	0.0	-54.60	398.84	9.42	-45.18
CC(CNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011535	1	54	0.0	-73.70	411.61	11.52	-62.18
CC(CNC(=O)NC(C)(C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011536	1	46	0.0	-55.93	354.62	5.75	-50.18
CC(CNC(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011537	1	50	0.0	-66.45	377.36	7.52	-58.93
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CS1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011538	1	47	0.0	-64.18	392.01	7.57	-56.61
CC(CNC(=O)NC1(C(=O)[O-])CCCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011539	1	53	0.0	-68.64	394.37	8.59	-60.05
CC(C)N(CC(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011540	1	49	0.0	-55.29	372.90	8.47	-46.82
CCCN(CC(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011541	1	49	0.0	-54.62	383.30	8.94	-45.68
CCN(CC(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011542	1	46	0.0	-64.94	361.80	8.19	-56.75
CC[C@H](C)[C@H](NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011543	1	52	0.0	-64.66	393.46	7.31	-57.35
CC(CNC(=O)NC1(C(=O)[O-])CCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011544	1	50	0.0	-68.95	378.15	7.47	-61.48
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011545	1	53	0.0	-52.72	427.21	11.26	-41.46
CCC(C)(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011546	1	49	0.0	-64.71	368.90	6.71	-58.00
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011547	1	54	0.0	-68.25	419.21	9.78	-58.47
CC(CNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011548	1	50	0.0	-66.45	410.10	8.64	-57.81
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011549	1	53	0.0	-66.53	407.82	9.23	-57.30
CCN(CC(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011550	1	46	0.0	-64.94	361.80	8.19	-56.75
CCCCCCC(C)(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011551	1	61	0.0	-65.21	454.98	9.84	-55.37
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011552	1	56	0.0	-64.77	432.26	11.38	-53.39
CC(CNC(=O)NC1(C(=O)[O-])CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011553	1	44	0.0	-69.68	348.21	6.57	-63.11
CC(CNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011554	1	50	0.0	-62.35	417.02	8.95	-53.40
CC(CNC(=O)N1CCOCC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011555	1	48	0.0	-69.97	366.01	6.84	-63.13
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011556	1	56	0.0	-70.23	402.65	9.90	-60.33
CC(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011557	1	47	0.0	-64.29	371.68	6.82	-57.47
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011558	1	56	0.0	-55.65	444.09	11.93	-43.72
CC(CNC(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011559	1	53	0.0	-65.45	412.14	10.34	-55.11
COCCN(CC(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011560	1	50	0.0	-55.52	393.18	7.37	-48.15
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011561	1	54	0.0	-71.19	414.67	9.56	-61.63
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011562	1	47	0.0	-71.15	363.40	7.96	-63.19
CC(CNC(=O)N1CCCC[C@@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011563	1	50	0.0	-76.63	373.42	9.34	-67.29
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011564	1	46	0.0	-61.76	354.71	7.34	-54.42
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011565	1	47	0.0	-74.96	364.37	7.99	-66.97
CC(CNC(=O)NC1(C(=O)[O-])CCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011566	1	47	0.0	-69.29	364.62	7.07	-62.22
C=CCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011567	1	47	0.0	-64.67	377.80	6.85	-57.82
CC(CNC(=O)N1CCCC1(C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011568	1	50	0.0	-70.07	380.69	8.84	-61.23
CC(CNC(=O)N1CCCCCC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011569	1	53	0.0	-71.55	387.00	9.85	-61.70
CC(CNC(=O)NC(C(=O)[O-])C1CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011570	1	47	0.0	-64.29	371.68	6.82	-57.47
CC(CNC(=O)N(C)C(C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011571	1	46	0.0	-61.85	353.83	7.38	-54.47
CCCCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011572	1	52	0.0	-64.93	406.62	7.99	-56.94
CC(CNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011573	1	56	0.0	-55.65	444.09	11.93	-43.72
CC(CNC(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011574	1	50	0.0	-72.30	379.74	8.88	-63.42
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011575	1	53	0.0	-54.03	399.02	9.72	-44.31
COCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011576	1	47	0.0	-66.93	376.57	4.67	-62.26
CCCCCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011577	1	55	0.0	-64.92	428.12	8.77	-56.15
CCC1CCC(NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])CC1	REAL300013011578	1	59	0.0	-64.22	427.00	9.08	-55.14
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011579	1	54	0.0	-54.31	406.56	8.09	-46.22
CC(CNC(=O)N(C)C1(C(=O)[O-])CCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011580	1	53	0.0	-70.97	390.19	9.13	-61.84
CC(CNC(=O)N(C(C)C(=O)[O-])C1CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011581	1	50	0.0	-56.80	381.09	8.84	-47.96
CCC(C(=O)[O-])N(C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C1CC1	REAL300013011582	1	53	0.0	-54.41	401.87	9.87	-44.54
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011583	1	50	0.0	-67.85	410.63	8.93	-58.92
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011584	1	50	0.0	-71.59	404.20	8.60	-62.99
CC(CNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011585	1	54	0.0	-57.60	414.20	10.90	-46.70
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011586	1	59	0.0	-65.25	443.82	9.66	-55.59
CC(CNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011587	1	56	0.0	-53.75	433.66	11.72	-42.03
CC1=CC=C(C(NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1	REAL300013011588	1	53	0.0	-66.67	422.32	9.09	-57.58
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011589	1	46	0.0	-59.68	379.56	7.15	-52.53
CC(CNC(=O)NC1(C(=O)[O-])CCSCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011590	1	51	0.0	-64.11	392.07	8.29	-55.82
COCC(C)(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011591	1	50	0.0	-69.03	386.25	6.04	-62.99
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011592	1	53	0.0	-63.79	406.87	7.78	-56.01
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011593	1	52	0.0	-54.60	398.84	9.42	-45.18
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011594	1	59	0.0	-53.13	448.85	12.54	-40.59
CC(CNC(=O)N(CC(=O)[O-])C1CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011595	1	47	0.0	-56.12	365.06	8.71	-47.41
CC(CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011596	1	49	0.0	-54.17	402.32	9.28	-44.89
CC(CNC(=O)NC1(C(=O)[O-])CCOC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011597	1	48	0.0	-64.00	369.41	4.89	-59.11
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011598	1	56	0.0	-67.13	418.59	8.59	-58.54
CC(CNC(=O)N(C)C(COC1CCC1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011599	1	57	0.0	-64.33	432.61	9.15	-55.18
CC(CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011600	1	57	0.0	-75.80	438.12	12.59	-63.21
CC(CNC(=O)NC1(C(=O)[O-])CCOCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011601	1	51	0.0	-67.78	385.70	6.05	-61.73
C=CCCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011602	1	50	0.0	-64.67	398.83	7.72	-56.95
CC(CNC(=O)NC(CF)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011603	1	43	0.0	-54.76	345.65	5.37	-49.39
CC(CNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011604	1	56	0.0	-47.98	427.42	12.05	-35.93
CC(CNC(=O)N(C)C(C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011605	1	46	0.0	-61.85	353.83	7.38	-54.47
CCC(CC)(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011606	1	52	0.0	-65.92	384.39	7.64	-58.28
COC1=CC=C(C(NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1	REAL300013011607	1	54	0.0	-65.67	429.79	7.73	-57.94
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011608	1	52	0.0	-53.96	393.41	9.48	-44.48
CCC(COC)(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011609	1	53	0.0	-70.35	402.69	6.95	-63.40
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011610	1	56	0.0	-63.93	427.14	8.53	-55.40
CC(CNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011611	1	53	0.0	-68.91	410.92	4.59	-64.32
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011612	1	50	0.0	-65.12	395.62	7.79	-57.33
COCCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011613	1	50	0.0	-65.65	397.54	5.45	-60.20
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011614	1	55	0.0	-63.53	414.93	9.77	-53.76
CC(CNC(=O)NC(CC(F)F)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011615	1	46	0.0	-64.23	376.87	6.68	-57.55
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011616	1	56	0.0	-73.16	415.45	10.81	-62.35
CCCN(C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(C)C(=O)[O-]	REAL300013011617	1	52	0.0	-50.24	394.22	9.85	-40.39
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011618	1	56	0.0	-51.16	430.93	12.18	-38.98
CCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013011619	1	56	0.0	-67.79	424.80	10.13	-57.66
COC1CCCC(C(NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C1	REAL300013011620	1	60	0.0	-71.16	449.90	7.60	-63.56
CC(CNC(=O)NC(CCF)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011621	1	46	0.0	-64.25	371.35	6.48	-57.77
COC1(CC(NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])CCC1	REAL300013011622	1	57	0.0	-67.28	433.67	7.74	-59.54
CC(CNC(=O)N(CC(=O)[O-])C1CCOCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011623	1	54	0.0	-54.31	406.56	8.09	-46.22
CC(CNC(=O)N(CC(=O)[O-])C1CCCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011624	1	56	0.0	-54.43	416.43	10.42	-44.01
CC(CNC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011625	1	56	0.0	-68.73	408.08	8.93	-59.80
COC1=CC=CC(C(NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=C1	REAL300013011626	1	54	0.0	-68.70	430.20	7.78	-60.92
CC(CNC(=O)NC(C)(CCF)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011627	1	49	0.0	-61.96	374.60	6.88	-55.08
CC(CNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011628	1	51	0.0	-59.11	396.79	8.94	-50.17
CC(CNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011629	1	47	0.0	-68.22	376.34	8.18	-60.04
COC1=CC=CC([C@H](NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=C1	REAL300013011630	1	54	0.0	-68.21	428.56	7.74	-60.47
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011631	1	46	0.0	-61.87	355.21	7.50	-54.37
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C1	REAL300013011632	1	56	0.0	-71.82	428.67	10.16	-61.66
CC(CNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011633	1	59	0.0	-69.08	422.19	9.42	-59.66
CC(CNC(=O)N1CC2CC1(C(=O)[O-])C2)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011634	1	48	0.0	-75.37	369.13	8.95	-66.42
COC1CN(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C(C)(C(=O)[O-])C1	REAL300013011635	1	54	0.0	-70.51	413.03	7.81	-62.70
CC(CNC(=O)NC(CC1CCCOC1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011636	1	57	0.0	-64.95	435.27	7.21	-57.74
CC(CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011637	1	52	0.0	-66.73	394.29	7.47	-59.26
C=C(Cl)CC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011638	1	47	0.0	-61.63	392.10	7.56	-54.07
C=C(C)CC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011639	1	50	0.0	-65.40	397.66	7.71	-57.69
CC(CNC(=O)N1C2CCC1(C(=O)[O-])CC2)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011640	1	51	0.0	-77.07	385.40	9.73	-67.34
CC(CNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011641	1	47	0.0	-64.26	376.38	8.18	-56.08
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011642	1	47	0.0	-68.49	370.09	8.37	-60.12
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C1	REAL300013011643	1	48	0.0	-74.82	376.94	8.40	-66.42
CC(CNC(=O)NC(CC1CCOCC1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011644	1	57	0.0	-65.71	435.48	7.21	-58.50
CC(C)C[C@H](NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011645	1	52	0.0	-64.66	401.75	7.74	-56.92
CC(CNC(=O)NC(C(=O)[O-])C1CCOCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011646	1	54	0.0	-69.19	408.95	6.16	-63.03
CC(CNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011647	1	50	0.0	-65.94	400.29	8.43	-57.51
CC(CNC(=O)NC(CC1CC1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011648	1	50	0.0	-65.12	395.62	7.79	-57.33
CC(CNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011649	1	49	0.0	-63.89	409.73	6.51	-57.38
CC(C)CCCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011650	1	58	0.0	-65.03	445.69	9.27	-55.76
CC(CNC(=O)NC(CC1CCCO1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011651	1	54	0.0	-69.42	419.69	6.74	-62.68
CSCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011652	1	47	0.0	-63.20	388.55	6.73	-56.47
COC[C@H](NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011653	1	47	0.0	-66.18	376.13	4.56	-61.62
CC[C@H](NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011654	1	46	0.0	-64.37	362.67	6.36	-58.01
CC(CNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011655	1	53	0.0	-64.42	428.72	9.46	-54.96
CCC(C)CC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011656	1	55	0.0	-66.00	421.82	8.29	-57.71
C=CCCCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011657	1	53	0.0	-65.45	419.68	8.49	-56.96
CC(CNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011658	1	53	0.0	-64.33	429.64	9.46	-54.87
CC(CNC(=O)N1CCSCC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011659	1	48	0.0	-70.47	373.43	9.43	-61.04
CC(CNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011660	1	53	0.0	-66.53	407.82	9.23	-57.30
CC(CNC(=O)N1CCC[C@@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011661	1	47	0.0	-71.15	363.40	7.96	-63.19
CCCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011662	1	49	0.0	-65.40	385.37	7.15	-58.25
CC(C)[C@@H](NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011663	1	49	0.0	-65.42	380.92	6.95	-58.47
CC(CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011664	1	51	0.0	-79.12	383.93	9.92	-69.20
CCN(C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(C)(C)C(=O)[O-]	REAL300013011665	1	52	0.0	-67.86	388.59	9.16	-58.70
CCCN(C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(C)C(=O)[O-]	REAL300013011666	1	52	0.0	-50.24	394.22	9.85	-40.39
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011667	1	46	0.0	-60.88	376.42	8.69	-52.19
CC(CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011668	1	46	0.0	-60.88	376.42	8.69	-52.19
CC(CNC(=O)N(C)C(C)(C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011669	1	49	0.0	-67.95	369.01	8.28	-59.67
CC(CNC(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011670	1	47	0.0	-74.96	364.37	7.99	-66.97
CC(CNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011671	1	59	0.0	-55.81	449.75	6.64	-49.17
CC(CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011672	1	48	0.0	-72.54	374.66	4.58	-67.96
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011673	1	54	0.0	-53.61	416.17	11.33	-42.28
CC(CNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011674	1	57	0.0	-57.60	426.96	11.41	-46.19
CCC[C@@H](NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011675	1	49	0.0	-65.41	386.25	7.10	-58.31
CC(CNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011676	1	55	0.0	-65.93	420.70	9.58	-56.35
CC(CNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011677	1	50	0.0	-66.66	399.81	8.53	-58.13
CC(CNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011678	1	55	0.0	-67.24	441.14	8.40	-58.84
C=CCCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011679	1	50	0.0	-64.67	398.83	7.72	-56.95
CC(CNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011680	1	49	0.0	-67.71	408.57	6.45	-61.26
CC(CNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011681	1	50	0.0	-78.62	394.11	5.85	-72.77
CC(CNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011682	1	51	0.0	-65.35	389.86	7.59	-57.76
CC(CNC(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011683	1	50	0.0	-72.16	379.70	8.88	-63.28
CC(C)[C@H](NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011684	1	49	0.0	-65.96	380.92	6.95	-59.01
CC(CNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011685	1	50	0.0	-65.85	400.39	8.48	-57.37
CC(CNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011686	1	53	0.0	-67.57	409.50	7.78	-59.79
CC(CNC(=O)N(C)[C@@H](C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011687	1	46	0.0	-61.87	355.21	7.50	-54.37
CCC[C@H](NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011688	1	49	0.0	-64.31	384.54	7.16	-57.15
CCN(C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(C)C(=O)[O-]	REAL300013011689	1	49	0.0	-62.07	372.47	8.18	-53.89
CC(CNC(=O)N(CC(=O)[O-])C1CCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011690	1	53	0.0	-54.03	399.02	9.72	-44.31
CC(CN(C)C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011691	1	49	0.0	-68.81	377.13	8.14	-60.67
CC[C@H](C)[C@H](NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011692	1	52	0.0	-64.66	393.46	7.31	-57.35
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011693	1	49	0.0	-62.48	375.28	8.37	-54.11
CC(CNC(=O)NC1(C(=O)[O-])CC(CO)C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011694	1	51	0.0	-69.03	397.27	4.39	-64.64
CC(CNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011695	1	59	0.0	-68.24	446.53	7.69	-60.55
CC(CNC(=O)NC1(C(=O)[O-])CCC(C)C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011696	1	53	0.0	-68.80	400.92	8.12	-60.68
CC(CNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011697	1	56	0.0	-69.04	409.25	8.87	-60.17
COCCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011698	1	50	0.0	-65.65	397.54	5.45	-60.20
CC(CNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011699	1	56	0.0	-64.77	432.26	11.38	-53.39
CC(CNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011700	1	53	0.0	-69.25	402.42	8.81	-60.44
CC(CNC(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011701	1	50	0.0	-67.20	391.99	7.46	-59.74
CC(CNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011702	1	59	0.0	-67.94	447.22	7.68	-60.26
CC(CNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011703	1	48	0.0	-80.81	374.42	4.80	-76.01
CC(CNC(=O)NC(C(=O)[O-])C1CCOC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011704	1	51	0.0	-65.23	391.64	5.42	-59.81
CC(CNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011705	1	51	0.0	-78.55	385.87	9.45	-69.10
CC(CNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011706	1	54	0.0	-72.98	431.56	8.52	-64.46
CC(CNC(=O)N1CC2CC1(C(=O)[O-])CO2)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011707	1	49	0.0	-71.01	378.15	7.07	-63.94
CC(CNC(=O)N1CC(C)CCC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011708	1	53	0.0	-73.07	394.81	10.14	-62.93
CC(CNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011709	1	56	0.0	-65.41	437.39	9.74	-55.67
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011710	1	57	0.0	-65.87	437.55	9.52	-56.35
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011711	1	50	0.0	-65.96	384.02	7.26	-58.70
CC(CNC(=O)NC(C(=O)[O-])C1CCCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011712	1	56	0.0	-67.13	418.59	8.59	-58.54
CC(CNC(=O)NC(C(=O)[O-])C1CCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011713	1	50	0.0	-65.96	384.02	7.26	-58.70
CC(CNC(=O)N1CCC(C)C1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011714	1	50	0.0	-72.13	384.87	8.53	-63.60
C=CCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011715	1	47	0.0	-64.67	377.80	6.85	-57.82
CC(CNC(=O)NC(CC1CCCCO1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011716	1	57	0.0	-65.00	436.12	8.10	-56.90
CC(CNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011717	1	57	0.0	-50.57	409.42	10.13	-40.44
CC(CNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011718	1	57	0.0	-67.92	414.90	7.40	-60.52
CC1=CC=CC2=C1CCN(C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C2C(=O)[O-]	REAL300013011719	1	57	0.0	-59.19	431.61	11.41	-47.78
CC(CNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011720	1	51	0.0	-52.69	386.41	9.30	-43.39
CC(CNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011721	1	57	0.0	-65.87	437.55	9.52	-56.35
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011722	1	53	0.0	-67.58	428.47	9.52	-58.06
COC1CC(NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])C1	REAL300013011723	1	51	0.0	-70.84	399.45	6.07	-64.77
CC(CNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011724	1	47	0.0	-66.83	373.43	7.12	-59.71
CO[C@H]1C[C@](NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])C1	REAL300013011725	1	51	0.0	-67.14	396.61	6.38	-60.76
CC(CNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011726	1	50	0.0	-60.07	403.73	7.91	-52.16
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011727	1	53	0.0	-70.86	396.41	9.95	-60.91
CC(CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011728	1	46	0.0	-59.68	379.56	7.15	-52.53
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011729	1	54	0.0	-67.33	418.42	6.46	-60.87
CC(CNC(=O)NC1(C(=O)[O-])COC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011730	1	45	0.0	-63.56	355.98	4.12	-59.44
CC(CNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011731	1	50	0.0	-66.09	414.18	8.43	-57.66
CC(C)C(C)(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011732	1	52	0.0	-64.79	382.93	7.38	-57.41
CC(CNC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011733	1	48	0.0	-77.08	368.77	9.51	-67.57
CC(CNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011734	1	51	0.0	-76.58	385.85	9.09	-67.49
CC(CNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011735	1	56	0.0	-51.16	430.93	12.18	-38.98
CC(CNC(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011736	1	59	0.0	-65.25	443.82	9.66	-55.59
CC(CNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011737	1	56	0.0	-65.97	446.16	10.12	-55.85
CC(CNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011738	1	56	0.0	-65.52	445.92	10.19	-55.33
CC(CNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011739	1	57	0.0	-66.58	423.94	9.03	-57.55
CC(CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011740	1	59	0.0	-65.40	443.59	9.63	-55.77
CC(CNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011741	1	59	0.0	-65.73	443.97	9.64	-56.09
CC(CNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011742	1	57	0.0	-53.00	425.48	10.25	-42.75
CC(CNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011743	1	57	0.0	-77.46	422.45	9.97	-67.49
C=CCSCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011744	1	51	0.0	-63.22	421.85	8.18	-55.04
CC(CNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011745	1	54	0.0	-64.83	442.25	9.79	-55.04
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011746	1	52	0.0	-62.69	388.07	9.08	-53.61
COC1(C(NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])CCC1	REAL300013011747	1	54	0.0	-62.85	411.70	5.97	-56.88
CC(CNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011748	1	56	0.0	-65.82	425.89	9.34	-56.48
CC(CNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011749	1	57	0.0	-68.61	431.20	10.53	-58.08
CC(CNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011750	1	50	0.0	-69.92	397.25	7.89	-62.03
CC(C)C1=CC=C(C(NC(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1	REAL300013011752	1	59	0.0	-65.99	459.64	10.44	-55.55
CC(CNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011753	1	47	0.0	-68.49	370.09	8.37	-60.12
CC(CNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011754	1	49	0.0	-53.60	379.71	9.11	-44.49
CC(CNC(=O)N1CCC(C)(C)C1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011755	1	53	0.0	-71.77	394.58	9.22	-62.55
CC(CNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011756	1	57	0.0	-72.14	418.98	10.93	-61.21
CC(CNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011757	1	57	0.0	-67.03	441.65	10.30	-56.73
CC(C)CCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011758	1	55	0.0	-65.47	425.32	8.40	-57.07
CC(CNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011759	1	54	0.0	-53.62	410.28	9.73	-43.89
CC(CNC(=O)NC(CC1CCOC1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011760	1	54	0.0	-67.33	418.42	6.46	-60.87
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C1	REAL300013011761	1	51	0.0	-72.71	406.85	9.30	-63.41
CC(CNC(=O)NC1(C(=O)[O-])CCCC2CC21)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011762	1	54	0.0	-69.99	400.12	9.19	-60.80
CC(CNC(=O)NC1(C(=O)[O-])CCC2CC21)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011763	1	51	0.0	-69.67	386.36	8.32	-61.35
CC(CNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011764	1	54	0.0	-68.23	407.47	8.73	-59.50
CC(CNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011765	1	56	0.0	-64.52	430.99	11.40	-53.12
CC(CNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011766	1	60	0.0	-52.31	438.57	10.75	-41.56
CC(CNC(=O)NC(C(=O)[O-])C1CCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011767	1	53	0.0	-65.64	400.03	7.96	-57.68
CO[C@H](C)[C@H](NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011768	1	50	0.0	-66.46	393.88	5.62	-60.84
CC(CNC(=O)N[C@]1(C(=O)[O-])C(C)[C@H]1C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011769	1	50	0.0	-70.89	387.86	8.12	-62.77
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011770	1	53	0.0	-54.89	421.78	11.20	-43.69
CC(CNC(=O)N1CC(C)(C)CC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011771	1	53	0.0	-52.46	403.38	9.03	-43.43
CC(CNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011772	1	50	0.0	-69.82	384.80	9.39	-60.43
CC(CNC(=O)N1CCC(F)(F)C1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011773	1	47	0.0	-73.70	374.31	8.42	-65.28
CC(CNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011774	1	53	0.0	-67.58	428.47	9.52	-58.06
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011775	1	50	0.0	-65.39	412.89	8.36	-57.03
CC(CNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011776	1	50	0.0	-64.09	391.44	8.93	-55.16
CC(CNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011777	1	54	0.0	-68.89	427.06	9.12	-59.77
CC(CNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011778	1	50	0.0	-65.39	412.89	8.36	-57.03
CC(CNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011779	1	54	0.0	-75.13	401.60	9.42	-65.71
COCCCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011780	1	53	0.0	-64.49	419.69	6.23	-58.26
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011781	1	52	0.0	-62.34	397.73	9.24	-53.10
CCOCC(NC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013011782	1	50	0.0	-67.16	398.34	5.60	-61.56
CC(CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011783	1	55	0.0	-65.52	415.70	8.78	-56.74
CC(CNC(=O)NC(C(=O)[O-])C1CCCCO1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011784	1	54	0.0	-68.52	415.25	6.47	-62.05
CC(CNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011785	1	54	0.0	-68.25	419.21	9.78	-58.47
CC(CNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011786	1	51	0.0	-71.73	385.63	7.83	-63.90
CC(CNC(=O)NC(CCC#N)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011787	1	47	0.0	-66.74	385.70	6.88	-59.86
CC(CNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013011788	1	50	0.0	-55.92	402.33	9.35	-46.57
CC(CNC(=O)N(C)[C@H](C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013011789	1	46	0.0	-61.76	354.71	7.34	-54.42
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)C2=CC=C(N(C)C)[NH+]=C2)C1	REAL300013011790	1	54	0.0	-70.63	417.76	8.24	-62.39
COC1CC2(CC(CNC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])C2)C1	REAL300013011951	0	61	0.0	-62.71	460.63	7.11	-55.60
CC(C)C[C@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012077	1	55	0.0	-63.93	416.19	8.17	-55.76
C=CCOCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012078	1	54	0.0	-66.02	423.98	6.68	-59.34
C=CC(C)C(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012079	1	53	0.0	-61.44	406.42	7.98	-53.46
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300013012080	1	57	0.0	-67.35	421.31	6.65	-60.70
COC1CCN(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C(C(=O)[O-])C1	REAL300013012081	1	57	0.0	-71.70	416.79	8.89	-62.81
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCOC2)C=[NH+]1	REAL300013012082	1	57	0.0	-62.11	420.51	6.77	-55.34
CC1CCN(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C(C(=O)[O-])C1	REAL300013012083	1	56	0.0	-70.62	401.18	10.08	-60.54
CC1=CC(C(NC(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=CC(C)=C1	REAL300013012084	1	59	0.0	-65.70	456.31	10.36	-55.34
CC1=CC=C(C(NC(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1C	REAL300013012085	1	59	0.0	-66.05	452.15	10.16	-55.89
CC1=CC=CC(C(NC(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])=C1C	REAL300013012086	1	59	0.0	-65.45	442.79	9.98	-55.47
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012087	1	52	0.0	-54.34	396.04	9.44	-44.90
CC(C(=O)[O-])N(C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C1CCC1	REAL300013012088	1	56	0.0	-56.22	408.45	9.84	-46.38
CCCN(C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(COC)C(=O)[O-]	REAL300013012089	1	59	0.0	-62.99	434.61	9.04	-53.95
CCCN(C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(CC)C(=O)[O-]	REAL300013012090	1	58	0.0	-61.24	422.31	10.30	-50.94
CC(C)C(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012091	1	52	0.0	-62.35	391.68	7.38	-54.97
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])C=[NH+]1	REAL300013012092	1	53	0.0	-71.63	387.67	10.06	-61.57
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])C=[NH+]1	REAL300013012093	1	51	0.0	-67.98	387.16	9.76	-58.22
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)C=[NH+]1	REAL300013012094	1	56	0.0	-66.59	407.01	9.04	-57.55
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCCC2C(=O)[O-])C=[NH+]1	REAL300013012095	1	50	0.0	-68.93	375.36	8.79	-60.14
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300013012096	1	53	0.0	-67.11	390.66	7.94	-59.17
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCCC2)C=[NH+]1	REAL300013012097	1	59	0.0	-66.97	412.68	9.72	-57.25
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300013012098	1	56	0.0	-65.12	435.93	9.85	-55.27
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=[NH+]1	REAL300013012099	1	56	0.0	-54.73	433.54	11.69	-43.04
CN(C)C1=CC=C(C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300013012100	1	53	0.0	-65.28	413.67	8.92	-56.36
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300013012101	1	53	0.0	-64.59	413.13	8.99	-55.60
CCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012102	1	49	0.0	-63.59	377.59	6.90	-56.69
CC(C)C(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012103	1	52	0.0	-62.35	391.68	7.38	-54.97
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(C)CC(=O)[O-])C=[NH+]1	REAL300013012104	1	46	0.0	-63.07	352.73	7.70	-55.37
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300013012105	1	56	0.0	-65.12	435.93	9.85	-55.27
CC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012106	1	46	0.0	-55.86	355.67	5.82	-50.04
CCC(C)C(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012107	1	55	0.0	-64.78	411.59	8.08	-56.70
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(C)CC(=O)[O-])C=[NH+]1	REAL300013012108	1	46	0.0	-63.07	352.73	7.70	-55.37
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCCCC2C(=O)[O-])C=[NH+]1	REAL300013012109	1	53	0.0	-71.63	387.67	10.06	-61.57
CCCC(C)(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012110	1	55	0.0	-63.08	403.14	7.96	-55.12
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012111	1	52	0.0	-55.08	385.64	8.96	-46.12
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)C=[NH+]1	REAL300013012112	1	50	0.0	-55.35	378.69	9.16	-46.19
C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012113	1	50	0.0	-54.06	388.33	9.25	-44.81
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012114	1	55	0.0	-54.19	411.68	9.96	-44.23
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=[NH+]1	REAL300013012115	1	57	0.0	-71.13	424.31	11.93	-59.20
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C)(C)C(=O)[O-])C=[NH+]1	REAL300013012116	1	49	0.0	-54.82	368.25	6.22	-48.60
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2CC2)C=[NH+]1	REAL300013012117	1	53	0.0	-64.55	389.87	7.99	-56.56
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CS2)C=[NH+]1	REAL300013012118	1	50	0.0	-63.03	404.66	8.02	-55.01
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCCC2)C=[NH+]1	REAL300013012119	1	56	0.0	-66.59	407.01	9.04	-57.55
CC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012120	1	52	0.0	-55.08	385.64	8.96	-46.12
CCCN(CC(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012121	1	52	0.0	-54.34	396.04	9.44	-44.90
CCN(CC(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012122	1	49	0.0	-63.17	375.52	8.69	-54.48
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012123	1	55	0.0	-64.54	407.70	7.86	-56.68
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300013012124	1	53	0.0	-67.11	390.66	7.94	-59.17
CCC(C)(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012125	1	52	0.0	-62.76	381.64	7.21	-55.55
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=[NH+]1	REAL300013012126	1	57	0.0	-65.86	430.58	10.15	-55.71
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300013012127	1	56	0.0	-65.04	421.54	9.74	-55.30
C[C@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012128	1	46	0.0	-55.91	355.67	5.82	-50.09
CCN(CC(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012129	1	49	0.0	-63.17	375.52	8.69	-54.48
CCCCCCC(C)(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012130	1	64	0.0	-63.10	467.72	10.35	-52.75
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300013012131	1	59	0.0	-62.85	445.11	11.92	-50.93
C[C@@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012132	1	46	0.0	-55.90	354.79	5.86	-50.04
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC2)C=[NH+]1	REAL300013012133	1	47	0.0	-67.77	360.56	7.07	-60.70
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCOCC2C(=O)[O-])C=[NH+]1	REAL300013012134	1	51	0.0	-68.14	378.75	7.34	-60.80
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)C=[NH+]1	REAL300013012135	1	59	0.0	-68.12	416.37	10.40	-57.72
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)C=[NH+]1	REAL300013012136	1	50	0.0	-64.93	383.88	7.34	-57.59
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=[NH+]1	REAL300013012137	1	59	0.0	-55.34	456.83	12.42	-42.92
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(C)C(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300013012138	1	56	0.0	-66.18	423.41	11.16	-55.02
COCCN(CC(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012139	1	53	0.0	-55.47	405.91	7.86	-47.61
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C=[NH+]1	REAL300013012140	1	57	0.0	-69.09	427.81	10.08	-59.01
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=[NH+]1	REAL300013012141	1	50	0.0	-69.32	376.12	8.47	-60.85
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCCC[C@@H]2C(=O)[O-])C=[NH+]1	REAL300013012142	1	53	0.0	-77.16	387.06	9.75	-67.41
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012143	1	49	0.0	-60.48	366.58	7.87	-52.61
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])C=[NH+]1	REAL300013012144	1	50	0.0	-68.88	376.25	8.75	-60.13
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC2)C=[NH+]1	REAL300013012145	1	50	0.0	-67.22	377.75	7.60	-59.62
C=CCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012146	1	50	0.0	-62.99	389.65	7.40	-55.59
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCCC2(C)C(=O)[O-])C=[NH+]1	REAL300013012147	1	53	0.0	-68.86	392.08	9.31	-59.55
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCCCCC2C(=O)[O-])C=[NH+]1	REAL300013012148	1	56	0.0	-65.65	400.44	10.07	-55.58
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC2)C=[NH+]1	REAL300013012149	1	50	0.0	-64.93	383.88	7.34	-57.59
CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012150	1	49	0.0	-60.43	367.55	7.88	-52.55
CCCCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012151	1	55	0.0	-63.07	420.25	8.45	-54.62
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=[NH+]1	REAL300013012152	1	59	0.0	-55.34	456.83	12.42	-42.92
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C=[NH+]1	REAL300013012153	1	53	0.0	-74.16	393.27	9.25	-64.91
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)C=[NH+]1	REAL300013012154	1	56	0.0	-53.97	410.52	10.24	-43.73
COCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012155	1	50	0.0	-65.28	389.35	5.08	-60.20
CCCCCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012156	1	58	0.0	-63.04	441.75	9.23	-53.81
CCC1CCC(NC(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])CC1	REAL300013012157	1	62	0.0	-62.79	439.83	9.63	-53.16
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300013012158	1	57	0.0	-53.92	420.31	8.59	-45.33
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(C)C2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300013012159	1	56	0.0	-69.08	402.95	9.65	-59.43
CC(C(=O)[O-])N(C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C1CC1	REAL300013012160	1	53	0.0	-55.78	393.93	9.38	-46.40
CCC(C(=O)[O-])N(C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C1CC1	REAL300013012161	1	56	0.0	-54.12	414.61	10.37	-43.75
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C=[NH+]1	REAL300013012162	1	53	0.0	-70.41	418.07	9.00	-61.41
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=[NH+]1	REAL300013012163	1	57	0.0	-57.02	427.70	11.37	-45.65
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300013012164	1	62	0.0	-64.11	457.92	10.09	-54.02
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012165	1	59	0.0	-54.14	442.06	11.73	-42.41
CC1=CC=C(C(NC(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])C=C1	REAL300013012166	1	56	0.0	-64.77	433.40	9.67	-55.10
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=[NH+]1	REAL300013012167	1	49	0.0	-57.88	393.29	7.66	-50.22
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCSCC2)C=[NH+]1	REAL300013012168	1	54	0.0	-62.90	404.70	8.75	-54.15
COCC(C)(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012169	1	53	0.0	-66.98	399.88	6.49	-60.49
CCOCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012170	1	56	0.0	-61.88	419.97	8.19	-53.69
CC(C)CN(CC(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012171	1	55	0.0	-54.19	411.68	9.96	-44.23
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CC2)C=[NH+]1	REAL300013012172	1	50	0.0	-55.35	378.69	9.16	-46.19
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C=[NH+]1	REAL300013012173	1	52	0.0	-53.86	415.06	9.78	-44.08
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC2)C=[NH+]1	REAL300013012174	1	51	0.0	-62.54	381.99	5.41	-57.13
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)C=[NH+]1	REAL300013012175	1	59	0.0	-65.89	429.98	9.07	-56.82
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(C)C(COC2CCC2)C(=O)[O-])C=[NH+]1	REAL300013012176	1	60	0.0	-63.20	445.01	9.68	-53.52
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOCC2)C=[NH+]1	REAL300013012177	1	54	0.0	-65.73	398.44	6.55	-59.18
C=CCCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012178	1	53	0.0	-63.04	410.68	8.27	-54.77
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CF)C(=O)[O-])C=[NH+]1	REAL300013012179	1	46	0.0	-53.68	359.70	5.86	-47.82
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012180	1	59	0.0	-48.85	438.75	12.55	-36.30
CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012181	1	49	0.0	-60.43	367.55	7.88	-52.55
CCC(CC)(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012182	1	55	0.0	-63.90	397.42	8.15	-55.75
CCC(C)N(CC(=O)[O-])C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012183	1	55	0.0	-53.88	405.26	10.01	-43.87
CCC(COC)(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012184	1	56	0.0	-68.21	415.43	7.45	-60.76
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012185	1	59	0.0	-61.89	440.24	8.94	-52.95
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])C=[NH+]1	REAL300013012186	1	53	0.0	-63.59	408.58	8.33	-55.26
COCCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012187	1	53	0.0	-63.42	410.04	6.01	-57.41
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012188	1	58	0.0	-60.60	426.32	10.20	-50.40
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC(F)F)C(=O)[O-])C=[NH+]1	REAL300013012189	1	49	0.0	-59.67	387.23	7.40	-52.27
CCCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012190	1	59	0.0	-71.05	426.89	11.34	-59.71
CCCN(C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(C)C(=O)[O-]	REAL300013012191	1	55	0.0	-63.07	409.89	10.11	-52.96
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012192	1	59	0.0	-49.64	439.80	12.54	-37.10
CCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013012193	1	59	0.0	-65.72	438.53	10.64	-55.08
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CCF)C(=O)[O-])C=[NH+]1	REAL300013012194	1	49	0.0	-62.34	384.18	7.04	-55.30
COC1(CC(NC(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])CCC1	REAL300013012195	1	60	0.0	-65.65	448.20	7.91	-57.74
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300013012196	1	57	0.0	-53.92	420.31	8.59	-45.33
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)C=[NH+]1	REAL300013012197	1	59	0.0	-54.33	429.17	10.92	-43.41
C[C@H]1CC[C@@](NC(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])CC1	REAL300013012198	1	59	0.0	-66.76	419.78	9.50	-57.26
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C)(CCF)C(=O)[O-])C=[NH+]1	REAL300013012199	1	52	0.0	-59.86	388.32	7.40	-52.46
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=[NH+]1	REAL300013012200	1	54	0.0	-58.90	410.41	9.38	-49.52
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C=[NH+]1	REAL300013012201	1	50	0.0	-62.76	390.01	8.59	-54.17
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012202	1	49	0.0	-59.99	367.47	7.95	-52.04
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=[NH+]1	REAL300013012203	1	62	0.0	-67.44	434.05	9.96	-57.48
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])C3)C=[NH+]1	REAL300013012204	1	51	0.0	-73.26	383.66	9.42	-63.84
COC1CN(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C(C)(C(=O)[O-])C1	REAL300013012205	1	57	0.0	-69.14	425.40	8.29	-60.85
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2CCCOC2)C(=O)[O-])C=[NH+]1	REAL300013012206	1	60	0.0	-63.46	448.99	7.72	-55.74
CN(C)C1=CC=C(C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=[NH+]1	REAL300013012207	1	55	0.0	-64.80	408.29	7.95	-56.85
C=C(Cl)CC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012208	1	50	0.0	-60.31	405.08	8.00	-52.31
C=C(C)CC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012209	1	53	0.0	-63.97	409.76	8.18	-55.79
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2C3CCC2(C(=O)[O-])CC3)C=[NH+]1	REAL300013012210	1	54	0.0	-75.83	398.84	10.14	-65.69
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300013012211	1	50	0.0	-62.43	388.34	8.95	-53.48
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300013012212	1	50	0.0	-66.47	381.87	8.87	-57.60
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C1	REAL300013012213	1	51	0.0	-74.69	390.36	8.79	-65.90
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2CCOCC2)C(=O)[O-])C=[NH+]1	REAL300013012214	1	60	0.0	-64.36	447.25	7.70	-56.66
CC(C)C[C@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012215	1	55	0.0	-63.93	416.19	8.17	-55.76
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOCC2)C=[NH+]1	REAL300013012216	1	57	0.0	-67.35	421.31	6.65	-60.70
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300013012217	1	53	0.0	-64.59	413.13	8.99	-55.60
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2CC2)C(=O)[O-])C=[NH+]1	REAL300013012218	1	53	0.0	-63.59	408.58	8.33	-55.26
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C=[NH+]1	REAL300013012219	1	52	0.0	-62.00	420.59	7.09	-54.91
CC(C)CCCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012220	1	61	0.0	-63.09	459.32	9.74	-53.35
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2CCCO2)C(=O)[O-])C=[NH+]1	REAL300013012221	1	57	0.0	-67.39	432.57	7.34	-60.05
CSCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012222	1	50	0.0	-61.11	400.07	7.30	-53.81
COC[C@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012223	1	50	0.0	-64.94	387.84	5.12	-59.82
CC[C@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012224	1	49	0.0	-63.70	376.62	6.89	-56.81
CCC(C)CC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012225	1	58	0.0	-63.78	434.32	8.86	-54.92
C=CCCCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012226	1	56	0.0	-63.57	432.42	8.99	-54.58
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCSCC2C(=O)[O-])C=[NH+]1	REAL300013012227	1	51	0.0	-67.98	387.16	9.76	-58.22
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300013012228	1	56	0.0	-65.04	421.54	9.74	-55.30
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC[C@@H]2C(=O)[O-])C=[NH+]1	REAL300013012229	1	50	0.0	-69.32	376.12	8.47	-60.85
CCCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012230	1	52	0.0	-63.53	399.00	7.60	-55.93
CC(C)[C@@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012231	1	52	0.0	-63.84	389.71	7.22	-56.62
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=[NH+]1	REAL300013012232	1	54	0.0	-80.09	396.61	10.32	-69.77
CCN(C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(C)(C)C(=O)[O-]	REAL300013012233	1	55	0.0	-65.99	401.33	9.65	-56.34
CCCN(C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(C)C(=O)[O-]	REAL300013012234	1	55	0.0	-63.07	409.89	10.11	-52.96
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=[NH+]1	REAL300013012235	1	49	0.0	-59.16	390.05	9.14	-50.02
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=[NH+]1	REAL300013012236	1	49	0.0	-59.16	390.05	9.14	-50.02
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(C)C(C)(C)C(=O)[O-])C=[NH+]1	REAL300013012237	1	52	0.0	-66.00	381.85	8.75	-57.25
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC[C@H]2C(=O)[O-])C=[NH+]1	REAL300013012238	1	50	0.0	-68.88	376.25	8.75	-60.13
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C=[NH+]1	REAL300013012239	1	51	0.0	-71.00	387.39	5.09	-65.91
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012240	1	57	0.0	-53.34	428.91	11.84	-41.50
CCC[C@@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012241	1	52	0.0	-63.21	397.87	7.71	-55.50
CN(C)C1=CC=C(C(C)(C)CNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300013012242	1	53	0.0	-65.28	413.67	8.92	-56.36
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C=[NH+]1	REAL300013012243	1	58	0.0	-64.94	453.64	8.97	-55.97
C=CCCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012244	1	53	0.0	-63.04	410.68	8.27	-54.77
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C=[NH+]1	REAL300013012245	1	52	0.0	-65.88	421.33	6.95	-58.93
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C=[NH+]1	REAL300013012246	1	53	0.0	-76.35	405.87	6.35	-70.00
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CC(=O)N(C)CC2C(=O)[O-])C=[NH+]1	REAL300013012247	1	54	0.0	-63.31	403.40	8.07	-55.24
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC[C@]2(C)C(=O)[O-])C=[NH+]1	REAL300013012248	1	53	0.0	-74.35	393.36	9.32	-65.03
CC(C)[C@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012249	1	52	0.0	-64.09	393.66	7.46	-56.63
CN(C)C1=CC=C(C(C)(C)CNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300013012250	1	53	0.0	-65.36	412.37	8.93	-56.43
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=[NH+]1	REAL300013012251	1	56	0.0	-64.45	426.59	8.31	-56.14
C[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012252	1	49	0.0	-59.99	367.47	7.95	-52.04
CCC[C@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012253	1	52	0.0	-63.61	397.96	7.66	-55.95
CCN(C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(C)C(=O)[O-]	REAL300013012254	1	52	0.0	-60.37	384.79	8.61	-51.76
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CC(=O)[O-])C2CCCC2)C=[NH+]1	REAL300013012255	1	56	0.0	-53.97	410.52	10.24	-43.73
CC(CN(C)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012256	1	52	0.0	-66.30	389.06	8.61	-57.69
CC[C@H](C)[C@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012257	1	55	0.0	-64.54	407.70	7.86	-56.68
CC[C@@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012258	1	52	0.0	-60.61	388.06	9.08	-51.53
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(CO)C2)C=[NH+]1	REAL300013012259	1	54	0.0	-67.32	410.99	4.88	-62.44
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012260	1	62	0.0	-64.94	457.34	8.11	-56.83
CC1CCC(NC(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])C1	REAL300013012261	1	56	0.0	-66.65	413.67	8.63	-58.02
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C=[NH+]1	REAL300013012262	1	59	0.0	-67.01	422.00	9.37	-57.64
COCCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012263	1	53	0.0	-63.42	410.04	6.01	-57.41
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300013012264	1	59	0.0	-62.85	445.11	11.92	-50.93
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=[NH+]1	REAL300013012265	1	56	0.0	-67.76	415.05	9.27	-58.49
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2(C)CC2)C=[NH+]1	REAL300013012266	1	53	0.0	-64.66	404.59	7.94	-56.72
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012267	1	62	0.0	-65.52	461.38	8.12	-57.40
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C=[NH+]1	REAL300013012268	1	51	0.0	-80.43	385.81	5.25	-75.18
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCOC2)C=[NH+]1	REAL300013012269	1	54	0.0	-63.94	403.24	5.94	-58.00
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=[NH+]1	REAL300013012270	1	54	0.0	-78.35	398.31	9.85	-68.50
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CC3CC2(C(=O)[O-])CO3)C=[NH+]1	REAL300013012271	1	52	0.0	-69.38	389.33	7.59	-61.79
CC1CCC(C(=O)[O-])N(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C1	REAL300013012272	1	56	0.0	-71.15	408.53	10.64	-60.51
CC(C1=CC=CC=C1)C(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012273	1	59	0.0	-63.70	451.01	10.20	-53.50
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=[NH+]1	REAL300013012274	1	60	0.0	-63.49	445.72	10.64	-52.85
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)C=[NH+]1	REAL300013012275	1	53	0.0	-64.61	397.63	7.73	-56.88
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCC2)C=[NH+]1	REAL300013012276	1	59	0.0	-65.89	429.98	9.07	-56.82
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCC2)C=[NH+]1	REAL300013012277	1	53	0.0	-64.61	397.63	7.73	-56.88
CC1CCN(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C1C(=O)[O-]	REAL300013012278	1	53	0.0	-70.34	396.73	9.09	-61.25
C=CCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012279	1	50	0.0	-62.99	389.65	7.40	-55.59
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2CCCCO2)C(=O)[O-])C=[NH+]1	REAL300013012280	1	60	0.0	-66.50	449.99	8.07	-58.43
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=[NH+]1	REAL300013012281	1	60	0.0	-51.32	422.47	10.60	-40.72
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C=[NH+]1	REAL300013012282	1	60	0.0	-66.49	427.53	7.87	-58.62
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=[NH+]1	REAL300013012283	1	54	0.0	-53.42	398.12	9.81	-43.61
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=[NH+]1	REAL300013012284	1	60	0.0	-63.49	445.72	10.64	-52.85
COC1CC(NC(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])C1	REAL300013012285	1	54	0.0	-69.27	411.06	6.58	-62.69
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=[NH+]1	REAL300013012286	1	50	0.0	-65.14	386.17	7.61	-57.53
CO[C@H]1C[C@](NC(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)(C(=O)[O-])C1	REAL300013012287	1	54	0.0	-65.32	410.58	6.81	-58.51
CCC1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012288	1	56	0.0	-69.45	408.27	10.50	-58.95
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=[NH+]1	REAL300013012289	1	49	0.0	-57.88	393.29	7.66	-50.22
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])C=[NH+]1	REAL300013012290	1	57	0.0	-65.71	431.31	6.84	-58.87
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])COC2)C=[NH+]1	REAL300013012291	1	48	0.0	-61.39	368.42	4.64	-56.75
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C=[NH+]1	REAL300013012292	1	53	0.0	-63.89	427.07	8.96	-54.93
CC(C)C(C)(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012293	1	55	0.0	-63.43	396.56	7.83	-55.60
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300013012294	1	51	0.0	-78.62	383.55	9.95	-68.67
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300013012295	1	54	0.0	-70.54	399.99	9.57	-60.97
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012296	1	59	0.0	-49.64	439.80	12.54	-37.10
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300013012297	1	62	0.0	-64.11	457.92	10.09	-54.02
CN(C)C1=CC=C(C(C)(C)CNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300013012298	1	59	0.0	-64.06	457.19	10.68	-53.38
CN(C)C1=CC=C(C(C)(C)CNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300013012299	1	59	0.0	-64.67	457.64	10.66	-54.01
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=[NH+]1	REAL300013012300	1	60	0.0	-66.16	439.79	9.48	-56.68
CN(C)C1=CC=C(C(C)(C)CNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300013012301	1	62	0.0	-64.20	456.79	10.10	-54.10
CN(C)C1=CC=C(C(C)(C)CNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=[NH+]1	REAL300013012302	1	62	0.0	-64.24	456.79	10.11	-54.13
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=[NH+]1	REAL300013012303	1	60	0.0	-52.60	437.25	10.75	-41.85
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300013012304	1	60	0.0	-76.64	433.04	10.55	-66.09
C=CCSCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012305	1	54	0.0	-61.11	435.23	8.71	-52.40
CCC(C(=O)[O-])N(CC)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012306	1	55	0.0	-61.17	401.32	9.68	-51.49
COC1(C(NC(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C(=O)[O-])CCC1	REAL300013012307	1	57	0.0	-61.10	424.44	6.47	-54.63
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C=[NH+]1	REAL300013012308	1	53	0.0	-62.85	407.85	8.31	-54.54
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=[NH+]1	REAL300013012310	1	50	0.0	-66.47	381.87	8.87	-57.60
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=[NH+]1	REAL300013012311	1	52	0.0	-53.30	392.44	9.61	-43.69
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC(C)(C)C2C(=O)[O-])C=[NH+]1	REAL300013012312	1	56	0.0	-69.75	407.69	9.73	-60.02
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C=[NH+]1	REAL300013012313	1	60	0.0	-71.32	431.99	11.75	-59.57
CC(C)CCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012314	1	58	0.0	-63.23	437.92	9.01	-54.22
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=[NH+]1	REAL300013012315	1	57	0.0	-53.50	424.06	10.18	-43.32
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2CCOC2)C(=O)[O-])C=[NH+]1	REAL300013012316	1	57	0.0	-65.71	431.31	6.84	-58.87
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C1	REAL300013012317	1	54	0.0	-72.69	419.38	9.74	-62.95
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCCC3CC32)C=[NH+]1	REAL300013012318	1	57	0.0	-68.50	412.95	9.75	-58.75
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CCC3CC32)C=[NH+]1	REAL300013012319	1	54	0.0	-68.31	398.74	8.80	-59.51
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=[NH+]1	REAL300013012320	1	57	0.0	-66.10	421.35	9.22	-56.88
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)[O-])C=[NH+]1	REAL300013012321	1	59	0.0	-62.77	443.47	11.82	-50.95
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCC2)C=[NH+]1	REAL300013012322	1	56	0.0	-64.88	413.71	8.35	-56.53
CO[C@H](C)[C@H](NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012323	1	53	0.0	-64.63	405.98	6.14	-58.49
CC1[C@@H](C)[C@@]1(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012324	1	53	0.0	-74.79	400.42	8.55	-66.24
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=[NH+]1	REAL300013012325	1	56	0.0	-54.73	433.54	11.69	-43.04
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CC(C)(C)CC2C(=O)[O-])C=[NH+]1	REAL300013012326	1	56	0.0	-52.86	415.20	9.57	-43.29
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C=[NH+]1	REAL300013012327	1	53	0.0	-67.73	397.55	9.88	-57.85
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CCC(F)(F)C2C(=O)[O-])C=[NH+]1	REAL300013012328	1	50	0.0	-71.63	387.92	8.88	-62.75
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=[NH+]1	REAL300013012329	1	53	0.0	-63.68	425.23	8.85	-54.83
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=[NH+]1	REAL300013012330	1	53	0.0	-61.83	405.45	9.41	-52.42
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=[NH+]1	REAL300013012331	1	53	0.0	-63.68	425.23	8.85	-54.83
CN(C)C1=CC=C(C(C)(C)CNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=[NH+]1	REAL300013012332	1	57	0.0	-77.30	413.34	10.11	-67.19
COCCCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012333	1	56	0.0	-62.72	432.43	6.74	-55.98
CCCC(C(=O)[O-])N(C)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012334	1	55	0.0	-60.61	410.56	9.79	-50.82
CCOCC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013012335	1	53	0.0	-65.56	410.19	6.14	-59.42
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=[NH+]1	REAL300013012336	1	58	0.0	-64.09	428.44	9.28	-54.81
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(C(=O)[O-])C2CCCCO2)C=[NH+]1	REAL300013012337	1	57	0.0	-67.30	427.11	7.02	-60.28
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=[NH+]1	REAL300013012338	1	57	0.0	-65.86	430.58	10.15	-55.71
C[C@H]1OCCN(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)[C@@H]1C(=O)[O-]	REAL300013012339	1	54	0.0	-74.73	398.28	8.08	-66.65
CN(C)C1=CC=C(C(C)(C)CNC(=O)NC(CCC#N)C(=O)[O-])C=[NH+]1	REAL300013012340	1	50	0.0	-64.33	398.22	7.45	-56.88
CN(C)C1=CC=C(C(C)(C)CNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C=[NH+]1	REAL300013012341	1	53	0.0	-55.28	415.06	9.84	-45.44
C[C@H](C(=O)[O-])N(C)C(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013012342	1	49	0.0	-60.48	366.58	7.87	-52.61
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC(C)(C)C2=CC=C(N(C)C)[NH+]=C2)C1	REAL300013012343	1	57	0.0	-65.76	429.68	8.83	-56.93
CC1=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=CC=C1C#N	REAL300013012790	0	57	0.0	-60.50	447.48	8.84	-51.66
CC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])OC(C)(C)C	REAL300013013047	0	59	0.0	-58.47	428.98	6.12	-52.35
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCCOC(C)(C)C)CC1	REAL300013013318	0	62	0.0	-59.18	458.88	6.88	-52.30
CC1=COC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300013013529	0	50	0.0	-62.96	393.83	6.23	-56.73
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=C(C3CC3)C=C2)CC1	REAL300013013788	0	60	0.0	-59.45	456.69	10.06	-49.39
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCCCF)CC1	REAL300013013998	0	52	0.0	-59.49	397.14	6.63	-52.86
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCCCCC2CC2)CC1	REAL300013014185	0	59	0.0	-58.34	443.66	8.84	-49.50
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC23CC(C)(C2)OC3)CC1	REAL300013014414	0	58	0.0	-62.69	437.52	6.31	-56.38
CC(C)CN1N=CC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013014692	0	59	0.0	-63.21	455.17	7.39	-55.82
CCC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(F)=C1	REAL300013014978	0	56	0.0	-68.26	439.75	8.87	-59.39
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCN2N=NC3=CC=CC=C32)CC1	REAL300013015859	0	55	0.0	-66.09	435.64	6.08	-60.01
CC(C)C[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013015992	1	46	0.0	-63.51	355.22	7.34	-56.17
C=CCOCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013015993	1	45	0.0	-69.21	363.00	5.84	-63.37
C=CC(C)C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013015994	1	44	0.0	-68.67	342.10	6.88	-61.79
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCOCC1	REAL300013015995	1	48	0.0	-62.71	363.65	6.01	-56.70
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=C(F)C(F)=C1	REAL300013015996	1	44	0.0	-62.05	365.41	8.20	-53.85
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=C(Cl)C(F)=C1	REAL300013015997	1	44	0.0	-61.99	375.31	8.65	-53.34
COC1CCN(C(=O)NCC2CCCC3=[NH+]C=CN32)C(C(=O)[O-])C1	REAL300013015998	1	48	0.0	-77.56	356.09	7.99	-69.57
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCOC1	REAL300013015999	1	48	0.0	-65.44	360.41	5.90	-59.54
CC1CCN(C(=O)NCC2CCCC3=[NH+]C=CN32)C(C(=O)[O-])C1	REAL300013016000	1	47	0.0	-76.77	339.37	9.24	-67.53
CC1=CC(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])=CC=C1F	REAL300013016001	1	47	0.0	-64.35	379.16	8.86	-55.49
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=C2OCCC2=C1	REAL300013016002	1	49	0.0	-67.47	388.35	8.00	-59.47
CC1=CC(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])=CC(C)=C1	REAL300013016003	1	50	0.0	-65.61	395.48	9.39	-56.22
CC1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1C	REAL300013016004	1	50	0.0	-65.61	391.07	9.27	-56.34
COC1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1Cl	REAL300013016005	1	48	0.0	-65.16	398.23	7.94	-57.22
CC1=CC=CC(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])=C1C	REAL300013016006	1	50	0.0	-68.23	385.46	9.20	-59.03
COC1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1F	REAL300013016007	1	48	0.0	-65.45	388.43	7.45	-58.00
CC(C(=O)[O-])N(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CCC1	REAL300013016008	1	47	0.0	-49.14	348.27	8.87	-40.27
CCCN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(COC)C(=O)[O-]	REAL300013016009	1	50	0.0	-66.76	368.56	8.03	-58.73
CCCN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(CC)C(=O)[O-]	REAL300013016010	1	49	0.0	-65.01	359.11	9.44	-55.57
O=C([O-])C1CCCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016011	1	44	0.0	-77.06	326.61	9.19	-67.87
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=C(Cl)C=C1	REAL300013016012	1	44	0.0	-64.26	369.43	8.59	-55.67
O=C([O-])C1CSCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016013	1	42	0.0	-74.86	326.76	9.12	-65.74
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCCCC1	REAL300013016014	1	47	0.0	-67.62	346.04	8.22	-59.40
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCCC1	REAL300013016015	1	44	0.0	-67.74	331.53	7.12	-60.62
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCCCCC1	REAL300013016016	1	50	0.0	-73.46	351.71	8.89	-64.57
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016017	1	47	0.0	-64.98	374.90	9.01	-55.97
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016018	1	47	0.0	-45.60	371.81	10.78	-34.82
O=C([O-])[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC=C1	REAL300013016019	1	44	0.0	-67.39	352.46	8.16	-59.23
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC=C1	REAL300013016020	1	44	0.0	-67.42	352.44	8.16	-59.26
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016021	1	47	0.0	-64.98	374.90	9.01	-55.97
CCC(C)C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016022	1	46	0.0	-67.20	349.64	7.23	-59.97
O=C([O-])C1CCCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016023	1	44	0.0	-77.06	326.61	9.19	-67.87
CCCC(C)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016024	1	46	0.0	-67.58	342.16	7.14	-60.44
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016025	1	46	0.0	-45.42	349.01	9.06	-36.36
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016026	1	48	0.0	-76.21	363.25	11.02	-65.19
CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)(C(=O)[O-])C1CC1	REAL300013016027	1	44	0.0	-64.78	330.10	7.13	-57.65
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CS1	REAL300013016028	1	41	0.0	-62.12	343.68	7.19	-54.93
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCCCC1	REAL300013016029	1	47	0.0	-67.62	346.04	8.22	-59.40
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016030	1	47	0.0	-43.53	388.54	11.30	-32.23
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016031	1	51	0.0	-65.70	404.00	9.08	-56.62
CC[C@H](C)[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016032	1	46	0.0	-62.97	346.11	6.94	-56.03
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCCC1	REAL300013016033	1	44	0.0	-67.74	331.53	7.12	-60.62
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016034	1	47	0.0	-43.71	378.22	10.85	-32.86
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CC2=CC=CC=C2C1	REAL300013016035	1	48	0.0	-69.78	370.64	9.26	-60.52
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC(F)=CC=C1F	REAL300013016036	1	44	0.0	-67.80	363.55	8.24	-59.56
CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)(C(=O)[O-])C1=CC=CC=C1	REAL300013016037	1	47	0.0	-68.68	360.49	8.85	-59.83
CCCCCCC(C)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016038	1	55	0.0	-67.83	406.66	9.47	-58.36
CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013016039	1	50	0.0	-62.57	385.49	10.98	-51.59
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=C(Cl)C=C1	REAL300013016040	1	44	0.0	-64.26	369.43	8.59	-55.67
O=C([O-])C1COCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016041	1	42	0.0	-73.04	317.69	6.50	-66.54
CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C1(C(=O)[O-])CCCCC1	REAL300013016042	1	50	0.0	-74.56	355.30	9.53	-65.03
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016043	1	50	0.0	-46.50	394.21	11.55	-34.95
CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(C(=O)[O-])C1=CC=CC=C1	REAL300013016044	1	47	0.0	-61.70	358.83	9.66	-52.04
COCCN(CC(=O)[O-])C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016045	1	44	0.0	-46.25	344.23	6.96	-39.29
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCC2=CC=CC=C21	REAL300013016046	1	48	0.0	-69.66	367.38	9.14	-60.52
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016047	1	44	0.0	-75.82	325.96	8.96	-66.86
CC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016048	1	44	0.0	-69.96	332.36	8.46	-61.50
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016049	1	51	0.0	-77.37	408.85	8.97	-68.40
O=C([O-])C1CCCCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016050	1	47	0.0	-75.24	339.10	9.68	-65.56
CCCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016051	1	46	0.0	-67.40	359.52	7.55	-59.85
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016052	1	50	0.0	-46.50	394.21	11.55	-34.95
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016053	1	44	0.0	-69.89	332.34	8.46	-61.43
O=C([O-])CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCC1	REAL300013016054	1	47	0.0	-52.98	349.37	9.33	-43.65
CCCCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016055	1	49	0.0	-66.90	380.78	8.39	-58.51
CCC1CCC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])CC1	REAL300013016056	1	53	0.0	-72.37	385.12	9.46	-62.91
O=C([O-])CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CCOCC1	REAL300013016057	1	48	0.0	-45.08	357.59	7.68	-37.40
CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C1(C(=O)[O-])CCCC1	REAL300013016058	1	47	0.0	-75.60	342.16	9.00	-66.60
CC(C(=O)[O-])N(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CC1	REAL300013016059	1	44	0.0	-49.36	333.83	8.45	-40.91
CCC(C(=O)[O-])N(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CC1	REAL300013016060	1	47	0.0	-55.80	354.29	9.68	-46.12
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC=C1Cl	REAL300013016061	1	44	0.0	-65.92	362.82	8.49	-57.43
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC=C1F	REAL300013016062	1	44	0.0	-70.71	357.10	8.16	-62.55
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016063	1	48	0.0	-48.58	367.61	10.50	-38.08
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016064	1	47	0.0	-64.31	385.40	9.06	-55.25
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016065	1	53	0.0	-73.81	418.48	11.14	-62.67
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016066	1	53	0.0	-63.24	396.02	9.22	-54.02
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016067	1	50	0.0	-45.02	376.69	11.34	-33.68
CC1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1	REAL300013016068	1	47	0.0	-64.89	374.07	8.75	-56.14
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016069	1	40	0.0	-60.95	332.46	6.69	-54.26
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC2=CC=CC=C2C=C1	REAL300013016070	1	50	0.0	-68.84	398.40	10.42	-58.42
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCSCC1	REAL300013016071	1	45	0.0	-67.81	343.74	7.91	-59.90
COCC(C)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016072	1	44	0.0	-71.61	338.91	5.66	-65.95
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016073	1	47	0.0	-64.33	358.90	7.31	-57.02
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016074	1	46	0.0	-45.42	349.01	9.06	-36.36
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016075	1	53	0.0	-50.08	392.29	11.42	-38.66
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016076	1	43	0.0	-45.27	352.44	8.91	-36.36
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCOC1	REAL300013016077	1	42	0.0	-63.92	322.17	4.51	-59.41
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCCC1	REAL300013016078	1	50	0.0	-68.90	369.59	8.29	-60.61
CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(COC1CCC1)C(=O)[O-]	REAL300013016079	1	51	0.0	-61.03	385.23	8.76	-52.27
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016080	1	51	0.0	-74.75	391.97	12.00	-62.75
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCOCC1	REAL300013016081	1	45	0.0	-71.14	337.47	5.72	-65.42
C=CCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016082	1	44	0.0	-67.25	350.83	7.33	-59.92
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016083	1	50	0.0	-41.92	378.04	10.62	-31.30
CCC(CC)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016084	1	46	0.0	-64.87	337.34	7.27	-57.60
COC1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1	REAL300013016085	1	48	0.0	-67.17	381.96	7.46	-59.71
CCC(C)N(CC(=O)[O-])C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016086	1	46	0.0	-43.16	344.82	9.27	-33.89
CCC(COC)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016087	1	47	0.0	-69.43	355.58	6.57	-62.86
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016088	1	50	0.0	-64.83	379.79	8.16	-56.67
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCS(=O)(=O)CC1	REAL300013016089	1	47	0.0	-72.76	362.49	4.21	-68.55
O=C([O-])C(CC1CC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016090	1	44	0.0	-63.15	348.13	7.56	-55.59
COCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016091	1	44	0.0	-67.31	349.96	5.13	-62.18
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016092	1	49	0.0	-63.71	365.35	9.38	-54.33
O=C([O-])C(CC(F)F)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016093	1	40	0.0	-66.61	328.63	6.35	-60.26
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016094	1	50	0.0	-70.76	369.56	10.36	-60.40
CCCN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(C)C(=O)[O-]	REAL300013016095	1	46	0.0	-69.54	345.41	9.10	-60.44
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016096	1	50	0.0	-50.48	380.84	11.46	-39.02
CCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013016097	1	50	0.0	-66.74	394.19	10.27	-56.47
CCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)(C(=O)[O-])C1=CC=CC=C1	REAL300013016098	1	50	0.0	-69.82	377.49	9.75	-60.07
COC1CCCC(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C1	REAL300013016099	1	54	0.0	-67.76	407.65	7.46	-60.30
COC1(CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])CCC1	REAL300013016100	1	51	0.0	-66.87	386.88	7.11	-59.76
O=C([O-])CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CCOCC1	REAL300013016101	1	48	0.0	-45.08	357.59	7.68	-37.40
O=C([O-])CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCCC1	REAL300013016102	1	50	0.0	-53.33	366.74	10.05	-43.28
C[C@H]1CC[C@@](NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])CC1	REAL300013016103	1	50	0.0	-72.55	359.87	8.60	-63.95
COC1=CC=CC(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])=C1	REAL300013016104	1	48	0.0	-69.80	381.96	7.45	-62.35
CC(CCF)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016105	1	43	0.0	-64.33	327.25	6.52	-57.81
O=C([O-])C1C2=C(CCN1C(=O)NCC1CCCC3=[NH+]C=CN31)OC=C2	REAL300013016106	1	45	0.0	-57.31	348.98	8.64	-48.67
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016107	1	41	0.0	-65.25	330.31	7.66	-57.59
COC1=CC=CC([C@H](NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])=C1	REAL300013016108	1	48	0.0	-66.81	381.56	7.39	-59.42
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300013016109	1	50	0.0	-74.23	379.92	9.48	-64.75
COC1=CC=CC(CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])=C1	REAL300013016110	1	51	0.0	-63.71	404.40	8.32	-55.39
CC1(C)CCCC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])C1	REAL300013016111	1	53	0.0	-68.81	373.96	9.09	-59.72
O=C([O-])C12CC(C1)CN2C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016112	1	42	0.0	-78.94	322.58	8.55	-70.39
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016113	1	50	0.0	-63.16	394.82	9.73	-53.43
CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300013016114	1	49	0.0	-60.69	388.70	9.53	-51.16
COC1CN(C(=O)NCC2CCCC3=[NH+]C=CN32)C(C)(C(=O)[O-])C1	REAL300013016115	1	48	0.0	-69.56	365.60	7.42	-62.14
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016116	1	51	0.0	-62.49	383.45	7.59	-54.90
CC(C)(C)[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016117	1	46	0.0	-64.50	347.32	7.11	-57.39
C=C(Cl)CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016118	1	41	0.0	-62.42	344.75	7.19	-55.23
C=C(C)CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016119	1	44	0.0	-68.01	349.42	7.38	-60.63
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016120	1	45	0.0	-78.57	335.09	9.37	-69.20
CC(CC1=CC=C(F)C=C1)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016121	1	50	0.0	-63.78	384.49	9.28	-54.50
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016122	1	41	0.0	-64.17	328.26	8.08	-56.09
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016123	1	41	0.0	-67.43	321.71	8.01	-59.42
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300013016124	1	42	0.0	-74.51	328.69	7.97	-66.54
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016125	1	51	0.0	-64.19	387.15	6.83	-57.36
CC(C)C[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016126	1	46	0.0	-63.51	355.22	7.34	-56.17
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCOCC1	REAL300013016127	1	48	0.0	-62.71	363.65	6.01	-56.70
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC=C1	REAL300013016128	1	44	0.0	-67.42	352.44	8.16	-59.26
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC(C(F)(F)F)=C1	REAL300013016129	1	47	0.0	-64.26	391.40	9.07	-55.19
O=C([O-])C(CC1CC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016130	1	44	0.0	-63.15	348.13	7.56	-55.59
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016131	1	43	0.0	-61.64	360.68	6.20	-55.44
CC(C)CCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016132	1	52	0.0	-67.01	398.34	8.91	-58.10
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016133	1	50	0.0	-66.97	404.58	9.48	-57.49
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016134	1	48	0.0	-71.91	372.71	6.39	-65.52
CSCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016135	1	41	0.0	-64.18	340.22	6.35	-57.83
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016136	1	47	0.0	-67.34	381.12	9.15	-58.19
CCC(C)CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016137	1	49	0.0	-67.51	373.21	8.02	-59.49
C=CCCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016138	1	47	0.0	-67.16	372.09	8.17	-58.99
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016139	1	47	0.0	-62.51	380.46	9.10	-53.41
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC2=CC=CC=C21	REAL300013016140	1	50	0.0	-71.09	392.56	10.26	-60.83
O=C([O-])C1CSCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016141	1	42	0.0	-74.86	326.76	9.12	-65.74
CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)(C(=O)[O-])C1=CC=CC=C1	REAL300013016142	1	47	0.0	-68.68	360.49	8.85	-59.83
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016143	1	45	0.0	-79.19	334.57	9.39	-69.80
CCN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(C)(C)C(=O)[O-]	REAL300013016144	1	46	0.0	-71.65	336.29	8.66	-62.99
CCCN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(C)C(=O)[O-]	REAL300013016145	1	46	0.0	-69.54	345.41	9.10	-60.44
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016146	1	40	0.0	-58.93	327.69	8.38	-50.55
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016147	1	40	0.0	-58.93	327.69	8.38	-50.55
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016148	1	53	0.0	-46.27	401.15	6.25	-40.02
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016149	1	42	0.0	-76.86	326.58	4.19	-72.67
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC3=NC=CN32)CC1	REAL300013016150	0	57	0.0	-69.42	425.87	8.03	-61.39
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016151	1	48	0.0	-50.16	368.65	11.01	-39.15
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2CCCC3=[NH+]C=CN32)[C@H]1C(=O)[O-]	REAL300013016152	1	51	0.0	-57.13	379.30	11.19	-45.94
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016153	1	49	0.0	-61.04	369.91	9.09	-51.95
O=C([O-])[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC=C1	REAL300013016154	1	44	0.0	-67.39	352.46	8.16	-59.23
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=C(C(F)(F)F)C=C1	REAL300013016155	1	47	0.0	-60.50	391.15	9.16	-51.34
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016156	1	49	0.0	-69.27	392.57	8.09	-61.18
C=CCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016157	1	44	0.0	-67.25	350.83	7.33	-59.92
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016158	1	43	0.0	-71.41	361.47	6.01	-65.40
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016159	1	44	0.0	-60.01	380.99	7.82	-52.19
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016160	1	44	0.0	-81.87	345.29	5.45	-76.42
CN1CC(C(=O)[O-])N(C(=O)NCC2CCCC3=[NH+]C=CN32)CC1=O	REAL300013016161	1	45	0.0	-67.53	343.19	7.18	-60.35
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016162	1	44	0.0	-74.54	331.40	8.43	-66.11
O=C([O-])[C@@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC=C1	REAL300013016163	1	44	0.0	-64.17	352.05	8.10	-56.07
CC(CN1C=CC=N1)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016164	1	47	0.0	-70.39	362.14	7.41	-62.98
O=C([O-])CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCC1	REAL300013016165	1	47	0.0	-52.98	349.37	9.33	-43.65
CC[C@H](C)[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016166	1	46	0.0	-62.97	346.11	6.94	-56.03
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CC(CO)C1	REAL300013016167	1	45	0.0	-72.13	349.93	4.00	-68.13
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016168	1	53	0.0	-65.12	400.00	7.31	-57.81
CC1CCC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])C1	REAL300013016169	1	47	0.0	-72.05	352.59	7.74	-64.31
CC1(C)CCCC1(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016170	1	50	0.0	-68.30	360.39	8.34	-59.96
COCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016171	1	44	0.0	-67.31	349.96	5.13	-62.18
CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013016172	1	50	0.0	-62.57	385.49	10.98	-51.59
CC1(C)CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])C1	REAL300013016173	1	47	0.0	-73.42	354.08	8.43	-64.99
CC1CCC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])C2=CC=CC=C21	REAL300013016174	1	54	0.0	-69.72	401.70	10.46	-59.26
CC1(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])CC1	REAL300013016175	1	44	0.0	-63.87	345.25	7.13	-56.74
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016176	1	53	0.0	-68.87	400.41	7.29	-61.58
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016177	1	42	0.0	-76.76	327.22	4.39	-72.37
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016178	1	52	0.0	-49.79	394.85	11.64	-38.15
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCOC1	REAL300013016179	1	45	0.0	-65.77	348.77	5.06	-60.71
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016180	1	45	0.0	-75.04	336.67	9.02	-66.02
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CNC2=CC=CC=C12	REAL300013016181	1	48	0.0	-76.26	384.61	8.14	-68.12
O=C([O-])C12COC(CN1C(=O)NCC1CCCC3=[NH+]C=CN31)C2	REAL300013016182	1	43	0.0	-74.51	329.92	6.74	-67.77
CC1CCC(C(=O)[O-])N(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300013016183	1	47	0.0	-77.65	342.88	10.07	-67.58
CC(C1=CC=CC=C1)C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016184	1	50	0.0	-64.30	391.68	9.43	-54.87
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016185	1	51	0.0	-63.25	389.11	9.21	-54.04
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCC1	REAL300013016186	1	44	0.0	-64.16	343.28	7.05	-57.11
CC1(C)CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])CC(C)(C)O1	REAL300013016187	1	57	0.0	-66.26	409.72	8.77	-57.49
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCCC1	REAL300013016188	1	50	0.0	-68.90	369.59	8.29	-60.61
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCC1	REAL300013016189	1	44	0.0	-64.16	343.28	7.05	-57.11
CC1CCN(C(=O)NCC2CCCC3=[NH+]C=CN32)C1C(=O)[O-]	REAL300013016190	1	44	0.0	-70.59	328.30	8.43	-62.16
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016191	1	51	0.0	-67.43	388.51	7.80	-59.63
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016192	1	51	0.0	-40.76	369.88	9.89	-30.87
CC1(C)CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])CCO1	REAL300013016193	1	51	0.0	-67.91	366.59	7.02	-60.89
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016194	1	50	0.0	-70.21	413.14	10.28	-59.93
CC1=CC=CC2=C1CCN(C(=O)NCC1CCCC3=[NH+]C=CN31)C2C(=O)[O-]	REAL300013016195	1	51	0.0	-48.95	385.19	11.04	-37.91
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016196	1	45	0.0	-51.13	338.01	8.93	-42.20
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016197	1	51	0.0	-63.25	389.11	9.21	-54.04
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016198	1	47	0.0	-72.25	381.12	9.15	-63.10
COC1CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])C1	REAL300013016199	1	45	0.0	-65.40	349.26	5.58	-59.82
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CC(F)(F)C1	REAL300013016200	1	41	0.0	-67.78	326.25	6.74	-61.04
CO[C@H]1C[C@](NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])C1	REAL300013016201	1	45	0.0	-67.90	348.99	5.59	-62.31
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1(C(F)(F)F)CC1	REAL300013016202	1	44	0.0	-61.10	357.78	7.49	-53.61
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016203	1	47	0.0	-77.43	345.50	9.70	-67.73
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016204	1	40	0.0	-60.95	332.46	6.69	-54.26
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016205	1	48	0.0	-64.78	371.81	6.14	-58.64
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016206	1	44	0.0	-66.72	366.90	8.08	-58.64
COCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)(C(=O)[O-])C1=CC=CC=C1	REAL300013016207	1	51	0.0	-67.53	393.69	8.08	-59.45
CC(C)C(C)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016208	1	46	0.0	-64.38	335.58	7.00	-57.38
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016209	1	42	0.0	-76.89	321.97	9.09	-67.80
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016210	1	45	0.0	-76.48	338.11	8.67	-67.81
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016211	1	50	0.0	-50.48	380.84	11.46	-39.02
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016212	1	53	0.0	-63.24	396.02	9.22	-54.02
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016213	1	50	0.0	-64.51	397.93	9.79	-54.72
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016214	1	50	0.0	-68.05	397.69	9.85	-58.20
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CC2CCC1C2	REAL300013016215	1	51	0.0	-65.43	375.98	8.74	-56.69
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016216	1	53	0.0	-68.27	396.66	9.28	-58.99
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016217	1	53	0.0	-63.91	396.86	9.21	-54.70
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016218	1	51	0.0	-39.22	370.98	9.56	-29.66
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016219	1	51	0.0	-72.63	371.84	9.65	-62.98
COC1=CC=C(CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1	REAL300013016220	1	51	0.0	-64.60	404.39	8.31	-56.29
C=CCSCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016221	1	45	0.0	-63.76	374.26	7.88	-55.88
N#CC1=CC=C(CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1	REAL300013016222	1	48	0.0	-64.57	395.72	9.41	-55.16
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016223	1	51	0.0	-83.96	414.35	9.07	-74.89
CCC(C(=O)[O-])N(CC)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016224	1	46	0.0	-64.75	336.84	8.67	-56.08
COC1(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])CCC1	REAL300013016225	1	48	0.0	-60.21	364.12	5.68	-54.53
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCC(C(F)F)CC1	REAL300013016226	1	50	0.0	-68.93	377.65	9.00	-59.93
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCC2=CC=CC=C2C1	REAL300013016227	1	51	0.0	-68.17	384.00	10.14	-58.03
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CC(C(F)F)C1	REAL300013016228	1	44	0.0	-75.51	349.51	7.56	-67.95
CC(C)(C)C1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1	REAL300013016230	1	56	0.0	-67.42	428.91	10.40	-57.02
CC(C)C1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1	REAL300013016231	1	53	0.0	-67.04	412.66	10.09	-56.95
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016232	1	41	0.0	-67.43	321.71	8.01	-59.42
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016233	1	43	0.0	-50.83	330.16	8.78	-42.05
CC1(C)CCN(C(=O)NCC2CCCC3=[NH+]C=CN32)C1C(=O)[O-]	REAL300013016234	1	47	0.0	-72.13	351.42	8.56	-63.57
CCOC1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1	REAL300013016235	1	51	0.0	-67.07	403.79	8.37	-58.70
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016236	1	51	0.0	-77.31	372.32	10.88	-66.43
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCC2=CC=CC=C21	REAL300013016237	1	51	0.0	-65.76	387.41	9.62	-56.14
CC(COC1=CC=CC=C1)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016238	1	51	0.0	-73.55	395.12	9.12	-64.43
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016239	1	47	0.0	-67.51	388.68	9.07	-58.44
CC(C)CCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016240	1	49	0.0	-67.16	376.85	8.13	-59.03
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016241	1	48	0.0	-50.68	362.18	9.42	-41.26
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016242	1	48	0.0	-64.78	371.81	6.14	-58.64
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300013016243	1	45	0.0	-69.21	357.58	9.05	-60.16
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCCC2CC21	REAL300013016244	1	48	0.0	-69.46	351.87	8.86	-60.60
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCC2CC21	REAL300013016245	1	45	0.0	-69.15	338.94	7.97	-61.18
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CC2(CCC2)C1	REAL300013016246	1	48	0.0	-73.72	366.32	8.58	-65.14
CN(C(=O)NCC1CCCC2=[NH+]C=CN21)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300013016247	1	50	0.0	-68.53	384.11	11.03	-57.50
O=C([O-])C1CC2(CN1C(=O)NCC1CCCC3=[NH+]C=CN31)CCCCC2	REAL300013016248	1	54	0.0	-51.88	392.93	10.27	-41.61
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCC1	REAL300013016249	1	47	0.0	-62.96	355.83	7.64	-55.32
CO[C@H](C)[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016250	1	44	0.0	-64.18	346.53	5.24	-58.94
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016251	1	44	0.0	-70.90	330.66	7.25	-63.65
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016252	1	47	0.0	-45.60	371.81	10.78	-34.82
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300013016253	1	47	0.0	-50.82	355.05	8.70	-42.12
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016254	1	48	0.0	-70.57	374.16	11.03	-59.54
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016255	1	44	0.0	-73.09	337.46	9.02	-64.07
O=C([O-])C1N(C(=O)NCC2CCCC3=[NH+]C=CN32)CCC1(F)F	REAL300013016256	1	41	0.0	-77.80	326.24	8.02	-69.78
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016257	1	47	0.0	-72.25	381.12	9.15	-63.10
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016258	1	44	0.0	-67.67	365.54	8.02	-59.65
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016259	1	44	0.0	-63.46	344.46	8.58	-54.88
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CC2(CC(F)(F)C2)C1	REAL300013016260	1	48	0.0	-72.57	379.46	8.77	-63.80
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016261	1	52	0.0	-67.96	403.54	10.38	-57.58
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016262	1	44	0.0	-67.67	365.54	8.02	-59.65
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016263	1	48	0.0	-77.55	351.96	9.04	-68.51
COCCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016264	1	47	0.0	-66.25	371.70	5.84	-60.41
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016265	1	46	0.0	-63.60	348.99	8.81	-54.79
CCOCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016266	1	44	0.0	-68.70	350.10	5.27	-63.43
CC(C)(C)CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016267	1	49	0.0	-63.12	366.50	8.41	-54.71
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCCO1	REAL300013016268	1	48	0.0	-70.66	367.02	6.14	-64.52
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CC2=CC=CC=C2C1	REAL300013016269	1	48	0.0	-69.78	370.64	9.26	-60.52
C[C@H]1OCCN(C(=O)NCC2CCCC3=[NH+]C=CN32)[C@@H]1C(=O)[O-]	REAL300013016270	1	45	0.0	-74.83	337.87	7.50	-67.33
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016271	1	47	0.0	-48.64	357.11	8.84	-39.80
N#CCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013016272	1	41	0.0	-68.61	337.14	6.57	-62.04
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C12CC3CC(CC(C3)C1)C2	REAL300013016273	1	58	0.0	-66.85	408.41	10.18	-56.67
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016274	1	50	0.0	-71.90	404.62	9.33	-62.57
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016275	1	44	0.0	-46.60	349.11	9.08	-37.52
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016276	1	55	0.0	-73.76	382.93	9.32	-64.44
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013016277	1	46	0.0	-63.21	386.69	7.64	-55.57
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300013016278	1	48	0.0	-67.97	368.95	7.92	-60.05
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=COC3=CC=C(F)C=C23)CC1	REAL300013016456	0	53	0.0	-63.21	425.52	7.84	-55.37
C[C@@H]1C[C@@H](CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCS1	REAL300013016745	0	57	0.0	-61.72	427.66	8.06	-53.66
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCN2C(=O)NC(C)(C)C2=O)CC1	REAL300013017056	0	58	0.0	-66.38	449.39	3.50	-62.88
COCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=N1	REAL300013017342	0	56	0.0	-65.18	437.03	6.00	-59.18
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(CC3CC3)CCCC2)CC1	REAL300013017629	0	63	0.0	-62.66	461.43	9.89	-52.77
CCC(C)C1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=C1	REAL300013017934	0	62	0.0	-63.24	469.85	10.00	-53.24
COC1=CC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C(C)=N1	REAL300013018814	0	56	0.0	-64.33	435.57	4.88	-59.45
CCC(=O)NCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013019035	0	53	0.0	-64.18	407.16	3.32	-60.86
COC1=CC=CC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1F	REAL300013019302	0	57	0.0	-65.29	447.45	7.54	-57.75
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2CCC[C@H](CF)C2)CC1	REAL300013019587	0	59	0.0	-63.22	439.90	8.54	-54.68
CNC(=O)NCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013019838	0	55	0.0	-64.80	423.22	1.94	-62.86
C=C1CC1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013019993	0	48	0.0	-59.56	371.32	6.31	-53.25
CCC1=NC=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])S1	REAL300013020377	0	52	0.0	-62.84	419.37	6.11	-56.73
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC3(C2)CC(F)(F)C3)CC1	REAL300013020670	0	57	0.0	-63.27	441.59	8.51	-54.76
CCCC(C)(C)CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013020897	0	58	0.0	-58.36	419.16	7.65	-50.71
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCOCC2)CC1	REAL300013021387	0	54	0.0	-58.48	399.16	5.18	-53.30
CC1=NC(C)=C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])N=C1C	REAL300013021634	0	57	0.0	-64.69	437.68	5.34	-59.35
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2C3CCC23)CC1	REAL300013021831	0	51	0.0	-63.02	386.88	7.20	-55.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2COCC3=CC=CC=C32)CC1	REAL300013022067	0	58	0.0	-63.97	438.90	7.35	-56.62
CCC1(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCCCCC1	REAL300013023085	0	65	0.0	-62.33	445.29	9.76	-52.57
COC(CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C(C)C	REAL300013023614	0	56	0.0	-60.05	415.48	5.46	-54.59
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2COC3(CC3)C2)CC1	REAL300013023792	0	52	0.0	-60.86	398.83	5.44	-55.42
CC1=NOC(C)(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300013023985	0	54	0.0	-63.52	410.06	5.29	-58.23
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NOC(C3CCCC3)=C2)CC1	REAL300013024951	0	59	0.0	-62.11	453.61	8.22	-53.89
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2(C(C)(F)F)CC2)CC1	REAL300013025241	0	56	0.0	-63.36	429.88	7.86	-55.50
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC(Cl)=CS2)CC1	REAL300013026579	0	47	0.0	-61.10	398.29	7.01	-54.09
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2C=CCCCC2)CC1	REAL300013027859	0	57	0.0	-57.77	405.79	7.49	-50.28
CC1CCC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])O1	REAL300013028075	0	57	0.0	-65.35	430.44	6.27	-59.08
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CC4CC(CC(C4)O2)C3)CC1	REAL300013028361	0	62	0.0	-66.97	444.67	7.54	-59.43
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CC(C(N)=O)(C2)CO3)CC1	REAL300013028651	0	56	0.0	-61.46	429.73	1.44	-60.02
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC23CCC(CC2)C3)CC1	REAL300013028904	0	60	0.0	-62.30	436.96	8.58	-53.72
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CC(C)(C2)OC3)CC1	REAL300013029230	0	55	0.0	-64.93	416.30	5.70	-59.23
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC(C(C)(C)C)C2)CC1	REAL300013029737	0	62	0.0	-61.53	453.36	8.71	-52.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CC(C2)OC3)CC1	REAL300013029942	0	52	0.0	-63.52	394.57	5.07	-58.45
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1COCCO1	REAL300013030455	0	55	0.0	-64.31	414.57	4.85	-59.46
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2COC(C)(C)C2)CC1	REAL300013031014	0	60	0.0	-59.59	444.79	6.48	-53.11
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC23CCCC2C3(F)F)CC1	REAL300013031562	0	54	0.0	-67.10	415.77	8.01	-59.09
CC(C)CN1C=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300013031850	0	59	0.0	-69.65	456.90	7.50	-62.15
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CC(CC(N)=O)CO2)CC1	REAL300013032147	0	58	0.0	-76.59	443.75	2.09	-74.50
CCC1CCCC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300013032675	0	65	0.0	-62.42	463.05	9.56	-52.86
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2C[C@@H]2C(F)F)CC1	REAL300013032904	0	50	0.0	-65.39	388.84	6.63	-58.76
C[C@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1F	REAL300013033829	0	53	0.0	-63.16	413.13	8.37	-54.79
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2C[C@H](C3=CC=C(C#N)C=C3)C2)CC1	REAL300013034129	0	58	0.0	-64.98	455.81	9.76	-55.22
CC1=CC=CC=C1CCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013034928	0	59	0.0	-63.71	449.53	9.44	-54.27
CC(C)CC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=NO1	REAL300013035216	0	58	0.0	-61.92	448.45	7.60	-54.32
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=NC=CC=C1F	REAL300013036227	0	52	0.0	-66.81	410.71	6.52	-60.29
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(C)CC=CCC2)CC1	REAL300013036449	0	57	0.0	-61.82	417.54	8.20	-53.62
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCC3COCCC3C2)CC1	REAL300013036726	0	64	0.0	-62.74	466.01	7.76	-54.98
CC(C)C[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037067	1	46	0.0	-63.51	355.22	7.34	-56.17
C=CCOCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037068	1	45	0.0	-69.21	363.00	5.84	-63.37
C=CC(C)C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037069	1	44	0.0	-68.67	342.10	6.88	-61.79
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCOCC1	REAL300013037070	1	48	0.0	-62.71	363.65	6.01	-56.70
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=C(F)C(F)=C1	REAL300013037071	1	44	0.0	-62.05	365.41	8.20	-53.85
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=C(Cl)C(F)=C1	REAL300013037072	1	44	0.0	-61.99	375.31	8.65	-53.34
COC1CCN(C(=O)NCC2CCCC3=[NH+]C=CN32)C(C(=O)[O-])C1	REAL300013037073	1	48	0.0	-77.56	356.09	7.99	-69.57
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCOC1	REAL300013037074	1	48	0.0	-65.44	360.41	5.90	-59.54
CC1CCN(C(=O)NCC2CCCC3=[NH+]C=CN32)C(C(=O)[O-])C1	REAL300013037075	1	47	0.0	-76.77	339.37	9.24	-67.53
CC1=CC(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])=CC=C1F	REAL300013037076	1	47	0.0	-64.35	379.16	8.86	-55.49
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=C2OCCC2=C1	REAL300013037077	1	49	0.0	-67.47	388.35	8.00	-59.47
CC1=CC(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])=CC(C)=C1	REAL300013037078	1	50	0.0	-65.61	395.48	9.39	-56.22
CC1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1C	REAL300013037079	1	50	0.0	-65.61	391.07	9.27	-56.34
COC1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1Cl	REAL300013037080	1	48	0.0	-65.16	398.23	7.94	-57.22
CC1=CC=CC(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])=C1C	REAL300013037081	1	50	0.0	-68.23	385.46	9.20	-59.03
COC1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1F	REAL300013037082	1	48	0.0	-65.45	388.43	7.45	-58.00
CC(C(=O)[O-])N(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CCC1	REAL300013037083	1	47	0.0	-49.14	348.27	8.87	-40.27
CCCN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(COC)C(=O)[O-]	REAL300013037084	1	50	0.0	-66.76	368.56	8.03	-58.73
CCCN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(CC)C(=O)[O-]	REAL300013037085	1	49	0.0	-65.01	359.11	9.44	-55.57
O=C([O-])C1CCCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037086	1	44	0.0	-77.06	326.61	9.19	-67.87
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=C(Cl)C=C1	REAL300013037087	1	44	0.0	-64.26	369.43	8.59	-55.67
O=C([O-])C1CSCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037088	1	42	0.0	-74.86	326.76	9.12	-65.74
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCCCC1	REAL300013037089	1	47	0.0	-67.62	346.04	8.22	-59.40
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCCC1	REAL300013037090	1	44	0.0	-67.74	331.53	7.12	-60.62
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCCCCC1	REAL300013037091	1	50	0.0	-73.46	351.71	8.89	-64.57
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037092	1	47	0.0	-64.98	374.90	9.01	-55.97
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037093	1	47	0.0	-45.60	371.81	10.78	-34.82
O=C([O-])[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC=C1	REAL300013037094	1	44	0.0	-67.39	352.46	8.16	-59.23
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC=C1	REAL300013037095	1	44	0.0	-67.42	352.44	8.16	-59.26
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037096	1	47	0.0	-64.98	374.90	9.01	-55.97
CCC(C)C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037097	1	46	0.0	-67.20	349.64	7.23	-59.97
O=C([O-])C1CCCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037098	1	44	0.0	-77.06	326.61	9.19	-67.87
CCCC(C)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037099	1	46	0.0	-67.58	342.16	7.14	-60.44
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037100	1	46	0.0	-45.42	349.01	9.06	-36.36
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037101	1	48	0.0	-76.21	363.25	11.02	-65.19
CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)(C(=O)[O-])C1CC1	REAL300013037102	1	44	0.0	-64.78	330.10	7.13	-57.65
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CS1	REAL300013037103	1	41	0.0	-62.12	343.68	7.19	-54.93
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCCCC1	REAL300013037104	1	47	0.0	-67.62	346.04	8.22	-59.40
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037105	1	47	0.0	-43.53	388.54	11.30	-32.23
O=C([O-])[C@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037106	1	51	0.0	-65.70	404.00	9.08	-56.62
CC[C@H](C)[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037107	1	46	0.0	-62.97	346.11	6.94	-56.03
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCCC1	REAL300013037108	1	44	0.0	-67.74	331.53	7.12	-60.62
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037109	1	47	0.0	-43.71	378.22	10.85	-32.86
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CC2=CC=CC=C2C1	REAL300013037110	1	48	0.0	-69.78	370.64	9.26	-60.52
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC(F)=CC=C1F	REAL300013037111	1	44	0.0	-67.80	363.55	8.24	-59.56
CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)(C(=O)[O-])C1=CC=CC=C1	REAL300013037112	1	47	0.0	-68.68	360.49	8.85	-59.83
CCCCCCC(C)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037113	1	55	0.0	-67.83	406.66	9.47	-58.36
CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013037114	1	50	0.0	-62.57	385.49	10.98	-51.59
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=C(Cl)C=C1	REAL300013037115	1	44	0.0	-64.26	369.43	8.59	-55.67
O=C([O-])C1COCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037116	1	42	0.0	-73.04	317.69	6.50	-66.54
CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C1(C(=O)[O-])CCCCC1	REAL300013037117	1	50	0.0	-74.56	355.30	9.53	-65.03
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037118	1	50	0.0	-46.50	394.21	11.55	-34.95
CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(C(=O)[O-])C1=CC=CC=C1	REAL300013037119	1	47	0.0	-61.70	358.83	9.66	-52.04
COCCN(CC(=O)[O-])C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037120	1	44	0.0	-46.25	344.23	6.96	-39.29
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCC2=CC=CC=C21	REAL300013037121	1	48	0.0	-69.66	367.38	9.14	-60.52
O=C([O-])[C@H]1CCCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037122	1	44	0.0	-75.82	325.96	8.96	-66.86
CC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037123	1	44	0.0	-69.96	332.36	8.46	-61.50
O=C([O-])[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037124	1	51	0.0	-77.37	408.85	8.97	-68.40
O=C([O-])C1CCCCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037125	1	47	0.0	-75.24	339.10	9.68	-65.56
CCCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037126	1	46	0.0	-67.40	359.52	7.55	-59.85
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037127	1	50	0.0	-46.50	394.21	11.55	-34.95
C[C@@]1(C(=O)[O-])CCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037128	1	44	0.0	-69.89	332.34	8.46	-61.43
O=C([O-])CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCC1	REAL300013037129	1	47	0.0	-52.98	349.37	9.33	-43.65
CCCCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037130	1	49	0.0	-66.90	380.78	8.39	-58.51
CCC1CCC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])CC1	REAL300013037131	1	53	0.0	-72.37	385.12	9.46	-62.91
O=C([O-])CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CCOCC1	REAL300013037132	1	48	0.0	-45.08	357.59	7.68	-37.40
CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C1(C(=O)[O-])CCCC1	REAL300013037133	1	47	0.0	-75.60	342.16	9.00	-66.60
CC(C(=O)[O-])N(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CC1	REAL300013037134	1	44	0.0	-49.36	333.83	8.45	-40.91
CCC(C(=O)[O-])N(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CC1	REAL300013037135	1	47	0.0	-55.80	354.29	9.68	-46.12
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC=C1Cl	REAL300013037136	1	44	0.0	-65.92	362.82	8.49	-57.43
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC=C1F	REAL300013037137	1	44	0.0	-70.71	357.10	8.16	-62.55
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037138	1	48	0.0	-48.58	367.61	10.50	-38.08
O=C([O-])C(CC1=CC=CC=C1Cl)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037139	1	47	0.0	-64.31	385.40	9.06	-55.25
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037140	1	53	0.0	-73.81	418.48	11.14	-62.67
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037141	1	53	0.0	-63.24	396.02	9.22	-54.02
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037142	1	50	0.0	-45.02	376.69	11.34	-33.68
CC1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1	REAL300013037143	1	47	0.0	-64.89	374.07	8.75	-56.14
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037144	1	40	0.0	-60.95	332.46	6.69	-54.26
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC2=CC=CC=C2C=C1	REAL300013037145	1	50	0.0	-68.84	398.40	10.42	-58.42
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCSCC1	REAL300013037146	1	45	0.0	-67.81	343.74	7.91	-59.90
COCC(C)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037147	1	44	0.0	-71.61	338.91	5.66	-65.95
CCOCC(C(=O)[O-])N(C)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037148	1	47	0.0	-64.33	358.90	7.31	-57.02
CC(C)CN(CC(=O)[O-])C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037149	1	46	0.0	-45.42	349.01	9.06	-36.36
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037150	1	53	0.0	-50.08	392.29	11.42	-38.66
O=C([O-])CN(CCC(F)(F)F)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037151	1	43	0.0	-45.27	352.44	8.91	-36.36
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCOC1	REAL300013037152	1	42	0.0	-63.92	322.17	4.51	-59.41
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCCC1	REAL300013037153	1	50	0.0	-68.90	369.59	8.29	-60.61
CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(COC1CCC1)C(=O)[O-]	REAL300013037154	1	51	0.0	-61.03	385.23	8.76	-52.27
O=C([O-])[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037155	1	51	0.0	-74.75	391.97	12.00	-62.75
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCOCC1	REAL300013037156	1	45	0.0	-71.14	337.47	5.72	-65.42
C=CCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037157	1	44	0.0	-67.25	350.83	7.33	-59.92
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037158	1	50	0.0	-41.92	378.04	10.62	-31.30
CCC(CC)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037159	1	46	0.0	-64.87	337.34	7.27	-57.60
COC1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1	REAL300013037160	1	48	0.0	-67.17	381.96	7.46	-59.71
CCC(C)N(CC(=O)[O-])C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037161	1	46	0.0	-43.16	344.82	9.27	-33.89
CCC(COC)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037162	1	47	0.0	-69.43	355.58	6.57	-62.86
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037163	1	50	0.0	-64.83	379.79	8.16	-56.67
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCS(=O)(=O)CC1	REAL300013037164	1	47	0.0	-72.76	362.49	4.21	-68.55
O=C([O-])C(CC1CC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037165	1	44	0.0	-63.15	348.13	7.56	-55.59
COCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037166	1	44	0.0	-67.31	349.96	5.13	-62.18
CC(C)CC(C(=O)[O-])N(C)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037167	1	49	0.0	-63.71	365.35	9.38	-54.33
O=C([O-])C(CC(F)F)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037168	1	40	0.0	-66.61	328.63	6.35	-60.26
CCCC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037169	1	50	0.0	-70.76	369.56	10.36	-60.40
CCCN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(C)C(=O)[O-]	REAL300013037170	1	46	0.0	-69.54	345.41	9.10	-60.44
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037171	1	50	0.0	-50.48	380.84	11.46	-39.02
CCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013037172	1	50	0.0	-66.74	394.19	10.27	-56.47
CCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)(C(=O)[O-])C1=CC=CC=C1	REAL300013037173	1	50	0.0	-69.82	377.49	9.75	-60.07
COC1CCCC(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C1	REAL300013037174	1	54	0.0	-67.76	407.65	7.46	-60.30
COC1(CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])CCC1	REAL300013037175	1	51	0.0	-66.87	386.88	7.11	-59.76
O=C([O-])CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CCOCC1	REAL300013037176	1	48	0.0	-45.08	357.59	7.68	-37.40
O=C([O-])CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCCC1	REAL300013037177	1	50	0.0	-53.33	366.74	10.05	-43.28
C[C@H]1CC[C@@](NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])CC1	REAL300013037178	1	50	0.0	-72.55	359.87	8.60	-63.95
COC1=CC=CC(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])=C1	REAL300013037179	1	48	0.0	-69.80	381.96	7.45	-62.35
CC(CCF)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037180	1	43	0.0	-64.33	327.25	6.52	-57.81
O=C([O-])C1C2=C(CCN1C(=O)NCC1CCCC3=[NH+]C=CN31)OC=C2	REAL300013037181	1	45	0.0	-57.31	348.98	8.64	-48.67
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037182	1	41	0.0	-65.25	330.31	7.66	-57.59
COC1=CC=CC([C@H](NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])=C1	REAL300013037183	1	48	0.0	-66.81	381.56	7.39	-59.42
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300013037184	1	50	0.0	-74.23	379.92	9.48	-64.75
COC1=CC=CC(CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])=C1	REAL300013037185	1	51	0.0	-63.71	404.40	8.32	-55.39
CC1(C)CCCC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])C1	REAL300013037186	1	53	0.0	-68.81	373.96	9.09	-59.72
O=C([O-])C12CC(C1)CN2C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037187	1	42	0.0	-78.94	322.58	8.55	-70.39
CC(CC1=CC=C(Cl)C=C1)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037188	1	50	0.0	-63.16	394.82	9.73	-53.43
CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300013037189	1	49	0.0	-60.69	388.70	9.53	-51.16
COC1CN(C(=O)NCC2CCCC3=[NH+]C=CN32)C(C)(C(=O)[O-])C1	REAL300013037190	1	48	0.0	-69.56	365.60	7.42	-62.14
O=C([O-])C(CC1CCCOC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037191	1	51	0.0	-62.49	383.45	7.59	-54.90
CC(C)(C)[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037192	1	46	0.0	-64.50	347.32	7.11	-57.39
C=C(Cl)CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037193	1	41	0.0	-62.42	344.75	7.19	-55.23
C=C(C)CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037194	1	44	0.0	-68.01	349.42	7.38	-60.63
O=C([O-])C12CCC(CC1)N2C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037195	1	45	0.0	-78.57	335.09	9.37	-69.20
CC(CC1=CC=C(F)C=C1)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037196	1	50	0.0	-63.78	384.49	9.28	-54.50
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037197	1	41	0.0	-64.17	328.26	8.08	-56.09
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037198	1	41	0.0	-67.43	321.71	8.01	-59.42
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300013037199	1	42	0.0	-74.51	328.69	7.97	-66.54
O=C([O-])C(CC1CCOCC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037200	1	51	0.0	-64.19	387.15	6.83	-57.36
CC(C)C[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037201	1	46	0.0	-63.51	355.22	7.34	-56.17
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCOCC1	REAL300013037202	1	48	0.0	-62.71	363.65	6.01	-56.70
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC=C1	REAL300013037203	1	44	0.0	-67.42	352.44	8.16	-59.26
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC(C(F)(F)F)=C1	REAL300013037204	1	47	0.0	-64.26	391.40	9.07	-55.19
O=C([O-])C(CC1CC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037205	1	44	0.0	-63.15	348.13	7.56	-55.59
O=C([O-])C(CC1=CN=CS1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037206	1	43	0.0	-61.64	360.68	6.20	-55.44
CC(C)CCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037207	1	52	0.0	-67.01	398.34	8.91	-58.10
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037208	1	50	0.0	-66.97	404.58	9.48	-57.49
O=C([O-])C(CC1CCCO1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037209	1	48	0.0	-71.91	372.71	6.39	-65.52
CSCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037210	1	41	0.0	-64.18	340.22	6.35	-57.83
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037211	1	47	0.0	-67.34	381.12	9.15	-58.19
CCC(C)CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037212	1	49	0.0	-67.51	373.21	8.02	-59.49
C=CCCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037213	1	47	0.0	-67.16	372.09	8.17	-58.99
O=C([O-])[C@H](CC1=CC=C(F)C=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037214	1	47	0.0	-62.51	380.46	9.10	-53.41
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC2=CC=CC=C21	REAL300013037215	1	50	0.0	-71.09	392.56	10.26	-60.83
O=C([O-])C1CSCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037216	1	42	0.0	-74.86	326.76	9.12	-65.74
CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)(C(=O)[O-])C1=CC=CC=C1	REAL300013037217	1	47	0.0	-68.68	360.49	8.85	-59.83
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037218	1	45	0.0	-79.19	334.57	9.39	-69.80
CCN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(C)(C)C(=O)[O-]	REAL300013037219	1	46	0.0	-71.65	336.29	8.66	-62.99
CCCN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(C)C(=O)[O-]	REAL300013037220	1	46	0.0	-69.54	345.41	9.10	-60.44
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037221	1	40	0.0	-58.93	327.69	8.38	-50.55
O=C([O-])CN(CC(F)(F)F)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037222	1	40	0.0	-58.93	327.69	8.38	-50.55
O=C([O-])CN(CCN1CCOCC1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037223	1	53	0.0	-46.27	401.15	6.25	-40.02
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037224	1	42	0.0	-76.86	326.58	4.19	-72.67
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2CCCC3=NC=CN32)CC1	REAL300013037225	0	57	0.0	-69.42	425.87	8.03	-61.39
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037226	1	48	0.0	-50.16	368.65	11.01	-39.15
C[C@H]1CC2=CC=CC=C2N(C(=O)NCC2CCCC3=[NH+]C=CN32)[C@H]1C(=O)[O-]	REAL300013037227	1	51	0.0	-57.13	379.30	11.19	-45.94
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037228	1	49	0.0	-61.04	369.91	9.09	-51.95
O=C([O-])[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC=C1	REAL300013037229	1	44	0.0	-67.39	352.46	8.16	-59.23
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=C(C(F)(F)F)C=C1	REAL300013037230	1	47	0.0	-60.50	391.15	9.16	-51.34
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037231	1	49	0.0	-69.27	392.57	8.09	-61.18
C=CCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037232	1	44	0.0	-67.25	350.83	7.33	-59.92
O=C([O-])C(CC1=NC=CS1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037233	1	43	0.0	-71.41	361.47	6.01	-65.40
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037234	1	44	0.0	-60.01	380.99	7.82	-52.19
O=C([O-])C1CS(=O)(=O)CCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037235	1	44	0.0	-81.87	345.29	5.45	-76.42
CN1CC(C(=O)[O-])N(C(=O)NCC2CCCC3=[NH+]C=CN32)CC1=O	REAL300013037236	1	45	0.0	-67.53	343.19	7.18	-60.35
C[C@]1(C(=O)[O-])CCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037237	1	44	0.0	-74.54	331.40	8.43	-66.11
O=C([O-])[C@@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CC=CC=C1	REAL300013037238	1	44	0.0	-64.17	352.05	8.10	-56.07
CC(CN1C=CC=N1)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037239	1	47	0.0	-70.39	362.14	7.41	-62.98
O=C([O-])CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCC1	REAL300013037240	1	47	0.0	-52.98	349.37	9.33	-43.65
CC[C@H](C)[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037241	1	46	0.0	-62.97	346.11	6.94	-56.03
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CC(CO)C1	REAL300013037242	1	45	0.0	-72.13	349.93	4.00	-68.13
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037243	1	53	0.0	-65.12	400.00	7.31	-57.81
CC1CCC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])C1	REAL300013037244	1	47	0.0	-72.05	352.59	7.74	-64.31
CC1(C)CCCC1(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037245	1	50	0.0	-68.30	360.39	8.34	-59.96
COCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037246	1	44	0.0	-67.31	349.96	5.13	-62.18
CN(C(=O)NCC1CCCC2=[NH+]C=CN21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013037247	1	50	0.0	-62.57	385.49	10.98	-51.59
CC1(C)CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])C1	REAL300013037248	1	47	0.0	-73.42	354.08	8.43	-64.99
CC1CCC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])C2=CC=CC=C21	REAL300013037249	1	54	0.0	-69.72	401.70	10.46	-59.26
CC1(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])CC1	REAL300013037250	1	44	0.0	-63.87	345.25	7.13	-56.74
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037251	1	53	0.0	-68.87	400.41	7.29	-61.58
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037252	1	42	0.0	-76.76	327.22	4.39	-72.37
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037253	1	52	0.0	-49.79	394.85	11.64	-38.15
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCOC1	REAL300013037254	1	45	0.0	-65.77	348.77	5.06	-60.71
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037255	1	45	0.0	-75.04	336.67	9.02	-66.02
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1=CNC2=CC=CC=C12	REAL300013037256	1	48	0.0	-76.26	384.61	8.14	-68.12
O=C([O-])C12COC(CN1C(=O)NCC1CCCC3=[NH+]C=CN31)C2	REAL300013037257	1	43	0.0	-74.51	329.92	6.74	-67.77
CC1CCC(C(=O)[O-])N(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300013037258	1	47	0.0	-77.65	342.88	10.07	-67.58
CC(C1=CC=CC=C1)C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037259	1	50	0.0	-64.30	391.68	9.43	-54.87
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037260	1	51	0.0	-63.25	389.11	9.21	-54.04
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCC1	REAL300013037261	1	44	0.0	-64.16	343.28	7.05	-57.11
CC1(C)CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])CC(C)(C)O1	REAL300013037262	1	57	0.0	-66.26	409.72	8.77	-57.49
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCCC1	REAL300013037263	1	50	0.0	-68.90	369.59	8.29	-60.61
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCC1	REAL300013037264	1	44	0.0	-64.16	343.28	7.05	-57.11
CC1CCN(C(=O)NCC2CCCC3=[NH+]C=CN32)C1C(=O)[O-]	REAL300013037265	1	44	0.0	-70.59	328.30	8.43	-62.16
O=C([O-])C(CC1CCCCO1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037266	1	51	0.0	-67.43	388.51	7.80	-59.63
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037267	1	51	0.0	-40.76	369.88	9.89	-30.87
CC1(C)CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])CCO1	REAL300013037268	1	51	0.0	-67.91	366.59	7.02	-60.89
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037269	1	50	0.0	-70.21	413.14	10.28	-59.93
CC1=CC=CC2=C1CCN(C(=O)NCC1CCCC3=[NH+]C=CN31)C2C(=O)[O-]	REAL300013037270	1	51	0.0	-48.95	385.19	11.04	-37.91
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037271	1	45	0.0	-51.13	338.01	8.93	-42.20
O=C([O-])C(CC1CC=CCC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037272	1	51	0.0	-63.25	389.11	9.21	-54.04
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037273	1	47	0.0	-72.25	381.12	9.15	-63.10
COC1CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])C1	REAL300013037274	1	45	0.0	-65.40	349.26	5.58	-59.82
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CC(F)(F)C1	REAL300013037275	1	41	0.0	-67.78	326.25	6.74	-61.04
CO[C@H]1C[C@](NC(=O)NCC2CCCC3=[NH+]C=CN32)(C(=O)[O-])C1	REAL300013037276	1	45	0.0	-67.90	348.99	5.59	-62.31
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1(C(F)(F)F)CC1	REAL300013037277	1	44	0.0	-61.10	357.78	7.49	-53.61
CCC1(C(=O)[O-])CCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037278	1	47	0.0	-77.43	345.50	9.70	-67.73
O=C([O-])C(CC(F)(F)F)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037279	1	40	0.0	-60.95	332.46	6.69	-54.26
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037280	1	48	0.0	-64.78	371.81	6.14	-58.64
O=C([O-])C(CC1=CC=CS1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037281	1	44	0.0	-66.72	366.90	8.08	-58.64
COCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)(C(=O)[O-])C1=CC=CC=C1	REAL300013037282	1	51	0.0	-67.53	393.69	8.08	-59.45
CC(C)C(C)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037283	1	46	0.0	-64.38	335.58	7.00	-57.38
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037284	1	42	0.0	-76.89	321.97	9.09	-67.80
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037285	1	45	0.0	-76.48	338.11	8.67	-67.81
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037286	1	50	0.0	-50.48	380.84	11.46	-39.02
O=C([O-])C(CC1CCCCC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037287	1	53	0.0	-63.24	396.02	9.22	-54.02
O=C([O-])[C@H](CCC1=CC=CC=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037288	1	50	0.0	-64.51	397.93	9.79	-54.72
O=C([O-])[C@@H](CCC1=CC=CC=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037289	1	50	0.0	-68.05	397.69	9.85	-58.20
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CC2CCC1C2	REAL300013037290	1	51	0.0	-65.43	375.98	8.74	-56.69
O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037291	1	53	0.0	-68.27	396.66	9.28	-58.99
O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037292	1	53	0.0	-63.91	396.86	9.21	-54.70
O=C([O-])C1CC2(CCCC2)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037293	1	51	0.0	-39.22	370.98	9.56	-29.66
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037294	1	51	0.0	-72.63	371.84	9.65	-62.98
COC1=CC=C(CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1	REAL300013037295	1	51	0.0	-64.60	404.39	8.31	-56.29
C=CCSCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037296	1	45	0.0	-63.76	374.26	7.88	-55.88
N#CC1=CC=C(CC(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1	REAL300013037297	1	48	0.0	-64.57	395.72	9.41	-55.16
O=C([O-])C(CC1=CNC2=CC=CC(F)=C12)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037298	1	51	0.0	-83.96	414.35	9.07	-74.89
CCC(C(=O)[O-])N(CC)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037299	1	46	0.0	-64.75	336.84	8.67	-56.08
COC1(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])CCC1	REAL300013037300	1	48	0.0	-60.21	364.12	5.68	-54.53
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCC(C(F)F)CC1	REAL300013037301	1	50	0.0	-68.93	377.65	9.00	-59.93
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCC2=CC=CC=C2C1	REAL300013037302	1	51	0.0	-68.17	384.00	10.14	-58.03
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CC(C(F)F)C1	REAL300013037303	1	44	0.0	-75.51	349.51	7.56	-67.95
CC(C)(C)C1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1	REAL300013037305	1	56	0.0	-67.42	428.91	10.40	-57.02
CC(C)C1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1	REAL300013037306	1	53	0.0	-67.04	412.66	10.09	-56.95
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037307	1	41	0.0	-67.43	321.71	8.01	-59.42
O=C([O-])C1C2C=CC(C2)N1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037308	1	43	0.0	-50.83	330.16	8.78	-42.05
CC1(C)CCN(C(=O)NCC2CCCC3=[NH+]C=CN32)C1C(=O)[O-]	REAL300013037309	1	47	0.0	-72.13	351.42	8.56	-63.57
CCOC1=CC=C(C(NC(=O)NCC2CCCC3=[NH+]C=CN32)C(=O)[O-])C=C1	REAL300013037310	1	51	0.0	-67.07	403.79	8.37	-58.70
O=C([O-])C1CCC2(CCC2)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037311	1	51	0.0	-77.31	372.32	10.88	-66.43
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCC2=CC=CC=C21	REAL300013037312	1	51	0.0	-65.76	387.41	9.62	-56.14
CC(COC1=CC=CC=C1)(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037313	1	51	0.0	-73.55	395.12	9.12	-64.43
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037314	1	47	0.0	-67.51	388.68	9.07	-58.44
CC(C)CCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037315	1	49	0.0	-67.16	376.85	8.13	-59.03
O=C([O-])C1CC2(CCC2)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037316	1	48	0.0	-50.68	362.18	9.42	-41.26
O=C([O-])C(CC1CCOC1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037317	1	48	0.0	-64.78	371.81	6.14	-58.64
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300013037318	1	45	0.0	-69.21	357.58	9.05	-60.16
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCCC2CC21	REAL300013037319	1	48	0.0	-69.46	351.87	8.86	-60.60
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CCC2CC21	REAL300013037320	1	45	0.0	-69.15	338.94	7.97	-61.18
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CC2(CCC2)C1	REAL300013037321	1	48	0.0	-73.72	366.32	8.58	-65.14
CN(C(=O)NCC1CCCC2=[NH+]C=CN21)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300013037322	1	50	0.0	-68.53	384.11	11.03	-57.50
O=C([O-])C1CC2(CN1C(=O)NCC1CCCC3=[NH+]C=CN31)CCCCC2	REAL300013037323	1	54	0.0	-51.88	392.93	10.27	-41.61
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCC1	REAL300013037324	1	47	0.0	-62.96	355.83	7.64	-55.32
CO[C@H](C)[C@H](NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037325	1	44	0.0	-64.18	346.53	5.24	-58.94
CC1[C@@H](C)[C@@]1(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037326	1	44	0.0	-70.90	330.66	7.25	-63.65
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037327	1	47	0.0	-45.60	371.81	10.78	-34.82
CC1(C)CC(C(=O)[O-])N(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300013037328	1	47	0.0	-50.82	355.05	8.70	-42.12
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037329	1	48	0.0	-70.57	374.16	11.03	-59.54
O=C([O-])C1CC(F)(F)CCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037330	1	44	0.0	-73.09	337.46	9.02	-64.07
O=C([O-])C1N(C(=O)NCC2CCCC3=[NH+]C=CN32)CCC1(F)F	REAL300013037331	1	41	0.0	-77.80	326.24	8.02	-69.78
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037332	1	47	0.0	-72.25	381.12	9.15	-63.10
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037333	1	44	0.0	-67.67	365.54	8.02	-59.65
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037334	1	44	0.0	-63.46	344.46	8.58	-54.88
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CC2(CC(F)(F)C2)C1	REAL300013037335	1	48	0.0	-72.57	379.46	8.77	-63.80
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037336	1	52	0.0	-67.96	403.54	10.38	-57.58
O=C([O-])C(CC1=CSC=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037337	1	44	0.0	-67.67	365.54	8.02	-59.65
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037338	1	48	0.0	-77.55	351.96	9.04	-68.51
COCCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037339	1	47	0.0	-66.25	371.70	5.84	-60.41
CCCC(C(=O)[O-])N(C)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037340	1	46	0.0	-63.60	348.99	8.81	-54.79
CCOCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037341	1	44	0.0	-68.70	350.10	5.27	-63.43
CC(C)(C)CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037342	1	49	0.0	-63.12	366.50	8.41	-54.71
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C1CCCCO1	REAL300013037343	1	48	0.0	-70.66	367.02	6.14	-64.52
O=C([O-])C1(NC(=O)NCC2CCCC3=[NH+]C=CN32)CC2=CC=CC=C2C1	REAL300013037344	1	48	0.0	-69.78	370.64	9.26	-60.52
C[C@H]1OCCN(C(=O)NCC2CCCC3=[NH+]C=CN32)[C@@H]1C(=O)[O-]	REAL300013037345	1	45	0.0	-74.83	337.87	7.50	-67.33
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037346	1	47	0.0	-48.64	357.11	8.84	-39.80
N#CCCC(NC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013037347	1	41	0.0	-68.61	337.14	6.57	-62.04
O=C([O-])C(NC(=O)NCC1CCCC2=[NH+]C=CN21)C12CC3CC(CC(C3)C1)C2	REAL300013037348	1	58	0.0	-66.85	408.41	10.18	-56.67
O=C([O-])C(CC1=COC2=CC=CC=C12)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037349	1	50	0.0	-71.90	404.62	9.33	-62.57
O=C([O-])CN(CC1=CC=CO1)C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037350	1	44	0.0	-46.60	349.11	9.08	-37.52
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037351	1	55	0.0	-73.76	382.93	9.32	-64.44
O=C([O-])C(CC1=CC=C(Cl)N=C1)NC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013037352	1	46	0.0	-63.21	386.69	7.64	-55.57
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300013037353	1	48	0.0	-67.97	368.95	7.92	-60.05
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=CC(C(C)(F)F)=N2)CC1	REAL300013037646	0	55	0.0	-61.90	440.29	7.34	-54.56
CN(C)C(=O)OCCCNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013037931	0	57	0.0	-63.26	439.56	5.20	-58.06
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC[C@@H]2C[C@H]2C(F)F)CC1	REAL300013038441	0	50	0.0	-63.42	395.49	6.87	-56.55
CC1CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CCS1	REAL300013038975	0	57	0.0	-58.45	428.63	8.02	-50.43
CN1N=CC2=C1CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])CC2	REAL300013039261	0	57	0.0	-64.23	433.39	6.85	-57.38
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC(=O)N3N=CC=C3N2)CC1	REAL300013039567	0	53	0.0	-67.73	422.95	5.06	-62.67
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2C[C@@H](CF)C2)CC1	REAL300013039778	0	50	0.0	-63.84	385.49	6.59	-57.25
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCC2=CC=NC=C2F)CC1	REAL300013039972	0	52	0.0	-62.43	408.11	6.24	-56.19
CC1=CN=C(F)C(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300013040574	0	52	0.0	-63.44	413.23	6.20	-57.24
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3(C2)CCCCC3)CC1	REAL300013041144	0	63	0.0	-62.52	451.34	9.24	-53.28
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3(C2)CC(C(N)=O)C3)CC1	REAL300013041430	0	58	0.0	-65.29	442.85	4.18	-61.11
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1CC2CCC1C2	REAL300013041716	0	63	0.0	-62.89	446.67	9.26	-53.63
CC(C)N1C=NC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C1	REAL300013041970	0	56	0.0	-65.15	434.68	7.98	-57.17
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2C[C@@H]3CSC[C@H]3C2)CC1	REAL300013042232	0	55	0.0	-63.82	420.17	7.96	-55.86
CC(C)C[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042654	0	57	0.0	-68.32	428.77	9.39	-58.93
CC(C)C[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042654	1	57	0.0	-69.48	424.23	9.42	-60.06
C=CCOCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042655	0	56	0.0	-67.87	436.83	7.86	-60.01
C=CCOCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042655	1	56	0.0	-70.19	436.92	7.87	-62.32
C=CC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042656	0	55	0.0	-66.38	415.14	8.94	-57.44
C=CC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042656	1	55	0.0	-69.38	416.00	8.91	-60.47
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042657	0	59	0.0	-69.67	434.88	7.81	-61.86
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042657	1	59	0.0	-71.02	434.28	7.91	-63.11
COC1CCN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C(C(=O)[O-])C1	REAL300013042658	0	59	0.0	-74.80	432.50	9.96	-64.84
COC1CCN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C(C(=O)[O-])C1	REAL300013042658	1	59	0.0	-74.36	432.52	9.87	-64.49
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042659	0	59	0.0	-67.58	435.37	7.84	-59.74
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCOC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042659	1	59	0.0	-64.12	429.39	8.02	-56.10
CC1CCN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C(C(=O)[O-])C1	REAL300013042660	0	58	0.0	-76.42	416.75	11.87	-64.55
CC1CCN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C(C(=O)[O-])C1	REAL300013042660	1	58	0.0	-73.51	420.96	11.49	-62.02
CCCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042661	0	54	0.0	-52.32	409.78	10.60	-41.72
CCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042661	1	54	0.0	-55.70	404.95	10.68	-45.02
CC(C(=O)[O-])N(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C1CCC1	REAL300013042662	0	58	0.0	-68.92	421.30	11.34	-57.58
CC(C(=O)[O-])N(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C1CCC1	REAL300013042662	1	58	0.0	-56.85	423.49	11.07	-45.78
CCCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(COC)C(=O)[O-]	REAL300013042663	0	61	0.0	-69.24	452.33	11.44	-57.80
CCCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(COC)C(=O)[O-]	REAL300013042663	1	61	0.0	-65.29	443.47	10.34	-54.95
CCCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(CC)C(=O)[O-]	REAL300013042664	0	60	0.0	-66.27	436.01	11.46	-54.81
CCCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(CC)C(=O)[O-]	REAL300013042664	1	60	0.0	-63.62	436.14	11.45	-52.17
CC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042665	0	54	0.0	-65.19	405.47	8.63	-56.56
CC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042665	1	54	0.0	-64.97	400.65	8.73	-56.24
CC1(C)CC(NC(=O)N2CCCCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042666	0	55	0.0	-76.24	395.92	11.27	-64.97
CC1(C)CC(NC(=O)N2CCCCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042666	1	55	0.0	-74.33	400.19	10.95	-63.38
CC1(C)CC(NC(=O)N2CCSCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042667	0	53	0.0	-73.04	395.64	11.01	-62.03
CC1(C)CC(NC(=O)N2CCSCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042667	1	53	0.0	-74.42	403.68	11.22	-63.20
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042668	0	58	0.0	-70.03	418.59	10.20	-59.83
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042668	1	58	0.0	-68.61	423.20	10.39	-58.22
CC1(C)CC(NC(=O)N2CCCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042669	0	52	0.0	-71.74	385.39	9.63	-62.11
CC1(C)CC(NC(=O)N2CCCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042669	1	52	0.0	-73.00	388.60	9.51	-63.49
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042670	0	55	0.0	-70.06	403.88	9.10	-60.96
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042670	1	55	0.0	-68.88	400.45	9.25	-59.63
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042671	0	61	0.0	-70.88	424.04	10.87	-60.01
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042671	1	61	0.0	-71.99	425.70	10.88	-61.11
CC1(C)CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042672	0	58	0.0	-67.62	448.75	11.04	-56.58
CC1(C)CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042672	1	58	0.0	-69.20	448.62	11.11	-58.09
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042673	0	58	0.0	-49.23	442.47	12.93	-36.30
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013042673	1	58	0.0	-55.30	442.44	12.93	-42.37
CC1(C)CC(NC(=O)NCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042674	0	45	0.0	-58.68	347.70	6.18	-52.50
CC1(C)CC(NC(=O)NCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042674	1	45	0.0	-58.58	342.92	6.27	-52.31
CC1(C)CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042675	0	55	0.0	-67.51	426.49	10.09	-57.42
CC1(C)CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013042675	1	55	0.0	-67.34	421.71	10.19	-57.15
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042676	0	55	0.0	-69.11	426.53	10.10	-59.01
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013042676	1	55	0.0	-67.26	426.56	10.10	-57.16
CCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042677	0	51	0.0	-68.41	390.34	8.03	-60.38
CCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042677	1	51	0.0	-67.77	390.19	8.10	-59.67
CC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042678	0	54	0.0	-65.19	405.47	8.63	-56.56
CC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042678	1	54	0.0	-64.97	400.65	8.73	-56.24
CN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042679	0	48	0.0	-66.42	365.19	8.82	-57.60
CN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042679	1	48	0.0	-65.35	366.55	8.85	-56.50
CC1(C)CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042680	0	58	0.0	-67.62	448.75	11.04	-56.58
CC1(C)CC(NC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042680	1	58	0.0	-69.20	448.62	11.11	-58.09
CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042681	0	48	0.0	-59.72	368.49	7.00	-52.72
CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042681	1	48	0.0	-58.76	368.61	7.01	-51.75
CCC(C)C(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042682	0	57	0.0	-65.64	423.46	9.26	-56.38
CCC(C)C(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042682	1	57	0.0	-68.28	420.37	9.07	-59.21
CN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042683	0	48	0.0	-66.42	365.19	8.82	-57.60
CN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042683	1	48	0.0	-65.35	366.55	8.85	-56.50
CC1(C)CC(NC(=O)N2CCCCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042684	0	55	0.0	-76.24	395.92	11.27	-64.97
CC1(C)CC(NC(=O)N2CCCCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042684	1	55	0.0	-74.33	400.19	10.95	-63.38
CCCC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042685	0	57	0.0	-67.42	415.94	9.14	-58.28
CCCC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042685	1	57	0.0	-67.22	416.06	9.15	-58.07
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042686	0	54	0.0	-67.87	398.84	10.13	-57.74
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042686	1	54	0.0	-56.77	393.53	10.20	-46.57
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042687	0	52	0.0	-51.33	386.51	10.47	-40.86
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042687	1	52	0.0	-57.13	387.10	10.43	-46.70
C=CCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042688	0	52	0.0	-51.50	397.83	10.23	-41.27
C=CCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042688	1	52	0.0	-52.05	401.09	10.40	-41.65
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042689	0	57	0.0	-55.49	424.43	11.12	-44.37
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042689	1	57	0.0	-51.75	424.18	10.91	-40.84
CC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042690	0	51	0.0	-58.15	381.10	7.40	-50.75
CC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042690	1	51	0.0	-57.84	376.28	7.49	-50.35
CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)(C(=O)[O-])C1CC1	REAL300013042691	0	55	0.0	-68.18	403.89	9.14	-59.04
CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)(C(=O)[O-])C1CC1	REAL300013042691	1	55	0.0	-68.93	399.11	9.23	-59.70
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042692	0	52	0.0	-66.79	417.47	9.21	-57.58
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=CS2)C[N@H+]1CC1=CC=CC=C1	REAL300013042692	1	52	0.0	-67.11	418.22	9.20	-57.91
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042693	0	58	0.0	-70.03	418.59	10.20	-59.83
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042693	1	58	0.0	-68.61	423.20	10.39	-58.22
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042694	0	54	0.0	-67.87	398.84	10.13	-57.74
CC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042694	1	54	0.0	-56.77	393.53	10.20	-46.57
CCCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042695	0	54	0.0	-52.32	409.78	10.60	-41.72
CCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042695	1	54	0.0	-55.70	404.95	10.68	-45.02
CCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042696	0	51	0.0	-69.12	383.48	9.92	-59.20
CCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042696	1	51	0.0	-68.02	388.27	9.84	-58.18
CC[C@H](C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042697	0	57	0.0	-66.51	420.31	8.96	-57.55
CC[C@H](C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042697	1	57	0.0	-68.52	415.09	9.06	-59.46
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042698	0	55	0.0	-70.06	403.88	9.10	-60.96
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042698	1	55	0.0	-68.88	400.45	9.25	-59.63
CCC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042699	0	54	0.0	-67.13	394.45	8.38	-58.75
CCC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042699	1	54	0.0	-64.27	394.57	8.39	-55.88
CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013042700	0	58	0.0	-69.04	434.30	10.87	-58.17
CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013042700	1	58	0.0	-66.76	434.39	10.88	-55.88
C[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042701	0	48	0.0	-60.17	368.80	6.97	-53.20
C[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042701	1	48	0.0	-59.67	363.68	7.10	-52.57
CCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042702	0	51	0.0	-69.12	383.48	9.92	-59.20
CCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042702	1	51	0.0	-68.02	388.27	9.84	-58.18
C[C@@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042703	0	48	0.0	-58.90	368.49	7.00	-51.90
C[C@@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042703	1	48	0.0	-58.84	371.97	7.12	-51.72
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042704	0	49	0.0	-71.56	373.19	8.19	-63.37
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042704	1	49	0.0	-71.84	374.83	8.20	-63.64
CC1(C)CC(NC(=O)N2CCOCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042705	0	53	0.0	-72.93	387.24	8.57	-64.36
CC1(C)CC(NC(=O)N2CCOCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042705	1	53	0.0	-72.68	394.57	8.69	-63.99
CN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C1(C(=O)[O-])CCCCC1	REAL300013042706	0	61	0.0	-72.08	427.64	11.52	-60.56
CN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C1(C(=O)[O-])CCCCC1	REAL300013042706	1	61	0.0	-73.08	429.33	11.53	-61.55
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042707	0	52	0.0	-67.77	398.05	8.56	-59.21
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042707	1	52	0.0	-67.21	391.92	8.61	-58.60
CN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013042708	0	58	0.0	-71.96	435.09	12.06	-59.90
CN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013042708	1	58	0.0	-68.58	436.35	12.35	-56.23
COCCN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042709	0	55	0.0	-53.05	419.71	9.33	-43.72
COCCN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042709	1	55	0.0	-55.38	411.55	9.77	-45.61
CC1(C)CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042710	0	52	0.0	-72.66	391.33	9.54	-63.12
CC1(C)CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042710	1	52	0.0	-74.91	391.42	9.53	-65.38
CC1(C)CC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042711	0	55	0.0	-73.24	400.24	10.94	-62.30
CC1(C)CC(NC(=O)N2CCCC[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042711	1	55	0.0	-73.29	400.12	10.89	-62.40
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042712	0	51	0.0	-64.79	376.88	9.15	-55.64
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042712	1	51	0.0	-64.36	381.46	9.09	-55.27
CC1(C)CC(NC(=O)N2CCC[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042713	0	52	0.0	-72.68	389.98	9.49	-63.19
CC1(C)CC(NC(=O)N2CCC[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042713	1	52	0.0	-76.13	394.64	9.69	-66.44
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042714	0	52	0.0	-72.88	386.88	8.81	-64.07
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042714	1	52	0.0	-71.64	391.54	8.73	-62.91
C=CCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042715	0	52	0.0	-67.04	402.82	8.48	-58.56
C=CCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042715	1	52	0.0	-68.42	398.84	8.57	-59.85
CC1(C)CC(NC(=O)N2CCCC2(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042716	0	55	0.0	-73.59	406.19	10.46	-63.13
CC1(C)CC(NC(=O)N2CCCC2(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042716	1	55	0.0	-70.43	406.33	10.48	-59.95
CC1(C)CC(NC(=O)N2CCCCCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042717	0	58	0.0	-73.65	410.47	11.86	-61.79
CC1(C)CC(NC(=O)N2CCCCCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042717	1	58	0.0	-70.91	413.36	11.45	-59.46
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042718	0	52	0.0	-67.77	398.05	8.56	-59.21
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042718	1	52	0.0	-67.21	391.92	8.61	-58.60
CC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042719	0	51	0.0	-62.90	380.83	8.99	-53.91
CC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042719	1	51	0.0	-64.43	381.47	9.09	-55.34
CCCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042720	0	57	0.0	-65.50	433.10	9.63	-55.87
CCCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042720	1	57	0.0	-65.89	433.44	9.58	-56.31
CC1(C)CC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042721	0	55	0.0	-73.67	406.24	10.48	-63.19
CC1(C)CC(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042721	1	55	0.0	-74.64	409.51	10.65	-63.99
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042722	0	58	0.0	-51.55	424.67	11.42	-40.13
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042722	1	58	0.0	-54.94	424.72	11.41	-43.53
COCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042723	0	52	0.0	-69.36	401.72	6.25	-63.11
COCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042723	1	52	0.0	-69.41	402.16	6.32	-63.09
CCCCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042724	0	60	0.0	-66.07	454.85	10.35	-55.72
CCCCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042724	1	60	0.0	-65.25	454.69	10.43	-54.82
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042725	0	59	0.0	-55.36	433.10	9.75	-45.61
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042725	1	59	0.0	-55.41	428.21	9.83	-45.58
CN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C1(C(=O)[O-])CCCC1	REAL300013042726	0	58	0.0	-72.85	416.03	11.11	-61.74
CN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C1(C(=O)[O-])CCCC1	REAL300013042726	1	58	0.0	-70.91	415.94	10.86	-60.05
CC(C(=O)[O-])N(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C1CC1	REAL300013042727	0	55	0.0	-64.00	398.03	10.08	-53.92
CC(C(=O)[O-])N(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C1CC1	REAL300013042727	1	55	0.0	-57.76	402.16	10.43	-47.33
CCC(C(=O)[O-])N(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C1CC1	REAL300013042728	0	58	0.0	-59.23	427.37	11.46	-47.77
CCC(C(=O)[O-])N(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C1CC1	REAL300013042728	1	58	0.0	-59.66	430.42	11.78	-47.88
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C[N@@H+]1CC1=CC=CC=C1	REAL300013042729	0	55	0.0	-73.96	430.63	10.24	-63.72
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C[N@H+]1CC1=CC=CC=C1	REAL300013042729	1	55	0.0	-71.98	430.74	10.26	-61.72
CC1=CC=C(C(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C(=O)[O-])C=C1	REAL300013042730	0	58	0.0	-66.98	447.69	10.85	-56.13
CC1=CC=C(C(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C(=O)[O-])C=C1	REAL300013042730	1	58	0.0	-67.39	447.93	10.79	-56.60
CC1(C)CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042731	0	51	0.0	-62.56	406.27	8.72	-53.84
CC1(C)CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042731	1	51	0.0	-61.85	406.12	8.81	-53.04
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCSCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042732	0	56	0.0	-67.62	417.55	9.90	-57.72
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCSCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042732	1	56	0.0	-67.49	417.73	9.89	-57.60
COCC(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042733	0	55	0.0	-71.71	412.70	7.67	-64.04
COCC(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042733	1	55	0.0	-71.48	412.82	7.68	-63.80
CCOCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042734	0	58	0.0	-66.20	432.68	9.33	-56.87
CCOCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042734	1	58	0.0	-66.47	432.59	9.40	-57.07
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042735	0	57	0.0	-55.49	424.43	11.12	-44.37
CC(C)CN(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042735	1	57	0.0	-51.75	424.18	10.91	-40.84
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042736	0	52	0.0	-51.33	386.51	10.47	-40.86
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042736	1	52	0.0	-57.13	387.10	10.43	-46.70
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCOC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042737	0	53	0.0	-67.42	391.47	6.61	-60.81
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCOC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042737	1	53	0.0	-66.65	396.01	6.52	-60.13
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042738	0	61	0.0	-67.93	446.15	10.44	-57.49
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042738	1	61	0.0	-67.25	449.05	10.50	-56.75
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042739	0	56	0.0	-69.62	409.81	7.71	-61.91
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042739	1	56	0.0	-70.59	411.44	7.73	-62.86
C=CCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042740	0	55	0.0	-66.00	424.66	9.35	-56.65
C=CCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042740	1	55	0.0	-67.61	424.51	9.42	-58.19
CC1(C)CC(NC(=O)NC(CF)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042741	0	48	0.0	-56.86	372.16	7.02	-49.84
CC1(C)CC(NC(=O)NC(CF)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042741	1	48	0.0	-56.01	372.09	7.05	-48.96
CC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042742	0	51	0.0	-62.90	380.83	8.99	-53.91
CC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042742	1	51	0.0	-64.43	381.47	9.09	-55.34
CCC(CC)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042743	0	57	0.0	-65.68	410.84	9.27	-56.41
CCC(CC)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042743	1	57	0.0	-69.33	406.35	9.36	-59.97
CCC(C)N(CC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042744	0	57	0.0	-50.18	422.09	11.24	-38.94
CCC(C)N(CC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042744	1	57	0.0	-55.08	414.19	11.25	-43.83
CCC(COC)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042745	0	58	0.0	-73.21	429.41	8.57	-64.64
CCC(COC)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042745	1	58	0.0	-70.02	429.49	8.58	-61.44
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042746	0	61	0.0	-66.78	452.95	10.09	-56.69
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042746	1	61	0.0	-66.98	453.70	10.18	-56.80
CC1(C)CC(NC(=O)NC(CC2CC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042747	0	55	0.0	-68.27	421.92	9.58	-58.69
CC1(C)CC(NC(=O)NC(CC2CC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042747	1	55	0.0	-67.88	422.21	9.53	-58.35
COCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042748	0	55	0.0	-65.96	423.78	7.15	-58.81
COCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042748	1	55	0.0	-66.33	424.12	7.10	-59.23
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042749	0	60	0.0	-64.20	438.59	11.37	-52.83
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042749	1	60	0.0	-65.26	439.77	11.51	-53.75
CC1(C)CC(NC(=O)NC(CC(F)F)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042750	0	51	0.0	-61.27	400.72	8.61	-52.66
CC1(C)CC(NC(=O)NC(CC(F)F)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042750	1	51	0.0	-65.75	402.79	8.33	-57.42
CCCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042751	0	61	0.0	-74.62	443.49	12.37	-62.25
CCCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042751	1	61	0.0	-74.01	436.11	12.54	-61.47
CCCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(C)C(=O)[O-]	REAL300013042752	0	57	0.0	-43.79	419.57	11.64	-32.15
CCCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(C)C(=O)[O-]	REAL300013042752	1	57	0.0	-63.47	414.56	10.64	-52.83
CC1(C)CC(NC(=O)NC(CCF)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042753	0	51	0.0	-65.32	396.94	8.16	-57.16
CC1(C)CC(NC(=O)NC(CCF)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042753	1	51	0.0	-67.04	396.79	8.24	-58.80
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042754	0	59	0.0	-55.36	433.10	9.75	-45.61
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042754	1	59	0.0	-55.41	428.21	9.83	-45.58
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042755	0	61	0.0	-48.45	437.22	12.20	-36.25
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042755	1	61	0.0	-51.82	441.99	12.12	-39.70
C[C@H]1CC[C@@](NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)(C(=O)[O-])CC1	REAL300013042756	0	61	0.0	-67.86	429.24	10.68	-57.18
C[C@H]1CC[C@@](NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)(C(=O)[O-])CC1	REAL300013042756	1	61	0.0	-67.88	433.81	10.60	-57.28
CC(CCF)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042757	0	54	0.0	-61.99	401.03	8.52	-53.47
CC(CCF)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042757	1	54	0.0	-61.71	401.16	8.53	-53.18
CC1(C)CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042758	0	56	0.0	-58.35	424.28	10.71	-47.64
CC1(C)CC(NC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042758	1	56	0.0	-57.79	423.31	10.58	-47.21
CC1(C)CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042759	0	52	0.0	-67.66	402.85	9.66	-58.00
CC1(C)CC(NC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042759	1	52	0.0	-68.36	404.46	9.68	-58.68
C[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042760	0	51	0.0	-62.91	378.82	9.02	-53.89
C[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042760	1	51	0.0	-65.51	383.47	9.17	-56.34
CC1(C)CC(NC(=O)N2CC3CC2(C(=O)[O-])C3)C[N@@H+]1CC1=CC=CC=C1	REAL300013042761	0	53	0.0	-77.45	397.47	10.50	-66.95
CC1(C)CC(NC(=O)N2CC3CC2(C(=O)[O-])C3)C[N@H+]1CC1=CC=CC=C1	REAL300013042761	1	53	0.0	-76.84	396.63	10.54	-66.30
COC1CN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C(C)(C(=O)[O-])C1	REAL300013042762	0	59	0.0	-68.39	438.95	9.51	-58.88
COC1CN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C(C)(C(=O)[O-])C1	REAL300013042762	1	59	0.0	-75.91	434.69	9.52	-66.39
CC(C)(C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042763	0	57	0.0	-68.13	419.51	9.16	-58.97
CC(C)(C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042763	1	57	0.0	-68.51	422.67	9.30	-59.21
C=C(Cl)CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042764	0	52	0.0	-68.91	419.62	9.07	-59.84
C=C(Cl)CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042764	1	52	0.0	-63.60	418.67	9.22	-54.38
C=C(C)CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042765	0	55	0.0	-66.73	421.10	9.49	-57.24
C=C(C)CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042765	1	55	0.0	-68.87	423.59	9.33	-59.54
CC1(C)CC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C[N@@H+]1CC1=CC=CC=C1	REAL300013042766	0	56	0.0	-79.59	410.87	11.39	-68.20
CC1(C)CC(NC(=O)N2C3CCC2(C(=O)[O-])CC3)C[N@H+]1CC1=CC=CC=C1	REAL300013042766	1	56	0.0	-76.80	409.22	11.38	-65.42
CC1(C)CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042767	0	52	0.0	-67.51	403.13	9.68	-57.83
CC1(C)CC(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042767	1	52	0.0	-68.88	406.25	9.85	-59.03
CC1(C)CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042768	0	52	0.0	-72.56	396.48	9.63	-62.93
CC1(C)CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042768	1	52	0.0	-69.57	396.55	9.61	-59.96
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C1	REAL300013042769	0	53	0.0	-73.37	403.54	9.99	-63.38
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C1	REAL300013042769	1	53	0.0	-71.44	403.34	10.01	-61.43
CC(C)C[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042770	0	57	0.0	-68.32	428.77	9.39	-58.93
CC(C)C[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042770	1	57	0.0	-69.48	424.23	9.42	-60.06
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042771	0	59	0.0	-69.67	434.88	7.81	-61.86
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042771	1	59	0.0	-71.02	434.28	7.91	-63.11
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042772	0	55	0.0	-69.11	426.53	10.10	-59.01
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013042772	1	55	0.0	-67.26	426.56	10.10	-57.16
CC1(C)CC(NC(=O)NC(CC2CC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042773	0	55	0.0	-68.27	421.92	9.58	-58.69
CC1(C)CC(NC(=O)NC(CC2CC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042773	1	55	0.0	-67.88	422.21	9.53	-58.35
CC(C)CCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042774	0	63	0.0	-66.05	472.42	10.87	-55.18
CC(C)CCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042774	1	63	0.0	-64.92	471.66	10.89	-54.03
CC1(C)CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042775	0	59	0.0	-65.35	444.26	8.95	-56.40
CC1(C)CC(NC(=O)NC(CC2CCCO2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042775	1	59	0.0	-67.64	444.56	8.90	-58.74
CSCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042776	0	52	0.0	-65.35	413.81	8.45	-56.90
CSCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042776	1	52	0.0	-64.82	413.90	8.45	-56.37
COC[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042777	0	52	0.0	-69.86	402.17	6.27	-63.59
COC[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042777	1	52	0.0	-67.35	402.30	6.28	-61.07
CC[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042778	0	51	0.0	-67.67	389.48	8.04	-59.63
CC[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042778	1	51	0.0	-68.42	384.70	8.12	-60.30
CCC(C)CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042779	0	60	0.0	-69.00	446.92	9.98	-59.02
CCC(C)CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042779	1	60	0.0	-68.10	447.13	10.06	-58.04
C=CCCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042780	0	58	0.0	-65.62	445.91	10.20	-55.42
C=CCCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042780	1	58	0.0	-64.57	445.40	10.15	-54.42
CC1(C)CC(NC(=O)N2CCSCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042781	0	53	0.0	-73.04	395.64	11.01	-62.03
CC1(C)CC(NC(=O)N2CCSCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042781	1	53	0.0	-74.42	403.68	11.22	-63.20
CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013042782	0	58	0.0	-69.04	434.30	10.87	-58.17
CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013042782	1	58	0.0	-66.76	434.39	10.88	-55.88
CC1(C)CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042783	0	52	0.0	-72.66	391.33	9.54	-63.12
CC1(C)CC(NC(=O)N2CCC[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042783	1	52	0.0	-74.91	391.42	9.53	-65.38
CCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042784	0	54	0.0	-65.64	411.61	8.85	-56.79
CCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042784	1	54	0.0	-67.69	411.70	8.86	-58.83
CC(C)[C@@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042785	0	54	0.0	-66.45	402.42	8.35	-58.10
CC(C)[C@@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042785	1	54	0.0	-68.27	402.54	8.34	-59.93
CC1(C)CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042786	0	56	0.0	-77.93	406.35	11.54	-66.39
CC1(C)CC(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042786	1	56	0.0	-77.07	410.55	11.49	-65.58
CCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(C)(C)C(=O)[O-]	REAL300013042787	0	57	0.0	-70.51	414.99	10.79	-59.72
CCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(C)(C)C(=O)[O-]	REAL300013042787	1	57	0.0	-70.04	415.12	10.75	-59.29
CCCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(C)C(=O)[O-]	REAL300013042788	0	57	0.0	-43.79	419.57	11.64	-32.15
CCCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(C)C(=O)[O-]	REAL300013042788	1	57	0.0	-63.47	414.56	10.64	-52.83
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C[N@@H+]1CC1=CC=CC=C1	REAL300013042789	0	51	0.0	-63.45	398.10	10.42	-53.03
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C[N@H+]1CC1=CC=CC=C1	REAL300013042789	1	51	0.0	-63.27	402.89	10.34	-52.93
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C[N@@H+]1CC1=CC=CC=C1	REAL300013042790	0	51	0.0	-63.45	398.10	10.42	-53.03
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC(F)(F)F)C[N@H+]1CC1=CC=CC=C1	REAL300013042790	1	51	0.0	-63.27	402.89	10.34	-52.93
CN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(C)(C)C(=O)[O-]	REAL300013042791	0	54	0.0	-69.14	394.30	9.86	-59.28
CN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(C)(C)C(=O)[O-]	REAL300013042791	1	54	0.0	-70.12	395.68	9.88	-60.24
CC1(C)CC(NC(=O)N2CCC[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042792	0	52	0.0	-72.68	389.98	9.49	-63.19
CC1(C)CC(NC(=O)N2CCC[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042792	1	52	0.0	-76.13	394.64	9.69	-66.44
CC1(C)CC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042793	0	53	0.0	-74.45	402.53	6.14	-68.31
CC1(C)CC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042793	1	53	0.0	-77.05	402.66	6.11	-70.94
CCC[C@@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042794	0	54	0.0	-65.63	411.57	8.85	-56.78
CCC[C@@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042794	1	54	0.0	-66.02	407.01	8.88	-57.14
CC1(C)CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042795	0	55	0.0	-67.51	426.49	10.09	-57.42
CC1(C)CC(NC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013042795	1	55	0.0	-67.34	421.71	10.19	-57.15
C=CCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042796	0	55	0.0	-66.00	424.66	9.35	-56.65
C=CCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042796	1	55	0.0	-67.61	424.51	9.42	-58.19
CN1CC(C(=O)[O-])N(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)CC1=O	REAL300013042797	0	56	0.0	-66.13	417.02	9.19	-56.94
CN1CC(C(=O)[O-])N(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)CC1=O	REAL300013042797	1	56	0.0	-66.96	417.57	9.30	-57.66
CC1(C)CC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042798	0	55	0.0	-70.80	406.21	10.48	-60.32
CC1(C)CC(NC(=O)N2CCC[C@]2(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042798	1	55	0.0	-70.53	404.81	10.43	-60.10
CC(C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042799	0	54	0.0	-67.58	405.44	8.63	-58.95
CC(C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042799	1	54	0.0	-66.43	403.04	8.35	-58.08
CC1(C)CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042800	0	55	0.0	-69.10	426.44	10.09	-59.01
CC1(C)CC(NC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013042800	1	55	0.0	-68.46	429.05	10.28	-58.18
CC(CN1C=CC=N1)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042801	0	58	0.0	-68.39	435.93	9.42	-58.97
CC(CN1C=CC=N1)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042801	1	58	0.0	-68.78	431.03	9.52	-59.26
C[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042802	0	51	0.0	-62.91	378.82	9.02	-53.89
C[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042802	1	51	0.0	-65.51	383.47	9.17	-56.34
CCC[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042803	0	54	0.0	-68.39	411.81	8.79	-59.60
CCC[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042803	1	54	0.0	-69.01	407.03	8.88	-60.13
CCN(C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(C)C(=O)[O-]	REAL300013042804	0	54	0.0	-65.33	398.02	9.88	-55.45
CCN(C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(C)C(=O)[O-]	REAL300013042804	1	54	0.0	-66.71	396.32	10.63	-56.08
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042805	0	58	0.0	-51.55	424.67	11.42	-40.13
CC1(C)CC(NC(=O)N(CC(=O)[O-])C2CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042805	1	58	0.0	-54.94	424.72	11.41	-43.53
CC(CN(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042806	0	54	0.0	-67.83	399.42	9.45	-58.38
CC(CN(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042806	1	54	0.0	-72.45	401.96	9.77	-62.68
CC[C@H](C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042807	0	57	0.0	-66.51	420.31	8.96	-57.55
CC[C@H](C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042807	1	57	0.0	-68.52	415.09	9.06	-59.46
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042808	0	54	0.0	-62.87	399.45	10.13	-52.74
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042808	1	54	0.0	-63.22	402.05	10.22	-53.00
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042809	0	56	0.0	-69.64	423.75	6.00	-63.64
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC(CO)C2)C[N@H+]1CC1=CC=CC=C1	REAL300013042809	1	56	0.0	-76.25	422.23	5.90	-70.35
CC1CCC(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)(C(=O)[O-])C1	REAL300013042810	0	58	0.0	-68.90	425.05	9.66	-59.24
CC1CCC(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)(C(=O)[O-])C1	REAL300013042810	1	58	0.0	-68.70	429.55	9.90	-58.80
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C[N@@H+]1CC1=CC=CC=C1	REAL300013042811	0	61	0.0	-71.41	435.90	10.46	-60.95
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCC2(C)C)C[N@H+]1CC1=CC=CC=C1	REAL300013042811	1	61	0.0	-71.22	435.94	10.50	-60.72
COCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042812	0	55	0.0	-65.96	423.78	7.15	-58.81
COCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042812	1	55	0.0	-66.33	424.12	7.10	-59.23
CC1(C)CC(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)(C(=O)[O-])C1	REAL300013042813	0	58	0.0	-73.61	422.96	10.51	-63.10
CC1(C)CC(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)(C(=O)[O-])C1	REAL300013042813	1	58	0.0	-72.22	428.06	10.42	-61.80
CC1(C(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C(=O)[O-])CC1	REAL300013042814	0	55	0.0	-68.48	413.93	9.39	-59.09
CC1(C(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C(=O)[O-])CC1	REAL300013042814	1	55	0.0	-70.89	413.96	9.39	-61.50
CC1(C)CC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042815	0	53	0.0	-77.11	399.75	6.42	-70.69
CC1(C)CC(NC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042815	1	53	0.0	-80.34	401.27	6.40	-73.94
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCOC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042816	0	56	0.0	-64.99	422.09	7.23	-57.76
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCOC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042816	1	56	0.0	-64.21	412.48	7.13	-57.08
CC1(C)CC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042817	0	56	0.0	-77.23	411.35	11.05	-66.18
CC1(C)CC(NC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042817	1	56	0.0	-74.34	411.48	11.04	-63.30
CC1(C)CC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C[N@@H+]1CC1=CC=CC=C1	REAL300013042818	0	54	0.0	-73.37	403.02	8.82	-64.55
CC1(C)CC(NC(=O)N2CC3CC2(C(=O)[O-])CO3)C[N@H+]1CC1=CC=CC=C1	REAL300013042818	1	54	0.0	-74.87	398.45	8.89	-65.98
CC1CCC(C(=O)[O-])N(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C1	REAL300013042819	0	58	0.0	-74.31	421.62	11.80	-62.51
CC1CCC(C(=O)[O-])N(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C1	REAL300013042819	1	58	0.0	-72.74	420.97	11.50	-61.24
CC1(C)CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042820	0	62	0.0	-65.59	458.28	11.89	-53.70
CC1(C)CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042820	1	62	0.0	-68.47	458.64	11.85	-56.62
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042821	0	55	0.0	-68.40	415.22	9.08	-59.32
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042821	1	55	0.0	-68.69	410.04	9.11	-59.58
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042822	0	61	0.0	-67.93	446.15	10.44	-57.49
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042822	1	61	0.0	-67.25	449.05	10.50	-56.75
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042823	0	55	0.0	-68.40	415.22	9.08	-59.32
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042823	1	55	0.0	-68.69	410.04	9.11	-59.58
CC1CCN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C1C(=O)[O-]	REAL300013042824	0	55	0.0	-75.54	400.94	10.16	-65.38
CC1CCN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C1C(=O)[O-]	REAL300013042824	1	55	0.0	-75.54	413.02	10.69	-64.85
C=CCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042825	0	52	0.0	-67.04	402.82	8.48	-58.56
C=CCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042825	1	52	0.0	-68.42	398.84	8.57	-59.85
CC1(C)CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C[N@@H+]1CC1=CC=CC=C1	REAL300013042826	0	62	0.0	-49.42	434.86	11.70	-37.72
CC1(C)CC(NC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C[N@H+]1CC1=CC=CC=C1	REAL300013042826	1	62	0.0	-45.38	434.75	11.70	-33.68
CC1(C)CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042827	0	56	0.0	-52.13	407.56	11.02	-41.11
CC1(C)CC(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042827	1	56	0.0	-42.52	415.14	11.12	-31.40
CC1(C)CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042828	0	62	0.0	-65.59	458.28	11.89	-53.70
CC1(C)CC(NC(=O)NC(CC2CC=CCC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042828	1	62	0.0	-68.47	458.64	11.85	-56.62
COC1CC(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)(C(=O)[O-])C1	REAL300013042829	0	56	0.0	-66.73	423.68	8.00	-58.73
COC1CC(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)(C(=O)[O-])C1	REAL300013042829	1	56	0.0	-71.46	425.21	7.66	-63.80
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042830	0	52	0.0	-71.43	395.31	8.84	-62.59
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C[N@H+]1CC1=CC=CC=C1	REAL300013042830	1	52	0.0	-61.75	404.33	9.00	-52.75
CO[C@H]1C[C@](NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)(C(=O)[O-])C1	REAL300013042831	0	56	0.0	-68.85	423.48	8.00	-60.85
CO[C@H]1C[C@](NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)(C(=O)[O-])C1	REAL300013042831	1	56	0.0	-68.90	423.61	8.00	-60.90
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042832	0	58	0.0	-71.21	422.11	11.53	-59.68
CCC1(C(=O)[O-])CCCN1C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042832	1	58	0.0	-73.82	414.66	11.81	-62.01
CC1(C)CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042833	0	51	0.0	-62.56	406.27	8.72	-53.84
CC1(C)CC(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042833	1	51	0.0	-61.85	406.12	8.81	-53.04
CC1(C)CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042834	0	59	0.0	-68.55	444.31	8.05	-60.50
CC1(C)CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042834	1	59	0.0	-63.78	439.33	7.73	-56.05
CC1(C)CC(NC(=O)NC2(C(=O)[O-])COC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042835	0	50	0.0	-64.02	380.97	5.74	-58.28
CC1(C)CC(NC(=O)NC2(C(=O)[O-])COC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042835	1	50	0.0	-64.68	385.47	5.95	-58.73
CC(C)C(C)(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042836	0	57	0.0	-67.91	409.38	9.01	-58.90
CC(C)C(C)(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042836	1	57	0.0	-67.76	409.49	9.02	-58.74
CC1(C)CC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042837	0	53	0.0	-75.36	396.91	11.09	-64.27
CC1(C)CC(NC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042837	1	53	0.0	-76.09	399.95	11.20	-64.89
CC1(C)CC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042838	0	56	0.0	-76.55	408.02	10.77	-65.78
CC1(C)CC(NC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042838	1	56	0.0	-74.32	415.66	10.70	-63.62
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C[N@@H+]1CC1=CC=CC=C1	REAL300013042839	0	62	0.0	-70.17	451.99	10.80	-59.37
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C[N@H+]1CC1=CC=CC=C1	REAL300013042839	1	62	0.0	-70.84	452.76	10.61	-60.23
CC1(C)CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042840	0	62	0.0	-50.84	449.49	11.89	-38.95
CC1(C)CC(NC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042840	1	62	0.0	-48.81	453.34	11.85	-36.96
CC1(C)CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042841	0	62	0.0	-74.08	447.93	11.62	-62.46
CC1(C)CC(NC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042841	1	62	0.0	-75.49	449.02	11.82	-63.67
C=CCSCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042842	0	56	0.0	-63.18	448.08	9.90	-53.28
C=CCSCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042842	1	56	0.0	-64.82	448.17	9.91	-54.91
CCC(C(=O)[O-])N(CC)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042843	0	57	0.0	-66.08	414.52	10.73	-55.35
CCC(C(=O)[O-])N(CC)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042843	1	57	0.0	-63.71	409.74	10.81	-52.90
COC1(C(NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C(=O)[O-])CCC1	REAL300013042844	0	59	0.0	-69.10	438.85	7.93	-61.17
COC1(C(NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C(=O)[O-])CCC1	REAL300013042844	1	59	0.0	-69.29	442.23	8.06	-61.23
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042845	0	55	0.0	-71.89	423.31	9.57	-62.32
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C[N@H+]1CC1=CC=CC=C1	REAL300013042845	1	55	0.0	-66.77	421.78	9.44	-57.33
CC1(C)CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042847	0	52	0.0	-72.56	396.48	9.63	-62.93
CC1(C)CC(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042847	1	52	0.0	-69.57	396.55	9.61	-59.96
CC1(C)CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042848	0	54	0.0	-51.92	405.21	10.75	-41.17
CC1(C)CC(NC(=O)N2C3C=CC(C3)C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042848	1	54	0.0	-51.76	405.30	10.78	-40.98
CC1(C)CCN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C1C(=O)[O-]	REAL300013042849	0	58	0.0	-72.03	416.84	10.95	-61.08
CC1(C)CCN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C1C(=O)[O-]	REAL300013042849	1	58	0.0	-75.54	419.69	10.92	-64.62
CC1(C)CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042850	0	62	0.0	-73.47	445.73	12.64	-60.83
CC1(C)CC(NC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042850	1	62	0.0	-73.89	446.35	12.83	-61.06
CC(C)CCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042851	0	60	0.0	-66.25	450.91	10.08	-56.17
CC(C)CCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042851	1	60	0.0	-65.10	450.16	10.11	-54.99
CC1(C)CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042852	0	59	0.0	-52.57	438.43	11.37	-41.20
CC1(C)CC(NC(=O)N2CC3(CCC3)CC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042852	1	59	0.0	-48.25	436.94	11.36	-36.89
CC1(C)CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042853	0	59	0.0	-68.55	444.31	8.05	-60.50
CC1(C)CC(NC(=O)NC(CC2CCOC2)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042853	1	59	0.0	-63.78	439.33	7.73	-56.05
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C1	REAL300013042854	0	56	0.0	-69.48	432.18	10.87	-58.61
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C1	REAL300013042854	1	56	0.0	-72.43	435.24	11.22	-61.21
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)C[N@@H+]1CC1=CC=CC=C1	REAL300013042855	0	59	0.0	-73.59	425.68	10.86	-62.73
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCCC3CC32)C[N@H+]1CC1=CC=CC=C1	REAL300013042855	1	59	0.0	-70.64	428.46	10.61	-60.03
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)C[N@@H+]1CC1=CC=CC=C1	REAL300013042856	0	56	0.0	-68.42	413.88	9.70	-58.72
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CCC3CC32)C[N@H+]1CC1=CC=CC=C1	REAL300013042856	1	56	0.0	-70.15	408.14	10.07	-60.08
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042857	0	59	0.0	-68.11	434.15	10.35	-57.76
CC1(C)CC(NC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C[N@H+]1CC1=CC=CC=C1	REAL300013042857	1	59	0.0	-70.74	433.83	10.36	-60.38
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042858	0	58	0.0	-67.29	426.63	9.54	-57.75
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013042858	1	58	0.0	-68.75	426.61	9.62	-59.13
CO[C@H](C)[C@H](NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042859	0	55	0.0	-66.87	419.07	7.24	-59.63
CO[C@H](C)[C@H](NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042859	1	55	0.0	-70.19	415.51	7.36	-62.83
CC1[C@@H](C)[C@@]1(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042860	0	55	0.0	-69.15	404.70	9.29	-59.86
CC1[C@@H](C)[C@@]1(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042860	1	55	0.0	-73.02	413.53	9.74	-63.28
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042861	0	58	0.0	-49.23	442.47	12.93	-36.30
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013042861	1	58	0.0	-55.30	442.44	12.93	-42.37
CC1(C)CC(C(=O)[O-])N(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C1	REAL300013042862	0	58	0.0	-48.20	428.23	10.65	-37.55
CC1(C)CC(C(=O)[O-])N(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C1	REAL300013042862	1	58	0.0	-51.28	432.56	10.79	-40.49
CC1(C)CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042863	0	55	0.0	-73.17	410.58	11.23	-61.94
CC1(C)CC(NC(=O)N2CCC(F)(F)CC2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042863	1	55	0.0	-75.20	406.85	11.37	-63.83
CC1(C)CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042864	0	52	0.0	-73.10	395.93	9.94	-63.16
CC1(C)CC(NC(=O)N2CCC(F)(F)C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042864	1	52	0.0	-75.94	398.71	9.73	-66.21
CC1(C)CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042865	0	55	0.0	-69.73	418.74	10.71	-59.02
CC1(C)CC(NC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042865	1	55	0.0	-64.79	418.30	10.60	-54.19
CC1(C)CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042866	0	59	0.0	-73.38	428.08	11.29	-62.09
CC1(C)CC(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042866	1	59	0.0	-75.87	427.45	11.06	-64.81
COCCCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042867	0	58	0.0	-65.70	445.52	7.86	-57.84
COCCCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042867	1	58	0.0	-65.44	445.61	7.87	-57.57
CCCC(C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042868	0	57	0.0	-63.43	423.29	10.94	-52.49
CCCC(C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042868	1	57	0.0	-65.25	423.41	10.94	-54.31
CCOCC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042869	0	55	0.0	-67.93	424.06	7.25	-60.68
CCOCC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042869	1	55	0.0	-67.12	419.10	7.39	-59.73
CC(C)(C)CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042870	0	60	0.0	-69.05	441.20	10.42	-58.63
CC(C)(C)CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013042870	1	60	0.0	-65.55	440.40	10.44	-55.11
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042871	0	59	0.0	-68.70	440.17	8.57	-60.13
CC1(C)CC(NC(=O)NC(C(=O)[O-])C2CCCCO2)C[N@H+]1CC1=CC=CC=C1	REAL300013042871	1	59	0.0	-68.73	445.43	8.73	-60.00
C[C@H]1OCCN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)[C@@H]1C(=O)[O-]	REAL300013042872	0	56	0.0	-73.54	411.91	9.50	-64.04
C[C@H]1OCCN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)[C@@H]1C(=O)[O-]	REAL300013042872	1	56	0.0	-75.43	407.07	9.59	-65.84
CC1(C)CC(NC(=O)NC(CCC#N)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013042873	0	52	0.0	-70.60	411.21	8.53	-62.07
CC1(C)CC(NC(=O)NC(CCC#N)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013042873	1	52	0.0	-70.12	411.06	8.60	-61.52
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C[N@@H+]1CC1=CC=CC=C1	REAL300013042874	0	55	0.0	-56.06	428.94	10.99	-45.07
CC1(C)CC(NC(=O)N(CC(=O)[O-])CC2=CC=CO2)C[N@H+]1CC1=CC=CC=C1	REAL300013042874	1	55	0.0	-53.10	429.02	10.98	-42.12
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042875	0	51	0.0	-64.79	376.88	9.15	-55.64
C[C@H](C(=O)[O-])N(C)C(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1	REAL300013042875	1	51	0.0	-64.36	381.46	9.09	-55.27
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@H+](CC3=CC=CC=C3)C(C)(C)C2)C1	REAL300013042876	0	59	0.0	-71.32	442.92	9.85	-61.47
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)C(C)(C)C2)C1	REAL300013042876	1	59	0.0	-75.09	448.28	9.77	-65.32
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCCNS(N)(=O)=O)CC1	REAL300013043441	0	50	0.0	-63.73	397.98	-2.31	-66.04
CSC1=NC=C(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300013044041	0	55	0.0	-61.43	440.12	6.48	-54.95
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2OCC2(C)C)CC1	REAL300013044515	0	54	0.0	-62.81	409.00	4.90	-57.91
CC1=CC(CNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=C(C)O1	REAL300013044710	0	53	0.0	-62.92	414.94	7.00	-55.92
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC(C#N)C2)CC1	REAL300013045458	0	48	0.0	-66.89	378.67	6.18	-60.71
CC(C)C[C@H](NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045818	0	53	0.0	-78.69	415.10	8.96	-69.73
C=CCOCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045819	0	52	0.0	-80.45	423.33	7.35	-73.10
C=CC(C)C(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045820	0	51	0.0	-79.17	401.51	8.47	-70.70
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300013045821	0	55	0.0	-81.55	420.59	7.41	-74.14
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300013045822	0	51	0.0	-74.67	425.55	9.74	-64.93
COC1CCN(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300013045823	0	55	0.0	-88.78	416.89	9.58	-79.20
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCCOC2)C=C1	REAL300013045824	0	55	0.0	-77.26	420.60	7.45	-69.81
CC1CCN(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300013045825	0	54	0.0	-88.01	400.55	10.83	-77.18
CC1=CC(C(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=CC=C1F	REAL300013045826	0	54	0.0	-76.58	438.94	10.35	-66.23
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1	REAL300013045827	0	56	0.0	-79.95	448.49	9.55	-70.40
CC1=CC(C(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=CC(C)=C1	REAL300013045828	0	57	0.0	-81.64	455.71	10.96	-70.68
CC1=CC=C(C(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1C	REAL300013045829	0	57	0.0	-81.30	450.61	10.86	-70.44
CC1=CC=CC(C(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=C1C	REAL300013045830	0	57	0.0	-80.36	441.91	10.64	-69.72
CCCN(CC(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045831	0	50	0.0	-69.31	396.09	10.12	-59.19
CC(C(=O)[O-])N(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C1CCC1	REAL300013045832	0	54	0.0	-68.04	409.19	10.53	-57.51
CCCN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(COC)C(=O)[O-]	REAL300013045833	0	57	0.0	-82.70	438.07	11.11	-71.59
CCCN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(CC)C(=O)[O-]	REAL300013045834	0	56	0.0	-68.38	420.96	11.78	-56.60
CC(C)C(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045835	0	50	0.0	-78.08	391.83	8.16	-69.92
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300013045836	0	51	0.0	-88.59	386.75	10.73	-77.86
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300013045837	0	51	0.0	-76.32	428.98	10.17	-66.15
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300013045838	0	49	0.0	-84.41	386.32	10.48	-73.93
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300013045839	0	54	0.0	-82.80	406.18	9.77	-73.03
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCCC2C(=O)[O-])C=C1	REAL300013045840	0	48	0.0	-84.76	375.41	9.47	-75.29
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300013045841	0	51	0.0	-82.96	391.66	8.66	-74.30
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300013045842	0	57	0.0	-83.37	411.89	10.44	-72.93
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300013045843	0	54	0.0	-79.87	434.90	10.63	-69.24
C[NH+](C)CC1=CC=C(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300013045844	0	54	0.0	-70.00	433.64	12.37	-57.63
C[NH+](C)CC1=CC=C(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013045845	0	51	0.0	-80.69	412.89	9.62	-71.07
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013045846	0	51	0.0	-80.77	412.84	9.62	-71.15
CCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045847	0	47	0.0	-78.13	375.88	7.57	-70.56
CC(C)C(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045848	0	50	0.0	-78.08	391.83	8.16	-69.92
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300013045849	0	54	0.0	-79.87	434.90	10.63	-69.24
CCC(C)C(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045850	0	53	0.0	-78.69	409.83	8.79	-69.90
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300013045851	0	51	0.0	-88.59	386.75	10.73	-77.86
CCCC(C)(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045852	0	53	0.0	-79.53	402.29	8.69	-70.84
CC(C)N(CC(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045853	0	50	0.0	-69.87	384.77	9.65	-60.22
C[NH+](C)CC1=CC=C(CCNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300013045854	0	48	0.0	-70.01	377.90	9.89	-60.12
C=CCN(CC(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045855	0	48	0.0	-69.10	387.46	9.92	-59.18
CC(C)CN(CC(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045856	0	53	0.0	-69.37	410.74	10.64	-58.73
C[NH+](C)CC1=CC=C(CCNC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300013045857	0	55	0.0	-87.90	424.41	12.61	-75.29
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300013045858	0	47	0.0	-67.24	367.40	6.93	-60.31
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300013045859	0	51	0.0	-80.91	390.35	8.68	-72.23
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=CS2)C=C1	REAL300013045860	0	48	0.0	-78.76	404.42	8.72	-70.04
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300013045861	0	54	0.0	-82.80	406.18	9.77	-73.03
CC(C)N(CC(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045862	0	50	0.0	-69.87	384.77	9.65	-60.22
CCCN(CC(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045863	0	50	0.0	-69.31	396.09	10.12	-59.19
CCN(CC(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045864	0	47	0.0	-77.86	374.59	9.36	-68.50
CC[C@H](C)[C@H](NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045865	0	53	0.0	-79.17	407.17	8.56	-70.61
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300013045866	0	51	0.0	-82.96	391.66	8.66	-74.30
C[NH+](C)CC1=CC=C(CCNC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1	REAL300013045867	0	54	0.0	-67.25	439.91	12.44	-54.81
CCC(C)(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045868	0	50	0.0	-79.16	380.85	7.92	-71.24
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=C1	REAL300013045869	0	55	0.0	-82.72	430.77	10.81	-71.91
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300013045870	0	51	0.0	-79.88	422.92	9.78	-70.10
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013045871	0	54	0.0	-81.52	420.61	10.40	-71.12
CCN(CC(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045872	0	47	0.0	-77.86	374.59	9.36	-68.50
CCCCCCC(C)(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045873	0	62	0.0	-79.73	466.84	11.02	-68.71
CN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013045874	0	57	0.0	-76.70	443.66	12.49	-64.21
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300013045875	0	45	0.0	-84.26	361.03	7.76	-76.50
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300013045876	0	51	0.0	-76.32	428.98	10.17	-66.15
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300013045877	0	49	0.0	-84.68	377.96	8.07	-76.61
CN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C1(C(=O)[O-])CCCCC1	REAL300013045878	0	57	0.0	-84.20	415.43	11.08	-73.12
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300013045879	0	48	0.0	-78.30	383.64	8.04	-70.26
C[NH+](C)CC1=CC=C(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300013045880	0	57	0.0	-70.30	455.99	13.14	-57.16
CN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013045881	0	54	0.0	-80.22	422.62	11.88	-68.34
COCCN(CC(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045882	0	51	0.0	-70.13	406.02	8.55	-61.58
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C32)C=C1	REAL300013045883	0	55	0.0	-86.26	427.51	10.69	-75.57
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300013045884	0	48	0.0	-85.23	376.18	9.16	-76.07
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300013045885	0	51	0.0	-87.53	386.29	10.48	-77.05
C[C@H](C(=O)[O-])N(C)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045886	0	47	0.0	-73.86	367.68	8.62	-65.24
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300013045887	0	48	0.0	-84.81	375.46	9.47	-75.34
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300013045888	0	48	0.0	-83.70	377.84	8.26	-75.44
C=CCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045889	0	48	0.0	-77.74	389.19	8.01	-69.73
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300013045890	0	51	0.0	-84.83	392.55	10.02	-74.81
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCCCCC2C(=O)[O-])C=C1	REAL300013045891	0	54	0.0	-87.59	399.62	11.12	-76.47
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300013045892	0	48	0.0	-78.30	383.64	8.04	-70.26
CC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045893	0	47	0.0	-74.20	366.67	8.55	-65.65
CCCCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045894	0	53	0.0	-78.00	418.88	9.12	-68.88
C[NH+](C)CC1=CC=C(CCNC(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300013045895	0	57	0.0	-70.30	455.99	13.14	-57.16
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300013045896	0	51	0.0	-84.78	392.56	10.00	-74.78
C[NH+](C)CC1=CC=C(CCNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300013045897	0	54	0.0	-69.00	410.92	10.93	-58.07
COCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045898	0	48	0.0	-80.06	388.03	5.78	-74.28
CCCCCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045899	0	56	0.0	-77.90	440.32	9.89	-68.01
CCC1CCC(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)(C(=O)[O-])CC1	REAL300013045900	0	60	0.0	-82.64	445.30	11.02	-71.62
C[NH+](C)CC1=CC=C(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C=C1	REAL300013045901	0	55	0.0	-69.30	419.41	9.27	-60.03
CN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C1(C(=O)[O-])CCCC1	REAL300013045902	0	54	0.0	-85.33	402.11	10.36	-74.97
CC(C(=O)[O-])N(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C1CC1	REAL300013045903	0	51	0.0	-69.21	392.99	10.07	-59.14
CCC(C(=O)[O-])N(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C1CC1	REAL300013045904	0	54	0.0	-68.17	414.56	11.23	-56.94
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300013045905	0	51	0.0	-81.67	423.57	10.09	-71.58
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300013045906	0	51	0.0	-85.34	416.98	9.78	-75.56
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300013045907	0	55	0.0	-71.93	427.79	12.05	-59.88
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300013045908	0	60	0.0	-79.36	456.99	10.75	-68.61
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045909	0	57	0.0	-68.72	445.55	12.94	-55.78
CC1=CC=C(C(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300013045910	0	54	0.0	-80.81	434.20	10.31	-70.50
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300013045911	0	47	0.0	-73.29	392.59	8.25	-65.04
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300013045912	0	52	0.0	-78.69	403.87	9.46	-69.23
COCC(C)(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045913	0	51	0.0	-83.17	399.04	7.21	-75.96
CCOCC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045914	0	54	0.0	-75.63	418.80	8.92	-66.71
CC(C)CN(CC(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045915	0	53	0.0	-69.37	410.74	10.64	-58.73
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045916	0	60	0.0	-67.74	461.66	13.71	-54.03
C[NH+](C)CC1=CC=C(CCNC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300013045917	0	48	0.0	-70.01	377.90	9.89	-60.12
C[NH+](C)CC1=CC=C(CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300013045918	0	50	0.0	-68.20	414.22	10.50	-57.70
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300013045919	0	49	0.0	-78.63	382.30	6.06	-72.57
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1	REAL300013045920	0	57	0.0	-80.30	429.74	9.84	-70.46
CN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(COC1CCC1)C(=O)[O-]	REAL300013045921	0	58	0.0	-76.78	445.46	10.33	-66.45
C[NH+](C)CC1=CC=C(CCNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2C2=CC=CC=C2)C=C1	REAL300013045922	0	58	0.0	-87.97	450.88	13.69	-74.28
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300013045923	0	52	0.0	-81.58	397.60	7.28	-74.30
C=CCCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045924	0	51	0.0	-78.25	411.02	8.88	-69.37
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CF)C(=O)[O-])C=C1	REAL300013045925	0	44	0.0	-66.78	358.28	6.57	-60.21
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045926	0	57	0.0	-66.65	442.93	13.40	-53.25
CC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045927	0	47	0.0	-74.20	366.67	8.55	-65.65
CCC(CC)(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045928	0	53	0.0	-80.37	397.47	8.82	-71.55
COC1=CC=C(C(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300013045929	0	55	0.0	-80.12	442.34	8.91	-71.21
CCC(C)N(CC(=O)[O-])C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045930	0	53	0.0	-68.84	405.31	10.69	-58.15
CCC(COC)(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045931	0	54	0.0	-84.51	415.77	8.11	-76.40
CC(C)OCC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045932	0	57	0.0	-75.80	439.63	9.79	-66.01
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCS(=O)(=O)CC2)C=C1	REAL300013045933	0	54	0.0	-82.92	422.72	5.76	-77.16
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300013045934	0	51	0.0	-78.50	408.27	9.11	-69.39
COCCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045935	0	51	0.0	-78.38	410.33	6.62	-71.76
CC(C)CC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045936	0	56	0.0	-74.88	424.95	11.03	-63.85
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300013045937	0	47	0.0	-77.28	389.06	7.84	-69.44
CCCC1(C(=O)[O-])CCCN1C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045938	0	57	0.0	-87.21	427.25	12.00	-75.21
CCCN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300013045939	0	53	0.0	-74.64	406.32	10.20	-64.44
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045940	0	57	0.0	-82.34	444.54	13.23	-69.11
CCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013045941	0	57	0.0	-82.36	437.64	11.30	-71.06
COC1CCCC(C(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C1	REAL300013045942	0	61	0.0	-84.36	462.85	8.76	-75.60
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CCF)C(=O)[O-])C=C1	REAL300013045943	0	47	0.0	-76.50	382.47	7.72	-68.78
COC1(CC(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])CCC1	REAL300013045944	0	58	0.0	-79.98	446.40	8.98	-71.00
C[NH+](C)CC1=CC=C(CCNC(=O)N(CC(=O)[O-])C2CCOCC2)C=C1	REAL300013045945	0	55	0.0	-69.30	419.41	9.27	-60.03
C[NH+](C)CC1=CC=C(CCNC(=O)N(CC(=O)[O-])C2CCCCC2)C=C1	REAL300013045946	0	57	0.0	-69.45	428.31	11.64	-57.81
C[C@H]1CC[C@@](NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)(C(=O)[O-])CC1	REAL300013045947	0	57	0.0	-83.12	419.96	10.15	-72.97
COC1=CC=CC(C(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300013045948	0	55	0.0	-82.42	441.74	8.94	-73.48
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300013045949	0	50	0.0	-75.91	387.39	8.07	-67.84
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=C1	REAL300013045950	0	52	0.0	-73.08	410.17	10.24	-62.84
C[NH+](C)CC1=CC=C(CCNC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])C=C1	REAL300013045951	0	48	0.0	-77.86	389.18	9.32	-68.54
COC1=CC=CC([C@H](NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300013045952	0	55	0.0	-82.46	441.72	8.94	-73.52
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045953	0	47	0.0	-74.21	366.62	8.55	-65.66
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C1	REAL300013045954	0	57	0.0	-86.03	441.45	11.34	-74.69
COC1=CC=CC(CC(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300013045955	0	58	0.0	-83.12	464.53	9.87	-73.25
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=C1	REAL300013045956	0	60	0.0	-84.00	434.09	10.64	-73.36
C[NH+](C)CC1=CC=C(CCNC(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300013045957	0	49	0.0	-89.69	382.67	10.10	-79.59
COC1CN(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(C)(C(=O)[O-])C1	REAL300013045958	0	55	0.0	-81.44	425.38	9.05	-72.39
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2CCCOC2)C(=O)[O-])C=C1	REAL300013045959	0	58	0.0	-78.86	448.05	8.39	-70.47
C[NH+](C)CC1=CC=C(CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300013045960	0	53	0.0	-79.98	407.44	8.66	-71.32
C=C(Cl)CC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045961	0	48	0.0	-78.74	405.98	8.60	-70.14
C=C(C)CC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045962	0	51	0.0	-78.57	410.56	8.74	-69.83
C[NH+](C)CC1=CC=C(CCNC(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300013045963	0	52	0.0	-91.48	397.25	10.91	-80.57
C[NH+](C)CC1=CC=C(CCNC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300013045964	0	48	0.0	-77.91	389.21	9.32	-68.59
C[NH+](C)CC1=CC=C(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300013045965	0	48	0.0	-82.29	382.65	9.25	-73.04
C=C1C[C@@H](C(=O)[O-])N(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C1	REAL300013045966	0	49	0.0	-84.95	389.60	9.53	-75.42
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300013045967	0	58	0.0	-78.46	443.92	9.04	-69.42
CC(C)C[C@H](NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045968	0	53	0.0	-78.69	415.10	8.96	-69.73
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300013045969	0	55	0.0	-81.55	420.59	7.41	-74.14
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013045970	0	51	0.0	-80.77	412.84	9.62	-71.15
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300013045971	0	51	0.0	-78.50	408.27	9.11	-69.39
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2=CN=CS2)C(=O)[O-])C=C1	REAL300013045972	0	50	0.0	-77.31	420.79	7.75	-69.56
CC(C)CCCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045973	0	59	0.0	-78.44	458.77	10.39	-68.05
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2CCCO2)C(=O)[O-])C=C1	REAL300013045974	0	55	0.0	-82.95	432.66	8.00	-74.95
CSCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045975	0	48	0.0	-76.58	400.13	7.98	-68.60
COC[C@H](NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045976	0	48	0.0	-80.35	388.57	5.80	-74.55
CC[C@H](NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045977	0	47	0.0	-78.11	375.82	7.57	-70.54
C[NH+](C)CC1=CC=C(CCNC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300013045978	0	54	0.0	-77.43	441.31	10.70	-66.73
CCC(C)CC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045979	0	56	0.0	-78.95	433.64	9.51	-69.44
C=CCCCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045980	0	54	0.0	-77.63	431.64	9.67	-67.96
C[NH+](C)CC1=CC=C(CCNC(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300013045981	0	54	0.0	-77.31	440.61	10.65	-66.66
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCSCC2C(=O)[O-])C=C1	REAL300013045982	0	49	0.0	-84.41	386.32	10.48	-73.93
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013045983	0	54	0.0	-81.52	420.61	10.40	-71.12
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300013045984	0	48	0.0	-85.23	376.18	9.16	-76.07
CCCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045985	0	50	0.0	-78.03	397.33	8.33	-69.70
CC(C)[C@@H](NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045986	0	50	0.0	-78.44	388.15	7.96	-70.48
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=C1	REAL300013045987	0	52	0.0	-90.33	396.73	11.02	-79.31
CCN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(C)(C)C(=O)[O-]	REAL300013045988	0	53	0.0	-82.24	401.44	10.34	-71.90
CCCN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300013045989	0	53	0.0	-74.64	406.32	10.20	-64.44
C[NH+](C)CC1=CC=C(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=C1	REAL300013045990	0	47	0.0	-73.39	389.26	9.88	-63.51
C[NH+](C)CC1=CC=C(CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C=C1	REAL300013045991	0	47	0.0	-73.39	389.26	9.88	-63.51
CN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(C)(C)C(=O)[O-]	REAL300013045992	0	50	0.0	-82.28	381.89	9.44	-72.84
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300013045993	0	48	0.0	-84.81	375.46	9.47	-75.34
C[NH+](C)CC1=CC=C(CCNC(=O)N(CCN2CCOCC2)CC(=O)[O-])C=C1	REAL300013045994	0	60	0.0	-69.90	462.98	7.84	-62.06
C[NH+](C)CC1=CC=C(CCNC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C=C1	REAL300013045995	0	49	0.0	-86.51	387.44	5.77	-80.74
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013045996	0	55	0.0	-71.48	430.67	12.28	-59.20
C[C@H]1CC2=CC=CC=C2N(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)[C@H]1C(=O)[O-]	REAL300013045997	0	58	0.0	-72.53	439.30	12.61	-59.92
CCC[C@@H](NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013045998	0	50	0.0	-78.26	397.92	8.38	-69.88
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300013045999	0	56	0.0	-77.69	432.51	10.76	-66.93
C[NH+](C)CC1=CC=C(CCNC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013046000	0	51	0.0	-80.69	412.89	9.62	-71.07
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300013046001	0	56	0.0	-79.68	452.76	9.64	-70.04
C=CCCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046002	0	51	0.0	-78.25	411.02	8.88	-69.37
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300013046003	0	50	0.0	-80.85	421.41	7.63	-73.22
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCS(=O)(=O)CC2C(=O)[O-])C=C1	REAL300013046004	0	51	0.0	-92.10	405.91	7.03	-85.07
CN1CC(C(=O)[O-])N(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)CC1=O	REAL300013046005	0	52	0.0	-79.67	403.46	8.75	-70.92
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300013046006	0	51	0.0	-84.83	392.53	10.02	-74.81
CC(C)[C@H](NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046007	0	50	0.0	-77.53	390.84	8.09	-69.44
C[NH+](C)CC1=CC=C(CCNC(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013046008	0	51	0.0	-80.74	412.84	9.63	-71.11
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C)(CN2C=CC=N2)C(=O)[O-])C=C1	REAL300013046009	0	54	0.0	-81.06	426.69	8.99	-72.07
C[C@@H](C(=O)[O-])N(C)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013046010	0	47	0.0	-74.21	366.62	8.55	-65.66
CCC[C@H](NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046011	0	50	0.0	-78.54	398.21	8.32	-70.22
CCN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300013046012	0	50	0.0	-74.10	383.86	9.29	-64.81
C[NH+](C)CC1=CC=C(CCNC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300013046013	0	54	0.0	-69.00	410.92	10.93	-58.07
CC(CN(C)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046014	0	50	0.0	-76.07	387.01	9.01	-67.06
CC[C@H](C)[C@H](NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046015	0	53	0.0	-79.17	407.17	8.56	-70.61
CC[C@@H](C(=O)[O-])N(C)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013046016	0	50	0.0	-74.65	387.04	9.70	-64.95
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(CO)C2)C=C1	REAL300013046017	0	52	0.0	-84.13	410.05	5.55	-78.58
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046018	0	60	0.0	-80.53	457.10	8.74	-71.79
CC1CCC(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300013046019	0	54	0.0	-83.20	412.73	9.29	-73.91
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCC2(C)C)C=C1	REAL300013046020	0	57	0.0	-83.70	422.19	10.02	-73.68
COCCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046021	0	51	0.0	-78.38	410.33	6.62	-71.76
CN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013046022	0	57	0.0	-76.70	443.66	12.49	-64.21
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300013046023	0	54	0.0	-84.36	413.98	9.97	-74.39
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300013046024	0	51	0.0	-80.41	398.11	8.90	-71.51
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046025	0	60	0.0	-80.89	460.50	8.83	-72.06
C[NH+](C)CC1=CC=C(CCNC(=O)N2CC[C@H](O)[C@@H]2C(=O)[O-])C=C1	REAL300013046026	0	49	0.0	-90.90	386.06	5.97	-84.93
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCOC2)C=C1	REAL300013046027	0	52	0.0	-75.85	406.75	6.58	-69.27
C[NH+](C)CC1=CC=C(CCNC(=O)N2CC[C@@H]3CC[C@@]32C(=O)[O-])C=C1	REAL300013046028	0	52	0.0	-88.89	397.46	10.60	-78.29
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300013046029	0	55	0.0	-88.03	444.80	9.70	-78.33
C[NH+](C)CC1=CC=C(CCNC(=O)N2CC3CC2(C(=O)[O-])CO3)C=C1	REAL300013046030	0	50	0.0	-85.38	390.04	8.28	-77.10
CC1CCC(C(=O)[O-])N(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C1	REAL300013046031	0	54	0.0	-88.00	407.58	11.31	-76.69
CC(C1=CC=CC=C1)C(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046032	0	57	0.0	-79.05	450.31	10.98	-68.07
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300013046033	0	58	0.0	-78.09	444.69	11.42	-66.67
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300013046034	0	51	0.0	-79.35	396.33	8.51	-70.84
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1	REAL300013046035	0	57	0.0	-80.30	429.74	9.84	-70.46
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCC2)C=C1	REAL300013046036	0	51	0.0	-79.35	396.33	8.51	-70.84
CC1CCN(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C1C(=O)[O-]	REAL300013046037	0	51	0.0	-85.76	391.65	9.63	-76.13
C=CCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046038	0	48	0.0	-77.74	389.19	8.01	-69.73
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2CCCCO2)C(=O)[O-])C=C1	REAL300013046039	0	58	0.0	-81.83	450.09	8.74	-73.09
C[NH+](C)CC1=CC=C(CCNC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C=C1	REAL300013046040	0	58	0.0	-68.79	422.50	11.30	-57.49
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCOC(C)(C)C2)C=C1	REAL300013046041	0	58	0.0	-82.35	426.68	8.57	-73.78
CC1=CC=CC2=C1CCN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C2C(=O)[O-]	REAL300013046042	0	58	0.0	-73.47	445.22	12.60	-60.87
C[NH+](C)CC1=CC=C(CCNC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])C=C1	REAL300013046043	0	52	0.0	-70.32	398.05	10.49	-59.83
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300013046044	0	58	0.0	-78.09	444.69	11.42	-66.67
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300013046045	0	54	0.0	-80.54	441.27	10.70	-69.84
COC1CC(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300013046046	0	52	0.0	-85.43	411.24	7.24	-78.19
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(F)(F)C2)C=C1	REAL300013046047	0	48	0.0	-81.22	386.27	8.29	-72.93
CO[C@H]1C[C@](NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)(C(=O)[O-])C1	REAL300013046048	0	52	0.0	-82.16	410.20	7.49	-74.67
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2(C(F)(F)F)CC2)C=C1	REAL300013046049	0	51	0.0	-79.68	414.62	9.33	-70.35
CCC1(C(=O)[O-])CCCN1C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013046050	0	54	0.0	-86.84	405.70	11.23	-75.61
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300013046051	0	47	0.0	-73.29	392.59	8.25	-65.04
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300013046052	0	55	0.0	-76.39	425.85	7.29	-69.10
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])COC2)C=C1	REAL300013046053	0	46	0.0	-77.33	368.61	5.31	-72.02
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2=CC=CS2)C(=O)[O-])C=C1	REAL300013046054	0	51	0.0	-79.64	427.02	9.61	-70.03
COCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013046055	0	58	0.0	-81.18	453.85	9.63	-71.55
CC(C)C(C)(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046056	0	53	0.0	-79.78	395.78	8.54	-71.24
C[NH+](C)CC1=CC=C(CCNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300013046057	0	49	0.0	-87.83	381.48	10.59	-77.24
C[NH+](C)CC1=CC=C(CCNC(=O)N2C[C@@H]3CC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300013046058	0	52	0.0	-87.14	398.85	10.03	-77.11
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013046059	0	57	0.0	-82.34	444.54	13.23	-69.11
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300013046060	0	60	0.0	-79.36	456.99	10.75	-68.61
C[NH+](C)CC1=CC=C(CCNC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300013046061	0	57	0.0	-79.09	457.29	11.35	-67.74
C[NH+](C)CC1=CC=C(CCNC(=O)N[C@H](CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300013046062	0	57	0.0	-79.25	457.88	11.41	-67.84
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CC3CCC2C3)C=C1	REAL300013046063	0	58	0.0	-81.62	438.94	10.20	-71.42
C[NH+](C)CC1=CC=C(CCNC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300013046064	0	60	0.0	-79.05	456.75	10.82	-68.23
C[NH+](C)CC1=CC=C(CCNC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C=C1	REAL300013046065	0	60	0.0	-79.07	456.75	10.82	-68.25
C[NH+](C)CC1=CC=C(CCNC(=O)N2CC3(CCCC3)CC2C(=O)[O-])C=C1	REAL300013046066	0	58	0.0	-69.34	437.29	11.44	-57.90
C[NH+](C)CC1=CC=C(CCNC(=O)N2C[C@H]3CCCC[C@H]3[C@@H]2C(=O)[O-])C=C1	REAL300013046067	0	58	0.0	-86.79	432.92	11.23	-75.56
COC1=CC=C(CC(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300013046068	0	58	0.0	-79.92	464.58	9.86	-70.06
C=CCSCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046069	0	52	0.0	-76.11	433.73	9.45	-66.66
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2=CC=C(C#N)C=C2)C(=O)[O-])C=C1	REAL300013046070	0	55	0.0	-78.33	455.61	11.03	-67.30
CCC(C(=O)[O-])N(CC)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013046071	0	53	0.0	-81.01	402.67	11.00	-70.01
COC1(C(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])CCC1	REAL300013046072	0	55	0.0	-76.32	424.25	7.23	-69.09
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCC(C(F)F)CC2)C=C1	REAL300013046073	0	57	0.0	-82.74	438.64	10.60	-72.14
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCC3=CC=CC=C3C2)C=C1	REAL300013046074	0	58	0.0	-84.08	444.07	11.70	-72.38
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC(C(F)F)C2)C=C1	REAL300013046075	0	51	0.0	-79.29	407.89	9.00	-70.29
CC(C)C1=CC=C(C(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300013046077	0	60	0.0	-80.28	473.07	11.56	-68.72
C[NH+](C)CC1=CC=C(CCNC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300013046078	0	48	0.0	-82.29	382.65	9.25	-73.04
C[NH+](C)CC1=CC=C(CCNC(=O)N2C3C=CC(C3)C2C(=O)[O-])C=C1	REAL300013046079	0	50	0.0	-69.68	391.49	10.28	-59.40
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCC(C)(C)C2C(=O)[O-])C=C1	REAL300013046080	0	54	0.0	-86.92	411.56	10.11	-76.81
CCOC1=CC=C(C(NC(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300013046081	0	58	0.0	-79.51	463.59	9.87	-69.64
C[NH+](C)CC1=CC=C(CCNC(=O)N2CC3(CCC3)CCC2C(=O)[O-])C=C1	REAL300013046082	0	58	0.0	-88.05	432.07	12.31	-75.74
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300013046083	0	58	0.0	-79.26	453.32	11.52	-67.74
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C)(COC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300013046084	0	58	0.0	-84.98	455.30	10.67	-74.31
CC(C)CCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046085	0	56	0.0	-78.69	437.22	9.62	-69.07
C[NH+](C)CC1=CC=C(CCNC(=O)N2CC3(CCC3)CC2C(=O)[O-])C=C1	REAL300013046086	0	55	0.0	-69.49	422.35	10.95	-58.54
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2CCOC2)C(=O)[O-])C=C1	REAL300013046087	0	55	0.0	-76.39	425.85	7.29	-69.10
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C1	REAL300013046088	0	52	0.0	-82.22	418.70	10.66	-71.56
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCCC3CC32)C=C1	REAL300013046089	0	55	0.0	-82.90	414.73	10.15	-72.75
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CCC3CC32)C=C1	REAL300013046090	0	52	0.0	-84.41	399.21	9.50	-74.91
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300013046091	0	55	0.0	-83.08	420.46	9.89	-73.19
CN(C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300013046092	0	57	0.0	-76.83	444.21	12.59	-64.24
C[NH+](C)CC1=CC=C(CCNC(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C=C1	REAL300013046093	0	61	0.0	-69.42	451.35	11.93	-57.49
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCCC2)C=C1	REAL300013046094	0	54	0.0	-80.23	412.86	9.08	-71.15
CO[C@H](C)[C@H](NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046095	0	51	0.0	-80.16	406.72	6.80	-73.36
CC1[C@@H](C)[C@@]1(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046096	0	51	0.0	-85.62	399.68	9.29	-76.33
C[NH+](C)CC1=CC=C(CCNC(=O)N(CC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300013046097	0	54	0.0	-70.00	433.64	12.37	-57.63
C[NH+](C)CC1=CC=C(CCNC(=O)N2CC(C)(C)CC2C(=O)[O-])C=C1	REAL300013046098	0	54	0.0	-69.58	415.24	10.26	-59.32
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCC(F)(F)CC2C(=O)[O-])C=C1	REAL300013046099	0	51	0.0	-84.07	397.59	10.57	-73.50
C[NH+](C)CC1=CC=C(CCNC(=O)N2CCC(F)(F)C2C(=O)[O-])C=C1	REAL300013046100	0	48	0.0	-86.83	387.09	9.60	-77.23
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300013046101	0	54	0.0	-80.54	441.27	10.70	-69.84
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300013046102	0	51	0.0	-78.98	425.90	9.48	-69.50
C[NH+](C)CC1=CC=C(CCNC(=O)N2CC(F)(F)CC2(C)C(=O)[O-])C=C1	REAL300013046103	0	51	0.0	-77.12	404.60	10.13	-66.99
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC3(CC(F)(F)C3)C2)C=C1	REAL300013046104	0	55	0.0	-83.29	439.90	10.30	-72.99
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC2=CSC=C2)C(=O)[O-])C=C1	REAL300013046105	0	51	0.0	-78.98	425.90	9.48	-69.50
C[NH+](C)CC1=CC=C(CCNC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300013046106	0	55	0.0	-87.47	414.35	10.82	-76.65
COCCCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046107	0	54	0.0	-77.75	431.00	7.40	-70.35
CCCC(C(=O)[O-])N(C)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013046108	0	53	0.0	-74.82	408.54	10.47	-64.35
CCOCC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013046109	0	51	0.0	-80.44	409.88	6.76	-73.68
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C=C1	REAL300013046110	0	56	0.0	-78.91	427.25	10.01	-68.90
C[NH+](C)CC1=CC=C(CCNC(=O)NC(C(=O)[O-])C2CCCCO2)C=C1	REAL300013046111	0	55	0.0	-81.59	427.47	8.10	-73.49
C[NH+](C)CC1=CC=C(CCNC(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=C1	REAL300013046112	0	55	0.0	-82.72	430.77	10.81	-71.91
C[C@H]1OCCN(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)[C@@H]1C(=O)[O-]	REAL300013046113	0	52	0.0	-86.19	398.42	9.02	-77.17
C[NH+](C)CC1=CC=C(CCNC(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300013046114	0	48	0.0	-78.92	397.57	8.05	-70.87
C[NH+](C)CC1=CC=C(CCNC(=O)N(CC(=O)[O-])CC2=CC=CO2)C=C1	REAL300013046115	0	51	0.0	-71.04	409.62	10.26	-60.78
C[C@H](C(=O)[O-])N(C)C(=O)NCCC1=CC=C(C[NH+](C)C)C=C1	REAL300013046116	0	47	0.0	-73.86	367.68	8.62	-65.24
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NCCC2=CC=C(C[NH+](C)C)C=C2)C1	REAL300013046117	0	55	0.0	-85.55	431.26	9.13	-76.42
COC1(C)CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300013046263	0	60	0.0	-58.44	427.76	6.00	-52.44
CC(C)C[C@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046716	0	57	0.0	-71.80	423.07	9.83	-61.97
CC(C)C[C@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046716	1	57	0.0	-76.83	423.84	9.80	-67.03
C=CCOCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046717	0	56	0.0	-78.24	431.21	8.21	-70.03
C=CCOCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046717	1	56	0.0	-77.39	431.51	8.30	-69.09
C=CC(C)C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046718	0	55	0.0	-74.32	414.64	9.60	-64.72
C=CC(C)C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046718	1	55	0.0	-74.02	408.73	9.38	-64.64
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300013046719	0	59	0.0	-73.46	434.58	8.46	-65.00
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300013046719	1	59	0.0	-76.01	432.44	8.53	-67.48
COC1CCN(C(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300013046720	0	59	0.0	-86.69	424.98	10.79	-75.90
COC1CCN(C(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300013046720	1	59	0.0	-85.90	423.93	10.48	-75.42
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCCOC1	REAL300013046721	0	59	0.0	-70.65	432.61	8.52	-62.13
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCOC1	REAL300013046721	1	59	0.0	-74.81	429.82	8.39	-66.42
CC1CCN(C(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300013046722	0	58	0.0	-83.71	414.51	12.10	-71.61
CC1CCN(C(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300013046722	1	58	0.0	-84.87	414.02	12.00	-72.87
CCCN(CC(=O)[O-])C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046723	0	54	0.0	-54.24	398.80	10.78	-43.46
CCCN(CC(=O)[O-])C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046723	1	54	0.0	-53.97	404.79	11.09	-42.88
CC(C(=O)[O-])N(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300013046724	0	58	0.0	-58.55	416.40	11.45	-47.10
CC(C(=O)[O-])N(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300013046724	1	58	0.0	-61.96	415.95	11.41	-50.55
CCCN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(COC)C(=O)[O-]	REAL300013046725	0	61	0.0	-71.90	441.66	10.79	-61.11
CCCN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(COC)C(=O)[O-]	REAL300013046725	1	61	0.0	-75.52	443.66	10.82	-64.70
CCCN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300013046726	0	60	0.0	-70.55	430.14	12.06	-58.49
CCCN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(CC)C(=O)[O-]	REAL300013046726	1	60	0.0	-55.02	429.07	12.71	-42.31
CC(C)C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046727	0	54	0.0	-75.33	399.72	9.03	-66.30
CC(C)C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046727	1	54	0.0	-77.21	395.04	8.78	-68.43
O=C([O-])C1CCCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046728	0	55	0.0	-82.98	393.78	11.40	-71.58
O=C([O-])C1CCCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046728	1	55	0.0	-84.54	393.37	11.38	-73.16
O=C([O-])C1CSCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046729	0	53	0.0	-82.84	393.18	11.37	-71.47
O=C([O-])C1CSCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046729	1	53	0.0	-81.96	396.00	11.70	-70.26
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCCCC1	REAL300013046730	0	58	0.0	-76.48	413.43	10.68	-65.80
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCCCC1	REAL300013046730	1	58	0.0	-80.69	413.57	10.76	-69.93
O=C([O-])C1CCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046731	0	52	0.0	-80.35	385.05	10.06	-70.29
O=C([O-])C1CCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046731	1	52	0.0	-80.01	383.41	9.98	-70.03
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013046732	0	55	0.0	-79.62	399.63	9.52	-70.10
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013046732	1	55	0.0	-80.56	399.02	9.69	-70.87
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCCCCC1	REAL300013046733	0	61	0.0	-80.68	420.36	11.00	-69.68
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCCCCC1	REAL300013046733	1	61	0.0	-74.68	420.42	11.38	-63.30
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046734	0	58	0.0	-73.18	442.11	11.44	-61.74
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046734	1	58	0.0	-77.74	443.50	11.59	-66.15
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046735	0	58	0.0	-59.42	441.49	13.25	-46.17
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046735	1	58	0.0	-54.06	442.25	13.34	-40.72
O=C([O-])CNC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046736	0	45	0.0	-64.30	341.97	6.58	-57.72
O=C([O-])CNC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046736	1	45	0.0	-64.32	342.62	6.68	-57.64
O=C([O-])[C@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300013046737	0	55	0.0	-76.46	420.50	10.57	-65.89
O=C([O-])[C@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300013046737	1	55	0.0	-72.82	421.54	10.59	-62.23
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300013046738	0	55	0.0	-76.81	420.75	10.49	-66.32
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300013046738	1	55	0.0	-72.22	421.29	10.67	-61.55
CCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046739	0	51	0.0	-76.15	384.58	8.42	-67.73
CCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046739	1	51	0.0	-77.55	383.09	8.49	-69.06
CC(C)C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046740	0	54	0.0	-75.33	399.72	9.03	-66.30
CC(C)C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046740	1	54	0.0	-77.21	395.04	8.78	-68.43
CN(CC(=O)[O-])C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046741	0	48	0.0	-72.68	360.06	9.35	-63.33
CN(CC(=O)[O-])C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046741	1	48	0.0	-70.92	361.48	9.36	-61.56
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046742	0	58	0.0	-73.18	442.11	11.44	-61.74
O=C([O-])C(CC1=CC=CC=C1)NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046742	1	58	0.0	-77.74	443.50	11.59	-66.15
CC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046743	0	48	0.0	-65.49	362.76	7.40	-58.09
CC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046743	1	48	0.0	-66.33	362.41	7.42	-58.91
CCC(C)C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046744	0	57	0.0	-76.24	414.54	9.45	-66.79
CCC(C)C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046744	1	57	0.0	-73.20	417.04	9.70	-63.50
CN(CC(=O)[O-])C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046745	0	48	0.0	-72.68	360.06	9.35	-63.33
CN(CC(=O)[O-])C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046745	1	48	0.0	-70.92	361.48	9.36	-61.56
O=C([O-])C1CCCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046746	0	55	0.0	-82.98	393.78	11.40	-71.58
O=C([O-])C1CCCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046746	1	55	0.0	-84.54	393.37	11.38	-73.16
CCCC(C)(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046747	0	57	0.0	-72.73	409.54	9.60	-63.13
CCCC(C)(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046747	1	57	0.0	-72.89	409.56	9.59	-63.30
CC(C)N(CC(=O)[O-])C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046748	0	54	0.0	-60.22	394.31	10.64	-49.58
CC(C)N(CC(=O)[O-])C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046748	1	54	0.0	-61.64	394.61	10.73	-50.91
O=C([O-])CN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013046749	0	52	0.0	-76.64	387.50	10.63	-66.01
O=C([O-])CN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013046749	1	52	0.0	-56.42	385.18	10.90	-45.52
C=CCN(CC(=O)[O-])C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046750	0	52	0.0	-59.72	395.33	10.80	-48.92
C=CCN(CC(=O)[O-])C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046750	1	52	0.0	-55.51	394.56	10.84	-44.67
CC(C)CN(CC(=O)[O-])C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046751	0	57	0.0	-52.34	412.15	11.05	-41.29
CC(C)CN(CC(=O)[O-])C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046751	1	57	0.0	-54.85	417.66	11.35	-43.50
CC(C)(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046752	0	51	0.0	-64.26	374.65	7.86	-56.40
CC(C)(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046752	1	51	0.0	-63.33	376.10	7.90	-55.43
CC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1CC1	REAL300013046753	0	55	0.0	-77.38	397.74	9.67	-67.71
CC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1CC1	REAL300013046753	1	55	0.0	-73.74	397.35	9.59	-64.15
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CS1	REAL300013046754	0	52	0.0	-75.84	411.92	9.70	-66.14
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CS1	REAL300013046754	1	52	0.0	-77.04	411.73	9.61	-67.43
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCCCC1	REAL300013046755	0	58	0.0	-76.48	413.43	10.68	-65.80
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCCCC1	REAL300013046755	1	58	0.0	-80.69	413.57	10.76	-69.93
CC(C)N(CC(=O)[O-])C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046756	0	54	0.0	-60.22	394.31	10.64	-49.58
CC(C)N(CC(=O)[O-])C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046756	1	54	0.0	-61.64	394.61	10.73	-50.91
CCCN(CC(=O)[O-])C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046757	0	54	0.0	-54.24	398.80	10.78	-43.46
CCCN(CC(=O)[O-])C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046757	1	54	0.0	-53.97	404.79	11.09	-42.88
CCN(CC(=O)[O-])C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046758	0	51	0.0	-75.71	382.54	10.25	-65.46
CCN(CC(=O)[O-])C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046758	1	51	0.0	-76.84	381.75	10.28	-66.56
CC[C@H](C)[C@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046759	0	57	0.0	-73.10	415.83	9.38	-63.72
CC[C@H](C)[C@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046759	1	57	0.0	-76.13	414.82	9.46	-66.67
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013046760	0	55	0.0	-79.62	399.63	9.52	-70.10
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013046760	1	55	0.0	-80.56	399.02	9.69	-70.87
CCC(C)(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046761	0	54	0.0	-75.47	388.76	8.79	-66.68
CCC(C)(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046761	1	54	0.0	-75.79	389.50	8.88	-66.91
CC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013046762	0	58	0.0	-77.26	428.59	11.27	-65.99
CC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013046762	1	58	0.0	-75.17	427.89	11.32	-63.85
C[C@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046763	0	48	0.0	-64.21	362.76	7.40	-56.81
C[C@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046763	1	48	0.0	-65.69	363.41	7.49	-58.20
CCN(CC(=O)[O-])C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046764	0	51	0.0	-75.71	382.54	10.25	-65.46
CCN(CC(=O)[O-])C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046764	1	51	0.0	-76.84	381.75	10.28	-66.56
C[C@@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046765	0	48	0.0	-65.58	362.42	7.47	-58.11
C[C@@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046765	1	48	0.0	-63.88	363.31	7.48	-56.40
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013046766	0	49	0.0	-79.37	368.22	8.66	-70.71
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013046766	1	49	0.0	-77.10	369.58	8.69	-68.41
O=C([O-])C1COCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046767	0	53	0.0	-81.91	384.41	8.99	-72.92
O=C([O-])C1COCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046767	1	53	0.0	-80.95	384.65	9.04	-71.91
CN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1(C(=O)[O-])CCCCC1	REAL300013046768	0	61	0.0	-78.05	422.68	11.99	-66.06
CN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1(C(=O)[O-])CCCCC1	REAL300013046768	1	61	0.0	-75.52	424.01	12.03	-63.49
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013046769	0	52	0.0	-72.32	391.92	9.10	-63.22
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013046769	1	52	0.0	-77.17	390.87	8.96	-68.21
CN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013046770	0	58	0.0	-70.79	428.62	12.19	-58.60
CN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013046770	1	58	0.0	-75.58	432.42	12.47	-63.11
COCCN(CC(=O)[O-])C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046771	0	55	0.0	-55.18	413.91	9.42	-45.76
COCCN(CC(=O)[O-])C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046771	1	55	0.0	-61.58	409.09	9.64	-51.94
O=C([O-])[C@H]1CCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046772	0	52	0.0	-80.70	384.88	10.03	-70.67
O=C([O-])[C@H]1CCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046772	1	52	0.0	-78.47	386.06	10.00	-68.47
O=C([O-])[C@H]1CCCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046773	0	55	0.0	-82.94	393.78	11.41	-71.53
O=C([O-])[C@H]1CCCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046773	1	55	0.0	-81.01	395.34	11.44	-69.57
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046774	0	51	0.0	-69.47	374.96	9.59	-59.88
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046774	1	51	0.0	-68.25	375.31	9.53	-58.72
O=C([O-])[C@@H]1CCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046775	0	52	0.0	-83.80	383.79	10.07	-73.73
O=C([O-])[C@@H]1CCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046775	1	52	0.0	-85.10	383.60	9.99	-75.11
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCC1	REAL300013046776	0	52	0.0	-77.99	385.03	9.18	-68.81
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCC1	REAL300013046776	1	52	0.0	-81.44	384.91	9.26	-72.18
C=CCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046777	0	52	0.0	-75.39	397.62	8.93	-66.46
C=CCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046777	1	52	0.0	-70.42	398.41	9.04	-61.38
CC1(C(=O)[O-])CCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046778	0	55	0.0	-77.62	400.43	10.88	-66.74
CC1(C(=O)[O-])CCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046778	1	55	0.0	-76.32	401.07	10.95	-65.37
O=C([O-])C1CCCCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046779	0	58	0.0	-80.57	407.00	11.97	-68.60
O=C([O-])C1CCCCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046779	1	58	0.0	-82.79	406.77	12.03	-70.76
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013046780	0	52	0.0	-72.32	391.92	9.10	-63.22
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013046780	1	52	0.0	-77.17	390.87	8.96	-68.21
CC(C(=O)[O-])N(C)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046781	0	51	0.0	-71.29	375.12	9.39	-61.90
CC(C(=O)[O-])N(C)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046781	1	51	0.0	-68.25	375.31	9.53	-58.72
CCCCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046782	0	57	0.0	-72.09	427.59	9.96	-62.13
CCCCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046782	1	57	0.0	-71.23	428.35	10.07	-61.16
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046783	0	55	0.0	-82.98	400.07	11.01	-71.97
C[C@@]1(C(=O)[O-])CCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046783	1	55	0.0	-78.55	399.76	10.95	-67.60
O=C([O-])CN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300013046784	0	58	0.0	-59.97	418.43	11.94	-48.03
O=C([O-])CN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300013046784	1	58	0.0	-54.22	418.07	11.85	-42.37
COCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046785	0	52	0.0	-72.91	396.32	6.70	-66.21
COCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046785	1	52	0.0	-77.42	396.75	6.75	-70.67
CCCCCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046786	0	60	0.0	-72.03	449.09	10.74	-61.29
CCCCCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046786	1	60	0.0	-71.19	449.85	10.85	-60.34
O=C([O-])CN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300013046787	0	59	0.0	-54.03	427.39	10.13	-43.90
O=C([O-])CN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300013046787	1	59	0.0	-53.40	428.16	10.23	-43.17
CN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1(C(=O)[O-])CCCC1	REAL300013046788	0	58	0.0	-83.81	409.39	11.25	-72.56
CN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1(C(=O)[O-])CCCC1	REAL300013046788	1	58	0.0	-83.14	410.70	11.31	-71.83
CC(C(=O)[O-])N(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013046789	0	55	0.0	-60.35	401.78	10.98	-49.37
CC(C(=O)[O-])N(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013046789	1	55	0.0	-60.01	400.29	10.94	-49.07
CCC(C(=O)[O-])N(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013046790	0	58	0.0	-60.17	420.60	12.06	-48.11
CCC(C(=O)[O-])N(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013046790	1	58	0.0	-56.35	422.74	12.19	-44.16
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1F	REAL300013046791	0	55	0.0	-79.69	424.24	10.70	-68.99
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1F	REAL300013046791	1	55	0.0	-83.42	424.50	10.68	-72.74
CC1=CC=C(C(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300013046792	0	58	0.0	-73.48	442.21	11.17	-62.31
CC1=CC=C(C(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300013046792	1	58	0.0	-75.31	441.51	11.22	-64.09
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046793	0	51	0.0	-69.98	400.51	9.11	-60.87
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046793	1	51	0.0	-71.98	399.85	9.16	-62.82
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCSCC1	REAL300013046794	0	56	0.0	-72.79	411.11	10.34	-62.45
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCSCC1	REAL300013046794	1	56	0.0	-70.58	412.57	10.41	-60.17
COCC(C)(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046795	0	55	0.0	-75.64	407.01	8.07	-67.57
COCC(C)(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046795	1	55	0.0	-77.30	406.31	8.12	-69.18
CCOCC(C(=O)[O-])N(C)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046796	0	58	0.0	-73.89	426.98	9.81	-64.08
CCOCC(C(=O)[O-])N(C)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046796	1	58	0.0	-74.04	427.01	9.96	-64.08
CC(C)CN(CC(=O)[O-])C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046797	0	57	0.0	-52.34	412.15	11.05	-41.29
CC(C)CN(CC(=O)[O-])C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046797	1	57	0.0	-54.85	417.66	11.35	-43.50
O=C([O-])CN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013046798	0	52	0.0	-76.64	387.50	10.63	-66.01
O=C([O-])CN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013046798	1	52	0.0	-56.42	385.18	10.90	-45.52
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300013046799	0	53	0.0	-72.28	389.76	7.08	-65.20
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300013046799	1	53	0.0	-76.28	389.35	6.97	-69.31
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300013046800	0	61	0.0	-79.15	438.48	10.75	-68.40
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300013046800	1	61	0.0	-79.35	437.61	10.72	-68.63
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013046801	0	56	0.0	-79.43	405.55	8.14	-71.29
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013046801	1	56	0.0	-73.68	406.30	8.23	-65.45
C=CCCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046802	0	55	0.0	-71.21	418.66	9.81	-61.40
C=CCCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046802	1	55	0.0	-70.49	419.44	9.91	-60.58
O=C([O-])C(CF)NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046803	0	48	0.0	-62.56	366.69	7.39	-55.17
O=C([O-])C(CF)NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046803	1	48	0.0	-61.90	367.19	7.51	-54.39
CC(C(=O)[O-])N(C)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046804	0	51	0.0	-71.29	375.12	9.39	-61.90
CC(C(=O)[O-])N(C)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046804	1	51	0.0	-68.25	375.31	9.53	-58.72
CCC(CC)(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046805	0	57	0.0	-73.37	404.46	9.77	-63.60
CCC(CC)(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046805	1	57	0.0	-77.00	405.96	9.76	-67.24
CCC(C)N(CC(=O)[O-])C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046806	0	57	0.0	-59.00	413.25	11.57	-47.43
CCC(C)N(CC(=O)[O-])C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046806	1	57	0.0	-60.62	414.02	11.67	-48.95
CCC(COC)(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046807	0	58	0.0	-81.66	423.43	8.99	-72.67
CCC(COC)(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046807	1	58	0.0	-78.57	422.75	9.03	-69.54
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046808	0	61	0.0	-70.02	447.25	10.49	-59.53
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046808	1	61	0.0	-73.78	446.67	10.62	-63.16
O=C([O-])C(CC1CC1)NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046809	0	55	0.0	-76.96	416.30	9.98	-66.98
O=C([O-])C(CC1CC1)NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046809	1	55	0.0	-76.69	415.78	10.01	-66.68
COCCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046810	0	55	0.0	-76.15	418.03	7.54	-68.61
COCCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046810	1	55	0.0	-70.97	418.81	7.64	-63.33
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046811	0	60	0.0	-70.01	435.27	11.96	-58.05
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046811	1	60	0.0	-74.86	434.37	11.94	-62.92
O=C([O-])C(CC(F)F)NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046812	0	51	0.0	-76.13	396.94	8.70	-67.43
O=C([O-])C(CC(F)F)NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046812	1	51	0.0	-73.10	394.54	9.00	-64.10
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046813	0	61	0.0	-81.73	434.49	12.96	-68.77
CCCC1(C(=O)[O-])CCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046813	1	61	0.0	-83.63	438.35	12.86	-70.77
CCCN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300013046814	0	57	0.0	-75.39	417.16	11.79	-63.60
CCCN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300013046814	1	57	0.0	-54.90	415.24	11.94	-42.96
O=C([O-])C(CCF)NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046815	0	51	0.0	-75.25	391.18	8.56	-66.69
O=C([O-])C(CCF)NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046815	1	51	0.0	-69.61	391.71	8.72	-60.89
O=C([O-])CN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300013046816	0	59	0.0	-54.03	427.39	10.13	-43.90
O=C([O-])CN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300013046816	1	59	0.0	-53.40	428.16	10.23	-43.17
O=C([O-])CN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300013046817	0	61	0.0	-54.28	435.82	12.65	-41.63
O=C([O-])CN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300013046817	1	61	0.0	-54.83	435.42	12.55	-42.28
C[C@H]1CC[C@@](NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300013046818	0	61	0.0	-80.18	427.93	11.00	-69.18
C[C@H]1CC[C@@](NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300013046818	1	61	0.0	-81.24	427.06	11.06	-70.18
CC(CCF)(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046819	0	54	0.0	-68.24	395.35	8.93	-59.31
CC(CCF)(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046819	1	54	0.0	-67.33	396.09	9.02	-58.31
O=C([O-])C1C2=C(CCN1C(=O)NC1CCCC[N@H+](CC3=CC=CC=C3)C1)OC=C2	REAL300013046820	0	56	0.0	-58.50	418.17	11.11	-47.39
O=C([O-])C1C2=C(CCN1C(=O)NC1CCCC[N@@H+](CC3=CC=CC=C3)C1)OC=C2	REAL300013046820	1	56	0.0	-63.47	417.66	11.23	-52.24
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046821	0	52	0.0	-74.42	398.12	10.23	-64.19
O=C([O-])[C@H]1CC(F)(F)CN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046821	1	52	0.0	-75.49	397.91	10.13	-65.36
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046822	0	51	0.0	-68.53	375.64	9.50	-59.03
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046822	1	51	0.0	-72.59	375.30	9.53	-63.06
O=C([O-])C12CC(C1)CN2C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046823	0	53	0.0	-84.60	387.96	11.09	-73.51
O=C([O-])C12CC(C1)CN2C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046823	1	53	0.0	-88.40	391.00	10.97	-77.43
COC1CN(C(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300013046824	0	59	0.0	-83.71	433.32	9.97	-73.74
COC1CN(C(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300013046824	1	59	0.0	-82.29	431.57	10.01	-72.28
CC(C)(C)[C@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046825	0	57	0.0	-73.36	415.38	9.53	-63.83
CC(C)(C)[C@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046825	1	57	0.0	-77.73	416.16	9.63	-68.10
C=C(Cl)CC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046826	0	52	0.0	-71.64	413.05	9.55	-62.09
C=C(Cl)CC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046826	1	52	0.0	-66.66	413.59	9.70	-56.96
C=C(C)CC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046827	0	55	0.0	-76.44	417.49	9.79	-66.65
C=C(C)CC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046827	1	55	0.0	-72.04	418.54	9.81	-62.23
O=C([O-])C12CCC(CC1)N2C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046828	0	56	0.0	-85.76	403.45	11.78	-73.98
O=C([O-])C12CCC(CC1)N2C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046828	1	56	0.0	-88.27	402.52	11.82	-76.45
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046829	0	52	0.0	-73.82	398.63	10.09	-63.73
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046829	1	52	0.0	-76.59	397.99	10.19	-66.40
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046830	0	52	0.0	-82.86	391.50	10.10	-72.76
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046830	1	52	0.0	-77.01	390.18	10.14	-66.87
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013046831	0	53	0.0	-78.44	397.60	10.40	-68.04
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013046831	1	53	0.0	-83.16	398.00	10.47	-72.69
CC(C)C[C@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046832	0	57	0.0	-71.80	423.07	9.83	-61.97
CC(C)C[C@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046832	1	57	0.0	-76.83	423.84	9.80	-67.03
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300013046833	0	59	0.0	-73.46	434.58	8.46	-65.00
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300013046833	1	59	0.0	-76.01	432.44	8.53	-67.48
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300013046834	0	55	0.0	-76.81	420.75	10.49	-66.32
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300013046834	1	55	0.0	-72.22	421.29	10.67	-61.55
O=C([O-])C(CC1CC1)NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046835	0	55	0.0	-76.96	416.30	9.98	-66.98
O=C([O-])C(CC1CC1)NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046835	1	55	0.0	-76.69	415.78	10.01	-66.68
CC(C)CCCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046836	0	63	0.0	-72.07	466.66	11.25	-60.82
CC(C)CCCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046836	1	63	0.0	-70.59	467.18	11.42	-59.17
O=C([O-])C(CC1CCCO1)NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046837	0	59	0.0	-75.24	438.51	9.48	-65.76
O=C([O-])C(CC1CCCO1)NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046837	1	59	0.0	-78.00	440.44	8.80	-69.20
CSCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046838	0	52	0.0	-69.72	408.06	8.83	-60.89
CSCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046838	1	52	0.0	-73.25	408.85	8.93	-64.32
COC[C@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046839	0	52	0.0	-72.93	396.31	6.70	-66.23
COC[C@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046839	1	52	0.0	-77.95	397.23	6.76	-71.19
CC[C@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046840	0	51	0.0	-77.15	383.94	8.52	-68.63
CC[C@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046840	1	51	0.0	-75.81	384.31	8.52	-67.29
CCC(C)CC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046841	0	60	0.0	-76.81	441.66	10.38	-66.43
CCC(C)CC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046841	1	60	0.0	-71.26	442.21	10.54	-60.72
C=CCCCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046842	0	58	0.0	-71.66	440.40	10.52	-61.14
C=CCCCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046842	1	58	0.0	-71.29	441.18	10.62	-60.67
O=C([O-])C1CSCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046843	0	53	0.0	-82.84	393.18	11.37	-71.47
O=C([O-])C1CSCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046843	1	53	0.0	-81.96	396.00	11.70	-70.26
CC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013046844	0	58	0.0	-77.26	428.59	11.27	-65.99
CC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013046844	1	58	0.0	-75.17	427.89	11.32	-63.85
O=C([O-])[C@H]1CCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046845	0	52	0.0	-80.70	384.88	10.03	-70.67
O=C([O-])[C@H]1CCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046845	1	52	0.0	-78.47	386.06	10.00	-68.47
CCCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046846	0	54	0.0	-76.15	406.09	9.18	-66.97
CCCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046846	1	54	0.0	-73.22	405.18	9.29	-63.93
CC(C)[C@@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046847	0	54	0.0	-76.58	401.63	8.99	-67.59
CC(C)[C@@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046847	1	54	0.0	-71.59	397.48	8.85	-62.74
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046848	0	56	0.0	-85.33	405.75	11.83	-73.50
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046848	1	56	0.0	-86.87	404.31	12.00	-74.87
CCN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300013046849	0	57	0.0	-78.93	409.29	11.17	-67.76
CCN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300013046849	1	57	0.0	-79.38	410.05	11.29	-68.09
CCCN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300013046850	0	57	0.0	-75.39	417.16	11.79	-63.60
CCCN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300013046850	1	57	0.0	-54.90	415.24	11.94	-42.96
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046851	0	51	0.0	-70.37	397.15	10.74	-59.63
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046851	1	51	0.0	-71.52	396.36	10.77	-60.75
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046852	0	51	0.0	-70.37	397.15	10.74	-59.63
O=C([O-])CN(CC(F)(F)F)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046852	1	51	0.0	-71.52	396.36	10.77	-60.75
CN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300013046853	0	54	0.0	-75.11	389.74	10.32	-64.79
CN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300013046853	1	54	0.0	-75.74	389.16	10.46	-65.28
O=C([O-])[C@@H]1CCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046854	0	52	0.0	-83.80	383.79	10.07	-73.73
O=C([O-])[C@@H]1CCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046854	1	52	0.0	-85.10	383.60	9.99	-75.11
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046855	0	53	0.0	-81.95	394.62	6.67	-75.28
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046855	1	53	0.0	-86.19	394.74	6.78	-79.41
CCC[C@@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046856	0	54	0.0	-76.13	406.09	9.19	-66.94
CCC[C@@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046856	1	54	0.0	-71.31	406.87	9.28	-62.03
O=C([O-])[C@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300013046857	0	55	0.0	-76.46	420.50	10.57	-65.89
O=C([O-])[C@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300013046857	1	55	0.0	-72.82	421.54	10.59	-62.23
C=CCCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046858	0	55	0.0	-71.21	418.66	9.81	-61.40
C=CCCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046858	1	55	0.0	-70.49	419.44	9.91	-60.58
CN1CC(C(=O)[O-])N(C(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC1=O	REAL300013046859	0	56	0.0	-76.64	411.19	9.78	-66.86
CN1CC(C(=O)[O-])N(C(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC1=O	REAL300013046859	1	56	0.0	-76.69	410.59	9.60	-67.09
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046860	0	55	0.0	-78.31	399.98	11.01	-67.30
C[C@]1(C(=O)[O-])CCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046860	1	55	0.0	-83.06	399.99	11.01	-72.05
CC(C)[C@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046861	0	54	0.0	-75.79	398.11	9.07	-66.72
CC(C)[C@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046861	1	54	0.0	-74.98	399.32	9.05	-65.93
O=C([O-])[C@@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300013046862	0	55	0.0	-72.61	420.16	10.53	-62.08
O=C([O-])[C@@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300013046862	1	55	0.0	-76.69	421.28	10.67	-66.02
CC(CN1C=CC=N1)(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046863	0	58	0.0	-71.43	434.53	9.87	-61.56
CC(CN1C=CC=N1)(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046863	1	58	0.0	-76.83	429.46	9.88	-66.95
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046864	0	51	0.0	-68.53	375.64	9.50	-59.03
C[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046864	1	51	0.0	-72.59	375.30	9.53	-63.06
CCC[C@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046865	0	54	0.0	-71.19	405.30	9.22	-61.97
CCC[C@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046865	1	54	0.0	-76.41	406.64	9.26	-67.15
CCN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300013046866	0	54	0.0	-73.78	394.85	11.06	-62.72
CCN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300013046866	1	54	0.0	-71.71	396.11	11.03	-60.68
O=C([O-])CN(C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300013046867	0	58	0.0	-59.97	418.43	11.94	-48.03
O=C([O-])CN(C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300013046867	1	58	0.0	-54.22	418.07	11.85	-42.37
CC(CN(C)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046868	0	54	0.0	-76.17	395.86	9.95	-66.22
CC(CN(C)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046868	1	54	0.0	-77.35	394.17	9.95	-67.40
CC[C@H](C)[C@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046869	0	57	0.0	-73.10	415.83	9.38	-63.72
CC[C@H](C)[C@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046869	1	57	0.0	-76.13	414.82	9.46	-66.67
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046870	0	54	0.0	-69.18	395.00	10.59	-58.59
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046870	1	54	0.0	-73.29	395.75	10.67	-62.62
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC(CO)C1	REAL300013046871	0	56	0.0	-80.97	417.70	6.51	-74.46
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC(CO)C1	REAL300013046871	1	56	0.0	-78.46	417.17	6.45	-72.01
CC1CCC(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300013046872	0	58	0.0	-80.38	420.12	10.24	-70.14
CC1CCC(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300013046872	1	58	0.0	-76.85	418.93	10.20	-66.65
CC1(C)CCCC1(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046873	0	61	0.0	-79.96	430.13	10.88	-69.08
CC1(C)CCCC1(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046873	1	61	0.0	-80.40	430.99	10.99	-69.41
COCCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046874	0	55	0.0	-76.15	418.03	7.54	-68.61
COCCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046874	1	55	0.0	-70.97	418.81	7.64	-63.33
CC1(C)CC(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300013046875	0	58	0.0	-82.52	421.80	10.91	-71.61
CC1(C)CC(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300013046875	1	58	0.0	-81.56	423.04	10.90	-70.66
CC1(C(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300013046876	0	55	0.0	-77.56	412.75	9.69	-67.87
CC1(C(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300013046876	1	55	0.0	-75.03	405.41	9.81	-65.22
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046877	0	53	0.0	-85.37	393.36	6.87	-78.50
O=C([O-])[C@H]1[C@@H](O)CCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046877	1	53	0.0	-85.30	393.40	6.86	-78.44
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCOC1	REAL300013046878	0	56	0.0	-74.54	419.47	7.62	-66.92
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCOC1	REAL300013046878	1	56	0.0	-75.11	417.60	7.56	-67.55
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046879	0	56	0.0	-82.28	405.41	11.48	-70.80
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046879	1	56	0.0	-83.44	405.02	11.58	-71.86
O=C([O-])C12COC(CN1C(=O)NC1CCCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300013046880	0	54	0.0	-81.93	397.43	9.26	-72.67
O=C([O-])C12COC(CN1C(=O)NC1CCCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300013046880	1	54	0.0	-82.89	396.51	9.25	-73.64
CC1CCC(C(=O)[O-])N(C(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013046881	0	58	0.0	-82.73	414.91	11.97	-70.76
CC1CCC(C(=O)[O-])N(C(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013046881	1	58	0.0	-85.05	409.54	12.22	-72.83
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046882	0	62	0.0	-77.57	451.94	12.28	-65.29
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046882	1	62	0.0	-77.42	456.54	11.65	-65.77
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300013046883	0	55	0.0	-72.83	403.83	9.51	-63.32
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300013046883	1	55	0.0	-78.21	404.13	9.40	-68.81
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300013046884	0	61	0.0	-79.15	438.48	10.75	-68.40
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300013046884	1	61	0.0	-79.35	437.61	10.72	-68.63
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300013046885	0	55	0.0	-72.83	403.83	9.51	-63.32
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCC1	REAL300013046885	1	55	0.0	-78.21	404.13	9.40	-68.81
CC1CCN(C(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300013046886	0	55	0.0	-79.38	404.76	10.61	-68.77
CC1CCN(C(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300013046886	1	55	0.0	-77.88	399.38	10.78	-67.10
C=CCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046887	0	52	0.0	-75.39	397.62	8.93	-66.46
C=CCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046887	1	52	0.0	-70.42	398.41	9.04	-61.38
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046888	0	62	0.0	-46.56	429.92	12.27	-34.29
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046888	1	62	0.0	-47.59	429.73	12.18	-35.41
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046889	0	56	0.0	-54.37	406.16	11.37	-43.00
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046889	1	56	0.0	-55.52	405.76	11.49	-44.03
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046890	0	62	0.0	-77.57	451.94	12.28	-65.29
O=C([O-])C(CC1CC=CCC1)NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046890	1	62	0.0	-77.42	456.54	11.65	-65.77
COC1CC(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300013046891	0	56	0.0	-84.12	419.18	8.18	-75.94
COC1CC(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300013046891	1	56	0.0	-80.73	418.35	8.11	-72.62
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300013046892	0	52	0.0	-80.17	394.16	9.24	-70.93
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300013046892	1	52	0.0	-72.50	399.19	9.49	-63.01
CO[C@H]1C[C@](NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300013046893	0	56	0.0	-73.56	416.85	8.12	-65.44
CO[C@H]1C[C@](NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300013046893	1	56	0.0	-79.77	417.31	8.40	-71.37
CCC1(C(=O)[O-])CCCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046894	0	58	0.0	-77.89	416.37	12.04	-65.85
CCC1(C(=O)[O-])CCCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046894	1	58	0.0	-83.46	416.77	12.12	-71.34
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046895	0	51	0.0	-69.98	400.51	9.11	-60.87
O=C([O-])C(CC(F)(F)F)NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046895	1	51	0.0	-71.98	399.85	9.16	-62.82
O=C([O-])C(CC1CCOC1)NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046896	0	59	0.0	-70.62	435.30	9.28	-61.34
O=C([O-])C(CC1CCOC1)NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046896	1	59	0.0	-75.50	434.22	9.10	-66.40
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)COC1	REAL300013046897	0	50	0.0	-74.44	376.37	6.17	-68.27
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)COC1	REAL300013046897	1	50	0.0	-69.99	377.20	6.25	-63.74
CC(C)C(C)(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046898	0	57	0.0	-72.17	405.50	9.48	-62.69
CC(C)C(C)(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046898	1	57	0.0	-70.74	404.43	9.51	-61.23
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046899	0	53	0.0	-85.59	390.12	11.52	-74.07
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046899	1	53	0.0	-83.81	391.38	11.53	-72.28
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046900	0	56	0.0	-81.14	406.12	11.19	-69.95
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046900	1	56	0.0	-85.50	406.06	11.14	-74.36
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC2CCC1C2	REAL300013046901	0	62	0.0	-74.49	442.90	10.92	-63.57
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC2CCC1C2	REAL300013046901	1	62	0.0	-79.97	443.22	11.19	-68.78
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046902	0	62	0.0	-48.66	444.65	12.44	-36.22
O=C([O-])C1CC2(CCCC2)CN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046902	1	62	0.0	-49.63	445.21	12.30	-37.33
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046903	0	62	0.0	-81.35	442.48	12.40	-68.95
O=C([O-])[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046903	1	62	0.0	-85.96	442.32	12.28	-73.68
C=CCSCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046904	0	56	0.0	-72.61	442.33	10.29	-62.32
C=CCSCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046904	1	56	0.0	-72.47	442.46	10.43	-62.04
CCC(C(=O)[O-])N(CC)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046905	0	57	0.0	-78.50	411.32	11.87	-66.63
CCC(C(=O)[O-])N(CC)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046905	1	57	0.0	-74.26	410.40	11.41	-62.85
COC1(C(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300013046906	0	59	0.0	-73.46	431.76	8.22	-65.24
COC1(C(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])CCC1	REAL300013046906	1	59	0.0	-70.34	427.91	8.11	-62.23
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC(C(F)F)C1	REAL300013046907	0	55	0.0	-84.68	417.29	10.07	-74.61
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC(C(F)F)C1	REAL300013046907	1	55	0.0	-73.24	415.02	9.90	-63.34
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046909	0	52	0.0	-82.86	391.50	10.10	-72.76
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046909	1	52	0.0	-77.01	390.18	10.14	-66.87
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046910	0	54	0.0	-55.31	398.96	11.32	-43.99
O=C([O-])C1C2C=CC(C2)N1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046910	1	54	0.0	-50.02	398.20	11.23	-38.79
CC1(C)CCN(C(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300013046911	0	58	0.0	-80.65	416.89	11.21	-69.44
CC1(C)CCN(C(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1C(=O)[O-]	REAL300013046911	1	58	0.0	-80.52	414.84	11.32	-69.20
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046912	0	62	0.0	-83.56	438.13	12.99	-70.57
O=C([O-])C1CCC2(CCC2)CN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046912	1	62	0.0	-83.85	439.03	13.11	-70.74
CC(C)CCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046913	0	60	0.0	-75.87	444.91	10.54	-65.33
CC(C)CCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046913	1	60	0.0	-70.79	445.69	10.64	-60.15
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046914	0	59	0.0	-48.36	431.15	11.86	-36.50
O=C([O-])C1CC2(CCC2)CN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046914	1	59	0.0	-55.63	430.29	11.81	-43.82
O=C([O-])C(CC1CCOC1)NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046915	0	59	0.0	-70.62	435.30	9.28	-61.34
O=C([O-])C(CC1CCOC1)NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046915	1	59	0.0	-75.50	434.22	9.10	-66.40
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013046916	0	56	0.0	-76.82	426.42	11.49	-65.33
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013046916	1	56	0.0	-80.21	427.18	11.57	-68.64
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCCC2CC21	REAL300013046917	0	59	0.0	-82.02	419.99	11.28	-70.74
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCCC2CC21	REAL300013046917	1	59	0.0	-73.58	423.41	11.10	-62.48
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCC2CC21	REAL300013046918	0	56	0.0	-78.62	406.20	10.47	-68.15
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCC2CC21	REAL300013046918	1	56	0.0	-76.78	407.93	10.21	-66.57
O=C([O-])C1(NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC2(CCC2)C1	REAL300013046919	0	59	0.0	-76.72	427.39	10.80	-65.92
O=C([O-])C1(NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC2(CCC2)C1	REAL300013046919	1	59	0.0	-73.97	428.63	10.82	-63.15
O=C([O-])C(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300013046920	0	58	0.0	-77.34	420.86	9.93	-67.41
O=C([O-])C(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300013046920	1	58	0.0	-78.35	420.16	10.03	-68.32
CO[C@H](C)[C@H](NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046921	0	55	0.0	-72.28	414.11	7.67	-64.61
CO[C@H](C)[C@H](NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046921	1	55	0.0	-77.40	415.24	7.82	-69.58
CC1[C@@H](C)[C@@]1(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046922	0	55	0.0	-75.75	398.75	9.65	-66.10
CC1[C@@H](C)[C@@]1(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046922	1	55	0.0	-79.21	402.93	10.00	-69.21
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046923	0	58	0.0	-59.42	441.49	13.25	-46.17
O=C([O-])CN(CC1=CC=CC=C1)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046923	1	58	0.0	-54.06	442.25	13.34	-40.72
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013046924	0	58	0.0	-54.68	424.09	11.10	-43.58
CC1(C)CC(C(=O)[O-])N(C(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013046924	1	58	0.0	-55.52	422.63	11.26	-44.26
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046925	0	55	0.0	-81.45	405.66	11.46	-69.99
O=C([O-])C1CC(F)(F)CCN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046925	1	55	0.0	-83.64	405.47	11.84	-71.80
O=C([O-])C1N(C(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300013046926	0	52	0.0	-87.95	395.52	10.20	-77.75
O=C([O-])C1N(C(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCC1(F)F	REAL300013046926	1	52	0.0	-85.33	396.20	10.08	-75.25
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046927	0	55	0.0	-72.19	412.05	11.15	-61.04
CC1(C(=O)[O-])CC(F)(F)CN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046927	1	55	0.0	-77.30	412.25	11.19	-66.11
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046928	0	59	0.0	-82.34	421.07	11.75	-70.59
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046928	1	59	0.0	-86.31	420.29	11.56	-74.75
COCCCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046929	0	58	0.0	-71.11	439.52	8.32	-62.79
COCCCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046929	1	58	0.0	-70.26	440.29	8.42	-61.84
CCCC(C(=O)[O-])N(C)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046930	0	57	0.0	-73.31	416.51	11.19	-62.12
CCCC(C(=O)[O-])N(C)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046930	1	57	0.0	-73.41	417.02	11.43	-61.98
CCOCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046931	0	55	0.0	-77.83	418.31	7.64	-70.19
CCOCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046931	1	55	0.0	-78.25	419.09	7.73	-70.52
CC(C)(C)CC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046932	0	60	0.0	-76.44	435.18	10.88	-65.56
CC(C)(C)CC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046932	1	60	0.0	-77.42	436.20	10.91	-66.51
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C[C@H]1OCCN(C(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300013046934	0	56	0.0	-81.22	405.17	9.62	-71.60
C[C@H]1OCCN(C(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)[C@@H]1C(=O)[O-]	REAL300013046934	1	56	0.0	-83.44	405.40	10.01	-73.43
N#CCCC(NC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046935	0	52	0.0	-72.86	404.62	8.94	-63.92
N#CCCC(NC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013046935	1	52	0.0	-80.15	404.78	8.97	-71.18
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046936	0	55	0.0	-61.43	422.46	11.42	-50.01
O=C([O-])CN(CC1=CC=CO1)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046936	1	55	0.0	-56.84	422.36	11.42	-45.42
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013046937	0	51	0.0	-69.47	374.96	9.59	-59.88
C[C@H](C(=O)[O-])N(C)C(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013046937	1	51	0.0	-68.25	375.31	9.53	-58.72
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013046938	0	59	0.0	-79.27	439.22	10.01	-69.26
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013046938	1	59	0.0	-79.79	439.17	10.20	-69.59
CCC1=CSC(CCNC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])=N1	REAL300013047334	0	55	0.0	-59.78	435.21	6.44	-53.34
CCCOC1CCC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])CC1	REAL300013047897	0	63	0.0	-62.08	469.32	7.87	-54.21
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2C[C@H](C(F)(F)F)C2)CC1	REAL300013048157	0	50	0.0	-57.64	391.15	6.61	-51.03
COC1=CC=C(C(C)NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C=N1	REAL300013048432	0	56	0.0	-64.34	435.79	4.94	-59.40
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2(N3N=CC=N3)CC2)CC1	REAL300013048686	0	53	0.0	-65.43	418.25	5.18	-60.25
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCCC3(CCCCC3)C2)CC1	REAL300013048982	0	66	0.0	-59.12	455.72	9.18	-49.94
CCC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1COCCO1	REAL300013049550	0	58	0.0	-62.28	429.37	5.07	-57.21
CC(NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CN=CN1C	REAL300013049784	0	53	0.0	-68.09	410.58	7.33	-60.76
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=NC=C(C(F)F)C=N2)CC1	REAL300013050064	0	51	0.0	-66.34	415.53	5.52	-60.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NCC2=CC=C(C#CC3CC3)C=C2)CC1	REAL300013050604	0	59	0.0	-64.68	472.21	11.15	-53.53
CN1C=CN=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013050815	0	50	0.0	-70.16	390.84	5.75	-64.41
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC[Si]3(CCCC3)CC2)CC1	REAL300013051073	0	63	0.0	-60.46	460.00	10.89	-49.57
CC[N@H+](CCNC(=O)N1CCCC1C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051484	0	48	0.0	-78.20	389.98	9.99	-68.21
CC[N@@H+](CCNC(=O)N1CCCC1C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051484	1	48	0.0	-76.64	389.25	9.94	-66.70
CC[N@H+](CCNC(=O)NCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051485	0	41	0.0	-66.79	348.34	6.23	-60.56
CC[N@@H+](CCNC(=O)NCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051485	1	41	0.0	-66.27	342.37	5.87	-60.40
CCC(NC(=O)NCC[N@H+](CC)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300013051486	0	47	0.0	-75.12	384.74	7.79	-67.33
CCC(NC(=O)NCC[N@@H+](CC)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300013051486	1	47	0.0	-75.19	390.72	8.13	-67.06
CC[N@H+](CCNC(=O)N(C)CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051487	0	44	0.0	-75.04	367.08	8.90	-66.14
CC[N@@H+](CCNC(=O)N(C)CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051487	1	44	0.0	-75.03	361.11	8.55	-66.48
CC[N@H+](CCNC(=O)NC(C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051488	0	44	0.0	-67.69	369.13	7.05	-60.64
CC[N@@H+](CCNC(=O)NC(C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051488	1	44	0.0	-66.54	363.16	6.70	-59.84
CC[N@H+](CCNC(=O)N(C)CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051489	0	44	0.0	-75.04	367.08	8.90	-66.14
CC[N@@H+](CCNC(=O)N(C)CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051489	1	44	0.0	-75.03	361.11	8.55	-66.48
CC[N@H+](CCNC(=O)N(CC(=O)[O-])C1CC1)CC1=CC=CC(Br)=C1	REAL300013051490	0	48	0.0	-61.30	392.07	10.40	-50.90
CC[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CC1)CC1=CC=CC(Br)=C1	REAL300013051490	1	48	0.0	-57.86	391.10	10.38	-47.48
C=CCN(CC(=O)[O-])C(=O)NCC[N@@H+](CC)CC1=CC=CC(Br)=C1	REAL300013051491	0	48	0.0	-59.63	401.70	10.44	-49.19
C=CCN(CC(=O)[O-])C(=O)NCC[N@H+](CC)CC1=CC=CC(Br)=C1	REAL300013051491	1	48	0.0	-57.90	395.73	10.09	-47.81
CC[N@H+](CCNC(=O)NC(C)(C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051492	0	47	0.0	-66.20	381.70	7.45	-58.75
CC[N@@H+](CCNC(=O)NC(C)(C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051492	1	47	0.0	-65.42	375.73	7.10	-58.32
CCN(CC(=O)[O-])C(=O)NCC[N@H+](CC)CC1=CC=CC(Br)=C1	REAL300013051493	0	47	0.0	-75.33	382.92	9.53	-65.80
CCN(CC(=O)[O-])C(=O)NCC[N@@H+](CC)CC1=CC=CC(Br)=C1	REAL300013051493	1	47	0.0	-75.18	388.89	9.88	-65.30
CC[N@H+](CCNC(=O)N[C@@H](C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051494	0	44	0.0	-66.64	368.97	7.06	-59.58
CC[N@@H+](CCNC(=O)N[C@@H](C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051494	1	44	0.0	-66.55	363.16	6.70	-59.85
CCN(CC(=O)[O-])C(=O)NCC[N@H+](CC)CC1=CC=CC(Br)=C1	REAL300013051495	0	47	0.0	-75.33	382.92	9.53	-65.80
CCN(CC(=O)[O-])C(=O)NCC[N@@H+](CC)CC1=CC=CC(Br)=C1	REAL300013051495	1	47	0.0	-75.18	388.89	9.88	-65.30
CC[N@H+](CCNC(=O)N[C@H](C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051496	0	44	0.0	-68.15	369.71	7.01	-61.14
CC[N@@H+](CCNC(=O)N[C@H](C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051496	1	44	0.0	-67.45	363.47	6.67	-60.78
CC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC1)CC1=CC=CC(Br)=C1	REAL300013051497	0	45	0.0	-77.56	375.29	8.26	-69.30
CC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC1)CC1=CC=CC(Br)=C1	REAL300013051497	1	45	0.0	-75.91	375.02	8.25	-67.66
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CC1)CC1=CC=CC(Br)=C1	REAL300013051498	0	48	0.0	-72.33	397.89	8.55	-63.78
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CC1)CC1=CC=CC(Br)=C1	REAL300013051498	1	48	0.0	-73.85	397.07	8.55	-65.30
CC[N@H+](CCNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051499	0	48	0.0	-82.77	390.49	9.64	-73.13
CC[N@@H+](CCNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051499	1	48	0.0	-82.03	390.22	9.63	-72.40
CC[N@H+](CCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051500	0	47	0.0	-73.27	380.94	8.97	-64.30
CC[N@@H+](CCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051500	1	47	0.0	-70.00	380.65	9.04	-60.96
CC[N@H+](CCNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051501	0	48	0.0	-79.59	390.03	9.98	-69.61
CC[N@@H+](CCNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051501	1	48	0.0	-79.84	389.45	9.95	-69.89
CC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC1)CC1=CC=CC(Br)=C1	REAL300013051502	0	48	0.0	-78.66	392.36	8.79	-69.87
CC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC1)CC1=CC=CC(Br)=C1	REAL300013051502	1	48	0.0	-76.03	391.82	8.77	-67.26
C=CCC(NC(=O)NCC[N@@H+](CC)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300013051503	0	48	0.0	-74.88	404.00	8.59	-66.29
C=CCC(NC(=O)NCC[N@H+](CC)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300013051503	1	48	0.0	-74.93	398.02	8.24	-66.69
CC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CC1)CC1=CC=CC(Br)=C1	REAL300013051504	0	48	0.0	-72.33	397.89	8.55	-63.78
CC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CC1)CC1=CC=CC(Br)=C1	REAL300013051504	1	48	0.0	-73.85	397.07	8.55	-65.30
CC[N@H+](CCNC(=O)N(C)C(C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051505	0	47	0.0	-70.84	380.91	9.07	-61.77
CC[N@@H+](CCNC(=O)N(C)C(C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051505	1	47	0.0	-71.58	374.94	8.72	-62.86
CC[N@H+](CCNC(=O)N(CC(=O)[O-])C1CC1)CC1=CC=CC(Br)=C1	REAL300013051506	0	48	0.0	-61.30	392.07	10.40	-50.90
CC[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CC1)CC1=CC=CC(Br)=C1	REAL300013051506	1	48	0.0	-57.86	391.10	10.38	-47.48
CC[N@H+](CCNC(=O)NC(CF)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051507	0	44	0.0	-65.18	373.06	7.04	-58.14
CC[N@@H+](CCNC(=O)NC(CF)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051507	1	44	0.0	-64.65	367.09	6.70	-57.95
CC[N@H+](CCNC(=O)N(C)C(C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051508	0	47	0.0	-70.84	380.91	9.07	-61.77
CC[N@@H+](CCNC(=O)N(C)C(C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051508	1	47	0.0	-71.58	374.94	8.72	-62.86
CC[N@H+](CCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051509	0	47	0.0	-70.43	381.99	9.12	-61.31
CC[N@@H+](CCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051509	1	47	0.0	-68.88	381.21	9.01	-59.87
CC[C@H](NC(=O)NCC[N@H+](CC)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300013051510	0	47	0.0	-74.51	384.99	7.73	-66.78
CC[C@H](NC(=O)NCC[N@@H+](CC)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300013051510	1	47	0.0	-72.86	390.72	8.13	-64.73
CC[N@H+](CCNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051511	0	48	0.0	-82.77	390.49	9.64	-73.13
CC[N@@H+](CCNC(=O)N1CCC[C@@H]1C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051511	1	48	0.0	-82.03	390.22	9.63	-72.40
CC[N@H+](CCNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051512	0	48	0.0	-79.59	390.03	9.98	-69.61
CC[N@@H+](CCNC(=O)N1CCC[C@H]1C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051512	1	48	0.0	-79.84	389.45	9.95	-69.89
CC[N@H+](CCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051513	0	47	0.0	-70.43	381.99	9.12	-61.31
CC[N@@H+](CCNC(=O)N(C)[C@@H](C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051513	1	47	0.0	-68.88	381.21	9.01	-59.87
C=CCC(NC(=O)NCC[N@@H+](CC)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300013051514	0	48	0.0	-74.88	404.00	8.59	-66.29
C=CCC(NC(=O)NCC[N@H+](CC)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300013051514	1	48	0.0	-74.93	398.02	8.24	-66.69
CC[N@H+](CCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051515	0	47	0.0	-73.27	380.94	8.97	-64.30
CC[N@@H+](CCNC(=O)N(C)[C@H](C)C(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013051515	1	47	0.0	-70.00	380.65	9.04	-60.96
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2CC[C@H](OC(C)(C)C)CC2)CC1	REAL300013051699	0	66	0.0	-62.00	481.18	8.05	-53.95
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CO[C@H]3COC[C@H]32)CC1	REAL300013051943	0	53	0.0	-62.06	399.50	3.29	-58.77
CCC[N@H+](CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)C	REAL300013052309	0	52	0.0	-68.92	379.08	6.67	-62.25
CCC[N@@H+](CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)C	REAL300013052309	1	52	0.0	-69.06	380.32	6.73	-62.33
C=CCOCC(NC(=O)NCC[N@@H+](CCC)C(C)C)C(=O)[O-]	REAL300013052310	0	51	0.0	-71.32	388.44	5.21	-66.11
C=CCOCC(NC(=O)NCC[N@H+](CCC)C(C)C)C(=O)[O-]	REAL300013052310	1	51	0.0	-70.46	387.79	5.18	-65.28
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)C(C)C	REAL300013052311	0	54	0.0	-73.13	385.15	5.11	-68.02
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)C(C)C	REAL300013052311	1	54	0.0	-72.48	386.70	5.20	-67.28
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C(C)C	REAL300013052312	0	50	0.0	-64.52	389.50	7.51	-57.01
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C(C)C	REAL300013052312	1	50	0.0	-64.29	390.07	7.62	-56.67
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C(C)C	REAL300013052313	0	50	0.0	-64.39	399.39	7.96	-56.43
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C(C)C	REAL300013052313	1	50	0.0	-63.42	399.36	8.09	-55.33
CCC[N@H+](CCNC(=O)N1CCC(OC)CC1C(=O)[O-])C(C)C	REAL300013052314	0	54	0.0	-79.63	382.99	7.89	-71.74
CCC[N@@H+](CCNC(=O)N1CCC(OC)CC1C(=O)[O-])C(C)C	REAL300013052314	1	54	0.0	-77.74	384.51	7.42	-70.32
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCOC1)C(C)C	REAL300013052315	0	54	0.0	-67.69	384.55	5.22	-62.47
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CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1)C(C)C	REAL300013052319	1	56	0.0	-69.40	419.99	8.90	-60.50
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1)C(C)C	REAL300013052320	0	56	0.0	-69.93	415.92	8.68	-61.25
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1)C(C)C	REAL300013052320	1	56	0.0	-70.57	416.17	8.69	-61.88
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1)C(C)C	REAL300013052321	0	54	0.0	-66.67	421.72	7.28	-59.39
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1)C(C)C	REAL300013052321	1	54	0.0	-66.48	422.29	7.38	-59.10
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CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C)C(C)C	REAL300013052322	1	56	0.0	-69.58	407.39	8.52	-61.06
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1)C(C)C	REAL300013052323	0	54	0.0	-67.05	411.91	6.80	-60.25
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1)C(C)C	REAL300013052323	1	54	0.0	-67.56	413.08	6.87	-60.69
CCC[N@H+](CCNC(=O)N(C(C)C(=O)[O-])C1CCC1)C(C)C	REAL300013052324	0	53	0.0	-56.57	373.30	8.41	-48.16
CCC[N@@H+](CCNC(=O)N(C(C)C(=O)[O-])C1CCC1)C(C)C	REAL300013052324	1	53	0.0	-45.68	368.53	9.06	-36.62
CCCN(C(=O)NCC[N@H+](CCC)C(C)C)C(COC)C(=O)[O-]	REAL300013052325	0	56	0.0	-67.55	398.55	7.60	-59.95
CCCN(C(=O)NCC[N@@H+](CCC)C(C)C)C(COC)C(=O)[O-]	REAL300013052325	1	56	0.0	-68.27	398.54	7.64	-60.63
CCCN(C(=O)NCC[N@H+](CCC)C(C)C)C(CC)C(=O)[O-]	REAL300013052326	0	55	0.0	-72.39	393.59	9.88	-62.51
CCCN(C(=O)NCC[N@@H+](CCC)C(C)C)C(CC)C(=O)[O-]	REAL300013052326	1	55	0.0	-67.05	387.67	8.80	-58.25
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C(C)C	REAL300013052327	0	50	0.0	-66.57	393.61	7.91	-58.66
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C(C)C	REAL300013052327	1	50	0.0	-65.55	393.50	8.04	-57.51
CCC[N@H+](CCNC(=O)N1CCSCC1C(=O)[O-])C(C)C	REAL300013052328	0	48	0.0	-76.01	350.87	8.37	-67.64
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CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCCCC1)C(C)C	REAL300013052330	0	56	0.0	-73.06	375.86	8.22	-64.84
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCCCC1)C(C)C	REAL300013052330	1	56	0.0	-71.98	376.02	8.28	-63.70
CCC[N@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300013052331	0	53	0.0	-70.52	400.15	8.45	-62.07
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CCC[N@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300013052335	0	53	0.0	-70.52	400.15	8.45	-62.07
CCC[N@@H+](CCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300013052335	1	53	0.0	-69.45	399.36	8.48	-60.97
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C(C)CC)C(C)C	REAL300013052336	0	52	0.0	-70.56	376.95	6.59	-63.97
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C(C)CC)C(C)C	REAL300013052336	1	52	0.0	-68.09	370.75	6.34	-61.75
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CCC[N@H+](CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C(C)C	REAL300013052339	0	54	0.0	-78.53	388.66	10.48	-68.05
CCC[N@@H+](CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C(C)C	REAL300013052339	1	54	0.0	-77.92	389.62	10.57	-67.35
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CS1)C(C)C	REAL300013052340	0	47	0.0	-68.61	368.46	6.49	-62.12
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CS1)C(C)C	REAL300013052340	1	47	0.0	-67.64	368.99	6.58	-61.06
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCCC1)C(C)C	REAL300013052341	0	53	0.0	-72.44	370.18	7.53	-64.91
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCCC1)C(C)C	REAL300013052341	1	53	0.0	-71.22	370.36	7.61	-63.61
CCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C(C)C	REAL300013052342	0	53	0.0	-51.84	414.40	10.65	-41.19
CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C(C)C	REAL300013052342	1	53	0.0	-51.88	414.89	10.75	-41.13
CCC[N@H+](CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C(C)C	REAL300013052343	0	57	0.0	-70.10	428.38	8.46	-61.64
CCC[N@@H+](CCNC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C(C)C	REAL300013052343	1	57	0.0	-70.68	428.31	8.49	-62.19
CCC[N@H+](CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C(C)C	REAL300013052344	0	52	0.0	-68.21	370.33	6.25	-61.96
CCC[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C(C)C	REAL300013052344	1	52	0.0	-68.76	372.14	6.42	-62.34
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CCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C(C)C	REAL300013052346	0	53	0.0	-52.10	404.08	10.20	-41.90
CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C(C)C	REAL300013052346	1	53	0.0	-52.13	404.56	10.30	-41.83
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C(C)C	REAL300013052347	0	54	0.0	-72.01	395.86	8.78	-63.23
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C(C)C	REAL300013052347	1	54	0.0	-71.19	397.12	8.81	-62.38
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C(C)C	REAL300013052348	0	50	0.0	-69.80	388.28	7.67	-62.13
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C(C)C	REAL300013052348	1	50	0.0	-69.50	387.98	7.63	-61.87
CCC[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013052349	0	53	0.0	-69.39	386.38	8.19	-61.20
CCC[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013052349	1	53	0.0	-69.28	385.56	8.07	-61.21
CCCCCCC(C)(NC(=O)NCC[N@H+](CCC)C(C)C)C(=O)[O-]	REAL300013052350	0	61	0.0	-67.51	431.31	8.85	-58.66
CCCCCCC(C)(NC(=O)NCC[N@@H+](CCC)C(C)C)C(=O)[O-]	REAL300013052350	1	61	0.0	-68.78	432.09	8.84	-59.94
CCC[N@H+](CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300013052351	0	56	0.0	-68.82	408.96	10.31	-58.51
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CCC[N@@H+](CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C(C)C	REAL300013052355	1	56	0.0	-55.14	420.51	10.99	-44.15
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CCC[N@@H+](CCNC(=O)N(CCOC)CC(=O)[O-])C(C)C	REAL300013052357	1	50	0.0	-54.71	370.93	6.41	-48.30
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CCC[N@@H+](CCNC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-])C(C)C	REAL300013052359	1	57	0.0	-76.57	433.50	8.36	-68.21
CCC[N@H+](CCNC(=O)N1CCCCCC1C(=O)[O-])C(C)C	REAL300013052360	0	53	0.0	-69.40	364.94	8.57	-60.83
CCC[N@@H+](CCNC(=O)N1CCCCCC1C(=O)[O-])C(C)C	REAL300013052360	1	53	0.0	-73.87	366.62	9.23	-64.64
CCCCC(NC(=O)NCC[N@H+](CCC)C(C)C)C(=O)[O-]	REAL300013052361	0	52	0.0	-67.70	383.93	7.01	-60.69
CCCCC(NC(=O)NCC[N@@H+](CCC)C(C)C)C(=O)[O-]	REAL300013052361	1	52	0.0	-68.84	384.72	6.98	-61.86
CCC[N@H+](CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C(C)C	REAL300013052362	0	56	0.0	-54.99	421.30	10.97	-44.02
CCC[N@@H+](CCNC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-])C(C)C	REAL300013052362	1	56	0.0	-55.14	420.51	10.99	-44.15
CCC[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)C(C)C	REAL300013052363	0	53	0.0	-52.93	375.15	8.72	-44.21
CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)C(C)C	REAL300013052363	1	53	0.0	-50.39	368.89	8.57	-41.82
CCCCCC(NC(=O)NCC[N@H+](CCC)C(C)C)C(=O)[O-]	REAL300013052364	0	55	0.0	-68.25	405.67	7.72	-60.53
CCCCCC(NC(=O)NCC[N@@H+](CCC)C(C)C)C(=O)[O-]	REAL300013052364	1	55	0.0	-68.95	406.22	7.76	-61.19
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC(CC)CC1)C(C)C	REAL300013052365	0	59	0.0	-68.10	402.90	8.07	-60.03
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CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl)C(C)C	REAL300013052369	1	50	0.0	-70.88	388.53	7.96	-62.92
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C(C)C	REAL300013052370	0	50	0.0	-75.48	381.23	7.50	-67.98
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1F)C(C)C	REAL300013052370	1	50	0.0	-75.54	382.19	7.58	-67.96
CCC[N@H+](CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C(C)C	REAL300013052371	0	54	0.0	-57.42	391.97	9.82	-47.60
CCC[N@@H+](CCNC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C(C)C	REAL300013052371	1	54	0.0	-56.63	392.01	9.92	-46.71
CCC[N@H+](CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C(C)C	REAL300013052372	0	53	0.0	-73.34	412.17	8.72	-64.62
CCC[N@@H+](CCNC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-])C(C)C	REAL300013052372	1	53	0.0	-72.87	414.38	8.69	-64.18
CCC[N@H+](CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C(C)C	REAL300013052373	0	59	0.0	-74.00	442.70	10.45	-63.55
CCC[N@@H+](CCNC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C(C)C	REAL300013052373	1	59	0.0	-73.01	443.43	10.48	-62.53
CCC[N@H+](CCNC(=O)NC(CC1CCCCC1)C(=O)[O-])C(C)C	REAL300013052374	0	59	0.0	-69.62	420.55	8.67	-60.95
CCC[N@@H+](CCNC(=O)NC(CC1CCCCC1)C(=O)[O-])C(C)C	REAL300013052374	1	59	0.0	-68.19	421.14	8.74	-59.45
CCC[N@H+](CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)C(C)C	REAL300013052375	0	56	0.0	-55.44	411.72	10.62	-44.82
CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])C(C)C1=CC=CC=C1)C(C)C	REAL300013052375	1	56	0.0	-56.25	410.19	10.92	-45.33
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1)C(C)C	REAL300013052376	0	53	0.0	-69.99	398.29	8.07	-61.92
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1)C(C)C	REAL300013052376	1	53	0.0	-68.79	398.17	8.20	-60.59
CCC[N@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C(C)C	REAL300013052377	0	46	0.0	-63.90	357.89	6.07	-57.83
CCC[N@@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C(C)C	REAL300013052377	1	46	0.0	-62.30	356.87	6.17	-56.13
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C(C)C	REAL300013052378	0	56	0.0	-71.95	424.11	9.73	-62.22
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C(C)C	REAL300013052378	1	56	0.0	-70.85	423.50	9.83	-61.02
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCSCC1)C(C)C	REAL300013052379	0	51	0.0	-69.00	368.95	7.26	-61.74
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCSCC1)C(C)C	REAL300013052379	1	51	0.0	-67.74	368.05	7.30	-60.44
CCC[N@H+](CCNC(=O)NC(C)(COC)C(=O)[O-])C(C)C	REAL300013052380	0	50	0.0	-72.84	364.35	5.04	-67.80
CCC[N@@H+](CCNC(=O)NC(C)(COC)C(=O)[O-])C(C)C	REAL300013052380	1	50	0.0	-71.69	363.56	5.06	-66.63
CCC[N@H+](CCNC(=O)N(C)C(COCC)C(=O)[O-])C(C)C	REAL300013052381	0	53	0.0	-67.22	384.35	6.68	-60.54
CCC[N@@H+](CCNC(=O)N(C)C(COCC)C(=O)[O-])C(C)C	REAL300013052381	1	53	0.0	-66.66	384.17	6.80	-59.86
CCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC(C)C)C(C)C	REAL300013052382	0	52	0.0	-53.79	376.05	8.46	-45.33
CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC(C)C)C(C)C	REAL300013052382	1	52	0.0	-53.47	375.46	8.29	-45.18
CCC[N@H+](CCNC(=O)N(CC(=O)[O-])C(CC)C1=CC=CC=C1)C(C)C	REAL300013052383	0	59	0.0	-53.00	425.26	11.39	-41.61
CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])C(CC)C1=CC=CC=C1)C(C)C	REAL300013052383	1	59	0.0	-53.95	424.72	11.48	-42.47
CCC[N@H+](CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C)C	REAL300013052384	0	49	0.0	-54.10	379.52	8.32	-45.78
CCC[N@@H+](CCNC(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C)C	REAL300013052384	1	49	0.0	-54.51	379.18	8.38	-46.13
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCOC1)C(C)C	REAL300013052385	0	48	0.0	-68.18	346.19	3.84	-64.34
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCOC1)C(C)C	REAL300013052385	1	48	0.0	-66.96	347.15	3.94	-63.02
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCC1)C(C)C	REAL300013052386	0	56	0.0	-71.72	394.48	7.52	-64.20
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCC1)C(C)C	REAL300013052386	1	56	0.0	-70.15	394.97	7.63	-62.52
CCC[N@H+](CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-])C(C)C	REAL300013052387	0	57	0.0	-68.91	410.13	8.20	-60.71
CCC[N@@H+](CCNC(=O)N(C)C(COC1CCC1)C(=O)[O-])C(C)C	REAL300013052387	1	57	0.0	-67.72	409.74	8.21	-59.51
CCC[N@H+](CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C(C)C	REAL300013052388	0	57	0.0	-75.35	415.79	11.35	-64.00
CCC[N@@H+](CCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1)C(C)C	REAL300013052388	1	57	0.0	-75.34	415.08	11.55	-63.79
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCOCC1)C(C)C	REAL300013052389	0	51	0.0	-71.10	361.60	5.04	-66.06
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCOCC1)C(C)C	REAL300013052389	1	51	0.0	-71.29	362.57	5.14	-66.15
CCC[N@H+](CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])C(C)C	REAL300013052390	0	56	0.0	-47.99	409.35	11.27	-36.72
CCC[N@@H+](CCNC(=O)N(CC1=CC=CC=C1)[C@H](C)C(=O)[O-])C(C)C	REAL300013052390	1	56	0.0	-73.18	406.82	11.06	-62.12
CCC[N@H+](CCNC(=O)NC(CC)(CC)C(=O)[O-])C(C)C	REAL300013052391	0	52	0.0	-69.68	361.27	6.58	-63.10
CCC[N@@H+](CCNC(=O)NC(CC)(CC)C(=O)[O-])C(C)C	REAL300013052391	1	52	0.0	-68.09	361.75	6.69	-61.40
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1)C(C)C	REAL300013052392	0	54	0.0	-69.85	406.37	6.69	-63.16
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(OC)C=C1)C(C)C	REAL300013052392	1	54	0.0	-69.26	406.85	6.80	-62.46
CCC[N@H+](CCNC(=O)N(CC(=O)[O-])C(C)CC)C(C)C	REAL300013052393	0	52	0.0	-53.08	370.62	8.52	-44.56
CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])C(C)CC)C(C)C	REAL300013052393	1	52	0.0	-53.29	369.83	8.54	-44.75
CCC[N@H+](CCNC(=O)NC(CC)(COC)C(=O)[O-])C(C)C	REAL300013052394	0	53	0.0	-74.29	380.79	5.95	-68.34
CCC[N@@H+](CCNC(=O)NC(CC)(COC)C(=O)[O-])C(C)C	REAL300013052394	1	53	0.0	-73.08	379.99	5.97	-67.11
CCC[N@H+](CCNC(=O)N(C)C(COC(C)C)C(=O)[O-])C(C)C	REAL300013052395	0	56	0.0	-67.24	404.62	7.44	-59.80
CCC[N@@H+](CCNC(=O)N(C)C(COC(C)C)C(=O)[O-])C(C)C	REAL300013052395	1	56	0.0	-66.42	403.83	7.46	-58.96
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C(C)C	REAL300013052396	0	53	0.0	-74.25	386.73	3.53	-70.72
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1)C(C)C	REAL300013052396	1	53	0.0	-73.17	387.67	3.62	-69.55
CCC[N@H+](CCNC(=O)NC(CCOC)C(=O)[O-])C(C)C	REAL300013052397	0	50	0.0	-69.34	375.40	4.50	-64.84
CCC[N@@H+](CCNC(=O)NC(CCOC)C(=O)[O-])C(C)C	REAL300013052397	1	50	0.0	-68.66	374.85	4.46	-64.20
CCC[N@H+](CCNC(=O)N(C)C(CC(C)C)C(=O)[O-])C(C)C	REAL300013052398	0	55	0.0	-66.26	391.29	8.86	-57.40
CCC[N@@H+](CCNC(=O)N(C)C(CC(C)C)C(=O)[O-])C(C)C	REAL300013052398	1	55	0.0	-66.56	390.14	9.02	-57.54
CCC[N@H+](CCNC(=O)NC(CC(F)F)C(=O)[O-])C(C)C	REAL300013052399	0	46	0.0	-69.32	354.31	5.67	-63.65
CCC[N@@H+](CCNC(=O)NC(CC(F)F)C(=O)[O-])C(C)C	REAL300013052399	1	46	0.0	-67.76	353.28	5.75	-62.01
CCC[N@H+](CCNC(=O)N1CCCC1(CCC)C(=O)[O-])C(C)C	REAL300013052400	0	56	0.0	-75.47	391.76	9.09	-66.38
CCC[N@@H+](CCNC(=O)N1CCCC1(CCC)C(=O)[O-])C(C)C	REAL300013052400	1	56	0.0	-76.28	391.42	9.68	-66.60
CCCN(C(=O)NCC[N@H+](CCC)C(C)C)C(C)C(=O)[O-]	REAL300013052401	0	52	0.0	-71.27	373.77	8.72	-62.55
CCCN(C(=O)NCC[N@@H+](CCC)C(C)C)C(C)C(=O)[O-]	REAL300013052401	1	52	0.0	-45.39	371.84	8.76	-36.63
CCC[N@H+](CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C(C)C	REAL300013052402	0	56	0.0	-48.35	410.25	11.21	-37.14
CCC[N@@H+](CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C(C)C	REAL300013052402	1	56	0.0	-45.54	409.57	11.26	-34.28
CCC[N@H+](CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1)C(C)C	REAL300013052403	0	56	0.0	-68.46	418.41	9.58	-58.88
CCC[N@@H+](CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1)C(C)C	REAL300013052403	1	56	0.0	-66.91	418.89	9.69	-57.22
CCC[N@H+](CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013052404	0	56	0.0	-71.46	401.68	9.06	-62.40
CCC[N@@H+](CCNC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013052404	1	56	0.0	-69.83	402.15	9.17	-60.66
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1)C(C)C	REAL300013052405	0	60	0.0	-74.60	426.26	6.60	-68.00
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCC(OC)C1)C(C)C	REAL300013052405	1	60	0.0	-73.10	427.13	6.70	-66.40
CCC[N@H+](CCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-])C(C)C	REAL300013052406	0	57	0.0	-71.22	411.17	6.59	-64.63
CCC[N@@H+](CCNC(=O)NC(CC1(OC)CCC1)C(=O)[O-])C(C)C	REAL300013052406	1	57	0.0	-69.84	412.87	6.43	-63.41
CCC[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCOCC1)C(C)C	REAL300013052407	0	54	0.0	-53.42	383.60	7.05	-46.37
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CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1)C(C)C	REAL300013052410	0	54	0.0	-72.47	406.10	6.77	-65.70
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CCC[N@H+](CCNC(=O)NC(C)(CCF)C(=O)[O-])C(C)C	REAL300013052411	0	49	0.0	-65.69	352.69	5.89	-59.80
CCC[N@@H+](CCNC(=O)NC(C)(CCF)C(=O)[O-])C(C)C	REAL300013052411	1	49	0.0	-64.55	351.90	5.92	-58.63
CCC[N@H+](CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C(C)C	REAL300013052412	0	51	0.0	-58.90	373.78	7.88	-51.02
CCC[N@@H+](CCNC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C(C)C	REAL300013052412	1	51	0.0	-58.73	373.72	7.96	-50.77
CCC[N@H+](CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C(C)C	REAL300013052413	0	47	0.0	-70.25	354.55	6.99	-63.26
CCC[N@@H+](CCNC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-])C(C)C	REAL300013052413	1	47	0.0	-68.31	353.77	7.18	-61.13
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CCC[N@H+](CCNC(=O)N1CC(C(=O)OC)CCC1C(=O)[O-])C(C)C	REAL300013052415	0	56	0.0	-77.20	406.59	9.22	-67.98
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CCC[N@H+](CCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-])C(C)C	REAL300013052416	0	57	0.0	-74.25	428.54	7.63	-66.62
CCC[N@@H+](CCNC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-])C(C)C	REAL300013052416	1	57	0.0	-73.00	429.16	7.73	-65.27
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C(C)C	REAL300013052417	0	59	0.0	-73.52	398.80	8.44	-65.08
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C(C)C	REAL300013052417	1	59	0.0	-72.50	398.24	8.49	-64.01
CCC[N@H+](CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C(C)C	REAL300013052418	0	56	0.0	-68.00	420.25	9.10	-58.90
CCC[N@@H+](CCNC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C(C)C	REAL300013052418	1	56	0.0	-66.81	419.45	9.13	-57.68
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CCC[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C(C)C	REAL300013052419	1	55	0.0	-73.10	413.44	8.96	-64.14
CCC[N@H+](CCNC(=O)N1CC(OC)CC1(C)C(=O)[O-])C(C)C	REAL300013052420	0	54	0.0	-75.30	389.82	6.76	-68.54
CCC[N@@H+](CCNC(=O)N1CC(OC)CC1(C)C(=O)[O-])C(C)C	REAL300013052420	1	54	0.0	-73.83	390.38	6.86	-66.97
CCC[N@H+](CCNC(=O)NC(CC1CCCOC1)C(=O)[O-])C(C)C	REAL300013052421	0	57	0.0	-69.06	413.35	6.22	-62.84
CCC[N@@H+](CCNC(=O)NC(CC1CCCOC1)C(=O)[O-])C(C)C	REAL300013052421	1	57	0.0	-67.94	413.01	6.25	-61.69
CCC[N@H+](CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)C	REAL300013052422	0	52	0.0	-68.25	369.84	6.45	-61.80
CCC[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)C	REAL300013052422	1	52	0.0	-68.22	370.36	6.52	-61.70
C=C(Cl)CC(NC(=O)NCC[N@@H+](CCC)C(C)C)C(=O)[O-]	REAL300013052423	0	47	0.0	-65.48	370.44	6.50	-58.98
C=C(Cl)CC(NC(=O)NCC[N@H+](CCC)C(C)C)C(=O)[O-]	REAL300013052423	1	47	0.0	-64.35	369.65	6.52	-57.83
CCC[N@H+](CCNC(=O)N1C2CCC1(C(=O)[O-])CC2)C(C)C	REAL300013052424	0	51	0.0	-82.27	362.48	8.72	-73.55
CCC[N@@H+](CCNC(=O)N1C2CCC1(C(=O)[O-])CC2)C(C)C	REAL300013052424	1	51	0.0	-81.88	361.93	8.75	-73.13
CCC[N@H+](CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C(C)C	REAL300013052425	0	56	0.0	-68.71	409.92	8.65	-60.06
CCC[N@@H+](CCNC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C(C)C	REAL300013052425	1	56	0.0	-67.43	409.14	8.68	-58.75
CCC[N@H+](CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C(C)C	REAL300013052426	0	47	0.0	-68.22	352.91	7.17	-61.05
CCC[N@@H+](CCNC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C(C)C	REAL300013052426	1	47	0.0	-68.79	354.17	7.19	-61.60
CCC[N@H+](CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C(C)C	REAL300013052427	0	47	0.0	-72.28	346.89	7.37	-64.91
CCC[N@@H+](CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C(C)C	REAL300013052427	1	47	0.0	-72.10	345.56	7.44	-64.66
CCC[N@H+](CCNC(=O)NC(CC1CCOCC1)C(=O)[O-])C(C)C	REAL300013052428	0	57	0.0	-69.69	411.37	6.14	-63.55
CCC[N@@H+](CCNC(=O)NC(CC1CCOCC1)C(=O)[O-])C(C)C	REAL300013052428	1	57	0.0	-69.99	412.69	6.24	-63.75
CCC[N@H+](CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)C	REAL300013052429	0	52	0.0	-68.92	379.08	6.67	-62.25
CCC[N@@H+](CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)C	REAL300013052429	1	52	0.0	-69.06	380.32	6.73	-62.33
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)C(C)C	REAL300013052430	0	54	0.0	-73.13	385.15	5.11	-68.02
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCOCC1)C(C)C	REAL300013052430	1	54	0.0	-72.48	386.70	5.20	-67.28
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013052431	0	50	0.0	-69.22	376.27	7.41	-61.81
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013052431	1	50	0.0	-69.47	377.36	7.50	-61.97
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C(C)C	REAL300013052432	0	53	0.0	-69.32	415.34	8.47	-60.85
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C(C)C	REAL300013052432	1	53	0.0	-68.37	416.15	8.48	-59.89
CCC[N@H+](CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C(C)C	REAL300013052433	0	49	0.0	-67.43	385.71	5.50	-61.93
CCC[N@@H+](CCNC(=O)NC(CC1=CN=CS1)C(=O)[O-])C(C)C	REAL300013052433	1	49	0.0	-66.98	386.20	5.61	-61.37
CCC[N@H+](CCNC(=O)NC(CCCC(C)C)C(=O)[O-])C(C)C	REAL300013052434	0	58	0.0	-69.46	424.03	8.22	-61.24
CCC[N@@H+](CCNC(=O)NC(CCCC(C)C)C(=O)[O-])C(C)C	REAL300013052434	1	58	0.0	-68.32	423.24	8.24	-60.08
CCC[N@H+](CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C(C)C	REAL300013052435	0	56	0.0	-68.53	428.96	8.74	-59.79
CCC[N@@H+](CCNC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C(C)C	REAL300013052435	1	56	0.0	-67.46	429.53	8.83	-58.63
CCC[N@H+](CCNC(=O)NC(CC1CCCO1)C(=O)[O-])C(C)C	REAL300013052436	0	54	0.0	-73.30	396.70	5.76	-67.54
CCC[N@@H+](CCNC(=O)NC(CC1CCCO1)C(=O)[O-])C(C)C	REAL300013052436	1	54	0.0	-72.39	397.81	5.79	-66.60
CCC[N@H+](CCNC(=O)NC(CSC)C(=O)[O-])C(C)C	REAL300013052437	0	47	0.0	-66.85	365.66	5.73	-61.12
CCC[N@@H+](CCNC(=O)NC(CSC)C(=O)[O-])C(C)C	REAL300013052437	1	47	0.0	-65.81	364.87	5.74	-60.07
CCC[N@H+](CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C(C)C	REAL300013052438	0	53	0.0	-68.63	405.21	8.48	-60.15
CCC[N@@H+](CCNC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])C(C)C	REAL300013052438	1	53	0.0	-67.87	406.40	8.50	-59.37
CCC[N@H+](CCNC(=O)NC(CC(C)CC)C(=O)[O-])C(C)C	REAL300013052439	0	55	0.0	-69.59	396.96	7.42	-62.17
CCC[N@@H+](CCNC(=O)NC(CC(C)CC)C(=O)[O-])C(C)C	REAL300013052439	1	55	0.0	-68.91	397.21	7.39	-61.52
C=CCCCC(NC(=O)NCC[N@@H+](CCC)C(C)C)C(=O)[O-]	REAL300013052440	0	53	0.0	-68.98	397.53	7.55	-61.43
C=CCCCC(NC(=O)NCC[N@H+](CCC)C(C)C)C(=O)[O-]	REAL300013052440	1	53	0.0	-67.80	396.74	7.57	-60.23
CCC[N@H+](CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C(C)C	REAL300013052441	0	53	0.0	-67.65	404.70	8.41	-59.24
CCC[N@@H+](CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-])C(C)C	REAL300013052441	1	53	0.0	-67.81	406.16	8.57	-59.24
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C(C)C	REAL300013052442	0	56	0.0	-73.45	418.40	9.58	-63.87
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C(C)C	REAL300013052442	1	56	0.0	-71.88	418.27	9.74	-62.14
CCC[N@H+](CCNC(=O)N1CCSCC1C(=O)[O-])C(C)C	REAL300013052443	0	48	0.0	-76.01	350.87	8.37	-67.64
CCC[N@@H+](CCNC(=O)N1CCSCC1C(=O)[O-])C(C)C	REAL300013052443	1	48	0.0	-75.07	352.41	8.47	-66.60
CCC[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013052444	0	53	0.0	-69.39	386.38	8.19	-61.20
CCC[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013052444	1	53	0.0	-69.28	385.56	8.07	-61.21
CCC[N@H+](CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C(C)C	REAL300013052445	0	51	0.0	-80.23	361.02	8.81	-71.42
CCC[N@@H+](CCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])C(C)C	REAL300013052445	1	51	0.0	-79.74	361.34	8.84	-70.90
CCC[N@H+](CCNC(=O)N(CC)C(C)(C)C(=O)[O-])C(C)C	REAL300013052446	0	52	0.0	-71.75	366.28	8.19	-63.56
CCC[N@@H+](CCNC(=O)N(CC)C(C)(C)C(=O)[O-])C(C)C	REAL300013052446	1	52	0.0	-70.69	366.14	8.25	-62.44
CCCN(C(=O)NCC[N@H+](CCC)C(C)C)C(C)C(=O)[O-]	REAL300013052447	0	52	0.0	-71.27	373.77	8.72	-62.55
CCCN(C(=O)NCC[N@@H+](CCC)C(C)C)C(C)C(=O)[O-]	REAL300013052447	1	52	0.0	-45.39	371.84	8.76	-36.63
CCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C(C)C	REAL300013052448	0	46	0.0	-64.83	354.51	7.70	-57.13
CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C(C)C	REAL300013052448	1	46	0.0	-63.95	354.18	7.74	-56.21
CCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C(C)C	REAL300013052449	0	46	0.0	-64.83	354.51	7.70	-57.13
CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC(F)(F)F)C(C)C	REAL300013052449	1	46	0.0	-63.95	354.18	7.74	-56.21
CCC[N@H+](CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C(C)C	REAL300013052450	0	59	0.0	-54.71	426.93	5.61	-49.10
CCC[N@@H+](CCNC(=O)N(CCN1CCOCC1)CC(=O)[O-])C(C)C	REAL300013052450	1	59	0.0	-54.91	427.50	5.71	-49.20
CCC[N@H+](CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C(C)C	REAL300013052451	0	48	0.0	-77.94	351.52	3.53	-74.41
CCC[N@@H+](CCNC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])C(C)C	REAL300013052451	1	48	0.0	-76.32	351.07	3.66	-72.66
CCC[N@H+](CCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])C(C)C	REAL300013052452	1	63	0.0	-54.45	453.43	5.53	-48.92
CCC[N@@H+](CCNC(=O)N(CCN1CCN(C)CC1)CC(=O)[O-])C(C)C	REAL300013052452	1	63	0.0	-53.94	453.09	5.58	-48.36
CCC[N@H+](CCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-])C(C)C	REAL300013052453	0	54	0.0	-49.11	394.55	10.30	-38.81
CCC[N@@H+](CCNC(=O)N1C2=CC=CC(C)=C2CC1C(=O)[O-])C(C)C	REAL300013052453	1	54	0.0	-49.35	394.04	10.33	-39.02
CCC[N@H+](CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])C(C)C	REAL300013052454	0	57	0.0	-57.73	404.78	10.52	-47.21
CCC[N@@H+](CCNC(=O)N1C2=CC=CC=C2C[C@H](C)[C@@H]1C(=O)[O-])C(C)C	REAL300013052454	1	57	0.0	-57.92	403.90	10.54	-47.38
CCC[N@H+](CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C(C)C	REAL300013052455	0	55	0.0	-67.74	396.57	8.57	-59.17
CCC[N@@H+](CCNC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-])C(C)C	REAL300013052455	1	55	0.0	-68.92	396.95	8.63	-60.29
CCC[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013052456	0	50	0.0	-70.01	376.60	7.48	-62.53
CCC[N@@H+](CCNC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013052456	1	50	0.0	-68.87	376.34	7.58	-61.29
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C(C)C	REAL300013052457	0	53	0.0	-65.40	415.01	8.42	-56.98
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C(C)C	REAL300013052457	1	53	0.0	-65.01	415.50	8.52	-56.49
CCC[N@H+](CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C(C)C	REAL300013052458	0	55	0.0	-71.61	418.25	7.40	-64.21
CCC[N@@H+](CCNC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-])C(C)C	REAL300013052458	1	55	0.0	-69.92	417.67	7.50	-62.42
CCC[N@H+](CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C(C)C	REAL300013052459	0	49	0.0	-72.67	385.70	5.33	-67.34
CCC[N@@H+](CCNC(=O)NC(CC1=NC=CS1)C(=O)[O-])C(C)C	REAL300013052459	1	49	0.0	-71.10	386.18	5.43	-65.67
CCC[N@H+](CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C(C)C	REAL300013052460	0	50	0.0	-65.54	405.21	7.14	-58.40
CCC[N@@H+](CCNC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C(C)C	REAL300013052460	1	50	0.0	-64.64	405.35	7.24	-57.40
CCC[N@H+](CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C(C)C	REAL300013052461	0	50	0.0	-84.74	369.79	4.86	-79.88
CCC[N@@H+](CCNC(=O)N1CCS(=O)(=O)CC1C(=O)[O-])C(C)C	REAL300013052461	1	50	0.0	-84.69	370.28	4.87	-79.82
CCC[N@H+](CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C(C)C	REAL300013052462	0	51	0.0	-69.57	368.16	6.74	-62.83
CCC[N@@H+](CCNC(=O)N1CC(=O)N(C)CC1C(=O)[O-])C(C)C	REAL300013052462	1	51	0.0	-68.89	369.81	6.56	-62.33
CCC[N@H+](CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013052463	0	50	0.0	-68.97	376.19	7.42	-61.55
CCC[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013052463	1	50	0.0	-69.02	377.15	7.52	-61.50
CCC[N@H+](CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C(C)C	REAL300013052464	0	53	0.0	-66.59	391.06	6.74	-59.85
CCC[N@@H+](CCNC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-])C(C)C	REAL300013052464	1	53	0.0	-70.64	387.22	6.83	-63.81
CCC[N@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)C(C)C	REAL300013052465	0	53	0.0	-52.93	375.15	8.72	-44.21
CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])C1CCCC1)C(C)C	REAL300013052465	1	53	0.0	-50.39	368.89	8.57	-41.82
CCC[N@H+](CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C(C)C	REAL300013052466	0	52	0.0	-68.21	370.33	6.25	-61.96
CCC[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C(C)C	REAL300013052466	1	52	0.0	-68.76	372.14	6.42	-62.34
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(CO)C1)C(C)C	REAL300013052467	0	51	0.0	-72.84	373.75	3.39	-69.45
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(CO)C1)C(C)C	REAL300013052467	1	51	0.0	-77.32	373.29	3.31	-74.01
CCC[N@H+](CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C(C)C	REAL300013052468	0	59	0.0	-67.89	419.66	6.47	-61.42
CCC[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)C(C)C	REAL300013052468	1	59	0.0	-70.82	424.52	6.63	-64.19
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC(C)C1)C(C)C	REAL300013052469	0	53	0.0	-72.54	376.73	7.06	-65.48
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC(C)C1)C(C)C	REAL300013052469	1	53	0.0	-71.40	376.91	7.14	-64.26
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C(C)C	REAL300013052470	0	56	0.0	-71.64	386.19	7.80	-63.84
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCC1(C)C)C(C)C	REAL300013052470	1	56	0.0	-71.06	386.77	7.89	-63.17
CCC[N@H+](CCNC(=O)NC(CCOC)C(=O)[O-])C(C)C	REAL300013052471	0	50	0.0	-69.34	375.40	4.50	-64.84
CCC[N@@H+](CCNC(=O)NC(CCOC)C(=O)[O-])C(C)C	REAL300013052471	1	50	0.0	-68.66	374.85	4.46	-64.20
CCC[N@H+](CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300013052472	0	56	0.0	-68.82	408.96	10.31	-58.51
CCC[N@@H+](CCNC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300013052472	1	56	0.0	-68.04	408.68	10.44	-57.60
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C(C)C	REAL300013052473	0	53	0.0	-73.51	377.92	7.82	-65.69
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(C)(C)C1)C(C)C	REAL300013052473	1	53	0.0	-72.72	379.11	7.85	-64.87
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)C(C)C	REAL300013052474	0	60	0.0	-73.44	426.70	9.81	-63.63
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC(C)C2=CC=CC=C21)C(C)C	REAL300013052474	1	60	0.0	-71.63	426.02	9.77	-61.86
CCC[N@H+](CCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)OC(C)(C)C)C(C)C	REAL300013052475	0	59	0.0	-70.50	424.80	6.61	-63.89
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CCC[N@H+](CCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C(C)C	REAL300013052476	0	48	0.0	-81.37	351.08	3.77	-77.60
CCC[N@@H+](CCNC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-])C(C)C	REAL300013052476	1	48	0.0	-80.68	352.39	3.80	-76.88
CCC[N@H+](CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C(C)C	REAL300013052477	0	58	0.0	-57.73	419.88	11.00	-46.73
CCC[N@@H+](CCNC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-])C(C)C	REAL300013052477	1	58	0.0	-57.69	419.34	11.02	-46.67
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCOC1)C(C)C	REAL300013052478	0	51	0.0	-69.65	367.43	4.36	-65.29
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCOC1)C(C)C	REAL300013052478	1	51	0.0	-68.41	368.40	4.46	-63.95
CCC[N@H+](CCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C(C)C	REAL300013052479	0	51	0.0	-78.38	362.44	8.44	-69.94
CCC[N@@H+](CCNC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-])C(C)C	REAL300013052479	1	51	0.0	-78.30	362.08	8.48	-69.82
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C(C)C	REAL300013052480	0	54	0.0	-77.51	408.50	7.54	-69.97
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12)C(C)C	REAL300013052480	1	54	0.0	-76.83	409.52	7.56	-69.27
CCC[N@H+](CCNC(=O)N1CC2CC1(C(=O)[O-])CO2)C(C)C	REAL300013052481	0	49	0.0	-75.40	354.16	6.15	-69.25
CCC[N@@H+](CCNC(=O)N1CC2CC1(C(=O)[O-])CO2)C(C)C	REAL300013052481	1	49	0.0	-75.20	354.28	6.15	-69.05
CCC[N@H+](CCNC(=O)N1CC(C)CCC1C(=O)[O-])C(C)C	REAL300013052482	0	53	0.0	-78.02	372.73	9.20	-68.82
CCC[N@@H+](CCNC(=O)N1CC(C)CCC1C(=O)[O-])C(C)C	REAL300013052482	1	53	0.0	-76.95	371.81	9.22	-67.73
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)C(C)C	REAL300013052483	0	56	0.0	-70.60	417.12	8.81	-61.79
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C(C)C1=CC=CC=C1)C(C)C	REAL300013052483	1	56	0.0	-68.08	414.77	8.82	-59.26
CCC[N@H+](CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C(C)C	REAL300013052484	0	57	0.0	-69.00	413.35	8.46	-60.54
CCC[N@@H+](CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C(C)C	REAL300013052484	1	57	0.0	-67.63	409.60	9.29	-58.34
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C(C)C	REAL300013052485	0	63	0.0	-71.67	435.11	8.20	-63.47
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1)C(C)C	REAL300013052485	1	63	0.0	-70.49	434.22	8.25	-62.24
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCC1)C(C)C	REAL300013052486	0	56	0.0	-71.72	394.48	7.52	-64.20
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCC1)C(C)C	REAL300013052486	1	56	0.0	-70.15	394.97	7.63	-62.52
CCC[N@H+](CCNC(=O)NC(CC1CCCCO1)C(=O)[O-])C(C)C	REAL300013052487	0	57	0.0	-72.38	414.87	6.50	-65.88
CCC[N@@H+](CCNC(=O)NC(CC1CCCCO1)C(=O)[O-])C(C)C	REAL300013052487	1	57	0.0	-71.20	414.61	6.61	-64.59
CCC[N@H+](CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(C)C	REAL300013052488	0	57	0.0	-48.08	386.74	9.07	-39.01
CCC[N@@H+](CCNC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(C)C	REAL300013052488	1	57	0.0	-46.19	387.10	9.16	-37.03
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C(C)C	REAL300013052489	0	57	0.0	-73.20	391.49	6.39	-66.81
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1)C(C)C	REAL300013052489	1	57	0.0	-71.88	391.10	6.40	-65.48
CCC[N@H+](CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C(C)C	REAL300013052490	0	56	0.0	-71.37	437.24	9.61	-61.76
CCC[N@@H+](CCNC(=O)NC(CC1=CSC2=CC=CC=C12)C(=O)[O-])C(C)C	REAL300013052490	1	56	0.0	-70.25	437.84	9.70	-60.55
CCC[N@H+](CCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-])C(C)C	REAL300013052491	0	57	0.0	-58.55	409.14	10.39	-48.16
CCC[N@@H+](CCNC(=O)N1CCC2=C(C)C=CC=C2C1C(=O)[O-])C(C)C	REAL300013052491	1	57	0.0	-58.64	409.31	10.45	-48.19
CCC[N@H+](CCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C(C)C	REAL300013052492	0	51	0.0	-50.37	362.47	8.25	-42.12
CCC[N@@H+](CCNC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])C(C)C	REAL300013052492	1	51	0.0	-48.65	362.44	8.32	-40.33
CCC[N@H+](CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C(C)C	REAL300013052493	0	57	0.0	-69.00	413.35	8.46	-60.54
CCC[N@@H+](CCNC(=O)NC(CC1CC=CCC1)C(=O)[O-])C(C)C	REAL300013052493	1	57	0.0	-67.63	409.60	9.29	-58.34
CCC[N@H+](CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C(C)C	REAL300013052494	0	53	0.0	-72.34	405.35	8.46	-63.88
CCC[N@@H+](CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C(C)C	REAL300013052494	1	53	0.0	-71.35	406.07	8.50	-62.85
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(OC)C1)C(C)C	REAL300013052495	0	51	0.0	-75.40	374.95	5.07	-70.33
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(OC)C1)C(C)C	REAL300013052495	1	51	0.0	-74.67	376.11	5.09	-69.58
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C(C)C	REAL300013052496	0	47	0.0	-71.32	349.92	6.13	-65.19
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(F)(F)C1)C(C)C	REAL300013052496	1	47	0.0	-70.65	351.10	6.17	-64.48
CCC[N@H+](CCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)C(C)C	REAL300013052497	0	51	0.0	-69.18	373.53	4.90	-64.28
CCC[N@@H+](CCNC(=O)N[C@]1(C(=O)[O-])C[C@H](OC)C1)C(C)C	REAL300013052497	1	51	0.0	-69.76	374.34	5.38	-64.38
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C(C)C	REAL300013052498	0	50	0.0	-67.07	383.83	6.94	-60.13
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1)C(C)C	REAL300013052498	1	50	0.0	-71.41	381.52	7.13	-64.28
CCC[N@H+](CCNC(=O)N1CCCC1(CC)C(=O)[O-])C(C)C	REAL300013052499	0	53	0.0	-75.29	370.26	8.35	-66.94
CCC[N@@H+](CCNC(=O)N1CCCC1(CC)C(=O)[O-])C(C)C	REAL300013052499	1	53	0.0	-76.00	369.93	8.93	-67.07
CCC[N@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C(C)C	REAL300013052500	0	46	0.0	-63.90	357.89	6.07	-57.83
CCC[N@@H+](CCNC(=O)NC(CC(F)(F)F)C(=O)[O-])C(C)C	REAL300013052500	1	46	0.0	-62.30	356.87	6.17	-56.13
CCC[N@H+](CCNC(=O)NC(CC1CCOC1)C(=O)[O-])C(C)C	REAL300013052501	0	54	0.0	-72.01	395.77	5.39	-66.62
CCC[N@@H+](CCNC(=O)NC(CC1CCOC1)C(=O)[O-])C(C)C	REAL300013052501	1	54	0.0	-68.78	392.74	5.04	-63.74
CCC[N@H+](CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C(C)C	REAL300013052502	0	50	0.0	-70.02	391.05	7.39	-62.63
CCC[N@@H+](CCNC(=O)NC(CC1=CC=CS1)C(=O)[O-])C(C)C	REAL300013052502	1	50	0.0	-69.46	391.53	7.50	-61.96
CCC[N@H+](CCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013052503	0	57	0.0	-69.70	417.88	7.39	-62.31
CCC[N@@H+](CCNC(=O)NC(COC)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013052503	1	57	0.0	-67.99	418.37	7.49	-60.50
CCC[N@H+](CCNC(=O)NC(C)(C(=O)[O-])C(C)C)C(C)C	REAL300013052504	0	52	0.0	-68.25	361.02	6.38	-61.87
CCC[N@@H+](CCNC(=O)NC(C)(C(=O)[O-])C(C)C)C(C)C	REAL300013052504	1	52	0.0	-68.45	362.04	6.46	-61.99
CCC[N@H+](CCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C(C)C	REAL300013052505	0	51	0.0	-77.17	362.50	7.88	-69.29
CCC[N@@H+](CCNC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-])C(C)C	REAL300013052505	1	51	0.0	-75.47	363.61	8.10	-67.37
CCC[N@H+](CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C(C)C	REAL300013052506	0	56	0.0	-48.35	410.25	11.21	-37.14
CCC[N@@H+](CCNC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])C(C)C	REAL300013052506	1	56	0.0	-45.54	409.57	11.26	-34.28
CCC[N@H+](CCNC(=O)NC(CC1CCCCC1)C(=O)[O-])C(C)C	REAL300013052507	0	59	0.0	-69.62	420.55	8.67	-60.95
CCC[N@@H+](CCNC(=O)NC(CC1CCCCC1)C(=O)[O-])C(C)C	REAL300013052507	1	59	0.0	-68.19	421.14	8.74	-59.45
CCC[N@H+](CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300013052508	0	56	0.0	-69.86	422.15	9.10	-60.76
CCC[N@@H+](CCNC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300013052508	1	56	0.0	-69.87	423.03	9.21	-60.66
CCC[N@H+](CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300013052509	0	56	0.0	-70.67	422.29	9.12	-61.55
CCC[N@@H+](CCNC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300013052509	1	56	0.0	-68.83	422.79	9.27	-59.56
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C(C)C	REAL300013052510	0	57	0.0	-71.13	403.57	8.06	-63.07
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CC2CCC1C2)C(C)C	REAL300013052510	1	57	0.0	-69.07	401.62	8.07	-61.00
CCC[N@H+](CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C(C)C	REAL300013052511	0	59	0.0	-69.59	421.36	8.70	-60.89
CCC[N@@H+](CCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])C(C)C	REAL300013052511	1	59	0.0	-69.02	421.17	8.65	-60.37
CCC[N@H+](CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C(C)C	REAL300013052512	0	59	0.0	-69.35	421.73	8.55	-60.80
CCC[N@@H+](CCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])C(C)C	REAL300013052512	1	59	0.0	-68.70	420.94	8.69	-60.01
CCC[N@H+](CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C(C)C	REAL300013052513	0	57	0.0	-49.77	402.59	9.26	-40.51
CCC[N@@H+](CCNC(=O)N1CC2(CCCC2)CC1C(=O)[O-])C(C)C	REAL300013052513	1	57	0.0	-49.12	402.66	9.23	-39.89
CCC[N@H+](CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C(C)C	REAL300013052514	0	57	0.0	-76.99	396.61	9.09	-67.90
CCC[N@@H+](CCNC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-])C(C)C	REAL300013052514	1	57	0.0	-76.04	397.86	9.10	-66.94
CCC[N@H+](CCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-])C(C)C	REAL300013052515	0	57	0.0	-71.96	429.89	7.70	-64.26
CCC[N@@H+](CCNC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)[O-])C(C)C	REAL300013052515	1	57	0.0	-68.85	428.21	7.72	-61.13
C=CCSCC(NC(=O)NCC[N@@H+](CCC)C(C)C)C(=O)[O-]	REAL300013052516	0	51	0.0	-66.84	399.94	7.18	-59.66
C=CCSCC(NC(=O)NCC[N@H+](CCC)C(C)C)C(=O)[O-]	REAL300013052516	1	51	0.0	-65.19	398.91	7.27	-57.92
CCC[N@H+](CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C(C)C	REAL300013052517	0	54	0.0	-69.78	421.17	8.79	-60.99
CCC[N@@H+](CCNC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-])C(C)C	REAL300013052517	1	54	0.0	-68.85	419.53	8.82	-60.03
CCC[N@H+](CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C(C)C	REAL300013052518	0	57	0.0	-84.25	438.81	8.32	-75.93
CCC[N@@H+](CCNC(=O)NC(CC1=CNC2=CC=CC(F)=C12)C(=O)[O-])C(C)C	REAL300013052518	1	57	0.0	-82.71	439.30	8.42	-74.29
CCC[N@H+](CCNC(=O)N(CC)C(CC)C(=O)[O-])C(C)C	REAL300013052519	0	52	0.0	-66.89	366.68	8.18	-58.71
CCC[N@@H+](CCNC(=O)N(CC)C(CC)C(=O)[O-])C(C)C	REAL300013052519	1	52	0.0	-65.89	365.38	8.10	-57.79
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1(OC)CCC1)C(C)C	REAL300013052520	0	54	0.0	-66.29	387.98	4.93	-61.36
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1(OC)CCC1)C(C)C	REAL300013052520	1	54	0.0	-65.33	388.34	5.04	-60.29
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C(C)C	REAL300013052521	0	56	0.0	-69.95	401.80	8.33	-61.62
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1)C(C)C	REAL300013052521	1	56	0.0	-68.76	401.96	8.41	-60.35
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C(C)C	REAL300013052522	0	57	0.0	-72.39	408.14	9.46	-62.93
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1)C(C)C	REAL300013052522	1	57	0.0	-71.41	408.26	9.54	-61.87
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C(C)C	REAL300013052523	0	50	0.0	-74.47	373.73	6.90	-67.57
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC(C(F)F)C1)C(C)C	REAL300013052523	1	50	0.0	-75.74	374.57	6.96	-68.78
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C(C)C	REAL300013052525	0	62	0.0	-69.58	453.08	9.71	-59.87
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C(C)C	REAL300013052525	1	62	0.0	-68.82	453.62	9.81	-59.01
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1)C(C)C	REAL300013052526	0	59	0.0	-68.79	436.51	9.34	-59.45
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C(C)C)C=C1)C(C)C	REAL300013052526	1	59	0.0	-69.03	437.59	9.43	-59.60
CCC[N@H+](CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C(C)C	REAL300013052527	0	47	0.0	-72.28	346.89	7.37	-64.91
CCC[N@@H+](CCNC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C(C)C	REAL300013052527	1	47	0.0	-72.10	345.56	7.44	-64.66
CCC[N@H+](CCNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C(C)C	REAL300013052528	0	49	0.0	-49.14	355.21	8.12	-41.02
CCC[N@@H+](CCNC(=O)N1C2C=CC(C2)C1C(=O)[O-])C(C)C	REAL300013052528	1	49	0.0	-49.12	356.57	8.15	-40.97
CCC[N@H+](CCNC(=O)N1CCC(C)(C)C1C(=O)[O-])C(C)C	REAL300013052529	0	53	0.0	-74.48	371.45	8.26	-66.22
CCC[N@@H+](CCNC(=O)N1CCC(C)(C)C1C(=O)[O-])C(C)C	REAL300013052529	1	53	0.0	-74.99	372.71	8.30	-66.69
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC)C=C1)C(C)C	REAL300013052530	0	57	0.0	-69.63	428.23	7.62	-62.01
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(OCC)C=C1)C(C)C	REAL300013052530	1	57	0.0	-68.52	428.11	7.74	-60.78
CCC[N@H+](CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C(C)C	REAL300013052531	0	57	0.0	-76.96	395.91	9.92	-67.04
CCC[N@@H+](CCNC(=O)N1CC2(CCC2)CCC1C(=O)[O-])C(C)C	REAL300013052531	1	57	0.0	-75.98	397.11	10.05	-65.93
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C(C)C	REAL300013052532	0	57	0.0	-69.55	417.27	9.29	-60.26
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21)C(C)C	REAL300013052532	1	57	0.0	-68.37	418.21	9.38	-58.99
CCC[N@H+](CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300013052533	0	57	0.0	-74.86	420.55	8.50	-66.36
CCC[N@@H+](CCNC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300013052533	1	57	0.0	-73.68	419.77	8.52	-65.16
CCC[N@H+](CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C(C)C	REAL300013052534	0	53	0.0	-72.82	413.06	8.33	-64.49
CCC[N@@H+](CCNC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-])C(C)C	REAL300013052534	1	53	0.0	-72.01	412.73	8.41	-63.60
CCC[N@H+](CCNC(=O)NC(CCC(C)C)C(=O)[O-])C(C)C	REAL300013052535	0	55	0.0	-69.06	402.29	7.50	-61.56
CCC[N@@H+](CCNC(=O)NC(CCC(C)C)C(=O)[O-])C(C)C	REAL300013052535	1	55	0.0	-67.85	401.50	7.52	-60.33
CCC[N@H+](CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C(C)C	REAL300013052536	0	54	0.0	-49.28	388.10	8.72	-40.56
CCC[N@@H+](CCNC(=O)N1CC2(CCC2)CC1C(=O)[O-])C(C)C	REAL300013052536	1	54	0.0	-49.27	388.08	8.77	-40.50
CCC[N@H+](CCNC(=O)NC(CC1CCOC1)C(=O)[O-])C(C)C	REAL300013052537	0	54	0.0	-72.01	395.77	5.39	-66.62
CCC[N@@H+](CCNC(=O)NC(CC1CCOC1)C(=O)[O-])C(C)C	REAL300013052537	1	54	0.0	-68.78	392.74	5.04	-63.74
CCC[N@H+](CCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-])C(C)C	REAL300013052538	0	51	0.0	-71.90	382.41	8.50	-63.40
CCC[N@@H+](CCNC(=O)N1C[C@H](SC)C[C@H]1C(=O)[O-])C(C)C	REAL300013052538	1	51	0.0	-72.26	383.33	8.51	-63.75
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCCC2CC21)C(C)C	REAL300013052539	0	54	0.0	-73.61	377.33	8.22	-65.39
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCC2CC21)C(C)C	REAL300013052539	1	54	0.0	-70.55	379.70	8.01	-62.54
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CCC2CC21)C(C)C	REAL300013052540	0	51	0.0	-73.37	364.45	7.32	-66.05
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCC2CC21)C(C)C	REAL300013052540	1	51	0.0	-73.36	364.12	7.36	-66.00
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C(C)C	REAL300013052541	0	54	0.0	-72.02	385.48	7.69	-64.33
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC2(CCC2)C1)C(C)C	REAL300013052541	1	54	0.0	-70.90	384.41	7.72	-63.18
CCC[N@H+](CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300013052542	0	56	0.0	-68.21	408.28	10.36	-57.85
CCC[N@@H+](CCNC(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)[O-])C(C)C	REAL300013052542	1	56	0.0	-68.88	410.57	10.39	-58.49
CCC[N@H+](CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C(C)C	REAL300013052543	0	60	0.0	-49.92	416.23	9.75	-40.17
CCC[N@@H+](CCNC(=O)N1CC2(CC1C(=O)[O-])CCCCC2)C(C)C	REAL300013052543	1	60	0.0	-48.16	415.53	9.78	-38.38
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCC1)C(C)C	REAL300013052544	0	53	0.0	-70.79	376.95	6.84	-63.95
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCC1)C(C)C	REAL300013052544	1	53	0.0	-69.29	377.44	6.95	-62.34
CCC[N@H+](CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C)C	REAL300013052545	0	50	0.0	-69.77	370.66	4.57	-65.20
CCC[N@@H+](CCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C)C	REAL300013052545	1	50	0.0	-69.81	371.63	4.66	-65.15
CCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C(C)C	REAL300013052546	0	53	0.0	-53.86	398.89	10.19	-43.67
CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CC=C1)C(C)C	REAL300013052546	1	53	0.0	-53.92	398.10	10.21	-43.71
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)C(C)C	REAL300013052547	0	60	0.0	-69.65	450.47	10.82	-58.83
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)C(C)C	REAL300013052547	1	60	0.0	-70.08	451.95	10.90	-59.18
CCC[N@H+](CCNC(=O)N1CC(C)(C)CC1C(=O)[O-])C(C)C	REAL300013052548	0	53	0.0	-49.74	381.66	7.97	-41.77
CCC[N@@H+](CCNC(=O)N1CC(C)(C)CC1C(=O)[O-])C(C)C	REAL300013052548	1	53	0.0	-48.03	380.25	8.13	-39.90
CCC[N@H+](CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C(C)C	REAL300013052549	0	54	0.0	-55.15	403.95	9.83	-45.32
CCC[N@@H+](CCNC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-])C(C)C	REAL300013052549	1	54	0.0	-55.04	403.89	9.90	-45.14
CCC[N@H+](CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C(C)C	REAL300013052550	0	50	0.0	-76.87	363.71	8.88	-67.99
CCC[N@@H+](CCNC(=O)N1CCC(F)(F)CC1C(=O)[O-])C(C)C	REAL300013052550	1	50	0.0	-75.04	363.75	8.56	-66.48
CCC[N@H+](CCNC(=O)N1CCC(F)(F)C1C(=O)[O-])C(C)C	REAL300013052551	0	47	0.0	-77.60	350.79	7.44	-70.16
CCC[N@@H+](CCNC(=O)N1CCC(F)(F)C1C(=O)[O-])C(C)C	REAL300013052551	1	47	0.0	-78.29	352.06	7.47	-70.82
CCC[N@H+](CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C(C)C	REAL300013052552	0	53	0.0	-72.34	405.35	8.46	-63.88
CCC[N@@H+](CCNC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-])C(C)C	REAL300013052552	1	53	0.0	-71.35	406.07	8.50	-62.85
CCC[N@H+](CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C(C)C	REAL300013052553	0	50	0.0	-69.41	390.00	7.27	-62.14
CCC[N@@H+](CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C(C)C	REAL300013052553	1	50	0.0	-68.03	389.65	7.37	-60.66
CCC[N@H+](CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C(C)C	REAL300013052554	0	50	0.0	-67.80	368.69	7.90	-59.90
CCC[N@@H+](CCNC(=O)N1CC(F)(F)CC1(C)C(=O)[O-])C(C)C	REAL300013052554	1	50	0.0	-67.24	369.18	8.00	-59.24
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C(C)C	REAL300013052555	0	54	0.0	-73.27	404.37	8.07	-65.20
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1)C(C)C	REAL300013052555	1	54	0.0	-72.14	404.43	8.15	-63.99
CCC[N@H+](CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C(C)C	REAL300013052556	0	58	0.0	-73.22	427.64	9.76	-63.46
CCC[N@@H+](CCNC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-])C(C)C	REAL300013052556	1	58	0.0	-73.18	428.36	9.79	-63.39
CCC[N@H+](CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C(C)C	REAL300013052557	0	50	0.0	-69.41	390.00	7.27	-62.14
CCC[N@@H+](CCNC(=O)NC(CC1=CSC=C1)C(=O)[O-])C(C)C	REAL300013052557	1	50	0.0	-68.03	389.65	7.37	-60.66
CCC[N@H+](CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C(C)C	REAL300013052558	0	54	0.0	-77.75	377.23	8.31	-69.44
CCC[N@@H+](CCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C(C)C	REAL300013052558	1	54	0.0	-76.43	378.17	8.41	-68.02
CCC[N@H+](CCNC(=O)NC(CCCOC)C(=O)[O-])C(C)C	REAL300013052559	0	53	0.0	-68.80	397.13	5.22	-63.58
CCC[N@@H+](CCNC(=O)NC(CCCOC)C(=O)[O-])C(C)C	REAL300013052559	1	53	0.0	-67.71	396.35	5.23	-62.48
CCCC(C(=O)[O-])N(C)C(=O)NCC[N@H+](CCC)C(C)C	REAL300013052560	0	52	0.0	-65.39	374.15	8.31	-57.08
CCCC(C(=O)[O-])N(C)C(=O)NCC[N@@H+](CCC)C(C)C	REAL300013052560	1	52	0.0	-66.29	374.43	8.18	-58.11
CCC[N@H+](CCNC(=O)NC(COCC)C(=O)[O-])C(C)C	REAL300013052561	0	50	0.0	-71.20	375.68	4.59	-66.61
CCC[N@@H+](CCNC(=O)NC(COCC)C(=O)[O-])C(C)C	REAL300013052561	1	50	0.0	-70.04	374.89	4.61	-65.43
CCC[N@H+](CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C(C)C	REAL300013052562	0	55	0.0	-68.54	390.85	7.73	-60.81
CCC[N@@H+](CCNC(=O)NC(CC(C)(C)C)C(=O)[O-])C(C)C	REAL300013052562	1	55	0.0	-69.16	392.05	7.81	-61.35
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCO1)C(C)C	REAL300013052563	0	54	0.0	-71.70	389.48	5.47	-66.23
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C1CCCCO1)C(C)C	REAL300013052563	1	54	0.0	-71.35	392.11	5.56	-65.79
CCC[N@H+](CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C(C)C	REAL300013052564	0	54	0.0	-72.01	395.86	8.78	-63.23
CCC[N@@H+](CCNC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1)C(C)C	REAL300013052564	1	54	0.0	-71.19	397.12	8.81	-62.38
CCC[N@H+](CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C(C)C	REAL300013052565	0	51	0.0	-76.34	363.81	6.87	-69.47
CCC[N@@H+](CCNC(=O)N1CCO[C@H](C)[C@H]1C(=O)[O-])C(C)C	REAL300013052565	1	51	0.0	-74.88	363.95	6.75	-68.13
CCC[N@H+](CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C(C)C	REAL300013052566	0	53	0.0	-71.62	382.55	8.23	-63.39
CCC[N@@H+](CCNC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-])C(C)C	REAL300013052566	1	53	0.0	-70.97	382.51	8.28	-62.69
CCC[N@H+](CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C(C)C	REAL300013052567	0	64	0.0	-73.32	433.21	9.43	-63.89
CCC[N@@H+](CCNC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2)C(C)C	REAL300013052567	1	64	0.0	-71.84	433.51	9.60	-62.24
CCC[N@H+](CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C(C)C	REAL300013052568	0	56	0.0	-74.06	429.08	8.58	-65.48
CCC[N@@H+](CCNC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-])C(C)C	REAL300013052568	1	56	0.0	-72.65	429.57	8.68	-63.97
CCC[N@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C(C)C	REAL300013052569	0	50	0.0	-54.76	379.25	8.28	-46.48
CCC[N@@H+](CCNC(=O)N(CC(=O)[O-])CC1=CC=CO1)C(C)C	REAL300013052569	1	50	0.0	-54.84	379.82	8.37	-46.47
CCC[N@H+](CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C(C)C	REAL300013052570	0	61	0.0	-77.31	413.12	9.12	-68.19
CCC[N@@H+](CCNC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-])C(C)C	REAL300013052570	1	61	0.0	-75.10	413.73	8.85	-66.25
CCC[N@H+](CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C(C)C	REAL300013052571	0	52	0.0	-66.14	410.83	6.96	-59.18
CCC[N@@H+](CCNC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-])C(C)C	REAL300013052571	1	52	0.0	-68.91	410.65	7.10	-61.81
CCC[N@H+](CCNC(=O)N1C[C@H](OCC)C[C@H]1C(=O)[O-])C(C)C	REAL300013052572	0	54	0.0	-74.99	395.26	6.92	-68.07
CCC[N@@H+](CCNC(=O)N1C[C@H](OCC)C[C@H]1C(=O)[O-])C(C)C	REAL300013052572	1	54	0.0	-74.94	395.87	6.99	-67.95
CC1=CC(F)=NC=C1CNC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013052981	0	52	0.0	-64.93	410.03	6.34	-58.59
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CC[C@H](C3=CC=CC=C3)C2)CC1	REAL300013053275	0	60	0.0	-62.62	452.08	9.80	-52.82
C[C@@H](NC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)[O-])C1=CC=CC=C1F	REAL300013054115	0	53	0.0	-63.88	413.09	8.34	-55.54
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC(=C(F)F)CC2)CC1	REAL300013054391	0	54	0.0	-58.31	410.96	7.48	-50.83
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CCC3(CC3)CC2)CC1	REAL300013054626	0	57	0.0	-62.58	425.08	8.41	-54.17
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@H]2C[C@H](CF)C2)CC1	REAL300013054804	0	50	0.0	-66.14	385.61	6.65	-59.49
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2CC3(C2)CNC(=O)O3)CC1	REAL300013055001	0	53	0.0	-67.14	411.38	2.74	-64.40
CC(C)C1CC(NC(=O)N(CCN2CC[NH+](C)CC2)CC(=O)[O-])C1	REAL300013055206	0	56	0.0	-62.27	419.91	7.79	-54.48
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)N[C@@H]2CCOC2)CC1	REAL300013055335	0	48	0.0	-62.71	366.28	3.94	-58.77
COC12CCCC(CC(NC(=O)N(CCN3CC[NH+](C)CC3)CC(=O)[O-])C1)C2	REAL300013056071	0	64	0.0	-63.03	453.85	7.21	-55.82
C[NH+]1CCN(CCN(CC(=O)[O-])C(=O)NC2COC3(C2)CCCCC3)CC1	REAL300013056359	0	61	0.0	-60.74	446.15	7.31	-53.43
C[NH+](C)CC(NC(=O)NC1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300013056668	0	39	0.0	-62.24	331.39	5.06	-57.18
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OC(F)F)C(F)=C1	REAL300013056680	0	46	0.0	-56.82	372.79	7.00	-49.82
C[NH+](C)CC(NC(=O)NC1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300013056681	0	39	0.0	-62.24	331.39	5.06	-57.18
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2CCCO2)C=C1)C(=O)[O-]	REAL300013056973	0	50	0.0	-60.51	394.80	6.07	-54.44
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OCC2CCCO2)C=C1	REAL300013056985	0	57	0.0	-57.20	435.84	7.90	-49.30
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2CCCO2)C=C1)C(=O)[O-]	REAL300013056986	0	50	0.0	-60.51	394.80	6.07	-54.44
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=NC=CS2)=C1)C(=O)[O-]	REAL300013057277	0	41	0.0	-67.77	350.32	6.36	-61.41
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C2=NC=CS2)=C1	REAL300013057289	0	48	0.0	-58.63	391.35	8.22	-50.41
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=NC=CS2)=C1)C(=O)[O-]	REAL300013057290	0	41	0.0	-67.77	350.32	6.36	-61.41
C[NH+](C)CC(NC(=O)NC1=CC(F)=C(N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300013057572	0	47	0.0	-58.88	372.80	5.94	-52.94
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC(F)=C(N2CCCC2)C(F)=C1	REAL300013057582	0	54	0.0	-56.92	414.47	7.96	-48.96
C[NH+](C)CC(NC(=O)NC1=CC(F)=C(N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300013057583	0	47	0.0	-58.88	372.80	5.94	-52.94
CCS(=O)(=O)NC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C	REAL300013057818	0	49	0.0	-67.15	398.12	3.88	-63.27
CCS(=O)(=O)NC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C	REAL300013057826	0	49	0.0	-67.15	398.12	3.88	-63.27
CCS(=O)(=O)NC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OC	REAL300013057999	0	50	0.0	-67.09	408.60	2.35	-64.74
CCS(=O)(=O)NC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OC	REAL300013058003	0	50	0.0	-67.09	408.60	2.35	-64.74
COCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013058201	0	46	0.0	-62.36	386.54	5.55	-56.81
COCCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1Cl	REAL300013058211	0	53	0.0	-55.47	428.66	7.38	-48.09
COCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013058212	0	46	0.0	-62.36	386.54	5.55	-56.81
COC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1C	REAL300013058447	0	49	0.0	-52.91	377.47	7.47	-45.44
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=C1C	REAL300013058450	0	56	0.0	-61.38	425.71	10.31	-51.07
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1C	REAL300013058450	1	56	0.0	-53.08	419.67	9.83	-43.25
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCC2=CC=CC(F)=C2)=C1)C(=O)[O-]	REAL300013058683	0	49	0.0	-66.30	404.08	8.81	-57.49
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCC2=CC=CC(F)=C2)=C1)C(=O)[O-]	REAL300013058690	0	49	0.0	-66.30	404.08	8.81	-57.49
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300013058932	0	47	0.0	-64.04	367.93	5.94	-58.10
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(N2CCCC2)C(F)=C1	REAL300013058944	0	54	0.0	-61.11	407.83	7.75	-53.36
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300013058945	0	47	0.0	-64.04	367.93	5.94	-58.10
CC1=NC(C2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)=NO1	REAL300013059250	0	43	0.0	-66.62	358.20	4.77	-61.85
CC1=NC(C2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C2)=NO1	REAL300013059262	0	50	0.0	-62.23	399.50	6.64	-55.59
CC1=NC(C2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)=NO1	REAL300013059263	0	43	0.0	-66.62	358.20	4.77	-61.85
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300013059537	0	46	0.0	-58.69	382.15	8.38	-50.31
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300013059547	0	46	0.0	-58.69	382.15	8.38	-50.31
CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013059800	0	42	0.0	-61.83	343.71	5.77	-56.06
CCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300013059810	0	49	0.0	-54.28	385.23	7.62	-46.66
CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013059811	0	42	0.0	-61.83	343.71	5.77	-56.06
CC1=C(C)OC(C2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)=N1	REAL300013060116	0	47	0.0	-67.77	383.60	5.33	-62.44
CC1=C(C)OC(C2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C2)=N1	REAL300013060128	0	54	0.0	-67.41	426.50	7.28	-60.13
CC1=C(C)OC(C2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)=N1	REAL300013060129	0	47	0.0	-67.77	383.60	5.33	-62.44
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCCCC2)C(Cl)=C1)C(=O)[O-]	REAL300013060377	0	50	0.0	-56.99	399.59	7.74	-49.25
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCCCC2)C(Cl)=C1)C(=O)[O-]	REAL300013060386	0	50	0.0	-56.99	399.59	7.74	-49.25
C[NH+](C)CC(NC(=O)NC1=CC=CC(S(C)=O)=C1)C(=O)[O-]	REAL300013060625	0	40	0.0	-60.75	338.05	4.06	-56.69
CS(=O)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013060635	0	47	0.0	-65.11	379.04	5.92	-59.19
C[NH+](C)CC(NC(=O)NC1=CC=CC(S(C)=O)=C1)C(=O)[O-]	REAL300013060636	0	40	0.0	-60.75	338.05	4.06	-56.69
COCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013060945	0	46	0.0	-64.91	377.34	5.04	-59.87
COCCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300013060957	0	53	0.0	-55.74	418.51	6.93	-48.81
COCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013060958	0	46	0.0	-64.91	377.34	5.04	-59.87
C=CCOC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013061231	0	43	0.0	-64.83	350.65	6.27	-58.56
C=CCOC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013061241	0	50	0.0	-60.45	391.54	8.19	-52.26
C=CCOC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013061242	0	43	0.0	-64.83	350.65	6.27	-58.56
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2OCCC2=C1	REAL300013061510	0	47	0.0	-54.10	364.06	7.20	-46.90
O=C([O-])C1(NC(=O)NC2=CC=C3OCCC3=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013061513	0	54	0.0	-53.52	406.04	9.64	-43.88
O=C([O-])C1(NC(=O)NC2=CC=C3OCCC3=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013061513	1	54	0.0	-62.02	411.73	10.13	-51.89
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300013061787	0	48	0.0	-63.04	388.88	7.12	-55.92
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300013061797	0	55	0.0	-57.89	430.74	8.89	-49.00
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300013061798	0	48	0.0	-63.04	388.88	7.12	-55.92
CC1=CC=NN1C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013062083	0	45	0.0	-71.66	365.09	7.11	-64.55
CC1=CC=NN1C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013062095	0	52	0.0	-61.59	404.38	8.92	-52.67
CC1=CC=NN1C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013062096	0	45	0.0	-71.66	365.09	7.11	-64.55
CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C	REAL300013062386	0	45	0.0	-60.56	357.23	6.45	-54.11
CCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1C	REAL300013062396	0	52	0.0	-55.67	398.71	8.33	-47.34
CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C	REAL300013062397	0	45	0.0	-60.56	357.23	6.45	-54.11
CCN1N=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013062708	0	44	0.0	-60.28	357.71	6.36	-53.92
CCN1N=CC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C21	REAL300013062719	0	51	0.0	-55.52	398.96	8.22	-47.30
CCN1N=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013062720	0	44	0.0	-60.28	357.71	6.36	-53.92
COCCN1N=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013063024	0	48	0.0	-61.40	391.07	5.43	-55.97
COCCN1N=CC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C21	REAL300013063036	0	55	0.0	-56.06	432.91	7.23	-48.83
COCCN1N=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013063037	0	48	0.0	-61.40	391.07	5.43	-55.97
CC1=C(Cl)C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013063328	0	38	0.0	-55.98	335.35	7.10	-48.88
CC1=C(Cl)C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1Cl	REAL300013063340	0	45	0.0	-53.93	376.77	8.92	-45.01
CC1=C(Cl)C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013063341	0	38	0.0	-55.98	335.35	7.10	-48.88
CC(C)CCOC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013063647	0	51	0.0	-63.79	397.72	7.80	-55.99
CC(C)CCOC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013063659	0	58	0.0	-60.27	439.55	9.66	-50.61
CC(C)CCOC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013063660	0	51	0.0	-63.79	397.72	7.80	-55.99
CC(C)C1=NC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2S1	REAL300013063951	0	46	0.0	-59.64	382.01	7.07	-52.57
CC(C)C1=NC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2S1	REAL300013063963	0	53	0.0	-57.39	423.81	8.93	-48.46
CC(C)C1=NC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2S1	REAL300013063964	0	46	0.0	-59.64	382.01	7.07	-52.57
C[NH+](C)CC(NC(=O)NC1=CC=CC(COC2CCCCC2)=C1)C(=O)[O-]	REAL300013064218	0	55	0.0	-56.38	424.35	8.89	-47.49
C[NH+](C)CC(NC(=O)NC1=CC=CC(COC2CCCCC2)=C1)C(=O)[O-]	REAL300013064228	0	55	0.0	-56.38	424.35	8.89	-47.49
CC(C)CN1C=CC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C21	REAL300013064486	0	51	0.0	-59.93	395.79	9.16	-50.77
CC(C)CN1C=CC2=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=CC=C21	REAL300013064498	0	58	0.0	-55.66	443.13	11.34	-44.32
CC(C)CN1C=CC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C21	REAL300013064499	0	51	0.0	-59.93	395.79	9.16	-50.77
CC(C)OCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013064791	0	48	0.0	-59.81	383.52	6.89	-52.92
CC(C)OCC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013064802	0	55	0.0	-53.16	424.02	8.77	-44.39
CC(C)OCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013064803	0	48	0.0	-59.81	383.52	6.89	-52.92
C[NH+](C)CC(NC(=O)NC1=CC=CC(COCC2CC2)=C1)C(=O)[O-]	REAL300013065118	0	49	0.0	-57.57	393.71	7.68	-49.89
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(COCC2CC2)=C1	REAL300013065130	0	56	0.0	-53.34	435.43	9.59	-43.75
C[NH+](C)CC(NC(=O)NC1=CC=CC(COCC2CC2)=C1)C(=O)[O-]	REAL300013065131	0	49	0.0	-57.57	393.71	7.68	-49.89
CC(C)OCCOCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013065393	0	55	0.0	-62.31	439.00	7.11	-55.20
CC(C)OCCOCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013065402	0	55	0.0	-62.31	439.00	7.11	-55.20
CCCS(=O)(=O)NC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013065612	0	49	0.0	-61.75	402.76	3.97	-57.78
CCCS(=O)(=O)NC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013065620	0	49	0.0	-61.75	402.76	3.97	-57.78
C[NH+](C)CC(NC(=O)NC1=CC=C2N=C(C3CC3)SC2=C1)C(=O)[O-]	REAL300013065867	0	44	0.0	-63.47	371.24	7.33	-56.14
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2N=C(C3CC3)SC2=C1	REAL300013065879	0	51	0.0	-59.67	412.07	9.20	-50.47
C[NH+](C)CC(NC(=O)NC1=CC=C2N=C(C3CC3)SC2=C1)C(=O)[O-]	REAL300013065880	0	44	0.0	-63.47	371.24	7.33	-56.14
C[NH+](C)CC(NC(=O)NC1=CC=CC(COCCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013066184	0	55	0.0	-57.53	443.86	10.04	-47.49
C[NH+](C)CC(NC(=O)NC1=CC=CC(COCCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013066190	0	55	0.0	-57.53	443.86	10.04	-47.49
CC1CCCC(OCC2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)C1	REAL300013066358	0	58	0.0	-56.76	443.73	9.64	-47.12
CC1CCCC(OCC2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)C1	REAL300013066365	0	58	0.0	-56.76	443.73	9.64	-47.12
CCCN1C=CC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C21	REAL300013066609	0	48	0.0	-59.98	383.77	8.90	-51.08
CCCN1C=CC2=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=CC=C21	REAL300013066621	0	55	0.0	-56.06	424.49	10.71	-45.35
CCCN1C=CC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C21	REAL300013066622	0	48	0.0	-59.98	383.77	8.90	-51.08
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2=CC=CC=N2)C(Cl)=C1)C(=O)[O-]	REAL300013066837	0	48	0.0	-64.20	405.91	7.61	-56.59
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2=CC=CC=N2)C(Cl)=C1)C(=O)[O-]	REAL300013066840	0	48	0.0	-64.20	405.91	7.61	-56.59
CC(C)N1N=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013067057	0	47	0.0	-60.30	377.38	7.03	-53.27
CC(C)N1N=CC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C21	REAL300013067069	0	54	0.0	-57.82	418.86	8.93	-48.89
CC(C)N1N=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013067070	0	47	0.0	-60.30	377.38	7.03	-53.27
C[NH+](C)CC(NC(=O)NC1=CC=CC(CS(C)(=O)=O)=C1)C(=O)[O-]	REAL300013067377	0	44	0.0	-70.42	371.36	3.63	-66.79
CS(=O)(=O)CC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013067389	0	51	0.0	-62.66	412.23	5.50	-57.16
C[NH+](C)CC(NC(=O)NC1=CC=CC(CS(C)(=O)=O)=C1)C(=O)[O-]	REAL300013067390	0	44	0.0	-70.42	371.36	3.63	-66.79
C[NH+](C)CC(NC(=O)NC1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300013067682	0	44	0.0	-68.58	371.05	3.79	-64.79
CS(=O)(=O)CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013067694	0	51	0.0	-66.96	412.53	5.50	-61.46
C[NH+](C)CC(NC(=O)NC1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300013067695	0	44	0.0	-68.58	371.05	3.79	-64.79
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCCC2)C(Cl)=C1)C(=O)[O-]	REAL300013067966	0	47	0.0	-61.41	375.01	6.50	-54.91
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(N2CCCC2)C(Cl)=C1	REAL300013067976	0	54	0.0	-58.79	415.45	8.19	-50.60
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCCC2)C(Cl)=C1)C(=O)[O-]	REAL300013067977	0	47	0.0	-61.41	375.01	6.50	-54.91
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCSCC2)C(Cl)=C1)C(=O)[O-]	REAL300013068185	0	48	0.0	-61.53	400.45	7.61	-53.92
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCSCC2)C(Cl)=C1)C(=O)[O-]	REAL300013068191	0	48	0.0	-61.53	400.45	7.61	-53.92
CC1=CC=C(OC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)N=C1	REAL300013068401	0	48	0.0	-60.25	394.31	6.53	-53.72
CC1=CC=C(OC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2)N=C1	REAL300013068411	0	55	0.0	-59.73	434.98	8.26	-51.47
CC1=CC=C(OC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)N=C1	REAL300013068412	0	48	0.0	-60.25	394.31	6.53	-53.72
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1N1CCSCC1	REAL300013068654	0	51	0.0	-59.22	404.46	7.99	-51.23
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1N1CCSCC1	REAL300013068663	0	51	0.0	-59.22	404.46	7.99	-51.23
CC1=CSC(C2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)=N1	REAL300013068916	0	44	0.0	-63.93	372.62	6.91	-57.02
CC1=CSC(C2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C2)=N1	REAL300013068928	0	51	0.0	-56.55	413.11	8.80	-47.75
CC1=CSC(C2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)=N1	REAL300013068929	0	44	0.0	-63.93	372.62	6.91	-57.02
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2=CC=CC=C2F)C=C1)C(=O)[O-]	REAL300013069157	0	49	0.0	-58.06	401.22	8.99	-49.07
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2=CC=CC=C2F)C=C1)C(=O)[O-]	REAL300013069164	0	49	0.0	-58.06	401.22	8.99	-49.07
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300013069373	0	55	0.0	-57.75	421.00	9.06	-48.69
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300013069383	0	55	0.0	-57.75	421.00	9.06	-48.69
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCC2=CSC=N2)=C1)C(=O)[O-]	REAL300013069611	0	45	0.0	-65.03	380.76	5.83	-59.20
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCC2=CSC=N2)=C1)C(=O)[O-]	REAL300013069621	0	45	0.0	-65.03	380.76	5.83	-59.20
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCC3=C(C=CS3)C2)C=C1)C(=O)[O-]	REAL300013069802	0	51	0.0	-59.90	402.69	7.42	-52.48
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCC3=C(C=CS3)C2)C=C1)C(=O)[O-]	REAL300013069806	0	51	0.0	-59.90	402.69	7.42	-52.48
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCCS(C)(=O)=O)=C1)C(=O)[O-]	REAL300013069976	0	48	0.0	-71.12	400.79	3.25	-67.87
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCCS(C)(=O)=O)=C1)C(=O)[O-]	REAL300013069984	0	48	0.0	-71.12	400.79	3.25	-67.87
COC1=C(Cl)C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013070220	0	39	0.0	-57.60	351.40	6.04	-51.56
COC1=C(Cl)C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1Cl	REAL300013070232	0	46	0.0	-54.48	393.25	7.87	-46.61
COC1=C(Cl)C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013070233	0	39	0.0	-57.60	351.40	6.04	-51.56
CC1=NN(C2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)C=C1	REAL300013070527	0	45	0.0	-72.12	366.14	7.26	-64.86
CC1=NN(C2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C2)C=C1	REAL300013070539	0	52	0.0	-59.61	408.19	9.21	-50.40
CC1=NN(C2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)C=C1	REAL300013070540	0	45	0.0	-72.12	366.14	7.26	-64.86
CC1=NN=NN1C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300013070835	0	43	0.0	-66.97	360.87	5.60	-61.37
CC1=NN=NN1C1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1F	REAL300013070847	0	50	0.0	-60.60	403.32	7.61	-52.99
CC1=NN=NN1C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300013070848	0	43	0.0	-66.97	360.87	5.60	-61.37
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1N1N=NN=C1C	REAL300013071102	0	47	0.0	-67.94	384.36	4.90	-63.04
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1N1N=NN=C1C	REAL300013071112	0	47	0.0	-67.94	384.36	4.90	-63.04
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300013071342	0	38	0.0	-57.47	320.01	6.40	-51.07
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C(F)F)=C1	REAL300013071352	0	45	0.0	-54.52	359.01	8.19	-46.33
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300013071353	0	38	0.0	-57.47	320.01	6.40	-51.07
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OCC(F)F	REAL300013071651	0	45	0.0	-63.01	370.33	6.73	-56.28
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1OCC(F)F	REAL300013071663	0	52	0.0	-58.11	411.26	8.61	-49.50
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OCC(F)F	REAL300013071664	0	45	0.0	-63.01	370.33	6.73	-56.28
CCOCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013071937	0	45	0.0	-58.80	362.77	6.17	-52.63
CCOCC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013071947	0	52	0.0	-53.28	403.75	8.01	-45.27
CCOCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013071948	0	45	0.0	-58.80	362.77	6.17	-52.63
CSCC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013072265	0	42	0.0	-56.72	352.27	7.41	-49.31
CSCC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013072275	0	49	0.0	-56.26	393.63	9.19	-47.07
CSCC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013072276	0	42	0.0	-56.72	352.27	7.41	-49.31
CSCCC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013072585	0	45	0.0	-58.48	373.89	8.21	-50.27
CSCCC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013072596	0	52	0.0	-56.11	415.37	9.91	-46.20
CSCCC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013072597	0	45	0.0	-58.48	373.89	8.21	-50.27
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Br	REAL300013072880	0	39	0.0	-63.22	335.77	5.42	-57.80
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Br	REAL300013072890	0	39	0.0	-63.22	335.77	5.42	-57.80
C[NH+](C)CC(NC(=O)NC1=CC=CC(S(=O)(=O)C(F)F)=C1)C(=O)[O-]	REAL300013073129	0	41	0.0	-61.69	359.69	3.40	-58.29
C[NH+](C)CC(NC(=O)NC1=CC=CC(S(=O)(=O)C(F)F)=C1)C(=O)[O-]	REAL300013073139	0	41	0.0	-61.69	359.69	3.40	-58.29
C[NH+](C)CC(NC(=O)NC1=CC=CC(SC(F)F)=C1)C(=O)[O-]	REAL300013073403	0	39	0.0	-62.51	335.62	6.74	-55.77
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(SC(F)F)=C1	REAL300013073415	0	46	0.0	-59.15	377.46	8.62	-50.53
C[NH+](C)CC(NC(=O)NC1=CC=CC(SC(F)F)=C1)C(=O)[O-]	REAL300013073416	0	39	0.0	-62.51	335.62	6.74	-55.77
C=C(C)COC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013073724	0	46	0.0	-64.52	369.19	7.08	-57.44
C=C(C)COC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013073735	0	53	0.0	-61.31	411.30	8.96	-52.35
C=C(C)COC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013073736	0	46	0.0	-64.52	369.19	7.08	-57.44
COC1=NC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2C=C1	REAL300013074057	0	44	0.0	-60.59	359.18	4.34	-56.25
COC1=NC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2C=C1	REAL300013074069	0	51	0.0	-56.10	401.38	6.20	-49.90
COC1=NC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2C=C1	REAL300013074070	0	44	0.0	-60.59	359.18	4.34	-56.25
CSC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013074384	0	39	0.0	-63.39	341.01	6.95	-56.44
CSC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1Cl	REAL300013074396	0	46	0.0	-53.37	382.85	8.80	-44.57
CSC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013074397	0	39	0.0	-63.39	341.01	6.95	-56.44
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCOCC2)C(F)=C1)C(=O)[O-]	REAL300013074684	0	48	0.0	-63.78	379.90	4.60	-59.18
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(N2CCOCC2)C(F)=C1	REAL300013074694	0	55	0.0	-54.74	421.73	6.46	-48.28
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCOCC2)C(F)=C1)C(=O)[O-]	REAL300013074695	0	48	0.0	-63.78	379.90	4.60	-59.18
COC1=CC(Br)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013074949	0	39	0.0	-57.27	336.82	5.51	-51.76
COC1=CC(Br)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013074959	0	39	0.0	-57.27	336.82	5.51	-51.76
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2=CC=CC(F)=C2)C(F)=C1)C(=O)[O-]	REAL300013075141	0	49	0.0	-59.08	409.72	8.89	-50.19
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2=CC=CC(F)=C2)C(F)=C1)C(=O)[O-]	REAL300013075144	0	49	0.0	-59.08	409.72	8.89	-50.19
COC1=CC=C(SC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)C=C1	REAL300013075267	0	50	0.0	-59.84	416.13	8.81	-51.03
COC1=CC=C(SC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)C=C1	REAL300013075270	0	50	0.0	-59.84	416.13	8.81	-51.03
C[NH+](C)CC(NC(=O)NC1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300013075453	0	49	0.0	-63.17	400.24	7.48	-55.69
C[NH+](C)CC(NC(=O)NC1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300013075463	0	49	0.0	-63.17	400.24	7.48	-55.69
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=NC=CO2)=C1)C(=O)[O-]	REAL300013075728	0	41	0.0	-66.97	342.53	3.96	-63.01
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C2=NC=CO2)=C1	REAL300013075738	0	48	0.0	-62.57	383.42	5.87	-56.70
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=NC=CO2)=C1)C(=O)[O-]	REAL300013075739	0	41	0.0	-66.97	342.53	3.96	-63.01
C#CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013076037	0	41	0.0	-58.75	343.37	6.32	-52.43
C#CCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013076047	0	48	0.0	-56.50	384.66	8.07	-48.43
C#CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013076048	0	41	0.0	-58.75	343.37	6.32	-52.43
C#CCOC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013076340	0	41	0.0	-66.85	343.54	6.24	-60.61
C#CCOC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013076350	0	48	0.0	-62.46	384.42	8.15	-54.31
C#CCOC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013076351	0	41	0.0	-66.85	343.54	6.24	-60.61
C[NH+](C)CC(NC(=O)NC1=CC=C2OC(CC(C)(C)C)=NC2=C1)C(=O)[O-]	REAL300013076610	0	52	0.0	-66.25	407.80	5.97	-60.28
C[NH+](C)CC(NC(=O)NC1=CC=C2OC(CC(C)(C)C)=NC2=C1)C(=O)[O-]	REAL300013076620	0	52	0.0	-66.25	407.80	5.97	-60.28
CSCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013076865	0	42	0.0	-59.02	351.93	7.36	-51.66
CSCC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013076875	0	49	0.0	-53.44	393.33	9.17	-44.27
CSCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013076876	0	42	0.0	-59.02	351.93	7.36	-51.66
COC1=CC(F)=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013077143	0	46	0.0	-56.54	363.55	6.72	-49.82
C[NH+](C)CC(NC(=O)NC1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300013077408	0	35	0.0	-61.68	322.44	6.51	-55.17
C[NH+](C)CC(NC(=O)NC1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300013077418	0	35	0.0	-61.68	322.44	6.51	-55.17
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2COCC2=C1	REAL300013077638	0	47	0.0	-54.32	362.81	6.62	-47.70
O=C([O-])C1(NC(=O)NC2=CC=C3COCC3=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013077641	0	54	0.0	-53.08	406.11	9.07	-44.01
O=C([O-])C1(NC(=O)NC2=CC=C3COCC3=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013077641	1	54	0.0	-62.34	412.05	9.56	-52.78
C[NH+](C)CC(NC(=O)NC1=CC=C(COC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300013077915	0	49	0.0	-58.09	397.42	8.80	-49.29
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(COC2=CC=CC=C2)C=C1	REAL300013077925	0	56	0.0	-57.58	438.78	10.59	-46.99
C[NH+](C)CC(NC(=O)NC1=CC=C(COC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300013077926	0	49	0.0	-58.09	397.42	8.80	-49.29
C[NH+](C)CC(NC(=O)NC1=CC=CC(OC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300013078205	0	45	0.0	-67.62	372.63	5.90	-61.72
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300013078217	0	52	0.0	-58.87	414.52	7.79	-51.08
C[NH+](C)CC(NC(=O)NC1=CC=CC(OC2=CC=CC=N2)=C1)C(=O)[O-]	REAL300013078218	0	45	0.0	-67.62	372.63	5.90	-61.72
C[NH+](C)CC(NC(=O)NC1=CC=C2CCCC(=O)C2=C1)C(=O)[O-]	REAL300013078511	0	44	0.0	-64.93	351.06	7.09	-57.84
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2CCCC(=O)C2=C1	REAL300013078522	0	51	0.0	-61.45	391.77	8.92	-52.53
C[NH+](C)CC(NC(=O)NC1=CC=C2CCCC(=O)C2=C1)C(=O)[O-]	REAL300013078523	0	44	0.0	-64.93	351.06	7.09	-57.84
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300013078745	0	49	0.0	-64.43	413.85	9.28	-55.15
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300013078748	0	49	0.0	-64.43	413.85	9.28	-55.15
CC(C)S(=O)(=O)CC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013078916	0	50	0.0	-68.94	409.88	5.12	-63.82
CC(C)S(=O)(=O)CC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013078924	0	50	0.0	-68.94	409.88	5.12	-63.82
CCS(=O)(=O)C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013079187	0	44	0.0	-63.45	368.01	3.89	-59.56
CCS(=O)(=O)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013079199	0	51	0.0	-62.36	409.35	5.71	-56.65
CCS(=O)(=O)C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013079200	0	44	0.0	-63.45	368.01	3.89	-59.56
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2CC2)C=C1)C(=O)[O-]	REAL300013079493	0	46	0.0	-58.03	369.44	7.25	-50.78
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OCC2CC2)C=C1	REAL300013079504	0	53	0.0	-55.59	410.80	9.03	-46.56
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2CC2)C=C1)C(=O)[O-]	REAL300013079505	0	46	0.0	-58.03	369.44	7.25	-50.78
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OC(F)F	REAL300013079826	0	42	0.0	-59.14	345.43	5.82	-53.32
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1OC(F)F	REAL300013079838	0	49	0.0	-55.00	386.14	7.64	-47.36
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OC(F)F	REAL300013079839	0	42	0.0	-59.14	345.43	5.82	-53.32
CCSC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013080130	0	42	0.0	-63.80	347.47	7.34	-56.46
CCSC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013080140	0	49	0.0	-60.32	389.32	9.21	-51.11
CCSC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013080141	0	42	0.0	-63.80	347.47	7.34	-56.46
C[NH+](C)CC(NC(=O)NC1=CC=C2SN=CC2=C1)C(=O)[O-]	REAL300013080430	0	37	0.0	-60.89	317.61	5.74	-55.15
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2SN=CC2=C1	REAL300013080440	0	44	0.0	-57.89	359.39	7.51	-50.38
C[NH+](C)CC(NC(=O)NC1=CC=C2SN=CC2=C1)C(=O)[O-]	REAL300013080441	0	37	0.0	-60.89	317.61	5.74	-55.15
C[NH+](C)CC(NC(=O)NC1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300013080754	0	41	0.0	-57.40	347.39	7.25	-50.15
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(CC(F)(F)F)C=C1	REAL300013080766	0	48	0.0	-56.75	388.48	9.09	-47.66
C[NH+](C)CC(NC(=O)NC1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300013080767	0	41	0.0	-57.40	347.39	7.25	-50.15
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC2=NNC=C21	REAL300013081056	0	41	0.0	-62.26	332.68	4.85	-57.41
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC2=NNC=C21	REAL300013081066	0	48	0.0	-59.01	375.17	6.66	-52.35
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC2=NNC=C21	REAL300013081067	0	41	0.0	-62.26	332.68	4.85	-57.41
C[NH+](C)CC(NC(=O)NC1=CC=CC(CS(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013081353	0	50	0.0	-70.88	419.70	8.03	-62.85
C[NH+](C)CC(NC(=O)NC1=CC=CC(CS(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013081356	0	50	0.0	-70.88	419.70	8.03	-62.85
C[NH+](C)CC(NC(=O)NC1=CC=CC(CS(=O)C(C)(C)C)=C1)C(=O)[O-]	REAL300013081529	0	52	0.0	-69.15	417.83	6.68	-62.47
C[NH+](C)CC(NC(=O)NC1=CC=CC(CS(=O)C(C)(C)C)=C1)C(=O)[O-]	REAL300013081538	0	52	0.0	-69.15	417.83	6.68	-62.47
COCCS(=O)CC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013081748	0	50	0.0	-73.78	416.63	4.68	-69.10
COCCS(=O)CC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013081756	0	50	0.0	-73.78	416.63	4.68	-69.10
CC1=CC=NC(C2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)=N1	REAL300013082010	0	46	0.0	-68.65	377.16	7.39	-61.26
CC1=CC=NC(C2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C2)=N1	REAL300013082022	0	53	0.0	-60.49	417.58	9.27	-51.22
CC1=CC=NC(C2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)=N1	REAL300013082023	0	46	0.0	-68.65	377.16	7.39	-61.26
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC1CCOCC1	REAL300013082278	0	53	0.0	-62.81	408.51	6.57	-56.24
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC1CCOCC1	REAL300013082288	0	53	0.0	-62.81	408.51	6.57	-56.24
C[NH+](C)CC(NC(=O)NC1=CC=CC(CSC2CCOCC2)=C1)C(=O)[O-]	REAL300013082479	0	53	0.0	-59.95	424.56	8.40	-51.55
C[NH+](C)CC(NC(=O)NC1=CC=CC(CSC2CCOCC2)=C1)C(=O)[O-]	REAL300013082485	0	53	0.0	-59.95	424.56	8.40	-51.55
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2CCOCC2)C=C1)C(=O)[O-]	REAL300013082707	0	53	0.0	-57.96	411.91	6.75	-51.21
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2CCOCC2)C=C1)C(=O)[O-]	REAL300013082717	0	53	0.0	-57.96	411.91	6.75	-51.21
C[NH+](C)CC(NC(=O)NC1=CC=C(COCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300013082932	0	52	0.0	-58.08	423.29	9.22	-48.86
C[NH+](C)CC(NC(=O)NC1=CC=C(COCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300013082940	0	52	0.0	-58.08	423.29	9.22	-48.86
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300013083160	0	45	0.0	-59.11	376.81	6.91	-52.20
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300013083170	0	45	0.0	-59.11	376.81	6.91	-52.20
CCCS(=O)(=O)NC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013083386	0	49	0.0	-64.06	406.19	3.80	-60.26
CCCS(=O)(=O)NC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013083394	0	49	0.0	-64.06	406.19	3.80	-60.26
CCN1N=NN=C1C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013083641	0	46	0.0	-75.50	370.25	5.58	-69.92
CCN1N=NN=C1C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013083653	0	53	0.0	-62.63	412.56	7.51	-55.12
CCN1N=NN=C1C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013083654	0	46	0.0	-75.50	370.25	5.58	-69.92
C[NH+](C)CC(NC(=O)NC1=CC=C(COC2CCCC2)C=C1)C(=O)[O-]	REAL300013083935	0	52	0.0	-56.10	408.08	8.31	-47.79
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(COC2CCCC2)C=C1	REAL300013083947	0	59	0.0	-56.57	449.12	10.09	-46.48
C[NH+](C)CC(NC(=O)NC1=CC=C(COC2CCCC2)C=C1)C(=O)[O-]	REAL300013083948	0	52	0.0	-56.10	408.08	8.31	-47.79
C[NH+](C)CC(NC(=O)NC1=CC=C(F)C(N2N=NN=C2C2CC2)=C1)C(=O)[O-]	REAL300013084171	0	47	0.0	-64.32	393.63	7.18	-57.14
C[NH+](C)CC(NC(=O)NC1=CC=C(F)C(N2N=NN=C2C2CC2)=C1)C(=O)[O-]	REAL300013084178	0	47	0.0	-64.32	393.63	7.18	-57.14
CCCN1C=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013084422	0	48	0.0	-58.46	383.41	8.98	-49.48
CCCN1C=CC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C21	REAL300013084434	0	55	0.0	-58.36	424.80	10.76	-47.60
CCCN1C=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013084435	0	48	0.0	-58.46	383.41	8.98	-49.48
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1S(=O)(=O)NC1CC1	REAL300013084672	0	50	0.0	-70.78	410.03	4.17	-66.61
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1S(=O)(=O)NC1CC1	REAL300013084678	0	50	0.0	-70.78	410.03	4.17	-66.61
C[NH+](C)CC(NC(=O)NC1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300013084831	0	47	0.0	-71.57	400.83	3.36	-68.21
C[NH+](C)CC(NC(=O)NC1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300013084835	0	47	0.0	-71.57	400.83	3.36	-68.21
CC1=CC=NC(OC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2C)=C1	REAL300013085015	0	51	0.0	-68.42	413.67	7.04	-61.38
CC1=CC=NC(OC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2C)=C1	REAL300013085023	0	51	0.0	-68.42	413.67	7.04	-61.38
CC(C)CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013085276	0	51	0.0	-56.68	398.16	7.87	-48.81
CC(C)CCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013085288	0	58	0.0	-55.51	439.68	9.56	-45.95
CC(C)CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013085289	0	51	0.0	-56.68	398.16	7.87	-48.81
CCSCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013085592	0	45	0.0	-58.84	373.39	8.25	-50.59
CCSCC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013085603	0	52	0.0	-53.34	414.79	10.06	-43.28
CCSCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013085604	0	45	0.0	-58.84	373.39	8.25	-50.59
CC(C)SCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013085911	0	48	0.0	-59.41	392.19	8.85	-50.56
CC(C)SCC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013085923	0	55	0.0	-52.66	432.70	10.73	-41.93
CC(C)SCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013085924	0	48	0.0	-59.41	392.19	8.85	-50.56
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2CCOC2)C=C1)C(=O)[O-]	REAL300013086222	0	47	0.0	-60.19	371.70	5.17	-55.02
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OC2CCOC2)C=C1	REAL300013086234	0	54	0.0	-59.09	413.28	6.94	-52.15
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2CCOC2)C=C1)C(=O)[O-]	REAL300013086235	0	47	0.0	-60.19	371.70	5.17	-55.02
C[NH+](C)CC(NC(=O)NC1=CC=CC(CSC2CCCC2)=C1)C(=O)[O-]	REAL300013086525	0	52	0.0	-56.87	417.11	10.16	-46.71
C[NH+](C)CC(NC(=O)NC1=CC=CC(CSC2CCCC2)=C1)C(=O)[O-]	REAL300013086535	0	52	0.0	-56.87	417.11	10.16	-46.71
C[NH+](C)CC(NC(=O)NC1=CC=CC(CC(F)(F)F)=C1)C(=O)[O-]	REAL300013086799	0	41	0.0	-59.50	346.81	7.25	-52.25
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(CC(F)(F)F)=C1	REAL300013086811	0	48	0.0	-53.83	388.19	9.08	-44.75
C[NH+](C)CC(NC(=O)NC1=CC=CC(CC(F)(F)F)=C1)C(=O)[O-]	REAL300013086812	0	41	0.0	-59.50	346.81	7.25	-52.25
C[NH+](C)CC(NC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)C(=O)[O-]	REAL300013087105	0	39	0.0	-57.35	341.12	5.60	-51.75
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300013087117	0	46	0.0	-54.31	382.92	7.45	-46.86
C[NH+](C)CC(NC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)C(=O)[O-]	REAL300013087118	0	39	0.0	-57.35	341.12	5.60	-51.75
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC(C)C	REAL300013087406	0	48	0.0	-60.47	375.65	7.11	-53.36
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1OC(C)C	REAL300013087417	0	55	0.0	-54.96	417.02	8.98	-45.98
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC(C)C	REAL300013087418	0	48	0.0	-60.47	375.65	7.11	-53.36
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2CCCC2)C(F)=C1)C(=O)[O-]	REAL300013087711	0	49	0.0	-65.69	387.05	7.75	-57.94
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OC2CCCC2)C(F)=C1	REAL300013087721	0	56	0.0	-62.15	427.66	9.62	-52.53
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2CCCC2)C(F)=C1)C(=O)[O-]	REAL300013087722	0	49	0.0	-65.69	387.05	7.75	-57.94
C[NH+](C)CC(NC(=O)NC1=CC=CC(N2C=CN=N2)=C1)C(=O)[O-]	REAL300013088008	0	41	0.0	-76.35	338.23	5.39	-70.96
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(N2C=CN=N2)=C1	REAL300013088018	0	48	0.0	-65.58	379.62	7.21	-58.37
C[NH+](C)CC(NC(=O)NC1=CC=CC(N2C=CN=N2)=C1)C(=O)[O-]	REAL300013088019	0	41	0.0	-76.35	338.23	5.39	-70.96
CC1=COC(C2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)=N1	REAL300013088341	0	44	0.0	-66.48	363.91	4.56	-61.92
CC1=COC(C2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C2)=N1	REAL300013088353	0	51	0.0	-57.36	405.96	6.52	-50.84
CC1=COC(C2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)=N1	REAL300013088354	0	44	0.0	-66.48	363.91	4.56	-61.92
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCCF)=C1)C(=O)[O-]	REAL300013088645	0	42	0.0	-67.50	344.33	5.83	-61.67
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(OCCF)=C1	REAL300013088655	0	49	0.0	-63.48	385.57	7.71	-55.77
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCCF)=C1)C(=O)[O-]	REAL300013088656	0	42	0.0	-67.50	344.33	5.83	-61.67
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C1=NC=CO1	REAL300013088971	0	44	0.0	-66.04	360.35	4.35	-61.69
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1C1=NC=CO1	REAL300013088983	0	51	0.0	-59.31	399.10	7.30	-52.01
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C1=NC=CO1	REAL300013088984	0	44	0.0	-66.04	360.35	4.35	-61.69
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2CCC2)C(F)=C1)C(=O)[O-]	REAL300013089287	0	46	0.0	-57.44	369.13	7.08	-50.36
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OC2CCC2)C(F)=C1	REAL300013089299	0	53	0.0	-62.33	411.42	9.01	-53.32
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2CCC2)C(F)=C1)C(=O)[O-]	REAL300013089300	0	46	0.0	-57.44	369.13	7.08	-50.36
CC1=CC=NC(OC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)=N1	REAL300013089571	0	47	0.0	-62.55	388.51	4.57	-57.98
CC1=CC=NC(OC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2)=N1	REAL300013089581	0	54	0.0	-61.94	429.93	6.22	-55.72
CC1=CC=NC(OC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)=N1	REAL300013089582	0	47	0.0	-62.55	388.51	4.57	-57.98
CSC1=C(F)C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013089923	0	39	0.0	-59.36	342.01	6.62	-52.74
CSC1=C(F)C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300013089935	0	46	0.0	-55.33	383.55	8.62	-46.71
CSC1=C(F)C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013089936	0	39	0.0	-59.36	342.01	6.62	-52.74
C[NH+](C)CC(NC(=O)NC1=CC(F)=C(OC(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300013090215	0	48	0.0	-59.24	381.93	6.98	-52.26
CC(C)(C)OC1=C(F)C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300013090225	0	55	0.0	-56.91	423.33	8.79	-48.12
C[NH+](C)CC(NC(=O)NC1=CC(F)=C(OC(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300013090226	0	48	0.0	-59.24	381.93	6.98	-52.26
CCOCC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013090484	0	45	0.0	-57.40	363.31	6.15	-51.25
CCOCC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013090494	0	52	0.0	-56.50	404.42	8.00	-48.50
CCOCC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013090495	0	45	0.0	-57.40	363.31	6.15	-51.25
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(OC)=C1Br	REAL300013090715	0	43	0.0	-60.95	364.91	4.78	-56.17
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(OC)=C1Br	REAL300013090718	0	43	0.0	-60.95	364.91	4.78	-56.17
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=CC=CC(F)=C2)C(F)=C1)C(=O)[O-]	REAL300013090901	0	45	0.0	-66.78	377.74	9.19	-57.59
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=CC=CC(F)=C2)C(F)=C1)C(=O)[O-]	REAL300013090911	0	45	0.0	-66.78	377.74	9.19	-57.59
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1)C(=O)[O-]	REAL300013091109	0	48	0.0	-67.26	396.66	7.11	-60.15
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1)C(=O)[O-]	REAL300013091116	0	48	0.0	-67.26	396.66	7.11	-60.15
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=CC=C3OCCC3=C2)=C1)C(=O)[O-]	REAL300013091315	0	50	0.0	-59.92	396.25	8.77	-51.15
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=CC=C3OCCC3=C2)=C1)C(=O)[O-]	REAL300013091324	0	50	0.0	-59.92	396.25	8.77	-51.15
C[NH+](C)CC(NC(=O)NC1=CC=C2N=C(C3=CC=CC=N3)OC2=C1)C(=O)[O-]	REAL300013091575	0	46	0.0	-62.69	383.94	4.52	-58.17
C[NH+](C)CC(NC(=O)NC1=CC=C2N=C(C3=CC=CC=N3)OC2=C1)C(=O)[O-]	REAL300013091584	0	46	0.0	-62.69	383.94	4.52	-58.17
C[NH+](C)CC(NC(=O)NC1=CC=C2N=C(C3CC3)OC2=C1)C(=O)[O-]	REAL300013091821	0	44	0.0	-60.81	360.95	4.88	-55.93
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2N=C(C3CC3)OC2=C1	REAL300013091833	0	51	0.0	-55.29	402.80	6.78	-48.51
C[NH+](C)CC(NC(=O)NC1=CC=C2N=C(C3CC3)OC2=C1)C(=O)[O-]	REAL300013091834	0	44	0.0	-60.81	360.95	4.88	-55.93
C[NH+](C)CC(NC(=O)NC1=CC=C2NC(C(F)F)=NC2=C1)C(=O)[O-]	REAL300013092128	0	41	0.0	-59.56	347.34	5.10	-54.46
C[NH+](C)CC(NC(=O)NC1=CC=C2N=C(C(F)F)NC2=C1)C(=O)[O-]	REAL300013092128	1	41	0.0	-60.65	347.27	5.11	-55.54
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2NC(C(F)F)=NC2=C1	REAL300013092140	0	48	0.0	-59.37	388.97	6.97	-52.40
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2N=C(C(F)F)NC2=C1	REAL300013092140	1	48	0.0	-55.08	389.01	7.03	-48.05
C[NH+](C)CC(NC(=O)NC1=CC=C2NC(C(F)F)=NC2=C1)C(=O)[O-]	REAL300013092141	0	41	0.0	-59.56	347.34	5.10	-54.46
C[NH+](C)CC(NC(=O)NC1=CC=C2N=C(C(F)F)NC2=C1)C(=O)[O-]	REAL300013092141	1	41	0.0	-60.65	347.27	5.11	-55.54
CC1=COC(C2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2C)=N1	REAL300013092431	0	47	0.0	-71.69	379.51	5.19	-66.50
CC1=COC(C2=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=CC=C2C)=N1	REAL300013092443	0	54	0.0	-59.14	421.66	7.15	-51.99
CC1=COC(C2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2C)=N1	REAL300013092444	0	47	0.0	-71.69	379.51	5.19	-66.50
C[NH+](C)CC(NC(=O)NC1=CC=CC(CCC(F)(F)F)=C1)C(=O)[O-]	REAL300013092729	0	44	0.0	-59.75	368.33	8.08	-51.67
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(CCC(F)(F)F)=C1	REAL300013092741	0	51	0.0	-54.86	409.73	9.89	-44.97
C[NH+](C)CC(NC(=O)NC1=CC=CC(CCC(F)(F)F)=C1)C(=O)[O-]	REAL300013092742	0	44	0.0	-59.75	368.33	8.08	-51.67
CC(C)OC1=CC(Br)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013092953	0	45	0.0	-59.44	377.32	6.95	-52.49
CC(C)OC1=CC(Br)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013092957	0	45	0.0	-59.44	377.32	6.95	-52.49
CN1C=NC(C2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2)=N1	REAL300013093189	0	44	0.0	-70.68	364.03	7.58	-63.10
CN1C=NC(C2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C2)=N1	REAL300013093201	0	51	0.0	-63.85	405.37	9.41	-54.44
CN1C=NC(C2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2)=N1	REAL300013093202	0	44	0.0	-70.68	364.03	7.58	-63.10
C[NH+](C)CC(NC(=O)NC1=CC=C(SC2CCCC2)C=C1)C(=O)[O-]	REAL300013093496	0	49	0.0	-56.83	388.39	9.13	-47.70
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(SC2CCCC2)C=C1	REAL300013093508	0	56	0.0	-54.43	428.85	10.95	-43.48
C[NH+](C)CC(NC(=O)NC1=CC=C(SC2CCCC2)C=C1)C(=O)[O-]	REAL300013093509	0	49	0.0	-56.83	388.39	9.13	-47.70
C[NH+](C)CC(NC(=O)NC1=CC=C2C(=C1)C=NN2C(F)F)C(=O)[O-]	REAL300013093791	0	41	0.0	-60.10	345.58	5.56	-54.54
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2C(=C1)C=NN2C(F)F	REAL300013093803	0	48	0.0	-58.39	386.58	7.35	-51.04
C[NH+](C)CC(NC(=O)NC1=CC=C2C(=C1)C=NN2C(F)F)C(=O)[O-]	REAL300013093804	0	41	0.0	-60.10	345.58	5.56	-54.54
COCCN1C=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013094091	0	49	0.0	-59.42	395.59	7.27	-52.15
COCCN1C=CC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C21	REAL300013094103	0	56	0.0	-59.56	436.62	9.07	-50.49
COCCN1C=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013094104	0	49	0.0	-59.42	395.59	7.27	-52.15
C[NH+](C)CC(NC(=O)NC1=CC(Cl)=C(N)C(Cl)=C1)C(=O)[O-]	REAL300013094397	0	37	0.0	-56.55	329.99	4.49	-52.06
NC1=C(Cl)C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1Cl	REAL300013094409	0	44	0.0	-54.17	371.15	6.37	-47.80
C[NH+](C)CC(NC(=O)NC1=CC(Cl)=C(N)C(Cl)=C1)C(=O)[O-]	REAL300013094410	0	37	0.0	-56.55	329.99	4.49	-52.06
C[NH+](C)CC(NC(=O)NC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300013094719	0	39	0.0	-58.69	325.42	5.09	-53.60
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OC(F)F)C=C1	REAL300013094729	0	46	0.0	-59.84	366.78	6.86	-52.98
C[NH+](C)CC(NC(=O)NC1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300013094730	0	39	0.0	-58.69	325.42	5.09	-53.60
C[NH+](C)CC(NC(=O)NC1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300013095057	0	39	0.0	-59.50	340.82	5.63	-53.87
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OC(F)F)C(Cl)=C1	REAL300013095069	0	46	0.0	-57.02	382.93	7.45	-49.57
C[NH+](C)CC(NC(=O)NC1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300013095070	0	39	0.0	-59.50	340.82	5.63	-53.87
CC1=NC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2S1	REAL300013095358	0	40	0.0	-63.54	339.70	5.67	-57.87
CC1=NC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2S1	REAL300013095369	0	47	0.0	-57.79	380.79	7.50	-50.29
CC1=NC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2S1	REAL300013095370	0	40	0.0	-63.54	339.70	5.67	-57.87
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2CCCC2=C1	REAL300013095642	0	49	0.0	-55.55	372.82	9.27	-46.28
O=C([O-])C1(NC(=O)NC2=CC=C3CCCC3=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013095645	0	56	0.0	-54.51	415.68	11.70	-42.81
O=C([O-])C1(NC(=O)NC2=CC=C3CCCC3=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013095645	1	56	0.0	-61.35	421.32	12.20	-49.15
CCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OCCC	REAL300013095897	0	55	0.0	-60.74	431.78	8.08	-52.66
CCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OCCC	REAL300013095906	0	55	0.0	-60.74	431.78	8.08	-52.66
CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OCC	REAL300013096157	0	49	0.0	-60.69	388.25	6.52	-54.17
CCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1OCC	REAL300013096169	0	56	0.0	-57.35	430.09	8.37	-48.98
CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OCC	REAL300013096170	0	49	0.0	-60.69	388.25	6.52	-54.17
CC1=CC=CC(OC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)=C1	REAL300013096446	0	49	0.0	-59.31	397.00	8.99	-50.32
CC1=CC=CC(OC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2)=C1	REAL300013096456	0	56	0.0	-57.11	437.22	10.77	-46.34
CC1=CC=CC(OC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)=C1	REAL300013096457	0	49	0.0	-59.31	397.00	8.99	-50.32
CCOC1=CC=C(OC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)C=C1	REAL300013096655	0	53	0.0	-60.41	426.04	8.48	-51.93
CCOC1=CC=C(OC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)C=C1	REAL300013096659	0	53	0.0	-60.41	426.04	8.48	-51.93
C[NH+](C)CC(NC(=O)NC1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300013096880	0	46	0.0	-59.20	370.11	9.68	-49.52
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300013096892	0	53	0.0	-57.55	411.51	11.48	-46.07
C[NH+](C)CC(NC(=O)NC1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300013096893	0	46	0.0	-59.20	370.11	9.68	-49.52
C[NH+](C)CC(NC(=O)NC1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300013097192	0	44	0.0	-65.49	349.20	5.36	-60.13
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2OCCCOC2=C1	REAL300013097203	0	51	0.0	-59.13	389.71	7.26	-51.87
C[NH+](C)CC(NC(=O)NC1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300013097204	0	44	0.0	-65.49	349.20	5.36	-60.13
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=NC=CS2)C=C1)C(=O)[O-]	REAL300013097521	0	41	0.0	-62.58	350.30	6.36	-56.22
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C2=NC=CS2)C=C1	REAL300013097533	0	48	0.0	-59.05	391.96	8.19	-50.86
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=NC=CS2)C=C1)C(=O)[O-]	REAL300013097534	0	41	0.0	-62.58	350.30	6.36	-56.22
CC(C)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013097799	0	51	0.0	-51.68	388.10	9.34	-42.34
CC(C)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013097802	0	58	0.0	-51.97	430.35	11.68	-40.29
CC(C)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013097802	1	58	0.0	-60.67	436.25	12.18	-48.49
CCCCCC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013098100	0	50	0.0	-57.37	393.41	9.37	-48.00
CCCCCC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013098111	0	57	0.0	-55.20	434.89	11.08	-44.12
CCCCCC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013098112	0	50	0.0	-57.37	393.41	9.37	-48.00
CCCC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013098385	0	51	0.0	-55.15	391.89	9.52	-45.63
CCCC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013098388	0	58	0.0	-51.92	434.51	12.00	-39.92
CCCC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013098388	1	58	0.0	-60.59	440.18	12.52	-48.07
C[NH+](C)CC(NC(=O)NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1)C(=O)[O-]	REAL300013098610	0	52	0.0	-61.50	409.04	3.44	-58.06
C[NH+](C)CC(NC(=O)NC1=CC=CC(S(=O)(=O)NC(C)(C)C)=C1)C(=O)[O-]	REAL300013098616	0	52	0.0	-61.50	409.04	3.44	-58.06
CC1=NC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2O1	REAL300013098816	0	40	0.0	-67.34	329.78	3.23	-64.11
CC1=NC2=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=CC=C2O1	REAL300013098826	0	47	0.0	-61.58	370.96	4.94	-56.64
CC1=NC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2O1	REAL300013098827	0	40	0.0	-67.34	329.78	3.23	-64.11
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2SCCS2)=C1)C(=O)[O-]	REAL300013099106	0	44	0.0	-61.49	372.71	8.59	-52.90
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C2SCCS2)=C1	REAL300013099116	0	51	0.0	-56.53	413.71	10.32	-46.21
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2SCCS2)=C1)C(=O)[O-]	REAL300013099117	0	44	0.0	-61.49	372.71	8.59	-52.90
CC1=NC(C2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)=CS1	REAL300013099391	0	44	0.0	-65.70	370.77	6.87	-58.83
CC1=NC(C2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2)=CS1	REAL300013099403	0	51	0.0	-56.07	411.95	8.72	-47.35
CC1=NC(C2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)=CS1	REAL300013099404	0	44	0.0	-65.70	370.77	6.87	-58.83
CSC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013099655	0	46	0.0	-54.79	367.72	8.32	-46.47
CSC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013099658	0	53	0.0	-61.53	416.32	11.30	-50.23
CSC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013099658	1	53	0.0	-62.13	416.00	11.31	-50.82
C[NH+](C)CC(NC(=O)NC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013099960	0	41	0.0	-64.78	346.50	3.00	-61.78
CS(=O)(=O)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013099972	0	48	0.0	-63.02	387.89	4.82	-58.20
C[NH+](C)CC(NC(=O)NC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300013099973	0	41	0.0	-64.78	346.50	3.00	-61.78
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1CC1=CC=CC=C1	REAL300013100238	0	52	0.0	-61.59	415.23	9.27	-52.32
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1CC1=CC=CC=C1	REAL300013100246	0	52	0.0	-61.59	415.23	9.27	-52.32
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC(F)=CC(F)=C1	REAL300013100446	0	42	0.0	-54.92	340.12	7.51	-47.41
O=C([O-])C1(NC(=O)NC2=CC(F)=CC(F)=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013100449	0	49	0.0	-53.14	382.98	9.92	-43.22
O=C([O-])C1(NC(=O)NC2=CC(F)=CC(F)=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013100449	1	49	0.0	-60.10	388.62	10.43	-49.67
COC1=CC=CC=C1OC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013100680	0	50	0.0	-61.56	405.05	8.32	-53.24
COC1=CC=CC=C1OC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013100688	0	50	0.0	-61.56	405.05	8.32	-53.24
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C(F)(F)F	REAL300013100938	0	41	0.0	-56.27	340.51	7.01	-49.26
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1C(F)(F)F	REAL300013100950	0	48	0.0	-52.47	381.59	8.82	-43.65
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C(F)(F)F	REAL300013100951	0	41	0.0	-56.27	340.51	7.01	-49.26
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=NC3=CC=CC=C3O2)C=C1)C(=O)[O-]	REAL300013101197	0	47	0.0	-63.43	388.26	6.27	-57.16
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=NC3=CC=CC=C3O2)C=C1)C(=O)[O-]	REAL300013101206	0	47	0.0	-63.43	388.26	6.27	-57.16
C#CC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013101386	0	44	0.0	-60.20	354.92	8.54	-51.66
C#CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013101388	0	51	0.0	-63.95	403.42	11.46	-52.49
C#CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013101388	1	51	0.0	-64.47	403.04	11.48	-52.99
C[NH+](C)CC(NC(=O)NC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300013101665	0	42	0.0	-60.14	344.16	6.67	-53.47
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(N2C=CC=N2)C=C1	REAL300013101675	0	49	0.0	-56.62	386.10	8.43	-48.19
C[NH+](C)CC(NC(=O)NC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300013101676	0	42	0.0	-60.14	344.16	6.67	-53.47
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2NC=CC2=C1	REAL300013101946	0	46	0.0	-55.96	358.69	7.33	-48.63
O=C([O-])C1(NC(=O)NC2=CC=C3NC=CC3=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013101949	0	53	0.0	-60.49	401.67	9.82	-50.67
O=C([O-])C1(NC(=O)NC2=CC=C3NC=CC3=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013101949	1	53	0.0	-64.15	407.57	10.30	-53.85
C[NH+](C)CC(NC(=O)NC1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300013102243	0	39	0.0	-62.62	332.39	5.26	-57.36
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(OC(F)(F)F)=C1	REAL300013102255	0	46	0.0	-58.68	373.63	7.14	-51.54
C[NH+](C)CC(NC(=O)NC1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300013102256	0	39	0.0	-62.62	332.39	5.26	-57.36
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Br	REAL300013102562	0	38	0.0	-58.57	324.60	6.60	-51.97
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1Br	REAL300013102574	0	45	0.0	-57.58	366.76	8.57	-49.01
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Br	REAL300013102575	0	38	0.0	-58.57	324.60	6.60	-51.97
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1NS(C)(=O)=O	REAL300013102811	0	47	0.0	-64.82	387.20	1.46	-63.36
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1NS(C)(=O)=O	REAL300013102819	0	47	0.0	-64.82	387.20	1.46	-63.36
CC1=NC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2O1	REAL300013103032	0	40	0.0	-60.36	329.80	3.19	-57.17
CC1=NC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2O1	REAL300013103042	0	47	0.0	-59.34	370.48	4.98	-54.36
CC1=NC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2O1	REAL300013103043	0	40	0.0	-60.36	329.80	3.19	-57.17
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013103322	0	47	0.0	-65.87	382.84	8.70	-57.17
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300013103332	0	54	0.0	-60.62	424.13	10.55	-50.07
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013103333	0	47	0.0	-65.87	382.84	8.70	-57.17
COC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300013103573	0	46	0.0	-53.95	363.03	6.73	-47.22
CC1=CC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2N1	REAL300013103852	0	42	0.0	-60.07	339.89	6.08	-53.99
CC1=CC2=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=CC=C2N1	REAL300013103862	0	49	0.0	-57.69	380.24	7.93	-49.76
CC1=CC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2N1	REAL300013103863	0	42	0.0	-60.07	339.89	6.08	-53.99
C[NH+](C)CC(NC(=O)NC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300013104165	0	35	0.0	-63.03	313.34	6.09	-56.94
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(Br)C(F)=C1	REAL300013104177	0	42	0.0	-52.84	354.64	8.00	-44.84
C[NH+](C)CC(NC(=O)NC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300013104178	0	35	0.0	-63.03	313.34	6.09	-56.94
CC(C)OC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013104451	0	45	0.0	-57.85	355.30	6.40	-51.45
CC(C)OC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013104461	0	52	0.0	-57.23	397.01	8.08	-49.15
CC(C)OC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013104462	0	45	0.0	-57.85	355.30	6.40	-51.45
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1F	REAL300013104706	0	45	0.0	-53.98	353.93	8.01	-45.97
CC1=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=CC=C1F	REAL300013104709	0	52	0.0	-52.01	396.86	10.49	-41.52
CC1=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1F	REAL300013104709	1	52	0.0	-51.98	396.82	10.49	-41.49
CC1=CC(F)=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013104924	0	45	0.0	-58.76	355.11	8.12	-50.64
CC1=CC(F)=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013104927	0	52	0.0	-50.92	397.69	10.55	-40.37
CC1=CC(F)=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013104927	1	52	0.0	-62.44	403.88	11.01	-51.43
C[NH+](C)CC(NC(=O)NC1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300013105174	0	35	0.0	-61.61	322.45	6.50	-55.11
C[NH+](C)CC(NC(=O)NC1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300013105184	0	35	0.0	-61.61	322.45	6.50	-55.11
C[NH+](C)CC(NC(=O)NC1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300013105449	0	39	0.0	-63.88	325.64	5.03	-58.85
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(OC(F)F)=C1	REAL300013105459	0	46	0.0	-59.91	366.89	6.92	-52.99
C[NH+](C)CC(NC(=O)NC1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300013105460	0	39	0.0	-63.88	325.64	5.03	-58.85
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=NNC=C2)C=C1)C(=O)[O-]	REAL300013105779	0	42	0.0	-62.15	345.24	5.49	-56.66
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C2=NNC=C2)C=C1	REAL300013105789	0	49	0.0	-57.73	386.34	7.35	-50.38
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=NNC=C2)C=C1)C(=O)[O-]	REAL300013105790	0	42	0.0	-62.15	345.24	5.49	-56.66
C[NH+](C)CC(NC(=O)NC1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300013106086	0	35	0.0	-58.66	309.27	6.09	-52.57
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC(F)=CC(Cl)=C1	REAL300013106096	0	42	0.0	-54.18	350.79	7.94	-46.24
C[NH+](C)CC(NC(=O)NC1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300013106097	0	35	0.0	-58.66	309.27	6.09	-52.57
C[NH+](C)CC(NC(=O)NC1=CC(Br)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300013106309	0	38	0.0	-55.21	346.47	7.10	-48.11
C[NH+](C)CC(NC(=O)NC1=CC(Br)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300013106312	0	38	0.0	-55.21	346.47	7.10	-48.11
C[NH+](C)CC(NC(=O)NC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013106505	0	35	0.0	-63.33	308.93	5.98	-57.35
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(Cl)C(F)=C1	REAL300013106515	0	42	0.0	-52.84	350.24	7.89	-44.95
C[NH+](C)CC(NC(=O)NC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013106516	0	35	0.0	-63.33	308.93	5.98	-57.35
C[NH+](C)CC(NC(=O)NC1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300013106817	0	35	0.0	-62.64	313.35	6.10	-56.54
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(F)C(Br)=C1	REAL300013106829	0	42	0.0	-52.44	354.30	8.03	-44.41
C[NH+](C)CC(NC(=O)NC1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300013106830	0	35	0.0	-62.64	313.35	6.10	-56.54
CCOC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013107080	0	49	0.0	-60.31	378.63	7.60	-52.71
CCOC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013107083	0	56	0.0	-64.08	427.48	10.49	-53.59
CCOC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013107083	1	56	0.0	-64.67	427.12	10.51	-54.16
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=CC=CS2)=C1)C(=O)[O-]	REAL300013107383	0	42	0.0	-63.64	353.16	8.10	-55.54
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C2=CC=CS2)=C1	REAL300013107395	0	49	0.0	-59.85	394.65	9.99	-49.86
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=CC=CS2)=C1)C(=O)[O-]	REAL300013107396	0	42	0.0	-63.64	353.16	8.10	-55.54
COC1=CC=CC=C1C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013107680	0	49	0.0	-59.96	394.08	8.48	-51.48
COC1=CC=CC=C1C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013107690	0	56	0.0	-54.85	436.13	10.47	-44.38
COC1=CC=CC=C1C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013107691	0	49	0.0	-59.96	394.08	8.48	-51.48
C[NH+](C)CC(NC(=O)NC1=CC=CC(N2C=CC=N2)=C1)C(=O)[O-]	REAL300013107973	0	42	0.0	-71.57	344.14	6.68	-64.89
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(N2C=CC=N2)=C1	REAL300013107983	0	49	0.0	-67.67	385.64	8.57	-59.10
C[NH+](C)CC(NC(=O)NC1=CC=CC(N2C=CC=N2)=C1)C(=O)[O-]	REAL300013107984	0	42	0.0	-71.57	344.14	6.68	-64.89
C[NH+](C)CC(NC(=O)NC1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300013108299	0	38	0.0	-57.67	330.21	6.47	-51.20
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(F)C(C(F)(F)F)=C1	REAL300013108311	0	45	0.0	-56.27	371.13	8.40	-47.87
C[NH+](C)CC(NC(=O)NC1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300013108312	0	38	0.0	-57.67	330.21	6.47	-51.20
CCS(=O)(=O)NC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013108591	0	46	0.0	-61.86	381.27	3.16	-58.70
CCS(=O)(=O)NC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013108601	0	53	0.0	-65.20	422.46	4.91	-60.29
CCS(=O)(=O)NC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013108602	0	46	0.0	-61.86	381.27	3.16	-58.70
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCC2CCCO2)=C1)C(=O)[O-]	REAL300013108928	0	50	0.0	-59.11	394.28	6.16	-52.95
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(OCC2CCCO2)=C1	REAL300013108940	0	57	0.0	-60.46	435.26	8.01	-52.45
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCC2CCCO2)=C1)C(=O)[O-]	REAL300013108941	0	50	0.0	-59.11	394.28	6.16	-52.95
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300013109165	0	49	0.0	-65.17	403.48	8.83	-56.34
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300013109172	0	49	0.0	-65.17	403.48	8.83	-56.34
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCC2=CC=CN=C2)=C1)C(=O)[O-]	REAL300013109392	0	48	0.0	-67.04	391.90	6.97	-60.07
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(OCC2=CC=CN=C2)=C1	REAL300013109402	0	55	0.0	-56.71	434.24	8.85	-47.86
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCC2=CC=CN=C2)=C1)C(=O)[O-]	REAL300013109403	0	48	0.0	-67.04	391.90	6.97	-60.07
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300013109683	0	49	0.0	-57.11	381.69	7.77	-49.34
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OC2CCCC2)C=C1	REAL300013109695	0	56	0.0	-55.43	421.85	9.43	-46.00
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300013109696	0	49	0.0	-57.11	381.69	7.77	-49.34
CC(C)COC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013110002	0	48	0.0	-64.30	379.35	7.18	-57.12
CC(C)COC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013110013	0	55	0.0	-60.33	420.59	9.05	-51.28
CC(C)COC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013110014	0	48	0.0	-64.30	379.35	7.18	-57.12
CCCOC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013110309	0	45	0.0	-64.55	359.18	6.45	-58.10
CCCOC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013110319	0	52	0.0	-60.05	400.13	8.40	-51.65
CCCOC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013110320	0	45	0.0	-64.55	359.18	6.45	-58.10
C[NH+](C)CC(NC(=O)NC1=CC=C(CN2C=CC=N2)C=C1)C(=O)[O-]	REAL300013110636	0	45	0.0	-60.73	370.17	7.11	-53.62
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(CN2C=CC=N2)C=C1	REAL300013110648	0	52	0.0	-58.23	411.52	8.89	-49.34
C[NH+](C)CC(NC(=O)NC1=CC=C(CN2C=CC=N2)C=C1)C(=O)[O-]	REAL300013110649	0	45	0.0	-60.73	370.17	7.11	-53.62
CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013110965	0	42	0.0	-56.94	353.19	6.24	-50.70
CCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1Cl	REAL300013110977	0	49	0.0	-53.32	394.68	8.13	-45.19
CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013110978	0	42	0.0	-56.94	353.19	6.24	-50.70
CCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013111289	0	45	0.0	-63.35	374.68	7.05	-56.30
CCCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1Cl	REAL300013111301	0	52	0.0	-53.08	416.18	8.93	-44.15
CCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013111302	0	45	0.0	-63.35	374.68	7.05	-56.30
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OCC(F)(F)F	REAL300013111529	0	46	0.0	-62.36	386.01	6.05	-56.31
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OCC(F)(F)F	REAL300013111536	0	46	0.0	-62.36	386.01	6.05	-56.31
CCOC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC	REAL300013111775	0	46	0.0	-60.77	366.40	5.59	-55.18
CCOC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1OC	REAL300013111786	0	53	0.0	-57.40	408.24	7.45	-49.95
CCOC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC	REAL300013111787	0	46	0.0	-60.77	366.40	5.59	-55.18
C[NH+](C)CC(NC(=O)NC1=CC=CC(CN2C=CC=N2)=C1)C(=O)[O-]	REAL300013112085	0	45	0.0	-64.62	369.58	7.14	-57.48
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(CN2C=CC=N2)=C1	REAL300013112097	0	52	0.0	-56.57	411.74	9.05	-47.52
C[NH+](C)CC(NC(=O)NC1=CC=CC(CN2C=CC=N2)=C1)C(=O)[O-]	REAL300013112098	0	45	0.0	-64.62	369.58	7.14	-57.48
C[NH+](C)CC(NC(=O)NC1=CC=CC(COCC2=CC=CO2)=C1)C(=O)[O-]	REAL300013112366	0	49	0.0	-60.48	402.70	7.25	-53.23
C[NH+](C)CC(NC(=O)NC1=CC=CC(COCC2=CC=CO2)=C1)C(=O)[O-]	REAL300013112376	0	49	0.0	-60.48	402.70	7.25	-53.23
COCC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013112604	0	49	0.0	-53.87	382.27	7.02	-46.85
COCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013112607	0	56	0.0	-52.50	424.92	9.55	-42.95
COCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013112607	1	56	0.0	-62.74	431.13	10.00	-52.74
CCOCCOCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013112883	0	52	0.0	-61.40	418.24	6.40	-55.00
CCOCCOCC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013112893	0	59	0.0	-55.41	459.23	8.24	-47.17
CCOCCOCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013112894	0	52	0.0	-61.40	418.24	6.40	-55.00
COCCOCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013113172	0	49	0.0	-61.71	396.35	5.44	-56.27
COCCOCC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013113184	0	56	0.0	-55.88	437.75	7.25	-48.63
COCCOCC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013113185	0	49	0.0	-61.71	396.35	5.44	-56.27
COCCOC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC	REAL300013113546	0	50	0.0	-63.81	400.61	4.88	-58.93
COCCOC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1OC	REAL300013113556	0	57	0.0	-59.54	441.51	6.78	-52.76
COCCOC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC	REAL300013113557	0	50	0.0	-63.81	400.61	4.88	-58.93
COCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013113839	0	46	0.0	-63.31	371.11	4.97	-58.34
COCCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013113850	0	53	0.0	-57.04	412.50	6.79	-50.25
COCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013113851	0	46	0.0	-63.31	371.11	4.97	-58.34
COCCOC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013114164	0	46	0.0	-66.96	370.78	4.97	-61.99
COCCOC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013114175	0	53	0.0	-63.04	412.26	6.87	-56.17
COCCOC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013114176	0	46	0.0	-66.96	370.78	4.97	-61.99
C[NH+](C)CC(NC(=O)NC1=CC=CC(N2CCCS2(=O)=O)=C1)C(=O)[O-]	REAL300013114444	0	47	0.0	-70.20	383.61	4.09	-66.11
C[NH+](C)CC(NC(=O)NC1=CC=CC(N2CCCS2(=O)=O)=C1)C(=O)[O-]	REAL300013114453	0	47	0.0	-70.20	383.61	4.09	-66.11
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1Br	REAL300013114680	0	39	0.0	-58.59	335.02	5.37	-53.22
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1Br	REAL300013114690	0	39	0.0	-58.59	335.02	5.37	-53.22
CCC(=O)C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013114947	0	43	0.0	-72.16	348.96	6.75	-65.41
CCC(=O)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013114957	0	50	0.0	-58.90	391.01	8.70	-50.20
CCC(=O)C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013114958	0	43	0.0	-72.16	348.96	6.75	-65.41
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300013115269	0	41	0.0	-58.63	341.91	6.19	-52.44
COC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300013115280	0	48	0.0	-54.43	382.80	8.11	-46.32
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300013115281	0	41	0.0	-58.63	341.91	6.19	-52.44
COC1=C(F)C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013115596	0	39	0.0	-59.48	332.04	5.01	-54.47
COC1=C(F)C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300013115606	0	46	0.0	-56.26	373.65	6.91	-49.35
COC1=C(F)C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013115607	0	39	0.0	-59.48	332.04	5.01	-54.47
CCC1=NC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2O1	REAL300013115906	0	43	0.0	-67.01	351.26	4.00	-63.01
CCC1=NC2=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=CC=C2O1	REAL300013115917	0	50	0.0	-61.28	392.44	5.70	-55.58
CCC1=NC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2O1	REAL300013115918	0	43	0.0	-67.01	351.26	4.00	-63.01
C[NH+](C)CC(NC(=O)NC1=CC=C2OC(C3CC3)=NC2=C1)C(=O)[O-]	REAL300013116212	0	44	0.0	-59.53	361.60	4.72	-54.81
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2OC(C3CC3)=NC2=C1	REAL300013116224	0	51	0.0	-61.15	401.98	6.55	-54.60
C[NH+](C)CC(NC(=O)NC1=CC=C2OC(C3CC3)=NC2=C1)C(=O)[O-]	REAL300013116225	0	44	0.0	-59.53	361.60	4.72	-54.81
C[NH+](C)CC(NC(=O)NC1=CC=C2OC(C(C)(C)C)=NC2=C1)C(=O)[O-]	REAL300013116500	0	49	0.0	-62.79	391.62	5.10	-57.69
CC(C)(C)C1=NC2=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=CC=C2O1	REAL300013116512	0	56	0.0	-58.21	433.60	6.93	-51.28
C[NH+](C)CC(NC(=O)NC1=CC=C2OC(C(C)(C)C)=NC2=C1)C(=O)[O-]	REAL300013116513	0	49	0.0	-62.79	391.62	5.10	-57.69
CC(C)C1=NC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2O1	REAL300013116781	0	46	0.0	-68.40	371.93	4.56	-63.84
CC(C)C1=NC2=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=CC=C2O1	REAL300013116793	0	53	0.0	-61.09	413.26	6.30	-54.79
CC(C)C1=NC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2O1	REAL300013116794	0	46	0.0	-68.40	371.93	4.56	-63.84
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300013117082	0	42	0.0	-58.56	357.16	6.23	-52.33
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OCC(F)(F)F)C=C1	REAL300013117094	0	49	0.0	-55.29	398.45	7.98	-47.31
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300013117095	0	42	0.0	-58.56	357.16	6.23	-52.33
C[NH+](C)CC(NC(=O)NC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300013117369	0	39	0.0	-56.66	342.86	6.94	-49.72
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(SC(F)(F)F)C=C1	REAL300013117381	0	46	0.0	-56.88	383.90	8.76	-48.12
C[NH+](C)CC(NC(=O)NC1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300013117382	0	39	0.0	-56.66	342.86	6.94	-49.72
CC1=CC=C(OC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)C=C1	REAL300013117647	0	49	0.0	-57.88	396.52	9.03	-48.85
CC1=CC=C(OC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2)C=C1	REAL300013117657	0	56	0.0	-56.60	436.95	10.83	-45.77
CC1=CC=C(OC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)C=C1	REAL300013117658	0	49	0.0	-57.88	396.52	9.03	-48.85
CC1CN(C2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2F)CC(C)O1	REAL300013117867	0	54	0.0	-62.87	417.75	6.30	-56.57
CC1CN(C2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2F)CC(C)O1	REAL300013117873	0	54	0.0	-62.87	417.75	6.30	-56.57
CN(C1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F)C1CCCCC1	REAL300013118042	0	56	0.0	-64.12	424.70	8.03	-56.09
CN(C1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F)C1CCCCC1	REAL300013118048	0	56	0.0	-64.12	424.70	8.03	-56.09
CC1=NN(C2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2F)C(C)=C1	REAL300013118251	0	48	0.0	-64.21	393.01	7.85	-56.36
CC1=NN(C2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2F)C(C)=C1	REAL300013118261	0	48	0.0	-64.21	393.01	7.85	-56.36
C[NH+](C)CC(NC(=O)NC1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300013118429	0	48	0.0	-62.28	408.63	7.47	-54.81
C[NH+](C)CC(NC(=O)NC1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300013118432	0	48	0.0	-62.28	408.63	7.47	-54.81
C[NH+](C)CC(NC(=O)NC1=CC=CC(COC2=CC=CC(F)=C2)=C1)C(=O)[O-]	REAL300013118581	0	49	0.0	-60.80	403.53	8.82	-51.98
C[NH+](C)CC(NC(=O)NC1=CC=CC(COC2=CC=CC(F)=C2)=C1)C(=O)[O-]	REAL300013118588	0	49	0.0	-60.80	403.53	8.82	-51.98
CC1=NN=NN1C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013118834	0	43	0.0	-77.18	353.71	5.46	-71.72
CC1=NN=NN1C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013118846	0	50	0.0	-63.88	394.20	7.35	-56.53
CC1=NN=NN1C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013118847	0	43	0.0	-77.18	353.71	5.46	-71.72
CC1=CC(C)=NN1C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013119150	0	48	0.0	-72.36	386.71	7.71	-64.65
CC1=CC(C)=NN1C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013119162	0	55	0.0	-59.56	428.43	9.62	-49.94
CC1=CC(C)=NN1C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013119163	0	48	0.0	-72.36	386.71	7.71	-64.65
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C(=O)[O-]	REAL300013119449	0	44	0.0	-62.62	360.35	8.23	-54.39
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL300013119461	0	51	0.0	-56.05	401.94	10.08	-45.97
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2)C(=O)[O-]	REAL300013119462	0	44	0.0	-62.62	360.35	8.23	-54.39
C[NH+](C)CC(NC(=O)NC1=CC=C(SC(F)F)C=C1)C(=O)[O-]	REAL300013119759	0	39	0.0	-58.77	335.97	6.78	-51.99
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(SC(F)F)C=C1	REAL300013119771	0	46	0.0	-58.57	377.32	8.56	-50.01
C[NH+](C)CC(NC(=O)NC1=CC=C(SC(F)F)C=C1)C(=O)[O-]	REAL300013119772	0	39	0.0	-58.77	335.97	6.78	-51.99
C[NH+](C)CC(NC(=O)NC1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300013120060	0	41	0.0	-59.39	330.65	4.63	-54.76
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2OCCOC2=C1	REAL300013120070	0	48	0.0	-60.88	371.82	6.50	-54.38
C[NH+](C)CC(NC(=O)NC1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300013120071	0	41	0.0	-59.39	330.65	4.63	-54.76
O=C([O-])C1(NC(=O)NC2=CC=CC=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013120260	0	49	0.0	-52.66	369.85	9.81	-42.85
O=C([O-])C1(NC(=O)NC2=CC=CC=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013120260	1	49	0.0	-62.96	376.08	10.26	-52.70
C[NH+](C)CC(NC(=O)NC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300013120500	0	35	0.0	-56.33	307.71	6.08	-50.25
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(Br)C=C1	REAL300013120512	0	42	0.0	-54.85	349.05	7.86	-46.99
C[NH+](C)CC(NC(=O)NC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300013120513	0	35	0.0	-56.33	307.71	6.08	-50.25
C[NH+](C)CC(NC(=O)NC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300013120831	0	35	0.0	-60.86	307.14	6.09	-54.77
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(Br)=C1	REAL300013120843	0	42	0.0	-57.89	348.94	7.97	-49.92
C[NH+](C)CC(NC(=O)NC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300013120844	0	35	0.0	-60.86	307.14	6.09	-54.77
CC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013121058	0	45	0.0	-53.70	348.61	7.96	-45.74
CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013121059	0	52	0.0	-60.46	397.52	10.94	-49.52
CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013121059	1	52	0.0	-62.76	397.47	10.94	-51.82
COC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013121253	0	46	0.0	-60.55	357.13	6.63	-53.92
COC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013121256	0	53	0.0	-55.89	399.64	9.08	-46.81
COC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013121256	1	53	0.0	-64.55	405.27	9.59	-54.96
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1C	REAL300013121467	0	48	0.0	-54.00	365.60	8.50	-45.50
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=C1C	REAL300013121469	0	55	0.0	-52.83	408.51	10.99	-41.84
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1C	REAL300013121469	1	55	0.0	-60.78	414.43	11.48	-49.30
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(F)C=C1	REAL300013121656	0	42	0.0	-55.17	333.93	7.37	-47.80
O=C([O-])C1(NC(=O)NC2=CC=C(F)C=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013121658	0	49	0.0	-60.08	382.55	10.34	-49.74
O=C([O-])C1(NC(=O)NC2=CC=C(F)C=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013121658	1	49	0.0	-60.49	382.21	10.36	-50.13
CCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013121878	0	49	0.0	-55.74	379.11	7.46	-48.28
CCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013121881	0	56	0.0	-53.34	421.49	10.00	-43.34
CCOC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013121881	1	56	0.0	-61.85	427.44	10.48	-51.37
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC([N+](=O)[O-])=C1	REAL300013122136	0	44	0.0	-67.56	355.49	8.03	-59.53
O=C([O-])C1(NC(=O)NC2=CC=CC([N+](=O)[O-])=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013122139	0	51	0.0	-59.39	398.33	10.46	-48.93
O=C([O-])C1(NC(=O)NC2=CC=CC([N+](=O)[O-])=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013122139	1	51	0.0	-68.07	404.26	10.94	-57.13
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300013122416	0	40	0.0	-72.70	329.87	6.64	-66.06
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300013122426	0	47	0.0	-61.18	371.03	8.50	-52.68
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300013122427	0	40	0.0	-72.70	329.87	6.64	-66.06
C[NH+](C)CC(NC(=O)NC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300013122737	0	35	0.0	-61.80	318.23	6.40	-55.40
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(Cl)C(Cl)=C1	REAL300013122748	0	42	0.0	-52.64	359.55	8.32	-44.32
C[NH+](C)CC(NC(=O)NC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300013122749	0	35	0.0	-61.80	318.23	6.40	-55.40
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013122967	0	45	0.0	-55.40	348.91	7.97	-47.43
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013122968	0	52	0.0	-60.56	397.53	10.95	-49.61
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013122968	1	52	0.0	-60.89	397.20	10.97	-49.92
COC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013123162	0	46	0.0	-55.97	357.26	6.53	-49.44
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013123165	0	53	0.0	-61.16	405.64	9.56	-51.60
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013123165	1	53	0.0	-62.41	405.31	9.58	-52.83
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(Cl)=C1	REAL300013123384	0	42	0.0	-58.05	344.38	7.86	-50.19
O=C([O-])C1(NC(=O)NC2=CC=CC(Cl)=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013123387	0	49	0.0	-61.42	392.87	10.78	-50.64
O=C([O-])C1(NC(=O)NC2=CC=CC(Cl)=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013123387	1	49	0.0	-61.94	392.50	10.82	-51.12
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(F)=C1	REAL300013123578	0	42	0.0	-59.37	333.71	7.44	-51.93
O=C([O-])C1(NC(=O)NC2=CC=CC(F)=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013123580	0	49	0.0	-62.82	382.55	10.33	-52.49
O=C([O-])C1(NC(=O)NC2=CC=CC(F)=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013123580	1	49	0.0	-63.47	382.18	10.37	-53.10
CSC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013123801	0	46	0.0	-59.92	367.49	8.39	-51.53
CSC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013123804	0	53	0.0	-55.28	410.35	10.80	-44.48
CSC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013123804	1	53	0.0	-64.00	415.98	11.31	-52.69
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1Cl	REAL300013124058	0	45	0.0	-57.76	362.73	8.48	-49.28
C[NH+](C)CC(NC(=O)NC1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300013124344	0	40	0.0	-62.39	340.03	0.43	-61.96
NS(=O)(=O)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013124356	0	47	0.0	-60.77	381.43	2.25	-58.52
C[NH+](C)CC(NC(=O)NC1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300013124357	0	40	0.0	-62.39	340.03	0.43	-61.96
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(Cl)C=C1	REAL300013124598	0	42	0.0	-54.90	344.48	7.75	-47.15
O=C([O-])C1(NC(=O)NC2=CC=C(Cl)C=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013124601	0	49	0.0	-59.55	392.86	10.79	-48.76
O=C([O-])C1(NC(=O)NC2=CC=C(Cl)C=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013124601	1	49	0.0	-59.95	392.53	10.81	-49.14
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300013124884	0	38	0.0	-56.26	325.13	6.45	-49.81
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C(F)(F)F)=C1	REAL300013124895	0	45	0.0	-52.10	365.56	8.32	-43.78
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300013124896	0	38	0.0	-56.26	325.13	6.45	-49.81
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(OC)=C1OC	REAL300013125205	0	47	0.0	-62.49	378.33	4.59	-57.90
COC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC(OC)=C1OC	REAL300013125217	0	54	0.0	-57.41	419.94	6.47	-50.94
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(OC)=C1OC	REAL300013125218	0	47	0.0	-62.49	378.33	4.59	-57.90
C[NH+](C)CC(NC(=O)NC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300013125493	0	47	0.0	-55.62	362.40	7.87	-47.75
CC(C)(C)C1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013125503	0	54	0.0	-55.50	403.90	9.55	-45.95
C[NH+](C)CC(NC(=O)NC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300013125504	0	47	0.0	-55.62	362.40	7.87	-47.75
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300013125814	0	46	0.0	-59.27	375.03	8.23	-51.04
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1	REAL300013125826	0	53	0.0	-56.90	415.79	10.09	-46.81
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300013125827	0	46	0.0	-59.27	375.03	8.23	-51.04
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300013126231	0	45	0.0	-58.27	360.56	8.88	-49.39
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1	REAL300013126242	0	52	0.0	-57.23	401.91	10.66	-46.57
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300013126243	0	45	0.0	-58.27	360.56	8.88	-49.39
C[NH+](C)CC(NC(=O)NC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300013126555	0	35	0.0	-56.28	319.74	6.55	-49.73
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC(Cl)=CC(Cl)=C1	REAL300013126566	0	42	0.0	-53.70	360.75	8.40	-45.30
C[NH+](C)CC(NC(=O)NC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300013126567	0	35	0.0	-56.28	319.74	6.55	-49.73
C[NH+](C)CC(NC(=O)NC1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300013126786	0	53	0.0	-69.43	422.50	5.49	-63.94
C[NH+](C)CC(NC(=O)NC1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300013126789	0	53	0.0	-69.43	422.50	5.49	-63.94
C[NH+](C)CC(NC(=O)NC1=CC=C(I)C=C1)C(=O)[O-]	REAL300013126937	0	35	0.0	-56.10	314.17	6.55	-49.55
C[NH+](C)CC(NC(=O)NC1=CC=C(I)C=C1)C(=O)[O-]	REAL300013126944	0	35	0.0	-56.10	314.17	6.55	-49.55
CCCCC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013127163	0	47	0.0	-57.66	372.15	8.53	-49.13
CCCCC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013127173	0	54	0.0	-55.44	413.63	10.23	-45.21
CCCCC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013127174	0	47	0.0	-57.66	372.15	8.53	-49.13
CC(C)C1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013127442	0	51	0.0	-55.50	387.94	9.16	-46.34
CC(C)C1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013127445	0	58	0.0	-60.24	436.32	12.19	-48.05
CC(C)C1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013127445	1	58	0.0	-60.76	435.99	12.22	-48.54
C[NH+](C)CC(NC(=O)NC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300013127743	0	39	0.0	-56.57	332.48	5.26	-51.31
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OC(F)(F)F)C=C1	REAL300013127755	0	46	0.0	-56.30	373.52	7.07	-49.23
C[NH+](C)CC(NC(=O)NC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300013127756	0	39	0.0	-56.57	332.48	5.26	-51.31
CN(C)S(=O)(=O)C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1	REAL300013128039	0	46	0.0	-69.96	381.28	3.48	-66.48
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013128049	0	53	0.0	-59.76	422.69	5.30	-54.46
CN(C)S(=O)(=O)C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1	REAL300013128050	0	46	0.0	-69.96	381.28	3.48	-66.48
C[NH+](C)CC(NC(=O)NC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013128329	0	46	0.0	-65.33	374.35	8.34	-56.99
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300013128341	0	53	0.0	-52.97	418.03	10.22	-42.75
C[NH+](C)CC(NC(=O)NC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013128342	0	46	0.0	-65.33	374.35	8.34	-56.99
CC(=O)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013128592	0	47	0.0	-68.95	368.94	7.74	-61.21
CC(=O)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013128595	0	54	0.0	-69.63	416.65	10.66	-58.97
CC(=O)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013128595	1	54	0.0	-69.65	417.36	10.68	-58.97
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1Br	REAL300013128892	0	38	0.0	-59.04	325.81	6.63	-52.41
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1Br	REAL300013128904	0	45	0.0	-52.93	366.31	8.52	-44.41
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1Br	REAL300013128905	0	38	0.0	-59.04	325.81	6.63	-52.41
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(F)C(F)=C1	REAL300013129143	0	42	0.0	-52.92	340.01	7.47	-45.45
O=C([O-])C1(NC(=O)NC2=CC=C(F)C(F)=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013129146	0	49	0.0	-55.18	382.59	9.93	-45.25
O=C([O-])C1(NC(=O)NC2=CC=C(F)C(F)=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013129146	1	49	0.0	-63.86	388.51	10.41	-53.45
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OC	REAL300013129415	0	43	0.0	-60.61	344.59	4.67	-55.94
COC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1OC	REAL300013129425	0	50	0.0	-57.22	386.03	6.56	-50.66
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OC	REAL300013129426	0	43	0.0	-60.61	344.59	4.67	-55.94
C[NH+](C)CC(NC(=O)NC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300013129714	0	35	0.0	-62.73	308.93	5.98	-56.75
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(F)C(Cl)=C1	REAL300013129724	0	42	0.0	-52.60	349.89	7.93	-44.67
C[NH+](C)CC(NC(=O)NC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300013129725	0	35	0.0	-62.73	308.93	5.98	-56.75
COC1=CC(OC)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013130015	0	43	0.0	-62.43	345.16	4.13	-58.30
COC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC(OC)=C1	REAL300013130025	0	50	0.0	-56.25	385.81	5.93	-50.32
COC1=CC(OC)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013130026	0	43	0.0	-62.43	345.16	4.13	-58.30
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC(C)=C1	REAL300013130264	0	48	0.0	-53.85	370.00	8.64	-45.21
CC1=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=CC(C)=C1	REAL300013130266	0	55	0.0	-52.95	412.66	11.15	-41.80
CC1=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=CC(C)=C1	REAL300013130266	1	55	0.0	-61.04	418.61	11.64	-49.40
C[NH+](C)CC(NC(=O)NC1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300013130545	0	38	0.0	-56.45	324.86	6.52	-49.93
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C(F)(F)F)C=C1	REAL300013130556	0	45	0.0	-55.01	366.22	8.31	-46.70
C[NH+](C)CC(NC(=O)NC1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300013130557	0	38	0.0	-56.45	324.86	6.52	-49.93
CCC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013130802	0	48	0.0	-55.37	370.39	8.74	-46.63
CCC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013130804	0	55	0.0	-52.21	413.00	11.24	-40.97
CCC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013130804	1	55	0.0	-60.81	418.68	11.74	-49.07
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300013131016	0	45	0.0	-59.70	354.00	8.07	-51.63
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=C1F	REAL300013131019	0	52	0.0	-50.97	396.57	10.51	-40.46
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1F	REAL300013131019	1	52	0.0	-59.12	402.50	11.01	-48.11
C[NH+](C)CC(NC(=O)NC1=CC=CC(I)=C1)C(=O)[O-]	REAL300013131235	0	35	0.0	-61.22	314.11	6.54	-54.68
C[NH+](C)CC(NC(=O)NC1=CC=CC(I)=C1)C(=O)[O-]	REAL300013131242	0	35	0.0	-61.22	314.11	6.54	-54.68
C[NH+](C)CC(NC(=O)NC1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300013131629	0	38	0.0	-56.52	336.99	6.80	-49.72
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300013131639	0	45	0.0	-51.97	379.16	8.78	-43.19
C[NH+](C)CC(NC(=O)NC1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300013131640	0	38	0.0	-56.52	336.99	6.80	-49.72
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013131917	0	39	0.0	-64.50	331.86	5.28	-59.22
COC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1Cl	REAL300013131927	0	46	0.0	-53.98	373.18	7.18	-46.80
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013131928	0	39	0.0	-64.50	331.86	5.28	-59.22
CCC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013132172	0	48	0.0	-53.38	370.09	8.73	-44.65
CCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013132174	0	55	0.0	-52.28	412.75	11.26	-41.02
CCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013132174	1	55	0.0	-60.14	418.96	11.71	-48.43
O=C([O-])C1(NC(=O)NC2=CSC=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013132344	0	46	0.0	-51.54	360.03	8.75	-42.79
O=C([O-])C1(NC(=O)NC2=CSC=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013132344	1	46	0.0	-59.75	365.95	9.21	-50.54
CC1=CC(Br)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013132584	0	38	0.0	-56.11	328.92	6.84	-49.27
CC1=CC(Br)=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013132596	0	45	0.0	-56.91	369.99	8.66	-48.25
CC1=CC(Br)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013132597	0	38	0.0	-56.11	328.92	6.84	-49.27
C[NH+](C)CC(NC(=O)NC1=NN(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300013132871	0	38	0.0	-60.18	327.22	5.66	-54.52
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NN(CC(F)(F)F)C=C1	REAL300013132882	0	45	0.0	-57.33	368.74	7.48	-49.85
C[NH+](C)CC(NC(=O)NC1=NN(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300013132883	0	38	0.0	-60.18	327.22	5.66	-54.52
C[NH+](C)CC(NC(=O)NC1=CC=C(C2CCC2)C=C1)C(=O)[O-]	REAL300013133172	0	45	0.0	-56.11	351.55	8.06	-48.05
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C2CCC2)C=C1	REAL300013133182	0	52	0.0	-55.30	393.25	9.88	-45.42
C[NH+](C)CC(NC(=O)NC1=CC=C(C2CCC2)C=C1)C(=O)[O-]	REAL300013133183	0	45	0.0	-56.11	351.55	8.06	-48.05
CC1=COC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C12	REAL300013133475	0	41	0.0	-62.90	335.23	6.57	-56.33
CC1=COC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C12	REAL300013133485	0	48	0.0	-57.43	376.56	8.31	-49.12
CC1=COC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C12	REAL300013133486	0	41	0.0	-62.90	335.23	6.57	-56.33
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OCC1CCOCC1	REAL300013133731	0	56	0.0	-57.74	431.26	7.47	-50.27
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OCC1CCOCC1	REAL300013133738	0	56	0.0	-57.74	431.26	7.47	-50.27
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1N1CCCS1(=O)=O	REAL300013133905	0	50	0.0	-73.53	403.62	5.18	-68.35
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1N1CCCS1(=O)=O	REAL300013133911	0	50	0.0	-73.53	403.62	5.18	-68.35
CC1=CSC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013134057	0	42	0.0	-54.49	335.22	7.02	-47.47
CC1=CSC=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013134059	0	49	0.0	-61.37	383.39	9.96	-51.41
CC1=CSC=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013134059	1	49	0.0	-61.64	383.35	9.96	-51.68
C[NH+](C)CC(NC(=O)NC1=CC=C(S(C)=O)C(F)=C1)C(=O)[O-]	REAL300013134329	0	40	0.0	-63.01	344.09	4.07	-58.94
CS(=O)C1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300013134341	0	47	0.0	-60.82	384.37	6.11	-54.71
C[NH+](C)CC(NC(=O)NC1=CC=C(S(C)=O)C(F)=C1)C(=O)[O-]	REAL300013134342	0	40	0.0	-63.01	344.09	4.07	-58.94
C[NH+](C)CC(NC(=O)NC1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300013134645	0	42	0.0	-70.88	350.91	3.33	-67.55
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2CCS(=O)(=O)C2=C1	REAL300013134657	0	49	0.0	-75.98	392.18	5.21	-70.77
C[NH+](C)CC(NC(=O)NC1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300013134658	0	42	0.0	-70.88	350.91	3.33	-67.55
CC1=C(C)C2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2O1	REAL300013134953	0	44	0.0	-59.84	356.61	7.38	-52.46
CC1=C(C)C2=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=CC=C2O1	REAL300013134964	0	51	0.0	-57.62	398.12	9.29	-48.33
CC1=C(C)C2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2O1	REAL300013134965	0	44	0.0	-59.84	356.61	7.38	-52.46
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC(C)C	REAL300013135275	0	49	0.0	-60.18	384.24	6.24	-53.94
COC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1OC(C)C	REAL300013135287	0	56	0.0	-56.85	426.47	8.04	-48.81
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC(C)C	REAL300013135288	0	49	0.0	-60.18	384.24	6.24	-53.94
CN1C=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013135567	0	42	0.0	-61.38	340.08	7.14	-54.24
CN1C=CC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C21	REAL300013135577	0	49	0.0	-56.39	381.82	9.08	-47.31
CN1C=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013135578	0	42	0.0	-61.38	340.08	7.14	-54.24
C[NH+](C)CC(NC(=O)NC1=CC=C(CCC(F)(F)F)C=C1)C(=O)[O-]	REAL300013135880	0	44	0.0	-58.84	368.79	8.14	-50.70
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(CCC(F)(F)F)C=C1	REAL300013135892	0	51	0.0	-56.15	410.03	9.91	-46.24
C[NH+](C)CC(NC(=O)NC1=CC=C(CCC(F)(F)F)C=C1)C(=O)[O-]	REAL300013135893	0	44	0.0	-58.84	368.79	8.14	-50.70
C[NH+](C)CC(NC(=O)NC1=CC=C(N2N=CC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300013136141	0	48	0.0	-66.99	390.21	8.72	-58.27
C[NH+](C)CC(NC(=O)NC1=CC=C(N2N=CC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300013136150	0	48	0.0	-66.99	390.21	8.72	-58.27
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(C)=C1Br	REAL300013136383	0	41	0.0	-59.14	344.04	7.22	-51.92
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC(C)=C1Br	REAL300013136393	0	48	0.0	-53.07	384.47	9.08	-43.99
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(C)=C1Br	REAL300013136394	0	41	0.0	-59.14	344.04	7.22	-51.92
CCOC1=C(Cl)C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013136639	0	42	0.0	-57.95	373.50	6.95	-51.00
CCOC1=C(Cl)C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013136649	0	42	0.0	-57.95	373.50	6.95	-51.00
CC1=CC=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013136816	0	45	0.0	-53.86	345.28	8.14	-45.72
CC1=CC=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013136817	0	52	0.0	-60.67	393.66	11.14	-49.53
CC1=CC=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013136817	1	52	0.0	-62.73	393.61	11.13	-51.60
O=C([O-])C1(NC(=O)NC2=NC=CS2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013136967	0	45	0.0	-57.10	360.31	8.47	-48.63
O=C([O-])C1(NC(=O)NC2=NC=CS2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013136967	1	45	0.0	-57.13	360.25	8.46	-48.67
CC1=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=NO1	REAL300013137099	0	48	0.0	-58.60	372.16	9.51	-49.09
CC1=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=NO1	REAL300013137099	1	48	0.0	-58.63	372.11	9.49	-49.14
O=C([O-])C1(NC(=O)NC2=CC=NC=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013137216	0	48	0.0	-61.21	370.99	8.54	-52.67
O=C([O-])C1(NC(=O)NC2=CC=NC=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013137216	1	48	0.0	-52.93	364.96	8.05	-44.88
O=C([O-])C1(NC(=O)NC2=CC=CC=N2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013137329	0	48	0.0	-58.47	366.11	9.55	-48.92
O=C([O-])C1(NC(=O)NC2=CC=CC=N2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013137329	1	48	0.0	-58.46	366.07	9.54	-48.92
CC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=N1	REAL300013137467	0	44	0.0	-57.66	345.53	7.74	-49.92
CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013137469	0	51	0.0	-67.23	393.71	10.62	-56.61
CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013137469	1	51	0.0	-67.28	393.65	10.62	-56.66
CC1=CSC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=N1	REAL300013137638	0	41	0.0	-51.25	333.56	6.11	-45.14
CC1=CSC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013137640	0	48	0.0	-57.38	382.11	9.06	-48.32
CC1=CSC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013137640	1	48	0.0	-57.37	382.06	9.05	-48.32
CC1=CN=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])S1	REAL300013137815	0	41	0.0	-57.34	336.29	6.78	-50.56
CC1=CN=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300013137817	0	48	0.0	-66.34	384.28	9.74	-56.60
CC1=CN=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300013137817	1	48	0.0	-66.39	384.23	9.73	-56.66
CC1=NN(C)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013137990	0	45	0.0	-56.02	350.14	6.66	-49.36
CC1=NN(C)C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013137992	0	52	0.0	-56.01	392.13	9.06	-46.95
CC1=NN(C)C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013137992	1	52	0.0	-55.81	392.09	9.06	-46.75
CC(=O)C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1C	REAL300013138235	0	43	0.0	-57.77	342.40	6.61	-51.16
CC(=O)C1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1C	REAL300013138245	0	50	0.0	-54.61	385.12	8.43	-46.18
CC(=O)C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1C	REAL300013138246	0	43	0.0	-57.77	342.40	6.61	-51.16
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1Cl	REAL300013138515	0	45	0.0	-54.78	362.74	8.47	-46.31
CC(C)CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013138789	0	51	0.0	-65.66	403.95	7.87	-57.79
CC(C)CCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300013138799	0	58	0.0	-53.83	445.80	9.73	-44.10
CC(C)CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013138800	0	51	0.0	-65.66	403.95	7.87	-57.79
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC=C2NC=CC2=C1	REAL300013139038	0	45	0.0	-58.58	355.37	7.19	-51.39
O=C([O-])C1(NC(=O)NC2=NC=C3NC=CC3=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013139041	0	52	0.0	-60.08	397.56	9.61	-50.47
O=C([O-])C1(NC(=O)NC2=NC=C3NC=CC3=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013139041	1	52	0.0	-59.88	397.51	9.59	-50.29
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(Cl)=C1OC	REAL300013139333	0	43	0.0	-58.38	365.17	5.32	-53.06
COC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC(Cl)=C1OC	REAL300013139345	0	50	0.0	-56.67	405.54	7.16	-49.51
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(Cl)=C1OC	REAL300013139346	0	43	0.0	-58.38	365.17	5.32	-53.06
CSC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1C	REAL300013139620	0	42	0.0	-57.54	344.81	7.09	-50.45
CSC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1C	REAL300013139630	0	49	0.0	-53.90	385.89	8.90	-45.00
CSC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1C	REAL300013139631	0	42	0.0	-57.54	344.81	7.09	-50.45
C[NH+](C)CC(NC(=O)NC1=CC=C2CCCCCC2=C1)C(=O)[O-]	REAL300013139940	0	48	0.0	-59.70	363.67	8.46	-51.24
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2CCCCCC2=C1	REAL300013139951	0	55	0.0	-54.34	405.06	10.29	-44.05
C[NH+](C)CC(NC(=O)NC1=CC=C2CCCCCC2=C1)C(=O)[O-]	REAL300013139952	0	48	0.0	-59.70	363.67	8.46	-51.24
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(Cl)=C1OC	REAL300013140296	0	43	0.0	-58.38	365.17	5.32	-53.06
COC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC(Cl)=C1OC	REAL300013140308	0	50	0.0	-56.67	405.54	7.16	-49.51
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(Cl)=C1OC	REAL300013140309	0	43	0.0	-58.38	365.17	5.32	-53.06
COCC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C(F)(F)F	REAL300013140567	0	45	0.0	-57.02	371.55	6.20	-50.82
COCC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C(F)(F)F	REAL300013140577	0	45	0.0	-57.02	371.55	6.20	-50.82
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300013140842	0	41	0.0	-55.91	346.27	7.19	-48.72
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300013140854	0	48	0.0	-52.57	387.67	8.99	-43.58
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300013140855	0	41	0.0	-55.91	346.27	7.19	-48.72
CSC1=CC=CC(NC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])N=C2)=C1	REAL300013141072	0	50	0.0	-63.49	413.54	8.52	-54.97
CSC1=CC=CC(NC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])N=C2)=C1	REAL300013141075	0	50	0.0	-63.49	413.54	8.52	-54.97
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1Cl	REAL300013141251	0	45	0.0	-54.78	362.74	8.47	-46.31
C[NH+](C)CC(NC(=O)NC1=CC=CC(CN2CCCS2(=O)=O)=C1)C(=O)[O-]	REAL300013141479	0	50	0.0	-65.34	410.01	4.54	-60.80
C[NH+](C)CC(NC(=O)NC1=CC=CC(CN2CCCS2(=O)=O)=C1)C(=O)[O-]	REAL300013141485	0	50	0.0	-65.34	410.01	4.54	-60.80
C[NH+](C)CC(NC(=O)NC1=CC=C(OCCS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300013141663	0	48	0.0	-67.40	401.27	3.29	-64.11
C[NH+](C)CC(NC(=O)NC1=CC=C(OCCS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300013141671	0	48	0.0	-67.40	401.27	3.29	-64.11
CN1C(Cl)=CN=C1C1=CSC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013141872	0	41	0.0	-56.45	366.62	6.69	-49.76
CN1C(Cl)=CN=C1C1=CSC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013141880	0	41	0.0	-56.45	366.62	6.69	-49.76
COC1=CC=CC(NC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])N=C2)=C1	REAL300013142098	0	50	0.0	-64.51	403.42	6.79	-57.72
COC1=CC=CC(NC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])N=C2)=C1	REAL300013142106	0	50	0.0	-64.51	403.42	6.79	-57.72
C[NH+](C)CC(NC(=O)NC1=CC=CC(NC2=CC=CC=C2)=N1)C(=O)[O-]	REAL300013142353	0	46	0.0	-56.32	370.60	8.48	-47.84
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(NC2=CC=CC=C2)=N1	REAL300013142365	0	53	0.0	-52.33	412.52	10.30	-42.03
C[NH+](C)CC(NC(=O)NC1=CC=CC(NC2=CC=CC=C2)=N1)C(=O)[O-]	REAL300013142366	0	46	0.0	-56.32	370.60	8.48	-47.84
C[NH+](C)CC(NC(=O)NC1=CC=C2COCCC2=C1)C(=O)[O-]	REAL300013142639	0	43	0.0	-59.69	339.59	5.57	-54.12
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2COCCC2=C1	REAL300013142649	0	50	0.0	-56.24	381.01	7.46	-48.78
C[NH+](C)CC(NC(=O)NC1=CC=C2COCCC2=C1)C(=O)[O-]	REAL300013142650	0	43	0.0	-59.69	339.59	5.57	-54.12
C[NH+](C)CC(NC(=O)NC1=CC=C2CCCC=CC2=C1)C(=O)[O-]	REAL300013142963	0	46	0.0	-58.62	356.94	8.49	-50.13
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2CCCC=CC2=C1	REAL300013142973	0	53	0.0	-53.84	398.37	10.30	-43.54
C[NH+](C)CC(NC(=O)NC1=CC=C2CCCC=CC2=C1)C(=O)[O-]	REAL300013142974	0	46	0.0	-58.62	356.94	8.49	-50.13
CSC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Br	REAL300013143226	0	39	0.0	-63.19	345.19	7.03	-56.16
CSC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Br	REAL300013143233	0	39	0.0	-63.19	345.19	7.03	-56.16
CCC(C)C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013143457	0	47	0.0	-60.60	364.97	8.00	-52.60
CCC(C)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013143467	0	54	0.0	-52.85	405.48	9.90	-42.95
CCC(C)C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013143468	0	47	0.0	-60.60	364.97	8.00	-52.60
CC1=CNC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C12	REAL300013143758	0	42	0.0	-60.11	339.89	6.21	-53.90
CC1=CNC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C12	REAL300013143768	0	49	0.0	-55.81	380.61	8.01	-47.80
CC1=CNC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C12	REAL300013143769	0	42	0.0	-60.11	339.89	6.21	-53.90
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC(F)F	REAL300013144071	0	43	0.0	-63.88	354.35	4.95	-58.93
COC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1OC(F)F	REAL300013144083	0	50	0.0	-60.79	396.14	6.80	-53.99
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC(F)F	REAL300013144084	0	43	0.0	-63.88	354.35	4.95	-58.93
CN1C=C(C2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2)N=N1	REAL300013144382	0	44	0.0	-77.13	361.97	5.60	-71.53
CN1C=C(C2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C2)N=N1	REAL300013144394	0	51	0.0	-67.15	403.32	7.43	-59.72
CN1C=C(C2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2)N=N1	REAL300013144395	0	44	0.0	-77.13	361.97	5.60	-71.53
C[NH+](C)CC(NC(=O)NC1=CC=C(NC2=CC=CC=C2)C=N1)C(=O)[O-]	REAL300013144703	0	46	0.0	-62.68	372.79	7.43	-55.25
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(NC2=CC=CC=C2)C=N1	REAL300013144715	0	53	0.0	-58.05	414.80	9.38	-48.67
C[NH+](C)CC(NC(=O)NC1=CC=C(NC2=CC=CC=C2)C=N1)C(=O)[O-]	REAL300013144716	0	46	0.0	-62.68	372.79	7.43	-55.25
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2CC2(F)F)C=C1)C(=O)[O-]	REAL300013145008	0	43	0.0	-61.74	360.09	6.64	-55.10
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OC2CC2(F)F)C=C1	REAL300013145020	0	50	0.0	-60.49	401.97	8.39	-52.10
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2CC2(F)F)C=C1)C(=O)[O-]	REAL300013145021	0	43	0.0	-61.74	360.09	6.64	-55.10
CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])N=C1C	REAL300013145294	0	44	0.0	-63.64	353.97	6.14	-57.50
CCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])N=C1C	REAL300013145304	0	51	0.0	-58.34	395.82	8.04	-50.30
CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])N=C1C	REAL300013145305	0	44	0.0	-63.64	353.97	6.14	-57.50
C[NH+](C)CC(NC(=O)NC1=CC=CC(S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013145521	0	48	0.0	-71.44	404.23	6.23	-65.21
C[NH+](C)CC(NC(=O)NC1=CC=CC(S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013145524	0	48	0.0	-71.44	404.23	6.23	-65.21
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=CN=N2)C=C1)C(=O)[O-]	REAL300013145734	0	44	0.0	-63.18	367.28	4.57	-58.61
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OC2=CC=CN=N2)C=C1	REAL300013145746	0	51	0.0	-60.80	408.23	6.38	-54.42
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=CN=N2)C=C1)C(=O)[O-]	REAL300013145747	0	44	0.0	-63.18	367.28	4.57	-58.61
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013146067	0	49	0.0	-67.66	394.62	6.42	-61.24
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013146077	0	49	0.0	-67.66	394.62	6.42	-61.24
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2CCCCC2)=C1)C(=O)[O-]	REAL300013146350	0	51	0.0	-60.68	388.23	9.26	-51.42
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C2CCCCC2)=C1	REAL300013146362	0	58	0.0	-56.36	429.13	11.17	-45.19
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2CCCCC2)=C1)C(=O)[O-]	REAL300013146363	0	51	0.0	-60.68	388.23	9.26	-51.42
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CS1	REAL300013146582	0	42	0.0	-52.77	339.09	7.05	-45.72
CC1=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=CS1	REAL300013146584	0	49	0.0	-59.63	387.70	10.02	-49.61
CC1=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=CS1	REAL300013146584	1	49	0.0	-59.67	387.64	10.02	-49.65
C[NH+](C)CC(NC(=O)NC1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146816	0	45	0.0	-56.23	380.71	6.93	-49.30
C[NH+](C)CC(NC(=O)NC1=NC(COC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013146826	0	45	0.0	-56.23	380.71	6.93	-49.30
CC1COCCN1C1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013147017	0	51	0.0	-60.73	408.45	5.85	-54.88
CC1COCCN1C1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013147023	0	51	0.0	-60.73	408.45	5.85	-54.88
CCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C	REAL300013147257	0	48	0.0	-59.91	379.25	7.19	-52.72
CCCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1C	REAL300013147268	0	55	0.0	-55.44	420.21	9.13	-46.31
CCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C	REAL300013147269	0	48	0.0	-59.91	379.25	7.19	-52.72
COCC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OC	REAL300013147584	0	46	0.0	-58.79	367.24	4.75	-54.04
COCC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1OC	REAL300013147595	0	53	0.0	-58.24	409.35	6.57	-51.67
COCC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OC	REAL300013147596	0	46	0.0	-58.79	367.24	4.75	-54.04
CCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013147910	0	45	0.0	-66.29	365.48	6.56	-59.73
CCCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300013147921	0	52	0.0	-53.62	406.38	8.45	-45.17
CCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013147922	0	45	0.0	-66.29	365.48	6.56	-59.73
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NOC(C2CC2)=C1	REAL300013148167	0	45	0.0	-52.24	355.61	8.13	-44.11
O=C([O-])C1(NC(=O)NC2=NOC(C3CC3)=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013148170	0	52	0.0	-50.70	397.81	10.60	-40.10
O=C([O-])C1(NC(=O)NC2=NOC(C3CC3)=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013148170	1	52	0.0	-58.49	403.76	11.06	-47.43
CCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OC	REAL300013148446	0	49	0.0	-61.32	388.42	6.35	-54.97
CCCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1OC	REAL300013148458	0	56	0.0	-56.83	429.38	8.28	-48.55
CCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1OC	REAL300013148459	0	49	0.0	-61.32	388.42	6.35	-54.97
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013148735	0	49	0.0	-65.41	397.06	8.75	-56.66
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300013148745	0	56	0.0	-55.86	439.40	10.65	-45.21
C[NH+](C)CC(NC(=O)NC1=CC=CC(OCC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013148746	0	49	0.0	-65.41	397.06	8.75	-56.66
C[NH+](C)CC(NC(=O)NC1=CC=CC(SC(F)(F)F)=C1)C(=O)[O-]	REAL300013149011	0	39	0.0	-60.03	342.25	6.93	-53.10
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(SC(F)(F)F)=C1	REAL300013149023	0	46	0.0	-56.62	383.68	8.84	-47.78
C[NH+](C)CC(NC(=O)NC1=CC=CC(SC(F)(F)F)=C1)C(=O)[O-]	REAL300013149024	0	39	0.0	-60.03	342.25	6.93	-53.10
CN1N=C(C2CCOCC2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013149307	0	49	0.0	-61.06	381.02	5.52	-55.54
CN1N=C(C2CCOCC2)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013149319	0	56	0.0	-57.80	422.10	7.41	-50.39
CN1N=C(C2CCOCC2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013149320	0	49	0.0	-61.06	381.02	5.52	-55.54
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2CCOCC2)=C1)C(=O)[O-]	REAL300013149620	0	49	0.0	-60.29	378.93	6.85	-53.44
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C2CCOCC2)=C1	REAL300013149632	0	56	0.0	-52.56	420.68	8.75	-43.81
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2CCOCC2)=C1)C(=O)[O-]	REAL300013149633	0	49	0.0	-60.29	378.93	6.85	-53.44
C[NH+](C)CC(NC(=O)NC1=CC=C2NC(C(N)=O)=CC2=C1)C(=O)[O-]	REAL300013149942	0	43	0.0	-65.56	354.81	2.20	-63.36
NC(=O)C1=CC2=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=CC=C2N1	REAL300013149954	0	50	0.0	-63.12	395.61	4.03	-59.09
C[NH+](C)CC(NC(=O)NC1=CC=C2NC(C(N)=O)=CC2=C1)C(=O)[O-]	REAL300013149955	0	43	0.0	-65.56	354.81	2.20	-63.36
CC(C)OC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1Br	REAL300013150181	0	45	0.0	-57.13	375.75	6.97	-50.16
CC(C)OC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1Br	REAL300013150185	0	45	0.0	-57.13	375.75	6.97	-50.16
CC1=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=CS1	REAL300013150323	0	42	0.0	-53.44	335.57	7.10	-46.34
CC1=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=CS1	REAL300013150325	0	49	0.0	-51.49	377.93	9.57	-41.92
CC1=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=CS1	REAL300013150325	1	49	0.0	-60.20	383.69	10.04	-50.16
C[NH+](C)CC(NC(=O)NC1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150568	0	50	0.0	-54.34	384.53	7.77	-46.57
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC(C2CCCCCC2)=CS1	REAL300013150578	0	57	0.0	-50.52	427.75	9.71	-40.81
C[NH+](C)CC(NC(=O)NC1=NC(C2CCCCCC2)=CS1)C(=O)[O-]	REAL300013150579	0	50	0.0	-54.34	384.53	7.77	-46.57
C[NH+](C)CC(NC(=O)NC1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150798	0	50	0.0	-54.53	404.06	9.08	-45.45
C[NH+](C)CC(NC(=O)NC1=NC(C(C)(C)C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013150805	0	50	0.0	-54.53	404.06	9.08	-45.45
C[NH+](C)CC(NC(=O)NC1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151165	0	47	0.0	-53.69	373.26	7.49	-46.20
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC(C2CCCCC2)=CS1	REAL300013151177	0	54	0.0	-50.92	414.95	9.26	-41.66
C[NH+](C)CC(NC(=O)NC1=NC(C2CCCCC2)=CS1)C(=O)[O-]	REAL300013151178	0	47	0.0	-53.69	373.26	7.49	-46.20
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2OC=CC2=C1	REAL300013151434	0	45	0.0	-57.25	355.14	7.80	-49.45
O=C([O-])C1(NC(=O)NC2=CC=C3OC=CC3=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013151437	0	52	0.0	-56.42	397.29	10.13	-46.29
O=C([O-])C1(NC(=O)NC2=CC=C3OC=CC3=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013151437	1	52	0.0	-67.39	403.50	10.60	-56.79
CC1=CC=C(OC2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)C(C)=C1	REAL300013151687	0	52	0.0	-64.65	415.82	9.72	-54.93
CC1=CC=C(OC2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)C(C)=C1	REAL300013151695	0	52	0.0	-64.65	415.82	9.72	-54.93
C[NH+](C)CC(NC(=O)NC1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300013151950	0	38	0.0	-55.56	325.00	6.43	-49.13
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(F)C(C(F)F)=C1	REAL300013151961	0	45	0.0	-54.54	363.49	8.23	-46.31
C[NH+](C)CC(NC(=O)NC1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300013151962	0	38	0.0	-55.56	325.00	6.43	-49.13
C[NH+](C)CC(NC(=O)NC1=CSC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300013152258	0	37	0.0	-68.52	332.40	-0.63	-69.15
NS(=O)(=O)C1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CS1	REAL300013152270	0	44	0.0	-57.72	373.62	1.25	-56.47
C[NH+](C)CC(NC(=O)NC1=CSC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300013152271	0	37	0.0	-68.52	332.40	-0.63	-69.15
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C(=O)C1=CC=CC=C1	REAL300013152526	0	50	0.0	-69.99	405.95	9.41	-60.58
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C(=O)C1=CC=CC=C1	REAL300013152535	0	50	0.0	-69.99	405.95	9.41	-60.58
CCCNC(=O)CC1=CSC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013152829	0	47	0.0	-59.87	393.79	4.39	-55.48
CCCNC(=O)CC1=CSC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=N1	REAL300013152839	0	54	0.0	-60.19	435.44	6.16	-54.03
CCCNC(=O)CC1=CSC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013152840	0	47	0.0	-59.87	393.79	4.39	-55.48
C[NH+](C)CC(NC(=O)NC1=CC(F)=CC(OC(F)F)=C1)C(=O)[O-]	REAL300013153120	0	39	0.0	-59.09	331.81	5.17	-53.92
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC(F)=CC(OC(F)F)=C1	REAL300013153132	0	46	0.0	-56.00	372.87	6.95	-49.05
C[NH+](C)CC(NC(=O)NC1=CC(F)=CC(OC(F)F)=C1)C(=O)[O-]	REAL300013153133	0	39	0.0	-59.09	331.81	5.17	-53.92
CN(C)C1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013153421	0	43	0.0	-64.19	346.75	5.01	-59.18
CN(C)C1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300013153431	0	50	0.0	-54.60	389.25	6.90	-47.70
CN(C)C1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013153432	0	43	0.0	-64.19	346.75	5.01	-59.18
CC1=CC=CC(OC2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)=C1	REAL300013153717	0	49	0.0	-64.47	396.60	8.97	-55.50
CC1=CC=CC(OC2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C2)=C1	REAL300013153727	0	56	0.0	-60.89	439.43	10.88	-50.01
CC1=CC=CC(OC2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)=C1	REAL300013153728	0	49	0.0	-64.47	396.60	8.97	-55.50
COCC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC	REAL300013154008	0	46	0.0	-58.54	368.06	4.66	-53.88
COCC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1OC	REAL300013154019	0	53	0.0	-53.03	409.87	6.59	-46.44
COCC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC	REAL300013154020	0	46	0.0	-58.54	368.06	4.66	-53.88
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300013154332	0	44	0.0	-61.35	368.25	3.71	-57.64
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300013154344	0	51	0.0	-62.89	408.92	5.51	-57.38
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300013154345	0	44	0.0	-61.35	368.25	3.71	-57.64
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C(=O)C1=CC=CC=C1	REAL300013154562	0	51	0.0	-72.05	417.84	8.25	-63.80
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C(=O)C1=CC=CC=C1	REAL300013154568	0	51	0.0	-72.05	417.84	8.25	-63.80
COC1=NN(C)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013154739	0	46	0.0	-60.23	360.98	3.94	-56.29
COC1=NN(C)C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013154742	0	53	0.0	-58.87	403.18	6.39	-52.48
COC1=NN(C)C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013154742	1	53	0.0	-67.78	409.11	6.87	-60.91
C[NH+](C)CC(NC(=O)NC1=CC=CC(N=S(C)(C)=O)=C1)C(=O)[O-]	REAL300013155018	0	45	0.0	-75.93	366.35	3.80	-72.13
CS(C)(=O)=NC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013155030	0	52	0.0	-70.23	407.37	5.64	-64.59
C[NH+](C)CC(NC(=O)NC1=CC=CC(N=S(C)(C)=O)=C1)C(=O)[O-]	REAL300013155031	0	45	0.0	-75.93	366.35	3.80	-72.13
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCCCC2)C(F)=C1)C(=O)[O-]	REAL300013155309	0	50	0.0	-56.77	389.27	7.08	-49.69
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(N2CCCCC2)C(F)=C1	REAL300013155321	0	57	0.0	-60.48	431.12	8.94	-51.54
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCCCC2)C(F)=C1)C(=O)[O-]	REAL300013155322	0	50	0.0	-56.77	389.27	7.08	-49.69
CCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C(C)C	REAL300013155595	0	54	0.0	-59.65	417.78	8.47	-51.18
CCCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1C(C)C	REAL300013155607	0	61	0.0	-55.63	459.10	10.37	-45.26
CCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C(C)C	REAL300013155608	0	54	0.0	-59.65	417.78	8.47	-51.18
CN1C(=O)COC2=C1C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2	REAL300013155897	0	44	0.0	-61.20	348.99	5.28	-55.92
CN1C(=O)COC2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C21	REAL300013155909	0	51	0.0	-57.02	390.53	7.12	-49.90
CN1C(=O)COC2=C1C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2	REAL300013155910	0	44	0.0	-61.20	348.99	5.28	-55.92
N#CCC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=N1	REAL300013156260	0	45	0.0	-64.87	365.44	8.16	-56.71
N#CCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013156263	0	52	0.0	-72.57	413.97	11.13	-61.44
N#CCC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013156263	1	52	0.0	-76.95	413.92	11.12	-65.83
CC1=CC=C(C)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013156489	0	48	0.0	-53.59	366.33	8.84	-44.75
CC1=CC=C(C)C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013156491	0	55	0.0	-54.11	409.08	11.32	-42.79
CC1=CC=C(C)C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013156491	1	55	0.0	-52.73	409.00	11.30	-41.43
C[NH+](C)CC(NC(=O)NC1=CC=C(C(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300013156755	0	41	0.0	-57.49	350.59	7.23	-50.26
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C(F)C(F)(F)F)C=C1	REAL300013156767	0	48	0.0	-59.63	391.69	9.09	-50.54
C[NH+](C)CC(NC(=O)NC1=CC=C(C(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300013156768	0	41	0.0	-57.49	350.59	7.23	-50.26
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C(C)=C1	REAL300013156986	0	48	0.0	-53.91	366.68	8.81	-45.10
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C(C)=C1	REAL300013156988	0	55	0.0	-54.30	410.04	11.37	-42.93
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C(C)=C1	REAL300013156988	1	55	0.0	-60.85	414.99	11.79	-49.06
C[NH+](C)CC(NC(=O)NC1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300013157267	0	47	0.0	-63.97	364.51	7.68	-56.29
CC(C)(C)C1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300013157278	0	54	0.0	-59.46	405.46	9.62	-49.84
C[NH+](C)CC(NC(=O)NC1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300013157279	0	47	0.0	-63.97	364.51	7.68	-56.29
C[NH+](C)CC(NC(=O)NC1=CC=C2NC(=O)CS(=O)(=O)C2=C1)C(=O)[O-]	REAL300013157547	0	43	0.0	-68.77	364.11	0.88	-67.89
C[NH+](C)CC(NC(=O)NC1=CC=C2NC(=O)CS(=O)(=O)C2=C1)C(=O)[O-]	REAL300013157556	0	43	0.0	-68.77	364.11	0.88	-67.89
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C1=CSC=C1	REAL300013157805	0	45	0.0	-59.87	372.76	8.54	-51.33
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1C1=CSC=C1	REAL300013157817	0	52	0.0	-54.82	413.62	10.42	-44.40
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C1=CSC=C1	REAL300013157818	0	45	0.0	-59.87	372.76	8.54	-51.33
C[NH+](C)CC(NC(=O)NC1=CC=C2CCCCC2=N1)C(=O)[O-]	REAL300013158092	0	44	0.0	-62.56	345.47	7.65	-54.91
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2CCCCC2=N1	REAL300013158102	0	51	0.0	-60.06	386.54	9.49	-50.57
C[NH+](C)CC(NC(=O)NC1=CC=C2CCCCC2=N1)C(=O)[O-]	REAL300013158103	0	44	0.0	-62.56	345.47	7.65	-54.91
C[NH+](C)CC(NC(=O)NC1=CC=C2OC3(C=CC2=C1)CCC3)C(=O)[O-]	REAL300013158409	0	48	0.0	-60.84	379.76	7.91	-52.93
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2OC3(C=CC2=C1)CCC3	REAL300013158421	0	55	0.0	-56.08	421.10	9.74	-46.34
C[NH+](C)CC(NC(=O)NC1=CC=C2OC3(C=CC2=C1)CCC3)C(=O)[O-]	REAL300013158422	0	48	0.0	-60.84	379.76	7.91	-52.93
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=CC=C2F)C=C1)C(=O)[O-]	REAL300013158681	0	46	0.0	-61.38	382.63	8.47	-52.91
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=CC=C2F)C=C1)C(=O)[O-]	REAL300013158691	0	46	0.0	-61.38	382.63	8.47	-52.91
C[NH+](C)CC(NC(=O)NC1=CC=CC(OC2=CC=CC=C2F)=C1)C(=O)[O-]	REAL300013158928	0	46	0.0	-67.17	380.28	8.32	-58.85
C[NH+](C)CC(NC(=O)NC1=CC=CC(OC2=CC=CC=C2F)=C1)C(=O)[O-]	REAL300013158938	0	46	0.0	-67.17	380.28	8.32	-58.85
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300013159175	0	46	0.0	-57.60	380.93	8.44	-49.16
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300013159185	0	46	0.0	-57.60	380.93	8.44	-49.16
COC1=NN(C)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013159393	0	46	0.0	-60.23	360.98	3.94	-56.29
COC1=NN(C)C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013159396	0	53	0.0	-58.87	403.18	6.39	-52.48
COC1=NN(C)C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013159396	1	53	0.0	-67.78	409.11	6.87	-60.91
CN(C)C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1Cl	REAL300013159677	0	43	0.0	-57.18	355.74	5.64	-51.54
CN(C)C1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1Cl	REAL300013159688	0	50	0.0	-54.61	398.27	7.56	-47.05
CN(C)C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1Cl	REAL300013159689	0	43	0.0	-57.18	355.74	5.64	-51.54
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1Cl	REAL300013159959	0	45	0.0	-57.76	362.73	8.48	-49.28
C[NH+](C)CC(NC(=O)NC1=CC=C(N2N=NC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300013160216	0	47	0.0	-63.60	385.30	7.21	-56.39
C[NH+](C)CC(NC(=O)NC1=CC=C(N2N=NC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300013160225	0	47	0.0	-63.60	385.30	7.21	-56.39
CN(C)C1=CC(C(F)(F)F)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013160448	0	46	0.0	-55.92	377.43	7.00	-48.92
CN(C)C1=CC(C(F)(F)F)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013160458	0	46	0.0	-55.92	377.43	7.00	-48.92
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=NOC=C2)C=C1)C(=O)[O-]	REAL300013160731	0	41	0.0	-60.43	340.24	6.45	-53.98
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C2=NOC=C2)C=C1	REAL300013160741	0	48	0.0	-56.87	381.87	8.29	-48.58
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=NOC=C2)C=C1)C(=O)[O-]	REAL300013160742	0	41	0.0	-60.43	340.24	6.45	-53.98
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC2=CC=CC=C21	REAL300013161185	0	45	0.0	-60.07	360.77	7.14	-52.93
COC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC2=CC=CC=C21	REAL300013161197	0	52	0.0	-55.63	402.51	8.95	-46.68
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC2=CC=CC=C21	REAL300013161198	0	45	0.0	-60.07	360.77	7.14	-52.93
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=NOC=C2)=C1)C(=O)[O-]	REAL300013161510	0	41	0.0	-71.62	340.32	6.44	-65.18
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C2=NOC=C2)=C1	REAL300013161520	0	48	0.0	-68.07	381.71	8.33	-59.74
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=NOC=C2)=C1)C(=O)[O-]	REAL300013161521	0	41	0.0	-71.62	340.32	6.44	-65.18
C[NH+](C)CC(NC(=O)NC1=CC=NN1C1CCOC1)C(=O)[O-]	REAL300013161819	0	43	0.0	-62.90	342.91	4.52	-58.38
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=NN1C1CCOC1	REAL300013161829	0	50	0.0	-56.84	383.77	6.37	-50.47
C[NH+](C)CC(NC(=O)NC1=CC=NN1C1CCOC1)C(=O)[O-]	REAL300013161830	0	43	0.0	-62.90	342.91	4.52	-58.38
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(C2CCC2)N=C1	REAL300013162096	0	49	0.0	-58.59	374.90	7.10	-51.49
O=C([O-])C1(NC(=O)NC2=CN(C3CCC3)N=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013162099	0	56	0.0	-57.05	417.41	9.54	-47.51
O=C([O-])C1(NC(=O)NC2=CN(C3CCC3)N=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013162099	1	56	0.0	-65.95	423.34	10.02	-55.93
C[NH+](C)CC(NC(=O)NC1=CC=CC(OC(C)(C)C)=C1)C(=O)[O-]	REAL300013162396	0	48	0.0	-57.23	366.68	6.63	-50.60
CC(C)(C)OC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013162407	0	55	0.0	-59.79	408.16	8.55	-51.24
C[NH+](C)CC(NC(=O)NC1=CC=CC(OC(C)(C)C)=C1)C(=O)[O-]	REAL300013162408	0	48	0.0	-57.23	366.68	6.63	-50.60
CC(=O)C1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013162680	0	47	0.0	-64.11	370.22	7.72	-56.39
CC(=O)C1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013162683	0	54	0.0	-66.66	416.35	10.68	-55.98
CC(=O)C1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013162683	1	54	0.0	-67.42	416.76	10.71	-56.71
CC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1C	REAL300013162910	0	48	0.0	-53.97	363.51	8.85	-45.12
CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1C	REAL300013162912	0	55	0.0	-52.84	404.65	11.19	-41.65
CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1C	REAL300013162912	1	55	0.0	-52.81	404.60	11.17	-41.64
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC=C1Cl	REAL300013163128	0	42	0.0	-51.56	342.52	7.96	-43.60
O=C([O-])C1(NC(=O)NC2=CC=CC=C2Cl)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013163131	0	49	0.0	-57.44	389.92	10.90	-46.54
O=C([O-])C1(NC(=O)NC2=CC=CC=C2Cl)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013163131	1	49	0.0	-57.51	389.86	10.90	-46.61
CC1=CC(Cl)=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013163372	0	45	0.0	-53.14	362.01	8.66	-44.48
CC1=C(Cl)C=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013163630	0	45	0.0	-50.93	360.30	8.81	-42.12
CC1=CC(I)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013163836	0	38	0.0	-58.24	331.69	7.43	-50.81
CC1=CC(I)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013163839	0	38	0.0	-58.24	331.69	7.43	-50.81
O=C([O-])C1(NC(=O)NC2=CC=CN=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013163932	0	48	0.0	-52.27	364.98	8.05	-44.22
O=C([O-])C1(NC(=O)NC2=CC=CN=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013163932	1	48	0.0	-60.47	370.92	8.52	-51.95
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C(Cl)=C1	REAL300013164125	0	45	0.0	-49.32	363.38	8.68	-40.64
CC1=CC=C(F)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013164358	0	45	0.0	-55.92	351.70	8.21	-47.71
CC1=CC=C(F)C=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013164361	0	52	0.0	-57.72	394.07	10.72	-47.00
CC1=CC=C(F)C=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013164361	1	52	0.0	-54.79	394.01	10.70	-44.09
CC1=CC=C(Cl)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013164601	0	45	0.0	-54.74	362.03	8.67	-46.07
CCC1=CC=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013164830	0	48	0.0	-53.02	365.15	8.94	-44.08
CCC1=CC=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013164832	0	55	0.0	-60.04	413.87	11.90	-48.14
CCC1=CC=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013164832	1	55	0.0	-62.13	414.50	11.96	-50.17
CC1=CC(F)=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013165044	0	45	0.0	-53.70	351.70	8.20	-45.50
CC1=CC(F)=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013165047	0	52	0.0	-60.15	400.05	11.20	-48.95
CC1=CC(F)=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013165047	1	52	0.0	-60.28	399.98	11.19	-49.09
CC1=CC(Br)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013165328	0	38	0.0	-58.24	324.97	7.01	-51.23
CC1=CC(Br)=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013165340	0	45	0.0	-53.11	366.58	8.76	-44.35
CC1=CC(Br)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013165341	0	38	0.0	-58.24	324.97	7.01	-51.23
CC(C)N1N=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013165567	0	48	0.0	-56.43	369.52	7.64	-48.79
CC(C)N1N=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013165570	0	55	0.0	-55.09	412.07	10.07	-45.02
CC(C)N1N=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013165570	1	55	0.0	-63.59	418.02	10.55	-53.04
CC1=CC(N2CCCC2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013165854	0	50	0.0	-59.26	377.50	6.79	-52.47
CC1=CC(N2CCCC2)=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013165866	0	57	0.0	-55.89	419.12	8.57	-47.32
CC1=CC(N2CCCC2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013165867	0	50	0.0	-59.26	377.50	6.79	-52.47
CCN1N=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013166083	0	45	0.0	-56.46	349.46	6.91	-49.55
CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013166085	0	52	0.0	-63.64	398.00	9.84	-53.80
CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013166085	1	52	0.0	-63.94	397.95	9.82	-54.12
C[NH+](C)CC(NC(=O)NC1=CC=NN1CC1=CC=CC=N1)C(=O)[O-]	REAL300013166353	0	44	0.0	-61.56	362.96	6.26	-55.30
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=NN1CC1=CC=CC=N1	REAL300013166365	0	51	0.0	-56.95	404.38	8.10	-48.85
C[NH+](C)CC(NC(=O)NC1=CC=NN1CC1=CC=CC=N1)C(=O)[O-]	REAL300013166366	0	44	0.0	-61.56	362.96	6.26	-55.30
CC(C)C1=CC=C(CN2N=CC=C2NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013166618	0	54	0.0	-61.19	426.70	9.99	-51.20
CC(C)C1=CC=C(CN2N=CC=C2NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013166626	0	54	0.0	-61.19	426.70	9.99	-51.20
C[NH+](C)CC(NC(=O)NC1=CC=NN1CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300013166878	0	57	0.0	-60.45	442.54	10.47	-49.98
C[NH+](C)CC(NC(=O)NC1=CC=NN1CC1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300013166882	0	57	0.0	-60.45	442.54	10.47	-49.98
COC1=CC=CC(CN2N=CC=C2NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1OC	REAL300013167015	0	53	0.0	-59.18	426.36	7.86	-51.32
COC1=CC=CC(CN2N=CC=C2NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1OC	REAL300013167018	0	53	0.0	-59.18	426.36	7.86	-51.32
C[NH+](C)CC(NC(=O)NC1=CC=NN1CC1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300013167242	0	48	0.0	-61.31	405.07	9.15	-52.16
C[NH+](C)CC(NC(=O)NC1=CC=NN1CC1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300013167245	0	48	0.0	-61.31	405.07	9.15	-52.16
COC1=CC=C(CN2N=CC=C2NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(OC)=C1	REAL300013167422	0	53	0.0	-52.22	420.50	6.72	-45.50
COC1=CC=C(CN2N=CC=C2NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(OC)=C1	REAL300013167425	0	53	0.0	-52.22	420.50	6.72	-45.50
CC(C)CCN1N=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013167621	0	47	0.0	-59.61	368.60	7.14	-52.47
CC(C)CCN1N=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013167631	0	54	0.0	-56.05	410.37	8.94	-47.11
CC(C)CCN1N=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013167632	0	47	0.0	-59.61	368.60	7.14	-52.47
CC1=NN(CC2=CC=CC=C2)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013167936	0	48	0.0	-61.36	387.89	8.68	-52.68
CC1=NN(CC2=CC=CC=C2)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013167948	0	55	0.0	-55.77	429.98	10.62	-45.15
CC1=NN(CC2=CC=CC=C2)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013167949	0	48	0.0	-61.36	387.89	8.68	-52.68
CC1=CC=C(Cl)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013168200	0	45	0.0	-51.43	363.59	8.68	-42.75
CC1=CC=C(Br)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013168499	0	38	0.0	-58.01	326.21	7.00	-51.01
CC1=CC=C(Br)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013168511	0	45	0.0	-54.66	366.60	8.77	-45.89
CC1=CC=C(Br)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013168512	0	38	0.0	-58.01	326.21	7.00	-51.01
CC1=C(Br)C=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013168804	0	38	0.0	-56.95	321.19	6.82	-50.13
CC1=C(Br)C=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013168816	0	45	0.0	-49.84	363.53	8.83	-41.01
CC1=C(Br)C=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013168817	0	38	0.0	-56.95	321.19	6.82	-50.13
CC1=CC=C(C(F)(F)F)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013169112	0	41	0.0	-59.50	342.83	7.31	-52.19
CC1=CC=C(C(F)(F)F)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013169124	0	48	0.0	-55.30	383.64	9.17	-46.13
CC1=CC=C(C(F)(F)F)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013169125	0	41	0.0	-59.50	342.83	7.31	-52.19
C[NH+](C)CC(NC(=O)NC1=CC=NN1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013169421	0	45	0.0	-61.20	372.74	8.22	-52.98
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=NN1CC1=CC=C(F)C=C1	REAL300013169433	0	52	0.0	-58.79	414.50	9.99	-48.80
C[NH+](C)CC(NC(=O)NC1=CC=NN1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013169434	0	45	0.0	-61.20	372.74	8.22	-52.98
COC1=CC=C(Cl)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013169716	0	39	0.0	-58.91	329.69	5.38	-53.53
COC1=CC=C(Cl)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013169726	0	46	0.0	-55.09	371.66	7.30	-47.79
COC1=CC=C(Cl)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013169727	0	39	0.0	-58.91	329.69	5.38	-53.53
CN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013169933	0	49	0.0	-63.80	376.19	8.97	-54.83
CN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013169933	1	49	0.0	-63.98	376.14	8.95	-55.03
COC1=NC=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013170105	0	45	0.0	-52.43	353.94	4.18	-48.25
COC1=NC=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013170108	0	52	0.0	-59.31	401.49	7.11	-52.20
COC1=NC=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013170108	1	52	0.0	-59.29	401.44	7.12	-52.17
CC1=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=CC=C1C(F)(F)F	REAL300013170392	0	41	0.0	-57.23	337.56	7.16	-50.07
CC1=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=CC=C1C(F)(F)F	REAL300013170404	0	48	0.0	-52.11	377.89	9.03	-43.08
CC1=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=CC=C1C(F)(F)F	REAL300013170405	0	41	0.0	-57.23	337.56	7.16	-50.07
COC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C(C)=C1	REAL300013170670	0	49	0.0	-54.34	374.39	7.46	-46.88
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C(C)=C1	REAL300013170673	0	56	0.0	-61.38	423.13	10.43	-50.95
COC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C(C)=C1	REAL300013170673	1	56	0.0	-61.41	423.06	10.42	-50.99
CC1=C(F)C=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013170904	0	45	0.0	-51.41	351.80	8.34	-43.07
CC1=C(F)C=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013170907	0	52	0.0	-58.84	398.94	11.17	-47.67
CC1=C(F)C=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013170907	1	52	0.0	-58.77	398.90	11.16	-47.61
CC1=CC=C(I)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013171095	0	38	0.0	-58.65	332.34	7.42	-51.23
CC1=CC=C(I)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013171098	0	38	0.0	-58.65	332.34	7.42	-51.23
C[NH+](C)CC(NC(=O)NC1=CC(NS(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300013171247	0	43	0.0	-72.35	376.82	2.64	-69.71
C[NH+](C)CC(NC(=O)NC1=CC(NS(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300013171254	0	43	0.0	-72.35	376.82	2.64	-69.71
CC(C)CC(C)N1N=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013171493	0	50	0.0	-58.95	385.09	7.74	-51.21
CC(C)CC(C)N1N=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013171504	0	57	0.0	-55.84	426.75	9.50	-46.34
CC(C)CC(C)N1N=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013171505	0	50	0.0	-58.95	385.09	7.74	-51.21
COC1=CC=C(Cl)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013171921	0	39	0.0	-58.91	329.69	5.38	-53.53
COC1=CC=C(Cl)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013171931	0	46	0.0	-55.09	371.66	7.30	-47.79
COC1=CC=C(Cl)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013171932	0	39	0.0	-58.91	329.69	5.38	-53.53
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=C1Cl)OCCCO2)C(=O)[O-]	REAL300013172223	0	44	0.0	-58.51	362.45	6.04	-52.47
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC2=C(C=C1Cl)OCCCO2	REAL300013172233	0	51	0.0	-50.63	404.81	7.95	-42.68
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=C1Cl)OCCCO2)C(=O)[O-]	REAL300013172234	0	44	0.0	-58.51	362.45	6.04	-52.47
COC1=C(C)C=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C	REAL300013172494	0	45	0.0	-56.39	354.13	6.54	-49.85
COC1=C(C)C=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1C	REAL300013172504	0	52	0.0	-52.90	394.73	8.33	-44.57
COC1=C(C)C=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C	REAL300013172505	0	45	0.0	-56.39	354.13	6.54	-49.85
COC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1C	REAL300013172773	0	49	0.0	-52.98	374.66	7.69	-45.29
COC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1C	REAL300013172776	0	56	0.0	-52.62	415.83	10.02	-42.60
COC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1C	REAL300013172776	1	56	0.0	-60.71	421.73	10.50	-50.21
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=C1Cl)OCCO2)C(=O)[O-]	REAL300013173134	0	41	0.0	-58.43	344.15	5.25	-53.18
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC2=C(C=C1Cl)OCCO2	REAL300013173146	0	48	0.0	-55.08	386.71	7.16	-47.92
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=C1Cl)OCCO2)C(=O)[O-]	REAL300013173147	0	41	0.0	-58.43	344.15	5.25	-53.18
CC1=CC(N(C)C)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013173445	0	46	0.0	-57.80	355.66	6.76	-51.04
CC1=CC(N(C)C)=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013173455	0	53	0.0	-54.82	397.43	8.58	-46.24
CC1=CC(N(C)C)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013173456	0	46	0.0	-57.80	355.66	6.76	-51.04
COCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(C)=C1	REAL300013173786	0	49	0.0	-59.85	389.83	5.92	-53.93
COCCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C(C)=C1	REAL300013173798	0	56	0.0	-55.61	429.87	7.65	-47.96
COCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(C)=C1	REAL300013173799	0	49	0.0	-59.85	389.83	5.92	-53.93
CC1=CC(OC(C)C)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013174098	0	48	0.0	-57.80	374.07	7.29	-50.51
CC1=CC(OC(C)C)=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013174109	0	55	0.0	-53.55	416.64	9.21	-44.34
CC1=CC(OC(C)C)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013174110	0	48	0.0	-57.80	374.07	7.29	-50.51
CCCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(C)=C1	REAL300013174423	0	51	0.0	-59.31	399.25	8.18	-51.13
CCCCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C(C)=C1	REAL300013174435	0	58	0.0	-53.92	439.24	9.96	-43.96
CCCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(C)=C1	REAL300013174436	0	51	0.0	-59.31	399.25	8.18	-51.13
CCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(C)=C1	REAL300013174738	0	48	0.0	-57.65	377.47	7.51	-50.14
CCCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C(C)=C1	REAL300013174749	0	55	0.0	-54.34	418.13	9.16	-45.18
CCCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(C)=C1	REAL300013174750	0	48	0.0	-57.65	377.47	7.51	-50.14
CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(C)=C1	REAL300013175045	0	45	0.0	-59.52	356.26	6.60	-52.92
CCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C(C)=C1	REAL300013175055	0	52	0.0	-53.70	397.63	8.58	-45.12
CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(C)=C1	REAL300013175056	0	45	0.0	-59.52	356.26	6.60	-52.92
CCCS(=O)(=O)NC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C	REAL300013175291	0	52	0.0	-62.37	417.91	4.82	-57.55
CCCS(=O)(=O)NC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C	REAL300013175297	0	52	0.0	-62.37	417.91	4.82	-57.55
CCCC(=O)NC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C	REAL300013175519	0	51	0.0	-66.45	399.18	7.03	-59.42
CCCC(=O)NC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1C	REAL300013175531	0	58	0.0	-61.43	440.87	8.84	-52.59
CCCC(=O)NC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C	REAL300013175532	0	51	0.0	-66.45	399.18	7.03	-59.42
CCC(C)SC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(C)=C1	REAL300013175799	0	51	0.0	-56.58	400.63	9.44	-47.14
CCC(C)SC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C(C)=C1	REAL300013175809	0	58	0.0	-53.46	442.72	11.27	-42.19
CCC(C)SC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(C)=C1	REAL300013175810	0	51	0.0	-56.58	400.63	9.44	-47.14
CC1=CC(SC2CCCCC2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013176028	0	55	0.0	-57.35	424.43	10.68	-46.67
CC1=CC(SC2CCCCC2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013176035	0	55	0.0	-57.35	424.43	10.68	-46.67
CC1=C(I)C=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013176180	0	38	0.0	-56.81	327.04	7.27	-49.54
CC1=C(I)C=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013176183	0	38	0.0	-56.81	327.04	7.27	-49.54
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013176360	0	51	0.0	-57.44	401.32	7.55	-49.89
CC1=CC(N2CCSCC2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013176369	0	51	0.0	-57.44	401.32	7.55	-49.89
CC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013176623	0	47	0.0	-62.17	371.90	7.98	-54.19
CC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013176635	0	54	0.0	-56.52	414.67	9.83	-46.69
CC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013176636	0	47	0.0	-62.17	371.90	7.98	-54.19
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013176907	0	51	0.0	-54.92	404.60	9.34	-45.58
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013176917	0	58	0.0	-54.36	445.40	11.18	-43.18
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013176918	0	51	0.0	-54.92	404.60	9.34	-45.58
CC1=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=CC=C1OCC(F)(F)F	REAL300013177167	0	45	0.0	-58.95	373.50	7.10	-51.85
CC1=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=CC=C1OCC(F)(F)F	REAL300013177177	0	45	0.0	-58.95	373.50	7.10	-51.85
CC1=CC(C2=CC=CC(Cl)=C2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013177375	0	48	0.0	-57.21	394.86	10.31	-46.90
CC1=CC(C2=CC=CC(Cl)=C2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013177382	0	48	0.0	-57.21	394.86	10.31	-46.90
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013177667	0	49	0.0	-58.92	393.18	9.14	-49.78
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013177677	0	56	0.0	-56.31	434.17	11.02	-45.29
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013177678	0	49	0.0	-58.92	393.18	9.14	-49.78
CC1=CC2=C(C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-])OCO2	REAL300013177938	0	41	0.0	-63.43	329.22	5.08	-58.35
CC1=CC2=C(C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-])OCO2	REAL300013177948	0	48	0.0	-57.38	371.34	6.82	-50.56
CC1=CC2=C(C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-])OCO2	REAL300013177949	0	41	0.0	-63.43	329.22	5.08	-58.35
CC1=CC(C)=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Br	REAL300013178236	0	41	0.0	-59.90	342.13	7.53	-52.37
CC1=CC(C)=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1Br	REAL300013178246	0	48	0.0	-54.81	384.74	9.33	-45.48
CC1=CC(C)=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Br	REAL300013178247	0	41	0.0	-59.90	342.13	7.53	-52.37
CC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1Cl	REAL300013178485	0	45	0.0	-49.62	361.41	8.62	-41.00
CCC1=NN(C)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013178718	0	48	0.0	-57.36	371.36	7.37	-49.99
CCC1=NN(C)C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013178721	0	55	0.0	-55.78	413.56	9.82	-45.96
CCC1=NN(C)C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013178721	1	55	0.0	-64.33	419.49	10.29	-54.04
CC1=CC(OCC2=CC=CC=C2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013178956	0	52	0.0	-60.22	415.93	9.73	-50.49
CC1=CC(OCC2=CC=CC=C2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013178964	0	52	0.0	-60.22	415.93	9.73	-50.49
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013179195	0	47	0.0	-71.02	381.81	4.41	-66.61
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013179205	0	54	0.0	-59.74	424.42	6.38	-53.36
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013179206	0	47	0.0	-71.02	381.81	4.41	-66.61
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(C)=C1S(=O)(=O)NC1CC1	REAL300013179389	0	53	0.0	-60.71	417.45	5.13	-55.58
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(C)=C1S(=O)(=O)NC1CC1	REAL300013179392	0	53	0.0	-60.71	417.45	5.13	-55.58
CC1=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=CC=C1S(=O)(=O)NC1CC1	REAL300013179534	0	50	0.0	-63.25	406.05	4.34	-58.91
CC1=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=CC=C1S(=O)(=O)NC1CC1	REAL300013179540	0	50	0.0	-63.25	406.05	4.34	-58.91
CC1=C(CSC(C)C)C=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013179863	0	51	0.0	-56.78	406.37	9.67	-47.11
CC1=C(CSC(C)C)C=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013179873	0	58	0.0	-53.23	446.74	11.44	-41.79
CC1=C(CSC(C)C)C=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013179874	0	51	0.0	-56.78	406.37	9.67	-47.11
CCOC1=CC=C(Cl)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013180164	0	42	0.0	-58.45	350.94	6.33	-52.12
CCOC1=CC=C(Cl)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013180176	0	49	0.0	-51.07	393.06	8.30	-42.77
CCOC1=CC=C(Cl)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013180177	0	42	0.0	-58.45	350.94	6.33	-52.12
CC1=CC(Cl)=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C	REAL300013180471	0	41	0.0	-55.21	339.30	7.31	-47.90
CC1=CC(Cl)=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1C	REAL300013180481	0	48	0.0	-49.47	380.13	9.28	-40.19
CC1=CC(Cl)=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C	REAL300013180482	0	41	0.0	-55.21	339.30	7.31	-47.90
COC1=CC(C)=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C	REAL300013180772	0	45	0.0	-59.97	354.11	6.34	-53.63
COC1=CC(C)=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1C	REAL300013180782	0	52	0.0	-54.96	394.45	8.20	-46.76
COC1=CC(C)=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C	REAL300013180783	0	45	0.0	-59.97	354.11	6.34	-53.63
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C(Cl)C(OC)=C1	REAL300013181089	0	43	0.0	-58.67	359.35	4.79	-53.88
COC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C(Cl)C(OC)=C1	REAL300013181101	0	50	0.0	-55.26	400.78	6.63	-48.63
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C(Cl)C(OC)=C1	REAL300013181102	0	43	0.0	-58.67	359.35	4.79	-53.88
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(Cl)=C1C	REAL300013181377	0	41	0.0	-54.67	335.34	7.25	-47.42
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C(Cl)=C1C	REAL300013181387	0	48	0.0	-50.23	378.52	9.16	-41.07
CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(Cl)=C1C	REAL300013181388	0	41	0.0	-54.67	335.34	7.25	-47.42
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C(C)C=C1C	REAL300013181678	0	45	0.0	-59.55	352.88	6.39	-53.16
COC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C(C)C=C1C	REAL300013181688	0	52	0.0	-52.65	395.24	8.29	-44.36
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C(C)C=C1C	REAL300013181689	0	45	0.0	-59.55	352.88	6.39	-53.16
COC1=CC(Cl)=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C	REAL300013182006	0	42	0.0	-56.26	349.54	6.07	-50.19
COC1=CC(Cl)=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1C	REAL300013182018	0	49	0.0	-52.05	391.14	7.96	-44.09
COC1=CC(Cl)=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C	REAL300013182019	0	42	0.0	-56.26	349.54	6.07	-50.19
CC1=CC=C(N2CCOCC2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013182319	0	51	0.0	-61.10	387.92	5.15	-55.95
CC1=CC=C(N2CCOCC2)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013182331	0	58	0.0	-56.01	429.27	6.99	-49.02
CC1=CC=C(N2CCOCC2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013182332	0	51	0.0	-61.10	387.92	5.15	-55.95
COC1=CC(C)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C	REAL300013182601	0	45	0.0	-57.69	352.71	6.46	-51.23
COC1=CC(C)=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1C	REAL300013182611	0	52	0.0	-54.32	394.83	8.20	-46.12
COC1=CC(C)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C	REAL300013182612	0	45	0.0	-57.69	352.71	6.46	-51.23
CN1N=C(C2CCC2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013182903	0	45	0.0	-60.08	353.83	6.71	-53.37
CN1N=C(C2CCC2)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013182913	0	52	0.0	-57.16	395.21	8.57	-48.59
CN1N=C(C2CCC2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013182914	0	45	0.0	-60.08	353.83	6.71	-53.37
CC1=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=CC=C1N(C)C	REAL300013183205	0	46	0.0	-57.77	357.74	6.29	-51.48
CC1=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=CC=C1N(C)C	REAL300013183215	0	53	0.0	-52.73	398.07	8.16	-44.57
CC1=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=CC=C1N(C)C	REAL300013183216	0	46	0.0	-57.77	357.74	6.29	-51.48
CC1=NN(CC2=CC=CC=N2)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013183522	0	47	0.0	-66.21	384.91	6.82	-59.39
CC1=NN(CC2=CC=CC=N2)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013183534	0	54	0.0	-57.50	426.32	8.69	-48.81
CC1=NN(CC2=CC=CC=N2)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013183535	0	47	0.0	-66.21	384.91	6.82	-59.39
CC(C)OC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(Cl)=C1	REAL300013183827	0	45	0.0	-55.57	371.17	7.02	-48.55
CC(C)OC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C(Cl)=C1	REAL300013183839	0	52	0.0	-50.27	412.54	8.92	-41.35
CC(C)OC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(Cl)=C1	REAL300013183840	0	45	0.0	-55.57	371.17	7.02	-48.55
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=C1Cl)CCC2)C(=O)[O-]	REAL300013184133	0	42	0.0	-53.98	345.83	8.06	-45.92
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC2=C(C=C1Cl)CCC2	REAL300013184144	0	49	0.0	-51.94	387.73	9.91	-42.03
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=C1Cl)CCC2)C(=O)[O-]	REAL300013184145	0	42	0.0	-53.98	345.83	8.06	-45.92
CSC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C	REAL300013184439	0	42	0.0	-57.02	341.61	7.32	-49.70
CSC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1C	REAL300013184449	0	49	0.0	-52.17	383.56	9.29	-42.88
CSC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C	REAL300013184450	0	42	0.0	-57.02	341.61	7.32	-49.70
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300013184576	0	56	0.0	-58.38	436.34	12.61	-45.77
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300013184576	1	56	0.0	-61.85	436.73	12.64	-49.21
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300013184577	0	58	0.0	-79.26	447.26	10.61	-68.65
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300013184577	1	58	0.0	-76.46	452.38	10.87	-65.59
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N2CCCC2C(=O)[O-])=C1	REAL300013184578	0	56	0.0	-85.34	434.66	11.86	-73.48
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N2CCCC2C(=O)[O-])=C1	REAL300013184578	1	56	0.0	-86.96	434.26	12.14	-74.82
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NCC(=O)[O-])=C1	REAL300013184579	0	49	0.0	-65.28	392.51	8.44	-56.84
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NCC(=O)[O-])=C1	REAL300013184579	1	49	0.0	-64.76	392.72	8.45	-56.31
CCC(NC(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184580	0	55	0.0	-76.41	434.31	10.30	-66.11
CCC(NC(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184580	1	55	0.0	-78.08	435.35	10.30	-67.78
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300013184581	0	58	0.0	-79.26	447.26	10.61	-68.65
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300013184581	1	58	0.0	-76.46	452.38	10.87	-65.59
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)CC(=O)[O-])=C1	REAL300013184582	0	52	0.0	-78.45	411.26	11.10	-67.35
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)CC(=O)[O-])=C1	REAL300013184582	1	52	0.0	-77.72	411.46	11.11	-66.61
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(CO)C(=O)[O-])=C1	REAL300013184583	0	53	0.0	-79.29	424.75	6.12	-73.17
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(CO)C(=O)[O-])=C1	REAL300013184583	1	53	0.0	-77.75	424.46	6.12	-71.63
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(CO)C(=O)[O-])=C1	REAL300013184584	0	53	0.0	-79.29	424.75	6.12	-73.17
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(CO)C(=O)[O-])=C1	REAL300013184584	1	53	0.0	-77.75	424.46	6.12	-71.63
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(C)C(=O)[O-])=C1	REAL300013184585	0	52	0.0	-66.75	413.63	9.22	-57.53
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(C)C(=O)[O-])=C1	REAL300013184585	1	52	0.0	-64.91	413.35	9.29	-55.62
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)CC(=O)[O-])=C1	REAL300013184586	0	52	0.0	-78.45	411.26	11.10	-67.35
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)CC(=O)[O-])=C1	REAL300013184586	1	52	0.0	-77.72	411.46	11.11	-66.61
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300013184587	0	58	0.0	-57.33	444.98	12.48	-44.85
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300013184587	1	58	0.0	-78.35	443.00	12.35	-66.00
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300013184588	0	56	0.0	-58.38	436.34	12.61	-45.77
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300013184588	1	56	0.0	-61.85	436.73	12.64	-49.21
C=CCN(CC(=O)[O-])C(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013184589	0	56	0.0	-60.73	445.86	12.64	-48.09
C=CCN(CC(=O)[O-])C(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013184589	1	56	0.0	-56.49	446.08	12.66	-43.83
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(C)(C)C(=O)[O-])=C1	REAL300013184590	0	55	0.0	-63.89	425.88	9.66	-54.23
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(C)(C)C(=O)[O-])=C1	REAL300013184590	1	55	0.0	-63.38	426.08	9.67	-53.71
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300013184591	0	58	0.0	-57.33	444.98	12.48	-44.85
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300013184591	1	58	0.0	-78.35	443.00	12.35	-66.00
CCCN(CC(=O)[O-])C(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013184592	0	58	0.0	-60.76	454.54	12.84	-47.92
CCCN(CC(=O)[O-])C(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013184592	1	58	0.0	-60.52	454.77	12.85	-47.67
CCN(CC(=O)[O-])C(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013184593	0	55	0.0	-76.64	433.04	12.08	-64.56
CCN(CC(=O)[O-])C(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013184593	1	55	0.0	-77.91	433.27	12.09	-65.82
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300013184594	0	53	0.0	-78.64	424.26	6.11	-72.53
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300013184594	1	53	0.0	-78.25	424.94	6.12	-72.13
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(C)C(=O)[O-])=C1	REAL300013184595	0	52	0.0	-66.75	413.63	9.22	-57.53
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(C)C(=O)[O-])=C1	REAL300013184595	1	52	0.0	-64.91	413.35	9.29	-55.62
CCC(C)(NC(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184596	0	58	0.0	-78.17	439.26	10.54	-67.63
CCC(C)(NC(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184596	1	58	0.0	-77.17	439.48	10.55	-66.62
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300013184597	0	52	0.0	-65.68	413.31	9.26	-56.42
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300013184597	1	52	0.0	-64.89	413.34	9.29	-55.60
CCN(CC(=O)[O-])C(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013184598	0	55	0.0	-76.64	433.04	12.08	-64.56
CCN(CC(=O)[O-])C(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013184598	1	55	0.0	-77.91	433.27	12.09	-65.82
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N[C@H](C)C(=O)[O-])=C1	REAL300013184599	0	52	0.0	-66.76	413.63	9.22	-57.54
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N[C@H](C)C(=O)[O-])=C1	REAL300013184599	1	52	0.0	-65.85	413.51	9.27	-56.58
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC2(C(=O)[O-])CC2)=C1	REAL300013184600	0	53	0.0	-86.65	419.46	10.33	-76.32
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC2(C(=O)[O-])CC2)=C1	REAL300013184600	1	53	0.0	-85.49	419.82	10.37	-75.12
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300013184601	0	56	0.0	-76.16	442.04	10.77	-65.39
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300013184601	1	56	0.0	-79.30	443.13	10.71	-68.59
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300013184602	0	56	0.0	-85.10	433.49	11.65	-73.45
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300013184602	1	56	0.0	-86.44	435.35	11.88	-74.56
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)[C@H](C)C(=O)[O-])=C1	REAL300013184603	0	55	0.0	-73.16	426.15	11.34	-61.82
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)[C@H](C)C(=O)[O-])=C1	REAL300013184603	1	55	0.0	-72.50	425.86	11.24	-61.26
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300013184604	0	56	0.0	-85.05	433.87	12.11	-72.94
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300013184604	1	56	0.0	-83.74	434.61	12.13	-71.61
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300013184605	0	56	0.0	-85.52	436.25	10.87	-74.65
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300013184605	1	56	0.0	-85.62	436.65	10.90	-74.72
C=CCC(NC(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184606	0	56	0.0	-75.96	448.19	10.79	-65.17
C=CCC(NC(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184606	1	56	0.0	-75.53	448.66	10.74	-64.79
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300013184607	0	56	0.0	-76.16	442.04	10.77	-65.39
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300013184607	1	56	0.0	-79.30	443.13	10.71	-68.59
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)C(C)C(=O)[O-])=C1	REAL300013184608	0	55	0.0	-73.12	425.66	11.23	-61.89
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)C(C)C(=O)[O-])=C1	REAL300013184608	1	55	0.0	-72.60	426.36	11.35	-61.25
CCCN(CC(=O)[O-])C(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013184609	0	58	0.0	-60.76	454.54	12.84	-47.92
CCCN(CC(=O)[O-])C(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013184609	1	58	0.0	-60.52	454.77	12.85	-47.67
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NCC(=O)[O-])=C1	REAL300013184610	0	49	0.0	-65.28	392.51	8.44	-56.84
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NCC(=O)[O-])=C1	REAL300013184610	1	49	0.0	-64.76	392.72	8.45	-56.31
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(CF)C(=O)[O-])=C1	REAL300013184611	0	52	0.0	-64.50	417.23	9.25	-55.25
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC(CF)C(=O)[O-])=C1	REAL300013184611	1	52	0.0	-63.21	416.97	9.30	-53.91
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300013184612	0	55	0.0	-71.99	425.23	11.34	-60.65
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300013184612	1	55	0.0	-71.15	425.29	11.28	-59.87
CC[C@H](NC(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184613	0	55	0.0	-76.40	434.31	10.30	-66.10
CC[C@H](NC(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184613	1	55	0.0	-75.50	434.51	10.32	-65.18
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300013184614	0	56	0.0	-85.10	433.49	11.65	-73.45
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300013184614	1	56	0.0	-86.44	435.35	11.88	-74.56
CCCC(NC(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184615	0	58	0.0	-76.39	456.38	11.10	-65.29
CCCC(NC(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184615	1	58	0.0	-77.65	456.60	11.12	-66.53
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300013184616	0	58	0.0	-78.65	446.58	10.69	-67.96
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300013184616	1	58	0.0	-77.89	446.78	10.70	-67.19
CCC[C@@H](NC(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184617	0	58	0.0	-78.36	456.40	11.11	-67.25
CCC[C@@H](NC(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184617	1	58	0.0	-78.07	456.84	11.05	-67.02
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300013184618	0	58	0.0	-84.04	440.35	12.06	-71.98
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300013184618	1	58	0.0	-81.37	440.45	12.10	-69.27
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300013184619	0	56	0.0	-85.05	433.87	12.11	-72.94
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300013184619	1	56	0.0	-83.74	434.61	12.13	-71.61
C#CCC(NC(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184620	0	54	0.0	-75.69	441.41	10.69	-65.00
C#CCC(NC(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184620	1	54	0.0	-74.72	441.61	10.71	-64.01
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)C(C)C(=O)[O-])=C1	REAL300013184621	0	55	0.0	-73.12	425.66	11.23	-61.89
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)C(C)C(=O)[O-])=C1	REAL300013184621	1	55	0.0	-72.60	426.36	11.35	-61.25
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300013184622	0	58	0.0	-75.60	449.30	10.83	-64.77
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300013184622	1	58	0.0	-74.72	449.52	10.84	-63.88
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300013184623	0	55	0.0	-71.99	425.23	11.34	-60.65
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300013184623	1	55	0.0	-71.15	425.29	11.28	-59.87
CCC[C@H](NC(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184624	0	58	0.0	-76.23	455.81	11.06	-65.17
CCC[C@H](NC(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184624	1	58	0.0	-76.00	456.84	11.06	-64.94
CCN(C(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300013184625	0	58	0.0	-71.94	442.33	12.01	-59.93
CCN(C(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300013184625	1	58	0.0	-73.09	443.04	12.13	-60.96
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013184626	0	58	0.0	-72.62	445.56	12.26	-60.36
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013184626	1	58	0.0	-71.25	446.31	12.31	-58.94
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300013184627	0	56	0.0	-88.94	433.07	12.32	-76.62
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300013184627	1	56	0.0	-88.92	433.45	12.35	-76.57
C=CCC(NC(=O)NC1=CC(C)=NN1C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184628	0	56	0.0	-75.96	448.19	10.79	-65.17
C=CCC(NC(=O)NC1=CC(C)=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013184628	1	56	0.0	-75.53	448.66	10.74	-64.79
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC2(C(=O)[O-])COC2)=C1	REAL300013184629	0	54	0.0	-78.58	427.07	7.91	-70.67
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)NC2(C(=O)[O-])COC2)=C1	REAL300013184629	1	54	0.0	-78.73	427.46	7.94	-70.79
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300013184630	0	53	0.0	-78.64	424.26	6.11	-72.53
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300013184630	1	53	0.0	-78.25	424.94	6.12	-72.13
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)[C@H](C)C(=O)[O-])=C1	REAL300013184631	0	55	0.0	-73.16	426.15	11.34	-61.82
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)N(C)[C@H](C)C(=O)[O-])=C1	REAL300013184631	1	55	0.0	-72.50	425.86	11.24	-61.26
CC(C)C1=NN(CC2=CC=CC=C2)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013184758	0	54	0.0	-60.09	428.74	9.93	-50.16
CC(C)C1=NN(CC2=CC=CC=C2)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013184766	0	54	0.0	-60.09	428.74	9.93	-50.16
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013184980	0	56	0.0	-57.29	418.98	8.28	-49.01
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013184990	0	56	0.0	-57.29	418.98	8.28	-49.01
CC1=C(COC(C)(C)C)C=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013185246	0	54	0.0	-59.66	410.54	8.25	-51.41
CC1=C(COC(C)(C)C)C=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013185258	0	61	0.0	-54.54	450.88	10.11	-44.43
CC1=C(COC(C)(C)C)C=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013185259	0	54	0.0	-59.66	410.54	8.25	-51.41
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013185534	0	53	0.0	-60.88	414.56	3.88	-57.00
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013185535	0	46	0.0	-64.75	372.35	1.94	-62.81
CN1N=C(C2=CC=C(Cl)S2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013185768	0	42	0.0	-60.98	375.52	7.43	-53.55
CN1N=C(C2=CC=C(Cl)S2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013185776	0	42	0.0	-60.98	375.52	7.43	-53.55
C=CCN(C(=O)NC1=CC=NN1CC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013185848	0	55	0.0	-75.86	427.05	11.84	-64.02
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300013185849	0	48	0.0	-74.37	402.55	8.68	-65.69
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300013185850	0	54	0.0	-84.46	432.83	10.60	-73.86
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300013185851	0	54	0.0	-78.69	410.31	8.80	-69.89
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013185852	0	51	0.0	-55.42	399.71	10.95	-44.47
CC1=CC=C(C(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1	REAL300013185853	0	48	0.0	-78.70	388.36	8.33	-70.37
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300013185854	0	41	0.0	-69.96	346.50	6.35	-63.61
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300013185855	0	51	0.0	-78.34	412.68	10.00	-68.34
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCSCC1	REAL300013185856	0	46	0.0	-77.70	358.03	7.40	-70.30
COCC(C)(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185857	0	45	0.0	-81.86	353.20	5.15	-76.71
CCOCC(C(=O)[O-])N(C)C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013185858	0	48	0.0	-71.54	373.20	6.90	-64.64
CC(C)CN(CC(=O)[O-])C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013185859	0	47	0.0	-58.42	364.90	8.68	-49.74
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013185860	0	54	0.0	-49.05	408.26	11.06	-37.99
C[NH+](C)CCN1N=CC=C1NC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300013185861	0	44	0.0	-59.10	368.38	8.54	-50.56
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCOC1	REAL300013185862	0	43	0.0	-78.94	336.47	4.00	-74.94
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300013185863	0	51	0.0	-78.08	384.54	7.80	-70.28
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=C(O)C=C1	REAL300013185864	0	46	0.0	-75.55	377.77	4.88	-70.67
CN(C(=O)NC1=CC=NN1CC[NH+](C)C)C(COC1CCC1)C(=O)[O-]	REAL300013185865	0	52	0.0	-71.51	400.36	8.28	-63.23
C[NH+](C)CCN1N=CC=C1NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1C1=CC=CC=C1	REAL300013185866	0	52	0.0	-42.35	403.47	11.12	-31.23
C=CCOCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185867	0	46	0.0	-77.06	377.29	5.44	-71.62
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCCC(O)C1C(=O)[O-]	REAL300013185868	0	46	0.0	-98.22	351.73	5.27	-92.95
C=CC(C)C(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185869	0	45	0.0	-76.15	359.64	6.70	-69.45
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300013185870	0	49	0.0	-79.84	380.84	5.64	-74.20
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300013185871	0	45	0.0	-70.49	379.46	7.87	-62.62
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300013185872	0	45	0.0	-70.70	389.59	8.23	-62.47
COC1CCN(C(=O)NC2=CC=NN2CC[NH+](C)C)C(C(=O)[O-])C1	REAL300013185873	0	49	0.0	-91.75	372.90	7.38	-84.37
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300013185874	0	49	0.0	-73.99	374.70	5.49	-68.50
CC1CCN(C(=O)NC2=CC=NN2CC[NH+](C)C)C(C(=O)[O-])C1	REAL300013185875	0	48	0.0	-90.81	354.75	8.72	-82.09
CC1=CC(C(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300013185876	0	48	0.0	-73.84	393.45	8.43	-65.41
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300013185877	0	50	0.0	-76.11	402.64	7.59	-68.52
CC1=CC(C(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])=CC(C)=C1	REAL300013185878	0	51	0.0	-79.49	409.76	8.99	-70.50
CC1=CC=C(C(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1C	REAL300013185879	0	51	0.0	-79.51	405.37	8.87	-70.64
COC1=CC=C(C(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1O	REAL300013185880	0	50	0.0	-79.69	406.63	4.83	-74.86
COC1=CC=C(C(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013185881	0	49	0.0	-73.71	412.52	7.54	-66.17
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCCCC1C(=O)[O-]	REAL300013185882	0	45	0.0	-90.50	340.48	8.41	-82.09
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013185883	0	45	0.0	-73.52	383.48	8.26	-65.26
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCSCC1C(=O)[O-]	REAL300013185884	0	43	0.0	-89.74	341.12	8.54	-81.20
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCCCC1	REAL300013185885	0	48	0.0	-81.47	360.34	7.70	-73.77
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCCC1	REAL300013185886	0	45	0.0	-83.87	345.82	6.61	-77.26
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300013185887	0	51	0.0	-82.17	365.99	8.36	-73.81
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300013185888	0	48	0.0	-80.59	388.35	8.62	-71.97
C[NH+](C)CCN1N=CC=C1NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300013185889	0	48	0.0	-58.36	387.73	10.39	-47.97
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300013185890	0	45	0.0	-78.53	366.77	7.73	-70.80
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300013185891	0	45	0.0	-78.83	366.94	7.66	-71.17
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300013185892	0	48	0.0	-80.59	388.35	8.62	-71.97
CCC(C)C(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185893	0	47	0.0	-78.30	360.40	6.53	-71.77
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCCCC1C(=O)[O-]	REAL300013185894	0	45	0.0	-90.50	340.48	8.41	-82.09
CCCC(C)(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185895	0	47	0.0	-79.73	356.45	6.62	-73.11
CC(C)CN(CC(=O)[O-])C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013185896	0	47	0.0	-58.42	364.90	8.68	-49.74
C[NH+](C)CCN1N=CC=C1NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300013185897	0	49	0.0	-89.22	379.63	10.45	-78.77
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300013185898	0	45	0.0	-81.52	344.46	6.61	-74.91
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300013185899	0	42	0.0	-76.01	357.97	6.78	-69.23
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCCCC1	REAL300013185900	0	48	0.0	-81.47	360.34	7.70	-73.77
C[NH+](C)CCN1N=CC=C1NC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300013185901	0	48	0.0	-50.18	398.40	10.63	-39.55
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300013185902	0	52	0.0	-82.28	418.05	8.74	-73.54
CC[C@H](C)[C@H](NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185903	0	47	0.0	-78.25	360.40	6.54	-71.71
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCCC1	REAL300013185904	0	45	0.0	-83.87	345.82	6.61	-77.26
C[NH+](C)CCN1N=CC=C1NC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300013185905	0	48	0.0	-50.83	388.08	10.18	-40.65
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300013185906	0	49	0.0	-80.21	384.93	8.75	-71.46
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300013185907	0	45	0.0	-79.41	377.79	7.82	-71.59
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013185908	0	48	0.0	-80.92	374.77	8.33	-72.59
CCCCCCC(C)(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185909	0	56	0.0	-80.04	420.95	8.96	-71.08
C[NH+](C)CCN1N=CC=C1NC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	REAL300013185910	0	43	0.0	-88.03	340.83	4.04	-83.99
C[NH+](C)CCN1N=CC=C1NC(=O)N(CC(=O)[O-])CC1=CC(Cl)=CC=C1O	REAL300013185911	0	49	0.0	-58.61	409.81	8.25	-50.36
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013185912	0	45	0.0	-73.52	383.48	8.26	-65.26
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCOCC1C(=O)[O-]	REAL300013185913	0	43	0.0	-88.01	332.01	5.94	-82.07
CN(C(=O)NC1=CC=NN1CC[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300013185914	0	51	0.0	-86.50	369.59	9.10	-77.40
C[NH+](C)CCN1N=CC=C1NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300013185915	0	51	0.0	-59.50	410.15	11.18	-48.32
CN(C(=O)NC1=CC=NN1CC[NH+](C)C)C(C(=O)[O-])C1=CC=CC=C1	REAL300013185916	0	48	0.0	-74.38	376.78	9.98	-64.40
COCCN(CC(=O)[O-])C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013185917	0	45	0.0	-58.56	360.13	6.58	-51.98
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300013185918	0	49	0.0	-85.62	381.67	8.63	-76.99
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300013185919	0	45	0.0	-90.56	340.40	8.31	-82.25
C[NH+](C)CCN1N=CC=C1NC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300013185920	0	43	0.0	-85.96	340.82	4.02	-81.94
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCCC1(C)C(=O)[O-]	REAL300013185921	0	45	0.0	-84.06	346.67	7.96	-76.10
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300013185922	0	52	0.0	-85.09	423.14	8.54	-76.55
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCCCCC1C(=O)[O-]	REAL300013185923	0	48	0.0	-86.09	355.77	9.23	-76.86
CCCCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185924	0	47	0.0	-75.33	373.57	7.21	-68.12
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=CC(O)=C1	REAL300013185925	0	46	0.0	-77.63	377.77	4.89	-72.74
C[NH+](C)CCN1N=CC=C1NC(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300013185926	0	51	0.0	-59.50	410.15	11.18	-48.32
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300013185927	0	45	0.0	-86.98	346.71	7.96	-79.02
CN(C(=O)NC1=CC=NN1CC[NH+](C)C)C1(C(=O)[O-])CCCCC1	REAL300013185928	0	51	0.0	-86.50	369.59	9.10	-77.40
C[NH+](C)CCN1N=CC=C1NC(=O)N(CC(=O)[O-])C1CCCC1	REAL300013185929	0	48	0.0	-52.35	365.10	8.97	-43.38
CCCCCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185930	0	50	0.0	-75.30	395.07	7.99	-67.31
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300013185931	0	47	0.0	-79.80	361.60	6.70	-73.10
CCC1CCC(NC(=O)NC2=CC=NN2CC[NH+](C)C)(C(=O)[O-])CC1	REAL300013185932	0	54	0.0	-81.38	399.41	8.93	-72.45
C[NH+](C)CCN1N=CC=C1NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300013185933	0	49	0.0	-58.71	373.53	7.28	-51.43
CN(C(=O)NC1=CC=NN1CC[NH+](C)C)C1(C(=O)[O-])CCCC1	REAL300013185934	0	48	0.0	-87.42	356.28	8.31	-79.11
CC(C(=O)[O-])N(C(=O)NC1=CC=NN1CC[NH+](C)C)C1CC1	REAL300013185935	0	45	0.0	-61.19	347.22	7.96	-53.23
CCC(C(=O)[O-])N(C(=O)NC1=CC=NN1CC[NH+](C)C)C1CC1	REAL300013185936	0	48	0.0	-54.07	367.72	9.07	-45.00
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1Cl	REAL300013185937	0	45	0.0	-81.54	378.86	8.08	-73.46
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1F	REAL300013185938	0	45	0.0	-84.73	370.58	7.76	-76.97
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300013185939	0	49	0.0	-55.79	381.92	10.07	-45.72
CC1=CC=CC(C(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])=C1C	REAL300013185940	0	51	0.0	-77.04	399.83	8.78	-68.26
COC1=CC=C(C(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1F	REAL300013185941	0	49	0.0	-73.44	402.47	7.13	-66.31
COCC(C(=O)[O-])N(C(=O)NC1=CC=NN1CC[NH+](C)C)C1CC1	REAL300013185942	0	49	0.0	-59.95	377.77	7.41	-52.54
CC(C(=O)[O-])N(C(=O)NC1=CC=NN1CC[NH+](C)C)C1CCC1	REAL300013185943	0	48	0.0	-56.29	362.63	8.43	-47.86
CCCN(C(=O)NC1=CC=NN1CC[NH+](C)C)C(COC)C(=O)[O-]	REAL300013185944	0	51	0.0	-73.63	388.05	7.74	-65.89
CCCN(C(=O)NC1=CC=NN1CC[NH+](C)C)C(CC)C(=O)[O-]	REAL300013185945	0	50	0.0	-72.00	377.03	9.13	-62.87
CC(C)C[C@H](NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185946	0	47	0.0	-75.98	369.54	6.89	-69.09
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCOCC1	REAL300013185947	0	46	0.0	-80.56	351.75	5.20	-75.36
C=CCCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185948	0	45	0.0	-75.62	365.12	6.92	-68.70
CCC(CC)(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185949	0	47	0.0	-80.89	351.63	6.73	-74.16
COC1=CC=C(C(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1	REAL300013185950	0	49	0.0	-77.05	396.49	6.95	-70.10
CCC(COC)(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185951	0	48	0.0	-83.14	369.64	6.04	-77.10
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1	REAL300013185952	0	48	0.0	-83.58	376.80	3.68	-79.90
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1CC1)C(=O)[O-]	REAL300013185953	0	45	0.0	-77.47	361.59	7.17	-70.30
COCCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185954	0	45	0.0	-75.27	364.25	4.72	-70.55
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC(F)F)C(=O)[O-]	REAL300013185955	0	41	0.0	-69.97	341.19	6.16	-63.81
CCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013185956	0	51	0.0	-77.15	408.48	9.74	-67.41
CCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300013185957	0	51	0.0	-81.85	391.69	9.20	-72.65
COC1CCCC(C(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])C1	REAL300013185958	0	55	0.0	-82.06	417.03	6.80	-75.26
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CCF)C(=O)[O-]	REAL300013185959	0	41	0.0	-74.13	337.16	5.78	-68.35
COC1(CC(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])CCC1	REAL300013185960	0	52	0.0	-78.17	402.29	6.67	-71.50
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)NC2=CC=NN2CC[NH+](C)C)=C1	REAL300013185961	0	52	0.0	-74.15	403.41	8.54	-65.61
C[NH+](C)CCN1N=CC=C1NC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300013185962	0	49	0.0	-58.71	373.53	7.28	-51.43
C[NH+](C)CCN1N=CC=C1NC(=O)N(CC(=O)[O-])C1CCCCC1	REAL300013185963	0	51	0.0	-52.28	382.47	9.66	-42.62
C[C@H]1CC[C@@](NC(=O)NC2=CC=NN2CC[NH+](C)C)(C(=O)[O-])CC1	REAL300013185964	0	51	0.0	-84.48	374.14	8.07	-76.41
COC1=CC=CC(C(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])=C1	REAL300013185965	0	49	0.0	-79.48	396.26	7.03	-72.45
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C)(CCF)C(=O)[O-]	REAL300013185966	0	44	0.0	-76.46	341.54	5.99	-70.47
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300013185967	0	46	0.0	-58.62	364.35	8.26	-50.36
COC1=CC=CC([C@H](NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])=C1	REAL300013185968	0	49	0.0	-81.05	395.85	7.00	-74.05
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2=CC=NN2CC[NH+](C)C)C1	REAL300013185969	0	51	0.0	-88.81	395.32	8.98	-79.83
COC1=CC=CC(CC(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])=C1	REAL300013185970	0	52	0.0	-78.06	418.45	7.96	-70.10
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300013185971	0	54	0.0	-86.20	388.25	8.57	-77.63
C[NH+](C)CCN1N=CC=C1NC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300013185972	0	43	0.0	-93.89	336.88	8.02	-85.87
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300013185973	0	51	0.0	-79.58	409.11	9.22	-70.36
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300013185974	0	50	0.0	-85.27	403.01	9.03	-76.24
COC1CN(C(=O)NC2=CC=NN2CC[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300013185975	0	49	0.0	-87.49	379.89	6.94	-80.55
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300013185976	0	52	0.0	-77.03	397.74	7.17	-69.86
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300013185977	0	47	0.0	-79.80	361.60	6.70	-73.10
C=C(Cl)CC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185978	0	42	0.0	-70.56	359.04	6.76	-63.80
C=C(C)CC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185979	0	45	0.0	-76.23	363.71	6.97	-69.26
C[NH+](C)CCN1N=CC=C1NC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300013185980	0	46	0.0	-94.59	349.39	8.82	-85.77
C[NH+](C)CCN1N=CC=C1NC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	REAL300013185981	0	43	0.0	-86.74	341.59	3.80	-82.94
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013185982	0	51	0.0	-80.32	398.79	8.77	-71.55
C[NH+](C)CCN1N=CC=C1NC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300013185983	0	42	0.0	-79.44	342.54	7.58	-71.86
C[NH+](C)CCN1N=CC=C1NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300013185984	0	42	0.0	-81.48	336.06	7.49	-73.99
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2=CC=NN2CC[NH+](C)C)C1	REAL300013185985	0	43	0.0	-87.99	345.10	7.53	-80.46
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300013185986	0	52	0.0	-80.25	402.28	6.42	-73.83
CC(C)C[C@H](NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185987	0	47	0.0	-75.98	369.54	6.89	-69.09
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300013185988	0	49	0.0	-79.84	380.84	5.64	-74.20
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300013185989	0	45	0.0	-78.83	366.94	7.66	-71.17
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013185990	0	48	0.0	-78.49	405.46	8.72	-69.77
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1CC1)C(=O)[O-]	REAL300013185991	0	45	0.0	-77.47	361.59	7.17	-70.30
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CN=CS1)C(=O)[O-]	REAL300013185992	0	44	0.0	-76.19	374.96	5.79	-70.40
CC(C)CCCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185993	0	53	0.0	-75.72	412.88	8.44	-67.28
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300013185994	0	51	0.0	-74.81	419.11	9.00	-65.81
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300013185995	0	49	0.0	-80.65	387.01	5.99	-74.66
CSCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185996	0	42	0.0	-72.90	354.27	6.02	-66.88
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013185997	0	48	0.0	-79.36	395.67	8.68	-70.68
CCC(C)CC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185998	0	50	0.0	-75.89	387.75	7.53	-68.36
C=CCCCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013185999	0	48	0.0	-75.45	386.38	7.77	-67.68
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013186000	0	48	0.0	-79.36	395.59	8.68	-70.68
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300013186001	0	51	0.0	-80.91	407.88	9.82	-71.09
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCSCC1C(=O)[O-]	REAL300013186002	0	43	0.0	-89.74	341.12	8.54	-81.20
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013186003	0	48	0.0	-80.92	374.77	8.33	-72.59
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	REAL300013186004	0	46	0.0	-95.06	351.16	8.86	-86.20
CCN(C(=O)NC1=CC=NN1CC[NH+](C)C)C(C)(C)C(=O)[O-]	REAL300013186005	0	47	0.0	-81.75	355.49	8.26	-73.49
CCCN(C(=O)NC1=CC=NN1CC[NH+](C)C)C(C)C(=O)[O-]	REAL300013186006	0	47	0.0	-72.00	360.54	8.22	-63.78
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCOC2=CC=CC=C2C1C(=O)[O-]	REAL300013186007	0	50	0.0	-77.03	383.53	8.67	-68.36
C[NH+](C)CCN1N=CC=C1NC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-]	REAL300013186008	0	46	0.0	-53.47	352.29	8.45	-45.02
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@@H](C(=O)[O-])C1=CC=CC=C1	REAL300013186009	0	45	0.0	-78.53	366.77	7.73	-70.80
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300013186010	0	48	0.0	-74.99	405.69	8.66	-66.33
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@@H](CC1=CNC=N1)C(=O)[O-]	REAL300013186011	0	45	0.0	-88.43	370.46	6.04	-82.39
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@@H](CC1=CN=CN1)C(=O)[O-]	REAL300013186011	1	45	0.0	-76.80	369.82	6.07	-70.73
CCC(C)CC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186013	0	50	0.0	-75.89	387.75	7.53	-68.36
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013186014	0	51	0.0	-44.67	399.31	11.23	-33.44
CC(C)=CCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186015	0	48	0.0	-75.41	382.22	7.44	-67.97
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300013186016	0	47	0.0	-77.60	384.36	6.85	-70.75
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013186017	0	51	0.0	-71.49	394.09	7.74	-63.75
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013186018	0	50	0.0	-72.46	380.98	9.02	-63.44
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=CC=N1	REAL300013186019	0	44	0.0	-78.61	363.35	6.09	-72.52
CCCC1(C(=O)[O-])CCCN1C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013186020	0	51	0.0	-85.55	384.08	9.79	-75.76
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013186021	0	51	0.0	-43.62	397.10	11.16	-32.46
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300013186024	0	47	0.0	-77.60	384.36	6.85	-70.75
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=CN=C1	REAL300013186025	0	44	0.0	-74.42	361.88	5.87	-68.55
COCC1(C(=O)[O-])CCCN1C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013186026	0	49	0.0	-85.75	375.59	8.13	-77.62
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013186027	0	49	0.0	-47.36	383.01	10.49	-36.87
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2=CC=NN2CC[NH+](C)C)[C@H]1C(=O)[O-]	REAL300013186028	0	52	0.0	-61.90	393.98	10.73	-51.17
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300013186029	0	50	0.0	-78.28	407.10	7.62	-70.66
C=CCCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186030	0	45	0.0	-75.62	365.12	6.92	-68.70
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300013186031	0	44	0.0	-79.09	375.77	5.60	-73.49
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300013186032	0	45	0.0	-72.55	395.30	7.43	-65.12
CC#CCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186033	0	43	0.0	-74.77	358.91	6.94	-67.83
CN1CC(C(=O)[O-])N(C(=O)NC2=CC=NN2CC[NH+](C)C)CC1=O	REAL300013186034	0	46	0.0	-80.65	357.51	6.58	-74.07
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300013186035	0	45	0.0	-84.11	346.68	7.96	-76.15
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@H](C(=O)[O-])C1=CC=CC=C1	REAL300013186036	0	45	0.0	-78.80	366.94	7.66	-71.14
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C)(CN1C=CC=N1)C(=O)[O-]	REAL300013186037	0	48	0.0	-79.13	380.77	6.95	-72.18
C[NH+](C)CCN1N=CC=C1NC(=O)N(CC(=O)[O-])C1CCCC1	REAL300013186038	0	48	0.0	-52.35	365.10	8.97	-43.38
CC[C@H](C)[C@H](NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186039	0	47	0.0	-78.25	360.40	6.54	-71.71
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CC(CO)C1	REAL300013186040	0	46	0.0	-88.44	362.49	3.37	-85.07
CCN(C(=O)NC1=CC=NN1CC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013186041	0	54	0.0	-77.79	415.38	11.42	-66.37
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186042	0	54	0.0	-76.01	411.28	6.76	-69.25
CC1CCC(NC(=O)NC2=CC=NN2CC[NH+](C)C)(C(=O)[O-])C1	REAL300013186043	0	48	0.0	-81.83	366.99	7.20	-74.63
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCCC1(C)C	REAL300013186044	0	51	0.0	-85.12	374.69	7.83	-77.29
COCCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186045	0	45	0.0	-75.27	364.25	4.72	-70.55
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300013186046	0	48	0.0	-84.03	368.37	7.89	-76.14
CC1CCC(NC(=O)NC2=CC=NN2CC[NH+](C)C)(C(=O)[O-])C2=CC=CC=C21	REAL300013186047	0	55	0.0	-85.43	415.97	9.93	-75.50
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1(C)CC1	REAL300013186048	0	45	0.0	-77.47	352.27	6.94	-70.53
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186049	0	54	0.0	-77.12	414.85	6.83	-70.29
C[NH+](C)CCN1N=CC=C1NC(=O)N1CC[C@H](O)[C@@H]1C(=O)[O-]	REAL300013186050	0	43	0.0	-91.02	341.54	3.98	-87.04
C[NH+](C)CCN1N=CC=C1NC(=O)N1CC2(CC2)C2=CC=CC=C2C1C(=O)[O-]	REAL300013186051	0	53	0.0	-61.44	409.16	11.22	-50.22
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1CCOC1	REAL300013186052	0	46	0.0	-75.40	360.92	4.63	-70.77
C[NH+](C)CCN1N=CC=C1NC(=O)N1CC[C@@H]2CC[C@@]21C(=O)[O-]	REAL300013186053	0	46	0.0	-92.87	351.38	8.51	-84.36
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300013186054	0	49	0.0	-85.30	398.65	7.80	-77.50
C[NH+](C)CCN1N=CC=C1NC(=O)N1CC2CC1(C(=O)[O-])CO2	REAL300013186055	0	44	0.0	-88.96	343.73	6.27	-82.69
CC1CCC(C(=O)[O-])N(C(=O)NC2=CC=NN2CC[NH+](C)C)C1	REAL300013186056	0	48	0.0	-91.61	361.78	9.18	-82.43
CC(C1=CC=CC=C1)C(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186057	0	51	0.0	-78.45	404.14	8.92	-69.53
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300013186058	0	52	0.0	-78.47	402.67	8.75	-69.72
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1CCC1	REAL300013186059	0	45	0.0	-78.47	355.69	6.65	-71.82
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CC(C)(C)OC(C)(C)C1	REAL300013186060	0	58	0.0	-79.72	424.21	8.28	-71.44
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300013186061	0	51	0.0	-78.08	384.54	7.80	-70.28
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1CCC1	REAL300013186062	0	45	0.0	-78.47	355.69	6.65	-71.82
CC1CCN(C(=O)NC2=CC=NN2CC[NH+](C)C)C1C(=O)[O-]	REAL300013186063	0	45	0.0	-87.42	343.33	7.95	-79.47
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1CCCCO1)C(=O)[O-]	REAL300013186064	0	52	0.0	-82.00	404.19	6.80	-75.20
C[NH+](C)CCN1N=CC=C1NC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	REAL300013186065	0	52	0.0	-44.61	377.07	9.22	-35.39
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCOC(C)(C)C1	REAL300013186066	0	52	0.0	-84.56	380.87	6.51	-78.05
CC1=CC=CC2=C1CCN(C(=O)NC1=CC=NN1CC[NH+](C)C)C2C(=O)[O-]	REAL300013186067	0	52	0.0	-60.36	399.52	10.62	-49.74
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1CC=CCC1)C(=O)[O-]	REAL300013186068	0	52	0.0	-78.47	402.67	8.75	-69.72
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300013186069	0	48	0.0	-80.24	395.42	8.73	-71.51
COC1CC(NC(=O)NC2=CC=NN2CC[NH+](C)C)(C(=O)[O-])C1	REAL300013186070	0	46	0.0	-81.79	364.24	5.42	-76.37
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CC(F)(F)C1	REAL300013186071	0	42	0.0	-83.93	340.53	6.20	-77.73
CO[C@H]1C[C@](NC(=O)NC2=CC=NN2CC[NH+](C)C)(C(=O)[O-])C1	REAL300013186072	0	46	0.0	-79.05	363.39	5.06	-73.99
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1(C(F)(F)F)CC1	REAL300013186073	0	45	0.0	-78.46	368.71	7.34	-71.12
CCC1(C(=O)[O-])CCCN1C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013186074	0	48	0.0	-87.05	359.96	9.19	-77.86
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300013186075	0	41	0.0	-69.96	346.50	6.35	-63.61
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300013186076	0	49	0.0	-77.13	382.50	5.33	-71.80
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CC=CS1)C(=O)[O-]	REAL300013186077	0	45	0.0	-74.52	381.43	7.58	-66.94
COCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300013186078	0	52	0.0	-79.24	407.78	7.52	-71.72
CC(C)C(C)(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186079	0	47	0.0	-80.91	351.68	6.55	-74.36
C[NH+](C)CCN1N=CC=C1NC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300013186080	0	43	0.0	-92.05	336.85	8.57	-83.48
C[NH+](C)CCN1N=CC=C1NC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)[O-]	REAL300013186081	0	46	0.0	-87.13	352.78	8.09	-79.04
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013186082	0	51	0.0	-43.62	397.10	11.16	-32.46
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300013186083	0	54	0.0	-78.69	410.31	8.80	-69.89
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300013186084	0	51	0.0	-79.19	411.39	9.40	-69.79
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@H](CCC1=CC=CC=C1)C(=O)[O-]	REAL300013186085	0	51	0.0	-79.63	412.24	9.38	-70.25
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1CC2CCC1C2	REAL300013186086	0	52	0.0	-76.52	391.26	8.25	-68.27
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	REAL300013186087	0	54	0.0	-76.09	410.93	8.88	-67.21
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	REAL300013186088	0	54	0.0	-78.71	410.33	8.80	-69.91
C[NH+](C)CCN1N=CC=C1NC(=O)N1CC2(CCCC2)CC1C(=O)[O-]	REAL300013186089	0	52	0.0	-46.63	391.35	9.38	-37.25
C[NH+](C)CCN1N=CC=C1NC(=O)N1C[C@H]2CCCC[C@H]2[C@@H]1C(=O)[O-]	REAL300013186090	0	52	0.0	-87.11	389.44	9.38	-77.73
COC1=CC=C(CC(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1	REAL300013186091	0	52	0.0	-79.61	417.85	7.93	-71.68
C=CCSCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186092	0	46	0.0	-72.66	388.55	7.45	-65.21
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300013186093	0	49	0.0	-80.83	410.00	8.99	-71.84
CCC(C(=O)[O-])N(CC)C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013186094	0	47	0.0	-71.47	355.53	8.40	-63.07
COC1(C(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])CCC1	REAL300013186095	0	49	0.0	-74.48	377.75	5.21	-69.27
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCC(C(F)F)CC1	REAL300013186096	0	51	0.0	-77.78	391.95	8.49	-69.29
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCC2=CC=CC=C2C1	REAL300013186097	0	52	0.0	-84.62	398.29	9.62	-75.00
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CC(C(F)F)C1	REAL300013186098	0	45	0.0	-77.66	362.01	6.92	-70.74
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300013186100	0	57	0.0	-76.27	442.96	10.06	-66.21
CC(C)C1=CC=C(C(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1	REAL300013186101	0	54	0.0	-76.57	427.19	9.58	-66.99
C[NH+](C)CCN1N=CC=C1NC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300013186102	0	42	0.0	-81.48	336.06	7.49	-73.99
C[NH+](C)CCN1N=CC=C1NC(=O)N1C2C=CC(C2)C1C(=O)[O-]	REAL300013186103	0	44	0.0	-53.16	345.12	8.26	-44.90
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(C)(C)C1C(=O)[O-]	REAL300013186104	0	48	0.0	-86.93	365.71	8.14	-78.79
CCOC1=CC=C(C(NC(=O)NC2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1	REAL300013186105	0	52	0.0	-76.90	418.32	7.87	-69.03
C[NH+](C)CCN1N=CC=C1NC(=O)N1CC2(CCC2)CCC1C(=O)[O-]	REAL300013186106	0	52	0.0	-91.75	385.64	10.02	-81.73
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300013186107	0	52	0.0	-81.35	401.70	9.19	-72.16
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C)(COC1=CC=CC=C1)C(=O)[O-]	REAL300013186108	0	52	0.0	-86.00	409.41	8.59	-77.41
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@@H](CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300013186109	0	48	0.0	-84.85	403.21	8.59	-76.26
CC(C)CCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186110	0	50	0.0	-75.88	391.38	7.66	-68.22
C[NH+](C)CCN1N=CC=C1NC(=O)N1CC2(CCC2)CC1C(=O)[O-]	REAL300013186111	0	49	0.0	-47.33	376.47	8.92	-38.41
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1CCOC1)C(=O)[O-]	REAL300013186112	0	49	0.0	-77.13	382.50	5.33	-71.80
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2=CC=NN2CC[NH+](C)C)C1	REAL300013186113	0	46	0.0	-85.34	372.62	8.56	-76.78
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCCC2CC21	REAL300013186114	0	49	0.0	-83.60	366.04	8.34	-75.26
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCC2CC21	REAL300013186115	0	46	0.0	-85.80	353.27	7.43	-78.37
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CC2(CCC2)C1	REAL300013186116	0	49	0.0	-84.17	380.66	8.03	-76.14
C[NH+](C)CCN1N=CC=C1NC(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300013186117	0	55	0.0	-47.41	405.65	9.87	-37.54
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1CCCC1	REAL300013186118	0	48	0.0	-77.25	367.02	7.11	-70.14
CO[C@H](C)[C@H](NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186119	0	45	0.0	-78.40	360.33	4.84	-73.56
CC1[C@@H](C)[C@@]1(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186120	0	45	0.0	-82.23	345.10	6.73	-75.50
C[NH+](C)CCN1N=CC=C1NC(=O)N(CC(=O)[O-])CC1=CC=CC=C1	REAL300013186121	0	48	0.0	-58.36	387.73	10.39	-47.97
C[NH+](C)CCN1N=CC=C1NC(=O)N1CC(C)(C)CC1C(=O)[O-]	REAL300013186122	0	48	0.0	-47.52	369.41	8.22	-39.30
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC2=C(C=CC(F)=C2F)C1C(=O)[O-]	REAL300013186123	0	49	0.0	-85.88	388.50	10.46	-75.42
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(F)(F)CC1C(=O)[O-]	REAL300013186124	0	45	0.0	-89.31	351.79	8.45	-80.86
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(F)(F)C1C(=O)[O-]	REAL300013186125	0	42	0.0	-91.05	341.25	7.55	-83.50
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300013186126	0	48	0.0	-80.24	395.42	8.73	-71.51
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300013186127	0	45	0.0	-79.91	380.07	7.50	-72.41
C[NH+](C)CCN1N=CC=C1NC(=O)N1CC(F)(F)CC1(C)C(=O)[O-]	REAL300013186128	0	45	0.0	-79.18	358.75	8.09	-71.09
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CC2(CC(F)(F)C2)C1	REAL300013186129	0	49	0.0	-86.27	393.87	8.24	-78.03
C[NH+](C)CCN1N=CC=C1NC(=O)N1C[C@@H](OC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300013186130	0	53	0.0	-85.58	417.90	9.88	-75.70
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CSC=C1)C(=O)[O-]	REAL300013186131	0	45	0.0	-79.91	380.07	7.50	-72.41
C[NH+](C)CCN1N=CC=C1NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300013186132	0	49	0.0	-87.49	367.38	8.59	-78.90
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@@H](C(=O)[O-])C1=CC=C(O)C=C1	REAL300013186133	0	46	0.0	-75.63	377.77	4.90	-70.73
COCCCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186134	0	48	0.0	-75.33	385.99	5.41	-69.92
CCCC(C(=O)[O-])N(C)C(=O)NC1=CC=NN1CC[NH+](C)C	REAL300013186135	0	47	0.0	-70.96	363.28	8.40	-62.56
CCOCC(NC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013186136	0	45	0.0	-76.60	364.39	4.84	-71.76
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC(C)(C)C)C(=O)[O-]	REAL300013186137	0	50	0.0	-78.71	380.78	8.01	-70.70
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C1CCCCO1	REAL300013186138	0	49	0.0	-80.98	382.06	6.15	-74.83
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300013186139	0	49	0.0	-80.21	384.93	8.75	-71.46
C[C@H]1OCCN(C(=O)NC2=CC=NN2CC[NH+](C)C)[C@@H]1C(=O)[O-]	REAL300013186140	0	46	0.0	-89.64	352.30	6.92	-82.72
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(=O)[O-]	REAL300013186141	0	48	0.0	-58.92	372.19	8.45	-50.47
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CCC#N)C(=O)[O-]	REAL300013186142	0	42	0.0	-76.94	351.40	6.15	-70.79
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300013186143	0	59	0.0	-80.80	423.37	9.70	-71.10
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=COC2=CC=CC=C12)C(=O)[O-]	REAL300013186144	0	51	0.0	-83.93	413.73	8.99	-74.94
C[NH+](C)CCN1N=CC=C1NC(=O)N(CC(=O)[O-])CC1=CC=CO1	REAL300013186145	0	45	0.0	-59.52	369.40	8.55	-50.97
C[NH+](C)CCN1N=CC=C1NC(=O)N1CC2(CCOCC2)CCC1C(=O)[O-]	REAL300013186146	0	56	0.0	-89.32	403.10	8.86	-80.46
C[NH+](C)CCN1N=CC=C1NC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300013186147	0	47	0.0	-72.94	400.74	7.30	-65.64
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2=CC=NN2CC[NH+](C)C)C1	REAL300013186148	0	49	0.0	-88.10	384.66	7.39	-80.71
CSC1=CC=C(C)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013186313	0	42	0.0	-59.81	345.09	7.40	-52.41
CSC1=CC=C(C)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013186323	0	49	0.0	-56.44	385.48	9.17	-47.27
CSC1=CC=C(C)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013186324	0	42	0.0	-59.81	345.09	7.40	-52.41
CN1N=C(C2CCCOC2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013186627	0	49	0.0	-59.42	380.61	5.62	-53.80
CN1N=C(C2CCCOC2)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013186639	0	56	0.0	-56.96	422.11	7.42	-49.54
CN1N=C(C2CCCOC2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013186640	0	49	0.0	-59.42	380.61	5.62	-53.80
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013186935	0	48	0.0	-62.28	378.98	7.27	-55.01
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013186947	0	55	0.0	-58.59	420.91	9.14	-49.45
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013186948	0	48	0.0	-62.28	378.98	7.27	-55.01
CN1N=C(C2=CC(F)=CC(F)=C2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013187221	0	45	0.0	-59.86	378.22	7.89	-51.97
CN1N=C(C2=CC(F)=CC(F)=C2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013187230	0	45	0.0	-59.86	378.22	7.89	-51.97
CN1N=C(C2=CC=C(F)C=C2F)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013187442	0	45	0.0	-62.98	375.79	7.77	-55.21
CN1N=C(C2=CC=C(F)C=C2F)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013187451	0	45	0.0	-62.98	375.79	7.77	-55.21
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013187701	0	47	0.0	-66.16	373.10	7.98	-58.18
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013187713	0	54	0.0	-57.95	414.47	9.82	-48.13
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013187714	0	47	0.0	-66.16	373.10	7.98	-58.18
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013187995	0	48	0.0	-64.25	391.24	7.45	-56.80
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013188007	0	55	0.0	-61.30	432.29	9.32	-51.98
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013188008	0	48	0.0	-64.25	391.24	7.45	-56.80
CC1=CC=C(C2=CC=C(C)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)O1	REAL300013188292	0	48	0.0	-67.34	385.51	8.83	-58.51
CC1=CC=C(C2=CC=C(C)C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C2)O1	REAL300013188304	0	55	0.0	-56.49	427.28	10.78	-45.71
CC1=CC=C(C2=CC=C(C)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)O1	REAL300013188305	0	48	0.0	-67.34	385.51	8.83	-58.51
COC1=CC=C(C2=CC=C(C)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)C=N1	REAL300013188612	0	51	0.0	-64.31	404.67	6.47	-57.84
COC1=CC=C(C2=CC=C(C)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)C=N1	REAL300013188620	0	51	0.0	-64.31	404.67	6.47	-57.84
CC1=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=CC=C1S(=O)(=O)N(C)C	REAL300013188938	0	49	0.0	-64.58	385.68	4.20	-60.38
CC1=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=CC=C1S(=O)(=O)N(C)C	REAL300013188946	0	49	0.0	-64.58	385.68	4.20	-60.38
CNS(=O)(=O)C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C	REAL300013189177	0	46	0.0	-65.03	374.33	2.62	-62.41
CNS(=O)(=O)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1C	REAL300013189187	0	53	0.0	-60.74	416.02	4.46	-56.28
CNS(=O)(=O)C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C	REAL300013189188	0	46	0.0	-65.03	374.33	2.62	-62.41
CCCC1=NN(C)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013189426	0	51	0.0	-56.93	392.50	8.16	-48.77
CCCC1=NN(C)C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013189429	0	58	0.0	-64.10	441.04	11.09	-53.01
CCCC1=NN(C)C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013189429	1	58	0.0	-55.60	435.01	10.59	-45.01
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=C1Cl)OCO2)C(=O)[O-]	REAL300013189731	0	38	0.0	-55.82	327.27	4.82	-51.00
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC2=C(C=C1Cl)OCO2	REAL300013189743	0	45	0.0	-54.29	368.24	6.66	-47.63
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=C1Cl)OCO2)C(=O)[O-]	REAL300013189744	0	38	0.0	-55.82	327.27	4.82	-51.00
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C(Cl)C=C1Br	REAL300013189961	0	39	0.0	-53.18	349.50	6.08	-47.10
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C(Cl)C=C1Br	REAL300013189964	0	39	0.0	-53.18	349.50	6.08	-47.10
CC1=CC(N2CCCCCC2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013190144	0	56	0.0	-60.20	409.37	8.00	-52.20
CC1=CC(N2CCCCCC2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013190154	0	56	0.0	-60.20	409.37	8.00	-52.20
C[NH+](C)CC(NC(=O)NC1=CC(C2=CC=CC=C2)=CC=C1Cl)C(=O)[O-]	REAL300013190391	0	45	0.0	-57.96	374.93	9.48	-48.48
C[NH+](C)CC(NC(=O)NC1=CC(C2=CC=CC=C2)=CC=C1Cl)C(=O)[O-]	REAL300013190401	0	45	0.0	-57.96	374.93	9.48	-48.48
C[NH+](C)CC(NC(=O)NC1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300013190652	0	45	0.0	-58.76	356.31	7.19	-51.57
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=NN1CC1CCC1	REAL300013190662	0	52	0.0	-56.64	396.16	8.99	-47.65
C[NH+](C)CC(NC(=O)NC1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300013190663	0	45	0.0	-58.76	356.31	7.19	-51.57
COC1=CC(C)=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013190956	0	42	0.0	-66.09	338.82	5.65	-60.44
COC1=CC(C)=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1F	REAL300013190966	0	49	0.0	-55.40	381.16	7.66	-47.74
COC1=CC(C)=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1F	REAL300013190967	0	42	0.0	-66.09	338.82	5.65	-60.44
CSC1=CC=C(Cl)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013191282	0	39	0.0	-58.62	340.38	7.12	-51.50
CSC1=CC=C(Cl)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013191294	0	46	0.0	-55.18	382.72	9.01	-46.17
CSC1=CC=C(Cl)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013191295	0	39	0.0	-58.62	340.38	7.12	-51.50
CN1N=C(C2CCCO2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013191604	0	46	0.0	-62.16	364.17	5.14	-57.02
CN1N=C(C2CCCO2)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013191615	0	53	0.0	-60.29	406.06	6.94	-53.35
CN1N=C(C2CCCO2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013191616	0	46	0.0	-62.16	364.17	5.14	-57.02
C=CCN1N=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013191934	0	45	0.0	-63.80	369.92	6.96	-56.84
C=CCN1N=CC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C21	REAL300013191946	0	52	0.0	-55.66	412.05	8.74	-46.92
C=CCN1N=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013191947	0	45	0.0	-63.80	369.92	6.96	-56.84
C[NH+](C)CC(NC(=O)NC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300013192224	0	38	0.0	-58.44	318.20	6.46	-51.98
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C(F)F)C=C1	REAL300013192234	0	45	0.0	-56.49	359.91	8.10	-48.39
C[NH+](C)CC(NC(=O)NC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300013192235	0	38	0.0	-58.44	318.20	6.46	-51.98
COCCOCCOC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013192588	0	53	0.0	-68.88	426.78	5.25	-63.63
COCCOCCOC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013192597	0	53	0.0	-68.88	426.78	5.25	-63.63
CC1CC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2O1	REAL300013192834	0	43	0.0	-59.66	342.80	6.15	-53.51
CC1CC2=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=CC=C2O1	REAL300013192844	0	50	0.0	-54.46	384.87	8.00	-46.46
CC1CC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2O1	REAL300013192845	0	43	0.0	-59.66	342.80	6.15	-53.51
CC1=NOC(CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)=N1	REAL300013193148	0	46	0.0	-58.80	380.59	5.59	-53.21
CC1=NOC(CC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2)=N1	REAL300013193160	0	53	0.0	-60.06	421.88	7.34	-52.72
CC1=NOC(CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)=N1	REAL300013193161	0	46	0.0	-58.80	380.59	5.59	-53.21
CC1=CC=CC=C1OC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013193430	0	49	0.0	-64.49	394.97	9.05	-55.44
CC1=CC=CC=C1OC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013193440	0	56	0.0	-60.66	435.55	10.76	-49.90
CC1=CC=CC=C1OC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013193441	0	49	0.0	-64.49	394.97	9.05	-55.44
C[NH+](C)CC(NC(=O)NC1=CC=CC(COC(C)(C)C)=C1)C(=O)[O-]	REAL300013193727	0	51	0.0	-58.86	397.03	7.31	-51.55
CC(C)(C)OCC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013193739	0	58	0.0	-53.05	438.06	9.15	-43.90
C[NH+](C)CC(NC(=O)NC1=CC=CC(COC(C)(C)C)=C1)C(=O)[O-]	REAL300013193740	0	51	0.0	-58.86	397.03	7.31	-51.55
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1N1CCOCC1=O	REAL300013194008	0	50	0.0	-67.47	398.54	5.94	-61.53
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1N1CCOCC1=O	REAL300013194018	0	50	0.0	-67.47	398.54	5.94	-61.53
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=CC=C2)C(Cl)=C1)C(=O)[O-]	REAL300013194277	0	46	0.0	-59.45	390.69	8.80	-50.65
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=CC=C2)C(Cl)=C1)C(=O)[O-]	REAL300013194284	0	46	0.0	-59.45	390.69	8.80	-50.65
CCC1=NC(OC)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013194503	0	44	0.0	-57.75	352.80	3.80	-53.95
CCC1=NC(OC)=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013194513	0	51	0.0	-54.19	393.47	5.60	-48.59
CCC1=NC(OC)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013194514	0	44	0.0	-57.75	352.80	3.80	-53.95
CC1=CC=NC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013194727	0	44	0.0	-59.16	345.41	7.71	-51.45
CC1=CC=NC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013194729	0	51	0.0	-58.13	387.61	10.22	-47.91
CC1=CC=NC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013194729	1	51	0.0	-66.70	393.55	10.70	-56.00
CC1=CC=CN=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013194891	0	44	0.0	-57.74	341.71	7.94	-49.80
CC1=CC=CN=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013194893	0	51	0.0	-67.15	389.94	10.83	-56.32
CC1=CC=CN=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013194893	1	51	0.0	-58.71	383.90	10.33	-48.38
CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])N=C1	REAL300013195055	0	44	0.0	-59.22	345.01	7.69	-51.53
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)N=C1	REAL300013195057	0	51	0.0	-58.58	387.57	10.17	-48.41
CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)N=C1	REAL300013195057	1	51	0.0	-58.56	387.52	10.18	-48.38
C[NH+](C)CC(NC(=O)NC1=NC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300013195281	0	40	0.0	-65.38	328.61	7.44	-57.94
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC2=CC=CC=C2C=C1	REAL300013195291	0	47	0.0	-63.99	370.20	9.18	-54.81
C[NH+](C)CC(NC(=O)NC1=NC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300013195292	0	40	0.0	-65.38	328.61	7.44	-57.94
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195586	0	44	0.0	-61.66	375.81	8.77	-52.89
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC=C(CC2=CC=CC=C2)S1	REAL300013195598	0	51	0.0	-60.15	417.48	10.54	-49.61
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2=CC=CC=C2)S1)C(=O)[O-]	REAL300013195599	0	44	0.0	-61.66	375.81	8.77	-52.89
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC2=C(CCC2)S1	REAL300013195847	0	45	0.0	-60.20	359.68	7.95	-52.25
CC(C)C1=CSC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013196093	0	40	0.0	-54.29	331.88	5.54	-48.75
CC(C)C1=CSC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=N1	REAL300013196103	0	47	0.0	-50.92	372.96	7.39	-43.53
CC(C)C1=CSC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013196104	0	40	0.0	-54.29	331.88	5.54	-48.75
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196332	0	44	0.0	-61.56	387.72	9.04	-52.52
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)[O-]	REAL300013196338	0	44	0.0	-61.56	387.72	9.04	-52.52
CC1=CC(C)=NC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013196563	0	47	0.0	-57.80	367.26	8.34	-49.46
CC1=CC(C)=NC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013196566	0	54	0.0	-58.55	409.22	10.81	-47.74
CC1=CC(C)=NC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013196566	1	54	0.0	-67.09	415.17	11.29	-55.80
CCC1=CC=C(C)N=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013196802	0	50	0.0	-59.39	385.05	9.17	-50.22
CCC1=CC=C(C)N=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013196805	0	57	0.0	-66.61	433.24	12.17	-54.44
CCC1=CC=C(C)N=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013196805	1	57	0.0	-66.90	433.19	12.15	-54.75
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197065	0	44	0.0	-62.46	381.41	8.71	-53.75
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2=CC=CC=C2F)S1)C(=O)[O-]	REAL300013197074	0	44	0.0	-62.46	381.41	8.71	-53.75
CC1=CC=C(CC2=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S2)C=C1F	REAL300013197269	0	47	0.0	-64.80	402.68	9.40	-55.40
CC1=CC=C(CC2=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S2)C=C1F	REAL300013197275	0	47	0.0	-64.80	402.68	9.40	-55.40
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197475	0	44	0.0	-64.14	382.47	8.77	-55.37
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)[O-]	REAL300013197484	0	44	0.0	-64.14	382.47	8.77	-55.37
C[NH+](C)CC(NC(=O)NC1=NC=C(Br)S1)C(=O)[O-]	REAL300013197743	0	31	0.0	-53.13	292.15	4.46	-48.67
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC=C(Br)S1	REAL300013197755	0	38	0.0	-50.07	333.46	6.24	-43.83
C[NH+](C)CC(NC(=O)NC1=NC=C(Br)S1)C(=O)[O-]	REAL300013197756	0	31	0.0	-53.13	292.15	4.46	-48.67
C[NH+](C)CC(NC(=O)NC1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198040	0	41	0.0	-62.80	336.40	6.65	-56.15
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC2=C(CCCC2)S1	REAL300013198050	0	48	0.0	-59.25	377.57	8.52	-50.73
C[NH+](C)CC(NC(=O)NC1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300013198051	0	41	0.0	-62.80	336.40	6.65	-56.15
CC1=C(C)SC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=N1	REAL300013198297	0	44	0.0	-50.99	352.98	6.85	-44.14
CC1=C(C)SC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013198300	0	51	0.0	-58.65	398.46	9.81	-48.84
CC1=C(C)SC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013198300	1	51	0.0	-50.43	394.93	9.28	-41.15
CC1=CSC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=N1	REAL300013198492	0	41	0.0	-51.25	333.56	6.11	-45.14
CC1=CSC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013198494	0	48	0.0	-57.38	382.11	9.06	-48.32
CC1=CSC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013198494	1	48	0.0	-57.37	382.06	9.05	-48.32
CCN1C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=N1	REAL300013198667	0	45	0.0	-59.58	351.42	5.97	-53.61
CCN1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013198669	0	52	0.0	-58.09	393.61	8.42	-49.67
CCN1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013198669	1	52	0.0	-66.70	399.53	8.90	-57.80
CN1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013198823	0	49	0.0	-57.97	372.07	7.55	-50.42
CN1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013198823	1	49	0.0	-66.60	377.99	8.03	-58.57
C[NH+](C)CC(NC(=O)NC1=CN(CC2CCCO2)N=C1)C(=O)[O-]	REAL300013199062	0	46	0.0	-63.93	366.56	4.44	-59.49
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(CC2CCCO2)N=C1	REAL300013199073	0	53	0.0	-60.01	407.87	6.23	-53.78
C[NH+](C)CC(NC(=O)NC1=CN(CC2CCCO2)N=C1)C(=O)[O-]	REAL300013199074	0	46	0.0	-63.93	366.56	4.44	-59.49
COCCN1C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=N1	REAL300013199345	0	49	0.0	-58.99	385.09	5.00	-53.99
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC(C2CC2)=CS1	REAL300013199600	0	45	0.0	-51.21	362.60	7.59	-43.62
C[NH+](C)CC(NC(=O)NC1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199889	0	44	0.0	-55.11	373.64	8.05	-47.06
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC(CC2=CC=CC=C2)=CS1	REAL300013199901	0	51	0.0	-52.32	414.70	9.90	-42.42
C[NH+](C)CC(NC(=O)NC1=NC(CC2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300013199902	0	44	0.0	-55.11	373.64	8.05	-47.06
CCC1=C(C)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013200152	0	40	0.0	-54.97	332.58	5.72	-49.25
CCC1=C(C)SC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=N1	REAL300013200162	0	47	0.0	-51.94	374.26	7.54	-44.40
CCC1=C(C)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013200163	0	40	0.0	-54.97	332.58	5.72	-49.25
CC1=C(CC2=CC=CC=C2Cl)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013200368	0	47	0.0	-62.76	402.47	9.34	-53.42
CC1=C(CC2=CC=CC=C2Cl)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013200371	0	47	0.0	-62.76	402.47	9.34	-53.42
CC1=C(CC2=CC=CC(F)=C2)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013200519	0	47	0.0	-64.46	396.18	9.11	-55.35
CC1=C(CC2=CC=CC(F)=C2)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013200525	0	47	0.0	-64.46	396.18	9.11	-55.35
CC1=C(CC2=CC=C(F)C=C2)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013200697	0	47	0.0	-65.02	396.57	9.06	-55.96
CC1=C(CC2=CC=C(F)C=C2)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013200703	0	47	0.0	-65.02	396.57	9.06	-55.96
CC1=CC(Cl)=CC=C1CC1=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013200854	0	47	0.0	-62.56	406.58	9.64	-52.92
CC1=CC(Cl)=CC=C1CC1=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013200857	0	47	0.0	-62.56	406.58	9.64	-52.92
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201035	0	44	0.0	-63.57	382.36	8.75	-54.82
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2=CC=C(F)C=C2)S1)C(=O)[O-]	REAL300013201044	0	44	0.0	-63.57	382.36	8.75	-54.82
CCC1CCC2=C(C1)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N2	REAL300013201299	0	47	0.0	-61.73	375.37	7.94	-53.79
CCC1CCC2=C(C1)SC(NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-])=N2	REAL300013201311	0	54	0.0	-58.64	417.14	9.79	-48.85
CCC1CCC2=C(C1)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N2	REAL300013201312	0	47	0.0	-61.73	375.37	7.94	-53.79
CC1=C(CC2=CC=CC=C2F)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013201546	0	47	0.0	-63.11	396.27	9.05	-54.06
CC1=C(CC2=CC=CC=C2F)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013201552	0	47	0.0	-63.11	396.27	9.05	-54.06
CC1=C(CC2=CC=C(C)C=C2)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013201725	0	50	0.0	-63.61	411.57	9.66	-53.95
CC1=C(CC2=CC=C(C)C=C2)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013201732	0	50	0.0	-63.61	411.57	9.66	-53.95
CC1=C(CC2=CC=CC(Cl)=C2)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013201881	0	47	0.0	-64.25	406.26	9.52	-54.73
CC1=C(CC2=CC=CC(Cl)=C2)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013201884	0	47	0.0	-64.25	406.26	9.52	-54.73
C[NH+](C)CC(NC(=O)NC1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300013202103	0	45	0.0	-63.98	369.78	7.09	-56.89
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(CC2=CC=CC=C2)N=C1	REAL300013202115	0	52	0.0	-59.17	411.52	9.00	-50.17
C[NH+](C)CC(NC(=O)NC1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300013202116	0	45	0.0	-63.98	369.78	7.09	-56.89
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=CC=CC=C2)C=N1)C(=O)[O-]	REAL300013202425	0	44	0.0	-63.97	356.77	8.59	-55.38
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C2=CC=CC=C2)C=N1	REAL300013202436	0	51	0.0	-60.37	397.94	10.46	-49.91
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=CC=CC=C2)C=N1)C(=O)[O-]	REAL300013202437	0	44	0.0	-63.97	356.77	8.59	-55.38
CSC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])N=C1	REAL300013202704	0	45	0.0	-58.70	363.88	8.03	-50.67
C[NH+](C)CC(NC(=O)NC1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013202995	0	47	0.0	-61.38	361.99	7.56	-53.82
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC2=C(CCCCCC2)S1	REAL300013203007	0	54	0.0	-57.20	404.08	9.40	-47.80
C[NH+](C)CC(NC(=O)NC1=NC2=C(CCCCCC2)S1)C(=O)[O-]	REAL300013203008	0	47	0.0	-61.38	361.99	7.56	-53.82
CCC1=CN=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])S1	REAL300013203305	0	44	0.0	-58.71	357.57	7.52	-51.19
CCC1=CN=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300013203308	0	51	0.0	-66.11	405.76	10.52	-55.59
CCC1=CN=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300013203308	1	51	0.0	-66.05	405.71	10.51	-55.54
CC(C)(C)N1C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=N1	REAL300013203548	0	51	0.0	-58.53	389.51	7.13	-51.40
CC(C)(C)N1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013203551	0	58	0.0	-57.30	432.09	9.56	-47.74
CC(C)(C)N1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013203551	1	58	0.0	-66.01	438.00	10.04	-55.97
C[NH+](C)CC(NC(=O)NC1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203765	0	51	0.0	-61.35	413.44	10.17	-51.18
C[NH+](C)CC(NC(=O)NC1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)C(=O)[O-]	REAL300013203769	0	51	0.0	-61.35	413.44	10.17	-51.18
C[NH+](C)CC(NC(=O)NC1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013203996	0	44	0.0	-61.81	353.17	7.23	-54.58
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC2=C(CCCCC2)S1	REAL300013204007	0	51	0.0	-59.20	395.28	9.07	-50.13
C[NH+](C)CC(NC(=O)NC1=NC2=C(CCCCC2)S1)C(=O)[O-]	REAL300013204008	0	44	0.0	-61.81	353.17	7.23	-54.58
CC1=C(CC2=CC=CC=C2)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013204287	0	47	0.0	-63.00	389.60	9.01	-53.99
CC1=C(CC2=CC=CC=C2)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013204297	0	47	0.0	-63.00	389.60	9.01	-53.99
CCCC1CCC2=C(C1)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N2	REAL300013204546	0	50	0.0	-62.11	397.44	8.68	-53.43
CCCC1CCC2=C(C1)SC(NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-])=N2	REAL300013204556	0	57	0.0	-56.96	438.93	10.65	-46.31
CCCC1CCC2=C(C1)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N2	REAL300013204557	0	50	0.0	-62.11	397.44	8.68	-53.43
C[NH+](C)CC(NC(=O)NC1=CN(CC2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300013204846	0	44	0.0	-66.18	364.46	5.30	-60.88
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(CC2=CC=CC=N2)N=C1	REAL300013204858	0	51	0.0	-61.15	405.63	7.18	-53.97
C[NH+](C)CC(NC(=O)NC1=CN(CC2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300013204859	0	44	0.0	-66.18	364.46	5.30	-60.88
C[NH+](C)CC(NC(=O)NC1=CN(CC2=CC=CN=C2)N=C1)C(=O)[O-]	REAL300013205173	0	44	0.0	-65.99	364.62	5.31	-60.68
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(CC2=CC=CN=C2)N=C1	REAL300013205185	0	51	0.0	-60.76	406.11	7.28	-53.48
C[NH+](C)CC(NC(=O)NC1=CN(CC2=CC=CN=C2)N=C1)C(=O)[O-]	REAL300013205186	0	44	0.0	-65.99	364.62	5.31	-60.68
CC(C)N1C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=N1	REAL300013205432	0	48	0.0	-57.24	370.32	6.52	-50.72
CC(C)N1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013205435	0	55	0.0	-66.03	418.32	9.42	-56.61
CC(C)N1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013205435	1	55	0.0	-65.94	418.25	9.42	-56.52
C[NH+](C)CC(NC(=O)NC1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205724	0	39	0.0	-55.82	324.64	3.87	-51.95
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC2=C(COCC2)S1	REAL300013205734	0	46	0.0	-52.85	366.76	5.71	-47.14
C[NH+](C)CC(NC(=O)NC1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013205735	0	39	0.0	-55.82	324.64	3.87	-51.95
C[NH+](C)CC(NC(=O)NC1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206027	0	43	0.0	-60.78	354.02	6.82	-53.96
CC(C)(C)C1=CN=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])S1	REAL300013206037	0	50	0.0	-58.14	395.33	8.60	-49.54
C[NH+](C)CC(NC(=O)NC1=NC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300013206038	0	43	0.0	-60.78	354.02	6.82	-53.96
C[NH+](C)CC(NC(=O)NC1=CN(CCN2CCOCC2)N=C1)C(=O)[O-]	REAL300013206326	0	51	0.0	-63.01	398.34	2.59	-60.42
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(CCN2CCOCC2)N=C1	REAL300013206336	0	58	0.0	-60.28	439.75	4.43	-55.85
C[NH+](C)CC(NC(=O)NC1=CN(CCN2CCOCC2)N=C1)C(=O)[O-]	REAL300013206337	0	51	0.0	-63.01	398.34	2.59	-60.42
CC1=C(C(C)C)N=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013206603	0	43	0.0	-54.72	352.54	6.31	-48.41
CC1=C(C(C)C)N=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])S1	REAL300013206613	0	50	0.0	-50.58	394.87	8.19	-42.39
CC1=C(C(C)C)N=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013206614	0	43	0.0	-54.72	352.54	6.31	-48.41
CCC1=CSC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=N1	REAL300013206861	0	44	0.0	-51.07	354.70	6.90	-44.17
CCC1=CSC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013206864	0	51	0.0	-57.28	403.25	9.85	-47.43
CCC1=CSC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013206864	1	51	0.0	-57.18	403.21	9.84	-47.34
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=CC=C3OCCC3=C2)=N1)C(=O)[O-]	REAL300013207101	0	49	0.0	-66.21	394.93	8.71	-57.50
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=CC=C3OCCC3=C2)=N1)C(=O)[O-]	REAL300013207110	0	49	0.0	-66.21	394.93	8.71	-57.50
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=CC=C3OCCOC3=C2)=N1)C(=O)[O-]	REAL300013207291	0	50	0.0	-71.04	403.78	7.94	-63.10
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=CC=C3OCCOC3=C2)=N1)C(=O)[O-]	REAL300013207297	0	50	0.0	-71.04	403.78	7.94	-63.10
C[NH+](C)CC(NC(=O)NC1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207486	0	53	0.0	-61.29	404.93	8.71	-52.58
C[NH+](C)CC(NC(=O)NC1=NC2=C(CC(C(C)(C)C)CC2)S1)C(=O)[O-]	REAL300013207495	0	53	0.0	-61.29	404.93	8.71	-52.58
COC1=CN=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])S1	REAL300013207695	0	42	0.0	-59.49	346.72	5.48	-54.01
COC1=CN=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300013207698	0	49	0.0	-66.97	394.91	8.49	-58.48
COC1=CN=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300013207698	1	49	0.0	-67.01	394.86	8.47	-58.54
CCC1=CC=CN=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013207913	0	47	0.0	-59.06	363.43	8.58	-50.48
CCC1=CC=CN=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013207916	0	54	0.0	-58.18	405.64	11.10	-47.08
CCC1=CC=CN=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013207916	1	54	0.0	-57.95	405.59	11.08	-46.87
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2CCCC2=N1	REAL300013208151	0	48	0.0	-61.09	369.44	8.88	-52.21
O=C([O-])C1(NC(=O)NC2=CC=C3CCCC3=N2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013208154	0	55	0.0	-60.15	411.67	11.37	-48.78
O=C([O-])C1(NC(=O)NC2=CC=C3CCCC3=N2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013208154	1	55	0.0	-68.58	417.60	11.86	-56.72
CCC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])N=C1	REAL300013208381	0	47	0.0	-57.11	366.86	8.56	-48.55
CCC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)N=C1	REAL300013208384	0	54	0.0	-58.18	409.05	10.94	-47.24
CCC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)N=C1	REAL300013208384	1	54	0.0	-66.92	414.98	11.43	-55.49
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=N1)CCCC2)C(=O)[O-]	REAL300013208644	0	44	0.0	-61.41	345.22	7.68	-53.73
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC2=C(C=N1)CCCC2	REAL300013208654	0	51	0.0	-59.24	386.65	9.50	-49.74
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=N1)CCCC2)C(=O)[O-]	REAL300013208655	0	44	0.0	-61.41	345.22	7.68	-53.73
CC1=CN=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C(C)=C1	REAL300013208896	0	47	0.0	-59.83	363.21	8.47	-51.36
CC1=CN=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C(C)=C1	REAL300013208899	0	54	0.0	-58.92	405.40	10.97	-47.95
CC1=CN=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C(C)=C1	REAL300013208899	1	54	0.0	-67.32	411.33	11.45	-55.87
CN1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013209069	0	49	0.0	-57.97	372.07	7.55	-50.42
CN1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013209069	1	49	0.0	-66.60	377.99	8.03	-58.57
C[NH+](C)CC(NC(=O)NC1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209308	0	44	0.0	-55.71	356.68	6.74	-48.97
CC1(C)CCC2=C1N=C(NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-])S2	REAL300013209319	0	51	0.0	-52.46	398.47	8.59	-43.87
C[NH+](C)CC(NC(=O)NC1=NC2=C(CCC2(C)C)S1)C(=O)[O-]	REAL300013209320	0	44	0.0	-55.71	356.68	6.74	-48.97
CCCC1=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013209582	0	40	0.0	-60.59	337.40	6.53	-54.06
CCCC1=CN=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])S1	REAL300013209592	0	47	0.0	-58.53	379.07	8.30	-50.23
CCCC1=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013209593	0	40	0.0	-60.59	337.40	6.53	-54.06
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC2=C(C=N1)CCC2	REAL300013209849	0	48	0.0	-59.03	369.02	8.97	-50.06
O=C([O-])C1(NC(=O)NC2=CC3=C(C=N2)CCC3)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013209852	0	55	0.0	-66.85	417.56	11.94	-54.91
O=C([O-])C1(NC(=O)NC2=CC3=C(C=N2)CCC3)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013209852	1	55	0.0	-58.35	411.53	11.45	-46.90
COCC1=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013210114	0	38	0.0	-62.49	328.21	3.93	-58.56
COCC1=CN=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])S1	REAL300013210124	0	45	0.0	-60.12	369.75	5.80	-54.32
COCC1=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013210125	0	38	0.0	-62.49	328.21	3.93	-58.56
C[NH+](C)CC(NC(=O)NC1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210409	0	34	0.0	-56.76	308.41	5.14	-51.62
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC2=C(SC=C2)S1	REAL300013210419	0	41	0.0	-53.12	349.58	7.00	-46.12
C[NH+](C)CC(NC(=O)NC1=NC2=C(SC=C2)S1)C(=O)[O-]	REAL300013210420	0	34	0.0	-56.76	308.41	5.14	-51.62
C[NH+](C)CC(NC(=O)NC1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210712	0	39	0.0	-55.82	324.64	3.87	-51.95
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC2=C(COCC2)S1	REAL300013210722	0	46	0.0	-52.85	366.76	5.71	-47.14
C[NH+](C)CC(NC(=O)NC1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300013210723	0	39	0.0	-55.82	324.64	3.87	-51.95
C[NH+](C)CC(NC(=O)NC1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300013211032	0	38	0.0	-65.97	327.52	4.66	-61.31
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(CC(F)(F)F)N=C1	REAL300013211043	0	45	0.0	-61.95	369.29	6.46	-55.49
C[NH+](C)CC(NC(=O)NC1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300013211044	0	38	0.0	-65.97	327.52	4.66	-61.31
CCCN1C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=N1	REAL300013211292	0	48	0.0	-58.86	372.56	6.74	-52.12
CCCN1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013211295	0	55	0.0	-57.56	415.10	9.17	-48.39
CCCN1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013211295	1	55	0.0	-66.40	421.05	9.65	-56.75
C[NH+](C)CC(NC(=O)NC1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300013211557	0	45	0.0	-60.37	351.09	5.98	-54.39
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(C2CCCC2)N=C1	REAL300013211567	0	52	0.0	-58.39	392.75	7.75	-50.64
C[NH+](C)CC(NC(=O)NC1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300013211568	0	45	0.0	-60.37	351.09	5.98	-54.39
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC(C2CC2)=CC=N1	REAL300013211835	0	48	0.0	-58.51	373.38	9.15	-49.36
O=C([O-])C1(NC(=O)NC2=CC(C3CC3)=CC=N2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013211838	0	55	0.0	-65.72	421.58	12.14	-53.58
O=C([O-])C1(NC(=O)NC2=CC(C3CC3)=CC=N2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013211838	1	55	0.0	-66.12	421.53	12.13	-53.99
CC(C1=CC=CC=C1)N1C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=N1	REAL300013212130	0	48	0.0	-62.30	384.08	7.39	-54.91
CC(C1=CC=CC=C1)N1C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=N1	REAL300013212142	0	55	0.0	-59.18	425.10	9.26	-49.92
CC(C1=CC=CC=C1)N1C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=N1	REAL300013212143	0	48	0.0	-62.30	384.08	7.39	-54.91
C[NH+](C)CC(NC(=O)NC1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300013212416	0	46	0.0	-63.01	357.92	7.40	-55.61
CC(C)(C)C1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])N=C1	REAL300013212426	0	53	0.0	-58.84	400.08	9.34	-49.50
C[NH+](C)CC(NC(=O)NC1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300013212427	0	46	0.0	-63.01	357.92	7.40	-55.61
C[NH+](C)CC(NC(=O)NC1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212719	0	41	0.0	-54.67	337.02	6.20	-48.47
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC(C2CCC2)=CS1	REAL300013212729	0	48	0.0	-51.28	378.53	8.05	-43.23
C[NH+](C)CC(NC(=O)NC1=NC(C2CCC2)=CS1)C(=O)[O-]	REAL300013212730	0	41	0.0	-54.67	337.02	6.20	-48.47
C[NH+](C)CC(NC(=O)NC1=CC=C(C2CCC2)C=N1)C(=O)[O-]	REAL300013213020	0	44	0.0	-62.93	347.30	7.63	-55.30
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C2CCC2)C=N1	REAL300013213030	0	51	0.0	-59.37	389.79	9.55	-49.82
C[NH+](C)CC(NC(=O)NC1=CC=C(C2CCC2)C=N1)C(=O)[O-]	REAL300013213031	0	44	0.0	-62.93	347.30	7.63	-55.30
CC(C)C1=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013213291	0	40	0.0	-61.62	336.38	6.30	-55.32
CC(C)C1=CN=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])S1	REAL300013213301	0	47	0.0	-58.13	377.56	8.16	-49.97
CC(C)C1=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013213302	0	40	0.0	-61.62	336.38	6.30	-55.32
CC1=NC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013213595	0	47	0.0	-63.05	378.48	9.25	-53.80
CC1=NC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013213607	0	54	0.0	-59.43	419.89	11.07	-48.36
CC1=NC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1C1=CC=CC=C1	REAL300013213608	0	47	0.0	-63.05	378.48	9.25	-53.80
C[NH+](C)CC(NC(=O)NC1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213895	0	47	0.0	-60.69	378.12	8.21	-52.48
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC=C(C2CCCCC2)S1	REAL300013213907	0	54	0.0	-58.04	419.55	10.05	-47.99
C[NH+](C)CC(NC(=O)NC1=NC=C(C2CCCCC2)S1)C(=O)[O-]	REAL300013213908	0	47	0.0	-60.69	378.12	8.21	-52.48
C[NH+](C)CC(NC(=O)NC1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214214	0	39	0.0	-55.50	335.13	5.96	-49.54
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC2=C(CSCC2)S1	REAL300013214226	0	46	0.0	-52.16	376.17	7.84	-44.32
C[NH+](C)CC(NC(=O)NC1=NC2=C(CSCC2)S1)C(=O)[O-]	REAL300013214227	0	39	0.0	-55.50	335.13	5.96	-49.54
C[NH+](C)CC(NC(=O)NC1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214538	0	46	0.0	-53.70	368.01	7.39	-46.31
CC(C)(C)CC1=CSC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=N1	REAL300013214549	0	53	0.0	-50.60	409.43	9.20	-41.40
C[NH+](C)CC(NC(=O)NC1=NC(CC(C)(C)C)=CS1)C(=O)[O-]	REAL300013214550	0	46	0.0	-53.70	368.01	7.39	-46.31
C[NH+](C)CC(NC(=O)NC1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214856	0	47	0.0	-62.16	372.11	7.58	-54.58
CC1(C)CCC2=C(C1)SC(NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-])=N2	REAL300013214868	0	54	0.0	-58.60	413.29	9.45	-49.15
C[NH+](C)CC(NC(=O)NC1=NC2=C(CC(C)(C)CC2)S1)C(=O)[O-]	REAL300013214869	0	47	0.0	-62.16	372.11	7.58	-54.58
C[NH+](C)CC(NC(=O)NC1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215162	0	45	0.0	-61.82	368.36	5.83	-55.99
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC=C(C2CCOCC2)S1	REAL300013215174	0	52	0.0	-58.44	409.77	7.63	-50.81
C[NH+](C)CC(NC(=O)NC1=NC=C(C2CCOCC2)S1)C(=O)[O-]	REAL300013215175	0	45	0.0	-61.82	368.36	5.83	-55.99
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(CC2CC2)N=C1	REAL300013215425	0	49	0.0	-59.62	382.73	7.53	-52.09
O=C([O-])C1(NC(=O)NC2=CN(CC3CC3)N=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013215428	0	56	0.0	-58.07	424.93	9.98	-48.09
O=C([O-])C1(NC(=O)NC2=CN(CC3CC3)N=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013215428	1	56	0.0	-66.96	430.88	10.47	-56.49
CC(C)CN1C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=N1	REAL300013215684	0	51	0.0	-59.21	392.74	7.48	-51.73
CC(C)CN1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013215687	0	58	0.0	-57.01	430.47	9.99	-47.02
CC(C)CN1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013215687	1	58	0.0	-65.80	436.39	10.46	-55.34
C[NH+](C)CC(NC(=O)NC1=CN(CC2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300013215945	0	45	0.0	-64.21	386.63	7.65	-56.56
C[NH+](C)CC(NC(=O)NC1=CN(CC2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300013215955	0	45	0.0	-64.21	386.63	7.65	-56.56
CCC(C)(C)C1CCC2=C(C1)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N2	REAL300013216146	0	56	0.0	-61.38	419.14	9.19	-52.19
CCC(C)(C)C1CCC2=C(C1)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N2	REAL300013216152	0	56	0.0	-61.38	419.14	9.19	-52.19
COCC1=CC=NC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013216344	0	48	0.0	-60.04	379.07	6.77	-53.27
COCC1=CC=NC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013216347	0	55	0.0	-67.10	427.27	9.76	-57.34
COCC1=CC=NC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013216347	1	55	0.0	-67.16	427.20	9.75	-57.41
CC(C1CC1)N1C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=N1	REAL300013216624	0	45	0.0	-61.66	358.47	6.07	-55.59
CC(C1CC1)N1C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=N1	REAL300013216634	0	52	0.0	-58.65	401.63	8.02	-50.63
CC(C1CC1)N1C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=N1	REAL300013216635	0	45	0.0	-61.66	358.47	6.07	-55.59
COC1=CC=C(CN2C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=N2)C=C1	REAL300013216912	0	49	0.0	-65.77	399.06	6.47	-59.30
COC1=CC=C(CN2C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=N2)C=C1	REAL300013216922	0	49	0.0	-65.77	399.06	6.47	-59.30
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C2CC2)=N1	REAL300013217149	0	48	0.0	-60.79	373.68	9.05	-51.74
O=C([O-])C1(NC(=O)NC2=CC=CC(C3CC3)=N2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013217152	0	55	0.0	-68.10	421.87	12.04	-56.06
O=C([O-])C1(NC(=O)NC2=CC=CC(C3CC3)=N2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013217152	1	55	0.0	-68.25	421.82	12.04	-56.21
CC1=CC=NC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C1CC1	REAL300013217430	0	44	0.0	-64.01	347.10	8.12	-55.89
CC1=CC=NC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1C1CC1	REAL300013217440	0	51	0.0	-57.86	387.16	9.87	-47.99
CC1=CC=NC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C1CC1	REAL300013217441	0	44	0.0	-64.01	347.10	8.12	-55.89
COCCC1=CC=NC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013217732	0	44	0.0	-62.02	359.04	5.69	-56.33
COCCC1=CC=NC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013217742	0	51	0.0	-58.52	400.22	7.55	-50.97
COCCC1=CC=NC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013217743	0	44	0.0	-62.02	359.04	5.69	-56.33
CCCC1=CSC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013218063	0	40	0.0	-54.19	335.14	5.82	-48.37
CCCC1=CSC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=N1	REAL300013218073	0	47	0.0	-51.02	376.20	7.68	-43.34
CCCC1=CSC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013218074	0	40	0.0	-54.19	335.14	5.82	-48.37
C[NH+](C)CC(NC(=O)NC1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218368	0	47	0.0	-55.51	371.56	7.25	-48.26
CC1(C)CCCC2=C1N=C(NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-])S2	REAL300013218380	0	54	0.0	-51.85	412.74	9.12	-42.73
C[NH+](C)CC(NC(=O)NC1=NC2=C(CCCC2(C)C)S1)C(=O)[O-]	REAL300013218381	0	47	0.0	-55.51	371.56	7.25	-48.26
C[NH+](C)CC(NC(=O)NC1=CN(CC2=NN=C3CCCCN23)N=C1)C(=O)[O-]	REAL300013218616	0	51	0.0	-70.85	407.22	7.10	-63.75
C[NH+](C)CC(NC(=O)NC1=CN(CC2=NN=C3CCCCN23)N=C1)C(=O)[O-]	REAL300013218623	0	51	0.0	-70.85	407.22	7.10	-63.75
C[NH+](C)CC(NC(=O)NC1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218852	0	48	0.0	-54.54	367.42	7.45	-47.09
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC(C2CC3CCC2C3)=CS1	REAL300013218864	0	55	0.0	-50.54	408.59	9.32	-41.22
C[NH+](C)CC(NC(=O)NC1=NC(C2CC3CCC2C3)=CS1)C(=O)[O-]	REAL300013218865	0	48	0.0	-54.54	367.42	7.45	-47.09
CC1=C(CC2=C(F)C=CC=C2F)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013219058	0	47	0.0	-62.58	398.73	9.03	-53.55
CC1=C(CC2=C(F)C=CC=C2F)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013219061	0	47	0.0	-62.58	398.73	9.03	-53.55
CC1=C(CC2=CC=C(F)C=C2F)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013219178	0	47	0.0	-62.41	406.07	9.28	-53.13
CC1=C(CC2=CC=C(F)C=C2F)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013219181	0	47	0.0	-62.41	406.07	9.28	-53.13
C[NH+](C)CC(NC(=O)NC1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219444	0	45	0.0	-55.07	364.29	5.01	-50.06
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC(C2CCOCC2)=CS1	REAL300013219456	0	52	0.0	-51.51	405.36	6.87	-44.64
C[NH+](C)CC(NC(=O)NC1=NC(C2CCOCC2)=CS1)C(=O)[O-]	REAL300013219457	0	45	0.0	-55.07	364.29	5.01	-50.06
C[NH+](C)CC(NC(=O)NC1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219744	0	37	0.0	-55.28	330.92	5.66	-49.62
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC(CC(F)(F)F)=CS1	REAL300013219756	0	44	0.0	-53.38	372.68	7.45	-45.93
C[NH+](C)CC(NC(=O)NC1=NC(CC(F)(F)F)=CS1)C(=O)[O-]	REAL300013219757	0	37	0.0	-55.28	330.92	5.66	-49.62
CC1=C(C2CCCCC2)N=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013220035	0	50	0.0	-54.50	394.18	8.20	-46.30
CC1=C(C2CCCCC2)N=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])S1	REAL300013220045	0	57	0.0	-49.95	436.26	10.15	-39.80
CC1=C(C2CCCCC2)N=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013220046	0	50	0.0	-54.50	394.18	8.20	-46.30
C[NH+](C)CC(NC(=O)NC1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220312	0	43	0.0	-54.60	351.36	6.24	-48.36
CC(C)(C)C1=CSC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=N1	REAL300013220322	0	50	0.0	-50.83	392.54	8.10	-42.73
C[NH+](C)CC(NC(=O)NC1=NC(C(C)(C)C)=CS1)C(=O)[O-]	REAL300013220323	0	43	0.0	-54.60	351.36	6.24	-48.36
C[NH+](C)CC(NC(=O)NC1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220562	0	52	0.0	-62.03	396.99	6.79	-55.24
C[NH+](C)CC(NC(=O)NC1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)[O-]	REAL300013220568	0	52	0.0	-62.03	396.99	6.79	-55.24
CCC1(CC)CCC2=C(C1)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N2	REAL300013220758	0	53	0.0	-61.87	400.87	8.53	-53.34
CCC1(CC)CCC2=C(C1)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N2	REAL300013220767	0	53	0.0	-61.87	400.87	8.53	-53.34
CC1=CC=NC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C1CC1	REAL300013221005	0	44	0.0	-64.01	347.10	8.12	-55.89
CC1=CC=NC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1C1CC1	REAL300013221015	0	51	0.0	-57.86	387.16	9.87	-47.99
CC1=CC=NC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C1CC1	REAL300013221016	0	44	0.0	-64.01	347.10	8.12	-55.89
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221255	0	44	0.0	-62.24	388.64	8.90	-53.34
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)[O-]	REAL300013221261	0	44	0.0	-62.24	388.64	8.90	-53.34
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221424	0	44	0.0	-63.66	386.59	8.74	-54.92
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)[O-]	REAL300013221430	0	44	0.0	-63.66	386.59	8.74	-54.92
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3CCCCC3)C(=O)[O-])C=N2)CC1	REAL300013221482	0	58	0.0	-88.80	432.93	8.79	-80.01
CC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221483	0	55	0.0	-71.42	422.33	10.95	-60.47
CC1=CC=C(C(NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(=O)[O-])C=C1	REAL300013221484	0	52	0.0	-90.84	410.99	8.31	-82.53
C[NH+]1CCC(N2C=C(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C=N2)CC1	REAL300013221485	0	45	0.0	-83.27	369.14	6.34	-76.93
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCSCC3)C=N2)CC1	REAL300013221486	0	50	0.0	-89.53	380.65	7.37	-82.16
COCC(C)(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221487	0	49	0.0	-94.37	375.82	5.13	-89.24
CCOCC(C(=O)[O-])N(C)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221488	0	52	0.0	-84.90	395.82	6.87	-78.03
CC(C)CN(CC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221489	0	51	0.0	-72.70	387.28	8.42	-64.28
CCC(C1=CC=CC=C1)N(CC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221490	0	58	0.0	-68.90	437.18	11.16	-57.74
C[NH+]1CCC(N2C=C(NC(=O)N(CC(=O)[O-])C3CC3)C=N2)CC1	REAL300013221491	0	46	0.0	-74.31	354.65	7.90	-66.41
C[NH+]1CCC(N2C=C(NC(=O)N(CCC(F)(F)F)CC(=O)[O-])C=N2)CC1	REAL300013221492	0	48	0.0	-72.77	391.00	8.50	-64.27
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCOC3)C=N2)CC1	REAL300013221493	0	47	0.0	-89.79	359.09	3.97	-85.82
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3CCCCC3)C=N2)CC1	REAL300013221494	0	55	0.0	-90.34	406.52	7.85	-82.49
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CC=C(O)C=C3)C=N2)CC1	REAL300013221495	0	50	0.0	-89.23	400.39	4.87	-84.36
CN(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(COC1CCC1)C(=O)[O-]	REAL300013221496	0	56	0.0	-85.22	422.98	8.27	-76.95
C[NH+]1CCC(N2C=C(NC(=O)N3[C@H](C(=O)[O-])CC[C@H]3C3=CC=CC=C3)C=N2)CC1	REAL300013221497	0	56	0.0	-100.36	429.01	11.44	-88.92
C=CCOCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221498	0	50	0.0	-91.54	400.07	5.36	-86.18
C[NH+]1CCC(N2C=C(NC(=O)N3CCCC(O)C3C(=O)[O-])C=N2)CC1	REAL300013221499	0	50	0.0	-104.25	371.16	5.64	-98.61
C=CC(C)C(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221500	0	49	0.0	-90.48	379.01	6.45	-84.03
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3CCOCC3)C=N2)CC1	REAL300013221501	0	53	0.0	-92.93	397.93	5.36	-87.57
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=N2)CC1	REAL300013221502	0	49	0.0	-84.40	402.32	7.77	-76.63
COC1CCN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(C(=O)[O-])C1	REAL300013221503	0	53	0.0	-103.18	396.14	7.62	-95.56
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3CCCOC3)C=N2)CC1	REAL300013221504	0	53	0.0	-87.18	397.33	5.47	-81.71
CC1CCN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(C(=O)[O-])C1	REAL300013221505	0	52	0.0	-102.41	384.47	9.24	-93.17
CC1=CC(C(NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(=O)[O-])=CC=C1F	REAL300013221506	0	52	0.0	-87.26	416.31	8.35	-78.91
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CC=C4OCCC4=C3)C=N2)CC1	REAL300013221507	0	54	0.0	-90.04	425.28	7.57	-82.47
CC1=CC(C(NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(=O)[O-])=CC(C)=C1	REAL300013221508	0	55	0.0	-91.62	432.39	8.97	-82.65
CC1=CC=C(C(NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(=O)[O-])C=C1C	REAL300013221509	0	55	0.0	-91.99	428.03	8.85	-83.14
CC(C)C(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221510	0	48	0.0	-88.21	364.56	5.89	-82.32
C[NH+]1CCC(N2C=C(NC(=O)N3CCCCC3C(=O)[O-])C=N2)CC1	REAL300013221511	0	49	0.0	-102.27	363.55	8.60	-93.67
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)C=N2)CC1	REAL300013221512	0	49	0.0	-86.74	406.10	8.25	-78.49
C[NH+]1CCC(N2C=C(NC(=O)N3CCSCC3C(=O)[O-])C=N2)CC1	REAL300013221513	0	47	0.0	-98.05	363.14	8.33	-89.72
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCCCC3)C=N2)CC1	REAL300013221514	0	52	0.0	-93.44	382.96	7.68	-85.76
C[NH+]1CCC(N2C=C(NC(=O)N3CCCC3C(=O)[O-])C=N2)CC1	REAL300013221515	0	46	0.0	-96.05	352.18	7.39	-88.66
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCCC3)C=N2)CC1	REAL300013221516	0	49	0.0	-94.03	368.44	6.59	-87.44
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCCCCC3)C=N2)CC1	REAL300013221517	0	55	0.0	-94.01	388.62	8.36	-85.65
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=N2)CC1	REAL300013221518	0	52	0.0	-90.56	411.80	8.59	-81.97
C[NH+]1CCC(N2C=C(NC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C=N2)CC1	REAL300013221519	0	52	0.0	-74.17	410.38	10.37	-63.80
C[NH+]1CCC(N2C=C(NC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300013221520	0	49	0.0	-91.07	389.63	7.65	-83.42
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300013221521	0	49	0.0	-90.71	389.37	7.73	-82.98
CCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221522	0	45	0.0	-89.21	353.44	5.57	-83.64
CC(C)C(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221523	0	48	0.0	-88.21	364.56	5.89	-82.32
C[NH+]1CCC(N2C=C(NC(=O)NC(CO)C(=O)[O-])C=N2)CC1	REAL300013221524	0	43	0.0	-91.64	342.92	1.46	-90.18
C[NH+]1CCC(N2C=C(NC(=O)NC(CO)C(=O)[O-])C=N2)CC1	REAL300013221525	0	43	0.0	-91.64	342.92	1.46	-90.18
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=N2)CC1	REAL300013221526	0	52	0.0	-90.56	411.80	8.59	-81.97
CCC(C)C(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221527	0	51	0.0	-89.06	386.55	6.81	-82.25
C[NH+]1CCC(N2C=C(NC(=O)N3CCCCC3C(=O)[O-])C=N2)CC1	REAL300013221528	0	49	0.0	-102.27	363.55	8.60	-93.67
CCCC(C)(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221529	0	51	0.0	-89.99	379.07	6.60	-83.39
CC(C)N(CC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221530	0	48	0.0	-74.34	361.51	7.63	-66.71
C[NH+]1CCC(N2C=C(NC(=O)N(CC(=O)[O-])C3CC3)C=N2)CC1	REAL300013221531	0	46	0.0	-74.31	354.65	7.90	-66.41
C=CCN(CC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221532	0	46	0.0	-73.30	364.18	7.93	-65.37
CC(C)CN(CC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221533	0	51	0.0	-72.70	387.28	8.42	-64.28
C[NH+]1CCC(N2C=C(NC(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C=N2)CC1	REAL300013221534	0	53	0.0	-100.76	400.96	10.44	-90.32
C[NH+]1CCC(N2C=C(NC(=O)NC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013221535	0	45	0.0	-75.19	344.19	4.95	-70.24
C[NH+]1CCC(N2C=C(NC(=O)NC(C)(C(=O)[O-])C3CC3)C=N2)CC1	REAL300013221536	0	49	0.0	-91.20	367.01	6.60	-84.60
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CC=CS3)C=N2)CC1	REAL300013221537	0	46	0.0	-88.56	381.24	6.73	-81.83
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCCCC3)C=N2)CC1	REAL300013221538	0	52	0.0	-93.44	382.96	7.68	-85.76
CC(C)N(CC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221539	0	48	0.0	-74.34	361.51	7.63	-66.71
CCCN(CC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221540	0	48	0.0	-73.49	372.86	8.12	-65.37
CCN(CC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221541	0	45	0.0	-88.47	351.36	7.37	-81.10
C[NH+]1CCC(N2C=C(NC(=O)N[C@@H](CO)C(=O)[O-])C=N2)CC1	REAL300013221542	0	43	0.0	-91.89	343.05	1.41	-90.48
CC[C@H](C)[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221543	0	51	0.0	-89.28	383.02	6.52	-82.76
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCCC3)C=N2)CC1	REAL300013221544	0	49	0.0	-94.03	368.44	6.59	-87.44
C[NH+]1CCC(N2C=C(NC(=O)N(CC(=O)[O-])CC3=CC=C(F)C=C3)C=N2)CC1	REAL300013221545	0	52	0.0	-70.50	410.71	10.15	-60.35
CCC(C)(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221546	0	48	0.0	-90.07	357.57	5.84	-84.23
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)C=N2)CC1	REAL300013221547	0	53	0.0	-93.43	407.56	8.73	-84.70
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)C=N2)CC1	REAL300013221548	0	49	0.0	-90.23	400.23	7.87	-82.36
C[NH+]1CCC(N2C=C(NC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300013221549	0	52	0.0	-91.85	397.39	8.33	-83.52
CCN(CC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221550	0	45	0.0	-88.47	351.36	7.37	-81.10
CCCCCCC(C)(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221551	0	60	0.0	-90.53	443.57	8.93	-81.60
C[NH+]1CCC(N2C=C(NC(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])C=N2)CC1	REAL300013221552	0	47	0.0	-99.16	363.48	4.01	-95.15
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CC3)C=N2)CC1	REAL300013221553	0	43	0.0	-96.36	337.77	5.64	-90.72
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)C=N2)CC1	REAL300013221554	0	49	0.0	-86.74	406.10	8.25	-78.49
C[NH+]1CCC(N2C=C(NC(=O)N3CCOCC3C(=O)[O-])C=N2)CC1	REAL300013221555	0	47	0.0	-98.17	354.74	5.94	-92.23
CN(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C1(C(=O)[O-])CCCCC1	REAL300013221556	0	55	0.0	-94.54	392.22	9.05	-85.49
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3CC3)C=N2)CC1	REAL300013221557	0	46	0.0	-90.30	359.82	6.07	-84.23
C[NH+]1CCC(N2C=C(NC(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])C=N2)CC1	REAL300013221558	0	55	0.0	-74.49	432.77	11.15	-63.34
CN(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300013221559	0	52	0.0	-87.44	396.54	9.21	-78.23
COCCN(CC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221560	0	49	0.0	-73.93	382.74	6.55	-67.38
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCC4=CC=CC=C43)C=N2)CC1	REAL300013221561	0	53	0.0	-96.07	404.29	8.60	-87.47
C[NH+]1CCC(N2C=C(NC(=O)N3CCC[C@@H]3C(=O)[O-])C=N2)CC1	REAL300013221562	0	46	0.0	-96.59	352.99	7.14	-89.45
C[NH+]1CCC(N2C=C(NC(=O)N3CCCC[C@@H]3C(=O)[O-])C=N2)CC1	REAL300013221563	0	49	0.0	-100.83	363.27	8.33	-92.50
C[NH+]1CCC(N2C=C(NC(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=N2)CC1	REAL300013221564	0	47	0.0	-97.83	364.22	3.77	-94.06
C[C@H](C(=O)[O-])N(C)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221565	0	45	0.0	-83.16	343.96	6.52	-76.64
C[NH+]1CCC(N2C=C(NC(=O)N3CCC[C@H]3C(=O)[O-])C=N2)CC1	REAL300013221566	0	46	0.0	-96.52	353.03	7.15	-89.37
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCC3)C=N2)CC1	REAL300013221567	0	46	0.0	-95.09	354.57	6.17	-88.92
C=CCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221568	0	46	0.0	-88.37	366.49	6.09	-82.28
C[NH+]1CCC(N2C=C(NC(=O)N3CCCC3(C)C(=O)[O-])C=N2)CC1	REAL300013221569	0	49	0.0	-95.70	369.27	7.94	-87.76
C[NH+]1CCC(N2C=C(NC(=O)N3CCCCCC3C(=O)[O-])C=N2)CC1	REAL300013221570	0	52	0.0	-99.99	376.38	8.98	-91.01
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3CC3)C=N2)CC1	REAL300013221571	0	46	0.0	-90.30	359.82	6.07	-84.23
CC(C(=O)[O-])N(C)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221572	0	45	0.0	-83.48	344.46	6.62	-76.86
CCCCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221573	0	51	0.0	-89.04	396.43	7.11	-81.93
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CC=CC(O)=C3)C=N2)CC1	REAL300013221574	0	50	0.0	-91.06	400.39	4.86	-86.20
C[NH+]1CCC(N2C=C(NC(=O)N(CCC3=CC=CC=C3)CC(=O)[O-])C=N2)CC1	REAL300013221575	0	55	0.0	-74.49	432.77	11.15	-63.34
C[NH+]1CCC(N2C=C(NC(=O)N3CCC[C@@]3(C)C(=O)[O-])C=N2)CC1	REAL300013221576	0	49	0.0	-96.14	369.33	7.93	-88.21
CN(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C1(C(=O)[O-])CCCCC1	REAL300013221577	0	55	0.0	-94.54	392.22	9.05	-85.49
C[NH+]1CCC(N2C=C(NC(=O)N(CC(=O)[O-])C3CCCC3)C=N2)CC1	REAL300013221578	0	52	0.0	-73.07	387.73	8.93	-64.14
COCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221579	0	46	0.0	-90.44	365.18	3.86	-86.58
CCCCCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221580	0	54	0.0	-89.00	417.95	7.91	-81.09
C[NH+]1CCC(N2C=C(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N2)CC1	REAL300013221581	0	51	0.0	-90.51	384.23	6.68	-83.83
CCC1CCC(NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)(C(=O)[O-])CC1	REAL300013221582	0	58	0.0	-93.68	422.02	8.93	-84.75
C[NH+]1CCC(N2C=C(NC(=O)N(CC(=O)[O-])C3CCOCC3)C=N2)CC1	REAL300013221583	0	53	0.0	-73.19	396.15	7.26	-65.93
CN(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C1(C(=O)[O-])CCCC1	REAL300013221584	0	52	0.0	-96.03	378.88	8.29	-87.74
CC(C(=O)[O-])N(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C1CC1	REAL300013221585	0	49	0.0	-74.51	369.83	7.96	-66.55
CCC(C(=O)[O-])N(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C1CC1	REAL300013221586	0	52	0.0	-73.45	391.31	9.24	-64.21
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3Cl)C=N2)CC1	REAL300013221587	0	49	0.0	-92.03	400.37	8.11	-83.92
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3F)C=N2)CC1	REAL300013221588	0	49	0.0	-95.97	393.78	7.80	-88.17
C[NH+]1CCC(N2C=C(NC(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])C=N2)CC1	REAL300013221589	0	53	0.0	-76.11	404.54	10.06	-66.05
CC1=CC=CC(C(NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(=O)[O-])=C1C	REAL300013221590	0	55	0.0	-90.58	418.64	8.67	-81.91
CCCN(CC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221591	0	48	0.0	-73.49	372.86	8.12	-65.37
COCC(C(=O)[O-])N(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C1CC1	REAL300013221592	0	53	0.0	-76.32	400.82	7.60	-68.72
CC(C(=O)[O-])N(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C1CCC1	REAL300013221593	0	52	0.0	-74.70	385.24	8.41	-66.29
CCCN(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(COC)C(=O)[O-]	REAL300013221594	0	55	0.0	-86.36	411.16	7.82	-78.54
CCCN(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(CC)C(=O)[O-]	REAL300013221595	0	54	0.0	-84.31	399.14	8.99	-75.32
CC(C)C[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221596	0	51	0.0	-88.70	391.90	6.98	-81.72
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCOCC3)C=N2)CC1	REAL300013221597	0	50	0.0	-92.67	374.38	5.19	-87.48
C=CCCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221598	0	49	0.0	-88.82	387.74	6.90	-81.92
C[NH+]1CCC(N2C=C(NC(=O)NC(CF)C(=O)[O-])C=N2)CC1	REAL300013221599	0	42	0.0	-75.78	335.26	4.56	-71.22
CCC(CC)(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221600	0	51	0.0	-90.85	374.24	6.72	-84.13
COC1=CC=C(C(NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(=O)[O-])C=C1	REAL300013221601	0	53	0.0	-90.48	419.11	6.95	-83.53
CCC(COC)(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221602	0	52	0.0	-95.21	392.52	6.03	-89.18
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCS(=O)(=O)CC3)C=N2)CC1	REAL300013221603	0	52	0.0	-93.98	399.43	3.67	-90.31
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3CC3)C(=O)[O-])C=N2)CC1	REAL300013221604	0	49	0.0	-88.78	385.33	7.07	-81.71
COCCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221605	0	49	0.0	-88.90	387.11	4.63	-84.27
C[NH+]1CCC(N2C=C(NC(=O)NC(CC(F)F)C(=O)[O-])C=N2)CC1	REAL300013221606	0	45	0.0	-84.23	364.05	6.09	-78.14
CCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013221607	0	55	0.0	-92.65	414.30	9.19	-83.46
COC1CCCC(C(NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(=O)[O-])C1	REAL300013221608	0	59	0.0	-95.39	439.66	6.78	-88.61
C[NH+]1CCC(N2C=C(NC(=O)NC(CCF)C(=O)[O-])C=N2)CC1	REAL300013221609	0	45	0.0	-87.03	359.78	5.77	-81.26
COC1(CC(NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(=O)[O-])CCC1	REAL300013221610	0	56	0.0	-91.42	425.18	6.58	-84.84
C[NH+]1CCC(N2C=C(NC(=O)N(CC(=O)[O-])C3CCOCC3)C=N2)CC1	REAL300013221611	0	53	0.0	-73.19	396.15	7.26	-65.93
C[NH+]1CCC(N2C=C(NC(=O)N(CC(=O)[O-])C3CCCCC3)C=N2)CC1	REAL300013221612	0	55	0.0	-73.55	405.11	9.65	-63.90
C[C@H]1CC[C@@](NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)(C(=O)[O-])CC1	REAL300013221613	0	55	0.0	-93.64	396.77	8.06	-85.58
COC1=CC=CC(C(NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(=O)[O-])=C1	REAL300013221614	0	53	0.0	-93.13	418.87	7.01	-86.12
C[NH+]1CCC(N2C=C(NC(=O)NC(C)(CCF)C(=O)[O-])C=N2)CC1	REAL300013221615	0	48	0.0	-86.68	364.16	5.98	-80.70
C[NH+]1CCC(N2C=C(NC(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])C=N2)CC1	REAL300013221616	0	50	0.0	-76.83	387.15	8.24	-68.59
COC1=CC=CC([C@H](NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(=O)[O-])=C1	REAL300013221617	0	53	0.0	-93.54	419.07	6.93	-86.61
C[C@@H](C(=O)[O-])N(C)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221618	0	45	0.0	-83.95	343.40	6.56	-77.39
COC(=O)C1CCC(C(=O)[O-])N(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C1	REAL300013221619	0	55	0.0	-99.64	418.26	9.20	-90.44
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)C=N2)CC1	REAL300013221620	0	58	0.0	-95.16	410.86	8.56	-86.60
C[NH+]1CCC(N2C=C(NC(=O)N3CC4CC3(C(=O)[O-])C4)C=N2)CC1	REAL300013221621	0	47	0.0	-102.70	359.46	7.99	-94.71
COC1CN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(C)(C(=O)[O-])C1	REAL300013221622	0	53	0.0	-95.42	402.60	6.91	-88.51
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3CCCOC3)C(=O)[O-])C=N2)CC1	REAL300013221623	0	56	0.0	-87.94	420.37	7.16	-80.78
C[NH+]1CCC(N2C=C(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N2)CC1	REAL300013221624	0	51	0.0	-90.51	384.23	6.68	-83.83
C=C(Cl)CC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221625	0	46	0.0	-84.78	381.68	6.76	-78.02
C=C(C)CC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221626	0	49	0.0	-89.29	386.34	6.94	-82.35
C[NH+]1CCC(N2C=C(NC(=O)N3C4CCC3(C(=O)[O-])CC4)C=N2)CC1	REAL300013221627	0	50	0.0	-104.94	374.20	8.80	-96.14
C[NH+]1CCC(N2C=C(NC(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])C=N2)CC1	REAL300013221628	0	47	0.0	-97.85	364.25	3.76	-94.09
C[NH+]1CCC(N2C=C(NC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=N2)CC1	REAL300013221629	0	46	0.0	-89.19	365.22	7.56	-81.63
C[NH+]1CCC(N2C=C(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=N2)CC1	REAL300013221630	0	46	0.0	-92.95	358.71	7.48	-85.47
C=C1C[C@@H](C(=O)[O-])N(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C1	REAL300013221631	0	47	0.0	-96.35	366.44	7.54	-88.81
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3CCOCC3)C(=O)[O-])C=N2)CC1	REAL300013221632	0	56	0.0	-89.90	424.90	6.39	-83.51
CC(C)C[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221633	0	51	0.0	-88.70	391.90	6.98	-81.72
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3CCOCC3)C=N2)CC1	REAL300013221634	0	53	0.0	-92.93	397.93	5.36	-87.57
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300013221635	0	49	0.0	-90.71	389.37	7.73	-82.98
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3CC3)C(=O)[O-])C=N2)CC1	REAL300013221636	0	49	0.0	-88.78	385.33	7.07	-81.71
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3=CN=CS3)C(=O)[O-])C=N2)CC1	REAL300013221637	0	48	0.0	-87.06	397.59	5.77	-81.29
CC(C)CCCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221638	0	57	0.0	-88.66	435.26	8.47	-80.19
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3CCCO3)C(=O)[O-])C=N2)CC1	REAL300013221639	0	53	0.0	-93.30	409.39	6.02	-87.28
C[C@@H](O)[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221640	0	46	0.0	-91.42	359.71	2.68	-88.74
CSCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221641	0	46	0.0	-87.15	377.15	5.91	-81.24
COC[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221642	0	46	0.0	-90.60	365.30	3.82	-86.78
CC[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221643	0	45	0.0	-89.24	353.44	5.57	-83.67
C[NH+]1CCC(N2C=C(NC(=O)N[C@H](CC3=CC=C(F)C=C3)C(=O)[O-])C=N2)CC1	REAL300013221644	0	52	0.0	-87.89	418.04	8.72	-79.17
CCC(C)CC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221645	0	54	0.0	-88.95	410.14	7.59	-81.36
C=CCCCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221646	0	52	0.0	-88.72	409.00	7.74	-80.98
C[NH+]1CCC(N2C=C(NC(=O)N[C@@H](CC3=CC=C(F)C=C3)C(=O)[O-])C=N2)CC1	REAL300013221647	0	52	0.0	-88.65	418.22	8.66	-79.99
C[NH+]1CCC(N2C=C(NC(=O)N3CCSCC3C(=O)[O-])C=N2)CC1	REAL300013221648	0	47	0.0	-98.05	363.14	8.33	-89.72
C[NH+]1CCC(N2C=C(NC(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300013221649	0	52	0.0	-91.85	397.39	8.33	-83.52
C[NH+]1CCC(N2C=C(NC(=O)N3CCC[C@@H]3C(=O)[O-])C=N2)CC1	REAL300013221650	0	46	0.0	-96.59	352.99	7.14	-89.45
CCCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221651	0	48	0.0	-88.70	374.71	6.40	-82.30
CC(C)[C@@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221652	0	48	0.0	-89.66	370.49	6.14	-83.52
C[NH+]1CCC(N2C=C(NC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])C=N2)CC1	REAL300013221653	0	50	0.0	-104.15	374.18	8.93	-95.22
CCN(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(C)(C)C(=O)[O-]	REAL300013221654	0	51	0.0	-93.42	378.16	8.25	-85.17
CCCN(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(C)C(=O)[O-]	REAL300013221655	0	51	0.0	-84.63	382.56	8.09	-76.54
CCC[C@@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221656	0	48	0.0	-88.33	374.70	6.40	-81.93
C[NH+]1CCC(N2C=C(NC(=O)N3CCOC4=CC=CC=C4C3C(=O)[O-])C=N2)CC1	REAL300013221657	0	54	0.0	-83.85	409.07	8.76	-75.09
C[NH+]1CCC(N2C=C(NC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])C=N2)CC1	REAL300013221658	0	50	0.0	-72.49	375.63	8.41	-64.08
C[NH+]1CCC(N2C=C(NC(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300013221659	0	49	0.0	-91.07	389.63	7.65	-83.42
CN(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(C)(C)C(=O)[O-]	REAL300013221660	0	48	0.0	-93.57	358.67	7.35	-86.22
C[NH+]1CCC(N2C=C(NC(=O)N3CCC[C@H]3C(=O)[O-])C=N2)CC1	REAL300013221661	0	46	0.0	-96.52	353.03	7.15	-89.37
C[NH+]1CCC(N2C=C(NC(=O)N[C@@H](CC3=CNC=N3)C(=O)[O-])C=N2)CC1	REAL300013221662	0	49	0.0	-99.47	393.09	6.02	-93.45
C[NH+]1CCC(N2C=C(NC(=O)N[C@@H](CC3=CN=CN3)C(=O)[O-])C=N2)CC1	REAL300013221662	1	49	0.0	-88.82	392.44	6.08	-82.74
CCC(C)CC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221664	0	54	0.0	-88.95	410.14	7.59	-81.36
C#CCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221665	0	44	0.0	-88.20	359.72	5.99	-82.21
C[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221666	0	55	0.0	-68.64	419.72	11.13	-57.51
CC(C(=O)[O-])N(C)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221667	0	45	0.0	-83.48	344.46	6.62	-76.86
CC(C)=CCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221668	0	52	0.0	-89.03	405.88	7.54	-81.49
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3=CC=NC=C3)C(=O)[O-])C=N2)CC1	REAL300013221669	0	51	0.0	-89.37	406.75	6.88	-82.49
CC(C)OCC(C(=O)[O-])N(C)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221670	0	55	0.0	-85.04	416.09	7.62	-77.42
CC(C)CC(C(=O)[O-])N(C)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221671	0	54	0.0	-85.37	403.61	8.99	-76.38
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CC=CC=N3)C=N2)CC1	REAL300013221672	0	48	0.0	-90.73	385.75	6.14	-84.59
CCCC1(C(=O)[O-])CCCN1C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221673	0	55	0.0	-97.27	406.64	9.86	-87.41
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221674	0	55	0.0	-69.10	421.06	11.24	-57.86
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3=CC=NC=C3)C(=O)[O-])C=N2)CC1	REAL300013221677	0	51	0.0	-89.37	406.75	6.88	-82.49
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CC=CN=C3)C=N2)CC1	REAL300013221678	0	48	0.0	-88.75	384.49	5.86	-82.89
COCC1(C(=O)[O-])CCCN1C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221679	0	53	0.0	-96.38	398.61	8.14	-88.24
CC1=CC=CC2=C1CC(C(=O)[O-])N2C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221680	0	53	0.0	-71.41	405.69	10.44	-60.97
C[C@H]1CC2=CC=CC=C2N(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)[C@H]1C(=O)[O-]	REAL300013221681	0	56	0.0	-76.40	416.61	10.71	-65.69
C[NH+]1CCC(N2C=C(NC(=O)NC(CCC3=CC=NC=C3)C(=O)[O-])C=N2)CC1	REAL300013221682	0	54	0.0	-90.28	429.72	7.60	-82.68
C=CCCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221683	0	49	0.0	-88.82	387.74	6.90	-81.92
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3=NC=CS3)C(=O)[O-])C=N2)CC1	REAL300013221684	0	48	0.0	-92.31	398.41	5.58	-86.73
CC#CCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221685	0	47	0.0	-88.64	381.30	7.00	-81.64
CN1CC(C(=O)[O-])N(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)CC1=O	REAL300013221686	0	50	0.0	-91.62	380.35	6.59	-85.03
C[NH+]1CCC(N2C=C(NC(=O)N3CCC[C@]3(C)C(=O)[O-])C=N2)CC1	REAL300013221687	0	49	0.0	-96.19	369.31	7.95	-88.24
CC(C)[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221688	0	48	0.0	-89.70	366.13	5.89	-83.81
C[NH+]1CCC(N2C=C(NC(=O)N[C@H](C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300013221689	0	49	0.0	-91.07	389.57	7.64	-83.43
C[NH+]1CCC(N2C=C(NC(=O)NC(C)(CN3C=CC=N3)C(=O)[O-])C=N2)CC1	REAL300013221690	0	52	0.0	-93.81	399.07	6.88	-86.93
C[C@@H](C(=O)[O-])N(C)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221691	0	45	0.0	-83.95	343.40	6.56	-77.39
CCC[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221692	0	48	0.0	-88.31	374.70	6.40	-81.91
CCN(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(C)C(=O)[O-]	REAL300013221693	0	48	0.0	-83.77	360.63	7.29	-76.48
C[NH+]1CCC(N2C=C(NC(=O)N(CC(=O)[O-])C3CCCC3)C=N2)CC1	REAL300013221694	0	52	0.0	-73.07	387.73	8.93	-64.14
CC[C@H](C)[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221695	0	51	0.0	-89.28	383.02	6.52	-82.76
CC[C@@H](C(=O)[O-])N(C)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221696	0	48	0.0	-83.47	365.06	7.75	-75.72
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CC(CO)C3)C=N2)CC1	REAL300013221697	0	50	0.0	-95.48	386.85	3.44	-92.04
CCN(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300013221698	0	58	0.0	-92.63	434.68	11.44	-81.19
C[C@@H](OC(C)(C)C)[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221699	0	58	0.0	-90.61	436.14	6.91	-83.70
CC1CCC(NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)(C(=O)[O-])C1	REAL300013221700	0	52	0.0	-94.40	389.50	7.19	-87.21
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCCC3(C)C)C=N2)CC1	REAL300013221701	0	55	0.0	-94.38	399.05	7.95	-86.43
COCCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221702	0	49	0.0	-88.90	387.11	4.63	-84.27
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=N2)CC1	REAL300013221703	0	52	0.0	-96.21	390.78	7.86	-88.35
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3(C)CC3)C=N2)CC1	REAL300013221704	0	49	0.0	-90.50	374.90	6.91	-83.59
C[C@H](OC(C)(C)C)[C@@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221705	0	58	0.0	-91.21	437.78	6.80	-84.41
C[NH+]1CCC(N2C=C(NC(=O)N3CC[C@H](O)[C@@H]3C(=O)[O-])C=N2)CC1	REAL300013221706	0	47	0.0	-102.59	362.90	3.93	-98.66
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3CCOC3)C=N2)CC1	REAL300013221707	0	50	0.0	-88.25	380.67	4.51	-83.74
C[NH+]1CCC(N2C=C(NC(=O)N3CC[C@@H]4CC[C@@]43C(=O)[O-])C=N2)CC1	REAL300013221708	0	50	0.0	-101.21	374.27	8.52	-92.69
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3=CNC4=CC=CC=C34)C=N2)CC1	REAL300013221709	0	53	0.0	-97.37	421.13	7.73	-89.64
C[NH+]1CCC(N2C=C(NC(=O)N3CC4CC3(C(=O)[O-])CO4)C=N2)CC1	REAL300013221710	0	48	0.0	-98.09	366.79	6.19	-91.90
CC1CCC(C(=O)[O-])N(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C1	REAL300013221711	0	52	0.0	-101.64	384.40	9.18	-92.46
CC(C1=CC=CC=C1)C(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221712	0	55	0.0	-88.93	426.76	8.91	-80.02
CN(C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C1(C(=O)[O-])CC1	REAL300013221713	0	46	0.0	-99.49	351.37	7.61	-91.88
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])C=N2)CC1	REAL300013221714	0	56	0.0	-89.76	426.13	8.71	-81.05
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3CCC3)C=N2)CC1	REAL300013221715	0	49	0.0	-90.37	380.22	6.62	-83.75
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3CCCCC3)C=N2)CC1	REAL300013221716	0	55	0.0	-90.34	406.52	7.85	-82.49
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3CCC3)C=N2)CC1	REAL300013221717	0	49	0.0	-90.37	380.22	6.62	-83.75
CC1CCN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C1C(=O)[O-]	REAL300013221718	0	49	0.0	-97.10	372.79	7.98	-89.12
C=CCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221719	0	46	0.0	-88.37	366.49	6.09	-82.28
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3CCCCO3)C(=O)[O-])C=N2)CC1	REAL300013221720	0	56	0.0	-88.47	425.68	7.29	-81.18
C[NH+]1CCC(N2C=C(NC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)C=N2)CC1	REAL300013221721	0	56	0.0	-70.12	399.22	9.22	-60.90
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCOC(C)(C)C3)C=N2)CC1	REAL300013221722	0	56	0.0	-93.44	403.48	6.47	-86.97
CC1=CC=CC2=C1CCN(C(=O)NC1=CN(C3CC[NH+](C)CC3)N=C1)C2C(=O)[O-]	REAL300013221723	0	56	0.0	-78.35	421.98	10.60	-67.75
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3CC=CCC3)C(=O)[O-])C=N2)CC1	REAL300013221724	0	56	0.0	-89.76	426.13	8.71	-81.05
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])C=N2)CC1	REAL300013221725	0	52	0.0	-91.48	418.04	8.72	-82.76
COC1CC(NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)(C(=O)[O-])C1	REAL300013221726	0	50	0.0	-91.24	386.29	5.03	-86.21
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CC(F)(F)C3)C=N2)CC1	REAL300013221727	0	46	0.0	-93.20	363.00	6.19	-87.01
CO[C@H]1C[C@](NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)(C(=O)[O-])C1	REAL300013221728	0	50	0.0	-91.08	386.16	5.03	-86.05
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3(C(F)(F)F)CC3)C=N2)CC1	REAL300013221729	0	49	0.0	-90.25	391.40	7.36	-82.89
CCC1(C(=O)[O-])CCCN1C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221730	0	52	0.0	-96.54	383.04	8.88	-87.66
C[NH+]1CCC(N2C=C(NC(=O)NC(CC(F)(F)F)C(=O)[O-])C=N2)CC1	REAL300013221731	0	45	0.0	-83.27	369.14	6.34	-76.93
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3CCOC3)C(=O)[O-])C=N2)CC1	REAL300013221732	0	53	0.0	-90.62	407.01	5.65	-84.97
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])COC3)C=N2)CC1	REAL300013221733	0	44	0.0	-88.75	345.39	3.20	-85.55
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3=CC=CS3)C(=O)[O-])C=N2)CC1	REAL300013221734	0	49	0.0	-88.52	404.05	7.59	-80.93
CC(C)C(C)(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221735	0	51	0.0	-90.23	372.50	6.46	-83.77
C[NH+]1CCC(N2C=C(NC(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=N2)CC1	REAL300013221736	0	47	0.0	-100.56	358.28	8.47	-92.09
C[NH+]1CCC(N2C=C(NC(=O)N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])C=N2)CC1	REAL300013221737	0	50	0.0	-98.52	375.43	8.20	-90.32
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221738	0	55	0.0	-69.10	421.06	11.24	-57.86
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3CCCCC3)C(=O)[O-])C=N2)CC1	REAL300013221739	0	58	0.0	-88.80	432.93	8.79	-80.01
C[NH+]1CCC(N2C=C(NC(=O)N[C@@H](CCC3=CC=CC=C3)C(=O)[O-])C=N2)CC1	REAL300013221740	0	55	0.0	-90.16	434.85	9.36	-80.80
C[NH+]1CCC(N2C=C(NC(=O)N[C@H](CCC3=CC=CC=C3)C(=O)[O-])C=N2)CC1	REAL300013221741	0	55	0.0	-89.39	434.61	9.42	-79.97
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3CC4CCC3C4)C=N2)CC1	REAL300013221742	0	56	0.0	-91.58	415.73	8.22	-83.36
C[NH+]1CCC(N2C=C(NC(=O)N[C@H](CC3CCCCC3)C(=O)[O-])C=N2)CC1	REAL300013221743	0	58	0.0	-89.83	433.80	8.78	-81.05
C[NH+]1CCC(N2C=C(NC(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])C=N2)CC1	REAL300013221744	0	58	0.0	-89.02	433.57	8.85	-80.17
C[NH+]1CCC(N2C=C(NC(=O)N3CC4(CCCC4)CC3C(=O)[O-])C=N2)CC1	REAL300013221745	0	56	0.0	-71.83	414.86	9.34	-62.49
C[NH+]1CCC(N2C=C(NC(=O)N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])C=N2)CC1	REAL300013221746	0	56	0.0	-99.55	413.40	9.25	-90.30
C=CCSCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221747	0	50	0.0	-87.13	411.43	7.37	-79.76
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3=CC=C(C#N)C=C3)C(=O)[O-])C=N2)CC1	REAL300013221748	0	53	0.0	-88.52	431.81	9.00	-79.52
CCC(C(=O)[O-])N(CC)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221749	0	51	0.0	-84.23	377.64	8.26	-75.97
COC1(C(NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(=O)[O-])CCC1	REAL300013221750	0	53	0.0	-86.41	400.38	5.21	-81.20
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCC(C(F)F)CC3)C=N2)CC1	REAL300013221751	0	55	0.0	-94.06	415.36	8.51	-85.55
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCC4=CC=CC=C4C3)C=N2)CC1	REAL300013221752	0	56	0.0	-94.50	420.92	9.61	-84.89
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CC(C(F)F)C3)C=N2)CC1	REAL300013221753	0	49	0.0	-95.99	386.81	6.96	-89.03
CC(C)C1=CC=C(C(NC(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C(=O)[O-])C=C1	REAL300013221755	0	58	0.0	-90.30	449.60	9.66	-80.64
C[NH+]1CCC(N2C=C(NC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=N2)CC1	REAL300013221756	0	46	0.0	-92.95	358.71	7.48	-85.47
C[NH+]1CCC(N2C=C(NC(=O)N3C4C=CC(C4)C3C(=O)[O-])C=N2)CC1	REAL300013221757	0	48	0.0	-70.94	367.08	8.28	-62.66
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C)(C)C3C(=O)[O-])C=N2)CC1	REAL300013221758	0	52	0.0	-97.34	384.53	8.33	-89.01
C[NH+]1CCC(N2C=C(NC(=O)N3CC4(CCC4)CCC3C(=O)[O-])C=N2)CC1	REAL300013221759	0	56	0.0	-102.29	407.64	10.22	-92.07
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3CCC4=CC=CC=C43)C=N2)CC1	REAL300013221760	0	56	0.0	-89.80	430.06	9.53	-80.27
CC(C)CCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221761	0	54	0.0	-88.84	413.76	7.70	-81.14
C[NH+]1CCC(N2C=C(NC(=O)N3CC4(CCC4)CC3C(=O)[O-])C=N2)CC1	REAL300013221762	0	53	0.0	-71.69	399.07	8.87	-62.82
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3CCOC3)C(=O)[O-])C=N2)CC1	REAL300013221763	0	53	0.0	-90.62	407.01	5.65	-84.97
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C1	REAL300013221764	0	50	0.0	-93.74	395.52	8.56	-85.18
C[C@H](O)[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221765	0	46	0.0	-82.68	357.39	2.10	-80.58
C[NH+]1CCC(N2C=C(NC(=O)N[C@@H](CO)C(=O)[O-])C=N2)CC1	REAL300013221766	0	43	0.0	-91.89	343.05	1.41	-90.48
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCCC4CC43)C=N2)CC1	REAL300013221767	0	53	0.0	-95.49	388.78	8.31	-87.18
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CCC4CC43)C=N2)CC1	REAL300013221768	0	50	0.0	-95.64	375.93	7.41	-88.23
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CC4(CCC4)C3)C=N2)CC1	REAL300013221769	0	53	0.0	-94.58	397.16	7.78	-86.80
C[NH+]1CCC(N2C=C(NC(=O)N3CC4(CC3C(=O)[O-])CCCCC4)C=N2)CC1	REAL300013221770	0	59	0.0	-71.53	428.12	9.86	-61.67
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3CCCC3)C=N2)CC1	REAL300013221771	0	52	0.0	-90.84	396.88	7.29	-83.55
CO[C@H](C)[C@H](NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221772	0	49	0.0	-89.86	383.45	4.81	-85.05
CC1[C@@H](C)[C@@]1(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221773	0	49	0.0	-98.03	376.43	7.18	-90.85
C[NH+]1CCC(N2C=C(NC(=O)N(CC(=O)[O-])CC3=CC=CC=C3)C=N2)CC1	REAL300013221774	0	52	0.0	-74.17	410.38	10.37	-63.80
C[NH+]1CCC(N2C=C(NC(=O)N3CC(C)(C)CC3C(=O)[O-])C=N2)CC1	REAL300013221775	0	52	0.0	-71.21	392.02	8.18	-63.03
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(F)(F)CC3C(=O)[O-])C=N2)CC1	REAL300013221776	0	49	0.0	-97.61	374.37	8.49	-89.12
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(F)(F)C3C(=O)[O-])C=N2)CC1	REAL300013221777	0	46	0.0	-98.79	363.88	7.52	-91.27
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3=CC=CC(F)=C3)C(=O)[O-])C=N2)CC1	REAL300013221778	0	52	0.0	-91.48	418.04	8.72	-82.76
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3=CSC=C3)C(=O)[O-])C=N2)CC1	REAL300013221779	0	49	0.0	-88.80	401.86	7.53	-81.27
C[NH+]1CCC(N2C=C(NC(=O)N3CC(F)(F)CC3(C)C(=O)[O-])C=N2)CC1	REAL300013221780	0	49	0.0	-88.43	381.39	8.05	-80.38
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CC4(CC(F)(F)C4)C3)C=N2)CC1	REAL300013221781	0	53	0.0	-94.90	416.38	8.21	-86.69
C[NH+]1CCC(N2C=C(NC(=O)NC(CC3=CSC=C3)C(=O)[O-])C=N2)CC1	REAL300013221782	0	49	0.0	-88.80	401.86	7.53	-81.27
C[NH+]1CCC(N2C=C(NC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=N2)CC1	REAL300013221783	0	53	0.0	-99.28	389.70	8.53	-90.75
C[NH+]1CCC(N2C=C(NC(=O)N[C@@H](C(=O)[O-])C3=CC=C(O)C=C3)C=N2)CC1	REAL300013221784	0	50	0.0	-89.25	400.63	4.78	-84.47
COCCCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221785	0	52	0.0	-88.80	408.61	5.40	-83.40
CCCC(C(=O)[O-])N(C)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221786	0	51	0.0	-83.86	385.90	8.36	-75.50
CCOCC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013221787	0	49	0.0	-91.01	387.16	4.78	-86.23
C[NH+]1CCC(N2C=C(NC(=O)NC(CC(C)(C)C)C(=O)[O-])C=N2)CC1	REAL300013221788	0	54	0.0	-89.63	404.27	7.97	-81.66
C[NH+]1CCC(N2C=C(NC(=O)NC(C(=O)[O-])C3CCCCO3)C=N2)CC1	REAL300013221789	0	53	0.0	-91.54	404.69	6.13	-85.41
C[NH+]1CCC(N2C=C(NC(=O)NC3(C(=O)[O-])CC4=CC=CC=C4C3)C=N2)CC1	REAL300013221790	0	53	0.0	-93.43	407.56	8.73	-84.70
C[C@H]1OCCN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)[C@@H]1C(=O)[O-]	REAL300013221791	0	50	0.0	-98.14	374.27	6.64	-91.50
C[NH+]1CCC(N2C=C(NC(=O)NC(CCC#N)C(=O)[O-])C=N2)CC1	REAL300013221792	0	46	0.0	-89.24	374.28	6.07	-83.17
C[NH+]1CCC(N2C=C(NC(=O)N(CC(=O)[O-])CC3=CC=CO3)C=N2)CC1	REAL300013221793	0	49	0.0	-75.76	386.44	8.27	-67.49
C[C@H](C(=O)[O-])N(C)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013221794	0	45	0.0	-83.16	343.96	6.52	-76.64
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C1	REAL300013221795	0	53	0.0	-97.30	408.09	7.11	-90.19
COC1=CC=CC(CC2=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S2)=C1	REAL300013221913	0	48	0.0	-64.47	405.57	8.00	-56.47
COC1=CC=CC(CC2=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S2)=C1	REAL300013221920	0	48	0.0	-64.47	405.57	8.00	-56.47
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC(F)F	REAL300013222229	0	42	0.0	-64.25	345.72	5.78	-58.47
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1OC(F)F	REAL300013222241	0	49	0.0	-60.32	386.97	7.66	-52.66
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1OC(F)F	REAL300013222242	0	42	0.0	-64.25	345.72	5.78	-58.47
CC1=CC(OC(F)F)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013222557	0	42	0.0	-62.22	344.11	5.99	-56.23
CC1=CC(OC(F)F)=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013222569	0	49	0.0	-57.12	384.15	7.74	-49.38
CC1=CC(OC(F)F)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013222570	0	42	0.0	-62.22	344.11	5.99	-56.23
CCC1CCCC2=C1N=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S2	REAL300013222874	0	47	0.0	-54.54	371.00	8.08	-46.46
CCC1CCCC2=C1N=C(NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-])S2	REAL300013222886	0	54	0.0	-51.70	412.30	9.96	-41.74
CCC1CCCC2=C1N=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S2	REAL300013222887	0	47	0.0	-54.54	371.00	8.08	-46.46
CC(C)C1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(Cl)=C1	REAL300013223188	0	44	0.0	-54.66	361.06	8.11	-46.55
CC(C)C1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C(Cl)=C1	REAL300013223199	0	51	0.0	-51.02	402.73	9.89	-41.13
CC(C)C1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C(Cl)=C1	REAL300013223200	0	44	0.0	-54.66	361.06	8.11	-46.55
CN(C)S(=O)(=O)CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013223465	0	49	0.0	-65.57	404.48	4.37	-61.20
CN(C)S(=O)(=O)CC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013223473	0	49	0.0	-65.57	404.48	4.37	-61.20
C[NH+](C)CC(NC(=O)NC1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300013223710	0	42	0.0	-63.29	343.83	5.91	-57.38
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OCCF)C=C1	REAL300013223720	0	49	0.0	-57.13	385.70	7.61	-49.52
C[NH+](C)CC(NC(=O)NC1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300013223721	0	42	0.0	-63.29	343.83	5.91	-57.38
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300013224023	0	40	0.0	-58.52	344.73	6.11	-52.41
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C(=O)C(F)(F)F)=C1	REAL300013224035	0	47	0.0	-63.23	386.51	8.15	-55.08
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300013224036	0	40	0.0	-58.52	344.73	6.11	-52.41
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(S(N)(=O)=O)=C1	REAL300013224309	0	43	0.0	-61.77	361.97	1.08	-60.69
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC(S(N)(=O)=O)=C1	REAL300013224321	0	50	0.0	-60.53	402.41	2.95	-57.58
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(S(N)(=O)=O)=C1	REAL300013224322	0	43	0.0	-61.77	361.97	1.08	-60.69
CC1=CC(C(F)(F)F)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013224610	0	41	0.0	-58.74	343.61	7.37	-51.37
CC1=CC(C(F)(F)F)=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013224622	0	48	0.0	-53.48	383.99	9.14	-44.34
CC1=CC(C(F)(F)F)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013224623	0	41	0.0	-58.74	343.61	7.37	-51.37
C[NH+](C)CC(NC(=O)NC1=CC=C(C(C)(C)C)N=C1)C(=O)[O-]	REAL300013224913	0	46	0.0	-58.57	360.40	6.21	-52.36
CC(C)(C)C1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=N1	REAL300013224923	0	53	0.0	-54.28	401.79	8.19	-46.09
C[NH+](C)CC(NC(=O)NC1=CC=C(C(C)(C)C)N=C1)C(=O)[O-]	REAL300013224924	0	46	0.0	-58.57	360.40	6.21	-52.36
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=N1)CCCCC2)C(=O)[O-]	REAL300013225235	0	47	0.0	-61.27	360.37	8.25	-53.02
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC2=C(C=N1)CCCCC2	REAL300013225246	0	54	0.0	-58.94	402.03	10.00	-48.94
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=N1)CCCCC2)C(=O)[O-]	REAL300013225247	0	47	0.0	-61.27	360.37	8.25	-53.02
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=NN1C1CCC1	REAL300013225520	0	49	0.0	-56.51	375.39	8.26	-48.25
O=C([O-])C1(NC(=O)NC2=CC=NN2C2CCC2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013225523	0	56	0.0	-63.76	423.93	11.19	-52.57
O=C([O-])C1(NC(=O)NC2=CC=NN2C2CCC2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013225523	1	56	0.0	-63.89	423.88	11.17	-52.72
C[NH+](C)CC(NC(=O)NC1=CC=NN1C1CN(C(=O)OC(C)(C)C)C1)C(=O)[O-]	REAL300013225726	0	56	0.0	-71.13	441.36	6.97	-64.16
C[NH+](C)CC(NC(=O)NC1=CC=NN1C1CN(C(=O)OC(C)(C)C)C1)C(=O)[O-]	REAL300013225729	0	56	0.0	-71.13	441.36	6.97	-64.16
CC(C)C1CCC2=C(C1)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N2	REAL300013225921	0	50	0.0	-61.51	392.64	8.39	-53.12
CC(C)C1CCC2=C(C1)SC(NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-])=N2	REAL300013225931	0	57	0.0	-58.98	434.05	10.26	-48.72
CC(C)C1CCC2=C(C1)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N2	REAL300013225932	0	50	0.0	-61.51	392.64	8.39	-53.12
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=NN1C1CCC1	REAL300013226173	0	49	0.0	-56.51	375.39	8.26	-48.25
O=C([O-])C1(NC(=O)NC2=CC=NN2C2CCC2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013226176	0	56	0.0	-63.76	423.93	11.19	-52.57
O=C([O-])C1(NC(=O)NC2=CC=NN2C2CCC2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013226176	1	56	0.0	-63.89	423.88	11.17	-52.72
C=C(C)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013226430	0	49	0.0	-56.99	383.87	9.22	-47.77
C=C(C)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013226433	0	56	0.0	-61.23	432.51	12.15	-49.08
C=C(C)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013226433	1	56	0.0	-61.12	432.26	12.15	-48.97
C[NH+](C)CC(NC(=O)NC1=CC=NN1C1CCOCC1)C(=O)[O-]	REAL300013226730	0	46	0.0	-60.47	360.78	5.32	-55.15
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=NN1C1CCOCC1	REAL300013226741	0	53	0.0	-56.16	402.41	7.20	-48.96
C[NH+](C)CC(NC(=O)NC1=CC=NN1C1CCOCC1)C(=O)[O-]	REAL300013226742	0	46	0.0	-60.47	360.78	5.32	-55.15
C#CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013226983	0	44	0.0	-56.68	354.75	8.49	-48.19
C#CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013226985	0	51	0.0	-53.51	397.37	10.98	-42.53
C#CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013226985	1	51	0.0	-64.23	403.33	11.47	-52.76
C[NH+](C)CC(NC(=O)NC1=CC=CC(COC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013227236	0	49	0.0	-58.11	397.39	8.77	-49.34
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300013227246	0	56	0.0	-54.49	438.48	10.57	-43.92
C[NH+](C)CC(NC(=O)NC1=CC=CC(COC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300013227247	0	49	0.0	-58.11	397.39	8.77	-49.34
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2CCCC(C)(C)C2)=C1)C(=O)[O-]	REAL300013227493	0	57	0.0	-59.87	421.63	10.18	-49.69
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2CCCC(C)(C)C2)=C1)C(=O)[O-]	REAL300013227503	0	57	0.0	-59.87	421.63	10.18	-49.69
COC1=CC=CC=C1OCC1=CSC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013227679	0	49	0.0	-58.56	409.71	6.87	-51.69
COC1=CC=CC=C1OCC1=CSC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013227682	0	49	0.0	-58.56	409.71	6.87	-51.69
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=NN1C1CC1	REAL300013227831	0	46	0.0	-57.05	359.61	7.70	-49.35
O=C([O-])C1(NC(=O)NC2=CC=NN2C2CC2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013227834	0	53	0.0	-55.72	401.80	10.16	-45.56
O=C([O-])C1(NC(=O)NC2=CC=NN2C2CC2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013227834	1	53	0.0	-64.33	407.75	10.62	-53.71
CN1CCOC2=C1C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2	REAL300013228115	0	45	0.0	-56.20	348.66	4.84	-51.36
CN1CCOC2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C21	REAL300013228126	0	52	0.0	-57.16	390.67	6.30	-50.86
CN1CCOC2=C1C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2	REAL300013228127	0	45	0.0	-56.20	348.66	4.84	-51.36
C[NH+](C)CC(NC(=O)NC1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228436	0	45	0.0	-55.43	365.95	5.54	-49.89
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC(CC2CCOC2)=CS1	REAL300013228448	0	52	0.0	-52.25	407.37	7.38	-44.87
C[NH+](C)CC(NC(=O)NC1=NC(CC2CCOC2)=CS1)C(=O)[O-]	REAL300013228449	0	45	0.0	-55.43	365.95	5.54	-49.89
COCCC1=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013228735	0	41	0.0	-61.73	349.82	4.74	-56.99
COCCC1=CN=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])S1	REAL300013228745	0	48	0.0	-58.35	390.89	6.60	-51.75
COCCC1=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013228746	0	41	0.0	-61.73	349.82	4.74	-56.99
CN1C=C(C2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)C=N1	REAL300013229066	0	45	0.0	-60.98	365.63	6.79	-54.19
CN1C=C(C2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2)C=N1	REAL300013229078	0	52	0.0	-58.89	407.83	8.52	-50.37
CN1C=C(C2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)C=N1	REAL300013229079	0	45	0.0	-60.98	365.63	6.79	-54.19
CC1=CC=CN2C=C(C3=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C3)N=C12	REAL300013229318	0	51	0.0	-76.62	413.19	10.23	-66.39
CC1=CC=CN2C=C(C3=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C3)N=C12	REAL300013229324	0	51	0.0	-76.62	413.19	10.23	-66.39
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC=C1Cl	REAL300013229504	0	42	0.0	-51.56	342.52	7.96	-43.60
O=C([O-])C1(NC(=O)NC2=CC=CC=C2Cl)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013229507	0	49	0.0	-57.44	389.92	10.90	-46.54
O=C([O-])C1(NC(=O)NC2=CC=CC=C2Cl)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013229507	1	49	0.0	-57.51	389.86	10.90	-46.61
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300013229770	0	40	0.0	-56.09	335.78	6.87	-49.22
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300013229780	0	47	0.0	-53.72	376.45	8.67	-45.05
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300013229781	0	40	0.0	-56.09	335.78	6.87	-49.22
C[NH+](C)CC(NC(=O)NC1=CC(F)=C(N2CCOCC2)C(F)=C1)C(=O)[O-]	REAL300013230044	0	48	0.0	-57.27	382.54	4.65	-52.62
C[NH+](C)CC(NC(=O)NC1=CC(F)=C(N2CCOCC2)C(F)=C1)C(=O)[O-]	REAL300013230052	0	48	0.0	-57.27	382.54	4.65	-52.62
CCC(=O)C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300013230307	0	43	0.0	-62.36	354.01	6.78	-55.58
CCC(=O)C1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1F	REAL300013230318	0	50	0.0	-57.98	394.50	8.69	-49.29
CCC(=O)C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300013230319	0	43	0.0	-62.36	354.01	6.78	-55.58
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300013230560	0	44	0.0	-59.03	374.82	8.07	-50.96
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300013230566	0	44	0.0	-59.03	374.82	8.07	-50.96
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(F)(F)CF)=C1)C(=O)[O-]	REAL300013230803	0	41	0.0	-59.16	346.15	7.13	-52.03
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C(F)(F)CF)=C1	REAL300013230815	0	48	0.0	-56.18	386.94	8.98	-47.20
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(F)(F)CF)=C1)C(=O)[O-]	REAL300013230816	0	41	0.0	-59.16	346.15	7.13	-52.03
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2(C)CC2)=C1)C(=O)[O-]	REAL300013231105	0	45	0.0	-56.59	352.02	8.00	-48.59
CC1(C2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C2)CC1	REAL300013231115	0	52	0.0	-53.09	393.32	9.81	-43.28
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2(C)CC2)=C1)C(=O)[O-]	REAL300013231116	0	45	0.0	-56.59	352.02	8.00	-48.59
C[NH+](C)CC(NC(=O)NC1=CC=C(C2(C)CC2)C=C1)C(=O)[O-]	REAL300013231408	0	45	0.0	-59.99	352.88	7.95	-52.04
CC1(C2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2)CC1	REAL300013231418	0	52	0.0	-55.88	394.22	9.72	-46.16
C[NH+](C)CC(NC(=O)NC1=CC=C(C2(C)CC2)C=C1)C(=O)[O-]	REAL300013231419	0	45	0.0	-59.99	352.88	7.95	-52.04
C[NH+](C)CC(NC(=O)NC1=NC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300013231659	0	40	0.0	-63.66	349.80	8.03	-55.63
C[NH+](C)CC(NC(=O)NC1=NC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300013231665	0	40	0.0	-63.66	349.80	8.03	-55.63
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCCS2(=O)=O)C=N1)C(=O)[O-]	REAL300013231853	0	46	0.0	-72.87	379.09	3.61	-69.26
C[NH+](C)CC(NC(=O)NC1=CC=C(N2CCCS2(=O)=O)C=N1)C(=O)[O-]	REAL300013231861	0	46	0.0	-72.87	379.09	3.61	-69.26
CN1N=C(C2CC2)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013232098	0	49	0.0	-57.30	379.35	8.14	-49.16
CN1N=C(C2CC2)C=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013232101	0	56	0.0	-56.20	421.91	10.57	-45.63
CN1N=C(C2CC2)C=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013232101	1	56	0.0	-64.91	427.84	11.04	-53.87
CCCN1N=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013232332	0	48	0.0	-55.98	370.95	7.67	-48.31
CCCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013232335	0	55	0.0	-63.14	419.50	10.59	-52.55
CCCN1N=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013232335	1	55	0.0	-54.64	413.46	10.10	-44.54
C[NH+](C)CC(NC(=O)NC1=CC=C(C2(C)CC2(F)F)C=C1)C(=O)[O-]	REAL300013232610	0	45	0.0	-59.28	364.07	8.16	-51.12
CC1(C2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2)CC1(F)F	REAL300013232622	0	52	0.0	-56.56	404.99	9.99	-46.57
C[NH+](C)CC(NC(=O)NC1=CC=C(C2(C)CC2(F)F)C=C1)C(=O)[O-]	REAL300013232623	0	45	0.0	-59.28	364.07	8.16	-51.12
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(=O)C(F)F)=C1)C(=O)[O-]	REAL300013232924	0	40	0.0	-71.32	337.83	6.07	-65.25
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C(=O)C(F)F)=C1	REAL300013232936	0	47	0.0	-66.96	380.26	8.04	-58.92
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(=O)C(F)F)=C1)C(=O)[O-]	REAL300013232937	0	40	0.0	-71.32	337.83	6.07	-65.25
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=CN=N2)C(Cl)=C1)C(=O)[O-]	REAL300013233183	0	44	0.0	-67.31	383.45	5.00	-62.31
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=CN=N2)C(Cl)=C1)C(=O)[O-]	REAL300013233190	0	44	0.0	-67.31	383.45	5.00	-62.31
CC(C)OC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C(F)(F)F	REAL300013233363	0	48	0.0	-57.58	393.22	7.40	-50.18
CC(C)OC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C(F)(F)F	REAL300013233370	0	48	0.0	-57.58	393.22	7.40	-50.18
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2CCOC2=C1	REAL300013233566	0	47	0.0	-54.40	362.69	7.17	-47.23
O=C([O-])C1(NC(=O)NC2=CC=C3CCOC3=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013233569	0	54	0.0	-52.95	405.99	9.62	-43.33
O=C([O-])C1(NC(=O)NC2=CC=C3CCOC3=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013233569	1	54	0.0	-61.83	411.93	10.11	-51.72
CC1=CC=C(N2CCCCC2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013233859	0	53	0.0	-58.69	397.23	7.68	-51.01
CC1=CC=C(N2CCCCC2)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013233871	0	60	0.0	-55.11	439.20	9.65	-45.46
CC1=CC=C(N2CCCCC2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013233872	0	53	0.0	-58.69	397.23	7.68	-51.01
CN1C=C(C2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2)C=N1	REAL300013234170	0	45	0.0	-61.21	365.63	6.80	-54.41
CN1C=C(C2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C2)C=N1	REAL300013234182	0	52	0.0	-58.03	407.31	8.59	-49.44
CN1C=C(C2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2)C=N1	REAL300013234183	0	45	0.0	-61.21	365.63	6.80	-54.41
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(=O)C(C)(C)C)=C1)C(=O)[O-]	REAL300013234493	0	49	0.0	-66.51	378.55	7.47	-59.04
CC(C)(C)C(=O)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013234505	0	56	0.0	-68.75	420.06	9.41	-59.34
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(=O)C(C)(C)C)=C1)C(=O)[O-]	REAL300013234506	0	49	0.0	-66.51	378.55	7.47	-59.04
C[NH+](C)CC(NC(=O)NC1=CC=C2OC=CC(=O)C2=C1)C(=O)[O-]	REAL300013234813	0	40	0.0	-71.45	333.13	5.55	-65.90
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2OC=CC(=O)C2=C1	REAL300013234824	0	47	0.0	-67.18	374.44	7.43	-59.75
C[NH+](C)CC(NC(=O)NC1=CC=C2OC=CC(=O)C2=C1)C(=O)[O-]	REAL300013234825	0	40	0.0	-71.45	333.13	5.55	-65.90
C[NH+](C)CC(NC(=O)NC1=CC(F)=CC(Br)=C1)C(=O)[O-]	REAL300013235133	0	35	0.0	-58.53	313.83	6.19	-52.34
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC(F)=CC(Br)=C1	REAL300013235145	0	42	0.0	-54.11	355.35	8.04	-46.07
C[NH+](C)CC(NC(=O)NC1=CC(F)=CC(Br)=C1)C(=O)[O-]	REAL300013235146	0	35	0.0	-58.53	313.83	6.19	-52.34
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=NC=N2)C=C1)C(=O)[O-]	REAL300013235434	0	44	0.0	-59.36	367.50	5.75	-53.61
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OC2=CC=NC=N2)C=C1	REAL300013235446	0	51	0.0	-57.93	408.17	7.49	-50.44
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2=CC=NC=N2)C=C1)C(=O)[O-]	REAL300013235447	0	44	0.0	-59.36	367.50	5.75	-53.61
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235733	0	45	0.0	-63.61	372.89	5.99	-57.62
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC=C(CC2CCCO2)S1	REAL300013235745	0	52	0.0	-61.81	414.31	7.84	-53.97
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2CCCO2)S1)C(=O)[O-]	REAL300013235746	0	45	0.0	-63.61	372.89	5.99	-57.62
C[C@@H]1CC2=C(SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236032	0	45	0.0	-63.31	368.58	5.83	-57.48
C[C@@H]1CC2=C(SC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236044	0	52	0.0	-58.82	409.78	7.67	-51.15
C[C@@H]1CC2=C(SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N2)[C@H](C)O1	REAL300013236045	0	45	0.0	-63.31	368.58	5.83	-57.48
CN1C=C(C2=CC=NC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)C=N1	REAL300013236343	0	44	0.0	-64.61	362.92	6.58	-58.03
CN1C=C(C2=CC=NC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C2)C=N1	REAL300013236355	0	51	0.0	-62.68	404.51	8.33	-54.35
CN1C=C(C2=CC=NC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)C=N1	REAL300013236356	0	44	0.0	-64.61	362.92	6.58	-58.03
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(CF)=C1	REAL300013236598	0	45	0.0	-53.35	354.82	8.12	-45.23
O=C([O-])C1(NC(=O)NC2=CC=CC(CF)=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013236601	0	52	0.0	-55.64	398.13	10.60	-45.04
O=C([O-])C1(NC(=O)NC2=CC=CC(CF)=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013236601	1	52	0.0	-61.07	403.75	11.12	-49.95
CC(=O)NCCC1=CNC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C12	REAL300013236818	0	52	0.0	-64.76	422.20	5.33	-59.43
CC(=O)NCCC1=CNC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C12	REAL300013236825	0	52	0.0	-64.76	422.20	5.33	-59.43
C[NH+](C)CC(NC(=O)NC1=CC=C(C2CCCC2)C=C1)C(=O)[O-]	REAL300013237069	0	48	0.0	-55.70	369.97	8.66	-47.04
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C2CCCC2)C=C1	REAL300013237080	0	55	0.0	-55.60	411.90	10.44	-45.16
C[NH+](C)CC(NC(=O)NC1=CC=C(C2CCCC2)C=C1)C(=O)[O-]	REAL300013237081	0	48	0.0	-55.70	369.97	8.66	-47.04
CC1=NC2=C(F)C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2S1	REAL300013237391	0	40	0.0	-61.37	345.59	5.75	-55.62
CC1=NC2=C(F)C=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2S1	REAL300013237403	0	47	0.0	-58.06	386.90	7.56	-50.50
CC1=NC2=C(F)C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2S1	REAL300013237404	0	40	0.0	-61.37	345.59	5.75	-55.62
CCC1=C(C)N=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013237653	0	40	0.0	-61.06	334.83	6.20	-54.86
CCC1=C(C)N=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])S1	REAL300013237663	0	47	0.0	-56.82	376.67	8.11	-48.71
CCC1=C(C)N=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S1	REAL300013237664	0	40	0.0	-61.06	334.83	6.20	-54.86
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237938	0	48	0.0	-62.36	387.33	6.47	-55.89
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC=C(CC2CCCOC2)S1	REAL300013237948	0	55	0.0	-60.56	428.75	8.28	-52.28
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2CCCOC2)S1)C(=O)[O-]	REAL300013237949	0	48	0.0	-62.36	387.33	6.47	-55.89
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238205	0	48	0.0	-62.05	387.51	6.48	-55.57
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC=C(CC2CCOCC2)S1	REAL300013238215	0	55	0.0	-59.30	428.81	8.25	-51.05
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2CCOCC2)S1)C(=O)[O-]	REAL300013238216	0	48	0.0	-62.05	387.51	6.48	-55.57
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238491	0	45	0.0	-63.29	371.41	5.72	-57.57
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC=C(CC2CCOC2)S1	REAL300013238503	0	52	0.0	-61.03	412.94	7.57	-53.46
C[NH+](C)CC(NC(=O)NC1=NC=C(CC2CCOC2)S1)C(=O)[O-]	REAL300013238504	0	45	0.0	-63.29	371.41	5.72	-57.57
C[NH+](C)CC(NC(=O)NC1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300013238777	0	45	0.0	-62.65	357.71	6.18	-56.47
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(CC2CCC2)N=C1	REAL300013238787	0	52	0.0	-59.08	398.95	8.04	-51.04
C[NH+](C)CC(NC(=O)NC1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300013238788	0	45	0.0	-62.65	357.71	6.18	-56.47
C[NH+](C)CC(NC(=O)NC1=CC=C(N2C=CC=C2)C(Cl)=C1)C(=O)[O-]	REAL300013239087	0	43	0.0	-59.78	363.86	8.77	-51.01
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(N2C=CC=C2)C(Cl)=C1	REAL300013239099	0	50	0.0	-58.87	406.04	10.75	-48.12
C[NH+](C)CC(NC(=O)NC1=CC=C(N2C=CC=C2)C(Cl)=C1)C(=O)[O-]	REAL300013239100	0	43	0.0	-59.78	363.86	8.77	-51.01
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)C(=O)[O-]	REAL300013239318	0	45	0.0	-61.17	379.01	9.08	-52.09
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)C(=O)[O-]	REAL300013239324	0	45	0.0	-61.17	379.01	9.08	-52.09
CCC1=NC=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013239489	0	47	0.0	-53.71	361.29	7.13	-46.58
CCC1=NC=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013239492	0	54	0.0	-60.40	409.99	10.07	-50.33
CCC1=NC=CC=C1NC(=O)NC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013239492	1	54	0.0	-52.07	403.97	9.58	-42.49
C[NH+](C)CC(NC(=O)NC1=CC(Br)=C2OCOC2=C1)C(=O)[O-]	REAL300013239714	0	38	0.0	-60.86	333.21	4.75	-56.11
C[NH+](C)CC(NC(=O)NC1=CC(Br)=C2OCOC2=C1)C(=O)[O-]	REAL300013239722	0	38	0.0	-60.86	333.21	4.75	-56.11
CCCC(=O)C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013239969	0	46	0.0	-65.08	370.73	7.54	-57.54
CCCC(=O)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013239980	0	53	0.0	-68.37	411.89	9.40	-58.97
CCCC(=O)C1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013239981	0	46	0.0	-65.08	370.73	7.54	-57.54
C[NH+](C)CC(NC(=O)NC1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240252	0	51	0.0	-62.30	405.34	6.90	-55.40
C[NH+](C)CC(NC(=O)NC1=NC2=C(S1)C(C)(C)OC(C)(C)C2)C(=O)[O-]	REAL300013240261	0	51	0.0	-62.30	405.34	6.90	-55.40
CC1=CC=C(OCC2=CC=CC=C2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013240471	0	52	0.0	-61.45	416.15	9.68	-51.77
CC1=CC=C(OCC2=CC=CC=C2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013240479	0	52	0.0	-61.45	416.15	9.68	-51.77
CC1=CC=CC(CC2=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S2)=C1	REAL300013240700	0	47	0.0	-62.14	397.47	9.36	-52.78
CC1=CC=CC(CC2=CN=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S2)=C1	REAL300013240710	0	47	0.0	-62.14	397.47	9.36	-52.78
C[NH+](C)CC(NC(=O)NC1=CC(Cl)=C2OCCOC2=C1)C(=O)[O-]	REAL300013240980	0	41	0.0	-59.32	346.64	5.20	-54.12
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC(Cl)=C2OCCOC2=C1	REAL300013240992	0	48	0.0	-58.41	388.13	7.02	-51.39
C[NH+](C)CC(NC(=O)NC1=CC(Cl)=C2OCCOC2=C1)C(=O)[O-]	REAL300013240993	0	41	0.0	-59.32	346.64	5.20	-54.12
C[NH+](C)CC(NC(=O)NC1=CN(C2CC2(F)F)N=C1)C(=O)[O-]	REAL300013241288	0	39	0.0	-59.11	328.49	4.87	-54.24
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(C2CC2(F)F)N=C1	REAL300013241298	0	46	0.0	-55.50	369.55	6.73	-48.77
C[NH+](C)CC(NC(=O)NC1=CN(C2CC2(F)F)N=C1)C(=O)[O-]	REAL300013241299	0	39	0.0	-59.11	328.49	4.87	-54.24
CC(C)NC(=O)CN1C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=N1	REAL300013241610	0	48	0.0	-74.02	389.31	3.57	-70.45
CC(C)NC(=O)CN1C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=N1	REAL300013241622	0	55	0.0	-69.64	430.93	5.45	-64.19
CC(C)NC(=O)CN1C=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=N1	REAL300013241623	0	48	0.0	-74.02	389.31	3.57	-70.45
C[NH+](C)CC(NC(=O)NC1=CN(CCN2CCCC2=O)N=C1)C(=O)[O-]	REAL300013241908	0	49	0.0	-66.07	395.94	5.18	-60.89
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(CCN2CCCC2=O)N=C1	REAL300013241920	0	56	0.0	-60.78	437.12	7.07	-53.71
C[NH+](C)CC(NC(=O)NC1=CN(CCN2CCCC2=O)N=C1)C(=O)[O-]	REAL300013241921	0	49	0.0	-66.07	395.94	5.18	-60.89
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=C2C=COC2=CC=N1	REAL300013242165	0	44	0.0	-58.78	351.21	7.45	-51.33
O=C([O-])C1(NC(=O)NC2=C3C=COC3=CC=N2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013242168	0	51	0.0	-59.14	393.20	9.92	-49.22
O=C([O-])C1(NC(=O)NC2=C3C=COC3=CC=N2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013242168	1	51	0.0	-59.14	393.15	9.90	-49.24
C[NH+](C)CC(NC(=O)NC1=CC=C(Br)C2=C1CCO2)C(=O)[O-]	REAL300013242418	0	40	0.0	-60.33	342.34	5.94	-54.39
C[NH+](C)CC(NC(=O)NC1=CC=C(Br)C2=C1CCO2)C(=O)[O-]	REAL300013242426	0	40	0.0	-60.33	342.34	5.94	-54.39
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013242657	0	48	0.0	-61.31	391.17	6.82	-54.49
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013242667	0	55	0.0	-55.85	432.83	8.74	-47.11
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013242668	0	48	0.0	-61.31	391.17	6.82	-54.49
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300013242949	0	42	0.0	-58.39	345.65	7.68	-50.71
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C2CC2(F)F)=C1	REAL300013242960	0	49	0.0	-53.66	387.05	9.51	-44.15
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300013242961	0	42	0.0	-58.39	345.65	7.68	-50.71
C[NH+](C)CC(NC(=O)NC1=CC(Cl)=C2OCOC2=C1)C(=O)[O-]	REAL300013243279	0	38	0.0	-61.13	328.65	4.63	-56.50
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC(Cl)=C2OCOC2=C1	REAL300013243291	0	45	0.0	-57.22	370.12	6.55	-50.67
C[NH+](C)CC(NC(=O)NC1=CC(Cl)=C2OCOC2=C1)C(=O)[O-]	REAL300013243292	0	38	0.0	-61.13	328.65	4.63	-56.50
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2=CN=CC=N2)C=C1)C(=O)[O-]	REAL300013243575	0	47	0.0	-59.92	385.03	5.25	-54.67
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300013243585	0	54	0.0	-58.72	426.32	6.99	-51.73
C[NH+](C)CC(NC(=O)NC1=CC=C(OCC2=CN=CC=N2)C=C1)C(=O)[O-]	REAL300013243586	0	47	0.0	-59.92	385.03	5.25	-54.67
C[NH+](C)CC(NC(=O)NC1=CC=C2OCC(=O)NC2=N1)C(=O)[O-]	REAL300013243863	0	40	0.0	-67.75	333.23	3.25	-64.50
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2OCC(=O)NC2=N1	REAL300013243874	0	47	0.0	-64.85	374.74	5.10	-59.75
C[NH+](C)CC(NC(=O)NC1=CC=C2OCC(=O)NC2=N1)C(=O)[O-]	REAL300013243875	0	40	0.0	-67.75	333.23	3.25	-64.50
C[NH+](C)CC(NC(=O)NC1=CN(CCN2CCOC2=O)N=C1)C(=O)[O-]	REAL300013244168	0	47	0.0	-73.74	386.28	4.30	-69.44
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(CCN2CCOC2=O)N=C1	REAL300013244178	0	54	0.0	-69.50	427.91	6.18	-63.32
C[NH+](C)CC(NC(=O)NC1=CN(CCN2CCOC2=O)N=C1)C(=O)[O-]	REAL300013244179	0	47	0.0	-73.74	386.28	4.30	-69.44
C[NH+](C)CC(NC(=O)NC1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300013244443	0	45	0.0	-59.85	351.19	7.18	-52.67
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=NN1C1CCCC1	REAL300013244453	0	52	0.0	-56.72	392.97	8.97	-47.75
C[NH+](C)CC(NC(=O)NC1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300013244454	0	45	0.0	-59.85	351.19	7.18	-52.67
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013244741	0	48	0.0	-60.10	387.39	7.45	-52.65
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013244751	0	55	0.0	-57.12	428.78	9.35	-47.77
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013244752	0	48	0.0	-60.10	387.39	7.45	-52.65
C[NH+](C)CC(NC(=O)NC1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300013245008	0	44	0.0	-57.30	365.37	5.96	-51.34
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC(Cl)=C2OCCCOC2=C1	REAL300013245018	0	51	0.0	-57.57	406.21	7.84	-49.73
C[NH+](C)CC(NC(=O)NC1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300013245019	0	44	0.0	-57.30	365.37	5.96	-51.34
COCC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1Cl	REAL300013245305	0	42	0.0	-62.70	354.56	5.79	-56.91
COCC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1Cl	REAL300013245317	0	49	0.0	-53.16	395.86	7.71	-45.45
COCC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1Cl	REAL300013245318	0	42	0.0	-62.70	354.56	5.79	-56.91
C=CCN1C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=N1	REAL300013245565	0	46	0.0	-59.29	364.22	6.51	-52.78
C=CCN1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013245568	0	53	0.0	-66.22	412.41	9.45	-56.77
C=CCN1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013245568	1	53	0.0	-66.39	412.33	9.45	-56.94
CC1=CC(OCC2=CC=CC=N2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013245803	0	51	0.0	-58.80	408.03	7.95	-50.85
CC1=CC(OCC2=CC=CC=N2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013245811	0	51	0.0	-58.80	408.03	7.95	-50.85
C[NH+](C)CC(NC(=O)NC1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246000	0	38	0.0	-54.31	343.44	6.61	-47.70
C[NH+](C)CC(NC(=O)NC1=NC(C2CC2)=C(Br)S1)C(=O)[O-]	REAL300013246007	0	38	0.0	-54.31	343.44	6.61	-47.70
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=NNC(C(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300013246170	0	45	0.0	-57.36	385.73	6.45	-50.91
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=CC(C(F)(F)F)=NN2)C=C1)C(=O)[O-]	REAL300013246170	1	45	0.0	-62.17	385.30	6.44	-55.73
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=NNC(C(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300013246176	0	45	0.0	-57.36	385.73	6.45	-50.91
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=CC(C(F)(F)F)=NN2)C=C1)C(=O)[O-]	REAL300013246176	1	45	0.0	-62.17	385.30	6.44	-55.73
COC1=CC=C(C2=CC=CC=N2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013246386	0	48	0.0	-65.24	384.59	6.85	-58.39
COC1=CC=C(C2=CC=CC=N2)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013246396	0	55	0.0	-63.51	428.02	8.64	-54.87
COC1=CC=C(C2=CC=CC=N2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013246397	0	48	0.0	-65.24	384.59	6.85	-58.39
CC1=CC(OCC2=CC=CN=C2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013246630	0	51	0.0	-61.55	410.77	7.94	-53.61
CC1=CC(OCC2=CC=CN=C2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013246638	0	51	0.0	-61.55	410.77	7.94	-53.61
CC1=CC(OCC2=CC=NC=C2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013246846	0	51	0.0	-59.85	410.74	7.99	-51.86
CC1=CC(OCC2=CC=NC=C2)=CC=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013246854	0	51	0.0	-59.85	410.74	7.99	-51.86
COC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013247085	0	48	0.0	-59.69	382.30	6.62	-53.07
COC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013247095	0	55	0.0	-57.55	425.36	8.46	-49.09
COC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013247096	0	48	0.0	-59.69	382.30	6.62	-53.07
C[NH+](C)CC(NC(=O)NC1=CC=C2CCOCC2=C1)C(=O)[O-]	REAL300013247356	0	43	0.0	-60.81	340.05	5.53	-55.28
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2CCOCC2=C1	REAL300013247366	0	50	0.0	-53.36	381.61	7.52	-45.84
C[NH+](C)CC(NC(=O)NC1=CC=C2CCOCC2=C1)C(=O)[O-]	REAL300013247367	0	43	0.0	-60.81	340.05	5.53	-55.28
C[NH+](C)CC(NC(=O)NC1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300013247596	0	41	0.0	-59.26	351.01	5.34	-53.92
C[NH+](C)CC(NC(=O)NC1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300013247600	0	41	0.0	-59.26	351.01	5.34	-53.92
C[NH+](C)CC(NC(=O)NC1=CC=C(C(C)(C)S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300013247780	0	50	0.0	-66.48	394.98	4.63	-61.85
C[NH+](C)CC(NC(=O)NC1=CC=C(C(C)(C)S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300013247788	0	50	0.0	-66.48	394.98	4.63	-61.85
CN1N=C(C(F)(F)F)C=C1C1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013247942	0	48	0.0	-60.63	402.02	7.45	-53.18
CN1N=C(C(F)(F)F)C=C1C1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013247945	0	48	0.0	-60.63	402.02	7.45	-53.18
C[NH+](C)CC(NC(=O)NC1=CN(CC2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300013248143	0	45	0.0	-64.55	376.07	7.26	-57.29
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300013248155	0	52	0.0	-60.18	417.69	9.13	-51.05
C[NH+](C)CC(NC(=O)NC1=CN(CC2=CC=C(F)C=C2)N=C1)C(=O)[O-]	REAL300013248156	0	45	0.0	-64.55	376.07	7.26	-57.29
C[NH+](C)CC(NC(=O)NC1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300013248438	0	40	0.0	-70.11	340.99	4.06	-66.05
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300013248450	0	47	0.0	-66.42	382.17	5.93	-60.49
C[NH+](C)CC(NC(=O)NC1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300013248451	0	40	0.0	-70.11	340.99	4.06	-66.05
CCN1N=C(C(C)(C)C)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013248744	0	50	0.0	-60.06	390.34	7.52	-52.54
CCN1N=C(C(C)(C)C)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013248755	0	57	0.0	-56.57	431.52	9.39	-47.18
CCN1N=C(C(C)(C)C)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013248756	0	50	0.0	-60.06	390.34	7.52	-52.54
C[NH+](C)CC(NC(=O)NC1=CN(C2CCNC2=O)N=C1)C(=O)[O-]	REAL300013249068	0	43	0.0	-65.82	349.70	1.65	-64.17
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(C2CCNC2=O)N=C1	REAL300013249079	0	50	0.0	-59.95	391.47	3.44	-56.51
C[NH+](C)CC(NC(=O)NC1=CN(C2CCNC2=O)N=C1)C(=O)[O-]	REAL300013249080	0	43	0.0	-65.82	349.70	1.65	-64.17
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=CN=CN=C2)=C1)C(=O)[O-]	REAL300013249401	0	43	0.0	-61.28	350.58	6.90	-54.38
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C2=CN=CN=C2)=C1	REAL300013249413	0	50	0.0	-57.41	391.83	8.80	-48.61
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=CN=CN=C2)=C1)C(=O)[O-]	REAL300013249414	0	43	0.0	-61.28	350.58	6.90	-54.38
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=CC=CN=C2)=C1)C(=O)[O-]	REAL300013249725	0	44	0.0	-59.58	355.34	7.14	-52.44
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C2=CC=CN=C2)=C1	REAL300013249736	0	51	0.0	-54.07	396.93	9.12	-44.95
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2=CC=CN=C2)=C1)C(=O)[O-]	REAL300013249737	0	44	0.0	-59.58	355.34	7.14	-52.44
C[NH+](C)CC(NC(=O)NC1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250042	0	45	0.0	-61.09	369.18	6.06	-55.03
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC=C(C2CCCCO2)S1	REAL300013250054	0	52	0.0	-58.64	410.95	7.86	-50.78
C[NH+](C)CC(NC(=O)NC1=NC=C(C2CCCCO2)S1)C(=O)[O-]	REAL300013250055	0	45	0.0	-61.09	369.18	6.06	-55.03
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NC2=C(CCC2)S1	REAL300013250303	0	45	0.0	-60.20	359.68	7.95	-52.25
C#CC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=N1	REAL300013250528	0	43	0.0	-63.95	350.97	8.13	-55.82
C#CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013250530	0	50	0.0	-71.84	399.51	11.10	-60.74
C#CC1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013250530	1	50	0.0	-71.93	399.45	11.10	-60.83
C#CC1=CN=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013250732	0	43	0.0	-57.60	349.85	6.74	-50.86
C#CC1=CN=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013250734	0	50	0.0	-62.79	398.32	9.70	-53.09
C#CC1=CN=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013250734	1	50	0.0	-54.49	392.26	9.20	-45.29
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C2CC2)C=C1	REAL300013250964	0	49	0.0	-55.62	376.72	9.40	-46.22
O=C([O-])C1(NC(=O)NC2=CC=C(C3CC3)C=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013250967	0	56	0.0	-52.22	419.31	11.90	-40.32
O=C([O-])C1(NC(=O)NC2=CC=C(C3CC3)C=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013250967	1	56	0.0	-63.27	425.28	12.37	-50.90
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=NNC3=C2COCC3)C=C1)C(=O)[O-]	REAL300013251207	0	50	0.0	-63.29	396.32	5.32	-57.97
C[NH+](C)CC(NC(=O)NC1=CC=C(C2=NNC3=C2COCC3)C=C1)C(=O)[O-]	REAL300013251215	0	50	0.0	-63.29	396.32	5.32	-57.97
CCC(C)C1=CSC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013251445	0	43	0.0	-54.48	349.77	6.23	-48.25
CCC(C)C1=CSC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=N1	REAL300013251455	0	50	0.0	-50.83	391.19	8.04	-42.79
CCC(C)C1=CSC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N1	REAL300013251456	0	43	0.0	-54.48	349.77	6.23	-48.25
COC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1C	REAL300013251723	0	49	0.0	-54.05	376.39	7.38	-46.67
COC1=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C	REAL300013251726	0	56	0.0	-53.29	419.42	9.87	-43.42
COC1=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C	REAL300013251726	1	56	0.0	-61.40	425.35	10.35	-51.05
C[NH+](C)CC(NC(=O)NC1=C(Cl)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300013252024	0	40	0.0	-63.19	346.70	6.85	-56.34
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=C(Cl)C=CC2=NC=CC=C21	REAL300013252036	0	47	0.0	-59.56	380.71	8.25	-51.31
C[NH+](C)CC(NC(=O)NC1=C(Cl)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300013252037	0	40	0.0	-63.19	346.70	6.85	-56.34
C[NH+](C)CC(NC(=O)NC1=CC2=NSN=C2C=C1)C(=O)[O-]	REAL300013252324	0	36	0.0	-57.96	310.30	3.84	-54.12
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC2=NSN=C2C=C1	REAL300013252334	0	43	0.0	-54.15	351.50	5.71	-48.44
C[NH+](C)CC(NC(=O)NC1=CC2=NSN=C2C=C1)C(=O)[O-]	REAL300013252335	0	36	0.0	-57.96	310.30	3.84	-54.12
C#CCN1C=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=N1	REAL300013252575	0	44	0.0	-61.38	357.17	6.46	-54.92
C#CCN1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013252577	0	51	0.0	-68.30	405.36	9.40	-58.90
C#CCN1C=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013252577	1	51	0.0	-68.65	405.30	9.40	-59.25
CC1=CN=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1C	REAL300013252786	0	47	0.0	-59.18	362.31	8.27	-50.91
CC1=CN=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=C1C	REAL300013252789	0	54	0.0	-66.89	410.85	11.24	-55.65
CC1=CN=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1C	REAL300013252789	1	54	0.0	-67.13	410.81	11.23	-55.90
C[NH+](C)CC(NC(=O)NC1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300013253067	0	48	0.0	-60.98	369.97	6.54	-54.44
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(C2CCCCC2)N=C1	REAL300013253078	0	55	0.0	-56.10	411.71	8.45	-47.65
C[NH+](C)CC(NC(=O)NC1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300013253079	0	48	0.0	-60.98	369.97	6.54	-54.44
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C(C)S1	REAL300013253331	0	45	0.0	-53.57	357.45	7.92	-45.65
CC1=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C(C)S1	REAL300013253334	0	52	0.0	-51.95	399.63	10.39	-41.56
CC1=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C(C)S1	REAL300013253334	1	52	0.0	-60.22	405.74	10.86	-49.36
C[NH+](C)CC(NC(=O)NC1=CC=C(Br)C2=C1CCCC2)C(=O)[O-]	REAL300013253545	0	45	0.0	-54.84	363.25	8.77	-46.07
C[NH+](C)CC(NC(=O)NC1=CC=C(Br)C2=C1CCCC2)C(=O)[O-]	REAL300013253551	0	45	0.0	-54.84	363.25	8.77	-46.07
C[NH+](C)CC(NC(=O)NC1=CN=CC(C(C)(C)C)=C1)C(=O)[O-]	REAL300013253766	0	46	0.0	-58.66	357.74	5.96	-52.70
CC(C)(C)C1=CN=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013253776	0	53	0.0	-54.56	399.07	7.85	-46.71
C[NH+](C)CC(NC(=O)NC1=CN=CC(C(C)(C)C)=C1)C(=O)[O-]	REAL300013253777	0	46	0.0	-58.66	357.74	5.96	-52.70
C[NH+](C)CC(NC(=O)NC1=CC(F)=CC2=C1OCCC2)C(=O)[O-]	REAL300013254088	0	43	0.0	-57.48	344.30	6.37	-51.11
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC(F)=CC2=C1OCCC2	REAL300013254099	0	50	0.0	-51.86	386.07	8.29	-43.57
C[NH+](C)CC(NC(=O)NC1=CC(F)=CC2=C1OCCC2)C(=O)[O-]	REAL300013254100	0	43	0.0	-57.48	344.30	6.37	-51.11
C[NH+](C)CC(NC(=O)NC1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300013254422	0	44	0.0	-68.17	365.93	5.06	-63.11
CP(C)(=O)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013254433	0	51	0.0	-58.61	407.28	6.87	-51.74
C[NH+](C)CC(NC(=O)NC1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300013254434	0	44	0.0	-68.17	365.93	5.06	-63.11
CC1=CC(CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)=CC(C)=N1	REAL300013254701	0	53	0.0	-59.44	427.05	9.43	-50.01
CC1=CC(CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)=CC(C)=N1	REAL300013254710	0	53	0.0	-59.44	427.05	9.43	-50.01
CN1C=C(OC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)C=N1	REAL300013254959	0	46	0.0	-63.05	379.19	6.16	-56.89
CN1C=C(OC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2)C=N1	REAL300013254971	0	53	0.0	-60.05	420.29	7.84	-52.21
CN1C=C(OC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)C=N1	REAL300013254972	0	46	0.0	-63.05	379.19	6.16	-56.89
CN1N=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013255246	0	41	0.0	-60.06	335.83	5.46	-54.60
CN1N=CC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C21	REAL300013255256	0	48	0.0	-56.21	377.43	7.33	-48.88
CN1N=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013255257	0	41	0.0	-60.06	335.83	5.46	-54.60
CC1=NN(CC(F)(F)F)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013255566	0	41	0.0	-58.40	348.26	5.28	-53.12
CC1=NN(CC(F)(F)F)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013255578	0	48	0.0	-56.68	390.02	7.07	-49.61
CC1=NN(CC(F)(F)F)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013255579	0	41	0.0	-58.40	348.26	5.28	-53.12
C[NH+](C)CC(NC(=O)NC1=CC=C(I)C(F)=C1)C(=O)[O-]	REAL300013255787	0	35	0.0	-61.56	319.15	6.61	-54.95
C[NH+](C)CC(NC(=O)NC1=CC=C(I)C(F)=C1)C(=O)[O-]	REAL300013255790	0	35	0.0	-61.56	319.15	6.61	-54.95
C[NH+](C)CC(NC(=O)NC1=CC=C2SCCCC2=C1)C(=O)[O-]	REAL300013256003	0	43	0.0	-58.28	348.35	7.72	-50.56
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2SCCCC2=C1	REAL300013256014	0	50	0.0	-55.43	390.00	9.50	-45.93
C[NH+](C)CC(NC(=O)NC1=CC=C2SCCCC2=C1)C(=O)[O-]	REAL300013256015	0	43	0.0	-58.28	348.35	7.72	-50.56
C[NH+](C)CC(NC(=O)NC1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300013256296	0	57	0.0	-58.41	415.38	9.64	-48.77
C[NH+](C)CC(NC(=O)NC1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300013256306	0	57	0.0	-58.41	415.38	9.64	-48.77
C[NH+](C)CC(NC(=O)NC1=CC=C2C=NSC2=C1)C(=O)[O-]	REAL300013256557	0	37	0.0	-60.64	318.03	5.73	-54.91
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C2C=NSC2=C1	REAL300013256567	0	44	0.0	-63.40	359.10	7.56	-55.84
C[NH+](C)CC(NC(=O)NC1=CC=C2C=NSC2=C1)C(=O)[O-]	REAL300013256568	0	37	0.0	-60.64	318.03	5.73	-54.91
CNC(=O)CC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013256878	0	45	0.0	-62.96	366.23	4.37	-58.59
CNC(=O)CC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013256889	0	52	0.0	-58.71	407.94	6.28	-52.43
CNC(=O)CC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013256890	0	45	0.0	-62.96	366.23	4.37	-58.59
CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C2=CC=CC=C12	REAL300013257201	0	48	0.0	-59.69	378.74	8.07	-51.62
CCOC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C2=CC=CC=C12	REAL300013257213	0	55	0.0	-52.82	420.43	10.12	-42.70
CCOC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C2=CC=CC=C12	REAL300013257214	0	48	0.0	-59.69	378.74	8.07	-51.62
CCOC1=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2C=C1	REAL300013257502	0	48	0.0	-62.32	383.19	7.97	-54.35
CCOC1=CC2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2C=C1	REAL300013257514	0	55	0.0	-56.59	425.34	9.89	-46.70
CCOC1=CC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2C=C1	REAL300013257515	0	48	0.0	-62.32	383.19	7.97	-54.35
C#CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=N1	REAL300013257823	0	43	0.0	-56.44	349.57	6.68	-49.76
C#CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013257825	0	50	0.0	-54.52	392.38	9.11	-45.41
C#CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300013257825	1	50	0.0	-63.13	398.09	9.62	-53.51
C[NH+](C)CC(NC(=O)NC1=CC=C(C(F)(F)CF)C=C1)C(=O)[O-]	REAL300013258101	0	41	0.0	-56.79	345.96	7.23	-49.56
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C(F)(F)CF)C=C1	REAL300013258113	0	48	0.0	-57.53	387.48	8.91	-48.62
C[NH+](C)CC(NC(=O)NC1=CC=C(C(F)(F)CF)C=C1)C(=O)[O-]	REAL300013258114	0	41	0.0	-56.79	345.96	7.23	-49.56
CC1=C(C)C2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2N1	REAL300013258424	0	45	0.0	-64.56	358.99	6.69	-57.87
CC1=C(C)C2=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=CC=C2N1	REAL300013258434	0	52	0.0	-55.49	399.69	8.53	-46.96
CC1=C(C)C2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2N1	REAL300013258435	0	45	0.0	-64.56	358.99	6.69	-57.87
C#CC1=CC=NC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013258680	0	43	0.0	-58.73	351.24	8.21	-50.52
C#CC1=CC=NC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013258682	0	50	0.0	-65.75	399.43	11.20	-54.55
C#CC1=CC=NC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013258682	1	50	0.0	-66.09	399.39	11.20	-54.89
C#CC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])N=C1	REAL300013258884	0	43	0.0	-58.63	351.44	8.26	-50.37
C#CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)N=C1	REAL300013258886	0	50	0.0	-59.20	393.39	10.71	-48.49
C#CC1=CC=C(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)N=C1	REAL300013258886	1	50	0.0	-59.17	393.34	10.71	-48.46
C[NH+](C)CC(NC(=O)NC1=CC(C2CCOC2)=CC=N1)C(=O)[O-]	REAL300013259159	0	45	0.0	-63.98	357.87	5.84	-58.14
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC(C2CCOC2)=CC=N1	REAL300013259170	0	52	0.0	-59.71	399.05	7.70	-52.01
C[NH+](C)CC(NC(=O)NC1=CC(C2CCOC2)=CC=N1)C(=O)[O-]	REAL300013259171	0	45	0.0	-63.98	357.87	5.84	-58.14
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(C)(C)C#N)=C1)C(=O)[O-]	REAL300013259489	0	45	0.0	-58.56	361.69	7.36	-51.20
CC(C)(C#N)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013259499	0	52	0.0	-54.81	403.80	9.24	-45.57
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(C)(C)C#N)=C1)C(=O)[O-]	REAL300013259500	0	45	0.0	-58.56	361.69	7.36	-51.20
COC(=O)C1=NC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2S1	REAL300013259779	0	43	0.0	-60.79	374.65	5.70	-55.09
COC(=O)C1=NC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2S1	REAL300013259788	0	43	0.0	-60.79	374.65	5.70	-55.09
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=C1Cl)OCCC2)C(=O)[O-]	REAL300013260042	0	43	0.0	-55.37	353.15	6.68	-48.69
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC2=C(C=C1Cl)OCCC2	REAL300013260054	0	50	0.0	-51.25	395.91	8.64	-42.61
C[NH+](C)CC(NC(=O)NC1=CC2=C(C=C1Cl)OCCC2)C(=O)[O-]	REAL300013260055	0	43	0.0	-55.37	353.15	6.68	-48.69
COC1=NC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2C=C1	REAL300013260355	0	44	0.0	-57.87	359.15	4.36	-53.51
COC1=NC2=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=CC=C2C=C1	REAL300013260367	0	51	0.0	-54.99	400.94	6.22	-48.77
COC1=NC2=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2C=C1	REAL300013260368	0	44	0.0	-57.87	359.15	4.36	-53.51
CC1=C(Br)C=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C	REAL300013260653	0	41	0.0	-59.17	339.01	7.38	-51.79
CC1=C(Br)C=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1C	REAL300013260663	0	48	0.0	-53.18	380.69	9.26	-43.92
CC1=C(Br)C=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1C	REAL300013260664	0	41	0.0	-59.17	339.01	7.38	-51.79
CC(=O)C1=CC=C(C)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013260924	0	43	0.0	-65.45	347.65	6.87	-58.58
CC(=O)C1=CC=C(C)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013260934	0	50	0.0	-62.07	387.66	8.66	-53.41
CC(=O)C1=CC=C(C)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013260935	0	43	0.0	-65.45	347.65	6.87	-58.58
C[NH+](C)CC(NC(=O)NC1=CC=NN1CCN1CCOCC1)C(=O)[O-]	REAL300013261224	0	51	0.0	-59.72	396.72	3.52	-56.20
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=NN1CCN1CCOCC1	REAL300013261234	0	58	0.0	-56.66	437.79	5.39	-51.27
C[NH+](C)CC(NC(=O)NC1=CC=NN1CCN1CCOCC1)C(=O)[O-]	REAL300013261235	0	51	0.0	-59.72	396.72	3.52	-56.20
C[NH+](C)CC(NC(=O)NC1=CN(C2CCC(=O)NC2)N=C1)C(=O)[O-]	REAL300013261517	0	46	0.0	-65.73	366.66	2.49	-63.24
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(C2CCC(=O)NC2)N=C1	REAL300013261529	0	53	0.0	-63.27	408.08	4.34	-58.93
C[NH+](C)CC(NC(=O)NC1=CN(C2CCC(=O)NC2)N=C1)C(=O)[O-]	REAL300013261530	0	46	0.0	-65.73	366.66	2.49	-63.24
CCOC(=O)C1CCC2=C1N=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S2	REAL300013261788	0	47	0.0	-58.51	392.12	7.17	-51.34
CCOC(=O)C1CCC2=C1N=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])S2	REAL300013261797	0	47	0.0	-58.51	392.12	7.17	-51.34
CSC1=CC=NC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013262009	0	45	0.0	-57.44	364.09	8.05	-49.39
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C(C)C=C1Cl	REAL300013262288	0	41	0.0	-57.23	339.21	7.39	-49.84
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C(C)C=C1Cl	REAL300013262298	0	48	0.0	-52.91	380.34	9.27	-43.64
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C(C)C=C1Cl	REAL300013262299	0	41	0.0	-57.23	339.21	7.39	-49.84
CC1=CC=C(C2=NC3=CC=CC=C3S2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013262512	0	50	0.0	-70.47	414.55	9.55	-60.92
CC1=CC=C(C2=NC3=CC=CC=C3S2)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013262515	0	50	0.0	-70.47	414.55	9.55	-60.92
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2CCC(F)(F)CC2)=C1)C(=O)[O-]	REAL300013262684	0	51	0.0	-58.53	398.75	9.41	-49.12
C[NH+](C)CC(NC(=O)NC1=CC=CC(C2CCC(F)(F)CC2)=C1)C(=O)[O-]	REAL300013262693	0	51	0.0	-58.53	398.75	9.41	-49.12
C[NH+](C)CC(NC(=O)NC1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300013262950	0	41	0.0	-57.64	345.79	8.31	-49.33
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC2=CC=CC=C2C=C1Cl	REAL300013262962	0	48	0.0	-51.08	388.57	10.37	-40.71
C[NH+](C)CC(NC(=O)NC1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300013262963	0	41	0.0	-57.64	345.79	8.31	-49.33
C[NH+](C)CC(NC(=O)NC1=CC=NN1C1CC1(F)F)C(=O)[O-]	REAL300013263272	0	39	0.0	-62.49	329.26	6.20	-56.29
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=NN1C1CC1(F)F	REAL300013263282	0	46	0.0	-58.19	370.89	8.08	-50.11
C[NH+](C)CC(NC(=O)NC1=CC=NN1C1CC1(F)F)C(=O)[O-]	REAL300013263283	0	39	0.0	-62.49	329.26	6.20	-56.29
C[NH+](C)CC(NC(=O)NC1=CC=CC2=C1CCOC2)C(=O)[O-]	REAL300013263580	0	43	0.0	-56.60	337.55	5.79	-50.81
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC2=C1CCOC2	REAL300013263590	0	50	0.0	-56.21	378.68	7.63	-48.58
C[NH+](C)CC(NC(=O)NC1=CC=CC2=C1CCOC2)C(=O)[O-]	REAL300013263591	0	43	0.0	-56.60	337.55	5.79	-50.81
C[NH+](C)CC(NC(=O)NC1=CC=CN=C1OC(F)F)C(=O)[O-]	REAL300013263904	0	38	0.0	-58.00	323.28	3.08	-54.92
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CN=C1OC(F)F	REAL300013263914	0	45	0.0	-55.97	363.87	4.87	-51.10
C[NH+](C)CC(NC(=O)NC1=CC=CN=C1OC(F)F)C(=O)[O-]	REAL300013263915	0	38	0.0	-58.00	323.28	3.08	-54.92
CN1CCCC2=C1C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2	REAL300013264232	0	47	0.0	-61.03	357.33	6.55	-54.48
CN1CCCC2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C21	REAL300013264243	0	54	0.0	-57.14	399.31	8.22	-48.92
CN1CCCC2=C1C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C2	REAL300013264244	0	47	0.0	-61.03	357.33	6.55	-54.48
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300013264548	0	42	0.0	-60.52	354.24	5.89	-54.63
COC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300013264560	0	49	0.0	-55.67	395.75	7.60	-48.07
COC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300013264561	0	42	0.0	-60.52	354.24	5.89	-54.63
C[NH+](C)CC(NC(=O)NC1=CC2=CC=CC(S(N)(=O)=O)=C2C=C1)C(=O)[O-]	REAL300013264770	0	46	0.0	-69.57	381.59	2.70	-66.87
C[NH+](C)CC(NC(=O)NC1=CC2=CC=CC(S(N)(=O)=O)=C2C=C1)C(=O)[O-]	REAL300013264776	0	46	0.0	-69.57	381.59	2.70	-66.87
CC1=CC=CC=C1OC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013264986	0	49	0.0	-58.74	395.53	9.03	-49.71
CC1=CC=CC=C1OC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300013264996	0	56	0.0	-56.59	435.64	10.86	-45.73
CC1=CC=CC=C1OC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1	REAL300013264997	0	49	0.0	-58.74	395.53	9.03	-49.71
C[NH+](C)CC(NC(=O)NC1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300013265278	0	42	0.0	-56.90	347.72	7.78	-49.12
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C2CC2(F)F)C=C1	REAL300013265289	0	49	0.0	-56.94	388.92	9.59	-47.35
C[NH+](C)CC(NC(=O)NC1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300013265290	0	42	0.0	-56.90	347.72	7.78	-49.12
C[NH+](C)CC(NC(=O)NC1=CC=CC2=CC=C(S(N)(=O)=O)C=C21)C(=O)[O-]	REAL300013265522	0	46	0.0	-65.56	382.57	2.77	-62.79
C[NH+](C)CC(NC(=O)NC1=CC=CC2=CC=C(S(N)(=O)=O)C=C21)C(=O)[O-]	REAL300013265528	0	46	0.0	-65.56	382.57	2.77	-62.79
C[NH+](C)CC(NC(=O)NC1=CC(Cl)=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300013265661	0	35	0.0	-56.60	337.06	7.00	-49.60
C[NH+](C)CC(NC(=O)NC1=CC(Cl)=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300013265664	0	35	0.0	-56.60	337.06	7.00	-49.60
CCOC(=O)N1CCC2=C(C1)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N2	REAL300013265885	0	49	0.0	-58.31	404.62	5.88	-52.43
CCOC(=O)N1CCC2=C(C1)SC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=N2	REAL300013265891	0	49	0.0	-58.31	404.62	5.88	-52.43
CCCSC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013266125	0	45	0.0	-63.15	369.02	8.13	-55.02
CCCSC1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013266136	0	52	0.0	-59.63	410.46	10.03	-49.60
CCCSC1=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013266137	0	45	0.0	-63.15	369.02	8.13	-55.02
C[NH+](C)CC(NC(=O)NC1=CC=CC(P2(=O)CCCC2)=C1)C(=O)[O-]	REAL300013266428	0	48	0.0	-64.42	388.86	6.52	-57.90
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(P2(=O)CCCC2)=C1	REAL300013266438	0	55	0.0	-61.09	429.91	8.31	-52.78
C[NH+](C)CC(NC(=O)NC1=CC=CC(P2(=O)CCCC2)=C1)C(=O)[O-]	REAL300013266439	0	48	0.0	-64.42	388.86	6.52	-57.90
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300013266690	0	38	0.0	-57.47	320.01	6.40	-51.07
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C(F)F)=C1	REAL300013266700	0	45	0.0	-54.52	359.01	8.19	-46.33
C[NH+](C)CC(NC(=O)NC1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300013266701	0	38	0.0	-57.47	320.01	6.40	-51.07
C[NH+](C)CC(NC(=O)NC1=CN(C2CCS(=O)(=O)C2)N=C1)C(=O)[O-]	REAL300013266975	0	45	0.0	-70.52	371.19	1.95	-68.57
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300013266985	0	52	0.0	-69.25	412.50	3.74	-65.51
C[NH+](C)CC(NC(=O)NC1=CN(C2CCS(=O)(=O)C2)N=C1)C(=O)[O-]	REAL300013266986	0	45	0.0	-70.52	371.19	1.95	-68.57
CC(C)OC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300013267198	0	48	0.0	-62.06	394.40	7.38	-54.68
CC(C)OC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300013267205	0	48	0.0	-62.06	394.40	7.38	-54.68
C[NH+](C)CC(NC(=O)NC1=CC=C(N2C=C(C#N)C=N2)C=C1)C(=O)[O-]	REAL300013267437	0	43	0.0	-62.19	365.89	7.09	-55.10
N#CC1=CN(C2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2)N=C1	REAL300013267449	0	50	0.0	-57.92	407.31	8.89	-49.03
C[NH+](C)CC(NC(=O)NC1=CC=C(N2C=C(C#N)C=N2)C=C1)C(=O)[O-]	REAL300013267450	0	43	0.0	-62.19	365.89	7.09	-55.10
CC(C)C1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C(F)(F)F	REAL300013267709	0	47	0.0	-55.40	378.80	8.21	-47.19
CC(C)C1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C(F)(F)F	REAL300013267719	0	47	0.0	-55.40	378.80	8.21	-47.19
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C(Cl)C=C1C1CC1	REAL300013267984	0	45	0.0	-55.69	366.37	8.66	-47.03
CC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C(Cl)C=C1C1CC1	REAL300013267996	0	52	0.0	-51.18	407.59	10.56	-40.62
CC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C(Cl)C=C1C1CC1	REAL300013267997	0	45	0.0	-55.69	366.37	8.66	-47.03
CC1=CC=C(C(C)C)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013268277	0	47	0.0	-57.48	365.11	8.30	-49.18
CC1=CC=C(C(C)C)C=C1NC(=O)NC(C[NH+]1CCCCC1)C(=O)[O-]	REAL300013268287	0	54	0.0	-53.98	405.51	10.06	-43.92
CC1=CC=C(C(C)C)C=C1NC(=O)NC(C[NH+](C)C)C(=O)[O-]	REAL300013268288	0	47	0.0	-57.48	365.11	8.30	-49.18
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=NOC(C2CCC2)=C1	REAL300013268556	0	48	0.0	-51.67	371.83	8.67	-43.00
O=C([O-])C1(NC(=O)NC2=NOC(C3CCC3)=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013268559	0	55	0.0	-50.14	414.32	11.12	-39.02
O=C([O-])C1(NC(=O)NC2=NOC(C3CCC3)=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013268559	1	55	0.0	-57.99	420.26	11.58	-46.41
CC1=NC(C2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)=CO1	REAL300013268861	0	44	0.0	-68.26	362.71	4.48	-63.78
CC1=NC(C2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2)=CO1	REAL300013268873	0	51	0.0	-57.21	403.90	6.36	-50.85
CC1=NC(C2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)=CO1	REAL300013268874	0	44	0.0	-68.26	362.71	4.48	-63.78
CC(C)OC1=CC(F)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013269184	0	45	0.0	-60.53	362.19	6.45	-54.08
CC(C)OC1=CC(F)=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013269195	0	52	0.0	-57.88	402.96	8.30	-49.58
CC(C)OC1=CC(F)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013269196	0	45	0.0	-60.53	362.19	6.45	-54.08
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C2CC2)=C1	REAL300013269464	0	49	0.0	-56.56	376.50	9.48	-47.08
O=C([O-])C1(NC(=O)NC2=CC=CC(C3CC3)=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013269467	0	56	0.0	-52.19	419.34	11.89	-40.30
O=C([O-])C1(NC(=O)NC2=CC=CC(C3CC3)=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013269467	1	56	0.0	-61.58	425.00	12.40	-49.18
CC(C)OC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300013269795	0	48	0.0	-62.06	394.40	7.38	-54.68
CC(C)OC1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300013269802	0	48	0.0	-62.06	394.40	7.38	-54.68
C[NH+](C)CC(NC(=O)NC1=CC=C(C2OC(C)(C)C(C)(C)O2)C=C1)C(=O)[O-]	REAL300013269975	0	56	0.0	-59.86	424.72	7.50	-52.36
C[NH+](C)CC(NC(=O)NC1=CC=C(C2OC(C)(C)C(C)(C)O2)C=C1)C(=O)[O-]	REAL300013269982	0	56	0.0	-59.86	424.72	7.50	-52.36
CCOC1=CC(OCC)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013270215	0	49	0.0	-61.20	388.83	5.97	-55.23
CCOC1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC(OCC)=C1	REAL300013270227	0	56	0.0	-54.38	430.73	7.87	-46.51
CCOC1=CC(OCC)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013270228	0	49	0.0	-61.20	388.83	5.97	-55.23
CC1=CSC(SC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])N=C2)=N1	REAL300013270457	0	44	0.0	-64.27	390.01	6.87	-57.40
CC1=CSC(SC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])N=C2)=N1	REAL300013270463	0	44	0.0	-64.27	390.01	6.87	-57.40
CC(C)C1=CC=C(Cl)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013270699	0	44	0.0	-55.53	360.40	8.00	-47.53
CC(C)C1=CC=C(Cl)C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013270710	0	51	0.0	-52.06	402.73	9.88	-42.18
CC(C)C1=CC=C(Cl)C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013270711	0	44	0.0	-55.53	360.40	8.00	-47.53
CCC1=NC(C2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)=NO1	REAL300013271015	0	46	0.0	-63.91	379.31	5.59	-58.32
CCC1=NC(C2=CC=CC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=C2)=NO1	REAL300013271027	0	53	0.0	-63.49	421.49	7.55	-55.94
CCC1=NC(C2=CC=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C2)=NO1	REAL300013271028	0	46	0.0	-63.91	379.31	5.59	-58.32
C[NH+](C)CC(NC(=O)NC1=CC=CC(C=CC(F)(F)F)=C1)C(=O)[O-]	REAL300013271316	0	42	0.0	-61.75	356.81	7.75	-54.00
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(C=CC(F)(F)F)=C1	REAL300013271328	0	49	0.0	-57.63	398.12	9.65	-47.98
C[NH+](C)CC(NC(=O)NC1=CC=CC(C=CC(F)(F)F)=C1)C(=O)[O-]	REAL300013271329	0	42	0.0	-61.75	356.81	7.75	-54.00
CC(C)C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300013271588	0	47	0.0	-58.72	378.80	8.21	-50.51
CC(C)C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300013271598	0	47	0.0	-58.72	378.80	8.21	-50.51
C[NH+](C)CC(NC(=O)NC1=CC=C(C=CC(F)(F)F)C=C1)C(=O)[O-]	REAL300013271864	0	42	0.0	-57.22	356.60	7.84	-49.38
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C=CC(F)(F)F)C=C1	REAL300013271876	0	49	0.0	-56.43	398.19	9.56	-46.87
C[NH+](C)CC(NC(=O)NC1=CC=C(C=CC(F)(F)F)C=C1)C(=O)[O-]	REAL300013271877	0	42	0.0	-57.22	356.60	7.84	-49.38
C=C(C)C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300013272141	0	45	0.0	-57.62	373.43	8.14	-49.48
C=C(C)C1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1C(F)(F)F	REAL300013272151	0	52	0.0	-55.83	415.45	10.02	-45.81
C=C(C)C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300013272152	0	45	0.0	-57.62	373.43	8.14	-49.48
COC1=CC2=NC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(C)=C2C=C1	REAL300013272425	0	47	0.0	-70.53	375.41	7.20	-63.33
COC1=CC2=NC(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])=CC(C)=C2C=C1	REAL300013272437	0	54	0.0	-65.22	417.56	9.15	-56.07
COC1=CC2=NC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC(C)=C2C=C1	REAL300013272438	0	47	0.0	-70.53	375.41	7.20	-63.33
CC1=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=CC=C1S(C)(=O)=O	REAL300013272730	0	44	0.0	-67.54	355.08	3.86	-63.68
CC1=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=CC=C1S(C)(=O)=O	REAL300013272742	0	51	0.0	-63.97	395.61	5.59	-58.38
CC1=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=CC=C1S(C)(=O)=O	REAL300013272743	0	44	0.0	-67.54	355.08	3.86	-63.68
CCSC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013273031	0	42	0.0	-56.51	362.48	7.78	-48.73
CCSC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1Cl	REAL300013273043	0	49	0.0	-53.30	404.31	9.65	-43.65
CCSC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300013273044	0	42	0.0	-56.51	362.48	7.78	-48.73
CC(C)C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300013273318	0	44	0.0	-58.27	351.11	7.42	-50.85
CC(C)C1=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=CC=C1F	REAL300013273328	0	51	0.0	-53.29	392.08	9.29	-44.00
CC(C)C1=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=CC=C1F	REAL300013273329	0	44	0.0	-58.27	351.11	7.42	-50.85
CC(C)OC1=CC(Cl)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013273637	0	45	0.0	-59.58	372.75	6.84	-52.74
CC(C)OC1=CC(Cl)=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013273649	0	52	0.0	-57.06	413.64	8.72	-48.34
CC(C)OC1=CC(Cl)=CC(NC(=O)NC(C[NH+](C)C)C(=O)[O-])=C1	REAL300013273650	0	45	0.0	-59.58	372.75	6.84	-52.74
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2CCCC2)C(C#N)=C1)C(=O)[O-]	REAL300013273913	0	50	0.0	-68.06	400.27	8.10	-59.96
C[NH+](C)CC(NC(=O)NC1=CC=C(OC2CCCC2)C(C#N)=C1)C(=O)[O-]	REAL300013273923	0	50	0.0	-68.06	400.27	8.10	-59.96
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300013274176	0	49	0.0	-62.32	394.10	8.47	-53.85
COC1=CC=C(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300013274186	0	56	0.0	-57.33	435.04	10.37	-46.96
COC1=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300013274187	0	49	0.0	-62.32	394.10	8.47	-53.85
C[NH+](C)CC(NC(=O)NC1=CN(CC2=NC=CC=N2)N=C1)C(=O)[O-]	REAL300013274469	0	43	0.0	-65.74	359.63	4.42	-61.32
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CN(CC2=NC=CC=N2)N=C1	REAL300013274481	0	50	0.0	-61.94	401.49	6.24	-55.70
C[NH+](C)CC(NC(=O)NC1=CN(CC2=NC=CC=N2)N=C1)C(=O)[O-]	REAL300013274482	0	43	0.0	-65.74	359.63	4.42	-61.32
C[NH+](C)CC(NC(=O)NC1=CC=CC(OC2CCC2)=C1)C(=O)[O-]	REAL300013274790	0	46	0.0	-56.89	363.46	7.11	-49.78
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(OC2CCC2)=C1	REAL300013274801	0	53	0.0	-53.01	405.52	9.02	-43.99
C[NH+](C)CC(NC(=O)NC1=CC=CC(OC2CCC2)=C1)C(=O)[O-]	REAL300013274802	0	46	0.0	-56.89	363.46	7.11	-49.78
C[NH+](C)CC(NC(=O)NC1=CC(N2C=CC=N2)=CC=N1)C(=O)[O-]	REAL300013275120	0	41	0.0	-61.59	341.03	6.47	-55.12
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC(N2C=CC=N2)=CC=N1	REAL300013275130	0	48	0.0	-59.39	382.76	8.23	-51.16
C[NH+](C)CC(NC(=O)NC1=CC(N2C=CC=N2)=CC=N1)C(=O)[O-]	REAL300013275131	0	41	0.0	-61.59	341.03	6.47	-55.12
CC1=CC=CC(C2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)=C1	REAL300013275441	0	48	0.0	-60.43	381.42	9.56	-50.87
CC1=CC=CC(C2=CC=C(NC(=O)NC(C[NH+]3CCCCC3)C(=O)[O-])C=C2)=C1	REAL300013275453	0	55	0.0	-57.00	423.08	11.38	-45.62
CC1=CC=CC(C2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C2)=C1	REAL300013275454	0	48	0.0	-60.43	381.42	9.56	-50.87
CC(F)C1=CC=CC(NC(=O)NC(C[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300013275707	0	48	0.0	-53.72	375.06	8.74	-44.98
CC(F)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300013275710	0	55	0.0	-53.39	417.97	11.22	-42.17
CC(F)C1=CC=CC(NC(=O)NC2(C(=O)[O-])CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300013275710	1	55	0.0	-62.96	423.91	11.71	-51.25
CCS(=O)(=O)N1CCCC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013275909	0	53	0.0	-67.56	417.21	5.74	-61.82
CCS(=O)(=O)N1CCCC2=CC=C(NC(=O)NC(C[NH+](C)C)C(=O)[O-])C=C21	REAL300013275912	0	53	0.0	-67.56	417.21	5.74	-61.82
C[NH+](C)CC(NC(=O)NC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300013276128	0	51	0.0	-56.14	387.97	9.31	-46.83
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=C(C2CCCCC2)C=C1	REAL300013276140	0	58	0.0	-55.10	429.84	11.14	-43.96
C[NH+](C)CC(NC(=O)NC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300013276141	0	51	0.0	-56.14	387.97	9.31	-46.83
O=C([O-])C(C[NH+]1CCCCC1)NC(=O)NC1=CC=CC(CCF)=C1	REAL300013276407	0	48	0.0	-53.86	376.32	8.89	-44.97
O=C([O-])C1(NC(=O)NC2=CC=CC(CCF)=C2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013276410	0	55	0.0	-55.08	419.63	11.37	-43.71
O=C([O-])C1(NC(=O)NC2=CC=CC(CCF)=C2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013276410	1	55	0.0	-60.23	425.55	11.84	-48.39
O=C([O-])COCCOCC[NH2+]C(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1	REAL300013276523	0	47	0.0	-79.35	394.25	9.95	-69.40
O=C([O-])COCCOCC[NH2+]C(C1=CC=CC=C1Cl)C1=CC=CC=C1Cl	REAL300013276524	1	47	0.0	-55.43	406.76	10.39	-45.04
COC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300013276525	0	51	0.0	-76.85	417.34	9.18	-67.67
O=C([O-])COCCOCC[NH2+]C(C1=CC=C(F)C=C1)C1=CC=CC=C1Cl	REAL300013276526	1	47	0.0	-68.42	396.02	10.09	-58.33
O=C([O-])COCCOCC[NH2+]C(C1=CC=CO1)C1=CC=C(Br)C=C1	REAL300013276527	1	44	0.0	-63.81	388.58	8.64	-55.17
COC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300013276528	0	51	0.0	-67.71	419.10	9.32	-58.39
CCC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300013276529	0	53	0.0	-64.64	432.51	11.46	-53.18
CC1=CC(C([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C2Cl)=CC=C1F	REAL300013276530	0	50	0.0	-68.34	416.36	10.72	-57.62
CC1=CC=C(C)C(C([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300013276532	0	53	0.0	-65.09	429.24	11.27	-53.82
O=C([O-])COCCOCC[NH2+]C(C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL300013276533	0	47	0.0	-78.28	404.59	10.41	-67.87
O=C([O-])COCCOCC[NH2+]C(C1=CC=CC(F)=C1)C1=CC=CC(Cl)=C1	REAL300013276534	0	47	0.0	-71.24	404.65	10.40	-60.84
CC(C)C([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C=N1	REAL300013276535	0	45	0.0	-70.79	367.45	6.18	-64.61
CC(C)C(CSC1=CC=CC=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276536	0	50	0.0	-63.85	398.05	9.21	-54.64
CCC1=NOC(C2CCC([NH2+]CCOCCOCC(=O)[O-])CC2)=N1	REAL300013276537	0	51	0.0	-65.80	393.99	5.00	-60.80
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C=N1	REAL300013276538	0	42	0.0	-58.93	347.21	6.21	-52.72
CC1=CC=C2CC(C)C([NH2+]CCOCCOCC(=O)[O-])C2=C1	REAL300013276539	0	47	0.0	-58.67	367.51	8.72	-49.95
CC1=CC=C2NC3=C(CC([NH2+]CCOCCOCC(=O)[O-])CC3)C2=C1	REAL300013276540	0	51	0.0	-68.70	401.61	8.38	-60.32
CC(=O)N1CCC([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C2C1	REAL300013276541	0	51	0.0	-59.06	387.58	7.86	-51.20
O=C([O-])COCCOCC[NH2+]C1CCN(CCC(F)(F)F)CC1	REAL300013276542	0	48	0.0	-66.67	382.94	4.85	-61.82
CC([NH2+]CCOCCOCC(=O)[O-])C1CCN(CC2=CC=CC=C2)C1	REAL300013276543	1	55	0.0	-65.87	421.30	6.88	-58.99
CC1(C)CC([NH2+]CCOCCOCC(=O)[O-])CC(C)(C)C1	REAL300013276544	0	52	0.0	-62.89	381.24	7.52	-55.37
CCOC(=O)N1CCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013276545	0	48	0.0	-70.36	379.91	5.20	-65.16
O=C([O-])COCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1=CC=CC=C1	REAL300013276546	1	56	0.0	-66.57	419.58	7.42	-59.15
CC(=O)NC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276548	0	47	0.0	-72.94	381.77	5.70	-67.24
CC(C)C([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1F	REAL300013276549	0	46	0.0	-67.55	374.17	8.45	-59.10
O=C([O-])COCCOCC[NH2+]C1CCCOC2=CC(F)=CC=C21	REAL300013276550	0	45	0.0	-59.53	357.28	7.25	-52.28
CSCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300013276551	0	47	0.0	-69.29	407.54	8.98	-60.31
CC1=CC=CC=C1C([NH2+]CCOCCOCC(=O)[O-])C1CCC(C)CC1	REAL300013276552	0	59	0.0	-61.28	434.14	10.83	-50.45
CC1=CC=CC=C1C([NH2+]CCOCCOCC(=O)[O-])C1CCCC(C)C1	REAL300013276553	0	59	0.0	-61.26	434.48	10.86	-50.40
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276554	0	49	0.0	-66.75	395.36	6.94	-59.81
O=C([O-])COCCOCC[NH2+]C(C1=CC=CC(Cl)=C1)C1CCCCC1	REAL300013276555	0	53	0.0	-69.12	419.79	10.44	-58.68
CC1(C)C([NH2+]CCOCCOCC(=O)[O-])CC1C1=CC=CC=C1	REAL300013276556	0	50	0.0	-65.06	387.42	9.15	-55.91
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(Br)=CC=C1O	REAL300013276557	0	41	0.0	-64.20	354.93	4.81	-59.39
COC(=O)C1=CC=CC(NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013276558	0	53	0.0	-82.58	434.72	6.58	-76.00
CCOC(=O)C1CCN(C(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013276559	0	59	0.0	-64.47	459.92	7.74	-56.73
O=C([O-])COCCOCC[NH2+]C1CCCC2=C(Br)C=CC=C21	REAL300013276560	0	44	0.0	-64.76	362.93	8.37	-56.39
COC1=CC=CC(CC(C)[NH2+]CCOCCOCC(=O)[O-])=N1	REAL300013276561	0	46	0.0	-69.69	374.54	4.23	-65.46
CSC1=CC=CC=C1CC(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276562	0	47	0.0	-59.63	376.81	8.78	-50.85
CCC1=CC=C(C(CN2CCOCC2)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276563	0	59	0.0	-67.51	456.36	6.94	-60.57
COC1=CC(C)=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1C	REAL300013276564	0	50	0.0	-65.93	389.40	7.43	-58.50
O=C([O-])COCCOCC[NH2+]C(C1=CC=C(F)C=C1)C1=CC=CC=N1	REAL300013276565	1	46	0.0	-70.94	385.60	8.49	-62.45
O=C([O-])COCCOCC[NH2+]C(C1=CC=C(F)C=C1)C1=CC=CN=C1	REAL300013276566	0	46	0.0	-79.41	382.88	8.06	-71.35
CC1=CC(C([NH2+]CCOCCOCC(=O)[O-])C2=CC=CN=C2)=CC=C1F	REAL300013276567	0	49	0.0	-79.43	403.22	8.70	-70.73
O=C([O-])COCCOCC[NH2+]C(C1=CC=CN=C1)C1=CC=C(F)C=C1F	REAL300013276568	1	46	0.0	-69.12	388.96	8.24	-60.88
O=C([O-])COCCOCC[NH2+]C(C1=CC=C(F)C=C1)C1=CC2=CC=CC=C2N=C1	REAL300013276569	0	52	0.0	-72.31	429.01	10.22	-62.09
CCC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300013276570	1	52	0.0	-72.22	438.88	10.30	-61.92
O=C([O-])COCCOCC[NH2+]C(C1=CC=CC=C1)C1=CC=C(F)C=N1	REAL300013276571	1	46	0.0	-60.85	386.12	8.27	-52.58
COC(=O)COC1=CC=CC=C1C(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276572	0	50	0.0	-65.26	409.28	7.88	-57.38
CC([NH2+]CCOCCOCC(=O)[O-])C1=C(O)C2=CC=CC=C2C=C1	REAL300013276573	0	47	0.0	-65.09	378.12	6.53	-58.56
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(F)=CC=C1O	REAL300013276574	0	41	0.0	-65.02	340.03	4.24	-60.78
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(Cl)=CC=C1O	REAL300013276575	0	41	0.0	-64.28	350.36	4.70	-59.58
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC(Br)=CC=C1O	REAL300013276576	0	44	0.0	-64.28	369.69	5.44	-58.84
COC1=CC=C(O)C(C(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013276577	0	45	0.0	-63.46	363.11	3.47	-59.99
CC1CC([NH2+]CCOCCOCC(=O)[O-])C2=C(O)C=CC(F)=C21	REAL300013276578	0	45	0.0	-68.99	366.11	4.86	-64.13
CC1=CC=C(O)C2=C1C(C)CC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013276579	0	48	0.0	-63.28	377.21	5.58	-57.70
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C=C1O	REAL300013276580	1	41	0.0	-67.01	340.04	4.24	-62.77
CC1=CC=C(S(=O)(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276581	0	49	0.0	-75.98	405.47	5.57	-70.41
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(F)=CC(F)=C1O	REAL300013276582	1	41	0.0	-67.90	346.24	4.32	-63.58
CC1=CC=C(S(=O)(=O)C2CCCCC2[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276583	0	56	0.0	-73.77	443.40	7.12	-66.65
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Br)C=C1O	REAL300013276584	0	41	0.0	-66.21	354.95	4.80	-61.41
CC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C(O)=C1C	REAL300013276587	0	47	0.0	-65.47	371.71	5.39	-60.08
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC2=C(C=C1O)CCCC2	REAL300013276588	0	51	0.0	-65.91	397.37	6.60	-59.31
COC(=O)C1=CC=C(O)C(C(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013276589	1	47	0.0	-66.70	388.32	4.84	-61.86
O=C([O-])COCCOCC[NH2+]C(C1=NC=CN1)C1=CC=CC=C1	REAL300013276592	1	44	0.0	-71.37	364.48	6.54	-64.83
CC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C2CCC2)O1	REAL300013276593	0	47	0.0	-61.71	371.09	7.52	-54.19
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(Br)=C(F)C=C1O	REAL300013276594	1	41	0.0	-69.70	361.63	4.78	-64.92
O=C([O-])COCCOCC[NH2+]C1CCCC1C1=CC=CC=C1Cl	REAL300013276595	0	47	0.0	-63.05	377.38	9.30	-53.75
O=C([O-])COCCOCC[NH2+]C1CCCC2=C(Cl)C=CC=C21	REAL300013276596	0	44	0.0	-64.69	358.91	8.28	-56.41
COC(=O)N1CCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013276597	0	45	0.0	-70.67	358.04	4.27	-66.40
CC(C)COC(=O)N1CCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013276598	0	54	0.0	-70.67	421.51	6.65	-64.02
CC1=CC=C(C(CCN2C=NC=N2)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276599	0	52	0.0	-69.41	422.95	10.66	-58.75
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(Br)=NC=C1F	REAL300013276600	0	39	0.0	-68.95	346.97	5.67	-63.28
O=C([O-])COCCOCC[NH2+]C1CCC2(CC1)OCCO2	REAL300013276601	0	46	0.0	-63.85	355.79	4.48	-59.37
CCOC(=O)C1CCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013276602	0	49	0.0	-70.74	386.71	7.16	-63.58
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(Cl)=C1F	REAL300013276603	0	43	0.0	-68.03	363.82	8.07	-59.96
CC(CCC1=CSC=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276604	0	43	0.0	-64.54	358.25	7.28	-57.26
CC(C)OC1CC([NH2+]CCOCCOCC(=O)[O-])C1(C)C	REAL300013276605	0	50	0.0	-64.38	390.25	6.66	-57.72
O=C([O-])COCCOCC[NH2+]C1CCC(C(F)(F)F)CC1	REAL300013276606	0	43	0.0	-63.96	341.12	6.74	-57.22
CC(C)C1=NC(C(C)[NH2+]CCOCCOCC(=O)[O-])=CS1	REAL300013276607	1	45	0.0	-64.80	372.72	6.05	-58.75
CC(CCCCN1C(=O)C2=CC=CC=C2C1=O)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276608	0	56	0.0	-68.93	456.11	8.70	-60.23
CC1=CC=C(C)C2=C1CCCC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013276609	0	50	0.0	-64.05	374.96	9.30	-54.75
COC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])SC=C1	REAL300013276610	0	41	0.0	-59.34	347.22	5.17	-54.17
O=C([O-])COCCOCC[NH2+]C1CCCNC2=CC=CC=C21	REAL300013276611	0	46	0.0	-56.69	354.75	7.03	-49.66
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C=N1	REAL300013276612	0	39	0.0	-62.00	339.08	5.66	-56.34
CC(CCCC(F)(F)F)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276613	0	42	0.0	-65.21	347.98	6.48	-58.73
O=C([O-])COCCOCC[NH2+]C(CCC1=CC=CC=C1)C1=CC=CC=C1O	REAL300013276614	0	54	0.0	-66.73	432.37	8.54	-58.19
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC(Cl)=CC=C1O	REAL300013276615	0	44	0.0	-64.29	365.13	5.33	-58.96
CC([NH2+]CCOCCOCC(=O)[O-])C1(C2=CC=CC=C2)CCCC1	REAL300013276617	0	53	0.0	-62.70	388.00	9.45	-53.25
CC([NH2+]CCOCCOCC(=O)[O-])C1=NC=C(Br)C=C1F	REAL300013276618	1	39	0.0	-61.58	348.96	5.60	-55.98
CC1=CC(Br)=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=C1O	REAL300013276619	0	44	0.0	-66.63	375.74	5.50	-61.13
CC1=CC2=C(C=C1C)C([NH2+]CCOCCOCC(=O)[O-])CCS2	REAL300013276620	0	48	0.0	-68.16	382.75	8.84	-59.32
CC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C2CCC2)C=C1	REAL300013276621	0	50	0.0	-63.19	384.48	9.14	-54.05
COCC([NH2+]CCOCCOCC(=O)[O-])C1CCOCC1	REAL300013276623	0	48	0.0	-62.18	368.19	3.79	-58.39
COC1=CC=C(C(CCN2C=NC=N2)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276624	0	53	0.0	-83.52	431.07	9.27	-74.25
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300013276625	0	49	0.0	-68.43	385.31	9.66	-58.77
O=C([O-])COCCOCC[NH2+]C1CCC(CC2=CC=CC=C2)C1	REAL300013276626	0	50	0.0	-66.92	393.37	9.38	-57.54
CC1(C2=CC=CC=C2)CCC([NH2+]CCOCCOCC(=O)[O-])C1	REAL300013276627	0	50	0.0	-65.64	387.14	8.87	-56.77
CC(C)C(COCC1=CC=CC=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276628	0	53	0.0	-68.23	411.43	8.61	-59.62
CC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C2CCCC2)C=C1	REAL300013276629	0	53	0.0	-61.80	409.47	10.01	-51.79
O=C([O-])COCCOCC[NH2+]C1CCC(C2=CC=C(F)C=C2)C1	REAL300013276630	0	47	0.0	-68.92	377.71	8.61	-60.31
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Br)C=C1Cl	REAL300013276631	0	43	0.0	-65.57	377.98	8.57	-57.00
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC2=CC=CC=C2S1	REAL300013276632	0	43	0.0	-63.05	364.46	8.31	-54.74
O=C([O-])COCCOCC[NH2+]C1CCCC(C(F)(F)F)C1	REAL300013276633	0	43	0.0	-66.13	341.13	6.73	-59.40
N#CC1(C2=CC=CC=C2)CC([NH2+]CCOCCOCC(=O)[O-])C1	REAL300013276634	0	45	0.0	-75.57	373.49	8.02	-67.55
COC1=CC=C2SCCCC([NH2+]CCOCCOCC(=O)[O-])C2=C1	REAL300013276635	0	49	0.0	-58.89	385.14	7.66	-51.23
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Br)C=C1F	REAL300013276636	0	40	0.0	-68.37	351.55	7.59	-60.78
O=C([O-])COCCOCC[NH2+]C(C1=CC=C(Br)S1)C1CC1	REAL300013276637	0	41	0.0	-65.85	371.44	8.10	-57.75
O=C([O-])COCCOCC[NH2+]C1CCCCC1N1C=CC([N+](=O)[O-])=N1	REAL300013276638	0	49	0.0	-72.94	390.67	8.78	-64.16
CC(C)[C@H]1CC[C@@H](C)CC1[NH2+]CCOCCOCC(=O)[O-]	REAL300013276639	0	52	0.0	-57.21	362.17	7.96	-49.25
CCCC([NH2+]CCOCCOCC(=O)[O-])C1=CSC=C1	REAL300013276640	0	43	0.0	-67.40	356.48	7.32	-60.08
O=C([O-])COCCOCC[NH2+]C1CCC2(CCCCC2)CC1	REAL300013276641	0	53	0.0	-63.24	378.76	8.09	-55.15
COC1=CC=C2SCCC([NH2+]CCOCCOCC(=O)[O-])C2=C1	REAL300013276642	0	46	0.0	-65.75	373.06	6.90	-58.85
CC([NH2+]CCOCCOCC(=O)[O-])C1=CSC(Cl)=C1	REAL300013276643	0	37	0.0	-65.46	333.18	6.39	-59.07
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=NN1C(C)(C)C	REAL300013276644	0	52	0.0	-66.18	398.53	6.76	-59.42
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=NN1C(C)C	REAL300013276645	0	49	0.0	-65.27	389.26	6.56	-58.71
CC([NH2+]CCOCCOCC(=O)[O-])C1CCC(F)(F)CC1	REAL300013276646	0	46	0.0	-66.85	353.55	6.95	-59.90
COC1=CC=C2C(=C1)C(C)(C)CC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013276647	0	51	0.0	-73.60	394.29	7.55	-66.05
CC(C)CCC([NH2+]CCOCCOCC(=O)[O-])C1=COC=C1	REAL300013276648	0	49	0.0	-67.43	387.24	7.61	-59.82
COC1=CC=C2C(=C1OC)CCC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013276650	0	49	0.0	-76.50	392.53	6.42	-70.08
CC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C2CCCCC2)C=C1	REAL300013276651	0	56	0.0	-63.59	417.68	10.42	-53.17
CC(CC1=CC=C(Br)C=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276652	0	43	0.0	-63.42	367.44	8.19	-55.23
O=C([O-])COCCOCC[NH2+]C1CCCC(C2=CC=CC=C2)C1	REAL300013276653	0	50	0.0	-65.80	387.43	9.04	-56.76
CC1=CC=C2C=C(C(C)[NH2+]CCOCCOCC(=O)[O-])OC2=C1	REAL300013276654	0	46	0.0	-64.39	377.54	7.93	-56.46
COC1=CC=CC2=C1CCC([NH2+]CCOCCOCC(=O)[O-])C2	REAL300013276655	0	48	0.0	-68.08	376.77	7.11	-60.97
O=C([O-])COCCOCC[NH2+]C(CC1=CC=CC=C1F)C1=CC=CC=C1	REAL300013276656	0	50	0.0	-66.31	410.10	10.60	-55.71
O=C([O-])COCCOCC[NH2+]C1CCC(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300013276657	0	53	0.0	-67.04	426.17	10.04	-57.00
CCOC(=O)C1=C(C)C2=C(CCCC2[NH2+]CCOCCOCC(=O)[O-])O1	REAL300013276659	0	53	0.0	-68.30	420.66	8.32	-59.98
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(Cl)=C(Cl)C=C1O	REAL300013276660	1	41	0.0	-69.11	366.54	5.08	-64.03
O=C([O-])COCCOCC[NH2+]C1CCCN(C(=O)OC2=CC=CC=C2)CC1	REAL300013276661	0	55	0.0	-73.91	432.23	8.87	-65.04
O=C([O-])COCCOCC[NH2+]C1CCC(C2CCCCC2)CC1	REAL300013276662	0	56	0.0	-60.88	401.28	9.42	-51.46
COC(=O)C1=COC(C(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013276663	0	43	0.0	-70.05	366.32	5.61	-64.44
O=C([O-])COCCOCC[NH2+]C(CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300013276664	0	50	0.0	-70.82	409.92	10.66	-60.16
CC(C)C1CC([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL300013276665	0	50	0.0	-65.07	386.55	8.91	-56.16
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C#N)C=C1	REAL300013276666	0	44	0.0	-72.94	364.98	7.85	-65.09
O=C([O-])COCCOCC[NH2+]C1CCCC2=CC=C([N+](=O)[O-])C=C21	REAL300013276667	0	46	0.0	-72.83	373.05	8.52	-64.31
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N2CCNC2=O)C=C1	REAL300013276668	0	50	0.0	-76.16	397.87	5.54	-70.62
CC1=CC(Br)=CC2=C1C([NH2+]CCOCCOCC(=O)[O-])CC2	REAL300013276669	0	44	0.0	-64.93	368.72	8.65	-56.28
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(Br)=CS1	REAL300013276670	0	37	0.0	-64.08	338.97	6.51	-57.57
COCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013276671	0	44	0.0	-64.60	372.19	6.67	-57.93
COC(C1=CC=CC=C1)C(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276672	0	47	0.0	-66.64	374.63	6.55	-60.09
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1SC(C)(C)C	REAL300013276673	0	53	0.0	-60.95	409.96	9.44	-51.51
CC1(C)CC([NH2+]CCOCCOCC(=O)[O-])C2=CC([N+](=O)[O-])=CC=C21	REAL300013276674	0	49	0.0	-68.65	393.63	8.93	-59.72
CCC(C)(C)C1CCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013276675	0	55	0.0	-60.63	386.78	8.32	-52.31
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Br)C=C1	REAL300013276676	0	40	0.0	-67.04	346.69	7.46	-59.58
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(Br)=C1	REAL300013276677	0	40	0.0	-65.15	346.68	7.45	-57.70
COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C(OC)=C1	REAL300013276678	0	48	0.0	-66.16	382.58	5.57	-60.59
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300013276679	0	46	0.0	-66.49	367.28	9.03	-57.46
O=C([O-])COCCOCC[NH2+]C1CCCCCCCCCCC1	REAL300013276680	0	58	0.0	-63.57	414.88	9.62	-53.95
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300013276681	0	42	0.0	-76.84	353.61	7.51	-69.33
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013276682	0	40	0.0	-66.82	342.12	7.35	-59.47
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013276683	0	40	0.0	-64.66	338.57	7.29	-57.37
CC([NH2+]CCOCCOCC(=O)[O-])C1CCC(C(F)(F)F)CC1	REAL300013276684	0	49	0.0	-68.06	375.69	7.58	-60.48
CC([NH2+]CCOCCOCC(=O)[O-])[C@@H]1C[C@H]1C1=CC=C(Cl)S1	REAL300013276685	0	44	0.0	-66.31	380.94	8.45	-57.86
CN1N=CC=C1C1CCCC([NH2+]CCOCCOCC(=O)[O-])C1	REAL300013276686	0	50	0.0	-71.96	388.98	6.63	-65.33
O=C([O-])COCCOCC[NH2+]C1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300013276687	0	55	0.0	-70.94	439.81	8.24	-62.70
O=C([O-])COCCOCC[NH2+]C(C1=CC=C(Br)C=C1F)C1CC1	REAL300013276688	0	44	0.0	-66.45	371.61	8.70	-57.75
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C)C=C1O	REAL300013276689	0	47	0.0	-63.77	370.14	5.47	-58.30
CC1(C)CC([NH2+]CCOCCOCC(=O)[O-])C2=CC(Br)=CC=C21	REAL300013276690	0	47	0.0	-72.22	386.10	8.87	-63.35
COC1=CC=C(C(C)C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1OC	REAL300013276691	0	54	0.0	-70.14	420.64	7.02	-63.12
CC([NH2+]CCOCCOCC(=O)[O-])C(C)(C)N1C=NC=N1	REAL300013276693	0	45	0.0	-68.84	350.12	7.34	-61.50
COC(=O)CC1CCC([NH2+]CCOCCOCC(=O)[O-])C1C	REAL300013276694	0	49	0.0	-70.34	377.70	7.14	-63.20
CC1=CC(C)=C(S(N)(=O)=O)C=C1C(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276695	0	51	0.0	-70.33	409.11	3.04	-67.29
CC1CCC([NH2+]CCOCCOCC(=O)[O-])C(N2C=NC=N2)C1	REAL300013276696	0	49	0.0	-67.15	383.09	8.50	-58.65
CC([NH2+]CCOCCOCC(=O)[O-])C(C)C1=CC=C(Cl)C=C1	REAL300013276697	0	46	0.0	-68.39	378.67	8.34	-60.05
CC(C)CC1CCCC([NH2+]CCOCCOCC(=O)[O-])C1	REAL300013276698	0	52	0.0	-63.95	387.91	8.11	-55.84
CC1=CC=C2NC3=C(CCCC3[NH2+]CCOCCOCC(=O)[O-])C2=C1	REAL300013276699	0	51	0.0	-66.78	401.08	8.47	-58.31
O=C([O-])COCCOCC[NH2+]C1CCCC2=CC(Br)=CC=C21	REAL300013276700	0	44	0.0	-67.68	366.35	8.45	-59.23
CC(C)C([NH2+]CCOCCOCC(=O)[O-])C1=CC(F)=CC=C1F	REAL300013276701	0	46	0.0	-68.30	367.30	8.03	-60.27
CC(C)CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(Br)=C1	REAL300013276702	0	49	0.0	-65.82	403.06	9.32	-56.50
O=C([O-])COCCOCC[NH2+]C1CCCC2=CC=C(O)C=C21	REAL300013276703	0	45	0.0	-65.61	355.83	5.00	-60.61
O=C([O-])COCCOCC[NH2+]C(C1=CC=CN=C1)C1CCC1	REAL300013276704	0	46	0.0	-68.56	364.59	6.86	-61.70
CC1(C)CCC([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL300013276705	0	50	0.0	-62.54	378.30	8.69	-53.85
N#CC1=CC=C2C(=C1)CCCCC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013276706	0	48	0.0	-69.71	377.50	9.38	-60.33
CC(CC1=CC=CC=C1C(F)(F)F)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276707	0	46	0.0	-67.12	374.58	8.20	-58.92
CC1=NOC(C2CCC([NH2+]CCOCCOCC(=O)[O-])CC2)=N1	REAL300013276708	0	48	0.0	-71.92	382.50	4.78	-67.14
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1O	REAL300013276709	1	44	0.0	-70.44	371.90	5.22	-65.22
CC1(C)CCC2=CC=CC=C2C([NH2+]CCOCCOCC(=O)[O-])C1	REAL300013276711	0	53	0.0	-62.13	390.99	9.27	-52.86
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N)C([N+](=O)[O-])=C1	REAL300013276712	0	44	0.0	-71.87	366.06	5.58	-66.29
O=C([O-])COCCOCC[NH2+]C(C1=CC=C(Cl)C=C1)C1CCCC1	REAL300013276713	0	50	0.0	-67.21	395.06	9.55	-57.66
O=C([O-])COCCOCC[NH2+]C(C1=CN=CC(F)=C1)C1CC1	REAL300013276714	0	43	0.0	-69.09	358.52	6.57	-62.52
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=NN1C1=CC=CC=C1	REAL300013276715	0	47	0.0	-68.88	378.48	7.53	-61.35
CC(CC1=CC=CC(C(F)(F)F)=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276716	0	46	0.0	-68.44	385.00	8.57	-59.87
CC1=CC=CN=C1C1CCCC([NH2+]CCOCCOCC(=O)[O-])C1	REAL300013276717	0	52	0.0	-68.78	395.95	8.14	-60.64
O=C([O-])COCCOCC[NH2+]C1CCCC2=C(O)C=CC=C21	REAL300013276718	0	45	0.0	-65.63	354.55	5.08	-60.55
CC(CC(C)(C)C1=CNC2=CC=CC=C12)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276719	0	56	0.0	-68.81	422.74	9.16	-59.65
COC1=CC=CC2=C1CCCC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013276720	0	48	0.0	-67.30	373.21	7.19	-60.11
O=C([O-])COCCOCC[NH2+]C1CCC(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300013276721	0	50	0.0	-68.71	409.75	9.53	-59.18
COCCCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C=C1	REAL300013276722	0	50	0.0	-74.64	405.78	7.49	-67.15
CSC1=CC=CC=C1C(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276723	0	44	0.0	-61.45	360.28	7.77	-53.68
CC1=CC(C)=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C(O)=C1	REAL300013276724	0	47	0.0	-64.84	369.44	5.72	-59.12
O=C([O-])COCCOCC[NH2+]C(C1=CC=CC=C1F)C1CC2CCC1C2	REAL300013276725	0	54	0.0	-63.78	405.60	10.06	-53.72
O=C([O-])COCCOCC[NH2+]C1CCCC12CCOCC2	REAL300013276726	0	48	0.0	-64.66	355.50	5.81	-58.85
O=C([O-])COCCOCC[NH2+]C1CCCC(C2=CC=CN=C2)C1	REAL300013276727	0	49	0.0	-69.49	376.00	7.46	-62.03
O=C([O-])COCCOCC[NH2+]C1CCC2=CC=C(Br)C=C21	REAL300013276728	0	41	0.0	-72.86	351.16	7.71	-65.15
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Br)S1	REAL300013276729	0	37	0.0	-63.48	339.16	6.60	-56.88
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1C(F)(F)F	REAL300013276730	0	43	0.0	-66.21	352.19	7.54	-58.67
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300013276731	0	42	0.0	-73.48	353.61	7.49	-65.99
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300013276732	0	50	0.0	-66.51	399.57	10.26	-56.25
CC(CC(=O)NC1=CC=CC=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276733	0	47	0.0	-72.23	379.64	5.92	-66.31
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300013276734	0	46	0.0	-66.30	371.34	9.10	-57.20
O=C([O-])COCCOCC[NH2+]C1CCN(CC2=CC=CC=C2)CC1	REAL300013276735	0	52	0.0	-63.13	403.37	6.79	-56.34
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)S1	REAL300013276736	0	37	0.0	-63.47	334.53	6.50	-56.97
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1Br	REAL300013276737	0	40	0.0	-64.67	342.02	7.37	-57.30
CC(C)(C)C1CCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013276738	0	52	0.0	-62.39	379.00	7.60	-54.79
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C2CCCCC2)C=C1	REAL300013276739	0	56	0.0	-63.31	427.25	10.65	-52.66
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013276740	0	40	0.0	-67.77	357.29	7.80	-59.97
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300013276741	0	43	0.0	-67.73	360.33	7.94	-59.79
COC1=CC2=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C2C=C1	REAL300013276742	0	50	0.0	-68.69	400.71	8.40	-60.29
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013276743	0	43	0.0	-67.02	364.11	7.83	-59.19
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300013276744	0	40	0.0	-65.10	342.12	7.34	-57.76
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(Cl)=CC=C1Cl	REAL300013276745	0	40	0.0	-63.03	354.03	7.82	-55.21
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1Cl	REAL300013276746	0	40	0.0	-67.51	355.28	7.82	-59.69
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C2OCOC2=C1	REAL300013276747	0	43	0.0	-69.02	351.44	5.49	-63.53
COC1=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=CC(OC)=C1OC	REAL300013276748	0	52	0.0	-73.13	417.26	5.98	-67.15
O=C([O-])COCCOCC[NH2+]C1CCC(C2=CC=CC=C2)CC1	REAL300013276749	0	50	0.0	-68.53	381.00	9.30	-59.23
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013276750	0	43	0.0	-67.06	360.91	7.95	-59.11
CC(=O)NC1=CC=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013276751	0	47	0.0	-66.51	381.75	5.72	-60.79
CCN(CC)C(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276752	0	49	0.0	-58.00	383.91	6.08	-51.92
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OC(F)F)C=C1	REAL300013276753	0	44	0.0	-67.18	364.64	6.40	-60.78
COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1OC	REAL300013276754	0	48	0.0	-69.15	384.12	6.04	-63.11
COC1=CC=C(OC)C(C(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013276755	0	48	0.0	-62.41	382.40	5.58	-56.83
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC2=CC=CC=C2O1	REAL300013276756	0	43	0.0	-64.45	356.16	7.26	-57.19
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C(Cl)=C1Cl	REAL300013276757	0	40	0.0	-71.19	368.92	8.22	-62.97
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N2C=CN=C2)C=C1	REAL300013276758	0	47	0.0	-72.63	381.34	9.21	-63.42
COC1=CC=C(NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276759	0	51	0.0	-73.22	409.14	5.21	-68.01
COC1=CC=CC=C1NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276760	0	51	0.0	-69.89	408.45	5.33	-64.56
CC(CCC1=CC=C2OCOC2=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276761	0	49	0.0	-70.30	394.33	7.00	-63.30
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C2OCCOC2=C1	REAL300013276762	0	46	0.0	-68.87	369.88	5.99	-62.88
CC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300013276763	0	45	0.0	-72.76	369.60	8.03	-64.73
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300013276764	0	51	0.0	-67.20	403.07	6.78	-60.42
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OC(F)F)C=C1	REAL300013276765	0	47	0.0	-67.42	383.41	7.01	-60.41
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300013276766	0	52	0.0	-63.39	401.61	9.16	-54.23
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OC(F)F)C=C1OC(F)F	REAL300013276767	0	48	0.0	-69.85	401.88	6.16	-63.69
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1OC(F)F	REAL300013276768	0	44	0.0	-66.10	362.67	6.58	-59.52
CC([NH2+]CCOCCOCC(=O)[O-])C1=C(OC(F)F)C2=CC=CC=C2C=C1	REAL300013276769	0	50	0.0	-64.63	406.00	8.77	-55.86
CC(CC(=O)NC1=CC=CC([N+](=O)[O-])=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276770	0	49	0.0	-74.66	408.12	6.58	-68.08
CC(CC(=O)NC1=CC=CC=C1C(F)(F)F)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276771	0	50	0.0	-68.63	413.58	7.16	-61.47
CC(CC(=O)NC1=CC=CC(C(F)(F)F)=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276772	0	50	0.0	-71.41	418.36	6.94	-64.47
CC(CC(=O)NC1=CC=C([N+](=O)[O-])C=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276773	0	49	0.0	-82.67	407.83	6.59	-76.08
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300013276774	0	51	0.0	-69.23	414.05	9.68	-59.55
COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C(F)=C1	REAL300013276775	0	44	0.0	-68.50	359.73	6.25	-62.25
CC(CC12CC3CC(CC(C3)C1)C2)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276776	0	57	0.0	-65.48	401.52	9.38	-56.10
CC1=CC=C(NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-])C(C)=C1	REAL300013276777	0	53	0.0	-72.85	419.82	7.48	-65.37
CC1=CC=C(Cl)C=C1NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276778	0	50	0.0	-62.62	415.15	7.34	-55.28
CC(CC(=O)NC1=CC=CC(Cl)=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276779	0	47	0.0	-71.37	396.65	6.44	-64.93
CC1=CC=CC(C([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC(F)=C2)=C1	REAL300013276780	0	50	0.0	-69.12	409.29	10.55	-58.57
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276781	0	49	0.0	-70.75	407.00	9.35	-61.40
CC1=CC(OCCCC(C)[NH2+]CCOCCOCC(=O)[O-])=CC=C1Cl	REAL300013276782	0	53	0.0	-66.10	433.69	9.04	-57.06
O=C([O-])COCCOCC[NH2+]C1CCCCC2=CC(Br)=CC=C21	REAL300013276784	0	47	0.0	-63.79	377.97	9.61	-54.18
CCOC(=O)C1CCC([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL300013276785	0	53	0.0	-69.64	415.42	9.32	-60.32
CC(C)C([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300013276786	0	58	0.0	-59.46	432.12	10.49	-48.97
O=C([O-])COCCOCC[NH2+]C1CCCC1C1=CC=CC(C(F)(F)F)=C1	REAL300013276787	0	50	0.0	-61.61	400.57	9.89	-51.72
COC1=NC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1Cl	REAL300013276788	0	43	0.0	-70.42	368.57	4.07	-66.35
CC(C)OC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1Cl	REAL300013276789	0	50	0.0	-67.45	410.70	8.23	-59.22
CCCCOC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276790	0	53	0.0	-65.54	419.73	8.65	-56.89
CC1=CC=CC=C1CC([NH2+]CCOCCOCC(=O)[O-])C1CC1	REAL300013276791	0	50	0.0	-65.40	387.53	9.28	-56.12
CC(C)CC1=CC=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013276792	0	52	0.0	-62.92	406.59	9.51	-53.41
COC1=C(C)C=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1Cl	REAL300013276793	0	47	0.0	-66.89	394.92	7.53	-59.36
O=C([O-])COCCOCC[NH2+]C(C1=NC=CN1)C1CCCCC1	REAL300013276794	0	50	0.0	-59.76	387.98	5.98	-53.78
COC1=CC=C(CC(C)[NH2+]CCOCCOCC(=O)[O-])C(C)=C1OC	REAL300013276795	0	54	0.0	-66.29	421.06	7.26	-59.03
COC(=O)C1=CSC(C(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013276796	0	43	0.0	-68.00	373.60	6.55	-61.45
N#CC1=CC=C(N2CCC([NH2+]CCOCCOCC(=O)[O-])CC2)C=C1	REAL300013276797	0	50	0.0	-70.93	399.40	6.92	-64.01
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C2NC(=O)COC2=C1	REAL300013276798	0	46	0.0	-73.33	376.11	4.07	-69.26
CC1=C(Br)SC(C(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013276799	0	40	0.0	-63.52	358.76	7.20	-56.32
CC(CCN1C(=O)C2=CC=CC=C2C1=O)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276802	0	50	0.0	-66.90	413.11	7.15	-59.75
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300013276803	0	47	0.0	-74.05	390.38	7.39	-66.66
O=C([O-])COCCOCC[NH2+]C1CCCCCC1C1=CC=C(Cl)C=C1	REAL300013276804	0	53	0.0	-67.33	408.92	10.36	-56.97
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1N1C=CN=N1	REAL300013276805	0	46	0.0	-68.23	369.19	6.84	-61.39
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C=C1O	REAL300013276806	1	44	0.0	-66.45	357.68	4.82	-61.63
COC1=CC=C(C(CC2=CC=NC=C2)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276807	0	53	0.0	-76.54	428.36	7.95	-68.59
COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C(C)=C1OC	REAL300013276808	0	51	0.0	-69.45	400.58	6.71	-62.74
O=C([O-])COCCOCC[NH2+]C(C1=CC=CC(OC(F)(F)F)=C1)C1CC1	REAL300013276809	0	48	0.0	-67.78	396.30	7.86	-59.92
CC(CCC1=CC=C(F)C=C1F)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276811	0	46	0.0	-68.35	380.14	8.46	-59.89
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(N2C=CN=N2)=C1	REAL300013276812	0	46	0.0	-71.24	377.81	6.74	-64.50
COCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(Cl)=C1F	REAL300013276813	0	44	0.0	-66.15	378.31	6.69	-59.46
O=C([O-])COCCOCC[NH2+]C1CCCC2=C1NC1=CC=CC=C12	REAL300013276816	0	48	0.0	-66.65	379.82	7.80	-58.85
CC(C)CCC([NH2+]CCOCCOCC(=O)[O-])C(C)(C)C	REAL300013276817	0	54	0.0	-63.49	394.36	8.35	-55.14
CCCCCC([NH2+]CCOCCOCC(=O)[O-])C(C)(C)C	REAL300013276818	0	54	0.0	-62.87	397.96	8.60	-54.27
CC(C)(C)C(CCC1CCCC1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276819	0	58	0.0	-61.59	420.49	9.54	-52.05
COC1=CC=C2C(=C1F)CCC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013276820	0	45	0.0	-70.14	367.46	6.65	-63.49
CC(CC1=CC=C(F)C=C1Br)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276821	0	43	0.0	-63.36	370.35	8.08	-55.28
CC1=CC(Cl)=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=C1O	REAL300013276822	0	44	0.0	-66.63	371.18	5.40	-61.23
CC1=CC(C([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC(Cl)=C2)=C(C)S1	REAL300013276823	0	50	0.0	-69.55	424.46	10.59	-58.96
N#CC1=CC=C2CCC([NH2+]CCOCCOCC(=O)[O-])C2=C1	REAL300013276824	0	42	0.0	-78.53	350.73	7.49	-71.04
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Br)N=C1	REAL300013276825	0	39	0.0	-71.07	341.78	5.54	-65.53
CC([NH2+]CCOCCOCC(=O)[O-])C1=NC=CC2=CC=CC=C21	REAL300013276826	0	45	0.0	-61.73	364.92	7.11	-54.62
COCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300013276827	0	44	0.0	-65.65	372.14	6.66	-58.99
COC1=CC=C(OC)C(NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013276828	0	55	0.0	-62.05	437.10	4.63	-57.42
CC(CC(=O)NC1=CC=C(F)C=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276829	0	47	0.0	-75.12	386.05	5.99	-69.13
CC(C)CCOC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276830	0	56	0.0	-65.46	437.30	9.17	-56.29
CC1=CC=C(NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-])C=C1Cl	REAL300013276831	0	50	0.0	-76.10	415.08	7.04	-69.06
COC1=CC=C(NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-])C(OC)=C1	REAL300013276832	0	55	0.0	-70.50	437.95	4.63	-65.87
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013276833	0	43	0.0	-64.76	376.30	8.56	-56.20
CC1=CC=CC(NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013276834	0	50	0.0	-72.14	401.04	6.61	-65.53
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1OCC1=CC=CC=C1	REAL300013276835	0	54	0.0	-62.46	434.68	10.27	-52.19
COC1=CC=C(Cl)C=C1NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276836	0	51	0.0	-61.35	424.35	5.86	-55.49
CC1=CC=CC(NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-])=C1C	REAL300013276837	0	53	0.0	-61.60	415.42	7.37	-54.23
COC1=CC=CC(NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013276838	0	51	0.0	-71.94	409.12	5.22	-66.72
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300013276839	0	54	0.0	-67.95	436.65	10.12	-57.83
COC1=CC=C2C(=C1)CCCC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013276840	0	48	0.0	-64.72	374.34	7.15	-57.57
CCOC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276841	0	47	0.0	-66.59	376.74	7.06	-59.53
COC1=CC=CC=C1CC(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276842	0	47	0.0	-61.27	371.04	7.43	-53.84
CCCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013276843	0	46	0.0	-67.39	382.07	8.69	-58.70
COC1=CC=C(CC(C)[NH2+]CCOCCOCC(=O)[O-])C=C1OC	REAL300013276844	0	51	0.0	-73.55	404.85	6.76	-66.79
CC1=CC=CC=C1NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276845	0	50	0.0	-72.30	397.45	6.77	-65.53
CC1=CC=C(OC(F)F)C(C(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013276846	0	47	0.0	-65.85	384.08	7.24	-58.61
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300013276847	0	51	0.0	-75.03	421.00	4.83	-70.20
CC(CCC1=CC=C(OC(F)F)C=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276848	0	50	0.0	-68.00	407.53	7.93	-60.07
O=C([O-])COCCOCC[NH2+]C1CCSC2=CC=CC=C21	REAL300013276849	0	42	0.0	-65.20	343.53	7.59	-57.61
COC1=CC=C(CCC(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276850	0	50	0.0	-66.89	397.77	7.63	-59.26
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N2CCCCC2)C=C1	REAL300013276851	0	55	0.0	-64.46	418.30	8.11	-56.35
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1Cl	REAL300013276852	0	43	0.0	-65.51	373.42	8.46	-57.05
CC(C)CC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276853	0	52	0.0	-63.26	406.55	9.53	-53.73
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC2=CC=C(OC)C=C2C=C1	REAL300013276854	0	53	0.0	-68.72	419.08	8.93	-59.79
COC1=CC(OC)=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1Cl	REAL300013276855	0	48	0.0	-65.55	398.62	6.14	-59.41
CNS(=O)(=O)C1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276856	0	48	0.0	-74.51	401.99	3.00	-71.51
CCCCCC(CCCCC)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276857	0	57	0.0	-64.55	430.02	9.80	-54.75
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(F)=C(Cl)C=C1Cl	REAL300013276858	0	40	0.0	-67.86	361.07	7.85	-60.01
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Br)C=C1	REAL300013276859	0	43	0.0	-67.14	365.47	8.06	-59.08
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(Br)=C1	REAL300013276860	0	43	0.0	-67.80	364.89	8.04	-59.76
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(I)C=C1	REAL300013276861	0	40	0.0	-66.77	353.17	7.93	-58.84
CC1=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=C(C)S1	REAL300013276862	0	43	0.0	-63.48	355.19	7.30	-56.18
CC1=CC(C)=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1C	REAL300013276863	0	49	0.0	-63.26	378.29	8.60	-54.66
CCCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300013276864	0	48	0.0	-76.18	394.08	9.01	-67.17
COC1=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=CC=C1OC(F)F	REAL300013276865	0	48	0.0	-70.71	393.88	6.31	-64.40
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(N2C=NN=N2)=C1	REAL300013276866	0	45	0.0	-77.66	373.67	7.01	-70.65
CCCCCOC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276867	0	56	0.0	-65.43	441.23	9.43	-56.00
CCCCC(CC)COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276868	0	65	0.0	-64.54	495.85	11.68	-52.86
CCOC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1OCC	REAL300013276869	0	54	0.0	-68.88	427.83	7.88	-61.00
CCCOC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1OCCC	REAL300013276870	0	60	0.0	-68.53	470.83	9.48	-59.05
CCCCCCCOC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276871	0	62	0.0	-66.33	484.23	10.98	-55.35
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300013276872	0	40	0.0	-70.10	338.08	6.96	-63.14
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C=C1F	REAL300013276873	0	40	0.0	-68.99	336.65	7.02	-61.97
CC(C)COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276874	0	53	0.0	-65.32	418.34	8.56	-56.76
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(OC(F)F)=C1	REAL300013276875	0	44	0.0	-67.72	364.64	6.41	-61.31
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OC)C=C1	REAL300013276876	0	47	0.0	-68.99	373.88	6.91	-62.08
CCN1CCN(C2=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C2F)CC1	REAL300013276877	1	60	0.0	-67.22	461.67	6.50	-60.72
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N2CCCCC2)C(F)=C1	REAL300013276878	0	55	0.0	-68.77	428.81	8.43	-60.34
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N2CCOCC2)C(F)=C1	REAL300013276879	0	53	0.0	-69.12	419.41	5.96	-63.16
O=C([O-])COCCOCC[NH2+]C1CCSC2=CC=C(F)C=C21	REAL300013276880	0	42	0.0	-67.00	349.94	7.67	-59.33
CCOC1=CC=CC=C1C(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276881	0	47	0.0	-61.69	374.78	7.22	-54.47
CCCOC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276882	0	50	0.0	-65.59	398.23	7.87	-57.72
CC(C)C1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276883	0	49	0.0	-63.49	385.61	8.76	-54.73
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N2CCCCCC2)C=C1	REAL300013276884	0	58	0.0	-63.97	429.67	8.47	-55.50
CC(C)C1=CC=CC=C1NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276885	0	56	0.0	-71.77	435.71	8.04	-63.73
COC1=CC=C(C(CC2=CC=CC=C2)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276886	0	54	0.0	-71.57	433.41	9.72	-61.85
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C2=C(F)C=CC=C2F)C=C1	REAL300013276887	0	50	0.0	-66.97	418.37	10.58	-56.39
COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1O	REAL300013276888	0	45	0.0	-68.79	365.63	3.96	-64.83
NS(=O)(=O)C1=CC=C2CCCC([NH2+]CCOCCOCC(=O)[O-])C2=C1	REAL300013276889	0	49	0.0	-70.51	399.07	2.81	-67.70
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1O	REAL300013276890	0	47	0.0	-68.89	387.46	5.80	-63.09
CC([NH2+]CCOCCOCC(=O)[O-])C1=CSC(C2=CC=CC=C2F)=N1	REAL300013276891	0	46	0.0	-63.13	396.12	7.71	-55.42
O=C([O-])COCCOCC[NH2+]C(C1=NN=CN1)C1CCCCC1	REAL300013276892	0	49	0.0	-72.46	374.09	7.81	-64.65
O=C([O-])COCCOCC[NH2+]C(CC1CCOC1)C1=CC=C(F)C=C1	REAL300013276893	0	51	0.0	-71.54	405.12	7.50	-64.04
O=C([O-])COCCOCC[NH2+]C(CC1=CC=CC=C1Cl)C1=CC=CS1	REAL300013276894	0	47	0.0	-61.26	409.50	10.04	-51.22
O=C([O-])COCCOCC[NH2+]C(CCCC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300013276895	0	56	0.0	-70.23	453.58	12.23	-58.00
CC1=CC=CC=C1C([NH2+]CCOCCOCC(=O)[O-])C1CCCC1	REAL300013276896	0	53	0.0	-63.54	391.42	9.44	-54.10
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C(=O)N(C)C)C=C1	REAL300013276897	0	50	0.0	-76.76	395.57	6.69	-70.07
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C(=O)OC)C=C1	REAL300013276900	0	49	0.0	-71.48	398.95	8.11	-63.37
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N2CCCOC2=O)C=C1	REAL300013276901	0	52	0.0	-75.60	418.50	7.85	-67.75
COC(=O)CCCC1CCCC([NH2+]CCOCCOCC(=O)[O-])C1	REAL300013276902	0	55	0.0	-69.67	426.23	8.43	-61.24
O=C([O-])COCCOCC[NH2+]C(CC1=CC=CC=C1Cl)C1CC1	REAL300013276903	0	47	0.0	-57.88	379.38	9.65	-48.23
O=C([O-])COCCOCC[NH2+]C1CCC2=C1C=C(Br)S2	REAL300013276904	0	38	0.0	-63.39	342.83	6.94	-56.45
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(C2CC2)=C1	REAL300013276905	0	47	0.0	-64.05	374.59	8.93	-55.12
CS(=O)(=O)CC1CCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013276906	0	49	0.0	-70.89	389.08	3.87	-67.02
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=N1	REAL300013276907	0	50	0.0	-63.40	412.72	8.07	-55.33
O=C([O-])COCCOCC[NH2+]C1CCCCC2=CC=C(Br)C=C21	REAL300013276908	0	47	0.0	-61.91	377.92	9.61	-52.30
O=C([O-])COCCOCC[NH2+]C(CC1=CC=CC=C1Br)C1CC1	REAL300013276909	0	47	0.0	-57.29	382.23	9.80	-47.49
CSCC1CCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013276910	0	47	0.0	-63.23	373.73	7.35	-55.88
CC(C)CCC1CCC([NH2+]CCOCCOCC(=O)[O-])C1	REAL300013276911	0	52	0.0	-62.16	395.00	8.47	-53.69
O=C([O-])COCCOCC[NH2+]C1CCC2=C1C=CC(F)=C2Br	REAL300013276912	0	41	0.0	-69.87	358.18	7.91	-61.96
O=C([O-])COCCOCC[NH2+]C1CCC2=CC=CC=C2CC1	REAL300013276913	0	47	0.0	-64.45	362.26	8.19	-56.26
O=C([O-])COCCOCC[NH2+]C(CC1=CC=CC=C1Cl)C1CCCO1	REAL300013276914	0	51	0.0	-66.36	391.89	8.33	-58.03
O=C([O-])COCCOCC[NH2+]C1CCN(CC2=CC=CC=C2)C2CCCC21	REAL300013276915	1	59	0.0	-65.95	437.20	8.60	-57.35
O=C([O-])COCCOCC[NH2+]C1CCCC2=CC=CC=C2C1	REAL300013276916	0	47	0.0	-66.97	362.50	8.24	-58.73
CC(CC1=CC=CC=C1)N1CCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013276917	1	58	0.0	-64.13	438.63	8.02	-56.11
O=C([O-])COCCOCC[NH2+]C(CC1=CC=CC=C1Cl)C1=CSC=C1	REAL300013276918	0	47	0.0	-65.58	408.00	9.88	-55.70
CC([NH2+]CCOCCOCC(=O)[O-])C1=NC=C(C2=CC=CC=C2)N1C	REAL300013276919	0	50	0.0	-68.23	401.00	8.16	-60.07
CC1CCC([NH2+]CCOCCOCC(=O)[O-])C2=C1C=CS2	REAL300013276920	0	44	0.0	-61.70	356.47	7.43	-54.27
CC1=CC(C(CC2=CC=CC=C2Cl)[NH2+]CCOCCOCC(=O)[O-])=CS1	REAL300013276921	0	50	0.0	-65.31	431.25	10.55	-54.76
CCCOC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C(OCCC)=C1	REAL300013276922	0	60	0.0	-63.59	469.08	9.04	-54.55
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])OC2=CC=CC=C21	REAL300013276923	0	46	0.0	-63.99	375.46	7.81	-56.18
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N(C)C)C=C1	REAL300013276924	0	48	0.0	-63.73	376.89	7.24	-56.49
CC(C)OC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276925	0	50	0.0	-66.56	394.65	7.69	-58.87
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C2OCCCOC2=C1	REAL300013276926	0	49	0.0	-69.69	388.19	6.77	-62.92
CCCCC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276927	0	52	0.0	-63.37	411.28	9.83	-53.54
CCCC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276928	0	49	0.0	-63.40	389.78	9.06	-54.34
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C2CCCC2=C1	REAL300013276929	0	47	0.0	-64.00	370.92	8.75	-55.25
CSC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276930	0	44	0.0	-65.96	365.59	7.85	-58.11
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(F)=CC=C1F	REAL300013276931	0	40	0.0	-64.54	336.66	7.04	-57.50
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C2CCCCC2=C1	REAL300013276932	0	50	0.0	-63.12	388.12	9.32	-53.80
COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1Br	REAL300013276933	0	44	0.0	-67.59	375.30	6.80	-60.79
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(S(C)(=O)=O)C=C1	REAL300013276934	0	46	0.0	-74.63	386.08	4.36	-70.27
COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C12	REAL300013276935	0	50	0.0	-67.97	393.89	8.33	-59.64
COCC1=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=CC=C1OC	REAL300013276936	0	51	0.0	-64.60	407.12	6.06	-58.54
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N2C=NC=N2)C=C1	REAL300013276937	0	46	0.0	-75.68	378.66	9.36	-66.32
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300013276938	0	47	0.0	-65.85	411.83	10.07	-55.78
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300013276939	0	49	0.0	-66.73	423.80	10.27	-56.46
COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1F	REAL300013276940	0	44	0.0	-69.44	361.10	6.20	-63.24
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300013276941	0	53	0.0	-74.14	432.28	11.51	-62.63
CC([NH2+]CCOCCOCC(=O)[O-])C1=C(Cl)SC(Cl)=C1	REAL300013276942	0	37	0.0	-64.83	348.13	7.00	-57.83
CCC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])S1	REAL300013276943	0	43	0.0	-60.71	360.86	7.45	-53.26
COC1=CC=C(C)C=C1C(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276944	0	47	0.0	-61.83	374.34	6.96	-54.87
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N2CCCC2=O)C=C1	REAL300013276945	0	51	0.0	-68.75	403.20	7.95	-60.80
COC1=CC=C(Cl)C=C1C(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276946	0	44	0.0	-62.95	369.65	6.82	-56.13
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C=C1Cl	REAL300013276947	0	40	0.0	-68.27	344.95	7.38	-60.89
O=C([O-])COCCOCC[NH2+]C1CCSC2=C(F)C=CC=C21	REAL300013276948	0	42	0.0	-69.81	349.09	7.65	-62.16
O=C([O-])COCCOCC[NH2+]C1CCSC2=CC=C(Cl)C=C21	REAL300013276949	0	42	0.0	-66.30	360.26	8.12	-58.18
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C(Br)=C1	REAL300013276950	0	40	0.0	-68.63	352.38	7.49	-61.14
COC1=CC(C)=CC=C1C(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276951	0	47	0.0	-61.94	374.32	6.96	-54.98
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(N2CCOCC2)=C1	REAL300013276952	0	53	0.0	-65.86	409.35	5.66	-60.20
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C2OCCC2=C1	REAL300013276953	0	45	0.0	-67.49	361.30	6.68	-60.81
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C2=CC=CS2)C=C1	REAL300013276954	0	47	0.0	-67.28	392.72	9.46	-57.82
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=NN1C1=CC=CC=C1	REAL300013276955	0	50	0.0	-68.10	403.78	8.38	-59.72
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N2C=CC=N2)C=C1	REAL300013276956	0	47	0.0	-73.20	383.73	8.04	-65.16
CCCCCC1=CC=C(C(CC)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276957	0	58	0.0	-60.81	451.74	11.37	-49.44
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C2=CC=C(F)C=C2)S1	REAL300013276958	0	47	0.0	-66.44	401.51	9.63	-56.81
CCCCCCC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276959	0	58	0.0	-63.24	454.28	11.40	-51.84
O=C([O-])COCCOCC[NH2+]C1CCN(CCC2=CC=CC=C2)CC1	REAL300013276960	0	55	0.0	-65.90	424.72	7.49	-58.41
COC1=CC=C2CCCC([NH2+]CCOCCOCC(=O)[O-])C2=C1	REAL300013276961	0	48	0.0	-63.66	374.34	7.15	-56.51
COC1=CC=C2CCC([NH2+]CCOCCOCC(=O)[O-])C2=C1	REAL300013276962	0	45	0.0	-71.74	359.40	6.40	-65.34
COC1=CC=CC2=C1CCC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013276963	0	45	0.0	-62.18	359.34	6.39	-55.79
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C=C1F	REAL300013276964	0	43	0.0	-67.05	354.67	7.65	-59.40
O=C([O-])COCCOCC[NH2+]C1CCC2=CC(Cl)=CC=C21	REAL300013276965	0	41	0.0	-68.52	348.87	7.74	-60.78
O=C([O-])COCCOCC[NH2+]C1CCC2=CC(Br)=CC=C21	REAL300013276966	0	41	0.0	-68.61	353.44	7.84	-60.77
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(OC(F)(F)F)=C1	REAL300013276967	0	44	0.0	-66.83	371.39	6.62	-60.21
O=C([O-])COCCOCC[NH2+]C1CCC2=CC(Br)=CC=C2C1	REAL300013276968	0	44	0.0	-69.41	369.90	8.37	-61.04
CCCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OC)C=C1	REAL300013276969	0	50	0.0	-66.37	394.83	7.47	-58.90
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(F)=CC(F)=C1	REAL300013276970	0	40	0.0	-68.67	338.20	6.98	-61.69
O=C([O-])COCCOCC[NH2+]C1CCN(CCC2=CC=C(F)C=C2)CC1	REAL300013276971	0	55	0.0	-66.96	431.14	7.56	-59.40
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC(F)=CC=C1F	REAL300013276972	0	43	0.0	-64.20	350.78	7.71	-56.49
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(Cl)=C1Cl	REAL300013276973	0	40	0.0	-68.48	353.74	7.76	-60.72
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(F)=C(F)C(F)=C1	REAL300013276974	0	40	0.0	-74.33	344.37	7.03	-67.30
COC1=CC=CC=C1C1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276975	0	54	0.0	-67.20	433.53	9.89	-57.31
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300013276976	0	43	0.0	-69.17	364.14	7.83	-61.34
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300013276977	0	44	0.0	-68.53	371.38	6.63	-61.90
CC1=NC(C)=C(C(C)[NH2+]CCOCCOCC(=O)[O-])S1	REAL300013276978	0	42	0.0	-64.94	352.80	5.17	-59.77
O=C([O-])COCCOCC[NH2+]C1CCC(OC2CCCC2)CC1	REAL300013276979	0	54	0.0	-64.56	407.85	7.78	-56.78
O=C([O-])COCCOCC[NH2+]C1CCCC1CC1=CC=C(Cl)C=C1	REAL300013276980	0	50	0.0	-69.96	407.82	9.77	-60.19
CC(CCCC1=CC=CN=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276981	0	48	0.0	-66.42	384.60	7.34	-59.08
O=C([O-])COCCOCC[NH2+]C1CCC2=CC(F)=C(F)C(F)=C21	REAL300013276982	0	41	0.0	-70.94	348.55	7.51	-63.43
O=C([O-])COCCOCC[NH2+]C1CCCC2=NC(Cl)=CC=C21	REAL300013276983	0	43	0.0	-73.65	357.07	6.46	-67.19
CC(CC1=COC2=CC=CC=C12)[NH2+]CCOCCOCC(=O)[O-]	REAL300013276984	0	46	0.0	-63.79	374.95	7.91	-55.88
O=C([O-])COCCOCC[NH2+]C1COC2=CC(Br)=CC=C2C1	REAL300013276985	0	42	0.0	-72.74	360.60	6.53	-66.21
CC([NH2+]CCOCCOCC(=O)[O-])C1=NC(Br)=CS1	REAL300013276986	1	36	0.0	-61.89	334.60	4.35	-57.54
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(C2=CC=CC=C2)=NN1C	REAL300013276987	0	50	0.0	-72.93	407.12	7.89	-65.04
COC1=CC=C(CC(C)[NH2+]CCOCCOCC(=O)[O-])C=N1	REAL300013276988	0	46	0.0	-73.32	373.19	4.25	-69.07
O=C([O-])COCCOCC[NH2+]C1CCC(C2=CC=CC(Cl)=C2)C1	REAL300013276989	0	47	0.0	-67.66	386.34	9.05	-58.61
COC(=O)C1=CN=C(C(C)[NH2+]CCOCCOCC(=O)[O-])S1	REAL300013276990	1	42	0.0	-67.66	369.72	4.68	-62.98
O=C([O-])COCCOCC[NH2+]C1CCCC(C2=CC=CC(Cl)=C2)C1	REAL300013276991	0	50	0.0	-67.98	397.72	9.79	-58.19
COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C(C)=C1	REAL300013276992	0	47	0.0	-66.73	369.64	6.67	-60.06
CC([NH2+]CCOCCOCC(=O)[O-])C1=CSC(C2=CC=CC=C2)=N1	REAL300013276993	0	46	0.0	-63.07	392.46	7.72	-55.35
O=C([O-])COCCOCC[NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1	REAL300013276994	0	50	0.0	-68.52	397.73	9.78	-58.74
CCC1=CC=C(C(CC)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013276995	0	49	0.0	-63.71	387.06	8.87	-54.84
CC1CCC([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL300013276996	0	47	0.0	-62.48	361.78	8.32	-54.16
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C(Cl)=C1	REAL300013276997	0	40	0.0	-68.79	347.97	7.39	-61.40
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C=C1Br	REAL300013276998	0	40	0.0	-68.25	348.41	7.45	-60.80
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1I	REAL300013276999	0	40	0.0	-64.61	347.28	7.78	-56.83
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300013277000	0	45	0.0	-78.80	371.82	8.09	-70.71
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300013277001	0	44	0.0	-64.45	369.40	6.79	-57.66
COC1=CC(C)=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1OC	REAL300013277002	0	51	0.0	-69.41	398.86	6.57	-62.84
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C2OCCC2=C1	REAL300013277003	0	48	0.0	-67.52	380.09	7.29	-60.23
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C2NC(=O)CCC2=C1	REAL300013277004	0	48	0.0	-72.40	385.19	6.02	-66.38
CC(CC(=O)NC1=CC=CC(F)=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277005	0	47	0.0	-71.93	386.33	5.99	-65.94
CC(CC(=O)NCCC1=CC=CC=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277006	0	53	0.0	-61.00	427.21	6.81	-54.19
CC(CC(=O)N(C)CC1=CC=CC=C1Cl)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277007	0	53	0.0	-58.98	429.43	8.51	-50.47
CC(CC(=O)N(C)CC1=CC=CC(Cl)=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277008	0	53	0.0	-60.22	439.65	8.68	-51.54
CC(CC(=O)NC1=CC=CN=C1Cl)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277009	0	46	0.0	-64.61	389.65	4.73	-59.88
CCC1=CC=CC=C1NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277010	0	53	0.0	-72.22	418.40	7.59	-64.63
CC1=CC=C(NC(=O)CC(C)[NH2+]CCOCCOCC(=O)[O-])C(Cl)=C1	REAL300013277011	0	50	0.0	-68.39	416.01	7.22	-61.17
CC(CC(=O)N(C)C1=CC=CC=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277012	0	50	0.0	-72.19	401.80	7.66	-64.53
CC(CC(=O)N1CCCCCC1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277013	0	53	0.0	-68.75	397.19	7.15	-61.60
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300013277014	0	54	0.0	-65.11	436.65	10.10	-55.01
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OCC2=CC=C(F)C=C2)C=C1	REAL300013277015	0	54	0.0	-68.99	443.06	10.17	-58.82
COCCOC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277016	0	51	0.0	-67.25	410.36	6.34	-60.91
CCCCOC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1OC	REAL300013277017	0	57	0.0	-68.70	448.97	8.54	-60.16
COCCOC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1OC	REAL300013277018	0	55	0.0	-71.18	439.60	6.24	-64.94
O=C([O-])COCCOCC[NH2+]C1CCN(C(=O)C2=CC=CC=C2Cl)CC1	REAL300013277019	0	51	0.0	-77.02	413.60	7.64	-69.38
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1OCC(=O)N(C)C	REAL300013277020	0	57	0.0	-68.81	445.50	8.46	-60.35
O=C([O-])COCCOCC[NH2+]C1CCN(C(=O)C2=COC=C2)CC1	REAL300013277021	0	48	0.0	-73.70	381.90	5.26	-68.44
O=C([O-])COCCOCC[NH2+]C1CCN(CC(F)(F)F)CC1	REAL300013277022	0	45	0.0	-65.45	362.15	4.41	-61.04
O=C([O-])COCCOCC[NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300013277023	0	52	0.0	-67.98	419.28	7.13	-60.85
O=C([O-])COCCOCC[NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1	REAL300013277024	0	52	0.0	-63.08	418.94	7.23	-55.85
O=C([O-])COCCOCC[NH2+]C1CCN(CC2=CC=CC=N2)CC1	REAL300013277025	0	51	0.0	-64.89	398.90	4.95	-59.94
O=C([O-])COCCOCC[NH2+]C1CCN(C2=CC=CC=C2)CC1	REAL300013277026	0	49	0.0	-65.71	378.69	6.53	-59.18
O=C([O-])COCCOCC[NH2+]C1CCN(C2=CC=CC=N2)CC1	REAL300013277027	0	48	0.0	-66.84	376.36	5.94	-60.90
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C(F)=C1	REAL300013277028	0	51	0.0	-71.45	420.35	9.75	-61.70
CC(C)NC(=O)NC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277029	0	55	0.0	-73.28	438.74	6.00	-67.28
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N2C=NN=N2)C=C1	REAL300013277030	0	45	0.0	-80.08	373.65	7.02	-73.06
CNS(=O)(=O)C1=CC=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013277031	0	48	0.0	-71.29	402.00	3.00	-68.29
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300013277032	0	51	0.0	-70.77	420.15	4.86	-65.91
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1OC(F)F	REAL300013277033	0	47	0.0	-66.49	376.96	7.23	-59.26
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(SC2CCCC2)C=C1	REAL300013277034	0	54	0.0	-66.75	427.38	10.51	-56.24
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C2=CC=CC=C2F)S1	REAL300013277035	0	47	0.0	-63.34	404.28	9.72	-53.62
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(S(=O)(=O)C2CCCC2)C=C1	REAL300013277036	0	56	0.0	-74.10	451.02	7.24	-66.86
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C2=CC=CC=C2Cl)S1	REAL300013277037	0	47	0.0	-62.57	411.88	10.08	-52.49
CCN(CC)C(=O)NC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277038	0	58	0.0	-73.55	457.49	8.55	-65.00
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(NC(=O)NC2CC2)C=C1	REAL300013277039	0	53	0.0	-72.22	427.95	6.11	-66.11
CC([NH2+]CCOCCOCC(=O)[O-])C1=C(Br)C=CS1	REAL300013277040	0	37	0.0	-59.87	336.65	6.37	-53.50
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])SC(C(C)(C)C)=N1	REAL300013277041	0	51	0.0	-64.29	412.92	6.99	-57.30
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OCC2=NC=CN2C)C=C1	REAL300013277042	0	54	0.0	-71.52	436.32	8.50	-63.02
O=C([O-])COCCOCC[NH2+]C1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300013277043	0	52	0.0	-62.94	401.85	6.55	-56.39
C=C(Cl)COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277044	0	48	0.0	-67.28	406.32	8.18	-59.10
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C2OCCOC2=C1	REAL300013277045	0	49	0.0	-69.09	388.69	6.59	-62.50
CC(C)(C)CC(=O)N1CCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013277046	0	56	0.0	-71.05	419.07	7.09	-63.96
CC(CCC1=CC=C(F)C=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277047	0	46	0.0	-67.52	374.68	8.41	-59.11
O=C([O-])COCCOCC[NH2+]C1CCC2=C(Cl)C=CC=C21	REAL300013277048	0	41	0.0	-65.59	348.04	7.77	-57.82
CCC(=O)N1CCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013277049	0	47	0.0	-71.12	365.83	5.21	-65.91
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300013277050	0	54	0.0	-66.07	433.62	10.45	-55.62
CC([NH3+])C(CC1=CC=CC=C1)NCCOCCOCC(=O)[O-]	REAL300013277052	0	48	0.0	-81.85	376.46	4.54	-77.31
CC(N)C(CC1=CC=CC=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277052	1	48	0.0	-62.70	369.27	5.03	-57.67
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])N=NN1C1=CC=CC=C1	REAL300013277053	1	49	0.0	-64.66	398.15	6.88	-57.78
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])N=NN1C1=CC=C(F)C=C1	REAL300013277054	1	49	0.0	-70.13	405.91	6.96	-63.17
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])N=NN1C1=CC=C(C)C=C1	REAL300013277055	1	52	0.0	-70.29	420.07	7.58	-62.71
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])N=NN1C1=CC=CC(Cl)=C1	REAL300013277056	1	49	0.0	-66.31	414.83	7.38	-58.93
CC1CC([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC(Br)=C21	REAL300013277057	0	44	0.0	-63.21	364.79	8.10	-55.11
O=C([O-])COCCOCC[NH2+]C1CCN(C2=CC=C(F)C=C2)CC1	REAL300013277058	0	49	0.0	-67.81	385.11	6.60	-61.21
CCCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300013277059	0	57	0.0	-67.16	454.96	11.20	-55.96
CC(CCC1=CC=CC(F)=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277060	0	46	0.0	-67.60	374.68	8.40	-59.20
CC1=CC=CC(CCC(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013277061	0	49	0.0	-64.43	389.67	9.01	-55.42
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277062	0	49	0.0	-68.07	407.33	9.35	-58.72
CC1=CC=C(CCC(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277063	0	49	0.0	-66.00	389.67	9.02	-56.98
CC1(C)CC([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C21	REAL300013277064	0	47	0.0	-69.75	364.82	8.25	-61.50
O=C([O-])COCCOCC[NH2+]C1CCN(CC2=C(F)C=CC=C2Cl)CC1	REAL300013277065	0	52	0.0	-63.61	418.02	7.01	-56.60
CC(C1=CC=CC=C1)N1CCC([NH2+]CCOCCOCC(=O)[O-])C1	REAL300013277066	0	52	0.0	-64.16	405.97	6.78	-57.38
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277067	0	60	0.0	-67.04	471.96	10.61	-56.43
CC=CCOC1=CC=C(CCC(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277068	0	57	0.0	-66.60	454.24	10.02	-56.58
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])N=NN1C1=CC=C(Cl)C=C1	REAL300013277069	1	49	0.0	-69.76	416.23	7.41	-62.35
O=C([O-])COCCOCC[NH2+]C1CCSC2=CC=C(Br)C=C21	REAL300013277070	0	42	0.0	-66.23	364.83	8.23	-58.00
O=C([O-])COCCOCC[NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1	REAL300013277071	0	49	0.0	-66.37	395.61	6.91	-59.46
CC(C)C[NH+]1CCC(NCCOCCOCC(=O)[O-])CC1	REAL300013277073	1	51	0.0	-63.19	384.31	6.36	-56.83
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N2CCOC2=O)C=C1	REAL300013277074	0	49	0.0	-72.08	394.08	6.90	-65.18
CCOC1=CC=C(C(CC)[NH2+]CCOCCOCC(=O)[O-])C=C1OCC	REAL300013277075	0	57	0.0	-66.93	446.79	8.62	-58.31
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OCC(F)(F)F)C=C1	REAL300013277076	0	47	0.0	-69.95	396.31	7.52	-62.43
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(N2CCOC2=O)=C1	REAL300013277077	0	49	0.0	-73.55	394.15	6.88	-66.67
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=NN1C1=CC=C(F)C=C1	REAL300013277078	0	50	0.0	-68.62	410.18	8.43	-60.19
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C2COCC2=C1	REAL300013277079	0	45	0.0	-67.73	361.36	6.13	-61.60
CCC(CCC1=CC=C(Br)C=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277080	0	49	0.0	-69.50	403.31	9.57	-59.93
O=C([O-])COCCOCC[NH2+]C1CCN(CC(F)F)CC1	REAL300013277081	0	45	0.0	-64.39	355.58	4.25	-60.14
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(C2=CC=CC=C2)=C1	REAL300013277082	0	50	0.0	-65.71	399.59	10.24	-55.47
COC1=CC=CC(N2CCC([NH2+]CCOCCOCC(=O)[O-])CC2)=C1	REAL300013277083	0	53	0.0	-67.52	408.17	5.81	-61.71
CCOC1=CC=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=C1	REAL300013277084	0	47	0.0	-64.13	376.75	7.05	-57.08
O=C([O-])COCCOCC[NH2+]C1CCN(CC2=CC=NC=C2)CC1	REAL300013277085	0	51	0.0	-68.16	398.35	5.02	-63.14
CC(C)(C)[NH+]1CCC(NCCOCCOCC(=O)[O-])CC1	REAL300013277086	1	51	0.0	-60.47	374.65	5.67	-54.80
COC1=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=CC=C1SC(F)F	REAL300013277088	0	48	0.0	-69.87	403.90	7.43	-62.44
CC([NH2+]CCOCCOCC(=O)[O-])C1=CN(C2=CC=CC=C2)N=C1	REAL300013277089	0	47	0.0	-68.66	385.90	7.97	-60.69
CCCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013277090	0	46	0.0	-65.39	397.77	9.33	-56.06
COC1=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=CC=C1SC	REAL300013277091	0	48	0.0	-68.80	394.28	7.18	-61.62
O=C([O-])COCCOCC[NH2+]C1CCCC2=C1SC(C1=CC=CC=C1)=N2	REAL300013277092	0	50	0.0	-65.81	413.00	8.78	-57.03
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(NS(C)(=O)=O)C=C1	REAL300013277093	0	48	0.0	-77.12	402.47	3.45	-73.67
COC1=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=CC=C1S(C)(=O)=O	REAL300013277094	0	50	0.0	-78.63	412.73	4.18	-74.45
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])SC(C2=CC=CN=C2)=N1	REAL300013277095	0	48	0.0	-68.06	405.91	6.47	-61.59
O=C([O-])COCCOCC[NH2+]C1CCN(CCN2CCOCC2)CC1	REAL300013277096	0	58	0.0	-64.82	432.75	2.33	-62.49
COC1=CC=C(N2CCC([NH2+]CCOCCOCC(=O)[O-])CC2)C=C1	REAL300013277097	0	53	0.0	-67.39	408.20	5.82	-61.57
O=C([O-])COCCOCC[NH2+]C1CCC2=C(F)C=C(Br)C=C21	REAL300013277098	0	41	0.0	-68.03	359.60	7.93	-60.10
COCCC(CC1=CC=CC(F)=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277099	0	50	0.0	-67.68	404.15	7.28	-60.40
CC1=CC=CC=C1COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277100	0	57	0.0	-68.37	452.82	10.80	-57.57
CC1=CC=CC(COC2=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C2)=C1	REAL300013277101	0	57	0.0	-68.03	458.06	10.78	-57.25
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])SC(C2=CC=C(F)C=C2)=N1	REAL300013277102	0	49	0.0	-66.78	417.30	8.31	-58.47
O=C([O-])COCCOCC[NH2+]C1CCCC2=C1SC(C1=CC=C(F)C=C1)=N2	REAL300013277103	0	50	0.0	-67.20	419.64	8.82	-58.38
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])SC(C2=CC=C(C)C=C2)=N1	REAL300013277104	0	52	0.0	-65.96	432.29	8.93	-57.03
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])SC(C2=CC=C(Cl)C=C2)=N1	REAL300013277105	0	49	0.0	-66.44	427.62	8.77	-57.67
CC1=CC=C(C2=NC3=C(S2)C([NH2+]CCOCCOCC(=O)[O-])CCC3)C=C1	REAL300013277106	0	53	0.0	-65.69	434.40	9.45	-56.24
CCCC([NH2+]CCOCCOCC(=O)[O-])C1CCCCC1	REAL300013277107	0	52	0.0	-64.25	380.63	8.29	-55.96
COC1=CC=C(C2=NC(C)=C(C(C)[NH2+]CCOCCOCC(=O)[O-])S2)C=C1	REAL300013277108	0	53	0.0	-67.07	440.33	7.56	-59.51
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])SC(C2=CC=CC=C2)=N1	REAL300013277109	0	49	0.0	-65.91	411.32	8.24	-57.67
CC1CCCCC1[NH+]1CCC(NCCOCCOCC(=O)[O-])CC1	REAL300013277110	1	58	0.0	-64.83	415.18	7.70	-57.13
CC1CCCC([NH+]2CCC(NCCOCCOCC(=O)[O-])CC2)C1	REAL300013277111	1	58	0.0	-65.35	417.53	7.68	-57.67
CCOC(=O)C1NCCC1[NH2+]CCOCCOCC(=O)[O-]	REAL300013277114	0	45	0.0	-61.39	359.89	3.32	-58.07
CCC([NH2+]CCOCCOCC(=O)[O-])[C@H]1CCCN1C(=O)OC(C)(C)C	REAL300013277116	0	60	0.0	-59.76	443.75	7.73	-52.03
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])SC(C2=CC=CC=C2F)=N1	REAL300013277117	0	49	0.0	-68.21	415.84	8.48	-59.73
CC(C)SC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277118	0	50	0.0	-66.77	403.37	9.22	-57.55
O=C([O-])COCCOCC[NH2+]C1CCC2=C1C=CC(Cl)=C2Cl	REAL300013277119	0	41	0.0	-68.86	363.24	8.23	-60.63
CCC(CC1=CC=CS1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277120	0	43	0.0	-63.49	350.70	7.28	-56.21
CC1=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=CC(C)=C1F	REAL300013277121	0	46	0.0	-68.15	372.41	8.17	-59.98
CC1=NC(C2=CC(C(C)[NH2+]CCOCCOCC(=O)[O-])=CS2)=CS1	REAL300013277122	0	46	0.0	-65.67	403.66	7.34	-58.33
COC1=CC=C2OC(C(C)[NH2+]CCOCCOCC(=O)[O-])=C(C)C2=C1	REAL300013277123	0	50	0.0	-66.61	405.42	7.12	-59.49
CCS(=O)(=O)NC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277124	0	51	0.0	-77.05	424.11	4.33	-72.72
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(NS(C)(=O)=O)=C1	REAL300013277125	0	48	0.0	-76.88	402.68	3.43	-73.45
O=C([O-])COCCOCC[NH2+]C1CCN(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300013277126	0	51	0.0	-74.27	406.87	7.20	-67.07
CC([NH2+]CCOCCOCC(=O)[O-])C1=NC(C2=CC=CC=C2)=CS1	REAL300013277127	0	46	0.0	-64.40	390.48	7.51	-56.89
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])SC(CC2=CC=CC=C2)=N1	REAL300013277128	0	52	0.0	-65.96	434.60	8.95	-57.01
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277129	0	46	0.0	-62.91	388.89	9.47	-53.44
CC1=NC2=C(S1)C([NH2+]CCOCCOCC(=O)[O-])CCC2	REAL300013277130	0	43	0.0	-64.70	354.70	5.71	-58.99
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=NN1C1=CC=CC(Cl)=C1	REAL300013277131	0	50	0.0	-68.46	418.06	8.83	-59.63
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CN=C1Cl	REAL300013277132	0	39	0.0	-67.28	332.48	5.44	-61.84
CCC(CC1=CC=C(C)C=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277133	0	49	0.0	-64.89	378.95	8.76	-56.13
CC1(C)CC2=C(C=CO2)C([NH2+]CCOCCOCC(=O)[O-])C1	REAL300013277134	0	47	0.0	-64.02	364.64	6.80	-57.22
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)S1	REAL300013277135	0	40	0.0	-69.59	353.90	7.30	-62.29
C#CCOC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277136	0	46	0.0	-67.68	382.52	7.62	-60.06
CS(=O)(=O)N1CCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013277137	0	45	0.0	-77.16	365.04	2.04	-75.12
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=NC(Cl)=C1	REAL300013277138	0	39	0.0	-70.35	337.35	5.47	-64.88
O=C([O-])COCCOCC[NH2+]C1CCCC2=C1SC(C1=CC=CC=C1F)=N2	REAL300013277139	0	50	0.0	-70.44	417.80	8.97	-61.47
O=C([O-])COCCOCC[NH2+]C1CCSC2=CC(F)=C(F)C=C21	REAL300013277140	0	42	0.0	-72.96	356.52	7.69	-65.27
O=C([O-])COCCOCC[NH2+]C1CCSC2=C(Cl)C=CC=C21	REAL300013277141	0	42	0.0	-68.21	358.19	8.05	-60.16
CC(CCC1CCCCC1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277142	0	52	0.0	-62.86	389.04	8.52	-54.34
CC(CCC1=CC=CC=C1F)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277143	0	46	0.0	-61.82	373.83	8.38	-53.44
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300013277144	0	45	0.0	-77.38	363.04	7.86	-69.52
O=C([O-])COCCOCC[NH2+]C1CC2=CC=C(Cl)C=C2C1	REAL300013277145	0	41	0.0	-70.67	349.82	7.79	-62.88
CCC(CSC1=CC=C(Cl)C=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277146	0	47	0.0	-66.68	401.26	9.15	-57.53
CC1CC([NH2+]CCOCCOCC(=O)[O-])CCN1CC1=CC=CC=C1	REAL300013277147	0	55	0.0	-66.96	420.49	7.41	-59.55
CC1CN(CC2=CC=CC=N2)CCC1[NH2+]CCOCCOCC(=O)[O-]	REAL300013277148	0	54	0.0	-64.99	415.42	5.77	-59.22
O=C([O-])COCCOCC[NH2+]C1CCC(O)(C(F)(F)F)CC1	REAL300013277149	0	44	0.0	-70.60	349.06	3.60	-67.00
CCOCCCN1CCC([NH2+]CCOCCOCC(=O)[O-])C(C)C1	REAL300013277150	1	58	0.0	-63.52	435.75	5.00	-58.52
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(SC(F)F)C=C1	REAL300013277151	0	44	0.0	-66.71	375.20	8.10	-58.61
CCOC1=CC=C(Cl)C=C1C(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277152	0	47	0.0	-62.52	391.51	7.74	-54.78
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(S(=O)(=O)C(F)F)C=C1	REAL300013277153	0	46	0.0	-73.39	399.27	4.76	-68.63
CCC1=NC(C)=C(C(C)[NH2+]CCOCCOCC(=O)[O-])S1	REAL300013277154	0	45	0.0	-65.03	374.69	5.93	-59.10
COCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013277155	0	47	0.0	-67.31	394.17	7.15	-60.16
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC(Cl)=CC=C1OC	REAL300013277156	0	47	0.0	-62.78	384.42	7.44	-55.34
CC([NH2+]CCOCCOCC(=O)[O-])C1CN(CC2=CC=CC=C2)CCO1	REAL300013277157	0	56	0.0	-65.87	431.83	5.92	-59.95
O=C([O-])COCCOCC[NH2+]C1CCC2=CC=C(OC(F)(F)F)C=C21	REAL300013277158	0	45	0.0	-75.27	375.89	6.89	-68.38
C[C@H]1CC([NH2+]CCOCCOCC(=O)[O-])C2=C(SC=C2)S1	REAL300013277159	0	42	0.0	-68.20	351.75	7.09	-61.11
CC([NH2+]CCOCCOCC(=O)[O-])C1=CN=C2C=CSC2=C1	REAL300013277160	0	42	0.0	-69.36	357.33	6.29	-63.07
CCCC(CCC1=CC=CC=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277161	0	52	0.0	-68.42	403.51	9.71	-58.71
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(N2CCCS2(=O)=O)=C1	REAL300013277162	0	52	0.0	-69.51	422.89	5.43	-64.08
CSC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1F	REAL300013277163	0	44	0.0	-69.33	371.35	7.89	-61.44
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300013277164	0	46	0.0	-76.26	390.47	4.38	-71.88
CN(C)C1=CC=C(N2CCC([NH2+]CCOCCOCC(=O)[O-])CC2)C=C1	REAL300013277165	0	57	0.0	-66.08	431.26	6.94	-59.14
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CCOCCOCC(=O)[O-]	REAL300013277166	0	48	0.0	-63.89	387.28	8.75	-55.14
CC1=C(C)C=C2OC(C(C)[NH2+]CCOCCOCC(=O)[O-])=CC2=C1	REAL300013277167	0	49	0.0	-64.53	395.17	8.49	-56.04
CC1CC([NH2+]CCOCCOCC(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300013277168	0	53	0.0	-70.39	390.81	10.17	-60.22
CC1CN(CC2=CC=CC=C2)CC1[NH2+]CCOCCOCC(=O)[O-]	REAL300013277169	0	52	0.0	-64.68	403.99	6.88	-57.80
O=C([O-])COCCOCC[NH2+]C1CCC2(CCOCC2)CC1	REAL300013277170	0	51	0.0	-65.79	370.31	5.73	-60.06
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N(C)C)C=C1	REAL300013277171	0	51	0.0	-61.04	395.85	7.98	-53.06
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(C2=CC=NC=C2)=C1	REAL300013277172	0	49	0.0	-68.84	394.78	8.49	-60.35
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=NN1C1=CC(C)=CC=C1C	REAL300013277173	0	56	0.0	-68.33	442.66	9.96	-58.37
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(SCC(F)F)C=C1	REAL300013277174	0	47	0.0	-69.48	399.41	8.97	-60.51
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(SCC(F)(F)F)C=C1	REAL300013277175	0	47	0.0	-69.55	405.97	9.12	-60.43
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C=C1N(C)C	REAL300013277176	0	48	0.0	-66.62	383.68	6.86	-59.76
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C2=CC=NC=C2)C=C1	REAL300013277177	0	49	0.0	-69.40	394.78	8.49	-60.91
CC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277178	0	46	0.0	-73.08	384.83	8.57	-64.51
CC([NH2+]CCOCCOCC(=O)[O-])C(C)OC1=CC=C(Cl)C=C1Cl	REAL300013277179	0	47	0.0	-68.68	404.55	8.09	-60.59
O=C([O-])COCCOCC[NH2+]C1CCCC2=C1SC1=CC=CC=C12	REAL300013277180	0	47	0.0	-63.96	384.70	9.32	-54.64
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(Cl)=CC=C1OC(F)F	REAL300013277181	0	44	0.0	-66.71	379.41	7.09	-59.62
CCC1=NC2=C(S1)C([NH2+]CCOCCOCC(=O)[O-])CCC2	REAL300013277182	0	46	0.0	-64.60	376.19	6.46	-58.14
COC1=CC(F)=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1OC	REAL300013277183	0	48	0.0	-69.68	388.97	6.17	-63.51
CC([NH2+]CCOCCOCC(=O)[O-])C(C)C1=NC2=CC=CC=C2S1	REAL300013277184	0	48	0.0	-68.14	396.90	7.43	-60.71
CC1=NC=CN1C1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277185	0	50	0.0	-73.50	405.19	9.31	-64.19
CC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])SC(C(C)C)=N1	REAL300013277186	0	48	0.0	-64.31	395.48	6.53	-57.78
CC([NH2+]CCOCCOCC(=O)[O-])C1=NC2=CC=CC=C2C=C1	REAL300013277187	0	45	0.0	-64.65	368.63	7.33	-57.32
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C=C1OC(F)F	REAL300013277188	0	44	0.0	-70.27	369.06	6.64	-63.63
CC1=CSC(N2CCC([NH2+]CCOCCOCC(=O)[O-])CC2)=N1	REAL300013277189	0	48	0.0	-73.18	388.92	5.25	-67.93
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C2=CC=CC=C2)O1	REAL300013277190	0	47	0.0	-63.90	388.64	8.61	-55.29
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300013277191	0	51	0.0	-73.26	408.69	6.34	-66.92
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1Br	REAL300013277192	0	43	0.0	-63.67	356.13	8.06	-55.61
CC(CC1=CC=C(Br)C(F)=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277193	0	43	0.0	-72.77	373.11	8.22	-64.55
CCSC1=CC=CC=C1C(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277194	0	47	0.0	-61.37	381.74	8.61	-52.76
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(Br)=CC=C1F	REAL300013277195	0	40	0.0	-63.73	351.55	7.60	-56.13
CCN(C)C1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277196	0	51	0.0	-63.31	398.44	8.19	-55.12
CC([NH2+]CCOCCOCC(=O)[O-])C1=CN(CC2=CC=CC=C2)N=C1	REAL300013277197	0	50	0.0	-66.52	411.29	8.41	-58.11
COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1CN1C=CC=N1	REAL300013277198	0	54	0.0	-69.74	437.61	7.82	-61.92
COC1=CC=C(C(C)C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277199	0	50	0.0	-68.62	391.43	7.12	-61.50
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(N2CCOCC2)C=C1Cl	REAL300013277200	0	53	0.0	-67.19	422.50	6.13	-61.06
O=C([O-])COCCOCC[NH2+]C1CCCC2=C(Cl)SC(Cl)=C21	REAL300013277201	0	41	0.0	-60.85	364.87	8.07	-52.78
CC1CC([NH2+]CCOCCOCC(=O)[O-])CN1CC1=CC=CC=C1	REAL300013277202	0	52	0.0	-66.30	408.46	6.70	-59.60
O=C([O-])COCCOCC[NH2+]C1CCCCC2=CC=CC=C21	REAL300013277203	0	47	0.0	-61.30	356.63	9.00	-52.30
O=C([O-])COCCOCC[NH2+]C1CCCCC1C1CCCCC1	REAL300013277204	0	56	0.0	-63.03	397.72	9.43	-53.60
O=C([O-])COCCOCC[NH2+]C(CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300013277205	0	53	0.0	-71.47	423.56	11.12	-60.35
CC(C)CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL300013277206	0	49	0.0	-63.69	381.76	8.70	-54.99
O=C([O-])COCCOCC[NH2+]C(CC1=CC=CC=C1)C1=CC=CC=C1	REAL300013277207	0	50	0.0	-65.03	403.48	10.59	-54.44
CCCCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL300013277208	0	49	0.0	-67.77	387.23	9.13	-58.64
CC([NH2+]CCOCCOCC(=O)[O-])C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300013277209	0	53	0.0	-66.48	415.95	10.54	-55.94
CC(C)C1CCC(C)CC1[NH2+]CCOCCOCC(=O)[O-]	REAL300013277210	0	52	0.0	-59.66	376.93	8.16	-51.50
CCCCCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL300013277211	0	52	0.0	-61.78	408.73	9.92	-51.86
CCCCCCCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL300013277212	0	58	0.0	-61.80	451.73	11.48	-50.32
O=C([O-])COCCOCC[NH2+]C(CCCC1=CC=CC=C1)C1=CC=CC=C1	REAL300013277213	0	56	0.0	-69.57	447.14	12.15	-57.42
O=C([O-])COCCOCC[NH2+]C1CCCCC1C1=CC=CC=C1	REAL300013277214	0	50	0.0	-59.95	385.46	9.01	-50.94
O=C([O-])COCCOCC[NH2+]C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300013277215	0	50	0.0	-69.49	420.24	11.11	-58.38
O=C([O-])COCCOCC[NH2+]C1CCCOC2=CC(Br)=CC=C21	REAL300013277216	0	45	0.0	-58.85	372.16	7.81	-51.04
O=C([O-])COCCOCC[NH2+]C1CCCOC2=CC=C(F)C=C21	REAL300013277217	0	45	0.0	-71.28	357.28	7.24	-64.04
O=C([O-])COCCOCC[NH2+]C(CCC1=CC=CC=C1)C1=CC=CC=C1	REAL300013277218	0	53	0.0	-72.80	425.64	11.37	-61.43
CCCCCCC1CCCC1[NH2+]CCOCCOCC(=O)[O-]	REAL300013277219	0	55	0.0	-61.93	419.76	9.48	-52.45
CC(C)C(CCC1=CC=CC=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277220	0	52	0.0	-63.71	400.29	9.50	-54.21
CC(C)CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CS1	REAL300013277221	0	46	0.0	-66.97	375.52	7.77	-59.20
CC(C)CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013277222	0	52	0.0	-68.03	421.32	10.00	-58.03
CC(C)CCCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL300013277223	0	55	0.0	-62.04	426.30	10.42	-51.62
O=C([O-])COCCOCC[NH2+]C1CCCOC2=C1C=CC(Cl)=C2Cl	REAL300013277224	0	45	0.0	-80.40	382.09	8.20	-72.20
O=C([O-])COCCOCC[NH2+]C(CC1=CC=CC(F)=C1)C1=CC=CC(F)=C1	REAL300013277225	0	50	0.0	-72.01	416.35	10.72	-61.29
O=C([O-])COCCOCC[NH2+]C1CCCOC2=C(Br)C=CC=C21	REAL300013277226	0	45	0.0	-58.38	371.27	7.87	-50.51
COC1=CC=C(C(CC2=CC=C(F)C=C2)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277227	0	54	0.0	-76.25	438.83	9.74	-66.51
CCCC(CC1=CC=CC=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277228	0	49	0.0	-65.15	379.17	8.85	-56.30
CC(C)CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013277229	0	52	0.0	-67.85	420.47	9.71	-58.14
CCCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013277230	0	49	0.0	-70.35	404.39	9.19	-61.16
O=C([O-])COCCOCC[NH2+]C1CCCOC2=CC=CC=C21	REAL300013277231	0	45	0.0	-56.01	350.86	7.19	-48.82
O=C([O-])COCCOCC[NH2+]C(CC1=CC=CC=C1)C1CCCCC1	REAL300013277232	0	56	0.0	-64.34	415.45	10.40	-53.94
CC(C)CCC1CCCC1[NH2+]CCOCCOCC(=O)[O-]	REAL300013277233	0	52	0.0	-62.07	394.33	8.43	-53.64
O=C([O-])COCCOCC[NH2+]C(CC1=CC=CC=C1)C1CC1	REAL300013277234	0	47	0.0	-60.74	377.27	9.01	-51.73
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277235	0	52	0.0	-63.99	419.49	9.98	-54.01
CC([NH2+]CCOCCOCC(=O)[O-])C(C)(C)C1=CC=CC=C1	REAL300013277236	0	49	0.0	-62.81	368.32	8.33	-54.48
COC1=CC=C(C(CCC(C)C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277237	0	56	0.0	-66.86	434.08	8.77	-58.09
O=C([O-])COCCOCC[NH2+]C(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300013277238	0	56	0.0	-69.53	445.72	11.90	-57.63
CC(C)CC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277239	0	52	0.0	-63.61	432.06	10.32	-53.29
COC1=CC=C(C2CCCCC2[NH2+]CCOCCOCC(=O)[O-])C=C1F	REAL300013277240	0	54	0.0	-67.03	421.17	8.38	-58.65
O=C([O-])COCCOCC[NH2+]C(CC1=CC=C(F)C=C1)C1=CC=CC=C1Cl	REAL300013277241	0	50	0.0	-71.97	420.32	10.94	-61.03
O=C([O-])COCCOCC[NH2+]C1CCCC1C1=CC=CC=C1	REAL300013277242	0	47	0.0	-59.49	361.68	8.88	-50.61
O=C([O-])COCCOCC[NH2+]C1CCCOC2=C(Cl)C=CC=C21	REAL300013277243	0	45	0.0	-58.37	366.88	7.74	-50.63
O=C([O-])COCCOCC[NH2+]C1CCCCC2=CC=C(Cl)C=C21	REAL300013277244	0	47	0.0	-62.03	373.36	9.51	-52.52
CC1CCC2=C(F)C=CC=C2C1[NH2+]CCOCCOCC(=O)[O-]	REAL300013277245	0	47	0.0	-69.34	364.10	8.24	-61.10
O=C([O-])COCCOCC[NH2+]C(CCC1=CC=CC=C1Cl)C1=CC=CC=C1	REAL300013277246	0	53	0.0	-71.20	438.30	11.75	-59.45
COC1=CC=C(Cl)C=C1C(CC(C)C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277247	0	53	0.0	-61.23	425.57	8.69	-52.54
O=C([O-])COCCOCC[NH2+]C1CCCC1CC1=CC=CC=C1	REAL300013277248	0	50	0.0	-67.11	386.37	9.65	-57.46
CC1=C(C(CC2=CC=CC=C2)[NH2+]CCOCCOCC(=O)[O-])SC=C1	REAL300013277249	0	50	0.0	-60.60	414.57	10.25	-50.35
O=C([O-])COCCOCC[NH2+]C(CC1CC1)C1=CC=CC=C1	REAL300013277250	0	47	0.0	-64.85	377.36	9.01	-55.84
CC1=CC=CC(CC([NH2+]CCOCCOCC(=O)[O-])C2CC2)=C1	REAL300013277251	0	50	0.0	-60.72	398.65	9.68	-51.04
CC1=CC=C(CC([NH2+]CCOCCOCC(=O)[O-])C2=CC=C(C)C=C2)C=C1	REAL300013277252	0	56	0.0	-65.06	446.27	11.94	-53.12
O=C([O-])COCCOCC[NH2+]C1CCCC1C1=CC=C(F)C=C1	REAL300013277253	0	47	0.0	-63.40	370.29	8.95	-54.45
CC(C)CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013277254	0	49	0.0	-71.76	399.55	9.42	-62.34
O=C([O-])COCCOCC[NH2+]C1CCCC1C1=CC=C(Cl)C=C1	REAL300013277255	0	47	0.0	-62.50	380.62	9.40	-53.10
CC1=CC=C(CC([NH2+]CCOCCOCC(=O)[O-])C(C)C)C=C1	REAL300013277256	0	52	0.0	-64.67	399.24	9.38	-55.29
CC1=CC=C(CC([NH2+]CCOCCOCC(=O)[O-])C2CC2)C=C1	REAL300013277257	0	50	0.0	-60.75	398.65	9.69	-51.06
CC1=CC=C(C2CCCC2[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277258	0	50	0.0	-59.94	385.30	9.56	-50.38
CC(C)C(CC1=CC=C(F)C=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277259	0	49	0.0	-64.57	384.30	8.79	-55.78
CC1=CC=C(C(CC2=CC=CC=C2)[NH2+]CCOCCOCC(=O)[O-])C=C1C	REAL300013277260	0	56	0.0	-67.61	442.37	11.59	-56.02
CC1=CC(C)=C2OCCCC([NH2+]CCOCCOCC(=O)[O-])C2=C1	REAL300013277261	0	51	0.0	-70.91	392.31	8.58	-62.33
O=C([O-])COCCOCC[NH2+]C1CCCCC1C1=CC=C(C(F)(F)F)C=C1	REAL300013277262	0	53	0.0	-65.02	424.20	10.01	-55.01
O=C([O-])COCCOCC[NH2+]C(CC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300013277263	0	49	0.0	-73.51	388.80	9.08	-64.43
O=C([O-])COCCOCC[NH2+]C(CCC1=CC=CC=C1)CCC1=CC=CC=C1	REAL300013277264	0	59	0.0	-72.14	467.96	12.72	-59.42
CC(C)CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=N1	REAL300013277265	0	48	0.0	-65.18	373.36	7.67	-57.51
O=C([O-])COCCOCC[NH2+]C(CC1=CC=CC=C1F)CC1=CC=CC=C1F	REAL300013277266	0	53	0.0	-74.28	436.07	11.17	-63.11
COC1=CC=C2OCCCC([NH2+]CCOCCOCC(=O)[O-])C2=C1	REAL300013277267	0	49	0.0	-70.08	380.36	6.47	-63.61
O=C([O-])COCCOCC[NH2+]C1CCCSC2=CC=C(Cl)C=C21	REAL300013277268	0	45	0.0	-59.42	372.41	8.87	-50.55
CC(C)C(CCC1=CC=C(Cl)C=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277269	0	52	0.0	-69.43	414.95	9.90	-59.53
O=C([O-])COCCOCC[NH2+]C1CSCCC2=CC=CC=C21	REAL300013277270	0	45	0.0	-62.62	357.43	8.65	-53.97
CC1=CC=C2C(=C1)OCCCC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013277271	0	48	0.0	-56.01	372.26	7.86	-48.15
CC([NH2+]CCOCCOCC(=O)[O-])C12CC3CC(CC(C3)C1)C2	REAL300013277272	0	54	0.0	-62.91	378.84	8.57	-54.34
O=C([O-])COCCOCC[NH2+]C(C1=CC=C(Cl)C=C1)C1CC1	REAL300013277273	0	44	0.0	-65.97	367.05	8.59	-57.38
CC(C)(C)CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1	REAL300013277274	0	52	0.0	-63.90	393.85	8.65	-55.25
O=C([O-])COCCOCC[NH2+]C(C1=CC=CS1)C1CCCC1	REAL300013277275	0	47	0.0	-68.88	372.95	8.07	-60.81
CS(=O)(=O)C1CCCCC1[NH2+]CCOCCOCC(=O)[O-]	REAL300013277276	0	46	0.0	-73.14	364.19	3.31	-69.83
CC1=CC=CC=C1C(CN1CCOCC1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277277	0	56	0.0	-71.41	419.61	5.97	-65.44
O=C([O-])COCCOCC[NH2+]C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300013277278	0	47	0.0	-67.97	381.47	9.82	-58.15
CN1C=C(C([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC(F)=C2)C=N1	REAL300013277279	0	47	0.0	-81.15	393.67	7.64	-73.51
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(S(N)(=O)=O)C=C1	REAL300013277280	0	45	0.0	-76.42	379.59	1.79	-74.63
COC1=C2OC(C(C)[NH2+]CCOCCOCC(=O)[O-])=CC2=CC=C1	REAL300013277281	0	47	0.0	-65.41	385.66	6.56	-58.85
CC([NH2+]CCOCCOCC(=O)[O-])C(C1=CC=CC=C1)N1CCOCC1	REAL300013277282	0	56	0.0	-68.28	413.81	5.52	-62.76
CC([NH2+]CCOCCOCC(=O)[O-])C1=NC2=CC=CC=C2N1C	REAL300013277283	0	46	0.0	-69.76	374.31	6.92	-62.84
COC1=CC=CC(CC([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300013277284	0	54	0.0	-66.29	432.95	9.89	-56.40
CC(CCC1=CC=C(Cl)S1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277285	0	43	0.0	-68.48	375.54	8.05	-60.43
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC2=C(CCCC2)S1	REAL300013277286	0	47	0.0	-60.89	381.14	8.53	-52.36
O=C([O-])COCCOCC[NH2+]C1CCN(C2=NC=CS2)CC1	REAL300013277287	0	45	0.0	-68.45	367.12	4.66	-63.79
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Br)C(F)=C1	REAL300013277288	0	40	0.0	-68.99	352.38	7.50	-61.49
CC1=CC(Cl)=C2OCCCC([NH2+]CCOCCOCC(=O)[O-])C2=C1	REAL300013277289	0	48	0.0	-58.02	388.29	8.40	-49.62
CC(C)C1=CC=C2OCCCC([NH2+]CCOCCOCC(=O)[O-])C2=C1	REAL300013277290	0	54	0.0	-71.26	411.07	9.11	-62.15
CC1=CC(Cl)=CC2=C1OCCCC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013277291	0	48	0.0	-70.76	387.63	8.44	-62.32
O=C([O-])COCCOCC[NH2+]C1CCCOC2=CC3=C(C=C21)CCC3	REAL300013277292	0	52	0.0	-63.10	395.59	8.66	-54.44
CC(C)C1=CC=CC2=C1OCCCC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013277293	0	54	0.0	-70.91	409.53	9.19	-61.72
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OCC2CCCCO2)C(F)=C1	REAL300013277294	0	58	0.0	-73.14	458.16	8.46	-64.68
CCOC(=O)C(F)(F)C1CCCC([NH2+]CCOCCOCC(=O)[O-])C1	REAL300013277295	0	52	0.0	-68.59	413.40	7.87	-60.72
CC(C)(C)C1CCCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013277296	0	55	0.0	-64.06	390.85	8.08	-55.98
COC1=CC(NC(C)=O)=CC=C1C(C)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277297	0	51	0.0	-67.15	409.45	5.14	-62.01
CC1=NC(C(C)[NH2+]CCOCCOCC(=O)[O-])=C(C)S1	REAL300013277298	0	42	0.0	-59.00	353.58	5.17	-53.83
CCOC(=O)C(F)(F)C1CCC([NH2+]CCOCCOCC(=O)[O-])C1	REAL300013277299	0	49	0.0	-69.84	400.53	7.49	-62.35
COC1=CC=C2CCC([NH2+]CCOCCOCC(=O)[O-])CC2=C1	REAL300013277300	0	48	0.0	-67.99	378.14	7.05	-60.94
O=C([O-])COCCOCC[NH2+]C1CCC2=C(F)C=C(F)C=C21	REAL300013277301	0	41	0.0	-68.79	344.72	7.38	-61.41
COC1=CC=CC(CC([NH2+]CCOCCOCC(=O)[O-])C2CC2)=C1	REAL300013277302	0	51	0.0	-61.04	406.74	8.31	-52.73
O=C([O-])COCCOCC[NH2+]C1CCC2=C(F)C=CC(F)=C21	REAL300013277303	0	41	0.0	-62.89	342.54	7.43	-55.46
CC(CC1=C(Cl)C=CC=C1Cl)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277304	0	43	0.0	-58.38	369.46	8.70	-49.68
O=C([O-])COCCOCC[NH2+]C1CCCC1CC1=CC=CC=C1[N+](=O)[O-]	REAL300013277305	0	52	0.0	-65.75	407.70	10.07	-55.68
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC(Cl)=C(N)C(Cl)=C1	REAL300013277306	0	42	0.0	-66.04	369.21	5.85	-60.19
CC1=CC=C2CCCC([NH2+]CCOCCOCC(=O)[O-])C2=C1	REAL300013277307	0	47	0.0	-62.19	366.22	8.53	-53.66
CCCCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1Cl	REAL300013277308	0	49	0.0	-67.09	412.40	10.04	-57.05
CCCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1Cl	REAL300013277309	0	46	0.0	-65.49	394.88	9.20	-56.29
CCSC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1	REAL300013277310	0	47	0.0	-66.88	387.05	8.69	-58.19
CC([NH2+]CCOCCOCC(=O)[O-])C1=NC=C(Br)S1	REAL300013277311	1	36	0.0	-66.04	333.82	4.61	-61.43
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)N=C1	REAL300013277312	0	39	0.0	-71.08	337.19	5.46	-65.62
O=C([O-])COCCOCC[NH2+]C1CCC2=CC(Cl)=CC(Cl)=C21	REAL300013277313	0	41	0.0	-60.72	360.64	8.34	-52.38
O=C([O-])COCCOCC[NH2+]C1CCC2=C(F)C=CC(Br)=C21	REAL300013277314	0	41	0.0	-60.44	353.94	8.04	-52.40
O=C([O-])COCCOCC[NH2+]C1CCC2=C(Cl)C=C(Br)C=C21	REAL300013277315	0	41	0.0	-67.31	369.53	8.35	-58.96
O=C([O-])COCCOCC[NH2+]C1CCC2=C(Br)C=C(Cl)C=C21	REAL300013277316	0	41	0.0	-67.39	369.38	8.34	-59.05
CCOC(=O)C1CCC([NH2+]CCOCCOCC(=O)[O-])CC1C	REAL300013277317	0	52	0.0	-71.07	395.84	7.36	-63.71
CC(C)C1=CC=C2CCCC([NH2+]CCOCCOCC(=O)[O-])C2=C1	REAL300013277318	0	53	0.0	-61.96	405.08	9.76	-52.20
O=C([O-])COCCOCC[NH2+]C1CCC2=CC=C(Cl)C=C21	REAL300013277319	0	41	0.0	-72.91	346.63	7.62	-65.29
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277320	0	54	0.0	-73.63	422.83	7.36	-66.27
O=C([O-])COCCOCC[NH2+]C(C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300013277321	0	47	0.0	-72.79	387.87	9.89	-62.90
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300013277322	0	40	0.0	-68.89	347.97	7.40	-61.49
O=C([O-])COCCOCC[NH2+]C1CCCCC(C2=CC=CC=C2)C1	REAL300013277323	0	53	0.0	-65.20	399.91	9.50	-55.70
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C2OCCCC2=C1	REAL300013277324	0	51	0.0	-66.16	397.87	8.06	-58.10
CC1=CC=CC2=C1C(C)CC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013277325	0	47	0.0	-59.36	365.40	8.39	-50.97
CCOC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300013277326	0	49	0.0	-82.01	402.76	8.48	-73.53
CCC(CSC1=CC=CC=C1[N+](=O)[O-])[NH2+]CCOCCOCC(=O)[O-]	REAL300013277327	0	49	0.0	-77.48	404.55	9.14	-68.34
CN1CCOC(C([NH2+]CCOCCOCC(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300013277328	0	53	0.0	-68.75	423.00	5.67	-63.08
CC1(C2=CC=CC=C2)CCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013277329	0	53	0.0	-62.54	389.94	9.39	-53.15
CC(C)C1=CC=C(C2(O)CCC([NH2+]CCOCCOCC(=O)[O-])CC2)C=C1	REAL300013277330	0	60	0.0	-64.49	446.02	8.20	-56.29
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC=C1N(C)C	REAL300013277331	0	48	0.0	-61.49	376.60	6.84	-54.65
O=C([O-])COCCOCC[NH2+]C1CCCC2=CC=C(Br)C=C21	REAL300013277332	0	44	0.0	-64.26	366.11	8.48	-55.78
O=C([O-])COCCOCC[NH2+]C(C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300013277333	0	47	0.0	-68.88	389.05	9.06	-59.82
COCCC1=NC(C)=C(C(C)[NH2+]CCOCCOCC(=O)[O-])S1	REAL300013277334	0	49	0.0	-66.11	408.38	5.00	-61.11
CC([NH2+]CCOCCOCC(=O)[O-])C1=NC2=C(CCCC2)S1	REAL300013277335	0	46	0.0	-60.20	376.73	6.47	-53.73
CC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C2CCCC2)O1	REAL300013277336	0	50	0.0	-62.16	386.99	8.15	-54.01
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC(C)=CC=C1OC	REAL300013277337	0	50	0.0	-61.40	389.10	7.60	-53.80
O=C([O-])COCCOCC[NH2+]C(C1=CC=CC=C1)C1CCCCC1	REAL300013277338	0	53	0.0	-70.52	397.24	9.71	-60.81
CC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C2CC2)C=C1	REAL300013277339	0	47	0.0	-62.79	371.74	8.75	-54.04
CCCCCOC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C2CC2)C=C1	REAL300013277340	0	60	0.0	-65.57	466.16	10.65	-54.92
CCCCCC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C2CC2)C=C1	REAL300013277341	0	59	0.0	-62.68	457.69	11.85	-50.83
CCCCCC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C(C)C)C=C1	REAL300013277342	0	61	0.0	-62.48	461.87	11.65	-50.83
O=C([O-])COCCOCC[NH2+]C(C1=CC=C(Br)C=C1)C1CC1	REAL300013277343	0	44	0.0	-66.11	371.61	8.70	-57.41
O=C([O-])COCCOCC[NH2+]C(C1=CC=C(F)C=C1)C1CC1	REAL300013277344	0	44	0.0	-66.89	356.73	8.13	-58.76
CC(CC1=CC=C(Cl)C=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277345	0	43	0.0	-63.34	362.87	8.08	-55.26
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(S(N)(=O)=O)=C1	REAL300013277346	0	45	0.0	-72.45	379.63	1.79	-70.66
CC(C)C([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013277347	0	46	0.0	-65.70	371.21	8.39	-57.31
COC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C(C)C)C=C1	REAL300013277348	0	50	0.0	-66.26	384.16	7.18	-59.08
O=C([O-])COCCOCC[NH2+]C(C1=CC=C(Cl)C(Cl)=C1)C1CC1	REAL300013277349	0	44	0.0	-68.77	389.05	9.27	-59.50
CC(C)C([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013277350	0	49	0.0	-69.00	400.48	9.05	-59.95
CCC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C(C)C)C=C1	REAL300013277351	0	52	0.0	-60.62	404.53	9.46	-51.16
CCCC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C(C)C)C=C1	REAL300013277352	0	55	0.0	-62.50	419.03	10.12	-52.38
CC(C)C([NH2+]CCOCCOCC(=O)[O-])C1=CC=C2NC(=O)OC2=C1	REAL300013277353	0	49	0.0	-76.09	393.39	5.54	-70.55
O=C([O-])COCCOCC[NH2+]C(C1=CC=C(F)C=C1)C1CCCC1	REAL300013277354	0	50	0.0	-68.17	384.74	9.10	-59.07
COC1=CC=CC=C1C([NH2+]CCOCCOCC(=O)[O-])C1CCCC1	REAL300013277355	0	54	0.0	-62.82	404.37	8.61	-54.21
O=C([O-])COCCOCC[NH2+]C(C1=CC=CC=C1F)C1CCCC1	REAL300013277356	0	50	0.0	-65.71	382.02	9.10	-56.61
CC([NH2+]CCOCCOCC(=O)[O-])C1=NC2=CC=C(Cl)C=C2N1C	REAL300013277357	0	46	0.0	-66.02	391.48	7.44	-58.58
CC(C)C([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300013277358	0	49	0.0	-67.87	393.77	8.91	-58.96
O=C([O-])COCCOCC[NH2+]C1CCC2=C(Br)C=CC=C21	REAL300013277359	0	41	0.0	-65.70	352.45	7.87	-57.83
O=C([O-])COCCOCC[NH2+]C1CCS(=O)(=O)C2=CC=C(F)C=C21	REAL300013277360	1	44	0.0	-82.00	368.30	4.00	-78.00
CC(CS(=O)(=O)C1=CC=CC=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277363	0	46	0.0	-67.15	384.41	4.85	-62.30
O=C([O-])COCCOCC[NH2+]C1CCCC2=CC(SC(F)F)=CC=C21	REAL300013277364	0	48	0.0	-66.02	394.66	9.12	-56.90
N#CC1=CC=C2C(=C1)CCCC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013277365	0	45	0.0	-73.47	365.86	8.23	-65.24
O=C([O-])COCCOCC[NH2+]C1CCCC2=CC(F)=CC=C21	REAL300013277366	0	44	0.0	-68.68	351.46	7.89	-60.79
COCC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300013277367	0	44	0.0	-71.36	368.17	6.28	-65.08
O=C([O-])COCCOCC[NH2+]C1CCC2SCCSC12	REAL300013277368	0	43	0.0	-62.88	356.43	7.06	-55.82
CN(C)C(=O)N1CCC([NH2+]CCOCCOCC(=O)[O-])CC1	REAL300013277369	0	49	0.0	-75.58	371.86	4.53	-71.05
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(OCC#N)C=C1	REAL300013277370	0	45	0.0	-71.16	376.10	6.85	-64.31
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC2=CC(Cl)=CC=C2O1	REAL300013277371	0	43	0.0	-65.91	372.89	7.78	-58.13
CCOC1=C2OC(C(C)[NH2+]CCOCCOCC(=O)[O-])=CC2=CC=C1	REAL300013277372	0	50	0.0	-65.09	407.52	7.49	-57.60
CCC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])OC2=CC=C(C)C=C21	REAL300013277373	0	52	0.0	-64.03	417.67	9.23	-54.80
CCC1=C(C(C)[NH2+]CCOCCOCC(=O)[O-])OC2=CC=CC=C21	REAL300013277374	0	49	0.0	-63.99	396.22	8.55	-55.44
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300013277375	0	49	0.0	-66.55	402.81	9.55	-57.00
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277376	0	52	0.0	-63.35	390.81	9.16	-54.19
N#CC1=CC=C(CN2CCC([NH2+]CCOCCOCC(=O)[O-])CC2)C=C1	REAL300013277377	0	53	0.0	-69.90	424.20	7.16	-62.74
O=C([O-])COCCOCC[NH2+]C(C1=CC2=CC=CC=C2O1)C1=CC=CN=C1	REAL300013277378	1	49	0.0	-78.17	408.41	8.48	-69.69
CC(C)(C)CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(F)C=C1	REAL300013277379	0	52	0.0	-68.41	398.78	8.73	-59.68
CC(C)COC1CC([NH2+]CCOCCOCC(=O)[O-])C1(C)C	REAL300013277380	0	53	0.0	-64.39	410.95	7.43	-56.96
CC1(C)C([NH2+]CCOCCOCC(=O)[O-])C2CCCOC21	REAL300013277381	0	48	0.0	-55.50	347.79	6.60	-48.90
CCOC1CC([NH2+]CCOCCOCC(=O)[O-])C12CCCC2	REAL300013277382	0	51	0.0	-60.06	389.41	7.51	-52.55
CCOC1CC([NH2+]CCOCCOCC(=O)[O-])C12CCC2	REAL300013277383	0	48	0.0	-65.54	378.65	6.59	-58.95
CC(C)(C)CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013277384	0	52	0.0	-67.53	409.13	9.18	-58.35
CCOC1CC([NH2+]CCOCCOCC(=O)[O-])C12CCCCC2	REAL300013277385	0	54	0.0	-64.53	404.96	8.00	-56.53
CCCCOC1CC([NH2+]CCOCCOCC(=O)[O-])C1(C)C	REAL300013277386	0	53	0.0	-64.48	412.49	7.48	-57.00
CCOC1CC([NH2+]CCOCCOCC(=O)[O-])C1(CC)CC	REAL300013277387	0	53	0.0	-61.82	400.81	7.27	-54.55
O=C([O-])COCCOCC[NH2+]C(CC1CCC1)C1=CC=CC=C1	REAL300013277388	0	50	0.0	-61.30	390.19	9.72	-51.58
CCC1(CC)C([NH2+]CCOCCOCC(=O)[O-])CC1OC	REAL300013277389	0	50	0.0	-63.15	376.27	6.46	-56.69
CCC([NH2+]CCOCCOCC(=O)[O-])C1(C(=O)OC)CCC1	REAL300013277390	0	49	0.0	-56.62	366.77	6.63	-49.99
O=C([O-])COCCOCC[NH2+]C1CCCC2=CC=C(F)C=C21	REAL300013277391	0	44	0.0	-65.13	351.21	7.92	-57.21
COC1=CC=C(C(C)[NH2+]CCOCCOCC(=O)[O-])C(Br)=C1	REAL300013277392	0	44	0.0	-67.51	371.48	6.68	-60.83
CCC([NH2+]CCOCCOCC(=O)[O-])C1=CC(F)=CC(Br)=C1	REAL300013277393	0	43	0.0	-64.86	372.12	8.26	-56.60
CC(C)C([NH2+]CCOCCOCC(=O)[O-])C1=CC2=CC=CC=C2O1	REAL300013277394	0	49	0.0	-63.58	388.23	8.54	-55.04
CC(C)(C)C([NH2+]CCOCCOCC(=O)[O-])C1=CC2=CC=CC=C2O1	REAL300013277395	0	52	0.0	-62.75	402.16	8.88	-53.87
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=CC(F)=C1F	REAL300013277397	0	40	0.0	-70.86	336.54	7.00	-63.86
O=C([O-])COCCOCC[NH2+]C1CCCC1C1=CC=C(C(F)(F)F)C=C1	REAL300013277398	0	50	0.0	-64.64	402.62	9.89	-54.75
CC([NH2+]CCOCCOCC(=O)[O-])C1=CC=C(C#N)C(F)=C1	REAL300013277399	0	41	0.0	-76.02	352.10	7.27	-68.75
CC1(C)C([NH2+]CCOCCOCC(=O)[O-])CC1OCC1=CC=CC=C1	REAL300013277400	0	54	0.0	-66.40	429.41	8.95	-57.45
O=C([O-])COCCOCC[NH2+]C1C2=CC=CC=C2C2=CC=CC=C21	REAL300013277401	0	45	0.0	-67.69	367.08	9.20	-58.49
O=C([O-])COCCOCC[NH2+]C(C1=CC=CC=C1)C1=CC=CC=N1	REAL300013277402	0	46	0.0	-66.39	379.19	8.43	-57.96
CC1=CC=C(C)C(C([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300013277403	0	53	0.0	-61.79	417.26	10.93	-50.86
CC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013277404	0	50	0.0	-62.49	402.89	10.49	-52.00
O=C([O-])COCCOCC[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300013277405	0	47	0.0	-71.70	398.20	10.34	-61.36
COC1=CC=C(C([NH2+]CCOCCOCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013277406	0	51	0.0	-65.50	410.95	9.11	-56.39
O=C([O-])COCCOCC[NH2+]C(C1=CC=CC=C1)C1=CC=C(OC(F)F)C=C1	REAL300013277407	0	51	0.0	-67.75	420.71	9.40	-58.35
O=C([O-])COCCOCC[NH2+]C1CCCC2=CC(Cl)=NC=C21	REAL300013277408	0	43	0.0	-69.14	356.67	6.48	-62.66
CC1(C)C(NCCOCCOCC(=O)[O-])[C@@H]2CCC[NH2+][C@@H]21	REAL300013277411	1	49	0.0	-58.00	355.49	6.25	-51.75
O=C([O-])COCCOCC[NH2+]C1CCC2COCCC2C1	REAL300013277413	0	48	0.0	-67.41	362.96	5.55	-61.86
O=C([O-])COCCOCC[NH2+]C1CCOC2=CC=CC=C2C1	REAL300013277414	0	45	0.0	-68.15	355.91	6.46	-61.69
O=C([O-])COCCOCC[NH2+]C1CCCC2=C(C=CS2)C1	REAL300013277415	0	44	0.0	-67.34	355.15	7.42	-59.92
COC1=CC=CC2=C1CCCC([NH2+]CCOCCOCC(=O)[O-])C2	REAL300013277416	0	51	0.0	-66.64	390.62	7.58	-59.06
[NH3+]C1COC2=CC=CC=C2C1NCCOCCOCC(=O)[O-]	REAL300013277417	0	44	0.0	-82.90	349.87	2.37	-80.53
NC1COC2=CC=CC=C2C1[NH2+]CCOCCOCC(=O)[O-]	REAL300013277417	1	44	0.0	-65.20	348.77	3.40	-61.80
COC1=CC=C2C(=C1F)CCCC2[NH2+]CCOCCOCC(=O)[O-]	REAL300013277418	0	48	0.0	-73.91	379.76	7.16	-66.75
O=C([O-])COCCOCC[NH2+]C1CCC2=CC(Cl)=CC=C2C1	REAL300013277419	0	44	0.0	-69.24	365.33	8.27	-60.97
CCC([NH2+]CCOCCOCC(=O)[O-])C(C)CC1=CC=CC=C1	REAL300013277420	0	52	0.0	-62.40	395.91	9.34	-53.06
CC(CC1=CC=C(Cl)C=C1F)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277421	0	43	0.0	-63.52	368.80	8.09	-55.43
COC1=CC=C(CC(C)[NH2+]CCOCCOCC(=O)[O-])C(C)=C1	REAL300013277422	0	50	0.0	-62.83	391.62	7.29	-55.54
CC(CC1=C(F)C=CC(F)=C1F)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277423	0	43	0.0	-63.73	361.66	7.80	-55.93
CC(CC1=C(F)C=CC(Cl)=C1F)[NH2+]CCOCCOCC(=O)[O-]	REAL300013277424	0	43	0.0	-62.79	371.56	8.24	-54.55
COC1=CC=C(CCC(C)[NH2+]CCOCCOCC(=O)[O-])C(C)=C1	REAL300013277425	0	53	0.0	-67.48	413.13	8.10	-59.38
CC1CCC([NH2+]CCOCCOCC(=O)[O-])CC2=CC=CC=C21	REAL300013277426	0	50	0.0	-67.78	372.68	8.48	-59.30
O=C([O-])COCCOCCNC1C[NH2+]CC12CCOCC2	REAL300013277428	0	47	0.0	-67.74	354.34	2.03	-65.71
CC1CC2=CC=CC=C2C([NH2+]CCOCCOCC(=O)[O-])C1	REAL300013277429	0	47	0.0	-63.82	360.49	8.18	-55.64
O=C([O-])COCCOCCNC1C[NH2+]CC1CC1=CC=CC=C1	REAL300013277433	0	49	0.0	-66.40	391.22	5.67	-60.73
COC1=CC=CC(CN2CCC([NH2+]CCOCCOCC(=O)[O-])CC2)=C1	REAL300013277435	0	56	0.0	-68.84	432.07	5.91	-62.93
CC1(C)CC(F)(F)CCC1[NH2+]CCOCCOCC(=O)[O-]	REAL300013277438	0	46	0.0	-69.18	347.28	6.74	-62.44
CC1=CC=C(C2CCC([NH2+]CCOCCOCC(=O)[O-])CC2)C=C1	REAL300013277439	0	53	0.0	-66.95	408.84	9.73	-57.22
O=C([O-])COCCOCC[NH2+]C1CCC2(C1)CCOCC2	REAL300013277440	0	48	0.0	-66.00	361.55	5.47	-60.53
O=C([O-])COCCOCC[NH2+]C1CCC1CC1=CC=CC=C1	REAL300013277442	0	47	0.0	-66.18	374.91	9.10	-57.08
O=C([O-])C1=CN=C(N2CCC[N@@H+](C3CCCC3)CC2)C(Cl)=C1	REAL300013277456	0	44	0.0	-61.64	331.21	8.79	-52.85
O=C([O-])C1=CN=C(N2CCC[N@H+](C3CCCC3)CC2)C(Cl)=C1	REAL300013277456	1	44	0.0	-60.01	334.84	9.26	-50.75
O=C([O-])C1=CC2=C(N3CCC[N@@H+](C4CCCC4)CC3)N=CNC2=N1	REAL300013277457	0	47	0.0	-100.38	345.50	11.01	-89.37
O=C([O-])C1=CC2=C(N3CCC[N@H+](C4CCCC4)CC3)N=CNC2=N1	REAL300013277457	1	47	0.0	-100.45	345.85	10.99	-89.46
O=C([O-])C1=CC=CC(N2CCN(C3=CC(N4CCOCC4)=NC=[NH+]3)CC2)=N1	REAL300013277458	0	49	0.0	-72.61	377.91	6.11	-66.50
O=C([O-])C1=CC=CC(N2CCN(C3=CC(N4CCOCC4)=[NH+]C=N3)CC2)=N1	REAL300013277458	1	49	0.0	-75.41	377.97	6.11	-69.30
O=C([O-])C1=CC=CC(N2CCN(C3=CC(N4CCOCC4)=NC=[NH+]3)CC2)=N1	REAL300013277460	0	49	0.0	-72.61	377.91	6.11	-66.50
O=C([O-])C1=CC=CC(N2CCN(C3=CC(N4CCOCC4)=[NH+]C=N3)CC2)=N1	REAL300013277460	1	49	0.0	-75.41	377.97	6.11	-69.30
O=C([O-])C1=CC=CC(N2CCN(C3=CC(N4CCOCC4)=NC=[NH+]3)CC2)=N1	REAL300013277461	0	49	0.0	-72.61	377.91	6.11	-66.50
O=C([O-])C1=CC=CC(N2CCN(C3=CC(N4CCOCC4)=[NH+]C=N3)CC2)=N1	REAL300013277461	1	49	0.0	-75.41	377.97	6.11	-69.30
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013277462	0	49	0.0	-84.75	376.65	9.92	-74.83
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NC=CC=C1C(=O)[O-]	REAL300013277463	0	49	0.0	-57.06	374.25	9.34	-47.72
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013277464	1	49	0.0	-66.16	392.42	9.01	-57.15
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013277465	0	49	0.0	-84.75	376.65	9.92	-74.83
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013277466	0	49	0.0	-84.75	376.65	9.92	-74.83
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013277467	0	52	0.0	-103.54	402.01	10.61	-92.93
COC1=CC=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013277469	0	42	0.0	-50.37	328.26	7.18	-43.19
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=CC=CC=C2F)CC1	REAL300013277482	0	42	0.0	-47.80	335.54	11.30	-36.50
O=C([O-])C1=CC=C[NH+]=C1N1CCC(N2CCCCC2=O)CC1	REAL300013277488	0	43	0.0	-64.61	323.76	8.45	-56.16
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CSC2=CC=CC=C2)C1	REAL300013277512	0	40	0.0	-51.48	331.01	11.00	-40.48
O=C([O-])C1=CN=C(N2CCC(C[NH+]3CCCC3)C2)C(Cl)=C1	REAL300013277518	0	41	0.0	-65.30	329.72	8.59	-56.71
O=C([O-])C1=CC2=C(N3CCC(C[NH+]4CCCC4)C3)N=CNC2=N1	REAL300013277519	0	44	0.0	-105.61	341.34	9.77	-95.84
O=C([O-])C1=CC=C[NH+]=C1N1CCOC(CCC2=CC=CC=C2)C1	REAL300013277537	0	43	0.0	-48.63	344.50	9.95	-38.68
CCCN(CC(=O)[O-])C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013277547	0	46	0.0	-43.14	349.24	6.92	-36.22
CCCN(CC(=O)[O-])C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013277547	1	46	0.0	-47.98	354.07	7.11	-40.87
CCCN(CC(=O)[O-])C1=NC2=CC(OC)=C(OC)C=C2C(N)=[NH+]1	REAL300013277556	0	43	0.0	-39.15	345.55	8.56	-30.59
CCCN(CC(=O)[O-])C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013277558	0	37	0.0	-47.94	309.24	8.40	-39.54
CCCN(CC(=O)[O-])C1=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N1	REAL300013277561	1	51	0.0	-42.53	385.63	11.78	-30.75
CCCN(CC(=O)[O-])C1=CC(C)=[NH+]C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300013277567	1	42	0.0	-53.94	355.60	11.92	-42.02
CCCN(CC(=O)[O-])C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013277590	1	34	0.0	-46.37	291.94	8.01	-38.36
CCCN(CC(=O)[O-])C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013277617	0	46	0.0	-41.72	347.53	6.09	-35.63
CCCN(CC(=O)[O-])C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013277617	1	46	0.0	-47.84	355.96	6.61	-41.23
CCCN(CC(=O)[O-])C1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1	REAL300013277626	0	43	0.0	-49.22	339.45	7.83	-41.39
CCCN(CC(=O)[O-])C1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1	REAL300013277626	1	43	0.0	-47.60	334.55	7.16	-40.44
CCCN(CC(=O)[O-])C1=CC(NC2CCCOC2C(C)C)=[NH+]C=N1	REAL300013277632	0	52	0.0	-46.99	393.08	10.73	-36.26
CCCN(CC(=O)[O-])C1=CC(NC2CCCOC2C(C)C)=NC=[NH+]1	REAL300013277632	1	52	0.0	-42.69	392.32	10.43	-32.26
CCCN(CC(=O)[O-])C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013277639	0	45	0.0	-52.68	359.69	10.18	-42.50
CCCN(CC(=O)[O-])C1=NC(NCCO)=[NH+]C(NC(C)C)=N1	REAL300013277649	0	46	0.0	-45.61	371.03	9.75	-35.86
CCCN(CC(=O)[O-])C1=[NH+]C(NCCO)=NC(NC(C)C)=N1	REAL300013277649	1	46	0.0	-29.93	371.27	9.73	-20.20
CCCN(CC(=O)[O-])C1=NC(NCCO)=NC(NC(C)C)=[NH+]1	REAL300013277649	1	46	0.0	-31.87	370.61	9.72	-22.15
CCCN(CC(=O)[O-])C1=NC(NCC)=[NH+]C(NC(C)(C)C)=N1	REAL300013277653	0	48	0.0	-42.08	370.70	13.69	-28.39
CCCN(CC(=O)[O-])C1=[NH+]C(NCC)=NC(NC(C)(C)C)=N1	REAL300013277653	1	48	0.0	-29.31	372.45	13.95	-15.36
CCCN(CC(=O)[O-])C1=NC(NCC)=NC(NC(C)(C)C)=[NH+]1	REAL300013277653	1	48	0.0	-29.85	374.08	14.04	-15.81
CCCN(CC(=O)[O-])C1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1	REAL300013277665	0	46	0.0	-41.46	354.24	7.34	-34.12
CCCN(CC(=O)[O-])C1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1	REAL300013277665	1	46	0.0	-48.03	355.20	6.89	-41.14
CCCN(CC(=O)[O-])C1=CC=[NH+]C2=CC=C(OC(C)C)C=C21	REAL300013277668	0	44	0.0	-52.41	338.52	8.13	-44.28
CCCN(CC(=O)[O-])C1=C2C(C)=C(C(=O)OCC)SC2=NC(C[NH+](C)C)=N1	REAL300013277698	1	53	0.0	-61.75	423.33	10.87	-50.88
CCCN(CC(=O)[O-])C1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-]	REAL300013277702	0	50	0.0	-67.30	405.71	6.48	-60.82
CCCN(CC(=O)[O-])C1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1	REAL300013277751	1	51	0.0	-55.84	399.03	11.07	-44.77
CCCN(CC(=O)[O-])C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013277752	1	34	0.0	-50.36	291.89	8.02	-42.34
CCCN(CC(=O)[O-])C1=CC=[NH+]C2=CC(OCC)=C(OCC)C=C21	REAL300013277762	0	48	0.0	-49.20	371.30	8.35	-40.85
CCCN(CC(=O)[O-])C1=CC(CC)=[NH+]C(C2=CC=NC=C2)=N1	REAL300013277763	1	42	0.0	-41.82	344.48	10.17	-31.65
CCCN(CC(=O)[O-])C1=CC=[NH+]C2=CC(OC)=C(Br)C=C21	REAL300013277784	0	38	0.0	-49.98	318.94	7.26	-42.72
CCCN(CC(=O)[O-])C1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1	REAL300013277790	0	48	0.0	-36.67	361.45	12.11	-24.56
CCCN(CC(=O)[O-])C1=CC=[NH+]C2=CC(OC)=C(OC)C=C21	REAL300013277796	0	42	0.0	-49.11	327.59	6.52	-42.59
CCCN(CC(=O)[O-])C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013277807	0	43	0.0	-37.30	347.12	11.89	-25.41
CCCN(CC(=O)[O-])C1=CC(NC2=CC=CC=C2)=[NH+]C(C)=N1	REAL300013277819	0	42	0.0	-40.11	341.00	11.09	-29.02
CCCN(CC(=O)[O-])C1=CC(NC2=CC=CC=C2)=NC(C)=[NH+]1	REAL300013277819	1	42	0.0	-38.29	340.62	11.29	-27.00
CCCN(CC(=O)[O-])C1=[NH+]C=CC(N(C)C2CCCCC2)=N1	REAL300013277822	0	48	0.0	-35.34	363.22	13.20	-22.14
CCCN(CC(=O)[O-])C1=[NH+]C(C)=CC(N(C)C2=CC=CC=C2)=N1	REAL300013277824	0	45	0.0	-35.44	363.99	13.09	-22.35
CCCN(CC(=O)[O-])C1=CC=[NH+]C(N(C)C2CCCCC2)=N1	REAL300013277826	0	48	0.0	-43.84	357.46	13.06	-30.78
CCCN(CC(=O)[O-])C1=CC(C)=[NH+]C(N(C)C2=CC=CC=C2)=N1	REAL300013277828	1	45	0.0	-49.65	364.30	13.94	-35.71
CCCN(CC(=O)[O-])C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013277846	0	38	0.0	-47.61	316.54	7.21	-40.40
O=C([O-])C1=CN=C(N2CC[NH+](C3CCCCC3)CC2)C(Cl)=C1	REAL300013277858	0	44	0.0	-61.43	342.45	9.15	-52.28
O=C([O-])C1=CC2=C(N3CC[NH+](C4CCCCC4)CC3)N=CNC2=N1	REAL300013277859	0	47	0.0	-97.13	348.96	10.41	-86.72
CC1=[NH+]C=CN1CCCN(C)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013277901	1	38	0.0	-59.58	330.58	8.57	-51.01
CC1=[NH+]C=CN1CCCN(C)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013277902	1	41	0.0	-94.61	340.19	10.13	-84.48
O=C([O-])C1=CC=CC(N2CCC3C(CCC[N@@H+]3C3CC3)C2)=N1	REAL300013277914	0	45	0.0	-73.58	329.75	8.66	-64.92
O=C([O-])C1=CC=CC(N2CCC3C(CCC[N@H+]3C3CC3)C2)=N1	REAL300013277914	1	45	0.0	-74.01	324.96	8.55	-65.46
O=C([O-])C1=CC=CN=C1N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300013277915	0	45	0.0	-58.13	337.04	9.92	-48.21
O=C([O-])C1=CC=CN=C1N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300013277915	1	45	0.0	-57.97	330.76	9.73	-48.24
O=C([O-])C1=CN=C(N2CCC3C(CCC[N@@H+]3C3CC3)C2)C(Cl)=C1	REAL300013277916	0	45	0.0	-62.40	354.71	9.78	-52.62
O=C([O-])C1=CN=C(N2CCC3C(CCC[N@H+]3C3CC3)C2)C(Cl)=C1	REAL300013277916	1	45	0.0	-61.93	348.87	9.42	-52.51
O=C([O-])C1=CC=CC(N2CCC3C(CCC[N@@H+]3C3CC3)C2)=N1	REAL300013277917	0	45	0.0	-73.58	329.75	8.66	-64.92
O=C([O-])C1=CC=CC(N2CCC3C(CCC[N@H+]3C3CC3)C2)=N1	REAL300013277917	1	45	0.0	-74.01	324.96	8.55	-65.46
O=C([O-])C1=CC=CC(N2CCC3C(CCC[N@@H+]3C3CC3)C2)=N1	REAL300013277918	0	45	0.0	-73.58	329.75	8.66	-64.92
O=C([O-])C1=CC=CC(N2CCC3C(CCC[N@H+]3C3CC3)C2)=N1	REAL300013277918	1	45	0.0	-74.01	324.96	8.55	-65.46
O=C([O-])C1=CC2=C(N3CCC4C(CCC[N@@H+]4C4CC4)C3)N=CNC2=N1	REAL300013277919	0	48	0.0	-97.32	361.33	10.87	-86.45
O=C([O-])C1=CC2=C(N3CCC4C(CCC[N@H+]4C4CC4)C3)N=CNC2=N1	REAL300013277919	1	48	0.0	-95.79	355.27	10.70	-85.09
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OCC2CCCCO2)CC1	REAL300013277935	0	47	0.0	-55.34	360.17	8.31	-47.03
O=C([O-])C1=CC=CC(NC2CC[NH+](C3CCCCC3)CC2)=N1	REAL300013277940	0	47	0.0	-79.32	341.14	8.97	-70.35
O=C([O-])C1=CC=CN=C1NC1CC[NH+](C2CCCCC2)CC1	REAL300013277941	0	47	0.0	-59.30	342.35	9.87	-49.43
O=C([O-])C1=CN=C(NC2CC[NH+](C3CCCCC3)CC2)C(Cl)=C1	REAL300013277942	0	47	0.0	-67.47	358.08	9.94	-57.53
O=C([O-])C1=CC=CC(NC2CC[NH+](C3CCCCC3)CC2)=N1	REAL300013277943	0	47	0.0	-79.32	341.14	8.97	-70.35
O=C([O-])C1=CC=CC(NC2CC[NH+](C3CCCCC3)CC2)=N1	REAL300013277944	0	47	0.0	-79.32	341.14	8.97	-70.35
O=C([O-])C1=CC2=C(NC3CC[NH+](C4CCCCC4)CC3)N=CNC2=N1	REAL300013277945	0	50	0.0	-103.73	371.26	10.29	-93.44
O=C([O-])C1=CC=CC(NC2CCCN(C3=CC(N4CCOCC4)=NC=[NH+]3)C2)=N1	REAL300013277948	0	52	0.0	-73.47	399.09	6.76	-66.71
O=C([O-])C1=CC=CC(NC2CCCN(C3=CC(N4CCOCC4)=[NH+]C=N3)C2)=N1	REAL300013277948	1	52	0.0	-75.85	398.97	6.76	-69.09
O=C([O-])C1=CC=CC(NC2CCCN(C3=CC(N4CCOCC4)=NC=[NH+]3)C2)=N1	REAL300013277950	0	52	0.0	-73.47	399.09	6.76	-66.71
O=C([O-])C1=CC=CC(NC2CCCN(C3=CC(N4CCOCC4)=[NH+]C=N3)C2)=N1	REAL300013277950	1	52	0.0	-75.85	398.97	6.76	-69.09
O=C([O-])C1=CC=CC(NC2CCCN(C3=CC(N4CCOCC4)=NC=[NH+]3)C2)=N1	REAL300013277951	0	52	0.0	-73.47	399.09	6.76	-66.71
O=C([O-])C1=CC=CC(NC2CCCN(C3=CC(N4CCOCC4)=[NH+]C=N3)C2)=N1	REAL300013277951	1	52	0.0	-75.85	398.97	6.76	-69.09
CN(CC1([NH+](C)C)CCC1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013277977	0	43	0.0	-90.30	318.70	8.83	-81.47
O=C([O-])C1=CC=CC(NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)=N1	REAL300013277986	0	48	0.0	-83.89	371.81	9.37	-74.52
O=C([O-])C1=CC=CC(NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)=N1	REAL300013277986	1	48	0.0	-84.05	371.27	8.98	-75.07
O=C([O-])C1=CC=CN=C1NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300013277987	0	48	0.0	-65.11	367.84	9.90	-55.21
O=C([O-])C1=CC=CN=C1NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300013277987	1	48	0.0	-63.91	367.60	9.48	-54.43
O=C([O-])C1=CN=C(NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)C(Cl)=C1	REAL300013277988	0	48	0.0	-71.20	387.31	10.21	-60.99
O=C([O-])C1=CN=C(NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)C(Cl)=C1	REAL300013277988	1	48	0.0	-70.22	386.93	9.81	-60.41
O=C([O-])C1=CC=CC(NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)=N1	REAL300013277989	0	48	0.0	-83.89	371.81	9.37	-74.52
O=C([O-])C1=CC=CC(NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)=N1	REAL300013277989	1	48	0.0	-84.05	371.27	8.98	-75.07
O=C([O-])C1=CC=CC(NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)=N1	REAL300013277990	0	48	0.0	-83.89	371.81	9.37	-74.52
O=C([O-])C1=CC=CC(NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)=N1	REAL300013277990	1	48	0.0	-84.05	371.27	8.98	-75.07
O=C([O-])C1=CC2=C(NCC3C[N@H+](CC4=CC=CC=C4)CCCO3)N=CNC2=N1	REAL300013277991	0	51	0.0	-107.53	400.47	10.56	-96.97
O=C([O-])C1=CC2=C(NCC3C[N@@H+](CC4=CC=CC=C4)CCCO3)N=CNC2=N1	REAL300013277991	1	51	0.0	-107.84	399.95	10.18	-97.66
CCCN1C=C[NH+]=C1CCCN(C)C1=CC=CC(C(=O)[O-])=N1	REAL300013277992	1	44	0.0	-76.72	353.45	10.71	-66.01
CCCN1C=CN=C1CCCN(C)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013277993	0	44	0.0	-51.72	347.29	10.10	-41.62
CCCN1C=C[NH+]=C1CCCN(C)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013277994	1	44	0.0	-59.65	369.22	9.83	-49.82
CCCN1C=C[NH+]=C1CCCN(C)C1=CC=CC(C(=O)[O-])=N1	REAL300013277995	1	44	0.0	-76.72	353.45	10.71	-66.01
CCCN1C=C[NH+]=C1CCCN(C)C1=CC=CC(C(=O)[O-])=N1	REAL300013277996	1	44	0.0	-76.72	353.45	10.71	-66.01
CCCN1C=C[NH+]=C1CCCN(C)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013277997	1	47	0.0	-95.51	378.91	11.39	-84.12
CC1=CC(N(C)CC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013278007	1	36	0.0	-48.30	312.29	10.21	-38.09
CN(CC(=O)[O-])C1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1[N+](=O)[O-]	REAL300013278012	0	47	0.0	-82.83	392.05	5.67	-77.16
CC1=[NH+]C2=CC=C(Br)C=C2C(N(C)CC(=O)[O-])=C1C	REAL300013278033	0	34	0.0	-54.87	283.28	7.55	-47.32
CCOC(=O)C1=C(N(C)CC(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013278044	1	40	0.0	-55.54	322.15	6.77	-48.77
CCOC(=O)C1=C(N(C)CC(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013278045	1	43	0.0	-50.68	329.26	9.33	-41.35
CC(C)C1OCCCC1NC1=CC(N(C)CC(=O)[O-])=NC=[NH+]1	REAL300013278057	0	46	0.0	-44.77	349.76	9.02	-35.75
CC(C)C1OCCCC1NC1=CC(N(C)CC(=O)[O-])=[NH+]C=N1	REAL300013278057	1	46	0.0	-35.36	349.12	8.75	-26.61
CN(CC(=O)[O-])C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013278065	0	39	0.0	-61.56	323.11	8.88	-52.68
CN(CC(=O)[O-])C1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013278069	1	35	0.0	-41.03	300.88	8.92	-32.11
CCOC(=O)C1=C(C)C2=C(N(C)CC(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013278114	1	47	0.0	-62.17	387.77	9.61	-52.56
CN(CC(=O)[O-])C1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-]	REAL300013278117	0	44	0.0	-84.69	370.55	4.90	-79.79
CN(CC(=O)[O-])C1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1	REAL300013278157	1	45	0.0	-57.08	363.21	11.00	-46.08
CCOC1=CC2=[NH+]C=CC(N(C)CC(=O)[O-])=C2C=C1OCC	REAL300013278164	0	42	0.0	-57.35	334.84	7.06	-50.29
COC1=CC2=[NH+]C=CC(N(C)CC(=O)[O-])=C2C=C1Br	REAL300013278178	0	32	0.0	-59.82	282.48	5.96	-53.86
CC1=CC2=C(N(C)CC(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013278183	0	41	0.0	-49.87	312.99	8.95	-40.92
CN(CC(=O)[O-])C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013278209	0	32	0.0	-56.53	278.78	5.78	-50.75
COC1=CC=CC(OCC[NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013278215	0	49	0.0	-78.59	383.88	8.21	-70.38
COC1=CC=CC(OCC[NH+]2CCN(C3=NC=CC=C3C(=O)[O-])CC2)=C1	REAL300013278216	1	49	0.0	-57.38	384.23	9.08	-48.30
COC1=CC=CC(OCC[NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013278218	0	49	0.0	-78.59	383.88	8.21	-70.38
COC1=CC=CC(OCC[NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013278219	0	49	0.0	-78.59	383.88	8.21	-70.38
COC1=CC=CC(OCC[NH+]2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)=C1	REAL300013278220	0	52	0.0	-105.28	409.01	10.05	-95.23
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=CC=CC(Br)=C2)CC1	REAL300013278239	0	39	0.0	-49.70	328.79	11.07	-38.63
CC(NC1=CC=CC(C(=O)[O-])=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013278253	0	47	0.0	-74.64	367.63	10.33	-64.31
CC(NC1=CC=CC(C(=O)[O-])=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013278253	1	47	0.0	-83.06	368.89	10.39	-72.67
CC(NC1=NC=C(C(=O)[O-])C=C1Cl)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013278254	0	47	0.0	-71.48	383.81	11.20	-60.28
CC(NC1=NC=C(C(=O)[O-])C=C1Cl)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013278254	1	47	0.0	-71.92	384.88	11.31	-60.61
CC(NC1=CC=CC(C(=O)[O-])=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013278255	0	47	0.0	-74.64	367.63	10.33	-64.31
CC(NC1=CC=CC(C(=O)[O-])=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013278255	1	47	0.0	-83.06	368.89	10.39	-72.67
CC(NC1=CC=CC(C(=O)[O-])=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013278256	0	47	0.0	-74.64	367.63	10.33	-64.31
CC(NC1=CC=CC(C(=O)[O-])=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013278256	1	47	0.0	-83.06	368.89	10.39	-72.67
CC(NC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013278257	0	50	0.0	-107.21	397.98	11.63	-95.58
CC(NC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013278257	1	50	0.0	-106.56	397.47	11.55	-95.01
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)C2=CC=C(F)C=C2)CC1	REAL300013278272	0	41	0.0	-63.25	336.33	10.43	-52.82
CN(CC[NH+]1CCOCC1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013278301	1	41	0.0	-106.67	324.35	7.24	-99.43
O=C([O-])[C@H]1CCCN1C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013278320	0	44	0.0	-34.24	331.91	5.01	-29.23
O=C([O-])[C@H]1CCCN1C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013278320	1	44	0.0	-34.95	327.97	4.41	-30.54
COC1=CC2=NC(N3CCC[C@@H]3C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013278329	0	41	0.0	-57.67	326.07	6.04	-51.63
O=C([O-])[C@H]1CCCN1C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013278331	0	35	0.0	-32.08	288.78	7.44	-24.64
O=C([O-])[C@H]1CCCN1C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013278364	1	32	0.0	-31.23	271.50	7.04	-24.19
O=C([O-])[C@H]1CCCN1C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013278391	0	44	0.0	-39.84	334.91	3.74	-36.10
O=C([O-])[C@H]1CCCN1C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013278391	1	44	0.0	-52.55	335.86	4.67	-47.88
CN1CCN(C2=CC(N3CCC[C@@H]3C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013278400	0	41	0.0	-57.01	317.99	5.16	-51.85
CN1CCN(C2=CC(N3CCC[C@@H]3C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013278400	1	41	0.0	-54.51	315.13	5.23	-49.28
O=C([O-])[C@H]1CCCN1C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013278412	0	43	0.0	-59.99	346.57	9.85	-50.14
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013278421	0	44	0.0	-39.23	343.04	5.62	-33.61
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013278421	1	44	0.0	-28.70	345.50	5.73	-22.97
CC(C)NC1=NC(NCCO)=NC(N2CCC[C@@H]2C(=O)[O-])=[NH+]1	REAL300013278421	1	44	0.0	-28.14	344.29	5.68	-22.46
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013278425	0	46	0.0	-34.98	346.58	9.86	-25.12
CCNC1=NC(NC(C)(C)C)=NC(N2CCC[C@@H]2C(=O)[O-])=[NH+]1	REAL300013278425	1	46	0.0	-43.24	352.99	11.20	-32.04
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC[C@@H]2C(=O)[O-])=N1	REAL300013278425	1	46	0.0	-41.70	350.83	10.92	-30.78
CC(O)C1CCN(C2=CC(N3CCC[C@@H]3C(=O)[O-])=[NH+]C=N2)C1	REAL300013278436	0	44	0.0	-42.28	337.80	3.79	-38.49
CC(O)C1CCN(C2=CC(N3CCC[C@@H]3C(=O)[O-])=NC=[NH+]2)C1	REAL300013278436	1	44	0.0	-35.61	333.38	4.12	-31.49
CC(C)OC1=CC2=C(N3CCC[C@@H]3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013278439	0	42	0.0	-63.86	329.59	8.02	-55.84
CCOC(=O)C1=C(C)C2=C(N3CCC[C@@H]3C(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013278469	1	51	0.0	-62.12	409.82	10.57	-51.55
C[NH+](C)CCNS(=O)(=O)C1=CC=C(N2CCC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300013278473	0	48	0.0	-74.39	388.17	5.29	-69.10
C[NH+](C)CC1=NC(N2CCC[C@@H]2C(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013278521	1	49	0.0	-36.61	378.65	10.77	-25.84
O=C([O-])[C@H]1CCCN1C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013278522	1	32	0.0	-60.39	281.72	7.79	-52.60
CCOC1=CC2=[NH+]C=CC(N3CCC[C@@H]3C(=O)[O-])=C2C=C1OCC	REAL300013278532	0	46	0.0	-34.49	352.29	7.53	-26.96
COC1=CC2=[NH+]C=CC(N3CCC[C@@H]3C(=O)[O-])=C2C=C1Br	REAL300013278553	0	36	0.0	-33.87	299.98	6.43	-27.44
CC1(C)CCCN(C2=CC=[NH+]C(N3CCC[C@@H]3C(=O)[O-])=N2)C1	REAL300013278559	0	46	0.0	-59.62	342.83	8.94	-50.68
COC1=CC2=[NH+]C=CC(N3CCC[C@@H]3C(=O)[O-])=C2C=C1OC	REAL300013278564	0	40	0.0	-34.82	308.63	5.69	-29.13
O=C([O-])[C@H]1CCCN1C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013278575	0	41	0.0	-28.30	321.07	7.90	-20.40
CN(C1=CC=[NH+]C(N2CCC[C@@H]2C(=O)[O-])=N1)C1CCCCC1	REAL300013278589	0	46	0.0	-52.35	343.02	10.73	-41.62
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC[C@@H]2C(=O)[O-])=[NH+]1	REAL300013278591	0	43	0.0	-53.02	344.48	10.58	-42.44
CN(C1=[NH+]C=CC(N2CCC[C@@H]2C(=O)[O-])=N1)C1CCCCC1	REAL300013278592	0	46	0.0	-59.38	343.15	11.36	-48.02
O=C([O-])[C@H]1CCCN1C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013278611	0	36	0.0	-31.75	296.15	6.25	-25.50
CCOC(=O)C1(C(C)C)CCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013278624	1	44	0.0	-54.55	332.85	9.11	-45.44
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(Br)C=CC([N+](=O)[O-])=C2C1	REAL300013278630	0	35	0.0	-39.65	296.57	9.00	-30.65
CNS(=O)(=O)C1=CC=CC2=C1CCN(C1=[NH+]C=CC=C1C(=O)[O-])C2	REAL300013278634	0	41	0.0	-51.29	325.73	4.44	-46.85
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=CC(Br)=C2)CC1	REAL300013278641	0	38	0.0	-50.23	319.98	8.51	-41.72
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)NC2=CC(Cl)=CC=C2O)CC1	REAL300013278646	0	44	0.0	-61.36	370.86	6.67	-54.69
CSC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1[NH+](C)C	REAL300013278649	0	38	0.0	-62.38	319.25	7.40	-54.98
CSC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1[NH+](C)C	REAL300013278650	0	41	0.0	-95.08	321.70	8.91	-86.17
CC1=[NH+]C=CN1CCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013278668	1	38	0.0	-97.15	324.50	8.56	-88.59
N#CC1=CC=CC(OC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1	REAL300013278672	0	41	0.0	-59.59	337.60	9.82	-49.77
CS(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1	REAL300013278705	0	46	0.0	-61.24	382.67	6.14	-55.10
O=C([O-])C1=CN=C(NCC2=CC=[NH+]C(N3CCCC3)=C2)C(Cl)=C1	REAL300013278714	1	40	0.0	-63.72	341.15	7.67	-56.05
O=C([O-])C1=CC2=C(NCC3=CC=[NH+]C(N4CCCC4)=C3)N=CNC2=N1	REAL300013278715	1	43	0.0	-95.49	354.33	8.02	-87.47
CC(C)C[NH+]1CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013278722	0	43	0.0	-67.30	342.25	9.25	-58.05
CC(C)C[NH+]1CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013278723	0	46	0.0	-104.43	355.55	9.59	-94.84
CCC1=NC2=CC=CC=C2N1C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013278727	0	48	0.0	-59.50	371.60	11.50	-48.00
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(C(O)C(F)(F)F)C1	REAL300013278735	0	36	0.0	-51.11	291.52	5.55	-45.56
CN(CC(C)(C)C[NH+]1CCOCC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013278745	1	47	0.0	-84.92	333.54	7.72	-77.20
CN(CC(C)(C)CN1CCOCC1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013278746	0	47	0.0	-46.37	334.21	6.18	-40.19
CN(CC(C)(C)C[NH+]1CCOCC1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013278747	1	47	0.0	-62.75	352.46	8.17	-54.58
CN(CC(C)(C)C[NH+]1CCOCC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013278748	1	47	0.0	-84.92	333.54	7.72	-77.20
CN(CC(C)(C)C[NH+]1CCOCC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013278749	1	47	0.0	-84.92	333.54	7.72	-77.20
CN(CC(C)(C)C[NH+]1CCOCC1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013278750	1	50	0.0	-109.17	360.81	9.57	-99.60
CC(C)C(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[NH+]1CCOCC1	REAL300013278755	0	47	0.0	-97.37	351.94	7.99	-89.38
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300013278766	0	41	0.0	-49.56	337.39	8.90	-40.66
CC(C)[C@H](NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013278778	0	46	0.0	-44.77	346.01	5.26	-39.51
CC(C)[C@H](NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013278778	1	46	0.0	-45.31	346.68	5.25	-40.06
CC(C)[C@H](NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013278788	0	37	0.0	-42.65	306.04	8.10	-34.55
CC(C)[C@H](NC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013278817	1	34	0.0	-41.36	288.76	7.71	-33.65
CC(C)[C@H](NC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013278844	0	46	0.0	-41.83	350.17	4.63	-37.20
CC(C)[C@H](NC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013278844	1	46	0.0	-47.56	345.91	4.68	-42.88
CC(C)[C@H](NC1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013278853	0	43	0.0	-50.52	331.89	6.02	-44.50
CC(C)[C@H](NC1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013278853	1	43	0.0	-57.19	334.58	5.97	-51.22
CC(C)[C@H](NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013278864	0	45	0.0	-45.54	362.89	10.14	-35.40
CC(C)NC1=NC(NCCO)=[NH+]C(N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013278872	0	46	0.0	-28.82	360.76	7.76	-21.06
CC(C)NC1=NC(NCCO)=NC(N[C@H](C(=O)[O-])C(C)C)=[NH+]1	REAL300013278872	1	46	0.0	-30.28	365.98	7.96	-22.32
CC(C)NC1=[NH+]C(NCCO)=NC(N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013278872	1	46	0.0	-46.58	362.13	7.80	-38.78
CC(C)[C@H](NC1=CC(N(C)C2=CC=CC=C2)=NC=[NH+]1)C(=O)[O-]	REAL300013278878	1	42	0.0	-43.31	334.68	10.56	-32.75
CC(C)[C@H](NC1=[NH+]C=NC(N2CCC(C(C)O)C2)=C1)C(=O)[O-]	REAL300013278886	0	46	0.0	-40.16	343.65	5.30	-34.86
CC(C)[C@H](NC1=NC=[NH+]C(N2CCC(C(C)O)C2)=C1)C(=O)[O-]	REAL300013278886	1	46	0.0	-47.21	347.41	5.07	-42.14
CC(C)OC1=CC2=C(N[C@H](C(=O)[O-])C(C)C)C=C[NH+]=C2C=C1	REAL300013278889	0	44	0.0	-45.18	336.64	7.95	-37.23
CCOC(=O)C1=C(C)C2=C(N[C@H](C(=O)[O-])C(C)C)N=C(C[NH+](C)C)N=C2S1	REAL300013278919	1	53	0.0	-56.70	426.50	10.55	-46.15
CC(C)[C@H](NC1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013278923	0	50	0.0	-69.03	412.16	5.56	-63.47
CC(C)[C@H](NC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013278971	1	51	0.0	-49.64	410.12	12.01	-37.63
CC(C)[C@H](NC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013278972	1	34	0.0	-43.94	288.77	7.72	-36.22
CC(C)[C@H](NC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013278976	1	34	0.0	-38.30	286.79	7.77	-30.53
CCOC1=CC2=[NH+]C=CC(N[C@H](C(=O)[O-])C(C)C)=C2C=C1OCC	REAL300013278982	0	48	0.0	-44.21	369.60	8.19	-36.02
COC1=CC2=[NH+]C=CC(N[C@H](C(=O)[O-])C(C)C)=C2C=C1Br	REAL300013279003	0	38	0.0	-44.89	322.25	7.22	-37.67
CC(C)[C@H](NC1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)C(=O)[O-]	REAL300013279007	0	48	0.0	-35.92	352.40	9.62	-26.30
COC1=CC2=[NH+]C=CC(N[C@H](C(=O)[O-])C(C)C)=C2C=C1OC	REAL300013279013	0	42	0.0	-45.24	330.89	6.48	-38.76
CC(C)[C@H](NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013279024	0	43	0.0	-37.86	338.13	9.92	-27.94
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N[C@H](C(=O)[O-])C(C)C)=N1	REAL300013279036	1	42	0.0	-38.67	330.49	9.05	-29.62
CC1=NC(NC2=CC=CC=C2)=CC(N[C@H](C(=O)[O-])C(C)C)=[NH+]1	REAL300013279036	1	42	0.0	-38.86	333.60	9.50	-29.36
CC(C)[C@H](NC1=[NH+]C=CC(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013279039	0	48	0.0	-35.85	357.97	11.51	-24.34
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@H](C(=O)[O-])C(C)C)=[NH+]1	REAL300013279041	0	45	0.0	-33.23	353.47	11.08	-22.15
CC(C)[C@H](NC1=CC=[NH+]C(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013279043	0	48	0.0	-43.17	353.62	11.30	-31.87
CC(C)[C@H](NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013279063	0	38	0.0	-42.71	314.05	6.87	-35.84
C[C@@H](NC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013279075	0	47	0.0	-76.32	395.12	4.84	-71.48
C[C@@H](NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013279106	0	39	0.0	-51.59	323.39	8.63	-42.96
CCOC(=O)C1=C(C)C2=C(N[C@H](C)C(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013279139	1	47	0.0	-56.66	387.58	9.08	-47.58
C[C@@H](NC1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013279142	0	44	0.0	-76.54	373.31	4.09	-72.45
C[C@@H](NC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013279173	1	45	0.0	-54.45	374.36	10.55	-43.90
CCOC1=CC2=[NH+]C=CC(N[C@H](C)C(=O)[O-])=C2C=C1OCC	REAL300013279178	0	42	0.0	-49.67	335.45	6.80	-42.87
COC1=CC2=[NH+]C=CC(N[C@H](C)C(=O)[O-])=C2C=C1Br	REAL300013279188	0	32	0.0	-51.01	283.07	5.69	-45.32
C[C@@H](NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013279214	0	32	0.0	-47.61	278.89	5.52	-42.09
COC1=CC(C[NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=CC(OC)=C1	REAL300013279218	1	49	0.0	-73.42	383.50	7.73	-65.69
COC1=CC(C[NH+]2CCN(C3=NC=CC=C3C(=O)[O-])CC2)=CC(OC)=C1	REAL300013279219	1	49	0.0	-57.50	383.47	8.53	-48.97
COC1=CC(C[NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=CC(OC)=C1	REAL300013279221	1	49	0.0	-73.42	383.50	7.73	-65.69
COC1=CC(C[NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=CC(OC)=C1	REAL300013279222	1	49	0.0	-73.42	383.50	7.73	-65.69
COC1=CC(OC)=CC(C[NH+]2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)=C1	REAL300013279223	1	52	0.0	-106.04	408.24	9.51	-96.53
CN(CCN1C(=O)C2=CC=CC=C2C1=O)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013279240	0	39	0.0	-54.57	332.95	8.33	-46.24
CC1=CC=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1C	REAL300013279250	0	44	0.0	-49.50	337.16	9.10	-40.40
CC(C)C[C@H](NC1=CC(N2CCSCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013279272	0	43	0.0	-43.82	341.22	8.82	-35.00
CC(C)C[C@H](NC1=CC(N2CCSCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013279272	1	43	0.0	-45.75	340.26	8.35	-37.40
CC(C)C[C@H](NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013279278	0	49	0.0	-45.49	373.28	6.23	-39.26
CC(C)C[C@H](NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013279278	1	49	0.0	-46.25	370.37	6.03	-40.22
COC1=CC2=NC(N[C@@H](CC(C)C)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013279290	0	46	0.0	-37.76	362.60	7.50	-30.26
CC(C)C[C@H](NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013279294	0	40	0.0	-42.65	332.46	9.02	-33.63
CC(C)C[C@H](NC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013279334	1	37	0.0	-41.69	315.46	8.60	-33.09
COC1=CC=CC2=C(N[C@@H](CC(C)C)C(=O)[O-])C=C(C)[NH+]=C12	REAL300013279358	1	44	0.0	-37.60	343.77	8.01	-29.59
CC(C)C[C@H](NC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013279370	0	49	0.0	-42.33	371.04	5.39	-36.94
CC(C)C[C@H](NC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013279370	1	49	0.0	-47.25	371.82	5.57	-41.68
CC(C)C[C@H](NC1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013279380	0	46	0.0	-51.08	358.60	6.92	-44.16
CC(C)C[C@H](NC1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013279380	1	46	0.0	-56.96	356.24	6.71	-50.25
CC(C)C[C@H](NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013279397	0	48	0.0	-45.33	384.56	10.87	-34.46
CC(C)C[C@H](NC1=[NH+]C(NCCO)=NC(NC(C)C)=N1)C(=O)[O-]	REAL300013279409	0	49	0.0	-28.66	388.29	8.71	-19.95
CC(C)C[C@H](NC1=NC(NCCO)=NC(NC(C)C)=[NH+]1)C(=O)[O-]	REAL300013279409	1	49	0.0	-30.43	386.86	8.71	-21.72
CC(C)C[C@H](NC1=NC(NCCO)=[NH+]C(NC(C)C)=N1)C(=O)[O-]	REAL300013279409	1	49	0.0	-45.63	387.36	8.73	-36.90
CCNC1=[NH+]C(N[C@@H](CC(C)C)C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013279416	0	51	0.0	-28.05	389.48	12.93	-15.12
CCNC1=NC(N[C@@H](CC(C)C)C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013279416	1	51	0.0	-27.75	386.82	12.60	-15.15
CCNC1=NC(N[C@@H](CC(C)C)C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013279416	1	51	0.0	-41.29	387.17	12.63	-28.66
CC(C)C[C@H](NC1=CC(N(C)C2=CC=CC=C2)=NC=[NH+]1)C(=O)[O-]	REAL300013279420	1	45	0.0	-42.86	360.94	11.60	-31.26
CC(C)C[C@H](NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12)C(=O)[O-]	REAL300013279433	1	37	0.0	-43.66	316.44	8.58	-35.08
CC(C)C[C@H](NC1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013279434	0	49	0.0	-45.01	370.97	6.52	-38.49
CC(C)C[C@H](NC1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013279434	1	49	0.0	-49.06	371.86	5.84	-43.22
CCCC1=CC2=C(N[C@@H](CC(C)C)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013279437	0	46	0.0	-42.67	358.31	10.24	-32.43
CC(C)C[C@H](NC1=CC=[NH+]C2=CC=C(OC(C)C)C=C12)C(=O)[O-]	REAL300013279439	0	47	0.0	-45.45	363.15	8.87	-36.58
CC(C)C[C@H](NC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013279522	1	54	0.0	-57.19	434.60	12.76	-44.43
CC(C)C[C@H](NC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013279523	1	37	0.0	-44.42	315.45	8.60	-35.82
CC(C)C[C@H](NC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013279528	1	37	0.0	-38.17	312.80	8.68	-29.49
CCOC1=CC2=[NH+]C=CC(N[C@@H](CC(C)C)C(=O)[O-])=C2C=C1OCC	REAL300013279535	0	51	0.0	-44.30	396.04	9.11	-35.19
COC1=CC2=[NH+]C=CC(N[C@@H](CC(C)C)C(=O)[O-])=C2C=C1Br	REAL300013279562	0	41	0.0	-44.63	343.95	7.96	-36.67
CC(C)C[C@H](NC1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)C(=O)[O-]	REAL300013279569	0	51	0.0	-35.93	379.14	10.56	-25.37
COC1=CC2=[NH+]C=CC(N[C@@H](CC(C)C)C(=O)[O-])=C2C=C1OC	REAL300013279577	0	45	0.0	-44.95	352.58	7.23	-37.72
CC(C)C[C@H](NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013279593	0	46	0.0	-37.44	364.10	10.88	-26.56
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N[C@@H](CC(C)C)C(=O)[O-])=N1	REAL300013279611	1	45	0.0	-39.53	358.02	9.98	-29.55
CC1=NC(NC2=CC=CC=C2)=CC(N[C@@H](CC(C)C)C(=O)[O-])=[NH+]1	REAL300013279611	1	45	0.0	-39.49	357.47	9.60	-29.89
CC1=[NH+]C=CC(N[C@@H](CC(C)C)C(=O)[O-])=C1Br	REAL300013279613	0	34	0.0	-44.84	288.07	6.98	-37.86
CC(C)C[C@H](NC1=[NH+]C=CC(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013279615	0	51	0.0	-35.49	379.61	12.27	-23.22
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@@H](CC(C)C)C(=O)[O-])=[NH+]1	REAL300013279618	0	48	0.0	-34.71	380.26	12.06	-22.65
CC(C)C[C@H](NC1=CC=[NH+]C(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013279621	0	51	0.0	-42.31	378.88	12.21	-30.10
CC(C)C[C@H](NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013279645	0	41	0.0	-42.49	340.10	7.79	-34.70
CC1=C(Cl)C2=[NH+]C=CC(N[C@@H](CC(C)C)C(=O)[O-])=C2C=C1	REAL300013279650	1	40	0.0	-37.79	326.96	9.17	-28.62
O=C([O-])C1=CC=C[NH+]=C1N1CC2=CC=CC(Br)=C2C1	REAL300013279652	0	30	0.0	-43.98	268.81	8.65	-35.33
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=CC=C(Cl)C=C2)CC1	REAL300013279658	0	39	0.0	-52.02	324.29	10.97	-41.05
CC(CC[NH+]1CCN(C)CC1)NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013279663	0	45	0.0	-68.20	362.02	6.93	-61.27
CC(CCN1CC[NH+](C)CC1)NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013279663	1	45	0.0	-68.58	362.42	7.03	-61.55
CC(CC[NH+]1CCN(C)CC1)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013279664	0	48	0.0	-98.03	375.21	7.27	-90.76
CC(CCN1CC[NH+](C)CC1)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013279664	1	48	0.0	-98.73	375.60	7.38	-91.35
CSC1CN(C2=CC=CC(C(=O)[O-])=N2)CC1[NH+]1CCCC1	REAL300013279665	0	42	0.0	-63.33	329.92	8.38	-54.95
CSC1CN(C2=NC=CC=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300013279666	0	42	0.0	-55.19	332.69	9.14	-46.05
CSC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1[NH+]1CCCC1	REAL300013279667	0	42	0.0	-58.08	351.23	8.88	-49.20
CSC1CN(C2=CC=CC(C(=O)[O-])=N2)CC1[NH+]1CCCC1	REAL300013279668	0	42	0.0	-63.33	329.92	8.38	-54.95
CSC1CN(C2=CC=CC(C(=O)[O-])=N2)CC1[NH+]1CCCC1	REAL300013279669	0	42	0.0	-63.33	329.92	8.38	-54.95
CSC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1[NH+]1CCCC1	REAL300013279670	0	45	0.0	-99.87	362.47	10.05	-89.82
O=C([O-])C1=CC=CC(NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)=N1	REAL300013279704	0	47	0.0	-76.62	380.30	10.97	-65.65
O=C([O-])C1=CC=CN=C1NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300013279705	0	47	0.0	-58.99	376.33	11.51	-47.48
O=C([O-])C1=CN=C(NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C(Cl)=C1	REAL300013279706	0	47	0.0	-69.96	395.80	11.85	-58.11
O=C([O-])C1=CC=CC(NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)=N1	REAL300013279707	0	47	0.0	-76.62	380.30	10.97	-65.65
O=C([O-])C1=CC=CC(NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)=N1	REAL300013279708	0	47	0.0	-76.62	380.30	10.97	-65.65
O=C([O-])C1=CC2=C(NCC3CC[NH+](CC4=CC=CC=C4Cl)CC3)N=CNC2=N1	REAL300013279709	0	50	0.0	-99.78	408.97	12.17	-87.61
CC1(C)CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013279710	0	47	0.0	-68.05	352.65	10.16	-57.89
CC1(C)CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013279710	1	47	0.0	-68.05	352.63	10.16	-57.89
CC1(C)CN(C2=NC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013279711	0	47	0.0	-51.00	351.48	10.99	-40.01
CC1(C)CN(C2=NC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013279711	1	47	0.0	-51.16	351.62	11.00	-40.16
CC1(C)CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@@H+]1CC1=CC=CC=C1	REAL300013279712	1	47	0.0	-60.45	371.20	10.74	-49.71
CC1(C)CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@H+]1CC1=CC=CC=C1	REAL300013279712	1	47	0.0	-60.91	370.76	10.86	-50.05
CC1(C)CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013279713	0	47	0.0	-68.05	352.65	10.16	-57.89
CC1(C)CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013279713	1	47	0.0	-68.05	352.63	10.16	-57.89
CC1(C)CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013279714	0	47	0.0	-68.05	352.65	10.16	-57.89
CC1(C)CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013279714	1	47	0.0	-68.05	352.63	10.16	-57.89
CC1(C)CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013279715	0	50	0.0	-95.57	377.77	11.89	-83.68
CC1(C)CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013279715	1	50	0.0	-96.66	377.82	11.89	-84.77
O=C([O-])C1=CN=C(NCC[NH+]2CCSCC2)C(Cl)=C1	REAL300013279720	1	35	0.0	-70.74	303.26	7.54	-63.20
O=C([O-])C1=CC2=C(NCC[NH+]3CCSCC3)N=CNC2=N1	REAL300013279721	0	38	0.0	-107.34	316.43	7.87	-99.47
CCS(=O)(=O)N(C)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013279725	0	43	0.0	-54.69	345.18	5.61	-49.08
CCN(C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1)S(C)(=O)=O	REAL300013279731	0	43	0.0	-53.88	338.82	5.42	-48.46
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013279742	0	44	0.0	-70.96	347.08	9.13	-61.83
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013279742	1	44	0.0	-72.02	333.76	10.01	-62.01
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013279743	1	44	0.0	-67.17	362.09	9.93	-57.24
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013279743	1	44	0.0	-67.65	353.08	10.45	-57.20
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013279744	0	44	0.0	-70.96	347.08	9.13	-61.83
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013279744	1	44	0.0	-72.02	333.76	10.01	-62.01
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013279745	0	44	0.0	-70.96	347.08	9.13	-61.83
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013279745	1	44	0.0	-72.02	333.76	10.01	-62.01
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013279746	0	47	0.0	-98.74	374.41	11.04	-87.70
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013279746	1	47	0.0	-100.90	361.85	11.58	-89.32
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(NS(=O)(=O)C2=CC=CC(F)=C2)C1	REAL300013279771	0	44	0.0	-53.96	370.91	6.27	-47.69
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013279785	0	47	0.0	-84.86	365.87	11.69	-73.17
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013279785	1	47	0.0	-85.88	364.87	11.62	-74.26
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NC=CC=C1C(=O)[O-]	REAL300013279786	0	47	0.0	-60.65	368.12	11.30	-49.35
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NC=CC=C1C(=O)[O-]	REAL300013279786	1	47	0.0	-58.17	367.02	11.26	-46.91
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013279787	0	47	0.0	-66.11	385.14	10.93	-55.18
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013279787	1	47	0.0	-62.90	383.13	11.22	-51.68
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013279788	0	47	0.0	-84.86	365.87	11.69	-73.17
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013279788	1	47	0.0	-85.88	364.87	11.62	-74.26
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013279789	0	47	0.0	-84.86	365.87	11.69	-73.17
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013279789	1	47	0.0	-85.88	364.87	11.62	-74.26
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013279790	0	50	0.0	-109.91	387.15	13.03	-96.88
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013279790	1	50	0.0	-108.54	391.53	12.34	-96.20
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300013279798	0	42	0.0	-57.98	344.97	10.10	-47.88
O=C([O-])C1=CN=C(NCCCCC[NH+]2CCCCC2)C(Cl)=C1	REAL300013279825	0	46	0.0	-67.76	368.40	10.10	-57.66
O=C([O-])C1=CC2=C(NCCCCC[NH+]3CCCCC3)N=CNC2=N1	REAL300013279826	0	49	0.0	-100.11	382.03	10.46	-89.65
CC(C[NH+]1CC(C)CC(C)C1)NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013279827	0	46	0.0	-65.41	364.71	10.08	-55.33
CC(C[NH+]1CC(C)CC(C)C1)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013279828	0	49	0.0	-98.29	377.99	10.46	-87.83
CC[NH+](CC)CCOCCN(CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013279867	0	56	0.0	-80.55	430.77	12.57	-67.98
CC[NH+](CC)CCOCCN(CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013279868	0	56	0.0	-80.55	430.77	12.57	-67.98
CC[NH+](CC)CCOCCN(CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013279869	0	56	0.0	-80.55	430.77	12.57	-67.98
CC(CN(C)C1=[NH+]C=CC=C1C(=O)[O-])OC1=CC=C(Cl)C(Cl)=C1	REAL300013279879	0	39	0.0	-50.18	345.33	10.17	-40.01
CCC(CN(C)C1=[NH+]C=CC=C1C(=O)[O-])OC1=CC=C(Cl)C(Cl)=C1	REAL300013279885	0	42	0.0	-51.88	361.05	10.56	-41.32
O=C([O-])C1=CC=CC(N2CC[NH+](C3C4=CC=CC=C4C4=CC=CC=C43)CC2)=N1	REAL300013279888	0	49	0.0	-64.27	379.91	11.94	-52.33
O=C([O-])C1=CC=CN=C1N1CC[NH+](C2C3=CC=CC=C3C3=CC=CC=C32)CC1	REAL300013279889	0	49	0.0	-54.92	380.30	12.80	-42.12
O=C([O-])C1=CC=CC(N2CC[NH+](C3C4=CC=CC=C4C4=CC=CC=C43)CC2)=N1	REAL300013279890	0	49	0.0	-64.27	379.91	11.94	-52.33
O=C([O-])C1=CC=CC(N2CC[NH+](C3C4=CC=CC=C4C4=CC=CC=C43)CC2)=N1	REAL300013279891	0	49	0.0	-64.27	379.91	11.94	-52.33
CC(C)C[C@@H](NC1=CC(N2CCSCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013279901	0	43	0.0	-41.66	341.25	8.80	-32.86
CC(C)C[C@@H](NC1=CC(N2CCSCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013279901	1	43	0.0	-45.38	339.97	8.39	-36.99
CC(C)C[C@@H](NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013279907	0	49	0.0	-43.09	373.53	6.19	-36.90
CC(C)C[C@@H](NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013279907	1	49	0.0	-47.06	371.18	6.02	-41.04
COC1=CC2=NC(N[C@H](CC(C)C)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013279919	0	46	0.0	-37.77	362.36	7.54	-30.23
CC(C)C[C@@H](NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013279923	0	40	0.0	-42.61	332.49	9.04	-33.57
CC(C)C[C@@H](NC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013279963	1	37	0.0	-41.42	315.18	8.63	-32.79
COC1=CC=CC2=C(N[C@H](CC(C)C)C(=O)[O-])C=C(C)[NH+]=C12	REAL300013279987	1	44	0.0	-37.35	343.60	8.04	-29.31
CC(C)C[C@@H](NC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013279999	0	49	0.0	-41.34	371.56	5.42	-35.92
CC(C)C[C@@H](NC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013279999	1	49	0.0	-47.77	372.58	5.56	-42.21
CC(C)C[C@@H](NC1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013280009	0	46	0.0	-51.01	358.54	6.90	-44.11
CC(C)C[C@@H](NC1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013280009	1	46	0.0	-43.87	351.63	6.10	-37.77
CC(C)C[C@@H](NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013280026	0	48	0.0	-45.50	383.06	10.86	-34.64
CC(C)C[C@@H](NC1=[NH+]C(NCCO)=NC(NC(C)C)=N1)C(=O)[O-]	REAL300013280038	0	49	0.0	-30.83	388.34	8.73	-22.10
CC(C)C[C@@H](NC1=NC(NCCO)=NC(NC(C)C)=[NH+]1)C(=O)[O-]	REAL300013280038	1	49	0.0	-28.92	387.64	8.70	-20.22
CC(C)C[C@@H](NC1=NC(NCCO)=[NH+]C(NC(C)C)=N1)C(=O)[O-]	REAL300013280038	1	49	0.0	-44.95	388.09	8.71	-36.24
CCNC1=[NH+]C(N[C@H](CC(C)C)C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013280045	0	51	0.0	-28.01	389.53	12.96	-15.05
CCNC1=NC(N[C@H](CC(C)C)C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013280045	1	51	0.0	-27.43	386.70	12.61	-14.82
CCNC1=NC(N[C@H](CC(C)C)C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013280045	1	51	0.0	-43.09	391.59	13.09	-30.00
CC(C)C[C@@H](NC1=CC(N(C)C2=CC=CC=C2)=NC=[NH+]1)C(=O)[O-]	REAL300013280049	1	45	0.0	-43.24	359.13	10.72	-32.52
CC(C)C[C@@H](NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12)C(=O)[O-]	REAL300013280062	1	37	0.0	-43.72	316.49	8.60	-35.12
CC(C)C[C@@H](NC1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013280063	0	49	0.0	-43.23	370.96	6.27	-36.96
CC(C)C[C@@H](NC1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013280063	1	49	0.0	-48.84	371.87	5.85	-42.99
CCCC1=CC2=C(N[C@H](CC(C)C)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013280066	0	46	0.0	-43.00	358.51	10.17	-32.83
CC(C)C[C@@H](NC1=CC=[NH+]C2=CC=C(OC(C)C)C=C12)C(=O)[O-]	REAL300013280068	0	47	0.0	-45.45	363.60	8.92	-36.53
CC(C)C[C@@H](NC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013280151	1	54	0.0	-55.35	427.06	12.44	-42.91
CC(C)C[C@@H](NC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013280152	1	37	0.0	-44.41	315.44	8.60	-35.81
CC(C)C[C@@H](NC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013280157	1	37	0.0	-37.88	312.57	8.74	-29.14
CCOC1=CC2=[NH+]C=CC(N[C@H](CC(C)C)C(=O)[O-])=C2C=C1OCC	REAL300013280164	0	51	0.0	-44.32	396.07	9.13	-35.19
COC1=CC2=[NH+]C=CC(N[C@H](CC(C)C)C(=O)[O-])=C2C=C1Br	REAL300013280191	0	41	0.0	-44.29	343.67	7.99	-36.30
CC(C)C[C@@H](NC1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)C(=O)[O-]	REAL300013280198	0	51	0.0	-36.44	379.93	10.59	-25.85
COC1=CC2=[NH+]C=CC(N[C@H](CC(C)C)C(=O)[O-])=C2C=C1OC	REAL300013280206	0	45	0.0	-44.96	352.61	7.24	-37.72
CC(C)C[C@@H](NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013280222	0	46	0.0	-36.17	363.91	10.88	-25.29
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N[C@H](CC(C)C)C(=O)[O-])=N1	REAL300013280240	1	45	0.0	-38.69	357.80	10.02	-28.67
CC1=NC(NC2=CC=CC=C2)=CC(N[C@H](CC(C)C)C(=O)[O-])=[NH+]1	REAL300013280240	1	45	0.0	-38.89	359.36	10.46	-28.43
CC1=[NH+]C=CC(N[C@H](CC(C)C)C(=O)[O-])=C1Br	REAL300013280242	0	34	0.0	-44.51	287.88	7.00	-37.51
CC(C)C[C@@H](NC1=[NH+]C=CC(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013280244	0	51	0.0	-35.39	379.70	12.25	-23.14
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@H](CC(C)C)C(=O)[O-])=[NH+]1	REAL300013280247	0	48	0.0	-31.22	382.33	12.94	-18.28
CC(C)C[C@@H](NC1=CC=[NH+]C(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013280250	0	51	0.0	-42.88	379.67	12.23	-30.65
CC(C)C[C@@H](NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013280274	0	41	0.0	-42.20	339.81	7.82	-34.38
CC1=C(Cl)C2=[NH+]C=CC(N[C@H](CC(C)C)C(=O)[O-])=C2C=C1	REAL300013280279	1	40	0.0	-38.02	327.24	9.15	-28.87
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300013280293	0	39	0.0	-49.77	324.23	10.97	-38.80
CC(C)OCC[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013280320	0	47	0.0	-98.43	365.41	8.95	-89.48
O=C([O-])C1=CC=CC(N2CC[N@H+](CC3=CC=CC=C3)C3(CCCCC3)C2)=N1	REAL300013280321	0	54	0.0	-71.48	387.24	11.72	-59.76
O=C([O-])C1=CC=CC(N2CC[N@@H+](CC3=CC=CC=C3)C3(CCCCC3)C2)=N1	REAL300013280321	1	54	0.0	-71.50	387.22	11.72	-59.78
O=C([O-])C1=CC=CN=C1N1CC[N@H+](CC2=CC=CC=C2)C2(CCCCC2)C1	REAL300013280322	0	54	0.0	-53.60	386.36	12.55	-41.05
O=C([O-])C1=CC=CN=C1N1CC[N@@H+](CC2=CC=CC=C2)C2(CCCCC2)C1	REAL300013280322	1	54	0.0	-52.82	385.85	12.51	-40.31
O=C([O-])C1=CN=C(N2CC[N@H+](CC3=CC=CC=C3)C3(CCCCC3)C2)C(Cl)=C1	REAL300013280323	0	54	0.0	-62.39	405.41	12.41	-49.98
O=C([O-])C1=CN=C(N2CC[N@@H+](CC3=CC=CC=C3)C3(CCCCC3)C2)C(Cl)=C1	REAL300013280323	1	54	0.0	-62.21	402.47	12.32	-49.89
O=C([O-])C1=CC=CC(N2CC[N@H+](CC3=CC=CC=C3)C3(CCCCC3)C2)=N1	REAL300013280324	0	54	0.0	-71.48	387.24	11.72	-59.76
O=C([O-])C1=CC=CC(N2CC[N@@H+](CC3=CC=CC=C3)C3(CCCCC3)C2)=N1	REAL300013280324	1	54	0.0	-71.50	387.22	11.72	-59.78
O=C([O-])C1=CC=CC(N2CC[N@H+](CC3=CC=CC=C3)C3(CCCCC3)C2)=N1	REAL300013280325	0	54	0.0	-71.48	387.24	11.72	-59.76
O=C([O-])C1=CC=CC(N2CC[N@@H+](CC3=CC=CC=C3)C3(CCCCC3)C2)=N1	REAL300013280325	1	54	0.0	-71.50	387.22	11.72	-59.78
CC[NH+](CC)C1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013280327	0	43	0.0	-102.90	324.80	8.89	-94.01
O=C([O-])C1=CC=CC(NC2CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013280328	0	44	0.0	-78.34	341.45	10.17	-68.17
O=C([O-])C1=CC=CC(NC2CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013280328	1	44	0.0	-78.36	341.49	10.17	-68.19
O=C([O-])C1=CC=CN=C1NC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013280329	0	44	0.0	-56.16	342.78	10.41	-45.75
O=C([O-])C1=CC=CN=C1NC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013280329	1	44	0.0	-55.55	342.85	10.39	-45.16
O=C([O-])C1=CN=C(NC2CCC[N@H+](CC3=CC=CC=C3)C2)C(Cl)=C1	REAL300013280330	0	44	0.0	-70.86	358.30	11.16	-59.70
O=C([O-])C1=CN=C(NC2CCC[N@@H+](CC3=CC=CC=C3)C2)C(Cl)=C1	REAL300013280330	1	44	0.0	-70.05	362.28	10.72	-59.33
O=C([O-])C1=CC=CC(NC2CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013280331	0	44	0.0	-78.34	341.45	10.17	-68.17
O=C([O-])C1=CC=CC(NC2CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013280331	1	44	0.0	-78.36	341.49	10.17	-68.19
O=C([O-])C1=CC=CC(NC2CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013280332	0	44	0.0	-78.34	341.45	10.17	-68.17
O=C([O-])C1=CC=CC(NC2CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013280332	1	44	0.0	-78.36	341.49	10.17	-68.19
O=C([O-])C1=CC2=C(NC3CCC[N@H+](CC4=CC=CC=C4)C3)N=CNC2=N1	REAL300013280333	0	47	0.0	-103.68	375.54	11.04	-92.64
O=C([O-])C1=CC2=C(NC3CCC[N@@H+](CC4=CC=CC=C4)C3)N=CNC2=N1	REAL300013280333	1	47	0.0	-103.73	375.47	11.04	-92.69
CC[NH+](CC)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300013280409	0	49	0.0	-72.86	381.94	10.43	-62.43
CC[NH+](CC)C(CNC1=NC=CC=C1C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300013280410	0	49	0.0	-46.06	375.37	11.33	-34.73
CC[NH+](CC)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300013280411	0	49	0.0	-72.86	381.94	10.43	-62.43
CC(C)C1=CC=C(S(=O)(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013280419	0	50	0.0	-54.68	403.47	8.54	-46.14
CN(CC1=CC=CC=C1Br)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013280425	0	32	0.0	-49.05	277.73	9.16	-39.89
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300013280433	0	40	0.0	-47.32	328.48	9.85	-37.47
CC[C@H](C)[C@H](NC1=CC(N2CCSCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013280449	0	43	0.0	-43.02	332.14	8.48	-34.54
CC[C@H](C)[C@H](NC1=CC(N2CCSCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013280449	1	43	0.0	-45.94	332.79	8.08	-37.86
CC[C@H](C)[C@H](NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013280455	0	49	0.0	-45.01	364.47	5.89	-39.12
CC[C@H](C)[C@H](NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013280455	1	49	0.0	-48.83	362.09	5.74	-43.09
CC[C@H](C)[C@H](NC1=NC2=CC(OC)=C(OC)C=C2C(N)=[NH+]1)C(=O)[O-]	REAL300013280467	0	46	0.0	-38.16	355.14	7.23	-30.93
CC[C@H](C)[C@H](NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013280471	0	40	0.0	-43.19	325.25	8.71	-34.48
CC[C@H](C)[C@H](NC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013280511	1	37	0.0	-41.92	307.97	8.32	-33.60
CC[C@H](C)[C@H](NC1=CC(C)=[NH+]C2=C(OC)C=CC=C12)C(=O)[O-]	REAL300013280535	1	44	0.0	-37.10	334.83	7.70	-29.40
CC[C@H](C)[C@H](NC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013280547	0	49	0.0	-43.21	364.34	5.08	-38.13
CC[C@H](C)[C@H](NC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013280547	1	49	0.0	-47.74	364.39	5.30	-42.44
CC[C@H](C)[C@H](NC1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013280557	0	46	0.0	-51.43	351.10	6.62	-44.81
CC[C@H](C)[C@H](NC1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013280557	1	46	0.0	-40.13	344.09	5.81	-34.32
CC[C@H](C)[C@H](NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013280574	0	48	0.0	-44.20	375.48	10.61	-33.59
CC[C@H](C)[C@H](NC1=[NH+]C(NCCO)=NC(NC(C)C)=N1)C(=O)[O-]	REAL300013280586	0	49	0.0	-29.09	380.84	8.43	-20.66
CC[C@H](C)[C@H](NC1=NC(NCCO)=NC(NC(C)C)=[NH+]1)C(=O)[O-]	REAL300013280586	1	49	0.0	-30.32	379.45	8.44	-21.88
CC[C@H](C)[C@H](NC1=NC(NCCO)=[NH+]C(NC(C)C)=N1)C(=O)[O-]	REAL300013280586	1	49	0.0	-45.38	378.97	8.39	-36.99
CCNC1=[NH+]C(N[C@H](C(=O)[O-])[C@@H](C)CC)=NC(NC(C)(C)C)=N1	REAL300013280593	0	51	0.0	-28.60	381.29	12.68	-15.92
CCNC1=NC(N[C@H](C(=O)[O-])[C@@H](C)CC)=[NH+]C(NC(C)(C)C)=N1	REAL300013280593	1	51	0.0	-28.12	379.34	12.34	-15.78
CCNC1=NC(N[C@H](C(=O)[O-])[C@@H](C)CC)=NC(NC(C)(C)C)=[NH+]1	REAL300013280593	1	51	0.0	-42.59	382.90	12.72	-29.87
CC[C@H](C)[C@H](NC1=CC(N(C)C2=CC=CC=C2)=NC=[NH+]1)C(=O)[O-]	REAL300013280597	1	45	0.0	-45.71	351.90	10.40	-35.31
CC[C@H](C)[C@H](NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12)C(=O)[O-]	REAL300013280610	1	37	0.0	-42.96	307.60	8.27	-34.69
CC[C@H](C)[C@H](NC1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013280611	0	49	0.0	-40.33	362.13	5.93	-34.40
CC[C@H](C)[C@H](NC1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013280611	1	49	0.0	-48.61	363.68	5.59	-43.02
CCCC1=CC2=C(N[C@H](C(=O)[O-])[C@@H](C)CC)C=C[NH+]=C2C=C1	REAL300013280614	0	46	0.0	-43.00	351.05	9.91	-33.09
CC[C@H](C)[C@H](NC1=CC=[NH+]C2=CC=C(OC(C)C)C=C12)C(=O)[O-]	REAL300013280616	0	47	0.0	-44.54	354.33	8.56	-35.98
CC[C@H](C)[C@H](NC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013280699	1	54	0.0	-57.70	422.79	12.47	-45.23
CC[C@H](C)[C@H](NC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013280700	1	37	0.0	-43.34	306.36	8.33	-35.01
CC[C@H](C)[C@H](NC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013280705	1	37	0.0	-38.53	305.33	8.41	-30.12
CCOC1=CC2=[NH+]C=CC(N[C@H](C(=O)[O-])[C@@H](C)CC)=C2C=C1OCC	REAL300013280712	0	51	0.0	-44.88	388.81	8.80	-36.08
CC[C@H](C)[C@H](NC1=CC=[NH+]C2=CC(OC)=C(Br)C=C12)C(=O)[O-]	REAL300013280739	0	41	0.0	-44.79	336.45	7.68	-37.11
CC[C@H](C)[C@H](NC1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)C(=O)[O-]	REAL300013280746	0	51	0.0	-36.81	372.47	10.30	-26.51
CC[C@H](C)[C@H](NC1=CC=[NH+]C2=CC(OC)=C(OC)C=C12)C(=O)[O-]	REAL300013280754	0	45	0.0	-45.22	345.10	6.96	-38.26
CC[C@H](C)[C@H](NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013280770	0	46	0.0	-37.15	355.10	10.51	-26.64
CC[C@H](C)[C@H](NC1=CC(NC2=CC=CC=C2)=[NH+]C(C)=N1)C(=O)[O-]	REAL300013280788	1	45	0.0	-38.76	349.84	9.72	-29.04
CC[C@H](C)[C@H](NC1=CC(NC2=CC=CC=C2)=NC(C)=[NH+]1)C(=O)[O-]	REAL300013280788	1	45	0.0	-38.97	352.14	10.14	-28.83
CC[C@H](C)[C@H](NC1=CC=[NH+]C(C)=C1Br)C(=O)[O-]	REAL300013280790	0	34	0.0	-43.66	279.06	6.68	-36.98
CC[C@H](C)[C@H](NC1=[NH+]C=CC(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013280792	0	51	0.0	-35.91	372.18	11.98	-23.93
CC[C@H](C)[C@H](NC1=[NH+]C(C)=CC(N(C)C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300013280795	0	48	0.0	-33.24	371.95	11.72	-21.52
CC[C@H](C)[C@H](NC1=CC=[NH+]C(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013280798	0	51	0.0	-43.19	372.17	11.94	-31.25
CC[C@H](C)[C@H](NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013280822	0	41	0.0	-42.21	331.88	7.52	-34.69
CC[C@H](C)[C@H](NC1=CC=[NH+]C2=C(Cl)C(C)=CC=C12)C(=O)[O-]	REAL300013280827	1	40	0.0	-37.37	318.12	8.86	-28.51
CC1=[NH+]C2=CC=C(F)C=C2C(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300013280835	0	41	0.0	-41.95	341.36	10.38	-31.57
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013280840	0	44	0.0	-41.28	360.83	10.50	-30.78
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013280840	1	44	0.0	-44.77	359.67	10.12	-34.65
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC(NCC2CC2)=NC=[NH+]1	REAL300013280850	0	43	0.0	-40.14	353.59	10.26	-29.88
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC(NCC2CC2)=[NH+]C=N1	REAL300013280850	1	43	0.0	-45.47	353.82	10.22	-35.25
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC(N2CCCC2)=NC=[NH+]1	REAL300013280860	0	43	0.0	-42.25	344.46	9.90	-32.35
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC(N2CCCC2)=[NH+]C=N1	REAL300013280860	1	43	0.0	-44.52	344.13	9.52	-35.00
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC(N2CCCCC2)=NC=[NH+]1	REAL300013280861	0	46	0.0	-39.97	361.42	10.67	-29.30
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC(N2CCCCC2)=[NH+]C=N1	REAL300013280861	1	46	0.0	-43.28	359.04	10.51	-32.77
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013280862	0	50	0.0	-42.83	393.16	7.90	-34.93
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013280862	1	50	0.0	-46.77	390.91	7.73	-39.04
COC1=CC2=NC(N[C@H](CC3=CC=CC=C3)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013280880	0	47	0.0	-37.13	382.03	9.26	-27.87
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12	REAL300013280887	0	41	0.0	-42.35	352.35	10.70	-31.65
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC=C(Cl)C=C12	REAL300013280898	1	38	0.0	-44.01	330.53	10.21	-33.80
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC(N2CCOCC2)=NC=[NH+]1	REAL300013280906	0	44	0.0	-40.92	352.35	8.20	-32.72
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC(N2CCOCC2)=[NH+]C=N1	REAL300013280906	1	44	0.0	-45.68	350.09	8.06	-37.62
CC1=CC2=[NH+]C(N[C@H](CC3=CC=CC=C3)C(=O)[O-])=CC(C)=C2C=C1	REAL300013280929	1	44	0.0	-34.63	355.64	11.64	-22.99
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC(Cl)=CC=C12	REAL300013280946	1	38	0.0	-40.92	330.31	10.24	-30.68
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013280956	1	38	0.0	-40.83	334.86	10.35	-30.48
NC1=[NH+]C(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=CC(N2C=CC=N2)=N1	REAL300013280989	1	40	0.0	-44.92	341.30	9.87	-35.05
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=[NH+]C=CC(N2CCOCC2)=N1	REAL300013280991	0	44	0.0	-36.10	352.79	8.97	-27.13
COC1=CC=CC2=C(N[C@H](CC3=CC=CC=C3)C(=O)[O-])C=C(C)[NH+]=C12	REAL300013280994	1	45	0.0	-37.42	363.45	9.68	-27.74
CC(C)C1=[NH+]C(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=NC(N(C)C)=N1	REAL300013281014	1	47	0.0	-28.94	377.75	14.13	-14.81
CC(C)C1=NC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013281014	1	47	0.0	-43.95	378.46	13.99	-29.96
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC=[NH+]C(N2CCCCC2)=N1	REAL300013281021	0	46	0.0	-40.05	361.24	11.05	-29.00
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013281032	0	50	0.0	-40.78	391.21	7.11	-33.67
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013281032	1	50	0.0	-46.58	392.01	7.32	-39.26
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC=[NH+]C=C1Br	REAL300013281047	1	32	0.0	-46.70	289.60	8.18	-38.52
CN1CCN(C2=CC(N[C@H](CC3=CC=CC=C3)C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013281048	0	47	0.0	-49.92	377.96	8.65	-41.27
CN1CCN(C2=CC(N[C@H](CC3=CC=CC=C3)C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013281048	1	47	0.0	-42.50	371.03	7.84	-34.66
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013281068	0	49	0.0	-44.22	404.03	12.64	-31.58
CCCCNC1=CC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]C(N)=N1	REAL300013281079	0	47	0.0	-36.75	380.07	9.63	-27.12
CCCCNC1=CC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=NC(N)=[NH+]1	REAL300013281079	1	47	0.0	-42.21	380.32	9.58	-32.63
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC=[NH+]C=C1Br	REAL300013281084	1	32	0.0	-46.70	289.60	8.18	-38.52
CC(C)NC1=NC(NCCO)=[NH+]C(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013281089	0	50	0.0	-30.29	407.72	10.48	-19.81
CC(C)NC1=NC(NCCO)=NC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]1	REAL300013281089	1	50	0.0	-28.55	407.06	10.47	-18.08
CC(C)NC1=[NH+]C(NCCO)=NC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013281089	1	50	0.0	-44.80	407.88	10.43	-34.37
CCNC1=[NH+]C(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013281101	0	52	0.0	-27.53	408.90	14.71	-12.82
CCNC1=NC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013281101	1	52	0.0	-27.37	406.13	14.39	-12.98
CCNC1=NC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013281101	1	52	0.0	-41.65	407.18	14.43	-27.22
CN(C1=CC=CC=C1)C1=CC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]C=N1	REAL300013281115	1	46	0.0	-42.73	378.86	12.44	-30.29
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12	REAL300013281133	1	38	0.0	-43.16	336.32	10.26	-32.90
CC(O)C1CCN(C2=CC(N[C@H](CC3=CC=CC=C3)C(=O)[O-])=[NH+]C=N2)C1	REAL300013281134	0	50	0.0	-41.25	390.37	8.27	-32.98
CC(O)C1CCN(C2=CC(N[C@H](CC3=CC=CC=C3)C(=O)[O-])=NC=[NH+]2)C1	REAL300013281134	1	50	0.0	-45.92	391.32	7.59	-38.33
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2	REAL300013281137	1	41	0.0	-33.63	339.94	11.72	-21.91
CCCC1=CC2=C(N[C@H](CC3=CC=CC=C3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013281139	0	47	0.0	-42.44	378.17	11.89	-30.55
CCC1=CC2=C(N[C@H](CC3=CC=CC=C3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013281140	0	44	0.0	-42.41	356.67	11.12	-31.29
CC(C)OC1=CC2=C(N[C@H](CC3=CC=CC=C3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013281144	0	48	0.0	-45.31	383.03	10.54	-34.77
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013281242	1	38	0.0	-43.77	335.09	10.31	-33.46
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013281247	1	38	0.0	-37.88	332.51	10.39	-27.49
CCOC1=CC2=[NH+]C=CC(N[C@H](CC3=CC=CC=C3)C(=O)[O-])=C2C=C1OCC	REAL300013281259	0	52	0.0	-43.79	415.68	10.83	-32.96
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=[NH+]C=CC(N2CCCC2)=N1	REAL300013281269	0	43	0.0	-34.73	344.82	10.67	-24.06
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC(F)=CC=C12	REAL300013281286	0	38	0.0	-41.21	320.01	9.81	-31.40
CC1(C)CCCN(C2=CC=[NH+]C(N[C@H](CC3=CC=CC=C3)C(=O)[O-])=N2)C1	REAL300013281305	0	52	0.0	-35.49	399.66	12.30	-23.19
CC1=CC(C(F)(F)F)=CC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]1	REAL300013281311	1	38	0.0	-42.17	331.13	9.92	-32.25
COC1=CC2=[NH+]C=CC(N[C@H](CC3=CC=CC=C3)C(=O)[O-])=C2C=C1OC	REAL300013281316	0	46	0.0	-44.46	372.30	8.93	-35.53
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013281343	0	47	0.0	-35.50	383.88	12.56	-22.94
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013281374	1	46	0.0	-38.61	377.77	11.68	-26.93
CC1=NC(NC2=CC=CC=C2)=CC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]1	REAL300013281374	1	46	0.0	-38.49	379.08	12.18	-26.31
CC1=[NH+]C=CC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1Br	REAL300013281377	0	35	0.0	-44.05	307.60	8.72	-35.33
CN(C1=CC=[NH+]C(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=N1)C1CCCCC1	REAL300013281379	0	52	0.0	-34.64	399.30	13.97	-20.67
CC1=CC(N(C)C(C)C)=NC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]1	REAL300013281380	0	48	0.0	-32.18	379.23	12.59	-19.59
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=[NH+]C=CC(N2C=CN=C2)=N1	REAL300013281381	1	38	0.0	-40.78	323.84	12.49	-28.29
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]1	REAL300013281384	0	49	0.0	-34.16	400.69	13.78	-20.38
CC1=CC(N2C=CC=N2)=NC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]1	REAL300013281385	1	41	0.0	-32.18	348.12	11.83	-20.35
CC1=CC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=NC(N(C)C(C)C)=[NH+]1	REAL300013281388	0	48	0.0	-39.83	379.19	12.63	-27.20
CN(C1=[NH+]C=CC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=N1)C1CCCCC1	REAL300013281391	0	52	0.0	-41.97	399.03	13.96	-28.01
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=C2C=CNC2=NC(C2CC2)=[NH+]1	REAL300013281422	1	42	0.0	-31.86	346.92	11.06	-20.80
O=C([O-])[C@@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013281423	0	42	0.0	-41.55	359.50	9.54	-32.01
CN(C)C1=CC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]C(N(C)C)=N1	REAL300013281429	0	47	0.0	-35.85	374.33	12.26	-23.59
CN(C)C1=CC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013281429	1	47	0.0	-40.81	373.04	12.03	-28.78
CC1=C(Cl)C2=[NH+]C=CC(N[C@H](CC3=CC=CC=C3)C(=O)[O-])=C2C=C1	REAL300013281435	1	41	0.0	-37.33	346.60	10.89	-26.44
CC1=CC=NC(OC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1	REAL300013281438	0	42	0.0	-53.28	337.94	7.84	-45.44
CCCN(CC[NH+](CC)CC)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013281450	0	45	0.0	-63.55	345.76	8.55	-55.00
CCCN(CC[NH+](CC)CC)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013281451	0	48	0.0	-92.17	378.39	10.80	-81.37
O=C([O-])C1=CC=C[NH+]=C1N1CCC(O)(C2=CC=CC=C2Cl)CC1	REAL300013281464	0	40	0.0	-48.84	321.04	7.67	-41.17
O=C([O-])C1=CC=C[NH+]=C1N1CCS(=O)(=O)C2=CC=CC=C2C1	REAL300013281484	1	36	0.0	-52.46	299.28	6.07	-46.39
CC1=NC2=CC=CC=C2N1C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013281492	0	45	0.0	-60.09	350.39	10.89	-49.20
CC1(C2=CC=C(Cl)C=C2)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013281500	0	42	0.0	-51.71	333.90	11.12	-40.59
O=C([O-])C1=CC=CC(N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=N1	REAL300013281512	0	45	0.0	-73.28	352.88	9.86	-63.42
O=C([O-])C1=CC=CC(N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=N1	REAL300013281512	1	45	0.0	-69.03	351.67	9.86	-59.17
O=C([O-])C1=CC=CN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300013281513	0	45	0.0	-70.16	350.30	10.80	-59.36
O=C([O-])C1=CC=CN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300013281513	1	45	0.0	-69.74	349.07	10.81	-58.93
O=C([O-])C1=CN=C(N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C(Cl)=C1	REAL300013281514	0	45	0.0	-69.57	363.57	10.37	-59.20
O=C([O-])C1=CN=C(N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C(Cl)=C1	REAL300013281514	1	45	0.0	-68.45	362.13	10.35	-58.10
O=C([O-])C1=CC=CC(N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=N1	REAL300013281515	0	45	0.0	-73.28	352.88	9.86	-63.42
O=C([O-])C1=CC=CC(N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=N1	REAL300013281515	1	45	0.0	-69.03	351.67	9.86	-59.17
O=C([O-])C1=CC=CC(N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=N1	REAL300013281516	0	45	0.0	-73.28	352.88	9.86	-63.42
O=C([O-])C1=CC=CC(N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=N1	REAL300013281516	1	45	0.0	-69.03	351.67	9.86	-59.17
O=C([O-])C1=CC2=C(N3C[C@@H]4C[N@@H+](CC5=CC=CC=C5)C[C@@H]4C3)N=CNC2=N1	REAL300013281517	0	48	0.0	-99.14	374.10	11.79	-87.35
O=C([O-])C1=CC2=C(N3C[C@@H]4C[N@H+](CC5=CC=CC=C5)C[C@@H]4C3)N=CNC2=N1	REAL300013281517	1	48	0.0	-100.86	375.65	11.73	-89.13
CN1C=CN=C1C(O)C1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013281520	0	43	0.0	-51.77	334.90	6.68	-45.09
O=C([O-])C1=CC=CC(N2CCC(OCC[NH+]3CCCC3)CC2)=N1	REAL300013281546	0	48	0.0	-75.23	363.50	8.60	-66.63
O=C([O-])C1=CC=CN=C1N1CCC(OCC[NH+]2CCCC2)CC1	REAL300013281547	1	48	0.0	-67.78	364.30	9.41	-58.37
O=C([O-])C1=CN=C(N2CCC(OCC[NH+]3CCCC3)CC2)C(Cl)=C1	REAL300013281548	0	48	0.0	-64.31	382.44	9.11	-55.20
O=C([O-])C1=CC=CC(N2CCC(OCC[NH+]3CCCC3)CC2)=N1	REAL300013281549	0	48	0.0	-75.23	363.50	8.60	-66.63
O=C([O-])C1=CC=CC(N2CCC(OCC[NH+]3CCCC3)CC2)=N1	REAL300013281550	0	48	0.0	-75.23	363.50	8.60	-66.63
O=C([O-])C1=CC2=C(N3CCC(OCC[NH+]4CCCC4)CC3)N=CNC2=N1	REAL300013281551	0	51	0.0	-99.11	388.89	10.36	-88.75
CC1=[NH+]C2=CC=C(F)C=C2C(NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013281577	0	38	0.0	-69.59	322.61	9.22	-60.37
O=C([O-])C1=CC=C(CNC2=CC(N3CCSCC3)=NC=[NH+]2)C=C1	REAL300013281583	0	41	0.0	-72.62	342.01	9.39	-63.23
O=C([O-])C1=CC=C(CNC2=CC(N3CCSCC3)=[NH+]C=N2)C=C1	REAL300013281583	1	41	0.0	-73.29	341.01	8.96	-64.33
O=C([O-])C1=CC=C(CNC2=CC(N3CCCCC3)=NC=[NH+]2)C=C1	REAL300013281600	0	43	0.0	-68.81	342.66	9.50	-59.31
O=C([O-])C1=CC=C(CNC2=CC(N3CCCCC3)=[NH+]C=N2)C=C1	REAL300013281600	1	43	0.0	-69.21	340.24	9.34	-59.87
O=C([O-])C1=CC=C(CNC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C=C1	REAL300013281601	0	47	0.0	-71.87	374.27	6.79	-65.08
O=C([O-])C1=CC=C(CNC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C=C1	REAL300013281601	1	47	0.0	-73.02	371.95	6.63	-66.39
CCCC1=[NH+]C2=CC=CC=C2C(NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013281602	0	44	0.0	-64.01	359.13	10.67	-53.34
COC1=CC2=NC(NCC3=CC=C(C(=O)[O-])C=C3)=[NH+]C(N)=C2C=C1OC	REAL300013281631	0	44	0.0	-75.69	363.20	8.04	-67.65
O=C([O-])C1=CC=C(CNC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)C=C1	REAL300013281640	0	38	0.0	-73.79	333.43	9.59	-64.20
O=C([O-])C1=CC=C(CNC2=CC=[NH+]C3=CC=C(Cl)C=C23)C=C1	REAL300013281649	1	35	0.0	-73.24	311.61	9.10	-64.14
O=C([O-])C1=CC=C(CNC2=CC(N3CCOCC3)=NC=[NH+]2)C=C1	REAL300013281658	0	41	0.0	-71.32	333.77	7.04	-64.28
O=C([O-])C1=CC=C(CNC2=CC(N3CCOCC3)=[NH+]C=N2)C=C1	REAL300013281658	1	41	0.0	-71.63	331.32	6.90	-64.73
CC1=CC2=[NH+]C(NCC3=CC=C(C(=O)[O-])C=C3)=CC(C)=C2C=C1	REAL300013281675	1	41	0.0	-63.67	336.78	10.55	-53.12
O=C([O-])C1=CC=C(CNC2=CC=[NH+]C3=CC(Cl)=CC=C23)C=C1	REAL300013281693	1	35	0.0	-71.08	311.60	9.09	-61.99
O=C([O-])C1=CC=C(CNC2=CC=[NH+]C3=CC(Br)=CC=C23)C=C1	REAL300013281702	1	35	0.0	-71.28	316.16	9.19	-62.09
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300013281731	0	41	0.0	-70.19	354.67	10.32	-59.87
NC1=[NH+]C(NCC2=CC=C(C(=O)[O-])C=C2)=CC(N2C=CC=N2)=N1	REAL300013281759	1	37	0.0	-68.05	322.58	8.71	-59.34
O=C([O-])C1=CC=C(CNC2=[NH+]C=CC(N3CCOCC3)=N2)C=C1	REAL300013281762	0	41	0.0	-74.84	333.71	7.79	-67.05
COC1=CC=CC2=C(NCC3=CC=C(C(=O)[O-])C=C3)C=C(C)[NH+]=C12	REAL300013281767	1	42	0.0	-63.24	344.54	8.58	-54.66
CCOC(=O)C1=C(NCC2=CC=C(C(=O)[O-])C=C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013281768	1	47	0.0	-77.99	395.72	9.02	-68.97
CCOC(=O)C1=C(NCC2=CC=C(C(=O)[O-])C=C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013281769	1	50	0.0	-72.28	405.22	11.73	-60.55
CCC1=[NH+]C2=CC=CC=C2C(NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013281776	0	41	0.0	-63.81	337.63	9.90	-53.91
CC(C)C1=[NH+]C(NCC2=CC=C(C(=O)[O-])C=C2)=NC(N(C)C)=N1	REAL300013281786	1	44	0.0	-64.21	359.34	12.81	-51.40
CC(C)C1=NC(NCC2=CC=C(C(=O)[O-])C=C2)=NC(N(C)C)=[NH+]1	REAL300013281786	1	44	0.0	-62.87	357.90	12.89	-49.98
O=C([O-])C1=CC=C(CNC2=CC=[NH+]C(N3CCCCC3)=N2)C=C1	REAL300013281792	0	43	0.0	-70.66	342.60	9.90	-60.76
CCC1=C(NCC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2[NH+]=C1C	REAL300013281803	0	44	0.0	-67.00	352.70	10.43	-56.57
O=C([O-])C1=CC=C(CNC2=CC(N3CCCCC3CO)=NC=[NH+]2)C=C1	REAL300013281810	0	47	0.0	-72.63	372.56	5.96	-66.67
O=C([O-])C1=CC=C(CNC2=CC(N3CCCCC3CO)=[NH+]C=N2)C=C1	REAL300013281810	1	47	0.0	-70.34	373.34	6.16	-64.18
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013281814	0	40	0.0	-79.71	344.25	9.82	-69.89
CC1=[NH+]C2=CC=CC=C2C(NCC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300013281819	0	41	0.0	-66.66	332.44	9.67	-56.99
CC1=C2[NH+]=CC(C)=C(NCC3=CC=C(C(=O)[O-])C=C3)C2=CC=C1	REAL300013281826	0	41	0.0	-70.27	330.09	9.76	-60.51
O=C([O-])C1=CC=C(CNC2=CC=[NH+]C=C2Br)C=C1	REAL300013281828	1	29	0.0	-74.34	270.68	7.07	-67.27
CN1CCN(C2=CC(NCC3=CC=C(C(=O)[O-])C=C3)=[NH+]C=N2)CC1=O	REAL300013281829	0	44	0.0	-77.68	359.28	7.51	-70.17
CN1CCN(C2=CC(NCC3=CC=C(C(=O)[O-])C=C3)=NC=[NH+]2)CC1=O	REAL300013281829	1	44	0.0	-74.03	352.31	6.70	-67.33
CCOC(=O)C1=C[NH+]=CC=C1NCC1=CC=C(C(=O)[O-])C=C1	REAL300013281843	1	38	0.0	-79.87	323.57	8.19	-71.68
COC1=CC=CC2=C(NCC3=CC=C(C(=O)[O-])C=C3)C(C)=C[NH+]=C12	REAL300013281852	1	42	0.0	-68.69	340.43	8.44	-60.25
O=C([O-])C1=CC=C(CNC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)C=C1	REAL300013281862	0	46	0.0	-73.34	385.28	11.49	-61.85
O=C([O-])C1=CC=C(CNC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)C=C1	REAL300013281869	1	42	0.0	-61.81	363.07	11.53	-50.28
CCCCNC1=CC(NCC2=CC=C(C(=O)[O-])C=C2)=NC(N)=[NH+]1	REAL300013281878	0	44	0.0	-67.32	361.35	8.48	-58.84
CCCCNC1=CC(NCC2=CC=C(C(=O)[O-])C=C2)=[NH+]C(N)=N1	REAL300013281878	1	44	0.0	-64.87	361.35	8.48	-56.39
O=C([O-])C1=CC=C(CNC2=CC=[NH+]C=C2Br)C=C1	REAL300013281886	1	29	0.0	-74.34	270.68	7.07	-67.27
CC(C)NC1=[NH+]C(NCCO)=NC(NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013281891	0	47	0.0	-64.51	388.22	9.24	-55.27
CC(C)NC1=NC(NCCO)=[NH+]C(NCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300013281891	1	47	0.0	-66.14	388.88	9.26	-56.88
CC(C)NC1=NC(NCCO)=NC(NCC2=CC=C(C(=O)[O-])C=C2)=[NH+]1	REAL300013281891	1	47	0.0	-65.02	388.30	9.23	-55.79
CCNC1=[NH+]C(NCC2=CC=C(C(=O)[O-])C=C2)=NC(NC(C)(C)C)=N1	REAL300013281904	0	49	0.0	-64.36	390.06	13.49	-50.87
CCNC1=NC(NCC2=CC=C(C(=O)[O-])C=C2)=NC(NC(C)(C)C)=[NH+]1	REAL300013281904	1	49	0.0	-63.27	391.68	13.58	-49.69
CCNC1=NC(NCC2=CC=C(C(=O)[O-])C=C2)=[NH+]C(NC(C)(C)C)=N1	REAL300013281904	1	49	0.0	-64.27	391.68	13.57	-50.70
CN(C1=CC=CC=C1)C1=CC(NCC2=CC=C(C(=O)[O-])C=C2)=[NH+]C=N1	REAL300013281923	1	43	0.0	-71.82	360.12	11.28	-60.54
O=C([O-])C1=CC=C(CNC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)C=C1	REAL300013281948	1	35	0.0	-76.27	317.41	9.14	-67.13
CC(O)C1CCN(C2=CC(NCC3=CC=C(C(=O)[O-])C=C3)=[NH+]C=N2)C1	REAL300013281949	0	47	0.0	-70.74	371.74	7.13	-63.61
CC(O)C1CCN(C2=CC(NCC3=CC=C(C(=O)[O-])C=C3)=NC=[NH+]2)C1	REAL300013281949	1	47	0.0	-70.63	372.60	6.43	-64.20
O=C([O-])C1=CC=C(CNC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C=C1	REAL300013281951	1	38	0.0	-71.99	321.08	10.49	-61.50
CCCC1=CC2=C(NCC3=CC=C(C(=O)[O-])C=C3)C=C[NH+]=C2C=C1	REAL300013281954	0	44	0.0	-68.92	359.25	10.78	-58.14
CCC1=CC2=C(NCC3=CC=C(C(=O)[O-])C=C3)C=C[NH+]=C2C=C1	REAL300013281955	0	41	0.0	-68.84	337.75	10.01	-58.83
CC(C)OC1=CC2=C(NCC3=CC=C(C(=O)[O-])C=C3)C=C[NH+]=C2C=C1	REAL300013281957	0	45	0.0	-72.58	364.02	9.43	-63.15
CC1=CC(NCC2=CC=C(C(=O)[O-])C=C2)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013282050	1	40	0.0	-69.62	340.26	9.00	-60.62
O=C([O-])C1=CC=C(CNC2=CC=[NH+]C3=CC=C(Br)C=C23)C=C1	REAL300013282071	1	35	0.0	-73.43	316.17	9.20	-64.23
O=C([O-])C1=CC=C(CNC2=CC=[NH+]C3=C(Br)C=CC=C23)C=C1	REAL300013282077	1	35	0.0	-66.96	313.53	9.28	-57.68
CCOC1=CC2=[NH+]C=CC(NCC3=CC=C(C(=O)[O-])C=C3)=C2C=C1OCC	REAL300013282088	0	49	0.0	-72.98	397.01	9.67	-63.31
COC1=CC2=[NH+]C=CC(NCC3=CC=C(C(=O)[O-])C=C3)=C2C=C1Br	REAL300013282129	0	39	0.0	-75.22	344.65	8.56	-66.66
CC1(C)CCCN(C2=CC=[NH+]C(NCC3=CC=C(C(=O)[O-])C=C3)=N2)C1	REAL300013282138	0	49	0.0	-72.24	379.08	11.61	-60.63
CC1=CC2=C(NCC3=CC=C(C(=O)[O-])C=C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013282143	0	48	0.0	-67.18	384.18	11.73	-55.45
CC1=CC(C(F)(F)F)=CC(NCC2=CC=C(C(=O)[O-])C=C2)=[NH+]1	REAL300013282146	0	35	0.0	-68.81	312.20	8.82	-59.99
COC1=CC2=[NH+]C=CC(NCC3=CC=C(C(=O)[O-])C=C3)=C2C=C1OC	REAL300013282151	0	43	0.0	-73.17	353.30	7.83	-65.34
O=C([O-])C1=CC=C(CNC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C=C1	REAL300013282185	0	44	0.0	-75.65	364.74	11.39	-64.26
CC1=CC=C2C(NCC3=CC=C(C(=O)[O-])C=C3)=CC(C)=[NH+]C2=C1Cl	REAL300013282213	0	41	0.0	-63.22	349.23	10.31	-52.91
CC1=NC(NCC2=CC=C(C(=O)[O-])C=C2)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013282215	1	43	0.0	-66.79	358.43	10.14	-56.65
CC1=[NH+]C(NCC2=CC=C(C(=O)[O-])C=C2)=CC(NC2=CC=CC=C2)=N1	REAL300013282215	1	43	0.0	-67.27	360.45	10.97	-56.30
CC1=[NH+]C=CC(NCC2=CC=C(C(=O)[O-])C=C2)=C1Br	REAL300013282218	0	32	0.0	-72.02	288.85	7.56	-64.46
CN(C1=CC=[NH+]C(NCC2=CC=C(C(=O)[O-])C=C2)=N1)C1CCCCC1	REAL300013282220	0	49	0.0	-70.54	380.22	12.79	-57.75
CC1=CC(N(C)C(C)C)=NC(NCC2=CC=C(C(=O)[O-])C=C2)=[NH+]1	REAL300013282221	0	45	0.0	-66.19	360.16	11.41	-54.78
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC2=CC=C(C(=O)[O-])C=C2)=[NH+]1	REAL300013282224	0	46	0.0	-65.39	384.07	13.47	-51.92
CC1=CC(N2C=CC=N2)=NC(NCC2=CC=C(C(=O)[O-])C=C2)=[NH+]1	REAL300013282225	1	38	0.0	-70.49	329.04	10.63	-59.86
CC1=CC(NCC2=CC=C(C(=O)[O-])C=C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013282228	0	45	0.0	-66.01	360.29	11.51	-54.50
CN(C1=[NH+]C=CC(NCC2=CC=C(C(=O)[O-])C=C2)=N1)C1CCCCC1	REAL300013282231	0	49	0.0	-70.23	380.39	12.82	-57.41
O=C([O-])C1=CC=C(CNC2=C3C=CNC3=NC(C3CC3)=[NH+]2)C=C1	REAL300013282277	1	39	0.0	-64.69	327.99	9.83	-54.86
O=C([O-])C1=CC=C(CNC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)C=C1	REAL300013282278	0	39	0.0	-72.87	340.79	8.38	-64.49
CN(C)C1=CC(NCC2=CC=C(C(=O)[O-])C=C2)=[NH+]C(N(C)C)=N1	REAL300013282282	0	44	0.0	-62.19	355.25	10.97	-51.22
CN(C)C1=CC(NCC2=CC=C(C(=O)[O-])C=C2)=NC(N(C)C)=[NH+]1	REAL300013282282	1	44	0.0	-64.13	352.24	10.94	-53.19
CC1=C(Cl)C2=[NH+]C=CC(NCC3=CC=C(C(=O)[O-])C=C3)=C2C=C1	REAL300013282289	1	38	0.0	-66.80	327.93	9.74	-57.06
O=C([O-])C1=CN=C(N2CCCC([NH+]3CCCC3)CC2)C(Cl)=C1	REAL300013282305	0	44	0.0	-65.59	327.54	8.87	-56.72
O=C([O-])C1=CC2=C(N3CCCC([NH+]4CCCC4)CC3)N=CNC2=N1	REAL300013282306	0	47	0.0	-102.87	346.70	10.52	-92.35
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=NC=C(F)C=N2)CC1	REAL300013282314	0	36	0.0	-50.77	299.19	7.60	-43.17
O=C([O-])[C@@H]1CCCN1C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013282323	0	44	0.0	-36.16	332.11	5.01	-31.15
O=C([O-])[C@@H]1CCCN1C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013282323	1	44	0.0	-50.73	338.85	4.72	-46.01
COC1=CC2=NC(N3CCC[C@H]3C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013282332	0	41	0.0	-54.87	325.30	5.33	-49.54
O=C([O-])[C@@H]1CCCN1C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013282334	0	35	0.0	-47.15	291.17	7.63	-39.52
O=C([O-])[C@@H]1CCCN1C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013282367	1	32	0.0	-54.58	279.84	7.81	-46.77
O=C([O-])[C@@H]1CCCN1C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013282394	0	44	0.0	-35.42	334.61	4.45	-30.97
O=C([O-])[C@@H]1CCCN1C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013282394	1	44	0.0	-52.15	335.21	4.00	-48.15
CN1CCN(C2=CC(N3CCC[C@H]3C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013282403	0	41	0.0	-42.74	314.78	5.16	-37.58
CN1CCN(C2=CC(N3CCC[C@H]3C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013282403	1	41	0.0	-61.79	318.86	5.15	-56.64
O=C([O-])[C@@H]1CCCN1C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013282415	0	43	0.0	-64.13	347.94	9.95	-54.18
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC[C@H]2C(=O)[O-])=N1	REAL300013282424	0	44	0.0	-51.07	349.58	6.87	-44.20
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC[C@H]2C(=O)[O-])=N1	REAL300013282424	1	44	0.0	-43.31	351.40	6.54	-36.77
CC(C)NC1=NC(NCCO)=NC(N2CCC[C@H]2C(=O)[O-])=[NH+]1	REAL300013282424	1	44	0.0	-45.27	351.64	6.59	-38.68
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC[C@H]2C(=O)[O-])=N1	REAL300013282428	0	46	0.0	-48.84	350.04	10.68	-38.16
CCNC1=NC(NC(C)(C)C)=NC(N2CCC[C@H]2C(=O)[O-])=[NH+]1	REAL300013282428	1	46	0.0	-42.20	352.20	10.73	-31.47
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC[C@H]2C(=O)[O-])=N1	REAL300013282428	1	46	0.0	-40.92	346.76	10.32	-30.60
CC(O)C1CCN(C2=CC(N3CCC[C@H]3C(=O)[O-])=[NH+]C=N2)C1	REAL300013282439	0	44	0.0	-35.64	329.66	5.01	-30.63
CC(O)C1CCN(C2=CC(N3CCC[C@H]3C(=O)[O-])=NC=[NH+]2)C1	REAL300013282439	1	44	0.0	-35.07	327.94	4.41	-30.66
CC(C)OC1=CC2=C(N3CCC[C@H]3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013282442	0	42	0.0	-58.83	325.15	7.79	-51.04
CCOC(=O)C1=C(C)C2=C(N3CCC[C@H]3C(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013282472	1	51	0.0	-61.85	410.13	10.68	-51.17
C[NH+](C)CCNS(=O)(=O)C1=CC=C(N2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300013282476	0	48	0.0	-72.97	395.57	6.06	-66.91
C[NH+](C)CC1=NC(N2CCC[C@H]2C(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013282524	1	49	0.0	-51.77	392.49	12.08	-39.69
O=C([O-])[C@@H]1CCCN1C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013282525	1	32	0.0	-55.82	277.23	7.56	-48.26
CCOC1=CC2=[NH+]C=CC(N3CCC[C@H]3C(=O)[O-])=C2C=C1OCC	REAL300013282535	0	46	0.0	-48.74	354.93	7.71	-41.03
COC1=CC2=[NH+]C=CC(N3CCC[C@H]3C(=O)[O-])=C2C=C1Br	REAL300013282556	0	36	0.0	-48.83	302.33	6.60	-42.23
CC1(C)CCCN(C2=CC=[NH+]C(N3CCC[C@H]3C(=O)[O-])=N2)C1	REAL300013282562	0	46	0.0	-59.38	343.56	8.90	-50.48
COC1=CC2=[NH+]C=CC(N3CCC[C@H]3C(=O)[O-])=C2C=C1OC	REAL300013282567	0	40	0.0	-49.10	310.88	5.87	-43.23
O=C([O-])[C@@H]1CCCN1C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013282578	0	41	0.0	-56.38	327.77	9.16	-47.22
CN(C1=CC=[NH+]C(N2CCC[C@H]2C(=O)[O-])=N1)C1CCCCC1	REAL300013282592	0	46	0.0	-54.67	343.25	10.56	-44.11
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC[C@H]2C(=O)[O-])=[NH+]1	REAL300013282594	0	43	0.0	-53.33	347.05	10.75	-42.58
CN(C1=[NH+]C=CC(N2CCC[C@H]2C(=O)[O-])=N1)C1CCCCC1	REAL300013282595	0	46	0.0	-58.68	343.48	11.24	-47.44
O=C([O-])[C@@H]1CCCN1C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013282614	0	36	0.0	-46.64	298.50	6.42	-40.22
CCOC(=O)C1=CSC(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013282623	0	44	0.0	-51.92	372.67	9.10	-42.82
CC[NH+]1CCN(C2CCN(C3=CC=CC(C(=O)[O-])=N3)C2)CC1	REAL300013282632	0	46	0.0	-79.40	342.74	5.53	-73.87
CCN1CC[NH+](C2CCN(C3=CC=CC(C(=O)[O-])=N3)C2)CC1	REAL300013282632	1	46	0.0	-64.52	341.92	6.06	-58.46
CC[NH+]1CCN(C2CCN(C3=NC=CC=C3C(=O)[O-])C2)CC1	REAL300013282633	0	46	0.0	-69.71	342.84	7.00	-62.71
CCN1CC[NH+](C2CCN(C3=NC=CC=C3C(=O)[O-])C2)CC1	REAL300013282633	1	46	0.0	-54.41	340.00	6.91	-47.50
CC[NH+]1CCN(C2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)C2)CC1	REAL300013282634	0	46	0.0	-65.30	355.33	6.66	-58.64
CC[NH+]1CCN(C2CCN(C3=CC=CC(C(=O)[O-])=N3)C2)CC1	REAL300013282635	0	46	0.0	-79.40	342.74	5.53	-73.87
CCN1CC[NH+](C2CCN(C3=CC=CC(C(=O)[O-])=N3)C2)CC1	REAL300013282635	1	46	0.0	-64.52	341.92	6.06	-58.46
CC[NH+]1CCN(C2CCN(C3=CC=CC(C(=O)[O-])=N3)C2)CC1	REAL300013282636	0	46	0.0	-79.40	342.74	5.53	-73.87
CCN1CC[NH+](C2CCN(C3=CC=CC(C(=O)[O-])=N3)C2)CC1	REAL300013282636	1	46	0.0	-64.52	341.92	6.06	-58.46
CC[NH+]1CCN(C2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)CC1	REAL300013282637	0	49	0.0	-103.86	369.58	8.00	-95.86
CCN1CC[NH+](C2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)CC1	REAL300013282637	1	49	0.0	-102.64	370.71	7.83	-94.81
C[N@H+](CCCO)C1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013282655	0	44	0.0	-68.99	351.08	5.48	-63.51
C[N@@H+](CCCO)C1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013282655	1	44	0.0	-69.05	351.07	5.47	-63.58
C[N@H+](CCCO)C1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013282656	0	47	0.0	-103.55	357.92	6.59	-96.96
C[N@@H+](CCCO)C1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013282656	1	47	0.0	-103.22	357.92	6.60	-96.62
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=C3SC=CC3=NC=N2)CC1	REAL300013282668	0	39	0.0	-54.31	324.78	8.17	-46.14
O=C([O-])C1=CC=CC(NCC2([NH+]3CCCC3)CCOCC2)=N1	REAL300013282679	0	45	0.0	-69.03	323.86	6.50	-62.53
O=C([O-])C1=CC=CN=C1NCC1([NH+]2CCCC2)CCOCC1	REAL300013282680	0	45	0.0	-46.90	323.24	7.06	-39.84
O=C([O-])C1=CN=C(NCC2([NH+]3CCCC3)CCOCC2)C(Cl)=C1	REAL300013282681	0	45	0.0	-62.28	339.40	7.34	-54.94
O=C([O-])C1=CC=CC(NCC2([NH+]3CCCC3)CCOCC2)=N1	REAL300013282682	0	45	0.0	-69.03	323.86	6.50	-62.53
O=C([O-])C1=CC=CC(NCC2([NH+]3CCCC3)CCOCC2)=N1	REAL300013282683	0	45	0.0	-69.03	323.86	6.50	-62.53
O=C([O-])C1=CC2=C(NCC3([NH+]4CCCC4)CCOCC3)N=CNC2=N1	REAL300013282684	0	48	0.0	-93.92	352.59	7.69	-86.23
CC(NC1=C2C=C(C(=O)[O-])N=C2NC=N1)C(C)[NH+]1CCOCC1	REAL300013282686	1	44	0.0	-102.46	335.25	7.10	-95.36
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=CC=C(F)C=C2)C1	REAL300013282702	0	39	0.0	-50.50	316.30	10.48	-40.02
CC1CCCC[N@@H+]1CCC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013282707	0	53	0.0	-74.80	377.33	10.35	-64.45
CC1CCCC[N@H+]1CCC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013282707	1	53	0.0	-78.07	384.11	10.65	-67.42
CC1CCCC[N@@H+]1CCC1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013282708	1	53	0.0	-66.93	378.16	11.16	-55.77
CC1CCCC[N@H+]1CCC1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013282708	1	53	0.0	-66.22	384.86	11.47	-54.75
CC1CCCC[N@@H+]1CCC1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013282709	0	53	0.0	-66.35	396.26	10.87	-55.48
CC1CCCC[N@H+]1CCC1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013282709	1	53	0.0	-65.82	403.01	11.19	-54.63
CC1CCCC[N@@H+]1CCC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013282710	0	53	0.0	-74.80	377.33	10.35	-64.45
CC1CCCC[N@H+]1CCC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013282710	1	53	0.0	-78.07	384.11	10.65	-67.42
CC1CCCC[N@@H+]1CCC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013282711	0	53	0.0	-74.80	377.33	10.35	-64.45
CC1CCCC[N@H+]1CCC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013282711	1	53	0.0	-78.07	384.11	10.65	-67.42
CC1CCCC[N@@H+]1CCC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013282712	0	56	0.0	-102.26	402.78	12.12	-90.14
CC1CCCC[N@H+]1CCC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013282712	1	56	0.0	-97.98	409.49	12.42	-85.56
O=C([O-])C1=CC=C[NH+]=C1N1CCN(S(=O)(=O)CC2=NOC=C2)CC1	REAL300013282732	0	40	0.0	-65.66	342.09	4.65	-61.01
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=C(Cl)C=C2)CC1	REAL300013282738	0	38	0.0	-49.08	315.48	8.41	-40.67
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC(F)=CC=C2F)CC1	REAL300013282795	0	38	0.0	-48.82	315.25	8.27	-40.55
N#CC1=CC=CC=C1N1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013282832	0	42	0.0	-44.24	333.28	9.47	-34.77
CN(CCC[NH+]1CCCC1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013282843	0	43	0.0	-97.79	338.31	9.71	-88.08
CC[NH+](CC)CCN(CC(C)C)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013282867	0	48	0.0	-62.82	377.33	9.99	-52.83
CC[NH+](CC)CCN(CC(C)C)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013282868	0	51	0.0	-86.85	386.17	10.93	-75.92
CCOC(=O)CNC(=O)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013282878	0	45	0.0	-59.29	364.97	7.05	-52.24
O=C([O-])C1=CC=C[NH+]=C1N1CCC(N2CCCNC2=O)CC1	REAL300013282886	0	42	0.0	-67.43	318.97	6.27	-61.16
O=C([O-])C1=CC=C[NH+]=C1N1CCS(=O)(=O)C2(CCCCC2)C1	REAL300013282922	1	42	0.0	-50.11	316.20	6.13	-43.98
C[NH+]1CCC(OC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013282953	0	48	0.0	-81.80	378.93	9.37	-72.43
C[NH+]1CCC(OC2=CC=C(CNC3=NC=CC=C3C(=O)[O-])C=C2)CC1	REAL300013282954	0	48	0.0	-71.43	374.93	9.89	-61.54
C[NH+]1CCC(OC2=CC=C(CNC3=NC=C(C(=O)[O-])C=C3Cl)C=C2)CC1	REAL300013282955	0	48	0.0	-73.54	394.43	10.22	-63.32
C[NH+]1CCC(OC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013282956	0	48	0.0	-81.80	378.93	9.37	-72.43
C[NH+]1CCC(OC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013282957	0	48	0.0	-81.80	378.93	9.37	-72.43
C[NH+]1CCC(OC2=CC=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C=C2)CC1	REAL300013282958	0	51	0.0	-102.41	407.60	10.56	-91.85
C[NH+](C)CCCNS(=O)(=O)C1=CC=C(SCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300013282991	0	43	0.0	-78.93	378.49	5.93	-73.00
C[NH+](C)CCNS(=O)(=O)C1=CC=C(SCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300013283097	0	40	0.0	-80.53	356.98	5.14	-75.39
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)CC2=CC=CC=C2)CC1	REAL300013283204	0	43	0.0	-53.53	346.39	9.64	-43.89
C[C@@H]1C[N@@H+](CCN(C)C2=C3C=C(C(=O)[O-])N=C3NC=N2)C[C@H](C)O1	REAL300013283216	0	47	0.0	-106.14	358.91	8.67	-97.47
C[C@@H]1C[N@H+](CCN(C)C2=C3C=C(C(=O)[O-])N=C3NC=N2)C[C@H](C)O1	REAL300013283216	1	47	0.0	-101.48	366.88	8.77	-92.71
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013283238	0	53	0.0	-70.05	404.48	11.83	-58.22
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC2=NC=CC=C2C(=O)[O-])C1	REAL300013283239	0	53	0.0	-49.08	400.63	12.85	-36.23
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013283240	0	53	0.0	-57.95	417.33	13.23	-44.72
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013283241	0	53	0.0	-70.05	404.48	11.83	-58.22
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013283242	0	53	0.0	-70.05	404.48	11.83	-58.22
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013283243	0	56	0.0	-95.26	433.16	13.04	-82.22
CC1CCN(C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=[NH+]2)CC1	REAL300013283244	1	46	0.0	-69.93	361.51	8.31	-61.62
CC1CCN(C2=CC=C(CNC3=NC=CC=C3C(=O)[O-])C=[NH+]2)CC1	REAL300013283245	1	46	0.0	-49.32	357.54	8.85	-40.47
CC1CCN(C2=CC=C(CNC3=NC=C(C(=O)[O-])C=C3Cl)C=[NH+]2)CC1	REAL300013283246	1	46	0.0	-61.77	377.01	9.18	-52.59
CC1CCN(C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=[NH+]2)CC1	REAL300013283247	1	46	0.0	-69.93	361.51	8.31	-61.62
CC1CCN(C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=[NH+]2)CC1	REAL300013283248	1	46	0.0	-69.93	361.51	8.31	-61.62
CC1CCN(C2=CC=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C=[NH+]2)CC1	REAL300013283249	1	49	0.0	-95.48	390.18	9.51	-85.97
O=C([O-])C1=CC=CC(NCC2=CC=C(N3CCCCCC3)[NH+]=C2)=N1	REAL300013283250	1	46	0.0	-70.01	352.06	8.06	-61.95
O=C([O-])C1=CC=CN=C1NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013283251	1	46	0.0	-48.34	348.15	8.59	-39.75
O=C([O-])C1=CN=C(NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C(Cl)=C1	REAL300013283252	1	46	0.0	-60.98	367.56	8.93	-52.05
O=C([O-])C1=CC=CC(NCC2=CC=C(N3CCCCCC3)[NH+]=C2)=N1	REAL300013283253	1	46	0.0	-70.01	352.06	8.06	-61.95
O=C([O-])C1=CC=CC(NCC2=CC=C(N3CCCCCC3)[NH+]=C2)=N1	REAL300013283254	1	46	0.0	-70.01	352.06	8.06	-61.95
O=C([O-])C1=CC2=C(NCC3=CC=C(N4CCCCCC4)[NH+]=C3)N=CNC2=N1	REAL300013283255	1	49	0.0	-93.77	380.72	9.25	-84.52
C[NH+](C)CCCNS(=O)(=O)C1=CC=C(SCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300013283303	0	46	0.0	-74.24	400.16	6.72	-67.52
C[NH+](C)CCNS(=O)(=O)C1=CC=C(SCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300013283464	0	43	0.0	-75.38	378.66	5.93	-69.45
O=C([O-])C1=CC=C[NH+]=C1N1CCOC2=CC=C(Br)C=C2C1	REAL300013283622	0	34	0.0	-41.09	285.36	8.95	-32.14
CN(C)S(=O)(=O)C1=CC=CC2=C1CCN(C1=[NH+]C=CC=C1C(=O)[O-])C2	REAL300013283628	0	44	0.0	-50.99	342.31	6.27	-44.72
CC(=O)N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC12CCCCC2	REAL300013283644	0	46	0.0	-45.71	330.36	8.88	-36.83
CC1=C(C)SC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013283719	0	40	0.0	-50.15	327.83	7.32	-42.83
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(N2C=CC(C(F)(F)F)=N2)C1	REAL300013283740	0	39	0.0	-59.47	331.10	8.62	-50.85
CC[N@@H+]1CC(C)N(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1C	REAL300013283749	0	43	0.0	-98.55	315.32	9.19	-89.36
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CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1[NH+]1CCOCC1	REAL300013284056	1	45	0.0	-105.83	341.56	7.67	-98.16
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CC1=CC(C)=NC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013284139	0	42	0.0	-53.23	336.10	8.71	-44.52
C[C@H](NC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013284171	0	47	0.0	-80.57	392.26	4.83	-75.74
C[C@H](NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013284202	0	39	0.0	-51.47	323.24	8.63	-42.84
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CCCCN(C)C(=O)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013284347	0	48	0.0	-62.46	365.87	9.39	-53.07
COC1=CC=CC=C1C(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCCCC1	REAL300013284352	0	51	0.0	-68.06	384.05	10.14	-57.92
COC1=CC=CC=C1C(CNC1=NC=CC=C1C(=O)[O-])[NH+]1CCCCC1	REAL300013284353	0	51	0.0	-45.02	383.65	10.70	-34.32
COC1=CC=CC=C1C(CNC1=NC=C(C(=O)[O-])C=C1Cl)[NH+]1CCCCC1	REAL300013284354	0	51	0.0	-60.28	399.67	11.01	-49.27
COC1=CC=CC=C1C(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCCCC1	REAL300013284355	0	51	0.0	-68.06	384.05	10.14	-57.92
COC1=CC=CC=C1C(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCCCC1	REAL300013284356	0	51	0.0	-68.06	384.05	10.14	-57.92
COC1=CC=CC=C1C(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[NH+]1CCCCC1	REAL300013284357	0	54	0.0	-91.82	413.13	11.67	-80.15
C[NH+](C)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=C(F)C=C1	REAL300013284364	0	40	0.0	-74.81	321.43	9.36	-65.45
C[NH+](C)C(CNC1=NC=CC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300013284365	0	40	0.0	-64.98	325.11	9.21	-55.77
C[NH+](C)C(CNC1=NC=C(C(=O)[O-])C=C1Cl)C1=CC=C(F)C=C1	REAL300013284366	0	40	0.0	-69.90	337.75	10.32	-59.58
C[NH+](C)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=C(F)C=C1	REAL300013284367	0	40	0.0	-74.81	321.43	9.36	-65.45
C[NH+](C)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=C(F)C=C1	REAL300013284368	0	40	0.0	-74.81	321.43	9.36	-65.45
C[NH+](C)C(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1=CC=C(F)C=C1	REAL300013284369	0	43	0.0	-112.41	353.60	9.89	-102.52
O=C([O-])C1=CC=CC(NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)=N1	REAL300013284370	1	44	0.0	-95.77	358.09	9.87	-85.90
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O=C([O-])C1=CN=C(NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)C(Cl)=C1	REAL300013284372	1	44	0.0	-79.52	375.01	10.85	-68.67
O=C([O-])C1=CC=CC(NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)=N1	REAL300013284373	1	44	0.0	-95.77	358.09	9.87	-85.90
O=C([O-])C1=CC=CC(NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)=N1	REAL300013284374	1	44	0.0	-95.77	358.09	9.87	-85.90
O=C([O-])C1=CC2=C(NC3CC[NH+](CC4=CC=C(F)C(F)=C4)CC3)N=CNC2=N1	REAL300013284375	1	47	0.0	-120.31	388.18	11.20	-109.11
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300013284389	0	41	0.0	-48.61	337.77	8.91	-39.70
CC1=CSC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013284401	0	37	0.0	-49.82	308.93	6.62	-43.20
O=C([O-])C1=CC=C[NH+]=C1N1CCCN(C(=O)C2=CSC=C2)CC1	REAL300013284419	0	40	0.0	-45.95	327.83	8.89	-37.06
CC1=CC(CN(C)C2=[NH+]C=CC=C2C(=O)[O-])=CC(C)=C1OCC(F)(F)F	REAL300013284425	0	45	0.0	-54.19	380.52	11.01	-43.18
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2C[NH+]2CCOCC2)=N1	REAL300013284438	1	45	0.0	-66.26	351.29	8.81	-57.45
O=C([O-])C1=CC=CN=C1NCC1=CC=CC=C1C[NH+]1CCOCC1	REAL300013284439	1	45	0.0	-48.91	350.88	9.27	-39.64
O=C([O-])C1=CN=C(NCC2=CC=CC=C2C[NH+]2CCOCC2)C(Cl)=C1	REAL300013284440	1	45	0.0	-58.65	366.88	9.66	-48.99
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2C[NH+]2CCOCC2)=N1	REAL300013284441	1	45	0.0	-66.26	351.29	8.81	-57.45
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2C[NH+]2CCOCC2)=N1	REAL300013284442	1	45	0.0	-66.26	351.29	8.81	-57.45
O=C([O-])C1=CC2=C(NCC3=CC=CC=C3C[NH+]3CCOCC3)N=CNC2=N1	REAL300013284443	1	48	0.0	-92.55	380.04	10.00	-82.55
CC1CCCC[N@@H+]1CCCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013284448	0	43	0.0	-65.97	342.54	9.05	-56.92
CC1CCCC[N@H+]1CCCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013284448	1	43	0.0	-65.98	342.53	9.04	-56.94
CC1CCCC[N@@H+]1CCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013284449	0	46	0.0	-100.63	348.96	9.08	-91.55
CC1CCCC[N@H+]1CCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013284449	1	46	0.0	-100.61	348.99	9.07	-91.54
COC1=C(C)C=NC(CN(C)C2=[NH+]C=CC=C2C(=O)[O-])=C1C	REAL300013284475	0	41	0.0	-56.94	321.94	7.25	-49.69
CC1=CC=C(C(CNC2=NC=C(C(=O)[O-])C=C2Cl)[NH+](C)C)C=C1	REAL300013284480	0	43	0.0	-65.18	352.76	10.92	-54.26
CC1=CC=C(C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[NH+](C)C)C=C1	REAL300013284481	0	46	0.0	-107.15	368.93	10.52	-96.63
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=CC=CC=N2)CC1	REAL300013284521	0	39	0.0	-52.64	316.30	7.65	-44.99
O=C([O-])C1=CC=C[NH+]=C1N1CCCN(C2=NC=CS2)CC1	REAL300013284551	0	37	0.0	-45.48	299.97	6.85	-38.63
O=C([O-])C1=CC=CC(N2CCC[N@H+](CC3=CC=CC=C3)CC2)=N1	REAL300013284558	0	44	0.0	-68.99	333.11	9.59	-59.40
O=C([O-])C1=CC=CC(N2CCC[N@@H+](CC3=CC=CC=C3)CC2)=N1	REAL300013284558	1	44	0.0	-72.77	336.12	10.31	-62.46
O=C([O-])C1=CC=CN=C1N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300013284559	0	44	0.0	-51.10	336.34	10.59	-40.51
O=C([O-])C1=CC=CN=C1N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300013284559	1	44	0.0	-57.81	335.81	10.78	-47.03
O=C([O-])C1=CN=C(N2CCC[N@H+](CC3=CC=CC=C3)CC2)C(Cl)=C1	REAL300013284560	0	44	0.0	-66.93	344.93	10.34	-56.59
O=C([O-])C1=CN=C(N2CCC[N@@H+](CC3=CC=CC=C3)CC2)C(Cl)=C1	REAL300013284560	1	44	0.0	-66.18	353.97	10.47	-55.71
O=C([O-])C1=CC=CC(N2CCC[N@H+](CC3=CC=CC=C3)CC2)=N1	REAL300013284561	0	44	0.0	-68.99	333.11	9.59	-59.40
O=C([O-])C1=CC=CC(N2CCC[N@@H+](CC3=CC=CC=C3)CC2)=N1	REAL300013284561	1	44	0.0	-72.77	336.12	10.31	-62.46
O=C([O-])C1=CC=CC(N2CCC[N@H+](CC3=CC=CC=C3)CC2)=N1	REAL300013284562	0	44	0.0	-68.99	333.11	9.59	-59.40
O=C([O-])C1=CC=CC(N2CCC[N@@H+](CC3=CC=CC=C3)CC2)=N1	REAL300013284562	1	44	0.0	-72.77	336.12	10.31	-62.46
O=C([O-])C1=CC2=C(N3CCC[N@H+](CC4=CC=CC=C4)CC3)N=CNC2=N1	REAL300013284563	0	47	0.0	-102.40	361.77	11.93	-90.47
O=C([O-])C1=CC2=C(N3CCC[N@@H+](CC4=CC=CC=C4)CC3)N=CNC2=N1	REAL300013284563	1	47	0.0	-103.32	362.36	12.05	-91.27
O=C([O-])C1=CC=CC(N2CCC[N@H+](CC3=CC=C(C(F)(F)F)C=C3)CC2)=N1	REAL300013284564	0	47	0.0	-79.19	373.91	10.96	-68.23
O=C([O-])C1=CC=CC(N2CCC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)CC2)=N1	REAL300013284564	1	47	0.0	-82.30	373.20	11.03	-71.27
O=C([O-])C1=CC=CN=C1N1CCC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300013284565	0	47	0.0	-56.92	375.09	11.60	-45.32
O=C([O-])C1=CC=CN=C1N1CCC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300013284565	1	47	0.0	-64.37	374.65	11.79	-52.58
O=C([O-])C1=CC=CC(N2CCC[N@H+](CC3=CC=C(C(F)(F)F)C=C3)CC2)=N1	REAL300013284566	0	47	0.0	-79.19	373.91	10.96	-68.23
O=C([O-])C1=CC=CC(N2CCC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)CC2)=N1	REAL300013284566	1	47	0.0	-82.30	373.20	11.03	-71.27
O=C([O-])C1=CC=CC(N2CCC[N@H+](CC3=CC=C(C(F)(F)F)C=C3)CC2)=N1	REAL300013284567	0	47	0.0	-79.19	373.91	10.96	-68.23
O=C([O-])C1=CC=CC(N2CCC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)CC2)=N1	REAL300013284567	1	47	0.0	-82.30	373.20	11.03	-71.27
COC1=CC=C(S(=O)(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013284574	0	45	0.0	-55.28	372.73	5.93	-49.35
O=C([O-])C1=CC=CC(N2CC[NH+](CCC3=CC=CC=C3)CC2)=N1	REAL300013284588	0	44	0.0	-74.09	346.99	9.98	-64.11
O=C([O-])C1=CC=CN=C1N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300013284589	0	44	0.0	-58.09	347.35	10.84	-47.25
O=C([O-])C1=CN=C(N2CC[NH+](CCC3=CC=CC=C3)CC2)C(Cl)=C1	REAL300013284590	1	44	0.0	-67.32	365.48	10.55	-56.77
O=C([O-])C1=CC=CC(N2CC[NH+](CCC3=CC=CC=C3)CC2)=N1	REAL300013284591	0	44	0.0	-74.09	346.99	9.98	-64.11
O=C([O-])C1=CC=CC(N2CC[NH+](CCC3=CC=CC=C3)CC2)=N1	REAL300013284592	0	44	0.0	-74.09	346.99	9.98	-64.11
O=C([O-])C1=CC2=C(N3CC[NH+](CCC4=CC=CC=C4)CC3)N=CNC2=N1	REAL300013284593	0	47	0.0	-103.14	372.11	11.82	-91.32
O=C([O-])C1=CC=C[NH+]=C1N1CCC(NS(=O)(=O)C2=CC=CS2)CC1	REAL300013284601	0	41	0.0	-54.34	354.30	5.15	-49.19
O=C([O-])C1=CC2=C(NCC(C3=CC=CC=C3)[NH+]3CCOCC3)N=CNC2=N1	REAL300013284615	1	48	0.0	-95.32	377.52	9.92	-85.40
COC1=CC=CC(C(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1	REAL300013284617	0	44	0.0	-51.38	349.40	7.83	-43.55
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=CC=C(F)C=C2)CC1	REAL300013284623	0	40	0.0	-49.00	327.67	8.66	-40.34
CC1CC[NH+](CC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013284628	0	50	0.0	-77.37	389.96	11.14	-66.23
CC1CC[NH+](CC2=CC=C(CNC3=NC=CC=C3C(=O)[O-])C=C2)CC1	REAL300013284629	0	50	0.0	-66.76	385.99	11.68	-55.08
CC1CC[NH+](CC2=CC=C(CNC3=NC=C(C(=O)[O-])C=C3Cl)C=C2)CC1	REAL300013284630	0	50	0.0	-71.39	405.50	12.01	-59.38
CC1CC[NH+](CC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013284631	0	50	0.0	-77.37	389.96	11.14	-66.23
CC1CC[NH+](CC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013284632	0	50	0.0	-77.37	389.96	11.14	-66.23
CC1CC[NH+](CC2=CC=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C=C2)CC1	REAL300013284633	0	53	0.0	-100.12	418.68	12.34	-87.78
CN(CCC1=CC=CC2=CC=CC=C21)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013284647	0	41	0.0	-49.17	330.61	11.65	-37.52
C[NH+](C)CCCNS(=O)(=O)C1=CC=C(NCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300013284659	0	44	0.0	-74.72	374.70	4.14	-70.58
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC(=O)[O-])=C1C	REAL300013284673	0	31	0.0	-52.27	274.28	6.87	-45.40
CCOC(=O)C1=C(NCC(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013284680	1	37	0.0	-56.26	306.73	5.54	-50.72
CCOC(=O)C1=C(NCC(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013284681	1	40	0.0	-58.71	324.26	8.24	-50.47
O=C([O-])CNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013284699	1	32	0.0	-34.78	281.67	7.99	-26.79
CCOC(=O)C1=C(C)C2=C(NCC(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013284727	1	44	0.0	-57.07	366.95	8.29	-48.78
C[NH+](C)CCNS(=O)(=O)C1=CC=C(NCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300013284731	0	41	0.0	-74.91	353.20	3.35	-71.56
C[NH+](C)CC1=NC(NCC(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013284758	1	42	0.0	-54.26	350.46	9.65	-44.61
COC1=CC2=[NH+]C=CC(NCC(=O)[O-])=C2C=C1Br	REAL300013284770	0	29	0.0	-50.06	263.25	5.02	-45.04
O=C([O-])C1CCN(C2=CC(N3CCSCC3)=NC=[NH+]2)CC1	REAL300013284792	0	41	0.0	-61.83	319.27	8.17	-53.66
O=C([O-])C1CCN(C2=CC(N3CCSCC3)=[NH+]C=N2)CC1	REAL300013284792	1	41	0.0	-64.17	319.61	7.87	-56.30
O=C([O-])C1CCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CC1	REAL300013284797	0	47	0.0	-61.74	351.57	5.57	-56.17
O=C([O-])C1CCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CC1	REAL300013284797	1	47	0.0	-65.04	350.51	5.55	-59.49
COC1=CC2=NC(N3CCC(C(=O)[O-])CC3)=[NH+]C(N)=C2C=C1OC	REAL300013284814	0	44	0.0	-62.19	342.85	6.63	-55.56
O=C([O-])C1CCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)CC1	REAL300013284821	0	38	0.0	-68.24	316.64	8.72	-59.52
CC(C)(C)C1=CC(N2CCC(C(=O)[O-])CC2)=NC(C(C)(C)C)=[NH+]1	REAL300013284827	1	52	0.0	-54.46	383.15	10.23	-44.23
CC1=CC(N2CCC(C(=O)[O-])CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013284835	1	43	0.0	-70.16	353.09	10.38	-59.78
O=C([O-])C1CCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)CC1	REAL300013284864	1	35	0.0	-65.76	299.36	8.32	-57.44
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCC(C(=O)[O-])CC2)=C1C	REAL300013284886	0	41	0.0	-61.64	326.29	9.20	-52.44
COC1=CC=CC2=C(N3CCC(C(=O)[O-])CC3)C=C(C)[NH+]=C12	REAL300013284912	1	42	0.0	-54.18	319.92	7.20	-46.98
CCOC(=O)C1=C(N2CCC(C(=O)[O-])CC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013284913	1	47	0.0	-73.44	369.58	8.18	-65.26
CCOC(=O)C1=C(N2CCC(C(=O)[O-])CC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013284914	1	50	0.0	-67.11	378.91	10.85	-56.26
O=C([O-])C1CCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)CC1	REAL300013284933	0	47	0.0	-60.32	350.58	5.38	-54.94
O=C([O-])C1CCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)CC1	REAL300013284933	1	47	0.0	-62.20	351.69	5.05	-57.15
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCC(C(=O)[O-])CC2)=C1	REAL300013284937	0	40	0.0	-72.11	319.62	8.43	-63.68
CN1CCN(C2=CC(N3CCC(C(=O)[O-])CC3)=[NH+]C=N2)CC1=O	REAL300013284945	0	44	0.0	-67.93	336.54	6.28	-61.65
CN1CCN(C2=CC(N3CCC(C(=O)[O-])CC3)=NC=[NH+]2)CC1=O	REAL300013284945	1	44	0.0	-62.01	331.81	5.61	-56.40
CC(C)C1OCCCC1NC1=CC(N2CCC(C(=O)[O-])CC2)=NC=[NH+]1	REAL300013284953	0	53	0.0	-61.27	389.61	9.17	-52.10
CC(C)C1OCCCC1NC1=CC(N2CCC(C(=O)[O-])CC2)=[NH+]C=N1	REAL300013284953	1	53	0.0	-57.82	388.28	9.05	-48.77
O=C([O-])C1CCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)CC1	REAL300013284971	0	46	0.0	-72.35	368.61	10.63	-61.72
O=C([O-])C1CCN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)CC1	REAL300013284977	1	42	0.0	-50.66	338.42	10.15	-40.51
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC(C(=O)[O-])CC2)=N1	REAL300013284992	0	47	0.0	-56.77	366.36	7.71	-49.06
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC(C(=O)[O-])CC2)=N1	REAL300013284992	1	47	0.0	-52.28	368.54	7.81	-44.47
CC(C)NC1=NC(NCCO)=NC(N2CCC(C(=O)[O-])CC2)=[NH+]1	REAL300013284992	1	47	0.0	-51.32	367.81	7.79	-43.53
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC(C(=O)[O-])CC2)=N1	REAL300013285002	0	49	0.0	-53.40	366.06	11.67	-41.73
CCNC1=NC(NC(C)(C)C)=NC(N2CCC(C(=O)[O-])CC2)=[NH+]1	REAL300013285002	1	49	0.0	-50.46	369.70	12.05	-38.41
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC(C(=O)[O-])CC2)=N1	REAL300013285002	1	49	0.0	-47.82	366.56	11.69	-36.13
CC(O)C1CCN(C2=CC(N3CCC(C(=O)[O-])CC3)=[NH+]C=N2)C1	REAL300013285033	0	47	0.0	-60.84	353.43	5.55	-55.29
CC(O)C1CCN(C2=CC(N3CCC(C(=O)[O-])CC3)=NC=[NH+]2)C1	REAL300013285033	1	47	0.0	-61.15	352.02	5.25	-55.90
CC(C)OC1=CC2=C(N3CCC(C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013285038	0	45	0.0	-70.15	347.21	8.57	-61.58
C[NH+](C)CC1=NC(N2CCC(C(=O)[O-])CC2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013285143	1	52	0.0	-66.12	415.26	12.91	-53.21
O=C([O-])C1CCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)CC1	REAL300013285144	1	35	0.0	-69.55	299.38	8.33	-61.22
CCOC1=CC2=[NH+]C=CC(N3CCC(C(=O)[O-])CC3)=C2C=C1OCC	REAL300013285159	0	49	0.0	-67.27	380.23	8.80	-58.47
CCC1=CC(N2CCC(C(=O)[O-])CC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013285161	1	43	0.0	-61.96	341.51	8.66	-53.30
COC1=CC2=[NH+]C=CC(N3CCC(C(=O)[O-])CC3)=C2C=C1Br	REAL300013285192	0	39	0.0	-70.30	327.86	7.71	-62.59
CC1(C)CCCN(C2=CC=[NH+]C(N3CCC(C(=O)[O-])CC3)=N2)C1	REAL300013285200	0	49	0.0	-59.53	357.71	10.18	-49.35
CC1=CC2=C(N3CCC(C(=O)[O-])CC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013285205	0	48	0.0	-57.61	357.00	10.57	-47.04
COC1=CC2=[NH+]C=CC(N3CCC(C(=O)[O-])CC3)=C2C=C1OC	REAL300013285210	0	43	0.0	-67.37	336.52	6.96	-60.41
O=C([O-])C1CCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CC1	REAL300013285229	0	44	0.0	-61.63	341.51	9.83	-51.80
CC1=CC=C2C(N3CCC(C(=O)[O-])CC3)=CC(C)=[NH+]C2=C1Cl	REAL300013285245	0	41	0.0	-53.17	324.59	8.94	-44.23
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCC(C(=O)[O-])CC2)=N1	REAL300013285248	0	43	0.0	-57.56	338.45	9.51	-48.05
CC1=NC(NC2=CC=CC=C2)=CC(N2CCC(C(=O)[O-])CC2)=[NH+]1	REAL300013285248	1	43	0.0	-53.58	334.60	8.89	-44.69
CN(C1=CC=[NH+]C(N2CCC(C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013285252	0	49	0.0	-57.40	359.46	11.26	-46.14
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC(C(=O)[O-])CC2)=[NH+]1	REAL300013285255	0	46	0.0	-58.65	361.26	11.18	-47.47
CN(C1=[NH+]C=CC(N2CCC(C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013285258	0	49	0.0	-61.85	358.99	11.73	-50.12
CC1=CC(N2CCC(C(=O)[O-])CC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013285260	1	46	0.0	-60.07	361.80	12.41	-47.66
O=C([O-])C1CCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)CC1	REAL300013285294	0	39	0.0	-67.31	324.00	7.52	-59.79
CC1=C(Cl)C2=[NH+]C=CC(N3CCC(C(=O)[O-])CC3)=C2C=C1	REAL300013285300	1	38	0.0	-59.50	311.15	8.87	-50.63
COC1=CC=CC=C1C(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCCC1	REAL300013285309	0	48	0.0	-66.26	367.37	9.62	-56.64
COC1=CC=CC=C1C(CNC1=NC=CC=C1C(=O)[O-])[NH+]1CCCC1	REAL300013285310	0	48	0.0	-43.56	361.30	9.94	-33.62
COC1=CC=CC=C1C(CNC1=NC=C(C(=O)[O-])C=C1Cl)[NH+]1CCCC1	REAL300013285311	0	48	0.0	-60.26	383.74	10.48	-49.78
COC1=CC=CC=C1C(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCCC1	REAL300013285312	0	48	0.0	-66.26	367.37	9.62	-56.64
COC1=CC=CC=C1C(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCCC1	REAL300013285313	0	48	0.0	-66.26	367.37	9.62	-56.64
COC1=CC=CC=C1C(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[NH+]1CCCC1	REAL300013285314	0	51	0.0	-91.49	396.21	10.77	-80.72
CC1CC[NH+](C(CNC2=CC=CC(C(=O)[O-])=N2)C2=CC=CS2)CC1	REAL300013285315	0	47	0.0	-75.09	373.22	10.22	-64.87
CC1CC[NH+](C(CNC2=NC=CC=C2C(=O)[O-])C2=CC=CS2)CC1	REAL300013285316	0	47	0.0	-51.43	369.41	10.80	-40.63
CC1CC[NH+](C(CNC2=NC=C(C(=O)[O-])C=C2Cl)C2=CC=CS2)CC1	REAL300013285317	0	47	0.0	-62.83	389.11	11.07	-51.76
CC1CC[NH+](C(CNC2=CC=CC(C(=O)[O-])=N2)C2=CC=CS2)CC1	REAL300013285318	0	47	0.0	-75.09	373.22	10.22	-64.87
CC1CC[NH+](C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C2=CC=CS2)CC1	REAL300013285319	0	50	0.0	-100.13	402.28	11.42	-88.71
CC[NH+](CC)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=CC=C1Cl	REAL300013285322	0	46	0.0	-67.83	348.74	10.15	-57.68
CC[NH+](CC)C(CNC1=NC=CC=C1C(=O)[O-])C1=CC=CC=C1Cl	REAL300013285323	0	46	0.0	-42.47	344.92	10.60	-31.87
CC[NH+](CC)C(CNC1=NC=C(C(=O)[O-])C=C1Cl)C1=CC=CC=C1Cl	REAL300013285324	0	46	0.0	-65.60	365.06	10.97	-54.63
CC[NH+](CC)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=CC=C1Cl	REAL300013285325	0	46	0.0	-67.83	348.74	10.15	-57.68
CC[NH+](CC)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=CC=C1Cl	REAL300013285326	0	46	0.0	-67.83	348.74	10.15	-57.68
CC[NH+](CC)C(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1=CC=CC=C1Cl	REAL300013285327	0	49	0.0	-92.01	378.25	11.32	-80.69
C[NH+](C)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=CC(F)=C1	REAL300013285333	0	40	0.0	-74.90	322.14	9.45	-65.45
C[NH+](C)C(CNC1=NC=CC=C1C(=O)[O-])C1=CC=CC(F)=C1	REAL300013285334	0	40	0.0	-48.94	317.70	9.94	-39.00
C[NH+](C)C(CNC1=NC=C(C(=O)[O-])C=C1Cl)C1=CC=CC(F)=C1	REAL300013285335	0	40	0.0	-71.06	340.28	9.55	-61.51
C[NH+](C)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=CC(F)=C1	REAL300013285336	0	40	0.0	-74.90	322.14	9.45	-65.45
C[NH+](C)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=CC(F)=C1	REAL300013285337	0	40	0.0	-74.90	322.14	9.45	-65.45
C[NH+](C)C(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1=CC=CC(F)=C1	REAL300013285338	0	43	0.0	-114.01	353.62	9.89	-104.12
COC1=CC=CC(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](C)C)=C1	REAL300013285339	0	44	0.0	-85.77	347.84	7.92	-77.85
COC1=CC=CC(C(CNC2=NC=CC=C2C(=O)[O-])[NH+](C)C)=C1	REAL300013285340	0	44	0.0	-66.85	348.22	8.44	-58.41
COC1=CC=CC(C(CNC2=NC=C(C(=O)[O-])C=C2Cl)[NH+](C)C)=C1	REAL300013285341	0	44	0.0	-68.73	363.37	8.80	-59.93
COC1=CC=CC(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](C)C)=C1	REAL300013285342	0	44	0.0	-85.77	347.84	7.92	-77.85
COC1=CC=CC(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](C)C)=C1	REAL300013285343	0	44	0.0	-85.77	347.84	7.92	-77.85
COC1=CC=CC(C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[NH+](C)C)=C1	REAL300013285344	0	47	0.0	-110.60	376.70	9.12	-101.48
O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)=N1	REAL300013285345	1	41	0.0	-79.81	341.28	9.64	-70.17
O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)=N1	REAL300013285348	1	41	0.0	-79.81	341.28	9.64	-70.17
O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)=N1	REAL300013285349	1	41	0.0	-79.81	341.28	9.64	-70.17
O=C([O-])C1=CC2=C(N3CC[NH+](CC4=CC=C(Cl)C=C4)CC3)N=CNC2=N1	REAL300013285350	1	44	0.0	-108.69	365.95	11.42	-97.27
CC[NH+](CC)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013285351	0	46	0.0	-65.75	344.90	9.65	-56.10
CC[NH+](CC)C(CNC1=NC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300013285352	0	46	0.0	-40.38	332.29	10.36	-30.02
CC[NH+](CC)C(CNC1=NC=C(C(=O)[O-])C=C1Cl)C1=CC=CC=C1	REAL300013285353	0	46	0.0	-62.17	353.05	10.67	-51.50
CC[NH+](CC)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013285354	0	46	0.0	-65.75	344.90	9.65	-56.10
CC[NH+](CC)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013285355	0	46	0.0	-65.75	344.90	9.65	-56.10
CC[NH+](CC)C(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1=CC=CC=C1	REAL300013285356	0	49	0.0	-92.24	366.56	10.96	-81.28
O=C([O-])C1=CC=CC(NCC(C2=CC=CC=C2)[NH+]2CCCC2)=N1	REAL300013285357	0	44	0.0	-78.81	345.92	9.83	-68.98
O=C([O-])C1=CC=CN=C1NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300013285358	0	44	0.0	-57.79	345.43	10.37	-47.42
O=C([O-])C1=CN=C(NCC(C2=CC=CC=C2)[NH+]2CCCC2)C(Cl)=C1	REAL300013285359	0	44	0.0	-64.34	361.43	10.69	-53.65
O=C([O-])C1=CC=CC(NCC(C2=CC=CC=C2)[NH+]2CCCC2)=N1	REAL300013285360	0	44	0.0	-78.81	345.92	9.83	-68.98
O=C([O-])C1=CC2=C(NCC(C3=CC=CC=C3)[NH+]3CCCC3)N=CNC2=N1	REAL300013285361	0	47	0.0	-103.47	374.14	11.04	-92.43
O=C([O-])C1=CC=CC(NCC(C2=CC=CS2)[NH+]2CCCC2)=N1	REAL300013285362	0	41	0.0	-65.90	328.20	8.42	-57.48
O=C([O-])C1=CC=CN=C1NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013285363	0	41	0.0	-39.72	323.20	8.92	-30.80
O=C([O-])C1=CN=C(NCC(C2=CC=CS2)[NH+]2CCCC2)C(Cl)=C1	REAL300013285364	0	41	0.0	-61.82	343.57	9.31	-52.51
O=C([O-])C1=CC=CC(NCC(C2=CC=CS2)[NH+]2CCCC2)=N1	REAL300013285365	0	41	0.0	-65.90	328.20	8.42	-57.48
O=C([O-])C1=CC=CC(NCC(C2=CC=CS2)[NH+]2CCCC2)=N1	REAL300013285366	0	41	0.0	-65.90	328.20	8.42	-57.48
O=C([O-])C1=CC2=C(NCC(C3=CC=CS3)[NH+]3CCCC3)N=CNC2=N1	REAL300013285367	0	44	0.0	-90.94	356.58	9.66	-81.28
CC1C[NH+](C(C)(C)CNC2=CC=CC(C(=O)[O-])=N2)CC(C)O1	REAL300013285377	0	47	0.0	-69.39	346.71	7.05	-62.34
CC1C[NH+](C(C)(C)CNC2=NC=CC=C2C(=O)[O-])CC(C)O1	REAL300013285378	0	47	0.0	-46.32	339.60	7.58	-38.74
CC1C[NH+](C(C)(C)CNC2=CC=CC(C(=O)[O-])=N2)CC(C)O1	REAL300013285380	0	47	0.0	-69.39	346.71	7.05	-62.34
CC1C[NH+](C(C)(C)CNC2=CC=CC(C(=O)[O-])=N2)CC(C)O1	REAL300013285381	0	47	0.0	-69.39	346.71	7.05	-62.34
CC1C[NH+](C(C)(C)CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC(C)O1	REAL300013285382	0	50	0.0	-94.65	368.48	8.19	-86.46
O=C([O-])C1=CC=CC(NCC2=CC=C(N3CCOCC3)[NH+]=C2)=N1	REAL300013285383	1	41	0.0	-73.12	331.47	5.06	-68.06
O=C([O-])C1=CC=CN=C1NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300013285384	1	41	0.0	-51.04	327.51	5.60	-45.44
O=C([O-])C1=CN=C(NCC2=CC=C(N3CCOCC3)[NH+]=C2)C(Cl)=C1	REAL300013285385	1	41	0.0	-63.96	347.24	6.13	-57.83
O=C([O-])C1=CC=CC(NCC2=CC=C(N3CCOCC3)[NH+]=C2)=N1	REAL300013285386	1	41	0.0	-73.12	331.47	5.06	-68.06
O=C([O-])C1=CC=CC(NCC2=CC=C(N3CCOCC3)[NH+]=C2)=N1	REAL300013285387	1	41	0.0	-73.12	331.47	5.06	-68.06
O=C([O-])C1=CC2=C(NCC3=CC=C(N4CCOCC4)[NH+]=C3)N=CNC2=N1	REAL300013285388	1	44	0.0	-97.63	360.15	6.26	-91.37
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=NC3=CC=CC=C3N2)CC1	REAL300013285390	0	42	0.0	-53.05	335.46	9.27	-43.78
CC1=CC=CC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1C	REAL300013285402	0	44	0.0	-50.28	339.55	9.82	-40.46
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)NCCC2=CC=CS2)CC1	REAL300013285414	0	46	0.0	-63.43	381.37	8.89	-54.54
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013285426	0	38	0.0	-50.21	315.42	8.41	-41.80
CC[NH+](CC)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CSC=C1	REAL300013285441	0	43	0.0	-78.28	339.98	8.61	-69.67
CC[NH+](CC)C(CNC1=NC=CC=C1C(=O)[O-])C1=CSC=C1	REAL300013285442	0	43	0.0	-46.49	336.77	9.61	-36.88
CC[NH+](CC)C(CNC1=NC=C(C(=O)[O-])C=C1Cl)C1=CSC=C1	REAL300013285443	0	43	0.0	-61.26	353.24	9.41	-51.85
CC[NH+](CC)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CSC=C1	REAL300013285444	0	43	0.0	-78.28	339.98	8.61	-69.67
CC[NH+](CC)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CSC=C1	REAL300013285445	0	43	0.0	-78.28	339.98	8.61	-69.67
CC[NH+](CC)C(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1=CSC=C1	REAL300013285446	0	46	0.0	-102.87	369.44	9.84	-93.03
COCC[N@H+](C)CCCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013285453	0	40	0.0	-68.05	334.54	6.53	-61.52
COCC[N@@H+](C)CCCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013285453	1	40	0.0	-68.34	334.55	6.55	-61.79
COCC[N@H+](C)CCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013285454	0	43	0.0	-102.29	347.71	6.87	-95.42
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CC1=CC=CC(C[NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013285460	0	44	0.0	-71.32	345.91	9.80	-61.52
CC1=CC=CC(C[NH+]2CCN(C3=NC=CC=C3C(=O)[O-])CC2)=C1	REAL300013285461	0	44	0.0	-54.90	345.88	10.59	-44.31
CC1=CC=CC(C[NH+]2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)=C1	REAL300013285462	1	44	0.0	-66.12	364.00	10.50	-55.62
CC1=CC=CC(C[NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013285463	0	44	0.0	-71.32	345.91	9.80	-61.52
CC1=CC=CC(C[NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013285464	0	44	0.0	-71.32	345.91	9.80	-61.52
CC1=CC=CC(C[NH+]2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)=C1	REAL300013285465	0	47	0.0	-103.25	370.91	11.63	-91.62
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CC1CCC[N@@H+](CC2=CC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013285479	1	50	0.0	-67.20	371.49	11.92	-55.28
CC1CCC[N@H+](CC2=CC=CC=C2CNC2=NC=CC=C2C(=O)[O-])C1	REAL300013285480	0	50	0.0	-49.89	379.73	11.80	-38.09
CC1CCC[N@@H+](CC2=CC=CC=C2CNC2=NC=CC=C2C(=O)[O-])C1	REAL300013285480	1	50	0.0	-50.53	370.80	11.65	-38.88
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CC1CCC[N@@H+](CC2=CC=CC=C2CNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013285481	1	50	0.0	-61.90	390.91	11.89	-50.01
CC1CCC[N@H+](CC2=CC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013285482	0	50	0.0	-70.20	383.70	11.25	-58.95
CC1CCC[N@@H+](CC2=CC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013285482	1	50	0.0	-67.20	371.49	11.92	-55.28
CC1CCC[N@H+](CC2=CC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013285483	0	50	0.0	-70.20	383.70	11.25	-58.95
CC1CCC[N@@H+](CC2=CC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013285483	1	50	0.0	-67.20	371.49	11.92	-55.28
CC1CCC[N@H+](CC2=CC=CC=C2CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013285484	0	53	0.0	-95.29	412.37	12.46	-82.83
CC1CCC[N@@H+](CC2=CC=CC=C2CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013285484	1	53	0.0	-93.05	404.04	12.23	-80.82
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013285485	0	50	0.0	-68.63	372.80	10.85	-57.78
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013285485	1	50	0.0	-64.76	375.75	11.60	-53.16
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC1=NC=CC=C1C(=O)[O-]	REAL300013285486	0	50	0.0	-48.71	368.83	11.39	-37.32
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC1=NC=CC=C1C(=O)[O-]	REAL300013285486	1	50	0.0	-49.23	375.63	12.12	-37.11
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013285487	0	50	0.0	-57.98	388.30	11.71	-46.27
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013285487	1	50	0.0	-57.60	391.32	12.43	-45.17
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013285488	0	50	0.0	-68.63	372.80	10.85	-57.78
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013285488	1	50	0.0	-64.76	375.75	11.60	-53.16
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013285489	0	50	0.0	-68.63	372.80	10.85	-57.78
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013285489	1	50	0.0	-64.76	375.75	11.60	-53.16
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013285490	0	53	0.0	-93.82	401.40	12.06	-81.76
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013285490	1	53	0.0	-89.82	404.69	12.79	-77.03
O=C([O-])C1=CC=C[NH+]=C1N1CCN(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300013285497	0	41	0.0	-55.55	343.27	6.65	-48.90
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CN(CCOC1=CC=CC(Cl)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013285522	0	36	0.0	-55.33	312.52	9.15	-46.18
CS(=O)(=O)NCC1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013285535	0	40	0.0	-56.47	328.65	3.80	-52.67
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)COC2=CC=C(F)C=C2)CC1	REAL300013285552	0	44	0.0	-55.75	361.73	9.63	-46.12
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O=C([O-])C1=CC=CC(NCC(C2=CC=CC=C2)[N@H+]2CCC3=C(C=CS3)C2)=N1	REAL300013285566	1	48	0.0	-81.26	388.28	11.71	-69.55
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O=C([O-])C1=CC=CN=C1NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300013285567	1	48	0.0	-44.73	380.62	12.85	-31.88
O=C([O-])C1=CC=CC(NCC(C2=CC=CC=C2)[N@@H+]2CCC3=C(C=CS3)C2)=N1	REAL300013285568	0	48	0.0	-81.11	389.54	11.75	-69.36
O=C([O-])C1=CC=CC(NCC(C2=CC=CC=C2)[N@H+]2CCC3=C(C=CS3)C2)=N1	REAL300013285568	1	48	0.0	-81.26	388.28	11.71	-69.55
O=C([O-])C1=CC=CC(NCC(C2=CC=CC=C2)[N@@H+]2CCC3=C(C=CS3)C2)=N1	REAL300013285569	0	48	0.0	-81.11	389.54	11.75	-69.36
O=C([O-])C1=CC=CC(NCC(C2=CC=CC=C2)[N@H+]2CCC3=C(C=CS3)C2)=N1	REAL300013285569	1	48	0.0	-81.26	388.28	11.71	-69.55
CC1CCCC[N@@H+]1CCCCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013285570	0	46	0.0	-66.01	364.04	9.82	-56.19
CC1CCCC[N@H+]1CCCCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013285570	1	46	0.0	-66.05	364.03	9.81	-56.24
CC1CCCC[N@@H+]1CCCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013285571	0	49	0.0	-99.78	377.22	10.16	-89.62
CC1CCCC[N@H+]1CCCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013285571	1	49	0.0	-99.80	377.21	10.16	-89.64
COC1=CC=C(CCCN(C)C2=[NH+]C=CC=C2C(=O)[O-])C=C1	REAL300013285589	0	42	0.0	-53.46	339.11	9.60	-43.86
CC1CC[NH+](C(CNC2=CC=CC(C(=O)[O-])=N2)C2=CC=CC=C2)CC1	REAL300013285594	0	50	0.0	-78.39	380.63	11.11	-67.28
CC1CC[NH+](C(CNC2=NC=CC=C2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013285595	0	50	0.0	-43.23	375.05	12.29	-30.94
CC1CC[NH+](C(CNC2=NC=C(C(=O)[O-])C=C2Cl)C2=CC=CC=C2)CC1	REAL300013285596	0	50	0.0	-64.35	396.59	11.99	-52.36
CC1CC[NH+](C(CNC2=CC=CC(C(=O)[O-])=N2)C2=CC=CC=C2)CC1	REAL300013285597	0	50	0.0	-78.39	380.63	11.11	-67.28
CC1CC[NH+](C(CNC2=CC=CC(C(=O)[O-])=N2)C2=CC=CC=C2)CC1	REAL300013285598	0	50	0.0	-78.39	380.63	11.11	-67.28
CC1CC[NH+](C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C2=CC=CC=C2)CC1	REAL300013285599	0	53	0.0	-103.69	409.77	12.31	-91.38
N#CC1=CC=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)N=C1	REAL300013285601	0	38	0.0	-54.25	317.14	7.70	-46.55
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)C2=CC=C(Cl)C=C2)CC1	REAL300013285607	0	41	0.0	-62.71	346.65	10.88	-51.83
C[NH+](C)C(CNC1=NC=C(C(=O)[O-])C=C1Cl)C1CCCCC1	REAL300013285618	0	46	0.0	-68.60	344.29	10.58	-58.02
C[NH+](C)C(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CCCCC1	REAL300013285619	0	49	0.0	-100.45	357.65	10.96	-89.49
O=C([O-])C1=CC=CC(NCC(O)C[N@@H+]2CCC3=CC=CC=C3C2)=N1	REAL300013285624	0	45	0.0	-85.55	358.23	6.66	-78.89
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O=C([O-])C1=CC=CN=C1NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL300013285625	0	45	0.0	-64.84	354.26	7.22	-57.62
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O=C([O-])C1=CN=C(NCC(O)C[N@H+]2CCC3=CC=CC=C3C2)C(Cl)=C1	REAL300013285626	1	45	0.0	-72.68	373.46	7.57	-65.11
O=C([O-])C1=CC=CC(NCC(O)C[N@@H+]2CCC3=CC=CC=C3C2)=N1	REAL300013285627	0	45	0.0	-85.55	358.23	6.66	-78.89
O=C([O-])C1=CC=CC(NCC(O)C[N@H+]2CCC3=CC=CC=C3C2)=N1	REAL300013285627	1	45	0.0	-86.40	358.36	6.63	-79.77
O=C([O-])C1=CC=CC(NCC(O)C[N@@H+]2CCC3=CC=CC=C3C2)=N1	REAL300013285628	0	45	0.0	-85.55	358.23	6.66	-78.89
O=C([O-])C1=CC=CC(NCC(O)C[N@H+]2CCC3=CC=CC=C3C2)=N1	REAL300013285628	1	45	0.0	-86.40	358.36	6.63	-79.77
O=C([O-])C1=CC2=C(NCC(O)C[N@@H+]3CCC4=CC=CC=C4C3)N=CNC2=N1	REAL300013285629	0	48	0.0	-109.90	386.90	7.87	-102.03
O=C([O-])C1=CC2=C(NCC(O)C[N@H+]3CCC4=CC=CC=C4C3)N=CNC2=N1	REAL300013285629	1	48	0.0	-109.98	386.64	7.90	-102.08
CCCC1=CC=C(S(=O)(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013285649	0	50	0.0	-54.97	407.70	8.86	-46.11
CC1=CC=CC=C1OCCCN(C)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013285653	0	42	0.0	-52.99	338.16	9.86	-43.13
CC1=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C2=CC=CC=C2N1	REAL300013285659	0	46	0.0	-56.91	356.83	10.94	-45.97
CC1(C)C[N@H+](CCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCO1	REAL300013285689	1	44	0.0	-104.68	343.80	7.05	-97.63
CC1(C)C[N@@H+](CCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCO1	REAL300013285689	1	44	0.0	-104.68	343.81	7.06	-97.62
CN(CC1=CC=CC=C1C1=CC=CC=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013285701	0	42	0.0	-46.78	338.38	12.51	-34.27
COCCC[NH+]1CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013285730	0	44	0.0	-71.15	358.62	7.62	-63.53
COCCC[NH+]1CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013285731	0	47	0.0	-107.93	371.79	7.96	-99.97
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CC(C)[NH+](CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C(C)C	REAL300013285739	0	45	0.0	-98.36	336.48	8.23	-90.13
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COC1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+]2CCCC2)C=C1	REAL300013285753	0	48	0.0	-82.43	374.81	9.12	-73.31
COC1=CC=C(C(CNC2=NC=CC=C2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013285754	0	48	0.0	-61.97	374.28	9.65	-52.32
COC1=CC=C(C(CNC2=NC=C(C(=O)[O-])C=C2Cl)[NH+]2CCCC2)C=C1	REAL300013285755	0	48	0.0	-67.52	390.97	9.99	-57.53
COC1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+]2CCCC2)C=C1	REAL300013285756	0	48	0.0	-82.43	374.81	9.12	-73.31
COC1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+]2CCCC2)C=C1	REAL300013285757	0	48	0.0	-82.43	374.81	9.12	-73.31
COC1=CC=C(C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[NH+]2CCCC2)C=C1	REAL300013285758	0	51	0.0	-108.03	403.93	10.32	-97.71
O=C([O-])C1=CC=CC(NCC2([NH+]3CCCCC3)CCCCC2)=N1	REAL300013285759	0	50	0.0	-67.78	347.95	9.53	-58.25
O=C([O-])C1=CC=CN=C1NCC1([NH+]2CCCCC2)CCCCC1	REAL300013285760	0	50	0.0	-47.34	338.99	10.46	-36.88
O=C([O-])C1=CN=C(NCC2([NH+]3CCCCC3)CCCCC2)C(Cl)=C1	REAL300013285761	0	50	0.0	-61.04	363.49	10.39	-50.65
O=C([O-])C1=CC=CC(NCC2([NH+]3CCCCC3)CCCCC2)=N1	REAL300013285762	0	50	0.0	-67.78	347.95	9.53	-58.25
O=C([O-])C1=CC=CC(NCC2([NH+]3CCCCC3)CCCCC2)=N1	REAL300013285763	0	50	0.0	-67.78	347.95	9.53	-58.25
O=C([O-])C1=CC2=C(NCC3([NH+]4CCCCC4)CCCCC3)N=CNC2=N1	REAL300013285764	0	53	0.0	-94.79	373.28	11.26	-83.53
CC1=CC=C(C(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1F	REAL300013285768	0	43	0.0	-49.38	347.95	9.30	-40.08
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CC1CCC[N@H+](CC2=CC=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C=C2)C1	REAL300013286159	0	53	0.0	-99.56	418.62	12.31	-87.25
CC1CCC[N@@H+](CC2=CC=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C=C2)C1	REAL300013286159	1	53	0.0	-99.57	418.63	12.31	-87.26
CC1CCC[N@H+](CCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013286160	0	43	0.0	-102.32	338.38	8.71	-93.61
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COC1=CC=C(C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[NH+]2CCCCC2)C=C1	REAL300013286179	0	54	0.0	-107.33	418.41	11.00	-96.33
C[NH+](C)C(CNC1=NC=C(C(=O)[O-])C=C1Cl)C1=CC=CS1	REAL300013286180	0	37	0.0	-64.55	318.34	8.23	-56.32
C[NH+](C)C(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1=CC=CS1	REAL300013286181	0	40	0.0	-103.23	340.04	8.94	-94.29
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CC1CC[NH+](CC2CCCN(C3=NC=C(C(=O)[O-])C=C3Cl)C2)CC1	REAL300013286218	0	50	0.0	-62.14	385.31	10.65	-51.49
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CC1CC[NH+](CC2CCCN(C3=CC=CC(C(=O)[O-])=N3)C2)CC1	REAL300013286220	0	50	0.0	-73.06	367.74	9.62	-63.44
CC1CC[NH+](CC2CCCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)CC1	REAL300013286221	0	53	0.0	-106.67	392.28	11.91	-94.76
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C[NH+]1CCN(C2=NC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013286225	0	45	0.0	-68.75	361.50	7.38	-61.37
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O=C([O-])C1=CN=C(NCC2=CC=CC=C2C[NH+]2CCCC2)C(Cl)=C1	REAL300013286253	0	44	0.0	-59.73	362.09	10.82	-48.91
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2C[NH+]2CCCC2)=N1	REAL300013286254	0	44	0.0	-70.54	346.56	9.93	-60.61
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2C[NH+]2CCCC2)=N1	REAL300013286255	0	44	0.0	-70.54	346.56	9.93	-60.61
O=C([O-])C1=CC2=C(NCC3=CC=CC=C3C[NH+]3CCCC3)N=CNC2=N1	REAL300013286256	0	47	0.0	-95.71	375.24	11.14	-84.57
CC(CNC1=NC=C(C(=O)[O-])C=C1Cl)[N@@H+]1CCCC(C)C1	REAL300013286257	0	43	0.0	-63.14	330.48	9.26	-53.88
CC(CNC1=NC=C(C(=O)[O-])C=C1Cl)[N@H+]1CCCC(C)C1	REAL300013286257	1	43	0.0	-63.35	330.53	9.28	-54.07
CC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[N@@H+]1CCCC(C)C1	REAL300013286258	0	46	0.0	-96.87	343.70	9.60	-87.27
CC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[N@H+]1CCCC(C)C1	REAL300013286258	1	46	0.0	-95.12	348.79	9.28	-85.84
CC1CC[NH+](CCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013286259	0	43	0.0	-102.91	337.92	8.69	-94.22
C[NH+]1CCN(C(=O)C2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013286260	1	48	0.0	-90.02	364.01	7.60	-82.42
CN1CCN(C(=O)C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)CC1	REAL300013286261	0	48	0.0	-64.04	363.09	6.53	-57.51
C[NH+]1CCN(C(=O)C2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)CC1	REAL300013286262	1	48	0.0	-76.87	381.80	8.26	-68.61
C[NH+]1CCN(C(=O)C2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013286263	1	48	0.0	-90.02	364.01	7.60	-82.42
C[NH+]1CCN(C(=O)C2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013286264	1	48	0.0	-90.02	364.01	7.60	-82.42
C[NH+]1CCN(C(=O)C2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)CC1	REAL300013286265	1	51	0.0	-104.31	389.82	9.39	-94.92
O=C([O-])C1=CC=CC(N2CC[NH+](CCCC3=NC(C4=CC=CS4)=NO3)CC2)=N1	REAL300013286272	0	49	0.0	-82.19	410.30	8.40	-73.79
O=C([O-])C1=CC=CN=C1N1CC[NH+](CCCC2=NC(C3=CC=CS3)=NO2)CC1	REAL300013286273	0	49	0.0	-66.72	410.16	9.24	-57.48
O=C([O-])C1=CC=CC(N2CC[NH+](CCCC3=NC(C4=CC=CS4)=NO3)CC2)=N1	REAL300013286274	0	49	0.0	-82.19	410.30	8.40	-73.79
O=C([O-])C1=CC=CC(N2CC[NH+](CCCC3=NC(C4=CC=CS4)=NO3)CC2)=N1	REAL300013286275	0	49	0.0	-82.19	410.30	8.40	-73.79
CC(C[NH+]1CCOCC1)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013286276	1	41	0.0	-99.71	327.45	6.82	-92.89
CCC1=C2NC=C(C3CCN(C4=[NH+]C=CC=C4C(=O)[O-])CC3)C2=CC=C1	REAL300013286297	0	49	0.0	-50.17	385.10	12.01	-38.16
CC[NH+](CC)CC1=CC=CC(CNC2=CC=CC(C(=O)[O-])=N2)=C1	REAL300013286309	0	46	0.0	-72.98	363.73	10.02	-62.96
CC[NH+](CC)CC1=CC=CC(CNC2=NC=CC=C2C(=O)[O-])=C1	REAL300013286310	0	46	0.0	-62.55	353.49	10.22	-52.33
CC[NH+](CC)CC1=CC=CC(CNC2=NC=C(C(=O)[O-])C=C2Cl)=C1	REAL300013286311	0	46	0.0	-67.44	372.94	10.55	-56.89
CC[NH+](CC)CC1=CC=CC(CNC2=CC=CC(C(=O)[O-])=N2)=C1	REAL300013286312	0	46	0.0	-72.98	363.73	10.02	-62.96
CC[NH+](CC)CC1=CC=CC(CNC2=CC=CC(C(=O)[O-])=N2)=C1	REAL300013286313	0	46	0.0	-72.98	363.73	10.02	-62.96
CC[NH+](CC)CC1=CC=CC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)=C1	REAL300013286314	0	49	0.0	-98.71	386.16	10.89	-87.82
O=C([O-])C1=CN=C(N2CCC([NH+]3CCCCC3)CC2)C(Cl)=C1	REAL300013286315	0	44	0.0	-64.42	342.04	9.27	-55.15
O=C([O-])C1=CC2=C(N3CCC([NH+]4CCCCC4)CC3)N=CNC2=N1	REAL300013286316	0	47	0.0	-98.87	348.89	10.40	-88.47
O=C([O-])C1=CC=CC(NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)=N1	REAL300013286345	0	46	0.0	-86.66	363.58	7.83	-78.83
O=C([O-])C1=CC=CN=C1NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300013286346	0	46	0.0	-60.32	360.13	8.43	-51.89
O=C([O-])C1=CN=C(NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C(Cl)=C1	REAL300013286347	1	46	0.0	-74.98	379.08	8.70	-66.28
O=C([O-])C1=CC=CC(NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)=N1	REAL300013286348	0	46	0.0	-86.66	363.58	7.83	-78.83
O=C([O-])C1=CC=CC(NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)=N1	REAL300013286349	0	46	0.0	-86.66	363.58	7.83	-78.83
O=C([O-])C1=CC2=C(NCC[NH+]3CCN(C4=CC=C(F)C=C4)CC3)N=CNC2=N1	REAL300013286350	0	49	0.0	-111.65	392.26	9.04	-102.61
CC1=CC=C(C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[NH+]2CCOCC2)C=C1	REAL300013286366	1	51	0.0	-105.83	401.27	9.95	-95.88
CN(CC1=CC=CC(C(F)(F)F)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013286368	0	35	0.0	-56.06	304.23	9.69	-46.37
O=C([O-])C1=CC=CC(N2CC[NH+](CC=CC3=CC=CC=C3)CC2)=N1	REAL300013286372	1	45	0.0	-73.19	358.26	10.56	-62.63
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O=C([O-])C1=CC=C[NH+]=C1N1CCC(N2C(=O)NC3=CC=CC=C32)CC1	REAL300013286389	0	43	0.0	-68.96	342.00	8.78	-60.18
CC1=CC=C(C(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)S1	REAL300013286409	0	40	0.0	-50.27	333.50	8.37	-41.90
COC1=CC(CN(C)C2=[NH+]C=CC=C2C(=O)[O-])=CC=C1SC	REAL300013286462	0	40	0.0	-54.10	334.41	9.04	-45.06
O=C([O-])C1=CC=CC(NCC2CCCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300013286471	0	47	0.0	-77.67	355.38	10.02	-67.65
O=C([O-])C1=CC=CC(NCC2CCCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300013286471	1	47	0.0	-77.84	355.63	10.02	-67.82
O=C([O-])C1=CC=CN=C1NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013286472	0	47	0.0	-51.13	355.91	11.25	-39.88
O=C([O-])C1=CC=CN=C1NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013286472	1	47	0.0	-51.46	355.91	11.25	-40.21
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CC1=NOC(C)=C1C[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013286868	1	46	0.0	-104.81	364.25	9.50	-95.31
COC1=CC=CC=C1N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013286870	0	42	0.0	-49.32	327.17	7.47	-41.85
O=C([O-])C1=CC=CC(N2CC[NH+](C(C3=CC=CC=C3)C3=CC=CC=C3)CC2)=N1	REAL300013286875	0	51	0.0	-68.06	395.30	12.74	-55.32
O=C([O-])C1=CC=CN=C1N1CC[NH+](C(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300013286876	0	51	0.0	-49.30	395.60	13.60	-35.70
O=C([O-])C1=CC=CC(N2CC[NH+](C(C3=CC=CC=C3)C3=CC=CC=C3)CC2)=N1	REAL300013286877	0	51	0.0	-68.06	395.30	12.74	-55.32
O=C([O-])C1=CC=CC(N2CC[NH+](C(C3=CC=CC=C3)C3=CC=CC=C3)CC2)=N1	REAL300013286878	0	51	0.0	-68.06	395.30	12.74	-55.32
O=C([O-])C1=CN=C(N2CC[NH+](CC3=CC=CC=C3)CC2)C(Cl)=C1	REAL300013286879	1	41	0.0	-66.19	342.59	9.81	-56.38
O=C([O-])C1=CC2=C(N3CC[NH+](CC4=CC=CC=C4)CC3)N=CNC2=N1	REAL300013286880	0	44	0.0	-103.15	349.52	10.95	-92.20
CC[NH+](CC)CCCC(C)NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013286887	0	45	0.0	-65.62	361.12	9.78	-55.84
CC[NH+](CC)CCCC(C)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013286888	0	48	0.0	-94.17	369.83	9.83	-84.34
CC(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013286908	0	49	0.0	-74.09	367.92	8.42	-65.67
CC(CNC1=NC=CC=C1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013286909	0	49	0.0	-46.44	363.86	8.92	-37.52
CC(CNC1=NC=C(C(=O)[O-])C=C1Cl)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013286910	1	49	0.0	-67.52	383.21	9.22	-58.30
CC(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013286911	0	49	0.0	-74.09	367.92	8.42	-65.67
CC(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013286912	0	49	0.0	-74.09	367.92	8.42	-65.67
CC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013286913	0	52	0.0	-99.86	396.65	9.61	-90.25
CC1=CC=C(C(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013286915	0	43	0.0	-53.69	340.40	9.19	-44.50
O=C([O-])C1=CN=C(NCC(O)C[NH+]2CCCCC2)C(Cl)=C1	REAL300013286928	0	41	0.0	-68.02	335.40	5.43	-62.59
O=C([O-])C1=CC2=C(NCC(O)C[NH+]3CCCCC3)N=CNC2=N1	REAL300013286929	0	44	0.0	-104.75	348.84	5.71	-99.04
O=C([O-])C1COCCN1C1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013286939	0	39	0.0	-46.08	307.46	5.73	-40.35
O=C([O-])C1COCCN1C1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013286939	1	39	0.0	-33.18	310.80	5.22	-27.96
O=C([O-])C1COCCN1C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013286945	0	45	0.0	-48.45	339.75	2.69	-45.76
O=C([O-])C1COCCN1C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013286945	1	45	0.0	-33.88	344.57	2.96	-30.92
COC1=CC2=NC(N3CCOCC3C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013286957	0	42	0.0	-47.46	331.00	3.10	-44.36
O=C([O-])C1COCCN1C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013286961	1	36	0.0	-44.09	301.60	6.16	-37.93
O=C([O-])C1COCCN1C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013287001	1	33	0.0	-42.76	284.34	5.77	-36.99
COC1=CC=CC2=C(N3CCOCC3C(=O)[O-])C=C(C)[NH+]=C12	REAL300013287025	1	40	0.0	-36.63	312.74	5.14	-31.49
O=C([O-])C1COCCN1C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013287037	0	45	0.0	-33.85	342.89	2.14	-31.71
O=C([O-])C1COCCN1C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013287037	1	45	0.0	-43.31	339.74	2.93	-40.38
CN1CCN(C2=CC(N3CCOCC3C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013287047	0	42	0.0	-40.44	328.12	3.32	-37.12
CN1CCN(C2=CC(N3CCOCC3C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013287047	1	42	0.0	-53.32	324.84	3.37	-49.95
O=C([O-])C1COCCN1C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013287064	0	44	0.0	-49.80	352.92	8.05	-41.75
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCOCC2C(=O)[O-])=N1	REAL300013287076	0	45	0.0	-43.14	356.53	4.19	-38.95
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCOCC2C(=O)[O-])=N1	REAL300013287076	1	45	0.0	-36.27	356.91	4.27	-32.00
CC(C)NC1=NC(NCCO)=NC(N2CCOCC2C(=O)[O-])=[NH+]1	REAL300013287076	1	45	0.0	-36.00	356.21	4.25	-31.75
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCOCC2C(=O)[O-])=N1	REAL300013287083	0	47	0.0	-42.01	358.82	8.45	-33.56
CCNC1=NC(NC(C)(C)C)=NC(N2CCOCC2C(=O)[O-])=[NH+]1	REAL300013287083	1	47	0.0	-35.37	358.11	8.49	-26.88
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCOCC2C(=O)[O-])=N1	REAL300013287083	1	47	0.0	-35.19	359.72	8.56	-26.63
CC(O)C1CCN(C2=CC(N3CCOCC3C(=O)[O-])=NC=[NH+]2)C1	REAL300013287101	0	45	0.0	-47.20	340.44	2.49	-44.71
CC(O)C1CCN(C2=CC(N3CCOCC3C(=O)[O-])=[NH+]C=N2)C1	REAL300013287101	1	45	0.0	-37.22	342.05	3.30	-33.92
CCCC1=CC2=C(N3CCOCC3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013287104	0	42	0.0	-44.56	327.45	7.35	-37.21
CC(C)OC1=CC2=C(N3CCOCC3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013287106	0	43	0.0	-49.62	332.60	6.04	-43.58
C[NH+](C)CC1=NC(N2CCOCC2C(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013287189	1	50	0.0	-45.37	398.83	10.05	-35.32
O=C([O-])C1COCCN1C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013287190	1	33	0.0	-46.51	284.35	5.76	-40.75
CCOC1=CC2=[NH+]C=CC(N3CCOCC3C(=O)[O-])=C2C=C1OCC	REAL300013287202	0	47	0.0	-46.37	365.20	6.24	-40.13
COC1=CC2=[NH+]C=CC(N3CCOCC3C(=O)[O-])=C2C=C1Br	REAL300013287229	0	37	0.0	-46.89	312.82	5.13	-41.76
CC1(C)CCCN(C2=CC=[NH+]C(N3CCOCC3C(=O)[O-])=N2)C1	REAL300013287236	0	47	0.0	-43.86	347.02	6.62	-37.24
COC1=CC2=[NH+]C=CC(N3CCOCC3C(=O)[O-])=C2C=C1OC	REAL300013287244	0	41	0.0	-46.43	321.49	4.40	-42.03
O=C([O-])C1COCCN1C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013287260	0	42	0.0	-46.42	330.82	6.27	-40.15
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCOCC2C(=O)[O-])=N1	REAL300013287278	1	41	0.0	-44.22	326.30	6.18	-38.04
CC1=[NH+]C=CC(N2CCOCC2C(=O)[O-])=C1Br	REAL300013287280	0	30	0.0	-44.42	255.89	4.08	-40.34
CN(C1=CC=[NH+]C(N2CCOCC2C(=O)[O-])=N1)C1CCCCC1	REAL300013287282	0	47	0.0	-49.55	345.03	8.80	-40.75
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCOCC2C(=O)[O-])=[NH+]1	REAL300013287285	0	44	0.0	-41.90	349.50	7.62	-34.28
CN(C1=[NH+]C=CC(N2CCOCC2C(=O)[O-])=N1)C1CCCCC1	REAL300013287288	0	47	0.0	-48.63	348.24	8.87	-39.76
O=C([O-])C1COCCN1C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013287312	0	37	0.0	-43.77	308.95	4.96	-38.81
CC1=C(Cl)C2=[NH+]C=CC(N3CCOCC3C(=O)[O-])=C2C=C1	REAL300013287317	1	36	0.0	-37.76	296.07	6.30	-31.46
CC1(C(=O)[O-])CCN(C2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013287324	0	41	0.0	-58.04	321.64	7.69	-50.35
CC1(C(=O)[O-])CCN(C2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013287324	1	41	0.0	-57.26	323.53	6.94	-50.32
CC1(C(=O)[O-])CCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013287329	0	47	0.0	-57.20	353.94	5.09	-52.11
CC1(C(=O)[O-])CCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013287329	1	47	0.0	-58.96	351.11	4.54	-54.42
COC1=CC2=NC(N3CCC(C)(C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013287346	0	44	0.0	-46.23	342.63	5.52	-40.71
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C1	REAL300013287353	0	38	0.0	-66.71	314.59	8.20	-58.51
CC(C)(C)C1=[NH+]C(C(C)(C)C)=NC(N2CCC(C)(C(=O)[O-])C2)=C1	REAL300013287359	1	52	0.0	-45.60	382.70	9.24	-36.36
CC1=CC(N2CCC(C)(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013287367	1	43	0.0	-58.09	352.65	9.38	-48.71
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1	REAL300013287396	1	35	0.0	-64.41	297.32	7.82	-56.59
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300013287418	0	41	0.0	-59.15	326.25	8.58	-50.57
COC1=CC=CC2=C(N3CCC(C)(C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013287444	1	42	0.0	-54.87	325.70	7.20	-47.67
CCOC(=O)C1=C(N2CCC(C)(C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013287445	1	47	0.0	-65.44	368.51	7.60	-57.84
CCOC(=O)C1=C(N2CCC(C)(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013287446	1	50	0.0	-66.98	372.23	10.13	-56.85
CC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013287465	0	47	0.0	-52.97	349.51	4.21	-48.76
CC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013287465	1	47	0.0	-57.46	352.26	4.04	-53.42
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCC(C)(C(=O)[O-])C2)=C1	REAL300013287469	0	40	0.0	-59.15	325.42	8.37	-50.78
CN1CCN(C2=CC(N3CCC(C)(C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013287477	0	44	0.0	-59.45	336.98	5.25	-54.20
CN1CCN(C2=CC(N3CCC(C)(C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013287477	1	44	0.0	-64.93	331.31	4.66	-60.27
CC(C)C1OCCCC1NC1=CC(N2CCC(C)(C(=O)[O-])C2)=NC=[NH+]1	REAL300013287485	0	53	0.0	-52.61	390.14	8.19	-44.42
CC(C)C1OCCCC1NC1=CC(N2CCC(C)(C(=O)[O-])C2)=[NH+]C=N1	REAL300013287485	1	53	0.0	-55.71	391.77	8.39	-47.32
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C1	REAL300013287503	0	46	0.0	-70.57	360.96	9.64	-60.93
CC1(C(=O)[O-])CCN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013287509	1	42	0.0	-43.16	343.88	10.09	-33.07
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013287524	0	47	0.0	-55.65	366.92	7.21	-48.44
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013287524	1	47	0.0	-50.67	368.92	7.31	-43.36
CC(C)NC1=NC(NCCO)=NC(N2CCC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013287524	1	47	0.0	-49.99	368.26	7.30	-42.69
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013287534	0	49	0.0	-52.42	366.59	11.14	-41.28
CCNC1=NC(NC(C)(C)C)=NC(N2CCC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013287534	1	49	0.0	-48.74	370.10	11.53	-37.21
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013287534	1	49	0.0	-46.32	367.94	11.25	-35.07
CC(O)C1CCN(C2=CC(N3CCC(C)(C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013287565	0	47	0.0	-56.35	349.95	4.56	-51.79
CC(O)C1CCN(C2=CC(N3CCC(C)(C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013287565	1	47	0.0	-52.71	350.56	4.32	-48.39
CC(C)OC1=CC2=C(N3CCC(C)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013287570	0	45	0.0	-70.55	339.81	7.59	-62.96
C[NH+](C)CC1=NC(N2CCC(C)(C(=O)[O-])C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013287675	1	52	0.0	-54.27	412.15	12.40	-41.87
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013287676	1	35	0.0	-68.29	291.93	7.34	-60.95
CCOC1=CC2=[NH+]C=CC(N3CCC(C)(C(=O)[O-])C3)=C2C=C1OCC	REAL300013287691	0	49	0.0	-65.41	372.77	7.82	-57.59
CCC1=CC(N2CCC(C)(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013287693	1	43	0.0	-50.63	341.08	7.66	-42.97
COC1=CC2=[NH+]C=CC(N3CCC(C)(C(=O)[O-])C3)=C2C=C1Br	REAL300013287724	0	39	0.0	-69.02	320.41	6.72	-62.30
CC1(C(=O)[O-])CCN(C2=NC(N3CCCC(C)(C)C3)=CC=[NH+]2)C1	REAL300013287732	0	49	0.0	-60.43	359.04	9.67	-50.76
CC1=CC2=C(N3CCC(C)(C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013287737	0	48	0.0	-55.14	348.06	9.78	-45.36
COC1=CC2=[NH+]C=CC(N3CCC(C)(C(=O)[O-])C3)=C2C=C1OC	REAL300013287742	0	43	0.0	-65.34	329.06	5.98	-59.36
CC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013287761	0	44	0.0	-61.53	345.40	9.33	-52.20
CC1=CC=C2C(N3CCC(C)(C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013287777	0	41	0.0	-44.94	330.41	8.87	-36.07
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCC(C)(C(=O)[O-])C2)=N1	REAL300013287780	0	43	0.0	-52.90	337.63	8.06	-44.84
CC1=NC(NC2=CC=CC=C2)=CC(N2CCC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013287780	1	43	0.0	-46.13	335.17	8.39	-37.74
CN(C1=CC=[NH+]C(N2CCC(C)(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013287784	0	49	0.0	-45.22	359.68	10.25	-34.97
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013287787	0	46	0.0	-58.14	362.28	10.53	-47.61
CN(C1=[NH+]C=CC(N2CCC(C)(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013287790	0	49	0.0	-63.38	360.53	11.47	-51.91
CC1=CC(N2CCC(C)(C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013287792	1	46	0.0	-50.09	361.33	11.39	-38.70
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013287826	0	39	0.0	-66.03	321.96	7.01	-59.02
CC1=C(Cl)C2=[NH+]C=CC(N3CCC(C)(C(=O)[O-])C3)=C2C=C1	REAL300013287832	1	38	0.0	-56.28	303.73	7.89	-48.39
O=C([O-])C1CN(C2=CC(N3CCSCC3)=[NH+]C=N2)CCO1	REAL300013287842	0	39	0.0	-62.20	315.41	6.10	-56.10
O=C([O-])C1CN(C2=CC(N3CCSCC3)=NC=[NH+]2)CCO1	REAL300013287842	1	39	0.0	-51.31	310.98	6.56	-44.75
O=C([O-])C1CN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CCO1	REAL300013287849	0	45	0.0	-64.29	344.07	3.47	-60.82
O=C([O-])C1CN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CCO1	REAL300013287849	1	45	0.0	-50.84	343.29	3.96	-46.88
CCCC1=[NH+]C2=CC=CC=C2C(N2CCOC(C(=O)[O-])C2)=C1	REAL300013287850	0	42	0.0	-52.02	327.00	7.71	-44.31
COC1=CC2=NC(N3CCOC(C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013287871	0	42	0.0	-56.15	335.46	4.24	-51.91
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)CCO1	REAL300013287878	1	36	0.0	-63.33	301.75	6.61	-56.72
CC(C)(C)C1=CC(N2CCOC(C(=O)[O-])C2)=NC(C(C)(C)C)=[NH+]1	REAL300013287885	1	50	0.0	-52.01	375.78	8.15	-43.86
CC1=CC(N2CCOC(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013287895	1	41	0.0	-66.19	345.71	8.30	-57.89
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(Br)=CC=C32)CCO1	REAL300013287924	1	33	0.0	-61.14	284.10	6.23	-54.91
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCOC(C(=O)[O-])C2)=C1C	REAL300013287947	0	39	0.0	-61.61	318.73	7.54	-54.07
COC1=CC=CC2=C(N3CCOC(C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013287974	1	40	0.0	-52.02	312.49	5.62	-46.40
CCOC(=O)C1=C(N2CCOC(C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013287975	1	45	0.0	-69.25	360.94	6.57	-62.68
CCOC(=O)C1=C(N2CCOC(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013287976	1	48	0.0	-62.46	369.79	9.24	-53.22
CCC1=C(N2CCOC(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013287994	0	42	0.0	-57.78	318.96	7.68	-50.10
O=C([O-])C1CN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)CCO1	REAL300013287998	0	45	0.0	-51.25	341.54	3.14	-48.11
O=C([O-])C1CN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)CCO1	REAL300013287998	1	45	0.0	-60.92	345.26	2.97	-57.95
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCOC(C(=O)[O-])C2)=C1	REAL300013288002	0	38	0.0	-66.65	318.70	7.33	-59.32
CN1CCN(C2=CC(N3CCOC(C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013288010	0	42	0.0	-56.31	328.25	4.67	-51.64
CN1CCN(C2=CC(N3CCOC(C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013288010	1	42	0.0	-57.54	325.69	3.52	-54.02
CC(C)C1OCCCC1NC1=CC(N2CCOC(C(=O)[O-])C2)=NC=[NH+]1	REAL300013288018	0	51	0.0	-62.85	384.12	6.91	-55.94
CC(C)C1OCCCC1NC1=CC(N2CCOC(C(=O)[O-])C2)=[NH+]C=N1	REAL300013288018	1	51	0.0	-49.24	381.16	7.26	-41.98
O=C([O-])C1CN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)CCO1	REAL300013288038	0	44	0.0	-69.29	352.40	8.48	-60.81
O=C([O-])C1CN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)CCO1	REAL300013288044	1	40	0.0	-46.89	330.87	8.55	-38.34
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCOC(C(=O)[O-])C2)=N1	REAL300013288060	0	45	0.0	-55.22	359.15	6.10	-49.12
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCOC(C(=O)[O-])C2)=N1	REAL300013288060	1	45	0.0	-52.03	360.25	6.17	-45.86
CC(C)NC1=NC(NCCO)=NC(N2CCOC(C(=O)[O-])C2)=[NH+]1	REAL300013288060	1	45	0.0	-51.76	359.61	6.15	-45.61
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCOC(C(=O)[O-])C2)=N1	REAL300013288070	0	47	0.0	-51.56	358.82	10.03	-41.53
CCNC1=NC(NC(C)(C)C)=NC(N2CCOC(C(=O)[O-])C2)=[NH+]1	REAL300013288070	1	47	0.0	-50.78	361.44	10.40	-40.38
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCOC(C(=O)[O-])C2)=N1	REAL300013288070	1	47	0.0	-50.40	363.06	10.48	-39.92
CC(O)C1CCN(C2=CC(N3CCOC(C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013288101	0	45	0.0	-58.15	345.54	3.17	-54.98
CC(O)C1CCN(C2=CC(N3CCOC(C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013288101	1	45	0.0	-50.29	345.15	3.93	-46.36
CCCC1=CC2=C(N3CCOC(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013288105	0	42	0.0	-61.97	327.16	7.81	-54.16
CC(C)OC1=CC2=C(N3CCOC(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013288107	0	43	0.0	-67.31	331.96	6.47	-60.84
C[NH+](C)CC1=NC(N2CCOC(C(=O)[O-])C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013288212	1	50	0.0	-59.64	406.02	11.13	-48.51
O=C([O-])C1CN(C2=CC=[NH+]C3=CC=C(Br)C=C32)CCO1	REAL300013288213	1	33	0.0	-65.53	284.08	6.22	-59.31
CCOC1=CC2=[NH+]C=CC(N3CCOC(C(=O)[O-])C3)=C2C=C1OCC	REAL300013288228	0	47	0.0	-63.60	365.04	6.71	-56.89
CCC1=CC(N2CCOC(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013288230	1	41	0.0	-58.16	334.06	6.57	-51.59
COC1=CC2=[NH+]C=CC(N3CCOC(C(=O)[O-])C3)=C2C=C1Br	REAL300013288263	0	37	0.0	-66.32	312.55	5.59	-60.73
CC1(C)CCCN(C2=CC=[NH+]C(N3CCOC(C(=O)[O-])C3)=N2)C1	REAL300013288271	0	47	0.0	-63.90	350.48	8.55	-55.35
CC1=CC2=C(N3CCOC(C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013288276	0	46	0.0	-55.31	348.44	8.96	-46.35
COC1=CC2=[NH+]C=CC(N3CCOC(C(=O)[O-])C3)=C2C=C1OC	REAL300013288282	0	41	0.0	-63.63	321.21	4.86	-58.77
O=C([O-])C1CN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CCO1	REAL300013288305	0	42	0.0	-57.96	337.13	7.59	-50.37
CC1=[NH+]C2=C(Cl)C(C)=CC=C2C(N2CCOC(C(=O)[O-])C2)=C1	REAL300013288322	0	39	0.0	-49.65	323.68	7.82	-41.83
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCOC(C(=O)[O-])C2)=N1	REAL300013288325	0	41	0.0	-53.72	331.03	7.48	-46.24
CC1=NC(NC2=CC=CC=C2)=CC(N2CCOC(C(=O)[O-])C2)=[NH+]1	REAL300013288325	1	41	0.0	-44.52	327.34	7.31	-37.21
CC1=[NH+]C=CC(N2CCOC(C(=O)[O-])C2)=C1Br	REAL300013288328	0	30	0.0	-63.74	256.12	4.60	-59.14
CN(C1=CC=[NH+]C(N2CCOC(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013288330	0	47	0.0	-53.42	353.17	8.88	-44.54
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCOC(C(=O)[O-])C2)=[NH+]1	REAL300013288333	0	44	0.0	-60.78	352.97	9.53	-51.25
CN(C1=[NH+]C=CC(N2CCOC(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013288336	0	47	0.0	-66.33	351.77	10.15	-56.18
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)CCO1	REAL300013288374	0	37	0.0	-62.79	308.73	5.42	-57.37
CC1=C(Cl)C2=[NH+]C=CC(N3CCOC(C(=O)[O-])C3)=C2C=C1	REAL300013288381	1	36	0.0	-54.74	295.83	6.76	-47.98
O=C([O-])C1=CC=C[NH+]=C1N1CCCN(C(=O)C2=CC=CC=C2F)CC1	REAL300013288398	0	43	0.0	-52.22	339.37	9.84	-42.38
O=C([O-])C1=CC=C[NH+]=C1N1CC2=CC=CC=C2C(C2=CC=CC=C2)C1	REAL300013288406	0	43	0.0	-50.51	344.55	12.43	-38.08
COC1=CC=CC(CC(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1	REAL300013288444	0	47	0.0	-56.28	375.91	8.94	-47.34
COC1=CC=C(CCC(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013288452	0	50	0.0	-53.81	397.30	9.75	-44.06
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)CC2=CC=CC=C2F)CC1	REAL300013288476	0	43	0.0	-51.83	351.85	9.68	-42.15
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=C(Cl)C=N2)CC1	REAL300013288482	0	37	0.0	-52.02	313.18	7.80	-44.22
CCOC1=CC2=C(C=C1OCC)CN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013288504	0	47	0.0	-53.98	370.98	10.15	-43.83
CC(CNC1=CC=CC(C(=O)[O-])=N1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300013288538	0	41	0.0	-75.35	328.50	8.71	-66.64
CC(CNC1=CC=CC(C(=O)[O-])=N1)[N@H+]1CCC2=C(C=CS2)C1	REAL300013288538	1	41	0.0	-75.34	328.26	8.68	-66.66
CC(CNC1=NC=CC=C1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300013288539	0	41	0.0	-52.05	329.30	9.60	-42.45
CC(CNC1=NC=CC=C1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300013288539	1	41	0.0	-49.66	325.62	9.62	-40.04
CC(CNC1=NC=C(C(=O)[O-])C=C1Cl)[N@@H+]1CCC2=C(C=CS2)C1	REAL300013288540	1	41	0.0	-67.38	345.10	9.93	-57.45
CC(CNC1=NC=C(C(=O)[O-])C=C1Cl)[N@H+]1CCC2=C(C=CS2)C1	REAL300013288540	1	41	0.0	-66.80	343.57	9.64	-57.16
CC(CNC1=CC=CC(C(=O)[O-])=N1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300013288541	0	41	0.0	-75.35	328.50	8.71	-66.64
CC(CNC1=CC=CC(C(=O)[O-])=N1)[N@H+]1CCC2=C(C=CS2)C1	REAL300013288541	1	41	0.0	-75.34	328.26	8.68	-66.66
CC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300013288542	0	44	0.0	-101.04	357.18	9.90	-91.14
CC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[N@H+]1CCC2=C(C=CS2)C1	REAL300013288542	1	44	0.0	-101.03	357.01	9.89	-91.14
O=C([O-])C1=CC2=C(N3CC[N@@H+]4CCCCC4C3)N=CNC2=N1	REAL300013288545	0	41	0.0	-97.78	314.42	9.05	-88.73
O=C([O-])C1=CC2=C(N3CC[N@H+]4CCCCC4C3)N=CNC2=N1	REAL300013288545	1	41	0.0	-94.72	314.43	9.08	-85.64
CN(CCCOC1=CC=C(F)C=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013288547	0	39	0.0	-53.17	324.23	9.18	-43.99
CCCC[NH+]1CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013288554	0	43	0.0	-68.51	346.43	9.34	-59.17
CCCC[NH+]1CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013288555	0	46	0.0	-105.38	359.62	9.67	-95.71
COC1=CC=CC(OC)=C1OC1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013288557	0	48	0.0	-57.27	377.92	9.45	-47.82
CCC1=NSC(N2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013288612	0	42	0.0	-60.51	341.20	7.55	-52.96
COC1=CC=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013288621	0	43	0.0	-52.84	337.04	9.75	-43.09
C[N@@H+]1C2CCC1CN(C1=C3C=C(C(=O)[O-])N=C3NC=N1)CC2	REAL300013288626	0	41	0.0	-95.39	300.19	8.76	-86.63
C[N@H+]1C2CCC1CN(C1=C3C=C(C(=O)[O-])N=C3NC=N1)CC2	REAL300013288626	1	41	0.0	-95.41	300.12	8.76	-86.65
CC(C)[N@@H+]1C2CCC1CN(C1=NC=C(C(=O)[O-])C=C1Cl)CC2	REAL300013288650	0	44	0.0	-60.25	322.24	9.16	-51.09
CC(C)[N@H+]1C2CCC1CN(C1=NC=C(C(=O)[O-])C=C1Cl)CC2	REAL300013288650	1	44	0.0	-58.02	308.95	9.67	-48.35
CC(C)[N@@H+]1C2CCC1CN(C1=C3C=C(C(=O)[O-])N=C3NC=N1)CC2	REAL300013288651	0	47	0.0	-91.07	303.81	7.07	-84.00
CC(C)[N@H+]1C2CCC1CN(C1=C3C=C(C(=O)[O-])N=C3NC=N1)CC2	REAL300013288651	1	47	0.0	-89.63	341.85	10.23	-79.40
CCC1CN(C2=[NH+]C=CC=C2C(=O)[O-])CCC1C1=CC=CC=C1	REAL300013288663	0	45	0.0	-48.75	332.69	11.64	-37.11
CC(C)[NH+](CCCNC1=NC=C(C(=O)[O-])C=C1Cl)C(C)C	REAL300013288668	0	45	0.0	-64.59	344.79	8.67	-55.92
CC(C)[NH+](CCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C(C)C	REAL300013288669	0	48	0.0	-98.46	358.69	9.04	-89.42
CN(C1=CC=CC(C(=O)[O-])=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013288677	0	47	0.0	-80.46	350.65	11.80	-68.66
CN(C1=CC=CC(C(=O)[O-])=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013288677	1	47	0.0	-75.20	350.06	11.40	-63.80
CN(C1=NC=CC=C1C(=O)[O-])C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013288678	0	47	0.0	-58.28	361.11	10.80	-47.48
CN(C1=NC=CC=C1C(=O)[O-])C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013288678	1	47	0.0	-57.55	350.19	10.14	-47.41
CN(C1=NC=C(C(=O)[O-])C=C1Cl)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013288679	0	47	0.0	-67.02	379.43	10.43	-56.59
CN(C1=NC=C(C(=O)[O-])C=C1Cl)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013288679	1	47	0.0	-65.70	368.52	9.85	-55.85
CN(C1=CC=CC(C(=O)[O-])=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013288680	0	47	0.0	-80.46	350.65	11.80	-68.66
CN(C1=CC=CC(C(=O)[O-])=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013288680	1	47	0.0	-75.20	350.06	11.40	-63.80
CN(C1=CC=CC(C(=O)[O-])=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013288681	0	47	0.0	-80.46	350.65	11.80	-68.66
CN(C1=CC=CC(C(=O)[O-])=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013288681	1	47	0.0	-75.20	350.06	11.40	-63.80
CN(C1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013288682	0	50	0.0	-105.90	387.38	12.24	-93.66
CN(C1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013288682	1	50	0.0	-98.23	387.38	12.24	-85.99
CC(CCNC1=CC=CC(C(=O)[O-])=N1)[N@H+](C)CC1=CC=CC=C1	REAL300013288688	0	46	0.0	-81.21	355.22	9.76	-71.45
CC(CCNC1=CC=CC(C(=O)[O-])=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300013288688	1	46	0.0	-79.58	358.79	9.76	-69.82
CC(CCNC1=NC=CC=C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300013288689	0	46	0.0	-59.31	351.86	10.31	-49.00
CC(CCNC1=NC=CC=C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300013288689	1	46	0.0	-59.57	351.85	10.29	-49.28
CC(CCNC1=NC=C(C(=O)[O-])C=C1Cl)[N@H+](C)CC1=CC=CC=C1	REAL300013288690	0	46	0.0	-67.59	371.30	10.61	-56.98
CC(CCNC1=NC=C(C(=O)[O-])C=C1Cl)[N@@H+](C)CC1=CC=CC=C1	REAL300013288690	1	46	0.0	-67.50	371.06	10.62	-56.88
CC(CCNC1=CC=CC(C(=O)[O-])=N1)[N@H+](C)CC1=CC=CC=C1	REAL300013288691	0	46	0.0	-81.21	355.22	9.76	-71.45
CC(CCNC1=CC=CC(C(=O)[O-])=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300013288691	1	46	0.0	-79.58	358.79	9.76	-69.82
CC(CCNC1=CC=CC(C(=O)[O-])=N1)[N@H+](C)CC1=CC=CC=C1	REAL300013288692	0	46	0.0	-81.21	355.22	9.76	-71.45
CC(CCNC1=CC=CC(C(=O)[O-])=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300013288692	1	46	0.0	-79.58	358.79	9.76	-69.82
CC(CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[N@H+](C)CC1=CC=CC=C1	REAL300013288693	0	49	0.0	-104.82	384.48	10.95	-93.87
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CC(C)CC1=CC=C(C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[NH+](C)C)C=C1	REAL300013289090	0	55	0.0	-107.45	428.17	12.51	-94.94
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C[NH+]1CCN(C2=CC=C(CNC3=NC=CC=C3C(=O)[O-])C=N2)CC1	REAL300013289167	0	45	0.0	-67.66	355.11	7.76	-59.90
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CC(C)C(CNC1=NC=C(C(=O)[O-])C=C1Cl)[NH+]1CCN(C)CC1	REAL300013289226	1	48	0.0	-63.54	363.50	7.46	-56.08
CC(C)C(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCN(C)CC1	REAL300013289227	0	48	0.0	-76.88	348.01	6.80	-70.08
CC(C)C(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCN(C)CC1	REAL300013289228	0	48	0.0	-76.88	348.01	6.80	-70.08
CC(C)C(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[NH+]1CCN(C)CC1	REAL300013289229	0	51	0.0	-96.82	374.48	8.35	-88.47
CC(C)[NH+]1CCC(N(C)C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013289240	0	43	0.0	-61.41	330.73	8.65	-52.76
CC(C)[NH+]1CCC(N(C)C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013289241	0	46	0.0	-101.21	345.07	9.89	-91.32
CN(CC1=CC=CC=C1C(F)(F)F)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013289243	0	35	0.0	-44.24	294.40	10.00	-34.24
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CN(CC1=CC(Br)=CC=C1F)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013290549	0	32	0.0	-52.69	293.13	9.36	-43.33
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COC(=O)C1=CC=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])C(C)C2)C=C1	REAL300013290670	0	47	0.0	-51.94	372.05	8.70	-43.24
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CC1=CC(N2CCC(NC3=CC=CC(C(=O)[O-])=N3)CC2)=NC(C)=[NH+]1	REAL300013290679	1	45	0.0	-75.00	357.46	7.41	-67.59
CC1=CC(N2CCC(NC3=NC=C(C(=O)[O-])C=C3Cl)CC2)=NC(C)=[NH+]1	REAL300013290681	1	45	0.0	-62.65	374.48	8.39	-54.26
CC1=CC(N2CCC(NC3=CC=CC(C(=O)[O-])=N3)CC2)=NC(C)=[NH+]1	REAL300013290682	1	45	0.0	-75.00	357.46	7.41	-67.59
CC1=CC(N2CCC(NC3=CC=CC(C(=O)[O-])=N3)CC2)=NC(C)=[NH+]1	REAL300013290683	1	45	0.0	-75.00	357.46	7.41	-67.59
CC1=CC(N2CCC(NC3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)=NC(C)=[NH+]1	REAL300013290684	1	48	0.0	-98.56	387.66	8.74	-89.82
COC1=CC(NC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=CC(OC)=C1	REAL300013290706	0	49	0.0	-52.90	382.03	7.45	-45.45
CC1CC(NC2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013290739	0	47	0.0	-75.03	346.06	10.37	-64.66
CC1CC(NC2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013290739	1	47	0.0	-81.00	362.04	10.23	-70.77
CC1CC(NC2=NC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013290740	0	47	0.0	-60.99	359.48	10.92	-50.07
CC1CC(NC2=NC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013290740	1	47	0.0	-61.57	352.69	10.58	-50.99
CC1CC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC[N@@H+]1CC1=CC=CC=C1	REAL300013290741	0	47	0.0	-67.35	362.90	11.49	-55.86
CC1CC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC[N@H+]1CC1=CC=CC=C1	REAL300013290741	1	47	0.0	-67.36	362.87	11.49	-55.87
CC1CC(NC2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013290742	0	47	0.0	-75.03	346.06	10.37	-64.66
CC1CC(NC2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013290742	1	47	0.0	-81.00	362.04	10.23	-70.77
CC1CC(NC2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013290743	0	47	0.0	-75.03	346.06	10.37	-64.66
CC1CC(NC2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013290743	1	47	0.0	-81.00	362.04	10.23	-70.77
CC1CC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013290744	0	50	0.0	-97.31	388.23	11.80	-85.51
CC1CC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013290744	1	50	0.0	-105.42	392.13	11.56	-93.86
COC1=NC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=NC=C1Br	REAL300013290746	0	40	0.0	-50.82	345.67	6.70	-44.12
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013290749	0	58	0.0	-81.70	417.84	9.88	-71.82
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C1=NC=CC=C1C(=O)[O-]	REAL300013290750	1	58	0.0	-64.31	415.31	9.32	-54.99
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013290751	0	58	0.0	-64.23	433.58	8.99	-55.24
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013290752	0	58	0.0	-81.70	417.84	9.88	-71.82
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CC(C)(C)NC(=O)C[NH+]1CCC(CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013290783	0	53	0.0	-83.48	400.54	7.48	-76.00
CC(C)(C)NC(=O)C[NH+]1CCC(CNC2=NC=CC=C2C(=O)[O-])CC1	REAL300013290784	0	53	0.0	-61.74	396.97	8.03	-53.71
CC(C)(C)NC(=O)C[NH+]1CCC(CNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013290785	0	53	0.0	-74.50	416.41	8.37	-66.13
CC(C)(C)NC(=O)C[NH+]1CCC(CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013290786	0	53	0.0	-83.48	400.54	7.48	-76.00
CC(C)(C)NC(=O)C[NH+]1CCC(CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013290787	0	53	0.0	-83.48	400.54	7.48	-76.00
CC(C)(C)NC(=O)C[NH+]1CCC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013290788	0	56	0.0	-102.04	429.58	8.69	-93.35
CC(C)CC[NH+]1CCC(CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013290791	0	49	0.0	-77.88	368.46	9.66	-68.22
CC(C)CC[NH+]1CCC(CNC2=NC=CC=C2C(=O)[O-])CC1	REAL300013290792	0	49	0.0	-60.96	364.02	10.17	-50.79
CC(C)CC[NH+]1CCC(CNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013290793	0	49	0.0	-70.22	383.48	10.50	-59.72
CC(C)CC[NH+]1CCC(CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013290794	0	49	0.0	-77.88	368.46	9.66	-68.22
CC(C)CC[NH+]1CCC(CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013290795	0	49	0.0	-77.88	368.46	9.66	-68.22
CC(C)CC[NH+]1CCC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013290796	0	52	0.0	-101.43	396.65	10.82	-90.61
COC1CC[NH+](CCNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013290797	0	41	0.0	-69.72	337.07	6.79	-62.93
COC1CC[NH+](CCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013290798	0	44	0.0	-105.44	350.25	7.12	-98.32
CC[NH+](CC)CCN(CCOC)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013290799	0	46	0.0	-67.02	354.58	7.13	-59.89
CC[NH+](CC)CCN(CCOC)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013290800	0	49	0.0	-80.24	382.92	8.95	-71.29
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COC1=CC(N2N=NN=C2CN(C)C2=[NH+]C=CC=C2C(=O)[O-])=CC(OC)=C1	REAL300013290811	0	45	0.0	-64.17	370.72	6.34	-57.83
O=C([O-])C1=CC=CC(NCC2(C[NH+]3CCOCC3)CCCCC2)=N1	REAL300013290845	0	51	0.0	-72.40	362.97	8.22	-64.18
O=C([O-])C1=CC=CN=C1NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300013290846	0	51	0.0	-47.67	355.43	8.80	-38.87
O=C([O-])C1=CN=C(NCC2(C[NH+]3CCOCC3)CCCCC2)C(Cl)=C1	REAL300013290847	0	51	0.0	-70.69	378.30	9.10	-61.59
O=C([O-])C1=CC=CC(NCC2(C[NH+]3CCOCC3)CCCCC2)=N1	REAL300013290848	0	51	0.0	-72.40	362.97	8.22	-64.18
O=C([O-])C1=CC=CC(NCC2(C[NH+]3CCOCC3)CCCCC2)=N1	REAL300013290849	0	51	0.0	-72.40	362.97	8.22	-64.18
O=C([O-])C1=CC2=C(NCC3(C[NH+]4CCOCC4)CCCCC3)N=CNC2=N1	REAL300013290850	0	54	0.0	-97.62	391.70	9.42	-88.20
O=C([O-])C1=CC=C[NH+]=C1N1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300013290852	0	37	0.0	-50.31	320.23	11.07	-39.24
CC1(CCC2=CC=CC=C2)CCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013290860	0	45	0.0	-50.70	347.37	11.56	-39.14
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC(Cl)=CC(Cl)=C2C1	REAL300013290871	0	33	0.0	-49.08	299.39	10.02	-39.06
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=NN=C(C(F)(F)F)S2)CC1	REAL300013290901	0	36	0.0	-52.96	325.01	6.39	-46.57
O=C([O-])C1=CC=C[NH+]=C1N1CCC(O)(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300013290915	0	44	0.0	-47.30	358.72	7.24	-40.06
CC(O)C[N@@H+]1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)C(C)C1	REAL300013290918	1	41	0.0	-66.11	324.48	5.27	-60.84
CC(O)C[N@H+]1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)C(C)C1	REAL300013290918	1	41	0.0	-66.23	325.00	5.14	-61.09
CC(O)C[N@@H+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C(C)C1	REAL300013290919	0	44	0.0	-101.70	338.50	6.32	-95.38
CC(O)C[N@H+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C(C)C1	REAL300013290919	1	44	0.0	-97.94	346.97	5.67	-92.27
CC1=CC(Br)=C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2=C1	REAL300013290925	0	36	0.0	-40.84	295.56	9.25	-31.59
C[C@H](O)C[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013290942	0	41	0.0	-99.21	322.09	5.60	-93.61
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)NCC(F)(F)F)C1	REAL300013290961	0	36	0.0	-50.26	311.42	5.61	-44.65
O=C([O-])C1=CC=C[NH+]=C1N1CCC(O)(C2=C(F)C=CC=C2F)CC1	REAL300013290973	0	40	0.0	-49.19	322.32	7.61	-41.58
COC1=CC=C(C(C[NH+]2CCCC2)NC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013291009	0	48	0.0	-78.13	371.74	9.10	-69.03
COC1=CC=C(C(C[NH+]2CCCC2)NC2=NC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300013291010	0	48	0.0	-59.27	377.71	10.43	-48.84
COC1=CC=C(C(C[NH+]2CCCC2)NC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013291011	0	48	0.0	-78.13	371.74	9.10	-69.03
COC1=CC=C(C(C[NH+]2CCCC2)NC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013291012	0	48	0.0	-78.13	371.74	9.10	-69.03
COC1=CC=C(C(C[NH+]2CCCC2)NC2=C3C=C(C(=O)[O-])N=C3NC=N2)C=C1	REAL300013291013	0	51	0.0	-102.81	404.57	10.56	-92.25
O=C([O-])C1=CC=CC(N2CCC(O)(C[NH+]3CCOCC3)CC2)=N1	REAL300013291014	0	46	0.0	-78.22	337.41	4.59	-73.63
O=C([O-])C1=CN=C(N2CCC(O)(C[NH+]3CCOCC3)CC2)C(Cl)=C1	REAL300013291016	0	46	0.0	-66.89	356.31	5.13	-61.76
O=C([O-])C1=CC=CC(N2CCC(O)(C[NH+]3CCOCC3)CC2)=N1	REAL300013291017	0	46	0.0	-78.22	337.41	4.59	-73.63
O=C([O-])C1=CC=CC(N2CCC(O)(C[NH+]3CCOCC3)CC2)=N1	REAL300013291018	0	46	0.0	-78.22	337.41	4.59	-73.63
O=C([O-])C1=CC2=C(N3CCC(O)(C[NH+]4CCOCC4)CC3)N=CNC2=N1	REAL300013291019	0	49	0.0	-99.01	362.96	6.40	-92.61
CC1=CC(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=CC=C1Br	REAL300013291036	0	42	0.0	-52.12	346.98	11.64	-40.48
CC1=CC(CNC2=CC=CC(C(=O)[O-])=N2)=CC(N2CCCC2)=[NH+]1	REAL300013291041	1	43	0.0	-67.76	348.01	7.37	-60.39
CC1=CC(CNC2=NC=CC=C2C(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013291042	1	43	0.0	-48.20	343.08	7.94	-40.26
CC1=CC(CNC2=NC=C(C(=O)[O-])C=C2Cl)=CC(N2CCCC2)=[NH+]1	REAL300013291043	1	43	0.0	-59.22	363.51	8.22	-51.00
CC1=CC(CNC2=CC=CC(C(=O)[O-])=N2)=CC(N2CCCC2)=[NH+]1	REAL300013291044	1	43	0.0	-67.76	348.01	7.37	-60.39
CC1=CC(CNC2=CC=CC(C(=O)[O-])=N2)=CC(N2CCCC2)=[NH+]1	REAL300013291045	1	43	0.0	-67.76	348.01	7.37	-60.39
CC1=CC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)=CC(N2CCCC2)=[NH+]1	REAL300013291046	1	46	0.0	-91.89	375.71	8.59	-83.30
CSC1(CNC2=NC=C(C(=O)[O-])C=C2Cl)CC[NH+](C)CC1	REAL300013291049	0	41	0.0	-69.62	334.95	8.55	-61.07
CSC1(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[NH+](C)CC1	REAL300013291050	0	44	0.0	-107.86	348.16	8.91	-98.95
CC1=NSC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1C#N	REAL300013291060	0	38	0.0	-48.44	324.58	6.53	-41.91
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(CNC(=O)C(F)(F)F)C1	REAL300013291066	0	39	0.0	-51.66	329.39	6.44	-45.22
COC1=CC=C2CN(C3=[NH+]C=CC=C3C(=O)[O-])CC3(CC3)C2=C1	REAL300013291087	0	41	0.0	-40.85	312.54	8.49	-32.36
O=C([O-])C1=CC=CC(NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013291093	0	50	0.0	-82.82	376.66	11.17	-71.65
O=C([O-])C1=CC=CC(NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013291093	1	50	0.0	-82.89	376.11	11.20	-71.69
O=C([O-])C1=CC=CN=C1NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013291094	0	50	0.0	-64.25	372.69	11.52	-52.73
O=C([O-])C1=CC=CN=C1NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013291094	1	50	0.0	-65.71	372.12	11.66	-54.05
O=C([O-])C1=CN=C(NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C(Cl)=C1	REAL300013291095	0	50	0.0	-70.42	392.16	11.85	-58.57
O=C([O-])C1=CN=C(NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C(Cl)=C1	REAL300013291095	1	50	0.0	-69.98	391.50	12.06	-57.92
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CN1CC[N@H+](CCCNC2=CC=CC(C(=O)[O-])=N2)C(C2=CC=CC=C2)C1	REAL300013291273	0	52	0.0	-76.88	389.84	8.04	-68.84
CN1CC[N@@H+](CCCNC2=CC=CC(C(=O)[O-])=N2)C(C2=CC=CC=C2)C1	REAL300013291273	1	52	0.0	-76.65	400.85	8.65	-68.00
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CN1CC[N@H+](CCCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C(C2=CC=CC=C2)C1	REAL300013291274	0	55	0.0	-100.80	418.52	9.24	-91.56
CN1CC[N@@H+](CCCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C(C2=CC=CC=C2)C1	REAL300013291274	1	55	0.0	-100.78	429.53	9.86	-90.92
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CC1=CC=CC(N2CC[NH+](CCCNC3=NC=CC=C3C(=O)[O-])CC2)=C1	REAL300013291293	0	52	0.0	-62.81	396.59	9.82	-52.99
CC1=CC=CC(N2CC[NH+](CCCNC3=NC=C(C(=O)[O-])C=C3Cl)CC2)=C1	REAL300013291294	0	52	0.0	-73.62	415.55	10.10	-63.52
CC1=CC=CC(N2CC[NH+](CCCNC3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013291295	0	52	0.0	-83.84	400.05	9.23	-74.61
CC1=CC=CC(N2CC[NH+](CCCNC3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013291296	0	52	0.0	-83.84	400.05	9.23	-74.61
CC1=CC=CC(N2CC[NH+](CCCNC3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)=C1	REAL300013291297	0	55	0.0	-108.05	429.24	10.48	-97.57
CNC(=O)C[NH+]1CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013291298	1	41	0.0	-74.79	340.76	5.53	-69.26
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CC1C[NH+](CC2=CC=C(CNC3=NC=CC=C3C(=O)[O-])C=C2)CC(C)O1	REAL300013291313	0	51	0.0	-68.24	398.45	10.09	-58.15
CC1C[NH+](CC2=CC=C(CNC3=NC=C(C(=O)[O-])C=C3Cl)C=C2)CC(C)O1	REAL300013291314	0	51	0.0	-73.38	417.93	10.41	-62.97
CC1C[NH+](CC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC(C)O1	REAL300013291315	0	51	0.0	-80.68	402.42	9.55	-71.13
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CC1=CC=CC(N2CC[NH+](CCCCNC3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013291370	0	55	0.0	-83.89	422.06	10.04	-73.85
CC1=CC=CC(N2CC[NH+](CCCCNC3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013291371	0	55	0.0	-83.89	422.06	10.04	-73.85
O=C([O-])C1=CC=C[NH+]=C1N1CCC(NS(=O)(=O)C2=CC=C(F)C=C2)CC1	REAL300013291375	0	44	0.0	-55.85	368.92	6.19	-49.66
CCCS(=O)(=O)NC1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013291379	0	43	0.0	-56.40	347.06	4.59	-51.81
C[NH+](C)CCN1CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013291390	0	45	0.0	-68.83	358.98	6.85	-61.98
CN(C)CC[NH+]1CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013291390	1	45	0.0	-68.86	358.87	6.62	-62.24
C[NH+](C)CCN1CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013291391	0	48	0.0	-104.50	371.08	7.01	-97.49
CN(C)CC[NH+]1CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013291391	1	48	0.0	-105.52	372.06	6.97	-98.55
COC1=CC=C(CCC(=O)N2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013291431	0	53	0.0	-50.64	411.94	11.02	-39.62
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)NC2=CC=CC(F)=C2)CC1	REAL300013291435	0	43	0.0	-64.83	350.22	8.98	-55.85
N#CC1=CC=CC=C1N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013291447	0	39	0.0	-46.11	322.69	8.76	-37.35
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)CC2CCCCC2)CC1	REAL300013291457	0	49	0.0	-51.42	366.21	9.90	-41.52
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=CC=C(F)C=C2)CC1	REAL300013291488	0	42	0.0	-50.21	335.20	11.29	-38.92
N#CC1=CC=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C(F)=C1	REAL300013291502	0	39	0.0	-53.56	322.65	8.28	-45.28
CN(CCCC1=CC(C2=CC=CC=C2)=NO1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013291510	0	44	0.0	-60.05	364.31	11.46	-48.59
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(C2=NC(C3=CC=C(F)C=C3)=NO2)C1	REAL300013291516	0	44	0.0	-51.79	368.46	9.30	-42.49
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=NC(C3=CC=CC=C3)=NN2)CC1	REAL300013291520	0	45	0.0	-54.89	365.01	10.43	-44.46
CN1C=C(C(=O)NCC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=N1	REAL300013291526	0	46	0.0	-61.74	371.00	6.92	-54.82
O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CC=CC(O)=C3)CC2)=N1	REAL300013291531	1	42	0.0	-73.37	335.52	6.27	-67.10
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O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CC=CC(O)=C3)CC2)=N1	REAL300013291534	1	42	0.0	-73.37	335.52	6.27	-67.10
O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CC=CC(O)=C3)CC2)=N1	REAL300013291535	1	42	0.0	-73.37	335.52	6.27	-67.10
O=C([O-])C1=CC2=C(N3CC[NH+](CC4=CC=CC(O)=C4)CC3)N=CNC2=N1	REAL300013291536	1	45	0.0	-107.44	360.52	8.10	-99.34
CN(CCCCCC1=CC(C2=CC=CC=C2)=NO1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013291549	0	50	0.0	-58.07	407.31	13.02	-45.05
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=CC=C(Br)C=C2)CC1	REAL300013291554	0	40	0.0	-48.49	342.54	9.21	-39.28
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=CC=CC(O)=C2)CC1	REAL300013291558	0	41	0.0	-50.87	330.95	5.68	-45.19
CC1=CC=C(CC(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013291564	0	46	0.0	-53.64	367.81	10.32	-43.32
CC(C)C(=O)NCC1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013291611	0	45	0.0	-52.39	350.07	7.52	-44.87
CCCC(=O)NCC1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013291617	0	45	0.0	-52.66	352.02	7.62	-45.04
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)NC2=CC=C(F)C=C2)CC1	REAL300013291623	0	43	0.0	-63.73	350.54	8.94	-54.79
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(C=CC(Cl)=C2Cl)C1	REAL300013291641	0	33	0.0	-52.03	297.96	10.00	-42.03
O=C([O-])C1=CC=C[NH+]=C1N1CCC(NC(=O)NC2=CC=C(F)C=C2)C1	REAL300013291647	0	42	0.0	-62.65	348.16	6.99	-55.66
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(C2=NC(C3=CC=C(Cl)C=C3)=NO2)C1	REAL300013291659	0	44	0.0	-51.57	378.78	9.75	-41.82
O=C([O-])C1=CC=C[NH+]=C1N1CCCC2(CCCC3=CC=CC=C32)C1	REAL300013291669	0	46	0.0	-49.19	337.75	11.93	-37.26
CC(C)C1CCC([NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013291676	0	53	0.0	-69.76	372.82	10.05	-59.71
CC(C)C1CCC([NH+]2CCN(C3=NC=CC=C3C(=O)[O-])CC2)CC1	REAL300013291677	0	53	0.0	-52.77	373.18	10.92	-41.85
CC(C)C1CCC([NH+]2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)CC1	REAL300013291678	0	53	0.0	-62.82	391.31	10.63	-52.19
CC(C)C1CCC([NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013291679	0	53	0.0	-69.76	372.82	10.05	-59.71
CC(C)C1CCC([NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013291680	0	53	0.0	-69.76	372.82	10.05	-59.71
CC(C)C1CCC([NH+]2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)CC1	REAL300013291681	0	56	0.0	-98.59	397.80	11.89	-86.70
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(OC2=CC=C(Cl)C(Cl)=C2)C1	REAL300013291689	0	40	0.0	-48.83	345.02	10.11	-38.72
NC1=NSC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013291693	0	35	0.0	-51.50	298.17	5.68	-45.82
CC1CC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)C[N@@H+]1C1CC1	REAL300013291708	0	41	0.0	-99.73	326.58	8.46	-91.27
CC1CC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)C[N@H+]1C1CC1	REAL300013291708	1	41	0.0	-98.47	330.31	8.74	-89.73
COC1=CC(OCCCN(C)C2=[NH+]C=CC=C2C(=O)[O-])=CC(OC)=C1	REAL300013291722	0	47	0.0	-55.19	376.79	7.72	-47.47
COC1=CC=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1F	REAL300013291728	0	42	0.0	-51.00	334.43	7.25	-43.75
CC1C[NH+](CCCCNC2=CC=CC(C(=O)[O-])=N2)CC(C)O1	REAL300013291748	0	47	0.0	-81.58	365.00	7.52	-74.06
CC1C[NH+](CCCCNC2=NC=CC=C2C(=O)[O-])CC(C)O1	REAL300013291749	0	47	0.0	-63.79	354.83	8.06	-55.73
CC1C[NH+](CCCCNC2=NC=C(C(=O)[O-])C=C2Cl)CC(C)O1	REAL300013291750	0	47	0.0	-70.57	374.30	8.39	-62.18
CC1C[NH+](CCCCNC2=CC=CC(C(=O)[O-])=N2)CC(C)O1	REAL300013291751	0	47	0.0	-81.58	365.00	7.52	-74.06
CC1C[NH+](CCCCNC2=CC=CC(C(=O)[O-])=N2)CC(C)O1	REAL300013291752	0	47	0.0	-81.58	365.00	7.52	-74.06
CC1C[NH+](CCCCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC(C)O1	REAL300013291753	0	50	0.0	-104.30	387.47	8.72	-95.58
O=C([O-])C1=CC=CC(NC2CC[NH+](CCOC3=CC=C(F)C=C3)CC2)=N1	REAL300013291754	0	48	0.0	-88.98	381.75	9.61	-79.37
O=C([O-])C1=CC=CN=C1NC1CC[NH+](CCOC2=CC=C(F)C=C2)CC1	REAL300013291755	0	48	0.0	-69.37	378.95	10.24	-59.13
O=C([O-])C1=CN=C(NC2CC[NH+](CCOC3=CC=C(F)C=C3)CC2)C(Cl)=C1	REAL300013291756	0	48	0.0	-74.20	398.66	10.59	-63.61
O=C([O-])C1=CC=CC(NC2CC[NH+](CCOC3=CC=C(F)C=C3)CC2)=N1	REAL300013291757	0	48	0.0	-88.98	381.75	9.61	-79.37
O=C([O-])C1=CC=CC(NC2CC[NH+](CCOC3=CC=C(F)C=C3)CC2)=N1	REAL300013291758	0	48	0.0	-88.98	381.75	9.61	-79.37
O=C([O-])C1=CC2=C(NC3CC[NH+](CCOC4=CC=C(F)C=C4)CC3)N=CNC2=N1	REAL300013291759	0	51	0.0	-113.60	411.84	10.94	-102.66
COC1=CC(CC2CN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=CC(OC)=C1	REAL300013291767	0	44	0.0	-54.52	348.40	7.38	-47.14
CC[NH+](CC)CCN(CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013291772	0	49	0.0	-86.43	382.92	12.52	-73.91
CC[NH+](CC)CCN(CC1=CC=CC=C1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013291773	0	49	0.0	-66.02	373.45	12.02	-54.00
CC[NH+](CC)CCN(CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013291774	0	49	0.0	-86.43	382.92	12.52	-73.91
CC[NH+](CC)CCN(CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013291775	0	49	0.0	-86.43	382.92	12.52	-73.91
CC[NH+](CC)CCN(CC1=CC=CC=C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013291776	0	52	0.0	-84.94	411.65	12.78	-72.16
CN(C1=CC=CC=C1)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013291843	0	44	0.0	-50.77	336.70	10.36	-40.41
COC1=CC(C[N@@H+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)=CC(OC)=C1	REAL300013291866	0	49	0.0	-81.96	388.52	7.71	-74.25
COC1=CC(C[N@H+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)=CC(OC)=C1	REAL300013291866	1	49	0.0	-82.77	388.95	7.75	-75.02
COC1=CC(C[N@@H+]2CCC(NC3=NC=CC=C3C(=O)[O-])C2)=CC(OC)=C1	REAL300013291867	0	49	0.0	-58.70	385.65	8.43	-50.27
COC1=CC(C[N@H+]2CCC(NC3=NC=CC=C3C(=O)[O-])C2)=CC(OC)=C1	REAL300013291867	1	49	0.0	-58.28	385.49	8.36	-49.92
COC1=CC(C[N@@H+]2CCC(NC3=NC=C(C(=O)[O-])C=C3Cl)C2)=CC(OC)=C1	REAL300013291868	1	49	0.0	-72.72	405.20	8.73	-63.99
COC1=CC(C[N@H+]2CCC(NC3=NC=C(C(=O)[O-])C=C3Cl)C2)=CC(OC)=C1	REAL300013291868	1	49	0.0	-72.14	402.84	8.55	-63.59
COC1=CC(C[N@@H+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)=CC(OC)=C1	REAL300013291869	0	49	0.0	-81.96	388.52	7.71	-74.25
COC1=CC(C[N@H+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)=CC(OC)=C1	REAL300013291869	1	49	0.0	-82.77	388.95	7.75	-75.02
COC1=CC(C[N@@H+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)=CC(OC)=C1	REAL300013291870	0	49	0.0	-81.96	388.52	7.71	-74.25
COC1=CC(C[N@H+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)=CC(OC)=C1	REAL300013291870	1	49	0.0	-82.77	388.95	7.75	-75.02
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)=C1	REAL300013291871	0	52	0.0	-107.70	418.38	9.07	-98.63
COC1=CC(OC)=CC(C[N@H+]2CCC(NC3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)=C1	REAL300013291871	1	52	0.0	-107.82	418.03	9.03	-98.79
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(NC(=O)C2=CC3=CC=CC=C3O2)C1	REAL300013291910	0	46	0.0	-60.44	377.32	8.88	-51.56
CC(C(=O)N1CCCC1)[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013291919	1	51	0.0	-100.80	380.93	9.02	-91.78
C[C@@H](O)C[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013291929	0	41	0.0	-101.56	322.05	5.59	-95.97
COC1=CC=CC(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1	REAL300013291949	0	43	0.0	-51.40	336.98	9.74	-41.66
CC1(C)CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@@H+]1CCO	REAL300013291964	1	41	0.0	-59.12	322.60	4.58	-54.54
CC1(C)CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@H+]1CCO	REAL300013291964	1	41	0.0	-58.84	321.02	4.91	-53.93
CC1(C)CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+]1CCO	REAL300013291965	0	44	0.0	-95.77	329.39	5.75	-90.02
CC1(C)CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+]1CCO	REAL300013291965	1	44	0.0	-94.46	327.92	6.06	-88.40
CC1=CC=C(CC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1C	REAL300013291985	0	48	0.0	-49.61	367.33	12.42	-37.19
CC1=CC(F)=CC=C1C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013291991	0	42	0.0	-53.09	331.35	11.07	-42.02
COC(=O)C1(C2=CC=CC=C2)CCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013292008	1	42	0.0	-62.19	336.37	10.04	-52.15
N#CC1=CC=C(OC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)N=C1	REAL300013292021	0	37	0.0	-53.37	319.12	6.73	-46.64
N#CC1=CC=NC=C1N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013292043	0	38	0.0	-47.62	317.75	6.89	-40.73
CC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@@H+](C2CCC2)C1	REAL300013292065	0	44	0.0	-59.01	339.86	9.28	-49.73
CC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@H+](C2CCC2)C1	REAL300013292065	1	44	0.0	-60.85	335.98	8.75	-52.10
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+](C2CCC2)C1	REAL300013292066	0	47	0.0	-98.07	342.30	11.00	-87.07
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+](C2CCC2)C1	REAL300013292066	1	47	0.0	-100.44	352.00	10.99	-89.45
C[N@@H+]1CCC2(CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)C1	REAL300013292092	0	41	0.0	-104.16	317.85	8.70	-95.46
C[N@H+]1CCC2(CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)C1	REAL300013292092	1	41	0.0	-103.49	318.32	8.71	-94.78
O=C([O-])C1=CC=C[NH+]=C1N1CCC(SC2=CC=CC(Cl)=C2)C1	REAL300013292119	0	37	0.0	-57.01	322.74	10.63	-46.38
CC(C)CC1C[N@H+](CC2=CC=C(Cl)C=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013292128	0	53	0.0	-83.16	405.91	11.97	-71.19
CC(C)CC1C[N@@H+](CC2=CC=C(Cl)C=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013292128	1	53	0.0	-83.89	407.17	11.98	-71.91
CC(C)CC1C[N@H+](CC2=CC=C(Cl)C=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013292129	0	53	0.0	-83.16	405.91	11.97	-71.19
CC(C)CC1C[N@@H+](CC2=CC=C(Cl)C=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013292129	1	53	0.0	-83.89	407.17	11.98	-71.91
CC(C)CC1C[N@H+](CC2=CC=C(Cl)C=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013292130	0	53	0.0	-83.16	405.91	11.97	-71.19
CC(C)CC1C[N@@H+](CC2=CC=C(Cl)C=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013292130	1	53	0.0	-83.89	407.17	11.98	-71.91
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CC(CNC1=NC=C(C(=O)[O-])C=C1Cl)N1CC[NH+](C)CC1	REAL300013292255	0	42	0.0	-67.40	334.20	6.08	-61.32
CC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)N1CC[NH+](C)CC1	REAL300013292256	0	45	0.0	-94.98	347.81	6.50	-88.48
CC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[NH+]1CCN(C)CC1	REAL300013292256	1	45	0.0	-101.15	348.39	6.13	-95.02
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COCC[NH+]1CCC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013292258	0	47	0.0	-98.72	369.15	8.00	-90.72
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C[N@H+](CC1=CC=CC=C1)CC1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013292286	1	50	0.0	-68.90	380.40	12.11	-56.79
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013292287	0	50	0.0	-71.78	399.28	11.97	-59.81
C[N@H+](CC1=CC=CC=C1)CC1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013292287	1	50	0.0	-70.96	399.82	11.81	-59.15
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013292288	0	50	0.0	-80.87	380.90	11.29	-69.58
C[N@H+](CC1=CC=CC=C1)CC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013292288	1	50	0.0	-81.87	380.81	11.28	-70.59
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013292289	0	50	0.0	-80.87	380.90	11.29	-69.58
C[N@H+](CC1=CC=CC=C1)CC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013292289	1	50	0.0	-81.87	380.81	11.28	-70.59
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013292290	0	53	0.0	-104.76	406.34	13.07	-91.69
C[N@H+](CC1=CC=CC=C1)CC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013292290	1	53	0.0	-106.43	406.22	13.08	-93.35
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C[NH+](C)CCNC(=O)C1=CC=CC(CNC2=CC=CC(C(=O)[O-])=N2)=C1	REAL300013292331	0	47	0.0	-88.34	385.10	7.15	-81.19
C[NH+](C)CCNC(=O)C1=CC=CC(CNC2=NC=CC=C2C(=O)[O-])=C1	REAL300013292332	0	47	0.0	-79.55	381.14	7.70	-71.85
C[NH+](C)CCNC(=O)C1=CC=CC(CNC2=NC=C(C(=O)[O-])C=C2Cl)=C1	REAL300013292333	0	47	0.0	-80.34	400.60	8.02	-72.32
C[NH+](C)CCNC(=O)C1=CC=CC(CNC2=CC=CC(C(=O)[O-])=N2)=C1	REAL300013292334	0	47	0.0	-88.34	385.10	7.15	-81.19
C[NH+](C)CCNC(=O)C1=CC=CC(CNC2=CC=CC(C(=O)[O-])=N2)=C1	REAL300013292335	0	47	0.0	-88.34	385.10	7.15	-81.19
C[NH+](C)CCNC(=O)C1=CC=CC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)=C1	REAL300013292336	0	50	0.0	-108.99	413.77	8.35	-100.64
CC1=CC(C(=O)NC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C(C)O1	REAL300013292338	0	46	0.0	-51.24	369.68	8.07	-43.17
CC1=C(C(=O)NC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=CO1	REAL300013292344	0	43	0.0	-51.64	347.73	7.25	-44.39
O=C([O-])C1=CC2=C(N3CCC[N@H+](CC4=CSC=N4)CC3)N=CNC2=N1	REAL300013292354	1	43	0.0	-101.44	347.81	9.10	-92.34
O=C([O-])C1=CC2=C(N3CCC[N@@H+](CC4=CSC=N4)CC3)N=CNC2=N1	REAL300013292354	1	43	0.0	-99.04	347.85	9.41	-89.63
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=C(F)C=CC=C2F)CC1	REAL300013292376	0	40	0.0	-54.28	338.44	8.85	-45.43
O=C([O-])C1=CC=C[NH+]=C1N1CCC(=CC2=CC=CC=C2F)CC1	REAL300013292465	0	40	0.0	-47.31	322.66	11.06	-36.25
CC(C)C[N@@H+]1CCC(CNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013292500	0	43	0.0	-67.71	347.08	9.14	-58.57
CC(C)C[N@H+]1CCC(CNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013292500	1	43	0.0	-67.53	346.96	9.11	-58.42
CC(C)C[N@@H+]1CCC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013292501	0	46	0.0	-102.30	360.26	9.47	-92.83
CC(C)C[N@H+]1CCC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013292501	1	46	0.0	-101.96	359.87	9.41	-92.55
CC[NH+](CC)CCN(CC1=CC=CS1)C1=CC=CC(C(=O)[O-])=N1	REAL300013292502	0	46	0.0	-83.45	369.37	11.30	-72.15
CC[NH+](CC)CCN(CC1=CC=CS1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013292503	0	46	0.0	-70.43	373.50	9.65	-60.78
CC[NH+](CC)CCN(CC1=CC=CS1)C1=CC=CC(C(=O)[O-])=N1	REAL300013292504	0	46	0.0	-83.45	369.37	11.30	-72.15
CC[NH+](CC)CCN(CC1=CC=CS1)C1=CC=CC(C(=O)[O-])=N1	REAL300013292505	0	46	0.0	-83.45	369.37	11.30	-72.15
CC[NH+](CC)CCN(CC1=CC=CS1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013292506	0	49	0.0	-81.44	401.56	11.84	-69.60
CC1CC(NC2=CC=CC(C(=O)[O-])=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300013292541	0	44	0.0	-79.13	347.97	9.66	-69.47
CC1CC(NC2=CC=CC(C(=O)[O-])=N2)C[N@H+]1CC1=CC=CC=C1	REAL300013292541	1	44	0.0	-79.17	348.02	9.66	-69.51
CC1CC(NC2=NC=CC=C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013292542	0	44	0.0	-57.23	339.29	9.97	-47.26
CC1CC(NC2=NC=CC=C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013292542	1	44	0.0	-57.28	339.19	9.98	-47.30
CC1CC(NC2=NC=C(C(=O)[O-])C=C2Cl)C[N@@H+]1CC1=CC=CC=C1	REAL300013292543	0	44	0.0	-67.40	358.67	10.29	-57.11
CC1CC(NC2=NC=C(C(=O)[O-])C=C2Cl)C[N@H+]1CC1=CC=CC=C1	REAL300013292543	1	44	0.0	-67.68	364.96	10.60	-57.08
CC1CC(NC2=CC=CC(C(=O)[O-])=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300013292544	0	44	0.0	-79.13	347.97	9.66	-69.47
CC1CC(NC2=CC=CC(C(=O)[O-])=N2)C[N@H+]1CC1=CC=CC=C1	REAL300013292544	1	44	0.0	-79.17	348.02	9.66	-69.51
CC1CC(NC2=CC=CC(C(=O)[O-])=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300013292545	0	44	0.0	-79.13	347.97	9.66	-69.47
CC1CC(NC2=CC=CC(C(=O)[O-])=N2)C[N@H+]1CC1=CC=CC=C1	REAL300013292545	1	44	0.0	-79.17	348.02	9.66	-69.51
CC1CC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300013292546	0	47	0.0	-102.95	380.28	11.06	-91.89
CC1CC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)C[N@H+]1CC1=CC=CC=C1	REAL300013292546	1	47	0.0	-104.00	377.08	10.96	-93.04
CC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@@H+]1CC(C)(C)O	REAL300013292642	1	44	0.0	-58.66	346.34	5.33	-53.33
CC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@H+]1CC(C)(C)O	REAL300013292642	1	44	0.0	-61.22	347.11	5.89	-55.33
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+]1CC(C)(C)O	REAL300013292643	0	47	0.0	-100.21	349.14	7.23	-92.98
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+]1CC(C)(C)O	REAL300013292643	1	47	0.0	-97.12	353.82	7.14	-89.98
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COC(=O)C1=CC=C2NC3=C(CN(C4=[NH+]C=CC=C4C(=O)[O-])CC3)C2=C1	REAL300013292653	0	43	0.0	-55.19	355.58	9.76	-45.43
O=C([O-])C1=CC2=C(NCC[N@@H+]3CCCOCC3)N=CNC2=N1	REAL300013292664	0	41	0.0	-103.10	322.41	6.46	-96.64
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O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=CC=CC=C2CO)CC1	REAL300013292714	0	43	0.0	-54.51	334.89	7.85	-46.66
C[NH+](C)CCC1=CC=C(CNC2=NC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300013292726	0	43	0.0	-72.91	365.52	10.37	-62.54
C[NH+](C)CCC1=CC=C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C=C1	REAL300013292727	0	46	0.0	-102.21	378.69	10.70	-91.51
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(O)C2=NC=CN2)CC1	REAL300013292751	0	40	0.0	-50.26	320.33	4.34	-45.92
O=C([O-])C1=CC=CC(N2CCC3(C2)CC[NH+](CC2=CC=CC=C2)CC3)=N1	REAL300013292768	0	51	0.0	-63.43	382.51	11.10	-52.33
O=C([O-])C1=CC=CN=C1N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300013292769	1	51	0.0	-64.59	381.99	11.95	-52.64
O=C([O-])C1=CN=C(N2CCC3(C2)CC[NH+](CC2=CC=CC=C2)CC3)C(Cl)=C1	REAL300013292770	0	51	0.0	-72.90	394.01	11.66	-61.24
O=C([O-])C1=CC=CC(N2CCC3(C2)CC[NH+](CC2=CC=CC=C2)CC3)=N1	REAL300013292771	0	51	0.0	-63.43	382.51	11.10	-52.33
O=C([O-])C1=CC=CC(N2CCC3(C2)CC[NH+](CC2=CC=CC=C2)CC3)=N1	REAL300013292772	0	51	0.0	-63.43	382.51	11.10	-52.33
O=C([O-])C1=CC2=C(N3CCC4(C3)CC[NH+](CC3=CC=CC=C3)CC4)N=CNC2=N1	REAL300013292773	0	54	0.0	-111.90	409.31	12.93	-98.97
CCC1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](CC)CC)C=C1	REAL300013292778	0	52	0.0	-66.93	385.34	10.82	-56.11
CCC1=CC=C(C(CNC2=NC=CC=C2C(=O)[O-])[NH+](CC)CC)C=C1	REAL300013292779	0	52	0.0	-41.12	375.11	11.81	-29.31
CCC1=CC=C(C(CNC2=NC=C(C(=O)[O-])C=C2Cl)[NH+](CC)CC)C=C1	REAL300013292780	0	52	0.0	-60.78	401.65	11.74	-49.04
CCC1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](CC)CC)C=C1	REAL300013292781	0	52	0.0	-66.93	385.34	10.82	-56.11
CCC1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](CC)CC)C=C1	REAL300013292782	0	52	0.0	-66.93	385.34	10.82	-56.11
CCC1=CC=C(C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[NH+](CC)CC)C=C1	REAL300013292783	0	55	0.0	-92.20	409.43	12.39	-79.81
O=C([O-])C1=NC(NCC(=O)NCC[NH+]2CCCCCC2)=CC=C1	REAL300013292784	0	47	0.0	-89.92	357.84	5.60	-84.32
O=C([O-])C1=CC=CN=C1NCC(=O)NCC[NH+]1CCCCCC1	REAL300013292785	0	47	0.0	-76.61	353.88	6.15	-70.46
O=C([O-])C1=CN=C(NCC(=O)NCC[NH+]2CCCCCC2)C(Cl)=C1	REAL300013292786	0	47	0.0	-73.44	373.34	6.48	-66.96
O=C([O-])C1=NC(NCC(=O)NCC[NH+]2CCCCCC2)=CC=C1	REAL300013292787	0	47	0.0	-89.92	357.84	5.60	-84.32
O=C([O-])C1=NC(NCC(=O)NCC[NH+]2CCCCCC2)=CC=C1	REAL300013292788	0	47	0.0	-89.92	357.84	5.60	-84.32
O=C([O-])C1=CC2=C(NCC(=O)NCC[NH+]3CCCCCC3)N=CNC2=N1	REAL300013292789	0	50	0.0	-112.00	386.52	6.81	-105.19
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CO)(C2=CC=CC=C2)CC1	REAL300013292791	0	43	0.0	-53.18	324.00	7.67	-45.51
CN(CCOC1=CC=C(S(N)(=O)=O)C=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013292799	0	41	0.0	-61.20	349.89	3.63	-57.57
CN(CC1=CC=CC=C1S(N)(=O)=O)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013292814	0	37	0.0	-55.16	309.04	4.16	-51.00
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=CC=C(Br)C=C2)C1	REAL300013292841	0	39	0.0	-49.84	331.19	11.05	-38.79
COCCN1N=NC2=C1CCN(C1=[NH+]C=CC=C1C(=O)[O-])C2	REAL300013292846	0	39	0.0	-55.77	320.47	5.44	-50.33
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(N2C=C(CO)N=N2)C1	REAL300013292865	0	39	0.0	-58.06	316.27	3.76	-54.30
C[N@@H+]1CCCC2(CCN(C3=NC=C(C(=O)[O-])C=C3Cl)C2)C1	REAL300013292875	0	41	0.0	-62.47	316.18	8.19	-54.28
C[N@H+]1CCCC2(CCN(C3=NC=C(C(=O)[O-])C=C3Cl)C2)C1	REAL300013292875	1	41	0.0	-64.51	317.52	7.93	-56.58
C[N@@H+]1CCCC2(CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)C1	REAL300013292876	0	44	0.0	-97.59	333.85	9.47	-88.12
C[N@H+]1CCCC2(CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)C1	REAL300013292876	1	44	0.0	-110.00	332.78	9.41	-100.59
CC(C)C1=CC=C(C[NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C=C1	REAL300013292905	0	50	0.0	-71.28	384.73	11.05	-60.23
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C[N@H+](CCOC1=CC=CC(CNC2=NC=CC=C2C(=O)[O-])=C1)C1CCOCC1	REAL300013292995	0	55	0.0	-70.70	420.78	9.61	-61.09
C[N@@H+](CCOC1=CC=CC(CNC2=NC=CC=C2C(=O)[O-])=C1)C1CCOCC1	REAL300013292995	1	55	0.0	-69.43	418.88	9.82	-59.61
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CC1(C)COCC[N@@H+]1CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013293065	1	44	0.0	-101.58	337.23	6.51	-95.07
CC1(C)COCC[N@H+]1CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013293065	1	44	0.0	-101.58	337.22	6.51	-95.07
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COC1=CC=CC(C=C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1	REAL300013293280	0	44	0.0	-48.84	346.14	10.31	-38.53
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CCC(NC1=CC=CC(C(=O)[O-])=N1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013293294	1	51	0.0	-75.89	387.29	9.59	-66.30
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CCC(NC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013293295	1	54	0.0	-100.79	419.03	11.36	-89.43
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O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=CC=CC=C2C(F)(F)F)CC1	REAL300013293326	0	42	0.0	-46.40	340.32	11.27	-35.13
O=C([O-])C1=CC=CC(NC2CC[NH+](CC3=CC=C(Br)C=C3)CC2)=N1	REAL300013293338	1	44	0.0	-88.76	366.68	10.37	-78.39
O=C([O-])C1=CC=CN=C1NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300013293339	1	44	0.0	-68.34	363.91	10.97	-57.37
O=C([O-])C1=CC=CC(NC2CC[NH+](CC3=CC=C(Br)C=C3)CC2)=N1	REAL300013293340	1	44	0.0	-88.76	366.68	10.37	-78.39
O=C([O-])C1=CC=CC(NC2CC[NH+](CC3=CC=C(Br)C=C3)CC2)=N1	REAL300013293341	1	44	0.0	-88.76	366.68	10.37	-78.39
O=C([O-])C1=CC=CC(NC2CCCCC2[NH+]2CCOCC2)=N1	REAL300013293344	0	45	0.0	-70.24	329.84	6.70	-63.54
O=C([O-])C1=CC=CC(NC2CCCCC2[NH+]2CCOCC2)=N1	REAL300013293346	0	45	0.0	-70.24	329.84	6.70	-63.54
O=C([O-])C1=CC2=C(NC3CCCCC3[NH+]3CCOCC3)N=CNC2=N1	REAL300013293347	0	48	0.0	-95.76	361.01	8.11	-87.65
O=C([O-])C1=CC=C[NH+]=C1N1CCC(=CC2=CC(Cl)=CC=C2Cl)CC1	REAL300013293349	0	40	0.0	-47.41	349.25	12.01	-35.40
O=C([O-])C1=CC=C[NH+]=C1N1CC=C(C2=CC=CC=C2C(F)(F)F)CC1	REAL300013293363	0	40	0.0	-34.58	306.27	10.12	-24.46
CN(CC1=NC(C2=CC=CC=C2)=CN1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013293375	0	39	0.0	-50.46	325.43	9.15	-41.31
CN1C=C[NH+]=C1CC1CCCN(C2=CC=CC(C(=O)[O-])=N2)C1	REAL300013293395	1	42	0.0	-64.95	330.71	8.81	-56.14
CN1C=CN=C1CC1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013293396	0	42	0.0	-63.68	324.93	9.37	-54.31
CN1C=C[NH+]=C1CC1CCCN(C2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013293397	1	42	0.0	-60.90	349.61	9.32	-51.58
CN1C=C[NH+]=C1CC1CCCN(C2=CC=CC(C(=O)[O-])=N2)C1	REAL300013293398	1	42	0.0	-64.95	330.71	8.81	-56.14
CN1C=C[NH+]=C1CC1CCCN(C2=CC=CC(C(=O)[O-])=N2)C1	REAL300013293399	1	42	0.0	-64.95	330.71	8.81	-56.14
CN1C=C[NH+]=C1CC1CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013293400	1	45	0.0	-89.30	355.95	10.61	-78.69
C[N@@H+]1CCCC2CN(C3=NC=C(C(=O)[O-])C=C3Cl)CCC21	REAL300013293414	0	41	0.0	-65.52	324.29	8.24	-57.28
C[N@H+]1CCCC2CN(C3=NC=C(C(=O)[O-])C=C3Cl)CCC21	REAL300013293414	1	41	0.0	-66.14	316.81	7.84	-58.30
C[N@@H+]1CCCC2CN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CCC21	REAL300013293415	0	44	0.0	-102.99	323.48	9.12	-93.87
C[N@H+]1CCCC2CN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CCC21	REAL300013293415	1	44	0.0	-99.56	323.55	9.13	-90.43
O=C([O-])C1=CC=CC(N2CCC3C(CCC[N@@H+]3CC3=CC=CC=C3)C2)=N1	REAL300013293416	0	51	0.0	-74.90	370.98	10.75	-64.15
O=C([O-])C1=CC=CC(N2CCC3C(CCC[N@H+]3CC3=CC=CC=C3)C2)=N1	REAL300013293416	1	51	0.0	-74.94	370.83	10.75	-64.19
O=C([O-])C1=CC=CN=C1N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013293417	0	51	0.0	-57.99	370.59	11.60	-46.39
O=C([O-])C1=CC=CN=C1N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013293417	1	51	0.0	-58.62	371.61	11.57	-47.05
O=C([O-])C1=CN=C(N2CCC3C(CCC[N@@H+]3CC3=CC=CC=C3)C2)C(Cl)=C1	REAL300013293418	0	51	0.0	-65.22	389.27	11.42	-53.80
O=C([O-])C1=CN=C(N2CCC3C(CCC[N@H+]3CC3=CC=CC=C3)C2)C(Cl)=C1	REAL300013293418	1	51	0.0	-64.72	389.75	11.26	-53.46
O=C([O-])C1=CC=CC(N2CCC3C(CCC[N@@H+]3CC3=CC=CC=C3)C2)=N1	REAL300013293419	0	51	0.0	-74.90	370.98	10.75	-64.15
O=C([O-])C1=CC=CC(N2CCC3C(CCC[N@H+]3CC3=CC=CC=C3)C2)=N1	REAL300013293419	1	51	0.0	-74.94	370.83	10.75	-64.19
O=C([O-])C1=CC=CC(N2CCC3C(CCC[N@@H+]3CC3=CC=CC=C3)C2)=N1	REAL300013293420	0	51	0.0	-74.90	370.98	10.75	-64.15
O=C([O-])C1=CC=CC(N2CCC3C(CCC[N@H+]3CC3=CC=CC=C3)C2)=N1	REAL300013293420	1	51	0.0	-74.94	370.83	10.75	-64.19
O=C([O-])C1=CC2=C(N3CCC4C(CCC[N@@H+]4CC4=CC=CC=C4)C3)N=CNC2=N1	REAL300013293421	0	54	0.0	-102.23	407.16	13.08	-89.15
O=C([O-])C1=CC2=C(N3CCC4C(CCC[N@H+]4CC4=CC=CC=C4)C3)N=CNC2=N1	REAL300013293421	1	54	0.0	-98.59	407.08	13.07	-85.52
C[N@@H+]1CCCC1C(=O)N1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013293439	0	45	0.0	-68.19	345.01	6.93	-61.26
C[N@H+]1CCCC1C(=O)N1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013293439	1	45	0.0	-83.92	338.63	6.60	-77.32
C[N@@H+]1CCCC1C(=O)N1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013293440	1	45	0.0	-66.64	344.68	7.81	-58.83
C[N@H+]1CCCC1C(=O)N1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013293440	1	45	0.0	-65.07	339.54	7.40	-57.67
C[N@@H+]1CCCC1C(=O)N1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013293441	0	45	0.0	-66.17	363.36	7.40	-58.77
C[N@H+]1CCCC1C(=O)N1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013293441	1	45	0.0	-68.88	357.14	7.25	-61.63
C[N@@H+]1CCCC1C(=O)N1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013293442	0	45	0.0	-68.19	345.01	6.93	-61.26
C[N@H+]1CCCC1C(=O)N1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013293442	1	45	0.0	-83.92	338.63	6.60	-77.32
C[N@@H+]1CCCC1C(=O)N1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013293443	0	45	0.0	-68.19	345.01	6.93	-61.26
C[N@H+]1CCCC1C(=O)N1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013293443	1	45	0.0	-83.92	338.63	6.60	-77.32
C[N@@H+]1CCCC1C(=O)N1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013293444	0	48	0.0	-103.56	369.87	8.73	-94.83
C[N@H+]1CCCC1C(=O)N1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013293444	1	48	0.0	-93.54	368.14	8.73	-84.81
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OC2=CC=C(Cl)C=C2)C1	REAL300013293448	0	37	0.0	-47.56	315.27	9.15	-38.41
COCC[NH+]1C2CCC1CC(N(C)C1=CC=CC(C(=O)[O-])=N1)C2	REAL300013293453	0	48	0.0	-83.88	322.03	6.22	-77.66
COCC[NH+]1C2CCC1CC(N(C)C1=NC=CC=C1C(=O)[O-])C2	REAL300013293454	0	48	0.0	-46.01	323.53	8.77	-37.24
COCC[NH+]1C2CCC1CC(N(C)C1=NC=C(C(=O)[O-])C=C1Cl)C2	REAL300013293455	0	48	0.0	-59.50	348.20	9.36	-50.14
COCC[NH+]1C2CCC1CC(N(C)C1=CC=CC(C(=O)[O-])=N1)C2	REAL300013293456	0	48	0.0	-83.88	322.03	6.22	-77.66
COCC[NH+]1C2CCC1CC(N(C)C1=CC=CC(C(=O)[O-])=N1)C2	REAL300013293457	0	48	0.0	-83.88	322.03	6.22	-77.66
COCC[NH+]1C2CCC1CC(N(C)C1=C3C=C(C(=O)[O-])N=C3NC=N1)C2	REAL300013293458	0	51	0.0	-100.29	349.43	8.65	-91.64
COC1=CC2=C(C=C1Cl)CN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013293494	0	37	0.0	-40.19	301.80	8.02	-32.17
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300013293500	0	42	0.0	-54.54	346.37	10.08	-44.46
CSC1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](C)C)C=C1	REAL300013293517	0	44	0.0	-73.65	355.93	10.39	-63.26
CSC1=CC=C(C(CNC2=NC=CC=C2C(=O)[O-])[NH+](C)C)C=C1	REAL300013293518	0	44	0.0	-63.47	354.82	10.21	-53.26
CSC1=CC=C(C(CNC2=NC=C(C(=O)[O-])C=C2Cl)[NH+](C)C)C=C1	REAL300013293519	0	44	0.0	-68.47	370.80	11.15	-57.32
CSC1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](C)C)C=C1	REAL300013293520	0	44	0.0	-73.65	355.93	10.39	-63.26
CSC1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](C)C)C=C1	REAL300013293521	0	44	0.0	-73.65	355.93	10.39	-63.26
CSC1=CC=C(C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[NH+](C)C)C=C1	REAL300013293522	0	47	0.0	-111.96	387.21	10.85	-101.11
CC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@@H+](C2CC2)C1	REAL300013293530	0	41	0.0	-60.68	319.32	8.65	-52.03
CC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@H+](C2CC2)C1	REAL300013293530	1	41	0.0	-60.23	326.56	9.06	-51.17
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+](C2CC2)C1	REAL300013293531	0	44	0.0	-97.74	326.53	10.47	-87.27
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+](C2CC2)C1	REAL300013293531	1	44	0.0	-97.63	326.23	10.45	-87.18
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(F)C=CC(Br)=C2C1	REAL300013293555	0	33	0.0	-49.76	292.23	9.65	-40.11
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC=C(C3=CC=CC=C3)C=C2C1	REAL300013293584	0	43	0.0	-51.46	342.74	12.51	-38.95
CC(C)C[C@@H](C[NH+]1CCCC1)NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013293597	0	46	0.0	-67.95	354.30	10.56	-57.39
CC(C)C[C@@H](C[NH+]1CCCC1)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013293598	0	49	0.0	-98.14	376.76	10.35	-87.79
O=C([O-])C1=CN=C(NCC2CCC[N@H+]2CCCO)C(Cl)=C1	REAL300013293599	0	41	0.0	-65.21	335.98	5.45	-59.76
O=C([O-])C1=CN=C(NCC2CCC[N@@H+]2CCCO)C(Cl)=C1	REAL300013293599	1	41	0.0	-66.67	333.89	4.69	-61.98
O=C([O-])C1=CC2=C(NCC3CCC[N@H+]3CCCO)N=CNC2=N1	REAL300013293600	0	44	0.0	-97.16	347.66	5.58	-91.58
O=C([O-])C1=CC2=C(NCC3CCC[N@@H+]3CCCO)N=CNC2=N1	REAL300013293600	1	44	0.0	-97.41	348.48	5.62	-91.79
COC(=O)C1=CC=CC=C1CC1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013293614	0	48	0.0	-49.18	376.13	11.64	-37.54
CC1COCC[N@@H+]1CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013293625	1	41	0.0	-102.87	325.62	6.22	-96.65
CC1COCC[N@H+]1CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013293625	1	41	0.0	-102.87	325.62	6.22	-96.65
C[N@H+](CCN1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1)CC1=CC=CC=C1	REAL300013293626	0	52	0.0	-81.34	397.62	8.78	-72.56
C[N@@H+](CCN1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1)CC1=CC=CC=C1	REAL300013293626	1	52	0.0	-81.61	397.67	8.77	-72.84
C[N@H+](CCN1CCN(C2=NC=CC=C2C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013293627	0	52	0.0	-70.46	398.08	9.66	-60.80
C[N@@H+](CCN1CCN(C2=NC=CC=C2C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013293627	1	52	0.0	-70.10	398.14	9.65	-60.45
C[N@H+](CCN1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1)CC1=CC=CC=C1	REAL300013293628	0	52	0.0	-69.41	416.22	9.36	-60.05
C[N@@H+](CCN1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1)CC1=CC=CC=C1	REAL300013293628	1	52	0.0	-69.46	416.27	9.36	-60.10
C[N@H+](CCN1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1)CC1=CC=CC=C1	REAL300013293629	0	52	0.0	-81.34	397.62	8.78	-72.56
C[N@@H+](CCN1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1)CC1=CC=CC=C1	REAL300013293629	1	52	0.0	-81.61	397.67	8.77	-72.84
C[N@H+](CCN1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1)CC1=CC=CC=C1	REAL300013293630	0	55	0.0	-100.95	421.87	10.53	-90.42
C[N@@H+](CCN1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1)CC1=CC=CC=C1	REAL300013293630	1	55	0.0	-101.12	423.06	10.69	-90.43
C[NH+](C)CCOC1=CC=C(CCNC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013293631	0	47	0.0	-80.15	378.92	9.21	-70.94
C[NH+](C)CCOC1=CC=C(CCNC2=NC=CC=C2C(=O)[O-])C=C1	REAL300013293632	0	47	0.0	-71.12	374.96	9.75	-61.37
C[NH+](C)CCOC1=CC=C(CCNC2=NC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300013293633	0	47	0.0	-69.84	394.42	10.08	-59.76
C[NH+](C)CCOC1=CC=C(CCNC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013293634	0	47	0.0	-80.15	378.92	9.21	-70.94
C[NH+](C)CCOC1=CC=C(CCNC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013293635	0	47	0.0	-80.15	378.92	9.21	-70.94
C[NH+](C)CCOC1=CC=C(CCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C=C1	REAL300013293636	0	50	0.0	-102.83	407.60	10.41	-92.42
COC1=CC=[NH+]C(N2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013293647	0	41	0.0	-70.57	325.46	5.63	-64.94
COC1=CC=[NH+]C(N2CCN(C3=NC=CC=C3C(=O)[O-])CC2)=C1	REAL300013293648	1	41	0.0	-55.90	325.93	6.49	-49.41
COC1=CC=[NH+]C(N2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)=C1	REAL300013293649	0	41	0.0	-62.61	343.64	6.33	-56.28
COC1=CC=[NH+]C(N2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013293650	0	41	0.0	-70.57	325.46	5.63	-64.94
COC1=CC=[NH+]C(N2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013293651	0	41	0.0	-70.57	325.46	5.63	-64.94
COC1=CC=[NH+]C(N2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)=C1	REAL300013293652	0	44	0.0	-98.71	350.89	7.51	-91.20
O=C([O-])C1=CC2=C(N3CCC[N@@H+](CCO)CC3)N=CNC2=N1	REAL300013293665	0	41	0.0	-101.06	313.86	5.92	-95.14
O=C([O-])C1=CC2=C(N3CCC[N@H+](CCO)CC3)N=CNC2=N1	REAL300013293665	1	41	0.0	-97.26	314.22	5.81	-91.45
CCCCNC(=O)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013293673	0	45	0.0	-61.53	352.77	7.55	-53.98
CCOCC[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013293693	0	44	0.0	-98.13	345.14	8.21	-89.92
CC(C)[N@@H+]1CCOC(CN2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C1	REAL300013293694	0	53	0.0	-77.86	384.93	5.97	-71.89
CC(C)[N@H+]1CCOC(CN2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C1	REAL300013293694	1	53	0.0	-77.94	384.88	5.96	-71.98
CC(C)[N@@H+]1CCOC(CN2CCN(C3=NC=CC=C3C(=O)[O-])CC2)C1	REAL300013293695	0	53	0.0	-68.99	384.38	6.88	-62.11
CC(C)[N@H+]1CCOC(CN2CCN(C3=NC=CC=C3C(=O)[O-])CC2)C1	REAL300013293695	1	53	0.0	-68.67	384.10	6.62	-62.05
CC(C)[N@@H+]1CCOC(CN2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)C1	REAL300013293696	0	53	0.0	-67.64	403.12	6.68	-60.96
CC(C)[N@H+]1CCOC(CN2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)C1	REAL300013293696	1	53	0.0	-67.29	403.51	6.55	-60.74
CC(C)[N@@H+]1CCOC(CN2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C1	REAL300013293697	0	53	0.0	-77.86	384.93	5.97	-71.89
CC(C)[N@H+]1CCOC(CN2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C1	REAL300013293697	1	53	0.0	-77.94	384.88	5.96	-71.98
CC(C)[N@@H+]1CCOC(CN2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C1	REAL300013293698	0	53	0.0	-77.86	384.93	5.97	-71.89
CC(C)[N@H+]1CCOC(CN2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C1	REAL300013293698	1	53	0.0	-77.94	384.88	5.96	-71.98
CC(C)[N@@H+]1CCOC(CN2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)C1	REAL300013293699	0	56	0.0	-101.30	410.26	7.88	-93.42
CC(C)[N@H+]1CCOC(CN2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)C1	REAL300013293699	1	56	0.0	-102.18	401.22	7.65	-94.53
CC(C)N1CCOC(C[NH+]2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)C1	REAL300013293699	1	56	0.0	-98.59	412.72	7.79	-90.80
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COC1=CC=C(S(=O)(=O)N2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013293753	0	48	0.0	-50.65	383.13	6.96	-43.69
CC1=NC(S(=O)(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=CN1C	REAL300013293767	0	44	0.0	-57.03	366.95	5.53	-51.50
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O=C([O-])C1=CC=CN=C1NC1CC[NH+](C2CCCCC2O)CC1	REAL300013293809	0	48	0.0	-59.42	350.32	6.82	-52.60
O=C([O-])C1=CN=C(NC2CC[NH+](C3CCCCC3O)CC2)C(Cl)=C1	REAL300013293810	0	48	0.0	-64.35	368.19	6.73	-57.62
O=C([O-])C1=CC=CC(NC2CC[NH+](C3CCCCC3O)CC2)=N1	REAL300013293811	0	48	0.0	-77.86	351.27	5.74	-72.12
O=C([O-])C1=CC2=C(NC3CC[NH+](C4CCCCC4O)CC3)N=CNC2=N1	REAL300013293812	0	51	0.0	-103.60	382.84	7.46	-96.14
CCOC1=CC=NC(N2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013293835	0	46	0.0	-49.61	359.23	7.71	-41.90
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(C2=NC3=C(CCCC3)S2)C1	REAL300013293843	0	45	0.0	-54.92	358.43	10.25	-44.67
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C[N@@H+]1CCC2C(CCCN2C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013293859	0	44	0.0	-95.68	339.58	9.20	-86.48
C[N@H+]1CCC2C(CCCN2C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013293859	1	44	0.0	-95.69	339.73	9.21	-86.48
CN(CC1=CC=CC(Cl)=C1Cl)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013293893	0	32	0.0	-53.50	290.47	9.48	-44.02
CCCN(C(=O)C1=CC=CS1)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013293913	0	49	0.0	-67.57	380.94	10.22	-57.35
COC1=CC2=C(CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C(OC)=C1OC	REAL300013293917	0	48	0.0	-46.53	363.65	7.86	-38.67
COCCCS(=O)(=O)N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013293923	0	44	0.0	-64.78	362.32	4.21	-60.57
COC(=O)C1=CC=CC(NC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1	REAL300013293931	0	47	0.0	-58.01	378.07	9.51	-48.50
CC1=CC(OCC(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=CC(C)=C1	REAL300013293937	0	50	0.0	-55.29	398.13	10.90	-44.39
CCOC(=O)C1=CN(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)N=C1	REAL300013293969	0	45	0.0	-56.29	368.54	9.30	-46.99
CC(C)(CC1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])C1)C(N)=O	REAL300013293975	0	45	0.0	-50.57	334.67	5.92	-44.65
CCOC(=O)C1(C(=O)C2=CC=CC=C2)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013293983	0	50	0.0	-48.69	391.24	11.47	-37.22
O=C([O-])C1=CC=C[NH+]=C1N1C[C@H]2C[C@@H](C1)CN1C(=O)C=CC=C21	REAL300013293987	0	40	0.0	-70.73	304.09	9.22	-61.51
CN(CCN(C)C1=[NH+]C=CC=C1C(=O)[O-])C1=CC=C(S(N)(=O)=O)C=C1	REAL300013293995	0	45	0.0	-58.79	372.18	4.40	-54.39
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=NC(C(F)(F)F)=CS2)CC1	REAL300013294004	0	38	0.0	-49.34	334.86	8.61	-40.73
CN1C=C(C2CN(C3=[NH+]C=CC=C3C(=O)[O-])CC23CCOCC3)C=N1	REAL300013294047	0	47	0.0	-51.19	353.03	7.38	-43.81
CC(C)N1C=C(C2=CCCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)N=N1	REAL300013294058	0	45	0.0	-50.02	341.31	8.58	-41.44
C[N@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCC1	REAL300013294069	0	47	0.0	-77.50	356.65	10.39	-67.11
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCC1	REAL300013294069	1	47	0.0	-71.63	354.56	10.03	-61.60
C[N@H+](CC1=CC=CC=C1)C1(CNC2=NC=CC=C2C(=O)[O-])CCC1	REAL300013294070	0	47	0.0	-57.84	356.17	10.92	-46.92
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=NC=CC=C2C(=O)[O-])CCC1	REAL300013294070	1	47	0.0	-50.08	354.40	10.57	-39.51
C[N@H+](CC1=CC=CC=C1)C1(CNC2=NC=C(C(=O)[O-])C=C2Cl)CCC1	REAL300013294071	0	47	0.0	-64.67	373.59	10.95	-53.72
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=NC=C(C(=O)[O-])C=C2Cl)CCC1	REAL300013294071	1	47	0.0	-64.73	374.06	10.89	-53.84
C[N@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCC1	REAL300013294072	0	47	0.0	-77.50	356.65	10.39	-67.11
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCC1	REAL300013294072	1	47	0.0	-71.63	354.56	10.03	-61.60
C[N@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCC1	REAL300013294073	0	47	0.0	-77.50	356.65	10.39	-67.11
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCC1	REAL300013294073	1	47	0.0	-71.63	354.56	10.03	-61.60
C[N@H+](CC1=CC=CC=C1)C1(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCC1	REAL300013294074	0	50	0.0	-102.07	385.37	11.59	-90.48
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCC1	REAL300013294074	1	50	0.0	-98.55	387.07	11.21	-87.34
CN(CCC1=CC=C(Br)C=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013294102	0	35	0.0	-48.88	309.14	10.15	-38.73
CC(CN1CC[NH+](C)CC1)NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013294128	0	42	0.0	-64.26	339.40	6.28	-57.98
CC(C[NH+]1CCN(C)CC1)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013294129	0	45	0.0	-98.45	352.66	6.67	-91.78
CC(CN1CC[NH+](C)CC1)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013294129	1	45	0.0	-95.98	355.38	6.76	-89.22
CC[NH+]1CCN(C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2F)CC1	REAL300013294130	0	49	0.0	-79.85	389.10	8.82	-71.03
CC[NH+]1CCN(C2=CC=C(CNC3=NC=CC=C3C(=O)[O-])C=C2F)CC1	REAL300013294131	0	49	0.0	-68.14	385.14	9.36	-58.78
CC[NH+]1CCN(C2=CC=C(CNC3=NC=C(C(=O)[O-])C=C3Cl)C=C2F)CC1	REAL300013294132	0	49	0.0	-71.85	404.60	9.68	-62.17
CC[NH+]1CCN(C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2F)CC1	REAL300013294133	0	49	0.0	-79.85	389.10	8.82	-71.03
CC[NH+]1CCN(C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2F)CC1	REAL300013294134	0	49	0.0	-79.85	389.10	8.82	-71.03
CC[NH+]1CCN(C2=CC=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C=C2F)CC1	REAL300013294135	0	52	0.0	-101.32	417.77	10.02	-91.30
CCOC1=CC=CC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013294137	0	44	0.0	-53.60	350.47	6.91	-46.69
O=C([O-])C1=CC=CC(NCCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)=N1	REAL300013294148	0	49	0.0	-86.32	395.37	9.07	-77.25
O=C([O-])C1=CC=CN=C1NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013294149	0	49	0.0	-65.04	391.92	9.67	-55.37
O=C([O-])C1=CC=CC(NCCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)=N1	REAL300013294150	0	49	0.0	-86.32	395.37	9.07	-77.25
O=C([O-])C1=CC=CC(NCCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)=N1	REAL300013294151	0	49	0.0	-86.32	395.37	9.07	-77.25
O=C([O-])C1=CC=C[NH+]=C1N1CCCN(C(=O)CC2CCCC2)CC1	REAL300013294175	0	49	0.0	-48.19	364.20	10.56	-37.63
CC1CCCC(C)[NH+]1CCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013294186	0	43	0.0	-62.69	334.37	8.44	-54.25
CC1CCCC(C)[NH+]1CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013294187	0	46	0.0	-97.89	347.55	8.80	-89.09
COC1CC[NH+](C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCC2)CC1	REAL300013294192	0	51	0.0	-71.35	367.57	8.02	-63.33
COC1CC[NH+](C2(CNC3=NC=CC=C3C(=O)[O-])CCCC2)CC1	REAL300013294193	0	51	0.0	-48.81	367.32	8.75	-40.06
COC1CC[NH+](C2(CNC3=NC=C(C(=O)[O-])C=C3Cl)CCCC2)CC1	REAL300013294194	0	51	0.0	-63.94	386.72	9.05	-54.89
COC1CC[NH+](C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCC2)CC1	REAL300013294195	0	51	0.0	-71.35	367.57	8.02	-63.33
COC1CC[NH+](C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCC2)CC1	REAL300013294196	0	51	0.0	-71.35	367.57	8.02	-63.33
COC1CC[NH+](C2(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)CCCC2)CC1	REAL300013294197	0	54	0.0	-97.29	399.89	9.40	-87.89
O=C([O-])C1=CN=C(N2CCC([NH+]3CCCCC3)C2)C(Cl)=C1	REAL300013294204	0	41	0.0	-62.82	318.75	8.43	-54.39
O=C([O-])C1=CC2=C(N3CCC([NH+]4CCCCC4)C3)N=CNC2=N1	REAL300013294205	0	44	0.0	-102.97	335.25	9.73	-93.24
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC3=CC=CC(C(=O)[O-])=N3)=C2)C1	REAL300013294210	0	51	0.0	-78.60	398.77	7.33	-71.27
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC3=CC=CC(C(=O)[O-])=N3)=C2)C1	REAL300013294210	1	51	0.0	-78.66	398.77	7.33	-71.33
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC3=NC=CC=C3C(=O)[O-])=C2)C1	REAL300013294211	0	51	0.0	-62.35	394.76	7.88	-54.47
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC3=NC=CC=C3C(=O)[O-])=C2)C1	REAL300013294211	1	51	0.0	-67.11	394.81	7.87	-59.24
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC3=CC=CC(C(=O)[O-])=N3)=C2)C1	REAL300013294212	0	51	0.0	-78.60	398.77	7.33	-71.27
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC3=CC=CC(C(=O)[O-])=N3)=C2)C1	REAL300013294212	1	51	0.0	-78.66	398.77	7.33	-71.33
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC3=CC=CC(C(=O)[O-])=N3)=C2)C1	REAL300013294213	0	51	0.0	-78.60	398.77	7.33	-71.27
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC3=CC=CC(C(=O)[O-])=N3)=C2)C1	REAL300013294213	1	51	0.0	-78.66	398.77	7.33	-71.33
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CC1(C)C[N@@H+](C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCCC2)CCO1	REAL300013294265	0	54	0.0	-68.57	374.03	8.48	-60.09
CC1(C)C[N@H+](C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCCC2)CCO1	REAL300013294265	1	54	0.0	-69.16	373.73	8.43	-60.73
CC1(C)C[N@@H+](C2(CNC3=NC=CC=C3C(=O)[O-])CCCCC2)CCO1	REAL300013294266	0	54	0.0	-43.52	369.99	9.02	-34.50
CC1(C)C[N@H+](C2(CNC3=NC=CC=C3C(=O)[O-])CCCCC2)CCO1	REAL300013294266	1	54	0.0	-50.33	365.90	9.58	-40.75
CC1(C)C[N@@H+](C2(CNC3=NC=C(C(=O)[O-])C=C3Cl)CCCCC2)CCO1	REAL300013294267	0	54	0.0	-61.89	389.58	9.33	-52.56
CC1(C)C[N@H+](C2(CNC3=NC=C(C(=O)[O-])C=C3Cl)CCCCC2)CCO1	REAL300013294267	1	54	0.0	-62.42	389.23	9.29	-53.13
CC1(C)C[N@@H+](C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCCC2)CCO1	REAL300013294268	0	54	0.0	-68.57	374.03	8.48	-60.09
CC1(C)C[N@H+](C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCCC2)CCO1	REAL300013294268	1	54	0.0	-69.16	373.73	8.43	-60.73
CC1(C)C[N@@H+](C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCCC2)CCO1	REAL300013294269	0	54	0.0	-68.57	374.03	8.48	-60.09
CC1(C)C[N@H+](C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCCC2)CCO1	REAL300013294269	1	54	0.0	-69.16	373.73	8.43	-60.73
CC1(C)C[N@@H+](C2(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)CCCCC2)CCO1	REAL300013294270	0	57	0.0	-93.61	402.77	9.65	-83.96
CC1(C)C[N@H+](C2(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)CCCCC2)CCO1	REAL300013294270	1	57	0.0	-97.49	399.35	10.26	-87.23
CC[NH+]1CCN(C(=O)CC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013294285	1	54	0.0	-87.35	400.29	9.08	-78.27
CCN1CCN(C(=O)CC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)CC1	REAL300013294286	0	54	0.0	-50.51	400.21	8.19	-42.32
CC[NH+]1CCN(C(=O)CC2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)CC1	REAL300013294287	1	54	0.0	-77.14	418.68	9.76	-67.38
CC[NH+]1CCN(C(=O)CC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013294288	1	54	0.0	-87.35	400.29	9.08	-78.27
CC[NH+]1CCN(C(=O)CC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013294289	1	54	0.0	-87.35	400.29	9.08	-78.27
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CC1CN(C2=[NH+]C=CC=C2C(=O)[O-])CCN1C1=NC=CN2C=NN=C12	REAL300013294323	0	42	0.0	-54.41	329.72	11.30	-43.11
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CC(C)[NH+]1CCC(N2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013294332	0	52	0.0	-79.21	367.65	6.92	-72.29
CC(C)[NH+]1CCC(N2CCN(C3=NC=CC=C3C(=O)[O-])CC2)CC1	REAL300013294333	0	52	0.0	-65.27	368.13	7.80	-57.47
CC(C)[NH+]1CCC(N2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)CC1	REAL300013294334	0	52	0.0	-65.91	386.27	7.50	-58.41
CC(C)[NH+]1CCC(N2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013294335	0	52	0.0	-79.21	367.65	6.92	-72.29
CC(C)[NH+]1CCC(N2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013294336	0	52	0.0	-79.21	367.65	6.92	-72.29
CC(C)[NH+]1CCC(N2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)CC1	REAL300013294337	0	55	0.0	-99.25	396.38	9.04	-90.21
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CCCOC1=CC=C2CN(C3=[NH+]C=CC=C3C(=O)[O-])CCC2=C1	REAL300013294358	0	43	0.0	-51.74	341.34	10.16	-41.58
CN1C=CN=C1C(O)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013294372	0	43	0.0	-49.76	338.79	5.94	-43.82
COC1=CC=C(Br)C=C1CN(C)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013294378	0	36	0.0	-48.45	315.49	8.74	-39.71
O=C([O-])C1=CC=C[NH+]=C1N1CCC(SC2=CC=C(Cl)C=C2)CC1	REAL300013294400	0	40	0.0	-53.05	342.28	11.49	-41.56
CCCOC1=CC2=C(C=C1OCCC)CCN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013294423	0	56	0.0	-52.14	430.47	12.34	-39.80
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(CCCC2=CC=CC=C2)C1	REAL300013294454	0	48	0.0	-52.16	372.56	12.81	-39.35
CC1=C(C2=CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C2=CC=CC=C2N1	REAL300013294474	0	44	0.0	-42.09	342.16	10.17	-31.92
CC1=CC=C(NC(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1Cl	REAL300013294486	0	45	0.0	-51.74	371.35	9.56	-42.18
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)NC2=CC=C(O)C=C2)CC1	REAL300013294490	0	44	0.0	-65.15	355.17	6.02	-59.13
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CC1=C[NH+]=CC=C1OC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013294585	1	42	0.0	-75.25	333.66	7.59	-67.66
CC1=CN=CC=C1OC1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013294586	0	42	0.0	-55.82	334.07	8.49	-47.33
CC1=C[NH+]=CC=C1OC1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013294587	1	42	0.0	-64.82	352.18	8.29	-56.53
CC1=C[NH+]=CC=C1OC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013294588	1	42	0.0	-75.25	333.66	7.59	-67.66
CC1=C[NH+]=CC=C1OC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013294589	1	42	0.0	-75.25	333.66	7.59	-67.66
CC1=C[NH+]=CC=C1OC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013294590	1	45	0.0	-100.59	359.34	9.37	-91.22
COC1=CC=CC=C1C1=CSC(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=N1	REAL300013294592	0	49	0.0	-58.73	400.23	11.00	-47.73
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OC2=NC=CC=C2F)CC1	REAL300013294603	0	39	0.0	-57.02	322.69	7.25	-49.77
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(OC2=NC=CC=C2F)C1	REAL300013294609	0	39	0.0	-53.03	322.69	7.23	-45.80
O=C([O-])C1=CC=C[NH+]=C1N1CCC(N2C=CC([N+](=O)[O-])=N2)CC1	REAL300013294615	0	38	0.0	-53.28	320.34	9.36	-43.92
CC(C)CN1CC2CN(C3=[NH+]C=CC=C3C(=O)[O-])CCN2C1=O	REAL300013294621	0	45	0.0	-53.56	348.11	8.31	-45.25
O=C([O-])C1=CC=C[NH+]=C1N1CCC(O)(C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300013294654	0	50	0.0	-50.45	386.88	10.87	-39.58
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013294657	0	45	0.0	-72.19	324.43	7.05	-65.14
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013294657	1	45	0.0	-69.17	337.82	6.17	-63.00
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013294658	0	45	0.0	-66.73	341.48	7.11	-59.62
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013294658	1	45	0.0	-65.83	352.63	6.95	-58.88
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013294659	0	45	0.0	-72.19	324.43	7.05	-65.14
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013294659	1	45	0.0	-69.17	337.82	6.17	-63.00
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013294660	0	45	0.0	-72.19	324.43	7.05	-65.14
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013294660	1	45	0.0	-69.17	337.82	6.17	-63.00
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013294661	0	48	0.0	-101.27	352.45	8.61	-92.66
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013294661	1	48	0.0	-97.20	365.06	8.08	-89.12
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O=C([O-])C1=CN=C(NCC2CSCC[N@@H+]2CC2=CC=CC=C2)C(Cl)=C1	REAL300013294672	1	45	0.0	-70.67	371.27	10.67	-60.00
O=C([O-])C1=CN=C(NCC2CSCC[N@H+]2CC2=CC=CC=C2)C(Cl)=C1	REAL300013294672	1	45	0.0	-71.55	371.48	10.69	-60.86
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O=C([O-])C1=CC=CC(NCC2CSCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300013294674	1	45	0.0	-72.55	350.38	9.84	-62.71
O=C([O-])C1=CC2=C(NCC3CSCC[N@@H+]3CC3=CC=CC=C3)N=CNC2=N1	REAL300013294675	0	48	0.0	-98.08	378.90	11.04	-87.04
O=C([O-])C1=CC2=C(NCC3CSCC[N@H+]3CC3=CC=CC=C3)N=CNC2=N1	REAL300013294675	1	48	0.0	-107.33	384.21	11.01	-96.32
CCOC(=O)C1(S(C)=O)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013294735	0	43	0.0	-50.77	342.40	6.21	-44.56
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COC1=CC=C(CC2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)C=C1	REAL300013294787	0	46	0.0	-54.10	358.32	10.50	-43.60
CC(C)(C)C1=CC=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013294795	0	51	0.0	-51.64	383.76	12.77	-38.87
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300013294801	0	41	0.0	-55.61	335.82	11.10	-44.51
O=C([O-])C1=CC=C[NH+]=C1N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1	REAL300013294808	1	47	0.0	-54.83	381.48	6.68	-48.15
O=C([O-])C1=CC=C[NH+]=C1N1CCC2CN(C(=O)C(F)(F)F)CC2C1	REAL300013294812	0	40	0.0	-52.89	329.95	7.70	-45.19
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=CC=CC(Br)=C2)C1	REAL300013294818	0	36	0.0	-53.31	309.88	10.25	-43.06
CC(=O)NC1=CC=C(C[NH+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)CC2)C=C1	REAL300013294835	0	51	0.0	-91.03	401.47	8.64	-82.39
CC(=O)NC1=CC=C(C[NH+]2CCC(NC3=NC=CC=C3C(=O)[O-])CC2)C=C1	REAL300013294836	0	51	0.0	-70.93	398.79	9.26	-61.67
CC(=O)NC1=CC=C(C[NH+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)CC2)C=C1	REAL300013294837	0	51	0.0	-91.03	401.47	8.64	-82.39
CC(=O)NC1=CC=C(C[NH+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)CC2)C=C1	REAL300013294838	0	51	0.0	-91.03	401.47	8.64	-82.39
COC1=CC=C2OCCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2=C1	REAL300013294847	0	38	0.0	-43.07	293.57	7.62	-35.45
O=C([O-])C1=CN=C(NCC[NH+]2CC3CCC(C2)O3)C(Cl)=C1	REAL300013294854	0	39	0.0	-68.30	314.34	6.54	-61.76
O=C([O-])C1=CC2=C(NCC[NH+]3CC4CCC(C3)O4)N=CNC2=N1	REAL300013294855	0	42	0.0	-105.38	327.52	6.89	-98.49
C[C@@H]1CN(C2=NC=C(C(=O)[O-])C=C2Cl)C[C@H](C)[N@H+]1CCO	REAL300013294856	1	41	0.0	-59.09	321.06	4.68	-54.41
C[C@@H]1CN(C2=NC=C(C(=O)[O-])C=C2Cl)C[C@H](C)[N@@H+]1CCO	REAL300013294856	1	41	0.0	-59.94	320.46	4.07	-55.87
C[C@@H]1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C[C@H](C)[N@H+]1CCO	REAL300013294857	0	44	0.0	-92.65	326.88	5.78	-86.87
C[C@@H]1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C[C@H](C)[N@@H+]1CCO	REAL300013294857	1	44	0.0	-99.57	324.09	5.92	-93.65
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O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(O)C2=CC=C(Cl)C=C2)CC1	REAL300013294892	0	43	0.0	-52.59	353.42	8.65	-43.94
CN(C)C(=O)CC[NH+]1CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013294897	0	47	0.0	-87.57	363.39	7.03	-80.54
CN(C)C(=O)CC[NH+]1CCC(NC2=NC=CC=C2C(=O)[O-])CC1	REAL300013294898	0	47	0.0	-67.38	361.45	7.73	-59.65
CN(C)C(=O)CC[NH+]1CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013294899	0	47	0.0	-75.44	380.40	8.06	-67.38
CN(C)C(=O)CC[NH+]1CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013294900	0	47	0.0	-87.57	363.39	7.03	-80.54
CN(C)C(=O)CC[NH+]1CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013294901	0	47	0.0	-87.57	363.39	7.03	-80.54
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CC(C)CC(CNC1=CC=CC(C(=O)[O-])=N1)[NH2+]C(C)C1=CC=CC=C1	REAL300013295032	0	52	0.0	-78.33	392.09	10.58	-67.75
CC(C)CC(CNC1=NC=CC=C1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013295033	0	52	0.0	-50.24	386.04	11.24	-39.00
CC(C)CC(CNC1=NC=C(C(=O)[O-])C=C1Cl)[NH2+]C(C)C1=CC=CC=C1	REAL300013295034	0	52	0.0	-68.49	410.61	10.94	-57.55
CC(C)CC(CNC1=CC=CC(C(=O)[O-])=N1)[NH2+]C(C)C1=CC=CC=C1	REAL300013295035	0	52	0.0	-78.33	392.09	10.58	-67.75
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COC1=CC=C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC(C)C2=C1	REAL300013295098	0	43	0.0	-46.91	332.04	9.57	-37.34
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CC1CC[NH+](C2CCC(NC3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)CC1	REAL300013295166	0	53	0.0	-103.76	395.73	11.14	-92.62
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O=C([O-])C1=CC=C[NH+]=C1N1CCC(OC2=CC=C(F)N=C2)CC1	REAL300013295388	0	39	0.0	-58.40	318.52	7.62	-50.78
O=C([O-])C1=CC=C[NH+]=C1N1CCC(O)(CC2=CC=CC=C2F)CC1	REAL300013295402	0	43	0.0	-50.09	336.07	8.03	-42.06
O=C([O-])C1=CC=C[NH+]=C1N1CCC(COC2=CC=C(Cl)N=C2)CC1	REAL300013295437	0	42	0.0	-53.17	352.28	8.89	-44.28
CN(CC[N@@H+]1CCOC(C)(C)C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013295451	0	47	0.0	-100.26	359.49	8.63	-91.63
CN(CC[N@H+]1CCOC(C)(C)C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013295451	1	47	0.0	-105.96	359.38	8.61	-97.35
O=C([O-])C1=CC=CC(N2CCC(C3=[NH+]C=C4CCCCN43)CC2)=N1	REAL300013295456	1	46	0.0	-67.17	353.66	9.75	-57.42
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=NC=C3CCCCN32)CC1	REAL300013295457	0	46	0.0	-63.24	353.28	10.40	-52.84
O=C([O-])C1=CN=C(N2CCC(C3=[NH+]C=C4CCCCN43)CC2)C(Cl)=C1	REAL300013295458	1	46	0.0	-58.52	372.04	10.43	-48.09
O=C([O-])C1=CC=CC(N2CCC(C3=[NH+]C=C4CCCCN43)CC2)=N1	REAL300013295459	1	46	0.0	-67.17	353.66	9.75	-57.42
O=C([O-])C1=CC=CC(N2CCC(C3=[NH+]C=C4CCCCN43)CC2)=N1	REAL300013295460	1	46	0.0	-67.17	353.66	9.75	-57.42
O=C([O-])C1=CC2=C(N3CCC(C4=[NH+]C=C5CCCCN54)CC3)N=CNC2=N1	REAL300013295461	1	49	0.0	-93.12	379.45	11.53	-81.59
O=C([O-])C1=CC=C[NH+]=C1N1CCC(NC2=CC=CC(Br)=C2)CC1	REAL300013295463	0	41	0.0	-52.53	344.61	9.48	-43.05
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(N2CCCS2(=O)=O)C1	REAL300013295467	0	41	0.0	-69.82	330.76	5.10	-64.72
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=CC3=CC=CC=C3S2)CC1	REAL300013295473	0	43	0.0	-51.25	358.78	9.98	-41.27
C[N@@H+]1CCCC(C)(C)C1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013295512	0	43	0.0	-64.14	323.74	8.64	-55.50
C[N@H+]1CCCC(C)(C)C1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013295512	1	43	0.0	-64.05	323.10	8.80	-55.25
C[N@@H+]1CCCC(C)(C)C1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013295513	0	46	0.0	-93.04	336.92	8.97	-84.07
C[N@H+]1CCCC(C)(C)C1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013295513	1	46	0.0	-92.25	335.75	9.22	-83.03
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(NC2=CC=CC(Br)=C2)C1	REAL300013295521	0	41	0.0	-50.42	344.55	9.46	-40.96
CC(NC1=NC=C(C(=O)[O-])C=C1Cl)C(C1=CC=CC=C1)[NH+](C)C	REAL300013295524	0	43	0.0	-65.96	343.26	10.22	-55.74
CC(NC1=C2C=C(C(=O)[O-])N=C2NC=N1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013295525	0	46	0.0	-106.27	356.46	10.55	-95.72
CCC1(C2=CC=C(Cl)C=C2)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013295547	0	45	0.0	-51.42	349.84	11.62	-39.80
CC1=NC(S(=O)(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=CS1	REAL300013295553	0	40	0.0	-54.96	351.83	4.20	-50.76
O=C([O-])C1=CC=CC(NCC2([NH+]3CCN(C4=CC=CC=C4)CC3)CCOCC2)=N1	REAL300013295558	0	57	0.0	-76.37	404.93	8.65	-67.72
O=C([O-])C1=CC=CN=C1NCC1([NH+]2CCN(C3=CC=CC=C3)CC2)CCOCC1	REAL300013295559	0	57	0.0	-46.40	403.75	8.61	-37.79
O=C([O-])C1=CC=CC(NCC2([NH+]3CCN(C4=CC=CC=C4)CC3)CCOCC2)=N1	REAL300013295560	0	57	0.0	-76.37	404.93	8.65	-67.72
O=C([O-])C1=CC=CC(NCC2([NH+]3CCN(C4=CC=CC=C4)CC3)CCOCC2)=N1	REAL300013295561	0	57	0.0	-76.37	404.93	8.65	-67.72
CC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013295566	0	47	0.0	-78.35	356.53	10.77	-67.58
CC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013295566	1	47	0.0	-76.52	356.57	10.37	-66.15
CC1CN(C2=NC=CC=C2C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300013295567	0	47	0.0	-51.00	357.14	11.48	-39.52
CC1CN(C2=NC=CC=C2C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013295567	1	47	0.0	-51.64	357.63	11.04	-40.60
CC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013295568	0	47	0.0	-65.92	373.87	11.02	-54.90
CC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013295568	1	47	0.0	-67.48	366.34	10.78	-56.70
CC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013295569	0	47	0.0	-78.35	356.53	10.77	-67.58
CC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013295569	1	47	0.0	-76.52	356.57	10.37	-66.15
CC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013295570	0	47	0.0	-78.35	356.53	10.77	-67.58
CC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013295570	1	47	0.0	-76.52	356.57	10.37	-66.15
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013295571	0	50	0.0	-100.73	382.61	12.50	-88.23
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013295571	1	50	0.0	-100.82	382.56	12.50	-88.32
O=C([O-])C1=CC=C[NH+]=C1N1CCCC2(CCS(=O)(=O)C2)C1	REAL300013295573	0	39	0.0	-55.15	304.23	5.52	-49.63
C[NH+]1C2CCC1CC(NC1=C3C=C(C(=O)[O-])N=C3NC=N1)C2	REAL300013295584	0	41	0.0	-101.65	304.76	9.29	-92.36
COC(=O)C1=NNC2=C1CN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013295586	0	36	0.0	-40.59	291.08	5.18	-35.41
CCC(C)[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013295651	0	43	0.0	-96.31	325.69	9.14	-87.17
O=C([O-])C1=CC=CC(N2CCC(CC[NH+]3CCOCC3)CC2)=N1	REAL300013295652	0	48	0.0	-79.14	358.66	7.76	-71.38
O=C([O-])C1=CC=CN=C1N1CCC(CC[NH+]2CCOCC2)CC1	REAL300013295653	1	48	0.0	-71.37	359.45	8.58	-62.79
O=C([O-])C1=CN=C(N2CCC(CC[NH+]3CCOCC3)CC2)C(Cl)=C1	REAL300013295654	0	48	0.0	-70.67	377.60	8.28	-62.39
O=C([O-])C1=CC=CC(N2CCC(CC[NH+]3CCOCC3)CC2)=N1	REAL300013295655	0	48	0.0	-79.14	358.66	7.76	-71.38
O=C([O-])C1=CC=CC(N2CCC(CC[NH+]3CCOCC3)CC2)=N1	REAL300013295656	0	48	0.0	-79.14	358.66	7.76	-71.38
O=C([O-])C1=CC2=C(N3CCC(CC[NH+]4CCOCC4)CC3)N=CNC2=N1	REAL300013295657	0	51	0.0	-103.07	384.08	9.52	-93.55
O=C([O-])C1=CC=C[NH+]=C1N1CC(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300013295669	0	36	0.0	-49.03	302.99	8.86	-40.17
CC(C)(C)CC(C)(C)[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013295683	0	52	0.0	-63.95	347.00	9.17	-54.78
CC(C)(C)CC(C)(C)[NH+]1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013295684	0	52	0.0	-46.92	346.27	10.14	-36.78
CC(C)(C)CC(C)(C)[NH+]1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013295685	0	52	0.0	-56.11	365.74	9.83	-46.28
CC(C)(C)CC(C)(C)[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013295686	0	52	0.0	-63.95	347.00	9.17	-54.78
CC(C)(C)CC(C)(C)[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013295687	0	52	0.0	-63.95	347.00	9.17	-54.78
CC(C)(C)CC(C)(C)[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013295688	0	55	0.0	-91.95	372.33	11.00	-80.95
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=CC(F)=CC(F)=C2)CC1	REAL300013295690	0	42	0.0	-49.98	341.62	11.36	-38.62
CCNC(=O)N[C@@H]1CN(C2=[NH+]C=CC=C2C(=O)[O-])C[C@H]1OC	REAL300013295722	0	42	0.0	-48.31	340.07	3.13	-45.18
CC1=C(C)OC(C[NH+]2CCC(CNC3=CC=CC(C(=O)[O-])=N3)CC2)=N1	REAL300013295744	1	49	0.0	-78.74	386.84	7.07	-71.67
CC1=C(C)OC(C[NH+]2CCC(CNC3=NC=CC=C3C(=O)[O-])CC2)=N1	REAL300013295745	1	49	0.0	-60.62	382.87	7.61	-53.01
CC1=C(C)OC(C[NH+]2CCC(CNC3=NC=C(C(=O)[O-])C=C3Cl)CC2)=N1	REAL300013295746	1	49	0.0	-72.95	402.34	7.93	-65.02
CC1=C(C)OC(C[NH+]2CCC(CNC3=CC=CC(C(=O)[O-])=N3)CC2)=N1	REAL300013295747	1	49	0.0	-78.74	386.84	7.07	-71.67
CC1=C(C)OC(C[NH+]2CCC(CNC3=CC=CC(C(=O)[O-])=N3)CC2)=N1	REAL300013295748	1	49	0.0	-78.74	386.84	7.07	-71.67
CC1=C(C)OC(C[NH+]2CCC(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)=N1	REAL300013295749	1	52	0.0	-105.95	414.07	8.22	-97.73
O=C([O-])C1=CC=CC(N2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)=N1	REAL300013295766	0	58	0.0	-73.81	404.04	11.64	-62.17
O=C([O-])C1=CC=CN=C1N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1	REAL300013295767	0	58	0.0	-57.08	404.43	12.51	-44.57
O=C([O-])C1=CC=CC(N2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)=N1	REAL300013295768	0	58	0.0	-73.81	404.04	11.64	-62.17
O=C([O-])C1=CC=CC(N2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)=N1	REAL300013295769	0	58	0.0	-73.81	404.04	11.64	-62.17
C[NH+](C)CCOC1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013295770	0	44	0.0	-64.70	358.72	7.73	-56.97
C[NH+](C)CCOC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013295771	0	47	0.0	-100.90	365.32	8.96	-91.94
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2C[NH+]2CCCCCC2)=N1	REAL300013295797	0	50	0.0	-62.36	370.20	11.43	-50.93
O=C([O-])C1=CC=CN=C1NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300013295798	0	50	0.0	-45.55	369.82	11.87	-33.68
O=C([O-])C1=CN=C(NCC2=CC=CC=C2C[NH+]2CCCCCC2)C(Cl)=C1	REAL300013295799	0	50	0.0	-57.31	385.54	12.21	-45.10
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2C[NH+]2CCCCCC2)=N1	REAL300013295800	0	50	0.0	-62.36	370.20	11.43	-50.93
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2C[NH+]2CCCCCC2)=N1	REAL300013295801	0	50	0.0	-62.36	370.20	11.43	-50.93
O=C([O-])C1=CC2=C(NCC3=CC=CC=C3C[NH+]3CCCCCC3)N=CNC2=N1	REAL300013295802	0	53	0.0	-88.62	398.84	12.57	-76.05
CC(C)(C)C(=O)NCC1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013295804	0	48	0.0	-52.34	368.96	8.09	-44.25
CS(=O)(=O)N(CC(F)(F)F)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013295816	0	43	0.0	-53.15	348.22	5.67	-47.48
CCC1CCCC[N@@H+]1CCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013295838	0	43	0.0	-63.68	338.78	8.86	-54.82
CCC1CCCC[N@H+]1CCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013295838	1	43	0.0	-63.73	339.21	8.86	-54.87
CCC1CCCC[N@@H+]1CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013295839	0	46	0.0	-100.49	351.96	9.19	-91.30
CCC1CCCC[N@H+]1CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013295839	1	46	0.0	-100.49	352.40	9.22	-91.27
CC([NH2+]C1(CNC2=CC=CC(C(=O)[O-])=N2)CCOCC1)C1=CC=CC=C1	REAL300013295865	0	51	0.0	-68.34	371.52	7.72	-60.62
CC([NH2+]C1(CNC2=NC=CC=C2C(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300013295866	0	51	0.0	-50.83	367.86	8.76	-42.07
CC([NH2+]C1(CNC2=NC=C(C(=O)[O-])C=C2Cl)CCOCC1)C1=CC=CC=C1	REAL300013295867	0	51	0.0	-72.08	387.10	9.05	-63.03
CC([NH2+]C1(CNC2=CC=CC(C(=O)[O-])=N2)CCOCC1)C1=CC=CC=C1	REAL300013295868	0	51	0.0	-68.34	371.52	7.72	-60.62
CC([NH2+]C1(CNC2=CC=CC(C(=O)[O-])=N2)CCOCC1)C1=CC=CC=C1	REAL300013295869	0	51	0.0	-68.34	371.52	7.72	-60.62
CC([NH2+]C1(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCOCC1)C1=CC=CC=C1	REAL300013295870	0	54	0.0	-98.08	403.51	9.83	-88.25
CC1CCCC[N@@H+]1CC1CCCN(C2=CC=CC(C(=O)[O-])=N2)C1	REAL300013295873	0	50	0.0	-57.40	355.70	9.73	-47.67
CC1CCCC[N@H+]1CC1CCCN(C2=CC=CC(C(=O)[O-])=N2)C1	REAL300013295873	1	50	0.0	-65.61	355.67	9.72	-55.89
CC1CCCC[N@@H+]1CC1CCCN(C2=NC=CC=C2C(=O)[O-])C1	REAL300013295874	0	50	0.0	-59.04	363.17	10.86	-48.18
CC1CCCC[N@H+]1CC1CCCN(C2=NC=CC=C2C(=O)[O-])C1	REAL300013295874	1	50	0.0	-62.74	355.31	10.56	-52.18
CC1CCCC[N@@H+]1CC1CCCN(C2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013295875	0	50	0.0	-59.49	380.71	10.72	-48.77
CC1CCCC[N@H+]1CC1CCCN(C2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013295875	1	50	0.0	-62.99	374.61	10.24	-52.75
CC1CCCC[N@@H+]1CC1CCCN(C2=CC=CC(C(=O)[O-])=N2)C1	REAL300013295876	0	50	0.0	-57.40	355.70	9.73	-47.67
CC1CCCC[N@H+]1CC1CCCN(C2=CC=CC(C(=O)[O-])=N2)C1	REAL300013295876	1	50	0.0	-65.61	355.67	9.72	-55.89
CC1CCCC[N@@H+]1CC1CCCN(C2=CC=CC(C(=O)[O-])=N2)C1	REAL300013295877	0	50	0.0	-57.40	355.70	9.73	-47.67
CC1CCCC[N@H+]1CC1CCCN(C2=CC=CC(C(=O)[O-])=N2)C1	REAL300013295877	1	50	0.0	-65.61	355.67	9.72	-55.89
CC1CCCC[N@@H+]1CC1CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013295878	0	53	0.0	-103.43	387.91	11.83	-91.60
CC1CCCC[N@H+]1CC1CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013295878	1	53	0.0	-91.12	381.11	11.51	-79.61
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)NC2=CC=C(F)C(Cl)=C2)CC1	REAL300013295894	0	43	0.0	-61.57	366.72	9.45	-52.12
C[NH+](C)C1(CNC2=NC=C(C(=O)[O-])C=C2Cl)CCOCC1	REAL300013295903	0	41	0.0	-65.39	313.06	6.20	-59.19
C[NH+](C)C1(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCOCC1	REAL300013295904	0	44	0.0	-97.65	323.02	7.05	-90.60
C[NH+]1CCC(C2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)C2)CC1	REAL300013295905	0	44	0.0	-68.00	340.57	8.97	-59.03
C[NH+]1CCC(C2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)CC1	REAL300013295906	0	47	0.0	-106.61	357.59	10.34	-96.27
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=C(F)C=C2Cl)CC1	REAL300013295951	0	38	0.0	-47.15	318.79	8.57	-38.58
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)NC2=CC=CC=C2O)CC1	REAL300013295980	0	44	0.0	-62.44	353.31	6.17	-56.27
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CC(C)[NH+]1CCN(C2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013296065	1	52	0.0	-74.68	374.92	7.39	-67.29
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CC(C)(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C[NH+]1CCCC1	REAL300013296118	0	46	0.0	-102.22	345.11	9.36	-92.86
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CCCN(CCC)S(=O)(=O)N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013296154	0	51	0.0	-47.30	404.03	7.10	-40.20
CC[N@H+](CCNC1=CC=CC(C(=O)[O-])=N1)CCC(F)(F)F	REAL300013296164	0	39	0.0	-85.72	318.08	7.23	-78.49
CC[N@@H+](CCNC1=CC=CC(C(=O)[O-])=N1)CCC(F)(F)F	REAL300013296164	1	39	0.0	-84.80	322.56	7.50	-77.30
CC[N@H+](CCNC1=NC=CC=C1C(=O)[O-])CCC(F)(F)F	REAL300013296165	0	39	0.0	-59.07	318.27	8.05	-51.02
CC[N@@H+](CCNC1=NC=CC=C1C(=O)[O-])CCC(F)(F)F	REAL300013296165	1	39	0.0	-61.13	313.83	7.81	-53.32
CC[N@H+](CCNC1=NC=C(C(=O)[O-])C=C1Cl)CCC(F)(F)F	REAL300013296166	0	39	0.0	-72.71	338.07	8.35	-64.36
CC[N@@H+](CCNC1=NC=C(C(=O)[O-])C=C1Cl)CCC(F)(F)F	REAL300013296166	1	39	0.0	-72.91	333.57	8.08	-64.83
CC[N@H+](CCNC1=CC=CC(C(=O)[O-])=N1)CCC(F)(F)F	REAL300013296167	0	39	0.0	-85.72	318.08	7.23	-78.49
CC[N@@H+](CCNC1=CC=CC(C(=O)[O-])=N1)CCC(F)(F)F	REAL300013296167	1	39	0.0	-84.80	322.56	7.50	-77.30
CC[N@H+](CCNC1=CC=CC(C(=O)[O-])=N1)CCC(F)(F)F	REAL300013296168	0	39	0.0	-85.72	318.08	7.23	-78.49
CC[N@@H+](CCNC1=CC=CC(C(=O)[O-])=N1)CCC(F)(F)F	REAL300013296168	1	39	0.0	-84.80	322.56	7.50	-77.30
CC[N@H+](CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1)CCC(F)(F)F	REAL300013296169	0	42	0.0	-109.92	351.25	8.70	-101.22
CC[N@@H+](CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1)CCC(F)(F)F	REAL300013296169	1	42	0.0	-109.56	351.23	8.72	-100.84
CN(CC1=CC=C(Br)C(F)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013296181	0	32	0.0	-50.46	292.51	9.36	-41.10
CN(CC1=CC(Br)=CC=C1Cl)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013296187	0	32	0.0	-47.90	297.93	9.63	-38.27
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O=C([O-])C1=CC=CC(NC2CC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)=N1	REAL300013296568	1	44	0.0	-87.15	368.29	10.10	-77.05
CC(C1=CC=CN=C1)[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013296587	1	43	0.0	-76.19	334.37	7.92	-68.27
CC(C1=CC=CN=C1)[NH+]1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013296588	1	43	0.0	-54.13	335.44	8.79	-45.34
CC(C1=CC=CN=C1)[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013296590	1	43	0.0	-76.19	334.37	7.92	-68.27
CC(C1=CC=CN=C1)[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013296591	1	43	0.0	-76.19	334.37	7.92	-68.27
CC(C1=CC=CN=C1)[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013296592	1	46	0.0	-99.44	360.07	9.74	-89.70
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CC1CCC([NH+]2CCN(C3=NC=CC=C3C(=O)[O-])CC2)CC1	REAL300013296605	0	47	0.0	-54.15	341.18	9.80	-44.35
CC1CCC([NH+]2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)CC1	REAL300013296606	0	47	0.0	-62.28	359.32	9.50	-52.78
CC1CCC([NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013296607	0	47	0.0	-68.39	340.77	8.93	-59.46
CC1CCC([NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013296608	0	47	0.0	-68.39	340.77	8.93	-59.46
CC1CCC([NH+]2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)CC1	REAL300013296609	0	50	0.0	-98.70	366.29	10.75	-87.95
CCC(C[NH+]1CCCC1)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013296617	0	43	0.0	-99.58	333.32	9.18	-90.40
CC(C1=CC=CC=C1)[NH+]1CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013296618	0	47	0.0	-80.38	360.34	10.40	-69.98
CC(C1=CC=CC=C1)[NH+]1CCC(NC2=NC=CC=C2C(=O)[O-])CC1	REAL300013296619	0	47	0.0	-60.24	357.94	11.05	-49.19
CC(C1=CC=CC=C1)[NH+]1CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013296620	0	47	0.0	-66.46	377.25	11.38	-55.08
CC(C1=CC=CC=C1)[NH+]1CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013296621	0	47	0.0	-80.38	360.34	10.40	-69.98
CC(C1=CC=CC=C1)[NH+]1CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013296622	0	47	0.0	-80.38	360.34	10.40	-69.98
CC(C1=CC=CC=C1)[NH+]1CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013296623	0	50	0.0	-104.97	390.48	11.73	-93.24
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CC1=CC=C(OC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013296670	0	43	0.0	-54.77	338.17	10.11	-44.66
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=NN=CN2C2CC2)CC1	REAL300013296689	0	42	0.0	-67.42	335.17	10.80	-56.62
COC1=CC=C(CC(C)CN(C)C2=[NH+]C=CC=C2C(=O)[O-])C=C1	REAL300013296701	0	45	0.0	-51.22	351.27	10.24	-40.98
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CC(C)NC(=O)C[N@H+](C)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013296729	0	50	0.0	-77.96	379.13	6.77	-71.19
CC(C)NC(=O)C[N@@H+](C)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013296729	1	50	0.0	-74.84	379.14	6.77	-68.07
CC(C)NC(=O)C[N@H+](C)C1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013296730	1	50	0.0	-64.86	379.89	7.60	-57.26
CC(C)NC(=O)C[N@@H+](C)C1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013296730	1	50	0.0	-65.30	379.88	7.60	-57.70
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CC(C)NC(=O)C[N@@H+](C)C1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013296731	1	50	0.0	-68.85	398.01	7.30	-61.55
CC(C)NC(=O)C[N@H+](C)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013296732	0	50	0.0	-77.96	379.13	6.77	-71.19
CC(C)NC(=O)C[N@@H+](C)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013296732	1	50	0.0	-74.84	379.14	6.77	-68.07
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C[N@@H+]1CCC(CNC2=CC=CC(C(=O)[O-])=N2)C1C1=CC=C(Cl)C(F)=C1	REAL300013296763	0	44	0.0	-84.43	366.40	10.01	-74.42
C[N@H+]1CCC(CNC2=CC=CC(C(=O)[O-])=N2)C1C1=CC=C(Cl)C(F)=C1	REAL300013296763	1	44	0.0	-87.87	364.46	9.67	-78.20
C[N@@H+]1CCC(CNC2=NC=CC=C2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013296764	0	44	0.0	-67.45	348.92	9.64	-57.81
C[N@H+]1CCC(CNC2=NC=CC=C2C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013296764	1	44	0.0	-64.79	361.57	10.61	-54.18
C[N@@H+]1CCC(CNC2=NC=C(C(=O)[O-])C=C2Cl)C1C1=CC=C(Cl)C(F)=C1	REAL300013296765	0	44	0.0	-80.10	368.24	9.97	-70.13
C[N@H+]1CCC(CNC2=NC=C(C(=O)[O-])C=C2Cl)C1C1=CC=C(Cl)C(F)=C1	REAL300013296765	1	44	0.0	-82.36	368.28	9.96	-72.40
C[N@@H+]1CCC(CNC2=CC=CC(C(=O)[O-])=N2)C1C1=CC=C(Cl)C(F)=C1	REAL300013296766	0	44	0.0	-84.43	366.40	10.01	-74.42
C[N@H+]1CCC(CNC2=CC=CC(C(=O)[O-])=N2)C1C1=CC=C(Cl)C(F)=C1	REAL300013296766	1	44	0.0	-87.87	364.46	9.67	-78.20
C[N@@H+]1CCC(CNC2=CC=CC(C(=O)[O-])=N2)C1C1=CC=C(Cl)C(F)=C1	REAL300013296767	0	44	0.0	-84.43	366.40	10.01	-74.42
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CC1CN(C2=CC=CC(C(=O)[O-])=N2)CCC1[NH+]1CCN(C)CC1	REAL300013296823	0	49	0.0	-73.19	353.02	7.00	-66.19
CC1CN(C2=NC=CC=C2C(=O)[O-])CCC1[NH+]1CCN(C)CC1	REAL300013296824	0	49	0.0	-58.26	351.37	7.77	-50.49
CC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CCC1[NH+]1CCN(C)CC1	REAL300013296825	0	49	0.0	-63.74	372.77	6.96	-56.78
CC1CN(C2=CC=CC(C(=O)[O-])=N2)CCC1[NH+]1CCN(C)CC1	REAL300013296826	0	49	0.0	-73.19	353.02	7.00	-66.19
CC1CN(C2=CC=CC(C(=O)[O-])=N2)CCC1[NH+]1CCN(C)CC1	REAL300013296827	0	49	0.0	-73.19	353.02	7.00	-66.19
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CCC1[NH+]1CCN(C)CC1	REAL300013296828	0	52	0.0	-100.09	378.36	8.65	-91.44
CN1C(=O)NC2(CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C1=O	REAL300013296836	0	38	0.0	-55.94	307.18	4.74	-51.20
CCCC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CCOC	REAL300013296895	0	47	0.0	-71.28	354.24	7.24	-64.04
CCCC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CCOC	REAL300013296895	1	47	0.0	-75.17	350.45	6.90	-68.27
CCCC1CN(C2=NC=CC=C2C(=O)[O-])CC[N@@H+]1CCOC	REAL300013296896	0	47	0.0	-51.09	353.29	8.04	-43.05
CCCC1CN(C2=NC=CC=C2C(=O)[O-])CC[N@H+]1CCOC	REAL300013296896	1	47	0.0	-52.91	347.78	8.24	-44.67
CCCC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@@H+]1CCOC	REAL300013296897	1	47	0.0	-62.42	366.63	8.08	-54.34
CCCC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@H+]1CCOC	REAL300013296897	1	47	0.0	-61.77	367.87	8.01	-53.76
CCCC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CCOC	REAL300013296898	0	47	0.0	-71.28	354.24	7.24	-64.04
CCCC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CCOC	REAL300013296898	1	47	0.0	-75.17	350.45	6.90	-68.27
CCCC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CCOC	REAL300013296899	0	47	0.0	-71.28	354.24	7.24	-64.04
CCCC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CCOC	REAL300013296899	1	47	0.0	-75.17	350.45	6.90	-68.27
CCCC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+]1CCOC	REAL300013296900	0	50	0.0	-98.26	379.51	9.02	-89.24
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COCC[N@@H+](C)CCCC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013296901	1	53	0.0	-79.82	397.65	8.93	-70.89
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COCC[N@@H+](C)CCCC1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013296902	1	53	0.0	-71.52	398.39	9.76	-61.76
COCC[N@H+](C)CCCC1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013296903	0	53	0.0	-66.97	416.48	9.45	-57.52
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CCOC1CC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)([NH+]2CCOCC2)C1	REAL300013297036	1	52	0.0	-107.06	396.49	7.38	-99.68
CC1(C)CCC[N@H+](CCNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013297037	0	43	0.0	-65.43	338.66	8.87	-56.56
CC1(C)CCC[N@@H+](CCNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013297037	1	43	0.0	-65.40	338.64	8.87	-56.53
CC1(C)CCC[N@H+](CCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013297038	0	46	0.0	-101.63	351.83	9.21	-92.42
CC1(C)CCC[N@@H+](CCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013297038	1	46	0.0	-101.70	351.82	9.21	-92.49
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O=C([O-])C1=CC=CC(NCC2CCC[N@H+]2C2CCCCC2)=N1	REAL300013297174	1	47	0.0	-70.61	339.73	9.60	-61.01
O=C([O-])C1=CC2=C(NCC3CCC[N@@H+]3C3CCCCC3)N=CNC2=N1	REAL300013297175	0	50	0.0	-94.07	368.26	10.28	-83.79
O=C([O-])C1=CC2=C(NCC3CCC[N@H+]3C3CCCCC3)N=CNC2=N1	REAL300013297175	1	50	0.0	-99.00	364.10	10.81	-88.19
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CNC(=O)C(F)(F)F)CC1	REAL300013297184	0	39	0.0	-55.96	329.39	6.46	-49.50
O=C([O-])C1=CC=C[NH+]=C1N1CCC(F)(C2=CC=CC=C2C(F)(F)F)CC1	REAL300013297194	0	42	0.0	-44.32	335.60	11.02	-33.30
O=C([O-])C1=CC=C[NH+]=C1N1CCC(F)(C2=CC=CC=C2OC(F)(F)F)CC1	REAL300013297202	0	43	0.0	-48.70	351.75	10.59	-38.11
O=C([O-])C1=CC=C[NH+]=C1N1CCC(F)(C2=CC=C(Cl)C=C2)CC1	REAL300013297206	0	39	0.0	-45.72	327.96	10.93	-34.79
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(F)(F)F)C2(CCOCC2)C1	REAL300013297268	0	43	0.0	-52.62	316.16	8.09	-44.53
O=C([O-])C1=CC=CC(NCC2([NH+]3CCOCC3)CCOCC2)=N1	REAL300013297279	1	46	0.0	-71.08	330.16	4.73	-66.35
O=C([O-])C1=CC=CN=C1NCC1([NH+]2CCOCC2)CCOCC1	REAL300013297280	1	46	0.0	-44.73	326.19	5.28	-39.45
O=C([O-])C1=CC=CC(NCC2([NH+]3CCOCC3)CCOCC2)=N1	REAL300013297282	1	46	0.0	-71.08	330.16	4.73	-66.35
O=C([O-])C1=CC=CC(NCC2([NH+]3CCOCC3)CCOCC2)=N1	REAL300013297283	1	46	0.0	-71.08	330.16	4.73	-66.35
O=C([O-])C1=CC2=C(NCC3([NH+]4CCOCC4)CCOCC3)N=CNC2=N1	REAL300013297284	0	49	0.0	-96.27	358.83	5.92	-90.35
O=C([O-])C1=CC=CC(N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC(F)=C2)=N1	REAL300013297312	0	51	0.0	-86.42	411.10	12.79	-73.63
O=C([O-])C1=CC=CC(N[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC(F)=C2)=N1	REAL300013297312	1	51	0.0	-90.77	414.48	12.66	-78.11
O=C([O-])C1=CC=CC(N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC(F)=C2)=N1	REAL300013297313	0	51	0.0	-86.42	411.10	12.79	-73.63
O=C([O-])C1=CC=CC(N[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC(F)=C2)=N1	REAL300013297313	1	51	0.0	-90.77	414.48	12.66	-78.11
O=C([O-])C1=CC=CC(N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC(F)=C2)=N1	REAL300013297314	0	51	0.0	-86.42	411.10	12.79	-73.63
O=C([O-])C1=CC=CC(N[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC(F)=C2)=N1	REAL300013297314	1	51	0.0	-90.77	414.48	12.66	-78.11
CC1=CC(N(C)CC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013297337	1	36	0.0	-48.30	312.29	10.21	-38.09
CN(CC(=O)[O-])C1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1[N+](=O)[O-]	REAL300013297342	0	47	0.0	-82.83	392.05	5.67	-77.16
CC1=[NH+]C2=CC=C(Br)C=C2C(N(C)CC(=O)[O-])=C1C	REAL300013297363	0	34	0.0	-54.87	283.28	7.55	-47.32
CCOC(=O)C1=C(N(C)CC(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013297374	1	40	0.0	-55.54	322.15	6.77	-48.77
CCOC(=O)C1=C(N(C)CC(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013297375	1	43	0.0	-50.68	329.26	9.33	-41.35
CC(C)C1OCCCC1NC1=CC(N(C)CC(=O)[O-])=NC=[NH+]1	REAL300013297387	0	46	0.0	-44.77	349.76	9.02	-35.75
CC(C)C1OCCCC1NC1=CC(N(C)CC(=O)[O-])=[NH+]C=N1	REAL300013297387	1	46	0.0	-35.36	349.12	8.75	-26.61
CN(CC(=O)[O-])C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013297395	0	39	0.0	-61.56	323.11	8.88	-52.68
CN(CC(=O)[O-])C1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013297399	1	35	0.0	-41.03	300.88	8.92	-32.11
CCOC(=O)C1=C(C)C2=C(N(C)CC(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013297444	1	47	0.0	-62.17	387.77	9.61	-52.56
CN(CC(=O)[O-])C1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-]	REAL300013297447	0	44	0.0	-84.69	370.55	4.90	-79.79
CN(CC(=O)[O-])C1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1	REAL300013297487	1	45	0.0	-57.08	363.21	11.00	-46.08
CCOC1=CC2=[NH+]C=CC(N(C)CC(=O)[O-])=C2C=C1OCC	REAL300013297494	0	42	0.0	-57.35	334.84	7.06	-50.29
COC1=CC2=[NH+]C=CC(N(C)CC(=O)[O-])=C2C=C1Br	REAL300013297508	0	32	0.0	-59.82	282.48	5.96	-53.86
CC1=CC2=C(N(C)CC(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013297513	0	41	0.0	-49.87	312.99	8.95	-40.92
CN(CC(=O)[O-])C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013297539	0	32	0.0	-56.53	278.78	5.78	-50.75
CN(CC1=CC=C(Br)O1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013297557	0	29	0.0	-49.41	269.50	7.68	-41.73
CC(C)C(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCC(C)CC1	REAL300013297574	0	49	0.0	-69.36	353.73	9.90	-59.46
CC(C)C(CNC1=NC=CC=C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300013297575	0	49	0.0	-55.54	351.89	10.37	-45.17
CC(C)C(CNC1=NC=C(C(=O)[O-])C=C1Cl)[NH+]1CCC(C)CC1	REAL300013297576	0	49	0.0	-62.62	369.17	10.78	-51.84
CC(C)C(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCC(C)CC1	REAL300013297577	0	49	0.0	-69.36	353.73	9.90	-59.46
CC(C)C(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[NH+]1CCC(C)CC1	REAL300013297578	0	52	0.0	-93.65	379.31	11.15	-82.50
CCCNC(=O)C[NH+]1CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013297579	1	47	0.0	-87.67	367.18	6.17	-81.50
CCCNC(=O)C[NH+]1CCC(NC2=NC=CC=C2C(=O)[O-])CC1	REAL300013297580	1	47	0.0	-69.28	364.21	6.84	-62.44
CCCNC(=O)C[NH+]1CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013297581	1	47	0.0	-74.66	383.75	7.13	-67.53
CCCNC(=O)C[NH+]1CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013297582	1	47	0.0	-87.67	367.18	6.17	-81.50
CCCNC(=O)C[NH+]1CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013297583	1	47	0.0	-87.67	367.18	6.17	-81.50
CCCNC(=O)C[NH+]1CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013297584	1	50	0.0	-111.85	396.95	7.49	-104.36
CCOCCCNC(=O)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013297600	0	49	0.0	-61.76	386.80	6.80	-54.96
O=C([O-])C1=CC=CC(NCC2([NH+]3CCSCC3)CCCC2)=N1	REAL300013297605	0	45	0.0	-70.82	334.32	8.74	-62.08
O=C([O-])C1=CC=CN=C1NCC1([NH+]2CCSCC2)CCCC1	REAL300013297606	0	45	0.0	-46.60	334.03	9.26	-37.34
O=C([O-])C1=CN=C(NCC2([NH+]3CCSCC3)CCCC2)C(Cl)=C1	REAL300013297607	0	45	0.0	-63.32	349.87	9.61	-53.71
O=C([O-])C1=CC=CC(NCC2([NH+]3CCSCC3)CCCC2)=N1	REAL300013297608	0	45	0.0	-70.82	334.32	8.74	-62.08
O=C([O-])C1=CC=CC(NCC2([NH+]3CCSCC3)CCCC2)=N1	REAL300013297609	0	45	0.0	-70.82	334.32	8.74	-62.08
O=C([O-])C1=CC2=C(NCC3([NH+]4CCSCC4)CCCC3)N=CNC2=N1	REAL300013297610	0	48	0.0	-95.94	363.05	9.96	-85.98
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=CC=C(Cl)C=C2Cl)CC1	REAL300013297612	0	40	0.0	-48.19	354.22	9.61	-38.58
CC[NH+]1CCN(CC2=CC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013297621	0	52	0.0	-54.46	399.04	9.71	-44.75
CCN1CC[NH+](CC2=CC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013297621	1	52	0.0	-65.57	394.64	9.45	-56.12
CC[NH+]1CCN(CC2=CC=CC=C2CNC2=NC=CC=C2C(=O)[O-])CC1	REAL300013297622	0	52	0.0	-44.40	398.02	9.86	-34.54
CCN1CC[NH+](CC2=CC=CC=C2CNC2=NC=CC=C2C(=O)[O-])CC1	REAL300013297622	1	52	0.0	-47.93	394.32	9.93	-38.00
CC[NH+]1CCN(CC2=CC=CC=C2CNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013297623	0	52	0.0	-59.88	410.92	10.33	-49.55
CCN1CC[NH+](CC2=CC=CC=C2CNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013297623	1	52	0.0	-58.08	409.86	10.24	-47.84
CC[NH+]1CCN(CC2=CC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013297624	0	52	0.0	-54.46	399.04	9.71	-44.75
CCN1CC[NH+](CC2=CC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013297624	1	52	0.0	-65.57	394.64	9.45	-56.12
CC[NH+]1CCN(CC2=CC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013297625	0	52	0.0	-54.46	399.04	9.71	-44.75
CCN1CC[NH+](CC2=CC=CC=C2CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013297625	1	52	0.0	-65.57	394.64	9.45	-56.12
CC[NH+]1CCN(CC2=CC=CC=C2CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013297626	0	55	0.0	-73.80	424.75	10.90	-62.90
CCN1CC[NH+](CC2=CC=CC=C2CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013297626	1	55	0.0	-92.18	423.14	10.55	-81.63
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=CC=CC=C2OC(F)F)CC1	REAL300013297628	0	44	0.0	-52.70	361.37	8.35	-44.35
CC1CCCN(C(=O)C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C1	REAL300013297634	0	49	0.0	-63.23	366.81	9.58	-53.65
CC(C)N(C)C(=O)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013297646	0	45	0.0	-62.66	339.06	8.34	-54.32
NC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)O1	REAL300013297654	0	42	0.0	-55.35	364.46	1.46	-53.89
CC[NH+](CC)CCCNC(=O)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013297657	0	56	0.0	-87.67	418.58	7.90	-79.77
CC[NH+](CC)CCCNC(=O)C1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013297658	1	56	0.0	-80.28	423.84	8.98	-71.30
CC[NH+](CC)CCCNC(=O)C1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013297659	0	56	0.0	-73.09	441.50	8.83	-64.26
CC[NH+](CC)CCCNC(=O)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013297660	0	56	0.0	-87.67	418.58	7.90	-79.77
CC[NH+](CC)CCCNC(=O)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013297661	0	56	0.0	-87.67	418.58	7.90	-79.77
CCCCCNC(=O)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013297663	0	48	0.0	-61.27	374.23	8.33	-52.94
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=CC=C([N+](=O)[O-])S2)CC1	REAL300013297673	0	39	0.0	-52.28	341.55	8.40	-43.88
NS(=O)(=O)C1=CC=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013297704	0	43	0.0	-57.33	352.90	2.85	-54.48
CC[NH+]1CCN(C(C)CNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013297724	0	45	0.0	-65.36	351.46	6.65	-58.71
CC[NH+]1CCN(C(C)CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013297725	0	48	0.0	-93.62	364.31	7.03	-86.59
CCN1CC[NH+](C(C)CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013297725	1	48	0.0	-95.34	361.45	6.80	-88.54
CC[NH+](CC)CCOC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013297728	0	50	0.0	-76.97	388.80	9.51	-67.46
CC[NH+](CC)CCOC1=CC=C(CNC2=NC=CC=C2C(=O)[O-])C=C1	REAL300013297729	0	50	0.0	-66.85	388.60	10.34	-56.51
CC[NH+](CC)CCOC1=CC=C(CNC2=NC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300013297730	0	50	0.0	-69.25	408.12	10.66	-58.59
CC[NH+](CC)CCOC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013297731	0	50	0.0	-76.97	388.80	9.51	-67.46
CC[NH+](CC)CCOC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013297732	0	50	0.0	-76.97	388.80	9.51	-67.46
CC[NH+](CC)CCOC1=CC=C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C=C1	REAL300013297733	0	53	0.0	-96.56	417.48	10.71	-85.85
O=C([O-])C1=CC=CC(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)=N1	REAL300013297734	0	54	0.0	-87.85	413.36	7.98	-79.87
O=C([O-])C1=CC=CN=C1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	REAL300013297735	1	54	0.0	-80.97	414.10	8.80	-72.17
O=C([O-])C1=CN=C(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C(Cl)=C1	REAL300013297736	0	54	0.0	-72.77	432.24	8.51	-64.26
O=C([O-])C1=CC=CC(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)=N1	REAL300013297737	0	54	0.0	-87.85	413.36	7.98	-79.87
O=C([O-])C1=CC=CC(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)=N1	REAL300013297738	0	54	0.0	-87.85	413.36	7.98	-79.87
CC1CCCC[N@@H+]1CC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013297743	0	50	0.0	-76.17	378.99	10.69	-65.48
CC1CCCC[N@H+]1CC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013297743	1	50	0.0	-76.13	379.00	10.70	-65.43
CC1CCCC[N@@H+]1CC1=CC=C(CNC2=NC=CC=C2C(=O)[O-])C=C1	REAL300013297744	0	50	0.0	-64.11	375.07	11.23	-52.88
CC1CCCC[N@H+]1CC1=CC=C(CNC2=NC=CC=C2C(=O)[O-])C=C1	REAL300013297744	1	50	0.0	-64.10	375.07	11.23	-52.87
CC1CCCC[N@@H+]1CC1=CC=C(CNC2=NC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300013297745	0	50	0.0	-68.74	394.54	11.56	-57.18
CC1CCCC[N@H+]1CC1=CC=C(CNC2=NC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300013297745	1	50	0.0	-68.76	394.53	11.55	-57.21
CC1CCCC[N@@H+]1CC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013297746	0	50	0.0	-76.17	378.99	10.69	-65.48
CC1CCCC[N@H+]1CC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013297746	1	50	0.0	-76.13	379.00	10.70	-65.43
CC1CCCC[N@@H+]1CC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013297747	0	50	0.0	-76.17	378.99	10.69	-65.48
CC1CCCC[N@H+]1CC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013297747	1	50	0.0	-76.13	379.00	10.70	-65.43
CC1CCCC[N@@H+]1CC1=CC=C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C=C1	REAL300013297748	0	53	0.0	-97.85	407.72	11.89	-85.96
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CC1=CC2=C(NC(C)CC(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013298611	0	44	0.0	-46.77	329.40	9.10	-37.67
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC(C)CC(=O)[O-])=[NH+]1	REAL300013298630	0	42	0.0	-42.94	340.91	10.70	-32.24
CC1=CC(NC(C)CC(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013298632	1	42	0.0	-45.92	340.83	11.48	-34.44
CC(CC(=O)[O-])NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013298654	0	35	0.0	-45.93	299.59	6.39	-39.54
CC(NC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013298668	0	47	0.0	-74.86	393.53	4.76	-70.10
CC(NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013298699	0	39	0.0	-52.53	321.78	8.57	-43.96
CCOC(=O)C1=C(C)C2=C(NC(C)C(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013298732	1	47	0.0	-58.64	387.46	9.09	-49.55
CC(NC1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013298735	0	44	0.0	-74.91	372.03	3.98	-70.93
CC(NC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013298766	1	45	0.0	-53.33	368.19	10.33	-43.00
CCOC1=CC2=[NH+]C=CC(NC(C)C(=O)[O-])=C2C=C1OCC	REAL300013298771	0	42	0.0	-49.28	334.95	6.83	-42.45
COC1=CC2=[NH+]C=CC(NC(C)C(=O)[O-])=C2C=C1Br	REAL300013298781	0	32	0.0	-50.59	282.58	5.71	-44.88
CC(NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013298807	0	32	0.0	-47.92	279.21	5.52	-42.40
O=C([O-])C1CCCN1C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013298811	0	44	0.0	-39.05	336.22	4.60	-34.45
O=C([O-])C1CCCN1C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013298811	1	44	0.0	-52.91	335.00	5.05	-47.86
COC1=CC2=NC(N3CCCC3C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013298820	0	41	0.0	-33.03	319.99	4.58	-28.45
O=C([O-])C1CCCN1C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013298822	0	35	0.0	-57.35	298.98	8.18	-49.17
O=C([O-])C1CCCN1C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013298855	1	32	0.0	-55.66	281.70	7.78	-47.88
O=C([O-])C1CCCN1C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013298882	0	44	0.0	-38.84	334.56	3.78	-35.06
O=C([O-])C1CCCN1C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013298882	1	44	0.0	-53.72	336.62	4.71	-49.01
CN1CCN(C2=CC(N3CCCC3C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013298891	0	41	0.0	-42.16	318.73	4.78	-37.38
CN1CCN(C2=CC(N3CCCC3C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013298891	1	41	0.0	-61.28	320.22	5.73	-55.55
O=C([O-])C1CCCN1C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013298903	0	43	0.0	-60.89	347.64	9.84	-51.05
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCCC2C(=O)[O-])=N1	REAL300013298912	0	44	0.0	-51.44	349.59	7.18	-44.26
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCCC2C(=O)[O-])=N1	REAL300013298912	1	44	0.0	-45.99	351.92	7.00	-38.99
CC(C)NC1=NC(NCCO)=NC(N2CCCC2C(=O)[O-])=[NH+]1	REAL300013298912	1	44	0.0	-46.04	351.26	6.97	-39.07
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCCC2C(=O)[O-])=N1	REAL300013298916	0	46	0.0	-48.65	349.25	11.12	-37.53
CCNC1=NC(NC(C)(C)C)=NC(N2CCCC2C(=O)[O-])=[NH+]1	REAL300013298916	1	46	0.0	-43.43	353.10	11.22	-32.21
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCCC2C(=O)[O-])=N1	REAL300013298916	1	46	0.0	-41.74	350.93	10.91	-30.83
CC(O)C1CCN(C2=CC(N3CCCC3C(=O)[O-])=[NH+]C=N2)C1	REAL300013298927	0	44	0.0	-38.26	338.14	4.58	-33.68
CC(O)C1CCN(C2=CC(N3CCCC3C(=O)[O-])=NC=[NH+]2)C1	REAL300013298927	1	44	0.0	-51.80	336.07	4.87	-46.93
CC(C)OC1=CC2=C(N3CCCC3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013298930	0	42	0.0	-50.56	320.83	7.41	-43.15
CCOC(=O)C1=C(C)C2=C(N3CCCC3C(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013298960	1	51	0.0	-60.98	411.61	10.70	-50.28
C[NH+](C)CCNS(=O)(=O)C1=CC=C(N2CCCC2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300013298964	0	48	0.0	-73.41	395.64	5.95	-67.46
C[NH+](C)CC1=NC(N2CCCC2C(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013299012	1	49	0.0	-37.73	387.19	11.34	-26.39
O=C([O-])C1CCCN1C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013299013	1	32	0.0	-49.18	273.44	7.19	-41.99
CCOC1=CC2=[NH+]C=CC(N3CCCC3C(=O)[O-])=C2C=C1OCC	REAL300013299023	0	46	0.0	-48.74	355.01	7.72	-41.02
COC1=CC2=[NH+]C=CC(N3CCCC3C(=O)[O-])=C2C=C1Br	REAL300013299044	0	36	0.0	-55.44	307.37	7.02	-48.42
CC1(C)CCCN(C2=CC=[NH+]C(N3CCCC3C(=O)[O-])=N2)C1	REAL300013299050	0	46	0.0	-56.42	342.09	9.38	-47.04
COC1=CC2=[NH+]C=CC(N3CCCC3C(=O)[O-])=C2C=C1OC	REAL300013299055	0	40	0.0	-49.28	311.15	5.87	-43.41
O=C([O-])C1CCCN1C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013299066	0	41	0.0	-30.73	321.01	7.91	-22.82
CN(C1=CC=[NH+]C(N2CCCC2C(=O)[O-])=N1)C1CCCCC1	REAL300013299080	0	46	0.0	-26.64	337.32	9.31	-17.33
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCCC2C(=O)[O-])=[NH+]1	REAL300013299082	0	43	0.0	-52.53	344.17	10.67	-41.86
CN(C1=[NH+]C=CC(N2CCCC2C(=O)[O-])=N1)C1CCCCC1	REAL300013299083	0	46	0.0	-58.12	342.65	10.63	-47.49
O=C([O-])C1CCCN1C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013299102	0	36	0.0	-57.17	306.29	6.98	-50.19
CC(C)(CCC(=O)[O-])NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013299114	0	49	0.0	-56.72	359.90	5.28	-51.44
CC(C)(CCC(=O)[O-])NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013299114	1	49	0.0	-60.39	355.76	5.06	-55.33
CC(C)(CCC(=O)[O-])NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12	REAL300013299129	0	40	0.0	-59.74	318.02	8.11	-51.63
CC(C)(C)C1=[NH+]C(C(C)(C)C)=NC(NC(C)(C)CCC(=O)[O-])=C1	REAL300013299135	1	54	0.0	-50.22	390.88	10.88	-39.34
CC(C)(CCC(=O)[O-])NC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013299167	1	37	0.0	-57.71	300.75	7.71	-50.00
COC1=CC=CC2=C(NC(C)(C)CCC(=O)[O-])C=C(C)[NH+]=C12	REAL300013299190	1	44	0.0	-50.24	329.12	7.10	-43.14
CC(C)(CCC(=O)[O-])NC1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013299202	0	49	0.0	-56.19	356.99	4.41	-51.78
CC(C)(CCC(=O)[O-])NC1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013299202	1	49	0.0	-58.08	356.61	5.01	-53.07
CN1CCN(C2=CC(NC(C)(C)CCC(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013299212	0	46	0.0	-62.74	344.87	5.98	-56.76
CN1CCN(C2=CC(NC(C)(C)CCC(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013299212	1	46	0.0	-58.94	337.81	5.18	-53.76
CC(C)(CCC(=O)[O-])NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013299227	0	48	0.0	-60.85	369.54	9.99	-50.86
CC(C)NC1=[NH+]C(NCCO)=NC(NC(C)(C)CCC(=O)[O-])=N1	REAL300013299236	0	49	0.0	-53.92	376.24	8.54	-45.38
CC(C)NC1=NC(NCCO)=[NH+]C(NC(C)(C)CCC(=O)[O-])=N1	REAL300013299236	1	49	0.0	-47.58	375.61	8.30	-39.28
CC(C)NC1=NC(NCCO)=NC(NC(C)(C)CCC(=O)[O-])=[NH+]1	REAL300013299236	1	49	0.0	-46.87	370.43	8.12	-38.75
CN(C1=CC=CC=C1)C1=CC(NC(C)(C)CCC(=O)[O-])=[NH+]C=N1	REAL300013299246	1	45	0.0	-56.22	344.94	9.73	-46.49
CC(O)C1CCN(C2=CC(NC(C)(C)CCC(=O)[O-])=[NH+]C=N2)C1	REAL300013299259	0	49	0.0	-55.69	357.32	5.61	-50.08
CC(O)C1CCN(C2=CC(NC(C)(C)CCC(=O)[O-])=NC=[NH+]2)C1	REAL300013299259	1	49	0.0	-58.31	356.19	4.86	-53.45
CCCC1=CC2=C(NC(C)(C)CCC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013299262	0	46	0.0	-56.86	343.84	9.31	-47.55
CC(C)OC1=CC2=C(NC(C)(C)CCC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013299264	0	47	0.0	-60.63	348.60	7.97	-52.66
CC1=CC(NC(C)(C)CCC(=O)[O-])=NC(C2=CC=CN=C2)=[NH+]1	REAL300013299331	1	42	0.0	-55.74	329.96	8.66	-47.08
C[NH+](C)CC1=NC(NC(C)(C)CCC(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013299347	1	54	0.0	-64.21	418.84	12.50	-51.71
CC(C)(CCC(=O)[O-])NC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013299348	1	37	0.0	-60.49	300.76	7.72	-52.77
CCOC1=CC2=[NH+]C=CC(NC(C)(C)CCC(=O)[O-])=C2C=C1OCC	REAL300013299360	0	51	0.0	-60.08	381.51	8.20	-51.88
COC1=CC2=[NH+]C=CC(NC(C)(C)CCC(=O)[O-])=C2C=C1Br	REAL300013299386	0	41	0.0	-61.62	329.15	7.08	-54.54
CC(C)(CCC(=O)[O-])NC1=NC(N2CCCC(C)(C)C2)=CC=[NH+]1	REAL300013299391	0	51	0.0	-56.14	364.99	10.86	-45.28
COC1=CC2=[NH+]C=CC(NC(C)(C)CCC(=O)[O-])=C2C=C1OC	REAL300013299398	0	45	0.0	-60.30	337.89	6.35	-53.95
CC(C)(CCC(=O)[O-])NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013299414	0	46	0.0	-56.93	350.54	10.41	-46.52
CC1=[NH+]C(NC2=CC=CC=C2)=CC(NC(C)(C)CCC(=O)[O-])=N1	REAL300013299432	0	45	0.0	-53.06	348.94	10.31	-42.75
CC1=NC(NC2=CC=CC=C2)=CC(NC(C)(C)CCC(=O)[O-])=[NH+]1	REAL300013299432	1	45	0.0	-50.81	346.00	10.45	-40.36
CC1=[NH+]C=CC(NC(C)(C)CCC(=O)[O-])=C1Br	REAL300013299434	0	34	0.0	-60.25	273.36	6.08	-54.17
CN(C1=CC=[NH+]C(NC(C)(C)CCC(=O)[O-])=N1)C1CCCCC1	REAL300013299436	0	51	0.0	-54.93	367.53	12.11	-42.82
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC(C)(C)CCC(=O)[O-])=[NH+]1	REAL300013299439	0	48	0.0	-52.66	367.74	11.62	-41.04
CN(C1=[NH+]C=CC(NC(C)(C)CCC(=O)[O-])=N1)C1CCCCC1	REAL300013299442	0	51	0.0	-57.15	367.84	12.44	-44.71
CC1=CC(NC(C)(C)CCC(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013299444	1	48	0.0	-55.80	366.45	11.86	-43.94
CC(C)(CCC(=O)[O-])NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013299466	0	41	0.0	-59.07	325.38	6.91	-52.16
CC1=C(Cl)C2=[NH+]C=CC(NC(C)(C)CCC(=O)[O-])=C2C=C1	REAL300013299471	1	40	0.0	-53.00	312.43	8.26	-44.74
COC1=CC2=NC(N(C)CCC(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013299486	0	40	0.0	-59.69	323.26	7.27	-52.42
CC1=CC(N(C)CCC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013299495	1	39	0.0	-52.61	333.31	10.62	-41.99
CN(CCC(=O)[O-])C1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1[N+](=O)[O-]	REAL300013299504	0	50	0.0	-75.77	413.88	6.24	-69.53
CN(CCC(=O)[O-])C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013299515	1	31	0.0	-54.33	276.10	7.15	-47.18
CC1=[NH+]C2=CC=C(Br)C=C2C(N(C)CCC(=O)[O-])=C1C	REAL300013299531	0	37	0.0	-55.75	304.76	8.05	-47.70
CCOC(=O)C1=C(N(C)CCC(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013299551	1	43	0.0	-61.08	348.41	7.10	-53.98
CCOC(=O)C1=C(N(C)CCC(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013299552	1	46	0.0	-54.71	356.65	9.73	-44.98
CC(C)C1OCCCC1NC1=CC(N(C)CCC(=O)[O-])=NC=[NH+]1	REAL300013299574	0	49	0.0	-48.52	370.79	9.44	-39.08
CC(C)C1OCCCC1NC1=CC(N(C)CCC(=O)[O-])=[NH+]C=N1	REAL300013299574	1	49	0.0	-42.02	370.14	9.16	-32.86
CN(CCC(=O)[O-])C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013299585	0	42	0.0	-58.42	344.93	9.45	-48.97
CN(CCC(=O)[O-])C1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013299590	1	38	0.0	-43.25	322.71	9.47	-33.78
CCOC(=O)C1=C(C)C2=C(N(C)CCC(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013299653	1	50	0.0	-62.22	409.92	10.17	-52.05
CN(CCC(=O)[O-])C1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-]	REAL300013299658	0	47	0.0	-77.05	392.38	5.46	-71.59
CN(CCC(=O)[O-])C1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1	REAL300013299713	1	48	0.0	-56.09	386.29	11.64	-44.45
CN(CCC(=O)[O-])C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013299714	1	31	0.0	-57.67	275.82	7.14	-50.53
CCOC1=CC2=[NH+]C=CC(N(C)CCC(=O)[O-])=C2C=C1OCC	REAL300013299724	0	45	0.0	-56.60	356.67	7.61	-48.99
COC1=CC2=[NH+]C=CC(N(C)CCC(=O)[O-])=C2C=C1Br	REAL300013299746	0	35	0.0	-58.17	304.30	6.53	-51.64
CC1=CC2=C(N(C)CCC(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013299752	0	44	0.0	-50.15	334.47	9.47	-40.68
CC1=CC(N(C)C2=CC=CC=C2)=NC(N(C)CCC(=O)[O-])=[NH+]1	REAL300013299771	0	42	0.0	-54.18	341.70	11.81	-42.37
CC1=CC(N(C)CCC(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013299773	1	42	0.0	-54.05	342.00	12.66	-41.39
CN(CCC(=O)[O-])C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013299795	0	35	0.0	-55.54	300.74	6.36	-49.18
CC[C@@H](NC1=NC2=CC(OC)=C(OC)C=C2C(N)=[NH+]1)C(=O)[O-]	REAL300013299805	0	40	0.0	-38.14	323.66	6.24	-31.90
CC[C@@H](NC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013299820	0	50	0.0	-75.92	413.58	5.77	-70.15
CC[C@@H](NC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013299830	1	31	0.0	-41.81	276.72	7.30	-34.51
CC[C@@H](NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013299870	0	42	0.0	-45.89	344.24	9.54	-36.35
CCOC(=O)C1=C(C)C2=C(N[C@H](CC)C(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013299915	1	50	0.0	-48.61	409.41	10.03	-38.58
CC[C@@H](NC1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013299920	0	47	0.0	-76.79	392.32	4.94	-71.85
CC[C@@H](NC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013299960	1	48	0.0	-55.54	387.99	11.19	-44.35
CC[C@@H](NC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013299961	1	31	0.0	-44.51	276.71	7.29	-37.22
CC[C@@H](NC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013299964	1	31	0.0	-38.25	274.07	7.37	-30.88
CCOC1=CC2=[NH+]C=CC(N[C@H](CC)C(=O)[O-])=C2C=C1OCC	REAL300013299969	0	45	0.0	-44.45	357.31	7.81	-36.64
CC[C@@H](NC1=CC=[NH+]C2=CC(OC)=C(Br)C=C12)C(=O)[O-]	REAL300013299987	0	35	0.0	-44.78	305.19	6.64	-38.14
CC[C@@H](NC1=[NH+]C(C)=CC(N(C)C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300013300008	0	42	0.0	-31.33	344.78	11.64	-19.69
CC[C@@H](NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013300024	0	35	0.0	-42.31	301.11	6.53	-35.78
CC1=[NH+]C2=CC=C(F)C=C2C(NC2CCC(C(=O)[O-])CC2)=C1	REAL300013300035	0	41	0.0	-57.92	322.63	8.76	-49.16
O=C([O-])C1CCC(NC2=CC(N3CCSCC3)=NC=[NH+]2)CC1	REAL300013300041	0	44	0.0	-59.55	337.60	9.23	-50.32
O=C([O-])C1CCC(NC2=CC(N3CCSCC3)=[NH+]C=N2)CC1	REAL300013300041	1	44	0.0	-63.92	336.51	8.79	-55.13
O=C([O-])C1CCC(NC2=CC(N3CCCCC3)=NC=[NH+]2)CC1	REAL300013300053	0	46	0.0	-56.32	338.23	9.34	-46.98
O=C([O-])C1CCC(NC2=CC(N3CCCCC3)=[NH+]C=N2)CC1	REAL300013300053	1	46	0.0	-60.67	335.79	9.19	-51.48
O=C([O-])C1CCC(NC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CC1	REAL300013300054	0	50	0.0	-64.75	374.22	6.33	-58.42
O=C([O-])C1CCC(NC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CC1	REAL300013300054	1	50	0.0	-64.26	373.30	6.20	-58.06
CCCC1=[NH+]C2=CC=CC=C2C(NC2CCC(C(=O)[O-])CC2)=C1	REAL300013300055	0	47	0.0	-55.70	355.95	10.56	-45.14
COC1=CC=C(NC2=CC(NC3CCC(C(=O)[O-])CC3)=[NH+]C=N2)C(OC)=C1	REAL300013300057	1	51	0.0	-60.19	391.46	9.71	-50.48
COC1=CC2=NC(NC3CCC(C(=O)[O-])CC3)=[NH+]C(N)=C2C=C1OC	REAL300013300079	0	47	0.0	-66.86	359.20	7.98	-58.88
O=C([O-])C1CCC(NC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)CC1	REAL300013300086	0	41	0.0	-64.11	329.40	9.42	-54.69
O=C([O-])C1CCC(NC2=CC=[NH+]C3=CC=C(Cl)C=C23)CC1	REAL300013300093	1	38	0.0	-65.39	307.21	8.93	-56.46
CC(C)(C)C1=CC(NC2CCC(C(=O)[O-])CC2)=NC(C(C)(C)C)=[NH+]1	REAL300013300095	1	55	0.0	-55.36	399.01	11.16	-44.20
O=C([O-])C1CCC(NC2=CC(N3CCOCC3)=NC=[NH+]2)CC1	REAL300013300102	0	44	0.0	-58.49	329.36	6.89	-51.60
O=C([O-])C1CCC(NC2=CC(N3CCOCC3)=[NH+]C=N2)CC1	REAL300013300102	1	44	0.0	-61.09	331.16	6.42	-54.67
CC1=CC(NC2CCC(C(=O)[O-])CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013300107	1	46	0.0	-65.68	373.40	11.00	-54.68
O=C([O-])C1CCC(NC2=CC=[NH+]C3=CC(Cl)=CC=C23)CC1	REAL300013300131	1	38	0.0	-61.75	307.21	8.92	-52.83
O=C([O-])C1CCC(NC2=CC=[NH+]C3=CC(Br)=CC=C23)CC1	REAL300013300140	1	38	0.0	-61.95	311.75	9.02	-52.93
CC1=[NH+]C2=CC=C(Br)C=C2C(NC2CCC(C(=O)[O-])CC2)=C1C	REAL300013300166	0	44	0.0	-61.83	352.59	9.63	-52.20
NC1=[NH+]C(NC2CCC(C(=O)[O-])CC2)=CC(N2C=CC=N2)=N1	REAL300013300192	0	40	0.0	-55.17	318.00	8.55	-46.62
O=C([O-])C1CCC(NC2=[NH+]C=CC(N3CCOCC3)=N2)CC1	REAL300013300195	0	44	0.0	-66.14	331.08	7.77	-58.37
COC1=CC=CC2=C(NC3CCC(C(=O)[O-])CC3)C=C(C)[NH+]=C12	REAL300013300200	1	45	0.0	-53.99	345.91	8.15	-45.84
CCOC(=O)C1=C(NC2CCC(C(=O)[O-])CC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013300201	1	50	0.0	-67.64	389.03	8.08	-59.56
CCOC(=O)C1=C(NC2CCC(C(=O)[O-])CC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013300202	1	53	0.0	-62.60	398.33	10.75	-51.85
CC(C)C1=[NH+]C(NC2CCC(C(=O)[O-])CC2)=NC(N(C)C)=N1	REAL300013300214	1	47	0.0	-54.09	354.54	12.88	-41.21
CC(C)C1=NC(NC2CCC(C(=O)[O-])CC2)=NC(N(C)C)=[NH+]1	REAL300013300214	1	47	0.0	-54.91	354.72	12.85	-42.06
O=C([O-])C1CCC(NC2=CC=[NH+]C(N3CCCCC3)=N2)CC1	REAL300013300220	0	46	0.0	-63.16	339.42	9.78	-53.38
CCC1=C(NC2CCC(C(=O)[O-])CC2)C2=CC=CC=C2[NH+]=C1C	REAL300013300230	0	47	0.0	-57.78	348.56	9.60	-48.18
O=C([O-])C1CCC(NC2=CC(N3CCCCC3CO)=NC=[NH+]2)CC1	REAL300013300236	0	50	0.0	-59.39	368.10	5.79	-53.60
O=C([O-])C1CCC(NC2=CC(N3CCCCC3CO)=[NH+]C=N2)CC1	REAL300013300236	1	50	0.0	-63.20	374.69	5.73	-57.47
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NC2CCC(C(=O)[O-])CC2)=C1	REAL300013300241	0	43	0.0	-65.27	344.27	9.36	-55.91
CN1CCN(C2=CC(NC3CCC(C(=O)[O-])CC3)=[NH+]C=N2)CC1=O	REAL300013300251	0	47	0.0	-72.30	359.23	7.04	-65.26
CN1CCN(C2=CC(NC3CCC(C(=O)[O-])CC3)=NC=[NH+]2)CC1=O	REAL300013300251	1	47	0.0	-61.18	353.75	6.26	-54.92
CC(C)C1OCCCC1NC1=CC(NC2CCC(C(=O)[O-])CC2)=[NH+]C=N1	REAL300013300261	0	56	0.0	-56.09	407.57	9.93	-46.16
CC(C)C1OCCCC1NC1=CC(NC2CCC(C(=O)[O-])CC2)=NC=[NH+]1	REAL300013300261	1	56	0.0	-59.72	412.26	9.84	-49.88
COC1=CC=CC2=C(NC3CCC(C(=O)[O-])CC3)C(C)=C[NH+]=C12	REAL300013300271	1	45	0.0	-57.77	332.68	8.05	-49.72
O=C([O-])C1CCC(NC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)CC1	REAL300013300281	0	49	0.0	-66.39	380.88	11.32	-55.07
O=C([O-])C1CCC(NC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)CC1	REAL300013300286	1	45	0.0	-50.97	358.65	11.35	-39.62
CCCCNC1=CC(NC2CCC(C(=O)[O-])CC2)=NC(N)=[NH+]1	REAL300013300293	0	47	0.0	-59.37	356.83	8.32	-51.05
CCCCNC1=CC(NC2CCC(C(=O)[O-])CC2)=[NH+]C(N)=N1	REAL300013300293	1	47	0.0	-56.04	361.25	8.02	-48.02
CC(C)NC1=[NH+]C(NCCO)=NC(NC2CCC(C(=O)[O-])CC2)=N1	REAL300013300304	0	50	0.0	-56.69	385.10	9.18	-47.51
CC(C)NC1=NC(NCCO)=[NH+]C(NC2CCC(C(=O)[O-])CC2)=N1	REAL300013300304	1	50	0.0	-50.90	389.43	8.88	-42.02
CC(C)NC1=NC(NCCO)=NC(NC2CCC(C(=O)[O-])CC2)=[NH+]1	REAL300013300304	1	50	0.0	-55.27	384.39	9.18	-46.09
CCNC1=[NH+]C(NC2CCC(C(=O)[O-])CC2)=NC(NC(C)(C)C)=N1	REAL300013300317	0	52	0.0	-54.60	386.18	13.40	-41.20
CCNC1=NC(NC2CCC(C(=O)[O-])CC2)=NC(NC(C)(C)C)=[NH+]1	REAL300013300317	1	52	0.0	-54.81	388.50	13.53	-41.28
CCNC1=NC(NC2CCC(C(=O)[O-])CC2)=[NH+]C(NC(C)(C)C)=N1	REAL300013300317	1	52	0.0	-49.94	392.23	13.20	-36.74
CN(C1=CC=CC=C1)C1=CC(NC2CCC(C(=O)[O-])CC2)=[NH+]C=N1	REAL300013300332	1	46	0.0	-54.30	357.97	12.02	-42.28
O=C([O-])C1CCC(NC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)CC1	REAL300013300355	1	38	0.0	-67.81	314.32	9.03	-58.78
CC(O)C1CCN(C2=CC(NC3CCC(C(=O)[O-])CC3)=[NH+]C=N2)C1	REAL300013300356	0	50	0.0	-58.50	367.26	6.97	-51.53
CC(O)C1CCN(C2=CC(NC3CCC(C(=O)[O-])CC3)=NC=[NH+]2)C1	REAL300013300356	1	50	0.0	-62.75	373.95	6.01	-56.74
O=C([O-])C1CCC(NC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CC1	REAL300013300358	1	41	0.0	-61.84	317.35	10.42	-51.42
CCCC1=CC2=C(NC3CCC(C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013300361	0	47	0.0	-61.49	354.85	10.62	-50.87
CC(C)OC1=CC2=C(NC3CCC(C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013300363	0	48	0.0	-66.08	359.61	9.27	-56.81
CC1=CC(NC2CCC(C(=O)[O-])CC2)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013300457	1	43	0.0	-57.37	340.20	8.53	-48.84
CCC1=CC(NC2CCC(C(=O)[O-])CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013300458	1	49	0.0	-64.56	394.84	11.74	-52.82
O=C([O-])C1CCC(NC2=CC=[NH+]C3=CC=C(Br)C=C23)CC1	REAL300013300479	1	38	0.0	-65.50	311.77	9.04	-56.46
O=C([O-])C1CCC(NC2=CC=[NH+]C3=C(Br)C=CC=C23)CC1	REAL300013300486	1	38	0.0	-56.73	309.13	9.12	-47.61
CCOC1=CC2=[NH+]C=CC(NC3CCC(C(=O)[O-])CC3)=C2C=C1OCC	REAL300013300496	0	52	0.0	-64.38	392.62	9.51	-54.87
CCC1=CC(NC2CCC(C(=O)[O-])CC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013300498	1	46	0.0	-62.69	357.34	9.57	-53.12
COC1=CC2=[NH+]C=CC(NC3CCC(C(=O)[O-])CC3)=C2C=C1Br	REAL300013300535	0	42	0.0	-66.91	340.25	8.39	-58.52
CC1(C)CCCN(C2=CC=[NH+]C(NC3CCC(C(=O)[O-])CC3)=N2)C1	REAL300013300543	0	52	0.0	-67.05	377.88	11.11	-55.94
CC1=CC2=C(NC3CCC(C(=O)[O-])CC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013300548	0	51	0.0	-55.36	368.63	10.99	-44.37
CC1=CC(C(F)(F)F)=CC(NC2CCC(C(=O)[O-])CC2)=[NH+]1	REAL300013300551	0	38	0.0	-55.89	308.59	8.67	-47.22
O=C([O-])C1CCC(NC2=CC(NC3=CC=CC=C3)=NC=[NH+]2)CC1	REAL300013300553	1	43	0.0	-55.91	332.30	10.06	-45.85
O=C([O-])C1CCC(NC2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CC1	REAL300013300553	1	43	0.0	-61.84	332.28	10.05	-51.79
COC1=CC2=[NH+]C=CC(NC3CCC(C(=O)[O-])CC3)=C2C=C1OC	REAL300013300556	0	46	0.0	-64.55	348.91	7.66	-56.89
O=C([O-])C1CCC(NC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CC1	REAL300013300584	0	47	0.0	-60.56	366.61	11.05	-49.51
CC1=CC=C2C(NC3CCC(C(=O)[O-])CC3)=CC(C)=[NH+]C2=C1Cl	REAL300013300610	0	44	0.0	-54.15	350.59	9.89	-44.26
CC1=[NH+]C(NC2=CC=CC=C2)=CC(NC2CCC(C(=O)[O-])CC2)=N1	REAL300013300612	0	46	0.0	-57.33	354.20	10.41	-46.92
CC1=NC(NC2=CC=CC=C2)=CC(NC2CCC(C(=O)[O-])CC2)=[NH+]1	REAL300013300612	1	46	0.0	-58.38	359.74	9.72	-48.66
CC1=[NH+]C=CC(NC2CCC(C(=O)[O-])CC2)=C1Br	REAL300013300615	0	35	0.0	-65.13	285.72	7.44	-57.69
CN(C1=CC=[NH+]C(NC2CCC(C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013300617	0	52	0.0	-61.28	376.94	12.63	-48.65
CC1=CC(N(C)C(C)C)=NC(NC2CCC(C(=O)[O-])CC2)=[NH+]1	REAL300013300618	0	48	0.0	-52.97	361.98	11.07	-41.90
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC2CCC(C(=O)[O-])CC2)=[NH+]1	REAL300013300621	0	49	0.0	-51.42	384.63	13.11	-38.31
CC1=CC(N2C=CC=N2)=NC(NC2CCC(C(=O)[O-])CC2)=[NH+]1	REAL300013300622	1	41	0.0	-60.44	325.12	10.56	-49.88
CC1=CC(NC2CCC(C(=O)[O-])CC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013300625	0	48	0.0	-54.46	360.22	11.05	-43.41
CN(C1=[NH+]C=CC(NC2CCC(C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013300628	0	52	0.0	-63.21	375.90	12.65	-50.56
CC1=CC(NC2CCC(C(=O)[O-])CC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013300630	1	49	0.0	-61.21	377.64	13.29	-47.92
O=C([O-])C1CCC(NC2=C3C=CNC3=NC(C3CC3)=[NH+]2)CC1	REAL300013300672	0	42	0.0	-53.33	324.32	9.76	-43.57
O=C([O-])C1CCC(NC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)CC1	REAL300013300673	0	42	0.0	-63.57	336.40	8.22	-55.35
CN(C)C1=CC(NC2CCC(C(=O)[O-])CC2)=[NH+]C(N(C)C)=N1	REAL300013300677	0	47	0.0	-53.48	354.67	10.51	-42.97
CN(C)C1=CC(NC2CCC(C(=O)[O-])CC2)=NC(N(C)C)=[NH+]1	REAL300013300677	1	47	0.0	-53.18	352.29	10.50	-42.68
CC1=C(Cl)C2=[NH+]C=CC(NC3CCC(C(=O)[O-])CC3)=C2C=C1	REAL300013300684	1	41	0.0	-56.80	323.52	9.57	-47.23
O=C([O-])CCCCNC1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013300692	0	46	0.0	-61.67	358.06	5.47	-56.20
O=C([O-])CCCCNC1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013300692	1	46	0.0	-61.61	355.63	5.31	-56.30
COC1=CC=C(NC2=CC(NCCCCC(=O)[O-])=[NH+]C=N2)C(OC)=C1	REAL300013300694	1	47	0.0	-63.02	379.24	8.60	-54.42
COC1=CC2=NC(NCCCCC(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013300708	0	43	0.0	-59.34	346.94	6.71	-52.63
O=C([O-])CCCCNC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12	REAL300013300713	0	37	0.0	-59.91	317.17	8.27	-51.64
CC(C)(C)C1=CC(NCCCCC(=O)[O-])=NC(C(C)(C)C)=[NH+]1	REAL300013300717	1	51	0.0	-50.92	387.24	10.01	-40.91
CC1=CC(NCCCCC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013300724	1	42	0.0	-64.35	357.19	10.16	-54.19
O=C([O-])CCCCNC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013300749	1	34	0.0	-57.87	299.89	7.88	-49.99
CC1=[NH+]C2=CC=C(Br)C=C2C(NCCCCC(=O)[O-])=C1C	REAL300013300769	0	40	0.0	-58.73	338.17	9.01	-49.72
CCOC(=O)C1=C(NCCCCC(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013300792	1	46	0.0	-67.31	380.20	7.76	-59.55
CCOC(=O)C1=C(NCCCCC(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013300793	1	49	0.0	-61.57	388.58	10.40	-51.17
O=C([O-])CCCCNC1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013300808	0	46	0.0	-61.39	356.30	4.64	-56.75
O=C([O-])CCCCNC1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013300808	1	46	0.0	-60.21	357.09	4.84	-55.37
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCCCCC(=O)[O-])=C1	REAL300013300812	0	39	0.0	-63.72	327.99	8.51	-55.21
CN1CCN(C2=CC(NCCCCC(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013300819	0	43	0.0	-68.23	343.02	6.19	-62.04
CN1CCN(C2=CC(NCCCCC(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013300819	1	43	0.0	-59.28	336.14	5.37	-53.91
CC(C)C1OCCCC1NC1=CC(NCCCCC(=O)[O-])=[NH+]C=N1	REAL300013300825	0	52	0.0	-57.21	394.70	8.96	-48.25
CC(C)C1OCCCC1NC1=CC(NCCCCC(=O)[O-])=NC=[NH+]1	REAL300013300825	1	52	0.0	-57.58	394.66	8.96	-48.62
O=C([O-])CCCCNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013300837	0	45	0.0	-60.79	367.39	10.12	-50.67
O=C([O-])CCCCNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013300843	1	41	0.0	-50.51	346.80	10.21	-40.30
CC(C)NC1=NC(NCCO)=[NH+]C(NCCCCC(=O)[O-])=N1	REAL300013300856	0	46	0.0	-51.22	372.62	7.94	-43.28
CC(C)NC1=NC(NCCO)=NC(NCCCCC(=O)[O-])=[NH+]1	REAL300013300856	1	46	0.0	-50.64	371.96	7.90	-42.74
CC(C)NC1=[NH+]C(NCCO)=NC(NCCCCC(=O)[O-])=N1	REAL300013300856	1	46	0.0	-55.86	372.01	7.92	-47.94
CCNC1=[NH+]C(NCCCCC(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013300863	0	48	0.0	-49.58	373.80	12.17	-37.41
CCNC1=NC(NCCCCC(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013300863	1	48	0.0	-54.24	375.41	12.23	-42.01
CCNC1=NC(NCCCCC(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013300863	1	48	0.0	-49.78	375.85	12.24	-37.54
CN(C1=CC=CC=C1)C1=CC(NCCCCC(=O)[O-])=[NH+]C=N1	REAL300013300872	1	42	0.0	-62.12	343.86	9.97	-52.15
CC(O)C1CCN(C2=CC(NCCCCC(=O)[O-])=[NH+]C=N2)C1	REAL300013300887	0	46	0.0	-60.42	355.48	5.81	-54.61
CC(O)C1CCN(C2=CC(NCCCCC(=O)[O-])=NC=[NH+]2)C1	REAL300013300887	1	46	0.0	-60.09	356.33	5.12	-54.97
CC(C)OC1=CC2=C(NCCCCC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013300890	0	44	0.0	-58.78	347.76	8.12	-50.66
CCOC(=O)C1=C(C)C2=C(NCCCCC(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013300922	1	53	0.0	-64.56	432.08	10.50	-54.06
C[NH+](C)CCNS(=O)(=O)C1=CC=C(NCCCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300013300926	0	50	0.0	-78.12	418.33	5.56	-72.56
CCC1=CC(NCCCCC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013300974	1	45	0.0	-63.24	378.63	10.88	-52.36
C[NH+](C)CC1=NC(NCCCCC(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013300991	1	51	0.0	-60.90	418.48	11.97	-48.93
O=C([O-])CCCCNC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013300992	1	34	0.0	-59.32	299.91	7.89	-51.43
O=C([O-])CCCCNC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013300998	1	34	0.0	-54.45	297.27	7.97	-46.48
CCOC1=CC2=[NH+]C=CC(NCCCCC(=O)[O-])=C2C=C1OCC	REAL300013301005	0	48	0.0	-60.10	380.75	8.35	-51.75
CCC1=CC(NCCCCC(=O)[O-])=NC(C2=CC=NC=C2)=[NH+]1	REAL300013301006	1	42	0.0	-57.30	345.61	8.44	-48.86
COC1=CC2=[NH+]C=CC(NCCCCC(=O)[O-])=C2C=C1Br	REAL300013301034	0	38	0.0	-60.76	328.39	7.24	-53.52
CC1(C)CCCN(C2=CC=[NH+]C(NCCCCC(=O)[O-])=N2)C1	REAL300013301041	0	48	0.0	-56.44	362.84	10.29	-46.15
CC1=CC2=C(NCCCCC(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013301045	0	47	0.0	-55.50	366.42	10.33	-45.17
COC1=CC2=[NH+]C=CC(NCCCCC(=O)[O-])=C2C=C1OC	REAL300013301049	0	42	0.0	-60.29	337.04	6.52	-53.77
O=C([O-])CCCCNC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013301063	0	43	0.0	-59.27	348.47	10.07	-49.20
CC1=CC=C2C(NCCCCC(=O)[O-])=CC(C)=[NH+]C2=C1Cl	REAL300013301073	0	40	0.0	-51.47	332.96	9.00	-42.47
CC1=NC(NCCCCC(=O)[O-])=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013301076	0	42	0.0	-53.59	342.53	9.26	-44.33
CC1=[NH+]C(NCCCCC(=O)[O-])=CC(NC2=CC=CC=C2)=N1	REAL300013301076	1	42	0.0	-56.38	344.19	9.65	-46.73
CN(C1=CC=[NH+]C(NCCCCC(=O)[O-])=N1)C1CCCCC1	REAL300013301080	0	48	0.0	-54.88	364.59	11.37	-43.51
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCCCCC(=O)[O-])=[NH+]1	REAL300013301082	0	45	0.0	-55.16	365.36	11.26	-43.90
CN(C1=[NH+]C=CC(NCCCCC(=O)[O-])=N1)C1CCCCC1	REAL300013301084	0	48	0.0	-56.87	364.13	11.50	-45.37
CC1=CC(NCCCCC(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013301086	1	45	0.0	-55.15	365.89	12.16	-42.99
O=C([O-])CCCCNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013301117	0	38	0.0	-59.03	324.53	7.07	-51.96
CC1=[NH+]C2=CC=C(F)C=C2C(NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013301134	0	38	0.0	-65.41	322.61	9.21	-56.20
O=C([O-])C1=CC=CC(CNC2=CC(N3CCSCC3)=NC=[NH+]2)=C1	REAL300013301140	0	41	0.0	-67.82	342.01	9.38	-58.44
O=C([O-])C1=CC=CC(CNC2=CC(N3CCSCC3)=[NH+]C=N2)=C1	REAL300013301140	1	41	0.0	-68.95	341.00	8.95	-60.00
O=C([O-])C1=CC=CC(CNC2=CC(N3CCCCC3)=NC=[NH+]2)=C1	REAL300013301157	0	43	0.0	-64.47	342.67	9.49	-54.98
O=C([O-])C1=CC=CC(CNC2=CC(N3CCCCC3)=[NH+]C=N2)=C1	REAL300013301157	1	43	0.0	-66.08	340.31	9.33	-56.75
O=C([O-])C1=CC=CC(CNC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)=C1	REAL300013301158	0	47	0.0	-67.64	374.32	6.78	-60.86
O=C([O-])C1=CC=CC(CNC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)=C1	REAL300013301158	1	47	0.0	-68.37	371.92	6.62	-61.75
CCCC1=[NH+]C2=CC=CC=C2C(NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013301159	0	44	0.0	-60.32	359.13	10.66	-49.66
COC1=CC2=NC(NCC3=CC=CC(C(=O)[O-])=C3)=[NH+]C(N)=C2C=C1OC	REAL300013301188	0	44	0.0	-70.60	363.20	8.03	-62.57
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)=C1	REAL300013301197	0	38	0.0	-68.95	333.44	9.58	-59.37
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC=C(Cl)C=C23)=C1	REAL300013301206	1	35	0.0	-68.95	311.61	9.08	-59.87
O=C([O-])C1=CC=CC(CNC2=CC(N3CCOCC3)=NC=[NH+]2)=C1	REAL300013301215	0	41	0.0	-65.73	333.75	7.03	-58.70
O=C([O-])C1=CC=CC(CNC2=CC(N3CCOCC3)=[NH+]C=N2)=C1	REAL300013301215	1	41	0.0	-67.04	331.34	6.88	-60.16
CC1=CC2=[NH+]C(NCC3=CC=CC(C(=O)[O-])=C3)=CC(C)=C2C=C1	REAL300013301232	1	41	0.0	-58.77	336.79	10.54	-48.23
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC(Cl)=CC=C23)=C1	REAL300013301250	1	35	0.0	-66.48	311.60	9.07	-57.41
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC(Br)=CC=C23)=C1	REAL300013301259	1	35	0.0	-66.64	316.16	9.18	-57.46
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300013301288	0	41	0.0	-68.94	354.82	10.33	-58.61
NC1=[NH+]C(NCC2=CC=CC(C(=O)[O-])=C2)=CC(N2C=CC=N2)=N1	REAL300013301316	1	37	0.0	-63.70	322.59	8.70	-55.00
O=C([O-])C1=CC=CC(CNC2=[NH+]C=CC(N3CCOCC3)=N2)=C1	REAL300013301319	0	41	0.0	-69.69	333.72	7.78	-61.91
COC1=CC=CC2=C(NCC3=CC=CC(C(=O)[O-])=C3)C=C(C)[NH+]=C12	REAL300013301324	1	42	0.0	-59.14	344.54	8.57	-50.57
CCOC(=O)C1=C(NCC2=CC=CC(C(=O)[O-])=C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013301325	1	47	0.0	-79.93	396.46	9.09	-70.84
CCOC(=O)C1=C(NCC2=CC=CC(C(=O)[O-])=C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013301326	1	50	0.0	-76.02	405.23	11.72	-64.30
CCC1=[NH+]C2=CC=CC=C2C(NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013301333	0	41	0.0	-60.16	337.64	9.88	-50.28
CC(C)C1=[NH+]C(NCC2=CC=CC(C(=O)[O-])=C2)=NC(N(C)C)=N1	REAL300013301343	1	44	0.0	-59.19	358.38	12.93	-46.26
CC(C)C1=NC(NCC2=CC=CC(C(=O)[O-])=C2)=NC(N(C)C)=[NH+]1	REAL300013301343	1	44	0.0	-60.30	358.92	12.77	-47.53
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C(N3CCCCC3)=N2)=C1	REAL300013301349	0	43	0.0	-66.21	342.61	9.89	-56.32
CCC1=C(NCC2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2[NH+]=C1C	REAL300013301360	0	44	0.0	-64.76	354.18	10.42	-54.34
O=C([O-])C1=CC=CC(CNC2=CC(N3CCCCC3CO)=NC=[NH+]2)=C1	REAL300013301367	0	47	0.0	-67.50	372.58	5.95	-61.55
O=C([O-])C1=CC=CC(CNC2=CC(N3CCCCC3CO)=[NH+]C=N2)=C1	REAL300013301367	1	47	0.0	-66.77	373.34	6.15	-60.62
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013301371	0	40	0.0	-74.78	344.26	9.81	-64.97
CC1=[NH+]C2=CC=CC=C2C(NCC2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300013301376	0	41	0.0	-63.78	333.55	9.73	-54.05
CC1=C2[NH+]=CC(C)=C(NCC3=CC=CC(C(=O)[O-])=C3)C2=CC=C1	REAL300013301383	0	41	0.0	-65.24	327.97	9.69	-55.55
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C=C2Br)=C1	REAL300013301385	1	29	0.0	-70.36	270.68	7.06	-63.30
CN1CCN(C2=CC(NCC3=CC=CC(C(=O)[O-])=C3)=[NH+]C=N2)CC1=O	REAL300013301386	0	44	0.0	-72.69	359.29	7.50	-65.19
CN1CCN(C2=CC(NCC3=CC=CC(C(=O)[O-])=C3)=NC=[NH+]2)CC1=O	REAL300013301386	1	44	0.0	-68.19	352.41	6.68	-61.51
CCOC(=O)C1=C[NH+]=CC=C1NCC1=CC=CC(C(=O)[O-])=C1	REAL300013301400	1	38	0.0	-76.91	323.57	8.18	-68.73
COC1=CC=CC2=C(NCC3=CC=CC(C(=O)[O-])=C3)C(C)=C[NH+]=C12	REAL300013301409	1	42	0.0	-68.36	340.40	8.43	-59.93
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)=C1	REAL300013301419	0	46	0.0	-71.50	383.66	11.42	-60.08
O=C([O-])C1=CC=CC(CNC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)=C1	REAL300013301426	1	42	0.0	-57.25	363.07	11.51	-45.74
CCCCNC1=CC(NCC2=CC=CC(C(=O)[O-])=C2)=NC(N)=[NH+]1	REAL300013301435	0	44	0.0	-63.59	361.35	8.46	-55.13
CCCCNC1=CC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]C(N)=N1	REAL300013301435	1	44	0.0	-60.17	361.35	8.46	-51.71
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C=C2Br)=C1	REAL300013301443	1	29	0.0	-70.36	270.68	7.06	-63.30
CC(C)NC1=[NH+]C(NCCO)=NC(NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013301448	0	47	0.0	-62.40	388.28	9.23	-53.17
CC(C)NC1=NC(NCCO)=[NH+]C(NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013301448	1	47	0.0	-61.66	388.89	9.25	-52.41
CC(C)NC1=NC(NCCO)=NC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]1	REAL300013301448	1	47	0.0	-60.28	388.23	9.22	-51.06
CCNC1=[NH+]C(NCC2=CC=CC(C(=O)[O-])=C2)=NC(NC(C)(C)C)=N1	REAL300013301461	0	49	0.0	-59.27	390.07	13.48	-45.79
CCNC1=NC(NCC2=CC=CC(C(=O)[O-])=C2)=NC(NC(C)(C)C)=[NH+]1	REAL300013301461	1	49	0.0	-60.42	392.11	13.56	-46.86
CCNC1=NC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]C(NC(C)(C)C)=N1	REAL300013301461	1	49	0.0	-59.26	392.12	13.55	-45.71
CN(C1=CC=CC=C1)C1=CC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]C=N1	REAL300013301480	1	43	0.0	-62.37	362.56	12.17	-50.20
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)=C1	REAL300013301505	1	35	0.0	-71.28	317.41	9.13	-62.15
CC(O)C1CCN(C2=CC(NCC3=CC=CC(C(=O)[O-])=C3)=[NH+]C=N2)C1	REAL300013301506	0	47	0.0	-66.80	371.75	7.12	-59.68
CC(O)C1CCN(C2=CC(NCC3=CC=CC(C(=O)[O-])=C3)=NC=[NH+]2)C1	REAL300013301506	1	47	0.0	-67.90	372.66	6.42	-61.48
O=C([O-])C1=CC=CC(CNC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)=C1	REAL300013301508	1	38	0.0	-66.64	321.09	10.49	-56.15
CCCC1=CC2=C(NCC3=CC=CC(C(=O)[O-])=C3)C=C[NH+]=C2C=C1	REAL300013301511	0	44	0.0	-65.19	359.25	10.77	-54.42
CCC1=CC2=C(NCC3=CC=CC(C(=O)[O-])=C3)C=C[NH+]=C2C=C1	REAL300013301512	0	41	0.0	-65.04	337.76	9.99	-55.05
CC(C)OC1=CC2=C(NCC3=CC=CC(C(=O)[O-])=C3)C=C[NH+]=C2C=C1	REAL300013301514	0	45	0.0	-68.83	364.02	9.42	-59.41
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC=C(Br)C=C23)=C1	REAL300013301628	1	35	0.0	-69.10	316.18	9.19	-59.91
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=C(Br)C=CC=C23)=C1	REAL300013301634	1	35	0.0	-62.35	313.53	9.27	-53.08
CCOC1=CC2=[NH+]C=CC(NCC3=CC=CC(C(=O)[O-])=C3)=C2C=C1OCC	REAL300013301645	0	49	0.0	-68.81	397.01	9.66	-59.15
COC1=CC2=[NH+]C=CC(NCC3=CC=CC(C(=O)[O-])=C3)=C2C=C1Br	REAL300013301686	0	39	0.0	-70.60	344.65	8.54	-62.06
CC1(C)CCCN(C2=CC=[NH+]C(NCC3=CC=CC(C(=O)[O-])=C3)=N2)C1	REAL300013301695	0	49	0.0	-66.99	379.11	11.60	-55.39
CC1=CC2=C(NCC3=CC=CC(C(=O)[O-])=C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013301700	0	48	0.0	-62.33	382.72	11.64	-50.69
CC1=CC(C(F)(F)F)=CC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]1	REAL300013301703	0	35	0.0	-63.84	311.96	8.79	-55.05
COC1=CC2=[NH+]C=CC(NCC3=CC=CC(C(=O)[O-])=C3)=C2C=C1OC	REAL300013301708	0	43	0.0	-68.97	353.31	7.82	-61.15
O=C([O-])C1=CC=CC(CNC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)=C1	REAL300013301742	0	44	0.0	-70.74	364.75	11.38	-59.36
CC1=CC=C2C(NCC3=CC=CC(C(=O)[O-])=C3)=CC(C)=[NH+]C2=C1Cl	REAL300013301770	0	41	0.0	-58.84	349.23	10.30	-48.54
CC1=NC(NCC2=CC=CC(C(=O)[O-])=C2)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013301772	1	43	0.0	-62.19	358.80	10.56	-51.63
CC1=[NH+]C(NCC2=CC=CC(C(=O)[O-])=C2)=CC(NC2=CC=CC=C2)=N1	REAL300013301772	1	43	0.0	-62.30	360.45	10.95	-51.35
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)[O-])=C2)=C1Br	REAL300013301775	0	32	0.0	-68.14	288.85	7.55	-60.59
CN(C1=CC=[NH+]C(NCC2=CC=CC(C(=O)[O-])=C2)=N1)C1CCCCC1	REAL300013301777	0	49	0.0	-65.53	380.86	12.68	-52.85
CC1=CC(N(C)C(C)C)=NC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]1	REAL300013301778	0	45	0.0	-61.66	360.16	11.40	-50.26
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]1	REAL300013301781	0	46	0.0	-65.46	381.62	12.58	-52.88
CC1=CC(N2C=CC=N2)=NC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]1	REAL300013301782	1	38	0.0	-65.22	329.04	10.62	-54.60
CC1=CC(NCC2=CC=CC(C(=O)[O-])=C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013301785	0	45	0.0	-62.36	360.31	11.50	-50.86
CN(C1=[NH+]C=CC(NCC2=CC=CC(C(=O)[O-])=C2)=N1)C1CCCCC1	REAL300013301788	0	49	0.0	-66.50	380.40	12.81	-53.69
O=C([O-])C1=CC=CC(CNC2=C3C=CNC3=NC(C3CC3)=[NH+]2)=C1	REAL300013301834	1	39	0.0	-59.85	328.00	9.83	-50.02
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)=C1	REAL300013301835	0	39	0.0	-68.07	340.80	8.37	-59.70
CN(C)C1=CC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]C(N(C)C)=N1	REAL300013301839	0	44	0.0	-57.63	356.04	11.06	-46.57
CN(C)C1=CC(NCC2=CC=CC(C(=O)[O-])=C2)=NC(N(C)C)=[NH+]1	REAL300013301839	1	44	0.0	-60.72	353.17	10.89	-49.83
CC1=C(Cl)C2=[NH+]C=CC(NCC3=CC=CC(C(=O)[O-])=C3)=C2C=C1	REAL300013301846	1	38	0.0	-62.21	327.93	9.72	-52.49
COC1=CC=C(NC2=CC(NCCC(=O)[O-])=[NH+]C=N2)C(OC)=C1	REAL300013301848	1	41	0.0	-53.40	336.24	7.02	-46.38
CC1=CC(NCCC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013301856	1	36	0.0	-54.15	314.19	8.57	-45.58
C[NH+](C)CCCNS(=O)(=O)C1=CC=C(NCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300013301861	0	47	0.0	-72.14	396.83	4.78	-67.36
CC1=[NH+]C2=CC=C(Br)C=C2C(NCCC(=O)[O-])=C1C	REAL300013301882	0	34	0.0	-53.14	295.17	7.42	-45.72
CCOC(=O)C1=C(NCCC(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013301893	1	40	0.0	-62.73	337.20	6.18	-56.55
CCOC(=O)C1=C(NCCC(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013301894	1	43	0.0	-56.96	345.58	8.81	-48.15
CC(C)C1OCCCC1NC1=CC(NCCC(=O)[O-])=[NH+]C=N1	REAL300013301906	0	46	0.0	-49.89	352.89	7.21	-42.68
CC(C)C1OCCCC1NC1=CC(NCCC(=O)[O-])=NC=[NH+]1	REAL300013301906	1	46	0.0	-49.05	351.66	7.37	-41.68
O=C([O-])CCNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013301914	0	39	0.0	-52.25	324.40	8.54	-43.71
O=C([O-])CCNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013301918	1	35	0.0	-40.61	303.80	8.64	-31.97
CCOC(=O)C1=C(C)C2=C(NCCC(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013301963	1	47	0.0	-56.32	389.08	8.93	-47.39
C[NH+](C)CCNS(=O)(=O)C1=CC=C(NCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300013301966	0	44	0.0	-72.63	375.33	4.00	-68.63
CCC1=CC(NCCC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013301991	1	39	0.0	-52.96	335.63	9.30	-43.66
C[NH+](C)CC1=NC(NCCC(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013302006	1	45	0.0	-54.84	375.45	10.40	-44.44
CCOC1=CC2=[NH+]C=CC(NCCC(=O)[O-])=C2C=C1OCC	REAL300013302013	0	42	0.0	-50.91	337.75	6.78	-44.13
COC1=CC2=[NH+]C=CC(NCCC(=O)[O-])=C2C=C1Br	REAL300013302027	0	32	0.0	-51.41	285.39	5.66	-45.75
CC1=CC2=C(NCCC(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013302032	0	41	0.0	-48.96	323.43	8.74	-40.22
O=C([O-])CCNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013302058	0	32	0.0	-49.50	281.53	5.49	-44.01
CC1=CC=[NH+]C(NCCCCCC(=O)[O-])=C1Br	REAL300013302066	1	34	0.0	-62.07	294.04	8.14	-53.93
O=C([O-])CCCCCNC1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013302070	0	43	0.0	-64.33	347.21	8.85	-55.48
O=C([O-])CCCCCNC1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013302070	1	43	0.0	-64.77	346.24	8.43	-56.34
O=C([O-])CCCCCNC1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013302077	0	49	0.0	-64.07	379.55	6.25	-57.82
O=C([O-])CCCCCNC1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013302077	1	49	0.0	-64.90	377.19	6.09	-58.81
CCCC1=[NH+]C2=CC=CC=C2C(NCCCCCC(=O)[O-])=C1	REAL300013302078	0	46	0.0	-56.09	364.36	10.14	-45.95
COC1=CC=C(NC2=CC(NCCCCCC(=O)[O-])=[NH+]C=N2)C(OC)=C1	REAL300013302080	1	50	0.0	-65.43	400.74	9.38	-56.05
COC1=CC2=NC(NCCCCCC(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013302099	0	46	0.0	-65.75	368.44	7.49	-58.26
O=C([O-])CCCCCNC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12	REAL300013302106	0	40	0.0	-64.18	338.67	9.05	-55.13
CC(C)(C)C1=CC(NCCCCCC(=O)[O-])=NC(C(C)(C)C)=[NH+]1	REAL300013302113	1	54	0.0	-55.22	408.74	10.79	-44.43
CC1=CC(NCCCCCC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013302123	1	45	0.0	-69.30	378.69	10.94	-58.36
O=C([O-])CCCCCNC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013302152	1	37	0.0	-61.95	321.39	8.66	-53.29
CC1=[NH+]C2=CC=C(Br)C=C2C(NCCCCCC(=O)[O-])=C1C	REAL300013302175	0	43	0.0	-61.36	359.66	9.79	-51.57
COC1=CC=CC2=C(NCCCCCC(=O)[O-])C=C(C)[NH+]=C12	REAL300013302202	1	44	0.0	-55.13	349.77	8.05	-47.08
CCOC(=O)C1=C(NCCCCCC(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013302203	1	49	0.0	-70.39	401.70	8.55	-61.84
CCOC(=O)C1=C(NCCCCCC(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013302204	1	52	0.0	-64.71	410.07	11.18	-53.53
CCC1=C(NCCCCCC(=O)[O-])C2=CC=CC=C2[NH+]=C1C	REAL300013302222	0	46	0.0	-58.14	356.95	9.86	-48.28
O=C([O-])CCCCCNC1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013302226	0	49	0.0	-64.48	377.80	5.43	-59.05
O=C([O-])CCCCCNC1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013302226	1	49	0.0	-62.73	378.59	5.63	-57.10
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCCCCCC(=O)[O-])=C1	REAL300013302230	0	42	0.0	-68.98	349.49	9.29	-59.69
CN1CCN(C2=CC(NCCCCCC(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013302238	0	46	0.0	-69.89	364.52	6.97	-62.92
CN1CCN(C2=CC(NCCCCCC(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013302238	1	46	0.0	-64.52	357.64	6.16	-58.36
CC(C)C1OCCCC1NC1=CC(NCCCCCC(=O)[O-])=[NH+]C=N1	REAL300013302246	0	55	0.0	-61.48	417.39	9.57	-51.91
CC(C)C1OCCCC1NC1=CC(NCCCCCC(=O)[O-])=NC=[NH+]1	REAL300013302246	1	55	0.0	-61.77	416.16	9.74	-52.03
COC1=CC=CC2=C(NCCCCCC(=O)[O-])C(C)=C[NH+]=C12	REAL300013302256	1	44	0.0	-58.86	349.47	8.08	-50.78
O=C([O-])CCCCCNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013302266	0	48	0.0	-65.41	388.89	10.90	-54.51
O=C([O-])CCCCCNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013302272	1	44	0.0	-53.97	368.30	10.99	-42.98
CC(C)NC1=NC(NCCO)=[NH+]C(NCCCCCC(=O)[O-])=N1	REAL300013302288	0	49	0.0	-57.23	394.12	8.73	-48.50
CC(C)NC1=NC(NCCO)=NC(NCCCCCC(=O)[O-])=[NH+]1	REAL300013302288	1	49	0.0	-56.22	393.46	8.69	-47.53
CC(C)NC1=[NH+]C(NCCO)=NC(NCCCCCC(=O)[O-])=N1	REAL300013302288	1	49	0.0	-58.25	393.51	8.70	-49.55
CCNC1=[NH+]C(NCCCCCC(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013302298	0	51	0.0	-55.48	395.30	12.95	-42.53
CCNC1=NC(NCCCCCC(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013302298	1	51	0.0	-56.70	396.91	13.01	-43.69
CCNC1=NC(NCCCCCC(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013302298	1	51	0.0	-55.15	397.35	13.02	-42.13
CN(C1=CC=CC=C1)C1=CC(NCCCCCC(=O)[O-])=[NH+]C=N1	REAL300013302309	1	45	0.0	-64.26	365.35	10.75	-53.51
O=C([O-])CCCCCNC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12	REAL300013302328	1	37	0.0	-65.98	322.64	8.61	-57.37
CC(O)C1CCN(C2=CC(NCCCCCC(=O)[O-])=[NH+]C=N2)C1	REAL300013302329	0	49	0.0	-62.92	376.98	6.60	-56.32
CC(O)C1CCN(C2=CC(NCCCCCC(=O)[O-])=NC=[NH+]2)C1	REAL300013302329	1	49	0.0	-62.86	377.84	5.90	-56.96
CCCC1=CC2=C(NCCCCCC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013302333	0	46	0.0	-60.17	364.48	10.25	-49.92
CC(C)OC1=CC2=C(NCCCCCC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013302335	0	47	0.0	-63.13	369.25	8.90	-54.23
CC1=CC(NCCCCCC(=O)[O-])=NC(C2=CC=CN=C2)=[NH+]1	REAL300013302419	1	42	0.0	-60.85	345.50	8.47	-52.38
CCC1=CC(NCCCCCC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013302420	1	48	0.0	-68.16	400.13	11.67	-56.49
C[NH+](C)CC1=NC(NCCCCCC(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013302440	1	54	0.0	-65.47	439.95	12.76	-52.71
O=C([O-])CCCCCNC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013302441	1	37	0.0	-63.78	321.41	8.67	-55.11
O=C([O-])CCCCCNC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013302448	1	37	0.0	-58.27	318.77	8.75	-49.52
CCOC1=CC2=[NH+]C=CC(NCCCCCC(=O)[O-])=C2C=C1OCC	REAL300013302456	0	51	0.0	-64.18	402.24	9.14	-55.04
CCC1=CC(NCCCCCC(=O)[O-])=NC(C2=CC=NC=C2)=[NH+]1	REAL300013302458	1	45	0.0	-61.98	367.11	9.22	-52.76
COC1=CC2=[NH+]C=CC(NCCCCCC(=O)[O-])=C2C=C1Br	REAL300013302491	0	41	0.0	-65.30	349.89	8.02	-57.28
CC1(C)CCCN(C2=CC=[NH+]C(NCCCCCC(=O)[O-])=N2)C1	REAL300013302499	0	51	0.0	-62.19	384.34	11.07	-51.12
CC1=CC2=C(NCCCCCC(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013302504	0	50	0.0	-58.22	387.92	11.11	-47.11
O=C([O-])CCCCCNC1=CC(NC2=CC=CC=C2)=NC=[NH+]1	REAL300013302508	1	42	0.0	-61.23	342.04	9.68	-51.55
O=C([O-])CCCCCNC1=CC(NC2=CC=CC=C2)=[NH+]C=N1	REAL300013302508	1	42	0.0	-63.01	342.08	9.67	-53.34
COC1=CC2=[NH+]C=CC(NCCCCCC(=O)[O-])=C2C=C1OC	REAL300013302510	0	45	0.0	-64.40	358.54	7.30	-57.10
O=C([O-])CCCCCNC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013302533	0	46	0.0	-65.13	369.97	10.85	-54.28
CC1=CC=C2C(NCCCCCC(=O)[O-])=CC(C)=[NH+]C2=C1Cl	REAL300013302550	0	43	0.0	-55.21	354.46	9.78	-45.43
CC1=NC(NCCCCCC(=O)[O-])=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013302553	0	45	0.0	-57.61	364.03	10.04	-47.57
CC1=[NH+]C(NCCCCCC(=O)[O-])=CC(NC2=CC=CC=C2)=N1	REAL300013302553	1	45	0.0	-59.38	365.68	10.43	-48.95
CC1=[NH+]C=CC(NCCCCCC(=O)[O-])=C1Br	REAL300013302556	0	34	0.0	-63.05	294.08	7.03	-56.02
CN(C1=CC=[NH+]C(NCCCCCC(=O)[O-])=N1)C1CCCCC1	REAL300013302558	0	51	0.0	-60.41	386.09	12.15	-48.26
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCCCCCC(=O)[O-])=[NH+]1	REAL300013302561	0	48	0.0	-56.27	389.31	12.93	-43.34
CN(C1=[NH+]C=CC(NCCCCCC(=O)[O-])=N1)C1CCCCC1	REAL300013302564	0	51	0.0	-61.26	385.63	12.28	-48.98
CC1=CC(NCCCCCC(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013302566	1	48	0.0	-59.64	387.39	12.95	-46.69
O=C([O-])CCCCCNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013302602	0	41	0.0	-63.23	346.03	7.85	-55.38
CC1=C(Cl)C2=[NH+]C=CC(NCCCCCC(=O)[O-])=C2C=C1	REAL300013302609	1	40	0.0	-58.11	333.17	9.20	-48.91
CCCCC(NC1=CC(N2CCSCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013302613	0	43	0.0	-43.13	344.75	9.04	-34.09
CCCCC(NC1=CC(N2CCSCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013302613	1	43	0.0	-45.24	344.29	8.65	-36.59
CCCCC(NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013302619	0	49	0.0	-42.58	377.63	6.49	-36.09
CCCCC(NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013302619	1	49	0.0	-49.31	375.21	6.33	-42.98
CCCCC(NC1=NC2=CC(OC)=C(OC)C=C2C(N)=[NH+]1)C(=O)[O-]	REAL300013302631	0	46	0.0	-37.89	366.66	7.78	-30.11
CCCCC(NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013302635	0	40	0.0	-42.81	336.99	9.24	-33.57
CCCCC(NC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013302675	1	37	0.0	-41.61	319.71	8.84	-32.77
CCCCC(NC1=CC(C)=[NH+]C2=C(OC)C=CC=C12)C(=O)[O-]	REAL300013302699	1	44	0.0	-37.51	348.19	8.23	-29.28
CCCCC(NC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013302711	0	49	0.0	-42.72	376.11	5.60	-37.12
CCCCC(NC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013302711	1	49	0.0	-46.95	376.10	5.82	-41.13
CCCCC(NC1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013302721	0	46	0.0	-50.02	362.04	7.16	-42.86
CCCCC(NC1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013302721	1	46	0.0	-43.64	355.93	6.34	-37.30
CCCCC(NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013302738	0	48	0.0	-46.58	387.22	11.07	-35.51
CCCCC(NC1=[NH+]C(NCCO)=NC(NC(C)C)=N1)C(=O)[O-]	REAL300013302750	0	49	0.0	-30.94	392.60	8.97	-21.97
CCCCC(NC1=NC(NCCO)=NC(NC(C)C)=[NH+]1)C(=O)[O-]	REAL300013302750	1	49	0.0	-30.32	391.94	8.94	-21.38
CCCCC(NC1=NC(NCCO)=[NH+]C(NC(C)C)=N1)C(=O)[O-]	REAL300013302750	1	49	0.0	-45.19	391.60	8.95	-36.24
CCCCC(NC1=[NH+]C(NCC)=NC(NC(C)(C)C)=N1)C(=O)[O-]	REAL300013302757	0	51	0.0	-28.07	393.77	13.19	-14.88
CCCCC(NC1=NC(NCC)=NC(NC(C)(C)C)=[NH+]1)C(=O)[O-]	REAL300013302757	1	51	0.0	-27.38	391.01	12.85	-14.53
CCCCC(NC1=NC(NCC)=[NH+]C(NC(C)(C)C)=N1)C(=O)[O-]	REAL300013302757	1	51	0.0	-41.73	392.05	12.91	-28.82
CCCCC(NC1=CC(N(C)C2=CC=CC=C2)=NC=[NH+]1)C(=O)[O-]	REAL300013302761	1	45	0.0	-43.09	363.41	10.97	-32.12
CCCCC(NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12)C(=O)[O-]	REAL300013302774	1	37	0.0	-43.20	320.18	8.81	-34.39
CCCCC(NC1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013302775	0	49	0.0	-45.65	377.60	6.64	-39.01
CCCCC(NC1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013302775	1	49	0.0	-49.01	375.96	6.14	-42.87
CCCCC(NC1=CC=[NH+]C2=CC=C(CCC)C=C12)C(=O)[O-]	REAL300013302778	0	46	0.0	-42.10	362.03	10.45	-31.65
CCCCC(NC1=CC=[NH+]C2=CC=C(OC(C)C)C=C12)C(=O)[O-]	REAL300013302780	0	47	0.0	-43.61	367.73	9.09	-34.52
CCCCC(NC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013302863	1	54	0.0	-54.76	432.56	12.80	-41.96
CCCCC(NC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013302864	1	37	0.0	-43.51	318.95	8.87	-34.64
CCCCC(NC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013302869	1	37	0.0	-37.97	317.08	8.93	-29.04
CCCCC(NC1=CC=[NH+]C2=CC(OCC)=C(OCC)C=C12)C(=O)[O-]	REAL300013302876	0	51	0.0	-44.43	400.57	9.31	-35.12
CCCCC(NC1=CC=[NH+]C2=CC(OC)=C(Br)C=C12)C(=O)[O-]	REAL300013302903	0	41	0.0	-44.46	348.20	8.20	-36.26
CCCCC(NC1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)C(=O)[O-]	REAL300013302910	0	51	0.0	-35.70	382.79	11.32	-24.38
CCCCC(NC1=CC=[NH+]C2=CC(OC)=C(OC)C=C12)C(=O)[O-]	REAL300013302918	0	45	0.0	-44.81	356.86	7.48	-37.33
CCCCC(NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013302934	0	46	0.0	-36.35	368.45	11.09	-25.26
CCCCC(NC1=CC(NC2=CC=CC=C2)=[NH+]C(C)=N1)C(=O)[O-]	REAL300013302952	1	45	0.0	-38.74	361.53	10.24	-28.50
CCCCC(NC1=CC(NC2=CC=CC=C2)=NC(C)=[NH+]1)C(=O)[O-]	REAL300013302952	1	45	0.0	-38.58	363.76	10.66	-27.92
CCCCC(NC1=CC=[NH+]C(C)=C1Br)C(=O)[O-]	REAL300013302954	0	34	0.0	-44.66	292.41	7.20	-37.46
CCCCC(NC1=[NH+]C=CC(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013302956	0	51	0.0	-34.35	384.56	12.40	-21.95
CCCCC(NC1=[NH+]C(C)=CC(N(C)C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300013302959	0	48	0.0	-32.77	384.54	12.28	-20.49
CCCCC(NC1=CC=[NH+]C(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013302962	0	51	0.0	-42.42	383.68	12.51	-29.91
CCCCC(NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013302986	0	41	0.0	-42.10	344.10	8.07	-34.03
CCCCC(NC1=CC=[NH+]C2=C(Cl)C(C)=CC=C12)C(=O)[O-]	REAL300013302991	1	40	0.0	-37.62	331.24	9.42	-28.20
CCCC(NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013302994	0	46	0.0	-42.73	356.13	5.71	-37.02
CCCC(NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013302994	1	46	0.0	-49.96	353.95	5.49	-44.47
CCCC(NC1=NC2=CC(OC)=C(OC)C=C2C(N)=[NH+]1)C(=O)[O-]	REAL300013303003	0	43	0.0	-37.90	345.40	6.96	-30.94
CCCC(NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013303005	0	37	0.0	-42.64	315.25	8.50	-34.14
CCCC(NC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013303037	1	34	0.0	-41.42	297.97	8.10	-33.32
CCCC(NC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013303064	0	46	0.0	-42.80	354.61	4.82	-37.98
CCCC(NC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013303064	1	46	0.0	-47.10	354.61	5.04	-42.06
CCCC(NC1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013303073	0	43	0.0	-50.10	340.54	6.37	-43.73
CCCC(NC1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013303073	1	43	0.0	-43.84	334.43	5.56	-38.28
CCCC(NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013303086	0	45	0.0	-45.40	365.47	10.34	-35.06
CCCC(NC1=[NH+]C(NCCO)=NC(NC(C)C)=N1)C(=O)[O-]	REAL300013303096	0	46	0.0	-30.94	371.10	8.19	-22.75
CCCC(NC1=NC(NCCO)=NC(NC(C)C)=[NH+]1)C(=O)[O-]	REAL300013303096	1	46	0.0	-30.15	369.64	8.15	-22.00
CCCC(NC1=NC(NCCO)=[NH+]C(NC(C)C)=N1)C(=O)[O-]	REAL300013303096	1	46	0.0	-45.58	370.09	8.17	-37.41
CCCC(NC1=[NH+]C(NCC)=NC(NC(C)(C)C)=N1)C(=O)[O-]	REAL300013303100	0	48	0.0	-28.33	372.03	12.45	-15.88
CCCC(NC1=NC(NCC)=NC(NC(C)(C)C)=[NH+]1)C(=O)[O-]	REAL300013303100	1	48	0.0	-27.53	369.51	12.07	-15.46
CCCC(NC1=NC(NCC)=[NH+]C(NC(C)(C)C)=N1)C(=O)[O-]	REAL300013303100	1	48	0.0	-41.32	369.76	12.11	-29.21
CCCC(NC1=CC(N(C)C2=CC=CC=C2)=NC=[NH+]1)C(=O)[O-]	REAL300013303103	1	42	0.0	-44.70	341.91	10.20	-34.50
CCCC(NC1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013303112	0	46	0.0	-44.96	353.77	5.99	-38.97
CCCC(NC1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013303112	1	46	0.0	-48.83	354.66	5.31	-43.52
CCCC(NC1=CC=[NH+]C2=CC=C(OC(C)C)C=C12)C(=O)[O-]	REAL300013303115	0	44	0.0	-43.75	346.25	8.31	-35.44
CCCC(NC1=C2C(C)=C(C(=O)OCC)SC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013303145	1	53	0.0	-49.95	430.93	10.76	-39.19
CCCC(NC1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013303149	0	50	0.0	-76.47	413.58	5.74	-70.73
CCCC(NC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013303198	1	51	0.0	-41.16	403.66	12.13	-29.03
CCCC(NC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013303199	1	34	0.0	-44.37	298.23	8.06	-36.31
CCCC(NC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013303203	1	34	0.0	-38.14	295.59	8.14	-30.00
CCCC(NC1=CC=[NH+]C2=CC(OCC)=C(OCC)C=C12)C(=O)[O-]	REAL300013303209	0	48	0.0	-44.29	378.83	8.58	-35.71
CCCC(NC1=CC=[NH+]C2=CC(OC)=C(Br)C=C12)C(=O)[O-]	REAL300013303231	0	38	0.0	-44.34	326.46	7.46	-36.88
CCCC(NC1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)C(=O)[O-]	REAL300013303237	0	48	0.0	-35.89	361.29	10.54	-25.35
CCCC(NC1=CC=[NH+]C2=CC(OC)=C(OC)C=C12)C(=O)[O-]	REAL300013303243	0	42	0.0	-44.98	335.36	6.70	-38.28
CCCC(NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013303254	0	43	0.0	-36.51	346.95	10.31	-26.20
CCCC(NC1=CC(NC2=CC=CC=C2)=[NH+]C(C)=N1)C(=O)[O-]	REAL300013303266	1	42	0.0	-39.48	340.82	9.44	-30.04
CCCC(NC1=CC(NC2=CC=CC=C2)=NC(C)=[NH+]1)C(=O)[O-]	REAL300013303266	1	42	0.0	-38.68	342.26	9.89	-28.79
CCCC(NC1=[NH+]C=CC(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013303269	0	48	0.0	-34.37	362.82	11.66	-22.71
CCCC(NC1=[NH+]C(C)=CC(N(C)C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300013303271	0	45	0.0	-33.12	363.83	11.54	-21.58
CCCC(NC1=CC=[NH+]C(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013303273	0	48	0.0	-42.92	362.41	11.66	-31.26
CCCC(NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013303293	0	38	0.0	-42.21	322.61	7.29	-34.92
CC(O)(CNC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013303304	0	44	0.0	-51.66	343.51	2.18	-49.48
CC(O)(CNC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013303304	1	44	0.0	-54.10	340.73	1.99	-52.11
COC1=CC2=NC(NCC(C)(O)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013303320	0	41	0.0	-47.93	332.04	3.38	-44.55
CC(O)(CNC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013303325	0	35	0.0	-50.98	302.68	4.98	-46.00
CC(O)(CNC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013303361	1	32	0.0	-49.14	285.40	4.59	-44.55
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC(C)(O)C(=O)[O-])=C1C	REAL300013303381	0	38	0.0	-53.73	323.55	5.68	-48.05
CCOC(=O)C1=C(NCC(C)(O)C(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013303404	1	44	0.0	-62.85	364.79	4.43	-58.42
CCOC(=O)C1=C(NCC(C)(O)C(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013303405	1	47	0.0	-56.94	373.46	7.08	-49.86
CC(O)(CNC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013303421	0	44	0.0	-50.26	341.81	1.36	-48.90
CC(O)(CNC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013303421	1	44	0.0	-52.85	342.19	1.52	-51.33
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC(C)(O)C(=O)[O-])=C1	REAL300013303425	0	37	0.0	-55.26	313.50	5.22	-50.04
CN1CCN(C2=CC(NCC(C)(O)C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013303432	0	41	0.0	-58.52	328.53	2.90	-55.62
CN1CCN(C2=CC(NCC(C)(O)C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013303432	1	41	0.0	-49.82	321.24	2.05	-47.77
CC(O)(CNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013303450	0	43	0.0	-51.72	354.53	6.88	-44.84
CC(O)(CNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013303456	1	39	0.0	-40.63	332.31	6.92	-33.71
CC(C)NC1=NC(NCCO)=[NH+]C(NCC(C)(O)C(=O)[O-])=N1	REAL300013303469	0	44	0.0	-38.70	358.13	4.65	-34.05
CC(C)NC1=[NH+]C(NCCO)=NC(NCC(C)(O)C(=O)[O-])=N1	REAL300013303469	1	44	0.0	-48.88	357.05	4.58	-44.30
CC(C)NC1=NC(NCCO)=NC(NCC(C)(O)C(=O)[O-])=[NH+]1	REAL300013303469	1	44	0.0	-38.22	357.47	4.61	-33.61
CCNC1=[NH+]C(NCC(C)(O)C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013303477	0	46	0.0	-37.27	359.31	8.88	-28.39
CCNC1=NC(NCC(C)(O)C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013303477	1	46	0.0	-45.45	356.72	8.53	-36.92
CCNC1=NC(NCC(C)(O)C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013303477	1	46	0.0	-37.75	361.36	8.95	-28.80
CN(C1=CC=CC=C1)C1=CC(NCC(C)(O)C(=O)[O-])=[NH+]C=N1	REAL300013303486	1	40	0.0	-51.79	329.37	6.68	-45.11
CC(O)C1CCN(C2=CC(NCC(C)(O)C(=O)[O-])=[NH+]C=N2)C1	REAL300013303502	0	44	0.0	-50.45	340.99	2.53	-47.92
CC(O)C1CCN(C2=CC(NCC(C)(O)C(=O)[O-])=NC=[NH+]2)C1	REAL300013303502	1	44	0.0	-53.15	341.44	1.80	-51.35
CC(C)OC1=CC2=C(NCC(C)(O)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013303505	0	42	0.0	-51.77	333.28	4.83	-46.94
CCOC(=O)C1=C(C)C2=C(NCC(C)(O)C(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013303536	1	51	0.0	-56.61	417.16	7.18	-49.43
C[NH+](C)CCNS(=O)(=O)C1=CC=C(NCC(C)(O)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300013303540	0	48	0.0	-75.06	401.28	2.25	-72.81
C[NH+](C)CC1=NC(NCC(C)(O)C(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013303608	1	49	0.0	-53.94	402.52	8.66	-45.28
CC(O)(CNC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013303609	1	32	0.0	-51.45	285.42	4.60	-46.85
CC(O)(CNC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013303615	1	32	0.0	-45.17	282.77	4.68	-40.49
CCOC1=CC2=[NH+]C=CC(NCC(C)(O)C(=O)[O-])=C2C=C1OCC	REAL300013303622	0	46	0.0	-51.46	366.25	5.06	-46.40
COC1=CC2=[NH+]C=CC(NCC(C)(O)C(=O)[O-])=C2C=C1Br	REAL300013303651	0	36	0.0	-52.28	313.89	3.94	-48.34
CC(O)(CNC1=NC(N2CCCC(C)(C)C2)=CC=[NH+]1)C(=O)[O-]	REAL300013303658	0	46	0.0	-45.54	347.94	6.96	-38.58
CC1=CC2=C(NCC(C)(O)C(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013303662	0	45	0.0	-49.33	352.76	7.18	-42.15
COC1=CC2=[NH+]C=CC(NCC(C)(O)C(=O)[O-])=C2C=C1OC	REAL300013303667	0	40	0.0	-51.76	322.55	3.23	-48.53
CC(O)(CNC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013303682	0	41	0.0	-48.00	333.58	6.74	-41.26
CC1=CC=C2C(NCC(C)(O)C(=O)[O-])=CC(C)=[NH+]C2=C1Cl	REAL300013303693	0	38	0.0	-42.00	318.47	5.70	-36.30
CC1=NC(NCC(C)(O)C(=O)[O-])=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013303696	1	40	0.0	-45.07	327.63	5.94	-39.13
CC1=[NH+]C(NCC(C)(O)C(=O)[O-])=CC(NC2=CC=CC=C2)=N1	REAL300013303696	1	40	0.0	-46.03	329.70	6.36	-39.67
CN(C1=CC=[NH+]C(NCC(C)(O)C(=O)[O-])=N1)C1CCCCC1	REAL300013303700	0	46	0.0	-44.14	349.69	8.04	-36.10
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC(C)(O)C(=O)[O-])=[NH+]1	REAL300013303702	0	43	0.0	-43.55	350.46	7.94	-35.61
CN(C1=[NH+]C=CC(NCC(C)(O)C(=O)[O-])=N1)C1CCCCC1	REAL300013303704	0	46	0.0	-49.12	349.23	8.19	-40.93
CC(O)(CNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013303738	0	36	0.0	-50.27	310.04	3.78	-46.49
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300013303754	0	45	0.0	-61.10	347.63	10.96	-50.14
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C1	REAL300013303761	0	48	0.0	-60.22	375.80	11.59	-48.63
CCC1=[NH+]C(C)=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013303767	1	47	0.0	-60.19	359.51	10.45	-49.74
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(N3CCSCC3)=NC=[NH+]2)CC1	REAL300013303772	0	51	0.0	-59.87	388.72	11.41	-48.46
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(N3CCSCC3)=[NH+]C=N2)CC1	REAL300013303772	1	51	0.0	-70.73	397.05	11.34	-59.39
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(NCC3CC3)=[NH+]C=N2)CC1	REAL300013303785	0	50	0.0	-69.24	390.86	11.47	-57.77
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(NCC3CC3)=NC=[NH+]2)CC1	REAL300013303785	1	50	0.0	-57.03	381.65	11.13	-45.90
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(N3CCCC3)=[NH+]C=N2)CC1	REAL300013303797	0	50	0.0	-65.80	381.16	10.79	-55.01
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(N3CCCC3)=NC=[NH+]2)CC1	REAL300013303797	1	50	0.0	-57.92	372.57	10.78	-47.14
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(N3CCCCC3)=[NH+]C=N2)CC1	REAL300013303798	0	53	0.0	-67.44	396.26	11.73	-55.71
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(N3CCCCC3)=NC=[NH+]2)CC1	REAL300013303798	1	53	0.0	-56.60	389.46	11.53	-45.07
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CC1	REAL300013303799	0	57	0.0	-60.88	421.08	8.81	-52.07
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CC1	REAL300013303799	1	57	0.0	-66.66	421.54	8.81	-57.85
CCCC1=[NH+]C2=CC=CC=C2C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C1	REAL300013303801	0	54	0.0	-61.62	418.69	13.25	-48.37
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC=[NH+]C=C2Cl)CC1	REAL300013303810	1	39	0.0	-64.59	313.53	8.64	-55.95
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)CC1	REAL300013303866	1	45	0.0	-63.01	359.08	10.83	-52.18
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300013303868	1	42	0.0	-62.86	337.35	10.24	-52.62
CC(C)(C)C1=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=NC(C(C)(C)C)=[NH+]1	REAL300013303871	1	62	0.0	-54.27	452.66	13.46	-40.81
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(N3CCOCC3)=NC=[NH+]2)CC1	REAL300013303880	0	51	0.0	-58.94	380.55	9.07	-49.87
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(N3CCOCC3)=[NH+]C=N2)CC1	REAL300013303880	1	51	0.0	-68.80	387.31	9.28	-59.52
CC1=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013303888	1	44	0.0	-60.71	338.98	9.72	-50.99
CC1=CC2=[NH+]C(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)=CC(C)=C2C=C1	REAL300013303919	1	51	0.0	-52.05	383.80	12.40	-39.65
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC1	REAL300013303946	1	45	0.0	-61.66	364.32	11.46	-50.20
CN(C)C1=[NH+]C=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013303969	0	46	0.0	-67.64	354.30	11.81	-55.83
CCC1=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013303987	1	47	0.0	-59.35	360.43	10.45	-48.90
O=C([O-])C1=CC=CC=C1C1CCN(C2=C3SC=CC3=[NH+]C=C2)CC1	REAL300013303995	1	42	0.0	-61.43	339.99	9.67	-51.76
CC1=[NH+]C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C2C=CNC2=N1	REAL300013304004	0	45	0.0	-55.41	340.84	9.61	-45.80
CC1=C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C2=CC=CC=C2[NH+]=C1	REAL300013304006	0	48	0.0	-63.27	360.26	11.08	-52.19
CC(O)CNC1=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=NC=[NH+]1	REAL300013304013	0	50	0.0	-65.46	385.47	7.15	-58.31
CC(O)CNC1=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=[NH+]C=N1	REAL300013304013	1	50	0.0	-58.23	382.96	7.04	-51.19
NC1=[NH+]C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=CC(N2C=CC=N2)=N1	REAL300013304020	0	47	0.0	-53.92	369.85	10.73	-43.19
CN(C)C1=CC=[NH+]C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013304023	0	46	0.0	-63.48	350.24	11.24	-52.24
O=C([O-])C1=CC=CC=C1C1CCN(C2=[NH+]C=CC(N3CCOCC3)=N2)CC1	REAL300013304028	0	51	0.0	-70.67	389.73	9.81	-60.86
COC1=CC=CC2=C(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)C=C(C)[NH+]=C12	REAL300013304036	1	52	0.0	-59.19	404.10	11.15	-48.04
CCC1=[NH+]C2=CC=CC=C2C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C1	REAL300013304047	0	51	0.0	-61.48	397.19	12.47	-49.01
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300013304050	1	42	0.0	-62.86	337.35	10.24	-52.62
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013304061	1	54	0.0	-56.22	408.36	14.52	-41.70
CC(C)C1=NC(N(C)C)=NC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=[NH+]1	REAL300013304061	1	54	0.0	-50.89	408.05	14.68	-36.21
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC=[NH+]C(N3CCCCC3)=N2)CC1	REAL300013304070	0	53	0.0	-69.98	398.60	12.28	-57.70
NC(=O)C1=C[NH+]=CC=C1N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013304078	0	43	0.0	-80.33	341.71	6.50	-73.83
CCC1=C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C2=CC=CC=C2[NH+]=C1C	REAL300013304080	0	54	0.0	-65.25	403.88	12.74	-52.51
CC1=CC2=CC=CC=C2C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=[NH+]1	REAL300013304082	0	48	0.0	-50.49	363.69	11.95	-38.54
CC1=[NH+]C=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C1Cl	REAL300013304083	0	42	0.0	-61.52	333.06	9.28	-52.24
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)CC1	REAL300013304092	0	57	0.0	-59.26	419.34	7.98	-51.28
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)CC1	REAL300013304092	1	57	0.0	-65.64	427.50	8.46	-57.18
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C1	REAL300013304094	0	50	0.0	-71.54	403.81	12.39	-59.15
CC1=[NH+]C2=CC=CC=C2C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C1C	REAL300013304100	0	51	0.0	-65.80	383.18	12.08	-53.72
CC1=C2[NH+]=CC(C)=C(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)C2=CC=C1	REAL300013304108	0	51	0.0	-64.23	378.32	12.13	-52.10
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC=[NH+]C=C2Br)CC1	REAL300013304109	1	39	0.0	-64.33	317.39	8.77	-55.56
CN1CCN(C2=CC(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)=[NH+]C=N2)CC1=O	REAL300013304110	0	54	0.0	-66.17	406.05	9.52	-56.65
CN1CCN(C2=CC(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)=NC=[NH+]2)CC1=O	REAL300013304110	1	54	0.0	-64.11	403.06	8.66	-55.45
CCOC(=O)C1=C[NH+]=CC=C1N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013304126	1	48	0.0	-70.92	378.66	11.04	-59.88
CCCCNC1=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=NC(N)=[NH+]1	REAL300013304159	0	54	0.0	-59.40	410.49	10.65	-48.75
CCCCNC1=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=[NH+]C(N)=N1	REAL300013304159	1	54	0.0	-52.46	408.59	10.48	-41.98
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC=[NH+]C=C2Br)CC1	REAL300013304165	1	39	0.0	-64.33	317.39	8.77	-55.56
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300013304180	1	42	0.0	-62.86	337.35	10.24	-52.62
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013304187	0	59	0.0	-53.21	437.99	14.69	-38.52
CCNC1=NC(NC(C)(C)C)=NC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=[NH+]1	REAL300013304187	1	59	0.0	-51.09	439.26	15.26	-35.83
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013304187	1	59	0.0	-52.62	435.51	14.90	-37.72
CC(O)C1CCN(C2=CC(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)=[NH+]C=N2)C1	REAL300013304234	0	57	0.0	-60.35	422.94	8.79	-51.56
CC(O)C1CCN(C2=CC(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)=NC=[NH+]2)C1	REAL300013304234	1	57	0.0	-62.46	421.03	8.59	-53.87
O=C([O-])C1=CC=CC=C1C1CCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CC1	REAL300013304239	1	48	0.0	-55.55	368.44	11.86	-43.69
CCCC1=CC2=C(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013304243	0	54	0.0	-59.72	406.72	12.53	-47.19
CCC1=CC2=C(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013304244	0	51	0.0	-59.68	385.22	11.75	-47.93
CC(C)OC1=CC2=C(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013304247	0	55	0.0	-61.54	412.46	11.17	-50.37
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(NC3CC3)=[NH+]C=N2)CC1	REAL300013304252	0	47	0.0	-67.28	366.81	10.71	-56.57
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(NC3CC3)=NC=[NH+]2)CC1	REAL300013304252	1	47	0.0	-57.07	359.32	10.41	-46.66
CC1=[NH+]C2=CC=CC=C2C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C1	REAL300013304287	0	48	0.0	-57.20	369.39	11.53	-45.67
O=C([O-])C1=CC=CC=C1C1CCN(C2=C3C=CNC3=NC=[NH+]2)CC1	REAL300013304336	0	42	0.0	-55.64	329.51	9.99	-45.65
CCC1=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013304352	1	53	0.0	-61.21	411.03	11.90	-49.31
CC(C)C1=[NH+]C=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013304360	1	47	0.0	-64.35	360.14	10.31	-54.04
O=C([O-])C1=CC=CC=C1C1CCN(C2=[NH+]C=CC(N3CCCC3)=N2)CC1	REAL300013304361	0	50	0.0	-64.53	375.40	11.31	-53.22
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC=[NH+]C3=CC(F)=CC=C32)CC1	REAL300013304377	0	45	0.0	-61.97	354.02	11.03	-50.94
CC1=CC2=C(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)[NH+]=CC=C2C=C1	REAL300013304395	1	48	0.0	-53.62	363.88	12.10	-41.52
CC1=CC=CC2=C(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)[NH+]=CC=C12	REAL300013304396	1	48	0.0	-52.13	360.30	11.91	-40.22
CC1(C)CCCN(C2=CC=[NH+]C(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)=N2)C1	REAL300013304402	0	59	0.0	-69.36	435.09	13.64	-55.72
CC1=CC(C(F)(F)F)=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=[NH+]1	REAL300013304409	0	45	0.0	-60.98	359.21	10.67	-50.31
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CC1	REAL300013304412	1	50	0.0	-67.56	390.89	12.53	-55.03
COC1=CC2=[NH+]C=CC(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)=C2C=C1OC	REAL300013304416	0	53	0.0	-62.90	400.77	9.57	-53.33
COC1=C(N)[NH+]=CN=C1N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013304439	0	44	0.0	-70.39	346.65	7.47	-62.92
COC1=C(N)N=C[NH+]=C1N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013304439	1	44	0.0	-56.41	345.04	7.31	-49.10
O=C([O-])C1=CC=CC=C1C1CCN(C2=C3SC=CC3=[NH+]C=C2)CC1	REAL300013304450	1	42	0.0	-61.43	339.99	9.67	-51.76
COC1=CC=C[NH+]=C1N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013304462	1	43	0.0	-59.22	332.16	8.58	-50.64
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC=[NH+]C(CO)=C2)CC1	REAL300013304463	0	43	0.0	-64.46	330.51	5.69	-58.77
CC1=CC=C2C(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)=CC(C)=[NH+]C2=C1Cl	REAL300013304502	0	51	0.0	-58.57	408.78	12.88	-45.69
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013304506	0	53	0.0	-59.34	408.62	12.24	-47.10
CC1=NC(NC2=CC=CC=C2)=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=[NH+]1	REAL300013304506	1	53	0.0	-54.04	407.45	12.98	-41.06
CC1=[NH+]C=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C1Br	REAL300013304509	0	42	0.0	-61.07	335.48	9.25	-51.82
CN(C)C1=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=NC=[NH+]1	REAL300013304511	0	46	0.0	-64.23	349.35	10.74	-53.49
CN(C)C1=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=[NH+]C=N1	REAL300013304511	1	46	0.0	-55.82	348.86	10.54	-45.28
CN(C1=CC=[NH+]C(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013304512	0	59	0.0	-66.06	437.04	14.71	-51.35
CC1=CC(N(C)C(C)C)=NC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=[NH+]1	REAL300013304513	0	55	0.0	-54.89	411.11	13.15	-41.74
CC1=CC(N2C=CC=N2)=NC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=[NH+]1	REAL300013304516	1	48	0.0	-57.04	378.19	12.46	-44.58
CC1=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013304519	0	55	0.0	-57.70	409.45	13.69	-44.01
CN(C1=[NH+]C=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013304522	0	59	0.0	-66.81	429.78	14.99	-51.82
CC1=CC=CC2=CC=[NH+]C(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)=C12	REAL300013304556	1	48	0.0	-58.84	367.86	13.96	-44.88
CC1=[NH+]C(N)=NC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013304564	0	42	0.0	-61.77	329.72	10.38	-51.39
CC1=NC(N)=NC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=[NH+]1	REAL300013304564	1	42	0.0	-55.63	327.71	10.33	-45.30
O=C([O-])C1=CC=CC=C1C1CCN(C2=CC(CO)=CC=[NH+]2)CC1	REAL300013304580	1	43	0.0	-59.47	331.20	6.57	-52.90
O=C([O-])C1=CC=CC=C1C1CCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)CC1	REAL300013304584	0	49	0.0	-52.33	369.29	11.21	-41.12
CN(C)C1=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=NC(N(C)C)=[NH+]1	REAL300013304590	1	54	0.0	-56.43	402.38	13.12	-43.31
CN(C)C1=CC(N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=[NH+]C(N(C)C)=N1	REAL300013304590	1	54	0.0	-55.68	407.42	13.35	-42.33
CC1=C(Cl)C2=[NH+]C=CC(N3CCC(C4=CC=CC=C4C(=O)[O-])CC3)=C2C=C1	REAL300013304597	1	48	0.0	-55.93	375.40	11.48	-44.45
CC(C)(CNC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013304606	0	46	0.0	-54.75	350.50	5.27	-49.48
CC(C)(CNC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013304606	1	46	0.0	-55.26	348.13	5.12	-50.14
COC1=CC=C(NC2=CC(NCC(C)(C)C(=O)[O-])=[NH+]C=N2)C(OC)=C1	REAL300013304608	1	47	0.0	-56.56	371.10	8.40	-48.16
COC1=CC2=NC(NCC(C)(C)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013304622	0	43	0.0	-47.51	339.38	6.51	-41.00
CC(C)(CNC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013304627	0	37	0.0	-52.33	309.61	8.06	-44.27
CC(C)(C)C1=[NH+]C(C(C)(C)C)=NC(NCC(C)(C)C(=O)[O-])=C1	REAL300013304631	1	51	0.0	-43.87	379.68	9.85	-34.02
CC1=CC(NCC(C)(C)C(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013304638	1	42	0.0	-55.89	349.05	9.95	-45.94
CC(C)(CNC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013304663	1	34	0.0	-50.65	291.75	7.67	-42.98
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC(C)(C)C(=O)[O-])=C1C	REAL300013304683	0	40	0.0	-55.11	331.65	8.87	-46.24
CCOC(=O)C1=C(NCC(C)(C)C(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013304706	1	46	0.0	-63.87	371.24	7.59	-56.28
CCOC(=O)C1=C(NCC(C)(C)C(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013304707	1	49	0.0	-57.70	382.30	10.30	-47.40
CC(C)(CNC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013304722	0	46	0.0	-53.34	348.74	4.44	-48.90
CC(C)(CNC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013304722	1	46	0.0	-54.79	348.95	4.64	-50.15
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC(C)(C)C(=O)[O-])=C1	REAL300013304726	0	39	0.0	-55.75	319.85	8.31	-47.44
CN1CCN(C2=CC(NCC(C)(C)C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013304733	0	43	0.0	-61.84	335.46	5.99	-55.85
CN1CCN(C2=CC(NCC(C)(C)C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013304733	1	43	0.0	-50.17	328.58	5.18	-44.99
CC(C)C1OCCCC1NC1=CC(NCC(C)(C)C(=O)[O-])=[NH+]C=N1	REAL300013304739	0	52	0.0	-52.86	387.75	8.59	-44.27
CC(C)C1OCCCC1NC1=CC(NCC(C)(C)C(=O)[O-])=NC=[NH+]1	REAL300013304739	1	52	0.0	-50.57	387.10	8.76	-41.81
CC(C)(CNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013304751	0	45	0.0	-53.68	359.25	9.92	-43.76
CC(C)(CNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013304757	1	41	0.0	-42.85	339.24	10.00	-32.85
CC(C)NC1=NC(NCCO)=[NH+]C(NCC(C)(C)C(=O)[O-])=N1	REAL300013304770	0	46	0.0	-40.22	364.47	7.76	-32.46
CC(C)NC1=NC(NCCO)=NC(NCC(C)(C)C(=O)[O-])=[NH+]1	REAL300013304770	1	46	0.0	-38.68	364.40	7.71	-30.97
CC(C)NC1=[NH+]C(NCCO)=NC(NCC(C)(C)C(=O)[O-])=N1	REAL300013304770	1	46	0.0	-50.92	363.77	7.71	-43.21
CCNC1=[NH+]C(NCC(C)(C)C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013304777	0	48	0.0	-37.53	366.24	11.97	-25.56
CCNC1=NC(NCC(C)(C)C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013304777	1	48	0.0	-49.23	367.27	12.04	-37.19
CCNC1=NC(NCC(C)(C)C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013304777	1	48	0.0	-38.17	368.29	12.03	-26.14
CN(C1=CC=CC=C1)C1=CC(NCC(C)(C)C(=O)[O-])=[NH+]C=N1	REAL300013304786	1	42	0.0	-55.26	336.30	9.76	-45.50
CC(O)C1CCN(C2=CC(NCC(C)(C)C(=O)[O-])=[NH+]C=N2)C1	REAL300013304801	0	46	0.0	-53.57	347.33	5.60	-47.97
CC(O)C1CCN(C2=CC(NCC(C)(C)C(=O)[O-])=NC=[NH+]2)C1	REAL300013304801	1	46	0.0	-54.10	348.84	4.92	-49.18
CC(C)OC1=CC2=C(NCC(C)(C)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013304804	0	44	0.0	-52.41	339.64	7.92	-44.49
CCOC(=O)C1=C(C)C2=C(NCC(C)(C)C(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013304836	1	53	0.0	-57.00	422.74	10.27	-46.73
C[NH+](C)CCNS(=O)(=O)C1=CC=C(NCC(C)(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300013304840	0	50	0.0	-72.65	410.77	5.35	-67.30
CCC1=CC(NCC(C)(C)C(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013304888	1	45	0.0	-54.43	371.07	10.69	-43.74
C[NH+](C)CC1=NC(NCC(C)(C)C(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013304905	1	51	0.0	-55.61	402.01	11.44	-44.17
CC(C)(CNC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013304906	1	34	0.0	-52.38	291.77	7.68	-44.70
CC(C)(CNC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013304912	1	34	0.0	-46.93	289.70	7.75	-39.18
CCOC1=CC2=[NH+]C=CC(NCC(C)(C)C(=O)[O-])=C2C=C1OCC	REAL300013304919	0	48	0.0	-52.63	373.19	8.15	-44.48
CCC1=CC(NCC(C)(C)C(=O)[O-])=NC(C2=CC=NC=C2)=[NH+]1	REAL300013304920	1	42	0.0	-48.93	337.47	8.24	-40.69
COC1=CC2=[NH+]C=CC(NCC(C)(C)C(=O)[O-])=C2C=C1Br	REAL300013304948	0	38	0.0	-53.22	320.24	7.05	-46.17
CC(C)(CNC1=NC(N2CCCC(C)(C)C2)=CC=[NH+]1)C(=O)[O-]	REAL300013304955	0	48	0.0	-45.62	354.70	10.09	-35.53
CC1=CC2=C(NCC(C)(C)C(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013304959	0	47	0.0	-51.25	359.90	10.20	-41.05
COC1=CC2=[NH+]C=CC(NCC(C)(C)C(=O)[O-])=C2C=C1OC	REAL300013304963	0	42	0.0	-53.11	328.90	6.32	-46.79
CC(C)(CNC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013304977	0	43	0.0	-47.76	340.91	9.88	-37.88
CC1=CC=C2C(NCC(C)(C)C(=O)[O-])=CC(C)=[NH+]C2=C1Cl	REAL300013304987	0	40	0.0	-44.11	324.82	8.80	-35.31
CC1=NC(NCC(C)(C)C(=O)[O-])=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013304990	0	42	0.0	-46.00	334.97	9.06	-36.94
CC1=[NH+]C(NCC(C)(C)C(=O)[O-])=CC(NC2=CC=CC=C2)=N1	REAL300013304990	1	42	0.0	-48.96	336.04	9.44	-39.52
CN(C1=CC=[NH+]C(NCC(C)(C)C(=O)[O-])=N1)C1CCCCC1	REAL300013304994	0	48	0.0	-44.08	357.03	11.17	-32.91
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC(C)(C)C(=O)[O-])=[NH+]1	REAL300013304996	0	45	0.0	-43.36	357.80	11.07	-32.29
CN(C1=[NH+]C=CC(NCC(C)(C)C(=O)[O-])=N1)C1CCCCC1	REAL300013304998	0	48	0.0	-49.37	356.57	11.31	-38.06
CC1=CC(NCC(C)(C)C(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013305000	1	45	0.0	-47.38	358.33	11.97	-35.41
CC(C)(CNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013305031	0	38	0.0	-51.70	316.39	6.88	-44.82
CC1=[NH+]C2=CC=C(F)C=C2C(NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300013305042	0	46	0.0	-42.45	359.90	9.77	-32.68
CC(C)(C)CCC(NC1=CC(N2CCSCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013305046	0	49	0.0	-41.74	379.24	9.93	-31.81
CC(C)(C)CCC(NC1=CC(N2CCSCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013305046	1	49	0.0	-44.86	377.51	9.54	-35.32
CC(C)(C)CCC(NC1=CC(NCC2CC2)=NC=[NH+]1)C(=O)[O-]	REAL300013305055	0	48	0.0	-40.59	371.90	9.71	-30.88
CC(C)(C)CCC(NC1=CC(NCC2CC2)=[NH+]C=N1)C(=O)[O-]	REAL300013305055	1	48	0.0	-45.41	371.34	9.68	-35.73
CC(C)(C)CCC(NC1=CC(N2CCCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013305064	0	48	0.0	-40.48	361.45	9.41	-31.07
CC(C)(C)CCC(NC1=CC(N2CCCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013305064	1	48	0.0	-43.58	361.65	8.98	-34.60
CC(C)(C)CCC(NC1=CC(N2CCCCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013305065	0	51	0.0	-42.08	379.15	10.08	-32.00
CC(C)(C)CCC(NC1=CC(N2CCCCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013305065	1	51	0.0	-45.36	376.76	9.92	-35.44
CC(C)(C)CCC(NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013305066	0	55	0.0	-45.12	410.79	7.36	-37.76
CC(C)(C)CCC(NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013305066	1	55	0.0	-46.76	409.19	7.17	-39.59
COC1=CC2=NC(NC(CCC(C)(C)C)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013305082	0	52	0.0	-37.60	400.63	8.65	-28.95
CC(C)(C)CCC(NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013305089	0	46	0.0	-42.21	369.94	10.17	-32.04
CC(C)(C)CCC(NC1=CC=[NH+]C2=CC=C(Cl)C=C12)C(=O)[O-]	REAL300013305100	1	43	0.0	-44.41	348.91	9.65	-34.76
CC(C)(C)CCC(NC1=CC(N2CCOCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013305108	0	49	0.0	-41.24	370.75	7.65	-33.59
CC(C)(C)CCC(NC1=CC(N2CCOCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013305108	1	49	0.0	-46.53	368.61	7.44	-39.09
CC1=CC2=[NH+]C(NC(CCC(C)(C)C)C(=O)[O-])=CC(C)=C2C=C1	REAL300013305126	1	49	0.0	-34.81	374.00	11.06	-23.75
CC(C)(C)CCC(NC1=CC=[NH+]C2=CC(Cl)=CC=C12)C(=O)[O-]	REAL300013305142	1	43	0.0	-41.56	348.89	9.65	-31.91
CC(C)(C)CCC(NC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013305151	1	43	0.0	-41.49	353.45	9.75	-31.74
CC(C)(C)CCC(NC1=CC(N2C=CC=N2)=NC(N)=[NH+]1)C(=O)[O-]	REAL300013305182	1	45	0.0	-44.94	359.62	9.32	-35.62
CC(C)(C)CCC(NC1=[NH+]C=CC(N2CCOCC2)=N1)C(=O)[O-]	REAL300013305183	0	49	0.0	-36.84	370.36	8.39	-28.45
COC1=CC=CC2=C(NC(CCC(C)(C)C)C(=O)[O-])C=C(C)[NH+]=C12	REAL300013305186	1	50	0.0	-37.54	381.83	9.14	-28.40
CC(C)C1=[NH+]C(NC(CCC(C)(C)C)C(=O)[O-])=NC(N(C)C)=N1	REAL300013305205	1	52	0.0	-29.13	396.30	13.52	-15.61
CC(C)C1=NC(NC(CCC(C)(C)C)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013305205	1	52	0.0	-43.18	396.32	13.54	-29.64
CC(C)(C)CCC(NC1=CC=[NH+]C(N2CCCCC2)=N1)C(=O)[O-]	REAL300013305211	0	51	0.0	-41.19	379.08	10.48	-30.71
CC(C)(C)CCC(NC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013305224	0	55	0.0	-42.90	409.84	6.50	-36.40
CC(C)(C)CCC(NC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013305224	1	55	0.0	-47.56	410.62	6.70	-40.86
CC(C)(C)CCC(NC1=CC=[NH+]C=C1Br)C(=O)[O-]	REAL300013305239	1	37	0.0	-46.53	307.73	7.67	-38.86
CN1CCN(C2=CC(NC(CCC(C)(C)C)C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013305240	0	52	0.0	-51.00	396.55	8.05	-42.95
CN1CCN(C2=CC(NC(CCC(C)(C)C)C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013305240	1	52	0.0	-43.68	389.67	7.23	-36.45
CC(C)(C)CCC(NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013305260	0	54	0.0	-46.51	420.95	11.98	-34.53
CCCCNC1=CC(NC(CCC(C)(C)C)C(=O)[O-])=[NH+]C(N)=N1	REAL300013305271	0	52	0.0	-37.23	398.59	9.02	-28.21
CCCCNC1=CC(NC(CCC(C)(C)C)C(=O)[O-])=NC(N)=[NH+]1	REAL300013305271	1	52	0.0	-41.76	397.83	9.05	-32.71
CC(C)(C)CCC(NC1=CC=[NH+]C=C1Br)C(=O)[O-]	REAL300013305276	1	37	0.0	-46.53	307.73	7.67	-38.86
CC(C)NC1=NC(NCCO)=[NH+]C(NC(CCC(C)(C)C)C(=O)[O-])=N1	REAL300013305280	0	55	0.0	-28.59	425.53	9.86	-18.73
CC(C)NC1=NC(NCCO)=NC(NC(CCC(C)(C)C)C(=O)[O-])=[NH+]1	REAL300013305280	1	55	0.0	-30.37	424.88	9.85	-20.52
CC(C)NC1=[NH+]C(NCCO)=NC(NC(CCC(C)(C)C)C(=O)[O-])=N1	REAL300013305280	1	55	0.0	-45.24	425.33	9.87	-35.37
CCNC1=[NH+]C(NC(CCC(C)(C)C)C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013305291	0	57	0.0	-28.00	426.72	14.07	-13.93
CCNC1=NC(NC(CCC(C)(C)C)C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013305291	1	57	0.0	-27.51	424.85	13.78	-13.73
CCNC1=NC(NC(CCC(C)(C)C)C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013305291	1	57	0.0	-41.09	424.99	13.81	-27.28
CN(C1=CC=CC=C1)C1=CC(NC(CCC(C)(C)C)C(=O)[O-])=[NH+]C=N1	REAL300013305304	1	51	0.0	-44.70	397.14	11.89	-32.81
CC(C)(C)CCC(NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12)C(=O)[O-]	REAL300013305323	1	43	0.0	-43.36	354.44	9.74	-33.62
CC(O)C1CCN(C2=CC(NC(CCC(C)(C)C)C(=O)[O-])=[NH+]C=N2)C1	REAL300013305324	0	55	0.0	-44.93	409.01	7.67	-37.26
CC(O)C1CCN(C2=CC(NC(CCC(C)(C)C)C(=O)[O-])=NC=[NH+]2)C1	REAL300013305324	1	55	0.0	-48.30	409.66	7.05	-41.25
CC(C)(C)CCC(NC1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2)C(=O)[O-]	REAL300013305326	1	46	0.0	-34.30	358.30	11.15	-23.15
CCCC1=CC2=C(NC(CCC(C)(C)C)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013305328	0	52	0.0	-42.10	395.76	11.37	-30.73
CCC1=CC2=C(NC(CCC(C)(C)C)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013305329	0	49	0.0	-42.74	375.04	10.56	-32.18
CC(C)OC1=CC2=C(NC(CCC(C)(C)C)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013305332	0	53	0.0	-44.84	400.53	10.02	-34.82
CC1=CC(NC(CCC(C)(C)C)C(=O)[O-])=NC(C2=CC=CN=C2)=[NH+]1	REAL300013305414	1	48	0.0	-40.42	377.29	9.59	-30.83
CC(C)(C)CCC(NC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013305434	1	43	0.0	-44.19	353.46	9.76	-34.43
CC(C)(C)CCC(NC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013305438	1	43	0.0	-37.79	350.58	9.88	-27.91
CCOC1=CC2=[NH+]C=CC(NC(CCC(C)(C)C)C(=O)[O-])=C2C=C1OCC	REAL300013305449	0	57	0.0	-44.06	434.04	10.27	-33.79
CC(C)(C)CCC(NC1=[NH+]C=CC(N2CCCC2)=N1)C(=O)[O-]	REAL300013305459	0	48	0.0	-35.63	363.19	10.11	-25.52
CC(C)(C)CCC(NC1=CC=[NH+]C2=CC(F)=CC=C12)C(=O)[O-]	REAL300013305477	0	43	0.0	-41.24	337.81	9.24	-32.00
COC1=CC2=[NH+]C=CC(NC(CCC(C)(C)C)C(=O)[O-])=C2C=C1Br	REAL300013305488	0	47	0.0	-44.42	381.93	9.11	-35.31
CC(C)(C)CCC(NC1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)C(=O)[O-]	REAL300013305497	0	57	0.0	-34.19	415.73	12.21	-21.98
CC1=CC(C(F)(F)F)=CC(NC(CCC(C)(C)C)C(=O)[O-])=[NH+]1	REAL300013305502	1	43	0.0	-42.14	348.96	9.39	-32.75
COC1=CC2=[NH+]C=CC(NC(CCC(C)(C)C)C(=O)[O-])=C2C=C1OC	REAL300013305506	0	51	0.0	-44.83	390.59	8.38	-36.45
CC(C)(C)CCC(NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013305529	0	52	0.0	-37.09	401.40	11.99	-25.10
CC1=[NH+]C(NC2=CC=CC=C2)=CC(NC(CCC(C)(C)C)C(=O)[O-])=N1	REAL300013305557	1	51	0.0	-38.39	395.83	11.19	-27.20
CC1=NC(NC2=CC=CC=C2)=CC(NC(CCC(C)(C)C)C(=O)[O-])=[NH+]1	REAL300013305557	1	51	0.0	-38.67	397.50	11.58	-27.09
CC1=[NH+]C=CC(NC(CCC(C)(C)C)C(=O)[O-])=C1Br	REAL300013305559	0	40	0.0	-44.19	325.90	8.15	-36.04
CN(C1=CC=[NH+]C(NC(CCC(C)(C)C)C(=O)[O-])=N1)C1CCCCC1	REAL300013305561	0	57	0.0	-34.36	418.29	13.31	-21.05
CC1=CC(N(C)C(C)C)=NC(NC(CCC(C)(C)C)C(=O)[O-])=[NH+]1	REAL300013305562	0	53	0.0	-32.64	397.35	12.07	-20.57
CC(C)(C)CCC(NC1=[NH+]C=CC(N2C=CN=C2)=N1)C(=O)[O-]	REAL300013305563	1	43	0.0	-42.07	342.45	11.89	-30.18
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC(CCC(C)(C)C)C(=O)[O-])=[NH+]1	REAL300013305566	0	54	0.0	-32.86	419.06	13.22	-19.64
CC1=CC(N2C=CC=N2)=NC(NC(CCC(C)(C)C)C(=O)[O-])=[NH+]1	REAL300013305567	1	46	0.0	-32.83	366.48	11.26	-21.57
CC1=CC(NC(CCC(C)(C)C)C(=O)[O-])=NC(N(C)C(C)C)=[NH+]1	REAL300013305570	0	53	0.0	-39.93	397.54	12.05	-27.88
CN(C1=[NH+]C=CC(NC(CCC(C)(C)C)C(=O)[O-])=N1)C1CCCCC1	REAL300013305573	0	57	0.0	-42.71	417.66	13.36	-29.35
CC(C)(C)CCC(NC1=C2C=CNC2=NC(C2CC2)=[NH+]1)C(=O)[O-]	REAL300013305604	1	47	0.0	-32.05	364.68	10.48	-21.57
CC(C)(C)CCC(NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013305605	0	47	0.0	-42.24	378.08	8.94	-33.30
CN(C)C1=CC(NC(CCC(C)(C)C)C(=O)[O-])=[NH+]C(N(C)C)=N1	REAL300013305610	0	52	0.0	-35.49	391.23	11.55	-23.94
CN(C)C1=CC(NC(CCC(C)(C)C)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013305610	1	52	0.0	-40.92	391.90	11.46	-29.46
CC1=C(Cl)C2=[NH+]C=CC(NC(CCC(C)(C)C)C(=O)[O-])=C2C=C1	REAL300013305616	1	46	0.0	-37.38	364.44	10.32	-27.06
CC(CN(C)C1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013305625	0	46	0.0	-44.93	343.86	6.40	-38.53
CC(CN(C)C1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013305625	1	46	0.0	-55.68	346.03	6.31	-49.37
COC1=CC2=NC(N(C)CC(C)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013305641	0	43	0.0	-59.30	335.88	7.47	-51.83
CC(CN(C)C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300013305646	0	37	0.0	-54.12	310.65	8.26	-45.86
CC(CN(C)C1=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N1)C(=O)[O-]	REAL300013305650	1	51	0.0	-42.14	371.27	10.50	-31.64
CC1=CC(N(C)CC(C)C(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013305657	1	42	0.0	-53.82	344.00	10.71	-43.11
CC(CN(C)C1=CC=[NH+]C2=CC(Br)=CC=C21)C(=O)[O-]	REAL300013305682	1	34	0.0	-52.66	294.02	7.91	-44.75
CC1=[NH+]C2=CC=C(Br)C=C2C(N(C)CC(C)C(=O)[O-])=C1C	REAL300013305702	0	40	0.0	-53.77	320.52	8.91	-44.86
CCOC(=O)C1=C(N(C)CC(C)C(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013305725	1	46	0.0	-60.49	361.75	7.83	-52.66
CCOC(=O)C1=C(N(C)CC(C)C(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013305726	1	49	0.0	-57.11	370.51	10.58	-46.53
CC(CN(C)C1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013305741	0	46	0.0	-44.91	345.60	5.60	-39.31
CC(CN(C)C1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013305741	1	46	0.0	-52.24	346.56	5.83	-46.41
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N(C)CC(C)C(=O)[O-])=C1	REAL300013305745	0	39	0.0	-62.55	324.16	8.72	-53.83
CC(CN(C)C1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013305752	0	43	0.0	-48.63	331.51	7.09	-41.54
CC(CN(C)C1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013305752	1	43	0.0	-62.73	330.20	6.98	-55.75
CC(C)C1OCCCC1NC1=[NH+]C=NC(N(C)CC(C)C(=O)[O-])=C1	REAL300013305758	0	52	0.0	-49.63	377.13	9.37	-40.26
CC(C)C1OCCCC1NC1=NC=[NH+]C(N(C)CC(C)C(=O)[O-])=C1	REAL300013305758	1	52	0.0	-42.74	385.28	9.73	-33.01
CC(CN(C)C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21)C(=O)[O-]	REAL300013305770	0	45	0.0	-55.79	362.83	10.31	-45.48
CC(CN(C)C1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013305776	1	41	0.0	-44.30	342.16	10.39	-33.91
CC(C)NC1=[NH+]C(NCCO)=NC(N(C)CC(C)C(=O)[O-])=N1	REAL300013305789	0	46	0.0	-49.19	362.34	8.67	-40.52
CC(C)NC1=NC(NCCO)=[NH+]C(N(C)CC(C)C(=O)[O-])=N1	REAL300013305789	1	46	0.0	-47.18	362.56	8.67	-38.51
CC(C)NC1=NC(NCCO)=NC(N(C)CC(C)C(=O)[O-])=[NH+]1	REAL300013305789	1	46	0.0	-46.32	361.05	8.62	-37.70
CCNC1=[NH+]C(NC(C)(C)C)=NC(N(C)CC(C)C(=O)[O-])=N1	REAL300013305796	0	48	0.0	-47.28	365.03	12.99	-34.29
CCNC1=NC(NC(C)(C)C)=NC(N(C)CC(C)C(=O)[O-])=[NH+]1	REAL300013305796	1	48	0.0	-45.40	362.86	12.87	-32.53
CCNC1=NC(NC(C)(C)C)=[NH+]C(N(C)CC(C)C(=O)[O-])=N1	REAL300013305796	1	48	0.0	-43.05	361.10	12.56	-30.49
CC(O)C1CCN(C2=NC=[NH+]C(N(C)CC(C)C(=O)[O-])=C2)C1	REAL300013305820	0	46	0.0	-44.17	344.78	6.76	-37.41
CC(O)C1CCN(C2=[NH+]C=NC(N(C)CC(C)C(=O)[O-])=C2)C1	REAL300013305820	1	46	0.0	-53.99	345.83	6.11	-47.88
CC(C)OC1=CC2=C(N(C)CC(C)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013305823	0	44	0.0	-58.63	343.11	8.30	-50.33
CCOC(=O)C1=C(C)C2=C(N(C)CC(C)C(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013305855	1	53	0.0	-62.68	424.57	10.83	-51.85
CC(CN(C)C1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013305859	0	50	0.0	-70.36	408.35	6.19	-64.17
CC(CN(C)C1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013305924	1	51	0.0	-57.01	395.70	12.34	-44.67
CC(CN(C)C1=CC=[NH+]C2=CC=C(Br)C=C21)C(=O)[O-]	REAL300013305925	1	34	0.0	-58.78	296.08	8.10	-50.68
CCOC1=CC2=[NH+]C=CC(N(C)CC(C)C(=O)[O-])=C2C=C1OCC	REAL300013305938	0	48	0.0	-57.07	376.12	8.54	-48.53
CCC1=CC(N(C)CC(C)C(=O)[O-])=NC(C2=CC=NC=C2)=[NH+]1	REAL300013305939	1	42	0.0	-46.18	336.26	9.44	-36.74
COC1=CC2=[NH+]C=CC(N(C)CC(C)C(=O)[O-])=C2C=C1Br	REAL300013305967	0	38	0.0	-58.44	323.75	7.44	-51.00
CC(CN(C)C1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)C(=O)[O-]	REAL300013305974	0	48	0.0	-56.22	349.18	10.93	-45.29
CC1=CC2=C(N(C)CC(C)C(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013305978	0	47	0.0	-51.03	351.96	10.32	-40.71
COC1=CC2=[NH+]C=CC(N(C)CC(C)C(=O)[O-])=C2C=C1OC	REAL300013305982	0	42	0.0	-57.32	332.41	6.70	-50.62
CC(CN(C)C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013305996	0	43	0.0	-59.14	336.00	10.74	-48.40
CC1=CC=C2C(N(C)CC(C)C(=O)[O-])=CC(C)=[NH+]C2=C1Cl	REAL300013306006	0	40	0.0	-46.97	329.41	9.20	-37.77
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N(C)CC(C)C(=O)[O-])=N1	REAL300013306009	0	42	0.0	-49.35	332.87	10.23	-39.12
CC1=NC(NC2=CC=CC=C2)=CC(N(C)CC(C)C(=O)[O-])=[NH+]1	REAL300013306009	1	42	0.0	-41.44	333.48	10.59	-30.85
CC(CN(C)C1=[NH+]C=CC(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013306013	0	48	0.0	-53.38	354.49	12.13	-41.25
CC1=CC(N(C)C2=CC=CC=C2)=NC(N(C)CC(C)C(=O)[O-])=[NH+]1	REAL300013306015	0	45	0.0	-53.34	354.36	12.01	-41.33
CC(CN(C)C1=CC=[NH+]C(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013306017	0	48	0.0	-48.07	350.93	12.08	-35.99
CC1=CC(N(C)CC(C)C(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013306019	1	45	0.0	-44.27	355.93	13.15	-31.12
CC(CN(C)C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21)C(=O)[O-]	REAL300013306050	0	38	0.0	-53.71	318.63	7.11	-46.60
CC[NH+]1CCN(CC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013306062	0	52	0.0	-78.38	403.90	8.77	-69.61
CCN1CC[NH+](CC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013306062	1	52	0.0	-78.89	403.76	8.75	-70.14
CC[NH+]1CCN(CC2=CC=C(CNC3=NC=CC=C3C(=O)[O-])C=C2)CC1	REAL300013306063	0	52	0.0	-69.20	399.94	9.31	-59.89
CCN1CC[NH+](CC2=CC=C(CNC3=NC=CC=C3C(=O)[O-])C=C2)CC1	REAL300013306063	1	52	0.0	-66.84	399.80	9.29	-57.55
CC[NH+]1CCN(CC2=CC=C(CNC3=NC=C(C(=O)[O-])C=C3Cl)C=C2)CC1	REAL300013306064	0	52	0.0	-69.02	418.90	9.60	-59.42
CCN1CC[NH+](CC2=CC=C(CNC3=NC=C(C(=O)[O-])C=C3Cl)C=C2)CC1	REAL300013306064	1	52	0.0	-71.88	419.27	9.62	-62.26
CC[NH+]1CCN(CC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013306065	0	52	0.0	-78.38	403.90	8.77	-69.61
CCN1CC[NH+](CC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013306065	1	52	0.0	-78.89	403.76	8.75	-70.14
CC[NH+]1CCN(CC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013306066	0	52	0.0	-78.38	403.90	8.77	-69.61
CCN1CC[NH+](CC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013306066	1	52	0.0	-78.89	403.76	8.75	-70.14
CC[NH+]1CCN(CC2=CC=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C=C2)CC1	REAL300013306067	0	55	0.0	-100.12	432.58	9.97	-90.15
CCN1CC[NH+](CC2=CC=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C=C2)CC1	REAL300013306067	1	55	0.0	-98.60	432.45	9.95	-88.65
CC[NH+](CC)CCOC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013306068	0	50	0.0	-71.06	391.63	9.83	-61.23
CC[NH+](CC)CCOC1=CC=CC=C1CNC1=NC=CC=C1C(=O)[O-]	REAL300013306069	0	50	0.0	-58.66	383.33	10.10	-48.56
CC[NH+](CC)CCOC1=CC=CC=C1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013306070	0	50	0.0	-62.53	407.11	10.70	-51.83
CC[NH+](CC)CCOC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013306071	0	50	0.0	-71.06	391.63	9.83	-61.23
CC[NH+](CC)CCOC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013306072	0	50	0.0	-71.06	391.63	9.83	-61.23
CC[NH+](CC)CCOC1=CC=CC=C1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013306073	0	53	0.0	-94.62	416.41	10.75	-83.87
C[NH+]1CCN(C(=O)C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013306096	1	48	0.0	-83.77	383.05	8.51	-75.26
C[NH+]1CCN(C(=O)C2=CC=C(CNC3=NC=C(C(=O)[O-])C=C3Cl)C=C2)CC1	REAL300013306098	1	48	0.0	-78.93	398.54	9.38	-69.55
C[NH+]1CCN(C(=O)C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013306099	1	48	0.0	-83.77	383.05	8.51	-75.26
C[NH+]1CCN(C(=O)C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013306100	1	48	0.0	-83.77	383.05	8.51	-75.26
C[NH+]1CCN(C(=O)C2=CC=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C=C2)CC1	REAL300013306101	1	51	0.0	-104.09	411.71	9.71	-94.38
CC(C)[N@H+](C)CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013306121	0	46	0.0	-71.03	355.73	9.97	-61.06
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013306121	1	46	0.0	-63.22	351.52	10.34	-52.88
CC(C)[N@H+](C)CC1=CC=CC=C1CNC1=NC=CC=C1C(=O)[O-]	REAL300013306122	0	46	0.0	-51.94	351.72	10.52	-41.42
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC1=NC=CC=C1C(=O)[O-]	REAL300013306122	1	46	0.0	-41.72	347.80	10.88	-30.84
CC(C)[N@H+](C)CC1=CC=CC=C1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013306123	0	46	0.0	-60.49	371.18	10.84	-49.65
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013306123	1	46	0.0	-58.12	366.96	11.16	-46.96
CC(C)[N@H+](C)CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013306124	0	46	0.0	-71.03	355.73	9.97	-61.06
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013306124	1	46	0.0	-63.22	351.52	10.34	-52.88
CC(C)[N@H+](C)CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013306125	0	46	0.0	-71.03	355.73	9.97	-61.06
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013306125	1	46	0.0	-63.22	351.52	10.34	-52.88
CC(C)[N@H+](C)CC1=CC=CC=C1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013306126	0	49	0.0	-95.82	384.36	11.17	-84.65
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013306126	1	49	0.0	-87.87	380.78	11.55	-76.32
CC1CN(C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=[NH+]2)CCO1	REAL300013306129	1	44	0.0	-72.73	352.69	5.80	-66.93
CC1CN(C2=CC=C(CNC3=NC=CC=C3C(=O)[O-])C=[NH+]2)CCO1	REAL300013306130	1	44	0.0	-49.86	348.70	6.34	-43.52
CC1CN(C2=CC=C(CNC3=NC=C(C(=O)[O-])C=C3Cl)C=[NH+]2)CCO1	REAL300013306131	1	44	0.0	-64.15	368.19	6.67	-57.48
CC1CN(C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=[NH+]2)CCO1	REAL300013306132	1	44	0.0	-72.73	352.69	5.80	-66.93
CC1CN(C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=[NH+]2)CCO1	REAL300013306133	1	44	0.0	-72.73	352.69	5.80	-66.93
CC1CN(C2=CC=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C=[NH+]2)CCO1	REAL300013306134	1	47	0.0	-97.22	381.36	7.00	-90.22
CC1CCC[N@H+](CCCCNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013306135	0	46	0.0	-68.03	368.20	9.92	-58.11
CC1CCC[N@@H+](CCCCNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013306135	1	46	0.0	-68.03	368.21	9.92	-58.11
CC1CCC[N@H+](CCCCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013306136	0	49	0.0	-101.71	381.37	10.27	-91.44
CC1CCC[N@@H+](CCCCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013306136	1	49	0.0	-101.01	374.64	10.28	-90.73
CC1=CC=C(CNC(=O)C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1F	REAL300013306168	0	49	0.0	-62.25	396.40	9.72	-52.53
CC1CC(C)C[NH+](CCCNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013306171	0	46	0.0	-67.65	360.34	9.70	-57.95
CC1CC(C)C[NH+](CCCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013306172	0	49	0.0	-102.78	380.71	10.09	-92.69
CN(CC1=CC(Br)=CS1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013306174	0	29	0.0	-49.56	277.65	8.45	-41.11
CC(C)OCCCNC(=O)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013306180	0	52	0.0	-61.70	407.07	7.55	-54.15
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC(=O)N2CCCC2)CC1	REAL300013306203	0	46	0.0	-50.75	352.48	9.14	-41.61
O=C([O-])C1=CC=CC(NCC2=CC=C(N3CCCCC3)[NH+]=C2)=N1	REAL300013306208	1	43	0.0	-69.77	340.41	7.54	-62.23
O=C([O-])C1=CC=CN=C1NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013306209	1	43	0.0	-47.29	336.45	8.08	-39.21
O=C([O-])C1=CN=C(NCC2=CC=C(N3CCCCC3)[NH+]=C2)C(Cl)=C1	REAL300013306210	1	43	0.0	-61.45	355.91	8.41	-53.04
O=C([O-])C1=CC=CC(NCC2=CC=C(N3CCCCC3)[NH+]=C2)=N1	REAL300013306211	1	43	0.0	-69.77	340.41	7.54	-62.23
O=C([O-])C1=CC=CC(NCC2=CC=C(N3CCCCC3)[NH+]=C2)=N1	REAL300013306212	1	43	0.0	-69.77	340.41	7.54	-62.23
O=C([O-])C1=CC2=C(NCC3=CC=C(N4CCCCC4)[NH+]=C3)N=CNC2=N1	REAL300013306213	1	46	0.0	-94.09	369.09	8.74	-85.35
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COC1=CC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=CC=C1F	REAL300013306753	0	42	0.0	-51.98	334.41	7.26	-44.72
COC1=CC(C2(F)CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=CC(OC)=C1	REAL300013306759	0	47	0.0	-48.85	370.17	9.03	-39.82
CS(=O)(=O)C1=CC=C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CCC2=C1	REAL300013306797	0	42	0.0	-59.58	331.11	6.12	-53.46
O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CC=C4OCOC4=C3)CC2)=N1	REAL300013306805	1	44	0.0	-77.70	350.56	7.78	-69.92
O=C([O-])C1=CC=CN=C1N1CC[NH+](CC2=CC=C3OCOC3=C2)CC1	REAL300013306806	1	44	0.0	-62.18	350.92	8.65	-53.53
O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CC=C4OCOC4=C3)CC2)=N1	REAL300013306808	1	44	0.0	-77.70	350.56	7.78	-69.92
O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CC=C4OCOC4=C3)CC2)=N1	REAL300013306809	1	44	0.0	-77.70	350.56	7.78	-69.92
O=C([O-])C1=CC2=C(N3CC[NH+](CC4=CC=C5OCOC5=C4)CC3)N=CNC2=N1	REAL300013306810	1	47	0.0	-112.61	375.57	9.62	-102.99
CC1=CC=CC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1C	REAL300013306818	0	44	0.0	-50.28	339.55	9.82	-40.46
CC1=CC=C(C)C(S(=O)(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1	REAL300013306824	0	47	0.0	-49.39	370.49	7.68	-41.71
O=C([O-])C1=CC=C[NH+]=C1N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1	REAL300013306838	0	41	0.0	-59.15	351.78	6.91	-52.24
CN(CC1=CC=C(OC(F)F)C=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013306842	0	36	0.0	-56.68	305.07	8.27	-48.41
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)CC2=CC=C(Cl)C=C2)CC1	REAL300013306869	0	43	0.0	-54.12	363.13	10.16	-43.96
O=C([O-])C1=CC2=C(NC3CC[N@@H+]4CCCC4C3)N=CNC2=N1	REAL300013306887	0	41	0.0	-97.86	318.61	8.80	-89.06
O=C([O-])C1=CC2=C(NC3CC[N@H+]4CCCC4C3)N=CNC2=N1	REAL300013306887	1	41	0.0	-97.85	318.65	8.81	-89.04
C[NH+](C)CC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013306892	0	43	0.0	-100.65	329.54	9.48	-91.17
O=C([O-])C1=CN=C(N2CCC([NH+]3CCCC3)CC2)C(Cl)=C1	REAL300013306893	0	41	0.0	-64.92	326.09	8.52	-56.40
O=C([O-])C1=CC2=C(N3CCC([NH+]4CCCC4)CC3)N=CNC2=N1	REAL300013306894	0	44	0.0	-99.20	328.58	9.40	-89.80
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300013306896	0	41	0.0	-49.45	332.33	4.96	-44.49
O=C([O-])C1=CN=C(N2CCCC([NH+]3CCCC3)C2)C(Cl)=C1	REAL300013306901	0	41	0.0	-59.86	327.55	8.57	-51.29
O=C([O-])C1=CC2=C(N3CCCC([NH+]4CCCC4)C3)N=CNC2=N1	REAL300013306902	0	44	0.0	-101.77	334.65	9.67	-92.10
CN(CCCC1=CC(C2=CC=C(F)C=C2)=NN1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013306904	0	45	0.0	-55.55	375.15	10.28	-45.27
O=C([O-])C1=CC=CC(NCC2=CC=[NH+]C(N3CCCCC3)=C2)=N1	REAL300013306921	1	43	0.0	-72.07	340.74	7.72	-64.35
O=C([O-])C1=CC=CN=C1NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013306922	1	43	0.0	-52.10	336.74	8.27	-43.83
O=C([O-])C1=CN=C(NCC2=CC=[NH+]C(N3CCCCC3)=C2)C(Cl)=C1	REAL300013306923	1	43	0.0	-63.20	356.24	8.58	-54.62
O=C([O-])C1=CC=CC(NCC2=CC=[NH+]C(N3CCCCC3)=C2)=N1	REAL300013306924	1	43	0.0	-72.07	340.74	7.72	-64.35
O=C([O-])C1=CC=CC(NCC2=CC=[NH+]C(N3CCCCC3)=C2)=N1	REAL300013306925	1	43	0.0	-72.07	340.74	7.72	-64.35
O=C([O-])C1=CC2=C(NCC3=CC=[NH+]C(N4CCCCC4)=C3)N=CNC2=N1	REAL300013306926	1	46	0.0	-95.76	369.35	8.92	-86.84
O=C([O-])C1=CC=CC(NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)=N1	REAL300013306939	1	47	0.0	-74.32	379.00	9.84	-64.48
O=C([O-])C1=CC=CN=C1NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1	REAL300013306940	1	47	0.0	-51.98	375.05	10.37	-41.61
O=C([O-])C1=CN=C(NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)C(Cl)=C1	REAL300013306941	1	47	0.0	-65.23	394.51	10.71	-54.52
O=C([O-])C1=CC=CC(NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)=N1	REAL300013306942	1	47	0.0	-74.32	379.00	9.84	-64.48
O=C([O-])C1=CC=CC(NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)=N1	REAL300013306943	1	47	0.0	-74.32	379.00	9.84	-64.48
CN(CC1=CC=CC=C1)C(=O)N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013306986	0	48	0.0	-52.03	373.52	10.11	-41.92
O=C([O-])C1=CC=C[NH+]=C1N1CCC(=CC2=CC=CC(F)=C2)CC1	REAL300013306992	0	40	0.0	-47.79	323.07	11.08	-36.71
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)NCC2=CC=C(F)C=C2)CC1	REAL300013307012	0	46	0.0	-60.47	376.05	9.09	-51.38
CCOC1=CC=CC=C1C(=O)N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013307018	0	47	0.0	-52.41	373.47	9.00	-43.41
O=C([O-])C1=CC=CC(NCC2=CC=CC(C[NH+]3CCOCC3)=C2)=N1	REAL300013307029	1	45	0.0	-79.74	360.44	8.11	-71.63
O=C([O-])C1=CN=C(NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C(Cl)=C1	REAL300013307031	1	45	0.0	-71.52	375.94	8.99	-62.53
O=C([O-])C1=CC=CC(NCC2=CC=CC(C[NH+]3CCOCC3)=C2)=N1	REAL300013307032	1	45	0.0	-79.74	360.44	8.11	-71.63
O=C([O-])C1=CC=CC(NCC2=CC=CC(C[NH+]3CCOCC3)=C2)=N1	REAL300013307033	1	45	0.0	-79.74	360.44	8.11	-71.63
O=C([O-])C1=CC2=C(NCC3=CC=CC(C[NH+]4CCOCC4)=C3)N=CNC2=N1	REAL300013307034	1	48	0.0	-101.70	389.12	9.30	-92.40
CN(CCCC1=CC(C2=CC=CC=C2)=NN1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013307036	0	45	0.0	-56.54	368.75	10.21	-46.33
CN(CCCCCC1=CC(C2=CC=CC=C2)=NN1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013307042	0	51	0.0	-56.70	411.75	11.77	-44.93
O=C([O-])C1=CC=CC(NCCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)=N1	REAL300013307074	0	55	0.0	-81.73	425.00	9.59	-72.14
O=C([O-])C1=CC=CC(NCCCCN2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300013307074	1	55	0.0	-80.77	425.36	9.62	-71.15
O=C([O-])C1=CC=CN=C1NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013307075	0	55	0.0	-64.64	420.62	10.00	-54.64
O=C([O-])C1=CC=CC(NCCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)=N1	REAL300013307076	0	55	0.0	-81.73	425.00	9.59	-72.14
O=C([O-])C1=CC=CC(NCCCCN2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300013307076	1	55	0.0	-80.77	425.36	9.62	-71.15
O=C([O-])C1=CC=CC(NCCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)=N1	REAL300013307077	0	55	0.0	-81.73	425.00	9.59	-72.14
O=C([O-])C1=CC=CC(NCCCCN2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300013307077	1	55	0.0	-80.77	425.36	9.62	-71.15
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=NC=C(Cl)C=C2Cl)CC1	REAL300013307079	0	37	0.0	-50.15	332.76	8.36	-41.79
COC1=CC(C(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=CC=C1C	REAL300013307085	0	47	0.0	-50.06	370.79	8.63	-41.43
O=C([O-])C1=CC=CC(NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)=N1	REAL300013307100	0	52	0.0	-83.85	400.65	9.38	-74.47
O=C([O-])C1=CC=CN=C1NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013307101	0	52	0.0	-66.68	396.68	9.93	-56.75
O=C([O-])C1=CN=C(NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(Cl)=C1	REAL300013307102	0	52	0.0	-73.48	416.15	10.24	-63.24
O=C([O-])C1=CC=CC(NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)=N1	REAL300013307103	0	52	0.0	-83.85	400.65	9.38	-74.47
O=C([O-])C1=CC=CC(NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)=N1	REAL300013307104	0	52	0.0	-83.85	400.65	9.38	-74.47
O=C([O-])C1=CC2=C(NCCCC[NH+]3CCN(C4=CC=CC=C4)CC3)N=CNC2=N1	REAL300013307105	0	55	0.0	-107.25	429.33	10.59	-96.66
CN(CC1=CC(Cl)=CC(Cl)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013307119	0	32	0.0	-51.20	298.97	9.71	-41.49
CCN1CC[NH+](CC(C)CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013307132	0	48	0.0	-79.31	360.43	6.69	-72.62
CC[NH+]1CCN(CC(C)CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013307132	1	48	0.0	-76.68	362.78	6.95	-69.73
CCN1CC[NH+](CC(C)CNC2=NC=CC=C2C(=O)[O-])CC1	REAL300013307133	0	48	0.0	-60.10	356.47	7.24	-52.86
CC[NH+]1CCN(CC(C)CNC2=NC=CC=C2C(=O)[O-])CC1	REAL300013307133	1	48	0.0	-65.01	359.15	7.64	-57.37
CCN1CC[NH+](CC(C)CNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013307134	0	48	0.0	-68.52	375.94	7.56	-60.96
CC[NH+]1CCN(CC(C)CNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013307134	1	48	0.0	-67.76	378.27	7.83	-59.93
CCN1CC[NH+](CC(C)CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013307135	0	48	0.0	-79.31	360.43	6.69	-72.62
CC[NH+]1CCN(CC(C)CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013307135	1	48	0.0	-76.68	362.78	6.95	-69.73
CCN1CC[NH+](CC(C)CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013307136	0	48	0.0	-79.31	360.43	6.69	-72.62
CC[NH+]1CCN(CC(C)CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013307136	1	48	0.0	-76.68	362.78	6.95	-69.73
CCN1CC[NH+](CC(C)CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013307137	0	51	0.0	-103.19	389.22	7.89	-95.30
CC[NH+]1CCN(CC(C)CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013307137	1	51	0.0	-100.40	391.81	8.22	-92.18
CN(CC1(C2=CC=C(Br)C=C2)CC1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013307139	0	39	0.0	-48.82	331.49	11.41	-37.41
CC1=C(C(=O)N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)SC2=CC=CC=C21	REAL300013307144	0	46	0.0	-52.03	376.11	10.69	-41.34
COC1=CC(CN(C)C2=[NH+]C=CC=C2C(=O)[O-])=C(SC)C=C1OC	REAL300013307154	0	44	0.0	-51.41	358.24	8.68	-42.73
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)N(CC2=CC=CC=C2)C2CC2)CC1	REAL300013307165	0	53	0.0	-63.91	398.83	11.78	-52.13
CCOC1CC(O)C12CCN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013307169	0	44	0.0	-53.06	337.59	5.75	-47.31
COC1=CC=C(Cl)C=C1CC1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013307175	0	46	0.0	-52.58	369.73	11.26	-41.32
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=CC3=C(C=CO3)S2)CC1	REAL300013307180	0	40	0.0	-51.77	339.27	7.89	-43.88
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC1=CC=CC(C(=O)[O-])=N1	REAL300013307191	0	49	0.0	-77.30	374.74	8.82	-68.48
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC1=NC=CC=C1C(=O)[O-]	REAL300013307192	0	49	0.0	-49.40	372.25	9.49	-39.91
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013307193	1	49	0.0	-70.04	391.81	9.81	-60.23
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC1=CC=CC(C(=O)[O-])=N1	REAL300013307194	0	49	0.0	-77.30	374.74	8.82	-68.48
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC1=CC=CC(C(=O)[O-])=N1	REAL300013307195	0	49	0.0	-77.30	374.74	8.82	-68.48
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013307196	0	52	0.0	-103.19	404.99	10.13	-93.06
COC1=CC(CN(C)C2=[NH+]C=CC=C2C(=O)[O-])=C(SC)C=C1OC	REAL300013307208	0	44	0.0	-51.41	358.24	8.68	-42.73
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013307234	0	47	0.0	-71.16	377.12	11.20	-59.96
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013307234	1	47	0.0	-73.83	379.32	10.53	-63.30
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC1=NC=CC=C1C(=O)[O-]	REAL300013307235	0	47	0.0	-45.76	371.73	11.55	-34.21
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC1=NC=CC=C1C(=O)[O-]	REAL300013307235	1	47	0.0	-53.92	375.31	11.08	-42.84
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013307236	0	47	0.0	-61.82	391.78	11.96	-49.86
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013307236	1	47	0.0	-65.40	394.74	11.42	-53.98
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013307237	0	47	0.0	-71.16	377.12	11.20	-59.96
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013307237	1	47	0.0	-73.83	379.32	10.53	-63.30
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013307238	0	47	0.0	-71.16	377.12	11.20	-59.96
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013307238	1	47	0.0	-73.83	379.32	10.53	-63.30
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013307239	0	50	0.0	-96.03	405.06	12.28	-83.75
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013307239	1	50	0.0	-98.50	408.01	11.74	-86.76
CC1=[NH+]C=CN1CCCCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013307240	1	38	0.0	-64.05	332.82	9.01	-55.04
CC1=[NH+]C=CN1CCCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013307241	1	41	0.0	-97.13	346.00	9.35	-87.78
C[NH+](C)C1(CNC2=CC=CC(C(=O)[O-])=N2)CC2=CC=CC=C2C1	REAL300013307242	0	44	0.0	-74.28	335.95	9.48	-64.80
C[NH+](C)C1(CNC2=NC=CC=C2C(=O)[O-])CC2=CC=CC=C2C1	REAL300013307243	0	44	0.0	-45.16	329.91	9.71	-35.45
C[NH+](C)C1(CNC2=NC=C(C(=O)[O-])C=C2Cl)CC2=CC=CC=C2C1	REAL300013307244	0	44	0.0	-63.95	349.40	10.03	-53.92
C[NH+](C)C1(CNC2=CC=CC(C(=O)[O-])=N2)CC2=CC=CC=C2C1	REAL300013307245	0	44	0.0	-74.28	335.95	9.48	-64.80
C[NH+](C)C1(CNC2=CC=CC(C(=O)[O-])=N2)CC2=CC=CC=C2C1	REAL300013307246	0	44	0.0	-74.28	335.95	9.48	-64.80
C[NH+](C)C1(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC2=CC=CC=C2C1	REAL300013307247	0	47	0.0	-97.50	362.56	10.37	-87.13
CC(NC1=C2C=C(C(=O)[O-])N=C2NC=N1)C(C)(C)C[NH+](C)C	REAL300013307278	0	45	0.0	-104.26	336.46	8.92	-95.34
O=C([O-])C1=CC=C[NH+]=C1N1CCC(COC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300013307282	0	43	0.0	-49.94	374.00	11.29	-38.65
C[N@H+](CCCOC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1)C1CCCC1	REAL300013307317	0	57	0.0	-73.45	439.01	11.70	-61.75
C[N@@H+](CCCOC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1)C1CCCC1	REAL300013307317	1	57	0.0	-72.30	439.00	11.69	-60.61
C[N@H+](CCCOC1=CC=CC=C1CNC1=NC=CC=C1C(=O)[O-])C1CCCC1	REAL300013307318	0	57	0.0	-63.60	435.04	12.24	-51.36
C[N@@H+](CCCOC1=CC=CC=C1CNC1=NC=CC=C1C(=O)[O-])C1CCCC1	REAL300013307318	1	57	0.0	-62.21	435.03	12.24	-49.97
C[N@H+](CCCOC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1)C1CCCC1	REAL300013307319	0	57	0.0	-73.45	439.01	11.70	-61.75
C[N@@H+](CCCOC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1)C1CCCC1	REAL300013307319	1	57	0.0	-72.30	439.00	11.69	-60.61
C[N@H+](CCCOC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1)C1CCCC1	REAL300013307320	0	57	0.0	-73.45	439.01	11.70	-61.75
C[N@@H+](CCCOC1=CC=CC=C1CNC1=CC=CC(C(=O)[O-])=N1)C1CCCC1	REAL300013307320	1	57	0.0	-72.30	439.00	11.69	-60.61
COC(=O)C1CC[NH+](CCCNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013307327	0	46	0.0	-87.32	364.60	8.31	-79.01
COC(=O)C1CC[NH+](CCCNC2=NC=CC=C2C(=O)[O-])CC1	REAL300013307328	0	46	0.0	-66.51	361.08	8.88	-57.63
COC(=O)C1CC[NH+](CCCNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013307329	0	46	0.0	-77.04	380.11	9.17	-67.87
COC(=O)C1CC[NH+](CCCNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013307330	0	46	0.0	-87.32	364.60	8.31	-79.01
COC(=O)C1CC[NH+](CCCNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013307331	0	46	0.0	-87.32	364.60	8.31	-79.01
COC(=O)C1CC[NH+](CCCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013307332	0	49	0.0	-111.84	393.72	9.55	-102.29
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(C1)N=CN2C1=CC=CC=C1	REAL300013307351	0	40	0.0	-55.22	326.53	11.55	-43.67
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(CC2C(=O)NCC2CC2)CC1	REAL300013307375	0	47	0.0	-57.99	371.62	8.85	-49.14
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(C2=CC=C(F)C=C2)CC1	REAL300013307391	0	42	0.0	-52.78	329.30	11.06	-41.72
O=C([O-])C1=CC=C[NH+]=C1N1CCC(N2C=CC(C(F)(F)F)=N2)CC1	REAL300013307400	0	39	0.0	-50.96	331.25	8.67	-42.29
CC(=O)NC1=CNN=C1C1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013307435	0	43	0.0	-47.98	344.63	5.81	-42.17
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(S(=O)(=O)N2CCOCC2)C1	REAL300013307441	0	45	0.0	-53.72	353.45	4.36	-49.36
O=C([O-])C1=CC=C[NH+]=C1N1CCC(N2C=C(Cl)C=N2)CC1	REAL300013307453	0	36	0.0	-51.37	307.00	8.18	-43.19
O=C([O-])C1=CC=CC(N2CCC(CCC[NH+]3CCOCC3)CC2)=N1	REAL300013307458	0	51	0.0	-83.10	380.21	8.53	-74.57
O=C([O-])C1=CN=C(N2CCC(CCC[NH+]3CCOCC3)CC2)C(Cl)=C1	REAL300013307460	0	51	0.0	-69.63	399.09	9.07	-60.56
O=C([O-])C1=CC=CC(N2CCC(CCC[NH+]3CCOCC3)CC2)=N1	REAL300013307461	0	51	0.0	-83.10	380.21	8.53	-74.57
O=C([O-])C1=CC=CC(N2CCC(CCC[NH+]3CCOCC3)CC2)=N1	REAL300013307462	0	51	0.0	-83.10	380.21	8.53	-74.57
O=C([O-])C1=CC2=C(N3CCC(CCC[NH+]4CCOCC4)CC3)N=CNC2=N1	REAL300013307463	0	54	0.0	-100.66	405.58	10.32	-90.34
CC(C)(C)C1=CC=C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2=C1	REAL300013307497	0	45	0.0	-39.02	332.32	10.50	-28.52
O=C([O-])C1=CC=C[NH+]=C1N1CC=C(C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300013307503	0	37	0.0	-45.31	323.22	10.55	-34.76
CC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C(N2CCCC2)=[NH+]1	REAL300013307508	1	43	0.0	-66.97	335.30	8.15	-58.82
CC1=CC=C(CNC2=NC=CC=C2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013307509	1	43	0.0	-48.36	331.36	8.70	-39.66
CC1=CC=C(CNC2=NC=C(C(=O)[O-])C=C2Cl)C(N2CCCC2)=[NH+]1	REAL300013307510	1	43	0.0	-60.72	350.78	8.99	-51.73
CC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C(N2CCCC2)=[NH+]1	REAL300013307511	1	43	0.0	-66.97	335.30	8.15	-58.82
CC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C(N2CCCC2)=[NH+]1	REAL300013307512	1	43	0.0	-66.97	335.30	8.15	-58.82
CC1=CC=C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C(N2CCCC2)=[NH+]1	REAL300013307513	1	46	0.0	-90.41	363.95	9.34	-81.07
CC1=NOC(C2(C)CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013307515	0	40	0.0	-41.93	316.26	6.34	-35.59
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(S(=O)(=O)NC2CCCC2)C1	REAL300013307527	0	47	0.0	-52.90	372.40	5.93	-46.97
CC1=CC=C2NC(C3CCCN(C4=[NH+]C=CC=C4C(=O)[O-])C3)=NC2=C1	REAL300013307533	0	45	0.0	-58.77	356.83	9.92	-48.85
CC1=CC=C2N=C(C3CCCN(C4=[NH+]C=CC=C4C(=O)[O-])C3)NC2=C1	REAL300013307533	1	45	0.0	-58.34	356.80	9.93	-48.41
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2C[N@H+]2CCCC2CO)=N1	REAL300013307538	0	48	0.0	-67.82	373.53	7.30	-60.52
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2C[N@@H+]2CCCC2CO)=N1	REAL300013307538	1	48	0.0	-58.58	363.68	7.96	-50.62
O=C([O-])C1=CC=CN=C1NCC1=CC=CC=C1C[N@H+]1CCCC1CO	REAL300013307539	0	48	0.0	-50.14	363.22	7.96	-42.18
O=C([O-])C1=CC=CN=C1NCC1=CC=CC=C1C[N@@H+]1CCCC1CO	REAL300013307539	1	48	0.0	-41.67	362.85	8.47	-33.20
O=C([O-])C1=CN=C(NCC2=CC=CC=C2C[N@H+]2CCCC2CO)C(Cl)=C1	REAL300013307540	0	48	0.0	-56.41	382.72	8.29	-48.12
O=C([O-])C1=CN=C(NCC2=CC=CC=C2C[N@@H+]2CCCC2CO)C(Cl)=C1	REAL300013307540	1	48	0.0	-52.62	379.24	8.82	-43.80
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2C[N@H+]2CCCC2CO)=N1	REAL300013307541	0	48	0.0	-67.82	373.53	7.30	-60.52
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2C[N@@H+]2CCCC2CO)=N1	REAL300013307541	1	48	0.0	-58.58	363.68	7.96	-50.62
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2C[N@H+]2CCCC2CO)=N1	REAL300013307542	0	48	0.0	-67.82	373.53	7.30	-60.52
O=C([O-])C1=CC=CC(NCC2=CC=CC=C2C[N@@H+]2CCCC2CO)=N1	REAL300013307542	1	48	0.0	-58.58	363.68	7.96	-50.62
O=C([O-])C1=CC2=C(NCC3=CC=CC=C3C[N@H+]3CCCC3CO)N=CNC2=N1	REAL300013307543	0	51	0.0	-93.29	395.90	8.63	-84.66
O=C([O-])C1=CC2=C(NCC3=CC=CC=C3C[N@@H+]3CCCC3CO)N=CNC2=N1	REAL300013307543	1	51	0.0	-84.12	392.42	9.15	-74.97
CC1=C(Cl)C=CC=C1N1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013307550	0	44	0.0	-48.34	345.07	10.21	-38.13
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=CC=C(F)C(F)=C2)CC1	REAL300013307582	0	39	0.0	-51.73	320.24	10.56	-41.17
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC=C(Br)C=C2C1	REAL300013307588	0	33	0.0	-50.01	289.74	9.74	-40.27
CC12CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC1C2(Cl)Cl	REAL300013307594	0	33	0.0	-42.79	281.69	8.84	-33.95
C[N@@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1CC1=CC=CC=C1	REAL300013307651	0	44	0.0	-68.56	332.14	9.33	-59.23
C[N@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1CC1=CC=CC=C1	REAL300013307651	1	44	0.0	-84.21	343.54	9.09	-75.12
C[N@@H+]1CCN(C2=NC=CC=C2C(=O)[O-])CC1CC1=CC=CC=C1	REAL300013307652	0	44	0.0	-55.58	332.57	10.21	-45.37
C[N@H+]1CCN(C2=NC=CC=C2C(=O)[O-])CC1CC1=CC=CC=C1	REAL300013307652	1	44	0.0	-55.55	332.62	10.22	-45.33
C[N@@H+]1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1CC1=CC=CC=C1	REAL300013307653	1	44	0.0	-61.79	350.69	9.90	-51.89
C[N@H+]1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1CC1=CC=CC=C1	REAL300013307653	1	44	0.0	-62.30	350.35	10.04	-52.26
C[N@@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1CC1=CC=CC=C1	REAL300013307654	0	44	0.0	-68.56	332.14	9.33	-59.23
C[N@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1CC1=CC=CC=C1	REAL300013307654	1	44	0.0	-84.21	343.54	9.09	-75.12
C[N@@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1CC1=CC=CC=C1	REAL300013307655	0	44	0.0	-68.56	332.14	9.33	-59.23
C[N@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1CC1=CC=CC=C1	REAL300013307655	1	44	0.0	-84.21	343.54	9.09	-75.12
C[N@@H+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1CC1=CC=CC=C1	REAL300013307656	0	47	0.0	-100.43	368.30	11.42	-89.01
C[N@H+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1CC1=CC=CC=C1	REAL300013307656	1	47	0.0	-110.57	368.22	11.41	-99.16
CN(CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013307658	0	38	0.0	-52.73	343.24	10.70	-42.03
CO[C@H]1C[C@@H](CN(C)C2=NC=C(C(=O)[O-])C=C2Cl)[N@H+](C)C1	REAL300013307666	0	41	0.0	-60.66	336.75	6.62	-54.04
CO[C@H]1C[C@@H](CN(C)C2=NC=C(C(=O)[O-])C=C2Cl)[N@@H+](C)C1	REAL300013307666	1	41	0.0	-64.87	334.73	6.01	-58.86
CO[C@H]1C[C@@H](CN(C)C2=C3C=C(C(=O)[O-])N=C3NC=N2)[N@H+](C)C1	REAL300013307667	0	44	0.0	-87.29	345.01	8.02	-79.27
CO[C@H]1C[C@@H](CN(C)C2=C3C=C(C(=O)[O-])N=C3NC=N2)[N@@H+](C)C1	REAL300013307667	1	44	0.0	-108.05	336.69	7.68	-100.37
C[NH+](C)C1(CNC2=NC=C(C(=O)[O-])C=C2Cl)CCCCC1	REAL300013307668	0	43	0.0	-65.29	318.06	9.10	-56.19
C[NH+](C)C1(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCCCC1	REAL300013307669	0	46	0.0	-95.09	334.49	8.88	-86.21
CN(CC1=CC=C(Br)C=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013307671	0	32	0.0	-51.66	286.80	9.32	-42.34
CN(CC1=CC=C(C(F)(F)F)C=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013307693	0	35	0.0	-52.53	304.23	9.70	-42.83
CN(CC1COC2=CC=CC=C2O1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013307699	0	38	0.0	-58.69	310.58	8.21	-50.48
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=CC=CC=C2)CC1	REAL300013307705	0	40	0.0	-54.00	319.00	8.51	-45.49
O=C([O-])C1=CC=CC(NCC(C2=CC=CO2)[NH+]2CCCCC2)=N1	REAL300013307710	0	44	0.0	-74.07	342.59	9.02	-65.05
O=C([O-])C1=CC=CN=C1NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013307711	0	44	0.0	-49.68	338.44	9.58	-40.10
O=C([O-])C1=CN=C(NCC(C2=CC=CO2)[NH+]2CCCCC2)C(Cl)=C1	REAL300013307712	1	44	0.0	-62.11	358.08	9.88	-52.23
O=C([O-])C1=CC=CC(NCC(C2=CC=CO2)[NH+]2CCCCC2)=N1	REAL300013307713	0	44	0.0	-74.07	342.59	9.02	-65.05
O=C([O-])C1=CC=CC(NCC(C2=CC=CO2)[NH+]2CCCCC2)=N1	REAL300013307714	0	44	0.0	-74.07	342.59	9.02	-65.05
O=C([O-])C1=CC2=C(NCC(C3=CC=CO3)[NH+]3CCCCC3)N=CNC2=N1	REAL300013307715	0	47	0.0	-98.49	371.27	10.22	-88.27
CN(CC1=CC=C(Cl)C(Cl)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013307719	0	32	0.0	-49.95	297.42	9.66	-40.29
O=C([O-])C1=CC=CC(NCC2([NH+]3CCOCC3)CCCCC2)=N1	REAL300013307724	0	48	0.0	-73.44	335.59	7.68	-65.76
O=C([O-])C1=CC=CN=C1NCC1([NH+]2CCOCC2)CCCCC1	REAL300013307725	0	48	0.0	-44.64	334.76	7.62	-37.02
O=C([O-])C1=CN=C(NCC2([NH+]3CCOCC3)CCCCC2)C(Cl)=C1	REAL300013307726	1	48	0.0	-63.47	354.23	7.97	-55.50
O=C([O-])C1=CC=CC(NCC2([NH+]3CCOCC3)CCCCC2)=N1	REAL300013307727	0	48	0.0	-73.44	335.59	7.68	-65.76
O=C([O-])C1=CC=CC(NCC2([NH+]3CCOCC3)CCCCC2)=N1	REAL300013307728	0	48	0.0	-73.44	335.59	7.68	-65.76
O=C([O-])C1=CC2=C(NCC3([NH+]4CCOCC4)CCCCC3)N=CNC2=N1	REAL300013307729	0	51	0.0	-94.72	367.40	8.31	-86.41
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CC1	REAL300013307737	0	43	0.0	-45.99	367.57	10.86	-35.13
O=C([O-])C1=CC2=C(NCC3C[N@H+](CC4=CC=CC=C4)CCO3)N=CNC2=N1	REAL300013307745	1	48	0.0	-110.17	381.83	9.38	-100.79
O=C([O-])C1=CC2=C(NCC3C[N@@H+](CC4=CC=CC=C4)CCO3)N=CNC2=N1	REAL300013307745	1	48	0.0	-110.20	382.13	9.32	-100.88
COC1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](C)C)C=C1OC	REAL300013307746	0	48	0.0	-76.38	373.88	8.50	-67.88
COC1=CC=C(C(CNC2=NC=CC=C2C(=O)[O-])[NH+](C)C)C=C1OC	REAL300013307747	0	48	0.0	-68.06	377.46	8.36	-59.70
COC1=CC=C(C(CNC2=NC=C(C(=O)[O-])C=C2Cl)[NH+](C)C)C=C1OC	REAL300013307748	0	48	0.0	-73.52	392.56	8.69	-64.83
COC1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](C)C)C=C1OC	REAL300013307749	0	48	0.0	-76.38	373.88	8.50	-67.88
COC1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](C)C)C=C1OC	REAL300013307750	0	48	0.0	-76.38	373.88	8.50	-67.88
COC1=CC=C(C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[NH+](C)C)C=C1OC	REAL300013307751	0	51	0.0	-114.68	405.94	9.03	-105.65
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CCCC[N@H+](C)CC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013308040	0	49	0.0	-80.11	364.88	9.88	-70.23
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CCCC[N@@H+](C)CC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013308044	1	49	0.0	-79.68	364.89	9.88	-69.80
CCCC[N@H+](C)CC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013308045	0	52	0.0	-104.71	390.24	11.67	-93.04
CCCC[N@@H+](C)CC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013308045	1	52	0.0	-101.37	390.30	11.67	-89.70
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CC(C)(C)[NH+]1CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013308063	0	43	0.0	-63.95	332.62	8.56	-55.39
CC(C)(C)[NH+]1CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013308064	0	46	0.0	-100.60	345.78	8.90	-91.70
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CC(CNC1=NC=C(C(=O)[O-])C=C1Cl)C[NH+]1CCCCC1	REAL300013308092	0	43	0.0	-67.36	341.21	9.31	-58.05
CC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C[NH+]1CCCCC1	REAL300013308093	0	46	0.0	-102.10	354.38	9.65	-92.45
CN(CCCOC1=CC=C(Cl)C=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013308127	0	39	0.0	-52.68	334.55	9.64	-43.04
COC1=CC=CC=C1OCCN(C)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013308133	0	40	0.0	-60.32	325.56	8.27	-52.05
CN(CCCOC1=CC=CC(Cl)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013308147	0	39	0.0	-53.97	334.55	9.63	-44.34
COC1=CC=C(N2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013308154	0	45	0.0	-52.79	348.45	8.52	-44.27
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)CCC2CCCCC2)CC1	REAL300013308160	0	52	0.0	-51.70	388.57	10.62	-41.08
CN(CCCCCC1=CC(C2=CC=C(F)C=C2)=NN1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013308166	0	51	0.0	-55.13	418.15	11.84	-43.29
CN(CC(O)COC1=CC=C(C(F)(F)F)C=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013308178	0	43	0.0	-57.98	367.21	7.40	-50.58
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CCC(C1=CC=CC=C1)[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013308280	0	47	0.0	-69.04	347.21	9.87	-59.17
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013308281	0	47	0.0	-69.04	347.21	9.87	-59.17
CCC(C1=CC=CC=C1)[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013308282	0	50	0.0	-96.80	376.26	11.76	-85.04
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CC(C1=CC=C(Cl)C=C1)[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013308288	1	47	0.0	-102.92	374.97	11.48	-91.44
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CC[NH+](CC)CCCC1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013308422	1	52	0.0	-70.10	379.39	11.02	-59.08
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CC(CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[NH+]1CCCCC1	REAL300013308538	0	46	0.0	-99.69	352.51	9.25	-90.44
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CCC[N@H+](C)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=C(Cl)C=C1	REAL300013308567	0	46	0.0	-71.98	366.33	10.15	-61.83
CCC[N@@H+](C)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=C(Cl)C=C1	REAL300013308567	1	46	0.0	-71.38	363.02	9.93	-61.45
CCC[N@H+](C)C(CNC1=NC=CC=C1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013308568	0	46	0.0	-51.92	359.95	11.73	-40.19
CCC[N@@H+](C)C(CNC1=NC=CC=C1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013308568	1	46	0.0	-46.17	361.03	11.37	-34.80
CCC[N@H+](C)C(CNC1=NC=C(C(=O)[O-])C=C1Cl)C1=CC=C(Cl)C=C1	REAL300013308569	0	46	0.0	-68.22	381.59	11.45	-56.77
CCC[N@@H+](C)C(CNC1=NC=C(C(=O)[O-])C=C1Cl)C1=CC=C(Cl)C=C1	REAL300013308569	1	46	0.0	-68.09	381.78	11.71	-56.38
CCC[N@H+](C)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=C(Cl)C=C1	REAL300013308570	0	46	0.0	-71.98	366.33	10.15	-61.83
CCC[N@@H+](C)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=C(Cl)C=C1	REAL300013308570	1	46	0.0	-71.38	363.02	9.93	-61.45
CCC[N@H+](C)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=C(Cl)C=C1	REAL300013308571	0	46	0.0	-71.98	366.33	10.15	-61.83
CCC[N@@H+](C)C(CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=C(Cl)C=C1	REAL300013308571	1	46	0.0	-71.38	363.02	9.93	-61.45
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CCC[N@@H+](C)C(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1=CC=C(Cl)C=C1	REAL300013308572	1	49	0.0	-99.28	394.97	12.05	-87.23
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CN(CCN1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013308678	0	52	0.0	-82.26	401.35	10.16	-72.10
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CC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013309398	1	47	0.0	-67.95	350.19	10.27	-57.68
CC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013309399	0	47	0.0	-76.85	351.20	9.74	-67.11
CC1CCN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013309399	1	47	0.0	-67.95	350.19	10.27	-57.68
CC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013309400	0	50	0.0	-102.70	368.53	12.22	-90.48
CC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013309400	1	50	0.0	-100.01	377.87	11.81	-88.20
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CN1CC[NH+](CC2(C)CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013309415	0	52	0.0	-79.57	369.03	7.17	-72.40
CN1CC[NH+](CC2(C)CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)CC1	REAL300013309416	0	55	0.0	-99.53	391.92	8.80	-90.73
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CCC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013309448	0	47	0.0	-70.30	354.91	10.44	-59.86
CCC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013309448	1	47	0.0	-65.75	348.98	9.83	-55.92
CCC1CN(C2=NC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013309449	0	47	0.0	-52.42	359.49	11.05	-41.37
CCC1CN(C2=NC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013309449	1	47	0.0	-50.37	349.32	10.71	-39.66
CCC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@@H+]1CC1=CC=CC=C1	REAL300013309450	0	47	0.0	-63.16	377.69	10.92	-52.24
CCC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@H+]1CC1=CC=CC=C1	REAL300013309450	1	47	0.0	-63.07	377.22	10.90	-52.17
CCC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013309451	0	47	0.0	-70.30	354.91	10.44	-59.86
CCC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013309451	1	47	0.0	-65.75	348.98	9.83	-55.92
CCC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013309452	0	47	0.0	-70.30	354.91	10.44	-59.86
CCC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013309452	1	47	0.0	-65.75	348.98	9.83	-55.92
CCC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013309453	0	50	0.0	-99.14	379.66	12.15	-86.99
CCC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013309453	1	50	0.0	-100.21	379.05	12.27	-87.94
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C[NH+](C)CC1(CNC2=NC=C(C(=O)[O-])C=C2Cl)CCCC1	REAL300013309468	0	43	0.0	-67.17	333.05	9.12	-58.05
C[NH+](C)CC1(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCCC1	REAL300013309469	0	46	0.0	-109.38	346.23	9.48	-99.90
COC(=O)C1=CN(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)N=N1	REAL300013309477	0	38	0.0	-54.31	321.63	6.08	-48.23
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COC(=O)C1=CN(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)N=N1	REAL300013309502	0	41	0.0	-58.33	341.73	6.90	-51.43
CCOC1=CC=C(C2=CN(C3CN(C4=[NH+]C=CC=C4C(=O)[O-])C3)N=N2)C=C1	REAL300013309509	0	46	0.0	-62.61	375.52	8.39	-54.22
CC(C)C1=CC=C(CC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)C=C1	REAL300013309530	0	48	0.0	-49.66	370.12	12.35	-37.31
CC(C)C1=CC=C(CC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013309565	0	51	0.0	-49.23	389.07	13.15	-36.08
CC1C[N@H+](CC2=CC=CC=C2)CC1NC1=CC=CC(C(=O)[O-])=N1	REAL300013309570	0	44	0.0	-81.66	349.41	9.60	-72.06
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC1=CC=CC(C(=O)[O-])=N1	REAL300013309570	1	44	0.0	-78.97	351.00	9.75	-69.22
CC1C[N@H+](CC2=CC=CC=C2)CC1NC1=NC=CC=C1C(=O)[O-]	REAL300013309571	0	44	0.0	-56.37	343.43	10.61	-45.76
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC1=NC=CC=C1C(=O)[O-]	REAL300013309571	1	44	0.0	-56.97	346.90	10.37	-46.60
CC1C[N@H+](CC2=CC=CC=C2)CC1NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013309572	0	44	0.0	-68.81	361.60	10.95	-57.86
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013309572	1	44	0.0	-68.85	362.84	11.01	-57.84
CC1C[N@H+](CC2=CC=CC=C2)CC1NC1=CC=CC(C(=O)[O-])=N1	REAL300013309573	0	44	0.0	-81.66	349.41	9.60	-72.06
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC1=CC=CC(C(=O)[O-])=N1	REAL300013309573	1	44	0.0	-78.97	351.00	9.75	-69.22
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CCCN(CC[NH+]1CCCC1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013309595	0	43	0.0	-62.22	338.98	9.03	-53.19
CCCN(CC[NH+]1CCCC1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013309596	0	46	0.0	-93.30	368.06	10.60	-82.70
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O=C([O-])C1=CC=CC(N2CCN(C3CC[N@@H+](CC4=CC=CC=C4)C3)CC2)=N1	REAL300013309601	1	53	0.0	-76.06	398.30	8.93	-67.13
O=C([O-])C1=CC=CC(N2CCN(C3CC[N@H+](CC4=CC=CC=C4)C3)CC2)=N1	REAL300013309602	0	53	0.0	-76.12	403.47	9.20	-66.92
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CN(CCC1=NC(C2=CC=CC=C2)=NO1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013309612	0	40	0.0	-52.29	339.02	8.15	-44.14
CC1CC([NH+]2CCCC2)CN1C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013309623	0	41	0.0	-64.43	326.18	8.56	-55.87
CC1CC([NH+]2CCCC2)CN1C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013309624	0	44	0.0	-92.46	339.36	10.16	-82.30
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CN(C1=NC=C(C(=O)[O-])C=C1Cl)C1CC2CCC(C1)[NH+]2C	REAL300013309651	0	41	0.0	-62.25	297.31	9.52	-52.73
CN(C1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CC2CCC(C1)[NH+]2C	REAL300013309652	0	44	0.0	-103.23	299.02	8.18	-95.05
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COCC[NH+](CCOC)C1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013309675	1	51	0.0	-55.49	379.27	7.00	-48.49
COCC[NH+](CCOC)C1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013309676	0	51	0.0	-62.95	397.45	6.71	-56.24
COCC[NH+](CCOC)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013309677	0	51	0.0	-69.45	378.58	6.17	-63.28
COCC[NH+](CCOC)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013309678	0	51	0.0	-69.45	378.58	6.17	-63.28
COCC[NH+](CCOC)C1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013309679	0	54	0.0	-97.87	400.27	8.27	-89.60
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CN(C)C(=O)C[NH+]1C2CCC1CC(NC1=CC=CC(C(=O)[O-])=N1)C2	REAL300013309686	0	48	0.0	-82.98	357.64	7.01	-75.97
CN(C)C(=O)C[NH+]1C2CCC1CC(NC1=NC=CC=C1C(=O)[O-])C2	REAL300013309687	0	48	0.0	-65.91	355.55	7.70	-58.21
CN(C)C(=O)C[NH+]1C2CCC1CC(NC1=NC=C(C(=O)[O-])C=C1Cl)C2	REAL300013309688	0	48	0.0	-72.43	375.57	8.01	-64.42
CN(C)C(=O)C[NH+]1C2CCC1CC(NC1=CC=CC(C(=O)[O-])=N1)C2	REAL300013309689	0	48	0.0	-82.98	357.64	7.01	-75.97
CN(C)C(=O)C[NH+]1C2CCC1CC(NC1=CC=CC(C(=O)[O-])=N1)C2	REAL300013309690	0	48	0.0	-82.98	357.64	7.01	-75.97
CN(C)C(=O)C[NH+]1C2CCC1CC(NC1=C3C=C(C(=O)[O-])N=C3NC=N1)C2	REAL300013309691	0	51	0.0	-101.13	378.27	9.60	-91.53
COC1=CC=CC=C1OC1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013309745	0	44	0.0	-51.17	346.48	9.33	-41.84
CCOC(=O)C1(S(C)(=O)=O)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013309751	0	44	0.0	-52.67	349.72	5.15	-47.52
CCC1=CC=C(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)C=C1	REAL300013309757	0	45	0.0	-51.28	350.49	11.87	-39.41
CN(CCC[N@H+](C)CC1=CC=CO1)C1=CC=CC(C(=O)[O-])=N1	REAL300013309803	0	43	0.0	-85.10	346.79	9.75	-75.35
CN(CCC[N@@H+](C)CC1=CC=CO1)C1=CC=CC(C(=O)[O-])=N1	REAL300013309803	1	43	0.0	-85.01	345.70	9.66	-75.35
CN(CCC[N@H+](C)CC1=CC=CO1)C1=NC=CC=C1C(=O)[O-]	REAL300013309804	1	43	0.0	-61.54	344.28	9.21	-52.33
CN(CCC[N@@H+](C)CC1=CC=CO1)C1=NC=CC=C1C(=O)[O-]	REAL300013309804	1	43	0.0	-61.01	343.19	9.10	-51.91
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O=C([O-])C1=CC=CN=C1NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300013310320	1	49	0.0	-61.65	388.70	9.77	-51.88
O=C([O-])C1=CC=CC(NCCC[NH+]2CCN(C3=CC=CC=C3Cl)CC2)=N1	REAL300013310321	1	49	0.0	-83.16	398.95	9.58	-73.58
O=C([O-])C1=CC=CC(NCCC[NH+]2CCN(C3=CC=CC=C3Cl)CC2)=N1	REAL300013310322	1	49	0.0	-83.16	398.95	9.58	-73.58
COCC[NH+]1CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013310346	0	41	0.0	-66.41	336.04	7.01	-59.40
COCC[NH+]1CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013310347	0	44	0.0	-104.72	349.23	7.34	-97.38
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)CC2=CC=CC=C2Cl)CC1	REAL300013310349	0	43	0.0	-50.76	360.63	10.07	-40.69
CN(CCCOC1=CC=C(S(C)(=O)=O)C=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013310365	0	45	0.0	-62.02	378.50	6.64	-55.38
CN(C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1)S(C)(=O)=O	REAL300013310375	0	40	0.0	-55.21	323.72	4.71	-50.50
CC1=[NH+]C2=CC=C(F)C=C2C(N2CC(C)CC(C(=O)[O-])C2)=C1	REAL300013310399	0	41	0.0	-54.01	319.85	8.43	-45.58
CC1CC(C(=O)[O-])CN(C2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013310405	0	44	0.0	-55.45	335.16	9.01	-46.44
CC1CC(C(=O)[O-])CN(C2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013310405	1	44	0.0	-56.52	344.54	8.29	-48.23
CC1CC(C(=O)[O-])CN(C2=CC(N3CCCCC3)=[NH+]C=N2)C1	REAL300013310417	0	46	0.0	-54.62	340.82	8.86	-45.76
CC1CC(C(=O)[O-])CN(C2=CC(N3CCCCC3)=NC=[NH+]2)C1	REAL300013310417	1	46	0.0	-50.98	339.69	8.78	-42.20
CC1CC(C(=O)[O-])CN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013310418	0	50	0.0	-53.35	375.82	5.80	-47.55
CC1CC(C(=O)[O-])CN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013310418	1	50	0.0	-62.35	373.37	5.64	-56.71
CCCC1=[NH+]C2=CC=CC=C2C(N2CC(C)CC(C(=O)[O-])C2)=C1	REAL300013310419	0	47	0.0	-52.05	355.94	9.88	-42.17
COC1=CC2=NC(N3CC(C)CC(C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013310443	0	47	0.0	-49.45	358.04	7.45	-42.00
CC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C1	REAL300013310450	0	41	0.0	-61.71	330.64	8.78	-52.93
CC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)C1	REAL300013310457	1	38	0.0	-55.76	307.72	8.26	-47.50
CC1CC(C(=O)[O-])CN(C2=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N2)C1	REAL300013310459	1	55	0.0	-49.95	404.98	10.31	-39.64
CC1CC(C(=O)[O-])CN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013310466	0	44	0.0	-54.60	326.92	6.67	-47.93
CC1CC(C(=O)[O-])CN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013310466	1	44	0.0	-56.00	331.90	6.41	-49.59
CC1=CC(N2CC(C)CC(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013310471	1	46	0.0	-63.70	374.92	10.47	-53.23
CC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)C1	REAL300013310495	1	38	0.0	-59.25	308.39	8.29	-50.96
CC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1	REAL300013310504	1	38	0.0	-59.53	312.97	8.39	-51.14
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CC(C)CC(C(=O)[O-])C2)=C1C	REAL300013310530	0	44	0.0	-59.13	343.22	10.06	-49.07
CC1CC(C(=O)[O-])CN(C2=CC(N3C=CC=N3)=NC(N)=[NH+]2)C1	REAL300013310556	0	40	0.0	-52.62	324.12	7.72	-44.90
CC1CC(C(=O)[O-])CN(C2=[NH+]C=CC(N3CCOCC3)=N2)C1	REAL300013310559	0	44	0.0	-50.38	333.83	6.91	-43.47
COC1=CC=CC2=C(N3CC(C)CC(C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013310564	1	45	0.0	-49.28	342.97	8.51	-40.77
CCOC(=O)C1=C(N2CC(C)CC(C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013310565	1	50	0.0	-66.41	389.32	8.73	-57.68
CCOC(=O)C1=C(N2CC(C)CC(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013310566	1	53	0.0	-59.95	392.33	11.62	-48.33
CC(C)C1=[NH+]C(N(C)C)=NC(N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013310578	1	47	0.0	-53.31	361.14	11.07	-42.24
CC(C)C1=NC(N(C)C)=NC(N2CC(C)CC(C(=O)[O-])C2)=[NH+]1	REAL300013310578	1	47	0.0	-43.19	360.51	11.22	-31.97
CC1CC(C(=O)[O-])CN(C2=CC=[NH+]C(N3CCCCC3)=N2)C1	REAL300013310584	0	46	0.0	-53.19	343.10	9.41	-43.78
CCC1=C(N2CC(C)CC(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013310594	0	47	0.0	-54.34	346.27	9.80	-44.54
CC1CC(C(=O)[O-])CN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013310600	0	50	0.0	-52.78	374.11	4.97	-47.81
CC1CC(C(=O)[O-])CN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013310600	1	50	0.0	-55.95	367.95	5.87	-50.08
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CC(C)CC(C(=O)[O-])C2)=C1	REAL300013310605	0	43	0.0	-59.81	341.50	9.03	-50.78
CC1CC(C(=O)[O-])CN(C2=CC(N3CCN(C)C(=O)C3)=NC=[NH+]2)C1	REAL300013310615	0	47	0.0	-61.17	360.88	6.48	-54.69
CC1CC(C(=O)[O-])CN(C2=CC(N3CCN(C)C(=O)C3)=[NH+]C=N2)C1	REAL300013310615	1	47	0.0	-51.81	347.22	6.44	-45.37
CC(C)C1OCCCC1NC1=[NH+]C=NC(N2CC(C)CC(C(=O)[O-])C2)=C1	REAL300013310625	0	56	0.0	-53.24	405.78	10.00	-43.24
CC(C)C1OCCCC1NC1=NC=[NH+]C(N2CC(C)CC(C(=O)[O-])C2)=C1	REAL300013310625	1	56	0.0	-50.27	412.52	9.26	-41.01
CC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C1	REAL300013310645	0	49	0.0	-55.74	375.99	10.88	-44.86
CC1CC(C(=O)[O-])CN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013310650	1	45	0.0	-45.76	361.49	11.44	-34.32
CCCCNC1=CC(N2CC(C)CC(C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013310657	0	47	0.0	-54.81	362.79	7.47	-47.34
CCCCNC1=CC(N2CC(C)CC(C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013310657	1	47	0.0	-47.08	362.89	7.47	-39.61
CC(C)NC1=NC(N2CC(C)CC(C(=O)[O-])C2)=NC(NCCO)=[NH+]1	REAL300013310668	0	50	0.0	-52.37	383.35	8.56	-43.81
CC(C)NC1=NC(N2CC(C)CC(C(=O)[O-])C2)=[NH+]C(NCCO)=N1	REAL300013310668	1	50	0.0	-45.02	390.53	7.59	-37.43
CC(C)NC1=[NH+]C(N2CC(C)CC(C(=O)[O-])C2)=NC(NCCO)=N1	REAL300013310668	1	50	0.0	-44.62	389.93	7.57	-37.05
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013310681	0	52	0.0	-50.94	384.35	12.80	-38.14
CCNC1=NC(NC(C)(C)C)=NC(N2CC(C)CC(C(=O)[O-])C2)=[NH+]1	REAL300013310681	1	52	0.0	-42.73	391.71	11.81	-30.92
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013310681	1	52	0.0	-41.15	388.98	11.49	-29.66
CC(O)C1CCN(C2=NC=[NH+]C(N3CC(C)CC(C(=O)[O-])C3)=C2)C1	REAL300013310720	0	50	0.0	-55.03	377.72	5.77	-49.26
CC(O)C1CCN(C2=[NH+]C=NC(N3CC(C)CC(C(=O)[O-])C3)=C2)C1	REAL300013310720	1	50	0.0	-52.48	366.26	6.15	-46.33
CC1CC(C(=O)[O-])CN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C1	REAL300013310722	1	41	0.0	-49.94	326.18	9.43	-40.51
CCCC1=CC2=C(N3CC(C)CC(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013310725	0	47	0.0	-53.33	355.35	9.95	-43.38
CC(C)OC1=CC=C2[NH+]=CC=C(N3CC(C)CC(C(=O)[O-])C3)C2=C1	REAL300013310727	0	48	0.0	-55.86	360.27	8.61	-47.25
CC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013310843	1	38	0.0	-55.61	312.27	8.36	-47.25
CCOC1=CC2=[NH+]C=CC(N3CC(C)CC(C(=O)[O-])C3)=C2C=C1OCC	REAL300013310860	0	52	0.0	-55.14	393.25	8.84	-46.30
CCC1=CC(N2CC(C)CC(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013310862	1	46	0.0	-56.42	363.33	8.75	-47.67
COC1=CC2=[NH+]C=CC(N3CC(C)CC(C(=O)[O-])C3)=C2C=C1Br	REAL300013310899	0	42	0.0	-55.88	340.83	7.74	-48.14
CC1CC(C(=O)[O-])CN(C2=[NH+]C=CC(N3CCCC(C)(C)C3)=N2)C1	REAL300013310907	0	52	0.0	-53.71	380.61	9.92	-43.79
CC1=CC2=C(N3CC(C)CC(C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013310912	0	51	0.0	-52.98	372.96	11.38	-41.60
CC1=CC(C(F)(F)F)=CC(N2CC(C)CC(C(=O)[O-])C2)=[NH+]1	REAL300013310915	0	38	0.0	-53.92	313.51	7.80	-46.12
CC1CC(C(=O)[O-])CN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C1	REAL300013310917	1	43	0.0	-58.62	337.36	9.71	-48.91
COC1=CC2=[NH+]C=CC(N3CC(C)CC(C(=O)[O-])C3)=C2C=C1OC	REAL300013310920	0	46	0.0	-55.44	349.54	7.00	-48.44
CC1CC(C(=O)[O-])CN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013310948	0	47	0.0	-55.99	364.48	9.58	-46.41
CC1=CC=C2C(N3CC(C)CC(C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013310974	0	44	0.0	-47.66	352.16	9.98	-37.68
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CC(C)CC(C(=O)[O-])C2)=N1	REAL300013310976	0	46	0.0	-56.17	359.89	9.14	-47.03
CC1=NC(NC2=CC=CC=C2)=CC(N2CC(C)CC(C(=O)[O-])C2)=[NH+]1	REAL300013310976	1	46	0.0	-47.89	359.94	9.15	-38.74
CC1=[NH+]C=CC(N2CC(C)CC(C(=O)[O-])C2)=C1Br	REAL300013310979	0	35	0.0	-55.36	284.41	6.75	-48.61
CC1CC(C(=O)[O-])CN(C2=[NH+]C=CC(N(C)C3CCCCC3)=N2)C1	REAL300013310981	0	52	0.0	-50.92	382.38	11.01	-39.91
CC1=CC(N(C)C(C)C)=NC(N2CC(C)CC(C(=O)[O-])C2)=[NH+]1	REAL300013310982	0	48	0.0	-43.88	355.72	10.82	-33.06
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CC(C)CC(C(=O)[O-])C2)=[NH+]1	REAL300013310985	0	49	0.0	-42.12	384.18	12.59	-29.53
CC1=CC(N2C=CC=N2)=NC(N2CC(C)CC(C(=O)[O-])C2)=[NH+]1	REAL300013310986	1	41	0.0	-45.08	329.15	9.74	-35.34
CC1=CC(N2CC(C)CC(C(=O)[O-])C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013310989	0	48	0.0	-49.07	360.43	10.99	-38.08
CC1CC(C(=O)[O-])CN(C2=CC=[NH+]C(N(C)C3CCCCC3)=N2)C1	REAL300013310992	0	52	0.0	-53.97	380.87	12.32	-41.65
CC1=CC(N2CC(C)CC(C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013310994	1	49	0.0	-50.60	377.72	13.23	-37.37
CC1CC(C(=O)[O-])CN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)C1	REAL300013311036	0	42	0.0	-45.04	329.97	8.80	-36.24
CC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013311037	0	42	0.0	-61.23	337.61	7.57	-53.66
CC1CC(C(=O)[O-])CN(C2=CC(N(C)C)=[NH+]C(N(C)C)=N2)C1	REAL300013311041	1	47	0.0	-48.78	347.92	10.72	-38.06
CC1CC(C(=O)[O-])CN(C2=CC(N(C)C)=NC(N(C)C)=[NH+]2)C1	REAL300013311041	1	47	0.0	-45.03	347.33	10.59	-34.44
CC1=C(Cl)C2=[NH+]C=CC(N3CC(C)CC(C(=O)[O-])C3)=C2C=C1	REAL300013311048	1	41	0.0	-49.35	319.55	9.18	-40.17
C[NH+](C)C1CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013311049	0	43	0.0	-104.98	333.37	8.66	-96.32
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(CC(=O)NCC2=CC=C(F)C=C2)C1	REAL300013311051	0	49	0.0	-60.82	394.62	9.79	-51.03
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013311060	0	41	0.0	-64.82	311.95	8.14	-56.68
CC1(C(=O)[O-])CCN(C2=CC(N3CCSCC3)=NC=[NH+]2)CC1	REAL300013311066	0	44	0.0	-63.51	331.90	8.46	-55.05
CC1(C(=O)[O-])CCN(C2=CC(N3CCSCC3)=[NH+]C=N2)CC1	REAL300013311066	1	44	0.0	-66.12	333.55	8.16	-57.96
CC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3)=[NH+]C=N2)CC1	REAL300013311078	0	46	0.0	-62.52	332.08	8.55	-53.97
CC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3)=NC=[NH+]2)CC1	REAL300013311078	1	46	0.0	-59.78	332.35	8.57	-51.21
CC1(C(=O)[O-])CCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CC1	REAL300013311079	0	50	0.0	-62.60	364.26	5.86	-56.74
CC1(C(=O)[O-])CCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CC1	REAL300013311079	1	50	0.0	-66.38	363.71	5.82	-60.56
CCCC1=[NH+]C2=CC=CC=C2C(N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013311080	0	47	0.0	-58.17	347.65	9.58	-48.59
COC1=CC2=NC(N3CCC(C)(C(=O)[O-])CC3)=[NH+]C(N)=C2C=C1OC	REAL300013311104	0	47	0.0	-62.47	355.26	6.90	-55.57
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)CC1	REAL300013311111	0	41	0.0	-67.98	322.62	8.51	-59.47
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)CC1	REAL300013311118	1	38	0.0	-69.32	300.67	8.02	-61.30
CC(C)(C)C1=[NH+]C(C(C)(C)C)=NC(N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013311120	1	55	0.0	-55.00	395.58	10.49	-44.51
CC1(C(=O)[O-])CCN(C2=CC(N3CCOCC3)=NC=[NH+]2)CC1	REAL300013311127	0	44	0.0	-62.32	323.66	6.12	-56.20
CC1(C(=O)[O-])CCN(C2=CC(N3CCOCC3)=[NH+]C=N2)CC1	REAL300013311127	1	44	0.0	-64.43	323.90	6.11	-58.32
CC1=CC(N2CCC(C)(C(=O)[O-])CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013311132	1	46	0.0	-70.93	365.53	10.65	-60.28
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC1	REAL300013311156	1	38	0.0	-67.65	307.50	8.52	-59.13
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)CC1	REAL300013311165	1	38	0.0	-67.96	312.06	8.62	-59.34
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCC(C)(C(=O)[O-])CC2)=C1C	REAL300013311191	0	44	0.0	-62.98	337.16	9.32	-53.66
CC1(C(=O)[O-])CCN(C2=CC(N3C=CC=N3)=NC(N)=[NH+]2)CC1	REAL300013311217	0	40	0.0	-59.59	312.02	7.75	-51.84
CC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N3CCOCC3)=N2)CC1	REAL300013311220	0	44	0.0	-63.32	325.51	6.64	-56.68
COC1=CC=CC2=C(N3CCC(C)(C(=O)[O-])CC3)C=C(C)[NH+]=C12	REAL300013311225	1	45	0.0	-56.47	333.07	7.50	-48.97
CCOC(=O)C1=C(N2CCC(C)(C(=O)[O-])CC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013311226	1	50	0.0	-74.05	379.93	8.38	-65.67
CCOC(=O)C1=C(N2CCC(C)(C(=O)[O-])CC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013311227	1	53	0.0	-68.21	389.24	11.04	-57.17
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013311239	1	47	0.0	-56.47	349.32	11.67	-44.80
CC(C)C1=NC(N(C)C)=NC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013311239	1	47	0.0	-50.61	350.98	11.71	-38.90
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C(N3CCCCC3)=N2)CC1	REAL300013311245	0	46	0.0	-63.60	334.41	9.10	-54.50
CCC1=C(N2CCC(C)(C(=O)[O-])CC2)C2=CC=CC=C2[NH+]=C1C	REAL300013311255	0	47	0.0	-60.15	336.35	9.42	-50.73
CC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)CC1	REAL300013311261	0	50	0.0	-61.54	362.97	5.67	-55.87
CC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)CC1	REAL300013311261	1	50	0.0	-64.36	364.89	5.33	-59.03
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013311266	0	43	0.0	-74.87	333.61	8.74	-66.13
CN1CCN(C2=CC(N3CCC(C)(C(=O)[O-])CC3)=[NH+]C=N2)CC1=O	REAL300013311276	0	47	0.0	-69.37	349.23	6.57	-62.80
CN1CCN(C2=CC(N3CCC(C)(C(=O)[O-])CC3)=NC=[NH+]2)CC1=O	REAL300013311276	1	47	0.0	-65.21	344.89	5.90	-59.31
CC(C)C1OCCCC1NC1=CC(N2CCC(C)(C(=O)[O-])CC2)=NC=[NH+]1	REAL300013311286	0	56	0.0	-63.42	402.81	9.46	-53.96
CC(C)C1OCCCC1NC1=CC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]C=N1	REAL300013311286	1	56	0.0	-59.21	400.84	9.32	-49.89
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)CC1	REAL300013311306	0	49	0.0	-69.79	372.54	10.34	-59.45
CC1(C(=O)[O-])CCN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)CC1	REAL300013311311	1	45	0.0	-52.93	351.57	10.43	-42.50
CCCCNC1=CC(N2CCC(C)(C(=O)[O-])CC2)=NC(N)=[NH+]1	REAL300013311318	0	47	0.0	-60.38	353.41	7.68	-52.70
CCCCNC1=CC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]C(N)=N1	REAL300013311318	1	47	0.0	-55.37	350.76	7.51	-47.86
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013311329	0	50	0.0	-58.66	379.66	8.00	-50.66
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013311329	1	50	0.0	-52.36	381.21	8.09	-44.27
CC(C)NC1=NC(NCCO)=NC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013311329	1	50	0.0	-51.49	380.32	8.06	-43.43
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013311342	0	52	0.0	-55.15	379.26	11.91	-43.24
CCNC1=NC(NC(C)(C)C)=NC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013311342	1	52	0.0	-50.74	382.16	12.31	-38.43
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013311342	1	52	0.0	-51.10	384.02	12.39	-38.71
CC(O)C1CCN(C2=CC(N3CCC(C)(C(=O)[O-])CC3)=[NH+]C=N2)C1	REAL300013311381	0	50	0.0	-61.49	366.11	5.82	-55.67
CC(O)C1CCN(C2=CC(N3CCC(C)(C(=O)[O-])CC3)=NC=[NH+]2)C1	REAL300013311381	1	50	0.0	-62.81	363.22	5.61	-57.20
CC1(C(=O)[O-])CCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CC1	REAL300013311383	1	41	0.0	-59.68	309.82	9.04	-50.64
CCCC1=CC2=C(N3CCC(C)(C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013311386	0	47	0.0	-65.03	348.30	9.71	-55.32
CC(C)OC1=CC2=C(N3CCC(C)(C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013311388	0	48	0.0	-69.72	353.12	8.36	-61.36
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)CC1	REAL300013311504	1	38	0.0	-69.31	305.23	8.12	-61.19
CCOC1=CC2=[NH+]C=CC(N3CCC(C)(C(=O)[O-])CC3)=C2C=C1OCC	REAL300013311521	0	52	0.0	-67.33	386.11	8.60	-58.73
CCC1=CC(N2CCC(C)(C(=O)[O-])CC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013311523	1	46	0.0	-62.47	353.97	8.93	-53.54
COC1=CC2=[NH+]C=CC(N3CCC(C)(C(=O)[O-])CC3)=C2C=C1Br	REAL300013311560	0	42	0.0	-70.26	333.75	7.49	-62.77
CC1(C)CCCN(C2=CC=[NH+]C(N3CCC(C)(C(=O)[O-])CC3)=N2)C1	REAL300013311568	0	52	0.0	-61.27	371.65	10.47	-50.80
CC1=CC2=C(N3CCC(C)(C(=O)[O-])CC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013311573	0	51	0.0	-58.40	367.32	10.76	-47.64
CC1=CC(C(F)(F)F)=CC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013311576	0	38	0.0	-60.50	301.38	7.85	-52.65
CC1(C(=O)[O-])CCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CC1	REAL300013311578	1	43	0.0	-61.75	329.07	9.91	-51.84
COC1=CC2=[NH+]C=CC(N3CCC(C)(C(=O)[O-])CC3)=C2C=C1OC	REAL300013311581	0	46	0.0	-67.45	342.40	6.76	-60.69
CC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CC1	REAL300013311609	0	47	0.0	-64.09	357.28	10.24	-53.85
CC1=CC=C2C(N3CCC(C)(C(=O)[O-])CC3)=CC(C)=[NH+]C2=C1Cl	REAL300013311635	0	44	0.0	-56.66	344.60	9.72	-46.94
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013311637	0	46	0.0	-57.76	350.94	9.84	-47.92
CC1=NC(NC2=CC=CC=C2)=CC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013311637	1	46	0.0	-55.32	347.79	9.19	-46.13
CC1=[NH+]C=CC(N2CCC(C)(C(=O)[O-])CC2)=C1Br	REAL300013311640	0	35	0.0	-69.84	284.15	6.91	-62.93
CN(C1=CC=[NH+]C(N2CCC(C)(C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013311642	0	52	0.0	-59.15	372.65	11.54	-47.61
CC1=CC(N(C)C(C)C)=NC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013311643	0	48	0.0	-54.79	352.84	10.25	-44.54
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013311646	0	49	0.0	-58.62	373.70	11.45	-47.17
CC1=CC(N2C=CC=N2)=NC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013311647	1	41	0.0	-57.14	321.11	9.50	-47.64
CC1=CC(N2CCC(C)(C(=O)[O-])CC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013311650	0	48	0.0	-58.38	352.37	10.73	-47.65
CN(C1=[NH+]C=CC(N2CCC(C)(C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013311653	0	52	0.0	-63.65	372.19	12.01	-51.64
CC1=CC(N2CCC(C)(C(=O)[O-])CC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013311655	1	49	0.0	-60.30	374.24	12.69	-47.61
CC1(C(=O)[O-])CCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)CC1	REAL300013311697	0	42	0.0	-52.54	312.20	8.24	-44.30
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)CC1	REAL300013311698	0	42	0.0	-69.57	336.70	7.82	-61.75
CN(C)C1=CC(N2CCC(C)(C(=O)[O-])CC2)=NC(N(C)C)=[NH+]1	REAL300013311702	1	47	0.0	-56.79	343.56	10.17	-46.62
CN(C)C1=CC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]C(N(C)C)=N1	REAL300013311702	1	47	0.0	-52.18	345.04	9.82	-42.36
CC1=C(Cl)C2=[NH+]C=CC(N3CCC(C)(C(=O)[O-])CC3)=C2C=C1	REAL300013311709	1	41	0.0	-59.99	317.02	8.67	-51.32
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)NCC2=CC=CC=C2)C1	REAL300013311711	0	43	0.0	-48.44	350.99	8.16	-40.28
CCCC1=NOC(CC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013311725	0	46	0.0	-50.39	365.11	8.24	-42.15
COC1=CC=C(NC2=CC(NCCCC(=O)[O-])=[NH+]C=N2)C(OC)=C1	REAL300013311746	1	44	0.0	-58.72	357.74	7.82	-50.90
COC1=CC2=NC(NCCCC(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013311755	0	40	0.0	-59.52	325.44	5.92	-53.60
CC1=CC(NCCCC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013311764	1	39	0.0	-63.96	335.69	9.38	-54.58
C[NH+](C)CCCNS(=O)(=O)C1=CC=C(NCCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300013311773	0	50	0.0	-79.24	418.33	5.58	-73.66
O=C([O-])CCCNC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013311784	1	31	0.0	-56.62	278.39	7.09	-49.53
CC1=[NH+]C2=CC=C(Br)C=C2C(NCCCC(=O)[O-])=C1C	REAL300013311800	0	37	0.0	-58.16	316.67	8.23	-49.93
CCOC(=O)C1=C(NCCCC(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013311820	1	43	0.0	-68.54	358.70	6.98	-61.56
CCOC(=O)C1=C(NCCCC(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013311821	1	46	0.0	-62.62	367.08	9.62	-53.00
CC(C)C1OCCCC1NC1=CC(NCCCC(=O)[O-])=[NH+]C=N1	REAL300013311843	0	49	0.0	-54.84	374.39	8.01	-46.83
CC(C)C1OCCCC1NC1=CC(NCCCC(=O)[O-])=NC=[NH+]1	REAL300013311843	1	49	0.0	-56.76	373.16	8.18	-48.58
O=C([O-])CCCNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013311854	0	42	0.0	-61.10	345.89	9.33	-51.77
O=C([O-])CCCNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013311859	1	38	0.0	-47.46	325.30	9.43	-38.03
CCOC(=O)C1=C(C)C2=C(NCCCC(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013311922	1	50	0.0	-65.22	410.58	9.73	-55.49
C[NH+](C)CCNS(=O)(=O)C1=CC=C(NCCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300013311927	0	47	0.0	-79.49	396.83	4.78	-74.71
CCC1=CC(NCCCC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013311965	1	42	0.0	-62.54	357.13	10.10	-52.44
C[NH+](C)CC1=NC(NCCCC(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013311982	1	48	0.0	-61.82	396.95	11.20	-50.62
O=C([O-])CCCNC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013311983	1	31	0.0	-59.18	278.41	7.10	-52.08
O=C([O-])CCCNC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013311987	1	31	0.0	-52.45	275.77	7.19	-45.26
CCOC1=CC2=[NH+]C=CC(NCCCC(=O)[O-])=C2C=C1OCC	REAL300013311993	0	45	0.0	-59.00	359.25	7.57	-51.43
COC1=CC2=[NH+]C=CC(NCCCC(=O)[O-])=C2C=C1Br	REAL300013312015	0	35	0.0	-60.41	306.89	6.46	-53.95
CC1=CC2=C(NCCCC(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013312021	0	44	0.0	-54.01	344.92	9.53	-44.48
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCCCC(=O)[O-])=[NH+]1	REAL300013312040	0	42	0.0	-50.09	346.31	11.37	-38.72
CC1=CC(NCCCC(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013312042	1	42	0.0	-55.17	344.39	11.38	-43.79
O=C([O-])CCCNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013312064	0	35	0.0	-57.94	303.03	6.29	-51.65
COCC(C)(C)[NH+]1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013312072	1	44	0.0	-59.99	344.73	6.71	-53.28
COCC(C)(C)[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013312073	0	47	0.0	-95.67	351.58	7.95	-87.72
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=NC3=C(CCCC3)S2)CC1	REAL300013312075	0	45	0.0	-57.66	359.65	10.30	-47.36
O=C([O-])C1=CC=CC(N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=N1	REAL300013312080	0	45	0.0	-66.07	350.78	9.94	-56.13
O=C([O-])C1=CC=CC(N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=N1	REAL300013312080	1	45	0.0	-63.67	344.99	9.51	-54.16
O=C([O-])C1=CC=CN=C1N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300013312081	0	45	0.0	-60.10	348.69	10.92	-49.18
O=C([O-])C1=CC=CN=C1N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300013312081	1	45	0.0	-56.39	341.90	10.54	-45.85
O=C([O-])C1=CN=C(N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)C(Cl)=C1	REAL300013312082	0	45	0.0	-65.99	360.98	10.31	-55.68
O=C([O-])C1=CN=C(N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)C(Cl)=C1	REAL300013312082	1	45	0.0	-64.94	355.07	9.96	-54.98
O=C([O-])C1=CC=CC(N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=N1	REAL300013312083	0	45	0.0	-66.07	350.78	9.94	-56.13
O=C([O-])C1=CC=CC(N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=N1	REAL300013312083	1	45	0.0	-63.67	344.99	9.51	-54.16
O=C([O-])C1=CC=CC(N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=N1	REAL300013312084	0	45	0.0	-66.07	350.78	9.94	-56.13
O=C([O-])C1=CC=CC(N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=N1	REAL300013312084	1	45	0.0	-63.67	344.99	9.51	-54.16
O=C([O-])C1=CC2=C(N3C[C@H]4CC[N@H+](CC5=CC=CC=C5)[C@H]4C3)N=CNC2=N1	REAL300013312085	0	48	0.0	-106.39	373.56	11.74	-94.65
O=C([O-])C1=CC2=C(N3C[C@H]4CC[N@@H+](CC5=CC=CC=C5)[C@H]4C3)N=CNC2=N1	REAL300013312085	1	48	0.0	-104.68	365.78	11.30	-93.38
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300013312098	0	41	0.0	-58.30	325.56	8.90	-49.40
CC1CCN(C2=CC(N3CCSCC3)=NC=[NH+]2)CC1C(=O)[O-]	REAL300013312104	0	44	0.0	-51.35	338.98	8.71	-42.64
CC1CCN(C2=CC(N3CCSCC3)=[NH+]C=N2)CC1C(=O)[O-]	REAL300013312104	1	44	0.0	-60.10	335.96	8.28	-51.82
CC1CCN(C2=CC(N3CCCCC3)=NC=[NH+]2)CC1C(=O)[O-]	REAL300013312116	0	46	0.0	-48.14	339.69	8.83	-39.31
CC1CCN(C2=CC(N3CCCCC3)=[NH+]C=N2)CC1C(=O)[O-]	REAL300013312116	1	46	0.0	-56.36	335.19	8.68	-47.68
CC1CCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CC1C(=O)[O-]	REAL300013312117	0	50	0.0	-47.50	366.83	5.96	-41.54
CC1CCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CC1C(=O)[O-]	REAL300013312117	1	50	0.0	-63.78	363.55	5.33	-58.45
CCCC1=[NH+]C2=CC=CC=C2C(N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300013312118	0	47	0.0	-51.78	351.62	9.75	-42.03
COC1=CC2=NC(N3CCC(C)C(C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013312142	0	47	0.0	-57.05	363.21	6.33	-50.72
CC1CCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)CC1C(=O)[O-]	REAL300013312149	0	41	0.0	-57.81	331.91	9.11	-48.70
CC1CCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)CC1C(=O)[O-]	REAL300013312156	1	38	0.0	-62.06	314.56	8.77	-53.29
CC1CCN(C2=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N2)CC1C(=O)[O-]	REAL300013312158	1	55	0.0	-51.89	395.16	10.01	-41.88
CC1CCN(C2=CC(N3CCOCC3)=NC=[NH+]2)CC1C(=O)[O-]	REAL300013312165	0	44	0.0	-48.59	320.83	6.05	-42.54
CC1CCN(C2=CC(N3CCOCC3)=[NH+]C=N2)CC1C(=O)[O-]	REAL300013312165	1	44	0.0	-58.58	326.28	6.23	-52.35
CC1=CC(N2CCC(C)C(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013312170	1	46	0.0	-66.12	365.11	10.16	-55.96
CC1CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC1C(=O)[O-]	REAL300013312194	1	38	0.0	-55.65	310.08	8.60	-47.05
CC1CCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)CC1C(=O)[O-]	REAL300013312203	1	38	0.0	-55.77	314.64	8.71	-47.06
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCC(C)C(C(=O)[O-])C2)=C1C	REAL300013312229	0	44	0.0	-59.27	335.46	9.36	-49.91
CC1CCN(C2=CC(N3C=CC=N3)=NC(N)=[NH+]2)CC1C(=O)[O-]	REAL300013312255	0	40	0.0	-44.12	315.90	7.91	-36.21
CC1CCN(C2=[NH+]C=CC(N3CCOCC3)=N2)CC1C(=O)[O-]	REAL300013312258	0	44	0.0	-63.09	322.14	6.56	-56.53
COC1=CC=CC2=C(N3CCC(C)C(C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013312263	1	45	0.0	-50.66	347.50	8.25	-42.41
CCOC(=O)C1=C(N2CCC(C)C(C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013312264	1	50	0.0	-66.22	376.45	8.30	-57.92
CCOC(=O)C1=C(N2CCC(C)C(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013312265	1	53	0.0	-61.53	387.54	11.02	-50.51
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013312277	1	47	0.0	-54.19	351.30	10.77	-43.42
CC(C)C1=NC(N(C)C)=NC(N2CCC(C)C(C(=O)[O-])C2)=[NH+]1	REAL300013312277	1	47	0.0	-49.59	349.14	11.69	-37.90
CC1CCN(C2=CC=[NH+]C(N3CCCCC3)=N2)CC1C(=O)[O-]	REAL300013312283	0	46	0.0	-62.09	337.52	9.22	-52.87
CCC1=C(N2CCC(C)C(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013312293	0	47	0.0	-55.64	335.66	9.43	-46.21
CC1CCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)CC1C(=O)[O-]	REAL300013312299	0	50	0.0	-50.70	369.57	5.28	-45.42
CC1CCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)CC1C(=O)[O-]	REAL300013312299	1	50	0.0	-59.13	362.90	4.78	-54.35
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300013312304	0	43	0.0	-66.37	347.21	9.49	-56.88
CC1CCN(C2=CC(N3CCN(C)C(=O)C3)=NC=[NH+]2)CC1C(=O)[O-]	REAL300013312314	0	47	0.0	-52.17	351.82	6.67	-45.50
CC1CCN(C2=CC(N3CCN(C)C(=O)C3)=[NH+]C=N2)CC1C(=O)[O-]	REAL300013312314	1	47	0.0	-56.35	345.65	5.40	-50.95
CC(C)C1OCCCC1NC1=CC(N2CCC(C)C(C(=O)[O-])C2)=NC=[NH+]1	REAL300013312324	0	56	0.0	-57.38	400.79	8.91	-48.47
CC(C)C1OCCCC1NC1=CC(N2CCC(C)C(C(=O)[O-])C2)=[NH+]C=N1	REAL300013312324	1	56	0.0	-45.22	403.48	9.42	-35.80
CC1CCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)CC1C(=O)[O-]	REAL300013312344	0	49	0.0	-60.63	382.81	10.99	-49.64
CC1CCN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)CC1C(=O)[O-]	REAL300013312349	1	45	0.0	-44.63	361.54	11.04	-33.59
CCCCNC1=CC(N2CCC(C)C(C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013312356	0	47	0.0	-56.67	352.98	7.18	-49.49
CCCCNC1=CC(N2CCC(C)C(C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013312356	1	47	0.0	-44.63	350.33	7.51	-37.12
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013312367	0	50	0.0	-55.09	387.21	8.28	-46.81
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013312367	1	50	0.0	-52.52	379.14	8.05	-44.47
CC(C)NC1=NC(NCCO)=NC(N2CCC(C)C(C(=O)[O-])C2)=[NH+]1	REAL300013312367	1	50	0.0	-49.64	376.67	7.97	-41.67
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013312380	0	52	0.0	-51.47	386.88	12.21	-39.26
CCNC1=NC(NC(C)(C)C)=NC(N2CCC(C)C(C(=O)[O-])C2)=[NH+]1	REAL300013312380	1	52	0.0	-50.49	380.32	12.27	-38.22
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013312380	1	52	0.0	-47.70	377.59	11.96	-35.74
CC(O)C1CCN(C2=CC(N3CCC(C)C(C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013312419	0	50	0.0	-47.02	362.22	5.74	-41.28
CC(O)C1CCN(C2=CC(N3CCC(C)C(C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013312419	1	50	0.0	-62.08	364.60	5.14	-56.94
CC1CCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CC1C(=O)[O-]	REAL300013312421	1	41	0.0	-51.35	326.19	9.42	-41.93
CCCC1=CC2=C(N3CCC(C)C(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013312424	0	47	0.0	-58.60	362.20	10.46	-48.14
CC(C)OC1=CC2=C(N3CCC(C)C(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013312426	0	48	0.0	-62.96	366.66	9.10	-53.86
CC1CCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)CC1C(=O)[O-]	REAL300013312542	1	38	0.0	-62.00	319.12	8.87	-53.13
CCOC1=CC2=[NH+]C=CC(N3CCC(C)C(C(=O)[O-])C3)=C2C=C1OCC	REAL300013312559	0	52	0.0	-60.72	399.97	9.34	-51.38
CCC1=CC(N2CCC(C)C(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013312561	1	46	0.0	-58.14	353.52	8.45	-49.69
COC1=CC2=[NH+]C=CC(N3CCC(C)C(C(=O)[O-])C3)=C2C=C1Br	REAL300013312598	0	42	0.0	-62.44	347.61	8.24	-54.20
CC1CCN(C2=[NH+]C=CC(N3CCCC(C)(C)C3)=N2)CC1C(=O)[O-]	REAL300013312606	0	52	0.0	-64.11	378.55	10.73	-53.38
CC1=CC2=C(N3CCC(C)C(C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013312611	0	51	0.0	-51.88	372.27	10.95	-40.93
CC1=CC(C(F)(F)F)=CC(N2CCC(C)C(C(=O)[O-])C2)=[NH+]1	REAL300013312614	0	38	0.0	-47.94	309.00	8.13	-39.81
CC1CCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CC1C(=O)[O-]	REAL300013312616	1	43	0.0	-58.65	330.99	9.53	-49.12
COC1=CC2=[NH+]C=CC(N3CCC(C)C(C(=O)[O-])C3)=C2C=C1OC	REAL300013312619	0	46	0.0	-60.96	356.26	7.50	-53.46
CC1CCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CC1C(=O)[O-]	REAL300013312647	0	47	0.0	-64.24	359.66	10.36	-53.88
CC1=CC=C2C(N3CCC(C)C(C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013312673	0	44	0.0	-49.24	352.18	9.99	-39.25
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCC(C)C(C(=O)[O-])C2)=N1	REAL300013312675	0	46	0.0	-53.70	358.83	9.61	-44.09
CC1=NC(NC2=CC=CC=C2)=CC(N2CCC(C)C(C(=O)[O-])C2)=[NH+]1	REAL300013312675	1	46	0.0	-41.70	351.66	9.34	-32.36
CC1=[NH+]C=CC(N2CCC(C)C(C(=O)[O-])C2)=C1Br	REAL300013312678	0	35	0.0	-60.29	281.45	6.84	-53.45
CC1CCN(C2=[NH+]C=CC(N(C)C3CCCCC3)=N2)CC1C(=O)[O-]	REAL300013312680	0	52	0.0	-53.59	371.99	10.72	-42.87
CC1=CC(N(C)C(C)C)=NC(N2CCC(C)C(C(=O)[O-])C2)=[NH+]1	REAL300013312681	0	48	0.0	-54.73	350.21	10.17	-44.56
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC(C)C(C(=O)[O-])C2)=[NH+]1	REAL300013312684	0	49	0.0	-62.62	380.91	11.71	-50.91
CC1=CC(N2C=CC=N2)=NC(N2CCC(C)C(C(=O)[O-])C2)=[NH+]1	REAL300013312685	1	41	0.0	-51.83	320.77	8.66	-43.17
CC1=CC(N2CCC(C)C(C(=O)[O-])C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013312688	0	48	0.0	-55.22	351.93	10.23	-44.99
CC1CCN(C2=CC=[NH+]C(N(C)C3CCCCC3)=N2)CC1C(=O)[O-]	REAL300013312691	0	52	0.0	-66.21	379.80	12.30	-53.91
CC1=CC(N2CCC(C)C(C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013312693	1	49	0.0	-57.80	382.12	12.44	-45.36
CC1CCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)CC1C(=O)[O-]	REAL300013312735	0	42	0.0	-46.83	329.25	8.81	-38.02
CC1CCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)CC1C(=O)[O-]	REAL300013312736	0	42	0.0	-57.02	339.28	7.91	-49.11
CC1CCN(C2=CC(N(C)C)=[NH+]C(N(C)C)=N2)CC1C(=O)[O-]	REAL300013312740	1	47	0.0	-54.05	345.39	9.67	-44.38
CC1CCN(C2=CC(N(C)C)=NC(N(C)C)=[NH+]2)CC1C(=O)[O-]	REAL300013312740	1	47	0.0	-46.07	344.63	9.95	-36.12
CC1=C(Cl)C2=[NH+]C=CC(N3CCC(C)C(C(=O)[O-])C3)=C2C=C1	REAL300013312747	1	41	0.0	-53.14	330.88	9.41	-43.73
CC1=[NH+]C2=CC=C(F)C=C2C(NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013312764	0	42	0.0	-51.70	324.93	7.12	-44.58
O=C([O-])C1(CNC2=CC(N3CCSCC3)=NC=[NH+]2)CCOCC1	REAL300013312771	0	45	0.0	-41.48	343.48	7.29	-34.19
O=C([O-])C1(CNC2=CC(N3CCSCC3)=[NH+]C=N2)CCOCC1	REAL300013312771	1	45	0.0	-51.67	344.02	6.80	-44.87
O=C([O-])C1(CNC2=CC(NCC3CC3)=NC=[NH+]2)CCOCC1	REAL300013312780	0	44	0.0	-39.72	336.38	7.01	-32.71
O=C([O-])C1(CNC2=CC(NCC3CC3)=[NH+]C=N2)CCOCC1	REAL300013312780	1	44	0.0	-52.99	337.19	6.99	-46.00
O=C([O-])C1(CNC2=CC(N3CCCC3)=NC=[NH+]2)CCOCC1	REAL300013312791	0	44	0.0	-42.88	328.13	6.64	-36.24
O=C([O-])C1(CNC2=CC(N3CCCC3)=[NH+]C=N2)CCOCC1	REAL300013312791	1	44	0.0	-49.55	327.49	6.31	-43.24
O=C([O-])C1(CNC2=CC(N3CCCCC3)=NC=[NH+]2)CCOCC1	REAL300013312792	0	47	0.0	-44.13	344.98	7.38	-36.75
O=C([O-])C1(CNC2=CC(N3CCCCC3)=[NH+]C=N2)CCOCC1	REAL300013312792	1	47	0.0	-51.52	342.62	7.23	-44.29
O=C([O-])C1(CNC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CCOCC1	REAL300013312793	0	51	0.0	-46.99	376.62	4.68	-42.31
O=C([O-])C1(CNC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CCOCC1	REAL300013312793	1	51	0.0	-55.03	374.26	4.52	-50.51
CCCC1=[NH+]C2=CC=CC=C2C(NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013312794	0	48	0.0	-45.02	359.83	8.61	-36.41
COC1=CC2=NC(NCC3(C(=O)[O-])CCOCC3)=[NH+]C(N)=C2C=C1OC	REAL300013312824	0	48	0.0	-52.44	367.88	5.82	-46.62
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)CCOCC1	REAL300013312837	0	42	0.0	-52.31	335.76	7.47	-44.84
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(Cl)C=C23)CCOCC1	REAL300013312850	1	39	0.0	-54.76	313.93	6.98	-47.78
O=C([O-])C1(CNC2=CC(C(F)(F)F)=CC=[NH+]2)CCOCC1	REAL300013312853	1	36	0.0	-47.54	293.13	6.14	-41.40
CC(C)(C)C1=CC(NCC2(C(=O)[O-])CCOCC2)=NC(C(C)(C)C)=[NH+]1	REAL300013312854	1	56	0.0	-45.48	405.82	9.22	-36.26
O=C([O-])C1(CNC2=CC(N3CCOCC3)=NC=[NH+]2)CCOCC1	REAL300013312862	0	45	0.0	-40.93	335.25	4.95	-35.98
O=C([O-])C1(CNC2=CC(N3CCOCC3)=[NH+]C=N2)CCOCC1	REAL300013312862	1	45	0.0	-51.95	333.68	4.79	-47.16
CC1=CC(NCC2(C(=O)[O-])CCOCC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013312869	1	47	0.0	-58.30	375.78	9.38	-48.92
CC1=CC2=[NH+]C(NCC3(C(=O)[O-])CCOCC3)=CC(C)=C2C=C1	REAL300013312882	1	45	0.0	-39.14	337.49	8.47	-30.67
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(Cl)=CC=C23)CCOCC1	REAL300013312900	1	39	0.0	-50.52	313.92	6.97	-43.55
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(Br)=CC=C23)CCOCC1	REAL300013312913	1	39	0.0	-50.66	318.48	7.07	-43.59
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC2(C(=O)[O-])CCOCC2)=C1C	REAL300013312944	0	45	0.0	-54.95	359.98	8.22	-46.73
CC1=C(NCC2(C(=O)[O-])CCOCC2)C2=CC=CC=C2[NH+]=C1	REAL300013312957	0	42	0.0	-53.85	309.77	6.95	-46.90
CC(O)CNC1=CC(NCC2(C(=O)[O-])CCOCC2)=[NH+]C=N1	REAL300013312967	0	44	0.0	-45.35	338.12	2.87	-42.48
CC(O)CNC1=CC(NCC2(C(=O)[O-])CCOCC2)=NC=[NH+]1	REAL300013312967	1	44	0.0	-53.58	337.81	2.93	-50.65
NC1=[NH+]C(NCC2(C(=O)[O-])CCOCC2)=CC(N2C=CC=N2)=N1	REAL300013312977	0	41	0.0	-43.57	324.91	6.60	-36.97
O=C([O-])C1(CNC2=[NH+]C=CC(N3CCOCC3)=N2)CCOCC1	REAL300013312982	0	45	0.0	-52.59	336.01	5.69	-46.90
COC1=CC=CC2=C(NCC3(C(=O)[O-])CCOCC3)C=C(C)[NH+]=C12	REAL300013312987	1	46	0.0	-43.87	346.86	6.48	-37.39
CCOC(=O)C1=C(NCC2(C(=O)[O-])CCOCC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013312988	1	54	0.0	-61.02	403.70	9.13	-51.89
CCC1=[NH+]C2=CC=CC=C2C(NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013312999	0	45	0.0	-45.07	338.33	7.83	-37.24
O=C([O-])C1(CNC2=CC(C(F)(F)F)=CC=[NH+]2)CCOCC1	REAL300013313003	1	36	0.0	-47.54	293.13	6.14	-41.40
CC(C)C1=[NH+]C(NCC2(C(=O)[O-])CCOCC2)=NC(N(C)C)=N1	REAL300013313013	1	48	0.0	-41.29	360.70	10.83	-30.46
CC(C)C1=NC(NCC2(C(=O)[O-])CCOCC2)=NC(N(C)C)=[NH+]1	REAL300013313013	1	48	0.0	-47.14	360.23	10.79	-36.35
O=C([O-])C1(CNC2=CC=[NH+]C(N3CCCCC3)=N2)CCOCC1	REAL300013313019	0	47	0.0	-52.90	344.92	7.81	-45.09
CCC1=C(NCC2(C(=O)[O-])CCOCC2)C2=CC=CC=C2[NH+]=C1C	REAL300013313032	0	48	0.0	-54.39	346.57	8.05	-46.34
CC1=CC2=CC=CC=C2C(NCC2(C(=O)[O-])CCOCC2)=[NH+]1	REAL300013313034	0	42	0.0	-40.19	320.68	8.15	-32.04
O=C([O-])C1(CNC2=CC(N3CCCCC3CO)=NC=[NH+]2)CCOCC1	REAL300013313040	0	51	0.0	-41.35	374.07	3.86	-37.49
O=C([O-])C1(CNC2=CC(N3CCCCC3CO)=[NH+]C=N2)CCOCC1	REAL300013313040	1	51	0.0	-49.82	377.99	3.95	-45.87
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013313044	0	44	0.0	-60.38	346.58	7.72	-52.66
CC1=[NH+]C2=CC=CC=C2C(NCC2(C(=O)[O-])CCOCC2)=C1C	REAL300013313050	0	45	0.0	-50.85	338.74	7.62	-43.23
CC1=C2[NH+]=CC(C)=C(NCC3(C(=O)[O-])CCOCC3)C2=CC=C1	REAL300013313057	0	45	0.0	-52.85	329.31	7.62	-45.23
O=C([O-])C1(CNC2=CC=[NH+]C=C2Br)CCOCC1	REAL300013313059	1	33	0.0	-56.57	273.00	4.96	-51.61
CN1CCN(C2=CC(NCC3(C(=O)[O-])CCOCC3)=[NH+]C=N2)CC1=O	REAL300013313060	0	48	0.0	-51.09	361.63	5.41	-45.68
CN1CCN(C2=CC(NCC3(C(=O)[O-])CCOCC3)=NC=[NH+]2)CC1=O	REAL300013313060	1	48	0.0	-52.12	354.64	4.59	-47.53
CC(C)C1OCCCC1NC1=CC(NCC2(C(=O)[O-])CCOCC2)=[NH+]C=N1	REAL300013313071	0	57	0.0	-43.78	414.48	8.00	-35.78
CC(C)C1OCCCC1NC1=CC(NCC2(C(=O)[O-])CCOCC2)=NC=[NH+]1	REAL300013313071	1	57	0.0	-51.56	413.25	8.17	-43.39
CCOC(=O)C1=C[NH+]=CC=C1NCC1(C(=O)[O-])CCOCC1	REAL300013313073	1	42	0.0	-66.30	325.89	6.09	-60.21
COC1=CC=CC2=C(NCC3(C(=O)[O-])CCOCC3)C(C)=C[NH+]=C12	REAL300013313082	1	46	0.0	-50.79	339.66	6.30	-44.49
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)CCOCC1	REAL300013313095	0	50	0.0	-56.31	387.60	9.38	-46.93
CCCCNC1=CC(NCC2(C(=O)[O-])CCOCC2)=NC(N)=[NH+]1	REAL300013313110	0	48	0.0	-50.21	363.67	6.38	-43.83
CCCCNC1=CC(NCC2(C(=O)[O-])CCOCC2)=[NH+]C(N)=N1	REAL300013313110	1	48	0.0	-40.89	363.67	6.37	-34.52
O=C([O-])C1(CNC2=CC=[NH+]C=C2Br)CCOCC1	REAL300013313118	1	33	0.0	-56.57	273.00	4.96	-51.61
CC(C)NC1=NC(NCCO)=[NH+]C(NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013313123	0	51	0.0	-42.31	393.57	7.06	-35.25
CC(C)NC1=NC(NCCO)=NC(NCC2(C(=O)[O-])CCOCC2)=[NH+]1	REAL300013313123	1	51	0.0	-40.18	392.91	7.03	-33.15
CC(C)NC1=[NH+]C(NCCO)=NC(NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013313123	1	51	0.0	-49.08	390.50	7.15	-41.93
O=C([O-])C1(CNC2=CC(C(F)(F)F)=CC=[NH+]2)CCOCC1	REAL300013313133	1	36	0.0	-47.54	293.13	6.14	-41.40
CCNC1=[NH+]C(NCC2(C(=O)[O-])CCOCC2)=NC(NC(C)(C)C)=N1	REAL300013313138	0	53	0.0	-41.69	392.39	11.39	-30.30
CCNC1=NC(NCC2(C(=O)[O-])CCOCC2)=NC(NC(C)(C)C)=[NH+]1	REAL300013313138	1	53	0.0	-47.01	394.00	11.47	-35.54
CCNC1=NC(NCC2(C(=O)[O-])CCOCC2)=[NH+]C(NC(C)(C)C)=N1	REAL300013313138	1	53	0.0	-37.67	392.93	10.95	-26.72
CN(C1=CC=CC=C1)C1=CC(NCC2(C(=O)[O-])CCOCC2)=[NH+]C=N1	REAL300013313160	1	47	0.0	-41.03	361.63	9.18	-31.85
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)CCOCC1	REAL300013313185	1	39	0.0	-51.25	318.91	7.05	-44.20
CC(O)C1CCN(C2=CC(NCC3(C(=O)[O-])CCOCC3)=[NH+]C=N2)C1	REAL300013313186	0	51	0.0	-43.77	374.28	4.72	-39.05
CC(O)C1CCN(C2=CC(NCC3(C(=O)[O-])CCOCC3)=NC=[NH+]2)C1	REAL300013313186	1	51	0.0	-53.19	374.96	4.31	-48.88
O=C([O-])C1(CNC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CCOCC1	REAL300013313188	1	42	0.0	-46.82	325.75	8.29	-38.53
CCCC1=CC2=C(NCC3(C(=O)[O-])CCOCC3)C=C[NH+]=C2C=C1	REAL300013313192	0	48	0.0	-51.73	361.58	8.68	-43.05
CCC1=CC2=C(NCC3(C(=O)[O-])CCOCC3)C=C[NH+]=C2C=C1	REAL300013313193	0	45	0.0	-51.63	340.08	7.90	-43.73
CC(C)OC1=CC2=C(NCC3(C(=O)[O-])CCOCC3)C=C[NH+]=C2C=C1	REAL300013313196	0	49	0.0	-56.32	366.36	7.34	-48.98
CC1=CC(NCC2(C(=O)[O-])CCOCC2)=[NH+]C2=CC=CC=C12	REAL300013313232	1	42	0.0	-39.56	316.14	7.81	-31.75
CC1=[NH+]C2=CC=CC=C2C(NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013313257	0	42	0.0	-43.48	317.71	7.06	-36.42
CC1=CC(NCC2(C(=O)[O-])CCOCC2)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013313300	1	44	0.0	-50.72	342.58	6.90	-43.82
CCC1=CC(NCC2(C(=O)[O-])CCOCC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013313302	1	50	0.0	-56.27	397.21	10.11	-46.16
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(Br)C=C23)CCOCC1	REAL300013313325	1	39	0.0	-54.71	318.49	7.08	-47.63
O=C([O-])C1(CNC2=CC=[NH+]C3=C(Br)C=CC=C23)CCOCC1	REAL300013313331	1	39	0.0	-43.69	318.21	7.08	-36.61
CCOC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCOCC3)=C2C=C1OCC	REAL300013313345	0	53	0.0	-49.86	398.51	7.58	-42.28
CCC1=CC(NCC2(C(=O)[O-])CCOCC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013313347	1	47	0.0	-50.11	366.56	7.56	-42.55
O=C([O-])C1(CNC2=[NH+]C=CC(N3CCCC3)=N2)CCOCC1	REAL300013313359	0	44	0.0	-49.21	330.44	7.30	-41.91
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(F)=CC=C23)CCOCC1	REAL300013313380	0	39	0.0	-50.74	303.62	6.54	-44.20
COC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCOCC3)=C2C=C1Br	REAL300013313394	0	43	0.0	-55.56	346.97	6.46	-49.10
O=C([O-])C1(CNC2=[NH+]C=CC3=CC(F)=CC=C32)CCOCC1	REAL300013313397	1	39	0.0	-42.01	302.62	7.77	-34.24
CC1=CC2=C(NCC3(C(=O)[O-])CCOCC3)[NH+]=CC=C2C=C1	REAL300013313398	1	42	0.0	-44.66	318.39	8.34	-36.32
CC1=CC=CC2=C(NCC3(C(=O)[O-])CCOCC3)[NH+]=CC=C12	REAL300013313399	1	42	0.0	-40.68	314.15	8.23	-32.45
CC1(C)CCCN(C2=CC=[NH+]C(NCC3(C(=O)[O-])CCOCC3)=N2)C1	REAL300013313407	0	53	0.0	-53.21	382.84	9.02	-44.19
CC1=CC2=C(NCC3(C(=O)[O-])CCOCC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013313412	0	52	0.0	-47.22	380.50	9.38	-37.84
CC1=CC(C(F)(F)F)=CC(NCC2(C(=O)[O-])CCOCC2)=[NH+]1	REAL300013313415	0	39	0.0	-43.27	314.28	6.71	-36.56
O=C([O-])C1(CNC2=CC(NC3=CC=CC=C3)=NC=[NH+]2)CCOCC1	REAL300013313417	1	44	0.0	-41.41	340.79	8.91	-32.50
O=C([O-])C1(CNC2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CCOCC1	REAL300013313417	1	44	0.0	-53.59	339.17	8.09	-45.50
COC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCOCC3)=C2C=C1OC	REAL300013313421	0	47	0.0	-53.96	355.63	5.72	-48.24
O=C([O-])C1(CNC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CCOCC1	REAL300013313459	0	48	0.0	-53.45	367.07	9.30	-44.15
CC1=CC=C2C(NCC3(C(=O)[O-])CCOCC3)=CC(C)=[NH+]C2=C1Cl	REAL300013313489	0	45	0.0	-42.05	351.54	8.20	-33.85
CC1=NC(NCC2(C(=O)[O-])CCOCC2)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013313491	0	47	0.0	-47.34	361.12	8.48	-38.86
CC1=[NH+]C(NCC2(C(=O)[O-])CCOCC2)=CC(NC2=CC=CC=C2)=N1	REAL300013313491	1	47	0.0	-42.19	362.78	8.86	-33.33
CC1=[NH+]C=CC(NCC2(C(=O)[O-])CCOCC2)=C1Br	REAL300013313494	0	36	0.0	-54.49	291.17	5.44	-49.05
CN(C1=CC=[NH+]C(NCC2(C(=O)[O-])CCOCC2)=N1)C1CCCCC1	REAL300013313496	0	53	0.0	-50.02	382.55	10.70	-39.32
CC1=CC(N(C)C(C)C)=NC(NCC2(C(=O)[O-])CCOCC2)=[NH+]1	REAL300013313497	0	49	0.0	-43.78	363.29	9.27	-34.51
O=C([O-])C1(CNC2=[NH+]C=CC(N3C=CN=C3)=N2)CCOCC1	REAL300013313498	1	39	0.0	-59.64	307.33	9.18	-50.46
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC2(C(=O)[O-])CCOCC2)=[NH+]1	REAL300013313501	0	50	0.0	-49.98	383.94	10.50	-39.48
CC1=CC(N2C=CC=N2)=NC(NCC2(C(=O)[O-])CCOCC2)=[NH+]1	REAL300013313502	1	42	0.0	-47.13	331.37	8.53	-38.60
CC1=CC(NCC2(C(=O)[O-])CCOCC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013313505	0	49	0.0	-49.22	362.63	9.42	-39.80
CN(C1=[NH+]C=CC(NCC2(C(=O)[O-])CCOCC2)=N1)C1CCCCC1	REAL300013313508	0	53	0.0	-53.45	382.72	10.72	-42.73
CC1=CC(NCC2(C(=O)[O-])CCOCC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013313510	1	50	0.0	-49.60	387.89	11.23	-38.37
CC1=CC=CC2=CC=[NH+]C(NCC3(C(=O)[O-])CCOCC3)=C12	REAL300013313533	0	42	0.0	-42.39	305.30	8.57	-33.82
O=C([O-])C1(CNC2=C3C=CNC3=NC(C3CC3)=[NH+]2)CCOCC1	REAL300013313558	0	43	0.0	-40.96	330.34	7.74	-33.22
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)CCOCC1	REAL300013313559	0	43	0.0	-52.15	343.11	6.26	-45.89
CN(C)C1=CC(NCC2(C(=O)[O-])CCOCC2)=[NH+]C(N(C)C)=N1	REAL300013313564	0	48	0.0	-39.22	358.38	8.88	-30.34
CN(C)C1=CC(NCC2(C(=O)[O-])CCOCC2)=NC(N(C)C)=[NH+]1	REAL300013313564	1	48	0.0	-48.17	355.99	8.78	-39.39
CC1=C(Cl)C2=[NH+]C=CC(NCC3(C(=O)[O-])CCOCC3)=C2C=C1	REAL300013313572	1	42	0.0	-41.57	329.43	7.64	-33.93
CC1=CC=[NH+]C(NCCC(C)(C)C(=O)[O-])=C1Br	REAL300013313664	1	34	0.0	-61.10	284.33	7.48	-53.62
CC(C)(CCNC1=CC(N2CCSCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013313668	0	43	0.0	-61.03	336.93	8.18	-52.85
CC(C)(CCNC1=CC(N2CCSCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013313668	1	43	0.0	-63.50	335.95	7.75	-55.75
CC(C)(CCNC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013313675	0	49	0.0	-60.59	369.84	5.59	-55.00
CC(C)(CCNC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013313675	1	49	0.0	-63.70	366.83	5.42	-58.28
CCCC1=[NH+]C2=CC=CC=C2C(NCCC(C)(C)C(=O)[O-])=C1	REAL300013313676	0	46	0.0	-54.60	354.07	9.48	-45.12
COC1=CC=C(NC2=CC(NCCC(C)(C)C(=O)[O-])=[NH+]C=N2)C(OC)=C1	REAL300013313678	1	50	0.0	-62.18	390.44	8.69	-53.49
COC1=CC2=NC(NCCC(C)(C)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013313697	0	46	0.0	-64.17	358.14	6.82	-57.35
CC(C)(CCNC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013313704	0	40	0.0	-62.95	328.96	8.40	-54.55
CC(C)(C)C1=[NH+]C(C(C)(C)C)=NC(NCCC(C)(C)C(=O)[O-])=C1	REAL300013313711	1	54	0.0	-53.79	399.03	10.12	-43.67
CC1=CC(NCCC(C)(C)C(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013313721	1	45	0.0	-68.30	368.98	10.27	-58.03
CC(C)(CCNC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013313750	1	37	0.0	-60.78	311.68	8.00	-52.78
CC1=[NH+]C2=CC=C(Br)C=C2C(NCCC(C)(C)C(=O)[O-])=C1C	REAL300013313773	0	43	0.0	-61.04	349.95	9.11	-51.93
COC1=CC=CC2=C(NCCC(C)(C)C(=O)[O-])C=C(C)[NH+]=C12	REAL300013313800	1	44	0.0	-53.40	340.06	7.38	-46.02
CCOC(=O)C1=C(NCCC(C)(C)C(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013313801	1	49	0.0	-71.45	391.99	7.89	-63.56
CCOC(=O)C1=C(NCCC(C)(C)C(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013313802	1	52	0.0	-65.64	399.78	10.50	-55.14
CCC1=C(NCCC(C)(C)C(=O)[O-])C2=CC=CC=C2[NH+]=C1C	REAL300013313820	0	46	0.0	-58.07	347.25	9.19	-48.88
CC(C)(CCNC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013313824	0	49	0.0	-60.74	367.50	4.74	-56.00
CC(C)(CCNC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013313824	1	49	0.0	-60.98	368.88	4.96	-56.02
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCCC(C)(C)C(=O)[O-])=C1	REAL300013313828	0	42	0.0	-68.64	339.78	8.63	-60.01
CN1CCN(C2=CC(NCCC(C)(C)C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013313836	0	46	0.0	-66.39	354.81	6.31	-60.08
CN1CCN(C2=CC(NCCC(C)(C)C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013313836	1	46	0.0	-63.31	347.93	5.49	-57.82
CC(C)C1OCCCC1NC1=CC(NCCC(C)(C)C(=O)[O-])=[NH+]C=N1	REAL300013313844	0	55	0.0	-58.03	407.09	8.90	-49.13
CC(C)C1OCCCC1NC1=CC(NCCC(C)(C)C(=O)[O-])=NC=[NH+]1	REAL300013313844	1	55	0.0	-60.67	406.45	9.07	-51.60
COC1=CC=CC2=C(NCCC(C)(C)C(=O)[O-])C(C)=C[NH+]=C12	REAL300013313854	1	44	0.0	-58.29	339.17	7.42	-50.87
CC(C)(CCNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013313864	0	48	0.0	-65.31	378.60	10.22	-55.09
CC(C)(CCNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013313870	1	44	0.0	-51.16	358.59	10.33	-40.83
CC(C)NC1=NC(NCCO)=[NH+]C(NCCC(C)(C)C(=O)[O-])=N1	REAL300013313886	0	49	0.0	-54.52	384.40	8.05	-46.47
CC(C)NC1=NC(NCCO)=NC(NCCC(C)(C)C(=O)[O-])=[NH+]1	REAL300013313886	1	49	0.0	-53.12	383.75	8.02	-45.10
CC(C)NC1=[NH+]C(NCCO)=NC(NCCC(C)(C)C(=O)[O-])=N1	REAL300013313886	1	49	0.0	-56.21	383.16	8.01	-48.20
CCNC1=[NH+]C(NCCC(C)(C)C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013313896	0	51	0.0	-52.84	385.59	12.29	-40.55
CCNC1=NC(NCCC(C)(C)C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013313896	1	51	0.0	-53.03	383.41	11.96	-41.07
CCNC1=NC(NCCC(C)(C)C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013313896	1	51	0.0	-52.43	387.20	12.36	-40.07
CN(C1=CC=CC=C1)C1=CC(NCCC(C)(C)C(=O)[O-])=[NH+]C=N1	REAL300013313907	1	45	0.0	-60.26	355.07	10.07	-50.19
CC(C)(CCNC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12)C(=O)[O-]	REAL300013313926	1	37	0.0	-65.25	312.35	7.93	-57.32
CC(O)C1CCN(C2=CC(NCCC(C)(C)C(=O)[O-])=[NH+]C=N2)C1	REAL300013313927	0	49	0.0	-59.33	369.59	5.80	-53.53
CC(O)C1CCN(C2=CC(NCCC(C)(C)C(=O)[O-])=NC=[NH+]2)C1	REAL300013313927	1	49	0.0	-61.38	367.60	5.22	-56.16
CCCC1=CC2=C(NCCC(C)(C)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013313931	0	46	0.0	-59.57	354.19	9.58	-49.99
CC(C)OC1=CC2=C(NCCC(C)(C)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013313933	0	47	0.0	-63.30	358.98	8.24	-55.06
CC1=CC(NCCC(C)(C)C(=O)[O-])=NC(C2=CC=CN=C2)=[NH+]1	REAL300013314017	1	42	0.0	-59.71	335.79	7.80	-51.91
CCC1=CC(NCCC(C)(C)C(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013314018	1	48	0.0	-66.80	390.41	11.00	-55.80
C[NH+](C)CC1=NC(NCCC(C)(C)C(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013314038	1	54	0.0	-65.36	430.27	12.07	-53.29
CC(C)(CCNC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013314039	1	37	0.0	-63.44	311.11	8.00	-55.44
CC(C)(CCNC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013314046	1	37	0.0	-56.36	309.05	8.09	-48.27
CCOC1=CC2=[NH+]C=CC(NCCC(C)(C)C(=O)[O-])=C2C=C1OCC	REAL300013314054	0	51	0.0	-63.10	391.95	8.46	-54.64
CCC1=CC(NCCC(C)(C)C(=O)[O-])=NC(C2=CC=NC=C2)=[NH+]1	REAL300013314056	1	45	0.0	-60.75	357.40	8.55	-52.20
COC1=CC2=[NH+]C=CC(NCCC(C)(C)C(=O)[O-])=C2C=C1Br	REAL300013314089	0	41	0.0	-64.66	340.17	7.36	-57.30
CC(C)(CCNC1=NC(N2CCCC(C)(C)C2)=CC=[NH+]1)C(=O)[O-]	REAL300013314097	0	51	0.0	-60.91	374.63	10.41	-50.50
CC1=CC2=C(NCCC(C)(C)C(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013314102	0	50	0.0	-56.98	378.21	10.45	-46.53
CC(C)(CCNC1=CC(NC2=CC=CC=C2)=NC=[NH+]1)C(=O)[O-]	REAL300013314106	1	42	0.0	-57.59	331.75	9.01	-48.58
CC(C)(CCNC1=CC(NC2=CC=CC=C2)=[NH+]C=N1)C(=O)[O-]	REAL300013314106	1	42	0.0	-61.68	332.37	9.01	-52.67
COC1=CC2=[NH+]C=CC(NCCC(C)(C)C(=O)[O-])=C2C=C1OC	REAL300013314108	0	45	0.0	-63.24	348.83	6.64	-56.60
CC(C)(CCNC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013314131	0	46	0.0	-63.89	359.68	10.18	-53.71
CC1=CC=C2C(NCCC(C)(C)C(=O)[O-])=CC(C)=[NH+]C2=C1Cl	REAL300013314148	0	43	0.0	-52.96	344.75	9.11	-43.85
CC1=NC(NCCC(C)(C)C(=O)[O-])=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013314151	0	45	0.0	-56.32	353.74	9.37	-46.95
CC1=[NH+]C(NCCC(C)(C)C(=O)[O-])=CC(NC2=CC=CC=C2)=N1	REAL300013314151	1	45	0.0	-55.98	355.97	9.76	-46.22
CC1=[NH+]C=CC(NCCC(C)(C)C(=O)[O-])=C1Br	REAL300013314154	0	34	0.0	-63.10	284.37	6.36	-56.74
CN(C1=CC=[NH+]C(NCCC(C)(C)C(=O)[O-])=N1)C1CCCCC1	REAL300013314156	0	51	0.0	-59.14	376.38	11.49	-47.65
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCCC(C)(C)C(=O)[O-])=[NH+]1	REAL300013314159	0	48	0.0	-59.26	377.14	11.39	-47.87
CN(C1=[NH+]C=CC(NCCC(C)(C)C(=O)[O-])=N1)C1CCCCC1	REAL300013314162	0	51	0.0	-61.01	375.34	11.61	-49.40
CC1=CC(NCCC(C)(C)C(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013314164	1	48	0.0	-59.10	377.10	12.27	-46.83
CC(C)(CCNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013314200	0	41	0.0	-62.18	335.74	7.17	-55.01
CC1=C(Cl)C2=[NH+]C=CC(NCCC(C)(C)C(=O)[O-])=C2C=C1	REAL300013314207	1	40	0.0	-56.20	323.46	8.54	-47.66
CCC(CC)(CNC1=CC(C)=[NH+]C2=CC=C(F)C=C12)C(=O)[O-]	REAL300013314218	0	43	0.0	-48.24	325.73	8.81	-39.43
CCC(CC)(CNC1=CC(N2CCSCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013314224	0	46	0.0	-45.09	347.64	9.14	-35.95
CCC(CC)(CNC1=CC(N2CCSCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013314224	1	46	0.0	-52.14	347.59	8.73	-43.41
CCC(CC)(CNC1=CC(N2CCCCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013314238	0	48	0.0	-42.66	348.32	9.26	-33.40
CCC(CC)(CNC1=CC(N2CCCCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013314238	1	48	0.0	-51.83	348.14	8.87	-42.96
CCC(CC)(CNC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013314239	0	52	0.0	-45.35	379.93	6.52	-38.83
CCC(CC)(CNC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013314239	1	52	0.0	-51.66	375.02	6.23	-45.43
CCCC1=[NH+]C2=CC=CC=C2C(NCC(CC)(CC)C(=O)[O-])=C1	REAL300013314240	0	49	0.0	-42.20	362.26	10.25	-31.95
CCC(CC)(CNC1=CC(NC2=CC=C(OC)C=C2OC)=NC=[NH+]1)C(=O)[O-]	REAL300013314243	1	53	0.0	-47.10	403.34	9.44	-37.66
CCC(CC)(CNC1=NC2=CC(OC)=C(OC)C=C2C(N)=[NH+]1)C(=O)[O-]	REAL300013314266	0	49	0.0	-54.07	371.03	7.54	-46.53
CCC(CC)(CNC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013314275	0	43	0.0	-48.43	336.56	9.18	-39.25
CCC(CC)(CNC1=CC=[NH+]C2=CC=C(Cl)C=C12)C(=O)[O-]	REAL300013314284	1	40	0.0	-55.20	319.45	8.62	-46.58
CCC(CC)(CNC1=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N1)C(=O)[O-]	REAL300013314286	1	57	0.0	-45.81	411.33	10.84	-34.97
CCC(CC)(CNC1=CC(N2CCOCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013314293	0	46	0.0	-42.11	336.87	6.64	-35.47
CCC(CC)(CNC1=CC(N2CCOCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013314293	1	46	0.0	-53.40	339.22	6.43	-46.97
CCC(CC)(CNC1=CC(C)=[NH+]C(C2=CC=C([N+](=O)[O-])C=C2)=N1)C(=O)[O-]	REAL300013314298	1	48	0.0	-58.40	381.29	10.99	-47.41
CCC(CC)(CNC1=[NH+]C2=CC(C)=CC=C2C(C)=C1)C(=O)[O-]	REAL300013314309	1	46	0.0	-36.49	339.91	10.15	-26.34
CCC(CC)(CNC1=CC=[NH+]C2=CC(Cl)=CC=C12)C(=O)[O-]	REAL300013314326	1	40	0.0	-50.64	319.43	8.61	-42.03
CCC(CC)(CNC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013314335	1	40	0.0	-50.77	323.99	8.71	-42.06
CCC(CC)(CNC1=C(C)C(C)=[NH+]C2=CC=C(Br)C=C21)C(=O)[O-]	REAL300013314361	0	46	0.0	-57.22	361.16	9.84	-47.38
CCC(CC)(CNC1=CC(N2C=CC=N2)=NC(N)=[NH+]1)C(=O)[O-]	REAL300013314387	0	42	0.0	-43.45	330.41	8.23	-35.22
CCC(CC)(CNC1=[NH+]C=CC(N2CCOCC2)=N1)C(=O)[O-]	REAL300013314390	0	46	0.0	-48.96	336.84	7.38	-41.58
CCC(CC)(CNC1=CC(C)=[NH+]C2=C(OC)C=CC=C12)C(=O)[O-]	REAL300013314395	1	47	0.0	-42.97	350.30	8.32	-34.65
CCOC(=O)C1=C(NCC(CC)(CC)C(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013314396	1	52	0.0	-38.02	383.33	7.32	-30.70
CCOC(=O)C1=C(NCC(CC)(CC)C(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013314397	1	55	0.0	-65.02	406.90	11.37	-53.65
CCC1=[NH+]C2=CC=CC=C2C(NCC(CC)(CC)C(=O)[O-])=C1	REAL300013314402	0	46	0.0	-42.34	340.76	9.48	-32.86
CCC(CC)(CNC1=[NH+]C(C(C)C)=NC(N(C)C)=N1)C(=O)[O-]	REAL300013314410	1	49	0.0	-38.14	361.52	12.54	-25.60
CCC(CC)(CNC1=NC(C(C)C)=[NH+]C(N(C)C)=N1)C(=O)[O-]	REAL300013314410	1	49	0.0	-46.60	364.99	12.56	-34.04
CCC(CC)(CNC1=CC=[NH+]C(N2CCCCC2)=N1)C(=O)[O-]	REAL300013314416	0	48	0.0	-53.12	350.43	9.42	-43.70
CCC1=C(NCC(CC)(CC)C(=O)[O-])C2=CC=CC=C2[NH+]=C1C	REAL300013314426	0	49	0.0	-56.50	356.51	9.84	-46.66
CCC(CC)(CNC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013314432	0	52	0.0	-45.42	380.40	5.47	-39.95
CCC(CC)(CNC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013314432	1	52	0.0	-49.73	378.53	5.94	-43.79
CCC(CC)(CNC1=CC(C)=[NH+]C2=CC=C([N+](=O)[O-])C=C12)C(=O)[O-]	REAL300013314437	0	45	0.0	-61.10	352.08	9.34	-51.76
CCC(CC)(CNC1=C(C)C(C)=[NH+]C2=CC=CC=C21)C(=O)[O-]	REAL300013314441	0	46	0.0	-34.69	324.27	8.36	-26.33
CCC(CC)(CNC1=C(C)C=[NH+]C2=C(C)C=CC=C12)C(=O)[O-]	REAL300013314448	0	46	0.0	-52.64	335.11	9.18	-43.46
CCC(CC)(CNC1=CC=[NH+]C=C1Br)C(=O)[O-]	REAL300013314450	1	34	0.0	-55.59	276.34	6.80	-48.79
CCC(CC)(CNC1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013314451	0	49	0.0	-49.50	364.95	7.26	-42.24
CCC(CC)(CNC1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013314451	1	49	0.0	-54.20	360.23	6.22	-47.98
CCC(CC)(CNC1=CC(NC2CCCOC2C(C)C)=NC=[NH+]1)C(=O)[O-]	REAL300013314462	0	58	0.0	-39.72	414.08	9.87	-29.85
CCC(CC)(CNC1=CC(NC2CCCOC2C(C)C)=[NH+]C=N1)C(=O)[O-]	REAL300013314462	1	58	0.0	-51.83	418.76	9.79	-42.04
CCC(CC)(CNC1=C(C)C=[NH+]C2=C(OC)C=CC=C12)C(=O)[O-]	REAL300013314472	1	47	0.0	-47.47	351.44	8.26	-39.21
CCC(CC)(CNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013314482	0	51	0.0	-53.10	386.78	11.02	-42.08
CCC(CC)(CNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013314488	1	47	0.0	-39.47	370.90	11.05	-28.42
CCCCNC1=CC(NCC(CC)(CC)C(=O)[O-])=NC(N)=[NH+]1	REAL300013314495	0	49	0.0	-50.36	369.18	7.99	-42.37
CCCCNC1=CC(NCC(CC)(CC)C(=O)[O-])=[NH+]C(N)=N1	REAL300013314495	1	49	0.0	-39.57	367.00	8.23	-31.34
CCC(CC)(CNC1=CC=[NH+]C=C1Br)C(=O)[O-]	REAL300013314502	1	34	0.0	-55.59	276.34	6.80	-48.79
CCC(CC)(CNC1=[NH+]C(NCCO)=NC(NC(C)C)=N1)C(=O)[O-]	REAL300013314507	0	52	0.0	-40.51	392.01	8.85	-31.66
CCC(CC)(CNC1=NC(NCCO)=NC(NC(C)C)=[NH+]1)C(=O)[O-]	REAL300013314507	1	52	0.0	-38.13	391.34	8.82	-29.31
CCC(CC)(CNC1=NC(NCCO)=[NH+]C(NC(C)C)=N1)C(=O)[O-]	REAL300013314507	1	52	0.0	-47.71	393.41	8.98	-38.73
CCNC1=[NH+]C(NCC(CC)(CC)C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013314520	0	54	0.0	-38.25	393.19	13.08	-25.17
CCNC1=NC(NCC(CC)(CC)C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013314520	1	54	0.0	-46.08	395.71	12.69	-33.39
CCNC1=NC(NCC(CC)(CC)C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013314520	1	54	0.0	-40.00	396.74	13.29	-26.71
CCC(CC)(CNC1=CC(N(C)C2=CC=CC=C2)=NC=[NH+]1)C(=O)[O-]	REAL300013314535	1	48	0.0	-44.38	367.95	10.79	-33.59
CCC(CC)(CNC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12)C(=O)[O-]	REAL300013314559	1	40	0.0	-55.33	325.24	8.67	-46.66
CCC(CC)(CNC1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013314560	0	52	0.0	-43.83	381.89	6.51	-37.32
CCC(CC)(CNC1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013314560	1	52	0.0	-53.54	380.43	5.95	-47.59
CCC(CC)(CNC1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2)C(=O)[O-]	REAL300013314562	1	43	0.0	-45.03	324.20	10.07	-34.96
CCCC1=CC2=C(NCC(CC)(CC)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013314565	0	49	0.0	-47.99	362.38	10.37	-37.62
CCC1=CC2=C(NCC(CC)(CC)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013314566	0	46	0.0	-51.90	345.58	9.53	-42.37
CCC(CC)(CNC1=CC=[NH+]C2=CC=C(OC(C)C)C=C12)C(=O)[O-]	REAL300013314568	0	50	0.0	-48.71	367.32	9.03	-39.68
CCC(CC)(CNC1=CC(C)=[NH+]C(C2=CC=CN=C2)=N1)C(=O)[O-]	REAL300013314663	1	45	0.0	-47.22	343.39	8.60	-38.62
CCC1=CC(NCC(CC)(CC)C(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013314664	1	51	0.0	-52.95	398.02	11.80	-41.15
CCC(CC)(CNC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013314685	1	40	0.0	-55.08	324.00	8.72	-46.36
CCC(CC)(CNC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013314692	1	40	0.0	-41.73	316.65	8.86	-32.87
CCOC1=CC2=[NH+]C=CC(NCC(CC)(CC)C(=O)[O-])=C2C=C1OCC	REAL300013314703	0	54	0.0	-53.86	404.84	9.18	-44.68
CCC1=CC(NCC(CC)(CC)C(=O)[O-])=NC(C2=CC=NC=C2)=[NH+]1	REAL300013314705	1	48	0.0	-50.20	367.05	9.52	-40.68
CCC(CC)(CNC1=CC=[NH+]C2=CC(OC)=C(Br)C=C12)C(=O)[O-]	REAL300013314742	0	44	0.0	-51.75	347.78	8.14	-43.61
CCC(CC)(CNC1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)C(=O)[O-]	REAL300013314751	0	54	0.0	-48.69	384.28	11.39	-37.30
CCC(CC)(CNC1=C2CCCCC2=[NH+]C2=CC(F)=C(C)C=C21)C(=O)[O-]	REAL300013314756	0	53	0.0	-52.13	387.91	11.09	-41.04
CCC(CC)(CNC1=CC(C(F)(F)F)=CC(C)=[NH+]1)C(=O)[O-]	REAL300013314759	0	40	0.0	-41.83	317.61	8.56	-33.27
CCC(CC)(CNC1=CC(NC2=CC=CC=C2)=NC=[NH+]1)C(=O)[O-]	REAL300013314761	1	45	0.0	-40.04	339.92	9.82	-30.22
CCC(CC)(CNC1=CC(NC2=CC=CC=C2)=[NH+]C=N1)C(=O)[O-]	REAL300013314761	1	45	0.0	-53.38	344.68	9.73	-43.65
CCC(CC)(CNC1=CC=[NH+]C2=CC(OC)=C(OC)C=C12)C(=O)[O-]	REAL300013314764	0	48	0.0	-50.34	356.43	7.42	-42.92
CCC(CC)(CNC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013314793	0	49	0.0	-52.43	372.57	10.92	-41.51
CCC(CC)(CNC1=CC(C)=[NH+]C2=C(Cl)C(C)=CC=C12)C(=O)[O-]	REAL300013314818	0	46	0.0	-42.02	357.05	9.82	-32.20
CCC(CC)(CNC1=CC(NC2=CC=CC=C2)=[NH+]C(C)=N1)C(=O)[O-]	REAL300013314820	0	48	0.0	-43.51	361.92	10.17	-33.34
CCC(CC)(CNC1=CC(NC2=CC=CC=C2)=NC(C)=[NH+]1)C(=O)[O-]	REAL300013314820	1	48	0.0	-41.75	368.29	10.48	-31.27
CCC(CC)(CNC1=CC=[NH+]C(C)=C1Br)C(=O)[O-]	REAL300013314823	0	37	0.0	-53.65	294.50	7.28	-46.37
CCC(CC)(CNC1=[NH+]C=CC(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013314825	0	54	0.0	-48.89	388.68	12.21	-36.68
CCC(CC)(CNC1=[NH+]C(C)=CC(N(C)C(C)C)=N1)C(=O)[O-]	REAL300013314826	0	50	0.0	-42.18	363.28	11.01	-31.17
CCC(CC)(CNC1=[NH+]C(C)=CC(N(C)C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300013314829	0	51	0.0	-49.28	389.45	12.11	-37.17
CCC(CC)(CNC1=[NH+]C(C)=CC(N2C=CC=N2)=N1)C(=O)[O-]	REAL300013314830	1	43	0.0	-45.70	334.22	10.40	-35.30
CCC(CC)(CNC1=CC(C)=[NH+]C(N(C)C(C)C)=N1)C(=O)[O-]	REAL300013314833	0	50	0.0	-49.50	368.13	11.03	-38.47
CCC(CC)(CNC1=CC=[NH+]C(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013314836	0	54	0.0	-50.01	383.51	12.41	-37.60
CCC(CC)(CNC1=CC(C)=[NH+]C(N(C)C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300013314838	1	51	0.0	-52.04	389.99	13.00	-39.04
CCC(CC)(CNC1=C2C=CNC2=NC(C2CC2)=[NH+]1)C(=O)[O-]	REAL300013314881	0	44	0.0	-40.07	333.66	9.57	-30.50
CCC(CC)(CNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013314882	0	44	0.0	-48.26	343.92	7.97	-40.29
CCC(CC)(CNC1=CC(N(C)C)=NC(N(C)C)=[NH+]1)C(=O)[O-]	REAL300013314886	0	49	0.0	-35.80	357.87	10.70	-25.10
CCC(CC)(CNC1=CC(N(C)C)=[NH+]C(N(C)C)=N1)C(=O)[O-]	REAL300013314886	1	49	0.0	-47.25	359.47	10.63	-36.62
CCC(CC)(CNC1=CC=[NH+]C2=C(Cl)C(C)=CC=C12)C(=O)[O-]	REAL300013314893	1	43	0.0	-44.46	333.59	9.47	-34.99
CC[C@@H](NC1=NC2=CC(OC)=C(OC)C=C2C(N)=[NH+]1)C(=O)[O-]	REAL300013314900	0	40	0.0	-38.14	323.66	6.24	-31.90
CC[C@@H](NC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013314915	0	50	0.0	-75.92	413.58	5.77	-70.15
CC[C@@H](NC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013314925	1	31	0.0	-41.81	276.72	7.30	-34.51
CC[C@@H](NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013314965	0	42	0.0	-45.89	344.24	9.54	-36.35
CCOC(=O)C1=C(C)C2=C(N[C@H](CC)C(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013315010	1	50	0.0	-48.61	409.41	10.03	-38.58
CC[C@@H](NC1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013315015	0	47	0.0	-76.79	392.32	4.94	-71.85
CC[C@@H](NC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013315055	1	48	0.0	-55.54	387.99	11.19	-44.35
CC[C@@H](NC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013315056	1	31	0.0	-44.51	276.71	7.29	-37.22
CC[C@@H](NC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013315059	1	31	0.0	-38.25	274.07	7.37	-30.88
CCOC1=CC2=[NH+]C=CC(N[C@H](CC)C(=O)[O-])=C2C=C1OCC	REAL300013315064	0	45	0.0	-44.45	357.31	7.81	-36.64
CC[C@@H](NC1=CC=[NH+]C2=CC(OC)=C(Br)C=C12)C(=O)[O-]	REAL300013315082	0	35	0.0	-44.78	305.19	6.64	-38.14
CC[C@@H](NC1=[NH+]C(C)=CC(N(C)C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300013315103	0	42	0.0	-31.33	344.78	11.64	-19.69
CC[C@@H](NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013315119	0	35	0.0	-42.31	301.11	6.53	-35.78
COC(=O)[C@@H]1CN(C2=[NH+]C=CC=C2C(=O)[O-])C[C@H]1C1=CC=C(F)C=C1F	REAL300013315130	1	42	0.0	-69.07	352.74	10.31	-58.76
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1	REAL300013315135	0	46	0.0	-44.64	344.43	9.15	-35.49
CC1=[NH+]C2=CC=C(F)C=C2C(NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300013315145	0	40	0.0	-42.10	336.66	8.56	-33.54
O=C([O-])C(CC1=CC=NC=C1)NC1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013315150	0	43	0.0	-41.68	355.76	8.77	-32.91
O=C([O-])C(CC1=CC=NC=C1)NC1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013315150	1	43	0.0	-44.65	354.78	8.36	-36.29
O=C([O-])C(CC1=CC=NC=C1)NC1=CC(NCC2CC2)=NC=[NH+]1	REAL300013315160	0	42	0.0	-40.88	348.66	8.50	-32.38
O=C([O-])C(CC1=CC=NC=C1)NC1=CC(NCC2CC2)=[NH+]C=N1	REAL300013315160	1	42	0.0	-44.95	348.69	8.49	-36.46
O=C([O-])C(CC1=CC=NC=C1)NC1=CC(N2CCCC2)=NC=[NH+]1	REAL300013315170	0	42	0.0	-40.98	339.59	8.15	-32.83
O=C([O-])C(CC1=CC=NC=C1)NC1=CC(N2CCCC2)=[NH+]C=N1	REAL300013315170	1	42	0.0	-44.15	339.20	7.76	-36.39
O=C([O-])C(CC1=CC=NC=C1)NC1=CC(N2CCCCC2)=NC=[NH+]1	REAL300013315171	0	45	0.0	-42.28	356.43	8.91	-33.37
O=C([O-])C(CC1=CC=NC=C1)NC1=CC(N2CCCCC2)=[NH+]C=N1	REAL300013315171	1	45	0.0	-43.60	354.31	8.68	-34.92
O=C([O-])C(CC1=CC=NC=C1)NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013315172	0	49	0.0	-45.25	388.05	6.19	-39.06
O=C([O-])C(CC1=CC=NC=C1)NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013315172	1	49	0.0	-46.65	385.90	5.97	-40.68
COC1=CC2=NC(NC(CC3=CC=NC=C3)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013315190	0	46	0.0	-37.74	377.45	7.45	-30.29
O=C([O-])C(CC1=CC=NC=C1)NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12	REAL300013315197	0	40	0.0	-42.40	347.30	8.98	-33.42
O=C([O-])C(CC1=CC=NC=C1)NC1=CC=[NH+]C2=CC=C(Cl)C=C12	REAL300013315208	1	37	0.0	-43.53	325.48	8.49	-35.04
O=C([O-])C(CC1=CC=NC=C1)NC1=CC(N2CCOCC2)=NC=[NH+]1	REAL300013315216	0	43	0.0	-41.83	347.76	6.40	-35.43
O=C([O-])C(CC1=CC=NC=C1)NC1=CC(N2CCOCC2)=[NH+]C=N1	REAL300013315216	1	43	0.0	-46.05	345.35	6.25	-39.80
CC1=CC2=[NH+]C(NC(CC3=CC=NC=C3)C(=O)[O-])=CC(C)=C2C=C1	REAL300013315239	1	43	0.0	-34.57	349.98	9.89	-24.68
O=C([O-])C(CC1=CC=NC=C1)NC1=CC=[NH+]C2=CC(Cl)=CC=C12	REAL300013315256	1	37	0.0	-41.21	325.46	8.48	-32.73
O=C([O-])C(CC1=CC=NC=C1)NC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013315265	1	37	0.0	-41.14	330.03	8.59	-32.55
CC(C)(C)C1=[NH+]C=CC(NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013315282	1	42	0.0	-41.94	340.44	8.31	-33.63
NC1=[NH+]C(NC(CC2=CC=NC=C2)C(=O)[O-])=CC(N2C=CC=N2)=N1	REAL300013315299	1	39	0.0	-45.16	335.81	8.08	-37.08
O=C([O-])C(CC1=CC=NC=C1)NC1=[NH+]C=CC(N2CCOCC2)=N1	REAL300013315301	0	43	0.0	-36.45	347.13	7.17	-29.28
COC1=CC=CC2=C(NC(CC3=CC=NC=C3)C(=O)[O-])C=C(C)[NH+]=C12	REAL300013315304	1	44	0.0	-37.41	358.40	7.98	-29.43
CC(C)C1=[NH+]C(NC(CC2=CC=NC=C2)C(=O)[O-])=NC(N(C)C)=N1	REAL300013315324	1	46	0.0	-29.39	373.06	12.32	-17.07
CC(C)C1=NC(NC(CC2=CC=NC=C2)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013315324	1	46	0.0	-43.12	373.08	12.33	-30.79
O=C([O-])C(CC1=CC=NC=C1)NC1=CC=[NH+]C(N2CCCCC2)=N1	REAL300013315331	0	45	0.0	-41.25	356.61	9.25	-32.00
O=C([O-])C(CC1=CC=NC=C1)NC1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013315342	0	49	0.0	-42.73	386.59	5.31	-37.42
O=C([O-])C(CC1=CC=NC=C1)NC1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013315342	1	49	0.0	-47.21	387.37	5.51	-41.70
CC(C)(C)C1=[NH+]C=CC(NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013315348	1	42	0.0	-41.94	340.44	8.31	-33.63
O=C([O-])C(CC1=CC=NC=C1)NC1=CC=[NH+]C=C1Br	REAL300013315358	1	31	0.0	-46.41	284.74	6.42	-39.99
O=C([O-])C(CC1=CC=NC=C1)NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013315379	0	48	0.0	-44.53	397.53	10.83	-33.70
CCCCNC1=CC(NC(CC2=CC=NC=C2)C(=O)[O-])=[NH+]C(N)=N1	REAL300013315390	0	46	0.0	-37.12	374.59	7.84	-29.28
CCCCNC1=CC(NC(CC2=CC=NC=C2)C(=O)[O-])=NC(N)=[NH+]1	REAL300013315390	1	46	0.0	-41.75	375.12	7.87	-33.88
O=C([O-])C(CC1=CC=NC=C1)NC1=CC=[NH+]C=C1Br	REAL300013315396	1	31	0.0	-46.41	284.74	6.42	-39.99
CC(C)NC1=NC(NCCO)=[NH+]C(NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013315401	0	49	0.0	-28.98	403.07	8.67	-20.31
CC(C)NC1=NC(NCCO)=NC(NC(CC2=CC=NC=C2)C(=O)[O-])=[NH+]1	REAL300013315401	1	49	0.0	-29.34	402.49	8.66	-20.68
CC(C)NC1=[NH+]C(NCCO)=NC(NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013315401	1	49	0.0	-44.64	402.95	8.67	-35.97
CCNC1=[NH+]C(NC(CC2=CC=NC=C2)C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013315413	0	51	0.0	-28.36	404.01	12.93	-15.43
CCNC1=NC(NC(CC2=CC=NC=C2)C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013315413	1	51	0.0	-28.79	405.64	13.02	-15.77
CCNC1=NC(NC(CC2=CC=NC=C2)C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013315413	1	51	0.0	-41.40	402.37	12.66	-28.74
CN(C1=CC=CC=C1)C1=CC(NC(CC2=CC=NC=C2)C(=O)[O-])=[NH+]C=N1	REAL300013315429	1	45	0.0	-44.84	373.91	10.68	-34.16
O=C([O-])C(CC1=CC=NC=C1)NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12	REAL300013315448	1	37	0.0	-43.05	331.22	8.54	-34.51
CC(O)C1CCN(C2=CC(NC(CC3=CC=NC=C3)C(=O)[O-])=[NH+]C=N2)C1	REAL300013315449	0	49	0.0	-42.27	385.83	6.45	-35.82
CC(O)C1CCN(C2=CC(NC(CC3=CC=NC=C3)C(=O)[O-])=NC=[NH+]2)C1	REAL300013315449	1	49	0.0	-47.62	386.39	5.84	-41.78
O=C([O-])C(CC1=CC=NC=C1)NC1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2	REAL300013315452	1	40	0.0	-34.55	335.04	9.96	-24.59
CCCC1=CC2=C(NC(CC3=CC=NC=C3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013315454	0	46	0.0	-42.21	373.35	10.13	-32.08
CCC1=CC2=C(NC(CC3=CC=NC=C3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013315455	0	43	0.0	-42.24	351.87	9.34	-32.90
CC(C)OC1=CC2=C(NC(CC3=CC=NC=C3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013315459	0	47	0.0	-44.34	377.89	8.83	-35.51
O=C([O-])C(CC1=CC=NC=C1)NC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013315558	1	37	0.0	-43.32	330.04	8.60	-34.72
O=C([O-])C(CC1=CC=NC=C1)NC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013315563	1	37	0.0	-37.95	327.40	8.68	-29.27
CCOC1=CC2=[NH+]C=CC(NC(CC3=CC=NC=C3)C(=O)[O-])=C2C=C1OCC	REAL300013315575	0	51	0.0	-43.84	410.83	9.06	-34.78
O=C([O-])C(CC1=CC=NC=C1)NC1=[NH+]C=CC(N2CCCC2)=N1	REAL300013315585	0	42	0.0	-34.30	339.70	8.95	-25.35
O=C([O-])C(CC1=CC=NC=C1)NC1=CC=[NH+]C2=CC(F)=CC=C12	REAL300013315602	0	37	0.0	-41.55	315.17	8.05	-33.50
CC1(C)CCCN(C2=CC=[NH+]C(NC(CC3=CC=NC=C3)C(=O)[O-])=N2)C1	REAL300013315621	0	51	0.0	-34.44	393.30	11.02	-23.42
CC1=CC(C(F)(F)F)=CC(NC(CC2=CC=NC=C2)C(=O)[O-])=[NH+]1	REAL300013315627	1	37	0.0	-42.30	325.96	8.19	-34.11
COC1=CC2=[NH+]C=CC(NC(CC3=CC=NC=C3)C(=O)[O-])=C2C=C1OC	REAL300013315632	0	45	0.0	-44.59	367.41	7.17	-37.42
O=C([O-])C(CC1=CC=NC=C1)NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013315659	0	46	0.0	-37.05	378.93	10.80	-26.25
CC1=[NH+]C(NC2=CC=CC=C2)=CC(NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300013315691	1	45	0.0	-38.50	372.90	9.91	-28.59
CC1=NC(NC2=CC=CC=C2)=CC(NC(CC2=CC=NC=C2)C(=O)[O-])=[NH+]1	REAL300013315691	1	45	0.0	-39.03	374.47	10.31	-28.72
CC1=[NH+]C=CC(NC(CC2=CC=NC=C2)C(=O)[O-])=C1Br	REAL300013315694	0	34	0.0	-43.69	302.73	6.95	-36.74
CN(C1=CC=[NH+]C(NC(CC2=CC=NC=C2)C(=O)[O-])=N1)C1CCCCC1	REAL300013315696	0	51	0.0	-33.86	394.26	12.07	-21.79
CC1=CC(N(C)C(C)C)=NC(NC(CC2=CC=NC=C2)C(=O)[O-])=[NH+]1	REAL300013315697	0	47	0.0	-32.79	374.37	10.84	-21.95
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC(CC2=CC=NC=C2)C(=O)[O-])=[NH+]1	REAL300013315701	0	48	0.0	-31.16	398.02	12.94	-18.22
CC1=CC(N2C=CC=N2)=NC(NC(CC2=CC=NC=C2)C(=O)[O-])=[NH+]1	REAL300013315702	1	40	0.0	-33.12	343.06	10.10	-23.02
CC1=CC(NC(CC2=CC=NC=C2)C(=O)[O-])=NC(N(C)C(C)C)=[NH+]1	REAL300013315705	0	47	0.0	-39.81	374.30	10.86	-28.95
CN(C1=[NH+]C=CC(NC(CC2=CC=NC=C2)C(=O)[O-])=N1)C1CCCCC1	REAL300013315708	0	51	0.0	-42.15	394.48	12.15	-30.00
O=C([O-])C(CC1=CC=NC=C1)NC1=C2C=CNC2=NC(C2CC2)=[NH+]1	REAL300013315740	1	41	0.0	-32.74	341.96	9.30	-23.44
O=C([O-])C(CC1=CC=NC=C1)NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013315741	0	41	0.0	-42.10	354.90	7.73	-34.37
CN(C)C1=CC(NC(CC2=CC=NC=C2)C(=O)[O-])=[NH+]C(N(C)C)=N1	REAL300013315748	0	46	0.0	-36.21	370.52	10.43	-25.78
CN(C)C1=CC(NC(CC2=CC=NC=C2)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013315748	1	46	0.0	-40.30	367.21	10.21	-30.09
CC1=C(Cl)C2=[NH+]C=CC(NC(CC3=CC=NC=C3)C(=O)[O-])=C2C=C1	REAL300013315754	1	40	0.0	-38.03	341.99	9.07	-28.96
O=C([O-])C1=CC=CC(N2CCCC([NH+]3CCOCC3)CC2)=N1	REAL300013315758	0	45	0.0	-72.62	324.68	6.49	-66.13
O=C([O-])C1=CC=CN=C1N1CCCC([NH+]2CCOCC2)CC1	REAL300013315759	0	45	0.0	-57.47	327.72	7.80	-49.67
O=C([O-])C1=CN=C(N2CCCC([NH+]3CCOCC3)CC2)C(Cl)=C1	REAL300013315760	0	45	0.0	-65.44	337.60	6.38	-59.06
O=C([O-])C1=CC=CC(N2CCCC([NH+]3CCOCC3)CC2)=N1	REAL300013315761	0	45	0.0	-72.62	324.68	6.49	-66.13
O=C([O-])C1=CC=CC(N2CCCC([NH+]3CCOCC3)CC2)=N1	REAL300013315762	0	45	0.0	-72.62	324.68	6.49	-66.13
O=C([O-])C1=CC2=C(N3CCCC([NH+]4CCOCC4)CC3)N=CNC2=N1	REAL300013315763	0	48	0.0	-105.78	351.31	8.73	-97.05
CC1CN(C2=[NH+]C=CC=C2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300013315767	0	39	0.0	-45.55	319.29	10.79	-34.76
CC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013315779	0	47	0.0	-98.01	363.35	8.07	-89.94
CC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013315779	1	47	0.0	-98.50	353.60	7.71	-90.79
O=C([O-])CC1(NC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CCC1	REAL300013315800	0	47	0.0	-43.85	354.99	5.72	-38.13
O=C([O-])CC1(NC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CCC1	REAL300013315800	1	47	0.0	-48.41	350.47	5.60	-42.81
O=C([O-])CC1(NC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)CCC1	REAL300013315813	0	38	0.0	-46.85	312.45	8.58	-38.27
O=C([O-])CC1(NC2=CC=[NH+]C3=CC(Br)=CC=C23)CCC1	REAL300013315850	1	35	0.0	-45.42	294.80	8.19	-37.23
COC1=CC=CC2=C(NC3(CC(=O)[O-])CCC3)C=C(C)[NH+]=C12	REAL300013315872	1	42	0.0	-39.92	323.15	7.56	-32.36
O=C([O-])CC1(NC2=CC(N3CCCCC3CO)=NC=[NH+]2)CCC1	REAL300013315883	0	47	0.0	-40.99	350.96	4.90	-36.09
O=C([O-])CC1(NC2=CC(N3CCCCC3CO)=[NH+]C=N2)CCC1	REAL300013315883	1	47	0.0	-46.82	351.72	5.10	-41.72
CN1CCN(C2=CC(NC3(CC(=O)[O-])CCC3)=[NH+]C=N2)CC1=O	REAL300013315893	0	44	0.0	-45.75	340.19	6.43	-39.32
CN1CCN(C2=CC(NC3(CC(=O)[O-])CCC3)=NC=[NH+]2)CC1=O	REAL300013315893	1	44	0.0	-49.44	331.06	5.67	-43.77
O=C([O-])CC1(NC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)CCC1	REAL300013315908	0	46	0.0	-51.27	361.86	10.53	-40.74
CC(C)NC1=[NH+]C(NCCO)=NC(NC2(CC(=O)[O-])CCC2)=N1	REAL300013315916	0	47	0.0	-44.92	369.88	8.69	-36.23
CC(C)NC1=NC(NCCO)=[NH+]C(NC2(CC(=O)[O-])CCC2)=N1	REAL300013315916	1	47	0.0	-37.24	368.41	8.52	-28.72
CC(C)NC1=NC(NCCO)=NC(NC2(CC(=O)[O-])CCC2)=[NH+]1	REAL300013315916	1	47	0.0	-37.80	366.07	8.54	-29.26
CN(C1=CC=CC=C1)C1=CC(NC2(CC(=O)[O-])CCC2)=[NH+]C=N1	REAL300013315926	1	43	0.0	-44.49	338.29	10.20	-34.29
CC(O)C1CCN(C2=CC(NC3(CC(=O)[O-])CCC3)=[NH+]C=N2)C1	REAL300013315939	0	47	0.0	-42.67	354.63	5.87	-36.80
CC(O)C1CCN(C2=CC(NC3(CC(=O)[O-])CCC3)=NC=[NH+]2)C1	REAL300013315939	1	47	0.0	-47.64	349.93	5.39	-42.25
CC(C)OC1=CC2=C(NC3(CC(=O)[O-])CCC3)C=C[NH+]=C2C=C1	REAL300013315943	0	45	0.0	-50.40	343.55	8.59	-41.81
C[NH+](C)CC1=NC(NC2(CC(=O)[O-])CCC2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013316025	1	52	0.0	-53.31	410.21	12.62	-40.69
O=C([O-])CC1(NC2=CC=[NH+]C3=CC=C(Br)C=C23)CCC1	REAL300013316026	1	35	0.0	-48.55	294.25	8.25	-40.30
CCOC1=CC2=[NH+]C=CC(NC3(CC(=O)[O-])CCC3)=C2C=C1OCC	REAL300013316038	0	49	0.0	-48.78	375.62	8.65	-40.13
COC1=CC2=[NH+]C=CC(NC3(CC(=O)[O-])CCC3)=C2C=C1Br	REAL300013316062	0	39	0.0	-48.66	322.98	7.70	-40.96
CC1(C)CCCN(C2=CC=[NH+]C(NC3(CC(=O)[O-])CCC3)=N2)C1	REAL300013316067	0	49	0.0	-42.19	358.40	10.97	-31.22
COC1=CC2=[NH+]C=CC(NC3(CC(=O)[O-])CCC3)=C2C=C1OC	REAL300013316074	0	43	0.0	-48.89	331.91	6.81	-42.08
O=C([O-])CC1(NC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CCC1	REAL300013316087	0	44	0.0	-46.94	344.50	10.68	-36.26
CC1=[NH+]C(NC2=CC=CC=C2)=CC(NC2(CC(=O)[O-])CCC2)=N1	REAL300013316104	1	43	0.0	-41.75	338.21	9.61	-32.14
CC1=NC(NC2=CC=CC=C2)=CC(NC2(CC(=O)[O-])CCC2)=[NH+]1	REAL300013316104	1	43	0.0	-40.41	337.41	9.88	-30.53
CN(C1=CC=[NH+]C(NC2(CC(=O)[O-])CCC2)=N1)C1CCCCC1	REAL300013316107	0	49	0.0	-43.79	359.98	12.15	-31.64
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC2(CC(=O)[O-])CCC2)=[NH+]1	REAL300013316110	0	46	0.0	-42.10	360.50	11.99	-30.11
CN(C1=[NH+]C=CC(NC2(CC(=O)[O-])CCC2)=N1)C1CCCCC1	REAL300013316113	0	49	0.0	-48.09	358.39	11.80	-36.29
O=C([O-])CC1(NC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)CCC1	REAL300013316136	0	39	0.0	-46.58	319.44	7.38	-39.20
CC1=C(Cl)C2=[NH+]C=CC(NC3(CC(=O)[O-])CCC3)=C2C=C1	REAL300013316140	1	38	0.0	-40.07	306.26	8.88	-31.19
COC1=CC=C(N(C)CCN(C)C2=[NH+]C=CC=C2C(=O)[O-])C=C1	REAL300013316142	0	44	0.0	-51.01	347.55	8.73	-42.28
CC1=CN=C(OC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)N=C1	REAL300013316148	0	41	0.0	-57.68	332.66	5.79	-51.89
CCC1=CSC(CC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013316154	0	44	0.0	-48.39	356.96	9.66	-38.73
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CCC2=CC=C(F)C=C2F)CC1	REAL300013316160	0	45	0.0	-56.12	362.97	12.18	-43.94
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=NC3=NC=CC=C3C=C2)CC1	REAL300013316166	0	43	0.0	-54.18	343.49	9.79	-44.39
CCC(C)(C)[NH+]1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013316171	0	43	0.0	-58.76	327.34	7.98	-50.78
CCC(C)(C)[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013316172	0	46	0.0	-94.58	334.20	9.23	-85.35
O=C([O-])C1=CC2=C(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)N=CNC2=N1	REAL300013316177	0	39	0.0	-97.36	307.32	5.08	-92.28
O=C([O-])C1=CC2=C(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)N=CNC2=N1	REAL300013316177	1	39	0.0	-98.53	304.16	4.61	-93.92
CC[C@H](NC1=NC2=CC(OC)=C(OC)C=C2C(N)=[NH+]1)C(=O)[O-]	REAL300013316182	0	40	0.0	-38.05	323.90	6.21	-31.84
CC[C@H](NC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013316197	0	50	0.0	-78.12	415.84	5.81	-72.31
CC[C@H](NC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013316207	1	31	0.0	-41.84	276.71	7.30	-34.54
CC[C@H](NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013316247	0	42	0.0	-44.68	345.06	9.61	-35.07
CCOC(=O)C1=C(C)C2=C(N[C@@H](CC)C(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013316292	1	50	0.0	-56.12	408.65	10.02	-46.10
CC[C@H](NC1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013316297	0	47	0.0	-78.71	394.34	5.03	-73.68
CC[C@H](NC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013316337	1	48	0.0	-50.04	395.88	11.47	-38.57
CC[C@H](NC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013316338	1	31	0.0	-43.75	275.95	7.33	-36.42
CC[C@H](NC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013316341	1	31	0.0	-37.67	273.29	7.41	-30.26
CCOC1=CC2=[NH+]C=CC(N[C@@H](CC)C(=O)[O-])=C2C=C1OCC	REAL300013316346	0	45	0.0	-44.75	357.57	7.78	-36.97
CC[C@H](NC1=CC=[NH+]C2=CC(OC)=C(Br)C=C12)C(=O)[O-]	REAL300013316364	0	35	0.0	-44.79	305.21	6.65	-38.14
CC[C@H](NC1=[NH+]C(C)=CC(N(C)C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300013316385	0	42	0.0	-33.83	342.08	10.80	-23.03
CC[C@H](NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013316401	0	35	0.0	-42.63	301.35	6.49	-36.14
CC(C)C[N@H+](C)CCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013316419	0	45	0.0	-102.21	354.25	9.13	-93.08
CC(C)C[N@@H+](C)CCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013316419	1	45	0.0	-102.56	354.06	9.15	-93.41
O=C([O-])C1CC(=O)N(C2CCN(C3=CC=[NH+]C4=CC=CC=C43)CC2)C1	REAL300013316438	0	46	0.0	-62.74	350.04	8.04	-54.70
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300013316444	0	49	0.0	-65.07	379.00	8.71	-56.36
CCC1=[NH+]C(C)=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013316450	1	48	0.0	-60.27	368.77	8.02	-52.25
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(N4CCSCC4)=NC=[NH+]3)CC2)C1	REAL300013316455	0	52	0.0	-67.12	399.25	9.02	-58.10
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(N4CCSCC4)=[NH+]C=N3)CC2)C1	REAL300013316455	1	52	0.0	-66.94	400.63	8.74	-58.20
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(NCC4CC4)=[NH+]C=N3)CC2)C1	REAL300013316468	0	51	0.0	-66.90	394.47	8.88	-58.02
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(NCC4CC4)=NC=[NH+]3)CC2)C1	REAL300013316468	1	51	0.0	-59.77	390.87	8.70	-51.07
CC1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=CC=[NH+]1	REAL300013316475	0	43	0.0	-65.82	330.12	6.44	-59.38
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(N4CCCC4)=[NH+]C=N3)CC2)C1	REAL300013316481	0	51	0.0	-63.47	384.82	8.20	-55.27
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(N4CCCC4)=NC=[NH+]3)CC2)C1	REAL300013316481	1	51	0.0	-62.26	383.04	8.39	-53.87
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(N4CCCCC4)=[NH+]C=N3)CC2)C1	REAL300013316482	0	54	0.0	-64.01	399.96	9.13	-54.88
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(N4CCCCC4)=NC=[NH+]3)CC2)C1	REAL300013316482	1	54	0.0	-64.02	399.90	9.13	-54.89
CCCC1=[NH+]C2=CC=CC=C2C(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300013316484	0	55	0.0	-59.66	415.52	10.17	-49.49
O=C([O-])C1CC(=O)N(C2CCN(C3=CC=[NH+]C=C3Cl)CC2)C1	REAL300013316492	1	40	0.0	-73.73	329.11	6.81	-66.92
CC1=CC=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=[NH+]1	REAL300013316504	1	43	0.0	-59.82	329.93	7.27	-52.55
CC1=CC=[NH+]C(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300013316533	1	43	0.0	-63.53	330.27	7.53	-56.00
O=C([O-])C1CC(=O)N(C2CCN(C3=CC=[NH+]C4=CC=C(Cl)C=C43)CC2)C1	REAL300013316544	1	46	0.0	-68.92	368.00	8.58	-60.34
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(C(F)(F)F)=CC=[NH+]3)CC2)C1	REAL300013316546	1	43	0.0	-70.47	348.06	7.88	-62.59
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(N4CCOCC4)=NC=[NH+]3)CC2)C1	REAL300013316557	0	52	0.0	-66.07	391.01	6.67	-59.40
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(N4CCOCC4)=[NH+]C=N3)CC2)C1	REAL300013316557	1	52	0.0	-65.34	390.99	6.68	-58.66
CC1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=NC(C)=[NH+]1	REAL300013316563	1	45	0.0	-60.58	348.23	7.30	-53.28
CC1=CC2=[NH+]C(N3CCC(N4CC(C(=O)[O-])CC4=O)CC3)=CC(C)=C2C=C1	REAL300013316593	1	52	0.0	-56.24	393.80	10.01	-46.23
O=C([O-])C1CC(=O)N(C2CCN(C3=CC=[NH+]C4=CC(Cl)=CC=C43)CC2)C1	REAL300013316618	1	46	0.0	-65.98	367.95	8.58	-57.40
CN(C)C1=[NH+]C=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013316637	0	47	0.0	-66.47	360.96	9.13	-57.34
CCC1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=NC(C)=[NH+]1	REAL300013316655	1	48	0.0	-59.63	369.66	8.02	-51.61
O=C([O-])C1CC(=O)N(C2CCN(C3=C4SC=CC4=[NH+]C=C3)CC2)C1	REAL300013316663	1	43	0.0	-63.37	340.10	6.57	-56.80
CC1=[NH+]C(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C2C=CNC2=N1	REAL300013316672	0	46	0.0	-56.48	350.08	7.18	-49.30
CC1=C(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)C2=CC=CC=C2[NH+]=C1	REAL300013316674	0	49	0.0	-64.08	366.86	8.82	-55.26
CC(O)CNC1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=NC=[NH+]1	REAL300013316681	0	51	0.0	-67.64	395.42	4.76	-62.88
CC(O)CNC1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=[NH+]C=N1	REAL300013316681	1	51	0.0	-61.69	391.49	4.63	-57.06
NC1=[NH+]C(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=CC(N2C=CC=N2)=N1	REAL300013316688	0	48	0.0	-61.34	379.85	8.33	-53.01
CN(C)C1=CC=[NH+]C(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013316691	0	47	0.0	-63.81	360.77	8.75	-55.06
O=C([O-])C1CC(=O)N(C2CCN(C3=[NH+]C=CC(N4CCOCC4)=N3)CC2)C1	REAL300013316696	0	52	0.0	-67.97	393.36	7.21	-60.76
COC1=CC=CC2=C(N3CCC(N4CC(C(=O)[O-])CC4=O)CC3)C=C(C)[NH+]=C12	REAL300013316704	1	53	0.0	-57.85	400.92	8.07	-49.78
CCC1=[NH+]C2=CC=CC=C2C(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300013316715	0	52	0.0	-59.54	394.02	9.39	-50.15
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(C(F)(F)F)=CC=[NH+]3)CC2)C1	REAL300013316718	1	43	0.0	-70.47	348.06	7.88	-62.59
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013316730	1	55	0.0	-56.48	416.90	12.10	-44.38
CC(C)C1=NC(N(C)C)=NC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=[NH+]1	REAL300013316730	1	55	0.0	-52.75	417.29	12.25	-40.50
O=C([O-])C1CC(=O)N(C2CCN(C3=CC=[NH+]C(N4CCCCC4)=N3)CC2)C1	REAL300013316739	0	54	0.0	-62.86	402.23	9.68	-53.18
NC(=O)C1=C[NH+]=CC=C1N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300013316747	0	44	0.0	-87.72	345.34	3.91	-83.81
CCC1=C(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)C2=CC=CC=C2[NH+]=C1C	REAL300013316749	0	55	0.0	-57.64	406.28	10.11	-47.53
CC1=CC2=CC=CC=C2C(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=[NH+]1	REAL300013316751	0	49	0.0	-58.44	372.73	9.76	-48.68
CC1=[NH+]C=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1Cl	REAL300013316752	0	43	0.0	-68.05	341.37	6.95	-61.10
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300013316762	0	51	0.0	-73.97	400.64	9.30	-64.67
CC1=[NH+]C2=CC=CC=C2C(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1C	REAL300013316768	0	52	0.0	-57.23	384.80	9.37	-47.86
CC1=C2[NH+]=CC(C)=C(N3CCC(N4CC(C(=O)[O-])CC4=O)CC3)C2=CC=C1	REAL300013316776	0	52	0.0	-62.49	384.85	9.57	-52.92
O=C([O-])C1CC(=O)N(C2CCN(C3=CC=[NH+]C=C3Br)CC2)C1	REAL300013316777	1	40	0.0	-73.54	333.50	6.97	-66.57
CC1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=CC=[NH+]1	REAL300013316790	0	43	0.0	-65.82	330.12	6.44	-59.38
CCOC(=O)C1=C[NH+]=CC=C1N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300013316794	1	49	0.0	-82.98	387.46	8.64	-74.34
CC1=C[NH+]=CC=C1N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300013316807	0	43	0.0	-69.29	333.31	7.13	-62.16
CCCCNC1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=NC(N)=[NH+]1	REAL300013316826	0	55	0.0	-59.19	419.76	8.22	-50.97
CCCCNC1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=[NH+]C(N)=N1	REAL300013316826	1	55	0.0	-59.00	418.59	8.08	-50.92
O=C([O-])C1CC(=O)N(C2CCN(C3=CC=[NH+]C=C3Br)CC2)C1	REAL300013316831	1	40	0.0	-73.54	333.50	6.97	-66.57
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(C(F)(F)F)=CC=[NH+]3)CC2)C1	REAL300013316845	1	43	0.0	-70.47	348.06	7.88	-62.59
O=C([O-])C1CC(=O)N(C2CCN(C3=[NH+]C=NC4=C3C3=C(C=CC=C3)N4)CC2)C1	REAL300013316901	1	49	0.0	-62.10	377.32	9.61	-52.49
CCCC1=CC2=C(N3CCC(N4CC(C(=O)[O-])CC4=O)CC3)C=C[NH+]=C2C=C1	REAL300013316905	0	55	0.0	-65.23	415.64	10.28	-54.95
CCC1=CC2=C(N3CCC(N4CC(C(=O)[O-])CC4=O)CC3)C=C[NH+]=C2C=C1	REAL300013316906	0	52	0.0	-65.08	394.14	9.50	-55.58
CC(C)OC1=CC2=C(N3CCC(N4CC(C(=O)[O-])CC4=O)CC3)C=C[NH+]=C2C=C1	REAL300013316909	0	56	0.0	-69.08	420.44	8.92	-60.16
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(NC4CC4)=[NH+]C=N3)CC2)C1	REAL300013316914	0	48	0.0	-66.51	372.17	8.18	-58.33
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(NC4CC4)=NC=[NH+]3)CC2)C1	REAL300013316914	1	48	0.0	-59.70	368.54	7.98	-51.72
CC1=[NH+]C2=CC=CC=C2C(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300013316943	0	49	0.0	-60.52	372.59	8.65	-51.87
O=C([O-])C1CC(=O)N(C2CCN(C3=C4C=CNC4=NC=[NH+]3)CC2)C1	REAL300013316987	0	43	0.0	-61.19	329.76	7.30	-53.89
CCC1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013317002	1	54	0.0	-62.19	420.27	9.47	-52.72
CC(C)C1=[NH+]C=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013317010	1	48	0.0	-66.13	365.50	7.76	-58.37
O=C([O-])C1CC(=O)N(C2CCN(C3=[NH+]C=CC(N4CCCC4)=N3)CC2)C1	REAL300013317011	0	51	0.0	-60.33	385.35	8.93	-51.40
CC1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=NC=[NH+]1	REAL300013317015	1	42	0.0	-67.94	327.86	7.42	-60.52
O=C([O-])C1CC(=O)N(C2CCN(C3=CC=[NH+]C4=CC(F)=CC=C43)CC2)C1	REAL300013317027	0	46	0.0	-66.21	357.65	8.15	-58.06
CC1=CC2=C(N3CCC(N4CC(C(=O)[O-])CC4=O)CC3)[NH+]=CC=C2C=C1	REAL300013317044	1	49	0.0	-59.60	372.77	9.84	-49.76
CC1=CC=CC2=C(N3CCC(N4CC(C(=O)[O-])CC4=O)CC3)[NH+]=CC=C12	REAL300013317045	1	49	0.0	-59.18	369.32	9.71	-49.47
CC1=CC(C(F)(F)F)=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=[NH+]1	REAL300013317054	0	46	0.0	-61.93	369.21	8.43	-53.50
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(NC4=CC=CC=C4)=[NH+]C=N3)CC2)C1	REAL300013317057	1	51	0.0	-67.03	396.50	9.99	-57.04
COC1=CC2=[NH+]C=CC(N3CCC(N4CC(C(=O)[O-])CC4=O)CC3)=C2C=C1OC	REAL300013317061	0	54	0.0	-66.59	408.46	7.28	-59.31
COC1=C(N)[NH+]=CN=C1N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300013317084	0	45	0.0	-67.86	351.34	5.39	-62.47
COC1=C(N)N=C[NH+]=C1N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300013317084	1	45	0.0	-65.38	350.35	5.17	-60.21
O=C([O-])C1CC(=O)N(C2CCN(C3=C4SC=CC4=[NH+]C=C3)CC2)C1	REAL300013317095	1	43	0.0	-63.37	340.10	6.57	-56.80
COC1=CC=C[NH+]=C1N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300013317105	1	44	0.0	-68.78	342.39	6.19	-62.59
O=C([O-])C1CC(=O)N(C2CCN(C3=CC=[NH+]C(CO)=C3)CC2)C1	REAL300013317106	0	44	0.0	-70.04	339.35	3.26	-66.78
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013317144	0	54	0.0	-57.45	417.23	10.32	-47.13
CC1=NC(NC2=CC=CC=C2)=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=[NH+]1	REAL300013317144	1	54	0.0	-60.52	415.63	9.76	-50.76
CC1=[NH+]C=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1Br	REAL300013317147	0	43	0.0	-67.83	344.67	7.07	-60.76
CN(C)C1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=NC=[NH+]1	REAL300013317149	0	47	0.0	-65.60	357.90	8.33	-57.27
CN(C)C1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=[NH+]C=N1	REAL300013317149	1	47	0.0	-59.45	356.66	8.26	-51.19
CC1=CC(N(C)C(C)C)=NC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=[NH+]1	REAL300013317150	0	56	0.0	-55.36	419.18	10.78	-44.58
CC1=CC(N2C=CC=N2)=NC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=[NH+]1	REAL300013317153	1	49	0.0	-58.63	387.41	10.03	-48.60
CC1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013317156	0	56	0.0	-57.35	418.70	11.26	-46.09
CC1=CC=CC2=CC=[NH+]C(N3CCC(N4CC(C(=O)[O-])CC4=O)CC3)=C12	REAL300013317191	1	49	0.0	-59.53	371.12	11.47	-48.06
CC1=[NH+]C(N)=NC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013317198	0	43	0.0	-62.45	338.11	7.96	-54.49
CC1=NC(N)=NC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=[NH+]1	REAL300013317198	1	43	0.0	-57.37	336.95	7.90	-49.47
CC1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=NC=[NH+]1	REAL300013317206	1	42	0.0	-67.94	327.86	7.42	-60.52
O=C([O-])C1CC(=O)N(C2CCN(C3=CC(CO)=CC=[NH+]3)CC2)C1	REAL300013317216	1	44	0.0	-61.47	340.48	4.14	-57.33
O=C([O-])C1CC(=O)N(C2CCN(C3=C4C=CNC4=NC(C4CC4)=[NH+]3)CC2)C1	REAL300013317220	0	50	0.0	-56.07	379.74	8.81	-47.26
CN(C)C1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=NC(N(C)C)=[NH+]1	REAL300013317226	1	55	0.0	-57.31	410.30	10.61	-46.70
CN(C)C1=CC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=[NH+]C(N(C)C)=N1	REAL300013317226	1	55	0.0	-56.27	411.95	10.68	-45.59
CC1=C(Cl)C2=[NH+]C=CC(N3CCC(N4CC(C(=O)[O-])CC4=O)CC3)=C2C=C1	REAL300013317233	1	49	0.0	-59.36	383.08	9.19	-50.17
COC1=CC=C(NC2=CC(NCC(C)C(=O)[O-])=[NH+]C=N2)C(OC)=C1	REAL300013317243	1	44	0.0	-54.81	354.79	7.73	-47.08
COC1=CC2=NC(NCC(C)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013317252	0	40	0.0	-47.02	322.49	5.85	-41.17
CC1=CC(NCC(C)C(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013317261	1	39	0.0	-54.82	331.86	9.29	-45.53
CC(CNC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013317270	0	50	0.0	-73.43	413.64	5.49	-67.94
CC(CNC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013317281	1	31	0.0	-50.16	276.26	7.04	-43.12
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC(C)C(=O)[O-])=C1C	REAL300013317297	0	37	0.0	-53.79	313.15	8.14	-45.65
CCOC(=O)C1=C(NCC(C)C(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013317317	1	43	0.0	-64.06	354.73	6.88	-57.18
CCOC(=O)C1=C(NCC(C)C(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013317318	1	46	0.0	-58.47	362.99	9.49	-48.98
CC(C)C1OCCCC1NC1=NC=[NH+]C(NCC(C)C(=O)[O-])=C1	REAL300013317340	0	49	0.0	-48.77	371.06	8.11	-40.66
CC(C)C1OCCCC1NC1=[NH+]C=NC(NCC(C)C(=O)[O-])=C1	REAL300013317340	1	49	0.0	-49.73	370.21	8.10	-41.63
CC(CNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013317351	0	42	0.0	-52.77	342.94	9.26	-43.51
CC(CNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013317356	1	38	0.0	-42.24	323.16	9.37	-32.87
CCOC(=O)C1=C(C)C2=C(NCC(C)C(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013317419	1	50	0.0	-55.95	406.74	9.62	-46.33
CC(CNC1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013317424	0	47	0.0	-73.48	391.33	4.70	-68.78
CCC1=CC(NCC(C)C(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013317462	1	42	0.0	-53.61	354.18	10.04	-43.57
CC(CNC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013317479	1	48	0.0	-54.90	386.33	10.77	-44.13
CC(CNC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013317480	1	31	0.0	-52.16	276.27	7.05	-45.11
CC(CNC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013317484	1	31	0.0	-46.48	273.63	7.13	-39.35
CCOC1=CC2=[NH+]C=CC(NCC(C)C(=O)[O-])=C2C=C1OCC	REAL300013317490	0	45	0.0	-51.68	356.29	7.50	-44.18
COC1=CC2=[NH+]C=CC(NCC(C)C(=O)[O-])=C2C=C1Br	REAL300013317512	0	35	0.0	-52.92	304.75	6.40	-46.52
CC1=CC2=C(NCC(C)C(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013317518	0	44	0.0	-50.23	341.22	9.44	-40.79
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC(C)C(=O)[O-])=[NH+]1	REAL300013317537	0	42	0.0	-42.87	340.03	10.39	-32.48
CC1=CC(NCC(C)C(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013317539	1	42	0.0	-46.77	340.56	11.29	-35.48
CC(CNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013317561	0	35	0.0	-51.25	300.89	6.23	-45.02
CC(C)C(CNC1=CC(N2CCSCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013317576	0	43	0.0	-42.17	334.76	8.45	-33.72
CC(C)C(CNC1=CC(N2CCSCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013317576	1	43	0.0	-49.60	337.12	8.09	-41.51
CC(C)C(CNC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013317583	0	49	0.0	-47.36	372.29	5.79	-41.57
CC(C)C(CNC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013317583	1	49	0.0	-51.65	363.66	5.71	-45.94
CCCC1=[NH+]C2=CC=CC=C2C(NCC(C(=O)[O-])C(C)C)=C1	REAL300013317584	0	46	0.0	-46.35	357.15	9.68	-36.67
COC1=CC=C(NC2=CC(NCC(C(=O)[O-])C(C)C)=[NH+]C=N2)C(OC)=C1	REAL300013317586	1	50	0.0	-47.80	393.56	8.92	-38.88
COC1=CC2=NC(NCC(C(=O)[O-])C(C)C)=[NH+]C(N)=C2C=C1OC	REAL300013317605	0	46	0.0	-52.70	354.96	7.10	-45.60
CC(C)C(CNC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013317612	0	40	0.0	-50.42	325.20	8.66	-41.76
CC(C)C(CNC1=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N1)C(=O)[O-]	REAL300013317619	1	54	0.0	-45.79	401.53	10.34	-35.45
CC1=CC(NCC(C(=O)[O-])C(C)C)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013317629	1	45	0.0	-56.52	365.22	10.55	-45.97
CC(C)C(CNC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013317658	1	37	0.0	-50.82	314.18	8.20	-42.62
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC(C(=O)[O-])C(C)C)=C1C	REAL300013317681	0	43	0.0	-54.30	352.81	9.35	-44.95
COC1=CC=CC2=C(NCC(C(=O)[O-])C(C)C)C=C(C)[NH+]=C12	REAL300013317708	1	44	0.0	-43.95	342.57	7.59	-36.36
CCOC(=O)C1=C(NCC(C(=O)[O-])C(C)C)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013317709	1	49	0.0	-63.57	384.65	7.88	-55.69
CCOC(=O)C1=C(NCC(C(=O)[O-])C(C)C)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013317710	1	52	0.0	-65.58	404.64	10.79	-54.79
CCC1=C(NCC(C(=O)[O-])C(C)C)C2=CC=CC=C2[NH+]=C1C	REAL300013317728	0	46	0.0	-51.12	349.00	9.39	-41.73
CC(C)C(CNC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013317732	0	49	0.0	-44.17	364.33	5.03	-39.14
CC(C)C(CNC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013317732	1	49	0.0	-49.85	365.04	5.22	-44.63
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC(C(=O)[O-])C(C)C)=C1	REAL300013317736	0	42	0.0	-56.18	337.03	8.88	-47.30
CC(C)C(CNC1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013317744	0	46	0.0	-49.38	351.05	6.57	-42.81
CC(C)C(CNC1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013317744	1	46	0.0	-50.49	344.13	5.77	-44.72
CC(C)C(CNC1=CC(NC2CCCOC2C(C)C)=NC=[NH+]1)C(=O)[O-]	REAL300013317752	0	55	0.0	-41.71	402.73	9.34	-32.37
CC(C)C(CNC1=CC(NC2CCCOC2C(C)C)=[NH+]C=N1)C(=O)[O-]	REAL300013317752	1	55	0.0	-51.85	408.95	9.28	-42.57
COC1=CC=CC2=C(NCC(C(=O)[O-])C(C)C)C(C)=C[NH+]=C12	REAL300013317762	1	44	0.0	-48.81	332.39	7.59	-41.22
CC(C)C(CNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013317772	0	48	0.0	-57.25	381.68	10.44	-46.81
CC(C)C(CNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013317778	1	44	0.0	-38.20	354.83	10.60	-27.60
CC(C)NC1=NC(NCCO)=[NH+]C(NCC(C(=O)[O-])C(C)C)=N1	REAL300013317794	0	49	0.0	-42.60	386.91	8.27	-34.33
CC(C)NC1=NC(NCCO)=NC(NCC(C(=O)[O-])C(C)C)=[NH+]1	REAL300013317794	1	49	0.0	-41.33	379.99	8.30	-33.03
CC(C)NC1=[NH+]C(NCCO)=NC(NCC(C(=O)[O-])C(C)C)=N1	REAL300013317794	1	49	0.0	-48.05	379.99	8.30	-39.75
CCNC1=[NH+]C(NCC(C(=O)[O-])C(C)C)=NC(NC(C)(C)C)=N1	REAL300013317804	0	51	0.0	-40.39	381.83	12.56	-27.83
CCNC1=NC(NCC(C(=O)[O-])C(C)C)=NC(NC(C)(C)C)=[NH+]1	REAL300013317804	1	51	0.0	-46.29	385.91	12.20	-34.09
CCNC1=NC(NCC(C(=O)[O-])C(C)C)=[NH+]C(NC(C)(C)C)=N1	REAL300013317804	1	51	0.0	-40.93	390.14	12.57	-28.36
CC(C)C(CNC1=CC(N(C)C2=CC=CC=C2)=NC=[NH+]1)C(=O)[O-]	REAL300013317815	1	45	0.0	-43.49	350.27	10.31	-33.18
CC(C)C(CNC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12)C(=O)[O-]	REAL300013317834	1	37	0.0	-55.20	315.43	8.15	-47.05
CC(C)C(CNC1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013317835	0	49	0.0	-46.71	369.76	6.13	-40.58
CC(C)C(CNC1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013317835	1	49	0.0	-53.77	370.63	5.44	-48.33
CCCC1=CC2=C(NCC(C(=O)[O-])C(C)C)C=C[NH+]=C2C=C1	REAL300013317839	0	46	0.0	-51.96	357.28	9.79	-42.17
CC(C)OC1=CC2=C(NCC(C(=O)[O-])C(C)C)C=C[NH+]=C2C=C1	REAL300013317841	0	47	0.0	-52.86	356.80	8.49	-44.37
CC1=CC(NCC(C(=O)[O-])C(C)C)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013317925	1	42	0.0	-47.29	333.03	8.07	-39.22
CCC1=CC(NCC(C(=O)[O-])C(C)C)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013317926	1	48	0.0	-56.44	392.92	11.21	-45.23
CC(C)C(CNC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013317946	1	54	0.0	-57.68	425.57	12.02	-45.66
CC(C)C(CNC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013317947	1	37	0.0	-55.03	314.19	8.20	-46.83
CC(C)C(CNC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013317954	1	37	0.0	-42.01	306.30	8.34	-33.67
CCOC1=CC2=[NH+]C=CC(NCC(C(=O)[O-])C(C)C)=C2C=C1OCC	REAL300013317962	0	51	0.0	-50.19	389.78	8.72	-41.47
CCC1=CC(NCC(C(=O)[O-])C(C)C)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013317964	1	45	0.0	-51.51	359.90	8.76	-42.75
COC1=CC2=[NH+]C=CC(NCC(C(=O)[O-])C(C)C)=C2C=C1Br	REAL300013317997	0	41	0.0	-51.69	337.42	7.62	-44.07
CC(C)C(CNC1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)C(=O)[O-]	REAL300013318005	0	51	0.0	-50.12	377.12	10.63	-39.49
CC1=CC2=C(NCC(C(=O)[O-])C(C)C)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013318010	0	50	0.0	-46.84	370.93	10.53	-36.31
CC(C)C(CNC1=CC(NC2=CC=CC=C2)=NC=[NH+]1)C(=O)[O-]	REAL300013318014	1	42	0.0	-45.19	334.83	9.22	-35.97
CC(C)C(CNC1=CC(NC2=CC=CC=C2)=[NH+]C=N1)C(=O)[O-]	REAL300013318014	1	42	0.0	-54.27	334.88	9.23	-45.04
COC1=CC2=[NH+]C=CC(NCC(C(=O)[O-])C(C)C)=C2C=C1OC	REAL300013318016	0	45	0.0	-50.45	346.08	6.89	-43.56
CC(C)C(CNC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013318039	0	46	0.0	-48.66	357.51	10.44	-38.22
CC1=CC=C2C(NCC(C(=O)[O-])C(C)C)=CC(C)=[NH+]C2=C1Cl	REAL300013318056	0	43	0.0	-42.17	347.25	9.33	-32.84
CC1=NC(NCC(C(=O)[O-])C(C)C)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013318059	0	45	0.0	-47.59	356.82	9.60	-37.99
CC1=[NH+]C(NCC(C(=O)[O-])C(C)C)=CC(NC2=CC=CC=C2)=N1	REAL300013318059	1	45	0.0	-40.52	351.49	10.18	-30.34
CC1=[NH+]C=CC(NCC(C(=O)[O-])C(C)C)=C1Br	REAL300013318062	0	34	0.0	-50.94	281.63	6.61	-44.33
CC(C)C(CNC1=[NH+]C=CC(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013318064	0	51	0.0	-48.75	378.89	11.71	-37.04
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC(C(=O)[O-])C(C)C)=[NH+]1	REAL300013318067	0	48	0.0	-46.55	372.46	11.67	-34.88
CC(C)C(CNC1=CC=[NH+]C(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013318070	0	51	0.0	-52.02	372.15	11.89	-40.13
CC1=CC(NCC(C(=O)[O-])C(C)C)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013318072	1	48	0.0	-51.92	380.18	12.49	-39.43
CC(C)C(CNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013318108	0	41	0.0	-52.16	338.81	7.40	-44.76
CC1=C(Cl)C2=[NH+]C=CC(NCC(C(=O)[O-])C(C)C)=C2C=C1	REAL300013318115	1	40	0.0	-41.99	320.70	8.79	-33.20
CC1=[NH+]C2=CC=C(F)C=C2C(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300013318124	0	47	0.0	-57.97	356.39	9.55	-48.42
CC(NC1=CC(NCC2CC2)=[NH+]C=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318137	0	49	0.0	-60.02	368.75	9.44	-50.58
CC(NC1=CC(NCC2CC2)=NC=[NH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318137	1	49	0.0	-59.27	368.59	9.45	-49.82
CC(NC1=CC(N2CCCCC2)=NC=[NH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318147	0	52	0.0	-61.55	379.99	10.23	-51.32
CC(NC1=CC(N2CCCCC2)=[NH+]C=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318147	1	52	0.0	-57.36	374.51	9.74	-47.62
CC(NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318148	0	56	0.0	-64.68	412.60	7.00	-57.68
CC(NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318148	1	56	0.0	-64.32	405.60	6.95	-57.37
CC(NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318170	0	47	0.0	-61.78	370.33	10.34	-51.44
CC(NC1=CC=[NH+]C2=CC=C(Cl)C=C12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318182	1	44	0.0	-60.68	348.74	9.85	-50.83
CC(NC1=CC(C(F)(F)F)=CC=[NH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318184	1	41	0.0	-66.13	324.12	8.54	-57.59
CC(NC1=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318185	1	61	0.0	-51.91	438.94	11.78	-40.13
CC1=CC2=[NH+]C(NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=CC(C)=C2C=C1	REAL300013318211	1	50	0.0	-53.54	373.98	11.27	-42.27
CC(NC1=CC=[NH+]C2=CC(Cl)=CC=C12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318229	1	44	0.0	-59.50	348.51	9.85	-49.65
CC(NC1=CC=[NH+]C2=CC(Br)=CC=C12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318236	1	44	0.0	-59.60	353.05	9.95	-49.65
CC(NC1=C2SC=CC2=[NH+]C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318251	1	41	0.0	-58.23	325.68	8.42	-49.81
CC(NC1=CC=[NH+]C(C(C)(C)C)=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318255	1	49	0.0	-58.82	360.06	9.30	-49.52
CC(O)CNC1=CC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=NC=[NH+]1	REAL300013318263	0	49	0.0	-61.15	369.54	5.33	-55.82
CC(O)CNC1=CC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=[NH+]C=N1	REAL300013318263	1	49	0.0	-60.50	372.84	5.77	-54.73
CC(NC1=CC(N2C=CC=N2)=NC(N)=[NH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318269	0	46	0.0	-62.35	356.27	9.04	-53.31
CC(NC1=[NH+]C=CC(N2CCOCC2)=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318271	0	50	0.0	-59.00	368.54	8.30	-50.70
COC1=CC=CC2=C(NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C(C)[NH+]=C12	REAL300013318275	1	51	0.0	-53.33	381.44	9.34	-43.99
CC(NC1=CC(C(F)(F)F)=CC=[NH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318285	1	41	0.0	-66.13	324.12	8.54	-57.59
CC(C)C1=[NH+]C(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=NC(N(C)C)=N1	REAL300013318294	1	53	0.0	-49.94	396.52	13.69	-36.25
CC(C)C1=NC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=NC(N(C)C)=[NH+]1	REAL300013318294	1	53	0.0	-54.83	397.96	13.58	-41.25
CC(NC1=CC=[NH+]C(N2CCCCC2)=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318301	0	52	0.0	-57.91	376.82	10.31	-47.60
CC(NC1=CC(N2CCCCC2CO)=NC=[NH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318312	0	56	0.0	-62.84	409.44	6.66	-56.18
CC(NC1=CC(N2CCCCC2CO)=[NH+]C=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318312	1	56	0.0	-60.10	410.46	6.87	-53.23
CC(NC1=CC=[NH+]C(C(C)(C)C)=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318318	1	49	0.0	-58.82	360.06	9.30	-49.52
CC(NC1=CC=[NH+]C=C1Br)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318327	1	38	0.0	-62.40	304.45	7.41	-54.99
CC(NC1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318328	0	53	0.0	-71.28	396.24	8.20	-63.08
CC(NC1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318328	1	53	0.0	-58.47	389.73	7.42	-51.05
CC(NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318346	0	55	0.0	-62.25	421.88	12.25	-50.00
CCCCNC1=CC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=NC(N)=[NH+]1	REAL300013318356	0	53	0.0	-56.05	395.61	8.89	-47.16
CCCCNC1=CC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=[NH+]C(N)=N1	REAL300013318356	1	53	0.0	-55.85	395.01	8.81	-47.04
CC(C)NC1=[NH+]C(NCCO)=NC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013318366	0	56	0.0	-56.79	423.42	9.69	-47.10
CC(C)NC1=NC(NCCO)=[NH+]C(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013318366	1	56	0.0	-52.78	423.79	9.78	-43.00
CC(C)NC1=NC(NCCO)=NC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=[NH+]1	REAL300013318366	1	56	0.0	-50.08	426.43	9.81	-40.27
CC(NC1=CC(C(F)(F)F)=CC=[NH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318373	1	41	0.0	-66.13	324.12	8.54	-57.59
CC(NC1=CC(N(C)C2=CC=CC=C2)=NC=[NH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318393	1	52	0.0	-65.13	397.40	12.02	-53.11
CC(NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318412	1	44	0.0	-62.82	354.30	9.91	-52.91
CC(O)C1CCN(C2=CC(NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=[NH+]C=N2)C1	REAL300013318413	0	56	0.0	-61.09	413.03	7.46	-53.63
CC(O)C1CCN(C2=CC(NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=NC=[NH+]2)C1	REAL300013318413	1	56	0.0	-57.81	411.19	6.99	-50.82
CC(NC1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318416	1	47	0.0	-57.10	355.08	10.92	-46.18
CCCC1=CC2=C(NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C[NH+]=C2C=C1	REAL300013318418	0	53	0.0	-57.78	396.17	11.54	-46.24
CCC1=CC2=C(NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C[NH+]=C2C=C1	REAL300013318419	0	50	0.0	-57.68	374.67	10.76	-46.92
CC(C)OC1=CC2=C(NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C=C[NH+]=C2C=C1	REAL300013318423	0	54	0.0	-59.79	401.70	10.21	-49.58
CC(NC1=CC(NC2CC2)=[NH+]C=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318430	0	46	0.0	-59.17	349.97	9.14	-50.03
CC(NC1=CC(NC2CC2)=NC=[NH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318430	1	46	0.0	-59.81	349.36	9.10	-50.71
CC1=CC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013318500	1	49	0.0	-56.98	377.69	9.74	-47.24
CCC1=CC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013318501	1	55	0.0	-64.22	428.61	12.53	-51.69
CC(NC1=CC=[NH+]C2=CC=C(Br)C=C12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318518	1	44	0.0	-60.71	353.29	9.96	-50.75
CC(NC1=CC=[NH+]C2=C(Br)C=CC=C12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318523	1	44	0.0	-56.21	347.23	9.61	-46.60
CCOC1=CC2=[NH+]C=CC(NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=C2C=C1OCC	REAL300013318534	0	58	0.0	-61.60	433.91	10.43	-51.17
CCC1=CC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013318536	1	52	0.0	-58.38	395.59	10.08	-48.30
CC(NC1=[NH+]C=CC(N2CCCC2)=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318543	0	49	0.0	-57.09	360.57	10.00	-47.09
CC(NC1=CC=[NH+]C2=CC(F)=CC=C12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318562	0	44	0.0	-59.90	338.21	9.42	-50.48
CC(NC1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318580	0	58	0.0	-58.25	418.56	11.86	-46.39
COC1=CC2=[NH+]C=CC(NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=C2C=C1OC	REAL300013318589	0	52	0.0	-61.74	390.20	8.59	-53.15
CC(NC1=C2SC=CC2=[NH+]C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318602	1	41	0.0	-58.23	325.68	8.42	-49.81
CC(NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318615	0	53	0.0	-59.88	399.56	11.90	-47.98
CC1=[NH+]C(NC2=CC=CC=C2)=CC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300013318648	0	52	0.0	-56.69	392.67	10.56	-46.13
CC1=NC(NC2=CC=CC=C2)=CC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=[NH+]1	REAL300013318648	1	52	0.0	-58.87	397.57	11.81	-47.06
CC1=[NH+]C=CC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1Br	REAL300013318651	0	41	0.0	-59.61	325.72	8.31	-51.30
CC(NC1=[NH+]C=CC(N(C)C2CCCCC2)=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318653	0	58	0.0	-56.27	414.53	13.22	-43.05
CC1=CC(N(C)C(C)C)=NC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=[NH+]1	REAL300013318654	0	54	0.0	-52.69	394.03	11.84	-40.85
CC(NC1=[NH+]C=CC(N2C=CN=C2)=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318655	1	44	0.0	-66.65	339.15	11.71	-54.94
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=[NH+]1	REAL300013318658	0	55	0.0	-51.34	419.77	14.13	-37.21
CC1=CC(N2C=CC=N2)=NC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=[NH+]1	REAL300013318659	1	47	0.0	-54.79	367.15	11.21	-43.58
CC1=CC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=NC(N(C)C(C)C)=[NH+]1	REAL300013318662	0	54	0.0	-54.22	397.71	12.25	-41.97
CC(NC1=CC=[NH+]C(N(C)C2CCCCC2)=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318665	0	58	0.0	-57.70	417.81	13.55	-44.15
CC1=CC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013318667	1	55	0.0	-56.48	416.97	13.86	-42.62
CCCCC1=CC(NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=NC=[NH+]1	REAL300013318701	1	49	0.0	-61.05	366.56	10.28	-50.77
CC(NC1=C2C=CNC2=NC(C2CC2)=[NH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318702	0	48	0.0	-53.23	365.66	10.65	-42.58
CC(NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318703	0	48	0.0	-60.72	377.70	9.14	-51.58
CC(NC1=CC(N(C)C)=NC(N(C)C)=[NH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318710	0	53	0.0	-53.26	387.44	11.49	-41.77
CC(NC1=CC(N(C)C)=[NH+]C(N(C)C)=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013318710	1	53	0.0	-53.34	390.16	11.67	-41.67
CC1=C(Cl)C2=[NH+]C=CC(NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)=C2C=C1	REAL300013318716	1	47	0.0	-56.18	364.82	10.50	-45.68
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC(Cl)=CC=C2Cl)CC1	REAL300013318747	0	38	0.0	-47.73	335.31	9.41	-38.32
CC(CNC1=CC=[NH+]C2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300013318773	0	41	0.0	-49.19	320.64	9.88	-39.31
CC1=[NH+]C2=CC=C(F)C=C2C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013318781	0	44	0.0	-50.09	348.34	10.52	-39.57
CC(CNC1=CC(N2CCSCC2)=NC=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013318790	0	47	0.0	-43.21	367.71	10.69	-32.52
CC(CNC1=CC(N2CCSCC2)=[NH+]C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013318790	1	47	0.0	-51.79	366.74	10.26	-41.53
CC(CNC1=CC(NCC2CC2)=[NH+]C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013318800	0	46	0.0	-51.59	360.60	10.40	-41.19
CC(CNC1=CC(NCC2CC2)=NC=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013318800	1	46	0.0	-41.57	360.61	10.41	-31.16
CC(CNC1=CC(N2CCCC2)=NC=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013318813	0	46	0.0	-40.72	350.72	10.14	-30.58
CC(CNC1=CC(N2CCCC2)=[NH+]C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013318813	1	46	0.0	-51.37	356.28	9.57	-41.80
CC(CNC1=CC(N2CCCCC2)=NC=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013318814	0	49	0.0	-45.23	373.78	10.66	-34.57
CC(CNC1=CC(N2CCCCC2)=[NH+]C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013318814	1	49	0.0	-48.54	365.97	10.64	-37.90
CC(CNC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013318815	0	53	0.0	-44.36	400.05	8.09	-36.27
CC(CNC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013318815	1	53	0.0	-55.28	403.00	7.79	-47.49
CCCC1=[NH+]C2=CC=CC=C2C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013318816	0	50	0.0	-47.87	390.24	11.84	-36.03
COC1=CC2=NC(NCC(C)(C(=O)[O-])C3=CC=CC=C3)=[NH+]C(N)=C2C=C1OC	REAL300013318850	0	50	0.0	-56.22	394.32	9.18	-47.04
CC(CNC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300013318865	0	44	0.0	-54.39	364.55	10.75	-43.64
CC(CNC1=CC=[NH+]C2=CC=C(Cl)C=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300013318885	1	41	0.0	-53.07	337.35	10.39	-42.68
CC(CNC1=CC(C(F)(F)F)=CC=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013318888	1	38	0.0	-44.89	316.55	9.54	-35.35
CC(C)(C)C1=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=NC(C(C)(C)C)=[NH+]1	REAL300013318890	1	58	0.0	-47.50	434.61	12.48	-35.02
CC(CNC1=CC(N2CCOCC2)=NC=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013318900	0	47	0.0	-46.12	364.86	8.19	-37.93
CC(CNC1=CC(N2CCOCC2)=[NH+]C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013318900	1	47	0.0	-54.02	362.45	8.06	-45.96
CC1=CC2=[NH+]C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)=CC(C)=C2C=C1	REAL300013318934	1	47	0.0	-41.51	367.90	11.69	-29.82
CC(CNC1=CC=[NH+]C2=CC(Cl)=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300013318958	1	41	0.0	-48.71	337.33	10.38	-38.33
CC(CNC1=CC=[NH+]C2=CC(Br)=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300013318973	1	41	0.0	-48.93	341.89	10.48	-38.45
CN(C)C1=[NH+]C=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013318980	0	42	0.0	-55.52	331.92	10.61	-44.91
CC(CNC1=C2SC=CC2=[NH+]C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319012	1	38	0.0	-51.38	313.91	8.92	-42.46
CC(C)(C)C1=[NH+]C=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013319019	1	46	0.0	-52.23	352.09	10.27	-41.96
CC1=[NH+]C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C2C=CNC2=N1	REAL300013319020	0	41	0.0	-42.18	325.29	9.54	-32.64
CC1=C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2[NH+]=C1	REAL300013319022	0	44	0.0	-57.12	347.78	10.40	-46.72
CC(CNC1=CC(N2C=CC=N2)=NC(N)=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319043	1	43	0.0	-44.62	353.70	9.87	-34.75
CN(C)C1=CC=[NH+]C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013319045	0	42	0.0	-51.99	331.70	10.57	-41.42
CC(CNC1=[NH+]C=CC(N2CCOCC2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319051	0	47	0.0	-52.54	360.69	9.01	-43.53
COC1=CC=CC2=C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)C=C(C)[NH+]=C12	REAL300013319059	1	48	0.0	-45.60	375.66	9.74	-35.86
CCC1=[NH+]C2=CC=CC=C2C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013319069	0	47	0.0	-47.66	368.76	11.06	-36.60
CC(CNC1=CC(C(F)(F)F)=CC=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319073	1	38	0.0	-44.89	316.55	9.54	-35.35
CC(C)C1=[NH+]C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=NC(N(C)C)=N1	REAL300013319083	1	50	0.0	-41.49	386.31	14.02	-27.47
CC(C)C1=NC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=NC(N(C)C)=[NH+]1	REAL300013319083	1	50	0.0	-48.96	389.01	14.04	-34.92
CC(CNC1=CC=[NH+]C(N2CCCCC2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319093	0	49	0.0	-50.85	368.33	11.20	-39.65
CCC1=C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2[NH+]=C1C	REAL300013319104	0	50	0.0	-51.93	383.53	11.61	-40.32
CC1=CC2=CC=CC=C2C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=[NH+]1	REAL300013319106	0	44	0.0	-39.99	341.72	11.66	-28.33
CC1=[NH+]C=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1Cl	REAL300013319107	0	38	0.0	-56.90	316.37	8.61	-48.29
CC(CNC1=CC(N2CCCCC2CO)=NC=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319114	0	53	0.0	-46.38	403.70	7.11	-39.27
CC(CNC1=CC(N2CCCCC2CO)=[NH+]C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319114	1	53	0.0	-49.22	399.07	7.46	-41.76
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013319118	0	46	0.0	-58.80	369.98	11.11	-47.69
CC(C)(C)C1=[NH+]C=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013319121	1	46	0.0	-52.23	352.09	10.27	-41.96
CC1=[NH+]C2=CC=CC=C2C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300013319125	0	47	0.0	-53.94	365.55	10.96	-42.98
CC1=C2[NH+]=CC(C)=C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)C2=CC=C1	REAL300013319133	0	47	0.0	-54.17	358.38	10.84	-43.33
CC(CNC1=CC=[NH+]C=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300013319134	1	35	0.0	-54.72	296.41	8.36	-46.36
CN1CCN(C2=CC(NCC(C)(C(=O)[O-])C3=CC=CC=C3)=[NH+]C=N2)CC1=O	REAL300013319135	0	50	0.0	-52.18	390.40	8.67	-43.51
CN1CCN(C2=CC(NCC(C)(C(=O)[O-])C3=CC=CC=C3)=NC=[NH+]2)CC1=O	REAL300013319135	1	50	0.0	-52.55	378.08	8.00	-44.55
CCOC(=O)C1=C[NH+]=CC=C1NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013319152	1	44	0.0	-64.83	349.31	9.48	-55.35
COC1=CC=CC2=C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)C(C)=C[NH+]=C12	REAL300013319160	1	48	0.0	-51.83	368.81	9.52	-42.31
CC(CNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300013319173	0	52	0.0	-60.49	414.77	12.59	-47.90
CCCCNC1=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=NC(N)=[NH+]1	REAL300013319191	0	50	0.0	-52.13	392.46	9.63	-42.50
CCCCNC1=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=[NH+]C(N)=N1	REAL300013319191	1	50	0.0	-42.15	392.47	9.64	-32.51
CC(CNC1=CC=[NH+]C=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300013319200	1	35	0.0	-54.72	296.41	8.36	-46.36
CC(C)NC1=NC(NCCO)=[NH+]C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013319208	0	53	0.0	-42.87	415.85	10.48	-32.39
CC(C)NC1=NC(NCCO)=NC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=[NH+]1	REAL300013319208	1	53	0.0	-41.69	413.95	10.53	-31.16
CC(C)NC1=[NH+]C(NCCO)=NC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013319208	1	53	0.0	-50.20	419.34	10.39	-39.81
CC(CNC1=CC(C(F)(F)F)=CC=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319217	1	38	0.0	-44.89	316.55	9.54	-35.35
CCNC1=[NH+]C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=NC(NC(C)(C)C)=N1	REAL300013319222	0	55	0.0	-43.61	421.18	14.65	-28.96
CCNC1=NC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=NC(NC(C)(C)C)=[NH+]1	REAL300013319222	1	55	0.0	-47.32	419.00	14.33	-32.99
CCNC1=NC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=[NH+]C(NC(C)(C)C)=N1	REAL300013319222	1	55	0.0	-38.39	413.61	14.48	-23.91
CN(C1=CC=CC=C1)C1=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=[NH+]C=N1	REAL300013319249	1	49	0.0	-46.70	391.24	12.44	-34.26
CC(CNC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300013319274	1	41	0.0	-53.43	343.14	10.44	-42.99
CC(O)C1CCN(C2=CC(NCC(C)(C(=O)[O-])C3=CC=CC=C3)=[NH+]C=N2)C1	REAL300013319275	0	53	0.0	-43.84	397.47	8.43	-35.41
CC(O)C1CCN(C2=CC(NCC(C)(C(=O)[O-])C3=CC=CC=C3)=NC=[NH+]2)C1	REAL300013319275	1	53	0.0	-54.54	403.75	7.59	-46.95
CC(CNC1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2)(C(=O)[O-])C1=CC=CC=C1	REAL300013319278	1	44	0.0	-47.43	346.79	11.79	-35.64
CCCC1=CC2=C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)C=C[NH+]=C2C=C1	REAL300013319282	0	50	0.0	-54.16	390.37	11.94	-42.22
CCC1=CC2=C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)C=C[NH+]=C2C=C1	REAL300013319283	0	47	0.0	-53.93	368.87	11.17	-42.76
CC(C)OC1=CC2=C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)C=C[NH+]=C2C=C1	REAL300013319287	0	51	0.0	-59.24	395.13	10.59	-48.65
CC(CNC1=CC(NC2CC2)=NC=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319295	0	43	0.0	-45.22	343.66	9.55	-35.67
CC(CNC1=CC(NC2CC2)=[NH+]C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319295	1	43	0.0	-54.93	343.66	9.56	-45.37
CC1=[NH+]C2=CC=CC=C2C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013319344	0	44	0.0	-45.45	341.94	10.45	-35.00
CC(CNC1=CC=[NH+]C2=CC=C(Br)C=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300013319407	1	41	0.0	-52.93	341.90	10.49	-42.44
CC(CNC1=CC=[NH+]C2=C(Br)C=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300013319413	1	41	0.0	-47.22	344.64	10.44	-36.78
CCOC1=CC2=[NH+]C=CC(NCC(C)(C(=O)[O-])C3=CC=CC=C3)=C2C=C1OCC	REAL300013319426	0	55	0.0	-55.77	428.12	10.83	-44.94
CC(CNC1=[NH+]C=CC(N2CCCC2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319438	0	46	0.0	-52.09	356.86	10.64	-41.45
CC(CNC1=CC=[NH+]C2=CC(F)=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300013319456	0	41	0.0	-52.87	332.41	9.82	-43.05
CC(CNC1=[NH+]C=CC2=CC(F)=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300013319476	1	41	0.0	-43.98	326.84	11.16	-32.82
CC1=CC2=C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)[NH+]=CC=C2C=C1	REAL300013319477	1	44	0.0	-43.10	341.80	11.75	-31.35
CC1=CC=CC2=C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)[NH+]=CC=C12	REAL300013319478	1	44	0.0	-42.57	338.38	11.63	-30.94
CC(CNC1=NC(N2CCCC(C)(C)C2)=CC=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319484	0	55	0.0	-49.31	404.81	12.91	-36.40
CC1=CC2=C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013319489	0	54	0.0	-50.99	414.73	12.87	-38.12
CC1=CC(C(F)(F)F)=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=[NH+]1	REAL300013319493	0	41	0.0	-44.51	343.33	9.97	-34.54
COC1=CC2=[NH+]C=CC(NCC(C)(C(=O)[O-])C3=CC=CC=C3)=C2C=C1OC	REAL300013319500	0	49	0.0	-55.93	384.41	8.99	-46.94
COC1=C(N)[NH+]=CN=C1NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013319517	0	40	0.0	-57.04	326.26	6.84	-50.20
COC1=C(N)N=C[NH+]=C1NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013319517	1	40	0.0	-46.25	319.16	6.89	-39.36
CC(CNC1=C2SC=CC2=[NH+]C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319529	1	38	0.0	-51.38	313.91	8.92	-42.46
CC(CNC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319546	0	50	0.0	-52.29	390.47	12.69	-39.60
CC(CNC1=[NH+]C=CC2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300013319562	1	41	0.0	-42.87	320.45	11.09	-31.78
CC1=CC=C2C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)=CC(C)=[NH+]C2=C1Cl	REAL300013319584	0	47	0.0	-40.34	374.96	11.61	-28.73
CC(CNC1=[NH+]C=CC2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300013319586	1	41	0.0	-42.87	320.45	11.09	-31.78
CC1=NC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013319587	0	49	0.0	-46.60	385.83	11.86	-34.74
CC1=[NH+]C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CC(NC2=CC=CC=C2)=N1	REAL300013319587	1	49	0.0	-40.03	386.18	12.27	-27.76
CC1=[NH+]C=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1Br	REAL300013319591	0	38	0.0	-56.81	319.96	8.71	-48.10
CN(C)C1=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=[NH+]C=N1	REAL300013319593	0	42	0.0	-45.44	333.09	9.85	-35.59
CN(C)C1=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=NC=[NH+]1	REAL300013319593	1	42	0.0	-54.59	329.78	9.72	-44.87
CN(C1=CC=[NH+]C(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1)C1CCCCC1	REAL300013319594	0	55	0.0	-52.11	411.34	13.94	-38.17
CC1=CC(N(C)C(C)C)=NC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=[NH+]1	REAL300013319595	0	51	0.0	-47.51	391.28	12.56	-34.95
CC(CNC1=[NH+]C=CC(N2C=CN=C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319596	1	41	0.0	-62.13	336.13	12.42	-49.71
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=[NH+]1	REAL300013319599	0	52	0.0	-50.49	412.73	13.74	-36.75
CC1=CC(N2C=CC=N2)=NC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=[NH+]1	REAL300013319600	1	44	0.0	-49.17	360.15	11.78	-37.39
CC1=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013319603	0	51	0.0	-51.37	391.41	12.67	-38.70
CN(C1=[NH+]C=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1)C1CCCCC1	REAL300013319606	0	55	0.0	-55.66	411.50	13.98	-41.68
CC1=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013319608	1	52	0.0	-51.17	409.12	14.70	-36.47
CC1=CC=CC2=CC=[NH+]C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)=C12	REAL300013319636	0	44	0.0	-45.81	339.28	11.94	-33.87
CC(CNC1=C2C=CNC2=NC(C2CC2)=[NH+]1)(C(=O)[O-])C1=CC=CC=C1	REAL300013319665	1	45	0.0	-42.28	359.11	10.99	-31.29
CC(CNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300013319666	0	45	0.0	-50.31	366.52	9.67	-40.64
CN(C)C1=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=[NH+]C(N(C)C)=N1	REAL300013319673	0	50	0.0	-40.78	386.36	12.13	-28.65
CN(C)C1=CC(NCC(C)(C(=O)[O-])C2=CC=CC=C2)=NC(N(C)C)=[NH+]1	REAL300013319673	1	50	0.0	-50.29	383.34	12.10	-38.19
CC1=C(Cl)C2=[NH+]C=CC(NCC(C)(C(=O)[O-])C3=CC=CC=C3)=C2C=C1	REAL300013319682	1	44	0.0	-47.29	359.05	10.90	-36.39
CC1=C(CN(C)C2=[NH+]C=CC=C2C(=O)[O-])OC2=C(C)C=CC=C12	REAL300013319685	0	41	0.0	-51.34	335.30	10.59	-40.75
O=C([O-])C1=CC=C[NH+]=C1N1CCOC2=CC=CC(Br)=C2C1	REAL300013319698	0	34	0.0	-53.04	295.03	8.77	-44.27
CN(CC1=CC=C2OC(F)(F)OC2=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013319718	0	35	0.0	-51.54	305.10	7.80	-43.74
O=C([O-])C1=CC=C[NH+]=C1N1CCSC(C2=CC=CC=C2)C1	REAL300013319743	0	37	0.0	-50.54	309.93	10.33	-40.21
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC(Cl)=C(Cl)C(Cl)=C2)CC1	REAL300013319749	0	38	0.0	-49.10	345.81	9.32	-39.78
O=C([O-])C1=CN=C(NC2CCC[N@@H+]3CCCCC23)C(Cl)=C1	REAL300013319752	0	41	0.0	-66.30	321.30	9.46	-56.84
O=C([O-])C1=CN=C(NC2CCC[N@H+]3CCCCC23)C(Cl)=C1	REAL300013319752	1	41	0.0	-66.35	321.34	9.47	-56.88
O=C([O-])C1=CC2=C(NC3CCC[N@@H+]4CCCCC34)N=CNC2=N1	REAL300013319753	0	44	0.0	-96.77	334.50	9.80	-86.97
O=C([O-])C1=CC2=C(NC3CCC[N@H+]4CCCCC34)N=CNC2=N1	REAL300013319753	1	44	0.0	-96.75	334.47	9.82	-86.93
CN(CC[NH+]1CCCCC1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013319759	0	43	0.0	-103.48	333.11	9.67	-93.81
N#CC1=CC=CC(C[NH+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013319760	0	45	0.0	-94.36	366.23	10.14	-84.22
N#CC1=CC=CC(C[NH+]2CCC(NC3=NC=CC=C3C(=O)[O-])CC2)=C1	REAL300013319761	0	45	0.0	-73.80	363.77	10.79	-63.01
N#CC1=CC=CC(C[NH+]2CCC(NC3=NC=C(C(=O)[O-])C=C3Cl)CC2)=C1	REAL300013319762	0	45	0.0	-82.92	383.13	11.12	-71.80
N#CC1=CC=CC(C[NH+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013319763	0	45	0.0	-94.36	366.23	10.14	-84.22
N#CC1=CC=CC(C[NH+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)CC2)=C1	REAL300013319764	0	45	0.0	-94.36	366.23	10.14	-84.22
N#CC1=CC=CC(C[NH+]2CCC(NC3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)=C1	REAL300013319765	0	48	0.0	-118.33	396.32	11.47	-106.86
CC1CN(C2=[NH+]C=CC=C2C(=O)[O-])CCC2=CC=C(F)C=C21	REAL300013319767	0	39	0.0	-46.03	308.97	10.34	-35.69
COCCOCC[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013319776	1	45	0.0	-71.61	353.66	5.62	-65.99
COCCOCC[NH+]1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013319777	1	45	0.0	-53.57	354.00	6.47	-47.10
COCCOCC[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013319779	1	45	0.0	-71.61	353.66	5.62	-65.99
COCCOCC[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013319780	1	45	0.0	-71.61	353.66	5.62	-65.99
COCCOCC[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013319781	0	48	0.0	-100.08	378.76	7.47	-92.61
CCC(C(=O)[O-])N(C)C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013319792	0	46	0.0	-41.23	345.57	6.72	-34.51
CCC(C(=O)[O-])N(C)C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013319792	1	46	0.0	-49.70	345.07	6.57	-43.13
CCC(C(=O)[O-])N(C)C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013319802	0	37	0.0	-57.07	302.47	7.70	-49.37
CCC(C(=O)[O-])N(C)C1=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N1	REAL300013319805	1	51	0.0	-40.64	376.97	11.19	-29.45
CCC(C(=O)[O-])N(C)C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013319831	1	34	0.0	-55.09	284.83	7.33	-47.76
CCC(C(=O)[O-])N(C)C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013319858	0	46	0.0	-39.60	343.79	5.80	-33.80
CCC(C(=O)[O-])N(C)C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013319858	1	46	0.0	-49.32	348.30	6.22	-43.10
CCC(C(=O)[O-])N(C)C1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1	REAL300013319867	0	43	0.0	-43.34	331.60	7.37	-35.97
CCC(C(=O)[O-])N(C)C1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1	REAL300013319867	1	43	0.0	-43.12	327.06	6.62	-36.50
CCC(C(=O)[O-])N(C)C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013319878	0	45	0.0	-62.82	353.16	9.58	-53.24
CCC(C(=O)[O-])N(C)C1=NC(NCCO)=[NH+]C(NC(C)C)=N1	REAL300013319886	0	46	0.0	-46.95	361.93	9.23	-37.72
CCC(C(=O)[O-])N(C)C1=[NH+]C(NCCO)=NC(NC(C)C)=N1	REAL300013319886	1	46	0.0	-39.43	363.26	9.36	-30.07
CCC(C(=O)[O-])N(C)C1=NC(NCCO)=NC(NC(C)C)=[NH+]1	REAL300013319886	1	46	0.0	-39.08	362.55	9.34	-29.74
CCC(C(=O)[O-])N(C)C1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1	REAL300013319900	0	46	0.0	-38.78	344.05	6.99	-31.79
CCC(C(=O)[O-])N(C)C1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1	REAL300013319900	1	46	0.0	-50.47	347.25	6.36	-44.11
CCC(C(=O)[O-])N(C)C1=CC=[NH+]C2=CC=C(OC(C)C)C=C21	REAL300013319903	0	44	0.0	-38.70	335.23	7.67	-31.03
CCOC(=O)C1=C(C)C2=C(N(C)C(CC)C(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013319933	1	53	0.0	-59.72	424.74	10.49	-49.23
CCC(C(=O)[O-])N(C)C1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-]	REAL300013319937	0	50	0.0	-85.09	402.02	5.54	-79.55
CCC(C(=O)[O-])N(C)C1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1	REAL300013319985	1	51	0.0	-57.45	392.78	11.39	-46.06
CCC(C(=O)[O-])N(C)C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013319986	1	34	0.0	-38.81	287.03	7.41	-31.40
CCOC1=CC2=[NH+]C=CC(N(C)C(CC)C(=O)[O-])=C2C=C1OCC	REAL300013319996	0	48	0.0	-57.94	364.79	7.75	-50.19
CCC1=CC(N(C)C(CC)C(=O)[O-])=NC(C2=CC=NC=C2)=[NH+]1	REAL300013319997	1	42	0.0	-45.78	335.35	9.63	-36.15
CCC(C(=O)[O-])N(C)C1=CC=[NH+]C2=CC(OC)=C(Br)C=C21	REAL300013320017	0	38	0.0	-59.57	313.32	6.70	-52.87
CCC(C(=O)[O-])N(C)C1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1	REAL300013320021	0	48	0.0	-48.24	352.36	11.73	-36.51
CCC(C(=O)[O-])N(C)C1=CC=[NH+]C2=CC(OC)=C(OC)C=C21	REAL300013320027	0	42	0.0	-58.16	321.07	5.92	-52.24
CCC(C(=O)[O-])N(C)C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013320038	0	43	0.0	-49.63	338.06	11.37	-38.26
CCC(C(=O)[O-])N(C)C1=CC(NC2=CC=CC=C2)=[NH+]C(C)=N1	REAL300013320050	0	42	0.0	-41.65	332.89	10.52	-31.13
CCC(C(=O)[O-])N(C)C1=CC(NC2=CC=CC=C2)=NC(C)=[NH+]1	REAL300013320050	1	42	0.0	-36.25	331.02	10.89	-25.36
CCC(C(=O)[O-])N(C)C1=[NH+]C=CC(N(C)C2CCCCC2)=N1	REAL300013320053	0	48	0.0	-45.39	355.23	12.82	-32.57
CCC(C(=O)[O-])N(C)C1=[NH+]C(C)=CC(N(C)C2=CC=CC=C2)=N1	REAL300013320055	0	45	0.0	-40.96	357.37	13.47	-27.49
CCC(C(=O)[O-])N(C)C1=CC=[NH+]C(N(C)C2CCCCC2)=N1	REAL300013320057	0	48	0.0	-45.26	355.06	12.74	-32.52
CCC(C(=O)[O-])N(C)C1=CC(C)=[NH+]C(N(C)C2=CC=CC=C2)=N1	REAL300013320059	1	45	0.0	-45.15	356.14	13.44	-31.71
CCC(C(=O)[O-])N(C)C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013320077	0	38	0.0	-56.54	309.47	6.53	-50.01
O=C([O-])C1=CN=C(N2CC[NH+](CC3=CC=CC=C3)CC2)C(Cl)=C1	REAL300013320086	1	41	0.0	-66.19	342.59	9.81	-56.38
O=C([O-])C1=CC2=C(N3CC[NH+](CC4=CC=CC=C4)CC3)N=CNC2=N1	REAL300013320087	0	44	0.0	-103.15	349.52	10.95	-92.20
CC1=[NH+]C2=CC=C(F)C=C2C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1	REAL300013320104	0	38	0.0	-48.99	311.57	7.67	-41.32
O=C([O-])[C@@H]1CN(C2=CC(N3CCSCC3)=NC=[NH+]2)C[C@H]1C(F)F	REAL300013320113	0	41	0.0	-56.47	330.99	7.60	-48.87
O=C([O-])[C@@H]1CN(C2=CC(N3CCSCC3)=[NH+]C=N2)C[C@H]1C(F)F	REAL300013320113	1	41	0.0	-65.52	329.88	7.16	-58.36
O=C([O-])[C@@H]1CN(C2=CC(NCC3CC3)=[NH+]C=N2)C[C@H]1C(F)F	REAL300013320123	0	40	0.0	-51.98	329.04	7.98	-44.00
O=C([O-])[C@@H]1CN(C2=CC(NCC3CC3)=NC=[NH+]2)C[C@H]1C(F)F	REAL300013320123	1	40	0.0	-42.93	327.70	7.69	-35.24
O=C([O-])[C@@H]1CN(C2=CC(N3CCCC3)=[NH+]C=N2)C[C@H]1C(F)F	REAL300013320135	0	40	0.0	-49.25	316.11	7.31	-41.94
O=C([O-])[C@@H]1CN(C2=CC(N3CCCC3)=NC=[NH+]2)C[C@H]1C(F)F	REAL300013320135	1	40	0.0	-46.35	317.36	7.03	-39.32
O=C([O-])[C@@H]1CN(C2=CC(N3CCCCC3)=[NH+]C=N2)C[C@H]1C(F)F	REAL300013320136	0	43	0.0	-62.05	329.15	7.56	-54.49
O=C([O-])[C@@H]1CN(C2=CC(N3CCCCC3)=NC=[NH+]2)C[C@H]1C(F)F	REAL300013320136	1	43	0.0	-53.33	331.62	7.72	-45.61
O=C([O-])[C@@H]1CN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C[C@H]1C(F)F	REAL300013320137	0	47	0.0	-46.37	362.27	5.42	-40.95
O=C([O-])[C@@H]1CN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C[C@H]1C(F)F	REAL300013320137	1	47	0.0	-55.96	363.24	4.92	-51.04
CCCC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1	REAL300013320138	0	44	0.0	-56.43	344.77	9.07	-47.36
COC1=CC2=NC(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)=[NH+]C(N)=C2C=C1OC	REAL300013320170	0	44	0.0	-60.89	352.33	5.77	-55.12
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C[C@H]1C(F)F	REAL300013320185	0	38	0.0	-51.29	322.78	8.02	-43.27
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)C[C@H]1C(F)F	REAL300013320202	1	35	0.0	-60.08	306.33	8.01	-52.07
O=C([O-])[C@@H]1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)C[C@H]1C(F)F	REAL300013320205	1	32	0.0	-60.83	281.77	6.76	-54.07
CC(C)(C)C1=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=NC(C(C)(C)C)=[NH+]1	REAL300013320207	1	52	0.0	-43.27	396.97	10.22	-33.05
O=C([O-])[C@@H]1CN(C2=CC(N3CCOCC3)=NC=[NH+]2)C[C@H]1C(F)F	REAL300013320215	0	41	0.0	-55.50	322.75	5.26	-50.24
O=C([O-])[C@@H]1CN(C2=CC(N3CCOCC3)=[NH+]C=N2)C[C@H]1C(F)F	REAL300013320215	1	41	0.0	-60.58	325.24	5.70	-54.88
CC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013320225	1	43	0.0	-57.97	367.37	10.25	-47.72
CC1=CC2=[NH+]C(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)=CC(C)=C2C=C1	REAL300013320243	1	41	0.0	-39.68	329.75	9.20	-30.48
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)C[C@H]1C(F)F	REAL300013320262	1	35	0.0	-49.29	300.58	7.53	-41.76
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C[C@H]1C(F)F	REAL300013320276	1	35	0.0	-49.35	305.13	7.64	-41.71
CC1=[NH+]C2=CC=C(Br)C=C2C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1C	REAL300013320308	0	41	0.0	-53.86	336.85	8.92	-44.94
CC1=C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)C2=CC=CC=C2[NH+]=C1	REAL300013320322	0	38	0.0	-53.29	298.29	7.81	-45.48
CC(O)CNC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=NC=[NH+]1	REAL300013320332	0	40	0.0	-52.53	328.94	3.98	-48.55
CC(O)CNC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=[NH+]C=N1	REAL300013320332	1	40	0.0	-46.81	327.00	3.25	-43.56
NC1=[NH+]C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=CC(N2C=CC=N2)=N1	REAL300013320342	0	37	0.0	-42.16	309.98	7.31	-34.85
O=C([O-])[C@@H]1CN(C2=[NH+]C=CC(N3CCOCC3)=N2)C[C@H]1C(F)F	REAL300013320348	0	41	0.0	-50.39	326.95	6.15	-44.24
COC1=CC=CC2=C(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)C=C(C)[NH+]=C12	REAL300013320354	1	42	0.0	-51.64	339.79	7.59	-44.05
CCOC(=O)C1=C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013320355	1	50	0.0	-54.74	390.45	10.58	-44.16
CCC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1	REAL300013320366	0	41	0.0	-56.68	323.29	8.30	-48.38
O=C([O-])[C@@H]1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)C[C@H]1C(F)F	REAL300013320370	1	32	0.0	-60.83	281.77	6.76	-54.07
CC(C)C1=[NH+]C(N(C)C)=NC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=N1	REAL300013320380	1	44	0.0	-56.63	347.69	10.59	-46.04
CC(C)C1=NC(N(C)C)=NC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=[NH+]1	REAL300013320380	1	44	0.0	-38.10	351.74	11.28	-26.82
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C(N3CCCCC3)=N2)C[C@H]1C(F)F	REAL300013320387	0	43	0.0	-51.57	336.58	8.69	-42.88
CCC1=C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)C2=CC=CC=C2[NH+]=C1C	REAL300013320398	0	44	0.0	-58.31	338.45	9.04	-49.27
CC1=CC2=CC=CC=C2C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=[NH+]1	REAL300013320400	0	38	0.0	-47.35	305.55	8.77	-38.58
O=C([O-])[C@@H]1CN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C[C@H]1C(F)F	REAL300013320406	0	47	0.0	-49.58	366.23	4.66	-44.92
O=C([O-])[C@@H]1CN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C[C@H]1C(F)F	REAL300013320406	1	47	0.0	-59.48	361.57	4.17	-55.31
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1	REAL300013320410	0	40	0.0	-62.76	329.62	8.09	-54.67
CC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1C	REAL300013320416	0	41	0.0	-46.55	316.36	8.23	-38.32
CC1=C2[NH+]=CC(C)=C(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)C2=CC=C1	REAL300013320423	0	41	0.0	-60.59	313.96	8.46	-52.13
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C=C2Br)C[C@H]1C(F)F	REAL300013320425	1	29	0.0	-51.80	256.27	5.39	-46.41
CN1CCN(C2=CC(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)=[NH+]C=N2)CC1=O	REAL300013320426	0	44	0.0	-50.22	350.02	5.87	-44.35
CN1CCN(C2=CC(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)=NC=[NH+]2)CC1=O	REAL300013320426	1	44	0.0	-66.88	348.09	5.58	-61.30
CC(C)C1OCCCC1NC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=NC=[NH+]1	REAL300013320439	0	53	0.0	-52.35	402.61	8.52	-43.83
CC(C)C1OCCCC1NC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=[NH+]C=N1	REAL300013320439	1	53	0.0	-45.03	401.42	8.54	-36.49
CCOC(=O)C1=C[NH+]=CC=C1N1C[C@@H](C(=O)[O-])[C@H](C(F)F)C1	REAL300013320441	1	38	0.0	-71.36	317.66	7.56	-63.80
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C[C@H]1C(F)F	REAL300013320462	0	46	0.0	-55.08	377.99	10.37	-44.71
CCCCNC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=NC(N)=[NH+]1	REAL300013320476	0	44	0.0	-60.63	350.22	6.68	-53.95
CCCCNC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=[NH+]C(N)=N1	REAL300013320476	1	44	0.0	-42.16	352.57	6.73	-35.43
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C=C2Br)C[C@H]1C(F)F	REAL300013320484	1	29	0.0	-51.80	256.27	5.39	-46.41
CC(C)NC1=[NH+]C(NCCO)=NC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=N1	REAL300013320491	0	47	0.0	-56.58	380.36	7.50	-49.08
CC(C)NC1=NC(NCCO)=[NH+]C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=N1	REAL300013320491	1	47	0.0	-47.69	382.61	7.62	-40.07
CC(C)NC1=NC(NCCO)=NC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=[NH+]1	REAL300013320491	1	47	0.0	-47.08	381.92	7.61	-39.47
O=C([O-])[C@@H]1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)C[C@H]1C(F)F	REAL300013320501	1	32	0.0	-60.83	281.77	6.76	-54.07
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=N1	REAL300013320507	0	49	0.0	-53.23	378.89	11.54	-41.69
CCNC1=NC(NC(C)(C)C)=NC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=[NH+]1	REAL300013320507	1	49	0.0	-45.65	383.79	11.85	-33.80
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=N1	REAL300013320507	1	49	0.0	-43.81	381.61	11.56	-32.25
CC(O)C1CCN(C2=CC(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)=[NH+]C=N2)C1	REAL300013320555	0	47	0.0	-54.45	368.91	5.12	-49.33
CC(O)C1CCN(C2=CC(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)=NC=[NH+]2)C1	REAL300013320555	1	47	0.0	-55.94	362.55	5.64	-50.30
O=C([O-])[C@@H]1CN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C[C@H]1C(F)F	REAL300013320558	1	38	0.0	-47.94	318.04	8.86	-39.08
CCCC1=CC2=C(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)C=C[NH+]=C2C=C1	REAL300013320562	0	44	0.0	-57.07	353.97	9.69	-47.38
CCC1=CC2=C(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)C=C[NH+]=C2C=C1	REAL300013320563	0	41	0.0	-56.90	332.47	8.92	-47.98
CC(C)OC1=CC2=C(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)C=C[NH+]=C2C=C1	REAL300013320567	0	45	0.0	-60.64	358.75	8.34	-52.30
CC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1	REAL300013320625	0	38	0.0	-45.56	305.20	7.61	-37.95
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C[C@H]1C(F)F	REAL300013320693	1	35	0.0	-59.91	310.89	8.11	-51.80
CCOC1=CC2=[NH+]C=CC(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)=C2C=C1OCC	REAL300013320715	0	49	0.0	-56.21	384.84	8.12	-48.09
CCC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013320717	1	43	0.0	-50.00	355.33	8.66	-41.34
O=C([O-])[C@@H]1CN(C2=[NH+]C=CC(N3CCCC3)=N2)C[C@H]1C(F)F	REAL300013320729	0	40	0.0	-55.60	319.32	7.89	-47.71
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC(F)=CC=C32)C[C@H]1C(F)F	REAL300013320749	0	35	0.0	-49.61	290.28	7.11	-42.50
CC1=CC2=C(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)[NH+]=CC=C2C=C1	REAL300013320767	1	38	0.0	-45.96	304.12	8.82	-37.14
CC1=CC=CC2=C(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)[NH+]=CC=C12	REAL300013320768	1	38	0.0	-44.89	300.70	8.70	-36.19
CC1(C)CCCN(C2=CC=[NH+]C(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)=N2)C1	REAL300013320775	0	49	0.0	-54.78	372.74	10.00	-44.78
CC1=CC2=C(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013320780	0	48	0.0	-56.40	364.41	10.24	-46.16
CC1=CC(C(F)(F)F)=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=[NH+]1	REAL300013320784	0	35	0.0	-56.27	301.76	7.38	-48.89
O=C([O-])[C@@H]1CN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C[C@H]1C(F)F	REAL300013320786	1	40	0.0	-60.94	326.16	8.94	-52.00
COC1=CC2=[NH+]C=CC(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)=C2C=C1OC	REAL300013320791	0	43	0.0	-51.93	347.63	6.77	-45.16
O=C([O-])[C@@H]1CN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C[C@H]1C(F)F	REAL300013320834	0	44	0.0	-56.40	352.47	9.64	-46.76
CC1=[NH+]C2=C(Cl)C(C)=CC=C2C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1	REAL300013320868	0	41	0.0	-40.76	338.19	8.76	-32.00
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=N1	REAL300013320870	0	43	0.0	-57.76	347.69	8.79	-48.97
CC1=NC(NC2=CC=CC=C2)=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=[NH+]1	REAL300013320870	1	43	0.0	-40.24	352.52	9.53	-30.71
CC1=[NH+]C=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1Br	REAL300013320874	0	32	0.0	-66.31	274.07	5.96	-60.35
CN(C1=CC=[NH+]C(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=N1)C1CCCCC1	REAL300013320876	0	49	0.0	-49.88	371.57	10.50	-39.38
CC1=CC(N(C)C(C)C)=NC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=[NH+]1	REAL300013320877	0	45	0.0	-42.60	354.00	9.75	-32.85
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=[NH+]1	REAL300013320881	0	46	0.0	-56.98	372.77	11.12	-45.86
CC1=CC(N2C=CC=N2)=NC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=[NH+]1	REAL300013320882	1	38	0.0	-55.65	318.18	8.35	-47.30
CC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013320885	0	45	0.0	-51.85	351.41	9.77	-42.08
CN(C1=[NH+]C=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=N1)C1CCCCC1	REAL300013320888	0	49	0.0	-51.60	373.85	11.75	-39.85
CC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013320890	1	46	0.0	-54.27	373.27	11.74	-42.53
CC1=CC=CC2=CC=[NH+]C(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)=C12	REAL300013320914	1	38	0.0	-59.25	305.90	10.81	-48.44
O=C([O-])[C@@H]1CN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)C[C@H]1C(F)F	REAL300013320941	0	39	0.0	-37.23	314.38	7.69	-29.54
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C[C@H]1C(F)F	REAL300013320942	0	39	0.0	-50.54	329.76	6.84	-43.70
CN(C)C1=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=NC(N(C)C)=[NH+]1	REAL300013320948	1	44	0.0	-53.55	346.58	9.90	-43.65
CN(C)C1=CC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=[NH+]C(N(C)C)=N1	REAL300013320948	1	44	0.0	-45.86	346.87	9.69	-36.17
CC1=C(Cl)C2=[NH+]C=CC(N3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)=C2C=C1	REAL300013320956	1	38	0.0	-51.54	322.64	8.64	-42.90
O=C([O-])C1CC(NC2=CC=[NH+]C3=CC=CC=C23)C2=CC=CC=C21	REAL300013320968	0	39	0.0	-63.61	310.73	9.49	-54.12
CC1=[NH+]C2=CC=C(F)C=C2C(NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300013320976	0	42	0.0	-62.40	338.30	10.12	-52.28
O=C([O-])C1CC(NC2=CC(N3CCSCC3)=NC=[NH+]2)C2=CC=CC=C21	REAL300013320985	0	45	0.0	-61.88	357.65	10.21	-51.67
O=C([O-])C1CC(NC2=CC(N3CCSCC3)=[NH+]C=N2)C2=CC=CC=C21	REAL300013320985	1	45	0.0	-65.36	357.38	9.81	-55.55
O=C([O-])C1CC(NC2=CC(NCC3CC3)=[NH+]C=N2)C2=CC=CC=C21	REAL300013320995	0	44	0.0	-63.55	352.57	10.06	-53.49
O=C([O-])C1CC(NC2=CC(NCC3CC3)=NC=[NH+]2)C2=CC=CC=C21	REAL300013320995	1	44	0.0	-58.32	350.50	9.93	-48.39
O=C([O-])C1CC(NC2=CC(N3CCCC3)=NC=[NH+]2)C2=CC=CC=C21	REAL300013321008	0	44	0.0	-59.12	341.47	9.58	-49.54
O=C([O-])C1CC(NC2=CC(N3CCCC3)=[NH+]C=N2)C2=CC=CC=C21	REAL300013321008	1	44	0.0	-61.90	340.96	9.31	-52.59
O=C([O-])C1CC(NC2=CC(N3CCCCC3)=NC=[NH+]2)C2=CC=CC=C21	REAL300013321009	0	47	0.0	-58.47	358.29	10.33	-48.14
O=C([O-])C1CC(NC2=CC(N3CCCCC3)=[NH+]C=N2)C2=CC=CC=C21	REAL300013321009	1	47	0.0	-63.34	353.77	10.18	-53.16
O=C([O-])C1CC(NC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C2=CC=CC=C21	REAL300013321010	0	51	0.0	-62.59	391.32	7.75	-54.84
O=C([O-])C1CC(NC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C2=CC=CC=C21	REAL300013321010	1	51	0.0	-67.27	385.42	7.47	-59.80
CCCC1=[NH+]C2=CC=CC=C2C(NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300013321011	0	48	0.0	-56.63	375.59	11.60	-45.03
COC1=CC2=NC(NC3CC(C(=O)[O-])C4=CC=CC=C43)=[NH+]C(N)=C2C=C1OC	REAL300013321043	0	48	0.0	-63.09	380.11	8.94	-54.15
O=C([O-])C1CC(NC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)C2=CC=CC=C21	REAL300013321058	0	42	0.0	-67.57	349.26	10.49	-57.08
O=C([O-])C1CC(NC2=CC=[NH+]C3=CC=C(Cl)C=C23)C2=CC=CC=C21	REAL300013321078	1	39	0.0	-66.40	327.30	9.99	-56.41
O=C([O-])C1CC(NC2=CC(N3CCOCC3)=NC=[NH+]2)C2=CC=CC=C21	REAL300013321092	0	45	0.0	-60.70	349.41	7.87	-52.83
O=C([O-])C1CC(NC2=CC(N3CCOCC3)=[NH+]C=N2)C2=CC=CC=C21	REAL300013321092	1	45	0.0	-64.16	347.70	7.75	-56.41
CC1=CC2=[NH+]C(NC3CC(C(=O)[O-])C4=CC=CC=C43)=CC(C)=C2C=C1	REAL300013321124	1	45	0.0	-54.86	353.08	11.47	-43.39
O=C([O-])C1CC(NC2=CC=[NH+]C3=CC(Cl)=CC=C23)C2=CC=CC=C21	REAL300013321147	1	39	0.0	-65.09	327.42	9.99	-55.10
O=C([O-])C1CC(NC2=CC=[NH+]C3=CC(Br)=CC=C23)C2=CC=CC=C21	REAL300013321160	1	39	0.0	-65.26	331.98	10.10	-55.16
O=C([O-])C1CC(NC2=C3SC=CC3=[NH+]C=C2)C2=CC=CC=C21	REAL300013321198	1	36	0.0	-63.94	304.63	8.55	-55.39
CC1=[NH+]C(NC2CC(C(=O)[O-])C3=CC=CC=C32)=C2C=CNC2=N1	REAL300013321205	0	39	0.0	-56.68	316.65	9.40	-47.28
CC1=C(NC2CC(C(=O)[O-])C3=CC=CC=C32)C2=CC=CC=C2[NH+]=C1	REAL300013321207	0	42	0.0	-59.70	330.97	9.95	-49.75
NC1=[NH+]C(NC2CC(C(=O)[O-])C3=CC=CC=C32)=CC(N2C=CC=N2)=N1	REAL300013321227	1	41	0.0	-58.65	338.29	9.62	-49.03
O=C([O-])C1CC(NC2=[NH+]C=CC(N3CCOCC3)=N2)C2=CC=CC=C21	REAL300013321234	0	45	0.0	-62.43	350.01	8.68	-53.75
COC1=CC=CC2=C(NC3CC(C(=O)[O-])C4=CC=CC=C43)C=C(C)[NH+]=C12	REAL300013321242	1	46	0.0	-56.72	360.36	9.49	-47.23
CCC1=[NH+]C2=CC=CC=C2C(NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300013321251	0	45	0.0	-56.55	354.09	10.82	-45.73
CC(C)C1=[NH+]C(NC2CC(C(=O)[O-])C3=CC=CC=C32)=NC(N(C)C)=N1	REAL300013321265	1	48	0.0	-49.91	374.70	13.83	-36.08
CC(C)C1=NC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=NC(N(C)C)=[NH+]1	REAL300013321265	1	48	0.0	-57.00	378.44	13.91	-43.09
O=C([O-])C1CC(NC2=CC=[NH+]C(N3CCCCC3)=N2)C2=CC=CC=C21	REAL300013321273	0	47	0.0	-64.12	357.61	10.79	-53.33
CCC1=C(NC2CC(C(=O)[O-])C3=CC=CC=C32)C2=CC=CC=C2[NH+]=C1C	REAL300013321284	0	48	0.0	-54.99	367.91	11.10	-43.89
CC1=CC2=CC=CC=C2C(NC2CC(C(=O)[O-])C3=CC=CC=C32)=[NH+]1	REAL300013321286	0	42	0.0	-54.15	333.00	11.51	-42.64
CC1=[NH+]C=CC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1Cl	REAL300013321287	0	36	0.0	-66.07	301.00	8.34	-57.73
O=C([O-])C1CC(NC2=CC(N3CCCCC3CO)=NC=[NH+]2)C2=CC=CC=C21	REAL300013321294	0	51	0.0	-61.16	388.23	6.79	-54.37
O=C([O-])C1CC(NC2=CC(N3CCCCC3CO)=[NH+]C=N2)C2=CC=CC=C21	REAL300013321294	1	51	0.0	-63.73	389.90	7.08	-56.65
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300013321298	0	44	0.0	-71.57	359.94	10.72	-60.85
CC1=[NH+]C2=CC=CC=C2C(NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1C	REAL300013321305	0	45	0.0	-61.66	350.33	10.44	-51.22
CC1=C2[NH+]=CC(C)=C(NC3CC(C(=O)[O-])C4=CC=CC=C43)C2=CC=C1	REAL300013321313	0	45	0.0	-64.62	347.67	10.65	-53.97
O=C([O-])C1CC(NC2=CC=[NH+]C=C2Br)C2=CC=CC=C21	REAL300013321314	1	33	0.0	-68.52	288.47	8.04	-60.48
CN1CCN(C2=CC(NC3CC(C(=O)[O-])C4=CC=CC=C43)=[NH+]C=N2)CC1=O	REAL300013321315	0	48	0.0	-69.01	374.99	8.41	-60.60
CN1CCN(C2=CC(NC3CC(C(=O)[O-])C4=CC=CC=C43)=NC=[NH+]2)CC1=O	REAL300013321315	1	48	0.0	-64.29	368.78	7.54	-56.75
CCOC(=O)C1=C[NH+]=CC=C1NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013321332	1	42	0.0	-75.97	340.62	9.14	-66.83
O=C([O-])C1CC(NC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)C2=CC=CC=C21	REAL300013321353	0	50	0.0	-66.69	400.97	12.38	-54.31
CCCCNC1=CC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=NC(N)=[NH+]1	REAL300013321370	0	48	0.0	-61.49	377.74	9.42	-52.07
CCCCNC1=CC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=[NH+]C(N)=N1	REAL300013321370	1	48	0.0	-54.90	377.75	9.32	-45.58
O=C([O-])C1CC(NC2=CC=[NH+]C=C2Br)C2=CC=CC=C21	REAL300013321379	1	33	0.0	-68.52	288.47	8.04	-60.48
CC(C)NC1=[NH+]C(NCCO)=NC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013321386	0	51	0.0	-57.81	406.33	10.19	-47.62
CC(C)NC1=NC(NCCO)=[NH+]C(NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013321386	1	51	0.0	-53.34	404.94	10.38	-42.96
CC(C)NC1=NC(NCCO)=NC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=[NH+]1	REAL300013321386	1	51	0.0	-53.61	409.05	10.52	-43.09
CCNC1=NC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=NC(NC(C)(C)C)=[NH+]1	REAL300013321401	0	53	0.0	-55.73	406.98	14.37	-41.36
CCNC1=[NH+]C(NC2CC(C(=O)[O-])C3=CC=CC=C32)=NC(NC(C)(C)C)=N1	REAL300013321401	1	53	0.0	-52.54	406.28	14.61	-37.93
CCNC1=NC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=[NH+]C(NC(C)(C)C)=N1	REAL300013321401	1	53	0.0	-52.55	409.29	14.70	-37.85
CN(C1=CC=CC=C1)C1=CC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=[NH+]C=N1	REAL300013321428	1	47	0.0	-61.73	375.79	12.11	-49.62
CC(O)C1CCN(C2=CC(NC3CC(C(=O)[O-])C4=CC=CC=C43)=[NH+]C=N2)C1	REAL300013321455	0	51	0.0	-60.98	391.92	7.66	-53.32
CC(O)C1CCN(C2=CC(NC3CC(C(=O)[O-])C4=CC=CC=C43)=NC=[NH+]2)C1	REAL300013321455	1	51	0.0	-64.23	389.02	7.29	-56.94
O=C([O-])C1CC(NC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C2=CC=CC=C21	REAL300013321458	1	42	0.0	-59.13	338.08	11.54	-47.59
CCCC1=CC2=C(NC3CC(C(=O)[O-])C4=CC=CC=C43)C=C[NH+]=C2C=C1	REAL300013321462	0	48	0.0	-62.39	374.94	11.68	-50.71
CCC1=CC2=C(NC3CC(C(=O)[O-])C4=CC=CC=C43)C=C[NH+]=C2C=C1	REAL300013321463	0	45	0.0	-62.17	353.44	10.90	-51.27
CC(C)OC1=CC2=C(NC3CC(C(=O)[O-])C4=CC=CC=C43)C=C[NH+]=C2C=C1	REAL300013321467	0	49	0.0	-66.38	379.70	10.33	-56.05
O=C([O-])C1CC(NC2=CC(NC3CC3)=[NH+]C=N2)C2=CC=CC=C21	REAL300013321475	0	41	0.0	-64.10	329.03	9.31	-54.79
O=C([O-])C1CC(NC2=CC(NC3CC3)=NC=[NH+]2)C2=CC=CC=C21	REAL300013321475	1	41	0.0	-59.55	328.24	9.30	-50.25
CC1=[NH+]C2=CC=CC=C2C(NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300013321523	0	42	0.0	-57.72	332.68	10.08	-47.64
O=C([O-])C1CC(NC2=CC=[NH+]C3=CC=C(Br)C=C23)C2=CC=CC=C21	REAL300013321587	1	39	0.0	-66.40	331.86	10.10	-56.30
CCOC1=CC2=[NH+]C=CC(NC3CC(C(=O)[O-])C4=CC=CC=C43)=C2C=C1OCC	REAL300013321606	0	53	0.0	-65.61	412.74	10.57	-55.04
O=C([O-])C1CC(NC2=[NH+]C=CC(N3CCCC3)=N2)C2=CC=CC=C21	REAL300013321618	0	44	0.0	-62.11	341.89	10.72	-51.39
O=C([O-])C1CC(NC2=CC=[NH+]C3=CC(F)=CC=C23)C2=CC=CC=C21	REAL300013321637	0	39	0.0	-65.45	317.12	9.56	-55.89
O=C([O-])C1CC(NC2=[NH+]C=CC3=CC(F)=CC=C32)C2=CC=CC=C21	REAL300013321655	1	39	0.0	-58.65	318.14	10.89	-47.76
CC1=CC2=C(NC3CC(C(=O)[O-])C4=CC=CC=C43)[NH+]=CC=C2C=C1	REAL300013321656	1	42	0.0	-55.86	333.09	11.48	-44.38
CC1=CC=CC2=C(NC3CC(C(=O)[O-])C4=CC=CC=C43)[NH+]=CC=C12	REAL300013321657	1	42	0.0	-55.58	329.64	11.36	-44.22
CC1(C)CCCN(C2=CC=[NH+]C(NC3CC(C(=O)[O-])C4=CC=CC=C43)=N2)C1	REAL300013321663	0	53	0.0	-60.78	396.77	12.55	-48.23
CC1=CC2=C(NC3CC(C(=O)[O-])C4=CC=CC=C43)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013321668	0	52	0.0	-62.02	390.49	11.92	-50.10
CC1=CC(C(F)(F)F)=CC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=[NH+]1	REAL300013321672	1	39	0.0	-59.74	327.53	9.71	-50.03
COC1=CC2=[NH+]C=CC(NC3CC(C(=O)[O-])C4=CC=CC=C43)=C2C=C1OC	REAL300013321679	0	47	0.0	-65.76	369.03	8.73	-57.03
COC1=C(N)[NH+]=CN=C1NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013321695	0	38	0.0	-67.27	314.27	6.87	-60.40
COC1=C(N)N=C[NH+]=C1NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013321695	1	38	0.0	-60.08	310.45	6.64	-53.44
O=C([O-])C1CC(NC2=C3SC=CC3=[NH+]C=C2)C2=CC=CC=C21	REAL300013321706	1	36	0.0	-63.94	304.63	8.55	-55.39
O=C([O-])C1CC(NC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C2=CC=CC=C21	REAL300013321723	0	48	0.0	-65.72	381.68	12.54	-53.18
O=C([O-])C1CC(NC2=[NH+]C=CC3=CC=CC=C32)C2=CC=CC=C21	REAL300013321738	1	39	0.0	-57.54	311.72	10.94	-46.60
CC1=CC=C2C(NC3CC(C(=O)[O-])C4=CC=CC=C43)=CC(C)=[NH+]C2=C1Cl	REAL300013321760	0	45	0.0	-56.19	364.97	11.22	-44.97
O=C([O-])C1CC(NC2=[NH+]C=CC3=CC=CC=C32)C2=CC=CC=C21	REAL300013321762	1	39	0.0	-57.54	311.72	10.94	-46.60
CC1=[NH+]C(NC2=CC=CC=C2)=CC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013321763	1	47	0.0	-59.70	374.08	10.96	-48.74
CC1=NC(NC2=CC=CC=C2)=CC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=[NH+]1	REAL300013321763	1	47	0.0	-55.03	374.01	11.05	-43.98
CC1=[NH+]C=CC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1Br	REAL300013321767	0	36	0.0	-65.94	304.59	8.44	-57.50
CN(C1=CC=[NH+]C(NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1)C1CCCCC1	REAL300013321769	0	53	0.0	-61.25	397.96	13.96	-47.29
CC1=CC(N(C)C(C)C)=NC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=[NH+]1	REAL300013321770	0	49	0.0	-54.92	377.79	12.36	-42.56
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=[NH+]1	REAL300013321774	0	50	0.0	-53.40	401.02	14.38	-39.02
CC1=CC(N2C=CC=N2)=NC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=[NH+]1	REAL300013321775	1	42	0.0	-57.09	346.00	11.54	-45.55
CC1=CC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=NC(N(C)C(C)C)=[NH+]1	REAL300013321778	0	49	0.0	-58.40	375.91	12.34	-46.06
CN(C1=[NH+]C=CC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1)C1CCCCC1	REAL300013321781	0	53	0.0	-63.21	396.78	13.67	-49.54
CC1=CC=CC2=CC=[NH+]C(NC3CC(C(=O)[O-])C4=CC=CC=C43)=C12	REAL300013321810	1	42	0.0	-54.27	326.76	11.85	-42.42
O=C([O-])C1CC(NC2=C3C=CNC3=NC(C3CC3)=[NH+]2)C2=CC=CC=C21	REAL300013321837	1	43	0.0	-51.46	345.02	10.88	-40.58
O=C([O-])C1CC(NC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)C2=CC=CC=C21	REAL300013321838	0	43	0.0	-66.82	356.61	9.29	-57.53
CN(C)C1=CC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=[NH+]C(N(C)C)=N1	REAL300013321845	0	48	0.0	-52.01	371.11	11.93	-40.08
CN(C)C1=CC(NC2CC(C(=O)[O-])C3=CC=CC=C32)=NC(N(C)C)=[NH+]1	REAL300013321845	1	48	0.0	-58.18	367.46	11.82	-46.36
CC1=C(Cl)C2=[NH+]C=CC(NC3CC(C(=O)[O-])C4=CC=CC=C43)=C2C=C1	REAL300013321853	1	42	0.0	-58.31	343.65	10.63	-47.68
COC1=CC=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)N=C1	REAL300013321858	0	42	0.0	-50.70	331.91	7.86	-42.84
COC1=CC=C(Cl)C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1	REAL300013321864	0	42	0.0	-49.93	348.06	8.19	-41.74
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(CCC3=CC=CC=C3C2)CC1	REAL300013321870	0	46	0.0	-52.23	338.47	11.64	-40.59
CNC(=O)C1(C(F)(F)F)CCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013321880	0	36	0.0	-60.22	301.76	5.38	-54.84
CC1(C2=CC=CC(F)=C2)CCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013321886	0	39	0.0	-47.25	310.35	10.04	-37.21
O=C([O-])[C@@H]1CC[C@H](NC2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013321903	0	41	0.0	-60.85	325.09	8.39	-52.46
O=C([O-])[C@@H]1CC[C@H](NC2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013321903	1	41	0.0	-62.49	324.10	8.01	-54.48
O=C([O-])[C@@H]1CC[C@H](NC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013321908	0	47	0.0	-59.94	357.37	5.85	-54.09
O=C([O-])[C@@H]1CC[C@H](NC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013321908	1	47	0.0	-63.63	355.61	5.65	-57.98
COC1=CC=C(NC2=CC(N[C@H]3CC[C@@H](C(=O)[O-])C3)=[NH+]C=N2)C(OC)=C1	REAL300013321910	1	48	0.0	-62.31	378.35	8.96	-53.35
COC1=CC2=NC(N[C@H]3CC[C@@H](C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013321925	0	44	0.0	-63.92	346.48	7.14	-56.78
O=C([O-])[C@@H]1CC[C@H](NC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)C1	REAL300013321932	0	38	0.0	-62.81	316.53	8.58	-54.23
CC(C)(C)C1=CC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=NC(C(C)(C)C)=[NH+]1	REAL300013321938	1	52	0.0	-53.30	386.60	10.39	-42.91
CC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013321946	1	43	0.0	-68.04	356.53	10.51	-57.53
O=C([O-])[C@@H]1CC[C@H](NC2=CC=[NH+]C3=CC(Br)=CC=C23)C1	REAL300013321975	1	35	0.0	-60.61	299.25	8.18	-52.43
CC1=[NH+]C2=CC=C(Br)C=C2C(N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1C	REAL300013321997	0	41	0.0	-61.92	335.49	9.13	-52.79
COC1=CC=CC2=C(N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013322023	1	42	0.0	-52.87	326.86	7.56	-45.31
CCOC(=O)C1=C(N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013322024	1	47	0.0	-71.00	374.78	7.74	-63.26
CCOC(=O)C1=C(N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013322025	1	50	0.0	-64.52	380.89	10.24	-54.28
O=C([O-])[C@@H]1CC[C@H](NC2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013322044	0	47	0.0	-58.75	356.39	5.66	-53.09
O=C([O-])[C@@H]1CC[C@H](NC2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013322044	1	47	0.0	-59.47	356.17	5.18	-54.29
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013322048	0	40	0.0	-69.80	327.34	8.87	-60.93
CN1CCN(C2=CC(N[C@H]3CC[C@@H](C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013322056	0	44	0.0	-65.87	342.68	6.57	-59.30
CN1CCN(C2=CC(N[C@H]3CC[C@@H](C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013322056	1	44	0.0	-70.19	340.09	6.36	-63.83
CC(C)C1OCCCC1NC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=[NH+]C=N1	REAL300013322064	0	53	0.0	-56.81	394.05	9.33	-47.48
CC(C)C1OCCCC1NC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=NC=[NH+]1	REAL300013322064	1	53	0.0	-60.11	393.16	9.34	-50.77
COC1=CC=CC2=C(N[C@H]3CC[C@@H](C(=O)[O-])C3)C(C)=C[NH+]=C12	REAL300013322072	1	42	0.0	-58.79	324.96	7.38	-51.41
O=C([O-])[C@@H]1CC[C@H](NC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)C1	REAL300013322082	0	46	0.0	-65.77	368.47	10.56	-55.21
O=C([O-])[C@@H]1CC[C@H](NC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013322088	1	42	0.0	-50.36	345.64	10.49	-39.87
CC(C)NC1=[NH+]C(NCCO)=NC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013322103	0	47	0.0	-55.79	371.84	8.39	-47.40
CC(C)NC1=NC(NCCO)=[NH+]C(N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013322103	1	47	0.0	-53.16	372.06	8.38	-44.78
CC(C)NC1=NC(NCCO)=NC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013322103	1	47	0.0	-52.42	371.41	8.36	-44.06
CCNC1=[NH+]C(N[C@H]2CC[C@@H](C(=O)[O-])C2)=NC(NC(C)(C)C)=N1	REAL300013322113	0	49	0.0	-51.72	373.26	12.61	-39.11
CCNC1=NC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=NC(NC(C)(C)C)=[NH+]1	REAL300013322113	1	49	0.0	-51.86	371.47	12.32	-39.54
CCNC1=NC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=[NH+]C(NC(C)(C)C)=N1	REAL300013322113	1	49	0.0	-48.11	370.11	12.28	-35.83
CN(C1=CC=CC=C1)C1=CC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=[NH+]C=N1	REAL300013322124	1	43	0.0	-57.06	344.72	11.06	-46.00
O=C([O-])[C@@H]1CC[C@H](NC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)C1	REAL300013322143	1	35	0.0	-65.34	300.49	8.21	-57.13
CC(O)C1CCN(C2=CC(N[C@H]3CC[C@@H](C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013322144	0	47	0.0	-58.36	359.72	5.88	-52.48
CC(O)C1CCN(C2=CC(N[C@H]3CC[C@@H](C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013322144	1	47	0.0	-58.63	354.51	5.46	-53.17
CC(C)OC1=CC2=C(N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013322149	0	45	0.0	-63.56	347.12	8.49	-55.07
CCC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013322233	1	46	0.0	-66.38	377.96	11.25	-55.13
C[NH+](C)CC1=NC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013322254	1	52	0.0	-64.19	418.04	12.41	-51.78
O=C([O-])[C@@H]1CC[C@H](NC2=CC=[NH+]C3=CC=C(Br)C=C23)C1	REAL300013322255	1	35	0.0	-63.48	299.25	8.26	-55.22
O=C([O-])[C@@H]1CC[C@H](NC2=CC=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013322262	1	35	0.0	-56.15	296.60	8.34	-47.81
CCOC1=CC2=[NH+]C=CC(N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2C=C1OCC	REAL300013322270	0	49	0.0	-62.95	380.09	8.73	-54.22
CCC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013322272	1	43	0.0	-60.54	344.95	8.80	-51.74
COC1=CC2=[NH+]C=CC(N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2C=C1Br	REAL300013322303	0	39	0.0	-64.76	327.74	7.62	-57.14
CC1(C)CCCN(C2=CC=[NH+]C(N[C@H]3CC[C@@H](C(=O)[O-])C3)=N2)C1	REAL300013322311	0	49	0.0	-60.32	363.00	10.71	-49.61
CC1=CC2=C(N[C@H]3CC[C@@H](C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013322316	0	48	0.0	-56.40	360.06	10.15	-46.25
COC1=CC2=[NH+]C=CC(N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2C=C1OC	REAL300013322321	0	43	0.0	-63.20	336.37	6.89	-56.31
O=C([O-])[C@@H]1CC[C@H](NC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013322340	0	44	0.0	-63.43	347.99	10.52	-52.91
CC1=CC=C2C(N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013322356	0	41	0.0	-51.22	332.31	9.36	-41.86
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013322359	0	43	0.0	-56.92	341.54	9.19	-47.73
CC1=NC(NC2=CC=CC=C2)=CC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013322359	1	43	0.0	-55.38	343.83	10.04	-45.34
CN(C1=CC=[NH+]C(N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013322363	0	49	0.0	-58.65	364.11	11.81	-46.84
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013322366	0	46	0.0	-57.68	365.89	12.51	-45.17
CN(C1=[NH+]C=CC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013322369	0	49	0.0	-61.44	363.47	11.87	-49.57
CC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013322371	1	46	0.0	-59.35	365.21	12.52	-46.83
O=C([O-])[C@@H]1CC[C@H](NC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)C1	REAL300013322405	0	39	0.0	-62.07	323.89	7.38	-54.69
CC1=C(Cl)C2=[NH+]C=CC(N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2C=C1	REAL300013322411	1	38	0.0	-56.08	311.01	8.80	-47.28
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(C1)SC(C1=CC=CC=C1)=N2	REAL300013322415	0	39	0.0	-38.92	321.71	9.15	-29.77
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(C1)C1=CC(Br)=CC=C1N2	REAL300013322421	0	37	0.0	-51.59	322.23	9.74	-41.85
COC1=CC=C(Br)C2=C1CN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013322433	0	37	0.0	-50.47	315.03	8.98	-41.49
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC=C(Cl)C(Cl)=C2C1	REAL300013322440	0	33	0.0	-38.17	285.19	8.94	-29.23
CC1C[N@H+](CCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C(C)CO1	REAL300013322484	1	44	0.0	-103.98	342.27	6.80	-97.18
CC1C[N@@H+](CCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C(C)CO1	REAL300013322484	1	44	0.0	-103.01	335.55	6.79	-96.22
CN(CCC[NH+](C)C)CCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013322485	0	44	0.0	-69.14	357.64	6.31	-62.83
CN(CCC[NH+](C)C)CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013322486	0	47	0.0	-100.92	370.81	6.64	-94.28
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCC(CCC(=O)[O-])CC2)=C1	REAL300013322510	0	44	0.0	-63.63	338.67	9.27	-54.36
O=C([O-])CCC1CCN(C2=CC(N3CCSCC3)=NC=[NH+]2)CC1	REAL300013322517	0	47	0.0	-64.47	358.92	9.58	-54.89
O=C([O-])CCC1CCN(C2=CC(N3CCSCC3)=[NH+]C=N2)CC1	REAL300013322517	1	47	0.0	-66.41	360.30	9.31	-57.10
O=C([O-])CCC1CCN(C2=CC(NCC3CC3)=[NH+]C=N2)CC1	REAL300013322525	0	46	0.0	-64.24	354.20	9.45	-54.79
O=C([O-])CCC1CCN(C2=CC(NCC3CC3)=NC=[NH+]2)CC1	REAL300013322525	1	46	0.0	-61.12	351.77	9.30	-51.82
O=C([O-])CCC1CCN(C2=CC(N3CCCC3)=[NH+]C=N2)CC1	REAL300013322536	0	46	0.0	-62.32	344.46	8.76	-53.56
O=C([O-])CCC1CCN(C2=CC(N3CCCC3)=NC=[NH+]2)CC1	REAL300013322536	1	46	0.0	-61.79	342.71	8.96	-52.83
O=C([O-])CCC1CCN(C2=CC(N3CCCCC3)=[NH+]C=N2)CC1	REAL300013322537	0	49	0.0	-63.15	359.63	9.70	-53.45
O=C([O-])CCC1CCN(C2=CC(N3CCCCC3)=NC=[NH+]2)CC1	REAL300013322537	1	49	0.0	-61.45	359.56	9.70	-51.75
O=C([O-])CCC1CCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CC1	REAL300013322538	0	53	0.0	-64.59	391.22	6.98	-57.61
O=C([O-])CCC1CCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CC1	REAL300013322538	1	53	0.0	-67.01	391.20	6.98	-60.03
CCCC1=[NH+]C2=CC=CC=C2C(N2CCC(CCC(=O)[O-])CC2)=C1	REAL300013322539	0	50	0.0	-58.07	375.15	10.72	-47.35
COC1=CC2=NC(N3CCC(CCC(=O)[O-])CC3)=[NH+]C(N)=C2C=C1OC	REAL300013322570	0	50	0.0	-64.43	382.48	8.05	-56.38
O=C([O-])CCC1CCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)CC1	REAL300013322583	0	44	0.0	-67.44	349.49	9.65	-57.79
O=C([O-])CCC1CCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)CC1	REAL300013322594	1	41	0.0	-67.56	327.67	9.15	-58.41
O=C([O-])CCC1CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300013322597	1	38	0.0	-67.44	307.74	8.44	-59.00
CC(C)(C)C1=CC(N2CCC(CCC(=O)[O-])CC2)=NC(C(C)(C)C)=[NH+]1	REAL300013322598	1	58	0.0	-55.90	422.80	11.64	-44.26
O=C([O-])CCC1CCN(C2=CC(N3CCOCC3)=NC=[NH+]2)CC1	REAL300013322606	0	47	0.0	-63.31	350.68	7.24	-56.07
O=C([O-])CCC1CCN(C2=CC(N3CCOCC3)=[NH+]C=N2)CC1	REAL300013322606	1	47	0.0	-65.18	350.65	7.25	-57.93
CC1=CC(N2CCC(CCC(=O)[O-])CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013322613	1	49	0.0	-71.44	392.75	11.79	-59.65
CC1=CC2=[NH+]C(N3CCC(CCC(=O)[O-])CC3)=CC(C)=C2C=C1	REAL300013322626	1	47	0.0	-55.57	353.42	10.59	-44.98
O=C([O-])CCC1CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC1	REAL300013322644	1	41	0.0	-64.79	327.66	9.15	-55.64
O=C([O-])CCC1CCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)CC1	REAL300013322657	1	41	0.0	-65.06	332.22	9.25	-55.81
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCC(CCC(=O)[O-])CC2)=C1C	REAL300013322687	0	47	0.0	-62.74	366.96	10.58	-52.16
CC(O)CNC1=CC(N2CCC(CCC(=O)[O-])CC2)=NC=[NH+]1	REAL300013322708	0	46	0.0	-64.83	355.08	5.33	-59.50
CC(O)CNC1=CC(N2CCC(CCC(=O)[O-])CC2)=[NH+]C=N1	REAL300013322708	1	46	0.0	-62.17	352.44	5.22	-56.95
NC1=[NH+]C(N2CCC(CCC(=O)[O-])CC2)=CC(N2C=CC=N2)=N1	REAL300013322716	0	43	0.0	-62.23	339.46	8.90	-53.33
O=C([O-])CCC1CCN(C2=[NH+]C=CC(N3CCOCC3)=N2)CC1	REAL300013322720	0	47	0.0	-64.80	352.99	7.79	-57.01
COC1=CC=CC2=C(N3CCC(CCC(=O)[O-])CC3)C=C(C)[NH+]=C12	REAL300013322725	1	48	0.0	-56.73	360.61	8.64	-48.09
CCOC(=O)C1=C(N2CCC(CCC(=O)[O-])CC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013322726	1	56	0.0	-66.39	418.56	12.26	-54.13
CCC1=[NH+]C2=CC=CC=C2C(N2CCC(CCC(=O)[O-])CC2)=C1	REAL300013322737	0	47	0.0	-57.96	353.65	9.95	-48.01
O=C([O-])CCC1CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300013322741	1	38	0.0	-67.44	307.74	8.44	-59.00
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013322751	1	50	0.0	-57.77	377.78	12.71	-45.06
CC(C)C1=NC(N(C)C)=NC(N2CCC(CCC(=O)[O-])CC2)=[NH+]1	REAL300013322751	1	50	0.0	-53.78	378.15	12.86	-40.92
O=C([O-])CCC1CCN(C2=CC=[NH+]C(N3CCCCC3)=N2)CC1	REAL300013322757	0	49	0.0	-63.37	361.89	10.25	-53.12
CCC1=C(N2CCC(CCC(=O)[O-])CC2)C2=CC=CC=C2[NH+]=C1C	REAL300013322770	0	50	0.0	-59.47	367.18	10.70	-48.77
O=C([O-])CCC1CCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)CC1	REAL300013322777	0	53	0.0	-63.97	390.23	6.79	-57.18
O=C([O-])CCC1CCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)CC1	REAL300013322777	1	53	0.0	-64.54	392.38	6.48	-58.06
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCC(CCC(=O)[O-])CC2)=C1	REAL300013322781	0	46	0.0	-72.84	360.31	9.87	-62.97
CC1=[NH+]C2=CC=CC=C2C(N2CCC(CCC(=O)[O-])CC2)=C1C	REAL300013322787	0	47	0.0	-59.25	345.70	9.96	-49.29
CC1=C2[NH+]=CC(C)=C(N3CCC(CCC(=O)[O-])CC3)C2=CC=C1	REAL300013322794	0	47	0.0	-61.71	346.90	10.26	-51.45
O=C([O-])CCC1CCN(C2=CC=[NH+]C=C2Br)CC1	REAL300013322796	1	35	0.0	-70.64	293.17	7.54	-63.10
CN1CCN(C2=CC(N3CCC(CCC(=O)[O-])CC3)=[NH+]C=N2)CC1=O	REAL300013322797	0	50	0.0	-70.69	376.19	7.69	-63.00
CN1CCN(C2=CC(N3CCC(CCC(=O)[O-])CC3)=NC=[NH+]2)CC1=O	REAL300013322797	1	50	0.0	-64.75	372.50	7.05	-57.70
CC(C)C1OCCCC1NC1=CC(N2CCC(CCC(=O)[O-])CC2)=NC=[NH+]1	REAL300013322809	0	59	0.0	-63.47	430.30	10.61	-52.86
CC(C)C1OCCCC1NC1=CC(N2CCC(CCC(=O)[O-])CC2)=[NH+]C=N1	REAL300013322809	1	59	0.0	-61.37	427.93	10.46	-50.91
CCOC(=O)C1=C[NH+]=CC=C1N1CCC(CCC(=O)[O-])CC1	REAL300013322811	1	44	0.0	-78.38	347.13	9.21	-69.17
O=C([O-])CCC1CCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)CC1	REAL300013322832	0	52	0.0	-69.76	401.40	11.56	-58.20
CCCCNC1=CC(N2CCC(CCC(=O)[O-])CC2)=NC(N)=[NH+]1	REAL300013322847	0	50	0.0	-60.60	380.65	8.82	-51.78
CCCCNC1=CC(N2CCC(CCC(=O)[O-])CC2)=[NH+]C(N)=N1	REAL300013322847	1	50	0.0	-57.53	378.26	8.65	-48.88
O=C([O-])CCC1CCN(C2=CC=[NH+]C=C2Br)CC1	REAL300013322855	1	35	0.0	-70.64	293.17	7.54	-63.10
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013322860	0	53	0.0	-59.48	407.15	9.14	-50.34
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013322860	1	53	0.0	-55.70	408.19	9.22	-46.48
CC(C)NC1=NC(NCCO)=NC(N2CCC(CCC(=O)[O-])CC2)=[NH+]1	REAL300013322860	1	53	0.0	-54.86	407.47	9.20	-45.66
O=C([O-])CCC1CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300013322870	1	38	0.0	-67.44	307.74	8.44	-59.00
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013322875	0	55	0.0	-56.18	406.75	13.11	-43.07
CCNC1=NC(NC(C)(C)C)=NC(N2CCC(CCC(=O)[O-])CC2)=[NH+]1	REAL300013322875	1	55	0.0	-53.86	409.35	13.46	-40.40
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013322875	1	55	0.0	-51.54	406.21	13.10	-38.44
CC(O)C1CCN(C2=CC(N3CCC(CCC(=O)[O-])CC3)=[NH+]C=N2)C1	REAL300013322923	0	53	0.0	-63.58	393.09	6.96	-56.62
CC(O)C1CCN(C2=CC(N3CCC(CCC(=O)[O-])CC3)=NC=[NH+]2)C1	REAL300013322923	1	53	0.0	-63.10	392.71	6.69	-56.41
O=C([O-])CCC1CCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CC1	REAL300013322925	1	44	0.0	-62.21	346.11	10.29	-51.92
CCCC1=CC2=C(N3CCC(CCC(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013322929	0	50	0.0	-63.56	375.32	10.84	-52.72
CCC1=CC2=C(N3CCC(CCC(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013322930	0	47	0.0	-63.39	353.82	10.07	-53.32
CC(C)OC1=CC2=C(N3CCC(CCC(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013322933	0	51	0.0	-67.31	380.63	9.50	-57.81
O=C([O-])CCC1CCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)CC1	REAL300013323057	1	41	0.0	-67.72	332.23	9.25	-58.47
CCOC1=CC2=[NH+]C=CC(N3CCC(CCC(=O)[O-])CC3)=C2C=C1OCC	REAL300013323076	0	55	0.0	-66.73	413.07	9.72	-57.01
CCC1=CC(N2CCC(CCC(=O)[O-])CC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013323078	1	49	0.0	-63.30	381.17	10.07	-53.23
O=C([O-])CCC1CCN(C2=[NH+]C=CC(N3CCCC3)=N2)CC1	REAL300013323090	0	46	0.0	-62.14	345.05	9.49	-52.65
O=C([O-])CCC1CCN(C2=CC=[NH+]C3=CC(F)=CC=C32)CC1	REAL300013323111	0	41	0.0	-65.07	317.36	8.72	-56.35
COC1=CC2=[NH+]C=CC(N3CCC(CCC(=O)[O-])CC3)=C2C=C1Br	REAL300013323125	0	45	0.0	-68.79	360.71	8.61	-60.18
CC1(C)CCCN(C2=CC=[NH+]C(N3CCC(CCC(=O)[O-])CC3)=N2)C1	REAL300013323136	0	55	0.0	-62.40	398.40	11.61	-50.79
CC1=CC2=C(N3CCC(CCC(=O)[O-])CC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013323141	0	54	0.0	-58.88	396.65	11.99	-46.89
CC1=CC(C(F)(F)F)=CC(N2CCC(CCC(=O)[O-])CC2)=[NH+]1	REAL300013323144	0	41	0.0	-61.42	328.88	8.84	-52.58
O=C([O-])CCC1CCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CC1	REAL300013323146	1	46	0.0	-64.79	356.12	10.55	-54.24
COC1=CC2=[NH+]C=CC(N3CCC(CCC(=O)[O-])CC3)=C2C=C1OC	REAL300013323150	0	49	0.0	-66.94	369.35	7.88	-59.06
O=C([O-])CCC1CCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CC1	REAL300013323187	0	50	0.0	-64.23	382.21	11.26	-52.97
CC1=CC=C2C(N3CCC(CCC(=O)[O-])CC3)=CC(C)=[NH+]C2=C1Cl	REAL300013323217	0	47	0.0	-56.24	365.28	10.37	-45.87
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013323219	0	49	0.0	-58.63	378.04	10.92	-47.71
CC1=NC(NC2=CC=CC=C2)=CC(N2CCC(CCC(=O)[O-])CC2)=[NH+]1	REAL300013323219	1	49	0.0	-58.28	375.29	10.33	-47.95
CC1=[NH+]C=CC(N2CCC(CCC(=O)[O-])CC2)=C1Br	REAL300013323222	0	38	0.0	-67.09	304.35	7.64	-59.45
CN(C1=CC=[NH+]C(N2CCC(CCC(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013323224	0	55	0.0	-60.25	400.15	12.70	-47.55
CC1=CC(N(C)C(C)C)=NC(N2CCC(CCC(=O)[O-])CC2)=[NH+]1	REAL300013323225	0	51	0.0	-56.58	379.43	11.40	-45.18
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC(CCC(=O)[O-])CC2)=[NH+]1	REAL300013323229	0	52	0.0	-61.06	400.91	12.59	-48.47
CC1=CC(N2C=CC=N2)=NC(N2CCC(CCC(=O)[O-])CC2)=[NH+]1	REAL300013323230	1	44	0.0	-59.78	348.33	10.63	-49.15
CC1=CC(N2CCC(CCC(=O)[O-])CC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013323233	0	51	0.0	-58.72	379.59	11.86	-46.86
CN(C1=[NH+]C=CC(N2CCC(CCC(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013323236	0	55	0.0	-63.13	399.67	13.16	-49.97
CC1=CC(N2CCC(CCC(=O)[O-])CC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013323238	1	52	0.0	-60.56	401.46	13.83	-46.73
O=C([O-])CCC1CCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)CC1	REAL300013323283	0	45	0.0	-55.75	349.14	9.69	-46.06
O=C([O-])CCC1CCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)CC1	REAL300013323284	0	45	0.0	-66.48	356.85	8.43	-58.05
CN(C)C1=CC(N2CCC(CCC(=O)[O-])CC2)=NC(N(C)C)=[NH+]1	REAL300013323288	1	50	0.0	-57.18	371.00	11.35	-45.83
CN(C)C1=CC(N2CCC(CCC(=O)[O-])CC2)=[NH+]C(N(C)C)=N1	REAL300013323288	1	50	0.0	-54.84	372.14	11.14	-43.70
CC1=C(Cl)C2=[NH+]C=CC(N3CCC(CCC(=O)[O-])CC3)=C2C=C1	REAL300013323296	1	44	0.0	-59.99	344.12	9.81	-50.18
CC1=[NH+]C2=CC=C(F)C=C2C(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1	REAL300013323311	0	40	0.0	-51.03	311.75	5.96	-45.07
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(N3CCSCC3)=NC=[NH+]1)C2	REAL300013323318	0	43	0.0	-51.12	332.79	6.13	-44.99
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(N3CCSCC3)=[NH+]C=N1)C2	REAL300013323318	1	43	0.0	-58.11	335.27	6.04	-52.07
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(NCC3CC3)=[NH+]C=N1)C2	REAL300013323326	0	42	0.0	-54.96	327.12	5.62	-49.34
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(NCC3CC3)=NC=[NH+]1)C2	REAL300013323326	1	42	0.0	-48.82	325.61	5.86	-42.96
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(N3CCCC3)=[NH+]C=N1)C2	REAL300013323337	0	42	0.0	-53.41	319.48	5.50	-47.91
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(N3CCCC3)=NC=[NH+]1)C2	REAL300013323337	1	42	0.0	-44.30	317.80	5.62	-38.68
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(N3CCCCC3)=[NH+]C=N1)C2	REAL300013323338	0	45	0.0	-54.64	332.55	5.86	-48.78
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(N3CCCCC3)=NC=[NH+]1)C2	REAL300013323338	1	45	0.0	-49.52	334.98	6.01	-43.51
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(N3CCCC(CO)C3)=[NH+]C=N1)C2	REAL300013323339	0	49	0.0	-55.67	369.91	3.41	-52.26
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(N3CCCC(CO)C3)=NC=[NH+]1)C2	REAL300013323339	1	49	0.0	-52.54	366.67	3.30	-49.24
CCCC1=[NH+]C2=CC=CC=C2C(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1	REAL300013323340	0	46	0.0	-48.92	348.31	7.40	-41.52
COC1=CC2=NC(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013323371	0	46	0.0	-59.95	357.21	4.61	-55.34
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC=[NH+]C3=CC(C(F)(F)F)=CC=C31)C2	REAL300013323384	0	40	0.0	-54.96	327.91	6.72	-48.24
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC=[NH+]C3=CC=C(Cl)C=C31)C2	REAL300013323395	1	37	0.0	-56.22	305.86	6.25	-49.97
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(C(F)(F)F)=CC=[NH+]1)C2	REAL300013323398	1	34	0.0	-49.50	283.60	5.09	-44.41
CC(C)(C)C1=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=NC(C(C)(C)C)=[NH+]1	REAL300013323399	1	54	0.0	-50.11	397.78	8.40	-41.71
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(N3CCOCC3)=NC=[NH+]1)C2	REAL300013323407	0	43	0.0	-50.74	325.85	3.58	-47.16
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(N3CCOCC3)=[NH+]C=N1)C2	REAL300013323407	1	43	0.0	-56.64	325.64	3.96	-52.68
CC1=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013323414	1	45	0.0	-65.74	367.57	8.56	-57.18
CC1=CC2=[NH+]C(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=CC(C)=C2C=C1	REAL300013323427	1	43	0.0	-42.37	329.80	7.45	-34.92
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC=[NH+]C3=CC(Cl)=CC=C31)C2	REAL300013323445	1	37	0.0	-52.86	306.07	6.21	-46.65
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC=[NH+]C3=CC(Br)=CC=C31)C2	REAL300013323458	1	37	0.0	-52.94	310.63	6.32	-46.62
CC1=[NH+]C2=CC=C(Br)C=C2C(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1C	REAL300013323488	0	43	0.0	-57.85	340.29	7.22	-50.63
CC(O)CNC1=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=NC=[NH+]1	REAL300013323509	0	42	0.0	-54.28	328.04	1.50	-52.78
CC(O)CNC1=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=[NH+]C=N1	REAL300013323509	1	42	0.0	-49.65	326.20	1.78	-47.87
NC1=[NH+]C(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=CC(N2C=CC=N2)=N1	REAL300013323517	0	39	0.0	-43.62	315.60	5.55	-38.07
O=C([O-])[C@@]12COC[C@@H]1CN(C1=[NH+]C=CC(N3CCOCC3)=N1)C2	REAL300013323521	0	43	0.0	-49.63	326.28	3.86	-45.77
COC1=CC=CC2=C(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013323526	1	44	0.0	-45.53	339.08	5.74	-39.79
CCOC(=O)C1=C(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013323527	1	52	0.0	-56.15	390.95	8.86	-47.29
CCC1=[NH+]C2=CC=CC=C2C(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1	REAL300013323538	0	43	0.0	-48.59	326.89	6.63	-41.96
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(C(F)(F)F)=CC=[NH+]1)C2	REAL300013323542	1	34	0.0	-49.50	283.60	5.09	-44.41
CC(C)C1=[NH+]C(N(C)C)=NC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013323552	1	46	0.0	-48.07	350.85	9.29	-38.78
CC(C)C1=NC(N(C)C)=NC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=[NH+]1	REAL300013323552	1	46	0.0	-37.84	350.78	9.02	-28.82
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC=[NH+]C(N3CCCCC3)=N1)C2	REAL300013323558	0	45	0.0	-59.58	336.90	6.97	-52.61
CCC1=C(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013323571	0	46	0.0	-52.52	339.56	7.32	-45.20
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(N3CCCCC3CO)=NC=[NH+]1)C2	REAL300013323578	0	49	0.0	-52.09	365.75	2.91	-49.18
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(N3CCCCC3CO)=[NH+]C=N1)C2	REAL300013323578	1	49	0.0	-57.40	365.29	2.64	-54.76
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1	REAL300013323582	0	42	0.0	-57.05	333.34	6.54	-50.51
CC1=[NH+]C2=CC=CC=C2C(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1C	REAL300013323588	0	43	0.0	-53.06	318.34	6.62	-46.44
CC1=C2[NH+]=CC(C)=C(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)C2=CC=C1	REAL300013323595	0	43	0.0	-50.49	318.03	6.81	-43.68
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC=[NH+]C=C1Br)C2	REAL300013323597	1	31	0.0	-58.39	264.90	4.11	-54.28
CN1CCN(C2=CC(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013323598	0	46	0.0	-58.99	350.51	4.21	-54.78
CN1CCN(C2=CC(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013323598	1	46	0.0	-65.75	351.13	4.42	-61.33
CC(C)C1OCCCC1NC1=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=NC=[NH+]1	REAL300013323610	0	55	0.0	-56.27	405.15	7.37	-48.90
CC(C)C1OCCCC1NC1=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=[NH+]C=N1	REAL300013323610	1	55	0.0	-49.66	402.45	6.82	-42.84
CCOC(=O)C1=C[NH+]=CC=C1N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013323612	1	40	0.0	-64.77	318.88	5.76	-59.01
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C31)C2	REAL300013323633	0	48	0.0	-58.37	378.05	8.58	-49.79
CCCCNC1=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013323648	0	46	0.0	-54.13	355.53	5.58	-48.55
CCCCNC1=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013323648	1	46	0.0	-41.79	354.26	5.31	-36.48
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC=[NH+]C=C1Br)C2	REAL300013323656	1	31	0.0	-58.39	264.90	4.11	-54.28
CC(C)NC1=[NH+]C(NCCO)=NC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013323661	0	49	0.0	-50.39	381.02	5.65	-44.74
CC(C)NC1=NC(NCCO)=[NH+]C(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013323661	1	49	0.0	-37.74	381.29	5.34	-32.40
CC(C)NC1=NC(NCCO)=NC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=[NH+]1	REAL300013323661	1	49	0.0	-38.14	380.62	5.31	-32.83
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(C(F)(F)F)=CC=[NH+]1)C2	REAL300013323671	1	34	0.0	-49.50	283.60	5.09	-44.41
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013323676	0	51	0.0	-48.97	384.47	9.99	-38.98
CCNC1=NC(NC(C)(C)C)=NC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=[NH+]1	REAL300013323676	1	51	0.0	-36.84	382.47	9.56	-27.28
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013323676	1	51	0.0	-37.86	384.08	9.63	-28.23
CC(O)C1CCN(C2=CC(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013323724	0	49	0.0	-55.99	362.14	3.87	-52.12
CC(O)C1CCN(C2=CC(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013323724	1	49	0.0	-50.46	368.54	3.25	-47.21
O=C([O-])[C@@]12COC[C@@H]1CN(C1=[NH+]C=NC3=C1C1=C(C=CC=C1)N3)C2	REAL300013323726	1	40	0.0	-44.42	317.58	7.13	-37.29
CCCC1=CC2=C(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013323730	0	46	0.0	-53.14	353.51	7.94	-45.20
CCC1=CC2=C(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013323731	0	43	0.0	-53.11	332.01	7.16	-45.95
CC(C)OC1=CC2=C(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013323734	0	47	0.0	-56.95	358.27	6.59	-50.36
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC=[NH+]C3=CC=C(Br)C=C31)C2	REAL300013323858	1	37	0.0	-56.13	310.42	6.36	-49.77
CCOC1=CC2=[NH+]C=CC(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=C2C=C1OCC	REAL300013323877	0	51	0.0	-54.96	391.27	6.83	-48.13
CCC1=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013323879	1	45	0.0	-57.81	356.35	6.84	-50.97
O=C([O-])[C@@]12COC[C@@H]1CN(C1=[NH+]C=CC(N3CCCC3)=N1)C2	REAL300013323891	0	42	0.0	-46.58	317.33	5.66	-40.92
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC=[NH+]C3=CC(F)=CC=C31)C2	REAL300013323912	0	37	0.0	-53.10	295.78	5.78	-47.32
COC1=CC2=[NH+]C=CC(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=C2C=C1Br	REAL300013323926	0	41	0.0	-59.15	333.48	5.28	-53.87
CC1(C)CCCN(C2=CC=[NH+]C(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=N2)C1	REAL300013323937	0	51	0.0	-62.23	374.62	7.66	-54.57
CC1=CC2=C(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013323942	0	50	0.0	-50.72	369.05	8.59	-42.13
CC1=CC(C(F)(F)F)=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=[NH+]1	REAL300013323945	0	37	0.0	-44.75	303.91	5.66	-39.09
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC(NC3=CC=CC=C3)=[NH+]C=N1)C2	REAL300013323947	1	42	0.0	-56.65	330.96	7.30	-49.35
COC1=CC2=[NH+]C=CC(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=C2C=C1OC	REAL300013323951	0	45	0.0	-57.61	342.13	4.54	-53.07
O=C([O-])[C@@]12COC[C@@H]1CN(C1=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N1)C2	REAL300013323988	0	46	0.0	-50.14	357.31	7.46	-42.68
CC1=[NH+]C2=C(Cl)C(C)=CC=C2C(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1	REAL300013324018	0	43	0.0	-43.97	343.47	7.47	-36.50
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013324020	0	45	0.0	-51.48	353.86	7.57	-43.91
CC1=NC(NC2=CC=CC=C2)=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=[NH+]1	REAL300013324020	1	45	0.0	-43.02	353.35	7.80	-35.22
CC1=[NH+]C=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1Br	REAL300013324023	0	34	0.0	-55.29	283.04	4.63	-50.66
CN(C1=CC=[NH+]C(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013324025	0	51	0.0	-46.63	372.75	8.87	-37.76
CC1=CC(N(C)C(C)C)=NC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=[NH+]1	REAL300013324026	0	47	0.0	-51.12	354.56	8.01	-43.11
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=[NH+]1	REAL300013324030	0	48	0.0	-56.08	375.69	9.12	-46.96
CC1=CC(N2C=CC=N2)=NC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=[NH+]1	REAL300013324031	1	40	0.0	-43.34	321.46	6.70	-36.64
CC1=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013324034	0	47	0.0	-53.95	354.77	8.64	-45.31
CN(C1=[NH+]C=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013324037	0	51	0.0	-60.50	374.51	9.93	-50.57
CC1=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013324039	1	48	0.0	-58.76	374.15	9.15	-49.61
O=C([O-])[C@@]12COC[C@@H]1CN(C1=C3C=CNC3=NC(C3CC3)=[NH+]1)C2	REAL300013324084	0	41	0.0	-40.96	320.68	6.51	-34.45
O=C([O-])[C@@]12COC[C@@H]1CN(C1=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C31)C2	REAL300013324085	0	41	0.0	-54.14	335.27	5.52	-48.62
CN(C)C1=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=NC(N(C)C)=[NH+]1	REAL300013324089	1	46	0.0	-47.70	344.45	7.52	-40.18
CN(C)C1=CC(N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=[NH+]C(N(C)C)=N1	REAL300013324089	1	46	0.0	-39.47	347.81	7.92	-31.55
CC1=C(Cl)C2=[NH+]C=CC(N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=C2C=C1	REAL300013324097	1	40	0.0	-47.71	322.18	6.89	-40.82
O=C([O-])C1=CC2=C(N3CC[NH+](C4CCOC4)CC3)N=CNC2=N1	REAL300013324110	0	42	0.0	-102.20	319.51	7.08	-95.12
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(C3=CC=CC=C3)C(C1)C2(F)F	REAL300013324116	0	40	0.0	-47.49	321.30	10.92	-36.57
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300013324123	0	38	0.0	-48.56	330.59	8.87	-39.69
CN(C)S(=O)(=O)N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013324129	0	39	0.0	-58.04	320.29	3.83	-54.21
N#CC1=CC=C(C2=CC(N3CCN(C4=[NH+]C=CC=C4C(=O)[O-])CC3)=NN2)C=C1	REAL300013324135	0	46	0.0	-57.41	382.41	9.25	-48.16
CC1=CC=C2NC3=C(CN(C4=[NH+]C=CC=C4C(=O)[O-])CC3)C2=C1	REAL300013324139	0	40	0.0	-52.35	322.24	9.79	-42.56
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=C(Cl)C=C2Cl)CC1	REAL300013324145	0	38	0.0	-46.74	329.11	9.02	-37.72
CC1=[NH+]C2=CC=C(F)C=C2C(NCC2(C(=O)[O-])CCCC2)=C1	REAL300013324171	0	41	0.0	-51.15	323.36	9.01	-42.14
O=C([O-])C1(CNC2=CC(N3CCSCC3)=NC=[NH+]2)CCCC1	REAL300013324177	0	44	0.0	-45.59	342.76	9.18	-36.41
O=C([O-])C1(CNC2=CC(N3CCSCC3)=[NH+]C=N2)CCCC1	REAL300013324177	1	44	0.0	-51.89	339.64	8.83	-43.06
O=C([O-])C1(CNC2=CC(N3CCCCC3)=NC=[NH+]2)CCCC1	REAL300013324189	0	46	0.0	-43.18	343.38	9.30	-33.88
O=C([O-])C1(CNC2=CC(N3CCCCC3)=[NH+]C=N2)CCCC1	REAL300013324189	1	46	0.0	-50.96	341.03	9.14	-41.82
O=C([O-])C1(CNC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CCCC1	REAL300013324190	0	50	0.0	-46.07	375.02	6.58	-39.49
O=C([O-])C1(CNC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CCCC1	REAL300013324190	1	50	0.0	-52.65	372.67	6.43	-46.22
CCCC1=[NH+]C2=CC=CC=C2C(NCC2(C(=O)[O-])CCCC2)=C1	REAL300013324191	0	47	0.0	-46.16	357.79	10.44	-35.72
COC1=CC=C(NC2=CC(NCC3(C(=O)[O-])CCCC3)=[NH+]C=N2)C(OC)=C1	REAL300013324193	1	51	0.0	-47.03	396.25	9.71	-37.32
COC1=CC2=NC(NCC3(C(=O)[O-])CCCC3)=[NH+]C(N)=C2C=C1OC	REAL300013324215	0	47	0.0	-53.94	363.95	7.83	-46.11
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)CCCC1	REAL300013324222	0	41	0.0	-51.42	334.19	9.37	-42.05
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(Cl)C=C23)CCCC1	REAL300013324229	1	38	0.0	-54.00	312.36	8.88	-45.12
CC(C)(C)C1=CC(NCC2(C(=O)[O-])CCCC2)=NC(C(C)(C)C)=[NH+]1	REAL300013324231	1	55	0.0	-45.31	404.24	11.13	-34.18
O=C([O-])C1(CNC2=CC(N3CCOCC3)=NC=[NH+]2)CCCC1	REAL300013324238	0	44	0.0	-44.93	334.52	6.84	-38.09
O=C([O-])C1(CNC2=CC(N3CCOCC3)=[NH+]C=N2)CCCC1	REAL300013324238	1	44	0.0	-51.33	332.12	6.70	-44.63
CC1=CC(NCC2(C(=O)[O-])CCCC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013324243	1	46	0.0	-57.58	374.20	11.27	-46.31
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(Cl)=CC=C23)CCCC1	REAL300013324267	1	38	0.0	-49.79	312.35	8.87	-40.92
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(Br)=CC=C23)CCCC1	REAL300013324276	1	38	0.0	-49.83	316.91	8.97	-40.86
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC2(C(=O)[O-])CCCC2)=C1C	REAL300013324302	0	44	0.0	-52.63	350.54	9.98	-42.65
NC1=[NH+]C(NCC2(C(=O)[O-])CCCC2)=CC(N2C=CC=N2)=N1	REAL300013324328	0	40	0.0	-42.94	323.33	8.51	-34.43
O=C([O-])C1(CNC2=[NH+]C=CC(N3CCOCC3)=N2)CCCC1	REAL300013324331	0	44	0.0	-52.34	334.43	7.60	-44.74
COC1=CC=CC2=C(NCC3(C(=O)[O-])CCCC3)C=C(C)[NH+]=C12	REAL300013324336	1	45	0.0	-43.86	343.19	8.34	-35.52
CCOC(=O)C1=C(NCC2(C(=O)[O-])CCCC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013324337	1	50	0.0	-62.94	385.57	8.53	-54.41
CCOC(=O)C1=C(NCC2(C(=O)[O-])CCCC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013324338	1	53	0.0	-54.56	394.21	11.18	-43.38
CC(C)C1=[NH+]C(NCC2(C(=O)[O-])CCCC2)=NC(N(C)C)=N1	REAL300013324350	1	47	0.0	-41.40	359.13	12.74	-28.66
CC(C)C1=NC(NCC2(C(=O)[O-])CCCC2)=NC(N(C)C)=[NH+]1	REAL300013324350	1	47	0.0	-46.95	359.61	12.59	-34.36
O=C([O-])C1(CNC2=CC=[NH+]C(N3CCCCC3)=N2)CCCC1	REAL300013324356	0	46	0.0	-52.40	343.35	9.70	-42.70
CCC1=C(NCC2(C(=O)[O-])CCCC2)C2=CC=CC=C2[NH+]=C1C	REAL300013324366	0	47	0.0	-54.65	348.30	10.10	-44.55
O=C([O-])C1(CNC2=CC(N3CCCCC3CO)=NC=[NH+]2)CCCC1	REAL300013324372	0	50	0.0	-44.99	373.32	5.75	-39.24
O=C([O-])C1(CNC2=CC(N3CCCCC3CO)=[NH+]C=N2)CCCC1	REAL300013324372	1	50	0.0	-51.81	371.99	5.92	-45.89
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC2(C(=O)[O-])CCCC2)=C1	REAL300013324377	0	43	0.0	-59.65	345.00	9.61	-50.04
CN1CCN(C2=CC(NCC3(C(=O)[O-])CCCC3)=[NH+]C=N2)CC1=O	REAL300013324387	0	47	0.0	-50.09	360.06	7.30	-42.79
CN1CCN(C2=CC(NCC3(C(=O)[O-])CCCC3)=NC=[NH+]2)CC1=O	REAL300013324387	1	47	0.0	-51.40	353.15	6.50	-44.90
CC(C)C1OCCCC1NC1=CC(NCC2(C(=O)[O-])CCCC2)=[NH+]C=N1	REAL300013324397	0	56	0.0	-42.81	412.91	9.90	-32.91
CC(C)C1OCCCC1NC1=CC(NCC2(C(=O)[O-])CCCC2)=NC=[NH+]1	REAL300013324397	1	56	0.0	-51.82	409.62	10.03	-41.79
COC1=CC=CC2=C(NCC3(C(=O)[O-])CCCC3)C(C)=C[NH+]=C12	REAL300013324407	1	45	0.0	-50.42	342.08	8.58	-41.84
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)CCCC1	REAL300013324417	0	49	0.0	-55.69	386.03	11.27	-44.42
O=C([O-])C1(CNC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)CCCC1	REAL300013324422	1	45	0.0	-39.06	363.82	11.31	-27.75
CCCCNC1=CC(NCC2(C(=O)[O-])CCCC2)=NC(N)=[NH+]1	REAL300013324429	0	47	0.0	-49.57	362.10	8.28	-41.29
CCCCNC1=CC(NCC2(C(=O)[O-])CCCC2)=[NH+]C(N)=N1	REAL300013324429	1	47	0.0	-40.21	360.01	8.24	-31.97
CC(C)NC1=NC(NCCO)=[NH+]C(NCC2(C(=O)[O-])CCCC2)=N1	REAL300013324440	0	50	0.0	-42.72	389.63	9.06	-33.66
CC(C)NC1=NC(NCCO)=NC(NCC2(C(=O)[O-])CCCC2)=[NH+]1	REAL300013324440	1	50	0.0	-42.57	388.97	9.03	-33.54
CC(C)NC1=[NH+]C(NCCO)=NC(NCC2(C(=O)[O-])CCCC2)=N1	REAL300013324440	1	50	0.0	-48.99	389.02	9.04	-39.95
CCNC1=[NH+]C(NCC2(C(=O)[O-])CCCC2)=NC(NC(C)(C)C)=N1	REAL300013324453	0	52	0.0	-41.60	390.82	13.29	-28.31
CCNC1=NC(NCC2(C(=O)[O-])CCCC2)=NC(NC(C)(C)C)=[NH+]1	REAL300013324453	1	52	0.0	-45.29	388.63	13.00	-32.29
CCNC1=NC(NCC2(C(=O)[O-])CCCC2)=[NH+]C(NC(C)(C)C)=N1	REAL300013324453	1	52	0.0	-39.29	388.63	12.97	-26.32
CN(C1=CC=CC=C1)C1=CC(NCC2(C(=O)[O-])CCCC2)=[NH+]C=N1	REAL300013324468	1	46	0.0	-42.60	362.18	11.86	-30.74
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)CCCC1	REAL300013324491	1	38	0.0	-54.14	318.15	8.94	-45.20
CC(O)C1CCN(C2=CC(NCC3(C(=O)[O-])CCCC3)=[NH+]C=N2)C1	REAL300013324492	0	50	0.0	-42.86	372.72	6.62	-36.24
CC(O)C1CCN(C2=CC(NCC3(C(=O)[O-])CCCC3)=NC=[NH+]2)C1	REAL300013324492	1	50	0.0	-53.04	373.38	6.22	-46.82
O=C([O-])C1(CNC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CCCC1	REAL300013324494	1	41	0.0	-48.56	319.74	10.25	-38.31
CCCC1=CC2=C(NCC3(C(=O)[O-])CCCC3)C=C[NH+]=C2C=C1	REAL300013324497	0	47	0.0	-51.04	360.01	10.57	-40.47
CC(C)OC1=CC2=C(NCC3(C(=O)[O-])CCCC3)C=C[NH+]=C2C=C1	REAL300013324499	0	48	0.0	-55.91	364.79	9.23	-46.68
CC1=CC(NCC2(C(=O)[O-])CCCC2)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013324593	1	43	0.0	-50.20	341.01	8.80	-41.40
CCC1=CC(NCC2(C(=O)[O-])CCCC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013324594	1	49	0.0	-55.64	395.64	12.00	-43.64
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(Br)C=C23)CCCC1	REAL300013324615	1	38	0.0	-53.87	316.92	8.98	-44.89
O=C([O-])C1(CNC2=CC=[NH+]C3=C(Br)C=CC=C23)CCCC1	REAL300013324622	1	38	0.0	-44.60	314.28	9.07	-35.53
CCOC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCCC3)=C2C=C1OCC	REAL300013324632	0	52	0.0	-52.94	397.76	9.46	-43.48
CCC1=CC(NCC2(C(=O)[O-])CCCC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013324634	1	46	0.0	-50.98	362.63	9.55	-41.43
COC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCCC3)=C2C=C1Br	REAL300013324671	0	42	0.0	-54.71	345.40	8.36	-46.35
CC1(C)CCCN(C2=CC=[NH+]C(NCC3(C(=O)[O-])CCCC3)=N2)C1	REAL300013324679	0	52	0.0	-52.32	379.15	10.98	-41.34
CC1=CC2=C(NCC3(C(=O)[O-])CCCC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013324684	0	51	0.0	-46.65	379.61	11.26	-35.39
CC1=CC(C(F)(F)F)=CC(NCC2(C(=O)[O-])CCCC2)=[NH+]1	REAL300013324687	0	38	0.0	-42.33	312.71	8.62	-33.71
O=C([O-])C1(CNC2=CC(NC3=CC=CC=C3)=NC=[NH+]2)CCCC1	REAL300013324689	1	43	0.0	-43.83	337.55	10.01	-33.82
O=C([O-])C1(CNC2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CCCC1	REAL300013324689	1	43	0.0	-48.49	335.91	10.59	-37.90
COC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCCC3)=C2C=C1OC	REAL300013324692	0	46	0.0	-53.18	354.05	7.62	-45.56
O=C([O-])C1(CNC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CCCC1	REAL300013324720	0	47	0.0	-51.41	363.38	11.24	-40.17
CC1=CC=C2C(NCC3(C(=O)[O-])CCCC3)=CC(C)=[NH+]C2=C1Cl	REAL300013324746	0	44	0.0	-41.94	347.88	10.08	-31.86
CC1=NC(NCC2(C(=O)[O-])CCCC2)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013324748	0	46	0.0	-46.81	359.55	10.38	-36.43
CC1=[NH+]C(NCC2(C(=O)[O-])CCCC2)=CC(NC2=CC=CC=C2)=N1	REAL300013324748	1	46	0.0	-41.31	361.20	10.76	-30.55
CC1=[NH+]C=CC(NCC2(C(=O)[O-])CCCC2)=C1Br	REAL300013324751	0	35	0.0	-53.71	289.61	7.34	-46.37
CN(C1=CC=[NH+]C(NCC2(C(=O)[O-])CCCC2)=N1)C1CCCCC1	REAL300013324753	0	52	0.0	-50.64	378.89	12.53	-38.11
CC1=CC(N(C)C(C)C)=NC(NCC2(C(=O)[O-])CCCC2)=[NH+]1	REAL300013324754	0	48	0.0	-45.36	360.91	11.21	-34.15
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC2(C(=O)[O-])CCCC2)=[NH+]1	REAL300013324757	0	49	0.0	-49.86	382.37	12.40	-37.46
CC1=CC(N2C=CC=N2)=NC(NCC2(C(=O)[O-])CCCC2)=[NH+]1	REAL300013324758	1	41	0.0	-47.02	329.79	10.44	-36.58
CC1=CC(NCC2(C(=O)[O-])CCCC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013324761	0	48	0.0	-48.97	361.05	11.31	-37.66
CN(C1=[NH+]C=CC(NCC2(C(=O)[O-])CCCC2)=N1)C1CCCCC1	REAL300013324764	0	52	0.0	-52.29	379.02	12.68	-39.61
CC1=CC(NCC2(C(=O)[O-])CCCC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013324766	1	49	0.0	-51.36	382.90	13.27	-38.09
O=C([O-])C1(CNC2=C3C=CNC3=NC(C3CC3)=[NH+]2)CCCC1	REAL300013324808	0	42	0.0	-40.52	328.76	9.64	-30.88
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)CCCC1	REAL300013324809	0	42	0.0	-51.25	341.55	8.19	-43.06
CN(C)C1=CC(NCC2(C(=O)[O-])CCCC2)=[NH+]C(N(C)C)=N1	REAL300013324813	0	47	0.0	-38.65	355.07	10.75	-27.90
CN(C)C1=CC(NCC2(C(=O)[O-])CCCC2)=NC(N(C)C)=[NH+]1	REAL300013324813	1	47	0.0	-47.91	353.21	10.74	-37.17
CC1=C(Cl)C2=[NH+]C=CC(NCC3(C(=O)[O-])CCCC3)=C2C=C1	REAL300013324820	1	41	0.0	-44.68	328.68	9.52	-35.16
O=C([O-])C1=CC=CC(NCC2CC[NH+](CC3=CC=NC=C3)CC2)=N1	REAL300013324821	0	46	0.0	-83.60	361.81	8.79	-74.81
O=C([O-])C1=CC=CN=C1NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013324822	0	46	0.0	-69.53	357.42	9.26	-60.27
O=C([O-])C1=CN=C(NCC2CC[NH+](CC3=CC=NC=C3)CC2)C(Cl)=C1	REAL300013324823	0	46	0.0	-78.49	376.88	9.59	-68.90
O=C([O-])C1=CC=CC(NCC2CC[NH+](CC3=CC=NC=C3)CC2)=N1	REAL300013324824	0	46	0.0	-83.60	361.81	8.79	-74.81
O=C([O-])C1=CC=CC(NCC2CC[NH+](CC3=CC=NC=C3)CC2)=N1	REAL300013324825	0	46	0.0	-83.60	361.81	8.79	-74.81
O=C([O-])C1=CC2=C(NCC3CC[NH+](CC4=CC=NC=C4)CC3)N=CNC2=N1	REAL300013324826	0	49	0.0	-110.21	390.06	9.91	-100.30
CCC(CN(C)CCC[NH+](C)C)NC1=CC=CC(C(=O)[O-])=N1	REAL300013324839	0	50	0.0	-71.05	377.09	6.92	-64.13
CCC(C[N@H+](C)CCCN(C)C)NC1=CC=CC(C(=O)[O-])=N1	REAL300013324839	1	50	0.0	-76.99	370.22	6.46	-70.53
CCC(C[N@@H+](C)CCCN(C)C)NC1=CC=CC(C(=O)[O-])=N1	REAL300013324839	1	50	0.0	-74.91	375.22	6.83	-68.08
CCC(CN(C)CCC[NH+](C)C)NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013324840	0	50	0.0	-69.08	391.22	8.19	-60.89
CCC(C[N@H+](C)CCCN(C)C)NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013324840	1	50	0.0	-68.98	392.52	7.93	-61.05
CCC(C[N@@H+](C)CCCN(C)C)NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013324840	1	50	0.0	-69.67	389.21	8.14	-61.53
CCC(CN(C)CCC[NH+](C)C)NC1=CC=CC(C(=O)[O-])=N1	REAL300013324841	0	50	0.0	-71.05	377.09	6.92	-64.13
CCC(C[N@H+](C)CCCN(C)C)NC1=CC=CC(C(=O)[O-])=N1	REAL300013324841	1	50	0.0	-76.99	370.22	6.46	-70.53
CCC(C[N@@H+](C)CCCN(C)C)NC1=CC=CC(C(=O)[O-])=N1	REAL300013324841	1	50	0.0	-74.91	375.22	6.83	-68.08
CCC(CN(C)CCC[NH+](C)C)NC1=CC=CC(C(=O)[O-])=N1	REAL300013324842	0	50	0.0	-71.05	377.09	6.92	-64.13
CCC(C[N@H+](C)CCCN(C)C)NC1=CC=CC(C(=O)[O-])=N1	REAL300013324842	1	50	0.0	-76.99	370.22	6.46	-70.53
CCC(C[N@@H+](C)CCCN(C)C)NC1=CC=CC(C(=O)[O-])=N1	REAL300013324842	1	50	0.0	-74.91	375.22	6.83	-68.08
CCC(CN(C)CCC[NH+](C)C)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013324843	0	53	0.0	-98.80	409.86	8.35	-90.45
CCC(C[N@H+](C)CCCN(C)C)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013324843	1	53	0.0	-102.20	405.20	8.31	-93.89
CCC(C[N@@H+](C)CCCN(C)C)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013324843	1	53	0.0	-101.53	402.48	8.42	-93.11
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CO)(C2=CC=CC(F)=C2)C1	REAL300013324852	0	40	0.0	-53.66	318.84	6.99	-46.67
O=C([O-])C1=CC=CC(NCC2CC[NH+](C3CCOCC3)CC2)=N1	REAL300013324860	0	48	0.0	-78.52	353.41	7.36	-71.16
O=C([O-])C1=CC=CN=C1NCC1CC[NH+](C2CCOCC2)CC1	REAL300013324861	0	48	0.0	-60.66	353.47	8.14	-52.52
O=C([O-])C1=CN=C(NCC2CC[NH+](C3CCOCC3)CC2)C(Cl)=C1	REAL300013324862	0	48	0.0	-71.12	368.91	8.22	-62.90
O=C([O-])C1=CC=CC(NCC2CC[NH+](C3CCOCC3)CC2)=N1	REAL300013324863	0	48	0.0	-78.52	353.41	7.36	-71.16
O=C([O-])C1=CC=CC(NCC2CC[NH+](C3CCOCC3)CC2)=N1	REAL300013324864	0	48	0.0	-78.52	353.41	7.36	-71.16
O=C([O-])C1=CC2=C(NCC3CC[NH+](C4CCOCC4)CC3)N=CNC2=N1	REAL300013324865	0	51	0.0	-101.82	386.11	8.79	-93.03
O=C([O-])C1=CC=C[NH+]=C1N1CC2=CC=C(NC(=O)C(F)(F)F)C=C2C1	REAL300013324925	0	37	0.0	-48.13	323.21	7.34	-40.79
C[C@]12CCN(C3=[NH+]C=CC=C3C(=O)[O-])C[C@H]1C2(Br)Br	REAL300013324931	0	33	0.0	-42.04	288.97	8.99	-33.05
O=C([O-])C1=CC=C[NH+]=C1N1C[C@@H]2C(=O)N(CC3=CC=CC=C3)C(=O)[C@@H]2C1	REAL300013324935	0	43	0.0	-47.95	355.39	9.23	-38.72
O=C([O-])C1=CC=CC(N2C[C@H]3OCC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=N1	REAL300013324940	1	46	0.0	-58.89	351.71	8.48	-50.41
O=C([O-])C1=CC=CC(N2C[C@H]3OCC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=N1	REAL300013324940	1	46	0.0	-67.83	353.19	8.20	-59.63
O=C([O-])C1=CC=CC(N2C[C@H]3OCC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=N1	REAL300013324943	1	46	0.0	-58.89	351.71	8.48	-50.41
O=C([O-])C1=CC=CC(N2C[C@H]3OCC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=N1	REAL300013324943	1	46	0.0	-67.83	353.19	8.20	-59.63
O=C([O-])C1=CC=CC(N2C[C@H]3OCC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=N1	REAL300013324944	1	46	0.0	-58.89	351.71	8.48	-50.41
O=C([O-])C1=CC=CC(N2C[C@H]3OCC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=N1	REAL300013324944	1	46	0.0	-67.83	353.19	8.20	-59.63
O=C([O-])C1=CC2=C(N3C[C@H]4OCC[N@H+](CC5=CC=CC=C5)[C@H]4C3)N=CNC2=N1	REAL300013324945	1	49	0.0	-108.87	381.38	10.12	-98.75
O=C([O-])C1=CC2=C(N3C[C@H]4OCC[N@@H+](CC5=CC=CC=C5)[C@H]4C3)N=CNC2=N1	REAL300013324945	1	49	0.0	-107.98	379.10	9.99	-97.99
CS(=O)(=O)[C@@H]1CN(C2=[NH+]C=CC=C2C(=O)[O-])C[C@H]1C(F)(F)F	REAL300013324947	1	35	0.0	-63.35	307.22	4.39	-58.96
N#CC1=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=CS1	REAL300013324953	0	36	0.0	-56.71	305.18	7.01	-49.70
O=C([O-])C1=CN=C(NCC2=CC=C[NH+]=C2N2CCCC2)C(Cl)=C1	REAL300013324958	1	40	0.0	-64.90	329.42	8.43	-56.47
O=C([O-])C1=CC2=C(NCC3=CC=C[NH+]=C3N3CCCC3)N=CNC2=N1	REAL300013324959	1	43	0.0	-94.17	342.57	8.76	-85.41
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCCC(CCC(=O)[O-])C2)=C1	REAL300013324994	0	44	0.0	-60.95	345.44	9.74	-51.21
O=C([O-])CCC1CCCN(C2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013325001	0	47	0.0	-59.39	358.92	9.56	-49.83
O=C([O-])CCC1CCCN(C2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013325001	1	47	0.0	-63.95	363.66	9.35	-54.60
O=C([O-])CCC1CCCN(C2=CC(NCC3CC3)=[NH+]C=N2)C1	REAL300013325009	0	46	0.0	-63.23	355.54	8.93	-54.30
O=C([O-])CCC1CCCN(C2=CC(NCC3CC3)=NC=[NH+]2)C1	REAL300013325009	1	46	0.0	-55.67	351.74	9.27	-46.40
O=C([O-])CCC1CCCN(C2=CC(N3CCCC3)=[NH+]C=N2)C1	REAL300013325020	0	46	0.0	-61.14	345.85	8.25	-52.89
O=C([O-])CCC1CCCN(C2=CC(N3CCCC3)=NC=[NH+]2)C1	REAL300013325020	1	46	0.0	-57.12	346.58	8.59	-48.53
O=C([O-])CCC1CCCN(C2=CC(N3CCCCC3)=[NH+]C=N2)C1	REAL300013325021	0	49	0.0	-62.34	360.93	9.18	-53.16
O=C([O-])CCC1CCCN(C2=CC(N3CCCCC3)=NC=[NH+]2)C1	REAL300013325021	1	49	0.0	-58.08	363.42	9.34	-48.74
O=C([O-])CCC1CCCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013325022	0	53	0.0	-58.86	391.20	6.96	-51.90
O=C([O-])CCC1CCCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013325022	1	53	0.0	-64.78	391.18	6.96	-57.82
CCCC1=[NH+]C2=CC=CC=C2C(N2CCCC(CCC(=O)[O-])C2)=C1	REAL300013325023	0	50	0.0	-55.51	381.97	11.19	-44.32
COC1=CC2=NC(N3CCCC(CCC(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013325054	0	50	0.0	-62.48	383.90	7.20	-55.28
O=C([O-])CCC1CCCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C1	REAL300013325067	0	44	0.0	-64.76	356.65	10.09	-54.67
O=C([O-])CCC1CCCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)C1	REAL300013325078	1	41	0.0	-61.94	327.60	9.11	-52.83
O=C([O-])CCC1CCCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013325081	1	38	0.0	-64.35	311.58	8.08	-56.27
CC(C)(C)C1=CC(N2CCCC(CCC(=O)[O-])C2)=NC(C(C)(C)C)=[NH+]1	REAL300013325082	1	58	0.0	-55.53	422.83	11.61	-43.92
O=C([O-])CCC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013325090	0	47	0.0	-58.31	350.68	7.22	-51.09
O=C([O-])CCC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013325090	1	47	0.0	-64.28	352.02	6.73	-57.55
CC1=CC(N2CCCC(CCC(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013325097	1	49	0.0	-71.95	392.78	11.77	-60.18
CC1=CC2=[NH+]C(N3CCCC(CCC(=O)[O-])C3)=CC(C)=C2C=C1	REAL300013325110	1	47	0.0	-52.02	357.99	10.60	-41.42
O=C([O-])CCC1CCCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)C1	REAL300013325128	1	41	0.0	-62.09	334.45	9.60	-52.49
O=C([O-])CCC1CCCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1	REAL300013325141	1	41	0.0	-62.33	339.01	9.71	-52.62
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCCC(CCC(=O)[O-])C2)=C1C	REAL300013325171	0	47	0.0	-61.00	366.97	10.61	-50.39
CC(O)CNC1=CC(N2CCCC(CCC(=O)[O-])C2)=NC=[NH+]1	REAL300013325192	0	46	0.0	-63.54	356.14	4.87	-58.67
CC(O)CNC1=CC(N2CCCC(CCC(=O)[O-])C2)=[NH+]C=N1	REAL300013325192	1	46	0.0	-57.60	352.65	5.14	-52.46
NC1=[NH+]C(N2CCCC(CCC(=O)[O-])C2)=CC(N2C=CC=N2)=N1	REAL300013325200	0	43	0.0	-57.61	343.34	8.55	-49.06
O=C([O-])CCC1CCCN(C2=[NH+]C=CC(N3CCOCC3)=N2)C1	REAL300013325204	0	47	0.0	-66.00	352.98	7.76	-58.24
COC1=CC=CC2=C(N3CCCC(CCC(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013325209	1	48	0.0	-54.30	360.59	8.61	-45.69
CCOC(=O)C1=C(N2CCCC(CCC(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013325210	1	56	0.0	-62.59	418.55	12.23	-50.36
CCC1=[NH+]C2=CC=CC=C2C(N2CCCC(CCC(=O)[O-])C2)=C1	REAL300013325221	0	47	0.0	-55.45	360.48	10.41	-45.04
O=C([O-])CCC1CCCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013325225	1	38	0.0	-64.35	311.58	8.08	-56.27
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013325235	1	50	0.0	-52.88	376.74	12.81	-40.07
CC(C)C1=NC(N(C)C)=NC(N2CCCC(CCC(=O)[O-])C2)=[NH+]1	REAL300013325235	1	50	0.0	-53.13	378.15	12.82	-40.31
O=C([O-])CCC1CCCN(C2=CC=[NH+]C(N3CCCCC3)=N2)C1	REAL300013325241	0	49	0.0	-63.77	361.85	10.22	-53.55
CCC1=C(N2CCCC(CCC(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013325254	0	50	0.0	-56.88	366.09	10.64	-46.24
O=C([O-])CCC1CCCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013325261	0	53	0.0	-59.37	389.43	6.13	-53.24
O=C([O-])CCC1CCCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013325261	1	53	0.0	-62.97	393.75	5.96	-57.01
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCCC(CCC(=O)[O-])C2)=C1	REAL300013325265	0	46	0.0	-69.72	367.08	10.34	-59.38
CC1=[NH+]C2=CC=CC=C2C(N2CCCC(CCC(=O)[O-])C2)=C1C	REAL300013325271	0	47	0.0	-56.95	345.68	9.93	-47.02
CC1=C2[NH+]=CC(C)=C(N3CCCC(CCC(=O)[O-])C3)C2=CC=C1	REAL300013325278	0	47	0.0	-59.51	347.03	10.18	-49.33
O=C([O-])CCC1CCCN(C2=CC=[NH+]C=C2Br)C1	REAL300013325280	1	35	0.0	-63.87	286.14	7.12	-56.75
CN1CCN(C2=CC(N3CCCC(CCC(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013325281	0	50	0.0	-67.30	380.04	7.33	-59.97
CN1CCN(C2=CC(N3CCCC(CCC(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013325281	1	50	0.0	-63.50	372.98	6.53	-56.97
CC(C)C1OCCCC1NC1=CC(N2CCCC(CCC(=O)[O-])C2)=NC=[NH+]1	REAL300013325293	0	59	0.0	-64.87	432.71	9.91	-54.96
CC(C)C1OCCCC1NC1=CC(N2CCCC(CCC(=O)[O-])C2)=[NH+]C=N1	REAL300013325293	1	59	0.0	-56.14	427.79	10.42	-45.72
CCOC(=O)C1=C[NH+]=CC=C1N1CCCC(CCC(=O)[O-])C1	REAL300013325295	1	44	0.0	-72.93	347.11	9.18	-63.75
O=C([O-])CCC1CCCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C1	REAL300013325316	0	52	0.0	-63.51	400.53	11.49	-52.02
CCCCNC1=CC(N2CCCC(CCC(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013325331	0	50	0.0	-59.40	380.66	8.80	-50.60
CCCCNC1=CC(N2CCCC(CCC(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013325331	1	50	0.0	-53.55	382.11	8.30	-45.25
O=C([O-])CCC1CCCN(C2=CC=[NH+]C=C2Br)C1	REAL300013325339	1	35	0.0	-63.87	286.14	7.12	-56.75
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013325344	0	53	0.0	-55.23	406.98	9.12	-46.11
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013325344	1	53	0.0	-53.16	409.76	8.42	-44.74
CC(C)NC1=NC(NCCO)=NC(N2CCCC(CCC(=O)[O-])C2)=[NH+]1	REAL300013325344	1	53	0.0	-54.85	407.52	9.17	-45.68
O=C([O-])CCC1CCCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013325354	1	38	0.0	-64.35	311.58	8.08	-56.27
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013325359	0	55	0.0	-52.07	406.65	13.06	-39.01
CCNC1=NC(NC(C)(C)C)=NC(N2CCCC(CCC(=O)[O-])C2)=[NH+]1	REAL300013325359	1	55	0.0	-54.01	409.33	13.43	-40.58
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013325359	1	55	0.0	-49.73	408.20	12.33	-37.40
CC(O)C1CCN(C2=CC(N3CCCC(CCC(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013325407	0	53	0.0	-58.30	393.07	6.93	-51.37
CC(O)C1CCN(C2=CC(N3CCCC(CCC(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013325407	1	53	0.0	-61.11	394.10	6.16	-54.95
O=C([O-])CCC1CCCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C1	REAL300013325409	1	44	0.0	-55.86	337.01	10.14	-45.72
CCCC1=CC2=C(N3CCCC(CCC(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013325413	0	50	0.0	-58.72	375.23	10.81	-47.91
CCC1=CC2=C(N3CCCC(CCC(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013325414	0	47	0.0	-58.56	353.74	10.03	-48.53
CC(C)OC1=CC2=C(N3CCCC(CCC(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013325417	0	51	0.0	-61.62	380.05	9.46	-52.16
O=C([O-])CCC1CCCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013325541	1	41	0.0	-61.98	332.15	9.21	-52.77
CCOC1=CC2=[NH+]C=CC(N3CCCC(CCC(=O)[O-])C3)=C2C=C1OCC	REAL300013325560	0	55	0.0	-61.81	413.00	9.69	-52.12
CCC1=CC(N2CCCC(CCC(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013325562	1	49	0.0	-63.52	381.21	10.04	-53.48
O=C([O-])CCC1CCCN(C2=[NH+]C=CC(N3CCCC3)=N2)C1	REAL300013325574	0	46	0.0	-63.19	345.05	9.46	-53.73
O=C([O-])CCC1CCCN(C2=CC=[NH+]C3=CC(F)=CC=C32)C1	REAL300013325595	0	41	0.0	-62.36	324.15	9.17	-53.19
COC1=CC2=[NH+]C=CC(N3CCCC(CCC(=O)[O-])C3)=C2C=C1Br	REAL300013325609	0	45	0.0	-62.91	360.64	8.59	-54.32
CC1(C)CCCN(C2=CC=[NH+]C(N3CCCC(CCC(=O)[O-])C3)=N2)C1	REAL300013325620	0	55	0.0	-63.91	398.43	11.57	-52.34
CC1=CC2=C(N3CCCC(CCC(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013325625	0	54	0.0	-56.41	396.63	11.95	-44.46
CC1=CC(C(F)(F)F)=CC(N2CCCC(CCC(=O)[O-])C2)=[NH+]1	REAL300013325628	0	41	0.0	-55.70	328.88	8.97	-46.73
O=C([O-])CCC1CCCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C1	REAL300013325630	1	46	0.0	-60.31	357.91	10.56	-49.75
COC1=CC2=[NH+]C=CC(N3CCCC(CCC(=O)[O-])C3)=C2C=C1OC	REAL300013325634	0	49	0.0	-64.37	376.14	8.34	-56.03
O=C([O-])CCC1CCCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013325671	0	50	0.0	-64.81	385.50	10.53	-54.28
CC1=CC=C2C(N3CCCC(CCC(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013325701	0	47	0.0	-53.64	365.25	10.34	-43.30
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013325703	0	49	0.0	-57.17	378.14	10.95	-46.22
CC1=NC(NC2=CC=CC=C2)=CC(N2CCCC(CCC(=O)[O-])C2)=[NH+]1	REAL300013325703	1	49	0.0	-53.38	379.13	9.98	-43.40
CC1=[NH+]C=CC(N2CCCC(CCC(=O)[O-])C2)=C1Br	REAL300013325706	0	38	0.0	-61.28	304.34	7.61	-53.67
CN(C1=CC=[NH+]C(N2CCCC(CCC(=O)[O-])C2)=N1)C1CCCCC1	REAL300013325708	0	55	0.0	-61.11	400.14	12.67	-48.44
CC1=CC(N(C)C(C)C)=NC(N2CCCC(CCC(=O)[O-])C2)=[NH+]1	REAL300013325709	0	51	0.0	-55.35	381.50	10.54	-44.81
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCCC(CCC(=O)[O-])C2)=[NH+]1	REAL300013325713	0	52	0.0	-60.20	402.36	11.74	-48.46
CC1=CC(N2C=CC=N2)=NC(N2CCCC(CCC(=O)[O-])C2)=[NH+]1	REAL300013325714	1	44	0.0	-59.76	348.32	10.59	-49.17
CC1=CC(N2CCCC(CCC(=O)[O-])C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013325717	0	51	0.0	-58.33	379.60	11.83	-46.50
CN(C1=[NH+]C=CC(N2CCCC(CCC(=O)[O-])C2)=N1)C1CCCCC1	REAL300013325720	0	55	0.0	-62.56	401.05	12.65	-49.91
CC1=CC(N2CCCC(CCC(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013325722	1	52	0.0	-61.81	401.45	13.80	-48.01
O=C([O-])CCC1CCCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)C1	REAL300013325767	0	45	0.0	-52.44	349.13	9.65	-42.79
O=C([O-])CCC1CCCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013325768	0	45	0.0	-63.65	363.65	8.91	-54.74
CN(C)C1=CC(N2CCCC(CCC(=O)[O-])C2)=NC(N(C)C)=[NH+]1	REAL300013325772	1	50	0.0	-56.17	371.23	11.34	-44.83
CN(C)C1=CC(N2CCCC(CCC(=O)[O-])C2)=[NH+]C(N(C)C)=N1	REAL300013325772	1	50	0.0	-50.96	376.52	10.95	-40.01
CC1=C(Cl)C2=[NH+]C=CC(N3CCCC(CCC(=O)[O-])C3)=C2C=C1	REAL300013325780	1	44	0.0	-55.76	343.92	9.76	-46.00
CC1=[NH+]C2=CC=C(F)C=C2C(N2C3CCC2C(C(=O)[O-])C3)=C1	REAL300013325788	0	39	0.0	-31.58	287.23	7.10	-24.48
O=C([O-])C1CC2CCC1N2C1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013325794	0	42	0.0	-62.90	320.89	8.04	-54.86
O=C([O-])C1CC2CCC1N2C1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013325794	1	42	0.0	-52.33	318.22	7.74	-44.59
O=C([O-])C1CC2CCC1N2C1=CC(N2CCCCC2)=[NH+]C=N1	REAL300013325804	0	44	0.0	-59.41	317.08	8.39	-51.02
O=C([O-])C1CC2CCC1N2C1=CC(N2CCCCC2)=NC=[NH+]1	REAL300013325804	1	44	0.0	-55.40	320.76	8.40	-47.00
O=C([O-])C1CC2CCC1N2C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013325805	0	48	0.0	-58.24	348.96	5.35	-52.89
O=C([O-])C1CC2CCC1N2C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013325805	1	48	0.0	-53.81	351.05	5.45	-48.36
CCCC1=[NH+]C2=CC=CC=C2C(N2C3CCC2C(C(=O)[O-])C3)=C1	REAL300013325806	0	45	0.0	-47.63	329.64	8.89	-38.74
COC1=CC2=NC(N3C4CCC3C(C(=O)[O-])C4)=[NH+]C(N)=C2C=C1OC	REAL300013325830	0	45	0.0	-60.80	344.00	6.18	-54.62
O=C([O-])C1CC2CCC1N2C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013325837	1	39	0.0	-31.00	298.19	7.46	-23.54
O=C([O-])C1CC2CCC1N2C1=CC=[NH+]C2=CC=C(Cl)C=C21	REAL300013325843	1	36	0.0	-63.05	286.15	7.54	-55.51
CC(C)(C)C1=CC(N2C3CCC2C(C(=O)[O-])C3)=NC(C(C)(C)C)=[NH+]1	REAL300013325845	1	53	0.0	-53.98	384.48	10.26	-43.72
O=C([O-])C1CC2CCC1N2C1=CC(N2CCOCC2)=[NH+]C=N1	REAL300013325852	0	42	0.0	-58.29	307.60	5.91	-52.38
O=C([O-])C1CC2CCC1N2C1=CC(N2CCOCC2)=NC=[NH+]1	REAL300013325852	1	42	0.0	-51.27	309.98	5.41	-45.86
CC1=CC(N2C3CCC2C(C(=O)[O-])C3)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013325857	1	44	0.0	-67.95	354.37	10.41	-57.54
O=C([O-])C1CC2CCC1N2C1=CC=[NH+]C2=CC(Cl)=CC=C21	REAL300013325881	1	36	0.0	-64.29	286.22	7.54	-56.75
O=C([O-])C1CC2CCC1N2C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013325889	1	36	0.0	-64.50	290.78	7.64	-56.86
CC1=[NH+]C2=CC=C(Br)C=C2C(N2C3CCC2C(C(=O)[O-])C3)=C1C	REAL300013325915	0	42	0.0	-52.72	311.18	7.92	-44.80
NC1=[NH+]C(N2C3CCC2C(C(=O)[O-])C3)=CC(N2C=CC=N2)=N1	REAL300013325941	0	38	0.0	-49.53	296.86	7.35	-42.18
O=C([O-])C1CC2CCC1N2C1=[NH+]C=CC(N2CCOCC2)=N1	REAL300013325944	0	42	0.0	-60.06	308.64	5.34	-54.72
COC1=CC=CC2=C(N3C4CCC3C(C(=O)[O-])C4)C=C(C)[NH+]=C12	REAL300013325949	1	43	0.0	-28.75	308.87	6.40	-22.35
CCOC(=O)C1=C(N2C3CCC2C(C(=O)[O-])C3)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013325951	1	51	0.0	-49.17	363.32	8.91	-40.26
CC(C)C1=[NH+]C(N(C)C)=NC(N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013325963	1	45	0.0	-31.89	331.64	10.27	-21.62
O=C([O-])C1CC2CCC1N2C1=CC=[NH+]C(N2CCCCC2)=N1	REAL300013325969	0	44	0.0	-61.02	321.41	8.84	-52.18
CCC1=C(N2C3CCC2C(C(=O)[O-])C3)C2=CC=CC=C2[NH+]=C1C	REAL300013325978	0	45	0.0	-51.62	312.94	7.59	-44.03
O=C([O-])C1CC2CCC1N2C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013325983	0	48	0.0	-54.06	350.08	4.87	-49.19
O=C([O-])C1CC2CCC1N2C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013325983	1	48	0.0	-48.19	344.87	5.13	-43.06
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2C3CCC2C(C(=O)[O-])C3)=C1	REAL300013325988	0	41	0.0	-35.79	308.88	7.69	-28.10
CN1CCN(C2=CC(N3C4CCC3C(C(=O)[O-])C4)=NC=[NH+]2)CC1=O	REAL300013325998	0	45	0.0	-59.70	329.22	5.42	-54.28
CN1CCN(C2=CC(N3C4CCC3C(C(=O)[O-])C4)=[NH+]C=N2)CC1=O	REAL300013325998	1	45	0.0	-30.20	329.28	5.17	-25.03
CC(C)C1OCCCC1NC1=CC(N2C3CCC2C(C(=O)[O-])C3)=NC=[NH+]1	REAL300013326007	0	54	0.0	-56.74	387.07	9.02	-47.72
CC(C)C1OCCCC1NC1=CC(N2C3CCC2C(C(=O)[O-])C3)=[NH+]C=N1	REAL300013326007	1	54	0.0	-47.86	383.01	8.57	-39.29
O=C([O-])C1CC2CCC1N2C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013326028	0	47	0.0	-64.96	359.89	9.95	-55.01
O=C([O-])C1CC2CCC1N2C1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013326033	1	43	0.0	-43.04	333.69	9.74	-33.30
CCCCNC1=CC(N2C3CCC2C(C(=O)[O-])C3)=NC(N)=[NH+]1	REAL300013326040	0	45	0.0	-56.94	337.23	7.16	-49.78
CCCCNC1=CC(N2C3CCC2C(C(=O)[O-])C3)=[NH+]C(N)=N1	REAL300013326040	1	45	0.0	-43.03	334.43	6.81	-36.22
CC(C)NC1=[NH+]C(NCCO)=NC(N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013326050	0	48	0.0	-52.06	360.95	8.18	-43.88
CC(C)NC1=NC(NCCO)=[NH+]C(N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013326050	1	48	0.0	-25.47	362.68	6.77	-18.70
CC(C)NC1=NC(NCCO)=NC(N2C3CCC2C(C(=O)[O-])C3)=[NH+]1	REAL300013326050	1	48	0.0	-25.82	362.04	6.77	-19.05
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013326062	0	50	0.0	-48.98	360.61	12.13	-36.85
CCNC1=NC(NC(C)(C)C)=NC(N2C3CCC2C(C(=O)[O-])C3)=[NH+]1	REAL300013326062	1	50	0.0	-24.80	363.80	11.02	-13.78
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013326062	1	50	0.0	-25.02	357.61	10.57	-14.45
CC(O)C1CCN(C2=CC(N3C4CCC3C(C(=O)[O-])C4)=NC=[NH+]2)C1	REAL300013326098	0	48	0.0	-30.55	345.33	5.01	-25.54
CC(O)C1CCN(C2=CC(N3C4CCC3C(C(=O)[O-])C4)=[NH+]C=N2)C1	REAL300013326098	1	48	0.0	-29.21	337.63	4.44	-24.77
O=C([O-])C1CC2CCC1N2C1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2	REAL300013326100	1	39	0.0	-33.01	287.20	8.23	-24.78
CCCC1=CC2=C(N3C4CCC3C(C(=O)[O-])C4)C=C[NH+]=C2C=C1	REAL300013326103	0	45	0.0	-59.68	333.79	9.24	-50.44
CC(C)OC1=CC2=C(N3C4CCC3C(C(=O)[O-])C4)C=C[NH+]=C2C=C1	REAL300013326105	0	46	0.0	-64.31	339.11	7.91	-56.40
O=C([O-])C1CC2CCC1N2C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013326219	1	36	0.0	-62.92	290.70	7.65	-55.27
CCOC1=CC2=[NH+]C=CC(N3C4CCC3C(C(=O)[O-])C4)=C2C=C1OCC	REAL300013326235	0	50	0.0	-61.50	371.55	8.12	-53.38
CCC1=CC(N2C3CCC2C(C(=O)[O-])C3)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013326237	1	44	0.0	-60.07	342.80	8.70	-51.37
COC1=CC2=[NH+]C=CC(N3C4CCC3C(C(=O)[O-])C4)=C2C=C1Br	REAL300013326271	0	40	0.0	-63.22	319.19	7.00	-56.22
CC1(C)CCCN(C2=CC=[NH+]C(N3C4CCC3C(C(=O)[O-])C4)=N2)C1	REAL300013326279	0	50	0.0	-24.33	356.35	8.90	-15.43
CC1=CC2=C(N3C4CCC3C(C(=O)[O-])C4)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013326284	0	49	0.0	-47.59	340.83	8.76	-38.83
CC1=CC(C(F)(F)F)=CC(N2C3CCC2C(C(=O)[O-])C3)=[NH+]1	REAL300013326287	0	36	0.0	-45.45	284.91	7.11	-38.34
COC1=CC2=[NH+]C=CC(N3C4CCC3C(C(=O)[O-])C4)=C2C=C1OC	REAL300013326292	0	44	0.0	-61.68	327.84	6.28	-55.40
O=C([O-])C1CC2CCC1N2C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013326320	0	45	0.0	-58.98	343.39	9.27	-49.71
CC1=CC=C2C(N3C4CCC3C(C(=O)[O-])C4)=CC(C)=[NH+]C2=C1Cl	REAL300013326344	0	42	0.0	-44.13	319.60	8.51	-35.62
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013326346	0	44	0.0	-55.65	339.70	9.54	-46.11
CC1=NC(NC2=CC=CC=C2)=CC(N2C3CCC2C(C(=O)[O-])C3)=[NH+]1	REAL300013326346	1	44	0.0	-43.56	332.97	9.28	-34.28
CC1=[NH+]C=CC(N2C3CCC2C(C(=O)[O-])C3)=C1Br	REAL300013326349	0	33	0.0	-62.47	262.63	6.04	-56.43
CN(C1=CC=[NH+]C(N2C3CCC2C(C(=O)[O-])C3)=N1)C1CCCCC1	REAL300013326351	0	50	0.0	-25.10	353.34	10.25	-14.85
CC1=CC(N(C)C(C)C)=NC(N2C3CCC2C(C(=O)[O-])C3)=[NH+]1	REAL300013326352	0	46	0.0	-50.92	338.51	9.46	-41.46
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2C3CCC2C(C(=O)[O-])C3)=[NH+]1	REAL300013326355	0	47	0.0	-55.38	361.69	10.73	-44.65
CC1=CC(N2C3CCC2C(C(=O)[O-])C3)=NC(N(C)C(C)C)=[NH+]1	REAL300013326358	0	46	0.0	-57.52	341.27	10.48	-47.04
CN(C1=[NH+]C=CC(N2C3CCC2C(C(=O)[O-])C3)=N1)C1CCCCC1	REAL300013326360	0	50	0.0	-61.14	357.84	11.52	-49.62
O=C([O-])C1CC2CCC1N2C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013326402	0	40	0.0	-66.49	315.40	6.84	-59.65
CN(C)C1=CC(N2C3CCC2C(C(=O)[O-])C3)=NC(N(C)C)=[NH+]1	REAL300013326406	1	45	0.0	-56.12	333.83	9.81	-46.31
CN(C)C1=CC(N2C3CCC2C(C(=O)[O-])C3)=[NH+]C(N(C)C)=N1	REAL300013326406	1	45	0.0	-41.08	327.81	9.41	-31.67
CC1=C(Cl)C2=[NH+]C=CC(N3C4CCC3C(C(=O)[O-])C4)=C2C=C1	REAL300013326413	1	39	0.0	-57.10	302.56	8.19	-48.91
O=C([O-])C1CN(C2=CC=[NH+]C3=CC=CC=C32)CC2=CC=CC=C21	REAL300013326424	0	39	0.0	-53.76	298.06	8.51	-45.25
CC1=[NH+]C2=CC=C(F)C=C2C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300013326432	0	42	0.0	-57.20	329.13	9.26	-47.94
O=C([O-])C1CN(C2=CC(N3CCSCC3)=[NH+]C=N2)CC2=CC=CC=C21	REAL300013326441	0	45	0.0	-53.87	350.88	9.30	-44.57
O=C([O-])C1CN(C2=CC(N3CCSCC3)=NC=[NH+]2)CC2=CC=CC=C21	REAL300013326441	1	45	0.0	-54.85	350.87	9.52	-45.33
O=C([O-])C1CN(C2=CC(NCC3CC3)=[NH+]C=N2)CC2=CC=CC=C21	REAL300013326451	0	44	0.0	-62.68	349.11	9.44	-53.24
O=C([O-])C1CN(C2=CC(NCC3CC3)=NC=[NH+]2)CC2=CC=CC=C21	REAL300013326451	1	44	0.0	-46.17	337.68	9.18	-36.99
O=C([O-])C1CN(C2=CC(N3CCCC3)=[NH+]C=N2)CC2=CC=CC=C21	REAL300013326464	0	44	0.0	-63.28	341.40	9.39	-53.89
O=C([O-])C1CN(C2=CC(N3CCCC3)=NC=[NH+]2)CC2=CC=CC=C21	REAL300013326464	1	44	0.0	-49.36	336.37	9.46	-39.90
O=C([O-])C1CN(C2=CC(N3CCCCC3)=[NH+]C=N2)CC2=CC=CC=C21	REAL300013326465	0	47	0.0	-51.13	350.40	9.81	-41.32
O=C([O-])C1CN(C2=CC(N3CCCCC3)=NC=[NH+]2)CC2=CC=CC=C21	REAL300013326465	1	47	0.0	-50.50	353.23	10.20	-40.30
O=C([O-])C1CN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CC2=CC=CC=C21	REAL300013326466	0	51	0.0	-53.63	381.74	6.94	-46.69
O=C([O-])C1CN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CC2=CC=CC=C21	REAL300013326466	1	51	0.0	-52.36	383.24	6.93	-45.43
CCCC1=[NH+]C2=CC=CC=C2C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300013326467	0	48	0.0	-51.16	365.65	10.72	-40.44
COC1=CC2=NC(N3CC4=CC=CC=C4C(C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013326499	0	48	0.0	-51.66	372.69	7.30	-44.36
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)CC2=CC=CC=C21	REAL300013326514	1	42	0.0	-58.26	339.95	9.63	-48.63
O=C([O-])C1CN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)CC2=CC=CC=C21	REAL300013326534	1	39	0.0	-60.00	318.13	9.13	-50.87
O=C([O-])C1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC2=CC=CC=C21	REAL300013326537	1	36	0.0	-57.27	299.65	8.40	-48.87
CC(C)(C)C1=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=NC(C(C)(C)C)=[NH+]1	REAL300013326539	1	56	0.0	-57.10	416.35	12.17	-44.93
O=C([O-])C1CN(C2=CC(N3CCOCC3)=[NH+]C=N2)CC2=CC=CC=C21	REAL300013326548	0	45	0.0	-52.54	341.36	7.24	-45.30
O=C([O-])C1CN(C2=CC(N3CCOCC3)=NC=[NH+]2)CC2=CC=CC=C21	REAL300013326548	1	45	0.0	-52.74	344.27	7.73	-45.01
CC1=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013326558	1	47	0.0	-57.97	382.69	11.72	-46.25
CC1=CC2=[NH+]C(N3CC4=CC=CC=C4C(C(=O)[O-])C3)=CC(C)=C2C=C1	REAL300013326580	1	45	0.0	-43.60	342.11	10.58	-33.02
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC2=CC=CC=C21	REAL300013326603	1	39	0.0	-56.31	318.09	9.12	-47.19
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(Br)=CC=C32)CC2=CC=CC=C21	REAL300013326616	1	39	0.0	-56.46	322.67	9.24	-47.22
O=C([O-])C1CN(C2=C3SC=CC3=[NH+]C=C2)CC2=CC=CC=C21	REAL300013326654	1	36	0.0	-54.47	292.25	7.50	-46.97
CC1=[NH+]C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C2C=CNC2=N1	REAL300013326661	0	39	0.0	-46.74	302.99	7.98	-38.76
CC1=C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1	REAL300013326663	0	42	0.0	-62.09	321.41	9.95	-52.14
CC(O)CNC1=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=NC=[NH+]1	REAL300013326672	0	44	0.0	-57.12	348.90	5.62	-51.50
CC(O)CNC1=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=[NH+]C=N1	REAL300013326672	1	44	0.0	-48.10	339.61	5.10	-43.00
NC1=[NH+]C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=CC(N2C=CC=N2)=N1	REAL300013326683	0	41	0.0	-54.55	331.40	8.87	-45.68
O=C([O-])C1CN(C2=[NH+]C=CC(N3CCOCC3)=N2)CC2=CC=CC=C21	REAL300013326690	0	45	0.0	-52.45	345.68	7.28	-45.17
COC1=CC=CC2=C(N3CC4=CC=CC=C4C(C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013326698	1	46	0.0	-50.20	351.05	8.63	-41.57
CCC1=[NH+]C2=CC=CC=C2C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300013326707	0	45	0.0	-48.43	341.48	9.90	-38.53
O=C([O-])C1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC2=CC=CC=C21	REAL300013326711	1	36	0.0	-57.27	299.65	8.40	-48.87
CC(C)C1=[NH+]C(N(C)C)=NC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013326721	1	48	0.0	-53.22	368.63	12.60	-40.62
O=C([O-])C1CN(C2=CC=[NH+]C(N3CCCCC3)=N2)CC2=CC=CC=C21	REAL300013326729	0	47	0.0	-67.00	355.47	10.77	-56.23
CCC1=C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013326740	0	48	0.0	-53.26	333.55	8.86	-44.40
CC1=CC2=CC=CC=C2C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=[NH+]1	REAL300013326742	0	42	0.0	-44.66	320.34	10.19	-34.47
CC1=[NH+]C=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1Cl	REAL300013326743	0	36	0.0	-63.51	300.98	8.37	-55.14
O=C([O-])C1CN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)CC2=CC=CC=C21	REAL300013326750	0	51	0.0	-48.79	378.11	5.98	-42.81
O=C([O-])C1CN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)CC2=CC=CC=C21	REAL300013326750	1	51	0.0	-61.20	385.95	7.03	-54.17
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300013326754	0	44	0.0	-64.78	350.81	9.87	-54.91
CC1=[NH+]C2=CC=CC=C2C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1C	REAL300013326761	0	45	0.0	-52.26	322.55	8.49	-43.77
CC1=C2[NH+]=CC(C)=C(N3CC4=CC=CC=C4C(C(=O)[O-])C3)C2=CC=C1	REAL300013326769	0	45	0.0	-53.09	322.64	8.54	-44.55
O=C([O-])C1CN(C2=CC=[NH+]C=C2Br)CC2=CC=CC=C21	REAL300013326770	1	33	0.0	-61.33	276.40	7.12	-54.21
CN1CCN(C2=CC(N3CC4=CC=CC=C4C(C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013326771	0	48	0.0	-57.63	369.85	8.20	-49.43
CN1CCN(C2=CC(N3CC4=CC=CC=C4C(C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013326771	1	48	0.0	-72.50	370.20	8.19	-64.31
CC(C)C1OCCCC1NC1=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=NC=[NH+]1	REAL300013326786	0	57	0.0	-51.79	420.86	10.57	-41.22
CC(C)C1OCCCC1NC1=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=[NH+]C=N1	REAL300013326786	1	57	0.0	-55.72	428.56	10.70	-45.02
CCOC(=O)C1=C[NH+]=CC=C1N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013326788	1	42	0.0	-67.69	329.84	8.42	-59.27
O=C([O-])C1CN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)CC2=CC=CC=C21	REAL300013326809	0	50	0.0	-59.33	387.24	11.42	-47.91
CCCCNC1=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013326826	0	48	0.0	-50.47	371.13	8.78	-41.69
CCCCNC1=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013326826	1	48	0.0	-45.51	366.97	8.49	-37.02
O=C([O-])C1CN(C2=CC=[NH+]C=C2Br)CC2=CC=CC=C21	REAL300013326835	1	33	0.0	-61.33	276.40	7.12	-54.21
CC(C)NC1=[NH+]C(NCCO)=NC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013326842	0	51	0.0	-57.72	402.46	8.86	-48.86
CC(C)NC1=NC(NCCO)=[NH+]C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013326842	1	51	0.0	-44.30	398.61	8.45	-35.85
CC(C)NC1=NC(NCCO)=NC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=[NH+]1	REAL300013326842	1	51	0.0	-53.09	401.07	9.70	-43.39
O=C([O-])C1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC2=CC=CC=C21	REAL300013326851	1	36	0.0	-57.27	299.65	8.40	-48.87
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013326857	0	53	0.0	-53.68	402.12	12.80	-40.88
CCNC1=NC(NC(C)(C)C)=NC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=[NH+]1	REAL300013326857	1	53	0.0	-41.53	399.79	12.68	-28.85
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013326857	1	53	0.0	-51.97	404.54	14.01	-37.96
CC(O)C1CCN(C2=CC(N3CC4=CC=CC=C4C(C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013326911	0	51	0.0	-54.04	382.46	6.74	-47.30
CC(O)C1CCN(C2=CC(N3CC4=CC=CC=C4C(C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013326911	1	51	0.0	-51.30	386.74	7.46	-43.84
O=C([O-])C1CN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CC2=CC=CC=C21	REAL300013326914	1	42	0.0	-55.65	342.86	10.90	-44.75
CCCC1=CC2=C(N3CC4=CC=CC=C4C(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013326918	0	48	0.0	-56.72	365.63	10.83	-45.89
CCC1=CC2=C(N3CC4=CC=CC=C4C(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013326919	0	45	0.0	-56.70	344.14	10.05	-46.65
CC(C)OC1=CC2=C(N3CC4=CC=CC=C4C(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013326923	0	49	0.0	-57.74	366.77	9.40	-48.34
O=C([O-])C1CN(C2=CC(NC3CC3)=[NH+]C=N2)CC2=CC=CC=C21	REAL300013326931	0	41	0.0	-53.25	322.39	8.69	-44.56
O=C([O-])C1CN(C2=CC(NC3CC3)=NC=[NH+]2)CC2=CC=CC=C21	REAL300013326931	1	41	0.0	-56.05	330.15	8.83	-47.22
CC1=[NH+]C2=CC=CC=C2C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300013326979	0	42	0.0	-49.90	320.05	9.16	-40.74
O=C([O-])C1CN(C2=CC=[NH+]C3=CC=C(Br)C=C32)CC2=CC=CC=C21	REAL300013327043	1	39	0.0	-59.97	322.69	9.24	-50.73
CCOC1=CC2=[NH+]C=CC(N3CC4=CC=CC=C4C(C(=O)[O-])C3)=C2C=C1OCC	REAL300013327062	0	53	0.0	-55.58	399.79	9.65	-45.93
CCC1=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013327064	1	47	0.0	-65.17	374.75	10.61	-54.56
O=C([O-])C1CN(C2=[NH+]C=CC(N3CCCC3)=N2)CC2=CC=CC=C21	REAL300013327074	0	44	0.0	-48.86	333.46	8.45	-40.41
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(F)=CC=C32)CC2=CC=CC=C21	REAL300013327093	0	39	0.0	-56.55	307.80	8.70	-47.85
CC1=CC2=C(N3CC4=CC=CC=C4C(C(=O)[O-])C3)[NH+]=CC=C2C=C1	REAL300013327112	1	42	0.0	-52.79	332.54	11.13	-41.66
CC1(C)CCCN(C2=CC=[NH+]C(N3CC4=CC=CC=C4C(C(=O)[O-])C3)=N2)C1	REAL300013327119	0	53	0.0	-58.95	393.34	11.28	-47.67
CC1=CC2=C(N3CC4=CC=CC=C4C(C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013327124	0	52	0.0	-55.75	389.15	12.43	-43.32
CC1=CC(C(F)(F)F)=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=[NH+]1	REAL300013327128	0	39	0.0	-49.98	317.73	8.86	-41.12
COC1=CC2=[NH+]C=CC(N3CC4=CC=CC=C4C(C(=O)[O-])C3)=C2C=C1OC	REAL300013327135	0	47	0.0	-59.94	359.78	7.87	-52.07
COC1=C(N)[NH+]=CN=C1N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013327151	0	38	0.0	-70.00	313.63	6.11	-63.89
COC1=C(N)N=C[NH+]=C1N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013327151	1	38	0.0	-44.75	297.32	6.13	-38.62
O=C([O-])C1CN(C2=C3SC=CC3=[NH+]C=C2)CC2=CC=CC=C21	REAL300013327162	1	36	0.0	-54.47	292.25	7.50	-46.97
O=C([O-])C1CN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CC2=CC=CC=C21	REAL300013327179	0	48	0.0	-71.51	380.95	11.96	-59.55
CC1=CC=C2C(N3CC4=CC=CC=C4C(C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013327216	0	45	0.0	-45.76	352.29	10.22	-35.54
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013327219	0	47	0.0	-51.02	366.97	10.36	-40.66
CC1=NC(NC2=CC=CC=C2)=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=[NH+]1	REAL300013327219	1	47	0.0	-52.10	374.62	11.75	-40.35
CC1=[NH+]C=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1Br	REAL300013327223	0	36	0.0	-63.25	304.84	8.52	-54.73
CN(C1=CC=[NH+]C(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013327225	0	53	0.0	-64.42	393.11	13.27	-51.15
CC1=CC(N(C)C(C)C)=NC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=[NH+]1	REAL300013327226	0	49	0.0	-57.29	372.97	11.89	-45.40
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=[NH+]1	REAL300013327230	0	50	0.0	-63.87	394.44	13.06	-50.81
CC1=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013327234	0	49	0.0	-48.82	368.95	11.76	-37.06
CN(C1=[NH+]C=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013327237	0	53	0.0	-68.11	393.25	13.71	-54.40
CC1=CC=CC2=CC=[NH+]C(N3CC4=CC=CC=C4C(C(=O)[O-])C3)=C12	REAL300013327266	1	42	0.0	-46.24	316.42	12.16	-34.08
O=C([O-])C1CN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)CC2=CC=CC=C21	REAL300013327293	0	43	0.0	-48.38	333.72	9.80	-38.58
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)CC2=CC=CC=C21	REAL300013327294	0	43	0.0	-57.73	347.31	8.43	-49.30
CN(C)C1=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=NC(N(C)C)=[NH+]1	REAL300013327301	1	48	0.0	-48.83	363.17	11.17	-37.66
CN(C)C1=CC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)=[NH+]C(N(C)C)=N1	REAL300013327301	1	48	0.0	-48.33	368.36	11.86	-36.47
CC1=C(Cl)C2=[NH+]C=CC(N3CC4=CC=CC=C4C(C(=O)[O-])C3)=C2C=C1	REAL300013327309	1	42	0.0	-51.54	334.45	9.78	-41.76
CC1=[NH+]C2=CC=C(F)C=C2C(N2CC(C(=O)[O-])CCC2C)=C1	REAL300013327312	0	41	0.0	-61.50	305.51	7.89	-53.61
CC1CCC(C(=O)[O-])CN1C1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013327316	0	44	0.0	-60.07	342.63	7.76	-52.31
CC1CCC(C(=O)[O-])CN1C1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013327316	1	44	0.0	-55.18	331.94	7.90	-47.28
CC1CCC(C(=O)[O-])CN1C1=CC(N2CCCCC2)=[NH+]C=N1	REAL300013327326	0	46	0.0	-58.28	342.20	8.17	-50.11
CC1CCC(C(=O)[O-])CN1C1=CC(N2CCCCC2)=NC=[NH+]1	REAL300013327326	1	46	0.0	-53.14	332.59	8.02	-45.12
CC1CCC(C(=O)[O-])CN1C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013327327	0	50	0.0	-63.33	365.10	5.84	-57.49
CC1CCC(C(=O)[O-])CN1C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013327327	1	50	0.0	-55.50	364.24	5.30	-50.20
COC1=CC2=NC(N3CC(C(=O)[O-])CCC3C)=[NH+]C(N)=C2C=C1OC	REAL300013327340	0	47	0.0	-61.13	355.89	6.36	-54.77
CC1CCC(C(=O)[O-])CN1C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013327344	1	41	0.0	-62.91	316.70	8.24	-54.67
CC1CCC(C(=O)[O-])CN1C1=CC=[NH+]C2=CC=C(Cl)C=C21	REAL300013327351	1	38	0.0	-55.82	299.48	7.91	-47.91
CC1CCC(C(=O)[O-])CN1C1=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N1	REAL300013327352	1	55	0.0	-46.11	390.76	10.75	-35.36
CC1CCC(C(=O)[O-])CN1C1=CC(N2CCOCC2)=[NH+]C=N1	REAL300013327356	0	44	0.0	-59.86	333.28	5.72	-54.14
CC1CCC(C(=O)[O-])CN1C1=CC(N2CCOCC2)=NC=[NH+]1	REAL300013327356	1	44	0.0	-54.37	323.70	5.56	-48.81
CC1=CC(N2CC(C(=O)[O-])CCC2C)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013327361	1	46	0.0	-69.59	366.63	10.65	-58.94
CC1CCC(C(=O)[O-])CN1C1=CC=[NH+]C2=CC(Cl)=CC=C21	REAL300013327385	1	38	0.0	-60.48	294.49	7.75	-52.73
CC1CCC(C(=O)[O-])CN1C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013327392	1	38	0.0	-60.75	299.05	7.85	-52.90
CC1CCC(C(=O)[O-])CN1C1=CC(N2C=CC=N2)=NC(N)=[NH+]1	REAL300013327418	0	40	0.0	-46.57	312.90	7.84	-38.73
CC1CCC(C(=O)[O-])CN1C1=[NH+]C=CC(N2CCOCC2)=N1	REAL300013327419	0	44	0.0	-50.73	320.94	6.56	-44.17
COC1=CC=CC2=C(N3CC(C(=O)[O-])CCC3C)C=C(C)[NH+]=C12	REAL300013327422	1	45	0.0	-47.80	332.93	7.44	-40.36
CC(C)C1=[NH+]C(N(C)C)=NC(N2CC(C(=O)[O-])CCC2C)=N1	REAL300013327429	1	47	0.0	-51.66	346.12	11.88	-39.78
CC(C)C1=NC(N(C)C)=NC(N2CC(C(=O)[O-])CCC2C)=[NH+]1	REAL300013327429	1	47	0.0	-40.19	347.99	11.83	-28.36
CC1CCC(C(=O)[O-])CN1C1=CC=[NH+]C(N2CCCCC2)=N1	REAL300013327435	0	46	0.0	-60.87	343.45	8.58	-52.29
CC1CCC(C(=O)[O-])CN1C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013327445	0	50	0.0	-50.05	362.89	5.09	-44.96
CC1CCC(C(=O)[O-])CN1C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013327445	1	50	0.0	-59.56	366.48	5.38	-54.18
CC1CCC(C(=O)[O-])CN1C1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1	REAL300013327457	0	47	0.0	-55.81	349.93	6.61	-49.20
CC1CCC(C(=O)[O-])CN1C1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1	REAL300013327457	1	47	0.0	-69.96	350.31	6.51	-63.45
CC(C)C1OCCCC1NC1=CC(N2CC(C(=O)[O-])CCC2C)=NC=[NH+]1	REAL300013327466	0	56	0.0	-59.99	404.11	9.46	-50.53
CC(C)C1OCCCC1NC1=CC(N2CC(C(=O)[O-])CCC2C)=[NH+]C=N1	REAL300013327466	1	56	0.0	-48.24	402.66	9.21	-39.03
CC1CCC(C(=O)[O-])CN1C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013327474	0	49	0.0	-55.84	372.31	10.27	-45.57
CCCCNC1=CC(N2CC(C(=O)[O-])CCC2C)=NC(N)=[NH+]1	REAL300013327481	0	47	0.0	-57.80	354.55	7.68	-50.12
CCCCNC1=CC(N2CC(C(=O)[O-])CCC2C)=[NH+]C(N)=N1	REAL300013327481	1	47	0.0	-44.99	351.67	7.59	-37.40
CC(C)NC1=[NH+]C(NCCO)=NC(N2CC(C(=O)[O-])CCC2C)=N1	REAL300013327487	0	50	0.0	-54.76	387.99	6.59	-48.17
CC(C)NC1=NC(NCCO)=[NH+]C(N2CC(C(=O)[O-])CCC2C)=N1	REAL300013327487	1	50	0.0	-41.66	377.54	8.29	-33.37
CC(C)NC1=NC(NCCO)=NC(N2CC(C(=O)[O-])CCC2C)=[NH+]1	REAL300013327487	1	50	0.0	-41.10	376.85	8.29	-32.81
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CC(C(=O)[O-])CCC2C)=N1	REAL300013327496	0	52	0.0	-53.06	390.54	10.87	-42.19
CCNC1=NC(NC(C)(C)C)=NC(N2CC(C(=O)[O-])CCC2C)=[NH+]1	REAL300013327496	1	52	0.0	-39.39	378.72	12.53	-26.86
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CC(C(=O)[O-])CCC2C)=N1	REAL300013327496	1	52	0.0	-38.11	375.20	12.18	-25.93
CC(O)C1CCN(C2=CC(N3CC(C(=O)[O-])CCC3C)=NC=[NH+]2)C1	REAL300013327519	0	50	0.0	-58.60	364.17	5.85	-52.75
CC(O)C1CCN(C2=CC(N3CC(C(=O)[O-])CCC3C)=[NH+]C=N2)C1	REAL300013327519	1	50	0.0	-49.92	366.24	5.84	-44.08
CC1CCC(C(=O)[O-])CN1C1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2	REAL300013327521	1	41	0.0	-54.85	303.07	9.22	-45.63
CCCC1=CC2=C(N3CC(C(=O)[O-])CCC3C)C=C[NH+]=C2C=C1	REAL300013327523	0	47	0.0	-53.29	347.12	9.61	-43.68
CC(C)OC1=CC2=C(N3CC(C(=O)[O-])CCC3C)C=C[NH+]=C2C=C1	REAL300013327525	0	48	0.0	-56.00	351.92	8.25	-47.75
CC1CCC(C(=O)[O-])CN1C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013327618	1	38	0.0	-55.69	304.05	8.01	-47.68
CCOC1=CC2=[NH+]C=CC(N3CC(C(=O)[O-])CCC3C)=C2C=C1OCC	REAL300013327632	0	52	0.0	-55.45	385.03	8.48	-46.97
CCC1=CC(N2CC(C(=O)[O-])CCC2C)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013327634	1	46	0.0	-61.30	355.05	8.93	-52.37
COC1=CC2=[NH+]C=CC(N3CC(C(=O)[O-])CCC3C)=C2C=C1Br	REAL300013327662	0	42	0.0	-55.96	332.57	7.39	-48.57
CC1CCC(C(=O)[O-])CN1C1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1	REAL300013327669	0	52	0.0	-62.11	370.90	9.62	-52.49
CC1=CC(C(F)(F)F)=CC(N2CC(C(=O)[O-])CCC2C)=[NH+]1	REAL300013327674	0	38	0.0	-49.62	312.16	7.64	-41.98
CC1CCC(C(=O)[O-])CN1C1=CC(NC2=CC=CC=C2)=[NH+]C=N1	REAL300013327676	1	43	0.0	-58.13	332.19	9.83	-48.30
COC1=CC2=[NH+]C=CC(N3CC(C(=O)[O-])CCC3C)=C2C=C1OC	REAL300013327678	0	46	0.0	-55.47	341.09	6.65	-48.82
CC1CCC(C(=O)[O-])CN1C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013327696	0	47	0.0	-59.26	365.15	8.70	-50.56
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CC(C(=O)[O-])CCC2C)=N1	REAL300013327721	0	46	0.0	-57.93	351.87	9.31	-48.62
CC1=NC(NC2=CC=CC=C2)=CC(N2CC(C(=O)[O-])CCC2C)=[NH+]1	REAL300013327721	1	46	0.0	-46.10	351.03	10.09	-36.01
CC1=[NH+]C=CC(N2CC(C(=O)[O-])CCC2C)=C1Br	REAL300013327723	0	35	0.0	-57.06	278.25	6.56	-50.50
CC1CCC(C(=O)[O-])CN1C1=[NH+]C=CC(N(C)C2CCCCC2)=N1	REAL300013327725	0	52	0.0	-57.78	373.83	11.01	-46.77
CC1=CC(N(C)C(C)C)=NC(N2CC(C(=O)[O-])CCC2C)=[NH+]1	REAL300013327726	0	48	0.0	-53.01	352.82	9.77	-43.24
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CC(C(=O)[O-])CCC2C)=[NH+]1	REAL300013327729	0	49	0.0	-58.94	374.96	10.89	-48.05
CC1=CC(N2C=CC=N2)=NC(N2CC(C(=O)[O-])CCC2C)=[NH+]1	REAL300013327730	1	41	0.0	-54.82	322.12	8.93	-45.89
CC1=CC(N2CC(C(=O)[O-])CCC2C)=NC(N(C)C(C)C)=[NH+]1	REAL300013327733	0	48	0.0	-49.28	348.42	11.03	-38.25
CC1CCC(C(=O)[O-])CN1C1=CC=[NH+]C(N(C)C2CCCCC2)=N1	REAL300013327736	0	52	0.0	-63.87	374.03	12.00	-51.87
CC1=CC(N2CC(C(=O)[O-])CCC2C)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013327738	1	49	0.0	-60.03	376.71	12.55	-47.48
CC1CCC(C(=O)[O-])CN1C1=C2C=CNC2=NC(C2CC2)=[NH+]1	REAL300013327764	0	42	0.0	-43.52	319.06	8.51	-35.01
CC1CCC(C(=O)[O-])CN1C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013327765	0	42	0.0	-62.52	323.71	7.06	-55.46
CC1CCC(C(=O)[O-])CN1C1=CC(N(C)C)=[NH+]C(N(C)C)=N1	REAL300013327769	1	47	0.0	-55.36	347.72	10.05	-45.31
CC1CCC(C(=O)[O-])CN1C1=CC(N(C)C)=NC(N(C)C)=[NH+]1	REAL300013327769	1	47	0.0	-44.51	344.17	9.53	-34.98
CC1=C(Cl)C2=[NH+]C=CC(N3CC(C(=O)[O-])CCC3C)=C2C=C1	REAL300013327774	1	41	0.0	-49.02	315.82	8.56	-40.46
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC=CC=C32)C[C@H]1C1=CC=CC=C1	REAL300013327785	0	42	0.0	-54.36	330.00	9.71	-44.65
CC1=[NH+]C2=CC=C(F)C=C2C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1	REAL300013327792	0	45	0.0	-53.59	357.69	10.34	-43.25
CCC1=[NH+]C(C)=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013327798	1	44	0.0	-55.03	349.92	9.87	-45.16
O=C([O-])[C@@H]1CN(C2=CC(N3CCSCC3)=NC=[NH+]2)C[C@H]1C1=CC=CC=C1	REAL300013327803	0	48	0.0	-59.35	379.87	10.63	-48.72
O=C([O-])[C@@H]1CN(C2=CC(N3CCSCC3)=[NH+]C=N2)C[C@H]1C1=CC=CC=C1	REAL300013327803	1	48	0.0	-58.27	380.55	10.56	-47.71
O=C([O-])[C@@H]1CN(C2=CC(NCC3CC3)=[NH+]C=N2)C[C@H]1C1=CC=CC=C1	REAL300013327813	0	47	0.0	-65.93	371.23	9.99	-55.94
O=C([O-])[C@@H]1CN(C2=CC(NCC3CC3)=NC=[NH+]2)C[C@H]1C1=CC=CC=C1	REAL300013327813	1	47	0.0	-53.59	371.33	10.00	-43.59
O=C([O-])[C@@H]1CN(C2=CC(N3CCCC3)=[NH+]C=N2)C[C@H]1C1=CC=CC=C1	REAL300013327826	0	47	0.0	-54.98	364.71	10.02	-44.96
O=C([O-])[C@@H]1CN(C2=CC(N3CCCC3)=NC=[NH+]2)C[C@H]1C1=CC=CC=C1	REAL300013327826	1	47	0.0	-47.64	364.75	10.01	-37.63
O=C([O-])[C@@H]1CN(C2=CC(N3CCCCC3)=[NH+]C=N2)C[C@H]1C1=CC=CC=C1	REAL300013327827	0	50	0.0	-55.17	379.78	10.96	-44.21
O=C([O-])[C@@H]1CN(C2=CC(N3CCCCC3)=NC=[NH+]2)C[C@H]1C1=CC=CC=C1	REAL300013327827	1	50	0.0	-46.94	381.63	10.77	-36.17
O=C([O-])[C@@H]1CN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C[C@H]1C1=CC=CC=C1	REAL300013327828	0	54	0.0	-59.58	414.66	7.80	-51.78
O=C([O-])[C@@H]1CN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C[C@H]1C1=CC=CC=C1	REAL300013327828	1	54	0.0	-49.66	413.25	8.05	-41.61
CCCC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1	REAL300013327830	0	51	0.0	-55.78	392.24	11.76	-44.02
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C=C2Cl)C[C@H]1C1=CC=CC=C1	REAL300013327840	1	36	0.0	-69.36	301.03	8.04	-61.32
COC1=CC2=NC(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013327864	0	51	0.0	-53.84	402.46	8.99	-44.85
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C[C@H]1C1=CC=CC=C1	REAL300013327880	0	45	0.0	-65.41	366.94	10.66	-54.75
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)C[C@H]1C1=CC=CC=C1	REAL300013327900	1	42	0.0	-72.21	351.65	10.62	-61.59
O=C([O-])[C@@H]1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)C[C@H]1C1=CC=CC=C1	REAL300013327903	1	39	0.0	-52.94	329.85	9.54	-43.40
CC(C)(C)C1=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=NC(C(C)(C)C)=[NH+]1	REAL300013327905	1	59	0.0	-50.91	443.10	12.75	-38.16
O=C([O-])[C@@H]1CN(C2=CC(N3CCOCC3)=NC=[NH+]2)C[C@H]1C1=CC=CC=C1	REAL300013327914	0	48	0.0	-49.05	372.70	8.31	-40.74
O=C([O-])[C@@H]1CN(C2=CC(N3CCOCC3)=[NH+]C=N2)C[C@H]1C1=CC=CC=C1	REAL300013327914	1	48	0.0	-57.04	370.90	8.51	-48.53
CC1=CC2=[NH+]C(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)=CC(C)=C2C=C1	REAL300013327952	1	48	0.0	-49.34	373.85	11.82	-37.52
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)C[C@H]1C1=CC=CC=C1	REAL300013327977	1	42	0.0	-62.94	344.74	10.17	-52.77
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C[C@H]1C1=CC=CC=C1	REAL300013327993	1	42	0.0	-63.21	349.30	10.27	-52.94
CN(C)C1=[NH+]C=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013328001	0	43	0.0	-66.67	336.89	10.33	-56.34
CCC1=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=NC(C)=[NH+]1	REAL300013328023	1	44	0.0	-54.33	350.81	9.87	-44.46
O=C([O-])[C@@H]1CN(C2=C3SC=CC3=[NH+]C=C2)C[C@H]1C1=CC=CC=C1	REAL300013328031	1	39	0.0	-67.30	326.27	8.87	-58.43
CC1=[NH+]C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C2C=CNC2=N1	REAL300013328040	0	42	0.0	-44.92	333.99	9.20	-35.72
CC1=C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1	REAL300013328042	0	45	0.0	-62.52	341.23	10.28	-52.24
CC(O)CNC1=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=NC=[NH+]1	REAL300013328051	0	47	0.0	-60.38	375.08	6.50	-53.88
CC(O)CNC1=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=[NH+]C=N1	REAL300013328051	1	47	0.0	-55.14	373.24	6.26	-48.88
NC1=[NH+]C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=CC(N2C=CC=N2)=N1	REAL300013328062	0	44	0.0	-51.65	359.03	9.61	-42.04
CN(C)C1=CC=[NH+]C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013328064	0	43	0.0	-52.08	339.89	10.36	-41.72
O=C([O-])[C@@H]1CN(C2=[NH+]C=CC(N3CCOCC3)=N2)C[C@H]1C1=CC=CC=C1	REAL300013328070	0	48	0.0	-64.97	370.32	8.21	-56.76
COC1=CC=CC2=C(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013328078	1	49	0.0	-47.51	379.63	9.70	-37.81
CCC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1	REAL300013328088	0	48	0.0	-55.86	370.75	10.98	-44.88
O=C([O-])[C@@H]1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)C[C@H]1C1=CC=CC=C1	REAL300013328092	1	39	0.0	-52.94	329.85	9.54	-43.40
CC(C)C1=[NH+]C(N(C)C)=NC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013328102	1	51	0.0	-51.06	395.83	13.80	-37.26
CC(C)C1=NC(N(C)C)=NC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013328102	1	51	0.0	-43.21	397.74	13.84	-29.37
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C(N3CCCCC3)=N2)C[C@H]1C1=CC=CC=C1	REAL300013328113	0	50	0.0	-57.24	382.12	11.50	-45.74
NC(=O)C1=C[NH+]=CC=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013328123	0	40	0.0	-87.89	320.86	5.46	-82.43
CCC1=C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013328125	0	51	0.0	-55.79	384.50	11.76	-44.03
CC1=CC2=CC=CC=C2C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013328127	0	45	0.0	-47.04	347.74	11.34	-35.70
CC1=[NH+]C=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1Cl	REAL300013328128	0	39	0.0	-66.61	317.61	8.38	-58.23
O=C([O-])[C@@H]1CN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C[C@H]1C1=CC=CC=C1	REAL300013328137	0	54	0.0	-54.97	409.03	6.85	-48.12
O=C([O-])[C@@H]1CN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C[C@H]1C1=CC=CC=C1	REAL300013328137	1	54	0.0	-55.79	412.25	7.42	-48.37
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1	REAL300013328141	0	47	0.0	-75.92	383.70	11.39	-64.53
CC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1C	REAL300013328149	0	48	0.0	-55.70	363.76	11.03	-44.67
CC1=C2[NH+]=CC(C)=C(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)C2=CC=C1	REAL300013328157	0	48	0.0	-58.69	364.95	11.27	-47.42
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C=C2Br)C[C@H]1C1=CC=CC=C1	REAL300013328158	1	36	0.0	-68.86	304.73	8.16	-60.70
CN1CCN(C2=CC(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013328159	0	51	0.0	-55.48	395.96	8.21	-47.27
CN1CCN(C2=CC(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013328159	1	51	0.0	-67.62	396.60	8.92	-58.70
CCOC(=O)C1=C[NH+]=CC=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013328175	1	45	0.0	-82.34	362.95	10.19	-72.15
CCCCNC1=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013328209	0	51	0.0	-54.12	400.92	10.07	-44.05
CCCCNC1=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013328209	1	51	0.0	-44.72	400.30	9.73	-34.99
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C=C2Br)C[C@H]1C1=CC=CC=C1	REAL300013328216	1	36	0.0	-68.86	304.73	8.16	-60.70
CC(C)NC1=[NH+]C(NCCO)=NC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013328224	0	54	0.0	-57.30	426.29	10.04	-47.26
CC(C)NC1=NC(NCCO)=[NH+]C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013328224	1	54	0.0	-44.97	427.61	10.11	-34.86
CC(C)NC1=NC(NCCO)=NC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013328224	1	54	0.0	-45.15	427.67	10.24	-34.91
O=C([O-])[C@@H]1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)C[C@H]1C1=CC=CC=C1	REAL300013328234	1	39	0.0	-52.94	329.85	9.54	-43.40
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013328241	0	56	0.0	-55.66	429.76	14.37	-41.29
CCNC1=NC(NC(C)(C)C)=NC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013328241	1	56	0.0	-43.66	429.51	14.49	-29.17
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013328241	1	56	0.0	-41.15	427.38	14.07	-27.08
CC(O)C1CCN(C2=CC(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013328294	0	54	0.0	-59.64	409.22	8.12	-51.52
CC(O)C1CCN(C2=CC(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013328294	1	54	0.0	-47.69	412.59	7.52	-40.17
O=C([O-])[C@@H]1CN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C[C@H]1C1=CC=CC=C1	REAL300013328297	1	45	0.0	-46.15	355.73	11.31	-34.84
CCCC1=CC2=C(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013328301	0	51	0.0	-64.04	392.38	11.87	-52.17
CCC1=CC2=C(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013328302	0	48	0.0	-67.86	377.79	11.52	-56.34
CC(C)OC1=CC2=C(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013328306	0	52	0.0	-70.32	397.12	10.52	-59.80
O=C([O-])[C@@H]1CN(C2=CC(NC3CC3)=[NH+]C=N2)C[C@H]1C1=CC=CC=C1	REAL300013328314	0	44	0.0	-65.32	348.90	9.29	-56.03
O=C([O-])[C@@H]1CN(C2=CC(NC3CC3)=NC=[NH+]2)C[C@H]1C1=CC=CC=C1	REAL300013328314	1	44	0.0	-51.77	347.79	9.58	-42.19
CC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1	REAL300013328357	0	45	0.0	-57.57	349.32	10.24	-47.33
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C[C@H]1C1=CC=CC=C1	REAL300013328416	1	42	0.0	-72.10	356.21	10.72	-61.38
O=C([O-])[C@@H]1CN(C2=C3C=CNC3=NC=[NH+]2)C[C@H]1C1=CC=CC=C1	REAL300013328418	0	39	0.0	-54.42	310.50	9.26	-45.16
CCC1=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013328436	1	50	0.0	-56.58	401.47	11.19	-45.39
CC(C)C1=[NH+]C=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013328446	1	44	0.0	-65.88	344.56	9.26	-56.62
O=C([O-])[C@@H]1CN(C2=[NH+]C=CC(N3CCCC3)=N2)C[C@H]1C1=CC=CC=C1	REAL300013328447	0	47	0.0	-64.90	363.72	9.94	-54.96
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC(F)=CC=C32)C[C@H]1C1=CC=CC=C1	REAL300013328466	0	42	0.0	-63.09	334.43	9.74	-53.35
CC1=CC2=C(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)[NH+]=CC=C2C=C1	REAL300013328485	1	45	0.0	-46.52	356.77	11.84	-34.68
CC1=CC=CC2=C(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)[NH+]=CC=C12	REAL300013328486	1	45	0.0	-53.33	346.01	11.33	-42.00
CC1(C)CCCN(C2=CC=[NH+]C(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)=N2)C1	REAL300013328492	0	56	0.0	-52.82	418.42	12.54	-40.28
CC1=CC(C(F)(F)F)=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013328500	0	42	0.0	-58.97	350.68	10.05	-48.92
O=C([O-])[C@@H]1CN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C[C@H]1C1=CC=CC=C1	REAL300013328503	1	47	0.0	-62.84	376.46	11.66	-51.18
COC1=CC2=[NH+]C=CC(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)=C2C=C1OC	REAL300013328508	0	50	0.0	-68.95	393.35	9.35	-59.60
COC1=C(N)[NH+]=CN=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013328527	0	41	0.0	-64.81	330.66	6.92	-57.89
COC1=C(N)N=C[NH+]=C1N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013328527	1	41	0.0	-59.73	332.35	6.65	-53.08
O=C([O-])[C@@H]1CN(C2=C3SC=CC3=[NH+]C=C2)C[C@H]1C1=CC=CC=C1	REAL300013328539	1	39	0.0	-67.30	326.27	8.87	-58.43
O=C([O-])[C@@H]1CN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C[C@H]1C1=CC=CC=C1	REAL300013328554	0	51	0.0	-57.00	404.15	12.42	-44.58
CC1=CC=C2C(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013328592	0	48	0.0	-49.87	380.81	11.31	-38.56
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013328595	0	50	0.0	-54.49	398.02	11.70	-42.79
CC1=NC(NC2=CC=CC=C2)=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013328595	1	50	0.0	-46.05	399.28	12.23	-33.82
CC1=[NH+]C=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1Br	REAL300013328599	0	39	0.0	-63.87	320.39	8.56	-55.31
CN(C)C1=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=NC=[NH+]1	REAL300013328601	0	43	0.0	-59.85	339.19	9.98	-49.87
CN(C)C1=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=[NH+]C=N1	REAL300013328601	1	43	0.0	-47.72	339.32	9.93	-37.79
CN(C1=CC=[NH+]C(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013328602	0	56	0.0	-52.58	419.61	13.80	-38.78
CC1=CC(N(C)C(C)C)=NC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013328603	0	52	0.0	-56.25	396.76	11.88	-44.37
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013328607	0	53	0.0	-61.46	421.61	13.83	-47.63
CC1=CC(N2C=CC=N2)=NC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013328608	1	45	0.0	-49.82	368.38	11.65	-38.17
CC1=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013328611	0	52	0.0	-52.46	399.85	13.12	-39.34
CN(C1=[NH+]C=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013328614	0	56	0.0	-66.85	416.79	13.70	-53.15
CC1=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013328618	1	53	0.0	-55.15	421.84	15.07	-40.08
CC1=CC=CC2=CC=[NH+]C(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)=C12	REAL300013328648	1	45	0.0	-55.81	349.25	13.21	-42.60
O=C([O-])[C@@H]1CN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)C[C@H]1C1=CC=CC=C1	REAL300013328675	0	46	0.0	-47.03	360.49	10.76	-36.27
CN(C)C1=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=NC(N(C)C)=[NH+]1	REAL300013328682	1	51	0.0	-53.52	391.28	12.39	-41.13
CN(C)C1=CC(N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=[NH+]C(N(C)C)=N1	REAL300013328682	1	51	0.0	-48.79	392.25	12.27	-36.52
CC1=C(Cl)C2=[NH+]C=CC(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)=C2C=C1	REAL300013328691	1	45	0.0	-59.68	367.97	11.26	-48.42
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(S(=O)(=O)NC2=CC=CC=C2)C1	REAL300013328694	0	44	0.0	-55.18	362.59	6.90	-48.28
O=C([O-])C1=CC=C[NH+]=C1N1CCC(N2N=NC=C2I)CC1	REAL300013328705	0	35	0.0	-59.01	312.31	7.53	-51.48
COC1=CC=CC(C2(C)CCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=C1	REAL300013328731	0	43	0.0	-52.54	333.45	9.28	-43.26
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(C=C(Br)S2)C1	REAL300013328737	0	30	0.0	-49.94	281.08	8.98	-40.96
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC=C(F)C(Br)=C2C1	REAL300013328753	0	33	0.0	-38.45	279.77	8.61	-29.84
O=C([O-])C1=CC=C[NH+]=C1N1CCC(SC2=CC=C(Br)C=C2)C1	REAL300013328759	0	37	0.0	-47.60	327.39	10.74	-36.86
CC(C[NH+]1CCC(C)CC1)NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013328777	0	43	0.0	-65.69	343.95	9.54	-56.15
CC(C[NH+]1CCC(C)CC1)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013328778	0	46	0.0	-99.25	356.75	9.77	-89.48
O=C([O-])C1=CC=C[NH+]=C1N1CCN(S(=O)(=O)C2CC2)CC1	REAL300013328790	0	38	0.0	-47.86	315.97	5.23	-42.63
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C3=[NH+]C=CC=C3C(=O)[O-])C[C@H]21	REAL300013328823	1	37	0.0	-57.16	303.92	3.09	-54.07
CO[C@@H]1CS(=O)(=O)[C@@H]2CN(C3=[NH+]C=CC=C3C(=O)[O-])C[C@H]12	REAL300013328829	1	37	0.0	-50.56	301.81	3.16	-47.40
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2CCCN(C(=O)C(F)(F)F)C2)CC1	REAL300013328837	0	49	0.0	-57.96	379.97	9.73	-48.23
COC(=O)C1=CC=C(F)C2=C1CN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013328843	0	39	0.0	-41.75	310.43	8.55	-33.20
COC(=O)C1=CN=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)S1	REAL300013328853	0	41	0.0	-58.43	352.63	8.51	-49.92
NC(=O)C1=CN(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)N=N1	REAL300013328897	0	39	0.0	-56.86	323.27	3.01	-53.85
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCC(C(=O)[O-])C(C)C2)=C1	REAL300013328944	0	41	0.0	-63.97	312.90	8.64	-55.33
CC1CN(C2=CC(N3CCSCC3)=NC=[NH+]2)CCC1C(=O)[O-]	REAL300013328950	0	44	0.0	-62.75	337.01	8.62	-54.13
CC1CN(C2=CC(N3CCSCC3)=[NH+]C=N2)CCC1C(=O)[O-]	REAL300013328950	1	44	0.0	-64.85	332.66	8.63	-56.22
CC1CN(C2=CC(N3CCCCC3)=[NH+]C=N2)CCC1C(=O)[O-]	REAL300013328962	0	46	0.0	-62.13	333.81	9.07	-53.06
CC1CN(C2=CC(N3CCCCC3)=NC=[NH+]2)CCC1C(=O)[O-]	REAL300013328962	1	46	0.0	-59.21	337.66	8.74	-50.47
CC1CN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CCC1C(=O)[O-]	REAL300013328963	0	50	0.0	-59.85	370.70	5.64	-54.21
CC1CN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CCC1C(=O)[O-]	REAL300013328963	1	50	0.0	-65.93	365.47	6.36	-59.57
CCCC1=[NH+]C2=CC=CC=C2C(N2CCC(C(=O)[O-])C(C)C2)=C1	REAL300013328964	0	47	0.0	-55.95	350.84	9.72	-46.23
COC1=CC2=NC(N3CCC(C(=O)[O-])C(C)C3)=[NH+]C(N)=C2C=C1OC	REAL300013328988	0	47	0.0	-63.20	362.51	7.19	-56.01
CC1CN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)CCC1C(=O)[O-]	REAL300013328995	0	41	0.0	-69.79	335.93	9.23	-60.56
CC1CN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)CCC1C(=O)[O-]	REAL300013329002	1	38	0.0	-70.96	313.74	8.75	-62.21
CC1CN(C2=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N2)CCC1C(=O)[O-]	REAL300013329004	1	55	0.0	-55.64	402.84	10.76	-44.88
CC1CN(C2=CC(N3CCOCC3)=NC=[NH+]2)CCC1C(=O)[O-]	REAL300013329011	0	44	0.0	-61.48	328.81	6.28	-55.20
CC1CN(C2=CC(N3CCOCC3)=[NH+]C=N2)CCC1C(=O)[O-]	REAL300013329011	1	44	0.0	-63.69	323.03	6.57	-57.12
CC1=CC(N2CCC(C(=O)[O-])C(C)C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013329016	1	46	0.0	-71.48	372.76	10.93	-60.55
CC1CN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CCC1C(=O)[O-]	REAL300013329040	1	38	0.0	-66.97	313.73	8.74	-58.23
CC1CN(C2=CC=[NH+]C3=CC(Br)=CC=C32)CCC1C(=O)[O-]	REAL300013329049	1	38	0.0	-67.22	318.29	8.85	-58.37
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCC(C(=O)[O-])C(C)C2)=C1C	REAL300013329075	0	44	0.0	-61.54	338.32	9.86	-51.68
CC1CN(C2=CC(N3C=CC=N3)=NC(N)=[NH+]2)CCC1C(=O)[O-]	REAL300013329101	0	40	0.0	-58.56	317.59	7.95	-50.61
CC1CN(C2=[NH+]C=CC(N3CCOCC3)=N2)CCC1C(=O)[O-]	REAL300013329104	0	44	0.0	-62.69	325.38	7.10	-55.59
COC1=CC=CC2=C(N3CCC(C(=O)[O-])C(C)C3)C=C(C)[NH+]=C12	REAL300013329109	1	45	0.0	-55.81	334.78	8.00	-47.81
CCOC(=O)C1=C(N2CCC(C(=O)[O-])C(C)C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013329110	1	50	0.0	-72.40	384.85	8.59	-63.81
CCOC(=O)C1=C(N2CCC(C(=O)[O-])C(C)C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013329111	1	53	0.0	-68.19	397.68	11.37	-56.82
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013329123	1	47	0.0	-57.79	353.68	11.37	-46.42
CC(C)C1=NC(N(C)C)=NC(N2CCC(C(=O)[O-])C(C)C2)=[NH+]1	REAL300013329123	1	47	0.0	-50.66	351.59	12.08	-38.58
CC1CN(C2=CC=[NH+]C(N3CCCCC3)=N2)CCC1C(=O)[O-]	REAL300013329129	0	46	0.0	-62.35	334.29	9.56	-52.79
CCC1=C(N2CCC(C(=O)[O-])C(C)C2)C2=CC=CC=C2[NH+]=C1C	REAL300013329139	0	47	0.0	-57.97	338.55	9.99	-47.98
CC1CN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)CCC1C(=O)[O-]	REAL300013329145	0	50	0.0	-59.21	368.97	4.81	-54.40
CC1CN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)CCC1C(=O)[O-]	REAL300013329145	1	50	0.0	-65.13	371.21	5.84	-59.29
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCC(C(=O)[O-])C(C)C2)=C1	REAL300013329150	0	43	0.0	-73.86	334.55	9.24	-64.62
CC1CN(C2=CC(N3CCN(C)C(=O)C3)=NC=[NH+]2)CCC1C(=O)[O-]	REAL300013329160	0	47	0.0	-69.17	354.29	6.73	-62.44
CC1CN(C2=CC(N3CCN(C)C(=O)C3)=[NH+]C=N2)CCC1C(=O)[O-]	REAL300013329160	1	47	0.0	-63.40	353.39	6.30	-57.10
CC(C)C1OCCCC1NC1=CC(N2CCC(C(=O)[O-])C(C)C2)=NC=[NH+]1	REAL300013329170	0	56	0.0	-63.63	410.35	9.73	-53.90
CC(C)C1OCCCC1NC1=CC(N2CCC(C(=O)[O-])C(C)C2)=[NH+]C=N1	REAL300013329170	1	56	0.0	-57.81	400.19	9.77	-48.04
CC1CN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)CCC1C(=O)[O-]	REAL300013329190	0	49	0.0	-73.45	385.78	11.09	-62.36
CC1CN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)CCC1C(=O)[O-]	REAL300013329195	1	45	0.0	-52.39	353.36	10.95	-41.44
CCCCNC1=CC(N2CCC(C(=O)[O-])C(C)C2)=NC(N)=[NH+]1	REAL300013329202	0	47	0.0	-61.03	360.66	7.96	-53.07
CCCCNC1=CC(N2CCC(C(=O)[O-])C(C)C2)=[NH+]C(N)=N1	REAL300013329202	1	47	0.0	-52.60	357.73	7.32	-45.28
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013329213	0	50	0.0	-57.26	379.46	8.46	-48.80
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013329213	1	50	0.0	-52.48	381.14	8.53	-43.95
CC(C)NC1=NC(NCCO)=NC(N2CCC(C(=O)[O-])C(C)C2)=[NH+]1	REAL300013329213	1	50	0.0	-51.59	380.48	8.51	-43.08
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013329226	0	52	0.0	-54.41	384.55	11.28	-43.13
CCNC1=NC(NC(C)(C)C)=NC(N2CCC(C(=O)[O-])C(C)C2)=[NH+]1	REAL300013329226	1	52	0.0	-50.77	382.34	12.76	-38.01
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013329226	1	52	0.0	-48.18	379.61	12.37	-35.81
CC(O)C1CCN(C2=CC(N3CCC(C(=O)[O-])C(C)C3)=[NH+]C=N2)C1	REAL300013329265	0	50	0.0	-58.95	372.56	5.61	-53.34
CC(O)C1CCN(C2=CC(N3CCC(C(=O)[O-])C(C)C3)=NC=[NH+]2)C1	REAL300013329265	1	50	0.0	-62.83	372.74	5.81	-57.02
CC1CN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CCC1C(=O)[O-]	REAL300013329267	1	41	0.0	-58.30	303.58	9.39	-48.91
CCCC1=CC2=C(N3CCC(C(=O)[O-])C(C)C3)C=C[NH+]=C2C=C1	REAL300013329270	0	47	0.0	-66.50	361.38	10.44	-56.06
CC(C)OC1=CC2=C(N3CCC(C(=O)[O-])C(C)C3)C=C[NH+]=C2C=C1	REAL300013329272	0	48	0.0	-68.53	354.30	8.86	-59.67
CC1CN(C2=CC=[NH+]C3=CC=C(Br)C=C32)CCC1C(=O)[O-]	REAL300013329388	1	38	0.0	-71.05	318.30	8.86	-62.19
CCOC1=CC2=[NH+]C=CC(N3CCC(C(=O)[O-])C(C)C3)=C2C=C1OCC	REAL300013329405	0	52	0.0	-66.29	387.35	9.09	-57.20
CCC1=CC(N2CCC(C(=O)[O-])C(C)C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013329407	1	46	0.0	-63.05	361.21	9.20	-53.85
COC1=CC2=[NH+]C=CC(N3CCC(C(=O)[O-])C(C)C3)=C2C=C1Br	REAL300013329444	0	42	0.0	-69.15	334.94	7.99	-61.16
CC1CN(C2=[NH+]C=CC(N3CCCC(C)(C)C3)=N2)CCC1C(=O)[O-]	REAL300013329452	0	52	0.0	-61.65	378.45	10.75	-50.90
CC1=CC2=C(N3CCC(C(=O)[O-])C(C)C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013329457	0	51	0.0	-57.76	369.03	11.30	-46.46
CC1=CC(C(F)(F)F)=CC(N2CCC(C(=O)[O-])C(C)C2)=[NH+]1	REAL300013329460	0	38	0.0	-57.68	304.53	7.82	-49.86
CC1CN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CCC1C(=O)[O-]	REAL300013329462	1	43	0.0	-60.89	334.94	10.05	-50.84
COC1=CC2=[NH+]C=CC(N3CCC(C(=O)[O-])C(C)C3)=C2C=C1OC	REAL300013329465	0	46	0.0	-66.52	343.64	7.25	-59.27
CC1CN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CCC1C(=O)[O-]	REAL300013329493	0	47	0.0	-64.14	358.27	10.77	-53.37
CC1=CC=C2C(N3CCC(C(=O)[O-])C(C)C3)=CC(C)=[NH+]C2=C1Cl	REAL300013329519	0	44	0.0	-54.88	339.49	9.74	-45.14
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCC(C(=O)[O-])C(C)C2)=N1	REAL300013329521	0	46	0.0	-58.00	358.15	10.09	-47.91
CC1=NC(NC2=CC=CC=C2)=CC(N2CCC(C(=O)[O-])C(C)C2)=[NH+]1	REAL300013329521	1	46	0.0	-55.31	353.05	10.14	-45.17
CC1=[NH+]C=CC(N2CCC(C(=O)[O-])C(C)C2)=C1Br	REAL300013329524	0	35	0.0	-67.03	278.58	7.01	-60.02
CC1CN(C2=[NH+]C=CC(N(C)C3CCCCC3)=N2)CCC1C(=O)[O-]	REAL300013329526	0	52	0.0	-56.50	375.14	11.70	-44.80
CC1=CC(N(C)C(C)C)=NC(N2CCC(C(=O)[O-])C(C)C2)=[NH+]1	REAL300013329527	0	48	0.0	-52.48	355.06	10.39	-42.09
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC(C(=O)[O-])C(C)C2)=[NH+]1	REAL300013329530	0	49	0.0	-51.58	378.11	12.43	-39.15
CC1=CC(N2C=CC=N2)=NC(N2CCC(C(=O)[O-])C(C)C2)=[NH+]1	REAL300013329531	1	41	0.0	-57.97	328.37	9.76	-48.21
CC1=CC(N2CCC(C(=O)[O-])C(C)C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013329534	0	48	0.0	-59.09	359.63	11.00	-48.09
CC1CN(C2=CC=[NH+]C(N(C)C3CCCCC3)=N2)CCC1C(=O)[O-]	REAL300013329537	0	52	0.0	-63.89	379.71	12.31	-51.58
CC1=CC(N2CCC(C(=O)[O-])C(C)C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013329539	1	49	0.0	-60.70	382.41	12.89	-47.81
CC1CN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)CCC1C(=O)[O-]	REAL300013329581	0	42	0.0	-52.50	318.56	9.15	-43.35
CC1CN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)CCC1C(=O)[O-]	REAL300013329582	0	42	0.0	-68.86	342.93	8.05	-60.81
CC1CN(C2=CC(N(C)C)=[NH+]C(N(C)C)=N2)CCC1C(=O)[O-]	REAL300013329586	1	47	0.0	-57.89	352.59	10.33	-47.56
CC1CN(C2=CC(N(C)C)=NC(N(C)C)=[NH+]2)CCC1C(=O)[O-]	REAL300013329586	1	47	0.0	-52.22	350.77	10.36	-41.86
CC1=C(Cl)C2=[NH+]C=CC(N3CCC(C(=O)[O-])C(C)C3)=C2C=C1	REAL300013329593	1	41	0.0	-60.95	330.06	9.39	-51.56
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OC2=CC=CC(F)=C2)CC1	REAL300013329643	0	40	0.0	-52.60	323.17	9.49	-43.11
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=NC(C3CCCC3)=NO2)CC1	REAL300013329650	0	50	0.0	-52.08	387.23	9.36	-42.72
COC1=CC(OC)=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C(OC)=C1	REAL300013329656	0	51	0.0	-50.98	389.37	8.86	-42.12
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OCC2=CC=C(F)C=C2)CC1	REAL300013329662	0	43	0.0	-56.23	351.25	10.11	-46.12
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(C2=CC=C(F)C(F)=C2)C1	REAL300013329671	0	39	0.0	-56.32	320.30	10.55	-45.77
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=NC(C3CCCCC3)=NO2)CC1	REAL300013329677	0	53	0.0	-51.86	405.80	10.05	-41.81
CC1CN(C2=[NH+]C=CC=C2C(=O)[O-])CC(CC(F)(F)F)O1	REAL300013329698	0	36	0.0	-52.54	301.12	7.40	-45.14
CC1=CC=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C(C)=C1	REAL300013329710	0	44	0.0	-50.09	343.96	9.95	-40.14
CCOC1=CC=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)N=N1	REAL300013329716	0	43	0.0	-56.62	345.72	5.27	-51.35
CC1=CC=C2CN(C3=[NH+]C=CC=C3C(=O)[O-])CC2=C1Br	REAL300013329722	0	33	0.0	-49.90	288.41	9.42	-40.48
O=C([O-])C1(CNC2=CC(N3CCSCC3)=NC=[NH+]2)CCC1	REAL300013329747	0	41	0.0	-44.30	324.72	8.54	-35.76
O=C([O-])C1(CNC2=CC(N3CCSCC3)=[NH+]C=N2)CCC1	REAL300013329747	1	41	0.0	-50.89	326.46	7.92	-42.97
O=C([O-])C1(CNC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CCC1	REAL300013329752	0	47	0.0	-44.31	356.74	5.94	-38.37
O=C([O-])C1(CNC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CCC1	REAL300013329752	1	47	0.0	-53.70	354.37	5.78	-47.92
COC1=CC=C(NC2=CC(NCC3(C(=O)[O-])CCC3)=[NH+]C=N2)C(OC)=C1	REAL300013329754	1	48	0.0	-45.43	377.93	9.06	-36.37
COC1=CC2=NC(NCC3(C(=O)[O-])CCC3)=[NH+]C(N)=C2C=C1OC	REAL300013329769	0	44	0.0	-54.14	345.64	7.18	-46.96
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)CCC1	REAL300013329776	0	38	0.0	-50.99	315.88	8.74	-42.25
CC(C)(C)C1=CC(NCC2(C(=O)[O-])CCC2)=NC(C(C)(C)C)=[NH+]1	REAL300013329782	1	52	0.0	-45.01	385.93	10.47	-34.54
CC1=CC(NCC2(C(=O)[O-])CCC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013329790	1	43	0.0	-57.38	355.89	10.62	-46.76
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(Br)=CC=C23)CCC1	REAL300013329819	1	35	0.0	-49.43	298.60	8.34	-41.09
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC2(C(=O)[O-])CCC2)=C1C	REAL300013329841	0	41	0.0	-54.06	335.40	9.39	-44.67
COC1=CC=CC2=C(NCC3(C(=O)[O-])CCC3)C=C(C)[NH+]=C12	REAL300013329867	1	42	0.0	-42.70	327.25	7.73	-34.97
CCOC(=O)C1=C(NCC2(C(=O)[O-])CCC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013329868	1	47	0.0	-61.84	376.26	8.10	-53.74
CCOC(=O)C1=C(NCC2(C(=O)[O-])CCC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013329869	1	50	0.0	-54.45	385.71	10.77	-43.68
O=C([O-])C1(CNC2=CC(N3CCCCC3CO)=NC=[NH+]2)CCC1	REAL300013329888	0	47	0.0	-43.46	355.01	5.11	-38.35
O=C([O-])C1(CNC2=CC(N3CCCCC3CO)=[NH+]C=N2)CCC1	REAL300013329888	1	47	0.0	-50.06	355.78	5.31	-44.75
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC2(C(=O)[O-])CCC2)=C1	REAL300013329892	0	40	0.0	-60.07	326.97	8.97	-51.10
CN1CCN(C2=CC(NCC3(C(=O)[O-])CCC3)=[NH+]C=N2)CC1=O	REAL300013329900	0	44	0.0	-48.34	341.72	6.65	-41.69
CN1CCN(C2=CC(NCC3(C(=O)[O-])CCC3)=NC=[NH+]2)CC1=O	REAL300013329900	1	44	0.0	-59.81	339.43	6.47	-53.34
CC(C)C1OCCCC1NC1=CC(NCC2(C(=O)[O-])CCC2)=[NH+]C=N1	REAL300013329908	0	53	0.0	-41.36	394.47	9.25	-32.11
CC(C)C1OCCCC1NC1=CC(NCC2(C(=O)[O-])CCC2)=NC=[NH+]1	REAL300013329908	1	53	0.0	-50.41	393.46	9.42	-40.99
COC1=CC=CC2=C(NCC3(C(=O)[O-])CCC3)C(C)=C[NH+]=C12	REAL300013329916	1	42	0.0	-48.88	318.17	7.36	-41.52
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)CCC1	REAL300013329926	0	46	0.0	-55.83	368.00	10.64	-45.19
O=C([O-])C1(CNC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)CCC1	REAL300013329932	1	42	0.0	-39.21	346.61	10.60	-28.61
CC(C)NC1=NC(NCCO)=[NH+]C(NCC2(C(=O)[O-])CCC2)=N1	REAL300013329947	0	47	0.0	-42.54	371.31	8.41	-34.13
CC(C)NC1=NC(NCCO)=NC(NCC2(C(=O)[O-])CCC2)=[NH+]1	REAL300013329947	1	47	0.0	-42.13	370.94	8.38	-33.75
CC(C)NC1=[NH+]C(NCCO)=NC(NCC2(C(=O)[O-])CCC2)=N1	REAL300013329947	1	47	0.0	-48.01	370.71	8.39	-39.62
CCNC1=[NH+]C(NCC2(C(=O)[O-])CCC2)=NC(NC(C)(C)C)=N1	REAL300013329957	0	49	0.0	-41.37	372.50	12.62	-28.75
CCNC1=NC(NCC2(C(=O)[O-])CCC2)=NC(NC(C)(C)C)=[NH+]1	REAL300013329957	1	49	0.0	-44.14	369.53	12.40	-31.74
CCNC1=NC(NCC2(C(=O)[O-])CCC2)=[NH+]C(NC(C)(C)C)=N1	REAL300013329957	1	49	0.0	-39.08	370.60	12.32	-26.76
CN(C1=CC=CC=C1)C1=CC(NCC2(C(=O)[O-])CCC2)=[NH+]C=N1	REAL300013329968	1	43	0.0	-43.13	342.57	10.43	-32.70
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)CCC1	REAL300013329987	1	35	0.0	-54.13	300.12	8.30	-45.83
CC(O)C1CCN(C2=CC(NCC3(C(=O)[O-])CCC3)=[NH+]C=N2)C1	REAL300013329988	0	47	0.0	-41.54	354.40	5.98	-35.56
CC(O)C1CCN(C2=CC(NCC3(C(=O)[O-])CCC3)=NC=[NH+]2)C1	REAL300013329988	1	47	0.0	-51.94	355.06	5.58	-46.36
CC(C)OC1=CC2=C(NCC3(C(=O)[O-])CCC3)C=C[NH+]=C2C=C1	REAL300013329993	0	45	0.0	-56.20	346.73	8.58	-47.62
CCC1=CC(NCC2(C(=O)[O-])CCC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013330077	1	46	0.0	-55.40	377.34	11.35	-44.05
C[NH+](C)CC1=NC(NCC2(C(=O)[O-])CCC2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013330098	1	52	0.0	-59.43	406.93	11.99	-47.44
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(Br)C=C23)CCC1	REAL300013330099	1	35	0.0	-53.82	298.89	8.35	-45.47
O=C([O-])C1(CNC2=CC=[NH+]C3=C(Br)C=CC=C23)CCC1	REAL300013330106	1	35	0.0	-44.09	296.25	8.44	-35.65
CCOC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCC3)=C2C=C1OCC	REAL300013330114	0	49	0.0	-52.60	379.74	8.82	-43.78
CCC1=CC(NCC2(C(=O)[O-])CCC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013330116	1	43	0.0	-51.13	344.32	8.90	-42.23
COC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCC3)=C2C=C1Br	REAL300013330147	0	39	0.0	-54.61	327.36	7.71	-46.90
CC1(C)CCCN(C2=CC=[NH+]C(NCC3(C(=O)[O-])CCC3)=N2)C1	REAL300013330155	0	49	0.0	-53.08	363.23	10.27	-42.81
CC1=CC2=C(NCC3(C(=O)[O-])CCC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013330160	0	48	0.0	-50.20	367.77	10.95	-39.25
COC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCC3)=C2C=C1OC	REAL300013330165	0	43	0.0	-52.89	336.01	6.98	-45.91
O=C([O-])C1(CNC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CCC1	REAL300013330184	0	44	0.0	-53.06	347.45	10.53	-42.53
CC1=CC=C2C(NCC3(C(=O)[O-])CCC3)=CC(C)=[NH+]C2=C1Cl	REAL300013330200	0	41	0.0	-40.84	331.95	9.47	-31.37
CC1=NC(NCC2(C(=O)[O-])CCC2)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013330203	0	43	0.0	-46.41	341.24	9.72	-36.69
CC1=[NH+]C(NCC2(C(=O)[O-])CCC2)=CC(NC2=CC=CC=C2)=N1	REAL300013330203	1	43	0.0	-39.76	342.80	10.17	-29.59
CN(C1=CC=[NH+]C(NCC2(C(=O)[O-])CCC2)=N1)C1CCCCC1	REAL300013330207	0	49	0.0	-49.86	362.68	11.94	-37.92
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC2(C(=O)[O-])CCC2)=[NH+]1	REAL300013330210	0	46	0.0	-49.93	364.33	11.73	-38.20
CN(C1=[NH+]C=CC(NCC2(C(=O)[O-])CCC2)=N1)C1CCCCC1	REAL300013330213	0	49	0.0	-53.11	363.11	11.97	-41.14
CC1=CC(NCC2(C(=O)[O-])CCC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013330215	1	46	0.0	-51.03	364.58	12.62	-38.41
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)CCC1	REAL300013330249	0	39	0.0	-50.87	323.23	7.53	-43.34
CC1=C(Cl)C2=[NH+]C=CC(NCC3(C(=O)[O-])CCC3)=C2C=C1	REAL300013330255	1	38	0.0	-44.25	310.66	8.89	-35.36
C[C@@H]1CCN(C2=[NH+]C=CC=C2C(=O)[O-])C[C@@H]1NC(=O)C(F)(F)F	REAL300013330266	1	39	0.0	-49.97	325.20	6.84	-43.13
CN1CC[N@H+](CC2=CC=CC=C2)C(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013330279	0	49	0.0	-78.39	374.40	8.13	-70.26
CN1CC[N@@H+](CC2=CC=CC=C2)C(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013330279	1	49	0.0	-70.09	367.72	7.44	-62.65
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013330279	1	49	0.0	-80.88	378.88	8.37	-72.51
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013330279	1	49	0.0	-74.33	363.53	7.02	-67.31
CN1CC[N@H+](CC2=CC=CC=C2)C(CNC2=NC=CC=C2C(=O)[O-])C1	REAL300013330280	0	49	0.0	-55.08	370.08	8.67	-46.41
CN1CC[N@@H+](CC2=CC=CC=C2)C(CNC2=NC=CC=C2C(=O)[O-])C1	REAL300013330280	1	49	0.0	-43.74	363.80	7.99	-35.75
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC2=NC=CC=C2C(=O)[O-])C1	REAL300013330280	1	49	0.0	-53.52	366.88	8.00	-45.52
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC2=NC=CC=C2C(=O)[O-])C1	REAL300013330280	1	49	0.0	-55.92	359.08	7.54	-48.38
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013330281	1	49	0.0	-73.03	394.85	9.49	-63.54
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013330281	1	49	0.0	-73.97	394.59	9.32	-64.65
CN1CC[N@H+](CC2=CC=CC=C2)C(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013330282	0	49	0.0	-78.39	374.40	8.13	-70.26
CN1CC[N@@H+](CC2=CC=CC=C2)C(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013330282	1	49	0.0	-70.09	367.72	7.44	-62.65
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013330282	1	49	0.0	-80.88	378.88	8.37	-72.51
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013330282	1	49	0.0	-74.33	363.53	7.02	-67.31
CN1CC[N@H+](CC2=CC=CC=C2)C(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013330283	0	49	0.0	-78.39	374.40	8.13	-70.26
CN1CC[N@@H+](CC2=CC=CC=C2)C(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013330283	1	49	0.0	-70.09	367.72	7.44	-62.65
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013330283	1	49	0.0	-80.88	378.88	8.37	-72.51
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013330283	1	49	0.0	-74.33	363.53	7.02	-67.31
CN1CC[N@H+](CC2=CC=CC=C2)C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013330284	0	52	0.0	-95.54	396.51	8.65	-86.89
CN1CC[N@@H+](CC2=CC=CC=C2)C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013330284	1	52	0.0	-103.50	403.11	9.31	-94.19
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013330284	1	52	0.0	-104.82	407.63	9.60	-95.22
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013330284	1	52	0.0	-104.91	407.70	9.61	-95.30
CC1=CC=[NH+]C(NCC(CC(=O)[O-])C2CC2)=C1Br	REAL300013330290	1	35	0.0	-59.11	288.72	8.97	-50.14
CC1=[NH+]C2=CC=C(F)C=C2C(NCC(CC(=O)[O-])C2CC2)=C1	REAL300013330291	0	41	0.0	-58.22	322.46	9.49	-48.73
O=C([O-])CC(CNC1=CC(N2CCSCC2)=NC=[NH+]1)C1CC1	REAL300013330297	0	44	0.0	-56.83	348.21	9.27	-47.56
O=C([O-])CC(CNC1=CC(N2CCSCC2)=[NH+]C=N1)C1CC1	REAL300013330297	1	44	0.0	-61.75	341.47	9.18	-52.57
O=C([O-])CC(CNC1=CC(N2CCCCC2)=NC=[NH+]1)C1CC1	REAL300013330309	0	46	0.0	-47.73	350.91	9.43	-38.30
O=C([O-])CC(CNC1=CC(N2CCCCC2)=[NH+]C=N1)C1CC1	REAL300013330309	1	46	0.0	-58.70	340.16	9.62	-49.08
O=C([O-])CC(CNC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C1CC1	REAL300013330310	0	50	0.0	-60.62	374.18	7.08	-53.54
O=C([O-])CC(CNC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C1CC1	REAL300013330310	1	50	0.0	-60.01	378.07	6.50	-53.51
CCCC1=[NH+]C2=CC=CC=C2C(NCC(CC(=O)[O-])C2CC2)=C1	REAL300013330311	0	47	0.0	-51.31	365.31	10.55	-40.76
COC1=CC=C(NC2=CC(NCC(CC(=O)[O-])C3CC3)=[NH+]C=N2)C(OC)=C1	REAL300013330313	1	51	0.0	-57.43	402.12	9.68	-47.75
COC1=CC2=NC(NCC(CC(=O)[O-])C3CC3)=[NH+]C(N)=C2C=C1OC	REAL300013330335	0	47	0.0	-61.62	369.41	7.92	-53.70
O=C([O-])CC(CNC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C1CC1	REAL300013330342	0	41	0.0	-59.77	339.98	9.46	-50.31
O=C([O-])CC(CNC1=CC=[NH+]C2=CC=C(Cl)C=C12)C1CC1	REAL300013330349	1	38	0.0	-60.74	317.79	8.98	-51.76
CC(C)(C)C1=CC(NCC(CC(=O)[O-])C2CC2)=NC(C(C)(C)C)=[NH+]1	REAL300013330351	1	55	0.0	-51.03	409.67	11.22	-39.81
O=C([O-])CC(CNC1=CC(N2CCOCC2)=NC=[NH+]1)C1CC1	REAL300013330358	0	44	0.0	-55.85	339.96	6.93	-48.92
O=C([O-])CC(CNC1=CC(N2CCOCC2)=[NH+]C=N1)C1CC1	REAL300013330358	1	44	0.0	-60.70	331.22	7.17	-53.53
CC1=CC(NCC(CC(=O)[O-])C2CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013330363	1	46	0.0	-65.40	379.64	11.35	-54.05
O=C([O-])CC(CNC1=CC=[NH+]C2=CC(Cl)=CC=C12)C1CC1	REAL300013330387	1	38	0.0	-57.45	317.77	8.97	-48.48
O=C([O-])CC(CNC1=CC=[NH+]C2=CC(Br)=CC=C12)C1CC1	REAL300013330396	1	38	0.0	-57.60	322.33	9.07	-48.53
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC(CC(=O)[O-])C2CC2)=C1C	REAL300013330422	0	44	0.0	-49.81	364.60	10.29	-39.52
NC1=[NH+]C(NCC(CC(=O)[O-])C2CC2)=CC(N2C=CC=N2)=N1	REAL300013330448	0	40	0.0	-53.14	328.76	8.59	-44.55
O=C([O-])CC(CNC1=[NH+]C=CC(N2CCOCC2)=N1)C1CC1	REAL300013330451	0	44	0.0	-61.17	333.60	8.07	-53.10
COC1=CC=CC2=C(NCC(CC(=O)[O-])C3CC3)C=C(C)[NH+]=C12	REAL300013330456	1	45	0.0	-50.06	350.72	8.45	-41.61
CCOC(=O)C1=C(NCC(CC(=O)[O-])C2CC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013330457	1	50	0.0	-58.44	404.77	8.98	-49.46
CCOC(=O)C1=C(NCC(CC(=O)[O-])C2CC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013330458	1	53	0.0	-60.23	405.26	12.11	-48.12
CC(C)C1=[NH+]C(NCC(CC(=O)[O-])C2CC2)=NC(N(C)C)=N1	REAL300013330470	1	47	0.0	-50.34	359.22	13.06	-37.28
CC(C)C1=NC(NCC(CC(=O)[O-])C2CC2)=NC(N(C)C)=[NH+]1	REAL300013330470	1	47	0.0	-47.08	366.18	12.75	-34.33
O=C([O-])CC(CNC1=CC=[NH+]C(N2CCCCC2)=N1)C1CC1	REAL300013330476	0	46	0.0	-46.86	350.84	9.84	-37.02
CCC1=C(NCC(CC(=O)[O-])C2CC2)C2=CC=CC=C2[NH+]=C1C	REAL300013330486	0	47	0.0	-47.18	362.43	10.39	-36.79
O=C([O-])CC(CNC1=CC(N2CCCCC2CO)=NC=[NH+]1)C1CC1	REAL300013330492	0	50	0.0	-56.54	378.69	5.85	-50.69
O=C([O-])CC(CNC1=CC(N2CCCCC2CO)=[NH+]C=N1)C1CC1	REAL300013330492	1	50	0.0	-52.45	381.60	6.10	-46.35
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC(CC(=O)[O-])C2CC2)=C1	REAL300013330497	0	43	0.0	-53.21	352.51	9.75	-43.46
CN1CCN(C2=CC(NCC(CC(=O)[O-])C3CC3)=[NH+]C=N2)CC1=O	REAL300013330507	0	47	0.0	-61.79	365.47	7.38	-54.41
CN1CCN(C2=CC(NCC(CC(=O)[O-])C3CC3)=NC=[NH+]2)CC1=O	REAL300013330507	1	47	0.0	-67.93	363.18	7.18	-60.75
CC(C)C1OCCCC1NC1=CC(NCC(CC(=O)[O-])C2CC2)=[NH+]C=N1	REAL300013330517	0	56	0.0	-57.55	412.63	10.28	-47.27
CC(C)C1OCCCC1NC1=CC(NCC(CC(=O)[O-])C2CC2)=NC=[NH+]1	REAL300013330517	1	56	0.0	-58.78	411.34	10.49	-48.29
COC1=CC=CC2=C(NCC(CC(=O)[O-])C3CC3)C(C)=C[NH+]=C12	REAL300013330527	1	45	0.0	-54.91	342.50	8.98	-45.93
O=C([O-])CC(CNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C1CC1	REAL300013330537	0	49	0.0	-63.64	390.64	11.33	-52.31
O=C([O-])CC(CNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12)C1CC1	REAL300013330542	1	45	0.0	-49.67	363.60	11.75	-37.92
CCCCNC1=CC(NCC(CC(=O)[O-])C2CC2)=NC(N)=[NH+]1	REAL300013330549	0	47	0.0	-55.37	367.54	8.36	-47.01
CCCCNC1=CC(NCC(CC(=O)[O-])C2CC2)=[NH+]C(N)=N1	REAL300013330549	1	47	0.0	-49.96	367.47	8.36	-41.60
CC(C)NC1=NC(NCCO)=[NH+]C(NCC(CC(=O)[O-])C2CC2)=N1	REAL300013330560	0	50	0.0	-51.37	395.10	9.14	-42.23
CC(C)NC1=NC(NCCO)=NC(NCC(CC(=O)[O-])C2CC2)=[NH+]1	REAL300013330560	1	50	0.0	-50.46	394.44	9.11	-41.35
CC(C)NC1=[NH+]C(NCCO)=NC(NCC(CC(=O)[O-])C2CC2)=N1	REAL300013330560	1	50	0.0	-53.61	394.49	9.11	-44.50
CCNC1=[NH+]C(NCC(CC(=O)[O-])C2CC2)=NC(NC(C)(C)C)=N1	REAL300013330573	0	52	0.0	-49.92	396.28	13.37	-36.55
CCNC1=NC(NCC(CC(=O)[O-])C2CC2)=NC(NC(C)(C)C)=[NH+]1	REAL300013330573	1	52	0.0	-51.82	398.18	13.44	-38.38
CCNC1=NC(NCC(CC(=O)[O-])C2CC2)=[NH+]C(NC(C)(C)C)=N1	REAL300013330573	1	52	0.0	-49.38	398.13	13.43	-35.95
CN(C1=CC=CC=C1)C1=CC(NCC(CC(=O)[O-])C2CC2)=[NH+]C=N1	REAL300013330588	1	46	0.0	-52.29	367.13	11.98	-40.31
O=C([O-])CC(CNC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12)C1CC1	REAL300013330611	1	38	0.0	-62.46	323.58	9.03	-53.43
CC(O)C1CCN(C2=CC(NCC(CC(=O)[O-])C3CC3)=[NH+]C=N2)C1	REAL300013330612	0	50	0.0	-58.03	371.84	7.10	-50.93
CC(O)C1CCN(C2=CC(NCC(CC(=O)[O-])C3CC3)=NC=[NH+]2)C1	REAL300013330612	1	50	0.0	-60.28	372.96	6.66	-53.62
O=C([O-])CC(CNC1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2)C1CC1	REAL300013330614	1	41	0.0	-56.96	327.22	10.40	-46.56
CCCC1=CC2=C(NCC(CC(=O)[O-])C3CC3)C=C[NH+]=C2C=C1	REAL300013330617	0	47	0.0	-56.90	365.44	10.67	-46.23
CC(C)OC1=CC2=C(NCC(CC(=O)[O-])C3CC3)C=C[NH+]=C2C=C1	REAL300013330619	0	48	0.0	-61.40	369.79	9.30	-52.10
CC1=CC(NCC(CC(=O)[O-])C2CC2)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013330713	1	43	0.0	-56.77	346.45	8.88	-47.89
CCC1=CC(NCC(CC(=O)[O-])C2CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013330714	1	49	0.0	-63.93	401.09	12.09	-51.84
O=C([O-])CC(CNC1=CC=[NH+]C2=CC=C(Br)C=C12)C1CC1	REAL300013330735	1	38	0.0	-60.76	322.35	9.08	-51.68
O=C([O-])CC(CNC1=CC=[NH+]C2=C(Br)C=CC=C12)C1CC1	REAL300013330742	1	38	0.0	-54.97	313.39	9.56	-45.41
CCOC1=CC2=[NH+]C=CC(NCC(CC(=O)[O-])C3CC3)=C2C=C1OCC	REAL300013330752	0	52	0.0	-59.86	403.19	9.55	-50.31
CCC1=CC(NCC(CC(=O)[O-])C2CC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013330754	1	46	0.0	-58.00	368.06	9.64	-48.36
COC1=CC2=[NH+]C=CC(NCC(CC(=O)[O-])C3CC3)=C2C=C1Br	REAL300013330791	0	42	0.0	-62.07	350.83	8.44	-53.63
CC1(C)CCCN(C2=CC=[NH+]C(NCC(CC(=O)[O-])C3CC3)=N2)C1	REAL300013330799	0	52	0.0	-58.02	385.32	11.47	-46.55
CC1=CC2=C(NCC(CC(=O)[O-])C3CC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013330804	0	51	0.0	-49.86	390.37	11.54	-38.32
CC1=CC(C(F)(F)F)=CC(NCC(CC(=O)[O-])C2CC2)=[NH+]1	REAL300013330807	0	38	0.0	-53.28	318.09	8.70	-44.58
O=C([O-])CC(CNC1=CC(NC2=CC=CC=C2)=NC=[NH+]1)C1CC1	REAL300013330809	1	43	0.0	-53.94	342.49	10.09	-43.85
O=C([O-])CC(CNC1=CC(NC2=CC=CC=C2)=[NH+]C=N1)C1CC1	REAL300013330809	1	43	0.0	-47.99	345.83	10.58	-37.41
COC1=CC2=[NH+]C=CC(NCC(CC(=O)[O-])C3CC3)=C2C=C1OC	REAL300013330812	0	46	0.0	-60.09	359.48	7.71	-52.38
O=C([O-])CC(CNC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C1CC1	REAL300013330840	0	47	0.0	-61.82	364.63	11.67	-50.15
CC1=CC=C2C(NCC(CC(=O)[O-])C3CC3)=CC(C)=[NH+]C2=C1Cl	REAL300013330866	0	44	0.0	-49.31	355.33	10.19	-39.12
CC1=NC(NCC(CC(=O)[O-])C2CC2)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013330868	0	46	0.0	-53.17	365.05	10.46	-42.71
CC1=[NH+]C(NCC(CC(=O)[O-])C2CC2)=CC(NC2=CC=CC=C2)=N1	REAL300013330868	1	46	0.0	-52.22	366.00	10.97	-41.25
CC1=[NH+]C=CC(NCC(CC(=O)[O-])C2CC2)=C1Br	REAL300013330871	0	35	0.0	-60.12	295.01	7.44	-52.68
CN(C1=CC=[NH+]C(NCC(CC(=O)[O-])C2CC2)=N1)C1CCCCC1	REAL300013330873	0	52	0.0	-57.28	380.58	13.02	-44.26
CC1=CC(N(C)C(C)C)=NC(NCC(CC(=O)[O-])C2CC2)=[NH+]1	REAL300013330874	0	48	0.0	-53.00	360.35	11.65	-41.35
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC(CC(=O)[O-])C2CC2)=[NH+]1	REAL300013330877	0	49	0.0	-56.09	387.69	12.47	-43.62
CC1=CC(N2C=CC=N2)=NC(NCC(CC(=O)[O-])C2CC2)=[NH+]1	REAL300013330878	1	41	0.0	-55.56	335.26	10.51	-45.05
CC1=CC(NCC(CC(=O)[O-])C2CC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013330881	0	48	0.0	-54.07	366.47	11.41	-42.66
CN(C1=[NH+]C=CC(NCC(CC(=O)[O-])C2CC2)=N1)C1CCCCC1	REAL300013330884	0	52	0.0	-47.82	388.63	12.76	-35.06
CC1=CC(NCC(CC(=O)[O-])C2CC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013330886	1	49	0.0	-56.23	388.28	13.36	-42.87
O=C([O-])CC(CNC1=C2C=CNC2=NC(C2CC2)=[NH+]1)C1CC1	REAL300013330928	0	42	0.0	-49.65	334.12	9.73	-39.92
O=C([O-])CC(CNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C1CC1	REAL300013330929	0	42	0.0	-59.10	346.97	8.26	-50.84
CN(C)C1=CC(NCC(CC(=O)[O-])C2CC2)=[NH+]C(N(C)C)=N1	REAL300013330933	0	47	0.0	-47.85	361.90	10.75	-37.10
CN(C)C1=CC(NCC(CC(=O)[O-])C2CC2)=NC(N(C)C)=[NH+]1	REAL300013330933	1	47	0.0	-52.75	358.93	10.82	-41.93
CC1=C(Cl)C2=[NH+]C=CC(NCC(CC(=O)[O-])C3CC3)=C2C=C1	REAL300013330940	1	41	0.0	-52.80	334.11	9.62	-43.18
C[NH+](C)CCCC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CCO1	REAL300013330947	0	44	0.0	-65.11	359.64	7.54	-57.57
C[NH+](C)CCCC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CCO1	REAL300013330948	0	47	0.0	-102.34	366.82	8.79	-93.55
CN1N=CC=C1C(O)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013330956	0	43	0.0	-53.24	334.97	5.49	-47.75
O=C([O-])C1=CC=CC(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)=N1	REAL300013330969	1	46	0.0	-77.93	346.04	7.63	-70.30
O=C([O-])C1=CC=CN=C1N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013330970	1	46	0.0	-57.50	340.75	8.20	-49.30
O=C([O-])C1=CN=C(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C(Cl)=C1	REAL300013330971	1	46	0.0	-67.45	360.52	8.49	-58.96
O=C([O-])C1=CC=CC(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)=N1	REAL300013330972	1	46	0.0	-77.93	346.04	7.63	-70.30
O=C([O-])C1=CC=CC(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)=N1	REAL300013330973	1	46	0.0	-77.93	346.04	7.63	-70.30
O=C([O-])C1=CC2=C(N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)N=CNC2=N1	REAL300013330974	1	49	0.0	-101.48	368.62	8.44	-93.04
NC(=O)C1=CC(F)=CC=C1N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013330978	0	42	0.0	-47.38	341.07	6.09	-41.29
COC1=NC(C)=CC(C)=C1CN(C)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013330984	0	41	0.0	-46.17	325.84	6.56	-39.61
O=C([O-])C1=CN=C(NC2CC[NH+](C3CCOC3)CC2)C(Cl)=C1	REAL300013330993	0	42	0.0	-69.93	336.89	7.12	-62.81
O=C([O-])C1=CC2=C(NC3CC[NH+](C4CCOC4)CC3)N=CNC2=N1	REAL300013330994	0	45	0.0	-107.70	350.10	7.48	-100.22
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013331003	0	41	0.0	-64.82	311.95	8.14	-56.68
CC1(C(=O)[O-])CCN(C2=CC(N3CCSCC3)=NC=[NH+]2)CC1	REAL300013331009	0	44	0.0	-63.51	331.90	8.46	-55.05
CC1(C(=O)[O-])CCN(C2=CC(N3CCSCC3)=[NH+]C=N2)CC1	REAL300013331009	1	44	0.0	-66.12	333.55	8.16	-57.96
CC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3)=[NH+]C=N2)CC1	REAL300013331021	0	46	0.0	-62.52	332.08	8.55	-53.97
CC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3)=NC=[NH+]2)CC1	REAL300013331021	1	46	0.0	-59.78	332.35	8.57	-51.21
CC1(C(=O)[O-])CCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CC1	REAL300013331022	0	50	0.0	-62.60	364.26	5.86	-56.74
CC1(C(=O)[O-])CCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CC1	REAL300013331022	1	50	0.0	-66.38	363.71	5.82	-60.56
CCCC1=[NH+]C2=CC=CC=C2C(N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013331023	0	47	0.0	-58.17	347.65	9.58	-48.59
COC1=CC2=NC(N3CCC(C)(C(=O)[O-])CC3)=[NH+]C(N)=C2C=C1OC	REAL300013331047	0	47	0.0	-62.47	355.26	6.90	-55.57
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)CC1	REAL300013331054	0	41	0.0	-67.98	322.62	8.51	-59.47
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)CC1	REAL300013331061	1	38	0.0	-69.32	300.67	8.02	-61.30
CC(C)(C)C1=[NH+]C(C(C)(C)C)=NC(N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013331063	1	55	0.0	-55.00	395.58	10.49	-44.51
CC1(C(=O)[O-])CCN(C2=CC(N3CCOCC3)=NC=[NH+]2)CC1	REAL300013331070	0	44	0.0	-62.32	323.66	6.12	-56.20
CC1(C(=O)[O-])CCN(C2=CC(N3CCOCC3)=[NH+]C=N2)CC1	REAL300013331070	1	44	0.0	-64.43	323.90	6.11	-58.32
CC1=CC(N2CCC(C)(C(=O)[O-])CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013331075	1	46	0.0	-70.93	365.53	10.65	-60.28
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC1	REAL300013331099	1	38	0.0	-67.65	307.50	8.52	-59.13
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)CC1	REAL300013331108	1	38	0.0	-67.96	312.06	8.62	-59.34
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCC(C)(C(=O)[O-])CC2)=C1C	REAL300013331134	0	44	0.0	-62.98	337.16	9.32	-53.66
CC1(C(=O)[O-])CCN(C2=CC(N3C=CC=N3)=NC(N)=[NH+]2)CC1	REAL300013331160	0	40	0.0	-59.59	312.02	7.75	-51.84
CC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N3CCOCC3)=N2)CC1	REAL300013331163	0	44	0.0	-63.32	325.51	6.64	-56.68
COC1=CC=CC2=C(N3CCC(C)(C(=O)[O-])CC3)C=C(C)[NH+]=C12	REAL300013331168	1	45	0.0	-56.47	333.07	7.50	-48.97
CCOC(=O)C1=C(N2CCC(C)(C(=O)[O-])CC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013331169	1	50	0.0	-74.05	379.93	8.38	-65.67
CCOC(=O)C1=C(N2CCC(C)(C(=O)[O-])CC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013331170	1	53	0.0	-68.21	389.24	11.04	-57.17
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013331182	1	47	0.0	-56.47	349.32	11.67	-44.80
CC(C)C1=NC(N(C)C)=NC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013331182	1	47	0.0	-50.61	350.98	11.71	-38.90
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C(N3CCCCC3)=N2)CC1	REAL300013331188	0	46	0.0	-63.60	334.41	9.10	-54.50
CCC1=C(N2CCC(C)(C(=O)[O-])CC2)C2=CC=CC=C2[NH+]=C1C	REAL300013331198	0	47	0.0	-60.15	336.35	9.42	-50.73
CC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)CC1	REAL300013331204	0	50	0.0	-61.54	362.97	5.67	-55.87
CC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)CC1	REAL300013331204	1	50	0.0	-64.36	364.89	5.33	-59.03
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013331209	0	43	0.0	-74.87	333.61	8.74	-66.13
CN1CCN(C2=CC(N3CCC(C)(C(=O)[O-])CC3)=[NH+]C=N2)CC1=O	REAL300013331219	0	47	0.0	-69.37	349.23	6.57	-62.80
CN1CCN(C2=CC(N3CCC(C)(C(=O)[O-])CC3)=NC=[NH+]2)CC1=O	REAL300013331219	1	47	0.0	-65.21	344.89	5.90	-59.31
CC(C)C1OCCCC1NC1=CC(N2CCC(C)(C(=O)[O-])CC2)=NC=[NH+]1	REAL300013331229	0	56	0.0	-63.42	402.81	9.46	-53.96
CC(C)C1OCCCC1NC1=CC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]C=N1	REAL300013331229	1	56	0.0	-59.21	400.84	9.32	-49.89
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)CC1	REAL300013331249	0	49	0.0	-69.79	372.54	10.34	-59.45
CC1(C(=O)[O-])CCN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)CC1	REAL300013331254	1	45	0.0	-52.93	351.57	10.43	-42.50
CCCCNC1=CC(N2CCC(C)(C(=O)[O-])CC2)=NC(N)=[NH+]1	REAL300013331261	0	47	0.0	-60.38	353.41	7.68	-52.70
CCCCNC1=CC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]C(N)=N1	REAL300013331261	1	47	0.0	-55.37	350.76	7.51	-47.86
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013331272	0	50	0.0	-58.66	379.66	8.00	-50.66
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013331272	1	50	0.0	-52.36	381.21	8.09	-44.27
CC(C)NC1=NC(NCCO)=NC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013331272	1	50	0.0	-51.49	380.32	8.06	-43.43
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013331285	0	52	0.0	-55.15	379.26	11.91	-43.24
CCNC1=NC(NC(C)(C)C)=NC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013331285	1	52	0.0	-50.74	382.16	12.31	-38.43
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013331285	1	52	0.0	-51.10	384.02	12.39	-38.71
CC(O)C1CCN(C2=CC(N3CCC(C)(C(=O)[O-])CC3)=[NH+]C=N2)C1	REAL300013331324	0	50	0.0	-61.49	366.11	5.82	-55.67
CC(O)C1CCN(C2=CC(N3CCC(C)(C(=O)[O-])CC3)=NC=[NH+]2)C1	REAL300013331324	1	50	0.0	-62.81	363.22	5.61	-57.20
CC1(C(=O)[O-])CCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CC1	REAL300013331326	1	41	0.0	-59.68	309.82	9.04	-50.64
CCCC1=CC2=C(N3CCC(C)(C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013331329	0	47	0.0	-65.03	348.30	9.71	-55.32
CC(C)OC1=CC2=C(N3CCC(C)(C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013331331	0	48	0.0	-69.72	353.12	8.36	-61.36
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)CC1	REAL300013331447	1	38	0.0	-69.31	305.23	8.12	-61.19
CCOC1=CC2=[NH+]C=CC(N3CCC(C)(C(=O)[O-])CC3)=C2C=C1OCC	REAL300013331464	0	52	0.0	-67.33	386.11	8.60	-58.73
CCC1=CC(N2CCC(C)(C(=O)[O-])CC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013331466	1	46	0.0	-62.47	353.97	8.93	-53.54
COC1=CC2=[NH+]C=CC(N3CCC(C)(C(=O)[O-])CC3)=C2C=C1Br	REAL300013331503	0	42	0.0	-70.26	333.75	7.49	-62.77
CC1(C)CCCN(C2=CC=[NH+]C(N3CCC(C)(C(=O)[O-])CC3)=N2)C1	REAL300013331511	0	52	0.0	-61.27	371.65	10.47	-50.80
CC1=CC2=C(N3CCC(C)(C(=O)[O-])CC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013331516	0	51	0.0	-58.40	367.32	10.76	-47.64
CC1=CC(C(F)(F)F)=CC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013331519	0	38	0.0	-60.50	301.38	7.85	-52.65
CC1(C(=O)[O-])CCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CC1	REAL300013331521	1	43	0.0	-61.75	329.07	9.91	-51.84
COC1=CC2=[NH+]C=CC(N3CCC(C)(C(=O)[O-])CC3)=C2C=C1OC	REAL300013331524	0	46	0.0	-67.45	342.40	6.76	-60.69
CC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CC1	REAL300013331552	0	47	0.0	-64.09	357.28	10.24	-53.85
CC1=CC=C2C(N3CCC(C)(C(=O)[O-])CC3)=CC(C)=[NH+]C2=C1Cl	REAL300013331578	0	44	0.0	-56.66	344.60	9.72	-46.94
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013331580	0	46	0.0	-57.76	350.94	9.84	-47.92
CC1=NC(NC2=CC=CC=C2)=CC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013331580	1	46	0.0	-55.32	347.79	9.19	-46.13
CC1=[NH+]C=CC(N2CCC(C)(C(=O)[O-])CC2)=C1Br	REAL300013331583	0	35	0.0	-69.84	284.15	6.91	-62.93
CN(C1=CC=[NH+]C(N2CCC(C)(C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013331585	0	52	0.0	-59.15	372.65	11.54	-47.61
CC1=CC(N(C)C(C)C)=NC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013331586	0	48	0.0	-54.79	352.84	10.25	-44.54
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013331589	0	49	0.0	-58.62	373.70	11.45	-47.17
CC1=CC(N2C=CC=N2)=NC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]1	REAL300013331590	1	41	0.0	-57.14	321.11	9.50	-47.64
CC1=CC(N2CCC(C)(C(=O)[O-])CC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013331593	0	48	0.0	-58.38	352.37	10.73	-47.65
CN(C1=[NH+]C=CC(N2CCC(C)(C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013331596	0	52	0.0	-63.65	372.19	12.01	-51.64
CC1=CC(N2CCC(C)(C(=O)[O-])CC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013331598	1	49	0.0	-60.30	374.24	12.69	-47.61
CC1(C(=O)[O-])CCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)CC1	REAL300013331640	0	42	0.0	-52.54	312.20	8.24	-44.30
CC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)CC1	REAL300013331641	0	42	0.0	-69.57	336.70	7.82	-61.75
CN(C)C1=CC(N2CCC(C)(C(=O)[O-])CC2)=NC(N(C)C)=[NH+]1	REAL300013331645	1	47	0.0	-56.79	343.56	10.17	-46.62
CN(C)C1=CC(N2CCC(C)(C(=O)[O-])CC2)=[NH+]C(N(C)C)=N1	REAL300013331645	1	47	0.0	-52.18	345.04	9.82	-42.36
CC1=C(Cl)C2=[NH+]C=CC(N3CCC(C)(C(=O)[O-])CC3)=C2C=C1	REAL300013331652	1	41	0.0	-59.99	317.02	8.67	-51.32
CCC1=NOC(CC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013331654	0	43	0.0	-52.19	343.37	7.69	-44.50
CN1N=CC=C1CC1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013331666	0	42	0.0	-51.98	329.08	8.75	-43.23
COC(=O)C1=CN=C(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)S1	REAL300013331713	0	41	0.0	-50.45	352.68	8.49	-41.96
O=C([O-])C1=CC=CC(NCC2C[N@H+](CC3=CC=CC=C3)CC23CCC3)=N1	REAL300013331722	0	51	0.0	-79.61	392.85	11.23	-68.38
O=C([O-])C1=CC=CC(NCC2C[N@@H+](CC3=CC=CC=C3)CC23CCC3)=N1	REAL300013331722	1	51	0.0	-80.86	393.65	11.41	-69.45
O=C([O-])C1=CC=CN=C1NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300013331723	0	51	0.0	-61.44	388.95	11.78	-49.66
O=C([O-])C1=CC=CN=C1NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300013331723	1	51	0.0	-60.44	390.29	11.84	-48.60
O=C([O-])C1=CN=C(NCC2C[N@H+](CC3=CC=CC=C3)CC23CCC3)C(Cl)=C1	REAL300013331724	0	51	0.0	-71.29	409.70	12.17	-59.12
O=C([O-])C1=CN=C(NCC2C[N@@H+](CC3=CC=CC=C3)CC23CCC3)C(Cl)=C1	REAL300013331724	1	51	0.0	-72.69	408.23	12.18	-60.51
O=C([O-])C1=CC=CC(NCC2C[N@H+](CC3=CC=CC=C3)CC23CCC3)=N1	REAL300013331725	0	51	0.0	-79.61	392.85	11.23	-68.38
O=C([O-])C1=CC=CC(NCC2C[N@@H+](CC3=CC=CC=C3)CC23CCC3)=N1	REAL300013331725	1	51	0.0	-80.86	393.65	11.41	-69.45
O=C([O-])C1=CC=CC(NCC2C[N@H+](CC3=CC=CC=C3)CC23CCC3)=N1	REAL300013331726	0	51	0.0	-79.61	392.85	11.23	-68.38
O=C([O-])C1=CC=CC(NCC2C[N@@H+](CC3=CC=CC=C3)CC23CCC3)=N1	REAL300013331726	1	51	0.0	-80.86	393.65	11.41	-69.45
O=C([O-])C1=CC2=C(NCC3C[N@H+](CC4=CC=CC=C4)CC34CCC4)N=CNC2=N1	REAL300013331727	0	54	0.0	-105.48	422.42	12.62	-92.86
O=C([O-])C1=CC2=C(NCC3C[N@@H+](CC4=CC=CC=C4)CC34CCC4)N=CNC2=N1	REAL300013331727	1	54	0.0	-105.31	422.76	12.64	-92.67
CCC(CC)C(=O)N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013331738	0	45	0.0	-51.04	343.67	8.43	-42.61
CC1=CC=[NH+]C(NC[C@H](CC(=O)[O-])CC(C)C)=C1Br	REAL300013331755	1	40	0.0	-43.14	317.53	8.97	-34.17
CC1=[NH+]C2=CC=C(F)C=C2C(NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300013331756	0	46	0.0	-45.15	351.23	9.47	-35.68
CC(C)C[C@H](CNC1=CC(N2CCSCC2)=NC=[NH+]1)CC(=O)[O-]	REAL300013331763	0	49	0.0	-45.62	370.59	9.64	-35.98
CC(C)C[C@H](CNC1=CC(N2CCSCC2)=[NH+]C=N1)CC(=O)[O-]	REAL300013331763	1	49	0.0	-50.25	369.64	9.20	-41.05
CC(C)C[C@H](CNC1=CC(NCC2CC2)=NC=[NH+]1)CC(=O)[O-]	REAL300013331772	0	48	0.0	-45.13	363.25	9.37	-35.76
CC(C)C[C@H](CNC1=CC(NCC2CC2)=[NH+]C=N1)CC(=O)[O-]	REAL300013331772	1	48	0.0	-48.53	363.54	9.37	-39.16
CC(C)C[C@H](CNC1=CC(N2CCCC2)=NC=[NH+]1)CC(=O)[O-]	REAL300013331783	0	48	0.0	-47.08	354.17	9.01	-38.07
CC(C)C[C@H](CNC1=CC(N2CCCC2)=[NH+]C=N1)CC(=O)[O-]	REAL300013331783	1	48	0.0	-47.94	353.65	8.65	-39.29
CC(C)C[C@H](CNC1=CC(N2CCCCC2)=NC=[NH+]1)CC(=O)[O-]	REAL300013331784	0	51	0.0	-44.80	371.04	9.76	-35.04
CC(C)C[C@H](CNC1=CC(N2CCCCC2)=[NH+]C=N1)CC(=O)[O-]	REAL300013331784	1	51	0.0	-46.64	368.53	9.57	-37.07
CC(C)C[C@H](CNC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)CC(=O)[O-]	REAL300013331785	0	55	0.0	-57.21	408.49	7.21	-50.00
CC(C)C[C@H](CNC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)CC(=O)[O-]	REAL300013331785	1	55	0.0	-48.85	400.57	6.87	-41.98
CCCC1=[NH+]C2=CC=CC=C2C(NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300013331786	0	52	0.0	-43.38	387.50	10.93	-32.45
COC1=CC=C(NC2=CC(NC[C@H](CC(=O)[O-])CC(C)C)=[NH+]C=N2)C(OC)=C1	REAL300013331789	1	56	0.0	-48.81	425.29	9.98	-38.83
COC1=CC2=NC(NC[C@H](CC(=O)[O-])CC(C)C)=[NH+]C(N)=C2C=C1OC	REAL300013331816	0	52	0.0	-63.43	397.10	8.41	-55.02
CC(C)C[C@H](CNC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)CC(=O)[O-]	REAL300013331829	0	46	0.0	-60.81	367.84	10.00	-50.81
CC(C)C[C@H](CNC1=CC=[NH+]C2=CC=C(Cl)C=C12)CC(=O)[O-]	REAL300013331842	1	43	0.0	-49.38	339.98	9.35	-40.03
CC(C)C[C@H](CNC1=CC(C(F)(F)F)=CC=[NH+]1)CC(=O)[O-]	REAL300013331845	1	40	0.0	-50.92	318.96	8.47	-42.45
CC(C)C[C@H](CNC1=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N1)CC(=O)[O-]	REAL300013331846	1	60	0.0	-52.46	437.39	11.72	-40.74
CC(C)C[C@H](CNC1=CC(N2CCOCC2)=NC=[NH+]1)CC(=O)[O-]	REAL300013331854	0	49	0.0	-45.39	362.36	7.29	-38.10
CC(C)C[C@H](CNC1=CC(N2CCOCC2)=[NH+]C=N1)CC(=O)[O-]	REAL300013331854	1	49	0.0	-47.89	360.00	7.18	-40.71
CC1=CC(NC[C@H](CC(=O)[O-])CC(C)C)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013331861	1	51	0.0	-67.23	407.43	11.90	-55.33
CC1=CC2=[NH+]C(NC[C@H](CC(=O)[O-])CC(C)C)=CC(C)=C2C=C1	REAL300013331874	1	49	0.0	-39.70	365.19	10.80	-28.90
CC(C)C[C@H](CNC1=CC=[NH+]C2=CC(Cl)=CC=C12)CC(=O)[O-]	REAL300013331892	1	43	0.0	-58.43	345.65	9.52	-48.91
CC(C)C[C@H](CNC1=CC=[NH+]C2=CC(Br)=CC=C12)CC(=O)[O-]	REAL300013331905	1	43	0.0	-58.65	350.21	9.63	-49.02
CC1=[NH+]C2=CC=C(Br)C=C2C(NC[C@H](CC(=O)[O-])CC(C)C)=C1C	REAL300013331936	0	49	0.0	-48.47	384.20	10.62	-37.85
CC1=C(NC[C@H](CC(=O)[O-])CC(C)C)C2=CC=CC=C2[NH+]=C1	REAL300013331949	0	46	0.0	-49.34	347.24	9.49	-39.85
CC(C)C[C@H](CNC1=CC(NCC(C)O)=NC=[NH+]1)CC(=O)[O-]	REAL300013331959	0	48	0.0	-45.89	364.16	5.24	-40.65
CC(C)C[C@H](CNC1=CC(NCC(C)O)=[NH+]C=N1)CC(=O)[O-]	REAL300013331959	1	48	0.0	-48.32	364.14	5.32	-43.00
CC(C)C[C@H](CNC1=CC(N2C=CC=N2)=NC(N)=[NH+]1)CC(=O)[O-]	REAL300013331969	0	45	0.0	-47.89	351.21	8.95	-38.94
CC(C)C[C@H](CNC1=[NH+]C=CC(N2CCOCC2)=N1)CC(=O)[O-]	REAL300013331974	0	49	0.0	-45.01	362.38	8.06	-36.95
COC1=CC=CC2=C(NC[C@H](CC(=O)[O-])CC(C)C)C=C(C)[NH+]=C12	REAL300013331979	1	50	0.0	-50.94	378.59	9.01	-41.93
CCOC(=O)C1=C(NC[C@H](CC(=O)[O-])CC(C)C)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013331980	1	58	0.0	-64.97	440.06	12.18	-52.79
CCC1=[NH+]C2=CC=CC=C2C(NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300013331991	0	49	0.0	-43.00	365.92	10.13	-32.87
CC(C)C[C@H](CNC1=CC(C(F)(F)F)=CC=[NH+]1)CC(=O)[O-]	REAL300013331995	1	40	0.0	-50.92	318.96	8.47	-42.45
CC(C)C[C@H](CNC1=[NH+]C(C(C)C)=NC(N(C)C)=N1)CC(=O)[O-]	REAL300013332005	1	52	0.0	-36.11	387.08	13.18	-22.93
CC(C)C[C@H](CNC1=NC(C(C)C)=[NH+]C(N(C)C)=N1)CC(=O)[O-]	REAL300013332005	1	52	0.0	-45.79	386.33	13.11	-32.68
CC(C)C[C@H](CNC1=CC=[NH+]C(N2CCCCC2)=N1)CC(=O)[O-]	REAL300013332011	0	51	0.0	-45.95	370.89	10.13	-35.82
CCC1=C(NC[C@H](CC(=O)[O-])CC(C)C)C2=CC=CC=C2[NH+]=C1C	REAL300013332024	0	52	0.0	-47.16	387.76	10.93	-36.23
CC1=CC2=CC=CC=C2C(NC[C@H](CC(=O)[O-])CC(C)C)=[NH+]1	REAL300013332026	0	46	0.0	-37.75	344.61	10.60	-27.15
CC(C)C[C@H](CNC1=CC(N2CCCCC2CO)=NC=[NH+]1)CC(=O)[O-]	REAL300013332032	0	55	0.0	-57.03	405.91	6.37	-50.66
CC(C)C[C@H](CNC1=CC(N2CCCCC2CO)=[NH+]C=N1)CC(=O)[O-]	REAL300013332032	1	55	0.0	-58.77	406.77	6.61	-52.16
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300013332036	0	48	0.0	-51.05	372.87	10.07	-40.98
CC1=[NH+]C2=CC=CC=C2C(NC[C@H](CC(=O)[O-])CC(C)C)=C1C	REAL300013332042	0	49	0.0	-46.42	369.52	10.23	-36.19
CC1=C2[NH+]=CC(C)=C(NC[C@H](CC(=O)[O-])CC(C)C)C2=CC=C1	REAL300013332049	0	49	0.0	-57.91	363.23	10.21	-47.70
CC(C)C[C@H](CNC1=CC=[NH+]C=C1Br)CC(=O)[O-]	REAL300013332051	1	37	0.0	-63.37	304.73	7.50	-55.87
CC(C)C[C@H](CNC1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1)CC(=O)[O-]	REAL300013332052	0	52	0.0	-54.56	387.66	7.75	-46.81
CC(C)C[C@H](CNC1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1)CC(=O)[O-]	REAL300013332052	1	52	0.0	-62.37	385.64	7.09	-55.28
CC(C)C[C@H](CNC1=CC(NC2CCCOC2C(C)C)=NC=[NH+]1)CC(=O)[O-]	REAL300013332063	0	61	0.0	-54.71	445.53	10.50	-44.21
CC(C)C[C@H](CNC1=CC(NC2CCCOC2C(C)C)=[NH+]C=N1)CC(=O)[O-]	REAL300013332063	1	61	0.0	-46.94	439.64	10.54	-36.40
CCOC(=O)C1=C[NH+]=CC=C1NC[C@H](CC(=O)[O-])CC(C)C	REAL300013332065	1	46	0.0	-58.36	357.35	8.60	-49.76
COC1=CC=CC2=C(NC[C@H](CC(=O)[O-])CC(C)C)C(C)=C[NH+]=C12	REAL300013332074	1	50	0.0	-44.21	365.68	8.58	-35.63
CC(C)C[C@H](CNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)CC(=O)[O-]	REAL300013332087	0	54	0.0	-49.51	413.17	11.74	-37.77
CCCCNC1=CC(NC[C@H](CC(=O)[O-])CC(C)C)=NC(N)=[NH+]1	REAL300013332102	0	52	0.0	-45.40	390.00	8.76	-36.64
CCCCNC1=CC(NC[C@H](CC(=O)[O-])CC(C)C)=[NH+]C(N)=N1	REAL300013332102	1	52	0.0	-41.19	389.64	8.70	-32.49
CC(C)C[C@H](CNC1=CC=[NH+]C=C1Br)CC(=O)[O-]	REAL300013332110	1	37	0.0	-63.37	304.73	7.50	-55.87
CC(C)C[C@H](CNC1=[NH+]C(NCCO)=NC(NC(C)C)=N1)CC(=O)[O-]	REAL300013332115	0	55	0.0	-38.75	417.58	9.53	-29.22
CC(C)C[C@H](CNC1=NC(NCCO)=NC(NC(C)C)=[NH+]1)CC(=O)[O-]	REAL300013332115	1	55	0.0	-37.13	416.88	9.51	-27.62
CC(C)C[C@H](CNC1=NC(NCCO)=[NH+]C(NC(C)C)=N1)CC(=O)[O-]	REAL300013332115	1	55	0.0	-47.33	416.67	9.48	-37.85
CC(C)C[C@H](CNC1=CC(C(F)(F)F)=CC=[NH+]1)CC(=O)[O-]	REAL300013332125	1	40	0.0	-50.92	318.96	8.47	-42.45
CCNC1=[NH+]C(NC[C@H](CC(=O)[O-])CC(C)C)=NC(NC(C)(C)C)=N1	REAL300013332130	0	57	0.0	-36.08	418.77	13.76	-22.32
CCNC1=NC(NC[C@H](CC(=O)[O-])CC(C)C)=NC(NC(C)(C)C)=[NH+]1	REAL300013332130	1	57	0.0	-46.12	420.17	13.81	-32.31
CCNC1=NC(NC[C@H](CC(=O)[O-])CC(C)C)=[NH+]C(NC(C)(C)C)=N1	REAL300013332130	1	57	0.0	-36.51	420.60	13.83	-22.68
CC(C)C[C@H](CNC1=CC(N(C)C2=CC=CC=C2)=NC=[NH+]1)CC(=O)[O-]	REAL300013332152	1	51	0.0	-48.06	388.48	11.51	-36.55
CC(C)C[C@H](CNC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12)CC(=O)[O-]	REAL300013332177	1	43	0.0	-49.37	345.68	9.38	-39.99
CC(C)C[C@H](CNC1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1)CC(=O)[O-]	REAL300013332178	0	55	0.0	-46.16	400.12	7.38	-38.78
CC(C)C[C@H](CNC1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1)CC(=O)[O-]	REAL300013332178	1	55	0.0	-59.74	406.49	6.82	-52.92
CC(C)C[C@H](CNC1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2)CC(=O)[O-]	REAL300013332180	1	46	0.0	-44.21	354.67	10.89	-33.32
CCCC1=CC2=C(NC[C@H](CC(=O)[O-])CC(C)C)C=C[NH+]=C2C=C1	REAL300013332184	0	52	0.0	-46.28	387.53	11.02	-35.26
CCC1=CC2=C(NC[C@H](CC(=O)[O-])CC(C)C)C=C[NH+]=C2C=C1	REAL300013332185	0	49	0.0	-46.28	366.03	10.24	-36.04
CC(C)C[C@H](CNC1=CC=[NH+]C2=CC=C(OC(C)C)C=C12)CC(=O)[O-]	REAL300013332188	0	53	0.0	-49.87	392.57	9.67	-40.20
CC1=CC(NC[C@H](CC(=O)[O-])CC(C)C)=[NH+]C2=CC=CC=C12	REAL300013332224	1	46	0.0	-40.28	343.85	10.15	-30.13
CC1=[NH+]C2=CC=CC=C2C(NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300013332249	0	46	0.0	-43.49	344.49	9.39	-34.10
CC1=CC(NC[C@H](CC(=O)[O-])CC(C)C)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013332292	1	48	0.0	-58.42	374.24	9.43	-48.99
CCC1=CC(NC[C@H](CC(=O)[O-])CC(C)C)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013332294	1	54	0.0	-50.43	423.57	12.47	-37.96
CC(C)C[C@H](CNC1=CC=[NH+]C2=CC=C(Br)C=C12)CC(=O)[O-]	REAL300013332317	1	43	0.0	-49.32	344.54	9.46	-39.86
CC(C)C[C@H](CNC1=CC=[NH+]C2=C(Br)C=CC=C12)CC(=O)[O-]	REAL300013332323	1	43	0.0	-42.47	341.80	9.52	-32.95
CCOC1=CC2=[NH+]C=CC(NC[C@H](CC(=O)[O-])CC(C)C)=C2C=C1OCC	REAL300013332337	0	57	0.0	-49.11	425.28	9.90	-39.21
CCC1=CC(NC[C@H](CC(=O)[O-])CC(C)C)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013332339	1	51	0.0	-44.75	390.48	9.99	-34.76
CC(C)C[C@H](CNC1=[NH+]C=CC(N2CCCC2)=N1)CC(=O)[O-]	REAL300013332351	0	48	0.0	-59.28	359.11	9.90	-49.38
CC(C)C[C@H](CNC1=CC=[NH+]C2=CC(F)=CC=C12)CC(=O)[O-]	REAL300013332372	0	43	0.0	-58.78	335.36	9.09	-49.69
COC1=CC2=[NH+]C=CC(NC[C@H](CC(=O)[O-])CC(C)C)=C2C=C1Br	REAL300013332386	0	47	0.0	-49.60	372.93	8.79	-40.81
CC(C)C[C@H](CNC1=[NH+]C=CC2=CC(F)=CC=C21)CC(=O)[O-]	REAL300013332389	1	43	0.0	-42.40	329.52	10.12	-32.28
CC1=CC2=C(NC[C@H](CC(=O)[O-])CC(C)C)[NH+]=CC=C2C=C1	REAL300013332390	1	46	0.0	-39.24	344.69	10.69	-28.55
CC1=CC=CC2=C(NC[C@H](CC(=O)[O-])CC(C)C)[NH+]=CC=C12	REAL300013332391	1	46	0.0	-53.50	346.75	10.78	-42.72
CC(C)C[C@H](CNC1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)CC(=O)[O-]	REAL300013332399	0	57	0.0	-42.56	407.72	11.86	-30.70
CC1=CC2=C(NC[C@H](CC(=O)[O-])CC(C)C)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013332404	0	56	0.0	-48.50	418.54	12.19	-36.31
CC1=CC(C(F)(F)F)=CC(NC[C@H](CC(=O)[O-])CC(C)C)=[NH+]1	REAL300013332407	0	43	0.0	-53.94	346.29	9.27	-44.67
CC(C)C[C@H](CNC1=CC(NC2=CC=CC=C2)=NC=[NH+]1)CC(=O)[O-]	REAL300013332409	1	48	0.0	-46.58	364.43	10.43	-36.15
CC(C)C[C@H](CNC1=CC(NC2=CC=CC=C2)=[NH+]C=N1)CC(=O)[O-]	REAL300013332409	1	48	0.0	-45.98	367.40	10.77	-35.21
COC1=CC2=[NH+]C=CC(NC[C@H](CC(=O)[O-])CC(C)C)=C2C=C1OC	REAL300013332413	0	51	0.0	-49.81	381.67	8.09	-41.72
CC(C)C[C@H](CNC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)CC(=O)[O-]	REAL300013332451	0	52	0.0	-43.61	393.36	11.65	-31.96
CC1=CC=C2C(NC[C@H](CC(=O)[O-])CC(C)C)=CC(C)=[NH+]C2=C1Cl	REAL300013332481	0	49	0.0	-39.79	377.50	10.55	-29.24
CC1=NC(NC[C@H](CC(=O)[O-])CC(C)C)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013332483	0	51	0.0	-56.54	392.21	10.58	-45.96
CC1=[NH+]C(NC[C@H](CC(=O)[O-])CC(C)C)=CC(NC2=CC=CC=C2)=N1	REAL300013332483	1	51	0.0	-43.45	388.80	11.20	-32.25
CC1=[NH+]C=CC(NC[C@H](CC(=O)[O-])CC(C)C)=C1Br	REAL300013332486	0	40	0.0	-61.89	322.82	7.98	-53.91
CC(C)C[C@H](CNC1=[NH+]C=CC(N(C)C2CCCCC2)=N1)CC(=O)[O-]	REAL300013332488	0	57	0.0	-42.74	408.80	12.95	-29.79
CC1=CC(N(C)C(C)C)=NC(NC[C@H](CC(=O)[O-])CC(C)C)=[NH+]1	REAL300013332489	0	53	0.0	-54.12	394.08	11.83	-42.29
CC(C)C[C@H](CNC1=[NH+]C=CC(N2C=CN=C2)=N1)CC(=O)[O-]	REAL300013332490	1	43	0.0	-70.33	338.91	11.67	-58.66
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC[C@H](CC(=O)[O-])CC(C)C)=[NH+]1	REAL300013332493	0	54	0.0	-53.09	416.81	13.86	-39.23
CC1=CC(N2C=CC=N2)=NC(NC[C@H](CC(=O)[O-])CC(C)C)=[NH+]1	REAL300013332494	1	46	0.0	-40.42	357.66	10.88	-29.54
CC1=CC(NC[C@H](CC(=O)[O-])CC(C)C)=NC(N(C)C(C)C)=[NH+]1	REAL300013332497	0	53	0.0	-43.47	388.98	11.78	-31.69
CC(C)C[C@H](CNC1=CC=[NH+]C(N(C)C2CCCCC2)=N1)CC(=O)[O-]	REAL300013332500	0	57	0.0	-59.47	414.46	13.27	-46.20
CC1=CC(NC[C@H](CC(=O)[O-])CC(C)C)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013332502	1	54	0.0	-45.10	410.99	13.68	-31.42
CC1=CC=CC2=CC=[NH+]C(NC[C@H](CC(=O)[O-])CC(C)C)=C12	REAL300013332525	0	46	0.0	-41.68	340.73	11.12	-30.56
CC(C)C[C@H](CNC1=C2C=CNC2=NC(C2CC2)=[NH+]1)CC(=O)[O-]	REAL300013332550	0	47	0.0	-39.12	356.38	10.10	-29.02
CC(C)C[C@H](CNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)CC(=O)[O-]	REAL300013332551	0	47	0.0	-46.03	369.41	8.63	-37.40
CC(C)C[C@H](CNC1=CC(N(C)C)=NC(N(C)C)=[NH+]1)CC(=O)[O-]	REAL300013332556	0	52	0.0	-40.19	382.61	11.29	-28.90
CC(C)C[C@H](CNC1=CC(N(C)C)=[NH+]C(N(C)C)=N1)CC(=O)[O-]	REAL300013332556	1	52	0.0	-54.41	387.35	11.27	-43.14
CC1=C(Cl)C2=[NH+]C=CC(NC[C@H](CC(=O)[O-])CC(C)C)=C2C=C1	REAL300013332564	1	46	0.0	-42.89	356.31	9.99	-32.90
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013332637	0	48	0.0	-82.76	367.16	8.33	-74.43
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013332637	1	48	0.0	-79.01	371.33	8.49	-70.52
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1=NC=CC=C1C(=O)[O-]	REAL300013332638	0	48	0.0	-55.08	368.41	8.06	-47.02
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=NC=CC=C1C(=O)[O-]	REAL300013332638	1	48	0.0	-60.44	372.76	7.76	-52.68
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013332639	0	48	0.0	-64.13	388.78	8.38	-55.75
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013332639	1	48	0.0	-66.42	384.94	7.71	-58.71
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013332640	0	48	0.0	-82.76	367.16	8.33	-74.43
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013332640	1	48	0.0	-79.01	371.33	8.49	-70.52
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013332641	0	48	0.0	-82.76	367.16	8.33	-74.43
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013332641	1	48	0.0	-79.01	371.33	8.49	-70.52
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013332642	0	51	0.0	-102.18	398.17	9.13	-93.05
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013332642	1	51	0.0	-102.18	398.04	9.00	-93.18
CC1=[NH+]C2=CC=C(F)C=C2C(NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013332656	0	38	0.0	-48.31	316.22	9.24	-39.07
O=C([O-])C1=CC=CC=C1CNC1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013332662	0	41	0.0	-46.15	335.63	9.40	-36.75
O=C([O-])C1=CC=CC=C1CNC1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013332662	1	41	0.0	-50.82	334.60	8.99	-41.83
O=C([O-])C1=CC=CC=C1CNC1=CC(N2CCCCC2)=NC=[NH+]1	REAL300013332679	0	43	0.0	-44.32	336.28	9.52	-34.80
O=C([O-])C1=CC=CC=C1CNC1=CC(N2CCCCC2)=[NH+]C=N1	REAL300013332679	1	43	0.0	-50.10	333.91	9.37	-40.73
O=C([O-])C1=CC=CC=C1CNC1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013332680	0	47	0.0	-47.15	367.92	6.80	-40.35
O=C([O-])C1=CC=CC=C1CNC1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013332680	1	47	0.0	-50.69	365.53	6.65	-44.04
CCCC1=[NH+]C2=CC=CC=C2C(NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013332681	0	44	0.0	-43.59	352.75	10.69	-32.90
COC1=CC2=NC(NCC3=CC=CC=C3C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013332710	0	44	0.0	-50.10	356.82	8.05	-42.05
O=C([O-])C1=CC=CC=C1CNC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12	REAL300013332719	0	38	0.0	-48.76	327.42	9.59	-39.17
O=C([O-])C1=CC=CC=C1CNC1=CC=[NH+]C2=CC=C(Cl)C=C12	REAL300013332728	1	35	0.0	-50.78	305.23	9.11	-41.67
O=C([O-])C1=CC=CC=C1CNC1=CC(N2CCOCC2)=NC=[NH+]1	REAL300013332737	0	41	0.0	-45.64	327.39	7.06	-38.58
O=C([O-])C1=CC=CC=C1CNC1=CC(N2CCOCC2)=[NH+]C=N1	REAL300013332737	1	41	0.0	-51.31	324.94	6.91	-44.40
CC1=CC2=[NH+]C(NCC3=CC=CC=C3C(=O)[O-])=CC(C)=C2C=C1	REAL300013332754	1	41	0.0	-39.09	330.41	10.56	-28.53
O=C([O-])C1=CC=CC=C1CNC1=CC=[NH+]C2=CC(Cl)=CC=C12	REAL300013332772	1	35	0.0	-47.30	305.22	9.10	-38.20
O=C([O-])C1=CC=CC=C1CNC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013332781	1	35	0.0	-47.36	309.78	9.20	-38.16
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC2=CC=CC=C2C(=O)[O-])=C1C	REAL300013332810	0	41	0.0	-58.25	341.06	10.04	-48.21
NC1=[NH+]C(NCC2=CC=CC=C2C(=O)[O-])=CC(N2C=CC=N2)=N1	REAL300013332838	1	37	0.0	-45.11	316.20	8.73	-36.38
O=C([O-])C1=CC=CC=C1CNC1=[NH+]C=CC(N2CCOCC2)=N1	REAL300013332841	0	41	0.0	-48.47	327.30	7.81	-40.66
COC1=CC=CC2=C(NCC3=CC=CC=C3C(=O)[O-])C=C(C)[NH+]=C12	REAL300013332846	1	42	0.0	-42.12	338.16	8.59	-33.53
CCOC(=O)C1=C(NCC2=CC=CC=C2C(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013332847	1	47	0.0	-68.97	383.60	8.65	-60.32
CCOC(=O)C1=C(NCC2=CC=CC=C2C(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013332848	1	50	0.0	-63.58	390.05	11.71	-51.87
CCC1=[NH+]C2=CC=CC=C2C(NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013332855	0	41	0.0	-43.69	331.25	9.91	-33.78
CC(C)C1=[NH+]C(NCC2=CC=CC=C2C(=O)[O-])=NC(N(C)C)=N1	REAL300013332865	1	44	0.0	-39.30	352.00	12.96	-26.34
CC(C)C1=NC(NCC2=CC=CC=C2C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013332865	1	44	0.0	-47.20	352.06	12.88	-34.32
O=C([O-])C1=CC=CC=C1CNC1=CC=[NH+]C(N2CCCCC2)=N1	REAL300013332871	0	43	0.0	-49.57	336.22	9.92	-39.65
CCC1=C(NCC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2[NH+]=C1C	REAL300013332882	0	44	0.0	-53.19	337.86	10.09	-43.10
O=C([O-])C1=CC=CC=C1CNC1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013332889	0	47	0.0	-45.57	366.19	5.97	-39.60
O=C([O-])C1=CC=CC=C1CNC1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013332889	1	47	0.0	-50.41	366.96	6.17	-44.24
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013332893	0	40	0.0	-55.03	337.87	9.84	-45.19
CC1=[NH+]C2=CC=CC=C2C(NCC2=CC=CC=C2C(=O)[O-])=C1C	REAL300013332898	0	41	0.0	-54.86	318.85	9.43	-45.43
CC1=C2[NH+]=CC(C)=C(NCC3=CC=CC=C3C(=O)[O-])C2=CC=C1	REAL300013332905	0	41	0.0	-57.45	321.24	9.71	-47.74
O=C([O-])C1=CC=CC=C1CNC1=CC=[NH+]C=C1Br	REAL300013332907	1	29	0.0	-52.76	264.31	7.08	-45.68
CN1CCN(C2=CC(NCC3=CC=CC=C3C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013332908	0	44	0.0	-51.03	352.89	7.52	-43.51
CN1CCN(C2=CC(NCC3=CC=CC=C3C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013332908	1	44	0.0	-47.71	345.97	6.70	-41.01
CCOC(=O)C1=C[NH+]=CC=C1NCC1=CC=CC=C1C(=O)[O-]	REAL300013332922	1	38	0.0	-61.30	317.19	8.19	-53.11
COC1=CC=CC2=C(NCC3=CC=CC=C3C(=O)[O-])C(C)=C[NH+]=C12	REAL300013332931	1	42	0.0	-47.23	327.85	8.23	-39.00
O=C([O-])C1=CC=CC=C1CNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013332941	0	46	0.0	-53.72	377.29	11.44	-42.28
O=C([O-])C1=CC=CC=C1CNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013332948	1	42	0.0	-38.77	356.68	11.54	-27.23
CCCCNC1=CC(NCC2=CC=CC=C2C(=O)[O-])=NC(N)=[NH+]1	REAL300013332957	0	44	0.0	-47.88	354.97	8.49	-39.39
CCCCNC1=CC(NCC2=CC=CC=C2C(=O)[O-])=[NH+]C(N)=N1	REAL300013332957	1	44	0.0	-40.43	354.97	8.49	-31.94
O=C([O-])C1=CC=CC=C1CNC1=CC=[NH+]C=C1Br	REAL300013332965	1	29	0.0	-52.76	264.31	7.08	-45.68
CC(C)NC1=[NH+]C(NCCO)=NC(NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013332970	0	47	0.0	-49.75	381.86	9.23	-40.52
CC(C)NC1=NC(NCCO)=[NH+]C(NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013332970	1	47	0.0	-39.58	382.49	9.27	-30.31
CC(C)NC1=NC(NCCO)=NC(NCC2=CC=CC=C2C(=O)[O-])=[NH+]1	REAL300013332970	1	47	0.0	-40.60	381.80	9.24	-31.36
CCNC1=[NH+]C(NCC2=CC=CC=C2C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013332983	0	49	0.0	-38.60	383.68	13.50	-25.10
CCNC1=NC(NCC2=CC=CC=C2C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013332983	1	49	0.0	-46.96	385.31	13.57	-33.39
CCNC1=NC(NCC2=CC=CC=C2C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013332983	1	49	0.0	-38.97	385.30	13.58	-25.39
CN(C1=CC=CC=C1)C1=CC(NCC2=CC=CC=C2C(=O)[O-])=[NH+]C=N1	REAL300013333002	1	43	0.0	-46.34	353.74	11.29	-35.05
O=C([O-])C1=CC=CC=C1CNC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12	REAL300013333027	1	35	0.0	-50.76	311.02	9.16	-41.60
CC(O)C1CCN(C2=CC(NCC3=CC=CC=C3C(=O)[O-])=[NH+]C=N2)C1	REAL300013333028	0	47	0.0	-46.69	365.36	7.14	-39.55
CC(O)C1CCN(C2=CC(NCC3=CC=CC=C3C(=O)[O-])=NC=[NH+]2)C1	REAL300013333028	1	47	0.0	-52.07	366.25	6.44	-45.63
CCCC1=CC2=C(NCC3=CC=CC=C3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013333033	0	44	0.0	-48.57	352.87	10.80	-37.77
CCC1=CC2=C(NCC3=CC=CC=C3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013333034	0	41	0.0	-48.47	331.37	10.02	-38.45
CC(C)OC1=CC2=C(NCC3=CC=CC=C3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013333036	0	45	0.0	-52.19	357.66	9.45	-42.74
O=C([O-])C1=CC=CC=C1CNC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013333150	1	35	0.0	-50.66	309.79	9.21	-41.45
O=C([O-])C1=CC=CC=C1CNC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013333156	1	35	0.0	-43.14	307.15	9.30	-33.84
CCOC1=CC2=[NH+]C=CC(NCC3=CC=CC=C3C(=O)[O-])=C2C=C1OCC	REAL300013333167	0	49	0.0	-50.74	390.63	9.68	-41.06
COC1=CC2=[NH+]C=CC(NCC3=CC=CC=C3C(=O)[O-])=C2C=C1Br	REAL300013333208	0	39	0.0	-51.47	338.27	8.57	-42.90
CC1(C)CCCN(C2=CC=[NH+]C(NCC3=CC=CC=C3C(=O)[O-])=N2)C1	REAL300013333217	0	49	0.0	-45.91	372.71	11.63	-34.28
CC1=CC2=C(NCC3=CC=CC=C3C(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013333222	0	48	0.0	-50.78	369.04	11.48	-39.30
CC1=CC(C(F)(F)F)=CC(NCC2=CC=CC=C2C(=O)[O-])=[NH+]1	REAL300013333225	0	35	0.0	-43.17	305.83	8.83	-34.34
COC1=CC2=[NH+]C=CC(NCC3=CC=CC=C3C(=O)[O-])=C2C=C1OC	REAL300013333230	0	43	0.0	-50.98	346.92	7.84	-43.14
O=C([O-])C1=CC=CC=C1CNC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013333264	0	44	0.0	-49.19	358.34	11.42	-37.77
CC1=CC=C2C(NCC3=CC=CC=C3C(=O)[O-])=CC(C)=[NH+]C2=C1Cl	REAL300013333292	0	41	0.0	-40.44	342.84	10.33	-30.11
CC1=NC(NCC2=CC=CC=C2C(=O)[O-])=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013333294	1	43	0.0	-49.06	352.05	10.16	-38.90
CC1=[NH+]C(NCC2=CC=CC=C2C(=O)[O-])=CC(NC2=CC=CC=C2)=N1	REAL300013333294	1	43	0.0	-41.66	354.07	10.98	-30.68
CC1=[NH+]C=CC(NCC2=CC=CC=C2C(=O)[O-])=C1Br	REAL300013333297	0	32	0.0	-50.83	282.47	7.56	-43.27
CN(C1=CC=[NH+]C(NCC2=CC=CC=C2C(=O)[O-])=N1)C1CCCCC1	REAL300013333299	0	49	0.0	-46.20	373.85	12.81	-33.39
CC1=CC(N(C)C(C)C)=NC(NCC2=CC=CC=C2C(=O)[O-])=[NH+]1	REAL300013333300	0	45	0.0	-42.72	353.78	11.42	-31.30
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC2=CC=CC=C2C(=O)[O-])=[NH+]1	REAL300013333303	0	46	0.0	-44.20	375.23	12.61	-31.59
CC1=CC(N2C=CC=N2)=NC(NCC2=CC=CC=C2C(=O)[O-])=[NH+]1	REAL300013333304	1	38	0.0	-44.09	322.65	10.65	-33.44
CC1=CC(NCC2=CC=CC=C2C(=O)[O-])=NC(N(C)C(C)C)=[NH+]1	REAL300013333307	0	45	0.0	-46.78	353.91	11.52	-35.26
CN(C1=[NH+]C=CC(NCC2=CC=CC=C2C(=O)[O-])=N1)C1CCCCC1	REAL300013333310	0	49	0.0	-50.08	374.00	12.84	-37.24
O=C([O-])C1=CC=CC=C1CNC1=C2C=CNC2=NC(C2CC2)=[NH+]1	REAL300013333356	1	39	0.0	-39.77	321.61	9.84	-29.93
O=C([O-])C1=CC=CC=C1CNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013333357	0	39	0.0	-48.52	334.41	8.40	-40.12
CN(C)C1=CC(NCC2=CC=CC=C2C(=O)[O-])=[NH+]C(N(C)C)=N1	REAL300013333361	0	44	0.0	-39.02	347.87	11.14	-27.88
CN(C)C1=CC(NCC2=CC=CC=C2C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013333361	1	44	0.0	-46.21	345.54	11.02	-35.19
CC1=C(Cl)C2=[NH+]C=CC(NCC3=CC=CC=C3C(=O)[O-])=C2C=C1	REAL300013333368	1	38	0.0	-43.12	321.56	9.75	-33.37
CC(C)[NH+]1CCC(CCNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013333369	0	46	0.0	-65.28	360.29	9.59	-55.69
CC(C)[NH+]1CCC(CCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013333370	0	49	0.0	-100.35	369.81	9.70	-90.65
O=C([O-])C1=CC=CC(NCCC2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300013333373	0	50	0.0	-82.28	386.97	11.10	-71.18
O=C([O-])C1=CC=CN=C1NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013333374	0	50	0.0	-67.82	383.07	11.65	-56.17
O=C([O-])C1=CN=C(NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C(Cl)=C1	REAL300013333375	0	50	0.0	-70.78	402.48	11.98	-58.80
O=C([O-])C1=CC=CC(NCCC2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300013333376	0	50	0.0	-82.28	386.97	11.10	-71.18
O=C([O-])C1=CC=CC(NCCC2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300013333377	0	50	0.0	-82.28	386.97	11.10	-71.18
O=C([O-])C1=CC2=C(NCCC3CC[NH+](CC4=CC=CC=C4)CC3)N=CNC2=N1	REAL300013333378	0	53	0.0	-105.29	415.65	12.31	-92.98
O=C([O-])C1=CC=CC(NCC2=CC=[NH+]C(N3CCSCC3)=C2)=N1	REAL300013333393	1	41	0.0	-75.21	341.54	7.34	-67.87
O=C([O-])C1=CC=CN=C1NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300013333394	1	41	0.0	-54.35	337.65	7.88	-46.47
O=C([O-])C1=CN=C(NCC2=CC=[NH+]C(N3CCSCC3)=C2)C(Cl)=C1	REAL300013333395	1	41	0.0	-67.20	357.04	8.21	-58.99
O=C([O-])C1=CC=CC(NCC2=CC=[NH+]C(N3CCSCC3)=C2)=N1	REAL300013333396	1	41	0.0	-75.21	341.54	7.34	-67.87
O=C([O-])C1=CC=CC(NCC2=CC=[NH+]C(N3CCSCC3)=C2)=N1	REAL300013333397	1	41	0.0	-75.21	341.54	7.34	-67.87
O=C([O-])C1=CC2=C(NCC3=CC=[NH+]C(N4CCSCC4)=C3)N=CNC2=N1	REAL300013333398	1	44	0.0	-99.24	370.22	8.54	-90.70
COC1=CC=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)C=C1F	REAL300013333426	0	40	0.0	-56.48	323.89	9.02	-47.46
CNS(=O)(=O)CC1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013333438	0	40	0.0	-62.91	324.44	3.90	-59.01
CN(CCCN1C2=CC=CC=C2SC2=CC=CC=C21)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013333451	0	49	0.0	-58.65	399.96	13.64	-45.01
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC(F)=CC(Br)=C2C1	REAL300013333459	0	33	0.0	-49.36	293.10	9.65	-39.71
CCC1=CC=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013333469	0	45	0.0	-51.86	350.45	11.89	-39.97
CCC1([NH+]2CCOCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013333476	0	48	0.0	-74.68	329.07	6.29	-68.39
CCC1([NH+]2CCOCC2)CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013333477	0	48	0.0	-58.03	335.05	7.70	-50.33
CCC1([NH+]2CCOCC2)CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013333478	0	48	0.0	-64.69	353.08	7.54	-57.15
CCC1([NH+]2CCOCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013333479	0	48	0.0	-74.68	329.07	6.29	-68.39
CCC1([NH+]2CCOCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013333480	0	48	0.0	-74.68	329.07	6.29	-68.39
CCC1([NH+]2CCOCC2)CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013333481	0	51	0.0	-100.28	352.13	8.45	-91.83
COC(=O)C1CN(C2=[NH+]C=CC=C2C(=O)[O-])CC2=CC=CC=C21	REAL300013333483	1	39	0.0	-48.47	317.25	9.63	-38.84
O=C([O-])C1=CC=C[NH+]=C1N1CC2C(C1)C1CCC2CN1C(=O)C(F)(F)F	REAL300013333503	0	44	0.0	-43.99	336.80	8.90	-35.09
CCC1([NH+](C)C)CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013333540	0	43	0.0	-65.71	319.91	8.14	-57.57
CCC1([NH+](C)C)CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013333541	0	46	0.0	-101.36	321.36	9.06	-92.30
CN(CC1=CC=C(Br)C=C1F)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013333559	0	32	0.0	-46.16	288.19	9.22	-36.94
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC(C(F)(F)F)=CC=C2C1	REAL300013333565	0	36	0.0	-51.33	307.59	10.14	-41.19
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC=CC(C(F)(F)F)=C2C1	REAL300013333571	0	36	0.0	-40.27	288.60	8.96	-31.31
CC1([NH+]2CCCC2)CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013333596	0	44	0.0	-62.81	332.75	8.38	-54.43
CC1([NH+]2CCCC2)CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013333597	0	47	0.0	-97.34	339.82	9.64	-87.70
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(C=CC=C2C(F)(F)F)C1	REAL300013333606	0	36	0.0	-44.00	288.22	8.86	-35.14
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=NC=CS2)CC1	REAL300013333620	0	38	0.0	-48.37	313.64	8.33	-40.04
CCC1([NH+]2CCCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013333625	0	47	0.0	-71.89	328.29	8.61	-63.28
CCC1([NH+]2CCCC2)CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013333626	0	47	0.0	-56.57	323.78	8.96	-47.61
CCC1([NH+]2CCCC2)CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013333627	0	47	0.0	-62.54	341.92	8.66	-53.88
CCC1([NH+]2CCCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013333628	0	47	0.0	-71.89	328.29	8.61	-63.28
CCC1([NH+]2CCCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013333629	0	47	0.0	-71.89	328.29	8.61	-63.28
CCC1([NH+]2CCCC2)CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013333630	0	50	0.0	-97.45	348.42	9.88	-87.57
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=NC(C3CCOCC3)=NO2)CC1	REAL300013333646	0	51	0.0	-52.97	396.78	7.65	-45.32
COCCN(CC1CC[NH+](C)CC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013333657	0	47	0.0	-77.38	355.36	8.52	-68.86
COCCN(CC1CC[NH+](C)CC1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013333658	0	47	0.0	-70.96	366.78	8.14	-62.82
COCCN(CC1CC[NH+](C)CC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013333659	0	47	0.0	-77.38	355.36	8.52	-68.86
COCCN(CC1CC[NH+](C)CC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013333660	0	47	0.0	-77.38	355.36	8.52	-68.86
COCCN(CC1CC[NH+](C)CC1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013333661	0	50	0.0	-91.27	384.41	9.20	-82.07
C[NH+]1CCC2(CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)CC1	REAL300013333668	0	44	0.0	-67.55	335.68	8.60	-58.95
C[NH+]1CCC2(CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)CC1	REAL300013333669	0	47	0.0	-98.96	342.34	9.84	-89.12
CC1([NH+]2CCOCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013333672	0	45	0.0	-74.51	320.59	6.15	-68.36
CC1([NH+]2CCOCC2)CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013333673	0	45	0.0	-58.50	321.30	6.97	-51.53
CC1([NH+]2CCOCC2)CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013333674	0	45	0.0	-65.94	338.99	6.81	-59.13
CC1([NH+]2CCOCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013333675	0	45	0.0	-74.51	320.59	6.15	-68.36
CC1([NH+]2CCOCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013333676	0	45	0.0	-74.51	320.59	6.15	-68.36
CC1([NH+]2CCOCC2)CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013333677	0	48	0.0	-100.04	345.73	7.90	-92.14
CC(C)(O)C[N@@H+]1CC[C@H](NC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013333682	0	41	0.0	-68.74	332.93	5.67	-63.07
CC(C)(O)C[N@H+]1CC[C@H](NC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013333682	1	41	0.0	-68.85	332.78	5.68	-63.17
CC(C)(O)C[N@@H+]1CC[C@H](NC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013333683	0	44	0.0	-105.26	343.54	6.21	-99.05
CC(C)(O)C[N@H+]1CC[C@H](NC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013333683	1	44	0.0	-104.51	342.25	6.13	-98.38
CCOC(=O)C1=C(C(F)F)N(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)N=N1	REAL300013333685	0	47	0.0	-62.30	388.68	8.55	-53.75
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C3=CC=C(F)C=C32)C1	REAL300013333708	0	42	0.0	-52.81	331.40	7.15	-45.66
COCC1(C(=O)[O-])CCN(C2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013333715	0	45	0.0	-50.96	353.23	6.81	-44.15
COCC1(C(=O)[O-])CCN(C2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013333715	1	45	0.0	-67.14	353.51	6.77	-60.37
COCC1(C(=O)[O-])CCN(C2=CC(NCC3CC3)=[NH+]C=N2)C1	REAL300013333724	0	44	0.0	-58.48	347.26	6.85	-51.63
COCC1(C(=O)[O-])CCN(C2=CC(NCC3CC3)=NC=[NH+]2)C1	REAL300013333724	1	44	0.0	-48.58	346.07	6.54	-42.04
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCC3)=[NH+]C=N2)C1	REAL300013333735	0	44	0.0	-62.79	337.68	6.23	-56.56
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCC3)=NC=[NH+]2)C1	REAL300013333735	1	44	0.0	-48.12	336.20	6.26	-41.86
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3)=[NH+]C=N2)C1	REAL300013333736	0	47	0.0	-64.53	352.78	7.16	-57.37
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3)=NC=[NH+]2)C1	REAL300013333736	1	47	0.0	-47.79	353.86	6.94	-40.85
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013333737	0	51	0.0	-50.97	385.50	4.22	-46.75
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013333737	1	51	0.0	-68.36	384.41	4.45	-63.91
CCCC1=[NH+]C2=CC=CC=C2C(N2CCC(COC)(C(=O)[O-])C2)=C1	REAL300013333738	0	48	0.0	-52.73	372.92	8.36	-44.37
COCC1(C(=O)[O-])CCN(C2=NC3=CC(OC)=C(OC)C=C3C(N)=[NH+]2)C1	REAL300013333768	0	48	0.0	-60.89	374.48	5.99	-54.90
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C1	REAL300013333781	0	42	0.0	-59.02	347.23	7.27	-51.75
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)C1	REAL300013333794	1	39	0.0	-59.88	325.40	6.78	-53.10
COCC1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013333797	1	36	0.0	-52.63	301.96	5.68	-46.95
COCC1(C(=O)[O-])CCN(C2=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N2)C1	REAL300013333798	1	56	0.0	-57.37	415.99	9.09	-48.28
COCC1(C(=O)[O-])CCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013333806	0	45	0.0	-49.97	344.99	4.48	-45.49
COCC1(C(=O)[O-])CCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013333806	1	45	0.0	-66.34	343.87	4.72	-61.62
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C(C3=CC=C([N+](=O)[O-])C=C3)=N2)C1	REAL300013333813	1	47	0.0	-65.19	384.97	9.94	-55.25
COCC1(C(=O)[O-])CCN(C2=[NH+]C3=CC(C)=CC=C3C(C)=C2)C1	REAL300013333826	1	45	0.0	-46.74	347.58	7.69	-39.05
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)C1	REAL300013333844	1	39	0.0	-56.96	325.39	6.77	-50.19
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1	REAL300013333857	1	39	0.0	-56.99	329.95	6.88	-50.11
COCC1(C(=O)[O-])CCN(C2=C(C)C(C)=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013333888	0	45	0.0	-61.55	357.02	8.26	-53.29
COCC1(C(=O)[O-])CCN(C2=C(C)C=[NH+]C3=CC=CC=C32)C1	REAL300013333901	0	42	0.0	-61.98	317.40	6.59	-55.39
COCC1(C(=O)[O-])CCN(C2=CC(NCC(C)O)=[NH+]C=N2)C1	REAL300013333911	0	44	0.0	-59.32	347.90	2.78	-56.54
COCC1(C(=O)[O-])CCN(C2=CC(NCC(C)O)=NC=[NH+]2)C1	REAL300013333911	1	44	0.0	-49.84	347.03	2.41	-47.43
COCC1(C(=O)[O-])CCN(C2=CC(N3C=CC=N3)=NC(N)=[NH+]2)C1	REAL300013333921	0	41	0.0	-46.85	333.83	6.14	-40.71
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N3CCOCC3)=N2)C1	REAL300013333926	0	45	0.0	-65.35	346.01	5.02	-60.33
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C3=C(OC)C=CC=C23)C1	REAL300013333931	1	46	0.0	-46.85	353.43	6.49	-40.36
CCOC(=O)C1=C(N2CCC(COC)(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013333932	1	54	0.0	-72.05	408.56	9.93	-62.12
CCC1=[NH+]C2=CC=CC=C2C(N2CCC(COC)(C(=O)[O-])C2)=C1	REAL300013333943	0	45	0.0	-60.98	350.23	8.18	-52.80
COCC1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013333947	1	36	0.0	-52.63	301.96	5.68	-46.95
COCC1(C(=O)[O-])CCN(C2=NC(C(C)C)=[NH+]C(N(C)C)=N2)C1	REAL300013333957	1	48	0.0	-57.29	368.59	10.40	-46.89
COCC1(C(=O)[O-])CCN(C2=[NH+]C(C(C)C)=NC(N(C)C)=N2)C1	REAL300013333957	1	48	0.0	-46.21	370.81	10.68	-35.53
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C(N3CCCCC3)=N2)C1	REAL300013333963	0	47	0.0	-66.44	355.11	7.70	-58.74
CCC1=C(N2CCC(COC)(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013333976	0	48	0.0	-61.06	357.24	8.38	-52.68
COCC1(C(=O)[O-])CCN(C2=[NH+]C(C)=CC3=CC=CC=C32)C1	REAL300013333978	0	42	0.0	-40.76	330.43	8.55	-32.21
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013333984	0	51	0.0	-50.56	383.78	3.39	-47.17
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013333984	1	51	0.0	-64.47	385.60	3.94	-60.53
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C3=CC=C([N+](=O)[O-])C=C32)C1	REAL300013333988	0	44	0.0	-62.76	358.05	7.51	-55.25
COCC1(C(=O)[O-])CCN(C2=C(C)C(C)=[NH+]C3=CC=CC=C32)C1	REAL300013333994	0	45	0.0	-60.53	335.75	7.65	-52.88
COCC1(C(=O)[O-])CCN(C2=C(C)C=[NH+]C3=C(C)C=CC=C32)C1	REAL300013334001	0	45	0.0	-62.15	337.11	7.89	-54.26
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C=C2Br)C1	REAL300013334003	1	33	0.0	-62.30	284.08	4.69	-57.61
COCC1(C(=O)[O-])CCN(C2=CC(N3CCN(C)C(=O)C3)=NC=[NH+]2)C1	REAL300013334004	0	48	0.0	-55.91	370.45	4.93	-50.98
COCC1(C(=O)[O-])CCN(C2=CC(N3CCN(C)C(=O)C3)=[NH+]C=N2)C1	REAL300013334004	1	48	0.0	-75.64	369.83	5.11	-70.53
COCC1(C(=O)[O-])CCN(C2=CC(NC3CCCOC3C(C)C)=[NH+]C=N2)C1	REAL300013334015	0	57	0.0	-67.63	424.55	7.89	-59.74
COCC1(C(=O)[O-])CCN(C2=CC(NC3CCCOC3C(C)C)=NC=[NH+]2)C1	REAL300013334015	1	57	0.0	-49.01	423.41	7.52	-41.49
CCOC(=O)C1=C[NH+]=CC=C1N1CCC(COC)(C(=O)[O-])C1	REAL300013334017	1	42	0.0	-67.92	338.05	6.33	-61.59
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C1	REAL300013334039	0	50	0.0	-59.89	399.08	9.18	-50.71
CCCCNC1=CC(N2CCC(COC)(C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013334054	0	48	0.0	-62.37	373.86	6.28	-56.09
CCCCNC1=CC(N2CCC(COC)(C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013334054	1	48	0.0	-45.79	372.50	5.89	-39.90
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C=C2Br)C1	REAL300013334062	1	33	0.0	-62.30	284.08	4.69	-57.61
COCC1(C(=O)[O-])CCN(C2=NC(NCCO)=[NH+]C(NC(C)C)=N2)C1	REAL300013334067	0	51	0.0	-58.94	399.56	6.33	-52.61
COCC1(C(=O)[O-])CCN(C2=[NH+]C(NCCO)=NC(NC(C)C)=N2)C1	REAL300013334067	1	51	0.0	-48.72	400.30	7.16	-41.56
COCC1(C(=O)[O-])CCN(C2=NC(NCCO)=NC(NC(C)C)=[NH+]2)C1	REAL300013334067	1	51	0.0	-48.64	399.64	7.15	-41.49
COCC1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013334077	1	36	0.0	-52.63	301.96	5.68	-46.95
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC(COC)(C(=O)[O-])C2)=N1	REAL300013334082	0	53	0.0	-55.92	399.23	10.27	-45.65
CCNC1=NC(NC(C)(C)C)=NC(N2CCC(COC)(C(=O)[O-])C2)=[NH+]1	REAL300013334082	1	53	0.0	-46.80	401.47	11.39	-35.41
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC(COC)(C(=O)[O-])C2)=N1	REAL300013334082	1	53	0.0	-44.28	399.31	11.10	-33.18
COCC1(C(=O)[O-])CCN(C2=CC(N3CCC(C(C)O)C3)=NC=[NH+]2)C1	REAL300013334130	0	51	0.0	-48.03	383.75	3.55	-44.48
COCC1(C(=O)[O-])CCN(C2=CC(N3CCC(C(C)O)C3)=[NH+]C=N2)C1	REAL300013334130	1	51	0.0	-66.46	385.10	4.24	-62.22
COCC1(C(=O)[O-])CCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C1	REAL300013334132	1	42	0.0	-61.18	335.89	8.21	-52.97
CCCC1=CC2=C(N3CCC(COC)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013334136	0	48	0.0	-57.11	373.05	8.47	-48.64
CCC1=CC2=C(N3CCC(COC)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013334137	0	45	0.0	-57.06	351.55	7.69	-49.37
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(OC(C)C)C=C32)C1	REAL300013334140	0	49	0.0	-58.13	377.96	7.14	-50.99
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C3=CC=CC=C32)C1	REAL300013334201	0	42	0.0	-53.50	330.00	6.84	-46.66
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013334269	1	39	0.0	-59.76	329.96	6.89	-52.87
CCOC1=CC2=[NH+]C=CC(N3CCC(COC)(C(=O)[O-])C3)=C2C=C1OCC	REAL300013334289	0	53	0.0	-59.09	410.81	7.35	-51.74
CCC1=CC(N2CCC(COC)(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013334291	1	47	0.0	-64.40	374.38	7.54	-56.86
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N3CCCC3)=N2)C1	REAL300013334303	0	44	0.0	-58.28	337.13	6.64	-51.64
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(F)=CC=C32)C1	REAL300013334324	0	39	0.0	-57.27	315.10	6.34	-50.93
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(OC)=C(Br)C=C32)C1	REAL300013334338	0	43	0.0	-60.05	358.45	6.26	-53.79
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC3=CC=C(C)C=C32)C1	REAL300013334342	1	42	0.0	-48.20	330.19	7.97	-40.23
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC3=C(C)C=CC=C32)C1	REAL300013334343	1	42	0.0	-47.36	326.77	7.86	-39.50
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N3CCCC(C)(C)C3)=N2)C1	REAL300013334351	0	53	0.0	-63.16	391.39	8.85	-54.31
COCC1(C(=O)[O-])CCN(C2=C3CCCCC3=[NH+]C3=CC(F)=C(C)C=C32)C1	REAL300013334356	0	52	0.0	-54.05	385.54	9.11	-44.94
COCC1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=CC(C)=[NH+]2)C1	REAL300013334359	0	39	0.0	-47.18	321.96	6.78	-40.40
COCC1(C(=O)[O-])CCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C1	REAL300013334361	1	44	0.0	-62.95	349.76	8.52	-54.43
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(OC)=C(OC)C=C32)C1	REAL300013334365	0	47	0.0	-59.35	367.10	5.52	-53.83
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013334403	0	48	0.0	-63.44	376.92	8.56	-54.88
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C3=C(Cl)C(C)=CC=C23)C1	REAL300013334433	0	45	0.0	-56.45	361.79	8.55	-47.90
COCC1(C(=O)[O-])CCN(C2=CC(NC3=CC=CC=C3)=[NH+]C(C)=N2)C1	REAL300013334435	0	47	0.0	-53.81	369.99	8.61	-45.20
COCC1(C(=O)[O-])CCN(C2=CC(NC3=CC=CC=C3)=NC(C)=[NH+]2)C1	REAL300013334435	1	47	0.0	-44.53	369.57	7.56	-36.97
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C(C)=C2Br)C1	REAL300013334438	0	36	0.0	-59.24	302.24	5.18	-54.06
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N(C)C3CCCCC3)=N2)C1	REAL300013334440	0	53	0.0	-58.83	392.42	9.96	-48.87
COCC1(C(=O)[O-])CCN(C2=[NH+]C(C)=CC(N(C)C(C)C)=N2)C1	REAL300013334441	0	49	0.0	-51.33	372.06	9.32	-42.01
COCC1(C(=O)[O-])CCN(C2=[NH+]C(C)=CC(N(C)C3=CC=CC=C3)=N2)C1	REAL300013334445	0	50	0.0	-57.04	392.93	10.51	-46.53
COCC1(C(=O)[O-])CCN(C2=[NH+]C(C)=CC(N3C=CC=N3)=N2)C1	REAL300013334446	1	42	0.0	-58.25	341.33	7.86	-50.39
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C(N(C)C(C)C)=N2)C1	REAL300013334449	0	49	0.0	-60.06	373.26	9.14	-50.92
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C(N(C)C3CCCCC3)=N2)C1	REAL300013334452	0	53	0.0	-66.78	392.89	10.63	-56.15
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C(N(C)C3=CC=CC=C3)=N2)C1	REAL300013334454	1	50	0.0	-61.49	396.61	11.04	-50.45
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC3=CC=CC(C)=C32)C1	REAL300013334477	1	42	0.0	-47.88	323.92	9.50	-38.38
COCC1(C(=O)[O-])CCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)C1	REAL300013334502	0	43	0.0	-45.16	340.19	7.03	-38.13
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013334503	0	43	0.0	-58.11	354.60	6.08	-52.03
COCC1(C(=O)[O-])CCN(C2=CC(N(C)C)=[NH+]C(N(C)C)=N2)C1	REAL300013334508	1	48	0.0	-59.43	365.26	8.75	-50.68
COCC1(C(=O)[O-])CCN(C2=CC(N(C)C)=NC(N(C)C)=[NH+]2)C1	REAL300013334508	1	48	0.0	-43.83	367.76	8.39	-35.44
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=C(Cl)C(C)=CC=C23)C1	REAL300013334516	1	42	0.0	-52.18	341.73	7.42	-44.76
CC1CC(C2=CC=C(Br)C=C2)CN1C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013334548	0	39	0.0	-50.30	330.11	10.91	-39.39
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC=C(C(F)(F)F)C=C2C1	REAL300013334553	0	36	0.0	-40.14	294.84	9.17	-30.97
O=C([O-])C1=CC=CC(NC2CCCCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013334570	0	50	0.0	-76.94	363.52	10.74	-66.20
O=C([O-])C1=CC=CC(NC2CCCCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013334570	1	50	0.0	-75.95	363.75	10.78	-65.17
O=C([O-])C1=CC=CN=C1NC1CCCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013334571	0	50	0.0	-55.05	363.13	11.33	-43.72
O=C([O-])C1=CC=CN=C1NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013334571	1	50	0.0	-54.34	363.84	11.81	-42.53
O=C([O-])C1=CN=C(NC2CCCCC[N@H+](CC3=CC=CC=C3)C2)C(Cl)=C1	REAL300013334572	0	50	0.0	-68.41	383.45	11.85	-56.56
O=C([O-])C1=CN=C(NC2CCCCC[N@@H+](CC3=CC=CC=C3)C2)C(Cl)=C1	REAL300013334572	1	50	0.0	-68.41	383.46	11.82	-56.59
O=C([O-])C1=CC=CC(NC2CCCCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013334573	0	50	0.0	-76.94	363.52	10.74	-66.20
O=C([O-])C1=CC=CC(NC2CCCCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013334573	1	50	0.0	-75.95	363.75	10.78	-65.17
O=C([O-])C1=CC=CC(NC2CCCCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013334574	0	50	0.0	-76.94	363.52	10.74	-66.20
O=C([O-])C1=CC=CC(NC2CCCCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013334574	1	50	0.0	-75.95	363.75	10.78	-65.17
O=C([O-])C1=CC2=C(NC3CCCCC[N@H+](CC4=CC=CC=C4)C3)N=CNC2=N1	REAL300013334575	0	53	0.0	-102.12	395.86	11.98	-90.14
O=C([O-])C1=CC2=C(NC3CCCCC[N@@H+](CC4=CC=CC=C4)C3)N=CNC2=N1	REAL300013334575	1	53	0.0	-101.69	396.56	12.46	-89.23
NC(=O)CC1=CC=CC2=C1CCN(C1=[NH+]C=CC=C1C(=O)[O-])C2	REAL300013334579	0	40	0.0	-39.76	310.80	5.36	-34.40
CC(=O)NC1=CC=CC2=C1CN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013334585	0	40	0.0	-55.24	320.16	8.14	-47.10
CC1=CC(Br)=C2CN(C3=[NH+]C=CC=C3C(=O)[O-])CCC2=C1	REAL300013334605	0	36	0.0	-48.71	308.20	10.26	-38.45
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=CC=CN=C2Cl)CC1	REAL300013334629	0	39	0.0	-51.25	331.79	7.25	-44.00
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=NC(C3CCC3)=NO2)CC1	REAL300013334637	0	47	0.0	-52.13	369.89	9.00	-43.13
COCC1=NC=C2CN(C3=[NH+]C=CC=C3C(=O)[O-])CCC2=N1	REAL300013334644	0	38	0.0	-55.36	313.71	6.02	-49.34
CN(CC1=CC=CC=C1OCC1=CC=CC=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013334662	0	46	0.0	-46.73	371.12	12.24	-34.49
CC1CC(N2N=NC3=C2CN(C2=[NH+]C=CC=C2C(=O)[O-])CC3)C1	REAL300013334693	0	42	0.0	-59.27	333.86	8.32	-50.95
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=C3C=CNC3=CC=C2)CC1	REAL300013334699	0	42	0.0	-51.97	334.14	8.09	-43.88
CN(CC(O)COC1=CC(Cl)=CC(Cl)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013334716	0	40	0.0	-53.40	362.10	7.12	-46.28
COC1=CC=CC(CC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1	REAL300013334719	0	46	0.0	-52.68	358.31	10.52	-42.16
CCN(CC)S(=O)(=O)N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013334772	0	45	0.0	-47.61	361.02	5.58	-42.03
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OC2=CC=CC(F)=C2)C1	REAL300013334778	0	37	0.0	-54.70	305.85	8.75	-45.95
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OCC2CCCO2)CC1	REAL300013334804	0	44	0.0	-58.20	342.05	7.44	-50.76
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300013334810	0	42	0.0	-47.45	342.71	11.64	-35.81
O=C([O-])C1=CC=C[NH+]=C1N1CC2C(F)(F)C(F)(F)C2(Cl)C1	REAL300013334824	0	30	0.0	-44.66	269.48	8.08	-36.58
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=NC(C3CCC3)=NO2)CC1	REAL300013334830	0	44	0.0	-55.63	350.79	8.10	-47.53
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=CC=C(F)C=C2)CC1	REAL300013334840	0	39	0.0	-52.76	313.96	10.52	-42.24
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=CC=CC=C2Cl)CC1	REAL300013334846	0	42	0.0	-47.45	342.71	11.64	-35.81
O=C([O-])[C@H]1C[C@@H](NC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013334858	0	44	0.0	-58.18	340.88	5.19	-52.99
O=C([O-])[C@H]1C[C@@H](NC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013334858	1	44	0.0	-62.64	338.54	5.04	-57.60
COC1=CC=C(NC2=CC(N[C@H]3C[C@@H](C(=O)[O-])C3)=[NH+]C=N2)C(OC)=C1	REAL300013334860	1	45	0.0	-60.56	361.60	8.34	-52.22
COC1=CC2=NC(N[C@H]3C[C@@H](C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013334874	0	41	0.0	-61.28	330.36	6.53	-54.75
O=C([O-])[C@H]1C[C@@H](NC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)C1	REAL300013334879	0	35	0.0	-61.24	300.73	7.99	-53.25
CC(C)(C)C1=CC(N[C@H]2C[C@@H](C(=O)[O-])C2)=NC(C(C)(C)C)=[NH+]1	REAL300013334883	1	49	0.0	-51.77	370.43	9.74	-42.03
CC1=CC(N[C@H]2C[C@@H](C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013334890	1	40	0.0	-66.26	340.38	9.88	-56.38
O=C([O-])[C@H]1C[C@@H](NC2=CC=[NH+]C3=CC(Br)=CC=C23)C1	REAL300013334916	1	32	0.0	-59.06	283.14	7.60	-51.46
CC1=[NH+]C2=CC=C(Br)C=C2C(N[C@H]2C[C@@H](C(=O)[O-])C2)=C1C	REAL300013334934	0	38	0.0	-57.76	316.65	8.25	-49.51
CCOC(=O)C1=C(N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013334957	1	44	0.0	-68.46	361.92	7.07	-61.39
CCOC(=O)C1=C(N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013334958	1	47	0.0	-61.59	366.20	9.43	-52.16
O=C([O-])[C@H]1C[C@@H](NC2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013334973	0	44	0.0	-57.12	341.45	4.53	-52.59
O=C([O-])[C@H]1C[C@@H](NC2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013334973	1	44	0.0	-56.54	339.23	4.36	-52.18
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013334977	0	37	0.0	-67.03	310.82	8.24	-58.79
CN1CCN(C2=CC(N[C@H]3C[C@@H](C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013334984	0	41	0.0	-61.96	324.31	5.36	-56.60
CN1CCN(C2=CC(N[C@H]3C[C@@H](C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013334984	1	41	0.0	-61.64	319.06	5.08	-56.56
CC(C)C1OCCCC1NC1=CC(N[C@H]2C[C@@H](C(=O)[O-])C2)=[NH+]C=N1	REAL300013334989	0	50	0.0	-55.79	379.07	8.51	-47.28
CC(C)C1OCCCC1NC1=CC(N[C@H]2C[C@@H](C(=O)[O-])C2)=NC=[NH+]1	REAL300013334989	1	50	0.0	-62.40	378.55	8.51	-53.89
O=C([O-])[C@H]1C[C@@H](NC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)C1	REAL300013335001	0	43	0.0	-62.66	351.89	9.89	-52.77
O=C([O-])[C@H]1C[C@@H](NC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013335007	1	39	0.0	-49.17	329.65	9.94	-39.23
CC(C)NC1=[NH+]C(NCCO)=NC(N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013335019	0	44	0.0	-54.89	355.47	7.73	-47.16
CC(C)NC1=NC(NCCO)=[NH+]C(N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013335019	1	44	0.0	-50.82	356.01	7.73	-43.09
CC(C)NC1=NC(NCCO)=NC(N[C@H]2C[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013335019	1	44	0.0	-50.04	355.36	7.69	-42.35
CCNC1=NC(NC(C)(C)C)=NC(N[C@H]2C[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013335026	0	46	0.0	-49.41	357.14	11.95	-37.46
CCNC1=[NH+]C(NC(C)(C)C)=NC(N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013335026	1	46	0.0	-53.51	359.35	12.05	-41.46
CCNC1=NC(NC(C)(C)C)=[NH+]C(N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300013335026	1	46	0.0	-49.54	358.41	12.03	-37.51
CC(O)C1CCN(C2=CC(N[C@H]3C[C@@H](C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013335049	0	44	0.0	-57.03	338.27	4.81	-52.22
CC(O)C1CCN(C2=CC(N[C@H]3C[C@@H](C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013335049	1	44	0.0	-57.25	342.57	4.43	-52.82
CC(C)OC1=CC2=C(N[C@H]3C[C@@H](C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013335052	0	42	0.0	-62.36	330.59	7.85	-54.51
CCOC(=O)C1=C(C)C2=C(N[C@H]3C[C@@H](C(=O)[O-])C3)N=C(C[NH+](C)C)N=C2S1	REAL300013335084	1	51	0.0	-66.54	415.70	10.29	-56.25
C[NH+](C)CCNS(=O)(=O)C1=CC=C(N[C@H]2C[C@@H](C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300013335088	0	48	0.0	-81.65	398.94	5.27	-76.38
CCC1=CC(N[C@H]2C[C@@H](C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013335137	1	43	0.0	-64.68	361.88	10.60	-54.08
C[NH+](C)CC1=NC(N[C@H]2C[C@@H](C(=O)[O-])C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013335152	1	49	0.0	-63.07	402.48	11.75	-51.32
O=C([O-])[C@H]1C[C@@H](NC2=CC=[NH+]C3=CC=C(Br)C=C23)C1	REAL300013335153	1	32	0.0	-62.20	282.78	7.61	-54.59
O=C([O-])[C@H]1C[C@@H](NC2=CC=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013335159	1	32	0.0	-54.74	280.10	7.70	-47.04
CCOC1=CC2=[NH+]C=CC(N[C@H]3C[C@@H](C(=O)[O-])C3)=C2C=C1OCC	REAL300013335166	0	46	0.0	-61.70	363.58	8.07	-53.63
COC1=CC2=[NH+]C=CC(N[C@H]3C[C@@H](C(=O)[O-])C3)=C2C=C1Br	REAL300013335192	0	36	0.0	-63.19	311.28	6.96	-56.23
CC1(C)CCCN(C2=CC=[NH+]C(N[C@H]3C[C@@H](C(=O)[O-])C3)=N2)C1	REAL300013335199	0	46	0.0	-60.73	347.65	9.61	-51.12
CC1=CC2=C(N[C@H]3C[C@@H](C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013335203	0	45	0.0	-53.59	345.78	9.61	-43.98
COC1=CC2=[NH+]C=CC(N[C@H]3C[C@@H](C(=O)[O-])C3)=C2C=C1OC	REAL300013335206	0	40	0.0	-61.62	320.26	6.24	-55.38
O=C([O-])[C@H]1C[C@@H](NC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013335219	0	41	0.0	-61.27	331.86	9.87	-51.40
CC1=CC=C2C(N[C@H]3C[C@@H](C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013335229	0	38	0.0	-51.07	315.79	8.73	-42.34
CN(C1=CC=[NH+]C(N[C@H]2C[C@@H](C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013335235	0	46	0.0	-57.40	347.32	11.27	-46.13
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@H]2C[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013335237	0	43	0.0	-55.45	350.41	11.87	-43.58
CN(C1=[NH+]C=CC(N[C@H]2C[C@@H](C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013335238	0	46	0.0	-59.93	346.97	11.24	-48.69
CC1=CC(N[C@H]2C[C@@H](C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013335240	1	43	0.0	-57.78	348.74	11.88	-45.90
O=C([O-])[C@H]1C[C@@H](NC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)C1	REAL300013335270	0	36	0.0	-60.63	307.45	6.79	-53.84
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=CC=C(Cl)C=C2)CC1	REAL300013335283	0	42	0.0	-49.55	345.53	11.74	-37.81
CC1=C(C)C(NC2CC[NH+](CC(=O)[O-])CC2)=NN2C1=NN=C2C(F)(F)F	REAL300013335288	1	45	0.0	-41.77	367.36	9.45	-32.32
O=C([O-])C[NH+]1CCC(NC2=CC=C(Br)C=N2)CC1	REAL300013335289	1	34	0.0	-37.43	285.31	6.91	-30.52
O=C([O-])C[NH+]1CCC(NC2=CC=C(Br)C=N2)CC1	REAL300013335290	1	34	0.0	-37.43	285.31	6.91	-30.52
N#CC1=C(NC2CC[NH+](CC(=O)[O-])CC2)N=C2CCCCCCC2=C1C#N	REAL300013335291	1	52	0.0	-40.08	394.23	10.58	-29.50
N#CC1=CC=C(NC2CC[NH+](CC(=O)[O-])CC2)C(C(F)(F)F)=C1	REAL300013335292	0	39	0.0	-42.31	324.62	8.85	-33.46
O=C([O-])C[NH+]1CCC(NC2=NC=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300013335293	1	36	0.0	-36.51	310.41	8.12	-28.39
O=C([O-])C[NH+]1CCC(NC2=NC=CC=C2Br)CC1	REAL300013335294	1	34	0.0	-34.46	286.03	7.43	-27.03
N#CC1=C(NC2CC[NH+](CC(=O)[O-])CC2)N=C2CCCCCCC2=C1C#N	REAL300013335295	1	52	0.0	-40.08	394.23	10.58	-29.50
COC1=CC=CC(NC2CC[NH+](CC(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300013335296	1	41	0.0	-43.39	327.79	7.44	-35.95
O=C([O-])C[NH+]1CCC(NC2=C(Cl)C=C([N+](=O)[O-])C=C2Cl)CC1	REAL300013335297	1	37	0.0	-36.17	325.45	8.64	-27.53
CC1=CC=NC(NC2CC[NH+](CC(=O)[O-])CC2)=C1Br	REAL300013335298	1	37	0.0	-34.58	304.52	8.00	-26.58
CC1=[NH+]C2=CC=C(F)C=C2C(NC2CCN(CC(=O)[O-])CC2)=C1	REAL300013335299	1	43	0.0	-60.37	337.20	6.65	-53.72
COC1=CC(NC2CC[NH+](CC(=O)[O-])CC2)=C(F)C=C1[N+](=O)[O-]	REAL300013335300	1	41	0.0	-47.16	330.66	8.10	-39.06
CC(=O)C1=CC([N+](=O)[O-])=CC=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300013335301	1	42	0.0	-42.09	333.48	8.72	-33.37
CC(=O)C1=CC(NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300013335302	1	42	0.0	-48.93	338.14	8.25	-40.68
O=C([O-])C[NH+]1CCC(NC2=C(Br)C=NC=C2[N+](=O)[O-])CC1	REAL300013335303	1	36	0.0	-36.19	301.43	6.55	-29.64
N#CC1=CC([N+](=O)[O-])=CC=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300013335304	1	38	0.0	-47.55	316.57	8.34	-39.21
CC(C)(C)C1=NN=C2C=CC(NC3CC[NH+](CC(=O)[O-])CC3)=NN21	REAL300013335305	1	48	0.0	-46.95	371.18	9.46	-37.49
O=C([O-])C[NH+]1CCC(NC2=NC=C(C(F)(F)F)C=C2Cl)CC1	REAL300013335307	1	37	0.0	-35.33	321.05	8.29	-27.04
N#CC1=CC(NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300013335308	0	39	0.0	-44.31	326.37	8.43	-35.88
O=C([O-])C[NH+]1CCC(NC2=NC=C(Br)C=N2)CC1	REAL300013335309	1	33	0.0	-35.82	283.67	7.69	-28.13
C=CCNC(=O)C1=CC=C(NC2CC[NH+](CC(=O)[O-])CC2)N=C1	REAL300013335310	1	45	0.0	-42.42	354.61	5.94	-36.48
O=C([O-])C[NH+]1CCC(NC2=CC=C([N+](=O)[O-])C(OC(F)F)=C2)CC1	REAL300013335311	0	41	0.0	-47.02	334.92	8.28	-38.74
CN1N=CC(NC2CC[NH+](CC(=O)[O-])CC2)=C(Cl)C1=O	REAL300013335312	0	37	0.0	-48.74	304.13	4.77	-43.97
N#CC1=CC(NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300013335313	0	38	0.0	-52.47	315.10	8.06	-44.41
O=C([O-])C[NH+]1CCC(NC2=NC=C([N+](=O)[O-])C=C2Cl)CC1	REAL300013335314	1	36	0.0	-38.90	310.28	7.95	-30.95
N#CC1=CC(Br)=CC=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300013335316	0	36	0.0	-39.38	309.36	8.24	-31.14
O=C([O-])C[NH+]1CCC(NC2=C(F)C(F)=NC(F)=C2F)CC1	REAL300013335317	1	34	0.0	-33.81	290.56	5.21	-28.60
N#CC1=CC(C(F)(F)F)=CC=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300013335318	0	39	0.0	-42.03	327.09	8.66	-33.37
O=C([O-])C[NH+]1CCC(NC2=CN=CC(SCC3=CC=CC=C3)=N2)CC1	REAL300013335319	1	47	0.0	-38.27	384.09	9.52	-28.75
CC(=O)C1=CC=C(NC2CC[NH+](CC(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300013335320	1	42	0.0	-52.60	335.12	8.52	-44.08
O=C([O-])C[NH+]1CCC(NC2=CC=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300013335321	1	37	0.0	-42.76	311.14	8.65	-34.11
CC(C)COC1=CN=CC(NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013335322	1	46	0.0	-37.65	354.93	5.33	-32.32
O=C([O-])C[NH+]1CCC(NC2=NC=NC=C2Br)CC1	REAL300013335323	1	33	0.0	-35.80	281.13	7.23	-28.57
O=C([O-])C[NH+]1CCC(NC2=NN3C(=NN=C3C(F)F)C=C2)CC1	REAL300013335324	1	39	0.0	-47.16	324.54	7.94	-39.22
O=C([O-])C[NH+]1CCC(NC2=NC(C(F)(F)F)=CS2)CC1	REAL300013335325	1	34	0.0	-39.69	297.29	6.48	-33.21
CCCC1=[NH+]C2=CC=CC=C2C(NC2CCN(CC(=O)[O-])CC2)=C1	REAL300013335329	1	49	0.0	-55.55	373.70	8.10	-47.45
O=C([O-])C[NH+]1CCC(NC2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CC1	REAL300013335330	1	40	0.0	-42.02	330.50	9.08	-32.94
O=C([O-])C[NH+]1CCC(NC2=CC=C(Br)C=N2)CC1	REAL300013335331	1	34	0.0	-37.43	285.31	6.91	-30.52
COC1=CC=C(NC2=CC(NC3CC[NH+](CC(=O)[O-])CC3)=NC=N2)C(OC)=C1	REAL300013335332	1	53	0.0	-41.17	408.08	8.99	-32.18
N#CC1=CC=C(NC2CC[NH+](CC(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300013335333	1	38	0.0	-45.35	312.14	8.44	-36.91
O=C([O-])C[NH+]1CCC(NC2=NC=C([N+](=O)[O-])C=C2Br)CC1	REAL300013335334	1	36	0.0	-38.78	314.39	8.08	-30.70
CCOC(=O)C1=C(C)C2=CC=CC=C2N=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300013335335	1	52	0.0	-39.13	406.26	11.12	-28.01
CCOC(=O)CSC1=CN=CC(NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013335336	1	46	0.0	-40.44	379.89	7.43	-33.01
CC1=NC2=C(CCCC2)C(NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013335337	1	46	0.0	-37.96	343.94	9.03	-28.93
CCOC(=O)C1=CC=NC(NC2CC[NH+](CC(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300013335338	1	45	0.0	-45.01	370.78	9.69	-35.32
CCOC1=CC=CC(NC2CC[NH+](CC(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300013335339	1	44	0.0	-43.42	349.74	8.38	-35.04
O=C([O-])C[NH+]1CCC(NC2=NC(C3=CC=CC=C3Cl)=CS2)CC1	REAL300013335340	1	41	0.0	-39.27	347.25	10.13	-29.14
O=C([O-])C[NH+]1CCC(NC2=NC3=CC=CC=C3N=C2N2CCCCC2)CC1	REAL300013335341	1	54	0.0	-37.92	407.17	9.68	-28.24
CCN1N=C(C)C([N+](=O)[O-])=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300013335342	1	43	0.0	-36.74	331.81	7.28	-29.46
O=C([O-])C[NH+]1CCC(NC2=CC(Cl)=CC=C2[N+](=O)[O-])CC1	REAL300013335343	1	37	0.0	-38.80	309.71	8.64	-30.16
O=C([O-])C[NH+]1CCC(NC2=NC=NC=C2C2=CC=CC=C2)CC1	REAL300013335344	0	43	0.0	-36.25	338.55	10.37	-25.88
N#CC1=CC=C(C(F)(F)F)N=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300013335345	1	38	0.0	-37.30	326.85	8.23	-29.07
O=C([O-])C[NH+]1CCC(NC2=NC(C3=CC=C(F)C=C3)=CS2)CC1	REAL300013335346	1	41	0.0	-38.95	341.49	9.27	-29.68
O=C([O-])C[NH+]1CCC(NC2=NC3=CC=CC=C3N=C2N2CCOCC2)CC1	REAL300013335347	1	52	0.0	-36.68	398.36	7.26	-29.42
O=C([O-])C[NH+]1CCC(NC2=NC3=CC=CC=C3N=C2N2CCCC2)CC1	REAL300013335348	1	51	0.0	-38.13	388.01	8.87	-29.26
CC1CN(C2=NC3=CC=CC=C3N=C2NC2CC[NH+](CC(=O)[O-])CC2)CC(C)O1	REAL300013335349	1	58	0.0	-39.28	440.27	8.73	-30.55
N#CC1=CC(C(F)(F)F)=CC=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300013335350	0	39	0.0	-42.03	327.09	8.66	-33.37
O=C([O-])C[NH+]1CCC(NC2=CC=C([N+](=O)[O-])C(C(F)(F)F)=C2)CC1	REAL300013335351	0	40	0.0	-48.75	327.98	8.67	-40.08
CCS(=O)(=O)C1=CC=C(NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013335352	1	44	0.0	-43.50	351.82	5.68	-37.82
CCS(=O)(=O)C1=CC=CC=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300013335353	1	44	0.0	-44.59	344.65	6.14	-38.45
CC1=NC(NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1Br	REAL300013335354	0	37	0.0	-37.49	303.71	7.44	-30.05
O=C([O-])C[NH+]1CCC(NC2=NC=C(Br)C=C2Cl)CC1	REAL300013335355	1	34	0.0	-34.33	303.26	7.90	-26.43
O=C([O-])C[NH+]1CCC(NC2=CC=C([N+](=O)[O-])C=C2Br)CC1	REAL300013335356	0	37	0.0	-43.02	316.04	8.60	-34.42
COC1=CC(NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300013335357	0	41	0.0	-46.87	325.24	8.00	-38.87
O=C([O-])C[NH+]1CCC(NC2=CC(Br)=CC=C2[N+](=O)[O-])CC1	REAL300013335358	1	37	0.0	-38.61	314.27	8.75	-29.86
N#CC1=CC=C(NC2CC[NH+](CC(=O)[O-])CC2)C(C(F)(F)F)=C1	REAL300013335359	0	39	0.0	-42.31	324.62	8.85	-33.46
COC1=CC2=NC(NC3CCN(CC(=O)[O-])CC3)=[NH+]C(N)=C2C=C1OC	REAL300013335360	0	49	0.0	-60.41	377.61	5.49	-54.92
O=C([O-])C[NH+]1CCC(NC2=CC=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300013335361	1	37	0.0	-42.76	311.14	8.65	-34.11
O=C([O-])C[NH+]1CCC(NC2=NC=CC3=CC=C(F)C=C32)CC1	REAL300013335362	0	40	0.0	-36.84	316.87	9.16	-27.68
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CCOC(=O)C1=CN=C(NC2CC[NH+](CC(=O)[O-])CC2)N=C1C	REAL300013335547	1	45	0.0	-38.27	355.69	9.17	-29.10
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CC1=CC=C(Cl)C2=CC=C(NC3CC[NH+](CC(=O)[O-])CC3)N=C12	REAL300013335549	0	43	0.0	-39.01	344.62	9.70	-29.31
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CC1=NC2=C([N+](=O)[O-])C=CC=C2C(NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013335557	0	45	0.0	-50.38	355.58	9.40	-40.98
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CCC1=C(NC2CCN(CC(=O)[O-])CC2)C2=CC=CC=C2[NH+]=C1C	REAL300013335564	1	49	0.0	-58.80	358.13	7.22	-51.58
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CC1=CC(C(F)(F)F)=NC(NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013335568	1	39	0.0	-36.85	323.94	8.72	-28.13
CC1=CC(Br)=CN=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300013335569	1	37	0.0	-35.70	306.73	8.11	-27.59
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COC(=O)C1=CN=C(NC2CC[NH+](CC(=O)[O-])CC2)C=C1C(F)(F)F	REAL300013335576	1	43	0.0	-43.05	349.26	7.75	-35.30
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COCC1=NC(NC2CC[NH+](CC(=O)[O-])CC2)=CC(OC)=N1	REAL300013335579	1	44	0.0	-40.29	347.07	3.54	-36.75
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CC1=C([N+](=O)[O-])C=NC(NC2CC[NH+](CC(=O)[O-])CC2)=C1Br	REAL300013335583	1	39	0.0	-38.18	330.07	8.60	-29.58
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CS(=O)(=O)C1=CC(S(N)(=O)=O)=CC=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300013335680	1	46	0.0	-53.17	377.40	0.21	-52.96
CC1=CC(NC2CC[NH+](CC(=O)[O-])CC2)=C(F)C=C1[N+](=O)[O-]	REAL300013335681	1	40	0.0	-43.71	319.36	8.53	-35.18
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COC(=O)C1=CC=C(NC2CC[NH+](CC(=O)[O-])CC2)C(C#N)=N1	REAL300013335966	1	41	0.0	-47.29	339.25	6.44	-40.85
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CN1C(=O)C(C#N)=C(NC2CC[NH+](CC(=O)[O-])CC2)N(C)C1=O	REAL300013335971	0	42	0.0	-43.94	334.47	6.78	-37.16
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CC1=CN=C(NC2CC[NH+](CC(=O)[O-])CC2)C(Br)=C1	REAL300013335975	1	37	0.0	-34.27	307.48	8.08	-26.19
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COC1=CC(C(F)(F)F)=NC(NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013335981	1	40	0.0	-37.23	334.56	6.71	-30.52
COC1=CC(F)=CC(C2=NOC(NC3CC[NH+](CC(=O)[O-])CC3)=N2)=C1	REAL300013335982	1	44	0.0	-39.07	360.25	6.00	-33.07
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COC(=O)C1=CC=NC(NC2CC[NH+](CC(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300013335989	1	42	0.0	-45.40	348.94	8.76	-36.64
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CC1=CC(NC2CC[NH+](CC(=O)[O-])CC2)=CC(C#N)=C1[N+](=O)[O-]	REAL300013335991	0	41	0.0	-48.49	339.69	9.10	-39.39
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COC1=CC(OC)=CC(C2=NOC(NC3CC[NH+](CC(=O)[O-])CC3)=N2)=C1	REAL300013335993	1	48	0.0	-41.02	383.31	5.25	-35.77
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CCC(C)OC1=CC(NC2CC[NH+](CC(=O)[O-])CC2)=NC(C)=N1	REAL300013335998	1	49	0.0	-38.22	376.16	7.23	-30.99
O=C([O-])C[NH+]1CCC(NC2=NC=CC(C3=CC=C(Br)C=C3)=N2)CC1	REAL300013335999	1	43	0.0	-37.69	360.78	11.36	-26.33
CCC(C)OC1=NC=CN=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300013336000	1	46	0.0	-36.05	356.22	6.13	-29.92
O=C([O-])C[NH+]1CCC(NC2=CC=C(C(=O)NC3CC3)C=N2)CC1	REAL300013336001	1	45	0.0	-42.62	351.91	6.27	-36.35
CC1=C(C2=CC=C(F)C=C2)N=C(NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013336002	1	44	0.0	-38.76	361.15	9.84	-28.92
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CC1=CC(C)=C2N=C(NC3CC[NH+](CC(=O)[O-])CC3)SC2=C1	REAL300013336004	1	43	0.0	-39.32	346.18	9.24	-30.08
O=C([O-])C[NH+]1CCC(NC2=CC=C(C(=O)N3CCOCC3)C=N2)CC1	REAL300013336005	1	49	0.0	-44.42	369.81	5.77	-38.65
N#CC1=CC=CC(OC2=CC=NC(NC3CC[NH+](CC(=O)[O-])CC3)=N2)=C1	REAL300013336006	1	45	0.0	-41.22	375.15	9.58	-31.64
CC1=NN2C(=N1)N=C(C)C=C2NC1CC[NH+](CC(=O)[O-])CC1	REAL300013336007	0	42	0.0	-49.62	330.02	9.65	-39.97
O=C([O-])C[NH+]1CCC(NC2=CC(C(F)F)=NC3=NC=NN32)CC1	REAL300013336008	1	39	0.0	-48.72	319.65	10.06	-38.66
CCOC(=O)C1=NN2C=C(C)N=C(NC3CC[NH+](CC(=O)[O-])CC3)C2=C1	REAL300013336009	0	49	0.0	-42.46	394.10	8.69	-33.77
CCC1=CC2=C(NC3CC[NH+](CC(=O)[O-])CC3)N=C(C)N=C2S1	REAL300013336010	0	45	0.0	-40.26	363.20	9.37	-30.89
O=C([O-])C[NH+]1CCC(NC2=CC=NC(C(=O)N3CCCC3)=C2)CC1	REAL300013336011	0	48	0.0	-43.56	365.84	7.46	-36.10
O=C([O-])C[NH+]1CCC(NC2=CC=NC(C(=O)N3CCOCC3)=C2)CC1	REAL300013336012	0	49	0.0	-43.51	371.26	5.86	-37.65
O=C([O-])C[NH+]1CCC(NC2=NC=CC3=CC(F)=C(F)C=C32)CC1	REAL300013336013	0	40	0.0	-36.10	323.51	9.25	-26.85
O=C([O-])C[NH+]1CCC(NC2=CC(Cl)=NC(C3CCCO3)=N2)CC1	REAL300013336014	1	44	0.0	-39.45	354.94	6.66	-32.79
CC1=CC=C2C(NC3CCN(CC(=O)[O-])CC3)=CC(C)=[NH+]C2=C1Cl	REAL300013336015	1	46	0.0	-54.42	363.66	7.73	-46.69
O=C([O-])C[NH+]1CCC(NC2=NC3=CC=C(Br)C=C3C(=O)N2)CC1	REAL300013336016	0	40	0.0	-40.96	339.93	8.70	-32.26
O=C([O-])C[NH+]1CCC(NC2=NC(C3=CC=CC(Cl)=C3Cl)=CS2)CC1	REAL300013336018	1	41	0.0	-40.44	367.49	10.27	-30.17
O=C([O-])C[NH+]1CCC(NC2=NC=C(Br)C3=CC=CN=C32)CC1	REAL300013336019	0	39	0.0	-37.13	326.52	7.83	-29.30
CC1=[NH+]C=CC(NC2CCN(CC(=O)[O-])CC2)=C1Br	REAL300013336020	1	37	0.0	-60.59	302.91	4.94	-55.65
O=C([O-])C[NH+]1CCC(NC2=NC=CN3N=C(C(F)(F)F)C=C23)CC1	REAL300013336021	0	40	0.0	-41.44	335.51	7.46	-33.98
CN(C1=CC=[NH+]C(NC2CCN(CC(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013336022	0	54	0.0	-56.28	395.35	10.17	-46.11
CC1=CC(N(C)C(C)C)=NC(NC2CCN(CC(=O)[O-])CC2)=[NH+]1	REAL300013336023	0	50	0.0	-52.99	374.67	8.87	-44.12
O=C([O-])C[NH+]1CCC(NC2=NC=CC(N3C=CN=C3)=N2)CC1	REAL300013336024	1	40	0.0	-41.07	320.77	10.58	-30.49
O=C([O-])C[NH+]1CCC(NC2=NC(C3=CC=CC([N+](=O)[O-])=C3)=CS2)CC1	REAL300013336025	1	43	0.0	-44.41	363.33	9.87	-34.54
CC1=CC(C)=NN1C1=CC=NC(NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013336026	1	46	0.0	-40.87	364.00	10.73	-30.14
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC2CCN(CC(=O)[O-])CC2)=[NH+]1	REAL300013336027	0	51	0.0	-55.94	396.08	10.05	-45.89
CC1=CC(N2C=CC=N2)=NC(NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013336028	1	43	0.0	-39.95	344.92	9.96	-29.99
CC1=CC(Br)=C(NC2CC[NH+](CC(=O)[O-])CC2)N=C1C	REAL300013336029	1	40	0.0	-32.45	325.06	8.61	-23.84
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CC1=CC(NC2CCN(CC(=O)[O-])CC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013336031	0	50	0.0	-57.09	374.66	8.93	-48.16
COC1=CC=CC2=C(NC3CC[NH+](CC(=O)[O-])CC3)N=CN=C12	REAL300013336032	0	43	0.0	-43.89	334.98	8.13	-35.76
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CN(C1=[NH+]C=CC(NC2CCN(CC(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013336034	0	54	0.0	-58.67	394.40	10.19	-48.48
O=C([O-])C[NH+]1CCC(NC2=NC3=CC=C(Cl)C=C3C(C3=CC=CC=C3)=N2)CC1	REAL300013336035	1	49	0.0	-35.31	400.66	13.11	-22.20
CC1=CC(NC2CC[NH+](CC(=O)[O-])CC2)=NC(N(C)C2=CC=CC=C2)=N1	REAL300013336036	1	51	0.0	-41.12	397.25	12.70	-28.42
CC1=NC(NC2CC[NH+](CC(=O)[O-])CC2)=CC(C(F)(F)F)=N1	REAL300013336037	1	39	0.0	-38.08	321.07	7.14	-30.94
NS(=O)(=O)C1=CC=C(NC2CC[NH+](CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300013336038	1	42	0.0	-49.84	341.51	3.43	-46.41
NS(=O)(=O)C1=CC(C(=O)C2CC2)=CC=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300013336039	1	49	0.0	-50.94	390.27	4.54	-46.40
CC(C)C1=CC2=C(NC3CC[NH+](CC(=O)[O-])CC3)N=CN=C2C=C1	REAL300013336040	0	48	0.0	-39.90	365.58	10.66	-29.24
NS(=O)(=O)C1=CC=C(NC2CC[NH+](CC(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300013336041	1	42	0.0	-49.87	348.66	3.08	-46.79
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NS(=O)(=O)C1=CC=C2ON=C(NC3CC[NH+](CC(=O)[O-])CC3)C2=C1	REAL300013336043	1	42	0.0	-47.05	350.73	2.82	-44.23
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CC(=O)C1=CC=C(C(F)(F)F)N=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300013336045	1	42	0.0	-37.64	345.57	8.68	-28.96
O=C([O-])C[NH+]1CCC(NC2=CC=NC(CC3=CC=C(F)C=C3)=N2)CC1	REAL300013336046	1	46	0.0	-40.54	368.91	9.80	-30.74
O=C([O-])C[NH+]1CCC(NC2=NC=NC(N3CCOCC3)=C2[N+](=O)[O-])CC1	REAL300013336047	1	48	0.0	-38.43	382.13	7.24	-31.19
COC1=CC=CC2=C(NC3CC[NH+](CC(=O)[O-])CC3)N=CC=C12	REAL300013336048	0	44	0.0	-35.89	339.41	8.48	-27.41
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O=C([O-])C[NH+]1CCC(NC2=C3C=CSC3=NC(C3=CC=CC=N3)=N2)CC1	REAL300013336079	0	45	0.0	-38.88	373.74	9.26	-29.62
CN1C(=O)C2=CC=CC(NC3CC[NH+](CC(=O)[O-])CC3)=C2C1=O	REAL300013336080	0	42	0.0	-42.91	332.60	6.59	-36.32
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CC1=CC=NC2=C(NC3CC[NH+](CC(=O)[O-])CC3)C=CN=C12	REAL300013336085	0	42	0.0	-39.80	325.53	6.78	-33.02
O=C([O-])C[NH+]1CCC(NC2=NC3=CC=CC=C3C=C2Br)CC1	REAL300013336086	1	40	0.0	-35.63	332.17	9.60	-26.03
CC1(C)CCC2=CC(C#N)=C(NC3CC[NH+](CC(=O)[O-])CC3)N=C21	REAL300013336087	1	48	0.0	-35.80	372.72	10.03	-25.77
CC1(C)CCC2=CC(C#N)=C(NC3CC[NH+](CC(=O)[O-])CC3)N=C2C1	REAL300013336089	1	51	0.0	-35.61	385.02	10.49	-25.12
CC1(C)CC2=NC(NC3CC[NH+](CC(=O)[O-])CC3)=C(C#N)C=C2C(C)(C)C1	REAL300013336090	1	57	0.0	-35.81	421.19	11.25	-24.56
O=C([O-])C[NH+]1CCC(NC2=NC=C3CCCCCC3=N2)CC1	REAL300013336092	1	46	0.0	-36.42	340.79	9.97	-26.45
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COC(F)(F)C(F)(F)C1=CC=C(NC2CC[NH+](CC(=O)[O-])CC2)N=C1	REAL300013336094	1	44	0.0	-39.69	360.39	7.04	-32.65
O=C([O-])C[NH+]1CCC(NC2=NC3=CC(Cl)=CC=C3S2)CC1	REAL300013336095	1	37	0.0	-37.77	321.74	8.59	-29.18
CC1=C(Cl)C2=NC=CC(NC3CC[NH+](CC(=O)[O-])CC3)=C2C=C1	REAL300013336096	0	43	0.0	-43.21	342.21	8.89	-34.32
CC1=CC=C2SC(NC3CC[NH+](CC(=O)[O-])CC3)=NC2=C1	REAL300013336097	1	40	0.0	-39.67	325.17	8.54	-31.13
CC1=CC=CC(C[N@@H+]2CCOC(CNC3=CC=CC(C(=O)[O-])=N3)C2)=C1	REAL300013336098	1	48	0.0	-84.09	370.97	8.40	-75.69
CC1=CC=CC(C[N@H+]2CCOC(CNC3=CC=CC(C(=O)[O-])=N3)C2)=C1	REAL300013336098	1	48	0.0	-86.39	374.92	8.79	-77.60
CC1=CC=CC(C[N@@H+]2CCOC(CNC3=CC=CC(C(=O)[O-])=N3)C2)=C1	REAL300013336101	1	48	0.0	-84.09	370.97	8.40	-75.69
CC1=CC=CC(C[N@H+]2CCOC(CNC3=CC=CC(C(=O)[O-])=N3)C2)=C1	REAL300013336101	1	48	0.0	-86.39	374.92	8.79	-77.60
CC1=CC=CC(C[N@@H+]2CCOC(CNC3=CC=CC(C(=O)[O-])=N3)C2)=C1	REAL300013336102	1	48	0.0	-84.09	370.97	8.40	-75.69
CC1=CC=CC(C[N@H+]2CCOC(CNC3=CC=CC(C(=O)[O-])=N3)C2)=C1	REAL300013336102	1	48	0.0	-86.39	374.92	8.79	-77.60
CC1=CC=CC(C[N@@H+]2CCOC(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)=C1	REAL300013336103	1	51	0.0	-110.30	403.25	10.04	-100.26
CC1=CC=CC(C[N@H+]2CCOC(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)=C1	REAL300013336103	1	51	0.0	-108.72	410.02	10.14	-98.58
O=C([O-])C1=CC=CC(NC[C@H]2CCCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300013336104	0	47	0.0	-75.71	359.89	10.70	-65.01
O=C([O-])C1=CC=CC(NC[C@H]2CCCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300013336104	1	47	0.0	-70.92	350.74	10.06	-60.86
O=C([O-])C1=CC=CN=C1NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013336105	0	47	0.0	-53.46	359.30	11.22	-42.24
O=C([O-])C1=CC=CN=C1NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013336105	1	47	0.0	-45.10	346.82	10.61	-34.49
O=C([O-])C1=CN=C(NC[C@H]2CCCC[N@@H+]2CC2=CC=CC=C2)C(Cl)=C1	REAL300013336106	0	47	0.0	-65.14	375.44	11.56	-53.58
O=C([O-])C1=CN=C(NC[C@H]2CCCC[N@H+]2CC2=CC=CC=C2)C(Cl)=C1	REAL300013336106	1	47	0.0	-62.97	366.25	10.91	-52.06
O=C([O-])C1=CC=CC(NC[C@H]2CCCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300013336107	0	47	0.0	-75.71	359.89	10.70	-65.01
O=C([O-])C1=CC=CC(NC[C@H]2CCCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300013336107	1	47	0.0	-70.92	350.74	10.06	-60.86
O=C([O-])C1=CC=CC(NC[C@H]2CCCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300013336108	0	47	0.0	-75.71	359.89	10.70	-65.01
O=C([O-])C1=CC=CC(NC[C@H]2CCCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300013336108	1	47	0.0	-70.92	350.74	10.06	-60.86
O=C([O-])C1=CC2=C(NC[C@H]3CCCC[N@@H+]3CC3=CC=CC=C3)N=CNC2=N1	REAL300013336109	0	50	0.0	-101.16	388.53	11.91	-89.25
O=C([O-])C1=CC2=C(NC[C@H]3CCCC[N@H+]3CC3=CC=CC=C3)N=CNC2=N1	REAL300013336109	1	50	0.0	-102.91	384.48	11.24	-91.67
C[N@@H+]1CCC2CN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CCC21	REAL300013336110	0	41	0.0	-99.73	316.06	8.80	-90.93
C[N@H+]1CCC2CN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CCC21	REAL300013336110	1	41	0.0	-100.03	316.23	8.84	-91.19
CC1=CC=C(C[N@@H+]2CCOC(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)C=C1	REAL300013336128	1	51	0.0	-110.14	403.25	10.05	-100.09
CC1=CC=C(C[N@H+]2CCOC(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)C=C1	REAL300013336128	1	51	0.0	-110.23	403.60	9.99	-100.24
N#CC1=CC=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013336138	0	39	0.0	-51.62	319.46	8.28	-43.34
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=CC(F)=C2)CC1	REAL300013336144	0	38	0.0	-51.11	305.10	7.97	-43.14
O=C([O-])C1=CC=CC(NC[C@@H]2CCCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300013336151	0	47	0.0	-77.66	355.40	10.02	-67.64
O=C([O-])C1=CC=CC(NC[C@@H]2CCCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300013336151	1	47	0.0	-75.72	359.73	10.69	-65.03
O=C([O-])C1=CC=CN=C1NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013336152	0	47	0.0	-44.76	346.94	10.60	-34.16
O=C([O-])C1=CC=CN=C1NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013336152	1	47	0.0	-51.46	355.90	11.24	-40.22
O=C([O-])C1=CN=C(NC[C@@H]2CCCC[N@@H+]2CC2=CC=CC=C2)C(Cl)=C1	REAL300013336153	0	47	0.0	-66.21	371.32	10.90	-55.31
O=C([O-])C1=CN=C(NC[C@@H]2CCCC[N@H+]2CC2=CC=CC=C2)C(Cl)=C1	REAL300013336153	1	47	0.0	-65.20	375.38	11.58	-53.62
O=C([O-])C1=CC=CC(NC[C@@H]2CCCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300013336154	0	47	0.0	-77.66	355.40	10.02	-67.64
O=C([O-])C1=CC=CC(NC[C@@H]2CCCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300013336154	1	47	0.0	-75.72	359.73	10.69	-65.03
O=C([O-])C1=CC=CC(NC[C@@H]2CCCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300013336155	0	47	0.0	-77.66	355.40	10.02	-67.64
O=C([O-])C1=CC=CC(NC[C@@H]2CCCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300013336155	1	47	0.0	-75.72	359.73	10.69	-65.03
O=C([O-])C1=CC2=C(NC[C@@H]3CCCC[N@@H+]3CC3=CC=CC=C3)N=CNC2=N1	REAL300013336156	0	50	0.0	-102.89	384.51	11.24	-91.65
O=C([O-])C1=CC2=C(NC[C@@H]3CCCC[N@H+]3CC3=CC=CC=C3)N=CNC2=N1	REAL300013336156	1	50	0.0	-101.14	388.45	11.89	-89.25
N#CC1=CC(F)=CC=C1N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013336158	0	39	0.0	-46.90	323.49	8.32	-38.58
CN1CC[NH+](C2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013336163	0	46	0.0	-73.35	340.21	6.03	-67.32
CN1CC[NH+](C2CCN(C3=NC=CC=C3C(=O)[O-])CC2)CC1	REAL300013336164	0	46	0.0	-58.24	340.91	6.86	-51.38
CN1CC[NH+](C2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)CC1	REAL300013336165	0	46	0.0	-65.40	358.59	6.71	-58.69
CN1CC[NH+](C2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013336166	0	46	0.0	-73.35	340.21	6.03	-67.32
CN1CC[NH+](C2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)CC1	REAL300013336167	0	46	0.0	-73.35	340.21	6.03	-67.32
CN1CC[NH+](C2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)CC1	REAL300013336168	0	49	0.0	-99.89	365.43	7.82	-92.07
C[N@@H+]1CC2=CC=CC=C2C1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013336182	0	41	0.0	-108.89	333.35	9.12	-99.77
C[N@H+]1CC2=CC=CC=C2C1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013336182	1	41	0.0	-93.58	338.10	9.71	-83.87
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=C(F)C=C2F)CC1	REAL300013336186	0	38	0.0	-51.59	308.37	7.95	-43.64
CC(C)[C@H]1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+]1C	REAL300013336194	0	43	0.0	-100.37	321.33	9.04	-91.33
CC(C)[C@H]1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+]1C	REAL300013336194	1	43	0.0	-99.38	318.49	8.70	-90.68
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC=[NH+]C4=CC=CC=C43)C2)C=N1	REAL300013336213	0	45	0.0	-57.09	353.61	8.47	-48.62
CC1=[NH+]C2=CC=C(F)C=C2C(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=C1	REAL300013336220	0	48	0.0	-65.54	383.92	9.77	-55.77
CCC1=[NH+]C(C)=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013336226	1	47	0.0	-52.80	367.29	8.56	-44.24
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(N4CCSCC4)=NC=[NH+]3)C2)C=N1	REAL300013336231	0	51	0.0	-55.86	401.57	9.40	-46.46
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(N4CCSCC4)=[NH+]C=N3)C2)C=N1	REAL300013336231	1	51	0.0	-56.84	397.93	9.24	-47.60
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(NCC4CC4)=[NH+]C=N3)C2)C=N1	REAL300013336244	0	50	0.0	-56.35	391.78	9.38	-46.97
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(NCC4CC4)=NC=[NH+]3)C2)C=N1	REAL300013336244	1	50	0.0	-53.44	394.40	9.12	-44.32
CC1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=CC=[NH+]1	REAL300013336251	0	42	0.0	-59.51	332.45	6.83	-52.68
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(N4CCCC4)=[NH+]C=N3)C2)C=N1	REAL300013336257	0	50	0.0	-55.08	382.09	8.69	-46.39
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(N4CCCC4)=NC=[NH+]3)C2)C=N1	REAL300013336257	1	50	0.0	-54.98	385.36	8.77	-46.21
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(N4CCCCC4)=[NH+]C=N3)C2)C=N1	REAL300013336258	0	53	0.0	-56.82	402.17	9.52	-47.30
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(N4CCCCC4)=NC=[NH+]3)C2)C=N1	REAL300013336258	1	53	0.0	-46.93	402.71	9.76	-37.17
CCCC1=[NH+]C2=CC=CC=C2C(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=C1	REAL300013336260	0	54	0.0	-54.51	418.22	10.60	-43.91
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC=[NH+]C=C3Cl)C2)C=N1	REAL300013336269	1	39	0.0	-65.51	331.43	7.18	-58.33
CC1=CC=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=[NH+]1	REAL300013336281	1	42	0.0	-53.35	333.45	8.28	-45.07
CC1=CC=[NH+]C(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=C1	REAL300013336315	1	42	0.0	-53.84	328.77	8.13	-45.71
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC=[NH+]C4=CC=C(Cl)C=C43)C2)C=N1	REAL300013336326	1	45	0.0	-60.44	370.70	9.01	-51.43
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(C(F)(F)F)=CC=[NH+]3)C2)C=N1	REAL300013336328	1	42	0.0	-59.19	346.56	8.47	-50.72
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N3)C2)C=N1	REAL300013336331	1	62	0.0	-47.07	460.42	11.57	-35.50
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(N4CCOCC4)=NC=[NH+]3)C2)C=N1	REAL300013336340	0	51	0.0	-55.06	393.33	7.06	-48.00
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(N4CCOCC4)=[NH+]C=N3)C2)C=N1	REAL300013336340	1	51	0.0	-56.94	388.24	7.18	-49.76
CC1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=NC(C)=[NH+]1	REAL300013336347	1	44	0.0	-53.39	346.77	7.83	-45.56
CC1=CC2=[NH+]C(N3CC(C(=O)[O-])CC(C4=CN(C)N=C4)C3)=CC(C)=C2C=C1	REAL300013336377	1	51	0.0	-48.84	396.47	10.42	-38.42
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC=[NH+]C4=CC(Cl)=CC=C43)C2)C=N1	REAL300013336404	1	45	0.0	-58.47	366.23	9.08	-49.39
CN(C)C1=[NH+]C=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013336427	0	46	0.0	-54.15	357.75	9.72	-44.43
CCC1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=NC(C)=[NH+]1	REAL300013336445	1	47	0.0	-52.59	368.21	8.56	-44.03
CN1C=C(C2CC(C(=O)[O-])CN(C3=C4SC=CC4=[NH+]C=C3)C2)C=N1	REAL300013336454	1	42	0.0	-56.99	338.37	7.08	-49.91
CC1=[NH+]C(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=C2C=CNC2=N1	REAL300013336463	0	45	0.0	-48.02	349.55	7.72	-40.30
CC1=C(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)C2=CC=CC=C2[NH+]=C1	REAL300013336465	0	48	0.0	-57.23	368.02	9.90	-47.33
CC(O)CNC1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=NC=[NH+]1	REAL300013336472	0	50	0.0	-56.74	392.44	5.31	-51.43
CC(O)CNC1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=[NH+]C=N1	REAL300013336472	1	50	0.0	-55.21	395.38	4.99	-50.22
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(N4C=CC=N4)=NC(N)=[NH+]3)C2)C=N1	REAL300013336479	0	47	0.0	-56.66	382.52	8.76	-47.90
CN(C)C1=CC=[NH+]C(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013336482	0	46	0.0	-46.88	358.68	9.38	-37.50
CN1C=C(C2CC(C(=O)[O-])CN(C3=[NH+]C=CC(N4CCOCC4)=N3)C2)C=N1	REAL300013336487	0	51	0.0	-49.36	391.85	7.81	-41.55
COC1=CC=CC2=C(N3CC(C(=O)[O-])CC(C4=CN(C)N=C4)C3)C=C(C)[NH+]=C12	REAL300013336495	1	52	0.0	-52.49	410.05	8.93	-43.56
CCC1=[NH+]C2=CC=CC=C2C(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=C1	REAL300013336506	0	51	0.0	-54.32	396.71	9.82	-44.50
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(C(F)(F)F)=CC=[NH+]3)C2)C=N1	REAL300013336509	1	42	0.0	-59.19	346.56	8.47	-50.72
CC(C)C1=[NH+]C(N(C)C)=NC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013336521	1	54	0.0	-53.90	416.79	12.69	-41.21
CC(C)C1=NC(N(C)C)=NC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=[NH+]1	REAL300013336521	1	54	0.0	-39.15	416.35	12.68	-26.47
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC=[NH+]C(N4CCCCC4)=N3)C2)C=N1	REAL300013336530	0	53	0.0	-59.82	405.90	9.61	-50.21
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC=[NH+]C=C3C(N)=O)C2)C=N1	REAL300013336538	0	43	0.0	-84.01	340.45	4.98	-79.03
CCC1=C(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)C2=CC=CC=C2[NH+]=C1C	REAL300013336540	0	54	0.0	-54.58	401.68	10.56	-44.02
CC1=CC2=CC=CC=C2C(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=[NH+]1	REAL300013336542	0	48	0.0	-46.82	374.98	10.14	-36.68
CC1=[NH+]C=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=C1Cl	REAL300013336543	0	42	0.0	-64.52	346.29	7.90	-56.62
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=C1	REAL300013336553	0	50	0.0	-61.27	402.96	9.69	-51.58
CC1=[NH+]C2=CC=CC=C2C(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=C1C	REAL300013336559	0	51	0.0	-54.24	382.84	9.92	-44.32
CC1=C2[NH+]=CC(C)=C(N3CC(C(=O)[O-])CC(C4=CN(C)N=C4)C3)C2=CC=C1	REAL300013336567	0	51	0.0	-55.17	386.08	10.66	-44.51
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC=[NH+]C=C3Br)C2)C=N1	REAL300013336568	1	39	0.0	-65.12	335.81	7.35	-57.77
CN1C=C(C2CC(C(=O)[O-])CN(C3=[NH+]C=NC(N4CCN(C)C(=O)C4)=C3)C2)C=N1	REAL300013336569	0	54	0.0	-61.99	414.75	7.63	-54.36
CN1C=C(C2CC(C(=O)[O-])CN(C3=NC=[NH+]C(N4CCN(C)C(=O)C4)=C3)C2)C=N1	REAL300013336569	1	54	0.0	-52.30	409.32	6.97	-45.33
CC1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=CC=[NH+]1	REAL300013336582	0	42	0.0	-59.51	332.45	6.83	-52.68
CCOC(=O)C1=C[NH+]=CC=C1N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013336586	1	48	0.0	-72.19	389.77	9.02	-63.17
CC1=C[NH+]=CC=C1N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013336599	0	42	0.0	-62.98	329.28	7.63	-55.35
CCCCNC1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=NC(N)=[NH+]1	REAL300013336619	0	54	0.0	-52.18	418.32	8.75	-43.43
CCCCNC1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=[NH+]C(N)=N1	REAL300013336619	1	54	0.0	-47.17	416.83	8.60	-38.57
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC=[NH+]C=C3Br)C2)C=N1	REAL300013336625	1	39	0.0	-65.12	335.81	7.35	-57.77
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(C(F)(F)F)=CC=[NH+]3)C2)C=N1	REAL300013336639	1	42	0.0	-59.19	346.56	8.47	-50.72
CN1C=C(C2CC(C(=O)[O-])CN(C3=[NH+]C=NC4=C3C3=C(C=CC=C3)N4)C2)C=N1	REAL300013336696	1	48	0.0	-56.09	381.78	10.16	-45.93
CCCC1=CC2=C(N3CC(C(=O)[O-])CC(C4=CN(C)N=C4)C3)C=C[NH+]=C2C=C1	REAL300013336700	0	54	0.0	-57.94	418.34	10.71	-47.23
CCC1=CC2=C(N3CC(C(=O)[O-])CC(C4=CN(C)N=C4)C3)C=C[NH+]=C2C=C1	REAL300013336701	0	51	0.0	-57.99	396.84	9.93	-48.06
CC(C)OC1=CC2=C(N3CC(C(=O)[O-])CC(C4=CN(C)N=C4)C3)C=C[NH+]=C2C=C1	REAL300013336704	0	55	0.0	-60.51	423.64	9.37	-51.14
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(NC4CC4)=[NH+]C=N3)C2)C=N1	REAL300013336709	0	47	0.0	-55.99	369.47	8.67	-47.32
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(NC4CC4)=NC=[NH+]3)C2)C=N1	REAL300013336709	1	47	0.0	-53.50	372.09	8.41	-45.09
CC1=[NH+]C2=CC=CC=C2C(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=C1	REAL300013336741	0	48	0.0	-55.03	375.29	9.08	-45.95
CN1C=C(C2CC(C(=O)[O-])CN(C3=C4C=CNC4=NC=[NH+]3)C2)C=N1	REAL300013336789	0	42	0.0	-57.01	332.48	7.72	-49.29
CCC1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013336805	1	53	0.0	-52.43	418.82	10.00	-42.43
CC(C)C1=[NH+]C=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013336813	1	47	0.0	-62.81	362.79	8.27	-54.54
CN1C=C(C2CC(C(=O)[O-])CN(C3=[NH+]C=CC(N4CCCC4)=N3)C2)C=N1	REAL300013336814	0	50	0.0	-52.84	387.67	9.31	-43.53
CC1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=NC=[NH+]1	REAL300013336818	1	41	0.0	-56.94	325.15	7.92	-49.02
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC=[NH+]C4=CC(F)=CC=C43)C2)C=N1	REAL300013336831	0	45	0.0	-58.70	355.94	8.67	-50.03
CC1=CC2=C(N3CC(C(=O)[O-])CC(C4=CN(C)N=C4)C3)[NH+]=CC=C2C=C1	REAL300013336849	1	48	0.0	-52.38	381.72	10.45	-41.93
CC1=CC=CC2=C(N3CC(C(=O)[O-])CC(C4=CN(C)N=C4)C3)[NH+]=CC=C12	REAL300013336850	1	48	0.0	-47.91	371.62	10.10	-37.81
CN1C=C(C2CC(C(=O)[O-])CN(C3=[NH+]C=CC(N4CCCC(C)(C)C4)=N3)C2)C=N1	REAL300013336855	0	59	0.0	-48.83	437.43	11.06	-37.77
CC1=CC(C(F)(F)F)=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=[NH+]1	REAL300013336861	0	45	0.0	-53.70	367.69	9.03	-44.67
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(NC4=CC=CC=C4)=[NH+]C=N3)C2)C=N1	REAL300013336864	1	50	0.0	-58.62	393.78	10.49	-48.13
COC1=CC2=[NH+]C=CC(N3CC(C(=O)[O-])CC(C4=CN(C)N=C4)C3)=C2C=C1OC	REAL300013336868	0	53	0.0	-60.76	412.39	7.74	-53.02
COC1=C(N)[NH+]=CN=C1N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013336891	0	44	0.0	-61.59	352.09	5.36	-56.23
COC1=C(N)N=C[NH+]=C1N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013336891	1	44	0.0	-52.66	349.32	6.16	-46.50
CN1C=C(C2CC(C(=O)[O-])CN(C3=C4SC=CC4=[NH+]C=C3)C2)C=N1	REAL300013336902	1	42	0.0	-56.99	338.37	7.08	-49.91
COC1=CC=C[NH+]=C1N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013336914	1	43	0.0	-63.45	340.88	6.79	-56.66
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC=[NH+]C(CO)=C3)C2)C=N1	REAL300013336915	0	43	0.0	-64.37	341.70	3.66	-60.71
CC1=CC=C2C(N3CC(C(=O)[O-])CC(C4=CN(C)N=C4)C3)=CC(C)=[NH+]C2=C1Cl	REAL300013336952	0	51	0.0	-49.71	407.89	10.18	-39.53
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013336956	0	53	0.0	-54.63	415.45	10.41	-44.22
CC1=NC(NC2=CC=CC=C2)=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=[NH+]1	REAL300013336956	1	53	0.0	-49.44	413.90	10.28	-39.16
CC1=[NH+]C=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=C1Br	REAL300013336959	0	42	0.0	-63.62	349.98	7.99	-55.63
CN(C)C1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=NC=[NH+]1	REAL300013336961	0	46	0.0	-55.57	355.58	8.83	-46.74
CN(C)C1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=[NH+]C=N1	REAL300013336961	1	46	0.0	-53.50	359.81	8.73	-44.77
CN(C1=CC=[NH+]C(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1)C1CCCCC1	REAL300013336962	0	59	0.0	-45.84	437.82	12.62	-33.22
CC1=CC(N(C)C(C)C)=NC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=[NH+]1	REAL300013336963	0	55	0.0	-43.15	417.07	11.34	-31.81
CC1=CC(N2C=CC=N2)=NC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=[NH+]1	REAL300013336966	1	48	0.0	-43.80	385.98	10.56	-33.24
CC1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013336969	0	55	0.0	-49.99	417.24	11.79	-38.20
CN(C1=[NH+]C=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1)C1CCCCC1	REAL300013336972	0	59	0.0	-53.68	437.33	13.09	-40.59
CC1=CC=CC2=CC=[NH+]C(N3CC(C(=O)[O-])CC(C4=CN(C)N=C4)C3)=C12	REAL300013337005	1	48	0.0	-51.86	373.78	11.74	-40.12
CC1=[NH+]C(N)=NC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=N1	REAL300013337012	0	42	0.0	-58.51	337.69	8.51	-50.00
CC1=NC(N)=NC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=[NH+]1	REAL300013337012	1	42	0.0	-43.19	336.72	8.52	-34.67
CC1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=NC=[NH+]1	REAL300013337020	1	41	0.0	-56.94	325.15	7.92	-49.02
CN1C=C(C2CC(C(=O)[O-])CN(C3=CC(CO)=CC=[NH+]3)C2)C=N1	REAL300013337030	1	43	0.0	-57.33	343.99	4.57	-52.76
CN1C=C(C2CC(C(=O)[O-])CN(C3=C4C=CNC4=NC(C4CC4)=[NH+]3)C2)C=N1	REAL300013337034	0	49	0.0	-47.35	388.45	10.08	-37.27
CN(C)C1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=NC(N(C)C)=[NH+]1	REAL300013337040	1	54	0.0	-49.56	410.15	11.16	-38.40
CN(C)C1=CC(N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=[NH+]C(N(C)C)=N1	REAL300013337040	1	54	0.0	-47.47	415.33	10.87	-36.60
CC1=C(Cl)C2=[NH+]C=CC(N3CC(C(=O)[O-])CC(C4=CN(C)N=C4)C3)=C2C=C1	REAL300013337047	1	48	0.0	-55.01	393.44	10.09	-44.92
O=C([O-])[C@@H]1CCCN(C2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013337055	0	41	0.0	-49.10	319.30	8.15	-40.95
O=C([O-])[C@@H]1CCCN(C2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013337055	1	41	0.0	-61.25	320.24	7.86	-53.39
O=C([O-])[C@@H]1CCCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013337060	0	47	0.0	-48.66	351.61	5.55	-43.11
O=C([O-])[C@@H]1CCCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013337060	1	47	0.0	-60.95	351.15	5.54	-55.41
COC1=CC2=NC(N3CCC[C@@H](C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013337077	0	44	0.0	-63.87	342.45	6.60	-57.27
O=C([O-])[C@@H]1CCCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C1	REAL300013337084	0	38	0.0	-61.87	309.91	8.21	-53.66
CC(C)(C)C1=CC(N2CCC[C@@H](C(=O)[O-])C2)=NC(C(C)(C)C)=[NH+]1	REAL300013337090	1	52	0.0	-53.74	382.76	10.19	-43.55
CC1=CC(N2CCC[C@@H](C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013337098	1	43	0.0	-64.80	354.07	9.87	-54.93
O=C([O-])[C@@H]1CCCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1	REAL300013337127	1	35	0.0	-59.72	292.61	7.81	-51.91
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCC[C@@H](C(=O)[O-])C2)=C1C	REAL300013337149	0	41	0.0	-58.92	327.37	9.19	-49.73
COC1=CC=CC2=C(N3CCC[C@@H](C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013337175	1	42	0.0	-50.78	321.04	7.21	-43.57
CCOC(=O)C1=C(N2CCC[C@@H](C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013337176	1	47	0.0	-67.17	369.63	8.16	-59.01
CCOC(=O)C1=C(N2CCC[C@@H](C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013337177	1	50	0.0	-60.53	378.40	10.82	-49.71
O=C([O-])[C@@H]1CCCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013337196	0	47	0.0	-46.93	352.19	4.89	-42.04
O=C([O-])[C@@H]1CCCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013337196	1	47	0.0	-57.64	352.34	5.04	-52.60
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013337200	0	40	0.0	-65.11	327.51	8.94	-56.17
CN1CCN(C2=CC(N3CCC[C@@H](C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013337208	0	44	0.0	-53.93	334.21	5.70	-48.23
CN1CCN(C2=CC(N3CCC[C@@H](C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013337208	1	44	0.0	-68.50	336.26	6.22	-62.28
CC(C)C1OCCCC1NC1=CC(N2CCC[C@@H](C(=O)[O-])C2)=NC=[NH+]1	REAL300013337216	0	53	0.0	-59.60	389.34	9.18	-50.42
CC(C)C1OCCCC1NC1=CC(N2CCC[C@@H](C(=O)[O-])C2)=[NH+]C=N1	REAL300013337216	1	53	0.0	-47.56	389.01	8.82	-38.74
O=C([O-])[C@@H]1CCCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C1	REAL300013337234	0	46	0.0	-68.18	360.90	10.07	-58.11
O=C([O-])[C@@H]1CCCN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013337240	1	42	0.0	-45.98	339.52	10.15	-35.83
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013337255	0	47	0.0	-53.36	367.05	7.70	-45.66
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013337255	1	47	0.0	-50.67	368.14	7.76	-42.91
CC(C)NC1=NC(NCCO)=NC(N2CCC[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013337255	1	47	0.0	-50.23	367.49	7.74	-42.49
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013337265	0	49	0.0	-49.66	366.93	11.64	-38.02
CCNC1=NC(NC(C)(C)C)=NC(N2CCC[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013337265	1	49	0.0	-49.46	369.32	11.97	-37.49
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013337265	1	49	0.0	-46.54	365.82	11.67	-34.87
CC(O)C1CCN(C2=CC(N3CCC[C@@H](C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013337296	0	47	0.0	-48.29	349.68	5.60	-42.69
CC(O)C1CCN(C2=CC(N3CCC[C@@H](C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013337296	1	47	0.0	-58.48	351.29	5.57	-52.91
CC(C)OC1=CC2=C(N3CCC[C@@H](C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013337301	0	45	0.0	-61.68	346.83	8.53	-53.15
C[NH+](C)CC1=NC(N2CCC[C@@H](C(=O)[O-])C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013337406	1	52	0.0	-60.13	413.03	12.60	-47.53
O=C([O-])[C@@H]1CCCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013337407	1	35	0.0	-60.89	298.96	8.30	-52.59
CCOC1=CC2=[NH+]C=CC(N3CCC[C@@H](C(=O)[O-])C3)=C2C=C1OCC	REAL300013337422	0	49	0.0	-62.35	373.46	8.28	-54.07
CCC1=CC(N2CCC[C@@H](C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013337424	1	43	0.0	-61.59	341.10	8.63	-52.96
COC1=CC2=[NH+]C=CC(N3CCC[C@@H](C(=O)[O-])C3)=C2C=C1Br	REAL300013337455	0	39	0.0	-65.08	321.15	7.19	-57.89
CC1(C)CCCN(C2=CC=[NH+]C(N3CCC[C@@H](C(=O)[O-])C3)=N2)C1	REAL300013337463	0	49	0.0	-55.42	359.82	9.34	-46.08
CC1=CC2=C(N3CCC[C@@H](C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013337468	0	48	0.0	-53.30	357.05	10.55	-42.75
COC1=CC2=[NH+]C=CC(N3CCC[C@@H](C(=O)[O-])C3)=C2C=C1OC	REAL300013337473	0	43	0.0	-62.40	329.75	6.44	-55.96
O=C([O-])[C@@H]1CCCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013337492	0	44	0.0	-56.99	345.43	9.12	-47.87
CC1=CC=C2C(N3CCC[C@@H](C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013337508	0	41	0.0	-49.10	325.63	8.92	-40.18
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013337511	0	43	0.0	-54.97	339.01	9.39	-45.58
CC1=NC(NC2=CC=CC=C2)=CC(N2CCC[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013337511	1	43	0.0	-42.58	335.66	8.90	-33.68
CN(C1=CC=[NH+]C(N2CCC[C@@H](C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013337515	0	49	0.0	-52.45	360.95	10.46	-41.99
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013337518	0	46	0.0	-59.29	360.86	11.14	-48.15
CN(C1=[NH+]C=CC(N2CCC[C@@H](C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013337521	0	49	0.0	-64.45	359.64	11.73	-52.72
CC1=CC(N2CCC[C@@H](C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013337523	1	46	0.0	-56.57	362.78	11.90	-44.67
O=C([O-])[C@@H]1CCCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013337557	0	39	0.0	-61.42	317.24	6.99	-54.43
CC1=C(Cl)C2=[NH+]C=CC(N3CCC[C@@H](C(=O)[O-])C3)=C2C=C1	REAL300013337563	1	38	0.0	-53.37	304.40	8.36	-45.01
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013337569	1	48	0.0	-84.08	376.28	8.87	-75.21
CC1=CC=CC=C1C[N@H+]1CCOC(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013337569	1	48	0.0	-85.40	369.51	8.77	-76.63
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC2=NC=CC=C2C(=O)[O-])C1	REAL300013337570	1	48	0.0	-65.40	372.32	9.43	-55.97
CC1=CC=CC=C1C[N@H+]1CCOC(CNC2=NC=CC=C2C(=O)[O-])C1	REAL300013337570	1	48	0.0	-65.50	365.54	9.32	-56.18
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013337571	1	48	0.0	-71.26	382.80	9.30	-61.96
CC1=CC=CC=C1C[N@H+]1CCOC(CNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013337571	1	48	0.0	-70.50	385.52	9.58	-60.92
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013337572	1	48	0.0	-84.08	376.28	8.87	-75.21
CC1=CC=CC=C1C[N@H+]1CCOC(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013337572	1	48	0.0	-85.40	369.51	8.77	-76.63
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013337573	1	48	0.0	-84.08	376.28	8.87	-75.21
CC1=CC=CC=C1C[N@H+]1CCOC(CNC2=CC=CC(C(=O)[O-])=N2)C1	REAL300013337573	1	48	0.0	-85.40	369.51	8.77	-76.63
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013337574	1	51	0.0	-107.76	404.96	10.08	-97.68
CC1=CC=CC=C1C[N@H+]1CCOC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013337574	1	51	0.0	-107.82	404.62	10.14	-97.68
C[NH+](C)C1(C)CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013337585	0	43	0.0	-68.02	320.95	8.63	-59.39
C[NH+](C)C1(C)CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013337586	0	46	0.0	-94.06	334.12	8.96	-85.10
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(F)(C2=CC=CC=C2)C1	REAL300013337588	0	39	0.0	-57.80	311.84	10.41	-47.39
CC1=CC=C(C(=O)NC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013337604	0	46	0.0	-50.87	367.50	9.14	-41.73
CC1=CC=CC(C(=O)NC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1	REAL300013337610	0	46	0.0	-51.26	367.46	9.14	-42.12
CC1=CC=C(C[N@@H+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)C=C1	REAL300013337646	0	44	0.0	-79.66	350.96	9.78	-69.88
CC1=CC=C(C[N@H+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)C=C1	REAL300013337646	1	44	0.0	-80.34	351.38	9.82	-70.52
CC1=CC=C(C[N@@H+]2CCC(NC3=NC=CC=C3C(=O)[O-])C2)C=C1	REAL300013337647	0	44	0.0	-56.36	348.09	10.49	-45.87
CC1=CC=C(C[N@H+]2CCC(NC3=NC=CC=C3C(=O)[O-])C2)C=C1	REAL300013337647	1	44	0.0	-56.12	347.92	10.44	-45.68
CC1=CC=C(C[N@@H+]2CCC(NC3=NC=C(C(=O)[O-])C=C3Cl)C2)C=C1	REAL300013337648	0	44	0.0	-70.30	367.53	10.75	-59.55
CC1=CC=C(C[N@H+]2CCC(NC3=NC=C(C(=O)[O-])C=C3Cl)C2)C=C1	REAL300013337648	1	44	0.0	-69.50	365.06	10.65	-58.85
CC1=CC=C(C[N@@H+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)C=C1	REAL300013337649	0	44	0.0	-79.66	350.96	9.78	-69.88
CC1=CC=C(C[N@H+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)C=C1	REAL300013337649	1	44	0.0	-80.34	351.38	9.82	-70.52
CC1=CC=C(C[N@@H+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)C=C1	REAL300013337650	0	44	0.0	-79.66	350.96	9.78	-69.88
CC1=CC=C(C[N@H+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)C=C1	REAL300013337650	1	44	0.0	-80.34	351.38	9.82	-70.52
CC1=CC=C(C[N@@H+]2CCC(NC3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)C=C1	REAL300013337651	0	47	0.0	-105.37	380.81	11.14	-94.23
CC1=CC=C(C[N@H+]2CCC(NC3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)C=C1	REAL300013337651	1	47	0.0	-105.35	380.46	11.11	-94.24
CC1=C(Cl)C=CC2=C1CN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013337657	0	36	0.0	-38.69	287.74	9.03	-29.66
CO[C@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)N(C2=CC(C)=[NH+]C=N2)C1	REAL300013337676	1	46	0.0	-62.65	368.42	7.04	-55.61
CO[C@H]1C[C@@H](CNC2=NC=C(C(=O)[O-])C=C2Cl)N(C2=CC(C)=[NH+]C=N2)C1	REAL300013337678	1	46	0.0	-59.92	385.06	6.86	-53.06
CO[C@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)N(C2=CC(C)=[NH+]C=N2)C1	REAL300013337679	1	46	0.0	-62.65	368.42	7.04	-55.61
CO[C@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)N(C2=CC(C)=[NH+]C=N2)C1	REAL300013337680	1	46	0.0	-62.65	368.42	7.04	-55.61
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013337682	0	50	0.0	-80.62	377.69	12.28	-68.34
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013337682	1	50	0.0	-80.63	368.21	11.76	-68.87
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NC=CC=C1C(=O)[O-]	REAL300013337683	0	50	0.0	-40.27	367.45	13.04	-27.23
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NC=CC=C1C(=O)[O-]	REAL300013337683	1	50	0.0	-52.45	365.94	11.42	-41.03
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013337684	0	50	0.0	-61.82	393.31	11.91	-49.91
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013337684	1	50	0.0	-60.78	382.83	11.31	-49.47
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013337685	0	50	0.0	-80.62	377.69	12.28	-68.34
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013337685	1	50	0.0	-80.63	368.21	11.76	-68.87
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013337686	0	50	0.0	-80.62	377.69	12.28	-68.34
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013337686	1	50	0.0	-80.63	368.21	11.76	-68.87
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013337687	0	53	0.0	-103.69	403.15	13.13	-90.56
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013337687	1	53	0.0	-103.13	392.68	12.52	-90.61
CC(C)CN(CC1CC[NH+](C)CC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013337693	0	49	0.0	-80.92	359.95	10.59	-70.33
CC(C)CN(CC1CC[NH+](C)CC1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013337694	0	49	0.0	-65.98	373.21	10.44	-55.54
CC(C)CN(CC1CC[NH+](C)CC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013337695	0	49	0.0	-80.92	359.95	10.59	-70.33
CC(C)CN(CC1CC[NH+](C)CC1)C1=CC=CC(C(=O)[O-])=N1	REAL300013337696	0	49	0.0	-80.92	359.95	10.59	-70.33
CC(C)CN(CC1CC[NH+](C)CC1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013337697	0	52	0.0	-95.65	393.10	11.06	-84.59
O=C([O-])[C@H]1CCCN(C2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013337704	0	41	0.0	-47.97	318.16	8.13	-39.84
O=C([O-])[C@H]1CCCN(C2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013337704	1	41	0.0	-61.00	320.33	7.85	-53.15
O=C([O-])[C@H]1CCCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013337709	0	47	0.0	-54.81	355.07	5.19	-49.62
O=C([O-])[C@H]1CCCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013337709	1	47	0.0	-62.25	352.58	5.04	-57.21
COC1=CC2=NC(N3CCC[C@H](C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013337726	0	44	0.0	-63.79	342.53	6.60	-57.19
O=C([O-])[C@H]1CCCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C1	REAL300013337733	0	38	0.0	-55.14	309.45	8.19	-46.95
CC(C)(C)C1=CC(N2CCC[C@H](C(=O)[O-])C2)=NC(C(C)(C)C)=[NH+]1	REAL300013337739	1	52	0.0	-53.62	382.83	10.18	-43.44
CC1=CC(N2CCC[C@H](C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013337747	1	43	0.0	-69.32	352.78	10.34	-58.98
O=C([O-])[C@H]1CCCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1	REAL300013337776	1	35	0.0	-53.26	292.16	7.79	-45.47
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCC[C@H](C(=O)[O-])C2)=C1C	REAL300013337798	0	41	0.0	-58.32	326.95	9.17	-49.15
COC1=CC=CC2=C(N3CCC[C@H](C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013337824	1	42	0.0	-48.95	326.64	7.66	-41.29
CCOC(=O)C1=C(N2CCC[C@H](C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013337825	1	47	0.0	-67.31	368.49	8.13	-59.18
CCOC(=O)C1=C(N2CCC[C@H](C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013337826	1	50	0.0	-59.66	377.24	10.79	-48.87
O=C([O-])[C@H]1CCCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013337845	0	47	0.0	-52.70	354.03	5.01	-47.69
O=C([O-])[C@H]1CCCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013337845	1	47	0.0	-59.16	354.01	4.57	-54.59
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013337849	0	40	0.0	-64.29	326.35	8.90	-55.39
CN1CCN(C2=CC(N3CCC[C@H](C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013337857	0	44	0.0	-54.42	333.54	5.70	-48.72
CN1CCN(C2=CC(N3CCC[C@H](C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013337857	1	44	0.0	-56.47	333.07	5.09	-51.38
CC(C)C1OCCCC1NC1=CC(N2CCC[C@H](C(=O)[O-])C2)=NC=[NH+]1	REAL300013337865	0	53	0.0	-61.57	391.32	8.96	-52.61
CC(C)C1OCCCC1NC1=CC(N2CCC[C@H](C(=O)[O-])C2)=[NH+]C=N1	REAL300013337865	1	53	0.0	-52.40	392.49	8.46	-43.94
O=C([O-])[C@H]1CCCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C1	REAL300013337883	0	46	0.0	-62.80	365.78	10.51	-52.29
O=C([O-])[C@H]1CCCN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013337889	1	42	0.0	-44.63	339.06	10.13	-34.50
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013337904	0	47	0.0	-54.82	369.61	6.90	-47.92
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013337904	1	47	0.0	-50.84	367.43	7.75	-43.09
CC(C)NC1=NC(NCCO)=NC(N2CCC[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013337904	1	47	0.0	-50.22	366.78	7.73	-42.49
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013337914	0	49	0.0	-51.73	369.27	10.86	-40.87
CCNC1=NC(NC(C)(C)C)=NC(N2CCC[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013337914	1	49	0.0	-43.90	370.98	11.22	-32.68
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013337914	1	49	0.0	-48.54	370.23	12.05	-36.49
CC(O)C1CCN(C2=CC(N3CCC[C@H](C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013337945	0	47	0.0	-50.24	354.48	5.34	-44.90
CC(O)C1CCN(C2=CC(N3CCC[C@H](C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013337945	1	47	0.0	-59.25	352.16	4.87	-54.38
CC(C)OC1=CC2=C(N3CCC[C@H](C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013337950	0	45	0.0	-60.98	346.12	8.51	-52.47
C[NH+](C)CC1=NC(N2CCC[C@H](C(=O)[O-])C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013338055	1	52	0.0	-62.36	413.71	12.67	-49.69
O=C([O-])[C@H]1CCCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013338056	1	35	0.0	-60.19	298.27	8.28	-51.91
CCOC1=CC2=[NH+]C=CC(N3CCC[C@H](C(=O)[O-])C3)=C2C=C1OCC	REAL300013338071	0	49	0.0	-58.93	379.12	8.74	-50.19
CCC1=CC(N2CCC[C@H](C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013338073	1	43	0.0	-61.56	341.23	8.61	-52.95
COC1=CC2=[NH+]C=CC(N3CCC[C@H](C(=O)[O-])C3)=C2C=C1Br	REAL300013338104	0	39	0.0	-60.56	326.76	7.65	-52.91
CC1(C)CCCN(C2=CC=[NH+]C(N3CCC[C@H](C(=O)[O-])C3)=N2)C1	REAL300013338112	0	49	0.0	-53.74	359.87	9.32	-44.42
CC1=CC2=C(N3CCC[C@H](C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013338117	0	48	0.0	-52.78	355.92	10.52	-42.26
COC1=CC2=[NH+]C=CC(N3CCC[C@H](C(=O)[O-])C3)=C2C=C1OC	REAL300013338122	0	43	0.0	-55.74	329.46	6.41	-49.33
O=C([O-])[C@H]1CCCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013338141	0	44	0.0	-57.40	345.48	9.11	-48.29
CC1=CC=C2C(N3CCC[C@H](C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013338157	0	41	0.0	-47.62	331.32	9.39	-38.23
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013338160	0	43	0.0	-52.03	339.55	9.05	-42.98
CC1=NC(NC2=CC=CC=C2)=CC(N2CCC[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013338160	1	43	0.0	-47.02	339.13	8.55	-38.47
CN(C1=CC=[NH+]C(N2CCC[C@H](C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013338164	0	49	0.0	-58.37	359.55	11.25	-47.12
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013338167	0	46	0.0	-60.68	360.91	11.12	-49.56
CN(C1=[NH+]C=CC(N2CCC[C@H](C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013338170	0	49	0.0	-64.24	359.69	11.71	-52.53
CC1=CC(N2CCC[C@H](C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013338172	1	46	0.0	-55.89	362.85	11.88	-44.01
O=C([O-])[C@H]1CCCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013338206	0	39	0.0	-54.29	316.80	6.97	-47.32
CC1=C(Cl)C2=[NH+]C=CC(N3CCC[C@H](C(=O)[O-])C3)=C2C=C1	REAL300013338212	1	38	0.0	-51.44	310.02	8.81	-42.63
O=C([O-])C1=CC=CC(N2CC[NH+](CCC3=CN=CC=N3)CC2)=N1	REAL300013338213	1	42	0.0	-75.72	335.97	6.33	-69.39
O=C([O-])C1=CC=CN=C1N1CC[NH+](CCC2=CN=CC=N2)CC1	REAL300013338214	1	42	0.0	-60.05	336.34	7.21	-52.84
O=C([O-])C1=CC=CC(N2CC[NH+](CCC3=CN=CC=N3)CC2)=N1	REAL300013338216	1	42	0.0	-75.72	335.97	6.33	-69.39
O=C([O-])C1=CC=CC(N2CC[NH+](CCC3=CN=CC=N3)CC2)=N1	REAL300013338217	1	42	0.0	-75.72	335.97	6.33	-69.39
O=C([O-])C1=CC2=C(N3CC[NH+](CCC4=CN=CC=N4)CC3)N=CNC2=N1	REAL300013338218	1	45	0.0	-106.15	360.65	8.10	-98.05
COC1=CC=CC=C1C1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013338234	0	46	0.0	-54.77	350.62	10.67	-44.10
CN1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC2=CC=C[NH+]=C21	REAL300013338239	1	37	0.0	-57.89	305.11	5.66	-52.23
CN1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC2=CC=C[NH+]=C21	REAL300013338240	1	40	0.0	-98.41	316.87	8.28	-90.13
NS(=O)(=O)C1=CC=CC2=C1CCN(C1=[NH+]C=CC=C1C(=O)[O-])C2	REAL300013338242	0	38	0.0	-63.23	315.00	4.12	-59.11
CCOC(=O)C1=C(C)N=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)S1	REAL300013338250	0	47	0.0	-52.59	390.27	9.86	-42.73
CC1=NC(C2CC3CCC(C2)N3C2=[NH+]C=CC=C2C(=O)[O-])=NO1	REAL300013338258	0	41	0.0	-58.36	313.68	6.79	-51.57
CN1C=C(C2CC3CCC(C2)N3C2=[NH+]C=CC=C2C(=O)[O-])C=N1	REAL300013338266	0	43	0.0	-49.13	297.79	5.59	-43.54
COC1=CC=CC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1	REAL300013338276	0	42	0.0	-49.91	328.19	7.20	-42.71
COC(=O)CCN(CC(=O)[O-])C1=CC(C)=[NH+]C2=CC=C(F)C=C21	REAL300013338300	0	40	0.0	-47.86	332.05	8.08	-39.78
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013338307	0	43	0.0	-52.65	357.13	9.43	-43.22
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013338307	1	43	0.0	-44.68	356.13	9.73	-34.95
COC(=O)CCN(CC(=O)[O-])C1=CC(NCC2CC2)=[NH+]C=N1	REAL300013338316	0	42	0.0	-51.21	350.97	9.57	-41.64
COC(=O)CCN(CC(=O)[O-])C1=CC(NCC2CC2)=NC=[NH+]1	REAL300013338316	1	42	0.0	-44.14	349.00	9.46	-34.68
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCCC2)=[NH+]C=N1	REAL300013338327	0	42	0.0	-49.54	341.28	8.88	-40.66
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCCC2)=NC=[NH+]1	REAL300013338327	1	42	0.0	-45.89	339.12	9.18	-36.71
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCCCC2)=[NH+]C=N1	REAL300013338328	0	45	0.0	-51.40	356.41	9.81	-41.59
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCCCC2)=NC=[NH+]1	REAL300013338328	1	45	0.0	-43.18	356.80	9.85	-33.33
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013338329	0	49	0.0	-52.28	388.03	7.11	-45.17
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013338329	1	49	0.0	-45.60	388.45	7.13	-38.47
CCCC1=[NH+]C2=CC=CC=C2C(N(CCC(=O)OC)CC(=O)[O-])=C1	REAL300013338330	0	46	0.0	-53.77	374.54	9.75	-44.02
COC(=O)CCN(CC(=O)[O-])C1=NC2=CC(OC)=C(OC)C=C2C(N)=[NH+]1	REAL300013338360	0	46	0.0	-44.58	379.51	8.56	-36.02
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013338373	0	40	0.0	-47.17	343.15	8.41	-38.76
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C2=CC=C(Cl)C=C21	REAL300013338386	1	37	0.0	-49.56	321.26	7.93	-41.63
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCOCC2)=[NH+]C=N1	REAL300013338398	0	43	0.0	-51.10	347.44	7.36	-43.74
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCOCC2)=NC=[NH+]1	REAL300013338398	1	43	0.0	-46.44	347.87	7.39	-39.05
COC(=O)CCN(CC(=O)[O-])C1=[NH+]C2=CC(C)=CC=C2C(C)=C1	REAL300013338421	1	43	0.0	-38.25	350.92	10.91	-27.34
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C2=CC(Cl)=CC=C21	REAL300013338439	1	37	0.0	-45.43	321.31	7.92	-37.51
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013338453	1	37	0.0	-45.65	325.84	8.02	-37.63
CCOC(=O)C1=C(N(CCC(=O)OC)CC(=O)[O-])C2=CC(C)=CC(C)=C2[NH+]=C1	REAL300013338469	1	52	0.0	-50.17	407.66	9.86	-40.31
COC(=O)CCN(CC(=O)[O-])C1=C(C)C(C)=[NH+]C2=CC=C(Br)C=C21	REAL300013338484	0	43	0.0	-60.05	359.05	9.03	-51.02
COC(=O)CCN(CC(=O)[O-])C1=C(C)C=[NH+]C2=CC=CC=C21	REAL300013338497	0	40	0.0	-58.76	319.89	7.88	-50.88
COC(=O)CCN(CC(=O)[O-])C1=CC(NCC(C)O)=[NH+]C=N1	REAL300013338507	1	42	0.0	-50.50	351.63	5.52	-44.98
COC(=O)CCN(CC(=O)[O-])C1=CC(N2C=CC=N2)=NC(N)=[NH+]1	REAL300013338517	1	39	0.0	-47.18	336.71	9.06	-38.12
COC(=O)CCN(CC(=O)[O-])C1=[NH+]C=CC(N2CCOCC2)=N1	REAL300013338523	0	43	0.0	-44.05	350.04	8.31	-35.74
COC(=O)CCN(CC(=O)[O-])C1=CC(C)=[NH+]C2=C(OC)C=CC=C12	REAL300013338528	1	44	0.0	-39.70	354.06	7.43	-32.27
CCOC(=O)C1=C(N(CCC(=O)OC)CC(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013338529	1	52	0.0	-50.04	405.34	9.96	-40.08
CCC1=[NH+]C2=CC=CC=C2C(N(CCC(=O)OC)CC(=O)[O-])=C1	REAL300013338540	0	43	0.0	-42.00	347.08	8.74	-33.26
COC(=O)CCN(CC(=O)[O-])C1=NC(C(C)C)=[NH+]C(N(C)C)=N1	REAL300013338554	1	46	0.0	-47.67	375.20	13.39	-34.28
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C(N2CCCCC2)=N1	REAL300013338560	0	45	0.0	-53.68	358.71	10.36	-43.32
CCC1=C(N(CCC(=O)OC)CC(=O)[O-])C2=CC=CC=C2[NH+]=C1C	REAL300013338571	0	46	0.0	-57.20	358.29	9.14	-48.06
COC(=O)CCN(CC(=O)[O-])C1=[NH+]C(C)=CC2=CC=CC=C21	REAL300013338573	1	40	0.0	-37.30	325.48	8.78	-28.52
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013338579	0	49	0.0	-52.48	389.92	6.62	-45.86
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013338579	1	49	0.0	-39.64	381.50	6.09	-33.55
COC(=O)CCN(CC(=O)[O-])C1=CC(C)=[NH+]C2=CC=C([N+](=O)[O-])C=C21	REAL300013338583	0	42	0.0	-70.12	359.66	8.89	-61.23
COC(=O)CCN(CC(=O)[O-])C1=C(C)C(C)=[NH+]C2=CC=CC=C21	REAL300013338589	0	43	0.0	-56.40	337.79	8.43	-47.97
COC(=O)CCN(CC(=O)[O-])C1=C(C)C=[NH+]C2=C(C)C=CC=C21	REAL300013338596	0	43	0.0	-44.49	333.33	8.57	-35.92
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C=C1Br	REAL300013338598	1	31	0.0	-47.09	277.56	5.67	-41.42
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1	REAL300013338599	0	46	0.0	-50.22	368.51	7.17	-43.05
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1	REAL300013338599	1	46	0.0	-53.35	373.41	7.84	-45.51
COC(=O)CCN(CC(=O)[O-])C1=CC(NC2CCCOC2C(C)C)=[NH+]C=N1	REAL300013338611	1	55	0.0	-51.53	427.54	10.72	-40.81
CCOC(=O)C1=C[NH+]=CC=C1N(CCC(=O)OC)CC(=O)[O-]	REAL300013338613	1	40	0.0	-55.86	330.99	7.63	-48.23
COC(=O)CCN(CC(=O)[O-])C1=C(C)C=[NH+]C2=C(OC)C=CC=C21	REAL300013338622	1	44	0.0	-40.52	342.90	7.20	-33.32
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013338634	0	48	0.0	-51.48	393.65	10.19	-41.29
CCCCNC1=CC(N(CCC(=O)OC)CC(=O)[O-])=NC(N)=[NH+]1	REAL300013338647	0	46	0.0	-49.80	377.46	8.95	-40.85
CCCCNC1=CC(N(CCC(=O)OC)CC(=O)[O-])=[NH+]C(N)=N1	REAL300013338647	1	46	0.0	-40.52	375.47	8.82	-31.70
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C=C1Br	REAL300013338655	1	31	0.0	-47.09	277.56	5.67	-41.42
COC(=O)CCN(CC(=O)[O-])C1=NC(NCCO)=[NH+]C(NC(C)C)=N1	REAL300013338660	0	49	0.0	-50.01	404.99	9.76	-40.25
COC(=O)CCN(CC(=O)[O-])C1=[NH+]C(NCCO)=NC(NC(C)C)=N1	REAL300013338660	1	49	0.0	-34.92	405.23	9.74	-25.18
COC(=O)CCN(CC(=O)[O-])C1=NC(NCCO)=NC(NC(C)C)=[NH+]1	REAL300013338660	1	49	0.0	-36.60	404.58	9.72	-26.88
CCNC1=[NH+]C(NC(C)(C)C)=NC(N(CCC(=O)OC)CC(=O)[O-])=N1	REAL300013338675	0	51	0.0	-46.14	404.66	13.69	-32.45
CCNC1=NC(NC(C)(C)C)=NC(N(CCC(=O)OC)CC(=O)[O-])=[NH+]1	REAL300013338675	1	51	0.0	-34.44	406.42	13.96	-20.48
CCNC1=NC(NC(C)(C)C)=[NH+]C(N(CCC(=O)OC)CC(=O)[O-])=N1	REAL300013338675	1	51	0.0	-34.97	408.03	14.05	-20.92
COC(=O)CCN(CC(=O)[O-])C1=CC(N(C)C2=CC=CC=C2)=[NH+]C=N1	REAL300013338697	1	45	0.0	-46.58	376.58	12.45	-34.13
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C2=CC(F)=C(Cl)C=C21	REAL300013338722	1	37	0.0	-48.80	325.67	7.85	-40.95
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1	REAL300013338723	0	49	0.0	-53.55	389.20	6.90	-46.65
COC(=O)CCN(CC(=O)[O-])C1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1	REAL300013338723	1	49	0.0	-44.32	385.87	7.48	-36.84
CCCC1=CC2=C(N(CCC(=O)OC)CC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013338730	0	46	0.0	-45.88	367.50	9.49	-36.39
CCC1=CC2=C(N(CCC(=O)OC)CC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013338731	0	43	0.0	-46.63	347.39	8.84	-37.79
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C2=CC=C(OC(C)C)C=C21	REAL300013338734	0	47	0.0	-50.87	372.47	8.13	-42.74
COC(=O)CCN(CC(=O)[O-])C1=CC(C)=[NH+]C2=CC=CC=C21	REAL300013338791	0	40	0.0	-41.19	324.58	7.81	-33.38
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013338858	1	37	0.0	-49.26	325.81	8.02	-41.24
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013338864	1	37	0.0	-39.51	321.77	7.99	-31.52
CCOC1=CC2=[NH+]C=CC(N(CCC(=O)OC)CC(=O)[O-])=C2C=C1OCC	REAL300013338878	0	51	0.0	-50.03	406.43	8.52	-41.51
COC(=O)CCN(CC(=O)[O-])C1=[NH+]C=CC(N2CCCC2)=N1	REAL300013338892	0	42	0.0	-42.39	341.28	10.09	-32.30
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C2=CC(F)=CC=C21	REAL300013338913	0	37	0.0	-45.67	311.01	7.48	-38.19
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C2=CC(OC)=C(Br)C=C21	REAL300013338927	0	41	0.0	-49.32	352.91	7.27	-42.05
COC(=O)CCN(CC(=O)[O-])C1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1	REAL300013338939	0	51	0.0	-42.74	395.42	12.12	-30.62
COC(=O)CCN(CC(=O)[O-])C1=C2CCCCC2=[NH+]C2=CC(F)=C(C)C=C21	REAL300013338944	0	50	0.0	-40.71	382.07	10.22	-30.49
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C2=CC(OC)=C(OC)C=C21	REAL300013338953	0	45	0.0	-50.05	362.73	6.69	-43.36
COC(=O)CCN(CC(=O)[O-])C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013338992	0	46	0.0	-43.16	381.08	11.90	-31.26
CCC(C)OC1=CC(N(CCC(=O)OC)CC(=O)[O-])=NC(C)=[NH+]1	REAL300013339005	1	46	0.0	-47.92	375.55	8.94	-38.98
COC(=O)CCN(CC(=O)[O-])C1=CC(C)=[NH+]C2=C(Cl)C(C)=CC=C12	REAL300013339022	0	43	0.0	-35.90	357.52	8.97	-26.93
COC(=O)CCN(CC(=O)[O-])C1=CC(NC2=CC=CC=C2)=[NH+]C(C)=N1	REAL300013339024	1	45	0.0	-46.77	374.97	11.10	-35.67
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C(C)=C1Br	REAL300013339027	0	34	0.0	-46.38	295.86	6.20	-40.18
COC(=O)CCN(CC(=O)[O-])C1=[NH+]C=CC(N(C)C2CCCCC2)=N1	REAL300013339029	0	51	0.0	-40.89	397.19	13.20	-27.69
COC(=O)CCN(CC(=O)[O-])C1=[NH+]C(C)=CC(N(C)C(C)C)=N1	REAL300013339030	0	47	0.0	-38.90	376.51	11.93	-26.97
COC(=O)CCN(CC(=O)[O-])C1=[NH+]C(C)=CC(N(C)C2=CC=CC=C2)=N1	REAL300013339034	0	48	0.0	-41.51	397.96	13.10	-28.41
COC(=O)CCN(CC(=O)[O-])C1=CC(C)=[NH+]C(N(C)C(C)C)=N1	REAL300013339038	0	47	0.0	-49.76	376.38	11.99	-37.77
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C(N(C)C2CCCCC2)=N1	REAL300013339041	0	51	0.0	-49.41	396.49	13.29	-36.12
COC(=O)CCN(CC(=O)[O-])C1=[NH+]C=CC2=CC=CC(C)=C21	REAL300013339066	1	40	0.0	-37.81	313.23	9.68	-28.13
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C(C2=CC=C(OC)C=C2)=N1	REAL300013339080	1	44	0.0	-51.99	369.28	9.98	-42.01
COC(=O)CCN(CC(=O)[O-])C1=C2C=CNC2=NC(C2CC2)=[NH+]1	REAL300013339092	1	41	0.0	-34.83	336.16	7.77	-27.06
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013339093	0	41	0.0	-46.80	350.49	7.22	-39.58
COC(=O)CCN(CC(=O)[O-])C1=CC(N(C)C)=[NH+]C(N(C)C)=N1	REAL300013339098	0	46	0.0	-46.17	369.38	11.43	-34.74
COC(=O)CCN(CC(=O)[O-])C1=CC=[NH+]C2=C(Cl)C(C)=CC=C12	REAL300013339106	1	40	0.0	-39.78	336.12	8.44	-31.34
CN(CCCC[NH+]1CCCCC1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013339108	0	46	0.0	-63.66	366.15	9.65	-54.01
CN(CCCC[NH+]1CCCCC1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013339109	0	49	0.0	-98.83	375.76	11.22	-87.61
O=C([O-])C1=CC=C[NH+]=C1N1CCCCC(C2CCOCC2)C1	REAL300013339111	0	46	0.0	-49.76	325.60	8.64	-41.12
O=C([O-])C1=CC=CC(NC2CCC[N@H+](CCN3CCOCC3)C2)=N1	REAL300013339116	0	50	0.0	-82.20	374.73	5.27	-76.93
O=C([O-])C1=CC=CC(NC2CCC[N@@H+](CCN3CCOCC3)C2)=N1	REAL300013339116	1	50	0.0	-82.19	374.78	5.26	-76.93
O=C([O-])C1=CC=CN=C1NC1CCC[N@H+](CCN2CCOCC2)C1	REAL300013339117	0	50	0.0	-60.19	372.24	5.97	-54.22
O=C([O-])C1=CC=CN=C1NC1CCC[N@@H+](CCN2CCOCC2)C1	REAL300013339117	1	50	0.0	-59.49	372.26	5.94	-53.55
O=C([O-])C1=CN=C(NC2CCC[N@H+](CCN3CCOCC3)C2)C(Cl)=C1	REAL300013339118	0	50	0.0	-72.20	387.74	6.70	-65.50
O=C([O-])C1=CN=C(NC2CCC[N@@H+](CCN3CCOCC3)C2)C(Cl)=C1	REAL300013339118	1	50	0.0	-71.86	391.77	6.24	-65.62
O=C([O-])C1=CC=CC(NC2CCC[N@H+](CCN3CCOCC3)C2)=N1	REAL300013339119	0	50	0.0	-82.20	374.73	5.27	-76.93
O=C([O-])C1=CC=CC(NC2CCC[N@@H+](CCN3CCOCC3)C2)=N1	REAL300013339119	1	50	0.0	-82.19	374.78	5.26	-76.93
O=C([O-])C1=CC=CC(NC2CCC[N@H+](CCN3CCOCC3)C2)=N1	REAL300013339120	0	50	0.0	-82.20	374.73	5.27	-76.93
O=C([O-])C1=CC=CC(NC2CCC[N@@H+](CCN3CCOCC3)C2)=N1	REAL300013339120	1	50	0.0	-82.19	374.78	5.26	-76.93
O=C([O-])C1=CC2=C(NC3CCC[N@H+](CCN4CCOCC4)C3)N=CNC2=N1	REAL300013339121	0	53	0.0	-107.10	404.94	6.60	-100.50
O=C([O-])C1=CC2=C(NC3CCC[N@@H+](CCN4CCOCC4)C3)N=CNC2=N1	REAL300013339121	1	53	0.0	-107.13	404.94	6.58	-100.55
CN(CC1=NN=C2C(=O)NC=CN12)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013339125	0	34	0.0	-82.37	291.31	5.86	-76.51
CN(CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013339142	0	43	0.0	-53.96	376.92	12.19	-41.77
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1CN(C)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013339160	0	49	0.0	-47.71	397.48	13.15	-34.56
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCCCC2CC(=O)[O-])=C1	REAL300013339168	0	41	0.0	-51.00	320.51	8.78	-42.22
O=C([O-])CC1CCCCN1C1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013339172	0	44	0.0	-56.10	336.96	8.46	-47.64
O=C([O-])CC1CCCCN1C1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013339172	1	44	0.0	-45.97	338.67	8.19	-37.78
O=C([O-])CC1CCCCN1C1=CC(N2CCCCC2)=[NH+]C=N1	REAL300013339182	0	46	0.0	-52.36	336.88	8.71	-43.65
O=C([O-])CC1CCCCN1C1=CC(N2CCCCC2)=NC=[NH+]1	REAL300013339182	1	46	0.0	-44.41	339.64	8.29	-36.12
O=C([O-])CC1CCCCN1C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013339183	0	50	0.0	-57.48	367.88	5.26	-52.22
O=C([O-])CC1CCCCN1C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013339183	1	50	0.0	-44.90	371.28	5.57	-39.33
COC1=CC2=NC(N3CCCCC3CC(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013339196	0	47	0.0	-49.53	359.30	5.48	-44.05
O=C([O-])CC1CCCCN1C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013339200	1	41	0.0	-53.61	331.68	9.16	-44.45
O=C([O-])CC1CCCCN1C1=CC=[NH+]C2=CC=C(Cl)C=C21	REAL300013339207	1	38	0.0	-54.80	309.85	8.67	-46.13
CC(C)(C)C1=CC(N2CCCCC2CC(=O)[O-])=NC(C(C)(C)C)=[NH+]1	REAL300013339208	1	55	0.0	-48.12	402.03	10.06	-38.06
O=C([O-])CC1CCCCN1C1=CC(N2CCOCC2)=[NH+]C=N1	REAL300013339212	0	44	0.0	-55.96	326.89	6.47	-49.49
O=C([O-])CC1CCCCN1C1=CC(N2CCOCC2)=NC=[NH+]1	REAL300013339212	1	44	0.0	-46.61	330.43	5.84	-40.77
CC1=CC(N2CCCCC2CC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013339217	1	46	0.0	-57.55	369.60	10.06	-47.49
O=C([O-])CC1CCCCN1C1=CC=[NH+]C2=CC(Cl)=CC=C21	REAL300013339241	1	38	0.0	-51.59	309.83	8.66	-42.93
O=C([O-])CC1CCCCN1C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013339248	1	38	0.0	-51.73	314.39	8.76	-42.97
NC1=[NH+]C(N2CCCCC2CC(=O)[O-])=CC(N2C=CC=N2)=N1	REAL300013339274	0	40	0.0	-43.86	319.55	7.50	-36.36
O=C([O-])CC1CCCCN1C1=[NH+]C=CC(N2CCOCC2)=N1	REAL300013339275	0	44	0.0	-61.67	328.24	6.06	-55.61
COC1=CC=CC2=C(N3CCCCC3CC(=O)[O-])C=C(C)[NH+]=C12	REAL300013339278	1	45	0.0	-44.45	342.44	8.13	-36.32
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCCCC2CC(=O)[O-])=N1	REAL300013339285	1	47	0.0	-48.75	355.16	10.21	-38.54
CC(C)C1=NC(N(C)C)=NC(N2CCCCC2CC(=O)[O-])=[NH+]1	REAL300013339285	1	47	0.0	-41.83	356.74	10.39	-31.44
O=C([O-])CC1CCCCN1C1=CC=[NH+]C(N2CCCCC2)=N1	REAL300013339291	0	46	0.0	-56.46	341.02	8.26	-48.20
O=C([O-])CC1CCCCN1C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013339301	0	50	0.0	-45.50	368.23	5.70	-39.80
O=C([O-])CC1CCCCN1C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013339301	1	50	0.0	-54.20	368.79	4.83	-49.37
CN1CCN(C2=CC(N3CCCCC3CC(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013339313	0	47	0.0	-51.45	356.24	6.28	-45.17
CN1CCN(C2=CC(N3CCCCC3CC(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013339313	1	47	0.0	-63.34	352.66	6.88	-56.46
CC(C)C1OCCCC1NC1=CC(N2CCCCC2CC(=O)[O-])=NC=[NH+]1	REAL300013339322	0	56	0.0	-51.33	407.03	8.87	-42.46
CC(C)C1OCCCC1NC1=CC(N2CCCCC2CC(=O)[O-])=[NH+]C=N1	REAL300013339322	1	56	0.0	-43.99	408.82	8.86	-35.13
O=C([O-])CC1CCCCN1C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013339330	0	49	0.0	-57.38	382.79	11.02	-46.36
CCCCNC1=CC(N2CCCCC2CC(=O)[O-])=NC(N)=[NH+]1	REAL300013339337	0	47	0.0	-53.01	356.90	8.05	-44.96
CCCCNC1=CC(N2CCCCC2CC(=O)[O-])=[NH+]C(N)=N1	REAL300013339337	1	47	0.0	-41.81	358.05	7.24	-34.57
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCCCC2CC(=O)[O-])=N1	REAL300013339343	0	50	0.0	-49.45	382.09	7.73	-41.72
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCCCC2CC(=O)[O-])=N1	REAL300013339343	1	50	0.0	-47.44	385.38	7.51	-39.93
CC(C)NC1=NC(NCCO)=NC(N2CCCCC2CC(=O)[O-])=[NH+]1	REAL300013339343	1	50	0.0	-46.51	384.02	7.82	-38.69
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCCCC2CC(=O)[O-])=N1	REAL300013339352	0	52	0.0	-46.47	381.74	11.69	-34.78
CCNC1=NC(NC(C)(C)C)=NC(N2CCCCC2CC(=O)[O-])=[NH+]1	REAL300013339352	1	52	0.0	-45.50	386.56	11.74	-33.76
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCCCC2CC(=O)[O-])=N1	REAL300013339352	1	52	0.0	-43.73	383.59	11.81	-31.92
CC(O)C1CCN(C2=CC(N3CCCCC3CC(=O)[O-])=NC=[NH+]2)C1	REAL300013339375	0	50	0.0	-55.88	368.23	6.00	-49.88
CC(O)C1CCN(C2=CC(N3CCCCC3CC(=O)[O-])=[NH+]C=N2)C1	REAL300013339375	1	50	0.0	-43.99	373.12	5.54	-38.45
O=C([O-])CC1CCCCN1C1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2	REAL300013339377	1	41	0.0	-45.83	321.46	9.05	-36.78
CCCC1=CC2=C(N3CCCCC3CC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013339379	0	47	0.0	-51.89	357.50	10.36	-41.53
CC(C)OC1=CC2=C(N3CCCCC3CC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013339381	0	48	0.0	-55.55	362.33	9.00	-46.55
O=C([O-])CC1CCCCN1C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013339474	1	38	0.0	-54.71	314.41	8.77	-45.94
CCOC1=CC2=[NH+]C=CC(N3CCCCC3CC(=O)[O-])=C2C=C1OCC	REAL300013339488	0	52	0.0	-53.62	395.17	9.24	-44.38
CCC1=CC(N2CCCCC2CC(=O)[O-])=NC(C2=CC=NC=C2)=[NH+]1	REAL300013339490	1	46	0.0	-53.52	360.46	8.53	-44.99
COC1=CC2=[NH+]C=CC(N3CCCCC3CC(=O)[O-])=C2C=C1Br	REAL300013339518	0	42	0.0	-54.62	342.81	8.14	-46.48
CC1(C)CCCN(C2=CC=[NH+]C(N3CCCCC3CC(=O)[O-])=N2)C1	REAL300013339525	0	52	0.0	-61.40	373.70	9.91	-51.49
CC1=CC(C(F)(F)F)=CC(N2CCCCC2CC(=O)[O-])=[NH+]1	REAL300013339530	0	38	0.0	-44.81	308.78	7.61	-37.20
O=C([O-])CC1CCCCN1C1=CC(NC2=CC=CC=C2)=[NH+]C=N1	REAL300013339532	1	43	0.0	-50.33	333.43	9.28	-41.05
COC1=CC2=[NH+]C=CC(N3CCCCC3CC(=O)[O-])=C2C=C1OC	REAL300013339534	0	46	0.0	-53.82	351.46	7.40	-46.42
O=C([O-])CC1CCCCN1C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013339552	0	47	0.0	-64.33	359.04	9.76	-54.57
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCCCC2CC(=O)[O-])=N1	REAL300013339577	0	46	0.0	-50.94	353.83	8.72	-42.22
CC1=NC(NC2=CC=CC=C2)=CC(N2CCCCC2CC(=O)[O-])=[NH+]1	REAL300013339577	1	46	0.0	-43.85	355.71	9.88	-33.97
CC1=[NH+]C=CC(N2CCCCC2CC(=O)[O-])=C1Br	REAL300013339579	0	35	0.0	-53.42	286.63	7.07	-46.35
CN(C1=CC=[NH+]C(N2CCCCC2CC(=O)[O-])=N1)C1CCCCC1	REAL300013339581	0	52	0.0	-52.66	378.91	10.27	-42.39
CC1=CC(N(C)C(C)C)=NC(N2CCCCC2CC(=O)[O-])=[NH+]1	REAL300013339582	0	48	0.0	-46.53	358.69	8.87	-37.66
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCCCC2CC(=O)[O-])=[NH+]1	REAL300013339585	0	49	0.0	-37.80	376.19	11.58	-26.22
CC1=CC(N2C=CC=N2)=NC(N2CCCCC2CC(=O)[O-])=[NH+]1	REAL300013339586	1	41	0.0	-48.87	327.61	8.08	-40.79
CC1=CC(N2CCCCC2CC(=O)[O-])=NC(N(C)C(C)C)=[NH+]1	REAL300013339589	0	48	0.0	-51.80	359.44	10.31	-41.49
CN(C1=[NH+]C=CC(N2CCCCC2CC(=O)[O-])=N1)C1CCCCC1	REAL300013339592	0	52	0.0	-44.80	376.95	12.52	-32.28
CC1=CC(N2CCCCC2CC(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013339594	1	49	0.0	-50.30	378.04	12.07	-38.23
O=C([O-])CC1CCCCN1C1=C2C=CNC2=NC(C2CC2)=[NH+]1	REAL300013339620	0	42	0.0	-42.22	319.37	8.14	-34.08
O=C([O-])CC1CCCCN1C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013339621	0	42	0.0	-52.85	339.03	7.96	-44.89
CN(C)C1=CC(N2CCCCC2CC(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013339625	1	47	0.0	-49.78	352.13	9.71	-40.07
CN(C)C1=CC(N2CCCCC2CC(=O)[O-])=[NH+]C(N(C)C)=N1	REAL300013339625	1	47	0.0	-40.11	351.95	9.79	-30.32
CC1=C(Cl)C2=[NH+]C=CC(N3CCCCC3CC(=O)[O-])=C2C=C1	REAL300013339630	1	41	0.0	-46.60	326.08	9.31	-37.29
CCCCNC1=CC(OC2=CC=C(CC(=O)[O-])C=C2)=NC(N)=[NH+]1	REAL300013339946	1	43	0.0	-59.19	358.77	7.84	-51.35
CCCCNC1=CC(OC2=CC(C(=O)[O-])=CC=C2F)=NC(N)=[NH+]1	REAL300013340711	1	40	0.0	-54.52	343.41	7.09	-47.43
COC1=CC=C2NC3=C(CCN(C4=[NH+]C=CC=C4C(=O)[O-])C3)C2=C1	REAL300013341162	0	41	0.0	-56.23	330.19	8.43	-47.80
CN(CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013341203	0	43	0.0	-48.70	371.15	12.19	-36.51
CCOC(=O)C1=C(C)N=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)S1	REAL300013341207	0	44	0.0	-52.07	369.76	9.01	-43.06
CCCCCCCCCCCN(C)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013341212	0	52	0.0	-48.71	399.93	12.75	-35.96
CN(CC1=CSC=C1Br)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013341229	0	29	0.0	-48.83	271.58	8.13	-40.70
COC(=O)C1=CC=C2CN(C3=[NH+]C=CC=C3C(=O)[O-])CCC2=C1	REAL300013341241	0	39	0.0	-45.08	310.34	8.67	-36.41
CCC1=CC=CC=C1OC1=CC=C(CN(C)C2=[NH+]C=CC=C2C(=O)[O-])C(Cl)=C1	REAL300013341247	0	49	0.0	-53.35	407.60	13.41	-39.94
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1CN(C)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013341251	0	46	0.0	-47.44	385.68	12.87	-34.57
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013341256	0	50	0.0	-65.97	363.92	12.20	-53.77
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013341256	1	50	0.0	-80.66	376.10	11.95	-68.71
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NC=CC=C1C(=O)[O-]	REAL300013341257	0	50	0.0	-43.27	364.88	11.81	-31.46
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NC=CC=C1C(=O)[O-]	REAL300013341257	1	50	0.0	-53.61	375.85	12.03	-41.58
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013341258	0	50	0.0	-63.01	387.38	11.56	-51.45
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013341258	1	50	0.0	-57.73	392.01	13.39	-44.34
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013341259	0	50	0.0	-65.97	363.92	12.20	-53.77
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013341259	1	50	0.0	-80.66	376.10	11.95	-68.71
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013341260	0	50	0.0	-65.97	363.92	12.20	-53.77
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013341260	1	50	0.0	-80.66	376.10	11.95	-68.71
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013341261	0	53	0.0	-97.10	383.42	12.54	-84.56
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013341261	1	53	0.0	-103.86	403.06	13.08	-90.78
COC(=O)C(CNC1=[NH+]C=CC=C1C(=O)[O-])C1CCOCC1	REAL300013341274	0	42	0.0	-49.19	326.78	6.98	-42.21
CN(CC1CN(C2=CC=CC=C2)C(=O)O1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013341281	1	41	0.0	-73.20	334.87	8.88	-64.32
CC1CN(C2=[NH+]C=CC=C2C(=O)[O-])CCC(C(F)(F)F)O1	REAL300013341307	0	36	0.0	-58.24	295.19	7.35	-50.89
O=C([O-])C1CC(NC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013341319	0	44	0.0	-60.20	340.77	5.24	-54.96
O=C([O-])C1CC(NC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013341319	1	44	0.0	-61.77	338.35	5.08	-56.69
COC1=CC=C(NC2=CC(NC3CC(C(=O)[O-])C3)=[NH+]C=N2)C(OC)=C1	REAL300013341321	1	45	0.0	-61.40	362.38	8.33	-53.07
COC1=CC2=NC(NC3CC(C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013341335	0	41	0.0	-59.93	329.85	6.55	-53.38
O=C([O-])C1CC(NC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)C1	REAL300013341340	0	35	0.0	-61.14	299.87	8.03	-53.11
CC(C)(C)C1=CC(NC2CC(C(=O)[O-])C2)=NC(C(C)(C)C)=[NH+]1	REAL300013341344	1	49	0.0	-51.33	369.95	9.78	-41.55
CC1=CC(NC2CC(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013341351	1	40	0.0	-65.69	339.89	9.92	-55.77
O=C([O-])C1CC(NC2=CC=[NH+]C3=CC(Br)=CC=C23)C1	REAL300013341377	1	32	0.0	-59.02	282.59	7.64	-51.38
CC1=[NH+]C2=CC=C(Br)C=C2C(NC2CC(C(=O)[O-])C2)=C1C	REAL300013341395	0	38	0.0	-56.30	317.42	8.27	-48.03
CCOC(=O)C1=C(NC2CC(C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013341418	1	44	0.0	-61.54	359.14	7.24	-54.30
CCOC(=O)C1=C(NC2CC(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013341419	1	47	0.0	-55.55	368.80	9.64	-45.91
O=C([O-])C1CC(NC2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013341434	0	44	0.0	-59.20	339.04	4.42	-54.78
O=C([O-])C1CC(NC2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013341434	1	44	0.0	-60.04	339.77	4.61	-55.43
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NC2CC(C(=O)[O-])C2)=C1	REAL300013341438	0	37	0.0	-66.05	310.68	8.27	-57.78
CN1CCN(C2=CC(NC3CC(C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013341445	0	41	0.0	-62.83	323.64	5.41	-57.42
CN1CCN(C2=CC(NC3CC(C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013341445	1	41	0.0	-70.54	323.56	5.76	-64.78
CC(C)C1OCCCC1NC1=CC(NC2CC(C(=O)[O-])C2)=[NH+]C=N1	REAL300013341450	0	50	0.0	-57.22	378.69	8.57	-48.65
CC(C)C1OCCCC1NC1=CC(NC2CC(C(=O)[O-])C2)=NC=[NH+]1	REAL300013341450	1	50	0.0	-58.47	377.44	8.73	-49.74
O=C([O-])C1CC(NC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)C1	REAL300013341462	0	43	0.0	-63.41	350.10	9.88	-53.53
O=C([O-])C1CC(NC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013341468	1	39	0.0	-49.01	329.99	9.93	-39.08
CC(C)NC1=[NH+]C(NCCO)=NC(NC2CC(C(=O)[O-])C2)=N1	REAL300013341480	0	44	0.0	-55.52	355.36	7.77	-47.75
CC(C)NC1=NC(NCCO)=[NH+]C(NC2CC(C(=O)[O-])C2)=N1	REAL300013341480	1	44	0.0	-49.89	355.46	7.76	-42.13
CC(C)NC1=NC(NCCO)=NC(NC2CC(C(=O)[O-])C2)=[NH+]1	REAL300013341480	1	44	0.0	-49.33	354.80	7.74	-41.59
CCNC1=[NH+]C(NC2CC(C(=O)[O-])C2)=NC(NC(C)(C)C)=N1	REAL300013341487	0	46	0.0	-48.52	356.65	11.99	-36.53
CCNC1=NC(NC2CC(C(=O)[O-])C2)=NC(NC(C)(C)C)=[NH+]1	REAL300013341487	1	46	0.0	-53.87	359.19	12.10	-41.77
CCNC1=NC(NC2CC(C(=O)[O-])C2)=[NH+]C(NC(C)(C)C)=N1	REAL300013341487	1	46	0.0	-48.71	358.70	12.06	-36.65
CC(O)C1CCN(C2=CC(NC3CC(C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013341510	0	44	0.0	-59.05	338.18	5.58	-53.47
CC(O)C1CCN(C2=CC(NC3CC(C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013341510	1	44	0.0	-60.33	339.07	4.89	-55.44
CC(C)OC1=CC2=C(NC3CC(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013341513	0	42	0.0	-61.42	330.44	7.88	-53.54
CCOC(=O)C1=C(C)C2=C(NC3CC(C(=O)[O-])C3)N=C(C[NH+](C)C)N=C2S1	REAL300013341545	1	51	0.0	-66.32	415.52	10.35	-55.97
C[NH+](C)CCNS(=O)(=O)C1=CC=C(NC2CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300013341549	0	48	0.0	-80.32	398.39	5.31	-75.01
CCC1=CC(NC2CC(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013341598	1	43	0.0	-64.22	361.33	10.64	-53.58
C[NH+](C)CC1=NC(NC2CC(C(=O)[O-])C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013341613	1	49	0.0	-62.13	398.55	11.68	-50.45
O=C([O-])C1CC(NC2=CC=[NH+]C3=CC=C(Br)C=C23)C1	REAL300013341614	1	32	0.0	-61.48	282.60	7.65	-53.83
O=C([O-])C1CC(NC2=CC=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013341620	1	32	0.0	-54.71	279.96	7.73	-46.98
CCOC1=CC2=[NH+]C=CC(NC3CC(C(=O)[O-])C3)=C2C=C1OCC	REAL300013341627	0	46	0.0	-61.20	363.43	8.12	-53.08
COC1=CC2=[NH+]C=CC(NC3CC(C(=O)[O-])C3)=C2C=C1Br	REAL300013341653	0	36	0.0	-62.59	311.07	7.00	-55.59
CC1(C)CCCN(C2=CC=[NH+]C(NC3CC(C(=O)[O-])C3)=N2)C1	REAL300013341660	0	46	0.0	-61.06	347.29	9.61	-51.45
CC1=CC2=C(NC3CC(C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013341664	0	45	0.0	-49.77	348.01	9.77	-40.00
COC1=CC2=[NH+]C=CC(NC3CC(C(=O)[O-])C3)=C2C=C1OC	REAL300013341667	0	40	0.0	-61.43	319.73	6.28	-55.15
O=C([O-])C1CC(NC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013341680	0	41	0.0	-59.06	329.53	9.78	-49.28
CC1=CC=C2C(NC3CC(C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013341690	0	38	0.0	-51.09	315.65	8.76	-42.33
CN(C1=CC=[NH+]C(NC2CC(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013341696	0	46	0.0	-56.13	346.86	11.31	-44.82
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC2CC(C(=O)[O-])C2)=[NH+]1	REAL300013341698	0	43	0.0	-50.66	350.69	11.99	-38.67
CN(C1=[NH+]C=CC(NC2CC(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013341699	0	46	0.0	-58.82	346.82	11.27	-47.55
CC1=CC(NC2CC(C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013341701	1	43	0.0	-56.51	348.59	11.92	-44.59
O=C([O-])C1CC(NC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)C1	REAL300013341731	0	36	0.0	-60.33	307.22	6.83	-53.50
O=C([O-])[C@H]1C[C@H](NC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013341743	0	44	0.0	-59.60	340.84	5.24	-54.36
O=C([O-])[C@H]1C[C@H](NC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013341743	1	44	0.0	-61.76	338.36	5.08	-56.68
COC1=CC=C(NC2=CC(N[C@H]3C[C@H](C(=O)[O-])C3)=[NH+]C=N2)C(OC)=C1	REAL300013341745	1	45	0.0	-58.22	364.97	7.41	-50.81
COC1=CC2=NC(N[C@H]3C[C@H](C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013341759	0	41	0.0	-59.73	330.21	6.54	-53.19
O=C([O-])[C@H]1C[C@H](NC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)C1	REAL300013341764	0	35	0.0	-61.15	300.23	8.02	-53.13
CC(C)(C)C1=CC(N[C@H]2C[C@H](C(=O)[O-])C2)=NC(C(C)(C)C)=[NH+]1	REAL300013341768	1	49	0.0	-51.33	369.95	9.78	-41.55
CC1=CC(N[C@H]2C[C@H](C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013341775	1	40	0.0	-65.46	340.27	9.91	-55.55
O=C([O-])[C@H]1C[C@H](NC2=CC=[NH+]C3=CC(Br)=CC=C23)C1	REAL300013341801	1	32	0.0	-58.99	282.58	7.64	-51.35
CC1=[NH+]C2=CC=C(Br)C=C2C(N[C@H]2C[C@H](C(=O)[O-])C2)=C1C	REAL300013341819	0	38	0.0	-58.47	316.06	8.23	-50.24
CCOC(=O)C1=C(N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013341842	1	44	0.0	-60.71	360.16	7.01	-53.70
CCOC(=O)C1=C(N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013341843	1	47	0.0	-61.88	366.93	9.49	-52.39
O=C([O-])[C@H]1C[C@H](NC2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013341858	0	44	0.0	-59.46	339.00	4.42	-55.04
O=C([O-])[C@H]1C[C@H](NC2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013341858	1	44	0.0	-59.82	339.55	4.58	-55.24
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013341862	0	37	0.0	-65.94	310.75	8.26	-57.68
CN1CCN(C2=CC(N[C@H]3C[C@H](C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013341869	0	41	0.0	-66.11	326.04	5.94	-60.17
CN1CCN(C2=CC(N[C@H]3C[C@H](C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013341869	1	41	0.0	-70.55	324.06	5.73	-64.82
CC(C)C1OCCCC1NC1=CC(N[C@H]2C[C@H](C(=O)[O-])C2)=[NH+]C=N1	REAL300013341874	0	50	0.0	-55.96	376.58	8.73	-47.23
CC(C)C1OCCCC1NC1=CC(N[C@H]2C[C@H](C(=O)[O-])C2)=NC=[NH+]1	REAL300013341874	1	50	0.0	-61.93	378.97	8.54	-53.39
O=C([O-])[C@H]1C[C@H](NC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)C1	REAL300013341886	0	43	0.0	-61.72	350.36	9.85	-51.87
O=C([O-])[C@H]1C[C@H](NC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013341892	1	39	0.0	-49.42	329.58	9.97	-39.45
CC(C)NC1=[NH+]C(NCCO)=NC(N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013341904	0	44	0.0	-55.02	355.78	7.77	-47.25
CC(C)NC1=NC(NCCO)=[NH+]C(N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013341904	1	44	0.0	-49.91	355.46	7.76	-42.15
CC(C)NC1=NC(NCCO)=NC(N[C@H]2C[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013341904	1	44	0.0	-49.43	355.21	7.73	-41.70
CCNC1=NC(NC(C)(C)C)=NC(N[C@H]2C[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013341911	0	46	0.0	-48.49	356.73	11.98	-36.51
CCNC1=[NH+]C(NC(C)(C)C)=NC(N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013341911	1	46	0.0	-51.90	355.34	11.71	-40.19
CCNC1=NC(NC(C)(C)C)=[NH+]C(N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300013341911	1	46	0.0	-48.53	358.61	12.06	-36.47
CC(O)C1CCN(C2=CC(N[C@H]3C[C@H](C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013341934	0	44	0.0	-59.14	338.29	5.59	-53.55
CC(O)C1CCN(C2=CC(N[C@H]3C[C@H](C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013341934	1	44	0.0	-58.19	336.11	5.08	-53.11
CC(C)OC1=CC2=C(N[C@H]3C[C@H](C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013341937	0	42	0.0	-61.02	330.79	7.87	-53.15
CCOC(=O)C1=C(C)C2=C(N[C@H]3C[C@H](C(=O)[O-])C3)N=C(C[NH+](C)C)N=C2S1	REAL300013341969	1	51	0.0	-66.30	415.61	10.35	-55.95
C[NH+](C)CCNS(=O)(=O)C1=CC=C(N[C@H]2C[C@H](C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300013341973	0	48	0.0	-85.16	401.28	5.33	-79.83
CCC1=CC(N[C@H]2C[C@H](C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013342022	1	43	0.0	-64.07	361.32	10.64	-53.43
C[NH+](C)CC1=NC(N[C@H]2C[C@H](C(=O)[O-])C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013342037	1	49	0.0	-62.30	398.56	11.68	-50.62
O=C([O-])[C@H]1C[C@H](NC2=CC=[NH+]C3=CC=C(Br)C=C23)C1	REAL300013342038	1	32	0.0	-61.44	282.58	7.65	-53.79
O=C([O-])[C@H]1C[C@H](NC2=CC=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013342044	1	32	0.0	-54.69	279.96	7.73	-46.96
CCOC1=CC2=[NH+]C=CC(N[C@H]3C[C@H](C(=O)[O-])C3)=C2C=C1OCC	REAL300013342051	0	46	0.0	-61.04	363.79	8.11	-52.93
COC1=CC2=[NH+]C=CC(N[C@H]3C[C@H](C(=O)[O-])C3)=C2C=C1Br	REAL300013342077	0	36	0.0	-62.50	311.19	7.00	-55.50
CC1(C)CCCN(C2=CC=[NH+]C(N[C@H]3C[C@H](C(=O)[O-])C3)=N2)C1	REAL300013342084	0	46	0.0	-59.57	347.16	9.63	-49.94
CC1=CC2=C(N[C@H]3C[C@H](C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013342088	0	45	0.0	-56.49	347.58	9.76	-46.73
COC1=CC2=[NH+]C=CC(N[C@H]3C[C@H](C(=O)[O-])C3)=C2C=C1OC	REAL300013342091	0	40	0.0	-61.29	320.09	6.27	-55.02
O=C([O-])[C@H]1C[C@H](NC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013342104	0	41	0.0	-59.66	331.82	9.89	-49.77
CC1=CC=C2C(N[C@H]3C[C@H](C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013342114	0	38	0.0	-51.06	315.69	8.76	-42.30
CN(C1=CC=[NH+]C(N[C@H]2C[C@H](C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013342120	0	46	0.0	-56.09	346.95	11.30	-44.79
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@H]2C[C@H](C(=O)[O-])C2)=[NH+]1	REAL300013342122	0	43	0.0	-50.61	350.67	11.99	-38.62
CN(C1=[NH+]C=CC(N[C@H]2C[C@H](C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013342123	0	46	0.0	-58.80	346.83	11.27	-47.53
CC1=CC(N[C@H]2C[C@H](C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013342125	1	43	0.0	-56.23	349.01	11.93	-44.30
O=C([O-])[C@H]1C[C@H](NC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)C1	REAL300013342155	0	36	0.0	-60.30	307.22	6.83	-53.47
C[N@@H+]1CCCC2C1CCN2C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013342160	0	41	0.0	-105.72	302.00	8.61	-97.11
C[N@H+]1CCCC2C1CCN2C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013342160	1	41	0.0	-105.75	301.84	8.64	-97.11
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=CC=CC(F)=C2)CC1	REAL300013342187	0	39	0.0	-50.09	313.90	10.52	-39.57
CC1=CC=C(S(=O)(=O)C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013342193	0	45	0.0	-62.21	368.88	8.29	-53.92
CCOC(=O)[C@@H]1CN(C2=[NH+]C=CC=C2C(=O)[O-])C[C@H]1C(F)(F)F	REAL300013342213	1	38	0.0	-55.15	323.33	8.59	-46.56
CCC(C1=CC=C(F)C=C1)[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013342230	0	47	0.0	-75.90	364.51	10.43	-65.47
CCC(C1=CC=C(F)C=C1)[NH+]1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013342231	0	47	0.0	-55.06	353.84	10.75	-44.31
CCC(C1=CC=C(F)C=C1)[NH+]1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013342232	1	47	0.0	-65.86	380.31	10.94	-54.92
CCC(C1=CC=C(F)C=C1)[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013342233	0	47	0.0	-75.90	364.51	10.43	-65.47
CCC(C1=CC=C(F)C=C1)[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013342234	0	47	0.0	-75.90	364.51	10.43	-65.47
CCC(C1=CC=C(F)C=C1)[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013342235	0	50	0.0	-101.12	379.75	11.61	-89.51
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OC2=CC=C(Cl)C=N2)CC1	REAL300013342237	0	39	0.0	-51.33	333.21	7.66	-43.67
O=C([O-])C1=CC=C[NH+]=C1N1CC[C@H](OC2=CC=C(F)C=C2)C1	REAL300013342243	0	37	0.0	-48.85	306.43	8.75	-40.10
CC(C)C1=NNC(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=C1	REAL300013342249	0	45	0.0	-51.15	351.42	8.79	-42.36
CC(C)C1=CC(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=NN1	REAL300013342249	1	45	0.0	-55.38	351.34	8.78	-46.60
CC1=[NH+]C2=CC=C(F)C=C2C(NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013342277	0	38	0.0	-65.41	322.61	9.21	-56.20
O=C([O-])C1=CC=CC(CNC2=CC(N3CCSCC3)=NC=[NH+]2)=C1	REAL300013342283	0	41	0.0	-67.82	342.01	9.38	-58.44
O=C([O-])C1=CC=CC(CNC2=CC(N3CCSCC3)=[NH+]C=N2)=C1	REAL300013342283	1	41	0.0	-68.95	341.00	8.95	-60.00
O=C([O-])C1=CC=CC(CNC2=CC(N3CCCCC3)=NC=[NH+]2)=C1	REAL300013342300	0	43	0.0	-64.47	342.67	9.49	-54.98
O=C([O-])C1=CC=CC(CNC2=CC(N3CCCCC3)=[NH+]C=N2)=C1	REAL300013342300	1	43	0.0	-66.08	340.31	9.33	-56.75
O=C([O-])C1=CC=CC(CNC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)=C1	REAL300013342301	0	47	0.0	-67.64	374.32	6.78	-60.86
O=C([O-])C1=CC=CC(CNC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)=C1	REAL300013342301	1	47	0.0	-68.37	371.92	6.62	-61.75
CCCC1=[NH+]C2=CC=CC=C2C(NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013342302	0	44	0.0	-60.32	359.13	10.66	-49.66
COC1=CC2=NC(NCC3=CC=CC(C(=O)[O-])=C3)=[NH+]C(N)=C2C=C1OC	REAL300013342331	0	44	0.0	-70.60	363.20	8.03	-62.57
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)=C1	REAL300013342340	0	38	0.0	-68.95	333.44	9.58	-59.37
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC=C(Cl)C=C23)=C1	REAL300013342349	1	35	0.0	-68.95	311.61	9.08	-59.87
O=C([O-])C1=CC=CC(CNC2=CC(N3CCOCC3)=NC=[NH+]2)=C1	REAL300013342358	0	41	0.0	-65.73	333.75	7.03	-58.70
O=C([O-])C1=CC=CC(CNC2=CC(N3CCOCC3)=[NH+]C=N2)=C1	REAL300013342358	1	41	0.0	-67.04	331.34	6.88	-60.16
CC1=CC2=[NH+]C(NCC3=CC=CC(C(=O)[O-])=C3)=CC(C)=C2C=C1	REAL300013342375	1	41	0.0	-58.77	336.79	10.54	-48.23
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC(Cl)=CC=C23)=C1	REAL300013342393	1	35	0.0	-66.48	311.60	9.07	-57.41
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC(Br)=CC=C23)=C1	REAL300013342402	1	35	0.0	-66.64	316.16	9.18	-57.46
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300013342431	0	41	0.0	-68.94	354.82	10.33	-58.61
NC1=[NH+]C(NCC2=CC=CC(C(=O)[O-])=C2)=CC(N2C=CC=N2)=N1	REAL300013342459	1	37	0.0	-63.70	322.59	8.70	-55.00
O=C([O-])C1=CC=CC(CNC2=[NH+]C=CC(N3CCOCC3)=N2)=C1	REAL300013342462	0	41	0.0	-69.69	333.72	7.78	-61.91
COC1=CC=CC2=C(NCC3=CC=CC(C(=O)[O-])=C3)C=C(C)[NH+]=C12	REAL300013342467	1	42	0.0	-59.14	344.54	8.57	-50.57
CCOC(=O)C1=C(NCC2=CC=CC(C(=O)[O-])=C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013342468	1	47	0.0	-79.93	396.46	9.09	-70.84
CCOC(=O)C1=C(NCC2=CC=CC(C(=O)[O-])=C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013342469	1	50	0.0	-76.02	405.23	11.72	-64.30
CCC1=[NH+]C2=CC=CC=C2C(NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013342476	0	41	0.0	-60.16	337.64	9.88	-50.28
CC(C)C1=[NH+]C(NCC2=CC=CC(C(=O)[O-])=C2)=NC(N(C)C)=N1	REAL300013342486	1	44	0.0	-59.19	358.38	12.93	-46.26
CC(C)C1=NC(NCC2=CC=CC(C(=O)[O-])=C2)=NC(N(C)C)=[NH+]1	REAL300013342486	1	44	0.0	-60.30	358.92	12.77	-47.53
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C(N3CCCCC3)=N2)=C1	REAL300013342492	0	43	0.0	-66.21	342.61	9.89	-56.32
CCC1=C(NCC2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2[NH+]=C1C	REAL300013342503	0	44	0.0	-64.76	354.18	10.42	-54.34
O=C([O-])C1=CC=CC(CNC2=CC(N3CCCCC3CO)=NC=[NH+]2)=C1	REAL300013342510	0	47	0.0	-67.50	372.58	5.95	-61.55
O=C([O-])C1=CC=CC(CNC2=CC(N3CCCCC3CO)=[NH+]C=N2)=C1	REAL300013342510	1	47	0.0	-66.77	373.34	6.15	-60.62
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013342514	0	40	0.0	-74.78	344.26	9.81	-64.97
CC1=[NH+]C2=CC=CC=C2C(NCC2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300013342519	0	41	0.0	-63.78	333.55	9.73	-54.05
CC1=C2[NH+]=CC(C)=C(NCC3=CC=CC(C(=O)[O-])=C3)C2=CC=C1	REAL300013342526	0	41	0.0	-65.24	327.97	9.69	-55.55
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C=C2Br)=C1	REAL300013342528	1	29	0.0	-70.36	270.68	7.06	-63.30
CN1CCN(C2=CC(NCC3=CC=CC(C(=O)[O-])=C3)=[NH+]C=N2)CC1=O	REAL300013342529	0	44	0.0	-72.69	359.29	7.50	-65.19
CN1CCN(C2=CC(NCC3=CC=CC(C(=O)[O-])=C3)=NC=[NH+]2)CC1=O	REAL300013342529	1	44	0.0	-68.19	352.41	6.68	-61.51
CCOC(=O)C1=C[NH+]=CC=C1NCC1=CC=CC(C(=O)[O-])=C1	REAL300013342543	1	38	0.0	-76.91	323.57	8.18	-68.73
COC1=CC=CC2=C(NCC3=CC=CC(C(=O)[O-])=C3)C(C)=C[NH+]=C12	REAL300013342552	1	42	0.0	-68.36	340.40	8.43	-59.93
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)=C1	REAL300013342562	0	46	0.0	-71.50	383.66	11.42	-60.08
O=C([O-])C1=CC=CC(CNC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)=C1	REAL300013342569	1	42	0.0	-57.25	363.07	11.51	-45.74
CCCCNC1=CC(NCC2=CC=CC(C(=O)[O-])=C2)=NC(N)=[NH+]1	REAL300013342578	0	44	0.0	-63.59	361.35	8.46	-55.13
CCCCNC1=CC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]C(N)=N1	REAL300013342578	1	44	0.0	-60.17	361.35	8.46	-51.71
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C=C2Br)=C1	REAL300013342586	1	29	0.0	-70.36	270.68	7.06	-63.30
CC(C)NC1=[NH+]C(NCCO)=NC(NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013342591	0	47	0.0	-62.40	388.28	9.23	-53.17
CC(C)NC1=NC(NCCO)=[NH+]C(NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013342591	1	47	0.0	-61.66	388.89	9.25	-52.41
CC(C)NC1=NC(NCCO)=NC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]1	REAL300013342591	1	47	0.0	-60.28	388.23	9.22	-51.06
CCNC1=[NH+]C(NCC2=CC=CC(C(=O)[O-])=C2)=NC(NC(C)(C)C)=N1	REAL300013342604	0	49	0.0	-59.27	390.07	13.48	-45.79
CCNC1=NC(NCC2=CC=CC(C(=O)[O-])=C2)=NC(NC(C)(C)C)=[NH+]1	REAL300013342604	1	49	0.0	-60.42	392.11	13.56	-46.86
CCNC1=NC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]C(NC(C)(C)C)=N1	REAL300013342604	1	49	0.0	-59.26	392.12	13.55	-45.71
CN(C1=CC=CC=C1)C1=CC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]C=N1	REAL300013342623	1	43	0.0	-62.37	362.56	12.17	-50.20
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)=C1	REAL300013342648	1	35	0.0	-71.28	317.41	9.13	-62.15
CC(O)C1CCN(C2=CC(NCC3=CC=CC(C(=O)[O-])=C3)=[NH+]C=N2)C1	REAL300013342649	0	47	0.0	-66.80	371.75	7.12	-59.68
CC(O)C1CCN(C2=CC(NCC3=CC=CC(C(=O)[O-])=C3)=NC=[NH+]2)C1	REAL300013342649	1	47	0.0	-67.90	372.66	6.42	-61.48
O=C([O-])C1=CC=CC(CNC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)=C1	REAL300013342651	1	38	0.0	-66.64	321.09	10.49	-56.15
CCCC1=CC2=C(NCC3=CC=CC(C(=O)[O-])=C3)C=C[NH+]=C2C=C1	REAL300013342654	0	44	0.0	-65.19	359.25	10.77	-54.42
CCC1=CC2=C(NCC3=CC=CC(C(=O)[O-])=C3)C=C[NH+]=C2C=C1	REAL300013342655	0	41	0.0	-65.04	337.76	9.99	-55.05
CC(C)OC1=CC2=C(NCC3=CC=CC(C(=O)[O-])=C3)C=C[NH+]=C2C=C1	REAL300013342657	0	45	0.0	-68.83	364.02	9.42	-59.41
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC=C(Br)C=C23)=C1	REAL300013342771	1	35	0.0	-69.10	316.18	9.19	-59.91
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=C(Br)C=CC=C23)=C1	REAL300013342777	1	35	0.0	-62.35	313.53	9.27	-53.08
CCOC1=CC2=[NH+]C=CC(NCC3=CC=CC(C(=O)[O-])=C3)=C2C=C1OCC	REAL300013342788	0	49	0.0	-68.81	397.01	9.66	-59.15
COC1=CC2=[NH+]C=CC(NCC3=CC=CC(C(=O)[O-])=C3)=C2C=C1Br	REAL300013342829	0	39	0.0	-70.60	344.65	8.54	-62.06
CC1(C)CCCN(C2=CC=[NH+]C(NCC3=CC=CC(C(=O)[O-])=C3)=N2)C1	REAL300013342838	0	49	0.0	-66.99	379.11	11.60	-55.39
CC1=CC2=C(NCC3=CC=CC(C(=O)[O-])=C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013342843	0	48	0.0	-62.33	382.72	11.64	-50.69
CC1=CC(C(F)(F)F)=CC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]1	REAL300013342846	0	35	0.0	-63.84	311.96	8.79	-55.05
COC1=CC2=[NH+]C=CC(NCC3=CC=CC(C(=O)[O-])=C3)=C2C=C1OC	REAL300013342851	0	43	0.0	-68.97	353.31	7.82	-61.15
O=C([O-])C1=CC=CC(CNC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)=C1	REAL300013342885	0	44	0.0	-70.74	364.75	11.38	-59.36
CC1=CC=C2C(NCC3=CC=CC(C(=O)[O-])=C3)=CC(C)=[NH+]C2=C1Cl	REAL300013342913	0	41	0.0	-58.84	349.23	10.30	-48.54
CC1=NC(NCC2=CC=CC(C(=O)[O-])=C2)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013342915	1	43	0.0	-62.19	358.80	10.56	-51.63
CC1=[NH+]C(NCC2=CC=CC(C(=O)[O-])=C2)=CC(NC2=CC=CC=C2)=N1	REAL300013342915	1	43	0.0	-62.30	360.45	10.95	-51.35
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)[O-])=C2)=C1Br	REAL300013342918	0	32	0.0	-68.14	288.85	7.55	-60.59
CN(C1=CC=[NH+]C(NCC2=CC=CC(C(=O)[O-])=C2)=N1)C1CCCCC1	REAL300013342920	0	49	0.0	-65.53	380.86	12.68	-52.85
CC1=CC(N(C)C(C)C)=NC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]1	REAL300013342921	0	45	0.0	-61.66	360.16	11.40	-50.26
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]1	REAL300013342924	0	46	0.0	-65.46	381.62	12.58	-52.88
CC1=CC(N2C=CC=N2)=NC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]1	REAL300013342925	1	38	0.0	-65.22	329.04	10.62	-54.60
CC1=CC(NCC2=CC=CC(C(=O)[O-])=C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013342928	0	45	0.0	-62.36	360.31	11.50	-50.86
CN(C1=[NH+]C=CC(NCC2=CC=CC(C(=O)[O-])=C2)=N1)C1CCCCC1	REAL300013342931	0	49	0.0	-66.50	380.40	12.81	-53.69
O=C([O-])C1=CC=CC(CNC2=C3C=CNC3=NC(C3CC3)=[NH+]2)=C1	REAL300013342977	1	39	0.0	-59.85	328.00	9.83	-50.02
O=C([O-])C1=CC=CC(CNC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)=C1	REAL300013342978	0	39	0.0	-68.07	340.80	8.37	-59.70
CN(C)C1=CC(NCC2=CC=CC(C(=O)[O-])=C2)=[NH+]C(N(C)C)=N1	REAL300013342982	0	44	0.0	-57.63	356.04	11.06	-46.57
CN(C)C1=CC(NCC2=CC=CC(C(=O)[O-])=C2)=NC(N(C)C)=[NH+]1	REAL300013342982	1	44	0.0	-60.72	353.17	10.89	-49.83
CC1=C(Cl)C2=[NH+]C=CC(NCC3=CC=CC(C(=O)[O-])=C3)=C2C=C1	REAL300013342989	1	38	0.0	-62.21	327.93	9.72	-52.49
CCC1COCC[N@@H+]1CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013343004	1	44	0.0	-103.29	343.51	6.83	-96.46
CCC1COCC[N@H+]1CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013343004	1	44	0.0	-103.30	343.97	6.84	-96.46
N#CC1=CC=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=N1	REAL300013343006	0	38	0.0	-54.56	314.58	6.39	-48.17
C[C@]12CN(C3=[NH+]C=CC=C3C(=O)[O-])C[C@@]1(C)CS(=O)(=O)C2	REAL300013343022	0	39	0.0	-47.18	303.31	4.75	-42.43
CC1([NH+]2CCCCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013343047	0	47	0.0	-71.60	329.49	8.56	-63.04
CC1([NH+]2CCCCC2)CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013343048	0	47	0.0	-56.79	329.16	9.43	-47.36
CC1([NH+]2CCCCC2)CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013343049	0	47	0.0	-63.08	347.89	9.23	-53.85
CC1([NH+]2CCCCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013343050	0	47	0.0	-71.60	329.49	8.56	-63.04
CC1([NH+]2CCCCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013343051	0	47	0.0	-71.60	329.49	8.56	-63.04
CC1([NH+]2CCCCC2)CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013343052	0	50	0.0	-97.19	354.73	10.33	-86.86
C[N@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCCCC1	REAL300013343058	0	53	0.0	-72.83	382.87	11.25	-61.58
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCCCC1	REAL300013343058	1	53	0.0	-73.19	382.81	11.24	-61.95
C[N@H+](CC1=CC=CC=C1)C1(CNC2=NC=CC=C2C(=O)[O-])CCCCC1	REAL300013343059	0	53	0.0	-49.36	378.71	11.77	-37.59
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=NC=CC=C2C(=O)[O-])CCCCC1	REAL300013343059	1	53	0.0	-51.81	382.52	11.81	-40.00
C[N@H+](CC1=CC=CC=C1)C1(CNC2=NC=C(C(=O)[O-])C=C2Cl)CCCCC1	REAL300013343060	0	53	0.0	-65.52	398.17	12.11	-53.41
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=NC=C(C(=O)[O-])C=C2Cl)CCCCC1	REAL300013343060	1	53	0.0	-65.68	398.68	12.12	-53.56
C[N@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCCCC1	REAL300013343061	0	53	0.0	-72.83	382.87	11.25	-61.58
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCCCC1	REAL300013343061	1	53	0.0	-73.19	382.81	11.24	-61.95
C[N@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCCCC1	REAL300013343062	0	53	0.0	-72.83	382.87	11.25	-61.58
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCCCC1	REAL300013343062	1	53	0.0	-73.19	382.81	11.24	-61.95
C[N@H+](CC1=CC=CC=C1)C1(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCCCC1	REAL300013343063	0	56	0.0	-98.46	411.34	12.44	-86.02
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCCCC1	REAL300013343063	1	56	0.0	-97.54	408.58	13.05	-84.49
C[C@]12CN(C3=CC=CC(C(=O)[O-])=N3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300013343070	0	48	0.0	-71.80	368.26	10.21	-61.59
C[C@]12CN(C3=CC=CC(C(=O)[O-])=N3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300013343070	1	48	0.0	-69.87	371.29	10.28	-59.59
C[C@]12CN(C3=NC=CC=C3C(=O)[O-])C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300013343071	0	48	0.0	-49.87	367.03	11.81	-38.06
C[C@]12CN(C3=NC=CC=C3C(=O)[O-])C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300013343071	1	48	0.0	-70.73	369.14	11.25	-59.48
C[C@]12CN(C3=NC=C(C(=O)[O-])C=C3Cl)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300013343072	0	48	0.0	-68.75	383.48	10.82	-57.93
C[C@]12CN(C3=NC=C(C(=O)[O-])C=C3Cl)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300013343072	1	48	0.0	-67.90	381.67	10.74	-57.16
C[C@]12CN(C3=CC=CC(C(=O)[O-])=N3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300013343073	0	48	0.0	-71.80	368.26	10.21	-61.59
C[C@]12CN(C3=CC=CC(C(=O)[O-])=N3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300013343073	1	48	0.0	-69.87	371.29	10.28	-59.59
C[C@]12CN(C3=CC=CC(C(=O)[O-])=N3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300013343074	0	48	0.0	-71.80	368.26	10.21	-61.59
C[C@]12CN(C3=CC=CC(C(=O)[O-])=N3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300013343074	1	48	0.0	-69.87	371.29	10.28	-59.59
C[C@]12CN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300013343075	0	51	0.0	-101.67	394.37	12.18	-89.49
C[C@]12CN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300013343075	1	51	0.0	-101.03	391.84	12.04	-88.99
O=C([O-])C1=CC=C[NH+]=C1N1CCC[C@@H](C(=O)NC2CCCC(O)C2)C1	REAL300013343083	0	50	0.0	-50.19	378.62	5.75	-44.44
CC(=O)NC1=CC=C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2=C1	REAL300013343103	0	40	0.0	-59.38	324.81	8.01	-51.37
C[N@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCOCC1	REAL300013343176	0	51	0.0	-72.18	371.36	9.49	-62.69
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCOCC1	REAL300013343176	1	51	0.0	-74.31	374.23	8.92	-65.39
C[N@H+](CC1=CC=CC=C1)C1(CNC2=NC=CC=C2C(=O)[O-])CCOCC1	REAL300013343177	0	51	0.0	-49.42	374.06	9.49	-39.93
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=NC=CC=C2C(=O)[O-])CCOCC1	REAL300013343177	1	51	0.0	-51.48	371.53	9.92	-41.56
C[N@H+](CC1=CC=CC=C1)C1(CNC2=NC=C(C(=O)[O-])C=C2Cl)CCOCC1	REAL300013343178	0	51	0.0	-66.22	389.84	9.76	-56.46
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=NC=C(C(=O)[O-])C=C2Cl)CCOCC1	REAL300013343178	1	51	0.0	-66.04	389.71	9.74	-56.30
C[N@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCOCC1	REAL300013343179	0	51	0.0	-72.18	371.36	9.49	-62.69
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCOCC1	REAL300013343179	1	51	0.0	-74.31	374.23	8.92	-65.39
C[N@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCOCC1	REAL300013343180	0	51	0.0	-72.18	371.36	9.49	-62.69
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=CC=CC(C(=O)[O-])=N2)CCOCC1	REAL300013343180	1	51	0.0	-74.31	374.23	8.92	-65.39
C[N@H+](CC1=CC=CC=C1)C1(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCOCC1	REAL300013343181	0	54	0.0	-99.58	403.02	10.10	-89.48
C[N@@H+](CC1=CC=CC=C1)C1(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCOCC1	REAL300013343181	1	54	0.0	-99.57	402.89	10.10	-89.47
CCOC(CNC1=NC=C(C(=O)[O-])C=C1Cl)C[NH+](C)C	REAL300013343199	0	40	0.0	-68.30	335.01	6.78	-61.52
CCOC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C[NH+](C)C	REAL300013343200	0	43	0.0	-104.58	343.71	7.17	-97.41
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=NC(C3=CC=C(F)C=N3)=NO2)CC1	REAL300013343308	0	46	0.0	-55.96	382.96	8.32	-47.64
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OC2=CC=C(C(F)(F)F)C=N2)CC1	REAL300013343314	0	42	0.0	-51.58	355.58	8.15	-43.43
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=C(F)C=CC=C2F)C1	REAL300013343326	0	36	0.0	-52.00	296.28	9.73	-42.27
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C3=CC=CC=C31)CC2C(=O)[O-]	REAL300013343372	0	45	0.0	-56.07	349.26	8.54	-47.53
COC(=O)C1CC2(C1)CN(C1=CC(C)=[NH+]C3=CC=C(F)C=C31)CC2C(=O)[O-]	REAL300013343378	0	48	0.0	-66.53	378.54	9.22	-57.31
CCC1=[NH+]C(C)=CC(N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)=N1	REAL300013343384	1	47	0.0	-58.54	370.14	8.58	-49.96
COC(=O)C1CC2(C1)CN(C1=CC(NCC3CC3)=[NH+]C=N1)CC2C(=O)[O-]	REAL300013343397	0	50	0.0	-65.50	393.91	8.90	-56.60
COC(=O)C1CC2(C1)CN(C1=CC(NCC3CC3)=NC=[NH+]1)CC2C(=O)[O-]	REAL300013343397	1	50	0.0	-60.94	393.71	9.29	-51.65
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C(C)=C1)CC2C(=O)[O-]	REAL300013343404	0	42	0.0	-56.28	331.02	7.03	-49.25
COC(=O)C1CC2(C1)CN(C1=CC(N3CCCCC3)=[NH+]C=N1)CC2C(=O)[O-]	REAL300013343410	0	53	0.0	-54.96	397.83	9.10	-45.86
COC(=O)C1CC2(C1)CN(C1=CC(N3CCCCC3)=NC=[NH+]1)CC2C(=O)[O-]	REAL300013343410	1	53	0.0	-50.29	400.34	9.26	-41.03
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C=C1Cl)CC2C(=O)[O-]	REAL300013343418	1	39	0.0	-60.26	325.74	7.22	-53.04
COC(=O)C1CC2(C1)CN(C1=CC=CC(C)=[NH+]1)CC2C(=O)[O-]	REAL300013343430	1	42	0.0	-48.43	329.16	7.82	-40.61
COC(=O)C1CC2(C1)CN(C1=CC(C)=CC=[NH+]1)CC2C(=O)[O-]	REAL300013343459	1	42	0.0	-59.39	331.57	8.07	-51.32
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C3=CC=C(Cl)C=C31)CC2C(=O)[O-]	REAL300013343469	1	45	0.0	-67.12	366.33	9.01	-58.11
COC(=O)C1CC2(C1)CN(C1=CC(C(F)(F)F)=CC=[NH+]1)CC2C(=O)[O-]	REAL300013343471	1	42	0.0	-67.09	348.87	7.95	-59.14
COC(=O)C1CC2(C1)CN(C1=CC(C)=[NH+]C(C)=N1)CC2C(=O)[O-]	REAL300013343487	1	44	0.0	-52.95	349.31	7.88	-45.07
COC(=O)C1CC2(C1)CN(C1=[NH+]C3=CC(C)=CC=C3C(C)=C1)CC2C(=O)[O-]	REAL300013343516	1	51	0.0	-45.88	393.05	10.55	-35.33
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C3=CC(Cl)=CC=C31)CC2C(=O)[O-]	REAL300013343539	1	45	0.0	-56.38	365.95	9.04	-47.34
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C(N(C)C)=N1)CC2C(=O)[O-]	REAL300013343555	0	46	0.0	-53.11	357.70	9.21	-43.90
COC(=O)C1CC2(C1)CN(C1=C3SC=CC3=[NH+]C=C1)CC2C(=O)[O-]	REAL300013343579	1	42	0.0	-53.44	346.62	7.70	-45.74
COC(=O)C1CC2(C1)CN(C1=C(C)C=[NH+]C3=CC=CC=C31)CC2C(=O)[O-]	REAL300013343587	0	48	0.0	-56.46	364.32	9.30	-47.16
COC(=O)C1CC2(C1)CN(C1=CC(NCC(C)O)=[NH+]C=N1)CC2C(=O)[O-]	REAL300013343593	0	50	0.0	-57.55	395.00	5.37	-52.18
COC(=O)C1CC2(C1)CN(C1=CC(NCC(C)O)=NC=[NH+]1)CC2C(=O)[O-]	REAL300013343593	1	50	0.0	-48.49	392.08	4.96	-43.53
COC(=O)C1CC2(C1)CN(C1=CC(N3C=CC=N3)=NC(N)=[NH+]1)CC2C(=O)[O-]	REAL300013343597	0	47	0.0	-45.71	378.84	8.69	-37.02
COC(=O)C1CC2(C1)CN(C1=[NH+]C=CC(N(C)C)=N1)CC2C(=O)[O-]	REAL300013343600	0	46	0.0	-50.64	359.46	9.20	-41.44
COC(=O)C1CC2(C1)CN(C1=[NH+]C=CC(N3CCOCC3)=N1)CC2C(=O)[O-]	REAL300013343605	0	51	0.0	-61.32	394.87	7.57	-53.75
COC(=O)C1CC2(C1)CN(C1=CC(C)=[NH+]C3=C(OC)C=CC=C13)CC2C(=O)[O-]	REAL300013343613	1	52	0.0	-55.03	399.42	8.52	-46.51
CCC1=[NH+]C2=CC=CC=C2C(N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)=C1	REAL300013343623	0	51	0.0	-48.55	397.46	10.29	-38.26
COC(=O)C1CC2(C1)CN(C1=CC(C(F)(F)F)=CC=[NH+]1)CC2C(=O)[O-]	REAL300013343626	1	42	0.0	-67.09	348.87	7.95	-59.14
COC(=O)C1CC2(C1)CN(C1=NC(C(C)C)=[NH+]C(N(C)C)=N1)CC2C(=O)[O-]	REAL300013343637	1	54	0.0	-57.85	417.50	12.04	-45.81
COC(=O)C1CC2(C1)CN(C1=[NH+]C(C(C)C)=NC(N(C)C)=N1)CC2C(=O)[O-]	REAL300013343637	1	54	0.0	-44.66	418.91	12.50	-32.16
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C(N3CCCCC3)=N1)CC2C(=O)[O-]	REAL300013343646	0	53	0.0	-56.35	402.22	10.24	-46.11
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C=C1C(N)=O)CC2C(=O)[O-]	REAL300013343654	0	43	0.0	-71.52	341.99	4.31	-67.21
CCC1=C(N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)C2=CC=CC=C2[NH+]=C1C	REAL300013343656	0	54	0.0	-54.28	402.42	10.45	-43.83
COC(=O)C1CC2(C1)CN(C1=[NH+]C(C)=CC3=CC=CC=C31)CC2C(=O)[O-]	REAL300013343658	0	48	0.0	-53.43	377.74	10.63	-42.80
COC(=O)C1CC2(C1)CN(C1=CC(C)=[NH+]C3=CC=C([N+](=O)[O-])C=C31)CC2C(=O)[O-]	REAL300013343666	0	50	0.0	-75.19	400.18	9.81	-65.38
COC(=O)C1CC2(C1)CN(C1=C(C)C(C)=[NH+]C3=CC=CC=C31)CC2C(=O)[O-]	REAL300013343671	0	51	0.0	-51.88	382.08	9.75	-42.13
COC(=O)C1CC2(C1)CN(C1=C(C)C=[NH+]C3=C(C)C=CC=C31)CC2C(=O)[O-]	REAL300013343679	0	51	0.0	-63.02	384.07	9.99	-53.03
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C=C1Br)CC2C(=O)[O-]	REAL300013343680	1	39	0.0	-59.85	330.13	7.40	-52.45
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C(C)=C1)CC2C(=O)[O-]	REAL300013343693	0	42	0.0	-56.28	331.02	7.03	-49.25
CCOC(=O)C1=C[NH+]=CC=C1N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013343697	1	48	0.0	-74.89	385.78	9.09	-65.80
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C=C1C)CC2C(=O)[O-]	REAL300013343709	0	42	0.0	-65.35	330.12	7.54	-57.81
CCCCNC1=CC(N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)=NC(N)=[NH+]1	REAL300013343725	0	54	0.0	-51.55	420.80	8.80	-42.75
CCCCNC1=CC(N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)=[NH+]C(N)=N1	REAL300013343725	1	54	0.0	-46.51	419.04	8.23	-38.28
COC(=O)C1CC2(C1)CN(C1=CC(C(F)(F)F)=CC=[NH+]1)CC2C(=O)[O-]	REAL300013343743	1	42	0.0	-67.09	348.87	7.95	-59.14
COC(=O)C1CC2(C1)CN(C1=[NH+]C=NC3=C1C1=C(C=CC=C1)N3)CC2C(=O)[O-]	REAL300013343796	1	48	0.0	-52.70	384.59	10.38	-42.32
CCCC1=CC2=C(N3CC(C(=O)[O-])C4(CC(C(=O)OC)C4)C3)C=C[NH+]=C2C=C1	REAL300013343800	0	54	0.0	-63.20	413.98	10.71	-52.49
CCC1=CC2=C(N3CC(C(=O)[O-])C4(CC(C(=O)OC)C4)C3)C=C[NH+]=C2C=C1	REAL300013343801	0	51	0.0	-63.07	392.48	9.93	-53.14
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C3=CC=C(OC(C)C)C=C31)CC2C(=O)[O-]	REAL300013343804	0	55	0.0	-67.84	418.88	9.36	-58.48
COC(=O)C1CC2(C1)CN(C1=CC(NC3CC3)=[NH+]C=N1)CC2C(=O)[O-]	REAL300013343809	0	47	0.0	-54.76	371.96	8.71	-46.05
COC(=O)C1CC2(C1)CN(C1=CC(NC3CC3)=NC=[NH+]1)CC2C(=O)[O-]	REAL300013343809	1	47	0.0	-50.71	370.24	8.16	-42.55
COC(=O)C1CC2(C1)CN(C1=CC(C)=[NH+]C3=CC=CC=C31)CC2C(=O)[O-]	REAL300013343832	0	48	0.0	-51.12	376.05	9.55	-41.57
COC(=O)C1CC2(C1)CN(C1=C3C=CNC3=NC=[NH+]1)CC2C(=O)[O-]	REAL300013343874	0	42	0.0	-47.33	336.26	8.21	-39.12
CCC1=CC(N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013343888	1	53	0.0	-53.30	421.30	10.06	-43.24
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C(C(C)C)=N1)CC2C(=O)[O-]	REAL300013343895	1	47	0.0	-73.38	368.95	8.46	-64.92
COC(=O)C1CC2(C1)CN(C1=[NH+]C=CC(N3CCCC3)=N1)CC2C(=O)[O-]	REAL300013343896	0	50	0.0	-51.00	385.50	9.26	-41.74
COC(=O)C1CC2(C1)CN(C1=CC(C)=[NH+]C=N1)CC2C(=O)[O-]	REAL300013343900	1	41	0.0	-55.95	325.83	7.41	-48.54
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C3=CC(F)=CC=C31)CC2C(=O)[O-]	REAL300013343911	0	45	0.0	-56.58	355.65	8.61	-47.97
COC(=O)C1CC2(C1)CN(C1=[NH+]C=CC3=CC=C(C)C=C31)CC2C(=O)[O-]	REAL300013343928	1	48	0.0	-52.68	377.66	10.71	-41.97
COC(=O)C1CC2(C1)CN(C1=NC=[NH+]C(N)=C1OC)CC2C(=O)[O-]	REAL300013343962	0	44	0.0	-62.80	354.45	5.63	-57.17
COC(=O)C1CC2(C1)CN(C1=[NH+]C=NC(N)=C1OC)CC2C(=O)[O-]	REAL300013343962	1	44	0.0	-51.51	348.56	5.62	-45.89
COC(=O)C1CC2(C1)CN(C1=C3SC=CC3=[NH+]C=C1)CC2C(=O)[O-]	REAL300013343971	1	42	0.0	-53.44	346.62	7.70	-45.74
COC(=O)C1CC2(C1)CN(C1=[NH+]C=CC=C1OC)CC2C(=O)[O-]	REAL300013343981	1	43	0.0	-63.34	335.70	6.86	-56.48
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C(CO)=C1)CC2C(=O)[O-]	REAL300013343982	0	43	0.0	-64.37	340.24	3.87	-60.50
COC(=O)C1CC2(C1)CN(C1=CC(NC3=CC=CC=C3)=[NH+]C(C)=N1)CC2C(=O)[O-]	REAL300013344019	0	53	0.0	-51.77	417.46	10.44	-41.33
COC(=O)C1CC2(C1)CN(C1=CC(NC3=CC=CC=C3)=NC(C)=[NH+]1)CC2C(=O)[O-]	REAL300013344019	1	53	0.0	-42.62	414.61	10.12	-32.50
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C(C)=C1Br)CC2C(=O)[O-]	REAL300013344022	0	42	0.0	-57.38	342.53	7.51	-49.87
COC(=O)C1CC2(C1)CN(C1=[NH+]C(C)=CC(N(C)C(C)C)=N1)CC2C(=O)[O-]	REAL300013344024	0	55	0.0	-53.37	421.44	11.21	-42.16
COC(=O)C1CC2(C1)CN(C1=[NH+]C(C)=CC(N3C=CC=N3)=N1)CC2C(=O)[O-]	REAL300013344027	1	48	0.0	-55.25	389.61	10.45	-44.80
COC(=O)C1CC2(C1)CN(C1=CC(C)=[NH+]C(N(C)C(C)C)=N1)CC2C(=O)[O-]	REAL300013344030	0	55	0.0	-50.01	419.77	11.83	-38.18
COC(=O)C1CC2(C1)CN(C1=[NH+]C=CC3=CC=CC(C)=C31)CC2C(=O)[O-]	REAL300013344063	1	48	0.0	-44.04	365.19	12.04	-32.00
COC(=O)C1CC2(C1)CN(C1=NC(C)=[NH+]C(N)=N1)CC2C(=O)[O-]	REAL300013344069	0	42	0.0	-63.17	338.85	7.91	-55.26
COC(=O)C1CC2(C1)CN(C1=[NH+]C(C)=NC(N)=N1)CC2C(=O)[O-]	REAL300013344069	1	42	0.0	-57.54	339.66	8.30	-49.24
COC(=O)C1CC2(C1)CN(C1=CC(C)=[NH+]C=N1)CC2C(=O)[O-]	REAL300013344077	1	41	0.0	-55.95	325.83	7.41	-48.54
COC(=O)C1CC2(C1)CN(C1=CC(CO)=CC=[NH+]1)CC2C(=O)[O-]	REAL300013344087	1	43	0.0	-62.44	343.02	4.72	-57.72
COC(=O)C1CC2(C1)CN(C1=C3C=CNC3=NC(C3CC3)=[NH+]1)CC2C(=O)[O-]	REAL300013344091	0	49	0.0	-56.03	383.28	9.69	-46.34
COC(=O)C1CC2(C1)CN(C1=CC(N(C)C)=[NH+]C(N(C)C)=N1)CC2C(=O)[O-]	REAL300013344097	1	54	0.0	-55.50	412.86	11.19	-44.31
COC(=O)C1CC2(C1)CN(C1=CC(N(C)C)=NC(N(C)C)=[NH+]1)CC2C(=O)[O-]	REAL300013344097	1	54	0.0	-43.43	411.90	11.01	-32.42
COC(=O)C1CC2(C1)CN(C1=CC=[NH+]C3=C(Cl)C(C)=CC=C13)CC2C(=O)[O-]	REAL300013344104	1	48	0.0	-49.52	382.17	9.68	-39.84
O=C([O-])C1=CC=C[NH+]=C1N1C[C@H]2COC[C@@]2(C2=CC=CC=C2)C1	REAL300013344111	0	41	0.0	-54.48	317.69	8.61	-45.87
O=C([O-])C1=CN=C(NC2CCC[N@@H+]3CCSCC23)C(Cl)=C1	REAL300013344133	1	39	0.0	-70.22	320.55	9.18	-61.04
O=C([O-])C1=CN=C(NC2CCC[N@H+]3CCSCC23)C(Cl)=C1	REAL300013344133	1	39	0.0	-70.26	320.56	9.20	-61.06
O=C([O-])C1=CC2=C(NC3CCC[N@@H+]4CCSCC34)N=CNC2=N1	REAL300013344134	0	42	0.0	-100.67	333.76	9.53	-91.14
O=C([O-])C1=CC2=C(NC3CCC[N@H+]4CCSCC34)N=CNC2=N1	REAL300013344134	1	42	0.0	-107.79	338.14	9.06	-98.73
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(CC(F)(F)C2(F)F)C1	REAL300013344136	0	33	0.0	-47.34	280.73	8.19	-39.15
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(CC1)CNC(=O)C1=CC=CC=C1O2	REAL300013344150	0	45	0.0	-50.54	354.20	7.14	-43.40
O=C([O-])CN(CC1CC1)C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013344173	0	47	0.0	-41.34	364.34	7.95	-33.39
O=C([O-])CN(CC1CC1)C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013344173	1	47	0.0	-49.59	364.24	7.91	-41.68
O=C([O-])CN(CC1CC1)C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013344186	0	38	0.0	-49.85	319.44	9.25	-40.60
CC(C)(C)C1=CC(N(CC(=O)[O-])CC2CC2)=NC(C(C)(C)C)=[NH+]1	REAL300013344191	1	52	0.0	-42.59	395.52	12.57	-30.02
O=C([O-])CN(CC1CC1)C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013344223	1	35	0.0	-48.25	302.15	8.86	-39.39
COC1=CC=CC2=C(N(CC(=O)[O-])CC3CC3)C=C(C)[NH+]=C12	REAL300013344245	1	42	0.0	-38.31	330.69	8.05	-30.26
O=C([O-])CN(CC1CC1)C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013344256	0	47	0.0	-39.67	362.56	7.12	-32.55
O=C([O-])CN(CC1CC1)C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013344256	1	47	0.0	-46.80	365.67	7.43	-39.37
CN1CCN(C2=CC(N(CC(=O)[O-])CC3CC3)=[NH+]C=N2)CC1=O	REAL300013344266	0	44	0.0	-48.74	349.22	8.66	-40.08
CN1CCN(C2=CC(N(CC(=O)[O-])CC3CC3)=NC=[NH+]2)CC1=O	REAL300013344266	1	44	0.0	-47.54	344.39	7.96	-39.58
O=C([O-])CN(CC1CC1)C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013344281	0	46	0.0	-54.58	371.15	11.07	-43.51
CC(C)NC1=[NH+]C(NCCO)=NC(N(CC(=O)[O-])CC2CC2)=N1	REAL300013344289	0	47	0.0	-45.27	381.16	10.55	-34.72
CC(C)NC1=NC(NCCO)=[NH+]C(N(CC(=O)[O-])CC2CC2)=N1	REAL300013344289	1	47	0.0	-30.93	377.24	10.34	-20.59
CC(C)NC1=NC(NCCO)=NC(N(CC(=O)[O-])CC2CC2)=[NH+]1	REAL300013344289	1	47	0.0	-31.61	380.79	10.51	-21.10
CC(O)C1CCN(C2=CC(N(CC(=O)[O-])CC3CC3)=[NH+]C=N2)C1	REAL300013344312	0	47	0.0	-41.57	361.91	8.00	-33.57
CC(O)C1CCN(C2=CC(N(CC(=O)[O-])CC3CC3)=NC=[NH+]2)C1	REAL300013344312	1	47	0.0	-48.42	364.95	7.72	-40.70
CC(C)OC1=CC2=C(N(CC(=O)[O-])CC3CC3)C=C[NH+]=C2C=C1	REAL300013344316	0	45	0.0	-54.75	349.80	9.03	-45.72
C[NH+](C)CC1=NC(N(CC(=O)[O-])CC2CC2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013344398	1	52	0.0	-55.81	412.02	12.77	-43.04
O=C([O-])CN(CC1CC1)C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013344399	1	35	0.0	-52.25	302.23	8.86	-43.39
CCOC1=CC2=[NH+]C=CC(N(CC(=O)[O-])CC3CC3)=C2C=C1OCC	REAL300013344411	0	49	0.0	-48.49	381.50	9.10	-39.39
CCC1=CC(N(CC(=O)[O-])CC2CC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013344413	1	43	0.0	-41.63	354.20	10.99	-30.64
COC1=CC2=[NH+]C=CC(N(CC(=O)[O-])CC3CC3)=C2C=C1Br	REAL300013344435	0	39	0.0	-52.85	330.70	8.23	-44.62
CC1(C)CCCN(C2=CC=[NH+]C(N(CC(=O)[O-])CC3CC3)=N2)C1	REAL300013344440	0	49	0.0	-36.90	373.06	12.43	-24.47
COC1=CC2=[NH+]C=CC(N(CC(=O)[O-])CC3CC3)=C2C=C1OC	REAL300013344447	0	43	0.0	-51.49	339.36	7.50	-43.99
O=C([O-])CN(CC1CC1)C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013344460	0	44	0.0	-39.22	353.07	12.50	-26.72
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N(CC(=O)[O-])CC2CC2)=N1	REAL300013344477	0	43	0.0	-43.08	350.88	11.83	-31.25
CC1=NC(NC2=CC=CC=C2)=CC(N(CC(=O)[O-])CC2CC2)=[NH+]1	REAL300013344477	1	43	0.0	-38.08	350.33	12.18	-25.90
CN(C1=CC=[NH+]C(N(CC(=O)[O-])CC2CC2)=N1)C1CCCCC1	REAL300013344480	0	49	0.0	-35.01	373.40	14.00	-21.01
CC1=CC(N(C)C2=CC=CC=C2)=NC(N(CC(=O)[O-])CC2CC2)=[NH+]1	REAL300013344483	0	46	0.0	-31.92	375.29	14.74	-17.18
CN(C1=[NH+]C=CC(N(CC(=O)[O-])CC2CC2)=N1)C1CCCCC1	REAL300013344486	0	49	0.0	-42.79	373.18	14.06	-28.73
CC1=CC(N(CC(=O)[O-])CC2CC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013344488	1	46	0.0	-48.28	374.16	14.72	-33.56
O=C([O-])CN(CC1CC1)C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013344509	0	39	0.0	-49.51	326.77	8.05	-41.46
CC1=C(Cl)C2=[NH+]C=CC(N(CC(=O)[O-])CC3CC3)=C2C=C1	REAL300013344513	1	38	0.0	-41.91	314.96	9.41	-32.50
COC(=O)C(CNC1=[NH+]C=CC=C1C(=O)[O-])CC1=CC=CC=C1	REAL300013344517	0	41	0.0	-50.04	335.12	9.97	-40.07
CN(CCC1=CC=C2OCOC2=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013344533	0	38	0.0	-49.54	314.18	8.18	-41.36
CN(C)C1=CC=[NH+]C(CNC2=NC=C(C(=O)[O-])C=C2Cl)=C1	REAL300013344544	1	36	0.0	-59.85	314.25	6.59	-53.26
CN(C)C1=CC=[NH+]C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)=C1	REAL300013344545	1	39	0.0	-93.61	327.42	6.93	-86.68
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CCC2=CC=CC=C2)CC1	REAL300013344555	0	45	0.0	-52.03	351.10	12.06	-39.97
O=C([O-])C1=CC=C[NH+]=C1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1	REAL300013344580	0	36	0.0	-43.95	285.58	8.89	-35.06
CC1(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)COC(=O)N1	REAL300013344599	0	41	0.0	-53.40	313.21	5.23	-48.17
CC1=CSC(CC2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=N1	REAL300013344622	0	41	0.0	-57.36	335.42	8.92	-48.44
CC1([NH+]2CCCC2)CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013344640	0	47	0.0	-78.20	334.94	8.49	-69.71
CC1([NH+]2CCCC2)CCC(NC2=NC=CC=C2C(=O)[O-])CC1	REAL300013344641	0	47	0.0	-50.75	328.10	9.48	-41.27
CC1([NH+]2CCCC2)CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013344642	0	47	0.0	-65.46	352.02	9.47	-55.99
CC1([NH+]2CCCC2)CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013344643	0	47	0.0	-78.20	334.94	8.49	-69.71
CC1([NH+]2CCCC2)CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013344644	0	47	0.0	-78.20	334.94	8.49	-69.71
CC1([NH+]2CCCC2)CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013344645	0	50	0.0	-92.32	360.76	10.13	-82.19
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(C2=NC3=C(CCC3)S2)C1	REAL300013344647	0	42	0.0	-55.80	340.52	9.67	-46.13
CCC1([NH+]2CCC2)CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013344658	0	44	0.0	-63.79	326.20	7.92	-55.87
CCC1([NH+]2CCC2)CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013344659	0	47	0.0	-98.27	332.87	9.15	-89.12
O=C([O-])C1=CC=CC(N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)CC[C@@H]3C2)=N1	REAL300013344676	0	48	0.0	-66.26	362.38	10.68	-55.58
O=C([O-])C1=CC=CC(N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)CC[C@@H]3C2)=N1	REAL300013344676	1	48	0.0	-58.99	362.41	10.56	-48.43
O=C([O-])C1=CC=CN=C1N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300013344677	0	48	0.0	-72.16	357.77	11.67	-60.49
O=C([O-])C1=CC=CN=C1N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300013344677	1	48	0.0	-68.60	357.93	11.47	-57.13
O=C([O-])C1=CN=C(N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)CC[C@@H]3C2)C(Cl)=C1	REAL300013344678	0	48	0.0	-68.89	377.46	11.14	-57.75
O=C([O-])C1=CN=C(N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)CC[C@@H]3C2)C(Cl)=C1	REAL300013344678	1	48	0.0	-61.67	373.06	10.99	-50.68
O=C([O-])C1=CC=CC(N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)CC[C@@H]3C2)=N1	REAL300013344679	0	48	0.0	-66.26	362.38	10.68	-55.58
O=C([O-])C1=CC=CC(N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)CC[C@@H]3C2)=N1	REAL300013344679	1	48	0.0	-58.99	362.41	10.56	-48.43
O=C([O-])C1=CC=CC(N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)CC[C@@H]3C2)=N1	REAL300013344680	0	48	0.0	-66.26	362.38	10.68	-55.58
O=C([O-])C1=CC=CC(N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)CC[C@@H]3C2)=N1	REAL300013344680	1	48	0.0	-58.99	362.41	10.56	-48.43
O=C([O-])C1=CC2=C(N3C[C@@H]4C[N@@H+](CC5=CC=CC=C5)CC[C@@H]4C3)N=CNC2=N1	REAL300013344681	0	51	0.0	-111.24	388.39	12.47	-98.77
O=C([O-])C1=CC2=C(N3C[C@@H]4C[N@H+](CC5=CC=CC=C5)CC[C@@H]4C3)N=CNC2=N1	REAL300013344681	1	51	0.0	-101.71	388.83	12.57	-89.14
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=C3C=CNC3=CC=C2)CC1	REAL300013344685	0	43	0.0	-53.74	337.73	10.43	-43.31
CC1(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)COC(=O)N1	REAL300013344705	0	41	0.0	-50.85	314.76	5.76	-45.09
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(CC2=NC=CS2)C1	REAL300013344713	0	38	0.0	-57.06	313.62	8.32	-48.74
COC(=O)[C@@H]1CCO[C@H]1C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013344719	0	46	0.0	-61.65	357.81	8.44	-53.21
CC1CN(C2=CC=[NH+]C=C2)CCN1C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013344728	0	40	0.0	-67.05	333.12	6.07	-60.98
CC1CN(C2=CC=[NH+]C=C2)CCN1C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013344729	0	43	0.0	-99.19	350.59	7.49	-91.70
CCC(C[NH+]1CCOCC1)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013344731	1	44	0.0	-101.14	340.69	7.64	-93.50
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=CC3=C2NC(=O)N3)CC1	REAL300013344733	0	42	0.0	-50.91	338.51	4.88	-46.03
CCC(CNC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013344771	0	46	0.0	-46.95	355.50	5.32	-41.63
CCC(CNC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013344771	1	46	0.0	-51.54	348.12	5.20	-46.34
CCC(CNC1=CC(NC2=CC=C(OC)C=C2OC)=NC=[NH+]1)C(=O)[O-]	REAL300013344773	1	47	0.0	-47.91	376.74	8.45	-39.46
CCC(CNC1=NC2=CC(OC)=C(OC)C=C2C(N)=[NH+]1)C(=O)[O-]	REAL300013344787	0	43	0.0	-50.33	339.43	6.59	-43.74
CCC(CNC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013344792	0	37	0.0	-49.17	309.75	8.25	-40.92
CCC(CNC1=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N1)C(=O)[O-]	REAL300013344796	1	51	0.0	-42.21	379.73	9.89	-32.32
CCC(CNC1=CC(C)=[NH+]C(C2=CC=C([N+](=O)[O-])C=C2)=N1)C(=O)[O-]	REAL300013344803	1	42	0.0	-58.05	354.69	10.01	-48.04
CCC(CNC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013344828	1	34	0.0	-47.57	292.48	7.86	-39.71
CCC(CNC1=C(C)C(C)=[NH+]C2=CC=C(Br)C=C21)C(=O)[O-]	REAL300013344848	0	40	0.0	-53.67	336.02	8.86	-44.81
CCOC(=O)C1=C(NCC(CC)C(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013344871	1	46	0.0	-69.22	377.82	7.60	-61.62
CCOC(=O)C1=C(NCC(CC)C(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013344872	1	49	0.0	-53.78	377.01	9.93	-43.85
CCC(CNC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013344887	0	46	0.0	-45.81	353.80	4.49	-41.32
CCC(CNC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013344887	1	46	0.0	-51.50	354.59	4.70	-46.80
CCC(CNC1=CC(C)=[NH+]C2=CC=C([N+](=O)[O-])C=C12)C(=O)[O-]	REAL300013344891	0	39	0.0	-55.84	320.48	8.40	-47.44
CCC(CNC1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013344898	0	43	0.0	-51.44	340.53	6.04	-45.40
CCC(CNC1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013344898	1	43	0.0	-53.57	333.64	5.24	-48.33
CCC(CNC1=CC(NC2CCCOC2C(C)C)=NC=[NH+]1)C(=O)[O-]	REAL300013344904	0	52	0.0	-43.86	393.39	8.64	-35.22
CCC(CNC1=CC(NC2CCCOC2C(C)C)=[NH+]C=N1)C(=O)[O-]	REAL300013344904	1	52	0.0	-48.01	387.16	8.84	-39.17
CCC(CNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013344916	0	45	0.0	-52.67	359.88	10.00	-42.67
CCC(CNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013344922	1	41	0.0	-39.46	344.30	10.06	-29.40
CCC(CNC1=[NH+]C(NCCO)=NC(NC(C)C)=N1)C(=O)[O-]	REAL300013344935	0	46	0.0	-40.51	365.11	7.83	-32.68
CCC(CNC1=NC(NCCO)=NC(NC(C)C)=[NH+]1)C(=O)[O-]	REAL300013344935	1	46	0.0	-38.46	364.45	7.80	-30.66
CCC(CNC1=NC(NCCO)=[NH+]C(NC(C)C)=N1)C(=O)[O-]	REAL300013344935	1	46	0.0	-48.79	369.41	7.77	-41.02
CCNC1=[NH+]C(NCC(CC)C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013344942	0	48	0.0	-41.24	371.30	12.03	-29.21
CCNC1=NC(NCC(CC)C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013344942	1	48	0.0	-45.85	369.12	11.72	-34.13
CCNC1=NC(NCC(CC)C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013344942	1	48	0.0	-37.81	368.34	12.12	-25.69
CCC(CNC1=CC(N(C)C2=CC=CC=C2)=NC=[NH+]1)C(=O)[O-]	REAL300013344951	1	42	0.0	-45.97	341.36	9.81	-36.16
CCC(CNC1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013344966	0	46	0.0	-43.72	348.06	5.80	-37.92
CCC(CNC1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013344966	1	46	0.0	-48.36	348.89	5.00	-43.36
CCC(CNC1=CC=[NH+]C2=CC=C(OC(C)C)C=C12)C(=O)[O-]	REAL300013344969	0	44	0.0	-52.47	340.37	8.00	-44.47
CCOC(=O)C1=C(C)C2=C(NCC(CC)C(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013345001	1	53	0.0	-64.35	429.60	10.35	-54.00
CCC(CNC1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300013345005	0	50	0.0	-86.72	407.85	5.49	-81.23
CCC1=CC(NCC(CC)C(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013345053	1	45	0.0	-52.76	371.12	10.77	-41.99
CCC(CNC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013345070	1	51	0.0	-59.60	416.03	11.82	-47.78
CCC(CNC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013345071	1	34	0.0	-50.59	292.40	7.78	-42.81
CCC(CNC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013345077	1	34	0.0	-45.11	294.77	7.82	-37.29
CCOC1=CC2=[NH+]C=CC(NCC(CC)C(=O)[O-])=C2C=C1OCC	REAL300013345084	0	48	0.0	-53.51	378.25	8.20	-45.31
CCC1=CC(NCC(CC)C(=O)[O-])=NC(C2=CC=NC=C2)=[NH+]1	REAL300013345085	1	42	0.0	-47.73	338.11	8.32	-39.41
CCC(CNC1=CC=[NH+]C2=CC(OC)=C(Br)C=C12)C(=O)[O-]	REAL300013345113	0	38	0.0	-55.15	325.89	7.09	-48.06
CCC(CNC1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)C(=O)[O-]	REAL300013345120	0	48	0.0	-47.28	355.37	10.28	-37.00
CCC(CNC1=C2CCCCC2=[NH+]C2=CC(F)=C(C)C=C21)C(=O)[O-]	REAL300013345124	0	47	0.0	-49.79	363.49	10.18	-39.61
CCC(CNC1=CC=[NH+]C2=CC(OC)=C(OC)C=C12)C(=O)[O-]	REAL300013345128	0	42	0.0	-53.61	334.54	6.36	-47.25
CCC(CNC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013345142	0	43	0.0	-53.04	345.98	9.93	-43.11
CCC(CNC1=CC(C)=[NH+]C2=C(Cl)C(C)=CC=C12)C(=O)[O-]	REAL300013345152	0	40	0.0	-41.85	330.46	8.85	-33.00
CCC(CNC1=CC(NC2=CC=CC=C2)=[NH+]C(C)=N1)C(=O)[O-]	REAL300013345155	0	42	0.0	-43.42	335.02	9.14	-34.28
CCC(CNC1=CC(NC2=CC=CC=C2)=NC(C)=[NH+]1)C(=O)[O-]	REAL300013345155	1	42	0.0	-39.20	336.14	9.75	-29.45
CCC(CNC1=[NH+]C=CC(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013345159	0	48	0.0	-48.46	362.10	11.24	-37.22
CCC(CNC1=[NH+]C(C)=CC(N(C)C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300013345161	0	45	0.0	-45.29	357.06	11.23	-34.06
CCC(CNC1=CC=[NH+]C(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013345163	0	48	0.0	-53.35	361.62	11.36	-41.99
CCC(CNC1=CC(C)=[NH+]C(N(C)C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300013345165	1	45	0.0	-47.90	358.38	12.05	-35.85
CCC(CNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013345196	0	38	0.0	-48.89	317.11	7.05	-41.84
COC(=O)C1=CC=C2NC=C(C3CCN(C4=[NH+]C=CC=C4C(=O)[O-])CC3)C2=C1	REAL300013345205	0	49	0.0	-50.86	396.93	11.24	-39.62
C[NH+](C)CCC(NC1=CC=CC(C(=O)[O-])=N1)C1=CC=CN=C1	REAL300013345210	0	42	0.0	-80.52	341.38	8.04	-72.48
C[NH+](C)CCC(NC1=NC=C(C(=O)[O-])C=C1Cl)C1=CC=CN=C1	REAL300013345211	0	42	0.0	-72.41	357.55	8.98	-63.43
C[NH+](C)CCC(NC1=CC=CC(C(=O)[O-])=N1)C1=CC=CN=C1	REAL300013345212	0	42	0.0	-80.52	341.38	8.04	-72.48
C[NH+](C)CCC(NC1=CC=CC(C(=O)[O-])=N1)C1=CC=CN=C1	REAL300013345213	0	42	0.0	-80.52	341.38	8.04	-72.48
C[NH+](C)CCC(NC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1=CC=CN=C1	REAL300013345214	0	45	0.0	-104.96	370.73	9.31	-95.65
CC1=NC(CC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=NO1	REAL300013345227	0	40	0.0	-52.02	321.98	6.76	-45.26
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(CNC2=CC=C(Cl)C=C2)C1	REAL300013345236	0	44	0.0	-51.11	361.19	10.13	-40.98
O=C([O-])C1=CC=C[NH+]=C1N1CCCC1C1=CN=CC(Br)=C1	REAL300013345242	0	35	0.0	-53.11	301.14	8.76	-44.35
CC1=CC=C(NCCNC2=NC=C(C(=O)[O-])C=C2Cl)[NH+]=C1	REAL300013345272	1	36	0.0	-62.26	319.22	6.77	-55.49
CC1=CC=C(NCCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[NH+]=C1	REAL300013345273	1	39	0.0	-96.31	332.40	7.10	-89.21
CC1=CC=CC(NCCNC2=NC=C(C(=O)[O-])C=C2Cl)=[NH+]1	REAL300013345274	1	36	0.0	-60.85	319.16	6.71	-54.14
CC1=CC=CC(NCCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)=[NH+]1	REAL300013345275	1	39	0.0	-94.55	332.34	7.04	-87.51
O=C([O-])C1=CC=C[NH+]=C1N1CCC(S(=O)(=O)N2CCCCC2)CC1	REAL300013345282	0	47	0.0	-62.90	365.04	6.98	-55.92
CC1=CSC(CC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=N1	REAL300013345318	0	38	0.0	-55.65	319.66	8.22	-47.43
CC1=CC2=C(C=C1Br)CN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013345336	0	36	0.0	-49.82	308.04	10.29	-39.53
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC(F)=C(Br)C=C2C1	REAL300013345342	0	33	0.0	-39.79	283.28	8.84	-30.95
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC(Cl)=CC(Br)=C2C1	REAL300013345358	0	33	0.0	-48.93	303.42	10.10	-38.83
CC1=[NH+]C2=CC=C(F)C=C2C(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300013345399	0	41	0.0	-42.17	341.54	10.32	-31.85
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013345404	0	44	0.0	-42.99	360.92	10.49	-32.50
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013345404	1	44	0.0	-44.80	359.66	10.12	-34.68
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC(NCC2CC2)=NC=[NH+]1	REAL300013345414	0	43	0.0	-40.29	353.54	10.27	-30.02
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC(NCC2CC2)=[NH+]C=N1	REAL300013345414	1	43	0.0	-45.45	353.53	10.26	-35.19
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC(N2CCCC2)=NC=[NH+]1	REAL300013345424	0	43	0.0	-40.13	343.91	9.87	-30.26
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC(N2CCCC2)=[NH+]C=N1	REAL300013345424	1	43	0.0	-43.80	343.83	9.57	-34.23
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC(N2CCCCC2)=NC=[NH+]1	REAL300013345425	0	46	0.0	-42.19	361.57	10.61	-31.58
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC(N2CCCCC2)=[NH+]C=N1	REAL300013345425	1	46	0.0	-45.73	359.17	10.45	-35.28
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013345426	0	50	0.0	-45.14	393.20	7.89	-37.25
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013345426	1	50	0.0	-46.75	390.83	7.73	-39.02
COC1=CC2=NC(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013345444	0	47	0.0	-37.16	382.03	9.25	-27.91
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12	REAL300013345451	0	41	0.0	-42.00	352.14	10.74	-31.26
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC=C(Cl)C=C12	REAL300013345462	1	38	0.0	-43.20	329.76	10.22	-32.98
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC(N2CCOCC2)=NC=[NH+]1	REAL300013345470	0	44	0.0	-42.44	352.44	8.21	-34.23
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC(N2CCOCC2)=[NH+]C=N1	REAL300013345470	1	44	0.0	-44.39	350.27	8.01	-36.38
CC1=CC2=[NH+]C(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])=CC(C)=C2C=C1	REAL300013345493	1	44	0.0	-34.36	355.41	11.68	-22.68
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC(Cl)=CC=C12	REAL300013345510	1	38	0.0	-40.92	330.30	10.24	-30.68
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013345520	1	38	0.0	-40.81	334.86	10.35	-30.46
NC1=[NH+]C(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=CC(N2C=CC=N2)=N1	REAL300013345553	1	40	0.0	-45.36	341.49	9.82	-35.54
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=[NH+]C=CC(N2CCOCC2)=N1	REAL300013345555	0	44	0.0	-35.73	351.99	8.93	-26.80
COC1=CC=CC2=C(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])C=C(C)[NH+]=C12	REAL300013345558	1	45	0.0	-37.26	363.24	9.74	-27.52
CC(C)C1=[NH+]C(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=NC(N(C)C)=N1	REAL300013345578	1	47	0.0	-28.32	376.67	14.09	-14.23
CC(C)C1=NC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013345578	1	47	0.0	-43.37	377.96	14.08	-29.29
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC=[NH+]C(N2CCCCC2)=N1	REAL300013345585	0	46	0.0	-40.98	361.28	11.06	-29.92
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013345596	0	50	0.0	-41.78	391.24	7.13	-34.65
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013345596	1	50	0.0	-47.65	392.25	7.26	-40.39
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC=[NH+]C=C1Br	REAL300013345611	1	32	0.0	-46.71	289.62	8.17	-38.54
CN1CCN(C2=CC(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013345612	0	47	0.0	-50.59	378.24	8.60	-41.99
CN1CCN(C2=CC(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013345612	1	47	0.0	-38.91	370.44	7.81	-31.10
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013345632	0	49	0.0	-44.67	404.21	12.59	-32.08
CCCCNC1=CC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]C(N)=N1	REAL300013345643	0	47	0.0	-36.97	380.27	9.58	-27.39
CCCCNC1=CC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=NC(N)=[NH+]1	REAL300013345643	1	47	0.0	-42.18	380.27	9.58	-32.60
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC=[NH+]C=C1Br	REAL300013345648	1	32	0.0	-46.71	289.62	8.17	-38.54
CC(C)NC1=NC(NCCO)=[NH+]C(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013345653	0	50	0.0	-28.13	407.18	10.40	-17.73
CC(C)NC1=NC(NCCO)=NC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]1	REAL300013345653	1	50	0.0	-29.85	406.53	10.39	-19.46
CC(C)NC1=[NH+]C(NCCO)=NC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013345653	1	50	0.0	-45.98	407.77	10.43	-35.55
CCNC1=[NH+]C(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013345665	0	52	0.0	-27.49	409.15	14.66	-12.83
CCNC1=NC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013345665	1	52	0.0	-27.24	406.49	14.35	-12.89
CCNC1=NC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013345665	1	52	0.0	-43.34	411.21	14.78	-28.56
CN(C1=CC=CC=C1)C1=CC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]C=N1	REAL300013345679	1	46	0.0	-44.59	379.06	12.40	-32.19
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12	REAL300013345697	1	38	0.0	-42.39	335.52	10.27	-32.12
CC(O)C1CCN(C2=CC(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])=[NH+]C=N2)C1	REAL300013345698	0	50	0.0	-44.28	390.64	8.22	-36.06
CC(O)C1CCN(C2=CC(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])=NC=[NH+]2)C1	REAL300013345698	1	50	0.0	-48.52	391.53	7.55	-40.97
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2	REAL300013345701	1	41	0.0	-33.66	340.16	11.67	-21.99
CCCC1=CC2=C(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013345703	0	47	0.0	-41.61	377.40	11.91	-29.70
CCC1=CC2=C(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013345704	0	44	0.0	-42.42	356.69	11.11	-31.31
CC(C)OC1=CC2=C(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013345708	0	48	0.0	-45.29	382.95	10.54	-34.75
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013345806	1	38	0.0	-43.00	334.32	10.33	-32.67
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013345811	1	38	0.0	-37.84	332.48	10.38	-27.46
CCOC1=CC2=[NH+]C=CC(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])=C2C=C1OCC	REAL300013345823	0	52	0.0	-43.43	415.16	10.80	-32.63
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=[NH+]C=CC(N2CCCC2)=N1	REAL300013345833	0	43	0.0	-33.61	344.58	10.71	-22.90
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC(F)=CC=C12	REAL300013345850	0	38	0.0	-41.13	320.00	9.81	-31.32
CC1(C)CCCN(C2=CC=[NH+]C(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])=N2)C1	REAL300013345869	0	52	0.0	-35.31	399.36	12.34	-22.97
CC1=CC(C(F)(F)F)=CC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]1	REAL300013345875	1	38	0.0	-41.65	330.60	9.94	-31.71
COC1=CC2=[NH+]C=CC(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])=C2C=C1OC	REAL300013345880	0	46	0.0	-44.52	372.24	8.94	-35.58
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013345907	0	47	0.0	-36.45	383.82	12.56	-23.89
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300013345938	1	46	0.0	-39.11	377.69	11.69	-27.42
CC1=NC(NC2=CC=CC=C2)=CC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]1	REAL300013345938	1	46	0.0	-39.22	377.08	11.31	-27.91
CC1=[NH+]C=CC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=C1Br	REAL300013345941	0	35	0.0	-44.39	307.80	8.66	-35.73
CN(C1=CC=[NH+]C(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=N1)C1CCCCC1	REAL300013345943	0	52	0.0	-34.62	399.08	14.00	-20.62
CC1=CC(N(C)C(C)C)=NC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]1	REAL300013345944	0	48	0.0	-32.15	379.00	12.63	-19.52
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=[NH+]C=CC(N2C=CN=C2)=N1	REAL300013345945	1	38	0.0	-41.01	324.09	12.45	-28.56
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]1	REAL300013345948	0	49	0.0	-32.71	400.46	13.81	-18.90
CC1=CC(N2C=CC=N2)=NC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]1	REAL300013345949	1	41	0.0	-31.99	347.33	11.78	-20.21
CC1=CC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=NC(N(C)C(C)C)=[NH+]1	REAL300013345952	0	48	0.0	-40.01	379.22	12.62	-27.39
CN(C1=[NH+]C=CC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=N1)C1CCCCC1	REAL300013345955	0	52	0.0	-42.08	399.06	13.98	-28.10
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=C2C=CNC2=NC(C2CC2)=[NH+]1	REAL300013345986	1	42	0.0	-32.01	347.11	11.02	-20.99
O=C([O-])[C@H](CC1=CC=CC=C1)NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013345987	0	42	0.0	-41.81	359.74	9.48	-32.33
CN(C)C1=CC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=[NH+]C(N(C)C)=N1	REAL300013345993	0	47	0.0	-35.63	374.49	12.24	-23.39
CN(C)C1=CC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013345993	1	47	0.0	-40.11	370.78	12.08	-28.03
CC1=C(Cl)C2=[NH+]C=CC(N[C@@H](CC3=CC=CC=C3)C(=O)[O-])=C2C=C1	REAL300013345999	1	41	0.0	-37.36	346.62	10.89	-26.47
C[N@@H+]1C[C@@H]2CN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C[C@]2(C)C1	REAL300013346003	0	41	0.0	-101.28	316.92	8.55	-92.73
C[N@H+]1C[C@@H]2CN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C[C@]2(C)C1	REAL300013346003	1	41	0.0	-101.28	316.64	8.54	-92.74
CN(CCC1=CC=C2OCOC2=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013346009	0	38	0.0	-49.54	314.18	8.18	-41.36
CC1(C)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1C1=CC=CC=C1	REAL300013346021	0	45	0.0	-51.35	332.66	10.95	-40.40
NS(=O)(=O)C1=CC=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013346033	0	44	0.0	-59.59	361.80	5.41	-54.18
NC1=[NH+]C(C2CC2)=NC(N2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=N1	REAL300013346040	1	44	0.0	-70.14	354.99	8.98	-61.16
NC1=[NH+]C(C2CC2)=NC(N2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)=N1	REAL300013346042	1	44	0.0	-59.45	373.61	9.55	-49.90
NC1=NC(C2CC2)=[NH+]C(N2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)=N1	REAL300013346042	1	44	0.0	-55.25	372.33	9.50	-45.75
NC1=[NH+]C(C2CC2)=NC(N2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=N1	REAL300013346043	1	44	0.0	-70.14	354.99	8.98	-61.16
NC1=[NH+]C(C2CC2)=NC(N2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)=N1	REAL300013346044	1	44	0.0	-70.14	354.99	8.98	-61.16
NC1=[NH+]C(C2CC2)=NC(N2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)=N1	REAL300013346045	1	47	0.0	-93.52	380.42	10.91	-82.61
NC1=NC(C2CC2)=[NH+]C(N2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)=N1	REAL300013346045	1	47	0.0	-87.11	379.11	10.84	-76.27
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2CCCCC2)CC1	REAL300013346047	0	48	0.0	-49.77	349.96	11.44	-38.33
CC1=NOC(CC2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=N1	REAL300013346053	0	40	0.0	-57.11	321.86	7.05	-50.06
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CN2CCNC2=O)CC1	REAL300013346059	0	42	0.0	-64.43	326.19	5.98	-58.45
N#CC1=CC=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013346071	0	40	0.0	-54.61	328.35	10.83	-43.78
O=C([O-])C1=CC=C[NH+]=C1N1CCC(N2CCCOC2=O)CC1	REAL300013346077	0	41	0.0	-70.88	314.92	7.40	-63.48
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(NC(=O)C2=CC=C(Cl)C=C2)C1	REAL300013346095	0	43	0.0	-63.20	362.81	8.98	-54.22
CS(=O)(=O)CC1CN(C2=[NH+]C=CC=C2C(=O)[O-])CCO1	REAL300013346101	0	36	0.0	-64.68	304.33	3.37	-61.31
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=NC=CC(C(F)(F)F)=N2)C1	REAL300013346133	0	37	0.0	-52.66	319.45	7.90	-44.76
COC1=C(Cl)C=C2NC3=C(CN(C4=[NH+]C=CC=C4C(=O)[O-])CC3)C2=C1	REAL300013346159	0	41	0.0	-40.17	334.06	8.02	-32.15
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(Cl)C=CC(Br)=C2C1	REAL300013346165	0	33	0.0	-48.92	301.01	10.04	-38.88
CC(C)CNC(=O)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013346180	0	45	0.0	-61.38	350.15	7.53	-53.85
O=C([O-])C1=CC=C[NH+]=C1N1CC2C(C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	REAL300013346186	0	36	0.0	-49.99	314.67	8.83	-41.16
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CO)(C(F)(F)F)CC1	REAL300013346211	0	36	0.0	-56.24	287.85	5.13	-51.11
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(CC1)CC(O)CNC2=O	REAL300013346229	0	41	0.0	-45.48	307.94	2.48	-43.00
COC1=CC=CC(C2(F)CCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=C1	REAL300013346235	0	40	0.0	-59.50	323.39	8.91	-50.59
O=C([O-])C1=CC=CC(N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC=C2)=N1	REAL300013346252	0	51	0.0	-80.58	404.05	12.69	-67.89
O=C([O-])C1=CC=CC(N[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC=C2)=N1	REAL300013346252	1	51	0.0	-84.52	407.42	12.57	-71.95
O=C([O-])C1=CC=CC(N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC=C2)=N1	REAL300013346253	0	51	0.0	-80.58	404.05	12.69	-67.89
O=C([O-])C1=CC=CC(N[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC=C2)=N1	REAL300013346253	1	51	0.0	-84.52	407.42	12.57	-71.95
O=C([O-])C1=CC=CC(N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC=C2)=N1	REAL300013346254	0	51	0.0	-80.58	404.05	12.69	-67.89
O=C([O-])C1=CC=CC(N[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC=C2)=N1	REAL300013346254	1	51	0.0	-84.52	407.42	12.57	-71.95
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=NC3=C(CCC3)S2)CC1	REAL300013346256	0	42	0.0	-58.78	341.75	9.73	-49.05
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CC2=NC3=C(CCC3)S2)CC1	REAL300013346262	0	45	0.0	-49.59	359.48	10.36	-39.23
COC1=CC=CC=C1NC(=O)C1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013346282	0	47	0.0	-50.54	372.10	8.26	-42.28
CC(C1=CC=CC=C1)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013346297	0	45	0.0	-51.05	344.76	11.60	-39.45
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CCC2=CC=CN=C2)CC1	REAL300013346329	0	44	0.0	-53.41	345.94	10.28	-43.13
CCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C3=CC=C(F)C=C32)C1	REAL300013346352	0	44	0.0	-51.95	326.50	9.02	-42.93
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013346359	0	47	0.0	-49.79	345.27	9.65	-40.14
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013346359	1	47	0.0	-60.87	348.17	9.05	-51.82
CCC1(C(=O)[O-])CCCN(C2=CC(NCC3CC3)=[NH+]C=N2)C1	REAL300013346367	0	46	0.0	-60.41	342.03	9.19	-51.22
CCC1(C(=O)[O-])CCCN(C2=CC(NCC3CC3)=NC=[NH+]2)C1	REAL300013346367	1	46	0.0	-50.66	343.49	8.71	-41.95
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCC3)=[NH+]C=N2)C1	REAL300013346378	0	46	0.0	-55.96	332.31	8.51	-47.45
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCC3)=NC=[NH+]2)C1	REAL300013346378	1	46	0.0	-43.03	332.92	8.68	-34.35
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3)=[NH+]C=N2)C1	REAL300013346379	0	49	0.0	-57.84	347.43	9.45	-48.39
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3)=NC=[NH+]2)C1	REAL300013346379	1	49	0.0	-42.61	349.74	9.44	-33.17
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013346380	0	53	0.0	-46.44	384.34	6.72	-39.72
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013346380	1	53	0.0	-60.86	382.08	6.69	-54.17
CCCC1=[NH+]C2=CC=CC=C2C(N2CCCC(CC)(C(=O)[O-])C2)=C1	REAL300013346381	0	50	0.0	-52.61	366.18	10.44	-42.17
CCC1(C(=O)[O-])CCCN(C2=NC3=CC(OC)=C(OC)C=C3C(N)=[NH+]2)C1	REAL300013346412	0	50	0.0	-64.58	370.34	7.79	-56.79
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C1	REAL300013346425	0	44	0.0	-59.71	340.49	9.35	-50.36
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)C1	REAL300013346436	1	41	0.0	-62.64	314.95	8.96	-53.68
CCC1(C(=O)[O-])CCCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013346439	1	38	0.0	-51.43	299.06	8.26	-43.17
CCC1(C(=O)[O-])CCCN(C2=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N2)C1	REAL300013346440	1	58	0.0	-56.07	414.00	11.51	-44.56
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013346448	0	47	0.0	-49.00	337.03	7.31	-41.69
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013346448	1	47	0.0	-59.92	338.52	7.00	-52.92
CCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C(C3=CC=C([N+](=O)[O-])C=C3)=N2)C1	REAL300013346455	1	49	0.0	-60.63	382.00	11.86	-48.77
CCC1(C(=O)[O-])CCCN(C2=[NH+]C3=CC(C)=CC=C3C(C)=C2)C1	REAL300013346468	1	47	0.0	-45.78	345.85	10.37	-35.41
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)C1	REAL300013346486	1	41	0.0	-57.73	318.66	8.85	-48.88
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1	REAL300013346499	1	41	0.0	-57.85	323.21	8.95	-48.90
CCC1(C(=O)[O-])CCCN(C2=C(C)C(C)=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013346529	0	47	0.0	-53.87	356.21	10.28	-43.59
CCC1(C(=O)[O-])CCCN(C2=CC(NCC(C)O)=[NH+]C=N2)C1	REAL300013346550	0	46	0.0	-61.41	342.65	5.13	-56.28
CCC1(C(=O)[O-])CCCN(C2=CC(NCC(C)O)=NC=[NH+]2)C1	REAL300013346550	1	46	0.0	-47.58	340.56	4.91	-42.67
CCC1(C(=O)[O-])CCCN(C2=CC(N3C=CC=N3)=NC(N)=[NH+]2)C1	REAL300013346558	0	43	0.0	-44.48	334.36	8.28	-36.20
CCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N3CCOCC3)=N2)C1	REAL300013346562	0	47	0.0	-55.49	342.34	6.72	-48.77
CCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C3=C(OC)C=CC=C23)C1	REAL300013346567	1	48	0.0	-46.74	348.52	8.38	-38.36
CCOC(=O)C1=C(N2CCCC(CC)(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013346568	1	56	0.0	-62.09	401.28	12.47	-49.62
CCC1=[NH+]C2=CC=CC=C2C(N2CCCC(CC)(C(=O)[O-])C2)=C1	REAL300013346579	0	47	0.0	-50.97	348.33	10.18	-40.79
CCC1(C(=O)[O-])CCCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013346583	1	38	0.0	-51.43	299.06	8.26	-43.17
CCC1(C(=O)[O-])CCCN(C2=NC(C(C)C)=[NH+]C(N(C)C)=N2)C1	REAL300013346593	1	50	0.0	-50.85	365.26	12.66	-38.19
CCC1(C(=O)[O-])CCCN(C2=[NH+]C(C(C)C)=NC(N(C)C)=N2)C1	REAL300013346593	1	50	0.0	-43.70	368.08	11.73	-31.97
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C(N3CCCCC3)=N2)C1	REAL300013346599	0	49	0.0	-63.00	349.76	10.00	-53.00
CCC1=C(N2CCCC(CC)(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013346612	0	50	0.0	-55.08	354.31	10.50	-44.58
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013346619	0	53	0.0	-45.65	382.56	5.89	-39.76
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013346619	1	53	0.0	-57.01	383.26	6.19	-50.82
CCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C3=CC=C([N+](=O)[O-])C=C32)C1	REAL300013346623	0	46	0.0	-69.26	347.58	9.67	-59.59
CCC1(C(=O)[O-])CCCN(C2=C(C)C(C)=[NH+]C3=CC=CC=C32)C1	REAL300013346629	0	47	0.0	-54.65	334.30	9.80	-44.85
CCC1(C(=O)[O-])CCCN(C2=C(C)C=[NH+]C3=C(C)C=CC=C32)C1	REAL300013346636	0	47	0.0	-52.56	336.26	10.28	-42.28
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C=C2Br)C1	REAL300013346638	1	35	0.0	-57.37	273.93	6.89	-50.48
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCN(C)C(=O)C3)=NC=[NH+]2)C1	REAL300013346639	0	50	0.0	-53.79	371.07	7.06	-46.73
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCN(C)C(=O)C3)=[NH+]C=N2)C1	REAL300013346639	1	50	0.0	-65.83	364.07	6.26	-59.57
CCC1(C(=O)[O-])CCCN(C2=CC(NC3CCCOC3C(C)C)=[NH+]C=N2)C1	REAL300013346651	0	59	0.0	-59.26	418.17	10.36	-48.90
CCC1(C(=O)[O-])CCCN(C2=CC(NC3CCCOC3C(C)C)=NC=[NH+]2)C1	REAL300013346651	1	59	0.0	-50.24	419.58	9.86	-40.38
CCOC(=O)C1=C[NH+]=CC=C1N1CCCC(CC)(C(=O)[O-])C1	REAL300013346653	1	44	0.0	-67.23	333.17	8.88	-58.35
CCC1(C(=O)[O-])CCCN(C2=[NH+]C3=CC=CC=C3C(=O)N2)C1	REAL300013346668	1	41	0.0	-46.10	310.58	9.59	-36.51
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C1	REAL300013346674	0	52	0.0	-66.51	387.79	11.32	-55.19
CCCCNC1=CC(N2CCCC(CC)(C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013346689	0	50	0.0	-59.63	371.85	8.70	-50.93
CCCCNC1=CC(N2CCCC(CC)(C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013346689	1	50	0.0	-47.02	369.97	8.08	-38.94
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C=C2Br)C1	REAL300013346697	1	35	0.0	-57.37	273.93	6.89	-50.48
CCC1(C(=O)[O-])CCCN(C2=NC(NCCO)=[NH+]C(NC(C)C)=N2)C1	REAL300013346702	0	53	0.0	-53.51	395.51	8.96	-44.55
CCC1(C(=O)[O-])CCCN(C2=[NH+]C(NCCO)=NC(NC(C)C)=N2)C1	REAL300013346702	1	53	0.0	-45.82	397.61	8.20	-37.62
CCC1(C(=O)[O-])CCCN(C2=NC(NCCO)=NC(NC(C)C)=[NH+]2)C1	REAL300013346702	1	53	0.0	-44.86	397.00	8.18	-36.68
CCC1(C(=O)[O-])CCCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013346712	1	38	0.0	-51.43	299.06	8.26	-43.17
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCCC(CC)(C(=O)[O-])C2)=N1	REAL300013346717	0	55	0.0	-51.83	397.48	13.24	-38.59
CCNC1=NC(NC(C)(C)C)=NC(N2CCCC(CC)(C(=O)[O-])C2)=[NH+]1	REAL300013346717	1	55	0.0	-43.20	398.79	12.42	-30.78
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCCC(CC)(C(=O)[O-])C2)=N1	REAL300013346717	1	55	0.0	-41.53	396.31	12.12	-29.41
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCC(C(C)O)C3)=NC=[NH+]2)C1	REAL300013346765	0	53	0.0	-47.91	387.99	6.32	-41.59
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCC(C(C)O)C3)=[NH+]C=N2)C1	REAL300013346765	1	53	0.0	-63.15	384.38	6.01	-57.14
CCC1(C(=O)[O-])CCCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C1	REAL300013346767	1	44	0.0	-44.60	325.23	9.95	-34.65
CCCC1=CC2=C(N3CCCC(CC)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013346771	0	50	0.0	-59.03	362.59	10.66	-48.37
CCC1=CC2=C(N3CCCC(CC)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013346772	0	47	0.0	-58.75	341.08	9.87	-48.88
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(OC(C)C)C=C32)C1	REAL300013346775	0	51	0.0	-64.41	367.50	9.30	-55.11
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013346899	1	41	0.0	-62.59	319.51	9.06	-53.53
CCOC1=CC2=[NH+]C=CC(N3CCCC(CC)(C(=O)[O-])C3)=C2C=C1OCC	REAL300013346918	0	55	0.0	-60.88	400.35	9.53	-51.35
CCC1=CC(N2CCCC(CC)(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013346920	1	49	0.0	-55.42	370.41	9.35	-46.07
CCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N3CCCC3)=N2)C1	REAL300013346932	0	46	0.0	-53.50	334.35	8.42	-45.08
CCC1(C(=O)[O-])CCCN(C2=[NH+]C3=CC=CC=C3C(=O)N2)C1	REAL300013346941	1	41	0.0	-46.10	310.58	9.59	-36.51
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(F)=CC=C32)C1	REAL300013346953	0	41	0.0	-57.99	308.36	8.42	-49.57
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(OC)=C(Br)C=C32)C1	REAL300013346967	0	45	0.0	-63.50	347.99	8.43	-55.07
CCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N3CCCC(C)(C)C3)=N2)C1	REAL300013346978	0	55	0.0	-62.87	386.28	11.36	-51.51
CCC1(C(=O)[O-])CCCN(C2=C3CCCCC3=[NH+]C3=CC(F)=C(C)C=C32)C1	REAL300013346983	0	54	0.0	-49.56	381.25	11.91	-37.65
CCC1(C(=O)[O-])CCCN(C2=CC(C(F)(F)F)=CC(C)=[NH+]2)C1	REAL300013346986	0	41	0.0	-50.69	321.28	8.63	-42.06
CCC1(C(=O)[O-])CCCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C1	REAL300013346988	1	46	0.0	-54.77	347.45	10.79	-43.98
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(OC)=C(OC)C=C32)C1	REAL300013346992	0	49	0.0	-60.94	356.64	7.69	-53.25
CCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013347029	0	50	0.0	-65.63	371.87	11.14	-54.49
CCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C3=C(Cl)C(C)=CC=C23)C1	REAL300013347059	0	47	0.0	-45.67	353.17	10.12	-35.55
CCC1(C(=O)[O-])CCCN(C2=CC(NC3=CC=CC=C3)=[NH+]C(C)=N2)C1	REAL300013347061	0	49	0.0	-58.44	368.94	10.35	-48.09
CCC1(C(=O)[O-])CCCN(C2=CC(NC3=CC=CC=C3)=NC(C)=[NH+]2)C1	REAL300013347061	1	49	0.0	-42.76	370.17	9.71	-33.05
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C(C)=C2Br)C1	REAL300013347064	0	38	0.0	-58.88	297.67	8.10	-50.78
CCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N(C)C3CCCCC3)=N2)C1	REAL300013347066	0	55	0.0	-51.98	388.84	11.70	-40.28
CCC1(C(=O)[O-])CCCN(C2=[NH+]C(C)=CC(N(C)C(C)C)=N2)C1	REAL300013347067	0	51	0.0	-54.46	367.29	11.17	-43.29
CCC1(C(=O)[O-])CCCN(C2=[NH+]C(C)=CC(N(C)C3=CC=CC=C3)=N2)C1	REAL300013347071	0	52	0.0	-52.39	391.21	13.23	-39.16
CCC1(C(=O)[O-])CCCN(C2=[NH+]C(C)=CC(N3C=CC=N3)=N2)C1	REAL300013347072	1	44	0.0	-56.54	336.17	10.37	-46.17
CCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C(N(C)C(C)C)=N2)C1	REAL300013347075	0	51	0.0	-59.83	370.80	11.74	-48.09
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C(N(C)C3CCCCC3)=N2)C1	REAL300013347078	0	55	0.0	-64.51	387.53	12.91	-51.60
CCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C(N(C)C3=CC=CC=C3)=N2)C1	REAL300013347080	1	52	0.0	-63.52	392.68	13.70	-49.82
CCC1(C(=O)[O-])CCCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)C1	REAL300013347125	0	45	0.0	-42.45	332.21	9.52	-32.93
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013347126	0	45	0.0	-59.36	347.85	8.14	-51.22
CCC1(C(=O)[O-])CCCN(C2=CC(N(C)C)=[NH+]C(N(C)C)=N2)C1	REAL300013347130	1	50	0.0	-50.82	362.33	11.37	-39.45
CCC1(C(=O)[O-])CCCN(C2=CC(N(C)C)=NC(N(C)C)=[NH+]2)C1	REAL300013347130	1	50	0.0	-44.66	362.49	10.76	-33.90
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=C(Cl)C(C)=CC=C23)C1	REAL300013347138	1	44	0.0	-52.12	331.26	9.60	-42.52
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013347150	0	39	0.0	-59.61	308.32	5.38	-54.23
O=C([O-])C1(O)CCCN(C2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013347156	0	42	0.0	-60.02	329.96	5.43	-54.59
O=C([O-])C1(O)CCCN(C2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013347156	1	42	0.0	-48.37	328.60	5.70	-42.67
O=C([O-])C1(O)CCCN(C2=CC(N3CCCCC3)=[NH+]C=N2)C1	REAL300013347170	0	44	0.0	-56.37	329.21	5.82	-50.55
O=C([O-])C1(O)CCCN(C2=CC(N3CCCCC3)=NC=[NH+]2)C1	REAL300013347170	1	44	0.0	-49.78	333.09	5.48	-44.30
O=C([O-])C1(O)CCCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013347171	0	48	0.0	-59.69	360.86	3.10	-56.59
O=C([O-])C1(O)CCCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013347171	1	48	0.0	-48.10	360.94	3.10	-45.00
CCCC1=[NH+]C2=CC=CC=C2C(N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013347172	0	45	0.0	-51.14	351.65	7.34	-43.80
COC1=CC2=NC(N3CCCC(O)(C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013347198	0	45	0.0	-55.35	353.56	3.35	-52.00
O=C([O-])C1(O)CCCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C1	REAL300013347207	0	39	0.0	-60.75	319.13	5.76	-54.99
O=C([O-])C1(O)CCCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)C1	REAL300013347216	1	36	0.0	-63.43	297.31	5.26	-58.17
CC(C)(C)C1=CC(N2CCCC(O)(C(=O)[O-])C2)=NC(C(C)(C)C)=[NH+]1	REAL300013347218	1	53	0.0	-52.56	392.48	7.75	-44.81
O=C([O-])C1(O)CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013347225	0	42	0.0	-47.44	320.36	3.36	-44.08
O=C([O-])C1(O)CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013347225	1	42	0.0	-58.46	320.31	3.37	-55.09
CC1=CC(N2CCCC(O)(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013347230	1	44	0.0	-68.17	362.43	7.91	-60.26
CC1=CC2=[NH+]C(N3CCCC(O)(C(=O)[O-])C3)=CC(C)=C2C=C1	REAL300013347241	1	42	0.0	-44.20	323.10	6.69	-37.51
O=C([O-])C1(O)CCCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)C1	REAL300013347258	1	36	0.0	-58.44	297.30	5.25	-53.19
O=C([O-])C1(O)CCCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1	REAL300013347267	1	36	0.0	-58.69	301.86	5.36	-53.33
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCCC(O)(C(=O)[O-])C2)=C1C	REAL300013347293	0	42	0.0	-57.48	336.62	6.74	-50.74
NC1=[NH+]C(N2CCCC(O)(C(=O)[O-])C2)=CC(N2C=CC=N2)=N1	REAL300013347319	0	38	0.0	-43.70	309.14	5.02	-38.68
O=C([O-])C1(O)CCCN(C2=[NH+]C=CC(N3CCOCC3)=N2)C1	REAL300013347322	0	42	0.0	-62.02	322.68	3.90	-58.12
COC1=CC=CC2=C(N3CCCC(O)(C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013347327	1	43	0.0	-48.43	337.06	5.24	-43.19
CCOC(=O)C1=C(N2CCCC(O)(C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013347328	1	48	0.0	-65.48	378.88	5.71	-59.77
CCOC(=O)C1=C(N2CCCC(O)(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013347329	1	51	0.0	-59.30	388.21	8.38	-50.92
CCC1=[NH+]C2=CC=CC=C2C(N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013347334	0	42	0.0	-51.55	323.29	6.06	-45.49
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013347342	1	45	0.0	-50.51	346.40	8.91	-41.60
CC(C)C1=NC(N(C)C)=NC(N2CCCC(O)(C(=O)[O-])C2)=[NH+]1	REAL300013347342	1	45	0.0	-43.94	349.39	8.19	-35.75
O=C([O-])C1(O)CCCN(C2=CC=[NH+]C(N3CCCCC3)=N2)C1	REAL300013347348	0	44	0.0	-61.72	331.54	6.37	-55.35
CCC1=C(N2CCCC(O)(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013347358	0	45	0.0	-54.54	336.14	6.87	-47.67
O=C([O-])C1(O)CCCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013347364	0	48	0.0	-47.26	359.13	2.27	-44.99
O=C([O-])C1(O)CCCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013347364	1	48	0.0	-57.84	363.42	2.11	-55.73
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013347369	0	41	0.0	-70.66	329.97	5.98	-64.68
CC1=[NH+]C2=CC=CC=C2C(N2CCCC(O)(C(=O)[O-])C2)=C1C	REAL300013347373	0	42	0.0	-53.70	316.00	6.10	-47.60
CC1=C2[NH+]=CC(C)=C(N3CCCC(O)(C(=O)[O-])C3)C2=CC=C1	REAL300013347380	0	42	0.0	-56.03	316.70	6.34	-49.69
O=C([O-])C1(O)CCCN(C2=CC=[NH+]C=C2Br)C1	REAL300013347382	1	30	0.0	-57.96	255.73	3.26	-54.70
CN1CCN(C2=CC(N3CCCC(O)(C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013347383	0	45	0.0	-58.35	349.72	3.47	-54.88
CN1CCN(C2=CC(N3CCCC(O)(C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013347383	1	45	0.0	-61.61	341.32	3.15	-58.46
CC(C)C1OCCCC1NC1=CC(N2CCCC(O)(C(=O)[O-])C2)=NC=[NH+]1	REAL300013347394	0	54	0.0	-56.87	401.36	6.23	-50.64
CC(C)C1OCCCC1NC1=CC(N2CCCC(O)(C(=O)[O-])C2)=[NH+]C=N1	REAL300013347394	1	54	0.0	-45.61	398.80	6.41	-39.20
O=C([O-])C1(O)CCCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C1	REAL300013347414	0	47	0.0	-67.62	369.49	7.58	-60.04
O=C([O-])C1(O)CCCN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013347420	1	43	0.0	-43.85	348.77	7.69	-36.16
CCCCNC1=CC(N2CCCC(O)(C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013347427	0	45	0.0	-56.25	350.31	4.94	-51.31
CCCCNC1=CC(N2CCCC(O)(C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013347427	1	45	0.0	-42.85	347.92	4.77	-38.08
O=C([O-])C1(O)CCCN(C2=CC=[NH+]C=C2Br)C1	REAL300013347434	1	30	0.0	-57.96	255.73	3.26	-54.70
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013347439	0	48	0.0	-53.06	376.76	5.26	-47.80
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013347439	1	48	0.0	-50.02	377.88	5.32	-44.70
CC(C)NC1=NC(NCCO)=NC(N2CCCC(O)(C(=O)[O-])C2)=[NH+]1	REAL300013347439	1	48	0.0	-44.68	378.72	4.53	-40.15
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013347452	0	50	0.0	-49.32	376.41	9.20	-40.12
CCNC1=NC(NC(C)(C)C)=NC(N2CCCC(O)(C(=O)[O-])C2)=[NH+]1	REAL300013347452	1	50	0.0	-48.02	379.06	9.55	-38.47
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013347452	1	50	0.0	-45.31	375.85	9.22	-36.09
CC(O)C1CCN(C2=CC(N3CCCC(O)(C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013347492	0	48	0.0	-57.68	361.62	2.90	-54.78
CC(O)C1CCN(C2=CC(N3CCCC(O)(C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013347492	1	48	0.0	-51.33	366.65	2.73	-48.60
O=C([O-])C1(O)CCCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C1	REAL300013347494	1	39	0.0	-44.71	306.74	6.29	-38.42
CCCC1=CC2=C(N3CCCC(O)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013347497	0	45	0.0	-59.87	344.97	6.95	-52.92
CCC1=CC2=C(N3CCCC(O)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013347498	0	42	0.0	-52.79	323.46	6.17	-46.62
CC(C)OC1=CC2=C(N3CCCC(O)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013347500	0	46	0.0	-65.32	349.76	5.60	-59.72
O=C([O-])C1(O)CCCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013347617	1	36	0.0	-63.33	301.87	5.36	-57.97
CCOC1=CC2=[NH+]C=CC(N3CCCC(O)(C(=O)[O-])C3)=C2C=C1OCC	REAL300013347635	0	50	0.0	-61.18	382.71	5.83	-55.35
CCC1=CC(N2CCCC(O)(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013347637	1	44	0.0	-56.52	352.22	5.71	-50.81
COC1=CC2=[NH+]C=CC(N3CCCC(O)(C(=O)[O-])C3)=C2C=C1Br	REAL300013347674	0	40	0.0	-64.18	330.35	4.73	-59.45
CC1(C)CCCN(C2=CC=[NH+]C(N3CCCC(O)(C(=O)[O-])C3)=N2)C1	REAL300013347683	0	50	0.0	-60.68	368.09	7.71	-52.97
CC1=CC2=C(N3CCCC(O)(C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013347688	0	49	0.0	-51.87	366.31	8.10	-43.77
CC1=CC(C(F)(F)F)=CC(N2CCCC(O)(C(=O)[O-])C2)=[NH+]1	REAL300013347691	0	36	0.0	-45.22	298.54	5.12	-40.10
O=C([O-])C1(O)CCCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C1	REAL300013347693	1	41	0.0	-56.31	326.23	7.20	-49.11
COC1=CC2=[NH+]C=CC(N3CCCC(O)(C(=O)[O-])C3)=C2C=C1OC	REAL300013347696	0	44	0.0	-61.11	339.00	3.99	-57.12
O=C([O-])C1(O)CCCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013347725	0	45	0.0	-63.26	353.70	7.50	-55.76
CC1=[NH+]C2=C(Cl)C(C)=CC=C2C(N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013347750	0	42	0.0	-47.67	334.98	6.48	-41.19
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013347752	0	44	0.0	-55.34	347.43	6.59	-48.75
CC1=NC(NC2=CC=CC=C2)=CC(N2CCCC(O)(C(=O)[O-])C2)=[NH+]1	REAL300013347752	1	44	0.0	-44.12	347.08	7.26	-36.86
CC1=[NH+]C=CC(N2CCCC(O)(C(=O)[O-])C2)=C1Br	REAL300013347755	0	33	0.0	-58.83	280.99	4.15	-54.68
CN(C1=CC=[NH+]C(N2CCCC(O)(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013347757	0	50	0.0	-52.23	371.29	7.98	-44.25
CC1=CC(N(C)C(C)C)=NC(N2CCCC(O)(C(=O)[O-])C2)=[NH+]1	REAL300013347758	0	46	0.0	-52.80	349.11	7.52	-45.28
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCCC(O)(C(=O)[O-])C2)=[NH+]1	REAL300013347761	0	47	0.0	-50.73	373.05	9.57	-41.16
CC1=CC(N2C=CC=N2)=NC(N2CCCC(O)(C(=O)[O-])C2)=[NH+]1	REAL300013347762	1	39	0.0	-54.59	317.98	6.72	-47.87
CC1=CC(N2CCCC(O)(C(=O)[O-])C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013347765	0	46	0.0	-56.39	349.25	7.98	-48.41
CN(C1=[NH+]C=CC(N2CCCC(O)(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013347768	0	50	0.0	-58.66	370.73	8.80	-49.86
CC1=CC(N2CCCC(O)(C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013347770	1	47	0.0	-56.20	372.50	9.45	-46.75
O=C([O-])C1(O)CCCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)C1	REAL300013347813	0	40	0.0	-43.35	309.08	5.50	-37.85
O=C([O-])C1(O)CCCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013347814	0	40	0.0	-60.44	326.50	4.55	-55.89
CN(C)C1=CC(N2CCCC(O)(C(=O)[O-])C2)=NC(N(C)C)=[NH+]1	REAL300013347818	1	45	0.0	-54.23	343.59	7.37	-46.86
CN(C)C1=CC(N2CCCC(O)(C(=O)[O-])C2)=[NH+]C(N(C)C)=N1	REAL300013347818	1	45	0.0	-40.83	342.00	7.45	-33.38
CC1=C(Cl)C2=[NH+]C=CC(N3CCCC(O)(C(=O)[O-])C3)=C2C=C1	REAL300013347825	1	39	0.0	-50.77	320.45	6.40	-44.37
O=C([O-])CN1CCCCC(NC2=CC=[NH+]C3=CC=CC=C23)C1=O	REAL300013347832	0	42	0.0	-51.56	321.87	8.42	-43.14
CC1=[NH+]C2=CC=C(F)C=C2C(NC2CCCCN(CC(=O)[O-])C2=O)=C1	REAL300013347835	0	45	0.0	-50.69	349.64	9.05	-41.64
CCC1=[NH+]C(C)=CC(NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013347839	1	44	0.0	-49.80	337.27	8.12	-41.68
O=C([O-])CN1CCCCC(NC2=CC(N3CCSCC3)=NC=[NH+]2)C1=O	REAL300013347842	0	48	0.0	-56.95	368.87	9.22	-47.73
O=C([O-])CN1CCCCC(NC2=CC(N3CCSCC3)=[NH+]C=N2)C1=O	REAL300013347842	1	48	0.0	-54.01	370.96	8.60	-45.41
O=C([O-])CN1CCCCC(NC2=CC(NCC3CC3)=[NH+]C=N2)C1=O	REAL300013347852	0	47	0.0	-54.48	361.83	8.93	-45.55
O=C([O-])CN1CCCCC(NC2=CC(NCC3CC3)=NC=[NH+]2)C1=O	REAL300013347852	1	47	0.0	-55.83	361.80	8.95	-46.88
O=C([O-])CN1CCCCC(NC2=CC(N3CCCC3)=NC=[NH+]2)C1=O	REAL300013347863	0	47	0.0	-64.20	356.25	7.86	-56.34
O=C([O-])CN1CCCCC(NC2=CC(N3CCCC3)=[NH+]C=N2)C1=O	REAL300013347863	1	47	0.0	-54.17	352.08	8.23	-45.94
O=C([O-])CN1CCCCC(NC2=CC(N3CCCCC3)=NC=[NH+]2)C1=O	REAL300013347864	0	50	0.0	-61.25	373.12	8.61	-52.64
O=C([O-])CN1CCCCC(NC2=CC(N3CCCCC3)=[NH+]C=N2)C1=O	REAL300013347864	1	50	0.0	-55.93	367.24	9.16	-46.77
COC1=CC2=NC(NC3CCCCN(CC(=O)[O-])C3=O)=[NH+]C(N)=C2C=C1OC	REAL300013347884	0	51	0.0	-48.93	390.53	7.94	-40.99
O=C([O-])CN1CCCCC(NC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)C1=O	REAL300013347892	0	45	0.0	-52.88	360.40	9.42	-43.46
O=C([O-])CN1CCCCC(NC2=CC=[NH+]C3=CC=C(Cl)C=C23)C1=O	REAL300013347905	1	42	0.0	-51.85	338.58	8.93	-42.92
CC1=CC2=[NH+]C(NC3CCCCN(CC(=O)[O-])C3=O)=CC(C)=C2C=C1	REAL300013347946	1	48	0.0	-49.91	363.63	10.35	-39.56
O=C([O-])CN1CCCCC(NC2=[NH+]C3=CC=CC=C3N2)C1=O	REAL300013347955	1	40	0.0	-50.60	319.79	8.74	-41.86
O=C([O-])CN1CCCCC(NC2=CC=[NH+]C3=CC(Cl)=CC=C23)C1=O	REAL300013347967	1	42	0.0	-51.48	338.56	8.92	-42.56
O=C([O-])CN1CCCCC(NC2=CC=[NH+]C3=CC(Br)=CC=C23)C1=O	REAL300013347979	1	42	0.0	-51.39	343.12	9.02	-42.37
CN(C)C1=[NH+]C=CC(NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013347985	0	43	0.0	-51.07	328.62	9.21	-41.86
CCC1=CC(NC2CCCCN(CC(=O)[O-])C2=O)=NC(C)=[NH+]1	REAL300013347994	1	44	0.0	-50.00	338.18	8.12	-41.88
O=C([O-])CN1CCCCC(NC2=C3SC=CC3=[NH+]C=C2)C1=O	REAL300013347998	1	39	0.0	-51.11	315.20	7.45	-43.66
CC1=[NH+]C(NC2CCCCN(CC(=O)[O-])C2=O)=C2C=CNC2=N1	REAL300013348006	0	42	0.0	-49.15	327.08	8.17	-40.98
NC1=[NH+]C(NC2CCCCN(CC(=O)[O-])C2=O)=CC(N2C=CC=N2)=N1	REAL300013348024	1	44	0.0	-61.65	349.55	8.53	-53.12
CN(C)C1=CC=[NH+]C(NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013348026	0	43	0.0	-47.05	328.49	9.30	-37.75
O=C([O-])CN1CCCCC(NC2=[NH+]C=CC(N3CCOCC3)=N2)C1=O	REAL300013348028	1	48	0.0	-48.09	361.11	7.68	-40.41
COC1=CC=CC2=C(NC3CCCCN(CC(=O)[O-])C3=O)C=C(C)[NH+]=C12	REAL300013348034	1	49	0.0	-57.36	366.74	8.26	-49.10
CC(C)C1=[NH+]C(NC2CCCCN(CC(=O)[O-])C2=O)=NC(N(C)C)=N1	REAL300013348055	1	51	0.0	-44.85	386.29	12.80	-32.05
CC(C)C1=NC(NC2CCCCN(CC(=O)[O-])C2=O)=NC(N(C)C)=[NH+]1	REAL300013348055	1	51	0.0	-52.17	387.66	12.74	-39.43
O=C([O-])CN1CCCCC(NC2=CC=[NH+]C(N3CCCCC3)=N2)C1=O	REAL300013348063	0	50	0.0	-50.50	369.56	9.71	-40.79
CC1=[NH+]C=CC(NC2CCCCN(CC(=O)[O-])C2=O)=C1Cl	REAL300013348072	0	39	0.0	-50.92	312.21	7.29	-43.63
O=C([O-])CN1CCCCC(NC2=CC=[NH+]C=C2Br)C1=O	REAL300013348093	1	36	0.0	-65.20	292.88	6.74	-58.46
CCCCNC1=CC(NC2CCCCN(CC(=O)[O-])C2=O)=NC(N)=[NH+]1	REAL300013348127	0	51	0.0	-50.93	388.25	8.31	-42.62
CCCCNC1=CC(NC2CCCCN(CC(=O)[O-])C2=O)=[NH+]C(N)=N1	REAL300013348127	1	51	0.0	-52.87	388.35	8.30	-44.57
O=C([O-])CN1CCCCC(NC2=CC=[NH+]C=C2Br)C1=O	REAL300013348132	1	36	0.0	-65.20	292.88	6.74	-58.46
CC(C)NC1=[NH+]C(NCCO)=NC(NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013348137	0	54	0.0	-55.84	416.51	9.15	-46.69
CC(C)NC1=NC(NCCO)=[NH+]C(NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013348137	1	54	0.0	-42.95	416.40	9.16	-33.79
CC(C)NC1=NC(NCCO)=NC(NC2CCCCN(CC(=O)[O-])C2=O)=[NH+]1	REAL300013348137	1	54	0.0	-44.69	415.76	9.13	-35.56
CCNC1=NC(NC2CCCCN(CC(=O)[O-])C2=O)=NC(NC(C)(C)C)=[NH+]1	REAL300013348150	0	56	0.0	-51.97	420.01	13.48	-38.49
CCNC1=[NH+]C(NC2CCCCN(CC(=O)[O-])C2=O)=NC(NC(C)(C)C)=N1	REAL300013348150	1	56	0.0	-43.24	417.56	13.39	-29.85
CCCC1=CC2=C(NC3CCCCN(CC(=O)[O-])C3=O)C=C[NH+]=C2C=C1	REAL300013348196	0	51	0.0	-61.48	381.45	10.46	-51.02
CCC1=CC2=C(NC3CCCCN(CC(=O)[O-])C3=O)C=C[NH+]=C2C=C1	REAL300013348197	0	48	0.0	-51.07	364.71	9.84	-41.23
CC(C)OC1=CC2=C(NC3CCCCN(CC(=O)[O-])C3=O)C=C[NH+]=C2C=C1	REAL300013348201	0	52	0.0	-63.01	386.19	9.12	-53.89
O=C([O-])CN1CCCCC(NC2=CC(NC3CC3)=[NH+]C=N2)C1=O	REAL300013348209	0	44	0.0	-56.87	347.81	7.66	-49.21
O=C([O-])CN1CCCCC(NC2=CC(NC3CC3)=NC=[NH+]2)C1=O	REAL300013348209	1	44	0.0	-55.69	339.49	8.23	-47.46
O=C([O-])CN1CCCCC(NC2=CC=[NH+]C3=CC=C(Br)C=C23)C1=O	REAL300013348296	1	42	0.0	-51.75	343.13	9.03	-42.72
O=C([O-])CN1CCCCC(NC2=[NH+]C=CC(N3CCCC3)=N2)C1=O	REAL300013348324	0	47	0.0	-45.39	352.37	9.46	-35.93
O=C([O-])CN1CCCCC(NC2=CC=[NH+]C3=CC(F)=CC=C23)C1=O	REAL300013348342	0	42	0.0	-51.88	328.27	8.50	-43.38
CC1(C)CCCN(C2=CC=[NH+]C(NC3CCCCN(CC(=O)[O-])C3=O)=N2)C1	REAL300013348361	0	56	0.0	-45.40	406.52	11.50	-33.90
CC1=CC(C(F)(F)F)=CC(NC2CCCCN(CC(=O)[O-])C2=O)=[NH+]1	REAL300013348367	1	42	0.0	-62.75	342.63	7.92	-54.83
COC1=CC2=[NH+]C=CC(NC3CCCCN(CC(=O)[O-])C3=O)=C2C=C1OC	REAL300013348372	0	50	0.0	-53.92	380.26	7.66	-46.26
O=C([O-])CN1CCCCC(NC2=C3SC=CC3=[NH+]C=C2)C1=O	REAL300013348390	1	39	0.0	-51.11	315.20	7.45	-43.66
O=C([O-])CN1CCCCC(NC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1=O	REAL300013348403	0	51	0.0	-47.91	390.34	11.15	-36.76
CC1=[NH+]C(NC2=CC=CC=C2)=CC(NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013348436	1	50	0.0	-52.03	385.24	9.97	-42.06
CC1=NC(NC2=CC=CC=C2)=CC(NC2CCCCN(CC(=O)[O-])C2=O)=[NH+]1	REAL300013348436	1	50	0.0	-53.91	387.26	10.81	-43.10
CC1=[NH+]C=CC(NC2CCCCN(CC(=O)[O-])C2=O)=C1Br	REAL300013348438	0	39	0.0	-50.81	315.80	7.38	-43.43
CN(C)C1=CC(NC2CCCCN(CC(=O)[O-])C2=O)=[NH+]C=N1	REAL300013348440	0	43	0.0	-56.55	328.69	8.54	-48.01
CN(C)C1=CC(NC2CCCCN(CC(=O)[O-])C2=O)=NC=[NH+]1	REAL300013348440	1	43	0.0	-53.26	326.52	8.35	-44.91
CN(C1=CC=[NH+]C(NC2CCCCN(CC(=O)[O-])C2=O)=N1)C1CCCCC1	REAL300013348441	0	56	0.0	-46.57	407.66	12.67	-33.90
CC1=CC(N(C)C(C)C)=NC(NC2CCCCN(CC(=O)[O-])C2=O)=[NH+]1	REAL300013348442	0	52	0.0	-44.96	387.52	11.32	-33.64
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC2CCCCN(CC(=O)[O-])C2=O)=[NH+]1	REAL300013348446	0	53	0.0	-44.77	409.02	12.50	-32.27
CC1=CC(N2C=CC=N2)=NC(NC2CCCCN(CC(=O)[O-])C2=O)=[NH+]1	REAL300013348447	1	45	0.0	-47.04	356.43	10.54	-36.50
CC1=CC(NC2CCCCN(CC(=O)[O-])C2=O)=NC(N(C)C(C)C)=[NH+]1	REAL300013348450	0	52	0.0	-48.89	387.19	11.35	-37.54
CN(C1=[NH+]C=CC(NC2CCCCN(CC(=O)[O-])C2=O)=N1)C1CCCCC1	REAL300013348453	0	56	0.0	-52.91	415.66	12.08	-40.83
O=C([O-])CN1CCCCC(NC2=C3C=CNC3=NC(C3CC3)=[NH+]2)C1=O	REAL300013348495	1	46	0.0	-57.42	358.65	9.02	-48.40
O=C([O-])CN1CCCCC(NC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)C1=O	REAL300013348496	0	46	0.0	-51.88	367.76	8.22	-43.66
CN(C)C1=CC(NC2CCCCN(CC(=O)[O-])C2=O)=[NH+]C(N(C)C)=N1	REAL300013348503	1	51	0.0	-51.68	383.09	10.73	-40.95
CN(C)C1=CC(NC2CCCCN(CC(=O)[O-])C2=O)=NC(N(C)C)=[NH+]1	REAL300013348503	1	51	0.0	-49.21	381.44	10.67	-38.54
CC1=C(Cl)C2=[NH+]C=CC(NC3CCCCN(CC(=O)[O-])C3=O)=C2C=C1	REAL300013348511	1	45	0.0	-49.80	354.90	9.57	-40.23
O=C([O-])C1CC2(C1)CCC(CNC1=CC=[NH+]C3=CC=CC=C13)O2	REAL300013348523	0	43	0.0	-64.73	339.86	7.88	-56.85
CC1=[NH+]C2=CC=C(F)C=C2C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=C1	REAL300013348531	0	46	0.0	-66.17	367.56	8.52	-57.65
CCC1=[NH+]C(C)=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=N1	REAL300013348537	1	45	0.0	-65.27	355.32	7.59	-57.68
O=C([O-])C1CC2(C1)CCC(CNC1=CC(N3CCSCC3)=NC=[NH+]1)O2	REAL300013348542	0	49	0.0	-66.17	387.65	8.74	-57.43
O=C([O-])C1CC2(C1)CCC(CNC1=CC(N3CCSCC3)=[NH+]C=N1)O2	REAL300013348542	1	49	0.0	-68.09	388.97	8.07	-60.02
O=C([O-])C1CC2(C1)CCC(CNC1=CC(NCC3CC3)=[NH+]C=N1)O2	REAL300013348552	0	48	0.0	-67.02	379.82	8.39	-58.63
O=C([O-])C1CC2(C1)CCC(CNC1=CC(NCC3CC3)=NC=[NH+]1)O2	REAL300013348552	1	48	0.0	-62.23	379.82	8.40	-53.83
O=C([O-])C1CC2(C1)CCC(CNC1=CC(N3CCCC3)=NC=[NH+]1)O2	REAL300013348565	0	48	0.0	-62.99	370.76	8.04	-54.95
O=C([O-])C1CC2(C1)CCC(CNC1=CC(N3CCCC3)=[NH+]C=N1)O2	REAL300013348565	1	48	0.0	-64.38	370.12	7.70	-56.68
O=C([O-])C1CC2(C1)CCC(CNC1=CC(N3CCCCC3)=NC=[NH+]1)O2	REAL300013348566	0	51	0.0	-62.13	387.63	8.80	-53.33
O=C([O-])C1CC2(C1)CCC(CNC1=CC(N3CCCCC3)=[NH+]C=N1)O2	REAL300013348566	1	51	0.0	-64.88	385.22	8.63	-56.25
O=C([O-])C1CC2(C1)CCC(CNC1=CC(N3CCCC(CO)C3)=NC=[NH+]1)O2	REAL300013348567	0	55	0.0	-64.87	419.22	6.08	-58.79
O=C([O-])C1CC2(C1)CCC(CNC1=CC(N3CCCC(CO)C3)=[NH+]C=N1)O2	REAL300013348567	1	55	0.0	-68.42	416.88	5.92	-62.50
CCCC1=[NH+]C2=CC=CC=C2C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=C1	REAL300013348568	0	52	0.0	-60.12	404.08	9.97	-50.15
COC1=CC2=NC(NCC3CCC4(CC(C(=O)[O-])C4)O3)=[NH+]C(N)=C2C=C1OC	REAL300013348602	0	52	0.0	-72.72	408.15	7.31	-65.41
O=C([O-])C1CC2(C1)CCC(CNC1=CC=[NH+]C3=CC(C(F)(F)F)=CC=C13)O2	REAL300013348617	0	46	0.0	-68.88	378.39	8.88	-60.00
O=C([O-])C1CC2(C1)CCC(CNC1=CC=[NH+]C3=CC=C(Cl)C=C13)O2	REAL300013348637	1	43	0.0	-69.54	356.56	8.39	-61.15
O=C([O-])C1CC2(C1)CCC(CNC1=CC(N3CCOCC3)=NC=[NH+]1)O2	REAL300013348652	0	49	0.0	-65.17	379.41	6.40	-58.77
O=C([O-])C1CC2(C1)CCC(CNC1=CC(N3CCOCC3)=[NH+]C=N1)O2	REAL300013348652	1	49	0.0	-67.89	376.31	6.19	-61.70
CC1=CC2=[NH+]C(NCC3CCC4(CC(C(=O)[O-])C4)O3)=CC(C)=C2C=C1	REAL300013348690	1	49	0.0	-58.40	381.73	9.84	-48.56
O=C([O-])C1CC2(C1)CCC(CNC1=[NH+]C3=CC=CC=C3N1)O2	REAL300013348701	1	41	0.0	-60.54	329.44	8.70	-51.84
O=C([O-])C1CC2(C1)CCC(CNC1=CC=[NH+]C3=CC(Cl)=CC=C13)O2	REAL300013348716	1	43	0.0	-66.47	356.55	8.38	-58.09
O=C([O-])C1CC2(C1)CCC(CNC1=CC=[NH+]C3=CC(Br)=CC=C13)O2	REAL300013348732	1	43	0.0	-66.66	361.11	8.48	-58.18
CN(C)C1=[NH+]C=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=N1	REAL300013348740	0	44	0.0	-67.29	346.27	8.65	-58.64
CCC1=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=NC(C)=[NH+]1	REAL300013348765	1	45	0.0	-64.33	356.22	7.60	-56.73
O=C([O-])C1CC2(C1)CCC(CNC1=C3SC=CC3=[NH+]C=C1)O2	REAL300013348773	1	40	0.0	-66.63	333.13	6.92	-59.71
CC1=[NH+]C(C)=C(C)C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=N1	REAL300013348776	1	45	0.0	-61.34	350.58	7.77	-53.57
CC(C)(C)C1=[NH+]C=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=N1	REAL300013348781	1	48	0.0	-67.98	371.31	8.25	-59.73
CC1=[NH+]C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=C2C=CNC2=N1	REAL300013348782	0	43	0.0	-62.82	344.52	7.54	-55.28
CC1=C(NCC2CCC3(CC(C(=O)[O-])C3)O2)C2=CC=CC=C2[NH+]=C1	REAL300013348784	0	46	0.0	-65.65	354.26	8.30	-57.35
NC1=[NH+]C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=CC(N2C=CC=N2)=N1	REAL300013348805	1	45	0.0	-62.13	367.53	8.01	-54.12
CN(C)C1=CC=[NH+]C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=N1	REAL300013348807	0	44	0.0	-67.23	346.40	8.62	-58.61
O=C([O-])C1CC2(C1)CCC(CNC1=[NH+]C=CC(N3CCOCC3)=N1)O2	REAL300013348813	0	49	0.0	-71.03	378.64	7.07	-63.96
COC1=CC=CC2=C(NCC3CCC4(CC(C(=O)[O-])C4)O3)C=C(C)[NH+]=C12	REAL300013348821	1	50	0.0	-59.28	389.55	7.86	-51.42
CCC1=[NH+]C2=CC=CC=C2C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=C1	REAL300013348831	0	49	0.0	-60.02	382.58	9.19	-50.83
CC(C)C1=[NH+]C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=NC(N(C)C)=N1	REAL300013348845	1	52	0.0	-61.01	403.32	12.23	-48.78
CC(C)C1=NC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=NC(N(C)C)=[NH+]1	REAL300013348845	1	52	0.0	-60.79	403.86	12.07	-48.72
O=C([O-])C1CC2(C1)CCC(CNC1=CC=[NH+]C(N3CCCCC3)=N1)O2	REAL300013348856	0	51	0.0	-67.09	387.55	9.20	-57.89
NC(=O)C1=C[NH+]=CC=C1NCC1CCC2(CC(C(=O)[O-])C2)O1	REAL300013348866	0	41	0.0	-81.71	326.43	2.82	-78.89
CCC1=C(NCC2CCC3(CC(C(=O)[O-])C3)O2)C2=CC=CC=C2[NH+]=C1C	REAL300013348868	0	52	0.0	-61.35	397.17	9.77	-51.58
CC1=CC2=CC=CC=C2C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=[NH+]1	REAL300013348870	0	46	0.0	-59.65	361.66	9.71	-49.94
CC1=[NH+]C=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=C1Cl	REAL300013348871	0	40	0.0	-66.95	330.94	6.80	-60.15
O=C([O-])C1CC2(C1)CCC(CNC1=CC(N3CCCCC3CO)=NC=[NH+]1)O2	REAL300013348880	0	55	0.0	-66.03	417.52	5.25	-60.78
O=C([O-])C1CC2(C1)CCC(CNC1=CC(N3CCCCC3CO)=[NH+]C=N1)O2	REAL300013348880	1	55	0.0	-65.79	418.29	5.44	-60.35
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=C1	REAL300013348884	0	48	0.0	-76.40	389.20	9.11	-67.29
CC(C)(C)C1=[NH+]C=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=N1	REAL300013348888	1	48	0.0	-67.98	371.31	8.25	-59.73
CC1=[NH+]C2=CC=CC=C2C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=C1C	REAL300013348892	0	49	0.0	-62.13	378.08	9.08	-53.05
CC1=C2[NH+]=CC(C)=C(NCC3CCC4(CC(C(=O)[O-])C4)O3)C2=CC=C1	REAL300013348900	0	49	0.0	-64.42	378.90	9.24	-55.18
O=C([O-])C1CC2(C1)CCC(CNC1=CC=[NH+]C=C1Br)O2	REAL300013348901	1	37	0.0	-70.51	315.63	6.36	-64.15
CN1CCN(C2=CC(NCC3CCC4(CC(C(=O)[O-])C4)O3)=[NH+]C=N2)CC1=O	REAL300013348902	0	52	0.0	-70.24	404.26	6.80	-63.44
CN1CCN(C2=CC(NCC3CCC4(CC(C(=O)[O-])C4)O3)=NC=[NH+]2)CC1=O	REAL300013348902	1	52	0.0	-75.98	401.95	6.61	-69.37
CCOC(=O)C1=C[NH+]=CC=C1NCC1CCC2(CC(C(=O)[O-])C2)O1	REAL300013348918	1	46	0.0	-77.51	368.52	7.48	-70.03
COC1=CC=CC2=C(NCC3CCC4(CC(C(=O)[O-])C4)O3)C(C)=C[NH+]=C12	REAL300013348925	1	50	0.0	-63.34	383.21	7.66	-55.68
CCCCNC1=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=NC(N)=[NH+]1	REAL300013348955	0	52	0.0	-64.08	406.30	7.77	-56.31
CCCCNC1=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=[NH+]C(N)=N1	REAL300013348955	1	52	0.0	-59.32	406.30	7.77	-51.55
O=C([O-])C1CC2(C1)CCC(CNC1=CC=[NH+]C=C1Br)O2	REAL300013348963	1	37	0.0	-70.51	315.63	6.36	-64.15
CC(C)NC1=NC(NCCO)=[NH+]C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=N1	REAL300013348971	0	55	0.0	-63.58	433.83	8.54	-55.04
CC(C)NC1=[NH+]C(NCCO)=NC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=N1	REAL300013348971	1	55	0.0	-61.76	433.13	8.52	-53.24
CC(C)NC1=NC(NCCO)=NC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=[NH+]1	REAL300013348971	1	55	0.0	-61.42	433.17	8.51	-52.91
CCNC1=[NH+]C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=NC(NC(C)(C)C)=N1	REAL300013348988	0	57	0.0	-61.49	435.01	12.77	-48.72
CCNC1=NC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=NC(NC(C)(C)C)=[NH+]1	REAL300013348988	1	57	0.0	-59.03	432.83	12.48	-46.55
CCNC1=NC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=[NH+]C(NC(C)(C)C)=N1	REAL300013348988	1	57	0.0	-57.65	433.55	12.52	-45.13
CN(C1=CC=CC=C1)C1=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=[NH+]C=N1	REAL300013349016	1	51	0.0	-64.88	405.08	10.57	-54.31
O=C([O-])C1CC2(C1)CCC(CNC1=CC=[NH+]C3=CC(F)=C(Cl)C=C13)O2	REAL300013349041	1	43	0.0	-71.78	362.35	8.44	-63.34
CC(O)C1CCN(C2=CC(NCC3CCC4(CC(C(=O)[O-])C4)O3)=[NH+]C=N2)C1	REAL300013349042	0	55	0.0	-64.26	416.92	6.12	-58.14
CC(O)C1CCN(C2=CC(NCC3CCC4(CC(C(=O)[O-])C4)O3)=NC=[NH+]2)C1	REAL300013349042	1	55	0.0	-66.63	417.59	5.72	-60.91
O=C([O-])C1CC2(C1)CCC(CNC1=[NH+]C=NC3=C1C1=C(C=CC=C1)N3)O2	REAL300013349045	1	46	0.0	-67.10	366.75	9.84	-57.26
CCCC1=CC2=C(NCC3CCC4(CC(C(=O)[O-])C4)O3)C=C[NH+]=C2C=C1	REAL300013349049	0	52	0.0	-65.29	404.21	10.08	-55.21
CCC1=CC2=C(NCC3CCC4(CC(C(=O)[O-])C4)O3)C=C[NH+]=C2C=C1	REAL300013349050	0	49	0.0	-65.11	382.71	9.30	-55.81
CC(C)OC1=CC2=C(NCC3CCC4(CC(C(=O)[O-])C4)O3)C=C[NH+]=C2C=C1	REAL300013349054	0	53	0.0	-69.56	408.98	8.72	-60.84
O=C([O-])C1CC2(C1)CCC(CNC1=CC(NC3CC3)=NC=[NH+]1)O2	REAL300013349062	0	45	0.0	-62.24	357.50	7.69	-54.55
O=C([O-])C1CC2(C1)CCC(CNC1=CC(NC3CC3)=[NH+]C=N1)O2	REAL300013349062	1	45	0.0	-66.16	357.91	7.68	-58.48
CC1=[NH+]C2=CC=CC=C2C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=C1	REAL300013349112	0	46	0.0	-61.18	361.16	8.45	-52.73
O=C([O-])C1CC2(C1)CCC(CNC1=CC=[NH+]C3=CC=C(Br)C=C13)O2	REAL300013349173	1	43	0.0	-69.63	361.12	8.49	-61.14
O=C([O-])C1CC2(C1)CCC(CNC1=CC=[NH+]C3=C(Br)C=CC=C13)O2	REAL300013349180	1	43	0.0	-62.02	358.48	8.58	-53.44
CC(C)C1=[NH+]C=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=N1	REAL300013349205	1	45	0.0	-67.86	352.11	7.57	-60.29
O=C([O-])C1CC2(C1)CCC(CNC1=[NH+]C=CC(N3CCCC3)=N1)O2	REAL300013349206	0	48	0.0	-68.74	370.70	8.78	-59.96
O=C([O-])C1CC2(C1)CCC(CNC1=CC=[NH+]C3=CC(F)=CC=C13)O2	REAL300013349227	0	43	0.0	-66.69	346.25	7.95	-58.74
O=C([O-])C1CC2(C1)CCC(CNC1=[NH+]C=CC3=CC(F)=CC=C31)O2	REAL300013349247	1	43	0.0	-66.17	346.07	9.15	-57.02
CC1=CC2=C(NCC3CCC4(CC(C(=O)[O-])C4)O3)[NH+]=CC=C2C=C1	REAL300013349248	1	46	0.0	-63.15	361.02	9.74	-53.41
CC1=CC=CC2=C(NCC3CCC4(CC(C(=O)[O-])C4)O3)[NH+]=CC=C12	REAL300013349249	1	46	0.0	-62.45	358.32	9.68	-52.77
CC1(C)CCCN(C2=CC=[NH+]C(NCC3CCC4(CC(C(=O)[O-])C4)O3)=N2)C1	REAL300013349255	0	57	0.0	-71.88	425.47	10.41	-61.47
CC1=CC2=C(NCC3CCC4(CC(C(=O)[O-])C4)O3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013349260	0	56	0.0	-63.47	427.60	10.93	-52.54
CC1=CC(C(F)(F)F)=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=[NH+]1	REAL300013349264	0	43	0.0	-62.01	356.90	8.10	-53.91
COC1=CC2=[NH+]C=CC(NCC3CCC4(CC(C(=O)[O-])C4)O3)=C2C=C1OC	REAL300013349272	0	51	0.0	-69.21	398.25	7.12	-62.09
COC1=C(N)[NH+]=CN=C1NCC1CCC2(CC(C(=O)[O-])C2)O1	REAL300013349292	0	42	0.0	-67.05	340.09	4.96	-62.09
COC1=C(N)N=C[NH+]=C1NCC1CCC2(CC(C(=O)[O-])C2)O1	REAL300013349292	1	42	0.0	-66.39	339.03	4.88	-61.51
O=C([O-])C1CC2(C1)CCC(CNC1=C3SC=CC3=[NH+]C=C1)O2	REAL300013349304	1	40	0.0	-66.63	333.13	6.92	-59.71
O=C([O-])C1CC2(C1)CCC(CNC1=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N1)O2	REAL300013349321	0	52	0.0	-71.51	409.69	10.67	-60.84
O=C([O-])C1CC2(C1)CCC(CNC1=[NH+]C=CC3=CC=CC=C31)O2	REAL300013349337	1	43	0.0	-63.02	339.68	9.09	-53.93
CC1=CC=C2C(NCC3CCC4(CC(C(=O)[O-])C4)O3)=CC(C)=[NH+]C2=C1Cl	REAL300013349359	0	49	0.0	-58.73	394.17	9.61	-49.12
O=C([O-])C1CC2(C1)CCC(CNC1=[NH+]C=CC3=CC=CC=C31)O2	REAL300013349361	1	43	0.0	-63.02	339.68	9.09	-53.93
CC1=NC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013349362	1	51	0.0	-62.18	403.80	9.93	-52.25
CC1=[NH+]C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=CC(NC2=CC=CC=C2)=N1	REAL300013349362	1	51	0.0	-61.35	405.31	10.31	-51.04
CC1=[NH+]C=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=C1Br	REAL300013349366	0	40	0.0	-67.05	334.53	6.90	-60.15
CN(C)C1=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=[NH+]C=N1	REAL300013349368	0	44	0.0	-62.13	346.14	7.88	-54.25
CN(C)C1=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=NC=[NH+]1	REAL300013349368	1	44	0.0	-66.03	343.34	7.85	-58.18
CN(C1=CC=[NH+]C(NCC2CCC3(CC(C(=O)[O-])C3)O2)=N1)C1CCCCC1	REAL300013349369	0	57	0.0	-67.17	425.19	12.08	-55.09
CC1=CC(N(C)C(C)C)=NC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=[NH+]1	REAL300013349370	0	53	0.0	-62.98	405.11	10.68	-52.30
O=C([O-])C1CC2(C1)CCC(CNC1=[NH+]C=CC(N3C=CN=C3)=N1)O2	REAL300013349371	1	43	0.0	-79.34	349.96	10.56	-68.78
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=[NH+]1	REAL300013349374	0	54	0.0	-68.12	426.57	11.87	-56.25
CC1=CC(N2C=CC=N2)=NC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=[NH+]1	REAL300013349375	1	46	0.0	-66.78	373.99	9.92	-56.86
CC1=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=NC(N(C)C(C)C)=[NH+]1	REAL300013349378	0	53	0.0	-63.07	405.25	10.80	-52.27
CN(C1=[NH+]C=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=N1)C1CCCCC1	REAL300013349381	0	57	0.0	-67.21	425.34	12.11	-55.10
CC1=CC=CC2=CC=[NH+]C(NCC3CCC4(CC(C(=O)[O-])C4)O3)=C12	REAL300013349415	0	46	0.0	-61.80	353.90	10.10	-51.70
O=C([O-])C1CC2(C1)CCC(CNC1=C3C=CNC3=NC(C3CC3)=[NH+]1)O2	REAL300013349444	1	47	0.0	-60.21	373.61	9.13	-51.08
O=C([O-])C1CC2(C1)CCC(CNC1=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C13)O2	REAL300013349445	0	47	0.0	-68.24	385.75	7.67	-60.57
CN(C)C1=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=[NH+]C(N(C)C)=N1	REAL300013349452	0	52	0.0	-57.20	399.68	10.36	-46.84
CN(C)C1=CC(NCC2CCC3(CC(C(=O)[O-])C3)O2)=NC(N(C)C)=[NH+]1	REAL300013349452	1	52	0.0	-61.64	397.19	10.23	-51.41
CC1=C(Cl)C2=[NH+]C=CC(NCC3CCC4(CC(C(=O)[O-])C4)O3)=C2C=C1	REAL300013349462	1	46	0.0	-61.99	372.88	9.03	-52.96
CCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C3=CC=C(F)C=C32)C1	REAL300013349475	0	44	0.0	-51.95	326.50	9.02	-42.93
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013349482	0	47	0.0	-49.79	345.27	9.65	-40.14
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013349482	1	47	0.0	-60.87	348.17	9.05	-51.82
CCC1(C(=O)[O-])CCCN(C2=CC(NCC3CC3)=[NH+]C=N2)C1	REAL300013349490	0	46	0.0	-60.41	342.03	9.19	-51.22
CCC1(C(=O)[O-])CCCN(C2=CC(NCC3CC3)=NC=[NH+]2)C1	REAL300013349490	1	46	0.0	-50.66	343.49	8.71	-41.95
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCC3)=[NH+]C=N2)C1	REAL300013349501	0	46	0.0	-55.96	332.31	8.51	-47.45
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCC3)=NC=[NH+]2)C1	REAL300013349501	1	46	0.0	-43.03	332.92	8.68	-34.35
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3)=[NH+]C=N2)C1	REAL300013349502	0	49	0.0	-57.84	347.43	9.45	-48.39
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3)=NC=[NH+]2)C1	REAL300013349502	1	49	0.0	-42.61	349.74	9.44	-33.17
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013349503	0	53	0.0	-46.44	384.34	6.72	-39.72
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013349503	1	53	0.0	-60.86	382.08	6.69	-54.17
CCCC1=[NH+]C2=CC=CC=C2C(N2CCCC(CC)(C(=O)[O-])C2)=C1	REAL300013349504	0	50	0.0	-52.61	366.18	10.44	-42.17
CCC1(C(=O)[O-])CCCN(C2=NC3=CC(OC)=C(OC)C=C3C(N)=[NH+]2)C1	REAL300013349535	0	50	0.0	-64.58	370.34	7.79	-56.79
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C1	REAL300013349548	0	44	0.0	-59.71	340.49	9.35	-50.36
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)C1	REAL300013349559	1	41	0.0	-62.64	314.95	8.96	-53.68
CCC1(C(=O)[O-])CCCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013349562	1	38	0.0	-51.43	299.06	8.26	-43.17
CCC1(C(=O)[O-])CCCN(C2=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N2)C1	REAL300013349563	1	58	0.0	-56.07	414.00	11.51	-44.56
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013349571	0	47	0.0	-49.00	337.03	7.31	-41.69
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013349571	1	47	0.0	-59.92	338.52	7.00	-52.92
CCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C(C3=CC=C([N+](=O)[O-])C=C3)=N2)C1	REAL300013349578	1	49	0.0	-60.63	382.00	11.86	-48.77
CCC1(C(=O)[O-])CCCN(C2=[NH+]C3=CC(C)=CC=C3C(C)=C2)C1	REAL300013349591	1	47	0.0	-45.78	345.85	10.37	-35.41
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)C1	REAL300013349609	1	41	0.0	-57.73	318.66	8.85	-48.88
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1	REAL300013349622	1	41	0.0	-57.85	323.21	8.95	-48.90
CCC1(C(=O)[O-])CCCN(C2=C(C)C(C)=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013349652	0	47	0.0	-53.87	356.21	10.28	-43.59
CCC1(C(=O)[O-])CCCN(C2=CC(NCC(C)O)=[NH+]C=N2)C1	REAL300013349673	0	46	0.0	-61.41	342.65	5.13	-56.28
CCC1(C(=O)[O-])CCCN(C2=CC(NCC(C)O)=NC=[NH+]2)C1	REAL300013349673	1	46	0.0	-47.58	340.56	4.91	-42.67
CCC1(C(=O)[O-])CCCN(C2=CC(N3C=CC=N3)=NC(N)=[NH+]2)C1	REAL300013349681	0	43	0.0	-44.48	334.36	8.28	-36.20
CCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N3CCOCC3)=N2)C1	REAL300013349685	0	47	0.0	-55.49	342.34	6.72	-48.77
CCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C3=C(OC)C=CC=C23)C1	REAL300013349690	1	48	0.0	-46.74	348.52	8.38	-38.36
CCOC(=O)C1=C(N2CCCC(CC)(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013349691	1	56	0.0	-62.09	401.28	12.47	-49.62
CCC1=[NH+]C2=CC=CC=C2C(N2CCCC(CC)(C(=O)[O-])C2)=C1	REAL300013349702	0	47	0.0	-50.97	348.33	10.18	-40.79
CCC1(C(=O)[O-])CCCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013349706	1	38	0.0	-51.43	299.06	8.26	-43.17
CCC1(C(=O)[O-])CCCN(C2=NC(C(C)C)=[NH+]C(N(C)C)=N2)C1	REAL300013349716	1	50	0.0	-50.85	365.26	12.66	-38.19
CCC1(C(=O)[O-])CCCN(C2=[NH+]C(C(C)C)=NC(N(C)C)=N2)C1	REAL300013349716	1	50	0.0	-43.70	368.08	11.73	-31.97
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C(N3CCCCC3)=N2)C1	REAL300013349722	0	49	0.0	-63.00	349.76	10.00	-53.00
CCC1=C(N2CCCC(CC)(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013349735	0	50	0.0	-55.08	354.31	10.50	-44.58
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013349742	0	53	0.0	-45.65	382.56	5.89	-39.76
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013349742	1	53	0.0	-57.01	383.26	6.19	-50.82
CCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C3=CC=C([N+](=O)[O-])C=C32)C1	REAL300013349746	0	46	0.0	-69.26	347.58	9.67	-59.59
CCC1(C(=O)[O-])CCCN(C2=C(C)C(C)=[NH+]C3=CC=CC=C32)C1	REAL300013349752	0	47	0.0	-54.65	334.30	9.80	-44.85
CCC1(C(=O)[O-])CCCN(C2=C(C)C=[NH+]C3=C(C)C=CC=C32)C1	REAL300013349759	0	47	0.0	-52.56	336.26	10.28	-42.28
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C=C2Br)C1	REAL300013349761	1	35	0.0	-57.37	273.93	6.89	-50.48
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCN(C)C(=O)C3)=NC=[NH+]2)C1	REAL300013349762	0	50	0.0	-53.79	371.07	7.06	-46.73
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCN(C)C(=O)C3)=[NH+]C=N2)C1	REAL300013349762	1	50	0.0	-65.83	364.07	6.26	-59.57
CCC1(C(=O)[O-])CCCN(C2=CC(NC3CCCOC3C(C)C)=[NH+]C=N2)C1	REAL300013349774	0	59	0.0	-59.26	418.17	10.36	-48.90
CCC1(C(=O)[O-])CCCN(C2=CC(NC3CCCOC3C(C)C)=NC=[NH+]2)C1	REAL300013349774	1	59	0.0	-50.24	419.58	9.86	-40.38
CCOC(=O)C1=C[NH+]=CC=C1N1CCCC(CC)(C(=O)[O-])C1	REAL300013349776	1	44	0.0	-67.23	333.17	8.88	-58.35
CCC1(C(=O)[O-])CCCN(C2=[NH+]C3=CC=CC=C3C(=O)N2)C1	REAL300013349791	1	41	0.0	-46.10	310.58	9.59	-36.51
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C1	REAL300013349797	0	52	0.0	-66.51	387.79	11.32	-55.19
CCCCNC1=CC(N2CCCC(CC)(C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013349812	0	50	0.0	-59.63	371.85	8.70	-50.93
CCCCNC1=CC(N2CCCC(CC)(C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013349812	1	50	0.0	-47.02	369.97	8.08	-38.94
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C=C2Br)C1	REAL300013349820	1	35	0.0	-57.37	273.93	6.89	-50.48
CCC1(C(=O)[O-])CCCN(C2=NC(NCCO)=[NH+]C(NC(C)C)=N2)C1	REAL300013349825	0	53	0.0	-53.51	395.51	8.96	-44.55
CCC1(C(=O)[O-])CCCN(C2=[NH+]C(NCCO)=NC(NC(C)C)=N2)C1	REAL300013349825	1	53	0.0	-45.82	397.61	8.20	-37.62
CCC1(C(=O)[O-])CCCN(C2=NC(NCCO)=NC(NC(C)C)=[NH+]2)C1	REAL300013349825	1	53	0.0	-44.86	397.00	8.18	-36.68
CCC1(C(=O)[O-])CCCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013349835	1	38	0.0	-51.43	299.06	8.26	-43.17
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCCC(CC)(C(=O)[O-])C2)=N1	REAL300013349840	0	55	0.0	-51.83	397.48	13.24	-38.59
CCNC1=NC(NC(C)(C)C)=NC(N2CCCC(CC)(C(=O)[O-])C2)=[NH+]1	REAL300013349840	1	55	0.0	-43.20	398.79	12.42	-30.78
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCCC(CC)(C(=O)[O-])C2)=N1	REAL300013349840	1	55	0.0	-41.53	396.31	12.12	-29.41
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCC(C(C)O)C3)=NC=[NH+]2)C1	REAL300013349888	0	53	0.0	-47.91	387.99	6.32	-41.59
CCC1(C(=O)[O-])CCCN(C2=CC(N3CCC(C(C)O)C3)=[NH+]C=N2)C1	REAL300013349888	1	53	0.0	-63.15	384.38	6.01	-57.14
CCC1(C(=O)[O-])CCCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C1	REAL300013349890	1	44	0.0	-44.60	325.23	9.95	-34.65
CCCC1=CC2=C(N3CCCC(CC)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013349894	0	50	0.0	-59.03	362.59	10.66	-48.37
CCC1=CC2=C(N3CCCC(CC)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013349895	0	47	0.0	-58.75	341.08	9.87	-48.88
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(OC(C)C)C=C32)C1	REAL300013349898	0	51	0.0	-64.41	367.50	9.30	-55.11
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013350022	1	41	0.0	-62.59	319.51	9.06	-53.53
CCOC1=CC2=[NH+]C=CC(N3CCCC(CC)(C(=O)[O-])C3)=C2C=C1OCC	REAL300013350041	0	55	0.0	-60.88	400.35	9.53	-51.35
CCC1=CC(N2CCCC(CC)(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013350043	1	49	0.0	-55.42	370.41	9.35	-46.07
CCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N3CCCC3)=N2)C1	REAL300013350055	0	46	0.0	-53.50	334.35	8.42	-45.08
CCC1(C(=O)[O-])CCCN(C2=[NH+]C3=CC=CC=C3C(=O)N2)C1	REAL300013350064	1	41	0.0	-46.10	310.58	9.59	-36.51
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(F)=CC=C32)C1	REAL300013350076	0	41	0.0	-57.99	308.36	8.42	-49.57
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(OC)=C(Br)C=C32)C1	REAL300013350090	0	45	0.0	-63.50	347.99	8.43	-55.07
CCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N3CCCC(C)(C)C3)=N2)C1	REAL300013350101	0	55	0.0	-62.87	386.28	11.36	-51.51
CCC1(C(=O)[O-])CCCN(C2=C3CCCCC3=[NH+]C3=CC(F)=C(C)C=C32)C1	REAL300013350106	0	54	0.0	-49.56	381.25	11.91	-37.65
CCC1(C(=O)[O-])CCCN(C2=CC(C(F)(F)F)=CC(C)=[NH+]2)C1	REAL300013350109	0	41	0.0	-50.69	321.28	8.63	-42.06
CCC1(C(=O)[O-])CCCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C1	REAL300013350111	1	46	0.0	-54.77	347.45	10.79	-43.98
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(OC)=C(OC)C=C32)C1	REAL300013350115	0	49	0.0	-60.94	356.64	7.69	-53.25
CCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013350152	0	50	0.0	-65.63	371.87	11.14	-54.49
CCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C3=C(Cl)C(C)=CC=C23)C1	REAL300013350182	0	47	0.0	-45.67	353.17	10.12	-35.55
CCC1(C(=O)[O-])CCCN(C2=CC(NC3=CC=CC=C3)=[NH+]C(C)=N2)C1	REAL300013350184	0	49	0.0	-58.44	368.94	10.35	-48.09
CCC1(C(=O)[O-])CCCN(C2=CC(NC3=CC=CC=C3)=NC(C)=[NH+]2)C1	REAL300013350184	1	49	0.0	-42.76	370.17	9.71	-33.05
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C(C)=C2Br)C1	REAL300013350187	0	38	0.0	-58.88	297.67	8.10	-50.78
CCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N(C)C3CCCCC3)=N2)C1	REAL300013350189	0	55	0.0	-51.98	388.84	11.70	-40.28
CCC1(C(=O)[O-])CCCN(C2=[NH+]C(C)=CC(N(C)C(C)C)=N2)C1	REAL300013350190	0	51	0.0	-54.46	367.29	11.17	-43.29
CCC1(C(=O)[O-])CCCN(C2=[NH+]C(C)=CC(N(C)C3=CC=CC=C3)=N2)C1	REAL300013350194	0	52	0.0	-52.39	391.21	13.23	-39.16
CCC1(C(=O)[O-])CCCN(C2=[NH+]C(C)=CC(N3C=CC=N3)=N2)C1	REAL300013350195	1	44	0.0	-56.54	336.17	10.37	-46.17
CCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C(N(C)C(C)C)=N2)C1	REAL300013350198	0	51	0.0	-59.83	370.80	11.74	-48.09
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C(N(C)C3CCCCC3)=N2)C1	REAL300013350201	0	55	0.0	-64.51	387.53	12.91	-51.60
CCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C(N(C)C3=CC=CC=C3)=N2)C1	REAL300013350203	1	52	0.0	-63.52	392.68	13.70	-49.82
CCC1(C(=O)[O-])CCCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)C1	REAL300013350248	0	45	0.0	-42.45	332.21	9.52	-32.93
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013350249	0	45	0.0	-59.36	347.85	8.14	-51.22
CCC1(C(=O)[O-])CCCN(C2=CC(N(C)C)=[NH+]C(N(C)C)=N2)C1	REAL300013350253	1	50	0.0	-50.82	362.33	11.37	-39.45
CCC1(C(=O)[O-])CCCN(C2=CC(N(C)C)=NC(N(C)C)=[NH+]2)C1	REAL300013350253	1	50	0.0	-44.66	362.49	10.76	-33.90
CCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=C(Cl)C(C)=CC=C23)C1	REAL300013350261	1	44	0.0	-52.12	331.26	9.60	-42.52
CC1=[NH+]C2=CC=C(F)C=C2C(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300013350274	0	42	0.0	-66.71	336.99	9.39	-57.32
O=C([O-])[C@@H]1CN(C2=CC(N3CCSCC3)=NC=[NH+]2)C[C@H]1C1CC1	REAL300013350281	0	45	0.0	-56.61	355.02	9.02	-47.59
O=C([O-])[C@@H]1CN(C2=CC(N3CCSCC3)=[NH+]C=N2)C[C@H]1C1CC1	REAL300013350281	1	45	0.0	-58.79	353.65	9.19	-49.60
O=C([O-])[C@@H]1CN(C2=CC(NCC3CC3)=[NH+]C=N2)C[C@H]1C1CC1	REAL300013350289	0	44	0.0	-58.13	347.55	9.33	-48.80
O=C([O-])[C@@H]1CN(C2=CC(NCC3CC3)=NC=[NH+]2)C[C@H]1C1CC1	REAL300013350289	1	44	0.0	-51.94	342.57	9.06	-42.88
O=C([O-])[C@@H]1CN(C2=CC(N3CCCC3)=[NH+]C=N2)C[C@H]1C1CC1	REAL300013350300	0	44	0.0	-59.88	333.34	7.84	-52.04
O=C([O-])[C@@H]1CN(C2=CC(N3CCCC3)=NC=[NH+]2)C[C@H]1C1CC1	REAL300013350300	1	44	0.0	-51.70	330.92	8.12	-43.58
O=C([O-])[C@@H]1CN(C2=CC(N3CCCCC3)=[NH+]C=N2)C[C@H]1C1CC1	REAL300013350301	0	47	0.0	-59.48	349.24	8.82	-50.66
O=C([O-])[C@@H]1CN(C2=CC(N3CCCCC3)=NC=[NH+]2)C[C@H]1C1CC1	REAL300013350301	1	47	0.0	-50.11	347.80	8.87	-41.24
O=C([O-])[C@@H]1CN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C[C@H]1C1CC1	REAL300013350302	0	51	0.0	-49.14	386.70	6.64	-42.50
O=C([O-])[C@@H]1CN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C[C@H]1C1CC1	REAL300013350302	1	51	0.0	-65.35	376.90	5.99	-59.36
CCCC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300013350303	0	48	0.0	-50.69	374.04	10.99	-39.70
COC1=CC2=NC(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=[NH+]C(N)=C2C=C1OC	REAL300013350334	0	48	0.0	-60.71	368.45	6.91	-53.80
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C[C@H]1C1CC1	REAL300013350347	0	42	0.0	-63.78	335.20	9.14	-54.64
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)C[C@H]1C1CC1	REAL300013350358	1	39	0.0	-66.65	313.37	8.64	-58.01
O=C([O-])[C@@H]1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)C[C@H]1C1CC1	REAL300013350361	1	36	0.0	-57.66	295.73	7.58	-50.08
CC(C)(C)C1=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NC(C(C)(C)C)=[NH+]1	REAL300013350362	1	56	0.0	-47.55	416.99	11.65	-35.90
O=C([O-])[C@@H]1CN(C2=CC(N3CCOCC3)=NC=[NH+]2)C[C@H]1C1CC1	REAL300013350370	0	45	0.0	-55.66	346.78	6.68	-48.98
O=C([O-])[C@@H]1CN(C2=CC(N3CCOCC3)=[NH+]C=N2)C[C@H]1C1CC1	REAL300013350370	1	45	0.0	-57.51	344.01	7.13	-50.38
CC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013350377	1	47	0.0	-63.21	386.08	11.67	-51.54
CC1=CC2=[NH+]C(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=CC(C)=C2C=C1	REAL300013350390	1	45	0.0	-47.08	342.52	10.29	-36.79
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)C[C@H]1C1CC1	REAL300013350408	1	39	0.0	-61.46	313.35	8.64	-52.82
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C[C@H]1C1CC1	REAL300013350420	1	39	0.0	-61.61	317.92	8.74	-52.87
CC1=[NH+]C2=CC=C(Br)C=C2C(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1C	REAL300013350449	0	45	0.0	-61.14	351.13	9.96	-51.18
CC(O)CNC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NC=[NH+]1	REAL300013350471	0	44	0.0	-63.66	340.49	4.40	-59.26
CC(O)CNC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=[NH+]C=N1	REAL300013350471	1	44	0.0	-53.59	344.90	4.43	-49.16
NC1=[NH+]C(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CC(N2C=CC=N2)=N1	REAL300013350479	0	41	0.0	-47.42	334.59	8.60	-38.82
O=C([O-])[C@@H]1CN(C2=[NH+]C=CC(N3CCOCC3)=N2)C[C@H]1C1CC1	REAL300013350483	0	45	0.0	-56.06	346.15	7.44	-48.62
COC1=CC=CC2=C(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C(C)[NH+]=C12	REAL300013350488	1	46	0.0	-50.70	339.22	7.80	-42.90
CCOC(=O)C1=C(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013350489	1	51	0.0	-65.54	399.02	9.21	-56.33
CCOC(=O)C1=C(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013350490	1	54	0.0	-57.97	408.77	11.80	-46.17
CCC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300013350498	0	45	0.0	-50.64	351.53	10.04	-40.60
O=C([O-])[C@@H]1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)C[C@H]1C1CC1	REAL300013350502	1	36	0.0	-57.66	295.73	7.58	-50.08
CC(C)C1=[NH+]C(N(C)C)=NC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N1	REAL300013350512	1	48	0.0	-51.99	368.92	12.47	-39.52
CC(C)C1=NC(N(C)C)=NC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=[NH+]1	REAL300013350512	1	48	0.0	-47.59	364.61	11.68	-35.91
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C(N3CCCCC3)=N2)C[C@H]1C1CC1	REAL300013350518	0	47	0.0	-56.24	355.26	10.12	-46.12
CCC1=C(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=CC=CC=C2[NH+]=C1C	REAL300013350530	0	48	0.0	-56.56	357.56	10.38	-46.18
O=C([O-])[C@@H]1CN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C[C@H]1C1CC1	REAL300013350537	0	51	0.0	-49.45	384.26	5.86	-43.59
O=C([O-])[C@@H]1CN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C[C@H]1C1CC1	REAL300013350537	1	51	0.0	-53.03	385.30	6.19	-46.84
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300013350541	0	44	0.0	-78.04	358.64	9.99	-68.05
CC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1C	REAL300013350546	0	45	0.0	-58.77	337.55	9.61	-49.16
CC1=C2[NH+]=CC(C)=C(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C2=CC=C1	REAL300013350553	0	45	0.0	-59.45	337.98	9.91	-49.54
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C=C2Br)C[C@H]1C1CC1	REAL300013350555	1	33	0.0	-65.65	265.09	6.33	-59.32
CN1CCN(C2=CC(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=[NH+]C=N2)CC1=O	REAL300013350556	0	48	0.0	-59.98	364.42	6.86	-53.12
CN1CCN(C2=CC(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=NC=[NH+]2)CC1=O	REAL300013350556	1	48	0.0	-68.25	369.65	7.55	-60.70
CC(C)C1OCCCC1NC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NC=[NH+]1	REAL300013350568	0	57	0.0	-56.53	423.62	10.49	-46.04
CC(C)C1OCCCC1NC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=[NH+]C=N1	REAL300013350568	1	57	0.0	-48.46	423.07	10.14	-38.32
CCOC(=O)C1=C[NH+]=CC=C1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300013350570	1	42	0.0	-74.94	327.51	8.57	-66.37
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C[C@H]1C1CC1	REAL300013350590	0	50	0.0	-70.86	385.59	10.98	-59.88
CCCCNC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NC(N)=[NH+]1	REAL300013350605	0	48	0.0	-59.38	366.40	7.83	-51.55
CCCCNC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=[NH+]C(N)=N1	REAL300013350605	1	48	0.0	-47.83	366.45	7.83	-40.00
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C=C2Br)C[C@H]1C1CC1	REAL300013350613	1	33	0.0	-65.65	265.09	6.33	-59.32
CC(C)NC1=[NH+]C(NCCO)=NC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N1	REAL300013350618	0	51	0.0	-56.14	393.63	8.10	-48.04
CC(C)NC1=NC(NCCO)=[NH+]C(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N1	REAL300013350618	1	51	0.0	-49.94	394.18	8.13	-41.81
CC(C)NC1=NC(NCCO)=NC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=[NH+]1	REAL300013350618	1	51	0.0	-49.17	393.52	8.11	-41.06
O=C([O-])[C@@H]1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)C[C@H]1C1CC1	REAL300013350628	1	36	0.0	-57.66	295.73	7.58	-50.08
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N1	REAL300013350633	0	53	0.0	-50.52	398.87	12.73	-37.79
CCNC1=NC(NC(C)(C)C)=NC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=[NH+]1	REAL300013350633	1	53	0.0	-47.82	395.35	12.36	-35.46
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N1	REAL300013350633	1	53	0.0	-47.97	397.41	12.43	-35.54
CC(O)C1CCN(C2=CC(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=[NH+]C=N2)C1	REAL300013350681	0	51	0.0	-56.10	382.40	5.93	-50.17
CC(O)C1CCN(C2=CC(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=NC=[NH+]2)C1	REAL300013350681	1	51	0.0	-57.66	381.02	6.52	-51.14
O=C([O-])[C@@H]1CN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C[C@H]1C1CC1	REAL300013350683	1	42	0.0	-58.05	337.71	10.13	-47.92
CCCC1=CC2=C(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C[NH+]=C2C=C1	REAL300013350687	0	48	0.0	-62.44	361.01	10.34	-52.10
CCC1=CC2=C(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C[NH+]=C2C=C1	REAL300013350688	0	45	0.0	-62.19	339.51	9.56	-52.63
CC(C)OC1=CC2=C(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C[NH+]=C2C=C1	REAL300013350691	0	49	0.0	-68.92	365.80	8.99	-59.93
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C[C@H]1C1CC1	REAL300013350813	1	39	0.0	-66.50	317.93	8.74	-57.76
CCOC1=CC2=[NH+]C=CC(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=C2C=C1OCC	REAL300013350832	0	53	0.0	-57.31	410.07	9.92	-47.39
CCC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013350834	1	47	0.0	-62.15	366.93	9.10	-53.05
O=C([O-])[C@@H]1CN(C2=[NH+]C=CC(N3CCCC3)=N2)C[C@H]1C1CC1	REAL300013350846	0	44	0.0	-54.20	338.19	9.15	-45.05
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC(F)=CC=C32)C[C@H]1C1CC1	REAL300013350866	0	39	0.0	-61.53	303.06	8.21	-53.32
COC1=CC2=[NH+]C=CC(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=C2C=C1Br	REAL300013350880	0	43	0.0	-67.27	346.39	8.12	-59.15
CC1(C)CCCN(C2=CC=[NH+]C(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=N2)C1	REAL300013350891	0	53	0.0	-59.71	384.45	10.49	-49.22
CC1=CC2=C(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013350896	0	52	0.0	-57.35	388.33	11.58	-45.77
CC1=CC(C(F)(F)F)=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=[NH+]1	REAL300013350899	0	39	0.0	-51.03	323.58	8.44	-42.59
O=C([O-])[C@@H]1CN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C[C@H]1C1CC1	REAL300013350901	1	44	0.0	-59.70	342.27	10.09	-49.61
COC1=CC2=[NH+]C=CC(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=C2C=C1OC	REAL300013350905	0	47	0.0	-57.61	366.36	8.08	-49.53
O=C([O-])[C@@H]1CN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C[C@H]1C1CC1	REAL300013350941	0	48	0.0	-55.85	376.85	11.03	-44.82
CC1=CC=C2C(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=CC(C)=[NH+]C2=C1Cl	REAL300013350971	0	45	0.0	-53.76	363.61	10.48	-43.28
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N1	REAL300013350973	0	47	0.0	-58.62	363.48	9.50	-49.12
CC1=NC(NC2=CC=CC=C2)=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=[NH+]1	REAL300013350973	1	47	0.0	-46.34	363.51	9.51	-36.83
CC1=[NH+]C=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1Br	REAL300013350976	0	36	0.0	-69.67	302.00	7.63	-62.04
CN(C1=CC=[NH+]C(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N1)C1CCCCC1	REAL300013350978	0	53	0.0	-52.65	392.68	12.44	-40.21
CC1=CC(N(C)C(C)C)=NC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=[NH+]1	REAL300013350979	0	49	0.0	-48.79	372.54	11.12	-37.67
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=[NH+]1	REAL300013350982	0	50	0.0	-51.56	393.09	12.29	-39.27
CC1=CC(N2C=CC=N2)=NC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=[NH+]1	REAL300013350983	1	42	0.0	-48.81	342.41	10.43	-38.38
CC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013350986	0	49	0.0	-58.50	365.34	10.88	-47.62
CN(C1=[NH+]C=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N1)C1CCCCC1	REAL300013350989	0	53	0.0	-57.11	393.03	13.05	-44.06
CC1=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013350991	1	50	0.0	-55.23	394.90	13.70	-41.53
O=C([O-])[C@@H]1CN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)C[C@H]1C1CC1	REAL300013351036	0	43	0.0	-44.69	335.57	9.42	-35.27
O=C([O-])[C@@H]1CN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C[C@H]1C1CC1	REAL300013351037	0	43	0.0	-63.50	342.56	7.94	-55.56
CN(C)C1=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NC(N(C)C)=[NH+]1	REAL300013351041	1	48	0.0	-51.96	364.88	11.16	-40.80
CN(C)C1=CC(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=[NH+]C(N(C)C)=N1	REAL300013351041	1	48	0.0	-43.21	366.77	10.96	-32.25
CC1=C(Cl)C2=[NH+]C=CC(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=C2C=C1	REAL300013351049	1	42	0.0	-57.14	336.97	9.49	-47.65
O=C([O-])C1=CC=C[NH+]=C1N1CC23CS(=O)(=O)CC2(C1)CCCC3	REAL300013351052	0	43	0.0	-59.35	325.04	5.75	-53.60
CCOC(=O)C1=NC(N)=NC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013351075	0	46	0.0	-53.28	381.55	9.22	-44.06
C[N@@H+]1CC2CCC(NC3=NC=C(C(=O)[O-])C=C3Cl)CC2C1	REAL300013351114	0	41	0.0	-71.68	328.98	8.69	-62.99
C[N@H+]1CC2CCC(NC3=NC=C(C(=O)[O-])C=C3Cl)CC2C1	REAL300013351114	1	41	0.0	-72.61	324.81	8.87	-63.74
C[N@@H+]1CC2CCC(NC3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2C1	REAL300013351115	0	44	0.0	-97.51	338.07	9.21	-88.30
C[N@H+]1CC2CCC(NC3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2C1	REAL300013351115	1	44	0.0	-97.48	338.36	9.22	-88.26
CCOC(=O)C(C#N)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013351127	0	42	0.0	-49.13	342.29	9.32	-39.81
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(N2CCCS2(=O)=O)CC1	REAL300013351137	0	44	0.0	-73.62	346.12	5.68	-67.94
CN(C1=[NH+]C=CC=C1C(=O)[O-])C1CCC(N2C(=O)C3=CC=CC=C3C2=O)CC1	REAL300013351157	0	49	0.0	-54.96	379.04	10.66	-44.30
COC1=CC=C(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)C=C1	REAL300013351179	0	43	0.0	-52.02	337.08	9.73	-42.29
COC(=O)C1=CC=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013351192	0	45	0.0	-54.48	362.31	11.10	-43.38
CC1=CC=[NH+]C(NCCCCCCCC(=O)[O-])=C1Br	REAL300013351234	1	40	0.0	-64.19	337.04	9.70	-54.49
CC1=[NH+]C2=CC=C(F)C=C2C(NCCCCCCCC(=O)[O-])=C1	REAL300013351235	0	46	0.0	-62.41	370.84	10.25	-52.16
O=C([O-])CCCCCCCNC1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013351242	0	49	0.0	-67.15	390.21	10.42	-56.73
O=C([O-])CCCCCCCNC1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013351242	1	49	0.0	-66.86	389.24	9.99	-56.87
O=C([O-])CCCCCCCNC1=CC(NCC2CC2)=NC=[NH+]1	REAL300013351251	0	48	0.0	-63.01	383.10	10.14	-52.87
O=C([O-])CCCCCCCNC1=CC(NCC2CC2)=[NH+]C=N1	REAL300013351251	1	48	0.0	-64.22	383.10	10.13	-54.09
O=C([O-])CCCCCCCNC1=CC(N2CCCC2)=NC=[NH+]1	REAL300013351262	0	48	0.0	-63.79	373.22	9.87	-53.92
O=C([O-])CCCCCCCNC1=CC(N2CCCC2)=[NH+]C=N1	REAL300013351262	1	48	0.0	-62.54	373.40	9.44	-53.10
O=C([O-])CCCCCCCNC1=CC(N2CCCCC2)=NC=[NH+]1	REAL300013351263	0	51	0.0	-63.79	390.86	10.53	-53.26
O=C([O-])CCCCCCCNC1=CC(N2CCCCC2)=[NH+]C=N1	REAL300013351263	1	51	0.0	-63.03	388.53	10.37	-52.66
O=C([O-])CCCCCCCNC1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013351264	0	55	0.0	-66.82	422.55	7.82	-59.00
O=C([O-])CCCCCCCNC1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013351264	1	55	0.0	-66.82	420.19	7.66	-59.16
CCCC1=[NH+]C2=CC=CC=C2C(NCCCCCCCC(=O)[O-])=C1	REAL300013351265	0	52	0.0	-58.21	407.36	11.70	-46.51
COC1=CC=C(NC2=CC(NCCCCCCCC(=O)[O-])=[NH+]C=N2)C(OC)=C1	REAL300013351268	1	56	0.0	-68.23	443.74	10.95	-57.28
COC1=CC2=NC(NCCCCCCCC(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013351295	0	52	0.0	-68.16	411.43	9.05	-59.11
O=C([O-])CCCCCCCNC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12	REAL300013351308	0	46	0.0	-66.34	381.67	10.62	-55.72
O=C([O-])CCCCCCCNC1=CC=[NH+]C2=CC=C(Cl)C=C12	REAL300013351321	1	43	0.0	-65.51	359.85	10.12	-55.39
O=C([O-])CCCCCCCNC1=CC(C(F)(F)F)=CC=[NH+]1	REAL300013351324	1	40	0.0	-67.87	339.04	9.26	-58.61
CC(C)(C)C1=CC(NCCCCCCCC(=O)[O-])=NC(C(C)(C)C)=[NH+]1	REAL300013351325	1	60	0.0	-57.33	451.74	12.35	-44.98
O=C([O-])CCCCCCCNC1=CC(N2CCOCC2)=NC=[NH+]1	REAL300013351333	0	49	0.0	-66.13	381.98	8.07	-58.06
O=C([O-])CCCCCCCNC1=CC(N2CCOCC2)=[NH+]C=N1	REAL300013351333	1	49	0.0	-65.19	379.62	7.93	-57.26
CC1=CC(NCCCCCCCC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013351340	1	51	0.0	-71.53	421.69	12.50	-59.03
CC1=CC2=[NH+]C(NCCCCCCCC(=O)[O-])=CC(C)=C2C=C1	REAL300013351353	1	49	0.0	-57.88	385.02	11.57	-46.31
O=C([O-])CCCCCCCNC1=CC=[NH+]C2=CC(Cl)=CC=C12	REAL300013351371	1	43	0.0	-64.01	359.83	10.11	-53.90
O=C([O-])CCCCCCCNC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013351384	1	43	0.0	-64.15	364.39	10.22	-53.93
CC1=[NH+]C2=CC=C(Br)C=C2C(NCCCCCCCC(=O)[O-])=C1C	REAL300013351415	0	49	0.0	-62.89	402.66	11.35	-51.54
CC1=C(NCCCCCCCC(=O)[O-])C2=CC=CC=C2[NH+]=C1	REAL300013351428	0	46	0.0	-63.07	364.29	10.28	-52.79
CC(O)CNC1=CC(NCCCCCCCC(=O)[O-])=[NH+]C=N1	REAL300013351438	0	48	0.0	-64.64	384.02	6.01	-58.63
CC(O)CNC1=CC(NCCCCCCCC(=O)[O-])=NC=[NH+]1	REAL300013351438	1	48	0.0	-64.89	383.72	6.07	-58.82
NC1=[NH+]C(NCCCCCCCC(=O)[O-])=CC(N2C=CC=N2)=N1	REAL300013351448	0	45	0.0	-64.42	370.82	9.74	-54.68
O=C([O-])CCCCCCCNC1=[NH+]C=CC(N2CCOCC2)=N1	REAL300013351453	0	49	0.0	-66.89	381.95	8.81	-58.08
COC1=CC=CC2=C(NCCCCCCCC(=O)[O-])C=C(C)[NH+]=C12	REAL300013351458	1	50	0.0	-57.48	392.77	9.61	-47.87
CCOC(=O)C1=C(NCCCCCCCC(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013351459	1	58	0.0	-65.66	453.07	12.74	-52.92
CCC1=[NH+]C2=CC=CC=C2C(NCCCCCCCC(=O)[O-])=C1	REAL300013351470	0	49	0.0	-58.10	385.86	10.92	-47.18
O=C([O-])CCCCCCCNC1=CC(C(F)(F)F)=CC=[NH+]1	REAL300013351474	1	40	0.0	-67.87	339.04	9.26	-58.61
CC(C)C1=[NH+]C(NCCCCCCCC(=O)[O-])=NC(N(C)C)=N1	REAL300013351484	1	52	0.0	-58.15	407.07	13.93	-44.22
CC(C)C1=NC(NCCCCCCCC(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013351484	1	52	0.0	-58.69	407.56	13.84	-44.85
O=C([O-])CCCCCCCNC1=CC=[NH+]C(N2CCCCC2)=N1	REAL300013351490	0	51	0.0	-63.18	390.83	10.93	-52.25
CCC1=C(NCCCCCCCC(=O)[O-])C2=CC=CC=C2[NH+]=C1C	REAL300013351503	0	52	0.0	-59.64	399.94	11.42	-48.22
CC1=CC2=CC=CC=C2C(NCCCCCCCC(=O)[O-])=[NH+]1	REAL300013351505	0	46	0.0	-58.64	364.22	11.38	-47.26
O=C([O-])CCCCCCCNC1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013351511	0	55	0.0	-67.61	420.79	6.99	-60.62
O=C([O-])CCCCCCCNC1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013351511	1	55	0.0	-64.66	421.58	7.19	-57.47
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCCCCCCCC(=O)[O-])=C1	REAL300013351515	0	48	0.0	-70.81	392.48	10.85	-59.96
CC1=[NH+]C2=CC=CC=C2C(NCCCCCCCC(=O)[O-])=C1C	REAL300013351521	0	49	0.0	-59.80	380.72	10.71	-49.09
CC1=C2[NH+]=CC(C)=C(NCCCCCCCC(=O)[O-])C2=CC=C1	REAL300013351528	0	49	0.0	-61.39	376.15	10.74	-50.65
O=C([O-])CCCCCCCNC1=CC=[NH+]C=C1Br	REAL300013351530	1	37	0.0	-66.71	318.91	8.10	-58.61
CN1CCN(C2=CC(NCCCCCCCC(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013351531	0	52	0.0	-72.51	407.52	8.54	-63.97
CN1CCN(C2=CC(NCCCCCCCC(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013351531	1	52	0.0	-66.73	400.64	7.72	-59.01
CC(C)C1OCCCC1NC1=CC(NCCCCCCCC(=O)[O-])=[NH+]C=N1	REAL300013351542	0	61	0.0	-64.21	460.39	11.13	-53.08
CC(C)C1OCCCC1NC1=CC(NCCCCCCCC(=O)[O-])=NC=[NH+]1	REAL300013351542	1	61	0.0	-63.81	459.15	11.30	-52.51
CCOC(=O)C1=C[NH+]=CC=C1NCCCCCCCC(=O)[O-]	REAL300013351544	1	46	0.0	-71.40	371.81	9.21	-62.19
COC1=CC=CC2=C(NCCCCCCCC(=O)[O-])C(C)=C[NH+]=C12	REAL300013351553	1	50	0.0	-60.57	392.46	9.64	-50.93
O=C([O-])CCCCCCCNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013351566	0	54	0.0	-67.23	431.89	12.46	-54.77
CCCCNC1=CC(NCCCCCCCC(=O)[O-])=NC(N)=[NH+]1	REAL300013351581	0	52	0.0	-61.15	409.58	9.50	-51.65
CCCCNC1=CC(NCCCCCCCC(=O)[O-])=[NH+]C(N)=N1	REAL300013351581	1	52	0.0	-59.88	409.58	9.50	-50.38
O=C([O-])CCCCCCCNC1=CC=[NH+]C=C1Br	REAL300013351589	1	37	0.0	-66.71	318.91	8.10	-58.61
CC(C)NC1=NC(NCCO)=[NH+]C(NCCCCCCCC(=O)[O-])=N1	REAL300013351594	0	55	0.0	-59.89	437.11	10.29	-49.60
CC(C)NC1=NC(NCCO)=NC(NCCCCCCCC(=O)[O-])=[NH+]1	REAL300013351594	1	55	0.0	-59.10	436.46	10.25	-48.85
CC(C)NC1=[NH+]C(NCCO)=NC(NCCCCCCCC(=O)[O-])=N1	REAL300013351594	1	55	0.0	-60.07	436.41	10.26	-49.81
O=C([O-])CCCCCCCNC1=CC(C(F)(F)F)=CC=[NH+]1	REAL300013351604	1	40	0.0	-67.87	339.04	9.26	-58.61
CCNC1=[NH+]C(NCCCCCCCC(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013351609	0	57	0.0	-58.13	438.30	14.52	-43.61
CCNC1=NC(NCCCCCCCC(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013351609	1	57	0.0	-58.56	439.91	14.58	-43.98
CCNC1=NC(NCCCCCCCC(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013351609	1	57	0.0	-57.84	440.34	14.59	-43.25
CN(C1=CC=CC=C1)C1=CC(NCCCCCCCC(=O)[O-])=[NH+]C=N1	REAL300013351631	1	51	0.0	-67.14	408.35	12.31	-54.83
O=C([O-])CCCCCCCNC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12	REAL300013351656	1	43	0.0	-68.13	365.64	10.17	-57.96
CC(O)C1CCN(C2=CC(NCCCCCCCC(=O)[O-])=[NH+]C=N2)C1	REAL300013351657	0	55	0.0	-65.65	419.97	8.16	-57.49
CC(O)C1CCN(C2=CC(NCCCCCCCC(=O)[O-])=NC=[NH+]2)C1	REAL300013351657	1	55	0.0	-64.66	420.87	7.45	-57.21
O=C([O-])CCCCCCCNC1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2	REAL300013351659	1	46	0.0	-65.40	369.31	11.51	-53.89
CCCC1=CC2=C(NCCCCCCCC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013351663	0	52	0.0	-62.12	407.48	11.81	-50.31
CCC1=CC2=C(NCCCCCCCC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013351664	0	49	0.0	-62.02	385.99	11.03	-50.99
CC(C)OC1=CC2=C(NCCCCCCCC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013351667	0	53	0.0	-64.69	412.27	10.47	-54.22
CC1=CC(NCCCCCCCC(=O)[O-])=[NH+]C2=CC=CC=C12	REAL300013351703	1	46	0.0	-58.29	363.67	10.92	-47.37
CC1=[NH+]C2=CC=CC=C2C(NCCCCCCCC(=O)[O-])=C1	REAL300013351728	0	46	0.0	-58.88	364.44	10.18	-48.70
CC1=CC(NCCCCCCCC(=O)[O-])=NC(C2=CC=CN=C2)=[NH+]1	REAL300013351771	1	48	0.0	-62.80	388.49	10.03	-52.77
CCC1=CC(NCCCCCCCC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013351773	1	54	0.0	-70.41	443.12	13.23	-57.18
O=C([O-])CCCCCCCNC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013351796	1	43	0.0	-65.67	364.40	10.23	-55.44
O=C([O-])CCCCCCCNC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013351802	1	43	0.0	-60.62	361.76	10.31	-50.31
CCOC1=CC2=[NH+]C=CC(NCCCCCCCC(=O)[O-])=C2C=C1OCC	REAL300013351816	0	57	0.0	-66.38	445.24	10.70	-55.68
CCC1=CC(NCCCCCCCC(=O)[O-])=NC(C2=CC=NC=C2)=[NH+]1	REAL300013351818	1	51	0.0	-64.05	410.11	10.78	-53.27
CC1=[NH+]C(C2=CC=NC=C2)=NC(NCCCCCCCC(=O)[O-])=C1C	REAL300013351819	1	51	0.0	-63.96	404.43	10.95	-53.01
O=C([O-])CCCCCCCNC1=[NH+]C=CC(N2CCCC2)=N1	REAL300013351830	0	48	0.0	-64.28	373.98	10.51	-53.77
O=C([O-])CCCCCCCNC1=CC=[NH+]C2=CC(F)=CC=C12	REAL300013351851	0	43	0.0	-64.27	349.53	9.68	-54.59
COC1=CC2=[NH+]C=CC(NCCCCCCCC(=O)[O-])=C2C=C1Br	REAL300013351865	0	47	0.0	-67.19	392.88	9.58	-57.61
O=C([O-])CCCCCCCNC1=[NH+]C=CC2=CC(F)=CC=C21	REAL300013351868	1	43	0.0	-64.49	349.35	10.88	-53.61
CC1=CC2=C(NCCCCCCCC(=O)[O-])[NH+]=CC=C2C=C1	REAL300013351869	1	46	0.0	-60.88	364.30	11.47	-49.41
CC1=CC=CC2=C(NCCCCCCCC(=O)[O-])[NH+]=CC=C12	REAL300013351870	1	46	0.0	-61.08	360.88	11.35	-49.73
CC1(C)CCCN(C2=CC=[NH+]C(NCCCCCCCC(=O)[O-])=N2)C1	REAL300013351878	0	57	0.0	-64.39	427.34	12.63	-51.76
CC1=CC2=C(NCCCCCCCC(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013351883	0	56	0.0	-60.16	430.92	12.67	-47.49
CC1=CC(C(F)(F)F)=CC(NCCCCCCCC(=O)[O-])=[NH+]1	REAL300013351886	0	43	0.0	-63.73	360.19	9.82	-53.91
O=C([O-])CCCCCCCNC1=CC(NC2=CC=CC=C2)=NC=[NH+]1	REAL300013351888	1	48	0.0	-64.07	385.03	11.25	-52.82
O=C([O-])CCCCCCCNC1=CC(NC2=CC=CC=C2)=[NH+]C=N1	REAL300013351888	1	48	0.0	-64.97	385.08	11.24	-53.73
COC1=CC2=[NH+]C=CC(NCCCCCCCC(=O)[O-])=C2C=C1OC	REAL300013351892	0	51	0.0	-66.50	401.54	8.86	-57.64
O=C([O-])CCCCCCCNC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013351930	0	52	0.0	-67.53	412.97	12.42	-55.11
CC1=CC=C2C(NCCCCCCCC(=O)[O-])=CC(C)=[NH+]C2=C1Cl	REAL300013351960	0	49	0.0	-57.70	397.46	11.34	-46.36
CC1=NC(NCCCCCCCC(=O)[O-])=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013351962	0	51	0.0	-59.64	407.03	11.60	-48.04
CC1=[NH+]C(NCCCCCCCC(=O)[O-])=CC(NC2=CC=CC=C2)=N1	REAL300013351962	1	51	0.0	-62.17	408.68	11.99	-50.18
CC1=[NH+]C=CC(NCCCCCCCC(=O)[O-])=C1Br	REAL300013351965	0	40	0.0	-64.70	337.08	8.59	-56.11
CN(C1=CC=[NH+]C(NCCCCCCCC(=O)[O-])=N1)C1CCCCC1	REAL300013351967	0	57	0.0	-62.60	429.09	13.71	-48.89
CC1=CC(N(C)C(C)C)=NC(NCCCCCCCC(=O)[O-])=[NH+]1	REAL300013351968	0	53	0.0	-59.27	408.39	12.43	-46.84
O=C([O-])CCCCCCCNC1=[NH+]C=CC(N2C=CN=C2)=N1	REAL300013351969	1	43	0.0	-74.89	353.24	12.29	-62.60
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCCCCCCCC(=O)[O-])=[NH+]1	REAL300013351972	0	54	0.0	-58.63	432.30	14.49	-44.14
CC1=CC(N2C=CC=N2)=NC(NCCCCCCCC(=O)[O-])=[NH+]1	REAL300013351973	1	46	0.0	-63.41	377.27	11.65	-51.76
CC1=CC(NCCCCCCCC(=O)[O-])=NC(N(C)C(C)C)=[NH+]1	REAL300013351976	0	53	0.0	-59.37	408.51	12.55	-46.82
CN(C1=[NH+]C=CC(NCCCCCCCC(=O)[O-])=N1)C1CCCCC1	REAL300013351979	0	57	0.0	-62.92	428.63	13.85	-49.07
CC1=CC(NCCCCCCCC(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013351981	1	54	0.0	-61.47	430.39	14.51	-46.96
CC1=CC=CC2=CC=[NH+]C(NCCCCCCCC(=O)[O-])=C12	REAL300013352004	0	46	0.0	-60.14	357.19	11.84	-48.30
O=C([O-])CCCCCCCNC1=C2C=CNC2=NC(C2CC2)=[NH+]1	REAL300013352029	0	47	0.0	-59.71	376.24	10.86	-48.85
O=C([O-])CCCCCCCNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013352030	0	47	0.0	-65.32	389.03	9.41	-55.91
CN(C)C1=CC(NCCCCCCCC(=O)[O-])=[NH+]C(N(C)C)=N1	REAL300013352035	0	52	0.0	-57.53	402.56	12.14	-45.39
CN(C)C1=CC(NCCCCCCCC(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013352035	1	52	0.0	-58.32	402.42	11.82	-46.50
CC1=C(Cl)C2=[NH+]C=CC(NCCCCCCCC(=O)[O-])=C2C=C1	REAL300013352043	1	46	0.0	-60.53	376.16	10.76	-49.77
CC1=CC=[NH+]C(NCCCCCCC(=O)[O-])=C1Br	REAL300013352054	1	37	0.0	-61.57	315.54	8.92	-52.65
CC1=[NH+]C2=CC=C(F)C=C2C(NCCCCCCC(=O)[O-])=C1	REAL300013352055	0	43	0.0	-60.37	349.34	9.47	-50.90
O=C([O-])CCCCCCNC1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013352061	0	46	0.0	-66.04	368.71	9.63	-56.41
O=C([O-])CCCCCCNC1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013352061	1	46	0.0	-65.01	367.74	9.21	-55.80
O=C([O-])CCCCCCNC1=CC(N2CCCCC2)=NC=[NH+]1	REAL300013352075	0	48	0.0	-62.72	369.39	9.75	-52.97
O=C([O-])CCCCCCNC1=CC(N2CCCCC2)=[NH+]C=N1	REAL300013352075	1	48	0.0	-61.39	367.03	9.59	-51.80
O=C([O-])CCCCCCNC1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013352076	0	52	0.0	-65.83	401.05	7.03	-58.80
O=C([O-])CCCCCCNC1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013352076	1	52	0.0	-65.31	398.69	6.88	-58.43
CCCC1=[NH+]C2=CC=CC=C2C(NCCCCCCC(=O)[O-])=C1	REAL300013352077	0	49	0.0	-56.61	385.86	10.92	-45.69
COC1=CC=C(NC2=CC(NCCCCCCC(=O)[O-])=[NH+]C=N2)C(OC)=C1	REAL300013352080	1	53	0.0	-67.32	422.24	10.16	-57.16
COC1=CC2=NC(NCCCCCCC(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013352103	0	49	0.0	-65.01	389.94	8.27	-56.74
O=C([O-])CCCCCCNC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12	REAL300013352112	0	43	0.0	-64.38	360.17	9.83	-54.55
O=C([O-])CCCCCCNC1=CC=[NH+]C2=CC=C(Cl)C=C12	REAL300013352121	1	40	0.0	-63.40	338.35	9.34	-54.06
CC(C)(C)C1=CC(NCCCCCCC(=O)[O-])=NC(C(C)(C)C)=[NH+]1	REAL300013352123	1	57	0.0	-55.24	430.24	11.57	-43.67
O=C([O-])CCCCCCNC1=CC(N2CCOCC2)=NC=[NH+]1	REAL300013352130	0	46	0.0	-65.02	360.48	7.29	-57.73
O=C([O-])CCCCCCNC1=CC(N2CCOCC2)=[NH+]C=N1	REAL300013352130	1	46	0.0	-63.45	358.12	7.15	-56.30
CC1=CC(NCCCCCCC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013352135	1	48	0.0	-69.02	400.19	11.72	-57.30
CC1=CC2=[NH+]C(NCCCCCCC(=O)[O-])=CC(C)=C2C=C1	REAL300013352146	1	46	0.0	-56.30	363.52	10.79	-45.51
O=C([O-])CCCCCCNC1=CC=[NH+]C2=CC(Cl)=CC=C12	REAL300013352163	1	40	0.0	-62.11	338.33	9.33	-52.78
O=C([O-])CCCCCCNC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013352172	1	40	0.0	-62.26	342.89	9.44	-52.82
CC1=[NH+]C2=CC=C(Br)C=C2C(NCCCCCCC(=O)[O-])=C1C	REAL300013352198	0	46	0.0	-61.56	381.16	10.57	-50.99
NC1=[NH+]C(NCCCCCCC(=O)[O-])=CC(N2C=CC=N2)=N1	REAL300013352224	0	42	0.0	-64.00	349.32	8.96	-55.04
O=C([O-])CCCCCCNC1=[NH+]C=CC(N2CCOCC2)=N1	REAL300013352227	0	46	0.0	-64.15	360.45	8.03	-56.12
COC1=CC=CC2=C(NCCCCCCC(=O)[O-])C=C(C)[NH+]=C12	REAL300013352232	1	47	0.0	-55.75	371.27	8.83	-46.92
CCOC(=O)C1=C(NCCCCCCC(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013352233	1	52	0.0	-69.68	423.20	9.33	-60.35
CCOC(=O)C1=C(NCCCCCCC(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013352234	1	55	0.0	-64.07	431.57	11.96	-52.11
CCC1=[NH+]C2=CC=CC=C2C(NCCCCCCC(=O)[O-])=C1	REAL300013352239	0	46	0.0	-56.48	364.36	10.14	-46.34
CC(C)C1=[NH+]C(NCCCCCCC(=O)[O-])=NC(N(C)C)=N1	REAL300013352247	1	49	0.0	-55.64	385.57	13.15	-42.49
CC(C)C1=NC(NCCCCCCC(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013352247	1	49	0.0	-57.23	385.15	13.13	-44.10
O=C([O-])CCCCCCNC1=CC=[NH+]C(N2CCCCC2)=N1	REAL300013352253	0	48	0.0	-60.96	369.33	10.15	-50.81
CCC1=C(NCCCCCCC(=O)[O-])C2=CC=CC=C2[NH+]=C1C	REAL300013352263	0	49	0.0	-58.22	378.45	10.64	-47.58
O=C([O-])CCCCCCNC1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013352269	0	52	0.0	-66.26	399.30	6.21	-60.05
O=C([O-])CCCCCCNC1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013352269	1	52	0.0	-63.60	400.09	6.41	-57.19
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCCCCCCC(=O)[O-])=C1	REAL300013352274	0	45	0.0	-68.31	370.99	10.07	-58.24
CC1=[NH+]C2=CC=CC=C2C(NCCCCCCC(=O)[O-])=C1C	REAL300013352278	0	46	0.0	-58.53	359.34	9.93	-48.60
CC1=C2[NH+]=CC(C)=C(NCCCCCCC(=O)[O-])C2=CC=C1	REAL300013352285	0	46	0.0	-59.67	354.65	9.96	-49.71
O=C([O-])CCCCCCNC1=CC=[NH+]C=C1Br	REAL300013352287	1	34	0.0	-64.58	297.41	7.32	-57.26
CN1CCN(C2=CC(NCCCCCCC(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013352288	0	49	0.0	-72.19	386.02	7.76	-64.43
CN1CCN(C2=CC(NCCCCCCC(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013352288	1	49	0.0	-64.15	379.14	6.94	-57.21
CC(C)C1OCCCC1NC1=CC(NCCCCCCC(=O)[O-])=[NH+]C=N1	REAL300013352299	0	58	0.0	-62.08	437.70	10.52	-51.56
CC(C)C1OCCCC1NC1=CC(NCCCCCCC(=O)[O-])=NC=[NH+]1	REAL300013352299	1	58	0.0	-61.74	437.66	10.52	-51.22
COC1=CC=CC2=C(NCCCCCCC(=O)[O-])C(C)=C[NH+]=C12	REAL300013352309	1	47	0.0	-59.28	370.97	8.86	-50.42
O=C([O-])CCCCCCNC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013352319	0	51	0.0	-64.90	410.39	11.68	-53.22
O=C([O-])CCCCCCNC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013352325	1	47	0.0	-55.12	389.80	11.77	-43.35
CCCCNC1=CC(NCCCCCCC(=O)[O-])=NC(N)=[NH+]1	REAL300013352332	0	49	0.0	-59.10	388.08	8.72	-50.38
CCCCNC1=CC(NCCCCCCC(=O)[O-])=[NH+]C(N)=N1	REAL300013352332	1	49	0.0	-58.47	388.08	8.72	-49.75
O=C([O-])CCCCCCNC1=CC=[NH+]C=C1Br	REAL300013352339	1	34	0.0	-64.58	297.41	7.32	-57.26
CC(C)NC1=NC(NCCO)=[NH+]C(NCCCCCCC(=O)[O-])=N1	REAL300013352344	0	52	0.0	-57.12	415.62	9.51	-47.61
CC(C)NC1=NC(NCCO)=NC(NCCCCCCC(=O)[O-])=[NH+]1	REAL300013352344	1	52	0.0	-56.40	414.96	9.47	-46.93
CC(C)NC1=[NH+]C(NCCO)=NC(NCCCCCCC(=O)[O-])=N1	REAL300013352344	1	52	0.0	-59.01	415.01	9.48	-49.53
CCNC1=[NH+]C(NCCCCCCC(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013352357	0	54	0.0	-55.30	416.80	13.74	-41.56
CCNC1=NC(NCCCCCCC(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013352357	1	54	0.0	-57.51	418.41	13.80	-43.71
CCNC1=NC(NCCCCCCC(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013352357	1	54	0.0	-55.37	418.85	13.80	-41.57
CN(C1=CC=CC=C1)C1=CC(NCCCCCCC(=O)[O-])=[NH+]C=N1	REAL300013352372	1	48	0.0	-66.42	386.85	11.53	-54.89
O=C([O-])CCCCCCNC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12	REAL300013352396	1	40	0.0	-65.80	344.14	9.39	-56.41
CC(O)C1CCN(C2=CC(NCCCCCCC(=O)[O-])=[NH+]C=N2)C1	REAL300013352397	0	52	0.0	-64.72	400.80	7.25	-57.47
CC(O)C1CCN(C2=CC(NCCCCCCC(=O)[O-])=NC=[NH+]2)C1	REAL300013352397	1	52	0.0	-63.41	399.34	6.68	-56.73
O=C([O-])CCCCCCNC1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2	REAL300013352399	1	43	0.0	-62.89	347.81	10.73	-52.16
CCCC1=CC2=C(NCCCCCCC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013352402	0	49	0.0	-60.27	385.98	11.03	-49.24
CCC1=CC2=C(NCCCCCCC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013352403	0	46	0.0	-60.17	364.49	10.25	-49.92
CC(C)OC1=CC2=C(NCCCCCCC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013352405	0	50	0.0	-62.61	390.78	9.69	-52.92
CC1=CC(NCCCCCCC(=O)[O-])=NC(C2=CC=CN=C2)=[NH+]1	REAL300013352500	1	45	0.0	-60.63	367.00	9.25	-51.38
CCC1=CC(NCCCCCCC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013352501	1	51	0.0	-67.95	421.62	12.45	-55.50
O=C([O-])CCCCCCNC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013352522	1	40	0.0	-63.52	342.91	9.45	-54.07
O=C([O-])CCCCCCNC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013352529	1	40	0.0	-58.95	340.26	9.53	-49.42
CCOC1=CC2=[NH+]C=CC(NCCCCCCC(=O)[O-])=C2C=C1OCC	REAL300013352540	0	54	0.0	-64.43	423.74	9.92	-54.51
CCC1=CC(NCCCCCCC(=O)[O-])=NC(C2=CC=NC=C2)=[NH+]1	REAL300013352542	1	48	0.0	-61.78	388.61	10.00	-51.78
COC1=CC2=[NH+]C=CC(NCCCCCCC(=O)[O-])=C2C=C1Br	REAL300013352579	0	44	0.0	-64.97	371.38	8.80	-56.17
CC1(C)CCCN(C2=CC=[NH+]C(NCCCCCCC(=O)[O-])=N2)C1	REAL300013352588	0	54	0.0	-61.64	405.84	11.85	-49.79
CC1=CC2=C(NCCCCCCC(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013352593	0	53	0.0	-58.84	409.42	11.89	-46.95
CC1=CC(C(F)(F)F)=CC(NCCCCCCC(=O)[O-])=[NH+]1	REAL300013352596	0	40	0.0	-63.05	338.69	9.04	-54.01
O=C([O-])CCCCCCNC1=CC(NC2=CC=CC=C2)=NC=[NH+]1	REAL300013352598	1	45	0.0	-63.18	363.54	10.47	-52.71
O=C([O-])CCCCCCNC1=CC(NC2=CC=CC=C2)=[NH+]C=N1	REAL300013352598	1	45	0.0	-63.48	363.58	10.46	-53.02
COC1=CC2=[NH+]C=CC(NCCCCCCC(=O)[O-])=C2C=C1OC	REAL300013352601	0	48	0.0	-64.53	380.03	8.08	-56.45
O=C([O-])CCCCCCNC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013352630	0	49	0.0	-64.63	391.47	11.64	-52.99
CC1=CC=C2C(NCCCCCCC(=O)[O-])=CC(C)=[NH+]C2=C1Cl	REAL300013352655	0	46	0.0	-56.03	375.96	10.56	-45.47
CC1=NC(NCCCCCCC(=O)[O-])=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013352657	0	48	0.0	-57.79	385.53	10.82	-46.97
CC1=[NH+]C(NCCCCCCC(=O)[O-])=CC(NC2=CC=CC=C2)=N1	REAL300013352657	1	48	0.0	-60.91	387.18	11.21	-49.70
CC1=[NH+]C=CC(NCCCCCCC(=O)[O-])=C1Br	REAL300013352660	0	37	0.0	-62.52	315.58	7.81	-54.71
CN(C1=CC=[NH+]C(NCCCCCCC(=O)[O-])=N1)C1CCCCC1	REAL300013352662	0	54	0.0	-59.96	407.59	12.93	-47.03
CC1=CC(N(C)C(C)C)=NC(NCCCCCCC(=O)[O-])=[NH+]1	REAL300013352663	0	50	0.0	-56.77	386.89	11.65	-45.12
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCCCCCCC(=O)[O-])=[NH+]1	REAL300013352666	0	51	0.0	-56.20	410.81	13.71	-42.49
CC1=CC(N2C=CC=N2)=NC(NCCCCCCC(=O)[O-])=[NH+]1	REAL300013352667	1	43	0.0	-60.77	355.77	10.87	-49.90
CC1=CC(NCCCCCCC(=O)[O-])=NC(N(C)C(C)C)=[NH+]1	REAL300013352670	0	50	0.0	-57.35	387.01	11.77	-45.58
CN(C1=[NH+]C=CC(NCCCCCCC(=O)[O-])=N1)C1CCCCC1	REAL300013352673	0	54	0.0	-60.74	407.13	13.06	-47.68
CC1=CC(NCCCCCCC(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013352675	1	51	0.0	-59.23	408.89	13.73	-45.50
O=C([O-])CCCCCCNC1=C2C=CNC2=NC(C2CC2)=[NH+]1	REAL300013352718	0	44	0.0	-57.62	354.74	10.08	-47.54
O=C([O-])CCCCCCNC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013352719	0	44	0.0	-63.29	367.53	8.63	-54.66
CN(C)C1=CC(NCCCCCCC(=O)[O-])=[NH+]C(N(C)C)=N1	REAL300013352723	0	49	0.0	-56.22	380.56	11.36	-44.86
CN(C)C1=CC(NCCCCCCC(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013352723	1	49	0.0	-56.21	379.90	11.15	-45.06
CC1=C(Cl)C2=[NH+]C=CC(NCCCCCCC(=O)[O-])=C2C=C1	REAL300013352730	1	43	0.0	-58.76	354.66	9.98	-48.78
CCOC(=O)C1(CC(C)C)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013352732	0	50	0.0	-53.58	367.89	10.58	-43.00
CN(C)C1=NOC(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013352740	0	42	0.0	-57.45	338.65	8.49	-48.96
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(OCCC(F)(F)F)C1	REAL300013352746	0	39	0.0	-49.81	324.54	8.16	-41.65
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OC2=CC=C(F)C=C2)CC1	REAL300013352770	0	40	0.0	-54.77	323.18	9.49	-45.28
O=C([O-])C1=CC=C[NH+]=C1N1CCC(O)(C2CCCCC2)CC1	REAL300013352778	0	46	0.0	-49.10	328.30	7.53	-41.57
CC1=CC=CC(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1C	REAL300013352801	0	45	0.0	-52.71	342.45	11.54	-41.17
CN(CCCC(=O)[O-])C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013352813	0	46	0.0	-52.23	353.65	6.66	-45.57
CN(CCCC(=O)[O-])C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013352813	1	46	0.0	-59.40	353.28	6.63	-52.77
COC1=CC2=NC(N(C)CCCC(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013352829	0	43	0.0	-62.24	344.76	8.08	-54.16
CN(CCCC(=O)[O-])C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013352834	0	37	0.0	-64.51	315.24	8.34	-56.17
CN(CCCC(=O)[O-])C1=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N1	REAL300013352838	1	51	0.0	-47.26	385.33	11.26	-36.00
CC1=CC(N(C)CCCC(=O)[O-])=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013352845	1	42	0.0	-59.72	354.81	11.44	-48.28
CN(CCCC(=O)[O-])C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013352870	1	34	0.0	-62.14	297.59	7.95	-54.19
CC1=[NH+]C2=CC=C(Br)C=C2C(N(C)CCCC(=O)[O-])=C1C	REAL300013352890	0	40	0.0	-59.15	326.26	8.85	-50.30
CCOC(=O)C1=C(N(C)CCCC(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013352913	1	46	0.0	-70.16	368.40	7.89	-62.27
CCOC(=O)C1=C(N(C)CCCC(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013352914	1	49	0.0	-64.28	377.11	10.57	-53.71
CN(CCCC(=O)[O-])C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013352929	0	46	0.0	-52.81	351.96	5.83	-46.98
CN(CCCC(=O)[O-])C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013352929	1	46	0.0	-56.19	354.71	6.15	-50.04
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N(C)CCCC(=O)[O-])=C1	REAL300013352933	0	39	0.0	-71.11	325.40	8.57	-62.54
CN(CCCC(=O)[O-])C1=[NH+]C=NC(N2CCN(C)C(=O)C2)=C1	REAL300013352940	0	43	0.0	-57.54	338.66	7.37	-50.17
CN(CCCC(=O)[O-])C1=NC=[NH+]C(N2CCN(C)C(=O)C2)=C1	REAL300013352940	1	43	0.0	-66.35	338.36	7.31	-59.04
CC(C)C1OCCCC1NC1=CC(N(C)CCCC(=O)[O-])=NC=[NH+]1	REAL300013352946	0	52	0.0	-54.15	392.29	10.25	-43.90
CC(C)C1OCCCC1NC1=CC(N(C)CCCC(=O)[O-])=[NH+]C=N1	REAL300013352946	1	52	0.0	-50.45	391.64	9.97	-40.48
CN(CCCC(=O)[O-])C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013352958	0	45	0.0	-68.38	364.81	10.19	-58.19
CN(CCCC(=O)[O-])C1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013352964	1	41	0.0	-49.52	344.21	10.27	-39.25
CC(C)NC1=[NH+]C(NCCO)=NC(N(C)CCCC(=O)[O-])=N1	REAL300013352977	0	46	0.0	-52.25	370.30	9.28	-42.97
CC(C)NC1=NC(NCCO)=[NH+]C(N(C)CCCC(=O)[O-])=N1	REAL300013352977	1	46	0.0	-51.73	370.48	9.26	-42.47
CC(C)NC1=NC(NCCO)=NC(N(C)CCCC(=O)[O-])=[NH+]1	REAL300013352977	1	46	0.0	-50.72	369.83	9.25	-41.47
CCNC1=[NH+]C(NC(C)(C)C)=NC(N(C)CCCC(=O)[O-])=N1	REAL300013352984	0	48	0.0	-51.05	372.14	13.54	-37.51
CCNC1=NC(NC(C)(C)C)=NC(N(C)CCCC(=O)[O-])=[NH+]1	REAL300013352984	1	48	0.0	-50.17	371.67	13.48	-36.69
CCNC1=NC(NC(C)(C)C)=[NH+]C(N(C)CCCC(=O)[O-])=N1	REAL300013352984	1	48	0.0	-48.16	368.99	13.17	-34.99
CC(O)C1CCN(C2=CC(N(C)CCCC(=O)[O-])=[NH+]C=N2)C1	REAL300013353008	0	46	0.0	-51.33	351.12	7.00	-44.33
CC(O)C1CCN(C2=CC(N(C)CCCC(=O)[O-])=NC=[NH+]2)C1	REAL300013353008	1	46	0.0	-56.87	354.00	6.44	-50.43
CC(C)OC1=CC2=C(N(C)CCCC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013353011	0	44	0.0	-66.38	345.17	8.19	-58.19
CCOC(=O)C1=C(C)C2=C(N(C)CCCC(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013353043	1	53	0.0	-68.44	431.14	10.94	-57.50
CN(CCCC(=O)[O-])C1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-]	REAL300013353047	0	50	0.0	-87.93	413.88	6.24	-81.69
CN(CCCC(=O)[O-])C1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1	REAL300013353112	1	51	0.0	-64.23	407.80	12.43	-51.80
CN(CCCC(=O)[O-])C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013353113	1	34	0.0	-65.79	297.32	7.95	-57.84
CCOC1=CC2=[NH+]C=CC(N(C)CCCC(=O)[O-])=C2C=C1OCC	REAL300013353126	0	48	0.0	-64.08	378.16	8.42	-55.66
CCC1=CC(N(C)CCCC(=O)[O-])=NC(C2=CC=NC=C2)=[NH+]1	REAL300013353127	1	42	0.0	-52.19	343.69	9.70	-42.49
COC1=CC2=[NH+]C=CC(N(C)CCCC(=O)[O-])=C2C=C1Br	REAL300013353155	0	38	0.0	-66.47	325.80	7.33	-59.14
CN(CCCC(=O)[O-])C1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1	REAL300013353162	0	48	0.0	-58.04	360.67	11.63	-46.41
CC1=CC2=C(N(C)CCCC(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013353166	0	47	0.0	-54.98	355.97	10.27	-44.71
COC1=CC2=[NH+]C=CC(N(C)CCCC(=O)[O-])=C2C=C1OC	REAL300013353170	0	42	0.0	-64.11	334.46	6.58	-57.53
CN(CCCC(=O)[O-])C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013353184	0	43	0.0	-61.95	346.33	11.41	-50.54
CC1=CC=C2C(N(C)CCCC(=O)[O-])=CC(C)=[NH+]C2=C1Cl	REAL300013353194	0	40	0.0	-52.10	330.66	9.08	-43.02
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N(C)CCCC(=O)[O-])=N1	REAL300013353197	0	42	0.0	-51.84	340.15	10.56	-41.28
CC1=NC(NC2=CC=CC=C2)=CC(N(C)CCCC(=O)[O-])=[NH+]1	REAL300013353197	1	42	0.0	-49.02	339.84	10.82	-38.20
CN(CCCC(=O)[O-])C1=[NH+]C=CC(N(C)C2CCCCC2)=N1	REAL300013353201	0	48	0.0	-56.28	362.44	12.72	-43.56
CC1=CC(N(C)C2=CC=CC=C2)=NC(N(C)CCCC(=O)[O-])=[NH+]1	REAL300013353203	0	45	0.0	-57.62	363.20	12.61	-45.01
CN(CCCC(=O)[O-])C1=CC=[NH+]C(N(C)C2CCCCC2)=N1	REAL300013353205	0	48	0.0	-53.76	361.62	12.78	-40.98
CC1=CC(N(C)CCCC(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013353207	1	45	0.0	-55.73	363.50	13.47	-42.26
CN(CCCC(=O)[O-])C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013353238	0	38	0.0	-63.60	322.24	7.16	-56.44
O=C([O-])C1=CC=C[NH+]=C1N1CCC(N2CCNS2(=O)=O)CC1	REAL300013353245	0	40	0.0	-53.67	325.19	2.66	-51.01
CCOC(=O)C1(C(=O)OCC)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013353251	0	47	0.0	-48.39	375.62	10.00	-38.39
CC[N@@H+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1(C)C	REAL300013353258	0	43	0.0	-93.75	318.93	8.99	-84.76
CC[N@H+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1(C)C	REAL300013353258	1	43	0.0	-95.28	318.95	8.98	-86.30
O=C([O-])C1CCCC1NC1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013353265	0	41	0.0	-39.87	320.70	8.70	-31.17
O=C([O-])C1CCCC1NC1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013353265	1	41	0.0	-51.54	327.81	7.75	-43.79
O=C([O-])C1CCCC1NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013353270	0	47	0.0	-51.10	358.05	5.77	-45.33
O=C([O-])C1CCCC1NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013353270	1	47	0.0	-42.59	351.58	5.87	-36.72
COC1=CC2=NC(NC3CCCC3C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013353287	0	44	0.0	-44.54	342.71	7.00	-37.54
O=C([O-])C1CCCC1NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12	REAL300013353294	0	38	0.0	-50.79	314.89	8.58	-42.21
O=C([O-])C1CCCC1NC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013353337	1	35	0.0	-49.04	297.61	8.18	-40.86
CC1=[NH+]C2=CC=C(Br)C=C2C(NC2CCCC2C(=O)[O-])=C1C	REAL300013353359	0	41	0.0	-56.91	326.28	8.71	-48.20
COC1=CC=CC2=C(NC3CCCC3C(=O)[O-])C=C(C)[NH+]=C12	REAL300013353385	1	42	0.0	-43.78	328.30	7.56	-36.22
CCOC(=O)C1=C(NC2CCCC2C(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013353386	1	47	0.0	-50.17	371.38	7.56	-42.61
CCOC(=O)C1=C(NC2CCCC2C(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013353387	1	50	0.0	-65.70	375.76	10.26	-55.44
O=C([O-])C1CCCC1NC1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013353406	0	47	0.0	-49.10	356.49	4.93	-44.17
O=C([O-])C1CCCC1NC1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013353406	1	47	0.0	-47.70	352.37	5.57	-42.13
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NC2CCCC2C(=O)[O-])=C1	REAL300013353410	0	40	0.0	-55.94	327.11	8.84	-47.10
CN1CCN(C2=CC(NC3CCCC3C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013353418	0	44	0.0	-59.11	340.73	6.49	-52.62
CN1CCN(C2=CC(NC3CCCC3C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013353418	1	44	0.0	-50.48	331.57	6.13	-44.35
COC1=CC=CC2=C(NC3CCCC3C(=O)[O-])C(C)=C[NH+]=C12	REAL300013353434	1	42	0.0	-48.31	315.70	7.17	-41.14
O=C([O-])C1CCCC1NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013353444	0	46	0.0	-59.10	363.92	10.79	-48.31
O=C([O-])C1CCCC1NC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013353450	1	42	0.0	-41.57	344.51	10.52	-31.05
CC(C)NC1=[NH+]C(NCCO)=NC(NC2CCCC2C(=O)[O-])=N1	REAL300013353465	0	47	0.0	-42.47	368.28	8.44	-34.03
CC(C)NC1=NC(NCCO)=[NH+]C(NC2CCCC2C(=O)[O-])=N1	REAL300013353465	1	47	0.0	-38.26	371.81	8.34	-29.92
CC(C)NC1=NC(NCCO)=NC(NC2CCCC2C(=O)[O-])=[NH+]1	REAL300013353465	1	47	0.0	-37.89	367.77	8.31	-29.58
CCNC1=[NH+]C(NC2CCCC2C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013353475	0	49	0.0	-34.79	369.56	12.56	-22.23
CCNC1=NC(NC2CCCC2C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013353475	1	49	0.0	-42.47	367.48	12.89	-29.58
CCNC1=NC(NC2CCCC2C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013353475	1	49	0.0	-36.27	372.25	13.17	-23.10
CN(C1=CC=CC=C1)C1=CC(NC2CCCC2C(=O)[O-])=[NH+]C=N1	REAL300013353486	1	43	0.0	-51.37	345.46	11.20	-40.17
O=C([O-])C1CCCC1NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12	REAL300013353505	1	35	0.0	-51.17	300.19	8.16	-43.01
CC(O)C1CCN(C2=CC(NC3CCCC3C(=O)[O-])=[NH+]C=N2)C1	REAL300013353506	0	47	0.0	-35.30	355.91	6.03	-29.27
CC(O)C1CCN(C2=CC(NC3CCCC3C(=O)[O-])=NC=[NH+]2)C1	REAL300013353506	1	47	0.0	-47.00	353.47	6.00	-41.00
CC(C)OC1=CC2=C(NC3CCCC3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013353511	0	45	0.0	-59.05	342.74	8.75	-50.30
C[NH+](C)CC1=NC(NC2CCCC2C(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013353616	1	52	0.0	-60.06	413.93	12.98	-47.08
O=C([O-])C1CCCC1NC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013353617	1	35	0.0	-55.58	294.85	8.50	-47.08
O=C([O-])C1CCCC1NC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013353624	1	35	0.0	-40.89	292.77	8.87	-32.02
CCOC1=CC2=[NH+]C=CC(NC3CCCC3C(=O)[O-])=C2C=C1OCC	REAL300013353632	0	49	0.0	-54.01	375.69	8.97	-45.04
COC1=CC2=[NH+]C=CC(NC3CCCC3C(=O)[O-])=C2C=C1Br	REAL300013353665	0	39	0.0	-56.21	323.34	7.86	-48.35
CC1(C)CCCN(C2=CC=[NH+]C(NC3CCCC3C(=O)[O-])=N2)C1	REAL300013353673	0	49	0.0	-41.05	358.58	10.58	-30.47
CC1=CC2=C(NC3CCCC3C(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013353678	0	48	0.0	-48.22	360.02	10.76	-37.46
COC1=CC2=[NH+]C=CC(NC3CCCC3C(=O)[O-])=C2C=C1OC	REAL300013353683	0	43	0.0	-53.99	331.99	7.13	-46.86
O=C([O-])C1CCCC1NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013353702	0	44	0.0	-49.21	346.86	10.30	-38.91
CC1=CC=C2C(NC3CCCC3C(=O)[O-])=CC(C)=[NH+]C2=C1Cl	REAL300013353718	0	41	0.0	-42.33	332.99	9.29	-33.04
CC1=[NH+]C(NC2=CC=CC=C2)=CC(NC2CCCC2C(=O)[O-])=N1	REAL300013353721	1	43	0.0	-43.00	338.51	10.04	-32.96
CC1=NC(NC2=CC=CC=C2)=CC(NC2CCCC2C(=O)[O-])=[NH+]1	REAL300013353721	1	43	0.0	-34.82	336.89	9.47	-25.35
CN(C1=CC=[NH+]C(NC2CCCC2C(=O)[O-])=N1)C1CCCCC1	REAL300013353725	0	49	0.0	-44.07	361.86	11.84	-32.23
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC2CCCC2C(=O)[O-])=[NH+]1	REAL300013353728	0	46	0.0	-43.62	361.50	12.20	-31.42
CN(C1=[NH+]C=CC(NC2CCCC2C(=O)[O-])=N1)C1CCCCC1	REAL300013353731	0	49	0.0	-42.35	359.57	12.07	-30.28
O=C([O-])C1CCCC1NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013353767	0	39	0.0	-50.07	322.24	7.38	-42.69
CC1=C(Cl)C2=[NH+]C=CC(NC3CCCC3C(=O)[O-])=C2C=C1	REAL300013353773	1	38	0.0	-44.36	306.62	9.04	-35.32
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300013353780	0	41	0.0	-60.56	313.32	8.58	-51.98
CC1(C(=O)[O-])CCCN(C2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013353786	0	44	0.0	-49.19	334.34	8.87	-40.32
CC1(C(=O)[O-])CCCN(C2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013353786	1	44	0.0	-60.71	337.12	8.12	-52.59
CC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3)=[NH+]C=N2)C1	REAL300013353798	0	46	0.0	-59.10	336.39	8.51	-50.59
CC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3)=NC=[NH+]2)C1	REAL300013353798	1	46	0.0	-47.11	334.29	9.02	-38.09
CC1(C(=O)[O-])CCCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013353799	0	50	0.0	-49.66	366.62	6.31	-43.35
CC1(C(=O)[O-])CCCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013353799	1	50	0.0	-62.97	365.98	6.30	-56.67
CCCC1=[NH+]C2=CC=CC=C2C(N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300013353800	0	47	0.0	-50.82	350.61	10.02	-40.80
COC1=CC2=NC(N3CCCC(C)(C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013353824	0	47	0.0	-65.83	357.18	7.37	-58.46
CC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C1	REAL300013353831	0	41	0.0	-60.80	331.66	9.44	-51.36
CC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)C1	REAL300013353838	1	38	0.0	-64.42	302.34	8.46	-55.96
CC(C)(C)C1=[NH+]C(C(C)(C)C)=NC(N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300013353840	1	55	0.0	-55.22	397.56	10.94	-44.28
CC1(C(=O)[O-])CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013353847	0	44	0.0	-48.31	326.11	6.53	-41.78
CC1(C(=O)[O-])CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013353847	1	44	0.0	-60.48	327.48	6.06	-54.42
CC1=CC(N2CCCC(C)(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013353852	1	46	0.0	-70.95	368.18	11.08	-59.87
CC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)C1	REAL300013353876	1	38	0.0	-58.52	309.83	8.94	-49.58
CC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1	REAL300013353885	1	38	0.0	-58.65	314.38	9.04	-49.61
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCCC(C)(C(=O)[O-])C2)=C1C	REAL300013353911	0	44	0.0	-60.15	342.38	9.90	-50.25
CC1(C(=O)[O-])CCCN(C2=CC(N3C=CC=N3)=NC(N)=[NH+]2)C1	REAL300013353937	0	40	0.0	-53.48	318.78	7.87	-45.61
CC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N3CCOCC3)=N2)C1	REAL300013353940	0	44	0.0	-56.87	329.89	6.26	-50.61
COC1=CC=CC2=C(N3CCCC(C)(C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013353945	1	45	0.0	-51.16	335.24	7.93	-43.23
CCOC(=O)C1=C(N2CCCC(C)(C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013353946	1	50	0.0	-66.00	382.82	8.83	-57.17
CCOC(=O)C1=C(N2CCCC(C)(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013353947	1	53	0.0	-59.74	391.41	11.51	-48.23
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013353959	1	47	0.0	-51.55	352.45	12.07	-39.48
CC(C)C1=NC(N(C)C)=NC(N2CCCC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013353959	1	47	0.0	-44.99	355.18	11.38	-33.61
CC1(C(=O)[O-])CCCN(C2=CC=[NH+]C(N3CCCCC3)=N2)C1	REAL300013353965	0	46	0.0	-58.85	338.73	9.06	-49.79
CCC1=C(N2CCCC(C)(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013353975	0	47	0.0	-56.50	341.90	10.02	-46.48
CC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013353981	0	50	0.0	-49.04	364.95	5.45	-43.59
CC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013353981	1	50	0.0	-58.61	367.11	5.79	-52.82
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300013353986	0	43	0.0	-71.18	334.96	9.17	-62.01
CN1CCN(C2=CC(N3CCCC(C)(C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013353996	0	47	0.0	-54.88	351.55	7.02	-47.86
CN1CCN(C2=CC(N3CCCC(C)(C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013353996	1	47	0.0	-69.82	351.35	6.96	-62.86
CC(C)C1OCCCC1NC1=CC(N2CCCC(C)(C(=O)[O-])C2)=NC=[NH+]1	REAL300013354006	0	56	0.0	-60.83	405.02	9.91	-50.92
CC(C)C1OCCCC1NC1=CC(N2CCCC(C)(C(=O)[O-])C2)=[NH+]C=N1	REAL300013354006	1	56	0.0	-47.40	403.32	9.74	-37.66
CC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C1	REAL300013354026	0	49	0.0	-68.26	375.14	10.82	-57.44
CC1(C(=O)[O-])CCCN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013354031	1	45	0.0	-47.56	361.29	11.37	-36.19
CCCCNC1=CC(N2CCCC(C)(C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013354038	0	47	0.0	-58.76	355.39	8.13	-50.63
CCCCNC1=CC(N2CCCC(C)(C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013354038	1	47	0.0	-45.26	353.66	7.98	-37.28
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013354049	0	50	0.0	-54.20	382.45	8.46	-45.74
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013354049	1	50	0.0	-45.43	385.23	7.74	-37.69
CC(C)NC1=NC(NCCO)=NC(N2CCCC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013354049	1	50	0.0	-45.60	384.50	7.72	-37.88
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013354062	0	52	0.0	-50.52	382.13	12.40	-38.12
CCNC1=NC(NC(C)(C)C)=NC(N2CCCC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013354062	1	52	0.0	-44.61	386.41	11.97	-32.64
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013354062	1	52	0.0	-45.01	388.02	12.04	-32.97
CC(O)C1CCN(C2=CC(N3CCCC(C)(C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013354101	0	50	0.0	-48.99	368.45	6.28	-42.71
CC(O)C1CCN(C2=CC(N3CCCC(C)(C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013354101	1	50	0.0	-60.80	366.65	6.09	-54.71
CC1(C(=O)[O-])CCCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C1	REAL300013354103	1	41	0.0	-50.71	319.29	9.52	-41.19
CCCC1=CC2=C(N3CCCC(C)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013354106	0	47	0.0	-60.74	349.96	10.15	-50.59
CC(C)OC1=CC2=C(N3CCCC(C)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013354108	0	48	0.0	-65.77	354.76	8.79	-56.98
CC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013354224	1	38	0.0	-64.41	306.88	8.55	-55.86
CCOC1=CC2=[NH+]C=CC(N3CCCC(C)(C(=O)[O-])C3)=C2C=C1OCC	REAL300013354241	0	52	0.0	-62.60	387.70	9.02	-53.58
CCC1=CC(N2CCCC(C)(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013354243	1	46	0.0	-63.08	355.92	9.39	-53.69
COC1=CC2=[NH+]C=CC(N3CCCC(C)(C(=O)[O-])C3)=C2C=C1Br	REAL300013354280	0	42	0.0	-65.37	335.33	7.92	-57.45
CC1(C)CCCN(C2=CC=[NH+]C(N3CCCC(C)(C(=O)[O-])C3)=N2)C1	REAL300013354288	0	52	0.0	-64.30	373.13	10.93	-53.37
CC1=CC2=C(N3CCCC(C)(C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013354293	0	51	0.0	-54.45	372.01	11.30	-43.15
CC1=CC(C(F)(F)F)=CC(N2CCCC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013354296	0	38	0.0	-57.17	303.60	8.15	-49.02
CC1(C(=O)[O-])CCCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C1	REAL300013354298	1	43	0.0	-58.84	331.31	10.39	-48.45
COC1=CC2=[NH+]C=CC(N3CCCC(C)(C(=O)[O-])C3)=C2C=C1OC	REAL300013354301	0	46	0.0	-62.74	343.99	7.18	-55.56
CC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013354329	0	47	0.0	-57.98	360.95	9.85	-48.13
CC1=CC=C2C(N3CCCC(C)(C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013354355	0	44	0.0	-49.59	339.94	9.67	-39.92
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013354357	0	46	0.0	-57.28	353.20	9.76	-47.52
CC1=NC(NC2=CC=CC=C2)=CC(N2CCCC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013354357	1	46	0.0	-46.58	352.76	10.48	-36.10
CC1=[NH+]C=CC(N2CCCC(C)(C(=O)[O-])C2)=C1Br	REAL300013354360	0	35	0.0	-62.31	279.77	6.92	-55.39
CN(C1=CC=[NH+]C(N2CCCC(C)(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013354362	0	52	0.0	-60.51	374.89	11.99	-48.52
CC1=CC(N(C)C(C)C)=NC(N2CCCC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013354363	0	48	0.0	-55.67	354.91	10.70	-44.97
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCCC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013354366	0	49	0.0	-62.71	375.64	11.89	-50.82
CC1=CC(N2C=CC=N2)=NC(N2CCCC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013354367	1	41	0.0	-57.95	323.06	9.94	-48.01
CC1=CC(N2CCCC(C)(C(=O)[O-])C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013354370	0	48	0.0	-58.96	354.30	11.17	-47.79
CN(C1=[NH+]C=CC(N2CCCC(C)(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013354373	0	52	0.0	-65.96	374.41	12.49	-53.47
CC1=CC(N2CCCC(C)(C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013354375	1	49	0.0	-62.35	376.89	13.12	-49.23
CC1(C(=O)[O-])CCCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)C1	REAL300013354417	0	42	0.0	-45.95	314.14	8.69	-37.26
CC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013354418	0	42	0.0	-59.89	339.02	8.25	-51.64
CN(C)C1=CC(N2CCCC(C)(C(=O)[O-])C2)=NC(N(C)C)=[NH+]1	REAL300013354422	1	47	0.0	-56.40	347.32	10.61	-45.79
CN(C)C1=CC(N2CCCC(C)(C(=O)[O-])C2)=[NH+]C(N(C)C)=N1	REAL300013354422	1	47	0.0	-43.09	347.90	10.63	-32.46
CC1=C(Cl)C2=[NH+]C=CC(N3CCCC(C)(C(=O)[O-])C3)=C2C=C1	REAL300013354429	1	41	0.0	-53.90	318.65	9.09	-44.81
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=CC=C32)C1	REAL300013354440	0	42	0.0	-62.01	318.18	6.95	-55.06
COCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C3=CC=C(F)C=C32)C1	REAL300013354448	0	45	0.0	-62.09	346.09	8.63	-53.46
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013354457	0	48	0.0	-53.41	364.40	8.77	-44.64
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013354457	1	48	0.0	-59.69	364.68	8.65	-51.04
COCC1(C(=O)[O-])CCCN(C2=CC(NCC3CC3)=[NH+]C=N2)C1	REAL300013354467	0	47	0.0	-65.43	360.59	8.55	-56.88
COCC1(C(=O)[O-])CCCN(C2=CC(NCC3CC3)=NC=[NH+]2)C1	REAL300013354467	1	47	0.0	-55.32	361.76	8.02	-47.30
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCCC3)=[NH+]C=N2)C1	REAL300013354480	0	47	0.0	-56.56	348.82	8.11	-48.45
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCCC3)=NC=[NH+]2)C1	REAL300013354480	1	47	0.0	-49.49	348.15	8.14	-41.35
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3)=[NH+]C=N2)C1	REAL300013354481	0	50	0.0	-58.32	363.95	9.05	-49.27
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3)=NC=[NH+]2)C1	REAL300013354481	1	50	0.0	-50.11	364.99	8.89	-41.22
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013354482	0	54	0.0	-52.61	402.29	4.96	-47.65
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013354482	1	54	0.0	-65.90	396.62	6.17	-59.73
CCCC1=[NH+]C2=CC=CC=C2C(N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300013354483	0	51	0.0	-53.06	379.50	10.07	-42.99
COCC1(C(=O)[O-])CCCN(C2=NC3=CC(OC)=C(OC)C=C3C(N)=[NH+]2)C1	REAL300013354515	0	51	0.0	-68.64	387.92	7.22	-61.42
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C1	REAL300013354530	0	45	0.0	-63.76	356.68	7.95	-55.81
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)C1	REAL300013354549	1	42	0.0	-67.62	333.03	8.33	-59.29
COCC1(C(=O)[O-])CCCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013354552	1	39	0.0	-53.90	313.15	7.63	-46.27
COCC1(C(=O)[O-])CCCN(C2=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N2)C1	REAL300013354554	1	59	0.0	-58.12	428.90	10.69	-47.43
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013354562	0	48	0.0	-54.06	355.06	6.59	-47.47
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013354562	1	48	0.0	-59.67	355.03	6.60	-53.07
COCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C(C3=CC=C([N+](=O)[O-])C=C3)=N2)C1	REAL300013354572	1	50	0.0	-74.23	398.88	10.84	-63.39
COCC1(C(=O)[O-])CCCN(C2=[NH+]C3=CC(C)=CC=C3C(C)=C2)C1	REAL300013354594	1	48	0.0	-48.04	362.38	9.97	-38.07
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)C1	REAL300013354618	1	42	0.0	-61.69	334.85	7.45	-54.24
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1	REAL300013354631	1	42	0.0	-61.89	339.40	7.55	-54.34
COCC1(C(=O)[O-])CCCN(C2=C3SC=CC3=[NH+]C=C2)C1	REAL300013354670	1	39	0.0	-63.58	311.27	5.94	-57.64
COCC1(C(=O)[O-])CCCN(C2=C3C=CNC3=NC(C)=[NH+]2)C1	REAL300013354676	0	42	0.0	-52.28	323.05	6.48	-45.80
COCC1(C(=O)[O-])CCCN(C2=C(C)C=[NH+]C3=CC=CC=C32)C1	REAL300013354678	0	45	0.0	-59.33	336.16	8.87	-50.46
COCC1(C(=O)[O-])CCCN(C2=CC(NCC(C)O)=[NH+]C=N2)C1	REAL300013354687	0	47	0.0	-59.75	360.03	5.14	-54.61
COCC1(C(=O)[O-])CCCN(C2=CC(NCC(C)O)=NC=[NH+]2)C1	REAL300013354687	1	47	0.0	-56.44	362.69	3.89	-52.55
COCC1(C(=O)[O-])CCCN(C2=CC(N3C=CC=N3)=NC(N)=[NH+]2)C1	REAL300013354698	0	44	0.0	-48.21	350.55	6.88	-41.33
COCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N3CCOCC3)=N2)C1	REAL300013354704	0	48	0.0	-68.08	358.84	6.33	-61.75
COCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C3=C(OC)C=CC=C23)C1	REAL300013354711	1	49	0.0	-53.18	368.11	8.00	-45.18
CCC1=[NH+]C2=CC=CC=C2C(N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300013354720	0	48	0.0	-53.24	358.00	9.29	-43.95
COCC1(C(=O)[O-])CCCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013354724	1	39	0.0	-53.90	313.15	7.63	-46.27
COCC1(C(=O)[O-])CCCN(C2=NC(C(C)C)=[NH+]C(N(C)C)=N2)C1	REAL300013354734	1	51	0.0	-56.37	385.60	11.63	-44.74
COCC1(C(=O)[O-])CCCN(C2=[NH+]C(C(C)C)=NC(N(C)C)=N2)C1	REAL300013354734	1	51	0.0	-48.04	385.39	11.19	-36.85
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C(N3CCCCC3)=N2)C1	REAL300013354742	0	50	0.0	-58.18	366.28	9.61	-48.57
CCC1=C(N2CCCC(COC)(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013354753	0	51	0.0	-55.36	369.40	9.94	-45.42
COCC1(C(=O)[O-])CCCN(C2=[NH+]C(C)=CC3=CC=CC=C32)C1	REAL300013354755	0	45	0.0	-48.54	336.77	9.68	-38.86
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013354761	0	54	0.0	-52.17	400.55	4.13	-48.04
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013354761	1	54	0.0	-61.53	397.81	5.66	-55.87
COCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C3=CC=C([N+](=O)[O-])C=C32)C1	REAL300013354765	0	47	0.0	-71.33	367.75	9.24	-62.09
COCC1(C(=O)[O-])CCCN(C2=C(C)C(C)=[NH+]C3=CC=CC=C32)C1	REAL300013354772	0	48	0.0	-60.35	353.86	8.47	-51.88
COCC1(C(=O)[O-])CCCN(C2=C(C)C=[NH+]C3=C(C)C=CC=C32)C1	REAL300013354779	0	48	0.0	-59.09	355.20	8.59	-50.50
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C=C2Br)C1	REAL300013354780	1	36	0.0	-67.90	291.51	6.32	-61.58
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCN(C)C(=O)C3)=NC=[NH+]2)C1	REAL300013354781	0	51	0.0	-57.75	387.26	5.67	-52.08
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCN(C)C(=O)C3)=[NH+]C=N2)C1	REAL300013354781	1	51	0.0	-67.98	378.08	6.15	-61.83
COCC1(C(=O)[O-])CCCN(C2=CC(NC3CCCOC3C(C)C)=[NH+]C=N2)C1	REAL300013354794	0	60	0.0	-65.71	436.77	9.61	-56.10
COCC1(C(=O)[O-])CCCN(C2=CC(NC3CCCOC3C(C)C)=NC=[NH+]2)C1	REAL300013354794	1	60	0.0	-50.82	440.22	8.26	-42.56
CCOC(=O)C1=C[NH+]=CC=C1N1CCCC(COC)(C(=O)[O-])C1	REAL300013354796	1	45	0.0	-72.22	350.75	8.31	-63.91
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C1	REAL300013354817	0	53	0.0	-71.45	405.18	10.67	-60.78
CCCCNC1=CC(N2CCCC(COC)(C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013354834	0	51	0.0	-61.58	386.08	8.01	-53.57
CCCCNC1=CC(N2CCCC(COC)(C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013354834	1	51	0.0	-46.05	386.49	7.69	-38.36
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C=C2Br)C1	REAL300013354843	1	36	0.0	-67.90	291.51	6.32	-61.58
COCC1(C(=O)[O-])CCCN(C2=NC(NCCO)=[NH+]C(NC(C)C)=N2)C1	REAL300013354850	0	54	0.0	-57.30	412.84	8.05	-49.25
COCC1(C(=O)[O-])CCCN(C2=[NH+]C(NCCO)=NC(NC(C)C)=N2)C1	REAL300013354850	1	54	0.0	-50.15	415.88	7.50	-42.65
COCC1(C(=O)[O-])CCCN(C2=NC(NCCO)=NC(NC(C)C)=[NH+]2)C1	REAL300013354850	1	54	0.0	-49.49	415.18	7.48	-42.01
COCC1(C(=O)[O-])CCCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013354860	1	39	0.0	-53.90	313.15	7.63	-46.27
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCCC(COC)(C(=O)[O-])C2)=N1	REAL300013354866	0	56	0.0	-52.96	412.86	12.15	-40.81
CCNC1=NC(NC(C)(C)C)=NC(N2CCCC(COC)(C(=O)[O-])C2)=[NH+]1	REAL300013354866	1	56	0.0	-54.01	415.49	12.50	-41.51
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCCC(COC)(C(=O)[O-])C2)=N1	REAL300013354866	1	56	0.0	-45.79	414.58	11.43	-34.36
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCC(C(C)O)C3)=NC=[NH+]2)C1	REAL300013354920	0	54	0.0	-58.36	403.10	5.68	-52.68
COCC1(C(=O)[O-])CCCN(C2=CC(N3CCC(C(C)O)C3)=[NH+]C=N2)C1	REAL300013354920	1	54	0.0	-63.75	397.34	5.98	-57.77
COCC1(C(=O)[O-])CCCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C1	REAL300013354923	1	45	0.0	-58.22	336.82	9.18	-49.04
CCCC1=CC2=C(N3CCCC(COC)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013354927	0	51	0.0	-63.87	380.66	10.01	-53.86
CCC1=CC2=C(N3CCCC(COC)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013354928	0	48	0.0	-63.57	359.16	9.23	-54.34
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(OC(C)C)C=C32)C1	REAL300013354932	0	52	0.0	-69.12	385.56	8.68	-60.44
COCC1(C(=O)[O-])CCCN(C2=CC(NC3CC3)=[NH+]C=N2)C1	REAL300013354940	0	44	0.0	-62.14	339.34	7.31	-54.83
COCC1(C(=O)[O-])CCCN(C2=CC(NC3CC3)=NC=[NH+]2)C1	REAL300013354940	1	44	0.0	-50.70	340.52	6.55	-44.15
COCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C3=CC=CC=C32)C1	REAL300013354993	0	45	0.0	-54.96	336.57	8.55	-46.41
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013355059	1	42	0.0	-67.52	337.58	8.43	-59.09
CCOC1=CC2=[NH+]C=CC(N3CCCC(COC)(C(=O)[O-])C3)=C2C=C1OCC	REAL300013355080	0	56	0.0	-65.69	418.39	8.90	-56.79
CCC1=CC(N2CCCC(COC)(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013355082	1	50	0.0	-65.90	386.59	9.26	-56.64
COCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N3CCCC3)=N2)C1	REAL300013355093	0	47	0.0	-53.19	349.40	8.85	-44.34
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(F)=CC=C32)C1	REAL300013355115	0	42	0.0	-62.03	324.55	7.02	-55.01
COCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC3=CC=C(C)C=C32)C1	REAL300013355135	1	45	0.0	-56.12	337.59	9.60	-46.52
COCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC3=C(C)C=CC=C32)C1	REAL300013355136	1	45	0.0	-55.31	332.23	8.48	-46.83
COCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N3CCCC(C)(C)C3)=N2)C1	REAL300013355143	0	56	0.0	-54.92	403.62	11.37	-43.55
COCC1(C(=O)[O-])CCCN(C2=C3CCCCC3=[NH+]C3=CC(F)=C(C)C=C32)C1	REAL300013355148	0	55	0.0	-57.29	402.76	11.03	-46.26
COCC1(C(=O)[O-])CCCN(C2=CC(C(F)(F)F)=CC(C)=[NH+]2)C1	REAL300013355152	0	42	0.0	-48.70	337.10	8.02	-40.68
COCC1(C(=O)[O-])CCCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C1	REAL300013355154	1	47	0.0	-61.81	362.00	10.25	-51.56
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(OC)=C(OC)C=C32)C1	REAL300013355159	0	50	0.0	-65.83	374.64	7.07	-58.76
COCC1(C(=O)[O-])CCCN(C2=C3SC=CC3=[NH+]C=C2)C1	REAL300013355186	1	39	0.0	-63.58	311.27	5.94	-57.64
COCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013355203	0	51	0.0	-56.81	388.39	10.74	-46.07
COCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C3=C(Cl)C(C)=CC=C23)C1	REAL300013355240	0	48	0.0	-49.18	369.68	9.72	-39.46
COCC1(C(=O)[O-])CCCN(C2=CC(NC3=CC=CC=C3)=[NH+]C(C)=N2)C1	REAL300013355244	0	50	0.0	-60.30	383.12	9.66	-50.64
COCC1(C(=O)[O-])CCCN(C2=CC(NC3=CC=CC=C3)=NC(C)=[NH+]2)C1	REAL300013355244	1	50	0.0	-49.53	388.44	9.13	-40.40
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C(C)=C2Br)C1	REAL300013355247	0	39	0.0	-64.05	315.69	7.37	-56.68
COCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC(N(C)C3CCCCC3)=N2)C1	REAL300013355249	0	56	0.0	-56.56	407.11	11.01	-45.55
COCC1(C(=O)[O-])CCCN(C2=[NH+]C(C)=CC(N(C)C(C)C)=N2)C1	REAL300013355250	0	52	0.0	-52.47	387.73	9.75	-42.72
COCC1(C(=O)[O-])CCCN(C2=[NH+]C(C)=CC(N(C)C3=CC=CC=C3)=N2)C1	REAL300013355254	0	53	0.0	-50.79	411.64	11.81	-38.98
COCC1(C(=O)[O-])CCCN(C2=[NH+]C(C)=CC(N3C=CC=N3)=N2)C1	REAL300013355255	1	45	0.0	-60.79	353.72	9.82	-50.97
COCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C(N(C)C(C)C)=N2)C1	REAL300013355258	0	52	0.0	-61.77	385.73	10.91	-50.86
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C(N(C)C3CCCCC3)=N2)C1	REAL300013355261	0	56	0.0	-68.81	405.10	12.36	-56.45
COCC1(C(=O)[O-])CCCN(C2=CC(C)=[NH+]C(N(C)C3=CC=CC=C3)=N2)C1	REAL300013355263	1	53	0.0	-65.24	407.59	12.88	-52.36
COCC1(C(=O)[O-])CCCN(C2=[NH+]C=CC3=CC=CC(C)=C32)C1	REAL300013355291	1	45	0.0	-56.83	332.00	10.00	-46.83
COCC1(C(=O)[O-])CCCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)C1	REAL300013355320	0	46	0.0	-46.92	347.74	7.72	-39.20
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013355321	0	46	0.0	-63.36	364.04	6.74	-56.62
COCC1(C(=O)[O-])CCCN(C2=CC(N(C)C)=[NH+]C(N(C)C)=N2)C1	REAL300013355328	1	51	0.0	-59.91	378.99	10.29	-49.62
COCC1(C(=O)[O-])CCCN(C2=CC(N(C)C)=NC(N(C)C)=[NH+]2)C1	REAL300013355328	1	51	0.0	-44.37	380.57	10.36	-34.01
COCC1(C(=O)[O-])CCCN(C2=CC=[NH+]C3=C(Cl)C(C)=CC=C23)C1	REAL300013355336	1	45	0.0	-57.06	349.35	8.96	-48.10
CN1CCC([NH+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)CC2)C1=O	REAL300013355399	0	45	0.0	-86.79	344.54	6.36	-80.43
CN1CCC([NH+]2CCC(NC3=NC=CC=C3C(=O)[O-])CC2)C1=O	REAL300013355400	0	45	0.0	-65.15	343.62	7.32	-57.83
CN1CCC([NH+]2CCC(NC3=NC=C(C(=O)[O-])C=C3Cl)CC2)C1=O	REAL300013355401	0	45	0.0	-69.48	363.11	7.74	-61.74
CN1CCC([NH+]2CCC(NC3=CC=CC(C(=O)[O-])=N3)CC2)C1=O	REAL300013355402	0	45	0.0	-86.79	344.54	6.36	-80.43
CN1CCC([NH+]2CCC(NC3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)C1=O	REAL300013355403	0	48	0.0	-109.69	376.25	8.00	-101.69
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=CC=CC(F)=C2F)CC1	REAL300013355414	0	39	0.0	-47.41	318.83	10.53	-36.88
CC1=[NH+]C2=C(CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)N1CCO	REAL300013355432	1	43	0.0	-72.16	346.09	5.36	-66.80
CC1=[NH+]C2=C(CCC(NC3=NC=CC=C3C(=O)[O-])C2)N1CCO	REAL300013355433	1	43	0.0	-56.36	343.11	6.04	-50.32
CC1=[NH+]C2=C(CCC(NC3=NC=C(C(=O)[O-])C=C3Cl)C2)N1CCO	REAL300013355434	1	43	0.0	-59.49	362.65	6.33	-53.16
CC1=[NH+]C2=C(CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)N1CCO	REAL300013355435	1	43	0.0	-72.16	346.09	5.36	-66.80
CC1=[NH+]C2=C(CCC(NC3=CC=CC(C(=O)[O-])=N3)C2)N1CCO	REAL300013355436	1	43	0.0	-72.16	346.09	5.36	-66.80
CC1=[NH+]C2=C(CCC(NC3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)N1CCO	REAL300013355437	1	46	0.0	-97.04	377.17	6.74	-90.30
CC[N@H+](CCCNC1=CC=CC(C(=O)[O-])=N1)C1CCCCC1	REAL300013355450	0	49	0.0	-77.03	357.62	9.20	-67.83
CC[N@@H+](CCCNC1=CC=CC(C(=O)[O-])=N1)C1CCCCC1	REAL300013355450	1	49	0.0	-77.04	358.45	9.23	-67.81
CC[N@H+](CCCNC1=NC=CC=C1C(=O)[O-])C1CCCCC1	REAL300013355451	0	49	0.0	-56.78	354.26	9.78	-47.00
CC[N@@H+](CCCNC1=NC=CC=C1C(=O)[O-])C1CCCCC1	REAL300013355451	1	49	0.0	-56.84	354.53	9.80	-47.04
CC[N@H+](CCCNC1=NC=C(C(=O)[O-])C=C1Cl)C1CCCCC1	REAL300013355452	0	49	0.0	-67.57	373.12	10.06	-57.51
CC[N@@H+](CCCNC1=NC=C(C(=O)[O-])C=C1Cl)C1CCCCC1	REAL300013355452	1	49	0.0	-67.59	373.95	10.10	-57.49
CC[N@H+](CCCNC1=CC=CC(C(=O)[O-])=N1)C1CCCCC1	REAL300013355453	0	49	0.0	-77.03	357.62	9.20	-67.83
CC[N@@H+](CCCNC1=CC=CC(C(=O)[O-])=N1)C1CCCCC1	REAL300013355453	1	49	0.0	-77.04	358.45	9.23	-67.81
CC[N@H+](CCCNC1=CC=CC(C(=O)[O-])=N1)C1CCCCC1	REAL300013355454	0	49	0.0	-77.03	357.62	9.20	-67.83
CC[N@@H+](CCCNC1=CC=CC(C(=O)[O-])=N1)C1CCCCC1	REAL300013355454	1	49	0.0	-77.04	358.45	9.23	-67.81
CC[N@H+](CCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CCCCC1	REAL300013355455	0	52	0.0	-101.00	386.20	10.41	-90.59
CC[N@@H+](CCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CCCCC1	REAL300013355455	1	52	0.0	-101.05	387.12	10.44	-90.61
C[N@@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)C(CC2=CC=CC=C2)C1	REAL300013355465	0	44	0.0	-73.31	348.07	9.05	-64.26
C[N@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)C(CC2=CC=CC=C2)C1	REAL300013355465	1	44	0.0	-75.40	346.82	9.40	-66.00
C[N@@H+]1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)C(CC2=CC=CC=C2)C1	REAL300013355466	1	44	0.0	-66.99	363.21	9.86	-57.13
C[N@H+]1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)C(CC2=CC=CC=C2)C1	REAL300013355466	1	44	0.0	-66.95	363.26	9.87	-57.08
C[N@@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)C(CC2=CC=CC=C2)C1	REAL300013355467	0	44	0.0	-73.31	348.07	9.05	-64.26
C[N@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)C(CC2=CC=CC=C2)C1	REAL300013355467	1	44	0.0	-75.40	346.82	9.40	-66.00
C[N@@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)C(CC2=CC=CC=C2)C1	REAL300013355468	0	44	0.0	-73.31	348.07	9.05	-64.26
C[N@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)C(CC2=CC=CC=C2)C1	REAL300013355468	1	44	0.0	-75.40	346.82	9.40	-66.00
C[N@@H+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C(CC2=CC=CC=C2)C1	REAL300013355469	0	47	0.0	-98.86	376.55	11.01	-87.85
C[N@H+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C(CC2=CC=CC=C2)C1	REAL300013355469	1	47	0.0	-110.38	368.90	12.11	-98.27
CC(C)(C)[N@@H+]1CCC(CNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013355499	0	43	0.0	-65.02	338.11	8.47	-56.55
CC(C)(C)[N@H+]1CCC(CNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013355499	1	43	0.0	-63.62	338.08	8.47	-55.15
CC(C)(C)[N@@H+]1CCC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013355500	0	46	0.0	-98.75	351.29	8.80	-89.95
CC(C)(C)[N@H+]1CCC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013355500	1	46	0.0	-98.73	351.27	8.79	-89.94
CC(C)(C)[N@@H+]1CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013355511	0	43	0.0	-99.38	330.48	8.26	-91.12
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CC[N@H+]1CCCC(CN(C)C2=NC=C(C(=O)[O-])C=C2Cl)C1C1=CN(C)N=C1	REAL300013355538	1	53	0.0	-66.98	409.48	9.29	-57.69
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CC1C[N@H+](CC2=CC=CC=C2)CC1CNC1=NC=CC=C1C(=O)[O-]	REAL300013355818	0	47	0.0	-55.20	362.87	10.77	-44.43
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC1=NC=CC=C1C(=O)[O-]	REAL300013355818	1	47	0.0	-53.48	362.46	10.79	-42.69
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013355819	0	47	0.0	-70.06	381.69	11.09	-58.97
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013355819	1	47	0.0	-69.73	387.76	11.20	-58.53
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013355820	0	47	0.0	-75.96	372.85	10.36	-65.60
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013355820	1	47	0.0	-75.36	366.42	10.24	-65.12
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013355821	0	47	0.0	-75.96	372.85	10.36	-65.60
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013355821	1	47	0.0	-75.36	366.42	10.24	-65.12
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013355822	0	50	0.0	-99.97	400.18	11.54	-88.43
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013355822	1	50	0.0	-100.64	400.45	11.52	-89.12
C[NH+]1CCC(CNC2=CC=CC(C(=O)[O-])=N2)(C2=CC=CC=C2)CC1	REAL300013355834	0	47	0.0	-83.37	354.19	9.96	-73.41
C[NH+]1CCC(CNC2=NC=CC=C2C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300013355835	0	47	0.0	-65.93	353.52	10.49	-55.44
C[NH+]1CCC(CNC2=NC=C(C(=O)[O-])C=C2Cl)(C2=CC=CC=C2)CC1	REAL300013355836	0	47	0.0	-69.66	370.19	10.80	-58.86
C[NH+]1CCC(CNC2=CC=CC(C(=O)[O-])=N2)(C2=CC=CC=C2)CC1	REAL300013355837	0	47	0.0	-83.37	354.19	9.96	-73.41
C[NH+]1CCC(CNC2=CC=CC(C(=O)[O-])=N2)(C2=CC=CC=C2)CC1	REAL300013355838	0	47	0.0	-83.37	354.19	9.96	-73.41
C[NH+]1CCC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)(C2=CC=CC=C2)CC1	REAL300013355839	0	50	0.0	-108.32	383.37	11.14	-97.18
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COC1=CC=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C(OC)=C1	REAL300013355862	0	46	0.0	-49.14	361.38	6.80	-42.34
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CC(C1=CC=CC=C1)[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013355927	0	44	0.0	-67.44	339.47	9.76	-57.68
CC(C1=CC=CC=C1)[NH+]1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013355928	0	44	0.0	-51.77	339.77	10.62	-41.15
CC(C1=CC=CC=C1)[NH+]1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013355929	1	44	0.0	-61.91	357.90	10.33	-51.58
CC(C1=CC=CC=C1)[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013355930	0	44	0.0	-67.44	339.47	9.76	-57.68
CC(C1=CC=CC=C1)[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013355931	0	44	0.0	-67.44	339.47	9.76	-57.68
CC(C1=CC=CC=C1)[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013355932	0	47	0.0	-95.99	364.52	11.61	-84.38
NC(=O)C1([NH+]2CCCCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013355933	0	48	0.0	-76.42	343.20	5.05	-71.37
NC(=O)C1([NH+]2CCCCC2)CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013355934	0	48	0.0	-60.83	342.90	5.93	-54.90
NC(=O)C1([NH+]2CCCCC2)CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013355935	0	48	0.0	-70.30	362.11	5.58	-64.72
NC(=O)C1([NH+]2CCCCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013355936	0	48	0.0	-76.42	343.20	5.05	-71.37
NC(=O)C1([NH+]2CCCCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013355937	0	48	0.0	-76.42	343.20	5.05	-71.37
NC(=O)C1([NH+]2CCCCC2)CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013355938	0	51	0.0	-100.23	368.07	6.85	-93.38
CCC1([NH+]2CCCCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013355939	0	50	0.0	-72.02	337.93	8.68	-63.34
CCC1([NH+]2CCCCC2)CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013355940	0	50	0.0	-55.37	342.91	10.10	-45.27
CCC1([NH+]2CCCCC2)CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013355941	0	50	0.0	-62.86	356.05	9.37	-53.49
CCC1([NH+]2CCCCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013355942	0	50	0.0	-72.02	337.93	8.68	-63.34
CCC1([NH+]2CCCCC2)CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013355943	0	50	0.0	-72.02	337.93	8.68	-63.34
CCC1([NH+]2CCCCC2)CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013355944	0	53	0.0	-98.08	363.11	10.90	-87.18
CNS(=O)(=O)C1=CC=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013355952	0	46	0.0	-56.51	375.32	4.06	-52.45
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(C2=CC(C3=CC=CC=C3)=NN2)C1	REAL300013355956	0	46	0.0	-53.03	368.80	10.48	-42.55
C[C@@H]1C[N@@H+](CCC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C[C@H](C)O1	REAL300013355961	0	54	0.0	-82.64	394.80	9.28	-73.36
C[C@@H]1C[N@H+](CCC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C[C@H](C)O1	REAL300013355961	1	54	0.0	-79.41	401.08	9.25	-70.16
C[C@@H]1C[N@@H+](CCC2CCN(C3=NC=CC=C3C(=O)[O-])CC2)C[C@H](C)O1	REAL300013355962	1	54	0.0	-71.08	395.58	10.10	-60.98
C[C@@H]1C[N@H+](CCC2CCN(C3=NC=CC=C3C(=O)[O-])CC2)C[C@H](C)O1	REAL300013355962	1	54	0.0	-71.59	401.86	10.07	-61.52
C[C@@H]1C[N@@H+](CCC2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)C[C@H](C)O1	REAL300013355963	0	54	0.0	-70.63	413.71	9.80	-60.83
C[C@@H]1C[N@H+](CCC2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)C[C@H](C)O1	REAL300013355963	1	54	0.0	-70.96	419.99	9.78	-61.18
C[C@@H]1C[N@@H+](CCC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C[C@H](C)O1	REAL300013355964	0	54	0.0	-82.64	394.80	9.28	-73.36
C[C@@H]1C[N@H+](CCC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C[C@H](C)O1	REAL300013355964	1	54	0.0	-79.41	401.08	9.25	-70.16
C[C@@H]1C[N@@H+](CCC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C[C@H](C)O1	REAL300013355965	0	54	0.0	-82.64	394.80	9.28	-73.36
C[C@@H]1C[N@H+](CCC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C[C@H](C)O1	REAL300013355965	1	54	0.0	-79.41	401.08	9.25	-70.16
C[C@@H]1C[N@@H+](CCC2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)C[C@H](C)O1	REAL300013355966	0	57	0.0	-102.58	420.22	11.05	-91.53
C[C@@H]1C[N@H+](CCC2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)C[C@H](C)O1	REAL300013355966	1	57	0.0	-103.56	426.50	11.02	-92.54
C[C@@H]1C[N@@H+](CC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C[C@H](C)O1	REAL300013355967	0	51	0.0	-79.95	371.54	8.55	-71.40
C[C@@H]1C[N@H+](CC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C[C@H](C)O1	REAL300013355967	1	51	0.0	-80.88	379.46	8.65	-72.23
C[C@@H]1C[N@@H+](CC2CCN(C3=NC=CC=C3C(=O)[O-])CC2)C[C@H](C)O1	REAL300013355968	1	51	0.0	-66.87	372.30	9.37	-57.50
C[C@@H]1C[N@H+](CC2CCN(C3=NC=CC=C3C(=O)[O-])CC2)C[C@H](C)O1	REAL300013355968	1	51	0.0	-65.67	379.16	9.52	-56.15
C[C@@H]1C[N@@H+](CC2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)C[C@H](C)O1	REAL300013355969	0	51	0.0	-70.58	389.95	9.23	-61.35
C[C@@H]1C[N@H+](CC2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)C[C@H](C)O1	REAL300013355969	1	51	0.0	-70.69	397.84	9.34	-61.35
C[C@@H]1C[N@@H+](CC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C[C@H](C)O1	REAL300013355970	0	51	0.0	-79.95	371.54	8.55	-71.40
C[C@@H]1C[N@H+](CC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C[C@H](C)O1	REAL300013355970	1	51	0.0	-80.88	379.46	8.65	-72.23
C[C@@H]1C[N@@H+](CC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C[C@H](C)O1	REAL300013355971	0	51	0.0	-79.95	371.54	8.55	-71.40
C[C@@H]1C[N@H+](CC2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C[C@H](C)O1	REAL300013355971	1	51	0.0	-80.88	379.46	8.65	-72.23
C[C@@H]1C[N@@H+](CC2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)C[C@H](C)O1	REAL300013355972	0	54	0.0	-105.36	398.57	10.45	-94.91
C[C@@H]1C[N@H+](CC2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)C[C@H](C)O1	REAL300013355972	1	54	0.0	-102.67	404.85	10.44	-92.23
O=C([O-])C1=CN=C(N2CCC3C2CCC[N@H+]3CCO)C(Cl)=C1	REAL300013355973	0	42	0.0	-63.60	328.57	5.14	-58.46
O=C([O-])C1=CN=C(N2CCC3C2CCC[N@@H+]3CCO)C(Cl)=C1	REAL300013355973	1	42	0.0	-64.26	335.21	4.99	-59.27
O=C([O-])C1=CC2=C(N3CCC4C3CCC[N@H+]4CCO)N=CNC2=N1	REAL300013355974	0	45	0.0	-101.82	338.26	6.88	-94.94
O=C([O-])C1=CC2=C(N3CCC4C3CCC[N@@H+]4CCO)N=CNC2=N1	REAL300013355974	1	45	0.0	-102.57	340.09	6.56	-96.01
CC1=CC=NC(C2=NOC(CC3CCN(C4=[NH+]C=CC=C4C(=O)[O-])CC3)=N2)=C1	REAL300013355976	0	49	0.0	-57.86	398.07	8.91	-48.95
C[NH+]1CCN(C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013356005	0	46	0.0	-79.55	361.30	7.85	-71.70
C[NH+]1CCN(C2=CC=C(CNC3=NC=CC=C3C(=O)[O-])C=C2)CC1	REAL300013356006	0	46	0.0	-69.26	357.33	8.38	-60.88
C[NH+]1CCN(C2=CC=C(CNC3=NC=C(C(=O)[O-])C=C3Cl)C=C2)CC1	REAL300013356007	0	46	0.0	-73.15	376.80	8.72	-64.43
C[NH+]1CCN(C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013356008	0	46	0.0	-79.55	361.30	7.85	-71.70
C[NH+]1CCN(C2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013356009	0	46	0.0	-79.55	361.30	7.85	-71.70
C[NH+]1CCN(C2=CC=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C=C2)CC1	REAL300013356010	0	49	0.0	-100.12	389.97	9.04	-91.08
O=C([O-])C1=CC=C[NH+]=C1N1C[C@@H]2CC[C@H]1[C@H]1C(=O)N(CC3=CC=CC=C3)C(=O)[C@H]12	REAL300013356081	0	50	0.0	-54.92	383.66	10.85	-44.07
CC[N@@H+]1CCCN(C2=NC=C(C(=O)[O-])C=C2Cl)CCOCC1	REAL300013356088	0	44	0.0	-56.30	321.64	6.66	-49.64
CC[N@H+]1CCCN(C2=NC=C(C(=O)[O-])C=C2Cl)CCOCC1	REAL300013356088	1	44	0.0	-64.04	332.03	7.59	-56.45
CC[N@@H+]1CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CCOCC1	REAL300013356089	0	47	0.0	-103.50	348.28	8.71	-94.79
CC[N@H+]1CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CCOCC1	REAL300013356089	1	47	0.0	-98.66	338.40	8.69	-89.97
N#CC1=CC=C(NC2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)N=C1	REAL300013356093	0	41	0.0	-52.31	338.46	8.29	-44.02
CC(C)C1=[NH+]C=CN1CCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013356098	1	38	0.0	-60.89	325.81	8.52	-52.37
CC(C)C1=[NH+]C=CN1CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013356099	1	41	0.0	-95.46	338.94	8.85	-86.61
CC(C)CC1C[N@H+](C)CCN1C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013356124	1	43	0.0	-70.05	334.82	7.77	-62.28
CC(C)CC1C[N@@H+](C)CCN1C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013356124	1	43	0.0	-68.82	342.28	8.19	-60.63
CC(C)CC1C[N@H+](C)CCN1C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013356125	0	46	0.0	-91.34	339.35	8.60	-82.74
CC(C)CC1C[N@@H+](C)CCN1C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013356125	1	46	0.0	-103.55	348.02	10.21	-93.34
COC1=CC=CC2=C1OCCN(C1=[NH+]C=CC=C1C(=O)[O-])C2	REAL300013356155	0	38	0.0	-42.02	293.36	8.22	-33.80
O=C([O-])C1=CC=C[NH+]=C1N1CCOC2=C(Cl)C=C(Br)C=C2C1	REAL300013356161	0	34	0.0	-49.25	315.49	9.06	-40.19
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013356170	0	41	0.0	-40.84	320.76	8.70	-32.14
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013356170	1	41	0.0	-50.99	318.68	8.36	-42.63
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013356175	0	47	0.0	-39.70	351.94	6.19	-33.51
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013356175	1	47	0.0	-50.01	354.52	5.60	-44.41
COC1=CC2=NC(N[C@H]3CCC[C@H]3C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013356192	0	44	0.0	-54.84	342.17	7.40	-47.44
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12	REAL300013356199	0	38	0.0	-49.58	313.86	8.96	-40.62
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013356242	1	35	0.0	-48.09	296.60	8.56	-39.53
CC1=[NH+]C2=CC=C(Br)C=C2C(N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300013356264	0	41	0.0	-56.82	327.72	9.91	-46.91
COC1=CC=CC2=C(N[C@H]3CCC[C@H]3C(=O)[O-])C=C(C)[NH+]=C12	REAL300013356290	1	42	0.0	-35.50	324.68	8.03	-27.47
CCOC(=O)C1=C(N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013356291	1	47	0.0	-64.73	370.77	8.19	-56.54
CCOC(=O)C1=C(N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013356292	1	50	0.0	-58.85	379.44	10.85	-48.00
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013356311	0	47	0.0	-40.07	355.51	5.53	-34.54
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013356311	1	47	0.0	-47.76	353.62	5.48	-42.28
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300013356315	0	40	0.0	-63.12	323.00	9.13	-53.99
CN1CCN(C2=CC(N[C@H]3CCC[C@H]3C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013356323	0	44	0.0	-36.73	337.00	6.30	-30.43
CN1CCN(C2=CC(N[C@H]3CCC[C@H]3C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013356323	1	44	0.0	-52.09	331.16	6.00	-46.09
COC1=CC=CC2=C(N[C@H]3CCC[C@H]3C(=O)[O-])C(C)=C[NH+]=C12	REAL300013356339	1	42	0.0	-48.06	317.32	7.64	-40.42
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013356349	0	46	0.0	-54.67	363.80	10.83	-43.84
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013356355	1	42	0.0	-32.65	342.76	10.93	-21.72
CC(C)NC1=[NH+]C(NCCO)=NC(N[C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300013356370	0	47	0.0	-45.13	368.41	8.55	-36.58
CC(C)NC1=NC(NCCO)=[NH+]C(N[C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300013356370	1	47	0.0	-35.14	368.61	8.48	-26.66
CC(C)NC1=NC(NCCO)=NC(N[C@H]2CCC[C@H]2C(=O)[O-])=[NH+]1	REAL300013356370	1	47	0.0	-35.23	367.96	8.47	-26.76
CCNC1=[NH+]C(N[C@H]2CCC[C@H]2C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013356380	0	49	0.0	-34.24	369.81	12.70	-21.54
CCNC1=NC(N[C@H]2CCC[C@H]2C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013356380	1	49	0.0	-42.75	373.10	13.28	-29.47
CCNC1=NC(N[C@H]2CCC[C@H]2C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013356380	1	49	0.0	-33.84	371.55	12.80	-21.04
CN(C1=CC=CC=C1)C1=CC(N[C@H]2CCC[C@H]2C(=O)[O-])=[NH+]C=N1	REAL300013356391	1	43	0.0	-38.10	337.78	10.68	-27.42
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12	REAL300013356410	1	35	0.0	-40.19	296.91	8.62	-31.57
CC(O)C1CCN(C2=CC(N[C@H]3CCC[C@H]3C(=O)[O-])=[NH+]C=N2)C1	REAL300013356411	0	47	0.0	-38.08	353.84	6.16	-31.92
CC(O)C1CCN(C2=CC(N[C@H]3CCC[C@H]3C(=O)[O-])=NC=[NH+]2)C1	REAL300013356411	1	47	0.0	-50.63	352.20	5.65	-44.98
CC(C)OC1=CC2=C(N[C@H]3CCC[C@H]3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013356416	0	45	0.0	-56.16	344.67	8.77	-47.39
C[NH+](C)CC1=NC(N[C@H]2CCC[C@H]2C(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013356521	1	52	0.0	-44.01	405.31	12.40	-31.61
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013356522	1	35	0.0	-52.77	296.58	8.57	-44.20
O=C([O-])[C@@H]1CCC[C@@H]1NC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013356529	1	35	0.0	-35.86	293.24	8.69	-27.17
CCOC1=CC2=[NH+]C=CC(N[C@H]3CCC[C@H]3C(=O)[O-])=C2C=C1OCC	REAL300013356537	0	49	0.0	-41.41	376.41	9.13	-32.28
COC1=CC2=[NH+]C=CC(N[C@H]3CCC[C@H]3C(=O)[O-])=C2C=C1Br	REAL300013356570	0	39	0.0	-41.27	324.15	8.02	-33.25
CC1(C)CCCN(C2=CC=[NH+]C(N[C@H]3CCC[C@H]3C(=O)[O-])=N2)C1	REAL300013356578	0	49	0.0	-54.29	359.45	10.49	-43.80
CC1=CC2=C(N[C@H]3CCC[C@H]3C(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013356583	0	48	0.0	-48.47	358.88	11.34	-37.13
COC1=CC2=[NH+]C=CC(N[C@H]3CCC[C@H]3C(=O)[O-])=C2C=C1OC	REAL300013356588	0	43	0.0	-41.76	332.70	7.29	-34.47
O=C([O-])[C@@H]1CCC[C@@H]1NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013356607	0	44	0.0	-52.48	342.58	10.85	-41.63
CC1=CC=C2C(N[C@H]3CCC[C@H]3C(=O)[O-])=CC(C)=[NH+]C2=C1Cl	REAL300013356623	0	41	0.0	-40.70	327.97	9.62	-31.08
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N[C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300013356626	1	43	0.0	-47.42	338.71	9.54	-37.88
CC1=NC(NC2=CC=CC=C2)=CC(N[C@H]2CCC[C@H]2C(=O)[O-])=[NH+]1	REAL300013356626	1	43	0.0	-37.14	339.04	10.34	-26.80
CN(C1=CC=[NH+]C(N[C@H]2CCC[C@H]2C(=O)[O-])=N1)C1CCCCC1	REAL300013356630	0	49	0.0	-47.37	361.04	12.08	-35.29
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@H]2CCC[C@H]2C(=O)[O-])=[NH+]1	REAL300013356633	0	46	0.0	-49.01	361.32	12.83	-36.18
CN(C1=[NH+]C=CC(N[C@H]2CCC[C@H]2C(=O)[O-])=N1)C1CCCCC1	REAL300013356636	0	49	0.0	-41.72	360.61	12.15	-29.57
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CC1=C(Cl)C2=[NH+]C=CC(N[C@H]3CCC[C@H]3C(=O)[O-])=C2C=C1	REAL300013356678	1	38	0.0	-42.57	308.37	9.11	-33.46
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COC1=CC=C(CN(C)C2=[NH+]C=CC=C2C(=O)[O-])C=C1OC	REAL300013356704	0	40	0.0	-54.67	324.25	7.89	-46.78
COC1=CC(CN(C)C2=[NH+]C=CC=C2C(=O)[O-])=CC=C1OC(F)F	REAL300013356710	0	40	0.0	-58.21	334.00	8.17	-50.04
CN(CC1=CC=C2OCCOC2=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013356716	0	38	0.0	-57.54	310.00	7.85	-49.69
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O=C([O-])C1=CC=CC(NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)=N1	REAL300013356732	0	44	0.0	-67.95	353.26	10.68	-57.27
O=C([O-])C1=CC=CC(NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)=N1	REAL300013356733	0	44	0.0	-67.95	353.26	10.68	-57.27
O=C([O-])C1=CC2=C(NCC(C3=CC=CC=C3Cl)[NH+]3CCCC3)N=CNC2=N1	REAL300013356734	0	47	0.0	-92.92	382.30	11.88	-81.04
COC1=CC=C(C)C=C1C[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013356767	1	48	0.0	-68.58	375.11	9.18	-59.40
COC1=CC=C(C)C=C1C[NH+]1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013356768	1	48	0.0	-53.34	369.09	10.15	-43.19
COC1=CC=C(C)C=C1C[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013356770	1	48	0.0	-68.58	375.11	9.18	-59.40
COC1=CC=C(C)C=C1C[NH+]1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013356771	1	48	0.0	-68.58	375.11	9.18	-59.40
COC1=CC=C(C)C=C1C[NH+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013356772	0	51	0.0	-99.33	394.08	11.11	-88.22
O=C([O-])C1=CN=C(N2CCN(C3=CC=[NH+]C=C3)CC2)C(Cl)=C1	REAL300013356773	0	37	0.0	-65.66	314.30	5.87	-59.79
O=C([O-])C1=CC2=C(N3CCN(C4=CC=[NH+]C=C4)CC3)N=CNC2=N1	REAL300013356774	0	40	0.0	-99.61	321.15	7.19	-92.42
C[NH+]1CCN(CCCNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013356785	0	42	0.0	-68.78	342.72	6.11	-62.67
CN1CC[NH+](CCCNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013356785	1	42	0.0	-69.03	342.33	6.01	-63.02
CN1CC[NH+](CCCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013356786	0	45	0.0	-103.22	355.51	6.35	-96.87
C[NH+]1CCN(CCCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013356786	1	45	0.0	-99.28	354.74	6.31	-92.97
O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CC=C4OCCOC4=C3)CC2)=N1	REAL300013356789	1	47	0.0	-75.44	369.00	8.28	-67.16
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O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CC=C4OCCOC4=C3)CC2)=N1	REAL300013356792	1	47	0.0	-75.44	369.00	8.28	-67.16
O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CC=C4OCCOC4=C3)CC2)=N1	REAL300013356793	1	47	0.0	-75.44	369.00	8.28	-67.16
O=C([O-])C1=CC2=C(N3CC[NH+](CC4=CC=C5OCCOC5=C4)CC3)N=CNC2=N1	REAL300013356794	1	50	0.0	-109.09	394.00	10.11	-98.98
O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CSC=C3)CC2)=N1	REAL300013356800	1	38	0.0	-71.62	314.85	8.13	-63.49
O=C([O-])C1=CC=CN=C1N1CC[NH+](CC2=CSC=C2)CC1	REAL300013356801	1	38	0.0	-54.76	315.21	8.99	-45.77
O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CSC=C3)CC2)=N1	REAL300013356803	1	38	0.0	-71.62	314.85	8.13	-63.49
O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CSC=C3)CC2)=N1	REAL300013356804	1	38	0.0	-71.62	314.85	8.13	-63.49
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CCN1CC(CN(C)C2=[NH+]C=CC=C2C(=O)[O-])OC2=CC=CC=C21	REAL300013356807	0	45	0.0	-58.48	346.16	7.90	-50.58
O=C([O-])C1=CC=CC(N2CC[NH+](CC3=CC=C(C(F)(F)F)C=C3)CC2)=N1	REAL300013356822	0	44	0.0	-78.78	363.25	10.12	-68.66
O=C([O-])C1=CC=CN=C1N1CC[NH+](CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300013356823	1	44	0.0	-60.74	363.60	11.00	-49.74
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O=C([O-])C1=CC=C[NH+]=C1N1CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)CC1	REAL300013356931	0	48	0.0	-54.72	388.82	8.54	-46.18
CN(CC1=CC([N+](=O)[O-])=CC=C1Cl)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013356935	0	34	0.0	-48.78	305.88	9.72	-39.06
CN(CC1=CC=C(C(=O)NC2CC2)C=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013356942	0	43	0.0	-54.10	353.88	8.68	-45.42
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CC1=CC=C(C(=O)C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C(C)=C1	REAL300013357032	0	47	0.0	-61.40	367.28	11.73	-49.67
CCNC(=O)C[N@@H+]1CCCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013357037	1	44	0.0	-82.98	340.31	5.20	-77.78
CCNC(=O)C[N@H+]1CCCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013357037	1	44	0.0	-83.66	338.52	4.86	-78.80
CCNC(=O)C[N@@H+]1CCCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013357038	1	44	0.0	-53.64	336.33	6.54	-47.10
CCNC(=O)C[N@H+]1CCCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013357038	1	44	0.0	-54.54	337.49	6.21	-48.33
CCNC(=O)C[N@@H+]1CCCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013357040	1	44	0.0	-82.98	340.31	5.20	-77.78
CCNC(=O)C[N@H+]1CCCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013357040	1	44	0.0	-83.66	338.52	4.86	-78.80
CCNC(=O)C[N@@H+]1CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013357041	1	47	0.0	-110.03	363.45	7.56	-102.47
CCNC(=O)C[N@H+]1CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013357041	1	47	0.0	-104.62	362.77	7.68	-96.94
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CC1=CC=CC=C1C[N@@H+]1CCCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013357057	0	47	0.0	-76.36	354.89	10.26	-66.10
CC1=CC=CC=C1C[N@H+]1CCCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013357057	1	47	0.0	-66.91	349.49	10.29	-56.62
CC1=CC=CC=C1C[N@@H+]1CCCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013357058	0	47	0.0	-52.51	353.10	11.48	-41.03
CC1=CC=CC=C1C[N@H+]1CCCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013357058	1	47	0.0	-50.02	352.69	11.24	-38.78
CC1=CC=CC=C1C[N@@H+]1CCCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013357059	0	47	0.0	-66.45	362.99	10.38	-56.07
CC1=CC=CC=C1C[N@H+]1CCCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013357059	1	47	0.0	-66.50	361.11	11.00	-55.50
CC1=CC=CC=C1C[N@@H+]1CCCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013357060	0	47	0.0	-76.36	354.89	10.26	-66.10
CC1=CC=CC=C1C[N@H+]1CCCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013357060	1	47	0.0	-66.91	349.49	10.29	-56.62
CC1=CC=CC=C1C[N@@H+]1CCCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013357061	0	47	0.0	-76.36	354.89	10.26	-66.10
CC1=CC=CC=C1C[N@H+]1CCCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013357061	1	47	0.0	-66.91	349.49	10.29	-56.62
CC1=CC=CC=C1C[N@@H+]1CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013357062	0	50	0.0	-103.00	378.58	12.55	-90.45
CC1=CC=CC=C1C[N@H+]1CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013357062	1	50	0.0	-102.27	378.17	12.74	-89.53
CN1CC[NH+](CCCCNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013357065	0	45	0.0	-68.99	363.83	6.78	-62.21
CN1CC[NH+](CCCCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013357066	0	48	0.0	-102.61	377.01	7.12	-95.49
O=C([O-])C1=CC=CC(NC2CC[NH+](CC3CCCO3)CC2)=N1	REAL300013357074	0	45	0.0	-80.81	342.75	7.20	-73.61
O=C([O-])C1=CC=CN=C1NC1CC[NH+](CC2CCCO2)CC1	REAL300013357075	0	45	0.0	-61.41	339.97	7.94	-53.47
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O=C([O-])C1=CC2=C(NC3CC[NH+](CC4CCCO4)CC3)N=CNC2=N1	REAL300013357079	0	48	0.0	-104.70	372.69	8.55	-96.15
CC(CNC1=NC=C(C(=O)[O-])C=C1Cl)[N@@H+]1CCCCC1C	REAL300013357080	0	43	0.0	-60.25	332.05	8.84	-51.41
CC(CNC1=NC=C(C(=O)[O-])C=C1Cl)[N@H+]1CCCCC1C	REAL300013357080	1	43	0.0	-60.93	326.13	9.17	-51.76
CC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[N@@H+]1CCCCC1C	REAL300013357081	0	46	0.0	-92.86	345.22	9.18	-83.68
CC(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[N@H+]1CCCCC1C	REAL300013357081	1	46	0.0	-93.92	339.43	9.15	-84.77
C[NH+]1CCN(CC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013357094	0	49	0.0	-79.61	386.16	8.09	-71.52
CN1CC[NH+](CC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013357094	1	49	0.0	-78.71	385.63	7.97	-70.74
C[NH+]1CCN(CC2=CC=C(CNC3=NC=CC=C3C(=O)[O-])C=C2)CC1	REAL300013357095	0	49	0.0	-70.51	382.20	8.63	-61.88
CN1CC[NH+](CC2=CC=C(CNC3=NC=CC=C3C(=O)[O-])C=C2)CC1	REAL300013357095	1	49	0.0	-66.67	381.67	8.51	-58.16
C[NH+]1CCN(CC2=CC=C(CNC3=NC=C(C(=O)[O-])C=C3Cl)C=C2)CC1	REAL300013357096	0	49	0.0	-69.52	400.78	8.80	-60.72
CN1CC[NH+](CC2=CC=C(CNC3=NC=C(C(=O)[O-])C=C3Cl)C=C2)CC1	REAL300013357096	1	49	0.0	-71.42	401.14	8.83	-62.59
C[NH+]1CCN(CC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013357097	0	49	0.0	-79.61	386.16	8.09	-71.52
CN1CC[NH+](CC2=CC=C(CNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013357097	1	49	0.0	-78.71	385.63	7.97	-70.74
C[NH+]1CCN(CC2=CC=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C=C2)CC1	REAL300013357098	0	52	0.0	-101.36	414.84	9.29	-92.07
CN1CC[NH+](CC2=CC=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C=C2)CC1	REAL300013357098	1	52	0.0	-98.42	414.31	9.17	-89.25
O=C([O-])C1=CC2=C(NC3CC[N@@H+]4CCCCC34)N=CNC2=N1	REAL300013357115	0	41	0.0	-98.87	318.59	8.83	-90.04
O=C([O-])C1=CC2=C(NC3CC[N@H+]4CCCCC34)N=CNC2=N1	REAL300013357115	1	41	0.0	-98.89	318.47	8.87	-90.02
CN(CC1=NN(C2=CC=CC=C2)C=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013357123	0	39	0.0	-51.57	325.40	9.98	-41.59
CN(C)C1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](C)C)C=C1	REAL300013357130	0	48	0.0	-70.26	366.51	9.68	-60.58
CN(C)C1=CC=C(C(CNC2=NC=CC=C2C(=O)[O-])[NH+](C)C)C=C1	REAL300013357131	0	48	0.0	-60.39	365.48	9.58	-50.81
CN(C)C1=CC=C(C(CNC2=NC=C(C(=O)[O-])C=C2Cl)[NH+](C)C)C=C1	REAL300013357132	0	48	0.0	-65.46	383.82	10.67	-54.79
CN(C)C1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](C)C)C=C1	REAL300013357133	0	48	0.0	-70.26	366.51	9.68	-60.58
CN(C)C1=CC=C(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+](C)C)C=C1	REAL300013357134	0	48	0.0	-70.26	366.51	9.68	-60.58
CN(C)C1=CC=C(C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[NH+](C)C)C=C1	REAL300013357135	0	51	0.0	-107.19	399.16	10.23	-96.96
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013357136	0	50	0.0	-79.44	377.32	10.97	-68.47
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013357136	1	50	0.0	-79.97	384.06	10.98	-68.99
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC1=NC=CC=C1C(=O)[O-]	REAL300013357137	0	50	0.0	-63.54	380.04	11.50	-52.04
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC1=NC=CC=C1C(=O)[O-]	REAL300013357137	1	50	0.0	-62.93	373.30	11.53	-51.40
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013357138	0	50	0.0	-72.91	399.50	11.83	-61.08
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013357138	1	50	0.0	-72.67	392.77	11.83	-60.84
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013357139	0	50	0.0	-79.44	377.32	10.97	-68.47
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013357139	1	50	0.0	-79.97	384.06	10.98	-68.99
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013357140	0	50	0.0	-79.44	377.32	10.97	-68.47
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC1=CC=CC(C(=O)[O-])=N1	REAL300013357140	1	50	0.0	-79.97	384.06	10.98	-68.99
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013357141	0	53	0.0	-102.82	405.96	12.17	-90.65
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013357141	1	53	0.0	-103.54	401.63	11.55	-91.99
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C(=O)NC2CC2)CC1	REAL300013357158	0	41	0.0	-49.45	332.33	4.96	-44.49
COCCN(CCC(=O)[O-])C1=CC(C)=[NH+]C2=CC=C(F)C=C21	REAL300013357184	0	41	0.0	-57.06	336.54	7.09	-49.97
COCCN(CCC(=O)[O-])C1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013357190	0	44	0.0	-57.17	357.40	8.32	-48.85
COCCN(CCC(=O)[O-])C1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013357190	1	44	0.0	-47.06	353.07	8.55	-38.51
COCCN(CCC(=O)[O-])C1=CC(N2CCCCC2)=[NH+]C=N1	REAL300013357204	0	46	0.0	-55.45	353.32	8.64	-46.81
COCCN(CCC(=O)[O-])C1=CC(N2CCCCC2)=NC=[NH+]1	REAL300013357204	1	46	0.0	-44.12	353.74	8.67	-35.45
COCCN(CCC(=O)[O-])C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013357205	0	50	0.0	-58.27	384.94	5.93	-52.34
COCCN(CCC(=O)[O-])C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013357205	1	50	0.0	-42.20	383.66	6.00	-36.20
CCCC1=[NH+]C2=CC=CC=C2C(N(CCOC)CCC(=O)[O-])=C1	REAL300013357206	0	47	0.0	-48.28	373.82	8.59	-39.69
COCCN(CCC(=O)[O-])C1=NC2=CC(OC)=C(OC)C=C2C(N)=[NH+]1	REAL300013357234	0	47	0.0	-63.73	376.45	7.39	-56.34
COCCN(CCC(=O)[O-])C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013357243	0	41	0.0	-55.36	346.25	7.33	-48.03
COCCN(CCC(=O)[O-])C1=CC=[NH+]C2=CC=C(Cl)C=C21	REAL300013357252	1	38	0.0	-57.01	324.43	6.84	-50.17
COCCN(CCC(=O)[O-])C1=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N1	REAL300013357254	1	55	0.0	-51.87	416.53	10.61	-41.26
COCCN(CCC(=O)[O-])C1=CC(N2CCOCC2)=NC=[NH+]1	REAL300013357261	0	44	0.0	-46.19	344.83	6.21	-39.98
COCCN(CCC(=O)[O-])C1=CC(N2CCOCC2)=[NH+]C=N1	REAL300013357261	1	44	0.0	-57.24	344.38	6.19	-51.05
COCCN(CCC(=O)[O-])C1=CC(C)=[NH+]C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300013357267	1	46	0.0	-55.37	386.50	10.75	-44.62
COCCN(CCC(=O)[O-])C1=[NH+]C2=CC(C)=CC=C2C(C)=C1	REAL300013357277	1	44	0.0	-44.14	347.86	9.73	-34.41
COCCN(CCC(=O)[O-])C1=CC=[NH+]C2=CC(Cl)=CC=C21	REAL300013357294	1	38	0.0	-53.34	324.41	6.83	-46.51
COCCN(CCC(=O)[O-])C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013357303	1	38	0.0	-53.50	328.97	6.94	-46.56
COCCN(CCC(=O)[O-])C1=C(C)C(C)=[NH+]C2=CC=C(Br)C=C21	REAL300013357330	0	44	0.0	-52.75	358.25	7.93	-44.82
COCCN(CCC(=O)[O-])C1=CC(N2C=CC=N2)=NC(N)=[NH+]1	REAL300013357357	0	40	0.0	-42.35	333.65	7.88	-34.47
COCCN(CCC(=O)[O-])C1=[NH+]C=CC(N2CCOCC2)=N1	REAL300013357360	0	44	0.0	-61.90	346.98	7.13	-54.77
COCCN(CCC(=O)[O-])C1=CC(C)=[NH+]C2=C(OC)C=CC=C12	REAL300013357365	1	45	0.0	-49.09	358.58	6.44	-42.65
CCOC(=O)C1=C(N(CCOC)CCC(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013357366	1	50	0.0	-60.79	400.99	6.96	-53.83
CCOC(=O)C1=C(N(CCOC)CCC(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013357367	1	53	0.0	-56.48	408.56	10.03	-46.45
CCC1=[NH+]C2=CC=CC=C2C(N(CCOC)CCC(=O)[O-])=C1	REAL300013357372	0	44	0.0	-51.80	351.56	7.75	-44.05
COCCN(CCC(=O)[O-])C1=NC(C(C)C)=[NH+]C(N(C)C)=N1	REAL300013357380	1	47	0.0	-46.28	373.90	12.02	-34.26
COCCN(CCC(=O)[O-])C1=[NH+]C(C(C)C)=NC(N(C)C)=N1	REAL300013357380	1	47	0.0	-43.24	366.30	12.18	-31.06
COCCN(CCC(=O)[O-])C1=CC=[NH+]C(N2CCCCC2)=N1	REAL300013357386	0	46	0.0	-45.41	350.95	9.26	-36.15
CCC1=C(N(CCOC)CCC(=O)[O-])C2=CC=CC=C2[NH+]=C1C	REAL300013357397	0	47	0.0	-49.78	357.48	8.04	-41.74
COCCN(CCC(=O)[O-])C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013357403	0	50	0.0	-42.90	377.63	5.04	-37.86
COCCN(CCC(=O)[O-])C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013357403	1	50	0.0	-56.38	386.40	5.46	-50.92
COCCN(CCC(=O)[O-])C1=CC(C)=[NH+]C2=CC=C([N+](=O)[O-])C=C21	REAL300013357407	0	43	0.0	-65.04	358.18	7.68	-57.36
COCCN(CCC(=O)[O-])C1=C(C)C(C)=[NH+]C2=CC=CC=C21	REAL300013357411	0	44	0.0	-51.36	338.63	7.33	-44.03
COCCN(CCC(=O)[O-])C1=C(C)C=[NH+]C2=C(C)C=CC=C21	REAL300013357418	0	44	0.0	-52.32	338.57	7.56	-44.76
COCCN(CCC(=O)[O-])C1=CC=[NH+]C=C1Br	REAL300013357420	1	32	0.0	-59.03	284.60	4.79	-54.24
COCCN(CCC(=O)[O-])C1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1	REAL300013357421	0	47	0.0	-51.02	370.37	6.66	-44.36
COCCN(CCC(=O)[O-])C1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1	REAL300013357421	1	47	0.0	-50.62	365.45	5.99	-44.63
COCCN(CCC(=O)[O-])C1=CC(NC2CCCOC2C(C)C)=[NH+]C=N1	REAL300013357432	0	56	0.0	-51.01	423.33	9.56	-41.45
COCCN(CCC(=O)[O-])C1=CC(NC2CCCOC2C(C)C)=NC=[NH+]1	REAL300013357432	1	56	0.0	-40.89	416.01	9.34	-31.55
COCCN(CCC(=O)[O-])C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013357451	0	49	0.0	-61.72	398.74	9.33	-52.39
COCCN(CCC(=O)[O-])C1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013357457	1	45	0.0	-41.81	374.19	9.56	-32.25
CCCCNC1=CC(N(CCOC)CCC(=O)[O-])=NC(N)=[NH+]1	REAL300013357464	0	47	0.0	-55.15	374.40	7.78	-47.37
CCCCNC1=CC(N(CCOC)CCC(=O)[O-])=[NH+]C(N)=N1	REAL300013357464	1	47	0.0	-37.78	370.69	7.69	-30.09
COCCN(CCC(=O)[O-])C1=CC=[NH+]C=C1Br	REAL300013357471	1	32	0.0	-59.03	284.60	4.79	-54.24
COCCN(CCC(=O)[O-])C1=NC(NCCO)=[NH+]C(NC(C)C)=N1	REAL300013357476	0	50	0.0	-51.61	401.94	8.58	-43.03
COCCN(CCC(=O)[O-])C1=[NH+]C(NCCO)=NC(NC(C)C)=N1	REAL300013357476	1	50	0.0	-50.42	402.18	8.58	-41.84
COCCN(CCC(=O)[O-])C1=NC(NCCO)=NC(NC(C)C)=[NH+]1	REAL300013357476	1	50	0.0	-49.87	401.51	8.56	-41.31
CCNC1=[NH+]C(NC(C)(C)C)=NC(N(CCOC)CCC(=O)[O-])=N1	REAL300013357489	0	52	0.0	-48.06	401.60	12.52	-35.54
CCNC1=NC(NC(C)(C)C)=NC(N(CCOC)CCC(=O)[O-])=[NH+]1	REAL300013357489	1	52	0.0	-49.03	403.36	12.79	-36.24
CCNC1=NC(NC(C)(C)C)=[NH+]C(N(CCOC)CCC(=O)[O-])=N1	REAL300013357489	1	52	0.0	-48.41	404.97	12.88	-35.53
COCCN(CCC(=O)[O-])C1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1	REAL300013357532	0	50	0.0	-52.02	384.83	5.75	-46.27
COCCN(CCC(=O)[O-])C1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1	REAL300013357532	1	50	0.0	-41.63	381.09	6.33	-35.30
COCCN(CCC(=O)[O-])C1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2	REAL300013357534	1	41	0.0	-47.53	336.07	7.34	-40.19
CCCC1=CC2=C(N(CCOC)CCC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013357537	0	47	0.0	-57.51	373.18	8.64	-48.87
CCC1=CC2=C(N(CCOC)CCC(=O)[O-])C=C[NH+]=C2C=C1	REAL300013357538	0	44	0.0	-57.20	351.06	7.85	-49.35
COCCN(CCC(=O)[O-])C1=CC=[NH+]C2=CC=C(OC(C)C)C=C21	REAL300013357540	0	48	0.0	-58.05	376.96	7.18	-50.87
COCCN(CCC(=O)[O-])C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013357657	1	38	0.0	-56.88	328.99	6.95	-49.93
CCOC1=CC2=[NH+]C=CC(N(CCOC)CCC(=O)[O-])=C2C=C1OCC	REAL300013357675	0	52	0.0	-59.08	410.95	7.53	-51.55
CCC1=CC(N(CCOC)CCC(=O)[O-])=NC(C2=CC=NC=C2)=[NH+]1	REAL300013357677	1	46	0.0	-59.15	375.82	9.00	-50.15
COCCN(CCC(=O)[O-])C1=CC=[NH+]C2=CC(OC)=C(Br)C=C21	REAL300013357714	0	42	0.0	-57.48	357.47	6.33	-51.15
COCCN(CCC(=O)[O-])C1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1	REAL300013357723	0	52	0.0	-60.52	392.35	10.94	-49.58
COCCN(CCC(=O)[O-])C1=C2CCCCC2=[NH+]C2=CC(F)=C(C)C=C21	REAL300013357728	0	51	0.0	-48.73	387.78	9.31	-39.42
COCCN(CCC(=O)[O-])C1=CC(C(F)(F)F)=CC(C)=[NH+]1	REAL300013357731	0	38	0.0	-39.35	321.26	8.02	-31.33
COCCN(CCC(=O)[O-])C1=CC(NC2=CC=CC=C2)=[NH+]C=N1	REAL300013357733	1	43	0.0	-57.40	349.90	9.50	-47.90
COCCN(CCC(=O)[O-])C1=CC=[NH+]C2=CC(OC)=C(OC)C=C21	REAL300013357736	0	46	0.0	-59.21	367.25	5.69	-53.52
COCCN(CCC(=O)[O-])C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013357766	0	47	0.0	-63.46	378.02	10.72	-52.74
COCCN(CCC(=O)[O-])C1=CC(C)=[NH+]C2=C(Cl)C(C)=CC=C12	REAL300013357792	0	44	0.0	-47.47	363.16	8.17	-39.30
COCCN(CCC(=O)[O-])C1=CC(NC2=CC=CC=C2)=[NH+]C(C)=N1	REAL300013357794	0	46	0.0	-52.69	371.84	9.87	-42.82
COCCN(CCC(=O)[O-])C1=CC(NC2=CC=CC=C2)=NC(C)=[NH+]1	REAL300013357794	1	46	0.0	-43.51	371.52	10.12	-33.39
COCCN(CCC(=O)[O-])C1=CC=[NH+]C(C)=C1Br	REAL300013357797	0	35	0.0	-59.45	302.35	5.34	-54.11
COCCN(CCC(=O)[O-])C1=[NH+]C=CC(N(C)C2CCCCC2)=N1	REAL300013357799	0	52	0.0	-57.40	394.13	12.03	-45.37
COCCN(CCC(=O)[O-])C1=[NH+]C(C)=CC(N(C)C(C)C)=N1	REAL300013357800	0	48	0.0	-53.19	373.44	10.75	-42.44
COCCN(CCC(=O)[O-])C1=[NH+]C(C)=CC(N(C)C2=CC=CC=C2)=N1	REAL300013357803	0	49	0.0	-57.51	394.90	11.92	-45.59
COCCN(CCC(=O)[O-])C1=[NH+]C(C)=CC(N2C=CC=N2)=N1	REAL300013357804	1	41	0.0	-55.03	342.31	9.96	-45.07
COCCN(CCC(=O)[O-])C1=CC(C)=[NH+]C(N(C)C(C)C)=N1	REAL300013357807	0	48	0.0	-55.57	373.32	10.82	-44.75
COCCN(CCC(=O)[O-])C1=CC=[NH+]C(N(C)C2CCCCC2)=N1	REAL300013357810	0	52	0.0	-49.37	393.43	12.12	-37.25
COCCN(CCC(=O)[O-])C1=CC(C)=[NH+]C(N(C)C2=CC=CC=C2)=N1	REAL300013357812	1	49	0.0	-59.93	395.20	12.77	-47.16
COCCN(CCC(=O)[O-])C1=C2C=CNC2=NC(C2CC2)=[NH+]1	REAL300013357855	0	42	0.0	-42.82	339.23	6.79	-36.03
COCCN(CCC(=O)[O-])C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013357856	0	42	0.0	-54.76	353.61	6.15	-48.61
COCCN(CCC(=O)[O-])C1=CC(N(C)C)=[NH+]C(N(C)C)=N1	REAL300013357860	1	47	0.0	-46.72	367.24	10.09	-36.63
COCCN(CCC(=O)[O-])C1=CC(N(C)C)=NC(N(C)C)=[NH+]1	REAL300013357860	1	47	0.0	-36.33	364.44	10.15	-26.18
COCCN(CCC(=O)[O-])C1=CC=[NH+]C2=C(Cl)C(C)=CC=C12	REAL300013357867	1	41	0.0	-51.42	341.86	7.59	-43.83
CCOC1=CC=C(CCN(C)C2=[NH+]C=CC=C2C(=O)[O-])C=C1	REAL300013357871	0	42	0.0	-49.69	339.47	9.74	-39.95
C[NH+](C)CCOC1=CC=C(CNC2=CC=CC(C(=O)[O-])=N2)C=C1	REAL300013357886	0	44	0.0	-79.09	357.42	8.43	-70.66
C[NH+](C)CCOC1=CC=C(CNC2=NC=CC=C2C(=O)[O-])C=C1	REAL300013357887	0	44	0.0	-68.53	353.39	8.99	-59.54
C[NH+](C)CCOC1=CC=C(CNC2=NC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300013357888	0	44	0.0	-70.81	372.92	9.30	-61.51
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CC(C)[N@H+]1CCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013358396	1	43	0.0	-100.55	318.59	9.49	-91.06
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CC([NH2+]C(C)(C)CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013358423	0	46	0.0	-70.04	348.18	8.30	-61.74
CC([NH2+]C(C)(C)CNC1=NC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300013358424	0	46	0.0	-45.64	348.73	9.23	-36.41
CC([NH2+]C(C)(C)CNC1=NC=C(C(=O)[O-])C=C1Cl)C1=CC=CC=C1	REAL300013358425	0	46	0.0	-65.41	367.65	9.53	-55.88
CC([NH2+]C(C)(C)CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013358426	0	46	0.0	-70.04	348.18	8.30	-61.74
CC([NH2+]C(C)(C)CNC1=CC=CC(C(=O)[O-])=N1)C1=CC=CC=C1	REAL300013358427	0	46	0.0	-70.04	348.18	8.30	-61.74
CC([NH2+]C(C)(C)CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1=CC=CC=C1	REAL300013358428	0	49	0.0	-97.19	380.82	9.89	-87.30
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CC(NC1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CC[NH+](C)CC1	REAL300013358658	0	43	0.0	-100.91	330.66	8.70	-92.21
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CC1=CC=CC(C2=CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1C	REAL300013358697	0	43	0.0	-50.04	340.07	11.63	-38.41
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C[N@H+]1CCCC(N2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C1	REAL300013358708	1	46	0.0	-81.25	332.57	5.71	-75.54
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C[N@H+]1CCCC(N2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)C1	REAL300013358710	1	46	0.0	-67.79	351.15	6.27	-61.52
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CC1C[N@H+](CC2=CC=CC=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013358793	0	44	0.0	-72.04	333.72	10.01	-62.03
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CC1C[N@H+](CC2=CC=CC=C2)CCN1C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013358794	1	44	0.0	-67.15	361.89	9.91	-57.24
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013358794	1	44	0.0	-67.20	362.15	9.95	-57.25
CC1C[N@H+](CC2=CC=CC=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013358795	0	44	0.0	-72.04	333.72	10.01	-62.03
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013358795	1	44	0.0	-72.05	333.73	10.01	-62.04
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CC1C[N@@H+](CC2=CC=CC=C2)CCN1C1=CC=CC(C(=O)[O-])=N1	REAL300013358796	1	44	0.0	-72.05	333.73	10.01	-62.04
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CC[N@@H+]1CCC(N(C)C2=NC=C(C(=O)[O-])C=C2Cl)CC1C	REAL300013358819	0	43	0.0	-60.59	323.02	8.37	-52.22
CC[N@H+]1CCC(N(C)C2=NC=C(C(=O)[O-])C=C2Cl)CC1C	REAL300013358819	1	43	0.0	-61.46	326.92	7.61	-53.85
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CC(NC1=CC=CC(C(=O)[O-])=N1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013358838	1	48	0.0	-77.42	365.65	8.70	-68.72
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CC[N@@H+]1CCC(N(C)C2=NC=C(C(=O)[O-])C=C2Cl)C(C)C1	REAL300013358843	0	43	0.0	-62.90	328.41	9.08	-53.82
CC[N@H+]1CCC(N(C)C2=NC=C(C(=O)[O-])C=C2Cl)C(C)C1	REAL300013358843	1	43	0.0	-58.79	319.29	8.95	-49.84
CC[N@@H+]1CCC(N(C)C2=C3C=C(C(=O)[O-])N=C3NC=N2)C(C)C1	REAL300013358844	0	46	0.0	-91.69	332.80	9.60	-82.09
CC[N@H+]1CCC(N(C)C2=C3C=C(C(=O)[O-])N=C3NC=N2)C(C)C1	REAL300013358844	1	46	0.0	-101.13	332.02	10.04	-91.09
CC1CC(N(C)C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+]1C	REAL300013358845	0	43	0.0	-94.70	317.78	8.87	-85.83
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C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=NC=CC=C2C(=O)[O-])C1	REAL300013358938	1	44	0.0	-61.17	343.55	10.47	-50.70
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C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013358939	1	44	0.0	-65.99	354.50	10.19	-55.80
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C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=CC=CC(C(=O)[O-])=N2)C1	REAL300013358940	1	44	0.0	-66.53	343.85	9.51	-57.02
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C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=CC=CC(C(=O)[O-])=N2)C1	REAL300013358941	1	44	0.0	-66.53	343.85	9.51	-57.02
C[N@H+](CC1=CC=CC=C1)C1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013358942	0	47	0.0	-105.48	372.42	11.47	-94.01
C[N@@H+](CC1=CC=CC=C1)C1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013358942	1	47	0.0	-105.49	372.61	11.48	-94.01
C[N@H+](CC1CC1)CC1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013358991	0	44	0.0	-69.17	347.94	9.55	-59.62
C[N@@H+](CC1CC1)CC1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013358991	1	44	0.0	-69.16	347.95	9.54	-59.62
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CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC1=CC=CC(C(=O)[O-])=N1	REAL300013359067	1	47	0.0	-84.52	355.89	10.42	-74.10
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC1=NC=CC=C1C(=O)[O-]	REAL300013359068	0	47	0.0	-51.58	352.86	11.24	-40.34
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC1=NC=CC=C1C(=O)[O-]	REAL300013359068	1	47	0.0	-51.60	353.03	11.23	-40.37
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013359069	0	47	0.0	-70.97	377.28	11.73	-59.24
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013359069	1	47	0.0	-70.10	372.93	11.40	-58.70
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC1=CC=CC(C(=O)[O-])=N1	REAL300013359070	0	47	0.0	-84.53	355.90	10.42	-74.11
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC1=CC=CC(C(=O)[O-])=N1	REAL300013359070	1	47	0.0	-84.52	355.89	10.42	-74.10
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC1=CC=CC(C(=O)[O-])=N1	REAL300013359071	0	47	0.0	-84.53	355.90	10.42	-74.11
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC1=CC=CC(C(=O)[O-])=N1	REAL300013359071	1	47	0.0	-84.52	355.89	10.42	-74.10
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013359072	0	50	0.0	-97.95	385.64	11.86	-86.09
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013359072	1	50	0.0	-97.89	385.67	11.87	-86.02
CC(C)[NH+]1CCN(C2CCN(C3=CC=CC(C(=O)[O-])=N3)C2)CC1	REAL300013359104	0	49	0.0	-69.06	359.66	6.77	-62.29
CC(C)N1CC[NH+](C2CCN(C3=CC=CC(C(=O)[O-])=N3)C2)CC1	REAL300013359104	1	49	0.0	-62.28	357.16	6.59	-55.69
CC(C)[NH+]1CCN(C2CCN(C3=NC=CC=C3C(=O)[O-])C2)CC1	REAL300013359105	0	49	0.0	-68.27	355.46	7.39	-60.88
CC(C)[NH+]1CCN(C2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)C2)CC1	REAL300013359106	0	49	0.0	-63.71	373.55	7.17	-56.54
CC(C)[NH+]1CCN(C2CCN(C3=CC=CC(C(=O)[O-])=N3)C2)CC1	REAL300013359107	0	49	0.0	-69.06	359.66	6.77	-62.29
CC(C)N1CC[NH+](C2CCN(C3=CC=CC(C(=O)[O-])=N3)C2)CC1	REAL300013359107	1	49	0.0	-62.28	357.16	6.59	-55.69
CC(C)[NH+]1CCN(C2CCN(C3=CC=CC(C(=O)[O-])=N3)C2)CC1	REAL300013359108	0	49	0.0	-69.06	359.66	6.77	-62.29
CC(C)N1CC[NH+](C2CCN(C3=CC=CC(C(=O)[O-])=N3)C2)CC1	REAL300013359108	1	49	0.0	-62.28	357.16	6.59	-55.69
CC(C)[NH+]1CCN(C2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)CC1	REAL300013359109	0	52	0.0	-102.16	386.84	8.54	-93.62
CC(C)N1CC[NH+](C2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C2)CC1	REAL300013359109	1	52	0.0	-102.70	385.43	8.32	-94.38
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(F)C=C(Br)C=C2C1	REAL300013359111	0	33	0.0	-51.09	295.31	9.77	-41.32
C[NH+](C)CCN(CC1=CC=CC=C1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013359127	0	43	0.0	-71.96	351.89	9.42	-62.54
C[NH+](C)CCN(CC1=CC=CC=C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013359128	0	46	0.0	-86.00	380.31	11.68	-74.32
C[NH+](C)CCN(CC1=CC=CC=C1F)C1=CC=CC(C(=O)[O-])=N1	REAL300013359129	0	43	0.0	-93.66	348.49	11.47	-82.19
C[NH+](C)CCN(CC1=CC=CC=C1F)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013359130	0	43	0.0	-60.35	367.43	9.87	-50.48
C[NH+](C)CCN(CC1=CC=CC=C1F)C1=CC=CC(C(=O)[O-])=N1	REAL300013359131	0	43	0.0	-93.66	348.49	11.47	-82.19
C[NH+](C)CCN(CC1=CC=CC=C1F)C1=CC=CC(C(=O)[O-])=N1	REAL300013359132	0	43	0.0	-93.66	348.49	11.47	-82.19
C[NH+](C)CCN(CC1=CC=CC=C1F)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013359133	0	46	0.0	-81.10	381.50	11.56	-69.54
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359134	0	43	0.0	-65.96	359.34	11.39	-54.57
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013359135	0	43	0.0	-76.96	368.31	9.88	-67.08
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359136	0	43	0.0	-65.96	359.34	11.39	-54.57
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359137	0	43	0.0	-65.96	359.34	11.39	-54.57
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013359138	0	46	0.0	-89.41	397.11	12.19	-77.22
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359139	0	43	0.0	-67.53	355.31	10.99	-56.54
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013359140	0	43	0.0	-58.68	373.13	9.93	-48.75
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359141	0	43	0.0	-67.53	355.31	10.99	-56.54
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359142	0	43	0.0	-67.53	355.31	10.99	-56.54
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013359143	0	46	0.0	-88.86	393.10	11.79	-77.07
C[NH+](C)CCN(CC1=CC=CC(C(F)(F)F)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359144	0	46	0.0	-68.32	381.66	11.89	-56.43
C[NH+](C)CCN(CC1=CC=CC(C(F)(F)F)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359145	0	46	0.0	-68.32	381.66	11.89	-56.43
C[NH+](C)CCN(CC1=CC=CC(C(F)(F)F)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359146	0	46	0.0	-68.32	381.66	11.89	-56.43
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359147	0	43	0.0	-67.47	349.02	10.95	-56.52
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013359148	0	43	0.0	-79.18	358.02	9.44	-69.74
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359149	0	43	0.0	-67.47	349.02	10.95	-56.52
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359150	0	43	0.0	-67.47	349.02	10.95	-56.52
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013359151	0	46	0.0	-90.70	386.80	11.75	-78.95
C[NH+](C)CCN(CC1=CC=CS1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359152	0	40	0.0	-86.18	338.06	10.21	-75.97
C[NH+](C)CCN(CC1=CC=CS1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013359153	0	40	0.0	-72.28	342.52	8.68	-63.60
C[NH+](C)CCN(CC1=CC=CS1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359154	0	40	0.0	-86.18	338.06	10.21	-75.97
C[NH+](C)CCN(CC1=CC=CS1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359155	0	40	0.0	-86.18	338.06	10.21	-75.97
C[NH+](C)CCN(CC1=CC=CS1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013359156	0	43	0.0	-83.01	370.28	10.79	-72.22
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OCC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300013359169	0	43	0.0	-57.08	376.80	11.01	-46.07
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(O)C(F)(F)F)CC1	REAL300013359249	0	36	0.0	-50.55	291.43	5.55	-45.00
COCCOC1=CC=CC=C1N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013359260	0	49	0.0	-50.14	387.36	7.70	-42.44
C[NH+](C)CCN(CC1=CC=CC=N1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359297	0	42	0.0	-59.35	338.05	9.09	-50.26
C[NH+](C)CCN(CC1=CC=CC=N1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013359298	0	42	0.0	-60.07	355.94	7.95	-52.12
C[NH+](C)CCN(CC1=CC=CC=N1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359299	0	42	0.0	-59.35	338.05	9.09	-50.26
C[NH+](C)CCN(CC1=CC=CC=N1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359300	0	42	0.0	-59.35	338.05	9.09	-50.26
C[NH+](C)CCN(CC1=CC=CC=N1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013359301	0	45	0.0	-82.16	375.30	9.85	-72.31
CC(C1=CC=NC=C1)[NH+]1CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013359337	0	46	0.0	-85.97	355.41	8.64	-77.33
CC(C1=CC=NC=C1)[NH+]1CCC(NC2=NC=CC=C2C(=O)[O-])CC1	REAL300013359338	0	46	0.0	-64.96	352.75	9.32	-55.64
CC(C1=CC=NC=C1)[NH+]1CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013359339	0	46	0.0	-71.41	373.04	9.60	-61.81
CC(C1=CC=NC=C1)[NH+]1CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013359340	0	46	0.0	-85.97	355.41	8.64	-77.33
CC(C1=CC=NC=C1)[NH+]1CCC(NC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013359341	0	46	0.0	-85.97	355.41	8.64	-77.33
CC(C1=CC=NC=C1)[NH+]1CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013359342	0	49	0.0	-110.69	386.23	9.92	-100.77
CC1(C)CC[N@H+](CCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013359343	0	43	0.0	-102.35	341.63	8.49	-93.86
CC1(C)CC[N@@H+](CCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013359343	1	43	0.0	-102.35	341.78	8.51	-93.84
CN(C)S(C)(=O)=NCC1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013359359	0	47	0.0	-55.14	373.81	5.35	-49.79
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)C2=CC=C(O)C=C2)CC1	REAL300013359397	0	42	0.0	-64.59	340.81	7.54	-57.05
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=CC=C3NC=NC3=C2)CC1	REAL300013359403	0	43	0.0	-55.42	347.71	8.23	-47.19
CC[NH+](CC)CCN(CCC(F)(F)F)C1=CC=CC(C(=O)[O-])=N1	REAL300013359413	0	45	0.0	-58.29	355.24	10.18	-48.11
CC[NH+](CC)CCN(CCC(F)(F)F)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013359414	0	45	0.0	-64.53	367.96	9.21	-55.32
CC[NH+](CC)CCN(CCC(F)(F)F)C1=CC=CC(C(=O)[O-])=N1	REAL300013359415	0	45	0.0	-58.29	355.24	10.18	-48.11
CC[NH+](CC)CCN(CCC(F)(F)F)C1=CC=CC(C(=O)[O-])=N1	REAL300013359416	0	45	0.0	-58.29	355.24	10.18	-48.11
CC[NH+](CC)CCN(CCC(F)(F)F)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013359417	0	48	0.0	-88.11	391.42	10.89	-77.22
C[N@H+](CC1=CC=CC(C(F)(F)F)=C1)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013359481	0	50	0.0	-81.93	397.77	11.34	-70.59
C[N@@H+](CC1=CC=CC(C(F)(F)F)=C1)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013359481	1	50	0.0	-81.07	397.44	11.31	-69.76
C[N@H+](CC1=CC=CC(C(F)(F)F)=C1)C1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013359482	1	50	0.0	-65.50	397.15	12.18	-53.32
C[N@@H+](CC1=CC=CC(C(F)(F)F)=C1)C1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300013359482	1	50	0.0	-68.92	398.51	12.15	-56.77
C[N@H+](CC1=CC=CC(C(F)(F)F)=C1)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013359483	0	50	0.0	-81.93	397.77	11.34	-70.59
C[N@@H+](CC1=CC=CC(C(F)(F)F)=C1)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013359483	1	50	0.0	-81.07	397.44	11.31	-69.76
C[N@H+](CC1=CC=CC(C(F)(F)F)=C1)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013359484	0	50	0.0	-81.93	397.77	11.34	-70.59
C[N@@H+](CC1=CC=CC(C(F)(F)F)=C1)C1CCN(C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013359484	1	50	0.0	-81.07	397.44	11.31	-69.76
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C(=O)C2=CNC(=O)C=C2)CC1	REAL300013359490	0	40	0.0	-55.67	330.75	5.67	-50.00
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OCC2=CC=CC=C2F)CC1	REAL300013359496	0	43	0.0	-53.35	348.55	10.28	-43.07
O=C([O-])C1=CC=CC(NCC2=CC=[NH+]C(N3CCCCCC3)=C2)=N1	REAL300013359507	1	46	0.0	-70.11	352.13	8.07	-62.04
O=C([O-])C1=CC=CN=C1NCC1=CC=[NH+]C(N2CCCCCC2)=C1	REAL300013359508	1	46	0.0	-50.09	348.02	8.62	-41.47
O=C([O-])C1=CN=C(NCC2=CC=[NH+]C(N3CCCCCC3)=C2)C(Cl)=C1	REAL300013359509	1	46	0.0	-62.48	367.58	8.93	-53.55
O=C([O-])C1=CC=CC(NCC2=CC=[NH+]C(N3CCCCCC3)=C2)=N1	REAL300013359510	1	46	0.0	-70.11	352.13	8.07	-62.04
O=C([O-])C1=CC=CC(NCC2=CC=[NH+]C(N3CCCCCC3)=C2)=N1	REAL300013359511	1	46	0.0	-70.11	352.13	8.07	-62.04
O=C([O-])C1=CC2=C(NCC3=CC=[NH+]C(N4CCCCCC4)=C3)N=CNC2=N1	REAL300013359512	1	49	0.0	-93.82	380.79	9.27	-84.55
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(C2=NN=C(C3CCCCC3)N2)C1	REAL300013359532	0	51	0.0	-60.26	387.87	10.87	-49.39
CC(C1CC[NH+](C)CC1)N(C)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013359537	0	43	0.0	-69.12	332.53	8.61	-60.51
CC(C1CC[NH+](C)CC1)N(C)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013359538	0	46	0.0	-106.37	348.83	10.28	-96.09
O=C([O-])C1=CC=CC(NC2CCC([NH+]3CCCCC3)CC2)=N1	REAL300013359583	0	47	0.0	-79.34	344.70	9.20	-70.14
O=C([O-])C1=CC=CN=C1NC1CCC([NH+]2CCCCC2)CC1	REAL300013359584	0	47	0.0	-63.87	342.18	9.87	-54.00
O=C([O-])C1=CN=C(NC2CCC([NH+]3CCCCC3)CC2)C(Cl)=C1	REAL300013359585	0	47	0.0	-67.53	357.27	10.48	-57.05
O=C([O-])C1=CC=CC(NC2CCC([NH+]3CCCCC3)CC2)=N1	REAL300013359586	0	47	0.0	-79.34	344.70	9.20	-70.14
O=C([O-])C1=CC=CC(NC2CCC([NH+]3CCCCC3)CC2)=N1	REAL300013359587	0	47	0.0	-79.34	344.70	9.20	-70.14
O=C([O-])C1=CC2=C(NC3CCC([NH+]4CCCCC4)CC3)N=CNC2=N1	REAL300013359588	0	50	0.0	-103.05	374.89	10.51	-92.54
C[NH+](C)CCN(CCCC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359589	0	49	0.0	-62.63	387.17	12.53	-50.10
C[NH+](C)CCN(CCCC1=CC=CC=C1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013359590	0	49	0.0	-59.01	404.90	11.50	-47.51
C[NH+](C)CCN(CCCC1=CC=CC=C1)C1=CC=CC(C(=O)[O-])=N1	REAL300013359591	0	49	0.0	-62.63	387.17	12.53	-50.10
C[NH+](C)CCN(CCCC1=CC=CC=C1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013359592	0	52	0.0	-100.77	423.53	13.23	-87.54
CC[N@@H+]1CCC2CCC(C1)N2C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013359604	0	41	0.0	-62.49	308.64	8.99	-53.50
CC[N@H+]1CCC2CCC(C1)N2C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013359604	1	41	0.0	-62.26	313.96	9.07	-53.19
CC[N@@H+]1CCC2CCC(C1)N2C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013359605	0	44	0.0	-95.44	324.81	9.99	-85.45
CC[N@H+]1CCC2CCC(C1)N2C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013359605	1	44	0.0	-101.92	322.54	10.20	-91.72
O=C([O-])C1=CN=C(N2CCCC2C[NH+]2CCCCC2)C(Cl)=C1	REAL300013359633	0	44	0.0	-56.63	337.70	11.36	-45.27
O=C([O-])C1=CC2=C(N3CCCC3C[NH+]3CCCCC3)N=CNC2=N1	REAL300013359634	0	47	0.0	-99.81	357.24	10.50	-89.31
CC1C[NH+](CC2CCCN2C2=CC=CC(C(=O)[O-])=N2)CC(C)O1	REAL300013359635	0	48	0.0	-47.86	354.23	8.71	-39.15
CC1C[NH+](CC2CCCN2C2=NC=C(C(=O)[O-])C=C2Cl)CC(C)O1	REAL300013359636	1	48	0.0	-58.33	373.63	8.44	-49.89
CC1C[NH+](CC2CCCN2C2=CC=CC(C(=O)[O-])=N2)CC(C)O1	REAL300013359637	0	48	0.0	-47.86	354.23	8.71	-39.15
CC1C[NH+](CC2CCCN2C2=CC=CC(C(=O)[O-])=N2)CC(C)O1	REAL300013359638	0	48	0.0	-47.86	354.23	8.71	-39.15
CC1C[NH+](CC2CCCN2C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC(C)O1	REAL300013359639	0	51	0.0	-91.90	377.43	9.41	-82.49
O=C([O-])C1=CC=CC(NC2CC[NH+](CC3=CC=CN=C3)CC2)=N1	REAL300013359654	0	43	0.0	-88.34	340.27	7.90	-80.44
O=C([O-])C1=CC=CN=C1NC1CC[NH+](CC2=CC=CN=C2)CC1	REAL300013359655	0	43	0.0	-68.30	337.47	8.57	-59.73
O=C([O-])C1=CN=C(NC2CC[NH+](CC3=CC=CN=C3)CC2)C(Cl)=C1	REAL300013359656	0	43	0.0	-74.87	356.85	8.90	-65.97
O=C([O-])C1=CC=CC(NC2CC[NH+](CC3=CC=CN=C3)CC2)=N1	REAL300013359657	0	43	0.0	-88.34	340.27	7.90	-80.44
O=C([O-])C1=CC=CC(NC2CC[NH+](CC3=CC=CN=C3)CC2)=N1	REAL300013359658	0	43	0.0	-88.34	340.27	7.90	-80.44
O=C([O-])C1=CC2=C(NC3CC[NH+](CC4=CC=CN=C4)CC3)N=CNC2=N1	REAL300013359659	0	46	0.0	-112.41	370.34	9.23	-103.18
O=C([O-])C1=CC=CC(NCC2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013359674	0	44	0.0	-81.52	349.61	9.67	-71.85
O=C([O-])C1=CC=CC(NCC2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013359674	1	44	0.0	-81.58	350.51	9.65	-71.93
O=C([O-])C1=CC=CN=C1NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013359675	0	44	0.0	-62.01	346.48	10.19	-51.82
O=C([O-])C1=CC=CN=C1NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013359675	1	44	0.0	-62.48	348.03	10.30	-52.18
O=C([O-])C1=CN=C(NCC2CC[N@H+](CC3=CC=CC=C3)C2)C(Cl)=C1	REAL300013359676	0	44	0.0	-70.94	365.94	10.51	-60.43
O=C([O-])C1=CN=C(NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C(Cl)=C1	REAL300013359676	1	44	0.0	-70.68	366.91	10.58	-60.10
O=C([O-])C1=CC=CC(NCC2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013359677	0	44	0.0	-81.52	349.61	9.67	-71.85
O=C([O-])C1=CC=CC(NCC2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013359677	1	44	0.0	-81.58	350.51	9.65	-71.93
O=C([O-])C1=CC=CC(NCC2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300013359678	0	44	0.0	-81.52	349.61	9.67	-71.85
O=C([O-])C1=CC=CC(NCC2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300013359678	1	44	0.0	-81.58	350.51	9.65	-71.93
O=C([O-])C1=CC2=C(NCC3CC[N@H+](CC4=CC=CC=C4)C3)N=CNC2=N1	REAL300013359679	0	47	0.0	-105.60	379.02	10.86	-94.74
O=C([O-])C1=CC2=C(NCC3CC[N@@H+](CC4=CC=CC=C4)C3)N=CNC2=N1	REAL300013359679	1	47	0.0	-105.60	378.20	10.88	-94.72
CCOC1=CC=CC=C1C[N@@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)C(C)C1	REAL300013359689	0	51	0.0	-65.41	391.06	9.97	-55.44
CCOC1=CC=CC=C1C[N@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)C(C)C1	REAL300013359689	1	51	0.0	-68.83	384.68	10.35	-58.48
CCOC1=CC=CC=C1C[N@@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)C(C)C1	REAL300013359691	0	51	0.0	-65.41	391.06	9.97	-55.44
CCOC1=CC=CC=C1C[N@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)C(C)C1	REAL300013359691	1	51	0.0	-68.83	384.68	10.35	-58.48
CCOC1=CC=CC=C1C[N@@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)C(C)C1	REAL300013359692	0	51	0.0	-65.41	391.06	9.97	-55.44
CCOC1=CC=CC=C1C[N@H+]1CCN(C2=CC=CC(C(=O)[O-])=N2)C(C)C1	REAL300013359692	1	51	0.0	-68.83	384.68	10.35	-58.48
CCOC1=CC=CC=C1C[N@@H+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C(C)C1	REAL300013359693	0	54	0.0	-93.47	419.99	11.54	-81.93
CCOC1=CC=CC=C1C[N@H+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C(C)C1	REAL300013359693	1	54	0.0	-96.79	412.93	11.91	-84.88
C[NH+](C)CCN(C1=NC=C(C(=O)[O-])C=C1Cl)C1CCCC1	REAL300013359694	0	43	0.0	-66.26	335.79	8.90	-57.36
C[NH+](C)CCN(C1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CCCC1	REAL300013359695	0	46	0.0	-85.98	353.41	10.16	-75.82
CS(C)(=O)=NS(=O)(=O)N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013359740	0	41	0.0	-71.62	348.59	2.57	-69.05
CC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013359753	0	44	0.0	-69.37	336.54	9.75	-59.62
CC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013359753	1	44	0.0	-74.04	342.09	9.08	-64.96
CC1CN(C2=NC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013359754	0	44	0.0	-53.64	335.40	10.57	-43.07
CC1CN(C2=NC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013359754	1	44	0.0	-52.05	341.59	10.47	-41.58
CC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@@H+]1CC1=CC=CC=C1	REAL300013359755	1	44	0.0	-63.33	355.10	10.32	-53.01
CC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@H+]1CC1=CC=CC=C1	REAL300013359755	1	44	0.0	-62.90	359.37	10.29	-52.61
CC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013359756	0	44	0.0	-69.37	336.54	9.75	-59.62
CC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013359756	1	44	0.0	-74.04	342.09	9.08	-64.96
CC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013359757	0	44	0.0	-69.37	336.54	9.75	-59.62
CC1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013359757	1	44	0.0	-74.04	342.09	9.08	-64.96
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013359758	0	47	0.0	-97.88	361.92	11.49	-86.39
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013359758	1	47	0.0	-98.53	366.20	11.41	-87.12
CN(CC(F)(F)F)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013359781	0	40	0.0	-54.36	316.28	6.89	-47.47
CC1=NC2=CC=CN=C2N1C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013359787	0	44	0.0	-65.18	349.53	10.33	-54.85
COC1=CC=C(CCN(C)C2=[NH+]C=CC=C2C(=O)[O-])C=C1Br	REAL300013359793	0	39	0.0	-52.98	338.04	9.48	-43.50
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=C(F)C=NC=C2F)CC1	REAL300013359798	0	37	0.0	-50.08	306.29	6.38	-43.70
C[C@@H]1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013359826	0	44	0.0	-76.35	337.41	9.23	-67.12
C[C@@H]1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013359826	1	44	0.0	-69.49	341.29	9.60	-59.89
C[C@@H]1CN(C2=NC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013359827	0	44	0.0	-53.45	335.21	10.57	-42.88
C[C@@H]1CN(C2=NC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013359827	1	44	0.0	-52.09	340.74	10.51	-41.58
C[C@@H]1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@@H+]1CC1=CC=CC=C1	REAL300013359828	1	44	0.0	-63.30	355.10	10.32	-52.98
C[C@@H]1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@H+]1CC1=CC=CC=C1	REAL300013359828	1	44	0.0	-63.04	359.37	10.31	-52.73
C[C@@H]1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013359829	0	44	0.0	-76.35	337.41	9.23	-67.12
C[C@@H]1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013359829	1	44	0.0	-69.49	341.29	9.60	-59.89
C[C@@H]1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013359830	0	44	0.0	-76.35	337.41	9.23	-67.12
C[C@@H]1CN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013359830	1	44	0.0	-69.49	341.29	9.60	-59.89
C[C@@H]1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013359831	0	47	0.0	-97.98	361.94	11.48	-86.50
C[C@@H]1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300013359831	1	47	0.0	-98.54	366.10	11.41	-87.13
CCC(C)[NH+]1CCC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013359834	0	43	0.0	-64.83	334.60	8.90	-55.93
CCC(C)[NH+]1CCC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013359835	0	46	0.0	-101.92	348.24	9.27	-92.65
CCOC(=O)C1(COC)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013359847	0	45	0.0	-43.11	351.54	8.65	-34.46
COC1=CC=CC=C1N1CCCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013359885	0	45	0.0	-46.55	343.37	8.61	-37.94
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=CSC(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300013359904	0	45	0.0	-49.78	389.61	11.79	-37.99
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OC2=CC(F)=CC(F)=C2)C1	REAL300013359923	0	37	0.0	-53.62	312.88	8.80	-44.82
NS(=O)(=O)C1=CC=CC(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=C1	REAL300013359932	0	44	0.0	-56.58	361.74	5.40	-51.18
CCOC(=O)C1(CC(F)F)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013359941	0	44	0.0	-56.54	346.72	9.63	-46.91
C[NH+](C)C1CCC2CN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2C1	REAL300013359954	0	44	0.0	-65.01	329.75	8.97	-56.04
C[NH+](C)C1CCC2CN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2C1	REAL300013359955	0	47	0.0	-104.17	345.01	10.26	-93.91
COC(=O)C1CN(C2=[NH+]C=CC=C2C(=O)[O-])CC1C(=O)OC	REAL300013359957	1	38	0.0	-43.29	315.42	7.55	-35.74
O=C([O-])[C@]12CN(C3=CC=[NH+]C4=CC=CC=C43)C[C@H]1C1=CC=CC=C1OC2	REAL300013359996	0	44	0.0	-63.67	339.33	8.94	-54.73
CC1=[NH+]C2=CC=C(F)C=C2C(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=C1	REAL300013360002	0	47	0.0	-63.78	367.19	9.60	-54.18
CCC1=[NH+]C(C)=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013360008	1	46	0.0	-62.37	359.95	8.69	-53.68
O=C([O-])[C@]12CN(C3=CC(N4CCSCC4)=NC=[NH+]3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360013	0	50	0.0	-56.03	385.34	10.06	-45.97
O=C([O-])[C@]12CN(C3=CC(N4CCSCC4)=[NH+]C=N3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360013	1	50	0.0	-65.85	390.78	9.37	-56.48
O=C([O-])[C@]12CN(C3=CC(NCC4CC4)=[NH+]C=N3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360025	0	49	0.0	-66.39	383.49	9.70	-56.69
O=C([O-])[C@]12CN(C3=CC(NCC4CC4)=NC=[NH+]3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360025	1	49	0.0	-53.04	378.02	9.75	-43.29
CC1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=CC=[NH+]1	REAL300013360032	0	41	0.0	-64.71	315.29	7.40	-57.31
O=C([O-])[C@]12CN(C3=CC(N4CCCC4)=[NH+]C=N3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360038	0	49	0.0	-62.08	374.90	8.82	-53.26
O=C([O-])[C@]12CN(C3=CC(N4CCCC4)=NC=[NH+]3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360038	1	49	0.0	-54.36	370.21	8.98	-45.38
O=C([O-])[C@]12CN(C3=CC(N4CCCCC4)=[NH+]C=N3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360039	0	52	0.0	-63.35	390.00	9.76	-53.59
O=C([O-])[C@]12CN(C3=CC(N4CCCCC4)=NC=[NH+]3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360039	1	52	0.0	-53.94	387.04	9.74	-44.20
CCCC1=[NH+]C2=CC=CC=C2C(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=C1	REAL300013360041	0	53	0.0	-56.16	400.38	10.93	-45.23
O=C([O-])[C@]12CN(C3=CC=[NH+]C=C3Cl)C[C@H]1C1=CC=CC=C1OC2	REAL300013360049	1	38	0.0	-69.60	307.38	7.19	-62.41
CC1=CC=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=[NH+]1	REAL300013360061	1	41	0.0	-55.36	317.40	8.04	-47.32
CC1=CC=[NH+]C(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=C1	REAL300013360090	1	41	0.0	-55.38	316.30	8.58	-46.80
O=C([O-])[C@]12CN(C3=CC=[NH+]C4=CC=C(Cl)C=C43)C[C@H]1C1=CC=CC=C1OC2	REAL300013360101	1	44	0.0	-67.97	356.15	9.46	-58.51
O=C([O-])[C@]12CN(C3=CC(C(F)(F)F)=CC=[NH+]3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360103	1	41	0.0	-58.52	333.86	8.90	-49.62
O=C([O-])[C@]12CN(C3=CC(N4CCOCC4)=NC=[NH+]3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360114	0	50	0.0	-56.49	378.57	7.30	-49.19
O=C([O-])[C@]12CN(C3=CC(N4CCOCC4)=[NH+]C=N3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360114	1	50	0.0	-65.05	381.09	7.32	-57.73
CC1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=NC(C)=[NH+]1	REAL300013360120	1	43	0.0	-62.66	339.66	7.90	-54.76
CC1=CC2=[NH+]C(N3C[C@H]4C5=CC=CC=C5OC[C@@]4(C(=O)[O-])C3)=CC(C)=C2C=C1	REAL300013360150	1	50	0.0	-49.76	380.11	11.25	-38.51
O=C([O-])[C@]12CN(C3=CC=[NH+]C4=CC(Cl)=CC=C43)C[C@H]1C1=CC=CC=C1OC2	REAL300013360175	1	44	0.0	-63.60	356.01	9.44	-54.16
CN(C)C1=[NH+]C=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013360193	0	45	0.0	-66.53	349.59	9.92	-56.61
CCC1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=NC(C)=[NH+]1	REAL300013360209	1	46	0.0	-62.70	360.35	8.88	-53.82
O=C([O-])[C@]12CN(C3=C4SC=CC4=[NH+]C=C3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360216	1	41	0.0	-64.58	330.42	7.99	-56.59
CC1=[NH+]C(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=C2C=CNC2=N1	REAL300013360225	0	44	0.0	-51.68	341.98	8.58	-43.10
CC1=C(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1	REAL300013360227	0	47	0.0	-63.29	346.91	8.61	-54.68
CC(O)CNC1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=NC=[NH+]1	REAL300013360233	0	49	0.0	-67.15	384.09	5.64	-61.51
CC(O)CNC1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=[NH+]C=N1	REAL300013360233	1	49	0.0	-54.69	378.79	5.62	-49.07
NC1=[NH+]C(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=CC(N2C=CC=N2)=N1	REAL300013360240	0	46	0.0	-52.80	367.04	8.95	-43.85
CN(C)C1=CC=[NH+]C(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013360243	0	45	0.0	-62.55	348.34	9.51	-53.04
O=C([O-])[C@]12CN(C3=[NH+]C=CC(N4CCOCC4)=N3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360248	0	50	0.0	-66.75	382.05	7.88	-58.87
COC1=CC=CC2=C(N3C[C@H]4C5=CC=CC=C5OC[C@@]4(C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013360256	1	51	0.0	-55.12	389.10	8.96	-46.16
CCC1=[NH+]C2=CC=CC=C2C(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=C1	REAL300013360267	0	50	0.0	-56.23	378.87	10.15	-46.08
O=C([O-])[C@]12CN(C3=CC(C(F)(F)F)=CC=[NH+]3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360270	1	41	0.0	-58.52	333.86	8.90	-49.62
CC(C)C1=[NH+]C(N(C)C)=NC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013360280	1	53	0.0	-56.28	404.63	12.80	-43.48
CC(C)C1=NC(N(C)C)=NC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=[NH+]1	REAL300013360280	1	53	0.0	-51.87	406.96	12.88	-38.99
O=C([O-])[C@]12CN(C3=CC=[NH+]C(N4CCCCC4)=N3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360289	0	52	0.0	-64.76	391.57	10.29	-54.47
NC(=O)C1=C[NH+]=CC=C1N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013360296	0	42	0.0	-85.58	327.08	4.31	-81.27
CCC1=C(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013360298	0	53	0.0	-58.84	379.95	9.43	-49.41
CC1=CC2=CC=CC=C2C(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=[NH+]1	REAL300013360300	0	47	0.0	-50.69	357.62	10.61	-40.08
CC1=[NH+]C=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=C1Cl	REAL300013360301	0	41	0.0	-67.06	329.30	7.78	-59.28
CC1=[NH+]C2=CC=CC=C2C(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=C1C	REAL300013360315	0	50	0.0	-60.97	362.83	9.66	-51.31
CC1=C2[NH+]=CC(C)=C(N3C[C@H]4C5=CC=CC=C5OC[C@@]4(C(=O)[O-])C3)C2=CC=C1	REAL300013360323	0	50	0.0	-65.51	365.85	10.06	-55.45
O=C([O-])[C@]12CN(C3=CC=[NH+]C=C3Br)C[C@H]1C1=CC=CC=C1OC2	REAL300013360324	1	38	0.0	-69.02	310.87	7.30	-61.72
CC1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=CC=[NH+]1	REAL300013360336	0	41	0.0	-64.71	315.29	7.40	-57.31
CCOC(=O)C1=C[NH+]=CC=C1N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013360340	1	47	0.0	-78.60	368.74	9.00	-69.60
CC1=C[NH+]=CC=C1N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013360353	0	41	0.0	-66.29	311.76	7.07	-59.22
CCCCNC1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013360371	0	53	0.0	-62.57	409.61	9.05	-53.52
CCCCNC1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013360371	1	53	0.0	-49.75	404.50	9.12	-40.63
O=C([O-])[C@]12CN(C3=CC=[NH+]C=C3Br)C[C@H]1C1=CC=CC=C1OC2	REAL300013360376	1	38	0.0	-69.02	310.87	7.30	-61.72
O=C([O-])[C@]12CN(C3=CC(C(F)(F)F)=CC=[NH+]3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360387	1	41	0.0	-58.52	333.86	8.90	-49.62
O=C([O-])[C@]12CN(C3=[NH+]C=NC4=C3C3=C(C=CC=C3)N4)C[C@H]1C1=CC=CC=C1OC2	REAL300013360440	1	47	0.0	-55.96	362.19	10.60	-45.36
CCCC1=CC2=C(N3C[C@H]4C5=CC=CC=C5OC[C@@]4(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013360444	0	53	0.0	-64.42	403.78	11.14	-53.28
CCC1=CC2=C(N3C[C@H]4C5=CC=CC=C5OC[C@@]4(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013360445	0	50	0.0	-64.31	382.28	10.36	-53.95
O=C([O-])[C@]12CN(C3=CC(NC4CC4)=[NH+]C=N3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360451	0	46	0.0	-65.43	361.61	8.99	-56.44
O=C([O-])[C@]12CN(C3=CC(NC4CC4)=NC=[NH+]3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360451	1	46	0.0	-54.43	357.04	8.61	-45.82
CC1=[NH+]C2=CC=CC=C2C(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=C1	REAL300013360478	0	47	0.0	-57.78	357.48	9.41	-48.37
O=C([O-])[C@]12CN(C3=C4C=CNC4=NC=[NH+]3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360517	0	41	0.0	-54.16	322.47	8.41	-45.75
CC(C)C1=[NH+]C=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013360537	1	46	0.0	-67.87	355.56	8.61	-59.26
O=C([O-])[C@]12CN(C3=[NH+]C=CC(N4CCCC4)=N3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360538	0	49	0.0	-64.17	373.19	9.55	-54.62
CC1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=NC=[NH+]1	REAL300013360542	1	40	0.0	-67.40	317.32	8.25	-59.15
O=C([O-])[C@]12CN(C3=CC=[NH+]C4=CC(F)=CC=C43)C[C@H]1C1=CC=CC=C1OC2	REAL300013360553	0	44	0.0	-63.94	345.71	9.02	-54.92
CC1=CC2=C(N3C[C@H]4C5=CC=CC=C5OC[C@@]4(C(=O)[O-])C3)[NH+]=CC=C2C=C1	REAL300013360570	1	47	0.0	-52.96	362.03	10.99	-41.97
CC1=CC=CC2=C(N3C[C@H]4C5=CC=CC=C5OC[C@@]4(C(=O)[O-])C3)[NH+]=CC=C12	REAL300013360571	1	47	0.0	-52.94	358.65	10.72	-42.22
CC1=CC(C(F)(F)F)=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=[NH+]1	REAL300013360578	0	44	0.0	-53.68	355.37	9.47	-44.21
O=C([O-])[C@]12CN(C3=CC(NC4=CC=CC=C4)=[NH+]C=N3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360580	1	49	0.0	-65.82	385.13	10.77	-55.05
COC1=C(N)[NH+]=CN=C1N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013360604	0	43	0.0	-68.87	341.71	5.81	-63.06
COC1=C(N)N=C[NH+]=C1N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013360604	1	43	0.0	-56.75	337.75	5.65	-51.10
O=C([O-])[C@]12CN(C3=C4SC=CC4=[NH+]C=C3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360614	1	41	0.0	-64.58	330.42	7.99	-56.59
COC1=CC=C[NH+]=C1N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013360623	1	42	0.0	-63.36	325.28	7.05	-56.31
O=C([O-])[C@]12CN(C3=CC=[NH+]C(CO)=C3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360624	0	42	0.0	-68.29	326.83	3.90	-64.39
CC1=[NH+]C=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=C1Br	REAL300013360663	0	41	0.0	-66.46	333.12	7.91	-58.55
CN(C)C1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=NC=[NH+]1	REAL300013360664	0	45	0.0	-64.50	345.72	9.53	-54.97
CN(C)C1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=[NH+]C=N1	REAL300013360664	1	45	0.0	-52.92	343.64	9.32	-43.60
CC1=CC(N(C)C(C)C)=NC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=[NH+]1	REAL300013360665	0	54	0.0	-57.67	408.71	11.50	-46.17
CC1=CC(N2C=CC=N2)=NC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=[NH+]1	REAL300013360668	1	47	0.0	-59.04	378.00	10.67	-48.37
CC1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013360670	0	54	0.0	-61.09	408.94	12.11	-48.98
CC1=CC=CC2=CC=[NH+]C(N3C[C@H]4C5=CC=CC=C5OC[C@@]4(C(=O)[O-])C3)=C12	REAL300013360702	1	47	0.0	-52.10	353.20	12.60	-39.50
CC1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=NC=[NH+]1	REAL300013360715	1	40	0.0	-67.40	317.32	8.25	-59.15
O=C([O-])[C@]12CN(C3=CC(CO)=CC=[NH+]3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360724	1	42	0.0	-58.23	329.21	4.77	-53.46
O=C([O-])[C@]12CN(C3=C4C=CNC4=NC(C4CC4)=[NH+]3)C[C@H]1C1=CC=CC=C1OC2	REAL300013360728	0	48	0.0	-48.31	370.41	10.18	-38.13
CN(C)C1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=NC(N(C)C)=[NH+]1	REAL300013360734	1	53	0.0	-57.52	403.84	11.31	-46.21
CN(C)C1=CC(N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=[NH+]C(N(C)C)=N1	REAL300013360734	1	53	0.0	-47.04	398.83	11.62	-35.42
CC1=C(Cl)C2=[NH+]C=CC(N3C[C@H]4C5=CC=CC=C5OC[C@@]4(C(=O)[O-])C3)=C2C=C1	REAL300013360740	1	47	0.0	-56.68	369.18	9.99	-46.69
CC1=CC(OCCN(C)C2=[NH+]C=CC=C2C(=O)[O-])=CC(C)=C1	REAL300013360748	0	42	0.0	-55.85	338.61	9.96	-45.89
CCN1CCN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+](CC)CC1	REAL300013360753	0	48	0.0	-70.53	313.15	8.33	-62.20
CCN1CCN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+](CC)CC1	REAL300013360753	1	48	0.0	-76.27	314.39	8.42	-67.85
CCN1CCN(C2=NC=CC=C2C(=O)[O-])CC[N@H+](CC)CC1	REAL300013360754	0	48	0.0	-48.17	311.56	9.26	-38.91
CCN1CCN(C2=NC=CC=C2C(=O)[O-])CC[N@@H+](CC)CC1	REAL300013360754	1	48	0.0	-48.88	310.45	9.19	-39.69
CCN1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@H+](CC)CC1	REAL300013360755	0	48	0.0	-61.33	341.34	9.84	-51.49
CCN1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC[N@@H+](CC)CC1	REAL300013360755	1	48	0.0	-64.27	348.72	7.17	-57.10
CCN1CCN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+](CC)CC1	REAL300013360756	0	48	0.0	-70.53	313.15	8.33	-62.20
CCN1CCN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+](CC)CC1	REAL300013360756	1	48	0.0	-76.27	314.39	8.42	-67.85
CCN1CCN(C2=CC=CC(C(=O)[O-])=N2)CC[N@H+](CC)CC1	REAL300013360757	0	48	0.0	-70.53	313.15	8.33	-62.20
CCN1CCN(C2=CC=CC(C(=O)[O-])=N2)CC[N@@H+](CC)CC1	REAL300013360757	1	48	0.0	-76.27	314.39	8.42	-67.85
CCN1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+](CC)CC1	REAL300013360758	0	51	0.0	-103.56	367.52	8.20	-95.36
CCN1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+](CC)CC1	REAL300013360758	1	51	0.0	-92.94	340.33	9.40	-83.54
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=NC3=CC=C(Cl)C=C3S2)CC1	REAL300013360760	0	40	0.0	-51.90	352.00	9.14	-42.76
O=C([O-])C1=CN=C(NC2CCN(C3=CC=[NH+]C=C3)CC2)C(Cl)=C1	REAL300013360781	0	40	0.0	-67.16	333.77	6.94	-60.22
O=C([O-])C1=CC2=C(NC3CCN(C4=CC=[NH+]C=C4)CC3)N=CNC2=N1	REAL300013360782	0	43	0.0	-103.07	346.96	7.28	-95.79
O=C([O-])C1=CC=C[NH+]=C1N1CC2=CC=CC=C2C(C(F)(F)F)C1	REAL300013360827	0	36	0.0	-49.10	300.93	9.81	-39.29
CCC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+](C)C1	REAL300013360848	0	43	0.0	-106.62	325.45	9.74	-96.88
CCC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+](C)C1	REAL300013360848	1	43	0.0	-96.96	311.15	8.92	-88.04
CC(C)[NH+]1CCN(C(C)(C)CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013360849	0	51	0.0	-69.55	367.31	6.95	-62.60
CC(C)N1CC[NH+](C(C)(C)CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013360849	1	51	0.0	-68.56	361.06	6.54	-62.02
CC(C)[NH+]1CCN(C(C)(C)CNC2=NC=CC=C2C(=O)[O-])CC1	REAL300013360850	0	51	0.0	-56.57	367.07	7.54	-49.03
CC(C)N1CC[NH+](C(C)(C)CNC2=NC=CC=C2C(=O)[O-])CC1	REAL300013360850	1	51	0.0	-45.05	360.84	7.10	-37.95
CC(C)[NH+]1CCN(C(C)(C)CNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013360851	0	51	0.0	-65.13	383.01	7.90	-57.23
CC(C)[NH+]1CCN(C(C)(C)CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013360852	0	51	0.0	-69.55	367.31	6.95	-62.60
CC(C)N1CC[NH+](C(C)(C)CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013360852	1	51	0.0	-68.56	361.06	6.54	-62.02
CC(C)[NH+]1CCN(C(C)(C)CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013360853	0	51	0.0	-69.55	367.31	6.95	-62.60
CC(C)N1CC[NH+](C(C)(C)CNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013360853	1	51	0.0	-68.56	361.06	6.54	-62.02
CC(C)[NH+]1CCN(C(C)(C)CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013360854	0	54	0.0	-92.15	396.19	8.25	-83.90
CC(C)N1CC[NH+](C(C)(C)CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013360854	1	54	0.0	-93.53	389.74	7.73	-85.80
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CC(C)C1=[NH+]C(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=NC(N(C)C)=N1	REAL300013361101	1	49	0.0	-31.55	406.21	14.75	-16.80
CC(C)C1=NC(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013361101	1	49	0.0	-42.91	405.94	14.81	-28.10
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CC1=[NH+]C=CC(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=C1Cl	REAL300013361115	0	37	0.0	-44.14	332.25	9.29	-34.85
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CC1=CC(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=CC=[NH+]1	REAL300013361142	0	37	0.0	-44.91	320.49	8.76	-36.15
CCCCNC1=CC(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=[NH+]C(N)=N1	REAL300013361165	0	49	0.0	-39.38	408.47	10.25	-29.13
CCCCNC1=CC(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=NC(N)=[NH+]1	REAL300013361165	1	49	0.0	-42.50	408.54	10.26	-32.24
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CN(C1=CC=CC=C1)C1=CC(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=[NH+]C=N1	REAL300013361204	1	48	0.0	-47.38	407.25	13.06	-34.32
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CCC1=CC2=C(NC(CC3=CC=C([N+](=O)[O-])C=C3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013361229	0	46	0.0	-42.27	384.13	11.80	-30.47
CC(C)OC1=CC2=C(NC(CC3=CC=C([N+](=O)[O-])C=C3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013361232	0	50	0.0	-45.11	411.18	11.21	-33.90
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CC1(C)CCCN(C2=CC=[NH+]C(NC(CC3=CC=C([N+](=O)[O-])C=C3)C(=O)[O-])=N2)C1	REAL300013361348	0	54	0.0	-36.99	426.23	13.50	-23.49
CC1=CC(C(F)(F)F)=CC(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=[NH+]1	REAL300013361352	1	40	0.0	-44.27	358.81	10.61	-33.66
COC1=CC2=[NH+]C=CC(NC(CC3=CC=C([N+](=O)[O-])C=C3)C(=O)[O-])=C2C=C1OC	REAL300013361356	0	48	0.0	-45.34	400.27	9.66	-35.68
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CC1=[NH+]C(NC2=CC=CC=C2)=CC(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=N1	REAL300013361412	1	48	0.0	-39.27	405.13	12.36	-26.91
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CC1=[NH+]C=CC(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=C1Br	REAL300013361414	0	37	0.0	-44.05	335.83	9.39	-34.66
CN(C)C1=CC(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=[NH+]C=N1	REAL300013361416	0	41	0.0	-43.18	348.24	10.44	-32.74
CN(C)C1=CC(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=NC=[NH+]1	REAL300013361416	1	41	0.0	-45.29	345.18	10.43	-34.86
CN(C1=CC=[NH+]C(NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=N1)C1CCCCC1	REAL300013361417	0	54	0.0	-36.83	427.54	14.64	-22.19
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C[N@H+]1[C@@H](CO)C[C@@H]2CN(C3=NC=C(C(=O)[O-])C=C3Cl)C[C@@H]21	REAL300013361550	1	39	0.0	-63.72	307.99	3.63	-60.09
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C[C@@H]21	REAL300013361551	0	42	0.0	-103.92	321.04	5.33	-98.59
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)C[C@@H]21	REAL300013361551	1	42	0.0	-98.77	316.85	5.64	-93.13
COCC(C[NH+]1CCOCC1)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013361553	1	45	0.0	-99.66	359.55	5.99	-93.67
CN(CCC[NH+]1CCOCC1)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013361562	1	41	0.0	-66.12	336.38	6.49	-59.63
CN(CCC[NH+]1CCOCC1)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013361563	1	44	0.0	-108.29	345.85	8.02	-100.27
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CN1C=[NH+]C=C1C1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013361640	1	39	0.0	-65.07	329.97	9.36	-55.71
CN1C=[NH+]C=C1C1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013361641	1	42	0.0	-99.21	336.91	10.62	-88.59
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COC1=CC=C(Br)C2=C1CCN(C1=[NH+]C=CC=C1C(=O)[O-])C2	REAL300013361659	0	37	0.0	-39.16	302.80	8.03	-31.13
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC(Cl)=CC(F)=C2C1	REAL300013361664	0	33	0.0	-49.73	290.62	9.64	-40.09
CN(C1=NC=C(C(=O)[O-])C=C1Cl)C1CC[NH+](C(C)(C)C)CC1	REAL300013361669	0	46	0.0	-60.19	343.23	8.85	-51.34
CN(C1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300013361670	0	49	0.0	-99.53	357.60	10.08	-89.45
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC(F)=CC(Cl)=C2C1	REAL300013361674	0	33	0.0	-49.49	289.06	9.58	-39.91
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(CC2=CC=C(O)C=C2)C1	REAL300013361684	0	43	0.0	-55.20	339.84	8.35	-46.85
CO[C@@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300013361689	0	48	0.0	-72.21	379.91	9.06	-63.15
CO[C@@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300013361689	1	48	0.0	-78.36	376.40	8.30	-70.06
CO[C@@H]1C[C@@H](CNC2=NC=CC=C2C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300013361690	0	48	0.0	-55.53	379.84	9.34	-46.19
CO[C@@H]1C[C@@H](CNC2=NC=CC=C2C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300013361690	1	48	0.0	-54.03	372.39	8.83	-45.20
CO[C@@H]1C[C@@H](CNC2=NC=C(C(=O)[O-])C=C2Cl)[N@H+](CC2=CC=CC=C2)C1	REAL300013361691	0	48	0.0	-66.45	399.51	9.66	-56.79
CO[C@@H]1C[C@@H](CNC2=NC=C(C(=O)[O-])C=C2Cl)[N@@H+](CC2=CC=CC=C2)C1	REAL300013361691	1	48	0.0	-64.22	391.83	9.16	-55.06
CO[C@@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300013361692	0	48	0.0	-72.21	379.91	9.06	-63.15
CO[C@@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300013361692	1	48	0.0	-78.36	376.40	8.30	-70.06
CO[C@@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300013361693	0	48	0.0	-72.21	379.91	9.06	-63.15
CO[C@@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300013361693	1	48	0.0	-78.36	376.40	8.30	-70.06
CO[C@@H]1C[C@@H](CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300013361694	0	51	0.0	-97.68	408.05	10.13	-87.55
CO[C@@H]1C[C@@H](CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300013361694	1	51	0.0	-103.27	405.00	9.49	-93.78
CN(C1=NC=C(C(=O)[O-])C=C1Cl)C1CC[NH+](C2CC2)CC1	REAL300013361702	0	41	0.0	-60.49	324.71	9.04	-51.45
CN(C1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CC[NH+](C2CC2)CC1	REAL300013361703	0	44	0.0	-101.04	340.08	10.08	-90.96
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC(Br)=CC(Cl)=C2C1	REAL300013361722	0	33	0.0	-49.03	303.95	10.12	-38.91
CC1=CC(Cl)=C2CN(C3=[NH+]C=CC=C3C(=O)[O-])CCC2=C1	REAL300013361728	0	36	0.0	-48.86	304.16	10.18	-38.68
CO[C@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300013361759	0	48	0.0	-72.76	377.18	8.81	-63.95
CO[C@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300013361759	1	48	0.0	-80.14	376.33	8.29	-71.85
CO[C@H]1C[C@@H](CNC2=NC=CC=C2C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300013361760	0	48	0.0	-49.60	376.41	9.36	-40.24
CO[C@H]1C[C@@H](CNC2=NC=CC=C2C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300013361760	1	48	0.0	-55.54	372.38	8.84	-46.70
CO[C@H]1C[C@@H](CNC2=NC=C(C(=O)[O-])C=C2Cl)[N@H+](CC2=CC=CC=C2)C1	REAL300013361761	0	48	0.0	-65.77	392.22	9.73	-56.04
CO[C@H]1C[C@@H](CNC2=NC=C(C(=O)[O-])C=C2Cl)[N@@H+](CC2=CC=CC=C2)C1	REAL300013361761	1	48	0.0	-67.12	391.91	9.15	-57.97
CO[C@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300013361762	0	48	0.0	-72.76	377.18	8.81	-63.95
CO[C@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300013361762	1	48	0.0	-80.14	376.33	8.29	-71.85
CO[C@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300013361763	0	48	0.0	-72.76	377.18	8.81	-63.95
CO[C@H]1C[C@@H](CNC2=CC=CC(C(=O)[O-])=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300013361763	1	48	0.0	-80.14	376.33	8.29	-71.85
CO[C@H]1C[C@@H](CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300013361764	0	51	0.0	-103.56	411.10	9.89	-93.67
CO[C@H]1C[C@@H](CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300013361764	1	51	0.0	-105.07	405.27	9.51	-95.56
CCOC(=O)CC1=CSC(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013361788	0	47	0.0	-54.69	393.86	9.90	-44.79
O=C([O-])C1=CC=CC(N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=C(F)C=C2)=N1	REAL300013361797	0	51	0.0	-89.60	413.95	12.62	-76.98
O=C([O-])C1=CC=CC(N[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=C(F)C=C2)=N1	REAL300013361797	1	51	0.0	-91.70	412.27	12.64	-79.06
O=C([O-])C1=CC=CC(N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=C(F)C=C2)=N1	REAL300013361798	0	51	0.0	-89.60	413.95	12.62	-76.98
O=C([O-])C1=CC=CC(N[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=C(F)C=C2)=N1	REAL300013361798	1	51	0.0	-91.70	412.27	12.64	-79.06
O=C([O-])C1=CC=CC(N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=C(F)C=C2)=N1	REAL300013361799	0	51	0.0	-89.60	413.95	12.62	-76.98
O=C([O-])C1=CC=CC(N[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=C(F)C=C2)=N1	REAL300013361799	1	51	0.0	-91.70	412.27	12.64	-79.06
O=C([O-])C1=CC=C[NH+]=C1N1C[C@H]2[C@](C(F)(F)F)(CCS2(=O)=O)C1	REAL300013361820	1	36	0.0	-52.71	303.44	4.67	-48.04
COCCOCCOCCC1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013361835	0	53	0.0	-55.15	414.28	7.89	-47.26
CC(CC1=[NH+]C=CN1C)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013361842	1	38	0.0	-91.75	318.59	8.38	-83.37
CN(C1=NC=C(C(=O)[O-])C=C1Cl)C1CC[NH+](C2CC2)CC1	REAL300013361862	0	41	0.0	-60.49	324.71	9.04	-51.45
CN(C1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CC[NH+](C2CC2)CC1	REAL300013361863	0	44	0.0	-101.04	340.08	10.08	-90.96
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CCN2CCCS2(=O)=O)CC1	REAL300013361867	0	47	0.0	-57.65	373.31	6.61	-51.04
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300013361892	0	42	0.0	-67.37	315.86	6.68	-60.69
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C3=CC=C(F)C=C32)CC1	REAL300013361900	0	45	0.0	-53.39	344.93	7.36	-46.03
COCC1(C(=O)[O-])CCN(C2=CC(N3CCSCC3)=NC=[NH+]2)CC1	REAL300013361909	0	48	0.0	-48.57	365.18	7.68	-40.89
COCC1(C(=O)[O-])CCN(C2=CC(N3CCSCC3)=[NH+]C=N2)CC1	REAL300013361909	1	48	0.0	-58.69	366.56	7.38	-51.31
COCC1(C(=O)[O-])CCN(C2=CC(NCC3CC3)=[NH+]C=N2)CC1	REAL300013361919	0	47	0.0	-58.50	360.41	7.54	-50.96
COCC1(C(=O)[O-])CCN(C2=CC(NCC3CC3)=NC=[NH+]2)CC1	REAL300013361919	1	47	0.0	-62.54	356.66	7.33	-55.21
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCC3)=[NH+]C=N2)CC1	REAL300013361932	0	47	0.0	-55.06	350.75	6.85	-48.21
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCC3)=NC=[NH+]2)CC1	REAL300013361932	1	47	0.0	-62.79	347.58	6.99	-55.80
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3)=[NH+]C=N2)CC1	REAL300013361933	0	50	0.0	-55.26	365.88	7.79	-47.47
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3)=NC=[NH+]2)CC1	REAL300013361933	1	50	0.0	-63.20	364.45	7.73	-55.47
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CC1	REAL300013361934	0	54	0.0	-65.77	396.11	5.02	-60.75
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CC1	REAL300013361934	1	54	0.0	-68.92	394.40	5.72	-63.20
CCCC1=[NH+]C2=CC=CC=C2C(N2CCC(COC)(C(=O)[O-])CC2)=C1	REAL300013361935	0	51	0.0	-50.62	381.49	8.82	-41.80
COCC1(C(=O)[O-])CCN(C2=NC3=CC(OC)=C(OC)C=C3C(N)=[NH+]2)CC1	REAL300013361967	0	51	0.0	-65.21	387.36	6.08	-59.13
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)CC1	REAL300013361982	0	45	0.0	-71.17	354.72	7.67	-63.50
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)CC1	REAL300013362001	1	42	0.0	-72.18	332.55	7.18	-65.00
COCC1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300013362004	1	39	0.0	-69.56	312.61	6.48	-63.08
COCC1(C(=O)[O-])CCN(C2=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N2)CC1	REAL300013362006	1	59	0.0	-58.05	427.66	9.66	-48.39
COCC1(C(=O)[O-])CCN(C2=CC(N3CCOCC3)=NC=[NH+]2)CC1	REAL300013362014	0	48	0.0	-47.94	356.94	5.33	-42.61
COCC1(C(=O)[O-])CCN(C2=CC(N3CCOCC3)=[NH+]C=N2)CC1	REAL300013362014	1	48	0.0	-58.24	356.91	5.34	-52.90
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C(C3=CC=C([N+](=O)[O-])C=C3)=N2)CC1	REAL300013362024	1	50	0.0	-73.90	397.63	9.81	-64.09
COCC1(C(=O)[O-])CCN(C2=[NH+]C3=CC(C)=CC=C3C(C)=C2)CC1	REAL300013362046	1	48	0.0	-44.31	359.68	8.65	-35.66
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC1	REAL300013362070	1	42	0.0	-68.47	332.51	7.18	-61.29
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)CC1	REAL300013362083	1	42	0.0	-68.63	337.07	7.28	-61.35
COCC1(C(=O)[O-])CCN(C2=C3SC=CC3=[NH+]C=C2)CC1	REAL300013362122	1	39	0.0	-58.41	306.05	5.27	-53.14
COCC1(C(=O)[O-])CCN(C2=C3C=CNC3=NC(C)=[NH+]2)CC1	REAL300013362128	0	42	0.0	-58.49	315.86	5.80	-52.69
COCC1(C(=O)[O-])CCN(C2=C(C)C=[NH+]C3=CC=CC=C32)CC1	REAL300013362130	0	45	0.0	-68.22	331.69	7.45	-60.77
COCC1(C(=O)[O-])CCN(C2=CC(NCC(C)O)=[NH+]C=N2)CC1	REAL300013362139	0	47	0.0	-67.53	358.32	4.06	-63.47
COCC1(C(=O)[O-])CCN(C2=CC(NCC(C)O)=NC=[NH+]2)CC1	REAL300013362139	1	47	0.0	-63.90	357.30	3.26	-60.64
COCC1(C(=O)[O-])CCN(C2=CC(N3C=CC=N3)=NC(N)=[NH+]2)CC1	REAL300013362150	0	44	0.0	-46.56	345.73	6.99	-39.57
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N3CCOCC3)=N2)CC1	REAL300013362156	0	48	0.0	-65.81	356.20	6.53	-59.28
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C3=C(OC)C=CC=C23)CC1	REAL300013362163	1	49	0.0	-47.58	366.96	6.72	-40.86
CCC1=[NH+]C2=CC=CC=C2C(N2CCC(COC)(C(=O)[O-])CC2)=C1	REAL300013362172	0	48	0.0	-50.59	359.99	8.04	-42.55
COCC1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300013362176	1	39	0.0	-69.56	312.61	6.48	-63.08
COCC1(C(=O)[O-])CCN(C2=NC(C(C)C)=[NH+]C(N(C)C)=N2)CC1	REAL300013362186	1	51	0.0	-51.42	384.45	10.82	-40.60
COCC1(C(=O)[O-])CCN(C2=[NH+]C(C(C)C)=NC(N(C)C)=N2)CC1	REAL300013362186	1	51	0.0	-53.36	382.57	10.92	-42.44
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C(N3CCCCC3)=N2)CC1	REAL300013362194	0	50	0.0	-58.58	368.15	8.33	-50.25
CCC1=C(N2CCC(COC)(C(=O)[O-])CC2)C2=CC=CC=C2[NH+]=C1C	REAL300013362205	0	51	0.0	-56.58	371.34	8.84	-47.74
COCC1(C(=O)[O-])CCN(C2=[NH+]C(C)=CC3=CC=CC=C32)CC1	REAL300013362207	0	45	0.0	-43.70	338.64	8.41	-35.29
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)CC1	REAL300013362213	0	54	0.0	-65.16	395.06	4.83	-60.33
COCC1(C(=O)[O-])CCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)CC1	REAL300013362213	1	54	0.0	-66.95	395.58	5.22	-61.73
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C3=CC=C([N+](=O)[O-])C=C32)CC1	REAL300013362217	0	47	0.0	-58.97	366.57	7.95	-51.02
COCC1(C(=O)[O-])CCN(C2=C(C)C(C)=[NH+]C3=CC=CC=C32)CC1	REAL300013362224	0	48	0.0	-57.25	350.72	8.06	-49.19
COCC1(C(=O)[O-])CCN(C2=C(C)C=[NH+]C3=C(C)C=CC=C32)CC1	REAL300013362231	0	48	0.0	-66.32	349.67	8.21	-58.11
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C=C2Br)CC1	REAL300013362232	1	36	0.0	-58.88	292.42	5.24	-53.64
COCC1(C(=O)[O-])CCN(C2=CC(N3CCN(C)C(=O)C3)=NC=[NH+]2)CC1	REAL300013362233	0	51	0.0	-72.62	381.07	5.72	-66.90
COCC1(C(=O)[O-])CCN(C2=CC(N3CCN(C)C(=O)C3)=[NH+]C=N2)CC1	REAL300013362233	1	51	0.0	-59.10	378.74	5.14	-53.96
COCC1(C(=O)[O-])CCN(C2=CC(NC3CCCOC3C(C)C)=[NH+]C=N2)CC1	REAL300013362246	0	60	0.0	-56.91	436.49	8.70	-48.21
COCC1(C(=O)[O-])CCN(C2=CC(NC3CCCOC3C(C)C)=NC=[NH+]2)CC1	REAL300013362246	1	60	0.0	-62.20	432.76	8.48	-53.72
CCOC(=O)C1=C[NH+]=CC=C1N1CCC(COC)(C(=O)[O-])CC1	REAL300013362248	1	45	0.0	-85.54	350.38	7.94	-77.60
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)CC1	REAL300013362269	0	53	0.0	-72.78	404.62	9.50	-63.28
CCCCNC1=CC(N2CCC(COC)(C(=O)[O-])CC2)=NC(N)=[NH+]1	REAL300013362286	0	51	0.0	-63.55	385.53	6.84	-56.71
CCCCNC1=CC(N2CCC(COC)(C(=O)[O-])CC2)=[NH+]C(N)=N1	REAL300013362286	1	51	0.0	-44.22	384.51	6.74	-37.48
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C=C2Br)CC1	REAL300013362295	1	36	0.0	-58.88	292.42	5.24	-53.64
COCC1(C(=O)[O-])CCN(C2=NC(NCCO)=[NH+]C(NC(C)C)=N2)CC1	REAL300013362302	0	54	0.0	-54.08	413.31	7.23	-46.85
COCC1(C(=O)[O-])CCN(C2=[NH+]C(NCCO)=NC(NC(C)C)=N2)CC1	REAL300013362302	1	54	0.0	-54.78	413.07	7.24	-47.54
COCC1(C(=O)[O-])CCN(C2=NC(NCCO)=NC(NC(C)C)=[NH+]2)CC1	REAL300013362302	1	54	0.0	-54.16	412.42	7.22	-46.94
COCC1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300013362312	1	39	0.0	-69.56	312.61	6.48	-63.08
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC(COC)(C(=O)[O-])CC2)=N1	REAL300013362318	0	56	0.0	-49.99	413.28	11.17	-38.82
CCNC1=NC(NC(C)(C)C)=NC(N2CCC(COC)(C(=O)[O-])CC2)=[NH+]1	REAL300013362318	1	56	0.0	-53.49	414.25	11.47	-42.02
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC(COC)(C(=O)[O-])CC2)=N1	REAL300013362318	1	56	0.0	-53.86	416.12	11.56	-42.30
COCC1(C(=O)[O-])CCN(C2=CC(N3CCC(C(C)O)C3)=NC=[NH+]2)CC1	REAL300013362372	0	54	0.0	-65.50	398.00	4.98	-60.52
COCC1(C(=O)[O-])CCN(C2=CC(N3CCC(C(C)O)C3)=[NH+]C=N2)CC1	REAL300013362372	1	54	0.0	-55.77	396.93	4.85	-50.92
COCC1(C(=O)[O-])CCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CC1	REAL300013362375	1	45	0.0	-62.50	341.90	8.20	-54.30
CCCC1=CC2=C(N3CCC(COC)(C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013362379	0	51	0.0	-67.91	380.19	8.88	-59.03
CCC1=CC2=C(N3CCC(COC)(C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013362380	0	48	0.0	-67.73	358.70	8.10	-59.63
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(OC(C)C)C=C32)CC1	REAL300013362384	0	52	0.0	-72.44	385.10	7.52	-64.92
COCC1(C(=O)[O-])CCN(C2=CC(NC3CC3)=[NH+]C=N2)CC1	REAL300013362392	0	44	0.0	-58.21	338.10	6.84	-51.37
COCC1(C(=O)[O-])CCN(C2=CC(NC3CC3)=NC=[NH+]2)CC1	REAL300013362392	1	44	0.0	-62.43	334.33	6.62	-55.81
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C3=CC=CC=C32)CC1	REAL300013362445	0	45	0.0	-51.08	338.52	7.30	-43.78
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)CC1	REAL300013362511	1	42	0.0	-72.22	337.11	7.28	-64.94
CCOC1=CC2=[NH+]C=CC(N3CCC(COC)(C(=O)[O-])CC3)=C2C=C1OCC	REAL300013362532	0	56	0.0	-70.13	417.94	7.75	-62.38
CCC1=CC(N2CCC(COC)(C(=O)[O-])CC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013362534	1	50	0.0	-65.25	386.03	8.09	-57.16
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N3CCCC3)=N2)CC1	REAL300013362545	0	47	0.0	-63.20	348.24	8.23	-54.97
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(F)=CC=C32)CC1	REAL300013362567	0	42	0.0	-68.77	322.21	6.75	-62.02
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC3=CC=C(C)C=C32)CC1	REAL300013362587	1	45	0.0	-60.44	337.33	8.44	-52.00
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC3=C(C)C=CC=C32)CC1	REAL300013362588	1	45	0.0	-59.91	333.92	8.32	-51.59
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N3CCCC(C)(C)C3)=N2)CC1	REAL300013362595	0	56	0.0	-57.66	404.65	9.68	-47.98
COCC1(C(=O)[O-])CCN(C2=C3CCCCC3=[NH+]C3=CC(F)=C(C)C=C32)CC1	REAL300013362600	0	55	0.0	-62.30	399.47	9.92	-52.38
COCC1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=CC(C)=[NH+]2)CC1	REAL300013362604	0	42	0.0	-51.65	335.12	6.92	-44.73
COCC1(C(=O)[O-])CCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CC1	REAL300013362606	1	47	0.0	-67.61	359.36	9.29	-58.32
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(OC)=C(OC)C=C32)CC1	REAL300013362611	0	50	0.0	-70.35	374.25	5.91	-64.44
COCC1(C(=O)[O-])CCN(C2=C3SC=CC3=[NH+]C=C2)CC1	REAL300013362638	1	39	0.0	-58.41	306.05	5.27	-53.14
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CC1	REAL300013362655	0	51	0.0	-58.51	390.28	9.46	-49.05
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C3=C(Cl)C(C)=CC=C23)CC1	REAL300013362692	0	48	0.0	-46.18	371.53	8.46	-37.72
COCC1(C(=O)[O-])CCN(C2=CC(NC3=CC=CC=C3)=[NH+]C(C)=N2)CC1	REAL300013362696	0	50	0.0	-60.81	383.03	9.00	-51.81
COCC1(C(=O)[O-])CCN(C2=CC(NC3=CC=CC=C3)=NC(C)=[NH+]2)CC1	REAL300013362696	1	50	0.0	-43.20	381.48	8.42	-34.78
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C(C)=C2Br)CC1	REAL300013362699	0	39	0.0	-71.00	309.14	5.65	-65.35
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC(N(C)C3CCCCC3)=N2)CC1	REAL300013362701	0	56	0.0	-54.59	406.58	10.76	-43.83
COCC1(C(=O)[O-])CCN(C2=[NH+]C(C)=CC(N(C)C(C)C)=N2)CC1	REAL300013362702	0	52	0.0	-57.60	384.93	9.41	-48.19
COCC1(C(=O)[O-])CCN(C2=[NH+]C(C)=CC(N(C)C3=CC=CC=C3)=N2)CC1	REAL300013362706	0	53	0.0	-60.89	405.79	10.61	-50.28
COCC1(C(=O)[O-])CCN(C2=[NH+]C(C)=CC(N3C=CC=N3)=N2)CC1	REAL300013362707	1	45	0.0	-59.90	353.19	8.66	-51.24
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C(N(C)C(C)C)=N2)CC1	REAL300013362710	0	52	0.0	-61.50	384.49	9.88	-51.62
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C(N(C)C3CCCCC3)=N2)CC1	REAL300013362713	0	56	0.0	-65.93	402.88	11.90	-54.03
COCC1(C(=O)[O-])CCN(C2=CC(C)=[NH+]C(N(C)C3=CC=CC=C3)=N2)CC1	REAL300013362715	1	53	0.0	-63.25	406.33	11.85	-51.40
COCC1(C(=O)[O-])CCN(C2=[NH+]C=CC3=CC=CC(C)=C32)CC1	REAL300013362743	1	45	0.0	-62.13	336.91	10.13	-52.00
COCC1(C(=O)[O-])CCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)CC1	REAL300013362772	0	46	0.0	-55.65	344.30	7.41	-48.24
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)CC1	REAL300013362773	0	46	0.0	-70.32	361.71	6.46	-63.86
COCC1(C(=O)[O-])CCN(C2=CC(N(C)C)=[NH+]C(N(C)C)=N2)CC1	REAL300013362780	1	51	0.0	-60.13	378.82	9.27	-50.86
COCC1(C(=O)[O-])CCN(C2=CC(N(C)C)=NC(N(C)C)=[NH+]2)CC1	REAL300013362780	1	51	0.0	-42.74	377.38	9.36	-33.38
COCC1(C(=O)[O-])CCN(C2=CC=[NH+]C3=C(Cl)C(C)=CC=C23)CC1	REAL300013362788	1	45	0.0	-62.81	348.86	7.83	-54.98
O=C([O-])C1=CC=C[NH+]=C1N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300013362793	0	43	0.0	-52.71	327.45	11.37	-41.34
C[NH+]1CC23CN(C4=CC=CC(C(=O)[O-])=N4)CC2(C1)CCCC3	REAL300013362802	0	45	0.0	-70.92	327.89	8.03	-62.89
C[NH+]1CC23CN(C4=NC=CC=C4C(=O)[O-])CC2(C1)CCCC3	REAL300013362803	0	45	0.0	-77.22	325.53	8.97	-68.25
C[NH+]1CC23CN(C4=NC=C(C(=O)[O-])C=C4Cl)CC2(C1)CCCC3	REAL300013362804	0	45	0.0	-68.65	340.18	8.60	-60.05
C[NH+]1CC23CN(C4=CC=CC(C(=O)[O-])=N4)CC2(C1)CCCC3	REAL300013362805	0	45	0.0	-70.92	327.89	8.03	-62.89
C[NH+]1CC23CN(C4=CC=CC(C(=O)[O-])=N4)CC2(C1)CCCC3	REAL300013362806	0	45	0.0	-70.92	327.89	8.03	-62.89
C[NH+]1CC23CN(C4=C5C=C(C(=O)[O-])N=C5NC=N4)CC2(C1)CCCC3	REAL300013362807	0	48	0.0	-104.39	355.26	9.99	-94.40
O=C([O-])C12CC(NC3=CC(N4CCSCC4)=NC=[NH+]3)(C1)C2	REAL300013362814	0	39	0.0	-60.75	313.96	7.90	-52.85
O=C([O-])C12CC(NC3=CC(N4CCSCC4)=[NH+]C=N3)(C1)C2	REAL300013362814	1	39	0.0	-60.33	316.25	7.55	-52.78
O=C([O-])C12CC(NC3=CC(N4CCCC(CO)C4)=NC=[NH+]3)(C1)C2	REAL300013362819	0	45	0.0	-61.67	346.20	5.30	-56.37
O=C([O-])C12CC(NC3=CC(N4CCCC(CO)C4)=[NH+]C=N3)(C1)C2	REAL300013362819	1	45	0.0	-61.36	344.11	5.18	-56.18
COC1=CC2=NC(NC34CC(C(=O)[O-])(C3)C4)=[NH+]C(N)=C2C=C1OC	REAL300013362836	0	42	0.0	-51.82	336.02	6.84	-44.98
O=C([O-])C12CC(NC3=CC=[NH+]C4=CC(C(F)(F)F)=CC=C34)(C1)C2	REAL300013362843	0	36	0.0	-58.67	305.77	8.10	-50.57
O=C([O-])C12CC(NC3=CC=[NH+]C4=CC(Br)=CC=C34)(C1)C2	REAL300013362883	1	33	0.0	-56.55	288.13	7.71	-48.84
CC1=[NH+]C2=CC=C(Br)C=C2C(NC23CC(C(=O)[O-])(C2)C3)=C1C	REAL300013362905	0	39	0.0	-59.14	328.82	8.82	-50.32
CCOC(=O)C1=C(NC23CC(C(=O)[O-])(C2)C3)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013362930	1	45	0.0	-66.72	370.39	7.56	-59.16
CCOC(=O)C1=C(NC23CC(C(=O)[O-])(C2)C3)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013362931	1	48	0.0	-61.42	379.74	10.21	-51.21
O=C([O-])C12CC(NC3=CC(N4CCCCC4CO)=NC=[NH+]3)(C1)C2	REAL300013362950	0	45	0.0	-62.39	345.17	5.11	-57.28
O=C([O-])C12CC(NC3=CC(N4CCCCC4CO)=[NH+]C=N3)(C1)C2	REAL300013362950	1	45	0.0	-60.78	344.98	4.65	-56.13
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013362954	0	38	0.0	-61.59	316.23	8.35	-53.24
CN1CCN(C2=CC(NC34CC(C(=O)[O-])(C3)C4)=[NH+]C=N2)CC1=O	REAL300013362962	0	42	0.0	-70.02	331.20	6.01	-64.01
CN1CCN(C2=CC(NC34CC(C(=O)[O-])(C3)C4)=NC=[NH+]2)CC1=O	REAL300013362962	1	42	0.0	-55.69	325.02	5.22	-50.47
O=C([O-])C12CC(NC3=CC=[NH+]C4=CC=C(OC5=CC=CC=C5)C=C34)(C1)C2	REAL300013362986	0	44	0.0	-58.20	355.56	9.94	-48.26
O=C([O-])C12CC(NC3=CC(C4CC4)=[NH+]C4=C(Br)C=CC=C34)(C1)C2	REAL300013362992	1	40	0.0	-48.57	335.03	10.05	-38.52
CC(C)NC1=[NH+]C(NCCO)=NC(NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013363007	0	45	0.0	-54.71	365.69	7.98	-46.73
CC(C)NC1=NC(NCCO)=[NH+]C(NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013363007	1	45	0.0	-43.17	361.77	8.08	-35.09
CC(C)NC1=NC(NCCO)=NC(NC23CC(C(=O)[O-])(C2)C3)=[NH+]1	REAL300013363007	1	45	0.0	-42.91	359.32	8.00	-34.91
CCNC1=[NH+]C(NC(C)(C)C)=NC(NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013363017	0	47	0.0	-51.12	365.35	11.92	-39.20
CCNC1=NC(NC(C)(C)C)=NC(NC23CC(C(=O)[O-])(C2)C3)=[NH+]1	REAL300013363017	1	47	0.0	-41.86	362.95	12.31	-29.55
CCNC1=NC(NC(C)(C)C)=[NH+]C(NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013363017	1	47	0.0	-43.08	364.77	12.39	-30.69
CN(C1=CC=CC=C1)C1=CC(NC23CC(C(=O)[O-])(C2)C3)=[NH+]C=N1	REAL300013363027	1	41	0.0	-62.03	332.08	9.80	-52.23
CC(O)C1CCN(C2=CC(NC34CC(C(=O)[O-])(C3)C4)=[NH+]C=N2)C1	REAL300013363045	0	45	0.0	-60.33	348.08	5.26	-55.07
CC(O)C1CCN(C2=CC(NC34CC(C(=O)[O-])(C3)C4)=NC=[NH+]2)C1	REAL300013363045	1	45	0.0	-56.18	343.58	4.95	-51.23
CC(C)OC1=CC2=C(NC34CC(C(=O)[O-])(C3)C4)C=C[NH+]=C2C=C1	REAL300013363049	0	43	0.0	-57.81	336.04	7.96	-49.85
C[NH+](C)CCNS(=O)(=O)C1=CC=C(NC23CC(C(=O)[O-])(C2)C3)C([N+](=O)[O-])=C1	REAL300013363083	0	49	0.0	-78.02	406.58	5.42	-72.60
C[NH+](C)CC1=NC(NC23CC(C(=O)[O-])(C2)C3)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013363152	1	50	0.0	-57.90	412.02	12.04	-45.86
O=C([O-])C12CC(NC3=CC=[NH+]C4=CC=C(Br)C=C34)(C1)C2	REAL300013363153	1	33	0.0	-58.19	288.20	7.72	-50.47
CCOC1=CC2=[NH+]C=CC(NC34CC(C(=O)[O-])(C3)C4)=C2C=C1OCC	REAL300013363168	0	47	0.0	-58.49	369.03	8.19	-50.30
COC1=CC2=[NH+]C=CC(NC34CC(C(=O)[O-])(C3)C4)=C2C=C1Br	REAL300013363201	0	37	0.0	-59.03	316.67	7.08	-51.95
CC1(C)CCCN(C2=CC=[NH+]C(NC34CC(C(=O)[O-])(C3)C4)=N2)C1	REAL300013363208	0	47	0.0	-52.14	353.64	9.97	-42.17
CC1=CC2=C(NC34CC(C(=O)[O-])(C3)C4)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013363213	0	46	0.0	-54.90	358.43	10.25	-44.65
COC1=CC2=[NH+]C=CC(NC34CC(C(=O)[O-])(C3)C4)=C2C=C1OC	REAL300013363218	0	41	0.0	-58.70	325.27	6.35	-52.35
O=C([O-])C12CC(NC3=[NH+]C=CC(N4CC5=CC=CC=C5C4)=N3)(C1)C2	REAL300013363236	0	42	0.0	-53.22	337.86	10.23	-42.99
CC1=CC=C2C(NC34CC(C(=O)[O-])(C3)C4)=CC(C)=[NH+]C2=C1Cl	REAL300013363251	0	39	0.0	-49.53	321.50	8.87	-40.66
CC1=[NH+]C(NC2=CC=CC=C2)=CC(NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013363254	1	41	0.0	-55.60	326.17	8.49	-47.11
CC1=NC(NC2=CC=CC=C2)=CC(NC23CC(C(=O)[O-])(C2)C3)=[NH+]1	REAL300013363254	1	41	0.0	-54.93	332.35	9.48	-45.45
CN(C1=CC=[NH+]C(NC23CC(C(=O)[O-])(C2)C3)=N1)C1CCCCC1	REAL300013363258	0	47	0.0	-49.35	353.70	11.52	-37.83
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC23CC(C(=O)[O-])(C2)C3)=[NH+]1	REAL300013363260	0	44	0.0	-45.04	356.88	12.30	-32.74
CN(C1=[NH+]C=CC(NC23CC(C(=O)[O-])(C2)C3)=N1)C1CCCCC1	REAL300013363263	0	47	0.0	-55.05	352.26	11.34	-43.71
O=C([O-])C12CC(NC3=CC=[NH+]C4=CC(OC(F)(F)F)=CC=C34)(C1)C2	REAL300013363300	0	37	0.0	-57.65	312.76	6.91	-50.74
CC1=C(Cl)C2=[NH+]C=CC(NC34CC(C(=O)[O-])(C3)C4)=C2C=C1	REAL300013363306	1	36	0.0	-52.74	299.95	8.26	-44.48
CC1=CC(C)=NN1C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013363330	0	42	0.0	-62.74	333.70	8.93	-53.81
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=NC(C(F)(F)F)=CS2)CC1	REAL300013363346	0	37	0.0	-49.57	327.75	7.04	-42.53
O=C([O-])C1=CC2=C(NC3CCC3[NH+]3CCOCC3)N=CNC2=N1	REAL300013363356	1	42	0.0	-102.01	336.65	6.98	-95.03
CN(CCCCC1=CC=CC(Br)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013363364	0	41	0.0	-48.69	352.14	11.71	-36.98
COC(=O)C1CC(C2=CC=CC=C2)CN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013363397	1	45	0.0	-50.38	362.28	11.03	-39.35
COC(=O)C1=C(C)N=C(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)S1	REAL300013363403	0	43	0.0	-51.43	359.71	7.30	-44.13
CCOC(=O)C1=CSC(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=N1	REAL300013363412	0	44	0.0	-60.29	372.73	9.10	-51.19
C[NH+](C)CC1=CC=C(CNC2=NC=C(C(=O)[O-])C=C2Cl)S1	REAL300013363421	0	37	0.0	-70.11	334.30	8.82	-61.29
C[NH+](C)CC1=CC=C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)S1	REAL300013363422	0	40	0.0	-100.50	347.06	9.14	-91.36
O=C([O-])C1=CC=C[NH+]=C1N1C2CCC1CC(N1CCCCS1(=O)=O)C2	REAL300013363428	0	48	0.0	-51.14	354.84	6.78	-44.36
COC(=O)C1=NN(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013363439	0	42	0.0	-54.90	345.94	8.36	-46.54
O=C([O-])C1=CC=C[NH+]=C1N1CCC(S(=O)(=O)CC2=CC=CC=C2)C1	REAL300013363447	1	42	0.0	-69.07	354.14	7.53	-61.54
COC1=CC(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=CC(OC)=C1	REAL300013363463	0	47	0.0	-55.38	366.48	9.06	-46.32
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(CC1)OC(=O)NC21CCC1	REAL300013363475	0	42	0.0	-44.79	321.04	5.53	-39.26
CC1=CC=[NH+]C(NCC2(CC(=O)[O-])CCCCC2)=C1Br	REAL300013363515	1	41	0.0	-42.45	312.42	9.27	-33.18
CC1=[NH+]C2=CC=C(F)C=C2C(NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300013363516	0	47	0.0	-46.85	346.18	9.80	-37.05
O=C([O-])CC1(CNC2=CC(N3CCSCC3)=NC=[NH+]2)CCCCC1	REAL300013363525	0	50	0.0	-58.25	365.28	9.98	-48.27
O=C([O-])CC1(CNC2=CC(N3CCSCC3)=[NH+]C=N2)CCCCC1	REAL300013363525	1	50	0.0	-61.23	364.48	9.53	-51.70
O=C([O-])CC1(CNC2=CC(NCC3CC3)=[NH+]C=N2)CCCCC1	REAL300013363535	0	49	0.0	-47.64	358.45	9.68	-37.96
O=C([O-])CC1(CNC2=CC(NCC3CC3)=NC=[NH+]2)CCCCC1	REAL300013363535	1	49	0.0	-42.87	358.45	9.69	-33.18
O=C([O-])CC1(CNC2=CC(N3CCCC3)=NC=[NH+]2)CCCCC1	REAL300013363547	0	49	0.0	-44.81	348.59	9.42	-35.39
O=C([O-])CC1(CNC2=CC(N3CCCC3)=[NH+]C=N2)CCCCC1	REAL300013363547	1	49	0.0	-56.74	348.61	8.99	-47.75
O=C([O-])CC1(CNC2=CC(N3CCCCC3)=NC=[NH+]2)CCCCC1	REAL300013363548	0	52	0.0	-42.17	366.23	10.08	-32.09
O=C([O-])CC1(CNC2=CC(N3CCCCC3)=[NH+]C=N2)CCCCC1	REAL300013363548	1	52	0.0	-58.23	363.54	9.96	-48.27
O=C([O-])CC1(CNC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CCCCC1	REAL300013363549	0	56	0.0	-44.56	397.84	7.37	-37.19
O=C([O-])CC1(CNC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CCCCC1	REAL300013363549	1	56	0.0	-51.14	395.49	7.21	-43.93
CCCC1=[NH+]C2=CC=CC=C2C(NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300013363550	0	53	0.0	-42.74	382.70	11.25	-31.49
COC1=CC2=NC(NCC3(CC(=O)[O-])CCCCC3)=[NH+]C(N)=C2C=C1OC	REAL300013363581	0	53	0.0	-45.32	386.82	8.61	-36.71
O=C([O-])CC1(CNC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)CCCCC1	REAL300013363595	0	47	0.0	-48.32	357.00	10.17	-38.15
O=C([O-])CC1(CNC2=CC=[NH+]C3=CC=C(Cl)C=C23)CCCCC1	REAL300013363614	1	44	0.0	-49.49	335.18	9.67	-39.82
O=C([O-])CC1(CNC2=CC(C(F)(F)F)=CC=[NH+]2)CCCCC1	REAL300013363617	1	41	0.0	-59.09	314.11	8.85	-50.24
CC(C)(C)C1=CC(NCC2(CC(=O)[O-])CCCCC2)=NC(C(C)(C)C)=[NH+]1	REAL300013363619	1	61	0.0	-40.26	427.06	11.90	-28.36
O=C([O-])CC1(CNC2=CC(N3CCOCC3)=NC=[NH+]2)CCCCC1	REAL300013363627	0	50	0.0	-57.18	357.05	7.64	-49.54
O=C([O-])CC1(CNC2=CC(N3CCOCC3)=[NH+]C=N2)CCCCC1	REAL300013363627	1	50	0.0	-59.75	354.64	7.51	-52.24
CC1=CC(NCC2(CC(=O)[O-])CCCCC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013363637	1	52	0.0	-51.05	397.03	12.04	-39.01
CC1=CC2=[NH+]C(NCC3(CC(=O)[O-])CCCCC3)=CC(C)=C2C=C1	REAL300013363657	1	50	0.0	-37.55	360.39	11.12	-26.43
O=C([O-])CC1(CNC2=CC=[NH+]C3=CC(Cl)=CC=C23)CCCCC1	REAL300013363680	1	44	0.0	-46.70	335.17	9.66	-37.04
O=C([O-])CC1(CNC2=CC=[NH+]C3=CC(Br)=CC=C23)CCCCC1	REAL300013363693	1	44	0.0	-46.70	339.72	9.77	-36.93
O=C([O-])CC1(CNC2=C3SC=CC3=[NH+]C=C2)CCCCC1	REAL300013363733	1	41	0.0	-46.51	311.74	8.20	-38.31
CC(C)(C)C1=[NH+]C=CC(NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013363737	1	49	0.0	-46.22	349.94	9.54	-36.68
CC1=[NH+]C(NCC2(CC(=O)[O-])CCCCC2)=C2C=CNC2=N1	REAL300013363738	0	44	0.0	-38.75	323.16	8.82	-29.93
CC1=C(NCC2(CC(=O)[O-])CCCCC2)C2=CC=CC=C2[NH+]=C1	REAL300013363740	0	47	0.0	-58.44	317.76	8.45	-49.99
CC(O)CNC1=CC(NCC2(CC(=O)[O-])CCCCC2)=[NH+]C=N1	REAL300013363749	0	49	0.0	-45.19	359.41	5.57	-39.62
CC(O)CNC1=CC(NCC2(CC(=O)[O-])CCCCC2)=NC=[NH+]1	REAL300013363749	1	49	0.0	-47.69	359.07	5.62	-42.07
NC1=[NH+]C(NCC2(CC(=O)[O-])CCCCC2)=CC(N2C=CC=N2)=N1	REAL300013363760	0	46	0.0	-45.99	346.17	9.29	-36.70
O=C([O-])CC1(CNC2=[NH+]C=CC(N3CCOCC3)=N2)CCCCC1	REAL300013363766	0	50	0.0	-62.14	357.00	8.40	-53.74
COC1=CC=CC2=C(NCC3(CC(=O)[O-])CCCCC3)C=C(C)[NH+]=C12	REAL300013363773	1	51	0.0	-41.16	368.10	9.15	-32.01
CCOC(=O)C1=C(NCC2(CC(=O)[O-])CCCCC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013363774	1	59	0.0	-61.53	409.84	11.02	-50.51
CCC1=[NH+]C2=CC=CC=C2C(NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300013363783	0	50	0.0	-42.78	361.20	10.47	-32.31
O=C([O-])CC1(CNC2=CC(C(F)(F)F)=CC=[NH+]2)CCCCC1	REAL300013363787	1	41	0.0	-59.09	314.11	8.85	-50.24
CC(C)C1=[NH+]C(NCC2(CC(=O)[O-])CCCCC2)=NC(N(C)C)=N1	REAL300013363797	1	53	0.0	-50.66	382.14	13.51	-37.15
CC(C)C1=NC(NCC2(CC(=O)[O-])CCCCC2)=NC(N(C)C)=[NH+]1	REAL300013363797	1	53	0.0	-52.19	381.20	13.50	-38.69
O=C([O-])CC1(CNC2=CC=[NH+]C(N3CCCCC3)=N2)CCCCC1	REAL300013363804	0	52	0.0	-59.76	365.90	10.50	-49.26
CCC1=C(NCC2(CC(=O)[O-])CCCCC2)C2=CC=CC=C2[NH+]=C1C	REAL300013363815	0	53	0.0	-49.49	363.38	10.58	-38.91
CC1=CC2=CC=CC=C2C(NCC2(CC(=O)[O-])CCCCC2)=[NH+]1	REAL300013363817	0	47	0.0	-38.38	339.57	10.93	-27.45
O=C([O-])CC1(CNC2=CC(N3CCCCC3CO)=NC=[NH+]2)CCCCC1	REAL300013363823	0	56	0.0	-44.15	396.14	6.54	-37.61
O=C([O-])CC1(CNC2=CC(N3CCCCC3CO)=[NH+]C=N2)CCCCC1	REAL300013363823	1	56	0.0	-47.72	396.93	6.74	-40.98
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300013363827	0	49	0.0	-53.30	367.82	10.40	-42.90
CC(C)(C)C1=[NH+]C=CC(NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013363830	1	49	0.0	-46.22	349.94	9.54	-36.68
CC1=[NH+]C2=CC=CC=C2C(NCC2(CC(=O)[O-])CCCCC2)=C1C	REAL300013363834	0	50	0.0	-58.65	357.42	10.37	-48.28
CC1=C2[NH+]=CC(C)=C(NCC3(CC(=O)[O-])CCCCC3)C2=CC=C1	REAL300013363841	0	50	0.0	-58.96	355.77	10.55	-48.41
O=C([O-])CC1(CNC2=CC=[NH+]C=C2Br)CCCCC1	REAL300013363843	1	38	0.0	-64.04	293.93	7.67	-56.37
CN1CCN(C2=CC(NCC3(CC(=O)[O-])CCCCC3)=[NH+]C=N2)CC1=O	REAL300013363844	0	53	0.0	-63.07	382.55	8.10	-54.97
CN1CCN(C2=CC(NCC3(CC(=O)[O-])CCCCC3)=NC=[NH+]2)CC1=O	REAL300013363844	1	53	0.0	-57.58	380.57	7.89	-49.69
CC(C)C1OCCCC1NC1=CC(NCC2(CC(=O)[O-])CCCCC2)=[NH+]C=N1	REAL300013363857	0	62	0.0	-55.01	435.20	10.69	-44.32
CC(C)C1OCCCC1NC1=CC(NCC2(CC(=O)[O-])CCCCC2)=NC=[NH+]1	REAL300013363857	1	62	0.0	-46.09	434.58	10.85	-35.24
CCOC(=O)C1=C[NH+]=CC=C1NCC1(CC(=O)[O-])CCCCC1	REAL300013363859	1	47	0.0	-58.57	346.64	8.77	-49.80
COC1=CC=CC2=C(NCC3(CC(=O)[O-])CCCCC3)C(C)=C[NH+]=C12	REAL300013363867	1	51	0.0	-56.14	362.00	9.05	-47.09
O=C([O-])CC1(CNC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)CCCCC1	REAL300013363880	0	55	0.0	-49.87	407.27	12.01	-37.86
CCCCNC1=CC(NCC2(CC(=O)[O-])CCCCC2)=NC(N)=[NH+]1	REAL300013363897	0	53	0.0	-44.72	384.93	9.05	-35.67
CCCCNC1=CC(NCC2(CC(=O)[O-])CCCCC2)=[NH+]C(N)=N1	REAL300013363897	1	53	0.0	-51.10	384.62	9.08	-42.02
O=C([O-])CC1(CNC2=CC=[NH+]C=C2Br)CCCCC1	REAL300013363906	1	38	0.0	-64.04	293.93	7.67	-56.37
CC(C)NC1=NC(NCCO)=[NH+]C(NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013363913	0	56	0.0	-52.93	412.18	9.86	-43.07
CC(C)NC1=NC(NCCO)=NC(NCC2(CC(=O)[O-])CCCCC2)=[NH+]1	REAL300013363913	1	56	0.0	-50.97	411.65	9.81	-41.16
CC(C)NC1=[NH+]C(NCCO)=NC(NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013363913	1	56	0.0	-48.09	411.86	9.83	-38.26
O=C([O-])CC1(CNC2=CC(C(F)(F)F)=CC=[NH+]2)CCCCC1	REAL300013363923	1	41	0.0	-59.09	314.11	8.85	-50.24
CCNC1=[NH+]C(NCC2(CC(=O)[O-])CCCCC2)=NC(NC(C)(C)C)=N1	REAL300013363929	0	58	0.0	-51.21	413.37	14.08	-37.13
CCNC1=NC(NCC2(CC(=O)[O-])CCCCC2)=NC(NC(C)(C)C)=[NH+]1	REAL300013363929	1	58	0.0	-44.66	411.42	13.80	-30.86
CCNC1=NC(NCC2(CC(=O)[O-])CCCCC2)=[NH+]C(NC(C)(C)C)=N1	REAL300013363929	1	58	0.0	-50.31	415.55	14.15	-36.16
CN(C1=CC=CC=C1)C1=CC(NCC2(CC(=O)[O-])CCCCC2)=[NH+]C=N1	REAL300013363953	1	52	0.0	-44.25	386.05	12.72	-31.53
O=C([O-])CC1(CNC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)CCCCC1	REAL300013363980	1	44	0.0	-50.01	340.97	9.72	-40.29
CC(O)C1CCN(C2=CC(NCC3(CC(=O)[O-])CCCCC3)=[NH+]C=N2)C1	REAL300013363981	0	56	0.0	-55.44	395.25	7.42	-48.02
CC(O)C1CCN(C2=CC(NCC3(CC(=O)[O-])CCCCC3)=NC=[NH+]2)C1	REAL300013363981	1	56	0.0	-47.04	396.24	7.00	-40.04
O=C([O-])CC1(CNC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CCCCC1	REAL300013363984	1	47	0.0	-42.76	344.65	11.07	-31.69
CCCC1=CC2=C(NCC3(CC(=O)[O-])CCCCC3)C=C[NH+]=C2C=C1	REAL300013363988	0	53	0.0	-47.00	382.82	11.36	-35.64
CCC1=CC2=C(NCC3(CC(=O)[O-])CCCCC3)C=C[NH+]=C2C=C1	REAL300013363989	0	50	0.0	-47.01	361.32	10.58	-36.43
CC(C)OC1=CC2=C(NCC3(CC(=O)[O-])CCCCC3)C=C[NH+]=C2C=C1	REAL300013363993	0	54	0.0	-51.11	387.60	10.03	-41.08
O=C([O-])CC1(CNC2=CC(NC3CC3)=NC=[NH+]2)CCCCC1	REAL300013364000	0	46	0.0	-54.41	335.82	9.00	-45.41
O=C([O-])CC1(CNC2=CC(NC3CC3)=[NH+]C=N2)CCCCC1	REAL300013364000	1	46	0.0	-47.67	336.12	8.98	-38.69
CC1=[NH+]C2=CC=CC=C2C(NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300013364051	0	47	0.0	-43.92	339.77	9.73	-34.19
CC1=CC(NCC2(CC(=O)[O-])CCCCC2)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013364092	1	49	0.0	-44.29	363.84	9.57	-34.72
CCC1=CC(NCC2(CC(=O)[O-])CCCCC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013364094	1	55	0.0	-50.03	418.46	12.78	-37.25
O=C([O-])CC1(CNC2=CC=[NH+]C3=CC=C(Br)C=C23)CCCCC1	REAL300013364118	1	44	0.0	-49.35	339.74	9.78	-39.57
O=C([O-])CC1(CNC2=CC=[NH+]C3=C(Br)C=CC=C23)CCCCC1	REAL300013364125	1	44	0.0	-42.72	337.10	9.86	-32.86
CCOC1=CC2=[NH+]C=CC(NCC3(CC(=O)[O-])CCCCC3)=C2C=C1OCC	REAL300013364139	0	58	0.0	-49.40	420.57	10.24	-39.16
CCC1=CC(NCC2(CC(=O)[O-])CCCCC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013364141	1	52	0.0	-44.72	385.45	10.33	-34.39
O=C([O-])CC1(CNC2=[NH+]C=CC(N3CCCC3)=N2)CCCCC1	REAL300013364152	0	49	0.0	-59.08	348.26	10.17	-48.91
O=C([O-])CC1(CNC2=CC=[NH+]C3=CC(F)=CC=C23)CCCCC1	REAL300013364174	0	44	0.0	-46.96	324.86	9.23	-37.73
O=C([O-])CC1(CNC2=[NH+]C=CC3=CC(F)=CC=C32)CCCCC1	REAL300013364192	1	44	0.0	-41.60	324.67	10.44	-31.16
CC1=CC2=C(NCC3(CC(=O)[O-])CCCCC3)[NH+]=CC=C2C=C1	REAL300013364193	1	47	0.0	-40.26	339.64	11.02	-29.24
CC1=CC=CC2=C(NCC3(CC(=O)[O-])CCCCC3)[NH+]=CC=C12	REAL300013364194	1	47	0.0	-39.93	336.22	10.90	-29.03
CC1(C)CCCN(C2=CC=[NH+]C(NCC3(CC(=O)[O-])CCCCC3)=N2)C1	REAL300013364201	0	58	0.0	-42.76	402.72	12.18	-30.58
CC1=CC2=C(NCC3(CC(=O)[O-])CCCCC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013364206	0	57	0.0	-48.55	399.98	12.15	-36.40
CC1=CC(C(F)(F)F)=CC(NCC2(CC(=O)[O-])CCCCC2)=[NH+]1	REAL300013364210	0	44	0.0	-43.72	335.80	9.39	-34.33
O=C([O-])CC1(CNC2=CC(NC3=CC=CC=C3)=NC=[NH+]2)CCCCC1	REAL300013364212	1	49	0.0	-47.55	359.97	10.81	-36.74
O=C([O-])CC1(CNC2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CCCCC1	REAL300013364212	1	49	0.0	-44.96	361.64	11.24	-33.72
COC1=CC2=[NH+]C=CC(NCC3(CC(=O)[O-])CCCCC3)=C2C=C1OC	REAL300013364217	0	52	0.0	-49.71	376.87	8.40	-41.31
O=C([O-])CC1(CNC2=C3SC=CC3=[NH+]C=C2)CCCCC1	REAL300013364244	1	41	0.0	-46.51	311.74	8.20	-38.31
O=C([O-])CC1(CNC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CCCCC1	REAL300013364261	0	53	0.0	-62.94	388.05	11.99	-50.95
CC1=CC=C2C(NCC3(CC(=O)[O-])CCCCC3)=CC(C)=[NH+]C2=C1Cl	REAL300013364296	0	50	0.0	-39.92	372.79	10.89	-29.03
CC1=NC(NCC2(CC(=O)[O-])CCCCC2)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013364299	0	52	0.0	-43.88	382.15	11.16	-32.72
CC1=[NH+]C(NCC2(CC(=O)[O-])CCCCC2)=CC(NC2=CC=CC=C2)=N1	REAL300013364299	1	52	0.0	-53.50	383.63	11.62	-41.88
CC1=[NH+]C=CC(NCC2(CC(=O)[O-])CCCCC2)=C1Br	REAL300013364303	0	41	0.0	-47.59	312.40	8.13	-39.46
CN(C1=CC=[NH+]C(NCC2(CC(=O)[O-])CCCCC2)=N1)C1CCCCC1	REAL300013364305	0	58	0.0	-41.78	403.85	13.36	-28.42
CC1=CC(N(C)C(C)C)=NC(NCC2(CC(=O)[O-])CCCCC2)=[NH+]1	REAL300013364306	0	54	0.0	-40.61	383.53	12.00	-28.61
O=C([O-])CC1(CNC2=[NH+]C=CC(N3C=CN=C3)=N2)CCCCC1	REAL300013364307	1	44	0.0	-50.28	328.62	11.84	-38.44
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC2(CC(=O)[O-])CCCCC2)=[NH+]1	REAL300013364310	0	55	0.0	-37.37	406.24	13.99	-23.38
CC1=CC(N2C=CC=N2)=NC(NCC2(CC(=O)[O-])CCCCC2)=[NH+]1	REAL300013364311	1	47	0.0	-40.00	352.65	11.20	-28.80
CC1=CC(NCC2(CC(=O)[O-])CCCCC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013364314	0	54	0.0	-42.93	383.87	12.09	-30.84
CN(C1=[NH+]C=CC(NCC2(CC(=O)[O-])CCCCC2)=N1)C1CCCCC1	REAL300013364317	0	58	0.0	-46.13	403.97	13.40	-32.73
CC1=CC(NCC2(CC(=O)[O-])CCCCC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013364319	1	55	0.0	-46.28	405.47	14.07	-32.21
CC1=CC=CC2=CC=[NH+]C(NCC3(CC(=O)[O-])CCCCC3)=C12	REAL300013364347	0	47	0.0	-40.15	329.02	11.24	-28.91
CCCCC1=CC(NCC2(CC(=O)[O-])CCCCC2)=NC=[NH+]1	REAL300013364375	1	49	0.0	-47.15	356.25	10.51	-36.64
O=C([O-])CC1(CNC2=C3C=CNC3=NC(C3CC3)=[NH+]2)CCCCC1	REAL300013364376	0	48	0.0	-37.06	351.61	10.42	-26.64
O=C([O-])CC1(CNC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)CCCCC1	REAL300013364377	0	48	0.0	-47.82	364.37	8.96	-38.86
CN(C)C1=CC(NCC2(CC(=O)[O-])CCCCC2)=[NH+]C(N(C)C)=N1	REAL300013364384	0	53	0.0	-48.63	378.54	11.56	-37.07
CN(C)C1=CC(NCC2(CC(=O)[O-])CCCCC2)=NC(N(C)C)=[NH+]1	REAL300013364384	1	53	0.0	-44.20	376.18	11.45	-32.75
CC1=C(Cl)C2=[NH+]C=CC(NCC3(CC(=O)[O-])CCCCC3)=C2C=C1	REAL300013364392	1	47	0.0	-42.63	351.50	10.31	-32.32
COC(=O)C1=CC2=C(CN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)S1	REAL300013364398	0	36	0.0	-54.30	315.47	8.97	-45.33
O=C([O-])C1=CC=C[NH+]=C1N1CCC(N2C=NC3=CC=CC=C3C2=O)C1	REAL300013364404	0	41	0.0	-52.39	333.05	9.44	-42.95
CC(C)N1CC[NH+](C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCC2)CC1	REAL300013364438	0	55	0.0	-67.17	382.92	7.57	-59.60
CC(C)[NH+]1CCN(C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCC2)CC1	REAL300013364438	1	55	0.0	-79.28	388.52	8.10	-71.18
CC(C)N1CC[NH+](C2(CNC3=NC=CC=C3C(=O)[O-])CCCC2)CC1	REAL300013364439	0	55	0.0	-43.78	385.68	8.53	-35.25
CC(C)[NH+]1CCN(C2(CNC3=NC=CC=C3C(=O)[O-])CCCC2)CC1	REAL300013364439	1	55	0.0	-68.58	388.26	8.60	-59.98
CC(C)[NH+]1CCN(C2(CNC3=NC=C(C(=O)[O-])C=C3Cl)CCCC2)CC1	REAL300013364440	0	55	0.0	-65.79	403.25	8.75	-57.04
CC(C)N1CC[NH+](C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCC2)CC1	REAL300013364441	0	55	0.0	-67.17	382.92	7.57	-59.60
CC(C)[NH+]1CCN(C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCC2)CC1	REAL300013364441	1	55	0.0	-79.28	388.52	8.10	-71.18
CC(C)N1CC[NH+](C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCC2)CC1	REAL300013364442	0	55	0.0	-67.17	382.92	7.57	-59.60
CC(C)[NH+]1CCN(C2(CNC3=CC=CC(C(=O)[O-])=N3)CCCC2)CC1	REAL300013364442	1	55	0.0	-79.28	388.52	8.10	-71.18
CC(C)N1CC[NH+](C2(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)CCCC2)CC1	REAL300013364443	0	58	0.0	-92.73	418.24	9.17	-83.56
CC(C)[NH+]1CCN(C2(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)CCCC2)CC1	REAL300013364443	1	58	0.0	-103.35	417.24	9.29	-94.06
COCC(C)(CNC1=CC=CC(C(=O)[O-])=N1)N1CC[NH+](C(C)C)CC1	REAL300013364458	0	55	0.0	-72.79	397.71	6.87	-65.92
COCC(C)(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCN(C(C)C)CC1	REAL300013364458	1	55	0.0	-70.46	393.99	6.54	-63.92
COCC(C)(CNC1=NC=CC=C1C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300013364459	0	55	0.0	-58.08	393.99	7.41	-50.67
COCC(C)(CNC1=NC=CC=C1C(=O)[O-])[NH+]1CCN(C(C)C)CC1	REAL300013364459	1	55	0.0	-42.50	389.73	6.81	-35.69
COCC(C)(CNC1=NC=C(C(=O)[O-])C=C1Cl)N1CC[NH+](C(C)C)CC1	REAL300013364460	0	55	0.0	-67.27	413.25	7.74	-59.53
COCC(C)(CNC1=CC=CC(C(=O)[O-])=N1)N1CC[NH+](C(C)C)CC1	REAL300013364461	0	55	0.0	-72.79	397.71	6.87	-65.92
COCC(C)(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCN(C(C)C)CC1	REAL300013364461	1	55	0.0	-70.46	393.99	6.54	-63.92
COCC(C)(CNC1=CC=CC(C(=O)[O-])=N1)N1CC[NH+](C(C)C)CC1	REAL300013364462	0	55	0.0	-72.79	397.71	6.87	-65.92
COCC(C)(CNC1=CC=CC(C(=O)[O-])=N1)[NH+]1CCN(C(C)C)CC1	REAL300013364462	1	55	0.0	-70.46	393.99	6.54	-63.92
COCC(C)(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)N1CC[NH+](C(C)C)CC1	REAL300013364463	0	58	0.0	-94.61	426.81	8.13	-86.48
COCC(C)(CNC1=C2C=C(C(=O)[O-])N=C2NC=N1)[NH+]1CCN(C(C)C)CC1	REAL300013364463	1	58	0.0	-90.97	422.36	7.46	-83.51
O=C([O-])C1=CC=C[NH+]=C1N1CCCC2=C(C=C(Br)S2)C1	REAL300013364482	0	33	0.0	-53.72	299.39	9.60	-44.12
CC(C)(C)C1=CC=C2CN(C3=[NH+]C=CC=C3C(=O)[O-])CCC2=C1	REAL300013364498	0	45	0.0	-50.02	344.73	11.44	-38.58
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(CC1)C(F)(F)C21CCC1	REAL300013364506	0	40	0.0	-55.69	322.30	10.38	-45.31
O=C([O-])C1=CN=C(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C(Cl)=C1	REAL300013364516	1	42	0.0	-60.06	336.80	5.47	-54.59
O=C([O-])C1=CC2=C(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)N=CNC2=N1	REAL300013364517	0	45	0.0	-95.12	343.08	6.64	-88.48
C[NH+]1CCN(C2=CC=C(CCNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013364520	0	49	0.0	-82.60	382.80	8.61	-73.99
C[NH+]1CCN(C2=CC=C(CCNC3=NC=CC=C3C(=O)[O-])C=C2)CC1	REAL300013364521	0	49	0.0	-74.22	378.84	9.16	-65.06
C[NH+]1CCN(C2=CC=C(CCNC3=NC=C(C(=O)[O-])C=C3Cl)C=C2)CC1	REAL300013364522	0	49	0.0	-70.78	398.30	9.49	-61.29
C[NH+]1CCN(C2=CC=C(CCNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013364523	0	49	0.0	-82.60	382.80	8.61	-73.99
C[NH+]1CCN(C2=CC=C(CCNC3=CC=CC(C(=O)[O-])=N3)C=C2)CC1	REAL300013364524	0	49	0.0	-82.60	382.80	8.61	-73.99
C[NH+]1CCN(C2=CC=C(CCNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C=C2)CC1	REAL300013364525	0	52	0.0	-105.68	411.48	9.82	-95.86
COC(=O)C1CN(C2=[NH+]C=CC=C2C(=O)[O-])CC2=C1C=CC=C2C(F)(F)F	REAL300013364541	1	42	0.0	-47.48	349.61	10.41	-37.07
CN1C=NC=C1[C@@H]1CN(C2=[NH+]C=CC=C2C(=O)[O-])C[C@H]1CO	REAL300013364545	0	40	0.0	-67.23	319.96	6.00	-61.23
CNC(=O)C1=CN(CC2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)N=N1	REAL300013364551	0	45	0.0	-64.34	368.08	5.49	-58.85
CC[NH+](CC)CCC(C)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013364556	0	45	0.0	-97.69	348.44	9.05	-88.64
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=NNC=C2I)CC1	REAL300013364566	0	36	0.0	-54.65	317.31	7.95	-46.70
O=C([O-])C1=CC=CC(NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)=N1	REAL300013364584	0	47	0.0	-85.57	384.42	10.83	-74.74
O=C([O-])C1=CC=CN=C1NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300013364585	0	47	0.0	-62.03	383.53	11.36	-50.67
O=C([O-])C1=CC=CC(NCC(C2=CC=C(C(F)(F)F)C=C2)[NH+]2CCCC2)=N1	REAL300013364586	0	47	0.0	-85.57	384.42	10.83	-74.74
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300013364597	0	33	0.0	-50.21	299.52	10.05	-40.16
CC1=[NH+]C2=CC=C(F)C=C2C(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013364624	0	41	0.0	-62.37	319.42	9.11	-53.26
O=C([O-])[C@H]1CC[C@@H](NC2=CC(N3CCSCC3)=NC=[NH+]2)CC1	REAL300013364630	0	44	0.0	-59.51	337.52	9.23	-50.28
O=C([O-])[C@H]1CC[C@@H](NC2=CC(N3CCSCC3)=[NH+]C=N2)CC1	REAL300013364630	1	44	0.0	-62.80	339.43	8.62	-54.18
O=C([O-])[C@H]1CC[C@@H](NC2=CC(N3CCCCC3)=NC=[NH+]2)CC1	REAL300013364642	0	46	0.0	-55.51	338.05	9.33	-46.18
O=C([O-])[C@H]1CC[C@@H](NC2=CC(N3CCCCC3)=[NH+]C=N2)CC1	REAL300013364642	1	46	0.0	-59.86	335.66	9.18	-50.68
O=C([O-])[C@H]1CC[C@@H](NC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CC1	REAL300013364643	0	50	0.0	-58.52	371.24	6.68	-51.84
O=C([O-])[C@H]1CC[C@@H](NC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CC1	REAL300013364643	1	50	0.0	-64.78	368.73	6.52	-58.26
CCCC1=[NH+]C2=CC=CC=C2C(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013364644	0	47	0.0	-55.54	356.05	10.56	-44.98
COC1=CC=C(NC2=CC(N[C@H]3CC[C@@H](C(=O)[O-])CC3)=[NH+]C=N2)C(OC)=C1	REAL300013364646	1	51	0.0	-55.62	394.68	8.81	-46.81
COC1=CC2=NC(N[C@H]3CC[C@@H](C(=O)[O-])CC3)=[NH+]C(N)=C2C=C1OC	REAL300013364668	0	47	0.0	-66.88	359.23	7.95	-58.93
O=C([O-])[C@H]1CC[C@@H](NC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)CC1	REAL300013364675	0	41	0.0	-64.54	330.36	9.47	-55.07
O=C([O-])[C@H]1CC[C@@H](NC2=CC=[NH+]C3=CC=C(Cl)C=C23)CC1	REAL300013364682	1	38	0.0	-65.99	308.47	8.98	-57.01
CC(C)(C)C1=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=NC(C(C)(C)C)=[NH+]1	REAL300013364684	1	55	0.0	-55.85	400.33	11.20	-44.65
O=C([O-])[C@H]1CC[C@@H](NC2=CC(N3CCOCC3)=NC=[NH+]2)CC1	REAL300013364691	0	44	0.0	-58.24	330.58	6.93	-51.31
O=C([O-])[C@H]1CC[C@@H](NC2=CC(N3CCOCC3)=[NH+]C=N2)CC1	REAL300013364691	1	44	0.0	-62.76	326.88	6.73	-56.03
CC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013364696	1	46	0.0	-70.01	368.94	11.29	-58.72
O=C([O-])[C@H]1CC[C@@H](NC2=CC=[NH+]C3=CC(Cl)=CC=C23)CC1	REAL300013364720	1	38	0.0	-61.77	307.20	8.93	-52.84
O=C([O-])[C@H]1CC[C@@H](NC2=CC=[NH+]C3=CC(Br)=CC=C23)CC1	REAL300013364729	1	38	0.0	-61.98	311.75	9.03	-52.95
CC1=[NH+]C2=CC=C(Br)C=C2C(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1C	REAL300013364755	0	44	0.0	-65.35	346.61	9.94	-55.41
NC1=[NH+]C(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=CC(N2C=CC=N2)=N1	REAL300013364781	0	40	0.0	-55.15	318.17	8.56	-46.59
O=C([O-])[C@H]1CC[C@@H](NC2=[NH+]C=CC(N3CCOCC3)=N2)CC1	REAL300013364784	0	44	0.0	-65.46	329.79	7.72	-57.74
COC1=CC=CC2=C(N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=C(C)[NH+]=C12	REAL300013364789	1	45	0.0	-54.34	341.44	8.46	-45.88
CCOC(=O)C1=C(N[C@H]2CC[C@@H](C(=O)[O-])CC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013364790	1	50	0.0	-69.74	380.29	8.37	-61.37
CCOC(=O)C1=C(N[C@H]2CC[C@@H](C(=O)[O-])CC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013364791	1	53	0.0	-63.48	391.32	10.96	-52.52
CC(C)C1=[NH+]C(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=NC(N(C)C)=N1	REAL300013364803	1	47	0.0	-54.03	355.01	12.83	-41.20
CC(C)C1=NC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=NC(N(C)C)=[NH+]1	REAL300013364803	1	47	0.0	-55.38	356.57	12.90	-42.48
O=C([O-])[C@H]1CC[C@@H](NC2=CC=[NH+]C(N3CCCCC3)=N2)CC1	REAL300013364809	0	46	0.0	-63.19	339.35	9.78	-53.41
CCC1=C(N[C@H]2CC[C@@H](C(=O)[O-])CC2)C2=CC=CC=C2[NH+]=C1C	REAL300013364819	0	47	0.0	-58.21	340.32	9.76	-48.45
O=C([O-])[C@H]1CC[C@@H](NC2=CC(N3CCCCC3CO)=NC=[NH+]2)CC1	REAL300013364825	0	50	0.0	-57.16	370.15	6.48	-50.68
O=C([O-])[C@H]1CC[C@@H](NC2=CC(N3CCCCC3CO)=[NH+]C=N2)CC1	REAL300013364825	1	50	0.0	-61.23	369.92	6.01	-55.22
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013364830	0	43	0.0	-73.08	341.16	9.71	-63.37
CN1CCN(C2=CC(N[C@H]3CC[C@@H](C(=O)[O-])CC3)=[NH+]C=N2)CC1=O	REAL300013364840	0	47	0.0	-65.03	353.99	7.16	-57.87
CN1CCN(C2=CC(N[C@H]3CC[C@@H](C(=O)[O-])CC3)=NC=[NH+]2)CC1=O	REAL300013364840	1	47	0.0	-71.84	354.20	7.18	-64.66
CC(C)C1OCCCC1NC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=[NH+]C=N1	REAL300013364850	0	56	0.0	-56.59	407.31	9.92	-46.67
CC(C)C1OCCCC1NC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=NC=[NH+]1	REAL300013364850	1	56	0.0	-61.42	406.54	10.11	-51.31
COC1=CC=CC2=C(N[C@H]3CC[C@@H](C(=O)[O-])CC3)C(C)=C[NH+]=C12	REAL300013364860	1	45	0.0	-56.88	332.61	8.09	-48.79
O=C([O-])[C@H]1CC[C@@H](NC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)CC1	REAL300013364870	0	49	0.0	-68.55	379.28	11.25	-57.30
O=C([O-])[C@H]1CC[C@@H](NC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)CC1	REAL300013364875	1	45	0.0	-51.29	360.07	11.41	-39.88
CCCCNC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=NC(N)=[NH+]1	REAL300013364882	0	47	0.0	-59.37	356.82	8.33	-51.04
CCCCNC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=[NH+]C(N)=N1	REAL300013364882	1	47	0.0	-53.16	358.14	8.37	-44.79
CC(C)NC1=[NH+]C(NCCO)=NC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013364893	0	50	0.0	-56.51	386.41	9.25	-47.26
CC(C)NC1=NC(NCCO)=[NH+]C(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013364893	1	50	0.0	-56.05	385.06	9.18	-46.87
CC(C)NC1=NC(NCCO)=NC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=[NH+]1	REAL300013364893	1	50	0.0	-55.11	384.40	9.17	-45.94
CCNC1=NC(NC(C)(C)C)=NC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=[NH+]1	REAL300013364906	0	52	0.0	-54.58	386.25	13.42	-41.16
CCNC1=[NH+]C(NC(C)(C)C)=NC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013364906	1	52	0.0	-53.70	386.28	13.18	-40.52
CCNC1=NC(NC(C)(C)C)=[NH+]C(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013364906	1	52	0.0	-51.09	381.15	13.00	-38.09
CN(C1=CC=CC=C1)C1=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=[NH+]C=N1	REAL300013364921	1	46	0.0	-57.80	355.61	11.11	-46.69
O=C([O-])[C@H]1CC[C@@H](NC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)CC1	REAL300013364944	1	38	0.0	-67.83	314.23	9.03	-58.80
CC(O)C1CCN(C2=CC(N[C@H]3CC[C@@H](C(=O)[O-])CC3)=[NH+]C=N2)C1	REAL300013364945	0	50	0.0	-57.46	371.68	6.60	-50.86
CC(O)C1CCN(C2=CC(N[C@H]3CC[C@@H](C(=O)[O-])CC3)=NC=[NH+]2)C1	REAL300013364945	1	50	0.0	-61.79	363.31	6.61	-55.18
O=C([O-])[C@H]1CC[C@@H](NC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CC1	REAL300013364947	1	41	0.0	-61.89	317.37	10.42	-51.47
CCCC1=CC2=C(N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013364950	0	47	0.0	-61.48	354.94	10.63	-50.85
CC(C)OC1=CC2=C(N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013364952	0	48	0.0	-66.43	361.06	9.32	-57.11
CC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013365046	1	43	0.0	-61.30	335.77	8.82	-52.48
CCC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013365047	1	49	0.0	-68.24	390.46	12.03	-56.21
O=C([O-])[C@H]1CC[C@@H](NC2=CC=[NH+]C3=CC=C(Br)C=C23)CC1	REAL300013365068	1	38	0.0	-65.49	311.86	9.04	-56.45
O=C([O-])[C@H]1CC[C@@H](NC2=CC=[NH+]C3=C(Br)C=CC=C23)CC1	REAL300013365075	1	38	0.0	-56.75	309.11	9.12	-47.63
CCOC1=CC2=[NH+]C=CC(N[C@H]3CC[C@@H](C(=O)[O-])CC3)=C2C=C1OCC	REAL300013365085	0	52	0.0	-64.93	393.96	9.56	-55.37
CCC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013365087	1	46	0.0	-62.49	357.30	9.57	-52.92
COC1=CC2=[NH+]C=CC(N[C@H]3CC[C@@H](C(=O)[O-])CC3)=C2C=C1Br	REAL300013365124	0	42	0.0	-66.93	340.35	8.40	-58.53
CC1(C)CCCN(C2=CC=[NH+]C(N[C@H]3CC[C@@H](C(=O)[O-])CC3)=N2)C1	REAL300013365132	0	52	0.0	-63.05	375.22	11.55	-51.50
CC1=CC2=C(N[C@H]3CC[C@@H](C(=O)[O-])CC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013365137	0	51	0.0	-55.36	368.63	10.99	-44.37
CC1=CC(C(F)(F)F)=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=[NH+]1	REAL300013365140	0	38	0.0	-55.67	307.28	8.62	-47.05
O=C([O-])[C@H]1CC[C@@H](NC2=CC(NC3=CC=CC=C3)=NC=[NH+]2)CC1	REAL300013365142	1	43	0.0	-56.11	333.73	10.10	-46.01
O=C([O-])[C@H]1CC[C@@H](NC2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CC1	REAL300013365142	1	43	0.0	-61.97	333.49	10.09	-51.88
COC1=CC2=[NH+]C=CC(N[C@H]3CC[C@@H](C(=O)[O-])CC3)=C2C=C1OC	REAL300013365145	0	46	0.0	-64.53	348.81	7.66	-56.87
O=C([O-])[C@H]1CC[C@@H](NC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CC1	REAL300013365173	0	47	0.0	-65.86	360.81	11.32	-54.54
CC1=CC=C2C(N[C@H]3CC[C@@H](C(=O)[O-])CC3)=CC(C)=[NH+]C2=C1Cl	REAL300013365199	0	44	0.0	-53.14	344.82	10.14	-43.00
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013365201	0	46	0.0	-58.69	355.04	10.02	-48.67
CC1=NC(NC2=CC=CC=C2)=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=[NH+]1	REAL300013365201	1	46	0.0	-51.87	355.06	10.03	-41.84
CC1=[NH+]C=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1Br	REAL300013365204	0	35	0.0	-64.66	284.50	7.40	-57.26
CN(C1=CC=[NH+]C(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013365206	0	52	0.0	-62.56	377.60	12.76	-49.80
CC1=CC(N(C)C(C)C)=NC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=[NH+]1	REAL300013365207	0	48	0.0	-57.80	357.60	11.39	-46.41
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=[NH+]1	REAL300013365210	0	49	0.0	-56.51	381.46	13.45	-43.06
CC1=CC(N2C=CC=N2)=NC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=[NH+]1	REAL300013365211	1	41	0.0	-60.46	325.16	10.57	-49.89
CC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013365214	0	48	0.0	-58.64	355.81	11.35	-47.29
CN(C1=[NH+]C=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013365217	0	52	0.0	-63.24	375.89	12.64	-50.60
CC1=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013365219	1	49	0.0	-61.28	377.62	13.29	-47.99
O=C([O-])[C@H]1CC[C@@H](NC2=C3C=CNC3=NC(C3CC3)=[NH+]2)CC1	REAL300013365261	0	42	0.0	-53.39	325.60	9.82	-43.57
O=C([O-])[C@H]1CC[C@@H](NC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)CC1	REAL300013365262	0	42	0.0	-64.11	337.72	8.27	-55.84
CN(C)C1=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=[NH+]C(N(C)C)=N1	REAL300013365266	0	47	0.0	-50.96	353.21	10.89	-40.07
CN(C)C1=CC(N[C@H]2CC[C@@H](C(=O)[O-])CC2)=NC(N(C)C)=[NH+]1	REAL300013365266	1	47	0.0	-57.39	349.92	10.76	-46.63
CC1=C(Cl)C2=[NH+]C=CC(N[C@H]3CC[C@@H](C(=O)[O-])CC3)=C2C=C1	REAL300013365273	1	41	0.0	-57.21	324.85	9.61	-47.60
CC1=NN(C2=CC=CC=C2)C(C)=C1CN(C)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013365276	0	45	0.0	-57.65	359.07	10.62	-47.03
CC1C[N@H+](CC(O)CNC2=NC=C(C(=O)[O-])C=C2Cl)CCO1	REAL300013365306	1	42	0.0	-71.05	348.13	3.70	-67.35
CC1C[N@@H+](CC(O)CNC2=NC=C(C(=O)[O-])C=C2Cl)CCO1	REAL300013365306	1	42	0.0	-70.49	341.20	3.67	-66.82
CC1C[N@H+](CC(O)CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCO1	REAL300013365307	1	45	0.0	-107.49	361.02	4.09	-103.40
CC1C[N@@H+](CC(O)CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCO1	REAL300013365307	1	45	0.0	-107.19	354.59	4.02	-103.17
O=C([O-])C1=CC=CC(N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)=N1	REAL300013365308	1	52	0.0	-69.35	390.93	10.04	-59.31
O=C([O-])C1=CC=CC(N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)=N1	REAL300013365308	1	52	0.0	-80.59	392.29	9.50	-71.09
O=C([O-])C1=CC=C[NH+]=C1N1CCCC2(CN(CC3=CC=CC=C3)CCO2)C1	REAL300013365309	0	52	0.0	-55.83	388.20	8.96	-46.87
O=C([O-])C1=CC=CC(N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)=N1	REAL300013365310	1	52	0.0	-69.35	390.93	10.04	-59.31
O=C([O-])C1=CC=CC(N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)=N1	REAL300013365310	1	52	0.0	-80.59	392.29	9.50	-71.09
O=C([O-])C1=CC=CC(N2CCCC3(C2)C[N@H+](CC2=CC=CC=C2)CCO3)=N1	REAL300013365311	1	52	0.0	-69.35	390.93	10.04	-59.31
O=C([O-])C1=CC=CC(N2CCCC3(C2)C[N@@H+](CC2=CC=CC=C2)CCO3)=N1	REAL300013365311	1	52	0.0	-80.59	392.29	9.50	-71.09
CCOC(=O)C1=CC2=C(CN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)S1	REAL300013365313	0	39	0.0	-54.05	337.33	9.89	-44.16
CC1=CC=[NH+]C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1Br	REAL300013365329	1	38	0.0	-67.81	311.20	9.05	-58.76
CC1=[NH+]C2=CC=C(F)C=C2C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300013365330	0	44	0.0	-65.87	344.99	9.59	-56.28
O=C([O-])[C@H]1CC[C@H](CNC2=CC(N3CCSCC3)=NC=[NH+]2)CC1	REAL300013365337	0	47	0.0	-69.71	364.40	9.75	-59.96
O=C([O-])[C@H]1CC[C@H](CNC2=CC(N3CCSCC3)=[NH+]C=N2)CC1	REAL300013365337	1	47	0.0	-68.98	362.06	9.30	-59.68
O=C([O-])[C@H]1CC[C@H](CNC2=CC(NCC3CC3)=NC=[NH+]2)CC1	REAL300013365345	0	46	0.0	-65.36	357.27	9.47	-55.89
O=C([O-])[C@H]1CC[C@H](CNC2=CC(NCC3CC3)=[NH+]C=N2)CC1	REAL300013365345	1	46	0.0	-66.37	355.94	9.44	-56.93
O=C([O-])[C@H]1CC[C@H](CNC2=CC(N3CCCC3)=NC=[NH+]2)CC1	REAL300013365356	0	46	0.0	-66.34	348.19	9.11	-57.23
O=C([O-])[C@H]1CC[C@H](CNC2=CC(N3CCCC3)=[NH+]C=N2)CC1	REAL300013365356	1	46	0.0	-65.17	347.55	8.78	-56.39
O=C([O-])[C@H]1CC[C@H](CNC2=CC(N3CCCCC3)=NC=[NH+]2)CC1	REAL300013365357	0	49	0.0	-65.29	363.73	9.84	-55.45
O=C([O-])[C@H]1CC[C@H](CNC2=CC(N3CCCCC3)=[NH+]C=N2)CC1	REAL300013365357	1	49	0.0	-65.09	361.30	9.69	-55.40
O=C([O-])[C@H]1CC[C@H](CNC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CC1	REAL300013365358	0	53	0.0	-69.25	396.66	7.14	-62.11
O=C([O-])[C@H]1CC[C@H](CNC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CC1	REAL300013365358	1	53	0.0	-67.68	398.16	6.67	-61.01
CCCC1=[NH+]C2=CC=CC=C2C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300013365359	0	50	0.0	-60.83	381.52	11.04	-49.79
COC1=CC=C(NC2=CC(NC[C@H]3CC[C@H](C(=O)[O-])CC3)=[NH+]C=N2)C(OC)=C1	REAL300013365362	1	54	0.0	-70.00	416.31	10.28	-59.72
COC1=CC2=NC(NC[C@H]3CC[C@H](C(=O)[O-])CC3)=[NH+]C(N)=C2C=C1OC	REAL300013365390	0	50	0.0	-71.03	384.27	8.38	-62.65
O=C([O-])[C@H]1CC[C@H](CNC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)CC1	REAL300013365403	0	44	0.0	-69.12	354.86	9.92	-59.20
O=C([O-])[C@H]1CC[C@H](CNC2=CC=[NH+]C3=CC=C(Cl)C=C23)CC1	REAL300013365414	1	41	0.0	-68.50	332.67	9.44	-59.06
O=C([O-])[C@H]1CC[C@H](CNC2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300013365417	1	38	0.0	-70.47	313.19	8.62	-61.85
CC(C)(C)C1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC(C(C)(C)C)=[NH+]1	REAL300013365418	1	58	0.0	-60.11	425.91	11.70	-48.41
O=C([O-])[C@H]1CC[C@H](CNC2=CC(N3CCOCC3)=NC=[NH+]2)CC1	REAL300013365426	0	47	0.0	-68.50	356.16	7.40	-61.10
O=C([O-])[C@H]1CC[C@H](CNC2=CC(N3CCOCC3)=[NH+]C=N2)CC1	REAL300013365426	1	47	0.0	-67.43	352.39	7.24	-60.19
CC1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013365433	1	49	0.0	-74.29	394.52	11.81	-62.48
CC1=CC2=[NH+]C(NC[C@H]3CC[C@H](C(=O)[O-])CC3)=CC(C)=C2C=C1	REAL300013365446	1	47	0.0	-60.52	359.17	10.91	-49.61
O=C([O-])[C@H]1CC[C@H](CNC2=CC=[NH+]C3=CC(Cl)=CC=C23)CC1	REAL300013365464	1	41	0.0	-66.47	332.67	9.43	-57.04
O=C([O-])[C@H]1CC[C@H](CNC2=CC=[NH+]C3=CC(Br)=CC=C23)CC1	REAL300013365477	1	41	0.0	-66.74	337.22	9.53	-57.21
CC1=[NH+]C2=CC=C(Br)C=C2C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1C	REAL300013365507	0	47	0.0	-66.30	376.19	10.66	-55.64
CC(O)CNC1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=[NH+]C=N1	REAL300013365528	0	46	0.0	-67.19	358.18	5.34	-61.85
CC(O)CNC1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC=[NH+]1	REAL300013365528	1	46	0.0	-67.19	356.86	5.32	-61.87
NC1=[NH+]C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=CC(N2C=CC=N2)=N1	REAL300013365536	0	43	0.0	-66.19	344.96	9.07	-57.12
O=C([O-])[C@H]1CC[C@H](CNC2=[NH+]C=CC(N3CCOCC3)=N2)CC1	REAL300013365540	0	47	0.0	-69.97	354.78	8.13	-61.84
COC1=CC=CC2=C(NC[C@H]3CC[C@H](C(=O)[O-])CC3)C=C(C)[NH+]=C12	REAL300013365545	1	48	0.0	-59.33	365.60	8.92	-50.41
CCOC(=O)C1=C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013365546	1	56	0.0	-68.38	425.08	12.00	-56.38
CCC1=[NH+]C2=CC=CC=C2C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300013365557	0	47	0.0	-60.76	360.02	10.27	-50.49
O=C([O-])[C@H]1CC[C@H](CNC2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300013365561	1	38	0.0	-70.47	313.19	8.62	-61.85
CC(C)C1=[NH+]C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC(N(C)C)=N1	REAL300013365571	1	50	0.0	-60.95	381.22	13.27	-47.68
CC(C)C1=NC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC(N(C)C)=[NH+]1	REAL300013365571	1	50	0.0	-60.61	381.72	13.19	-47.42
O=C([O-])[C@H]1CC[C@H](CNC2=CC=[NH+]C(N3CCCCC3)=N2)CC1	REAL300013365577	0	49	0.0	-66.64	364.99	10.28	-56.36
CCC1=C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)C2=CC=CC=C2[NH+]=C1C	REAL300013365590	0	50	0.0	-62.75	376.22	10.83	-51.92
O=C([O-])[C@H]1CC[C@H](CNC2=CC(N3CCCCC3CO)=NC=[NH+]2)CC1	REAL300013365597	0	53	0.0	-67.15	396.11	6.47	-60.68
O=C([O-])[C@H]1CC[C@H](CNC2=CC(N3CCCCC3CO)=[NH+]C=N2)CC1	REAL300013365597	1	53	0.0	-65.10	395.04	6.32	-58.78
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300013365601	0	46	0.0	-74.54	365.31	10.16	-64.38
CC1=[NH+]C2=CC=CC=C2C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1C	REAL300013365607	0	47	0.0	-62.55	355.92	10.09	-52.46
CC1=C2[NH+]=CC(C)=C(NC[C@H]3CC[C@H](C(=O)[O-])CC3)C2=CC=C1	REAL300013365614	0	47	0.0	-65.20	352.22	10.15	-55.05
O=C([O-])[C@H]1CC[C@H](CNC2=CC=[NH+]C=C2Br)CC1	REAL300013365616	1	35	0.0	-69.44	291.74	7.41	-62.03
CN1CCN(C2=CC(NC[C@H]3CC[C@H](C(=O)[O-])CC3)=[NH+]C=N2)CC1=O	REAL300013365617	0	50	0.0	-74.30	380.49	7.83	-66.47
CN1CCN(C2=CC(NC[C@H]3CC[C@H](C(=O)[O-])CC3)=NC=[NH+]2)CC1=O	REAL300013365617	1	50	0.0	-76.71	378.08	7.65	-69.06
CC(C)C1OCCCC1NC1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=[NH+]C=N1	REAL300013365629	0	59	0.0	-65.69	432.69	10.39	-55.30
CC(C)C1OCCCC1NC1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC=[NH+]1	REAL300013365629	1	59	0.0	-68.93	434.12	10.43	-58.50
CCOC(=O)C1=C[NH+]=CC=C1NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013365631	1	44	0.0	-74.69	344.64	8.53	-66.16
COC1=CC=CC2=C(NC[C@H]3CC[C@H](C(=O)[O-])CC3)C(C)=C[NH+]=C12	REAL300013365640	1	48	0.0	-62.88	366.47	9.00	-53.88
O=C([O-])[C@H]1CC[C@H](CNC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)CC1	REAL300013365652	0	52	0.0	-71.04	406.06	11.80	-59.24
CCCCNC1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC(N)=[NH+]1	REAL300013365667	0	50	0.0	-63.11	382.41	8.82	-54.29
CCCCNC1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=[NH+]C(N)=N1	REAL300013365667	1	50	0.0	-61.33	382.41	8.80	-52.53
O=C([O-])[C@H]1CC[C@H](CNC2=CC=[NH+]C=C2Br)CC1	REAL300013365675	1	35	0.0	-69.44	291.74	7.41	-62.03
CC(C)NC1=NC(NCCO)=[NH+]C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013365680	0	53	0.0	-62.99	411.27	9.63	-53.36
CC(C)NC1=NC(NCCO)=NC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=[NH+]1	REAL300013365680	1	53	0.0	-61.80	410.61	9.60	-52.20
CC(C)NC1=[NH+]C(NCCO)=NC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013365680	1	53	0.0	-62.08	410.62	9.61	-52.47
O=C([O-])[C@H]1CC[C@H](CNC2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300013365690	1	38	0.0	-70.47	313.19	8.62	-61.85
CCNC1=[NH+]C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC(NC(C)(C)C)=N1	REAL300013365695	0	55	0.0	-61.23	412.45	13.86	-47.37
CCNC1=NC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC(NC(C)(C)C)=[NH+]1	REAL300013365695	1	55	0.0	-60.60	414.50	13.93	-46.67
CCNC1=NC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=[NH+]C(NC(C)(C)C)=N1	REAL300013365695	1	55	0.0	-60.81	414.49	13.93	-46.88
CN(C1=CC=CC=C1)C1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=[NH+]C=N1	REAL300013365717	1	49	0.0	-69.36	382.50	11.64	-57.72
O=C([O-])[C@H]1CC[C@H](CNC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)CC1	REAL300013365742	1	41	0.0	-71.98	339.79	9.51	-62.47
CC(O)C1CCN(C2=CC(NC[C@H]3CC[C@H](C(=O)[O-])CC3)=[NH+]C=N2)C1	REAL300013365743	0	53	0.0	-68.43	393.72	6.76	-61.67
CC(O)C1CCN(C2=CC(NC[C@H]3CC[C@H](C(=O)[O-])CC3)=NC=[NH+]2)C1	REAL300013365743	1	53	0.0	-65.51	394.94	6.81	-58.70
O=C([O-])[C@H]1CC[C@H](CNC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CC1	REAL300013365745	1	44	0.0	-68.38	343.47	10.87	-57.51
CCCC1=CC2=C(NC[C@H]3CC[C@H](C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013365749	0	50	0.0	-65.30	381.64	11.15	-54.15
CCC1=CC2=C(NC[C@H]3CC[C@H](C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013365750	0	47	0.0	-64.46	358.82	10.33	-54.13
CC(C)OC1=CC2=C(NC[C@H]3CC[C@H](C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013365753	0	51	0.0	-68.44	386.42	9.80	-58.64
CC1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013365852	1	46	0.0	-66.01	362.64	9.38	-56.63
CCC1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013365854	1	52	0.0	-73.12	415.96	12.55	-60.57
O=C([O-])[C@H]1CC[C@H](CNC2=CC=[NH+]C3=CC=C(Br)C=C23)CC1	REAL300013365877	1	41	0.0	-69.32	338.55	9.57	-59.75
O=C([O-])[C@H]1CC[C@H](CNC2=CC=[NH+]C3=C(Br)C=CC=C23)CC1	REAL300013365883	1	41	0.0	-62.78	334.59	9.63	-53.15
CCOC1=CC2=[NH+]C=CC(NC[C@H]3CC[C@H](C(=O)[O-])CC3)=C2C=C1OCC	REAL300013365896	0	55	0.0	-68.68	418.07	10.00	-58.68
CCC1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013365898	1	49	0.0	-66.69	382.94	10.10	-56.59
O=C([O-])[C@H]1CC[C@H](CNC2=[NH+]C=CC(N3CCCC3)=N2)CC1	REAL300013365910	0	46	0.0	-67.10	346.01	9.91	-57.19
O=C([O-])[C@H]1CC[C@H](CNC2=CC=[NH+]C3=CC(F)=CC=C23)CC1	REAL300013365931	0	41	0.0	-66.85	322.36	9.00	-57.85
COC1=CC2=[NH+]C=CC(NC[C@H]3CC[C@H](C(=O)[O-])CC3)=C2C=C1Br	REAL300013365945	0	45	0.0	-70.38	365.72	8.90	-61.48
O=C([O-])[C@H]1CC[C@H](CNC2=[NH+]C=CC3=CC(F)=CC=C32)CC1	REAL300013365948	1	41	0.0	-67.01	322.18	10.20	-56.81
CC1(C)CCCN(C2=CC=[NH+]C(NC[C@H]3CC[C@H](C(=O)[O-])CC3)=N2)C1	REAL300013365956	0	55	0.0	-70.80	402.91	11.50	-59.30
CC1=CC2=C(NC[C@H]3CC[C@H](C(=O)[O-])CC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013365961	0	54	0.0	-62.32	406.44	12.09	-50.23
CC1=CC(C(F)(F)F)=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=[NH+]1	REAL300013365964	0	41	0.0	-66.18	334.35	9.18	-57.00
O=C([O-])[C@H]1CC[C@H](CNC2=CC(NC3=CC=CC=C3)=NC=[NH+]2)CC1	REAL300013365966	1	46	0.0	-67.90	361.67	11.37	-56.53
O=C([O-])[C@H]1CC[C@H](CNC2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CC1	REAL300013365966	1	46	0.0	-64.92	359.65	11.09	-53.83
COC1=CC2=[NH+]C=CC(NC[C@H]3CC[C@H](C(=O)[O-])CC3)=C2C=C1OC	REAL300013365970	0	49	0.0	-69.51	375.68	8.20	-61.31
O=C([O-])[C@H]1CC[C@H](CNC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CC1	REAL300013366007	0	50	0.0	-69.84	385.28	11.63	-58.21
CC1=CC=C2C(NC[C@H]3CC[C@H](C(=O)[O-])CC3)=CC(C)=[NH+]C2=C1Cl	REAL300013366037	0	47	0.0	-59.46	370.31	10.66	-48.80
CC1=NC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013366039	0	49	0.0	-61.30	379.91	10.98	-50.32
CC1=[NH+]C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=CC(NC2=CC=CC=C2)=N1	REAL300013366039	1	49	0.0	-64.56	382.84	11.32	-53.24
CC1=[NH+]C=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1Br	REAL300013366042	0	38	0.0	-67.36	309.91	7.89	-59.47
CN(C1=CC=[NH+]C(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013366044	0	55	0.0	-65.81	401.29	13.13	-52.68
CC1=CC(N(C)C(C)C)=NC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=[NH+]1	REAL300013366045	0	51	0.0	-62.56	382.55	11.78	-50.78
O=C([O-])[C@H]1CC[C@H](CNC2=[NH+]C=CC(N3C=CN=C3)=N2)CC1	REAL300013366046	1	41	0.0	-78.37	326.08	11.61	-66.76
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=[NH+]1	REAL300013366049	0	52	0.0	-66.92	402.68	12.93	-53.99
CC1=CC(N2C=CC=N2)=NC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=[NH+]1	REAL300013366050	1	44	0.0	-66.12	350.11	10.98	-55.14
CC1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013366053	0	51	0.0	-61.71	381.36	11.85	-49.86
CN(C1=[NH+]C=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013366056	0	55	0.0	-66.33	402.77	13.19	-53.14
CC1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013366058	1	52	0.0	-64.61	404.52	13.85	-50.76
O=C([O-])[C@H]1CC[C@H](CNC2=C3C=CNC3=NC(C3CC3)=[NH+]2)CC1	REAL300013366103	0	45	0.0	-61.23	349.07	10.20	-51.03
O=C([O-])[C@H]1CC[C@H](CNC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)CC1	REAL300013366104	0	45	0.0	-68.11	361.86	8.71	-59.40
CN(C)C1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=[NH+]C(N(C)C)=N1	REAL300013366108	0	50	0.0	-59.57	376.25	11.52	-48.05
CN(C)C1=CC(NC[C@H]2CC[C@H](C(=O)[O-])CC2)=NC(N(C)C)=[NH+]1	REAL300013366108	1	50	0.0	-60.19	373.41	11.26	-48.93
CC1=C(Cl)C2=[NH+]C=CC(NC[C@H]3CC[C@H](C(=O)[O-])CC3)=C2C=C1	REAL300013366116	1	44	0.0	-63.33	350.31	10.10	-53.23
O=C([O-])C1=CC=CC(NCC2(CO)COCC3CCCC[N@@H+]32)=N1	REAL300013366134	1	46	0.0	-78.96	334.51	3.84	-75.12
O=C([O-])C1=CC=CC(NCC2(CO)COCC3CCCC[N@H+]32)=N1	REAL300013366134	1	46	0.0	-79.16	334.57	3.84	-75.32
O=C([O-])C1=CC=CN=C1NCC1(CO)COCC2CCCC[N@@H+]21	REAL300013366135	1	46	0.0	-59.88	330.23	4.40	-55.48
O=C([O-])C1=CC=CN=C1NCC1(CO)COCC2CCCC[N@H+]21	REAL300013366135	1	46	0.0	-61.20	330.25	4.41	-56.79
O=C([O-])C1=CC=CC(NCC2(CO)COCC3CCCC[N@@H+]32)=N1	REAL300013366137	1	46	0.0	-78.96	334.51	3.84	-75.12
O=C([O-])C1=CC=CC(NCC2(CO)COCC3CCCC[N@H+]32)=N1	REAL300013366137	1	46	0.0	-79.16	334.57	3.84	-75.32
O=C([O-])C1=CC=CC(NCC2(CO)COCC3CCCC[N@@H+]32)=N1	REAL300013366138	1	46	0.0	-78.96	334.51	3.84	-75.12
O=C([O-])C1=CC=CC(NCC2(CO)COCC3CCCC[N@H+]32)=N1	REAL300013366138	1	46	0.0	-79.16	334.57	3.84	-75.32
O=C([O-])C1=CC2=C(NCC3(CO)COCC4CCCC[N@@H+]43)N=CNC2=N1	REAL300013366139	1	49	0.0	-102.60	363.17	5.03	-97.57
O=C([O-])C1=CC2=C(NCC3(CO)COCC4CCCC[N@H+]43)N=CNC2=N1	REAL300013366139	1	49	0.0	-92.57	365.26	4.72	-87.85
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCC(CC(=O)[O-])CC2)=C1	REAL300013366151	0	41	0.0	-60.05	323.05	8.98	-51.07
O=C([O-])CC1CCN(C2=CC(N3CCSCC3)=NC=[NH+]2)CC1	REAL300013366157	0	44	0.0	-59.22	336.51	8.80	-50.42
O=C([O-])CC1CCN(C2=CC(N3CCSCC3)=[NH+]C=N2)CC1	REAL300013366157	1	44	0.0	-61.31	337.88	8.52	-52.79
O=C([O-])CC1CCN(C2=CC(N3CCCCC3)=[NH+]C=N2)CC1	REAL300013366169	0	46	0.0	-58.46	337.16	8.91	-49.55
O=C([O-])CC1CCN(C2=CC(N3CCCCC3)=NC=[NH+]2)CC1	REAL300013366169	1	46	0.0	-56.25	337.15	8.91	-47.34
O=C([O-])CC1CCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CC1	REAL300013366170	0	50	0.0	-58.93	368.75	6.20	-52.73
O=C([O-])CC1CCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CC1	REAL300013366170	1	50	0.0	-62.30	368.80	6.20	-56.10
CCCC1=[NH+]C2=CC=CC=C2C(N2CCC(CC(=O)[O-])CC2)=C1	REAL300013366171	0	47	0.0	-53.26	352.78	9.95	-43.31
COC1=CC2=NC(N3CCC(CC(=O)[O-])CC3)=[NH+]C(N)=C2C=C1OC	REAL300013366195	0	47	0.0	-58.25	360.06	7.26	-50.99
O=C([O-])CC1CCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)CC1	REAL300013366202	0	41	0.0	-61.25	327.07	8.86	-52.39
O=C([O-])CC1CCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)CC1	REAL300013366209	1	38	0.0	-61.37	305.26	8.36	-53.01
CC(C)(C)C1=CC(N2CCC(CC(=O)[O-])CC2)=NC(C(C)(C)C)=[NH+]1	REAL300013366211	1	55	0.0	-50.83	400.39	10.85	-39.98
O=C([O-])CC1CCN(C2=CC(N3CCOCC3)=NC=[NH+]2)CC1	REAL300013366218	0	44	0.0	-58.26	328.26	6.46	-51.80
O=C([O-])CC1CCN(C2=CC(N3CCOCC3)=[NH+]C=N2)CC1	REAL300013366218	1	44	0.0	-59.97	328.24	6.47	-53.50
CC1=CC(N2CCC(CC(=O)[O-])CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013366223	1	46	0.0	-65.79	370.33	11.01	-54.78
O=C([O-])CC1CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC1	REAL300013366247	1	38	0.0	-58.94	305.25	8.36	-50.58
O=C([O-])CC1CCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)CC1	REAL300013366256	1	38	0.0	-59.04	309.80	8.46	-50.58
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCC(CC(=O)[O-])CC2)=C1C	REAL300013366282	0	44	0.0	-60.79	344.57	9.85	-50.94
NC1=[NH+]C(N2CCC(CC(=O)[O-])CC2)=CC(N2C=CC=N2)=N1	REAL300013366308	0	40	0.0	-56.91	317.11	8.11	-48.80
O=C([O-])CC1CCN(C2=[NH+]C=CC(N3CCOCC3)=N2)CC1	REAL300013366311	0	44	0.0	-58.72	330.58	7.01	-51.71
COC1=CC=CC2=C(N3CCC(CC(=O)[O-])CC3)C=C(C)[NH+]=C12	REAL300013366316	1	45	0.0	-52.47	344.98	8.34	-44.13
CCOC(=O)C1=C(N2CCC(CC(=O)[O-])CC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013366317	1	50	0.0	-69.18	386.83	8.81	-60.37
CCOC(=O)C1=C(N2CCC(CC(=O)[O-])CC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013366318	1	53	0.0	-61.79	396.14	11.47	-50.32
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCC(CC(=O)[O-])CC2)=N1	REAL300013366330	1	47	0.0	-53.68	355.39	11.91	-41.77
CC(C)C1=NC(N(C)C)=NC(N2CCC(CC(=O)[O-])CC2)=[NH+]1	REAL300013366330	1	47	0.0	-47.21	355.73	12.07	-35.14
O=C([O-])CC1CCN(C2=CC=[NH+]C(N3CCCCC3)=N2)CC1	REAL300013366336	0	46	0.0	-58.22	339.48	9.46	-48.76
CCC1=C(N2CCC(CC(=O)[O-])CC2)C2=CC=CC=C2[NH+]=C1C	REAL300013366346	0	47	0.0	-56.42	344.19	9.98	-46.44
O=C([O-])CC1CCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)CC1	REAL300013366352	0	50	0.0	-58.51	367.81	6.01	-52.50
O=C([O-])CC1CCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)CC1	REAL300013366352	1	50	0.0	-59.93	369.97	5.70	-54.23
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCC(CC(=O)[O-])CC2)=C1	REAL300013366357	0	43	0.0	-68.80	344.70	9.58	-59.22
CN1CCN(C2=CC(N3CCC(CC(=O)[O-])CC3)=[NH+]C=N2)CC1=O	REAL300013366367	0	47	0.0	-62.15	351.47	6.70	-55.45
CN1CCN(C2=CC(N3CCC(CC(=O)[O-])CC3)=NC=[NH+]2)CC1=O	REAL300013366367	1	47	0.0	-59.65	350.08	6.26	-53.39
CC(C)C1OCCCC1NC1=CC(N2CCC(CC(=O)[O-])CC2)=NC=[NH+]1	REAL300013366377	0	56	0.0	-58.51	407.89	9.82	-48.69
CC(C)C1OCCCC1NC1=CC(N2CCC(CC(=O)[O-])CC2)=[NH+]C=N1	REAL300013366377	1	56	0.0	-55.37	405.57	9.67	-45.70
O=C([O-])CC1CCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)CC1	REAL300013366397	0	49	0.0	-63.09	378.99	10.77	-52.32
O=C([O-])CC1CCN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)CC1	REAL300013366402	1	45	0.0	-49.06	356.69	10.80	-38.26
CCCCNC1=CC(N2CCC(CC(=O)[O-])CC2)=NC(N)=[NH+]1	REAL300013366409	0	47	0.0	-56.04	358.24	8.04	-48.00
CCCCNC1=CC(N2CCC(CC(=O)[O-])CC2)=[NH+]C(N)=N1	REAL300013366409	1	47	0.0	-51.90	355.84	7.87	-44.03
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC(CC(=O)[O-])CC2)=N1	REAL300013366420	0	50	0.0	-55.41	384.64	8.36	-47.05
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC(CC(=O)[O-])CC2)=N1	REAL300013366420	1	50	0.0	-48.69	385.78	8.43	-40.26
CC(C)NC1=NC(NCCO)=NC(N2CCC(CC(=O)[O-])CC2)=[NH+]1	REAL300013366420	1	50	0.0	-48.07	385.05	8.41	-39.66
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC(CC(=O)[O-])CC2)=N1	REAL300013366433	0	52	0.0	-51.99	384.34	12.32	-39.67
CCNC1=NC(NC(C)(C)C)=NC(N2CCC(CC(=O)[O-])CC2)=[NH+]1	REAL300013366433	1	52	0.0	-47.20	386.93	12.67	-34.53
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC(CC(=O)[O-])CC2)=N1	REAL300013366433	1	52	0.0	-45.06	383.79	12.31	-32.75
CC(O)C1CCN(C2=CC(N3CCC(CC(=O)[O-])CC3)=[NH+]C=N2)C1	REAL300013366472	0	50	0.0	-57.97	370.67	6.17	-51.80
CC(O)C1CCN(C2=CC(N3CCC(CC(=O)[O-])CC3)=NC=[NH+]2)C1	REAL300013366472	1	50	0.0	-57.94	370.30	5.90	-52.04
O=C([O-])CC1CCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CC1	REAL300013366474	1	41	0.0	-53.46	314.59	9.39	-44.07
CCCC1=CC2=C(N3CCC(CC(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013366477	0	47	0.0	-58.14	352.90	10.06	-48.08
CC(C)OC1=CC2=C(N3CCC(CC(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013366479	0	48	0.0	-61.27	357.70	8.71	-52.56
O=C([O-])CC1CCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)CC1	REAL300013366595	1	38	0.0	-61.37	309.82	8.46	-52.91
CCOC1=CC2=[NH+]C=CC(N3CCC(CC(=O)[O-])CC3)=C2C=C1OCC	REAL300013366612	0	52	0.0	-60.94	390.65	8.93	-52.01
CCC1=CC(N2CCC(CC(=O)[O-])CC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013366614	1	46	0.0	-57.79	358.75	9.29	-48.50
COC1=CC2=[NH+]C=CC(N3CCC(CC(=O)[O-])CC3)=C2C=C1Br	REAL300013366651	0	42	0.0	-62.20	338.29	7.83	-54.37
CC1(C)CCCN(C2=CC=[NH+]C(N3CCC(CC(=O)[O-])CC3)=N2)C1	REAL300013366659	0	52	0.0	-56.15	375.98	10.82	-45.33
CC1=CC2=C(N3CCC(CC(=O)[O-])CC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013366664	0	51	0.0	-55.30	374.24	11.19	-44.11
CC1=CC(C(F)(F)F)=CC(N2CCC(CC(=O)[O-])CC2)=[NH+]1	REAL300013366667	0	38	0.0	-55.21	306.46	8.05	-47.16
O=C([O-])CC1CCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CC1	REAL300013366669	1	43	0.0	-60.63	333.77	9.77	-50.86
COC1=CC2=[NH+]C=CC(N3CCC(CC(=O)[O-])CC3)=C2C=C1OC	REAL300013366672	0	46	0.0	-61.09	346.94	7.09	-54.00
O=C([O-])CC1CCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CC1	REAL300013366700	0	47	0.0	-58.47	359.79	10.48	-47.99
CC1=CC=C2C(N3CCC(CC(=O)[O-])CC3)=CC(C)=[NH+]C2=C1Cl	REAL300013366726	0	44	0.0	-50.75	342.86	9.59	-41.16
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCC(CC(=O)[O-])CC2)=N1	REAL300013366728	0	46	0.0	-53.86	355.68	10.13	-43.73
CC1=NC(NC2=CC=CC=C2)=CC(N2CCC(CC(=O)[O-])CC2)=[NH+]1	REAL300013366728	1	46	0.0	-52.41	352.88	9.54	-42.87
CC1=[NH+]C=CC(N2CCC(CC(=O)[O-])CC2)=C1Br	REAL300013366731	0	35	0.0	-62.92	288.93	7.24	-55.68
CN(C1=CC=[NH+]C(N2CCC(CC(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013366733	0	52	0.0	-54.57	377.73	11.91	-42.66
CC1=CC(N(C)C(C)C)=NC(N2CCC(CC(=O)[O-])CC2)=[NH+]1	REAL300013366734	0	48	0.0	-50.79	357.06	10.61	-40.18
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC(CC(=O)[O-])CC2)=[NH+]1	REAL300013366737	0	49	0.0	-54.97	378.49	11.80	-43.17
CC1=CC(N2C=CC=N2)=NC(N2CCC(CC(=O)[O-])CC2)=[NH+]1	REAL300013366738	1	41	0.0	-53.27	325.92	9.84	-43.43
CC1=CC(N2CCC(CC(=O)[O-])CC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013366741	0	48	0.0	-54.09	357.18	11.07	-43.02
CN(C1=[NH+]C=CC(N2CCC(CC(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013366744	0	52	0.0	-58.44	377.26	12.38	-46.06
CC1=CC(N2CCC(CC(=O)[O-])CC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013366746	1	49	0.0	-55.68	379.04	13.03	-42.65
O=C([O-])CC1CCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)CC1	REAL300013366788	0	42	0.0	-49.41	326.73	8.90	-40.51
O=C([O-])CC1CCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)CC1	REAL300013366789	0	42	0.0	-60.25	334.43	7.64	-52.61
CN(C)C1=CC(N2CCC(CC(=O)[O-])CC2)=NC(N(C)C)=[NH+]1	REAL300013366793	1	47	0.0	-52.91	349.23	10.48	-42.43
CN(C)C1=CC(N2CCC(CC(=O)[O-])CC2)=[NH+]C(N(C)C)=N1	REAL300013366793	1	47	0.0	-49.39	349.59	10.34	-39.05
CC1=C(Cl)C2=[NH+]C=CC(N3CCC(CC(=O)[O-])CC3)=C2C=C1	REAL300013366800	1	41	0.0	-54.40	321.71	9.02	-45.38
COC(=O)C1CC([NH+](C)C)CN(C2=CC=CC(C(=O)[O-])=N2)C1	REAL300013366804	0	43	0.0	-74.03	338.03	6.81	-67.22
COC(=O)C1CC([NH+](C)C)CN(C2=NC=CC=C2C(=O)[O-])C1	REAL300013366805	0	43	0.0	-61.25	332.56	8.23	-53.02
COC(=O)C1CC([NH+](C)C)CN(C2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013366806	0	43	0.0	-63.22	350.18	8.07	-55.15
COC(=O)C1CC([NH+](C)C)CN(C2=CC=CC(C(=O)[O-])=N2)C1	REAL300013366807	0	43	0.0	-74.03	338.03	6.81	-67.22
COC(=O)C1CC([NH+](C)C)CN(C2=CC=CC(C(=O)[O-])=N2)C1	REAL300013366808	0	43	0.0	-74.03	338.03	6.81	-67.22
COC(=O)C1CC([NH+](C)C)CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013366809	0	46	0.0	-90.49	357.03	9.12	-81.37
CC1([NH+]2CCOCC2)CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013366824	1	45	0.0	-102.39	340.23	7.43	-94.96
CCCC[N@@H+]1CCC(CNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013366932	0	43	0.0	-68.88	351.31	9.17	-59.71
CCCC[N@H+]1CCC(CNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013366932	1	43	0.0	-68.78	351.18	9.24	-59.54
CCCC[N@@H+]1CCC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013366933	0	46	0.0	-103.50	364.24	9.55	-93.95
CCCC[N@H+]1CCC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013366933	1	46	0.0	-103.09	364.32	9.53	-93.56
CCC(C)[N@@H+]1CCC(CNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013366952	0	43	0.0	-66.66	344.94	8.85	-57.81
CCC(C)[N@H+]1CCC(CNC2=NC=C(C(=O)[O-])C=C2Cl)C1	REAL300013366952	1	43	0.0	-66.95	344.97	8.86	-58.09
CCC(C)[N@@H+]1CCC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013366953	0	46	0.0	-100.76	358.12	9.19	-91.57
CCC(C)[N@H+]1CCC(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013366953	1	46	0.0	-101.02	357.98	9.18	-91.84
O=C([O-])C1=CN=C(NCC23CC(C2)C[N@@H+]3C2CC2)C(Cl)=C1	REAL300013366954	0	39	0.0	-60.92	325.67	8.69	-52.23
O=C([O-])C1=CN=C(NCC23CC(C2)C[N@H+]3C2CC2)C(Cl)=C1	REAL300013366954	1	39	0.0	-61.67	319.76	8.61	-53.06
O=C([O-])C1=CC2=C(NCC34CC(C3)C[N@@H+]4C3CC3)N=CNC2=N1	REAL300013366955	0	42	0.0	-91.97	338.85	9.03	-82.94
O=C([O-])C1=CC2=C(NCC34CC(C3)C[N@H+]4C3CC3)N=CNC2=N1	REAL300013366955	1	42	0.0	-97.05	336.13	9.09	-87.96
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(CC3=CC=CC=C3C2=O)CC1	REAL300013366977	0	42	0.0	-42.08	327.64	10.56	-31.52
CN(CC1=CC(F)=CC(C(F)(F)F)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013367035	0	35	0.0	-52.18	310.97	9.77	-42.41
CCC[NH+](CCC)CCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013367042	0	45	0.0	-102.51	354.59	9.10	-93.41
O=C([O-])C1=CC=C[NH+]=C1N1CCCC1C1=CC(Cl)=CC(Cl)=C1	REAL300013367044	0	36	0.0	-50.18	317.81	11.06	-39.12
CC(C)[N@@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013367049	0	47	0.0	-81.45	364.26	9.47	-71.98
CC(C)[N@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013367049	1	47	0.0	-77.30	374.70	10.33	-66.97
CC(C)[N@@H+]1CC[C@@H](NC2=NC=C(C(=O)[O-])C=C2Cl)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013367050	1	47	0.0	-71.82	381.01	10.52	-61.30
CC(C)[N@H+]1CC[C@@H](NC2=NC=C(C(=O)[O-])C=C2Cl)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013367050	1	47	0.0	-73.13	390.88	11.28	-61.85
CC(C)[N@@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013367051	0	47	0.0	-81.45	364.26	9.47	-71.98
CC(C)[N@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013367051	1	47	0.0	-77.30	374.70	10.33	-66.97
CN(CC1=CC=C(C2=CSC=C2)C=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013367053	0	39	0.0	-52.61	331.38	11.12	-41.49
CC(C)[N@@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013367058	0	47	0.0	-80.23	374.15	9.91	-70.32
CC(C)[N@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013367058	1	47	0.0	-76.25	384.59	10.77	-65.48
CC(C)[N@@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013367059	0	47	0.0	-80.23	374.15	9.91	-70.32
CC(C)[N@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013367059	1	47	0.0	-76.25	384.59	10.77	-65.48
CC(C)(C)[N@@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013367060	0	50	0.0	-84.65	373.68	9.84	-74.81
CC(C)(C)[N@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013367060	1	50	0.0	-79.82	396.45	11.02	-68.80
CC(C)(C)[N@@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013367061	0	50	0.0	-84.65	373.68	9.84	-74.81
CC(C)(C)[N@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300013367061	1	50	0.0	-79.82	396.45	11.02	-68.80
C[N@@H+]1CC[C@@H](NC2=NC=C(C(=O)[O-])C=C2Cl)[C@@H]1C1=CC=CC=C1	REAL300013367062	0	41	0.0	-67.71	336.03	9.36	-58.35
C[N@H+]1CC[C@@H](NC2=NC=C(C(=O)[O-])C=C2Cl)[C@@H]1C1=CC=CC=C1	REAL300013367062	1	41	0.0	-67.78	343.69	10.15	-57.63
C[N@@H+]1CC[C@@H](NC2=C3C=C(C(=O)[O-])N=C3NC=N2)[C@@H]1C1=CC=CC=C1	REAL300013367063	0	44	0.0	-103.06	349.08	9.71	-93.35
C[N@H+]1CC[C@@H](NC2=C3C=C(C(=O)[O-])N=C3NC=N2)[C@@H]1C1=CC=CC=C1	REAL300013367063	1	44	0.0	-100.49	356.86	10.49	-90.00
COC(=O)C1=CC2=C(C=C1F)CCN(C1=[NH+]C=CC=C1C(=O)[O-])C2	REAL300013367067	0	39	0.0	-44.30	315.61	8.85	-35.45
COC1=CC2=NC(N[C@H](C)CC(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013367114	0	40	0.0	-47.15	322.43	6.14	-41.01
C[C@H](CC(=O)[O-])NC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1[N+](=O)[O-]	REAL300013367132	0	50	0.0	-79.65	412.96	5.70	-73.95
C[C@H](CC(=O)[O-])NC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013367143	1	31	0.0	-44.79	274.95	7.20	-37.59
CC1=[NH+]C2=CC=C(Br)C=C2C(N[C@H](C)CC(=O)[O-])=C1C	REAL300013367159	0	37	0.0	-48.29	300.34	7.76	-40.53
CCOC(=O)C1=C(N[C@H](C)CC(=O)[O-])C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013367179	1	43	0.0	-60.51	339.63	6.28	-54.23
CCOC(=O)C1=C(N[C@H](C)CC(=O)[O-])C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013367180	1	46	0.0	-52.07	350.02	9.05	-43.02
C[C@H](CC(=O)[O-])NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013367213	0	42	0.0	-49.47	344.16	9.49	-39.98
C[C@H](CC(=O)[O-])NC1=CC(C2CC2)=[NH+]C2=C(Br)C=CC=C12	REAL300013367218	1	38	0.0	-36.09	321.96	9.54	-26.55
CCOC(=O)C1=C(C)C2=C(N[C@H](C)CC(=O)[O-])N=C(C[NH+](C)C)N=C2S1	REAL300013367281	1	50	0.0	-55.37	408.33	9.95	-45.42
C[C@H](CC(=O)[O-])NC1=CC=C(S(=O)(=O)NCC[NH+](C)C)C=C1[N+](=O)[O-]	REAL300013367286	0	47	0.0	-79.90	391.46	4.92	-74.98
C[C@H](CC(=O)[O-])NC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1	REAL300013367341	1	48	0.0	-53.92	394.73	11.43	-42.49
C[C@H](CC(=O)[O-])NC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013367342	1	31	0.0	-48.14	275.07	7.21	-40.93
C[C@H](CC(=O)[O-])NC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013367346	1	31	0.0	-40.53	272.43	7.29	-33.24
CCOC1=CC2=[NH+]C=CC(N[C@H](C)CC(=O)[O-])=C2C=C1OCC	REAL300013367352	0	45	0.0	-48.21	355.82	7.68	-40.53
COC1=CC2=[NH+]C=CC(N[C@H](C)CC(=O)[O-])=C2C=C1Br	REAL300013367374	0	35	0.0	-48.89	303.44	6.56	-42.33
CC1=CC2=C(N[C@H](C)CC(=O)[O-])C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013367380	0	44	0.0	-43.16	328.84	8.95	-34.21
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@H](C)CC(=O)[O-])=[NH+]1	REAL300013367399	0	42	0.0	-43.56	340.89	10.70	-32.86
CC1=CC(N[C@H](C)CC(=O)[O-])=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013367401	1	42	0.0	-45.87	340.87	11.48	-34.39
C[C@H](CC(=O)[O-])NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013367423	0	35	0.0	-45.91	299.58	6.39	-39.52
CN(CC1=CC=CC(OC(F)F)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013367436	0	36	0.0	-56.27	304.76	8.28	-47.99
CC[N@H+](C)CC1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013367446	0	43	0.0	-67.36	340.69	8.87	-58.49
CC[N@@H+](C)CC1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013367446	1	43	0.0	-67.40	340.78	8.90	-58.50
CC[N@H+](C)CC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013367447	0	46	0.0	-100.08	347.13	10.15	-89.93
CC[N@@H+](C)CC1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013367447	1	46	0.0	-99.92	347.11	10.15	-89.77
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CC(O)CNC1=CC(N2CCC(OCC(=O)[O-])CC2)=[NH+]C=N1	REAL300013367935	1	44	0.0	-64.15	346.72	3.86	-60.29
NC1=[NH+]C(N2CCC(OCC(=O)[O-])CC2)=CC(N2C=CC=N2)=N1	REAL300013367945	0	41	0.0	-63.59	333.85	7.54	-56.05
O=C([O-])COC1CCN(C2=[NH+]C=CC(N3CCOCC3)=N2)CC1	REAL300013367950	0	45	0.0	-66.50	347.32	6.43	-60.07
COC1=CC=CC2=C(N3CCC(OCC(=O)[O-])CC3)C=C(C)[NH+]=C12	REAL300013367955	1	46	0.0	-58.44	354.94	7.28	-51.16
CCOC(=O)C1=C(N2CCC(OCC(=O)[O-])CC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013367956	1	54	0.0	-68.62	412.89	10.89	-57.73
CCC1=[NH+]C2=CC=CC=C2C(N2CCC(OCC(=O)[O-])CC2)=C1	REAL300013367967	0	45	0.0	-60.76	354.82	9.08	-51.68
O=C([O-])COC1CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300013367971	1	36	0.0	-69.05	302.07	7.08	-61.97
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013367981	1	48	0.0	-59.33	372.56	11.37	-47.96
CC(C)C1=NC(N(C)C)=NC(N2CCC(OCC(=O)[O-])CC2)=[NH+]1	REAL300013367981	1	48	0.0	-55.14	372.96	11.39	-43.75
O=C([O-])COC1CCN(C2=CC=[NH+]C(N3CCCCC3)=N2)CC1	REAL300013367987	0	47	0.0	-65.34	356.24	8.89	-56.45
CCC1=C(N2CCC(OCC(=O)[O-])CC2)C2=CC=CC=C2[NH+]=C1C	REAL300013368000	0	48	0.0	-61.16	361.50	9.34	-51.82
CC1=CC2=CC=CC=C2C(N2CCC(OCC(=O)[O-])CC2)=[NH+]1	REAL300013368002	0	42	0.0	-57.47	326.71	8.97	-48.50
O=C([O-])COC1CCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)CC1	REAL300013368008	0	51	0.0	-65.53	384.55	5.43	-60.10
O=C([O-])COC1CCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)CC1	REAL300013368008	1	51	0.0	-66.36	386.71	5.12	-61.24
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCC(OCC(=O)[O-])CC2)=C1	REAL300013368012	0	44	0.0	-75.48	354.64	8.51	-66.97
CC1=[NH+]C2=CC=CC=C2C(N2CCC(OCC(=O)[O-])CC2)=C1C	REAL300013368018	0	45	0.0	-60.92	340.05	8.66	-52.26
CC1=C2[NH+]=CC(C)=C(N3CCC(OCC(=O)[O-])CC3)C2=CC=C1	REAL300013368025	0	45	0.0	-63.39	341.22	8.90	-54.49
O=C([O-])COC1CCN(C2=CC=[NH+]C=C2Br)CC1	REAL300013368027	1	33	0.0	-72.88	287.49	6.18	-66.70
CN1CCN(C2=CC(N3CCC(OCC(=O)[O-])CC3)=[NH+]C=N2)CC1=O	REAL300013368028	0	48	0.0	-69.99	368.21	6.12	-63.87
CN1CCN(C2=CC(N3CCC(OCC(=O)[O-])CC3)=NC=[NH+]2)CC1=O	REAL300013368028	1	48	0.0	-67.54	366.82	5.69	-61.85
CC(C)C1OCCCC1NC1=CC(N2CCC(OCC(=O)[O-])CC2)=NC=[NH+]1	REAL300013368039	0	57	0.0	-65.27	424.63	9.25	-56.02
CC(C)C1OCCCC1NC1=CC(N2CCC(OCC(=O)[O-])CC2)=[NH+]C=N1	REAL300013368039	1	57	0.0	-62.97	422.26	9.10	-53.87
CCOC(=O)C1=C[NH+]=CC=C1N1CCC(OCC(=O)[O-])CC1	REAL300013368041	1	42	0.0	-81.20	341.45	7.84	-73.36
O=C([O-])COC1CCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)CC1	REAL300013368063	0	50	0.0	-72.17	395.73	10.20	-61.97
CCCCNC1=CC(N2CCC(OCC(=O)[O-])CC2)=NC(N)=[NH+]1	REAL300013368078	0	48	0.0	-62.36	374.98	7.46	-54.90
CCCCNC1=CC(N2CCC(OCC(=O)[O-])CC2)=[NH+]C(N)=N1	REAL300013368078	1	48	0.0	-59.00	372.59	7.29	-51.71
O=C([O-])COC1CCN(C2=CC=[NH+]C=C2Br)CC1	REAL300013368086	1	33	0.0	-72.88	287.49	6.18	-66.70
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013368091	0	51	0.0	-60.85	401.38	7.78	-53.07
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013368091	1	51	0.0	-57.11	402.52	7.85	-49.26
CC(C)NC1=NC(NCCO)=NC(N2CCC(OCC(=O)[O-])CC2)=[NH+]1	REAL300013368091	1	51	0.0	-56.13	401.79	7.83	-48.30
O=C([O-])COC1CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300013368101	1	36	0.0	-69.05	302.07	7.08	-61.97
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013368106	0	53	0.0	-57.76	401.08	11.74	-46.02
CCNC1=NC(NC(C)(C)C)=NC(N2CCC(OCC(=O)[O-])CC2)=[NH+]1	REAL300013368106	1	53	0.0	-55.17	403.68	12.09	-43.08
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013368106	1	53	0.0	-52.78	400.54	11.73	-41.05
CC(O)C1CCN(C2=CC(N3CCC(OCC(=O)[O-])CC3)=[NH+]C=N2)C1	REAL300013368154	0	51	0.0	-65.01	387.42	5.59	-59.42
CC(O)C1CCN(C2=CC(N3CCC(OCC(=O)[O-])CC3)=NC=[NH+]2)C1	REAL300013368154	1	51	0.0	-64.38	387.04	5.33	-59.05
O=C([O-])COC1CCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CC1	REAL300013368156	1	42	0.0	-63.89	340.43	8.93	-54.96
CCCC1=CC2=C(N3CCC(OCC(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013368160	0	48	0.0	-65.76	369.64	9.48	-56.28
CCC1=CC2=C(N3CCC(OCC(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013368161	0	45	0.0	-65.60	348.14	8.70	-56.90
CC(C)OC1=CC2=C(N3CCC(OCC(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013368164	0	49	0.0	-69.79	374.96	8.14	-61.65
CC1=[NH+]C2=CC=CC=C2C(N2CCC(OCC(=O)[O-])CC2)=C1	REAL300013368225	0	42	0.0	-62.04	333.40	8.34	-53.70
O=C([O-])COC1CCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)CC1	REAL300013368293	1	39	0.0	-70.01	326.56	7.89	-62.12
CCOC1=CC2=[NH+]C=CC(N3CCC(OCC(=O)[O-])CC3)=C2C=C1OCC	REAL300013368313	0	53	0.0	-68.75	407.39	8.36	-60.39
CCC1=CC(N2CCC(OCC(=O)[O-])CC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013368315	1	47	0.0	-64.95	375.51	8.71	-56.24
O=C([O-])COC1CCN(C2=[NH+]C=CC(N3CCCC3)=N2)CC1	REAL300013368327	0	44	0.0	-63.87	339.37	8.13	-55.74
O=C([O-])COC1CCN(C2=CC=[NH+]C3=CC(F)=CC=C32)CC1	REAL300013368348	0	39	0.0	-67.19	311.69	7.35	-59.84
COC1=CC2=[NH+]C=CC(N3CCC(OCC(=O)[O-])CC3)=C2C=C1Br	REAL300013368362	0	43	0.0	-71.14	355.04	7.25	-63.89
CC1=CC2=C(N3CCC(OCC(=O)[O-])CC3)[NH+]=CC=C2C=C1	REAL300013368366	1	42	0.0	-61.87	333.40	9.27	-52.60
CC1=CC=CC2=C(N3CCC(OCC(=O)[O-])CC3)[NH+]=CC=C12	REAL300013368367	1	42	0.0	-60.33	323.35	8.92	-51.41
CC1(C)CCCN(C2=CC=[NH+]C(N3CCC(OCC(=O)[O-])CC3)=N2)C1	REAL300013368375	0	53	0.0	-64.10	392.73	10.25	-53.85
CC1=CC2=C(N3CCC(OCC(=O)[O-])CC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013368380	0	52	0.0	-60.47	390.98	10.62	-49.85
CC1=CC(C(F)(F)F)=CC(N2CCC(OCC(=O)[O-])CC2)=[NH+]1	REAL300013368383	0	39	0.0	-63.18	323.21	7.48	-55.70
O=C([O-])COC1CCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CC1	REAL300013368385	1	44	0.0	-66.70	350.45	9.19	-57.51
COC1=CC2=[NH+]C=CC(N3CCC(OCC(=O)[O-])CC3)=C2C=C1OC	REAL300013368389	0	47	0.0	-68.90	363.68	6.52	-62.38
O=C([O-])COC1CCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CC1	REAL300013368427	0	48	0.0	-65.57	376.53	9.90	-55.67
CC1=CC=C2C(N3CCC(OCC(=O)[O-])CC3)=CC(C)=[NH+]C2=C1Cl	REAL300013368457	0	45	0.0	-57.98	359.61	9.01	-48.97
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013368459	0	47	0.0	-60.55	372.43	9.56	-50.99
CC1=NC(NC2=CC=CC=C2)=CC(N2CCC(OCC(=O)[O-])CC2)=[NH+]1	REAL300013368459	1	47	0.0	-59.20	369.62	8.98	-50.22
CC1=[NH+]C=CC(N2CCC(OCC(=O)[O-])CC2)=C1Br	REAL300013368462	0	36	0.0	-70.19	305.67	6.66	-63.53
CN(C1=CC=[NH+]C(N2CCC(OCC(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013368464	0	53	0.0	-61.98	394.48	11.33	-50.65
CC1=CC(N(C)C(C)C)=NC(N2CCC(OCC(=O)[O-])CC2)=[NH+]1	REAL300013368465	0	49	0.0	-58.04	373.81	10.03	-48.01
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC(OCC(=O)[O-])CC2)=[NH+]1	REAL300013368469	0	50	0.0	-62.80	395.24	11.23	-51.57
CC1=CC(N2C=CC=N2)=NC(N2CCC(OCC(=O)[O-])CC2)=[NH+]1	REAL300013368470	1	42	0.0	-61.20	342.66	9.26	-51.94
CC1=CC(N2CCC(OCC(=O)[O-])CC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013368473	0	49	0.0	-60.45	373.92	10.50	-49.95
CN(C1=[NH+]C=CC(N2CCC(OCC(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013368476	0	53	0.0	-65.01	394.00	11.80	-53.21
CC1=CC(N2CCC(OCC(=O)[O-])CC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013368478	1	50	0.0	-62.52	395.78	12.45	-50.07
CC1=CC=CC2=CC=[NH+]C(N3CCC(OCC(=O)[O-])CC3)=C12	REAL300013368501	1	42	0.0	-61.50	326.08	10.67	-50.83
O=C([O-])COC1CCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)CC1	REAL300013368526	0	43	0.0	-57.07	333.76	8.02	-49.05
O=C([O-])COC1CCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)CC1	REAL300013368527	0	43	0.0	-68.62	351.18	7.07	-61.55
CN(C)C1=CC(N2CCC(OCC(=O)[O-])CC2)=NC(N(C)C)=[NH+]1	REAL300013368532	1	48	0.0	-59.15	367.94	9.85	-49.30
CN(C)C1=CC(N2CCC(OCC(=O)[O-])CC2)=[NH+]C(N(C)C)=N1	REAL300013368532	1	48	0.0	-56.11	364.93	9.91	-46.20
CC1=C(Cl)C2=[NH+]C=CC(N3CCC(OCC(=O)[O-])CC3)=C2C=C1	REAL300013368540	1	42	0.0	-61.93	338.45	8.44	-53.49
COC(=O)C1(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)CC(F)(F)C1	REAL300013368558	0	45	0.0	-44.54	351.92	10.08	-34.46
CN1N=CC=C1[C@H]1[C@H](CNC2=CC=CC(C(=O)[O-])=N2)CCC[N@@H+]1C	REAL300013368565	0	47	0.0	-83.40	358.28	7.67	-75.73
CN1N=CC=C1[C@H]1[C@H](CNC2=CC=CC(C(=O)[O-])=N2)CCC[N@H+]1C	REAL300013368565	1	47	0.0	-82.84	353.64	7.14	-75.70
CN1N=CC=C1[C@H]1[C@H](CNC2=NC=CC=C2C(=O)[O-])CCC[N@@H+]1C	REAL300013368566	0	47	0.0	-66.14	354.25	8.18	-57.96
CN1N=CC=C1[C@H]1[C@H](CNC2=NC=CC=C2C(=O)[O-])CCC[N@H+]1C	REAL300013368566	1	47	0.0	-65.93	349.21	7.66	-58.27
CN1N=CC=C1[C@H]1[C@H](CNC2=NC=C(C(=O)[O-])C=C2Cl)CCC[N@@H+]1C	REAL300013368567	0	47	0.0	-75.45	373.54	8.50	-66.95
CN1N=CC=C1[C@H]1[C@H](CNC2=NC=C(C(=O)[O-])C=C2Cl)CCC[N@H+]1C	REAL300013368567	1	47	0.0	-76.01	368.68	7.98	-68.03
CN1N=CC=C1[C@H]1[C@H](CNC2=CC=CC(C(=O)[O-])=N2)CCC[N@@H+]1C	REAL300013368568	0	47	0.0	-83.40	358.28	7.67	-75.73
CN1N=CC=C1[C@H]1[C@H](CNC2=CC=CC(C(=O)[O-])=N2)CCC[N@H+]1C	REAL300013368568	1	47	0.0	-82.84	353.64	7.14	-75.70
CN1N=CC=C1[C@H]1[C@H](CNC2=CC=CC(C(=O)[O-])=N2)CCC[N@@H+]1C	REAL300013368569	0	47	0.0	-83.40	358.28	7.67	-75.73
CN1N=CC=C1[C@H]1[C@H](CNC2=CC=CC(C(=O)[O-])=N2)CCC[N@H+]1C	REAL300013368569	1	47	0.0	-82.84	353.64	7.14	-75.70
CN1N=CC=C1[C@H]1[C@H](CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCC[N@@H+]1C	REAL300013368570	0	50	0.0	-106.53	386.73	8.85	-97.68
CN1N=CC=C1[C@H]1[C@H](CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CCC[N@H+]1C	REAL300013368570	1	50	0.0	-106.23	382.33	8.32	-97.91
CN(CCC(=O)OCC1=CC=CC=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013368572	0	41	0.0	-49.05	343.67	10.49	-38.56
COC(=O)C1=CN(CC2CN(C3=[NH+]C=CC=C3C(=O)[O-])CCO2)N=N1	REAL300013368584	0	42	0.0	-63.74	356.25	5.55	-58.19
COC(=O)C1=NN(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)C=C1	REAL300013368590	0	42	0.0	-60.53	345.94	8.36	-52.17
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C1=CC=CC(C(=O)[O-])=N1	REAL300013368595	0	50	0.0	-65.99	372.98	9.50	-56.49
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C1=CC=CC(C(=O)[O-])=N1	REAL300013368595	1	50	0.0	-85.09	365.51	8.87	-76.22
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013368597	0	50	0.0	-71.01	393.78	9.00	-62.01
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013368597	1	50	0.0	-65.56	383.65	8.86	-56.70
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C1=CC=CC(C(=O)[O-])=N1	REAL300013368598	0	50	0.0	-65.99	372.98	9.50	-56.49
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C1=CC=CC(C(=O)[O-])=N1	REAL300013368598	1	50	0.0	-85.09	365.51	8.87	-76.22
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C1=CC=CC(C(=O)[O-])=N1	REAL300013368599	0	50	0.0	-65.99	372.98	9.50	-56.49
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C1=CC=CC(C(=O)[O-])=N1	REAL300013368599	1	50	0.0	-85.09	365.51	8.87	-76.22
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013368600	0	53	0.0	-101.19	398.97	10.23	-90.96
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013368600	1	53	0.0	-112.60	390.35	10.27	-102.33
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=CC=CC=C2C(F)(F)F)C1	REAL300013368603	0	39	0.0	-46.79	321.42	10.44	-36.35
CCOC1=CC=CC=C1OC1CCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013368609	0	44	0.0	-61.33	350.54	9.49	-51.84
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC1=CC=CC(C(=O)[O-])=N1	REAL300013368622	0	56	0.0	-84.99	419.81	11.90	-73.09
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC1=CC=CC(C(=O)[O-])=N1	REAL300013368622	1	56	0.0	-83.18	420.61	11.91	-71.27
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC1=CC=CC(C(=O)[O-])=N1	REAL300013368623	0	56	0.0	-84.99	419.81	11.90	-73.09
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC1=CC=CC(C(=O)[O-])=N1	REAL300013368623	1	56	0.0	-83.18	420.61	11.91	-71.27
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC1=CC=CC(C(=O)[O-])=N1	REAL300013368624	0	56	0.0	-84.99	419.81	11.90	-73.09
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC1=CC=CC(C(=O)[O-])=N1	REAL300013368624	1	56	0.0	-83.18	420.61	11.91	-71.27
O=C([O-])C1=CC=C[NH+]=C1N1C[C@H]2CCS(=O)(=O)[C@@]2(C(F)(F)F)C1	REAL300013368626	1	36	0.0	-56.24	303.97	4.94	-51.30
CC1=[NH+]C2=C(CC[C@H]3[C@@H]2CCCN3C2=CC=CC(C(=O)[O-])=N2)N1	REAL300013368646	0	43	0.0	-60.69	322.84	7.98	-52.71
CC1=[NH+]C2=C(N1)[C@H]1CCCN(C3=CC=CC(C(=O)[O-])=N3)[C@H]1CC2	REAL300013368646	1	43	0.0	-60.20	322.91	7.99	-52.21
CC1=[NH+]C2=C(CC[C@H]3[C@@H]2CCCN3C2=NC=C(C(=O)[O-])C=C2Cl)N1	REAL300013368647	0	43	0.0	-59.91	341.76	8.43	-51.48
CC1=[NH+]C2=C(N1)[C@H]1CCCN(C3=NC=C(C(=O)[O-])C=C3Cl)[C@H]1CC2	REAL300013368647	1	43	0.0	-59.72	341.75	8.43	-51.29
CC1=[NH+]C2=C(CC[C@H]3[C@@H]2CCCN3C2=CC=CC(C(=O)[O-])=N2)N1	REAL300013368648	0	43	0.0	-60.69	322.84	7.98	-52.71
CC1=[NH+]C2=C(N1)[C@H]1CCCN(C3=CC=CC(C(=O)[O-])=N3)[C@H]1CC2	REAL300013368648	1	43	0.0	-60.20	322.91	7.99	-52.21
CC1=[NH+]C2=C(CC[C@H]3[C@@H]2CCCN3C2=CC=CC(C(=O)[O-])=N2)N1	REAL300013368649	0	43	0.0	-60.69	322.84	7.98	-52.71
CC1=[NH+]C2=C(N1)[C@H]1CCCN(C3=CC=CC(C(=O)[O-])=N3)[C@H]1CC2	REAL300013368649	1	43	0.0	-60.20	322.91	7.99	-52.21
CC1=[NH+]C2=C(CC[C@H]3[C@@H]2CCCN3C2=C3C=C(C(=O)[O-])N=C3NC=N2)N1	REAL300013368650	0	46	0.0	-98.01	355.28	9.69	-88.32
CC1=[NH+]C2=C(N1)[C@H]1CCCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)[C@H]1CC2	REAL300013368650	1	46	0.0	-97.86	355.33	9.69	-88.17
CC1=[NH+]C2=CC=C(F)C=C2C(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013368686	0	41	0.0	-59.70	323.99	8.80	-50.90
O=C([O-])[C@@H]1CCC[C@H](NC2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013368692	0	44	0.0	-61.13	342.76	8.94	-52.19
O=C([O-])[C@@H]1CCC[C@H](NC2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013368692	1	44	0.0	-62.90	341.75	8.52	-54.38
O=C([O-])[C@@H]1CCC[C@H](NC2=CC(N3CCCCC3)=NC=[NH+]2)C1	REAL300013368704	0	46	0.0	-57.91	343.27	9.06	-48.85
O=C([O-])[C@@H]1CCC[C@H](NC2=CC(N3CCCCC3)=[NH+]C=N2)C1	REAL300013368704	1	46	0.0	-60.35	341.51	8.91	-51.44
O=C([O-])[C@@H]1CCC[C@H](NC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013368705	0	50	0.0	-61.53	376.51	5.86	-55.67
O=C([O-])[C@@H]1CCC[C@H](NC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013368705	1	50	0.0	-62.73	372.63	6.18	-56.55
CCCC1=[NH+]C2=CC=CC=C2C(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013368706	0	47	0.0	-54.45	360.48	10.25	-44.20
COC1=CC=C(NC2=CC(N[C@H]3CCC[C@@H](C(=O)[O-])C3)=[NH+]C=N2)C(OC)=C1	REAL300013368708	1	51	0.0	-58.32	399.45	8.52	-49.80
COC1=CC2=NC(N[C@H]3CCC[C@@H](C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013368730	0	47	0.0	-62.56	364.98	7.69	-54.87
O=C([O-])[C@@H]1CCC[C@H](NC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)C1	REAL300013368737	0	41	0.0	-62.95	334.70	9.16	-53.79
O=C([O-])[C@@H]1CCC[C@H](NC2=CC=[NH+]C3=CC=C(Cl)C=C23)C1	REAL300013368744	1	38	0.0	-63.21	312.87	8.67	-54.54
CC(C)(C)C1=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=NC(C(C)(C)C)=[NH+]1	REAL300013368746	1	55	0.0	-53.04	404.16	10.88	-42.16
O=C([O-])[C@@H]1CCC[C@H](NC2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013368753	0	44	0.0	-60.05	334.48	6.60	-53.45
O=C([O-])[C@@H]1CCC[C@H](NC2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013368753	1	44	0.0	-62.05	332.08	6.45	-55.60
CC1=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013368758	1	46	0.0	-67.92	374.62	11.03	-56.89
O=C([O-])[C@@H]1CCC[C@H](NC2=CC=[NH+]C3=CC(Cl)=CC=C23)C1	REAL300013368782	1	38	0.0	-60.59	312.86	8.66	-51.93
O=C([O-])[C@@H]1CCC[C@H](NC2=CC=[NH+]C3=CC(Br)=CC=C23)C1	REAL300013368791	1	38	0.0	-60.77	317.42	8.76	-52.01
CC1=[NH+]C2=CC=C(Br)C=C2C(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1C	REAL300013368817	0	44	0.0	-63.98	351.18	9.43	-54.55
NC1=[NH+]C(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=CC(N2C=CC=N2)=N1	REAL300013368843	0	40	0.0	-57.56	323.91	8.28	-49.28
O=C([O-])[C@@H]1CCC[C@H](NC2=[NH+]C=CC(N3CCOCC3)=N2)C1	REAL300013368846	0	44	0.0	-61.75	335.02	7.44	-54.31
COC1=CC=CC2=C(N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013368851	1	45	0.0	-53.22	345.91	8.15	-45.07
CCOC(=O)C1=C(N[C@H]2CCC[C@@H](C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013368852	1	50	0.0	-71.95	388.55	8.08	-63.87
CCOC(=O)C1=C(N[C@H]2CCC[C@@H](C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013368853	1	53	0.0	-66.91	398.02	10.74	-56.17
CC(C)C1=[NH+]C(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=NC(N(C)C)=N1	REAL300013368865	1	47	0.0	-50.93	360.73	12.57	-38.36
CC(C)C1=NC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=NC(N(C)C)=[NH+]1	REAL300013368865	1	47	0.0	-54.46	360.99	12.58	-41.88
O=C([O-])[C@@H]1CCC[C@H](NC2=CC=[NH+]C(N3CCCCC3)=N2)C1	REAL300013368871	0	46	0.0	-60.22	343.29	9.46	-50.76
CCC1=C(N[C@H]2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013368881	0	47	0.0	-56.24	347.13	9.53	-46.71
O=C([O-])[C@@H]1CCC[C@H](NC2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013368887	0	50	0.0	-59.35	374.57	6.16	-53.19
O=C([O-])[C@@H]1CCC[C@H](NC2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013368887	1	50	0.0	-61.07	374.58	5.73	-55.34
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013368892	0	43	0.0	-68.25	345.62	9.40	-58.85
CN1CCN(C2=CC(N[C@H]3CCC[C@@H](C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013368902	0	47	0.0	-66.99	361.07	6.54	-60.45
CN1CCN(C2=CC(N[C@H]3CCC[C@@H](C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013368902	1	47	0.0	-60.67	354.13	6.24	-54.43
CC(C)C1OCCCC1NC1=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=[NH+]C=N1	REAL300013368912	0	56	0.0	-57.18	411.07	9.84	-47.34
CC(C)C1OCCCC1NC1=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=NC=[NH+]1	REAL300013368912	1	56	0.0	-60.21	411.72	9.83	-50.38
COC1=CC=CC2=C(N[C@H]3CCC[C@@H](C(=O)[O-])C3)C(C)=C[NH+]=C12	REAL300013368922	1	45	0.0	-57.19	342.75	7.94	-49.25
O=C([O-])[C@@H]1CCC[C@H](NC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)C1	REAL300013368932	0	49	0.0	-65.43	384.92	11.00	-54.43
O=C([O-])[C@@H]1CCC[C@H](NC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013368937	1	45	0.0	-50.97	364.41	11.10	-39.87
CCCCNC1=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013368944	0	47	0.0	-58.15	362.67	8.05	-50.10
CCCCNC1=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013368944	1	47	0.0	-53.77	362.58	8.05	-45.72
CC(C)NC1=[NH+]C(NCCO)=NC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013368955	0	50	0.0	-56.23	390.24	8.90	-47.33
CC(C)NC1=NC(NCCO)=[NH+]C(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013368955	1	50	0.0	-52.13	390.27	8.90	-43.23
CC(C)NC1=NC(NCCO)=NC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013368955	1	50	0.0	-51.83	390.05	8.90	-42.93
CCNC1=[NH+]C(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=NC(NC(C)(C)C)=N1	REAL300013368968	0	52	0.0	-51.14	391.98	13.14	-38.00
CCNC1=NC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=NC(NC(C)(C)C)=[NH+]1	REAL300013368968	1	52	0.0	-53.07	390.47	12.86	-40.21
CCNC1=NC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=[NH+]C(NC(C)(C)C)=N1	REAL300013368968	1	52	0.0	-48.04	386.06	12.71	-35.33
CN(C1=CC=CC=C1)C1=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=[NH+]C=N1	REAL300013368983	1	46	0.0	-57.93	363.29	11.65	-46.28
O=C([O-])[C@@H]1CCC[C@H](NC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)C1	REAL300013369006	1	38	0.0	-64.88	318.22	8.71	-56.17
CC(O)C1CCN(C2=CC(N[C@H]3CCC[C@@H](C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013369007	0	50	0.0	-60.12	372.41	6.68	-53.44
CC(O)C1CCN(C2=CC(N[C@H]3CCC[C@@H](C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013369007	1	50	0.0	-59.84	376.29	5.96	-53.88
O=C([O-])[C@@H]1CCC[C@H](NC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C1	REAL300013369009	1	41	0.0	-58.57	322.58	10.14	-48.43
CCCC1=CC2=C(N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013369012	0	47	0.0	-59.58	360.61	10.36	-49.22
CC(C)OC1=CC2=C(N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013369014	0	48	0.0	-63.26	365.36	9.01	-54.25
CC1=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013369108	1	43	0.0	-59.04	340.99	8.55	-50.49
CCC1=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013369109	1	49	0.0	-66.24	396.23	11.77	-54.47
O=C([O-])[C@@H]1CCC[C@H](NC2=CC=[NH+]C3=CC=C(Br)C=C23)C1	REAL300013369130	1	38	0.0	-63.34	317.44	8.77	-54.57
O=C([O-])[C@@H]1CCC[C@H](NC2=CC=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013369137	1	38	0.0	-56.33	314.78	8.85	-47.48
CCOC1=CC2=[NH+]C=CC(N[C@H]3CCC[C@@H](C(=O)[O-])C3)=C2C=C1OCC	REAL300013369147	0	52	0.0	-62.76	397.84	9.23	-53.53
CCC1=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013369149	1	46	0.0	-60.13	363.24	9.32	-50.81
COC1=CC2=[NH+]C=CC(N[C@H]3CCC[C@@H](C(=O)[O-])C3)=C2C=C1Br	REAL300013369186	0	42	0.0	-64.27	345.47	8.12	-56.15
CC1(C)CCCN(C2=CC=[NH+]C(N[C@H]3CCC[C@@H](C(=O)[O-])C3)=N2)C1	REAL300013369194	0	52	0.0	-59.22	380.42	11.26	-47.96
CC1=CC2=C(N[C@H]3CCC[C@@H](C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013369199	0	51	0.0	-57.60	380.18	10.79	-46.81
CC1=CC(C(F)(F)F)=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013369202	0	38	0.0	-57.86	313.03	8.36	-49.50
O=C([O-])[C@@H]1CCC[C@H](NC2=CC(NC3=CC=CC=C3)=NC=[NH+]2)C1	REAL300013369204	1	43	0.0	-59.67	340.21	10.63	-49.04
O=C([O-])[C@@H]1CCC[C@H](NC2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C1	REAL300013369204	1	43	0.0	-61.89	337.36	9.76	-52.13
COC1=CC2=[NH+]C=CC(N[C@H]3CCC[C@@H](C(=O)[O-])C3)=C2C=C1OC	REAL300013369207	0	46	0.0	-62.98	354.14	7.39	-55.59
O=C([O-])[C@@H]1CCC[C@H](NC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013369235	0	47	0.0	-62.42	366.04	11.04	-51.38
CC1=CC=C2C(N[C@H]3CCC[C@@H](C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013369261	0	44	0.0	-52.53	349.94	9.87	-42.66
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013369263	0	46	0.0	-58.25	359.50	9.70	-48.55
CC1=NC(NC2=CC=CC=C2)=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013369263	1	46	0.0	-55.87	361.71	10.53	-45.34
CC1=[NH+]C=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1Br	REAL300013369266	0	35	0.0	-62.81	289.62	7.12	-55.69
CN(C1=CC=[NH+]C(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013369268	0	52	0.0	-57.59	381.52	12.37	-45.22
CC1=CC(N(C)C(C)C)=NC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013369269	0	48	0.0	-54.40	361.97	11.14	-43.26
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013369272	0	49	0.0	-57.69	383.45	12.25	-45.44
CC1=CC(N2C=CC=N2)=NC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013369273	1	41	0.0	-56.96	330.87	10.30	-46.66
CC1=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013369276	0	48	0.0	-56.55	361.64	11.08	-45.47
CN(C1=[NH+]C=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013369279	0	52	0.0	-60.49	381.10	12.37	-48.12
CC1=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013369281	1	49	0.0	-58.69	383.43	13.04	-45.65
O=C([O-])[C@@H]1CCC[C@H](NC2=C3C=CNC3=NC(C3CC3)=[NH+]2)C1	REAL300013369323	0	42	0.0	-51.89	329.51	9.50	-42.39
O=C([O-])[C@@H]1CCC[C@H](NC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)C1	REAL300013369324	0	42	0.0	-62.14	342.05	7.95	-54.19
CN(C)C1=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=[NH+]C(N(C)C)=N1	REAL300013369328	0	47	0.0	-51.20	356.91	10.71	-40.49
CN(C)C1=CC(N[C@H]2CCC[C@@H](C(=O)[O-])C2)=NC(N(C)C)=[NH+]1	REAL300013369328	1	47	0.0	-55.22	354.93	10.52	-44.70
CC1=C(Cl)C2=[NH+]C=CC(N[C@H]3CCC[C@@H](C(=O)[O-])C3)=C2C=C1	REAL300013369335	1	41	0.0	-55.98	328.75	9.30	-46.68
C[N@@H+]1CCC2=C(C=C(CNC3=CC=CC(C(=O)[O-])=N3)C(=O)N2)C1	REAL300013369338	0	41	0.0	-98.36	334.34	5.89	-92.47
C[N@H+]1CCC2=C(C=C(CNC3=CC=CC(C(=O)[O-])=N3)C(=O)N2)C1	REAL300013369338	1	41	0.0	-97.68	334.31	5.89	-91.79
C[N@@H+]1CCC2=C(C=C(CNC3=NC=CC=C3C(=O)[O-])C(=O)N2)C1	REAL300013369339	0	41	0.0	-87.56	330.33	6.44	-81.12
C[N@H+]1CCC2=C(C=C(CNC3=NC=CC=C3C(=O)[O-])C(=O)N2)C1	REAL300013369339	1	41	0.0	-86.47	330.35	6.43	-80.04
C[N@@H+]1CCC2=C(C=C(CNC3=NC=C(C(=O)[O-])C=C3Cl)C(=O)N2)C1	REAL300013369340	0	41	0.0	-90.96	349.80	6.75	-84.21
C[N@H+]1CCC2=C(C=C(CNC3=NC=C(C(=O)[O-])C=C3Cl)C(=O)N2)C1	REAL300013369340	1	41	0.0	-90.92	349.81	6.76	-84.16
C[N@@H+]1CCC2=C(C=C(CNC3=CC=CC(C(=O)[O-])=N3)C(=O)N2)C1	REAL300013369341	0	41	0.0	-98.36	334.34	5.89	-92.47
C[N@H+]1CCC2=C(C=C(CNC3=CC=CC(C(=O)[O-])=N3)C(=O)N2)C1	REAL300013369341	1	41	0.0	-97.68	334.31	5.89	-91.79
C[N@@H+]1CCC2=C(C=C(CNC3=CC=CC(C(=O)[O-])=N3)C(=O)N2)C1	REAL300013369342	0	41	0.0	-98.36	334.34	5.89	-92.47
C[N@H+]1CCC2=C(C=C(CNC3=CC=CC(C(=O)[O-])=N3)C(=O)N2)C1	REAL300013369342	1	41	0.0	-97.68	334.31	5.89	-91.79
C[N@@H+]1CCC2=C(C=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C(=O)N2)C1	REAL300013369343	0	44	0.0	-119.04	362.97	7.09	-111.95
C[N@H+]1CCC2=C(C=C(CNC3=C4C=C(C(=O)[O-])N=C4NC=N3)C(=O)N2)C1	REAL300013369343	1	44	0.0	-118.11	362.99	7.09	-111.02
CC1=[NH+]C2=CC=C(F)C=C2C(NC2CCCC(C(=O)[O-])C2)=C1	REAL300013369361	0	41	0.0	-60.21	318.99	9.09	-51.12
O=C([O-])C1CCCC(NC2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013369367	0	44	0.0	-58.88	338.83	9.26	-49.62
O=C([O-])C1CCCC(NC2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013369367	1	44	0.0	-61.62	340.31	8.65	-52.97
O=C([O-])C1CCCC(NC2=CC(N3CCCCC3)=NC=[NH+]2)C1	REAL300013369379	0	46	0.0	-55.57	339.55	9.38	-46.19
O=C([O-])C1CCCC(NC2=CC(N3CCCCC3)=[NH+]C=N2)C1	REAL300013369379	1	46	0.0	-60.31	341.51	8.91	-51.40
O=C([O-])C1CCCC(NC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013369380	0	50	0.0	-58.45	371.15	6.66	-51.79
O=C([O-])C1CCCC(NC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013369380	1	50	0.0	-63.61	368.62	6.50	-57.11
CCCC1=[NH+]C2=CC=CC=C2C(NC2CCCC(C(=O)[O-])C2)=C1	REAL300013369381	0	47	0.0	-54.33	356.14	10.55	-43.78
COC1=CC=C(NC2=CC(NC3CCCC(C(=O)[O-])C3)=[NH+]C=N2)C(OC)=C1	REAL300013369383	1	51	0.0	-56.00	395.52	8.85	-47.15
COC1=CC2=NC(NC3CCCC(C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013369405	0	47	0.0	-63.52	360.03	7.98	-55.54
O=C([O-])C1CCCC(NC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)C1	REAL300013369412	0	41	0.0	-63.23	330.45	9.46	-53.77
O=C([O-])C1CCCC(NC2=CC=[NH+]C3=CC=C(Cl)C=C23)C1	REAL300013369419	1	38	0.0	-64.38	308.62	8.97	-55.41
CC(C)(C)C1=CC(NC2CCCC(C(=O)[O-])C2)=NC(C(C)(C)C)=[NH+]1	REAL300013369421	1	55	0.0	-53.34	404.79	10.89	-42.45
O=C([O-])C1CCCC(NC2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013369428	0	44	0.0	-57.63	330.05	6.91	-50.72
O=C([O-])C1CCCC(NC2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013369428	1	44	0.0	-62.32	332.60	6.46	-55.86
CC1=CC(NC2CCCC(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013369433	1	46	0.0	-68.56	370.28	11.33	-57.23
O=C([O-])C1CCCC(NC2=CC=[NH+]C3=CC(Cl)=CC=C23)C1	REAL300013369457	1	38	0.0	-60.89	308.61	8.96	-51.93
O=C([O-])C1CCCC(NC2=CC=[NH+]C3=CC(Br)=CC=C23)C1	REAL300013369466	1	38	0.0	-61.08	313.18	9.07	-52.01
CC1=[NH+]C2=CC=C(Br)C=C2C(NC2CCCC(C(=O)[O-])C2)=C1C	REAL300013369492	0	44	0.0	-63.98	351.19	9.43	-54.55
NC1=[NH+]C(NC2CCCC(C(=O)[O-])C2)=CC(N2C=CC=N2)=N1	REAL300013369518	0	40	0.0	-55.28	319.39	8.59	-46.69
O=C([O-])C1CCCC(NC2=[NH+]C=CC(N3CCOCC3)=N2)C1	REAL300013369521	0	44	0.0	-62.72	330.59	7.75	-54.97
COC1=CC=CC2=C(NC3CCCC(C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013369526	1	45	0.0	-52.58	340.94	8.44	-44.14
CCOC(=O)C1=C(NC2CCCC(C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013369527	1	50	0.0	-72.77	380.28	8.30	-64.47
CCOC(=O)C1=C(NC2CCCC(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013369528	1	53	0.0	-68.94	389.90	11.03	-57.91
CC(C)C1=[NH+]C(NC2CCCC(C(=O)[O-])C2)=NC(N(C)C)=N1	REAL300013369540	1	47	0.0	-50.97	361.25	12.47	-38.50
CC(C)C1=NC(NC2CCCC(C(=O)[O-])C2)=NC(N(C)C)=[NH+]1	REAL300013369540	1	47	0.0	-53.89	356.57	12.89	-41.00
O=C([O-])C1CCCC(NC2=CC=[NH+]C(N3CCCCC3)=N2)C1	REAL300013369546	0	46	0.0	-61.19	339.51	9.77	-51.42
CCC1=C(NC2CCCC(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013369556	0	47	0.0	-56.76	347.65	9.55	-47.21
O=C([O-])C1CCCC(NC2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013369562	0	50	0.0	-58.81	368.84	5.82	-52.99
O=C([O-])C1CCCC(NC2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013369562	1	50	0.0	-61.09	374.58	5.73	-55.36
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NC2CCCC(C(=O)[O-])C2)=C1	REAL300013369567	0	43	0.0	-70.11	340.64	9.68	-60.43
CN1CCN(C2=CC(NC3CCCC(C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013369577	0	47	0.0	-64.85	356.33	7.35	-57.50
CN1CCN(C2=CC(NC3CCCC(C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013369577	1	47	0.0	-63.76	349.24	6.57	-57.19
CC(C)C1OCCCC1NC1=CC(NC2CCCC(C(=O)[O-])C2)=[NH+]C=N1	REAL300013369587	0	56	0.0	-55.67	407.14	10.12	-45.55
CC(C)C1OCCCC1NC1=CC(NC2CCCC(C(=O)[O-])C2)=NC=[NH+]1	REAL300013369587	1	56	0.0	-60.52	412.13	9.83	-50.69
COC1=CC=CC2=C(NC3CCCC(C(=O)[O-])C3)C(C)=C[NH+]=C12	REAL300013369597	1	45	0.0	-56.83	340.66	7.84	-48.99
O=C([O-])C1CCCC(NC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)C1	REAL300013369607	0	49	0.0	-65.11	382.20	11.36	-53.75
O=C([O-])C1CCCC(NC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013369612	1	45	0.0	-50.97	364.30	11.10	-39.87
CCCCNC1=CC(NC2CCCC(C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013369619	0	47	0.0	-58.17	362.50	8.04	-50.13
CCCCNC1=CC(NC2CCCC(C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013369619	1	47	0.0	-53.81	362.51	8.04	-45.77
CC(C)NC1=[NH+]C(NCCO)=NC(NC2CCCC(C(=O)[O-])C2)=N1	REAL300013369630	0	50	0.0	-55.42	386.42	9.24	-46.18
CC(C)NC1=NC(NCCO)=[NH+]C(NC2CCCC(C(=O)[O-])C2)=N1	REAL300013369630	1	50	0.0	-53.66	386.37	9.22	-44.44
CC(C)NC1=NC(NCCO)=NC(NC2CCCC(C(=O)[O-])C2)=[NH+]1	REAL300013369630	1	50	0.0	-52.58	385.71	9.20	-43.38
CCNC1=[NH+]C(NC2CCCC(C(=O)[O-])C2)=NC(NC(C)(C)C)=N1	REAL300013369643	0	52	0.0	-51.76	387.56	13.44	-38.32
CCNC1=NC(NC2CCCC(C(=O)[O-])C2)=NC(NC(C)(C)C)=[NH+]1	REAL300013369643	1	52	0.0	-52.47	386.03	13.18	-39.29
CCNC1=NC(NC2CCCC(C(=O)[O-])C2)=[NH+]C(NC(C)(C)C)=N1	REAL300013369643	1	52	0.0	-51.30	389.56	13.53	-37.77
CN(C1=CC=CC=C1)C1=CC(NC2CCCC(C(=O)[O-])C2)=[NH+]C=N1	REAL300013369658	1	46	0.0	-58.09	356.95	11.16	-46.93
O=C([O-])C1CCCC(NC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)C1	REAL300013369681	1	38	0.0	-66.15	314.31	9.02	-57.13
CC(O)C1CCN(C2=CC(NC3CCCC(C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013369682	0	50	0.0	-57.02	370.97	6.88	-50.14
CC(O)C1CCN(C2=CC(NC3CCCC(C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013369682	1	50	0.0	-61.14	369.52	6.32	-54.82
O=C([O-])C1CCCC(NC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C1	REAL300013369684	1	41	0.0	-58.94	318.15	10.45	-48.49
CCCC1=CC2=C(NC3CCCC(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013369687	0	47	0.0	-60.23	356.18	10.66	-49.57
CC(C)OC1=CC2=C(NC3CCCC(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013369689	0	48	0.0	-64.80	361.07	9.32	-55.48
CC1=CC(NC2CCCC(C(=O)[O-])C2)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013369783	1	43	0.0	-59.30	336.47	8.84	-50.46
CCC1=CC(NC2CCCC(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013369784	1	49	0.0	-66.54	396.14	11.76	-54.78
O=C([O-])C1CCCC(NC2=CC=[NH+]C3=CC=C(Br)C=C23)C1	REAL300013369805	1	38	0.0	-64.37	313.18	9.08	-55.29
O=C([O-])C1CCCC(NC2=CC=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013369812	1	38	0.0	-55.94	310.43	9.16	-46.78
CCOC1=CC2=[NH+]C=CC(NC3CCCC(C(=O)[O-])C3)=C2C=C1OCC	REAL300013369822	0	52	0.0	-63.12	393.94	9.54	-53.58
CCC1=CC(NC2CCCC(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013369824	1	46	0.0	-60.41	363.12	9.32	-51.09
COC1=CC2=[NH+]C=CC(NC3CCCC(C(=O)[O-])C3)=C2C=C1Br	REAL300013369861	0	42	0.0	-65.74	341.56	8.43	-57.31
CC1(C)CCCN(C2=CC=[NH+]C(NC3CCCC(C(=O)[O-])C3)=N2)C1	REAL300013369869	0	52	0.0	-61.63	381.82	10.78	-50.85
CC1=CC2=C(NC3CCCC(C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013369874	0	51	0.0	-56.70	372.13	11.09	-45.61
CC1=CC(C(F)(F)F)=CC(NC2CCCC(C(=O)[O-])C2)=[NH+]1	REAL300013369877	0	38	0.0	-55.69	308.05	8.64	-47.05
O=C([O-])C1CCCC(NC2=CC(NC3=CC=CC=C3)=NC=[NH+]2)C1	REAL300013369879	1	43	0.0	-57.78	335.06	10.97	-46.81
O=C([O-])C1CCCC(NC2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C1	REAL300013369879	1	43	0.0	-62.10	337.93	9.77	-52.33
COC1=CC2=[NH+]C=CC(NC3CCCC(C(=O)[O-])C3)=C2C=C1OC	REAL300013369882	0	46	0.0	-63.36	350.23	7.70	-55.66
O=C([O-])C1CCCC(NC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013369910	0	47	0.0	-62.70	366.57	11.05	-51.65
CC1=CC=C2C(NC3CCCC(C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013369936	0	44	0.0	-51.86	345.65	10.18	-41.68
CC1=[NH+]C(NC2=CC=CC=C2)=CC(NC2CCCC(C(=O)[O-])C2)=N1	REAL300013369938	0	46	0.0	-55.74	355.18	10.44	-45.30
CC1=NC(NC2=CC=CC=C2)=CC(NC2CCCC(C(=O)[O-])C2)=[NH+]1	REAL300013369938	1	46	0.0	-54.42	357.19	10.89	-43.53
CC1=[NH+]C=CC(NC2CCCC(C(=O)[O-])C2)=C1Br	REAL300013369941	0	35	0.0	-63.25	285.32	7.42	-55.83
CN(C1=CC=[NH+]C(NC2CCCC(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013369943	0	52	0.0	-58.41	382.06	12.46	-45.95
CC1=CC(N(C)C(C)C)=NC(NC2CCCC(C(=O)[O-])C2)=[NH+]1	REAL300013369944	0	48	0.0	-54.44	357.03	11.37	-43.07
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC2CCCC(C(=O)[O-])C2)=[NH+]1	REAL300013369947	0	49	0.0	-59.12	378.49	12.55	-46.57
CC1=CC(N2C=CC=N2)=NC(NC2CCCC(C(=O)[O-])C2)=[NH+]1	REAL300013369948	1	41	0.0	-57.66	326.44	10.60	-47.06
CC1=CC(NC2CCCC(C(=O)[O-])C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013369951	0	48	0.0	-56.57	361.46	11.08	-45.49
CN(C1=[NH+]C=CC(NC2CCCC(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013369954	0	52	0.0	-60.75	381.56	12.38	-48.37
CC1=CC(NC2CCCC(C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013369956	1	49	0.0	-58.73	383.39	13.05	-45.68
O=C([O-])C1CCCC(NC2=C3C=CNC3=NC(C3CC3)=[NH+]2)C1	REAL300013369998	0	42	0.0	-51.17	325.60	9.81	-41.36
O=C([O-])C1CCCC(NC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)C1	REAL300013369999	0	42	0.0	-62.64	337.81	8.26	-54.38
CN(C)C1=CC(NC2CCCC(C(=O)[O-])C2)=[NH+]C(N(C)C)=N1	REAL300013370003	0	47	0.0	-49.87	352.28	10.97	-38.90
CN(C)C1=CC(NC2CCCC(C(=O)[O-])C2)=NC(N(C)C)=[NH+]1	REAL300013370003	1	47	0.0	-55.33	348.52	10.81	-44.52
CC1=C(Cl)C2=[NH+]C=CC(NC3CCCC(C(=O)[O-])C3)=C2C=C1	REAL300013370010	1	41	0.0	-55.82	324.84	9.61	-46.21
CN(CC1=CN=C2C=CC(Cl)=CN12)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013370048	0	35	0.0	-52.89	310.42	9.59	-43.30
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC(F)=CC(F)=C2)CC1	REAL300013370072	0	38	0.0	-49.00	311.56	8.03	-40.97
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(C1)C1=CC=CC=C1C=C2	REAL300013370093	0	39	0.0	-51.38	311.02	11.22	-40.16
CCC[N@@H+]1CCCCC1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013370108	0	43	0.0	-65.00	333.48	8.73	-56.27
CCC[N@H+]1CCCCC1CNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013370108	1	43	0.0	-62.69	337.95	9.37	-53.32
CCC[N@@H+]1CCCCC1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013370109	0	46	0.0	-101.22	346.65	9.07	-92.15
CCC[N@H+]1CCCCC1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013370109	1	46	0.0	-95.94	351.13	9.73	-86.21
CC1=CC=C(C2(C)CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013370132	0	45	0.0	-51.70	338.59	11.28	-40.42
O=C([O-])C1=CC=CC(N2CCC(NC3=CC=[NH+]C=C3Cl)CC2)=N1	REAL300013370139	1	40	0.0	-74.67	334.58	6.85	-67.82
O=C([O-])C1=CC=C[NH+]=C1N1CCC(NC2=CC=NC=C2Cl)CC1	REAL300013370140	0	40	0.0	-54.39	332.92	7.66	-46.73
O=C([O-])C1=CN=C(N2CCC(NC3=CC=[NH+]C=C3Cl)CC2)C(Cl)=C1	REAL300013370141	1	40	0.0	-64.71	353.09	7.53	-57.18
O=C([O-])C1=CC=CC(N2CCC(NC3=CC=[NH+]C=C3Cl)CC2)=N1	REAL300013370142	1	40	0.0	-74.67	334.58	6.85	-67.82
O=C([O-])C1=CC=CC(N2CCC(NC3=CC=[NH+]C=C3Cl)CC2)=N1	REAL300013370143	1	40	0.0	-74.67	334.58	6.85	-67.82
O=C([O-])C1=CC2=C(N3CCC(NC4=CC=[NH+]C=C4Cl)CC3)N=CNC2=N1	REAL300013370144	1	43	0.0	-95.93	360.19	8.63	-87.30
CC1=CC=CC=C1S(=O)(=O)N1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013370172	0	44	0.0	-55.99	346.89	6.89	-49.10
CC1=[NH+]C2=CC=C(F)C=C2C(NCC2(C(=O)[O-])CCCOC2)=C1	REAL300013370202	0	42	0.0	-47.79	327.18	7.31	-40.48
O=C([O-])C1(CNC2=CC(N3CCSCC3)=NC=[NH+]2)CCCOC1	REAL300013370209	0	45	0.0	-41.94	346.58	7.49	-34.45
O=C([O-])C1(CNC2=CC(N3CCSCC3)=[NH+]C=N2)CCCOC1	REAL300013370209	1	45	0.0	-49.25	345.58	7.06	-42.19
O=C([O-])C1(CNC2=CC(NCC3CC3)=NC=[NH+]2)CCCOC1	REAL300013370218	0	44	0.0	-39.48	339.45	7.21	-32.27
O=C([O-])C1(CNC2=CC(NCC3CC3)=[NH+]C=N2)CCCOC1	REAL300013370218	1	44	0.0	-49.28	339.44	7.21	-42.07
O=C([O-])C1(CNC2=CC(N3CCCC3)=NC=[NH+]2)CCCOC1	REAL300013370229	0	44	0.0	-38.66	330.37	6.86	-31.80
O=C([O-])C1(CNC2=CC(N3CCCC3)=[NH+]C=N2)CCCOC1	REAL300013370229	1	44	0.0	-45.74	329.74	6.51	-39.23
O=C([O-])C1(CNC2=CC(N3CCCCC3)=NC=[NH+]2)CCCOC1	REAL300013370230	0	47	0.0	-39.66	347.24	7.60	-32.06
O=C([O-])C1(CNC2=CC(N3CCCCC3)=[NH+]C=N2)CCCOC1	REAL300013370230	1	47	0.0	-47.56	344.84	7.44	-40.12
O=C([O-])C1(CNC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CCCOC1	REAL300013370231	0	51	0.0	-42.39	378.84	4.88	-37.51
O=C([O-])C1(CNC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CCCOC1	REAL300013370231	1	51	0.0	-50.94	376.51	4.73	-46.21
CCCC1=[NH+]C2=CC=CC=C2C(NCC2(C(=O)[O-])CCCOC2)=C1	REAL300013370232	0	48	0.0	-42.14	363.71	8.77	-33.37
COC1=CC2=NC(NCC3(C(=O)[O-])CCCOC3)=[NH+]C(N)=C2C=C1OC	REAL300013370262	0	48	0.0	-49.72	367.77	6.13	-43.59
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)CCCOC1	REAL300013370275	0	42	0.0	-47.94	338.38	7.67	-40.27
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(Cl)C=C23)CCCOC1	REAL300013370288	1	39	0.0	-50.60	316.19	7.20	-43.40
O=C([O-])C1(CNC2=CC(C(F)(F)F)=CC=[NH+]2)CCCOC1	REAL300013370291	1	36	0.0	-43.11	295.39	6.35	-36.76
CC(C)(C)C1=CC(NCC2(C(=O)[O-])CCCOC2)=NC(C(C)(C)C)=[NH+]1	REAL300013370292	1	56	0.0	-41.76	408.07	9.44	-32.32
O=C([O-])C1(CNC2=CC(N3CCOCC3)=NC=[NH+]2)CCCOC1	REAL300013370300	0	45	0.0	-41.36	338.34	5.14	-36.22
O=C([O-])C1(CNC2=CC(N3CCOCC3)=[NH+]C=N2)CCCOC1	REAL300013370300	1	45	0.0	-49.07	335.93	4.99	-44.08
CC1=CC(NCC2(C(=O)[O-])CCCOC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013370307	1	47	0.0	-53.93	378.03	9.57	-44.36
CC1=CC2=[NH+]C(NCC3(C(=O)[O-])CCCOC3)=CC(C)=C2C=C1	REAL300013370320	1	45	0.0	-35.86	341.36	8.65	-27.21
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(Cl)=CC=C23)CCCOC1	REAL300013370338	1	39	0.0	-46.24	316.17	7.19	-39.05
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(Br)=CC=C23)CCCOC1	REAL300013370351	1	39	0.0	-46.37	320.73	7.29	-39.08
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC2(C(=O)[O-])CCCOC2)=C1C	REAL300013370382	0	45	0.0	-49.41	355.10	8.38	-41.03
CC1=C(NCC2(C(=O)[O-])CCCOC2)C2=CC=CC=C2[NH+]=C1	REAL300013370395	0	42	0.0	-51.64	318.52	7.21	-44.43
NC1=[NH+]C(NCC2(C(=O)[O-])CCCOC2)=CC(N2C=CC=N2)=N1	REAL300013370415	0	41	0.0	-39.70	327.16	6.82	-32.88
O=C([O-])C1(CNC2=[NH+]C=CC(N3CCOCC3)=N2)CCCOC1	REAL300013370420	0	45	0.0	-47.94	338.26	5.90	-42.04
COC1=CC=CC2=C(NCC3(C(=O)[O-])CCCOC3)C=C(C)[NH+]=C12	REAL300013370425	1	46	0.0	-40.01	349.11	6.68	-33.33
CCOC(=O)C1=C(NCC2(C(=O)[O-])CCCOC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013370426	1	54	0.0	-52.53	397.81	10.07	-42.46
CCC1=[NH+]C2=CC=CC=C2C(NCC2(C(=O)[O-])CCCOC2)=C1	REAL300013370437	0	45	0.0	-42.33	342.21	7.99	-34.34
O=C([O-])C1(CNC2=CC(C(F)(F)F)=CC=[NH+]2)CCCOC1	REAL300013370441	1	36	0.0	-43.11	295.39	6.35	-36.76
CC(C)C1=[NH+]C(NCC2(C(=O)[O-])CCCOC2)=NC(N(C)C)=N1	REAL300013370451	1	48	0.0	-37.23	363.41	11.01	-26.22
CC(C)C1=NC(NCC2(C(=O)[O-])CCCOC2)=NC(N(C)C)=[NH+]1	REAL300013370451	1	48	0.0	-51.01	365.86	11.34	-39.67
O=C([O-])C1(CNC2=CC=[NH+]C(N3CCCCC3)=N2)CCCOC1	REAL300013370457	0	47	0.0	-48.68	347.21	8.00	-40.68
CCC1=C(NCC2(C(=O)[O-])CCCOC2)C2=CC=CC=C2[NH+]=C1C	REAL300013370470	0	48	0.0	-45.53	354.34	8.39	-37.14
CC1=CC2=CC=CC=C2C(NCC2(C(=O)[O-])CCCOC2)=[NH+]1	REAL300013370472	0	42	0.0	-37.43	320.56	8.46	-28.97
O=C([O-])C1(CNC2=CC(N3CCCCC3CO)=NC=[NH+]2)CCCOC1	REAL300013370478	0	51	0.0	-41.26	377.13	4.06	-37.20
O=C([O-])C1(CNC2=CC(N3CCCCC3CO)=[NH+]C=N2)CCCOC1	REAL300013370478	1	51	0.0	-47.52	377.91	4.26	-43.26
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC2(C(=O)[O-])CCCOC2)=C1	REAL300013370482	0	44	0.0	-55.99	348.83	7.91	-48.08
CC1=[NH+]C2=CC=CC=C2C(NCC2(C(=O)[O-])CCCOC2)=C1C	REAL300013370488	0	45	0.0	-47.48	335.83	7.72	-39.76
CC1=C2[NH+]=CC(C)=C(NCC3(C(=O)[O-])CCCOC3)C2=CC=C1	REAL300013370495	0	45	0.0	-49.37	334.85	8.04	-41.33
O=C([O-])C1(CNC2=CC=[NH+]C=C2Br)CCCOC1	REAL300013370497	1	33	0.0	-52.54	275.26	5.17	-47.37
CN1CCN(C2=CC(NCC3(C(=O)[O-])CCCOC3)=[NH+]C=N2)CC1=O	REAL300013370498	0	48	0.0	-46.60	363.86	5.60	-41.00
CN1CCN(C2=CC(NCC3(C(=O)[O-])CCCOC3)=NC=[NH+]2)CC1=O	REAL300013370498	1	48	0.0	-57.15	361.57	5.43	-51.72
CCOC(=O)C1=C[NH+]=CC=C1NCC1(C(=O)[O-])CCCOC1	REAL300013370511	1	42	0.0	-62.95	328.14	6.27	-56.68
COC1=CC=CC2=C(NCC3(C(=O)[O-])CCCOC3)C(C)=C[NH+]=C12	REAL300013370520	1	46	0.0	-51.49	342.54	6.55	-44.94
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)CCCOC1	REAL300013370533	0	50	0.0	-53.70	388.27	9.52	-44.18
CCCCNC1=CC(NCC2(C(=O)[O-])CCCOC2)=NC(N)=[NH+]1	REAL300013370548	0	48	0.0	-46.40	365.92	6.58	-39.82
CCCCNC1=CC(NCC2(C(=O)[O-])CCCOC2)=[NH+]C(N)=N1	REAL300013370548	1	48	0.0	-36.61	365.92	6.58	-30.03
O=C([O-])C1(CNC2=CC=[NH+]C=C2Br)CCCOC1	REAL300013370556	1	33	0.0	-52.54	275.26	5.17	-47.37
CC(C)NC1=NC(NCCO)=[NH+]C(NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013370561	0	51	0.0	-38.57	393.46	7.36	-31.21
CC(C)NC1=NC(NCCO)=NC(NCC2(C(=O)[O-])CCCOC2)=[NH+]1	REAL300013370561	1	51	0.0	-38.06	392.80	7.33	-30.73
CC(C)NC1=[NH+]C(NCCO)=NC(NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013370561	1	51	0.0	-46.00	392.74	7.33	-38.67
O=C([O-])C1(CNC2=CC(C(F)(F)F)=CC=[NH+]2)CCCOC1	REAL300013370571	1	36	0.0	-43.11	295.39	6.35	-36.76
CCNC1=[NH+]C(NCC2(C(=O)[O-])CCCOC2)=NC(NC(C)(C)C)=N1	REAL300013370576	0	53	0.0	-37.27	394.64	11.58	-25.69
CCNC1=NC(NCC2(C(=O)[O-])CCCOC2)=NC(NC(C)(C)C)=[NH+]1	REAL300013370576	1	53	0.0	-46.13	390.56	11.20	-34.93
CCNC1=NC(NCC2(C(=O)[O-])CCCOC2)=[NH+]C(NC(C)(C)C)=N1	REAL300013370576	1	53	0.0	-36.76	396.25	11.68	-25.08
CN(C1=CC=CC=C1)C1=CC(NCC2(C(=O)[O-])CCCOC2)=[NH+]C=N1	REAL300013370598	1	47	0.0	-39.50	366.00	10.17	-29.33
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)CCCOC1	REAL300013370623	1	39	0.0	-50.54	321.98	7.25	-43.29
CC(O)C1CCN(C2=CC(NCC3(C(=O)[O-])CCCOC3)=[NH+]C=N2)C1	REAL300013370624	0	51	0.0	-39.62	376.54	4.94	-34.68
CC(O)C1CCN(C2=CC(NCC3(C(=O)[O-])CCCOC3)=NC=[NH+]2)C1	REAL300013370624	1	51	0.0	-49.36	377.17	4.54	-44.82
O=C([O-])C1(CNC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CCCOC1	REAL300013370626	1	42	0.0	-44.09	325.63	8.59	-35.50
CCCC1=CC2=C(NCC3(C(=O)[O-])CCCOC3)C=C[NH+]=C2C=C1	REAL300013370630	0	48	0.0	-47.85	363.83	8.90	-38.95
CCC1=CC2=C(NCC3(C(=O)[O-])CCCOC3)C=C[NH+]=C2C=C1	REAL300013370631	0	45	0.0	-47.68	342.33	8.10	-39.58
CC(C)OC1=CC2=C(NCC3(C(=O)[O-])CCCOC3)C=C[NH+]=C2C=C1	REAL300013370634	0	49	0.0	-52.51	368.61	7.53	-44.98
CC1=CC(NCC2(C(=O)[O-])CCCOC2)=[NH+]C2=CC=CC=C12	REAL300013370670	1	42	0.0	-36.28	320.02	7.99	-28.29
CC1=[NH+]C2=CC=CC=C2C(NCC2(C(=O)[O-])CCCOC2)=C1	REAL300013370695	0	42	0.0	-43.44	320.78	7.25	-36.19
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(Br)C=C23)CCCOC1	REAL300013370763	1	39	0.0	-50.46	320.75	7.30	-43.16
O=C([O-])C1(CNC2=CC=[NH+]C3=C(Br)C=CC=C23)CCCOC1	REAL300013370769	1	39	0.0	-41.20	318.10	7.38	-33.82
CCOC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCCOC3)=C2C=C1OCC	REAL300013370783	0	53	0.0	-49.71	401.59	7.76	-41.95
CCC1=CC(NCC2(C(=O)[O-])CCCOC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013370785	1	47	0.0	-47.31	366.45	7.85	-39.46
O=C([O-])C1(CNC2=[NH+]C=CC(N3CCCC3)=N2)CCCOC1	REAL300013370797	0	44	0.0	-45.27	330.32	7.59	-37.68
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(F)=CC=C23)CCCOC1	REAL300013370818	0	39	0.0	-46.42	305.87	6.77	-39.65
COC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCCOC3)=C2C=C1Br	REAL300013370832	0	43	0.0	-51.16	349.22	6.66	-44.50
O=C([O-])C1(CNC2=[NH+]C=CC3=CC(F)=CC=C32)CCCOC1	REAL300013370835	1	39	0.0	-49.24	308.55	8.32	-40.92
CC1=CC2=C(NCC3(C(=O)[O-])CCCOC3)[NH+]=CC=C2C=C1	REAL300013370836	1	42	0.0	-40.20	320.64	8.54	-31.66
CC1=CC=CC2=C(NCC3(C(=O)[O-])CCCOC3)[NH+]=CC=C12	REAL300013370837	1	42	0.0	-39.59	317.22	8.42	-31.17
CC1(C)CCCN(C2=CC=[NH+]C(NCC3(C(=O)[O-])CCCOC3)=N2)C1	REAL300013370845	0	53	0.0	-48.44	385.09	9.22	-39.22
CC1=CC2=C(NCC3(C(=O)[O-])CCCOC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013370850	0	52	0.0	-46.98	386.97	9.82	-37.16
CC1=CC(C(F)(F)F)=CC(NCC2(C(=O)[O-])CCCOC2)=[NH+]1	REAL300013370853	0	39	0.0	-38.90	316.54	6.90	-32.00
COC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCCOC3)=C2C=C1OC	REAL300013370859	0	47	0.0	-49.85	357.87	5.92	-43.93
O=C([O-])C1(CNC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CCCOC1	REAL300013370897	0	48	0.0	-48.59	369.31	9.48	-39.11
CC1=CC=C2C(NCC3(C(=O)[O-])CCCOC3)=CC(C)=[NH+]C2=C1Cl	REAL300013370927	0	45	0.0	-38.05	353.80	8.40	-29.65
CC1=NC(NCC2(C(=O)[O-])CCCOC2)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013370929	0	47	0.0	-46.84	363.03	8.24	-38.60
CC1=[NH+]C(NCC2(C(=O)[O-])CCCOC2)=CC(NC2=CC=CC=C2)=N1	REAL300013370929	1	47	0.0	-37.90	365.02	9.06	-28.84
CC1=[NH+]C=CC(NCC2(C(=O)[O-])CCCOC2)=C1Br	REAL300013370932	0	36	0.0	-50.52	293.41	5.66	-44.86
CN(C1=CC=[NH+]C(NCC2(C(=O)[O-])CCCOC2)=N1)C1CCCCC1	REAL300013370934	0	53	0.0	-45.57	384.81	10.90	-34.67
CC1=CC(N(C)C(C)C)=NC(NCC2(C(=O)[O-])CCCOC2)=[NH+]1	REAL300013370935	0	49	0.0	-41.33	364.73	9.50	-31.83
O=C([O-])C1(CNC2=[NH+]C=CC(N3C=CN=C3)=N2)CCCOC1	REAL300013370936	1	39	0.0	-54.62	309.58	9.37	-45.25
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC2(C(=O)[O-])CCCOC2)=[NH+]1	REAL300013370939	0	50	0.0	-43.77	386.19	10.68	-33.09
CC1=CC(N2C=CC=N2)=NC(NCC2(C(=O)[O-])CCCOC2)=[NH+]1	REAL300013370940	1	42	0.0	-42.65	333.61	8.73	-33.92
CC1=CC(NCC2(C(=O)[O-])CCCOC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013370943	0	49	0.0	-45.51	364.87	9.61	-35.90
CN(C1=[NH+]C=CC(NCC2(C(=O)[O-])CCCOC2)=N1)C1CCCCC1	REAL300013370946	0	53	0.0	-49.52	384.96	10.94	-38.58
CC1=CC(NCC2(C(=O)[O-])CCCOC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013370948	1	50	0.0	-47.58	386.72	11.57	-36.01
CC1=CC=CC2=CC=[NH+]C(NCC3(C(=O)[O-])CCCOC3)=C12	REAL300013370971	0	42	0.0	-46.91	314.09	9.18	-37.73
O=C([O-])C1(CNC2=C3C=CNC3=NC(C3CC3)=[NH+]2)CCCOC1	REAL300013370996	1	43	0.0	-36.64	332.58	7.93	-28.71
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)CCCOC1	REAL300013370997	0	43	0.0	-47.69	345.37	6.48	-41.21
CN(C)C1=CC(NCC2(C(=O)[O-])CCCOC2)=[NH+]C(N(C)C)=N1	REAL300013371002	0	48	0.0	-35.13	358.84	9.22	-25.91
CN(C)C1=CC(NCC2(C(=O)[O-])CCCOC2)=NC(N(C)C)=[NH+]1	REAL300013371002	1	48	0.0	-44.58	356.90	9.03	-35.55
CC1=C(Cl)C2=[NH+]C=CC(NCC3(C(=O)[O-])CCCOC3)=C2C=C1	REAL300013371010	1	42	0.0	-41.28	332.51	7.83	-33.45
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC(Cl)=CC(C(F)(F)F)=C2)CC1	REAL300013371027	0	41	0.0	-48.49	354.13	9.39	-39.10
C[C@H]1CN(C2=[NH+]C=CC=C2C(=O)[O-])CCC2=CC=C(Cl)C=C21	REAL300013371031	0	39	0.0	-44.85	302.46	9.58	-35.27
O=C([O-])C1=CC=C[NH+]=C1N1CCC(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300013371057	0	42	0.0	-62.43	347.47	7.61	-54.82
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=[NH+]C3=CC=CC=C13)C2	REAL300013371087	0	45	0.0	-50.71	322.97	10.05	-40.66
CC1=[NH+]C2=CC=C(F)C=C2C(NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300013371095	0	48	0.0	-52.37	351.40	10.46	-41.91
CCC1=[NH+]C(C)=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300013371101	1	47	0.0	-52.05	339.06	9.55	-42.50
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(N3CCSCC3)=NC=[NH+]1)C2	REAL300013371106	0	51	0.0	-46.26	370.69	10.63	-35.63
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(N3CCSCC3)=[NH+]C=N1)C2	REAL300013371106	1	51	0.0	-52.85	372.52	10.49	-42.36
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(NCC3CC3)=[NH+]C=N1)C2	REAL300013371116	0	50	0.0	-54.61	366.45	9.85	-44.76
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(NCC3CC3)=NC=[NH+]1)C2	REAL300013371116	1	50	0.0	-45.84	364.26	9.99	-35.85
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(N3CCCC3)=NC=[NH+]1)C2	REAL300013371129	0	50	0.0	-41.95	354.50	10.02	-31.93
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(N3CCCC3)=[NH+]C=N1)C2	REAL300013371129	1	50	0.0	-49.74	353.34	9.88	-39.86
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(N3CCCCC3)=NC=[NH+]1)C2	REAL300013371130	0	53	0.0	-44.02	371.37	10.76	-33.26
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(N3CCCCC3)=[NH+]C=N1)C2	REAL300013371130	1	53	0.0	-49.56	368.32	10.80	-38.76
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(N3CCCC(CO)C3)=NC=[NH+]1)C2	REAL300013371131	0	57	0.0	-46.08	402.23	8.25	-37.83
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(N3CCCC(CO)C3)=[NH+]C=N1)C2	REAL300013371131	1	57	0.0	-54.61	403.40	7.38	-47.23
CCCC1=[NH+]C2=CC=CC=C2C(NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300013371132	0	54	0.0	-45.60	387.28	12.13	-33.47
COC1=CC2=NC(NC3CC4CCC3(C(=O)[O-])C4(C)C)=[NH+]C(N)=C2C=C1OC	REAL300013371166	0	54	0.0	-54.75	394.58	8.82	-45.93
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=[NH+]C3=CC(C(F)(F)F)=CC=C13)C2	REAL300013371181	0	48	0.0	-51.74	361.49	11.05	-40.69
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=[NH+]C3=CC=C(Cl)C=C13)C2	REAL300013371201	1	45	0.0	-54.56	339.80	10.55	-44.01
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(N3CCOCC3)=NC=[NH+]1)C2	REAL300013371216	0	51	0.0	-45.66	362.45	8.29	-37.37
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(N3CCOCC3)=[NH+]C=N1)C2	REAL300013371216	1	51	0.0	-54.62	360.79	8.14	-46.48
CC1=CC2=[NH+]C(NC3CC4CCC3(C(=O)[O-])C4(C)C)=CC(C)=C2C=C1	REAL300013371254	1	51	0.0	-40.71	366.35	11.76	-28.95
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=[NH+]C3=CC(Cl)=CC=C13)C2	REAL300013371278	1	45	0.0	-50.09	339.66	10.55	-39.54
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=[NH+]C3=CC(Br)=CC=C13)C2	REAL300013371294	1	45	0.0	-50.21	344.18	10.65	-39.56
CN(C)C1=[NH+]C=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300013371302	0	46	0.0	-54.72	330.36	10.70	-44.02
CCC1=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=NC(C)=[NH+]1	REAL300013371328	1	47	0.0	-50.95	339.98	9.55	-41.40
CC1(C)C2CCC1(C(=O)[O-])C(NC1=C3SC=CC3=[NH+]C=C1)C2	REAL300013371336	1	42	0.0	-53.89	319.79	8.39	-45.50
CC1=[NH+]C(C)=C(C)C(NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300013371339	1	47	0.0	-48.72	334.34	10.01	-38.71
CC(C)(C)C1=[NH+]C=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300013371344	1	50	0.0	-55.19	355.92	10.23	-44.96
CC1=[NH+]C(NC2CC3CCC2(C(=O)[O-])C3(C)C)=C2C=CNC2=N1	REAL300013371345	0	45	0.0	-43.45	327.64	9.75	-33.70
CC1=C(NC2CC3CCC2(C(=O)[O-])C3(C)C)C2=CC=CC=C2[NH+]=C1	REAL300013371347	0	48	0.0	-55.57	330.81	9.92	-45.65
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(N3C=CC=N3)=NC(N)=[NH+]1)C2	REAL300013371368	1	47	0.0	-49.05	354.16	9.47	-39.58
CN(C)C1=CC=[NH+]C(NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300013371370	0	46	0.0	-50.48	329.94	10.87	-39.61
CC1(C)C2CCC1(C(=O)[O-])C(NC1=[NH+]C=CC(N3CCOCC3)=N1)C2	REAL300013371376	0	51	0.0	-52.45	361.98	9.32	-43.13
COC1=CC=CC2=C(NC3CC4CCC3(C(=O)[O-])C4(C)C)C=C(C)[NH+]=C12	REAL300013371384	1	52	0.0	-46.03	375.42	9.31	-36.72
CCC1=[NH+]C2=CC=CC=C2C(NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300013371394	0	51	0.0	-47.08	367.28	11.13	-35.95
CC(C)C1=[NH+]C(NC2CC3CCC2(C(=O)[O-])C3(C)C)=NC(N(C)C)=N1	REAL300013371408	1	54	0.0	-42.38	387.09	14.44	-27.94
CC(C)C1=NC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=NC(N(C)C)=[NH+]1	REAL300013371408	1	54	0.0	-48.20	387.61	14.34	-33.86
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=[NH+]C(N3CCCCC3)=N1)C2	REAL300013371419	0	53	0.0	-52.09	370.73	11.37	-40.72
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=[NH+]C=C1C(N)=O)C2	REAL300013371429	0	43	0.0	-72.48	310.53	4.75	-67.73
CCC1=C(NC2CC3CCC2(C(=O)[O-])C3(C)C)C2=CC=CC=C2[NH+]=C1C	REAL300013371431	0	54	0.0	-47.78	366.60	11.07	-36.71
CC1=CC2=CC=CC=C2C(NC2CC3CCC2(C(=O)[O-])C3(C)C)=[NH+]1	REAL300013371433	0	48	0.0	-43.56	347.06	11.14	-32.42
CC1=[NH+]C=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1Cl	REAL300013371434	0	42	0.0	-56.45	316.42	8.19	-48.26
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(N3CCCCC3CO)=NC=[NH+]1)C2	REAL300013371443	0	57	0.0	-43.71	400.81	7.42	-36.29
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(N3CCCCC3CO)=[NH+]C=N1)C2	REAL300013371443	1	57	0.0	-50.79	401.57	7.62	-43.17
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300013371447	0	50	0.0	-60.08	372.47	11.27	-48.81
CC(C)(C)C1=[NH+]C=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300013371451	1	50	0.0	-55.19	355.92	10.23	-44.96
CC1=[NH+]C2=CC=CC=C2C(NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1C	REAL300013371455	0	51	0.0	-53.71	350.58	10.36	-43.35
CC1=C2[NH+]=CC(C)=C(NC3CC4CCC3(C(=O)[O-])C4(C)C)C2=CC=C1	REAL300013371463	0	51	0.0	-51.79	352.58	10.78	-41.01
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=[NH+]C=C1Br)C2	REAL300013371464	1	39	0.0	-56.66	299.46	8.31	-48.35
CN1CCN(C2=CC(NC3CC4CCC3(C(=O)[O-])C4(C)C)=[NH+]C=N2)CC1=O	REAL300013371465	0	54	0.0	-49.71	387.25	8.96	-40.75
CN1CCN(C2=CC(NC3CC4CCC3(C(=O)[O-])C4(C)C)=NC=[NH+]2)CC1=O	REAL300013371465	1	54	0.0	-54.97	380.71	8.16	-46.81
CCOC(=O)C1=C[NH+]=CC=C1NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300013371481	1	48	0.0	-67.62	352.62	9.41	-58.21
COC1=CC=CC2=C(NC3CC4CCC3(C(=O)[O-])C4(C)C)C(C)=C[NH+]=C12	REAL300013371488	1	52	0.0	-49.94	362.91	9.45	-40.49
CCCCNC1=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=NC(N)=[NH+]1	REAL300013371518	0	54	0.0	-51.67	391.90	9.20	-42.47
CCCCNC1=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=[NH+]C(N)=N1	REAL300013371518	1	54	0.0	-41.29	390.98	9.71	-31.58
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=[NH+]C=C1Br)C2	REAL300013371527	1	39	0.0	-56.66	299.46	8.31	-48.35
CC(C)NC1=[NH+]C(NCCO)=NC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300013371535	0	57	0.0	-48.79	416.84	10.79	-38.00
CC(C)NC1=NC(NCCO)=[NH+]C(NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300013371535	1	57	0.0	-45.38	420.66	10.06	-35.32
CC(C)NC1=NC(NCCO)=NC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=[NH+]1	REAL300013371535	1	57	0.0	-44.58	416.57	10.77	-33.81
CCNC1=[NH+]C(NC2CC3CCC2(C(=O)[O-])C3(C)C)=NC(NC(C)(C)C)=N1	REAL300013371549	0	59	0.0	-42.43	418.36	15.01	-27.42
CCNC1=NC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=NC(NC(C)(C)C)=[NH+]1	REAL300013371549	1	59	0.0	-46.31	416.43	14.75	-31.56
CCNC1=NC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=[NH+]C(NC(C)(C)C)=N1	REAL300013371549	1	59	0.0	-41.49	420.41	15.10	-26.39
CN(C1=CC=CC=C1)C1=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=[NH+]C=N1	REAL300013371577	1	53	0.0	-42.65	390.79	13.64	-29.01
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=[NH+]C3=CC(F)=C(Cl)C=C13)C2	REAL300013371602	1	45	0.0	-40.81	345.96	9.98	-30.83
CC(O)C1CCN(C2=CC(NC3CC4CCC3(C(=O)[O-])C4(C)C)=[NH+]C=N2)C1	REAL300013371603	0	57	0.0	-46.13	404.12	8.22	-37.91
CC(O)C1CCN(C2=CC(NC3CC4CCC3(C(=O)[O-])C4(C)C)=NC=[NH+]2)C1	REAL300013371603	1	57	0.0	-55.04	404.13	7.20	-47.84
CC1(C)C2CCC1(C(=O)[O-])C(NC1=[NH+]C=NC3=C1C1=C(C=CC=C1)N3)C2	REAL300013371606	1	48	0.0	-48.41	349.16	12.01	-36.40
CCCC1=CC2=C(NC3CC4CCC3(C(=O)[O-])C4(C)C)C=C[NH+]=C2C=C1	REAL300013371610	0	54	0.0	-40.73	387.80	11.62	-29.11
CCC1=CC2=C(NC3CC4CCC3(C(=O)[O-])C4(C)C)C=C[NH+]=C2C=C1	REAL300013371611	0	51	0.0	-40.73	366.32	10.84	-29.89
CC(C)OC1=CC2=C(NC3CC4CCC3(C(=O)[O-])C4(C)C)C=C[NH+]=C2C=C1	REAL300013371615	0	55	0.0	-41.98	392.62	10.28	-31.70
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(NC3CC3)=[NH+]C=N1)C2	REAL300013371623	0	47	0.0	-54.08	342.09	9.65	-44.43
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC(NC3CC3)=NC=[NH+]1)C2	REAL300013371623	1	47	0.0	-42.61	340.50	9.85	-32.76
CC1=[NH+]C2=CC=CC=C2C(NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300013371672	0	48	0.0	-48.73	345.86	10.38	-38.35
CC1=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013371710	1	50	0.0	-39.27	368.76	9.85	-29.42
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=[NH+]C3=CC=C(Br)C=C13)C2	REAL300013371733	1	45	0.0	-54.39	344.35	10.65	-43.74
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=[NH+]C3=C(Br)C=CC=C13)C2	REAL300013371740	1	45	0.0	-38.63	342.08	10.12	-28.51
CCOC1=CC2=[NH+]C=CC(NC3CC4CCC3(C(=O)[O-])C4(C)C)=C2C=C1OCC	REAL300013371754	0	59	0.0	-53.66	425.19	11.12	-42.54
CC(C)C1=[NH+]C=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300013371766	1	47	0.0	-54.88	336.72	9.54	-45.34
CC1(C)C2CCC1(C(=O)[O-])C(NC1=[NH+]C=CC(N3CCCC3)=N1)C2	REAL300013371767	0	50	0.0	-50.58	353.20	11.09	-39.49
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=[NH+]C3=CC(F)=CC=C13)C2	REAL300013371788	0	45	0.0	-50.26	329.36	10.12	-40.14
CC1(C)C2CCC1(C(=O)[O-])C(NC1=[NH+]C=CC3=CC(F)=CC=C31)C2	REAL300013371807	1	45	0.0	-45.14	329.98	11.16	-33.98
CC1=CC2=C(NC3CC4CCC3(C(=O)[O-])C4(C)C)[NH+]=CC=C2C=C1	REAL300013371808	1	48	0.0	-44.75	344.96	11.75	-33.00
CC1=CC=CC2=C(NC3CC4CCC3(C(=O)[O-])C4(C)C)[NH+]=CC=C12	REAL300013371809	1	48	0.0	-43.77	341.04	11.84	-31.93
CC1(C)C2CCC1(C(=O)[O-])C(NC1=NC(N3CCCC(C)(C)C3)=CC=[NH+]1)C2	REAL300013371815	0	59	0.0	-51.29	407.51	13.15	-38.14
CC1=CC2=C(NC3CC4CCC3(C(=O)[O-])C4(C)C)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013371820	0	58	0.0	-50.02	399.92	12.37	-37.65
CC1=CC(C(F)(F)F)=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=[NH+]1	REAL300013371824	1	45	0.0	-48.02	342.77	9.53	-38.49
COC1=CC2=[NH+]C=CC(NC3CC4CCC3(C(=O)[O-])C4(C)C)=C2C=C1OC	REAL300013371831	0	53	0.0	-53.77	381.48	9.28	-44.49
COC1=C(N)[NH+]=CN=C1NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300013371851	0	44	0.0	-53.58	323.23	7.20	-46.38
COC1=C(N)N=C[NH+]=C1NC1CC2CCC1(C(=O)[O-])C2(C)C	REAL300013371851	1	44	0.0	-33.15	323.17	6.72	-26.43
CC1(C)C2CCC1(C(=O)[O-])C(NC1=C3SC=CC3=[NH+]C=C1)C2	REAL300013371863	1	42	0.0	-53.89	319.79	8.39	-45.50
CC1(C)C2CCC1(C(=O)[O-])C(NC1=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N1)C2	REAL300013371880	0	54	0.0	-52.34	393.08	12.93	-39.41
CC1(C)C2CCC1(C(=O)[O-])C(NC1=[NH+]C=CC3=CC=CC=C31)C2	REAL300013371896	1	45	0.0	-34.61	324.43	10.93	-23.68
CC1=CC=C2C(NC3CC4CCC3(C(=O)[O-])C4(C)C)=CC(C)=[NH+]C2=C1Cl	REAL300013371918	0	51	0.0	-41.96	377.52	11.78	-30.18
CC1(C)C2CCC1(C(=O)[O-])C(NC1=[NH+]C=CC3=CC=CC=C31)C2	REAL300013371920	1	45	0.0	-34.61	324.43	10.93	-23.68
CC1=[NH+]C(NC2=CC=CC=C2)=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300013371921	1	53	0.0	-50.02	386.49	11.60	-38.42
CC1=NC(NC2=CC=CC=C2)=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=[NH+]1	REAL300013371921	1	53	0.0	-39.16	386.54	11.61	-27.55
CC1=[NH+]C=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1Br	REAL300013371925	0	42	0.0	-56.43	320.01	8.28	-48.15
CN(C)C1=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=[NH+]C=N1	REAL300013371927	0	46	0.0	-42.98	328.30	10.19	-32.79
CN(C)C1=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=NC=[NH+]1	REAL300013371927	1	46	0.0	-52.87	327.90	9.99	-42.88
CN(C1=CC=[NH+]C(NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1)C1CCCCC1	REAL300013371928	0	59	0.0	-49.94	412.01	13.59	-36.35
CC1=CC(N(C)C(C)C)=NC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=[NH+]1	REAL300013371929	0	55	0.0	-46.94	391.75	12.22	-34.72
CC1(C)C2CCC1(C(=O)[O-])C(NC1=[NH+]C=CC(N3C=CN=C3)=N1)C2	REAL300013371930	1	45	0.0	-59.28	336.76	12.08	-47.20
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=[NH+]1	REAL300013371933	0	56	0.0	-30.91	412.23	14.59	-16.32
CC1=CC(N2C=CC=N2)=NC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=[NH+]1	REAL300013371934	1	48	0.0	-47.51	357.95	11.95	-35.56
CC1=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=NC(N(C)C(C)C)=[NH+]1	REAL300013371937	0	55	0.0	-49.96	389.01	12.77	-37.19
CN(C1=[NH+]C=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=N1)C1CCCCC1	REAL300013371940	0	59	0.0	-53.60	408.62	14.29	-39.31
CC1=CC=CC2=CC=[NH+]C(NC3CC4CCC3(C(=O)[O-])C4(C)C)=C12	REAL300013371971	0	48	0.0	-45.90	333.62	11.86	-34.04
CC1(C)C2CCC1(C(=O)[O-])C(NC1=C3C=CNC3=NC(C3CC3)=[NH+]1)C2	REAL300013372000	1	49	0.0	-35.59	357.81	10.99	-24.60
CC1(C)C2CCC1(C(=O)[O-])C(NC1=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C13)C2	REAL300013372001	0	49	0.0	-51.62	368.82	9.84	-41.78
CN(C)C1=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=[NH+]C(N(C)C)=N1	REAL300013372008	0	54	0.0	-42.89	386.61	11.88	-31.01
CN(C)C1=CC(NC2CC3CCC2(C(=O)[O-])C3(C)C)=NC(N(C)C)=[NH+]1	REAL300013372008	1	54	0.0	-49.94	385.19	11.63	-38.31
CC1=C(Cl)C2=[NH+]C=CC(NC3CC4CCC3(C(=O)[O-])C4(C)C)=C2C=C1	REAL300013372018	1	48	0.0	-47.33	358.63	10.46	-36.87
COC1=CC=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)C=C1OC	REAL300013372021	0	44	0.0	-54.66	346.90	8.84	-45.82
CC(C)(F)COC1=CC=C2CN(C3=[NH+]C=CC=C3C(=O)[O-])CCC2=C1	REAL300013372027	0	46	0.0	-53.15	367.20	10.91	-42.24
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=NC(C(F)(F)F)=NC=C2C1	REAL300013372033	0	34	0.0	-56.07	299.00	7.44	-48.63
CC1CN(C2=[NH+]C=CC=C2C(=O)[O-])CC2=CC(Br)=CC=C21	REAL300013372043	0	36	0.0	-49.53	307.02	10.18	-39.35
CN1C(=O)NC(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C1=O	REAL300013372064	0	41	0.0	-52.68	326.48	5.32	-47.36
CN(CC1=CN=C(N2C=CC=N2)S1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013372079	0	35	0.0	-58.72	313.04	8.25	-50.47
CC1=[NH+]C2=CC=C(F)C=C2C(NCC2(C(=O)[O-])CCOC2)=C1	REAL300013372094	0	39	0.0	-52.64	311.86	6.36	-46.28
O=C([O-])C1(CNC2=CC(N3CCSCC3)=NC=[NH+]2)CCOC1	REAL300013372100	0	42	0.0	-45.42	331.24	6.53	-38.89
O=C([O-])C1(CNC2=CC(N3CCSCC3)=[NH+]C=N2)CCOC1	REAL300013372100	1	42	0.0	-54.29	330.25	6.11	-48.18
O=C([O-])C1(CNC2=CC(N3CCCCC3)=NC=[NH+]2)CCOC1	REAL300013372114	0	44	0.0	-42.74	331.92	6.64	-36.10
O=C([O-])C1(CNC2=CC(N3CCCCC3)=[NH+]C=N2)CCOC1	REAL300013372114	1	44	0.0	-50.82	329.53	6.49	-44.33
O=C([O-])C1(CNC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CCOC1	REAL300013372115	0	48	0.0	-45.32	363.55	3.93	-41.39
O=C([O-])C1(CNC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CCOC1	REAL300013372115	1	48	0.0	-49.18	360.57	3.88	-45.30
CCCC1=[NH+]C2=CC=CC=C2C(NCC2(C(=O)[O-])CCOC2)=C1	REAL300013372116	0	45	0.0	-42.27	349.79	8.00	-34.27
COC1=CC2=NC(NCC3(C(=O)[O-])CCOC3)=[NH+]C(N)=C2C=C1OC	REAL300013372142	0	45	0.0	-49.73	351.85	5.28	-44.45
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)CCOC1	REAL300013372151	0	39	0.0	-52.99	322.69	6.73	-46.26
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(Cl)C=C23)CCOC1	REAL300013372160	1	36	0.0	-55.71	300.87	6.24	-49.47
CC(C)(C)C1=CC(NCC2(C(=O)[O-])CCOC2)=NC(C(C)(C)C)=[NH+]1	REAL300013372162	1	53	0.0	-46.59	392.75	8.47	-38.12
O=C([O-])C1(CNC2=CC(N3CCOCC3)=NC=[NH+]2)CCOC1	REAL300013372169	0	42	0.0	-44.88	323.00	4.18	-40.70
O=C([O-])C1(CNC2=CC(N3CCOCC3)=[NH+]C=N2)CCOC1	REAL300013372169	1	42	0.0	-53.92	320.62	4.05	-49.87
CC1=CC(NCC2(C(=O)[O-])CCOC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013372174	1	44	0.0	-53.78	362.10	8.73	-45.05
CC1=CC2=[NH+]C(NCC3(C(=O)[O-])CCOC3)=CC(C)=C2C=C1	REAL300013372185	1	42	0.0	-40.50	326.04	7.67	-32.83
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(Cl)=CC=C23)CCOC1	REAL300013372202	1	36	0.0	-51.23	300.85	6.23	-45.00
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(Br)=CC=C23)CCOC1	REAL300013372211	1	36	0.0	-51.32	305.41	6.33	-44.99
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC2(C(=O)[O-])CCOC2)=C1C	REAL300013372237	0	42	0.0	-51.72	342.24	7.55	-44.17
NC1=[NH+]C(NCC2(C(=O)[O-])CCOC2)=CC(N2C=CC=N2)=N1	REAL300013372263	0	38	0.0	-43.49	311.84	5.85	-37.64
O=C([O-])C1(CNC2=[NH+]C=CC(N3CCOCC3)=N2)CCOC1	REAL300013372266	0	42	0.0	-54.36	322.94	4.93	-49.43
COC1=CC=CC2=C(NCC3(C(=O)[O-])CCOC3)C=C(C)[NH+]=C12	REAL300013372271	1	43	0.0	-44.30	333.79	5.72	-38.58
CCOC(=O)C1=C(NCC2(C(=O)[O-])CCOC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013372272	1	48	0.0	-64.59	380.44	6.04	-58.55
CCOC(=O)C1=C(NCC2(C(=O)[O-])CCOC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013372273	1	51	0.0	-55.87	390.59	8.74	-47.13
CCC1=[NH+]C2=CC=CC=C2C(NCC2(C(=O)[O-])CCOC2)=C1	REAL300013372278	0	42	0.0	-42.36	328.29	7.22	-35.14
CC(C)C1=[NH+]C(NCC2(C(=O)[O-])CCOC2)=NC(N(C)C)=N1	REAL300013372286	1	45	0.0	-43.20	348.59	9.95	-33.25
CC(C)C1=NC(NCC2(C(=O)[O-])CCOC2)=NC(N(C)C)=[NH+]1	REAL300013372286	1	45	0.0	-47.66	347.34	10.08	-37.58
O=C([O-])C1(CNC2=CC=[NH+]C(N3CCCCC3)=N2)CCOC1	REAL300013372292	0	44	0.0	-48.38	331.25	7.15	-41.23
CCC1=C(NCC2(C(=O)[O-])CCOC2)C2=CC=CC=C2[NH+]=C1C	REAL300013372302	0	45	0.0	-46.52	338.11	7.55	-38.97
O=C([O-])C1(CNC2=CC(N3CCCCC3CO)=NC=[NH+]2)CCOC1	REAL300013372308	0	48	0.0	-42.28	363.22	3.29	-38.99
O=C([O-])C1(CNC2=CC(N3CCCCC3CO)=[NH+]C=N2)CCOC1	REAL300013372308	1	48	0.0	-51.83	362.60	3.31	-48.52
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC2(C(=O)[O-])CCOC2)=C1	REAL300013372313	0	41	0.0	-56.27	334.92	7.14	-49.13
CC1=[NH+]C2=CC=CC=C2C(NCC2(C(=O)[O-])CCOC2)=C1C	REAL300013372317	0	42	0.0	-53.13	320.36	6.75	-46.38
CC1=C2[NH+]=CC(C)=C(NCC3(C(=O)[O-])CCOC3)C2=CC=C1	REAL300013372324	0	42	0.0	-55.60	321.02	7.00	-48.60
O=C([O-])C1(CNC2=CC=[NH+]C=C2Br)CCOC1	REAL300013372326	1	30	0.0	-52.68	261.34	4.39	-48.29
CN1CCN(C2=CC(NCC3(C(=O)[O-])CCOC3)=[NH+]C=N2)CC1=O	REAL300013372327	0	45	0.0	-51.30	348.54	4.65	-46.65
CN1CCN(C2=CC(NCC3(C(=O)[O-])CCOC3)=NC=[NH+]2)CC1=O	REAL300013372327	1	45	0.0	-47.75	341.05	3.95	-43.80
COC1=CC=CC2=C(NCC3(C(=O)[O-])CCOC3)C(C)=C[NH+]=C12	REAL300013372348	1	43	0.0	-48.60	329.09	5.54	-43.06
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)CCOC1	REAL300013372358	0	47	0.0	-57.57	374.54	8.63	-48.94
O=C([O-])C1(CNC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)CCOC1	REAL300013372364	1	43	0.0	-36.12	353.73	8.85	-27.27
CCCCNC1=CC(NCC2(C(=O)[O-])CCOC2)=NC(N)=[NH+]1	REAL300013372371	0	45	0.0	-50.82	350.60	5.62	-45.20
CCCCNC1=CC(NCC2(C(=O)[O-])CCOC2)=[NH+]C(N)=N1	REAL300013372371	1	45	0.0	-37.28	352.01	5.80	-31.48
O=C([O-])C1(CNC2=CC=[NH+]C=C2Br)CCOC1	REAL300013372378	1	30	0.0	-52.68	261.34	4.39	-48.29
CC(C)NC1=NC(NCCO)=[NH+]C(NCC2(C(=O)[O-])CCOC2)=N1	REAL300013372383	0	48	0.0	-45.46	378.14	6.40	-39.06
CC(C)NC1=NC(NCCO)=NC(NCC2(C(=O)[O-])CCOC2)=[NH+]1	REAL300013372383	1	48	0.0	-37.95	376.87	6.48	-31.47
CC(C)NC1=[NH+]C(NCCO)=NC(NCC2(C(=O)[O-])CCOC2)=N1	REAL300013372383	1	48	0.0	-48.68	377.54	6.37	-42.31
CCNC1=[NH+]C(NCC2(C(=O)[O-])CCOC2)=NC(NC(C)(C)C)=N1	REAL300013372396	0	50	0.0	-43.28	379.32	10.64	-32.64
CCNC1=NC(NCC2(C(=O)[O-])CCOC2)=NC(NC(C)(C)C)=[NH+]1	REAL300013372396	1	50	0.0	-41.36	376.54	10.43	-30.93
CCNC1=NC(NCC2(C(=O)[O-])CCOC2)=[NH+]C(NC(C)(C)C)=N1	REAL300013372396	1	50	0.0	-34.90	376.53	10.44	-24.46
CN(C1=CC=CC=C1)C1=CC(NCC2(C(=O)[O-])CCOC2)=[NH+]C=N1	REAL300013372411	1	44	0.0	-44.81	349.37	8.42	-36.39
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)CCOC1	REAL300013372435	1	36	0.0	-56.09	306.66	6.29	-49.80
CC(O)C1CCN(C2=CC(NCC3(C(=O)[O-])CCOC3)=[NH+]C=N2)C1	REAL300013372436	0	48	0.0	-45.39	361.23	3.97	-41.42
CC(O)C1CCN(C2=CC(NCC3(C(=O)[O-])CCOC3)=NC=[NH+]2)C1	REAL300013372436	1	48	0.0	-48.81	361.25	3.69	-45.12
O=C([O-])C1(CNC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CCOC1	REAL300013372438	1	39	0.0	-49.98	310.32	7.63	-42.35
CCCC1=CC2=C(NCC3(C(=O)[O-])CCOC3)C=C[NH+]=C2C=C1	REAL300013372441	0	45	0.0	-52.34	348.51	7.93	-44.41
CCC1=CC2=C(NCC3(C(=O)[O-])CCOC3)C=C[NH+]=C2C=C1	REAL300013372442	0	42	0.0	-52.25	327.01	7.15	-45.10
CC(C)OC1=CC2=C(NCC3(C(=O)[O-])CCOC3)C=C[NH+]=C2C=C1	REAL300013372444	0	46	0.0	-57.62	353.29	6.58	-51.04
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(Br)C=C23)CCOC1	REAL300013372561	1	36	0.0	-55.62	305.43	6.34	-49.28
O=C([O-])C1(CNC2=CC=[NH+]C3=C(Br)C=CC=C23)CCOC1	REAL300013372568	1	36	0.0	-45.96	302.78	6.42	-39.54
CCOC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCOC3)=C2C=C1OCC	REAL300013372579	0	50	0.0	-54.42	386.26	6.81	-47.61
CCC1=CC(NCC2(C(=O)[O-])CCOC2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013372581	1	44	0.0	-47.37	350.52	7.01	-40.36
COC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCOC3)=C2C=C1Br	REAL300013372618	0	40	0.0	-56.47	333.91	5.70	-50.77
CC1(C)CCCN(C2=CC=[NH+]C(NCC3(C(=O)[O-])CCOC3)=N2)C1	REAL300013372627	0	50	0.0	-48.97	369.17	8.38	-40.59
CC1=CC2=C(NCC3(C(=O)[O-])CCOC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013372632	0	49	0.0	-53.01	373.18	8.92	-44.09
CC1=CC(C(F)(F)F)=CC(NCC2(C(=O)[O-])CCOC2)=[NH+]1	REAL300013372635	0	36	0.0	-39.93	302.86	6.14	-33.79
COC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CCOC3)=C2C=C1OC	REAL300013372640	0	44	0.0	-54.52	342.56	4.97	-49.55
O=C([O-])C1(CNC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CCOC1	REAL300013372669	0	45	0.0	-54.40	354.00	8.53	-45.87
CC1=CC=C2C(NCC3(C(=O)[O-])CCOC3)=CC(C)=[NH+]C2=C1Cl	REAL300013372694	0	42	0.0	-42.53	338.48	7.45	-35.08
CC1=NC(NCC2(C(=O)[O-])CCOC2)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013372696	0	44	0.0	-42.74	347.51	7.90	-34.84
CC1=[NH+]C(NCC2(C(=O)[O-])CCOC2)=CC(NC2=CC=CC=C2)=N1	REAL300013372696	1	44	0.0	-42.49	349.62	8.16	-34.33
CC1=[NH+]C=CC(NCC2(C(=O)[O-])CCOC2)=C1Br	REAL300013372699	0	33	0.0	-55.26	278.12	4.69	-50.57
CN(C1=CC=[NH+]C(NCC2(C(=O)[O-])CCOC2)=N1)C1CCCCC1	REAL300013372701	0	50	0.0	-45.65	368.89	10.04	-35.61
CC1=CC(N(C)C(C)C)=NC(NCC2(C(=O)[O-])CCOC2)=[NH+]1	REAL300013372702	0	46	0.0	-41.28	348.81	8.66	-32.62
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC2(C(=O)[O-])CCOC2)=[NH+]1	REAL300013372705	0	47	0.0	-51.03	370.87	9.73	-41.30
CC1=CC(N2C=CC=N2)=NC(NCC2(C(=O)[O-])CCOC2)=[NH+]1	REAL300013372706	1	39	0.0	-42.83	317.69	7.89	-34.94
CC1=CC(NCC2(C(=O)[O-])CCOC2)=NC(N(C)C(C)C)=[NH+]1	REAL300013372709	0	46	0.0	-44.95	348.95	8.77	-36.18
CN(C1=[NH+]C=CC(NCC2(C(=O)[O-])CCOC2)=N1)C1CCCCC1	REAL300013372712	0	50	0.0	-54.60	369.64	9.97	-44.63
CC1=CC(NCC2(C(=O)[O-])CCOC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013372714	1	47	0.0	-47.12	370.79	10.73	-36.39
O=C([O-])C1(CNC2=C3C=CNC3=NC(C3CC3)=[NH+]2)CCOC1	REAL300013372757	1	40	0.0	-41.67	317.26	6.98	-34.69
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)CCOC1	REAL300013372758	0	40	0.0	-52.87	330.05	5.52	-47.35
CN(C)C1=CC(NCC2(C(=O)[O-])CCOC2)=[NH+]C(N(C)C)=N1	REAL300013372762	0	45	0.0	-39.50	344.83	8.11	-31.39
CN(C)C1=CC(NCC2(C(=O)[O-])CCOC2)=NC(N(C)C)=[NH+]1	REAL300013372762	1	45	0.0	-43.84	341.00	8.17	-35.67
CC1=C(Cl)C2=[NH+]C=CC(NCC3(C(=O)[O-])CCOC3)=C2C=C1	REAL300013372769	1	39	0.0	-46.03	317.20	6.88	-39.15
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300013372771	0	43	0.0	-50.32	331.22	11.61	-38.71
CC[N@@H+]1CC[C@@H]2OCCN(C3=NC=C(C(=O)[O-])C=C3Cl)[C@@H]2C1	REAL300013372790	0	42	0.0	-52.95	326.41	7.21	-45.74
CC[N@H+]1CC[C@@H]2OCCN(C3=NC=C(C(=O)[O-])C=C3Cl)[C@@H]2C1	REAL300013372790	1	42	0.0	-53.00	324.65	7.16	-45.84
CC[N@@H+]1CC[C@@H]2OCCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)[C@@H]2C1	REAL300013372791	0	45	0.0	-77.57	336.80	8.10	-69.47
CC[N@H+]1CC[C@@H]2OCCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)[C@@H]2C1	REAL300013372791	1	45	0.0	-92.55	328.16	7.97	-84.58
O=C([O-])C1=CC=C[NH+]=C1N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300013372809	0	42	0.0	-59.81	338.35	10.07	-49.74
CN(CC1=CC=C(F)C(C(F)(F)F)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013372817	0	35	0.0	-50.60	309.82	9.75	-40.85
CC1=[NH+]C2=CC=C(F)C=C2C(NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300013372833	0	47	0.0	-42.63	363.54	10.51	-32.12
O=C([O-])C(CC1CCCCC1)NC1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013372838	0	50	0.0	-41.60	382.87	10.69	-30.91
O=C([O-])C(CC1CCCCC1)NC1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013372838	1	50	0.0	-45.51	381.88	10.29	-35.22
O=C([O-])C(CC1CCCCC1)NC1=CC(NCC2CC2)=NC=[NH+]1	REAL300013372848	0	49	0.0	-41.01	375.74	10.42	-30.59
O=C([O-])C(CC1CCCCC1)NC1=CC(NCC2CC2)=[NH+]C=N1	REAL300013372848	1	49	0.0	-45.43	375.50	10.45	-34.98
O=C([O-])C(CC1CCCCC1)NC1=CC(N2CCCC2)=NC=[NH+]1	REAL300013372858	0	49	0.0	-40.50	365.06	10.14	-30.36
O=C([O-])C(CC1CCCCC1)NC1=CC(N2CCCC2)=[NH+]C=N1	REAL300013372858	1	49	0.0	-43.63	365.28	9.71	-33.92
O=C([O-])C(CC1CCCCC1)NC1=CC(N2CCCCC2)=NC=[NH+]1	REAL300013372859	0	52	0.0	-42.11	382.73	10.81	-31.30
O=C([O-])C(CC1CCCCC1)NC1=CC(N2CCCCC2)=[NH+]C=N1	REAL300013372859	1	52	0.0	-45.32	380.37	10.65	-34.67
O=C([O-])C(CC1CCCCC1)NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013372860	0	56	0.0	-45.14	414.39	8.09	-37.05
O=C([O-])C(CC1CCCCC1)NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013372860	1	56	0.0	-46.06	412.07	7.93	-38.13
COC1=CC2=NC(NC(CC3CCCCC3)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013372877	0	53	0.0	-37.52	403.99	9.43	-28.09
O=C([O-])C(CC1CCCCC1)NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12	REAL300013372884	0	47	0.0	-42.82	374.37	10.89	-31.93
O=C([O-])C(CC1CCCCC1)NC1=CC=[NH+]C2=CC=C(Cl)C=C12	REAL300013372896	1	44	0.0	-43.99	352.30	10.44	-33.55
O=C([O-])C(CC1CCCCC1)NC1=CC(N2CCOCC2)=NC=[NH+]1	REAL300013372904	0	50	0.0	-41.46	374.63	8.35	-33.11
O=C([O-])C(CC1CCCCC1)NC1=CC(N2CCOCC2)=[NH+]C=N1	REAL300013372904	1	50	0.0	-44.50	372.30	8.21	-36.29
CC1=CC2=[NH+]C(NC(CC3CCCCC3)C(=O)[O-])=CC(C)=C2C=C1	REAL300013372928	1	50	0.0	-34.98	377.64	11.81	-23.17
O=C([O-])C(CC1CCCCC1)NC1=CC=[NH+]C2=CC(Cl)=CC=C12	REAL300013372948	1	44	0.0	-41.62	352.53	10.39	-31.23
O=C([O-])C(CC1CCCCC1)NC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013372957	1	44	0.0	-41.52	357.09	10.49	-31.03
O=C([O-])C(CC1CCCCC1)NC1=C2SC=CC2=[NH+]C=C1	REAL300013372972	1	41	0.0	-43.29	328.30	8.94	-34.35
CC(C)(C)C1=[NH+]C=CC(NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013372976	1	49	0.0	-41.63	366.48	10.27	-31.36
CC1=[NH+]C(NC(CC2CCCCC2)C(=O)[O-])=C2C=CNC2=N1	REAL300013372977	0	44	0.0	-32.93	340.39	9.64	-23.29
NC1=[NH+]C(NC(CC2CCCCC2)C(=O)[O-])=CC(N2C=CC=N2)=N1	REAL300013372994	1	46	0.0	-45.36	363.43	10.00	-35.36
O=C([O-])C(CC1CCCCC1)NC1=[NH+]C=CC(N2CCOCC2)=N1	REAL300013372996	0	50	0.0	-36.88	374.55	9.19	-27.69
COC1=CC=CC2=C(NC(CC3CCCCC3)C(=O)[O-])C=C(C)[NH+]=C12	REAL300013373000	1	51	0.0	-37.37	385.47	9.87	-27.50
CC(C)C1=[NH+]C(NC(CC2CCCCC2)C(=O)[O-])=NC(N(C)C)=N1	REAL300013373020	1	53	0.0	-29.25	399.69	14.31	-14.94
CC(C)C1=NC(NC(CC2CCCCC2)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013373020	1	53	0.0	-43.01	399.71	14.31	-28.70
O=C([O-])C(CC1CCCCC1)NC1=CC=[NH+]C(N2CCCCC2)=N1	REAL300013373027	0	52	0.0	-40.63	383.51	11.20	-29.43
O=C([O-])C(CC1CCCCC1)NC1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013373038	0	56	0.0	-42.83	413.44	7.26	-35.57
O=C([O-])C(CC1CCCCC1)NC1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013373038	1	56	0.0	-47.45	413.98	7.50	-39.95
CC(C)(C)C1=[NH+]C=CC(NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013373044	1	49	0.0	-41.63	366.48	10.27	-31.36
O=C([O-])C(CC1CCCCC1)NC1=CC=[NH+]C=C1Br	REAL300013373054	1	38	0.0	-47.03	311.58	8.36	-38.67
CN1CCN(C2=CC(NC(CC3CCCCC3)C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013373055	0	53	0.0	-50.24	399.37	8.80	-41.44
CN1CCN(C2=CC(NC(CC3CCCCC3)C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013373055	1	53	0.0	-56.78	397.87	8.60	-48.18
O=C([O-])C(CC1CCCCC1)NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013373075	0	55	0.0	-45.51	425.34	12.77	-32.74
CCCCNC1=CC(NC(CC2CCCCC2)C(=O)[O-])=[NH+]C(N)=N1	REAL300013373088	0	53	0.0	-37.07	402.01	9.83	-27.24
CCCCNC1=CC(NC(CC2CCCCC2)C(=O)[O-])=NC(N)=[NH+]1	REAL300013373088	1	53	0.0	-42.40	402.22	9.78	-32.62
O=C([O-])C(CC1CCCCC1)NC1=CC=[NH+]C=C1Br	REAL300013373094	1	38	0.0	-47.03	311.58	8.36	-38.67
CC(C)NC1=NC(NCCO)=[NH+]C(NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013373099	0	56	0.0	-30.63	429.72	10.66	-19.97
CC(C)NC1=NC(NCCO)=NC(NC(CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013373099	1	56	0.0	-30.07	429.26	10.59	-19.48
CC(C)NC1=[NH+]C(NCCO)=NC(NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013373099	1	56	0.0	-44.24	429.57	10.66	-33.58
CCNC1=[NH+]C(NC(CC2CCCCC2)C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013373111	0	58	0.0	-27.80	430.90	14.89	-12.91
CCNC1=NC(NC(CC2CCCCC2)C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013373111	1	58	0.0	-28.06	432.49	14.97	-13.09
CCNC1=NC(NC(CC2CCCCC2)C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013373111	1	58	0.0	-41.74	429.50	14.59	-27.15
CN(C1=CC=CC=C1)C1=CC(NC(CC2CCCCC2)C(=O)[O-])=[NH+]C=N1	REAL300013373128	1	52	0.0	-42.90	400.70	12.60	-30.30
O=C([O-])C(CC1CCCCC1)NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12	REAL300013373148	1	44	0.0	-43.77	358.34	10.44	-33.33
CC(O)C1CCN(C2=CC(NC(CC3CCCCC3)C(=O)[O-])=[NH+]C=N2)C1	REAL300013373149	0	56	0.0	-44.90	412.61	8.41	-36.49
CC(O)C1CCN(C2=CC(NC(CC3CCCCC3)C(=O)[O-])=NC=[NH+]2)C1	REAL300013373149	1	56	0.0	-48.83	413.48	7.74	-41.09
O=C([O-])C(CC1CCCCC1)NC1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2	REAL300013373152	1	47	0.0	-33.97	362.14	11.85	-22.12
CCCC1=CC2=C(NC(CC3CCCCC3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013373154	0	53	0.0	-42.28	399.93	12.13	-30.15
CCC1=CC2=C(NC(CC3CCCCC3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013373155	0	50	0.0	-42.57	378.70	11.31	-31.26
CC(C)OC1=CC2=C(NC(CC3CCCCC3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013373159	0	54	0.0	-45.02	404.81	10.80	-34.22
O=C([O-])C(CC1CCCCC1)NC1=CC(NC2CC2)=NC=[NH+]1	REAL300013373166	0	46	0.0	-40.56	353.17	9.73	-30.83
O=C([O-])C(CC1CCCCC1)NC1=CC(NC2CC2)=[NH+]C=N1	REAL300013373166	1	46	0.0	-45.53	353.19	9.73	-35.80
O=C([O-])C(CC1CCCCC1)NC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013373257	1	44	0.0	-43.78	356.86	10.55	-33.23
O=C([O-])C(CC1CCCCC1)NC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013373262	1	44	0.0	-37.91	354.47	10.57	-27.34
CCOC1=CC2=[NH+]C=CC(NC(CC3CCCCC3)C(=O)[O-])=C2C=C1OCC	REAL300013373273	0	58	0.0	-44.32	437.94	10.97	-33.35
O=C([O-])C(CC1CCCCC1)NC1=[NH+]C=CC(N2CCCC2)=N1	REAL300013373283	0	49	0.0	-34.03	365.99	10.92	-23.11
O=C([O-])C(CC1CCCCC1)NC1=CC=[NH+]C2=CC(F)=CC=C12	REAL300013373302	0	44	0.0	-41.58	341.98	10.00	-31.58
CC1(C)CCCN(C2=CC=[NH+]C(NC(CC3CCCCC3)C(=O)[O-])=N2)C1	REAL300013373322	0	58	0.0	-34.33	420.14	12.97	-21.36
CC1=CC(C(F)(F)F)=CC(NC(CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013373328	1	44	0.0	-41.74	352.02	10.09	-31.65
COC1=CC2=[NH+]C=CC(NC(CC3CCCCC3)C(=O)[O-])=C2C=C1OC	REAL300013373333	0	52	0.0	-44.43	393.98	9.18	-35.25
O=C([O-])C(CC1CCCCC1)NC1=C2SC=CC2=[NH+]C=C1	REAL300013373348	1	41	0.0	-43.29	328.30	8.94	-34.35
O=C([O-])C(CC1CCCCC1)NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013373361	0	53	0.0	-36.90	404.99	12.72	-24.18
CC1=[NH+]C(NC2=CC=CC=C2)=CC(NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300013373394	1	52	0.0	-44.13	399.33	11.44	-32.69
CC1=NC(NC2=CC=CC=C2)=CC(NC(CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013373394	1	52	0.0	-38.54	401.31	12.27	-26.27
CC1=[NH+]C=CC(NC(CC2CCCCC2)C(=O)[O-])=C1Br	REAL300013373397	0	41	0.0	-44.23	329.53	8.91	-35.32
CN(C1=CC=[NH+]C(NC(CC2CCCCC2)C(=O)[O-])=N1)C1CCCCC1	REAL300013373399	0	58	0.0	-33.76	421.11	14.02	-19.74
CC1=CC(N(C)C(C)C)=NC(NC(CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013373400	0	54	0.0	-32.61	400.96	12.82	-19.79
O=C([O-])C(CC1CCCCC1)NC1=[NH+]C=CC(N2C=CN=C2)=N1	REAL300013373401	1	44	0.0	-41.42	345.28	12.61	-28.81
CC1=CC(N(C)C2=CC=CC=C2)=NC(NC(CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013373404	0	55	0.0	-32.44	421.87	13.93	-18.51
CC1=CC(N2C=CC=N2)=NC(NC(CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013373405	1	47	0.0	-32.54	370.08	12.01	-20.53
CC1=CC(NC(CC2CCCCC2)C(=O)[O-])=NC(N(C)C(C)C)=[NH+]1	REAL300013373408	0	54	0.0	-39.41	400.36	12.81	-26.60
CN(C1=[NH+]C=CC(NC(CC2CCCCC2)C(=O)[O-])=N1)C1CCCCC1	REAL300013373411	0	58	0.0	-42.63	421.29	14.12	-28.51
O=C([O-])C(CC1CCCCC1)NC1=C2C=CNC2=NC(C2CC2)=[NH+]1	REAL300013373448	1	48	0.0	-31.94	369.09	11.19	-20.75
O=C([O-])C(CC1CCCCC1)NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013373449	0	48	0.0	-42.35	381.73	9.68	-32.67
CN(C)C1=CC(NC(CC2CCCCC2)C(=O)[O-])=[NH+]C(N(C)C)=N1	REAL300013373456	0	53	0.0	-35.67	395.87	12.40	-23.27
CN(C)C1=CC(NC(CC2CCCCC2)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013373456	1	53	0.0	-40.30	393.35	12.15	-28.15
CC1=C(Cl)C2=[NH+]C=CC(NC(CC3CCCCC3)C(=O)[O-])=C2C=C1	REAL300013373462	1	47	0.0	-37.62	368.59	11.07	-26.55
CC(C)(C)COC1=CC=C2CN(C3=[NH+]C=CC=C3C(=O)[O-])CCC2=C1	REAL300013373470	0	49	0.0	-40.69	367.34	10.35	-30.34
CN(CC1=NN(C)C=C1Br)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013373478	0	32	0.0	-49.15	290.65	7.12	-42.03
CC1=[NH+]C2=CC=C(F)C=C2C(N[C@@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300013373510	0	47	0.0	-41.78	362.72	10.54	-31.24
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013373515	0	50	0.0	-43.17	382.10	10.69	-32.48
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013373515	1	50	0.0	-45.24	381.63	10.30	-34.94
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(NCC2CC2)=NC=[NH+]1	REAL300013373525	0	49	0.0	-41.04	375.74	10.41	-30.63
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(NCC2CC2)=[NH+]C=N1	REAL300013373525	1	49	0.0	-45.77	375.49	10.44	-35.33
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(N2CCCC2)=NC=[NH+]1	REAL300013373535	0	49	0.0	-40.35	365.88	10.06	-30.29
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(N2CCCC2)=[NH+]C=N1	REAL300013373535	1	49	0.0	-43.67	365.26	9.71	-33.96
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(N2CCCCC2)=NC=[NH+]1	REAL300013373536	0	52	0.0	-42.73	383.53	10.80	-31.93
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(N2CCCCC2)=[NH+]C=N1	REAL300013373536	1	52	0.0	-45.32	380.37	10.65	-34.67
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013373537	0	56	0.0	-45.19	414.38	8.09	-37.10
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013373537	1	56	0.0	-48.98	412.00	7.93	-41.05
COC1=CC2=NC(N[C@@H](CC3CCCCC3)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013373554	0	53	0.0	-37.41	404.23	9.37	-28.04
O=C([O-])[C@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12	REAL300013373561	0	47	0.0	-42.18	373.55	10.90	-31.28
O=C([O-])[C@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC=C(Cl)C=C12	REAL300013373573	1	44	0.0	-44.04	352.27	10.43	-33.61
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(N2CCOCC2)=NC=[NH+]1	REAL300013373581	0	50	0.0	-42.77	373.85	8.35	-34.42
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(N2CCOCC2)=[NH+]C=N1	REAL300013373581	1	50	0.0	-43.81	371.44	8.20	-35.61
CC1=CC2=[NH+]C(N[C@@H](CC3CCCCC3)C(=O)[O-])=CC(C)=C2C=C1	REAL300013373605	1	50	0.0	-34.71	377.59	11.81	-22.90
O=C([O-])[C@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC(Cl)=CC=C12	REAL300013373625	1	44	0.0	-40.97	351.70	10.40	-30.57
O=C([O-])[C@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013373634	1	44	0.0	-40.94	356.26	10.51	-30.43
O=C([O-])[C@H](CC1CCCCC1)NC1=C2SC=CC2=[NH+]C=C1	REAL300013373649	1	41	0.0	-43.89	329.06	8.91	-34.98
CC(C)(C)C1=[NH+]C=CC(N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013373653	1	49	0.0	-42.25	367.25	10.26	-31.99
CC1=[NH+]C(N[C@@H](CC2CCCCC2)C(=O)[O-])=C2C=CNC2=N1	REAL300013373654	0	44	0.0	-32.76	339.84	9.61	-23.15
NC1=[NH+]C(N[C@@H](CC2CCCCC2)C(=O)[O-])=CC(N2C=CC=N2)=N1	REAL300013373671	1	46	0.0	-45.30	363.45	10.01	-35.29
O=C([O-])[C@H](CC1CCCCC1)NC1=[NH+]C=CC(N2CCOCC2)=N1	REAL300013373673	0	50	0.0	-36.99	374.76	9.15	-27.84
COC1=CC=CC2=C(N[C@@H](CC3CCCCC3)C(=O)[O-])C=C(C)[NH+]=C12	REAL300013373677	1	51	0.0	-37.47	385.44	9.88	-27.59
CC(C)C1=[NH+]C(N[C@@H](CC2CCCCC2)C(=O)[O-])=NC(N(C)C)=N1	REAL300013373697	1	53	0.0	-28.62	398.63	14.27	-14.35
CC(C)C1=NC(N[C@@H](CC2CCCCC2)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013373697	1	53	0.0	-43.15	399.39	14.27	-28.88
O=C([O-])[C@H](CC1CCCCC1)NC1=CC=[NH+]C(N2CCCCC2)=N1	REAL300013373704	0	52	0.0	-41.74	383.48	11.20	-30.54
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013373715	0	56	0.0	-41.07	412.68	7.27	-33.80
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013373715	1	56	0.0	-47.03	413.42	7.46	-39.57
CC(C)(C)C1=[NH+]C=CC(N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013373721	1	49	0.0	-42.25	367.25	10.26	-31.99
O=C([O-])[C@H](CC1CCCCC1)NC1=CC=[NH+]C=C1Br	REAL300013373731	1	38	0.0	-46.62	311.34	8.41	-38.21
CN1CCN(C2=CC(N[C@@H](CC3CCCCC3)C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013373732	0	53	0.0	-50.27	399.41	8.80	-41.47
CN1CCN(C2=CC(N[C@@H](CC3CCCCC3)C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013373732	1	53	0.0	-39.78	393.18	7.99	-31.79
O=C([O-])[C@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013373752	0	55	0.0	-44.32	425.39	12.80	-31.52
CCCCNC1=CC(N[C@@H](CC2CCCCC2)C(=O)[O-])=[NH+]C(N)=N1	REAL300013373765	0	53	0.0	-37.23	402.21	9.77	-27.46
CCCCNC1=CC(N[C@@H](CC2CCCCC2)C(=O)[O-])=NC(N)=[NH+]1	REAL300013373765	1	53	0.0	-41.81	401.45	9.78	-32.03
O=C([O-])[C@H](CC1CCCCC1)NC1=CC=[NH+]C=C1Br	REAL300013373771	1	38	0.0	-46.62	311.34	8.41	-38.21
CC(C)NC1=NC(NCCO)=[NH+]C(N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013373776	0	56	0.0	-28.34	429.92	10.60	-17.74
CC(C)NC1=NC(NCCO)=NC(N[C@@H](CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013373776	1	56	0.0	-30.22	429.03	10.65	-19.57
CC(C)NC1=[NH+]C(NCCO)=NC(N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013373776	1	56	0.0	-46.13	429.77	10.60	-35.53
CCNC1=[NH+]C(N[C@@H](CC2CCCCC2)C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013373788	0	58	0.0	-27.83	430.86	14.89	-12.94
CCNC1=NC(N[C@@H](CC2CCCCC2)C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013373788	1	58	0.0	-27.44	428.45	14.52	-12.92
CCNC1=NC(N[C@@H](CC2CCCCC2)C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013373788	1	58	0.0	-42.85	432.93	14.99	-27.86
CN(C1=CC=CC=C1)C1=CC(N[C@@H](CC2CCCCC2)C(=O)[O-])=[NH+]C=N1	REAL300013373805	1	52	0.0	-45.11	400.99	12.57	-32.54
O=C([O-])[C@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12	REAL300013373825	1	44	0.0	-43.46	358.05	10.48	-32.98
CC(O)C1CCN(C2=CC(N[C@@H](CC3CCCCC3)C(=O)[O-])=[NH+]C=N2)C1	REAL300013373826	0	56	0.0	-40.47	412.02	8.14	-32.33
CC(O)C1CCN(C2=CC(N[C@@H](CC3CCCCC3)C(=O)[O-])=NC=[NH+]2)C1	REAL300013373826	1	56	0.0	-48.11	412.73	7.75	-40.36
O=C([O-])[C@H](CC1CCCCC1)NC1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2	REAL300013373829	1	47	0.0	-33.80	361.33	11.87	-21.93
CCCC1=CC2=C(N[C@@H](CC3CCCCC3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013373831	0	53	0.0	-42.76	400.15	12.08	-30.68
CCC1=CC2=C(N[C@@H](CC3CCCCC3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013373832	0	50	0.0	-42.75	378.65	11.30	-31.45
CC(C)OC1=CC2=C(N[C@@H](CC3CCCCC3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013373836	0	54	0.0	-45.06	404.69	10.77	-34.29
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(NC2CC2)=NC=[NH+]1	REAL300013373843	0	46	0.0	-40.50	352.62	9.69	-30.81
O=C([O-])[C@H](CC1CCCCC1)NC1=CC(NC2CC2)=[NH+]C=N1	REAL300013373843	1	46	0.0	-45.77	353.43	9.69	-36.08
O=C([O-])[C@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013373934	1	44	0.0	-43.75	356.83	10.54	-33.21
O=C([O-])[C@H](CC1CCCCC1)NC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013373939	1	44	0.0	-37.93	354.42	10.58	-27.35
CCOC1=CC2=[NH+]C=CC(N[C@@H](CC3CCCCC3)C(=O)[O-])=C2C=C1OCC	REAL300013373950	0	58	0.0	-44.09	437.66	11.01	-33.08
O=C([O-])[C@H](CC1CCCCC1)NC1=[NH+]C=CC(N2CCCC2)=N1	REAL300013373960	0	49	0.0	-34.10	366.80	10.86	-23.24
O=C([O-])[C@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC(F)=CC=C12	REAL300013373979	0	44	0.0	-41.22	341.41	9.97	-31.25
CC1(C)CCCN(C2=CC=[NH+]C(N[C@@H](CC3CCCCC3)C(=O)[O-])=N2)C1	REAL300013373999	0	58	0.0	-35.69	420.77	12.46	-23.23
CC1=CC(C(F)(F)F)=CC(N[C@@H](CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013374005	1	44	0.0	-41.82	352.25	10.12	-31.70
COC1=CC2=[NH+]C=CC(N[C@@H](CC3CCCCC3)C(=O)[O-])=C2C=C1OC	REAL300013374010	0	52	0.0	-44.17	393.41	9.15	-35.02
O=C([O-])[C@H](CC1CCCCC1)NC1=C2SC=CC2=[NH+]C=C1	REAL300013374025	1	41	0.0	-43.89	329.06	8.91	-34.98
O=C([O-])[C@H](CC1CCCCC1)NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013374038	0	53	0.0	-37.11	405.78	12.74	-24.37
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N[C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013374071	1	52	0.0	-39.27	399.65	11.87	-27.40
CC1=NC(NC2=CC=CC=C2)=CC(N[C@@H](CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013374071	1	52	0.0	-38.53	401.22	12.32	-26.21
CC1=[NH+]C=CC(N[C@@H](CC2CCCCC2)C(=O)[O-])=C1Br	REAL300013374074	0	41	0.0	-44.24	329.55	8.91	-35.33
CN(C1=CC=[NH+]C(N[C@@H](CC2CCCCC2)C(=O)[O-])=N1)C1CCCCC1	REAL300013374076	0	58	0.0	-35.23	421.27	14.15	-21.08
CC1=CC(N(C)C(C)C)=NC(N[C@@H](CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013374077	0	54	0.0	-32.49	401.19	12.79	-19.70
O=C([O-])[C@H](CC1CCCCC1)NC1=[NH+]C=CC(N2C=CN=C2)=N1	REAL300013374078	1	44	0.0	-41.34	345.26	12.60	-28.74
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@@H](CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013374081	0	55	0.0	-34.69	422.66	13.96	-20.73
CC1=CC(N2C=CC=N2)=NC(N[C@@H](CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013374082	1	47	0.0	-32.65	370.08	12.00	-20.65
CC1=CC(N[C@@H](CC2CCCCC2)C(=O)[O-])=NC(N(C)C(C)C)=[NH+]1	REAL300013374085	0	54	0.0	-39.86	400.97	12.85	-27.01
CN(C1=[NH+]C=CC(N[C@@H](CC2CCCCC2)C(=O)[O-])=N1)C1CCCCC1	REAL300013374088	0	58	0.0	-42.07	420.48	14.11	-27.96
O=C([O-])[C@H](CC1CCCCC1)NC1=C2C=CNC2=NC(C2CC2)=[NH+]1	REAL300013374125	1	48	0.0	-32.00	369.07	11.19	-20.81
O=C([O-])[C@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013374126	0	48	0.0	-42.29	381.68	9.68	-32.61
CN(C)C1=CC(N[C@@H](CC2CCCCC2)C(=O)[O-])=[NH+]C(N(C)C)=N1	REAL300013374133	0	53	0.0	-35.55	395.54	12.33	-23.22
CN(C)C1=CC(N[C@@H](CC2CCCCC2)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013374133	1	53	0.0	-40.62	394.38	12.17	-28.45
CC1=C(Cl)C2=[NH+]C=CC(N[C@@H](CC3CCCCC3)C(=O)[O-])=C2C=C1	REAL300013374139	1	47	0.0	-37.82	368.81	11.02	-26.80
CC1=[NH+]C2=CC=C(F)C=C2C(N[C@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300013374149	0	47	0.0	-42.65	363.55	10.52	-32.13
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013374154	0	50	0.0	-41.61	382.92	10.69	-30.92
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013374154	1	50	0.0	-46.13	385.02	10.39	-35.74
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(NCC2CC2)=NC=[NH+]1	REAL300013374164	0	49	0.0	-40.80	375.72	10.42	-30.38
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(NCC2CC2)=[NH+]C=N1	REAL300013374164	1	49	0.0	-45.42	375.50	10.45	-34.97
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(N2CCCC2)=NC=[NH+]1	REAL300013374174	0	49	0.0	-42.89	366.42	10.08	-32.81
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(N2CCCC2)=[NH+]C=N1	REAL300013374174	1	49	0.0	-44.79	365.97	9.74	-35.05
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(N2CCCCC2)=NC=[NH+]1	REAL300013374175	0	52	0.0	-40.49	383.62	10.80	-29.69
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(N2CCCCC2)=[NH+]C=N1	REAL300013374175	1	52	0.0	-43.82	381.19	10.64	-33.18
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013374176	0	56	0.0	-42.73	414.96	8.14	-34.59
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013374176	1	56	0.0	-46.37	412.62	7.98	-38.39
COC1=CC2=NC(N[C@H](CC3CCCCC3)C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013374193	0	53	0.0	-37.51	404.03	9.43	-28.08
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12	REAL300013374200	0	47	0.0	-42.40	374.08	10.93	-31.47
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC=C(Cl)C=C12	REAL300013374212	1	44	0.0	-44.35	352.55	10.39	-33.96
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(N2CCOCC2)=NC=[NH+]1	REAL300013374220	0	50	0.0	-41.45	374.69	8.35	-33.10
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(N2CCOCC2)=[NH+]C=N1	REAL300013374220	1	50	0.0	-46.50	372.27	8.20	-38.30
CC1=CC2=[NH+]C(N[C@H](CC3CCCCC3)C(=O)[O-])=CC(C)=C2C=C1	REAL300013374244	1	50	0.0	-34.75	377.61	11.82	-22.93
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC(Cl)=CC=C12	REAL300013374264	1	44	0.0	-41.57	352.50	10.38	-31.19
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC(Br)=CC=C12	REAL300013374273	1	44	0.0	-41.40	357.05	10.48	-30.92
O=C([O-])[C@@H](CC1CCCCC1)NC1=C2SC=CC2=[NH+]C=C1	REAL300013374288	1	41	0.0	-43.57	328.85	8.98	-34.59
CC(C)(C)C1=[NH+]C=CC(N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013374292	1	49	0.0	-42.09	367.03	10.30	-31.79
CC1=[NH+]C(N[C@H](CC2CCCCC2)C(=O)[O-])=C2C=CNC2=N1	REAL300013374293	0	44	0.0	-32.96	340.42	9.65	-23.31
NC1=[NH+]C(N[C@H](CC2CCCCC2)C(=O)[O-])=CC(N2C=CC=N2)=N1	REAL300013374310	1	46	0.0	-44.97	363.26	10.06	-34.91
O=C([O-])[C@@H](CC1CCCCC1)NC1=[NH+]C=CC(N2CCOCC2)=N1	REAL300013374312	0	50	0.0	-36.93	374.77	9.15	-27.78
COC1=CC=CC2=C(N[C@H](CC3CCCCC3)C(=O)[O-])C=C(C)[NH+]=C12	REAL300013374316	1	51	0.0	-37.13	385.20	9.93	-27.20
CC(C)C1=[NH+]C(N[C@H](CC2CCCCC2)C(=O)[O-])=NC(N(C)C)=N1	REAL300013374336	1	53	0.0	-29.13	399.46	14.32	-14.81
CC(C)C1=NC(N[C@H](CC2CCCCC2)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013374336	1	53	0.0	-43.58	400.46	14.18	-29.40
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC=[NH+]C(N2CCCCC2)=N1	REAL300013374343	0	52	0.0	-40.36	383.27	11.25	-29.11
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013374354	0	56	0.0	-41.24	413.24	7.31	-33.93
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013374354	1	56	0.0	-46.88	413.95	7.51	-39.37
CC(C)(C)C1=[NH+]C=CC(N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013374360	1	49	0.0	-42.09	367.03	10.30	-31.79
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC=[NH+]C=C1Br	REAL300013374370	1	38	0.0	-47.04	311.58	8.37	-38.67
CN1CCN(C2=CC(N[C@H](CC3CCCCC3)C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013374371	0	53	0.0	-50.40	399.97	8.85	-41.55
CN1CCN(C2=CC(N[C@H](CC3CCCCC3)C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013374371	1	53	0.0	-43.55	393.27	8.00	-35.55
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12	REAL300013374391	0	55	0.0	-45.51	424.95	12.77	-32.74
CCCCNC1=CC(N[C@H](CC2CCCCC2)C(=O)[O-])=[NH+]C(N)=N1	REAL300013374404	0	53	0.0	-37.04	402.01	9.82	-27.22
CCCCNC1=CC(N[C@H](CC2CCCCC2)C(=O)[O-])=NC(N)=[NH+]1	REAL300013374404	1	53	0.0	-42.11	402.02	9.83	-32.28
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC=[NH+]C=C1Br	REAL300013374410	1	38	0.0	-47.04	311.58	8.37	-38.67
CC(C)NC1=NC(NCCO)=[NH+]C(N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013374415	0	56	0.0	-30.50	429.73	10.66	-19.84
CC(C)NC1=NC(NCCO)=NC(N[C@H](CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013374415	1	56	0.0	-29.12	429.06	10.65	-18.47
CC(C)NC1=[NH+]C(NCCO)=NC(N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013374415	1	56	0.0	-44.73	429.72	10.62	-34.11
CCNC1=[NH+]C(N[C@H](CC2CCCCC2)C(=O)[O-])=NC(NC(C)(C)C)=N1	REAL300013374427	0	58	0.0	-27.79	430.90	14.89	-12.90
CCNC1=NC(N[C@H](CC2CCCCC2)C(=O)[O-])=[NH+]C(NC(C)(C)C)=N1	REAL300013374427	1	58	0.0	-27.17	427.37	14.51	-12.66
CCNC1=NC(N[C@H](CC2CCCCC2)C(=O)[O-])=NC(NC(C)(C)C)=[NH+]1	REAL300013374427	1	58	0.0	-41.35	429.33	14.58	-26.77
CN(C1=CC=CC=C1)C1=CC(N[C@H](CC2CCCCC2)C(=O)[O-])=[NH+]C=N1	REAL300013374444	1	52	0.0	-43.14	400.68	12.65	-30.49
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12	REAL300013374464	1	44	0.0	-43.45	358.03	10.48	-32.97
CC(O)C1CCN(C2=CC(N[C@H](CC3CCCCC3)C(=O)[O-])=[NH+]C=N2)C1	REAL300013374465	0	56	0.0	-41.74	412.65	8.41	-33.33
CC(O)C1CCN(C2=CC(N[C@H](CC3CCCCC3)C(=O)[O-])=NC=[NH+]2)C1	REAL300013374465	1	56	0.0	-48.60	413.54	7.75	-40.85
O=C([O-])[C@@H](CC1CCCCC1)NC1=[NH+]C=NC2=C1C1=C(C=CC=C1)N2	REAL300013374468	1	47	0.0	-34.02	361.92	11.90	-22.12
CCCC1=CC2=C(N[C@H](CC3CCCCC3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013374470	0	53	0.0	-42.25	399.94	12.13	-30.12
CCC1=CC2=C(N[C@H](CC3CCCCC3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013374471	0	50	0.0	-42.58	378.68	11.31	-31.27
CC(C)OC1=CC2=C(N[C@H](CC3CCCCC3)C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013374475	0	54	0.0	-45.58	404.78	10.76	-34.82
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(NC2CC2)=NC=[NH+]1	REAL300013374482	0	46	0.0	-40.71	353.21	9.74	-30.97
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC(NC2CC2)=[NH+]C=N1	REAL300013374482	1	46	0.0	-45.55	353.21	9.74	-35.81
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC=C(Br)C=C12	REAL300013374573	1	44	0.0	-44.10	357.10	10.50	-33.60
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC=[NH+]C2=C(Br)C=CC=C12	REAL300013374578	1	44	0.0	-37.76	354.16	10.62	-27.14
CCOC1=CC2=[NH+]C=CC(N[C@H](CC3CCCCC3)C(=O)[O-])=C2C=C1OCC	REAL300013374589	0	58	0.0	-44.37	437.88	10.97	-33.40
O=C([O-])[C@@H](CC1CCCCC1)NC1=[NH+]C=CC(N2CCCC2)=N1	REAL300013374599	0	49	0.0	-35.35	366.78	10.84	-24.51
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC(F)=CC=C12	REAL300013374618	0	44	0.0	-41.76	342.20	9.95	-31.81
CC1(C)CCCN(C2=CC=[NH+]C(N[C@H](CC3CCCCC3)C(=O)[O-])=N2)C1	REAL300013374638	0	58	0.0	-36.06	421.34	12.53	-23.53
CC1=CC(C(F)(F)F)=CC(N[C@H](CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013374644	1	44	0.0	-42.67	352.82	10.08	-32.59
COC1=CC2=[NH+]C=CC(N[C@H](CC3CCCCC3)C(=O)[O-])=C2C=C1OC	REAL300013374649	0	52	0.0	-44.45	393.99	9.18	-35.27
O=C([O-])[C@@H](CC1CCCCC1)NC1=C2SC=CC2=[NH+]C=C1	REAL300013374664	1	41	0.0	-43.57	328.85	8.98	-34.59
O=C([O-])[C@@H](CC1CCCCC1)NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013374677	0	53	0.0	-35.96	405.56	12.79	-23.17
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N[C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300013374710	1	52	0.0	-38.41	399.50	11.94	-26.47
CC1=NC(NC2=CC=CC=C2)=CC(N[C@H](CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013374710	1	52	0.0	-38.73	401.64	12.24	-26.49
CC1=[NH+]C=CC(N[C@H](CC2CCCCC2)C(=O)[O-])=C1Br	REAL300013374713	0	41	0.0	-44.39	329.53	8.90	-35.49
CN(C1=CC=[NH+]C(N[C@H](CC2CCCCC2)C(=O)[O-])=N1)C1CCCCC1	REAL300013374715	0	58	0.0	-35.11	421.31	14.15	-20.96
CC1=CC(N(C)C(C)C)=NC(N[C@H](CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013374716	0	54	0.0	-32.51	401.19	12.76	-19.75
O=C([O-])[C@@H](CC1CCCCC1)NC1=[NH+]C=CC(N2C=CN=C2)=N1	REAL300013374717	1	44	0.0	-41.77	346.09	12.63	-29.14
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@H](CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013374720	0	55	0.0	-34.19	422.22	13.97	-20.22
CC1=CC(N2C=CC=N2)=NC(N[C@H](CC2CCCCC2)C(=O)[O-])=[NH+]1	REAL300013374721	1	47	0.0	-32.68	369.87	12.05	-20.63
CC1=CC(N[C@H](CC2CCCCC2)C(=O)[O-])=NC(N(C)C(C)C)=[NH+]1	REAL300013374724	0	54	0.0	-39.95	401.20	12.82	-27.13
CN(C1=[NH+]C=CC(N[C@H](CC2CCCCC2)C(=O)[O-])=N1)C1CCCCC1	REAL300013374727	0	58	0.0	-42.30	421.05	14.16	-28.14
O=C([O-])[C@@H](CC1CCCCC1)NC1=C2C=CNC2=NC(C2CC2)=[NH+]1	REAL300013374764	1	48	0.0	-31.95	368.86	11.25	-20.70
O=C([O-])[C@@H](CC1CCCCC1)NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12	REAL300013374765	0	48	0.0	-41.94	381.44	9.72	-32.22
CN(C)C1=CC(N[C@H](CC2CCCCC2)C(=O)[O-])=[NH+]C(N(C)C)=N1	REAL300013374772	0	53	0.0	-35.95	396.64	12.26	-23.69
CN(C)C1=CC(N[C@H](CC2CCCCC2)C(=O)[O-])=NC(N(C)C)=[NH+]1	REAL300013374772	1	53	0.0	-39.91	392.42	12.34	-27.57
CC1=C(Cl)C2=[NH+]C=CC(N[C@H](CC3CCCCC3)C(=O)[O-])=C2C=C1	REAL300013374778	1	47	0.0	-37.80	368.80	11.04	-26.76
O=C([O-])[C@H]1CCCCN1C1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013374781	0	41	0.0	-36.53	321.08	7.92	-28.61
O=C([O-])[C@H]1CCCCN1C1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013374781	1	41	0.0	-47.76	317.37	8.17	-39.59
O=C([O-])[C@H]1CCCCN1C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013374785	0	47	0.0	-34.26	353.56	5.05	-29.21
O=C([O-])[C@H]1CCCCN1C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013374785	1	47	0.0	-46.91	348.27	5.85	-41.06
COC1=CC2=NC(N3CCCC[C@@H]3C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013374795	0	44	0.0	-57.24	339.54	6.68	-50.56
O=C([O-])[C@H]1CCCCN1C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013374799	0	38	0.0	-44.47	310.97	8.57	-35.90
O=C([O-])[C@H]1CCCCN1C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013374838	1	35	0.0	-43.12	293.67	8.16	-34.96
COC1=CC=CC2=C(N3CCCC[C@@H]3C(=O)[O-])C=C(C)[NH+]=C12	REAL300013374861	1	42	0.0	-37.98	322.09	7.56	-30.42
O=C([O-])[C@H]1CCCCN1C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013374872	0	47	0.0	-34.35	354.01	4.51	-29.84
O=C([O-])[C@H]1CCCCN1C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013374872	1	47	0.0	-43.58	349.01	5.17	-38.41
CN1CCN(C2=CC(N3CCCC[C@@H]3C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013374882	0	44	0.0	-39.67	337.24	5.84	-33.83
CN1CCN(C2=CC(N3CCCC[C@@H]3C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013374882	1	44	0.0	-49.16	328.72	5.91	-43.25
O=C([O-])[C@H]1CCCCN1C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013374899	0	46	0.0	-50.05	364.34	10.51	-39.54
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013374910	0	47	0.0	-43.44	362.57	7.66	-35.78
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013374910	1	47	0.0	-40.69	363.71	7.72	-32.97
CC(C)NC1=NC(NCCO)=NC(N2CCCC[C@@H]2C(=O)[O-])=[NH+]1	REAL300013374910	1	47	0.0	-40.55	363.05	7.69	-32.86
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013374917	0	49	0.0	-42.99	366.09	12.05	-30.94
CCNC1=NC(NC(C)(C)C)=NC(N2CCCC[C@@H]2C(=O)[O-])=[NH+]1	REAL300013374917	1	49	0.0	-39.95	364.89	11.94	-28.01
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013374917	1	49	0.0	-37.33	366.30	10.51	-26.82
CC(O)C1CCN(C2=CC(N3CCCC[C@@H]3C(=O)[O-])=[NH+]C=N2)C1	REAL300013374935	0	47	0.0	-36.58	354.27	5.15	-31.43
CC(O)C1CCN(C2=CC(N3CCCC[C@@H]3C(=O)[O-])=NC=[NH+]2)C1	REAL300013374935	1	47	0.0	-48.14	348.96	5.66	-42.48
CC(C)OC1=CC2=C(N3CCCC[C@@H]3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013374939	0	45	0.0	-50.15	343.08	8.47	-41.68
C[NH+](C)CC1=NC(N2CCCC[C@@H]2C(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013375021	1	52	0.0	-50.78	401.88	11.75	-39.03
O=C([O-])[C@H]1CCCCN1C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013375022	1	35	0.0	-47.15	295.13	8.21	-38.94
CCOC1=CC2=[NH+]C=CC(N3CCCC[C@@H]3C(=O)[O-])=C2C=C1OCC	REAL300013375034	0	49	0.0	-46.96	374.56	8.64	-38.32
COC1=CC2=[NH+]C=CC(N3CCCC[C@@H]3C(=O)[O-])=C2C=C1Br	REAL300013375059	0	39	0.0	-47.27	322.20	7.54	-39.73
CC1(C)CCCN(C2=CC=[NH+]C(N3CCCC[C@@H]3C(=O)[O-])=N2)C1	REAL300013375066	0	49	0.0	-58.11	356.81	9.75	-48.36
COC1=CC2=[NH+]C=CC(N3CCCC[C@@H]3C(=O)[O-])=C2C=C1OC	REAL300013375073	0	43	0.0	-46.99	330.85	6.81	-40.18
O=C([O-])[C@H]1CCCCN1C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013375086	0	44	0.0	-47.55	343.25	8.73	-38.82
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300013375103	1	43	0.0	-43.01	333.64	9.82	-33.19
CN(C1=CC=[NH+]C(N2CCCC[C@@H]2C(=O)[O-])=N1)C1CCCCC1	REAL300013375106	0	49	0.0	-49.97	353.23	11.32	-38.65
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCCC[C@@H]2C(=O)[O-])=[NH+]1	REAL300013375109	0	46	0.0	-41.85	361.49	9.64	-32.21
CN(C1=[NH+]C=CC(N2CCCC[C@@H]2C(=O)[O-])=N1)C1CCCCC1	REAL300013375112	0	49	0.0	-52.10	352.53	11.93	-40.17
O=C([O-])[C@H]1CCCCN1C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013375135	0	39	0.0	-44.16	318.35	7.37	-36.79
CC1=C(Cl)C2=[NH+]C=CC(N3CCCC[C@@H]3C(=O)[O-])=C2C=C1	REAL300013375139	1	38	0.0	-38.64	306.86	8.76	-29.88
O=C([O-])C1CCCCN1C1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013375141	0	41	0.0	-34.02	318.33	7.81	-26.21
O=C([O-])C1CCCCN1C1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013375141	1	41	0.0	-47.27	317.32	8.18	-39.09
O=C([O-])C1CCCCN1C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013375145	0	47	0.0	-34.32	353.61	5.05	-29.27
O=C([O-])C1CCCCN1C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013375145	1	47	0.0	-49.39	348.23	5.85	-43.54
COC1=CC2=NC(N3CCCCC3C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013375155	0	44	0.0	-55.88	337.99	6.57	-49.31
O=C([O-])C1CCCCN1C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013375159	0	38	0.0	-43.64	310.80	8.52	-35.12
O=C([O-])C1CCCCN1C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013375198	1	35	0.0	-42.32	293.47	8.12	-34.20
COC1=CC=CC2=C(N3CCCCC3C(=O)[O-])C=C(C)[NH+]=C12	REAL300013375221	1	42	0.0	-38.41	323.51	7.60	-30.81
O=C([O-])C1CCCCN1C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013375232	0	47	0.0	-36.21	351.83	4.22	-31.99
O=C([O-])C1CCCCN1C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013375232	1	47	0.0	-43.40	348.11	5.37	-38.03
CN1CCN(C2=CC(N3CCCCC3C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013375242	0	44	0.0	-35.46	334.57	5.14	-30.32
CN1CCN(C2=CC(N3CCCCC3C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013375242	1	44	0.0	-53.74	333.46	6.52	-47.22
O=C([O-])C1CCCCN1C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013375259	0	46	0.0	-42.64	356.67	10.09	-32.55
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCCCC2C(=O)[O-])=N1	REAL300013375270	0	47	0.0	-43.22	362.61	7.64	-35.58
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCCCC2C(=O)[O-])=N1	REAL300013375270	1	47	0.0	-38.20	365.79	6.59	-31.61
CC(C)NC1=NC(NCCO)=NC(N2CCCCC2C(=O)[O-])=[NH+]1	REAL300013375270	1	47	0.0	-37.81	365.17	6.57	-31.24
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCCCC2C(=O)[O-])=N1	REAL300013375277	0	49	0.0	-40.73	362.24	11.60	-29.13
CCNC1=NC(NC(C)(C)C)=NC(N2CCCCC2C(=O)[O-])=[NH+]1	REAL300013375277	1	49	0.0	-37.26	367.00	10.80	-26.46
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCCCC2C(=O)[O-])=N1	REAL300013375277	1	49	0.0	-36.45	364.21	10.49	-25.96
CC(O)C1CCN(C2=CC(N3CCCCC3C(=O)[O-])=[NH+]C=N2)C1	REAL300013375295	0	47	0.0	-35.63	352.54	5.17	-30.46
CC(O)C1CCN(C2=CC(N3CCCCC3C(=O)[O-])=NC=[NH+]2)C1	REAL300013375295	1	47	0.0	-47.23	344.99	6.02	-41.21
CC(C)OC1=CC2=C(N3CCCCC3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013375299	0	45	0.0	-43.66	336.44	8.08	-35.58
C[NH+](C)CC1=NC(N2CCCCC2C(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013375381	1	52	0.0	-58.03	401.56	11.82	-46.21
O=C([O-])C1CCCCN1C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013375382	1	35	0.0	-41.77	288.36	7.82	-33.95
CCOC1=CC2=[NH+]C=CC(N3CCCCC3C(=O)[O-])=C2C=C1OCC	REAL300013375394	0	49	0.0	-42.20	369.14	8.29	-33.91
COC1=CC2=[NH+]C=CC(N3CCCCC3C(=O)[O-])=C2C=C1Br	REAL300013375419	0	39	0.0	-41.58	316.85	7.19	-34.39
CC1(C)CCCN(C2=CC=[NH+]C(N3CCCCC3C(=O)[O-])=N2)C1	REAL300013375426	0	49	0.0	-51.26	351.64	10.11	-41.15
COC1=CC2=[NH+]C=CC(N3CCCCC3C(=O)[O-])=C2C=C1OC	REAL300013375433	0	43	0.0	-42.55	325.41	6.44	-36.11
O=C([O-])C1CCCCN1C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013375446	0	44	0.0	-55.79	337.89	9.89	-45.90
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCCCC2C(=O)[O-])=N1	REAL300013375463	1	43	0.0	-46.48	334.78	9.34	-37.14
CN(C1=CC=[NH+]C(N2CCCCC2C(=O)[O-])=N1)C1CCCCC1	REAL300013375466	0	49	0.0	-47.22	353.26	11.11	-36.11
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCCCC2C(=O)[O-])=[NH+]1	REAL300013375469	0	46	0.0	-49.69	356.39	11.11	-38.58
CN(C1=[NH+]C=CC(N2CCCCC2C(=O)[O-])=N1)C1CCCCC1	REAL300013375472	0	49	0.0	-49.25	357.12	11.28	-37.97
O=C([O-])C1CCCCN1C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013375495	0	39	0.0	-43.24	318.12	7.32	-35.92
CC1=C(Cl)C2=[NH+]C=CC(N3CCCCC3C(=O)[O-])=C2C=C1	REAL300013375499	1	38	0.0	-36.37	300.11	8.36	-28.01
O=C([O-])C1CCCCN1C1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013375501	0	41	0.0	-34.02	318.33	7.81	-26.21
O=C([O-])C1CCCCN1C1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013375501	1	41	0.0	-47.27	317.32	8.18	-39.09
O=C([O-])C1CCCCN1C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013375505	0	47	0.0	-34.32	353.61	5.05	-29.27
O=C([O-])C1CCCCN1C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013375505	1	47	0.0	-49.39	348.23	5.85	-43.54
COC1=CC2=NC(N3CCCCC3C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013375515	0	44	0.0	-55.88	337.99	6.57	-49.31
O=C([O-])C1CCCCN1C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013375519	0	38	0.0	-43.64	310.80	8.52	-35.12
O=C([O-])C1CCCCN1C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013375558	1	35	0.0	-42.32	293.47	8.12	-34.20
COC1=CC=CC2=C(N3CCCCC3C(=O)[O-])C=C(C)[NH+]=C12	REAL300013375581	1	42	0.0	-38.41	323.51	7.60	-30.81
O=C([O-])C1CCCCN1C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013375592	0	47	0.0	-36.21	351.83	4.22	-31.99
O=C([O-])C1CCCCN1C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013375592	1	47	0.0	-43.40	348.11	5.37	-38.03
CN1CCN(C2=CC(N3CCCCC3C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013375602	0	44	0.0	-35.46	334.57	5.14	-30.32
CN1CCN(C2=CC(N3CCCCC3C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013375602	1	44	0.0	-53.74	333.46	6.52	-47.22
O=C([O-])C1CCCCN1C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013375619	0	46	0.0	-42.64	356.67	10.09	-32.55
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCCCC2C(=O)[O-])=N1	REAL300013375630	0	47	0.0	-43.22	362.61	7.64	-35.58
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCCCC2C(=O)[O-])=N1	REAL300013375630	1	47	0.0	-38.20	365.79	6.59	-31.61
CC(C)NC1=NC(NCCO)=NC(N2CCCCC2C(=O)[O-])=[NH+]1	REAL300013375630	1	47	0.0	-37.81	365.17	6.57	-31.24
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCCCC2C(=O)[O-])=N1	REAL300013375637	0	49	0.0	-40.73	362.24	11.60	-29.13
CCNC1=NC(NC(C)(C)C)=NC(N2CCCCC2C(=O)[O-])=[NH+]1	REAL300013375637	1	49	0.0	-37.26	367.00	10.80	-26.46
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCCCC2C(=O)[O-])=N1	REAL300013375637	1	49	0.0	-36.45	364.21	10.49	-25.96
CC(O)C1CCN(C2=CC(N3CCCCC3C(=O)[O-])=[NH+]C=N2)C1	REAL300013375655	0	47	0.0	-35.63	352.54	5.17	-30.46
CC(O)C1CCN(C2=CC(N3CCCCC3C(=O)[O-])=NC=[NH+]2)C1	REAL300013375655	1	47	0.0	-47.23	344.99	6.02	-41.21
CC(C)OC1=CC2=C(N3CCCCC3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013375659	0	45	0.0	-43.66	336.44	8.08	-35.58
C[NH+](C)CC1=NC(N2CCCCC2C(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013375741	1	52	0.0	-58.03	401.56	11.82	-46.21
O=C([O-])C1CCCCN1C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013375742	1	35	0.0	-41.77	288.36	7.82	-33.95
CCOC1=CC2=[NH+]C=CC(N3CCCCC3C(=O)[O-])=C2C=C1OCC	REAL300013375754	0	49	0.0	-42.20	369.14	8.29	-33.91
COC1=CC2=[NH+]C=CC(N3CCCCC3C(=O)[O-])=C2C=C1Br	REAL300013375779	0	39	0.0	-41.58	316.85	7.19	-34.39
CC1(C)CCCN(C2=CC=[NH+]C(N3CCCCC3C(=O)[O-])=N2)C1	REAL300013375786	0	49	0.0	-51.26	351.64	10.11	-41.15
COC1=CC2=[NH+]C=CC(N3CCCCC3C(=O)[O-])=C2C=C1OC	REAL300013375793	0	43	0.0	-42.55	325.41	6.44	-36.11
O=C([O-])C1CCCCN1C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013375806	0	44	0.0	-55.79	337.89	9.89	-45.90
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCCCC2C(=O)[O-])=N1	REAL300013375823	1	43	0.0	-46.48	334.78	9.34	-37.14
CN(C1=CC=[NH+]C(N2CCCCC2C(=O)[O-])=N1)C1CCCCC1	REAL300013375826	0	49	0.0	-47.22	353.26	11.11	-36.11
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCCCC2C(=O)[O-])=[NH+]1	REAL300013375829	0	46	0.0	-49.69	356.39	11.11	-38.58
CN(C1=[NH+]C=CC(N2CCCCC2C(=O)[O-])=N1)C1CCCCC1	REAL300013375832	0	49	0.0	-49.25	357.12	11.28	-37.97
O=C([O-])C1CCCCN1C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013375855	0	39	0.0	-43.24	318.12	7.32	-35.92
CC1=C(Cl)C2=[NH+]C=CC(N3CCCCC3C(=O)[O-])=C2C=C1	REAL300013375859	1	38	0.0	-36.37	300.11	8.36	-28.01
O=C([O-])[C@@H]1CCCCN1C1=CC(N2CCSCC2)=NC=[NH+]1	REAL300013375861	0	41	0.0	-31.78	318.31	7.81	-23.97
O=C([O-])[C@@H]1CCCCN1C1=CC(N2CCSCC2)=[NH+]C=N1	REAL300013375861	1	41	0.0	-46.60	317.73	7.39	-39.21
O=C([O-])[C@@H]1CCCCN1C1=CC(N2CCCC(CO)C2)=NC=[NH+]1	REAL300013375865	0	47	0.0	-34.26	353.59	5.05	-29.21
O=C([O-])[C@@H]1CCCCN1C1=CC(N2CCCC(CO)C2)=[NH+]C=N1	REAL300013375865	1	47	0.0	-48.03	346.69	5.84	-42.19
COC1=CC2=NC(N3CCCC[C@H]3C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013375875	0	44	0.0	-57.31	339.53	6.70	-50.61
O=C([O-])[C@@H]1CCCCN1C1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C21	REAL300013375879	0	38	0.0	-40.23	305.64	8.22	-32.01
O=C([O-])[C@@H]1CCCCN1C1=CC=[NH+]C2=CC(Br)=CC=C21	REAL300013375918	1	35	0.0	-39.27	288.36	7.82	-31.45
COC1=CC=CC2=C(N3CCCC[C@H]3C(=O)[O-])C=C(C)[NH+]=C12	REAL300013375941	1	42	0.0	-36.96	316.73	7.21	-29.75
O=C([O-])[C@@H]1CCCCN1C1=CC(N2CCCCC2CO)=NC=[NH+]1	REAL300013375952	0	47	0.0	-35.72	350.37	4.14	-31.58
O=C([O-])[C@@H]1CCCCN1C1=CC(N2CCCCC2CO)=[NH+]C=N1	REAL300013375952	1	47	0.0	-42.10	349.40	4.39	-37.71
CN1CCN(C2=CC(N3CCCC[C@H]3C(=O)[O-])=[NH+]C=N2)CC1=O	REAL300013375962	0	44	0.0	-34.94	333.71	5.37	-29.57
CN1CCN(C2=CC(N3CCCC[C@H]3C(=O)[O-])=NC=[NH+]2)CC1=O	REAL300013375962	1	44	0.0	-44.41	329.91	5.14	-39.27
O=C([O-])[C@@H]1CCCCN1C1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C21	REAL300013375979	0	46	0.0	-42.76	356.69	10.08	-32.68
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCCC[C@H]2C(=O)[O-])=N1	REAL300013375990	0	47	0.0	-45.30	362.55	7.64	-37.66
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCCC[C@H]2C(=O)[O-])=N1	REAL300013375990	1	47	0.0	-42.25	363.69	7.72	-34.53
CC(C)NC1=NC(NCCO)=NC(N2CCCC[C@H]2C(=O)[O-])=[NH+]1	REAL300013375990	1	47	0.0	-43.63	364.58	7.81	-35.82
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCCC[C@H]2C(=O)[O-])=N1	REAL300013375997	0	49	0.0	-41.81	364.27	11.91	-29.90
CCNC1=NC(NC(C)(C)C)=NC(N2CCCC[C@H]2C(=O)[O-])=[NH+]1	REAL300013375997	1	49	0.0	-37.27	366.97	10.82	-26.45
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCCC[C@H]2C(=O)[O-])=N1	REAL300013375997	1	49	0.0	-40.00	368.03	12.13	-27.87
CC(O)C1CCN(C2=CC(N3CCCC[C@H]3C(=O)[O-])=[NH+]C=N2)C1	REAL300013376015	0	47	0.0	-32.32	351.82	4.44	-27.88
CC(O)C1CCN(C2=CC(N3CCCC[C@H]3C(=O)[O-])=NC=[NH+]2)C1	REAL300013376015	1	47	0.0	-44.87	352.30	4.85	-40.02
CC(C)OC1=CC2=C(N3CCCC[C@H]3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013376019	0	45	0.0	-48.71	341.36	8.37	-40.34
C[NH+](C)CC1=NC(N2CCCC[C@H]2C(=O)[O-])=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013376101	1	52	0.0	-55.80	407.85	12.56	-43.24
O=C([O-])[C@@H]1CCCCN1C1=CC=[NH+]C2=CC=C(Br)C=C21	REAL300013376102	1	35	0.0	-45.90	293.51	8.12	-37.78
CCOC1=CC2=[NH+]C=CC(N3CCCC[C@H]3C(=O)[O-])=C2C=C1OCC	REAL300013376114	0	49	0.0	-46.17	374.38	8.60	-37.57
COC1=CC2=[NH+]C=CC(N3CCCC[C@H]3C(=O)[O-])=C2C=C1Br	REAL300013376139	0	39	0.0	-47.22	322.09	7.53	-39.69
CC1(C)CCCN(C2=CC=[NH+]C(N3CCCC[C@H]3C(=O)[O-])=N2)C1	REAL300013376146	0	49	0.0	-58.08	356.86	9.75	-48.33
COC1=CC2=[NH+]C=CC(N3CCCC[C@H]3C(=O)[O-])=C2C=C1OC	REAL300013376153	0	43	0.0	-42.31	325.33	6.44	-35.87
O=C([O-])[C@@H]1CCCCN1C1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1	REAL300013376166	0	44	0.0	-51.25	335.48	9.75	-41.50
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCCC[C@H]2C(=O)[O-])=N1	REAL300013376183	1	43	0.0	-41.55	335.53	9.00	-32.55
CN(C1=CC=[NH+]C(N2CCCC[C@H]2C(=O)[O-])=N1)C1CCCCC1	REAL300013376186	0	49	0.0	-45.62	356.97	10.15	-35.47
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCCC[C@H]2C(=O)[O-])=[NH+]1	REAL300013376189	0	46	0.0	-44.18	358.35	9.94	-34.24
CN(C1=[NH+]C=CC(N2CCCC[C@H]2C(=O)[O-])=N1)C1CCCCC1	REAL300013376192	0	49	0.0	-52.18	353.45	11.98	-40.20
O=C([O-])[C@@H]1CCCCN1C1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C21	REAL300013376215	0	39	0.0	-39.71	313.01	7.01	-32.70
CC1=C(Cl)C2=[NH+]C=CC(N3CCCC[C@H]3C(=O)[O-])=C2C=C1	REAL300013376219	1	38	0.0	-38.31	305.42	8.70	-29.61
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCCC(C)C2C(=O)[O-])=C1	REAL300013376221	0	41	0.0	-44.04	314.27	8.97	-35.07
CC1CCCN(C2=CC(N3CCSCC3)=NC=[NH+]2)C1C(=O)[O-]	REAL300013376225	0	44	0.0	-32.75	335.96	8.17	-24.58
CC1CCCN(C2=CC(N3CCSCC3)=[NH+]C=N2)C1C(=O)[O-]	REAL300013376225	1	44	0.0	-44.97	331.83	8.64	-36.33
CC1CCCN(C2=CC(N3CCCCC3)=NC=[NH+]2)C1C(=O)[O-]	REAL300013376235	0	46	0.0	-32.39	334.70	8.51	-23.88
CC1CCCN(C2=CC(N3CCCCC3)=[NH+]C=N2)C1C(=O)[O-]	REAL300013376235	1	46	0.0	-40.69	329.74	9.00	-31.69
CC1CCCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1C(=O)[O-]	REAL300013376236	0	50	0.0	-33.04	368.20	5.58	-27.46
CC1CCCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1C(=O)[O-]	REAL300013376236	1	50	0.0	-49.28	365.92	6.35	-42.93
COC1=CC2=NC(N3CCCC(C)C3C(=O)[O-])=[NH+]C(N)=C2C=C1OC	REAL300013376249	0	47	0.0	-55.01	354.05	7.03	-47.98
CC1CCCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C1C(=O)[O-]	REAL300013376253	1	41	0.0	-43.27	325.07	9.25	-34.02
CC1CCCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)C1C(=O)[O-]	REAL300013376260	1	38	0.0	-39.29	297.89	8.04	-31.25
CC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1C(=O)[O-]	REAL300013376265	0	44	0.0	-33.04	327.71	5.84	-27.20
CC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1C(=O)[O-]	REAL300013376265	1	44	0.0	-45.75	320.52	6.91	-38.84
CC1CCCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)C1C(=O)[O-]	REAL300013376294	1	38	0.0	-41.78	302.84	8.76	-33.02
CC1CCCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1C(=O)[O-]	REAL300013376301	1	38	0.0	-41.93	307.40	8.86	-33.07
CC1CCCN(C2=CC(N3C=CC=N3)=NC(N)=[NH+]2)C1C(=O)[O-]	REAL300013376327	1	40	0.0	-34.51	315.30	7.25	-27.26
CC1CCCN(C2=[NH+]C=CC(N3CCOCC3)=N2)C1C(=O)[O-]	REAL300013376328	0	44	0.0	-53.20	321.12	7.06	-46.14
COC1=CC=CC2=C(N3CCCC(C)C3C(=O)[O-])C=C(C)[NH+]=C12	REAL300013376331	1	45	0.0	-37.60	336.21	8.32	-29.28
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCCC(C)C2C(=O)[O-])=N1	REAL300013376338	1	47	0.0	-41.99	349.34	11.65	-30.34
CC(C)C1=NC(N(C)C)=NC(N2CCCC(C)C2C(=O)[O-])=[NH+]1	REAL300013376338	1	47	0.0	-39.29	345.72	12.18	-27.11
CC1CCCN(C2=CC=[NH+]C(N3CCCCC3)=N2)C1C(=O)[O-]	REAL300013376344	0	46	0.0	-51.41	330.81	9.88	-41.53
CC1CCCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C1C(=O)[O-]	REAL300013376354	0	50	0.0	-34.76	363.92	5.75	-29.01
CC1CCCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C1C(=O)[O-]	REAL300013376354	1	50	0.0	-42.56	364.17	5.84	-36.72
CC1CCCN(C2=CC(N3CCN(C)C(=O)C3)=NC=[NH+]2)C1C(=O)[O-]	REAL300013376366	0	47	0.0	-39.14	353.59	6.28	-32.86
CC1CCCN(C2=CC(N3CCN(C)C(=O)C3)=[NH+]C=N2)C1C(=O)[O-]	REAL300013376366	1	47	0.0	-52.60	345.38	7.31	-45.29
CC1CCCN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C1C(=O)[O-]	REAL300013376383	0	49	0.0	-39.87	370.91	10.41	-29.46
CCCCNC1=CC(N2CCCC(C)C2C(=O)[O-])=NC(N)=[NH+]1	REAL300013376390	0	47	0.0	-43.88	352.19	8.14	-35.74
CCCCNC1=CC(N2CCCC(C)C2C(=O)[O-])=[NH+]C(N)=N1	REAL300013376390	1	47	0.0	-32.84	353.53	7.44	-25.40
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCCC(C)C2C(=O)[O-])=N1	REAL300013376396	0	50	0.0	-42.74	378.65	8.11	-34.63
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCCC(C)C2C(=O)[O-])=N1	REAL300013376396	1	50	0.0	-42.86	377.17	8.53	-34.33
CC(C)NC1=NC(NCCO)=NC(N2CCCC(C)C2C(=O)[O-])=[NH+]1	REAL300013376396	1	50	0.0	-43.13	376.49	8.51	-34.62
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCCC(C)C2C(=O)[O-])=N1	REAL300013376405	0	52	0.0	-40.00	378.35	12.04	-27.96
CCNC1=NC(NC(C)(C)C)=NC(N2CCCC(C)C2C(=O)[O-])=[NH+]1	REAL300013376405	1	52	0.0	-40.24	378.33	12.76	-27.48
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCCC(C)C2C(=O)[O-])=N1	REAL300013376405	1	52	0.0	-39.38	379.95	12.81	-26.57
CC(O)C1CCN(C2=CC(N3CCCC(C)C3C(=O)[O-])=[NH+]C=N2)C1	REAL300013376428	0	50	0.0	-33.66	367.72	4.73	-28.93
CC(O)C1CCN(C2=CC(N3CCCC(C)C3C(=O)[O-])=NC=[NH+]2)C1	REAL300013376428	1	50	0.0	-44.79	359.22	6.66	-38.13
CC1CCCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C1C(=O)[O-]	REAL300013376430	1	41	0.0	-30.84	310.88	9.28	-21.56
CCCC1=CC2=C(N3CCCC(C)C3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013376432	0	47	0.0	-41.28	349.27	9.95	-31.33
CC(C)OC1=CC2=C(N3CCCC(C)C3C(=O)[O-])C=C[NH+]=C2C=C1	REAL300013376434	0	48	0.0	-40.60	350.37	8.40	-32.20
CC1CCCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1C(=O)[O-]	REAL300013376527	1	38	0.0	-39.02	302.44	8.15	-30.87
CCOC1=CC2=[NH+]C=CC(N3CCCC(C)C3C(=O)[O-])=C2C=C1OCC	REAL300013376541	0	52	0.0	-42.91	388.13	8.84	-34.07
COC1=CC2=[NH+]C=CC(N3CCCC(C)C3C(=O)[O-])=C2C=C1Br	REAL300013376571	0	42	0.0	-38.97	330.92	7.52	-31.45
CC1CCCN(C2=[NH+]C=CC(N3CCCC(C)(C)C3)=N2)C1C(=O)[O-]	REAL300013376578	0	52	0.0	-50.87	369.37	10.61	-40.26
CC1=CC(C(F)(F)F)=CC(N2CCCC(C)C2C(=O)[O-])=[NH+]1	REAL300013376583	0	38	0.0	-34.98	303.97	7.81	-27.17
COC1=CC2=[NH+]C=CC(N3CCCC(C)C3C(=O)[O-])=C2C=C1OC	REAL300013376587	0	46	0.0	-42.58	342.91	6.95	-35.63
CC1CCCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1C(=O)[O-]	REAL300013376605	0	47	0.0	-55.61	355.57	10.39	-45.22
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCCC(C)C2C(=O)[O-])=N1	REAL300013376630	1	46	0.0	-44.30	349.34	9.76	-34.54
CC1=[NH+]C=CC(N2CCCC(C)C2C(=O)[O-])=C1Br	REAL300013376632	0	35	0.0	-44.30	282.85	6.98	-37.32
CC1CCCN(C2=[NH+]C=CC(N(C)C3CCCCC3)=N2)C1C(=O)[O-]	REAL300013376634	0	52	0.0	-43.46	371.23	10.75	-32.71
CC1=CC(N(C)C(C)C)=NC(N2CCCC(C)C2C(=O)[O-])=[NH+]1	REAL300013376635	0	48	0.0	-43.70	349.63	10.32	-33.38
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCCC(C)C2C(=O)[O-])=[NH+]1	REAL300013376638	0	49	0.0	-44.43	372.69	10.75	-33.68
CC1=CC(N2CCCC(C)C2C(=O)[O-])=NC(N(C)C(C)C)=[NH+]1	REAL300013376642	0	48	0.0	-46.07	349.46	11.12	-34.95
CC1CCCN(C2=CC=[NH+]C(N(C)C3CCCCC3)=N2)C1C(=O)[O-]	REAL300013376645	0	52	0.0	-50.97	369.44	12.43	-38.54
CC1CCCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)C1C(=O)[O-]	REAL300013376673	1	42	0.0	-34.97	318.85	8.65	-26.32
CC1CCCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1C(=O)[O-]	REAL300013376674	0	42	0.0	-42.80	332.04	8.07	-34.73
CC1CCCN(C2=CC(N(C)C)=[NH+]C(N(C)C)=N2)C1C(=O)[O-]	REAL300013376678	1	47	0.0	-43.83	341.70	10.48	-33.35
CC1CCCN(C2=CC(N(C)C)=NC(N(C)C)=[NH+]2)C1C(=O)[O-]	REAL300013376678	1	47	0.0	-31.39	348.14	9.74	-21.65
CC1=C(Cl)C2=[NH+]C=CC(N3CCCC(C)C3C(=O)[O-])=C2C=C1	REAL300013376683	1	41	0.0	-35.77	313.03	9.05	-26.72
C[N@@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300013376693	0	41	0.0	-82.93	326.58	8.49	-74.44
C[N@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300013376693	1	41	0.0	-80.06	334.24	9.26	-70.80
C[N@@H+]1CC[C@@H](NC2=NC=C(C(=O)[O-])C=C2Cl)[C@@H]1C1=CC=C(F)C=C1	REAL300013376694	1	41	0.0	-72.66	342.32	9.44	-63.22
C[N@H+]1CC[C@@H](NC2=NC=C(C(=O)[O-])C=C2Cl)[C@@H]1C1=CC=C(F)C=C1	REAL300013376694	1	41	0.0	-72.80	350.66	10.18	-62.62
C[N@@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300013376695	0	41	0.0	-82.93	326.58	8.49	-74.44
C[N@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300013376695	1	41	0.0	-80.06	334.24	9.26	-70.80
C[N@@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300013376696	0	41	0.0	-82.93	326.58	8.49	-74.44
C[N@H+]1CC[C@@H](NC2=CC=CC(C(=O)[O-])=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300013376696	1	41	0.0	-80.06	334.24	9.26	-70.80
C[N@@H+]1CC[C@@H](NC2=C3C=C(C(=O)[O-])N=C3NC=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300013376697	0	44	0.0	-107.90	355.62	9.78	-98.12
C[N@H+]1CC[C@@H](NC2=C3C=C(C(=O)[O-])N=C3NC=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300013376697	1	44	0.0	-105.07	363.35	10.55	-94.52
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC=C(Br)C(Cl)=C2C1	REAL300013376716	0	33	0.0	-37.91	289.40	9.04	-28.87
CN(CC1=CN(C2=CC=CC=C2)N=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013376725	0	39	0.0	-58.50	324.88	9.87	-48.63
CN(CC1=NC2=C(CCCC2)N1C)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013376733	0	42	0.0	-47.98	329.19	9.40	-38.58
C[NH+]1CCC(NC(=O)CNC2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013376748	0	41	0.0	-73.28	344.82	5.65	-67.63
C[NH+]1CCC(NC(=O)CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013376749	0	44	0.0	-110.96	357.99	5.98	-104.98
O=C([O-])C1=CN=C(NC2CC3CCC(C2)[NH+]3C2CC2)C(Cl)=C1	REAL300013376769	0	42	0.0	-66.61	323.25	10.41	-56.20
O=C([O-])C1=CC2=C(NC3CC4CCC(C3)[NH+]4C3CC3)N=CNC2=N1	REAL300013376770	0	45	0.0	-97.85	336.47	10.76	-87.09
O=C([O-])C1=CC=C[NH+]=C1N1CCC(S(=O)(=O)C2CCCCC2)CC1	REAL300013376790	0	48	0.0	-66.63	370.19	7.77	-58.86
CC1=CC(CN(C)C2=[NH+]C=CC=C2C(=O)[O-])=CC=C1Br	REAL300013376809	0	35	0.0	-51.91	305.00	9.88	-42.03
CC1=C[NH+]=CC=C1N1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013376824	0	40	0.0	-65.55	338.34	7.18	-58.37
CC1=C[NH+]=CC=C1N1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013376825	0	43	0.0	-99.14	345.62	8.56	-90.58
CC1=CC(Cl)=CC2=C1CN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013376835	0	36	0.0	-39.23	290.01	9.18	-30.05
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300013376845	0	40	0.0	-54.29	333.50	9.95	-44.34
CC1(C)CN(C2=[NH+]C=CC=C2C(=O)[O-])CCN1S(C)(=O)=O	REAL300013376859	0	40	0.0	-46.07	310.96	4.81	-41.26
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC=C(Cl)C(Br)=C2C1	REAL300013376865	0	33	0.0	-37.89	288.88	9.03	-28.86
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(CC1)CC1=CC=CC=C1NC2=O	REAL300013376887	0	44	0.0	-42.66	338.20	8.58	-34.08
O=C([O-])C1=CC=C[NH+]=C1N1CCC(S(=O)(=O)NCC2=CC=CC=C2)CC1	REAL300013376893	0	47	0.0	-65.43	388.89	7.05	-58.38
O=C([O-])C1=CC=C[NH+]=C1N1CCC2CC(C3=CC=C(F)C=C3)C2C1	REAL300013376903	0	43	0.0	-54.27	333.87	11.45	-42.82
C=CCCC1(C(=O)OC)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013376942	0	45	0.0	-43.68	345.57	9.93	-33.75
O=C([O-])C1=CC=C[NH+]=C1N1CCC(S(=O)(=O)NCC2CC2)C1	REAL300013376952	0	41	0.0	-68.29	340.43	4.74	-63.55
CCCC1=[NH+]C=CN1CCCNC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013376982	1	41	0.0	-63.49	349.95	9.49	-54.00
CCCC1=[NH+]C=CN1CCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013376983	1	44	0.0	-97.43	363.13	9.82	-87.61
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=NC(C(F)(F)F)=CN2)CC1	REAL300013376996	0	39	0.0	-51.16	329.79	8.22	-42.94
O=C([O-])C1=CC=CC(N2CC34CCCC3(C2)C[NH+](CC2=CC=CC=C2)C4)=N1	REAL300013377035	0	52	0.0	-77.96	389.64	11.29	-66.67
O=C([O-])C1=CC=CN=C1N1CC23CCCC2(C1)C[NH+](CC1=CC=CC=C1)C3	REAL300013377036	0	52	0.0	-52.33	387.59	12.00	-40.33
O=C([O-])C1=CN=C(N2CC34CCCC3(C2)C[NH+](CC2=CC=CC=C2)C4)C(Cl)=C1	REAL300013377037	0	52	0.0	-69.49	400.16	11.78	-57.71
O=C([O-])C1=CC=CC(N2CC34CCCC3(C2)C[NH+](CC2=CC=CC=C2)C4)=N1	REAL300013377038	0	52	0.0	-77.96	389.64	11.29	-66.67
O=C([O-])C1=CC=CC(N2CC34CCCC3(C2)C[NH+](CC2=CC=CC=C2)C4)=N1	REAL300013377039	0	52	0.0	-77.96	389.64	11.29	-66.67
C[NH+]1CC23CCCC2(CN(C2=NC=C(C(=O)[O-])C=C2Cl)C3)C1	REAL300013377090	0	42	0.0	-69.00	323.43	7.98	-61.02
C[NH+]1CC23CCCC2(CN(C2=C4C=C(C(=O)[O-])N=C4NC=N2)C3)C1	REAL300013377091	0	45	0.0	-102.23	337.89	9.49	-92.74
O=C([O-])C1=CC=CC(NCC(C2=CSC=C2)[NH+]2CCCC2)=N1	REAL300013377110	0	41	0.0	-67.62	332.93	9.28	-58.34
O=C([O-])C1=CC=CN=C1NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300013377111	0	41	0.0	-40.46	322.58	9.00	-31.46
O=C([O-])C1=CN=C(NCC(C2=CSC=C2)[NH+]2CCCC2)C(Cl)=C1	REAL300013377112	0	41	0.0	-61.90	341.91	9.31	-52.59
O=C([O-])C1=CC=CC(NCC(C2=CSC=C2)[NH+]2CCCC2)=N1	REAL300013377113	0	41	0.0	-67.62	332.93	9.28	-58.34
O=C([O-])C1=CC=CC(NCC(C2=CSC=C2)[NH+]2CCCC2)=N1	REAL300013377114	0	41	0.0	-67.62	332.93	9.28	-58.34
O=C([O-])C1=CC2=C(NCC(C3=CSC=C3)[NH+]3CCCC3)N=CNC2=N1	REAL300013377115	0	44	0.0	-92.50	355.09	9.64	-82.86
CN(CC1=C(Br)SC=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013377135	0	29	0.0	-48.85	271.56	8.18	-40.67
CC(C)(CC1=CC=C(CNC2=CC=[NH+]C3=CC=CC=C23)C=C1)C(=O)[O-]	REAL300013377176	0	47	0.0	-66.56	369.55	10.97	-55.59
CC1=[NH+]C2=CC=C(F)C=C2C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C1	REAL300013377183	0	50	0.0	-67.44	397.82	11.60	-55.84
CCC1=[NH+]C(C)=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013377189	1	49	0.0	-66.35	385.62	10.67	-55.68
CC(C)(CC1=CC=C(CNC2=CC(N3CCSCC3)=NC=[NH+]2)C=C1)C(=O)[O-]	REAL300013377194	0	53	0.0	-71.78	417.18	11.76	-60.02
CC(C)(CC1=CC=C(CNC2=CC(N3CCSCC3)=[NH+]C=N2)C=C1)C(=O)[O-]	REAL300013377194	1	53	0.0	-71.44	416.22	11.34	-60.10
CC(C)(CC1=CC=C(CNC2=CC(NCC3CC3)=[NH+]C=N2)C=C1)C(=O)[O-]	REAL300013377207	0	52	0.0	-68.53	410.13	11.48	-57.05
CC(C)(CC1=CC=C(CNC2=CC(NCC3CC3)=NC=[NH+]2)C=C1)C(=O)[O-]	REAL300013377207	1	52	0.0	-67.17	409.51	11.49	-55.68
CC(C)(CC1=CC=C(CNC2=CC(N3CCCC3)=NC=[NH+]2)C=C1)C(=O)[O-]	REAL300013377219	0	52	0.0	-67.87	400.44	11.12	-56.75
CC(C)(CC1=CC=C(CNC2=CC(N3CCCC3)=[NH+]C=N2)C=C1)C(=O)[O-]	REAL300013377219	1	52	0.0	-66.71	400.38	10.78	-55.93
CC(C)(CC1=CC=C(CNC2=CC(N3CCCCC3)=NC=[NH+]2)C=C1)C(=O)[O-]	REAL300013377220	0	55	0.0	-67.91	417.30	11.88	-56.03
CC(C)(CC1=CC=C(CNC2=CC(N3CCCCC3)=[NH+]C=N2)C=C1)C(=O)[O-]	REAL300013377220	1	55	0.0	-67.27	415.51	11.72	-55.55
CC(C)(CC1=CC=C(CNC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C=C1)C(=O)[O-]	REAL300013377221	0	59	0.0	-70.90	448.90	9.17	-61.73
CC(C)(CC1=CC=C(CNC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C=C1)C(=O)[O-]	REAL300013377221	1	59	0.0	-71.09	447.10	9.00	-62.09
CCCC1=[NH+]C2=CC=CC=C2C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C1	REAL300013377223	0	56	0.0	-62.48	434.40	13.05	-49.43
CC(C)(CC1=CC=C(CNC2=CC=[NH+]C=C2Cl)C=C1)C(=O)[O-]	REAL300013377232	1	41	0.0	-71.60	341.83	9.35	-62.25
CC(C)(CC1=CC=C(CNC2=CC=[NH+]C3=CC=C(Cl)C=C23)C=C1)C(=O)[O-]	REAL300013377286	1	47	0.0	-70.90	386.25	11.46	-59.44
CC(C)(CC1=CC=C(CNC2=CC(N3CCOCC3)=NC=[NH+]2)C=C1)C(=O)[O-]	REAL300013377300	0	53	0.0	-70.60	408.94	9.42	-61.18
CC(C)(CC1=CC=C(CNC2=CC(N3CCOCC3)=[NH+]C=N2)C=C1)C(=O)[O-]	REAL300013377300	1	53	0.0	-69.68	406.57	9.27	-60.41
CC1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=NC(C)=[NH+]1	REAL300013377307	1	46	0.0	-66.57	364.51	9.94	-56.63
CC1=CC2=[NH+]C(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)=CC(C)=C2C=C1	REAL300013377337	1	53	0.0	-62.43	411.42	12.92	-49.51
CC(C)(CC1=CC=C(CNC2=[NH+]C3=CC=CC=C3N2)C=C1)C(=O)[O-]	REAL300013377350	1	45	0.0	-64.88	359.67	11.80	-53.08
CC(C)(CC1=CC=C(CNC2=CC=[NH+]C3=CC(Cl)=CC=C23)C=C1)C(=O)[O-]	REAL300013377364	1	47	0.0	-69.15	386.82	11.46	-57.69
CN(C)C1=[NH+]C=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013377387	0	48	0.0	-67.91	375.49	11.82	-56.09
CCC1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=NC(C)=[NH+]1	REAL300013377405	1	49	0.0	-65.67	385.96	10.68	-54.99
CC(C)(CC1=CC=C(CNC2=C3SC=CC3=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300013377413	1	44	0.0	-67.82	363.40	10.00	-57.82
CC1=[NH+]C(C)=C(C)C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013377416	1	49	0.0	-63.61	380.83	10.86	-52.75
CC(C)(C)C1=NC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=CC=[NH+]1	REAL300013377421	1	52	0.0	-68.74	401.63	11.34	-57.40
CC1=[NH+]C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C2C=CNC2=N1	REAL300013377422	0	47	0.0	-66.30	374.79	10.63	-55.67
CC1=C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C2=CC=CC=C2[NH+]=C1	REAL300013377424	0	50	0.0	-67.91	390.91	11.61	-56.30
CC(C)(CC1=CC=C(CNC2=CC(N3C=CC=N3)=NC(N)=[NH+]2)C=C1)C(=O)[O-]	REAL300013377438	1	49	0.0	-67.41	397.80	11.09	-56.32
CN(C)C1=CC=[NH+]C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013377441	0	48	0.0	-68.78	376.39	11.71	-57.07
CC(C)(CC1=CC=C(CNC2=[NH+]C=CC(N3CCOCC3)=N2)C=C1)C(=O)[O-]	REAL300013377446	0	53	0.0	-72.81	408.34	10.16	-62.65
COC1=CC=CC2=C(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)C=C(C)[NH+]=C12	REAL300013377454	1	54	0.0	-61.62	419.17	10.95	-50.67
CCC1=[NH+]C2=CC=CC=C2C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C1	REAL300013377465	0	53	0.0	-62.22	412.91	12.29	-49.93
CC(C)C1=[NH+]C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=NC(N(C)C)=N1	REAL300013377479	1	56	0.0	-63.11	434.54	15.16	-47.95
CC(C)C1=NC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=NC(N(C)C)=[NH+]1	REAL300013377479	1	56	0.0	-61.51	432.59	15.32	-46.19
CC(C)(CC1=CC=C(CNC2=CC=[NH+]C(N3CCCCC3)=N2)C=C1)C(=O)[O-]	REAL300013377488	0	55	0.0	-68.23	417.81	12.28	-55.95
CC(C)(CC1=CC=C(CNC2=CC=[NH+]C=C2C(N)=O)C=C1)C(=O)[O-]	REAL300013377496	0	45	0.0	-80.42	356.75	5.90	-74.52
CCC1=C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C2=CC=CC=C2[NH+]=C1C	REAL300013377498	0	56	0.0	-64.52	427.33	12.80	-51.72
CC1=CC2=CC=CC=C2C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=[NH+]1	REAL300013377500	0	50	0.0	-63.38	391.21	12.73	-50.65
CC1=[NH+]C=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C1Cl	REAL300013377501	0	44	0.0	-69.70	359.89	9.85	-59.85
CC(C)(CC1=CC=C(CNC2=CC(N3CCCCC3CO)=NC=[NH+]2)C=C1)C(=O)[O-]	REAL300013377510	0	59	0.0	-72.00	447.78	8.34	-63.66
CC(C)(CC1=CC=C(CNC2=CC(N3CCCCC3CO)=[NH+]C=N2)C=C1)C(=O)[O-]	REAL300013377510	1	59	0.0	-68.65	447.97	8.54	-60.11
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C1	REAL300013377512	0	52	0.0	-77.10	418.88	12.20	-64.90
CC(C)(C)C1=NC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=CC=[NH+]1	REAL300013377514	1	52	0.0	-68.74	401.63	11.34	-57.40
CC1=[NH+]C2=CC=CC=C2C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C1C	REAL300013377518	0	53	0.0	-64.32	407.08	12.05	-52.27
CC1=C2[NH+]=CC(C)=C(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)C2=CC=C1	REAL300013377526	0	53	0.0	-67.62	404.72	12.15	-55.47
CC(C)(CC1=CC=C(CNC2=CC=[NH+]C=C2Br)C=C1)C(=O)[O-]	REAL300013377527	1	41	0.0	-71.65	345.94	9.47	-62.18
CN1CCN(C2=CC(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)=[NH+]C=N2)CC1=O	REAL300013377528	0	56	0.0	-76.67	433.92	9.89	-66.78
CN1CCN(C2=CC(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)=NC=[NH+]2)CC1=O	REAL300013377528	1	56	0.0	-72.11	427.53	9.08	-63.03
CCOC(=O)C1=C[NH+]=CC=C1NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013377544	1	50	0.0	-76.36	398.84	10.59	-65.77
COC1=CC=CC2=C(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)C(C)=C[NH+]=C12	REAL300013377552	1	54	0.0	-66.16	415.07	10.82	-55.34
CCCCNC1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=NC(N)=[NH+]1	REAL300013377576	0	56	0.0	-65.38	436.62	10.85	-54.53
CCCCNC1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=[NH+]C(N)=N1	REAL300013377576	1	56	0.0	-63.92	436.62	10.87	-53.05
CC(C)(CC1=CC=C(CNC2=CC=[NH+]C=C2Br)C=C1)C(=O)[O-]	REAL300013377582	1	41	0.0	-71.65	345.94	9.47	-62.18
CN(C1=CC=CC=C1)C1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=[NH+]C=N1	REAL300013377626	1	55	0.0	-71.07	434.76	13.65	-57.42
CC(C)(CC1=CC=C(CNC2=CC=[NH+]C3=CC(F)=C(Cl)C=C23)C=C1)C(=O)[O-]	REAL300013377647	1	47	0.0	-74.02	392.03	11.51	-62.51
CC(O)C1CCN(C2=CC(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)=[NH+]C=N2)C1	REAL300013377648	0	59	0.0	-69.29	449.28	9.37	-59.92
CC(O)C1CCN(C2=CC(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)=NC=[NH+]2)C1	REAL300013377648	1	59	0.0	-68.64	447.32	8.80	-59.84
CC(C)(CC1=CC=C(CNC2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C=C1)C(=O)[O-]	REAL300013377653	1	50	0.0	-70.80	396.30	12.88	-57.92
CCCC1=CC2=C(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)C=C[NH+]=C2C=C1	REAL300013377657	0	56	0.0	-66.88	434.47	13.16	-53.72
CCC1=CC2=C(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)C=C[NH+]=C2C=C1	REAL300013377658	0	53	0.0	-66.73	412.97	12.38	-54.35
CC(C)OC1=CC2=C(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)C=C[NH+]=C2C=C1	REAL300013377661	0	57	0.0	-69.82	438.66	11.80	-58.02
CC(C)(CC1=CC=C(CNC2=CC(NC3CC3)=[NH+]C=N2)C=C1)C(=O)[O-]	REAL300013377666	0	49	0.0	-68.17	387.23	10.78	-57.39
CC(C)(CC1=CC=C(CNC2=CC(NC3CC3)=NC=[NH+]2)C=C1)C(=O)[O-]	REAL300013377666	1	49	0.0	-67.24	387.77	10.77	-56.47
CC1=[NH+]C2=CC=CC=C2C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C1	REAL300013377698	0	50	0.0	-63.10	391.42	11.53	-51.57
CC1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=NC(C2=CC=CN=C2)=[NH+]1	REAL300013377725	1	52	0.0	-67.62	414.95	11.38	-56.24
CCC1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013377762	1	55	0.0	-69.07	436.56	12.13	-56.94
CC(C)C1=[NH+]C=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013377770	1	49	0.0	-68.68	382.37	10.66	-58.02
CC(C)(CC1=CC=C(CNC2=[NH+]C=CC(N3CCCC3)=N2)C=C1)C(=O)[O-]	REAL300013377771	0	52	0.0	-70.10	401.02	11.87	-58.23
CC(C)(CC1=CC=C(CNC2=CC=[NH+]C3=CC(F)=CC=C23)C=C1)C(=O)[O-]	REAL300013377787	0	47	0.0	-69.53	376.52	11.03	-58.50
CC(C)(CC1=CC=C(CNC2=[NH+]C=CC3=CC(F)=CC=C32)C=C1)C(=O)[O-]	REAL300013377804	1	47	0.0	-70.23	375.75	12.24	-57.99
CC1=CC2=C(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)[NH+]=CC=C2C=C1	REAL300013377805	1	50	0.0	-66.08	390.70	12.83	-53.25
CC1=CC=CC2=C(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)[NH+]=CC=C12	REAL300013377806	1	50	0.0	-66.27	387.28	12.71	-53.56
CC(C)(CC1=CC=C(CNC2=NC(N3CCCC(C)(C)C3)=CC=[NH+]2)C=C1)C(=O)[O-]	REAL300013377811	0	61	0.0	-70.23	454.30	13.99	-56.24
CC1=CC(C(F)(F)F)=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=[NH+]1	REAL300013377817	0	47	0.0	-67.88	387.47	11.20	-56.68
COC1=CC2=[NH+]C=CC(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)=C2C=C1OC	REAL300013377824	0	55	0.0	-71.29	428.51	10.21	-61.08
CC1=C[NH+]=C(C)N=C1NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013377825	1	46	0.0	-66.54	363.49	10.41	-56.13
COC1=C(N)[NH+]=CN=C1NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013377847	0	46	0.0	-69.22	370.35	8.07	-61.15
COC1=C(N)N=C[NH+]=C1NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013377847	1	46	0.0	-69.42	368.64	7.98	-61.44
CC(C)(CC1=CC=C(CNC2=C3SC=CC3=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300013377858	1	44	0.0	-67.82	363.40	10.00	-57.82
CC(C)(CC1=CC=C(CNC2=CC=[NH+]C(CO)=C2)C=C1)C(=O)[O-]	REAL300013377871	0	45	0.0	-69.19	357.77	6.16	-63.03
CC(C)(CC1=CC=C(CNC2=[NH+]C=CC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300013377889	1	47	0.0	-66.33	369.94	12.17	-54.16
CCC1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=NC=[NH+]1	REAL300013377892	1	46	0.0	-68.59	364.90	10.77	-57.82
CC1=CC=C2C(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)=CC(C)=[NH+]C2=C1Cl	REAL300013377910	0	53	0.0	-61.97	424.50	12.71	-49.26
CC(C)(CC1=CC=C(CNC2=[NH+]C=CC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300013377913	1	47	0.0	-66.33	369.94	12.17	-54.16
CC1=NC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=CC(NC2=CC=CC=C2)=[NH+]1	REAL300013377914	1	55	0.0	-64.13	434.01	12.95	-51.18
CC1=[NH+]C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=CC(NC2=CC=CC=C2)=N1	REAL300013377914	1	55	0.0	-66.31	435.09	13.34	-52.97
CC1=[NH+]C=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C1Br	REAL300013377917	0	44	0.0	-69.65	363.48	9.94	-59.71
CN(C)C1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=[NH+]C=N1	REAL300013377919	0	48	0.0	-66.79	374.89	11.10	-55.69
CN(C)C1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=NC=[NH+]1	REAL300013377919	1	48	0.0	-67.07	372.94	10.93	-56.14
CN(C1=CC=[NH+]C(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1)C1CCCCC1	REAL300013377920	0	61	0.0	-68.49	455.50	15.16	-53.33
CC1=CC(N(C)C(C)C)=NC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=[NH+]1	REAL300013377921	0	57	0.0	-64.41	434.79	13.78	-50.63
CC1=CC(N2C=CC=N2)=NC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=[NH+]1	REAL300013377924	1	50	0.0	-68.95	404.31	13.01	-55.94
CC1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013377927	0	57	0.0	-63.90	435.57	13.89	-50.01
CN(C1=[NH+]C=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1)C1CCCCC1	REAL300013377930	0	61	0.0	-67.80	455.02	15.19	-52.61
CC1=CC=CC2=CC=[NH+]C(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)=C12	REAL300013377963	0	50	0.0	-64.95	383.59	13.20	-51.75
CC1=[NH+]C(N)=NC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013377971	0	44	0.0	-66.87	355.53	11.05	-55.82
CC1=NC(N)=NC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=[NH+]1	REAL300013377971	1	44	0.0	-67.75	353.16	10.92	-56.83
CCC1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=NC=[NH+]1	REAL300013377975	1	46	0.0	-68.59	364.90	10.77	-57.82
CC(C)(CC1=CC=C(CNC2=CC(CO)=CC=[NH+]2)C=C1)C(=O)[O-]	REAL300013377986	0	45	0.0	-67.77	359.06	6.92	-60.85
CCCCC1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=NC=[NH+]1	REAL300013377989	1	52	0.0	-69.24	407.37	12.33	-56.91
CC(C)(CC1=CC=C(CNC2=C3C=CNC3=NC(C3CC3)=[NH+]2)C=C1)C(=O)[O-]	REAL300013377990	1	51	0.0	-64.05	402.63	12.21	-51.84
CN(C)C1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=[NH+]C(N(C)C)=N1	REAL300013377996	0	56	0.0	-61.37	430.48	13.34	-48.03
CN(C)C1=CC(NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=NC(N(C)C)=[NH+]1	REAL300013377996	1	56	0.0	-62.17	427.16	13.36	-48.81
CC1=C(Cl)C2=[NH+]C=CC(NCC3=CC=C(CC(C)(C)C(=O)[O-])C=C3)=C2C=C1	REAL300013378003	1	50	0.0	-65.21	403.15	12.11	-53.10
CN(CC1=CC=C(CN2C=CN=C2)C=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013378012	0	42	0.0	-55.60	348.78	11.97	-43.63
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OC2=CC=C(Br)C=C2)CC1	REAL300013378023	0	40	0.0	-54.15	338.06	10.06	-44.09
O=C([O-])C1=CC=C[NH+]=C1N1CCC(N2C(=O)CCC2=O)CC1	REAL300013378033	0	39	0.0	-59.76	310.29	7.21	-52.55
COCCC1(C(=O)OC)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013378039	0	45	0.0	-45.16	344.93	7.67	-37.49
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=C3C=CSC3=CC=C2)CC1	REAL300013378057	0	41	0.0	-49.28	339.37	9.51	-39.77
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@@H+]1C1CC1	REAL300013378070	0	41	0.0	-94.11	320.47	9.19	-84.92
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC[N@H+]1C1CC1	REAL300013378070	1	41	0.0	-92.95	314.70	9.05	-83.90
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(COC3=CC=CC=C32)CC1	REAL300013378105	0	41	0.0	-52.55	319.41	9.36	-43.19
O=C([O-])C1=CC=C[NH+]=C1N1CCC(S(=O)(=O)C2=CC=C(F)C=C2)CC1	REAL300013378111	0	42	0.0	-61.12	353.63	7.66	-53.46
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC(N3CCSCC3)=NC=[NH+]1)C2	REAL300013378188	0	39	0.0	-60.74	320.45	8.50	-52.24
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC(N3CCSCC3)=[NH+]C=N1)C2	REAL300013378188	1	39	0.0	-64.91	319.46	8.08	-56.83
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC(N3CCCC(CO)C3)=NC=[NH+]1)C2	REAL300013378193	0	45	0.0	-59.72	352.46	5.91	-53.81
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC(N3CCCC(CO)C3)=[NH+]C=N1)C2	REAL300013378193	1	45	0.0	-64.68	350.11	5.76	-58.92
COC1=CC2=NC(N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=[NH+]C(N)=C2C=C1OC	REAL300013378210	0	42	0.0	-65.54	341.86	7.22	-58.32
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC=[NH+]C3=CC(C(F)(F)F)=CC=C13)C2	REAL300013378217	0	36	0.0	-64.76	311.87	8.71	-56.05
CC(C)(C)C1=CC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC(C(C)(C)C)=[NH+]1	REAL300013378223	1	50	0.0	-55.43	381.95	10.45	-44.98
CC1=CC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013378231	1	41	0.0	-69.84	351.84	10.58	-59.26
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC=[NH+]C3=CC(Br)=CC=C13)C2	REAL300013378257	1	33	0.0	-62.62	294.59	8.31	-54.31
CC1=[NH+]C2=CC=C(Br)C=C2C(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300013378279	0	39	0.0	-62.28	331.30	9.08	-53.20
CCOC(=O)C1=C(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013378304	1	45	0.0	-72.03	369.11	7.47	-64.56
CCOC(=O)C1=C(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013378305	1	48	0.0	-64.32	377.89	10.13	-54.19
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC(N3CCCCC3CO)=NC=[NH+]1)C2	REAL300013378324	0	45	0.0	-58.84	351.49	5.73	-53.11
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC(N3CCCCC3CO)=[NH+]C=N1)C2	REAL300013378324	1	45	0.0	-61.68	351.22	5.26	-56.42
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013378328	0	38	0.0	-71.58	322.71	8.95	-62.63
CN1CCN(C2=CC(N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=[NH+]C=N2)CC1=O	REAL300013378336	0	42	0.0	-63.93	335.51	6.07	-57.86
CN1CCN(C2=CC(N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=NC=[NH+]2)CC1=O	REAL300013378336	1	42	0.0	-64.18	330.51	5.82	-58.36
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C13)C2	REAL300013378360	0	44	0.0	-68.57	361.79	10.56	-58.01
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C13)C2	REAL300013378366	1	40	0.0	-51.40	341.50	10.65	-40.75
CC(C)NC1=[NH+]C(NCCO)=NC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013378381	0	45	0.0	-57.72	367.04	8.46	-49.26
CC(C)NC1=NC(NCCO)=[NH+]C(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013378381	1	45	0.0	-54.48	367.48	8.44	-46.04
CC(C)NC1=NC(NCCO)=NC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=[NH+]1	REAL300013378381	1	45	0.0	-53.73	366.81	8.41	-45.32
CCNC1=[NH+]C(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC(NC(C)(C)C)=N1	REAL300013378391	0	47	0.0	-53.15	368.68	12.68	-40.47
CCNC1=NC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC(NC(C)(C)C)=[NH+]1	REAL300013378391	1	47	0.0	-54.28	366.68	12.40	-41.88
CCNC1=NC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=[NH+]C(NC(C)(C)C)=N1	REAL300013378391	1	47	0.0	-52.84	370.28	12.74	-40.10
CN(C1=CC=CC=C1)C1=CC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=[NH+]C=N1	REAL300013378401	1	41	0.0	-57.83	339.36	11.21	-46.62
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC=[NH+]C3=CC(F)=C(Cl)C=C13)C2	REAL300013378418	1	33	0.0	-67.50	295.53	8.28	-59.22
CC(O)C1CCN(C2=CC(N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=[NH+]C=N2)C1	REAL300013378419	0	45	0.0	-59.24	353.65	5.14	-54.10
CC(O)C1CCN(C2=CC(N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=NC=[NH+]2)C1	REAL300013378419	1	45	0.0	-63.40	351.08	5.57	-57.83
CC(C)OC1=CC2=C(N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C[NH+]=C2C=C1	REAL300013378423	0	43	0.0	-66.55	342.13	8.56	-57.99
C[NH+](C)CCNS(=O)(=O)C1=CC=C(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C([N+](=O)[O-])=C1	REAL300013378457	0	49	0.0	-95.50	410.41	5.98	-89.52
CCC1=CC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013378505	1	44	0.0	-68.66	373.34	11.31	-57.35
C[NH+](C)CC1=NC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013378526	1	50	0.0	-67.38	413.83	12.50	-54.88
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC=[NH+]C3=CC=C(Br)C=C13)C2	REAL300013378527	1	33	0.0	-66.09	294.31	8.33	-57.76
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC=[NH+]C3=C(Br)C=CC=C13)C2	REAL300013378534	1	33	0.0	-57.59	291.66	8.42	-49.17
CCOC1=CC2=[NH+]C=CC(N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2C=C1OCC	REAL300013378542	0	47	0.0	-65.11	375.17	8.80	-56.31
CCC1=CC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013378544	1	41	0.0	-62.57	340.31	8.86	-53.71
COC1=CC2=[NH+]C=CC(N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2C=C1Br	REAL300013378575	0	37	0.0	-66.99	322.77	7.69	-59.30
CC1(C)CCCN(C2=CC=[NH+]C(N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)C1	REAL300013378582	0	47	0.0	-65.30	358.85	10.32	-54.98
CC1=CC2=C(N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013378587	0	46	0.0	-57.98	358.08	10.52	-47.46
COC1=CC2=[NH+]C=CC(N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2C=C1OC	REAL300013378592	0	41	0.0	-65.20	331.46	6.96	-58.24
O=C([O-])[C@]12C[C@H]1[C@H](NC1=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N1)C2	REAL300013378610	0	42	0.0	-65.64	343.38	10.57	-55.07
CC1=CC=C2C(N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC(C)=[NH+]C2=C1Cl	REAL300013378625	0	39	0.0	-53.62	327.66	9.44	-44.18
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013378628	0	41	0.0	-59.24	336.88	9.27	-49.97
CC1=NC(NC2=CC=CC=C2)=CC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=[NH+]1	REAL300013378628	1	41	0.0	-55.86	338.61	10.09	-45.77
CN(C1=CC=[NH+]C(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1)C1CCCCC1	REAL300013378632	0	47	0.0	-61.34	358.56	11.98	-49.36
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=[NH+]1	REAL300013378634	0	44	0.0	-59.36	362.27	12.57	-46.79
CN(C1=[NH+]C=CC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1)C1CCCCC1	REAL300013378637	0	47	0.0	-63.72	358.52	11.95	-51.77
CC1=CC(N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013378639	1	44	0.0	-61.55	360.32	12.61	-48.94
O=C([O-])[C@]12C[C@H]1[C@H](NC1=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C13)C2	REAL300013378674	0	37	0.0	-64.10	319.23	7.51	-56.59
CC1=C(Cl)C2=[NH+]C=CC(N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2C=C1	REAL300013378680	1	36	0.0	-57.56	306.08	8.86	-48.70
O=C([O-])C1(CNC2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CC1	REAL300013378688	0	44	0.0	-43.85	342.19	5.53	-38.32
O=C([O-])C1(CNC2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CC1	REAL300013378688	1	44	0.0	-54.29	339.83	5.38	-48.91
COC1=CC=C(NC2=CC(NCC3(C(=O)[O-])CC3)=[NH+]C=N2)C(OC)=C1	REAL300013378690	1	45	0.0	-45.18	363.39	8.66	-36.52
COC1=CC2=NC(NCC3(C(=O)[O-])CC3)=[NH+]C(N)=C2C=C1OC	REAL300013378704	0	41	0.0	-55.52	331.10	6.78	-48.74
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C23)CC1	REAL300013378709	0	35	0.0	-52.28	301.33	8.35	-43.93
CC(C)(C)C1=CC(NCC2(C(=O)[O-])CC2)=NC(C(C)(C)C)=[NH+]1	REAL300013378713	1	49	0.0	-46.08	371.39	10.08	-36.00
CC1=CC(NCC2(C(=O)[O-])CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013378720	1	40	0.0	-58.74	341.35	10.23	-48.51
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(Br)=CC=C23)CC1	REAL300013378746	1	32	0.0	-50.72	284.05	7.95	-42.77
CC1=[NH+]C2=CC=C(Br)C=C2C(NCC2(C(=O)[O-])CC2)=C1C	REAL300013378764	0	38	0.0	-54.77	322.25	9.03	-45.74
CCOC(=O)C1=C(NCC2(C(=O)[O-])CC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013378787	1	44	0.0	-65.87	361.88	8.16	-57.71
CCOC(=O)C1=C(NCC2(C(=O)[O-])CC2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013378788	1	47	0.0	-57.10	371.63	10.40	-46.70
O=C([O-])C1(CNC2=CC(N3CCCCC3CO)=NC=[NH+]2)CC1	REAL300013378803	0	44	0.0	-43.26	340.47	4.71	-38.55
O=C([O-])C1(CNC2=CC(N3CCCCC3CO)=[NH+]C=N2)CC1	REAL300013378803	1	44	0.0	-50.69	340.98	4.88	-45.81
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(NCC2(C(=O)[O-])CC2)=C1	REAL300013378807	0	37	0.0	-62.23	312.15	8.58	-53.65
CN1CCN(C2=CC(NCC3(C(=O)[O-])CC3)=[NH+]C=N2)CC1=O	REAL300013378814	0	41	0.0	-52.47	330.79	6.03	-46.44
CN1CCN(C2=CC(NCC3(C(=O)[O-])CC3)=NC=[NH+]2)CC1=O	REAL300013378814	1	41	0.0	-52.82	320.21	5.46	-47.36
CC(C)C1OCCCC1NC1=CC(NCC2(C(=O)[O-])CC2)=[NH+]C=N1	REAL300013378819	0	50	0.0	-41.25	380.05	8.85	-32.40
CC(C)C1OCCCC1NC1=CC(NCC2(C(=O)[O-])CC2)=NC=[NH+]1	REAL300013378819	1	50	0.0	-51.47	378.82	9.03	-42.44
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C23)CC1	REAL300013378831	0	43	0.0	-57.75	355.15	9.96	-47.79
O=C([O-])C1(CNC2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)CC1	REAL300013378837	1	39	0.0	-38.71	330.96	10.28	-28.43
CC(C)NC1=NC(NCCO)=[NH+]C(NCC2(C(=O)[O-])CC2)=N1	REAL300013378849	0	44	0.0	-43.99	360.63	7.70	-36.29
CC(C)NC1=NC(NCCO)=NC(NCC2(C(=O)[O-])CC2)=[NH+]1	REAL300013378849	1	44	0.0	-43.78	359.97	7.67	-36.11
CC(C)NC1=[NH+]C(NCCO)=NC(NCC2(C(=O)[O-])CC2)=N1	REAL300013378849	1	44	0.0	-48.27	356.12	7.99	-40.28
CCNC1=[NH+]C(NCC2(C(=O)[O-])CC2)=NC(NC(C)(C)C)=N1	REAL300013378856	0	46	0.0	-42.43	357.96	12.24	-30.19
CCNC1=NC(NCC2(C(=O)[O-])CC2)=NC(NC(C)(C)C)=[NH+]1	REAL300013378856	1	46	0.0	-44.97	355.78	11.94	-33.03
CCNC1=NC(NCC2(C(=O)[O-])CC2)=[NH+]C(NC(C)(C)C)=N1	REAL300013378856	1	46	0.0	-39.82	355.78	11.93	-27.89
CC(O)C1CCN(C2=CC(NCC3(C(=O)[O-])CC3)=[NH+]C=N2)C1	REAL300013378879	0	44	0.0	-43.27	339.66	5.87	-37.40
CC(O)C1CCN(C2=CC(NCC3(C(=O)[O-])CC3)=NC=[NH+]2)C1	REAL300013378879	1	44	0.0	-52.75	340.53	5.19	-47.56
CC(C)OC1=CC2=C(NCC3(C(=O)[O-])CC3)C=C[NH+]=C2C=C1	REAL300013378882	0	42	0.0	-56.31	335.57	7.98	-48.33
CCOC(=O)C1=C(C)C2=C(NCC3(C(=O)[O-])CC3)N=C(C[NH+](C)C)N=C2S1	REAL300013378914	1	51	0.0	-65.76	413.88	10.46	-55.30
C[NH+](C)CCNS(=O)(=O)C1=CC=C(NCC2(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300013378918	0	48	0.0	-80.55	402.49	5.63	-74.92
CCC1=CC(NCC2(C(=O)[O-])CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013378967	1	43	0.0	-56.70	362.79	10.96	-45.74
C[NH+](C)CC1=NC(NCC2(C(=O)[O-])CC2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013378982	1	49	0.0	-58.79	401.67	11.53	-47.26
O=C([O-])C1(CNC2=CC=[NH+]C3=CC=C(Br)C=C23)CC1	REAL300013378983	1	32	0.0	-54.55	287.64	7.73	-46.82
O=C([O-])C1(CNC2=CC=[NH+]C3=C(Br)C=CC=C23)CC1	REAL300013378989	1	32	0.0	-45.78	285.00	7.82	-37.96
CCOC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CC3)=C2C=C1OCC	REAL300013378996	0	46	0.0	-53.78	368.47	8.20	-45.58
COC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CC3)=C2C=C1Br	REAL300013379022	0	36	0.0	-55.35	316.11	7.09	-48.26
CC1(C)CCCN(C2=CC=[NH+]C(NCC3(C(=O)[O-])CC3)=N2)C1	REAL300013379029	0	46	0.0	-54.86	348.41	9.88	-44.98
CC1=CC2=C(NCC3(C(=O)[O-])CC3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013379033	0	45	0.0	-50.39	354.41	10.65	-39.74
COC1=CC2=[NH+]C=CC(NCC3(C(=O)[O-])CC3)=C2C=C1OC	REAL300013379036	0	40	0.0	-54.14	321.19	6.59	-47.55
O=C([O-])C1(CNC2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CC1	REAL300013379049	0	41	0.0	-54.50	332.64	10.14	-44.36
CC1=CC=C2C(NCC3(C(=O)[O-])CC3)=CC(C)=[NH+]C2=C1Cl	REAL300013379059	0	38	0.0	-42.58	320.69	8.85	-33.73
CN(C1=CC=[NH+]C(NCC2(C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013379065	0	46	0.0	-49.85	348.75	11.45	-38.40
CC1=CC(N(C)C2=CC=CC=C2)=NC(NCC2(C(=O)[O-])CC2)=[NH+]1	REAL300013379067	0	43	0.0	-51.26	349.51	11.34	-39.92
CN(C1=[NH+]C=CC(NCC2(C(=O)[O-])CC2)=N1)C1CCCCC1	REAL300013379068	0	46	0.0	-54.57	348.29	11.57	-43.00
CC1=CC(NCC2(C(=O)[O-])CC2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013379070	1	43	0.0	-52.61	350.05	12.23	-40.38
O=C([O-])C1(CNC2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C23)CC1	REAL300013379100	0	36	0.0	-52.24	308.69	7.14	-45.10
C[NH+](C)[C@@H]1COC[C@H]1CNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013379125	0	41	0.0	-105.02	327.62	6.09	-98.93
C[NH+]1CCN(C(CNC2=CC=CC(C(=O)[O-])=N2)C2=CC=C(F)C=C2)CC1	REAL300013379126	0	49	0.0	-73.35	379.14	7.94	-65.41
C[NH+]1CCN(C(CNC2=NC=CC=C2C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300013379127	0	49	0.0	-69.75	381.53	9.07	-60.68
C[NH+]1CCN(C(CNC2=NC=C(C(=O)[O-])C=C2Cl)C2=CC=C(F)C=C2)CC1	REAL300013379128	0	49	0.0	-69.24	394.65	8.80	-60.44
C[NH+]1CCN(C(CNC2=CC=CC(C(=O)[O-])=N2)C2=CC=C(F)C=C2)CC1	REAL300013379129	0	49	0.0	-73.35	379.14	7.94	-65.41
C[NH+]1CCN(C(CNC2=CC=CC(C(=O)[O-])=N2)C2=CC=C(F)C=C2)CC1	REAL300013379130	0	49	0.0	-73.35	379.14	7.94	-65.41
C[NH+]1CCN(C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C2=CC=C(F)C=C2)CC1	REAL300013379131	0	52	0.0	-109.75	413.77	9.68	-100.07
C[NH+](C)CCCCCCNC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013379132	0	45	0.0	-100.80	361.89	9.36	-91.44
C[N@@H+]1CC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC12CCC2	REAL300013379135	0	41	0.0	-100.43	322.70	8.24	-92.19
C[N@H+]1CC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC12CCC2	REAL300013379135	1	41	0.0	-100.61	322.43	8.23	-92.38
O=C([O-])C1=CC=CC(NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)=N1	REAL300013379148	0	51	0.0	-76.26	385.31	11.03	-65.23
O=C([O-])C1=CC=CC(NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)=N1	REAL300013379148	1	51	0.0	-75.95	383.39	10.99	-64.96
O=C([O-])C1=CC=CN=C1NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300013379149	0	51	0.0	-50.65	377.96	11.64	-39.01
O=C([O-])C1=CC=CN=C1NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300013379149	1	51	0.0	-54.03	381.76	11.69	-42.34
O=C([O-])C1=CN=C(NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C(Cl)=C1	REAL300013379150	0	51	0.0	-63.62	401.30	11.99	-51.63
O=C([O-])C1=CN=C(NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C(Cl)=C1	REAL300013379150	1	51	0.0	-63.24	400.75	11.94	-51.30
O=C([O-])C1=CC=CC(NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)=N1	REAL300013379151	0	51	0.0	-76.26	385.31	11.03	-65.23
O=C([O-])C1=CC=CC(NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)=N1	REAL300013379151	1	51	0.0	-75.95	383.39	10.99	-64.96
O=C([O-])C1=CC=CC(NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)=N1	REAL300013379152	0	51	0.0	-76.26	385.31	11.03	-65.23
O=C([O-])C1=CC=CC(NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)=N1	REAL300013379152	1	51	0.0	-75.95	383.39	10.99	-64.96
O=C([O-])C1=CC2=C(NC3C[N@H+](CC4=CC=CC=C4)C4(CCCC4)C3)N=CNC2=N1	REAL300013379153	0	54	0.0	-101.62	413.16	12.32	-89.30
O=C([O-])C1=CC2=C(NC3C[N@@H+](CC4=CC=CC=C4)C4(CCCC4)C3)N=CNC2=N1	REAL300013379153	1	54	0.0	-100.23	412.89	12.30	-87.93
C[NH+](C)C1CCCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013379232	0	43	0.0	-105.96	321.06	9.41	-96.55
CS(=O)(=O)C1CCCCCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013379234	1	41	0.0	-47.89	308.15	5.83	-42.06
O=C([O-])C1=CC=C[NH+]=C1N1CCCCCCCNS(=O)(=O)CC1	REAL300013379240	0	46	0.0	-47.82	347.60	5.74	-42.08
CC(C)CCC1=NC=C2CN(C3=[NH+]C=CC=C3C(=O)[O-])CCC2=N1	REAL300013379284	0	46	0.0	-53.72	362.10	9.72	-44.00
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(Br)C=C(F)C=C2C1	REAL300013379326	0	33	0.0	-39.50	280.94	8.76	-30.74
COC(=O)[C@H]1C[C@@H](C(C)(C)C)CN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013379332	1	47	0.0	-48.88	353.99	9.60	-39.28
O=C([O-])C1=CN=C(N[C@H]2CCC[N@@H+](C3CCCC3)C2)C(Cl)=C1	REAL300013379337	0	44	0.0	-66.01	345.77	9.67	-56.34
O=C([O-])C1=CN=C(N[C@H]2CCC[N@H+](C3CCCC3)C2)C(Cl)=C1	REAL300013379337	1	44	0.0	-66.45	341.74	10.14	-56.31
O=C([O-])C1=CC2=C(N[C@H]3CCC[N@@H+](C4CCCC4)C3)N=CNC2=N1	REAL300013379338	0	47	0.0	-101.07	358.95	10.01	-91.06
O=C([O-])C1=CC2=C(N[C@H]3CCC[N@H+](C4CCCC4)C3)N=CNC2=N1	REAL300013379338	1	47	0.0	-98.25	354.92	10.45	-87.80
O=C([O-])C1=CC=CC(NC2C[N@H+](CC3=CC=CC=C3)C3(CCC3)C2)=N1	REAL300013379359	0	48	0.0	-74.88	368.19	10.44	-64.44
O=C([O-])C1=CC=CC(NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)=N1	REAL300013379359	1	48	0.0	-75.43	366.88	10.42	-65.01
O=C([O-])C1=CC=CN=C1NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300013379360	0	48	0.0	-54.62	367.07	11.13	-43.49
O=C([O-])C1=CC=CN=C1NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300013379360	1	48	0.0	-54.17	366.78	11.15	-43.02
O=C([O-])C1=CN=C(NC2C[N@H+](CC3=CC=CC=C3)C3(CCC3)C2)C(Cl)=C1	REAL300013379361	0	48	0.0	-63.31	386.31	11.48	-51.83
O=C([O-])C1=CN=C(NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)C(Cl)=C1	REAL300013379361	1	48	0.0	-62.51	385.07	11.45	-51.06
O=C([O-])C1=CC=CC(NC2C[N@H+](CC3=CC=CC=C3)C3(CCC3)C2)=N1	REAL300013379362	0	48	0.0	-74.88	368.19	10.44	-64.44
O=C([O-])C1=CC=CC(NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)=N1	REAL300013379362	1	48	0.0	-75.43	366.88	10.42	-65.01
O=C([O-])C1=CC=CC(NC2C[N@H+](CC3=CC=CC=C3)C3(CCC3)C2)=N1	REAL300013379363	0	48	0.0	-74.88	368.19	10.44	-64.44
O=C([O-])C1=CC=CC(NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)=N1	REAL300013379363	1	48	0.0	-75.43	366.88	10.42	-65.01
O=C([O-])C1=CC2=C(NC3C[N@H+](CC4=CC=CC=C4)C4(CCC4)C3)N=CNC2=N1	REAL300013379364	0	51	0.0	-100.93	398.23	11.80	-89.13
O=C([O-])C1=CC2=C(NC3C[N@@H+](CC4=CC=CC=C4)C4(CCC4)C3)N=CNC2=N1	REAL300013379364	1	51	0.0	-100.32	396.10	11.75	-88.57
CC1=[NH+]C2=CC=C(F)C=C2C(N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300013379381	0	42	0.0	-55.11	329.06	8.99	-46.12
O=C([O-])C1CN(C2=CC(N3CCSCC3)=NC=[NH+]2)CC12CCC2	REAL300013379388	0	45	0.0	-53.93	345.86	8.89	-45.04
O=C([O-])C1CN(C2=CC(N3CCSCC3)=[NH+]C=N2)CC12CCC2	REAL300013379388	1	45	0.0	-58.15	345.64	8.67	-49.48
O=C([O-])C1CN(C2=CC(NCC3CC3)=[NH+]C=N2)CC12CCC2	REAL300013379396	0	44	0.0	-57.21	339.66	8.79	-48.42
O=C([O-])C1CN(C2=CC(NCC3CC3)=NC=[NH+]2)CC12CCC2	REAL300013379396	1	44	0.0	-44.39	333.59	8.40	-35.99
O=C([O-])C1CN(C2=CC(N3CCCC3)=[NH+]C=N2)CC12CCC2	REAL300013379407	0	44	0.0	-54.38	329.97	8.11	-46.27
O=C([O-])C1CN(C2=CC(N3CCCC3)=NC=[NH+]2)CC12CCC2	REAL300013379407	1	44	0.0	-51.60	329.62	8.27	-43.33
O=C([O-])C1CN(C2=CC(N3CCCCC3)=[NH+]C=N2)CC12CCC2	REAL300013379408	0	47	0.0	-54.40	345.39	9.03	-45.37
O=C([O-])C1CN(C2=CC(N3CCCCC3)=NC=[NH+]2)CC12CCC2	REAL300013379408	1	47	0.0	-51.36	346.51	9.02	-42.34
O=C([O-])C1CN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CC12CCC2	REAL300013379409	0	51	0.0	-57.95	376.70	6.33	-51.62
O=C([O-])C1CN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CC12CCC2	REAL300013379409	1	51	0.0	-56.39	378.62	5.91	-50.48
CCCC1=[NH+]C2=CC=CC=C2C(N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300013379410	0	48	0.0	-51.08	365.59	10.44	-40.64
COC1=CC2=NC(N3CC(C(=O)[O-])C4(CCC4)C3)=[NH+]C(N)=C2C=C1OC	REAL300013379441	0	48	0.0	-55.27	368.24	7.14	-48.13
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)CC12CCC2	REAL300013379454	0	42	0.0	-57.34	339.90	9.35	-47.99
O=C([O-])C1CN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)CC12CCC2	REAL300013379465	1	39	0.0	-58.41	318.07	8.86	-49.55
O=C([O-])C1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC12CCC2	REAL300013379468	1	36	0.0	-56.97	294.60	7.75	-49.22
CC(C)(C)C1=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=NC(C(C)(C)C)=[NH+]1	REAL300013379469	1	56	0.0	-46.24	403.58	10.81	-35.43
O=C([O-])C1CN(C2=CC(N3CCOCC3)=NC=[NH+]2)CC12CCC2	REAL300013379477	0	45	0.0	-52.10	337.61	6.56	-45.54
O=C([O-])C1CN(C2=CC(N3CCOCC3)=[NH+]C=N2)CC12CCC2	REAL300013379477	1	45	0.0	-57.46	336.14	6.59	-50.87
CC1=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013379484	1	47	0.0	-62.42	378.60	11.12	-51.30
CC1=CC2=[NH+]C(N3CC(C(=O)[O-])C4(CCC4)C3)=CC(C)=C2C=C1	REAL300013379497	1	45	0.0	-46.07	339.63	9.91	-36.16
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC12CCC2	REAL300013379515	1	39	0.0	-55.36	318.06	8.85	-46.51
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(Br)=CC=C32)CC12CCC2	REAL300013379527	1	39	0.0	-55.39	322.62	8.95	-46.44
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CC(C(=O)[O-])C3(CCC3)C2)=C1C	REAL300013379556	0	45	0.0	-58.05	349.18	9.71	-48.34
CC(O)CNC1=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=NC=[NH+]1	REAL300013379578	0	44	0.0	-57.60	340.28	4.72	-52.88
CC(O)CNC1=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=[NH+]C=N1	REAL300013379578	1	44	0.0	-46.18	334.50	4.26	-41.92
NC1=[NH+]C(N2CC(C(=O)[O-])C3(CCC3)C2)=CC(N2C=CC=N2)=N1	REAL300013379586	0	41	0.0	-51.63	326.45	8.22	-43.41
O=C([O-])C1CN(C2=[NH+]C=CC(N3CCOCC3)=N2)CC12CCC2	REAL300013379590	0	45	0.0	-55.77	338.48	6.90	-48.87
COC1=CC=CC2=C(N3CC(C(=O)[O-])C4(CCC4)C3)C=C(C)[NH+]=C12	REAL300013379595	1	46	0.0	-49.47	344.08	7.89	-41.58
CCOC(=O)C1=C(N2CC(C(=O)[O-])C3(CCC3)C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013379596	1	51	0.0	-65.39	389.89	8.69	-56.70
CCOC(=O)C1=C(N2CC(C(=O)[O-])C3(CCC3)C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013379597	1	54	0.0	-58.19	401.06	11.39	-46.80
CCC1=[NH+]C2=CC=CC=C2C(N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300013379605	0	45	0.0	-51.44	344.08	9.66	-41.78
O=C([O-])C1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC12CCC2	REAL300013379609	1	36	0.0	-56.97	294.60	7.75	-49.22
CC(C)C1=[NH+]C(N(C)C)=NC(N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013379619	1	48	0.0	-53.62	364.25	11.48	-42.14
CC(C)C1=NC(N(C)C)=NC(N2CC(C(=O)[O-])C3(CCC3)C2)=[NH+]1	REAL300013379619	1	48	0.0	-43.63	363.65	11.98	-31.65
O=C([O-])C1CN(C2=CC=[NH+]C(N3CCCCC3)=N2)CC12CCC2	REAL300013379625	0	47	0.0	-55.55	347.75	9.58	-45.97
CCC1=C(N2CC(C(=O)[O-])C3(CCC3)C2)C2=CC=CC=C2[NH+]=C1C	REAL300013379637	0	48	0.0	-55.34	349.40	9.83	-45.51
O=C([O-])C1CN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)CC12CCC2	REAL300013379644	0	51	0.0	-51.98	376.40	5.48	-46.50
O=C([O-])C1CN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)CC12CCC2	REAL300013379644	1	51	0.0	-55.77	377.86	5.82	-49.95
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300013379648	0	44	0.0	-61.58	350.71	9.58	-52.00
CC1=[NH+]C2=CC=CC=C2C(N2CC(C(=O)[O-])C3(CCC3)C2)=C1C	REAL300013379653	0	45	0.0	-54.51	326.78	9.10	-45.41
CC1=C2[NH+]=CC(C)=C(N3CC(C(=O)[O-])C4(CCC4)C3)C2=CC=C1	REAL300013379660	0	45	0.0	-58.24	328.92	9.37	-48.87
O=C([O-])C1CN(C2=CC=[NH+]C=C2Br)CC12CCC2	REAL300013379662	1	33	0.0	-58.59	270.01	6.35	-52.24
CN1CCN(C2=CC(N3CC(C(=O)[O-])C4(CCC4)C3)=[NH+]C=N2)CC1=O	REAL300013379663	0	48	0.0	-59.73	363.19	7.02	-52.71
CN1CCN(C2=CC(N3CC(C(=O)[O-])C4(CCC4)C3)=NC=[NH+]2)CC1=O	REAL300013379663	1	48	0.0	-54.76	358.36	6.37	-48.39
CC(C)C1OCCCC1NC1=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=NC=[NH+]1	REAL300013379675	0	57	0.0	-58.82	416.54	9.77	-49.05
CC(C)C1OCCCC1NC1=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=[NH+]C=N1	REAL300013379675	1	57	0.0	-52.10	416.04	9.60	-42.50
CCOC(=O)C1=C[NH+]=CC=C1N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013379677	1	42	0.0	-66.01	329.71	8.35	-57.66
O=C([O-])C1CN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)CC12CCC2	REAL300013379697	0	50	0.0	-58.73	391.08	11.22	-47.51
CCCCNC1=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=NC(N)=[NH+]1	REAL300013379712	0	48	0.0	-51.43	361.45	8.00	-43.43
CCCCNC1=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=[NH+]C(N)=N1	REAL300013379712	1	48	0.0	-47.06	363.81	7.97	-39.09
O=C([O-])C1CN(C2=CC=[NH+]C=C2Br)CC12CCC2	REAL300013379720	1	33	0.0	-58.59	270.01	6.35	-52.24
CC(C)NC1=[NH+]C(NCCO)=NC(N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013379725	0	51	0.0	-51.62	386.62	8.07	-43.55
CC(C)NC1=NC(NCCO)=[NH+]C(N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013379725	1	51	0.0	-44.98	393.69	8.35	-36.63
CC(C)NC1=NC(NCCO)=NC(N2CC(C(=O)[O-])C3(CCC3)C2)=[NH+]1	REAL300013379725	1	51	0.0	-44.28	393.04	8.33	-35.95
O=C([O-])C1CN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC12CCC2	REAL300013379735	1	36	0.0	-56.97	294.60	7.75	-49.22
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013379740	0	53	0.0	-51.08	395.13	12.53	-38.55
CCNC1=NC(NC(C)(C)C)=NC(N2CC(C(=O)[O-])C3(CCC3)C2)=[NH+]1	REAL300013379740	1	53	0.0	-43.70	394.88	12.58	-31.12
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013379740	1	53	0.0	-41.86	392.99	12.27	-29.59
CC(O)C1CCN(C2=CC(N3CC(C(=O)[O-])C4(CCC4)C3)=NC=[NH+]2)C1	REAL300013379788	0	51	0.0	-58.21	377.62	6.13	-52.08
CC(O)C1CCN(C2=CC(N3CC(C(=O)[O-])C4(CCC4)C3)=[NH+]C=N2)C1	REAL300013379788	1	51	0.0	-51.63	380.06	6.25	-45.38
O=C([O-])C1CN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CC12CCC2	REAL300013379790	1	42	0.0	-46.04	329.79	9.72	-36.32
CCCC1=CC2=C(N3CC(C(=O)[O-])C4(CCC4)C3)C=C[NH+]=C2C=C1	REAL300013379794	0	48	0.0	-55.56	365.72	10.55	-45.01
CCC1=CC2=C(N3CC(C(=O)[O-])C4(CCC4)C3)C=C[NH+]=C2C=C1	REAL300013379795	0	45	0.0	-55.45	344.22	9.77	-45.68
CC(C)OC1=CC2=C(N3CC(C(=O)[O-])C4(CCC4)C3)C=C[NH+]=C2C=C1	REAL300013379798	0	49	0.0	-58.94	370.44	9.18	-49.76
O=C([O-])C1CN(C2=CC=[NH+]C3=CC=C(Br)C=C32)CC12CCC2	REAL300013379920	1	39	0.0	-58.27	322.63	8.96	-49.31
CCOC1=CC2=[NH+]C=CC(N3CC(C(=O)[O-])C4(CCC4)C3)=C2C=C1OCC	REAL300013379939	0	53	0.0	-57.35	403.48	9.43	-47.92
CCC1=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013379941	1	47	0.0	-55.42	366.66	9.42	-46.00
O=C([O-])C1CN(C2=[NH+]C=CC(N3CCCC3)=N2)CC12CCC2	REAL300013379953	0	44	0.0	-53.75	330.85	8.58	-45.17
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(F)=CC=C32)CC12CCC2	REAL300013379973	0	39	0.0	-55.60	307.77	8.42	-47.18
COC1=CC2=[NH+]C=CC(N3CC(C(=O)[O-])C4(CCC4)C3)=C2C=C1Br	REAL300013379987	0	43	0.0	-55.65	344.97	8.16	-47.49
CC1(C)CCCN(C2=CC=[NH+]C(N3CC(C(=O)[O-])C4(CCC4)C3)=N2)C1	REAL300013379998	0	53	0.0	-54.07	384.22	10.69	-43.38
CC1=CC2=C(N3CC(C(=O)[O-])C4(CCC4)C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013380003	0	52	0.0	-52.44	378.61	11.10	-41.34
CC1=CC(C(F)(F)F)=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=[NH+]1	REAL300013380006	0	39	0.0	-47.11	316.03	8.24	-38.87
O=C([O-])C1CN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)CC12CCC2	REAL300013380008	1	44	0.0	-57.87	341.60	9.87	-48.00
COC1=CC2=[NH+]C=CC(N3CC(C(=O)[O-])C4(CCC4)C3)=C2C=C1OC	REAL300013380012	0	47	0.0	-57.67	359.77	7.59	-50.08
O=C([O-])C1CN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CC12CCC2	REAL300013380048	0	48	0.0	-55.23	369.89	10.46	-44.77
CC1=CC=C2C(N3CC(C(=O)[O-])C4(CCC4)C3)=CC(C)=[NH+]C2=C1Cl	REAL300013380078	0	45	0.0	-46.86	355.68	10.08	-36.78
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013380080	0	47	0.0	-54.14	362.84	9.80	-44.34
CC1=NC(NC2=CC=CC=C2)=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=[NH+]1	REAL300013380080	1	47	0.0	-47.66	361.77	9.62	-38.04
CC1=[NH+]C=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=C1Br	REAL300013380083	0	36	0.0	-57.81	294.92	7.25	-50.56
CN(C1=CC=[NH+]C(N2CC(C(=O)[O-])C3(CCC3)C2)=N1)C1CCCCC1	REAL300013380085	0	53	0.0	-51.36	385.55	11.82	-39.54
CC1=CC(N(C)C(C)C)=NC(N2CC(C(=O)[O-])C3(CCC3)C2)=[NH+]1	REAL300013380086	0	49	0.0	-47.98	365.47	10.51	-37.47
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CC(C(=O)[O-])C3(CCC3)C2)=[NH+]1	REAL300013380089	0	50	0.0	-46.59	387.39	12.54	-34.05
CC1=CC(N2C=CC=N2)=NC(N2CC(C(=O)[O-])C3(CCC3)C2)=[NH+]1	REAL300013380090	1	42	0.0	-49.96	333.84	9.75	-40.21
CC1=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013380093	0	49	0.0	-52.29	365.09	11.21	-41.08
CN(C1=[NH+]C=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=N1)C1CCCCC1	REAL300013380096	0	53	0.0	-56.75	385.19	12.53	-44.22
CC1=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013380098	1	50	0.0	-53.97	385.31	11.49	-42.48
O=C([O-])C1CN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)CC12CCC2	REAL300013380143	0	43	0.0	-43.10	332.85	9.10	-34.00
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)CC12CCC2	REAL300013380144	0	43	0.0	-56.52	347.26	8.15	-48.37
CN(C)C1=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=NC(N(C)C)=[NH+]1	REAL300013380148	1	48	0.0	-51.51	359.33	10.53	-40.98
CN(C)C1=CC(N2CC(C(=O)[O-])C3(CCC3)C2)=[NH+]C(N(C)C)=N1	REAL300013380148	1	48	0.0	-45.23	359.56	10.08	-35.15
CC1=C(Cl)C2=[NH+]C=CC(N3CC(C(=O)[O-])C4(CCC4)C3)=C2C=C1	REAL300013380156	1	42	0.0	-50.49	334.39	9.50	-40.99
O=C([O-])C1=CC=C[NH+]=C1N1CC23CCCCC2(C1)C(=O)NC3=O	REAL300013380171	0	40	0.0	-65.28	310.70	5.02	-60.26
COC(=O)CCC1=CC=C2CN(C3=[NH+]C=CC=C3C(=O)[O-])CCC2=C1	REAL300013380182	0	45	0.0	-46.07	353.88	10.25	-35.82
CC1(C(F)(F)F)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CCO1	REAL300013380188	0	36	0.0	-44.63	270.97	7.70	-36.93
CCOC(=O)C1CNC(=O)CC12CCN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013380210	0	49	0.0	-57.34	368.91	7.07	-50.27
N#CC(C1=CC=CC=C1)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013380221	0	43	0.0	-50.62	346.83	11.29	-39.33
CCC1=[NH+]C=CN1CC(C)NC1=NC=C(C(=O)[O-])C=C1Cl	REAL300013380226	1	38	0.0	-59.89	331.87	8.88	-51.01
CCC1=[NH+]C=CN1CC(C)NC1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013380227	1	41	0.0	-92.67	345.07	9.25	-83.42
O=C([O-])C1=CN=C(NCC[N@@H+]2CCN3N=CC=C3C2)C(Cl)=C1	REAL300013380229	1	38	0.0	-78.86	323.92	6.83	-72.03
O=C([O-])C1=CN=C(NCC[N@H+]2CCN3N=CC=C3C2)C(Cl)=C1	REAL300013380229	1	38	0.0	-78.86	323.93	6.83	-72.03
O=C([O-])C1=CC2=C(NCC[N@@H+]3CCN4N=CC=C4C3)N=CNC2=N1	REAL300013380230	1	41	0.0	-114.88	337.11	7.17	-107.71
O=C([O-])C1=CC2=C(NCC[N@H+]3CCN4N=CC=C4C3)N=CNC2=N1	REAL300013380230	1	41	0.0	-114.86	337.11	7.17	-107.69
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC(OCC3=CC=C(F)C=C3)=CC=C2C1	REAL300013380241	0	47	0.0	-44.52	373.24	11.36	-33.16
CC1CN(C2=CC=CC(C(=O)[O-])=N2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300013380250	0	50	0.0	-71.92	363.63	11.51	-60.41
CC1CN(C2=CC=CC(C(=O)[O-])=N2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300013380250	1	50	0.0	-73.69	375.88	10.26	-63.43
CC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300013380251	0	50	0.0	-67.24	390.92	11.07	-56.17
CC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300013380251	1	50	0.0	-66.97	375.29	10.58	-56.39
CC1CN(C2=CC=CC(C(=O)[O-])=N2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300013380252	0	50	0.0	-71.92	363.63	11.51	-60.41
CC1CN(C2=CC=CC(C(=O)[O-])=N2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300013380252	1	50	0.0	-73.69	375.88	10.26	-63.43
CC1CN(C2=CC=CC(C(=O)[O-])=N2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300013380253	0	50	0.0	-71.92	363.63	11.51	-60.41
CC1CN(C2=CC=CC(C(=O)[O-])=N2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300013380253	1	50	0.0	-73.69	375.88	10.26	-63.43
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300013380254	0	53	0.0	-99.59	406.39	12.12	-87.47
CC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300013380254	1	53	0.0	-104.48	399.12	12.67	-91.81
O=C([O-])C1=CC=C[NH+]=C1N1CCC(F)(F)C(C(F)(F)F)C1	REAL300013380267	0	32	0.0	-46.39	275.45	7.92	-38.47
O=C([O-])C1=CC2=C(N3CC[NH+](CCOCCO)CC3)N=CNC2=N1	REAL300013380288	0	45	0.0	-100.39	356.51	5.09	-95.30
CC(C)C1=CC=C(C(=O)C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013380303	0	50	0.0	-63.11	390.08	12.28	-50.83
CC1(C2=CC=C(Cl)C=C2)CCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013380309	0	39	0.0	-50.17	320.71	10.51	-39.66
O=C([O-])C1=CC=C[NH+]=C1N1CC23CCCC2(C1)C(=O)NC3=O	REAL300013380318	0	37	0.0	-67.04	294.75	4.27	-62.77
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC(OCC3=CC=CC(F)=C3)=CC=C2C1	REAL300013380325	0	47	0.0	-54.47	386.21	12.47	-42.00
O=C([O-])C1=CC=C[NH+]=C1N1CCN(C2=CC=CC(Cl)=C2Cl)CC1	REAL300013380329	0	38	0.0	-45.69	333.76	9.36	-36.33
CN(CC1=NC=C(Cl)C=C1Cl)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013380361	0	31	0.0	-46.06	292.06	8.04	-38.02
O=C([O-])C1(C(F)(F)F)CCN(C2=CC=[NH+]C3=CC=CC=C32)C1	REAL300013380383	0	35	0.0	-48.70	285.89	7.01	-41.69
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300013380391	0	38	0.0	-54.35	313.47	7.57	-46.78
CCC1=[NH+]C(C)=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013380397	1	37	0.0	-56.03	306.81	7.00	-49.03
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013380402	0	41	0.0	-43.64	335.02	7.91	-35.73
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013380402	1	41	0.0	-58.19	340.79	7.75	-50.44
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(NCC3CC3)=[NH+]C=N2)C1	REAL300013380412	0	40	0.0	-52.59	330.34	8.02	-44.57
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(NCC3CC3)=NC=[NH+]2)C1	REAL300013380412	1	40	0.0	-46.50	329.06	7.66	-38.84
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(N3CCCC3)=[NH+]C=N2)C1	REAL300013380425	0	40	0.0	-54.20	321.59	7.14	-47.06
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(N3CCCC3)=NC=[NH+]2)C1	REAL300013380425	1	40	0.0	-39.87	318.01	7.36	-32.51
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(N3CCCCC3)=[NH+]C=N2)C1	REAL300013380426	0	43	0.0	-56.03	336.69	8.09	-47.94
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(N3CCCCC3)=NC=[NH+]2)C1	REAL300013380426	1	43	0.0	-40.93	335.67	8.04	-32.89
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013380427	0	47	0.0	-42.45	367.33	5.32	-37.13
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013380427	1	47	0.0	-59.78	368.42	5.37	-54.41
CCCC1=[NH+]C2=CC=CC=C2C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300013380428	0	44	0.0	-51.44	355.91	9.47	-41.97
COC1=CC2=NC(N3CCC(C(=O)[O-])(C(F)(F)F)C3)=[NH+]C(N)=C2C=C1OC	REAL300013380462	0	44	0.0	-56.81	359.30	6.26	-50.55
O=C([O-])C1(C(F)(F)F)CCN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C1	REAL300013380477	0	38	0.0	-50.60	324.41	8.01	-42.59
O=C([O-])C1(C(F)(F)F)CCN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)C1	REAL300013380497	1	35	0.0	-49.92	308.85	8.00	-41.92
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013380500	1	32	0.0	-45.21	283.83	6.76	-38.45
CC(C)(C)C1=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=NC(C(C)(C)C)=[NH+]1	REAL300013380502	1	52	0.0	-45.82	398.78	10.17	-35.65
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013380512	0	41	0.0	-42.83	326.78	5.58	-37.25
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013380512	1	41	0.0	-57.80	327.81	5.64	-52.16
CC1=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013380522	1	43	0.0	-64.33	369.89	10.18	-54.15
CC1=CC2=[NH+]C(N3CCC(C(=O)[O-])(C(F)(F)F)C3)=CC(C)=C2C=C1	REAL300013380550	1	41	0.0	-43.41	330.54	8.81	-34.60
O=C([O-])C1(C(F)(F)F)CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)C1	REAL300013380574	1	35	0.0	-48.60	302.57	7.51	-41.09
O=C([O-])C1(C(F)(F)F)CCN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1	REAL300013380590	1	35	0.0	-48.74	307.13	7.61	-41.13
CN(C)C1=[NH+]C=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013380598	0	36	0.0	-54.37	295.84	8.37	-46.00
CCC1=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=NC(C)=[NH+]1	REAL300013380624	1	37	0.0	-54.35	307.67	7.01	-47.34
O=C([O-])C1(C(F)(F)F)CCN(C2=C3SC=CC3=[NH+]C=C2)C1	REAL300013380632	1	32	0.0	-59.69	283.58	6.10	-53.59
CC1=[NH+]C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C2C=CNC2=N1	REAL300013380641	0	35	0.0	-36.63	295.16	6.63	-30.00
CC1=C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)C2=CC=CC=C2[NH+]=C1	REAL300013380643	0	38	0.0	-54.12	300.62	7.69	-46.43
CC(O)CNC1=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=NC=[NH+]1	REAL300013380653	0	40	0.0	-52.69	331.06	3.95	-48.74
CC(O)CNC1=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=[NH+]C=N1	REAL300013380653	1	40	0.0	-48.04	330.03	3.54	-44.50
NC1=[NH+]C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=CC(N2C=CC=N2)=N1	REAL300013380664	0	37	0.0	-45.85	316.81	7.27	-38.58
CN(C)C1=CC=[NH+]C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013380666	0	36	0.0	-51.32	297.09	7.78	-43.54
O=C([O-])C1(C(F)(F)F)CCN(C2=[NH+]C=CC(N3CCOCC3)=N2)C1	REAL300013380672	0	41	0.0	-55.72	329.73	6.14	-49.58
COC1=CC=CC2=C(N3CCC(C(=O)[O-])(C(F)(F)F)C3)C=C(C)[NH+]=C12	REAL300013380680	1	42	0.0	-41.66	335.51	7.00	-34.66
CCC1=[NH+]C2=CC=CC=C2C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300013380690	0	41	0.0	-43.42	328.65	8.32	-35.10
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013380694	1	32	0.0	-45.21	283.83	6.76	-38.45
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013380704	1	44	0.0	-49.76	353.33	10.96	-38.80
CC(C)C1=NC(N(C)C)=NC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=[NH+]1	REAL300013380704	1	44	0.0	-41.06	354.25	11.21	-29.85
O=C([O-])C1(C(F)(F)F)CCN(C2=CC=[NH+]C(N3CCCCC3)=N2)C1	REAL300013380715	0	43	0.0	-58.19	339.04	8.63	-49.56
NC(=O)C1=C[NH+]=CC=C1N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013380725	0	33	0.0	-63.70	278.65	2.81	-60.89
CCC1=C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)C2=CC=CC=C2[NH+]=C1C	REAL300013380727	0	44	0.0	-53.75	338.17	8.85	-44.90
CC1=CC2=CC=CC=C2C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=[NH+]1	REAL300013380729	0	38	0.0	-42.88	307.10	8.66	-34.22
CC1=[NH+]C=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1Cl	REAL300013380730	0	32	0.0	-49.63	281.83	6.24	-43.39
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013380739	0	47	0.0	-42.26	365.58	4.49	-37.77
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013380739	1	47	0.0	-55.75	369.51	4.86	-50.89
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300013380743	0	40	0.0	-62.49	335.12	8.16	-54.33
CC1=[NH+]C2=CC=CC=C2C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1C	REAL300013380751	0	41	0.0	-52.69	317.16	8.10	-44.59
CC1=C2[NH+]=CC(C)=C(N3CCC(C(=O)[O-])(C(F)(F)F)C3)C2=CC=C1	REAL300013380759	0	41	0.0	-55.08	317.80	8.39	-46.69
O=C([O-])C1(C(F)(F)F)CCN(C2=CC=[NH+]C=C2Br)C1	REAL300013380760	1	29	0.0	-51.61	266.82	5.90	-45.71
CN1CCN(C2=CC(N3CCC(C(=O)[O-])(C(F)(F)F)C3)=[NH+]C=N2)CC1=O	REAL300013380761	0	44	0.0	-46.62	350.29	5.46	-41.16
CN1CCN(C2=CC(N3CCC(C(=O)[O-])(C(F)(F)F)C3)=NC=[NH+]2)CC1=O	REAL300013380761	1	44	0.0	-53.82	347.63	5.58	-48.24
CCOC(=O)C1=C[NH+]=CC=C1N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013380777	1	38	0.0	-75.63	320.60	7.43	-68.20
CCCCNC1=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=NC(N)=[NH+]1	REAL300013380814	0	44	0.0	-53.96	357.77	7.21	-46.75
CCCCNC1=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=[NH+]C(N)=N1	REAL300013380814	1	44	0.0	-34.20	356.20	7.04	-27.16
O=C([O-])C1(C(F)(F)F)CCN(C2=CC=[NH+]C=C2Br)C1	REAL300013380823	1	29	0.0	-51.61	266.82	5.90	-45.71
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013380831	0	47	0.0	-47.00	382.51	7.47	-39.53
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013380831	1	47	0.0	-43.59	384.23	7.58	-36.01
CC(C)NC1=NC(NCCO)=NC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=[NH+]1	REAL300013380831	1	47	0.0	-43.44	383.58	7.57	-35.87
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013380840	1	32	0.0	-45.21	283.83	6.76	-38.45
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013380845	0	49	0.0	-42.81	382.18	11.42	-31.39
CCNC1=NC(NC(C)(C)C)=NC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=[NH+]1	REAL300013380845	1	49	0.0	-41.88	385.41	11.81	-30.07
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013380845	1	49	0.0	-39.17	383.23	11.52	-27.65
CC(O)C1CCN(C2=CC(N3CCC(C(=O)[O-])(C(F)(F)F)C3)=[NH+]C=N2)C1	REAL300013380899	0	47	0.0	-41.32	363.33	4.79	-36.53
CC(O)C1CCN(C2=CC(N3CCC(C(=O)[O-])(C(F)(F)F)C3)=NC=[NH+]2)C1	REAL300013380899	1	47	0.0	-54.22	367.79	5.14	-49.08
O=C([O-])C1(C(F)(F)F)CCN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C1	REAL300013380902	1	38	0.0	-46.51	311.65	8.54	-37.97
CCCC1=CC2=C(N3CCC(C(=O)[O-])(C(F)(F)F)C3)C=C[NH+]=C2C=C1	REAL300013380906	0	44	0.0	-47.31	356.49	9.68	-37.63
CCC1=CC2=C(N3CCC(C(=O)[O-])(C(F)(F)F)C3)C=C[NH+]=C2C=C1	REAL300013380907	0	41	0.0	-47.32	334.99	8.91	-38.41
CC(C)OC1=CC2=C(N3CCC(C(=O)[O-])(C(F)(F)F)C3)C=C[NH+]=C2C=C1	REAL300013380911	0	45	0.0	-50.52	361.27	8.33	-42.19
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(NC3CC3)=[NH+]C=N2)C1	REAL300013380919	0	37	0.0	-57.09	308.92	7.12	-49.97
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(NC3CC3)=NC=[NH+]2)C1	REAL300013380919	1	37	0.0	-36.40	307.38	6.95	-29.45
CC1=[NH+]C2=CC=CC=C2C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300013380968	0	38	0.0	-44.82	307.22	7.58	-37.24
O=C([O-])C1(C(F)(F)F)CCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013381029	1	35	0.0	-49.85	313.41	8.10	-41.75
O=C([O-])C1(C(F)(F)F)CCN(C2=C3C=CNC3=NC=[NH+]2)C1	REAL300013381031	0	32	0.0	-50.23	273.20	6.65	-43.58
CCOC1=CC2=[NH+]C=CC(N3CCC(C(=O)[O-])(C(F)(F)F)C3)=C2C=C1OCC	REAL300013381050	0	49	0.0	-48.99	394.25	8.57	-40.42
CCC1=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013381052	1	43	0.0	-56.35	358.31	8.46	-47.89
CC(C)C1=[NH+]C=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013381062	1	37	0.0	-51.41	303.06	7.06	-44.35
O=C([O-])C1(C(F)(F)F)CCN(C2=[NH+]C=CC(N3CCCC3)=N2)C1	REAL300013381063	0	40	0.0	-53.93	320.99	7.85	-46.08
O=C([O-])C1(C(F)(F)F)CCN(C2=CC=[NH+]C3=CC(F)=CC=C32)C1	REAL300013381084	0	35	0.0	-48.81	292.28	7.08	-41.73
CC1=CC2=C(N3CCC(C(=O)[O-])(C(F)(F)F)C3)[NH+]=CC=C2C=C1	REAL300013381104	1	38	0.0	-38.16	313.61	9.15	-29.01
CC1=CC=CC2=C(N3CCC(C(=O)[O-])(C(F)(F)F)C3)[NH+]=CC=C12	REAL300013381105	1	38	0.0	-37.27	310.18	9.04	-28.23
CC1(C)CCCN(C2=CC=[NH+]C(N3CCC(C(=O)[O-])(C(F)(F)F)C3)=N2)C1	REAL300013381111	0	49	0.0	-54.85	374.36	9.95	-44.90
CC1=CC2=C(N3CCC(C(=O)[O-])(C(F)(F)F)C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013381116	0	48	0.0	-51.02	366.01	10.05	-40.97
CC1=CC(C(F)(F)F)=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=[NH+]1	REAL300013381120	0	35	0.0	-51.43	306.64	7.29	-44.14
O=C([O-])C1(C(F)(F)F)CCN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C1	REAL300013381122	1	40	0.0	-49.29	332.74	9.63	-39.66
COC1=CC2=[NH+]C=CC(N3CCC(C(=O)[O-])(C(F)(F)F)C3)=C2C=C1OC	REAL300013381127	0	43	0.0	-49.28	350.54	6.73	-42.55
COC1=C(N)[NH+]=CN=C1N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013381147	0	34	0.0	-55.05	290.59	4.15	-50.90
COC1=C(N)N=C[NH+]=C1N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013381147	1	34	0.0	-52.59	284.45	4.02	-48.57
O=C([O-])C1(C(F)(F)F)CCN(C2=C3SC=CC3=[NH+]C=C2)C1	REAL300013381159	1	32	0.0	-59.69	283.58	6.10	-53.59
O=C([O-])C1(C(F)(F)F)CCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013381176	0	44	0.0	-56.27	359.74	9.73	-46.54
CC1=[NH+]C2=C(Cl)C(C)=CC=C2C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300013381214	0	41	0.0	-45.00	340.11	8.66	-36.34
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013381217	0	43	0.0	-54.34	354.87	8.85	-45.49
CC1=NC(NC2=CC=CC=C2)=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=[NH+]1	REAL300013381217	1	43	0.0	-33.03	353.07	8.70	-24.33
CC1=[NH+]C=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1Br	REAL300013381221	0	32	0.0	-49.52	285.69	6.39	-43.13
CN(C)C1=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=NC=[NH+]1	REAL300013381223	0	36	0.0	-51.86	293.79	7.46	-44.40
CN(C)C1=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=[NH+]C=N1	REAL300013381223	1	36	0.0	-46.40	295.36	7.21	-39.19
CN(C1=CC=[NH+]C(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1)C1CCCCC1	REAL300013381224	0	49	0.0	-52.99	375.56	11.13	-41.86
CC1=CC(N(C)C(C)C)=NC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=[NH+]1	REAL300013381225	0	45	0.0	-46.49	355.49	9.77	-36.72
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=[NH+]1	REAL300013381229	0	46	0.0	-44.47	379.37	11.82	-32.65
CC1=CC(N2C=CC=N2)=NC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=[NH+]1	REAL300013381230	1	38	0.0	-50.53	325.18	8.83	-41.70
CC1=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013381233	0	45	0.0	-53.17	356.74	10.25	-42.92
CN(C1=[NH+]C=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1)C1CCCCC1	REAL300013381236	0	49	0.0	-56.14	375.85	11.74	-44.40
CC1=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013381238	1	46	0.0	-55.80	378.59	12.20	-43.60
CC1=CC=CC2=CC=[NH+]C(N3CCC(C(=O)[O-])(C(F)(F)F)C3)=C12	REAL300013381267	1	38	0.0	-36.80	305.51	10.47	-26.33
O=C([O-])C1(C(F)(F)F)CCN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)C1	REAL300013381296	0	39	0.0	-41.61	318.15	8.04	-33.57
O=C([O-])C1(C(F)(F)F)CCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013381297	0	39	0.0	-49.89	331.76	6.81	-43.08
CN(C)C1=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=NC(N(C)C)=[NH+]1	REAL300013381304	1	44	0.0	-51.42	350.18	9.70	-41.72
CN(C)C1=CC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)=[NH+]C(N(C)C)=N1	REAL300013381304	1	44	0.0	-32.45	350.57	9.52	-22.93
CC1=C(Cl)C2=[NH+]C=CC(N3CCC(C(=O)[O-])(C(F)(F)F)C3)=C2C=C1	REAL300013381314	1	38	0.0	-42.04	325.16	8.64	-33.40
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(C(O)C2=CC=CC=C2)C1	REAL300013381344	0	43	0.0	-51.62	331.03	8.25	-43.37
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013381366	0	39	0.0	-59.38	312.70	7.54	-51.84
CC1(C(=O)[O-])CN(C2=CC(N3CCSCC3)=[NH+]C=N2)CCO1	REAL300013381372	0	42	0.0	-62.74	328.93	6.61	-56.13
CC1(C(=O)[O-])CN(C2=CC(N3CCSCC3)=NC=[NH+]2)CCO1	REAL300013381372	1	42	0.0	-58.17	330.03	7.01	-51.16
CC1(C(=O)[O-])CN(C2=CC(N3CCCCC3)=[NH+]C=N2)CCO1	REAL300013381386	0	44	0.0	-61.31	327.24	7.48	-53.83
CC1(C(=O)[O-])CN(C2=CC(N3CCCCC3)=NC=[NH+]2)CCO1	REAL300013381386	1	44	0.0	-49.07	327.28	7.49	-41.58
CC1(C(=O)[O-])CN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)CCO1	REAL300013381387	0	48	0.0	-64.90	358.99	4.76	-60.14
CC1(C(=O)[O-])CN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)CCO1	REAL300013381387	1	48	0.0	-51.77	358.95	4.77	-47.00
CCCC1=[NH+]C2=CC=CC=C2C(N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013381388	0	45	0.0	-53.15	342.67	8.51	-44.64
COC1=CC2=NC(N3CCOC(C)(C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013381414	0	45	0.0	-66.86	350.18	5.80	-61.06
CC1(C(=O)[O-])CN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)CCO1	REAL300013381423	1	39	0.0	-59.04	316.97	7.42	-51.62
CC1(C(=O)[O-])CN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)CCO1	REAL300013381432	1	36	0.0	-59.31	295.18	6.92	-52.39
CC(C)(C)C1=[NH+]C(C(C)(C)C)=NC(N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013381434	1	53	0.0	-56.71	390.52	9.42	-47.29
CC1(C(=O)[O-])CN(C2=CC(N3CCOCC3)=[NH+]C=N2)CCO1	REAL300013381441	0	42	0.0	-62.47	319.24	4.55	-57.92
CC1(C(=O)[O-])CN(C2=CC(N3CCOCC3)=NC=[NH+]2)CCO1	REAL300013381441	1	42	0.0	-57.19	321.79	4.68	-52.51
CC1=CC(N2CCOC(C)(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013381446	1	44	0.0	-72.98	360.50	9.58	-63.40
CC1=CC2=[NH+]C(N3CCOC(C)(C(=O)[O-])C3)=CC(C)=C2C=C1	REAL300013381457	1	42	0.0	-48.50	321.07	8.33	-40.17
CC1(C(=O)[O-])CN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CCO1	REAL300013381474	1	36	0.0	-57.02	295.14	6.92	-50.10
CC1(C(=O)[O-])CN(C2=CC=[NH+]C3=CC(Br)=CC=C32)CCO1	REAL300013381483	1	36	0.0	-57.06	299.70	7.03	-50.03
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CCOC(C)(C(=O)[O-])C2)=C1C	REAL300013381509	0	42	0.0	-63.05	334.38	8.34	-54.71
CC1(C(=O)[O-])CN(C2=CC(N3C=CC=N3)=NC(N)=[NH+]2)CCO1	REAL300013381535	0	38	0.0	-55.77	310.57	6.36	-49.41
CC1(C(=O)[O-])CN(C2=[NH+]C=CC(N3CCOCC3)=N2)CCO1	REAL300013381538	0	42	0.0	-66.83	320.75	5.53	-61.30
COC1=CC=CC2=C(N3CCOC(C)(C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013381543	1	43	0.0	-50.46	328.09	6.42	-44.04
CCOC(=O)C1=C(N2CCOC(C)(C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013381544	1	48	0.0	-70.19	375.28	7.35	-62.84
CCOC(=O)C1=C(N2CCOC(C)(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013381545	1	51	0.0	-62.30	384.62	10.00	-52.30
CCC1=[NH+]C2=CC=CC=C2C(N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013381550	0	42	0.0	-52.97	321.14	7.73	-45.24
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013381558	1	45	0.0	-53.66	344.96	10.55	-43.11
CC1(C(=O)[O-])CN(C2=CC=[NH+]C(N3CCCCC3)=N2)CCO1	REAL300013381564	0	44	0.0	-66.20	329.64	8.03	-58.17
CCC1=C(N2CCOC(C)(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013381574	0	45	0.0	-58.91	333.59	8.46	-50.45
CC1(C(=O)[O-])CN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)CCO1	REAL300013381580	0	48	0.0	-52.06	357.16	3.94	-48.12
CC1(C(=O)[O-])CN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)CCO1	REAL300013381580	1	48	0.0	-60.71	360.12	4.26	-56.45
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013381585	0	41	0.0	-66.89	334.35	8.13	-58.76
CC1=[NH+]C2=CC=CC=C2C(N2CCOC(C)(C(=O)[O-])C2)=C1C	REAL300013381589	0	42	0.0	-58.54	313.14	7.79	-50.75
CC1=C2[NH+]=CC(C)=C(N3CCOC(C)(C(=O)[O-])C3)C2=CC=C1	REAL300013381596	0	42	0.0	-61.17	314.47	7.99	-53.18
CC1(C(=O)[O-])CN(C2=CC=[NH+]C=C2Br)CCO1	REAL300013381598	1	30	0.0	-65.00	260.40	5.31	-59.69
CN1CCN(C2=CC(N3CCOC(C)(C(=O)[O-])C3)=[NH+]C=N2)CC1=O	REAL300013381599	0	45	0.0	-57.09	343.92	5.48	-51.61
CN1CCN(C2=CC(N3CCOC(C)(C(=O)[O-])C3)=NC=[NH+]2)CC1=O	REAL300013381599	1	45	0.0	-72.04	344.36	5.43	-66.61
CC(C)C1OCCCC1NC1=CC(N2CCOC(C)(C(=O)[O-])C2)=NC=[NH+]1	REAL300013381610	0	54	0.0	-62.70	397.94	8.38	-54.32
CC(C)C1OCCCC1NC1=CC(N2CCOC(C)(C(=O)[O-])C2)=[NH+]C=N1	REAL300013381610	1	54	0.0	-50.16	395.54	8.23	-41.93
CC1(C(=O)[O-])CN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)CCO1	REAL300013381630	0	47	0.0	-60.57	367.30	9.26	-51.31
CC1(C(=O)[O-])CN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)CCO1	REAL300013381636	1	43	0.0	-48.21	346.61	9.36	-38.85
CCCCNC1=CC(N2CCOC(C)(C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013381643	0	45	0.0	-60.58	348.39	6.60	-53.98
CCCCNC1=CC(N2CCOC(C)(C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013381643	1	45	0.0	-50.25	349.35	6.10	-44.15
CC1(C(=O)[O-])CN(C2=CC=[NH+]C=C2Br)CCO1	REAL300013381650	1	30	0.0	-65.00	260.40	5.31	-59.69
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013381655	0	48	0.0	-56.83	376.59	6.19	-50.64
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013381655	1	48	0.0	-53.60	375.92	6.98	-46.62
CC(C)NC1=NC(NCCO)=NC(N2CCOC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013381655	1	48	0.0	-53.20	375.24	6.95	-46.25
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013381668	0	50	0.0	-55.89	379.20	10.48	-45.41
CCNC1=NC(NC(C)(C)C)=NC(N2CCOC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013381668	1	50	0.0	-52.29	377.10	11.19	-41.10
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013381668	1	50	0.0	-49.18	373.78	10.86	-38.32
CC(O)C1CCN(C2=CC(N3CCOC(C)(C(=O)[O-])C3)=NC=[NH+]2)C1	REAL300013381708	0	48	0.0	-60.33	358.42	4.54	-55.79
CC(O)C1CCN(C2=CC(N3CCOC(C)(C(=O)[O-])C3)=[NH+]C=N2)C1	REAL300013381708	1	48	0.0	-51.19	360.75	4.74	-46.45
CC1(C(=O)[O-])CN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)CCO1	REAL300013381710	1	39	0.0	-52.26	311.83	8.04	-44.22
CCCC1=CC2=C(N3CCOC(C)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013381713	0	45	0.0	-56.81	342.80	8.62	-48.19
CCC1=CC2=C(N3CCOC(C)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013381714	0	42	0.0	-56.72	321.30	7.84	-48.88
CC(C)OC1=CC2=C(N3CCOC(C)(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013381716	0	46	0.0	-59.37	347.62	7.28	-52.09
CC1(C(=O)[O-])CN(C2=CC=[NH+]C3=CC=C(Br)C=C32)CCO1	REAL300013381833	1	36	0.0	-59.20	299.73	7.03	-52.17
CCOC1=CC2=[NH+]C=CC(N3CCOC(C)(C(=O)[O-])C3)=C2C=C1OCC	REAL300013381851	0	50	0.0	-58.85	380.52	7.50	-51.35
CCC1=CC(N2CCOC(C)(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013381853	1	44	0.0	-64.80	348.91	7.86	-56.94
COC1=CC2=[NH+]C=CC(N3CCOC(C)(C(=O)[O-])C3)=C2C=C1Br	REAL300013381890	0	40	0.0	-59.52	328.16	6.39	-53.13
CC1(C)CCCN(C2=CC=[NH+]C(N3CCOC(C)(C(=O)[O-])C3)=N2)C1	REAL300013381899	0	50	0.0	-65.43	366.12	9.34	-56.09
CC1=CC2=C(N3CCOC(C)(C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013381904	0	49	0.0	-56.54	364.11	9.76	-46.78
CC1=CC(C(F)(F)F)=CC(N2CCOC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013381907	0	36	0.0	-57.30	299.99	6.44	-50.86
COC1=CC2=[NH+]C=CC(N3CCOC(C)(C(=O)[O-])C3)=C2C=C1OC	REAL300013381912	0	44	0.0	-59.13	336.85	5.66	-53.47
CC1(C(=O)[O-])CN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)CCO1	REAL300013381941	0	45	0.0	-68.26	351.72	9.14	-59.12
CC1=[NH+]C2=C(Cl)C(C)=CC=C2C(N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013381966	0	42	0.0	-49.39	332.77	8.15	-41.24
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013381968	0	44	0.0	-58.17	345.86	8.70	-49.47
CC1=NC(NC2=CC=CC=C2)=CC(N2CCOC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013381968	1	44	0.0	-51.55	346.38	7.78	-43.77
CC1=[NH+]C=CC(N2CCOC(C)(C(=O)[O-])C2)=C1Br	REAL300013381971	0	33	0.0	-58.79	271.82	5.40	-53.39
CN(C1=CC=[NH+]C(N2CCOC(C)(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013381973	0	50	0.0	-61.92	367.88	10.43	-51.49
CC1=CC(N(C)C(C)C)=NC(N2CCOC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013381974	0	46	0.0	-57.13	347.16	9.16	-47.97
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCOC(C)(C(=O)[O-])C2)=[NH+]1	REAL300013381977	0	47	0.0	-62.59	368.62	10.33	-52.26
CC1=CC(N2CCOC(C)(C(=O)[O-])C2)=NC(N(C)C(C)C)=[NH+]1	REAL300013381981	0	46	0.0	-60.63	347.30	9.65	-50.98
CN(C1=[NH+]C=CC(N2CCOC(C)(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013381984	0	50	0.0	-67.60	367.41	10.96	-56.64
CC1(C(=O)[O-])CN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)CCO1	REAL300013382029	0	40	0.0	-48.05	316.43	7.48	-40.57
CC1(C(=O)[O-])CN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)CCO1	REAL300013382030	0	40	0.0	-58.07	324.34	6.23	-51.84
CN(C)C1=CC(N2CCOC(C)(C(=O)[O-])C2)=NC(N(C)C)=[NH+]1	REAL300013382034	1	45	0.0	-58.12	339.79	9.07	-49.05
CN(C)C1=CC(N2CCOC(C)(C(=O)[O-])C2)=[NH+]C(N(C)C)=N1	REAL300013382034	1	45	0.0	-47.79	342.71	8.70	-39.09
CC1=C(Cl)C2=[NH+]C=CC(N3CCOC(C)(C(=O)[O-])C3)=C2C=C1	REAL300013382041	1	39	0.0	-52.67	311.48	7.57	-45.10
O=C([O-])C1=CC=C[NH+]=C1N1CCC[C@H](NC(=O)CC(F)(F)F)C1	REAL300013382043	0	39	0.0	-66.81	328.13	6.56	-60.25
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=CC=C(F)C=C2F)CC1	REAL300013382060	0	39	0.0	-47.28	318.94	10.55	-36.73
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1	REAL300013382086	0	46	0.0	-64.69	358.35	9.14	-55.55
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(CC1)OC(=O)NC1=CC=CC=C12	REAL300013382111	0	42	0.0	-44.50	333.54	7.67	-36.83
O=C([O-])C1=CC=C[NH+]=C1N1CC2CS(=O)(=O)CC2(C2=CC=CC=C2)C1	REAL300013382119	0	43	0.0	-61.07	333.15	8.47	-52.60
COC(=O)C(C)(C)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013382132	0	44	0.0	-59.86	331.13	9.01	-50.85
COC(=O)C1CCCC1C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013382138	0	48	0.0	-60.41	364.95	10.63	-49.78
O=C([O-])C1=CC=C[NH+]=C1N1CCC(N2C(=O)CCCC2=O)CC1	REAL300013382144	0	42	0.0	-58.55	324.40	7.84	-50.71
O=C([O-])C1=CC=C[NH+]=C1N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300013382178	1	39	0.0	-51.83	326.45	8.42	-43.41
COC(=O)CC1CCC2CN(C3=[NH+]C=CC=C3C(=O)[O-])CCC2C1	REAL300013382184	0	48	0.0	-56.31	357.49	10.35	-45.96
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(NS(=O)(=O)C2=CC=CC=C2)C1	REAL300013382212	0	44	0.0	-55.86	364.50	6.20	-49.66
COC(=O)C1(C2=CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)CCC1	REAL300013382217	0	43	0.0	-55.72	340.62	9.94	-45.78
COC(=O)C1(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)CCC1	REAL300013382223	0	45	0.0	-61.28	341.68	9.89	-51.39
CN1C=C[NH+]=C1C1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013382230	1	39	0.0	-61.11	329.27	8.77	-52.34
CN1C=C[NH+]=C1C1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013382231	1	42	0.0	-95.39	336.70	9.85	-85.54
CC[N@@H+]1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC12CCOC2	REAL300013382232	0	42	0.0	-62.96	326.89	6.23	-56.73
CC[N@H+]1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC12CCOC2	REAL300013382232	1	42	0.0	-63.27	326.47	6.36	-56.91
CC[N@@H+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC12CCOC2	REAL300013382233	0	45	0.0	-95.40	330.57	7.34	-88.06
CC[N@H+]1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC12CCOC2	REAL300013382233	1	45	0.0	-102.33	333.43	7.37	-94.96
COC(=O)C(C)(C)C1=CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013382253	0	42	0.0	-52.27	317.30	8.16	-44.11
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(C=CC(Br)=C2F)C1	REAL300013382267	0	33	0.0	-53.25	294.60	9.75	-43.50
O=C([O-])C1=CC=C[NH+]=C1N1CCCC2(C1)OCC1=CC=CC=C12	REAL300013382293	0	41	0.0	-57.00	323.85	9.25	-47.75
COC1=CC(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=CC(F)=C1F	REAL300013382299	0	43	0.0	-52.05	349.55	9.86	-42.19
COC1=CC=C(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)C=C1F	REAL300013382328	0	43	0.0	-50.45	343.31	9.80	-40.65
CN(CC1=CC=C(F)C(Br)=C1)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013382336	0	32	0.0	-50.37	292.51	9.35	-41.02
COC1=CC=CC(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=C1F	REAL300013382365	0	43	0.0	-62.79	341.94	9.75	-53.04
COC1=CC(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=CC=C1F	REAL300013382371	0	43	0.0	-54.59	343.31	9.79	-44.80
CCOC(=O)C1=NN(C)C2=C1CN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013382434	0	42	0.0	-55.44	346.66	8.34	-47.10
COC1=CC=C(S(=O)(=O)C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300013382462	0	46	0.0	-62.80	376.71	6.90	-55.90
C[NH+](C)CCCNS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300013382502	0	48	0.0	-79.48	398.05	4.41	-75.07
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1	REAL300013382513	1	29	0.0	-50.63	257.19	5.52	-45.11
CC1=[NH+]C2=CC=C(Br)C=C2C(N2CC(C(=O)[O-])C2)=C1C	REAL300013382529	0	35	0.0	-50.00	285.55	6.11	-43.89
CCOC(=O)C1=C(N2CC(C(=O)[O-])C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013382546	1	41	0.0	-64.13	329.64	5.96	-58.17
CCOC(=O)C1=C(N2CC(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013382547	1	44	0.0	-51.29	340.65	7.50	-43.79
O=C([O-])C1CN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C1	REAL300013382575	0	40	0.0	-54.03	328.64	8.40	-45.63
O=C([O-])C1CN(C2=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C23)C1	REAL300013382579	1	36	0.0	-39.53	307.59	8.32	-31.21
CCOC(=O)C1=C(C)C2=C(N3CC(C(=O)[O-])C3)N=C(C[NH+](C)C)N=C2S1	REAL300013382640	1	48	0.0	-57.35	391.16	9.09	-48.26
C[NH+](C)CCNS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300013382645	0	45	0.0	-80.77	376.55	3.63	-77.14
C[NH+](C)CC1=NC(N2CC(C(=O)[O-])C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013382696	1	46	0.0	-56.10	376.04	11.13	-44.97
O=C([O-])C1CN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013382697	1	29	0.0	-52.53	260.70	6.00	-46.53
CCOC1=CC2=[NH+]C=CC(N3CC(C(=O)[O-])C3)=C2C=C1OCC	REAL300013382707	0	43	0.0	-51.15	341.99	6.63	-44.52
COC1=CC2=[NH+]C=CC(N3CC(C(=O)[O-])C3)=C2C=C1Br	REAL300013382727	0	33	0.0	-52.62	289.20	5.37	-47.25
CC1=CC2=C(N3CC(C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013382732	0	42	0.0	-44.83	314.67	7.59	-37.24
O=C([O-])C1CN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013382772	0	33	0.0	-51.76	281.82	4.72	-47.04
COC1=CC=C(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])C2C)C=C1F	REAL300013382783	0	43	0.0	-53.45	336.42	9.71	-43.74
CN(C1=NC=C(C(=O)[O-])C=C1Cl)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300013382818	0	40	0.0	-65.50	339.88	6.30	-59.20
CN(C1=C2C=C(C(=O)[O-])N=C2NC=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300013382819	0	43	0.0	-101.85	341.16	7.52	-94.33
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=C(C1)NC1=CC=C(Br)C=C12	REAL300013382835	0	37	0.0	-53.76	322.22	9.78	-43.98
O=C([O-])C1=CC=C[NH+]=C1N1CCOC2(CCS(=O)(=O)CC2)CC1	REAL300013382843	0	43	0.0	-56.24	326.83	4.79	-51.45
O=C([O-])C1=CC=C[NH+]=C1N1CCOC2(CCSCC2)CC1	REAL300013382849	0	41	0.0	-46.64	313.53	8.65	-37.99
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=NOC(CO)=C2)CC1	REAL300013382916	0	39	0.0	-53.44	317.56	5.29	-48.15
COC1=CC=C(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)C=C1C	REAL300013382931	0	46	0.0	-53.03	357.16	10.47	-42.56
COC1=CC(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=CC=C1C	REAL300013382944	0	46	0.0	-53.06	357.17	10.47	-42.59
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300013382957	0	41	0.0	-42.49	322.58	7.95	-34.54
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC(Br)=C(Cl)C=C2C1	REAL300013382965	0	33	0.0	-39.25	292.41	9.25	-30.00
C[N@@H+]1CC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC12CCCC2	REAL300013382970	0	41	0.0	-61.43	320.23	8.47	-52.96
C[N@H+]1CC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC12CCCC2	REAL300013382970	1	41	0.0	-61.92	326.22	8.94	-52.98
C[N@@H+]1CC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC12CCCC2	REAL300013382971	0	44	0.0	-101.36	337.91	9.09	-92.27
C[N@H+]1CC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC12CCCC2	REAL300013382971	1	44	0.0	-101.43	338.25	9.09	-92.34
CC1(C)OC2(CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)NC1=O	REAL300013382975	0	41	0.0	-49.89	317.89	3.62	-46.27
CC1C(C2=CC=C(F)C(F)=C2)CCN1C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013382981	0	39	0.0	-53.24	313.41	10.46	-42.78
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300013382989	0	40	0.0	-51.37	324.98	7.64	-43.73
CC1=CC=CC(NC(=O)NCC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=C1	REAL300013382995	0	48	0.0	-62.23	385.06	8.16	-54.07
O=C([O-])C1=CC=C[NH+]=C1N1CCC2(C1)CCS(=O)(=O)CC2	REAL300013383001	0	39	0.0	-60.90	303.43	4.89	-56.01
O=C([O-])C1=CC=C[NH+]=C1N1CCC2=CC(O)=CC(Br)=C2C1	REAL300013383016	0	34	0.0	-51.68	297.70	6.73	-44.95
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300013383026	0	40	0.0	-61.63	323.46	7.60	-54.03
COC1=CC=CC=C1N1CC[NH+](CCCNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013383050	0	53	0.0	-82.76	412.24	8.21	-74.55
COC1=CC=CC=C1N1CC[NH+](CCCNC2=NC=CC=C2C(=O)[O-])CC1	REAL300013383051	0	53	0.0	-61.84	403.58	8.73	-53.11
COC1=CC=CC=C1N1CC[NH+](CCCNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013383052	0	53	0.0	-82.76	412.24	8.21	-74.55
COC1=CC=CC=C1N1CC[NH+](CCCNC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300013383053	0	53	0.0	-82.76	412.24	8.21	-74.55
CC1(CS(C)(=O)=O)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013383055	0	41	0.0	-55.57	316.49	5.72	-49.85
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(COC(F)(F)F)C1	REAL300013383061	0	36	0.0	-52.06	302.64	7.29	-44.77
O=C([O-])C1=CC=C[NH+]=C1N1CCCC(C2=CC=C(F)C(O)=C2)C1	REAL300013383067	0	40	0.0	-55.66	324.83	7.64	-48.02
COC(=O)C1(CNC2=[NH+]C=CC=C2C(=O)[O-])CC2CCC1CC2	REAL300013383096	0	45	0.0	-49.19	334.25	9.50	-39.69
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300013383102	0	36	0.0	-55.21	300.88	9.76	-45.45
COC1CC(C(=O)[O-])CN(C2=CC(C)=[NH+]C3=CC=C(F)C=C32)C1	REAL300013383118	0	42	0.0	-54.58	331.51	6.83	-47.75
COC1CC(C(=O)[O-])CN(C2=CC(N3CCSCC3)=[NH+]C=N2)C1	REAL300013383125	0	45	0.0	-63.72	352.13	7.01	-56.71
COC1CC(C(=O)[O-])CN(C2=CC(N3CCSCC3)=NC=[NH+]2)C1	REAL300013383125	1	45	0.0	-53.83	354.10	6.92	-46.91
COC1CC(C(=O)[O-])CN(C2=CC(NCC3CC3)=[NH+]C=N2)C1	REAL300013383134	0	44	0.0	-62.46	345.57	7.12	-55.34
COC1CC(C(=O)[O-])CN(C2=CC(NCC3CC3)=NC=[NH+]2)C1	REAL300013383134	1	44	0.0	-47.79	342.48	6.96	-40.83
COC1CC(C(=O)[O-])CN(C2=CC(N3CCCC3)=[NH+]C=N2)C1	REAL300013383145	0	44	0.0	-58.95	336.30	6.46	-52.49
COC1CC(C(=O)[O-])CN(C2=CC(N3CCCC3)=NC=[NH+]2)C1	REAL300013383145	1	44	0.0	-51.62	339.45	6.17	-45.45
COC1CC(C(=O)[O-])CN(C2=CC(N3CCCCC3)=[NH+]C=N2)C1	REAL300013383146	0	47	0.0	-59.82	351.37	7.40	-52.42
COC1CC(C(=O)[O-])CN(C2=CC(N3CCCCC3)=NC=[NH+]2)C1	REAL300013383146	1	47	0.0	-53.01	356.27	6.92	-46.09
COC1CC(C(=O)[O-])CN(C2=CC(N3CCCC(CO)C3)=[NH+]C=N2)C1	REAL300013383147	0	51	0.0	-62.40	382.60	4.65	-57.75
COC1CC(C(=O)[O-])CN(C2=CC(N3CCCC(CO)C3)=NC=[NH+]2)C1	REAL300013383147	1	51	0.0	-50.40	381.83	4.64	-45.76
CCCC1=[NH+]C2=CC=CC=C2C(N2CC(OC)CC(C(=O)[O-])C2)=C1	REAL300013383148	0	48	0.0	-51.56	368.02	8.29	-43.27
COC1=CC2=NC(N3CC(OC)CC(C(=O)[O-])C3)=[NH+]C(N)=C2C=C1OC	REAL300013383178	0	48	0.0	-65.01	373.85	5.74	-59.27
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC(C(F)(F)F)=CC=C32)C1	REAL300013383191	1	42	0.0	-61.19	347.33	7.77	-53.42
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC=C(Cl)C=C32)C1	REAL300013383204	1	39	0.0	-57.94	320.52	6.71	-51.23
COC1CC(C(=O)[O-])CN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013383207	1	36	0.0	-60.71	304.45	5.65	-55.06
COC1CC(C(=O)[O-])CN(C2=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N2)C1	REAL300013383208	1	56	0.0	-54.07	415.22	9.17	-44.90
COC1CC(C(=O)[O-])CN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013383216	0	45	0.0	-53.01	345.86	4.58	-48.43
COC1CC(C(=O)[O-])CN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013383216	1	45	0.0	-62.02	342.45	4.95	-57.07
COC1CC(C(=O)[O-])CN(C2=CC(C)=[NH+]C(C3=CC=C([N+](=O)[O-])C=C3)=N2)C1	REAL300013383223	1	47	0.0	-70.77	383.41	9.44	-61.33
COC1CC(C(=O)[O-])CN(C2=[NH+]C3=CC(C)=CC=C3C(C)=C2)C1	REAL300013383236	1	45	0.0	-46.69	350.86	8.18	-38.51
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)C1	REAL300013383254	1	39	0.0	-58.94	325.13	7.28	-51.66
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC(Br)=CC=C32)C1	REAL300013383267	1	39	0.0	-59.07	329.68	7.38	-51.69
COC1CC(C(=O)[O-])CN(C2=C(C)C(C)=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013383298	0	45	0.0	-59.90	360.13	8.12	-51.78
COC1CC(C(=O)[O-])CN(C2=C(C)C=[NH+]C3=CC=CC=C32)C1	REAL300013383311	0	42	0.0	-60.38	320.45	7.11	-53.27
COC1CC(C(=O)[O-])CN(C2=CC(NCC(C)O)=[NH+]C=N2)C1	REAL300013383321	0	44	0.0	-63.44	346.15	3.06	-60.38
COC1CC(C(=O)[O-])CN(C2=CC(NCC(C)O)=NC=[NH+]2)C1	REAL300013383321	1	44	0.0	-52.66	349.41	2.38	-50.28
COC1CC(C(=O)[O-])CN(C2=CC(N3C=CC=N3)=NC(N)=[NH+]2)C1	REAL300013383331	0	41	0.0	-53.10	336.21	6.13	-46.97
COC1CC(C(=O)[O-])CN(C2=[NH+]C=CC(N3CCOCC3)=N2)C1	REAL300013383336	0	45	0.0	-65.60	344.84	5.48	-60.12
COC1=CC=CC2=C(N3CC(OC)CC(C(=O)[O-])C3)C=C(C)[NH+]=C12	REAL300013383341	1	46	0.0	-49.28	350.93	6.27	-43.01
CCOC(=O)C1=C(N2CC(OC)CC(C(=O)[O-])C2)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013383342	1	54	0.0	-61.65	410.04	9.92	-51.73
CCC1=[NH+]C2=CC=CC=C2C(N2CC(OC)CC(C(=O)[O-])C2)=C1	REAL300013383353	0	45	0.0	-51.80	344.03	7.59	-44.21
COC1CC(C(=O)[O-])CN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013383357	1	36	0.0	-60.71	304.45	5.65	-55.06
COC1CC(C(=O)[O-])CN(C2=NC(C(C)C)=[NH+]C(N(C)C)=N2)C1	REAL300013383367	1	48	0.0	-52.43	367.99	10.44	-41.99
COC1CC(C(=O)[O-])CN(C2=[NH+]C(C(C)C)=NC(N(C)C)=N2)C1	REAL300013383367	1	48	0.0	-48.20	370.15	10.44	-37.76
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C(N3CCCCC3)=N2)C1	REAL300013383373	0	47	0.0	-65.13	353.70	7.95	-57.18
CCC1=C(N2CC(OC)CC(C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300013383386	0	48	0.0	-56.11	358.29	8.27	-47.84
COC1CC(C(=O)[O-])CN(C2=[NH+]C(C)=CC3=CC=CC=C32)C1	REAL300013383388	0	42	0.0	-48.64	330.35	8.21	-40.43
COC1CC(C(=O)[O-])CN(C2=CC(N3CCCCC3CO)=NC=[NH+]2)C1	REAL300013383394	0	51	0.0	-49.95	380.18	3.81	-46.14
COC1CC(C(=O)[O-])CN(C2=CC(N3CCCCC3CO)=[NH+]C=N2)C1	REAL300013383394	1	51	0.0	-57.53	384.89	4.01	-53.52
COC1CC(C(=O)[O-])CN(C2=CC(C)=[NH+]C3=CC=C([N+](=O)[O-])C=C32)C1	REAL300013383398	0	44	0.0	-67.78	358.45	8.03	-59.75
COC1CC(C(=O)[O-])CN(C2=C(C)C(C)=[NH+]C3=CC=CC=C32)C1	REAL300013383404	0	45	0.0	-55.61	337.44	7.48	-48.13
COC1CC(C(=O)[O-])CN(C2=C(C)C=[NH+]C3=C(C)C=CC=C32)C1	REAL300013383411	0	45	0.0	-58.59	338.49	7.87	-50.72
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C=C2Br)C1	REAL300013383413	1	33	0.0	-64.66	284.51	5.21	-59.45
COC1CC(C(=O)[O-])CN(C2=CC(N3CCN(C)C(=O)C3)=NC=[NH+]2)C1	REAL300013383414	0	48	0.0	-54.54	366.88	5.35	-49.19
COC1CC(C(=O)[O-])CN(C2=CC(N3CCN(C)C(=O)C3)=[NH+]C=N2)C1	REAL300013383414	1	48	0.0	-62.65	364.11	4.59	-58.06
COC1CC(C(=O)[O-])CN(C2=CC(NC3CCCOC3C(C)C)=[NH+]C=N2)C1	REAL300013383425	0	57	0.0	-59.78	422.77	8.13	-51.65
COC1CC(C(=O)[O-])CN(C2=CC(NC3CCCOC3C(C)C)=NC=[NH+]2)C1	REAL300013383425	1	57	0.0	-47.94	418.57	8.11	-39.83
CCOC(=O)C1=C[NH+]=CC=C1N1CC(OC)CC(C(=O)[O-])C1	REAL300013383427	1	42	0.0	-72.40	338.47	6.88	-65.52
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C32)C1	REAL300013383449	0	50	0.0	-57.86	393.34	9.07	-48.79
CCCCNC1=CC(N2CC(OC)CC(C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300013383464	0	48	0.0	-58.69	371.34	6.47	-52.22
CCCCNC1=CC(N2CC(OC)CC(C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300013383464	1	48	0.0	-45.04	368.96	6.31	-38.73
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C=C2Br)C1	REAL300013383472	1	33	0.0	-64.66	284.51	5.21	-59.45
COC1CC(C(=O)[O-])CN(C2=NC(NCCO)=[NH+]C(NC(C)C)=N2)C1	REAL300013383477	0	51	0.0	-54.91	398.52	6.82	-48.09
COC1CC(C(=O)[O-])CN(C2=[NH+]C(NCCO)=NC(NC(C)C)=N2)C1	REAL300013383477	1	51	0.0	-53.26	400.02	6.90	-46.36
COC1CC(C(=O)[O-])CN(C2=NC(NCCO)=NC(NC(C)C)=[NH+]2)C1	REAL300013383477	1	51	0.0	-50.25	400.05	6.71	-43.54
COC1CC(C(=O)[O-])CN(C2=CC(C(F)(F)F)=CC=[NH+]2)C1	REAL300013383487	1	36	0.0	-60.71	304.45	5.65	-55.06
CCNC1=[NH+]C(NC(C)(C)C)=NC(N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013383492	0	53	0.0	-53.50	400.42	11.10	-42.40
CCNC1=NC(NC(C)(C)C)=NC(N2CC(OC)CC(C(=O)[O-])C2)=[NH+]1	REAL300013383492	1	53	0.0	-49.48	401.85	10.96	-38.52
CCNC1=NC(NC(C)(C)C)=[NH+]C(N2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300013383492	1	53	0.0	-46.49	398.32	10.65	-35.84
COC1CC(C(=O)[O-])CN(C2=CC(N3CCC(C(C)O)C3)=[NH+]C=N2)C1	REAL300013383540	0	51	0.0	-57.38	384.42	4.29	-53.09
COC1CC(C(=O)[O-])CN(C2=CC(N3CCC(C(C)O)C3)=NC=[NH+]2)C1	REAL300013383540	1	51	0.0	-48.58	383.78	4.61	-43.97
COC1CC(C(=O)[O-])CN(C2=[NH+]C=NC3=C2C2=C(C=CC=C2)N3)C1	REAL300013383542	1	42	0.0	-52.31	337.45	7.96	-44.35
CCCC1=CC2=C(N3CC(OC)CC(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013383546	0	48	0.0	-55.40	368.16	8.40	-47.00
CCC1=CC2=C(N3CC(OC)CC(C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300013383547	0	45	0.0	-55.35	346.66	7.62	-47.73
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC=C(OC(C)C)C=C32)C1	REAL300013383550	0	49	0.0	-58.09	373.05	7.05	-51.04
COC1CC(C(=O)[O-])CN(C2=CC(C)=[NH+]C3=CC=CC=C32)C1	REAL300013383611	0	42	0.0	-52.69	322.61	6.85	-45.84
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013383679	1	39	0.0	-57.80	325.08	6.80	-51.00
CCOC1=CC2=[NH+]C=CC(N3CC(OC)CC(C(=O)[O-])C3)=C2C=C1OCC	REAL300013383699	0	53	0.0	-57.46	405.86	7.27	-50.19
CCC1=CC(N2CC(OC)CC(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013383701	1	47	0.0	-62.88	372.55	7.74	-55.14
COC1CC(C(=O)[O-])CN(C2=[NH+]C=CC(N3CCCC3)=N2)C1	REAL300013383713	0	44	0.0	-62.15	336.43	7.15	-55.00
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC(F)=CC=C32)C1	REAL300013383734	0	39	0.0	-59.20	314.83	6.85	-52.35
COC1=CC2=[NH+]C=CC(N3CC(OC)CC(C(=O)[O-])C3)=C2C=C1Br	REAL300013383748	0	43	0.0	-58.07	353.61	6.19	-51.88
COC1CC(C(=O)[O-])CN(C2=[NH+]C=CC3=CC=C(C)C=C32)C1	REAL300013383752	1	42	0.0	-46.86	325.24	7.96	-38.90
COC1CC(C(=O)[O-])CN(C2=[NH+]C=CC3=C(C)C=CC=C32)C1	REAL300013383753	1	42	0.0	-46.30	321.82	7.83	-38.47
COC1CC(C(=O)[O-])CN(C2=[NH+]C=CC(N3CCCC(C)(C)C3)=N2)C1	REAL300013383761	0	53	0.0	-63.36	389.75	9.28	-54.08
COC1CC(C(=O)[O-])CN(C2=C3CCCCC3=[NH+]C3=CC(F)=C(C)C=C32)C1	REAL300013383766	0	52	0.0	-54.50	388.07	9.64	-44.86
COC1CC(C(=O)[O-])CN(C2=CC(C(F)(F)F)=CC(C)=[NH+]2)C1	REAL300013383769	0	39	0.0	-48.10	320.25	6.67	-41.43
COC1CC(C(=O)[O-])CN(C2=CC(NC3=CC=CC=C3)=[NH+]C=N2)C1	REAL300013383771	1	44	0.0	-61.76	347.54	8.23	-53.53
COC1=CC2=[NH+]C=CC(N3CC(OC)CC(C(=O)[O-])C3)=C2C=C1OC	REAL300013383775	0	47	0.0	-57.77	362.08	5.43	-52.34
COC1CC(C(=O)[O-])CN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013383813	0	48	0.0	-66.68	375.86	9.08	-57.60
COC1CC(C(=O)[O-])CN(C2=CC(C)=[NH+]C3=C(Cl)C(C)=CC=C23)C1	REAL300013383843	0	45	0.0	-49.82	363.43	8.53	-41.29
COC1CC(C(=O)[O-])CN(C2=CC(NC3=CC=CC=C3)=[NH+]C(C)=N2)C1	REAL300013383845	0	47	0.0	-57.22	370.22	8.02	-49.20
COC1CC(C(=O)[O-])CN(C2=CC(NC3=CC=CC=C3)=NC(C)=[NH+]2)C1	REAL300013383845	1	47	0.0	-42.55	367.83	7.85	-34.70
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C(C)=C2Br)C1	REAL300013383848	0	36	0.0	-57.56	297.16	5.18	-52.38
COC1CC(C(=O)[O-])CN(C2=[NH+]C=CC(N(C)C3CCCCC3)=N2)C1	REAL300013383850	0	53	0.0	-59.06	392.60	10.21	-48.85
COC1CC(C(=O)[O-])CN(C2=[NH+]C(C)=CC(N(C)C(C)C)=N2)C1	REAL300013383851	0	49	0.0	-55.45	370.80	9.08	-46.37
COC1CC(C(=O)[O-])CN(C2=[NH+]C(C)=CC(N(C)C3=CC=CC=C3)=N2)C1	REAL300013383855	0	50	0.0	-53.37	394.71	11.14	-42.23
COC1CC(C(=O)[O-])CN(C2=[NH+]C(C)=CC(N3C=CC=N3)=N2)C1	REAL300013383856	1	42	0.0	-56.28	340.76	8.15	-48.13
COC1CC(C(=O)[O-])CN(C2=CC(C)=[NH+]C(N(C)C(C)C)=N2)C1	REAL300013383859	0	49	0.0	-58.85	370.28	9.51	-49.34
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C(N(C)C3CCCCC3)=N2)C1	REAL300013383862	0	53	0.0	-64.68	392.16	10.69	-53.99
COC1CC(C(=O)[O-])CN(C2=CC(C)=[NH+]C(N(C)C3=CC=CC=C3)=N2)C1	REAL300013383864	1	50	0.0	-61.08	393.96	11.35	-49.73
COC1CC(C(=O)[O-])CN(C2=[NH+]C=CC3=CC=CC(C)=C32)C1	REAL300013383887	1	42	0.0	-50.98	319.31	9.74	-41.24
COC1CC(C(=O)[O-])CN(C2=C3C=CNC3=NC(C3CC3)=[NH+]2)C1	REAL300013383912	0	43	0.0	-44.52	337.18	7.33	-37.19
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013383913	0	43	0.0	-60.37	354.33	6.58	-53.79
COC1CC(C(=O)[O-])CN(C2=CC(N(C)C)=[NH+]C(N(C)C)=N2)C1	REAL300013383918	1	48	0.0	-55.88	366.27	8.73	-47.15
COC1CC(C(=O)[O-])CN(C2=CC(N(C)C)=NC(N(C)C)=[NH+]2)C1	REAL300013383918	1	48	0.0	-45.95	366.70	8.58	-37.37
COC1CC(C(=O)[O-])CN(C2=CC=[NH+]C3=C(Cl)C(C)=CC=C23)C1	REAL300013383926	1	42	0.0	-51.23	336.80	7.34	-43.89
COC1=CC(F)=CC(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=C1	REAL300013383942	0	43	0.0	-51.23	343.50	9.78	-41.45
CCOC(=O)CC1CCC2(CC1)CCN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013383950	0	54	0.0	-56.50	393.47	11.72	-44.78
O=C([O-])C1=CC=CC(NC2C[N@H+](CC3=CC=CC=C3)C3(C2)CCOCC3)=N1	REAL300013383958	0	52	0.0	-78.71	388.19	9.06	-69.65
O=C([O-])C1=CC=CC(NC2C[N@@H+](CC3=CC=CC=C3)C3(C2)CCOCC3)=N1	REAL300013383958	1	52	0.0	-78.72	388.17	9.06	-69.66
O=C([O-])C1=CC=CN=C1NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300013383959	0	52	0.0	-52.43	380.09	9.74	-42.69
O=C([O-])C1=CC=CN=C1NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300013383959	1	52	0.0	-54.79	385.89	9.75	-45.04
O=C([O-])C1=CC=CC(NC2C[N@H+](CC3=CC=CC=C3)C3(C2)CCOCC3)=N1	REAL300013383960	0	52	0.0	-78.71	388.19	9.06	-69.65
O=C([O-])C1=CC=CC(NC2C[N@@H+](CC3=CC=CC=C3)C3(C2)CCOCC3)=N1	REAL300013383960	1	52	0.0	-78.72	388.17	9.06	-69.66
O=C([O-])C1=CC=CC(NC2C[N@H+](CC3=CC=CC=C3)C3(C2)CCOCC3)=N1	REAL300013383961	0	52	0.0	-78.71	388.19	9.06	-69.65
O=C([O-])C1=CC=CC(NC2C[N@@H+](CC3=CC=CC=C3)C3(C2)CCOCC3)=N1	REAL300013383961	1	52	0.0	-78.72	388.17	9.06	-69.66
C[N@@H+]1CC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC12CCOCC2	REAL300013383978	0	42	0.0	-63.53	329.77	6.64	-56.89
C[N@H+]1CC(NC2=NC=C(C(=O)[O-])C=C2Cl)CC12CCOCC2	REAL300013383978	1	42	0.0	-63.90	328.19	6.50	-57.40
C[N@@H+]1CC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC12CCOCC2	REAL300013383979	0	45	0.0	-103.57	341.37	6.83	-96.74
C[N@H+]1CC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)CC12CCOCC2	REAL300013383979	1	45	0.0	-103.52	341.38	6.84	-96.68
CCOC(=O)C1=C(C)N=C(CC2CCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)S1	REAL300013383987	0	47	0.0	-58.95	389.43	9.73	-49.22
O=C([O-])C1=CC=CC(N2CCOC[C@]3(COC[C@H]4CCCC[N@@H+]43)C2)=N1	REAL300013383992	1	50	0.0	-63.44	353.30	6.47	-56.97
O=C([O-])C1=CC=CC(N2CCOC[C@]3(COC[C@H]4CCCC[N@H+]43)C2)=N1	REAL300013383992	1	50	0.0	-72.65	344.06	6.98	-65.67
O=C([O-])C1=CC=CC(N2CCOC[C@]3(COC[C@H]4CCCC[N@@H+]43)C2)=N1	REAL300013383995	1	50	0.0	-63.44	353.30	6.47	-56.97
O=C([O-])C1=CC=CC(N2CCOC[C@]3(COC[C@H]4CCCC[N@H+]43)C2)=N1	REAL300013383995	1	50	0.0	-72.65	344.06	6.98	-65.67
O=C([O-])C1=CC=CC(N2CCOC[C@]3(COC[C@H]4CCCC[N@@H+]43)C2)=N1	REAL300013383996	1	50	0.0	-63.44	353.30	6.47	-56.97
O=C([O-])C1=CC=CC(N2CCOC[C@]3(COC[C@H]4CCCC[N@H+]43)C2)=N1	REAL300013383996	1	50	0.0	-72.65	344.06	6.98	-65.67
O=C([O-])C1=CC2=C(N3CCOC[C@]4(COC[C@H]5CCCC[N@@H+]54)C3)N=CNC2=N1	REAL300013383997	1	53	0.0	-96.29	366.77	8.66	-87.63
O=C([O-])C1=CC2=C(N3CCOC[C@]4(COC[C@H]5CCCC[N@H+]54)C3)N=CNC2=N1	REAL300013383997	1	53	0.0	-85.58	360.42	6.72	-78.86
CC1=CC(Br)=CC(C)=C1CN(C)C1=[NH+]C=CC=C1C(=O)[O-]	REAL300013384003	0	38	0.0	-50.16	312.76	10.07	-40.09
O=C([O-])C1=CC=CC(N2CCCC[C@H]([NH+]3CCOCC3)C2)=N1	REAL300013384037	0	45	0.0	-60.06	328.48	7.00	-53.06
O=C([O-])C1=CC=CN=C1N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300013384038	1	45	0.0	-55.80	329.03	7.72	-48.08
O=C([O-])C1=CC=CC(N2CCCC[C@H]([NH+]3CCOCC3)C2)=N1	REAL300013384040	0	45	0.0	-60.06	328.48	7.00	-53.06
O=C([O-])C1=CC=CC(N2CCCC[C@H]([NH+]3CCOCC3)C2)=N1	REAL300013384041	0	45	0.0	-60.06	328.48	7.00	-53.06
O=C([O-])C1=CC2=C(N3CCCC[C@H]([NH+]4CCOCC4)C3)N=CNC2=N1	REAL300013384042	0	48	0.0	-87.93	354.76	8.87	-79.06
COC(=O)C(C#N)C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013384044	0	39	0.0	-49.29	320.38	8.39	-40.90
CC1=CC=C(C[NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C=C1	REAL300013384057	0	44	0.0	-71.37	345.91	9.80	-61.57
CC1=CC=C(C[NH+]2CCN(C3=NC=CC=C3C(=O)[O-])CC2)C=C1	REAL300013384058	0	44	0.0	-54.66	346.27	10.67	-43.99
CC1=CC=C(C[NH+]2CCN(C3=NC=C(C(=O)[O-])C=C3Cl)CC2)C=C1	REAL300013384059	1	44	0.0	-65.62	364.01	10.30	-55.32
CC1=CC=C(C[NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C=C1	REAL300013384060	0	44	0.0	-71.37	345.91	9.80	-61.57
CC1=CC=C(C[NH+]2CCN(C3=CC=CC(C(=O)[O-])=N3)CC2)C=C1	REAL300013384061	0	44	0.0	-71.37	345.91	9.80	-61.57
CC1=CC=C(C[NH+]2CCN(C3=C4C=C(C(=O)[O-])N=C4NC=N3)CC2)C=C1	REAL300013384062	0	47	0.0	-103.16	370.94	11.63	-91.53
O=C([O-])CN1C(=O)NC2(CCN(C3=CC=[NH+]C4=CC=CC=C43)CC2)C1=O	REAL300013384078	0	44	0.0	-73.61	349.43	5.71	-67.90
CC1=[NH+]C2=CC=C(F)C=C2C(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=C1	REAL300013384084	0	47	0.0	-74.40	384.05	6.83	-67.57
CCC1=[NH+]C(C)=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=N1	REAL300013384090	1	46	0.0	-72.13	368.10	5.71	-66.42
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(NCC4CC4)=[NH+]C=N3)CC2)C1=O	REAL300013384104	0	49	0.0	-74.51	392.63	6.53	-67.98
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(NCC4CC4)=NC=[NH+]3)CC2)C1=O	REAL300013384104	1	49	0.0	-71.54	390.25	6.38	-65.16
CC1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=CC=[NH+]1	REAL300013384110	0	41	0.0	-73.48	328.28	4.09	-69.39
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(N4CCCC4)=[NH+]C=N3)CC2)C1=O	REAL300013384116	0	49	0.0	-72.19	382.93	5.85	-66.34
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(N4CCCC4)=NC=[NH+]3)CC2)C1=O	REAL300013384116	1	49	0.0	-71.70	381.18	6.04	-65.66
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(N4CCCCC4)=[NH+]C=N3)CC2)C1=O	REAL300013384117	0	52	0.0	-73.32	398.03	6.78	-66.54
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(N4CCCCC4)=NC=[NH+]3)CC2)C1=O	REAL300013384117	1	52	0.0	-72.33	398.04	6.78	-65.55
CCCC1=[NH+]C2=CC=CC=C2C(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=C1	REAL300013384119	0	53	0.0	-68.18	413.74	7.80	-60.38
O=C([O-])CN1C(=O)NC2(CCN(C3=CC=[NH+]C=C3Cl)CC2)C1=O	REAL300013384127	1	38	0.0	-77.95	320.88	4.09	-73.86
CC1=CC=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=[NH+]1	REAL300013384138	1	41	0.0	-69.90	328.05	4.91	-64.99
CC1=CC=[NH+]C(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=C1	REAL300013384165	1	41	0.0	-70.80	328.38	5.18	-65.62
O=C([O-])CN1C(=O)NC2(CCN(C3=CC=[NH+]C4=CC=C(Cl)C=C43)CC2)C1=O	REAL300013384175	1	44	0.0	-78.70	366.17	6.21	-72.49
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(C(F)(F)F)=CC=[NH+]3)CC2)C1=O	REAL300013384177	1	41	0.0	-77.10	346.18	5.52	-71.58
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(N4CCOCC4)=NC=[NH+]3)CC2)C1=O	REAL300013384187	0	50	0.0	-75.71	389.16	4.32	-71.39
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(N4CCOCC4)=[NH+]C=N3)CC2)C1=O	REAL300013384187	1	50	0.0	-75.01	389.13	4.33	-70.68
CC1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=NC(C)=[NH+]1	REAL300013384193	1	43	0.0	-72.30	347.56	4.98	-67.32
CC1=CC2=[NH+]C(N3CCC4(CC3)NC(=O)N(CC(=O)[O-])C4=O)=CC(C)=C2C=C1	REAL300013384222	1	50	0.0	-66.18	391.89	7.65	-58.53
O=C([O-])CN1C(=O)NC2(CCN(C3=CC=[NH+]C4=CC(Cl)=CC=C43)CC2)C1=O	REAL300013384246	1	44	0.0	-76.10	366.13	6.21	-69.89
CN(C)C1=[NH+]C=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=N1	REAL300013384265	0	45	0.0	-73.66	358.59	6.87	-66.79
CCC1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=NC(C)=[NH+]1	REAL300013384281	1	46	0.0	-71.07	369.03	5.71	-65.36
O=C([O-])CN1C(=O)NC2(CCN(C3=C4SC=CC4=[NH+]C=C3)CC2)C1=O	REAL300013384288	1	41	0.0	-71.80	338.29	4.22	-67.58
CC1=[NH+]C(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=C2C=CNC2=N1	REAL300013384296	0	44	0.0	-68.25	349.47	4.85	-63.40
CC1=C(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C2=CC=CC=C2[NH+]=C1	REAL300013384298	0	47	0.0	-71.88	365.25	6.62	-65.26
CC(O)CNC1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=NC=[NH+]1	REAL300013384304	0	49	0.0	-75.51	393.54	2.41	-73.10
CC(O)CNC1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=[NH+]C=N1	REAL300013384304	1	49	0.0	-74.07	390.90	2.31	-71.76
NC1=[NH+]C(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=CC(N2C=CC=N2)=N1	REAL300013384310	0	46	0.0	-73.39	377.98	5.98	-67.41
CN(C)C1=CC=[NH+]C(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=N1	REAL300013384313	0	45	0.0	-72.82	357.96	6.53	-66.29
O=C([O-])CN1C(=O)NC2(CCN(C3=[NH+]C=CC(N4CCOCC4)=N3)CC2)C1=O	REAL300013384318	0	50	0.0	-74.37	391.50	4.85	-69.52
COC1=CC=CC2=C(N3CCC4(CC3)NC(=O)N(CC(=O)[O-])C4=O)C=C(C)[NH+]=C12	REAL300013384326	1	51	0.0	-67.09	405.97	6.19	-60.90
CCC1=[NH+]C2=CC=CC=C2C(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=C1	REAL300013384337	0	50	0.0	-67.90	392.19	7.02	-60.88
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(C(F)(F)F)=CC=[NH+]3)CC2)C1=O	REAL300013384340	1	41	0.0	-77.10	346.18	5.52	-71.58
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=N1	REAL300013384349	1	53	0.0	-65.78	416.67	9.81	-55.97
CC(C)C1=NC(N(C)C)=NC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=[NH+]1	REAL300013384349	1	53	0.0	-65.26	416.21	9.95	-55.31
O=C([O-])CN1C(=O)NC2(CCN(C3=CC=[NH+]C(N4CCCCC4)=N3)CC2)C1=O	REAL300013384357	0	52	0.0	-74.77	400.37	7.33	-67.44
NC(=O)C1=C[NH+]=CC=C1N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013384364	0	42	0.0	-90.48	343.64	1.54	-88.94
CCC1=C(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C2=CC=CC=C2[NH+]=C1C	REAL300013384366	0	53	0.0	-67.84	402.51	7.77	-60.07
CC1=CC2=CC=CC=C2C(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=[NH+]1	REAL300013384368	0	47	0.0	-65.73	370.90	7.41	-58.32
CC1=[NH+]C=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=C1Cl	REAL300013384369	0	41	0.0	-77.16	339.57	4.60	-72.56
CC1=[NH+]C2=CC=CC=C2C(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=C1C	REAL300013384381	0	50	0.0	-67.72	382.08	7.13	-60.59
CC1=C2[NH+]=CC(C)=C(N3CCC4(CC3)NC(=O)N(CC(=O)[O-])C4=O)C2=CC=C1	REAL300013384389	0	50	0.0	-70.47	383.23	7.38	-63.09
O=C([O-])CN1C(=O)NC2(CCN(C3=CC=[NH+]C=C3Br)CC2)C1=O	REAL300013384390	1	38	0.0	-77.77	324.71	4.22	-73.55
CC1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=CC=[NH+]1	REAL300013384400	0	41	0.0	-73.48	328.28	4.09	-69.39
CCOC(=O)C1=C[NH+]=CC=C1N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013384403	1	47	0.0	-86.27	385.76	6.27	-80.00
CC1=C[NH+]=CC=C1N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013384414	0	41	0.0	-75.51	324.17	4.44	-71.07
CCCCNC1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=NC(N)=[NH+]1	REAL300013384430	0	53	0.0	-70.68	419.09	5.90	-64.78
CCCCNC1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=[NH+]C(N)=N1	REAL300013384430	1	53	0.0	-67.71	416.73	5.73	-61.98
O=C([O-])CN1C(=O)NC2(CCN(C3=CC=[NH+]C=C3Br)CC2)C1=O	REAL300013384434	1	38	0.0	-77.77	324.71	4.22	-73.55
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(C(F)(F)F)=CC=[NH+]3)CC2)C1=O	REAL300013384444	1	41	0.0	-77.10	346.18	5.52	-71.58
O=C([O-])CN1C(=O)NC2(CCN(C3=[NH+]C=NC4=C3C3=C(C=CC=C3)N4)CC2)C1=O	REAL300013384492	1	47	0.0	-71.30	375.36	7.24	-64.06
CCCC1=CC2=C(N3CCC4(CC3)NC(=O)N(CC(=O)[O-])C4=O)C=C[NH+]=C2C=C1	REAL300013384496	0	53	0.0	-74.01	413.82	7.91	-66.10
CCC1=CC2=C(N3CCC4(CC3)NC(=O)N(CC(=O)[O-])C4=O)C=C[NH+]=C2C=C1	REAL300013384497	0	50	0.0	-73.89	392.32	7.13	-66.76
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(NC4CC4)=[NH+]C=N3)CC2)C1=O	REAL300013384503	0	46	0.0	-72.52	370.37	5.82	-66.70
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(NC4CC4)=NC=[NH+]3)CC2)C1=O	REAL300013384503	1	46	0.0	-71.34	367.92	5.67	-65.67
CC1=[NH+]C2=CC=CC=C2C(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=C1	REAL300013384528	0	47	0.0	-69.09	370.79	6.28	-62.81
O=C([O-])CN1C(=O)NC2(CCN(C3=C4C=CNC4=NC=[NH+]3)CC2)C1=O	REAL300013384564	0	41	0.0	-71.60	327.93	4.94	-66.66
CC(C)C1=[NH+]C=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=N1	REAL300013384580	1	46	0.0	-73.37	363.63	5.39	-67.98
O=C([O-])CN1C(=O)NC2(CCN(C3=[NH+]C=CC(N4CCCC4)=N3)CC2)C1=O	REAL300013384581	0	49	0.0	-74.64	383.50	6.56	-68.08
CC1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=NC=[NH+]1	REAL300013384585	1	40	0.0	-75.47	325.99	5.07	-70.40
O=C([O-])CN1C(=O)NC2(CCN(C3=CC=[NH+]C4=CC(F)=CC=C43)CC2)C1=O	REAL300013384596	0	44	0.0	-76.37	355.84	5.78	-70.59
CC1=CC2=C(N3CCC4(CC3)NC(=O)N(CC(=O)[O-])C4=O)[NH+]=CC=C2C=C1	REAL300013384611	1	47	0.0	-70.20	370.93	7.48	-62.72
CC1=CC=CC2=C(N3CCC4(CC3)NC(=O)N(CC(=O)[O-])C4=O)[NH+]=CC=C12	REAL300013384612	1	47	0.0	-70.06	367.58	7.37	-62.69
CC1=CC(C(F)(F)F)=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=[NH+]1	REAL300013384618	0	44	0.0	-74.15	367.38	6.08	-68.07
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(NC4=CC=CC=C4)=[NH+]C=N3)CC2)C1=O	REAL300013384620	1	49	0.0	-74.89	394.65	7.64	-67.25
COC1=C(N)[NH+]=CN=C1N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013384644	0	43	0.0	-74.83	349.48	3.03	-71.80
COC1=C(N)N=C[NH+]=C1N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013384644	1	43	0.0	-70.96	348.54	2.82	-68.14
O=C([O-])CN1C(=O)NC2(CCN(C3=C4SC=CC4=[NH+]C=C3)CC2)C1=O	REAL300013384654	1	41	0.0	-71.80	338.29	4.22	-67.58
COC1=CC=C[NH+]=C1N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013384662	1	42	0.0	-75.09	340.64	3.83	-71.26
O=C([O-])CN1C(=O)NC2(CCN(C3=CC=[NH+]C(CO)=C3)CC2)C1=O	REAL300013384663	0	42	0.0	-75.16	337.49	0.91	-74.25
CC1=[NH+]C=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=C1Br	REAL300013384698	0	41	0.0	-77.09	342.88	4.70	-72.39
CN(C)C1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=NC=[NH+]1	REAL300013384699	0	45	0.0	-72.86	356.44	5.99	-66.87
CN(C)C1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=[NH+]C=N1	REAL300013384699	1	45	0.0	-71.15	355.86	5.93	-65.22
CC1=CC(N(C)C(C)C)=NC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=[NH+]1	REAL300013384700	0	54	0.0	-68.08	417.91	8.46	-59.62
CC1=CC(N2C=CC=N2)=NC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=[NH+]1	REAL300013384703	1	47	0.0	-71.99	386.79	7.70	-64.29
CC1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=NC(N(C)C(C)C)=[NH+]1	REAL300013384704	0	54	0.0	-69.01	418.05	8.94	-60.07
CC1=CC=CC2=CC=[NH+]C(N3CCC4(CC3)NC(=O)N(CC(=O)[O-])C4=O)=C12	REAL300013384733	1	47	0.0	-70.18	370.27	9.10	-61.08
CC1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=NC=[NH+]1	REAL300013384746	1	40	0.0	-75.47	325.99	5.07	-70.40
O=C([O-])CN1C(=O)NC2(CCN(C3=CC(CO)=CC=[NH+]3)CC2)C1=O	REAL300013384755	1	42	0.0	-72.56	339.82	1.83	-70.73
O=C([O-])CN1C(=O)NC2(CCN(C3=C4C=CNC4=NC(C4CC4)=[NH+]3)CC2)C1=O	REAL300013384759	0	48	0.0	-65.88	387.73	6.75	-59.13
CN(C)C1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=NC(N(C)C)=[NH+]1	REAL300013384765	1	53	0.0	-67.00	410.05	8.43	-58.57
CN(C)C1=CC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=[NH+]C(N(C)C)=N1	REAL300013384765	1	53	0.0	-65.20	409.50	8.18	-57.02
CN(C)C1=CC=C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2=C1	REAL300013384773	0	44	0.0	-41.35	321.48	10.41	-30.94
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013384793	1	41	0.0	-62.37	328.87	4.60	-57.77
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013384793	1	41	0.0	-62.57	316.10	4.92	-57.65
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013384794	0	44	0.0	-93.53	342.53	5.36	-88.17
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013384794	1	44	0.0	-97.54	325.16	6.00	-91.54
N#CC1=CC=CC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013384804	0	38	0.0	-57.76	317.38	7.60	-50.16
CC(C)[N@H+](C)C1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013384833	0	43	0.0	-64.10	331.33	8.36	-55.74
CC(C)[N@@H+](C)C1CCN(C2=NC=C(C(=O)[O-])C=C2Cl)CC1	REAL300013384833	1	43	0.0	-64.18	331.49	8.37	-55.81
CC(C)[N@H+](C)C1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013384834	0	46	0.0	-98.80	338.26	9.45	-89.35
CC(C)[N@@H+](C)C1CCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CC1	REAL300013384834	1	46	0.0	-98.27	338.24	9.45	-88.82
O=C([O-])C1=CC=CC(N2CCC[N@H+](CC3=CC(F)=CC=C3F)CC2)=N1	REAL300013384855	1	44	0.0	-71.35	347.95	10.14	-61.21
O=C([O-])C1=CC=CC(N2CCC[N@@H+](CC3=CC(F)=CC=C3F)CC2)=N1	REAL300013384855	1	44	0.0	-68.41	348.08	10.53	-57.88
O=C([O-])C1=CC=CN=C1N1CCC[N@H+](CC2=CC(F)=CC=C2F)CC1	REAL300013384856	1	44	0.0	-50.60	349.03	10.76	-39.84
O=C([O-])C1=CC=CN=C1N1CCC[N@@H+](CC2=CC(F)=CC=C2F)CC1	REAL300013384856	1	44	0.0	-55.56	349.78	11.06	-44.50
O=C([O-])C1=CC=CC(N2CCC[N@H+](CC3=CC(F)=CC=C3F)CC2)=N1	REAL300013384858	1	44	0.0	-71.35	347.95	10.14	-61.21
O=C([O-])C1=CC=CC(N2CCC[N@@H+](CC3=CC(F)=CC=C3F)CC2)=N1	REAL300013384858	1	44	0.0	-68.41	348.08	10.53	-57.88
O=C([O-])C1=CC=CC(N2CCC[N@H+](CC3=CC(F)=CC=C3F)CC2)=N1	REAL300013384859	1	44	0.0	-71.35	347.95	10.14	-61.21
O=C([O-])C1=CC=CC(N2CCC[N@@H+](CC3=CC(F)=CC=C3F)CC2)=N1	REAL300013384859	1	44	0.0	-68.41	348.08	10.53	-57.88
O=C([O-])C1=CC2=C(N3CCC[N@H+](CC4=CC(F)=CC=C4F)CC3)N=CNC2=N1	REAL300013384860	1	47	0.0	-103.32	374.71	12.23	-91.09
O=C([O-])C1=CC2=C(N3CCC[N@@H+](CC4=CC(F)=CC=C4F)CC3)N=CNC2=N1	REAL300013384860	1	47	0.0	-104.71	374.15	12.24	-92.47
C[NH+](C)CCC1CN(C2=NC=C(C(=O)[O-])C=C2Cl)CCO1	REAL300013384887	0	41	0.0	-64.43	338.14	6.74	-57.69
C[NH+](C)CCC1CN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)CCO1	REAL300013384888	0	44	0.0	-92.27	345.32	7.99	-84.28
COC1=CC=CC(C(=O)C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)=C1	REAL300013384893	1	45	0.0	-48.50	359.60	9.64	-38.86
C[C@@H]1CCN(C2=[NH+]C=CC=C2C(=O)[O-])C[C@@H]1C1=CC=C(O)C=C1	REAL300013384921	0	43	0.0	-52.90	325.83	7.71	-45.19
CN1C=NC(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+]2CCCC2)=C1	REAL300013384987	1	44	0.0	-64.70	338.70	9.83	-54.87
CN1C=NC(C(CNC2=NC=CC=C2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300013384988	1	44	0.0	-39.75	334.82	10.38	-29.37
CN1C=NC(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+]2CCCC2)=C1	REAL300013384990	1	44	0.0	-64.70	338.70	9.83	-54.87
CN1C=NC(C(CNC2=CC=CC(C(=O)[O-])=N2)[NH+]2CCCC2)=C1	REAL300013384991	1	44	0.0	-64.70	338.70	9.83	-54.87
CN1C=NC(C(CNC2=C3C=C(C(=O)[O-])N=C3NC=N2)[NH+]2CCCC2)=C1	REAL300013384992	0	47	0.0	-89.90	371.31	10.88	-79.02
CCC1=CSC(C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=N1	REAL300013385000	0	41	0.0	-50.49	337.94	9.00	-41.49
C[NH+](C)CC1=NC(N2CCC(C(=O)[O-])C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013386063	1	49	0.0	-53.91	397.03	12.03	-41.88
O=C([O-])C1CCN(C2=CC=[NH+]C3=CC=C(Br)C=C32)C1	REAL300013386064	1	32	0.0	-66.12	272.29	6.85	-59.27
CCOC1=CC2=[NH+]C=CC(N3CCC(C(=O)[O-])C3)=C2C=C1OCC	REAL300013386077	0	46	0.0	-63.41	353.12	7.34	-56.07
COC1=CC2=[NH+]C=CC(N3CCC(C(=O)[O-])C3)=C2C=C1Br	REAL300013386103	0	36	0.0	-66.88	300.77	6.22	-60.66
CC1(C)CCCN(C2=CC=[NH+]C(N3CCC(C(=O)[O-])C3)=N2)C1	REAL300013386110	0	46	0.0	-60.06	340.33	9.30	-50.76
CC1=CC2=C(N3CCC(C(=O)[O-])C3)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013386114	0	45	0.0	-51.61	337.01	9.56	-42.05
COC1=CC2=[NH+]C=CC(N3CCC(C(=O)[O-])C3)=C2C=C1OC	REAL300013386117	0	40	0.0	-63.42	309.39	5.49	-57.93
O=C([O-])C1CCN(C2=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300013386130	0	41	0.0	-61.17	325.98	8.86	-52.31
CC1=CC=C2C(N3CCC(C(=O)[O-])C3)=CC(C)=[NH+]C2=C1Cl	REAL300013386140	0	38	0.0	-49.70	305.31	7.97	-41.73
CN(C1=CC=[NH+]C(N2CCC(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013386146	0	46	0.0	-57.16	342.10	10.38	-46.78
CC1=CC(N(C)C2=CC=CC=C2)=NC(N2CCC(C(=O)[O-])C2)=[NH+]1	REAL300013386148	0	43	0.0	-58.34	343.39	10.19	-48.15
CN(C1=[NH+]C=CC(N2CCC(C(=O)[O-])C2)=N1)C1CCCCC1	REAL300013386149	0	46	0.0	-62.90	341.31	11.06	-51.84
CC1=CC(N2CCC(C(=O)[O-])C2)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013386151	1	43	0.0	-60.33	341.11	10.31	-50.02
O=C([O-])C1CCN(C2=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C32)C1	REAL300013386181	0	36	0.0	-54.18	304.77	6.63	-47.55
O=C([O-])C1=CN=C(NCC2CCCC3=[NH+]C=CN32)C(Cl)=C1	REAL300013386192	1	36	0.0	-59.93	304.41	8.60	-51.33
O=C([O-])C1=CC2=C(NCC3CCCC4=[NH+]C=CN43)N=CNC2=N1	REAL300013386193	1	39	0.0	-90.04	317.54	8.94	-81.10
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300013386195	0	52	0.0	-52.46	398.90	14.34	-38.12
CCOC(=O)C1=C2CN(C3=[NH+]C=CC=C3C(=O)[O-])CCC2=NN1C	REAL300013386199	0	42	0.0	-39.05	330.89	7.48	-31.57
CC1(C2=NC(C3=NC=CC=N3)=NO2)CCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013386213	0	42	0.0	-67.90	350.93	6.08	-61.82
COC(=O)C1(C(F)F)CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013386221	0	38	0.0	-47.22	309.35	8.18	-39.04
C[NH+](C)[C@H]1CCCCN(C2=C3C=C(C(=O)[O-])N=C3NC=N2)C1	REAL300013386230	0	43	0.0	-105.93	321.10	9.40	-96.53
COC(=O)[C@@H]1COCC[C@@H]1C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300013386244	0	49	0.0	-48.70	365.20	8.64	-40.06
CC1=CC(=O)OC2=CC(OCC3CCN(C4=[NH+]C=CC=C4C(=O)[O-])CC3)=CC=C12	REAL300013386252	0	51	0.0	-58.19	406.41	12.33	-45.86
CC1(C)NC(=O)OC12CCN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013386266	0	41	0.0	-45.11	311.17	5.03	-40.08
O=C([O-])C1=CC=C[NH+]=C1N1C[C@@H](O)[C@@H](O)CC2(CCOCC2)C1	REAL300013386302	0	45	0.0	-44.89	314.72	1.88	-43.01
CC1(C)CC(NC2=CC=CC(C(=O)[O-])=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300013386371	0	47	0.0	-76.23	360.89	9.81	-66.42
CC1(C)CC(NC2=CC=CC(C(=O)[O-])=N2)C[N@H+]1CC1=CC=CC=C1	REAL300013386371	1	47	0.0	-75.80	362.12	9.83	-65.97
CC1(C)CC(NC2=NC=CC=C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013386372	0	47	0.0	-54.10	357.23	10.46	-43.64
CC1(C)CC(NC2=NC=CC=C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013386372	1	47	0.0	-54.31	358.90	10.48	-43.83
CC1(C)CC(NC2=NC=C(C(=O)[O-])C=C2Cl)C[N@@H+]1CC1=CC=CC=C1	REAL300013386373	0	47	0.0	-64.11	373.39	10.92	-53.19
CC1(C)CC(NC2=NC=C(C(=O)[O-])C=C2Cl)C[N@H+]1CC1=CC=CC=C1	REAL300013386373	1	47	0.0	-63.46	378.26	10.82	-52.64
CC1(C)CC(NC2=CC=CC(C(=O)[O-])=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300013386374	0	47	0.0	-76.23	360.89	9.81	-66.42
CC1(C)CC(NC2=CC=CC(C(=O)[O-])=N2)C[N@H+]1CC1=CC=CC=C1	REAL300013386374	1	47	0.0	-75.80	362.12	9.83	-65.97
CC1(C)CC(NC2=CC=CC(C(=O)[O-])=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300013386375	0	47	0.0	-76.23	360.89	9.81	-66.42
CC1(C)CC(NC2=CC=CC(C(=O)[O-])=N2)C[N@H+]1CC1=CC=CC=C1	REAL300013386375	1	47	0.0	-75.80	362.12	9.83	-65.97
CC1(C)CC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300013386376	0	50	0.0	-100.36	391.37	11.16	-89.20
CC1(C)CC(NC2=C3C=C(C(=O)[O-])N=C3NC=N2)C[N@H+]1CC1=CC=CC=C1	REAL300013386376	1	50	0.0	-100.32	391.45	11.15	-89.17
CN(C1=[NH+]C=CC=C1C(=O)[O-])[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300013386380	0	45	0.0	-51.06	343.66	11.31	-39.75
CCOC(=O)C1=NOC2=C1CN(C1=[NH+]C=CC=C1C(=O)[O-])CC2	REAL300013386394	0	38	0.0	-37.95	309.38	7.37	-30.58
COC(=O)C1=C(C2CCCN(C3=[NH+]C=CC=C3C(=O)[O-])C2)OC=N1	REAL300013386400	0	41	0.0	-61.20	338.87	5.90	-55.30
CCCC[C@@H](NC1=CC(N2CCSCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013386408	0	43	0.0	-41.30	345.32	9.09	-32.21
CCCC[C@@H](NC1=CC(N2CCSCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013386408	1	43	0.0	-45.62	344.53	8.60	-37.02
CCCC[C@@H](NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013386414	0	49	0.0	-42.59	377.54	6.48	-36.11
CCCC[C@@H](NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013386414	1	49	0.0	-49.30	375.21	6.32	-42.98
CCCC[C@@H](NC1=NC2=CC(OC)=C(OC)C=C2C(N)=[NH+]1)C(=O)[O-]	REAL300013386426	0	46	0.0	-37.85	366.65	7.79	-30.06
CCCC[C@@H](NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013386430	0	40	0.0	-42.45	336.75	9.28	-33.17
CCCC[C@@H](NC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013386470	1	37	0.0	-41.22	319.47	8.88	-32.34
CCCC[C@@H](NC1=CC(C)=[NH+]C2=C(OC)C=CC=C12)C(=O)[O-]	REAL300013386494	1	44	0.0	-37.18	347.95	8.27	-28.91
CCCC[C@@H](NC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013386506	0	49	0.0	-41.19	375.85	5.66	-35.53
CCCC[C@@H](NC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013386506	1	49	0.0	-47.48	376.87	5.81	-41.67
CCCC[C@@H](NC1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013386516	0	46	0.0	-50.25	362.59	7.18	-43.07
CCCC[C@@H](NC1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013386516	1	46	0.0	-56.73	360.54	6.95	-49.78
CCCC[C@@H](NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013386533	0	48	0.0	-45.23	386.98	11.12	-34.11
CCCC[C@@H](NC1=[NH+]C(NCCO)=NC(NC(C)C)=N1)C(=O)[O-]	REAL300013386545	0	49	0.0	-30.97	392.60	8.97	-22.00
CCCC[C@@H](NC1=NC(NCCO)=NC(NC(C)C)=[NH+]1)C(=O)[O-]	REAL300013386545	1	49	0.0	-29.25	391.94	8.95	-20.30
CCCC[C@@H](NC1=NC(NCCO)=[NH+]C(NC(C)C)=N1)C(=O)[O-]	REAL300013386545	1	49	0.0	-44.35	392.15	9.01	-35.34
CCCC[C@@H](NC1=[NH+]C(NCC)=NC(NC(C)(C)C)=N1)C(=O)[O-]	REAL300013386552	0	51	0.0	-28.14	393.53	13.24	-14.90
CCCC[C@@H](NC1=NC(NCC)=NC(NC(C)(C)C)=[NH+]1)C(=O)[O-]	REAL300013386552	1	51	0.0	-27.61	390.75	12.91	-14.70
CCCC[C@@H](NC1=NC(NCC)=[NH+]C(NC(C)(C)C)=N1)C(=O)[O-]	REAL300013386552	1	51	0.0	-42.89	395.61	13.34	-29.55
CCCC[C@@H](NC1=CC(N(C)C2=CC=CC=C2)=NC=[NH+]1)C(=O)[O-]	REAL300013386556	1	45	0.0	-42.81	364.72	11.77	-31.04
CCCC[C@@H](NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12)C(=O)[O-]	REAL300013386569	1	37	0.0	-43.83	320.96	8.79	-35.04
CCCC[C@@H](NC1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013386570	0	49	0.0	-41.62	375.24	6.76	-34.86
CCCC[C@@H](NC1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013386570	1	49	0.0	-48.66	376.18	6.08	-42.58
CCCC[C@@H](NC1=CC=[NH+]C2=CC=C(CCC)C=C12)C(=O)[O-]	REAL300013386573	0	46	0.0	-42.26	362.55	10.47	-31.79
CCCC[C@@H](NC1=CC=[NH+]C2=CC=C(OC(C)C)C=C12)C(=O)[O-]	REAL300013386575	0	47	0.0	-45.48	367.67	9.07	-36.41
CCCC[C@@H](NC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013386658	1	54	0.0	-49.50	432.36	12.79	-36.71
CCCC[C@@H](NC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013386659	1	37	0.0	-43.85	319.49	8.89	-34.96
CCCC[C@@H](NC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013386664	1	37	0.0	-37.72	316.83	8.97	-28.75
CCCC[C@@H](NC1=CC=[NH+]C2=CC(OCC)=C(OCC)C=C12)C(=O)[O-]	REAL300013386671	0	51	0.0	-44.42	400.57	9.31	-35.11
CCCC[C@@H](NC1=CC=[NH+]C2=CC(OC)=C(Br)C=C12)C(=O)[O-]	REAL300013386698	0	41	0.0	-44.19	347.97	8.24	-35.95
CCCC[C@@H](NC1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)C(=O)[O-]	REAL300013386705	0	51	0.0	-36.39	383.98	10.87	-25.52
CCCC[C@@H](NC1=CC=[NH+]C2=CC(OC)=C(OC)C=C12)C(=O)[O-]	REAL300013386713	0	45	0.0	-44.82	356.86	7.47	-37.35
CCCC[C@@H](NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013386729	0	46	0.0	-36.24	368.20	11.13	-25.11
CCCC[C@@H](NC1=CC(NC2=CC=CC=C2)=[NH+]C(C)=N1)C(=O)[O-]	REAL300013386747	1	45	0.0	-39.37	362.30	10.21	-29.16
CCCC[C@@H](NC1=CC(NC2=CC=CC=C2)=NC(C)=[NH+]1)C(=O)[O-]	REAL300013386747	1	45	0.0	-38.75	363.66	10.71	-28.04
CCCC[C@@H](NC1=CC=[NH+]C(C)=C1Br)C(=O)[O-]	REAL300013386749	0	34	0.0	-44.35	292.18	7.25	-37.10
CCCC[C@@H](NC1=[NH+]C=CC(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013386751	0	51	0.0	-35.33	383.70	12.54	-22.79
CCCC[C@@H](NC1=[NH+]C(C)=CC(N(C)C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300013386754	0	48	0.0	-31.03	387.78	13.19	-17.84
CCCC[C@@H](NC1=CC=[NH+]C(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013386757	0	51	0.0	-42.75	383.93	12.45	-30.30
CCCC[C@@H](NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013386781	0	41	0.0	-42.07	344.11	8.07	-34.00
CCCC[C@@H](NC1=CC=[NH+]C2=C(Cl)C(C)=CC=C12)C(=O)[O-]	REAL300013386786	1	40	0.0	-37.81	331.47	9.38	-28.43
CCCC[C@H](NC1=CC(N2CCSCC2)=NC=[NH+]1)C(=O)[O-]	REAL300013386790	0	43	0.0	-43.36	345.29	9.08	-34.28
CCCC[C@H](NC1=CC(N2CCSCC2)=[NH+]C=N1)C(=O)[O-]	REAL300013386790	1	43	0.0	-45.45	344.54	8.61	-36.84
CCCC[C@H](NC1=CC(N2CCCC(CO)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013386796	0	49	0.0	-45.23	377.59	6.48	-38.75
CCCC[C@H](NC1=CC(N2CCCC(CO)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013386796	1	49	0.0	-46.87	375.45	6.28	-40.59
CCCC[C@H](NC1=NC2=CC(OC)=C(OC)C=C2C(N)=[NH+]1)C(=O)[O-]	REAL300013386808	0	46	0.0	-37.89	366.66	7.78	-30.11
CCCC[C@H](NC1=CC=[NH+]C2=CC(C(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013386812	0	40	0.0	-42.46	336.76	9.28	-33.18
CCCC[C@H](NC1=CC=[NH+]C2=CC(Br)=CC=C12)C(=O)[O-]	REAL300013386852	1	37	0.0	-41.20	319.48	8.88	-32.32
CCCC[C@H](NC1=CC(C)=[NH+]C2=C(OC)C=CC=C12)C(=O)[O-]	REAL300013386876	1	44	0.0	-37.22	347.97	8.27	-28.95
CCCC[C@H](NC1=CC(N2CCCCC2CO)=NC=[NH+]1)C(=O)[O-]	REAL300013386888	0	49	0.0	-42.16	375.32	5.62	-36.54
CCCC[C@H](NC1=CC(N2CCCCC2CO)=[NH+]C=N1)C(=O)[O-]	REAL300013386888	1	49	0.0	-47.02	376.12	5.82	-41.20
CCCC[C@H](NC1=CC(N2CCN(C)C(=O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013386898	0	46	0.0	-50.87	362.86	7.14	-43.73
CCCC[C@H](NC1=CC(N2CCN(C)C(=O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013386898	1	46	0.0	-39.83	355.84	6.34	-33.49
CCCC[C@H](NC1=CC=[NH+]C2=CC=C(OC3=CC=CC=C3)C=C12)C(=O)[O-]	REAL300013386915	0	48	0.0	-44.73	388.61	11.17	-33.56
CCCC[C@H](NC1=[NH+]C(NCCO)=NC(NC(C)C)=N1)C(=O)[O-]	REAL300013386927	0	49	0.0	-28.60	391.79	8.94	-19.66
CCCC[C@H](NC1=NC(NCCO)=NC(NC(C)C)=[NH+]1)C(=O)[O-]	REAL300013386927	1	49	0.0	-30.12	391.69	9.00	-21.12
CCCC[C@H](NC1=NC(NCCO)=[NH+]C(NC(C)C)=N1)C(=O)[O-]	REAL300013386927	1	49	0.0	-46.09	392.44	8.98	-37.11
CCCC[C@H](NC1=[NH+]C(NCC)=NC(NC(C)(C)C)=N1)C(=O)[O-]	REAL300013386934	0	51	0.0	-28.10	393.78	13.18	-14.92
CCCC[C@H](NC1=NC(NCC)=NC(NC(C)(C)C)=[NH+]1)C(=O)[O-]	REAL300013386934	1	51	0.0	-27.93	390.88	12.92	-15.01
CCCC[C@H](NC1=NC(NCC)=[NH+]C(NC(C)(C)C)=N1)C(=O)[O-]	REAL300013386934	1	51	0.0	-41.72	392.05	12.92	-28.80
CCCC[C@H](NC1=CC(N(C)C2=CC=CC=C2)=NC=[NH+]1)C(=O)[O-]	REAL300013386938	1	45	0.0	-42.71	364.18	11.73	-30.98
CCCC[C@H](NC1=CC=[NH+]C2=CC(F)=C(Cl)C=C12)C(=O)[O-]	REAL300013386951	1	37	0.0	-43.51	320.73	8.83	-34.68
CCCC[C@H](NC1=CC(N2CCC(C(C)O)C2)=NC=[NH+]1)C(=O)[O-]	REAL300013386952	0	49	0.0	-45.26	377.35	6.68	-38.58
CCCC[C@H](NC1=CC(N2CCC(C(C)O)C2)=[NH+]C=N1)C(=O)[O-]	REAL300013386952	1	49	0.0	-48.70	376.18	6.09	-42.61
CCCC[C@H](NC1=CC=[NH+]C2=CC=C(CCC)C=C12)C(=O)[O-]	REAL300013386955	0	46	0.0	-41.86	362.03	10.45	-31.41
CCCC[C@H](NC1=CC=[NH+]C2=CC=C(OC(C)C)C=C12)C(=O)[O-]	REAL300013386957	0	47	0.0	-44.68	366.91	9.10	-35.58
CCCC[C@H](NC1=C2C(C3=CC=CC=C3)=CSC2=NC(C[NH+](C)C)=N1)C(=O)[O-]	REAL300013387040	1	54	0.0	-56.66	438.87	13.03	-43.63
CCCC[C@H](NC1=CC=[NH+]C2=CC=C(Br)C=C12)C(=O)[O-]	REAL300013387041	1	37	0.0	-43.50	318.94	8.87	-34.63
CCCC[C@H](NC1=CC=[NH+]C2=C(Br)C=CC=C12)C(=O)[O-]	REAL300013387046	1	37	0.0	-38.00	317.10	8.94	-29.06
CCCC[C@H](NC1=CC=[NH+]C2=CC(OCC)=C(OCC)C=C12)C(=O)[O-]	REAL300013387053	0	51	0.0	-44.41	400.57	9.32	-35.09
CCCC[C@H](NC1=CC=[NH+]C2=CC(OC)=C(Br)C=C12)C(=O)[O-]	REAL300013387080	0	41	0.0	-44.48	348.20	8.20	-36.28
CCCC[C@H](NC1=[NH+]C=CC(N2CCCC(C)(C)C2)=N1)C(=O)[O-]	REAL300013387087	0	51	0.0	-36.06	383.44	10.81	-25.25
CCCC[C@H](NC1=CC=[NH+]C2=CC(OC)=C(OC)C=C12)C(=O)[O-]	REAL300013387095	0	45	0.0	-44.19	356.08	7.50	-36.69
CCCC[C@H](NC1=[NH+]C=CC(N2CC3=CC=CC=C3C2)=N1)C(=O)[O-]	REAL300013387111	0	46	0.0	-37.53	368.44	11.11	-26.42
CCCC[C@H](NC1=CC(NC2=CC=CC=C2)=[NH+]C(C)=N1)C(=O)[O-]	REAL300013387129	1	45	0.0	-38.72	361.53	10.24	-28.48
CCCC[C@H](NC1=CC(NC2=CC=CC=C2)=NC(C)=[NH+]1)C(=O)[O-]	REAL300013387129	1	45	0.0	-38.03	363.12	10.68	-27.35
CCCC[C@H](NC1=CC=[NH+]C(C)=C1Br)C(=O)[O-]	REAL300013387131	0	34	0.0	-44.60	292.42	7.20	-37.40
CCCC[C@H](NC1=[NH+]C=CC(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013387133	0	51	0.0	-34.36	384.56	12.41	-21.95
CCCC[C@H](NC1=[NH+]C(C)=CC(N(C)C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300013387136	0	48	0.0	-33.56	385.08	12.34	-21.22
CCCC[C@H](NC1=CC=[NH+]C(N(C)C2CCCCC2)=N1)C(=O)[O-]	REAL300013387139	0	51	0.0	-42.20	383.17	12.48	-29.72
CCCC[C@H](NC1=CC=[NH+]C2=CC(OC(F)(F)F)=CC=C12)C(=O)[O-]	REAL300013387163	0	41	0.0	-42.32	344.36	8.03	-34.29
CCCC[C@H](NC1=CC=[NH+]C2=C(Cl)C(C)=CC=C12)C(=O)[O-]	REAL300013387168	1	40	0.0	-37.83	331.49	9.39	-28.44
CN1C=C[NH+]=C1[C@H]1C[C@H]2CC[C@@H](C1)N2C1=NC=C(C(=O)[O-])C=C1Cl	REAL300013387181	1	43	0.0	-68.10	313.18	8.85	-59.25
CN1C=C[NH+]=C1[C@H]1C[C@H]2CC[C@@H](C1)N2C1=C2C=C(C(=O)[O-])N=C2NC=N1	REAL300013387184	1	46	0.0	-98.47	329.10	10.24	-88.23
COC1=CC=CC(OC)=C1C1CCN(C2=[NH+]C=CC=C2C(=O)[O-])C1	REAL300013387192	0	44	0.0	-47.01	338.72	8.79	-38.22
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC(N3CCSCC3)=NC=[NH+]1)C2	REAL300013387203	0	39	0.0	-63.91	319.41	8.53	-55.38
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC(N3CCSCC3)=[NH+]C=N1)C2	REAL300013387203	1	39	0.0	-63.49	318.41	8.10	-55.39
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC(N3CCCC(CO)C3)=NC=[NH+]1)C2	REAL300013387208	0	45	0.0	-63.48	352.00	5.92	-57.56
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC(N3CCCC(CO)C3)=[NH+]C=N1)C2	REAL300013387208	1	45	0.0	-63.93	349.31	5.77	-58.16
COC1=CC2=NC(N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=[NH+]C(N)=C2C=C1OC	REAL300013387225	0	42	0.0	-60.74	340.82	7.24	-53.50
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC=[NH+]C3=CC(C(F)(F)F)=CC=C13)C2	REAL300013387232	0	36	0.0	-63.26	310.84	8.73	-54.53
CC(C)(C)C1=CC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC(C(C)(C)C)=[NH+]1	REAL300013387238	1	50	0.0	-52.55	381.20	10.47	-42.08
CC1=CC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013387246	1	41	0.0	-67.19	351.14	10.60	-56.59
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC=[NH+]C3=CC(Br)=CC=C13)C2	REAL300013387272	1	33	0.0	-61.05	293.56	8.33	-52.72
CC1=[NH+]C2=CC=C(Br)C=C2C(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300013387294	0	39	0.0	-62.27	330.17	9.30	-52.97
CCOC(=O)C1=C(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300013387319	1	45	0.0	-70.07	371.09	7.88	-62.19
CCOC(=O)C1=C(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=C(C)C(C)=C2[NH+]=C1	REAL300013387320	1	48	0.0	-64.01	380.45	10.56	-53.45
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC(N3CCCCC3CO)=NC=[NH+]1)C2	REAL300013387339	0	45	0.0	-63.21	352.26	5.26	-57.95
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC(N3CCCCC3CO)=[NH+]C=N1)C2	REAL300013387339	1	45	0.0	-62.48	350.86	5.26	-57.22
CC1=[NH+]C2=CC=C([N+](=O)[O-])C=C2C(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013387343	0	38	0.0	-67.02	321.97	8.96	-58.06
CN1CCN(C2=CC(N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=[NH+]C=N2)CC1=O	REAL300013387351	0	42	0.0	-67.30	334.78	6.09	-61.21
CN1CCN(C2=CC(N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=NC=[NH+]2)CC1=O	REAL300013387351	1	42	0.0	-61.37	330.73	5.83	-55.54
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C13)C2	REAL300013387375	0	44	0.0	-62.80	362.69	10.63	-52.17
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC(C3CC3)=[NH+]C3=C(Br)C=CC=C13)C2	REAL300013387381	1	40	0.0	-52.43	340.79	10.66	-41.77
CC(C)NC1=[NH+]C(NCCO)=NC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013387396	0	45	0.0	-57.57	366.21	8.47	-49.10
CC(C)NC1=NC(NCCO)=[NH+]C(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013387396	1	45	0.0	-51.64	366.43	8.46	-43.18
CC(C)NC1=NC(NCCO)=NC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=[NH+]1	REAL300013387396	1	45	0.0	-50.87	365.77	8.43	-42.44
CCNC1=[NH+]C(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC(NC(C)(C)C)=N1	REAL300013387406	0	47	0.0	-49.81	367.62	12.69	-37.12
CCNC1=NC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC(NC(C)(C)C)=[NH+]1	REAL300013387406	1	47	0.0	-56.17	369.71	12.80	-43.37
CCNC1=NC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=[NH+]C(NC(C)(C)C)=N1	REAL300013387406	1	47	0.0	-46.82	364.98	12.39	-34.43
CN(C1=CC=CC=C1)C1=CC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=[NH+]C=N1	REAL300013387416	1	41	0.0	-60.02	339.99	11.31	-48.71
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC=[NH+]C3=CC(F)=C(Cl)C=C13)C2	REAL300013387433	1	33	0.0	-64.86	295.10	8.28	-56.58
CC(O)C1CCN(C2=CC(N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=[NH+]C=N2)C1	REAL300013387434	0	45	0.0	-63.39	352.89	5.16	-58.23
CC(O)C1CCN(C2=CC(N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=NC=[NH+]2)C1	REAL300013387434	1	45	0.0	-62.83	350.02	5.58	-57.25
CC(C)OC1=CC2=C(N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C[NH+]=C2C=C1	REAL300013387438	0	43	0.0	-62.36	341.40	8.57	-53.79
C[NH+](C)CCNS(=O)(=O)C1=CC=C(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C([N+](=O)[O-])=C1	REAL300013387472	0	49	0.0	-82.28	410.00	5.99	-76.29
CCC1=CC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300013387520	1	44	0.0	-65.76	372.60	11.32	-54.44
C[NH+](C)CC1=NC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300013387541	1	50	0.0	-63.78	407.64	12.30	-51.48
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC=[NH+]C3=CC=C(Br)C=C13)C2	REAL300013387542	1	33	0.0	-62.83	293.58	8.34	-54.49
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC=[NH+]C3=C(Br)C=CC=C13)C2	REAL300013387549	1	33	0.0	-57.26	290.93	8.42	-48.84
CCOC1=CC2=[NH+]C=CC(N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2C=C1OCC	REAL300013387557	0	47	0.0	-63.14	374.39	8.81	-54.33
CCC1=CC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC(C2=CC=NC=C2)=[NH+]1	REAL300013387559	1	41	0.0	-59.50	339.59	8.88	-50.62
COC1=CC2=[NH+]C=CC(N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2C=C1Br	REAL300013387590	0	37	0.0	-64.09	322.35	7.69	-56.40
CC1(C)CCCN(C2=CC=[NH+]C(N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)C1	REAL300013387597	0	47	0.0	-58.46	356.74	10.81	-47.65
CC1=CC2=C(N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C3=C(CCCC3)[NH+]=C2C=C1F	REAL300013387602	0	46	0.0	-58.49	360.91	10.62	-47.87
COC1=CC2=[NH+]C=CC(N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2C=C1OC	REAL300013387607	0	41	0.0	-63.28	330.69	6.97	-56.31
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N1)C2	REAL300013387625	0	42	0.0	-60.60	342.62	10.60	-50.00
CC1=CC=C2C(N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC(C)=[NH+]C2=C1Cl	REAL300013387640	0	39	0.0	-53.81	326.96	9.46	-44.35
CC1=[NH+]C(NC2=CC=CC=C2)=CC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013387643	0	41	0.0	-58.52	335.86	9.28	-49.24
CC1=NC(NC2=CC=CC=C2)=CC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=[NH+]1	REAL300013387643	1	41	0.0	-58.43	338.21	10.11	-48.32
CN(C1=CC=[NH+]C(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1)C1CCCCC1	REAL300013387647	0	47	0.0	-56.80	358.21	11.91	-44.89
CC1=CC(N(C)C2=CC=CC=C2)=NC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=[NH+]1	REAL300013387649	0	44	0.0	-55.23	361.55	12.58	-42.65
CN(C1=[NH+]C=CC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1)C1CCCCC1	REAL300013387652	0	47	0.0	-60.00	358.14	11.95	-48.05
CC1=CC(N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NC(N(C)C2=CC=CC=C2)=[NH+]1	REAL300013387654	1	44	0.0	-57.70	359.86	12.60	-45.10
O=C([O-])[C@]12C[C@H]1[C@@H](NC1=CC=[NH+]C3=CC(OC(F)(F)F)=CC=C13)C2	REAL300013387689	0	37	0.0	-62.32	318.20	7.53	-54.79
CC1=C(Cl)C2=[NH+]C=CC(N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2C=C1	REAL300013387695	1	36	0.0	-57.01	305.32	8.88	-48.13
COC(=O)COC1=CC=CC(CN(C)C2=[NH+]C=CC=C2C(=O)[O-])=C1	REAL300013387705	0	42	0.0	-63.33	351.37	9.62	-53.71
C[NH+](C)CC1=CC=C(CCNC2=NC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300013387710	0	43	0.0	-70.02	364.60	10.31	-59.71
C[NH+](C)CC1=CC=C(CCNC2=C3C=C(C(=O)[O-])N=C3NC=N2)C=C1	REAL300013387711	0	46	0.0	-103.54	377.77	10.64	-92.90
O=C([O-])C1=CC=C[NH+]=C1N1CCC(C2=NC=NC3=CC=CC=C32)C1	REAL300013387715	0	40	0.0	-46.85	322.33	9.84	-37.01
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COC(=O)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013394436	1	45	0.0	-43.49	361.68	6.79	-36.70
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CC1=CC=NC(OC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C2C)=C1	REAL300013395316	1	55	0.0	-39.56	434.53	7.76	-31.80
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CCCN1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013395779	1	45	0.0	-45.17	352.32	5.52	-39.65
CC(C)N1C=C2C=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=CC2=N1	REAL300013395912	1	51	0.0	-47.26	396.23	7.47	-39.79
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CC(C)(C)C1=NC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2S1	REAL300013396174	1	53	0.0	-45.13	420.62	8.13	-37.00
CC(C)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=NO1	REAL300013396257	1	44	0.0	-37.57	345.66	6.78	-30.79
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(N3CCCNC3=O)=C2)CC1	REAL300013396326	1	52	0.0	-44.27	403.34	5.87	-38.40
CCC1=CN=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013396382	1	41	0.0	-39.87	336.97	6.32	-33.55
CC(C)(C)C1=CN=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013396444	1	47	0.0	-39.63	375.09	7.39	-32.24
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(CC(=O)NC3CC3)N=C2)CC1	REAL300013396526	1	50	0.0	-50.52	399.84	4.20	-46.32
CC(C)(C)N1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013396593	1	48	0.0	-44.74	369.26	5.91	-38.83
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(CC3=CC=CN=C3)N=C2)CC1	REAL300013396672	1	48	0.0	-48.24	385.55	5.97	-42.27
CN(C)C(=O)CN1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013396754	1	49	0.0	-56.23	386.01	4.41	-51.82
O=C([O-])C[NH+]1CCC(NC(=O)NC2=C(F)C=C(F)C=C2F)CC1	REAL300013396831	1	39	0.0	-36.59	324.98	6.33	-30.26
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300013396913	1	45	0.0	-37.85	361.26	7.65	-30.20
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(CC(F)(F)F)=C2)CC1	REAL300013396999	1	45	0.0	-38.22	367.86	7.91	-30.31
CC(C)CN1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013397068	1	48	0.0	-44.60	367.68	6.33	-38.27
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(CC3CC(=O)NC3=O)C=C2)CC1	REAL300013397159	1	52	0.0	-46.84	408.92	5.29	-41.55
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(F)C(Br)=C2)CC1	REAL300013397252	1	39	0.0	-39.44	333.89	6.78	-32.66
COC(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C(=O)OC	REAL300013397333	1	51	0.0	-49.22	412.93	7.78	-41.44
COC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1N1CCOC1=O	REAL300013397442	1	52	0.0	-49.73	412.21	6.01	-43.72
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(CC3CC3)N=C2)CC1	REAL300013397519	1	46	0.0	-40.85	362.13	6.33	-34.52
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(OC3=CC=CC=N3)=C2)CC1	REAL300013397653	1	49	0.0	-39.68	393.07	6.52	-33.16
NC(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(F)=C1	REAL300013397730	1	43	0.0	-42.26	346.11	3.01	-39.25
CC1=CC=C(N2CCOC2=O)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013397815	1	51	0.0	-48.55	393.89	7.11	-41.44
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013397857	0	58	0.0	-78.80	429.00	8.28	-70.52
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013397858	0	60	0.0	-75.03	440.27	6.67	-68.36
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013397859	0	56	0.0	-80.13	419.79	6.67	-73.46
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N(C)CCC(=O)[O-]	REAL300013397860	0	54	0.0	-78.64	410.61	7.32	-71.32
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCCCCC(=O)[O-]	REAL300013397861	0	57	0.0	-80.12	436.04	6.52	-73.60
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCCC(=O)[O-]	REAL300013397862	0	51	0.0	-78.31	393.05	4.95	-73.36
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCCCCCC(=O)[O-]	REAL300013397863	0	60	0.0	-79.61	457.54	7.30	-72.31
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC(C)(O)C(=O)[O-]	REAL300013397864	0	55	0.0	-76.24	420.33	3.24	-73.00
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013397865	0	57	0.0	-80.30	428.49	6.40	-73.90
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013397866	0	58	0.0	-78.69	434.52	7.79	-70.90
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N(C)CC(C)C(=O)[O-]	REAL300013397867	0	57	0.0	-78.18	423.92	7.62	-70.56
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCCCC(=O)[O-]	REAL300013397868	0	54	0.0	-76.96	414.55	5.74	-71.22
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013397869	0	60	0.0	-77.97	447.25	6.62	-71.35
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013397870	0	58	0.0	-74.90	432.95	7.26	-67.64
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC(C)C(=O)[O-]	REAL300013397871	0	54	0.0	-79.18	411.59	5.70	-73.48
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013397872	0	60	0.0	-77.82	449.52	6.89	-70.93
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013397873	0	58	0.0	-76.72	435.11	7.01	-69.71
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013397874	0	58	0.0	-75.32	435.93	6.95	-68.37
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013397875	0	55	0.0	-79.14	422.51	6.29	-72.85
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013397876	0	55	0.0	-76.98	419.14	6.30	-70.68
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013397877	0	58	0.0	-74.06	428.42	8.23	-65.83
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013397878	0	58	0.0	-74.65	428.57	8.27	-66.38
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013397879	0	55	0.0	-78.37	419.49	6.36	-72.01
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013397880	0	55	0.0	-78.48	419.87	6.35	-72.13
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC(CC)C(=O)[O-]	REAL300013397881	0	57	0.0	-75.59	428.53	6.51	-69.08
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N(C)CCCC(=O)[O-]	REAL300013397882	0	57	0.0	-79.98	431.42	8.13	-71.85
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013397883	0	56	0.0	-80.28	428.90	6.53	-73.75
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013397884	0	56	0.0	-78.69	430.65	7.02	-71.67
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013397885	0	55	0.0	-79.14	422.51	6.29	-72.85
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C(=O)[O-])C1	REAL300013397886	0	55	0.0	-79.08	415.31	7.31	-71.77
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013397887	0	56	0.0	-81.39	429.62	7.03	-74.36
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC(C)CCC(=O)[O-]	REAL300013397888	0	57	0.0	-75.31	433.47	6.75	-68.56
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=CC=C1N1CCOC1=O	REAL300013397929	1	51	0.0	-46.39	398.11	7.89	-38.50
CCC1=CC=C(CC)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013398002	1	51	0.0	-36.31	388.08	9.24	-27.07
CN1C(=O)COC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C21	REAL300013398086	1	48	0.0	-45.43	374.07	5.08	-40.35
CCOC(=O)C1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)SC=C1C1CC1	REAL300013398170	1	52	0.0	-39.16	424.17	8.99	-30.17
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(CCN3CCOCC3)N=C2)CC1	REAL300013398246	1	55	0.0	-46.24	419.16	3.23	-43.01
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013398286	0	49	0.0	-95.72	370.37	6.24	-89.48
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300013398287	0	49	0.0	-88.48	395.20	6.01	-82.47
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013398288	0	49	0.0	-91.74	399.85	5.40	-86.34
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013398289	0	51	0.0	-84.23	387.90	4.17	-80.06
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013398290	0	47	0.0	-97.28	368.14	4.17	-93.11
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013398291	0	52	0.0	-98.41	401.65	5.03	-93.38
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCCCCC(=O)[O-]	REAL300013398292	0	48	0.0	-94.12	382.86	4.03	-90.09
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013398293	0	49	0.0	-95.84	399.01	5.35	-90.49
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCCC(=O)[O-]	REAL300013398294	0	42	0.0	-91.93	333.34	2.93	-89.00
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCCCCCC(=O)[O-]	REAL300013398295	0	51	0.0	-91.95	397.84	5.30	-86.65
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC(C)(O)C(=O)[O-]	REAL300013398296	0	46	0.0	-89.28	367.96	0.74	-88.54
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013398297	0	48	0.0	-95.32	374.72	3.92	-91.40
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300013398298	0	52	0.0	-90.27	410.06	7.30	-82.97
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013398299	0	49	0.0	-96.15	382.05	5.32	-90.83
CC(CN(C)C(=O)NC1=CC(C(N)=O)=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300013398300	0	48	0.0	-98.17	371.74	5.37	-92.80
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC(C(N)=O)=CC=C2C[NH+](C)C)C1	REAL300013398301	0	52	0.0	-68.52	388.39	6.73	-61.79
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013398302	0	52	0.0	-93.64	388.47	6.24	-87.40
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCCCC(=O)[O-]	REAL300013398303	0	45	0.0	-86.97	354.84	3.74	-83.23
CC1CCN(C(=O)NC2=CC(C(N)=O)=CC=C2C[NH+](C)C)CC1C(=O)[O-]	REAL300013398304	0	52	0.0	-75.14	389.03	6.78	-68.36
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013398305	0	53	0.0	-68.51	400.57	3.50	-65.01
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013398306	0	51	0.0	-87.38	388.13	4.61	-82.77
CCC(CC)(CNC(=O)NC1=CC(C(N)=O)=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300013398307	0	54	0.0	-70.48	395.75	5.58	-64.90
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013398308	0	49	0.0	-91.83	378.12	5.10	-86.73
CC(CNC(=O)NC1=CC(C(N)=O)=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300013398309	0	45	0.0	-93.12	351.89	3.70	-89.42
CC(C)C(CNC(=O)NC1=CC(C(N)=O)=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300013398310	0	51	0.0	-71.24	391.90	4.50	-66.74
CC(NC(=O)NC1=CC(C(N)=O)=CC=C1C[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013398311	0	58	0.0	-91.52	434.13	5.84	-85.68
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013398312	0	55	0.0	-71.23	430.69	6.83	-64.40
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013398313	0	49	0.0	-81.54	376.28	4.82	-76.72
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013398314	0	55	0.0	-92.00	414.46	7.28	-84.72
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013398315	0	51	0.0	-90.86	386.19	4.31	-86.55
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013398316	0	52	0.0	-83.55	393.32	5.80	-77.75
CC1CN(C(=O)NC2=CC(C(N)=O)=CC=C2C[NH+](C)C)CCC1C(=O)[O-]	REAL300013398317	0	52	0.0	-83.07	388.40	6.43	-76.64
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013398318	0	49	0.0	-70.23	381.99	4.63	-65.60
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013398319	0	52	0.0	-87.87	408.01	5.35	-82.52
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013398320	0	52	0.0	-93.64	388.47	6.24	-87.40
CC(C)C[C@H](CNC(=O)NC1=CC(C(N)=O)=CC=C1C[NH+](C)C)CC(=O)[O-]	REAL300013398321	0	57	0.0	-81.42	427.86	5.65	-75.77
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013398322	0	46	0.0	-91.46	370.07	3.85	-87.61
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013398323	0	49	0.0	-76.45	392.05	5.64	-70.81
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC(C(N)=O)=CC=C2C[NH+](C)C)C1	REAL300013398324	0	53	0.0	-104.18	404.13	5.42	-98.76
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013398325	0	46	0.0	-83.32	367.16	3.86	-79.46
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013398326	0	54	0.0	-89.90	414.75	3.08	-86.82
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013398327	0	49	0.0	-72.53	375.96	5.74	-66.79
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013398328	0	49	0.0	-99.23	377.66	5.77	-93.46
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013398329	0	46	0.0	-87.70	365.78	3.98	-83.72
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013398330	0	46	0.0	-91.56	359.88	4.16	-87.40
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013398331	0	49	0.0	-95.84	399.01	5.35	-90.49
CCC(CNC(=O)NC1=CC(C(N)=O)=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300013398332	0	48	0.0	-71.25	375.35	4.02	-67.23
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013398333	0	55	0.0	-109.14	402.90	7.36	-101.78
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013398334	0	57	0.0	-94.33	440.85	6.85	-87.48
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCCCCCCC(=O)[O-]	REAL300013398335	0	54	0.0	-95.62	425.84	5.59	-90.03
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013398336	0	52	0.0	-99.43	391.09	6.47	-92.96
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC(C(N)=O)=CC=C2C[NH+](C)C)C1	REAL300013398337	0	56	0.0	-102.52	416.15	5.88	-96.64
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013398338	0	55	0.0	-100.79	409.82	7.64	-93.15
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013398339	0	53	0.0	-95.15	399.71	8.81	-86.34
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013398340	0	50	0.0	-81.20	388.79	4.80	-76.40
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC(C(N)=O)=CC=C1C[NH+](C)C	REAL300013398341	0	52	0.0	-67.96	384.46	6.79	-61.17
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013398342	0	50	0.0	-75.10	385.38	3.28	-71.82
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013398343	0	53	0.0	-89.25	421.73	6.59	-82.66
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1=CN(CC(=O)[O-])C=N1	REAL300013398344	0	46	0.0	-94.00	375.07	6.16	-87.84
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC(C(N)=O)=CC=C2C[NH+](C)C)CC1	REAL300013398345	0	56	0.0	-96.41	420.57	5.89	-90.52
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013398346	0	47	0.0	-97.60	376.58	4.31	-93.29
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013398347	0	58	0.0	-90.83	423.41	6.04	-84.79
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013398348	0	52	0.0	-76.70	396.65	5.63	-71.07
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013398349	0	55	0.0	-93.48	413.20	6.24	-87.24
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013398350	0	52	0.0	-84.39	387.37	6.85	-77.54
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013398351	0	53	0.0	-93.93	408.75	5.92	-88.01
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013398352	0	52	0.0	-84.09	401.30	5.27	-78.82
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013398353	0	52	0.0	-85.34	396.04	5.62	-79.72
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013398354	0	53	0.0	-79.13	404.45	3.67	-75.46
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013398355	0	50	0.0	-71.28	388.44	2.59	-68.69
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1C2CCC1C(C(=O)[O-])C2	REAL300013398356	0	50	0.0	-95.51	380.35	6.15	-89.36
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013398357	0	47	0.0	-82.64	377.61	4.70	-77.94
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013398358	0	46	0.0	-91.46	370.07	3.85	-87.61
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013398359	0	53	0.0	-78.69	403.39	6.53	-72.16
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013398360	0	50	0.0	-99.90	384.29	5.25	-94.65
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC(C(N)=O)=CC=C2C[NH+](C)C)C1	REAL300013398361	0	53	0.0	-99.26	401.12	5.20	-94.06
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N1CCC(C(=O)[O-])C1	REAL300013398362	0	46	0.0	-92.53	362.06	4.80	-87.73
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013398363	0	47	0.0	-96.04	370.27	5.05	-90.99
C[NH+](C)CC1=CC=C(C(N)=O)C=C1NC(=O)NC1(CC(=O)[O-])CCCCC1	REAL300013398364	0	55	0.0	-90.84	405.64	6.54	-84.30
CC(CCC(=O)[O-])NC(=O)NC1=CC(C(N)=O)=CC=C1C[NH+](C)C	REAL300013398365	0	48	0.0	-87.20	374.60	4.73	-82.47
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(CC(=O)N3CCOCC3)N=C2)CC1	REAL300013398403	1	54	0.0	-56.79	418.61	4.03	-52.76
CCOC(=O)C1=C(C(C)=O)SC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013398476	1	49	0.0	-52.74	414.10	7.08	-45.66
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=CC=C1NC(=O)N(C)C	REAL300013398704	1	54	0.0	-49.47	409.53	6.94	-42.53
CNC(=O)C1=CC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C2N1	REAL300013398787	1	50	0.0	-45.42	397.63	4.33	-41.09
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(C3=CC=CC=C3)=CC=C2Cl)CC1	REAL300013398954	1	49	0.0	-36.76	394.86	10.15	-26.61
CC(C)CC1=NC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013399024	1	49	0.0	-39.06	379.17	6.07	-32.99
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(N2C=CC=N2)=C1	REAL300013399109	1	50	0.0	-43.69	394.76	6.63	-37.06
CC1CN(C2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=N2)CC(C)O1	REAL300013399191	1	57	0.0	-43.24	431.42	5.80	-37.44
CN(C)S(=O)(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=C1	REAL300013399267	1	49	0.0	-45.85	399.04	3.80	-42.05
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013399343	1	51	0.0	-40.21	393.59	8.62	-31.59
CC1=CC=C(C2=CC=C(C)C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)O1	REAL300013399427	1	52	0.0	-41.12	406.00	9.48	-31.64
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(F)C(N3CCOC3=O)=C2)CC1	REAL300013399509	1	48	0.0	-48.28	389.20	6.70	-41.58
O=C([O-])C[NH+]1CCC(NC(=O)NC2=C(Cl)C=CC3=C2CCO3)CC1	REAL300013399655	1	44	0.0	-36.85	353.14	6.45	-30.40
CC1=NC(C2=CC=CC=C2NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CS1	REAL300013399769	1	48	0.0	-37.71	386.98	8.46	-29.25
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC3=C2CCO3)CC1	REAL300013399835	1	44	0.0	-38.65	342.20	6.02	-32.63
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COC(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=N1	REAL300013401400	1	43	0.0	-46.56	354.09	5.16	-41.40
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COC(=O)C1=CC=C(F)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013401638	1	45	0.0	-39.88	366.46	6.90	-32.98
COC(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C(F)C=C1F	REAL300013401740	1	45	0.0	-40.21	371.04	6.90	-33.31
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CC(C)OC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013402229	1	49	0.0	-36.20	374.45	7.12	-29.08
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CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013402387	1	52	0.0	-45.88	399.05	6.86	-39.02
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COC(=O)C1=CC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C2O1	REAL300013403211	1	48	0.0	-46.69	391.15	7.28	-39.41
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COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1NC(C)=O	REAL300013403467	1	50	0.0	-44.13	390.75	4.48	-39.65
CCC1=CC=CC(OC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=N2)=C1	REAL300013403551	1	55	0.0	-44.36	437.03	7.92	-36.44
CNC(=O)C1=CC=C(OC)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013403628	1	50	0.0	-45.55	391.57	3.87	-41.68
CC1=CC=C(OC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=N2)C=C1	REAL300013403714	1	52	0.0	-44.33	415.55	7.17	-37.16
COC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013403797	1	43	0.0	-41.89	342.62	5.48	-36.41
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CC(C)OC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013403954	1	49	0.0	-38.29	377.05	7.02	-31.27
CC1=CC(Br)=CC(C)=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013404038	1	45	0.0	-36.58	365.57	8.20	-28.38
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C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300013404228	0	49	0.0	-71.65	375.55	8.54	-63.11
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300013404229	0	49	0.0	-70.74	393.89	8.80	-61.94
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013404230	0	49	0.0	-76.61	397.72	8.13	-68.48
C[NH+](C)CCOC1=CC=CC(NC(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300013404231	0	51	0.0	-68.49	386.73	6.94	-61.55
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300013404232	0	47	0.0	-72.41	366.72	6.95	-65.46
CN(CCC(=O)[O-])C(=O)NC1=CC(OCC[NH+](C)C)=CC=C1	REAL300013404233	0	45	0.0	-69.43	356.04	7.60	-61.83
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300013404234	0	52	0.0	-70.28	394.61	8.21	-62.07
C[NH+](C)CCOC1=CC=CC(NC(=O)NCCCCC(=O)[O-])=C1	REAL300013404235	0	48	0.0	-73.36	381.74	6.77	-66.59
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013404236	0	49	0.0	-75.10	398.00	8.08	-67.02
C[NH+](C)CCOC1=CC=CC(NC(=O)NCCCCCC(=O)[O-])=C1	REAL300013404237	0	51	0.0	-73.56	403.24	7.55	-66.01
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300013404238	0	46	0.0	-68.73	367.20	3.55	-65.18
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013404239	0	48	0.0	-72.38	374.13	6.66	-65.72
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300013404240	0	52	0.0	-71.72	415.28	9.61	-62.11
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300013404241	0	49	0.0	-69.24	378.32	8.07	-61.17
CC(CN(C)C(=O)NC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013404242	0	48	0.0	-82.11	371.18	8.19	-73.92
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=CC(OCC[NH+](C)C)=C2)C1	REAL300013404243	0	52	0.0	-66.84	391.46	9.34	-57.50
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013404244	0	52	0.0	-71.65	386.91	8.73	-62.92
C[NH+](C)CCOC1=CC=CC(NC(=O)NCCCC(=O)[O-])=C1	REAL300013404245	0	45	0.0	-69.88	360.19	6.00	-63.88
CC1CCN(C(=O)NC2=CC=CC(OCC[NH+](C)C)=C2)CC1C(=O)[O-]	REAL300013404246	0	52	0.0	-79.77	389.78	8.96	-70.81
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013404247	0	53	0.0	-66.50	400.32	6.14	-60.36
C[NH+](C)CCOC1=CC=CC(NC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013404248	0	51	0.0	-71.10	392.90	6.88	-64.22
CCC(CC)(CNC(=O)NC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013404249	0	54	0.0	-67.16	405.83	7.67	-59.49
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300013404250	0	49	0.0	-73.67	379.91	7.32	-66.35
CC(CNC(=O)NC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013404251	0	45	0.0	-71.15	357.28	5.95	-65.20
CC(C)C(CNC(=O)NC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013404252	0	51	0.0	-67.55	390.76	7.24	-60.31
CC(NC(=O)NC1=CC=CC(OCC[NH+](C)C)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013404253	0	58	0.0	-73.87	435.90	9.04	-64.83
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013404254	0	55	0.0	-68.60	424.91	9.54	-59.06
C[NH+](C)CCOC1=CC=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013404255	0	49	0.0	-70.26	381.37	7.29	-62.97
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(CCC(=O)[O-])CC2)=C1	REAL300013404256	0	55	0.0	-72.48	414.77	9.94	-62.54
C[NH+](C)CCOC1=CC=CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1	REAL300013404257	0	51	0.0	-71.44	391.72	6.68	-64.76
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013404258	0	52	0.0	-66.69	398.64	8.06	-58.63
CC1CN(C(=O)NC2=CC=CC(OCC[NH+](C)C)=C2)CCC1C(=O)[O-]	REAL300013404259	0	52	0.0	-72.49	385.74	9.21	-63.28
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013404260	0	49	0.0	-65.83	381.30	7.26	-58.57
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013404261	0	52	0.0	-73.23	406.24	8.05	-65.18
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013404262	0	52	0.0	-71.65	386.91	8.73	-62.92
CC(C)C[C@H](CNC(=O)NC1=CC=CC(OCC[NH+](C)C)=C1)CC(=O)[O-]	REAL300013404263	0	57	0.0	-71.27	425.75	8.39	-62.88
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013404264	0	46	0.0	-65.30	365.88	6.93	-58.37
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013404265	0	49	0.0	-70.67	391.60	8.20	-62.47
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC(OCC[NH+](C)C)=C2)C1	REAL300013404266	0	53	0.0	-75.06	409.33	7.71	-67.35
C[NH+](C)CCOC1=CC=CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013404267	0	46	0.0	-74.34	365.67	6.57	-67.77
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2CCN(CC(=O)[O-])CC2)=C1	REAL300013404268	0	54	0.0	-70.63	413.54	5.69	-64.94
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013404269	0	49	0.0	-74.13	374.35	8.43	-65.70
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013404270	0	49	0.0	-66.71	375.18	8.54	-58.17
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013404271	0	46	0.0	-70.01	365.70	6.55	-63.46
C[NH+](C)CCOC1=CC=CC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013404272	0	46	0.0	-70.64	365.14	6.61	-64.03
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013404273	0	49	0.0	-75.10	398.00	8.08	-67.02
CCC(CNC(=O)NC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013404274	0	48	0.0	-64.92	373.44	6.88	-58.04
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCCCC2CCC(=O)[O-])=C1	REAL300013404275	0	55	0.0	-84.90	408.49	9.83	-75.07
C[NH+](C)CCOC1=CC=CC(NC(=O)NCCCCCCCC(=O)[O-])=C1	REAL300013404276	0	57	0.0	-75.26	446.23	9.11	-66.15
C[NH+](C)CCOC1=CC=CC(NC(=O)NCCCCCCC(=O)[O-])=C1	REAL300013404277	0	54	0.0	-75.02	424.68	8.35	-66.67
CN(CCCC(=O)[O-])C(=O)NC1=CC(OCC[NH+](C)C)=CC=C1	REAL300013404278	0	48	0.0	-71.27	377.54	8.42	-62.85
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300013404279	0	52	0.0	-80.92	389.65	9.22	-71.70
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=CC(OCC[NH+](C)C)=C2)C1	REAL300013404280	0	56	0.0	-85.06	422.05	8.34	-76.72
COCCN(CCC(=O)[O-])C(=O)NC1=CC=CC(OCC[NH+](C)C)=C1	REAL300013404281	0	52	0.0	-66.22	409.49	7.73	-58.49
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300013404282	0	55	0.0	-71.41	414.76	9.98	-61.43
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300013404283	0	53	0.0	-81.60	407.41	11.13	-70.47
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)=C1	REAL300013404284	0	50	0.0	-67.82	387.15	7.22	-60.60
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=CC(OCC[NH+](C)C)=C1	REAL300013404285	0	52	0.0	-65.51	388.86	9.07	-56.44
C[NH+](C)CCOC1=CC=CC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1	REAL300013404286	0	56	0.0	-70.47	436.85	11.12	-59.35
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013404287	0	50	0.0	-77.83	384.48	6.01	-71.82
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300013404288	0	53	0.0	-72.96	420.62	9.33	-63.63
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)=C1	REAL300013404289	0	56	0.0	-85.65	426.26	8.30	-77.35
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2=CN(CC(=O)[O-])C=N2)=C1	REAL300013404290	0	46	0.0	-66.40	374.44	8.76	-57.64
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC(OCC[NH+](C)C)=C2)CC1	REAL300013404291	0	56	0.0	-74.09	418.34	8.67	-65.42
C[NH+](C)CCOC1=CC=CC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013404292	0	47	0.0	-73.05	375.40	6.79	-66.26
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300013404293	0	58	0.0	-68.07	421.45	8.77	-59.30
C[NH+](C)CCOC1=CC=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013404294	0	52	0.0	-70.67	394.84	8.18	-62.49
C[NH+](C)CCOC1=CC=CC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300013404295	0	55	0.0	-74.97	420.40	8.50	-66.47
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300013404296	0	52	0.0	-68.78	392.46	9.16	-59.62
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(OCC(=O)[O-])CC2)=C1	REAL300013404297	0	53	0.0	-73.85	409.14	8.57	-65.28
C[NH+](C)CCOC1=CC=CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013404298	0	52	0.0	-70.73	400.09	7.76	-62.97
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300013404299	0	52	0.0	-69.32	396.14	8.21	-61.11
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300013404300	0	53	0.0	-72.50	405.64	6.62	-65.88
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300013404301	0	50	0.0	-68.20	387.33	5.34	-62.86
C[NH+](C)CCOC1=CC=CC(NC(=O)N2C3CCC2C(C(=O)[O-])C3)=C1	REAL300013404302	0	50	0.0	-76.51	383.00	8.99	-67.52
C[NH+](C)CCOC1=CC=CC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013404303	0	47	0.0	-72.19	376.87	7.28	-64.91
C[NH+](C)CCOC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013404304	0	46	0.0	-65.30	365.88	6.93	-58.37
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300013404305	0	53	0.0	-68.08	403.60	9.32	-58.76
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300013404306	0	49	0.0	-65.44	394.34	8.37	-57.07
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013404307	0	50	0.0	-80.37	381.16	7.75	-72.62
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=CC(OCC[NH+](C)C)=C2)C1	REAL300013404308	0	53	0.0	-72.60	407.56	7.49	-65.11
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=C1	REAL300013404309	0	53	0.0	-74.30	427.50	10.22	-64.08
C[NH+](C)CCOC1=CC=CC(NC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013404310	0	46	0.0	-69.93	361.30	7.56	-62.37
C[NH+](C)CCOC1=CC=CC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013404311	0	47	0.0	-75.04	376.09	7.31	-67.73
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2(CC(=O)[O-])CCCCC2)=C1	REAL300013404312	0	55	0.0	-64.83	404.48	9.27	-55.56
CC(CCC(=O)[O-])NC(=O)NC1=CC=CC(OCC[NH+](C)C)=C1	REAL300013404313	0	48	0.0	-73.21	379.72	7.05	-66.16
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C(=O)N3CCOCC3)=C2)CC1	REAL300013404353	1	54	0.0	-49.85	412.34	5.57	-44.28
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C(=O)N3CCOCC3)C=C2)CC1	REAL300013404429	1	54	0.0	-45.59	410.77	5.57	-40.02
CNC(=O)C1=CC=C(Cl)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013404506	1	46	0.0	-42.91	377.12	5.02	-37.89
N#CCOC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013404583	1	44	0.0	-44.50	357.57	6.13	-38.37
COC(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(F)=C1	REAL300013404662	1	45	0.0	-39.02	366.38	6.87	-32.15
CC(=O)N(C)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013404745	1	49	0.0	-43.74	385.53	6.80	-36.94
CC(C)CCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013404833	1	55	0.0	-37.22	418.81	8.43	-28.79
COCCNC(=O)CN1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013404980	1	53	0.0	-55.26	423.33	2.41	-52.85
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(CC3=CC=C(Cl)C=C3)N=C2)CC1	REAL300013405056	1	49	0.0	-47.11	407.45	8.28	-38.83
CC1=CC=C(C(F)(F)F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013405131	1	45	0.0	-39.07	363.88	8.03	-31.04
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1N1CCOC1=O	REAL300013405218	1	51	0.0	-47.95	401.35	7.77	-40.18
COC1=NC=C(C)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013405283	1	45	0.0	-37.04	353.96	3.65	-33.39
CC1=CC=C(C#N)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013405347	1	43	0.0	-41.08	346.02	7.41	-33.67
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1Br	REAL300013405425	1	43	0.0	-38.89	357.07	6.05	-32.84
COC(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C	REAL300013405533	1	48	0.0	-41.33	378.33	7.31	-34.02
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2C#CC2=CC=CC=C2)CC1	REAL300013405621	1	51	0.0	-37.30	414.07	11.45	-25.85
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C2=NC(C3CC3)=NO2)=C1	REAL300013405728	1	54	0.0	-37.06	426.17	7.83	-29.23
CN1CCOC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C21	REAL300013405858	1	49	0.0	-38.63	372.84	4.71	-33.92
CCOC(=O)C1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)SC=C1	REAL300013406006	1	45	0.0	-39.75	370.50	6.98	-32.77
CSC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1Cl	REAL300013406176	1	43	0.0	-39.95	362.09	7.59	-32.36
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OCC(F)F)C=C2)CC1	REAL300013406340	1	46	0.0	-41.19	371.26	6.66	-34.53
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OC3CCC3)C(F)=C2)CC1	REAL300013406458	1	50	0.0	-38.79	391.34	7.80	-30.99
CC1=CC=CC=C1C1=CN=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013406545	1	48	0.0	-40.67	390.09	8.89	-31.78
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN(CC(F)F)C=C2)CC1	REAL300013406658	1	42	0.0	-41.55	342.46	6.08	-35.47
CCCCCN1N=C(C)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013406738	1	54	0.0	-40.44	415.64	8.60	-31.84
CC(C)(C)C(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013406823	1	53	0.0	-40.21	399.84	8.18	-32.03
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(S(=O)C(F)(F)F)C=C2)CC1	REAL300013406980	1	44	0.0	-44.17	378.74	5.31	-38.86
COC1=CC(C(=O)N(C)C)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013407058	1	53	0.0	-41.65	406.58	5.35	-36.30
CCOC1=CC(C(=O)N(C)C)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013407171	1	56	0.0	-41.26	429.06	6.37	-34.89
CC1=NC(C2=CC=C(C)C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)=NN1	REAL300013407248	1	51	0.0	-44.35	401.53	7.67	-36.68
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3CCCC(=O)C3=C2)CC1	REAL300013407360	1	48	0.0	-44.47	372.09	7.73	-36.74
CCOC1=CC=C(C(=O)N(C)C)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013407447	1	56	0.0	-45.77	427.72	6.33	-39.44
CC1=NN(CC2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)C(C)=N1	REAL300013407524	1	54	0.0	-43.37	427.04	8.88	-34.49
CC1=CC(=O)N(C)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013407662	1	45	0.0	-45.83	350.11	5.45	-40.38
COCCCOC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013407740	1	53	0.0	-40.89	413.38	6.22	-34.67
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300013407786	0	52	0.0	-77.39	391.55	9.46	-67.93
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300013407787	0	52	0.0	-77.11	410.18	9.71	-67.40
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013407788	0	52	0.0	-80.84	414.09	9.05	-71.79
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300013407789	0	54	0.0	-73.63	402.87	7.87	-65.76
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300013407790	0	50	0.0	-84.22	383.16	7.85	-76.37
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300013407791	0	55	0.0	-85.36	416.72	8.72	-76.64
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCCCCC(=O)[O-])=C1	REAL300013407792	0	51	0.0	-82.46	397.83	7.73	-74.73
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013407793	0	52	0.0	-80.76	414.10	9.04	-71.72
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCCC(=O)[O-])=C1	REAL300013407794	0	45	0.0	-78.65	354.83	6.15	-72.50
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCCCCCC(=O)[O-])=C1	REAL300013407795	0	54	0.0	-80.28	419.33	8.51	-71.77
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300013407796	0	49	0.0	-76.70	382.93	4.45	-72.25
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013407797	0	51	0.0	-82.11	390.27	7.61	-74.50
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300013407798	0	55	0.0	-79.12	431.57	10.51	-68.61
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300013407799	0	52	0.0	-84.76	394.36	9.05	-75.71
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300013407800	0	51	0.0	-85.11	386.79	9.06	-76.05
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CC(C)CC(C(=O)[O-])C2)=C1	REAL300013407801	0	55	0.0	-60.33	411.85	9.97	-50.36
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013407802	0	55	0.0	-79.18	404.27	9.70	-69.48
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCCCC(=O)[O-])=C1	REAL300013407803	0	48	0.0	-75.23	376.33	6.95	-68.28
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300013407804	0	55	0.0	-62.00	409.88	9.93	-52.07
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013407805	0	56	0.0	-67.31	414.80	7.14	-60.17
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013407806	0	54	0.0	-76.01	409.04	7.82	-68.19
CCC(CC)(CNC(=O)NC1=CC(C)=NN1C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013407807	0	57	0.0	-68.81	421.93	8.63	-60.18
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300013407808	0	52	0.0	-70.93	396.29	8.38	-62.55
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC(C)C(=O)[O-])=C1	REAL300013407809	0	48	0.0	-80.10	373.39	6.91	-73.19
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013407810	0	54	0.0	-67.49	406.87	8.20	-59.29
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300013407811	0	61	0.0	-85.51	449.18	9.49	-76.02
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013407812	0	58	0.0	-66.93	439.83	10.51	-56.42
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013407813	0	52	0.0	-76.02	398.40	8.16	-67.86
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(CCC(=O)[O-])CC2)=C1	REAL300013407814	0	58	0.0	-78.67	430.85	10.85	-67.82
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1	REAL300013407815	0	54	0.0	-82.00	408.18	7.59	-74.41
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013407816	0	55	0.0	-67.60	411.78	9.20	-58.40
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C(=O)[O-])C(C)C2)=C1	REAL300013407817	0	55	0.0	-75.58	403.44	10.12	-65.46
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013407818	0	52	0.0	-65.73	397.72	8.15	-57.58
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013407819	0	55	0.0	-81.32	421.84	8.93	-72.39
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013407820	0	55	0.0	-79.18	404.27	9.70	-69.48
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300013407821	0	60	0.0	-76.89	442.45	9.30	-67.59
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013407822	0	49	0.0	-64.31	381.98	7.89	-56.42
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013407823	0	52	0.0	-75.80	407.70	9.16	-66.64
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC(C)=NN2C2CC[NH+](C)CC2)C1	REAL300013407824	0	56	0.0	-87.33	426.49	8.10	-79.23
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013407825	0	49	0.0	-75.39	381.47	7.50	-67.89
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2CCN(CC(=O)[O-])CC2)=C1	REAL300013407826	0	57	0.0	-78.85	429.83	6.57	-72.28
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013407827	0	52	0.0	-60.53	391.01	9.40	-51.13
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013407828	0	52	0.0	-61.67	391.54	9.43	-52.24
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013407829	0	49	0.0	-75.29	381.41	7.50	-67.79
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013407830	0	49	0.0	-77.77	381.63	7.56	-70.21
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013407831	0	52	0.0	-80.76	414.10	9.04	-71.72
CCC(CNC(=O)NC1=CC(C)=NN1C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013407832	0	51	0.0	-69.25	395.33	7.61	-61.64
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCCCC2CCC(=O)[O-])=C1	REAL300013407833	0	58	0.0	-92.84	424.20	10.77	-82.07
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCCCCCCCC(=O)[O-])=C1	REAL300013407834	0	60	0.0	-82.82	462.33	10.07	-72.75
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCCCCCCC(=O)[O-])=C1	REAL300013407835	0	57	0.0	-84.27	440.83	9.29	-74.98
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300013407836	0	55	0.0	-60.37	406.11	10.13	-50.24
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC(C)=NN2C2CC[NH+](C)CC2)C1	REAL300013407837	0	59	0.0	-89.41	437.82	9.30	-80.11
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300013407838	0	58	0.0	-86.66	431.18	10.84	-75.82
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300013407839	0	56	0.0	-92.71	426.76	11.45	-81.26
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)=C1	REAL300013407840	0	53	0.0	-76.50	403.33	8.17	-68.33
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300013407841	0	55	0.0	-59.58	406.08	9.99	-49.59
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013407842	0	53	0.0	-82.32	400.40	6.95	-75.37
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300013407843	0	56	0.0	-78.32	436.77	10.27	-68.05
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2=CN(CC(=O)[O-])C=N2)=C1	REAL300013407844	0	49	0.0	-78.66	390.80	9.67	-68.99
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC(C)=NN2C2CC[NH+](C)CC2)CC1	REAL300013407845	0	59	0.0	-79.20	434.43	9.57	-69.63
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013407846	0	50	0.0	-84.65	391.54	7.74	-76.91
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300013407847	0	61	0.0	-84.97	437.68	9.71	-75.26
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013407848	0	55	0.0	-71.67	410.99	9.11	-62.56
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300013407849	0	58	0.0	-80.98	435.15	9.42	-71.56
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300013407850	0	55	0.0	-70.15	408.54	10.07	-60.08
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(OCC(=O)[O-])CC2)=C1	REAL300013407851	0	56	0.0	-80.54	425.14	9.50	-71.04
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013407852	0	55	0.0	-76.77	416.19	8.71	-68.06
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300013407853	0	55	0.0	-76.98	416.74	8.72	-68.26
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300013407854	0	56	0.0	-70.92	421.56	7.57	-63.35
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300013407855	0	53	0.0	-64.09	402.74	6.42	-57.67
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2C3CCC2C(C(=O)[O-])C3)=C1	REAL300013407856	0	53	0.0	-88.57	399.89	9.93	-78.64
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013407857	0	50	0.0	-75.16	392.95	8.23	-66.93
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013407858	0	49	0.0	-64.31	381.98	7.89	-56.42
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300013407859	0	56	0.0	-66.90	418.60	10.21	-56.69
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013407860	0	53	0.0	-85.00	398.73	8.64	-76.36
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC(C)=NN2C2CC[NH+](C)CC2)C1	REAL300013407861	0	56	0.0	-61.03	423.58	8.37	-52.66
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013407862	0	49	0.0	-79.22	377.42	8.51	-70.71
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013407863	0	50	0.0	-83.32	392.52	8.23	-75.09
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC2(CC(=O)[O-])CCCCC2)=C1	REAL300013407864	0	58	0.0	-71.57	420.51	10.13	-61.44
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)NC(C)CCC(=O)[O-])=C1	REAL300013407865	0	51	0.0	-73.00	396.09	7.94	-65.06
CCC1=NOC(C2=CC=C(C)C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)=N1	REAL300013407905	1	53	0.0	-41.36	418.42	6.94	-34.42
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3N=C(C4CC4)OC3=C2)CC1	REAL300013407982	1	48	0.0	-40.80	382.13	5.53	-35.27
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C(=O)OC3CCCC3)C=C2)CC1	REAL300013408126	1	55	0.0	-41.16	427.94	9.75	-31.41
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)N(C)CCC(=O)[O-])C=C2)CC1	REAL300013408163	1	55	0.0	-89.04	424.18	9.34	-79.70
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)NCCCCC(=O)[O-])C=C2)CC1	REAL300013408164	1	58	0.0	-88.33	449.57	8.55	-79.78
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)NCCC(=O)[O-])C=C2)CC1	REAL300013408165	1	52	0.0	-86.62	406.57	6.99	-79.63
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)NCC(C)(O)C(=O)[O-])C=C2)CC1	REAL300013408166	1	56	0.0	-84.77	435.08	5.32	-79.45
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013408167	1	58	0.0	-88.83	442.01	8.44	-80.39
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)N(C)CC(C)C(=O)[O-])C=C2)CC1	REAL300013408168	1	58	0.0	-87.11	438.26	9.67	-77.44
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013408169	1	55	0.0	-84.54	428.07	7.77	-76.77
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)NCC(C)C(=O)[O-])C=C2)CC1	REAL300013408170	1	55	0.0	-87.50	425.12	7.74	-79.76
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)NCC3(C(=O)[O-])CC3)C=C2)CC1	REAL300013408171	1	56	0.0	-81.86	433.71	8.72	-73.14
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013408172	1	56	0.0	-84.06	433.47	8.31	-75.75
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)NC3CC(C(=O)[O-])C3)C=C2)CC1	REAL300013408173	1	56	0.0	-85.21	433.54	8.34	-76.87
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013408174	1	56	0.0	-85.21	433.01	8.40	-76.81
CCC(CNC(=O)NC1=CC=C(CC(=O)N2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300013408175	1	58	0.0	-84.07	447.07	8.45	-75.62
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)N(C)CCCC(=O)[O-])C=C2)CC1	REAL300013408176	1	58	0.0	-91.21	445.68	10.15	-81.06
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)NCC3(C(=O)[O-])CC3)C=C2)CC1	REAL300013408177	1	56	0.0	-81.86	433.71	8.72	-73.14
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)N3CCC(C(=O)[O-])C3)C=C2)CC1	REAL300013408178	1	56	0.0	-85.60	429.19	9.34	-76.26
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)NC(C)CCC(=O)[O-])C=C2)CC1	REAL300013408179	1	58	0.0	-83.87	447.83	8.78	-75.09
CC1=NN(CC2=CC=CC=N2)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013408220	1	51	0.0	-45.97	405.71	7.49	-38.48
N#CC1=CC(F)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013408284	1	40	0.0	-36.55	331.57	6.65	-29.90
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(Cl)=N2)CC1	REAL300013408338	1	38	0.0	-41.88	320.04	6.20	-35.68
CC1=NC(C)=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013408378	1	41	0.0	-38.89	333.41	4.77	-34.12
CCOC1=CC=C([N+](=O)[O-])C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013408520	1	48	0.0	-41.59	384.68	7.16	-34.43
CCN1N=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C(F)(F)F	REAL300013408606	1	45	0.0	-36.63	361.73	5.57	-31.06
CCC1=NN(C)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013408725	1	45	0.0	-39.02	351.51	5.26	-33.76
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013408792	1	52	0.0	-41.50	401.01	8.00	-33.50
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(N3CCC3=O)C=C2)CC1	REAL300013408872	1	47	0.0	-43.36	371.65	6.56	-36.80
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(Cl)=C(Cl)C=C2F)CC1	REAL300013408960	1	39	0.0	-35.71	344.19	7.24	-28.47
CN1C(=O)COC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C21	REAL300013409046	1	48	0.0	-43.42	374.10	5.10	-38.32
COC(=O)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1OC(C)C	REAL300013409129	1	55	0.0	-39.02	424.41	8.91	-30.11
CC1=CN(C2=CC=C(Cl)C=C2)N=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013409203	1	49	0.0	-42.83	405.41	9.72	-33.11
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC3=NON=C32)CC1	REAL300013409273	1	40	0.0	-37.49	322.19	4.99	-32.50
CC1=C(C)SC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013409327	1	41	0.0	-37.98	332.18	5.61	-32.37
CCC1=C(C)SC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013409396	1	44	0.0	-37.70	354.10	6.36	-31.34
CCC1CCC2=C(C1)SC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)=N2	REAL300013409476	1	51	0.0	-39.84	396.90	8.58	-31.26
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC3=C(CCCCCC3)S2)CC1	REAL300013409622	1	51	0.0	-39.75	383.27	8.16	-31.59
CCCC1CCC2=C(C1)SC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)=N2	REAL300013409756	1	54	0.0	-39.80	418.37	9.35	-30.45
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC3=C(COCC3)S2)CC1	REAL300013409832	1	43	0.0	-38.83	346.16	4.51	-34.32
CC(C)(C)C1CCC2=C(C1)SC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)=N2	REAL300013409913	1	57	0.0	-39.62	426.45	9.35	-30.27
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC(C3CCC3)=CS2)CC1	REAL300013409998	1	45	0.0	-37.29	357.95	6.86	-30.43
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300013410099	1	52	0.0	-36.85	388.35	8.11	-28.74
N#CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1OC(F)(F)F	REAL300013410181	1	44	0.0	-42.12	373.10	6.33	-35.79
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(C)=C1Cl	REAL300013410315	1	45	0.0	-37.25	361.31	7.82	-29.43
COC1=CN=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013410373	1	39	0.0	-41.05	326.14	4.28	-36.77
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OCC(F)(F)F)C(F)=C2)CC1	REAL300013410500	1	46	0.0	-44.45	384.04	6.87	-37.58
N#CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013410601	1	39	0.0	-45.30	322.97	4.65	-40.65
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(OCCC3=CC=CC=C3)=C2)CC1	REAL300013410665	1	56	0.0	-37.78	439.64	10.17	-27.61
CNC(=O)CNC(=O)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013410799	1	53	0.0	-46.74	422.31	2.90	-43.84
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC([N+](=O)[O-])=C2Cl)CC1	REAL300013410876	1	41	0.0	-39.50	345.26	7.31	-32.19
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=NN1CC1=CC=CC=C1F	REAL300013410960	1	51	0.0	-51.16	412.15	8.23	-42.93
CC(C)(C)C1=CC=C(Cl)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013411121	1	51	0.0	-41.14	389.32	9.74	-31.40
COC(=O)C1=C(F)C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013411207	1	45	0.0	-43.39	375.91	6.93	-36.46
CC1=NC(C(F)(F)F)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013411291	1	44	0.0	-40.00	359.48	6.28	-33.72
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OC(F)F)C=C2F)CC1	REAL300013411377	1	43	0.0	-38.08	351.55	5.84	-32.24
COC1=CC=C(C2=CC=C(C)C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)C=N1	REAL300013411461	1	55	0.0	-40.05	425.75	7.09	-32.96
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(Br)=C(Cl)C=N2)CC1	REAL300013411537	1	38	0.0	-38.94	339.72	6.90	-32.04
CC1=CC=C(C2=CN=CC(F)=C2)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013411674	1	51	0.0	-38.30	400.03	8.67	-29.63
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(SC(F)(F)F)C=C2)CC1	REAL300013411753	1	43	0.0	-38.13	363.28	7.58	-30.55
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(N3C=CC=N3)=C2)CC1	REAL300013411942	1	46	0.0	-44.36	365.56	7.35	-37.01
CN(C)C1=C(Cl)C=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013412146	1	47	0.0	-35.33	369.29	6.12	-29.21
CCC(=O)NC1=CC=C(Cl)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013412231	1	49	0.0	-40.11	397.48	6.45	-33.66
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CC(C)N(C)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013412393	1	53	0.0	-39.80	404.36	6.91	-32.89
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CN(C1=CC=CC=C1)C1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013412624	1	54	0.0	-36.59	417.98	10.39	-26.20
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CC1=CC=C(Br)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013413227	1	42	0.0	-37.94	346.45	7.65	-30.29
CC(C)C1=NC=CN1CC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013413306	1	58	0.0	-42.35	447.83	10.07	-32.28
CN(C)C(=O)COC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013413410	1	53	0.0	-49.37	414.65	6.96	-42.41
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CCOC1=CC(F)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013413730	1	46	0.0	-35.88	362.91	6.55	-29.33
COC(=O)NC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013413811	1	47	0.0	-43.34	374.49	4.37	-38.97
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CC(C)(C)NC(=O)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013413979	1	55	0.0	-44.09	419.07	6.55	-37.54
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CN1CC(=O)N(C2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)C1=O	REAL300013414673	1	51	0.0	-47.75	400.06	6.55	-41.20
CC(C)COC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013414748	1	52	0.0	-39.15	400.17	7.86	-31.29
COC(=O)NC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013414833	1	47	0.0	-40.16	374.56	4.33	-35.83
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CCCOC1=CC=C(Cl)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013415325	1	49	0.0	-36.16	394.72	7.78	-28.38
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CCCOC1=CC(C)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013415599	1	52	0.0	-35.89	399.94	7.97	-27.92
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C(=O)N(C)C	REAL300013415873	1	52	0.0	-42.02	399.41	6.64	-35.38
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CC1CCN(C2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2)CC1	REAL300013416239	1	57	0.0	-36.71	420.78	7.95	-28.76
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CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013416855	1	53	0.0	-36.77	417.94	9.76	-27.01
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CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CN=C1Cl	REAL300013417178	1	41	0.0	-38.50	337.41	5.38	-33.12
CC1=CC(Br)=NC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013417258	1	41	0.0	-40.20	341.61	5.71	-34.49
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(=O)N(C)C=C1	REAL300013417323	1	45	0.0	-45.61	354.26	6.43	-39.18
COC1=CC(OC)=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013417403	1	47	0.0	-40.01	370.30	4.91	-35.10
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COC1=CC=C(F)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013417548	1	43	0.0	-37.54	341.22	5.53	-32.01
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CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=N1	REAL300013417744	1	44	0.0	-42.35	341.00	5.79	-36.56
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CN(C1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)S(C)(=O)=O	REAL300013418225	1	50	0.0	-43.14	403.73	4.61	-38.53
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COC1=CC(F)=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013418534	1	43	0.0	-38.26	347.99	5.63	-32.63
CC1=CC(N2CCCCC2C)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013418702	1	60	0.0	-36.64	439.89	8.93	-27.71
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COC(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CN1C	REAL300013418858	1	46	0.0	-45.01	365.90	6.32	-38.69
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CN1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C(Br)C1=O	REAL300013419085	1	42	0.0	-52.32	355.31	5.52	-46.80
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CCOC(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C(F)C=C1C	REAL300013419794	1	51	0.0	-38.14	404.57	8.39	-29.75
CC1=NC(CN2N=NC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2C)=NO1	REAL300013419875	1	49	0.0	-48.83	398.13	3.74	-45.09
CCOC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C	REAL300013420055	1	49	0.0	-37.67	378.29	7.10	-30.57
CN(CC(N)=O)C(=O)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013420138	1	53	0.0	-53.65	418.07	3.44	-50.21
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COC1=CC=C(CN2C=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=N2)C=C1	REAL300013420299	1	53	0.0	-48.48	420.22	7.06	-41.42
COC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C(Cl)C=C1C(N)=O	REAL300013420374	1	47	0.0	-44.22	385.52	4.17	-40.05
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CNS(=O)(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1F	REAL300013420669	1	47	0.0	-46.32	381.22	2.08	-44.24
CCC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1F	REAL300013420729	1	45	0.0	-37.56	355.34	7.59	-29.97
CC(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1F	REAL300013420909	1	44	0.0	-43.61	351.96	6.60	-37.01
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C(Cl)C=C1F	REAL300013420992	1	42	0.0	-38.67	347.45	7.45	-31.22
COCC1=CN=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013421069	1	42	0.0	-41.09	349.15	4.60	-36.49
COC1=CC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2C=C1	REAL300013421149	1	49	0.0	-39.78	382.87	7.71	-32.07
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COCCCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1OC	REAL300013421313	1	57	0.0	-41.32	442.63	6.11	-35.21
COCCNC(=O)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013421391	1	53	0.0	-46.24	418.43	4.33	-41.91
CC1=CC(N2CCCCCC2)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013421472	1	60	0.0	-36.89	430.51	8.63	-28.26
COC1=CC=C(CS(C)(=O)=O)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013421544	1	52	0.0	-46.72	419.62	3.73	-42.99
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(F)C=C2OC2CCOCC2)CC1	REAL300013421615	1	54	0.0	-36.77	414.41	6.77	-30.00
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COCCC1=CC=NC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013421749	1	48	0.0	-40.25	379.96	6.35	-33.90
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=N1	REAL300013421807	1	42	0.0	-38.39	333.96	2.84	-35.55
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CC(C)(CNC(=O)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013429331	0	55	0.0	-77.43	415.56	8.55	-68.88
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(OCC[NH+]3CCCCC3)C=C2)C1	REAL300013429332	0	56	0.0	-81.34	420.11	9.96	-71.38
CC(CN(C)C(=O)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013429333	0	55	0.0	-75.01	411.03	9.77	-65.24
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(OCC[NH+]3CCCCC3)C=C2)C1	REAL300013429334	0	59	0.0	-65.97	431.34	11.11	-54.86
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(OCC[NH+]3CCCCC3)C=C2)CC1	REAL300013429335	0	59	0.0	-77.40	428.76	10.61	-66.79
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CC1CCN(C(=O)NC2=CC=C(OCC[NH+]3CCCCC3)C=C2)CC1C(=O)[O-]	REAL300013429337	0	59	0.0	-75.08	431.84	10.73	-64.35
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CCCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=C1	REAL300013433788	1	52	0.0	-41.73	397.35	8.01	-33.72
CCCCOC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013433890	1	52	0.0	-35.89	400.03	8.09	-27.80
COC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C	REAL300013433985	1	46	0.0	-37.89	356.44	6.16	-31.73
O=C([O-])C1CCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CC1	REAL300013434025	1	53	0.0	-78.20	399.24	9.00	-69.20
O=C([O-])CC1=CC=CC(NC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)=C1	REAL300013434026	1	53	0.0	-78.69	419.63	9.28	-69.41
O=C([O-])C1=CC=C(CNC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C=C1	REAL300013434027	1	53	0.0	-82.45	423.52	8.62	-73.83
CC(C)(CCC(=O)[O-])NC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434028	1	55	0.0	-74.94	412.27	7.45	-67.49
O=C([O-])C1CN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CCO1	REAL300013434029	1	51	0.0	-82.75	392.49	7.43	-75.32
CN(CCC(=O)[O-])C(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434030	1	49	0.0	-78.96	381.54	8.13	-70.83
O=C([O-])C1CCC(NC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CC1	REAL300013434031	1	56	0.0	-76.66	421.71	8.74	-67.92
O=C([O-])CCCCNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434032	1	52	0.0	-80.66	407.24	7.29	-73.37
O=C([O-])C1=CC(CNC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)=CC=C1	REAL300013434033	1	53	0.0	-82.43	423.50	8.61	-73.82
O=C([O-])CCNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434034	1	46	0.0	-78.40	364.24	5.72	-72.68
O=C([O-])CCCCCNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434035	1	55	0.0	-79.93	428.74	8.08	-71.85
CC(O)(CNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300013434036	1	50	0.0	-76.67	392.74	4.06	-72.61
CC(C)(CNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300013434037	1	52	0.0	-80.65	399.09	7.18	-73.47
O=C([O-])CCC1=CC=CC(NC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)=C1	REAL300013434038	1	56	0.0	-79.39	441.03	10.08	-69.31
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434039	1	53	0.0	-85.52	402.70	8.63	-76.89
CC(CN(C)C(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300013434040	1	52	0.0	-78.66	395.89	8.41	-70.25
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434041	1	56	0.0	-70.92	420.01	9.62	-61.30
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CC1	REAL300013434042	1	56	0.0	-80.22	411.48	9.32	-70.90
O=C([O-])CCCNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434043	1	49	0.0	-76.59	385.74	6.51	-70.08
CC1CCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CC1C(=O)[O-]	REAL300013434044	1	56	0.0	-81.27	415.55	9.40	-71.87
O=C([O-])C1(CNC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CCOCC1	REAL300013434045	1	57	0.0	-72.47	426.55	6.54	-65.93
CC(C)(CCNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300013434046	1	55	0.0	-77.44	419.02	7.40	-70.04
CCC(CC)(CNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300013434047	1	58	0.0	-74.62	430.22	8.44	-66.18
O=C([O-])CC1(NC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CCC1	REAL300013434048	1	53	0.0	-75.22	405.31	8.02	-67.20
CC(CNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300013434049	1	49	0.0	-79.47	382.78	6.47	-73.00
CC(C)C(CNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300013434050	1	55	0.0	-75.85	421.53	7.67	-68.18
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434051	1	53	0.0	-77.06	407.45	7.80	-69.26
O=C([O-])CCC1CCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CC1	REAL300013434052	1	59	0.0	-81.15	440.07	10.46	-70.69
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1=CC=C(CC[NH+]3CCOCC3)C=C1)C2	REAL300013434053	1	55	0.0	-78.04	417.02	7.27	-70.77
O=C([O-])C1(CNC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CCCC1	REAL300013434054	1	56	0.0	-74.93	424.19	8.56	-66.37
CC1CN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CCC1C(=O)[O-]	REAL300013434055	1	56	0.0	-77.75	412.83	9.72	-68.03
O=C([O-])C1(CNC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CCC1	REAL300013434056	1	53	0.0	-73.34	406.86	7.77	-65.57
O=C([O-])CC(CNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1)C1CC1	REAL300013434057	1	56	0.0	-80.58	431.75	8.59	-71.99
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CC1	REAL300013434058	1	56	0.0	-80.22	411.48	9.32	-70.90
CC(C)C[C@H](CNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1)CC(=O)[O-]	REAL300013434059	1	61	0.0	-79.80	451.79	8.98	-70.82
O=C([O-])C1(CNC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CC1	REAL300013434060	1	50	0.0	-72.66	391.38	7.45	-65.21
O=C([O-])C1=CC=CC=C1CNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434061	1	53	0.0	-80.58	417.13	8.73	-71.85
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434062	1	57	0.0	-81.94	434.92	8.59	-73.35
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434063	1	50	0.0	-77.55	390.60	7.12	-70.43
O=C([O-])[C@@H]1CCCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434065	1	53	0.0	-81.95	398.99	9.04	-72.91
O=C([O-])[C@H]1CCCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434066	1	53	0.0	-82.15	400.93	9.00	-73.15
O=C([O-])C1CC(NC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434067	1	50	0.0	-77.41	390.97	7.12	-70.29
O=C([O-])[C@H]1C[C@H](NC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434068	1	50	0.0	-78.70	391.12	7.14	-71.56
O=C([O-])C1=CC(CNC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)=CC=C1	REAL300013434069	1	53	0.0	-82.43	423.50	8.61	-73.82
CCC(CNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300013434070	1	52	0.0	-75.27	404.74	7.18	-68.09
O=C([O-])CCC1CCCCN1C(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434071	1	59	0.0	-82.97	433.74	10.41	-72.56
O=C([O-])CCCCCCCNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434072	1	61	0.0	-81.55	471.73	9.64	-71.91
O=C([O-])CCCCCCNC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434073	1	58	0.0	-81.98	450.23	8.86	-73.12
CN(CCCC(=O)[O-])C(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434074	1	52	0.0	-80.94	403.04	8.94	-72.00
CC1(C(=O)[O-])CCCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434075	1	56	0.0	-83.11	414.87	9.78	-73.33
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434076	1	56	0.0	-71.60	434.99	8.27	-63.33
O=C([O-])CCC1CCCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434077	1	59	0.0	-81.38	440.51	10.42	-70.96
O=C([O-])C(=O)N1CCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CC1	REAL300013434078	1	54	0.0	-73.82	411.47	7.82	-66.00
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434079	1	56	0.0	-72.11	416.88	9.58	-62.53
O=C([O-])C1(O)CCCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434080	1	54	0.0	-78.81	408.44	6.59	-72.22
O=C([O-])CN1C=NC(NC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)=C1	REAL300013434081	1	50	0.0	-77.11	399.93	9.28	-67.83
O=C([O-])C12CC(NC(=O)NC3=CC=C(CC[NH+]4CCOCC4)C=C3)(C1)C2	REAL300013434082	1	51	0.0	-81.46	400.68	7.34	-74.12
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CC1	REAL300013434083	1	56	0.0	-76.77	421.70	8.74	-68.03
O=C([O-])[C@H]1CC[C@H](CNC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CC1	REAL300013434084	1	59	0.0	-81.68	445.61	9.06	-72.62
O=C([O-])CC1CCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CC1	REAL300013434085	1	56	0.0	-80.23	417.76	9.68	-70.55
O=C([O-])COC1CCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CC1	REAL300013434086	1	57	0.0	-81.34	434.30	9.11	-72.23
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434087	1	56	0.0	-77.95	426.14	8.30	-69.65
O=C([O-])C1CCCC(NC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434088	1	56	0.0	-77.66	425.60	8.29	-69.37
O=C([O-])C1(CNC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CCCOC1	REAL300013434089	1	57	0.0	-73.34	428.08	6.88	-66.46
O=C([O-])C1(CNC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CCOC1	REAL300013434090	1	54	0.0	-73.97	412.88	5.85	-68.12
O=C([O-])C1CC2CCC1N2C(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434091	1	54	0.0	-78.74	404.50	9.44	-69.30
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1=CC=C(CC[NH+]3CCOCC3)C=C1)C2	REAL300013434092	1	51	0.0	-79.06	402.70	7.80	-71.26
O=C([O-])C1(CNC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CC1	REAL300013434093	1	50	0.0	-72.66	391.38	7.45	-65.21
O=C([O-])C1CN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CC12CCC2	REAL300013434094	1	57	0.0	-73.85	427.77	9.81	-64.04
CC1(C(=O)[O-])CN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CCO1	REAL300013434095	1	54	0.0	-81.13	407.02	8.29	-72.84
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434096	1	57	0.0	-81.30	433.15	8.00	-73.30
O=C([O-])C1CCN(C(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)C1	REAL300013434097	1	50	0.0	-79.82	386.88	8.08	-71.74
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1=CC=C(CC[NH+]3CCOCC3)C=C1)C2	REAL300013434098	1	51	0.0	-82.25	401.65	7.82	-74.43
O=C([O-])CC1(NC(=O)NC2=CC=C(CC[NH+]3CCOCC3)C=C2)CCCCC1	REAL300013434099	1	59	0.0	-75.89	430.21	9.83	-66.06
CC(CCC(=O)[O-])NC(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300013434100	1	52	0.0	-75.17	405.22	7.56	-67.61
O=C([O-])C1CCN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CC1	REAL300013434101	0	55	0.0	-75.69	408.23	11.41	-64.28
O=C([O-])CC1=CC=CC(NC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)=C1	REAL300013434102	0	55	0.0	-75.36	428.39	11.71	-63.65
O=C([O-])C1=CC=C(CNC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C=C1	REAL300013434103	0	55	0.0	-79.20	432.25	11.05	-68.15
CC(C)(CCC(=O)[O-])NC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434104	0	57	0.0	-71.97	421.01	9.89	-62.08
O=C([O-])C1CN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CCO1	REAL300013434105	0	53	0.0	-78.48	400.96	9.89	-68.59
CN(CCC(=O)[O-])C(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434106	0	51	0.0	-76.07	390.28	10.56	-65.51
O=C([O-])C1CCC(NC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CC1	REAL300013434107	0	58	0.0	-73.24	430.45	11.17	-62.07
O=C([O-])CCCCNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434108	0	54	0.0	-77.66	415.97	9.74	-67.92
O=C([O-])C1=CC(CNC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)=CC=C1	REAL300013434109	0	55	0.0	-79.43	432.24	11.05	-68.38
O=C([O-])CCNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434110	0	48	0.0	-75.50	372.97	8.16	-67.34
O=C([O-])CCCCCNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434111	0	57	0.0	-76.90	437.47	10.52	-66.38
CC(O)(CNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013434112	0	52	0.0	-73.78	401.48	6.51	-67.27
CC(C)(CNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013434113	0	54	0.0	-77.81	408.41	9.62	-68.19
O=C([O-])CCC1=CC=CC(NC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)=C1	REAL300013434114	0	58	0.0	-76.10	449.79	12.51	-63.59
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434115	0	55	0.0	-82.56	411.43	11.06	-71.50
CC(CN(C)C(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013434116	0	54	0.0	-75.78	404.62	10.83	-64.95
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434117	0	58	0.0	-68.08	425.12	12.28	-55.80
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CC1	REAL300013434118	0	58	0.0	-76.87	420.21	11.75	-65.12
O=C([O-])CCCNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434119	0	51	0.0	-73.59	394.47	8.95	-64.64
CC1CCN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CC1C(=O)[O-]	REAL300013434120	0	58	0.0	-77.73	424.28	11.84	-65.89
O=C([O-])C1(CNC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CCOCC1	REAL300013434121	0	59	0.0	-69.45	435.28	8.96	-60.49
CC(C)(CCNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013434122	0	57	0.0	-74.49	427.18	9.83	-64.66
CCC(CC)(CNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013434123	0	60	0.0	-69.95	435.36	10.80	-59.15
O=C([O-])CC1(NC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CCC1	REAL300013434124	0	55	0.0	-70.17	414.09	10.53	-59.64
CC(CNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013434125	0	51	0.0	-76.52	391.52	8.92	-67.60
CC(C)C(CNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013434126	0	57	0.0	-70.44	425.01	10.21	-60.23
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434127	0	55	0.0	-72.37	415.93	10.19	-62.18
O=C([O-])CCC1CCN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CC1	REAL300013434128	0	61	0.0	-76.59	449.07	12.88	-63.71
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1=CC=C(CC[NH+]3CCCCC3)C=C1)C2	REAL300013434129	0	57	0.0	-74.79	425.51	9.73	-65.06
O=C([O-])C1(CNC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CCCC1	REAL300013434130	0	58	0.0	-71.88	432.93	11.01	-60.87
CC1CN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CCC1C(=O)[O-]	REAL300013434131	0	58	0.0	-74.36	421.28	12.17	-62.19
O=C([O-])C1(CNC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CCC1	REAL300013434132	0	55	0.0	-70.24	415.58	10.19	-60.05
O=C([O-])CC(CNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1)C1CC1	REAL300013434133	0	58	0.0	-77.53	440.48	11.01	-66.52
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CC1	REAL300013434134	0	58	0.0	-76.87	420.21	11.75	-65.12
CC(C)C[C@H](CNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1)CC(=O)[O-]	REAL300013434135	0	63	0.0	-76.39	460.48	11.41	-64.98
O=C([O-])C1(CNC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CC1	REAL300013434136	0	52	0.0	-68.74	399.48	9.81	-58.93
O=C([O-])C1=CC=CC=C1CNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434137	0	55	0.0	-77.37	425.87	11.15	-66.22
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434138	0	59	0.0	-78.88	443.66	11.02	-67.86
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434139	0	52	0.0	-74.24	399.57	9.51	-64.73
O=C([O-])CN1CCC(NC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CC1	REAL300013434140	0	60	0.0	-77.70	447.54	8.53	-69.17
O=C([O-])[C@@H]1CCCN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434141	0	55	0.0	-79.75	408.99	11.46	-68.29
O=C([O-])[C@H]1CCCN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434142	0	55	0.0	-78.62	409.66	11.44	-67.18
O=C([O-])C1CC(NC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434143	0	52	0.0	-74.23	399.49	9.49	-64.74
O=C([O-])[C@H]1C[C@H](NC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434144	0	52	0.0	-75.36	399.85	9.56	-65.80
O=C([O-])C1=CC(CNC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)=CC=C1	REAL300013434145	0	55	0.0	-79.43	432.24	11.05	-68.38
CCC(CNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013434146	0	54	0.0	-70.10	408.46	9.73	-60.37
O=C([O-])CCC1CCCCN1C(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434147	0	61	0.0	-79.38	442.47	12.83	-66.55
O=C([O-])CCCCCCCNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434148	0	63	0.0	-78.50	480.47	12.08	-66.42
O=C([O-])CCCCCCNC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434149	0	60	0.0	-79.07	458.97	11.30	-67.77
CN(CCCC(=O)[O-])C(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434150	0	54	0.0	-78.21	411.78	11.37	-66.84
CC1(C(=O)[O-])CCCN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434151	0	58	0.0	-77.72	422.22	12.20	-65.52
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434152	0	58	0.0	-68.40	443.73	10.70	-57.70
O=C([O-])CCC1CCCN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434153	0	61	0.0	-77.86	449.25	12.85	-65.01
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CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434155	0	58	0.0	-67.64	424.18	12.02	-55.62
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O=C([O-])C12CC(NC(=O)NC3=CC=C(CC[NH+]4CCCCC4)C=C3)(C1)C2	REAL300013434158	0	53	0.0	-78.58	409.41	9.77	-68.81
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CC1	REAL300013434159	0	58	0.0	-73.57	430.44	11.17	-62.40
O=C([O-])[C@H]1CC[C@H](CNC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CC1	REAL300013434160	0	61	0.0	-78.66	454.35	11.50	-67.16
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O=C([O-])COC1CCN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CC1	REAL300013434162	0	59	0.0	-78.68	443.30	11.50	-67.18
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434163	0	58	0.0	-74.95	434.37	10.72	-64.23
O=C([O-])C1CCCC(NC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434164	0	58	0.0	-74.65	434.34	10.72	-63.93
O=C([O-])C1(CNC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CCCOC1	REAL300013434165	0	59	0.0	-74.97	439.88	9.58	-65.39
O=C([O-])C1(CNC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CCOC1	REAL300013434166	0	56	0.0	-70.86	421.62	8.28	-62.58
O=C([O-])C1CC2CCC1N2C(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434167	0	56	0.0	-75.90	413.51	11.85	-64.05
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1=CC=C(CC[NH+]3CCCCC3)C=C1)C2	REAL300013434168	0	53	0.0	-75.59	410.96	10.19	-65.40
O=C([O-])C1(CNC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CC1	REAL300013434169	0	52	0.0	-68.74	399.48	9.81	-58.93
O=C([O-])C1CN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CC12CCC2	REAL300013434170	0	59	0.0	-70.67	436.51	12.25	-58.42
CC1(C(=O)[O-])CN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CCO1	REAL300013434171	0	56	0.0	-78.99	415.54	10.72	-68.27
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434172	0	59	0.0	-82.27	440.54	10.57	-71.70
O=C([O-])C1CCN(C(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)C1	REAL300013434173	0	52	0.0	-76.45	395.61	10.52	-65.93
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1=CC=C(CC[NH+]3CCCCC3)C=C1)C2	REAL300013434174	0	53	0.0	-78.92	410.39	10.25	-68.67
O=C([O-])CC1(NC(=O)NC2=CC=C(CC[NH+]3CCCCC3)C=C2)CCCCC1	REAL300013434175	0	61	0.0	-73.17	438.50	12.24	-60.93
CC(CCC(=O)[O-])NC(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300013434176	0	54	0.0	-72.22	413.96	9.99	-62.23
CCOC(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1Cl	REAL300013434217	1	48	0.0	-42.54	396.07	8.09	-34.45
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(N3CCOC3=O)C=C2)CC1	REAL300013434389	1	48	0.0	-44.34	375.59	6.18	-38.16
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C3=NC=CS3)=C2)CC1	REAL300013434475	1	45	0.0	-41.58	371.73	7.03	-34.55
CCCCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=C1	REAL300013434561	1	55	0.0	-41.63	418.85	8.80	-32.83
COCCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1Cl	REAL300013434647	1	50	0.0	-42.28	407.90	6.16	-36.12
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2OC2=CC=CC(F)=C2)CC1	REAL300013434724	1	50	0.0	-37.25	400.89	9.18	-28.07
CC1=CC(C(=O)NC(C)C)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013434802	1	55	0.0	-45.36	422.98	6.96	-38.40
CCN1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=CC1=O	REAL300013434867	1	45	0.0	-45.46	357.01	5.84	-39.62
CC1=NOC(C2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)=N1	REAL300013434945	1	47	0.0	-46.04	379.60	5.44	-40.60
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(C(F)(F)F)=CNC2=O)CC1	REAL300013435064	1	42	0.0	-44.37	351.40	5.24	-39.13
COC1=CC=C(Br)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013435150	1	43	0.0	-37.05	356.47	6.20	-30.85
CCCCOC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013435418	1	52	0.0	-39.07	401.21	7.93	-31.14
COCCCOC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013435505	1	53	0.0	-37.47	412.20	6.38	-31.09
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(Cl)N=C2)CC1	REAL300013435565	1	38	0.0	-42.72	318.91	4.77	-37.95
CCCNC(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1Cl	REAL300013435661	1	52	0.0	-46.19	418.73	6.52	-39.67
CCC(C)NC(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013435739	1	55	0.0	-41.46	425.97	7.02	-34.44
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CN=C2N2CCOCC2)CC1	REAL300013435820	1	51	0.0	-38.57	386.92	5.09	-33.48
CCOC1=C(Cl)C=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013436016	1	46	0.0	-36.30	376.36	7.19	-29.11
CC1=CC=CC(C)=C1OC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013436098	1	56	0.0	-36.44	434.42	10.50	-25.94
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(N3CCOC3=O)=CC=C2F)CC1	REAL300013436174	1	48	0.0	-47.11	381.00	6.33	-40.78
CCOC(=O)N(C)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013436255	1	53	0.0	-41.34	420.19	7.58	-33.76
CC(C)OC1=CC=C(C#N)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013436337	1	50	0.0	-39.24	396.11	7.57	-31.67
CC1=C(C)OC(C2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)=N1	REAL300013436424	1	51	0.0	-48.52	406.35	6.00	-42.52
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3CCC4=C3C2=CC=C4)CC1	REAL300013436564	1	49	0.0	-43.01	373.51	9.60	-33.41
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(N3CCCCC3)=C2)CC1	REAL300013436650	1	54	0.0	-37.61	399.78	7.41	-30.20
CN(C)C(=O)CC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013436736	1	52	0.0	-42.89	401.96	7.25	-35.64
N#CC1=CC=CC=C1OC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013436820	1	51	0.0	-43.73	416.18	9.35	-34.38
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OC3CCCC3)C(Cl)=C2)CC1	REAL300013436925	1	53	0.0	-37.44	418.12	8.92	-28.52
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(N3C=CN=N3)=C2)CC1	REAL300013437054	1	45	0.0	-53.33	359.27	6.04	-47.29
CC[NH+](CC)CCCNC(=O)C1=CC=C(NC(=O)NCCC(=O)[O-])C=C1Cl	REAL300013437103	0	54	0.0	-87.55	431.29	6.31	-81.24
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013437108	1	49	0.0	-62.46	366.19	5.97	-56.49
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300013437109	1	49	0.0	-62.87	386.69	6.25	-56.62
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013437110	1	49	0.0	-68.11	389.64	5.55	-62.56
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013437111	1	51	0.0	-58.74	378.41	4.38	-54.36
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013437112	1	47	0.0	-65.60	357.53	4.32	-61.28
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N(C)CCC(=O)[O-]	REAL300013437113	1	45	0.0	-61.81	348.08	5.02	-56.79
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013437114	1	52	0.0	-67.62	393.22	5.28	-62.34
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCCCCC(=O)[O-]	REAL300013437115	1	48	0.0	-64.75	373.37	4.22	-60.53
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013437116	1	49	0.0	-66.18	389.63	5.54	-60.64
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCCC(=O)[O-]	REAL300013437117	1	42	0.0	-60.06	330.37	2.65	-57.41
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCCCCCC(=O)[O-]	REAL300013437118	1	51	0.0	-64.33	394.87	5.00	-59.33
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC(C)(O)C(=O)[O-]	REAL300013437119	1	46	0.0	-58.81	358.47	0.94	-57.87
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013437120	1	48	0.0	-63.22	365.23	4.11	-59.11
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300013437121	1	52	0.0	-65.22	408.09	7.05	-58.17
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013437122	1	49	0.0	-61.91	371.59	5.61	-56.30
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N(C)CC(C)C(=O)[O-]	REAL300013437123	1	48	0.0	-63.91	362.40	5.57	-58.34
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013437124	1	52	0.0	-48.82	381.26	6.70	-42.12
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013437125	1	52	0.0	-62.41	377.90	6.12	-56.29
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCCCC(=O)[O-]	REAL300013437126	1	45	0.0	-59.57	351.87	3.44	-56.13
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013437127	1	52	0.0	-66.78	385.23	6.46	-60.32
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013437128	1	53	0.0	-51.66	390.33	3.64	-48.02
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013437129	1	51	0.0	-61.18	384.57	4.31	-56.87
CCC(CC)(CNC(=O)NC1=CC=C(N2CCOCC2)[NH+]=C1C)C(=O)[O-]	REAL300013437130	1	54	0.0	-49.74	393.25	5.40	-44.34
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013437131	1	49	0.0	-51.02	369.39	4.63	-46.39
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC(C)C(=O)[O-]	REAL300013437132	1	45	0.0	-61.56	348.92	3.40	-58.16
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013437133	1	51	0.0	-50.98	382.40	4.70	-46.28
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013437134	1	58	0.0	-67.00	424.91	6.04	-60.96
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013437135	1	55	0.0	-49.97	416.31	7.04	-42.93
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013437136	1	49	0.0	-60.44	374.24	4.76	-55.68
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013437137	1	55	0.0	-63.75	405.50	7.36	-56.39
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013437138	1	51	0.0	-60.44	383.13	4.20	-56.24
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013437139	1	52	0.0	-51.70	387.32	5.71	-45.99
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013437140	1	52	0.0	-61.27	377.86	6.61	-54.66
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013437141	1	49	0.0	-49.68	373.28	4.84	-44.84
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013437142	1	52	0.0	-61.93	398.70	5.55	-56.38
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013437143	1	52	0.0	-62.41	377.90	6.12	-56.29
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013437144	1	57	0.0	-57.70	423.89	6.02	-51.68
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013437145	1	46	0.0	-48.77	358.47	4.42	-44.35
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013437146	1	49	0.0	-55.31	383.28	5.63	-49.68
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(N3CCOCC3)[NH+]=C2C)C1	REAL300013437147	1	53	0.0	-64.65	404.59	4.65	-60.00
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013437148	1	46	0.0	-60.17	356.97	4.00	-56.17
CC1=NC(N2CCOCC2)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013437149	1	54	0.0	-39.83	405.90	5.16	-34.67
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013437150	1	49	0.0	-64.99	365.49	5.90	-59.09
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013437151	1	49	0.0	-50.90	367.96	5.97	-44.93
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013437152	1	46	0.0	-60.16	358.27	4.05	-56.11
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013437153	1	46	0.0	-62.22	356.91	4.04	-58.18
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013437154	1	49	0.0	-66.18	389.63	5.54	-60.64
CCC(CNC(=O)NC1=CC=C(N2CCOCC2)[NH+]=C1C)C(=O)[O-]	REAL300013437155	1	48	0.0	-52.73	370.87	4.11	-48.62
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013437156	1	55	0.0	-65.79	399.36	7.29	-58.50
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013437157	1	57	0.0	-66.53	437.86	6.57	-59.96
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCCCCCCC(=O)[O-]	REAL300013437158	1	54	0.0	-66.87	416.36	5.78	-61.09
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N(C)CCCC(=O)[O-]	REAL300013437159	1	48	0.0	-63.50	369.58	5.82	-57.68
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013437160	1	52	0.0	-66.26	380.25	6.56	-59.70
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=C(N3CCOCC3)[NH+]=C2C)C1	REAL300013437161	1	56	0.0	-69.16	411.34	6.37	-62.79
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(N2CCOCC2)[NH+]=C1C	REAL300013437162	1	52	0.0	-48.11	401.27	5.18	-42.93
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013437163	1	55	0.0	-66.34	405.85	7.34	-59.00
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013437164	1	53	0.0	-63.22	397.58	8.47	-54.75
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013437165	1	50	0.0	-56.66	376.63	4.35	-52.31
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013437166	1	52	0.0	-48.67	380.98	6.44	-42.23
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013437167	1	50	0.0	-63.02	374.83	3.42	-59.60
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013437168	1	53	0.0	-64.29	413.27	6.82	-57.47
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC1=CN(CC(=O)[O-])C=N1	REAL300013437169	1	46	0.0	-60.28	367.29	6.22	-54.06
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(N3CCOCC3)[NH+]=C2C)CC1	REAL300013437170	1	56	0.0	-66.95	409.63	6.08	-60.87
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013437171	1	47	0.0	-66.74	368.02	4.28	-62.46
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013437172	1	58	0.0	-62.91	412.67	6.24	-56.67
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013437173	1	52	0.0	-57.63	386.52	5.61	-52.02
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013437174	1	55	0.0	-67.08	412.04	5.96	-61.12
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013437175	1	52	0.0	-57.14	383.19	6.58	-50.56
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013437176	1	53	0.0	-65.24	399.47	5.96	-59.28
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013437177	1	52	0.0	-61.76	392.30	5.22	-56.54
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013437178	1	52	0.0	-58.95	388.24	5.68	-53.27
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013437179	1	53	0.0	-49.25	395.14	3.85	-45.40
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013437180	1	50	0.0	-52.54	379.94	2.82	-49.72
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1C2CCC1C(C(=O)[O-])C2	REAL300013437181	1	50	0.0	-64.11	375.03	6.41	-57.70
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013437182	1	47	0.0	-60.82	368.78	4.72	-56.10
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013437183	1	46	0.0	-48.77	358.47	4.42	-44.35
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013437184	1	53	0.0	-54.72	394.23	6.70	-48.02
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013437185	1	50	0.0	-66.71	373.30	5.15	-61.56
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(N3CCOCC3)[NH+]=C2C)C1	REAL300013437186	1	53	0.0	-64.78	397.77	4.82	-59.96
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N1CCC(C(=O)[O-])C1	REAL300013437187	1	46	0.0	-61.84	352.68	5.01	-56.83
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013437188	1	47	0.0	-66.80	367.78	4.74	-62.06
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC1(CC(=O)[O-])CCCCC1	REAL300013437189	1	55	0.0	-48.64	395.90	6.75	-41.89
CC1=[NH+]C(N2CCOCC2)=CC=C1NC(=O)NC(C)CCC(=O)[O-]	REAL300013437190	1	48	0.0	-57.95	371.62	4.45	-53.50
CC1=CC(C)=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(Br)=C1	REAL300013437231	1	45	0.0	-35.25	366.03	8.12	-27.13
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CN=C2Br)CC1	REAL300013437311	1	38	0.0	-37.20	320.25	5.05	-32.15
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(F)C=C2OC2CCCC2)CC1	REAL300013437417	1	53	0.0	-35.65	406.88	8.60	-27.05
CC1=C(C#N)C=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013437482	1	43	0.0	-42.22	343.08	7.21	-35.01
CC1=CC(F)=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013437534	1	42	0.0	-42.93	334.97	6.83	-36.10
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(Br)=N1	REAL300013437654	1	41	0.0	-37.15	341.85	5.66	-31.49
CCC(=O)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013437729	1	47	0.0	-44.40	370.34	7.42	-36.98
COC(=O)COC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1Cl	REAL300013437807	1	49	0.0	-47.05	408.78	7.57	-39.48
NC(=O)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013437920	1	42	0.0	-43.15	340.12	2.62	-40.53
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=NN1C1=CC=CC=C1	REAL300013438000	1	49	0.0	-41.83	382.88	7.76	-34.07
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=NN1C1=CC=CC=C1F	REAL300013438087	1	49	0.0	-44.90	390.80	7.94	-36.96
CC(C)OC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C#N	REAL300013438169	1	50	0.0	-44.22	397.45	7.46	-36.76
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(SC3CCCC3)C=C2)CC1	REAL300013438256	1	53	0.0	-37.61	409.22	9.81	-27.80
COC1=CC(NC(C)=O)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013438338	1	50	0.0	-43.78	391.23	4.49	-39.29
CC1=CN(C2=CC=C(C)C=C2NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=C1	REAL300013438425	1	52	0.0	-38.07	402.87	9.34	-28.73
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C3CNC(=O)C3)=C2)CC1	REAL300013438509	1	50	0.0	-43.16	387.22	5.00	-38.16
CCCCN1N=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C	REAL300013438591	1	51	0.0	-45.22	392.23	6.82	-38.40
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN(CC(F)(F)F)C=C2)CC1	REAL300013438673	1	42	0.0	-41.90	348.50	6.26	-35.64
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(Br)C(Cl)=C2)CC1	REAL300013438812	1	39	0.0	-38.63	343.00	7.19	-31.44
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=NN1C1=CC(C)=CC=C1C	REAL300013438889	1	55	0.0	-40.60	423.35	9.33	-31.27
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=NN1C1=CC=CC(Cl)=C1	REAL300013438966	1	49	0.0	-40.02	399.53	8.26	-31.76
CCC1=NC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013439017	1	43	0.0	-39.60	339.94	4.67	-34.93
CS(=O)(=O)CCC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013439083	1	51	0.0	-46.91	413.41	5.12	-41.79
CCC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)SC=N1	REAL300013439135	1	41	0.0	-38.42	332.95	4.77	-33.65
COC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013439196	1	54	0.0	-37.91	425.24	8.45	-29.46
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3C(=C2)C=NN3C(F)F)CC1	REAL300013439268	1	45	0.0	-45.71	366.25	6.17	-39.54
CC1=CC=C(NC(=O)N2CCC(C(=O)[O-])CC2)C(N(C)C)=[NH+]1	REAL300013439351	0	44	0.0	-60.81	341.18	6.64	-54.17
CC1=CC=C(NC(=O)NC2=CC=CC(CC(=O)[O-])=C2)C(N(C)C)=[NH+]1	REAL300013439352	0	44	0.0	-60.65	359.76	6.87	-53.78
CC1=CC=C(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(N(C)C)=[NH+]1	REAL300013439353	0	44	0.0	-65.81	362.58	6.31	-59.50
CC1=CC=C(NC(=O)NC(C)(C)CCC(=O)[O-])C(N(C)C)=[NH+]1	REAL300013439354	0	46	0.0	-56.69	351.36	5.14	-51.55
CC1=CC=C(NC(=O)N2CCOC(C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439355	0	42	0.0	-63.01	332.65	5.03	-57.98
CC1=CC=C(NC(=O)NC2CCC(C(=O)[O-])CC2)C(N(C)C)=[NH+]1	REAL300013439356	0	47	0.0	-64.29	365.99	5.91	-58.38
CC1=CC=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(N(C)C)=[NH+]1	REAL300013439357	0	44	0.0	-64.62	362.59	6.30	-58.32
CC1=CC=C(NC(=O)NCCCCCC(=O)[O-])C(N(C)C)=[NH+]1	REAL300013439358	0	46	0.0	-61.76	367.82	5.76	-56.00
CC1=CC=C(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C(N(C)C)=[NH+]1	REAL300013439359	0	54	0.0	-61.05	411.98	9.68	-51.37
CC1=CC=C(NC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C(N(C)C)=[NH+]1	REAL300013439360	0	47	0.0	-62.47	381.16	7.68	-54.79
CC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439361	0	44	0.0	-59.22	344.76	6.34	-52.88
CC1=CC=C(NC(=O)N2CC(C)CC(C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439362	0	47	0.0	-50.63	356.13	7.40	-43.23
CC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C(N(C)C)=[NH+]1	REAL300013439363	0	47	0.0	-60.63	352.96	6.82	-53.81
CC1=CC=C(NC(=O)N2CCC(C)C(C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439364	0	47	0.0	-52.08	358.22	7.19	-44.89
CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOCC2)C(N(C)C)=[NH+]1	REAL300013439365	0	48	0.0	-52.39	365.93	4.28	-48.11
CC1=CC=C(NC(=O)NCCC(C)(C)C(=O)[O-])C(N(C)C)=[NH+]1	REAL300013439366	0	46	0.0	-59.00	357.52	5.08	-53.92
CCC(CC)(CNC(=O)NC1=CC=C(C)[NH+]=C1N(C)C)C(=O)[O-]	REAL300013439367	0	49	0.0	-52.35	370.42	5.88	-46.47
CC1=CC=C(NC(=O)NC2(CC(=O)[O-])CCC2)C(N(C)C)=[NH+]1	REAL300013439368	0	44	0.0	-50.32	343.03	5.52	-44.80
CC1=CC=C(NC(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)C(N(C)C)=[NH+]1	REAL300013439369	0	55	0.0	-60.63	419.87	7.39	-53.24
CC1=CC=C(NC(=O)NCC(C(=O)[O-])C(C)C)C(N(C)C)=[NH+]1	REAL300013439370	0	46	0.0	-50.22	355.35	5.46	-44.76
CC1=CC=C(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(N(C)C)=[NH+]1	REAL300013439371	0	53	0.0	-62.42	396.51	6.78	-55.64
CC1=CC=C(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(N(C)C)=[NH+]1	REAL300013439372	0	50	0.0	-53.64	394.47	7.45	-46.19
CC1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439373	0	44	0.0	-58.66	346.98	5.40	-53.26
CC1=CC=C(NC(=O)N2CCC(CCC(=O)[O-])CC2)C(N(C)C)=[NH+]1	REAL300013439374	0	50	0.0	-61.71	380.49	8.02	-53.69
CC1=CC=C(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439375	0	46	0.0	-58.84	356.94	4.80	-54.04
CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCC2)C(N(C)C)=[NH+]1	REAL300013439376	0	47	0.0	-52.06	364.31	6.17	-45.89
CC1=CC=C(NC(=O)N2CCC(C(=O)[O-])C(C)C2)C(N(C)C)=[NH+]1	REAL300013439377	0	47	0.0	-59.56	352.92	7.30	-52.26
CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCC2)C(N(C)C)=[NH+]1	REAL300013439378	0	44	0.0	-50.72	346.32	5.47	-45.25
CC1=CC=C(NC(=O)NCC(CC(=O)[O-])C2CC2)C(N(C)C)=[NH+]1	REAL300013439379	0	47	0.0	-59.08	371.75	6.16	-52.92
CC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C(N(C)C)=[NH+]1	REAL300013439380	0	47	0.0	-60.63	352.96	6.82	-53.81
CC1=CC=C(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(N(C)C)=[NH+]1	REAL300013439381	0	52	0.0	-55.71	390.64	6.59	-49.12
CC1=CC=C(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C(N(C)C)=[NH+]1	REAL300013439382	0	44	0.0	-55.61	357.23	6.33	-49.28
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(C)[NH+]=C2N(C)C)C1	REAL300013439383	0	48	0.0	-62.18	377.64	5.28	-56.90
CC1=CC=C(NC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)C(N(C)C)=[NH+]1	REAL300013439385	0	54	0.0	-59.23	415.93	8.17	-51.06
CC1=CC=C(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439386	0	44	0.0	-50.41	339.41	6.68	-43.73
CC1=CC=C(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439387	0	44	0.0	-51.52	339.63	6.70	-44.82
CC1=CC=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(N(C)C)=[NH+]1	REAL300013439388	0	44	0.0	-64.62	362.59	6.30	-58.32
COC(=O)C1CC2(C1)CN(C(=O)NC1=CC=C(C)[NH+]=C1N(C)C)CC2C(=O)[O-]	REAL300013439389	0	54	0.0	-53.40	417.62	8.04	-45.36
CC1=CC=C(NC(=O)N2CCCCC2CCC(=O)[O-])C(N(C)C)=[NH+]1	REAL300013439390	0	50	0.0	-61.67	372.58	8.08	-53.59
CC1=CC=C(NC(=O)NCCCCCCCC(=O)[O-])C(N(C)C)=[NH+]1	REAL300013439391	0	52	0.0	-63.55	410.81	7.33	-56.22
CC1=CC=C(NC(=O)NCCCCCCC(=O)[O-])C(N(C)C)=[NH+]1	REAL300013439392	0	49	0.0	-63.78	389.31	6.54	-57.24
CC1=CC=C(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439393	0	47	0.0	-62.27	353.73	7.41	-54.86
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=C(C)[NH+]=C2N(C)C)C1	REAL300013439394	0	51	0.0	-65.22	385.12	7.22	-58.00
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(C)[NH+]=C1N(C)C	REAL300013439395	0	47	0.0	-50.20	374.22	5.93	-44.27
CC1=CC=C(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439396	0	53	0.0	-63.41	413.37	8.28	-55.13
CC1=CC=C(NC(=O)N2CCCC(CCC(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439397	0	50	0.0	-62.99	379.91	8.09	-54.90
CC1=CC=C(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439398	0	48	0.0	-60.95	371.36	9.32	-51.63
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2=CC=C(C)[NH+]=C2N(C)C)CCO1	REAL300013439399	0	55	0.0	-62.09	428.40	6.22	-55.87
CC1=CC=C(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C(N(C)C)=[NH+]1	REAL300013439400	0	45	0.0	-54.31	350.10	5.22	-49.09
CC1=CC=C(NC(=O)N2CC(C(=O)[O-])CCC2C)C(N(C)C)=[NH+]1	REAL300013439401	0	47	0.0	-50.02	354.61	7.23	-42.79
CC1=CC=C(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439402	0	51	0.0	-54.67	402.19	9.17	-45.50
CC1=CC=C(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439403	0	45	0.0	-59.87	348.33	4.24	-55.63
CC1=CC=C(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C(N(C)C)=[NH+]1	REAL300013439404	0	48	0.0	-62.59	386.31	7.45	-55.14
CC1=CC=C(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C(N(C)C)=[NH+]1	REAL300013439405	0	51	0.0	-68.20	390.78	6.51	-61.69
CC1=CC=C(NC(=O)NC2=CN(CC(=O)[O-])C=N2)C(N(C)C)=[NH+]1	REAL300013439406	0	41	0.0	-57.59	340.31	6.85	-50.74
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(C)[NH+]=C2N(C)C)CC1	REAL300013439407	0	51	0.0	-63.84	382.55	6.83	-57.01
CC1=CC=C(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C(N(C)C)=[NH+]1	REAL300013439408	0	42	0.0	-63.17	341.07	4.90	-58.27
CC1=CC=C(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C(N(C)C)=[NH+]1	REAL300013439409	0	53	0.0	-59.57	385.61	6.99	-52.58
CC1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(N(C)C)=[NH+]1	REAL300013439410	0	47	0.0	-57.63	361.70	6.36	-51.27
CC1=CC=C(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C(N(C)C)=[NH+]1	REAL300013439411	0	50	0.0	-64.52	385.22	6.70	-57.82
CC1=CC=C(NC(=O)N2CCC(CC(=O)[O-])CC2)C(N(C)C)=[NH+]1	REAL300013439412	0	47	0.0	-56.30	358.17	7.25	-49.05
CC1=CC=C(NC(=O)N2CCC(OCC(=O)[O-])CC2)C(N(C)C)=[NH+]1	REAL300013439413	0	48	0.0	-63.31	374.77	6.67	-56.64
CC1=CC=C(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439414	0	47	0.0	-59.69	365.22	5.98	-53.71
CC1=CC=C(NC(=O)NC2CCCC(C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439415	0	47	0.0	-57.82	361.03	6.32	-51.50
CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCOC2)C(N(C)C)=[NH+]1	REAL300013439416	0	48	0.0	-49.93	367.16	4.55	-45.38
CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOC2)C(N(C)C)=[NH+]1	REAL300013439417	0	45	0.0	-52.12	352.76	3.46	-48.66
CC1=CC=C(NC(=O)N2C3CCC2C(C(=O)[O-])C3)C(N(C)C)=[NH+]1	REAL300013439418	0	45	0.0	-63.94	349.00	7.09	-56.85
CC1=CC=C(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C(N(C)C)=[NH+]1	REAL300013439419	0	56	0.0	-64.95	438.58	8.61	-56.34
CC1=CC=C(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(N(C)C)=[NH+]1	REAL300013439420	0	42	0.0	-59.67	342.79	5.40	-54.27
CC1=CC=C(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C(N(C)C)=[NH+]1	REAL300013439421	0	48	0.0	-54.30	367.42	7.43	-46.87
CC1=CC=C(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C(N(C)C)=[NH+]1	REAL300013439422	0	44	0.0	-53.69	358.93	6.50	-47.19
CC1=CC=C(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C(N(C)C)=[NH+]1	REAL300013439423	0	45	0.0	-63.44	347.22	5.88	-57.56
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(C)[NH+]=C2N(C)C)C1	REAL300013439424	0	48	0.0	-60.88	371.13	5.68	-55.20
CC1=CC=C(NC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C(N(C)C)=[NH+]1	REAL300013439425	0	48	0.0	-64.57	392.64	8.39	-56.18
CC1=CC=C(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(N(C)C)=[NH+]1	REAL300013439426	0	42	0.0	-63.49	340.72	5.50	-57.99
CC1=CC=C(NC(=O)NC2(CC(=O)[O-])CCCCC2)C(N(C)C)=[NH+]1	REAL300013439427	0	50	0.0	-49.36	368.79	7.35	-42.01
CCOC(=O)NC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C#N	REAL300013439481	1	51	0.0	-41.18	414.26	5.74	-35.44
CC1=CC(Cl)=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1Cl	REAL300013439558	1	42	0.0	-35.69	356.79	7.86	-27.83
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(=O)N1C	REAL300013439627	1	45	0.0	-52.51	350.42	6.45	-46.06
CC1=CC(N(C)C)=CC(C)=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013439790	1	53	0.0	-37.20	395.03	7.99	-29.21
O=C([O-])C[NH+]1CCC(NC(=O)NC2=C3SC=CC3=CC=C2)CC1	REAL300013439871	1	42	0.0	-36.61	342.45	7.49	-29.12
COC(=O)C1=CC=C(C(=O)OC)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013439951	1	51	0.0	-40.31	412.39	7.79	-32.52
CCS(=O)(=O)NC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013440028	1	50	0.0	-45.51	402.22	3.76	-41.75
COC(=O)C1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=CS1	REAL300013440105	1	42	0.0	-36.94	346.44	6.01	-30.93
CCOC(=O)C1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013440189	1	48	0.0	-37.06	379.53	8.04	-29.02
COC(=O)C1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013440269	1	45	0.0	-37.38	357.67	7.11	-30.27
CCOC(=O)C1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)SC(C)=C1C	REAL300013440412	1	51	0.0	-39.15	415.27	8.28	-30.87
CC(C)C1=NN(C2=CC=CC=C2)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013440492	1	55	0.0	-40.89	424.66	10.30	-30.59
COC1=CC(F)=C(F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013440569	1	43	0.0	-42.47	347.21	5.66	-36.81
CC1=NC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C1=CC=CC=C1	REAL300013440658	1	51	0.0	-40.57	399.64	9.85	-30.72
CN1N=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C1CC1	REAL300013440725	1	46	0.0	-39.51	359.46	6.87	-32.64
N#CC1=CC(OC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2)=CC=N1	REAL300013440803	1	50	0.0	-41.10	411.00	7.48	-33.62
CC1=CC(C)=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=N1	REAL300013440863	1	47	0.0	-38.50	363.33	6.52	-31.98
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=CN=C1Cl	REAL300013440926	1	41	0.0	-42.54	333.62	5.54	-37.00
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=NN1C1CCCCC1	REAL300013441006	1	55	0.0	-38.65	412.61	8.83	-29.82
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(F)=C(F)C=C2N2CCCCC2)CC1	REAL300013441190	1	54	0.0	-36.82	415.53	8.14	-28.68
CC1(C)CCCC2=C1N=C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)S2	REAL300013441271	1	51	0.0	-37.58	392.51	7.91	-29.67
CCC1=CC=C([N+](=O)[O-])C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013441408	1	47	0.0	-43.07	373.39	8.47	-34.60
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(C3CC3)=CC=N2)CC1	REAL300013441498	1	45	0.0	-39.57	352.77	7.95	-31.62
CCSC1=CC=CC(F)=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013441638	1	46	0.0	-37.92	372.16	8.15	-29.77
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C3=CC=CC=N3)C=C2)CC1	REAL300013441721	1	48	0.0	-39.69	378.86	8.03	-31.66
COC(=O)C1=C(F)C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1F	REAL300013441808	1	45	0.0	-40.37	374.62	6.99	-33.38
CC1=NN(C)C2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C12	REAL300013442064	1	48	0.0	-46.61	378.52	6.68	-39.93
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C3CCC3)=C2)CC1	REAL300013442145	1	49	0.0	-40.98	372.90	8.67	-32.31
CC1=CN=C(Br)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013442229	1	41	0.0	-37.17	341.16	5.65	-31.52
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC3=C(C=N2)CCCC3)CC1	REAL300013442304	1	48	0.0	-39.71	366.05	8.31	-31.40
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=CC=C1C1=NC=CO1	REAL300013442442	1	48	0.0	-40.36	374.61	5.46	-34.90
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C1=CC=NC=C1	REAL300013442528	1	51	0.0	-39.27	399.22	8.53	-30.74
CNC(=O)OC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013442656	1	47	0.0	-44.03	377.90	4.24	-39.79
CC1=CC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C2N(C)C1=O	REAL300013442744	1	51	0.0	-48.52	394.23	7.58	-40.94
CC1=CC(F)=C(C(F)(F)F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013442828	1	45	0.0	-40.30	368.79	8.05	-32.25
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OC(F)F)C=N2)CC1	REAL300013442929	1	42	0.0	-44.29	342.68	5.33	-38.96
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(F)=CC(F)=C2F)CC1	REAL300013443061	1	39	0.0	-39.92	324.33	6.37	-33.55
NC(=O)CCNC(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013443144	1	53	0.0	-50.88	422.40	2.04	-48.84
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(OC)=C1C	REAL300013443219	1	50	0.0	-39.69	384.99	5.54	-34.15
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C3=CC=CC=C3)=C2)CC1	REAL300013443316	1	49	0.0	-37.76	381.09	9.54	-28.22
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=CC=C2)C(F)F)CC1	REAL300013443399	1	45	0.0	-36.72	358.96	7.24	-29.48
COC(=O)C(C)(C)C1=CSC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013443484	1	50	0.0	-40.92	405.69	6.86	-34.06
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(Br)C(C3CC3)=N2)CC1	REAL300013443675	1	45	0.0	-39.37	373.06	8.65	-30.72
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=CN=C1Br	REAL300013443753	1	41	0.0	-42.48	337.67	5.60	-36.88
CCC(C)OC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013443835	1	52	0.0	-37.73	397.98	7.82	-29.91
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C3CC3)=N2)CC1	REAL300013443905	1	45	0.0	-40.74	353.07	7.85	-32.89
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CN2C=CN=C12	REAL300013444010	1	45	0.0	-42.57	357.77	7.27	-35.30
COC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C(F)(F)F)=C1	REAL300013444095	1	46	0.0	-36.16	370.78	6.72	-29.44
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=NC=CS2)C(F)(F)F)CC1	REAL300013444177	1	41	0.0	-36.60	353.15	4.53	-32.07
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=NC(Br)=C2)CC1	REAL300013444263	1	38	0.0	-38.21	323.22	4.87	-33.34
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(Cl)=CC=C2OC(F)(F)F)CC1	REAL300013444347	1	43	0.0	-35.32	368.41	6.59	-28.73
COC1=CC(C(F)(F)F)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013444425	1	46	0.0	-36.57	374.22	6.59	-29.98
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C3CCOC3)C=C2)CC1	REAL300013444505	1	50	0.0	-37.93	381.63	6.73	-31.20
COC1=C(Cl)C=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013444590	1	43	0.0	-36.52	354.80	6.24	-30.28
CCC(C)OC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013444740	1	52	0.0	-38.08	397.81	7.83	-30.25
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(OCC2CCCO2)=C1	REAL300013444826	1	57	0.0	-41.35	434.95	7.61	-33.74
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(OCC(F)(F)F)=C1	REAL300013444906	1	49	0.0	-37.23	397.46	7.61	-29.62
CCC[NH+]1CCN(C2=CC=C(NC(=O)NCCCCC(=O)[O-])C=C2Cl)CC1	REAL300013444946	0	56	0.0	-80.41	444.68	8.58	-71.83
CCC[NH+]1CCN(C2=CC=C(NC(=O)NCCC(=O)[O-])C=C2Cl)CC1	REAL300013444947	0	50	0.0	-78.32	401.68	7.00	-71.32
CCC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C)(O)C(=O)[O-])C=C2Cl)CC1	REAL300013444948	0	54	0.0	-76.45	430.19	5.35	-71.10
CCC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C)(C)C(=O)[O-])C=C2Cl)CC1	REAL300013444949	0	56	0.0	-80.93	437.12	8.46	-72.47
CCC[NH+]1CCN(C2=CC=C(NC(=O)N(C)CC(C)C(=O)[O-])C=C2Cl)CC1	REAL300013444950	0	56	0.0	-78.72	433.33	9.67	-69.05
CCC[NH+]1CCN(C2=CC=C(NC(=O)NCCCC(=O)[O-])C=C2Cl)CC1	REAL300013444951	0	53	0.0	-75.95	423.18	7.80	-68.15
CCC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C)C(=O)[O-])C=C2Cl)CC1	REAL300013444952	0	53	0.0	-79.55	420.23	7.76	-71.79
CCC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CC3)C=C2Cl)CC1	REAL300013444953	0	54	0.0	-66.47	428.83	8.75	-57.72
CCC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2Cl)CC1	REAL300013444954	0	54	0.0	-76.79	428.35	8.40	-68.39
CCC[NH+]1CCN(C2=CC=C(NC(=O)NC3CC(C(=O)[O-])C3)C=C2Cl)CC1	REAL300013444955	0	54	0.0	-71.60	427.98	8.40	-63.20
CCC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2Cl)CC1	REAL300013444956	0	54	0.0	-72.70	427.84	8.45	-64.25
CCC[NH+]1CCN(C2=CC=C(NC(=O)NCC(CC)C(=O)[O-])C=C2Cl)CC1	REAL300013444957	0	56	0.0	-73.14	437.00	8.67	-64.47
CCC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CC3)C=C2Cl)CC1	REAL300013444958	0	54	0.0	-66.47	428.83	8.75	-57.72
CCC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C(=O)[O-])C3)C=C2Cl)CC1	REAL300013444959	0	54	0.0	-72.29	424.03	9.41	-62.88
CCC[NH+]1CCN(C2=CC=C(NC(=O)NC(C)CCC(=O)[O-])C=C2Cl)CC1	REAL300013444960	0	56	0.0	-69.82	442.66	8.83	-60.99
C=CCOC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013445045	1	47	0.0	-39.61	371.12	6.94	-32.67
COCCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013445130	1	50	0.0	-44.17	398.10	5.68	-38.49
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(OCC(=O)N(C)C)=C1	REAL300013445213	1	56	0.0	-43.09	435.28	7.76	-35.33
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013445290	1	55	0.0	-39.65	421.94	8.27	-31.38
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2OCC2CCCCO2)CC1	REAL300013445369	1	57	0.0	-37.27	432.24	7.83	-29.44
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C3=CSN=N3)C=C2)CC1	REAL300013445500	1	44	0.0	-40.99	364.23	6.19	-34.80
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300013445546	1	53	0.0	-78.60	399.86	6.18	-72.42
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300013445546	1	53	0.0	-76.41	396.68	6.07	-70.34
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NC2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300013445547	1	53	0.0	-82.14	423.32	6.83	-75.31
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NC2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300013445547	1	53	0.0	-78.56	418.30	6.47	-72.09
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013445548	1	53	0.0	-81.43	427.20	6.18	-75.25
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013445548	1	53	0.0	-80.55	422.19	5.78	-74.77
CC(C)(CCC(=O)[O-])NC(=O)NC1=CC=CC(C[N@@H+]2CCCC2C(N)=O)=C1	REAL300013445549	1	55	0.0	-73.29	410.96	4.62	-68.67
CC(C)(CCC(=O)[O-])NC(=O)NC1=CC=CC(C[N@H+]2CCCC2C(N)=O)=C1	REAL300013445549	1	55	0.0	-74.06	415.69	5.05	-69.01
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300013445550	1	51	0.0	-84.75	396.20	4.97	-79.78
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300013445550	1	51	0.0	-83.49	391.16	4.58	-78.91
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300013445551	1	56	0.0	-75.68	425.41	6.29	-69.39
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300013445551	1	56	0.0	-80.09	424.70	5.46	-74.63
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCCCCC(=O)[O-])=C1	REAL300013445552	1	52	0.0	-80.31	410.65	4.90	-75.41
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCCCCC(=O)[O-])=C1	REAL300013445552	1	52	0.0	-80.89	405.44	4.43	-76.46
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013445553	1	53	0.0	-82.56	426.89	6.20	-76.36
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013445553	1	53	0.0	-80.47	421.71	5.74	-74.73
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCCC(=O)[O-])=C1	REAL300013445554	1	46	0.0	-78.16	367.66	3.33	-74.83
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCCC(=O)[O-])=C1	REAL300013445554	1	46	0.0	-78.30	362.45	2.85	-75.45
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCCCCCC(=O)[O-])=C1	REAL300013445555	1	55	0.0	-79.11	432.15	5.68	-73.43
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCCCCCC(=O)[O-])=C1	REAL300013445555	1	55	0.0	-79.24	426.94	5.21	-74.03
CC(O)(CNC(=O)NC1=CC=CC(C[N@@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445556	1	50	0.0	-76.35	390.95	1.19	-75.16
CC(O)(CNC(=O)NC1=CC=CC(C[N@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445556	1	50	0.0	-76.53	395.75	1.62	-74.91
CC(C)(CNC(=O)NC1=CC=CC(C[N@@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445557	1	52	0.0	-81.43	397.89	4.31	-77.12
CC(C)(CNC(=O)NC1=CC=CC(C[N@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445557	1	52	0.0	-80.66	402.51	4.79	-75.87
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC(C[N@@H+]3CCCC3C(N)=O)=C2)C1	REAL300013445558	1	53	0.0	-65.58	402.33	5.81	-59.77
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC(C[N@H+]3CCCC3C(N)=O)=C2)C1	REAL300013445558	1	53	0.0	-82.49	412.81	6.25	-76.24
CC(CN(C)C(=O)NC1=CC=CC(C[N@@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445559	1	52	0.0	-79.36	394.09	5.52	-73.84
CC(CN(C)C(=O)NC1=CC=CC(C[N@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445559	1	52	0.0	-83.53	400.79	6.25	-77.28
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=CC(C[N@@H+]3CCCC3C(N)=O)=C2)C1	REAL300013445560	1	56	0.0	-61.32	415.02	6.96	-54.36
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=CC(C[N@H+]3CCCC3C(N)=O)=C2)C1	REAL300013445560	1	56	0.0	-68.62	418.12	7.41	-61.21
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC(C[N@@H+]3CCCC3C(N)=O)=C2)CC1	REAL300013445561	1	56	0.0	-76.41	411.51	6.37	-70.04
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC(C[N@H+]3CCCC3C(N)=O)=C2)CC1	REAL300013445561	1	56	0.0	-81.70	416.83	6.86	-74.84
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCCCC(=O)[O-])=C1	REAL300013445562	1	49	0.0	-75.82	389.15	4.12	-71.70
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCCCC(=O)[O-])=C1	REAL300013445562	1	49	0.0	-75.12	383.95	3.64	-71.48
CC1CCN(C(=O)NC2=CC=CC(C[N@@H+]3CCCC3C(N)=O)=C2)CC1C(=O)[O-]	REAL300013445563	1	56	0.0	-83.67	414.46	6.56	-77.11
CC1CCN(C(=O)NC2=CC=CC(C[N@H+]3CCCC3C(N)=O)=C2)CC1C(=O)[O-]	REAL300013445563	1	56	0.0	-65.51	419.07	7.00	-58.51
CC(C)(CCNC(=O)NC1=CC=CC(C[N@@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445564	1	55	0.0	-76.02	416.65	4.52	-71.50
CC(C)(CCNC(=O)NC1=CC=CC(C[N@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445564	1	55	0.0	-76.67	422.44	5.00	-71.67
CCC(CC)(CNC(=O)NC1=CC=CC(C[N@@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445565	1	58	0.0	-69.83	427.38	5.66	-64.17
CCC(CC)(CNC(=O)NC1=CC=CC(C[N@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445565	1	58	0.0	-72.31	430.04	5.97	-66.34
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300013445566	1	53	0.0	-76.24	409.17	5.29	-70.95
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300013445566	1	53	0.0	-73.39	404.07	5.15	-68.24
CC(CNC(=O)NC1=CC=CC(C[N@@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445567	1	49	0.0	-65.03	380.96	3.63	-61.40
CC(CNC(=O)NC1=CC=CC(C[N@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445567	1	49	0.0	-78.88	385.33	4.07	-74.81
CC(C)C(CNC(=O)NC1=CC=CC(C[N@@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445568	1	55	0.0	-69.73	412.28	4.91	-64.82
CC(C)C(CNC(=O)NC1=CC=CC(C[N@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445568	1	55	0.0	-70.88	417.42	5.35	-65.53
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013445569	1	53	0.0	-73.19	413.14	5.47	-67.72
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013445569	1	53	0.0	-74.04	410.47	5.33	-68.71
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013445570	1	56	0.0	-72.70	427.89	6.12	-66.58
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013445570	1	56	0.0	-70.64	422.40	5.71	-64.93
CC1CN(C(=O)NC2=CC=CC(C[N@@H+]3CCCC3C(N)=O)=C2)CCC1C(=O)[O-]	REAL300013445571	1	56	0.0	-74.87	411.50	6.86	-68.01
CC1CN(C(=O)NC2=CC=CC(C[N@H+]3CCCC3C(N)=O)=C2)CCC1C(=O)[O-]	REAL300013445571	1	56	0.0	-77.65	411.78	6.83	-70.82
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013445572	1	53	0.0	-71.83	408.80	5.36	-66.47
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013445572	1	53	0.0	-68.75	404.42	5.01	-63.74
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013445573	1	56	0.0	-73.46	432.96	6.09	-67.37
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013445573	1	56	0.0	-72.48	428.59	5.68	-66.80
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC(C[N@@H+]3CCCC3C(N)=O)=C2)CC1	REAL300013445574	1	56	0.0	-76.41	411.51	6.37	-70.04
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC(C[N@H+]3CCCC3C(N)=O)=C2)CC1	REAL300013445574	1	56	0.0	-81.70	416.83	6.86	-74.84
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013445575	1	50	0.0	-70.48	395.09	5.01	-65.47
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013445575	1	50	0.0	-67.15	389.59	4.58	-62.57
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013445576	1	53	0.0	-77.73	420.81	6.29	-71.44
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013445576	1	53	0.0	-77.32	415.31	5.87	-71.45
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013445577	1	50	0.0	-76.27	389.34	4.25	-72.02
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013445577	1	50	0.0	-75.98	389.01	4.21	-71.77
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013445578	1	53	0.0	-62.01	403.00	6.61	-55.40
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013445578	1	53	0.0	-86.80	403.39	6.58	-80.22
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013445579	1	53	0.0	-82.62	403.80	6.54	-76.08
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013445579	1	53	0.0	-83.47	404.67	6.59	-76.88
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013445580	1	50	0.0	-77.61	394.22	4.73	-72.88
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013445580	1	50	0.0	-75.84	389.90	4.24	-71.60
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013445581	1	50	0.0	-77.71	389.67	4.29	-73.42
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013445581	1	50	0.0	-79.24	394.42	4.69	-74.55
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013445582	1	53	0.0	-82.56	426.89	6.20	-76.36
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013445582	1	53	0.0	-80.47	421.71	5.74	-74.73
CCC(CNC(=O)NC1=CC=CC(C[N@@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445583	1	52	0.0	-68.19	397.93	4.41	-63.78
CCC(CNC(=O)NC1=CC=CC(C[N@H+]2CCCC2C(N)=O)=C1)C(=O)[O-]	REAL300013445583	1	52	0.0	-72.46	403.14	4.89	-67.57
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCCCCCCC(=O)[O-])=C1	REAL300013445584	1	58	0.0	-81.52	453.65	6.46	-75.06
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCCCCCCC(=O)[O-])=C1	REAL300013445584	1	58	0.0	-82.42	448.44	5.99	-76.43
CC1(C(=O)[O-])CCCN(C(=O)NC2=CC=CC(C[N@@H+]3CCCC3C(N)=O)=C2)C1	REAL300013445585	1	56	0.0	-85.05	414.19	6.84	-78.21
CC1(C(=O)[O-])CCCN(C(=O)NC2=CC=CC(C[N@H+]3CCCC3C(N)=O)=C2)C1	REAL300013445585	1	56	0.0	-86.57	421.39	7.43	-79.14
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=CC(C[N@@H+]2CCCC2C(N)=O)=C1	REAL300013445586	1	56	0.0	-64.34	415.59	6.73	-57.61
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=CC(C[N@H+]2CCCC2C(N)=O)=C1	REAL300013445586	1	56	0.0	-69.05	418.88	7.16	-61.89
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013445587	1	54	0.0	-83.95	416.11	4.23	-79.72
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013445587	1	54	0.0	-81.41	408.47	3.66	-77.75
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NC2=CN(CC(=O)[O-])C=N2)=C1	REAL300013445588	1	50	0.0	-76.73	403.66	6.84	-69.89
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NC2=CN(CC(=O)[O-])C=N2)=C1	REAL300013445588	1	50	0.0	-77.53	398.78	6.40	-71.13
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013445589	1	51	0.0	-81.92	404.36	4.91	-77.01
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013445589	1	51	0.0	-83.24	399.63	4.47	-78.77
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013445590	1	56	0.0	-73.31	419.16	5.82	-67.49
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013445590	1	56	0.0	-71.62	420.23	5.90	-65.72
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300013445591	1	56	0.0	-72.60	421.62	7.18	-65.42
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300013445591	1	56	0.0	-71.65	416.62	6.78	-64.87
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013445592	1	56	0.0	-76.33	424.29	5.41	-70.92
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013445592	1	56	0.0	-79.45	429.18	5.90	-73.55
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300013445593	1	56	0.0	-77.26	429.31	5.85	-71.41
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300013445593	1	56	0.0	-75.12	423.39	5.42	-69.70
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300013445594	1	54	0.0	-69.44	414.05	3.18	-66.26
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300013445594	1	54	0.0	-70.88	413.61	3.13	-67.75
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N2C3CCC2C(C(=O)[O-])C3)=C1	REAL300013445595	1	54	0.0	-90.13	412.10	7.06	-83.07
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N2C3CCC2C(C(=O)[O-])C3)=C1	REAL300013445595	1	54	0.0	-79.69	404.68	6.64	-73.05
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013445596	1	51	0.0	-77.21	407.33	5.44	-71.77
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013445596	1	51	0.0	-77.22	400.59	4.93	-72.29
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013445597	1	50	0.0	-70.48	395.09	5.01	-65.47
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013445597	1	50	0.0	-67.15	389.59	4.58	-62.57
CC1(C(=O)[O-])CN(C(=O)NC2=CC=CC(C[N@@H+]3CCCC3C(N)=O)=C2)CCO1	REAL300013445598	1	54	0.0	-71.37	406.53	5.37	-66.00
CC1(C(=O)[O-])CN(C(=O)NC2=CC=CC(C[N@H+]3CCCC3C(N)=O)=C2)CCO1	REAL300013445598	1	54	0.0	-86.18	414.43	5.92	-80.26
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013445599	1	50	0.0	-81.04	392.73	5.75	-75.29
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013445599	1	50	0.0	-79.16	385.34	5.23	-73.93
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013445600	1	51	0.0	-82.47	405.59	5.37	-77.10
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013445600	1	51	0.0	-82.99	401.10	4.93	-78.06
CC(CCC(=O)[O-])NC(=O)NC1=CC=CC(C[N@@H+]2CCCC2C(N)=O)=C1	REAL300013445601	1	52	0.0	-73.43	404.61	4.64	-68.79
CC(CCC(=O)[O-])NC(=O)NC1=CC=CC(C[N@H+]2CCCC2C(N)=O)=C1	REAL300013445601	1	52	0.0	-74.10	409.19	5.08	-69.02
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CC1=CC(SC2=CC=CC=C2)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013445885	1	53	0.0	-38.64	426.60	11.09	-27.55
CC1=CC=C(C2=CC=C(C#N)S2)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013445956	1	50	0.0	-40.55	413.04	10.16	-30.39
CCOC1=CC=C(C#N)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013446031	1	47	0.0	-39.37	377.30	6.87	-32.50
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CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1OC1=CC=CN=C1	REAL300013446298	1	52	0.0	-40.55	412.59	7.98	-32.57
CCOC1=CC=C(C(F)(F)F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013446394	1	49	0.0	-37.58	395.75	7.50	-30.08
CCCC(=O)NC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C	REAL300013446531	1	55	0.0	-48.11	418.83	7.69	-40.42
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CCOC(=O)C1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)SC(C)=C1CC	REAL300013448482	1	54	0.0	-39.07	436.63	9.03	-30.04
CCOC(=O)C1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)SC2=C1CCC2	REAL300013448557	1	52	0.0	-39.47	420.52	8.91	-30.56
COC(=O)C1=CC(OC)=C(OC)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013448690	1	53	0.0	-38.43	415.44	6.40	-32.03
CCOC(=O)C1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)SC(CC)=C1	REAL300013448784	1	51	0.0	-36.46	413.83	8.56	-27.90
COC(=O)C1=CC=C(Cl)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013448870	1	45	0.0	-36.27	373.55	7.67	-28.60
COC(=O)C1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)SC2=C1CCCC2	REAL300013449054	1	52	0.0	-39.35	415.88	8.59	-30.76
COC(=O)C1=CC(Cl)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013449515	1	45	0.0	-36.17	373.51	7.64	-28.53
COC(=O)C1=CC(F)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013449596	1	45	0.0	-36.43	363.20	7.20	-29.23
CCOC(=O)C1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)SC(C)=C1	REAL300013449683	1	48	0.0	-39.74	392.34	7.78	-31.96
COC(=O)C1=CC=C(F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013449764	1	45	0.0	-36.75	363.24	7.22	-29.53
COC(=O)C1=CC(OC)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013449854	1	49	0.0	-37.61	386.25	6.43	-31.18
CCC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C(=O)OC)=C1	REAL300013449940	1	51	0.0	-36.68	399.66	8.57	-28.11
COC(=O)C1=CC(C(C)C)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013450027	1	54	0.0	-36.39	416.90	9.04	-27.35
COC(=O)C1=C(F)C=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013450165	1	45	0.0	-40.62	367.05	7.00	-33.62
COC(=O)C1=CC=C(OC)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013450251	1	49	0.0	-38.59	387.07	6.43	-32.16
COC(=O)C1=CC(C)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013450335	1	48	0.0	-36.26	378.21	7.82	-28.44
CCOC(=O)C1=CC(F)=C(F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013450474	1	48	0.0	-36.35	392.21	8.17	-28.18
COC(=O)C1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)SC=C1C1CC1	REAL300013450550	1	49	0.0	-39.44	402.31	8.06	-31.38
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013450678	0	45	0.0	-78.76	347.07	7.72	-71.04
C[NH+](C)CCN1N=CC=C1NC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300013450679	0	45	0.0	-76.44	365.94	7.91	-68.53
C[NH+](C)CCN1N=CC=C1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013450680	0	45	0.0	-80.31	369.59	7.30	-73.01
C[NH+](C)CCN1N=CC=C1NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013450681	0	47	0.0	-72.27	358.37	6.12	-66.15
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013450682	0	43	0.0	-59.42	338.67	6.11	-53.31
C[NH+](C)CCN1N=CC=C1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013450683	0	48	0.0	-85.22	372.22	6.98	-78.24
C[NH+](C)CCN1N=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013450684	0	45	0.0	-80.63	369.60	7.29	-73.34
C[NH+](C)CCN1N=CC=C1NC(=O)NCCCCCC(=O)[O-]	REAL300013450685	0	47	0.0	-79.78	374.83	6.75	-73.03
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013450686	0	55	0.0	-80.10	418.10	10.74	-69.36
C[NH+](C)CCN1N=CC=C1NC(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300013450687	0	48	0.0	-79.06	387.34	8.72	-70.34
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013450688	0	45	0.0	-82.01	349.86	7.30	-74.71
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=NN2CC[NH+](C)C)C1	REAL300013450689	0	48	0.0	-84.91	366.68	8.20	-76.71
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013450690	0	48	0.0	-79.20	358.99	7.89	-71.31
CC1CCN(C(=O)NC2=CC=NN2CC[NH+](C)C)CC1C(=O)[O-]	REAL300013450691	0	48	0.0	-56.67	365.39	8.17	-48.50
C[NH+](C)CCN1N=CC=C1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013450692	0	49	0.0	-62.43	370.29	5.39	-57.04
C[NH+](C)CCN1N=CC=C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013450693	0	47	0.0	-74.58	365.11	6.07	-68.51
CCC(CC)(CNC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013450694	0	50	0.0	-64.41	374.77	7.21	-57.20
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013450695	0	45	0.0	-68.64	351.79	6.63	-62.01
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300013450696	0	56	0.0	-78.99	425.91	8.46	-70.53
CC(C)C(CNC(=O)NC1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300013450697	0	47	0.0	-62.74	362.37	6.44	-56.30
CC(NC(=O)NC1=CC=NN1CC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013450698	0	54	0.0	-85.82	408.68	8.27	-77.55
C[NH+](C)CCN1N=CC=C1NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013450699	0	51	0.0	-63.97	395.32	8.76	-55.21
C[NH+](C)CCN1N=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013450700	0	45	0.0	-73.58	353.24	6.46	-67.12
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013450701	0	51	0.0	-80.26	386.38	9.10	-71.16
C[NH+](C)CCN1N=CC=C1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013450702	0	47	0.0	-81.54	363.72	5.83	-75.71
C[NH+](C)CCN1N=CC=C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013450703	0	48	0.0	-66.03	370.29	7.25	-58.78
CC1CN(C(=O)NC2=CC=NN2CC[NH+](C)C)CCC1C(=O)[O-]	REAL300013450704	0	48	0.0	-79.22	365.39	8.20	-71.02
C[NH+](C)CCN1N=CC=C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013450705	0	45	0.0	-61.09	352.33	6.54	-54.55
C[NH+](C)CCN1N=CC=C1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013450706	0	48	0.0	-78.72	377.33	7.19	-71.53
C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013450707	0	48	0.0	-79.20	358.99	7.89	-71.31
CC(C)C[C@H](CNC(=O)NC1=CC=NN1CC[NH+](C)C)CC(=O)[O-]	REAL300013450708	0	53	0.0	-68.96	403.75	7.82	-61.14
C[NH+](C)CCN1N=CC=C1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013450709	0	45	0.0	-73.76	363.23	7.37	-66.39
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=NN2CC[NH+](C)C)C1	REAL300013450710	0	49	0.0	-77.77	383.56	6.34	-71.43
C[NH+](C)CCN1N=CC=C1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013450711	0	50	0.0	-78.26	385.33	4.82	-73.44
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C[NH+](C)CCN1N=CC=C1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013450713	0	45	0.0	-84.58	346.46	7.66	-76.92
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COC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1NC(=O)NCCC(=O)[O-]	REAL300013456121	1	50	0.0	-90.41	392.81	4.73	-85.68
COC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1NC(=O)NCC(C)(O)C(=O)[O-]	REAL300013456122	1	54	0.0	-88.55	420.91	3.01	-85.54
COC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013456123	1	56	0.0	-92.60	428.25	6.18	-86.42
COC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1NC(=O)N(C)CC(C)C(=O)[O-]	REAL300013456124	1	56	0.0	-90.79	423.71	7.37	-83.42
COC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1NC(=O)NCCCC(=O)[O-]	REAL300013456125	1	53	0.0	-87.50	414.31	5.52	-81.98
COC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1NC(=O)NCC(C)C(=O)[O-]	REAL300013456126	1	53	0.0	-91.19	411.36	5.48	-85.71
COC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013456127	1	54	0.0	-90.80	421.51	6.07	-84.73
COC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013456128	1	54	0.0	-89.28	416.71	6.05	-83.23
COC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013456129	1	54	0.0	-90.81	417.80	6.11	-84.70
COC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013456130	1	54	0.0	-87.87	417.06	6.10	-81.77
CCC(CNC(=O)NC1=CC(C(=O)N2CC[NH+](C)CC2)=CC=C1OC)C(=O)[O-]	REAL300013456131	1	56	0.0	-87.97	433.32	6.19	-81.78
COC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013456132	1	54	0.0	-90.80	421.51	6.07	-84.73
COC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1NC(=O)N1CCC(C(=O)[O-])C1	REAL300013456133	1	54	0.0	-64.96	412.77	7.09	-57.87
COC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1NC(=O)NC(C)CCC(=O)[O-]	REAL300013456134	1	56	0.0	-85.82	434.07	6.52	-79.30
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(F)=C2F)CC1	REAL300013456150	1	39	0.0	-36.64	318.03	6.30	-30.34
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(F)C(C(F)(F)F)=C2)CC1	REAL300013456220	1	42	0.0	-40.92	351.18	7.18	-33.74
CC(=O)N(C)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013456337	1	49	0.0	-45.49	374.34	6.36	-39.13
CCOCCOC1=C(Cl)C=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013456511	1	53	0.0	-36.00	431.90	7.38	-28.62
CN(CC1=CC=CC=C1)C1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013456582	1	57	0.0	-35.47	437.30	9.65	-25.82
COC(=O)C1=CC=C(OC(C)C)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013456657	1	55	0.0	-41.17	430.01	7.84	-33.33
CC1=CC=C(C(N)=O)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013456727	1	46	0.0	-46.02	359.69	3.80	-42.22
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C(=O)NC3=CC=CC=C3)C=C2)CC1	REAL300013456809	1	53	0.0	-45.24	418.43	8.16	-37.08
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3N=C(C4CC4)SC3=C2)CC1	REAL300013456887	1	48	0.0	-45.10	391.92	7.93	-37.17
CS(=O)(=O)CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013456971	1	48	0.0	-47.77	391.91	4.34	-43.43
CS(=O)(=O)CC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013457056	1	48	0.0	-47.45	391.91	4.32	-43.13
CCN1N=CC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C21	REAL300013457139	1	48	0.0	-44.22	378.09	6.98	-37.24
CC(C)N1N=CC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C21	REAL300013457227	1	51	0.0	-43.99	397.76	7.66	-36.33
CC1=CC=NN1C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013457313	1	49	0.0	-49.94	384.05	7.74	-42.20
O=C([O-])C1CCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CC1	REAL300013457415	1	50	0.0	-80.20	381.95	10.76	-69.44
O=C([O-])CC1=CC=CC(NC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)=C1	REAL300013457416	1	50	0.0	-75.75	401.12	11.10	-64.65
O=C([O-])C1=CC=C(CNC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C=C1	REAL300013457417	1	50	0.0	-80.23	404.08	10.39	-69.84
CC(C)(CCC(=O)[O-])NC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457418	1	52	0.0	-71.73	392.87	9.21	-62.52
O=C([O-])C1CN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CCO1	REAL300013457419	1	48	0.0	-60.15	372.59	9.24	-50.91
CN(CCC(=O)[O-])C(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457420	1	46	0.0	-80.65	362.51	9.85	-70.80
O=C([O-])C1CCC(NC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CC1	REAL300013457421	1	53	0.0	-85.43	407.09	9.98	-75.45
O=C([O-])CCCCNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457422	1	49	0.0	-81.73	387.83	9.06	-72.67
O=C([O-])C1=CC(CNC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)=CC=C1	REAL300013457423	1	50	0.0	-81.03	404.08	10.38	-70.65
O=C([O-])CCNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457424	1	43	0.0	-77.28	344.83	7.49	-69.79
O=C([O-])CCCCCNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457425	1	52	0.0	-79.46	409.33	9.84	-69.62
CC(O)(CNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1)C(=O)[O-]	REAL300013457426	1	47	0.0	-75.67	372.93	5.77	-69.90
CC(C)(CNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1)C(=O)[O-]	REAL300013457427	1	49	0.0	-81.58	379.69	8.95	-72.63
O=C([O-])CCC1=CC=CC(NC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)=C1	REAL300013457428	1	53	0.0	-78.09	422.52	11.91	-66.18
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457429	1	50	0.0	-82.20	383.26	10.33	-71.87
CC(CN(C)C(=O)NC1=CC=CC=C1C[NH+]1CCSCC1)C(=O)[O-]	REAL300013457430	1	49	0.0	-84.09	376.84	10.39	-73.70
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457431	1	53	0.0	-57.09	396.51	11.54	-45.55
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CC1	REAL300013457432	1	53	0.0	-79.45	394.46	11.02	-68.43
O=C([O-])CCCNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457433	1	46	0.0	-73.40	366.33	8.28	-65.12
CC1CCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CC1C(=O)[O-]	REAL300013457434	1	53	0.0	-87.71	400.40	11.19	-76.52
O=C([O-])C1(CNC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CCOCC1	REAL300013457435	1	54	0.0	-65.75	404.90	8.56	-57.19
CC(C)(CCNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1)C(=O)[O-]	REAL300013457436	1	52	0.0	-74.09	399.62	9.17	-64.92
CCC(CC)(CNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1)C(=O)[O-]	REAL300013457437	1	55	0.0	-61.47	411.93	9.96	-51.51
O=C([O-])CC1(NC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CCC1	REAL300013457438	1	50	0.0	-71.26	386.53	9.79	-61.47
CC(CNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1)C(=O)[O-]	REAL300013457439	1	46	0.0	-79.05	364.19	8.27	-70.78
CC(C)C(CNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1)C(=O)[O-]	REAL300013457440	1	52	0.0	-60.19	396.87	9.54	-50.65
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457441	1	50	0.0	-73.18	388.13	9.60	-63.58
O=C([O-])CCC1CCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CC1	REAL300013457442	1	56	0.0	-81.03	421.26	12.14	-68.89
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1=CC=CC=C1C[NH+]1CCSCC1)C2	REAL300013457443	1	52	0.0	-75.25	398.68	8.89	-66.36
O=C([O-])C1(CNC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CCCC1	REAL300013457444	1	53	0.0	-66.07	405.26	10.30	-55.77
CC1CN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CCC1C(=O)[O-]	REAL300013457445	1	53	0.0	-71.93	393.09	11.51	-60.42
O=C([O-])C1(CNC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CCC1	REAL300013457446	1	50	0.0	-57.13	387.08	9.53	-47.60
O=C([O-])CC(CNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1)C1CC1	REAL300013457447	1	53	0.0	-77.48	412.02	10.32	-67.16
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CC1	REAL300013457448	1	53	0.0	-79.45	394.46	11.02	-68.43
CC(C)C[C@H](CNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1)CC(=O)[O-]	REAL300013457449	1	58	0.0	-71.23	432.35	10.65	-60.58
O=C([O-])C1(CNC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CC1	REAL300013457450	1	47	0.0	-61.28	372.33	9.13	-52.15
O=C([O-])C1=CC=CC=C1CNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457451	1	50	0.0	-73.85	397.71	10.47	-63.38
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457452	1	54	0.0	-73.20	419.30	9.35	-63.85
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457453	1	47	0.0	-72.01	372.80	8.88	-63.13
O=C([O-])[C@@H]1CCCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457455	1	50	0.0	-84.37	380.63	10.65	-73.72
O=C([O-])[C@H]1CCCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457456	1	50	0.0	-86.04	382.02	10.69	-75.35
O=C([O-])C1CC(NC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457457	1	47	0.0	-75.06	372.15	8.76	-66.30
O=C([O-])[C@H]1C[C@H](NC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457458	1	47	0.0	-75.92	372.16	8.85	-67.07
O=C([O-])C1=CC(CNC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)=CC=C1	REAL300013457459	1	50	0.0	-81.03	404.08	10.38	-70.65
CCC(CNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1)C(=O)[O-]	REAL300013457460	1	49	0.0	-60.04	380.32	9.05	-50.99
O=C([O-])CCC1CCCCN1C(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457461	1	56	0.0	-91.03	414.40	12.14	-78.89
O=C([O-])CCCCCCCNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457462	1	58	0.0	-82.31	452.33	11.41	-70.90
O=C([O-])CCCCCCNC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457463	1	55	0.0	-83.83	430.83	10.62	-73.21
CN(CCCC(=O)[O-])C(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457464	1	49	0.0	-79.65	384.01	10.65	-69.00
CC1(C(=O)[O-])CCCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457465	1	53	0.0	-86.62	395.63	11.40	-75.22
COCCN(CCC(=O)[O-])C(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457466	1	53	0.0	-53.01	416.21	9.98	-43.03
O=C([O-])CCC1CCCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457467	1	56	0.0	-86.11	420.62	12.22	-73.89
O=C([O-])C(=O)N1CCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CC1	REAL300013457468	1	51	0.0	-69.97	392.22	9.39	-60.58
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457469	1	53	0.0	-58.39	397.77	11.28	-47.11
O=C([O-])C1(O)CCCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457470	1	51	0.0	-81.58	389.77	8.19	-73.39
O=C([O-])CN1C=NC(NC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)=C1	REAL300013457471	1	47	0.0	-76.13	381.16	10.92	-65.21
O=C([O-])C12CC(NC(=O)NC3=CC=CC=C3C[NH+]3CCSCC3)(C1)C2	REAL300013457472	1	48	0.0	-84.14	382.75	9.01	-75.13
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CC1	REAL300013457473	1	53	0.0	-65.66	402.33	10.57	-55.09
O=C([O-])[C@H]1CC[C@H](CNC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CC1	REAL300013457474	1	56	0.0	-81.20	426.58	10.87	-70.33
O=C([O-])CC1CCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CC1	REAL300013457475	1	53	0.0	-69.81	398.94	11.36	-58.45
O=C([O-])COC1CCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CC1	REAL300013457476	1	54	0.0	-83.39	415.54	10.79	-72.60
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457477	1	53	0.0	-76.32	406.72	10.06	-66.26
O=C([O-])C1CCCC(NC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457478	1	53	0.0	-72.14	402.84	10.50	-61.64
O=C([O-])C1(CNC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CCCOC1	REAL300013457479	1	54	0.0	-64.73	409.03	8.56	-56.17
O=C([O-])C1(CNC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CCOC1	REAL300013457480	1	51	0.0	-60.64	393.83	7.52	-53.12
O=C([O-])C1CC2CCC1N2C(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457481	1	51	0.0	-90.10	389.52	11.25	-78.85
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1)C2	REAL300013457482	1	48	0.0	-70.94	383.42	9.54	-61.40
O=C([O-])C1(CNC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CC1	REAL300013457483	1	47	0.0	-61.28	372.33	9.13	-52.15
O=C([O-])C1CN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CC12CCC2	REAL300013457484	1	54	0.0	-63.40	408.78	11.61	-51.79
CC1(C(=O)[O-])CN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CCO1	REAL300013457485	1	51	0.0	-84.27	389.09	9.94	-74.33
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457486	1	54	0.0	-84.95	410.02	9.51	-75.44
O=C([O-])C1CCN(C(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)C1	REAL300013457487	1	47	0.0	-79.43	367.11	9.82	-69.61
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1)C2	REAL300013457488	1	48	0.0	-82.09	382.82	9.33	-72.76
O=C([O-])CC1(NC(=O)NC2=CC=CC=C2C[NH+]2CCSCC2)CCCCC1	REAL300013457489	1	56	0.0	-71.30	411.03	11.49	-59.81
CC(CCC(=O)[O-])NC(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300013457490	1	49	0.0	-68.87	386.09	9.28	-59.59
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C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013462755	0	53	0.0	-85.64	414.96	9.68	-75.96
CC(CN(C)C(=O)NC1=CC(Cl)=CC=C1OC1CC[NH+](C)CC1)C(=O)[O-]	REAL300013462756	0	52	0.0	-82.42	408.77	9.54	-72.88
C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)NCCCC(=O)[O-])CC1	REAL300013462757	0	49	0.0	-78.20	396.90	7.57	-70.63
C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013462758	0	55	0.0	-78.76	430.18	8.46	-70.30
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CC(CNC(=O)NC1=CC(Cl)=CC=C1OC1CC[NH+](C)CC1)C(=O)[O-]	REAL300013462760	0	49	0.0	-82.93	393.07	7.52	-75.41
CC(C)C(CNC(=O)NC1=CC(Cl)=CC=C1OC1CC[NH+](C)CC1)C(=O)[O-]	REAL300013462761	0	55	0.0	-73.95	432.68	8.73	-65.22
C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013462762	0	53	0.0	-75.39	419.82	8.89	-66.50
C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013462763	0	53	0.0	-74.47	417.37	8.93	-65.54
C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013462764	0	50	0.0	-72.58	402.54	8.51	-64.07
C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013462765	0	50	0.0	-78.11	401.08	8.12	-69.99
C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013462766	0	53	0.0	-86.77	410.58	10.06	-76.71
C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013462767	0	53	0.0	-87.92	411.76	10.08	-77.84
C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013462768	0	50	0.0	-77.63	404.39	8.24	-69.39
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CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC(C)(C(=O)[O-])CC3)=C2)CC1	REAL300013466959	0	61	0.0	-78.55	440.59	12.28	-66.27
CC1CC[NH+](CCC2=CC=CC(NC(=O)NCCCC(=O)[O-])=C2)CC1	REAL300013466960	0	54	0.0	-76.40	414.60	9.56	-66.84
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC(C)C(C(=O)[O-])C3)=C2)CC1	REAL300013466961	0	61	0.0	-84.36	443.54	12.49	-71.87
CC1CC[NH+](CCC2=CC=CC(NC(=O)NCCC(C)(C)C(=O)[O-])=C2)CC1	REAL300013466962	0	60	0.0	-77.09	447.30	10.43	-66.66
CCC(CC)(CNC(=O)NC1=CC=CC(CC[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300013466963	0	63	0.0	-74.28	460.19	11.25	-63.03
CC1CC[NH+](CCC2=CC=CC(NC(=O)NC3(CC(=O)[O-])CCC3)=C2)CC1	REAL300013466964	0	58	0.0	-72.49	433.21	10.76	-61.73
CC(CNC(=O)NC1=CC(CC[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300013466965	0	54	0.0	-80.77	411.65	9.53	-71.24
CC(C)C(CNC(=O)NC1=CC(CC[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300013466966	0	60	0.0	-74.96	450.39	10.71	-64.25
CC1CC[NH+](CCC2=CC=CC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013466967	0	58	0.0	-76.32	436.76	10.84	-65.48
CC1CC[NH+](CCC2=CC=CC(NC(=O)NCC3(C(=O)[O-])CCCC3)=C2)CC1	REAL300013466968	0	61	0.0	-71.41	453.05	11.62	-59.79
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC(C(=O)[O-])C(C)C3)=C2)CC1	REAL300013466969	0	61	0.0	-76.71	440.58	12.77	-63.94
CC1CC[NH+](CCC2=CC=CC(NC(=O)NCC3(C(=O)[O-])CCC3)=C2)CC1	REAL300013466970	0	58	0.0	-69.87	435.07	10.93	-58.94
CC1CC[NH+](CCC2=CC=CC(NC(=O)NCC(CC(=O)[O-])C3CC3)=C2)CC1	REAL300013466971	0	61	0.0	-83.22	460.62	11.62	-71.60
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC(C)(C(=O)[O-])CC3)=C2)CC1	REAL300013466972	0	61	0.0	-78.55	440.59	12.28	-66.27
CC1CC[NH+](CCC2=CC=CC(NC(=O)NCC3(C(=O)[O-])CC3)=C2)CC1	REAL300013466973	0	55	0.0	-68.75	420.24	10.51	-58.24
CC1CC[NH+](CCC2=CC=CC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])=C2)CC1	REAL300013466974	0	58	0.0	-77.08	445.96	11.78	-65.30
CC1CC[NH+](CCC2=CC=CC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013466975	0	55	0.0	-77.55	420.03	10.09	-67.46
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013466976	0	58	0.0	-65.83	428.11	12.08	-53.75
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC[C@H](C(=O)[O-])C3)=C2)CC1	REAL300013466977	0	58	0.0	-67.63	430.66	12.07	-55.56
CC1CC[NH+](CCC2=CC=CC(NC(=O)NC3CC(C(=O)[O-])C3)=C2)CC1	REAL300013466978	0	55	0.0	-76.32	420.06	10.13	-66.19
CC1CC[NH+](CCC2=CC=CC(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2)CC1	REAL300013466979	0	55	0.0	-78.19	420.36	10.21	-67.98
CC1CC[NH+](CCC2=CC=CC(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300013466980	0	58	0.0	-80.82	452.36	11.66	-69.16
CCC(CNC(=O)NC1=CC=CC(CC[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300013466981	0	57	0.0	-72.20	433.60	10.23	-61.97
CC1CC[NH+](CCC2=CC=CC(NC(=O)NCCCCCCC(=O)[O-])=C2)CC1	REAL300013466982	0	63	0.0	-83.25	479.09	11.91	-71.34
CC1CC[NH+](CCC2=CC=CC(NC(=O)N(C)CCCC(=O)[O-])=C2)CC1	REAL300013466983	0	57	0.0	-84.55	432.17	11.94	-72.61
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCCC(C)(C(=O)[O-])C3)=C2)CC1	REAL300013466984	0	61	0.0	-85.92	444.29	12.73	-73.19
COCCN(CCC(=O)[O-])C(=O)NC1=CC=CC(CC[NH+]2CCC(C)CC2)=C1	REAL300013466985	0	61	0.0	-65.04	463.86	11.30	-53.74
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CC(C(=O)[O-])CCC3C)=C2)CC1	REAL300013466986	0	61	0.0	-65.74	443.53	12.62	-53.12
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCCC(O)(C(=O)[O-])C3)=C2)CC1	REAL300013466987	0	59	0.0	-83.05	438.72	9.60	-73.45
CC1CC[NH+](CCC2=CC=CC(NC(=O)NC3=CN(CC(=O)[O-])C=N3)=C2)CC1	REAL300013466988	0	55	0.0	-80.00	429.06	12.30	-67.70
CC1CC[NH+](CCC2=CC=CC(NC(=O)NC34CC(C(=O)[O-])(C3)C4)=C2)CC1	REAL300013466989	0	56	0.0	-84.07	429.80	10.36	-73.71
CC1CC[NH+](CCC2=CC=CC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=C2)CC1	REAL300013466990	0	61	0.0	-73.05	449.24	11.74	-61.31
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3CCC(CC(=O)[O-])CC3)=C2)CC1	REAL300013466991	0	61	0.0	-72.87	446.87	12.71	-60.16
CC1CC[NH+](CCC2=CC=CC(NC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013466992	0	61	0.0	-78.16	454.45	11.34	-66.82
CC1CC[NH+](CCC2=CC=CC(NC(=O)NC3CCCC(C(=O)[O-])C3)=C2)CC1	REAL300013466993	0	61	0.0	-75.22	450.56	11.77	-63.45
CC1CC[NH+](CCC2=CC=CC(NC(=O)NCC3(C(=O)[O-])CCOC3)=C2)CC1	REAL300013466994	0	59	0.0	-72.58	441.74	8.91	-63.67
CC1CC[NH+](CCC2=CC=CC(NC(=O)N3C4CCC3C(C(=O)[O-])C4)=C2)CC1	REAL300013466995	0	59	0.0	-86.53	437.80	12.52	-74.01
CC1CC[NH+](CCC2=CC=CC(NC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2)CC1	REAL300013466996	0	56	0.0	-78.09	431.22	10.85	-67.24
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CC1=NC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1Br	REAL300013494175	1	41	0.0	-39.95	343.02	6.95	-33.00
CC1=CC(C)=NC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013494229	1	44	0.0	-40.15	346.41	7.11	-33.04
COC1=CC=C(C)N=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013494363	1	45	0.0	-39.89	353.45	5.85	-34.04
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CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=CC=C2C(Cl)=C1	REAL300013494596	1	48	0.0	-38.03	385.94	9.72	-28.31
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013494676	1	47	0.0	-44.14	368.72	8.14	-36.00
COC1=CC(C#N)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013494815	1	44	0.0	-38.56	356.06	5.97	-32.59
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CCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=NC=CC=C12	REAL300013495068	1	51	0.0	-38.21	397.28	6.99	-31.22
COC1=CC2=C(C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)NC(=O)CC2	REAL300013495154	1	51	0.0	-41.62	395.03	4.74	-36.88
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1OC(C)C	REAL300013495236	1	53	0.0	-40.07	406.47	6.93	-33.14
CC1=CC=CC(Cl)=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013495305	1	42	0.0	-36.82	337.88	7.29	-29.53
CCOC1=C(Cl)C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1Cl	REAL300013495409	1	46	0.0	-38.29	394.55	7.61	-30.68
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300013495488	1	41	0.0	-41.94	335.08	6.79	-35.15
CC1=CC([N+](=O)[O-])=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013495561	1	44	0.0	-41.62	353.34	7.69	-33.93
COC1=CC([N+](=O)[O-])=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013495641	1	45	0.0	-39.44	363.38	6.25	-33.19
CC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1Br	REAL300013495726	1	42	0.0	-35.43	343.70	7.48	-27.95
CC(=O)N1CCC2=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=CC=C21	REAL300013495810	1	50	0.0	-50.72	384.68	7.21	-43.51
CC1=CC(Br)=C(F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013495895	1	42	0.0	-38.91	351.39	7.62	-31.29
COC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1F	REAL300013495955	1	43	0.0	-38.30	340.95	5.55	-32.75
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C(OC)C=C1Cl	REAL300013496036	1	47	0.0	-37.84	380.68	5.42	-32.42
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(Cl)=C2F)CC1	REAL300013496114	1	39	0.0	-35.89	327.91	6.74	-29.15
CCCOC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013496189	1	49	0.0	-35.97	378.53	7.31	-28.66
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(S(=O)(=O)C(F)F)C=C2)CC1	REAL300013496273	1	45	0.0	-43.07	380.74	4.05	-39.02
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=CC=C1N1C=NN=N1	REAL300013496350	1	47	0.0	-43.23	368.31	7.25	-35.98
CCN(CC)C(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013496438	1	55	0.0	-44.55	418.51	7.81	-36.74
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2N2CCCC2)CC1	REAL300013496585	1	51	0.0	-36.23	378.88	7.16	-29.07
CN(C)C(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013496671	1	49	0.0	-42.72	377.59	6.00	-36.72
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2C(=O)N2CCCCC2)CC1	REAL300013496788	1	56	0.0	-38.59	421.52	8.31	-30.28
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013496845	0	54	0.0	-76.54	397.95	8.86	-67.68
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300013496846	0	54	0.0	-76.13	415.51	9.02	-67.11
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013496847	0	54	0.0	-79.67	420.43	8.42	-71.25
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013496848	0	56	0.0	-72.47	408.21	7.18	-65.29
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013496849	0	52	0.0	-71.57	388.06	7.16	-64.41
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013496850	0	57	0.0	-79.86	422.07	8.03	-71.83
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCCCCC(=O)[O-]	REAL300013496851	0	53	0.0	-77.37	403.17	7.03	-70.34
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013496852	0	54	0.0	-79.91	419.44	8.35	-71.56
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCCC(=O)[O-]	REAL300013496853	0	47	0.0	-75.32	360.18	5.46	-69.86
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCCCCCC(=O)[O-]	REAL300013496854	0	56	0.0	-77.04	424.67	7.82	-69.22
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC(C)(O)C(=O)[O-]	REAL300013496855	0	51	0.0	-73.76	388.27	3.75	-70.01
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013496856	0	53	0.0	-77.46	395.03	6.92	-70.54
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300013496857	0	57	0.0	-76.97	436.91	9.82	-67.15
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013496858	0	54	0.0	-75.69	401.35	8.40	-67.29
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N(C)CC(C)C(=O)[O-]	REAL300013496859	0	53	0.0	-79.53	393.02	8.42	-71.11
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013496860	0	57	0.0	-70.13	411.95	9.54	-60.59
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013496861	0	57	0.0	-77.20	408.09	8.95	-68.25
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCCCC(=O)[O-]	REAL300013496862	0	50	0.0	-73.91	381.67	6.25	-67.66
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013496863	0	57	0.0	-71.58	414.86	9.29	-62.29
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013496864	0	58	0.0	-71.92	420.11	6.45	-65.47
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013496865	0	56	0.0	-74.81	414.96	7.14	-67.67
CCC(CC)(CNC(=O)NC1=CC=C(N2CC[NH+](C)CC2)C=C1C)C(=O)[O-]	REAL300013496866	0	59	0.0	-72.73	427.27	7.95	-64.78
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013496867	0	54	0.0	-71.89	400.79	7.77	-64.12
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC(C)C(=O)[O-]	REAL300013496868	0	50	0.0	-76.53	379.53	6.24	-70.29
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013496869	0	56	0.0	-71.72	412.21	7.51	-64.21
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013496870	0	54	0.0	-74.69	403.08	7.52	-67.17
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013496871	0	60	0.0	-76.68	437.26	10.25	-66.43
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013496872	0	56	0.0	-74.30	412.91	7.02	-67.28
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013496873	0	57	0.0	-72.70	417.10	8.52	-64.18
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013496874	0	57	0.0	-75.48	408.06	9.42	-66.06
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013496875	0	54	0.0	-71.22	403.04	7.46	-63.76
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013496876	0	57	0.0	-77.75	427.16	8.32	-69.43
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013496877	0	57	0.0	-77.20	408.09	8.95	-68.25
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013496878	0	62	0.0	-76.18	447.87	8.65	-67.53
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013496879	0	51	0.0	-75.81	389.61	6.80	-69.01
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013496880	0	54	0.0	-77.28	413.08	8.44	-68.84
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(N3CC[NH+](C)CC3)C=C2C)C1	REAL300013496881	0	58	0.0	-82.21	433.47	7.40	-74.81
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013496882	0	51	0.0	-74.44	388.11	6.88	-67.56
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013496883	0	59	0.0	-75.27	435.20	5.94	-69.33
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013496884	0	54	0.0	-69.77	395.88	8.71	-61.06
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013496885	0	54	0.0	-78.92	396.50	8.79	-70.13
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013496886	0	51	0.0	-75.50	386.62	6.86	-68.64
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013496887	0	51	0.0	-75.63	386.97	6.85	-68.78
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013496888	0	54	0.0	-79.91	419.44	8.35	-71.56
CCC(CNC(=O)NC1=CC=C(N2CC[NH+](C)CC2)C=C1C)C(=O)[O-]	REAL300013496889	0	53	0.0	-70.78	395.58	7.12	-63.66
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013496890	0	60	0.0	-81.39	429.52	10.11	-71.28
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013496891	0	62	0.0	-78.52	467.67	9.38	-69.14
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCCCCCCC(=O)[O-]	REAL300013496892	0	59	0.0	-78.77	446.17	8.60	-70.17
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013496893	0	57	0.0	-79.68	412.49	9.52	-70.16
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013496894	0	60	0.0	-80.08	436.62	10.15	-69.93
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013496895	0	55	0.0	-70.47	407.72	7.38	-63.09
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013496896	0	57	0.0	-70.91	412.45	9.37	-61.54
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013496897	0	55	0.0	-78.33	405.74	6.26	-72.07
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC1=CN(CC(=O)[O-])C=N1	REAL300013496898	0	51	0.0	-75.62	396.14	8.98	-66.64
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013496899	0	52	0.0	-78.16	396.88	7.04	-71.12
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013496900	0	57	0.0	-74.04	416.32	8.42	-65.62
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013496901	0	60	0.0	-78.43	440.51	8.74	-69.69
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013496902	0	57	0.0	-72.65	414.94	9.47	-63.18
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013496903	0	58	0.0	-78.19	431.54	8.89	-69.30
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013496904	0	57	0.0	-75.81	422.06	8.03	-67.78
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013496905	0	57	0.0	-73.91	417.10	8.44	-65.47
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013496906	0	58	0.0	-76.00	426.58	6.93	-69.07
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013496907	0	55	0.0	-72.54	408.81	5.59	-66.95
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1C2CCC1C(C(=O)[O-])C2	REAL300013496908	0	55	0.0	-87.27	405.79	9.29	-77.98
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013496909	0	52	0.0	-76.05	398.60	7.53	-68.52
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013496910	0	51	0.0	-75.81	389.61	6.80	-69.01
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013496911	0	58	0.0	-72.05	423.82	9.50	-62.55
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013496912	0	55	0.0	-79.90	405.09	8.03	-71.87
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(N3CC[NH+](C)CC3)C=C2C)C1	REAL300013496913	0	58	0.0	-78.06	430.06	7.79	-70.27
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N1CCC(C(=O)[O-])C1	REAL300013496914	0	51	0.0	-76.28	382.46	7.82	-68.46
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013496915	0	52	0.0	-78.99	397.55	7.55	-71.44
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC1(CC(=O)[O-])CCCCC1	REAL300013496916	0	60	0.0	-71.39	425.53	9.44	-61.95
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC(C)CCC(=O)[O-]	REAL300013496917	0	53	0.0	-72.77	401.43	7.25	-65.52
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3OCCCOC3=C2)CC1	REAL300013496988	1	48	0.0	-41.57	369.75	6.05	-35.52
CC1=CC(N2CCCC2)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013497075	1	54	0.0	-37.37	398.90	7.38	-29.99
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC(CN3CCOCC3)=CS2)CC1	REAL300013497165	1	51	0.0	-41.98	401.54	3.33	-38.65
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C(=O)[O-])CC3)C(C)=C2)CC1	REAL300013497205	0	57	0.0	-75.16	415.18	9.50	-65.66
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3=CC=CC(CC(=O)[O-])=C3)C(C)=C2)CC1	REAL300013497206	0	57	0.0	-74.83	433.25	9.70	-65.13
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3=CC=C(C(=O)[O-])C=C3)C(C)=C2)CC1	REAL300013497207	0	57	0.0	-78.75	437.16	9.04	-69.71
CC[NH+]1CCN(C2=CC=C(NC(=O)NC(C)(C)CCC(=O)[O-])C(C)=C2)CC1	REAL300013497208	0	59	0.0	-71.65	425.95	7.86	-63.79
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCOC(C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497209	0	55	0.0	-70.01	405.37	7.83	-62.18
CC[NH+]1CCN(C2=CC=C(NC(=O)N(C)CCC(=O)[O-])C(C)=C2)CC1	REAL300013497210	0	53	0.0	-77.10	395.47	8.50	-68.60
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3CCC(C(=O)[O-])CC3)C(C)=C2)CC1	REAL300013497211	0	60	0.0	-78.63	439.80	8.71	-69.92
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCCCC(=O)[O-])C(C)=C2)CC1	REAL300013497212	0	56	0.0	-77.01	420.90	7.71	-69.30
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C(C)=C2)CC1	REAL300013497213	0	57	0.0	-78.85	437.17	9.03	-69.82
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCC(=O)[O-])C(C)=C2)CC1	REAL300013497214	0	50	0.0	-75.04	377.91	6.14	-68.90
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCCCCC(=O)[O-])C(C)=C2)CC1	REAL300013497215	0	59	0.0	-76.46	442.40	8.49	-67.97
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C)(O)C(=O)[O-])C(C)=C2)CC1	REAL300013497216	0	54	0.0	-73.48	406.00	4.43	-69.05
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C)(C)C(=O)[O-])C(C)=C2)CC1	REAL300013497217	0	56	0.0	-77.34	413.35	7.59	-69.75
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C)(C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497218	0	57	0.0	-80.90	417.35	9.03	-71.87
CC[NH+]1CCN(C2=CC=C(NC(=O)N(C)CC(C)C(=O)[O-])C(C)=C2)CC1	REAL300013497219	0	56	0.0	-79.08	409.80	9.05	-70.03
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CC(C)CC(C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497220	0	60	0.0	-68.02	429.83	10.28	-57.74
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C)(C(=O)[O-])CC3)C(C)=C2)CC1	REAL300013497221	0	60	0.0	-75.63	425.85	9.68	-65.95
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCCC(=O)[O-])C(C)=C2)CC1	REAL300013497222	0	53	0.0	-73.20	399.41	6.93	-66.27
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C)C(C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497223	0	60	0.0	-70.12	432.10	9.93	-60.19
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCC(C)(C)C(=O)[O-])C(C)=C2)CC1	REAL300013497224	0	59	0.0	-74.05	432.69	7.82	-66.23
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(CC)(CC)C(=O)[O-])C(C)=C2)CC1	REAL300013497225	0	62	0.0	-70.34	440.29	8.78	-61.56
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3(CC(=O)[O-])CCC3)C(C)=C2)CC1	REAL300013497226	0	57	0.0	-71.05	418.53	8.35	-62.70
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C)C(=O)[O-])C(C)=C2)CC1	REAL300013497227	0	53	0.0	-76.16	397.27	6.92	-69.24
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C(=O)[O-])C(C)C)C(C)=C2)CC1	REAL300013497228	0	59	0.0	-73.01	435.19	8.08	-64.93
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497229	0	57	0.0	-73.37	420.80	8.20	-65.17
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CCCC3)C(C)=C2)CC1	REAL300013497230	0	60	0.0	-71.13	434.34	9.16	-61.97
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C(=O)[O-])C(C)C3)C(C)=C2)CC1	REAL300013497231	0	60	0.0	-74.15	425.58	10.12	-64.03
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CCC3)C(C)=C2)CC1	REAL300013497232	0	57	0.0	-70.32	419.88	8.28	-62.04
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(CC(=O)[O-])C3CC3)C(C)=C2)CC1	REAL300013497233	0	60	0.0	-77.08	444.88	9.00	-68.08
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C)(C(=O)[O-])CC3)C(C)=C2)CC1	REAL300013497234	0	60	0.0	-75.63	425.85	9.68	-65.95
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CC3)C(C)=C2)CC1	REAL300013497235	0	54	0.0	-69.55	405.05	7.87	-61.68
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C(C)=C2)CC1	REAL300013497236	0	57	0.0	-77.03	430.77	9.15	-67.88
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497237	0	54	0.0	-73.76	404.84	7.49	-66.27
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497238	0	57	0.0	-77.82	413.40	9.42	-68.40
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC[C@H](C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497239	0	57	0.0	-77.97	414.20	9.46	-68.51
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3CC(C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497240	0	54	0.0	-73.77	404.87	7.49	-66.28
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497241	0	54	0.0	-74.93	404.43	7.54	-67.39
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C(C)=C2)CC1	REAL300013497242	0	57	0.0	-78.85	437.17	9.03	-69.82
CCC(CNC(=O)NC1=CC=C(N2CC[NH+](CC)CC2)C=C1C)C(=O)[O-]	REAL300013497243	0	56	0.0	-71.90	418.41	7.60	-64.30
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCCCCCC(=O)[O-])C(C)=C2)CC1	REAL300013497244	0	62	0.0	-78.35	463.90	9.28	-69.07
CC[NH+]1CCN(C2=CC=C(NC(=O)N(C)CCCC(=O)[O-])C(C)=C2)CC1	REAL300013497245	0	56	0.0	-78.73	416.97	9.31	-69.42
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC(C)(C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497246	0	60	0.0	-79.42	429.29	10.13	-69.29
CC[NH+]1CCN(C2=CC=C(NC(=O)N(CCOC)CCC(=O)[O-])C(C)=C2)CC1	REAL300013497247	0	60	0.0	-68.84	448.65	8.67	-60.17
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CC(C(=O)[O-])CCC3C)C(C)=C2)CC1	REAL300013497248	0	60	0.0	-68.09	428.50	9.96	-58.13
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC(O)(C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497249	0	58	0.0	-76.82	422.98	6.90	-69.92
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3=CN(CC(=O)[O-])C=N3)C(C)=C2)CC1	REAL300013497250	0	54	0.0	-74.35	413.87	9.66	-64.69
CC[NH+]1CCN(C2=CC=C(NC(=O)NC34CC(C(=O)[O-])(C3)C4)C(C)=C2)CC1	REAL300013497251	0	55	0.0	-77.00	415.62	7.78	-69.22
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C(C)=C2)CC1	REAL300013497252	0	60	0.0	-72.90	434.05	9.09	-63.81
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(CC(=O)[O-])CC3)C(C)=C2)CC1	REAL300013497253	0	60	0.0	-71.21	432.18	10.11	-61.10
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497254	0	60	0.0	-74.45	439.80	8.71	-65.74
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3CCCC(C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497255	0	60	0.0	-72.50	434.84	9.12	-63.38
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CCOC3)C(C)=C2)CC1	REAL300013497256	0	58	0.0	-71.17	426.55	6.27	-64.90
CC[NH+]1CCN(C2=CC=C(NC(=O)N3C4CCC3C(C(=O)[O-])C4)C(C)=C2)CC1	REAL300013497257	0	58	0.0	-85.51	422.55	9.90	-75.61
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C(C)=C2)CC1	REAL300013497258	0	55	0.0	-75.14	416.33	8.21	-66.93
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CC3)C(C)=C2)CC1	REAL300013497259	0	54	0.0	-69.55	405.05	7.87	-61.68
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCOC(C)(C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497260	0	58	0.0	-79.58	421.89	8.65	-70.93
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C(=O)[O-])C3)C(C)=C2)CC1	REAL300013497261	0	54	0.0	-74.77	399.69	8.45	-66.32
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C(C)=C2)CC1	REAL300013497262	0	55	0.0	-78.58	415.30	8.23	-70.35
CC[NH+]1CCN(C2=CC=C(NC(=O)NC(C)CCC(=O)[O-])C(C)=C2)CC1	REAL300013497263	0	56	0.0	-72.07	419.16	7.93	-64.14
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(Cl)=CC=C2F)CC1	REAL300013497297	1	39	0.0	-35.77	328.46	6.75	-29.02
CN(C1CC[NH+](C)CC1)S(=O)(=O)C1=CC=C(NC(=O)NCCC(=O)[O-])C=C1	REAL300013497392	0	53	0.0	-81.06	424.67	4.60	-76.46
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC3=CC=CN=C32)CC1	REAL300013497421	1	44	0.0	-38.21	347.03	6.70	-31.51
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C3=NC=CS3)C=C2)CC1	REAL300013497499	1	45	0.0	-38.97	371.72	7.02	-31.95
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3OC4(CCCC4)OC3=C2)CC1	REAL300013497710	1	52	0.0	-45.23	398.83	7.50	-37.73
CC(C)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013497775	1	48	0.0	-36.33	367.09	8.03	-28.30
CCCCCC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013497853	1	54	0.0	-36.42	414.27	9.91	-26.51
CCCC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013497924	1	48	0.0	-36.51	371.27	8.34	-28.17
CCOC1=CC=C(OCC)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013498004	1	53	0.0	-37.98	407.78	6.67	-31.31
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2SC(F)F)CC1	REAL300013498090	1	43	0.0	-37.48	354.24	7.55	-29.93
CN(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013498226	1	50	0.0	-36.77	398.99	6.97	-29.80
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC=C(CC3=CC=CC=C3)S2)CC1	REAL300013498304	1	48	0.0	-41.01	396.88	9.34	-31.67
N#CCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013498452	1	44	0.0	-41.97	357.61	6.11	-35.86
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(N3CCCC3=O)C=C2)CC1	REAL300013498536	1	50	0.0	-46.19	384.50	7.24	-38.95
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300013498582	0	54	0.0	-74.51	395.02	8.48	-66.03
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3=CC=CC(CC(=O)[O-])=C3)C=C2)CC1	REAL300013498583	0	54	0.0	-75.45	414.96	8.82	-66.63
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3=CC=C(C(=O)[O-])C=C3)C=C2)CC1	REAL300013498584	0	54	0.0	-79.41	418.88	8.16	-71.25
CC[NH+]1CCN(C2=CC=C(NC(=O)NC(C)(C)CCC(=O)[O-])C=C2)CC1	REAL300013498585	0	56	0.0	-72.40	407.93	6.97	-65.43
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCOC(C(=O)[O-])C3)C=C2)CC1	REAL300013498586	0	52	0.0	-78.44	386.60	6.99	-71.45
CC[NH+]1CCN(C2=CC=C(NC(=O)N(C)CCC(=O)[O-])C=C2)CC1	REAL300013498587	0	50	0.0	-75.96	377.62	7.61	-68.35
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300013498588	0	57	0.0	-73.22	417.09	8.28	-64.94
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCCCC(=O)[O-])C=C2)CC1	REAL300013498589	0	53	0.0	-77.39	402.89	6.81	-70.58
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300013498590	0	54	0.0	-80.91	418.89	8.15	-72.76
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCC(=O)[O-])C=C2)CC1	REAL300013498591	0	47	0.0	-75.20	359.89	5.23	-69.97
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300013498592	0	56	0.0	-76.76	424.39	7.59	-69.17
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C)(O)C(=O)[O-])C=C2)CC1	REAL300013498593	0	51	0.0	-73.68	387.99	3.53	-70.15
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013498594	0	53	0.0	-77.56	395.33	6.69	-70.87
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3=CC=CC(CCC(=O)[O-])=C3)C=C2)CC1	REAL300013498595	0	57	0.0	-75.89	436.36	9.62	-66.27
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300013498596	0	54	0.0	-80.17	399.20	8.17	-72.00
CC[NH+]1CCN(C2=CC=C(NC(=O)N(C)CC(C)C(=O)[O-])C=C2)CC1	REAL300013498597	0	53	0.0	-77.77	391.94	8.16	-69.61
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CC(C)CC(C(=O)[O-])C3)C=C2)CC1	REAL300013498598	0	57	0.0	-69.45	412.30	9.35	-60.10
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)CC1	REAL300013498599	0	57	0.0	-78.54	409.29	8.85	-69.69
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013498600	0	50	0.0	-73.50	381.39	6.03	-67.47
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C)C(C(=O)[O-])C3)C=C2)CC1	REAL300013498601	0	57	0.0	-78.08	404.77	8.83	-69.25
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CCOCC3)C=C2)CC1	REAL300013498602	0	58	0.0	-70.88	422.20	6.04	-64.84
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013498603	0	56	0.0	-74.34	414.68	6.91	-67.43
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(CC)(CC)C(=O)[O-])C=C2)CC1	REAL300013498604	0	59	0.0	-73.90	426.99	7.71	-66.19
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3(CC(=O)[O-])CCC3)C=C2)CC1	REAL300013498605	0	54	0.0	-71.57	400.23	7.30	-64.27
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C)C(=O)[O-])C=C2)CC1	REAL300013498606	0	50	0.0	-75.97	377.57	5.98	-69.99
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C(=O)[O-])C(C)C)C=C2)CC1	REAL300013498607	0	56	0.0	-72.73	417.18	7.18	-65.55
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013498608	0	54	0.0	-72.90	403.08	7.37	-65.53
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(CCC(=O)[O-])CC3)C=C2)CC1	REAL300013498609	0	60	0.0	-77.47	435.99	9.96	-67.51
CC[NH+]1CCN(C2=CC=C(NC(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)C=C2)CC1	REAL300013498610	0	56	0.0	-76.17	412.89	6.85	-69.32
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300013498611	0	57	0.0	-73.48	420.36	8.12	-65.36
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C(=O)[O-])C(C)C3)C=C2)CC1	REAL300013498612	0	57	0.0	-74.41	408.45	9.23	-65.18
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300013498613	0	54	0.0	-71.51	402.49	7.26	-64.25
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300013498614	0	57	0.0	-79.00	427.90	8.13	-70.87
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)CC1	REAL300013498615	0	57	0.0	-78.54	409.29	8.85	-69.69
CC[NH+]1CCN(C2=CC=C(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=C2)CC1	REAL300013498616	0	62	0.0	-72.95	453.19	8.59	-64.36
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CC3)C=C2)CC1	REAL300013498617	0	51	0.0	-70.71	386.76	7.00	-63.71
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300013498618	0	54	0.0	-79.72	412.50	8.26	-71.46
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(COC)(C(=O)[O-])C3)C=C2)CC1	REAL300013498619	0	58	0.0	-80.60	433.07	7.38	-73.22
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013498620	0	51	0.0	-74.15	386.20	6.62	-67.53
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3CCN(CC(=O)[O-])CC3)C=C2)CC1	REAL300013498621	0	59	0.0	-76.38	434.69	5.69	-70.69
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013498622	0	54	0.0	-79.74	396.02	8.51	-71.23
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013498623	0	54	0.0	-80.55	397.20	8.57	-71.98
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3CC(C(=O)[O-])C3)C=C2)CC1	REAL300013498624	0	51	0.0	-75.03	386.58	6.62	-68.41
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013498625	0	51	0.0	-76.81	386.34	6.65	-70.16
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300013498626	0	54	0.0	-80.91	418.89	8.15	-72.76
CCC(CNC(=O)NC1=CC=C(N2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300013498627	0	53	0.0	-72.12	400.40	6.69	-65.43
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCCC3CCC(=O)[O-])C=C2)CC1	REAL300013498628	0	60	0.0	-82.21	429.30	9.90	-72.31
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCCCCCCC(=O)[O-])C=C2)CC1	REAL300013498629	0	62	0.0	-78.27	467.39	9.15	-69.12
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCCCCCC(=O)[O-])C=C2)CC1	REAL300013498630	0	59	0.0	-78.68	445.89	8.37	-70.31
CC[NH+]1CCN(C2=CC=C(NC(=O)N(C)CCCC(=O)[O-])C=C2)CC1	REAL300013498631	0	53	0.0	-77.64	399.12	8.42	-69.22
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300013498632	0	57	0.0	-79.64	410.75	9.24	-70.40
CC[NH+]1CCN(C2=CC=C(NC(=O)N(CCOC)CCC(=O)[O-])C=C2)CC1	REAL300013498633	0	57	0.0	-69.85	430.64	7.77	-62.08
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC(CCC(=O)[O-])C3)C=C2)CC1	REAL300013498634	0	60	0.0	-78.90	436.17	9.93	-68.97
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCN(C(=O)C(=O)[O-])CC3)C=C2)CC1	REAL300013498635	0	55	0.0	-70.55	407.97	7.22	-63.33
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CC(C(=O)[O-])CCC3C)C=C2)CC1	REAL300013498636	0	57	0.0	-69.64	412.66	9.11	-60.53
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC(O)(C(=O)[O-])C3)C=C2)CC1	REAL300013498637	0	55	0.0	-77.54	405.53	6.03	-71.51
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3=CN(CC(=O)[O-])C=N3)C=C2)CC1	REAL300013498638	0	51	0.0	-72.64	396.37	8.79	-63.85
CC[NH+]1CCN(C2=CC=C(NC(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)CC1	REAL300013498639	0	52	0.0	-80.43	396.60	6.82	-73.61
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=C2)CC1	REAL300013498640	0	57	0.0	-72.61	416.30	8.26	-64.35
CC[NH+]1CCN(C2=CC=C(NC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)C=C2)CC1	REAL300013498641	0	60	0.0	-78.41	440.46	8.58	-69.83
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(CC(=O)[O-])CC3)C=C2)CC1	REAL300013498642	0	57	0.0	-76.91	414.28	9.19	-67.72
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CCCCN(C)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013502209	1	56	0.0	-37.07	423.24	9.01	-28.06
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300013502255	0	52	0.0	-79.58	396.57	9.10	-70.48
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300013502256	0	52	0.0	-75.22	416.71	9.40	-65.82
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C[NH+](C)CCCOC1=CC=C(NC(=O)NCCC(=O)[O-])C=C1	REAL300013502263	0	45	0.0	-79.03	361.32	5.85	-73.18
C[NH+](C)CCCOC1=CC=C(NC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013502264	0	54	0.0	-79.99	425.82	8.21	-71.78
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CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(OCCC[NH+](C)C)C=C2)C1	REAL300013502270	0	55	0.0	-70.60	413.81	9.94	-60.66
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013502271	0	55	0.0	-77.17	410.21	9.42	-67.75
C[NH+](C)CCCOC1=CC=C(NC(=O)NCCCC(=O)[O-])C=C1	REAL300013502272	0	48	0.0	-76.66	382.82	6.63	-70.03
CC1CCN(C(=O)NC2=CC=C(OCCC[NH+](C)C)C=C2)CC1C(=O)[O-]	REAL300013502273	0	55	0.0	-77.83	412.62	9.53	-68.30
C[NH+](C)CCCOC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013502274	0	56	0.0	-72.83	423.63	6.65	-66.18
C[NH+](C)CCCOC1=CC=C(NC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013502275	0	54	0.0	-77.46	415.52	7.51	-69.95
CCC(CC)(CNC(=O)NC1=CC=C(OCCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013502276	0	57	0.0	-75.46	427.29	8.56	-66.90
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300013502277	0	52	0.0	-73.01	402.44	8.24	-64.77
CC(CNC(=O)NC1=CC=C(OCCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013502278	0	48	0.0	-80.06	380.67	6.63	-73.43
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CC(NC(=O)NC1=CC=C(OCCC[NH+](C)C)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013502280	0	61	0.0	-79.55	455.53	9.22	-70.33
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C[NH+](C)CCCOC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013502285	0	55	0.0	-75.65	421.27	8.71	-66.94
CC1CN(C(=O)NC2=CC=C(OCCC[NH+](C)C)C=C2)CCC1C(=O)[O-]	REAL300013502286	0	55	0.0	-74.86	409.88	9.84	-65.02
C[NH+](C)CCCOC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCC2)C=C1	REAL300013502287	0	52	0.0	-73.26	403.92	7.88	-65.38
C[NH+](C)CCCOC1=CC=C(NC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300013502288	0	55	0.0	-76.72	428.59	8.73	-67.99
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013502289	0	55	0.0	-77.17	410.21	9.42	-67.75
CC(C)C[C@H](CNC(=O)NC1=CC=C(OCCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013502290	0	60	0.0	-75.06	454.61	9.20	-65.86
C[NH+](C)CCCOC1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013502291	0	49	0.0	-72.76	388.47	7.58	-65.18
C[NH+](C)CCCOC1=CC=C(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013502292	0	52	0.0	-82.26	413.93	8.88	-73.38
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(OCCC[NH+](C)C)C=C2)C1	REAL300013502293	0	56	0.0	-81.91	432.00	8.71	-73.20
C[NH+](C)CCCOC1=CC=C(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013502294	0	49	0.0	-74.18	387.71	7.23	-66.95
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2CCN(CC(=O)[O-])CC2)C=C1	REAL300013502295	0	57	0.0	-77.55	435.88	6.23	-71.32
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013502296	0	52	0.0	-83.24	397.68	9.10	-74.14
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300013502297	0	52	0.0	-70.48	398.03	9.13	-61.35
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300013502298	0	49	0.0	-74.27	388.05	7.24	-67.03
C[NH+](C)CCCOC1=CC=C(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300013502299	0	49	0.0	-75.26	388.18	7.26	-68.00
C[NH+](C)CCCOC1=CC=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013502300	0	52	0.0	-83.22	420.31	8.76	-74.46
CCC(CNC(=O)NC1=CC=C(OCCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013502301	0	51	0.0	-74.28	401.82	7.30	-66.98
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCCCC2CCC(=O)[O-])C=C1	REAL300013502302	0	58	0.0	-80.59	430.80	10.52	-70.07
C[NH+](C)CCCOC1=CC=C(NC(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300013502303	0	60	0.0	-81.52	468.81	9.77	-71.75
C[NH+](C)CCCOC1=CC=C(NC(=O)NCCCCCCC(=O)[O-])C=C1	REAL300013502304	0	57	0.0	-82.25	447.32	8.99	-73.26
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300013502305	0	55	0.0	-83.19	410.91	9.92	-73.27
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=C(OCCC[NH+](C)C)C=C2)C1	REAL300013502306	0	59	0.0	-81.51	442.57	9.78	-71.73
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300013502307	0	58	0.0	-78.14	437.59	10.55	-67.59
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C=C1	REAL300013502308	0	56	0.0	-84.96	430.60	11.54	-73.42
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C=C1	REAL300013502309	0	53	0.0	-70.40	408.89	7.80	-62.60
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=C(OCCC[NH+](C)C)C=C1	REAL300013502310	0	55	0.0	-70.50	413.97	9.70	-60.80
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300013502311	0	53	0.0	-80.90	405.48	6.72	-74.18
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300013502312	0	56	0.0	-77.43	438.51	9.77	-67.66
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2=CN(CC(=O)[O-])C=N2)C=C1	REAL300013502313	0	49	0.0	-77.79	397.01	9.39	-68.40
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(OCCC[NH+](C)C)C=C2)CC1	REAL300013502314	0	59	0.0	-79.17	442.10	8.52	-70.65
C[NH+](C)CCCOC1=CC=C(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300013502315	0	50	0.0	-82.57	398.03	7.42	-75.15
C[NH+](C)CCCOC1=CC=C(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C=C1	REAL300013502316	0	61	0.0	-81.01	444.15	9.41	-71.60
C[NH+](C)CCCOC1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300013502317	0	55	0.0	-75.28	418.52	8.89	-66.39
C[NH+](C)CCCOC1=CC=C(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300013502318	0	58	0.0	-81.53	442.96	9.15	-72.38
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300013502319	0	55	0.0	-75.01	415.10	9.79	-65.22
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC(OCC(=O)[O-])CC2)C=C1	REAL300013502320	0	56	0.0	-82.66	431.64	9.19	-73.47
C[NH+](C)CCCOC1=CC=C(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013502321	0	55	0.0	-78.02	422.41	8.45	-69.57
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2CCCC(C(=O)[O-])C2)C=C1	REAL300013502322	0	55	0.0	-78.01	422.42	8.44	-69.57
C[NH+](C)CCCOC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300013502323	0	56	0.0	-76.75	428.22	7.27	-69.48
C[NH+](C)CCCOC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300013502324	0	53	0.0	-71.40	409.97	5.98	-65.42
C[NH+](C)CCCOC1=CC=C(NC(=O)N2C3CCC2C(C(=O)[O-])C3)C=C1	REAL300013502325	0	53	0.0	-79.23	401.86	9.54	-69.69
C[NH+](C)CCCOC1=CC=C(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013502326	0	50	0.0	-78.63	399.48	7.95	-70.68
C[NH+](C)CCCOC1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013502327	0	49	0.0	-72.76	388.47	7.58	-65.18
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1	REAL300013502328	0	56	0.0	-72.87	424.85	9.94	-62.93
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300013502329	0	53	0.0	-83.23	403.87	8.40	-74.83
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(OCCC[NH+](C)C)C=C2)C1	REAL300013502330	0	56	0.0	-86.79	429.23	8.24	-78.55
C[NH+](C)CCCOC1=CC=C(NC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300013502331	0	49	0.0	-79.24	383.67	8.24	-71.00
C[NH+](C)CCCOC1=CC=C(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013502332	0	50	0.0	-81.86	398.43	7.98	-73.88
C[NH+](C)CCCOC1=CC=C(NC(=O)NC2(CC(=O)[O-])CCCCC2)C=C1	REAL300013502333	0	58	0.0	-78.75	427.29	9.97	-68.78
CC(CCC(=O)[O-])NC(=O)NC1=CC=C(OCCC[NH+](C)C)C=C1	REAL300013502334	0	51	0.0	-76.15	402.30	7.67	-68.48
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(F)=CC=C2OCC2CCCO2)CC1	REAL300013502373	1	54	0.0	-38.78	420.52	7.04	-31.74
COC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1Br	REAL300013502450	1	43	0.0	-37.22	353.40	6.23	-30.99
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C(=O)[O-])CC3)=C2)CC1	REAL300013502488	0	54	0.0	-76.17	395.81	8.65	-67.52
CC[NH+]1CCN(C2=CC=CC(NC(=O)NC3=CC=CC(CC(=O)[O-])=C3)=C2)CC1	REAL300013502489	0	54	0.0	-71.61	415.42	8.89	-62.72
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCC3=CC=C(C(=O)[O-])C=C3)=C2)CC1	REAL300013502490	0	54	0.0	-76.78	419.33	8.22	-68.56
CC[NH+]1CCN(C2=CC=CC(NC(=O)NC(C)(C)CCC(=O)[O-])=C2)CC1	REAL300013502491	0	56	0.0	-68.84	408.11	7.06	-61.78
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCOC(C(=O)[O-])C3)=C2)CC1	REAL300013502492	0	52	0.0	-74.06	388.40	7.03	-67.03
CC[NH+]1CCN(C2=CC=CC(NC(=O)N(C)CCC(=O)[O-])=C2)CC1	REAL300013502493	0	50	0.0	-71.03	377.65	7.69	-63.34
CC[NH+]1CCN(C2=CC=CC(NC(=O)NC3CCC(C(=O)[O-])CC3)=C2)CC1	REAL300013502494	0	57	0.0	-72.22	416.21	8.29	-63.93
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCCCCC(=O)[O-])=C2)CC1	REAL300013502495	0	53	0.0	-73.17	403.07	6.90	-66.27
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300013502496	0	54	0.0	-78.36	419.33	8.21	-70.15
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCCC(=O)[O-])=C2)CC1	REAL300013502497	0	47	0.0	-70.41	360.07	5.32	-65.09
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCCCCCC(=O)[O-])=C2)CC1	REAL300013502498	0	56	0.0	-73.53	424.57	7.68	-65.85
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCC(C)(O)C(=O)[O-])=C2)CC1	REAL300013502499	0	51	0.0	-68.94	388.16	3.61	-65.33
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCC(C)(C)C(=O)[O-])=C2)CC1	REAL300013502500	0	53	0.0	-72.50	395.51	6.78	-65.72
CC[NH+]1CCN(C2=CC=CC(NC(=O)NC3=CC=CC(CCC(=O)[O-])=C3)=C2)CC1	REAL300013502501	0	57	0.0	-72.07	436.82	9.70	-62.37
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C)(C(=O)[O-])C3)=C2)CC1	REAL300013502502	0	54	0.0	-72.26	402.42	8.16	-64.10
CC[NH+]1CCN(C2=CC=CC(NC(=O)N(C)CC(C)C(=O)[O-])=C2)CC1	REAL300013502503	0	53	0.0	-72.53	391.98	8.24	-64.29
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CC(C)CC(C(=O)[O-])C3)=C2)CC1	REAL300013502504	0	57	0.0	-65.36	415.41	9.15	-56.21
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C)(C(=O)[O-])CC3)=C2)CC1	REAL300013502505	0	57	0.0	-78.42	408.54	8.73	-69.69
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCCCC(=O)[O-])=C2)CC1	REAL300013502506	0	50	0.0	-70.19	381.57	6.12	-64.07
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C)C(C(=O)[O-])C3)=C2)CC1	REAL300013502507	0	57	0.0	-74.09	411.06	8.98	-65.11
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCC3(C(=O)[O-])CCOCC3)=C2)CC1	REAL300013502508	0	58	0.0	-69.62	421.65	6.28	-63.34
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCCC(C)(C)C(=O)[O-])=C2)CC1	REAL300013502509	0	56	0.0	-71.38	414.27	6.97	-64.41
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCC(CC)(CC)C(=O)[O-])=C2)CC1	REAL300013502510	0	59	0.0	-65.25	422.45	7.96	-57.29
CC[NH+]1CCN(C2=CC=CC(NC(=O)NC3(CC(=O)[O-])CCC3)=C2)CC1	REAL300013502511	0	54	0.0	-76.03	400.93	7.53	-68.50
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCC(C)C(=O)[O-])=C2)CC1	REAL300013502512	0	50	0.0	-71.49	378.61	6.08	-65.41
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCC(C(=O)[O-])C(C)C)=C2)CC1	REAL300013502513	0	56	0.0	-70.64	417.36	7.26	-63.38
CC[NH+]1CCN(C2=CC=CC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013502514	0	54	0.0	-75.38	402.78	7.30	-68.08
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(CCC(=O)[O-])CC3)=C2)CC1	REAL300013502515	0	60	0.0	-76.24	435.12	10.04	-66.20
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=C2)CC1	REAL300013502516	0	56	0.0	-71.62	413.38	6.76	-64.86
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCC3(C(=O)[O-])CCCC3)=C2)CC1	REAL300013502517	0	57	0.0	-70.18	420.03	8.17	-62.01
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C(=O)[O-])C(C)C3)=C2)CC1	REAL300013502518	0	57	0.0	-75.33	406.82	9.26	-66.07
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCC3(C(=O)[O-])CCC3)=C2)CC1	REAL300013502519	0	54	0.0	-68.79	402.05	7.47	-61.32
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCC(CC(=O)[O-])C3CC3)=C2)CC1	REAL300013502520	0	57	0.0	-70.78	427.59	8.17	-62.61
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C)(C(=O)[O-])CC3)=C2)CC1	REAL300013502521	0	57	0.0	-78.42	408.54	8.73	-69.69
CC[NH+]1CCN(C2=CC=CC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C2)CC1	REAL300013502522	0	62	0.0	-69.32	452.98	8.66	-60.66
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCC3(C(=O)[O-])CC3)=C2)CC1	REAL300013502523	0	51	0.0	-68.30	386.98	6.98	-61.32
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])=C2)CC1	REAL300013502524	0	54	0.0	-75.20	412.94	8.33	-66.87
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(COC)(C(=O)[O-])C3)=C2)CC1	REAL300013502525	0	58	0.0	-77.68	430.94	7.80	-69.88
CC[NH+]1CCN(C2=CC=CC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013502526	0	51	0.0	-70.32	386.66	6.68	-63.64
CC[NH+]1CCN(C2=CC=CC(NC(=O)NC3CCN(CC(=O)[O-])CC3)=C2)CC1	REAL300013502527	0	59	0.0	-71.78	435.15	5.75	-66.03
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013502528	0	54	0.0	-74.19	395.62	8.55	-65.64
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC[C@H](C(=O)[O-])C3)=C2)CC1	REAL300013502529	0	54	0.0	-68.58	396.56	8.52	-60.06
CC[NH+]1CCN(C2=CC=CC(NC(=O)NC3CC(C(=O)[O-])C3)=C2)CC1	REAL300013502530	0	51	0.0	-71.47	387.04	6.68	-64.79
CC[NH+]1CCN(C2=CC=CC(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2)CC1	REAL300013502531	0	51	0.0	-71.57	386.86	6.73	-64.84
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300013502532	0	54	0.0	-78.36	419.33	8.21	-70.15
CCC(CNC(=O)NC1=CC=CC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300013502533	0	53	0.0	-72.59	395.67	6.95	-65.64
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCCCC3CCC(=O)[O-])=C2)CC1	REAL300013502534	0	60	0.0	-86.20	429.27	9.96	-76.24
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCCCCCCCC(=O)[O-])=C2)CC1	REAL300013502535	0	62	0.0	-75.19	467.56	9.24	-65.95
CC[NH+]1CCN(C2=CC=CC(NC(=O)NCCCCCCC(=O)[O-])=C2)CC1	REAL300013502536	0	59	0.0	-74.95	446.06	8.46	-66.49
CC[NH+]1CCN(C2=CC=CC(NC(=O)N(C)CCCC(=O)[O-])=C2)CC1	REAL300013502537	0	53	0.0	-71.19	399.14	8.49	-62.70
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCCC(C)(C(=O)[O-])C3)=C2)CC1	REAL300013502538	0	57	0.0	-84.05	410.73	9.24	-74.81
CC[NH+]1CCN(C2=CC=CC(NC(=O)N(CCOC)CCC(=O)[O-])=C2)CC1	REAL300013502539	0	57	0.0	-68.29	430.83	7.85	-60.44
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCCC(CCC(=O)[O-])C3)=C2)CC1	REAL300013502540	0	60	0.0	-73.71	435.93	10.00	-63.71
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CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CC(OC)CC(C(=O)[O-])C3)=C2)CC1	REAL300013502559	0	58	0.0	-87.04	427.53	7.63	-79.41
CC[NH+]1CCN(C2=CC=CC(NC(=O)N3CCC(C(=O)[O-])C3)=C2)CC1	REAL300013502560	0	51	0.0	-71.34	382.70	7.67	-63.67
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CC1=CN=C(Br)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013504736	1	41	0.0	-40.21	341.35	5.73	-34.48
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CC(C1=CC=C(NC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C=C1)[NH+]1CCOCC1	REAL300013509215	1	56	0.0	-73.09	433.48	9.86	-63.23
CC(C1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509216	1	53	0.0	-81.63	395.15	8.43	-73.20
CC(CN(C)C(=O)NC1=CC=C(C(C)[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300013509217	1	52	0.0	-77.67	388.36	8.46	-69.21
CC(C1=CC=C(NC(=O)N2CC(C)CC(C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509218	1	56	0.0	-66.17	413.85	9.35	-56.82
CC(C1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1)[NH+]1CCOCC1	REAL300013509219	1	56	0.0	-76.82	405.55	9.07	-67.75
CC(C1=CC=C(NC(=O)NCCCC(=O)[O-])C=C1)[NH+]1CCOCC1	REAL300013509220	1	49	0.0	-72.59	378.22	6.31	-66.28
CC(C1=CC=C(NC(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509221	1	56	0.0	-73.71	408.00	9.19	-64.52
CC(C1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1)[NH+]1CCOCC1	REAL300013509222	1	57	0.0	-67.84	418.99	6.32	-61.52
CC(C1=CC=C(NC(=O)NCCC(C)(C)C(=O)[O-])C=C1)[NH+]1CCOCC1	REAL300013509223	1	55	0.0	-73.60	410.92	7.19	-66.41
CCC(CC)(CNC(=O)NC1=CC=C(C(C)[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300013509224	1	58	0.0	-70.01	422.71	8.21	-61.80
CC(C1=CC=C(NC(=O)NC2(CC(=O)[O-])CCC2)C=C1)[NH+]1CCOCC1	REAL300013509225	1	53	0.0	-66.53	397.81	7.90	-58.63
CC(CNC(=O)NC1=CC=C(C(C)[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300013509226	1	49	0.0	-75.73	376.09	6.30	-69.43
CC(C)C(CNC(=O)NC1=CC=C(C(C)[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300013509227	1	55	0.0	-67.85	408.76	7.57	-60.28
CC(C1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509228	1	53	0.0	-70.57	399.59	7.56	-63.01
CC(C1=CC=C(NC(=O)N2CCC(CCC(=O)[O-])CC2)C=C1)[NH+]1CCOCC1	REAL300013509229	1	59	0.0	-76.09	432.82	10.24	-65.85
CC(C1=CC=C(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509230	1	55	0.0	-71.18	409.21	7.08	-64.10
CC(C1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCC2)C=C1)[NH+]1CCOCC1	REAL300013509231	1	56	0.0	-70.30	416.63	8.34	-61.96
CC(C1=CC=C(NC(=O)N2CCC(C(=O)[O-])C(C)C2)C=C1)[NH+]1CCOCC1	REAL300013509232	1	56	0.0	-73.29	405.21	9.48	-63.81
CC(C1=CC=C(NC(=O)NCC2(C(=O)[O-])CCC2)C=C1)[NH+]1CCOCC1	REAL300013509233	1	53	0.0	-68.47	399.29	7.54	-60.93
CC(C1=CC=C(NC(=O)NCC(CC(=O)[O-])C2CC2)C=C1)[NH+]1CCOCC1	REAL300013509234	1	56	0.0	-75.66	423.92	8.39	-67.27
CC(C1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1)[NH+]1CCOCC1	REAL300013509235	1	56	0.0	-76.82	405.55	9.07	-67.75
CC(C)C[C@H](CNC(=O)NC1=CC=C(C(C)[NH+]2CCOCC2)C=C1)CC(=O)[O-]	REAL300013509236	1	61	0.0	-71.31	444.19	8.76	-62.55
CC(C1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C=C1)[NH+]1CCOCC1	REAL300013509237	1	50	0.0	-66.71	383.19	7.17	-59.54
CC(C1=CC=C(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1)[NH+]1CCOCC1	REAL300013509238	1	53	0.0	-75.87	409.28	8.54	-67.33
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(C(C)[NH+]3CCOCC3)C=C2)C1	REAL300013509239	1	57	0.0	-78.17	427.37	8.37	-69.80
CC(C1=CC=C(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509240	1	50	0.0	-70.99	383.38	6.91	-64.08
CC(C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1)N1CCOCC1	REAL300013509241	1	58	0.0	-37.66	432.22	6.10	-31.56
CC(C1=CC=C(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509242	1	53	0.0	-79.08	393.04	8.78	-70.30
CC(C1=CC=C(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509243	1	53	0.0	-75.84	393.37	8.79	-67.05
CC(C1=CC=C(NC(=O)NC2CC(C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509244	1	50	0.0	-71.03	383.42	6.91	-64.12
CC(C1=CC=C(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509245	1	50	0.0	-74.11	383.21	6.95	-67.16
CC(C1=CC=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1)[NH+]1CCOCC1	REAL300013509246	1	53	0.0	-78.95	415.68	8.42	-70.53
CCC(CNC(=O)NC1=CC=C(C(C)[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300013509247	1	52	0.0	-69.88	397.23	6.98	-62.90
CC(C1=CC=C(NC(=O)N2CCCCC2CCC(=O)[O-])C=C1)[NH+]1CCOCC1	REAL300013509248	1	59	0.0	-80.64	425.69	10.12	-70.52
CC(C1=CC=C(NC(=O)NCCCCCCCC(=O)[O-])C=C1)[NH+]1CCOCC1	REAL300013509249	1	61	0.0	-77.61	464.21	9.44	-68.17
CC(C1=CC=C(NC(=O)NCCCCCCC(=O)[O-])C=C1)[NH+]1CCOCC1	REAL300013509250	1	58	0.0	-78.17	442.71	8.66	-69.51
CC(C1=CC=C(NC(=O)N(C)CCCC(=O)[O-])C=C1)[NH+]1CCOCC1	REAL300013509251	1	52	0.0	-77.59	395.53	8.71	-68.88
CC(C1=CC=C(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509252	1	56	0.0	-79.39	407.33	9.56	-69.83
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(C(C)[NH+]2CCOCC2)C=C1	REAL300013509253	1	56	0.0	-65.88	427.47	8.06	-57.82
CC(C1=CC=C(NC(=O)N2CCCC(CCC(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509254	1	59	0.0	-74.04	432.96	10.20	-63.84
CC(C1=CC=C(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C=C1)[NH+]1CCOCC1	REAL300013509255	1	54	0.0	-68.90	404.22	7.44	-61.46
CC(C1=CC=C(NC(=O)N2CC(C(=O)[O-])CCC2C)C=C1)[NH+]1CCOCC1	REAL300013509256	1	56	0.0	-65.82	409.32	9.36	-56.46
CC(C1=CC=C(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509257	1	54	0.0	-76.14	400.88	6.37	-69.77
CC(C1=CC=C(NC(=O)NC2=CN(CC(=O)[O-])C=N2)C=C1)[NH+]1CCOCC1	REAL300013509258	1	50	0.0	-72.89	392.39	9.06	-63.83
CC(C1=CC=C(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1)[NH+]1CCOCC1	REAL300013509259	1	51	0.0	-77.22	393.39	7.08	-70.14
CC(C1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1)[NH+]1CCOCC1	REAL300013509260	1	56	0.0	-71.27	413.87	8.56	-62.71
CC(C1=CC=C(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1)[NH+]1CCOCC1	REAL300013509261	1	59	0.0	-77.35	437.05	8.79	-68.56
CC(C1=CC=C(NC(=O)N2CCC(CC(=O)[O-])CC2)C=C1)[NH+]1CCOCC1	REAL300013509262	1	56	0.0	-70.96	410.50	9.46	-61.50
CC(C1=CC=C(NC(=O)N2CCC(OCC(=O)[O-])CC2)C=C1)[NH+]1CCOCC1	REAL300013509263	1	57	0.0	-78.23	427.05	8.85	-69.38
CC(C1=CC=C(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509264	1	56	0.0	-73.86	417.78	8.10	-65.76
CC(C1=CC=C(NC(=O)NC2CCCC(C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509265	1	56	0.0	-73.84	417.78	8.09	-65.75
CC(C1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCOC2)C=C1)[NH+]1CCOCC1	REAL300013509266	1	57	0.0	-72.49	423.59	6.92	-65.57
CC(C1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOC2)C=C1)[NH+]1CCOCC1	REAL300013509267	1	54	0.0	-65.65	404.33	5.83	-59.82
CC(C1=CC=C(NC(=O)N2C3CCC2C(C(=O)[O-])C3)C=C1)[NH+]1CCOCC1	REAL300013509268	1	54	0.0	-75.52	397.20	9.19	-66.33
CC(C1=CC=C(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1)[NH+]1CCOCC1	REAL300013509269	1	51	0.0	-74.56	394.85	7.61	-66.95
CC(C1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C=C1)[NH+]1CCOCC1	REAL300013509270	1	50	0.0	-66.71	383.19	7.17	-59.54
CC(C1=CC=C(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1)[NH+]1CCOCC1	REAL300013509271	1	57	0.0	-69.21	420.21	9.61	-59.60
CC(C1=CC=C(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509272	1	54	0.0	-74.61	399.27	8.06	-66.55
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(C(C)[NH+]3CCOCC3)C=C2)C1	REAL300013509273	1	57	0.0	-78.19	424.25	7.92	-70.27
CC(C1=CC=C(NC(=O)N2CCC(C(=O)[O-])C2)C=C1)[NH+]1CCOCC1	REAL300013509274	1	50	0.0	-74.51	379.04	7.89	-66.62
CC(C1=CC=C(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1)[NH+]1CCOCC1	REAL300013509275	1	51	0.0	-78.06	393.80	7.64	-70.42
CC(C1=CC=C(NC(=O)NC2(CC(=O)[O-])CCCCC2)C=C1)[NH+]1CCOCC1	REAL300013509276	1	59	0.0	-67.31	422.67	9.62	-57.69
CC(CCC(=O)[O-])NC(=O)NC1=CC=C(C(C)[NH+]2CCOCC2)C=C1	REAL300013509277	1	52	0.0	-71.13	397.70	7.35	-63.78
NS(=O)(=O)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013509318	1	44	0.0	-43.45	361.11	1.08	-42.37
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C(F)(F)F)C=C2Cl)CC1	REAL300013509404	1	42	0.0	-35.66	360.07	7.77	-27.89
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300013509478	0	55	0.0	-74.05	405.23	9.53	-64.52
CC[NH+](CC)CCOC1=CC=C(NC(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300013509479	0	55	0.0	-71.61	425.11	9.82	-61.79
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300013509480	0	55	0.0	-77.58	432.88	9.47	-68.11
CC[NH+](CC)CCOC1=CC=C(NC(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300013509481	0	57	0.0	-69.99	421.66	8.30	-61.69
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300013509482	0	53	0.0	-75.25	402.10	8.25	-67.00
CC[NH+](CC)CCOC1=CC=C(NC(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300013509483	0	58	0.0	-71.27	431.09	9.59	-61.68
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCCCCC(=O)[O-])C=C1	REAL300013509484	0	54	0.0	-75.13	412.82	7.86	-67.27
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013509485	0	55	0.0	-78.51	432.89	9.46	-69.05
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCCC(=O)[O-])C=C1	REAL300013509486	0	48	0.0	-72.81	369.82	6.29	-66.52
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013509487	0	57	0.0	-74.50	434.32	8.65	-65.85
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300013509488	0	52	0.0	-71.18	398.32	4.62	-66.56
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013509489	0	54	0.0	-75.80	408.48	8.04	-67.76
CC[NH+](CC)CCOC1=CC=C(NC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300013509490	0	58	0.0	-72.37	446.51	10.62	-61.75
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300013509491	0	55	0.0	-81.31	408.56	9.16	-72.15
CC[NH+](CC)CCOC1=CC=C(NC(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300013509492	0	54	0.0	-73.88	401.07	8.96	-64.92
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CC(C)CC(C(=O)[O-])C2)C=C1	REAL300013509493	0	58	0.0	-66.40	426.35	10.63	-55.77
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013509494	0	58	0.0	-73.95	422.91	10.07	-63.88
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCCCC(=O)[O-])C=C1	REAL300013509495	0	51	0.0	-71.62	395.12	7.37	-64.25
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300013509496	0	58	0.0	-74.01	421.27	9.96	-64.05
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013509497	0	59	0.0	-69.20	431.00	7.24	-61.96
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013509498	0	57	0.0	-72.56	427.82	8.25	-64.31
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300013509499	0	60	0.0	-66.52	433.75	9.10	-57.42
CC[NH+](CC)CCOC1=CC=C(NC(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300013509500	0	55	0.0	-67.55	411.09	8.65	-58.90
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC(C)C(=O)[O-])C=C1	REAL300013509501	0	51	0.0	-74.77	392.98	7.36	-67.41
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300013509502	0	57	0.0	-68.41	421.85	8.34	-60.07
CC[NH+](CC)CCOC1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013509503	0	55	0.0	-71.61	413.02	8.37	-63.24
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300013509504	0	61	0.0	-75.05	446.07	11.00	-64.05
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C=C1	REAL300013509505	0	57	0.0	-70.83	422.63	7.84	-62.99
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013509506	0	58	0.0	-70.75	433.92	9.38	-61.37
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(C(=O)[O-])C(C)C2)C=C1	REAL300013509507	0	58	0.0	-70.98	422.60	10.50	-60.48
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCC2)C=C1	REAL300013509508	0	55	0.0	-68.15	412.70	8.28	-59.87
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300013509509	0	58	0.0	-73.36	437.35	9.15	-64.21
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013509510	0	58	0.0	-73.95	422.91	10.07	-63.88
CC[NH+](CC)CCOC1=CC=C(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300013509511	0	63	0.0	-73.79	457.92	9.48	-64.31
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013509512	0	52	0.0	-67.07	396.56	8.02	-59.05
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013509513	0	55	0.0	-75.99	422.70	9.29	-66.70
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(COC)(C(=O)[O-])C2)C=C1	REAL300013509514	0	59	0.0	-77.81	444.57	9.39	-68.42
CC[NH+](CC)CCOC1=CC=C(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013509515	0	52	0.0	-70.73	400.27	7.93	-62.80
CC[NH+](CC)CCOC1=CC=C(NC(=O)NC2CCN(CC(=O)[O-])CC2)C=C1	REAL300013509516	0	60	0.0	-73.74	443.98	6.66	-67.08
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013509517	0	55	0.0	-78.84	410.21	9.80	-69.04
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300013509518	0	55	0.0	-66.33	410.45	9.83	-56.50
CC[NH+](CC)CCOC1=CC=C(NC(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300013509519	0	52	0.0	-70.91	400.62	7.93	-62.98
CC[NH+](CC)CCOC1=CC=C(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300013509520	0	52	0.0	-70.89	396.28	7.69	-63.20
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013509521	0	55	0.0	-78.51	432.89	9.46	-69.05
CCC(CNC(=O)NC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300013509522	0	54	0.0	-68.05	405.31	7.85	-60.20
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCCCC2CCC(=O)[O-])C=C1	REAL300013509523	0	61	0.0	-75.82	439.18	10.94	-64.88
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CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300013509526	0	58	0.0	-77.88	423.72	10.57	-67.31
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CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300013509530	0	56	0.0	-75.89	418.77	7.36	-68.53
CC[NH+](CC)CCOC1=CC=C(NC(=O)NC2=CN(CC(=O)[O-])C=N2)C=C1	REAL300013509531	0	52	0.0	-72.50	405.78	9.82	-62.68
CC[NH+](CC)CCOC1=CC=C(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300013509532	0	53	0.0	-77.89	410.66	8.14	-69.75
CC[NH+](CC)CCOC1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300013509533	0	58	0.0	-71.27	431.08	9.58	-61.69
CC[NH+](CC)CCOC1=CC=C(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300013509534	0	61	0.0	-77.26	455.29	9.87	-67.39
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300013509535	0	58	0.0	-70.66	427.62	10.50	-60.16
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCC(OCC(=O)[O-])CC2)C=C1	REAL300013509536	0	59	0.0	-77.11	440.30	9.62	-67.49
CC[NH+](CC)CCOC1=CC=C(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013509537	0	58	0.0	-72.88	431.19	8.86	-64.02
CC[NH+](CC)CCOC1=CC=C(NC(=O)NC2CCCC(C(=O)[O-])C2)C=C1	REAL300013509538	0	58	0.0	-72.90	431.19	8.86	-64.04
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300013509539	0	59	0.0	-72.21	436.80	7.69	-64.52
CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300013509540	0	56	0.0	-66.61	418.38	6.39	-60.22
CC[NH+](CC)CCOC1=CC=C(NC(=O)N2C3CCC2C(C(=O)[O-])C3)C=C1	REAL300013509541	0	56	0.0	-75.02	414.47	10.24	-64.78
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CC[NH+](CC)CCOC1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013509543	0	52	0.0	-67.07	396.56	8.02	-59.05
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CC[NH+](CC)CCOC1=CC=C(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300013509545	0	56	0.0	-78.23	416.89	9.06	-69.17
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CC(C1CC1)N1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013512054	1	49	0.0	-39.93	379.42	6.73	-33.20
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COC1=CC=C(CN2C=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=N2)C=C1	REAL300013512223	1	53	0.0	-41.64	420.03	8.06	-33.58
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CC1=CC(NC(=O)NCC(C)(O)C(=O)[O-])=CC=C1N1CC[NH+](C)CC1	REAL300013515349	0	51	0.0	-72.69	394.91	4.30	-68.39
CC1=CC(NC(=O)NCC(C)(C)C(=O)[O-])=CC=C1N1CC[NH+](C)CC1	REAL300013515350	0	53	0.0	-76.65	401.84	7.42	-69.23
CC1=CC(NC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515351	0	57	0.0	-75.31	442.86	10.38	-64.93
CC1=CC(NC(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515352	0	54	0.0	-74.18	405.73	8.90	-65.28
CC1=CC(NC(=O)N(C)CC(C)C(=O)[O-])=CC=C1N1CC[NH+](C)CC1	REAL300013515353	0	53	0.0	-74.59	398.05	8.65	-65.94
CC1=CC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515354	0	57	0.0	-69.32	423.23	9.83	-59.49
CC1=CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515355	0	57	0.0	-75.88	413.80	9.55	-66.33
CC1=CC(NC(=O)NCCCC(=O)[O-])=CC=C1N1CC[NH+](C)CC1	REAL300013515356	0	50	0.0	-73.14	387.90	6.76	-66.38
CC1=CC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515357	0	57	0.0	-76.86	416.33	9.71	-67.15
CC1=CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515358	0	58	0.0	-69.66	429.01	6.76	-62.90
CC1=CC(NC(=O)NCCC(C)(C)C(=O)[O-])=CC=C1N1CC[NH+](C)CC1	REAL300013515359	0	56	0.0	-74.04	421.19	7.64	-66.40
CCC(CC)(CNC(=O)NC1=CC=C(N2CC[NH+](C)CC2)C(C)=C1)C(=O)[O-]	REAL300013515360	0	59	0.0	-72.10	433.21	8.48	-63.62
CC1=CC(NC(=O)NC2(CC(=O)[O-])CCC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515361	0	54	0.0	-72.50	407.30	8.42	-64.08
CC1=CC(NC(=O)NCC(C)C(=O)[O-])=CC=C1N1CC[NH+](C)CC1	REAL300013515362	0	50	0.0	-75.34	384.95	6.72	-68.62
CC1=CC(NC(=O)NCC(C(=O)[O-])C(C)C)=CC=C1N1CC[NH+](C)CC1	REAL300013515363	0	56	0.0	-72.47	423.69	7.91	-64.56
CC1=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515364	0	54	0.0	-73.38	409.33	8.03	-65.35
CC1=CC(NC(=O)N2CCC(CCC(=O)[O-])CC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515365	0	60	0.0	-77.33	442.44	10.66	-66.67
CC1=CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515366	0	56	0.0	-77.38	419.61	7.46	-69.92
CC1=CC(NC(=O)NCC2(C(=O)[O-])CCCC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515367	0	57	0.0	-72.05	426.39	8.81	-63.24
CC1=CC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515368	0	57	0.0	-73.76	413.79	10.02	-63.74
CC1=CC(NC(=O)NCC2(C(=O)[O-])CCC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515369	0	54	0.0	-70.65	409.31	7.97	-62.68
CC1=CC(NC(=O)NCC(CC(=O)[O-])C2CC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515370	0	57	0.0	-76.45	433.67	8.85	-67.60
CC1=CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515371	0	57	0.0	-75.88	413.80	9.55	-66.33
CC1=CC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)=CC=C1N1CC[NH+](C)CC1	REAL300013515372	0	62	0.0	-74.76	453.87	9.19	-65.57
CC1=CC(NC(=O)NCC2(C(=O)[O-])CC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515373	0	51	0.0	-69.91	393.57	7.71	-62.20
CC1=CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])=CC=C1N1CC[NH+](C)CC1	REAL300013515374	0	54	0.0	-77.26	419.30	8.99	-68.27
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(N3CC[NH+](C)CC3)C(C)=C2)C1	REAL300013515375	0	58	0.0	-81.73	437.88	7.98	-73.75
CC1=CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515376	0	51	0.0	-73.74	393.00	7.35	-66.39
CC1=CC(NC(=O)NC2CCN(CC(=O)[O-])CC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515377	0	59	0.0	-74.51	441.18	6.43	-68.08
CC1=CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515378	0	54	0.0	-78.00	401.69	9.24	-68.76
CC1=CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515379	0	54	0.0	-70.06	402.90	9.30	-60.76
CC1=CC(NC(=O)NC2CC(C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515380	0	51	0.0	-73.74	392.71	7.38	-66.36
CC1=CC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515381	0	51	0.0	-74.81	392.90	7.39	-67.42
CC1=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515382	0	54	0.0	-79.74	425.70	8.86	-70.88
CCC(CNC(=O)NC1=CC=C(N2CC[NH+](C)CC2)C(C)=C1)C(=O)[O-]	REAL300013515383	0	53	0.0	-71.97	406.90	7.43	-64.54
CC1=CC(NC(=O)N2CCCCC2CCC(=O)[O-])=CC=C1N1CC[NH+](C)CC1	REAL300013515384	0	60	0.0	-79.99	436.27	10.65	-69.34
CC1=CC(NC(=O)NCCCCCCCC(=O)[O-])=CC=C1N1CC[NH+](C)CC1	REAL300013515385	0	62	0.0	-77.80	473.90	9.88	-67.92
CC1=CC(NC(=O)NCCCCCCC(=O)[O-])=CC=C1N1CC[NH+](C)CC1	REAL300013515386	0	59	0.0	-78.04	452.40	9.10	-68.94
CC1=CC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515387	0	57	0.0	-78.48	417.33	9.99	-68.49
CC1=CC(NC(=O)N2CCCC(CCC(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515388	0	60	0.0	-77.84	442.89	10.68	-67.16
CC1=CC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515389	0	55	0.0	-69.72	413.75	7.96	-61.76
CC1=CC(NC(=O)N2CC(C(=O)[O-])CCC2C)=CC=C1N1CC[NH+](C)CC1	REAL300013515390	0	57	0.0	-69.72	418.46	9.82	-59.90
CC1=CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515391	0	55	0.0	-76.47	412.12	6.78	-69.69
CC1=CC(NC(=O)NC2=CN(CC(=O)[O-])C=N2)=CC=C1N1CC[NH+](C)CC1	REAL300013515392	0	51	0.0	-72.87	402.39	9.49	-63.38
CC1=CC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1N1CC[NH+](C)CC1	REAL300013515393	0	52	0.0	-77.27	403.13	7.56	-69.71
CC1=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515394	0	57	0.0	-73.60	423.88	8.99	-64.61
CC1=CC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515395	0	60	0.0	-78.28	447.79	9.32	-68.96
CC1=CC(NC(=O)N2CCC(CC(=O)[O-])CC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515396	0	57	0.0	-71.37	418.86	9.98	-61.39
CC1=CC(NC(=O)N2CCC(OCC(=O)[O-])CC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515397	0	58	0.0	-77.21	436.71	9.31	-67.90
CC1=CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515398	0	57	0.0	-74.20	427.49	8.57	-65.63
CC1=CC(NC(=O)NC2CCCC(C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515399	0	57	0.0	-72.99	423.87	8.99	-64.00
CC1=CC(NC(=O)NCC2(C(=O)[O-])CCCOC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515400	0	58	0.0	-74.75	432.96	7.42	-67.33
CC1=CC(NC(=O)NCC2(C(=O)[O-])CCOC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515401	0	55	0.0	-70.78	414.81	6.14	-64.64
CC1=CC(NC(=O)N2C3CCC2C(C(=O)[O-])C3)=CC=C1N1CC[NH+](C)CC1	REAL300013515402	0	55	0.0	-84.42	411.12	9.74	-74.68
CC1=CC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1N1CC[NH+](C)CC1	REAL300013515403	0	52	0.0	-75.41	404.53	8.06	-67.35
CC1=CC(NC(=O)NCC2(C(=O)[O-])CC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515404	0	51	0.0	-69.91	393.57	7.71	-62.20
CC1=CC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515405	0	58	0.0	-70.89	429.96	10.07	-60.82
CC1=CC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515406	0	55	0.0	-78.81	410.38	8.50	-70.31
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(N3CC[NH+](C)CC3)C(C)=C2)C1	REAL300013515407	0	58	0.0	-80.65	433.38	8.33	-72.32
CC1=CC(NC(=O)N2CCC(C(=O)[O-])C2)=CC=C1N1CC[NH+](C)CC1	REAL300013515408	0	51	0.0	-75.12	388.76	8.37	-66.75
CC1=CC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1N1CC[NH+](C)CC1	REAL300013515409	0	52	0.0	-78.12	403.80	8.08	-70.04
CC1=CC(NC(=O)NC2(CC(=O)[O-])CCCCC2)=CC=C1N1CC[NH+](C)CC1	REAL300013515410	0	60	0.0	-72.04	432.28	10.07	-61.97
CC1=CC(NC(=O)NC(C)CCC(=O)[O-])=CC=C1N1CC[NH+](C)CC1	REAL300013515411	0	53	0.0	-75.32	407.38	7.80	-67.52
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2OC(F)(F)F)CC1	REAL300013515469	1	43	0.0	-35.48	351.68	6.06	-29.42
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C(=O)[O-])CC3)C=C2C)CC1	REAL300013515515	0	57	0.0	-74.22	419.60	10.05	-64.17
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3=CC=CC(CC(=O)[O-])=C3)C=C2C)CC1	REAL300013515516	0	57	0.0	-73.38	439.53	10.21	-63.17
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3=CC=C(C(=O)[O-])C=C3)C=C2C)CC1	REAL300013515517	0	57	0.0	-79.57	443.41	9.57	-70.00
CC[NH+]1CCN(C2=CC=C(NC(=O)NC(C)(C)CCC(=O)[O-])C=C2C)CC1	REAL300013515518	0	59	0.0	-72.66	432.18	8.40	-64.26
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCOC(C(=O)[O-])C3)C=C2C)CC1	REAL300013515519	0	55	0.0	-77.03	412.37	8.37	-68.66
CC[NH+]1CCN(C2=CC=C(NC(=O)N(C)CCC(=O)[O-])C=C2C)CC1	REAL300013515520	0	53	0.0	-78.60	401.71	9.05	-69.55
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3CCC(C(=O)[O-])CC3)C=C2C)CC1	REAL300013515521	0	60	0.0	-74.57	440.29	9.64	-64.93
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCCCC(=O)[O-])C=C2C)CC1	REAL300013515522	0	56	0.0	-78.57	427.14	8.24	-70.33
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2C)CC1	REAL300013515523	0	57	0.0	-80.95	443.41	9.55	-71.40
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCC(=O)[O-])C=C2C)CC1	REAL300013515524	0	50	0.0	-76.76	384.15	6.67	-70.09
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCCCCC(=O)[O-])C=C2C)CC1	REAL300013515525	0	59	0.0	-77.65	448.64	9.02	-68.63
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C)(O)C(=O)[O-])C=C2C)CC1	REAL300013515526	0	54	0.0	-74.79	412.65	5.00	-69.79
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C)(C)C(=O)[O-])C=C2C)CC1	REAL300013515527	0	56	0.0	-79.11	419.59	8.12	-70.99
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C)(C(=O)[O-])C3)C=C2C)CC1	REAL300013515528	0	57	0.0	-78.20	426.48	9.51	-68.69
CC[NH+]1CCN(C2=CC=C(NC(=O)N(C)CC(C)C(=O)[O-])C=C2C)CC1	REAL300013515529	0	56	0.0	-76.94	415.79	9.36	-67.58
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CC(C)CC(C(=O)[O-])C3)C=C2C)CC1	REAL300013515530	0	60	0.0	-68.79	440.95	10.52	-58.27
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2C)CC1	REAL300013515531	0	60	0.0	-78.67	432.86	10.19	-68.48
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCCC(=O)[O-])C=C2C)CC1	REAL300013515532	0	53	0.0	-74.42	405.65	7.46	-66.96
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C)C(C(=O)[O-])C3)C=C2C)CC1	REAL300013515533	0	60	0.0	-80.61	435.64	10.38	-70.23
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCC(C)(C)C(=O)[O-])C=C2C)CC1	REAL300013515534	0	59	0.0	-75.32	438.35	8.33	-66.99
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(CC)(CC)C(=O)[O-])C=C2C)CC1	REAL300013515535	0	62	0.0	-70.21	446.54	9.31	-60.90
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3(CC(=O)[O-])CCC3)C=C2C)CC1	REAL300013515536	0	57	0.0	-69.56	423.97	8.68	-60.88
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C)C(=O)[O-])C=C2C)CC1	REAL300013515537	0	53	0.0	-77.52	401.82	7.40	-70.12
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(C(=O)[O-])C(C)C)C=C2C)CC1	REAL300013515538	0	59	0.0	-72.77	434.77	8.73	-64.04
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2C)CC1	REAL300013515539	0	57	0.0	-72.07	427.07	8.71	-63.36
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CCCC3)C=C2C)CC1	REAL300013515540	0	60	0.0	-70.48	444.10	9.50	-60.98
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C(=O)[O-])C(C)C3)C=C2C)CC1	REAL300013515541	0	60	0.0	-72.35	431.53	10.70	-61.65
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CCC3)C=C2C)CC1	REAL300013515542	0	57	0.0	-69.10	426.13	8.80	-60.30
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC(CC(=O)[O-])C3CC3)C=C2C)CC1	REAL300013515543	0	60	0.0	-78.25	451.66	9.51	-68.74
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2C)CC1	REAL300013515544	0	60	0.0	-78.67	432.86	10.19	-68.48
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CC3)C=C2C)CC1	REAL300013515545	0	54	0.0	-68.33	411.29	8.39	-59.94
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C=C2C)CC1	REAL300013515546	0	57	0.0	-80.31	437.02	9.67	-70.64
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2C)CC1	REAL300013515547	0	54	0.0	-72.43	411.02	7.96	-64.47
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2C)CC1	REAL300013515548	0	57	0.0	-67.12	418.41	9.97	-57.15
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2C)CC1	REAL300013515549	0	57	0.0	-68.59	420.64	9.97	-58.62
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3CC(C(=O)[O-])C3)C=C2C)CC1	REAL300013515550	0	54	0.0	-75.36	411.11	8.03	-67.33
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2C)CC1	REAL300013515551	0	54	0.0	-73.60	410.64	8.07	-65.53
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2C)CC1	REAL300013515552	0	57	0.0	-80.95	443.41	9.55	-71.40
CCC(CNC(=O)NC1=CC=C(N2CC[NH+](CC)CC2)C(C)=C1)C(=O)[O-]	REAL300013515553	0	56	0.0	-72.33	419.47	8.34	-63.99
CC[NH+]1CCN(C2=CC=C(NC(=O)NCCCCCCC(=O)[O-])C=C2C)CC1	REAL300013515554	0	62	0.0	-79.77	470.14	9.80	-69.97
CC[NH+]1CCN(C2=CC=C(NC(=O)N(C)CCCC(=O)[O-])C=C2C)CC1	REAL300013515555	0	56	0.0	-79.13	423.21	9.85	-69.28
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2C)CC1	REAL300013515556	0	60	0.0	-77.06	435.07	10.66	-66.40
CC[NH+]1CCN(C2=CC=C(NC(=O)N(CCOC)CCC(=O)[O-])C=C2C)CC1	REAL300013515557	0	60	0.0	-69.37	454.90	9.20	-60.17
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CC(C(=O)[O-])CCC3C)C=C2C)CC1	REAL300013515558	0	60	0.0	-67.17	434.31	10.55	-56.62
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCCC(O)(C(=O)[O-])C3)C=C2C)CC1	REAL300013515559	0	58	0.0	-78.30	429.76	7.51	-70.79
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3=CN(CC(=O)[O-])C=N3)C=C2C)CC1	REAL300013515560	0	54	0.0	-71.87	420.11	10.17	-61.70
CC[NH+]1CCN(C2=CC=C(NC(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2C)CC1	REAL300013515561	0	55	0.0	-80.04	420.86	8.25	-71.79
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=C2C)CC1	REAL300013515562	0	60	0.0	-73.53	441.24	9.74	-63.79
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(CC(=O)[O-])CC3)C=C2C)CC1	REAL300013515563	0	60	0.0	-70.05	436.60	10.65	-59.40
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2C)CC1	REAL300013515564	0	60	0.0	-72.79	445.52	9.23	-63.56
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3CCCC(C(=O)[O-])C3)C=C2C)CC1	REAL300013515565	0	60	0.0	-73.63	441.61	9.67	-63.96
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CCOC3)C=C2C)CC1	REAL300013515566	0	58	0.0	-71.06	432.79	6.79	-64.27
CC[NH+]1CCN(C2=CC=C(NC(=O)N3C4CCC3C(C(=O)[O-])C4)C=C2C)CC1	REAL300013515567	0	58	0.0	-83.14	428.86	10.42	-72.72
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2C)CC1	REAL300013515568	0	55	0.0	-76.79	421.90	8.81	-67.98
CC[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CC3)C=C2C)CC1	REAL300013515569	0	54	0.0	-68.33	411.29	8.39	-59.94
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2C)CC1	REAL300013515570	0	58	0.0	-77.35	428.12	9.18	-68.17
CC[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C(=O)[O-])C3)C=C2C)CC1	REAL300013515571	0	54	0.0	-77.35	406.78	9.03	-68.32
CC[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2C)CC1	REAL300013515572	0	55	0.0	-76.46	421.16	8.82	-67.64
CC[NH+]1CCN(C2=CC=C(NC(=O)NC(C)CCC(=O)[O-])C=C2C)CC1	REAL300013515573	0	56	0.0	-72.94	425.40	8.47	-64.47
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(F)=CC(F)=C2)CC1	REAL300013515589	1	39	0.0	-41.67	319.98	6.22	-35.45
COC1=CC=CC=C1OC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013515712	1	54	0.0	-41.31	425.73	8.90	-32.41
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C(F)(F)F	REAL300013515785	1	45	0.0	-36.63	361.27	7.65	-28.98
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3OC4(CCCCC4)OC3=C2)CC1	REAL300013515879	1	55	0.0	-45.35	415.45	8.28	-37.07
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2C2=CC=CS2)CC1	REAL300013515956	1	46	0.0	-39.76	373.62	9.18	-30.58
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C(=O)NC3CC3)C=C2)CC1	REAL300013516046	1	50	0.0	-44.50	395.25	6.15	-38.35
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(S(=O)(=O)NC3CC3)=C2)CC1	REAL300013516129	1	51	0.0	-44.87	415.89	3.97	-40.90
CS(=O)(=O)C1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013516204	1	45	0.0	-43.03	361.09	4.37	-38.66
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C3=NC4=CC=CC=C4O3)C=C2)CC1	REAL300013516289	1	51	0.0	-43.54	409.70	6.87	-36.67
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(N3CCCC3=O)C(Cl)=C2)CC1	REAL300013516393	1	50	0.0	-45.41	409.01	8.24	-37.17
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1N1CCCC1=O	REAL300013516467	1	54	0.0	-45.32	422.42	6.90	-38.42
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(N3CCCS3(=O)=O)C=C2)CC1	REAL300013516542	1	51	0.0	-51.59	403.53	4.62	-46.97
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1N1CCCC1=O	REAL300013516623	1	53	0.0	-43.92	410.96	8.54	-35.38
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(NC(=O)C3CC3)C=C2)CC1	REAL300013516706	1	50	0.0	-41.07	394.11	6.64	-34.43
CCS(=O)(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013516792	1	48	0.0	-45.04	389.02	4.55	-40.49
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2OCC(F)(F)F)CC1	REAL300013516875	1	46	0.0	-37.62	376.61	6.97	-30.65
COC(=O)C1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)SC(C(C)(C)C)=C1	REAL300013516954	1	54	0.0	-36.55	429.28	8.67	-27.88
COC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1Br	REAL300013517029	1	43	0.0	-40.12	356.80	6.08	-34.04
CC(C)S(=O)(=O)CC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013517158	1	54	0.0	-46.27	430.61	5.83	-40.44
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1N1C(=O)CCC1=O	REAL300013517234	1	52	0.0	-46.77	412.88	7.77	-39.00
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OCC3CC3)C=C2)CC1	REAL300013517309	1	50	0.0	-38.14	390.25	7.93	-30.21
CC(=O)NCC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013517395	1	49	0.0	-42.41	389.06	5.15	-37.26
CC1=CC=C(OC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2)N=C1	REAL300013517483	1	52	0.0	-41.25	414.54	7.15	-34.10
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(F)C=C2OCC(F)(F)F)CC1	REAL300013517625	1	46	0.0	-37.17	382.48	7.01	-30.16
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OC3=CC=CC=N3)C=C2)CC1	REAL300013517702	1	49	0.0	-41.55	393.09	6.51	-35.04
CCSC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013517777	1	46	0.0	-39.05	368.54	7.99	-31.06
COC(=O)C1=NNC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C21	REAL300013517983	1	48	0.0	-46.83	388.66	5.48	-41.35
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1OC(F)F	REAL300013518063	1	46	0.0	-38.56	366.19	6.45	-32.11
CCCS(=O)(=O)NC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013518147	1	53	0.0	-45.26	423.72	4.55	-40.71
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=NN=C1C	REAL300013518198	1	43	0.0	-45.06	337.22	5.71	-39.35
CC1=CC=NC(C2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)=N1	REAL300013518285	1	50	0.0	-47.98	397.61	8.06	-39.92
CC1=CC=NC(C2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2)=N1	REAL300013518370	1	50	0.0	-41.82	397.95	8.06	-33.76
CC(OC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013518468	1	56	0.0	-36.84	435.16	10.25	-26.59
CC(C)(C)OC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013518543	1	52	0.0	-36.61	387.73	7.35	-29.26
CC(C)(C)S(=O)CC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013518628	1	56	0.0	-48.85	439.13	7.39	-41.46
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OC3CCCCC3)C=C2)CC1	REAL300013518723	1	56	0.0	-37.81	418.68	8.93	-28.88
CCC1=NN(C)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013518827	1	45	0.0	-40.95	350.76	6.17	-34.78
COC(=O)C1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C(C)N1	REAL300013518990	1	46	0.0	-38.45	365.45	5.23	-33.22
CC(C)COC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013519073	1	51	0.0	-42.43	397.71	5.22	-37.21
CC(=O)N(CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1)C(C)C	REAL300013519159	1	58	0.0	-41.07	436.09	8.47	-32.60
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013519295	1	51	0.0	-46.53	403.12	5.10	-41.43
CC(C)OC(=O)NCC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013519374	1	56	0.0	-40.88	442.00	6.19	-34.69
COC(=O)N(C)CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013519567	1	53	0.0	-40.90	418.84	7.12	-33.78
COC(=O)NCC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013519649	1	50	0.0	-41.06	399.90	4.56	-36.50
CCC1=NC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C2O1	REAL300013519733	1	47	0.0	-39.92	372.10	4.54	-35.38
CS(=O)(=O)NCC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013519824	1	50	0.0	-47.22	406.81	2.95	-44.27
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC3=C(COCC3)S2)CC1	REAL300013519896	1	43	0.0	-38.83	346.16	4.51	-34.32
CC1=NC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1Br	REAL300013519980	1	41	0.0	-36.70	338.15	5.63	-31.07
CC1=CC(C2=NC=CC=C2NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CS1	REAL300013520065	1	48	0.0	-37.82	389.11	8.23	-29.59
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013520108	0	48	0.0	-76.65	363.65	9.86	-66.79
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300013520109	0	48	0.0	-76.18	382.29	10.09	-66.09
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013520110	0	48	0.0	-79.12	386.12	9.45	-69.67
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013520111	0	50	0.0	-72.27	374.25	8.20	-64.07
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013520112	0	46	0.0	-86.42	355.10	8.25	-78.17
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013520113	0	51	0.0	-85.80	388.76	9.12	-76.68
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCCCCC(=O)[O-]	REAL300013520114	0	47	0.0	-82.50	369.21	8.06	-74.44
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013520115	0	48	0.0	-77.84	385.48	9.36	-68.48
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCCCCCC(=O)[O-]	REAL300013520116	0	50	0.0	-79.73	390.71	8.83	-70.90
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC(C)(O)C(=O)[O-]	REAL300013520117	0	45	0.0	-76.83	354.31	4.76	-72.07
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013520118	0	58	0.0	-75.42	434.52	12.86	-62.56
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013520119	0	47	0.0	-83.38	361.65	7.94	-75.44
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300013520120	0	51	0.0	-79.01	403.69	10.90	-68.11
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013520121	0	48	0.0	-80.40	367.40	9.42	-70.98
CC(CN(C)C(=O)NC1=CC=CC=C1CC[NH+](C)C)C(=O)[O-]	REAL300013520122	0	47	0.0	-87.16	358.25	9.39	-77.77
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=CC=C2CC[NH+](C)C)C1	REAL300013520123	0	51	0.0	-59.28	379.49	10.52	-48.76
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013520124	0	51	0.0	-79.91	374.50	10.02	-69.89
CC1CCN(C(=O)NC2=CC=CC=C2CC[NH+](C)C)CC1C(=O)[O-]	REAL300013520125	0	51	0.0	-89.86	382.78	10.37	-79.49
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013520126	0	52	0.0	-66.60	386.16	7.47	-59.13
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013520127	0	50	0.0	-74.75	380.41	8.13	-66.62
CCC(CC)(CNC(=O)NC1=CC=CC=C1CC[NH+](C)C)C(=O)[O-]	REAL300013520128	0	53	0.0	-67.72	393.30	8.96	-58.76
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013520129	0	48	0.0	-69.53	367.36	8.74	-60.79
CC(C)C(CNC(=O)NC1=CC=CC=C1CC[NH+](C)C)C(=O)[O-]	REAL300013520130	0	50	0.0	-68.51	383.50	8.42	-60.09
CC(NC(=O)NC1=CC=CC=C1CC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013520131	0	57	0.0	-87.05	421.17	9.88	-77.17
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013520132	0	54	0.0	-64.32	417.23	10.67	-53.65
C[NH+](C)CCC1=CC=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013520133	0	48	0.0	-73.18	369.80	8.59	-64.59
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013520134	0	54	0.0	-78.44	402.95	11.24	-67.20
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013520135	0	50	0.0	-86.03	380.20	7.98	-78.05
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013520136	0	51	0.0	-62.83	386.81	9.40	-53.43
CC1CN(C(=O)NC2=CC=CC=C2CC[NH+](C)C)CCC1C(=O)[O-]	REAL300013520137	0	51	0.0	-76.50	375.44	10.51	-65.99
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013520138	0	48	0.0	-60.88	368.87	8.68	-52.20
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013520139	0	51	0.0	-83.72	394.30	9.39	-74.33
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013520140	0	51	0.0	-79.91	374.50	10.02	-69.89
CC(C)C[C@H](CNC(=O)NC1=CC=CC=C1CC[NH+](C)C)CC(=O)[O-]	REAL300013520141	0	56	0.0	-78.29	414.11	9.69	-68.60
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013520142	0	45	0.0	-58.49	354.00	8.29	-50.20
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013520143	0	48	0.0	-70.04	379.73	9.55	-60.49
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC=C2CC[NH+](C)C)C1	REAL300013520144	0	52	0.0	-83.94	400.19	8.48	-75.46
C[NH+](C)CCC1=CC=CC=C1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013520145	0	45	0.0	-74.59	352.78	7.81	-66.78
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013520146	0	53	0.0	-77.91	400.67	6.85	-71.06
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC3=CC=CC=C3CC[NH+](C)C)C2)C=N1	REAL300013520147	0	58	0.0	-58.84	445.54	11.08	-47.76
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013520148	0	48	0.0	-87.22	361.33	9.75	-77.47
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013520149	0	48	0.0	-56.82	362.54	9.79	-47.03
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013520150	0	45	0.0	-73.32	353.87	7.88	-65.44
C[NH+](C)CCC1=CC=CC=C1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013520151	0	45	0.0	-76.52	353.35	7.96	-68.56
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013520152	0	48	0.0	-77.84	385.48	9.36	-68.48
CCC(CNC(=O)NC1=CC=CC=C1CC[NH+](C)C)C(=O)[O-]	REAL300013520153	0	47	0.0	-66.37	361.70	8.04	-58.33
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013520154	0	54	0.0	-95.35	396.18	11.18	-84.17
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013520155	0	56	0.0	-82.42	433.71	10.40	-72.02
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCCCCCCC(=O)[O-]	REAL300013520156	0	53	0.0	-84.44	412.21	9.63	-74.81
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013520157	0	51	0.0	-88.34	377.14	10.48	-77.86
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=CC=C2CC[NH+](C)C)C1	REAL300013520158	0	55	0.0	-92.72	409.16	9.65	-83.07
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013520159	0	54	0.0	-88.86	403.32	11.24	-77.62
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013520160	0	52	0.0	-84.85	395.04	12.34	-72.51
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013520161	0	49	0.0	-68.34	375.04	8.48	-59.86
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=CC=C1CC[NH+](C)C	REAL300013520162	0	51	0.0	-53.02	377.26	10.31	-42.71
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013520163	0	55	0.0	-58.96	423.94	12.35	-46.61
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013520164	0	49	0.0	-80.17	371.82	7.22	-72.95
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013520165	0	52	0.0	-76.55	408.83	10.65	-65.90
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013520166	0	55	0.0	-101.49	413.71	9.61	-91.88
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1=CN(CC(=O)[O-])C=N1	REAL300013520167	0	45	0.0	-79.43	362.83	10.06	-69.37
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC=C2CC[NH+](C)C)CC1	REAL300013520168	0	55	0.0	-83.10	405.45	9.93	-73.17
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013520169	0	46	0.0	-85.37	363.61	8.12	-77.25
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013520170	0	57	0.0	-79.31	409.26	10.10	-69.21
C[NH+](C)CCC1=CC=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013520171	0	51	0.0	-70.16	384.33	9.56	-60.60
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013520172	0	54	0.0	-81.22	407.85	9.77	-71.45
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013520173	0	51	0.0	-67.69	380.64	10.47	-57.22
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013520174	0	52	0.0	-80.41	397.25	9.90	-70.51
C[NH+](C)CCC1=CC=CC=C1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013520175	0	51	0.0	-75.21	387.58	9.03	-66.18
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013520176	0	51	0.0	-71.30	384.36	9.54	-61.76
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013520177	0	52	0.0	-61.89	390.69	7.70	-54.19
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013520178	0	49	0.0	-65.91	375.50	6.68	-59.23
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1C2CCC1C(C(=O)[O-])C2	REAL300013520179	0	49	0.0	-86.80	370.92	10.23	-76.57
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013520180	0	60	0.0	-80.29	461.33	11.83	-68.46
C[NH+](C)CCC1=CC=CC=C1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013520181	0	46	0.0	-72.21	364.33	8.56	-63.65
C[NH+](C)CCC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013520182	0	45	0.0	-58.49	354.00	8.29	-50.20
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013520183	0	52	0.0	-63.63	390.52	10.59	-53.04
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013520184	0	48	0.0	-71.47	382.31	9.59	-61.88
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013520185	0	49	0.0	-87.34	370.85	9.04	-78.30
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=CC=C2CC[NH+](C)C)C1	REAL300013520186	0	52	0.0	-83.67	395.08	8.66	-75.01
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300013520187	0	52	0.0	-89.26	415.54	11.58	-77.68
C[NH+](C)CCC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])C1	REAL300013520188	0	45	0.0	-81.37	349.12	8.86	-72.51
C[NH+](C)CCC1=CC=CC=C1NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013520189	0	46	0.0	-84.07	363.90	8.56	-75.51
C[NH+](C)CCC1=CC=CC=C1NC(=O)NC1(CC(=O)[O-])CCCCC1	REAL300013520190	0	54	0.0	-75.92	392.86	10.51	-65.41
CC(CCC(=O)[O-])NC(=O)NC1=CC=CC=C1CC[NH+](C)C	REAL300013520191	0	47	0.0	-72.63	367.46	8.27	-64.36
CC1=CC=C(C2=NC=CC=C2NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013520233	1	48	0.0	-38.02	389.19	8.34	-29.68
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CN=C2C2=CC=C(Cl)S2)CC1	REAL300013520314	1	45	0.0	-37.07	384.36	8.15	-28.92
CC(C)(C)N1C=C(C#N)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013520389	1	50	0.0	-42.47	384.48	9.19	-33.28
CC(C)C1=NN=C2C=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CN21	REAL300013520477	1	50	0.0	-46.32	394.67	8.25	-38.07
CC1=CC=C(C(=O)NCC2CC2)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013520616	1	56	0.0	-45.32	434.65	7.69	-37.63
CCC1(C)OC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2O1	REAL300013520693	1	51	0.0	-40.94	388.86	6.89	-34.05
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(F)=CC(F)=C2Br)CC1	REAL300013520777	1	39	0.0	-39.48	336.89	6.99	-32.49
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(Cl)C=C2C2=CC=CC=C2)CC1	REAL300013520851	1	49	0.0	-36.05	400.12	10.70	-25.35
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CC(=O)OCCCC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013521012	1	54	0.0	-41.08	428.30	9.33	-31.75
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(Br)=C(F)C=C2F)CC1	REAL300013521093	1	39	0.0	-36.27	339.27	6.92	-29.35
COC(=O)C1=CC=C(C(C)C)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013521171	1	54	0.0	-42.08	417.79	8.93	-33.15
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(Cl)=CC=C2OCC2CCC2)CC1	REAL300013521251	1	53	0.0	-36.28	422.00	9.14	-27.14
COCCC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013521321	1	49	0.0	-36.62	378.82	6.87	-29.75
CC1=CC=C(N2C=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=N2)C(C)=C1	REAL300013521406	1	52	0.0	-40.49	402.21	8.91	-31.58
CN1C=C(C2=NC=CC=C2NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013521490	1	48	0.0	-39.56	380.03	6.19	-33.37
CC1=CN=C(Cl)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013521559	1	41	0.0	-37.21	337.01	5.54	-31.67
COCC(C)OC1=CC=C(Cl)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013521632	1	53	0.0	-37.76	425.48	7.05	-30.71
CCC1(CC)OC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2O1	REAL300013521828	1	54	0.0	-38.35	408.11	7.69	-30.66
CC[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(F)(F)F	REAL300013521884	1	41	0.0	-41.60	329.55	5.28	-36.32
COC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=N1	REAL300013521924	1	41	0.0	-44.94	330.56	2.78	-42.16
CS(=O)(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1Cl	REAL300013521990	1	45	0.0	-45.86	377.36	4.05	-41.81
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CSC(Cl)=C2)CC1	REAL300013522050	1	36	0.0	-41.50	314.09	5.67	-35.83
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(Cl)C=C2N2C=CC=N2)CC1	REAL300013522131	1	46	0.0	-36.76	376.68	8.56	-28.20
CCCC1=CC=CC(C(C)C)=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013522213	1	57	0.0	-35.82	420.48	9.98	-25.84
CN1C=CC2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C21	REAL300013522292	1	46	0.0	-40.06	355.18	8.23	-31.83
COC(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C(C)C=C1C	REAL300013522374	1	51	0.0	-40.91	396.22	8.20	-32.71
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC=C(C(F)(F)F)S2)CC1	REAL300013522458	1	38	0.0	-40.01	334.40	5.92	-34.09
CC1=CC(C)=NC(N2N=CC=C2NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013522544	1	50	0.0	-44.46	396.74	9.80	-34.66
CC1=CC(F)=C(Br)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013522624	1	42	0.0	-38.73	351.40	7.62	-31.11
CC1(C)CC2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2O1	REAL300013522731	1	50	0.0	-36.66	383.87	7.37	-29.29
CC1=CC([N+](=O)[O-])=C(C)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013522817	1	47	0.0	-41.42	369.89	8.22	-33.20
COC(=O)CC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013522918	1	47	0.0	-45.53	378.78	7.31	-38.22
COC(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(N(C)C)=C1	REAL300013523006	1	53	0.0	-38.57	414.71	6.64	-31.93
COC1=CC(Cl)=C(Cl)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013523089	1	43	0.0	-41.15	366.39	6.52	-34.63
COC1=CC=C2CCCC2=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013523169	1	50	0.0	-36.62	376.37	7.26	-29.36
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2SCC(F)(F)F)CC1	REAL300013523303	1	46	0.0	-37.32	385.01	8.58	-28.74
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(NC(=O)C3=CC=CO3)C=C2)CC1	REAL300013523465	1	50	0.0	-41.66	403.52	6.17	-35.49
CN(C)C(=O)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013523660	1	49	0.0	-47.82	376.23	5.83	-41.99
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C#CC3=CC=CC=C3)=C2)CC1	REAL300013523779	1	51	0.0	-41.07	416.31	11.26	-29.81
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013523821	0	55	0.0	-75.56	404.75	9.76	-65.80
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300013523822	0	55	0.0	-75.76	428.87	10.16	-65.60
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013523823	0	55	0.0	-75.00	427.51	9.32	-65.68
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013523824	0	57	0.0	-67.81	416.29	8.15	-59.66
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013523825	0	53	0.0	-81.32	400.22	8.40	-72.92
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N(C)CCC(=O)[O-]	REAL300013523826	0	51	0.0	-78.72	386.55	8.77	-69.95
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013523827	0	58	0.0	-79.89	433.90	9.28	-70.61
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCCCCC(=O)[O-]	REAL300013523828	0	54	0.0	-76.43	411.25	7.99	-68.44
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013523829	0	55	0.0	-78.13	427.52	9.30	-68.83
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCCC(=O)[O-]	REAL300013523830	0	48	0.0	-74.16	372.14	6.68	-67.48
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCCCCCC(=O)[O-]	REAL300013523831	0	57	0.0	-75.21	436.64	9.04	-66.17
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC(C)(O)C(=O)[O-]	REAL300013523832	0	52	0.0	-72.56	400.24	4.97	-67.59
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013523833	0	54	0.0	-77.68	407.58	8.14	-69.54
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300013523834	0	58	0.0	-78.21	450.27	10.96	-67.25
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013523835	0	55	0.0	-83.44	411.73	9.58	-73.86
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N(C)CC(C)C(=O)[O-]	REAL300013523836	0	54	0.0	-81.98	404.75	9.61	-72.37
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013523837	0	58	0.0	-52.84	419.68	10.49	-42.35
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013523838	0	58	0.0	-67.96	420.76	10.17	-57.79
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCCCC(=O)[O-]	REAL300013523839	0	51	0.0	-69.48	389.75	7.21	-62.27
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013523840	0	58	0.0	-58.55	426.92	10.50	-48.05
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013523841	0	59	0.0	-59.51	432.80	7.69	-51.82
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013523842	0	57	0.0	-70.22	422.45	8.09	-62.13
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013523843	0	60	0.0	-66.96	435.35	8.89	-58.07
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013523844	0	55	0.0	-71.51	413.09	8.88	-62.63
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC(C)C(=O)[O-]	REAL300013523845	0	51	0.0	-76.11	390.69	7.44	-68.67
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013523846	0	57	0.0	-61.22	424.18	8.73	-52.49
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013523847	0	55	0.0	-69.45	416.01	8.70	-60.75
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013523848	0	61	0.0	-75.95	444.06	11.14	-64.81
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013523849	0	57	0.0	-75.20	425.23	8.21	-66.99
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013523850	0	58	0.0	-67.54	432.83	9.53	-58.01
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013523851	0	58	0.0	-72.47	417.47	10.39	-62.08
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013523852	0	55	0.0	-65.46	414.12	8.83	-56.63
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013523853	0	58	0.0	-73.99	439.45	9.57	-64.42
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013523854	0	58	0.0	-67.96	420.76	10.17	-57.79
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013523855	0	63	0.0	-68.01	455.94	9.56	-58.45
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013523856	0	52	0.0	-61.41	395.39	8.15	-53.26
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013523857	0	55	0.0	-76.11	424.87	9.72	-66.39
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013523858	0	59	0.0	-80.56	446.14	8.63	-71.93
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013523859	0	52	0.0	-70.51	395.95	7.77	-62.74
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013523860	0	60	0.0	-72.61	442.82	6.80	-65.81
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013523861	0	55	0.0	-79.09	408.52	9.89	-69.20
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013523862	0	55	0.0	-79.90	405.84	9.66	-70.24
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013523863	0	52	0.0	-70.86	395.85	7.74	-63.12
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013523864	0	52	0.0	-71.08	395.04	7.81	-63.27
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013523865	0	55	0.0	-78.13	427.52	9.30	-68.83
CCC(CNC(=O)NC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300013523866	0	54	0.0	-66.70	407.00	8.33	-58.37
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013523867	0	61	0.0	-85.26	441.44	11.33	-73.93
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013523868	0	63	0.0	-77.46	479.63	10.60	-66.86
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCCCCCCC(=O)[O-]	REAL300013523869	0	60	0.0	-79.05	458.14	9.82	-69.23
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N(C)CCCC(=O)[O-]	REAL300013523870	0	54	0.0	-81.21	411.92	9.86	-71.35
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013523871	0	58	0.0	-79.09	424.59	10.63	-68.46
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N(CCOC)CCC(=O)[O-]	REAL300013523872	0	58	0.0	-55.34	439.81	8.93	-46.41
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013523873	0	61	0.0	-83.21	448.47	11.36	-71.85
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013523874	0	56	0.0	-65.47	416.44	8.34	-57.13
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013523875	0	58	0.0	-59.49	423.63	10.51	-48.98
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013523876	0	56	0.0	-77.00	413.08	7.21	-69.79
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC1=CN(CC(=O)[O-])C=N1	REAL300013523877	0	52	0.0	-72.86	408.11	10.19	-62.67
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013523878	0	53	0.0	-78.20	405.59	7.96	-70.24
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013523879	0	58	0.0	-62.78	430.31	9.71	-53.07
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013523880	0	61	0.0	-76.08	452.21	9.97	-66.11
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013523881	0	58	0.0	-67.84	425.81	10.64	-57.20
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013523882	0	59	0.0	-78.85	442.41	10.06	-68.79
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013523883	0	58	0.0	-73.05	434.74	9.28	-63.77
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013523884	0	58	0.0	-68.42	425.19	9.40	-59.02
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013523885	0	59	0.0	-64.49	432.09	7.58	-56.91
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013523886	0	56	0.0	-59.10	416.89	6.54	-52.56
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1C2CCC1C(C(=O)[O-])C2	REAL300013523887	0	56	0.0	-82.15	412.96	10.17	-71.98
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013523888	0	53	0.0	-71.19	406.67	8.49	-62.70
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013523889	0	52	0.0	-61.41	395.39	8.15	-53.26
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013523890	0	59	0.0	-61.81	432.55	10.47	-51.34
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013523891	0	56	0.0	-78.46	417.17	9.15	-69.31
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013523892	0	59	0.0	-78.87	436.18	8.66	-70.21
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])C1	REAL300013523893	0	52	0.0	-74.15	389.87	8.76	-65.39
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013523894	0	53	0.0	-79.68	409.53	8.77	-70.91
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC1(CC(=O)[O-])CCCCC1	REAL300013523895	0	61	0.0	-72.15	434.67	10.36	-61.79
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC(C)CCC(=O)[O-]	REAL300013523896	0	54	0.0	-64.80	409.51	8.21	-56.59
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C#CC3=CC=CS3)=C2)CC1	REAL300013523937	1	48	0.0	-40.98	406.44	10.34	-30.64
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2N2CCCCCC2)CC1	REAL300013524072	1	57	0.0	-34.89	410.19	8.21	-26.68
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(N3C=CC=N3)C=C2)CC1	REAL300013524154	1	46	0.0	-40.53	365.57	7.34	-33.19
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C(=O)N3CCCC3)C=C2)CC1	REAL300013524244	1	53	0.0	-46.27	402.03	7.09	-39.18
CC(=O)NC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1F	REAL300013524357	1	46	0.0	-39.60	367.84	5.16	-34.44
CC(C)(C)NC(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013524444	1	55	0.0	-40.91	418.53	6.56	-34.35
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300013524526	1	43	0.0	-38.49	353.29	5.91	-32.58
CC(C)CC(=O)NC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013524613	1	55	0.0	-44.00	422.17	7.21	-36.79
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2C(=O)N2CCOCC2)CC1	REAL300013524693	1	54	0.0	-44.69	413.35	5.92	-38.77
COC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1NC(C)=O	REAL300013524823	1	50	0.0	-41.25	391.39	4.44	-36.81
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1Br	REAL300013524908	1	42	0.0	-36.15	346.35	7.32	-28.83
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(Cl)=CC3=CC=CN=C32)CC1	REAL300013525038	1	44	0.0	-38.50	364.38	7.18	-31.32
CC1=NC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2O1	REAL300013525117	1	44	0.0	-43.15	350.54	3.79	-39.36
CC(=O)NC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C	REAL300013525199	1	49	0.0	-48.67	376.74	6.11	-42.56
CC(=O)NC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C	REAL300013525285	1	49	0.0	-44.83	381.90	5.94	-38.89
CC1=NN(CC2=CC=CC=C2)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013525372	1	52	0.0	-41.66	409.40	9.32	-32.34
CCCC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013525456	1	48	0.0	-36.29	366.64	8.58	-27.71
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3NC(=O)CCC3=C2)CC1	REAL300013525534	1	47	0.0	-41.62	367.15	5.31	-36.31
CN(C)C1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013525605	1	47	0.0	-35.33	359.69	5.96	-29.37
CC(C)C(=O)NC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013525702	1	52	0.0	-45.59	403.07	6.51	-39.08
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(NC(=O)C3CC3)=C2)CC1	REAL300013525788	1	50	0.0	-45.48	394.42	6.64	-38.84
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(NC(=O)C3CCCO3)C=C2)CC1	REAL300013525873	1	54	0.0	-44.41	419.51	6.34	-38.07
COCC(=O)NC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013525950	1	50	0.0	-48.10	396.67	5.15	-42.95
CC1=CC=CC(C(=O)N2CCCC2)=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013526035	1	56	0.0	-45.67	423.20	8.36	-37.31
CCNC(=O)COC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013526167	1	53	0.0	-44.98	418.40	5.80	-39.18
CN(C)C(=O)COC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013526249	1	53	0.0	-45.53	414.68	6.95	-38.58
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1S(N)(=O)=O	REAL300013526330	1	47	0.0	-43.00	376.50	1.84	-41.16
CC1=CC(S(N)(=O)=O)=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C	REAL300013526414	1	50	0.0	-45.13	396.44	2.50	-42.63
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=NC(OC3=CC=CC=C3)=C2)CC1	REAL300013526495	1	49	0.0	-42.60	393.89	6.51	-36.09
CC(C)OC1=C(Cl)C=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013526580	1	49	0.0	-36.30	391.56	8.49	-27.81
CCS(=O)(=O)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013526665	1	48	0.0	-44.00	389.03	4.54	-39.46
COC(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1Cl	REAL300013526749	1	45	0.0	-40.87	374.37	7.14	-33.73
CNS(=O)(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013526831	1	47	0.0	-43.82	383.47	2.29	-41.53
CN(C)C1=CC=C(Cl)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013526925	1	47	0.0	-35.67	376.44	6.48	-29.19
COC(=O)CN1C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013527005	1	45	0.0	-45.21	363.89	5.96	-39.25
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN(CC3=CC=NC=C3)C=C2)CC1	REAL300013527086	1	48	0.0	-42.25	385.40	6.99	-35.26
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN(CC3=CC=CC=N3)C=C2)CC1	REAL300013527172	1	48	0.0	-42.04	385.20	6.96	-35.08
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN(CCN3CCOCC3)C=C2)CC1	REAL300013527320	1	55	0.0	-40.15	418.97	4.23	-35.92
N#CCCN1C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013527383	1	43	0.0	-42.83	351.48	6.26	-36.57
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN(CC(=O)N3CCOCC3)C=C2)CC1	REAL300013527461	1	54	0.0	-48.46	418.41	5.00	-43.46
COCCCN1C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013527532	1	49	0.0	-41.20	385.79	5.59	-35.61
CC(=O)N(CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1)C1CC1	REAL300013527612	1	56	0.0	-43.44	426.16	8.63	-34.81
CC1=CN(C2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2F)N=C1	REAL300013527690	1	49	0.0	-46.94	391.48	8.16	-38.78
COC(=O)C1=CC(Cl)=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013527777	1	45	0.0	-44.83	378.68	7.26	-37.57
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OCCC3=CC=CC=C3)N=C2)CC1	REAL300013527859	1	55	0.0	-43.52	437.52	7.57	-35.95
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OCC3CCOCC3)C=C2)CC1	REAL300013528049	1	57	0.0	-38.40	432.57	7.31	-31.09
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1OCC(F)(F)F	REAL300013528157	1	49	0.0	-38.75	397.87	7.55	-31.20
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(F)=CC=C2SCC(F)F)CC1	REAL300013528233	1	46	0.0	-40.58	384.85	8.50	-32.08
CC1CN(C2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2)CCO1	REAL300013528311	1	55	0.0	-37.62	416.31	5.87	-31.75
CCCS(=O)(=O)NC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013528395	1	53	0.0	-43.86	427.29	4.45	-39.41
CCN1N=NN=C1C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013528473	1	50	0.0	-51.63	392.60	6.29	-45.34
CCCN1C=CC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C21	REAL300013528555	1	52	0.0	-43.56	404.31	9.51	-34.05
CC1=CC=C(NC(=O)N2CCC(C(=O)[O-])CC2)C(OCC[NH+](C)C)=C1	REAL300013528599	0	52	0.0	-75.24	394.68	9.36	-65.88
CC1=CC=C(NC(=O)NC2=CC=CC(CC(=O)[O-])=C2)C(OCC[NH+](C)C)=C1	REAL300013528600	0	52	0.0	-78.61	413.95	9.55	-69.06
CC1=CC=C(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(OCC[NH+](C)C)=C1	REAL300013528601	0	52	0.0	-76.76	417.47	8.95	-67.81
CC1=CC=C(NC(=O)NC(C)(C)CCC(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528602	0	54	0.0	-70.61	406.91	7.75	-62.86
CC1=CC=C(NC(=O)N2CCOC(C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528603	0	50	0.0	-80.20	386.55	7.75	-72.45
CC1=CC=C(NC(=O)N(C)CCC(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528604	0	48	0.0	-81.05	376.45	8.38	-72.67
CC1=CC=C(NC(=O)NC2CCC(C(=O)[O-])CC2)C(OCC[NH+](C)C)=C1	REAL300013528605	0	55	0.0	-81.49	420.27	8.58	-72.91
CC1=CC=C(NC(=O)NCCCCC(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528606	0	51	0.0	-79.78	401.87	7.59	-72.19
CC1=CC=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(OCC[NH+](C)C)=C1	REAL300013528607	0	52	0.0	-80.12	417.48	8.94	-71.18
CC1=CC=C(NC(=O)NCCC(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528608	0	45	0.0	-76.55	358.87	6.01	-70.54
CC1=CC=C(NC(=O)NCCCCCC(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528609	0	54	0.0	-77.26	423.68	8.35	-68.91
CC1=CC=C(NC(=O)NCC(C)(O)C(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528610	0	49	0.0	-74.51	387.28	4.29	-70.22
CC1=CC=C(NC(=O)NCC(C)(C)C(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528611	0	51	0.0	-80.29	394.31	7.47	-72.82
CC1=CC=C(NC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C(OCC[NH+](C)C)=C1	REAL300013528612	0	55	0.0	-81.99	434.98	10.34	-71.65
CC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528613	0	52	0.0	-78.33	400.70	8.84	-69.49
CC1=CC=C(NC(=O)N(C)CC(C)C(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528614	0	51	0.0	-76.37	388.93	8.65	-67.72
CC1=CC=C(NC(=O)N2CC(C)CC(C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528615	0	55	0.0	-60.48	415.47	9.86	-50.62
CC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C(OCC[NH+](C)C)=C1	REAL300013528616	0	55	0.0	-68.99	406.99	9.52	-59.47
CC1=CC=C(NC(=O)NCCCC(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528617	0	48	0.0	-72.31	380.37	6.81	-65.50
CC1=CC=C(NC(=O)N2CCC(C)C(C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528618	0	55	0.0	-83.36	414.23	9.78	-73.58
CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOCC2)C(OCC[NH+](C)C)=C1	REAL300013528619	0	56	0.0	-66.40	418.01	7.00	-59.40
CC1=CC=C(NC(=O)NCCC(C)(C)C(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528620	0	54	0.0	-72.96	413.07	7.68	-65.28
CCC(CC)(CNC(=O)NC1=CC=C(C)C=C1OCC[NH+](C)C)C(=O)[O-]	REAL300013528621	0	57	0.0	-68.06	426.28	8.47	-59.59
CC1=CC=C(NC(=O)NC2(CC(=O)[O-])CCC2)C(OCC[NH+](C)C)=C1	REAL300013528622	0	52	0.0	-73.29	399.08	8.32	-64.97
CC1=CC=C(NC(=O)NCC(C)C(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528623	0	48	0.0	-78.34	377.42	6.77	-71.57
CC1=CC=C(NC(=O)NCC(C(=O)[O-])C(C)C)C(OCC[NH+](C)C)=C1	REAL300013528624	0	54	0.0	-68.90	416.47	7.94	-60.96
CC1=CC=C(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(OCC[NH+](C)C)=C1	REAL300013528625	0	61	0.0	-77.19	452.66	9.35	-67.84
CC1=CC=C(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(OCC[NH+](C)C)=C1	REAL300013528626	0	58	0.0	-65.52	449.24	10.13	-55.39
CC1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528627	0	52	0.0	-70.95	401.26	8.07	-62.88
CC1=CC=C(NC(=O)N2CCC(CCC(=O)[O-])CC2)C(OCC[NH+](C)C)=C1	REAL300013528628	0	58	0.0	-76.03	433.99	10.75	-65.28
CC1=CC=C(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528629	0	54	0.0	-74.14	411.37	7.45	-66.69
CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCC2)C(OCC[NH+](C)C)=C1	REAL300013528630	0	55	0.0	-63.84	419.00	8.87	-54.97
CC1=CC=C(NC(=O)N2CCC(C(=O)[O-])C(C)C2)C(OCC[NH+](C)C)=C1	REAL300013528631	0	55	0.0	-67.85	406.81	10.02	-57.83
CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCC2)C(OCC[NH+](C)C)=C1	REAL300013528632	0	52	0.0	-66.30	400.36	8.15	-58.15
CC1=CC=C(NC(=O)NCC(CC(=O)[O-])C2CC2)C(OCC[NH+](C)C)=C1	REAL300013528633	0	55	0.0	-75.69	425.37	8.89	-66.80
CC1=CC=C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C(OCC[NH+](C)C)=C1	REAL300013528634	0	55	0.0	-68.99	406.99	9.52	-59.47
CC1=CC=C(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(OCC[NH+](C)C)=C1	REAL300013528635	0	60	0.0	-68.28	445.35	9.23	-59.05
CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C(OCC[NH+](C)C)=C1	REAL300013528636	0	49	0.0	-63.65	385.29	7.75	-55.90
CC1=CC=C(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528637	0	52	0.0	-77.56	411.25	9.02	-68.54
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(C)C=C2OCC[NH+](C)C)C1	REAL300013528638	0	56	0.0	-73.39	431.52	7.99	-65.40
CC1=CC=C(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528639	0	49	0.0	-70.07	384.84	7.40	-62.67
CC1=CC=C(NC(=O)NC2CCN(CC(=O)[O-])CC2)C(OCC[NH+](C)C)=C1	REAL300013528640	0	57	0.0	-75.85	433.24	6.46	-69.39
CC1=CC=C(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528641	0	52	0.0	-55.02	394.29	9.30	-45.72
CC1=CC=C(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528642	0	52	0.0	-81.84	395.90	9.30	-72.54
CC1=CC=C(NC(=O)NC2CC(C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528643	0	49	0.0	-73.01	385.12	7.36	-65.65
CC1=CC=C(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528644	0	49	0.0	-71.97	385.84	7.41	-64.56
CC1=CC=C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(OCC[NH+](C)C)=C1	REAL300013528645	0	52	0.0	-80.12	417.48	8.94	-71.18
CCC(CNC(=O)NC1=CC=C(C)C=C1OCC[NH+](C)C)C(=O)[O-]	REAL300013528646	0	51	0.0	-66.41	394.36	7.58	-58.83
CC1=CC=C(NC(=O)N2CCCCC2CCC(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528647	0	58	0.0	-88.82	428.52	10.65	-78.17
CC1=CC=C(NC(=O)NCCCCCCCC(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528648	0	60	0.0	-79.80	466.68	9.92	-69.88
CC1=CC=C(NC(=O)NCCCCCCC(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528649	0	57	0.0	-81.48	445.18	9.14	-72.34
CC1=CC=C(NC(=O)N(C)CCCC(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528650	0	51	0.0	-83.06	398.26	9.19	-73.87
CC1=CC=C(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528651	0	55	0.0	-81.75	409.75	10.01	-71.74
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=C(C)C=C2OCC[NH+](C)C)C1	REAL300013528652	0	59	0.0	-85.50	441.76	9.17	-76.33
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(C)C=C1OCC[NH+](C)C	REAL300013528653	0	55	0.0	-50.66	429.64	8.53	-42.13
CC1=CC=C(NC(=O)N2CCCC(CCC(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528654	0	58	0.0	-85.08	435.64	10.71	-74.37
CC1=CC=C(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528655	0	56	0.0	-77.91	427.68	11.70	-66.21
CC1=CC=C(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C(OCC[NH+](C)C)=C1	REAL300013528656	0	53	0.0	-66.75	404.86	7.76	-58.99
CC1=CC=C(NC(=O)N2CC(C(=O)[O-])CCC2C)C(OCC[NH+](C)C)=C1	REAL300013528657	0	55	0.0	-54.95	409.41	9.87	-45.08
CC1=CC=C(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528658	0	53	0.0	-77.29	403.77	6.85	-70.44
CC1=CC=C(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C(OCC[NH+](C)C)=C1	REAL300013528659	0	56	0.0	-75.03	441.14	10.13	-64.90
CC1=CC=C(NC(=O)NC2=CN(CC(=O)[O-])C=N2)C(OCC[NH+](C)C)=C1	REAL300013528660	0	49	0.0	-73.48	394.35	9.53	-63.95
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(C)C=C2OCC[NH+](C)C)CC1	REAL300013528661	0	59	0.0	-79.96	439.14	9.39	-70.57
CC1=CC=C(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C(OCC[NH+](C)C)=C1	REAL300013528662	0	50	0.0	-80.92	394.77	7.60	-73.32
CC1=CC=C(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C(OCC[NH+](C)C)=C1	REAL300013528663	0	61	0.0	-83.40	440.71	9.61	-73.79
CC1=CC=C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(OCC[NH+](C)C)=C1	REAL300013528664	0	55	0.0	-70.97	414.51	8.98	-61.99
CC1=CC=C(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C(OCC[NH+](C)C)=C1	REAL300013528665	0	58	0.0	-76.82	439.35	9.30	-67.52
CC1=CC=C(NC(=O)N2CCC(CC(=O)[O-])CC2)C(OCC[NH+](C)C)=C1	REAL300013528666	0	55	0.0	-66.78	411.67	9.97	-56.81
CC1=CC=C(NC(=O)N2CCC(OCC(=O)[O-])CC2)C(OCC[NH+](C)C)=C1	REAL300013528667	0	56	0.0	-78.09	428.27	9.39	-68.70
CC1=CC=C(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528668	0	55	0.0	-74.06	420.94	8.59	-65.47
CC1=CC=C(NC(=O)NC2CCCC(C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528669	0	55	0.0	-70.31	415.15	9.03	-61.28
CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCCOC2)C(OCC[NH+](C)C)=C1	REAL300013528670	0	56	0.0	-66.40	422.04	7.20	-59.20
CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CCOC2)C(OCC[NH+](C)C)=C1	REAL300013528671	0	53	0.0	-60.73	407.02	6.13	-54.60
CC1=CC=C(NC(=O)N2C3CCC2C(C(=O)[O-])C3)C(OCC[NH+](C)C)=C1	REAL300013528672	0	53	0.0	-77.78	403.67	9.78	-68.00
CC1=CC=C(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(OCC[NH+](C)C)=C1	REAL300013528673	0	50	0.0	-73.13	396.49	8.09	-65.04
CC1=CC=C(NC(=O)NCC2(C(=O)[O-])CC2)C(OCC[NH+](C)C)=C1	REAL300013528674	0	49	0.0	-63.65	385.29	7.75	-55.90
CC1=CC=C(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C(OCC[NH+](C)C)=C1	REAL300013528675	0	56	0.0	-63.31	423.02	10.06	-53.25
CC1=CC=C(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528676	0	53	0.0	-80.89	402.20	8.56	-72.33
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(C)C=C2OCC[NH+](C)C)C1	REAL300013528677	0	56	0.0	-80.90	426.19	8.27	-72.63
CC1=CC=C(NC(=O)N2CCC(C(=O)[O-])C2)C(OCC[NH+](C)C)=C1	REAL300013528678	0	49	0.0	-75.40	381.31	8.36	-67.04
CC1=CC=C(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(OCC[NH+](C)C)=C1	REAL300013528679	0	50	0.0	-78.57	395.77	8.10	-70.47
CC1=CC=C(NC(=O)NC2(CC(=O)[O-])CCCCC2)C(OCC[NH+](C)C)=C1	REAL300013528680	0	58	0.0	-75.74	424.01	10.10	-65.64
CC1=CC=C(NC(=O)NC(C)CCC(=O)[O-])C(OCC[NH+](C)C)=C1	REAL300013528681	0	51	0.0	-71.28	400.13	7.81	-63.47
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1OC1CCOCC1	REAL300013528762	1	57	0.0	-38.53	429.76	7.29	-31.24
CCOC(=O)CC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013528839	1	51	0.0	-40.64	405.70	8.49	-32.15
CC1CCN(C2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)CC1	REAL300013528936	1	57	0.0	-37.45	420.64	8.00	-29.45
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OC3CCOC3)C=C2)CC1	REAL300013529127	1	51	0.0	-39.96	392.72	5.72	-34.24
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1OCCC(C)C	REAL300013529214	1	58	0.0	-37.19	438.86	9.21	-27.98
CN1C=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1=O	REAL300013529348	1	42	0.0	-47.76	333.05	6.08	-41.68
CS(=O)(=O)NC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013529476	1	47	0.0	-45.94	380.76	2.86	-43.08
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(CC3=CC=CC=C3)N=C2)CC1	REAL300013529613	1	49	0.0	-46.51	390.71	7.76	-38.75
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(C3=CC=CC=N3)N=C2)CC1	REAL300013529728	1	45	0.0	-40.94	362.41	6.64	-34.30
CC1=CC=C(N2N=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2C(C)C)C=C1	REAL300013529879	1	58	0.0	-40.64	437.81	9.93	-30.71
CCC(C)N1N=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C	REAL300013529946	1	51	0.0	-40.30	388.09	6.61	-33.69
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CC1CC(C(=O)[O-])CN(C(=O)NC2=NN(CC[NH+](C)C)C=C2)C1	REAL300013539219	0	48	0.0	-71.00	368.77	8.28	-62.72
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013539220	0	48	0.0	-79.83	360.40	7.93	-71.90
CC1CCN(C(=O)NC2=NN(CC[NH+](C)C)C=C2)CC1C(=O)[O-]	REAL300013539221	0	48	0.0	-70.59	363.18	8.13	-62.46
C[NH+](C)CCN1C=CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300013539222	0	49	0.0	-73.39	373.33	5.42	-67.97
C[NH+](C)CCN1C=CC(NC(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300013539223	0	47	0.0	-78.03	365.96	6.13	-71.90
CCC(CC)(CNC(=O)NC1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013539224	0	50	0.0	-72.85	374.14	7.10	-65.75
C[NH+](C)CCN1C=CC(NC(=O)NC2(CC(=O)[O-])CCC2)=N1	REAL300013539225	0	45	0.0	-73.64	353.20	6.68	-66.96
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300013539226	0	56	0.0	-77.33	427.29	8.54	-68.79
CC(C)C(CNC(=O)NC1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013539227	0	47	0.0	-72.76	362.77	6.55	-66.21
CC(NC(=O)NC1=NN(CC[NH+](C)C)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013539228	0	54	0.0	-84.14	406.08	7.80	-76.34
C[NH+](C)CCN1C=CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300013539229	0	51	0.0	-72.51	396.75	8.81	-63.70
C[NH+](C)CCN1C=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300013539230	0	45	0.0	-77.60	355.30	6.47	-71.13
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(CCC(=O)[O-])CC2)=N1	REAL300013539231	0	51	0.0	-79.95	387.79	9.17	-70.78
C[NH+](C)CCN1C=CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N1	REAL300013539232	0	47	0.0	-77.28	364.54	6.01	-71.27
C[NH+](C)CCN1C=CC(NC(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300013539233	0	48	0.0	-73.87	371.71	7.31	-66.56
CC1CN(C(=O)NC2=NN(CC[NH+](C)C)C=C2)CCC1C(=O)[O-]	REAL300013539234	0	48	0.0	-78.17	360.35	8.44	-69.73
C[NH+](C)CCN1C=CC(NC(=O)NCC2(C(=O)[O-])CCC2)=N1	REAL300013539235	0	45	0.0	-72.29	353.73	6.61	-65.68
C[NH+](C)CCN1C=CC(NC(=O)NCC(CC(=O)[O-])C2CC2)=N1	REAL300013539236	0	48	0.0	-80.81	378.75	7.23	-73.58
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300013539237	0	48	0.0	-79.83	360.40	7.93	-71.90
CC(C)C[C@H](CNC(=O)NC1=NN(CC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013539238	0	53	0.0	-79.58	399.76	7.64	-71.94
C[NH+](C)CCN1C=CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])=N1	REAL300013539239	0	45	0.0	-78.80	364.62	7.47	-71.33
COCC1(C(=O)[O-])CCN(C(=O)NC2=NN(CC[NH+](C)C)C=C2)C1	REAL300013539240	0	49	0.0	-83.78	384.98	6.40	-77.38
C[NH+](C)CCN1C=CC(NC(=O)NC2CCN(CC(=O)[O-])CC2)=N1	REAL300013539241	0	50	0.0	-78.88	386.75	4.87	-74.01
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC3=NN(CC[NH+](C)C)C=C3)C2)C=N1	REAL300013539242	0	55	0.0	-85.14	430.44	8.99	-76.15
C[NH+](C)CCN1C=CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013539243	0	45	0.0	-82.33	347.25	7.67	-74.66
C[NH+](C)CCN1C=CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300013539244	0	45	0.0	-82.62	348.43	7.75	-74.87
C[NH+](C)CCN1C=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300013539245	0	45	0.0	-82.60	371.01	7.34	-75.26
COC(=O)C1CC2(C1)CN(C(=O)NC1=NN(CC[NH+](C)C)C=C1)CC2C(=O)[O-]	REAL300013539246	0	55	0.0	-76.43	430.99	9.21	-67.22
C[NH+](C)CCN1C=CC(NC(=O)N2CCCCC2CCC(=O)[O-])=N1	REAL300013539247	0	51	0.0	-85.95	381.11	9.07	-76.88
C[NH+](C)CCN1C=CC(NC(=O)NCCCCCCCC(=O)[O-])=N1	REAL300013539248	0	53	0.0	-82.17	419.25	8.37	-73.80
C[NH+](C)CCN1C=CC(NC(=O)NCCCCCCC(=O)[O-])=N1	REAL300013539249	0	50	0.0	-82.66	397.75	7.59	-75.07
C[NH+](C)CCN1C=CC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300013539250	0	48	0.0	-82.87	363.06	8.46	-74.41
COCC1(C(=O)[O-])CCCN(C(=O)NC2=NN(CC[NH+](C)C)C=C2)C1	REAL300013539251	0	52	0.0	-87.04	395.07	7.61	-79.43
COCCN(CCC(=O)[O-])C(=O)NC1=NN(CC[NH+](C)C)C=C1	REAL300013539252	0	48	0.0	-70.66	382.57	6.97	-63.69
C[NH+](C)CCN1C=CC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300013539253	0	54	0.0	-84.71	419.29	9.50	-75.21
C[NH+](C)CCN1C=CC(NC(=O)N2CCCC(CCC(=O)[O-])C2)=N1	REAL300013539254	0	51	0.0	-82.76	388.09	9.14	-73.62
C[NH+](C)CCN1C=CC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300013539255	0	49	0.0	-87.01	380.36	10.36	-76.65
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2=NN(CC[NH+](C)C)C=C2)CCO1	REAL300013539256	0	56	0.0	-81.28	437.51	7.36	-73.92
C[NH+](C)CCN1C=CC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300013539257	0	46	0.0	-74.50	360.28	6.49	-68.01
CC1CCC(C(=O)[O-])CN1C(=O)NC1=NN(CC[NH+](C)C)C=C1	REAL300013539258	0	48	0.0	-70.70	363.17	8.27	-62.43
C[NH+](C)CCN1C=CC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300013539259	0	52	0.0	-77.18	410.11	10.32	-66.86
C[NH+](C)CCN1C=CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)=N1	REAL300013539260	0	46	0.0	-80.48	357.33	5.25	-75.23
C[NH+](C)CCN1C=CC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300013539261	0	49	0.0	-80.41	393.69	8.58	-71.83
C[NH+](C)CCN1C=CC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300013539262	0	52	0.0	-93.57	399.31	7.57	-86.00
C[NH+](C)CCN1C=CC(NC(=O)NC2=CN(CC(=O)[O-])C=N2)=N1	REAL300013539263	0	42	0.0	-77.95	347.71	7.98	-69.97
COCC1(C(=O)[O-])CCN(C(=O)NC2=NN(CC[NH+](C)C)C=C2)CC1	REAL300013539264	0	52	0.0	-80.91	391.33	7.87	-73.04
C[NH+](C)CCN1C=CC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)=N1	REAL300013539265	0	43	0.0	-82.28	348.46	6.05	-76.23
C[NH+](C)CCN1C=CC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)=N1	REAL300013539266	0	54	0.0	-79.07	394.66	8.01	-71.06
C[NH+](C)CCN1C=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300013539267	0	48	0.0	-76.91	369.22	7.46	-69.45
C[NH+](C)CCN1C=CC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300013539268	0	51	0.0	-81.70	392.07	7.74	-73.96
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(CC(=O)[O-])CC2)=N1	REAL300013539269	0	48	0.0	-75.10	365.47	8.39	-66.71
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(OCC(=O)[O-])CC2)=N1	REAL300013539270	0	49	0.0	-81.55	382.08	7.81	-73.74
C[NH+](C)CCN1C=CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300013539271	0	48	0.0	-77.85	373.11	7.01	-70.84
C[NH+](C)CCN1C=CC(NC(=O)NC2CCCC(C(=O)[O-])C2)=N1	REAL300013539272	0	48	0.0	-76.23	368.69	7.45	-68.78
C[NH+](C)CCN1C=CC(NC(=O)NCC2(C(=O)[O-])CCCOC2)=N1	REAL300013539273	0	49	0.0	-72.20	375.58	5.63	-66.57
C[NH+](C)CCN1C=CC(NC(=O)NCC2(C(=O)[O-])CCOC2)=N1	REAL300013539274	0	46	0.0	-73.84	360.39	4.59	-69.25
C[NH+](C)CCN1C=CC(NC(=O)N2C3CCC2C(C(=O)[O-])C3)=N1	REAL300013539275	0	46	0.0	-78.57	352.28	8.14	-70.43
C[NH+](C)CCN1C=CC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300013539276	0	57	0.0	-81.86	445.64	9.74	-72.12
C[NH+](C)CCN1C=CC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013539277	0	43	0.0	-78.41	350.17	6.54	-71.87
C[NH+](C)CCN1C=CC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N1	REAL300013539278	0	49	0.0	-73.57	375.50	8.52	-65.05
C[NH+](C)CCN1C=CC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300013539279	0	45	0.0	-75.03	367.20	7.57	-67.46
C[NH+](C)CCN1C=CC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300013539280	0	46	0.0	-83.09	355.65	6.96	-76.13
COC1CC(C(=O)[O-])CN(C(=O)NC2=NN(CC[NH+](C)C)C=C2)C1	REAL300013539281	0	49	0.0	-71.21	380.57	6.73	-64.48
C[NH+](C)CCN1C=CC(NC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300013539282	0	49	0.0	-82.64	400.62	9.48	-73.16
C[NH+](C)CCN1C=CC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300013539283	0	43	0.0	-82.56	349.13	6.55	-76.01
C[NH+](C)CCN1C=CC(NC(=O)NC2(CC(=O)[O-])CCCCC2)=N1	REAL300013539284	0	51	0.0	-73.42	377.41	8.43	-64.99
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NOC(C3=CC=CC=C3)=C2)CC1	REAL300013539324	1	45	0.0	-38.41	361.37	8.28	-30.13
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(C3=NC=CC=N3)N=C2)CC1	REAL300013539412	1	44	0.0	-45.16	357.98	7.05	-38.11
CS(=O)(=O)CCN1C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013539500	1	48	0.0	-47.73	394.26	3.29	-44.44
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OC3=CC=CC=C3F)N=C2)CC1	REAL300013539715	1	49	0.0	-47.09	401.04	6.45	-40.64
CC1=C(C2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=NO2)C=CO1	REAL300013539790	1	45	0.0	-39.42	365.85	7.19	-32.23
CN(C)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=NC=N1	REAL300013539861	1	45	0.0	-41.57	352.68	7.24	-34.33
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C3CCC3)C=C2)CC1	REAL300013539934	1	49	0.0	-36.51	372.68	8.67	-27.84
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013540017	1	52	0.0	-44.86	397.21	5.75	-39.11
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=CC=C1N1CCNC1=O	REAL300013540100	1	52	0.0	-48.74	401.40	6.36	-42.38
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1N1CCNC1=O	REAL300013540183	1	52	0.0	-46.61	405.76	6.03	-40.58
CCNC(=O)NC1=CC=C(C)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013540266	1	54	0.0	-42.64	417.93	5.41	-37.23
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(F)=CC(Br)=C2F)CC1	REAL300013540378	1	39	0.0	-39.62	338.62	6.91	-32.71
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C3=CC=CO3)C=C2F)CC1	REAL300013540453	1	46	0.0	-37.60	372.02	7.95	-29.65
CN1N=C(C2=CC=C(Cl)S2)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013540536	1	46	0.0	-41.48	396.32	8.10	-33.38
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3OCCC(=O)C3=C2)CC1	REAL300013540609	1	46	0.0	-43.27	363.33	5.87	-37.40
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(F)=C(OC(F)F)C=C2F)CC1	REAL300013540697	1	43	0.0	-38.62	357.76	5.91	-32.71
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(C(=O)[O-])CC3)=N2)CC1	REAL300013540739	0	49	0.0	-82.85	369.43	8.68	-74.17
C[NH+]1CCC(N2C=CC(NC(=O)NC3=CC=CC(CC(=O)[O-])=C3)=N2)CC1	REAL300013540740	0	49	0.0	-81.72	388.07	8.92	-72.80
C[NH+]1CCC(N2C=CC(NC(=O)NCC3=CC=C(C(=O)[O-])C=C3)=N2)CC1	REAL300013540741	0	49	0.0	-86.20	391.99	8.26	-77.94
C[NH+]1CCC(N2C=CC(NC(=O)NC(C)(C)CCC(=O)[O-])=N2)CC1	REAL300013540742	0	51	0.0	-78.83	380.76	7.09	-71.74
C[NH+]1CCC(N2C=CC(NC(=O)N3CCOC(C(=O)[O-])C3)=N2)CC1	REAL300013540743	0	47	0.0	-85.04	361.09	7.06	-77.98
CN(CCC(=O)[O-])C(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1	REAL300013540744	0	45	0.0	-83.06	350.35	7.71	-75.35
C[NH+]1CCC(N2C=CC(NC(=O)NC3CCC(C(=O)[O-])CC3)=N2)CC1	REAL300013540745	0	52	0.0	-85.44	394.61	7.93	-77.51
C[NH+]1CCC(N2C=CC(NC(=O)NCCCCC(=O)[O-])=N2)CC1	REAL300013540746	0	48	0.0	-83.93	375.72	6.94	-76.99
C[NH+]1CCC(N2C=CC(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)=N2)CC1	REAL300013540747	0	49	0.0	-86.89	391.99	8.25	-78.64
C[NH+]1CCC(N2C=CC(NC(=O)NCCCCCC(=O)[O-])=N2)CC1	REAL300013540748	0	51	0.0	-83.46	397.22	7.72	-75.74
C[NH+]1CCC(N2C=CC(NC(=O)NCC(C)(O)C(=O)[O-])=N2)CC1	REAL300013540749	0	46	0.0	-79.75	361.23	3.71	-76.04
C[NH+]1CCC(N2C=CC(NC(=O)NCC(C)(C)C(=O)[O-])=N2)CC1	REAL300013540750	0	48	0.0	-83.45	368.16	6.82	-76.63
C[NH+]1CCC(N2C=CC(NC(=O)NC3=CC=CC(CCC(=O)[O-])=C3)=N2)CC1	REAL300013540751	0	52	0.0	-82.49	409.46	9.73	-72.76
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(C)(C(=O)[O-])C3)=N2)CC1	REAL300013540752	0	49	0.0	-81.02	372.29	8.24	-72.78
CC(CN(C)C(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013540753	0	48	0.0	-81.58	364.43	8.02	-73.56
CC1CC(C(=O)[O-])CN(C(=O)NC2=NN(C3CC[NH+](C)CC3)C=C2)C1	REAL300013540754	0	52	0.0	-76.67	384.43	9.43	-67.24
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)CC1	REAL300013540755	0	52	0.0	-83.90	381.38	8.84	-75.06
C[NH+]1CCC(N2C=CC(NC(=O)NCCCC(=O)[O-])=N2)CC1	REAL300013540756	0	45	0.0	-80.30	354.22	6.16	-74.14
CC1CCN(C(=O)NC2=NN(C3CC[NH+](C)CC3)C=C2)CC1C(=O)[O-]	REAL300013540757	0	52	0.0	-85.85	379.24	8.83	-77.02
C[NH+]1CCC(N2C=CC(NC(=O)NCC3(C(=O)[O-])CCOCC3)=N2)CC1	REAL300013540758	0	53	0.0	-76.94	395.30	6.14	-70.80
C[NH+]1CCC(N2C=CC(NC(=O)NCCC(C)(C)C(=O)[O-])=N2)CC1	REAL300013540759	0	51	0.0	-81.28	387.51	7.04	-74.24
CCC(CC)(CNC(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013540760	0	54	0.0	-79.23	399.81	7.84	-71.39
C[NH+]1CCC(N2C=CC(NC(=O)NC3(CC(=O)[O-])CCC3)=N2)CC1	REAL300013540761	0	49	0.0	-79.33	374.18	7.59	-71.74
CC(CNC(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013540762	0	45	0.0	-82.54	352.08	6.15	-76.39
CC(C)C(CNC(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013540763	0	51	0.0	-79.58	390.01	7.31	-72.27
CC(NC(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013540764	0	58	0.0	-86.55	427.09	8.70	-77.85
C[NH+]1CCC(N2C=CC(NC(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)=N2)CC1	REAL300013540765	0	55	0.0	-80.46	423.10	9.48	-70.98
C[NH+]1CCC(N2C=CC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=N2)CC1	REAL300013540766	0	49	0.0	-79.66	375.65	7.41	-72.25
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(CCC(=O)[O-])CC3)=N2)CC1	REAL300013540767	0	55	0.0	-84.11	408.77	10.05	-74.06
C[NH+]1CCC(N2C=CC(NC(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=N2)CC1	REAL300013540768	0	51	0.0	-84.88	386.09	6.81	-78.07
C[NH+]1CCC(N2C=CC(NC(=O)NCC3(C(=O)[O-])CCCC3)=N2)CC1	REAL300013540769	0	52	0.0	-78.90	390.92	7.94	-70.96
CC1CN(C(=O)NC2=NN(C3CC[NH+](C)CC3)C=C2)CCC1C(=O)[O-]	REAL300013540770	0	52	0.0	-81.18	381.33	9.34	-71.84
C[NH+]1CCC(N2C=CC(NC(=O)NCC3(C(=O)[O-])CCC3)=N2)CC1	REAL300013540771	0	49	0.0	-78.03	374.70	7.51	-70.52
C[NH+]1CCC(N2C=CC(NC(=O)NCC(CC(=O)[O-])C3CC3)=N2)CC1	REAL300013540772	0	52	0.0	-83.31	399.73	8.14	-75.17
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(C)(C(=O)[O-])CC3)=N2)CC1	REAL300013540773	0	52	0.0	-83.90	381.38	8.84	-75.06
CC(C)C[C@H](CNC(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1)CC(=O)[O-]	REAL300013540774	0	57	0.0	-81.61	420.40	8.55	-73.06
C[NH+]1CCC(N2C=CC(NC(=O)NCC3(C(=O)[O-])CC3)=N2)CC1	REAL300013540775	0	46	0.0	-76.62	359.51	6.98	-69.64
C[NH+]1CCC(N2C=CC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])=N2)CC1	REAL300013540776	0	49	0.0	-84.53	385.59	8.37	-76.16
COCC1(C(=O)[O-])CCN(C(=O)NC2=NN(C3CC[NH+](C)CC3)C=C2)C1	REAL300013540777	0	53	0.0	-88.46	404.39	7.31	-81.15
C[NH+]1CCC(N2C=CC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=N2)CC1	REAL300013540778	0	46	0.0	-81.09	359.66	6.72	-74.37
C[NH+]1CCC(N2C=CC(NC(=O)NC3CCN(CC(=O)[O-])CC3)=N2)CC1	REAL300013540779	0	54	0.0	-81.83	407.72	5.78	-76.05
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)=N2)CC1	REAL300013540780	0	49	0.0	-76.70	368.28	8.64	-68.06
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC[C@H](C(=O)[O-])C3)=N2)CC1	REAL300013540781	0	49	0.0	-85.14	369.41	8.66	-76.48
C[NH+]1CCC(N2C=CC(NC(=O)NC3CC(C(=O)[O-])C3)=N2)CC1	REAL300013540782	0	46	0.0	-80.99	359.30	6.72	-74.27
C[NH+]1CCC(N2C=CC(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=N2)CC1	REAL300013540783	0	46	0.0	-81.83	359.60	6.77	-75.06
C[NH+]1CCC(N2C=CC(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)=N2)CC1	REAL300013540784	0	49	0.0	-86.89	391.99	8.25	-78.64
CCC(CNC(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013540785	0	48	0.0	-77.32	368.21	6.93	-70.39
C[NH+]1CCC(N2C=CC(NC(=O)N3CCCCC3CCC(=O)[O-])=N2)CC1	REAL300013540786	0	55	0.0	-88.03	402.01	9.97	-78.06
C[NH+]1CCC(N2C=CC(NC(=O)NCCCCCCCC(=O)[O-])=N2)CC1	REAL300013540787	0	57	0.0	-84.96	440.22	9.28	-75.68
C[NH+]1CCC(N2C=CC(NC(=O)NCCCCCCC(=O)[O-])=N2)CC1	REAL300013540788	0	54	0.0	-85.28	418.72	8.50	-76.78
CN(CCCC(=O)[O-])C(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1	REAL300013540789	0	48	0.0	-85.11	371.85	8.52	-76.59
C[NH+]1CCC(N2C=CC(NC(=O)N3CCCC(C)(C(=O)[O-])C3)=N2)CC1	REAL300013540790	0	52	0.0	-85.28	384.03	9.36	-75.92
COCC1(C(=O)[O-])CCCN(C(=O)NC2=NN(C3CC[NH+](C)CC3)C=C2)C1	REAL300013540791	0	56	0.0	-89.16	416.04	8.52	-80.64
COCCN(CCC(=O)[O-])C(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1	REAL300013540792	0	52	0.0	-77.36	403.54	7.87	-69.49
C[NH+]1CCC(N2C=CC(NC(=O)N3CCCC(CCC(=O)[O-])C3)=N2)CC1	REAL300013540793	0	55	0.0	-85.14	409.06	10.03	-75.11
C[NH+]1CCC(N2C=CC(NC(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)=N2)CC1	REAL300013540794	0	53	0.0	-89.30	401.34	11.27	-78.03
C[NH+]1CCC(N2C=CC(NC(=O)N3CCN(C(=O)C(=O)[O-])CC3)=N2)CC1	REAL300013540795	0	50	0.0	-78.10	381.27	7.39	-70.71
CC1CCC(C(=O)[O-])CN1C(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1	REAL300013540796	0	52	0.0	-76.79	384.15	9.17	-67.62
C[NH+]1CCC(N2C=CC(NC(=O)N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)=N2)CC1	REAL300013540797	0	56	0.0	-83.98	431.09	11.23	-72.75
C[NH+]1CCC(N2C=CC(NC(=O)N3CCCC(O)(C(=O)[O-])C3)=N2)CC1	REAL300013540798	0	50	0.0	-83.25	378.36	6.16	-77.09
C[NH+]1CCC(N2C=CC(NC(=O)NC3CC(C(=O)[O-])C4=CC=CC=C43)=N2)CC1	REAL300013540799	0	53	0.0	-81.78	410.23	9.26	-72.52
C[NH+]1CCC(N2C=CC(NC(=O)NC3CCCCN(CC(=O)[O-])C3=O)=N2)CC1	REAL300013540800	0	56	0.0	-95.24	420.30	8.46	-86.78
C[NH+]1CCC(N2C=CC(NC(=O)NC3=CN(CC(=O)[O-])C=N3)=N2)CC1	REAL300013540801	0	46	0.0	-80.28	368.69	8.88	-71.40
COCC1(C(=O)[O-])CCN(C(=O)NC2=NN(C3CC[NH+](C)CC3)C=C2)CC1	REAL300013540802	0	56	0.0	-85.36	412.32	8.78	-76.58
C[NH+]1CCC(N2C=CC(NC(=O)NC34CC(C(=O)[O-])(C3)C4)=N2)CC1	REAL300013540803	0	47	0.0	-84.55	369.44	6.95	-77.60
C[NH+]1CCC(N2C=CC(NC(=O)NCC3(CC(=O)[O-])CCCCC3)=N2)CC1	REAL300013540804	0	58	0.0	-78.94	415.34	8.94	-70.00
C[NH+]1CCC(N2C=CC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=N2)CC1	REAL300013540805	0	52	0.0	-81.10	390.22	8.38	-72.72
C[NH+]1CCC(N2C=CC(NC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)=N2)CC1	REAL300013540806	0	55	0.0	-84.98	413.05	8.63	-76.35
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(CC(=O)[O-])CC3)=N2)CC1	REAL300013540807	0	52	0.0	-82.75	386.46	9.27	-73.48
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(OCC(=O)[O-])CC3)=N2)CC1	REAL300013540808	0	53	0.0	-85.18	403.08	8.69	-76.49
C[NH+]1CCC(N2C=CC(NC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=N2)CC1	REAL300013540809	0	52	0.0	-81.54	394.10	7.93	-73.61
C[NH+]1CCC(N2C=CC(NC(=O)NC3CCCC(C(=O)[O-])C3)=N2)CC1	REAL300013540810	0	52	0.0	-81.87	394.61	7.93	-73.94
C[NH+]1CCC(N2C=CC(NC(=O)NCC3(C(=O)[O-])CCCOC3)=N2)CC1	REAL300013540811	0	53	0.0	-77.42	396.56	6.53	-70.89
C[NH+]1CCC(N2C=CC(NC(=O)NCC3(C(=O)[O-])CCOC3)=N2)CC1	REAL300013540812	0	50	0.0	-78.00	381.37	5.49	-72.51
C[NH+]1CCC(N2C=CC(NC(=O)N3C4CCC3C(C(=O)[O-])C4)=N2)CC1	REAL300013540813	0	50	0.0	-81.41	373.25	9.05	-72.36
C[NH+]1CCC(N2C=CC(NC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)CC1	REAL300013540814	0	47	0.0	-82.85	371.16	7.44	-75.41
C[NH+]1CCC(N2C=CC(NC(=O)NCC3(C(=O)[O-])CC3)=N2)CC1	REAL300013540815	0	46	0.0	-76.62	359.51	6.98	-69.64
C[NH+]1CCC(N2C=CC(NC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)=N2)CC1	REAL300013540816	0	53	0.0	-78.18	396.48	9.42	-68.76
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)=N2)CC1	REAL300013540817	0	49	0.0	-77.74	388.75	8.47	-69.27
C[NH+]1CCC(N2C=CC(NC(=O)N3CCOC(C)(C(=O)[O-])C3)=N2)CC1	REAL300013540818	0	50	0.0	-85.58	376.56	7.85	-77.73
COC1CC(C(=O)[O-])CN(C(=O)NC2=NN(C3CC[NH+](C)CC3)C=C2)C1	REAL300013540819	0	53	0.0	-76.54	401.48	7.58	-68.96
C[NH+]1CCC(N2C=CC(NC(=O)NC3=CC=C4C(=C3)C=CN4CC(=O)[O-])=N2)CC1	REAL300013540820	0	53	0.0	-85.28	421.59	10.38	-74.90
C[NH+]1CCC(N2C=CC(NC(=O)N3CCC(C(=O)[O-])C3)=N2)CC1	REAL300013540821	0	46	0.0	-81.77	355.31	7.70	-74.07
C[NH+]1CCC(N2C=CC(NC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=N2)CC1	REAL300013540822	0	47	0.0	-85.12	370.11	7.45	-77.67
C[NH+]1CCC(N2C=CC(NC(=O)NC3(CC(=O)[O-])CCCCC3)=N2)CC1	REAL300013540823	0	55	0.0	-79.42	398.39	9.34	-70.08
CC(CCC(=O)[O-])NC(=O)NC1=NN(C2CC[NH+](C)CC2)C=C1	REAL300013540824	0	48	0.0	-79.39	373.98	7.15	-72.24
CN1NC=C2C1=NC=CC2=NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013540917	1	44	0.0	-49.44	354.54	3.82	-45.62
CC1(C2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=NO2)CCCC1	REAL300013540999	1	51	0.0	-37.42	386.91	8.44	-28.98
CN1C(=O)CC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C21	REAL300013541168	1	47	0.0	-42.03	369.73	6.55	-35.48
CN1N=C(C2=CC=C(F)C=C2F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013541253	1	49	0.0	-42.36	396.59	8.43	-33.93
CN1N=C(C2CCCO2)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013541326	1	50	0.0	-42.59	385.46	5.73	-36.86
CCNC(=O)NC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C	REAL300013541413	1	54	0.0	-48.56	413.40	5.58	-42.98
CC1=C(Br)C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1F	REAL300013541553	1	42	0.0	-35.34	350.65	7.43	-27.91
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3C=CNC3=C2)CC1	REAL300013541613	1	43	0.0	-44.02	338.24	6.16	-37.86
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1Cl	REAL300013541688	1	43	0.0	-38.86	352.39	5.98	-32.88
CN(CC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013541772	1	57	0.0	-38.34	433.95	11.02	-27.32
CN1C=C(C2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)N=N2)C=N1	REAL300013541864	1	47	0.0	-47.76	380.63	5.91	-41.85
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C3=NOC(C4CC4)=N3)=C2)CC1	REAL300013541948	1	51	0.0	-43.17	411.21	7.01	-36.16
CC1=NC(Cl)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013542009	1	41	0.0	-42.59	336.27	5.61	-36.98
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013542090	1	52	0.0	-44.04	412.05	8.12	-35.92
CC1=C(C2=CC=CC=C2F)ON=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013542173	1	48	0.0	-46.30	390.31	9.16	-37.14
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300013542315	1	46	0.0	-39.99	373.82	6.52	-33.47
CN1N=C(C2CCCOC2)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013542398	1	53	0.0	-41.57	401.86	6.21	-35.36
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2N2CC3CCC2C3)CC1	REAL300013542485	1	55	0.0	-35.29	396.30	7.82	-27.47
COC1CCOC2=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=CC=C21	REAL300013542568	1	51	0.0	-37.53	390.58	5.94	-31.59
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(N3CCC3=O)=C2)CC1	REAL300013542652	1	47	0.0	-43.04	372.25	6.46	-36.58
CCC(C)(C)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013542772	1	54	0.0	-36.38	397.27	8.91	-27.47
CCC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=NN1C	REAL300013542834	1	45	0.0	-39.49	350.61	6.11	-33.38
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3CCCCC(=O)C3=C2)CC1	REAL300013542901	1	51	0.0	-42.66	389.90	8.29	-34.37
COC(=O)CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013542986	1	48	0.0	-44.20	389.60	7.62	-36.58
CC(C)CCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(F)=C1	REAL300013543069	1	55	0.0	-35.76	424.21	8.59	-27.17
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C(C2CC2)C=C1Cl	REAL300013543149	1	50	0.0	-38.45	398.59	8.25	-30.20
CCOC(=O)CC1=C(C)SC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013543228	1	50	0.0	-41.47	410.36	7.28	-34.19
O=C([O-])C1CCN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CC1	REAL300013543267	0	53	0.0	-72.48	410.61	11.08	-61.40
O=C([O-])CC1=CC=CC(NC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)=C1	REAL300013543268	0	53	0.0	-72.71	431.49	11.45	-61.26
O=C([O-])C1=CC=C(CNC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)C=C1	REAL300013543269	0	53	0.0	-81.40	435.08	10.82	-70.58
CC(C)(CCC(=O)[O-])NC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300013543270	0	55	0.0	-69.85	423.39	9.56	-60.29
O=C([O-])C1CN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CCO1	REAL300013543271	0	51	0.0	-75.69	404.40	9.60	-66.09
CN(CCC(=O)[O-])C(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300013543272	0	49	0.0	-82.20	392.66	10.22	-71.98
O=C([O-])C1CCC(NC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CC1	REAL300013543273	0	56	0.0	-74.23	433.29	10.94	-63.29
O=C([O-])CCCCNC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300013543274	0	52	0.0	-74.47	418.35	9.41	-65.06
O=C([O-])C1=CC(CNC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)=CC=C1	REAL300013543275	0	53	0.0	-76.95	434.62	10.72	-66.23
O=C([O-])CCNC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300013543276	0	46	0.0	-71.48	375.36	7.83	-63.65
O=C([O-])CCCCCNC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300013543277	0	55	0.0	-74.69	439.85	10.19	-64.50
CC(O)(CNC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013543278	0	50	0.0	-69.90	403.86	6.18	-63.72
CC(C)(CNC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013543279	0	52	0.0	-73.44	410.21	9.30	-64.14
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)C1	REAL300013543280	0	53	0.0	-87.88	414.55	10.79	-77.09
CC(CN(C)C(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013543281	0	52	0.0	-71.47	406.13	10.48	-60.99
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)C1	REAL300013543282	0	56	0.0	-66.82	426.28	12.02	-54.80
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CC1	REAL300013543283	0	56	0.0	-74.06	424.24	11.41	-62.65
O=C([O-])CCCNC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300013543284	0	49	0.0	-71.13	396.86	8.63	-62.50
CC1CCN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CC1C(=O)[O-]	REAL300013543285	0	56	0.0	-74.18	427.40	11.58	-62.60
CC(C)(CCNC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013543286	0	55	0.0	-72.28	430.14	9.51	-62.77
CCC(CC)(CNC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013543287	0	58	0.0	-70.55	442.44	10.31	-60.24
O=C([O-])CC1(NC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CCC1	REAL300013543288	0	53	0.0	-70.55	417.21	10.26	-60.29
CC(CNC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013543289	0	49	0.0	-72.66	394.72	8.62	-64.04
CC(C)C(CNC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013543290	0	55	0.0	-68.41	427.39	9.88	-58.53
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)C1	REAL300013543291	0	53	0.0	-70.51	418.54	9.94	-60.57
O=C([O-])C1(CNC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CCCC1	REAL300013543292	0	56	0.0	-75.40	436.05	10.74	-64.66
CC1CN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CCC1C(=O)[O-]	REAL300013543293	0	56	0.0	-72.84	424.65	11.89	-60.95
O=C([O-])C1(CNC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CCC1	REAL300013543294	0	53	0.0	-72.77	418.70	9.93	-62.84
O=C([O-])CC(CNC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1)C1CC1	REAL300013543295	0	56	0.0	-73.90	442.86	10.69	-63.21
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CC1	REAL300013543296	0	56	0.0	-74.06	424.24	11.41	-62.65
O=C([O-])C1(CNC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CC1	REAL300013543297	0	50	0.0	-72.14	403.24	9.63	-62.51
O=C([O-])C1=CC=CC=C1CNC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300013543298	0	53	0.0	-82.16	428.70	10.92	-71.24
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)C1	REAL300013543299	0	50	0.0	-71.49	402.45	9.28	-62.21
O=C([O-])[C@@H]1CCCN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)C1	REAL300013543300	0	53	0.0	-83.52	412.45	11.16	-72.36
O=C([O-])[C@H]1CCCN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)C1	REAL300013543301	0	53	0.0	-68.72	412.81	11.17	-57.55
O=C([O-])C1CC(NC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)C1	REAL300013543302	0	50	0.0	-71.93	402.82	9.28	-62.65
O=C([O-])[C@H]1C[C@H](NC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)C1	REAL300013543303	0	50	0.0	-78.73	402.29	9.33	-69.40
O=C([O-])C1=CC(CNC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)=CC=C1	REAL300013543304	0	53	0.0	-76.95	434.62	10.72	-66.23
CCC(CNC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013543305	0	52	0.0	-70.27	415.85	9.29	-60.98
O=C([O-])CCCCCCNC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300013543306	0	58	0.0	-76.22	461.35	10.97	-65.25
CN(CCCC(=O)[O-])C(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300013543307	0	52	0.0	-84.27	414.16	11.03	-73.24
CC1(C(=O)[O-])CCCN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)C1	REAL300013543308	0	56	0.0	-83.67	425.67	11.97	-71.70
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300013543309	0	56	0.0	-68.23	446.11	10.37	-57.86
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300013543310	0	56	0.0	-68.71	428.74	11.75	-56.96
O=C([O-])C1(O)CCCN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)C1	REAL300013543311	0	54	0.0	-81.32	420.26	8.76	-72.56
O=C([O-])CN1C=NC(NC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)=C1	REAL300013543312	0	50	0.0	-70.93	412.06	11.40	-59.53
O=C([O-])C12CC(NC(=O)NC3=CC=C(SCC[NH+]4CCCC4)C=C3)(C1)C2	REAL300013543313	0	51	0.0	-82.81	412.53	9.51	-73.30
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CC1	REAL300013543314	0	56	0.0	-71.50	430.63	10.76	-60.74
O=C([O-])CC1CCN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CC1	REAL300013543315	0	56	0.0	-70.23	429.14	11.78	-58.45
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)C1	REAL300013543316	0	56	0.0	-72.19	437.99	10.47	-61.72
O=C([O-])C1CCCC(NC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)C1	REAL300013543317	0	56	0.0	-71.88	436.72	10.40	-61.48
O=C([O-])C1(CNC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CCOC1	REAL300013543318	0	54	0.0	-71.80	424.73	8.02	-63.78
O=C([O-])C1CC2CCC1N2C(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300013543319	0	54	0.0	-71.73	415.90	11.53	-60.20
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1=CC=C(SCC[NH+]3CCCC3)C=C1)C2	REAL300013543320	0	51	0.0	-78.41	414.26	10.00	-68.41
O=C([O-])C1(CNC(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CC1	REAL300013543321	0	50	0.0	-72.14	403.24	9.63	-62.51
CC1(C(=O)[O-])CN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)CCO1	REAL300013543322	0	54	0.0	-83.73	418.82	10.47	-73.26
O=C([O-])C1CCN(C(=O)NC2=CC=C(SCC[NH+]3CCCC3)C=C2)C1	REAL300013543323	0	50	0.0	-79.36	398.44	10.29	-69.07
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1=CC=C(SCC[NH+]3CCCC3)C=C1)C2	REAL300013543324	0	51	0.0	-81.88	413.21	10.02	-71.86
CC(CCC(=O)[O-])NC(=O)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300013543325	0	52	0.0	-76.19	416.34	9.66	-66.53
CC(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C	REAL300013543359	1	47	0.0	-40.89	364.74	7.27	-33.62
CC1=CC=C(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(F)(F)F)O1	REAL300013543443	1	45	0.0	-37.57	371.81	6.32	-31.25
O=C([O-])C[NH+]1CCC(NC(=O)NC(CC2CCCO2)C(F)(F)F)CC1	REAL300013543528	1	49	0.0	-36.29	383.78	6.18	-30.11
CC(C)N1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013543585	1	45	0.0	-44.83	349.52	5.28	-39.55
CCOC(=O)CN1C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013543649	1	48	0.0	-44.83	385.75	6.88	-37.95
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1Cl	REAL300013543716	1	42	0.0	-37.08	342.32	7.23	-29.85
CC(C)CCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013543796	1	55	0.0	-41.30	425.04	8.51	-32.79
COC(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1Cl	REAL300013543877	1	45	0.0	-42.69	374.21	7.17	-35.52
CC(C)C1=NN(CC2=CC=CC=C2)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013543956	1	58	0.0	-41.31	449.55	10.60	-30.71
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=NN1C1=CC=C(F)C=C1F	REAL300013544027	1	49	0.0	-43.34	397.27	8.01	-35.33
COCC1=CC=NC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013544087	1	45	0.0	-40.72	358.47	5.57	-35.15
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=NN1C1=CC=C(C)C=C1	REAL300013544168	1	52	0.0	-45.93	405.49	8.46	-37.47
CSC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C	REAL300013544245	1	46	0.0	-37.43	365.57	7.72	-29.71
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC3=C(CCCC3)NC2=O)CC1	REAL300013544381	1	49	0.0	-43.47	375.26	6.66	-36.81
CN1CCC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C2C1=O	REAL300013544470	1	50	0.0	-47.78	386.52	6.62	-41.16
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1Cl	REAL300013544537	1	42	0.0	-37.08	342.32	7.23	-29.85
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3C(=O)NC=CC3=C2)CC1	REAL300013544616	1	45	0.0	-47.84	358.20	5.34	-42.50
COCC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C(F)(F)F	REAL300013544701	1	49	0.0	-38.62	392.58	6.86	-31.76
CCCC(C(=O)OCC)N1C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013544886	1	57	0.0	-39.43	444.18	8.80	-30.63
CC1=C(C(C)C)N=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013545041	1	47	0.0	-37.43	374.07	6.94	-30.49
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3C(=O)NCCC3=C2)CC1	REAL300013545122	1	47	0.0	-49.55	366.61	4.54	-45.01
CSC1=C(F)C=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013545207	1	43	0.0	-36.82	354.30	7.44	-29.38
CS(=O)(=O)CCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013545308	1	52	0.0	-48.14	421.89	3.88	-44.26
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(N3C=CC=CC3=O)C=C2F)CC1	REAL300013545380	1	49	0.0	-44.27	396.84	8.42	-35.85
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3COCCC3=C2)CC1	REAL300013545578	1	47	0.0	-42.13	360.87	6.18	-35.95
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3CCCC=CC3=C2)CC1	REAL300013545661	1	50	0.0	-41.13	378.27	9.10	-32.03
CN1CCC2=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=CC=C2C1=O	REAL300013545750	1	50	0.0	-49.18	381.97	6.78	-42.40
CC1=CNC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C12	REAL300013545883	1	46	0.0	-38.67	360.28	6.84	-31.83
CNC(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(OC)=C1	REAL300013545965	1	50	0.0	-41.54	391.61	3.85	-37.69
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(SC3=CC=CC=C3)=C2)CC1	REAL300013546051	1	50	0.0	-37.86	407.90	10.21	-27.65
COC(=O)C(C)(C)N1C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013546128	1	51	0.0	-40.57	401.66	6.86	-33.71
COC(=O)C1=CNC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C12	REAL300013546212	1	49	0.0	-47.29	393.37	6.81	-40.48
CCS(=O)(=O)N(C)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013546293	1	53	0.0	-44.78	417.78	5.13	-39.65
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC3=C2OCC3)CC1	REAL300013546353	1	44	0.0	-36.99	342.41	5.99	-31.00
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3NC(=O)OCC3=C2)CC1	REAL300013546431	1	45	0.0	-43.36	357.99	4.14	-39.22
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(CCF)N=C2)CC1	REAL300013546494	1	42	0.0	-45.00	337.41	4.89	-40.11
COC(=O)C(C)OC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013546561	1	52	0.0	-48.43	417.76	7.75	-40.68
CN1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C2=CC=CO2)=N1	REAL300013546634	1	46	0.0	-40.13	370.44	5.65	-34.48
COC1=C(C)C=C(Cl)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013546720	1	46	0.0	-36.73	375.92	6.93	-29.80
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=NC(OCCO)=C2)CC1	REAL300013546799	1	46	0.0	-40.79	367.19	0.67	-40.12
CCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=C1C	REAL300013546874	1	48	0.0	-41.15	375.12	6.74	-34.41
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC3=C2COCC3)CC1	REAL300013546949	1	47	0.0	-37.96	357.14	6.39	-31.57
COC(=O)C(C)(C)N1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013547213	1	51	0.0	-44.79	401.92	5.88	-38.91
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OC3=CC=CN=N3)C=C2)CC1	REAL300013547299	1	48	0.0	-43.11	388.53	5.20	-37.91
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(F)C(N3CCOCC3)=C2)CC1	REAL300013547415	1	52	0.0	-38.46	400.92	5.25	-33.21
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OC(F)(F)F)C=C2Cl)CC1	REAL300013547495	1	43	0.0	-35.27	367.36	6.57	-28.70
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1OC(F)F	REAL300013547573	1	47	0.0	-41.99	375.37	5.59	-36.40
CN1C=C(C2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)N=N1	REAL300013547656	1	48	0.0	-47.21	383.41	6.25	-40.96
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OC3CC3(F)F)C=C2)CC1	REAL300013547743	1	47	0.0	-41.08	381.26	7.30	-33.78
CCOC(=O)N1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013547828	1	53	0.0	-39.82	405.24	5.56	-34.26
COC1=CC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2C=C1OC	REAL300013547913	1	53	0.0	-41.24	411.91	7.65	-33.59
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC(COC3=CC=CC=C3)=CS2)CC1	REAL300013547988	1	49	0.0	-38.73	401.64	7.59	-31.14
CCCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C	REAL300013548115	1	52	0.0	-37.46	399.79	7.89	-29.57
COCC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1OC	REAL300013548200	1	50	0.0	-39.04	388.87	5.33	-33.71
CCCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013548283	1	49	0.0	-41.39	385.97	7.21	-34.18
CC1CC(=O)N(C)C2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C21	REAL300013548370	1	53	0.0	-46.43	403.90	7.48	-38.95
CCCN(C)C1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013548499	1	53	0.0	-34.92	400.02	7.48	-27.44
CCCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1OC	REAL300013548587	1	53	0.0	-39.75	408.97	7.03	-32.72
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC3=C(C=C2Cl)CCC3)CC1	REAL300013548671	1	46	0.0	-39.75	366.18	8.65	-31.10
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C3CCOCC3)=C2)CC1	REAL300013548757	1	53	0.0	-37.65	399.42	7.51	-30.14
COC(=O)[C@@H]1C[C@H]1C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013548844	1	52	0.0	-41.73	412.15	8.93	-32.80
CC(C)(C)C1=CC2=CC=CN=C2C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013548984	1	56	0.0	-37.56	422.90	9.02	-28.54
NC(=O)C1=CC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C2N1	REAL300013549062	1	47	0.0	-46.16	375.24	2.86	-43.30
CSCCC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013549146	1	49	0.0	-36.51	389.88	9.03	-27.48
COC1=CC(C)=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C	REAL300013549225	1	49	0.0	-37.79	374.71	7.07	-30.72
COC(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=CC=C12	REAL300013549398	1	51	0.0	-42.39	399.56	9.08	-33.31
CC1=CC=C(C2=CC=CC=C2NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013549525	1	49	0.0	-39.81	395.44	9.99	-29.82
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C(=O)[O-])CC3)C=N2)CC1	REAL300013549568	0	49	0.0	-85.92	369.66	7.70	-78.22
C[NH+]1CCC(N2C=C(NC(=O)NC3=CC=CC(CC(=O)[O-])=C3)C=N2)CC1	REAL300013549569	0	49	0.0	-84.69	388.56	7.89	-76.80
C[NH+]1CCC(N2C=C(NC(=O)NCC3=CC=C(C(=O)[O-])C=C3)C=N2)CC1	REAL300013549570	0	49	0.0	-87.63	392.23	7.29	-80.34
C[NH+]1CCC(N2C=C(NC(=O)NC(C)(C)CCC(=O)[O-])C=N2)CC1	REAL300013549571	0	51	0.0	-80.88	380.99	6.11	-74.77
C[NH+]1CCC(N2C=C(NC(=O)N3CCOC(C(=O)[O-])C3)C=N2)CC1	REAL300013549572	0	47	0.0	-91.26	361.26	6.08	-85.18
CN(CCC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013549573	0	45	0.0	-89.24	350.58	6.74	-82.50
C[NH+]1CCC(N2C=C(NC(=O)NC3CCC(C(=O)[O-])CC3)C=N2)CC1	REAL300013549574	0	52	0.0	-80.70	389.10	7.35	-73.35
C[NH+]1CCC(N2C=C(NC(=O)NCCCCC(=O)[O-])C=N2)CC1	REAL300013549575	0	48	0.0	-88.33	375.95	5.96	-82.37
C[NH+]1CCC(N2C=C(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=N2)CC1	REAL300013549576	0	49	0.0	-88.12	392.22	7.27	-80.85
C[NH+]1CCC(N2C=C(NC(=O)NCCCCCC(=O)[O-])C=N2)CC1	REAL300013549577	0	51	0.0	-86.41	397.45	6.74	-79.67
C[NH+]1CCC(N2C=C(NC(=O)NCC(C)(O)C(=O)[O-])C=N2)CC1	REAL300013549578	0	46	0.0	-84.37	361.05	2.68	-81.69
C[NH+]1CCC(N2C=C(NC(=O)NCC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013549579	0	48	0.0	-89.12	367.82	5.85	-83.27
C[NH+]1CCC(N2C=C(NC(=O)NC3=CC=CC(CCC(=O)[O-])=C3)C=N2)CC1	REAL300013549580	0	52	0.0	-85.84	409.96	8.70	-77.14
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C)(C(=O)[O-])C3)C=N2)CC1	REAL300013549581	0	49	0.0	-91.82	372.44	7.28	-84.54
CC(CN(C)C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013549582	0	48	0.0	-87.33	363.79	7.01	-80.32
CC1CC(C(=O)[O-])CN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C1	REAL300013549583	0	52	0.0	-72.52	389.33	8.19	-64.33
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C)(C(=O)[O-])CC3)C=N2)CC1	REAL300013549584	0	52	0.0	-86.51	381.61	7.88	-78.63
C[NH+]1CCC(N2C=C(NC(=O)NCCCC(=O)[O-])C=N2)CC1	REAL300013549585	0	45	0.0	-82.82	354.45	5.18	-77.64
CC1CCN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)CC1C(=O)[O-]	REAL300013549586	0	52	0.0	-91.25	384.38	8.07	-83.18
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CCOCC3)C=N2)CC1	REAL300013549587	0	53	0.0	-78.38	394.55	5.34	-73.04
C[NH+]1CCC(N2C=C(NC(=O)NCCC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013549588	0	51	0.0	-83.47	387.74	6.06	-77.41
CCC(CC)(CNC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013549589	0	54	0.0	-79.17	400.04	6.86	-72.31
C[NH+]1CCC(N2C=C(NC(=O)NC3(CC(=O)[O-])CCC3)C=N2)CC1	REAL300013549590	0	49	0.0	-81.69	374.70	6.48	-75.21
CC(CNC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013549591	0	45	0.0	-87.52	351.50	5.14	-82.38
CC(C)C(CNC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013549592	0	51	0.0	-79.83	390.24	6.33	-73.50
CC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013549593	0	58	0.0	-90.92	426.83	7.72	-83.20
C[NH+]1CCC(N2C=C(NC(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300013549594	0	55	0.0	-80.41	423.32	8.50	-71.91
C[NH+]1CCC(N2C=C(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013549595	0	49	0.0	-80.06	375.91	6.42	-73.64
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(CCC(=O)[O-])CC3)C=N2)CC1	REAL300013549596	0	55	0.0	-85.75	408.97	9.09	-76.66
C[NH+]1CCC(N2C=C(NC(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)C=N2)CC1	REAL300013549597	0	51	0.0	-85.24	385.77	5.94	-79.30
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CCCC3)C=N2)CC1	REAL300013549598	0	52	0.0	-78.66	392.92	7.23	-71.43
CC1CN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)CCC1C(=O)[O-]	REAL300013549599	0	52	0.0	-83.18	381.56	8.36	-74.82
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CCC3)C=N2)CC1	REAL300013549600	0	49	0.0	-76.58	375.85	6.39	-70.19
C[NH+]1CCC(N2C=C(NC(=O)NCC(CC(=O)[O-])C3CC3)C=N2)CC1	REAL300013549601	0	52	0.0	-88.52	399.96	7.16	-81.36
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C)(C(=O)[O-])CC3)C=N2)CC1	REAL300013549602	0	52	0.0	-86.51	381.61	7.88	-78.63
CC(C)C[C@H](CNC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)CC(=O)[O-]	REAL300013549603	0	57	0.0	-86.40	420.97	7.56	-78.84
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CC3)C=N2)CC1	REAL300013549604	0	46	0.0	-75.69	360.10	6.12	-69.57
C[NH+]1CCC(N2C=C(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C=N2)CC1	REAL300013549605	0	49	0.0	-85.73	385.83	7.39	-78.34
COCC1(C(=O)[O-])CCN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C1	REAL300013549606	0	53	0.0	-93.49	403.74	6.86	-86.63
C[NH+]1CCC(N2C=C(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013549607	0	46	0.0	-83.36	359.56	5.74	-77.62
C[NH+]1CCC(N2C=C(NC(=O)NC3CCN(CC(=O)[O-])CC3)C=N2)CC1	REAL300013549608	0	54	0.0	-85.08	407.95	4.80	-80.28
C[NH+]1CCC(N2C=C(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013549609	0	49	0.0	-72.62	368.52	7.62	-65.00
C[NH+]1CCC(N2C=C(NC(=O)N3CCC[C@H](C(=O)[O-])C3)C=N2)CC1	REAL300013549610	0	49	0.0	-73.81	369.67	7.68	-66.13
C[NH+]1CCC(N2C=C(NC(=O)NC3CC(C(=O)[O-])C3)C=N2)CC1	REAL300013549611	0	46	0.0	-85.09	359.41	5.79	-79.30
C[NH+]1CCC(N2C=C(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=N2)CC1	REAL300013549612	0	46	0.0	-85.08	359.42	5.79	-79.29
C[NH+]1CCC(N2C=C(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=N2)CC1	REAL300013549613	0	49	0.0	-88.12	392.22	7.27	-80.85
CCC(CNC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013549614	0	48	0.0	-79.42	373.47	5.85	-73.57
C[NH+]1CCC(N2C=C(NC(=O)N3CCCCC3CCC(=O)[O-])C=N2)CC1	REAL300013549615	0	55	0.0	-97.86	402.57	9.01	-88.85
C[NH+]1CCC(N2C=C(NC(=O)NCCCCCCCC(=O)[O-])C=N2)CC1	REAL300013549616	0	57	0.0	-88.24	440.45	8.30	-79.94
C[NH+]1CCC(N2C=C(NC(=O)NCCCCCCC(=O)[O-])C=N2)CC1	REAL300013549617	0	54	0.0	-89.45	418.95	7.52	-81.93
CN(CCCC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013549618	0	48	0.0	-90.05	372.08	7.54	-82.51
C[NH+]1CCC(N2C=C(NC(=O)N3CCCC(C)(C(=O)[O-])C3)C=N2)CC1	REAL300013549619	0	52	0.0	-92.10	383.81	8.40	-83.70
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C1	REAL300013549620	0	56	0.0	-95.00	415.33	8.16	-86.84
COCCN(CCC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013549621	0	52	0.0	-71.17	403.76	6.90	-64.27
C[NH+]1CCC(N2C=C(NC(=O)N3CCCC(CCC(=O)[O-])C3)C=N2)CC1	REAL300013549622	0	55	0.0	-91.69	409.34	9.09	-82.60
C[NH+]1CCC(N2C=C(NC(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)C=N2)CC1	REAL300013549623	0	53	0.0	-95.16	402.33	10.08	-85.08
C[NH+]1CCC(N2C=C(NC(=O)N3CCN(C(=O)C(=O)[O-])CC3)C=N2)CC1	REAL300013549624	0	50	0.0	-79.75	381.49	6.41	-73.34
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013549625	0	52	0.0	-72.37	384.38	8.19	-64.18
C[NH+]1CCC(N2C=C(NC(=O)N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)C=N2)CC1	REAL300013549626	0	56	0.0	-81.47	431.45	10.24	-71.23
C[NH+]1CCC(N2C=C(NC(=O)N3CCCC(O)(C(=O)[O-])C3)C=N2)CC1	REAL300013549627	0	50	0.0	-88.84	378.59	5.21	-83.63
C[NH+]1CCC(N2C=C(NC(=O)NC3CC(C(=O)[O-])C4=CC=CC=C43)C=N2)CC1	REAL300013549628	0	53	0.0	-85.82	414.91	8.51	-77.31
C[NH+]1CCC(N2C=C(NC(=O)NC3CCCCN(CC(=O)[O-])C3=O)C=N2)CC1	REAL300013549629	0	56	0.0	-102.81	420.51	7.49	-95.32
C[NH+]1CCC(N2C=C(NC(=O)NC3=CN(CC(=O)[O-])C=N3)C=N2)CC1	REAL300013549630	0	46	0.0	-86.29	368.91	7.90	-78.39
COCC1(C(=O)[O-])CCN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)CC1	REAL300013549631	0	56	0.0	-90.06	413.80	7.05	-83.01
C[NH+]1CCC(N2C=C(NC(=O)NC34CC(C(=O)[O-])(C3)C4)C=N2)CC1	REAL300013549632	0	47	0.0	-90.92	369.66	5.97	-84.95
C[NH+]1CCC(N2C=C(NC(=O)NCC3(CC(=O)[O-])CCCCC3)C=N2)CC1	REAL300013549633	0	58	0.0	-85.32	415.87	7.94	-77.38
C[NH+]1CCC(N2C=C(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=N2)CC1	REAL300013549634	0	52	0.0	-80.62	390.43	7.39	-73.23
C[NH+]1CCC(N2C=C(NC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)C=N2)CC1	REAL300013549635	0	55	0.0	-87.95	414.59	7.70	-80.25
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(CC(=O)[O-])CC3)C=N2)CC1	REAL300013549636	0	52	0.0	-79.42	386.66	8.31	-71.11
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(OCC(=O)[O-])CC3)C=N2)CC1	REAL300013549637	0	53	0.0	-87.62	403.26	7.73	-79.89
C[NH+]1CCC(N2C=C(NC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013549638	0	52	0.0	-83.96	394.34	6.95	-77.01
C[NH+]1CCC(N2C=C(NC(=O)NC3CCCC(C(=O)[O-])C3)C=N2)CC1	REAL300013549639	0	52	0.0	-80.99	390.43	7.38	-73.61
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CCCOC3)C=N2)CC1	REAL300013549640	0	53	0.0	-81.90	399.70	5.81	-76.09
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CCOC3)C=N2)CC1	REAL300013549641	0	50	0.0	-77.80	381.61	4.51	-73.29
C[NH+]1CCC(N2C=C(NC(=O)N3C4CCC3C(C(=O)[O-])C4)C=N2)CC1	REAL300013549642	0	50	0.0	-96.36	377.65	8.13	-88.23
C[NH+]1CCC(N2C=C(NC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=N2)CC1	REAL300013549643	0	47	0.0	-83.53	371.42	6.46	-77.07
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CC3)C=N2)CC1	REAL300013549644	0	46	0.0	-75.69	360.10	6.12	-69.57
C[NH+]1CCC(N2C=C(NC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)C=N2)CC1	REAL300013549645	0	53	0.0	-78.10	397.93	8.48	-69.62
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)C=N2)CC1	REAL300013549646	0	49	0.0	-81.40	388.93	7.49	-73.91
C[NH+]1CCC(N2C=C(NC(=O)N3CCOC(C)(C(=O)[O-])C3)C=N2)CC1	REAL300013549647	0	50	0.0	-91.92	376.81	6.88	-85.04
COC1CC(C(=O)[O-])CN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C1	REAL300013549648	0	53	0.0	-72.82	401.78	6.65	-66.17
C[NH+]1CCC(N2C=C(NC(=O)NC3=CC=C4C(=C3)C=CN4CC(=O)[O-])C=N2)CC1	REAL300013549649	0	53	0.0	-90.96	421.83	9.39	-81.57
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C(=O)[O-])C3)C=N2)CC1	REAL300013549650	0	46	0.0	-86.99	355.58	6.72	-80.27
C[NH+]1CCC(N2C=C(NC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=N2)CC1	REAL300013549651	0	47	0.0	-89.91	370.38	6.47	-83.44
C[NH+]1CCC(N2C=C(NC(=O)NC3(CC(=O)[O-])CCCCC3)C=N2)CC1	REAL300013549652	0	55	0.0	-80.07	398.63	8.36	-71.71
CC(CCC(=O)[O-])NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013549653	0	48	0.0	-80.90	374.21	6.18	-74.72
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC(C3CCCCCC3)=CS2)CC1	REAL300013549693	1	54	0.0	-36.86	405.47	8.43	-28.43
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC(C3CCCCC3)=CS2)CC1	REAL300013549859	1	51	0.0	-36.91	394.34	8.06	-28.85
COC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(F)=C1	REAL300013549926	1	43	0.0	-36.53	341.80	5.56	-30.97
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=NN2C2=CC=C(F)C=C2)CC1	REAL300013550075	1	46	0.0	-40.08	369.04	8.50	-31.58
CC1=CC=C(OC2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)C(C)=C1	REAL300013550159	1	56	0.0	-40.70	437.29	10.37	-30.33
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(F)C(C(F)F)=C2)CC1	REAL300013550235	1	42	0.0	-40.12	343.54	7.01	-33.11
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN(CCF)C=C2)CC1	REAL300013550298	1	42	0.0	-39.30	337.22	5.89	-33.41
NS(=O)(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CS1	REAL300013550370	1	41	0.0	-45.19	353.71	0.05	-45.14
COC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C#N	REAL300013550449	1	44	0.0	-44.28	356.60	5.84	-38.44
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C(=O)C1=CC=CC=C1	REAL300013550617	1	54	0.0	-40.22	426.71	10.09	-30.13
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3NC(=O)CSC3=C2)CC1	REAL300013550694	1	45	0.0	-42.13	366.96	5.13	-37.00
N#CC1=CC=C(CN2C=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=N2)C=C1	REAL300013550779	1	50	0.0	-50.15	411.57	8.15	-42.00
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=NN2CC2CCC2)CC1	REAL300013550867	1	49	0.0	-40.40	375.58	7.79	-32.61
CCCNC(=O)CC1=CSC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013550948	1	51	0.0	-44.08	414.83	4.96	-39.12
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN=CC(C(F)F)=C2)CC1	REAL300013551014	1	41	0.0	-39.40	334.49	5.19	-34.21
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(F)=CC(OC(F)F)=C2)CC1	REAL300013551094	1	43	0.0	-41.34	352.88	5.79	-35.55
CN(C)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013551173	1	47	0.0	-40.20	367.82	5.66	-34.54
CC1=CC=CC(OC2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)=C1	REAL300013551257	1	53	0.0	-40.33	419.14	9.70	-30.63
COCC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1OC	REAL300013551335	1	50	0.0	-37.57	388.60	5.36	-32.21
CN1CCN2N=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2C1	REAL300013551414	1	48	0.0	-39.25	362.16	3.62	-35.63
COC1=CC=C(C2CC2)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013551496	1	50	0.0	-38.43	381.81	7.62	-30.81
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC3=C2OCCCO3)CC1	REAL300013551582	1	48	0.0	-38.27	368.06	6.19	-32.08
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C3CC3)C=C2F)CC1	REAL300013551662	1	46	0.0	-35.49	361.47	8.37	-27.12
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(S(C)(=O)=O)=C1	REAL300013551747	1	48	0.0	-48.63	388.96	4.31	-44.32
N#CC1=CC=CC(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(F)(F)F)=C1	REAL300013551831	1	46	0.0	-42.17	386.02	7.73	-34.44
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(N3CCCCC3)C(F)=C2)CC1	REAL300013551965	1	54	0.0	-37.28	410.36	7.72	-29.56
CCCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C(C)C	REAL300013552048	1	58	0.0	-37.30	438.32	9.16	-28.14
CN1C(=O)COC2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C21	REAL300013552129	1	48	0.0	-40.74	369.92	5.93	-34.81
COC(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1F	REAL300013552235	1	45	0.0	-44.54	366.25	6.80	-37.74
N#CCC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013552304	1	42	0.0	-46.75	345.19	6.94	-39.81
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C(F)C(F)(F)F)C=C2)CC1	REAL300013552385	1	45	0.0	-40.02	371.05	7.91	-32.11
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013552468	1	52	0.0	-42.69	414.10	9.66	-33.03
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN=C(N3CC4CCC(C3)O4)N=C2)CC1	REAL300013552551	1	54	0.0	-45.42	406.95	6.09	-39.33
N#CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C1CC1	REAL300013552625	1	47	0.0	-41.41	375.17	8.41	-33.00
O=C([O-])C1CCN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CC1	REAL300013552670	0	55	0.0	-70.94	399.57	9.06	-61.88
O=C([O-])C1CCN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CC1	REAL300013552670	1	55	0.0	-71.84	399.89	9.04	-62.80
O=C([O-])CC1=CC=CC(NC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)=C1	REAL300013552671	0	55	0.0	-73.25	420.96	9.37	-63.88
O=C([O-])CC1=CC=CC(NC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)=C1	REAL300013552671	1	55	0.0	-70.83	424.98	9.51	-61.32
O=C([O-])C1=CC=C(CNC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)C=C1	REAL300013552672	0	55	0.0	-77.84	424.84	8.71	-69.13
O=C([O-])C1=CC=C(CNC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)C=C1	REAL300013552672	1	55	0.0	-75.10	428.90	8.86	-66.24
CC(C)(CCC(=O)[O-])NC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300013552673	0	57	0.0	-69.24	413.87	7.50	-61.74
CC(C)(CCC(=O)[O-])NC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300013552673	1	57	0.0	-70.03	417.95	7.66	-62.37
O=C([O-])C1CN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CCO1	REAL300013552674	0	53	0.0	-79.25	394.33	7.48	-71.77
O=C([O-])C1CN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CCO1	REAL300013552674	1	53	0.0	-69.34	394.42	7.46	-61.88
CN(CCC(=O)[O-])C(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300013552675	0	51	0.0	-75.36	383.19	8.16	-67.20
CN(CCC(=O)[O-])C(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300013552675	1	51	0.0	-76.42	387.22	8.32	-68.10
O=C([O-])C1CCC(NC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CC1	REAL300013552676	0	58	0.0	-77.26	427.78	8.36	-68.90
O=C([O-])C1CCC(NC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CC1	REAL300013552676	1	58	0.0	-69.61	427.09	8.97	-60.64
O=C([O-])CCCCNC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300013552677	0	54	0.0	-74.28	408.84	7.35	-66.93
O=C([O-])CCCCNC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300013552677	1	54	0.0	-75.90	412.92	7.50	-68.40
O=C([O-])C1=CC(CNC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)=CC=C1	REAL300013552678	0	55	0.0	-78.02	424.89	8.69	-69.33
O=C([O-])C1=CC(CNC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)=CC=C1	REAL300013552678	1	55	0.0	-78.24	429.17	8.81	-69.43
O=C([O-])CCNC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300013552679	0	48	0.0	-72.05	365.85	5.77	-66.28
O=C([O-])CCNC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300013552679	1	48	0.0	-70.36	369.91	5.92	-64.44
O=C([O-])CCCCCNC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300013552680	0	57	0.0	-73.93	430.34	8.13	-65.80
O=C([O-])CCCCCNC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300013552680	1	57	0.0	-75.02	434.41	8.28	-66.74
CC(O)(CNC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552681	0	52	0.0	-70.34	394.35	4.12	-66.22
CC(O)(CNC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552681	1	52	0.0	-72.02	398.42	4.27	-67.75
CC(C)(CNC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552682	0	54	0.0	-74.29	401.28	7.23	-67.06
CC(C)(CNC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552682	1	54	0.0	-72.66	405.35	7.38	-65.28
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)C1	REAL300013552683	0	55	0.0	-74.30	405.21	8.68	-65.62
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)C1	REAL300013552683	1	55	0.0	-75.94	409.11	8.86	-67.08
CC(CN(C)C(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552684	0	54	0.0	-75.10	396.62	8.43	-66.67
CC(CN(C)C(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552684	1	54	0.0	-79.11	402.78	8.89	-70.22
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)C1	REAL300013552685	0	58	0.0	-66.84	422.67	9.65	-57.19
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)C1	REAL300013552685	1	58	0.0	-64.81	421.01	10.09	-54.72
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CC1	REAL300013552686	0	58	0.0	-74.10	414.49	9.27	-64.83
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CC1	REAL300013552686	1	58	0.0	-76.00	414.67	9.26	-66.74
O=C([O-])CCCNC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300013552687	0	51	0.0	-70.72	387.35	6.57	-64.15
O=C([O-])CCCNC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300013552687	1	51	0.0	-71.73	391.42	6.72	-65.01
CC1CCN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CC1C(=O)[O-]	REAL300013552688	0	58	0.0	-67.87	420.88	9.56	-58.31
CC1CCN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CC1C(=O)[O-]	REAL300013552688	1	58	0.0	-64.98	421.36	9.60	-55.38
CC(C)(CCNC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552689	0	57	0.0	-71.76	420.05	7.43	-64.33
CC(C)(CCNC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552689	1	57	0.0	-70.21	424.12	7.59	-62.62
CCC(CC)(CNC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552690	0	60	0.0	-66.82	428.22	8.41	-58.41
CCC(CC)(CNC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552690	1	60	0.0	-67.03	432.30	8.57	-58.46
O=C([O-])CC1(NC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CCC1	REAL300013552691	0	55	0.0	-71.94	406.94	8.08	-63.86
O=C([O-])CC1(NC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CCC1	REAL300013552691	1	55	0.0	-67.76	405.81	7.76	-60.00
CC(CNC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552692	0	51	0.0	-72.90	384.39	6.53	-66.37
CC(CNC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552692	1	51	0.0	-75.05	388.46	6.68	-68.37
CC(C)C(CNC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552693	0	57	0.0	-67.13	417.88	7.82	-59.31
CC(C)C(CNC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552693	1	57	0.0	-69.95	427.21	7.88	-62.07
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)C1	REAL300013552694	0	55	0.0	-72.60	408.79	7.88	-64.72
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)C1	REAL300013552694	1	55	0.0	-71.82	408.63	7.87	-63.95
O=C([O-])C1(CNC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CCCC1	REAL300013552695	0	58	0.0	-71.13	425.80	8.62	-62.51
O=C([O-])C1(CNC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CCCC1	REAL300013552695	1	58	0.0	-71.17	425.91	8.59	-62.58
CC1CN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CCC1C(=O)[O-]	REAL300013552696	0	58	0.0	-72.02	414.52	9.75	-62.27
CC1CN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CCC1C(=O)[O-]	REAL300013552696	1	58	0.0	-72.08	414.52	9.74	-62.34
O=C([O-])C1(CNC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CCC1	REAL300013552697	0	55	0.0	-69.21	408.46	7.81	-61.40
O=C([O-])C1(CNC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CCC1	REAL300013552697	1	55	0.0	-66.03	412.52	7.96	-58.07
O=C([O-])CC(CNC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)C1CC1	REAL300013552698	0	58	0.0	-73.53	433.35	8.63	-64.90
O=C([O-])CC(CNC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)C1CC1	REAL300013552698	1	58	0.0	-76.92	437.44	8.78	-68.14
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CC1	REAL300013552699	0	58	0.0	-74.10	414.49	9.27	-64.83
CC1(C(=O)[O-])CCN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CC1	REAL300013552699	1	58	0.0	-76.00	414.67	9.26	-66.74
O=C([O-])C1(CNC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CC1	REAL300013552700	0	52	0.0	-67.66	392.99	7.50	-60.16
O=C([O-])C1(CNC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CC1	REAL300013552700	1	52	0.0	-68.48	393.10	7.48	-61.00
O=C([O-])C1=CC=CC=C1CNC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300013552701	0	55	0.0	-77.09	418.48	8.79	-68.30
O=C([O-])C1=CC=CC=C1CNC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300013552701	1	55	0.0	-72.83	422.54	8.94	-63.89
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)C1	REAL300013552702	0	52	0.0	-73.08	391.97	7.16	-65.92
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)C1	REAL300013552702	1	52	0.0	-72.59	392.34	7.09	-65.50
O=C([O-])[C@@H]1CCCN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)C1	REAL300013552703	0	55	0.0	-75.72	401.36	9.00	-66.72
O=C([O-])[C@@H]1CCCN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)C1	REAL300013552703	1	55	0.0	-78.01	405.49	9.17	-68.84
O=C([O-])[C@H]1CCCN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)C1	REAL300013552704	0	55	0.0	-79.45	402.46	9.06	-70.39
O=C([O-])[C@H]1CCCN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)C1	REAL300013552704	1	55	0.0	-78.09	402.34	9.03	-69.06
O=C([O-])C1CC(NC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)C1	REAL300013552705	0	52	0.0	-73.25	392.82	7.13	-66.12
O=C([O-])C1CC(NC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)C1	REAL300013552705	1	52	0.0	-69.84	396.61	7.31	-62.53
O=C([O-])[C@H]1C[C@H](NC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)C1	REAL300013552706	0	52	0.0	-74.19	392.33	7.16	-67.03
O=C([O-])[C@H]1C[C@H](NC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)C1	REAL300013552706	1	52	0.0	-72.90	392.26	7.16	-65.74
O=C([O-])C1=CC(CNC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)=CC=C1	REAL300013552707	0	55	0.0	-78.02	424.89	8.69	-69.33
O=C([O-])C1=CC(CNC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)=CC=C1	REAL300013552707	1	55	0.0	-78.24	429.17	8.81	-69.43
CCC(CNC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552708	0	54	0.0	-66.86	401.33	7.34	-59.52
CCC(CNC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013552708	1	54	0.0	-69.44	410.41	7.39	-62.05
O=C([O-])CCCCCCNC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300013552709	0	60	0.0	-75.69	451.84	8.91	-66.78
O=C([O-])CCCCCCNC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300013552709	1	60	0.0	-77.20	455.91	9.06	-68.14
CN(CCCC(=O)[O-])C(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300013552710	0	54	0.0	-76.54	404.68	8.97	-67.57
CN(CCCC(=O)[O-])C(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300013552710	1	54	0.0	-78.19	408.72	9.12	-69.07
CC1(C(=O)[O-])CCCN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)C1	REAL300013552711	0	58	0.0	-79.63	417.04	9.74	-69.89
CC1(C(=O)[O-])CCCN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)C1	REAL300013552711	1	58	0.0	-78.16	419.95	9.99	-68.17
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300013552712	0	58	0.0	-67.06	436.61	8.31	-58.75
COCCN(CCC(=O)[O-])C(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300013552712	1	58	0.0	-66.18	440.67	8.46	-57.72
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300013552713	0	58	0.0	-66.51	416.87	9.62	-56.89
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300013552713	1	58	0.0	-64.95	420.05	9.80	-55.15
O=C([O-])C1(O)CCCN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)C1	REAL300013552714	0	56	0.0	-77.11	411.62	6.58	-70.53
O=C([O-])C1(O)CCCN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)C1	REAL300013552714	1	56	0.0	-75.58	414.23	6.80	-68.78
O=C([O-])CN1C=NC(NC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)=C1	REAL300013552715	0	52	0.0	-70.48	401.82	9.29	-61.19
O=C([O-])CN1C=NC(NC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)=C1	REAL300013552715	1	52	0.0	-72.91	401.93	9.26	-63.65
O=C([O-])C12CC(NC(=O)NC3=CC=C(N4CC[N@@H+]5CCCC5C4)C=C3)(C1)C2	REAL300013552716	0	53	0.0	-73.32	406.68	7.53	-65.79
O=C([O-])C12CC(NC(=O)NC3=CC=C(N4CC[N@H+]5CCCC5C4)C=C3)(C1)C2	REAL300013552716	1	53	0.0	-76.44	402.67	7.33	-69.11
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CC1	REAL300013552717	0	58	0.0	-72.42	423.16	8.79	-63.63
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CC1	REAL300013552717	1	58	0.0	-71.81	422.96	8.77	-63.04
O=C([O-])CC1CCN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CC1	REAL300013552718	0	58	0.0	-69.33	417.97	9.73	-59.60
O=C([O-])CC1CCN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CC1	REAL300013552718	1	58	0.0	-68.74	418.41	9.75	-58.99
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)C1	REAL300013552719	0	58	0.0	-73.69	427.21	8.27	-65.42
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)C1	REAL300013552719	1	58	0.0	-73.21	426.78	8.36	-64.85
O=C([O-])C1CCCC(NC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)C1	REAL300013552720	0	58	0.0	-74.05	427.48	8.38	-65.67
O=C([O-])C1CCCC(NC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)C1	REAL300013552720	1	58	0.0	-68.87	426.59	8.95	-59.92
O=C([O-])C1(CNC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CCOC1	REAL300013552721	0	56	0.0	-68.78	414.26	5.93	-62.85
O=C([O-])C1(CNC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CCOC1	REAL300013552721	1	56	0.0	-66.48	418.29	6.08	-60.40
O=C([O-])C1CC2CCC1N2C(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300013552722	0	56	0.0	-84.41	410.50	9.54	-74.87
O=C([O-])C1CC2CCC1N2C(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300013552722	1	56	0.0	-79.57	414.57	9.70	-69.87
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1=CC=C(N3CC[N@@H+]4CCCC4C3)C=C1)C2	REAL300013552723	0	53	0.0	-74.50	404.15	7.84	-66.66
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1=CC=C(N3CC[N@H+]4CCCC4C3)C=C1)C2	REAL300013552723	1	53	0.0	-71.34	408.39	8.03	-63.31
O=C([O-])C1(CNC(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CC1	REAL300013552724	0	52	0.0	-67.66	392.99	7.50	-60.16
O=C([O-])C1(CNC(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CC1	REAL300013552724	1	52	0.0	-68.48	393.10	7.48	-61.00
O=C([O-])C1CN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CC12CCC2	REAL300013552725	0	59	0.0	-70.46	431.16	9.88	-60.58
O=C([O-])C1CN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CC12CCC2	REAL300013552725	1	59	0.0	-67.79	435.22	10.03	-57.76
CC1(C(=O)[O-])CN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)CCO1	REAL300013552726	0	56	0.0	-79.75	409.83	8.27	-71.48
CC1(C(=O)[O-])CN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)CCO1	REAL300013552726	1	56	0.0	-74.89	413.88	8.45	-66.44
O=C([O-])C1CCN(C(=O)NC2=CC=C(N3CC[N@@H+]4CCCC4C3)C=C2)C1	REAL300013552727	0	52	0.0	-75.12	388.23	8.14	-66.98
O=C([O-])C1CCN(C(=O)NC2=CC=C(N3CC[N@H+]4CCCC4C3)C=C2)C1	REAL300013552727	1	52	0.0	-74.87	392.17	8.28	-66.59
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1=CC=C(N3CC[N@@H+]4CCCC4C3)C=C1)C2	REAL300013552728	0	53	0.0	-78.06	402.97	7.90	-70.16
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1=CC=C(N3CC[N@H+]4CCCC4C3)C=C1)C2	REAL300013552728	1	53	0.0	-76.60	403.08	7.86	-68.74
CC(CCC(=O)[O-])NC(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300013552729	0	54	0.0	-70.55	406.82	7.60	-62.95
CC(CCC(=O)[O-])NC(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300013552729	1	54	0.0	-68.23	410.89	7.75	-60.48
COC(=O)CCC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013552770	1	51	0.0	-40.12	405.23	8.38	-31.74
CCC(=O)N(C)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013552856	1	52	0.0	-44.42	405.87	7.59	-36.83
CNC(=O)N(C)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013552942	1	51	0.0	-45.51	400.17	5.68	-39.83
CC(C)(C)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013553026	1	51	0.0	-36.30	385.06	8.38	-27.92
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC3=C(CS(=O)(=O)CC3)S2)CC1	REAL300013553111	1	45	0.0	-48.44	376.56	3.37	-45.07
COC1=CC2=C(OC)C=CN=C2C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013553186	1	52	0.0	-39.97	405.32	5.40	-34.57
CCOC(=O)C1=CC(OCC)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013553259	1	55	0.0	-36.33	430.83	8.31	-28.02
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3CCCCC3=N2)CC1	REAL300013553329	1	48	0.0	-40.34	366.29	8.27	-32.07
CN(C)C1=CC=C(F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013553406	1	47	0.0	-36.39	366.29	6.03	-30.36
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1N1CCCC1	REAL300013553549	1	54	0.0	-37.26	399.42	7.36	-29.90
CC1=C(CC2=CC=CC=C2)SC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013553634	1	51	0.0	-41.09	411.12	9.65	-31.44
CC1=CC(S(N)(=O)=O)=C(C)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013553710	1	50	0.0	-43.64	393.29	2.63	-41.01
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3CC(=O)NC3=C2)CC1	REAL300013553781	1	44	0.0	-46.61	348.83	4.59	-42.02
COC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1OC	REAL300013553858	1	47	0.0	-38.09	367.70	5.55	-32.54
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OC3=CC=CC=C3F)C=C2)CC1	REAL300013553968	1	50	0.0	-41.11	402.83	9.08	-32.03
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(OC3=CC=CC=C3F)=C2)CC1	REAL300013554044	1	50	0.0	-42.93	403.90	9.07	-33.86
CN(C)C1=CC(F)=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013554114	1	47	0.0	-43.62	366.04	6.57	-37.05
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN(CCN3CCNC3=O)C=C2)CC1	REAL300013554198	1	52	0.0	-45.44	410.69	4.43	-41.01
COC(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1SC	REAL300013554295	1	49	0.0	-43.34	397.39	7.65	-35.69
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2CCOCC2)C(F)(F)F)CC1	REAL300013554375	1	49	0.0	-38.49	376.54	5.20	-33.29
CC1=NOC(C(C)C)=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013554443	1	47	0.0	-39.13	365.27	6.27	-32.86
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(C3CCCC3)N=C2)CC1	REAL300013554543	1	49	0.0	-44.16	372.16	6.56	-37.60
CN(C(=O)C1CC1)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013554628	1	53	0.0	-44.24	416.61	8.34	-35.90
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OC3=CC=C(F)C=C3)C=C2)CC1	REAL300013554773	1	50	0.0	-38.31	401.96	9.03	-29.28
CN1C(=O)C2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2N(C)C1=O	REAL300013554848	1	51	0.0	-48.97	397.39	6.32	-42.65
CN(C)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1Cl	REAL300013554937	1	47	0.0	-37.40	377.79	6.32	-31.08
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1Cl	REAL300013555006	1	42	0.0	-36.21	342.33	7.23	-28.98
CC1CC(C)(C)C2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C21	REAL300013555086	1	55	0.0	-36.51	408.09	10.06	-26.45
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(N3N=NC4=CC=CC=C43)C=C2)CC1	REAL300013555170	1	51	0.0	-46.08	406.20	7.89	-38.19
CC(C)(C)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=C1	REAL300013555240	1	50	0.0	-39.60	379.83	8.13	-31.47
CC1=NC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C2S1	REAL300013555322	1	44	0.0	-38.89	359.98	6.24	-32.65
CC1=NC(C(N)=O)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013555403	1	45	0.0	-46.95	356.28	2.00	-44.95
CC(C)C1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N2C=CC=CC2=N1	REAL300013555521	1	51	0.0	-41.69	398.66	9.23	-32.46
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC2=CC=CC=C21	REAL300013555607	1	49	0.0	-39.41	381.38	7.75	-31.66
C=CCN1C=C2C=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC2=N1	REAL300013555692	1	49	0.0	-41.93	390.20	7.56	-34.37
COC(=O)C1=CC2=CC=CN=C2C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013555776	1	50	0.0	-43.44	402.35	7.31	-36.13
CCC(=O)N1CCC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C21	REAL300013555855	1	53	0.0	-42.54	407.72	8.06	-34.48
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(C3CCC3)N=C2)CC1	REAL300013555921	1	46	0.0	-40.23	354.67	5.88	-34.35
COC(=O)C1=CC(C)=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013555999	1	48	0.0	-45.63	383.36	7.41	-38.22
COC(=O)CN1N=CC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C21	REAL300013556085	1	51	0.0	-48.93	412.52	7.18	-41.75
COC(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013556159	1	45	0.0	-45.39	366.12	6.79	-38.60
C=CCN1N=CC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C21	REAL300013556245	1	49	0.0	-43.76	390.90	7.53	-36.23
CC1CCN(C2=CC=C(F)C=C2NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013556330	1	57	0.0	-36.83	424.15	8.96	-27.87
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2OC2=CC=CC=N2)CC1	REAL300013556408	1	49	0.0	-38.69	393.55	6.53	-32.16
CC1=CC(C(N)=O)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013556502	1	46	0.0	-45.74	358.94	3.80	-41.94
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=NN2CC2=CC=C(Cl)S2)CC1	REAL300013556642	1	46	0.0	-39.87	396.40	8.42	-31.45
CN1CC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2C1=O	REAL300013556735	1	47	0.0	-49.05	370.96	5.98	-43.07
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2CCOC2)C(F)(F)F)CC1	REAL300013556820	1	46	0.0	-38.27	361.38	4.35	-33.92
CC1=CC(OC(F)F)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013556905	1	46	0.0	-45.01	363.75	6.57	-38.44
CCC1CCCC2=C1N=C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)S2	REAL300013557004	1	51	0.0	-37.12	391.70	8.76	-28.36
CC(C)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(Cl)=C1	REAL300013557085	1	48	0.0	-34.88	381.55	8.70	-26.18
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CC[NH+](CC)CCOC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013559989	0	58	0.0	-66.25	433.60	9.43	-56.82
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)=C1	REAL300013559990	0	58	0.0	-70.82	417.61	10.33	-60.49
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013559991	0	55	0.0	-63.30	411.36	8.43	-54.87
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013559992	0	58	0.0	-71.05	437.57	9.12	-61.93
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013559993	0	58	0.0	-69.62	418.34	9.81	-59.81
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300013559994	0	63	0.0	-69.10	457.06	9.42	-59.68
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013559995	0	52	0.0	-63.05	396.53	8.02	-55.03
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013559996	0	55	0.0	-70.52	426.51	9.60	-60.92
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC(COC)(C(=O)[O-])C2)=C1	REAL300013559997	0	59	0.0	-73.20	440.67	8.78	-64.42
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013559998	0	52	0.0	-72.20	396.38	7.63	-64.57
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NC2CCN(CC(=O)[O-])CC2)=C1	REAL300013559999	0	60	0.0	-69.78	448.83	6.99	-62.79
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013560000	0	55	0.0	-71.94	405.50	9.49	-62.45
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013560001	0	55	0.0	-64.65	406.45	9.59	-55.06
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013560002	0	52	0.0	-67.61	396.36	7.63	-59.98
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013560003	0	52	0.0	-73.18	400.44	7.99	-65.19
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013560004	0	55	0.0	-72.85	428.66	9.17	-63.68
CCC(CNC(=O)NC1=CC=CC(OCC[NH+](CC)CC)=C1)C(=O)[O-]	REAL300013560005	0	54	0.0	-64.85	409.89	7.74	-57.11
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCCCC2CCC(=O)[O-])=C1	REAL300013560006	0	61	0.0	-83.88	439.52	10.95	-72.93
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NCCCCCCCC(=O)[O-])=C1	REAL300013560007	0	63	0.0	-74.00	481.14	10.49	-63.51
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NCCCCCCC(=O)[O-])=C1	REAL300013560008	0	60	0.0	-73.78	459.64	9.71	-64.07
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N(C)CCCC(=O)[O-])=C1	REAL300013560009	0	54	0.0	-70.43	413.22	9.72	-60.71
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300013560010	0	58	0.0	-78.92	420.76	10.30	-68.62
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300013560011	0	58	0.0	-65.41	444.53	9.12	-56.29
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300013560012	0	61	0.0	-73.15	450.23	11.27	-61.88
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)=C1	REAL300013560013	0	56	0.0	-66.79	422.41	8.56	-58.23
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300013560014	0	58	0.0	-65.42	424.92	10.37	-55.05
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013560015	0	56	0.0	-76.36	419.43	7.36	-69.00
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NC2=CN(CC(=O)[O-])C=N2)=C1	REAL300013560016	0	52	0.0	-74.94	409.57	10.11	-64.83
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013560017	0	53	0.0	-71.15	406.43	7.84	-63.31
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013560018	0	58	0.0	-68.29	425.56	9.23	-59.06
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300013560019	0	61	0.0	-72.79	451.05	9.59	-63.20
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300013560020	0	58	0.0	-67.86	427.81	10.47	-57.39
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC(OCC(=O)[O-])CC2)=C1	REAL300013560021	0	59	0.0	-73.01	444.42	9.89	-63.12
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013560022	0	58	0.0	-68.38	430.77	8.84	-59.54
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300013560023	0	58	0.0	-68.43	431.41	9.54	-58.89
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300013560024	0	59	0.0	-70.28	436.78	7.69	-62.59
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300013560025	0	56	0.0	-66.85	422.29	6.71	-60.14
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2C3CCC2C(C(=O)[O-])C3)=C1	REAL300013560026	0	56	0.0	-75.87	418.33	10.32	-65.55
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013560027	0	53	0.0	-74.37	411.72	8.67	-65.70
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013560028	0	52	0.0	-63.05	396.53	8.02	-55.03
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300013560029	0	59	0.0	-66.05	434.76	10.39	-55.66
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013560030	0	56	0.0	-78.52	413.06	8.85	-69.67
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CC(OC)CC(C(=O)[O-])C2)=C1	REAL300013560031	0	59	0.0	-70.60	438.57	8.54	-62.06
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013560032	0	52	0.0	-67.71	392.01	8.63	-59.08
CC[NH+](CC)CCOC1=CC=CC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013560033	0	53	0.0	-74.08	411.36	8.61	-65.47
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NC2(CC(=O)[O-])CCCCC2)=C1	REAL300013560034	0	61	0.0	-65.72	439.43	10.65	-55.07
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NC(C)CCC(=O)[O-])=C1	REAL300013560035	0	54	0.0	-66.11	411.06	8.10	-58.01
CCCCC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=N1	REAL300013560074	1	53	0.0	-37.93	405.16	8.20	-29.73
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3CCOC(=O)C3=C2)CC1	REAL300013560161	1	46	0.0	-47.51	363.01	7.09	-40.42
CCC1=NN(C)C(CC)=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013560242	1	51	0.0	-39.96	391.47	6.23	-33.73
CCC1=CC=CC(OC)=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013560329	1	49	0.0	-37.21	374.34	8.38	-28.83
CCOC1=CC=C(F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013560407	1	46	0.0	-37.27	362.89	6.54	-30.73
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2Cl)CC1	REAL300013560464	1	39	0.0	-35.42	321.37	6.77	-28.65
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(N3C(=O)CCC3=O)=C2)CC1	REAL300013560533	1	49	0.0	-49.47	393.85	6.72	-42.75
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(N3C(=O)CCC3=O)C=C2)CC1	REAL300013560617	1	49	0.0	-46.47	393.68	6.67	-39.80
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC([N+](=O)[O-])=C1	REAL300013560693	1	44	0.0	-42.35	356.48	7.47	-34.88
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(F)=C(N3CCOCC3)C(F)=C2)CC1	REAL300013560809	1	52	0.0	-43.56	403.45	5.18	-38.38
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN3CCC(=O)NC3=N2)CC1	REAL300013560879	1	43	0.0	-44.52	344.98	7.18	-37.34
CC1=NC(F)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013560935	1	41	0.0	-43.39	325.82	5.13	-38.26
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C(F)(F)CF)=C2)CC1	REAL300013561055	1	45	0.0	-39.24	366.62	7.81	-31.43
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=CC=C2C=C1	REAL300013561138	1	48	0.0	-37.41	369.10	9.13	-28.28
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(N3CCNC3=O)C=C2)CC1	REAL300013561224	1	49	0.0	-44.51	379.82	4.84	-39.67
COC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C	REAL300013561353	1	46	0.0	-37.66	353.32	6.41	-31.25
COC1=CC(Br)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013561465	1	43	0.0	-36.05	356.48	6.19	-29.86
COCCN1N=CC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C21	REAL300013561544	1	52	0.0	-43.82	411.76	6.03	-37.79
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300013561586	1	56	0.0	-81.54	416.00	9.13	-72.41
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NC(C)(C)CCC(=O)[O-])C=C2)CC1	REAL300013561587	1	58	0.0	-78.87	429.30	7.66	-71.21
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N3CCOC(C(=O)[O-])C3)C=C2)CC1	REAL300013561588	1	54	0.0	-82.36	408.71	7.60	-74.76
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NCCCCC(=O)[O-])C=C2)CC1	REAL300013561589	1	55	0.0	-84.99	424.26	7.50	-77.49
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NCCC(=O)[O-])C=C2)CC1	REAL300013561590	1	49	0.0	-82.41	381.27	5.92	-76.49
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300013561591	1	58	0.0	-84.18	445.76	8.28	-75.90
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NCC(C)(O)C(=O)[O-])C=C2)CC1	REAL300013561592	1	53	0.0	-80.58	409.77	4.27	-76.31
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013561593	1	55	0.0	-84.96	416.12	7.40	-77.56
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300013561594	1	56	0.0	-77.91	419.85	8.77	-69.14
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N(C)CC(C)C(=O)[O-])C=C2)CC1	REAL300013561595	1	55	0.0	-87.25	412.90	8.59	-78.66
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013561596	1	52	0.0	-80.45	402.76	6.72	-73.73
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013561597	1	58	0.0	-81.45	435.47	7.60	-73.85
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NC3(CC(=O)[O-])CCC3)C=C2)CC1	REAL300013561598	1	56	0.0	-70.71	422.88	8.14	-62.57
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NCC(C)C(=O)[O-])C=C2)CC1	REAL300013561599	1	52	0.0	-83.25	399.81	6.68	-76.57
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NCC(C(=O)[O-])C(C)C)C=C2)CC1	REAL300013561600	1	58	0.0	-75.73	438.55	7.87	-67.86
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013561601	1	56	0.0	-75.49	422.56	7.99	-67.50
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NCC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300013561602	1	56	0.0	-70.63	424.00	7.91	-62.72
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NCC3(C(=O)[O-])CC3)C=C2)CC1	REAL300013561603	1	53	0.0	-69.45	407.91	7.53	-61.92
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013561604	1	53	0.0	-78.27	407.86	7.27	-71.00
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013561605	1	56	0.0	-71.96	416.54	9.20	-62.76
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013561606	1	56	0.0	-87.86	417.54	9.21	-78.65
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NC3CC(C(=O)[O-])C3)C=C2)CC1	REAL300013561607	1	53	0.0	-83.27	408.09	7.26	-76.01
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013561608	1	53	0.0	-75.98	405.82	7.31	-68.67
CCC(CNC(=O)NC1=CC=C(C(=O)N2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300013561609	1	55	0.0	-73.10	416.75	7.49	-65.61
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)CC1	REAL300013561610	1	54	0.0	-81.46	417.56	7.46	-74.00
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300013561611	1	54	0.0	-76.85	419.56	7.98	-68.87
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NCC3(C(=O)[O-])CC3)C=C2)CC1	REAL300013561612	1	53	0.0	-69.45	407.91	7.53	-61.92
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N3CCC(C(=O)[O-])C3)C=C2)CC1	REAL300013561613	1	53	0.0	-75.07	403.75	8.26	-66.81
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300013561614	1	54	0.0	-78.92	419.13	8.05	-70.87
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)NC(C)CCC(=O)[O-])C=C2)CC1	REAL300013561615	1	55	0.0	-80.86	422.52	7.73	-73.13
CC(C)CCC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013561654	1	54	0.0	-36.38	410.34	9.63	-26.75
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(Cl)C3=NC=CC=C23)CC1	REAL300013561741	1	44	0.0	-42.05	361.10	7.28	-34.77
COCC1=C2N=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)SC2=CC=C1	REAL300013561825	1	48	0.0	-39.64	391.54	6.63	-33.01
COC1=CC=C2SC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=NC2=C1	REAL300013561905	1	45	0.0	-40.79	368.31	6.01	-34.78
COC1=CC(Cl)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013561996	1	43	0.0	-36.07	351.91	6.10	-29.97
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O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(Br)=C2F)CC1	REAL300013562166	1	39	0.0	-35.87	332.32	6.84	-29.03
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CC1CN(C(=O)NC2=CC=[NH+]C(N3CCCCC3)=C2)CCC1C(=O)[O-]	REAL300013563694	0	51	0.0	-63.41	370.65	8.49	-54.92
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CC1(C(=O)[O-])CCN(C(=O)NC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013563697	0	51	0.0	-61.68	369.64	8.06	-53.62
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COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013563701	0	52	0.0	-70.99	392.93	7.01	-63.98
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O=C([O-])[C@H]1C[C@H](NC(=O)NC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013563707	0	45	0.0	-66.08	348.56	5.93	-60.15
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CCC(CNC(=O)NC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300013563709	0	47	0.0	-57.96	362.54	5.96	-52.00
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CC1(C(=O)[O-])CCCN(C(=O)NC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013563713	0	51	0.0	-69.27	372.98	8.54	-60.73
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013563714	0	55	0.0	-73.07	405.07	7.69	-65.38
O=C([O-])CCC1CCCN(C(=O)NC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013563715	0	54	0.0	-68.72	398.42	9.23	-59.49
O=C([O-])C1CN(C(=O)NC2=CC=[NH+]C(N3CCCCC3)=C2)CC2=CC=CC=C21	REAL300013563716	0	52	0.0	-63.48	391.34	10.23	-53.25
O=C([O-])C(=O)N1CCN(C(=O)NC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013563717	0	49	0.0	-60.84	369.95	6.48	-54.36
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013563718	0	51	0.0	-53.87	373.56	8.34	-45.53
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O=C([O-])C1(O)CCCN(C(=O)NC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013563720	0	49	0.0	-61.35	367.41	5.34	-56.01
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COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013563724	0	55	0.0	-69.04	401.47	7.99	-61.05
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O=C([O-])[C@H]1CC[C@H](CNC(=O)NC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013563728	0	54	0.0	-69.01	402.38	7.78	-61.23
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CN1N=C(C2CCOCC2)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013564015	1	53	0.0	-41.61	401.83	6.18	-35.43
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=NN2C2CCOC2)CC1	REAL300013564095	1	47	0.0	-43.33	363.72	5.18	-38.15
CCNC(=O)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C(C)S1	REAL300013564177	1	49	0.0	-43.75	395.35	5.14	-38.61
CN(C)C1=CC(NC(=O)NC2=CC=CC(CC(=O)[O-])=C2)=CC=[NH+]1	REAL300013564221	0	41	0.0	-62.07	335.38	7.30	-54.77
CN(C)C1=CC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CC=[NH+]1	REAL300013564222	0	41	0.0	-69.39	338.86	6.62	-62.77
CN(C)C1=CC(NC(=O)NC2CCC(C(=O)[O-])CC2)=CC=[NH+]1	REAL300013564223	0	44	0.0	-60.18	336.54	6.69	-53.49
CN(C)C1=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=[NH+]1	REAL300013564224	0	41	0.0	-66.42	339.63	6.60	-59.82
CN(C)C1=CC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=CC=[NH+]1	REAL300013564225	0	51	0.0	-66.73	391.50	10.43	-56.30
CN(C)C1=CC(NC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=CC=[NH+]1	REAL300013564226	0	44	0.0	-64.05	357.90	8.13	-55.92
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=[NH+]C(N(C)C)=C2)C1	REAL300013564227	0	44	0.0	-51.79	337.85	7.54	-44.25
CN(C)C1=CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)=CC=[NH+]1	REAL300013564228	0	44	0.0	-65.67	329.80	7.26	-58.41
CC1CCN(C(=O)NC2=CC=[NH+]C(N(C)C)=C2)CC1C(=O)[O-]	REAL300013564229	0	44	0.0	-62.66	331.41	7.40	-55.26
CN(C)C1=CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)=CC=[NH+]1	REAL300013564230	0	45	0.0	-54.87	341.77	4.69	-50.18
CCC(CC)(CNC(=O)NC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300013564231	0	46	0.0	-51.17	343.63	6.31	-44.86
CN(C)C1=CC(NC(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=CC=[NH+]1	REAL300013564232	0	52	0.0	-61.87	395.65	7.77	-54.10
CC(NC(=O)NC1=CC=[NH+]C(N(C)C)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013564233	0	50	0.0	-67.63	376.98	7.59	-60.04
CN(C)C1=CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=[NH+]1	REAL300013564234	0	47	0.0	-54.48	369.86	7.90	-46.58
CN(C)C1=CC(NC(=O)N2CCC(CCC(=O)[O-])CC2)=CC=[NH+]1	REAL300013564235	0	47	0.0	-63.25	356.41	8.42	-54.83
CN(C)C1=CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=CC=[NH+]1	REAL300013564236	0	43	0.0	-60.57	333.22	5.18	-55.39
CN(C)C1=CC(NC(=O)NCC2(C(=O)[O-])CCCC2)=CC=[NH+]1	REAL300013564237	0	44	0.0	-55.13	339.92	6.59	-48.54
CC1CN(C(=O)NC2=CC=[NH+]C(N(C)C)=C2)CCC1C(=O)[O-]	REAL300013564238	0	44	0.0	-61.08	329.91	7.70	-53.38
CN(C)C1=CC(NC(=O)NCC(CC(=O)[O-])C2CC2)=CC=[NH+]1	REAL300013564239	0	44	0.0	-60.41	348.62	6.61	-53.80
CN(C)C1=CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)=CC=[NH+]1	REAL300013564240	0	44	0.0	-65.67	329.80	7.26	-58.41
CC(C)C[C@H](CNC(=O)NC1=CC=[NH+]C(N(C)C)=C1)CC(=O)[O-]	REAL300013564241	0	49	0.0	-56.40	366.51	6.93	-49.47
CN(C)C1=CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])=CC=[NH+]1	REAL300013564242	0	41	0.0	-58.98	333.26	6.73	-52.25
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=[NH+]C(N(C)C)=C2)C1	REAL300013564243	0	45	0.0	-67.22	353.12	5.70	-61.52
CN(C)C1=CC(NC(=O)NC2CCN(CC(=O)[O-])CC2)=CC=[NH+]1	REAL300013564244	0	46	0.0	-64.44	355.02	4.18	-60.26
CN(C)C1=CC(NC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=CC=[NH+]1	REAL300013564245	0	51	0.0	-52.61	393.47	8.50	-44.11
CN(C)C1=CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=[NH+]1	REAL300013564246	0	41	0.0	-66.42	339.63	6.60	-59.82
COC(=O)C1CC2(C1)CN(C(=O)NC1=CC=[NH+]C(N(C)C)=C1)CC2C(=O)[O-]	REAL300013564247	0	51	0.0	-60.40	399.80	8.53	-51.87
CN(C)C1=CC(NC(=O)N2CCCCC2CCC(=O)[O-])=CC=[NH+]1	REAL300013564248	0	47	0.0	-61.35	347.61	8.26	-53.09
CN(C)C1=CC(NC(=O)NCCCCCCCC(=O)[O-])=CC=[NH+]1	REAL300013564249	0	49	0.0	-65.59	388.83	7.64	-57.95
CN(C)C1=CC(NC(=O)NCCCCCCC(=O)[O-])=CC=[NH+]1	REAL300013564250	0	46	0.0	-65.76	365.48	6.89	-58.87
CN(C)C1=CC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=[NH+]1	REAL300013564251	0	44	0.0	-64.98	330.87	7.72	-57.26
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=[NH+]C(N(C)C)=C2)C1	REAL300013564252	0	48	0.0	-69.37	364.57	6.87	-62.50
COCCN(CCC(=O)[O-])C(=O)NC1=CC=[NH+]C(N(C)C)=C1	REAL300013564253	0	44	0.0	-51.27	351.12	6.25	-45.02
CN(C)C1=CC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=CC=[NH+]1	REAL300013564254	0	50	0.0	-69.04	388.92	8.50	-60.54
CN(C)C1=CC(NC(=O)N2CCCC(CCC(=O)[O-])C2)=CC=[NH+]1	REAL300013564255	0	47	0.0	-64.84	356.11	8.42	-56.42
CN(C)C1=CC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=CC=[NH+]1	REAL300013564256	0	45	0.0	-70.47	352.22	9.03	-61.44
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2=CC=[NH+]C(N(C)C)=C2)CCO1	REAL300013564257	0	52	0.0	-66.27	405.99	6.64	-59.63
CN(C)C1=CC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)=CC=[NH+]1	REAL300013564258	0	42	0.0	-60.24	328.27	5.76	-54.48
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=[NH+]C(N(C)C)=C1	REAL300013564259	0	44	0.0	-51.68	330.88	7.59	-44.09
CN(C)C1=CC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=CC=[NH+]1	REAL300013564260	0	48	0.0	-56.25	378.25	9.53	-46.72
CN(C)C1=CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)=CC=[NH+]1	REAL300013564261	0	42	0.0	-64.62	327.01	4.56	-60.06
CN(C)C1=CC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=CC=[NH+]1	REAL300013564262	0	45	0.0	-64.01	362.07	7.86	-56.15
CN(C)C1=CC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)=CC=[NH+]1	REAL300013564263	0	48	0.0	-68.50	367.32	6.86	-61.64
CN(C)C1=CC(NC(=O)NC2=CN(CC(=O)[O-])C=N2)=CC=[NH+]1	REAL300013564264	0	38	0.0	-61.40	315.39	7.30	-54.10
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=[NH+]C(N(C)C)=C2)CC1	REAL300013564265	0	48	0.0	-66.12	359.38	7.20	-58.92
CN(C)C1=CC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)=CC=[NH+]1	REAL300013564266	0	50	0.0	-59.28	363.77	7.34	-51.94
CN(C)C1=CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=CC=[NH+]1	REAL300013564267	0	44	0.0	-59.84	337.31	6.73	-53.11
CN(C)C1=CC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=CC=[NH+]1	REAL300013564268	0	47	0.0	-65.85	361.59	6.94	-58.91
CN(C)C1=CC(NC(=O)N2CCC(CC(=O)[O-])CC2)=CC=[NH+]1	REAL300013564269	0	44	0.0	-57.93	334.09	7.64	-50.29
CN(C)C1=CC(NC(=O)N2CCC(OCC(=O)[O-])CC2)=CC=[NH+]1	REAL300013564270	0	45	0.0	-64.76	350.69	7.06	-57.70
CN(C)C1=CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=[NH+]1	REAL300013564271	0	44	0.0	-63.19	341.75	6.29	-56.90
CN(C)C1=CC(NC(=O)NC2CCCC(C(=O)[O-])C2)=CC=[NH+]1	REAL300013564272	0	44	0.0	-61.01	342.62	6.25	-54.76
CN(C)C1=CC(NC(=O)NCC2(C(=O)[O-])CCCOC2)=CC=[NH+]1	REAL300013564273	0	45	0.0	-59.01	346.56	5.21	-53.80
CN(C)C1=CC(NC(=O)NCC2(C(=O)[O-])CCOC2)=CC=[NH+]1	REAL300013564274	0	42	0.0	-55.30	329.91	3.81	-51.49
CN(C)C1=CC(NC(=O)N2C3CCC2C(C(=O)[O-])C3)=CC=[NH+]1	REAL300013564275	0	42	0.0	-66.08	324.45	7.55	-58.53
CN(C)C1=CC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=CC=[NH+]1	REAL300013564276	0	53	0.0	-66.73	414.85	8.99	-57.74
CN(C)C1=CC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=CC=[NH+]1	REAL300013564277	0	45	0.0	-55.87	344.23	7.78	-48.09
CN(C)C1=CC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=CC=[NH+]1	REAL300013564278	0	41	0.0	-55.35	335.70	6.83	-48.52
CN(C)C1=CC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)=CC=[NH+]1	REAL300013564279	0	42	0.0	-65.75	325.18	6.23	-59.52
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=[NH+]C(N(C)C)=C2)C1	REAL300013564280	0	45	0.0	-66.19	347.12	6.09	-60.10
CN(C)C1=CC(NC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=CC=[NH+]1	REAL300013564281	0	50	0.0	-76.17	395.67	5.58	-70.59
CN(C)C1=CC(NC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=CC=[NH+]1	REAL300013564282	0	45	0.0	-67.64	368.11	8.83	-58.81
CN(C)C1=CC(NC(=O)NC2(CC(=O)[O-])CCCCC2)=CC=[NH+]1	REAL300013564283	0	47	0.0	-52.50	346.38	7.84	-44.66
O=C([O-])C[NH+]1CCC(NC(=O)NC2=C(C3=CC=CC=N3)N=C3C=CC=CN32)CC1	REAL300013564322	1	51	0.0	-42.49	408.17	9.42	-33.07
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013564398	1	53	0.0	-51.44	417.27	7.05	-44.39
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1N1CCOCC1=O	REAL300013564474	1	54	0.0	-43.57	419.45	6.65	-36.92
CN1C=C(C2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)C=N1	REAL300013564611	1	49	0.0	-45.10	386.97	7.42	-37.68
COCCOCCOC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013564695	1	57	0.0	-43.33	447.33	5.95	-37.38
CN(C)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(C(F)(F)F)=C1	REAL300013564863	1	50	0.0	-41.77	398.37	7.51	-34.26
CC1=CC(Br)=C(F)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013564959	1	42	0.0	-35.83	354.25	7.52	-28.31
COC(=O)C1=CC2=NC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)N2C=C1	REAL300013565036	1	48	0.0	-45.78	388.61	8.21	-37.57
CC1=NOC(CC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2)=N1	REAL300013565117	1	50	0.0	-41.47	401.56	6.19	-35.28
CC(C)N1C=C(Cl)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013565199	1	45	0.0	-40.08	369.00	7.00	-33.08
COC1=CC(Cl)=C(F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013565305	1	43	0.0	-41.89	357.09	6.11	-35.78
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C(F)F)C=C2)CC1	REAL300013565379	1	42	0.0	-38.37	339.04	6.99	-31.38
CC1=CC=CC=C1OC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013565459	1	53	0.0	-40.16	415.49	9.60	-30.56
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3NC(=O)CS(=O)(=O)C3=C2)CC1	REAL300013565537	1	47	0.0	-49.81	384.88	1.52	-48.29
CS(C)(=O)=NC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013565614	1	49	0.0	-50.64	387.42	4.46	-46.18
CCC1=NC(OC)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013565691	1	48	0.0	-38.59	372.79	4.38	-34.21
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(Cl)=C1OC	REAL300013565774	1	47	0.0	-45.05	385.85	5.93	-39.12
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN(C3=CC=C(Cl)C=C3)C=C2)CC1	REAL300013565859	1	46	0.0	-42.82	381.86	8.82	-34.00
CC1=CC=C(N2C=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=N2)C=C1	REAL300013566001	1	49	0.0	-39.76	386.53	8.98	-30.78
CC(C)(C)N1N=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013566070	1	48	0.0	-40.13	361.22	7.06	-33.07
CCC(C)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013566141	1	51	0.0	-36.22	385.53	8.69	-27.53
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=NN2C2CC2)CC1	REAL300013566199	1	43	0.0	-40.77	339.00	6.50	-34.27
CC(C)C1=CC(Cl)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013566262	1	48	0.0	-36.51	380.60	8.81	-27.70
O=C([O-])C[NH+]1CCC(NC(=O)NC2=C(C3CC3)SC=N2)CC1	REAL300013566331	1	42	0.0	-44.20	343.43	6.92	-37.28
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C1=CSC=C1	REAL300013566412	1	49	0.0	-42.32	393.65	9.23	-33.09
CC1(C2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)COC(=O)N1	REAL300013566496	1	51	0.0	-44.77	395.96	4.83	-39.94
CCN1C=C(Cl)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013566571	1	42	0.0	-40.80	350.32	6.47	-34.33
CC1CC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C2O1	REAL300013566645	1	47	0.0	-38.69	364.07	6.70	-31.99
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C3=NOC=C3)=C2)CC1	REAL300013566728	1	45	0.0	-48.47	361.56	7.05	-41.42
CC1(C)CCCC(C2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)C1	REAL300013566816	1	61	0.0	-36.22	442.69	10.83	-25.39
CN1N=C(C2CC2)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013566930	1	46	0.0	-41.31	359.13	6.91	-34.40
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN=CC(C(F)(F)F)=C2)CC1	REAL300013567008	1	41	0.0	-43.25	340.62	5.31	-37.94
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2C2CCC2)CC1	REAL300013567093	1	49	0.0	-40.40	368.36	8.88	-31.52
CC1=CC(F)=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C	REAL300013567160	1	45	0.0	-36.04	350.76	7.45	-28.59
CCCN1N=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013567214	1	45	0.0	-40.14	350.71	6.45	-33.69
CC1(C2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2)CC1(F)F	REAL300013567281	1	49	0.0	-39.21	385.04	8.76	-30.45
COC1=CC=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013567340	1	43	0.0	-36.53	335.18	5.57	-30.96
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC3=CC(F)=CC=C32)CC1	REAL300013567465	1	45	0.0	-42.52	355.65	8.60	-33.92
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(N2CCCCC2)=C1	REAL300013567554	1	57	0.0	-40.95	421.18	8.07	-32.88
CC(C)C1=CC=C(C(C)C)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013567637	1	57	0.0	-36.31	424.37	10.17	-26.14
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3CCOC3=C2)CC1	REAL300013567706	1	44	0.0	-41.87	342.73	5.98	-35.89
CC1(C)CC1C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(F)(F)F	REAL300013567784	1	48	0.0	-39.86	379.48	7.00	-32.86
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2C2=NC=CS2)CC1	REAL300013567870	1	45	0.0	-36.39	366.88	7.87	-28.52
CC1(C)OC(=O)C2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C21	REAL300013567972	1	49	0.0	-41.98	387.16	7.83	-34.15
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OC3=CC=NC=N3)C=C2)CC1	REAL300013568059	1	48	0.0	-40.57	388.47	6.31	-34.26
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC=C(CC3CCCO3)S2)CC1	REAL300013568143	1	49	0.0	-46.70	393.72	6.64	-40.06
C[C@@H]1CC2=C(SC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=N2)[C@H](C)O1	REAL300013568227	1	49	0.0	-41.26	389.69	6.44	-34.82
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3CCCC(=O)NC3=C2)CC1	REAL300013568412	1	50	0.0	-44.25	382.32	6.24	-38.01
CC1=CC=C(CC2=CN=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)S2)C=C1	REAL300013568557	1	51	0.0	-40.99	418.30	10.02	-30.97
CN(C)C(=O)CCN1C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013568635	1	52	0.0	-42.37	407.63	6.00	-36.37
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C3CCCC3)C=C2)CC1	REAL300013568720	1	52	0.0	-36.39	391.35	9.36	-27.03
COC(=O)C1=CC(OC(C)C)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013568838	1	55	0.0	-36.32	427.07	8.04	-28.28
CC1=NC2=C(F)C=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2S1	REAL300013568915	1	44	0.0	-42.34	366.94	6.36	-35.98
COC1=CC(OC)=C2SC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=NC2=C1	REAL300013568999	1	49	0.0	-44.22	399.85	5.73	-38.49
CCC1=C(C)N=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013569059	1	44	0.0	-40.13	356.11	6.81	-33.32
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC=C(CC3CCCOC3)S2)CC1	REAL300013569137	1	52	0.0	-41.17	408.50	7.07	-34.10
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC=C(CC3CCOCC3)S2)CC1	REAL300013569217	1	52	0.0	-40.86	408.57	7.05	-33.81
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC=C(CC3CCOC3)S2)CC1	REAL300013569297	1	49	0.0	-41.54	393.25	6.43	-35.11
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(CC3CCC3)N=C2)CC1	REAL300013569374	1	49	0.0	-45.39	378.71	6.83	-38.56
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(N3CCOCC3=O)=C2)CC1	REAL300013569459	1	51	0.0	-43.03	399.01	5.57	-37.46
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC3=C4C(=C2)CCC(=O)N4CCC3)CC1	REAL300013569541	1	54	0.0	-45.89	406.86	8.22	-37.67
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN3C=C(C4=CC=CC=C4)N=C3C=C2)CC1	REAL300013569616	1	52	0.0	-48.69	416.12	10.25	-38.44
C[NH+]1CCN(C2=CC=C(NC(=O)NCCC(=O)[O-])C(OC(F)F)=C2)CC1	REAL300013569651	0	48	0.0	-76.61	380.11	4.30	-72.31
C[NH+]1CCN(C2=CC=C(NC(=O)NCCCC(=O)[O-])C(OC(F)F)=C2)CC1	REAL300013569652	0	51	0.0	-75.53	401.61	5.10	-70.43
CC(CNC(=O)NC1=CC=C(N2CC[NH+](C)CC2)C=C1OC(F)F)C(=O)[O-]	REAL300013569653	0	51	0.0	-77.81	399.46	5.09	-72.72
C[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CC3)C(OC(F)F)=C2)CC1	REAL300013569654	0	52	0.0	-72.06	407.24	6.04	-66.02
C[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C(OC(F)F)=C2)CC1	REAL300013569655	0	52	0.0	-75.95	407.09	5.65	-70.30
C[NH+]1CCN(C2=CC=C(NC(=O)NC3CC(C(=O)[O-])C3)C(OC(F)F)=C2)CC1	REAL300013569656	0	52	0.0	-77.58	407.39	5.72	-71.86
C[NH+]1CCN(C2=CC=C(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C(OC(F)F)=C2)CC1	REAL300013569657	0	52	0.0	-77.08	406.65	5.71	-71.37
C[NH+]1CCN(C2=CC=C(NC(=O)NCC3(C(=O)[O-])CC3)C(OC(F)F)=C2)CC1	REAL300013569658	0	52	0.0	-72.06	407.24	6.04	-66.02
C[NH+]1CCN(C2=CC=C(NC(=O)N3CCC(C(=O)[O-])C3)C(OC(F)F)=C2)CC1	REAL300013569659	0	52	0.0	-78.06	403.22	6.66	-71.40
CN1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C(F)F)=N1	REAL300013569693	1	42	0.0	-37.81	343.95	4.76	-33.05
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(Cl)=C(F)C=C2F)CC1	REAL300013569775	1	39	0.0	-36.26	334.86	6.83	-29.43
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(C3=CC=CC=C3)=CC=C2F)CC1	REAL300013569864	1	49	0.0	-37.16	385.89	9.65	-27.51
COC(=O)CCN1C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013569945	1	48	0.0	-40.83	386.08	6.53	-34.30
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN(C3CC3(F)F)C=C2)CC1	REAL300013570094	1	43	0.0	-42.72	352.13	6.62	-36.10
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013570143	0	49	0.0	-77.81	373.78	8.67	-69.14
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300013570144	0	49	0.0	-79.28	392.19	8.87	-70.41
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013570145	0	49	0.0	-76.75	396.24	8.23	-68.52
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013570146	0	51	0.0	-69.57	385.02	7.06	-62.51
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013570147	0	47	0.0	-80.10	365.03	7.05	-73.05
CN(CCC(=O)[O-])C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300013570148	0	45	0.0	-80.85	355.37	7.72	-73.13
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013570149	0	52	0.0	-81.29	398.87	7.91	-73.38
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCCCCC(=O)[O-]	REAL300013570150	0	48	0.0	-78.22	379.98	6.92	-71.30
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013570151	0	49	0.0	-79.90	395.93	8.24	-71.66
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCCCCCC(=O)[O-]	REAL300013570152	0	51	0.0	-76.11	401.48	7.70	-68.41
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC(C)(O)C(=O)[O-]	REAL300013570153	0	46	0.0	-73.23	365.07	3.64	-69.59
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013570154	0	48	0.0	-78.37	371.52	6.81	-71.56
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300013570155	0	52	0.0	-81.72	413.58	9.67	-72.05
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013570156	0	49	0.0	-76.15	377.23	8.25	-67.90
CC(CN(C)C(=O)NC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300013570157	0	48	0.0	-83.71	369.70	8.26	-75.45
CC1CC(C(=O)[O-])CN(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)C1	REAL300013570158	0	52	0.0	-54.74	388.23	9.45	-45.29
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013570159	0	52	0.0	-68.91	385.59	8.85	-60.06
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCCCC(=O)[O-]	REAL300013570160	0	45	0.0	-71.24	358.48	6.13	-65.11
CC1CCN(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)CC1C(=O)[O-]	REAL300013570161	0	52	0.0	-58.76	391.66	9.15	-49.61
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013570162	0	53	0.0	-58.70	397.75	6.33	-52.37
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013570163	0	51	0.0	-72.06	390.86	7.02	-65.04
CCC(CC)(CNC(=O)NC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300013570164	0	54	0.0	-59.92	399.05	7.99	-51.93
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013570165	0	49	0.0	-68.57	377.45	7.60	-60.97
CC(CNC(=O)NC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300013570166	0	45	0.0	-76.91	355.53	6.10	-70.81
CC(C)C(CNC(=O)NC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300013570167	0	51	0.0	-60.61	389.02	7.39	-53.22
CC(NC(=O)NC1=CC=CC=C1OCC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013570168	0	58	0.0	-76.93	431.23	8.71	-68.22
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013570169	0	55	0.0	-66.77	421.97	9.69	-57.08
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013570170	0	49	0.0	-70.85	379.88	7.39	-63.46
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013570171	0	55	0.0	-78.08	412.87	10.05	-68.03
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013570172	0	51	0.0	-76.79	390.07	6.87	-69.92
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013570173	0	52	0.0	-68.22	397.58	8.20	-60.02
CC1CN(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)CCC1C(=O)[O-]	REAL300013570174	0	52	0.0	-77.15	385.47	9.33	-67.82
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013570175	0	49	0.0	-66.04	378.64	7.50	-58.54
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013570176	0	52	0.0	-75.42	403.97	8.21	-67.21
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013570177	0	52	0.0	-68.91	385.59	8.85	-60.06
CC(C)C[C@H](CNC(=O)NC1=CC=CC=C1OCC[NH+](C)C)CC(=O)[O-]	REAL300013570178	0	57	0.0	-69.53	424.63	8.51	-61.02
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013570179	0	46	0.0	-63.58	364.12	7.07	-56.51
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013570180	0	49	0.0	-77.31	389.62	8.35	-68.96
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)C1	REAL300013570181	0	53	0.0	-72.01	410.79	7.30	-64.71
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013570182	0	46	0.0	-69.10	364.28	6.71	-62.39
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013570183	0	54	0.0	-74.36	411.39	5.73	-68.63
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013570184	0	49	0.0	-80.60	373.62	8.54	-72.06
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013570185	0	49	0.0	-81.78	374.49	8.62	-73.16
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013570186	0	46	0.0	-72.64	363.77	6.73	-65.91
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013570187	0	46	0.0	-74.89	363.41	6.74	-68.15
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013570188	0	49	0.0	-79.90	395.93	8.24	-71.66
CCC(CNC(=O)NC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300013570189	0	48	0.0	-67.17	371.99	7.03	-60.14
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013570190	0	55	0.0	-86.68	406.23	10.00	-76.68
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013570191	0	57	0.0	-78.52	444.47	9.26	-69.26
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCCCCCCC(=O)[O-]	REAL300013570192	0	54	0.0	-80.02	422.97	8.48	-71.54
CN(CCCC(=O)[O-])C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300013570193	0	48	0.0	-76.67	375.73	8.51	-68.16
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013570194	0	52	0.0	-84.42	388.10	9.37	-75.05
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)C1	REAL300013570195	0	56	0.0	-88.60	420.13	8.53	-80.07
COCCN(CCC(=O)[O-])C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300013570196	0	52	0.0	-57.44	408.50	7.87	-49.57
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013570197	0	55	0.0	-84.04	411.67	9.85	-74.19
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013570198	0	53	0.0	-77.60	406.29	11.04	-66.56
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013570199	0	50	0.0	-67.31	385.17	7.28	-60.03
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300013570200	0	52	0.0	-54.89	387.96	9.19	-45.70
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013570201	0	56	0.0	-70.11	434.04	11.16	-58.95
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013570202	0	50	0.0	-78.85	381.87	6.16	-72.69
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013570203	0	53	0.0	-74.85	418.60	9.46	-65.39
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013570204	0	56	0.0	-85.80	424.01	8.45	-77.35
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1=CN(CC(=O)[O-])C=N1	REAL300013570205	0	46	0.0	-73.19	372.78	8.90	-64.29
COCC1(C(=O)[O-])CCN(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)CC1	REAL300013570206	0	56	0.0	-80.57	416.22	8.78	-71.79
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013570207	0	47	0.0	-80.47	373.52	6.96	-73.51
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013570208	0	58	0.0	-66.89	419.66	8.93	-57.96
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013570209	0	52	0.0	-61.98	395.11	8.35	-53.63
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013570210	0	55	0.0	-76.93	417.15	8.65	-68.28
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013570211	0	52	0.0	-68.84	390.56	9.27	-59.57
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013570212	0	53	0.0	-80.31	407.16	8.70	-71.61
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013570213	0	52	0.0	-74.00	399.53	7.93	-66.07
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013570214	0	52	0.0	-70.37	393.92	8.32	-62.05
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013570215	0	53	0.0	-66.44	400.49	6.51	-59.93
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013570216	0	50	0.0	-60.64	385.62	5.47	-55.17
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1C2CCC1C(C(=O)[O-])C2	REAL300013570217	0	50	0.0	-84.58	381.68	9.11	-75.47
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013570218	0	47	0.0	-73.08	375.40	7.41	-65.67
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013570219	0	46	0.0	-63.58	364.12	7.07	-56.51
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013570220	0	53	0.0	-63.79	401.46	9.39	-54.40
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013570221	0	49	0.0	-72.38	392.58	8.47	-63.91
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013570222	0	50	0.0	-83.44	380.33	7.87	-75.57
COC1CC(C(=O)[O-])CN(C(=O)NC2=CC=CC=C2OCC[NH+](C)C)C1	REAL300013570223	0	53	0.0	-80.70	404.93	7.58	-73.12
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300013570224	0	53	0.0	-83.46	425.33	10.42	-73.04
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N1CCC(C(=O)[O-])C1	REAL300013570225	0	46	0.0	-75.90	358.93	7.69	-68.21
C[NH+](C)CCOC1=CC=CC=C1NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013570226	0	47	0.0	-78.57	374.05	7.44	-71.13
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1(CC(=O)[O-])CCCCC1	REAL300013570227	0	55	0.0	-71.65	402.30	9.41	-62.24
CC(CCC(=O)[O-])NC(=O)NC1=CC=CC=C1OCC[NH+](C)C	REAL300013570228	0	48	0.0	-66.57	377.92	7.15	-59.42
CCC(=O)C1=CC=C(F)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013570282	1	47	0.0	-41.94	374.81	7.52	-34.42
CC1=CC=CC(CC2=CN=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)S2)=C1	REAL300013570365	1	51	0.0	-40.99	418.29	10.01	-30.98
CC(C)NC(=O)CN1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013570442	1	52	0.0	-55.69	410.36	4.14	-51.55
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(CCN3CCCC3=O)N=C2)CC1	REAL300013570528	1	53	0.0	-48.66	416.87	5.84	-42.82
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3OCCNC(=O)C3=C2)CC1	REAL300013570608	1	48	0.0	-53.07	375.27	3.33	-49.74
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(Br)C3=C2CCO3)CC1	REAL300013570692	1	44	0.0	-39.43	362.79	6.58	-32.85
CC1=CC(OC2=CC=CC=N2)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013570827	1	52	0.0	-41.21	412.33	7.42	-33.79
COC(=O)C1=CC(F)=C(OC)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013570905	1	49	0.0	-43.60	399.47	6.41	-37.19
CCOC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(OCC)=C1	REAL300013571032	1	53	0.0	-36.69	408.38	6.71	-29.98
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(CCN3CCOC3=O)N=C2)CC1	REAL300013571115	1	51	0.0	-57.15	407.09	4.93	-52.22
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2CCC2)C(F)(F)F)CC1	REAL300013571188	1	45	0.0	-36.31	354.15	6.24	-30.07
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(F)(F)F	REAL300013571244	1	41	0.0	-36.90	329.16	5.24	-31.66
CC[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(F)(F)F	REAL300013571284	1	41	0.0	-36.40	329.55	5.29	-31.11
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCOCCC2(F)F)CC1	REAL300013571343	1	46	0.0	-36.05	347.47	4.50	-31.55
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCCCC2(F)F)CC1	REAL300013571418	1	48	0.0	-35.41	357.88	6.54	-28.87
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013571499	1	52	0.0	-39.91	409.30	8.12	-31.79
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OCC3CC3)C=C2F)CC1	REAL300013571577	1	50	0.0	-35.89	395.32	8.07	-27.82
C=CCN1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013571637	1	43	0.0	-45.28	343.62	5.32	-39.96
CS(=O)(=O)CCN1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013571757	1	48	0.0	-52.41	394.45	2.28	-50.13
CC(C)(C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1)S(C)(=O)=O	REAL300013571913	1	54	0.0	-50.44	415.70	5.23	-45.21
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(CC3=CC=C(F)C=C3)N=C2)CC1	REAL300013572023	1	49	0.0	-47.91	397.13	7.83	-40.08
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN(C3CCNC3=O)C=C2)CC1	REAL300013572103	1	47	0.0	-43.89	370.65	3.23	-40.66
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC3=CC4=C(C=C3S2)OCO4)CC1	REAL300013572191	1	44	0.0	-40.36	364.97	5.36	-35.00
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C3CCC(=O)N3)C=C2)CC1	REAL300013572273	1	50	0.0	-44.16	390.51	5.66	-38.50
CCC1=CC=C(C(=O)OC)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013572359	1	51	0.0	-42.41	399.94	8.45	-33.96
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(C3CCNC3=O)N=C2)CC1	REAL300013572507	1	47	0.0	-48.46	370.87	2.24	-46.22
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CN=C1OC(F)F	REAL300013572594	1	45	0.0	-41.09	365.21	4.28	-36.81
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C3=NNC4=C3COCC4)=C2)CC1	REAL300013572675	1	54	0.0	-44.21	417.21	6.01	-38.20
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H](C2CC2)C(F)(F)F)CC1	REAL300013572731	1	42	0.0	-41.60	336.71	5.73	-35.87
O=C([O-])C[NH+]1CCC(NC(=O)N[C@H](C2CC2)C(F)(F)F)CC1	REAL300013572794	1	42	0.0	-36.40	329.91	5.55	-30.85
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC=C(C3CCCCO3)S2)CC1	REAL300013572874	1	49	0.0	-40.15	390.35	6.66	-33.49
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NC3=C(CCC3)S2)CC1	REAL300013572941	1	42	0.0	-41.33	339.44	6.74	-34.59
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C	REAL300013573004	1	46	0.0	-37.88	356.44	6.18	-31.70
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=NSN=C2C=C1	REAL300013573098	1	43	0.0	-40.52	346.97	5.73	-34.79
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C3CC3)C=C2)CC1	REAL300013573168	1	46	0.0	-36.77	356.16	8.19	-28.58
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C3=NNC4=C3COCC4)C=C2)CC1	REAL300013573243	1	54	0.0	-42.88	417.16	5.99	-36.89
CCC(C)C1=CSC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013573310	1	47	0.0	-37.17	370.97	6.83	-30.34
COC(=O)C1=CC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C2N1	REAL300013573392	1	49	0.0	-43.62	394.92	6.67	-36.95
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC3=NSN=C3C=C2)CC1	REAL300013573468	1	40	0.0	-39.71	331.34	4.44	-35.27
COC1=C(F)C=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013573591	1	43	0.0	-37.39	345.00	5.76	-31.63
CC1=CN=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C	REAL300013573641	1	44	0.0	-40.15	342.06	7.05	-33.10
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C3=CNN=C3)C=C2)CC1	REAL300013573706	1	46	0.0	-40.50	364.01	6.10	-34.40
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(C3CCCCC3)N=C2)CC1	REAL300013573825	1	52	0.0	-44.11	391.14	7.14	-36.97
COC(=O)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=C1CCCC2	REAL300013573911	1	55	0.0	-40.45	415.01	9.31	-31.14
CC1=C(Br)C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(=O)N1	REAL300013574051	1	42	0.0	-43.37	351.75	5.34	-38.03
CC(C)(C)C1=CN=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013574250	1	50	0.0	-41.25	378.28	6.64	-34.61
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN(CC3=CC=C(F)C=C3)C=C2)CC1	REAL300013574335	1	49	0.0	-41.23	396.94	8.83	-32.40
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H](C2=CC=C(F)C=C2)C(F)F)CC1	REAL300013574417	1	45	0.0	-38.51	365.83	7.39	-31.12
O=C([O-])C[NH+]1CCC(NC(=O)N[C@H](C2=CC=C(F)C=C2)C(F)F)CC1	REAL300013574503	1	45	0.0	-37.88	367.92	7.37	-30.51
COC1=CC=C(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(F)F)C=C1	REAL300013574590	1	49	0.0	-42.76	388.56	6.57	-36.19
CCC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N(C)N=C1	REAL300013574648	1	45	0.0	-40.19	356.30	5.92	-34.27
CN1N=C2CCOCC2=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013574708	1	47	0.0	-40.91	361.84	4.46	-36.45
CN1N=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C1=CC=C(F)C=C1	REAL300013574793	1	49	0.0	-39.76	388.50	8.14	-31.62
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H](C2=CC=CC=C2)C(F)F)CC1	REAL300013574872	1	45	0.0	-36.68	361.59	7.34	-29.34
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C3CCOCC3)C=C2F)CC1	REAL300013574958	1	53	0.0	-36.41	404.80	7.65	-28.76
CC(C)COC1=C(F)C=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013575040	1	52	0.0	-36.92	408.17	8.18	-28.74
CN1CCCC2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C21	REAL300013575123	1	51	0.0	-37.54	381.26	6.71	-30.83
CC1=CC=CC=C1CN1C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013575212	1	52	0.0	-39.65	405.09	9.38	-30.27
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN3CCOCC3=C2)CC1	REAL300013575311	1	44	0.0	-40.17	341.75	4.13	-36.04
C#CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013575388	1	40	0.0	-44.83	329.42	5.41	-39.42
O=C([O-])C[NH+]1CCC(NC(=O)N[C@H](C2=CC=CC=C2)C(F)F)CC1	REAL300013575450	1	45	0.0	-40.57	358.95	7.23	-33.34
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C(F)(F)CF)C=C2)CC1	REAL300013575536	1	45	0.0	-39.83	366.61	7.81	-32.02
CC1=C(C)C2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C2N1	REAL300013575621	1	49	0.0	-38.61	379.73	7.33	-31.28
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(C3CCOC3)=CC=N2)CC1	REAL300013575708	1	49	0.0	-40.62	378.06	6.49	-34.13
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CN=C1Br	REAL300013575794	1	42	0.0	-40.12	352.04	4.22	-35.90
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013575929	1	52	0.0	-45.09	403.85	3.73	-41.36
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(OCC3=NNC=N3)C=C2)CC1	REAL300013576011	1	49	0.0	-45.26	393.10	6.50	-38.76
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013576052	1	43	0.0	-65.09	332.38	7.55	-57.54
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300013576053	1	43	0.0	-65.04	351.14	7.72	-57.32
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013576054	1	43	0.0	-70.11	362.62	5.93	-64.18
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC(C)(C)CCC(=O)[O-]	REAL300013576055	1	45	0.0	-61.27	351.38	4.77	-56.50
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013576056	1	41	0.0	-57.05	324.06	5.95	-51.10
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013576057	1	46	0.0	-62.47	359.49	6.00	-56.47
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013576058	1	43	0.0	-70.21	362.62	5.92	-64.29
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCCCCCC(=O)[O-]	REAL300013576059	1	45	0.0	-66.42	367.84	5.39	-61.03
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013576060	1	53	0.0	-68.95	403.81	10.82	-58.13
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300013576061	1	46	0.0	-66.46	372.54	8.52	-57.94
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013576062	1	43	0.0	-65.90	342.80	5.94	-59.96
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013576063	1	46	0.0	-54.02	352.21	8.02	-46.00
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013576064	1	46	0.0	-66.82	346.50	7.75	-59.07
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013576065	1	46	0.0	-70.00	350.21	7.96	-62.04
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013576066	1	47	0.0	-59.03	364.93	3.99	-55.04
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013576067	1	45	0.0	-63.60	358.13	4.71	-58.89
CCC(CC)(CNC(=O)NC1=C(OC)C=C(C)[NH+]=C1C)C(=O)[O-]	REAL300013576068	1	48	0.0	-59.43	370.46	5.50	-53.93
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC1(CC(=O)[O-])CCC1	REAL300013576069	1	43	0.0	-54.95	337.13	6.30	-48.65
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300013576070	1	54	0.0	-64.02	411.17	8.31	-55.71
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013576071	1	45	0.0	-59.87	360.63	4.97	-54.90
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013576072	1	52	0.0	-70.28	393.33	7.66	-62.62
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013576073	1	49	0.0	-55.45	389.81	7.35	-48.10
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013576074	1	43	0.0	-63.06	346.23	5.10	-57.96
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013576075	1	49	0.0	-68.32	373.90	8.97	-59.35
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013576076	1	45	0.0	-63.08	356.08	4.58	-58.50
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013576077	1	46	0.0	-58.79	363.30	5.88	-52.91
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013576078	1	46	0.0	-67.13	350.77	8.06	-59.07
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013576079	1	43	0.0	-54.96	346.21	5.03	-49.93
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013576080	1	46	0.0	-63.65	363.21	7.14	-56.51
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013576081	1	46	0.0	-66.82	346.50	7.75	-59.07
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013576082	1	51	0.0	-60.41	383.39	7.44	-52.97
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013576083	1	43	0.0	-63.43	356.22	6.04	-57.39
COCC1(C(=O)[O-])CCN(C(=O)NC2=C(OC)C=C(C)[NH+]=C2C)C1	REAL300013576084	1	47	0.0	-70.85	374.22	5.53	-65.32
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013576086	1	53	0.0	-58.62	415.70	8.71	-49.91
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013576087	1	43	0.0	-68.67	333.74	7.46	-61.21
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013576088	1	43	0.0	-68.73	334.76	7.51	-61.22
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013576089	1	43	0.0	-70.21	362.62	5.92	-64.29
COC(=O)C1CC2(C1)CN(C(=O)NC1=C(OC)C=C(C)[NH+]=C1C)CC2C(=O)[O-]	REAL300013576090	1	53	0.0	-57.09	418.13	7.69	-49.40
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013576091	1	49	0.0	-68.74	366.31	8.61	-60.13
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013576092	1	51	0.0	-68.35	410.84	6.95	-61.40
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCCCCCCC(=O)[O-]	REAL300013576093	1	48	0.0	-68.63	389.34	6.17	-62.46
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013576094	1	46	0.0	-69.48	349.61	8.23	-61.25
COCC1(C(=O)[O-])CCCN(C(=O)NC2=C(OC)C=C(C)[NH+]=C2C)C1	REAL300013576095	1	50	0.0	-72.88	381.03	7.39	-65.49
COCCN(CCC(=O)[O-])C(=O)NC1=C(OC)C=C(C)[NH+]=C1C	REAL300013576096	1	46	0.0	-55.45	374.11	5.57	-49.88
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013576097	1	52	0.0	-68.63	413.90	7.92	-60.71
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013576098	1	49	0.0	-68.98	374.62	8.92	-60.06
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013576099	1	47	0.0	-69.72	366.70	9.81	-59.91
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013576100	1	54	0.0	-67.40	421.04	7.09	-60.31
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013576101	1	44	0.0	-59.95	343.83	6.18	-53.77
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013576102	1	46	0.0	-53.20	348.51	7.98	-45.22
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013576103	1	50	0.0	-56.62	400.27	8.87	-47.75
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013576104	1	44	0.0	-67.15	343.42	5.06	-62.09
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013576105	1	47	0.0	-67.02	385.29	7.16	-59.86
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013576106	1	50	0.0	-76.02	385.59	7.37	-68.65
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC1=CN(CC(=O)[O-])C=N1	REAL300013576107	1	40	0.0	-61.46	339.32	6.57	-54.89
COCC1(C(=O)[O-])CCN(C(=O)NC2=C(OC)C=C(C)[NH+]=C2C)CC1	REAL300013576108	1	50	0.0	-66.15	377.87	7.65	-58.50
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013576109	1	41	0.0	-67.78	340.06	4.63	-63.15
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013576110	1	52	0.0	-60.62	378.28	7.85	-52.77
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013576111	1	46	0.0	-62.66	360.83	6.05	-56.61
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013576112	1	49	0.0	-69.06	385.00	6.34	-62.72
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013576113	1	46	0.0	-67.25	351.58	8.19	-59.06
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013576114	1	47	0.0	-67.50	365.98	7.58	-59.92
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013576115	1	46	0.0	-63.49	365.13	5.59	-57.90
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013576116	1	46	0.0	-62.90	360.29	6.02	-56.88
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013576117	1	47	0.0	-56.57	367.17	4.19	-52.38
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013576118	1	44	0.0	-55.58	352.00	3.16	-52.42
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1C2CCC1C(C(=O)[O-])C2	REAL300013576119	1	44	0.0	-64.73	348.32	6.79	-57.94
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013576120	1	55	0.0	-69.19	437.24	8.30	-60.89
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013576121	1	41	0.0	-63.01	341.69	5.08	-57.93
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013576122	1	47	0.0	-60.35	368.13	7.22	-53.13
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013576123	1	43	0.0	-60.38	359.28	6.17	-54.21
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013576124	1	44	0.0	-70.43	341.91	6.74	-63.69
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013576125	1	47	0.0	-71.44	362.98	6.55	-64.89
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300013576126	1	47	0.0	-69.61	384.43	9.21	-60.40
COC1=CC(C)=[NH+]C(C)=C1NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013576127	1	41	0.0	-68.99	340.98	5.10	-63.89
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC1(CC(=O)[O-])CCCCC1	REAL300013576128	1	49	0.0	-53.78	363.16	8.13	-45.65
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC3=C(C=C2Cl)OCCC3)CC1	REAL300013576169	1	47	0.0	-36.32	374.44	7.36	-28.96
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN=NN2C2CC2)CC1	REAL300013576282	1	42	0.0	-43.67	334.41	5.08	-38.59
CC1=C(Br)C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C	REAL300013576353	1	45	0.0	-37.36	360.22	8.09	-29.27
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=NN2CCN2CCOCC2)CC1	REAL300013576433	1	55	0.0	-41.03	417.56	4.17	-36.86
COC(=O)C1(C2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2)CCC1	REAL300013576513	1	55	0.0	-40.00	421.91	9.21	-30.79
CC1=NN(CC2=CC=CC=C2)C(C)=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013576588	1	55	0.0	-41.21	426.18	8.53	-32.68
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(C3CCC(=O)NC3)N=C2)CC1	REAL300013576745	1	50	0.0	-49.50	387.48	3.14	-46.36
CCOC(=O)C1CCC2=C1N=C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)S2	REAL300013576828	1	51	0.0	-40.64	413.06	7.83	-32.81
CC1=CC2=CC=CN=C2C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013576966	1	47	0.0	-37.93	367.79	7.36	-30.57
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C(C)C=C1Cl	REAL300013577042	1	45	0.0	-36.94	359.93	8.07	-28.87
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2OCC2CCCCC2)CC1	REAL300013577201	1	59	0.0	-35.50	440.28	9.90	-25.60
CC(C)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(F)=C1	REAL300013577271	1	48	0.0	-35.33	372.47	8.18	-27.15
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(N3CCSCC3)=N2)CC1	REAL300013577355	1	51	0.0	-40.27	398.18	8.17	-32.10
N#CC1=CC=CC(CC2=CN=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)S2)=C1	REAL300013577577	1	49	0.0	-45.27	417.75	9.73	-35.54
CCCOC1=C(F)C=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013577647	1	49	0.0	-37.03	388.06	7.50	-29.53
CCCOC1=CC=C(F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013577730	1	49	0.0	-36.98	384.39	7.34	-29.64
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C3CCC(F)(F)CC3)=C2)CC1	REAL300013577814	1	55	0.0	-39.11	420.16	10.06	-29.05
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC3=CC=CC=C3C=C2Cl)CC1	REAL300013577891	1	45	0.0	-36.49	367.68	9.04	-27.45
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=NN2C2CC2(F)F)CC1	REAL300013578138	1	43	0.0	-43.63	350.33	6.77	-36.86
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC(F)=C(F)C(C(F)F)=C2)CC1	REAL300013578227	1	42	0.0	-45.55	349.83	7.08	-38.47
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC3=C2CCOC3)CC1	REAL300013578306	1	47	0.0	-37.76	357.11	6.35	-31.41
COC(=O)C1(C2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)CCC1	REAL300013578495	1	55	0.0	-43.17	427.96	9.23	-33.94
CN1CCCC2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C21	REAL300013578570	1	51	0.0	-38.28	378.10	7.15	-31.13
CN1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C2CCC2)=N1	REAL300013578725	1	49	0.0	-38.91	377.44	6.61	-32.30
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN=C(N3CCOCC3)N=C2)CC1	REAL300013578863	1	50	0.0	-45.44	384.94	4.49	-40.95
CC1=CC=CC=C1OC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013578949	1	53	0.0	-39.05	415.09	9.65	-29.40
CC1=NC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=N1	REAL300013579003	1	43	0.0	-44.50	336.30	4.89	-39.61
CN1C=CC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C21	REAL300013579122	1	46	0.0	-43.22	360.79	7.88	-35.34
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=NN1CC1=CC=CC=C1	REAL300013579205	1	52	0.0	-40.27	409.85	9.23	-31.04
COC1=CC(F)=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1Cl	REAL300013579289	1	43	0.0	-37.20	357.80	6.11	-31.09
COC1=CC=C([C@H](NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(F)F)C=C1	REAL300013579511	1	49	0.0	-38.15	391.08	6.62	-31.53
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC3=CC=NC=C3C=C2)CC1	REAL300013579636	1	44	0.0	-39.51	348.40	6.65	-32.86
CCCSC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013579714	1	49	0.0	-38.89	390.39	8.80	-30.09
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C(F)F)=C2)CC1	REAL300013579788	1	42	0.0	-37.74	339.05	6.99	-30.75
CN1C=NC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C2C1=O	REAL300013579867	1	47	0.0	-45.82	373.03	6.82	-39.00
COC1=CC(OC(C)C)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013579964	1	53	0.0	-37.01	405.31	6.43	-30.58
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(C3CCS(=O)(=O)C3)N=C2)CC1	REAL300013580050	1	49	0.0	-54.77	392.25	2.52	-52.25
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC=C2C2CC2)CC1	REAL300013580111	1	46	0.0	-36.47	353.08	8.40	-28.07
N#CC1=CN(C2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2)N=C1	REAL300013580191	1	47	0.0	-41.96	386.51	7.75	-34.21
CC(C)C1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C(F)(F)F	REAL300013580274	1	51	0.0	-39.53	399.88	8.86	-30.67
CC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C(Cl)C=C1C1CC1	REAL300013580351	1	49	0.0	-35.29	387.69	9.34	-25.95
CC1=CC=C(C(C)C)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013580430	1	51	0.0	-36.74	385.37	8.94	-27.80
COC(=O)CN1C=CC2=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C21	REAL300013580512	1	52	0.0	-48.39	417.07	9.05	-39.34
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN=C(C3CCCC3)N=C2)CC1	REAL300013580585	1	50	0.0	-39.25	382.84	6.59	-32.66
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(F)=C2OC(F)(F)F)CC1	REAL300013580673	1	43	0.0	-37.22	361.69	6.49	-30.73
NC(=O)C1=CC(Cl)=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013580752	1	43	0.0	-48.51	358.14	3.42	-45.09
CC1=NC(C2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2)=CO1	REAL300013580868	1	48	0.0	-41.01	383.64	5.19	-35.82
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN=C3C=C(Br)C=CN23)CC1	REAL300013581011	1	42	0.0	-42.31	354.62	8.20	-34.11
CC1=CN2C=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=CC2=N1	REAL300013581081	1	45	0.0	-47.18	358.66	7.27	-39.91
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C3CNS(=O)(=O)C3=C2)CC1	REAL300013581163	1	45	0.0	-48.08	365.28	1.54	-46.54
CC1=CN(C(F)F)N=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013581240	1	42	0.0	-40.98	346.03	5.99	-34.99
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(C3=CC=NC(F)=C3)N=C2)CC1	REAL300013581324	1	45	0.0	-45.02	366.91	5.51	-39.51
CCOC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(OCC)=C1	REAL300013581410	1	53	0.0	-43.44	409.83	6.54	-36.90
CC(C)C1=CC=C(Cl)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013581547	1	48	0.0	-34.95	380.94	8.66	-26.29
CCC1=NC(C2=CC=CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)=NO1	REAL300013581634	1	50	0.0	-43.85	401.00	6.24	-37.61
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(C=CC(F)(F)F)=C2)CC1	REAL300013581718	1	46	0.0	-38.06	377.64	8.39	-29.67
CC(C)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300013581801	1	51	0.0	-37.83	399.88	8.86	-28.97
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=C(C=CC(F)(F)F)C=C2)CC1	REAL300013581879	1	46	0.0	-38.14	377.32	8.44	-29.70
C=C(C)C1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300013581963	1	49	0.0	-38.28	395.37	8.74	-29.54
CC1=CC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C(=O)NC1CC1	REAL300013582042	1	53	0.0	-41.62	411.36	6.82	-34.80
CC1=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=CC=C1S(C)(=O)=O	REAL300013582143	1	48	0.0	-45.90	375.24	4.46	-41.44
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013582226	1	51	0.0	-37.87	403.22	9.26	-28.61
CCCN1C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013582277	1	45	0.0	-39.14	352.12	6.52	-32.62
COC(=O)CN1C=CC2=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=CC=C21	REAL300013582343	1	52	0.0	-44.13	416.68	9.07	-35.06
CN1C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C2CCCC2)=N1	REAL300013582418	1	52	0.0	-38.83	394.43	7.12	-31.71
COC1=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1S(N)(=O)=O	REAL300013582556	1	48	0.0	-46.53	389.61	0.83	-45.70
COC(=O)C1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013582625	1	45	0.0	-43.49	361.68	6.79	-36.70
COC(=O)C1(C2=CC=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2)CC1	REAL300013582737	1	52	0.0	-41.22	405.50	8.77	-32.45
COC(=O)C1=C(C)C=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013582819	1	48	0.0	-48.42	388.97	7.43	-40.99
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(CC3=NC=CC=N3)N=C2)CC1	REAL300013582935	1	47	0.0	-49.48	380.69	5.01	-44.47
COC(=O)C1=NC=CC2=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=CC=C21	REAL300013583019	1	50	0.0	-43.19	395.04	7.26	-35.93
CCSC1=CC(C(=O)OC)=CC=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013583095	1	52	0.0	-38.76	420.17	8.76	-30.00
COCC1=NC=C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=N1	REAL300013583165	1	47	0.0	-46.42	369.94	3.86	-42.56
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC=CC(OC3CCC3)=C2)CC1	REAL300013583247	1	50	0.0	-39.46	385.04	7.75	-31.71
COC1=CC2=C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=CC=C2C=C1	REAL300013583335	1	49	0.0	-38.44	378.89	7.86	-30.58
O=C([O-])C[NH+]1CCC(NC(=O)NC2=C(C3=CC=C(Cl)C=C3)SC=C2)CC1	REAL300013583470	1	46	0.0	-38.10	390.63	9.54	-28.56
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CN(C3=NC=CC=C3Cl)N=C2)CC1	REAL300013583548	1	45	0.0	-42.16	375.54	7.25	-34.91
O=C([O-])C[NH+]1CCC(NC(=O)NC2=CC3=C(C=C2F)NC(=O)CO3)CC1	REAL300013583630	1	45	0.0	-39.98	363.06	3.50	-36.48
CC1=NN(C)C(C(F)F)=C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013583715	1	45	0.0	-44.25	358.41	5.24	-39.01
O=C([O-])C[NH+]1CCC(NC(=O)NC2=NN=C3C=CC(Cl)=CN32)CC1	REAL300013583801	1	41	0.0	-46.11	347.45	9.62	-36.49
CC1=CC=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C(F)(F)F	REAL300013583885	1	45	0.0	-35.81	356.57	8.16	-27.65
CC(C)CN1C=CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013584093	1	48	0.0	-38.87	371.93	7.29	-31.58
O=C([O-])C[NH+]1CCC(NC(=O)NCCCSC2=CC=CC=C2)CC1	REAL300013584196	1	49	0.0	-37.55	394.55	8.23	-29.32
O=C([O-])C[NH+]1CCC(NC(=O)NCCCSC2=CC=C(F)C=C2)CC1	REAL300013584271	1	49	0.0	-37.92	400.95	8.30	-29.62
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C3OCCOC3=C2)CC1	REAL300013584344	1	48	0.0	-38.77	377.64	5.43	-33.34
CC1=CC=C(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=CC=C2)C=C1	REAL300013584419	1	55	0.0	-37.34	429.45	10.99	-26.35
O=C([O-])C[NH+]1CCC(NC(=O)NCCC(=O)N2CCCC2)CC1	REAL300013584477	1	49	0.0	-49.75	378.42	4.81	-44.94
O=C([O-])C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300013584545	1	55	0.0	-38.03	431.64	11.32	-26.71
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=CS2)C2=CC=CC=C2)CC1	REAL300013584639	1	49	0.0	-36.51	399.96	9.25	-27.26
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC(S(N)(=O)=O)=C1	REAL300013584712	1	50	0.0	-44.68	404.88	2.06	-42.62
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NN=C2C=CC=CN21	REAL300013584781	1	47	0.0	-42.55	374.09	7.27	-35.28
COC1=CC=C(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2CC2)C=C1	REAL300013584857	1	53	0.0	-37.04	402.18	8.20	-28.84
CS(=O)(=O)N1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013584932	1	50	0.0	-44.65	390.00	2.34	-42.31
O=C([O-])C[NH+]1CCC(NC(=O)NCCNC(=O)C2=CC=CO2)CC1	REAL300013585003	1	46	0.0	-41.34	373.56	2.70	-38.64
COC1=CC=C(OCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013585074	1	50	0.0	-38.56	392.15	5.14	-33.42
O=C([O-])C[NH+]1CCC(NC(=O)NCCCCOC2=CC=C(F)C=C2)CC1	REAL300013585148	1	52	0.0	-39.20	412.13	7.45	-31.75
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(CN3C=CC=N3)C=C2)CC1	REAL300013585223	1	52	0.0	-40.48	416.91	7.92	-32.56
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCSC3=C(F)C=CC=C32)CC1	REAL300013585349	1	47	0.0	-39.57	371.79	7.44	-32.13
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=CC=C2)C2CC2)CC1	REAL300013585512	1	49	0.0	-35.14	375.58	8.45	-26.69
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300013585556	0	48	0.0	-72.37	369.85	8.84	-63.53
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013585557	0	48	0.0	-77.95	393.93	8.47	-69.48
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300013585558	0	46	0.0	-66.86	362.98	7.29	-59.57
C[NH+](C)CC1=CC=CC(CNC(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300013585559	0	51	0.0	-68.64	392.14	8.58	-60.06
C[NH+](C)CC1=CC=CC(CNC(=O)NCCCCC(=O)[O-])=C1	REAL300013585560	0	47	0.0	-77.57	377.72	7.13	-70.44
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013585561	0	48	0.0	-80.48	393.99	8.45	-72.03
C[NH+](C)CC1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013585562	0	50	0.0	-76.24	399.17	7.92	-68.32
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C1	REAL300013585563	0	58	0.0	-73.55	442.43	11.95	-61.60
C[NH+](C)CC1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013585564	0	47	0.0	-77.70	369.58	7.03	-70.67
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300013585565	0	48	0.0	-82.69	374.17	8.48	-74.21
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C1	REAL300013585566	0	51	0.0	-64.50	386.40	9.66	-54.84
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013585567	0	51	0.0	-73.89	384.09	9.16	-64.73
CC1CCN(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)CC1C(=O)[O-]	REAL300013585568	0	51	0.0	-61.98	380.44	9.08	-52.90
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013585569	0	52	0.0	-68.93	397.26	6.33	-62.60
C[NH+](C)CC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013585570	0	50	0.0	-73.25	389.51	7.24	-66.01
CCC(CC)(CNC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300013585571	0	53	0.0	-64.89	397.11	8.20	-56.69
CC(C)C(CNC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300013585572	0	50	0.0	-70.32	385.70	7.65	-62.67
CC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013585573	0	57	0.0	-77.84	432.14	9.39	-68.45
C[NH+](C)CC1=CC=CC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013585574	0	54	0.0	-68.38	425.05	9.69	-58.69
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013585575	0	48	0.0	-72.55	377.86	7.65	-64.90
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)=C1	REAL300013585576	0	54	0.0	-75.85	410.70	10.31	-65.54
C[NH+](C)CC1=CC=CC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1	REAL300013585577	0	50	0.0	-81.60	387.66	7.00	-74.60
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013585578	0	51	0.0	-71.49	394.68	8.40	-63.09
CC1CN(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)CCC1C(=O)[O-]	REAL300013585579	0	51	0.0	-74.98	383.25	9.57	-65.41
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013585580	0	48	0.0	-68.97	377.56	7.57	-61.40
C[NH+](C)CC1=CC=CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013585581	0	51	0.0	-75.68	401.74	8.34	-67.34
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013585582	0	51	0.0	-73.89	384.09	9.16	-64.73
CC(C)C[C@H](CNC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)CC(=O)[O-]	REAL300013585583	0	56	0.0	-72.51	422.69	8.74	-63.77
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013585584	0	48	0.0	-78.77	387.56	8.56	-70.21
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C1	REAL300013585585	0	52	0.0	-82.08	407.90	7.54	-74.54
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013585586	0	45	0.0	-73.91	361.35	6.93	-66.98
C[NH+](C)CC1=CC=CC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)=C1	REAL300013585587	0	53	0.0	-74.80	409.68	6.00	-68.80
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3=CC(C[NH+](C)C)=CC=C3)C2)C=N1	REAL300013585588	0	58	0.0	-81.96	453.33	10.14	-71.82
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013585589	0	48	0.0	-62.52	370.08	8.83	-53.69
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013585590	0	48	0.0	-79.64	370.64	8.87	-70.77
C[NH+](C)CC1=CC=CC(CNC(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013585591	0	45	0.0	-73.94	361.64	6.93	-67.01
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013585592	0	45	0.0	-75.24	361.42	6.97	-68.27
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013585593	0	48	0.0	-80.48	393.99	8.45	-72.03
CCC(CNC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300013585594	0	47	0.0	-67.53	375.17	7.03	-60.50
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCCCC2CCC(=O)[O-])=C1	REAL300013585595	0	54	0.0	-84.94	404.01	10.23	-74.71
C[NH+](C)CC1=CC=CC(CNC(=O)NCCCCCCCC(=O)[O-])=C1	REAL300013585596	0	56	0.0	-78.08	442.22	9.48	-68.60
C[NH+](C)CC1=CC=CC(CNC(=O)NCCCCCCC(=O)[O-])=C1	REAL300013585597	0	53	0.0	-79.02	420.67	8.71	-70.31
CN(CCCC(=O)[O-])C(=O)NCC1=CC(C[NH+](C)C)=CC=C1	REAL300013585598	0	47	0.0	-76.12	373.80	8.77	-67.35
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300013585599	0	51	0.0	-80.64	385.50	9.61	-71.03
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C1	REAL300013585600	0	55	0.0	-84.72	417.64	8.75	-75.97
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300013585601	0	51	0.0	-64.59	405.54	8.11	-56.48
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300013585602	0	54	0.0	-80.32	411.00	10.28	-70.04
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300013585603	0	52	0.0	-80.74	403.31	11.61	-69.13
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)=C1	REAL300013585604	0	49	0.0	-70.11	383.18	7.61	-62.50
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300013585605	0	51	0.0	-62.94	385.89	9.45	-53.49
C[NH+](C)CC1=CC=CC(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1	REAL300013585606	0	55	0.0	-66.92	432.77	11.37	-55.55
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013585607	0	49	0.0	-77.06	380.28	6.41	-70.65
C[NH+](C)CC1=CC=CC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300013585608	0	52	0.0	-76.30	416.61	9.70	-66.60
C[NH+](C)CC1=CC=CC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)=C1	REAL300013585609	0	55	0.0	-95.36	422.25	8.69	-86.67
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)CC1	REAL300013585610	0	55	0.0	-74.19	415.46	8.26	-65.93
C[NH+](C)CC1=CC=CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013585611	0	46	0.0	-79.31	371.43	7.14	-72.17
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300013585612	0	57	0.0	-76.63	417.57	9.14	-67.49
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013585613	0	51	0.0	-72.93	390.81	8.55	-64.38
C[NH+](C)CC1=CC=CC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300013585614	0	54	0.0	-77.62	416.32	8.88	-68.74
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300013585615	0	51	0.0	-76.29	388.39	9.53	-66.76
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)=C1	REAL300013585616	0	52	0.0	-75.64	404.93	8.92	-66.72
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013585617	0	51	0.0	-74.88	396.03	8.15	-66.73
C[NH+](C)CC1=CC=CC(CNC(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300013585618	0	51	0.0	-74.90	396.04	8.15	-66.75
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300013585619	0	52	0.0	-69.35	398.56	6.71	-62.64
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300013585620	0	49	0.0	-65.95	383.32	5.70	-60.25
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C1	REAL300013585621	0	60	0.0	-77.35	468.62	10.84	-66.51
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013585622	0	46	0.0	-75.12	372.79	7.66	-67.46
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013585623	0	45	0.0	-67.47	361.82	7.30	-60.17
C[NH+](C)CC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300013585624	0	52	0.0	-68.90	399.65	9.68	-59.22
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300013585625	0	48	0.0	-68.14	390.68	8.70	-59.44
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013585626	0	49	0.0	-80.55	378.49	8.08	-72.47
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC(C[NH+](C)C)=C2)C1	REAL300013585627	0	52	0.0	-64.73	402.45	7.97	-56.76
C[NH+](C)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013585628	0	45	0.0	-75.57	357.30	7.93	-67.64
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013585629	0	46	0.0	-78.38	372.47	7.66	-70.72
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1	REAL300013585630	0	47	0.0	-72.54	375.93	7.38	-65.16
CC(C)CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013585662	1	54	0.0	-35.42	406.46	8.93	-26.49
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCC3=CC=CC=C32)CC1	REAL300013585737	1	52	0.0	-37.29	389.68	8.61	-28.68
O=C([O-])C1=CC=C(CNC(=O)NC2CC[N@@H+]3CCCC3C2)C=C1	REAL300013585808	0	46	0.0	-74.15	359.84	7.25	-66.90
O=C([O-])C1=CC=C(CNC(=O)NC2CC[N@H+]3CCCC3C2)C=C1	REAL300013585808	1	46	0.0	-74.06	359.96	7.20	-66.86
O=C([O-])C1CCC(NC(=O)NC2CC[N@@H+]3CCCC3C2)CC1	REAL300013585809	0	49	0.0	-66.11	353.35	7.47	-58.64
O=C([O-])C1CCC(NC(=O)NC2CC[N@H+]3CCCC3C2)CC1	REAL300013585809	1	49	0.0	-74.57	362.58	6.88	-67.69
O=C([O-])C1=CC(CNC(=O)NC2CC[N@@H+]3CCCC3C2)=CC=C1	REAL300013585810	0	46	0.0	-75.12	356.36	7.45	-67.67
O=C([O-])C1=CC(CNC(=O)NC2CC[N@H+]3CCCC3C2)=CC=C1	REAL300013585810	1	46	0.0	-72.88	359.96	7.25	-65.63
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NC2CC[N@@H+]3CCCC3C2)CC1	REAL300013585811	0	56	0.0	-75.30	410.42	11.28	-64.02
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NC2CC[N@H+]3CCCC3C2)CC1	REAL300013585811	1	56	0.0	-78.36	410.16	11.30	-67.06
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300013585812	0	49	0.0	-60.06	353.37	8.49	-51.57
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300013585812	1	49	0.0	-55.49	348.61	8.63	-46.86
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+]3CCCC3C2)CC1	REAL300013585813	0	49	0.0	-73.67	345.74	8.02	-65.65
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+]3CCCC3C2)CC1	REAL300013585813	1	49	0.0	-72.42	349.23	7.86	-64.56
CC1CCN(C(=O)NC2CC[N@@H+]3CCCC3C2)CC1C(=O)[O-]	REAL300013585814	0	49	0.0	-56.56	343.63	8.01	-48.55
CC1CCN(C(=O)NC2CC[N@H+]3CCCC3C2)CC1C(=O)[O-]	REAL300013585814	1	49	0.0	-76.55	356.15	8.18	-68.37
O=C([O-])C1(CNC(=O)NC2CC[N@@H+]3CCCC3C2)CCOCC1	REAL300013585815	0	50	0.0	-62.48	360.66	5.29	-57.19
O=C([O-])C1(CNC(=O)NC2CC[N@H+]3CCCC3C2)CCOCC1	REAL300013585815	1	50	0.0	-59.47	358.74	5.50	-53.97
CCC(CC)(CNC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300013585816	0	51	0.0	-62.26	367.67	6.83	-55.43
CCC(CC)(CNC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300013585816	1	51	0.0	-63.30	365.87	6.72	-56.58
CC(NC(=O)NC1CC[N@@H+]2CCCC2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013585817	0	55	0.0	-73.79	398.59	7.81	-65.98
CC(NC(=O)NC1CC[N@H+]2CCCC2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013585817	1	55	0.0	-75.86	393.08	8.08	-67.78
CC(CNC(=O)NC1CC[N@@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013585818	0	52	0.0	-60.29	385.57	8.70	-51.59
CC(CNC(=O)NC1CC[N@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013585818	1	52	0.0	-64.61	391.07	8.42	-56.19
O=C([O-])CCC1CCN(C(=O)NC2CC[N@@H+]3CCCC3C2)CC1	REAL300013585819	0	52	0.0	-73.94	372.90	9.22	-64.72
O=C([O-])CCC1CCN(C(=O)NC2CC[N@H+]3CCCC3C2)CC1	REAL300013585819	1	52	0.0	-73.23	373.07	9.28	-63.95
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[N@@H+]3CCCC3C1)C2	REAL300013585820	0	48	0.0	-70.74	349.94	6.06	-64.68
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[N@H+]3CCCC3C1)C2	REAL300013585820	1	48	0.0	-69.98	353.59	5.78	-64.20
O=C([O-])C1(CNC(=O)NC2CC[N@@H+]3CCCC3C2)CCCC1	REAL300013585821	0	49	0.0	-62.46	358.22	7.28	-55.18
O=C([O-])C1(CNC(=O)NC2CC[N@H+]3CCCC3C2)CCCC1	REAL300013585821	1	49	0.0	-59.19	357.11	7.40	-51.79
CC1CN(C(=O)NC2CC[N@@H+]3CCCC3C2)CCC1C(=O)[O-]	REAL300013585822	0	49	0.0	-68.65	350.88	8.42	-60.23
CC1CN(C(=O)NC2CC[N@H+]3CCCC3C2)CCC1C(=O)[O-]	REAL300013585822	1	49	0.0	-69.12	349.09	8.33	-60.79
O=C([O-])CC(CNC(=O)NC1CC[N@@H+]2CCCC2C1)C1CC1	REAL300013585823	0	49	0.0	-68.73	359.83	7.80	-60.93
O=C([O-])CC(CNC(=O)NC1CC[N@H+]2CCCC2C1)C1CC1	REAL300013585823	1	49	0.0	-69.24	359.89	7.77	-61.47
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+]3CCCC3C2)CC1	REAL300013585824	0	49	0.0	-73.67	345.74	8.02	-65.65
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+]3CCCC3C2)CC1	REAL300013585824	1	49	0.0	-72.42	349.23	7.86	-64.56
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+]2CCCC2C1)CC(=O)[O-]	REAL300013585825	0	54	0.0	-63.80	390.64	7.91	-55.89
CC(C)C[C@H](CNC(=O)NC1CC[N@H+]2CCCC2C1)CC(=O)[O-]	REAL300013585825	1	54	0.0	-65.46	390.52	7.93	-57.53
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300013585826	0	46	0.0	-69.05	350.10	7.51	-61.54
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@H+]2CCCC2C1	REAL300013585826	1	46	0.0	-63.36	349.99	7.53	-55.83
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300013585827	0	50	0.0	-73.34	367.44	7.30	-66.04
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300013585827	1	50	0.0	-69.75	372.60	6.95	-62.80
O=C([O-])CN1CCC(NC(=O)NC2CC[N@@H+]3CCCC3C2)CC1	REAL300013585828	0	51	0.0	-70.32	375.68	4.73	-65.59
O=C([O-])CN1CCC(NC(=O)NC2CC[N@H+]3CCCC3C2)CC1	REAL300013585828	1	51	0.0	-70.89	372.16	4.99	-65.90
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC3CC[N@@H+]4CCCC4C3)C2)C=N1	REAL300013585829	0	56	0.0	-67.77	413.97	8.94	-58.83
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC3CC[N@H+]4CCCC4C3)C2)C=N1	REAL300013585829	1	56	0.0	-69.82	411.20	9.14	-60.68
O=C([O-])C1=CC(CNC(=O)NC2CC[N@@H+]3CCCC3C2)=CC=C1	REAL300013585830	0	46	0.0	-75.12	356.36	7.45	-67.67
O=C([O-])C1=CC(CNC(=O)NC2CC[N@H+]3CCCC3C2)=CC=C1	REAL300013585830	1	46	0.0	-72.88	359.96	7.25	-65.63
COC(=O)C1CC2(C1)CN(C(=O)NC1CC[N@@H+]3CCCC3C1)CC2C(=O)[O-]	REAL300013585831	0	56	0.0	-66.47	414.33	8.89	-57.58
COC(=O)C1CC2(C1)CN(C(=O)NC1CC[N@H+]3CCCC3C1)CC2C(=O)[O-]	REAL300013585831	1	56	0.0	-65.66	414.39	8.89	-56.77
O=C([O-])CCC1CCCCN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300013585832	0	52	0.0	-78.41	366.84	9.18	-69.23
O=C([O-])CCC1CCCCN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300013585832	1	52	0.0	-75.37	370.52	8.97	-66.40
O=C([O-])CCCCCCCNC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300013585833	0	54	0.0	-73.28	408.07	8.27	-65.01
O=C([O-])CCCCCCCNC(=O)NC1CC[N@H+]2CCCC2C1	REAL300013585833	1	54	0.0	-73.25	408.19	8.22	-65.03
O=C([O-])CCCCCCNC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300013585834	0	51	0.0	-74.02	386.57	7.49	-66.53
O=C([O-])CCCCCCNC(=O)NC1CC[N@H+]2CCCC2C1	REAL300013585834	1	51	0.0	-73.80	386.69	7.44	-66.36
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300013585835	0	49	0.0	-59.48	351.29	8.35	-51.13
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300013585835	1	49	0.0	-77.65	348.40	8.54	-69.11
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300013585836	0	53	0.0	-81.88	380.21	7.68	-74.20
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300013585836	1	53	0.0	-82.35	380.28	7.71	-74.64
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300013585837	0	49	0.0	-57.28	371.39	6.87	-50.41
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@H+]2CCCC2C1	REAL300013585837	1	49	0.0	-58.35	371.51	6.83	-51.52
O=C([O-])[C@]12CN(C(=O)NC3CC[N@@H+]4CCCC4C3)C[C@H]1C1=CC=CC=C1OC2	REAL300013585838	0	55	0.0	-77.32	409.43	9.03	-68.29
O=C([O-])[C@]12CN(C(=O)NC3CC[N@H+]4CCCC4C3)C[C@H]1C1=CC=CC=C1OC2	REAL300013585838	1	55	0.0	-78.92	405.62	9.31	-69.61
O=C([O-])CCC1CCCN(C(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300013585839	0	52	0.0	-76.56	373.30	9.20	-67.36
O=C([O-])CCC1CCCN(C(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300013585839	1	52	0.0	-74.48	376.95	9.00	-65.48
O=C([O-])C1CN(C(=O)NC2CC[N@@H+]3CCCC3C2)CC2=CC=CC=C21	REAL300013585840	0	50	0.0	-74.99	368.12	10.00	-64.99
O=C([O-])C1CN(C(=O)NC2CC[N@H+]3CCCC3C2)CC2=CC=CC=C21	REAL300013585840	1	50	0.0	-80.73	368.37	10.09	-70.64
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2CC[N@@H+]3CCCC3C2)CCO1	REAL300013585841	0	57	0.0	-74.09	424.79	7.85	-66.24
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2CC[N@H+]3CCCC3C2)CCO1	REAL300013585841	1	57	0.0	-72.76	426.61	7.19	-65.57
O=C([O-])C(=O)N1CCN(C(=O)NC2CC[N@@H+]3CCCC3C2)CC1	REAL300013585842	0	47	0.0	-66.14	345.61	6.55	-59.59
O=C([O-])C(=O)N1CCN(C(=O)NC2CC[N@H+]3CCCC3C2)CC1	REAL300013585842	1	47	0.0	-68.58	348.69	6.29	-62.29
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[N@@H+]2CCCC2C1	REAL300013585843	0	49	0.0	-58.03	351.95	8.17	-49.86
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[N@H+]2CCCC2C1	REAL300013585843	1	49	0.0	-58.58	351.87	8.09	-50.49
O=C([O-])[C@@H]1CN(C(=O)NC2CC[N@@H+]3CCCC3C2)C[C@H]1C1=CC=CC=C1	REAL300013585844	0	53	0.0	-61.48	397.61	10.18	-51.30
O=C([O-])[C@@H]1CN(C(=O)NC2CC[N@H+]3CCCC3C2)C[C@H]1C1=CC=CC=C1	REAL300013585844	1	53	0.0	-64.63	399.43	10.17	-54.46
O=C([O-])C1(O)CCCN(C(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300013585845	0	47	0.0	-73.65	342.55	5.33	-68.32
O=C([O-])C1(O)CCCN(C(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300013585845	1	47	0.0	-74.73	342.70	5.38	-69.35
O=C([O-])C1CC(NC(=O)NC2CC[N@@H+]3CCCC3C2)C2=CC=CC=C21	REAL300013585846	0	50	0.0	-69.93	378.79	8.33	-61.60
O=C([O-])C1CC(NC(=O)NC2CC[N@H+]3CCCC3C2)C2=CC=CC=C21	REAL300013585846	1	50	0.0	-69.75	375.33	8.55	-61.20
O=C([O-])CN1CCCCC(NC(=O)NC2CC[N@@H+]3CCCC3C2)C1=O	REAL300013585847	0	53	0.0	-78.22	384.80	7.63	-70.59
O=C([O-])CN1CCCCC(NC(=O)NC2CC[N@H+]3CCCC3C2)C1=O	REAL300013585847	1	53	0.0	-81.29	395.83	6.61	-74.68
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+]3CCCC3C2)CC1	REAL300013585848	0	53	0.0	-75.98	376.72	7.97	-68.01
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+]3CCCC3C2)CC1	REAL300013585848	1	53	0.0	-74.48	377.82	7.23	-67.25
O=C([O-])CC1(CNC(=O)NC2CC[N@@H+]3CCCC3C2)CCCCC1	REAL300013585849	0	55	0.0	-67.52	383.63	7.85	-59.67
O=C([O-])CC1(CNC(=O)NC2CC[N@H+]3CCCC3C2)CCCCC1	REAL300013585849	1	55	0.0	-65.82	383.58	7.89	-57.93
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2CC[N@@H+]3CCCC3C2)CC1	REAL300013585850	0	49	0.0	-66.47	358.04	7.34	-59.13
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2CC[N@H+]3CCCC3C2)CC1	REAL300013585850	1	49	0.0	-66.32	356.76	7.31	-59.01
O=C([O-])[C@H]1CC[C@H](CNC(=O)NC2CC[N@@H+]3CCCC3C2)CC1	REAL300013585851	0	52	0.0	-73.64	382.37	7.62	-66.02
O=C([O-])[C@H]1CC[C@H](CNC(=O)NC2CC[N@H+]3CCCC3C2)CC1	REAL300013585851	1	52	0.0	-72.89	381.06	7.58	-65.31
O=C([O-])CC1CCN(C(=O)NC2CC[N@@H+]3CCCC3C2)CC1	REAL300013585852	0	49	0.0	-73.54	350.59	8.45	-65.09
O=C([O-])CC1CCN(C(=O)NC2CC[N@H+]3CCCC3C2)CC1	REAL300013585852	1	49	0.0	-65.53	350.75	8.50	-57.03
O=C([O-])COC1CCN(C(=O)NC2CC[N@@H+]3CCCC3C2)CC1	REAL300013585853	0	50	0.0	-75.40	367.44	7.90	-67.50
O=C([O-])COC1CCN(C(=O)NC2CC[N@H+]3CCCC3C2)CC1	REAL300013585853	1	50	0.0	-75.32	367.38	7.90	-67.42
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300013585854	0	49	0.0	-70.33	359.10	7.14	-63.19
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300013585854	1	49	0.0	-69.73	362.65	6.85	-62.88
O=C([O-])C1CCCC(NC(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300013585855	0	49	0.0	-69.03	361.39	6.82	-62.21
O=C([O-])C1CCCC(NC(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300013585855	1	49	0.0	-65.72	354.10	7.55	-58.17
O=C([O-])C1(CNC(=O)NC2CC[N@@H+]3CCCC3C2)CCCOC1	REAL300013585856	0	50	0.0	-56.55	359.64	5.58	-50.97
O=C([O-])C1(CNC(=O)NC2CC[N@H+]3CCCC3C2)CCCOC1	REAL300013585856	1	50	0.0	-56.83	359.57	5.61	-51.22
O=C([O-])C1(CNC(=O)NC2CC[N@@H+]3CCCC3C2)CCOC1	REAL300013585857	0	47	0.0	-62.16	351.86	4.59	-57.57
O=C([O-])C1(CNC(=O)NC2CC[N@H+]3CCCC3C2)CCOC1	REAL300013585857	1	47	0.0	-63.70	351.86	4.66	-59.04
CC(C)(CC1=CC=C(CNC(=O)NC2CC[N@@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013585858	0	58	0.0	-73.36	435.06	9.63	-63.73
CC(C)(CC1=CC=C(CNC(=O)NC2CC[N@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300013585858	1	58	0.0	-73.34	435.14	9.58	-63.76
O=C([O-])C1CN(C(=O)NC2CC[N@@H+]3CCCC3C2)CC12CCC2	REAL300013585859	0	50	0.0	-62.40	360.94	8.57	-53.83
O=C([O-])C1CN(C(=O)NC2CC[N@H+]3CCCC3C2)CC12CCC2	REAL300013585859	1	50	0.0	-61.96	362.19	8.31	-53.65
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300013585860	0	46	0.0	-65.01	354.06	7.40	-57.61
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300013585860	1	46	0.0	-65.90	356.64	7.47	-58.43
CC1(C(=O)[O-])CN(C(=O)NC2CC[N@@H+]3CCCC3C2)CCO1	REAL300013585861	0	47	0.0	-76.09	344.41	6.84	-69.25
CC1(C(=O)[O-])CN(C(=O)NC2CC[N@H+]3CCCC3C2)CCO1	REAL300013585861	1	47	0.0	-77.75	340.81	7.05	-70.70
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+]3CCCC3C2)C1	REAL300013585862	0	50	0.0	-59.36	367.85	6.69	-52.67
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+]3CCCC3C2)C1	REAL300013585862	1	50	0.0	-58.78	366.39	6.84	-51.94
O=C([O-])CN1C(=O)NC2(CCN(C(=O)NC3CC[N@@H+]4CCCC4C3)CC2)C1=O	REAL300013585863	0	55	0.0	-84.25	411.75	6.36	-77.89
O=C([O-])CN1C(=O)NC2(CCN(C(=O)NC3CC[N@H+]4CCCC4C3)CC2)C1=O	REAL300013585863	1	55	0.0	-76.62	415.14	6.16	-70.46
CC1=CSC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013585884	1	44	0.0	-39.27	361.23	4.76	-34.51
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCC3=C2C=CO3)CC1	REAL300013585940	1	46	0.0	-38.33	351.56	6.05	-32.28
O=C([O-])C[NH+]1CCC(NC(=O)NCCCNC2=CC=CC=N2)CC1	REAL300013586004	1	49	0.0	-39.29	384.16	5.04	-34.25
CCC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013586064	1	45	0.0	-35.26	366.74	6.94	-28.32
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCN(CC(F)(F)F)C2)CC1	REAL300013586132	1	50	0.0	-37.77	389.94	4.20	-33.57
O=C([O-])C1=CC=C(CNC(=O)NCC2CC[N@@H+](C3CC3)C2)C=C1	REAL300013586175	0	46	0.0	-74.64	369.55	7.35	-67.29
O=C([O-])C1=CC=C(CNC(=O)NCC2CC[N@H+](C3CC3)C2)C=C1	REAL300013586175	1	46	0.0	-75.02	370.05	7.33	-67.69
O=C([O-])C1CCC(NC(=O)NCC2CC[N@@H+](C3CC3)C2)CC1	REAL300013586176	0	49	0.0	-66.67	368.63	7.50	-59.17
O=C([O-])C1CCC(NC(=O)NCC2CC[N@H+](C3CC3)C2)CC1	REAL300013586176	1	49	0.0	-66.60	367.20	7.51	-59.09
O=C([O-])C1=CC(CNC(=O)NCC2CC[N@@H+](C3CC3)C2)=CC=C1	REAL300013586177	0	46	0.0	-73.90	369.76	7.32	-66.58
O=C([O-])C1=CC(CNC(=O)NCC2CC[N@H+](C3CC3)C2)=CC=C1	REAL300013586177	1	46	0.0	-74.76	370.31	7.42	-67.34
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NCC2CC[N@@H+](C3CC3)C2)CC1	REAL300013586178	0	56	0.0	-71.88	419.35	10.93	-60.95
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NCC2CC[N@H+](C3CC3)C2)CC1	REAL300013586178	1	56	0.0	-79.33	424.12	11.22	-68.11
CC1CC(C(=O)[O-])CN(C(=O)NCC2CC[N@@H+](C3CC3)C2)C1	REAL300013586179	0	49	0.0	-77.22	369.03	8.36	-68.86
CC1CC(C(=O)[O-])CN(C(=O)NCC2CC[N@H+](C3CC3)C2)C1	REAL300013586179	1	49	0.0	-59.68	368.23	8.30	-51.38
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@@H+](C3CC3)C2)CC1	REAL300013586180	0	49	0.0	-70.45	359.99	8.04	-62.41
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@H+](C3CC3)C2)CC1	REAL300013586180	1	49	0.0	-72.54	360.23	8.05	-64.49
CC1CCN(C(=O)NCC2CC[N@@H+](C3CC3)C2)CC1C(=O)[O-]	REAL300013586181	0	49	0.0	-75.98	362.99	8.25	-67.73
CC1CCN(C(=O)NCC2CC[N@H+](C3CC3)C2)CC1C(=O)[O-]	REAL300013586181	1	49	0.0	-77.42	356.54	7.97	-69.45
O=C([O-])C1(CNC(=O)NCC2CC[N@@H+](C3CC3)C2)CCOCC1	REAL300013586182	0	50	0.0	-63.88	372.93	5.44	-58.44
O=C([O-])C1(CNC(=O)NCC2CC[N@H+](C3CC3)C2)CCOCC1	REAL300013586182	1	50	0.0	-63.73	372.64	5.49	-58.24
CCC(CC)(CNC(=O)NCC1CC[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300013586183	0	51	0.0	-62.13	372.68	7.09	-55.04
CCC(CC)(CNC(=O)NCC1CC[N@H+](C2CC2)C1)C(=O)[O-]	REAL300013586183	1	51	0.0	-64.59	377.89	6.90	-57.69
CC(NC(=O)NCC1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013586184	0	55	0.0	-76.24	405.67	7.87	-68.37
CC(NC(=O)NCC1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013586184	1	55	0.0	-74.72	405.60	7.86	-66.86
CC(CNC(=O)NCC1CC[N@@H+](C2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013586185	0	52	0.0	-61.69	396.80	8.89	-52.80
CC(CNC(=O)NCC1CC[N@H+](C2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013586185	1	52	0.0	-62.55	397.03	8.67	-53.88
O=C([O-])CCC1CCN(C(=O)NCC2CC[N@@H+](C3CC3)C2)CC1	REAL300013586186	0	52	0.0	-73.92	387.20	9.19	-64.73
O=C([O-])CCC1CCN(C(=O)NCC2CC[N@H+](C3CC3)C2)CC1	REAL300013586186	1	52	0.0	-70.72	386.97	9.22	-61.50
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1CC[N@@H+](C3CC3)C1)C2	REAL300013586187	0	48	0.0	-73.24	364.93	5.97	-67.27
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1CC[N@H+](C3CC3)C1)C2	REAL300013586187	1	48	0.0	-72.23	364.42	5.93	-66.30
O=C([O-])C1(CNC(=O)NCC2CC[N@@H+](C3CC3)C2)CCCC1	REAL300013586188	0	49	0.0	-63.95	371.30	7.34	-56.61
O=C([O-])C1(CNC(=O)NCC2CC[N@H+](C3CC3)C2)CCCC1	REAL300013586188	1	49	0.0	-63.74	371.01	7.37	-56.37
CC1CN(C(=O)NCC2CC[N@@H+](C3CC3)C2)CCC1C(=O)[O-]	REAL300013586189	0	49	0.0	-69.19	363.07	8.27	-60.92
CC1CN(C(=O)NCC2CC[N@H+](C3CC3)C2)CCC1C(=O)[O-]	REAL300013586189	1	49	0.0	-70.50	361.14	8.52	-61.98
O=C([O-])CC(CNC(=O)NCC1CC[N@@H+](C2CC2)C1)C1CC1	REAL300013586190	0	49	0.0	-69.02	370.80	7.86	-61.16
O=C([O-])CC(CNC(=O)NCC1CC[N@H+](C2CC2)C1)C1CC1	REAL300013586190	1	49	0.0	-65.75	376.50	7.37	-58.38
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@@H+](C3CC3)C2)CC1	REAL300013586191	0	49	0.0	-70.45	359.99	8.04	-62.41
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@H+](C3CC3)C2)CC1	REAL300013586191	1	49	0.0	-72.54	360.23	8.05	-64.49
CC(C)C[C@H](CNC(=O)NCC1CC[N@@H+](C2CC2)C1)CC(=O)[O-]	REAL300013586192	0	54	0.0	-70.20	399.18	7.69	-62.51
CC(C)C[C@H](CNC(=O)NCC1CC[N@H+](C2CC2)C1)CC(=O)[O-]	REAL300013586192	1	54	0.0	-68.47	399.04	7.75	-60.72
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300013586193	0	46	0.0	-67.06	364.04	7.48	-59.58
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[N@H+](C2CC2)C1	REAL300013586193	1	46	0.0	-69.17	363.93	7.55	-61.62
COCC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@@H+](C3CC3)C2)C1	REAL300013586194	0	50	0.0	-78.80	382.42	7.04	-71.76
COCC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@H+](C3CC3)C2)C1	REAL300013586194	1	50	0.0	-74.72	381.60	7.09	-67.63
O=C([O-])CN1CCC(NC(=O)NCC2CC[N@@H+](C3CC3)C2)CC1	REAL300013586195	0	51	0.0	-73.16	384.84	4.83	-68.33
O=C([O-])CN1CCC(NC(=O)NCC2CC[N@H+](C3CC3)C2)CC1	REAL300013586195	1	51	0.0	-74.10	385.34	4.81	-69.29
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3CC[N@@H+](C4CC4)C3)C2)C=N1	REAL300013586196	0	56	0.0	-63.49	430.26	9.10	-54.39
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3CC[N@H+](C4CC4)C3)C2)C=N1	REAL300013586196	1	56	0.0	-74.59	424.19	9.07	-65.52
O=C([O-])C1=CC(CNC(=O)NCC2CC[N@@H+](C3CC3)C2)=CC=C1	REAL300013586197	0	46	0.0	-73.90	369.76	7.32	-66.58
O=C([O-])C1=CC(CNC(=O)NCC2CC[N@H+](C3CC3)C2)=CC=C1	REAL300013586197	1	46	0.0	-74.76	370.31	7.42	-67.34
COC(=O)C1CC2(C1)CN(C(=O)NCC1CC[N@@H+](C3CC3)C1)CC2C(=O)[O-]	REAL300013586198	0	56	0.0	-70.28	429.72	9.15	-61.13
COC(=O)C1CC2(C1)CN(C(=O)NCC1CC[N@H+](C3CC3)C1)CC2C(=O)[O-]	REAL300013586198	1	56	0.0	-65.54	427.48	9.15	-56.39
O=C([O-])CCC1CCCCN1C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300013586199	0	52	0.0	-77.45	380.45	9.12	-68.33
O=C([O-])CCC1CCCCN1C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300013586199	1	52	0.0	-77.18	380.99	9.15	-68.03
O=C([O-])CCCCCCCNC(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300013586200	0	54	0.0	-74.56	419.30	8.44	-66.12
O=C([O-])CCCCCCCNC(=O)NCC1CC[N@H+](C2CC2)C1	REAL300013586200	1	54	0.0	-75.09	418.29	8.34	-66.75
O=C([O-])CCCCCCNC(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300013586201	0	51	0.0	-75.35	397.81	7.66	-67.69
O=C([O-])CCCCCCNC(=O)NCC1CC[N@H+](C2CC2)C1	REAL300013586201	1	51	0.0	-75.92	396.79	7.56	-68.36
CC1(C(=O)[O-])CCCN(C(=O)NCC2CC[N@@H+](C3CC3)C2)C1	REAL300013586202	0	49	0.0	-77.36	362.92	8.57	-68.79
CC1(C(=O)[O-])CCCN(C(=O)NCC2CC[N@H+](C3CC3)C2)C1	REAL300013586202	1	49	0.0	-78.03	362.31	8.47	-69.56
COCC1(C(=O)[O-])CCCN(C(=O)NCC2CC[N@@H+](C3CC3)C2)C1	REAL300013586203	0	53	0.0	-81.19	393.64	8.32	-72.87
COCC1(C(=O)[O-])CCCN(C(=O)NCC2CC[N@H+](C3CC3)C2)C1	REAL300013586203	1	53	0.0	-81.73	392.79	8.24	-73.49
COCCN(CCC(=O)[O-])C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300013586204	0	49	0.0	-56.55	382.96	6.92	-49.63
COCCN(CCC(=O)[O-])C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300013586204	1	49	0.0	-56.62	381.87	7.43	-49.19
O=C([O-])[C@]12CN(C(=O)NCC3CC[N@@H+](C4CC4)C3)C[C@H]1C1=CC=CC=C1OC2	REAL300013586205	0	55	0.0	-79.51	419.51	9.22	-70.29
O=C([O-])[C@]12CN(C(=O)NCC3CC[N@H+](C4CC4)C3)C[C@H]1C1=CC=CC=C1OC2	REAL300013586205	1	55	0.0	-77.90	420.46	9.27	-68.63
O=C([O-])CCC1CCCN(C(=O)NCC2CC[N@@H+](C3CC3)C2)C1	REAL300013586206	0	52	0.0	-76.55	387.99	9.29	-67.26
O=C([O-])CCC1CCCN(C(=O)NCC2CC[N@H+](C3CC3)C2)C1	REAL300013586206	1	52	0.0	-77.28	387.08	9.16	-68.12
O=C([O-])C1CN(C(=O)NCC2CC[N@@H+](C3CC3)C2)CC2=CC=CC=C21	REAL300013586207	0	50	0.0	-83.34	383.50	9.87	-73.47
O=C([O-])C1CN(C(=O)NCC2CC[N@H+](C3CC3)C2)CC2=CC=CC=C21	REAL300013586207	1	50	0.0	-81.13	380.46	9.69	-71.44
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2CC[N@@H+](C3CC3)C2)CCO1	REAL300013586208	0	57	0.0	-70.18	429.83	8.16	-62.02
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2CC[N@H+](C3CC3)C2)CCO1	REAL300013586208	1	57	0.0	-71.11	429.02	8.06	-63.05
O=C([O-])C(=O)N1CCN(C(=O)NCC2CC[N@@H+](C3CC3)C2)CC1	REAL300013586209	0	47	0.0	-66.12	359.70	6.51	-59.61
O=C([O-])C(=O)N1CCN(C(=O)NCC2CC[N@H+](C3CC3)C2)CC1	REAL300013586209	1	47	0.0	-66.86	359.70	6.48	-60.38
CC1CCC(C(=O)[O-])CN1C(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300013586210	0	49	0.0	-58.46	362.85	8.42	-50.04
CC1CCC(C(=O)[O-])CN1C(=O)NCC1CC[N@H+](C2CC2)C1	REAL300013586210	1	49	0.0	-58.62	363.17	8.34	-50.28
O=C([O-])[C@@H]1CN(C(=O)NCC2CC[N@@H+](C3CC3)C2)C[C@H]1C1=CC=CC=C1	REAL300013586211	0	53	0.0	-64.98	410.30	10.43	-54.55
O=C([O-])[C@@H]1CN(C(=O)NCC2CC[N@H+](C3CC3)C2)C[C@H]1C1=CC=CC=C1	REAL300013586211	1	53	0.0	-66.15	409.28	10.29	-55.86
O=C([O-])C1(O)CCCN(C(=O)NCC2CC[N@@H+](C3CC3)C2)C1	REAL300013586212	0	47	0.0	-74.51	357.26	5.40	-69.11
O=C([O-])C1(O)CCCN(C(=O)NCC2CC[N@H+](C3CC3)C2)C1	REAL300013586212	1	47	0.0	-74.27	357.30	5.37	-68.90
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CC(C)(CNC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013586925	1	51	0.0	-72.87	385.85	7.72	-65.15
CC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013586926	0	52	0.0	-73.51	389.66	9.15	-64.36
CC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013586926	1	52	0.0	-73.31	390.32	9.10	-64.21
CC1CC(C(=O)[O-])CN(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013586927	0	55	0.0	-56.29	410.97	10.73	-45.56
CC1CC(C(=O)[O-])CN(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013586927	1	55	0.0	-57.68	406.81	10.10	-47.58
CC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300013586928	0	55	0.0	-71.35	401.27	10.63	-60.72
CC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300013586928	1	55	0.0	-72.51	399.14	9.85	-62.66
O=C([O-])CCCNC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300013586929	0	48	0.0	-67.85	371.73	7.04	-60.81
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CC1CCN(C(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300013586930	0	55	0.0	-78.55	412.25	10.51	-68.04
CC1CCN(C(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300013586930	1	55	0.0	-76.97	406.01	10.12	-66.85
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CC(C)(CCNC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013586932	0	54	0.0	-69.03	405.02	7.92	-61.11
CC(C)(CCNC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013586932	1	54	0.0	-69.00	404.94	7.93	-61.07
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CC(C)C(CNC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013586935	1	54	0.0	-62.09	407.44	8.21	-53.88
CC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013586936	0	61	0.0	-75.76	448.16	9.78	-65.98
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CN1CCC([N@H+]2CCC(NC(=O)NCC(CC(=O)[O-])C3CC3)C2)CC1	REAL300013587508	1	57	0.0	-74.34	421.91	5.87	-68.47
C[NH+]1CCC(N2CCC(NC(=O)NCC(CC(=O)[O-])C3CC3)C2)CC1	REAL300013587508	1	57	0.0	-79.49	421.67	5.84	-73.65
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC(C)(C(=O)[O-])CC3)C2)CC1	REAL300013587509	0	57	0.0	-74.83	403.83	6.63	-68.20
CN1CCC([N@H+]2CCC(NC(=O)N3CCC(C)(C(=O)[O-])CC3)C2)CC1	REAL300013587509	1	57	0.0	-74.54	402.54	6.45	-68.09
C[NH+]1CCC(N2CCC(NC(=O)N3CCC(C)(C(=O)[O-])CC3)C2)CC1	REAL300013587509	1	57	0.0	-76.35	403.46	6.51	-69.84
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)CC(=O)[O-]	REAL300013587510	0	62	0.0	-69.41	442.72	6.22	-63.19
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)CC(=O)[O-]	REAL300013587510	1	62	0.0	-71.02	443.45	6.26	-64.76
CC(C)C[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)CC(=O)[O-]	REAL300013587510	1	62	0.0	-71.15	448.85	6.37	-64.78
CN1CCC([N@@H+]2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300013587511	0	54	0.0	-68.65	407.75	6.09	-62.56
CN1CCC([N@H+]2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300013587511	1	54	0.0	-68.18	407.76	6.08	-62.10
C[NH+]1CCC(N2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300013587511	1	54	0.0	-76.82	407.13	5.99	-70.83
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C1	REAL300013587512	0	58	0.0	-76.22	425.59	5.71	-70.51
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C1	REAL300013587512	1	58	0.0	-80.53	424.27	5.43	-75.10
COCC1(C(=O)[O-])CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C1	REAL300013587512	1	58	0.0	-83.22	425.75	5.48	-77.74
CN1CCC([N@@H+]2CCC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013587513	0	51	0.0	-71.03	381.71	4.45	-66.58
CN1CCC([N@H+]2CCC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013587513	1	51	0.0	-70.76	380.81	4.30	-66.46
C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013587513	1	51	0.0	-73.36	381.49	4.36	-69.00
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013587515	0	54	0.0	-59.14	391.20	6.34	-52.80
CN1CCC([N@H+]2CCC(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013587515	1	54	0.0	-78.01	390.22	6.20	-71.81
C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013587515	1	54	0.0	-64.13	390.48	6.31	-57.82
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC[C@H](C(=O)[O-])C3)C2)CC1	REAL300013587516	0	54	0.0	-59.79	390.79	6.33	-53.46
CN1CCC([N@H+]2CCC(NC(=O)N3CCC[C@H](C(=O)[O-])C3)C2)CC1	REAL300013587516	1	54	0.0	-78.75	389.51	6.24	-72.51
C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](C(=O)[O-])C3)C2)CC1	REAL300013587516	1	54	0.0	-80.69	391.51	6.36	-74.33
CN1CCC([N@@H+]2CCC(NC(=O)NC3CC(C(=O)[O-])C3)C2)CC1	REAL300013587517	0	51	0.0	-71.07	382.08	4.44	-66.63
CN1CCC([N@H+]2CCC(NC(=O)NC3CC(C(=O)[O-])C3)C2)CC1	REAL300013587517	1	51	0.0	-71.47	381.48	4.42	-67.05
C[NH+]1CCC(N2CCC(NC(=O)NC3CC(C(=O)[O-])C3)C2)CC1	REAL300013587517	1	51	0.0	-75.65	380.77	4.39	-71.26
CN1CCC([N@@H+]2CCC(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C2)CC1	REAL300013587518	0	51	0.0	-73.56	381.16	4.47	-69.09
CN1CCC([N@H+]2CCC(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C2)CC1	REAL300013587518	1	51	0.0	-73.14	380.44	4.34	-68.80
C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C2)CC1	REAL300013587518	1	51	0.0	-75.42	381.38	4.40	-71.02
CN1CCC([N@@H+]2CCC(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C2)CC1	REAL300013587519	0	54	0.0	-76.63	414.37	5.96	-70.67
CN1CCC([N@H+]2CCC(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C2)CC1	REAL300013587519	1	54	0.0	-77.12	414.15	5.97	-71.15
C[NH+]1CCC(N2CCC(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C2)CC1	REAL300013587519	1	54	0.0	-79.35	414.77	5.90	-73.45
CCC(CNC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300013587520	0	53	0.0	-64.55	395.60	4.54	-60.01
CCC(CNC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300013587520	1	53	0.0	-64.83	395.38	4.54	-60.29
CCC(CNC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300013587520	1	53	0.0	-66.82	388.56	4.22	-62.60
CN1CCC([N@@H+]2CCC(NC(=O)N3CCCCC3CCC(=O)[O-])C2)CC1	REAL300013587521	0	60	0.0	-78.82	424.21	7.72	-71.10
CN1CCC([N@H+]2CCC(NC(=O)N3CCCCC3CCC(=O)[O-])C2)CC1	REAL300013587521	1	60	0.0	-79.74	424.86	7.73	-72.01
C[NH+]1CCC(N2CCC(NC(=O)N3CCCCC3CCC(=O)[O-])C2)CC1	REAL300013587521	1	60	0.0	-86.57	424.66	7.64	-78.93
CN1CCC([N@@H+]2CCC(NC(=O)NCCCCCCCC(=O)[O-])C2)CC1	REAL300013587522	0	62	0.0	-77.10	462.59	6.99	-70.11
CN1CCC([N@H+]2CCC(NC(=O)NCCCCCCCC(=O)[O-])C2)CC1	REAL300013587522	1	62	0.0	-77.48	462.38	7.00	-70.48
C[NH+]1CCC(N2CCC(NC(=O)NCCCCCCCC(=O)[O-])C2)CC1	REAL300013587522	1	62	0.0	-76.57	455.55	6.68	-69.89
CN1CCC([N@@H+]2CCC(NC(=O)NCCCCCCC(=O)[O-])C2)CC1	REAL300013587523	0	59	0.0	-77.81	441.09	6.21	-71.60
CN1CCC([N@H+]2CCC(NC(=O)NCCCCCCC(=O)[O-])C2)CC1	REAL300013587523	1	59	0.0	-78.21	440.88	6.22	-71.99
C[NH+]1CCC(N2CCC(NC(=O)NCCCCCCC(=O)[O-])C2)CC1	REAL300013587523	1	59	0.0	-77.06	434.05	5.90	-71.16
CN(CCCC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300013587524	0	53	0.0	-75.03	394.23	6.26	-68.77
CN(CCCC(=O)[O-])C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300013587524	1	53	0.0	-75.73	393.76	6.24	-69.49
CN(CCCC(=O)[O-])C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300013587524	1	53	0.0	-78.03	387.19	5.93	-72.10
CN1CCC([N@@H+]2CCC(NC(=O)N3CCCC(C)(C(=O)[O-])C3)C2)CC1	REAL300013587525	0	57	0.0	-79.04	406.31	7.05	-71.99
CN1CCC([N@H+]2CCC(NC(=O)N3CCCC(C)(C(=O)[O-])C3)C2)CC1	REAL300013587525	1	57	0.0	-78.86	404.92	6.94	-71.92
C[NH+]1CCC(N2CCC(NC(=O)N3CCCC(C)(C(=O)[O-])C3)C2)CC1	REAL300013587525	1	57	0.0	-81.08	405.91	7.05	-74.03
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C1	REAL300013587526	0	61	0.0	-82.81	437.50	6.82	-75.99
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C1	REAL300013587526	1	61	0.0	-83.11	437.04	6.14	-76.97
COCC1(C(=O)[O-])CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C1	REAL300013587526	1	61	0.0	-86.35	437.43	6.21	-80.14
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300013587527	0	57	0.0	-57.54	425.91	5.60	-51.94
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300013587527	1	57	0.0	-56.50	421.40	5.83	-50.67
COCCN(CCC(=O)[O-])C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300013587527	1	57	0.0	-63.92	418.87	5.29	-58.63
CN1CCC([N@@H+]2CCC(NC(=O)N3CCCC(CCC(=O)[O-])C3)C2)CC1	REAL300013587528	0	60	0.0	-79.28	431.16	7.76	-71.52
CN1CCC([N@H+]2CCC(NC(=O)N3CCCC(CCC(=O)[O-])C3)C2)CC1	REAL300013587528	1	60	0.0	-77.84	430.20	7.65	-70.19
C[NH+]1CCC(N2CCC(NC(=O)N3CCCC(CCC(=O)[O-])C3)C2)CC1	REAL300013587528	1	60	0.0	-80.45	431.27	7.78	-72.67
CN1CCC([N@@H+]2CCC(NC(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)C2)CC1	REAL300013587529	0	58	0.0	-83.07	424.47	8.29	-74.78
CN1CCC([N@H+]2CCC(NC(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)C2)CC1	REAL300013587529	1	58	0.0	-84.85	425.76	8.27	-76.58
C[NH+]1CCC(N2CCC(NC(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)C2)CC1	REAL300013587529	1	58	0.0	-84.22	424.88	8.76	-75.46
CN1CCC([N@@H+]2CCC(NC(=O)N3CCN(C(=O)C(=O)[O-])CC3)C2)CC1	REAL300013587530	0	55	0.0	-72.90	403.94	5.07	-67.83
CN1CCC([N@H+]2CCC(NC(=O)N3CCN(C(=O)C(=O)[O-])CC3)C2)CC1	REAL300013587530	1	55	0.0	-73.55	403.44	5.09	-68.46
C[NH+]1CCC(N2CCC(NC(=O)N3CCN(C(=O)C(=O)[O-])CC3)C2)CC1	REAL300013587530	1	55	0.0	-72.89	403.58	4.95	-67.94
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300013587531	0	57	0.0	-59.61	406.21	6.99	-52.62
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300013587531	1	57	0.0	-58.12	404.90	6.92	-51.20
CC1CCC(C(=O)[O-])CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300013587531	1	57	0.0	-63.71	405.48	6.87	-56.84
CN1CCC([N@@H+]2CCC(NC(=O)N3CCCC(O)(C(=O)[O-])C3)C2)CC1	REAL300013587532	0	55	0.0	-75.80	401.12	3.88	-71.92
CN1CCC([N@H+]2CCC(NC(=O)N3CCCC(O)(C(=O)[O-])C3)C2)CC1	REAL300013587532	1	55	0.0	-75.56	399.38	3.81	-71.75
C[NH+]1CCC(N2CCC(NC(=O)N3CCCC(O)(C(=O)[O-])C3)C2)CC1	REAL300013587532	1	55	0.0	-78.56	400.67	3.86	-74.70
CN1CCC([N@@H+]2CCC(NC(=O)NC3CC(C(=O)[O-])C4=CC=CC=C43)C2)CC1	REAL300013587533	0	58	0.0	-73.32	432.83	6.96	-66.36
CN1CCC([N@H+]2CCC(NC(=O)NC3CC(C(=O)[O-])C4=CC=CC=C43)C2)CC1	REAL300013587533	1	58	0.0	-72.30	432.57	7.00	-65.30
C[NH+]1CCC(N2CCC(NC(=O)NC3CC(C(=O)[O-])C4=CC=CC=C43)C2)CC1	REAL300013587533	1	58	0.0	-73.96	433.50	7.02	-66.94
CN1CCC([N@@H+]2CCC(NC(=O)NC3CCCCN(CC(=O)[O-])C3=O)C2)CC1	REAL300013587534	0	61	0.0	-78.90	445.46	5.25	-73.65
CN1CCC([N@H+]2CCC(NC(=O)NC3CCCCN(CC(=O)[O-])C3=O)C2)CC1	REAL300013587534	1	61	0.0	-89.19	437.71	6.04	-83.15
C[NH+]1CCC(N2CCC(NC(=O)NC3CCCCN(CC(=O)[O-])C3=O)C2)CC1	REAL300013587534	1	61	0.0	-92.17	442.45	6.11	-86.06
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)CC1	REAL300013587535	0	61	0.0	-77.17	435.73	6.41	-70.76
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)CC1	REAL300013587535	1	61	0.0	-78.49	434.91	6.39	-72.10
COCC1(C(=O)[O-])CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)CC1	REAL300013587535	1	61	0.0	-80.89	436.41	5.70	-75.19
CN1CCC([N@@H+]2CCC(NC(=O)NC34CC(C(=O)[O-])(C3)C4)C2)CC1	REAL300013587536	0	52	0.0	-78.77	391.43	4.66	-74.11
CN1CCC([N@H+]2CCC(NC(=O)NC34CC(C(=O)[O-])(C3)C4)C2)CC1	REAL300013587536	1	52	0.0	-77.66	390.34	4.55	-73.11
C[NH+]1CCC(N2CCC(NC(=O)NC34CC(C(=O)[O-])(C3)C4)C2)CC1	REAL300013587536	1	52	0.0	-80.48	391.58	4.58	-75.90
CN1CCC([N@@H+]2CCC(NC(=O)NCC3(CC(=O)[O-])CCCCC3)C2)CC1	REAL300013587537	0	63	0.0	-76.36	437.94	6.64	-69.72
CN1CCC([N@H+]2CCC(NC(=O)NCC3(CC(=O)[O-])CCCCC3)C2)CC1	REAL300013587537	1	63	0.0	-68.67	437.65	6.62	-62.05
C[NH+]1CCC(N2CCC(NC(=O)NCC3(CC(=O)[O-])CCCCC3)C2)CC1	REAL300013587537	1	63	0.0	-75.91	437.02	6.53	-69.38
CN1CCC([N@@H+]2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C2)CC1	REAL300013587538	0	57	0.0	-67.83	412.28	6.09	-61.74
CN1CCC([N@H+]2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C2)CC1	REAL300013587538	1	57	0.0	-67.89	410.10	5.91	-61.98
C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C2)CC1	REAL300013587538	1	57	0.0	-71.63	410.30	5.98	-65.65
CN1CCC([N@@H+]2CCC(NC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)C2)CC1	REAL300013587539	0	60	0.0	-76.78	435.06	6.34	-70.44
CN1CCC([N@H+]2CCC(NC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)C2)CC1	REAL300013587539	1	60	0.0	-77.56	436.42	6.37	-71.19
C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)C2)CC1	REAL300013587539	1	60	0.0	-78.05	436.51	6.31	-71.74
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC(CC(=O)[O-])CC3)C2)CC1	REAL300013587540	0	57	0.0	-68.09	408.67	7.00	-61.09
CN1CCC([N@H+]2CCC(NC(=O)N3CCC(CC(=O)[O-])CC3)C2)CC1	REAL300013587540	1	57	0.0	-68.03	408.98	7.00	-61.03
C[NH+]1CCC(N2CCC(NC(=O)N3CCC(CC(=O)[O-])CC3)C2)CC1	REAL300013587540	1	57	0.0	-77.73	408.88	6.94	-70.79
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC(OCC(=O)[O-])CC3)C2)CC1	REAL300013587541	0	58	0.0	-77.40	425.32	6.41	-70.99
CN1CCC([N@H+]2CCC(NC(=O)N3CCC(OCC(=O)[O-])CC3)C2)CC1	REAL300013587541	1	58	0.0	-77.05	425.52	6.39	-70.66
C[NH+]1CCC(N2CCC(NC(=O)N3CCC(OCC(=O)[O-])CC3)C2)CC1	REAL300013587541	1	58	0.0	-77.95	425.55	6.38	-71.57
CN1CCC([N@@H+]2CCC(NC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013587542	0	57	0.0	-72.58	416.16	5.64	-66.94
CN1CCC([N@H+]2CCC(NC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013587542	1	57	0.0	-71.78	415.16	5.52	-66.26
C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013587542	1	57	0.0	-73.32	415.65	5.60	-67.72
CN1CCC([N@@H+]2CCC(NC(=O)NC3CCCC(C(=O)[O-])C3)C2)CC1	REAL300013587543	0	57	0.0	-69.93	412.37	6.09	-63.84
CN1CCC([N@H+]2CCC(NC(=O)NC3CCCC(C(=O)[O-])C3)C2)CC1	REAL300013587543	1	57	0.0	-69.96	412.37	6.07	-63.89
C[NH+]1CCC(N2CCC(NC(=O)NC3CCCC(C(=O)[O-])C3)C2)CC1	REAL300013587543	1	57	0.0	-71.59	412.34	6.01	-65.58
CN1CCC([N@@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CCCOC3)C2)CC1	REAL300013587544	0	58	0.0	-61.98	418.60	4.22	-57.76
CN1CCC([N@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CCCOC3)C2)CC1	REAL300013587544	1	58	0.0	-61.78	418.74	4.24	-57.54
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CN1CCC([N@@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CCOC3)C2)CC1	REAL300013587545	0	55	0.0	-62.11	405.97	3.20	-58.91
CN1CCC([N@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CCOC3)C2)CC1	REAL300013587545	1	55	0.0	-63.26	403.55	3.21	-60.05
C[NH+]1CCC(N2CCC(NC(=O)NCC3(C(=O)[O-])CCOC3)C2)CC1	REAL300013587545	1	55	0.0	-69.45	396.69	2.89	-66.56
CN1CCC([N@@H+]2CCC(NC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C2)CC1	REAL300013587546	0	52	0.0	-71.96	392.88	5.15	-66.81
CN1CCC([N@H+]2CCC(NC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C2)CC1	REAL300013587546	1	52	0.0	-71.41	392.35	5.04	-66.37
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CN1CCC([N@@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CC3)C2)CC1	REAL300013587547	0	51	0.0	-60.44	381.91	4.80	-55.64
CN1CCC([N@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CC3)C2)CC1	REAL300013587547	1	51	0.0	-60.30	382.05	4.81	-55.49
C[NH+]1CCC(N2CCC(NC(=O)NCC3(C(=O)[O-])CC3)C2)CC1	REAL300013587547	1	51	0.0	-66.55	381.99	4.78	-61.77
CN1CCC([N@@H+]2CCC(NC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)C2)CC1	REAL300013587548	0	58	0.0	-65.51	418.52	7.14	-58.37
CN1CCC([N@H+]2CCC(NC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)C2)CC1	REAL300013587548	1	58	0.0	-65.52	417.66	7.01	-58.51
C[NH+]1CCC(N2CCC(NC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)C2)CC1	REAL300013587548	1	58	0.0	-69.45	418.69	7.12	-62.33
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)C2)CC1	REAL300013587549	0	54	0.0	-68.05	411.08	6.21	-61.84
CN1CCC([N@H+]2CCC(NC(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)C2)CC1	REAL300013587549	1	54	0.0	-68.35	409.47	6.09	-62.26
C[NH+]1CCC(N2CCC(NC(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)C2)CC1	REAL300013587549	1	54	0.0	-72.02	410.28	6.17	-65.85
CN1CCC([N@@H+]2CCC(NC(=O)N3CCOC(C)(C(=O)[O-])C3)C2)CC1	REAL300013587550	0	55	0.0	-79.62	399.26	5.55	-74.07
CN1CCC([N@H+]2CCC(NC(=O)N3CCOC(C)(C(=O)[O-])C3)C2)CC1	REAL300013587550	1	55	0.0	-79.50	397.69	5.47	-74.03
C[NH+]1CCC(N2CCC(NC(=O)N3CCOC(C)(C(=O)[O-])C3)C2)CC1	REAL300013587550	1	55	0.0	-81.75	399.49	5.54	-76.21
CN1CCC([N@@H+]2CCC(NC(=O)N3CC(C(=O)[O-])C3)C2)CC1	REAL300013587551	0	48	0.0	-67.03	362.20	4.74	-62.29
CN1CCC([N@H+]2CCC(NC(=O)N3CC(C(=O)[O-])C3)C2)CC1	REAL300013587551	1	48	0.0	-67.37	362.04	4.73	-62.64
C[NH+]1CCC(N2CCC(NC(=O)N3CC(C(=O)[O-])C3)C2)CC1	REAL300013587551	1	48	0.0	-68.80	362.78	4.61	-64.19
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+](C3CCN(C)CC3)C2)C1	REAL300013587552	0	58	0.0	-61.20	421.14	5.35	-55.85
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+](C3CCN(C)CC3)C2)C1	REAL300013587552	1	58	0.0	-79.21	424.39	5.34	-73.87
COC1CC(C(=O)[O-])CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)C2)C1	REAL300013587552	1	58	0.0	-66.37	421.86	5.34	-61.03
CN1CCC([N@@H+]2CCC(NC(=O)N3CCC(C(=O)[O-])C3)C2)CC1	REAL300013587553	0	51	0.0	-74.05	377.69	5.46	-68.59
CN1CCC([N@H+]2CCC(NC(=O)N3CCC(C(=O)[O-])C3)C2)CC1	REAL300013587553	1	51	0.0	-74.86	377.35	5.45	-69.41
C[NH+]1CCC(N2CCC(NC(=O)N3CCC(C(=O)[O-])C3)C2)CC1	REAL300013587553	1	51	0.0	-76.92	378.12	5.35	-71.57
CN1CCC([N@@H+]2CCC(NC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C2)CC1	REAL300013587554	0	52	0.0	-77.91	392.76	5.18	-72.73
CN1CCC([N@H+]2CCC(NC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C2)CC1	REAL300013587554	1	52	0.0	-78.41	392.47	5.15	-73.26
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CC(CCC(=O)[O-])NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1	REAL300013587555	0	53	0.0	-68.22	396.35	4.88	-63.34
CC(CCC(=O)[O-])NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1	REAL300013587555	1	53	0.0	-68.43	396.16	4.88	-63.55
CC(CCC(=O)[O-])NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1	REAL300013587555	1	53	0.0	-71.45	389.31	4.57	-66.88
COC(=O)COC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013587588	1	52	0.0	-42.76	419.01	7.19	-35.57
CC(C)C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013587660	1	51	0.0	-36.51	386.63	8.16	-28.35
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCN(C3=CC=CC=C3)C2)CC1	REAL300013587781	1	54	0.0	-37.14	403.85	6.86	-30.28
CC1=CC=CN=C1C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(C)C	REAL300013587855	1	53	0.0	-34.95	396.79	6.62	-28.33
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C(F)=C1	REAL300013587929	1	45	0.0	-38.13	363.33	7.24	-30.89
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC(C3=CC=CC(Cl)=C3)=NO2)CC1	REAL300013588002	1	47	0.0	-38.58	400.77	5.43	-33.15
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CN(C)C(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=C(F)C=CC=C1F	REAL300013588135	1	53	0.0	-37.79	407.81	7.00	-30.79
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CC(CCC1CCCCC1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013588267	1	57	0.0	-39.46	416.68	9.00	-30.46
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=CC=C2)C2CCOCC2)CC1	REAL300013588380	1	56	0.0	-35.66	409.97	7.63	-28.03
C=CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=NC=C1	REAL300013588448	1	48	0.0	-37.17	374.48	6.46	-30.71
CC1=CC=C(CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=CC=N2)C=C1	REAL300013588519	1	57	0.0	-39.16	444.18	9.97	-29.19
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)C(C)C1	REAL300013588605	0	58	0.0	-76.29	428.73	8.75	-67.54
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)C(C)C1	REAL300013588605	1	58	0.0	-74.60	418.00	8.57	-66.03
CCOCCC[N@@H+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(C)C1	REAL300013588606	0	58	0.0	-78.89	441.57	8.46	-70.43
CCOCCC[N@H+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(C)C1	REAL300013588606	1	58	0.0	-79.97	446.41	8.76	-71.21
CCOCCC[N@@H+]1CCC(NC(=O)N2CCOC(C(=O)[O-])C2)C(C)C1	REAL300013588607	0	56	0.0	-82.65	410.62	7.27	-75.38
CCOCCC[N@H+]1CCC(NC(=O)N2CCOC(C(=O)[O-])C2)C(C)C1	REAL300013588607	1	56	0.0	-62.73	410.61	7.28	-55.45
CCOCCC[N@@H+]1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)C(C)C1	REAL300013588608	0	61	0.0	-68.36	443.30	8.83	-59.53
CCOCCC[N@H+]1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)C(C)C1	REAL300013588608	1	61	0.0	-70.25	438.46	8.52	-61.73
CCOCCC[N@@H+]1CCC(NC(=O)NCCCCC(=O)[O-])C(C)C1	REAL300013588609	0	57	0.0	-80.13	430.17	7.43	-72.70
CCOCCC[N@H+]1CCC(NC(=O)NCCCCC(=O)[O-])C(C)C1	REAL300013588609	1	57	0.0	-76.66	425.75	6.91	-69.75
CCOCCC[N@@H+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C)C1	REAL300013588610	0	58	0.0	-79.78	441.59	8.45	-71.33
CCOCCC[N@H+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C)C1	REAL300013588610	1	58	0.0	-78.47	442.02	8.23	-70.24
CCOCCC[N@@H+]1CCC(NC(=O)NCCC(=O)[O-])C(C)C1	REAL300013588611	0	51	0.0	-77.06	387.17	5.85	-71.21
CCOCCC[N@H+]1CCC(NC(=O)NCCC(=O)[O-])C(C)C1	REAL300013588611	1	51	0.0	-73.95	382.76	5.34	-68.61
CCOCCC[N@@H+]1CCC(NC(=O)NCCCCCC(=O)[O-])C(C)C1	REAL300013588612	0	60	0.0	-78.21	451.66	8.21	-70.00
CCOCCC[N@H+]1CCC(NC(=O)NCCCCCC(=O)[O-])C(C)C1	REAL300013588612	1	60	0.0	-75.86	447.25	7.69	-68.17
CCOCCC[N@@H+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])C(C)C1	REAL300013588613	0	57	0.0	-80.93	422.61	7.31	-73.62
CCOCCC[N@H+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])C(C)C1	REAL300013588613	1	57	0.0	-76.89	418.19	6.79	-70.10
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])C2)C(C)C1	REAL300013588614	0	58	0.0	-78.09	422.23	8.52	-69.57
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])C2)C(C)C1	REAL300013588614	1	58	0.0	-80.83	426.66	8.75	-72.08
CCOCCC[N@@H+]1CCC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)C(C)C1	REAL300013588615	0	61	0.0	-59.30	438.93	9.94	-49.36
CCOCCC[N@H+]1CCC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)C(C)C1	REAL300013588615	1	61	0.0	-64.47	434.52	9.41	-55.06
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C(C)C1	REAL300013588616	0	61	0.0	-78.64	440.72	8.99	-69.65
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C(C)C1	REAL300013588616	1	61	0.0	-76.49	431.65	8.90	-67.59
CCOCCC[N@@H+]1CCC(NC(=O)NCCCC(=O)[O-])C(C)C1	REAL300013588617	0	54	0.0	-73.76	408.67	6.65	-67.11
CCOCCC[N@H+]1CCC(NC(=O)NCCCC(=O)[O-])C(C)C1	REAL300013588617	1	54	0.0	-72.14	404.25	6.13	-66.01
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)C(C)C1	REAL300013588618	0	61	0.0	-66.05	446.84	9.22	-56.83
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)C(C)C1	REAL300013588618	1	61	0.0	-81.74	439.36	8.94	-72.80
CCOCCC[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C(C)C1	REAL300013588619	0	62	0.0	-63.52	443.92	6.52	-57.00
CCOCCC[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C(C)C1	REAL300013588619	1	62	0.0	-69.16	448.75	6.81	-62.35
CCOCCC[N@@H+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C(C)C1	REAL300013588620	0	60	0.0	-74.62	441.96	7.53	-67.09
CCOCCC[N@H+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C(C)C1	REAL300013588620	1	60	0.0	-73.33	436.96	7.00	-66.33
CCOCCC[N@@H+]1CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])C(C)C1	REAL300013588621	0	63	0.0	-66.89	449.56	8.50	-58.39
CCOCCC[N@H+]1CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])C(C)C1	REAL300013588621	1	63	0.0	-68.74	449.84	7.81	-60.93
CCOCCC[N@@H+]1CCC(NC(=O)NCC(C)C(=O)[O-])C(C)C1	REAL300013588622	0	54	0.0	-78.49	405.71	6.61	-71.88
CCOCCC[N@H+]1CCC(NC(=O)NCC(C)C(=O)[O-])C(C)C1	REAL300013588622	1	54	0.0	-74.88	400.42	6.08	-68.80
CCOCCC[N@@H+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C(C)C1	REAL300013588623	0	60	0.0	-69.91	444.46	7.80	-62.11
CCOCCC[N@H+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C(C)C1	REAL300013588623	1	60	0.0	-66.73	434.79	7.39	-59.34
CCOCCC[N@@H+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)C1	REAL300013588624	0	67	0.0	-79.57	486.44	8.77	-70.80
CCOCCC[N@H+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)C1	REAL300013588624	1	67	0.0	-78.80	477.23	8.68	-70.12
CCOCCC[N@@H+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013588625	0	58	0.0	-70.35	430.09	7.90	-62.45
CCOCCC[N@H+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013588625	1	58	0.0	-70.50	425.68	7.38	-63.12
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)C(C)C1	REAL300013588626	0	64	0.0	-77.59	467.92	10.15	-67.44
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)C(C)C1	REAL300013588626	1	64	0.0	-76.98	458.78	10.03	-66.95
CCOCCC[N@@H+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C(C)C1	REAL300013588627	0	60	0.0	-75.84	436.32	6.78	-69.06
CCOCCC[N@H+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C(C)C1	REAL300013588627	1	60	0.0	-78.13	439.87	7.41	-70.72
CCOCCC[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C(C)C1	REAL300013588628	0	61	0.0	-69.69	451.95	8.28	-61.41
CCOCCC[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C(C)C1	REAL300013588628	1	61	0.0	-66.97	442.26	8.41	-58.56
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)C(C)C1	REAL300013588629	0	61	0.0	-74.97	444.11	9.16	-65.81
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)C(C)C1	REAL300013588629	1	61	0.0	-75.45	442.88	9.12	-66.33
CCOCCC[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCC2)C(C)C1	REAL300013588630	0	58	0.0	-66.59	424.73	7.49	-59.10
CCOCCC[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCC2)C(C)C1	REAL300013588630	1	58	0.0	-66.29	424.76	7.49	-58.80
CCOCCC[N@@H+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)C(C)C1	REAL300013588631	0	61	0.0	-69.59	452.70	8.69	-60.90
CCOCCC[N@H+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)C(C)C1	REAL300013588631	1	61	0.0	-69.63	447.84	8.39	-61.24
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C(C)C1	REAL300013588632	0	61	0.0	-78.64	440.72	8.99	-69.65
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C(C)C1	REAL300013588632	1	61	0.0	-76.49	431.65	8.90	-67.59
CCOCCC[N@@H+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C1	REAL300013588633	0	66	0.0	-72.68	470.79	8.51	-64.17
CCOCCC[N@H+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C1	REAL300013588633	1	66	0.0	-75.12	479.97	8.66	-66.46
CCOCCC[N@@H+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C(C)C1	REAL300013588634	0	58	0.0	-72.82	435.66	8.34	-64.48
CCOCCC[N@H+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C(C)C1	REAL300013588634	1	58	0.0	-72.78	444.86	8.44	-64.34
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])C2)C(C)C1	REAL300013588635	0	62	0.0	-83.28	453.11	8.01	-75.27
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])C2)C(C)C1	REAL300013588635	1	62	0.0	-86.55	457.95	8.33	-78.22
CCOCCC[N@@H+]1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013588636	0	55	0.0	-73.54	408.87	6.92	-66.62
CCOCCC[N@H+]1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013588636	1	55	0.0	-74.85	414.09	7.21	-67.64
CCOCCC[N@@H+]1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)C(C)C1	REAL300013588637	0	63	0.0	-76.63	457.28	5.71	-70.92
CCOCCC[N@H+]1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)C(C)C1	REAL300013588637	1	63	0.0	-75.99	466.99	5.86	-70.13
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013588638	0	58	0.0	-64.69	418.21	8.59	-56.10
CCOCCC[N@H+]1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013588638	1	58	0.0	-79.09	418.88	8.61	-70.48
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)C1	REAL300013588639	0	58	0.0	-79.45	419.33	8.62	-70.83
CCOCCC[N@H+]1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)C1	REAL300013588639	1	58	0.0	-79.04	418.82	8.61	-70.43
CCOCCC[N@@H+]1CCC(NC(=O)NC2CC(C(=O)[O-])C2)C(C)C1	REAL300013588640	0	55	0.0	-75.29	408.84	6.97	-68.32
CCOCCC[N@H+]1CCC(NC(=O)NC2CC(C(=O)[O-])C2)C(C)C1	REAL300013588640	1	55	0.0	-77.33	413.68	7.27	-70.06
CCOCCC[N@@H+]1CCC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)C1	REAL300013588641	0	55	0.0	-76.31	413.63	7.26	-69.05
CCOCCC[N@H+]1CCC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)C1	REAL300013588641	1	55	0.0	-77.29	413.61	7.26	-70.03
CCOCCC[N@@H+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C)C1	REAL300013588642	0	58	0.0	-79.78	441.59	8.45	-71.33
CCOCCC[N@H+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C)C1	REAL300013588642	1	58	0.0	-78.47	442.02	8.23	-70.24
CCOCCC[N@@H+]1CCC(NC(=O)NCC(CC)C(=O)[O-])C(C)C1	REAL300013588643	0	57	0.0	-67.28	422.65	7.42	-59.86
CCOCCC[N@H+]1CCC(NC(=O)NCC(CC)C(=O)[O-])C(C)C1	REAL300013588643	1	57	0.0	-66.31	418.24	6.90	-59.41
CCOCCC[N@@H+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])C(C)C1	REAL300013588644	0	64	0.0	-81.29	461.80	10.10	-71.19
CCOCCC[N@H+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])C(C)C1	REAL300013588644	1	64	0.0	-86.52	452.10	10.23	-76.29
CCOCCC[N@@H+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])C(C)C1	REAL300013588645	0	66	0.0	-80.56	494.66	9.77	-70.79
CCOCCC[N@H+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])C(C)C1	REAL300013588645	1	66	0.0	-77.70	490.25	9.26	-68.44
CCOCCC[N@@H+]1CCC(NC(=O)NCCCCCCC(=O)[O-])C(C)C1	REAL300013588646	0	63	0.0	-81.82	473.17	8.99	-72.83
CCOCCC[N@H+]1CCC(NC(=O)NCCCCCCC(=O)[O-])C(C)C1	REAL300013588646	1	63	0.0	-78.21	468.75	8.48	-69.73
CCOCCC[N@@H+]1CCC(NC(=O)N(C)CCCC(=O)[O-])C(C)C1	REAL300013588647	0	57	0.0	-76.22	421.91	8.51	-67.71
CCOCCC[N@H+]1CCC(NC(=O)N(C)CCCC(=O)[O-])C(C)C1	REAL300013588647	1	57	0.0	-77.85	421.43	8.73	-69.12
CCOCCC[N@@H+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C(C)C1	REAL300013588648	0	61	0.0	-84.33	433.10	9.56	-74.77
CCOCCC[N@H+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C(C)C1	REAL300013588648	1	61	0.0	-80.07	434.15	9.34	-70.73
CCOCCC[N@@H+]1CCC(NC(=O)N2CCCC(COC)(C(=O)[O-])C2)C(C)C1	REAL300013588649	0	65	0.0	-86.89	464.31	9.35	-77.54
CCOCCC[N@H+]1CCC(NC(=O)N2CCCC(COC)(C(=O)[O-])C2)C(C)C1	REAL300013588649	1	65	0.0	-82.85	465.05	9.13	-73.72
CCOCCC[N@@H+]1CCC(NC(=O)N(CCOC)CCC(=O)[O-])C(C)C1	REAL300013588650	0	61	0.0	-64.68	462.81	7.97	-56.71
CCOCCC[N@H+]1CCC(NC(=O)N(CCOC)CCC(=O)[O-])C(C)C1	REAL300013588650	1	61	0.0	-64.11	453.56	7.86	-56.25
CCOCCC[N@@H+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)C(C)C1	REAL300013588651	0	64	0.0	-84.22	463.41	10.56	-73.66
CCOCCC[N@H+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)C(C)C1	REAL300013588651	1	64	0.0	-80.34	468.23	10.13	-70.21
CCOCCC[N@@H+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C(C)C1	REAL300013588652	0	59	0.0	-70.87	439.98	7.37	-63.50
CCOCCC[N@H+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C(C)C1	REAL300013588652	1	59	0.0	-69.56	430.91	7.27	-62.29
CCOCCC[N@@H+]1CCC(NC(=O)N2CC(C(=O)[O-])CCC2C)C(C)C1	REAL300013588653	0	61	0.0	-64.08	433.32	9.19	-54.89
CCOCCC[N@H+]1CCC(NC(=O)N2CC(C(=O)[O-])CCC2C)C(C)C1	REAL300013588653	1	61	0.0	-57.56	433.56	9.42	-48.14
CCOCCC[N@@H+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C(C)C1	REAL300013588654	0	59	0.0	-80.43	427.88	6.38	-74.05
CCOCCC[N@H+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C(C)C1	REAL300013588654	1	59	0.0	-78.39	437.60	6.25	-72.14
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])CC2)C(C)C1	REAL300013588655	0	65	0.0	-78.81	462.30	8.78	-70.03
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])CC2)C(C)C1	REAL300013588655	1	65	0.0	-78.04	463.36	8.65	-69.39
CCOCCC[N@@H+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C(C)C1	REAL300013588656	0	56	0.0	-78.36	419.47	6.92	-71.44
CCOCCC[N@H+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C(C)C1	REAL300013588656	1	56	0.0	-83.07	423.86	7.45	-75.62
CCOCCC[N@@H+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C(C)C1	REAL300013588657	0	67	0.0	-71.87	465.69	8.89	-62.98
CCOCCC[N@H+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C(C)C1	REAL300013588657	1	67	0.0	-71.41	470.08	9.41	-62.00
CCOCCC[N@@H+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(C)C1	REAL300013588658	0	61	0.0	-67.14	438.43	8.53	-58.61
CCOCCC[N@H+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(C)C1	REAL300013588658	1	61	0.0	-71.87	444.62	8.86	-63.01
CCOCCC[N@@H+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C(C)C1	REAL300013588659	0	64	0.0	-77.32	463.07	8.62	-68.70
CCOCCC[N@H+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C(C)C1	REAL300013588659	1	64	0.0	-78.56	462.64	8.85	-69.71
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)C(C)C1	REAL300013588660	0	61	0.0	-71.76	445.60	9.37	-62.39
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)C(C)C1	REAL300013588660	1	61	0.0	-70.41	436.54	9.28	-61.13
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)C(C)C1	REAL300013588661	0	62	0.0	-77.42	462.12	8.76	-68.66
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)C(C)C1	REAL300013588661	1	62	0.0	-77.88	453.07	8.66	-69.22
CCOCCC[N@@H+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013588662	0	61	0.0	-74.08	444.64	7.91	-66.17
CCOCCC[N@H+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013588662	1	61	0.0	-75.27	444.19	8.13	-67.14
CCOCCC[N@@H+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)C(C)C1	REAL300013588663	0	61	0.0	-73.03	448.92	8.42	-64.61
CCOCCC[N@H+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)C(C)C1	REAL300013588663	1	61	0.0	-73.14	442.88	8.11	-65.03
CCOCCC[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)C(C)C1	REAL300013588664	0	62	0.0	-65.35	449.60	6.90	-58.45
CCOCCC[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)C(C)C1	REAL300013588664	1	62	0.0	-66.26	449.03	7.00	-59.26
CCOCCC[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)C(C)C1	REAL300013588665	0	59	0.0	-65.13	438.35	6.15	-58.98
CCOCCC[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)C(C)C1	REAL300013588665	1	59	0.0	-68.87	443.15	5.73	-63.14
CCOCCC[N@@H+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)C1	REAL300013588666	0	56	0.0	-72.99	425.62	7.93	-65.06
CCOCCC[N@H+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)C1	REAL300013588666	1	56	0.0	-74.00	420.44	7.64	-66.36
CCOCCC[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CC2)C(C)C1	REAL300013588667	0	55	0.0	-65.50	409.90	7.07	-58.43
CCOCCC[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CC2)C(C)C1	REAL300013588667	1	55	0.0	-65.86	419.12	7.17	-58.69
CCOCCC[N@@H+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C(C)C1	REAL300013588668	0	62	0.0	-68.90	446.48	9.39	-59.51
CCOCCC[N@H+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C(C)C1	REAL300013588668	1	62	0.0	-69.65	455.71	9.48	-60.17
CCOCCC[N@@H+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C(C)C1	REAL300013588669	0	59	0.0	-84.07	426.17	8.05	-76.02
CCOCCC[N@H+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C(C)C1	REAL300013588669	1	59	0.0	-85.44	430.86	8.35	-77.09
CCOCCC[N@@H+]1CCC(NC(=O)N2CC(C(=O)[O-])C2)C(C)C1	REAL300013588670	0	52	0.0	-68.73	390.01	7.12	-61.61
CCOCCC[N@H+]1CCC(NC(=O)N2CC(C(=O)[O-])C2)C(C)C1	REAL300013588670	1	52	0.0	-70.75	394.32	7.43	-63.32
CCOCCC[N@@H+]1CCC(NC(=O)N2CC(OC)CC(C(=O)[O-])C2)C(C)C1	REAL300013588671	0	62	0.0	-82.47	451.24	7.80	-74.67
CCOCCC[N@H+]1CCC(NC(=O)N2CC(OC)CC(C(=O)[O-])C2)C(C)C1	REAL300013588671	1	62	0.0	-65.58	451.74	7.60	-57.98
CCOCCC[N@@H+]1CCC(NC(=O)N2CCC(C(=O)[O-])C2)C(C)C1	REAL300013588672	0	55	0.0	-75.29	405.36	7.68	-67.61
CCOCCC[N@H+]1CCC(NC(=O)N2CCC(C(=O)[O-])C2)C(C)C1	REAL300013588672	1	55	0.0	-77.84	404.56	7.90	-69.94
CCOCCC[N@@H+]1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)C1	REAL300013588673	0	56	0.0	-79.78	429.36	7.52	-72.26
CCOCCC[N@H+]1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)C1	REAL300013588673	1	56	0.0	-80.05	429.36	7.52	-72.53
CCOCCC[N@@H+]1CCC(NC(=O)NC(C)CCC(=O)[O-])C(C)C1	REAL300013588674	0	57	0.0	-69.14	423.57	7.35	-61.79
CCOCCC[N@H+]1CCC(NC(=O)NC(C)CCC(=O)[O-])C(C)C1	REAL300013588674	1	57	0.0	-71.23	423.56	7.35	-63.88
O=C([O-])C1CCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)CC1	REAL300013588675	0	55	0.0	-78.04	401.96	4.84	-73.20
O=C([O-])C1CCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)CC1	REAL300013588675	1	55	0.0	-77.64	402.46	4.92	-72.72
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O=C([O-])C1=CC=C(CNC(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C=C1	REAL300013588676	1	55	0.0	-81.70	426.32	4.59	-77.11
O=C([O-])C1CN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)CCO1	REAL300013588677	0	53	0.0	-66.70	394.94	3.39	-63.31
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O=C([O-])C1CCC(NC(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)CC1	REAL300013588678	1	58	0.0	-83.26	428.62	4.18	-79.08
O=C([O-])CCCCNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300013588679	0	54	0.0	-80.82	409.80	3.28	-77.54
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O=C([O-])C1=CC(CNC(=O)NC2CC[N@H+](CCN3CCOCC3)C2)=CC=C1	REAL300013588680	0	55	0.0	-81.17	426.07	4.60	-76.57
O=C([O-])C1=CC(CNC(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)=CC=C1	REAL300013588680	1	55	0.0	-80.50	426.48	4.60	-75.90
O=C([O-])CCNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300013588681	0	48	0.0	-77.48	366.80	1.71	-75.77
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O=C([O-])CCCCCNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300013588682	1	57	0.0	-79.42	431.32	4.06	-75.36
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CC(C)(CNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013588683	1	54	0.0	-80.97	402.27	3.16	-77.81
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)C1	REAL300013588684	0	55	0.0	-81.55	406.60	4.52	-77.03
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013588684	1	55	0.0	-77.72	406.45	4.60	-73.12
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)C1	REAL300013588685	0	58	0.0	-65.68	423.91	5.44	-60.24
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013588685	1	58	0.0	-84.11	424.38	5.58	-78.53
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)CC1	REAL300013588686	0	58	0.0	-79.33	416.30	5.18	-74.15
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)CC1	REAL300013588686	1	58	0.0	-79.49	415.29	5.12	-74.37
O=C([O-])CCCNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300013588687	0	51	0.0	-75.16	388.24	2.46	-72.70
O=C([O-])CCCNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300013588687	1	51	0.0	-75.06	388.33	2.49	-72.57
CC1CCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)CC1C(=O)[O-]	REAL300013588688	0	58	0.0	-84.81	413.66	5.17	-79.64
CC1CCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)CC1C(=O)[O-]	REAL300013588688	1	58	0.0	-62.10	419.11	5.42	-56.68
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CCN3CCOCC3)C2)CCOCC1	REAL300013588689	0	59	0.0	-67.15	430.71	2.43	-64.72
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)CCOCC1	REAL300013588689	1	59	0.0	-68.32	428.40	2.65	-65.67
CC(C)(CCNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013588690	0	57	0.0	-76.23	420.94	3.33	-72.90
CC(C)(CCNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013588690	1	57	0.0	-75.61	422.00	3.39	-72.22
CCC(CC)(CNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013588691	0	60	0.0	-68.49	433.89	4.18	-64.31
CCC(CC)(CNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013588691	1	60	0.0	-67.14	431.74	4.49	-62.65
CC(CNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013588692	0	51	0.0	-79.05	385.35	2.46	-76.59
CC(CNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013588692	1	51	0.0	-79.10	386.19	2.48	-76.62
CC(C)C(CNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013588693	0	57	0.0	-66.77	418.84	3.76	-63.01
CC(C)C(CNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013588693	1	57	0.0	-69.04	424.50	3.66	-65.38
CC(NC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013588694	0	64	0.0	-82.09	460.72	4.91	-77.18
CC(NC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013588694	1	64	0.0	-82.90	464.23	5.41	-77.49
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[N@H+](CCN3CCOCC3)C2)C1	REAL300013588695	0	55	0.0	-75.41	409.72	3.76	-71.65
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013588695	1	55	0.0	-72.47	409.64	3.66	-68.81
O=C([O-])CCC1CCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)CC1	REAL300013588696	0	61	0.0	-81.19	442.75	6.30	-74.89
O=C([O-])CCC1CCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)CC1	REAL300013588696	1	61	0.0	-80.75	443.24	6.37	-74.38
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[N@H+](CCN3CCOCC3)C1)C2	REAL300013588697	0	57	0.0	-78.65	420.19	3.15	-75.50
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[N@@H+](CCN3CCOCC3)C1)C2	REAL300013588697	1	57	0.0	-77.57	419.92	3.01	-74.56
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CCN3CCOCC3)C2)CCCC1	REAL300013588698	0	58	0.0	-67.95	426.76	4.54	-63.41
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)CCCC1	REAL300013588698	1	58	0.0	-68.11	427.17	4.54	-63.57
CC1CN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)CCC1C(=O)[O-]	REAL300013588699	0	58	0.0	-76.85	417.73	5.20	-71.65
CC1CN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)CCC1C(=O)[O-]	REAL300013588699	1	58	0.0	-76.86	419.11	5.43	-71.43
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CCN3CCOCC3)C2)CCC1	REAL300013588700	0	55	0.0	-66.11	408.78	3.84	-62.27
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)CCC1	REAL300013588700	1	55	0.0	-64.45	407.45	3.93	-60.52
O=C([O-])CC(CNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)C1CC1	REAL300013588701	0	58	0.0	-72.07	432.38	4.52	-67.55
O=C([O-])CC(CNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)C1CC1	REAL300013588701	1	58	0.0	-77.84	434.23	4.48	-73.36
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)CC1	REAL300013588702	0	58	0.0	-79.33	416.30	5.18	-74.15
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)CC1	REAL300013588702	1	58	0.0	-79.49	415.29	5.12	-74.37
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)CC(=O)[O-]	REAL300013588703	0	63	0.0	-75.42	454.82	4.92	-70.50
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)CC(=O)[O-]	REAL300013588703	1	63	0.0	-75.25	454.74	4.78	-70.47
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300013588704	0	55	0.0	-72.77	419.71	4.70	-68.07
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300013588704	1	55	0.0	-73.02	420.08	4.70	-68.32
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)C1	REAL300013588705	0	59	0.0	-78.85	440.25	4.11	-74.74
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013588705	1	59	0.0	-84.85	437.86	4.19	-80.66
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[N@H+](CCN3CCOCC3)C2)C1	REAL300013588706	0	52	0.0	-75.70	393.34	3.04	-72.66
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013588706	1	52	0.0	-75.47	394.01	3.03	-72.44
O=C([O-])CN1CCC(NC(=O)NC2CC[N@H+](CCN3CCOCC3)C2)CC1	REAL300013588707	0	60	0.0	-80.53	441.28	2.05	-78.48
O=C([O-])CN1CCC(NC(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)CC1	REAL300013588707	1	60	0.0	-78.47	441.83	2.13	-76.34
O=C([O-])[C@@H]1CCCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)C1	REAL300013588708	0	55	0.0	-63.07	402.38	4.95	-58.12
O=C([O-])[C@@H]1CCCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013588708	1	55	0.0	-63.91	403.34	4.91	-59.00
O=C([O-])[C@H]1CCCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)C1	REAL300013588709	0	55	0.0	-84.60	404.25	4.97	-79.63
O=C([O-])[C@H]1CCCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013588709	1	55	0.0	-83.03	403.14	4.95	-78.08
O=C([O-])C1CC(NC(=O)NC2CC[N@H+](CCN3CCOCC3)C2)C1	REAL300013588710	0	52	0.0	-75.64	393.80	3.05	-72.59
O=C([O-])C1CC(NC(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013588710	1	52	0.0	-75.31	394.14	3.06	-72.25
O=C([O-])[C@H]1C[C@H](NC(=O)NC2CC[N@H+](CCN3CCOCC3)C2)C1	REAL300013588711	0	52	0.0	-78.07	393.18	3.07	-75.00
O=C([O-])[C@H]1C[C@H](NC(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013588711	1	52	0.0	-78.10	392.44	2.92	-75.18
O=C([O-])C1=CC(CNC(=O)NC2CC[N@H+](CCN3CCOCC3)C2)=CC=C1	REAL300013588712	0	55	0.0	-81.17	426.07	4.60	-76.57
O=C([O-])C1=CC(CNC(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)=CC=C1	REAL300013588712	1	55	0.0	-80.50	426.48	4.60	-75.90
CCC(CNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013588713	0	54	0.0	-66.78	402.38	3.39	-63.39
CCC(CNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013588713	1	54	0.0	-66.06	402.70	3.27	-62.79
O=C([O-])CCC1CCCCN1C(=O)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300013588714	0	61	0.0	-82.49	435.93	6.21	-76.28
O=C([O-])CCC1CCCCN1C(=O)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300013588714	1	61	0.0	-84.83	436.10	6.36	-78.47
O=C([O-])CCCCCCCNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300013588715	0	63	0.0	-81.80	474.30	5.63	-76.17
O=C([O-])CCCCCCCNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300013588715	1	63	0.0	-81.70	474.32	5.62	-76.08
O=C([O-])CCCCCCNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300013588716	0	60	0.0	-82.70	452.80	4.85	-77.85
O=C([O-])CCCCCCNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300013588716	1	60	0.0	-82.52	452.82	4.84	-77.68
CN(CCCC(=O)[O-])C(=O)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300013588717	0	54	0.0	-79.82	405.87	4.84	-74.98
CN(CCCC(=O)[O-])C(=O)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300013588717	1	54	0.0	-79.23	405.18	4.72	-74.51
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)C1	REAL300013588718	0	58	0.0	-84.04	417.85	5.57	-78.47
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013588718	1	58	0.0	-84.67	418.08	5.61	-79.06
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)C1	REAL300013588719	0	62	0.0	-87.85	449.71	4.73	-83.12
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013588719	1	62	0.0	-88.71	448.89	5.46	-83.25
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300013588720	0	58	0.0	-60.89	437.65	4.24	-56.65
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300013588720	1	58	0.0	-62.09	436.38	3.98	-58.11
O=C([O-])CCC1CCCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)C1	REAL300013588721	0	61	0.0	-83.91	443.03	6.39	-77.52
O=C([O-])CCC1CCCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013588721	1	61	0.0	-83.03	443.32	6.40	-76.63
O=C([O-])C(=O)N1CCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)CC1	REAL300013588722	0	56	0.0	-78.19	416.12	3.72	-74.47
O=C([O-])C(=O)N1CCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)CC1	REAL300013588722	1	56	0.0	-73.70	415.34	3.71	-69.99
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300013588723	0	58	0.0	-62.92	417.28	5.45	-57.47
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300013588723	1	58	0.0	-63.10	418.64	5.56	-57.54
O=C([O-])C1(O)CCCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)C1	REAL300013588724	0	56	0.0	-80.37	412.06	2.40	-77.97
O=C([O-])C1(O)CCCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013588724	1	56	0.0	-80.92	412.50	2.52	-78.40
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CCN3CCOCC3)C2)CC1	REAL300013588725	0	62	0.0	-81.63	447.26	5.12	-76.51
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)CC1	REAL300013588725	1	62	0.0	-80.05	446.48	5.13	-74.92
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CC(NC(=O)NCC1(C(=O)[O-])CCCOC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013589641	1	59	0.0	-68.45	441.82	8.60	-59.85
CC(NC(=O)NCC1(C(=O)[O-])CCOC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013589642	0	56	0.0	-69.02	424.03	7.40	-61.62
CC(NC(=O)NCC1(C(=O)[O-])CCOC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013589642	1	56	0.0	-60.47	425.27	7.53	-52.94
CC(NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013589643	0	53	0.0	-75.80	406.00	9.22	-66.58
CC(NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013589643	1	53	0.0	-76.34	415.32	9.51	-66.83
CC(NC(=O)NCC1(C(=O)[O-])CC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013589644	0	52	0.0	-58.38	404.58	9.28	-49.10
CC(NC(=O)NCC1(C(=O)[O-])CC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013589644	1	52	0.0	-67.31	398.69	8.96	-58.35
CC(NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013589645	0	59	0.0	-70.34	441.34	11.48	-58.86
CC(NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013589645	1	59	0.0	-69.63	440.36	11.43	-58.20
CC(NC(=O)N1CCOC(C)(C(=O)[O-])C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013589646	0	56	0.0	-83.09	419.46	9.83	-73.26
CC(NC(=O)N1CCOC(C)(C(=O)[O-])C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013589646	1	56	0.0	-82.02	421.51	10.24	-71.78
CC(NC(=O)N1CC(C(=O)[O-])C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013589647	0	49	0.0	-66.33	385.36	9.02	-57.31
CC(NC(=O)N1CC(C(=O)[O-])C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013589647	1	49	0.0	-66.43	385.57	9.17	-57.26
COC1CC(C(=O)[O-])CN(C(=O)NC(C)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013589648	0	59	0.0	-57.26	443.73	9.84	-47.42
COC1CC(C(=O)[O-])CN(C(=O)NC(C)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013589648	1	59	0.0	-65.85	443.06	9.65	-56.20
CC(NC(=O)N1CCC(C(=O)[O-])C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013589649	0	52	0.0	-78.05	397.94	9.69	-68.36
CC(NC(=O)N1CCC(C(=O)[O-])C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013589649	1	52	0.0	-77.74	399.20	9.74	-68.00
CC(NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013589650	0	53	0.0	-80.83	414.21	9.49	-71.34
CC(NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013589650	1	53	0.0	-81.36	414.40	9.48	-71.88
CC(CCC(=O)[O-])NC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013589651	0	54	0.0	-71.59	416.77	9.07	-62.52
CC(CCC(=O)[O-])NC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013589651	1	54	0.0	-71.52	419.24	9.24	-62.28
CC1=CC=C2NC3=C(CC(NC(=O)NC4CC[NH+](CC(=O)[O-])CC4)CC3)C2=C1	REAL300013589684	1	56	0.0	-38.60	427.16	8.73	-29.87
CCCCCC(CCCCC)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013589795	1	62	0.0	-33.97	456.92	10.04	-23.93
COC1C(C)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C12CCC2	REAL300013589866	1	53	0.0	-36.37	399.89	6.79	-29.58
CC1=CN=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)O1	REAL300013589916	1	44	0.0	-36.82	350.29	2.68	-34.14
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CCCOC1	REAL300013589952	1	49	0.0	-36.29	358.09	4.81	-31.48
O=C([O-])C[NH+]1CCC(NC(=O)NCCNC(=O)C2=CC=NN2)CC1	REAL300013590010	1	46	0.0	-42.16	371.15	1.17	-40.99
CC(CC1=CC=CC=C1C(F)(F)F)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013590081	1	51	0.0	-36.37	400.71	8.85	-27.52
CC1=CC=C2CC(C)C(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=C1	REAL300013590147	1	52	0.0	-37.18	398.07	8.79	-28.39
COCCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CO1	REAL300013590219	1	49	0.0	-38.39	388.78	5.22	-33.17
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CC(=O)N(C3CC3)C2)CC1	REAL300013590286	1	50	0.0	-42.77	384.12	5.61	-37.16
O=C([O-])C[NH+]1CCC(NC(=O)NCCCOCCOCC2=CC=CC=C2)CC1	REAL300013590357	1	59	0.0	-39.39	465.25	7.30	-32.09
N#CC1=CC=C(N2CCCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=O)C=C1	REAL300013590420	1	54	0.0	-46.50	431.82	7.87	-38.63
CC1=NN=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013590463	1	40	0.0	-40.11	334.33	3.06	-37.05
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2CCCCO2)CC1	REAL300013590505	1	49	0.0	-37.15	369.26	5.16	-31.99
C=CCSCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013590543	1	43	0.0	-37.30	351.85	5.89	-31.41
CC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])CC2)C(N2CCCC2)=[NH+]1	REAL300013590566	1	51	0.0	-63.94	377.52	8.61	-55.33
CC1=CC=C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(N2CCCC2)=[NH+]1	REAL300013590567	1	51	0.0	-69.28	401.65	8.24	-61.04
CC1=CC=C(CNC(=O)N2CCOC(C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590568	1	49	0.0	-54.01	370.72	7.06	-46.95
CC1=CC=C(CNC(=O)NC2CCC(C(=O)[O-])CC2)C(N2CCCC2)=[NH+]1	REAL300013590569	1	54	0.0	-60.07	398.54	8.32	-51.75
CC1=CC=C(CNC(=O)NCCCCC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013590570	1	50	0.0	-69.01	385.39	6.91	-62.10
CC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(N2CCCC2)=[NH+]1	REAL300013590571	1	51	0.0	-69.06	401.66	8.23	-60.83
CC1=CC=C(CNC(=O)NCCC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013590572	1	44	0.0	-65.86	342.39	5.34	-60.52
CC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013590573	1	53	0.0	-67.33	406.89	7.69	-59.64
CC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013590574	1	50	0.0	-69.13	377.25	6.81	-62.32
CC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590575	1	51	0.0	-71.60	381.88	8.26	-63.34
CC1=CC=C(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590576	1	54	0.0	-50.78	394.75	9.47	-41.31
CC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C(N2CCCC2)=[NH+]1	REAL300013590577	1	54	0.0	-65.89	390.97	8.92	-56.97
CC1=CC=C(CNC(=O)NCCCC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013590578	1	47	0.0	-63.03	363.89	6.13	-56.90
CC1=CC=C(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590579	1	54	0.0	-50.09	388.12	8.84	-41.25
CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C(N2CCCC2)=[NH+]1	REAL300013590580	1	55	0.0	-56.96	403.97	6.29	-50.67
CC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013590581	1	53	0.0	-63.90	397.18	7.02	-56.88
CCC(CC)(CNC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300013590582	1	56	0.0	-57.36	409.49	7.82	-49.54
CC1=CC=C(CNC(=O)NCC(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013590583	1	47	0.0	-67.03	360.06	6.08	-60.95
CC1=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C(N2CCCC2)=[NH+]1	REAL300013590584	1	53	0.0	-58.81	399.68	7.28	-51.53
CC1=CC=C(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(N2CCCC2)=[NH+]1	REAL300013590585	1	60	0.0	-71.70	436.58	8.72	-62.98
CC1=CC=C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(N2CCCC2)=[NH+]1	REAL300013590586	1	57	0.0	-58.64	432.77	9.45	-49.19
CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590587	1	51	0.0	-63.33	384.58	7.31	-56.02
CC1=CC=C(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C(N2CCCC2)=[NH+]1	REAL300013590588	1	57	0.0	-66.20	418.43	10.06	-56.14
CC1=CC=C(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590589	1	53	0.0	-69.05	395.89	6.79	-62.26
CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C(N2CCCC2)=[NH+]1	REAL300013590590	1	54	0.0	-56.80	402.34	8.18	-48.62
CC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C(N2CCCC2)=[NH+]1	REAL300013590591	1	54	0.0	-65.34	390.96	9.35	-55.99
CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCC2)C(N2CCCC2)=[NH+]1	REAL300013590592	1	51	0.0	-54.76	384.37	7.48	-47.28
CC1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C(N2CCCC2)=[NH+]1	REAL300013590593	1	54	0.0	-68.18	409.92	8.23	-59.95
CC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C(N2CCCC2)=[NH+]1	REAL300013590594	1	54	0.0	-65.89	390.97	8.92	-56.97
CC1=CC=C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(N2CCCC2)=[NH+]1	REAL300013590595	1	59	0.0	-59.90	435.25	8.67	-51.23
CC1=CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013590596	1	51	0.0	-62.55	395.26	8.35	-54.20
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)C1	REAL300013590597	1	55	0.0	-71.65	415.75	7.49	-64.16
CC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590598	1	48	0.0	-63.61	369.01	6.72	-56.89
CC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(N2CCCC2)=N1	REAL300013590599	1	56	0.0	-37.03	428.51	6.99	-30.04
CC1=CC=C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590600	1	51	0.0	-50.72	377.85	8.60	-42.12
CC1=CC=C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590601	1	51	0.0	-71.35	378.36	8.63	-62.72
CC1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590602	1	48	0.0	-63.52	369.36	6.70	-56.82
CC1=CC=C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590603	1	48	0.0	-65.81	369.17	6.74	-59.07
CC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(N2CCCC2)=[NH+]1	REAL300013590604	1	51	0.0	-69.06	401.66	8.23	-60.83
CCC(CNC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300013590605	1	50	0.0	-55.85	377.89	6.91	-48.94
CC1=CC=C(CNC(=O)N2CCCCC2CCC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013590606	1	57	0.0	-74.97	412.13	10.02	-64.95
CC1=CC=C(CNC(=O)NCCCCCCCC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013590607	1	59	0.0	-69.46	449.89	9.26	-60.20
CC1=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013590608	1	56	0.0	-70.61	428.39	8.48	-62.13
CC1=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013590609	1	50	0.0	-69.77	381.54	8.54	-61.23
CC1=CC=C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590610	1	54	0.0	-72.34	393.17	9.37	-62.97
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)C1	REAL300013590611	1	58	0.0	-75.64	423.74	9.27	-66.37
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1	REAL300013590612	1	54	0.0	-49.39	413.22	7.88	-41.51
CC1=CC=C(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590613	1	57	0.0	-72.05	418.73	10.05	-62.00
CC1=CC=C(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590614	1	55	0.0	-75.93	411.04	11.38	-64.55
CC1=CC=C(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C(N2CCCC2)=[NH+]1	REAL300013590615	1	52	0.0	-60.05	389.00	7.24	-52.81
CC1=CC=C(CNC(=O)N2CC(C(=O)[O-])CCC2C)C(N2CCCC2)=[NH+]1	REAL300013590616	1	54	0.0	-50.56	393.75	9.18	-41.38
CC1=CC=C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590617	1	52	0.0	-52.40	387.91	6.16	-46.24
CC1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C(N2CCCC2)=[NH+]1	REAL300013590618	1	55	0.0	-66.95	424.33	9.47	-57.48
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C)[NH+]=C2N2CCCC2)CC1	REAL300013590619	1	58	0.0	-69.05	422.98	8.04	-61.01
CC1=CC=C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C(N2CCCC2)=[NH+]1	REAL300013590620	1	49	0.0	-71.52	379.10	6.92	-64.60
CC1=CC=C(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C(N2CCCC2)=[NH+]1	REAL300013590621	1	60	0.0	-65.14	425.06	8.92	-56.22
CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(N2CCCC2)=[NH+]1	REAL300013590622	1	54	0.0	-60.08	398.52	8.32	-51.76
CC1=CC=C(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C(N2CCCC2)=[NH+]1	REAL300013590623	1	57	0.0	-68.52	422.72	8.62	-59.90
CC1=CC=C(CNC(=O)N2CCC(CC(=O)[O-])CC2)C(N2CCCC2)=[NH+]1	REAL300013590624	1	54	0.0	-59.25	396.11	9.28	-49.97
CC1=CC=C(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C(N2CCCC2)=[NH+]1	REAL300013590625	1	55	0.0	-68.45	412.67	8.70	-59.75
CC1=CC=C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590626	1	54	0.0	-64.93	404.26	7.95	-56.98
CC1=CC=C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590627	1	54	0.0	-64.68	403.76	7.92	-56.76
CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C(N2CCCC2)=[NH+]1	REAL300013590628	1	55	0.0	-55.19	406.22	6.49	-48.70
CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C(N2CCCC2)=[NH+]1	REAL300013590629	1	52	0.0	-56.39	391.04	5.47	-50.92
CC1=CC=C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(N2CCCC2)=[NH+]1	REAL300013590630	1	49	0.0	-63.76	380.51	7.43	-56.33
CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CC2)C(N2CCCC2)=[NH+]1	REAL300013590631	1	48	0.0	-53.26	369.53	7.07	-46.19
CC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C(N2CCCC2)=[NH+]1	REAL300013590632	1	55	0.0	-56.97	406.14	9.40	-47.57
CC1=CC=C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013590633	1	52	0.0	-72.39	386.20	7.86	-64.53
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CC1(C(=O)[O-])CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1	REAL300013593509	0	49	0.0	-75.30	349.67	5.73	-69.57
CC1(C(=O)[O-])CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1	REAL300013593509	1	49	0.0	-76.98	346.87	5.53	-71.45
CC1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1C(=O)[O-]	REAL300013593510	0	49	0.0	-59.39	347.71	5.68	-53.71
CC1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1C(=O)[O-]	REAL300013593510	1	49	0.0	-82.14	346.12	5.55	-76.59
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CC(C)(CCNC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300013593512	0	48	0.0	-71.92	355.65	3.84	-68.08
CC(C)(CCNC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300013593512	1	48	0.0	-73.87	352.91	3.64	-70.23
CCC(CC)(CNC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300013593513	0	51	0.0	-61.93	363.25	4.81	-57.12
CCC(CC)(CNC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300013593513	1	51	0.0	-65.99	365.22	4.44	-61.55
CC(C)C(CNC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300013593514	0	48	0.0	-62.46	350.68	4.22	-58.24
CC(C)C(CNC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300013593514	1	48	0.0	-67.13	355.42	3.91	-63.22
CC(NC(=O)NCC[N@@H+]1CCCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013593515	0	55	0.0	-78.63	395.30	5.52	-73.11
CC(NC(=O)NCC[N@H+]1CCCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013593515	1	55	0.0	-79.42	392.12	5.33	-74.09
CC(CNC(=O)NCC[N@@H+]1CCCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013593516	0	52	0.0	-61.74	385.86	6.51	-55.23
CC(CNC(=O)NCC[N@H+]1CCCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013593516	1	52	0.0	-63.91	383.12	6.31	-57.60
O=C([O-])CCC1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1	REAL300013593517	0	52	0.0	-77.18	376.85	6.89	-70.29
O=C([O-])CCC1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1	REAL300013593517	1	52	0.0	-78.06	373.80	6.69	-71.37
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC[N@@H+]1CCCOCC1)C2	REAL300013593518	0	48	0.0	-73.35	353.79	3.63	-69.72
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC[N@H+]1CCCOCC1)C2	REAL300013593518	1	48	0.0	-75.57	351.46	3.37	-72.20
O=C([O-])C1(CNC(=O)NCC[N@@H+]2CCCOCC2)CCCC1	REAL300013593519	0	49	0.0	-62.95	358.82	4.82	-58.13
O=C([O-])C1(CNC(=O)NCC[N@H+]2CCCOCC2)CCCC1	REAL300013593519	1	49	0.0	-65.42	358.10	4.81	-60.61
CC1CN(C(=O)NCC[N@@H+]2CCCOCC2)CCC1C(=O)[O-]	REAL300013593520	0	49	0.0	-73.53	349.49	6.17	-67.36
CC1CN(C(=O)NCC[N@H+]2CCCOCC2)CCC1C(=O)[O-]	REAL300013593520	1	49	0.0	-75.78	347.06	5.96	-69.82
O=C([O-])CC(CNC(=O)NCC[N@@H+]1CCCOCC1)C1CC1	REAL300013593521	0	49	0.0	-74.33	367.89	4.96	-69.37
O=C([O-])CC(CNC(=O)NCC[N@H+]1CCCOCC1)C1CC1	REAL300013593521	1	49	0.0	-75.73	365.39	4.85	-70.88
CC1(C(=O)[O-])CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1	REAL300013593522	0	49	0.0	-75.30	349.67	5.73	-69.57
CC1(C(=O)[O-])CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1	REAL300013593522	1	49	0.0	-76.98	346.87	5.53	-71.45
CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)CC(=O)[O-]	REAL300013593523	0	54	0.0	-70.93	388.87	5.34	-65.59
CC(C)C[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)CC(=O)[O-]	REAL300013593523	1	54	0.0	-71.73	385.59	5.18	-66.55
O=C([O-])C1=CC=CC=C1CNC(=O)NCC[N@@H+]1CCCOCC1	REAL300013593524	0	46	0.0	-67.69	353.73	5.17	-62.52
O=C([O-])C1=CC=CC=C1CNC(=O)NCC[N@H+]1CCCOCC1	REAL300013593524	1	46	0.0	-70.12	351.02	4.96	-65.16
COCC1(C(=O)[O-])CCN(C(=O)NCC[N@@H+]2CCCOCC2)C1	REAL300013593525	0	50	0.0	-73.32	372.77	4.82	-68.50
COCC1(C(=O)[O-])CCN(C(=O)NCC[N@H+]2CCCOCC2)C1	REAL300013593525	1	50	0.0	-77.89	371.36	3.95	-73.94
O=C([O-])CN1CCC(NC(=O)NCC[N@@H+]2CCCOCC2)CC1	REAL300013593526	0	51	0.0	-75.99	375.40	2.55	-73.44
O=C([O-])CN1CCC(NC(=O)NCC[N@H+]2CCCOCC2)CC1	REAL300013593526	1	51	0.0	-76.16	373.06	2.39	-73.77
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC[N@@H+]3CCCOCC3)C2)C=N1	REAL300013593527	0	56	0.0	-74.57	414.35	6.90	-67.67
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC[N@H+]3CCCOCC3)C2)C=N1	REAL300013593527	1	56	0.0	-72.66	412.06	6.62	-66.04
O=C([O-])C1=CC(CNC(=O)NCC[N@@H+]2CCCOCC2)=CC=C1	REAL300013593528	0	46	0.0	-76.93	359.70	5.09	-71.84
O=C([O-])C1=CC(CNC(=O)NCC[N@H+]2CCCOCC2)=CC=C1	REAL300013593528	1	46	0.0	-78.83	357.39	4.85	-73.98
COC(=O)C1CC2(C1)CN(C(=O)NCC[N@@H+]1CCCOCC1)CC2C(=O)[O-]	REAL300013593529	0	56	0.0	-67.67	419.11	6.89	-60.78
COC(=O)C1CC2(C1)CN(C(=O)NCC[N@H+]1CCCOCC1)CC2C(=O)[O-]	REAL300013593529	1	56	0.0	-63.49	416.80	6.70	-56.79
O=C([O-])CCC1CCCCN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300013593530	0	52	0.0	-79.22	369.81	6.86	-72.36
O=C([O-])CCC1CCCCN1C(=O)NCC[N@H+]1CCCOCC1	REAL300013593530	1	52	0.0	-80.77	367.74	6.64	-74.13
O=C([O-])CCCCCCCNC(=O)NCC[N@@H+]1CCCOCC1	REAL300013593531	0	54	0.0	-77.39	408.35	6.08	-71.31
O=C([O-])CCCCCCCNC(=O)NCC[N@H+]1CCCOCC1	REAL300013593531	1	54	0.0	-79.45	405.62	5.88	-73.57
O=C([O-])CCCCCCNC(=O)NCC[N@@H+]1CCCOCC1	REAL300013593532	0	51	0.0	-78.20	386.85	5.30	-72.90
O=C([O-])CCCCCCNC(=O)NCC[N@H+]1CCCOCC1	REAL300013593532	1	51	0.0	-80.09	384.12	5.10	-74.99
CC1(C(=O)[O-])CCCN(C(=O)NCC[N@@H+]2CCCOCC2)C1	REAL300013593533	0	49	0.0	-80.04	352.28	6.17	-73.87
CC1(C(=O)[O-])CCCN(C(=O)NCC[N@H+]2CCCOCC2)C1	REAL300013593533	1	49	0.0	-81.67	349.37	6.01	-75.66
COCC1(C(=O)[O-])CCCN(C(=O)NCC[N@@H+]2CCCOCC2)C1	REAL300013593534	0	53	0.0	-82.77	382.25	6.07	-76.70
COCC1(C(=O)[O-])CCCN(C(=O)NCC[N@H+]2CCCOCC2)C1	REAL300013593534	1	53	0.0	-84.71	380.23	5.81	-78.90
COCCN(CCC(=O)[O-])C(=O)NCC[N@@H+]1CCCOCC1	REAL300013593535	0	49	0.0	-58.68	371.25	4.74	-53.94
COCCN(CCC(=O)[O-])C(=O)NCC[N@H+]1CCCOCC1	REAL300013593535	1	49	0.0	-58.69	364.62	4.73	-53.96
O=C([O-])[C@]12CN(C(=O)NCC[N@@H+]3CCCOCC3)C[C@H]1C1=CC=CC=C1OC2	REAL300013593536	0	55	0.0	-80.87	408.93	6.95	-73.92
O=C([O-])[C@]12CN(C(=O)NCC[N@H+]3CCCOCC3)C[C@H]1C1=CC=CC=C1OC2	REAL300013593536	1	55	0.0	-80.88	407.41	7.22	-73.66
O=C([O-])CCC1CCCN(C(=O)NCC[N@@H+]2CCCOCC2)C1	REAL300013593537	0	52	0.0	-79.19	377.22	6.87	-72.32
O=C([O-])CCC1CCCN(C(=O)NCC[N@H+]2CCCOCC2)C1	REAL300013593537	1	52	0.0	-80.75	374.17	6.70	-74.05
O=C([O-])C1CN(C(=O)NCC[N@@H+]2CCCOCC2)CC2=CC=CC=C21	REAL300013593538	0	50	0.0	-82.30	370.44	7.42	-74.88
O=C([O-])C1CN(C(=O)NCC[N@H+]2CCCOCC2)CC2=CC=CC=C21	REAL300013593538	1	50	0.0	-79.30	366.51	8.02	-71.28
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC[N@@H+]2CCCOCC2)CCO1	REAL300013593539	0	57	0.0	-73.04	419.43	5.67	-67.37
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC[N@H+]2CCCOCC2)CCO1	REAL300013593539	1	57	0.0	-86.13	415.43	4.91	-81.22
O=C([O-])C(=O)N1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1	REAL300013593540	0	47	0.0	-69.32	349.23	4.17	-65.15
O=C([O-])C(=O)N1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1	REAL300013593540	1	47	0.0	-70.65	346.33	3.96	-66.69
CC1CCC(C(=O)[O-])CN1C(=O)NCC[N@@H+]1CCCOCC1	REAL300013593541	0	49	0.0	-58.53	352.29	6.00	-52.53
CC1CCC(C(=O)[O-])CN1C(=O)NCC[N@H+]1CCCOCC1	REAL300013593541	1	49	0.0	-61.70	349.79	5.84	-55.86
O=C([O-])[C@@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@H]1C1=CC=CC=C1	REAL300013593542	0	53	0.0	-63.22	396.80	8.45	-54.77
O=C([O-])[C@@H]1CN(C(=O)NCC[N@H+]2CCCOCC2)C[C@H]1C1=CC=CC=C1	REAL300013593542	1	53	0.0	-65.45	395.09	7.80	-57.65
O=C([O-])C1(O)CCCN(C(=O)NCC[N@@H+]2CCCOCC2)C1	REAL300013593543	0	47	0.0	-76.46	346.41	2.99	-73.47
O=C([O-])C1(O)CCCN(C(=O)NCC[N@H+]2CCCOCC2)C1	REAL300013593543	1	47	0.0	-77.88	343.45	2.82	-75.06
O=C([O-])C1CC(NC(=O)NCC[N@@H+]2CCCOCC2)C2=CC=CC=C21	REAL300013593544	0	50	0.0	-72.84	378.06	6.12	-66.72
O=C([O-])C1CC(NC(=O)NCC[N@H+]2CCCOCC2)C2=CC=CC=C21	REAL300013593544	1	50	0.0	-75.93	376.99	6.00	-69.93
O=C([O-])CN1CCCCC(NC(=O)NCC[N@@H+]2CCCOCC2)C1=O	REAL300013593545	0	53	0.0	-84.12	388.49	5.25	-78.87
O=C([O-])CN1CCCCC(NC(=O)NCC[N@H+]2CCCOCC2)C1=O	REAL300013593545	1	53	0.0	-83.87	385.67	5.07	-78.80
COCC1(C(=O)[O-])CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1	REAL300013593546	0	53	0.0	-77.03	380.47	5.62	-71.41
COCC1(C(=O)[O-])CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1	REAL300013593546	1	53	0.0	-77.62	377.44	5.43	-72.19
O=C([O-])CC1(CNC(=O)NCC[N@@H+]2CCCOCC2)CCCCC1	REAL300013593547	0	55	0.0	-68.74	383.59	5.71	-63.03
O=C([O-])CC1(CNC(=O)NCC[N@H+]2CCCOCC2)CCCCC1	REAL300013593547	1	55	0.0	-77.64	380.76	5.56	-72.08
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CCCOCC2)CC1	REAL300013593548	0	49	0.0	-68.25	357.93	5.24	-63.01
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC[N@H+]2CCCOCC2)CC1	REAL300013593548	1	49	0.0	-67.71	355.59	5.16	-62.55
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC[N@@H+]2CCCOCC2)CC1	REAL300013593549	0	52	0.0	-77.51	382.50	5.47	-72.04
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC[N@H+]2CCCOCC2)CC1	REAL300013593549	1	52	0.0	-79.45	379.78	5.28	-74.17
O=C([O-])CC1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1	REAL300013593550	0	49	0.0	-68.47	354.54	6.10	-62.37
O=C([O-])CC1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1	REAL300013593550	1	49	0.0	-78.14	351.49	5.92	-72.22
O=C([O-])COC1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1	REAL300013593551	0	50	0.0	-77.87	370.74	5.58	-72.29
O=C([O-])COC1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1	REAL300013593551	1	50	0.0	-78.67	368.09	5.33	-73.34
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC[N@@H+]2CCCOCC2)C1	REAL300013593552	0	49	0.0	-72.62	362.74	4.75	-67.87
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC[N@H+]2CCCOCC2)C1	REAL300013593552	1	49	0.0	-72.07	360.80	4.78	-67.29
O=C([O-])C1CCCC(NC(=O)NCC[N@@H+]2CCCOCC2)C1	REAL300013593553	0	49	0.0	-69.70	357.80	5.16	-64.54
O=C([O-])C1CCCC(NC(=O)NCC[N@H+]2CCCOCC2)C1	REAL300013593553	1	49	0.0	-71.93	355.60	4.99	-66.94
O=C([O-])C1(CNC(=O)NCC[N@@H+]2CCCOCC2)CCCOC1	REAL300013593554	0	50	0.0	-63.56	362.78	3.19	-60.37
O=C([O-])C1(CNC(=O)NCC[N@H+]2CCCOCC2)CCCOC1	REAL300013593554	1	50	0.0	-63.60	361.98	3.11	-60.49
O=C([O-])C1(CNC(=O)NCC[N@@H+]2CCCOCC2)CCOC1	REAL300013593555	0	47	0.0	-63.47	349.49	2.29	-61.18
O=C([O-])C1(CNC(=O)NCC[N@H+]2CCCOCC2)CCOC1	REAL300013593555	1	47	0.0	-64.92	346.79	2.09	-62.83
CC(C)(CC1=CC=C(CNC(=O)NCC[N@@H+]2CCCOCC2)C=C1)C(=O)[O-]	REAL300013593556	0	58	0.0	-77.35	434.74	7.44	-69.91
CC(C)(CC1=CC=C(CNC(=O)NCC[N@H+]2CCCOCC2)C=C1)C(=O)[O-]	REAL300013593556	1	58	0.0	-79.47	432.61	7.24	-72.23
O=C([O-])C1CN(C(=O)NCC[N@@H+]2CCCOCC2)CC12CCC2	REAL300013593557	0	50	0.0	-66.10	365.76	6.26	-59.84
O=C([O-])C1CN(C(=O)NCC[N@H+]2CCCOCC2)CC12CCC2	REAL300013593557	1	50	0.0	-68.04	362.60	6.04	-62.00
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCC[N@@H+]2CCCOCC2)C1	REAL300013593558	0	46	0.0	-70.91	355.67	5.33	-65.58
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCC[N@H+]2CCCOCC2)C1	REAL300013593558	1	46	0.0	-73.12	352.96	5.13	-67.99
CC1(C(=O)[O-])CN(C(=O)NCC[N@@H+]2CCCOCC2)CCO1	REAL300013593559	0	47	0.0	-80.36	344.70	4.69	-75.67
CC1(C(=O)[O-])CN(C(=O)NCC[N@H+]2CCCOCC2)CCO1	REAL300013593559	1	47	0.0	-81.96	341.73	4.51	-77.45
COC1CC(C(=O)[O-])CN(C(=O)NCC[N@@H+]2CCCOCC2)C1	REAL300013593560	0	50	0.0	-59.58	368.13	4.55	-55.03
COC1CC(C(=O)[O-])CN(C(=O)NCC[N@H+]2CCCOCC2)C1	REAL300013593560	1	50	0.0	-61.81	364.42	4.34	-57.47
O=C([O-])CN1C(=O)NC2(CCN(C(=O)NCC[N@@H+]3CCCOCC3)CC2)C1=O	REAL300013593561	0	55	0.0	-86.38	415.34	3.99	-82.39
O=C([O-])CN1C(=O)NC2(CCN(C(=O)NCC[N@H+]3CCCOCC3)CC2)C1=O	REAL300013593561	1	55	0.0	-88.89	412.39	3.82	-85.07
COC1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(Cl)=C1OC	REAL300013593590	1	53	0.0	-45.21	430.29	6.80	-38.41
CN1N=CC(CCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013593641	1	47	0.0	-44.15	372.61	3.95	-40.20
COC1(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCC1	REAL300013593702	1	49	0.0	-37.63	368.46	4.75	-32.88
COCC1(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCC1	REAL300013593756	1	52	0.0	-36.41	391.59	5.55	-30.86
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC(=O)NC=C1	REAL300013593812	1	45	0.0	-46.69	356.05	3.94	-42.75
NS(=O)(=O)CCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013593876	1	46	0.0	-47.96	372.71	-0.23	-48.19
CC(C)(C)C1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013593926	1	51	0.0	-35.27	373.88	6.98	-28.29
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(N2C=CC=N2)C(F)=C1	REAL300013593983	1	52	0.0	-40.10	412.36	8.30	-31.80
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC(Br)=CC=C2F)CC1	REAL300013594049	1	42	0.0	-36.10	360.01	6.90	-29.20
CCOC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCC1	REAL300013594108	1	52	0.0	-34.94	384.49	5.87	-29.07
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC3=CC=CC=C3S2)CC1	REAL300013594176	1	48	0.0	-43.80	392.03	8.57	-35.23
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC(C(F)(F)F)=CC=N2)CC1	REAL300013594252	1	47	0.0	-43.88	387.75	6.24	-37.64
O=C([O-])C1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1	REAL300013594363	0	51	0.0	-72.87	379.98	8.72	-64.15
O=C([O-])C1=CC=C(CNC(=O)NCCCCC[NH+]2CCCC2)C=C1	REAL300013594364	0	51	0.0	-75.92	404.07	8.37	-67.55
O=C([O-])C1CN(C(=O)NCCCCC[NH+]2CCCC2)CCO1	REAL300013594365	0	49	0.0	-64.70	373.12	7.20	-57.50
O=C([O-])C1CCC(NC(=O)NCCCCC[NH+]2CCCC2)CC1	REAL300013594366	0	54	0.0	-77.55	406.71	8.06	-69.49
O=C([O-])C1=CC(CNC(=O)NCCCCC[NH+]2CCCC2)=CC=C1	REAL300013594367	0	51	0.0	-76.55	404.08	8.35	-68.20
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COCC[N@@H+](C)CCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013594699	1	51	0.0	-75.19	374.99	6.15	-69.04
COCC[N@H+](C)CCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013594700	0	56	0.0	-71.67	413.99	5.77	-65.90
COCC[N@@H+](C)CCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013594700	1	56	0.0	-72.63	414.19	5.75	-66.88
COCC[N@H+](C)CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013594701	0	48	0.0	-71.66	379.02	5.58	-66.08
COCC[N@@H+](C)CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013594701	1	48	0.0	-70.72	379.07	5.57	-65.15
COCC[N@H+](C)CCCNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013594702	0	52	0.0	-76.68	399.36	4.56	-72.12
COCC[N@@H+](C)CCCNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013594702	1	52	0.0	-77.91	399.40	4.56	-73.35
COCC[N@H+](C)CCCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013594703	0	53	0.0	-73.49	401.11	3.04	-70.45
COCC[N@@H+](C)CCCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013594703	1	53	0.0	-73.75	401.19	3.02	-70.73
COCC[N@H+](C)CCCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013594704	0	58	0.0	-81.10	444.84	7.14	-73.96
COCC[N@@H+](C)CCCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013594704	1	58	0.0	-81.49	444.85	7.15	-74.34
COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013594705	0	48	0.0	-60.76	361.50	5.84	-54.92
COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013594705	1	48	0.0	-60.71	361.63	5.84	-54.87
COCC[N@H+](C)CCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013594706	0	48	0.0	-61.38	362.03	5.87	-55.51
COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013594706	1	48	0.0	-62.68	362.86	5.90	-56.78
COCC[N@H+](C)CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013594707	0	48	0.0	-77.09	385.40	5.47	-71.62
COCC[N@@H+](C)CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013594707	1	48	0.0	-76.65	385.45	5.46	-71.19
COCC[N@H+](C)CCCNC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013594708	0	58	0.0	-70.42	445.94	7.32	-63.10
COCC[N@@H+](C)CCCNC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013594708	1	58	0.0	-70.62	445.98	7.35	-63.27
COCC[N@H+](C)CCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013594709	0	54	0.0	-80.72	395.44	7.22	-73.50
COCC[N@@H+](C)CCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013594709	1	54	0.0	-80.63	395.52	7.25	-73.38
COCC[N@H+](C)CCCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013594710	0	56	0.0	-76.90	433.67	6.49	-70.41
COCC[N@@H+](C)CCCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013594710	1	56	0.0	-77.04	433.68	6.49	-70.55
COCC[N@H+](C)CCCNC(=O)NCCCCCCC(=O)[O-]	REAL300013594711	0	53	0.0	-77.70	412.17	5.71	-71.99
COCC[N@@H+](C)CCCNC(=O)NCCCCCCC(=O)[O-]	REAL300013594711	1	53	0.0	-77.78	412.18	5.71	-72.07
COCC[N@H+](C)CCCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013594712	0	51	0.0	-79.49	377.00	6.61	-72.88
COCC[N@@H+](C)CCCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013594712	1	51	0.0	-79.68	377.02	6.63	-73.05
COCC[N@H+](C)CCCNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013594713	0	55	0.0	-83.71	409.06	5.78	-77.93
COCC[N@@H+](C)CCCNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013594713	1	55	0.0	-82.64	408.55	6.39	-76.25
COCCN(CCC(=O)[O-])C(=O)NCCC[N@H+](C)CCOC	REAL300013594714	0	51	0.0	-59.87	397.00	5.13	-54.74
COCCN(CCC(=O)[O-])C(=O)NCCC[N@@H+](C)CCOC	REAL300013594714	1	51	0.0	-60.25	396.98	5.12	-55.13
COCC[N@H+](C)CCCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013594715	0	57	0.0	-80.69	435.37	7.35	-73.34
COCC[N@@H+](C)CCCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013594715	1	57	0.0	-81.14	435.42	7.35	-73.79
COCC[N@H+](C)CCCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013594716	0	54	0.0	-78.52	402.41	7.32	-71.20
COCC[N@@H+](C)CCCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013594716	1	54	0.0	-78.79	402.54	7.31	-71.48
COCC[N@H+](C)CCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013594717	0	52	0.0	-77.48	395.52	8.35	-69.13
COCC[N@@H+](C)CCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013594717	1	52	0.0	-80.94	394.78	8.61	-72.33
COCC[N@H+](C)CCCNC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013594718	0	59	0.0	-69.56	450.34	6.34	-63.22
COCC[N@@H+](C)CCCNC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013594718	1	59	0.0	-69.15	450.31	6.51	-62.64
COCC[N@H+](C)CCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013594719	0	49	0.0	-68.72	374.24	4.59	-64.13
COCC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013594719	1	49	0.0	-69.09	374.69	4.62	-64.47
COCC[N@H+](C)CCCNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013594720	0	51	0.0	-61.04	377.45	6.43	-54.61
COCC[N@@H+](C)CCCNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013594720	1	51	0.0	-60.62	377.57	6.40	-54.22
COCC[N@H+](C)CCCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013594721	0	55	0.0	-67.23	424.80	8.47	-58.76
COCC[N@@H+](C)CCCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013594721	1	55	0.0	-67.50	424.84	8.46	-59.04
COCC[N@H+](C)CCCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013594722	0	49	0.0	-75.98	371.79	3.42	-72.56
COCC[N@@H+](C)CCCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013594722	1	49	0.0	-76.14	371.77	3.43	-72.71
COCC[N@H+](C)CCCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013594723	0	52	0.0	-73.40	405.82	6.62	-66.78
COCC[N@@H+](C)CCCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013594723	1	52	0.0	-72.97	403.65	6.49	-66.48
COCC[N@H+](C)CCCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013594724	0	55	0.0	-85.91	413.74	5.67	-80.24
COCC[N@@H+](C)CCCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013594724	1	55	0.0	-84.27	413.76	5.69	-78.58
COCC[N@H+](C)CCCNC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013594725	0	55	0.0	-75.94	405.63	6.03	-69.91
COCC[N@@H+](C)CCCNC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013594725	1	55	0.0	-78.37	407.00	5.28	-73.09
COCC[N@H+](C)CCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013594726	0	57	0.0	-67.78	408.73	6.16	-61.62
COCC[N@@H+](C)CCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013594726	1	57	0.0	-68.49	408.80	6.16	-62.33
COCC[N@H+](C)CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013594727	0	51	0.0	-68.99	382.31	5.53	-63.46
COCC[N@@H+](C)CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013594727	1	51	0.0	-69.23	383.65	5.61	-63.62
COCC[N@H+](C)CCCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013594728	0	54	0.0	-76.73	407.81	5.88	-70.85
COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013594728	1	54	0.0	-76.18	406.51	5.86	-70.32
COCC[N@H+](C)CCCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013594729	0	51	0.0	-68.66	379.88	6.53	-62.13
COCC[N@@H+](C)CCCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013594729	1	51	0.0	-68.57	379.89	6.53	-62.04
COCC[N@H+](C)CCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013594730	0	52	0.0	-77.46	396.41	5.92	-71.54
COCC[N@@H+](C)CCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013594730	1	52	0.0	-77.07	396.42	5.94	-71.13
COCC[N@H+](C)CCCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013594731	0	51	0.0	-72.76	388.06	5.16	-67.60
COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013594731	1	51	0.0	-72.60	388.08	5.18	-67.42
COCC[N@H+](C)CCCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013594732	0	51	0.0	-69.69	383.61	5.60	-64.09
COCC[N@@H+](C)CCCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013594732	1	51	0.0	-70.25	383.65	5.60	-64.65
COCC[N@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013594733	0	52	0.0	-64.22	389.97	3.74	-60.48
COCC[N@@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013594733	1	52	0.0	-69.46	392.89	4.01	-65.45
COCC[N@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013594734	0	49	0.0	-64.54	374.78	2.72	-61.82
COCC[N@@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013594734	1	49	0.0	-65.53	374.83	2.71	-62.82
COCC[N@H+](C)CCCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013594735	0	60	0.0	-76.46	460.70	7.85	-68.61
COCC[N@@H+](C)CCCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013594735	1	60	0.0	-76.59	460.71	7.86	-68.73
COCC[N@H+](C)CCCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013594736	0	52	0.0	-66.20	389.94	6.62	-59.58
COCC[N@@H+](C)CCCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013594736	1	52	0.0	-67.18	391.16	6.69	-60.49
COCC[N@H+](C)CCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013594737	0	48	0.0	-68.86	382.13	5.71	-63.15
COCC[N@@H+](C)CCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013594737	1	48	0.0	-69.55	381.62	5.72	-63.83
COCC[N@H+](C)CCCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013594738	0	49	0.0	-79.51	370.04	5.09	-74.42
COCC[N@@H+](C)CCCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013594738	1	49	0.0	-79.74	370.05	5.09	-74.65
COCC[N@H+](C)CCCNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013594739	0	52	0.0	-62.75	393.10	4.95	-57.80
COCC[N@@H+](C)CCCNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013594739	1	52	0.0	-62.17	394.98	4.87	-57.30
COCC[N@H+](C)CCCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013594740	0	57	0.0	-84.79	440.57	4.42	-80.37
COCC[N@@H+](C)CCCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013594740	1	57	0.0	-85.37	440.71	4.42	-80.95
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3CCCC3=O)C=C2)CC1	REAL300013594774	1	53	0.0	-45.93	410.52	7.37	-38.56
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC3=CC=CC=C3C=C2)CC1	REAL300013594848	1	52	0.0	-39.11	409.07	8.17	-30.94
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CN3C=CC=CC3=N2)CC1	REAL300013594921	1	48	0.0	-44.74	381.55	7.54	-37.20
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3CCCC3)C=C2)CC1	REAL300013594997	1	54	0.0	-39.62	410.60	6.74	-32.88
COC1=CC=C(F)C=C1C(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013595070	1	49	0.0	-37.63	384.09	6.58	-31.05
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=CC=C3)CCCCC2)CC1	REAL300013595145	1	58	0.0	-35.40	419.11	9.66	-25.74
CC(C)CC(C[NH+](C)C)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013595200	0	50	0.0	-75.14	389.92	8.05	-67.09
CC(C)CC(C[NH+](C)C)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013595201	0	48	0.0	-81.65	357.50	6.71	-74.94
CC(C)CC(C[NH+](C)C)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013595202	0	53	0.0	-57.33	384.58	8.19	-49.14
CC(C)CC(C[NH+](C)C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013595203	0	50	0.0	-72.06	389.92	8.04	-64.02
CC(C)CC(C[NH+](C)C)NC(=O)NCCCCCC(=O)[O-]	REAL300013595204	0	52	0.0	-70.00	394.13	7.83	-62.17
CC(C)CC(C[NH+](C)C)NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013595205	0	60	0.0	-77.16	433.48	11.45	-65.71
CC(C)CC(C[NH+](C)C)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013595206	0	53	0.0	-73.48	382.67	9.23	-64.25
CC(C)CC(C[NH+](C)C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013595207	0	53	0.0	-77.16	371.55	8.31	-68.85
CC(C)CC(C[NH+](C)C)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013595208	0	53	0.0	-73.83	385.56	8.94	-64.89
CC(C)CC(C[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013595209	0	54	0.0	-59.76	391.66	5.97	-53.79
CC(C)CC(C[NH+](C)C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013595210	0	52	0.0	-69.62	379.70	6.65	-62.97
CCC(CC)(CNC(=O)NC(CC(C)C)C[NH+](C)C)C(=O)[O-]	REAL300013595211	0	55	0.0	-62.57	396.18	8.02	-54.55
CC(C)CC(C[NH+](C)C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013595212	0	52	0.0	-66.46	379.12	6.75	-59.71
CC(C)CC(C[NH+](C)C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013595213	0	59	0.0	-75.65	420.17	8.70	-66.95
CC(C)CC(C[NH+](C)C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013595214	0	56	0.0	-61.85	421.03	9.27	-52.58
CC(C)CC(C[NH+](C)C)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013595215	0	56	0.0	-74.15	406.48	9.87	-64.28
CC(C)CC(C[NH+](C)C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013595216	0	52	0.0	-70.18	381.19	6.84	-63.34
CC(C)CC(C[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013595217	0	53	0.0	-65.26	381.79	7.65	-57.61
CC(C)CC(C[NH+](C)C)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013595218	0	53	0.0	-75.10	372.15	8.92	-66.18
CC(C)CC(C[NH+](C)C)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013595219	0	53	0.0	-68.71	392.15	7.83	-60.88
CC(C)CC(C[NH+](C)C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013595220	0	53	0.0	-77.16	371.55	8.31	-68.85
CC(C)CC(C[NH+](C)C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013595221	0	58	0.0	-66.40	423.02	8.44	-57.96
CC(C)CC(C[NH+](C)C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013595222	0	50	0.0	-72.72	383.10	8.09	-64.63
COCC1(C(=O)[O-])CCN(C(=O)NC(CC(C)C)C[NH+](C)C)C1	REAL300013595223	0	54	0.0	-68.49	403.74	6.99	-61.50
CC(C)CC(C[NH+](C)C)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013595224	0	55	0.0	-66.20	402.17	5.68	-60.52
CC(C)CC(C[NH+](C)C)NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013595225	0	60	0.0	-36.19	436.60	10.21	-25.98
CC(C)CC(C[NH+](C)C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013595226	0	50	0.0	-72.06	389.92	8.04	-64.02
CC(C)CC(C[NH+](C)C)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013595227	0	56	0.0	-83.72	399.97	9.70	-74.02
CC(C)CC(C[NH+](C)C)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013595228	0	58	0.0	-76.54	429.32	8.73	-67.81
CC(C)CC(C[NH+](C)C)NC(=O)NCCCCCCC(=O)[O-]	REAL300013595229	0	55	0.0	-72.01	415.09	8.68	-63.33
CC(C)CC(C[NH+](C)C)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013595230	0	53	0.0	-81.66	372.45	8.86	-72.80
COCC1(C(=O)[O-])CCCN(C(=O)NC(CC(C)C)C[NH+](C)C)C1	REAL300013595231	0	57	0.0	-75.07	410.94	8.49	-66.58
COCCN(CCC(=O)[O-])C(=O)NC(CC(C)C)C[NH+](C)C	REAL300013595232	0	53	0.0	-56.33	395.77	7.50	-48.83
CC(C)CC(C[NH+](C)C)NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013595233	0	59	0.0	-73.72	441.02	9.95	-63.77
CC(C)CC(C[NH+](C)C)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013595234	0	56	0.0	-80.18	398.48	9.45	-70.73
CC(C)CC(C[NH+](C)C)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013595235	0	54	0.0	-74.66	399.51	10.84	-63.82
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC(CC(C)C)C[NH+](C)C)CCO1	REAL300013595236	0	61	0.0	-80.70	453.66	8.42	-72.28
CC(C)CC(C[NH+](C)C)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013595237	0	51	0.0	-62.74	376.79	7.19	-55.55
CC(C)CC(C[NH+](C)C)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013595238	0	53	0.0	-57.74	381.20	8.84	-48.90
CC(C)CC(C[NH+](C)C)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013595239	0	57	0.0	-65.68	428.94	10.98	-54.70
CC(C)CC(C[NH+](C)C)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013595240	0	51	0.0	-77.55	374.90	5.84	-71.71
CC(C)CC(C[NH+](C)C)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013595241	0	54	0.0	-73.92	409.74	9.08	-64.84
CC(C)CC(C[NH+](C)C)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013595242	0	57	0.0	-59.95	416.03	8.64	-51.31
COCC1(C(=O)[O-])CCN(C(=O)NC(CC(C)C)C[NH+](C)C)CC1	REAL300013595243	0	57	0.0	-79.24	409.61	8.54	-70.70
CC(C)CC(C[NH+](C)C)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013595244	0	59	0.0	-64.14	412.11	8.65	-55.49
CC(C)CC(C[NH+](C)C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013595245	0	53	0.0	-64.22	388.06	8.04	-56.18
CC(C)CC(C[NH+](C)C)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013595246	0	56	0.0	-74.47	406.05	8.27	-66.20
CC(C)CC(C[NH+](C)C)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013595247	0	53	0.0	-70.17	382.89	9.45	-60.72
CC(C)CC(C[NH+](C)C)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013595248	0	54	0.0	-66.89	399.42	8.87	-58.02
CC(C)CC(C[NH+](C)C)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013595249	0	53	0.0	-68.28	392.59	7.65	-60.63
CC(C)CC(C[NH+](C)C)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013595250	0	53	0.0	-70.09	383.19	7.38	-62.71
CC(C)CC(C[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013595251	0	54	0.0	-60.79	388.54	6.24	-54.55
CC(C)CC(C[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013595252	0	51	0.0	-48.67	375.76	5.30	-43.37
CC(C)CC(C[NH+](C)C)NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013595253	0	62	0.0	-73.79	463.82	10.78	-63.01
CC(C)CC(C[NH+](C)C)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013595254	0	54	0.0	-64.25	393.91	9.08	-55.17
CC(C)CC(C[NH+](C)C)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013595255	0	50	0.0	-65.08	385.57	8.24	-56.84
CC(C)CC(C[NH+](C)C)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013595256	0	51	0.0	-70.23	370.38	7.65	-62.58
COC1CC(C(=O)[O-])CN(C(=O)NC(CC(C)C)C[NH+](C)C)C1	REAL300013595257	0	54	0.0	-83.59	396.55	7.37	-76.22
CC(C)CC(C[NH+](C)C)NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013595258	0	59	0.0	-87.94	436.64	6.57	-81.37
CN1C=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013595270	1	45	0.0	-45.46	357.46	4.83	-40.63
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(Br)S2)CC1	REAL300013595328	1	39	0.0	-35.68	345.04	6.09	-29.59
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(Cl)S2)CC1	REAL300013595396	1	39	0.0	-35.64	340.41	5.98	-29.66
COC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013595464	1	46	0.0	-39.33	368.48	5.61	-33.72
CC(C)NC(=O)NC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013595534	1	57	0.0	-45.84	446.00	5.45	-40.39
CN1N=CC2=C1CCCC2NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013595597	1	49	0.0	-40.22	372.65	5.51	-34.71
CC1=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=NN1C	REAL300013595657	1	48	0.0	-39.12	371.48	5.26	-33.86
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=C(F)C=C2)CC1	REAL300013595721	1	46	0.0	-38.09	369.06	5.92	-32.17
O=C([O-])C1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	REAL300013595760	0	53	0.0	-70.39	378.16	9.07	-61.32
O=C([O-])C1=CC=C(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)C=C1	REAL300013595761	0	53	0.0	-74.91	400.77	8.63	-66.28
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCO1	REAL300013595762	0	51	0.0	-75.45	369.68	7.43	-68.02
O=C([O-])C1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	REAL300013595763	0	56	0.0	-76.86	406.54	8.53	-68.33
O=C([O-])CCCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300013595764	0	52	0.0	-73.84	384.50	7.30	-66.54
O=C([O-])C1=CC(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)=CC=C1	REAL300013595765	0	53	0.0	-74.49	400.77	8.62	-65.87
O=C([O-])CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300013595766	0	46	0.0	-69.43	341.50	5.73	-63.70
O=C([O-])CCCCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300013595767	0	55	0.0	-72.59	406.00	8.08	-64.51
CC(C)(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300013595768	0	52	0.0	-73.45	376.94	7.18	-66.27
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595769	0	53	0.0	-72.14	382.60	8.69	-63.45
CC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595770	0	56	0.0	-52.25	393.10	9.82	-42.43
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	REAL300013595771	0	56	0.0	-69.67	390.90	9.31	-60.36
O=C([O-])CCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300013595772	0	49	0.0	-67.20	363.00	6.52	-60.68
CC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1C(=O)[O-]	REAL300013595773	0	56	0.0	-76.88	396.45	9.55	-67.33
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCOCC1	REAL300013595774	0	57	0.0	-60.00	402.37	6.67	-53.33
CC(C)(CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300013595775	0	55	0.0	-68.29	395.71	7.40	-60.89
CCC(CC)(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300013595776	0	58	0.0	-57.46	408.59	8.20	-49.26
CC(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300013595777	0	49	0.0	-70.96	360.05	6.48	-64.48
CC(C)C(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300013595778	0	55	0.0	-60.91	398.79	7.67	-53.24
CC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013595779	0	62	0.0	-74.38	435.24	9.06	-65.32
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595780	0	53	0.0	-63.91	384.42	7.77	-56.14
O=C([O-])CCC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	REAL300013595781	0	59	0.0	-71.75	417.47	10.45	-61.30
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1([NH+]3CCSCC3)CCCC1)C2	REAL300013595782	0	55	0.0	-68.83	394.90	7.16	-61.67
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCC1	REAL300013595783	0	56	0.0	-59.38	400.74	8.56	-50.82
CC1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC1C(=O)[O-]	REAL300013595784	0	56	0.0	-70.23	396.44	9.56	-60.67
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC1	REAL300013595785	0	53	0.0	-57.07	382.76	7.86	-49.21
O=C([O-])CC(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1	REAL300013595786	0	56	0.0	-69.32	411.71	8.70	-60.62
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	REAL300013595787	0	56	0.0	-69.67	390.90	9.31	-60.36
CC(C)C[C@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)CC(=O)[O-]	REAL300013595788	0	61	0.0	-65.27	432.67	9.13	-56.14
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300013595789	0	53	0.0	-65.26	394.37	8.73	-56.53
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595790	0	57	0.0	-77.92	413.16	7.70	-70.22
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595791	0	50	0.0	-67.18	368.08	7.08	-60.10
O=C([O-])CN1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	REAL300013595792	0	58	0.0	-70.89	416.58	6.19	-64.70
O=C([O-])[C@@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595793	0	53	0.0	-74.92	376.95	8.98	-65.94
O=C([O-])[C@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595794	0	53	0.0	-75.52	378.14	9.04	-66.48
O=C([O-])C1CC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595795	0	50	0.0	-68.15	368.47	7.09	-61.06
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595796	0	50	0.0	-70.01	368.37	7.13	-62.88
O=C([O-])C1=CC(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)=CC=C1	REAL300013595797	0	53	0.0	-74.49	400.77	8.62	-65.87
CCC(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300013595798	0	52	0.0	-58.04	376.23	7.35	-50.69
O=C([O-])CCC1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300013595799	0	59	0.0	-76.90	410.95	10.38	-66.52
O=C([O-])CCCCCCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300013595800	0	61	0.0	-75.06	448.99	9.65	-65.41
O=C([O-])CCCCCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300013595801	0	58	0.0	-76.10	427.50	8.87	-67.23
CN(CCCC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300013595802	0	52	0.0	-71.41	380.62	8.91	-62.50
CC1(C(=O)[O-])CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595803	0	56	0.0	-76.49	392.70	9.73	-66.76
COCC1(C(=O)[O-])CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595804	0	60	0.0	-80.73	424.74	8.91	-71.82
COCCN(CCC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300013595805	0	56	0.0	-51.20	412.31	8.26	-42.94
O=C([O-])CCC1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595806	0	59	0.0	-76.27	417.80	10.44	-65.83
O=C([O-])C(=O)N1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	REAL300013595807	0	54	0.0	-69.65	389.88	7.74	-61.91
CC1CCC(C(=O)[O-])CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300013595808	0	56	0.0	-75.76	393.35	9.57	-66.19
O=C([O-])C1(O)CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595809	0	54	0.0	-54.80	387.07	6.56	-48.24
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	REAL300013595810	0	60	0.0	-72.12	421.08	9.17	-62.95
O=C([O-])C12CC(NC(=O)NCC3([NH+]4CCSCC4)CCCC3)(C1)C2	REAL300013595811	0	51	0.0	-76.21	378.21	7.32	-68.89
O=C([O-])CC1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCCC1	REAL300013595812	0	62	0.0	-64.35	423.39	9.28	-55.07
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	REAL300013595813	0	56	0.0	-62.84	398.97	8.74	-54.10
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	REAL300013595814	0	59	0.0	-74.43	423.17	9.05	-65.38
O=C([O-])CC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	REAL300013595815	0	56	0.0	-63.38	395.16	9.68	-53.70
O=C([O-])COC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	REAL300013595816	0	57	0.0	-73.65	411.76	9.10	-64.55
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595817	0	56	0.0	-69.91	403.41	8.32	-61.59
O=C([O-])C1CCCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595818	0	56	0.0	-68.17	402.86	8.30	-59.87
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCOC1	REAL300013595819	0	57	0.0	-57.51	408.48	7.09	-50.42
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCOC1	REAL300013595820	0	54	0.0	-56.46	390.15	5.87	-50.59
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1([NH+]3CCSCC3)CCCC1)C2	REAL300013595821	0	51	0.0	-67.41	379.88	7.81	-59.60
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1	REAL300013595822	0	50	0.0	-55.03	367.93	7.45	-47.58
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC12CCC2	REAL300013595823	0	57	0.0	-60.56	405.22	9.78	-50.78
CC1(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCO1	REAL300013595824	0	54	0.0	-76.20	385.40	8.26	-67.94
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595825	0	47	0.0	-61.42	348.53	7.29	-54.13
COC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595826	0	57	0.0	-74.78	410.28	8.02	-66.76
O=C([O-])C1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013595827	0	50	0.0	-71.42	363.80	8.08	-63.34
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1([NH+]3CCSCC3)CCCC1)C2	REAL300013595828	0	51	0.0	-76.02	380.24	8.11	-67.91
CC(CCC(=O)[O-])NC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300013595829	0	52	0.0	-64.21	382.76	7.54	-56.67
CC(C)(C)NS(=O)(=O)CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013595875	1	52	0.0	-45.81	399.31	1.37	-44.44
COC(=O)C1=C(C)OC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013595948	1	48	0.0	-38.93	389.12	5.86	-33.07
CC(C)C(=O)NC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013596023	1	55	0.0	-45.94	429.45	6.61	-39.33
CC(CN1C=CN=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013596074	1	45	0.0	-41.96	355.05	6.78	-35.18
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=CC=C3)CCOCC2)CC1	REAL300013596131	1	56	0.0	-36.69	410.56	7.33	-29.36
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=C(F)C=C3)CCCC2)CC1	REAL300013596204	1	55	0.0	-36.07	412.61	9.93	-26.14
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=C(F)C=C3)CC2)CC1	REAL300013596275	1	49	0.0	-36.16	388.49	8.48	-27.68
CN(C)C(=O)CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013596324	1	45	0.0	-44.81	350.23	3.47	-41.34
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2CCCCC2)CC1	REAL300013596412	1	51	0.0	-39.74	375.43	7.21	-32.53
NS(=O)(=O)C1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013596471	1	47	0.0	-43.57	387.37	1.21	-42.36
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3CCSCC3)C=C2)CC1	REAL300013596607	1	55	0.0	-40.78	426.85	7.39	-33.39
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC(Br)=CS2)CC1	REAL300013596684	1	39	0.0	-35.50	344.84	5.99	-29.51
COC(=O)C1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013596756	1	51	0.0	-46.15	409.07	7.68	-38.47
CC(C)C(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013596861	1	54	0.0	-39.40	408.07	8.65	-30.75
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C2OCCOC2=C1	REAL300013596964	1	51	0.0	-39.36	394.77	6.23	-33.13
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300013597038	1	48	0.0	-39.15	385.37	8.09	-31.06
CCOC1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1OCC	REAL300013597104	1	59	0.0	-39.88	453.09	8.16	-31.72
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCN(C3=CC=CC(F)=C3)C2)CC1	REAL300013597219	1	54	0.0	-41.35	410.24	6.93	-34.42
CC1=NC=C2C(=N1)CCCC2NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013597290	1	50	0.0	-39.04	378.30	5.66	-33.38
C[NH+](C)CCC(NC(=O)N1CCC(C(=O)[O-])CC1)C(C)(C)C	REAL300013597334	0	53	0.0	-71.06	376.41	8.58	-62.48
C[NH+](C)CCC(NC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C(C)(C)C	REAL300013597335	0	53	0.0	-79.05	400.81	8.19	-70.86
C[NH+](C)CCC(NC(=O)N1CCOC(C(=O)[O-])C1)C(C)(C)C	REAL300013597336	0	51	0.0	-83.13	370.30	6.95	-76.18
C[NH+](C)CCC(NC(=O)NC1CCC(C(=O)[O-])CC1)C(C)(C)C	REAL300013597337	0	56	0.0	-72.48	399.02	8.31	-64.17
C[NH+](C)CCC(NC(=O)NCCCCC(=O)[O-])C(C)(C)C	REAL300013597338	0	52	0.0	-79.38	384.55	6.86	-72.52
C[NH+](C)CCC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(C)(C)C	REAL300013597339	0	53	0.0	-75.33	400.81	8.18	-67.15
C[NH+](C)CCC(NC(=O)NCCCCCC(=O)[O-])C(C)(C)C	REAL300013597340	0	55	0.0	-77.36	406.05	7.65	-69.71
C[NH+](C)CCC(NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C(C)(C)C	REAL300013597341	0	63	0.0	-85.04	453.32	11.94	-73.10
C[NH+](C)CCC(NC(=O)NCC(C)(C)C(=O)[O-])C(C)(C)C	REAL300013597342	0	52	0.0	-80.25	376.40	6.75	-73.50
C[NH+](C)CCC(NC(=O)N1CCC(C)(C(=O)[O-])C1)C(C)(C)C	REAL300013597343	0	53	0.0	-80.82	383.90	8.15	-72.67
CC1CC(C(=O)[O-])CN(C(=O)NC(CC[NH+](C)C)C(C)(C)C)C1	REAL300013597344	0	56	0.0	-83.07	397.54	9.16	-73.91
C[NH+](C)CCC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)C(C)(C)C	REAL300013597345	0	56	0.0	-72.24	390.62	8.89	-63.35
CC1CCN(C(=O)NC(CC[NH+](C)C)C(C)(C)C)CC1C(=O)[O-]	REAL300013597346	0	56	0.0	-58.38	392.61	9.03	-49.35
C[NH+](C)CCC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)(C)C	REAL300013597347	0	57	0.0	-70.92	403.13	6.24	-64.68
C[NH+](C)CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C(C)(C)C	REAL300013597348	0	55	0.0	-73.96	395.75	6.95	-67.01
CCC(CC)(CNC(=O)NC(CC[NH+](C)C)C(C)(C)C)C(=O)[O-]	REAL300013597349	0	58	0.0	-60.20	402.99	7.85	-52.35
CC(C)C(CNC(=O)NC(CC[NH+](C)C)C(C)(C)C)C(=O)[O-]	REAL300013597350	0	55	0.0	-71.66	398.83	7.25	-64.41
CC(NC(=O)NC(CC[NH+](C)C)C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013597351	0	62	0.0	-84.81	439.89	9.17	-75.64
C[NH+](C)CCC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)(C)C	REAL300013597352	0	59	0.0	-62.24	427.78	9.52	-52.72
C[NH+](C)CCC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(C)(C)C	REAL300013597353	0	53	0.0	-69.90	384.48	7.32	-62.58
C[NH+](C)CCC(NC(=O)N1CCC(CCC(=O)[O-])CC1)C(C)(C)C	REAL300013597354	0	59	0.0	-76.41	417.21	10.06	-66.35
C[NH+](C)CCC(NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C(C)(C)C	REAL300013597355	0	55	0.0	-83.95	394.94	6.74	-77.21
C[NH+](C)CCC(NC(=O)NCC1(C(=O)[O-])CCCC1)C(C)(C)C	REAL300013597356	0	56	0.0	-70.65	401.51	8.13	-62.52
CC1CN(C(=O)NC(CC[NH+](C)C)C(C)(C)C)CCC1C(=O)[O-]	REAL300013597357	0	56	0.0	-71.36	389.80	9.31	-62.05
C[NH+](C)CCC(NC(=O)NCC1(C(=O)[O-])CCC1)C(C)(C)C	REAL300013597358	0	53	0.0	-67.56	384.43	7.29	-60.27
C[NH+](C)CCC(NC(=O)NCC(CC(=O)[O-])C1CC1)C(C)(C)C	REAL300013597359	0	56	0.0	-81.67	408.55	8.08	-73.59
C[NH+](C)CCC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)C(C)(C)C	REAL300013597360	0	56	0.0	-72.24	390.62	8.89	-63.35
CC(C)C[C@H](CNC(=O)NC(CC[NH+](C)C)C(C)(C)C)CC(=O)[O-]	REAL300013597361	0	61	0.0	-71.32	434.97	8.70	-62.62
C[NH+](C)CCC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C(C)(C)C	REAL300013597362	0	53	0.0	-66.69	394.43	8.29	-58.40
COCC1(C(=O)[O-])CCN(C(=O)NC(CC[NH+](C)C)C(C)(C)C)C1	REAL300013597363	0	57	0.0	-75.66	414.70	7.24	-68.42
C[NH+](C)CCC(NC(=O)NC1CCN(CC(=O)[O-])CC1)C(C)(C)C	REAL300013597364	0	58	0.0	-76.41	416.55	5.71	-70.70
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC(CC[NH+](C)C)C(C)(C)C)C2)C=N1	REAL300013597365	0	63	0.0	-87.22	460.62	9.80	-77.42
C[NH+](C)CCC(NC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(C)(C)C	REAL300013597366	0	53	0.0	-83.04	377.43	8.49	-74.55
C[NH+](C)CCC(NC(=O)N1CCC[C@H](C(=O)[O-])C1)C(C)(C)C	REAL300013597367	0	53	0.0	-83.44	378.65	8.54	-74.90
C[NH+](C)CCC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(C)(C)C	REAL300013597368	0	53	0.0	-75.33	400.81	8.18	-67.15
COC(=O)C1CC2(C1)CN(C(=O)NC(CC[NH+](C)C)C(C)(C)C)CC2C(=O)[O-]	REAL300013597369	0	63	0.0	-71.07	461.35	10.06	-61.01
CCC(CNC(=O)NC(CC[NH+](C)C)C(C)(C)C)C(=O)[O-]	REAL300013597370	0	52	0.0	-62.26	377.13	6.97	-55.29
C[NH+](C)CCC(NC(=O)N1CCCCC1CCC(=O)[O-])C(C)(C)C	REAL300013597371	0	59	0.0	-87.11	411.12	10.00	-77.11
C[NH+](C)CCC(NC(=O)NCCCCCCCC(=O)[O-])C(C)(C)C	REAL300013597372	0	61	0.0	-79.59	449.04	9.21	-70.38
C[NH+](C)CCC(NC(=O)NCCCCCCC(=O)[O-])C(C)(C)C	REAL300013597373	0	58	0.0	-80.87	427.54	8.43	-72.44
CN(CCCC(=O)[O-])C(=O)NC(CC[NH+](C)C)C(C)(C)C	REAL300013597374	0	52	0.0	-76.23	380.67	8.46	-67.77
C[NH+](C)CCC(NC(=O)N1CCCC(C)(C(=O)[O-])C1)C(C)(C)C	REAL300013597375	0	56	0.0	-60.46	392.83	9.26	-51.20
COCC1(C(=O)[O-])CCCN(C(=O)NC(CC[NH+](C)C)C(C)(C)C)C1	REAL300013597376	0	60	0.0	-88.58	424.32	9.04	-79.54
COCCN(CCC(=O)[O-])C(=O)NC(CC[NH+](C)C)C(C)(C)C	REAL300013597377	0	56	0.0	-56.63	412.36	7.82	-48.81
C[NH+](C)CCC(NC(=O)N1CCCC(CCC(=O)[O-])C1)C(C)(C)C	REAL300013597378	0	59	0.0	-83.18	417.53	10.04	-73.14
C[NH+](C)CCC(NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C(C)(C)C	REAL300013597379	0	57	0.0	-79.22	410.55	11.16	-68.06
C[NH+](C)CCC(NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(C)(C)C	REAL300013597380	0	54	0.0	-70.64	390.55	7.26	-63.38
CC1CCC(C(=O)[O-])CN1C(=O)NC(CC[NH+](C)C)C(C)(C)C	REAL300013597381	0	56	0.0	-60.79	392.44	9.21	-51.58
C[NH+](C)CCC(NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C(C)(C)C	REAL300013597382	0	60	0.0	-71.25	438.56	11.11	-60.14
C[NH+](C)CCC(NC(=O)N1CCCC(O)(C(=O)[O-])C1)C(C)(C)C	REAL300013597383	0	54	0.0	-81.52	387.55	6.07	-75.45
C[NH+](C)CCC(NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C(C)(C)C	REAL300013597384	0	57	0.0	-75.18	421.19	9.32	-65.86
C[NH+](C)CCC(NC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C(C)(C)C	REAL300013597385	0	60	0.0	-97.54	425.83	8.29	-89.25
COCC1(C(=O)[O-])CCN(C(=O)NC(CC[NH+](C)C)C(C)(C)C)CC1	REAL300013597386	0	60	0.0	-73.76	420.80	8.75	-65.01
C[NH+](C)CCC(NC(=O)NC12CC(C(=O)[O-])(C1)C2)C(C)(C)C	REAL300013597387	0	51	0.0	-82.40	378.25	6.88	-75.52
C[NH+](C)CCC(NC(=O)NCC1(CC(=O)[O-])CCCCC1)C(C)(C)C	REAL300013597388	0	62	0.0	-67.87	424.16	8.87	-59.00
C[NH+](C)CCC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C(C)(C)C	REAL300013597389	0	56	0.0	-66.49	397.69	8.25	-58.24
C[NH+](C)CCC(NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C(C)(C)C	REAL300013597390	0	59	0.0	-78.32	421.88	8.56	-69.76
C[NH+](C)CCC(NC(=O)N1CCC(CC(=O)[O-])CC1)C(C)(C)C	REAL300013597391	0	56	0.0	-78.88	394.90	9.28	-69.60
C[NH+](C)CCC(NC(=O)N1CCC(OCC(=O)[O-])CC1)C(C)(C)C	REAL300013597392	0	57	0.0	-75.21	411.44	8.66	-66.55
C[NH+](C)CCC(NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C(C)(C)C	REAL300013597393	0	56	0.0	-73.20	402.88	7.85	-65.35
C[NH+](C)CCC(NC(=O)NC1CCCC(C(=O)[O-])C1)C(C)(C)C	REAL300013597394	0	56	0.0	-76.48	402.91	7.84	-68.64
C[NH+](C)CCC(NC(=O)NCC1(C(=O)[O-])CCCOC1)C(C)(C)C	REAL300013597395	0	57	0.0	-65.87	408.26	6.70	-59.17
C[NH+](C)CCC(NC(=O)NCC1(C(=O)[O-])CCOC1)C(C)(C)C	REAL300013597396	0	54	0.0	-62.29	390.19	5.41	-56.88
C[NH+](C)CCC(NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C(C)(C)C	REAL300013597397	0	65	0.0	-78.95	476.08	10.57	-68.38
C[NH+](C)CCC(NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C(C)(C)C	REAL300013597398	0	51	0.0	-75.62	379.99	7.36	-68.26
C[NH+](C)CCC(NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C(C)(C)C	REAL300013597399	0	57	0.0	-67.16	406.52	9.40	-57.76
C[NH+](C)CCC(NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C(C)(C)C	REAL300013597400	0	53	0.0	-75.10	397.54	8.40	-66.70
C[NH+](C)CCC(NC(=O)N1CCOC(C)(C(=O)[O-])C1)C(C)(C)C	REAL300013597401	0	54	0.0	-64.12	385.06	7.84	-56.28
COC1CC(C(=O)[O-])CN(C(=O)NC(CC[NH+](C)C)C(C)(C)C)C1	REAL300013597402	0	57	0.0	-64.18	408.29	7.68	-56.50
C[NH+](C)CCC(NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C(C)(C)C	REAL300013597403	0	51	0.0	-82.06	379.28	7.38	-74.68
CC(CCC(=O)[O-])NC(=O)NC(CC[NH+](C)C)C(C)(C)C	REAL300013597404	0	52	0.0	-68.54	382.80	7.08	-61.46
CCC(CC1=CC=C(Cl)C=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013597464	1	51	0.0	-41.91	403.09	8.91	-33.00
CC1=NN=C2CCC(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)CN12	REAL300013597537	1	51	0.0	-46.93	389.82	7.13	-39.80
CC(C)(C)S(=O)CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013597608	1	49	0.0	-45.82	383.38	3.80	-42.02
O=C([O-])C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C2=CC=CS2)CC1	REAL300013597700	1	52	0.0	-37.12	422.64	10.24	-26.88
CC(C)C1=CC=C(CCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013597767	1	57	0.0	-36.30	435.97	9.72	-26.58
CC1=NNC(=O)C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C	REAL300013597898	1	47	0.0	-44.96	368.01	2.82	-42.14
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C(Br)C=C2)CC1	REAL300013597970	1	45	0.0	-42.30	375.55	7.64	-34.66
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CC3=CC=CC=C3C2)CC1	REAL300013598037	1	49	0.0	-37.28	377.47	8.09	-29.19
COC1=CC=CC=C1N1CCCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013598108	1	58	0.0	-43.48	437.36	6.49	-36.99
CC1=CC(F)=CC=C1N1CCCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013598174	1	57	0.0	-37.10	434.46	8.34	-28.76
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013598240	1	54	0.0	-35.82	402.80	8.86	-26.96
CSC1CCCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013598312	1	49	0.0	-39.65	376.99	7.00	-32.65
CN1C=C(N2CCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=O)C=N1	REAL300013598455	1	50	0.0	-47.34	394.64	4.54	-42.80
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013598535	1	56	0.0	-79.19	416.67	8.64	-70.55
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013598536	1	56	0.0	-81.99	440.62	8.30	-73.69
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013598537	1	54	0.0	-65.08	409.63	7.12	-57.96
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013598538	1	59	0.0	-81.55	443.15	7.95	-73.60
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCCCCC(=O)[O-]	REAL300013598539	1	55	0.0	-78.63	424.22	6.95	-71.68
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013598540	1	56	0.0	-77.34	440.49	8.27	-69.07
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCCC(=O)[O-]	REAL300013598541	1	49	0.0	-74.63	381.23	5.38	-69.25
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCCCCCC(=O)[O-]	REAL300013598542	1	58	0.0	-77.52	445.72	7.73	-69.79
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013598543	1	55	0.0	-78.34	416.66	6.83	-71.51
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013598544	1	56	0.0	-81.82	423.61	8.21	-73.61
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013598545	1	59	0.0	-84.69	438.39	9.23	-75.46
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013598546	1	59	0.0	-78.06	429.94	8.90	-69.16
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCCCC(=O)[O-]	REAL300013598547	1	52	0.0	-72.74	402.72	6.17	-66.57
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013598548	1	59	0.0	-80.04	431.00	8.70	-71.34
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013598549	1	58	0.0	-74.04	435.43	7.04	-67.00
CCC(CC)(CNC(=O)NC(C)C[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013598550	1	61	0.0	-64.53	443.61	8.02	-56.51
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCC(C)C(=O)[O-]	REAL300013598551	1	52	0.0	-75.50	398.90	6.12	-69.38
CC(C)C(CNC(=O)NC(C)C[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013598552	1	58	0.0	-64.09	438.51	7.32	-56.77
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013598553	1	56	0.0	-73.19	424.14	7.45	-65.74
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013598554	1	59	0.0	-68.13	441.31	8.25	-59.88
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013598555	1	59	0.0	-73.66	428.18	8.98	-64.68
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013598556	1	56	0.0	-65.67	424.24	7.40	-58.27
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013598557	1	59	0.0	-78.89	447.98	8.13	-70.76
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013598558	1	59	0.0	-78.06	429.94	8.90	-69.16
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013598559	1	56	0.0	-74.11	434.24	8.40	-65.71
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013598560	1	53	0.0	-76.16	408.29	6.75	-69.41
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013598561	1	56	0.0	-81.01	416.72	8.60	-72.41
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013598562	1	56	0.0	-62.83	417.92	8.66	-54.17
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NC1CC(C(=O)[O-])C1	REAL300013598563	1	53	0.0	-76.12	408.32	6.75	-69.37
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013598564	1	53	0.0	-75.34	407.33	6.69	-68.65
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013598565	1	56	0.0	-77.34	440.49	8.27	-69.07
CCC(CNC(=O)NC(C)C[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013598566	1	55	0.0	-61.36	416.81	7.06	-54.30
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013598567	1	61	0.0	-80.75	467.22	8.51	-72.24
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N(C)CCCC(=O)[O-]	REAL300013598568	1	55	0.0	-79.06	420.35	8.55	-70.51
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013598569	1	59	0.0	-85.29	432.16	9.42	-75.87
COCCN(CCC(=O)[O-])C(=O)NC(C)C[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300013598570	1	59	0.0	-58.35	452.04	7.90	-50.45
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013598571	1	59	0.0	-60.86	432.45	9.22	-51.64
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013598572	1	57	0.0	-81.90	426.91	6.22	-75.68
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013598573	1	54	0.0	-81.20	417.98	6.96	-74.24
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013598574	1	59	0.0	-71.11	438.72	8.39	-62.72
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013598575	1	59	0.0	-72.28	435.21	9.35	-62.93
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013598576	1	59	0.0	-77.51	442.69	7.96	-69.55
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013598577	1	59	0.0	-73.08	438.73	8.37	-64.71
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013598578	1	57	0.0	-65.14	430.00	5.53	-59.61
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013598579	1	54	0.0	-72.63	419.38	7.45	-65.18
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCC1(C(=O)[O-])CC1	REAL300013598580	1	53	0.0	-62.71	408.15	7.02	-55.69
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013598581	1	57	0.0	-86.02	424.94	7.84	-78.18
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CC(C(=O)[O-])C1	REAL300013598582	1	50	0.0	-70.29	388.88	7.04	-63.25
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N1CCC(C(=O)[O-])C1	REAL300013598583	1	53	0.0	-79.80	403.98	7.75	-72.05
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013598584	1	54	0.0	-81.13	418.27	7.37	-73.76
CC(CCC(=O)[O-])NC(=O)NC(C)C[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300013598585	1	55	0.0	-69.84	422.48	7.17	-62.67
CN1C=C(N2CCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2)C=N1	REAL300013598617	1	51	0.0	-43.41	391.13	3.88	-39.53
O=C([O-])C[NH+]1CCC(NC(=O)NC2CSC3=CC=CC=C32)CC1	REAL300013598688	1	44	0.0	-35.94	356.42	7.22	-28.72
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC(Cl)=C1Cl	REAL300013598761	1	45	0.0	-38.90	378.65	8.01	-30.89
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(N3C=NC=N3)=C2)CC1	REAL300013598834	1	48	0.0	-42.71	386.45	8.78	-33.93
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2=CC=C(O)C=C2)CC1	REAL300013598960	1	49	0.0	-38.52	386.77	4.94	-33.58
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300013599031	1	51	0.0	-41.38	389.24	8.19	-33.19
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2CCCCCC2)CC1	REAL300013599103	1	55	0.0	-40.14	401.87	6.41	-33.73
CC1=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300013599177	1	48	0.0	-37.26	387.44	7.44	-29.82
CC(C)(C)C1OCCCC1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013599252	1	58	0.0	-36.58	405.25	6.58	-30.00
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(=O)N1CCCCC1C	REAL300013599375	1	55	0.0	-39.48	400.63	6.05	-33.43
CCC1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013599445	1	51	0.0	-41.46	397.15	8.45	-33.01
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3CCOC3=O)C=C2)CC1	REAL300013599518	1	51	0.0	-45.92	401.83	6.34	-39.58
CC(C)OCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013599578	1	51	0.0	-37.18	391.64	5.55	-31.63
O=C([O-])C[NH+]1CCC(NC(=O)NC2COC3=CC=CC(F)=C32)CC1	REAL300013599642	1	44	0.0	-36.68	353.32	5.55	-31.13
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCCS2)CC1	REAL300013599702	1	46	0.0	-39.65	356.21	6.49	-33.16
O=C([O-])CCNC(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300013599738	1	45	0.0	-81.11	387.46	7.80	-73.31
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300013599739	1	48	0.0	-79.20	408.96	8.60	-70.60
CC(CNC(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013599740	1	48	0.0	-82.12	405.13	8.54	-73.58
O=C([O-])C1CN(C(=O)NC2CC[NH+](CC3=CC(Cl)=CC(Cl)=C3)CC2)C1	REAL300013599741	1	46	0.0	-76.24	394.68	9.39	-66.85
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCCS2(=O)=O)CC1	REAL300013599773	1	48	0.0	-47.44	372.03	3.11	-44.33
CSCCCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013599903	1	51	0.0	-37.32	403.57	7.57	-29.75
COCCC(CC1=CC=CO1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013599973	1	52	0.0	-42.05	401.82	5.44	-36.61
CSC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(C)(C)C	REAL300013600094	1	51	0.0	-35.73	380.41	7.29	-28.44
CC(C)(C)C1=NC=CC(CCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013600167	1	58	0.0	-43.44	447.59	7.69	-35.75
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C(F)C(F)=C2F)CC1	REAL300013600239	1	45	0.0	-47.83	372.80	7.21	-40.62
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCN(CC3=CC=CC=N3)C2=O)CC1	REAL300013600313	1	55	0.0	-42.85	424.98	6.20	-36.65
COC1=CC=C([N+](=O)[O-])C=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013600380	1	48	0.0	-40.70	389.77	6.27	-34.43
O=C([O-])C1CCN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CC1	REAL300013600423	0	59	0.0	-74.57	434.66	11.63	-62.94
O=C([O-])C1CCN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CC1	REAL300013600423	1	59	0.0	-78.43	432.24	11.54	-66.89
O=C([O-])C1CN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CCO1	REAL300013600424	0	57	0.0	-64.07	421.09	10.45	-53.62
O=C([O-])C1CN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CCO1	REAL300013600424	1	57	0.0	-60.36	419.76	10.53	-49.83
O=C([O-])C1CCC(NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CC1	REAL300013600425	0	62	0.0	-82.98	459.95	10.87	-72.11
O=C([O-])C1CCC(NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CC1	REAL300013600425	1	62	0.0	-82.88	454.78	11.34	-71.54
O=C([O-])CCCCNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300013600426	0	58	0.0	-80.18	434.39	10.37	-69.81
O=C([O-])CCCCNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300013600426	1	58	0.0	-80.46	434.00	10.34	-70.12
O=C([O-])CCNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300013600427	0	52	0.0	-75.84	396.90	8.29	-67.55
O=C([O-])CCNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300013600427	1	52	0.0	-77.05	391.01	8.77	-68.28
O=C([O-])CCCCCNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300013600428	0	61	0.0	-77.60	461.39	10.64	-66.96
O=C([O-])CCCCCNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300013600428	1	61	0.0	-78.59	455.50	11.12	-67.47
CC(C)(CNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013600429	0	58	0.0	-80.69	426.82	10.25	-70.44
CC(C)(CNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013600429	1	58	0.0	-81.07	426.45	10.21	-70.86
CC1(C(=O)[O-])CCN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600430	0	59	0.0	-85.80	437.62	11.19	-74.61
CC1(C(=O)[O-])CCN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600430	1	59	0.0	-79.76	432.85	11.70	-68.06
CC1CC(C(=O)[O-])CN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600431	0	62	0.0	-60.44	449.72	12.57	-47.87
CC1CC(C(=O)[O-])CN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600431	1	62	0.0	-82.01	453.63	12.11	-69.90
CC1(C(=O)[O-])CCN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CC1	REAL300013600432	0	62	0.0	-80.95	445.87	11.82	-69.13
CC1(C(=O)[O-])CCN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CC1	REAL300013600432	1	62	0.0	-75.13	441.65	12.31	-62.82
O=C([O-])CCCNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300013600433	0	55	0.0	-72.91	418.40	9.08	-63.83
O=C([O-])CCCNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300013600433	1	55	0.0	-73.55	412.50	9.56	-63.99
CC1CCN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CC1C(=O)[O-]	REAL300013600434	0	62	0.0	-82.87	449.39	11.99	-70.88
CC1CCN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CC1C(=O)[O-]	REAL300013600434	1	62	0.0	-59.26	446.09	12.56	-46.70
CC(C)(CCNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013600435	0	61	0.0	-73.73	451.68	9.96	-63.77
CC(C)(CCNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013600435	1	61	0.0	-74.31	445.79	10.45	-63.86
CC(CNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013600436	0	55	0.0	-77.90	415.44	9.04	-68.86
CC(CNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013600436	1	55	0.0	-79.20	409.84	9.52	-69.68
CC(C)C(CNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013600437	0	61	0.0	-61.46	448.92	10.34	-51.12
CC(C)C(CNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013600437	1	61	0.0	-68.98	442.22	10.84	-58.14
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600438	0	59	0.0	-73.08	434.26	10.86	-62.22
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600438	1	59	0.0	-70.94	435.88	10.77	-60.17
O=C([O-])C1(CNC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CCCC1	REAL300013600439	0	62	0.0	-68.65	447.96	11.68	-56.97
O=C([O-])C1(CNC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CCCC1	REAL300013600439	1	62	0.0	-70.17	458.03	11.13	-59.04
CC1CN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CCC1C(=O)[O-]	REAL300013600440	0	62	0.0	-79.51	442.08	12.74	-66.77
CC1CN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CCC1C(=O)[O-]	REAL300013600440	1	62	0.0	-76.32	444.56	12.29	-64.03
O=C([O-])C1(CNC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CCC1	REAL300013600441	0	59	0.0	-59.80	433.07	10.95	-48.85
O=C([O-])C1(CNC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CCC1	REAL300013600441	1	59	0.0	-67.31	439.78	10.44	-56.87
O=C([O-])CC(CNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C1CC1	REAL300013600442	0	62	0.0	-75.80	456.08	11.73	-64.07
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CC1(C(=O)[O-])CCN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CC1	REAL300013600443	0	62	0.0	-80.95	445.87	11.82	-69.13
CC1(C(=O)[O-])CCN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CC1	REAL300013600443	1	62	0.0	-75.13	441.65	12.31	-62.82
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600444	0	56	0.0	-72.92	425.08	9.65	-63.27
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600444	1	56	0.0	-72.54	417.60	10.11	-62.43
O=C([O-])[C@@H]1CCCN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600445	0	59	0.0	-59.18	433.94	11.53	-47.65
O=C([O-])[C@@H]1CCCN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600445	1	59	0.0	-82.25	427.46	12.09	-70.16
O=C([O-])[C@H]1CCCN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600446	0	59	0.0	-82.83	433.89	11.57	-71.26
O=C([O-])[C@H]1CCCN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600446	1	59	0.0	-59.20	427.37	12.06	-47.14
O=C([O-])C1CC(NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600447	0	56	0.0	-75.61	417.52	10.18	-65.43
O=C([O-])C1CC(NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600447	1	56	0.0	-76.34	419.43	10.13	-66.21
O=C([O-])[C@H]1C[C@H](NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600448	0	56	0.0	-76.55	423.39	9.69	-66.86
O=C([O-])[C@H]1C[C@H](NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600448	1	56	0.0	-74.50	423.46	9.71	-64.79
CCC(CNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013600449	0	58	0.0	-63.42	431.89	10.26	-53.16
CCC(CNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013600449	1	58	0.0	-60.51	426.51	10.45	-50.06
CN(CCCC(=O)[O-])C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300013600450	0	58	0.0	-83.90	430.22	11.97	-71.93
CN(CCCC(=O)[O-])C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300013600450	1	58	0.0	-77.63	430.10	11.94	-65.69
CC1(C(=O)[O-])CCCN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600451	0	62	0.0	-85.10	443.83	12.74	-72.36
CC1(C(=O)[O-])CCCN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600451	1	62	0.0	-83.94	442.74	12.80	-71.14
CC1CCC(C(=O)[O-])CN1C(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300013600452	0	62	0.0	-62.52	444.95	12.60	-49.92
CC1CCC(C(=O)[O-])CN1C(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300013600452	1	62	0.0	-61.54	448.04	12.16	-49.38
O=C([O-])C12CC(NC(=O)NC3CCCC4C[N@H+](CC5=CC=CC=C5)CC43)(C1)C2	REAL300013600453	0	57	0.0	-83.29	429.45	10.34	-72.95
O=C([O-])C12CC(NC(=O)NC3CCCC4C[N@@H+](CC5=CC=CC=C5)CC43)(C1)C2	REAL300013600453	1	57	0.0	-83.20	427.79	10.36	-72.84
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O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CC1	REAL300013600454	1	62	0.0	-72.86	454.19	11.26	-61.60
O=C([O-])CC1CCN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CC1	REAL300013600455	0	62	0.0	-69.24	451.66	12.24	-57.00
O=C([O-])CC1CCN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CC1	REAL300013600455	1	62	0.0	-79.60	450.72	12.23	-67.37
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O=C([O-])C1(CNC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CC1	REAL300013600459	1	56	0.0	-64.72	418.16	10.50	-54.22
O=C([O-])C1CN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600460	0	53	0.0	-69.59	400.66	10.32	-59.27
O=C([O-])C1CN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600460	1	53	0.0	-71.02	398.11	10.42	-60.60
O=C([O-])C1CCN(C(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600461	0	56	0.0	-77.29	419.18	10.63	-66.66
O=C([O-])C1CCN(C(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300013600461	1	56	0.0	-78.90	414.28	11.12	-67.78
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CC(CCNC(=O)NC1CCC(C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013600823	0	54	0.0	-76.52	392.76	7.55	-68.97
CC(CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCCCC1	REAL300013600824	0	51	0.0	-74.61	390.13	7.85	-66.76
CC(CCNC(=O)NCCCCCC(=O)[O-])[NH+]1CCCCC1	REAL300013600825	0	53	0.0	-73.04	395.36	7.31	-65.73
CC(CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013600826	0	61	0.0	-69.72	434.84	11.35	-58.37
CC(CCNC(=O)N1CCC(C)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013600827	0	51	0.0	-73.59	373.23	7.81	-65.78
CC(CCNC(=O)N1CC(C)CC(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013600828	0	54	0.0	-72.99	384.09	8.77	-64.22
CC(CCNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013600829	0	54	0.0	-73.20	379.30	8.55	-64.65
CC(CCNC(=O)N1CCC(C)C(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013600830	0	54	0.0	-60.28	385.85	8.76	-51.52
CC(CCNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCCCC1	REAL300013600831	0	55	0.0	-61.57	388.83	5.89	-55.68
CC(CCNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCCCC1	REAL300013600832	0	53	0.0	-69.91	385.07	6.64	-63.27
CCC(CC)(CNC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300013600833	0	56	0.0	-61.30	393.97	7.73	-53.57
CC(C)C(CNC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300013600834	0	53	0.0	-64.54	388.16	6.90	-57.64
CC(CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCCCC1	REAL300013600835	0	60	0.0	-72.09	424.79	8.76	-63.33
CC(CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCCC1	REAL300013600836	0	57	0.0	-65.19	421.24	9.08	-56.11
CC(CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013600837	0	51	0.0	-66.45	373.79	7.02	-59.43
CC(CCNC(=O)N1CCC(CCC(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013600838	0	57	0.0	-69.43	403.12	9.66	-59.77
CC(CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013600839	0	53	0.0	-69.49	381.23	6.39	-63.10
CC(CCNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCCCC1	REAL300013600840	0	54	0.0	-61.49	387.20	7.78	-53.71
CC(CCNC(=O)N1CCC(C(=O)[O-])C(C)C1)[NH+]1CCCCC1	REAL300013600841	0	54	0.0	-67.84	375.77	8.95	-58.89
CC(CCNC(=O)NCC1(C(=O)[O-])CCC1)[NH+]1CCCCC1	REAL300013600842	0	51	0.0	-59.65	370.12	6.94	-52.71
CC(CCNC(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCCCC1	REAL300013600843	0	54	0.0	-68.14	394.43	7.71	-60.43
CC(CCNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013600844	0	54	0.0	-73.20	379.30	8.55	-64.65
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COCC1(C(=O)[O-])CCN(C(=O)NCCC(C)[NH+]2CCCCC2)C1	REAL300013600847	0	55	0.0	-75.58	404.09	6.93	-68.65
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CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCC(C)[NH+]2CCCCC2)CCO1	REAL300013600862	0	62	0.0	-74.91	454.80	8.61	-66.30
CC(CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013600863	0	52	0.0	-66.96	379.44	7.01	-59.95
CC(CCNC(=O)N1CC(C(=O)[O-])CCC1C)[NH+]1CCCCC1	REAL300013600864	0	54	0.0	-57.01	378.24	8.82	-48.19
CC(CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013600865	0	58	0.0	-63.25	426.19	10.79	-52.46
CC(CCNC(=O)N1CCCC(O)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013600866	0	52	0.0	-74.28	376.41	5.80	-68.48
CC(CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)[NH+]1CCCCC1	REAL300013600867	0	55	0.0	-70.58	409.52	9.06	-61.52
CC(CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)[NH+]1CCCCC1	REAL300013600868	0	58	0.0	-78.92	415.17	8.04	-70.88
COCC1(C(=O)[O-])CCN(C(=O)NCCC(C)[NH+]2CCCCC2)CC1	REAL300013600869	0	58	0.0	-73.33	410.40	8.39	-64.94
CC(CCNC(=O)NC12CC(C(=O)[O-])(C1)C2)[NH+]1CCCCC1	REAL300013600870	0	49	0.0	-72.26	364.18	6.51	-65.75
CC(CCNC(=O)NCC1(CC(=O)[O-])CCCCC1)[NH+]1CCCCC1	REAL300013600871	0	60	0.0	-63.23	410.11	8.52	-54.71
CC(CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013600872	0	54	0.0	-64.98	385.09	7.96	-57.02
CC(CCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013600873	0	57	0.0	-74.21	411.21	8.23	-65.98
CC(CCNC(=O)N1CCC(CC(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013600874	0	54	0.0	-63.83	380.81	8.88	-54.95
CC(CCNC(=O)N1CCC(OCC(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013600875	0	55	0.0	-71.61	397.34	8.28	-63.33
CC(CCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013600876	0	54	0.0	-68.38	389.17	7.51	-60.87
CC(CCNC(=O)NC1CCCC(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013600877	0	54	0.0	-65.19	384.71	7.95	-57.24
CC(CCNC(=O)NCC1(C(=O)[O-])CCCOC1)[NH+]1CCCCC1	REAL300013600878	0	55	0.0	-63.25	394.29	6.36	-56.89
CC(CCNC(=O)NCC1(C(=O)[O-])CCOC1)[NH+]1CCCCC1	REAL300013600879	0	52	0.0	-59.17	375.89	5.05	-54.12
CC(CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)[NH+]1CCCCC1	REAL300013600880	0	63	0.0	-72.21	461.77	10.23	-61.98
CC(CCNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCCCC1	REAL300013600881	0	49	0.0	-67.26	365.69	7.02	-60.24
CC(CCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)[NH+]1CCCCC1	REAL300013600882	0	55	0.0	-64.69	395.71	9.05	-55.64
CC(CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[NH+]1CCCCC1	REAL300013600883	0	51	0.0	-66.44	386.87	8.08	-58.36
CC(CCNC(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013600884	0	52	0.0	-77.99	374.70	7.46	-70.53
COC1CC(C(=O)[O-])CN(C(=O)NCCC(C)[NH+]2CCCCC2)C1	REAL300013600885	0	55	0.0	-59.51	394.31	7.31	-52.20
CC(CCNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCCCC1	REAL300013600886	0	49	0.0	-75.74	368.35	7.05	-68.69
O=C([O-])C[NH+]1CCC(NC(=O)NC2COC3=CC(F)=CC(F)=C32)CC1	REAL300013600919	1	44	0.0	-35.96	359.73	5.62	-30.34
CC(C)(C)OC1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013600985	1	52	0.0	-35.78	390.76	5.81	-29.97
O=C([O-])C[NH+]1CCC(NC(=O)NCCSCC2=CC=NC(Cl)=C2)CC1	REAL300013601053	1	48	0.0	-41.78	410.71	7.03	-34.75
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C3CCNC(=O)C3=C2)CC1	REAL300013601121	1	50	0.0	-48.54	392.75	4.73	-43.81
CC[NH+](CC)CCOCCNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013601164	0	51	0.0	-69.85	379.09	6.82	-63.03
CC[NH+](CC)CCOCCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013601165	0	51	0.0	-72.04	399.38	6.16	-65.88
CC[NH+](CC)CCOCCNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013601166	0	49	0.0	-60.18	372.20	5.29	-54.89
CC[NH+](CC)CCOCCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013601167	0	54	0.0	-61.43	397.59	6.28	-55.15
CC[NH+](CC)CCOCCNC(=O)NCCCCC(=O)[O-]	REAL300013601168	0	50	0.0	-72.17	383.12	4.83	-67.34
CC[NH+](CC)CCOCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013601169	0	51	0.0	-74.25	399.39	6.14	-68.11
CC[NH+](CC)CCOCCNC(=O)NCCCCCC(=O)[O-]	REAL300013601170	0	53	0.0	-70.67	404.62	5.62	-65.05
CC[NH+](CC)CCOCCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013601171	0	61	0.0	-68.31	451.65	9.88	-58.43
CC[NH+](CC)CCOCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013601172	0	50	0.0	-72.09	374.97	4.72	-67.37
CC[NH+](CC)CCOCCNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013601173	0	51	0.0	-72.38	386.30	6.39	-65.99
CC[NH+](CC)CCOCCNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013601174	0	54	0.0	-54.85	392.21	7.36	-47.49
CC[NH+](CC)CCOCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013601175	0	54	0.0	-69.04	393.28	7.13	-61.91
CC[NH+](CC)CCOCCNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013601176	0	54	0.0	-55.74	395.09	7.07	-48.67
CC[NH+](CC)CCOCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013601177	0	55	0.0	-63.74	405.53	4.49	-59.25
CC[NH+](CC)CCOCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013601178	0	53	0.0	-67.09	394.32	4.93	-62.16
CC[NH+](CC)CCOCCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013601179	0	56	0.0	-59.54	407.21	5.74	-53.80
CC[NH+](CC)CCOCCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013601180	0	53	0.0	-64.20	397.41	5.20	-59.00
CC[NH+](CC)CCOCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013601181	0	60	0.0	-73.44	438.43	6.92	-66.52
CC[NH+](CC)CCOCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013601182	0	57	0.0	-64.74	434.30	7.66	-57.08
CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013601183	0	51	0.0	-64.65	386.96	5.56	-59.09
CC[NH+](CC)CCOCCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013601184	0	57	0.0	-71.36	419.88	8.28	-63.08
CC[NH+](CC)CCOCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013601185	0	53	0.0	-70.27	397.72	4.97	-65.30
CC[NH+](CC)CCOCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013601186	0	54	0.0	-63.32	400.08	6.10	-57.22
CC[NH+](CC)CCOCCNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013601187	0	54	0.0	-65.97	388.74	7.26	-58.71
CC[NH+](CC)CCOCCNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013601188	0	51	0.0	-60.75	383.00	5.26	-55.49
CC[NH+](CC)CCOCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013601189	0	54	0.0	-70.76	411.46	6.41	-64.35
CC[NH+](CC)CCOCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013601190	0	54	0.0	-69.04	393.28	7.13	-61.91
CC[NH+](CC)CCOCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013601191	0	59	0.0	-66.99	431.66	6.74	-60.25
CC[NH+](CC)CCOCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013601192	0	51	0.0	-70.25	393.00	6.26	-63.99
CC[NH+](CC)CCOCCNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013601193	0	55	0.0	-71.13	417.16	5.52	-65.61
CC[NH+](CC)CCOCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013601194	0	48	0.0	-67.53	367.09	4.61	-62.92
CC[NH+](CC)CCOCCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013601195	0	56	0.0	-69.27	415.11	3.70	-65.57
CC[NH+](CC)CCOCCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013601196	0	61	0.0	-72.53	457.41	8.29	-64.24
CC[NH+](CC)CCOCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013601197	0	51	0.0	-57.29	379.34	6.81	-50.48
CC[NH+](CC)CCOCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013601198	0	51	0.0	-74.94	376.07	6.55	-68.39
CC[NH+](CC)CCOCCNC(=O)NC1CC(C(=O)[O-])C1	REAL300013601199	0	48	0.0	-66.51	370.52	4.90	-61.61
CC[NH+](CC)CCOCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013601200	0	48	0.0	-69.91	370.38	4.95	-64.96
CC[NH+](CC)CCOCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013601201	0	51	0.0	-74.25	399.39	6.14	-68.11
CCC(CNC(=O)NCCOCC[NH+](CC)CC)C(=O)[O-]	REAL300013601202	0	50	0.0	-64.75	384.55	4.97	-59.78
CC[NH+](CC)CCOCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013601203	0	57	0.0	-79.04	409.91	7.95	-71.09
CC[NH+](CC)CCOCCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013601204	0	59	0.0	-73.34	451.43	7.45	-65.89
CC[NH+](CC)CCOCCNC(=O)NCCCCCCC(=O)[O-]	REAL300013601205	0	56	0.0	-73.89	426.12	6.40	-67.49
CC[NH+](CC)CCOCCNC(=O)N(C)CCCC(=O)[O-]	REAL300013601206	0	50	0.0	-70.41	379.25	6.45	-63.96
CC[NH+](CC)CCOCCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013601207	0	54	0.0	-76.21	394.73	7.59	-68.62
CC[NH+](CC)CCOCCNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013601208	0	58	0.0	-79.22	422.43	7.07	-72.15
CC[NH+](CC)CCOCCNC(=O)N(CCOC)CCC(=O)[O-]	REAL300013601209	0	54	0.0	-57.17	414.86	6.05	-51.12
CC[NH+](CC)CCOCCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013601210	0	57	0.0	-75.41	416.39	7.97	-67.44
CC[NH+](CC)CCOCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013601211	0	55	0.0	-72.25	408.91	9.06	-63.19
CC[NH+](CC)CCOCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013601212	0	52	0.0	-67.76	392.19	5.51	-62.25
CC[NH+](CC)CCOCCNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013601213	0	54	0.0	-56.80	396.48	7.45	-49.35
CC[NH+](CC)CCOCCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013601214	0	58	0.0	-63.08	442.89	9.43	-53.65
CC[NH+](CC)CCOCCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013601215	0	52	0.0	-73.38	389.48	4.40	-68.98
CC[NH+](CC)CCOCCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013601216	0	55	0.0	-69.07	423.59	7.58	-61.49
CC[NH+](CC)CCOCCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013601217	0	58	0.0	-86.92	431.51	6.66	-80.26
CC[NH+](CC)CCOCCNC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013601218	0	58	0.0	-69.15	424.69	6.25	-62.90
CC[NH+](CC)CCOCCNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013601219	0	49	0.0	-74.68	380.65	5.13	-69.55
CC[NH+](CC)CCOCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013601220	0	60	0.0	-63.03	426.56	7.13	-55.90
CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013601221	0	54	0.0	-61.42	397.59	6.29	-55.13
CC[NH+](CC)CCOCCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013601222	0	57	0.0	-72.77	425.59	6.84	-65.93
CC[NH+](CC)CCOCCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013601223	0	54	0.0	-72.01	397.57	7.50	-64.51
CC[NH+](CC)CCOCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013601224	0	55	0.0	-73.90	414.15	6.91	-66.99
CC[NH+](CC)CCOCCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013601225	0	54	0.0	-68.75	401.49	5.83	-62.92
CC[NH+](CC)CCOCCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013601226	0	54	0.0	-69.19	405.31	6.11	-63.08
CC[NH+](CC)CCOCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013601227	0	55	0.0	-61.86	406.79	4.66	-57.20
CC[NH+](CC)CCOCCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013601228	0	52	0.0	-59.15	392.59	3.66	-55.49
CC[NH+](CC)CCOCCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013601229	0	63	0.0	-71.94	474.65	8.53	-63.41
CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013601230	0	49	0.0	-68.37	378.24	5.35	-63.02
CC[NH+](CC)CCOCCNC(=O)NCC1(C(=O)[O-])CC1	REAL300013601231	0	48	0.0	-58.83	370.72	5.15	-53.68
CC[NH+](CC)CCOCCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013601232	0	55	0.0	-61.05	404.94	7.38	-53.67
CC[NH+](CC)CCOCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013601233	0	51	0.0	-65.82	396.11	6.40	-59.42
CC[NH+](CC)CCOCCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013601234	0	52	0.0	-75.07	383.94	5.78	-69.29
CC[NH+](CC)CCOCCNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013601235	0	55	0.0	-57.98	410.91	5.92	-52.06
CC[NH+](CC)CCOCCNC(=O)N1CCC(C(=O)[O-])C1	REAL300013601236	0	48	0.0	-70.63	366.57	5.92	-64.71
CC[NH+](CC)CCOCCNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013601237	0	49	0.0	-72.86	377.86	5.35	-67.51
CC[NH+](CC)CCOCCNC(=O)NC(C)CCC(=O)[O-]	REAL300013601238	0	50	0.0	-63.41	385.20	5.34	-58.07
CC1=CSC(C(C)CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013601267	1	47	0.0	-43.20	379.26	5.43	-37.77
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CCCCCC1	REAL300013601367	1	54	0.0	-35.00	383.96	7.98	-27.02
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CCCCCC1	REAL300013601423	1	54	0.0	-35.14	383.87	8.02	-27.12
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC(Cl)=CC3=C2OCC3)CC1	REAL300013601491	1	47	0.0	-36.92	385.64	6.61	-30.31
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCOC(C3=CC=C(F)C=C3)C2)CC1	REAL300013601574	1	53	0.0	-37.56	412.92	7.47	-30.09
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013601634	1	48	0.0	-41.32	370.23	7.65	-33.67
COC1CCC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013601700	1	55	0.0	-40.59	405.41	6.32	-34.27
CC1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1C	REAL300013601757	1	51	0.0	-35.25	366.49	6.82	-28.43
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NC=CS1	REAL300013601803	1	44	0.0	-39.27	358.26	4.87	-34.40
CNC(=O)C1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013601867	1	52	0.0	-46.23	392.77	4.10	-42.13
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CSC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300013603427	0	54	0.0	-66.77	415.31	8.64	-58.13
CSC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603428	0	52	0.0	-73.00	409.22	8.63	-64.37
CSC1=CC=C(C(CNC(=O)N2CCC(CCC(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013603429	0	58	0.0	-77.82	441.94	11.33	-66.49
CSC1=CC=C(C(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603430	0	54	0.0	-77.22	419.52	8.02	-69.20
CSC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300013603431	0	55	0.0	-65.86	425.80	9.41	-56.45
CSC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)[NH+](C)C)C=C1	REAL300013603432	0	55	0.0	-73.46	414.52	10.60	-62.86
CSC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCC2)[NH+](C)C)C=C1	REAL300013603433	0	52	0.0	-65.22	408.72	8.57	-56.65
CSC1=CC=C(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300013603434	0	55	0.0	-76.83	433.11	9.46	-67.37
CSC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013603435	0	55	0.0	-80.83	415.11	10.20	-70.63
CSC1=CC=C(C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+](C)C)C=C1	REAL300013603436	0	60	0.0	-75.74	454.42	9.80	-65.94
CSC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+](C)C)C=C1	REAL300013603437	0	52	0.0	-69.03	418.72	9.57	-59.46
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=C(SC)C=C2)[NH+](C)C)C1	REAL300013603438	0	56	0.0	-76.97	439.38	8.58	-68.39
CSC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603439	0	49	0.0	-73.05	392.33	7.94	-65.11
CSC1=CC=C(C(CNC(=O)NC2CCN(CC(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013603440	0	57	0.0	-77.61	441.16	7.05	-70.56
CSC1=CC=C(C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603441	0	52	0.0	-65.21	401.19	9.86	-55.35
CSC1=CC=C(C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603442	0	52	0.0	-78.99	401.27	9.86	-69.13
CSC1=CC=C(C(CNC(=O)NC2CC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603443	0	49	0.0	-75.23	392.42	7.93	-67.30
CSC1=CC=C(C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603444	0	49	0.0	-76.11	389.33	8.87	-67.24
CSC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300013603445	0	52	0.0	-76.02	421.80	10.35	-65.67
CCC(CNC(=O)NCC(C1=CC=C(SC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013603446	0	51	0.0	-66.59	400.72	8.24	-58.35
CSC1=CC=C(C(CNC(=O)N2CCCCC2CCC(=O)[O-])[NH+](C)C)C=C1	REAL300013603447	0	58	0.0	-78.75	435.17	11.26	-67.49
CSC1=CC=C(C(CNC(=O)NCCCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013603448	0	60	0.0	-79.49	473.20	10.50	-68.99
CSC1=CC=C(C(CNC(=O)NCCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013603449	0	57	0.0	-80.10	451.70	9.72	-70.38
CSC1=CC=C(C(CNC(=O)N(C)CCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013603450	0	51	0.0	-74.98	404.83	9.77	-65.21
CSC1=CC=C(C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603451	0	55	0.0	-79.84	416.73	10.65	-69.19
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=C(SC)C=C1)[NH+](C)C	REAL300013603452	0	55	0.0	-64.34	436.51	9.12	-55.22
CSC1=CC=C(C(CNC(=O)N2CCCC(CCC(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603453	0	58	0.0	-79.41	442.30	11.33	-68.08
CSC1=CC=C(C(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013603454	0	53	0.0	-72.82	413.35	8.67	-64.15
CSC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])CCC2C)[NH+](C)C)C=C1	REAL300013603455	0	55	0.0	-67.58	417.28	10.43	-57.15
CSC1=CC=C(C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603456	0	53	0.0	-77.31	411.47	7.45	-69.86
CSC1=CC=C(C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)[NH+](C)C)C=C1	REAL300013603457	0	50	0.0	-80.51	403.02	8.17	-72.34
CSC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013603458	0	55	0.0	-71.55	423.64	9.62	-61.93
CSC1=CC=C(C(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013603459	0	58	0.0	-80.62	446.49	9.87	-70.75
CSC1=CC=C(C(CNC(=O)N2CCC(CC(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013603460	0	55	0.0	-77.63	419.63	10.55	-67.08
CSC1=CC=C(C(CNC(=O)N2CCC(OCC(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013603461	0	56	0.0	-78.24	436.20	9.96	-68.28
CSC1=CC=C(C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603462	0	55	0.0	-76.53	427.60	9.17	-67.36
CSC1=CC=C(C(CNC(=O)NC2CCCC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603463	0	55	0.0	-74.68	423.31	9.58	-65.10
CSC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCOC2)[NH+](C)C)C=C1	REAL300013603464	0	56	0.0	-73.56	432.84	8.02	-65.54
CSC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOC2)[NH+](C)C)C=C1	REAL300013603465	0	53	0.0	-69.24	414.49	6.70	-62.54
CSC1=CC=C(C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+](C)C)C=C1	REAL300013603466	0	50	0.0	-74.55	403.96	8.66	-65.89
CSC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013603467	0	49	0.0	-63.75	392.62	8.20	-55.55
CSC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)[NH+](C)C)C=C1	REAL300013603468	0	56	0.0	-70.99	429.94	10.65	-60.34
CSC1=CC=C(C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603469	0	53	0.0	-61.17	406.50	10.01	-51.16
CSC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603470	0	46	0.0	-70.18	373.37	8.22	-61.96
COC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=C(SC)C=C2)[NH+](C)C)C1	REAL300013603471	0	56	0.0	-69.76	432.73	8.98	-60.78
CSC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013603472	0	49	0.0	-77.52	385.24	9.84	-67.68
CSC1=CC=C(C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+](C)C)C=C1	REAL300013603473	0	50	0.0	-81.64	400.54	9.65	-71.99
CSC1=CC=C(C(CNC(=O)NC(C)CCC(=O)[O-])[NH+](C)C)C=C1	REAL300013603474	0	51	0.0	-72.51	406.96	8.39	-64.12
COC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCC1	REAL300013603487	1	49	0.0	-35.22	363.42	4.79	-30.43
CCC1=NN=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N1	REAL300013603528	1	44	0.0	-41.18	350.21	4.16	-37.02
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C([N+](=O)[O-])C=C1	REAL300013603584	1	47	0.0	-41.46	378.89	7.79	-33.67
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1Cl	REAL300013603659	1	45	0.0	-37.78	370.33	7.96	-29.82
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1Cl	REAL300013603734	1	45	0.0	-37.83	369.71	7.62	-30.21
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC(C2CC2)=C1	REAL300013603808	1	52	0.0	-35.95	399.50	9.18	-26.77
O=C([O-])C[NH+]1CCC(NC(=O)N[C@H]2CCCC3=C(F)C=C(F)C=C32)CC1	REAL300013603884	1	49	0.0	-37.38	378.29	7.83	-29.55
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2CCCC3=C(F)C=C(F)C=C32)CC1	REAL300013603958	1	49	0.0	-36.57	378.18	7.83	-28.74
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCC3=C(F)C=CC=C32)CC1	REAL300013604031	1	49	0.0	-36.98	371.67	7.76	-29.22
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=C(Cl)C=CC=C2N2C=CN=C2)CC1	REAL300013604105	1	49	0.0	-40.51	399.96	9.63	-30.88
CC(F)(F)CCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013604151	1	44	0.0	-37.07	348.45	5.69	-31.38
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2CCOCC2)CC1	REAL300013604200	1	52	0.0	-37.27	387.67	5.58	-31.69
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CSC3=CC=CC=C32)CC1	REAL300013604267	1	47	0.0	-39.04	374.63	7.75	-31.29
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN3C=CN=C23)CC1	REAL300013604321	1	43	0.0	-44.79	336.16	5.25	-39.54
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NNC(=O)C=C2)CC1	REAL300013604357	1	41	0.0	-42.10	330.68	2.02	-40.08
CS(=O)(=O)CC1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013604415	1	54	0.0	-51.14	413.99	4.20	-46.94
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC(F)=CN=C2Cl)CC1	REAL300013604520	1	41	0.0	-36.79	349.01	4.93	-31.86
CCCC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC	REAL300013604573	1	48	0.0	-35.89	367.47	4.72	-31.17
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCCC2(F)F)CC1	REAL300013604624	1	48	0.0	-40.29	362.55	6.97	-33.32
CC1=CC=C(C2(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)CC2)C(C)=C1	REAL300013604696	1	55	0.0	-35.51	420.30	9.43	-26.08
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2CCC3=CC=CC=C32)CC1	REAL300013604822	1	52	0.0	-37.67	395.27	8.71	-28.96
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC(C3CC3)=CC=C2F)CC1	REAL300013604897	1	49	0.0	-35.84	388.04	8.39	-27.45
CC1=CC([C@@H](C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1F	REAL300013604968	1	48	0.0	-37.06	377.36	7.82	-29.24
CCC(COCC(F)(F)F)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013605040	1	48	0.0	-37.13	380.83	5.04	-32.09
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013605082	0	54	0.0	-74.63	392.01	9.48	-65.15
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013605083	0	54	0.0	-76.00	406.30	8.75	-67.25
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013605084	0	52	0.0	-60.14	375.24	7.62	-52.52
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013605085	0	57	0.0	-78.35	408.92	8.44	-69.91
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCCCC(=O)[O-]	REAL300013605086	0	53	0.0	-74.86	390.04	7.43	-67.43
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013605087	0	54	0.0	-77.47	406.30	8.74	-68.73
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCCCCC(=O)[O-]	REAL300013605088	0	56	0.0	-73.19	411.54	8.21	-64.98
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013605089	0	53	0.0	-75.52	381.89	7.32	-68.20
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013605090	0	54	0.0	-75.12	388.13	8.83	-66.29
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013605091	0	57	0.0	-56.47	412.29	9.99	-46.48
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013605092	0	57	0.0	-70.69	404.63	9.72	-60.97
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013605093	0	57	0.0	-80.23	394.35	9.42	-70.81
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013605094	0	58	0.0	-64.36	417.02	7.10	-57.26
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013605095	0	56	0.0	-70.74	409.83	7.76	-62.98
CCC(CC)(CNC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)C(=O)[O-]	REAL300013605096	0	59	0.0	-62.05	411.48	8.66	-53.39
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013605097	0	56	0.0	-56.07	399.07	7.90	-48.17
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013605098	0	63	0.0	-77.65	451.24	10.25	-67.40
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013605099	0	60	0.0	-64.56	445.80	10.26	-54.30
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013605100	0	54	0.0	-63.94	391.90	8.35	-55.59
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013605101	0	60	0.0	-75.19	422.15	10.55	-64.64
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013605102	0	56	0.0	-63.58	402.27	7.75	-55.83
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013605103	0	57	0.0	-64.39	415.01	8.93	-55.46
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013605104	0	57	0.0	-70.80	403.59	10.04	-60.76
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013605105	0	54	0.0	-61.67	397.55	8.36	-53.31
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013605106	0	57	0.0	-70.12	414.04	8.63	-61.49
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013605107	0	57	0.0	-70.69	404.63	9.72	-60.97
CC(C)C[C@H](CNC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)CC(=O)[O-]	REAL300013605108	0	62	0.0	-65.07	435.05	9.05	-56.02
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013605109	0	54	0.0	-70.74	408.31	9.15	-61.59
COCC1(C(=O)[O-])CCN(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1	REAL300013605110	0	58	0.0	-70.87	428.59	8.12	-62.75
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013605111	0	51	0.0	-71.37	382.35	7.45	-63.92
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013605112	0	59	0.0	-73.35	430.15	6.54	-66.81
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013605113	0	54	0.0	-78.20	390.69	9.40	-68.80
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013605114	0	54	0.0	-77.22	383.53	9.76	-67.46
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC1CC(C(=O)[O-])C1	REAL300013605115	0	51	0.0	-68.73	382.02	7.50	-61.23
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013605116	0	51	0.0	-68.97	379.72	7.58	-61.39
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013605117	0	54	0.0	-77.47	406.30	8.74	-68.73
CCC(CNC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)C(=O)[O-]	REAL300013605118	0	53	0.0	-60.06	395.54	7.55	-52.51
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013605119	0	60	0.0	-82.06	424.83	10.80	-71.26
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013605120	0	62	0.0	-76.19	463.20	10.07	-66.12
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013605121	0	59	0.0	-76.45	433.04	8.99	-67.46
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CCCC(=O)[O-]	REAL300013605122	0	53	0.0	-72.32	394.34	9.32	-63.00
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013605123	0	57	0.0	-79.85	406.58	10.13	-69.72
COCC1(C(=O)[O-])CCCN(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1	REAL300013605124	0	61	0.0	-82.27	430.12	9.06	-73.21
COCCN(CCC(=O)[O-])C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1	REAL300013605125	0	57	0.0	-54.45	417.85	8.41	-46.04
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013605126	0	60	0.0	-78.89	423.71	10.51	-68.38
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013605127	0	58	0.0	-72.16	415.96	11.65	-60.51
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013605128	0	55	0.0	-68.04	395.54	7.91	-60.13
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013605129	0	57	0.0	-55.58	399.97	9.68	-45.90
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013605130	0	61	0.0	-64.25	444.05	11.69	-52.56
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013605131	0	55	0.0	-74.57	392.36	6.72	-67.85
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013605132	0	58	0.0	-72.99	428.98	9.98	-63.01
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013605133	0	61	0.0	-76.71	435.11	9.10	-67.61
COCC1(C(=O)[O-])CCN(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1	REAL300013605134	0	61	0.0	-77.56	434.89	9.58	-67.98
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013605135	0	52	0.0	-78.54	392.41	7.73	-70.81
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013605136	0	63	0.0	-74.26	429.88	9.41	-64.85
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013605137	0	57	0.0	-67.53	404.41	9.44	-58.09
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013605138	0	60	0.0	-75.91	430.31	9.92	-65.99
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013605139	0	57	0.0	-66.20	401.04	9.74	-56.46
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013605140	0	58	0.0	-77.61	416.44	9.20	-68.41
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013605141	0	57	0.0	-72.24	408.40	8.43	-63.81
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013605142	0	57	0.0	-69.25	403.96	8.86	-60.39
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013605143	0	58	0.0	-61.21	410.87	7.02	-54.19
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013605144	0	55	0.0	-56.86	395.70	5.98	-50.88
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013605145	0	52	0.0	-70.24	391.01	8.26	-61.98
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CC1	REAL300013605146	0	51	0.0	-57.35	373.82	7.48	-49.87
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013605147	0	58	0.0	-63.73	410.77	9.93	-53.80
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013605148	0	54	0.0	-70.59	404.44	8.99	-61.60
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013605149	0	55	0.0	-79.79	399.16	8.67	-71.12
COC1CC(C(=O)[O-])CN(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1	REAL300013605150	0	58	0.0	-78.53	416.06	8.05	-70.48
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C(=O)[O-])C1	REAL300013605151	0	51	0.0	-74.50	378.09	8.50	-66.00
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013605152	0	52	0.0	-76.45	383.72	7.91	-68.54
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC(C)CCC(=O)[O-]	REAL300013605153	0	53	0.0	-68.03	388.30	7.66	-60.37
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3=C(O)C=CC=C32)CC1	REAL300013605182	1	47	0.0	-38.59	367.43	4.70	-33.89
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=N1	REAL300013605249	1	50	0.0	-39.91	380.69	6.70	-33.21
COCCOC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCOCC1	REAL300013605322	1	57	0.0	-37.16	424.94	3.39	-33.77
COC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013605394	1	52	0.0	-37.02	405.37	6.93	-30.09
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(C(F)(F)F)=N2)CC1	REAL300013605473	1	44	0.0	-39.31	367.83	5.44	-33.87
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=C(F)C(Cl)=C2)CC1	REAL300013605549	1	46	0.0	-38.61	385.64	6.45	-32.16
CCC(C)C(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC	REAL300013605610	1	51	0.0	-35.34	378.65	4.87	-30.47
CC1=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=N1	REAL300013605654	1	44	0.0	-37.76	349.63	5.11	-32.65
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300013605709	1	46	0.0	-37.95	394.96	6.87	-31.08
CCC1CCCCC1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013605764	1	54	0.0	-35.23	383.65	7.52	-27.71
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300013605831	1	58	0.0	-41.50	443.19	11.07	-30.43
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(OC3=CC=CC=C3)=C2)CC1	REAL300013605898	1	53	0.0	-38.19	422.60	9.12	-29.07
CCOC(=O)NC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)CC(C)C	REAL300013605976	1	58	0.0	-38.08	443.03	4.96	-33.12
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC3=CC=CC=C3C=C2)CC1	REAL300013606068	1	51	0.0	-43.43	400.76	9.30	-34.13
CCC1CCCCC1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013606121	1	51	0.0	-34.81	368.83	7.85	-26.96
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=CC(F)=C2)CC1	REAL300013606198	1	46	0.0	-38.99	369.47	5.96	-33.03
COC(=O)CCCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013606314	1	53	0.0	-40.84	414.29	7.14	-33.70
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C(N3CCCCC3)C=C2)CC1	REAL300013606389	1	60	0.0	-41.92	447.20	8.30	-33.62
O=C([O-])C[NH+]1CCC(NC(=O)NCC(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300013606497	1	55	0.0	-41.21	423.86	10.26	-30.95
CC1=CC=CC(C2(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)CCCCC2)=C1	REAL300013606566	1	61	0.0	-34.99	440.64	10.34	-24.65
O=C([O-])C[NH+]1CCC(NC(=O)NC2COC3=CC=CC=C3C2)CC1	REAL300013606688	1	47	0.0	-39.09	364.57	6.24	-32.85
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=CC=C2)C2CCCCC2)CC1	REAL300013606761	1	58	0.0	-34.50	422.80	9.73	-24.77
CCCOCC1=CC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013606843	1	55	0.0	-36.27	426.24	7.91	-28.36
O=C([O-])C1=CC=C(CNC(=O)NC2CC[N@@H+]3CCCCC23)C=C1	REAL300013606886	0	46	0.0	-74.36	359.67	7.24	-67.12
O=C([O-])C1=CC=C(CNC(=O)NC2CC[N@H+]3CCCCC23)C=C1	REAL300013606886	1	46	0.0	-74.36	359.64	7.24	-67.12
O=C([O-])C1CCC(NC(=O)NC2CC[N@@H+]3CCCCC23)CC1	REAL300013606887	0	49	0.0	-75.32	362.36	6.93	-68.39
O=C([O-])C1CCC(NC(=O)NC2CC[N@H+]3CCCCC23)CC1	REAL300013606887	1	49	0.0	-65.88	356.53	7.30	-58.58
O=C([O-])C1=CC(CNC(=O)NC2CC[N@@H+]3CCCCC23)=CC=C1	REAL300013606888	0	46	0.0	-72.67	356.33	7.52	-65.15
O=C([O-])C1=CC(CNC(=O)NC2CC[N@H+]3CCCCC23)=CC=C1	REAL300013606888	1	46	0.0	-72.66	356.42	7.53	-65.13
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NC2CC[N@@H+]3CCCCC23)CC1	REAL300013606889	0	56	0.0	-73.43	408.52	10.77	-62.66
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NC2CC[N@H+]3CCCCC23)CC1	REAL300013606889	1	56	0.0	-77.07	413.77	11.12	-65.95
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+]3CCCCC23)C1	REAL300013606890	0	49	0.0	-57.79	356.65	8.18	-49.61
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+]3CCCCC23)C1	REAL300013606890	1	49	0.0	-57.65	357.41	8.15	-49.50
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+]3CCCCC23)CC1	REAL300013606891	0	49	0.0	-71.25	349.21	7.90	-63.35
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+]3CCCCC23)CC1	REAL300013606891	1	49	0.0	-71.60	349.66	7.87	-63.73
CC1CCN(C(=O)NC2CC[N@@H+]3CCCCC23)CC1C(=O)[O-]	REAL300013606892	0	49	0.0	-57.84	352.96	8.44	-49.40
CC1CCN(C(=O)NC2CC[N@H+]3CCCCC23)CC1C(=O)[O-]	REAL300013606892	1	49	0.0	-59.52	355.33	8.14	-51.38
O=C([O-])C1(CNC(=O)NC2CC[N@@H+]3CCCCC23)CCOCC1	REAL300013606893	0	50	0.0	-60.07	358.60	5.57	-54.50
O=C([O-])C1(CNC(=O)NC2CC[N@H+]3CCCCC23)CCOCC1	REAL300013606893	1	50	0.0	-61.28	362.39	5.29	-55.99
CCC(CC)(CNC(=O)NC1CC[N@@H+]2CCCCC12)C(=O)[O-]	REAL300013606894	0	51	0.0	-58.98	362.80	6.98	-52.00
CCC(CC)(CNC(=O)NC1CC[N@H+]2CCCCC12)C(=O)[O-]	REAL300013606894	1	51	0.0	-60.60	361.46	7.47	-53.13
CC(NC(=O)NC1CC[N@@H+]2CCCCC12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013606895	0	55	0.0	-75.82	397.89	8.16	-67.66
CC(NC(=O)NC1CC[N@H+]2CCCCC12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013606895	1	55	0.0	-73.29	392.00	8.08	-65.21
CC(CNC(=O)NC1CC[N@@H+]2CCCCC12)(C(=O)[O-])C1=CC=CC=C1	REAL300013606896	0	52	0.0	-60.71	386.86	8.66	-52.05
CC(CNC(=O)NC1CC[N@H+]2CCCCC12)(C(=O)[O-])C1=CC=CC=C1	REAL300013606896	1	52	0.0	-61.79	386.84	8.66	-53.13
O=C([O-])CCC1CCN(C(=O)NC2CC[N@@H+]3CCCCC23)CC1	REAL300013606897	0	52	0.0	-72.14	376.26	9.08	-63.06
O=C([O-])CCC1CCN(C(=O)NC2CC[N@H+]3CCCCC23)CC1	REAL300013606897	1	52	0.0	-73.63	376.30	9.04	-64.59
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[N@@H+]3CCCCC13)C2	REAL300013606898	0	48	0.0	-70.48	349.86	6.16	-64.32
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[N@H+]3CCCCC13)C2	REAL300013606898	1	48	0.0	-72.20	353.83	5.79	-66.41
O=C([O-])C1(CNC(=O)NC2CC[N@@H+]3CCCCC23)CCCC1	REAL300013606899	0	49	0.0	-60.15	357.07	7.50	-52.65
O=C([O-])C1(CNC(=O)NC2CC[N@H+]3CCCCC23)CCCC1	REAL300013606899	1	49	0.0	-61.66	357.35	7.40	-54.26
CC1CN(C(=O)NC2CC[N@@H+]3CCCCC23)CCC1C(=O)[O-]	REAL300013606900	0	49	0.0	-68.27	348.96	8.34	-59.93
CC1CN(C(=O)NC2CC[N@H+]3CCCCC23)CCC1C(=O)[O-]	REAL300013606900	1	49	0.0	-73.51	355.35	8.15	-65.36
O=C([O-])CC(CNC(=O)NC1CC[N@@H+]2CCCCC12)C1CC1	REAL300013606901	0	49	0.0	-65.08	365.84	7.18	-57.90
O=C([O-])CC(CNC(=O)NC1CC[N@H+]2CCCCC12)C1CC1	REAL300013606901	1	49	0.0	-70.87	364.54	7.52	-63.35
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+]3CCCCC23)CC1	REAL300013606902	0	49	0.0	-71.25	349.21	7.90	-63.35
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+]3CCCCC23)CC1	REAL300013606902	1	49	0.0	-71.60	349.66	7.87	-63.73
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+]2CCCCC12)CC(=O)[O-]	REAL300013606903	0	54	0.0	-69.23	385.01	7.80	-61.43
CC(C)C[C@H](CNC(=O)NC1CC[N@H+]2CCCCC12)CC(=O)[O-]	REAL300013606903	1	54	0.0	-67.48	385.02	7.89	-59.59
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@@H+]2CCCCC12	REAL300013606904	0	46	0.0	-67.40	353.18	7.36	-60.04
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@H+]2CCCCC12	REAL300013606904	1	46	0.0	-67.61	349.90	7.66	-59.95
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+]3CCCCC23)C1	REAL300013606905	0	50	0.0	-75.16	368.04	7.44	-67.72
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+]3CCCCC23)C1	REAL300013606905	1	50	0.0	-69.38	369.12	7.28	-62.10
O=C([O-])CN1CCC(NC(=O)NC2CC[N@@H+]3CCCCC23)CC1	REAL300013606906	0	51	0.0	-73.02	374.85	4.73	-68.29
O=C([O-])CN1CCC(NC(=O)NC2CC[N@H+]3CCCCC23)CC1	REAL300013606906	1	51	0.0	-73.65	371.58	5.04	-68.61
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CC1C[N@H+](CC2=CC=CC(CNC(=O)NCCCC(=O)[O-])=C2)CCO1	REAL300013608248	1	52	0.0	-73.57	410.28	6.56	-67.01
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCCCC(=O)[O-])=C2)CCO1	REAL300013608248	1	52	0.0	-74.06	410.29	6.57	-67.49
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC(C)C(C(=O)[O-])C3)=C2)CCO1	REAL300013608249	1	59	0.0	-66.85	438.06	9.61	-57.24
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC(C)C(C(=O)[O-])C3)=C2)CCO1	REAL300013608249	1	59	0.0	-62.03	439.75	9.49	-52.54
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C2)CCO1	REAL300013608250	1	58	0.0	-74.36	443.56	7.44	-66.92
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C2)CCO1	REAL300013608250	1	58	0.0	-74.82	443.57	7.45	-67.37
CCC(CC)(CNC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300013608251	1	61	0.0	-72.63	455.87	8.24	-64.39
CCC(CC)(CNC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300013608251	1	61	0.0	-68.54	455.87	8.25	-60.29
CC(CNC(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300013608252	1	52	0.0	-77.20	407.32	6.52	-70.68
CC(CNC(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300013608252	1	52	0.0	-77.40	406.45	6.51	-70.89
CC(C)C(CNC(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300013608253	1	58	0.0	-72.97	446.07	7.70	-65.27
CC(C)C(CNC(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300013608253	1	58	0.0	-69.32	446.07	7.72	-61.60
CC1C[N@H+](CC2=CC=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)CCO1	REAL300013608254	1	56	0.0	-71.07	424.98	7.78	-63.29
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)CCO1	REAL300013608254	1	56	0.0	-71.22	431.75	7.81	-63.41
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCCC3)=C2)CCO1	REAL300013608255	1	59	0.0	-72.27	442.05	8.57	-63.70
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCCC3)=C2)CCO1	REAL300013608255	1	59	0.0	-72.51	448.74	8.60	-63.91
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC(C(=O)[O-])C(C)C3)=C2)CCO1	REAL300013608256	1	59	0.0	-72.07	439.16	9.85	-62.22
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC(C(=O)[O-])C(C)C3)=C2)CCO1	REAL300013608256	1	59	0.0	-77.76	440.91	9.53	-68.23
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCC3)=C2)CCO1	REAL300013608257	1	56	0.0	-70.10	424.02	7.88	-62.22
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCC3)=C2)CCO1	REAL300013608257	1	56	0.0	-66.53	430.72	7.92	-58.61
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCC(CC(=O)[O-])C3CC3)=C2)CCO1	REAL300013608258	1	59	0.0	-69.89	454.30	8.59	-61.30
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCC(CC(=O)[O-])C3CC3)=C2)CCO1	REAL300013608258	1	59	0.0	-74.29	447.97	9.22	-65.07
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)=C2)CCO1	REAL300013608259	1	59	0.0	-79.71	430.86	9.31	-70.40
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)=C2)CCO1	REAL300013608259	1	59	0.0	-79.74	437.56	9.34	-70.40
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])=C2)CCO1	REAL300013608260	1	56	0.0	-71.98	441.66	8.76	-63.22
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])=C2)CCO1	REAL300013608260	1	56	0.0	-73.08	441.62	8.77	-64.31
CC1C[N@H+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)CCO1	REAL300013608261	1	53	0.0	-74.79	408.97	7.10	-67.69
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)CCO1	REAL300013608261	1	53	0.0	-75.06	415.74	7.12	-67.94
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)=C2)CCO1	REAL300013608262	1	56	0.0	-65.59	424.27	9.05	-56.54
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)=C2)CCO1	REAL300013608262	1	56	0.0	-65.20	424.27	9.04	-56.16
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)=C2)CCO1	REAL300013608263	1	56	0.0	-82.43	425.42	9.09	-73.34
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)=C2)CCO1	REAL300013608263	1	56	0.0	-81.46	424.71	9.05	-72.41
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3CC(C(=O)[O-])C3)=C2)CCO1	REAL300013608264	1	53	0.0	-74.79	408.97	7.10	-67.69
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3CC(C(=O)[O-])C3)=C2)CCO1	REAL300013608264	1	53	0.0	-76.54	415.27	7.18	-69.36
CC1C[N@H+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2)CCO1	REAL300013608265	1	53	0.0	-77.01	415.29	7.19	-69.82
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2)CCO1	REAL300013608265	1	53	0.0	-76.54	415.27	7.18	-69.36
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)=C2)CCO1	REAL300013608266	1	56	0.0	-81.44	441.30	8.63	-72.81
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)=C2)CCO1	REAL300013608266	1	56	0.0	-77.76	448.01	8.66	-69.10
CCC(CNC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300013608267	1	55	0.0	-70.51	424.26	7.33	-63.18
CCC(CNC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300013608267	1	55	0.0	-72.70	429.28	7.23	-65.47
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCCCCCCC(=O)[O-])=C2)CCO1	REAL300013608268	1	61	0.0	-80.59	474.77	8.90	-71.69
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCCCCCCC(=O)[O-])=C2)CCO1	REAL300013608268	1	61	0.0	-80.90	474.78	8.91	-71.99
CC1C[N@H+](CC2=CC=CC(CNC(=O)N(C)CCCC(=O)[O-])=C2)CCO1	REAL300013608269	1	55	0.0	-77.44	421.17	8.94	-68.50
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N(C)CCCC(=O)[O-])=C2)CCO1	REAL300013608269	1	55	0.0	-78.07	427.88	8.98	-69.09
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)=C2)CCO1	REAL300013608270	1	59	0.0	-81.84	433.32	9.77	-72.07
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)=C2)CCO1	REAL300013608270	1	59	0.0	-82.63	440.01	9.78	-72.85
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300013608271	1	59	0.0	-64.56	452.85	8.29	-56.27
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300013608271	1	59	0.0	-61.79	459.59	8.33	-53.46
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CC(C(=O)[O-])CCC3C)=C2)CCO1	REAL300013608272	1	59	0.0	-81.99	440.85	9.64	-72.35
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CC(C(=O)[O-])CCC3C)=C2)CCO1	REAL300013608272	1	59	0.0	-63.56	440.90	9.66	-53.90
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)=C2)CCO1	REAL300013608273	1	57	0.0	-77.89	427.58	6.57	-71.32
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)=C2)CCO1	REAL300013608273	1	57	0.0	-78.96	434.29	6.61	-72.35
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)=C2)CCO1	REAL300013608274	1	54	0.0	-80.40	418.75	7.32	-73.08
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)=C2)CCO1	REAL300013608274	1	54	0.0	-81.23	425.25	7.38	-73.85
CC1C[N@H+](CC2=CC=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=C2)CCO1	REAL300013608275	1	59	0.0	-73.64	438.19	8.72	-64.92
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=C2)CCO1	REAL300013608275	1	59	0.0	-74.10	444.88	8.75	-65.35
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC(CC(=O)[O-])CC3)=C2)CCO1	REAL300013608276	1	59	0.0	-77.58	442.42	9.70	-67.88
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC(CC(=O)[O-])CC3)=C2)CCO1	REAL300013608276	1	59	0.0	-78.80	442.42	9.71	-69.09
CC1C[N@H+](CC2=CC=CC(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=C2)CCO1	REAL300013608277	1	59	0.0	-73.92	450.14	8.34	-65.58
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=C2)CCO1	REAL300013608277	1	59	0.0	-74.47	450.10	8.35	-66.12
CC1C[N@H+](CC2=CC=CC(CNC(=O)NC3CCCC(C(=O)[O-])C3)=C2)CCO1	REAL300013608278	1	59	0.0	-74.27	450.67	8.35	-65.92
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NC3CCCC(C(=O)[O-])C3)=C2)CCO1	REAL300013608278	1	59	0.0	-71.02	445.72	8.77	-62.25
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCOC3)=C2)CCO1	REAL300013608279	1	57	0.0	-66.29	430.55	5.86	-60.43
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCOC3)=C2)CCO1	REAL300013608279	1	57	0.0	-66.18	437.25	5.88	-60.30
CC1C[N@H+](CC2=CC=CC(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2)CCO1	REAL300013608280	1	54	0.0	-73.19	427.22	7.85	-65.34
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2)CCO1	REAL300013608280	1	54	0.0	-73.17	420.49	7.82	-65.35
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CC3)=C2)CCO1	REAL300013608281	1	53	0.0	-68.11	409.20	7.47	-60.64
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CC3)=C2)CCO1	REAL300013608281	1	53	0.0	-69.43	419.56	7.25	-62.18
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)=C2)CCO1	REAL300013608282	1	57	0.0	-81.50	425.83	8.25	-73.25
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)=C2)CCO1	REAL300013608282	1	57	0.0	-82.41	432.52	8.29	-74.12
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CC(C(=O)[O-])C3)=C2)CCO1	REAL300013608283	1	50	0.0	-69.39	389.76	7.31	-62.08
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CC(C(=O)[O-])C3)=C2)CCO1	REAL300013608283	1	50	0.0	-70.45	395.89	7.35	-63.10
CC1C[N@H+](CC2=CC=CC(CNC(=O)N3CCC(C(=O)[O-])C3)=C2)CCO1	REAL300013608284	1	53	0.0	-76.81	404.30	8.09	-68.72
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N3CCC(C(=O)[O-])C3)=C2)CCO1	REAL300013608284	1	53	0.0	-78.53	411.04	8.12	-70.41
CC1C[N@H+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2)CCO1	REAL300013608285	1	54	0.0	-80.61	426.44	7.86	-72.75
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2)CCO1	REAL300013608285	1	54	0.0	-80.96	426.37	7.86	-73.10
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1	REAL300013608286	1	55	0.0	-73.45	423.29	7.55	-65.90
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1	REAL300013608286	1	55	0.0	-73.97	430.03	7.58	-66.39
CS(=O)(=O)N1CCCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013608346	1	50	0.0	-46.40	389.94	2.41	-43.99
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3C=CN=C3)C(F)=C2)CC1	REAL300013608445	1	49	0.0	-42.17	399.07	8.85	-33.32
CC1=NC=CN1C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013608516	1	52	0.0	-42.49	418.13	8.79	-33.70
CCCCC1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013608631	1	57	0.0	-39.52	417.16	8.72	-30.80
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCOC2C2=CC=CC=C2)CC1	REAL300013608707	1	56	0.0	-38.36	415.28	7.76	-30.60
O=C([O-])C[NH+]1CCC(NC(=O)NCCS(=O)(=O)C2=CC=CC=C2)CC1	REAL300013608780	1	48	0.0	-46.09	393.51	4.02	-42.07
CC1=NOC(C)=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013608833	1	44	0.0	-38.54	350.27	5.04	-33.50
COCCOCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013608866	1	46	0.0	-38.27	361.92	2.55	-35.72
O=C([O-])C[NH+]1CCC(NC(=O)NCCS(=O)(=O)CC2=CC=CC=C2)CC1	REAL300013608922	1	51	0.0	-50.37	417.85	4.68	-45.69
O=C([O-])C1CCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013608987	0	55	0.0	-76.43	409.02	10.73	-65.70
O=C([O-])C1=CC=C(CNC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300013608988	0	55	0.0	-79.84	433.14	10.36	-69.48
O=C([O-])C1CN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCO1	REAL300013608989	0	53	0.0	-65.74	402.19	9.19	-56.55
O=C([O-])C1CCC(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013608990	0	58	0.0	-72.40	430.03	10.44	-61.96
O=C([O-])CCCCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013608991	0	54	0.0	-80.51	416.88	9.04	-71.47
O=C([O-])C1=CC(CNC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1	REAL300013608992	0	55	0.0	-80.73	433.15	10.35	-70.38
O=C([O-])CCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013608993	0	48	0.0	-77.64	373.88	7.46	-70.18
O=C([O-])CCCCCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013608994	0	57	0.0	-78.71	438.38	9.82	-68.89
CC(C)(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013608995	0	54	0.0	-80.97	408.74	8.93	-72.04
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013608996	0	55	0.0	-80.20	416.23	10.32	-69.88
CC1CC(C(=O)[O-])CN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013608997	0	58	0.0	-61.78	430.28	11.31	-50.47
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013608998	0	58	0.0	-79.57	423.27	11.06	-68.51
O=C([O-])CCCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013608999	0	51	0.0	-74.40	395.38	8.26	-66.14
CC1CCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1C(=O)[O-]	REAL300013609000	0	58	0.0	-63.34	425.26	11.19	-52.15
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCOCC1	REAL300013609001	0	59	0.0	-70.04	435.49	8.42	-61.62
CC(C)(CCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013609002	0	57	0.0	-75.20	428.08	9.14	-66.06
CCC(CC)(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013609003	0	60	0.0	-68.41	438.32	10.28	-58.13
CC(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013609004	0	51	0.0	-78.88	391.55	8.20	-70.68
CC(C)C(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013609005	0	57	0.0	-70.95	431.17	9.41	-61.54
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013609006	0	55	0.0	-72.39	416.46	9.47	-62.92
O=C([O-])CCC1CCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013609007	0	61	0.0	-79.96	449.87	12.21	-67.75
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300013609008	0	57	0.0	-78.68	426.26	8.98	-69.70
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300013609009	0	58	0.0	-69.79	433.84	10.31	-59.48
CC1CN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCC1C(=O)[O-]	REAL300013609010	0	58	0.0	-76.06	422.46	11.47	-64.59
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCC1	REAL300013609011	0	55	0.0	-68.19	415.85	9.61	-58.58
O=C([O-])CC(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300013609012	0	58	0.0	-79.20	440.89	10.24	-68.96
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013609013	0	58	0.0	-79.57	423.27	11.06	-68.51
CC(C)C[C@H](CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013609014	0	63	0.0	-70.98	467.30	10.86	-60.12
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COCC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013609016	0	59	0.0	-82.31	447.10	9.45	-72.86
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O=C([O-])[C@@H]1CCCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013609019	0	55	0.0	-83.60	409.05	10.68	-72.92
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O=C([O-])C1CC(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013609021	0	52	0.0	-75.11	400.85	8.83	-66.28
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013609022	0	52	0.0	-77.59	399.99	8.83	-68.76
O=C([O-])C1=CC(CNC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1	REAL300013609023	0	55	0.0	-80.73	433.15	10.35	-70.38
CCC(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013609024	0	54	0.0	-70.35	414.38	8.92	-61.43
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CN(CCCC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013609028	0	54	0.0	-80.32	413.01	10.66	-69.66
CC1(C(=O)[O-])CCCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013609029	0	58	0.0	-84.79	424.85	11.47	-73.32
COCCN(CCC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013609030	0	58	0.0	-60.94	444.70	10.02	-50.92
O=C([O-])CCC1CCCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013609031	0	61	0.0	-83.80	450.23	12.21	-71.59
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CC1CCC(C(=O)[O-])CN1C(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013609033	0	58	0.0	-63.33	423.92	11.33	-52.00
O=C([O-])C1(O)CCCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013609034	0	56	0.0	-81.20	419.50	8.32	-72.88
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O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013609036	0	58	0.0	-72.51	431.32	10.50	-62.01
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O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013609040	0	58	0.0	-76.51	435.22	10.05	-66.46
O=C([O-])C1CCCC(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013609041	0	58	0.0	-76.30	435.25	10.04	-66.26
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCCOC1	REAL300013609042	0	59	0.0	-68.06	437.72	8.62	-59.44
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCOC1	REAL300013609043	0	56	0.0	-67.13	422.52	7.59	-59.54
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O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013609045	0	52	0.0	-65.85	401.03	9.20	-56.65
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CC1(C(=O)[O-])CN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCO1	REAL300013609047	0	56	0.0	-84.61	417.74	9.99	-74.62
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COC1CC(C(=O)[O-])CN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013609049	0	59	0.0	-63.23	442.73	9.76	-53.47
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CC(CCC(=O)[O-])NC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013609052	0	54	0.0	-72.86	415.14	9.28	-63.58
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=CC(F)=C3)CCCCC2)CC1	REAL300013609084	1	58	0.0	-35.70	425.64	9.72	-25.98
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(F)C(F)=C2)CC1	REAL300013609245	1	42	0.0	-38.58	345.46	6.36	-32.22
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CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(C#N)C=C1	REAL300013609561	1	46	0.0	-43.69	371.45	7.50	-36.19
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1Cl	REAL300013609648	1	45	0.0	-37.84	369.74	7.62	-30.22
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O=C([O-])C1CN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CCO1	REAL300013609693	0	51	0.0	-82.04	378.42	5.64	-76.40
O=C([O-])C1CCC(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CC1	REAL300013609694	0	56	0.0	-73.98	407.46	6.93	-67.05
O=C([O-])CCCCNC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300013609695	0	52	0.0	-80.23	392.99	5.51	-74.72
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](CC3CCOC3)CC2)=CC=C1	REAL300013609696	0	53	0.0	-81.74	409.26	6.82	-74.92
O=C([O-])CCCCCNC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300013609697	0	55	0.0	-79.36	414.49	6.29	-73.07
CC(C)(CNC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013609698	0	52	0.0	-80.29	384.85	5.41	-74.88
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609699	0	53	0.0	-82.11	389.49	6.84	-75.27
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609700	0	56	0.0	-66.55	407.07	7.78	-58.77
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CC1	REAL300013609701	0	56	0.0	-78.79	398.88	7.49	-71.30
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300013609702	0	49	0.0	-75.52	371.49	4.73	-70.79
CC1CCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CC1C(=O)[O-]	REAL300013609703	0	56	0.0	-66.49	395.69	7.42	-59.07
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCOCC1	REAL300013609704	0	57	0.0	-69.01	412.40	4.68	-64.33
CC(C)(CCNC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013609705	0	55	0.0	-76.60	404.78	5.61	-70.99
CCC(CC)(CNC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013609706	0	58	0.0	-71.31	417.09	6.41	-64.90
CC(CNC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013609707	0	49	0.0	-78.67	368.54	4.69	-73.98
CC(C)C(CNC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013609708	0	55	0.0	-69.82	401.02	6.02	-63.80
CC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013609709	0	62	0.0	-81.44	444.72	7.33	-74.11
CC(CNC(=O)NC1CC[NH+](CC2CCOC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013609710	0	59	0.0	-70.21	436.46	8.25	-61.96
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609711	0	53	0.0	-75.07	393.18	6.07	-69.00
O=C([O-])CCC1CCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CC1	REAL300013609712	0	59	0.0	-80.58	426.12	8.63	-71.95
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[NH+](CC3CCOC3)CC1)C2	REAL300013609713	0	55	0.0	-79.06	403.21	5.34	-73.72
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCCC1	REAL300013609714	0	56	0.0	-69.20	409.95	6.78	-62.42
CC1CN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CCC1C(=O)[O-]	REAL300013609715	0	56	0.0	-76.78	398.50	7.93	-68.85
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCC1	REAL300013609716	0	53	0.0	-69.29	392.70	5.91	-63.38
O=C([O-])CC(CNC(=O)NC1CC[NH+](CC2CCOC2)CC1)C1CC1	REAL300013609717	0	56	0.0	-78.61	417.00	6.71	-71.90
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CC1	REAL300013609718	0	56	0.0	-78.79	398.88	7.49	-71.30
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC2CCOC2)CC1)CC(=O)[O-]	REAL300013609719	0	61	0.0	-76.01	438.01	7.15	-68.86
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300013609720	0	53	0.0	-75.40	402.88	6.93	-68.47
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609721	0	57	0.0	-83.77	423.20	6.03	-77.74
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609722	0	50	0.0	-76.36	376.41	5.26	-71.10
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O=C([O-])[C@@H]1CCCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609724	0	53	0.0	-66.68	386.05	7.18	-59.50
O=C([O-])[C@H]1CCCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609725	0	53	0.0	-67.22	385.91	7.16	-60.06
O=C([O-])C1CC(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609726	0	50	0.0	-76.40	376.79	5.26	-71.14
O=C([O-])[C@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609727	0	50	0.0	-78.05	376.44	5.34	-72.71
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](CC3CCOC3)CC2)=CC=C1	REAL300013609728	0	53	0.0	-81.74	409.26	6.82	-74.92
CCC(CNC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013609729	0	52	0.0	-68.85	385.48	5.50	-63.35
O=C([O-])CCC1CCCCN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300013609730	0	59	0.0	-83.00	419.27	8.59	-74.41
O=C([O-])CCCCCCCNC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300013609731	0	61	0.0	-81.23	457.49	7.85	-73.38
O=C([O-])CCCCCCNC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300013609732	0	58	0.0	-81.79	435.99	7.07	-74.72
CN(CCCC(=O)[O-])C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300013609733	0	52	0.0	-79.49	389.12	7.12	-72.37
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609734	0	56	0.0	-83.72	400.73	7.94	-75.78
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609735	0	60	0.0	-87.01	432.26	7.70	-79.31
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300013609736	0	56	0.0	-65.80	420.81	6.47	-59.33
O=C([O-])CCC1CCCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609737	0	59	0.0	-82.22	426.40	8.63	-73.59
O=C([O-])C1CN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CC2=CC=CC=C21	REAL300013609738	0	57	0.0	-83.14	418.49	9.93	-73.21
O=C([O-])C(=O)N1CCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CC1	REAL300013609739	0	54	0.0	-74.28	398.43	5.99	-68.29
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300013609740	0	56	0.0	-67.83	402.52	7.78	-60.05
O=C([O-])C1(O)CCCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609741	0	54	0.0	-80.84	395.50	4.72	-76.12
O=C([O-])C1CC(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C2=CC=CC=C21	REAL300013609742	0	57	0.0	-78.13	427.47	7.82	-70.31
O=C([O-])CN1CCCCC(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C1=O	REAL300013609743	0	60	0.0	-87.86	437.57	7.03	-80.83
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CC1	REAL300013609744	0	60	0.0	-83.53	430.74	6.61	-76.92
O=C([O-])C12CC(NC(=O)NC3CC[NH+](CC4CCOC4)CC3)(C1)C2	REAL300013609745	0	51	0.0	-81.04	386.71	5.51	-75.53
O=C([O-])CC1(CNC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCCCC1	REAL300013609746	0	62	0.0	-76.32	432.54	7.48	-68.84
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCOC3)CC2)CC1	REAL300013609747	0	56	0.0	-73.77	406.14	6.89	-66.88
O=C([O-])[C@H]1CC[C@H](CNC(=O)NC2CC[NH+](CC3CCOC3)CC2)CC1	REAL300013609748	0	59	0.0	-80.05	430.66	7.30	-72.75
O=C([O-])CC1CCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CC1	REAL300013609749	0	56	0.0	-80.23	403.80	7.85	-72.38
O=C([O-])COC1CCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CC1	REAL300013609750	0	57	0.0	-81.01	420.37	7.27	-73.74
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609751	0	56	0.0	-77.19	411.72	6.47	-70.72
O=C([O-])C1CCCC(NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609752	0	56	0.0	-74.89	407.46	6.93	-67.96
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCCOC1	REAL300013609753	0	57	0.0	-73.58	416.73	5.36	-68.22
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCOC1	REAL300013609754	0	54	0.0	-69.86	398.64	4.06	-65.80
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1CC[NH+](CC3CCOC3)CC1)C2	REAL300013609755	0	51	0.0	-75.68	387.10	6.04	-69.64
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CCOC3)CC2)CC1	REAL300013609756	0	50	0.0	-68.00	376.97	5.64	-62.36
O=C([O-])C1CN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CC12CCC2	REAL300013609757	0	57	0.0	-71.90	413.58	7.96	-63.94
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609758	0	53	0.0	-73.55	405.98	7.05	-66.50
CC1(C(=O)[O-])CN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)CCO1	REAL300013609759	0	54	0.0	-84.19	393.70	6.40	-77.79
O=C([O-])C1CN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609760	0	47	0.0	-72.27	357.55	5.47	-66.80
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609761	0	57	0.0	-68.68	417.11	6.27	-62.41
O=C([O-])C1CCN(C(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013609762	0	50	0.0	-79.10	372.63	6.29	-72.81
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1CC[NH+](CC3CCOC3)CC1)C2	REAL300013609763	0	51	0.0	-81.69	387.21	5.98	-75.71
CC(CCC(=O)[O-])NC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300013609764	0	52	0.0	-73.68	391.25	5.73	-67.95
CSCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013609804	1	45	0.0	-37.44	360.57	6.01	-31.43
COC(C1=CC=C(Cl)C=C1)C(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013609860	1	52	0.0	-35.81	417.25	7.97	-27.84
CCOC1=CC(CCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1OC	REAL300013609929	1	59	0.0	-41.14	456.76	7.95	-33.19
CCCCC(COC)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013609998	1	51	0.0	-34.46	389.56	5.72	-28.74
CC(CCC(C)(C)C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013610073	1	53	0.0	-35.05	390.83	7.45	-27.60
CSCCC(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013610141	1	45	0.0	-35.98	358.83	6.23	-29.75
N#CC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013610185	1	43	0.0	-43.32	354.00	6.66	-36.66
CN1CC[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013610221	0	53	0.0	-74.19	390.62	6.07	-68.12
C[NH+]1CCN(CCCCNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013610221	1	53	0.0	-73.91	391.02	6.20	-67.71
CN1CC[NH+](CCCCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013610222	0	53	0.0	-77.61	414.72	5.72	-71.89
C[NH+]1CCN(CCCCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013610222	1	53	0.0	-76.61	415.11	5.84	-70.77
CN1CC[NH+](CCCCNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013610223	0	51	0.0	-65.40	383.76	4.56	-60.84
C[NH+]1CCN(CCCCNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013610223	1	51	0.0	-67.00	384.16	4.67	-62.33
CN1CC[NH+](CCCCNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013610224	0	56	0.0	-70.24	412.93	5.85	-64.39
C[NH+]1CCN(CCCCNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013610224	1	56	0.0	-71.09	411.99	5.92	-65.17
CN1CC[NH+](CCCCNC(=O)NCCCCC(=O)[O-])CC1	REAL300013610225	0	52	0.0	-77.05	398.46	4.40	-72.65
C[NH+]1CCN(CCCCNC(=O)NCCCCC(=O)[O-])CC1	REAL300013610225	1	52	0.0	-75.99	398.85	4.52	-71.47
CN1CC[NH+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013610226	0	53	0.0	-77.73	414.73	5.71	-72.02
C[NH+]1CCN(CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013610226	1	53	0.0	-77.80	415.12	5.84	-71.96
CN1CC[NH+](CCCCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013610227	0	55	0.0	-75.87	419.96	5.18	-70.69
C[NH+]1CCN(CCCCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013610227	1	55	0.0	-74.92	420.35	5.30	-69.62
CN1CC[NH+](CCCCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013610228	0	52	0.0	-77.16	390.32	4.28	-72.88
C[NH+]1CCN(CCCCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013610228	1	52	0.0	-76.32	391.29	4.40	-71.92
CN1CC[NH+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013610229	0	53	0.0	-79.59	394.25	5.69	-73.90
C[NH+]1CCN(CCCCNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013610229	1	53	0.0	-78.79	395.36	5.86	-72.93
CC1CC(C(=O)[O-])CN(C(=O)NCCCC[NH+]2CCN(C)CC2)C1	REAL300013610230	0	56	0.0	-63.17	407.60	6.92	-56.25
CC1CC(C(=O)[O-])CN(C(=O)NCCCCN2CC[NH+](C)CC2)C1	REAL300013610230	1	56	0.0	-64.92	412.20	6.79	-58.13
CN1CC[NH+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013610231	0	56	0.0	-76.09	404.88	6.41	-69.68
C[NH+]1CCN(CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013610231	1	56	0.0	-75.77	404.66	6.51	-69.26
CN1CC[NH+](CCCCNC(=O)NCCCC(=O)[O-])CC1	REAL300013610232	0	49	0.0	-71.94	376.96	3.62	-68.32
C[NH+]1CCN(CCCCNC(=O)NCCCC(=O)[O-])CC1	REAL300013610232	1	49	0.0	-71.42	377.35	3.74	-67.68
CC1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1C(=O)[O-]	REAL300013610233	0	56	0.0	-64.50	410.49	6.63	-57.87
CC1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1C(=O)[O-]	REAL300013610233	1	56	0.0	-77.90	407.26	6.66	-71.24
CN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013610234	0	57	0.0	-67.69	417.05	3.79	-63.90
C[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013610234	1	57	0.0	-67.20	418.43	3.71	-63.49
CN1CC[NH+](CCCCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013610235	0	55	0.0	-72.86	409.67	4.49	-68.37
C[NH+]1CCN(CCCCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013610235	1	55	0.0	-72.13	410.64	4.63	-67.50
CCC(CC)(CNC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013610236	0	58	0.0	-66.54	419.90	5.63	-60.91
CCC(CC)(CNC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013610236	1	58	0.0	-69.98	422.95	5.42	-64.56
CC(CNC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013610237	0	49	0.0	-75.63	374.01	3.58	-72.05
CC(CNC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013610237	1	49	0.0	-74.52	373.52	3.69	-70.83
CC(C)C(CNC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013610238	0	55	0.0	-66.92	406.49	4.90	-62.02
CC(C)C(CNC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013610238	1	55	0.0	-70.39	413.14	4.89	-65.50
CC(NC(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013610239	0	62	0.0	-79.13	453.01	6.65	-72.48
CC(NC(=O)NCCCCN1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013610239	1	62	0.0	-78.23	450.18	6.30	-71.93
CN1CC[NH+](CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013610240	0	59	0.0	-69.19	445.83	6.94	-62.25
C[NH+]1CCN(CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013610240	1	59	0.0	-70.31	446.23	7.07	-63.24
CN1CC[NH+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013610241	0	53	0.0	-69.77	398.37	4.87	-64.90
C[NH+]1CCN(CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013610241	1	53	0.0	-69.84	398.77	4.99	-64.85
CN1CC[NH+](CCCCNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013610242	0	59	0.0	-75.54	431.47	7.56	-67.98
C[NH+]1CCN(CCCCNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013610242	1	59	0.0	-75.14	431.87	7.68	-67.46
CN1CC[NH+](CCCCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013610243	0	55	0.0	-73.91	408.35	4.37	-69.54
C[NH+]1CCN(CCCCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013610243	1	55	0.0	-72.65	408.74	4.49	-68.16
CN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013610244	0	56	0.0	-67.73	415.42	5.67	-62.06
C[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013610244	1	56	0.0	-69.66	415.81	5.78	-63.88
CC1CN(C(=O)NCCCC[NH+]2CCN(C)CC2)CCC1C(=O)[O-]	REAL300013610245	0	56	0.0	-73.86	404.13	6.82	-67.04
CC1CN(C(=O)NCCCCN2CC[NH+](C)CC2)CCC1C(=O)[O-]	REAL300013610245	1	56	0.0	-71.83	404.43	6.94	-64.89
CN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013610246	0	53	0.0	-65.92	398.35	4.82	-61.10
C[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013610246	1	53	0.0	-67.77	398.74	4.94	-62.83
CN1CC[NH+](CCCCNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013610247	0	56	0.0	-76.32	422.46	5.60	-70.72
C[NH+]1CCN(CCCCNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013610247	1	56	0.0	-75.72	422.86	5.72	-70.00
CN1CC[NH+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013610248	0	56	0.0	-76.09	404.88	6.41	-69.68
C[NH+]1CCN(CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013610248	1	56	0.0	-75.77	404.66	6.51	-69.26
CC(C)C[C@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)CC(=O)[O-]	REAL300013610249	0	61	0.0	-74.00	443.47	6.00	-68.00
CC(C)C[C@H](CNC(=O)NCCCCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013610249	1	61	0.0	-74.00	443.86	6.11	-67.89
CN1CC[NH+](CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013610250	0	53	0.0	-73.40	408.35	5.82	-67.58
C[NH+]1CCN(CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013610250	1	53	0.0	-75.94	408.73	5.94	-70.00
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)C1	REAL300013610251	0	57	0.0	-78.79	428.68	4.80	-73.99
COCC1(C(=O)[O-])CCN(C(=O)NCCCCN2CC[NH+](C)CC2)C1	REAL300013610251	1	57	0.0	-78.26	429.07	4.91	-73.35
CN1CC[NH+](CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013610252	0	50	0.0	-72.43	382.05	4.18	-68.25
C[NH+]1CCN(CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013610252	1	50	0.0	-72.17	382.81	4.30	-67.87
CN1CC[NH+](CCCCNC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013610253	0	58	0.0	-74.53	430.47	3.26	-71.27
CN1CC[NH+](CCCCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013610254	0	53	0.0	-62.53	390.90	6.07	-56.46
C[NH+]1CCN(CCCCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013610254	1	53	0.0	-64.73	391.30	6.19	-58.54
CN1CC[NH+](CCCCNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013610255	0	53	0.0	-64.08	392.14	6.14	-57.94
C[NH+]1CCN(CCCCNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013610255	1	53	0.0	-78.26	391.85	6.23	-72.03
CN1CC[NH+](CCCCNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013610256	0	50	0.0	-72.46	382.04	4.18	-68.28
C[NH+]1CCN(CCCCNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013610256	1	50	0.0	-73.47	382.29	4.35	-69.12
CN1CC[NH+](CCCCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013610257	0	50	0.0	-74.25	381.97	4.23	-70.02
C[NH+]1CCN(CCCCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013610257	1	50	0.0	-73.49	382.29	4.35	-69.14
CN1CC[NH+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013610258	0	53	0.0	-77.73	414.73	5.71	-72.02
C[NH+]1CCN(CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013610258	1	53	0.0	-77.80	415.12	5.84	-71.96
CCC(CNC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013610259	0	52	0.0	-66.65	391.04	4.50	-62.15
CCC(CNC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013610259	1	52	0.0	-68.18	391.43	4.63	-63.55
CN1CC[NH+](CCCCNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013610260	0	59	0.0	-82.21	424.82	7.49	-74.72
C[NH+]1CCN(CCCCNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013610260	1	59	0.0	-82.55	425.19	7.60	-74.95
CN1CC[NH+](CCCCNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013610261	0	61	0.0	-77.86	462.96	6.74	-71.12
C[NH+]1CCN(CCCCNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013610261	1	61	0.0	-76.56	463.35	6.86	-69.70
CN1CC[NH+](CCCCNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013610262	0	58	0.0	-78.59	441.46	5.96	-72.63
C[NH+]1CCN(CCCCNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013610262	1	58	0.0	-77.30	441.85	6.08	-71.22
CN(CCCC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300013610263	0	52	0.0	-77.15	394.59	6.01	-71.14
CN(CCCC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300013610263	1	52	0.0	-76.58	394.98	6.13	-70.45
CN1CC[NH+](CCCCNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013610264	0	56	0.0	-80.16	406.29	6.86	-73.30
C[NH+]1CCN(CCCCNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013610264	1	56	0.0	-78.66	406.68	6.98	-71.68
COCC1(C(=O)[O-])CCCN(C(=O)NCCCC[NH+]2CCN(C)CC2)C1	REAL300013610265	0	60	0.0	-83.36	437.82	6.63	-76.73
COCC1(C(=O)[O-])CCCN(C(=O)NCCCCN2CC[NH+](C)CC2)C1	REAL300013610265	1	60	0.0	-81.80	438.21	6.75	-75.05
COCCN(CCC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300013610266	0	56	0.0	-62.12	426.27	5.37	-56.75
COCCN(CCC(=O)[O-])C(=O)NCCCCN1CC[NH+](C)CC1	REAL300013610266	1	56	0.0	-65.16	426.67	5.48	-59.68
CN1CC[NH+](CCCCNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013610267	0	59	0.0	-79.47	431.78	7.54	-71.93
C[NH+]1CCN(CCCCNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013610267	1	59	0.0	-78.08	432.21	7.67	-70.41
CN1CC[NH+](CCCCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013610268	0	57	0.0	-80.54	424.80	8.61	-71.93
C[NH+]1CCN(CCCCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013610268	1	57	0.0	-82.41	424.45	8.97	-73.44
CN1CC[NH+](CCCCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013610269	0	54	0.0	-69.69	403.96	4.86	-64.83
C[NH+]1CCN(CCCCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013610269	1	54	0.0	-68.98	404.36	4.99	-63.99
CC1CCC(C(=O)[O-])CN1C(=O)NCCCC[NH+]1CCN(C)CC1	REAL300013610270	0	56	0.0	-63.92	408.07	6.71	-57.21
CC1CCC(C(=O)[O-])CN1C(=O)NCCCCN1CC[NH+](C)CC1	REAL300013610270	1	56	0.0	-64.72	407.08	6.81	-57.91
CN1CC[NH+](CCCCNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013610271	0	60	0.0	-68.60	454.12	8.71	-59.89
C[NH+]1CCN(CCCCNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013610271	1	60	0.0	-69.20	454.51	8.83	-60.37
CN1CC[NH+](CCCCNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013610272	0	54	0.0	-77.04	401.04	3.66	-73.38
C[NH+]1CCN(CCCCNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013610272	1	54	0.0	-76.00	401.43	3.78	-72.22
CN1CC[NH+](CCCCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013610273	0	57	0.0	-74.08	435.10	6.87	-67.21
C[NH+]1CCN(CCCCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013610273	1	57	0.0	-73.44	435.49	6.98	-66.46
CN1CC[NH+](CCCCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013610274	0	60	0.0	-86.96	443.04	5.94	-81.02
C[NH+]1CCN(CCCCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013610274	1	60	0.0	-90.09	443.43	6.06	-84.03
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1	REAL300013610275	0	60	0.0	-76.78	436.25	5.51	-71.27
COCC1(C(=O)[O-])CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1	REAL300013610275	1	60	0.0	-78.75	436.66	5.63	-73.12
CN1CC[NH+](CCCCNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013610276	0	51	0.0	-78.67	392.17	4.41	-74.26
C[NH+]1CCN(CCCCNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013610276	1	51	0.0	-77.32	392.56	4.53	-72.79
CN1CC[NH+](CCCCNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013610277	0	62	0.0	-69.28	438.08	6.40	-62.88
C[NH+]1CCN(CCCCNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013610277	1	62	0.0	-68.95	438.47	6.52	-62.43
CN1CC[NH+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013610278	0	56	0.0	-70.20	412.92	5.85	-64.35
C[NH+]1CCN(CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013610278	1	56	0.0	-70.47	413.31	5.97	-64.50
CN1CC[NH+](CCCCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013610279	0	59	0.0	-76.87	435.79	6.10	-70.77
C[NH+]1CCN(CCCCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013610279	1	59	0.0	-75.55	435.02	6.07	-69.48
CN1CC[NH+](CCCCNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013610280	0	56	0.0	-69.54	409.16	6.78	-62.76
C[NH+]1CCN(CCCCNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013610280	1	56	0.0	-69.61	409.55	6.90	-62.71
CN1CC[NH+](CCCCNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013610281	0	57	0.0	-77.90	425.70	6.16	-71.74
C[NH+]1CCN(CCCCNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013610281	1	57	0.0	-77.25	426.09	6.29	-70.96
CN1CC[NH+](CCCCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013610282	0	56	0.0	-73.57	417.36	5.41	-68.16
C[NH+]1CCN(CCCCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013610282	1	56	0.0	-73.22	417.75	5.53	-67.69
CN1CC[NH+](CCCCNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013610283	0	56	0.0	-73.31	416.83	5.40	-67.91
C[NH+]1CCN(CCCCNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013610283	1	56	0.0	-70.66	413.32	5.95	-64.71
CN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013610284	0	57	0.0	-70.89	422.17	4.26	-66.63
C[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013610284	1	57	0.0	-71.68	422.56	4.37	-67.31
CN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013610285	0	54	0.0	-66.94	404.11	2.95	-63.99
C[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013610285	1	54	0.0	-67.69	404.50	3.07	-64.62
CN1CC[NH+](CCCCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013610286	0	51	0.0	-73.17	393.91	4.90	-68.27
C[NH+]1CCN(CCCCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013610286	1	51	0.0	-73.48	393.98	5.03	-68.45
CN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013610287	0	50	0.0	-64.06	382.25	4.45	-59.61
C[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013610287	1	50	0.0	-65.97	382.64	4.57	-61.40
CN1CC[NH+](CCCCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013610288	0	57	0.0	-68.25	420.44	6.93	-61.32
C[NH+]1CCN(CCCCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013610288	1	57	0.0	-67.86	419.61	6.99	-60.87
CN1CC[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013610289	0	53	0.0	-74.21	410.88	5.98	-68.23
C[NH+]1CCN(CCCCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013610289	1	53	0.0	-69.48	411.29	6.07	-63.41
CN1CC[NH+](CCCCNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013610290	0	54	0.0	-80.21	399.33	5.34	-74.87
C[NH+]1CCN(CCCCNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013610290	1	54	0.0	-78.63	399.72	5.46	-73.17
COC1CC(C(=O)[O-])CN(C(=O)NCCCC[NH+]2CCN(C)CC2)C1	REAL300013610291	0	57	0.0	-65.15	422.51	5.18	-59.97
COC1CC(C(=O)[O-])CN(C(=O)NCCCCN2CC[NH+](C)CC2)C1	REAL300013610291	1	57	0.0	-66.95	422.90	5.30	-61.65
CN1CC[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013610292	0	50	0.0	-75.56	378.09	5.20	-70.36
C[NH+]1CCN(CCCCNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013610292	1	50	0.0	-74.32	378.48	5.31	-69.01
CN1CC[NH+](CCCCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013610293	0	51	0.0	-78.50	392.85	4.93	-73.57
C[NH+]1CCN(CCCCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013610293	1	51	0.0	-77.05	393.24	5.04	-72.01
CC(CCC(=O)[O-])NC(=O)NCCCC[NH+]1CCN(C)CC1	REAL300013610294	0	52	0.0	-70.38	396.72	4.63	-65.75
CC(CCC(=O)[O-])NC(=O)NCCCCN1CC[NH+](C)CC1	REAL300013610294	1	52	0.0	-70.65	397.11	4.75	-65.90
O=C([O-])C[NH+]1CCC(NC(=O)NCC(=O)N2CCCC2)CC1	REAL300013610323	1	46	0.0	-38.20	356.29	4.14	-34.06
CC(=O)N1CCN(C(=O)CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013610381	1	56	0.0	-53.80	426.29	4.39	-49.41
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013610419	0	51	0.0	-68.75	358.93	7.96	-60.79
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013610419	1	51	0.0	-69.52	367.47	8.24	-61.28
CCC1CCCC[N@@H+]1CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013610420	0	51	0.0	-73.45	383.03	7.60	-65.85
CCC1CCCC[N@H+]1CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013610420	1	51	0.0	-74.14	390.11	7.82	-66.32
CCC1CCCC[N@@H+]1CCNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013610421	0	49	0.0	-59.17	358.59	6.61	-52.56
CCC1CCCC[N@H+]1CCNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013610421	1	49	0.0	-74.58	359.16	6.66	-67.92
CCC1CCCC[N@@H+]1CCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013610422	0	54	0.0	-65.13	380.41	7.58	-57.55
CCC1CCCC[N@H+]1CCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013610422	1	54	0.0	-64.60	386.99	7.90	-56.70
CCC1CCCC[N@@H+]1CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013610423	0	51	0.0	-73.72	383.54	7.49	-66.23
CCC1CCCC[N@H+]1CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013610423	1	51	0.0	-73.26	390.12	7.81	-65.45
CCC1CCCC[N@@H+]1CCNC(=O)NCCCCCC(=O)[O-]	REAL300013610424	0	53	0.0	-71.88	388.76	6.97	-64.91
CCC1CCCC[N@H+]1CCNC(=O)NCCCCCC(=O)[O-]	REAL300013610424	1	53	0.0	-71.34	395.35	7.28	-64.06
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013610425	0	61	0.0	-69.32	431.52	11.06	-58.26
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013610425	1	61	0.0	-76.39	444.11	11.69	-64.70
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013610426	0	51	0.0	-70.26	370.37	7.86	-62.40
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013610426	1	51	0.0	-72.45	370.70	7.77	-64.68
CCC1CCCC[N@@H+]1CCNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013610427	0	54	0.0	-56.19	382.57	9.01	-47.18
CCC1CCCC[N@H+]1CCNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013610427	1	54	0.0	-56.74	383.61	9.06	-47.68
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013610428	0	54	0.0	-70.24	372.89	8.13	-62.11
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013610428	1	54	0.0	-71.18	379.42	8.43	-62.75
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013610429	0	54	0.0	-55.66	376.13	8.41	-47.25
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013610429	1	54	0.0	-55.72	376.57	8.43	-47.29
CCC1CCCC[N@@H+]1CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013610430	0	55	0.0	-60.85	385.85	5.56	-55.29
CCC1CCCC[N@H+]1CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013610430	1	55	0.0	-60.34	392.43	5.88	-54.46
CCC1CCCC[N@@H+]1CCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013610431	0	53	0.0	-68.55	379.05	6.29	-62.26
CCC1CCCC[N@H+]1CCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013610431	1	53	0.0	-68.06	385.05	6.60	-61.46
CCC1CCCC[N@@H+]1CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013610432	0	56	0.0	-58.23	386.65	7.25	-50.98
CCC1CCCC[N@H+]1CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013610432	1	56	0.0	-60.52	397.94	7.40	-53.12
CCC1CCCC[N@@H+]1CCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013610433	0	53	0.0	-58.06	375.40	6.62	-51.44
CCC1CCCC[N@H+]1CCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013610433	1	53	0.0	-61.34	388.14	6.87	-54.47
CCC1CCCC[N@@H+]1CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013610434	0	60	0.0	-71.61	427.30	8.54	-63.07
CCC1CCCC[N@H+]1CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013610434	1	60	0.0	-74.52	428.79	8.78	-65.74
CCC1CCCC[N@@H+]1CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013610435	0	57	0.0	-61.96	414.65	8.73	-53.23
CCC1CCCC[N@H+]1CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013610435	1	57	0.0	-59.36	417.31	9.24	-50.12
CCC1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013610436	0	51	0.0	-64.53	373.36	6.95	-57.58
CCC1CCCC[N@H+]1CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013610436	1	51	0.0	-66.66	366.70	6.77	-59.89
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013610437	0	57	0.0	-70.63	399.78	9.43	-61.20
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013610437	1	57	0.0	-72.98	406.34	9.62	-63.36
CCC1CCCC[N@@H+]1CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013610438	0	53	0.0	-68.93	383.21	6.43	-62.50
CCC1CCCC[N@H+]1CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013610438	1	53	0.0	-69.54	383.52	6.47	-63.07
CCC1CCCC[N@@H+]1CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013610439	0	54	0.0	-60.62	384.28	7.44	-53.18
CCC1CCCC[N@H+]1CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013610439	1	54	0.0	-60.15	390.86	7.76	-52.39
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013610440	0	54	0.0	-69.71	380.72	8.97	-60.74
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013610440	1	54	0.0	-69.99	385.82	8.73	-61.26
CCC1CCCC[N@@H+]1CCNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013610441	0	51	0.0	-58.38	365.97	6.76	-51.62
CCC1CCCC[N@H+]1CCNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013610441	1	51	0.0	-57.78	372.55	7.08	-50.70
CCC1CCCC[N@@H+]1CCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013610442	0	54	0.0	-67.84	382.98	8.14	-59.70
CCC1CCCC[N@H+]1CCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013610442	1	54	0.0	-69.57	397.83	7.70	-61.87
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013610443	0	54	0.0	-70.24	372.89	8.13	-62.11
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013610443	1	54	0.0	-71.18	379.42	8.43	-62.75
CCC1CCCC[N@@H+]1CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013610444	0	59	0.0	-64.81	417.20	7.95	-56.86
CCC1CCCC[N@H+]1CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013610444	1	59	0.0	-66.49	418.95	8.14	-58.35
CCC1CCCC[N@@H+]1CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013610445	0	51	0.0	-64.42	376.65	7.70	-56.72
CCC1CCCC[N@H+]1CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013610445	1	51	0.0	-64.66	383.73	7.93	-56.73
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013610446	0	55	0.0	-74.72	395.00	7.35	-67.37
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013610446	1	55	0.0	-73.17	403.47	6.97	-66.20
CCC1CCCC[N@@H+]1CCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013610447	0	56	0.0	-70.77	399.17	5.02	-65.75
CCC1CCCC[N@H+]1CCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013610447	1	56	0.0	-70.20	405.84	5.38	-64.82
CCC1CCCC[N@@H+]1CCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013610448	0	61	0.0	-67.83	438.32	9.23	-58.60
CCC1CCCC[N@H+]1CCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013610448	1	61	0.0	-69.78	445.03	9.56	-60.22
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013610449	0	51	0.0	-56.25	359.25	7.94	-48.31
CCC1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013610449	1	51	0.0	-56.10	359.23	7.94	-48.16
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013610450	0	51	0.0	-56.92	359.77	7.96	-48.96
CCC1CCCC[N@H+]1CCNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013610450	1	51	0.0	-56.57	366.77	8.19	-48.38
CCC1CCCC[N@@H+]1CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013610451	0	51	0.0	-73.72	383.54	7.49	-66.23
CCC1CCCC[N@H+]1CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013610451	1	51	0.0	-73.26	390.12	7.81	-65.45
CCC1CCCC[N@@H+]1CCNC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013610452	0	61	0.0	-69.36	442.84	9.31	-60.05
CCC1CCCC[N@H+]1CCNC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013610452	1	61	0.0	-58.56	449.61	9.66	-48.90
CCC1CCCC[N@@H+]1CCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013610453	0	57	0.0	-75.31	393.91	9.28	-66.03
CCC1CCCC[N@H+]1CCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013610453	1	57	0.0	-74.88	400.18	9.57	-65.31
CCC1CCCC[N@@H+]1CCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013610454	0	59	0.0	-74.06	431.76	8.53	-65.53
CCC1CCCC[N@H+]1CCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013610454	1	59	0.0	-73.44	438.35	8.84	-64.60
CCC1CCCC[N@@H+]1CCNC(=O)NCCCCCCC(=O)[O-]	REAL300013610455	0	56	0.0	-74.69	410.26	7.75	-66.94
CCC1CCCC[N@H+]1CCNC(=O)NCCCCCCC(=O)[O-]	REAL300013610455	1	56	0.0	-74.13	416.85	8.06	-66.07
CCC1CCCC[N@@H+]1CCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013610456	0	54	0.0	-75.58	381.83	8.90	-66.68
CCC1CCCC[N@H+]1CCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013610456	1	54	0.0	-75.45	382.09	8.94	-66.51
CCC1CCCC[N@@H+]1CCNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013610457	0	58	0.0	-79.56	413.65	8.09	-71.47
CCC1CCCC[N@H+]1CCNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013610457	1	58	0.0	-79.02	412.83	8.70	-70.32
CCC1CCCC[N@@H+]1CCNC(=O)N(CCOC)CCC(=O)[O-]	REAL300013610458	0	54	0.0	-55.26	395.08	7.14	-48.12
CCC1CCCC[N@H+]1CCNC(=O)N(CCOC)CCC(=O)[O-]	REAL300013610458	1	54	0.0	-54.70	401.67	7.47	-47.23
CCC1CCCC[N@@H+]1CCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013610459	0	57	0.0	-74.64	406.67	9.60	-65.04
CCC1CCCC[N@H+]1CCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013610459	1	57	0.0	-74.63	407.17	9.63	-65.00
CCC1CCCC[N@@H+]1CCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013610460	0	55	0.0	-80.56	402.06	10.20	-70.36
CCC1CCCC[N@H+]1CCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013610460	1	55	0.0	-81.24	402.64	10.24	-71.00
CCC1CCCC[N@@H+]1CCNC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013610461	0	62	0.0	-67.08	442.26	8.13	-58.95
CCC1CCCC[N@H+]1CCNC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013610461	1	62	0.0	-67.52	451.25	8.34	-59.18
CCC1CCCC[N@@H+]1CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013610462	0	52	0.0	-67.56	371.87	6.65	-60.91
CCC1CCCC[N@H+]1CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013610462	1	52	0.0	-65.76	378.77	6.92	-58.84
CCC1CCCC[N@@H+]1CCNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013610463	0	54	0.0	-56.41	375.21	8.53	-47.88
CCC1CCCC[N@H+]1CCNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013610463	1	54	0.0	-56.13	382.00	8.79	-47.34
CCC1CCCC[N@@H+]1CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013610464	0	58	0.0	-60.65	421.29	10.43	-50.22
CCC1CCCC[N@H+]1CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013610464	1	58	0.0	-60.18	420.81	10.41	-49.77
CCC1CCCC[N@@H+]1CCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013610465	0	52	0.0	-72.32	369.85	5.43	-66.89
CCC1CCCC[N@H+]1CCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013610465	1	52	0.0	-72.23	376.44	5.78	-66.45
CCC1CCCC[N@@H+]1CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013610466	0	55	0.0	-70.49	404.21	8.65	-61.84
CCC1CCCC[N@H+]1CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013610466	1	55	0.0	-69.52	408.31	8.83	-60.69
CCC1CCCC[N@@H+]1CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013610467	0	58	0.0	-79.24	411.50	7.69	-71.55
CCC1CCCC[N@H+]1CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013610467	1	58	0.0	-78.67	418.05	8.00	-70.67
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013610468	0	58	0.0	-72.74	403.37	8.16	-64.58
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013610468	1	58	0.0	-73.34	411.63	7.63	-65.71
CCC1CCCC[N@@H+]1CCNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013610469	0	49	0.0	-74.94	360.76	6.20	-68.74
CCC1CCCC[N@H+]1CCNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013610469	1	49	0.0	-73.02	360.51	6.28	-66.74
CCC1CCCC[N@@H+]1CCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013610470	0	60	0.0	-65.50	407.04	8.16	-57.34
CCC1CCCC[N@H+]1CCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013610470	1	60	0.0	-64.75	413.57	8.48	-56.27
CCC1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013610471	0	54	0.0	-64.71	387.88	7.93	-56.78
CCC1CCCC[N@H+]1CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013610471	1	54	0.0	-65.24	381.34	7.60	-57.64
CCC1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013610472	0	57	0.0	-74.15	405.92	7.92	-66.23
CCC1CCCC[N@H+]1CCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013610472	1	57	0.0	-72.09	404.14	7.98	-64.11
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013610473	0	54	0.0	-64.22	377.47	8.66	-55.56
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013610473	1	54	0.0	-72.29	384.02	8.84	-63.45
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013610474	0	55	0.0	-72.53	394.07	8.08	-64.45
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013610474	1	55	0.0	-73.71	401.07	8.27	-65.44
CCC1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013610475	0	54	0.0	-68.14	385.70	7.29	-60.85
CCC1CCCC[N@H+]1CCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013610475	1	54	0.0	-67.83	385.17	7.28	-60.55
CCC1CCCC[N@@H+]1CCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013610476	0	54	0.0	-65.53	380.70	7.70	-57.83
CCC1CCCC[N@H+]1CCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013610476	1	54	0.0	-68.06	391.43	7.48	-60.58
CCC1CCCC[N@@H+]1CCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013610477	0	55	0.0	-57.26	386.68	5.65	-51.61
CCC1CCCC[N@H+]1CCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013610477	1	55	0.0	-56.72	393.26	5.97	-50.75
CCC1CCCC[N@@H+]1CCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013610478	0	52	0.0	-59.66	373.28	4.93	-54.73
CCC1CCCC[N@H+]1CCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013610478	1	52	0.0	-61.01	382.20	5.21	-55.80
CCC1CCCC[N@@H+]1CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013610479	0	63	0.0	-72.82	458.24	9.98	-62.84
CCC1CCCC[N@H+]1CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013610479	1	63	0.0	-73.60	465.32	10.19	-63.41
CCC1CCCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013610480	0	49	0.0	-67.89	368.84	6.98	-60.91
CCC1CCCC[N@H+]1CCNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013610480	1	49	0.0	-68.07	369.30	6.99	-61.08
CCC1CCCC[N@@H+]1CCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013610481	0	55	0.0	-62.68	395.40	9.00	-53.68
CCC1CCCC[N@H+]1CCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013610481	1	55	0.0	-60.06	392.46	8.92	-51.14
CCC1CCCC[N@@H+]1CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013610482	0	51	0.0	-62.52	385.97	7.97	-54.55
CCC1CCCC[N@H+]1CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013610482	1	51	0.0	-67.19	385.67	8.08	-59.11
CCC1CCCC[N@@H+]1CCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013610483	0	52	0.0	-76.35	368.08	7.11	-69.24
CCC1CCCC[N@H+]1CCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013610483	1	52	0.0	-75.72	374.60	7.44	-68.28
CCC1CCCC[N@@H+]1CCNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013610484	0	55	0.0	-59.05	392.03	7.00	-52.05
CCC1CCCC[N@H+]1CCNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013610484	1	55	0.0	-57.22	399.06	7.18	-50.04
CCC1CCCC[N@@H+]1CCNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013610485	0	49	0.0	-74.73	361.98	6.70	-68.03
CCC1CCCC[N@H+]1CCNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013610485	1	49	0.0	-74.09	368.23	7.01	-67.08
COCC1=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1F	REAL300013610516	1	49	0.0	-36.61	391.53	6.18	-30.43
O=C([O-])C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C2CC2)CC1	REAL300013610589	1	52	0.0	-36.29	394.91	9.83	-26.46
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NNC=C2Br)CC1	REAL300013610717	1	39	0.0	-37.89	333.51	3.20	-34.69
CCC1=NNC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013610771	1	45	0.0	-37.78	356.40	3.95	-33.83
CCC1=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=NN1	REAL300013610771	1	45	0.0	-37.37	356.46	3.94	-33.43
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCC2CC2=CC=CC=C2)CC1	REAL300013610845	1	55	0.0	-36.13	417.78	9.74	-26.39
COC(=O)NC1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013610921	1	53	0.0	-46.24	421.45	5.23	-41.01
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300013611004	1	44	0.0	-41.96	361.36	6.94	-35.02
CC1=NN(C)C=C1C(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013611064	1	48	0.0	-40.57	374.38	5.42	-35.15
CC(NC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C)CC1	REAL300013611100	0	48	0.0	-78.85	368.42	7.34	-71.51
CC(NC(=O)NC1CCC(C(=O)[O-])CC1)C1CC[NH+](C)CC1	REAL300013611101	0	51	0.0	-79.80	376.92	7.27	-72.53
CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CC[NH+](C)CC1	REAL300013611102	0	48	0.0	-79.57	368.43	7.33	-72.24
CC(NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C1CC[NH+](C)CC1	REAL300013611103	0	58	0.0	-82.41	420.51	11.13	-71.28
CC(NC(=O)N1CC(C)CC(C(=O)[O-])C1)C1CC[NH+](C)CC1	REAL300013611104	0	51	0.0	-61.07	366.64	8.76	-52.31
CC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)C1CC[NH+](C)CC1	REAL300013611105	0	51	0.0	-78.54	364.45	8.27	-70.27
CC(NC(=O)N1CCC(C)C(C(=O)[O-])C1)C1CC[NH+](C)CC1	REAL300013611106	0	51	0.0	-61.90	366.34	8.41	-53.49
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1CC[NH+](C)CC1	REAL300013611107	0	52	0.0	-65.51	376.60	5.67	-59.84
CCC(CC)(CNC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013611108	0	53	0.0	-66.21	382.11	7.18	-59.03
CC(NC(=O)NC(C)C1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013611109	0	57	0.0	-77.92	412.58	8.52	-69.40
CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300013611110	0	54	0.0	-68.27	395.39	8.67	-59.60
CC(NC(=O)N1CCC(CCC(=O)[O-])CC1)C1CC[NH+](C)CC1	REAL300013611111	0	54	0.0	-77.63	385.17	9.15	-68.48
CC(NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1CC[NH+](C)CC1	REAL300013611112	0	50	0.0	-75.87	367.76	6.25	-69.62
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1CC[NH+](C)CC1	REAL300013611113	0	51	0.0	-65.53	374.98	7.55	-57.98
CC(NC(=O)N1CCC(C(=O)[O-])C(C)C1)C1CC[NH+](C)CC1	REAL300013611114	0	51	0.0	-75.61	363.61	8.68	-66.93
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C1CC[NH+](C)CC1	REAL300013611115	0	51	0.0	-79.31	376.16	7.22	-72.09
CC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)C1CC[NH+](C)CC1	REAL300013611116	0	51	0.0	-78.54	364.45	8.27	-70.27
CC(C)C[C@H](CNC(=O)NC(C)C1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013611117	0	56	0.0	-77.01	403.04	7.92	-69.09
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[NH+](C)CC1	REAL300013611118	0	48	0.0	-70.32	367.89	7.71	-62.61
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C2CC[NH+](C)CC2)C1	REAL300013611119	0	52	0.0	-80.13	388.40	6.83	-73.30
CC(NC(=O)NC1CCN(CC(=O)[O-])CC1)C1CC[NH+](C)CC1	REAL300013611120	0	53	0.0	-75.94	389.57	5.08	-70.86
CC(NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)C1CC[NH+](C)CC1	REAL300013611121	0	58	0.0	-67.18	433.60	9.24	-57.94
CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CC[NH+](C)CC1	REAL300013611122	0	48	0.0	-79.57	368.43	7.33	-72.24
COC(=O)C1CC2(C1)CN(C(=O)NC(C)C1CC[NH+](C)CC1)CC2C(=O)[O-]	REAL300013611123	0	58	0.0	-71.33	434.83	9.47	-61.86
CC(NC(=O)N1CCCCC1CCC(=O)[O-])C1CC[NH+](C)CC1	REAL300013611124	0	54	0.0	-86.86	378.39	9.06	-77.80
CC(NC(=O)NCCCCCCCC(=O)[O-])C1CC[NH+](C)CC1	REAL300013611125	0	56	0.0	-77.89	422.52	8.62	-69.27
CC(NC(=O)NCCCCCCC(=O)[O-])C1CC[NH+](C)CC1	REAL300013611126	0	53	0.0	-78.85	401.02	7.84	-71.01
CC(NC(=O)N1CCCC(C)(C(=O)[O-])C1)C1CC[NH+](C)CC1	REAL300013611127	0	51	0.0	-81.65	365.93	8.69	-72.96
COCC1(C(=O)[O-])CCCN(C(=O)NC(C)C2CC[NH+](C)CC2)C1	REAL300013611128	0	55	0.0	-87.24	391.45	8.23	-79.01
COCCN(CCC(=O)[O-])C(=O)NC(C)C1CC[NH+](C)CC1	REAL300013611129	0	51	0.0	-60.11	385.84	7.24	-52.87
CC(NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C1CC[NH+](C)CC1	REAL300013611130	0	57	0.0	-80.50	425.61	9.57	-70.93
CC(NC(=O)N1CCCC(CCC(=O)[O-])C1)C1CC[NH+](C)CC1	REAL300013611131	0	54	0.0	-80.76	391.31	9.43	-71.33
CC(NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1CC[NH+](C)CC1	REAL300013611132	0	52	0.0	-86.90	377.70	10.45	-76.45
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC(C)C2CC[NH+](C)CC2)CCO1	REAL300013611133	0	59	0.0	-70.15	439.15	8.61	-61.54
CC(NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1CC[NH+](C)CC1	REAL300013611134	0	49	0.0	-73.79	363.43	6.73	-67.06
CC(NC(=O)N1CC(C(=O)[O-])CCC1C)C1CC[NH+](C)CC1	REAL300013611135	0	51	0.0	-63.86	361.71	8.30	-55.56
CC(NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1CC[NH+](C)CC1	REAL300013611136	0	55	0.0	-68.25	413.71	10.56	-57.69
CC(NC(=O)N1CCCC(O)(C(=O)[O-])C1)C1CC[NH+](C)CC1	REAL300013611137	0	49	0.0	-78.71	360.57	5.54	-73.17
CC(NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1CC[NH+](C)CC1	REAL300013611138	0	52	0.0	-75.68	388.80	8.47	-67.21
CC(NC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1CC[NH+](C)CC1	REAL300013611139	0	55	0.0	-93.40	396.74	7.54	-85.86
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C2CC[NH+](C)CC2)CC1	REAL300013611140	0	55	0.0	-81.21	395.10	8.01	-73.20
CC(NC(=O)NCC1(CC(=O)[O-])CCCCC1)C1CC[NH+](C)CC1	REAL300013611141	0	57	0.0	-75.72	392.07	7.99	-67.73
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1CC[NH+](C)CC1	REAL300013611142	0	51	0.0	-71.51	372.50	7.71	-63.80
CC(NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1CC[NH+](C)CC1	REAL300013611143	0	54	0.0	-79.22	390.85	7.74	-71.48
CC(NC(=O)N1CCC(CC(=O)[O-])CC1)C1CC[NH+](C)CC1	REAL300013611144	0	51	0.0	-70.71	362.86	8.37	-62.34
CC(NC(=O)N1CCC(OCC(=O)[O-])CC1)C1CC[NH+](C)CC1	REAL300013611145	0	52	0.0	-80.22	379.34	7.75	-72.47
CC(NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1CC[NH+](C)CC1	REAL300013611146	0	51	0.0	-72.47	376.39	7.26	-65.21
CC(NC(=O)NC1CCCC(C(=O)[O-])C1)C1CC[NH+](C)CC1	REAL300013611147	0	51	0.0	-72.07	366.62	7.43	-64.64
CC(NC(=O)NCC1(C(=O)[O-])CCCOC1)C1CC[NH+](C)CC1	REAL300013611148	0	52	0.0	-72.40	381.73	6.14	-66.26
CC(NC(=O)NCC1(C(=O)[O-])CCOC1)C1CC[NH+](C)CC1	REAL300013611149	0	49	0.0	-68.48	363.66	4.83	-63.65
CC(NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C1CC[NH+](C)CC1	REAL300013611150	0	60	0.0	-78.56	443.69	9.72	-68.84
CC(NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1CC[NH+](C)CC1	REAL300013611151	0	52	0.0	-66.85	378.78	8.77	-58.08
CC(NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1CC[NH+](C)CC1	REAL300013611152	0	48	0.0	-72.63	365.15	7.54	-65.09
CC(NC(=O)N1CCOC(C)(C(=O)[O-])C1)C1CC[NH+](C)CC1	REAL300013611153	0	49	0.0	-81.67	358.82	7.21	-74.46
COC1CC(C(=O)[O-])CN(C(=O)NC(C)C2CC[NH+](C)CC2)C1	REAL300013611154	0	52	0.0	-65.51	382.07	7.05	-58.46
CC(NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C1CC[NH+](C)CC1	REAL300013611155	0	57	0.0	-86.75	429.53	6.52	-80.23
CC(CC1=CC=CS1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013611176	1	45	0.0	-40.32	364.73	7.01	-33.31
O=C([O-])C1=CC=C(CNC(=O)NC2CC[N@H+](CC3CC3)C2)C=C1	REAL300013611212	0	46	0.0	-77.25	369.59	7.56	-69.69
O=C([O-])C1=CC=C(CNC(=O)NC2CC[N@@H+](CC3CC3)C2)C=C1	REAL300013611212	1	46	0.0	-77.49	369.06	7.57	-69.92
O=C([O-])C1CCC(NC(=O)NC2CC[N@H+](CC3CC3)C2)CC1	REAL300013611213	0	49	0.0	-79.13	373.17	7.40	-71.73
O=C([O-])C1CCC(NC(=O)NC2CC[N@@H+](CC3CC3)C2)CC1	REAL300013611213	1	49	0.0	-78.61	371.86	7.31	-71.30
O=C([O-])C1=CC(CNC(=O)NC2CC[N@H+](CC3CC3)C2)=CC=C1	REAL300013611214	0	46	0.0	-76.89	370.54	7.70	-69.19
O=C([O-])C1=CC(CNC(=O)NC2CC[N@@H+](CC3CC3)C2)=CC=C1	REAL300013611214	1	46	0.0	-76.49	369.22	7.63	-68.86
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NC2CC[N@H+](CC3CC3)C2)CC1	REAL300013611215	0	56	0.0	-75.84	419.03	11.18	-64.66
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NC2CC[N@@H+](CC3CC3)C2)CC1	REAL300013611215	1	56	0.0	-79.93	423.34	11.50	-68.43
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+](CC3CC3)C2)C1	REAL300013611216	0	49	0.0	-60.34	368.79	8.69	-51.65
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+](CC3CC3)C2)C1	REAL300013611216	1	49	0.0	-58.88	366.18	8.54	-50.34
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CC3CC3)C2)CC1	REAL300013611217	0	49	0.0	-72.76	359.09	8.17	-64.59
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CC3CC3)C2)CC1	REAL300013611217	1	49	0.0	-74.80	358.69	8.29	-66.51
CC1CCN(C(=O)NC2CC[N@H+](CC3CC3)C2)CC1C(=O)[O-]	REAL300013611218	0	49	0.0	-60.02	357.82	8.23	-51.79
CC1CCN(C(=O)NC2CC[N@@H+](CC3CC3)C2)CC1C(=O)[O-]	REAL300013611218	1	49	0.0	-80.71	356.33	8.23	-72.48
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CC3CC3)C2)CCOCC1	REAL300013611219	0	50	0.0	-63.17	374.36	5.43	-57.74
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3CC3)C2)CCOCC1	REAL300013611219	1	50	0.0	-64.22	371.87	5.74	-58.48
CCC(CC)(CNC(=O)NC1CC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300013611220	0	51	0.0	-63.20	376.31	7.62	-55.58
CCC(CC)(CNC(=O)NC1CC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300013611220	1	51	0.0	-64.71	376.87	7.25	-57.46
CC(NC(=O)NC1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013611221	0	55	0.0	-78.94	409.21	8.66	-70.28
CC(NC(=O)NC1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013611221	1	55	0.0	-77.28	403.81	8.09	-69.19
CC(CNC(=O)NC1CC[N@H+](CC2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013611222	0	52	0.0	-65.19	401.65	8.93	-56.26
CC(CNC(=O)NC1CC[N@@H+](CC2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013611222	1	52	0.0	-62.23	395.28	9.14	-53.09
O=C([O-])CCC1CCN(C(=O)NC2CC[N@H+](CC3CC3)C2)CC1	REAL300013611223	0	52	0.0	-77.05	387.37	9.49	-67.56
O=C([O-])CCC1CCN(C(=O)NC2CC[N@@H+](CC3CC3)C2)CC1	REAL300013611223	1	52	0.0	-76.52	385.98	9.42	-67.10
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[N@H+](CC3CC3)C1)C2	REAL300013611224	0	48	0.0	-74.33	362.60	6.27	-68.06
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[N@@H+](CC3CC3)C1)C2	REAL300013611224	1	48	0.0	-74.60	363.25	6.19	-68.41
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CC3CC3)C2)CCCC1	REAL300013611225	0	49	0.0	-63.54	371.23	7.65	-55.89
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3CC3)C2)CCCC1	REAL300013611225	1	49	0.0	-63.82	370.25	7.63	-56.19
CC1CN(C(=O)NC2CC[N@H+](CC3CC3)C2)CCC1C(=O)[O-]	REAL300013611226	0	49	0.0	-74.13	361.86	8.37	-65.76
CC1CN(C(=O)NC2CC[N@@H+](CC3CC3)C2)CCC1C(=O)[O-]	REAL300013611226	1	49	0.0	-70.88	360.55	8.48	-62.40
O=C([O-])CC(CNC(=O)NC1CC[N@H+](CC2CC2)C1)C1CC1	REAL300013611227	0	49	0.0	-74.03	377.83	7.52	-66.51
O=C([O-])CC(CNC(=O)NC1CC[N@@H+](CC2CC2)C1)C1CC1	REAL300013611227	1	49	0.0	-73.78	377.31	7.57	-66.21
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CC3CC3)C2)CC1	REAL300013611228	0	49	0.0	-72.76	359.09	8.17	-64.59
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CC3CC3)C2)CC1	REAL300013611228	1	49	0.0	-74.80	358.69	8.29	-66.51
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](CC2CC2)C1)CC(=O)[O-]	REAL300013611229	0	54	0.0	-70.73	399.40	8.00	-62.73
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](CC2CC2)C1)CC(=O)[O-]	REAL300013611229	1	54	0.0	-70.95	397.81	7.86	-63.09
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@H+](CC2CC2)C1	REAL300013611230	0	46	0.0	-68.39	364.14	7.82	-60.57
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300013611230	1	46	0.0	-68.81	363.17	7.78	-61.03
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CC3CC3)C2)C1	REAL300013611231	0	50	0.0	-77.66	381.34	7.50	-70.16
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CC3CC3)C2)C1	REAL300013611231	1	50	0.0	-75.95	380.81	7.38	-68.57
O=C([O-])CN1CCC(NC(=O)NC2CC[N@H+](CC3CC3)C2)CC1	REAL300013611232	0	51	0.0	-75.05	384.86	5.04	-70.01
O=C([O-])CN1CCC(NC(=O)NC2CC[N@@H+](CC3CC3)C2)CC1	REAL300013611232	1	51	0.0	-74.06	384.78	5.20	-68.86
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC3CC[N@H+](CC4CC4)C3)C2)C=N1	REAL300013611233	0	56	0.0	-71.72	424.61	9.44	-62.28
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC3CC[N@@H+](CC4CC4)C3)C2)C=N1	REAL300013611233	1	56	0.0	-63.88	428.68	9.33	-54.55
O=C([O-])C1=CC(CNC(=O)NC2CC[N@H+](CC3CC3)C2)=CC=C1	REAL300013611234	0	46	0.0	-76.89	370.54	7.70	-69.19
O=C([O-])C1=CC(CNC(=O)NC2CC[N@@H+](CC3CC3)C2)=CC=C1	REAL300013611234	1	46	0.0	-76.49	369.22	7.63	-68.86
COC(=O)C1CC2(C1)CN(C(=O)NC1CC[N@H+](CC3CC3)C1)CC2C(=O)[O-]	REAL300013611235	0	56	0.0	-73.41	430.11	9.43	-63.98
COC(=O)C1CC2(C1)CN(C(=O)NC1CC[N@@H+](CC3CC3)C1)CC2C(=O)[O-]	REAL300013611235	1	56	0.0	-69.95	429.57	9.54	-60.41
O=C([O-])CCC1CCCCN1C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300013611236	0	52	0.0	-80.88	380.98	9.45	-71.43
O=C([O-])CCC1CCCCN1C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300013611236	1	52	0.0	-80.06	378.96	9.41	-70.65
O=C([O-])CCCCCCCNC(=O)NC1CC[N@H+](CC2CC2)C1	REAL300013611237	0	54	0.0	-77.29	418.88	8.74	-68.55
O=C([O-])CCCCCCCNC(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300013611237	1	54	0.0	-77.08	417.30	8.59	-68.49
O=C([O-])CCCCCCNC(=O)NC1CC[N@H+](CC2CC2)C1	REAL300013611238	0	51	0.0	-78.18	397.39	7.96	-70.22
O=C([O-])CCCCCCNC(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300013611238	1	51	0.0	-77.72	395.80	7.81	-69.91
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@H+](CC3CC3)C2)C1	REAL300013611239	0	49	0.0	-80.76	362.82	8.81	-71.95
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@@H+](CC3CC3)C2)C1	REAL300013611239	1	49	0.0	-79.85	361.18	8.78	-71.07
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@H+](CC3CC3)C2)C1	REAL300013611240	0	53	0.0	-82.30	392.44	8.44	-73.86
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@@H+](CC3CC3)C2)C1	REAL300013611240	1	53	0.0	-83.96	393.64	7.94	-76.02
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@H+](CC2CC2)C1	REAL300013611241	0	49	0.0	-57.41	381.14	7.57	-49.84
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300013611241	1	49	0.0	-57.83	380.62	7.20	-50.63
O=C([O-])[C@]12CN(C(=O)NC3CC[N@H+](CC4CC4)C3)C[C@H]1C1=CC=CC=C1OC2	REAL300013611242	0	55	0.0	-81.56	419.75	9.54	-72.02
O=C([O-])[C@]12CN(C(=O)NC3CC[N@@H+](CC4CC4)C3)C[C@H]1C1=CC=CC=C1OC2	REAL300013611242	1	55	0.0	-79.94	419.51	10.05	-69.89
O=C([O-])CCC1CCCN(C(=O)NC2CC[N@H+](CC3CC3)C2)C1	REAL300013611243	0	52	0.0	-78.14	386.71	9.37	-68.77
O=C([O-])CCC1CCCN(C(=O)NC2CC[N@@H+](CC3CC3)C2)C1	REAL300013611243	1	52	0.0	-78.80	386.23	9.46	-69.34
O=C([O-])C1CN(C(=O)NC2CC[N@H+](CC3CC3)C2)CC2=CC=CC=C21	REAL300013611244	0	50	0.0	-79.03	379.02	10.69	-68.34
O=C([O-])C1CN(C(=O)NC2CC[N@@H+](CC3CC3)C2)CC2=CC=CC=C21	REAL300013611244	1	50	0.0	-77.38	382.18	10.09	-67.29
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O=C([O-])CC1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCCCC1	REAL300013611382	0	63	0.0	-73.06	442.94	9.70	-63.36
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CC1	REAL300013611383	0	57	0.0	-69.40	417.96	9.19	-60.21
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCCCCC[NH+]2CCCCC2)CC1	REAL300013611384	0	60	0.0	-76.16	442.13	9.47	-66.69
O=C([O-])CC1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1	REAL300013611385	0	57	0.0	-68.56	413.73	10.10	-58.46
O=C([O-])COC1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1	REAL300013611386	0	58	0.0	-76.70	430.27	9.49	-67.21
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1	REAL300013611387	0	57	0.0	-72.41	422.38	8.75	-63.66
O=C([O-])C1CCCC(NC(=O)NCCCCC[NH+]2CCCCC2)C1	REAL300013611388	0	57	0.0	-72.16	421.40	8.72	-63.44
O=C([O-])C1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCCOC1	REAL300013611389	0	58	0.0	-66.07	423.87	7.29	-58.78
O=C([O-])C1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCOC1	REAL300013611390	0	55	0.0	-66.52	408.68	6.26	-60.26
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)C2	REAL300013611391	0	52	0.0	-72.17	398.93	8.24	-63.93
O=C([O-])C1(CNC(=O)NCCCCC[NH+]2CCCCC2)CC1	REAL300013611392	0	51	0.0	-64.74	387.18	7.87	-56.87
O=C([O-])C1CN(C(=O)NCCCCC[NH+]2CCCCC2)CC12CCC2	REAL300013611393	0	58	0.0	-67.27	425.46	10.27	-57.00
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1	REAL300013611394	0	54	0.0	-69.37	415.47	9.27	-60.10
CC1(C(=O)[O-])CN(C(=O)NCCCCC[NH+]2CCCCC2)CCO1	REAL300013611395	0	55	0.0	-78.91	403.89	8.67	-70.24
COC1CC(C(=O)[O-])CN(C(=O)NCCCCC[NH+]2CCCCC2)C1	REAL300013611396	0	58	0.0	-63.00	428.82	8.43	-54.57
O=C([O-])C1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1	REAL300013611397	0	51	0.0	-74.35	382.66	8.50	-65.85
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)C2	REAL300013611398	0	52	0.0	-77.07	397.88	8.27	-68.80
CC(CCC(=O)[O-])NC(=O)NCCCCC[NH+]1CCCCC1	REAL300013611399	0	53	0.0	-69.43	401.29	7.95	-61.48
CC1=CC=CC(C2=CC=C(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2)=C1	REAL300013611432	1	55	0.0	-37.11	428.76	10.35	-26.76
COC1=CC=CC(OCCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013611502	1	53	0.0	-39.55	413.71	5.90	-33.65
O=C([O-])C[NH+]1CCC(NC(=O)NCCNC2=NC=CC(C(F)(F)F)=N2)CC1	REAL300013611576	1	48	0.0	-44.95	399.48	5.94	-39.01
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1F	REAL300013611643	1	48	0.0	-38.34	384.10	8.64	-29.70
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(C3=CC=CC(F)=C3)CC2)CC1	REAL300013611718	1	54	0.0	-37.89	409.86	6.90	-30.99
CC1=CC=C(CC(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013611801	1	48	0.0	-41.39	386.28	7.87	-33.52
CC1=CC=C(C(C)CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013611868	1	51	0.0	-41.24	391.26	8.29	-32.95
CC1=NOC(C)=C1CC(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013611936	1	50	0.0	-42.30	387.83	6.82	-35.48
CN1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCC1=O	REAL300013612033	1	46	0.0	-46.16	351.80	3.99	-42.17
CC(C)N1C=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013612079	1	48	0.0	-37.95	376.23	5.34	-32.61
CC(C)N1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1=O	REAL300013612135	1	49	0.0	-42.54	373.30	4.92	-37.62
CC(CNC(=O)N1CCC(C(=O)[O-])CC1)C[NH+]1CCOCC1	REAL300013612206	1	49	0.0	-74.95	359.55	6.28	-68.67
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C[NH+]1CCOCC1	REAL300013612207	1	49	0.0	-78.93	383.49	5.90	-73.03
CC(CNC(=O)N1CCOC(C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612208	1	47	0.0	-65.96	352.60	4.73	-61.23
CC(CNC(=O)NC1CCC(C(=O)[O-])CC1)C[NH+]1CCOCC1	REAL300013612209	1	52	0.0	-70.96	381.69	6.03	-64.93
CC(CNC(=O)NCCCCC(=O)[O-])C[NH+]1CCOCC1	REAL300013612210	1	48	0.0	-75.14	367.14	4.54	-70.60
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C[NH+]1CCOCC1	REAL300013612211	1	49	0.0	-78.40	383.50	5.89	-72.51
CC(CNC(=O)NCCCCCC(=O)[O-])C[NH+]1CCOCC1	REAL300013612212	1	51	0.0	-76.80	388.73	5.36	-71.44
CC(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C[NH+]1CCOCC1	REAL300013612213	1	59	0.0	-81.95	435.55	9.69	-72.26
CC(CNC(=O)NCC(C)(C)C(=O)[O-])C[NH+]1CCOCC1	REAL300013612214	1	48	0.0	-78.02	359.09	4.47	-73.55
CC(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612215	1	49	0.0	-77.53	366.69	5.87	-71.66
CC(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612216	1	52	0.0	-63.13	376.46	7.11	-56.02
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C[NH+]1CCOCC1	REAL300013612217	1	52	0.0	-76.71	373.75	6.60	-70.11
CC(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612218	1	52	0.0	-79.96	375.72	6.73	-73.23
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C[NH+]1CCOCC1	REAL300013612219	1	53	0.0	-67.17	385.81	3.97	-63.20
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])C[NH+]1CCOCC1	REAL300013612220	1	51	0.0	-73.77	378.43	4.67	-69.10
CCC(CC)(CNC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300013612221	1	54	0.0	-68.53	391.32	5.48	-63.05
CC(C)C(CNC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300013612222	1	51	0.0	-66.25	375.25	5.08	-61.17
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C[NH+]1CCOCC1	REAL300013612223	1	58	0.0	-80.48	421.88	6.84	-73.64
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCOCC1	REAL300013612224	1	55	0.0	-67.65	410.70	7.32	-60.33
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612225	1	49	0.0	-70.45	367.29	5.07	-65.38
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C[NH+]1CCOCC1	REAL300013612226	1	55	0.0	-78.02	400.35	7.73	-70.29
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612227	1	51	0.0	-75.61	376.94	4.55	-71.06
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)C[NH+]1CCOCC1	REAL300013612228	1	52	0.0	-67.13	384.19	5.85	-61.28
CC(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)C[NH+]1CCOCC1	REAL300013612229	1	52	0.0	-74.51	372.95	7.01	-67.50
CC(CNC(=O)NCC1(C(=O)[O-])CCC1)C[NH+]1CCOCC1	REAL300013612230	1	49	0.0	-65.47	367.12	5.00	-60.47
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)C[NH+]1CCOCC1	REAL300013612231	1	52	0.0	-76.94	391.23	5.78	-71.16
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C[NH+]1CCOCC1	REAL300013612232	1	52	0.0	-76.71	373.75	6.60	-70.11
CC(C)C[C@H](CNC(=O)NCC(C)C[NH+]1CCOCC1)CC(=O)[O-]	REAL300013612233	1	57	0.0	-73.56	411.91	6.19	-67.37
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C[NH+]1CCOCC1	REAL300013612234	1	49	0.0	-72.18	377.11	6.00	-66.18
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)C[NH+]2CCOCC2)C1	REAL300013612235	1	53	0.0	-78.60	397.56	4.99	-73.61
CC(CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)C[NH+]1CCOCC1	REAL300013612237	1	59	0.0	-77.81	437.85	7.75	-70.06
CC(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612238	1	49	0.0	-80.31	359.81	6.26	-74.05
CC(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612239	1	49	0.0	-80.44	360.27	6.31	-74.13
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C[NH+]1CCOCC1	REAL300013612240	1	49	0.0	-78.40	383.50	5.89	-72.51
COC(=O)C1CC2(C1)CN(C(=O)NCC(C)C[NH+]1CCOCC1)CC2C(=O)[O-]	REAL300013612241	1	59	0.0	-72.35	444.03	7.76	-64.59
CCC(CNC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300013612242	1	48	0.0	-65.96	359.81	4.67	-61.29
CC(CNC(=O)N1CCCCC1CCC(=O)[O-])C[NH+]1CCOCC1	REAL300013612243	1	55	0.0	-76.41	393.56	7.69	-68.72
CC(CNC(=O)NCCCCCCCC(=O)[O-])C[NH+]1CCOCC1	REAL300013612244	1	57	0.0	-76.45	431.64	6.90	-69.55
CC(CNC(=O)NCCCCCCC(=O)[O-])C[NH+]1CCOCC1	REAL300013612245	1	54	0.0	-79.57	410.23	6.14	-73.43
CC(CNC(=O)N(C)CCCC(=O)[O-])C[NH+]1CCOCC1	REAL300013612246	1	48	0.0	-72.93	363.27	6.15	-66.78
CC(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612247	1	52	0.0	-81.41	375.06	7.04	-74.37
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)C[NH+]2CCOCC2)C1	REAL300013612248	1	56	0.0	-84.34	406.58	6.80	-77.54
COCCN(CCC(=O)[O-])C(=O)NCC(C)C[NH+]1CCOCC1	REAL300013612249	1	52	0.0	-61.72	394.96	5.50	-56.22
CC(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612250	1	55	0.0	-80.48	400.54	7.72	-72.76
CC(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612251	1	53	0.0	-81.40	393.00	9.05	-72.35
CC(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C[NH+]1CCOCC1	REAL300013612252	1	50	0.0	-74.22	372.45	4.99	-69.23
CC(CNC(=O)N1CC(C(=O)[O-])CCC1C)C[NH+]1CCOCC1	REAL300013612253	1	52	0.0	-62.98	375.44	6.87	-56.11
CC(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612254	1	56	0.0	-69.15	423.02	8.89	-60.26
CC(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612255	1	50	0.0	-77.92	369.80	3.84	-74.08
CC(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C[NH+]1CCOCC1	REAL300013612256	1	53	0.0	-75.07	403.87	7.04	-68.03
CC(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C[NH+]1CCOCC1	REAL300013612257	1	56	0.0	-85.90	411.81	6.12	-79.78
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)C[NH+]2CCOCC2)CC1	REAL300013612258	1	56	0.0	-77.21	405.12	5.71	-71.50
CC(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C[NH+]1CCOCC1	REAL300013612259	1	47	0.0	-79.78	361.07	4.62	-75.16
CC(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C[NH+]1CCOCC1	REAL300013612260	1	58	0.0	-70.20	406.84	6.58	-63.62
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C[NH+]1CCOCC1	REAL300013612261	1	52	0.0	-70.27	381.69	6.03	-64.24
CC(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C[NH+]1CCOCC1	REAL300013612262	1	55	0.0	-77.98	404.69	6.30	-71.68
CC(CNC(=O)N1CCC(CC(=O)[O-])CC1)C[NH+]1CCOCC1	REAL300013612263	1	52	0.0	-77.82	378.04	6.95	-70.87
CC(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C[NH+]1CCOCC1	REAL300013612264	1	53	0.0	-78.33	394.61	6.37	-71.96
CC(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612265	1	52	0.0	-74.41	386.12	5.59	-68.82
CC(CNC(=O)NC1CCCC(C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612266	1	52	0.0	-74.11	385.60	5.58	-68.53
CC(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C[NH+]1CCOCC1	REAL300013612267	1	53	0.0	-70.97	390.94	4.43	-66.54
CC(CNC(=O)NCC1(C(=O)[O-])CCOC1)C[NH+]1CCOCC1	REAL300013612268	1	50	0.0	-67.19	372.87	3.13	-64.06
CC(CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C[NH+]1CCOCC1	REAL300013612269	1	61	0.0	-78.39	458.76	8.30	-70.09
CC(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C[NH+]1CCOCC1	REAL300013612270	1	47	0.0	-73.69	362.67	5.08	-68.61
CC(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C[NH+]1CCOCC1	REAL300013612271	1	53	0.0	-68.93	389.20	7.11	-61.82
CC(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C[NH+]1CCOCC1	REAL300013612272	1	49	0.0	-70.85	380.32	6.14	-64.71
CC(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013612273	1	50	0.0	-81.50	368.09	5.52	-75.98
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)C[NH+]2CCOCC2)C1	REAL300013612274	1	53	0.0	-64.74	391.38	5.37	-59.37
CC(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C[NH+]1CCOCC1	REAL300013612275	1	47	0.0	-79.67	361.62	5.10	-74.57
CC(CNC(=O)NC(C)CCC(=O)[O-])C[NH+]1CCOCC1	REAL300013612276	1	48	0.0	-70.63	365.49	4.81	-65.82
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(O)C(F)=C2)CC1	REAL300013612297	1	43	0.0	-38.86	350.00	3.46	-35.40
C[NH+](C)CC1(CNC(=O)N2CCC(C(=O)[O-])CC2)CCCC1	REAL300013612332	0	51	0.0	-70.92	359.32	8.68	-62.24
C[NH+](C)CC1(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CCCC1	REAL300013612333	0	51	0.0	-76.13	381.75	8.28	-67.85
C[NH+](C)CC1(CNC(=O)N2CCOC(C(=O)[O-])C2)CCCC1	REAL300013612334	0	49	0.0	-73.63	350.97	7.09	-66.54
C[NH+](C)CC1(CNC(=O)NC2CCC(C(=O)[O-])CC2)CCCC1	REAL300013612335	0	54	0.0	-74.31	384.57	7.97	-66.34
C[NH+](C)CC1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCCC1	REAL300013612336	0	51	0.0	-74.43	381.94	8.26	-66.17
C[NH+](C)CC1(CNC(=O)NCCCCCC(=O)[O-])CCCC1	REAL300013612337	0	53	0.0	-72.36	386.99	7.74	-64.62
C[NH+](C)CC1(CNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CCCC1	REAL300013612338	0	61	0.0	-77.42	435.15	12.13	-65.29
C[NH+](C)CC1(CNC(=O)N2CCC(C)(C(=O)[O-])C2)CCCC1	REAL300013612339	0	51	0.0	-78.67	364.06	8.19	-70.48
CC1CC(C(=O)[O-])CN(C(=O)NCC2(C[NH+](C)C)CCCC2)C1	REAL300013612340	0	54	0.0	-64.48	373.91	9.41	-55.07
C[NH+](C)CC1(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CCCC1	REAL300013612341	0	54	0.0	-71.78	372.02	8.93	-62.85
CC1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC1C(=O)[O-]	REAL300013612342	0	54	0.0	-65.56	371.79	8.82	-56.74
C[NH+](C)CC1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCCC1	REAL300013612343	0	55	0.0	-66.40	384.19	6.31	-60.09
C[NH+](C)CC1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCC1	REAL300013612344	0	53	0.0	-70.24	377.28	7.06	-63.18
CCC(CC)(CNC(=O)NCC1(C[NH+](C)C)CCCC1)C(=O)[O-]	REAL300013612345	0	56	0.0	-64.38	385.06	8.02	-56.36
CC(C)C(CNC(=O)NCC1(C[NH+](C)C)CCCC1)C(=O)[O-]	REAL300013612346	0	53	0.0	-67.50	379.96	7.33	-60.17
CC(NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013612347	0	60	0.0	-80.03	422.45	9.01	-71.02
C[NH+](C)CC1(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCCC1	REAL300013612348	0	57	0.0	-66.01	413.05	9.49	-56.52
C[NH+](C)CC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1	REAL300013612349	0	51	0.0	-70.00	358.96	7.32	-62.68
C[NH+](C)CC1(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CCCC1	REAL300013612350	0	57	0.0	-72.57	398.63	10.07	-62.50
C[NH+](C)CC1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300013612351	0	53	0.0	-75.79	369.45	6.70	-69.09
C[NH+](C)CC1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCCC1	REAL300013612352	0	54	0.0	-63.88	379.56	8.41	-55.47
CC1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CCC1C(=O)[O-]	REAL300013612353	0	54	0.0	-69.14	371.28	9.36	-59.78
C[NH+](C)CC1(CNC(=O)NCC2(C(=O)[O-])CCC2)CCCC1	REAL300013612354	0	51	0.0	-64.14	367.56	7.31	-56.83
C[NH+](C)CC1(CNC(=O)NCC(CC(=O)[O-])C2CC2)CCCC1	REAL300013612355	0	54	0.0	-76.33	392.42	7.97	-68.36
C[NH+](C)CC1(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CCCC1	REAL300013612356	0	54	0.0	-71.78	372.02	8.93	-62.85
CC(C)C[C@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)CC(=O)[O-]	REAL300013612357	0	59	0.0	-72.73	412.22	8.30	-64.43
C[NH+](C)CC1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCCC1	REAL300013612358	0	51	0.0	-56.97	377.88	8.16	-48.81
COCC1(C(=O)[O-])CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)C1	REAL300013612359	0	55	0.0	-69.52	397.89	7.02	-62.50
C[NH+](C)CC1(CNC(=O)NC2CCN(CC(=O)[O-])CC2)CCCC1	REAL300013612360	0	56	0.0	-71.36	397.87	5.79	-65.57
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3(C[NH+](C)C)CCCC3)C2)C=N1	REAL300013612361	0	61	0.0	-75.28	435.72	10.10	-65.18
C[NH+](C)CC1(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CCCC1	REAL300013612362	0	51	0.0	-72.97	358.09	8.59	-64.38
C[NH+](C)CC1(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CCCC1	REAL300013612363	0	51	0.0	-66.44	358.96	8.64	-57.80
C[NH+](C)CC1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCCC1	REAL300013612364	0	51	0.0	-74.43	381.94	8.26	-66.17
COC(=O)C1CC2(C1)CN(C(=O)NCC1(C[NH+](C)C)CCCC1)CC2C(=O)[O-]	REAL300013612365	0	61	0.0	-71.36	442.45	10.13	-61.23
C[NH+](C)CC1(CNC(=O)N2CCCCC2CCC(=O)[O-])CCCC1	REAL300013612366	0	57	0.0	-71.99	392.47	10.02	-61.97
C[NH+](C)CC1(CNC(=O)NCCCCCCCC(=O)[O-])CCCC1	REAL300013612367	0	59	0.0	-74.12	429.99	9.30	-64.82
C[NH+](C)CC1(CNC(=O)NCCCCCCC(=O)[O-])CCCC1	REAL300013612368	0	56	0.0	-74.28	408.67	8.51	-65.77
C[NH+](C)CC1(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CCCC1	REAL300013612369	0	54	0.0	-57.74	375.82	9.08	-48.66
COCC1(C(=O)[O-])CCCN(C(=O)NCC2(C[NH+](C)C)CCCC2)C1	REAL300013612370	0	58	0.0	-81.77	407.92	8.28	-73.49
COCCN(CCC(=O)[O-])C(=O)NCC1(C[NH+](C)C)CCCC1	REAL300013612371	0	54	0.0	-65.22	393.49	7.90	-57.32
C[NH+](C)CC1(CNC(=O)N2CCCC(CCC(=O)[O-])C2)CCCC1	REAL300013612372	0	57	0.0	-73.55	399.00	10.06	-63.49
C[NH+](C)CC1(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CCCC1	REAL300013612373	0	55	0.0	-82.51	393.92	11.08	-71.43
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)CCO1	REAL300013612374	0	62	0.0	-71.87	448.73	8.23	-63.64
C[NH+](C)CC1(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCCC1	REAL300013612375	0	52	0.0	-70.05	371.08	7.38	-62.67
CC1CCC(C(=O)[O-])CN1C(=O)NCC1(C[NH+](C)C)CCCC1	REAL300013612376	0	54	0.0	-64.70	375.65	9.17	-55.53
C[NH+](C)CC1(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CCCC1	REAL300013612377	0	58	0.0	-66.42	422.92	11.05	-55.37
C[NH+](C)CC1(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CCCC1	REAL300013612378	0	52	0.0	-56.73	370.09	5.90	-50.83
C[NH+](C)CC1(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CCCC1	REAL300013612379	0	55	0.0	-73.66	404.55	9.48	-64.18
C[NH+](C)CC1(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CCCC1	REAL300013612380	0	58	0.0	-91.68	412.00	8.39	-83.29
COCC1(C(=O)[O-])CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC1	REAL300013612381	0	58	0.0	-77.05	401.86	8.77	-68.28
C[NH+](C)CC1(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CCCC1	REAL300013612382	0	49	0.0	-73.48	359.32	6.94	-66.54
C[NH+](C)CC1(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CCCC1	REAL300013612383	0	60	0.0	-69.59	405.31	8.94	-60.65
C[NH+](C)CC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CCCC1	REAL300013612384	0	54	0.0	-69.62	379.93	8.40	-61.22
C[NH+](C)CC1(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CCCC1	REAL300013612385	0	57	0.0	-76.88	397.69	8.57	-68.31
C[NH+](C)CC1(CNC(=O)N2CCC(CC(=O)[O-])CC2)CCCC1	REAL300013612386	0	54	0.0	-71.79	376.32	9.29	-62.50
C[NH+](C)CC1(CNC(=O)N2CCC(OCC(=O)[O-])CC2)CCCC1	REAL300013612387	0	55	0.0	-73.58	392.92	8.71	-64.87
C[NH+](C)CC1(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CCCC1	REAL300013612388	0	54	0.0	-71.59	386.12	7.64	-63.95
C[NH+](C)CC1(CNC(=O)NC2CCCC(C(=O)[O-])C2)CCCC1	REAL300013612389	0	54	0.0	-70.53	386.57	7.90	-62.63
C[NH+](C)CC1(CNC(=O)NCC2(C(=O)[O-])CCCOC2)CCCC1	REAL300013612390	0	55	0.0	-53.68	388.85	6.31	-47.37
C[NH+](C)CC1(CNC(=O)NCC2(C(=O)[O-])CCOC2)CCCC1	REAL300013612391	0	52	0.0	-64.06	371.25	5.48	-58.58
C[NH+](C)CC1(CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)CCCC1	REAL300013612392	0	63	0.0	-74.89	457.15	10.65	-64.24
C[NH+](C)CC1(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCC1	REAL300013612393	0	49	0.0	-70.34	363.13	7.39	-62.95
C[NH+](C)CC1(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CCCC1	REAL300013612394	0	55	0.0	-67.16	386.37	9.40	-57.76
C[NH+](C)CC1(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CCCC1	REAL300013612395	0	51	0.0	-65.18	382.08	8.44	-56.74
C[NH+](C)CC1(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CCCC1	REAL300013612396	0	52	0.0	-74.67	366.56	7.88	-66.79
COC1CC(C(=O)[O-])CN(C(=O)NCC2(C[NH+](C)C)CCCC2)C1	REAL300013612397	0	55	0.0	-65.71	391.11	7.60	-58.11
C[NH+](C)CC1(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCC1	REAL300013612398	0	49	0.0	-74.47	362.43	7.23	-67.24
COC1=CC=CC=C1C1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCC1	REAL300013612432	1	56	0.0	-36.39	421.52	8.09	-28.30
CN1N=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=CC=C21	REAL300013612503	1	48	0.0	-38.91	383.09	6.17	-32.74
CN1C=CC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013612558	1	45	0.0	-41.91	357.46	4.75	-37.16
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C2CCCCC2=C1	REAL300013612615	1	55	0.0	-35.95	413.36	9.61	-26.34
CC1=CC=CC=C1C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1C	REAL300013612689	1	58	0.0	-36.64	432.03	10.82	-25.82
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC(O)(C3=CC=CC=C3)CC2)CC1	REAL300013612757	1	56	0.0	-37.23	417.54	6.41	-30.82
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2CCCCO2)CC1	REAL300013612821	1	52	0.0	-40.78	390.75	5.95	-34.83
CCC(CC(F)(F)F)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013612877	1	44	0.0	-36.94	343.86	6.09	-30.85
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C2CCCCC2=C1	REAL300013612945	1	55	0.0	-35.80	413.34	9.61	-26.19
O=C([O-])C[NH+]1CCC(NC(=O)NC2CC3=CC=CC=C3C2)CC1	REAL300013613008	1	46	0.0	-37.16	356.08	7.58	-29.58
CN1N=CC=C1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013613106	1	45	0.0	-42.05	354.90	4.61	-37.44
CCC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCCC1	REAL300013613151	1	54	0.0	-34.89	379.61	7.59	-27.30
COC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCOC1	REAL300013613312	1	47	0.0	-36.90	354.82	2.17	-34.73
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CN=C(N3CCOCC3)C(F)=C2)CC1	REAL300013613379	1	54	0.0	-38.81	419.07	4.53	-34.28
CC(C)C1CCC2=CC=CC=C2C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013613447	1	58	0.0	-35.89	416.89	10.29	-25.60
CC1CCCC2=CC=CC=C2C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013613520	1	55	0.0	-36.74	402.76	10.01	-26.73
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013613610	0	52	0.0	-75.97	393.84	10.01	-65.96
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013613610	1	52	0.0	-71.02	388.96	10.34	-60.68
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013613611	0	52	0.0	-78.72	413.78	10.02	-68.70
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013613611	1	52	0.0	-78.20	413.13	9.99	-68.21
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013613612	0	50	0.0	-63.99	382.38	8.77	-55.22
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013613612	1	50	0.0	-63.83	383.00	8.84	-54.99
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013613613	0	55	0.0	-70.53	413.64	9.72	-60.81
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013613613	1	55	0.0	-80.39	420.07	9.31	-71.08
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCCCCC(=O)[O-]	REAL300013613614	0	51	0.0	-76.97	400.50	8.32	-68.65
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCCCCC(=O)[O-]	REAL300013613614	1	51	0.0	-76.46	397.56	8.71	-67.75
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013613615	0	52	0.0	-78.98	416.76	9.64	-69.34
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013613615	1	52	0.0	-78.72	413.77	10.04	-68.68
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCCC(=O)[O-]	REAL300013613616	0	45	0.0	-73.67	357.51	6.74	-66.93
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCCC(=O)[O-]	REAL300013613616	1	45	0.0	-73.07	354.56	7.13	-65.94
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCCCCCC(=O)[O-]	REAL300013613617	0	54	0.0	-76.00	422.00	9.10	-66.90
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCCCCCC(=O)[O-]	REAL300013613617	1	54	0.0	-75.41	419.05	9.49	-65.92
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013613618	0	51	0.0	-76.79	392.36	8.21	-68.58
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013613618	1	51	0.0	-76.46	389.99	8.59	-67.87
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013613619	0	52	0.0	-75.38	396.88	9.97	-65.41
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013613619	1	52	0.0	-76.16	399.51	9.39	-66.77
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013613620	0	55	0.0	-79.30	410.49	10.98	-68.32
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013613620	1	55	0.0	-80.08	416.31	10.62	-69.46
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013613621	0	55	0.0	-72.88	402.86	10.57	-62.31
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013613621	1	55	0.0	-74.33	402.34	10.44	-63.89
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCCCC(=O)[O-]	REAL300013613622	0	48	0.0	-71.89	379.00	7.54	-64.35
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCCCC(=O)[O-]	REAL300013613622	1	48	0.0	-71.21	376.06	7.93	-63.28
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013613623	0	55	0.0	-63.52	412.99	10.41	-53.11
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013613623	1	55	0.0	-81.54	400.83	10.51	-71.03
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013613624	0	56	0.0	-67.14	419.09	7.70	-59.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013613624	1	56	0.0	-67.00	416.09	8.11	-58.89
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013613625	0	54	0.0	-73.03	412.29	8.42	-64.61
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013613625	1	54	0.0	-72.37	408.76	8.81	-63.56
CCC(CC)(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013613626	0	57	0.0	-65.24	419.00	9.95	-55.29
CCC(CC)(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013613626	1	57	0.0	-62.58	419.89	9.38	-53.20
CC(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013613627	0	48	0.0	-74.34	373.10	7.89	-66.45
CC(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013613627	1	48	0.0	-75.26	376.05	7.51	-67.75
CC(C)C(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013613628	0	54	0.0	-62.17	406.58	9.18	-52.99
CC(C)C(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013613628	1	54	0.0	-68.29	414.73	8.70	-59.59
CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013613629	0	61	0.0	-78.55	452.22	10.17	-68.38
CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013613629	1	61	0.0	-79.72	452.54	10.05	-69.67
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013613630	0	58	0.0	-64.50	443.96	11.07	-53.43
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013613630	1	58	0.0	-67.79	444.93	11.25	-56.54
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013613631	0	52	0.0	-71.54	397.41	9.18	-62.36
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013613631	1	52	0.0	-72.42	396.61	8.98	-63.44
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013613632	0	58	0.0	-74.06	432.98	11.29	-62.77
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013613632	1	58	0.0	-73.45	429.74	11.79	-61.66
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013613633	0	54	0.0	-74.27	410.10	8.28	-65.99
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013613633	1	54	0.0	-72.75	407.89	8.56	-64.19
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013613634	0	55	0.0	-66.98	417.46	9.58	-57.40
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013613634	1	55	0.0	-64.03	418.10	9.56	-54.47
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013613635	0	55	0.0	-72.71	401.82	11.07	-61.64
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013613635	1	55	0.0	-75.19	406.50	10.76	-64.43
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013613636	0	52	0.0	-61.74	399.74	8.83	-52.91
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013613636	1	52	0.0	-64.04	395.45	9.32	-54.72
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013613637	0	55	0.0	-76.00	420.35	9.90	-66.10
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013613637	1	55	0.0	-69.07	420.10	9.98	-59.09
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013613638	0	55	0.0	-72.88	402.86	10.57	-62.31
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013613638	1	55	0.0	-74.33	402.34	10.44	-63.89
CC(C)C[C@H](CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013613639	0	60	0.0	-69.91	451.58	10.13	-59.78
CC(C)C[C@H](CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013613639	1	60	0.0	-73.30	441.32	10.33	-62.97
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013613640	0	52	0.0	-68.18	409.96	9.59	-58.59
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013613640	1	52	0.0	-72.00	407.39	10.15	-61.85
COCC1(C(=O)[O-])CCN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300013613641	0	56	0.0	-81.20	427.97	9.05	-72.15
COCC1(C(=O)[O-])CCN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300013613641	1	56	0.0	-76.48	426.42	9.78	-66.70
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013613642	0	49	0.0	-72.96	384.32	8.10	-64.86
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013613642	1	49	0.0	-72.24	381.28	8.46	-63.78
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013613643	0	57	0.0	-75.04	432.45	7.18	-67.86
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013613643	1	57	0.0	-74.42	429.56	7.57	-66.85
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013613644	0	52	0.0	-61.30	392.40	9.82	-51.48
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013613644	1	52	0.0	-61.82	394.24	9.99	-51.83
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013613645	0	52	0.0	-78.72	393.69	9.88	-68.84
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013613645	1	52	0.0	-79.16	392.92	9.85	-69.31
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013613646	0	49	0.0	-72.86	381.11	8.37	-64.49
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013613646	1	49	0.0	-72.41	381.43	8.51	-63.90
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013613647	0	49	0.0	-73.59	380.34	8.49	-65.10
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013613647	1	49	0.0	-74.88	385.27	8.16	-66.72
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013613648	0	52	0.0	-78.98	416.76	9.64	-69.34
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013613648	1	52	0.0	-78.72	413.77	10.04	-68.68
CCC(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013613649	0	51	0.0	-64.55	395.06	8.59	-55.96
CCC(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013613649	1	51	0.0	-65.65	393.03	8.43	-57.22
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013613650	0	58	0.0	-81.85	423.46	11.65	-70.20
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013613650	1	58	0.0	-79.12	427.07	11.37	-67.75
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013613651	0	60	0.0	-77.91	465.00	10.66	-67.25
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013613651	1	60	0.0	-77.43	462.05	11.05	-66.38
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCCCCCCC(=O)[O-]	REAL300013613652	0	57	0.0	-78.57	443.50	9.88	-68.69
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCCCCCCC(=O)[O-]	REAL300013613652	1	57	0.0	-78.19	440.55	10.27	-67.92
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)CCCC(=O)[O-]	REAL300013613653	0	51	0.0	-77.47	396.30	9.91	-67.56
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N(C)CCCC(=O)[O-]	REAL300013613653	1	51	0.0	-76.86	393.63	10.32	-66.54
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013613654	0	55	0.0	-80.27	407.79	10.61	-69.66
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013613654	1	55	0.0	-81.73	405.41	11.07	-70.66
COCC1(C(=O)[O-])CCCN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300013613655	0	59	0.0	-85.07	437.60	10.25	-74.82
COCC1(C(=O)[O-])CCCN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300013613655	1	59	0.0	-84.48	434.94	11.04	-73.44
COCCN(CCC(=O)[O-])C(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300013613656	0	55	0.0	-58.00	425.33	10.04	-47.96
COCCN(CCC(=O)[O-])C(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300013613656	1	55	0.0	-58.78	428.27	9.64	-49.14
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013613657	0	58	0.0	-79.05	430.96	11.83	-67.22
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013613657	1	58	0.0	-79.75	433.48	11.44	-68.31
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013613658	0	56	0.0	-85.99	425.20	12.21	-73.78
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013613658	1	56	0.0	-84.46	424.18	12.31	-72.15
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013613659	0	53	0.0	-69.04	402.15	8.95	-60.09
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013613659	1	53	0.0	-70.12	402.22	8.96	-61.16
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013613660	0	55	0.0	-61.78	405.82	10.94	-50.84
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013613660	1	55	0.0	-59.50	408.70	10.56	-48.94
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013613661	0	53	0.0	-76.45	399.10	7.96	-68.49
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013613661	1	53	0.0	-77.87	400.22	7.91	-69.96
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013613662	0	56	0.0	-74.67	434.64	10.62	-64.05
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013613662	1	56	0.0	-76.33	439.20	10.84	-65.49
COCC1(C(=O)[O-])CCN(C(=O)NC2C[N@H+](CC3=CC=CC=C3)CC2C)CC1	REAL300013613663	0	59	0.0	-78.10	434.53	9.62	-68.48
COCC1(C(=O)[O-])CCN(C(=O)NC2C[N@@H+](CC3=CC=CC=C3)CC2C)CC1	REAL300013613663	1	59	0.0	-76.49	437.72	10.10	-66.39
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013613664	0	50	0.0	-79.04	393.74	8.15	-70.89
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013613664	1	50	0.0	-79.31	393.76	8.32	-70.99
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013613665	0	61	0.0	-69.39	437.41	10.63	-58.76
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013613665	1	61	0.0	-78.48	441.62	10.32	-68.16
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013613666	0	55	0.0	-68.85	416.18	9.78	-59.07
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013613666	1	55	0.0	-68.96	413.37	9.68	-59.28
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013613667	0	58	0.0	-78.38	439.07	10.06	-68.32
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013613667	1	58	0.0	-78.51	440.22	10.05	-68.46
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013613668	0	55	0.0	-70.11	412.37	10.72	-59.39
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013613668	1	55	0.0	-68.07	407.84	10.96	-57.11
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013613669	0	56	0.0	-75.53	427.27	9.92	-65.61
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013613669	1	56	0.0	-74.82	424.03	10.43	-64.39
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013613670	0	55	0.0	-74.60	420.72	9.34	-65.26
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013613670	1	55	0.0	-73.29	420.21	9.33	-63.96
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013613671	0	55	0.0	-71.63	415.50	9.68	-61.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013613671	1	55	0.0	-70.70	414.44	9.74	-60.96
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013613672	0	56	0.0	-61.95	419.91	7.80	-54.15
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013613672	1	56	0.0	-66.78	421.12	8.68	-58.10
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013613673	0	53	0.0	-67.44	405.09	7.40	-60.04
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013613673	1	53	0.0	-67.13	405.67	7.44	-59.69
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013613674	0	50	0.0	-73.57	392.85	9.16	-64.41
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013613674	1	50	0.0	-72.23	392.97	9.14	-63.09
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013613675	0	49	0.0	-63.42	384.66	8.47	-54.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013613675	1	49	0.0	-61.21	385.92	8.50	-52.71
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013613676	0	56	0.0	-67.70	418.98	11.16	-56.54
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O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCC2(F)F)CC1	REAL300013617925	1	45	0.0	-35.97	348.40	6.36	-29.61
CCN1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1=O	REAL300013617989	1	46	0.0	-42.82	357.85	4.34	-38.48
CC(C1=CC=C(S(C)(=O)=O)C=C1)[NH+]1CCC(NC(=O)NCCC(=O)[O-])CC1	REAL300013618015	1	54	0.0	-86.05	430.19	4.93	-81.12
O=C([O-])C[NH+]1CCC(NC(=O)NCCS(=O)(=O)C2CCOCC2)CC1	REAL300013618049	1	52	0.0	-50.13	407.74	1.74	-48.39
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)NCCCCC(=O)[O-])CC2)C=C1	REAL300013618113	0	58	0.0	-84.28	452.79	7.20	-77.08
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)NCCC(=O)[O-])CC2)C=C1	REAL300013618114	0	52	0.0	-81.27	410.07	5.61	-75.66
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013618115	0	58	0.0	-84.28	444.93	7.09	-77.19
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013618116	0	55	0.0	-79.73	431.57	6.41	-73.32
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)NCC(C)C(=O)[O-])CC2)C=C1	REAL300013618117	0	55	0.0	-82.32	427.75	6.35	-75.97
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300013618118	0	56	0.0	-79.96	436.92	7.02	-72.94
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)NC3CC(C(=O)[O-])C3)CC2)C=C1	REAL300013618119	0	56	0.0	-81.79	437.03	7.02	-74.77
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)C=C1	REAL300013618120	0	56	0.0	-82.17	436.55	7.02	-75.15
CCC(CNC(=O)NC1CC[NH+](CC2=CC=C(NC(C)=O)C=C2)CC1)C(=O)[O-]	REAL300013618121	0	58	0.0	-75.46	450.59	7.07	-68.39
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)N(C)CCCC(=O)[O-])CC2)C=C1	REAL300013618122	0	58	0.0	-86.32	449.46	8.85	-77.47
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)NCC3(C(=O)[O-])CC3)CC2)C=C1	REAL300013618123	0	56	0.0	-70.92	437.49	7.40	-63.52
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)N3CC(C(=O)[O-])C3)CC2)C=C1	REAL300013618124	0	53	0.0	-78.24	417.51	7.19	-71.05
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)N3CCC(C(=O)[O-])C3)CC2)C=C1	REAL300013618125	0	56	0.0	-82.27	432.99	8.04	-74.23
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)NC(C)CCC(=O)[O-])CC2)C=C1	REAL300013618126	0	58	0.0	-77.91	451.34	7.40	-70.51
CC1=CC=NC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013618135	1	44	0.0	-37.21	345.60	5.01	-32.20
COCC(COC)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013618167	1	46	0.0	-35.42	356.20	3.63	-31.79
C#CCOC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013618222	1	48	0.0	-42.56	390.28	7.05	-35.51
CN(C)C(=O)CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013618299	1	55	0.0	-43.07	429.52	7.87	-35.20
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCOC(C3=CC=CN=C3)C2)CC1	REAL300013618371	1	52	0.0	-39.92	397.36	5.98	-33.94
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCOC(C3=CC=NC=C3)C2)CC1	REAL300013618446	1	52	0.0	-42.37	401.32	5.65	-36.72
C=C[C@@H]1OCCC[C@H]1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013618500	1	47	0.0	-41.55	359.58	4.96	-36.59
CN(C)S(=O)(=O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013618598	1	53	0.0	-45.64	428.64	4.27	-41.37
CC(C)C1=CC=C(OCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013618665	1	55	0.0	-36.79	422.85	7.79	-29.00
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=C3OCOC3=C2)CC1	REAL300013618740	1	49	0.0	-41.04	389.12	4.54	-36.50
CC(C)NC(=O)CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013618795	1	48	0.0	-44.15	374.57	3.16	-40.99
CCC(C)NC(=O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013618855	1	58	0.0	-46.25	452.36	7.16	-39.09
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)NC3CC3)=C2)CC1	REAL300013618950	1	53	0.0	-42.60	421.22	6.25	-36.35
O=C([O-])C[NH+]1CCC(NC(=O)NCCCOCC(F)(F)F)CC1	REAL300013619021	1	45	0.0	-38.39	369.44	4.49	-33.90
CCC(C)C(=O)NC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013619094	1	58	0.0	-41.23	447.63	7.29	-33.94
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C(Cl)S2)CC1	REAL300013619206	1	42	0.0	-42.41	361.91	6.76	-35.65
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=C3NC(=O)CCC3=C2)CC1	REAL300013619308	1	54	0.0	-42.35	422.90	5.08	-37.27
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NN=C3CCCCN23)CC1	REAL300013619371	1	48	0.0	-42.04	370.57	6.24	-35.80
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CSC3=CC=CC=C23)CC1	REAL300013619470	1	48	0.0	-43.72	391.00	8.39	-35.33
CCOC(=O)CCCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013619671	1	56	0.0	-40.60	436.16	8.06	-32.54
O=C([O-])C[NH+]1CCC(NC(=O)NCCCN2N=C3CCCCN3C2=O)CC1	REAL300013619746	1	55	0.0	-48.60	425.89	6.89	-41.71
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300013619817	1	49	0.0	-39.36	401.78	6.90	-32.46
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300013619883	1	49	0.0	-38.35	401.37	6.86	-31.49
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC(C3=CC=CC=C3)=CS2)CC1	REAL300013619959	1	48	0.0	-38.64	396.24	7.02	-31.62
CC(C)(C)C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013620032	1	54	0.0	-40.05	400.21	8.53	-31.52
O=C([O-])C[NH+]1CCC(NC(=O)NCCSC(F)(F)F)CC1	REAL300013620120	1	39	0.0	-37.19	337.31	5.03	-32.16
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC([N+](=O)[O-])=C1	REAL300013620193	1	47	0.0	-42.71	378.86	7.78	-34.93
COC1=CC=CC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1OC	REAL300013620268	1	53	0.0	-45.29	413.69	6.30	-38.99
CCOCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013620319	1	48	0.0	-37.32	371.36	4.81	-32.51
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3CCOCC3)C(F)=C2)CC1	REAL300013620373	1	55	0.0	-38.30	426.80	5.37	-32.93
O=C([O-])C[NH+]1CCC(NC(=O)NCCCCOCCC2=CC=CC=C2)CC1	REAL300013620515	1	58	0.0	-38.11	452.77	8.63	-29.48
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C[NH+]1CCCC1	REAL300013620555	0	48	0.0	-74.51	376.24	7.59	-66.92
CC(CNC(=O)NC1CCC(C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013620556	0	51	0.0	-74.02	378.44	7.21	-66.81
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C[NH+]1CCCC1	REAL300013620557	0	48	0.0	-72.35	375.81	7.50	-64.85
CC(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013620558	0	58	0.0	-75.97	425.01	11.25	-64.72
CC(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013620559	0	51	0.0	-60.21	373.65	8.53	-51.68
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013620560	0	51	0.0	-70.53	366.49	8.21	-62.32
CC(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013620561	0	51	0.0	-72.80	367.65	8.37	-64.43
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C[NH+]1CCCC1	REAL300013620562	0	52	0.0	-64.06	378.57	5.65	-58.41
CCC(CC)(CNC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300013620563	0	53	0.0	-64.16	383.64	7.09	-57.07
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C[NH+]1CCCC1	REAL300013620564	0	57	0.0	-77.75	414.08	8.47	-69.28
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCC1	REAL300013620565	0	54	0.0	-63.04	403.01	8.93	-54.11
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013620566	0	54	0.0	-71.50	392.83	9.39	-62.11
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013620567	0	50	0.0	-72.52	370.02	6.24	-66.28
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)C[NH+]1CCCC1	REAL300013620568	0	51	0.0	-63.86	376.94	7.53	-56.33
CC(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)C[NH+]1CCCC1	REAL300013620569	0	51	0.0	-69.46	364.86	8.67	-60.79
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)C[NH+]1CCCC1	REAL300013620570	0	51	0.0	-69.44	384.05	7.45	-61.99
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013620571	0	51	0.0	-70.53	366.49	8.21	-62.32
CC(C)C[C@H](CNC(=O)NCC(C)C[NH+]1CCCC1)CC(=O)[O-]	REAL300013620572	0	56	0.0	-71.81	404.05	7.88	-63.93
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C[NH+]1CCCC1	REAL300013620573	0	48	0.0	-68.99	369.86	7.68	-61.31
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)C[NH+]2CCCC2)C1	REAL300013620574	0	52	0.0	-76.72	390.51	6.65	-70.07
CC(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013620575	0	53	0.0	-70.03	391.26	5.09	-64.94
CC(CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)C[NH+]1CCCC1	REAL300013620576	0	58	0.0	-80.19	435.97	9.26	-70.93
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C[NH+]1CCCC1	REAL300013620577	0	48	0.0	-72.35	375.81	7.50	-64.85
CC(CNC(=O)N1CCCCC1CCC(=O)[O-])C[NH+]1CCCC1	REAL300013620578	0	54	0.0	-79.35	386.64	9.34	-70.01
CC(CNC(=O)NCCCCCCCC(=O)[O-])C[NH+]1CCCC1	REAL300013620579	0	56	0.0	-73.25	424.04	8.53	-64.72
CC(CNC(=O)NCCCCCCC(=O)[O-])C[NH+]1CCCC1	REAL300013620580	0	53	0.0	-73.77	402.54	7.75	-66.02
CC(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013620581	0	51	0.0	-78.32	368.13	8.73	-69.59
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)C[NH+]2CCCC2)C1	REAL300013620582	0	55	0.0	-82.43	400.30	7.87	-74.56
COCCN(CCC(=O)[O-])C(=O)NCC(C)C[NH+]1CCCC1	REAL300013620583	0	51	0.0	-57.94	387.36	7.15	-50.79
CC(CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013620584	0	57	0.0	-79.74	425.76	9.42	-70.32
CC(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C[NH+]1CCCC1	REAL300013620585	0	54	0.0	-77.44	393.65	9.42	-68.02
CC(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013620586	0	52	0.0	-79.96	385.89	10.72	-69.24
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC(C)C[NH+]2CCCC2)CCO1	REAL300013620587	0	59	0.0	-67.80	442.17	7.66	-60.14
CC(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013620588	0	49	0.0	-69.21	365.60	6.63	-62.58
CC(CNC(=O)N1CC(C(=O)[O-])CCC1C)C[NH+]1CCCC1	REAL300013620589	0	51	0.0	-60.31	368.52	8.55	-51.76
CC(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013620590	0	55	0.0	-66.31	415.42	10.56	-55.75
CC(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013620591	0	49	0.0	-75.08	362.92	5.54	-69.54
CC(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C[NH+]1CCCC1	REAL300013620592	0	52	0.0	-72.11	396.95	8.73	-63.38
CC(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C[NH+]1CCCC1	REAL300013620593	0	55	0.0	-74.70	403.84	7.77	-66.93
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)C[NH+]2CCCC2)CC1	REAL300013620594	0	55	0.0	-71.26	397.99	7.33	-63.93
CC(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C[NH+]1CCCC1	REAL300013620595	0	57	0.0	-64.71	399.83	8.25	-56.46
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013620596	0	51	0.0	-67.11	373.38	7.65	-59.46
CC(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013620597	0	54	0.0	-75.59	398.41	7.99	-67.60
CC(CNC(=O)N1CCC(CC(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013620598	0	51	0.0	-65.86	370.52	8.61	-57.25
CC(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013620599	0	52	0.0	-72.35	387.15	8.04	-64.31
CC(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013620600	0	51	0.0	-71.33	379.19	7.28	-64.05
CC(CNC(=O)NC1CCCC(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013620601	0	51	0.0	-69.09	373.46	7.67	-61.42
CC(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C[NH+]1CCCC1	REAL300013620602	0	52	0.0	-64.43	383.90	6.07	-58.36
CC(CNC(=O)NCC1(C(=O)[O-])CCOC1)C[NH+]1CCCC1	REAL300013620603	0	49	0.0	-60.83	365.62	4.81	-56.02
CC(CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C[NH+]1CCCC1	REAL300013620604	0	60	0.0	-73.45	450.44	9.88	-63.57
CC(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C[NH+]1CCCC1	REAL300013620605	0	52	0.0	-65.14	381.06	8.74	-56.40
CC(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C[NH+]1CCCC1	REAL300013620606	0	48	0.0	-67.17	373.27	7.81	-59.36
CC(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013620607	0	49	0.0	-78.41	361.17	7.21	-71.20
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)C[NH+]2CCCC2)C1	REAL300013620608	0	52	0.0	-76.83	386.12	6.96	-69.87
CC(CNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C[NH+]1CCCC1	REAL300013620609	0	57	0.0	-81.07	431.59	6.47	-74.60
O=C([O-])C1CCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CC1	REAL300013620610	0	52	0.0	-81.57	395.50	10.11	-71.46
O=C([O-])C1=CC=C(CNC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)C=C1	REAL300013620611	0	52	0.0	-85.59	419.65	9.75	-75.84
O=C([O-])C1CN(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CCO1	REAL300013620612	0	50	0.0	-86.91	388.61	8.56	-78.35
O=C([O-])C1CCC(NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CC1	REAL300013620613	0	55	0.0	-76.83	416.54	9.80	-67.03
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CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CC1	REAL300013620621	0	55	0.0	-83.55	409.14	10.42	-73.13
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CC1CCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CC1C(=O)[O-]	REAL300013620623	0	55	0.0	-68.55	406.24	10.33	-58.22
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CC(C)(CCNC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013620625	0	54	0.0	-80.46	414.91	8.47	-71.99
CCC(CC)(CNC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013620626	0	57	0.0	-71.99	422.51	9.44	-62.55
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CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CC1	REAL300013620636	0	55	0.0	-83.55	409.14	10.42	-73.13
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CC(=O)N1CCN(C2=CC(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=[NH+]2)CC1	REAL300013620763	1	55	0.0	-84.89	418.35	6.73	-78.16
CC(=O)N1CCN(C2=CC(CNC(=O)NC3CC(C(=O)[O-])C3)=CC=[NH+]2)CC1	REAL300013620764	1	52	0.0	-76.87	410.14	4.90	-71.97
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CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300013620986	0	52	0.0	-61.79	380.06	9.54	-52.25
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	REAL300013620987	0	52	0.0	-73.95	375.56	8.98	-64.97
CC1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1C(=O)[O-]	REAL300013620988	0	52	0.0	-61.54	372.36	8.91	-52.63
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CCOCC1	REAL300013620989	0	53	0.0	-66.11	388.27	6.38	-59.73
CC(C)(CCNC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013620990	0	51	0.0	-71.68	381.45	7.09	-64.59
CCC(CC)(CNC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013620991	0	54	0.0	-64.62	391.10	8.23	-56.39
CC(C)C(CNC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013620992	0	51	0.0	-67.17	383.95	7.37	-59.80
CC(NC(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013620993	0	58	0.0	-75.65	422.78	8.77	-66.88
CC(CNC(=O)NC1CC[NH+](CC2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013620994	0	55	0.0	-67.00	417.04	9.53	-57.47
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O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[NH+](CC3CC3)CC1)C2	REAL300013620997	0	51	0.0	-74.94	377.51	6.61	-68.33
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CCCC1	REAL300013620998	0	52	0.0	-64.42	386.63	8.26	-56.16
CC1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CCC1C(=O)[O-]	REAL300013620999	0	52	0.0	-71.62	375.18	9.41	-62.21
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CCC1	REAL300013621000	0	49	0.0	-64.36	369.55	7.42	-56.94
O=C([O-])CC(CNC(=O)NC1CC[NH+](CC2CC2)CC1)C1CC1	REAL300013621001	0	52	0.0	-73.77	393.67	8.19	-65.58
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	REAL300013621002	0	52	0.0	-73.95	375.56	8.98	-64.97
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)CC(=O)[O-]	REAL300013621003	0	57	0.0	-70.73	414.68	8.59	-62.14
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300013621004	0	49	0.0	-70.88	379.55	8.42	-62.46
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300013621005	0	53	0.0	-78.72	400.04	7.54	-71.18
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CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC3CC[NH+](CC4CC4)CC3)C2)C=N1	REAL300013621007	0	59	0.0	-66.47	445.41	9.95	-56.52
O=C([O-])[C@@H]1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300013621008	0	49	0.0	-61.66	362.91	8.69	-52.97
O=C([O-])[C@H]1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300013621009	0	49	0.0	-62.12	362.77	8.67	-53.45
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](CC3CC3)CC2)=CC=C1	REAL300013621010	0	49	0.0	-77.06	385.93	8.30	-68.76
COC(=O)C1CC2(C1)CN(C(=O)NC1CC[NH+](CC3CC3)CC1)CC2C(=O)[O-]	REAL300013621011	0	59	0.0	-70.96	446.47	10.19	-60.77
O=C([O-])CCC1CCCCN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300013621012	0	55	0.0	-78.05	396.30	10.07	-67.98
O=C([O-])CCCCCCCNC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300013621013	0	57	0.0	-76.37	434.16	9.33	-67.04
O=C([O-])CCCCCCNC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300013621014	0	54	0.0	-76.90	412.66	8.55	-68.35
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300013621015	0	52	0.0	-78.75	377.58	9.43	-69.32
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300013621016	0	56	0.0	-81.92	409.11	9.21	-72.71
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300013621017	0	52	0.0	-60.98	397.48	7.95	-53.03
O=C([O-])[C@]12CN(C(=O)NC3CC[NH+](CC4CC4)CC3)C[C@H]1C1=CC=CC=C1OC2	REAL300013621018	0	58	0.0	-81.30	433.34	9.89	-71.41
O=C([O-])CCC1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300013621019	0	55	0.0	-77.56	403.07	10.11	-67.45
O=C([O-])C1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC2=CC=CC=C21	REAL300013621020	0	53	0.0	-78.05	395.35	11.44	-66.61
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CCO1	REAL300013621021	0	60	0.0	-68.90	452.31	8.33	-60.57
O=C([O-])C(=O)N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	REAL300013621022	0	50	0.0	-69.31	375.11	7.47	-61.84
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[NH+](CC2CC2)CC1	REAL300013621023	0	52	0.0	-62.62	379.35	9.29	-53.33
O=C([O-])[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1C1=CC=CC=C1	REAL300013621024	0	56	0.0	-67.12	427.13	11.30	-55.82
O=C([O-])C1(O)CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300013621025	0	50	0.0	-75.75	372.35	6.23	-69.52
O=C([O-])C1CC(NC(=O)NC2CC[NH+](CC3CC3)CC2)C2=CC=CC=C21	REAL300013621026	0	53	0.0	-73.20	404.13	9.30	-63.90
O=C([O-])CN1CCCCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)C1=O	REAL300013621027	0	56	0.0	-84.52	415.31	8.47	-76.05
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	REAL300013621028	0	56	0.0	-75.87	406.31	8.84	-67.03
O=C([O-])C12CC(NC(=O)NC3CC[NH+](CC4CC4)CC3)(C1)C2	REAL300013621029	0	47	0.0	-77.25	363.38	7.00	-70.25
O=C([O-])CC1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CCCCC1	REAL300013621030	0	58	0.0	-70.15	409.56	8.99	-61.16
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1	REAL300013621031	0	52	0.0	-69.10	381.47	8.17	-60.93
O=C([O-])[C@H]1CC[C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)CC1	REAL300013621032	0	55	0.0	-77.53	405.64	8.46	-69.07
O=C([O-])CC1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	REAL300013621033	0	52	0.0	-75.35	380.48	9.34	-66.01
O=C([O-])COC1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1	REAL300013621034	0	53	0.0	-75.90	397.04	8.75	-67.15
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300013621035	0	52	0.0	-73.55	385.38	7.72	-65.83
O=C([O-])C1CCCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300013621036	0	52	0.0	-69.88	384.13	8.41	-61.47
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CCCOC1	REAL300013621037	0	53	0.0	-64.16	390.50	6.57	-57.59
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CCOC1	REAL300013621038	0	50	0.0	-64.74	375.31	5.54	-59.20
CC(C)(CC1=CC=C(CNC(=O)NC2CC[NH+](CC3CC3)CC2)C=C1)C(=O)[O-]	REAL300013621039	0	61	0.0	-75.86	461.15	10.69	-65.17
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1CC[NH+](CC3CC3)CC1)C2	REAL300013621040	0	47	0.0	-72.86	362.41	7.22	-65.64
O=C([O-])C1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC12CCC2	REAL300013621041	0	53	0.0	-66.81	390.42	9.48	-57.33
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300013621042	0	49	0.0	-68.74	382.67	8.52	-60.22
CC1(C(=O)[O-])CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CCO1	REAL300013621043	0	50	0.0	-79.19	370.55	7.91	-71.28
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300013621044	0	53	0.0	-62.74	395.39	7.70	-55.04
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1CC[NH+](CC3CC3)CC1)C2	REAL300013621045	0	47	0.0	-77.19	364.06	7.50	-69.69
CC1=[NH+]C=CN1CCCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013621060	1	43	0.0	-72.24	362.22	7.17	-65.07
CC1=[NH+]C=CN1CCCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013621061	1	46	0.0	-63.99	360.43	7.29	-56.70
CC1=[NH+]C=CN1CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013621062	1	43	0.0	-72.64	362.23	7.17	-65.47
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013621063	1	53	0.0	-68.54	410.72	10.64	-57.90
CC1=[NH+]C=CN1CCCNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013621064	1	46	0.0	-74.02	360.46	8.16	-65.86
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013621065	1	46	0.0	-69.85	352.38	7.86	-61.99
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013621066	1	46	0.0	-73.27	354.36	7.98	-65.29
CC1=[NH+]C=CN1CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013621067	1	47	0.0	-62.01	364.54	5.23	-56.78
CCC(CC)(CNC(=O)NCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300013621068	1	48	0.0	-60.63	367.40	7.08	-53.55
CC1=[NH+]C=CN1CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013621069	1	52	0.0	-73.19	397.27	7.64	-65.55
CC1=[NH+]C=CN1CCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013621070	1	49	0.0	-62.73	393.33	8.39	-54.34
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013621071	1	49	0.0	-70.26	378.97	9.01	-61.25
CC1=[NH+]C=CN1CCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013621072	1	45	0.0	-69.98	356.67	5.72	-64.26
CC1=[NH+]C=CN1CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013621073	1	46	0.0	-62.04	362.92	7.11	-54.93
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013621074	1	46	0.0	-66.70	351.53	8.28	-58.42
CC1=[NH+]C=CN1CCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013621075	1	46	0.0	-70.05	369.96	7.05	-63.00
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013621076	1	46	0.0	-69.85	352.38	7.86	-61.99
CC1=[NH+]C=CN1CCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013621077	1	51	0.0	-67.22	390.97	7.45	-59.77
CC1=[NH+]C=CN1CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013621078	1	43	0.0	-67.69	355.84	7.28	-60.41
COCC1(C(=O)[O-])CCN(C(=O)NCCCN2C=C[NH+]=C2C)C1	REAL300013621079	1	47	0.0	-72.18	376.17	6.25	-65.93
CC1=[NH+]C=CN1CCCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013621081	1	53	0.0	-72.04	416.46	9.02	-63.02
CC1=[NH+]C=CN1CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013621082	1	43	0.0	-72.64	362.23	7.17	-65.47
COC(=O)C1CC2(C1)CN(C(=O)NCCCN1C=C[NH+]=C1C)CC2C(=O)[O-]	REAL300013621083	1	53	0.0	-59.16	417.89	8.87	-50.29
CC1=[NH+]C=CN1CCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013621084	1	49	0.0	-76.51	372.30	8.93	-67.58
CC1=[NH+]C=CN1CCCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013621085	1	51	0.0	-72.14	410.45	8.20	-63.94
CC1=[NH+]C=CN1CCCNC(=O)NCCCCCCC(=O)[O-]	REAL300013621086	1	48	0.0	-72.95	388.95	7.41	-65.54
CC1=[NH+]C=CN1CCCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013621087	1	46	0.0	-74.42	353.79	8.31	-66.11
COCC1(C(=O)[O-])CCCN(C(=O)NCCCN2C=C[NH+]=C2C)C1	REAL300013621088	1	50	0.0	-78.77	385.96	7.45	-71.32
COCCN(CCC(=O)[O-])C(=O)NCCCN1C=C[NH+]=C1C	REAL300013621089	1	46	0.0	-56.26	373.77	6.82	-49.44
CC1=[NH+]C=CN1CCCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013621090	1	52	0.0	-75.78	412.19	9.05	-66.73
CC1=[NH+]C=CN1CCCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013621091	1	49	0.0	-73.84	379.28	8.99	-64.85
CC1=[NH+]C=CN1CCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013621092	1	47	0.0	-75.30	371.55	10.31	-64.99
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCCN2C=C[NH+]=C2C)CCO1	REAL300013621093	1	54	0.0	-63.76	427.09	8.21	-55.55
CC1=[NH+]C=CN1CCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013621094	1	44	0.0	-64.25	351.46	6.32	-57.93
CC1=[NH+]C=CN1CCCNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013621095	1	46	0.0	-56.74	354.18	8.15	-48.59
CC1=[NH+]C=CN1CCCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013621096	1	50	0.0	-62.78	401.61	10.16	-52.62
CC1=[NH+]C=CN1CCCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013621097	1	44	0.0	-71.34	348.54	5.12	-66.22
CC1=[NH+]C=CN1CCCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013621098	1	47	0.0	-68.23	380.42	8.19	-60.04
CC1=[NH+]C=CN1CCCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013621099	1	50	0.0	-81.99	390.54	7.40	-74.59
COCC1(C(=O)[O-])CCN(C(=O)NCCCN2C=C[NH+]=C2C)CC1	REAL300013621100	1	50	0.0	-71.24	382.53	7.72	-63.52
CC1=[NH+]C=CN1CCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013621101	1	52	0.0	-63.34	385.57	7.85	-55.49
CC1=[NH+]C=CN1CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013621102	1	46	0.0	-64.01	360.42	7.30	-56.71
CC1=[NH+]C=CN1CCCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013621103	1	49	0.0	-72.04	384.60	7.58	-64.46
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013621104	1	46	0.0	-63.95	356.66	8.24	-55.71
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013621105	1	47	0.0	-72.66	373.20	7.61	-65.05
CC1=[NH+]C=CN1CCCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013621106	1	46	0.0	-68.21	364.85	6.87	-61.34
CC1=[NH+]C=CN1CCCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013621107	1	46	0.0	-65.16	360.42	7.28	-57.88
CC1=[NH+]C=CN1CCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013621108	1	47	0.0	-64.20	369.67	5.71	-58.49
CC1=[NH+]C=CN1CCCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013621109	1	44	0.0	-60.39	351.60	4.40	-55.99
CC1=[NH+]C=CN1CCCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013621110	1	55	0.0	-71.72	437.48	9.55	-62.17
CC1=[NH+]C=CN1CCCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013621111	1	47	0.0	-62.36	367.94	8.38	-53.98
CC1=[NH+]C=CN1CCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013621112	1	43	0.0	-63.94	358.39	7.41	-56.53
CC1=[NH+]C=CN1CCCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013621113	1	44	0.0	-74.52	346.83	6.80	-67.72
COC1CC(C(=O)[O-])CN(C(=O)NCCCN2C=C[NH+]=C2C)C1	REAL300013621114	1	47	0.0	-58.81	370.01	6.64	-52.17
CC1=[NH+]C=CN1CCCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013621115	1	52	0.0	-79.73	417.48	6.10	-73.63
CC(C)OC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013621178	1	52	0.0	-36.92	402.34	7.12	-29.80
CN(C)C(=O)COC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013621252	1	56	0.0	-46.41	441.58	7.12	-39.29
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2OC2CCCC2)CC1	REAL300013621320	1	56	0.0	-36.43	426.98	8.49	-27.94
O=C([O-])C1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC1	REAL300013621360	1	53	0.0	-77.95	402.74	8.28	-69.67
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C=C1	REAL300013621361	1	53	0.0	-79.31	426.82	7.92	-71.39
O=C([O-])C1CN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCO1	REAL300013621362	1	51	0.0	-81.25	395.85	6.75	-74.50
O=C([O-])C1CCC(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC1	REAL300013621363	1	56	0.0	-70.04	425.03	8.04	-62.00
O=C([O-])CCCCNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013621364	1	52	0.0	-79.16	410.57	6.59	-72.57
O=C([O-])C1=CC(CNC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)=CC=C1	REAL300013621365	1	53	0.0	-81.82	426.83	7.91	-73.91
O=C([O-])CCNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013621366	1	46	0.0	-76.60	367.58	5.02	-71.58
O=C([O-])CCCCCNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013621367	1	55	0.0	-77.80	432.07	7.37	-70.43
CC(C)(CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300013621368	1	52	0.0	-79.36	402.43	6.49	-72.87
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621369	1	53	0.0	-83.92	407.08	7.93	-75.99
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621370	1	56	0.0	-65.41	419.25	9.12	-56.29
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC1	REAL300013621371	1	56	0.0	-80.13	416.38	8.59	-71.54
O=C([O-])CCCNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013621372	1	49	0.0	-74.00	389.08	5.81	-68.19
CC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC1C(=O)[O-]	REAL300013621373	1	56	0.0	-65.57	413.34	8.53	-57.04
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCOCC1	REAL300013621374	1	57	0.0	-70.20	430.16	5.79	-64.41
CC(C)(CCNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300013621375	1	55	0.0	-74.77	422.36	6.70	-68.07
CCC(CC)(CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300013621376	1	58	0.0	-68.60	434.67	7.49	-61.11
CC(CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300013621377	1	49	0.0	-78.11	386.12	5.77	-72.34
CC(C)C(CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300013621378	1	55	0.0	-73.32	424.86	6.96	-66.36
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621379	1	53	0.0	-70.57	410.49	7.06	-63.51
O=C([O-])CCC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC1	REAL300013621380	1	59	0.0	-78.93	443.59	9.76	-69.17
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1=CC=CC(C[NH+]3CCOCC3)=C1)C2	REAL300013621381	1	55	0.0	-76.70	421.10	6.47	-70.23
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCCC1	REAL300013621382	1	56	0.0	-72.69	427.53	7.86	-64.83
CC1CN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCC1C(=O)[O-]	REAL300013621383	1	56	0.0	-76.29	416.15	9.02	-67.27
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCC1	REAL300013621384	1	53	0.0	-70.08	410.46	7.02	-63.06
O=C([O-])CC(CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C1CC1	REAL300013621385	1	56	0.0	-77.30	434.59	7.79	-69.51
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC1	REAL300013621386	1	56	0.0	-80.13	416.38	8.59	-71.54
CC(C)C[C@H](CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)CC(=O)[O-]	REAL300013621387	1	61	0.0	-74.35	455.58	8.24	-66.11
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013621388	1	53	0.0	-79.90	420.46	8.02	-71.88
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621389	1	57	0.0	-83.30	440.80	6.98	-76.32
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621390	1	50	0.0	-73.16	394.51	6.37	-66.79
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(CN3CCOCC3)=C2)CC1	REAL300013621391	1	58	0.0	-37.13	442.01	5.36	-31.77
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621392	1	53	0.0	-62.76	403.02	8.27	-54.49
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621393	1	53	0.0	-80.86	403.58	8.30	-72.56
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621394	1	50	0.0	-75.38	394.53	6.38	-69.00
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621395	1	50	0.0	-76.42	394.45	6.42	-70.00
O=C([O-])C1=CC(CNC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)=CC=C1	REAL300013621396	1	53	0.0	-81.82	426.83	7.91	-73.91
CCC(CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300013621397	1	52	0.0	-68.84	408.08	6.48	-62.36
O=C([O-])CCC1CCCCN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013621398	1	59	0.0	-86.79	436.91	9.68	-77.11
O=C([O-])CCCCCCCNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013621399	1	61	0.0	-79.82	475.07	8.94	-70.88
O=C([O-])CCCCCCNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013621400	1	58	0.0	-80.80	453.57	8.15	-72.65
CN(CCCC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013621401	1	52	0.0	-77.89	406.70	8.22	-69.67
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621402	1	56	0.0	-82.34	418.40	9.07	-73.27
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013621403	1	56	0.0	-65.21	438.39	7.57	-57.64
O=C([O-])CCC1CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621404	1	59	0.0	-82.06	443.89	9.74	-72.32
O=C([O-])C(=O)N1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC1	REAL300013621405	1	54	0.0	-71.55	416.08	7.07	-64.48
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013621406	1	56	0.0	-63.61	418.80	8.90	-54.71
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621407	1	54	0.0	-78.82	413.18	5.86	-72.96
O=C([O-])C12CC(NC(=O)NCC3=CC=CC(C[NH+]4CCOCC4)=C3)(C1)C2	REAL300013621408	1	51	0.0	-81.06	404.28	6.61	-74.45
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC1	REAL300013621409	1	56	0.0	-70.04	425.04	8.04	-62.00
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC1	REAL300013621410	1	59	0.0	-79.29	449.23	8.31	-70.98
O=C([O-])CC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC1	REAL300013621411	1	56	0.0	-72.08	421.28	8.99	-63.09
O=C([O-])COC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC1	REAL300013621412	1	57	0.0	-81.43	437.82	8.37	-73.06
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621413	1	56	0.0	-76.53	429.47	7.60	-68.93
O=C([O-])C1CCCC(NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621414	1	56	0.0	-76.33	428.95	7.60	-68.73
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCCOC1	REAL300013621415	1	57	0.0	-70.86	434.29	6.45	-64.41
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCOC1	REAL300013621416	1	54	0.0	-67.29	416.22	5.15	-62.14
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=CC(C[NH+]3CCOCC3)=C1)C2	REAL300013621417	1	51	0.0	-76.54	405.69	7.10	-69.44
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC1	REAL300013621418	1	50	0.0	-68.66	394.72	6.76	-61.90
O=C([O-])C1CN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CC12CCC2	REAL300013621419	1	57	0.0	-69.73	432.56	9.12	-60.61
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCO1	REAL300013621420	1	54	0.0	-82.27	411.39	7.54	-74.73
O=C([O-])C1CN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621421	1	47	0.0	-70.19	375.32	6.58	-63.61
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621422	1	57	0.0	-65.58	435.35	7.43	-58.15
O=C([O-])C1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013621423	1	50	0.0	-79.12	390.20	7.39	-71.73
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=CC(C[NH+]3CCOCC3)=C1)C2	REAL300013621424	1	51	0.0	-80.00	405.30	7.12	-72.88
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013621425	1	52	0.0	-73.90	408.83	6.83	-67.07
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC3=CC(Cl)=CC=C3S2)CC1	REAL300013621481	1	44	0.0	-37.83	381.21	6.17	-31.66
O=C([O-])CCCCNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300013621519	1	56	0.0	-81.77	449.08	8.07	-73.70
O=C([O-])CCNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300013621520	1	50	0.0	-78.51	406.08	6.50	-72.01
CC(C)(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013621521	1	56	0.0	-81.73	441.52	7.95	-73.78
O=C([O-])CCCNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300013621522	1	53	0.0	-76.21	427.58	7.29	-68.92
CC(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013621523	1	53	0.0	-79.65	423.75	7.24	-72.41
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3Cl)CC2)C1	REAL300013621524	1	54	0.0	-77.34	426.38	7.49	-69.85
O=C([O-])C1CC(NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3Cl)CC2)C1	REAL300013621525	1	54	0.0	-76.86	433.05	7.86	-69.00
O=C([O-])[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3Cl)CC2)C1	REAL300013621526	1	54	0.0	-78.90	432.59	7.90	-71.00
CCC(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013621527	1	56	0.0	-69.46	441.66	8.18	-61.28
CN(CCCC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300013621528	1	56	0.0	-80.83	445.21	9.68	-71.15
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3Cl)CC2)CC1	REAL300013621529	1	54	0.0	-66.17	426.57	7.75	-58.42
O=C([O-])C1CN(C(=O)NCCC[NH+]2CCN(C3=CC=CC=C3Cl)CC2)C1	REAL300013621530	1	51	0.0	-72.39	407.32	7.78	-64.61
O=C([O-])C1CCN(C(=O)NCCC[NH+]2CCN(C3=CC=CC=C3Cl)CC2)C1	REAL300013621531	1	54	0.0	-80.28	422.43	8.50	-71.78
CC(CCC(=O)[O-])NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300013621532	1	56	0.0	-74.45	447.34	8.31	-66.14
CCCOC1=NC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013621564	1	51	0.0	-37.83	402.13	4.72	-33.11
CCCCOC1=NC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013621639	1	54	0.0	-37.71	423.62	5.50	-32.21
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300013621713	1	51	0.0	-38.41	414.89	8.82	-29.59
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=COC(C3=CC=CS3)=N2)CC1	REAL300013621780	1	45	0.0	-39.28	380.82	3.62	-35.66
CC(C)CC(=O)NC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013621854	1	58	0.0	-40.48	447.85	7.34	-33.14
COCC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013621889	0	49	0.0	-71.06	363.02	6.30	-64.76
COCC[NH+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013621890	0	49	0.0	-75.46	386.99	5.95	-69.51
COCC[NH+]1CCC(NC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013621891	0	47	0.0	-75.93	356.00	4.77	-71.16
COCC[NH+]1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013621892	0	52	0.0	-75.68	389.64	5.61	-70.07
COCC[NH+]1CCC(NC(=O)NCCCCC(=O)[O-])CC1	REAL300013621893	0	48	0.0	-73.29	370.75	4.63	-68.66
COCC[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013621894	0	49	0.0	-75.40	387.01	5.93	-69.47
COCC[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013621895	0	51	0.0	-72.57	392.25	5.41	-67.16
COCC[NH+]1CCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013621896	0	59	0.0	-72.60	435.62	9.46	-63.14
COCC[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013621897	0	48	0.0	-73.29	362.61	4.52	-68.77
COCC[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013621898	0	49	0.0	-73.03	370.06	5.88	-67.15
COCC[NH+]1CCC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013621899	0	52	0.0	-61.10	384.17	6.87	-54.23
COCC[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013621900	0	52	0.0	-73.47	376.63	6.61	-66.86
COCC[NH+]1CCC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013621901	0	52	0.0	-75.53	373.58	6.56	-68.97
COCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013621902	0	53	0.0	-62.59	390.31	3.83	-58.76
COCC[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013621903	0	51	0.0	-70.10	381.95	4.71	-65.39
CCC(CC)(CNC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300013621904	0	54	0.0	-61.96	390.14	5.69	-56.27
COCC[NH+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013621905	0	51	0.0	-63.39	378.35	5.15	-58.24
COCC[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013621906	0	58	0.0	-75.01	426.07	6.93	-68.08
COCC[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013621907	0	55	0.0	-66.24	418.13	7.16	-59.08
COCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013621908	0	49	0.0	-69.55	370.64	5.11	-64.44
COCC[NH+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013621909	0	55	0.0	-73.56	403.84	7.76	-65.80
COCC[NH+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013621910	0	51	0.0	-73.00	381.05	4.44	-68.56
COCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013621911	0	52	0.0	-64.48	387.71	5.90	-58.58
COCC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013621912	0	52	0.0	-70.26	376.43	7.04	-63.22
COCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013621913	0	49	0.0	-63.04	370.62	5.05	-57.99
COCC[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013621914	0	52	0.0	-71.62	394.75	5.82	-65.80
COCC[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013621915	0	52	0.0	-73.47	376.63	6.61	-66.86
COCC[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013621916	0	57	0.0	-67.26	420.99	6.41	-60.85
COCC[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013621917	0	49	0.0	-69.22	380.61	6.05	-63.17
COCC[NH+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])C2)CC1	REAL300013621918	0	53	0.0	-76.55	401.11	5.18	-71.37
COCC[NH+]1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013621919	0	54	0.0	-71.20	402.33	3.41	-67.79
COCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)CC1	REAL300013621920	0	59	0.0	-78.69	446.48	7.60	-71.09
COCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013621921	0	49	0.0	-60.65	363.26	6.29	-54.36
COCC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013621922	0	49	0.0	-75.56	363.66	6.34	-69.22
COCC[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013621923	0	49	0.0	-75.40	387.01	5.93	-69.47
COCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)CC1	REAL300013621924	0	59	0.0	-69.64	447.45	7.80	-61.84
CCC(CNC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300013621925	0	48	0.0	-64.78	368.25	4.51	-60.27
COCC[NH+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013621926	0	55	0.0	-75.93	397.08	7.70	-68.23
COCC[NH+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013621927	0	57	0.0	-74.38	435.24	6.97	-67.41
COCC[NH+]1CCC(NC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013621928	0	54	0.0	-74.87	413.75	6.19	-68.68
COCC[NH+]1CCC(NC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013621929	0	48	0.0	-73.27	366.88	6.22	-67.05
COCC[NH+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013621930	0	52	0.0	-76.73	378.64	7.06	-69.67
COCC[NH+]1CCC(NC(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300013621931	0	56	0.0	-80.89	410.83	6.22	-74.67
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](CCOC)CC1	REAL300013621932	0	52	0.0	-60.34	398.56	5.59	-54.75
COCC[NH+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013621933	0	55	0.0	-75.06	404.13	7.75	-67.31
COCC[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013621934	0	53	0.0	-75.63	396.40	9.07	-66.56
COCC[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013621935	0	50	0.0	-67.07	375.96	5.14	-61.93
COCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013621936	0	52	0.0	-61.80	380.42	6.92	-54.88
COCC[NH+]1CCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013621937	0	56	0.0	-66.41	426.49	8.91	-57.50
COCC[NH+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013621938	0	50	0.0	-73.62	373.36	3.86	-69.76
COCC[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013621939	0	53	0.0	-71.50	405.21	6.94	-64.56
COCC[NH+]1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013621940	0	56	0.0	-81.42	415.33	6.14	-75.28
COCC[NH+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300013621941	0	56	0.0	-76.84	408.48	5.74	-71.10
COCC[NH+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013621942	0	47	0.0	-75.31	364.46	4.63	-70.68
COCC[NH+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013621943	0	58	0.0	-69.70	410.47	6.62	-63.08
COCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013621944	0	52	0.0	-67.51	383.89	6.01	-61.50
COCC[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013621945	0	55	0.0	-75.07	409.38	6.36	-68.71
COCC[NH+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013621946	0	52	0.0	-73.17	381.53	6.98	-66.19
COCC[NH+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013621947	0	53	0.0	-74.10	398.09	6.39	-67.71
COCC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013621948	0	52	0.0	-70.84	389.64	5.62	-65.22
COCC[NH+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013621949	0	52	0.0	-68.35	385.21	6.05	-62.30
COCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013621950	0	53	0.0	-62.54	391.57	4.22	-58.32
COCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013621951	0	50	0.0	-63.41	376.37	3.18	-60.23
COCC[NH+]1CCC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013621952	0	61	0.0	-74.84	461.62	8.33	-66.51
COCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013621953	0	47	0.0	-70.65	365.98	5.06	-65.59
COCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013621954	0	53	0.0	-65.43	391.48	7.12	-58.31
COCC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013621955	0	49	0.0	-66.47	383.18	6.16	-60.31
COCC[NH+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013621956	0	50	0.0	-76.91	371.60	5.54	-71.37
COCC[NH+]1CCC(NC(=O)N2CC(OC)CC(C(=O)[O-])C2)CC1	REAL300013621957	0	53	0.0	-62.06	396.62	5.31	-56.75
COCC[NH+]1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013621958	0	47	0.0	-75.10	365.12	5.14	-69.96
COCC[NH+]1CCC(NC(=O)NC(C)CCC(=O)[O-])CC1	REAL300013621959	0	48	0.0	-66.96	369.01	4.84	-62.12
O=C([O-])C[NH+]1CCC(NC(=O)NCCOCC2=CC=CC=C2Cl)CC1	REAL300013621993	1	49	0.0	-36.71	401.37	6.98	-29.73
CC[NH+](CC)C(CNC(=O)NCCC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300013622035	0	50	0.0	-73.29	388.29	7.62	-65.67
CC[NH+](CC)C(CNC(=O)NCCCC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300013622036	0	53	0.0	-70.71	409.79	8.42	-62.29
CC[NH+](CC)C(CNC(=O)NCC(C)C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300013622037	0	53	0.0	-74.94	406.83	8.38	-66.56
CC[NH+](CC)C(CNC(=O)N1CC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300013622038	0	51	0.0	-65.49	389.54	9.69	-55.80
CS(=O)(=O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013622099	1	48	0.0	-47.58	393.84	3.79	-43.79
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(N2CCOCC2)C=C1	REAL300013622226	1	58	0.0	-41.68	434.28	5.91	-35.77
C[NH+](C)CCCCCCCNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013622317	0	53	0.0	-72.85	397.03	9.11	-63.74
C[NH+](C)CCCCCCCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013622318	0	53	0.0	-76.51	421.11	8.75	-67.76
C[NH+](C)CCCCCCCNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013622319	0	51	0.0	-66.62	390.15	7.58	-59.04
C[NH+](C)CCCCCCCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013622320	0	56	0.0	-70.93	419.31	8.87	-62.06
C[NH+](C)CCCCCCCNC(=O)NCCCCC(=O)[O-]	REAL300013622321	0	52	0.0	-76.54	404.85	7.42	-69.12
C[NH+](C)CCCCCCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013622322	0	53	0.0	-77.61	421.11	8.73	-68.88
C[NH+](C)CCCCCCCNC(=O)NCCCCCC(=O)[O-]	REAL300013622323	0	55	0.0	-75.18	426.34	8.20	-66.98
C[NH+](C)CCCCCCCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013622324	0	63	0.0	-79.13	473.20	12.57	-66.56
C[NH+](C)CCCCCCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013622325	0	52	0.0	-76.91	397.29	7.30	-69.61
C[NH+](C)CCCCCCCNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013622326	0	53	0.0	-75.56	404.20	8.70	-66.86
CC1CC(C(=O)[O-])CN(C(=O)NCCCCCCC[NH+](C)C)C1	REAL300013622327	0	56	0.0	-64.93	413.98	9.95	-54.98
C[NH+](C)CCCCCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013622328	0	56	0.0	-75.59	410.65	9.43	-66.16
CC1CCN(C(=O)NCCCCCCC[NH+](C)C)CC1C(=O)[O-]	REAL300013622329	0	56	0.0	-66.25	416.87	9.65	-56.60
C[NH+](C)CCCCCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013622330	0	57	0.0	-69.14	423.43	6.82	-62.32
C[NH+](C)CCCCCCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013622331	0	55	0.0	-72.45	416.05	7.51	-64.94
CCC(CC)(CNC(=O)NCCCCCCC[NH+](C)C)C(=O)[O-]	REAL300013622332	0	58	0.0	-69.96	428.94	8.32	-61.64
CC(C)C(CNC(=O)NCCCCCCC[NH+](C)C)C(=O)[O-]	REAL300013622333	0	55	0.0	-68.68	412.88	7.94	-60.74
CC(NC(=O)NCCCCCCC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013622334	0	62	0.0	-79.25	456.18	9.22	-70.03
C[NH+](C)CCCCCCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013622335	0	59	0.0	-70.96	452.21	9.96	-61.00
C[NH+](C)CCCCCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013622336	0	53	0.0	-69.88	404.76	7.90	-61.98
C[NH+](C)CCCCCCCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013622337	0	59	0.0	-76.29	437.87	10.58	-65.71
C[NH+](C)CCCCCCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013622338	0	55	0.0	-77.63	415.52	7.30	-70.33
C[NH+](C)CCCCCCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013622339	0	56	0.0	-69.53	421.80	8.69	-60.84
CC1CN(C(=O)NCCCCCCC[NH+](C)C)CCC1C(=O)[O-]	REAL300013622340	0	56	0.0	-73.19	410.52	9.85	-63.34
C[NH+](C)CCCCCCCNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013622341	0	53	0.0	-67.63	404.73	7.86	-59.77
C[NH+](C)CCCCCCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013622342	0	56	0.0	-76.82	428.85	8.63	-68.19
C[NH+](C)CCCCCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013622343	0	56	0.0	-75.59	410.65	9.43	-66.16
CC(C)C[C@H](CNC(=O)NCCCCCCC[NH+](C)C)CC(=O)[O-]	REAL300013622344	0	61	0.0	-75.35	449.86	9.02	-66.33
C[NH+](C)CCCCCCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013622345	0	53	0.0	-76.01	414.73	8.84	-67.17
COCC1(C(=O)[O-])CCN(C(=O)NCCCCCCC[NH+](C)C)C1	REAL300013622346	0	57	0.0	-79.15	435.07	7.83	-71.32
C[NH+](C)CCCCCCCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013622347	0	58	0.0	-73.72	436.85	6.29	-67.43
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCCCCCCC[NH+](C)C)C2)C=N1	REAL300013622348	0	63	0.0	-81.88	475.35	10.59	-71.29
C[NH+](C)CCCCCCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013622349	0	53	0.0	-64.40	397.29	9.11	-55.29
C[NH+](C)CCCCCCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013622350	0	53	0.0	-65.70	398.53	9.16	-56.54
C[NH+](C)CCCCCCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013622351	0	53	0.0	-77.61	421.11	8.73	-68.88
CCC(CNC(=O)NCCCCCCC[NH+](C)C)C(=O)[O-]	REAL300013622352	0	52	0.0	-69.80	402.35	7.30	-62.50
C[NH+](C)CCCCCCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013622353	0	59	0.0	-84.05	431.21	10.51	-73.54
C[NH+](C)CCCCCCCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013622354	0	61	0.0	-76.99	469.34	9.76	-67.23
C[NH+](C)CCCCCCCNC(=O)NCCCCCCC(=O)[O-]	REAL300013622355	0	58	0.0	-77.81	447.84	8.98	-68.83
CN(CCCC(=O)[O-])C(=O)NCCCCCCC[NH+](C)C	REAL300013622356	0	52	0.0	-77.81	400.97	9.03	-68.78
C[NH+](C)CCCCCCCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013622357	0	56	0.0	-79.20	412.68	9.89	-69.31
COCC1(C(=O)[O-])CCCN(C(=O)NCCCCCCC[NH+](C)C)C1	REAL300013622358	0	60	0.0	-83.56	444.86	9.04	-74.52
COCCN(CCC(=O)[O-])C(=O)NCCCCCCC[NH+](C)C	REAL300013622359	0	56	0.0	-64.82	432.66	8.39	-56.43
C[NH+](C)CCCCCCCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013622360	0	59	0.0	-78.94	438.17	10.57	-68.37
C[NH+](C)CCCCCCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013622361	0	57	0.0	-84.43	430.46	11.88	-72.55
C[NH+](C)CCCCCCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013622362	0	54	0.0	-68.86	410.35	7.90	-60.96
CC1CCC(C(=O)[O-])CN1C(=O)NCCCCCCC[NH+](C)C	REAL300013622363	0	56	0.0	-64.80	413.24	9.69	-55.11
C[NH+](C)CCCCCCCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013622364	0	60	0.0	-69.15	460.50	11.74	-57.41
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C[NH+](C)CCCCCCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013622370	0	62	0.0	-69.19	444.46	9.42	-59.77
C[NH+](C)CCCCCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013622371	0	56	0.0	-70.91	419.32	8.87	-62.04
C[NH+](C)CCCCCCCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013622372	0	59	0.0	-76.66	443.50	9.16	-67.50
C[NH+](C)CCCCCCCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013622373	0	56	0.0	-75.61	415.55	9.80	-65.81
C[NH+](C)CCCCCCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013622374	0	57	0.0	-76.32	432.09	9.21	-67.11
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C[NH+](C)CCCCCCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013622377	0	57	0.0	-68.05	425.68	7.02	-61.03
C[NH+](C)CCCCCCCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013622378	0	54	0.0	-68.34	410.49	5.97	-62.37
C[NH+](C)CCCCCCCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013622379	0	65	0.0	-75.87	496.37	11.14	-64.73
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C[NH+](C)CCCCCCCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013622381	0	57	0.0	-68.47	426.82	9.95	-58.52
C[NH+](C)CCCCCCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013622382	0	53	0.0	-69.72	417.84	8.99	-60.73
C[NH+](C)CCCCCCCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013622383	0	54	0.0	-79.13	405.71	8.36	-70.77
COC1CC(C(=O)[O-])CN(C(=O)NCCCCCCC[NH+](C)C)C1	REAL300013622384	0	57	0.0	-67.09	428.90	8.22	-58.87
C[NH+](C)CCCCCCCNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013622385	0	51	0.0	-77.56	399.25	7.94	-69.62
CC(CCC(=O)[O-])NC(=O)NCCCCCCC[NH+](C)C	REAL300013622386	0	52	0.0	-70.59	403.10	7.67	-62.92
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CC(C)(CNC(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622560	0	55	0.0	-70.81	394.34	10.27	-60.54
CC(C)(CNC(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622560	1	55	0.0	-68.43	394.12	10.37	-58.06
CC(C)(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622561	0	55	0.0	-75.55	418.44	9.93	-65.62
CC(C)(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622561	1	55	0.0	-75.34	418.20	10.02	-65.32
CC(C)(CNC(=O)N1CCOC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622562	0	53	0.0	-58.30	387.51	8.74	-49.56
CC(C)(CNC(=O)N1CCOC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622562	1	53	0.0	-58.03	387.36	8.86	-49.17
CC(C)(CNC(=O)NC1CCC(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622563	0	58	0.0	-77.38	421.07	9.62	-67.76
CC(C)(CNC(=O)NC1CCC(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622563	1	58	0.0	-76.60	420.83	9.71	-66.89
CC(C)(CNC(=O)NCCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622564	0	54	0.0	-74.62	402.17	8.60	-66.02
CC(C)(CNC(=O)NCCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013622564	1	54	0.0	-73.82	401.94	8.70	-65.12
CC(C)(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622565	0	55	0.0	-74.18	418.44	9.92	-64.26
CC(C)(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622565	1	55	0.0	-73.15	418.21	10.02	-63.13
CC(C)(CNC(=O)NCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622566	0	48	0.0	-70.46	359.17	7.03	-63.43
CC(C)(CNC(=O)NCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013622566	1	48	0.0	-69.43	358.95	7.12	-62.31
CC(C)(CNC(=O)NCCCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622567	0	57	0.0	-73.31	423.67	9.38	-63.93
CC(C)(CNC(=O)NCCCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013622567	1	57	0.0	-72.68	423.44	9.48	-63.20
CC(C)(CNC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013622568	0	54	0.0	-74.32	394.61	8.48	-65.84
CC(C)(CNC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013622568	1	54	0.0	-73.21	394.38	8.58	-64.63
CC(C)(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622569	0	55	0.0	-72.20	399.18	9.96	-62.24
CC(C)(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622569	1	55	0.0	-74.71	398.62	10.05	-64.66
CC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300013622570	0	58	0.0	-54.76	411.35	11.14	-43.62
CC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300013622570	1	58	0.0	-53.89	410.58	11.20	-42.69
CC(C)(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622571	0	58	0.0	-72.39	407.80	10.55	-61.84
CC(C)(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622571	1	58	0.0	-69.79	407.31	10.64	-59.15
CC(C)(CNC(=O)NCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622572	0	51	0.0	-68.24	380.67	7.82	-60.42
CC(C)(CNC(=O)NCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013622572	1	51	0.0	-67.49	380.45	7.91	-59.58
CC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)CC1C(=O)[O-]	REAL300013622573	0	58	0.0	-77.25	404.82	10.49	-66.76
CC1CCN(C(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)CC1C(=O)[O-]	REAL300013622573	1	58	0.0	-76.39	405.80	10.63	-65.76
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622574	0	59	0.0	-58.63	423.13	7.78	-50.85
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622574	1	59	0.0	-60.41	420.53	8.07	-52.34
CC(C)(CCNC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013622575	0	57	0.0	-69.30	413.37	8.70	-60.60
CC(C)(CCNC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013622575	1	57	0.0	-68.54	413.73	8.80	-59.74
CCC(CC)(CNC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013622576	0	60	0.0	-58.55	423.25	9.48	-49.07
CCC(CC)(CNC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013622576	1	60	0.0	-60.63	426.03	9.60	-51.03
CC(CNC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013622577	0	51	0.0	-71.93	376.85	7.76	-64.17
CC(CNC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013622577	1	51	0.0	-70.97	377.49	7.88	-63.09
CC(C)C(CNC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013622578	0	57	0.0	-61.89	416.46	8.98	-52.91
CC(C)C(CNC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013622578	1	57	0.0	-59.97	416.23	9.07	-50.90
CC(C)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622579	0	55	0.0	-65.23	402.13	9.06	-56.17
CC(C)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622579	1	55	0.0	-68.02	401.83	9.20	-58.82
CC(C)(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622580	0	61	0.0	-75.11	435.13	11.74	-63.37
CC(C)(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622580	1	61	0.0	-73.18	434.96	11.85	-61.33
CC(C)(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622581	0	57	0.0	-71.00	412.15	8.54	-62.46
CC(C)(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622581	1	57	0.0	-69.84	412.21	8.56	-61.28
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622582	0	58	0.0	-60.26	419.13	9.87	-50.39
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622582	1	58	0.0	-59.82	418.90	9.97	-49.85
CC1CN(C(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)CCC1C(=O)[O-]	REAL300013622583	0	58	0.0	-70.34	406.80	11.02	-59.32
CC1CN(C(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)CCC1C(=O)[O-]	REAL300013622583	1	58	0.0	-69.26	414.72	10.96	-58.30
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622584	0	55	0.0	-58.16	401.15	9.17	-48.99
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622584	1	55	0.0	-57.32	400.64	9.27	-48.05
CC(C)(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622585	0	58	0.0	-70.22	418.63	10.39	-59.83
CC(C)(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622585	1	58	0.0	-69.37	426.52	9.99	-59.38
CC(C)(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622586	0	58	0.0	-72.39	407.80	10.55	-61.84
CC(C)(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622586	1	58	0.0	-69.79	407.31	10.64	-59.15
CC(C)C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013622587	0	63	0.0	-68.04	447.00	10.20	-57.84
CC(C)C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013622587	1	63	0.0	-65.97	446.70	10.29	-55.68
CC(C)(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622588	0	55	0.0	-65.65	412.04	10.04	-55.61
CC(C)(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013622588	1	55	0.0	-65.16	411.82	10.12	-55.04
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300013622589	0	59	0.0	-71.89	432.68	9.44	-62.45
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300013622589	1	59	0.0	-71.66	429.80	9.77	-61.89
CC(C)(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622590	0	52	0.0	-68.63	385.82	8.37	-60.26
CC(C)(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622590	1	52	0.0	-68.33	385.99	8.49	-59.84
CC(C)(CNC(=O)NC1CCN(CC(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622591	0	60	0.0	-74.67	433.71	7.42	-67.25
CC(C)(CNC(=O)NC1CCN(CC(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622591	1	60	0.0	-71.45	433.71	7.53	-63.92
CC(C)(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622592	0	55	0.0	-77.09	395.32	10.32	-66.77
CC(C)(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622592	1	55	0.0	-54.43	395.11	10.40	-44.03
CC(C)(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622593	0	55	0.0	-55.99	395.84	10.34	-45.65
CC(C)(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622593	1	55	0.0	-55.53	395.63	10.44	-45.09
CC(C)(CNC(=O)NC1CC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622594	0	52	0.0	-68.95	386.16	8.39	-60.56
CC(C)(CNC(=O)NC1CC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622594	1	52	0.0	-68.38	385.69	8.47	-59.91
CC(C)(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622595	0	52	0.0	-71.43	385.68	8.42	-63.01
CC(C)(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622595	1	52	0.0	-70.33	385.74	8.53	-61.80
CC(C)(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013622596	0	55	0.0	-74.18	418.44	9.92	-64.26
CC(C)(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013622596	1	55	0.0	-73.15	418.21	10.02	-63.13
CCC(CNC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013622597	0	54	0.0	-60.78	399.68	8.49	-52.29
CCC(CNC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013622597	1	54	0.0	-60.80	399.44	8.58	-52.22
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CC[NH+](CC)CC(C)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013623600	0	48	0.0	-59.14	341.72	7.38	-51.76
CC[NH+](CC)CC(C)NC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013623601	0	51	0.0	-59.03	365.73	7.09	-51.94
CC[NH+](CC)CC(C)NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013623602	0	56	0.0	-84.04	412.90	6.68	-77.36
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCN(C3=CC=C(F)C(F)=C3)C2)CC1	REAL300013623678	1	54	0.0	-40.41	422.17	6.83	-33.58
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC(CC3=CC=CC=C3)=NO2)CC1	REAL300013623763	1	50	0.0	-38.55	406.11	5.50	-33.05
CC(CC(C)(C)C1=CC=CC=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013623859	1	57	0.0	-35.96	416.87	10.05	-25.91
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300013623935	1	45	0.0	-42.35	388.11	8.06	-34.29
C=C(Br)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013623996	1	36	0.0	-35.01	306.98	4.40	-30.61
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013624031	0	53	0.0	-70.93	403.39	7.53	-63.40
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013624032	0	53	0.0	-73.13	427.90	7.17	-65.96
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013624033	0	51	0.0	-60.52	396.31	6.04	-54.48
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013624034	0	56	0.0	-57.21	426.10	7.30	-49.91
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCCCCC(=O)[O-])CC1	REAL300013624035	0	52	0.0	-71.28	411.64	5.85	-65.43
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013624036	0	53	0.0	-77.93	427.91	7.16	-70.77
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCCC(=O)[O-])CC1	REAL300013624037	0	46	0.0	-66.98	368.65	4.27	-62.71
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013624038	0	55	0.0	-70.43	433.14	6.63	-63.80
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013624039	0	52	0.0	-70.08	403.50	5.74	-64.34
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013624040	0	53	0.0	-71.00	410.96	7.11	-63.89
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)C1	REAL300013624041	0	56	0.0	-58.30	420.52	8.37	-49.93
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013624042	0	56	0.0	-73.54	417.57	7.84	-65.70
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCCCC(=O)[O-])CC1	REAL300013624043	0	49	0.0	-65.25	390.15	5.07	-60.18
CC1CCN(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)CC1C(=O)[O-]	REAL300013624044	0	56	0.0	-59.76	414.37	7.80	-51.96
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013624045	0	57	0.0	-65.92	430.23	5.22	-60.70
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013624046	0	55	0.0	-66.28	423.43	5.95	-60.33
CCC(CC)(CNC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013624047	0	58	0.0	-65.18	433.50	7.10	-58.08
CC(CNC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013624048	0	49	0.0	-69.24	387.20	5.03	-64.21
CC(C)C(CNC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013624049	0	55	0.0	-65.64	425.93	6.22	-59.42
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013624050	0	53	0.0	-63.22	411.55	6.32	-56.90
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013624051	0	59	0.0	-73.02	444.21	8.97	-64.05
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013624052	0	55	0.0	-58.91	422.15	5.72	-53.19
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013624053	0	56	0.0	-65.76	428.61	7.12	-58.64
CC1CN(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)CCC1C(=O)[O-]	REAL300013624054	0	56	0.0	-72.26	416.55	8.31	-63.95
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013624055	0	53	0.0	-63.14	410.61	6.42	-56.72
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013624056	0	56	0.0	-63.71	435.94	7.09	-56.62
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013624057	0	56	0.0	-73.54	417.57	7.84	-65.70
CC(C)C[C@H](CNC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013624058	0	61	0.0	-57.80	456.79	7.48	-50.32
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013624059	0	53	0.0	-73.24	421.52	7.27	-65.97
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)C1	REAL300013624060	0	57	0.0	-74.77	442.00	6.42	-68.35
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013624061	0	50	0.0	-63.27	395.19	5.64	-57.63
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013624063	0	53	0.0	-58.42	404.38	7.54	-50.88
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013624064	0	53	0.0	-72.56	404.14	7.54	-65.02
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013624065	0	50	0.0	-67.87	395.61	5.63	-62.24
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013624066	0	50	0.0	-65.47	395.42	5.68	-59.79
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013624067	0	53	0.0	-77.93	427.91	7.16	-70.77
CCC(CNC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013624068	0	52	0.0	-54.10	409.15	5.73	-48.37
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013624069	0	59	0.0	-76.99	438.32	8.96	-68.03
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013624070	0	61	0.0	-73.13	476.14	8.19	-64.94
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013624071	0	58	0.0	-73.76	454.64	7.41	-66.35
CN(CCCC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300013624072	0	52	0.0	-63.76	407.77	7.46	-56.30
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013624073	0	56	0.0	-73.01	419.02	8.29	-64.72
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300013624074	0	56	0.0	-59.59	439.46	6.82	-52.77
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013624075	0	59	0.0	-74.33	444.51	8.97	-65.36
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013624076	0	54	0.0	-63.37	416.13	6.25	-57.12
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300013624077	0	56	0.0	-53.50	420.76	8.15	-45.35
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013624078	0	54	0.0	-59.15	413.78	5.09	-54.06
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013624079	0	51	0.0	-72.54	405.35	5.86	-66.68
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013624080	0	56	0.0	-68.48	424.78	7.25	-61.23
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013624081	0	59	0.0	-72.33	448.95	7.55	-64.78
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013624082	0	56	0.0	-64.46	421.89	8.19	-56.27
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013624083	0	57	0.0	-75.34	438.46	7.61	-67.73
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013624084	0	56	0.0	-70.11	430.54	6.86	-63.25
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013624085	0	56	0.0	-69.84	429.99	6.85	-62.99
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013624086	0	57	0.0	-62.25	432.48	5.43	-56.82
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013624087	0	54	0.0	-52.80	417.29	4.40	-48.40
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013624088	0	51	0.0	-69.57	406.79	6.36	-63.21
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013624089	0	50	0.0	-60.25	395.79	6.00	-54.25
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013624090	0	57	0.0	-59.72	433.62	8.37	-51.35
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013624091	0	54	0.0	-72.57	412.01	6.78	-65.79
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013624092	0	47	0.0	-59.74	376.39	5.84	-53.90
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CN=C2N2CC[NH+](C)CC2)C1	REAL300013624093	0	57	0.0	-70.28	437.43	6.58	-63.70
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013624094	0	50	0.0	-66.77	391.27	6.66	-60.11
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013624095	0	51	0.0	-70.36	406.00	6.38	-63.98
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1	REAL300013624096	0	52	0.0	-67.23	409.90	6.08	-61.15
O=C([O-])C[NH+]1CCC(NC(=O)NCCCS(=O)(=O)C2=CC=CC=C2)CC1	REAL300013624193	1	51	0.0	-44.70	415.01	4.80	-39.90
CCCCCCCCOCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013624264	1	63	0.0	-36.04	478.86	8.73	-27.31
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCN(C3=CC=C(Cl)C=C3)C2)CC1	REAL300013624337	1	54	0.0	-37.72	426.09	7.24	-30.48
CCN1C2=CC=CC=C2N=C1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013624456	1	54	0.0	-49.01	423.33	8.24	-40.77
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC3=CC=CC=C3O2)CC1	REAL300013624528	1	48	0.0	-41.23	382.53	7.56	-33.67
N#CC1=CC=C(C2=CC=CC(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)S1	REAL300013624603	1	50	0.0	-40.58	421.82	9.47	-31.11
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=CS3)CCCCC2)CC1	REAL300013624670	1	55	0.0	-34.71	413.73	8.98	-25.73
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=CC(F)=C3)CC2)CC1	REAL300013624741	1	49	0.0	-37.80	391.41	8.37	-29.43
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(C3=CC=C(Cl)C=C3)C2=O)CC1	REAL300013624815	1	50	0.0	-44.57	405.21	7.23	-37.34
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=CC(Cl)=C3)CC2)CC1	REAL300013624882	1	49	0.0	-37.01	401.74	8.81	-28.20
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NC=C(C2=CC=CC=C2)O1	REAL300013624985	1	51	0.0	-37.39	408.44	5.67	-31.72
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2OCC2CC2)CC1	REAL300013625082	1	53	0.0	-36.60	415.09	8.11	-28.49
CC1CC(C)CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013625136	1	51	0.0	-35.23	370.12	6.93	-28.30
CC1=CC=C(NCCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300013625193	1	55	0.0	-41.57	436.24	7.53	-34.04
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC(C(F)(F)F)=CS2)CC1	REAL300013625308	1	41	0.0	-39.16	358.88	4.45	-34.71
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3CC=CC3)C=C2)CC1	REAL300013625383	1	52	0.0	-36.28	402.28	6.42	-29.86
CNC(=O)C1=CC=CC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013625458	1	52	0.0	-48.14	411.12	5.32	-42.82
CCC1=CC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013625521	1	48	0.0	-35.40	369.04	7.74	-27.66
CC(CCC1CCCC1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013625577	1	54	0.0	-39.52	400.19	8.42	-31.10
CCC1CCCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013625670	1	51	0.0	-39.10	370.12	7.64	-31.46
O=C([O-])C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C2=CC=CC=C2F)CC1	REAL300013625770	1	55	0.0	-39.71	436.35	11.59	-28.12
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC(F)=CC=C1F	REAL300013625833	1	48	0.0	-37.37	384.34	8.66	-28.71
CC1=CC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(C)=C1	REAL300013625903	1	51	0.0	-41.77	397.46	8.37	-33.40
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC(F)=CC=C2N2CCOCC2)CC1	REAL300013625974	1	55	0.0	-36.81	425.81	5.69	-31.12
CS(=O)(=O)C1CCCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013626041	1	51	0.0	-48.28	394.86	3.29	-44.99
O=C([O-])C[NH+]1CCC(NC(=O)NC(CCCO)C2=CC=CC=C2)CC1	REAL300013626115	1	52	0.0	-37.76	397.39	4.92	-32.84
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC(C3=CC=CO3)=NN2)CC1	REAL300013626330	1	45	0.0	-41.90	370.53	4.23	-37.67
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC(C3=CC=CS3)=NN2)CC1	REAL300013626406	1	45	0.0	-39.71	379.56	5.17	-34.54
CCC1=NOC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013626460	1	44	0.0	-37.64	351.14	5.13	-32.51
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COC1=CC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C	REAL300013626591	1	52	0.0	-43.53	404.22	7.09	-36.44
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CC(NC(=O)N1CCC(C)C(C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013626647	1	59	0.0	-67.73	420.91	8.94	-58.79
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013626648	1	58	0.0	-72.18	439.42	8.04	-64.14
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CC(NC(=O)N1CCC[C@H](C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013626661	1	56	0.0	-80.65	411.02	9.11	-71.54
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CC(NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013626663	1	53	0.0	-77.17	409.46	7.32	-69.85
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CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013626664	1	56	0.0	-81.92	442.23	8.82	-73.10
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CC(NC(=O)N1CCCC(C)(C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013626668	1	59	0.0	-81.65	434.26	9.91	-71.74
CC(NC(=O)N1CCCC(C)(C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013626668	1	59	0.0	-81.26	423.39	9.41	-71.85
COCCN(CCC(=O)[O-])C(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013626669	1	59	0.0	-60.58	455.44	8.89	-51.69
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CC(NC(=O)N1CC(C(=O)[O-])CCC1C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013626670	1	59	0.0	-65.32	432.81	9.76	-55.56
CC(NC(=O)N1CC(C(=O)[O-])CCC1C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013626670	1	59	0.0	-67.61	435.06	9.77	-57.84
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CC(NC(=O)N1CCC(C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013626682	1	53	0.0	-75.72	407.23	8.70	-67.02
CC(NC(=O)N1CCC(C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013626682	1	53	0.0	-76.36	395.19	7.76	-68.60
CC(NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013626683	1	54	0.0	-78.05	422.31	8.45	-69.60
CC(NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013626683	1	54	0.0	-80.63	410.26	7.49	-73.14
CC(CCC(=O)[O-])NC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013626684	1	55	0.0	-66.11	425.88	8.16	-57.95
CC(CCC(=O)[O-])NC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013626684	1	55	0.0	-70.86	413.87	7.20	-63.66
CC1(C)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2CCOC21	REAL300013626705	1	50	0.0	-34.55	364.72	6.36	-28.19
CC1=CC=CC(C(C)CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013626769	1	51	0.0	-41.44	391.64	8.30	-33.14
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=NC=C1	REAL300013626940	1	47	0.0	-40.86	359.51	5.74	-35.12
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CN(C)N=C1	REAL300013626987	1	45	0.0	-38.99	354.83	4.84	-34.15
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013627012	1	57	0.0	-78.32	418.66	9.18	-69.14
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013627013	1	57	0.0	-80.82	442.86	8.88	-71.94
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013627014	1	55	0.0	-63.87	412.05	7.70	-56.17
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013627015	1	60	0.0	-83.21	444.84	8.49	-74.72
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCCCCC(=O)[O-]	REAL300013627016	1	56	0.0	-80.11	426.16	7.45	-72.66
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013627017	1	57	0.0	-81.58	442.43	8.76	-72.82
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCCC(=O)[O-]	REAL300013627018	1	50	0.0	-76.05	383.16	5.87	-70.18
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCCCCCC(=O)[O-]	REAL300013627019	1	59	0.0	-78.72	447.66	8.23	-70.49
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013627020	1	56	0.0	-80.06	418.60	7.33	-72.73
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013627021	1	57	0.0	-80.31	425.85	8.79	-71.52
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013627022	1	60	0.0	-82.85	439.72	9.76	-73.09
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013627023	1	60	0.0	-81.14	432.29	9.50	-71.64
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCCCC(=O)[O-]	REAL300013627024	1	53	0.0	-73.61	404.66	6.66	-66.95
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013627025	1	60	0.0	-58.83	434.79	9.63	-49.20
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013627026	1	59	0.0	-74.78	437.94	7.55	-67.23
CCC(CC)(CNC(=O)NC(C)C[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013627027	1	62	0.0	-67.55	450.25	8.35	-59.20
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC(C)C(=O)[O-]	REAL300013627028	1	53	0.0	-78.15	401.71	6.63	-71.52
CC(C)C(CNC(=O)NC(C)C[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013627029	1	59	0.0	-68.25	440.45	7.81	-60.44
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013627030	1	57	0.0	-73.76	426.41	8.04	-65.72
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013627031	1	60	0.0	-61.80	443.45	8.81	-52.99
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013627032	1	60	0.0	-76.75	431.98	9.91	-66.84
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013627033	1	57	0.0	-59.95	425.47	8.11	-51.84
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013627034	1	60	0.0	-75.53	450.23	8.71	-66.82
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013627035	1	60	0.0	-81.14	432.29	9.50	-71.64
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013627036	1	57	0.0	-65.91	436.38	8.96	-56.95
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013627037	1	54	0.0	-73.40	410.46	7.31	-66.09
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013627038	1	57	0.0	-82.68	418.96	9.18	-73.50
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013627039	1	57	0.0	-62.02	420.17	9.25	-52.77
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NC1CC(C(=O)[O-])C1	REAL300013627040	1	54	0.0	-74.70	410.47	7.31	-67.39
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013627041	1	54	0.0	-76.35	410.02	7.36	-68.99
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013627042	1	57	0.0	-81.58	442.43	8.76	-72.82
CCC(CNC(=O)NC(C)C[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013627043	1	56	0.0	-65.70	418.74	7.55	-58.15
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013627044	1	62	0.0	-82.11	469.15	9.01	-73.10
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N(C)CCCC(=O)[O-]	REAL300013627045	1	56	0.0	-77.69	422.28	9.04	-68.65
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013627046	1	60	0.0	-84.75	434.16	9.91	-74.84
COCCN(CCC(=O)[O-])C(=O)NC(C)C[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013627047	1	60	0.0	-57.86	453.97	8.40	-49.46
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013627048	1	60	0.0	-59.39	434.67	9.73	-49.66
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013627049	1	58	0.0	-80.35	429.02	6.76	-73.59
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013627050	1	55	0.0	-82.14	420.33	7.56	-74.58
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013627051	1	60	0.0	-68.61	439.64	8.92	-59.69
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013627052	1	60	0.0	-71.19	437.19	9.89	-61.30
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013627053	1	60	0.0	-74.51	444.85	8.52	-65.99
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013627054	1	60	0.0	-71.02	441.08	8.98	-62.04
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013627055	1	58	0.0	-66.02	432.14	6.09	-59.93
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013627056	1	55	0.0	-75.08	421.72	8.06	-67.02
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC1(C(=O)[O-])CC1	REAL300013627057	1	54	0.0	-58.49	410.28	7.58	-50.91
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013627058	1	58	0.0	-64.07	427.23	8.44	-55.63
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CC(C(=O)[O-])C1	REAL300013627059	1	51	0.0	-67.72	391.13	7.62	-60.10
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N1CCC(C(=O)[O-])C1	REAL300013627060	1	54	0.0	-78.15	406.24	8.35	-69.80
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013627061	1	55	0.0	-82.35	420.88	8.05	-74.30
CC(CCC(=O)[O-])NC(=O)NC(C)C[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013627062	1	56	0.0	-72.30	424.41	7.66	-64.64
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(C)(C)C1=CC=CC=C1	REAL300013627095	1	57	0.0	-34.62	408.18	9.18	-25.44
CC(C)(C)CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013627174	1	57	0.0	-39.08	435.66	9.47	-29.61
CC(C)CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013627241	1	54	0.0	-34.99	416.11	9.28	-25.71
CS(=O)(=O)NC1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013627312	1	53	0.0	-47.94	408.60	1.84	-46.10
CC(C)(CO)CCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013627372	1	51	0.0	-37.46	380.42	3.26	-34.20
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300013627408	0	51	0.0	-77.66	399.44	9.85	-67.81
C[NH+](C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300013627409	0	49	0.0	-80.99	392.85	8.31	-72.68
C[NH+](C)C(CNC(=O)NCCCCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013627410	0	50	0.0	-80.73	407.82	8.12	-72.61
C[NH+](C)C(CNC(=O)NCCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013627411	0	44	0.0	-77.02	364.82	6.55	-70.47
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013627412	0	53	0.0	-80.64	429.32	8.91	-71.73
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013627413	0	50	0.0	-79.82	400.26	8.00	-71.82
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300013627414	0	51	0.0	-79.25	406.59	9.41	-69.84
C[NH+](C)C(CNC(=O)NCCCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013627415	0	47	0.0	-76.75	386.32	7.34	-69.41
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013627416	0	53	0.0	-78.07	419.61	8.24	-69.83
CC(CNC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300013627417	0	47	0.0	-78.01	383.38	7.31	-70.70
CC(C)C(CNC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300013627418	0	53	0.0	-68.33	413.85	8.60	-59.73
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300013627419	0	51	0.0	-70.88	404.36	9.52	-61.36
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300013627420	0	51	0.0	-68.88	407.27	8.56	-60.32
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300013627421	0	48	0.0	-73.84	388.61	8.90	-64.94
C[NH+](C)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300013627422	0	51	0.0	-69.86	399.74	9.84	-60.02
C[NH+](C)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300013627423	0	51	0.0	-81.33	401.29	9.90	-71.43
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300013627424	0	48	0.0	-77.57	391.21	7.91	-69.66
C[NH+](C)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300013627425	0	48	0.0	-79.73	391.50	7.98	-71.75
CCC(CNC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300013627426	0	50	0.0	-70.70	405.32	8.01	-62.69
CN(CCCC(=O)[O-])C(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300013627427	0	50	0.0	-79.81	403.96	9.74	-70.07
C[NH+](C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C1=CC=CC(C(F)(F)F)=C1	REAL300013627428	0	49	0.0	-84.04	398.40	9.13	-74.91
C[NH+](C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CC(C(F)(F)F)=C1	REAL300013627429	0	49	0.0	-77.64	402.51	8.65	-68.99
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300013627430	0	48	0.0	-69.82	391.38	8.29	-61.53
C[NH+](C)C(CNC(=O)N1CC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300013627431	0	45	0.0	-73.27	372.57	8.12	-65.15
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300013627432	0	48	0.0	-79.76	383.78	9.82	-69.94
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CC(C(F)(F)F)=C1	REAL300013627433	0	49	0.0	-81.76	401.65	8.66	-73.10
CC(CCC(=O)[O-])NC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300013627434	0	50	0.0	-76.69	406.08	8.37	-68.32
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013627435	0	57	0.0	-77.86	416.15	10.78	-67.08
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013627435	1	57	0.0	-79.33	415.39	10.86	-68.47
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013627436	0	57	0.0	-81.56	439.85	10.50	-71.06
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013627436	1	57	0.0	-81.52	439.80	10.49	-71.03
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013627437	0	55	0.0	-84.22	408.62	9.35	-74.87
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013627437	1	55	0.0	-65.36	408.60	9.35	-56.01
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013627438	0	60	0.0	-81.09	445.40	10.36	-70.73
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013627438	1	60	0.0	-66.42	441.62	10.98	-55.44
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCC(=O)[O-]	REAL300013627439	0	56	0.0	-78.05	426.50	9.37	-68.68
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCC(=O)[O-]	REAL300013627439	1	56	0.0	-80.54	423.54	9.17	-71.37
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013627440	0	57	0.0	-80.42	442.76	10.68	-69.74
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013627440	1	57	0.0	-82.16	439.80	10.48	-71.68
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCC(=O)[O-]	REAL300013627441	0	50	0.0	-74.96	381.75	8.08	-66.88
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCC(=O)[O-]	REAL300013627441	1	50	0.0	-76.96	378.88	7.92	-69.04
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013627442	0	59	0.0	-76.58	446.25	10.44	-66.14
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013627442	1	59	0.0	-78.87	448.47	10.45	-68.42
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013627443	0	56	0.0	-78.66	417.19	9.54	-69.12
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013627443	1	56	0.0	-80.91	414.32	9.38	-71.53
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013627444	0	57	0.0	-85.13	418.94	10.94	-74.19
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013627444	1	57	0.0	-76.29	426.28	11.13	-65.16
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013627445	0	60	0.0	-60.88	439.02	11.48	-49.40
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013627445	1	60	0.0	-60.09	440.19	12.13	-47.96
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013627446	0	60	0.0	-79.37	432.71	11.63	-67.74
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013627446	1	60	0.0	-77.23	434.35	11.53	-65.70
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013627447	0	53	0.0	-72.43	403.25	8.88	-63.55
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013627447	1	53	0.0	-74.28	402.04	8.39	-65.89
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013627448	0	60	0.0	-63.47	438.69	11.95	-51.52
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013627448	1	60	0.0	-57.93	437.13	11.73	-46.20
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013627449	0	61	0.0	-68.09	445.72	9.06	-59.03
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013627449	1	61	0.0	-66.28	443.11	8.37	-57.91
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013627450	0	59	0.0	-74.04	438.96	9.78	-64.26
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013627450	1	59	0.0	-75.28	435.32	9.27	-66.01
CCC(CC)(CNC(=O)NC(C[N@H+](C)CC1=CC=CC=C1)C(C)C)C(=O)[O-]	REAL300013627451	0	62	0.0	-63.99	450.59	10.27	-53.72
CCC(CC)(CNC(=O)NC(C[N@@H+](C)CC1=CC=CC=C1)C(C)C)C(=O)[O-]	REAL300013627451	1	62	0.0	-65.28	450.77	10.62	-54.66
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)C(=O)[O-]	REAL300013627452	0	53	0.0	-77.03	402.73	8.86	-68.17
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)C(=O)[O-]	REAL300013627452	1	53	0.0	-78.33	397.43	8.68	-69.65
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013627453	0	59	0.0	-65.34	440.79	9.73	-55.61
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013627453	1	59	0.0	-62.26	432.57	9.64	-52.62
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013627454	0	57	0.0	-74.55	423.45	9.67	-64.88
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013627454	1	57	0.0	-71.23	429.29	10.15	-61.08
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013627455	0	63	0.0	-81.24	459.60	12.88	-68.36
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013627455	1	63	0.0	-80.50	456.24	12.35	-68.15
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013627456	0	59	0.0	-78.09	436.82	9.70	-68.39
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013627456	1	59	0.0	-77.74	436.63	9.64	-68.10
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013627457	0	60	0.0	-66.96	443.41	10.64	-56.32
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013627457	1	60	0.0	-60.45	446.33	10.92	-49.53
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013627458	0	60	0.0	-78.85	428.95	11.62	-67.23
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013627458	1	60	0.0	-75.23	434.32	12.02	-63.21
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013627459	0	57	0.0	-61.27	422.53	9.74	-51.53
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013627459	1	57	0.0	-65.62	423.42	9.59	-56.03
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013627460	0	60	0.0	-76.59	451.02	10.89	-65.70
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013627460	1	60	0.0	-75.85	450.98	10.87	-64.98
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013627461	0	60	0.0	-79.37	432.71	11.63	-67.74
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013627461	1	60	0.0	-77.23	434.35	11.53	-65.70
CC(C)C[C@H](CNC(=O)NC(C[N@H+](C)CC1=CC=CC=C1)C(C)C)CC(=O)[O-]	REAL300013627462	0	65	0.0	-68.48	479.66	11.38	-57.10
CC(C)C[C@H](CNC(=O)NC(C[N@@H+](C)CC1=CC=CC=C1)C(C)C)CC(=O)[O-]	REAL300013627462	1	65	0.0	-70.03	477.39	11.23	-58.80
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013627463	0	57	0.0	-66.48	436.54	11.19	-55.29
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013627463	1	57	0.0	-74.81	436.84	11.10	-63.71
COCC1(C(=O)[O-])CCN(C(=O)NC(C[N@H+](C)CC2=CC=CC=C2)C(C)C)C1	REAL300013627464	0	61	0.0	-86.76	454.40	10.93	-75.83
COCC1(C(=O)[O-])CCN(C(=O)NC(C[N@@H+](C)CC2=CC=CC=C2)C(C)C)C1	REAL300013627464	1	61	0.0	-80.00	459.46	10.02	-69.98
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013627465	0	54	0.0	-74.31	407.56	8.96	-65.35
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013627465	1	54	0.0	-74.15	407.16	8.95	-65.20
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013627466	0	62	0.0	-78.07	458.67	8.61	-69.46
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013627466	1	62	0.0	-78.06	455.54	8.01	-70.05
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013627467	0	57	0.0	-83.43	419.13	11.42	-72.01
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013627467	1	57	0.0	-60.75	416.40	10.76	-49.99
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013627468	0	57	0.0	-62.05	416.26	10.89	-51.16
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013627468	1	57	0.0	-61.07	418.22	11.02	-50.05
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC1CC(C(=O)[O-])C1	REAL300013627469	0	54	0.0	-74.25	407.51	8.95	-65.30
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC1CC(C(=O)[O-])C1	REAL300013627469	1	54	0.0	-73.81	410.55	9.45	-64.36
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013627470	0	54	0.0	-78.19	407.40	9.00	-69.19
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013627470	1	54	0.0	-77.08	407.41	8.99	-68.09
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013627471	0	57	0.0	-80.42	442.76	10.68	-69.74
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013627471	1	57	0.0	-82.16	439.80	10.48	-71.68
CCC(CNC(=O)NC(C[N@H+](C)CC1=CC=CC=C1)C(C)C)C(=O)[O-]	REAL300013627472	0	56	0.0	-67.83	424.00	9.25	-58.58
CCC(CNC(=O)NC(C[N@@H+](C)CC1=CC=CC=C1)C(C)C)C(=O)[O-]	REAL300013627472	1	56	0.0	-67.13	419.55	9.77	-57.36
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013627473	0	63	0.0	-80.75	450.15	12.62	-68.13
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013627473	1	63	0.0	-81.77	453.15	12.37	-69.40
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013627474	0	65	0.0	-78.55	490.99	11.71	-66.84
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013627474	1	65	0.0	-81.24	488.03	11.51	-69.73
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013627475	0	62	0.0	-80.70	470.17	11.24	-69.46
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013627475	1	62	0.0	-82.27	466.53	10.73	-71.54
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N(C)CCCC(=O)[O-]	REAL300013627476	0	56	0.0	-77.84	422.62	10.95	-66.89
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N(C)CCCC(=O)[O-]	REAL300013627476	1	56	0.0	-77.53	425.51	11.24	-66.29
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013627477	0	60	0.0	-85.89	431.10	11.65	-74.24
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013627477	1	60	0.0	-60.11	436.54	12.04	-48.07
COCCN(CCC(=O)[O-])C(=O)NC(C[N@H+](C)CC1=CC=CC=C1)C(C)C	REAL300013627478	0	60	0.0	-58.24	454.30	10.32	-47.92
COCCN(CCC(=O)[O-])C(=O)NC(C[N@@H+](C)CC1=CC=CC=C1)C(C)C	REAL300013627478	1	60	0.0	-52.44	455.56	10.75	-41.69
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013627479	0	63	0.0	-83.99	459.98	12.86	-71.13
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013627479	1	63	0.0	-80.60	459.74	13.00	-67.60
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013627480	0	58	0.0	-71.48	432.16	10.02	-61.46
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013627480	1	58	0.0	-75.81	430.24	10.06	-65.75
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013627481	0	60	0.0	-61.57	432.40	11.78	-49.79
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013627481	1	60	0.0	-58.24	433.92	12.07	-46.17
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013627482	0	58	0.0	-80.49	424.74	8.91	-71.58
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013627482	1	58	0.0	-78.52	431.42	8.87	-69.65
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013627483	0	55	0.0	-83.06	420.34	9.76	-73.30
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013627483	1	55	0.0	-79.62	423.09	9.66	-69.96
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013627484	0	60	0.0	-68.27	440.95	10.80	-57.47
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013627484	1	60	0.0	-69.77	437.99	10.60	-59.17
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013627485	0	63	0.0	-79.08	463.39	11.39	-67.69
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013627485	1	63	0.0	-80.67	460.86	10.87	-69.80
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013627486	0	60	0.0	-81.01	434.68	11.48	-69.53
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013627486	1	60	0.0	-72.33	432.27	11.90	-60.43
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CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2CC3CCC(C2)[NH+]3C)CCO1	REAL300013630815	0	57	0.0	-78.36	406.63	7.94	-70.42
C[NH+]1C2CCC1CC(NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C2	REAL300013630816	0	47	0.0	-72.83	329.55	7.03	-65.80
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC2CCC(C1)[NH+]2C	REAL300013630817	0	49	0.0	-59.93	332.82	8.89	-51.04
C[NH+]1C2CCC1CC(NC(=O)N1C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C1)C2	REAL300013630818	0	53	0.0	-66.61	391.79	9.62	-56.99
C[NH+]1C2CCC1CC(NC(=O)N1CCCC(O)(C(=O)[O-])C1)C2	REAL300013630819	0	47	0.0	-78.73	326.98	5.91	-72.82
C[NH+]1C2CCC1CC(NC(=O)NC1CC(C(=O)[O-])C3=CC=CC=C31)C2	REAL300013630820	0	50	0.0	-73.02	360.83	9.13	-63.89
C[NH+]1C2CCC1CC(NC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C2	REAL300013630821	0	53	0.0	-89.26	370.94	8.34	-80.92
COCC1(C(=O)[O-])CCN(C(=O)NC2CC3CCC(C2)[NH+]3C)CC1	REAL300013630822	0	53	0.0	-76.29	360.98	8.51	-67.78
C[NH+]1C2CCC1CC(NC(=O)NCC1(CC(=O)[O-])CCCCC1)C2	REAL300013630823	0	55	0.0	-72.66	366.14	8.79	-63.87
C[NH+]1C2CCC1CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C2	REAL300013630824	0	49	0.0	-68.25	339.47	8.19	-60.06
C[NH+]1C2CCC1CC(NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C2	REAL300013630825	0	52	0.0	-76.37	363.68	8.50	-67.87
C[NH+]1C2CCC1CC(NC(=O)N1CCC(CC(=O)[O-])CC1)C2	REAL300013630826	0	49	0.0	-67.29	346.74	7.70	-59.59
C[NH+]1C2CCC1CC(NC(=O)N1CCC(OCC(=O)[O-])CC1)C2	REAL300013630827	0	50	0.0	-75.27	363.28	7.09	-68.18
C[NH+]1C2CCC1CC(NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C2	REAL300013630828	0	49	0.0	-73.20	345.27	7.81	-65.39
C[NH+]1C2CCC1CC(NC(=O)NC1CCCC(C(=O)[O-])C1)C2	REAL300013630829	0	49	0.0	-72.91	344.74	7.80	-65.11
C[NH+]1C2CCC1CC(NC(=O)NCC1(C(=O)[O-])CCCOC1)C2	REAL300013630830	0	50	0.0	-69.38	350.07	6.66	-62.72
C[NH+]1C2CCC1CC(NC(=O)NCC1(C(=O)[O-])CCOC1)C2	REAL300013630831	0	47	0.0	-65.61	332.01	5.36	-60.25
C[NH+]1C2CCC1CC(NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C2	REAL300013630832	0	58	0.0	-76.72	417.89	10.53	-66.19
C[NH+]1C2CCC1CC(NC(=O)N1CC(C(=O)[O-])C3(CCC3)C1)C2	REAL300013630833	0	50	0.0	-67.30	347.46	9.30	-58.00
C[NH+]1C2CCC1CC(NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C2	REAL300013630834	0	46	0.0	-70.43	338.15	8.29	-62.14
C[NH+]1C2CCC1CC(NC(=O)N1CCOC(C)(C(=O)[O-])C1)C2	REAL300013630835	0	47	0.0	-78.86	336.91	6.27	-72.59
COC1CC(C(=O)[O-])CN(C(=O)NC2CC3CCC(C2)[NH+]3C)C1	REAL300013630836	0	50	0.0	-62.68	348.56	7.45	-55.23
C[NH+]1C2CCC1CC(NC(=O)N1CCC3(CC1)NC(=O)N(CC(=O)[O-])C3=O)C2	REAL300013630837	0	55	0.0	-78.72	395.90	6.91	-71.81
CCN1C=CN=C1C(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013630858	1	48	0.0	-37.15	374.52	6.23	-30.92
CC1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=NC=CN21	REAL300013630914	1	46	0.0	-44.84	357.43	6.01	-38.83
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCS2(=O)=O)CC1	REAL300013630978	1	45	0.0	-42.62	355.55	2.47	-40.15
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3=CC(F)=C(F)C(F)=C32)CC1	REAL300013631051	1	46	0.0	-41.62	371.84	7.70	-33.92
CC(CC1=CN(C)N=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013631113	1	48	0.0	-46.88	377.57	5.77	-41.11
CN1N=CC=C1C1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCO1	REAL300013631181	1	53	0.0	-40.27	400.41	5.65	-34.62
CCC1=NC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CO1	REAL300013631235	1	44	0.0	-37.82	351.64	2.32	-35.50
CC(C)C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013631292	1	51	0.0	-39.87	398.55	8.87	-31.00
CNC(=O)CC(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013631340	1	45	0.0	-41.63	351.81	2.67	-38.96
C=CCC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCC1	REAL300013631431	1	52	0.0	-35.38	385.75	7.91	-27.47
CCCC1=NC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)O1	REAL300013631487	1	47	0.0	-37.39	373.15	3.34	-34.05
COC1=CC=CC([C@@H]2C[C@H]2NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013631554	1	50	0.0	-43.18	389.88	6.96	-36.22
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCOC(C3=CC=CS3)C2)CC1	REAL300013631630	1	50	0.0	-36.81	397.45	6.44	-30.37
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H](C3=CC=CC=N3)C2)CC1	REAL300013631704	1	52	0.0	-44.30	397.42	5.86	-38.44
COC1=CC=CC([C@H]2C[C@H](NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2)=C1	REAL300013631779	1	53	0.0	-42.07	406.04	7.50	-34.57
COC(C(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CC1	REAL300013631848	1	49	0.0	-34.67	371.52	5.75	-28.92
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(=O)N1C2=CC=CC=C2CC1C	REAL300013631908	1	56	0.0	-37.01	418.98	7.75	-29.26
CC(C)(C)OC1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1N1C=CC=N1	REAL300013631974	1	59	0.0	-39.30	448.28	6.61	-32.69
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CCCC1	REAL300013632020	1	51	0.0	-34.58	370.56	7.20	-27.38
CC(CC1=CC=CC(O)=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013632074	1	49	0.0	-41.70	383.88	5.21	-36.49
CCN1C=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013632133	1	48	0.0	-38.64	376.31	5.70	-32.94
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CC3=CC=CC=C3O2)CC1	REAL300013632197	1	47	0.0	-41.16	368.75	6.20	-34.96
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2CCOC2)CC1	REAL300013632256	1	49	0.0	-37.74	370.18	4.83	-32.91
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C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(C(C)(C)C)C=C1	REAL300013632482	1	57	0.0	-35.67	426.88	9.44	-26.23
COC(=O)NCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013632533	1	43	0.0	-40.11	344.47	0.97	-39.14
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC(C3=CC=CC=N3)=NN2)CC1	REAL300013632587	1	47	0.0	-42.77	384.29	4.34	-38.43
CCO[C@@H]1COC[C@H]1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013632650	1	47	0.0	-39.04	363.09	2.78	-36.26
CC(C)(O)C(C)(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013632706	1	51	0.0	-37.47	364.62	3.24	-34.23
CC1=CC(C)=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013632769	1	47	0.0	-37.31	367.17	5.88	-31.43
CCCC1CCCCC1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013632833	1	57	0.0	-35.36	405.14	8.27	-27.09
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C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1F	REAL300013632970	1	45	0.0	-38.29	363.34	7.64	-30.65
COCC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCC1	REAL300013633036	1	52	0.0	-36.76	386.72	5.89	-30.87
COC1=CC=CN=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013633092	1	45	0.0	-38.38	356.10	3.77	-34.61
CC1(C)CCCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013633148	1	54	0.0	-35.37	389.21	7.57	-27.80
NC(=O)[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013633195	1	46	0.0	-39.98	353.71	2.00	-37.98
CCO[C@@H]1CCC[C@H]1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013633250	1	49	0.0	-36.84	372.33	5.35	-31.49
CCO[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013633327	1	52	0.0	-36.53	389.60	5.99	-30.54
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CCCC(C)C1	REAL300013633383	1	54	0.0	-35.12	381.10	7.55	-27.57
COC1=CC=C(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=CO2)C=C1	REAL300013633450	1	53	0.0	-39.10	420.78	7.51	-31.59
CC1=CC=CC(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013633505	1	48	0.0	-35.91	372.06	7.78	-28.13
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CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(C(C)(C)C)C=C1	REAL300013633828	1	57	0.0	-39.53	426.83	9.44	-30.09
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O=C([O-])C1=CC=C(CNC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C=C1	REAL300013633872	0	51	0.0	-85.88	407.91	7.86	-78.02
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O=C([O-])C1CCC(NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CC1	REAL300013633874	0	54	0.0	-86.12	410.94	7.60	-78.52
O=C([O-])CCCCNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013633875	0	50	0.0	-83.83	392.03	6.61	-77.22
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)=CC=C1	REAL300013633876	0	51	0.0	-85.20	407.91	7.85	-77.35
O=C([O-])CCNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013633877	0	44	0.0	-81.03	349.04	5.03	-76.00
O=C([O-])CCCCCNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013633878	0	53	0.0	-83.00	413.53	7.39	-75.61
CC(C)(CNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013633879	0	50	0.0	-84.07	384.47	6.49	-77.58
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013633880	0	51	0.0	-83.60	391.31	7.85	-75.75
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013633881	0	54	0.0	-69.82	406.07	8.87	-60.95
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CC1	REAL300013633882	0	54	0.0	-83.57	397.72	8.62	-74.95
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013633883	0	47	0.0	-79.14	370.53	5.83	-73.31
CC1CCN(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CC1C(=O)[O-]	REAL300013633884	0	54	0.0	-86.59	394.84	8.54	-78.05
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CCOCC1	REAL300013633885	0	55	0.0	-71.39	410.24	5.91	-65.48
CC(C)(CCNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013633886	0	53	0.0	-80.37	403.24	6.70	-73.67
CCC(CC)(CNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013633887	0	56	0.0	-74.40	416.13	7.51	-66.89
CC(CNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013633888	0	47	0.0	-82.10	366.70	5.78	-76.32
CC(C)C(CNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013633889	0	53	0.0	-75.75	406.33	6.99	-68.76
CC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013633890	0	60	0.0	-84.03	443.33	8.38	-75.65
CC(CNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013633891	0	57	0.0	-76.10	439.02	9.08	-67.02
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O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CCCC1	REAL300013633895	0	54	0.0	-71.27	408.61	7.81	-63.46
CC1CN(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CCC1C(=O)[O-]	REAL300013633896	0	54	0.0	-80.26	397.69	9.01	-71.25
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CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CC1	REAL300013633899	0	54	0.0	-83.57	397.72	8.62	-74.95
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COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013633902	0	55	0.0	-87.48	422.02	7.08	-80.40
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CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C2)C=C1OC	REAL300013633950	0	59	0.0	-72.92	452.04	7.69	-65.23
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O=C([O-])CCCCNC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013634197	0	62	0.0	-79.57	475.13	8.09	-71.48
O=C([O-])CCCCNC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013634197	1	62	0.0	-78.27	475.11	8.05	-70.22
O=C([O-])CCNC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013634198	0	56	0.0	-76.78	432.13	6.51	-70.27
O=C([O-])CCNC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013634198	1	56	0.0	-75.84	432.11	6.47	-69.37
CC(C)(CNC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013634199	0	62	0.0	-79.62	466.99	7.97	-71.65
CC(C)(CNC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013634199	1	62	0.0	-78.52	467.55	7.93	-70.59
O=C([O-])CCCNC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013634200	0	59	0.0	-74.50	453.63	7.31	-67.19
O=C([O-])CCCNC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013634200	1	59	0.0	-73.64	453.61	7.27	-66.37
CC(CNC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013634201	0	59	0.0	-77.76	449.80	7.26	-70.50
CC(CNC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013634201	1	59	0.0	-76.69	449.78	7.22	-69.47
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O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013634202	1	60	0.0	-74.14	459.46	7.89	-66.25
O=C([O-])C1CC(NC(=O)NCCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013634203	0	60	0.0	-74.74	459.60	7.90	-66.84
O=C([O-])C1CC(NC(=O)NCCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013634203	1	60	0.0	-73.89	458.36	7.75	-66.14
O=C([O-])[C@H]1C[C@H](NC(=O)NCCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013634204	0	60	0.0	-76.50	457.76	7.75	-68.75
O=C([O-])[C@H]1C[C@H](NC(=O)NCCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013634204	1	60	0.0	-75.55	458.94	7.94	-67.61
CCC(CNC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013634205	0	62	0.0	-68.71	467.70	8.18	-60.53
CCC(CNC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013634205	1	62	0.0	-71.53	472.61	7.93	-63.60
CN(CCCC(=O)[O-])C(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013634206	0	62	0.0	-80.00	471.26	9.69	-70.31
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O=C([O-])C1CN(C(=O)NCCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013634208	1	57	0.0	-70.27	440.03	8.19	-62.08
O=C([O-])C1CCN(C(=O)NCCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013634209	0	60	0.0	-77.56	454.34	8.73	-68.83
O=C([O-])C1CCN(C(=O)NCCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013634209	1	60	0.0	-76.53	454.74	8.84	-67.69
CC(CCC(=O)[O-])NC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013634210	0	62	0.0	-72.58	473.39	8.31	-64.27
CC(CCC(=O)[O-])NC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013634210	1	62	0.0	-72.55	473.36	8.28	-64.27
CC(C)CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013634242	1	57	0.0	-38.96	441.37	10.02	-28.94
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC3=C(CCCC3)S2)CC1	REAL300013634335	1	49	0.0	-35.36	387.03	8.00	-27.36
O=C([O-])C1CCN(C(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300013634434	0	60	0.0	-78.79	442.95	9.54	-69.25
O=C([O-])C1CN(C(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCO1	REAL300013634435	0	58	0.0	-69.71	436.09	8.03	-61.68
O=C([O-])CCCCNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013634436	0	59	0.0	-81.63	450.79	7.87	-73.76
O=C([O-])CCNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013634437	0	53	0.0	-78.82	407.79	6.29	-72.53
O=C([O-])CCCCCNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013634438	0	62	0.0	-80.46	472.28	8.65	-71.81
CC(C)(CNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013634439	0	59	0.0	-81.71	443.22	7.75	-73.96
CC1(C(=O)[O-])CCN(C(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300013634440	0	60	0.0	-80.88	450.14	9.15	-71.73
O=C([O-])CCCNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013634441	0	56	0.0	-76.48	429.29	7.09	-69.39
CC(C)(CCNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013634442	0	62	0.0	-77.34	462.57	7.97	-69.37
CC(CNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013634443	0	56	0.0	-79.80	425.46	7.03	-72.77
CC(C)C(CNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013634444	0	62	0.0	-71.21	458.81	8.37	-62.84
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300013634445	0	60	0.0	-74.34	450.70	8.34	-66.00
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O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300013634447	0	57	0.0	-77.03	434.43	7.65	-69.38
O=C([O-])[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300013634448	0	60	0.0	-66.79	443.22	9.54	-57.25
O=C([O-])[C@H]1CCCN(C(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300013634449	0	60	0.0	-68.40	444.46	9.61	-58.79
O=C([O-])C1CC(NC(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300013634450	0	57	0.0	-77.03	434.75	7.65	-69.38
O=C([O-])[C@H]1C[C@H](NC(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300013634451	0	57	0.0	-78.94	434.29	7.70	-71.24
CCC(CNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013634452	0	59	0.0	-70.90	443.36	7.97	-62.93
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CC(C)(CNC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300013635180	1	51	0.0	-87.85	401.56	8.37	-79.48
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)C1	REAL300013635181	1	52	0.0	-87.65	409.05	9.74	-77.91
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)C1	REAL300013635182	1	55	0.0	-74.17	423.12	10.73	-63.44
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CC1	REAL300013635183	1	55	0.0	-86.08	415.59	10.47	-75.61
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300013635184	1	48	0.0	-83.32	388.20	7.70	-75.62
CC1CCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CC1C(=O)[O-]	REAL300013635185	1	55	0.0	-89.60	418.04	10.62	-78.98
CC(C)(CCNC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300013635186	1	54	0.0	-84.53	420.91	8.57	-75.96
CCC(CC)(CNC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300013635187	1	57	0.0	-79.15	433.80	9.38	-69.77
CC(CNC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300013635188	1	48	0.0	-86.25	385.25	7.66	-78.59
CC(C)C(CNC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300013635189	1	54	0.0	-77.13	417.73	8.98	-68.15
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)C1	REAL300013635190	1	52	0.0	-85.09	409.90	8.97	-76.12
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CC1CN(C(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CCC1C(=O)[O-]	REAL300013635192	1	55	0.0	-85.08	415.21	10.90	-74.18
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CCC1	REAL300013635193	1	52	0.0	-76.76	409.27	8.85	-67.91
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CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CC1	REAL300013635195	1	55	0.0	-86.08	415.59	10.47	-75.61
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O=C([O-])[C@H]1CCCN(C(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)C1	REAL300013635198	1	52	0.0	-92.39	403.42	10.19	-82.20
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CC(CCC(=O)[O-])NC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300013635220	1	51	0.0	-81.80	407.96	8.69	-73.11
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COC1=CC=CC=C1C(CNC(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013635314	0	59	0.0	-65.04	426.58	10.33	-54.71
COC1=CC=CC=C1C(CNC(=O)N1CCOC(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013635315	0	57	0.0	-53.52	419.71	8.85	-44.67
COC1=CC=CC=C1C(CNC(=O)NCCCCC(=O)[O-])[NH+]1CCCCC1	REAL300013635316	0	58	0.0	-70.86	434.58	9.25	-61.61
COC1=CC=CC=C1C(CNC(=O)NCCC(=O)[O-])[NH+]1CCCCC1	REAL300013635317	0	52	0.0	-66.24	391.58	7.67	-58.57
COC1=CC=CC=C1C(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCCCC1	REAL300013635318	0	61	0.0	-69.54	456.08	10.03	-59.51
COC1=CC=CC=C1C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCCCC1	REAL300013635319	0	58	0.0	-70.23	427.01	9.13	-61.10
COC1=CC=CC=C1C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013635320	0	59	0.0	-69.04	433.66	9.96	-59.08
COC1=CC=CC=C1C(CNC(=O)NCCCC(=O)[O-])[NH+]1CCCCC1	REAL300013635321	0	55	0.0	-64.25	413.08	8.46	-55.79
COC1=CC=CC=C1C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCCCC1	REAL300013635322	0	61	0.0	-65.28	446.36	9.35	-55.93
COC1=CC=CC=C1C(CNC(=O)NCC(C)C(=O)[O-])[NH+]1CCCCC1	REAL300013635323	0	55	0.0	-67.33	409.25	8.40	-58.93
COC1=CC=CC=C1C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]1CCCCC1	REAL300013635324	0	61	0.0	-51.96	440.72	9.68	-42.28
COC1=CC=CC=C1C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013635325	0	59	0.0	-60.81	434.72	9.74	-51.07
COC1=CC=CC=C1C(CNC(=O)NCC1(C(=O)[O-])CCC1)[NH+]1CCCCC1	REAL300013635326	0	59	0.0	-51.14	433.33	9.85	-41.29
COC1=CC=CC=C1C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013635327	0	56	0.0	-65.15	418.19	8.46	-56.69
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013635328	0	59	0.0	-49.54	426.75	10.38	-39.16
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013635329	0	59	0.0	-72.82	427.33	10.42	-62.40
COC1=CC=CC=C1C(CNC(=O)NC1CC(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013635330	0	56	0.0	-64.14	418.27	8.47	-55.67
COC1=CC=CC=C1C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013635331	0	56	0.0	-67.06	417.82	8.52	-58.54
CCC(CNC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCCC1)C(=O)[O-]	REAL300013635332	0	58	0.0	-52.12	426.33	9.30	-42.82
COC1=CC=CC=C1C(CNC(=O)N(C)CCCC(=O)[O-])[NH+]1CCCCC1	REAL300013635333	0	58	0.0	-71.24	430.71	10.85	-60.39
COC1=CC=CC=C1C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[NH+]1CCCCC1	REAL300013635334	0	57	0.0	-73.05	428.28	9.26	-63.79
COC1=CC=CC=C1C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCCCC1	REAL300013635335	0	57	0.0	-63.46	429.66	9.76	-53.70
COC1=CC=CC=C1C(CNC(=O)NCC1(C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013635336	0	56	0.0	-49.12	417.96	8.74	-40.38
COC1=CC=CC=C1C(CNC(=O)N1CC(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013635337	0	53	0.0	-59.03	398.70	8.77	-50.26
COC1=CC=CC=C1C(CNC(=O)N1CCC(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013635338	0	56	0.0	-67.87	413.81	9.49	-58.38
COC1=CC=CC=C1C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCCCC1	REAL300013635339	0	57	0.0	-72.98	429.32	9.77	-63.21
COC1=CC=CC=C1C(CNC(=O)NC(C)CCC(=O)[O-])[NH+]1CCCCC1	REAL300013635340	0	58	0.0	-60.74	432.83	9.47	-51.27
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013635341	0	48	0.0	-75.83	367.35	8.92	-66.91
C[NH+](C)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300013635342	0	48	0.0	-82.86	391.32	8.52	-74.34
C[NH+](C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635343	0	46	0.0	-81.57	360.48	7.38	-74.19
C[NH+](C)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013635344	0	51	0.0	-71.81	388.20	8.60	-63.21
C[NH+](C)C(CNC(=O)NCCCCC(=O)[O-])C1=CC=C(F)C=C1	REAL300013635345	0	47	0.0	-80.68	371.74	8.09	-72.59
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C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300013635348	0	47	0.0	-80.35	364.17	7.97	-72.38
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635349	0	48	0.0	-79.62	371.89	8.56	-71.06
CC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C1	REAL300013635350	0	51	0.0	-83.22	385.62	10.37	-72.85
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013635351	0	51	0.0	-82.33	381.33	9.24	-73.09
C[NH+](C)C(CNC(=O)NCCCC(=O)[O-])C1=CC=C(F)C=C1	REAL300013635352	0	44	0.0	-73.60	350.24	7.31	-66.29
CC1CCN(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)CC1C(=O)[O-]	REAL300013635353	0	51	0.0	-80.46	383.59	9.38	-71.08
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=C(F)C=C1	REAL300013635354	0	52	0.0	-65.13	394.63	6.40	-58.73
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300013635355	0	50	0.0	-74.64	383.52	8.20	-66.44
CCC(CC)(CNC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013635356	0	53	0.0	-61.64	395.83	9.01	-52.63
CC(CNC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013635357	0	44	0.0	-77.25	346.41	7.27	-69.98
CC(C)C(CNC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013635358	0	50	0.0	-60.10	379.21	8.59	-51.51
CC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013635359	0	57	0.0	-83.28	426.31	8.97	-74.31
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300013635360	0	54	0.0	-65.00	415.20	10.82	-54.18
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635361	0	48	0.0	-76.42	374.58	7.59	-68.83
C[NH+](C)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013635362	0	54	0.0	-79.37	408.16	10.37	-69.00
C[NH+](C)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635363	0	50	0.0	-78.99	385.74	7.07	-71.92
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=C(F)C=C1	REAL300013635364	0	51	0.0	-66.56	392.01	8.47	-58.09
CC1CN(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)CCC1C(=O)[O-]	REAL300013635365	0	51	0.0	-74.72	380.73	9.64	-65.08
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCC1)C1=CC=C(F)C=C1	REAL300013635366	0	48	0.0	-65.67	374.93	7.62	-58.05
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=C(F)C=C1	REAL300013635367	0	51	0.0	-79.21	396.25	9.39	-69.82
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013635368	0	51	0.0	-82.33	381.33	9.24	-73.09
CC(C)C[C@H](CNC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)CC(=O)[O-]	REAL300013635369	0	56	0.0	-77.21	420.63	8.85	-68.36
C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300013635370	0	48	0.0	-69.76	384.94	8.63	-61.13
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C1	REAL300013635371	0	52	0.0	-78.31	405.60	7.61	-70.70
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635372	0	45	0.0	-76.59	358.88	6.99	-69.60
C[NH+](C)C(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013635373	0	53	0.0	-79.12	407.38	6.10	-73.02
C[NH+](C)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635374	0	48	0.0	-65.34	367.41	8.90	-56.44
C[NH+](C)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635375	0	48	0.0	-80.68	367.48	8.91	-71.77
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635376	0	45	0.0	-76.51	358.63	6.99	-69.52
C[NH+](C)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635377	0	45	0.0	-76.41	355.26	7.93	-68.48
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300013635378	0	48	0.0	-79.83	391.33	8.51	-71.32
CCC(CNC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013635379	0	47	0.0	-62.46	369.24	7.98	-54.48
C[NH+](C)C(CNC(=O)N1CCCCC1CCC(=O)[O-])C1=CC=C(F)C=C1	REAL300013635380	0	54	0.0	-80.65	401.37	10.31	-70.34
C[NH+](C)C(CNC(=O)NCCCCCCCC(=O)[O-])C1=CC=C(F)C=C1	REAL300013635381	0	56	0.0	-81.88	436.23	10.45	-71.43
C[NH+](C)C(CNC(=O)NCCCCCCC(=O)[O-])C1=CC=C(F)C=C1	REAL300013635382	0	53	0.0	-82.95	414.73	9.66	-73.29
CN(CCCC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300013635383	0	47	0.0	-80.85	367.88	9.72	-71.13
C[NH+](C)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635384	0	51	0.0	-81.92	382.94	9.69	-72.23
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C1	REAL300013635385	0	55	0.0	-64.25	405.28	9.76	-54.49
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300013635386	0	51	0.0	-52.94	395.28	8.90	-44.04
C[NH+](C)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635387	0	54	0.0	-81.24	408.51	10.37	-70.87
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635388	0	52	0.0	-77.03	400.71	11.69	-65.34
C[NH+](C)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013635389	0	49	0.0	-74.19	379.57	7.71	-66.48
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300013635390	0	51	0.0	-66.64	383.64	9.54	-57.10
C[NH+](C)C(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635391	0	55	0.0	-72.47	431.04	11.52	-60.95
C[NH+](C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635392	0	49	0.0	-79.25	377.69	6.49	-72.76
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1=CC=C(F)C=C1	REAL300013635393	0	52	0.0	-79.21	412.02	9.68	-69.53
C[NH+](C)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1=CC=C(F)C=C1	REAL300013635394	0	55	0.0	-82.86	416.94	9.70	-73.16
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)CC1	REAL300013635395	0	55	0.0	-78.61	411.54	9.09	-69.52
C[NH+](C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C1=CC=C(F)C=C1	REAL300013635396	0	46	0.0	-82.37	369.23	7.22	-75.15
C[NH+](C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1=CC=C(F)C=C1	REAL300013635397	0	57	0.0	-74.39	414.67	9.23	-65.16
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013635398	0	51	0.0	-72.47	389.85	8.66	-63.81
C[NH+](C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013635399	0	54	0.0	-81.69	410.47	9.84	-71.85
C[NH+](C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013635400	0	51	0.0	-79.22	385.85	9.60	-69.62
C[NH+](C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013635401	0	52	0.0	-79.63	402.41	9.01	-70.62
C[NH+](C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635402	0	51	0.0	-75.97	393.41	8.20	-67.77
C[NH+](C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635403	0	51	0.0	-75.76	389.51	8.64	-67.12
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C1=CC=C(F)C=C1	REAL300013635404	0	52	0.0	-74.23	399.06	7.08	-67.15
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)C1=CC=C(F)C=C1	REAL300013635405	0	49	0.0	-70.03	380.70	5.75	-64.28
C[NH+](C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=C(F)C=C1	REAL300013635406	0	46	0.0	-78.05	370.03	7.71	-70.34
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013635407	0	45	0.0	-64.23	358.84	7.24	-56.99
C[NH+](C)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1=CC=C(F)C=C1	REAL300013635408	0	52	0.0	-71.76	396.15	9.70	-62.06
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1=CC=C(F)C=C1	REAL300013635409	0	48	0.0	-71.33	387.81	8.78	-62.55
C[NH+](C)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635410	0	49	0.0	-62.24	372.70	9.06	-53.18
C[NH+](C)C(CNC(=O)N1CC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635411	0	42	0.0	-71.10	339.91	7.29	-63.81
COC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=C(F)C=C2)[NH+](C)C)C1	REAL300013635412	0	52	0.0	-69.65	398.95	8.02	-61.63
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013635413	0	45	0.0	-78.62	355.01	8.00	-70.62
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=C(F)C=C1	REAL300013635414	0	46	0.0	-83.06	366.21	8.62	-74.44
CC(CCC(=O)[O-])NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C	REAL300013635415	0	47	0.0	-69.50	369.99	8.33	-61.17
O=C([O-])CCNC(=O)NCC1=CC=CC(NC(=O)CC[NH+]2CCOCC2)=C1	REAL300013635439	1	53	0.0	-82.79	423.86	4.10	-78.69
O=C([O-])CCCNC(=O)NCC1=CC=CC(NC(=O)CC[NH+]2CCOCC2)=C1	REAL300013635440	1	56	0.0	-80.30	445.36	4.89	-75.41
CC(CNC(=O)NCC1=CC=CC(NC(=O)CC[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300013635441	1	56	0.0	-84.25	442.41	4.85	-79.40
O=C([O-])C1CN(C(=O)NCC2=CC(NC(=O)CC[NH+]3CCOCC3)=CC=C2)C1	REAL300013635442	1	54	0.0	-76.18	431.31	5.67	-70.51
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=CC3=CC=CC=C32)CC1	REAL300013635476	1	52	0.0	-42.46	407.69	8.19	-34.27
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC(=O)NC2=CC=C(Cl)C=C2)CC1	REAL300013635576	1	52	0.0	-41.71	426.00	6.57	-35.14
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(C3=CC=CC=C3)O2)CC1	REAL300013635643	1	49	0.0	-37.53	393.41	8.15	-29.38
O=C([O-])C[NH+]1CCC(NC(=O)NCCCOCCC2=CC=CC=C2)CC1	REAL300013635718	1	55	0.0	-37.22	431.27	7.85	-29.37
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013635770	0	51	0.0	-68.58	359.54	7.86	-60.72
CC(C)(C)[NH+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013635771	0	51	0.0	-73.13	383.56	7.51	-65.62
CC(C)(C)[NH+]1CCC(NC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013635772	0	49	0.0	-60.79	352.54	6.33	-54.46
CC(C)(C)[NH+]1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013635773	0	54	0.0	-65.38	381.76	7.61	-57.77
CC(C)(C)[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013635774	0	51	0.0	-73.22	383.56	7.50	-65.72
CC(C)(C)[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013635775	0	53	0.0	-70.47	388.80	6.97	-63.50
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013635776	0	61	0.0	-70.13	432.48	11.20	-58.93
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013635777	0	51	0.0	-71.14	366.62	7.43	-63.71
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1	REAL300013635778	0	54	0.0	-57.54	381.39	8.45	-49.09
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013635779	0	54	0.0	-71.72	373.04	8.19	-63.53
CC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1C(=O)[O-]	REAL300013635780	0	54	0.0	-73.77	370.16	8.10	-65.67
CC(C)(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013635781	0	55	0.0	-62.17	385.88	5.56	-56.61
CC(C)(C)[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013635782	0	53	0.0	-67.69	379.09	6.29	-61.40
CCC(CC)(CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300013635783	0	56	0.0	-62.66	391.39	7.09	-55.57
CC(C)C(CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300013635784	0	53	0.0	-60.03	375.33	6.69	-53.34
CC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013635785	0	60	0.0	-73.50	422.64	8.49	-65.01
CC(C)(C)[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013635786	0	57	0.0	-62.55	414.68	8.73	-53.82
CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013635787	0	51	0.0	-67.04	367.52	6.68	-60.36
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013635788	0	57	0.0	-69.98	400.39	9.34	-60.64
CC(C)(C)[NH+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013635789	0	53	0.0	-69.49	377.82	6.04	-63.45
CC(C)(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013635790	0	54	0.0	-60.85	384.27	7.46	-53.39
CC1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCC1C(=O)[O-]	REAL300013635791	0	54	0.0	-68.16	372.95	8.59	-59.57
CC(C)(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013635792	0	51	0.0	-60.28	367.18	6.61	-53.67
CC(C)(C)[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013635793	0	54	0.0	-70.41	391.31	7.39	-63.02
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013635794	0	54	0.0	-71.72	373.04	8.19	-63.53
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)CC(=O)[O-]	REAL300013635795	0	59	0.0	-66.40	412.31	7.79	-58.61
CC(C)(C)[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013635796	0	51	0.0	-67.07	377.17	7.62	-59.45
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1	REAL300013635797	0	55	0.0	-74.71	397.67	6.73	-67.98
CC(C)(C)[NH+]1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013635798	0	56	0.0	-69.38	399.29	5.03	-64.35
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)C=N1	REAL300013635799	0	61	0.0	-76.60	443.01	9.17	-67.43
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013635800	0	51	0.0	-57.28	359.84	7.86	-49.42
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013635801	0	51	0.0	-73.74	360.37	7.89	-65.85
CC(C)(C)[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013635802	0	51	0.0	-73.22	383.56	7.50	-65.72
COC(=O)C1CC2(C1)CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)CC2C(=O)[O-]	REAL300013635803	0	61	0.0	-66.81	444.11	9.37	-57.44
CC(C)(C)[NH+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013635804	0	57	0.0	-75.07	393.57	9.27	-65.80
CC(C)(C)[NH+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013635805	0	59	0.0	-72.39	431.79	8.53	-63.86
CC(C)(C)[NH+]1CCC(NC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013635806	0	56	0.0	-72.93	410.29	7.75	-65.18
CC(C)(C)[NH+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013635807	0	54	0.0	-74.71	375.21	8.64	-66.07
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1	REAL300013635808	0	58	0.0	-78.57	407.34	7.77	-70.80
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300013635809	0	54	0.0	-56.26	395.13	7.15	-49.11
CC(C)(C)[NH+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013635810	0	57	0.0	-73.62	400.69	9.32	-64.30
CC(C)(C)[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013635811	0	55	0.0	-73.56	392.97	10.63	-62.93
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCO1	REAL300013635812	0	62	0.0	-72.08	448.49	8.50	-63.58
CC(C)(C)[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013635813	0	52	0.0	-65.41	372.74	6.66	-58.75
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300013635814	0	54	0.0	-58.35	377.00	8.49	-49.86
CC(C)(C)[NH+]1CCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013635815	0	58	0.0	-63.60	423.05	10.47	-53.13
CC(C)(C)[NH+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013635816	0	52	0.0	-71.50	369.99	5.43	-66.07
CC(C)(C)[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013635817	0	55	0.0	-69.19	401.77	8.50	-60.69
CC(C)(C)[NH+]1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013635818	0	58	0.0	-80.86	411.89	7.71	-73.15
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1	REAL300013635819	0	58	0.0	-74.85	405.05	7.29	-67.56
CC(C)(C)[NH+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013635820	0	49	0.0	-73.26	361.03	6.19	-67.07
CC(C)(C)[NH+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013635821	0	60	0.0	-66.94	407.22	8.16	-58.78
CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013635822	0	54	0.0	-64.29	381.78	7.62	-56.67
CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013635823	0	57	0.0	-71.83	404.62	7.88	-63.95
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013635824	0	54	0.0	-64.35	378.08	8.56	-55.79
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013635825	0	55	0.0	-72.27	394.62	7.94	-64.33
CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013635826	0	54	0.0	-68.48	385.68	7.17	-61.31
CC(C)(C)[NH+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013635827	0	54	0.0	-65.47	381.23	7.59	-57.88
CC(C)(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013635828	0	55	0.0	-64.01	391.03	6.03	-57.98
CC(C)(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013635829	0	52	0.0	-60.30	372.94	4.74	-55.56
CC(C)(C)[NH+]1CCC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013635830	0	63	0.0	-72.40	458.19	9.88	-62.52
CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013635831	0	49	0.0	-68.29	362.72	6.68	-61.61
CC(C)(C)[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013635832	0	55	0.0	-62.57	388.06	8.67	-53.90
CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013635833	0	51	0.0	-63.98	379.74	7.71	-56.27
CC(C)(C)[NH+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013635834	0	52	0.0	-75.15	368.17	7.10	-68.05
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1	REAL300013635835	0	55	0.0	-59.18	391.41	6.95	-52.23
CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013635836	0	49	0.0	-73.10	361.71	6.70	-66.40
CCC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013635961	1	51	0.0	-41.23	390.01	8.28	-32.95
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CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636359	0	52	0.0	-77.87	404.10	9.51	-68.36
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636359	1	52	0.0	-78.23	405.45	9.83	-68.40
CC(CNC(=O)N1CCOC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636360	0	50	0.0	-59.95	373.06	8.32	-51.63
CC(CNC(=O)N1CCOC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636360	1	50	0.0	-59.94	373.10	8.37	-51.57
CC(CNC(=O)NC1CCC(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636361	0	55	0.0	-79.26	406.73	9.21	-70.05
CC(CNC(=O)NC1CCC(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636361	1	55	0.0	-68.07	402.33	9.90	-58.17
CC(CNC(=O)NCCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636362	0	51	0.0	-76.29	387.84	8.19	-68.10
CC(CNC(=O)NCCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013636362	1	51	0.0	-77.45	388.05	8.13	-69.32
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636363	0	52	0.0	-75.59	404.11	9.51	-66.08
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636363	1	52	0.0	-77.64	405.46	9.83	-67.81
CC(CNC(=O)NCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636364	0	45	0.0	-72.02	344.84	6.61	-65.41
CC(CNC(=O)NCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013636364	1	45	0.0	-73.36	345.06	6.57	-66.79
CC(CNC(=O)NCCCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636365	0	54	0.0	-75.18	409.34	8.97	-66.21
CC(CNC(=O)NCCCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013636365	1	54	0.0	-75.42	409.06	8.94	-66.48
CC(CNC(=O)NCC(C)(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636366	0	51	0.0	-75.90	380.28	8.07	-67.83
CC(CNC(=O)NCC(C)(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013636366	1	51	0.0	-76.01	379.42	8.06	-67.95
CC(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636367	0	52	0.0	-73.39	385.56	9.82	-63.57
CC(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636367	1	52	0.0	-78.53	384.29	9.41	-69.12
CC(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636368	0	55	0.0	-80.34	401.84	10.42	-69.92
CC(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636368	1	55	0.0	-56.44	396.27	10.59	-45.85
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636369	0	55	0.0	-75.42	393.49	10.05	-65.37
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636369	1	55	0.0	-75.67	393.47	10.16	-65.51
CC(CNC(=O)NCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636370	0	48	0.0	-70.07	366.34	7.41	-62.66
CC(CNC(=O)NCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013636370	1	48	0.0	-70.22	366.07	7.38	-62.84
CC(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636371	0	55	0.0	-56.04	390.61	10.03	-46.01
CC(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636371	1	55	0.0	-80.18	401.18	10.75	-69.43
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636372	0	56	0.0	-62.69	406.45	7.50	-55.19
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636372	1	56	0.0	-63.56	407.81	7.89	-55.67
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636373	0	54	0.0	-71.30	399.04	8.28	-63.02
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013636373	1	54	0.0	-72.14	399.26	8.23	-63.91
CCC(CC)(CNC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013636374	0	57	0.0	-62.79	411.93	9.09	-53.70
CCC(CC)(CNC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013636374	1	57	0.0	-62.50	411.66	9.07	-53.43
CC(CNC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013636375	0	48	0.0	-73.86	363.36	7.36	-66.50
CC(CNC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013636375	1	48	0.0	-74.03	363.11	7.34	-66.69
CC(C)C(CNC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013636376	0	54	0.0	-60.51	394.75	8.67	-51.84
CC(C)C(CNC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013636376	1	54	0.0	-61.45	397.08	8.61	-52.84
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636377	0	61	0.0	-79.12	441.85	10.11	-69.01
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636377	1	61	0.0	-79.69	441.62	10.11	-69.58
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636378	0	58	0.0	-63.35	435.19	10.72	-52.63
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636378	1	58	0.0	-60.25	430.04	10.91	-49.34
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636379	0	52	0.0	-66.92	387.82	8.65	-58.27
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636379	1	52	0.0	-71.34	387.67	8.59	-62.75
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636380	0	58	0.0	-76.00	420.87	11.26	-64.74
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636380	1	58	0.0	-77.09	420.78	11.26	-65.83
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636381	0	54	0.0	-73.77	397.25	8.12	-65.65
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636381	1	54	0.0	-74.90	398.24	7.93	-66.97
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636382	0	55	0.0	-62.17	404.88	9.38	-52.79
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636382	1	55	0.0	-63.06	406.24	9.78	-53.28
CC(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636383	0	55	0.0	-72.12	392.85	10.51	-61.61
CC(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636383	1	55	0.0	-71.77	393.17	10.60	-61.17
CC(CNC(=O)NCC1(C(=O)[O-])CCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636384	0	52	0.0	-59.93	386.85	8.69	-51.24
CC(CNC(=O)NCC1(C(=O)[O-])CCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636384	1	52	0.0	-60.46	387.92	9.08	-51.38
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636385	0	55	0.0	-73.93	412.32	9.47	-64.46
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636385	1	55	0.0	-73.09	412.11	9.45	-63.64
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013636386	0	55	0.0	-75.42	393.49	10.05	-65.37
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013636386	1	55	0.0	-75.67	393.47	10.16	-65.51
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CC(CNC(=O)N(C)CCCC(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300013636474	1	48	0.0	-75.78	375.84	9.22	-66.56
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CC1=CC=C(C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+](C)C)C=C1	REAL300013637651	0	49	0.0	-70.56	381.78	9.21	-61.35
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013637652	0	48	0.0	-56.75	370.84	8.86	-47.89
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CC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)[NH+](C)C)C=C1	REAL300013637654	0	51	0.0	-68.94	403.38	9.38	-59.56
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CC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013637656	0	45	0.0	-66.29	354.59	7.88	-58.41
COC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=C(C)C=C2)[NH+](C)C)C1	REAL300013637657	0	55	0.0	-65.10	413.96	8.63	-56.47
CC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013637658	0	48	0.0	-74.27	366.45	9.49	-64.78
CC1=CC=C(C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+](C)C)C=C1	REAL300013637659	0	49	0.0	-77.10	384.78	8.34	-68.76
CC1=CC=C(C(CNC(=O)NC(C)CCC(=O)[O-])[NH+](C)C)C=C1	REAL300013637660	0	50	0.0	-65.00	385.61	9.03	-55.97
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CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCC(C)CC1	REAL300013637662	0	51	0.0	-74.46	386.36	7.91	-66.55
CC(CNC(=O)N1CCOC(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637663	0	49	0.0	-76.40	357.27	7.13	-69.27
CC(CNC(=O)NC1CCC(C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013637664	0	54	0.0	-64.30	383.25	7.99	-56.31
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCC(C)CC1	REAL300013637665	0	51	0.0	-74.01	386.37	7.90	-66.11
CC(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCC(C)CC1	REAL300013637666	0	53	0.0	-72.22	391.60	7.37	-64.85
CC(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013637667	0	61	0.0	-68.94	436.58	11.83	-57.11
CC(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637668	0	51	0.0	-75.45	366.62	7.90	-67.55
CC(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637669	0	54	0.0	-53.61	383.93	8.88	-44.73
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013637670	0	54	0.0	-72.91	376.54	8.57	-64.34
CC(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637671	0	54	0.0	-75.85	378.51	8.73	-67.12
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCC(C)CC1	REAL300013637672	0	55	0.0	-59.96	389.06	6.04	-53.92
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300013637673	0	53	0.0	-68.03	381.89	6.69	-61.34
CCC(CC)(CNC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013637674	0	56	0.0	-60.05	394.19	7.49	-52.56
CC(C)C(CNC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013637675	0	53	0.0	-58.58	378.13	7.10	-51.48
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCC(C)CC1	REAL300013637676	0	60	0.0	-74.50	422.49	8.78	-65.72
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300013637677	0	57	0.0	-59.56	417.48	9.13	-50.43
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637678	0	51	0.0	-63.84	370.02	7.07	-56.77
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013637679	0	57	0.0	-72.86	403.53	9.83	-63.03
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637680	0	53	0.0	-71.40	382.21	6.80	-64.60
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCC(C)CC1	REAL300013637681	0	54	0.0	-59.34	387.43	7.93	-51.41
CC(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[NH+]1CCC(C)CC1	REAL300013637682	0	54	0.0	-69.53	377.53	9.41	-60.12
CC(CNC(=O)NCC1(C(=O)[O-])CCC1)[NH+]1CCC(C)CC1	REAL300013637683	0	51	0.0	-57.17	369.45	7.23	-49.94
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCC(C)CC1	REAL300013637684	0	54	0.0	-69.84	394.60	7.87	-61.97
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013637685	0	54	0.0	-72.91	376.54	8.57	-64.34
CC(C)C[C@H](CNC(=O)NCC(C)[NH+]1CCC(C)CC1)CC(=O)[O-]	REAL300013637686	0	59	0.0	-66.86	415.09	8.24	-58.62
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300013637687	0	51	0.0	-64.97	379.97	8.02	-56.95
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)[NH+]2CCC(C)CC2)C1	REAL300013637688	0	55	0.0	-73.34	400.34	6.97	-66.37
CC(CNC(=O)NC1CCN(CC(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013637689	0	56	0.0	-71.09	402.11	5.45	-65.64
CC(CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)[NH+]1CCC(C)CC1	REAL300013637690	0	61	0.0	-59.39	447.59	9.96	-49.43
CC(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637691	0	51	0.0	-53.01	362.91	8.34	-44.67
CC(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637692	0	51	0.0	-54.85	364.88	8.67	-46.18
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCC(C)CC1	REAL300013637693	0	51	0.0	-74.01	386.37	7.90	-66.11
COC(=O)C1CC2(C1)CN(C(=O)NCC(C)[NH+]1CCC(C)CC1)CC2C(=O)[O-]	REAL300013637694	0	61	0.0	-65.93	448.66	10.14	-55.79
CC(CNC(=O)N1CCCCC1CCC(=O)[O-])[NH+]1CCC(C)CC1	REAL300013637695	0	57	0.0	-77.52	398.81	10.06	-67.46
CC(CNC(=O)NCCCCCCCC(=O)[O-])[NH+]1CCC(C)CC1	REAL300013637696	0	59	0.0	-74.63	434.60	8.93	-65.70
CC(CNC(=O)NCCCCCCC(=O)[O-])[NH+]1CCC(C)CC1	REAL300013637697	0	56	0.0	-75.64	413.10	8.15	-67.49
CC(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637698	0	54	0.0	-77.84	379.73	9.44	-68.40
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)[NH+]2CCC(C)CC2)C1	REAL300013637699	0	58	0.0	-59.55	413.26	8.86	-50.69
COCCN(CCC(=O)[O-])C(=O)NCC(C)[NH+]1CCC(C)CC1	REAL300013637700	0	54	0.0	-51.36	397.92	7.56	-43.80
CC(CNC(=O)N1CCCC(CCC(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637701	0	57	0.0	-60.59	405.36	10.12	-50.47
CC(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637702	0	55	0.0	-77.40	397.54	11.43	-65.97
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC(C)[NH+]2CCC(C)CC2)CCO1	REAL300013637703	0	62	0.0	-74.90	451.26	8.93	-65.97
CC(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013637704	0	52	0.0	-70.35	375.40	6.95	-63.40
CC(CNC(=O)N1CC(C(=O)[O-])CCC1C)[NH+]1CCC(C)CC1	REAL300013637705	0	54	0.0	-54.56	380.10	9.24	-45.32
CC(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637706	0	58	0.0	-61.79	425.78	10.90	-50.89
CC(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637707	0	52	0.0	-73.42	374.48	6.24	-67.18
CC(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)[NH+]1CCC(C)CC1	REAL300013637708	0	55	0.0	-71.33	410.83	9.51	-61.82
CC(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)[NH+]1CCC(C)CC1	REAL300013637709	0	58	0.0	-78.75	416.45	8.51	-70.24
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)[NH+]2CCC(C)CC2)CC1	REAL300013637710	0	58	0.0	-75.62	406.71	8.43	-67.19
CC(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[NH+]1CCC(C)CC1	REAL300013637711	0	49	0.0	-75.95	365.60	6.97	-68.98
CC(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)[NH+]1CCC(C)CC1	REAL300013637712	0	60	0.0	-65.25	410.13	8.59	-56.66
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013637713	0	54	0.0	-64.74	384.99	8.35	-56.39
CC(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013637714	0	57	0.0	-74.64	408.90	8.33	-66.31
CC(CNC(=O)N1CCC(CC(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013637715	0	54	0.0	-64.25	381.22	9.05	-55.20
CC(CNC(=O)N1CCC(OCC(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013637716	0	55	0.0	-75.61	397.75	8.44	-67.17
CC(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637717	0	54	0.0	-69.19	389.52	7.33	-61.86
CC(CNC(=O)NC1CCCC(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637718	0	54	0.0	-69.32	388.62	7.62	-61.70
CC(CNC(=O)NCC1(C(=O)[O-])CCCOC1)[NH+]1CCC(C)CC1	REAL300013637719	0	55	0.0	-57.39	391.31	6.23	-51.16
CC(CNC(=O)NCC1(C(=O)[O-])CCOC1)[NH+]1CCC(C)CC1	REAL300013637720	0	52	0.0	-56.87	376.12	5.21	-51.66
CC(CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)[NH+]1CCC(C)CC1	REAL300013637721	0	63	0.0	-74.44	461.58	10.29	-64.15
CC(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCC(C)CC1	REAL300013637722	0	49	0.0	-68.12	365.27	7.10	-61.02
CC(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)[NH+]1CCC(C)CC1	REAL300013637723	0	55	0.0	-60.60	392.58	9.47	-51.13
CC(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[NH+]1CCC(C)CC1	REAL300013637724	0	51	0.0	-65.70	382.55	8.13	-57.57
CC(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013637725	0	52	0.0	-77.77	370.92	7.53	-70.24
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)[NH+]2CCC(C)CC2)C1	REAL300013637726	0	55	0.0	-78.77	395.18	7.72	-71.05
CC(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCC(C)CC1	REAL300013637727	0	49	0.0	-75.20	366.62	7.46	-67.74
CC[NH+](CC)C(CNC(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CO1	REAL300013637728	0	51	0.0	-69.09	372.12	9.01	-60.08
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CC[NH+](CC)C(CNC(=O)N1CCOC(C(=O)[O-])C1)C1=CC=CO1	REAL300013637730	0	49	0.0	-71.37	367.64	6.92	-64.45
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CC[NH+](CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013637748	0	51	0.0	-61.34	382.21	7.13	-54.21
CC[NH+](CC)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C1=CC=CO1	REAL300013637749	0	57	0.0	-74.06	412.97	10.49	-63.57
CC[NH+](CC)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1=CC=CO1	REAL300013637750	0	53	0.0	-68.25	392.13	6.64	-61.61
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CO1	REAL300013637751	0	54	0.0	-57.36	394.57	7.97	-49.39
CC[NH+](CC)C(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)C1=CC=CO1	REAL300013637752	0	54	0.0	-69.06	385.57	9.75	-59.31
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCC1)C1=CC=CO1	REAL300013637753	0	51	0.0	-54.75	377.50	7.12	-47.63
CC[NH+](CC)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CO1	REAL300013637754	0	54	0.0	-68.49	407.33	7.89	-60.60
CC[NH+](CC)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CO1	REAL300013637755	0	54	0.0	-66.41	387.86	8.54	-57.87
CC[NH+](CC)C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1=CC=CO1	REAL300013637756	0	59	0.0	-64.69	427.90	8.19	-56.50
CC[NH+](CC)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CO1	REAL300013637757	0	51	0.0	-59.59	393.33	8.05	-51.54
CC[NH+](CC)C(CNC(=O)N1CCC(COC)(C(=O)[O-])C1)C1=CC=CO1	REAL300013637758	0	55	0.0	-67.37	413.15	7.02	-60.35
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013637759	0	48	0.0	-64.98	365.76	6.48	-58.50
CC[NH+](CC)C(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C1=CC=CO1	REAL300013637760	0	56	0.0	-67.82	412.98	5.52	-62.30
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013637761	0	51	0.0	-73.96	375.59	8.31	-65.65
CC[NH+](CC)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013637762	0	51	0.0	-54.59	375.09	8.82	-45.77
CC[NH+](CC)C(CNC(=O)NC1CC(C(=O)[O-])C1)C1=CC=CO1	REAL300013637763	0	48	0.0	-66.24	360.89	6.63	-59.61
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013637764	0	48	0.0	-69.25	361.48	6.94	-62.31
CC[NH+](CC)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CO1	REAL300013637765	0	51	0.0	-71.98	399.07	7.92	-64.06
CCC(CNC(=O)NCC(C1=CC=CO1)[NH+](CC)CC)C(=O)[O-]	REAL300013637766	0	50	0.0	-55.52	374.93	6.66	-48.86
CC[NH+](CC)C(CNC(=O)N1CCCCC1CCC(=O)[O-])C1=CC=CO1	REAL300013637767	0	57	0.0	-76.64	409.48	9.70	-66.94
CC[NH+](CC)C(CNC(=O)NCCCCCCCC(=O)[O-])C1=CC=CO1	REAL300013637768	0	59	0.0	-71.59	446.06	9.07	-62.52
CC[NH+](CC)C(CNC(=O)NCCCCCCC(=O)[O-])C1=CC=CO1	REAL300013637769	0	56	0.0	-72.41	424.56	8.29	-64.12
CC[NH+](CC)C(CNC(=O)N(C)CCCC(=O)[O-])C1=CC=CO1	REAL300013637770	0	50	0.0	-70.74	377.69	8.33	-62.41
CC[NH+](CC)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=CO1	REAL300013637771	0	54	0.0	-71.78	390.86	9.22	-62.56
CC[NH+](CC)C(CNC(=O)N1CCCC(COC)(C(=O)[O-])C1)C1=CC=CO1	REAL300013637772	0	58	0.0	-81.17	418.08	8.63	-72.54
CC[NH+](CC)C(CNC(=O)N(CCOC)CCC(=O)[O-])C1=CC=CO1	REAL300013637773	0	54	0.0	-50.39	409.39	7.69	-42.70
CC[NH+](CC)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C1=CC=CO1	REAL300013637774	0	57	0.0	-77.07	413.36	10.49	-66.58
CC[NH+](CC)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1=CC=CO1	REAL300013637775	0	55	0.0	-72.08	408.73	11.09	-60.99
CC[NH+](CC)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1=CC=CO1	REAL300013637776	0	52	0.0	-63.87	382.83	7.36	-56.51
CC[NH+](CC)C(CNC(=O)N1CC(C(=O)[O-])CCC1C)C1=CC=CO1	REAL300013637777	0	54	0.0	-50.10	392.65	8.94	-41.16
CC[NH+](CC)C(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013637778	0	58	0.0	-58.55	438.27	10.96	-47.59
CC[NH+](CC)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=CO1	REAL300013637779	0	52	0.0	-73.30	382.93	6.60	-66.70
CC[NH+](CC)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1=CC=CO1	REAL300013637780	0	55	0.0	-68.71	420.50	9.28	-59.43
CC[NH+](CC)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1=CC=CO1	REAL300013637781	0	58	0.0	-74.05	426.46	8.20	-65.85
CC[NH+](CC)C(CNC(=O)N1CCC(COC)(C(=O)[O-])CC1)C1=CC=CO1	REAL300013637782	0	58	0.0	-68.98	418.25	8.58	-60.40
CC[NH+](CC)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C1=CC=CO1	REAL300013637783	0	49	0.0	-73.24	376.85	6.73	-66.51
CC[NH+](CC)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1=CC=CO1	REAL300013637784	0	60	0.0	-61.16	423.02	8.60	-52.56
CC[NH+](CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1=CC=CO1	REAL300013637785	0	54	0.0	-60.62	394.94	8.09	-52.53
CC[NH+](CC)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=CO1	REAL300013637786	0	57	0.0	-72.05	420.23	8.35	-63.70
CC[NH+](CC)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)C1=CC=CO1	REAL300013637787	0	54	0.0	-73.32	390.66	9.71	-63.61
CC[NH+](CC)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C1=CC=CO1	REAL300013637788	0	55	0.0	-73.82	407.19	9.11	-64.71
CC[NH+](CC)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013637789	0	54	0.0	-67.50	401.39	7.64	-59.86
CC[NH+](CC)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)C1=CC=CO1	REAL300013637790	0	54	0.0	-65.25	391.60	8.57	-56.68
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C1=CC=CO1	REAL300013637791	0	55	0.0	-56.71	406.85	6.50	-50.21
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)C1=CC=CO1	REAL300013637792	0	52	0.0	-55.95	389.10	5.17	-50.78
CC[NH+](CC)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CO1	REAL300013637793	0	49	0.0	-67.19	378.26	7.22	-59.97
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CC1)C1=CC=CO1	REAL300013637794	0	48	0.0	-51.73	361.40	6.74	-44.99
CC[NH+](CC)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1=CC=CO1	REAL300013637795	0	55	0.0	-58.58	404.45	9.32	-49.26
CC[NH+](CC)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1=CC=CO1	REAL300013637796	0	51	0.0	-63.78	395.70	8.20	-55.58
CC[NH+](CC)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CO1	REAL300013637797	0	52	0.0	-74.70	383.19	7.58	-67.12
CC[NH+](CC)C(CNC(=O)N1CC(C(=O)[O-])C1)C1=CC=CO1	REAL300013637798	0	45	0.0	-59.25	347.68	6.63	-52.62
CC[NH+](CC)C(CNC(=O)N1CC(OC)CC(C(=O)[O-])C1)C1=CC=CO1	REAL300013637799	0	55	0.0	-74.51	405.36	7.18	-67.33
CC[NH+](CC)C(CNC(=O)N1CCC(C(=O)[O-])C1)C1=CC=CO1	REAL300013637800	0	48	0.0	-71.01	359.17	8.17	-62.84
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CO1	REAL300013637801	0	49	0.0	-73.47	371.04	7.39	-66.08
CC[NH+](CC)C(CNC(=O)NC(C)CCC(=O)[O-])C1=CC=CO1	REAL300013637802	0	50	0.0	-63.60	379.82	6.96	-56.64
CC(COCC(F)(F)F)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013637833	1	45	0.0	-37.92	366.81	4.68	-33.24
COC1=CC=C(CCC(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013637907	1	55	0.0	-38.13	425.01	8.09	-30.04
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300013638036	1	45	0.0	-40.15	371.92	7.74	-32.41
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=CC=C2Cl)CC1	REAL300013638102	1	45	0.0	-42.33	367.32	7.42	-34.91
CC1=CC=C(OCC(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013638172	1	52	0.0	-36.28	403.39	7.46	-28.82
CC(C)CCOCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013638235	1	51	0.0	-35.79	388.86	5.38	-30.41
CCCCOCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013638279	1	48	0.0	-35.88	371.29	4.87	-31.01
O=C([O-])C1CCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300013638302	0	55	0.0	-73.25	399.16	10.32	-62.93
O=C([O-])C1CCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300013638302	1	55	0.0	-70.45	402.16	10.94	-59.51
O=C([O-])C1=CC=C(CNC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300013638303	0	55	0.0	-76.06	426.33	10.57	-65.49
O=C([O-])C1=CC=C(CNC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300013638303	1	55	0.0	-75.58	426.16	10.56	-65.02
O=C([O-])C1CN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCO1	REAL300013638304	0	53	0.0	-75.66	395.23	9.39	-66.27
O=C([O-])C1CN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCO1	REAL300013638304	1	53	0.0	-76.92	391.04	8.72	-68.20
O=C([O-])C1CCC(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300013638305	0	58	0.0	-66.55	423.20	10.64	-55.91
O=C([O-])C1CCC(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300013638305	1	58	0.0	-66.51	423.13	10.64	-55.87
O=C([O-])CCCCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013638306	0	54	0.0	-73.11	400.93	8.57	-64.54
O=C([O-])CCCCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013638306	1	54	0.0	-74.13	410.01	9.26	-64.87
O=C([O-])C1=CC(CNC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)=CC=C1	REAL300013638307	0	55	0.0	-73.71	417.19	9.89	-63.82
O=C([O-])C1=CC(CNC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)=CC=C1	REAL300013638307	1	55	0.0	-72.65	417.24	9.89	-62.76
O=C([O-])CCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013638308	0	48	0.0	-68.75	357.93	7.00	-61.75
O=C([O-])CCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013638308	1	48	0.0	-70.05	367.02	7.69	-62.36
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013638309	0	57	0.0	-71.82	422.42	9.35	-62.47
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013638309	1	57	0.0	-73.04	431.51	10.04	-63.00
CC(C)(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013638310	0	54	0.0	-72.68	393.37	8.45	-64.23
CC(C)(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013638310	1	54	0.0	-73.63	401.87	9.16	-64.47
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013638311	0	55	0.0	-71.10	406.90	10.65	-60.45
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013638311	1	55	0.0	-73.40	402.12	9.87	-63.53
CC1CC(C(=O)[O-])CN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013638312	0	58	0.0	-76.53	419.20	11.79	-64.74
CC1CC(C(=O)[O-])CN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013638312	1	58	0.0	-76.92	418.67	11.77	-65.15
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300013638313	0	58	0.0	-70.18	411.07	10.48	-59.70
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300013638313	1	58	0.0	-72.11	415.62	11.18	-60.93
O=C([O-])CCCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013638314	0	51	0.0	-68.34	388.57	8.46	-59.88
O=C([O-])CCCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013638314	1	51	0.0	-68.35	388.51	8.48	-59.87
CC1CCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300013638315	0	58	0.0	-74.81	418.42	11.40	-63.41
CC1CCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300013638315	1	58	0.0	-78.92	418.42	10.83	-68.09
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCOCC1	REAL300013638316	0	59	0.0	-59.34	419.51	7.95	-51.39
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCOCC1	REAL300013638316	1	59	0.0	-61.00	428.59	8.64	-52.36
CC(C)(CCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013638317	0	57	0.0	-69.45	421.86	9.36	-60.09
CC(C)(CCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013638317	1	57	0.0	-69.93	417.21	8.65	-61.28
CCC(CC)(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013638318	0	60	0.0	-58.76	425.02	9.48	-49.28
CCC(CC)(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013638318	1	60	0.0	-62.31	434.10	10.17	-52.14
CC(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013638319	0	51	0.0	-70.63	376.48	7.75	-62.88
CC(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013638319	1	51	0.0	-71.62	385.56	8.44	-63.18
CC(C)C(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013638320	0	57	0.0	-59.48	419.11	9.73	-49.75
CC(C)C(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013638320	1	57	0.0	-60.41	419.04	9.74	-50.67
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013638321	0	55	0.0	-69.55	405.85	9.06	-60.49
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013638321	1	55	0.0	-65.88	409.94	9.73	-56.15
O=C([O-])CCC1CCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300013638322	0	61	0.0	-73.71	438.47	11.71	-62.00
O=C([O-])CCC1CCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300013638322	1	61	0.0	-74.39	443.01	12.40	-61.99
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O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C2	REAL300013638323	1	57	0.0	-70.91	411.39	8.44	-62.47
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CC1(C)CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013639565	1	51	0.0	-35.48	369.47	6.85	-28.63
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013639591	1	55	0.0	-66.19	420.29	10.69	-55.50
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C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCCCC(=O)[O-]	REAL300013639594	1	54	0.0	-72.52	427.43	9.79	-62.73
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCCCC(=O)[O-]	REAL300013639594	1	54	0.0	-74.46	429.36	9.13	-65.33
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCC(=O)[O-]	REAL300013639595	1	48	0.0	-68.55	384.44	8.23	-60.32
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCC(=O)[O-]	REAL300013639595	1	48	0.0	-70.38	386.37	7.55	-62.83
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013639596	1	57	0.0	-71.60	448.93	10.57	-61.03
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013639596	1	57	0.0	-73.66	450.86	9.91	-63.75
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013639597	1	54	0.0	-75.14	420.37	8.89	-66.25
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013639597	1	54	0.0	-73.68	421.80	9.01	-64.67
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CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC=C2C[N@H+](C)CC2=CC=CO2)C1	REAL300013639599	1	58	0.0	-56.26	431.92	12.34	-43.92
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC=C2C[N@@H+](C)CC2=CC=CO2)C1	REAL300013639599	1	58	0.0	-60.94	443.37	11.40	-49.54
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013639600	1	58	0.0	-71.96	431.23	11.85	-60.11
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C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013639601	1	51	0.0	-67.28	405.94	9.02	-58.26
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013639601	1	51	0.0	-68.82	407.87	8.35	-60.47
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@H+](C)CC2=CC=CO2)CC1C(=O)[O-]	REAL300013639602	1	58	0.0	-71.11	434.16	11.98	-59.13
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@@H+](C)CC2=CC=CO2)CC1C(=O)[O-]	REAL300013639602	1	58	0.0	-75.26	437.79	11.25	-64.01
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013639603	1	57	0.0	-68.42	438.63	9.90	-58.52
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013639603	1	57	0.0	-69.95	440.57	9.22	-60.73
CC(CNC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013639604	1	51	0.0	-73.88	404.06	8.18	-65.70
CC(CNC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013639604	1	51	0.0	-72.45	404.91	8.31	-64.14
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013639605	1	57	0.0	-57.62	442.80	9.38	-48.24
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013639605	1	57	0.0	-58.93	443.66	9.50	-49.43
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013639606	1	55	0.0	-69.98	428.64	9.50	-60.48
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013639606	1	55	0.0	-69.47	429.25	9.61	-59.86
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013639607	1	58	0.0	-67.10	445.78	10.26	-56.84
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013639607	1	58	0.0	-66.84	446.32	10.41	-56.43
CC1CN(C(=O)NCC2=CC=CC=C2C[N@H+](C)CC2=CC=CO2)CCC1C(=O)[O-]	REAL300013639608	1	58	0.0	-65.61	435.24	11.44	-54.17
CC1CN(C(=O)NCC2=CC=CC=C2C[N@@H+](C)CC2=CC=CO2)CCC1C(=O)[O-]	REAL300013639608	1	58	0.0	-65.42	435.04	11.53	-53.89
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013639609	1	55	0.0	-63.63	428.64	9.44	-54.19
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013639609	1	55	0.0	-63.97	429.25	9.55	-54.42
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013639610	1	58	0.0	-67.24	451.89	11.08	-56.16
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013639610	1	58	0.0	-68.24	453.39	10.32	-57.92
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013639611	1	58	0.0	-71.96	431.23	11.85	-60.11
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013639611	1	58	0.0	-75.84	435.75	11.13	-64.71
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013639612	1	52	0.0	-68.58	411.25	9.64	-58.94
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013639612	1	52	0.0	-70.95	413.33	8.91	-62.04
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013639613	1	55	0.0	-61.37	422.24	10.61	-50.76
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013639613	1	55	0.0	-59.77	421.83	10.78	-48.99
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013639614	1	55	0.0	-71.47	420.58	11.59	-59.88
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013639614	1	55	0.0	-57.54	422.35	10.81	-46.73
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1CC(C(=O)[O-])C1	REAL300013639615	1	52	0.0	-68.70	411.36	9.64	-59.06
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1CC(C(=O)[O-])C1	REAL300013639615	1	52	0.0	-71.02	413.33	8.90	-62.12
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013639616	1	52	0.0	-70.71	412.37	8.84	-61.87
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013639616	1	52	0.0	-69.87	413.28	8.96	-60.91
CCC(CNC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013639617	1	54	0.0	-54.40	421.00	8.99	-45.41
CCC(CNC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013639617	1	54	0.0	-58.52	426.87	9.01	-49.51
CN(CCCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300013639618	1	54	0.0	-69.87	424.64	10.63	-59.24
CN(CCCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300013639618	1	54	0.0	-68.98	425.49	10.75	-58.23
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013639619	1	58	0.0	-72.20	435.53	12.35	-59.85
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013639619	1	58	0.0	-76.62	437.23	11.56	-65.06
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300013639620	1	58	0.0	-55.26	437.67	11.31	-43.95
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300013639620	1	58	0.0	-57.23	438.98	11.44	-45.79
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013639621	1	53	0.0	-73.64	421.22	9.92	-63.72
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013639621	1	53	0.0	-76.32	423.12	9.13	-67.19
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013639622	1	58	0.0	-68.17	441.10	11.20	-56.97
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013639622	1	58	0.0	-70.92	443.83	10.56	-60.36
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013639623	1	58	0.0	-63.58	436.92	12.20	-51.38
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013639623	1	58	0.0	-68.08	440.16	11.49	-56.59
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013639624	1	58	0.0	-71.09	441.54	10.64	-60.45
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013639624	1	58	0.0	-72.98	448.36	10.12	-62.86
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013639625	1	58	0.0	-65.91	441.76	11.22	-54.69
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013639625	1	58	0.0	-66.27	443.83	10.56	-55.71
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013639626	1	53	0.0	-69.65	423.34	10.33	-59.32
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013639626	1	53	0.0	-72.09	424.82	9.62	-62.47
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CC1	REAL300013639627	1	52	0.0	-58.32	411.60	9.97	-48.35
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CC1	REAL300013639627	1	52	0.0	-60.61	413.15	9.18	-51.43
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C1	REAL300013639628	1	49	0.0	-60.95	388.09	9.78	-51.17
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C1	REAL300013639628	1	49	0.0	-63.36	394.15	9.11	-54.25
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])C1	REAL300013639629	1	52	0.0	-68.79	405.43	10.52	-58.27
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])C1	REAL300013639629	1	52	0.0	-70.99	409.03	9.91	-61.08
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013639630	1	53	0.0	-76.20	423.15	9.53	-66.67
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013639630	1	53	0.0	-74.81	423.80	9.63	-65.18
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1	REAL300013639631	1	54	0.0	-67.92	422.94	9.90	-58.02
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1	REAL300013639631	1	54	0.0	-69.70	427.62	9.36	-60.34
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1N1CCOCC1	REAL300013639663	1	58	0.0	-37.45	434.93	6.58	-30.87
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013639698	1	46	0.0	-69.21	359.62	8.31	-60.90
CC1=[NH+]C=CN1CCCCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013639699	1	46	0.0	-72.78	383.72	7.96	-64.82
CC1=[NH+]C=CN1CCCCNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013639700	1	44	0.0	-61.14	352.76	6.79	-54.35
CC1=[NH+]C=CN1CCCCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013639701	1	49	0.0	-66.03	381.92	8.08	-57.95
CC1=[NH+]C=CN1CCCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013639702	1	46	0.0	-72.96	383.72	7.95	-65.01
CC1=[NH+]C=CN1CCCCNC(=O)NCCCCCC(=O)[O-]	REAL300013639703	1	48	0.0	-71.00	388.95	7.41	-63.59
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013639704	1	56	0.0	-69.81	432.22	11.42	-58.39
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013639705	1	46	0.0	-71.36	366.81	7.90	-63.46
CC1=[NH+]C=CN1CCCCNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013639706	1	49	0.0	-58.69	380.80	8.90	-49.79
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013639707	1	49	0.0	-71.17	373.26	8.63	-62.54
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013639708	1	49	0.0	-74.20	375.87	8.78	-65.42
CC1=[NH+]C=CN1CCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013639709	1	50	0.0	-63.13	386.04	6.02	-57.11
CC1=[NH+]C=CN1CCCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013639710	1	48	0.0	-68.06	379.24	6.74	-61.32
CCC(CC)(CNC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300013639711	1	51	0.0	-62.11	386.85	7.70	-54.41
CC1=[NH+]C=CN1CCCCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013639712	1	48	0.0	-64.44	381.75	7.00	-57.44
CC1=[NH+]C=CN1CCCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013639713	1	55	0.0	-74.85	418.79	8.41	-66.44
CC1=[NH+]C=CN1CCCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013639714	1	52	0.0	-62.04	410.69	9.29	-52.75
CC1=[NH+]C=CN1CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013639715	1	46	0.0	-65.23	367.36	7.11	-58.12
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013639716	1	52	0.0	-70.66	400.47	9.80	-60.86
CC1=[NH+]C=CN1CCCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013639717	1	48	0.0	-72.63	378.16	6.49	-66.14
CC1=[NH+]C=CN1CCCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013639718	1	49	0.0	-63.34	384.42	7.90	-55.44
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013639719	1	49	0.0	-68.34	373.04	9.06	-59.28
CC1=[NH+]C=CN1CCCCNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013639720	1	46	0.0	-61.51	367.34	7.06	-54.45
CC1=[NH+]C=CN1CCCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013639721	1	49	0.0	-72.04	391.46	7.83	-64.21
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013639722	1	49	0.0	-71.17	373.26	8.63	-62.54
CC1=[NH+]C=CN1CCCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013639723	1	54	0.0	-70.08	412.44	8.28	-61.80
CC1=[NH+]C=CN1CCCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013639724	1	46	0.0	-68.92	377.34	8.06	-60.86
COCC1(C(=O)[O-])CCN(C(=O)NCCCCN2C=C[NH+]=C2C)C1	REAL300013639725	1	50	0.0	-74.48	397.68	7.03	-67.45
CC1=NC=CN1CCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013639726	1	51	0.0	-43.51	397.47	7.16	-36.35
CC1=[NH+]C=CN1CCCCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013639727	1	56	0.0	-77.32	443.12	9.61	-67.71
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013639728	1	46	0.0	-58.43	359.93	8.30	-50.13
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013639729	1	46	0.0	-60.10	361.17	8.36	-51.74
CC1=[NH+]C=CN1CCCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013639730	1	46	0.0	-72.96	383.72	7.95	-65.01
COC(=O)C1CC2(C1)CN(C(=O)NCCCCN1C=C[NH+]=C1C)CC2C(=O)[O-]	REAL300013639731	1	56	0.0	-60.72	439.39	9.65	-51.07
CC1=[NH+]C=CN1CCCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013639732	1	52	0.0	-77.58	394.34	9.73	-67.85
CC1=[NH+]C=CN1CCCCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013639733	1	54	0.0	-72.84	431.95	8.98	-63.86
CC1=[NH+]C=CN1CCCCNC(=O)NCCCCCCC(=O)[O-]	REAL300013639734	1	51	0.0	-73.69	410.45	8.20	-65.49
CC1=[NH+]C=CN1CCCCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013639735	1	49	0.0	-75.29	375.29	9.10	-66.19
COCC1(C(=O)[O-])CCCN(C(=O)NCCCCN2C=C[NH+]=C2C)C1	REAL300013639736	1	53	0.0	-78.37	406.81	8.86	-69.51
COCCN(CCC(=O)[O-])C(=O)NCCCCN1C=C[NH+]=C1C	REAL300013639737	1	49	0.0	-58.08	395.27	7.60	-50.48
CC1=[NH+]C=CN1CCCCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013639738	1	55	0.0	-76.91	433.72	9.82	-67.09
CC1=[NH+]C=CN1CCCCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013639739	1	52	0.0	-74.61	400.81	9.78	-64.83
CC1=[NH+]C=CN1CCCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013639740	1	50	0.0	-78.57	393.07	11.10	-67.47
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCCCN2C=C[NH+]=C2C)CCO1	REAL300013639741	1	57	0.0	-65.38	448.58	8.99	-56.39
CC1=[NH+]C=CN1CCCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013639742	1	47	0.0	-64.92	372.96	7.10	-57.82
CC1=[NH+]C=CN1CCCCNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013639743	1	49	0.0	-74.84	375.83	8.89	-65.95
CC1=[NH+]C=CN1CCCCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013639744	1	53	0.0	-64.21	423.15	10.94	-53.27
CC1=[NH+]C=CN1CCCCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013639745	1	47	0.0	-72.13	370.03	5.90	-66.23
CC1=[NH+]C=CN1CCCCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013639746	1	50	0.0	-71.07	406.40	9.18	-61.89
CC1=[NH+]C=CN1CCCCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013639747	1	53	0.0	-82.50	412.03	8.18	-74.32
COCC1(C(=O)[O-])CCN(C(=O)NCCCCN2C=C[NH+]=C2C)CC1	REAL300013639748	1	53	0.0	-74.20	405.27	7.75	-66.45
CC1=[NH+]C=CN1CCCCNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013639749	1	44	0.0	-73.68	361.17	6.65	-67.03
CC1=[NH+]C=CN1CCCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013639750	1	55	0.0	-64.92	407.07	8.64	-56.28
CC1=[NH+]C=CN1CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013639751	1	49	0.0	-66.06	381.96	8.08	-57.98
CC1=[NH+]C=CN1CCCCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013639752	1	52	0.0	-72.63	406.10	8.36	-64.27
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013639753	1	49	0.0	-64.87	378.16	9.02	-55.85
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013639754	1	50	0.0	-72.88	394.69	8.40	-64.48
CC1=[NH+]C=CN1CCCCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013639755	1	49	0.0	-68.44	385.85	7.64	-60.80
CC1=[NH+]C=CN1CCCCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013639756	1	49	0.0	-68.41	385.83	7.63	-60.78
CC1=[NH+]C=CN1CCCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013639757	1	50	0.0	-66.91	391.16	6.49	-60.42
CC1=[NH+]C=CN1CCCCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013639758	1	47	0.0	-62.90	373.10	5.19	-57.71
CC1=[NH+]C=CN1CCCCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013639759	1	58	0.0	-72.22	458.99	10.33	-61.89
CC1=[NH+]C=CN1CCCCNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013639760	1	44	0.0	-68.52	362.61	7.14	-61.38
CC1=[NH+]C=CN1CCCCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013639761	1	50	0.0	-63.76	389.42	9.16	-54.60
CC1=[NH+]C=CN1CCCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013639762	1	46	0.0	-65.84	379.89	8.19	-57.65
CC1=[NH+]C=CN1CCCCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013639763	1	47	0.0	-75.29	368.32	7.58	-67.71
COC1CC(C(=O)[O-])CN(C(=O)NCCCCN2C=C[NH+]=C2C)C1	REAL300013639764	1	50	0.0	-61.27	391.51	7.42	-53.85
CC1=[NH+]C=CN1CCCCNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013639765	1	44	0.0	-73.69	362.16	7.16	-66.53
C[NH+](C)C1(CNC(=O)N2CCC(C(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300013639766	0	52	0.0	-67.70	377.70	9.48	-58.22
C[NH+](C)C1(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC2=CC=CC=C2C1	REAL300013639767	0	52	0.0	-76.44	400.01	9.48	-66.96
C[NH+](C)C1(CNC(=O)N2CCOC(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639768	0	50	0.0	-76.01	371.27	8.13	-67.88
C[NH+](C)C1(CNC(=O)NC2CCC(C(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300013639769	0	55	0.0	-77.38	402.93	8.74	-68.64
C[NH+](C)C1(CNC(=O)NCCCCC(=O)[O-])CC2=CC=CC=C2C1	REAL300013639770	0	51	0.0	-74.17	384.01	7.70	-66.47
C[NH+](C)C1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC2=CC=CC=C2C1	REAL300013639771	0	52	0.0	-75.90	400.29	9.03	-66.87
C[NH+](C)C1(CNC(=O)NCCC(=O)[O-])CC2=CC=CC=C2C1	REAL300013639772	0	45	0.0	-69.61	341.02	6.12	-63.49
C[NH+](C)C1(CNC(=O)NCCCCCC(=O)[O-])CC2=CC=CC=C2C1	REAL300013639773	0	54	0.0	-72.94	405.51	8.48	-64.46
C[NH+](C)C1(CNC(=O)NCC(C)(C)C(=O)[O-])CC2=CC=CC=C2C1	REAL300013639774	0	51	0.0	-73.55	375.87	7.60	-65.95
C[NH+](C)C1(CNC(=O)N2CCC(C)(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639775	0	52	0.0	-72.75	380.27	9.50	-63.25
CC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C1	REAL300013639776	0	55	0.0	-61.10	392.54	10.66	-50.44
C[NH+](C)C1(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300013639777	0	55	0.0	-75.64	391.62	9.92	-65.72
C[NH+](C)C1(CNC(=O)NCCCC(=O)[O-])CC2=CC=CC=C2C1	REAL300013639778	0	48	0.0	-67.70	362.52	6.92	-60.78
CC1CCN(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)CC1C(=O)[O-]	REAL300013639779	0	55	0.0	-78.47	395.95	9.95	-68.52
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC2=CC=CC=C2C1	REAL300013639780	0	56	0.0	-61.81	400.70	7.58	-54.23
C[NH+](C)C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CC2=CC=CC=C2C1	REAL300013639781	0	54	0.0	-68.94	395.22	7.80	-61.14
CCC(CC)(CNC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300013639782	0	57	0.0	-61.40	408.10	8.60	-52.80
CC(CNC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300013639783	0	48	0.0	-71.13	359.56	6.88	-64.25
CC(C)C(CNC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300013639784	0	54	0.0	-62.12	398.30	8.07	-54.05
CC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013639785	0	61	0.0	-74.09	439.19	10.48	-63.61
C[NH+](C)C1(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC2=CC=CC=C2C1	REAL300013639786	0	58	0.0	-61.89	431.39	10.24	-51.65
C[NH+](C)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639787	0	52	0.0	-67.11	383.66	8.63	-58.48
C[NH+](C)C1(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300013639788	0	58	0.0	-72.89	417.01	10.87	-62.02
C[NH+](C)C1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639789	0	54	0.0	-70.33	393.86	7.72	-62.61
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC2=CC=CC=C2C1	REAL300013639790	0	55	0.0	-61.90	397.70	9.66	-52.24
CC1CN(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)CCC1C(=O)[O-]	REAL300013639791	0	55	0.0	-75.83	398.08	10.23	-65.60
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCC2)CC2=CC=CC=C2C1	REAL300013639792	0	52	0.0	-58.34	383.00	8.28	-50.06
C[NH+](C)C1(CNC(=O)NCC(CC(=O)[O-])C2CC2)CC2=CC=CC=C2C1	REAL300013639793	0	55	0.0	-69.33	408.03	8.91	-60.42
C[NH+](C)C1(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300013639794	0	55	0.0	-75.64	391.62	9.92	-65.72
CC(C)C[C@H](CNC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013639795	0	60	0.0	-64.31	429.04	9.31	-55.00
C[NH+](C)C1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC2=CC=CC=C2C1	REAL300013639796	0	52	0.0	-66.12	393.61	9.59	-56.53
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C1	REAL300013639797	0	56	0.0	-77.06	416.28	8.37	-68.69
C[NH+](C)C1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639798	0	49	0.0	-73.81	369.25	7.87	-65.94
C[NH+](C)C1(CNC(=O)NC2CCN(CC(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300013639799	0	57	0.0	-71.64	416.00	7.01	-64.63
C[NH+](C)C1(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639800	0	52	0.0	-61.14	376.33	9.82	-51.32
C[NH+](C)C1(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639801	0	52	0.0	-56.97	377.64	9.42	-47.55
C[NH+](C)C1(CNC(=O)NC2CC(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639802	0	49	0.0	-69.00	367.99	7.50	-61.50
C[NH+](C)C1(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639803	0	49	0.0	-71.51	367.48	7.54	-63.97
C[NH+](C)C1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC2=CC=CC=C2C1	REAL300013639804	0	52	0.0	-75.90	400.29	9.03	-66.87
CCC(CNC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300013639805	0	51	0.0	-57.65	381.52	7.59	-50.06
C[NH+](C)C1(CNC(=O)N2CCCCC2CCC(=O)[O-])CC2=CC=CC=C2C1	REAL300013639806	0	58	0.0	-78.26	410.45	10.79	-67.47
C[NH+](C)C1(CNC(=O)NCCCCCCCC(=O)[O-])CC2=CC=CC=C2C1	REAL300013639807	0	60	0.0	-75.64	448.51	10.04	-65.60
C[NH+](C)C1(CNC(=O)NCCCCCCC(=O)[O-])CC2=CC=CC=C2C1	REAL300013639808	0	57	0.0	-76.43	427.01	9.26	-67.17
CN(CCCC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300013639809	0	51	0.0	-70.78	380.14	9.31	-61.47
C[NH+](C)C1(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639810	0	55	0.0	-74.39	392.16	10.56	-63.83
COCC1(C(=O)[O-])CCCN(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C1	REAL300013639811	0	59	0.0	-64.58	422.88	10.37	-54.21
COCCN(CCC(=O)[O-])C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300013639812	0	55	0.0	-53.59	411.83	8.66	-44.93
C[NH+](C)C1(CNC(=O)N2CCCC(CCC(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639813	0	58	0.0	-76.06	419.40	11.11	-64.95
C[NH+](C)C1(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639814	0	56	0.0	-71.47	409.51	12.60	-58.87
C[NH+](C)C1(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300013639815	0	53	0.0	-71.10	391.11	8.45	-62.65
CC1CCC(C(=O)[O-])CN1C(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300013639816	0	55	0.0	-75.60	394.33	10.26	-65.34
C[NH+](C)C1(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639817	0	53	0.0	-61.85	386.44	7.40	-54.45
C[NH+](C)C1(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC2=CC=CC=C2C1	REAL300013639818	0	56	0.0	-77.16	424.94	10.55	-66.61
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)CC1	REAL300013639819	0	59	0.0	-70.76	420.52	9.58	-61.18
C[NH+](C)C1(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC2=CC=CC=C2C1	REAL300013639820	0	50	0.0	-81.54	380.07	8.07	-73.47
C[NH+](C)C1(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC2=CC=CC=C2C1	REAL300013639821	0	61	0.0	-71.04	423.55	10.16	-60.88
C[NH+](C)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300013639822	0	55	0.0	-61.76	397.25	9.14	-52.62
C[NH+](C)C1(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300013639823	0	58	0.0	-74.46	421.41	9.44	-65.02
C[NH+](C)C1(CNC(=O)N2CCC(CC(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300013639824	0	55	0.0	-73.78	394.70	10.09	-63.69
C[NH+](C)C1(CNC(=O)N2CCC(OCC(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300013639825	0	56	0.0	-72.85	411.30	9.52	-63.33
C[NH+](C)C1(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639826	0	55	0.0	-70.26	402.68	8.77	-61.49
C[NH+](C)C1(CNC(=O)NC2CCCC(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639827	0	55	0.0	-67.61	397.96	9.13	-58.48
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCCOC2)CC2=CC=CC=C2C1	REAL300013639828	0	56	0.0	-58.40	404.87	7.30	-51.10
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCOC2)CC2=CC=CC=C2C1	REAL300013639829	0	53	0.0	-68.88	391.65	6.56	-62.32
C[NH+](C)C1(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC2=CC=CC=C2C1	REAL300013639830	0	50	0.0	-66.37	379.24	8.24	-58.13
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300013639831	0	49	0.0	-55.41	368.44	7.93	-47.48
C[NH+](C)C1(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC2=CC=CC=C2C1	REAL300013639832	0	56	0.0	-62.48	405.92	10.25	-52.23
C[NH+](C)C1(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC2=CC=CC=C2C1	REAL300013639833	0	52	0.0	-64.70	396.74	9.70	-55.00
C[NH+](C)C1(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639834	0	53	0.0	-75.08	384.88	9.11	-65.97
C[NH+](C)C1(CNC(=O)N2CC(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639835	0	46	0.0	-62.22	348.76	7.70	-54.52
COC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+](C)C)CC3=CC=CC=C3C2)C1	REAL300013639836	0	56	0.0	-62.39	409.62	8.82	-53.57
C[NH+](C)C1(CNC(=O)N2CCC(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013639837	0	49	0.0	-71.70	363.34	8.50	-63.20
C[NH+](C)C1(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC2=CC=CC=C2C1	REAL300013639838	0	50	0.0	-76.15	378.48	8.26	-67.89
CC(CCC(=O)[O-])NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1	REAL300013639839	0	51	0.0	-66.67	382.27	7.94	-58.73
CCCC(CCC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013639954	1	57	0.0	-35.60	430.83	9.93	-25.67
O=C([O-])C[NH+]1CCC(NC(=O)NCCCOC2CCOCC2)CC1	REAL300013640028	1	53	0.0	-37.57	402.96	4.30	-33.27
COC1=CC=CC=C1C1(C)CC1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013640105	1	53	0.0	-38.12	406.17	7.80	-30.32
CC(O)CC(C)(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013640168	1	51	0.0	-36.06	374.32	3.83	-32.23
CC(C)(C)CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013640334	1	57	0.0	-39.66	425.33	9.02	-30.64
CN(C)C(=O)C1=CC=CC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013640407	1	55	0.0	-48.42	426.96	6.93	-41.49
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=COC(C3=CC=CC=C3)=N2)CC1	REAL300013640479	1	48	0.0	-39.01	389.81	4.69	-34.32
CCC1=CC=C(C(COC)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)O1	REAL300013640552	1	52	0.0	-36.15	410.13	5.98	-30.17
C[NH+]1CCN(C2=CC=C(C(F)(F)F)C=C2CNC(=O)NCCC(=O)[O-])CC1	REAL300013640594	0	50	0.0	-74.74	409.79	6.31	-68.43
COCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(C)C	REAL300013640603	1	48	0.0	-34.22	356.20	4.08	-30.14
COC1=CC=C(C(C)CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013640672	1	55	0.0	-38.07	419.51	7.43	-30.64
CCOC1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C12CCC2	REAL300013640743	1	53	0.0	-35.35	399.44	6.64	-28.71
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC(N2CCOC2=O)=C1	REAL300013640813	1	54	0.0	-47.33	419.41	7.17	-40.16
CC1=CC=C(N2CCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=O)C=C1	REAL300013640881	1	53	0.0	-44.90	409.88	7.38	-37.52
CS(=O)(=O)CCOCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013640953	1	48	0.0	-45.85	391.93	0.84	-45.01
CC1CC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1C	REAL300013641040	0	45	0.0	-75.91	346.21	6.21	-69.70
CC1CC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1C	REAL300013641040	1	45	0.0	-75.38	353.51	6.61	-68.77
CC1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@@H+]1C	REAL300013641041	0	45	0.0	-76.18	346.23	6.20	-69.98
CC1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@H+]1C	REAL300013641041	1	45	0.0	-75.69	353.52	6.60	-69.09
CC1CC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CC[N@@H+]1C	REAL300013641042	0	55	0.0	-78.61	407.62	10.48	-68.13
CC1CC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CC[N@H+]1C	REAL300013641042	1	55	0.0	-72.79	394.81	9.69	-63.10
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1C	REAL300013641043	0	49	0.0	-65.72	348.54	4.26	-61.46
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1C	REAL300013641043	1	49	0.0	-65.17	355.83	4.67	-60.50
CC(NC(=O)NC1CC[N@H+](C)C(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013641044	0	54	0.0	-76.71	384.91	6.82	-69.89
CC(NC(=O)NC1CC[N@@H+](C)C(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013641044	1	54	0.0	-75.39	384.89	6.82	-68.57
CC1CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1C	REAL300013641045	0	51	0.0	-63.90	371.97	7.67	-56.23
CC1CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1C	REAL300013641045	1	51	0.0	-67.68	377.55	7.50	-60.18
CC1CC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC[N@@H+]1C	REAL300013641046	0	51	0.0	-72.14	370.33	8.44	-63.70
CC1CC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC[N@H+]1C	REAL300013641046	1	51	0.0	-72.61	362.99	8.04	-64.57
CC1CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC[N@@H+]1C	REAL300013641047	0	47	0.0	-72.47	343.06	5.58	-66.89
CC1CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC[N@H+]1C	REAL300013641047	1	47	0.0	-71.20	347.03	5.25	-65.95
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](C)C(C)C1)CC(=O)[O-]	REAL300013641048	0	53	0.0	-72.42	375.17	6.62	-65.80
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](C)C(C)C1)CC(=O)[O-]	REAL300013641048	1	53	0.0	-68.87	382.27	6.92	-61.95
CC1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1C	REAL300013641049	0	45	0.0	-69.44	340.05	6.38	-63.06
CC1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1C	REAL300013641049	1	45	0.0	-70.30	347.15	6.69	-63.61
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CC1CC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC[N@@H+]1C	REAL300013641074	0	45	0.0	-69.19	342.62	6.50	-62.69
CC1CC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC[N@H+]1C	REAL300013641074	1	45	0.0	-66.34	342.94	6.43	-59.91
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+](C)C(C)C2)C1	REAL300013641075	0	49	0.0	-62.17	363.70	5.98	-56.19
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+](C)C(C)C2)C1	REAL300013641075	1	49	0.0	-61.78	363.57	6.00	-55.78
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O=C([O-])C[NH+]1CCC(NC(=O)NCCCCC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300013641110	1	53	0.0	-43.29	425.47	9.25	-34.04
C[N@H+](CCCOC1=CC=CC=C1CNC(=O)NCCC(=O)[O-])C1CCCC1	REAL300013641150	0	58	0.0	-71.65	446.14	8.60	-63.05
C[N@@H+](CCCOC1=CC=CC=C1CNC(=O)NCCC(=O)[O-])C1CCCC1	REAL300013641150	1	58	0.0	-71.48	446.13	8.60	-62.88
C[N@H+](CCCOC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-])C1CCCC1	REAL300013641151	0	61	0.0	-69.59	467.64	9.40	-60.19
C[N@@H+](CCCOC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-])C1CCCC1	REAL300013641151	1	61	0.0	-69.09	467.63	9.39	-59.70
CC(CNC(=O)NCC1=CC=CC=C1OCCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300013641152	0	61	0.0	-72.95	463.80	9.34	-63.61
CC(CNC(=O)NCC1=CC=CC=C1OCCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300013641152	1	61	0.0	-73.03	463.81	9.34	-63.69
C[N@H+](CCCOC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C1)C1CCCC1	REAL300013641153	0	59	0.0	-64.87	453.88	10.18	-54.69
C[N@@H+](CCCOC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C1)C1CCCC1	REAL300013641153	1	59	0.0	-64.20	453.86	10.18	-54.02
COCCC[N@H+](C)CCNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013641154	0	48	0.0	-75.76	362.42	5.67	-70.09
COCCC[N@@H+](C)CCNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013641154	1	48	0.0	-75.80	362.42	5.67	-70.13
COCCC[N@H+](C)CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013641155	0	48	0.0	-80.04	386.51	5.32	-74.72
COCCC[N@@H+](C)CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013641155	1	48	0.0	-80.05	386.52	5.32	-74.73
COCCC[N@H+](C)CCNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013641156	0	46	0.0	-65.24	355.56	4.14	-61.10
COCCC[N@@H+](C)CCNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013641156	1	46	0.0	-65.20	355.56	4.15	-61.05
COCCC[N@H+](C)CCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013641157	0	51	0.0	-80.92	389.16	5.01	-75.91
COCCC[N@@H+](C)CCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013641157	1	51	0.0	-70.52	383.40	5.40	-65.12
COCCC[N@H+](C)CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013641158	0	48	0.0	-79.05	386.52	5.30	-73.75
COCCC[N@@H+](C)CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013641158	1	48	0.0	-79.18	386.52	5.32	-73.86
COCCC[N@H+](C)CCNC(=O)NCCCCCC(=O)[O-]	REAL300013641159	0	50	0.0	-77.43	391.75	4.78	-72.65
COCCC[N@@H+](C)CCNC(=O)NCCCCCC(=O)[O-]	REAL300013641159	1	50	0.0	-77.42	391.75	4.79	-72.63
COCCC[N@H+](C)CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013641160	0	58	0.0	-76.07	435.01	8.78	-67.29
COCCC[N@@H+](C)CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013641160	1	58	0.0	-75.98	435.02	8.78	-67.20
COCCC[N@H+](C)CCNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013641161	0	48	0.0	-77.90	369.61	5.28	-72.62
COCCC[N@@H+](C)CCNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013641161	1	48	0.0	-79.73	366.75	5.33	-74.40
COCCC[N@H+](C)CCNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013641162	0	51	0.0	-61.99	383.60	6.26	-55.73
COCCC[N@@H+](C)CCNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013641162	1	51	0.0	-62.02	383.60	6.26	-55.76
COCCC[N@H+](C)CCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013641163	0	51	0.0	-77.43	375.89	5.96	-71.47
COCCC[N@@H+](C)CCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013641163	1	51	0.0	-78.02	376.06	5.99	-72.03
COCCC[N@H+](C)CCNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013641164	0	51	0.0	-80.32	378.66	6.13	-74.19
COCCC[N@@H+](C)CCNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013641164	1	51	0.0	-61.25	378.66	6.13	-55.12
COCCC[N@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013641165	0	52	0.0	-66.41	388.84	3.38	-63.03
COCCC[N@@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013641165	1	52	0.0	-64.58	389.84	3.20	-61.38
COCCC[N@H+](C)CCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013641166	0	50	0.0	-74.21	381.46	4.07	-70.14
COCCC[N@@H+](C)CCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013641166	1	50	0.0	-74.08	382.04	4.11	-69.97
CCC(CC)(CNC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300013641167	0	53	0.0	-66.83	394.34	4.91	-61.92
CCC(CC)(CNC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300013641167	1	53	0.0	-64.68	391.69	5.25	-59.43
COCCC[N@H+](C)CCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013641168	0	50	0.0	-67.71	384.55	4.37	-63.34
COCCC[N@@H+](C)CCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013641168	1	50	0.0	-67.64	384.54	4.38	-63.26
COCCC[N@H+](C)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013641169	0	57	0.0	-80.55	424.80	6.26	-74.29
COCCC[N@@H+](C)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013641169	1	57	0.0	-80.76	424.81	6.24	-74.52
COCCC[N@H+](C)CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013641170	0	54	0.0	-67.82	417.63	6.54	-61.28
COCCC[N@@H+](C)CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013641170	1	54	0.0	-65.82	413.72	6.75	-59.07
COCCC[N@H+](C)CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013641171	0	48	0.0	-70.53	370.16	4.46	-66.07
COCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013641171	1	48	0.0	-70.58	370.17	4.48	-66.10
COCCC[N@H+](C)CCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013641172	0	54	0.0	-77.45	403.27	7.15	-70.30
COCCC[N@@H+](C)CCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013641172	1	54	0.0	-77.45	403.27	7.16	-70.29
COCCC[N@H+](C)CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013641173	0	50	0.0	-75.44	380.14	3.97	-71.47
COCCC[N@@H+](C)CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013641173	1	50	0.0	-76.01	379.97	3.98	-72.03
COCCC[N@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013641174	0	51	0.0	-66.08	387.21	5.28	-60.80
COCCC[N@@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013641174	1	51	0.0	-66.22	387.21	5.28	-60.94
COCCC[N@H+](C)CCNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013641175	0	51	0.0	-74.58	375.83	6.42	-68.16
COCCC[N@@H+](C)CCNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013641175	1	51	0.0	-75.66	375.93	6.42	-69.24
COCCC[N@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013641176	0	48	0.0	-64.30	369.24	4.57	-59.73
COCCC[N@@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013641176	1	48	0.0	-64.51	370.14	4.42	-60.09
COCCC[N@H+](C)CCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013641177	0	51	0.0	-76.21	394.26	5.20	-71.01
COCCC[N@@H+](C)CCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013641177	1	51	0.0	-76.15	394.26	5.20	-70.95
COCCC[N@H+](C)CCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013641178	0	51	0.0	-77.43	375.89	5.96	-71.47
COCCC[N@@H+](C)CCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013641178	1	51	0.0	-78.02	376.06	5.99	-72.03
COCCC[N@H+](C)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013641179	0	56	0.0	-70.53	420.66	5.83	-64.70
COCCC[N@@H+](C)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013641179	1	56	0.0	-72.70	415.27	5.59	-67.11
COCCC[N@H+](C)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013641180	0	48	0.0	-70.75	380.13	5.42	-65.33
COCCC[N@@H+](C)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013641180	1	48	0.0	-70.89	380.12	5.45	-65.44
COCCC[N@H+](C)CCNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013641181	0	52	0.0	-78.69	400.47	4.40	-74.29
COCCC[N@@H+](C)CCNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013641181	1	52	0.0	-78.53	400.48	4.40	-74.13
COCCC[N@H+](C)CCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013641182	0	53	0.0	-76.40	402.25	2.87	-73.53
COCCC[N@@H+](C)CCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013641182	1	53	0.0	-76.37	402.26	2.86	-73.51
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COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013641184	0	48	0.0	-61.66	362.69	5.67	-55.99
COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013641184	1	48	0.0	-61.59	362.70	5.66	-55.93
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COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013641185	1	48	0.0	-63.32	363.93	5.74	-57.58
COCCC[N@H+](C)CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013641186	0	48	0.0	-79.05	386.52	5.30	-73.75
COCCC[N@@H+](C)CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013641186	1	48	0.0	-79.18	386.52	5.32	-73.86
COCCC[N@H+](C)CCNC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013641187	0	58	0.0	-72.42	447.05	7.17	-65.25
COCCC[N@@H+](C)CCNC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013641187	1	58	0.0	-65.26	442.19	7.01	-58.25
COCCC[N@H+](C)CCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013641188	0	54	0.0	-81.50	396.59	7.08	-74.42
COCCC[N@@H+](C)CCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013641188	1	54	0.0	-81.54	396.59	7.08	-74.46
COCCC[N@H+](C)CCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013641189	0	56	0.0	-79.57	434.75	6.34	-73.23
COCCC[N@@H+](C)CCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013641189	1	56	0.0	-79.60	434.75	6.35	-73.25
COCCC[N@H+](C)CCNC(=O)NCCCCCCC(=O)[O-]	REAL300013641190	0	53	0.0	-80.27	413.25	5.56	-74.71
COCCC[N@@H+](C)CCNC(=O)NCCCCCCC(=O)[O-]	REAL300013641190	1	53	0.0	-80.28	413.25	5.58	-74.70
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COCCC[N@@H+](C)CCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013641191	1	51	0.0	-82.11	378.09	6.45	-75.66
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COCCC[N@@H+](C)CCNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013641192	1	55	0.0	-86.74	410.52	5.59	-81.15
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CC(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641710	1	56	0.0	-63.42	402.17	7.13	-56.29
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C[NH+]1CCN(C)CC1	REAL300013641711	0	56	0.0	-74.75	398.96	6.43	-68.32
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)CN1CC[NH+](C)CC1	REAL300013641711	1	56	0.0	-70.41	400.59	6.85	-63.56
CC(CNC(=O)NCCCC(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013641712	0	49	0.0	-68.80	370.85	3.61	-65.19
CC(CNC(=O)NCCCC(=O)[O-])CN1CC[NH+](C)CC1	REAL300013641712	1	49	0.0	-71.62	374.35	4.03	-67.59
CC(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641713	0	56	0.0	-74.79	400.71	6.54	-68.25
CC(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641713	1	56	0.0	-78.81	404.23	6.96	-71.85
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C[NH+]1CCN(C)CC1	REAL300013641714	0	57	0.0	-65.37	411.02	3.81	-61.56
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)CN1CC[NH+](C)CC1	REAL300013641714	1	57	0.0	-67.57	413.75	4.17	-63.40
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013641715	0	55	0.0	-69.97	403.55	4.48	-65.49
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300013641715	1	55	0.0	-72.43	406.96	4.90	-67.53
CCC(CC)(CNC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013641716	0	58	0.0	-65.21	416.44	5.29	-59.92
CCC(CC)(CNC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013641716	1	58	0.0	-66.58	416.61	6.03	-60.55
CC(CNC(=O)NCC(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013641717	0	49	0.0	-71.37	367.90	3.57	-67.80
CC(CNC(=O)NCC(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300013641717	1	49	0.0	-75.41	371.40	3.99	-71.42
CC(C)C(CNC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013641718	0	55	0.0	-65.75	406.64	4.75	-61.00
CC(C)C(CNC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013641718	1	55	0.0	-69.05	410.14	5.18	-63.87
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C[NH+]1CCN(C)CC1	REAL300013641719	0	62	0.0	-77.96	446.99	6.67	-71.29
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CN1CC[NH+](C)CC1	REAL300013641719	1	62	0.0	-78.66	449.72	7.04	-71.62
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300013641720	0	59	0.0	-62.11	435.81	7.13	-54.98
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300013641720	1	59	0.0	-69.48	438.64	7.53	-61.95
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641721	0	53	0.0	-68.54	392.35	4.90	-63.64
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641721	1	53	0.0	-69.59	395.67	5.37	-64.22
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C[NH+]1CCN(C)CC1	REAL300013641722	0	59	0.0	-76.07	425.56	7.57	-68.50
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)CN1CC[NH+](C)CC1	REAL300013641722	1	59	0.0	-74.37	428.20	7.97	-66.40
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641723	0	55	0.0	-73.51	402.15	4.40	-69.11
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641723	1	55	0.0	-77.67	405.77	4.73	-72.94
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)C[NH+]1CCN(C)CC1	REAL300013641724	0	56	0.0	-65.26	409.40	5.69	-59.57
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)CN1CC[NH+](C)CC1	REAL300013641724	1	56	0.0	-67.93	412.12	6.07	-61.86
CC(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)C[NH+]1CCN(C)CC1	REAL300013641725	0	56	0.0	-68.96	397.91	6.82	-62.14
CC(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)CN1CC[NH+](C)CC1	REAL300013641725	1	56	0.0	-68.98	400.61	7.30	-61.68
CC(CNC(=O)NCC1(C(=O)[O-])CCC1)C[NH+]1CCN(C)CC1	REAL300013641726	0	53	0.0	-63.66	392.32	4.85	-58.81
CC(CNC(=O)NCC1(C(=O)[O-])CCC1)CN1CC[NH+](C)CC1	REAL300013641726	1	53	0.0	-66.33	394.14	5.37	-60.96
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)C[NH+]1CCN(C)CC1	REAL300013641727	0	56	0.0	-74.93	416.44	5.62	-69.31
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)CN1CC[NH+](C)CC1	REAL300013641727	1	56	0.0	-71.57	419.85	6.16	-65.41
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C[NH+]1CCN(C)CC1	REAL300013641728	0	56	0.0	-74.75	398.96	6.43	-68.32
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)CN1CC[NH+](C)CC1	REAL300013641728	1	56	0.0	-70.41	400.59	6.85	-63.56
CC(C)C[C@H](CNC(=O)NCC(C)C[NH+]1CCN(C)CC1)CC(=O)[O-]	REAL300013641729	0	61	0.0	-71.76	437.11	6.03	-65.73
CC(C)C[C@H](CNC(=O)NCC(C)CN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013641729	1	61	0.0	-70.01	445.58	6.61	-63.40
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013641730	0	53	0.0	-70.29	402.32	5.84	-64.45
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300013641730	1	53	0.0	-76.54	402.72	6.03	-70.51
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)C[NH+]2CCN(C)CC2)C1	REAL300013641731	0	57	0.0	-77.54	422.66	4.81	-72.73
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)CN2CC[NH+](C)CC2)C1	REAL300013641731	1	57	0.0	-80.10	425.38	5.18	-74.92
CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641732	0	50	0.0	-71.46	376.02	4.21	-67.25
CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641732	1	50	0.0	-71.90	379.14	4.58	-67.32
CC(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C[NH+]1CCN(C)CC1	REAL300013641733	0	58	0.0	-73.52	424.44	3.29	-70.23
CC(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641734	0	53	0.0	-60.64	384.88	6.10	-54.54
CC(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641734	1	53	0.0	-62.69	387.61	6.48	-56.21
CC(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641735	0	53	0.0	-78.38	385.48	6.15	-72.23
CC(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641735	1	53	0.0	-79.27	388.82	6.53	-72.74
CC(CNC(=O)NC1CC(C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641736	0	50	0.0	-71.46	376.02	4.21	-67.25
CC(CNC(=O)NC1CC(C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641736	1	50	0.0	-71.92	379.14	4.58	-67.34
CC(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641737	0	50	0.0	-73.09	376.37	4.26	-68.83
CC(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641737	1	50	0.0	-73.37	379.56	4.72	-68.65
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C[NH+]1CCN(C)CC1	REAL300013641738	0	53	0.0	-76.46	408.70	5.73	-70.73
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)CN1CC[NH+](C)CC1	REAL300013641738	1	53	0.0	-76.67	411.44	6.10	-70.57
CCC(CNC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013641739	0	52	0.0	-63.00	383.87	4.50	-58.50
CCC(CNC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013641739	1	52	0.0	-68.34	387.91	4.96	-63.38
CC(CNC(=O)N1CCCCC1CCC(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013641740	0	59	0.0	-80.14	418.80	7.49	-72.65
CC(CNC(=O)N1CCCCC1CCC(=O)[O-])CN1CC[NH+](C)CC1	REAL300013641740	1	59	0.0	-78.79	421.15	8.01	-70.78
CC(CNC(=O)NCCCCCCCC(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013641741	0	61	0.0	-74.84	456.84	6.73	-68.11
CC(CNC(=O)NCCCCCCCC(=O)[O-])CN1CC[NH+](C)CC1	REAL300013641741	1	61	0.0	-76.98	460.34	7.16	-69.82
CC(CNC(=O)NCCCCCCC(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013641742	0	58	0.0	-75.31	435.34	5.95	-69.36
CC(CNC(=O)NCCCCCCC(=O)[O-])CN1CC[NH+](C)CC1	REAL300013641742	1	58	0.0	-77.97	438.84	6.38	-71.59
CC(CNC(=O)N(C)CCCC(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013641743	0	52	0.0	-71.52	388.48	5.99	-65.53
CC(CNC(=O)N(C)CCCC(=O)[O-])CN1CC[NH+](C)CC1	REAL300013641743	1	52	0.0	-76.90	391.98	6.43	-70.47
CC(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641744	0	56	0.0	-79.41	400.26	6.89	-72.52
CC(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641744	1	56	0.0	-76.25	403.29	7.37	-68.88
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)C[NH+]2CCN(C)CC2)C1	REAL300013641745	0	60	0.0	-82.35	431.80	6.65	-75.70
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)CN2CC[NH+](C)CC2)C1	REAL300013641745	1	60	0.0	-80.38	435.73	6.51	-73.87
COCCN(CCC(=O)[O-])C(=O)NCC(C)C[NH+]1CCN(C)CC1	REAL300013641746	0	56	0.0	-60.08	420.17	5.35	-54.73
COCCN(CCC(=O)[O-])C(=O)NCC(C)CN1CC[NH+](C)CC1	REAL300013641746	1	56	0.0	-64.04	423.66	5.78	-58.26
CC(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641747	0	59	0.0	-75.27	425.69	7.56	-67.71
CC(CNC(=O)N1CCCC(CCC(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641747	1	59	0.0	-79.30	429.21	7.96	-71.34
CC(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641748	0	57	0.0	-78.44	418.78	8.63	-69.81
CC(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641748	1	57	0.0	-74.98	421.11	9.38	-65.60
CC(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C[NH+]1CCN(C)CC1	REAL300013641749	0	54	0.0	-72.23	397.66	4.83	-67.40
CC(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)CN1CC[NH+](C)CC1	REAL300013641749	1	54	0.0	-69.49	400.62	5.29	-64.20
CC(CNC(=O)N1CC(C(=O)[O-])CCC1C)C[NH+]1CCN(C)CC1	REAL300013641750	0	56	0.0	-61.31	400.94	6.68	-54.63
CC(CNC(=O)N1CC(C(=O)[O-])CCC1C)CN1CC[NH+](C)CC1	REAL300013641750	1	56	0.0	-75.10	403.84	7.18	-67.92
CC(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641751	0	60	0.0	-67.38	448.24	8.72	-58.66
CC(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641751	1	60	0.0	-67.47	450.90	9.10	-58.37
CC(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641752	0	54	0.0	-75.83	395.02	3.69	-72.14
CC(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641752	1	54	0.0	-72.80	397.58	4.13	-68.67
CC(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C[NH+]1CCN(C)CC1	REAL300013641753	0	57	0.0	-73.24	429.22	6.90	-66.34
CC(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)CN1CC[NH+](C)CC1	REAL300013641753	1	57	0.0	-75.18	434.12	7.36	-67.82
CC(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C[NH+]1CCN(C)CC1	REAL300013641754	0	60	0.0	-85.51	437.00	5.95	-79.56
CC(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)CN1CC[NH+](C)CC1	REAL300013641754	1	60	0.0	-93.06	437.43	6.14	-86.92
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)C[NH+]2CCN(C)CC2)CC1	REAL300013641755	0	60	0.0	-75.31	430.33	5.54	-69.77
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)CN2CC[NH+](C)CC2)CC1	REAL300013641755	1	60	0.0	-73.25	432.01	6.63	-66.62
CC(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C[NH+]1CCN(C)CC1	REAL300013641756	0	51	0.0	-77.78	386.15	4.43	-73.35
CC(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)CN1CC[NH+](C)CC1	REAL300013641756	1	51	0.0	-78.43	388.88	4.80	-73.63
CC(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C[NH+]1CCN(C)CC1	REAL300013641757	0	62	0.0	-68.30	432.05	6.42	-61.88
CC(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)CN1CC[NH+](C)CC1	REAL300013641757	1	62	0.0	-75.83	434.88	6.84	-68.99
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C[NH+]1CCN(C)CC1	REAL300013641758	0	56	0.0	-69.02	405.72	5.84	-63.18
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)CN1CC[NH+](C)CC1	REAL300013641758	1	56	0.0	-69.60	410.23	6.34	-63.26
CC(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C[NH+]1CCN(C)CC1	REAL300013641759	0	59	0.0	-76.83	431.22	6.16	-70.67
CC(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)CN1CC[NH+](C)CC1	REAL300013641759	1	59	0.0	-76.88	433.81	6.52	-70.36
CC(CNC(=O)N1CCC(CC(=O)[O-])CC1)C[NH+]1CCN(C)CC1	REAL300013641760	0	56	0.0	-75.77	403.25	6.79	-68.98
CC(CNC(=O)N1CCC(CC(=O)[O-])CC1)CN1CC[NH+](C)CC1	REAL300013641760	1	56	0.0	-68.77	405.88	7.19	-61.58
CC(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C[NH+]1CCN(C)CC1	REAL300013641761	0	57	0.0	-76.31	419.81	6.21	-70.10
CC(CNC(=O)N1CCC(OCC(=O)[O-])CC1)CN1CC[NH+](C)CC1	REAL300013641761	1	57	0.0	-76.58	422.42	6.59	-69.99
CC(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641762	0	56	0.0	-72.69	411.46	5.45	-67.24
CC(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641762	1	56	0.0	-72.61	413.54	5.80	-66.81
CC(CNC(=O)NC1CCCC(C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641763	0	56	0.0	-72.12	410.81	5.42	-66.70
CC(CNC(=O)NC1CCCC(C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641763	1	56	0.0	-70.34	410.30	6.25	-64.09
CC(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C[NH+]1CCN(C)CC1	REAL300013641764	0	57	0.0	-69.20	416.15	4.28	-64.92
CC(CNC(=O)NCC1(C(=O)[O-])CCCOC1)CN1CC[NH+](C)CC1	REAL300013641764	1	57	0.0	-67.84	413.69	4.19	-63.65
CC(CNC(=O)NCC1(C(=O)[O-])CCOC1)C[NH+]1CCN(C)CC1	REAL300013641765	0	54	0.0	-65.37	398.08	2.97	-62.40
CC(CNC(=O)NCC1(C(=O)[O-])CCOC1)CN1CC[NH+](C)CC1	REAL300013641765	1	54	0.0	-66.51	398.50	3.15	-63.36
CC(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C[NH+]1CCN(C)CC1	REAL300013641766	0	51	0.0	-70.84	387.79	4.89	-65.95
CC(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)CN1CC[NH+](C)CC1	REAL300013641766	1	51	0.0	-72.50	390.29	5.31	-67.19
CC(CNC(=O)NCC1(C(=O)[O-])CC1)C[NH+]1CCN(C)CC1	REAL300013641767	0	50	0.0	-61.86	376.22	4.48	-57.38
CC(CNC(=O)NCC1(C(=O)[O-])CC1)CN1CC[NH+](C)CC1	REAL300013641767	1	50	0.0	-65.35	379.66	5.02	-60.33
CC(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C[NH+]1CCN(C)CC1	REAL300013641768	0	57	0.0	-67.02	414.40	6.95	-60.07
CC(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)CN1CC[NH+](C)CC1	REAL300013641768	1	57	0.0	-66.42	416.30	7.34	-59.08
CC(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C[NH+]1CCN(C)CC1	REAL300013641769	0	53	0.0	-69.31	404.88	5.97	-63.34
CC(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)CN1CC[NH+](C)CC1	REAL300013641769	1	53	0.0	-65.29	407.97	6.41	-58.88
CC(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641770	0	54	0.0	-79.47	393.30	5.36	-74.11
CC(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641770	1	54	0.0	-80.11	393.72	5.54	-74.57
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)C[NH+]2CCN(C)CC2)C1	REAL300013641771	0	57	0.0	-63.54	416.49	5.21	-58.33
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)CN2CC[NH+](C)CC2)C1	REAL300013641771	1	57	0.0	-62.76	418.64	5.31	-57.45
CC(CNC(=O)N1CCC(C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013641772	0	50	0.0	-74.58	372.20	5.21	-69.37
CC(CNC(=O)N1CCC(C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013641772	1	50	0.0	-74.97	375.47	5.59	-69.38
CC(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C[NH+]1CCN(C)CC1	REAL300013641773	0	51	0.0	-77.64	386.83	4.94	-72.70
CC(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)CN1CC[NH+](C)CC1	REAL300013641773	1	51	0.0	-74.51	389.92	5.39	-69.12
CC(CNC(=O)NC(C)CCC(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013641774	0	52	0.0	-67.61	390.61	4.62	-62.99
CC(CNC(=O)NC(C)CCC(=O)[O-])CN1CC[NH+](C)CC1	REAL300013641774	1	52	0.0	-69.71	394.10	5.05	-64.66
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013641775	0	56	0.0	-70.10	402.36	6.90	-63.20
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013641775	1	56	0.0	-71.83	405.08	7.12	-64.71
CCN1CC[NH+](CC(C)CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013641776	0	56	0.0	-77.16	426.83	6.53	-70.63
CC[NH+]1CCN(CC(C)CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013641776	1	56	0.0	-75.45	429.17	6.79	-68.66
CCN1CC[NH+](CC(C)CNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013641777	0	54	0.0	-63.92	395.87	5.36	-58.56
CC[NH+]1CCN(CC(C)CNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013641777	1	54	0.0	-77.78	398.95	5.65	-72.13
CCN1CC[NH+](CC(C)CNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013641778	0	59	0.0	-68.52	425.17	6.67	-61.85
CC[NH+]1CCN(CC(C)CNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013641778	1	59	0.0	-69.66	426.73	6.90	-62.76
CCN1CC[NH+](CC(C)CNC(=O)NCCCCC(=O)[O-])CC1	REAL300013641779	0	55	0.0	-73.49	410.49	5.20	-68.29
CC[NH+]1CCN(CC(C)CNC(=O)NCCCCC(=O)[O-])CC1	REAL300013641779	1	55	0.0	-75.37	413.59	5.49	-69.88
CCN1CC[NH+](CC(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013641780	0	56	0.0	-77.20	426.93	6.52	-70.68
CC[NH+]1CCN(CC(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013641780	1	56	0.0	-75.53	429.18	6.78	-68.75
CCN1CC[NH+](CC(C)CNC(=O)NCCC(=O)[O-])CC1	REAL300013641781	0	49	0.0	-70.18	367.50	3.61	-66.57
CC[NH+]1CCN(CC(C)CNC(=O)NCCC(=O)[O-])CC1	REAL300013641781	1	49	0.0	-72.99	370.59	3.92	-69.07
CCN1CC[NH+](CC(C)CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013641782	0	58	0.0	-72.82	431.99	5.98	-66.84
CC[NH+]1CCN(CC(C)CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013641782	1	58	0.0	-73.93	435.08	6.27	-67.66
CCN1CC[NH+](CC(C)CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013641783	0	55	0.0	-73.07	402.35	5.08	-67.99
CC[NH+]1CCN(CC(C)CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013641783	1	55	0.0	-75.78	406.03	5.37	-70.41
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013641784	0	56	0.0	-75.46	409.92	6.48	-68.98
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013641784	1	56	0.0	-72.52	409.75	6.88	-65.64
CCN1CC[NH+](CC(C)CNC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013641785	0	59	0.0	-61.41	419.81	7.73	-53.68
CC[NH+]1CCN(CC(C)CNC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013641785	1	59	0.0	-61.88	422.23	8.01	-53.87
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013641786	0	59	0.0	-74.78	417.09	7.21	-67.57
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013641786	1	59	0.0	-69.15	418.32	7.53	-61.62
CCN1CC[NH+](CC(C)CNC(=O)NCCCC(=O)[O-])CC1	REAL300013641787	0	52	0.0	-68.80	388.99	4.42	-64.38
CC[NH+]1CCN(CC(C)CNC(=O)NCCCC(=O)[O-])CC1	REAL300013641787	1	52	0.0	-70.29	392.09	4.71	-65.58
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013641788	0	59	0.0	-78.26	418.83	7.29	-70.97
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013641788	1	59	0.0	-77.57	421.97	7.64	-69.93
CCN1CC[NH+](CC(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013641789	0	60	0.0	-65.47	429.15	4.60	-60.87
CC[NH+]1CCN(CC(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013641789	1	60	0.0	-68.07	432.17	4.87	-63.20
CCN1CC[NH+](CC(C)CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013641790	0	58	0.0	-69.94	421.70	5.29	-64.65
CC[NH+]1CCN(CC(C)CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013641790	1	58	0.0	-71.14	424.79	5.59	-65.55
CCN1CC[NH+](CC(C)CNC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013641791	0	61	0.0	-62.96	434.58	6.10	-56.86
CC[NH+]1CCN(CC(C)CNC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013641791	1	61	0.0	-66.98	437.68	6.39	-60.59
CCN1CC[NH+](CC(C)CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013641792	0	52	0.0	-71.35	386.04	4.38	-66.97
CC[NH+]1CCN(CC(C)CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013641792	1	52	0.0	-74.13	389.13	4.67	-69.46
CCN1CC[NH+](CC(C)CNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013641793	0	58	0.0	-63.12	417.10	5.65	-57.47
CC[NH+]1CCN(CC(C)CNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013641793	1	58	0.0	-65.23	422.62	5.97	-59.26
CCN1CC[NH+](CC(C)CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013641794	0	65	0.0	-78.31	461.90	6.99	-71.32
CC[NH+]1CCN(CC(C)CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013641794	1	65	0.0	-77.65	466.96	7.69	-69.96
CCN1CC[NH+](CC(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013641795	0	62	0.0	-62.05	453.95	7.94	-54.11
CC[NH+]1CCN(CC(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013641795	1	62	0.0	-63.26	456.72	8.27	-54.99
CCN1CC[NH+](CC(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013641796	0	56	0.0	-67.04	409.23	5.52	-61.52
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013641796	1	56	0.0	-66.75	413.20	6.02	-60.73
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013641797	0	62	0.0	-76.14	443.69	8.35	-67.79
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013641797	1	62	0.0	-73.18	445.93	8.62	-64.56
CCN1CC[NH+](CC(C)CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013641798	0	58	0.0	-70.61	419.04	5.02	-65.59
CC[NH+]1CCN(CC(C)CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013641798	1	58	0.0	-76.32	423.51	5.41	-70.91
CCN1CC[NH+](CC(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013641799	0	59	0.0	-65.40	427.53	6.49	-58.91
CC[NH+]1CCN(CC(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013641799	1	59	0.0	-68.40	430.54	6.76	-61.64
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013641800	0	59	0.0	-71.91	415.99	7.57	-64.34
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013641800	1	59	0.0	-67.79	418.35	7.98	-59.81
CCN1CC[NH+](CC(C)CNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013641801	0	56	0.0	-64.41	410.59	5.64	-58.77
CC[NH+]1CCN(CC(C)CNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013641801	1	56	0.0	-65.11	411.89	6.04	-59.07
CCN1CC[NH+](CC(C)CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013641802	0	59	0.0	-70.60	434.49	6.38	-64.22
CC[NH+]1CCN(CC(C)CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013641802	1	59	0.0	-70.15	437.59	6.84	-63.31
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013641803	0	59	0.0	-74.78	417.09	7.21	-67.57
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013641803	1	59	0.0	-69.15	418.32	7.53	-61.62
CCN1CC[NH+](CC(C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013641804	0	64	0.0	-66.45	460.88	7.00	-59.45
CC[NH+]1CCN(CC(C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013641804	1	64	0.0	-68.72	463.32	7.30	-61.42
CCN1CC[NH+](CC(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013641805	0	56	0.0	-71.69	420.59	6.64	-65.05
CC[NH+]1CCN(CC(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013641805	1	56	0.0	-72.56	422.78	6.92	-65.64
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(COC)(C(=O)[O-])C2)CC1	REAL300013641806	0	60	0.0	-77.67	440.79	5.60	-72.07
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(COC)(C(=O)[O-])C2)CC1	REAL300013641806	1	60	0.0	-74.73	441.00	6.72	-68.01
CCN1CC[NH+](CC(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013641807	0	53	0.0	-71.36	394.51	5.00	-66.36
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013641807	1	53	0.0	-69.54	397.20	5.33	-64.21
CCN1CC[NH+](CC(C)CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013641809	0	56	0.0	-78.32	401.98	6.76	-71.56
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013641809	1	56	0.0	-77.69	406.56	7.31	-70.38
CCN1CC[NH+](CC(C)CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013641810	0	56	0.0	-75.36	402.27	6.77	-68.59
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013641810	1	56	0.0	-78.06	406.56	7.21	-70.85
CCN1CC[NH+](CC(C)CNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013641811	0	53	0.0	-71.56	394.15	4.99	-66.57
CC[NH+]1CCN(CC(C)CNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013641811	1	53	0.0	-71.16	397.56	5.28	-65.88
CCN1CC[NH+](CC(C)CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013641812	0	53	0.0	-73.13	394.36	5.04	-68.09
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013641812	1	53	0.0	-72.17	397.34	5.40	-66.77
CCN1CC[NH+](CC(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013641813	0	56	0.0	-77.20	426.93	6.52	-70.68
CC[NH+]1CCN(CC(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013641813	1	56	0.0	-75.53	429.18	6.78	-68.75
CCC(CNC(=O)NCC(C)C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300013641814	0	55	0.0	-63.00	402.19	5.25	-57.75
CCC(CNC(=O)NCC(C)CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300013641814	1	55	0.0	-66.95	405.65	5.64	-61.31
CCN1CC[NH+](CC(C)CNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013641815	0	62	0.0	-80.26	436.94	8.29	-71.97
CC[NH+]1CCN(CC(C)CNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013641815	1	62	0.0	-75.84	438.97	8.61	-67.23
CCN1CC[NH+](CC(C)CNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013641816	0	64	0.0	-74.78	474.99	7.54	-67.24
CC[NH+]1CCN(CC(C)CNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013641816	1	64	0.0	-75.89	478.08	7.84	-68.05
CCN1CC[NH+](CC(C)CNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013641817	0	61	0.0	-75.25	453.49	6.76	-68.49
CC[NH+]1CCN(CC(C)CNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013641817	1	61	0.0	-76.83	456.58	7.06	-69.77
CCN1CC[NH+](CC(C)CNC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013641818	0	55	0.0	-71.52	406.62	6.79	-64.73
CC[NH+]1CCN(CC(C)CNC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013641818	1	55	0.0	-75.70	409.71	7.11	-68.59
CCN1CC[NH+](CC(C)CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013641819	0	59	0.0	-79.52	418.40	7.67	-71.85
CC[NH+]1CCN(CC(C)CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013641819	1	59	0.0	-74.82	421.03	8.05	-66.77
CCN1CC[NH+](CC(C)CNC(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300013641820	0	63	0.0	-83.68	450.57	6.82	-76.86
CC[NH+]1CCN(CC(C)CNC(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300013641820	1	63	0.0	-79.02	453.47	7.18	-71.84
CCN1CC[NH+](CC(C)CNC(=O)N(CCOC)CCC(=O)[O-])CC1	REAL300013641821	0	59	0.0	-60.11	438.31	6.15	-53.96
CC[NH+]1CCN(CC(C)CNC(=O)N(CCOC)CCC(=O)[O-])CC1	REAL300013641821	1	59	0.0	-62.53	441.40	6.46	-56.07
CCN1CC[NH+](CC(C)CNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013641822	0	62	0.0	-78.61	443.89	8.35	-70.26
CC[NH+]1CCN(CC(C)CNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013641822	1	62	0.0	-78.04	446.95	8.64	-69.40
CCN1CC[NH+](CC(C)CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013641823	0	60	0.0	-78.62	436.91	9.41	-69.21
CC[NH+]1CCN(CC(C)CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013641823	1	60	0.0	-73.52	438.85	10.06	-63.46
CCN1CC[NH+](CC(C)CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013641824	0	57	0.0	-72.32	415.79	5.62	-66.70
CC[NH+]1CCN(CC(C)CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013641824	1	57	0.0	-68.26	418.36	5.97	-62.29
CCN1CC[NH+](CC(C)CNC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013641825	0	59	0.0	-60.22	418.58	7.49	-52.73
CC[NH+]1CCN(CC(C)CNC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013641825	1	59	0.0	-73.67	421.58	7.86	-65.81
CCN1CC[NH+](CC(C)CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013641826	0	57	0.0	-76.13	413.18	4.48	-71.65
CC[NH+]1CCN(CC(C)CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013641826	1	57	0.0	-71.48	415.32	4.81	-66.67
CCN1CC[NH+](CC(C)CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013641827	0	60	0.0	-73.23	447.21	7.68	-65.55
CC[NH+]1CCN(CC(C)CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013641827	1	60	0.0	-73.99	451.85	8.04	-65.95
CCN1CC[NH+](CC(C)CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013641828	0	63	0.0	-84.04	455.15	6.75	-77.29
CC[NH+]1CCN(CC(C)CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013641828	1	63	0.0	-86.98	457.00	6.97	-80.01
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300013641829	0	63	0.0	-75.33	448.46	6.33	-69.00
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300013641829	1	63	0.0	-72.04	449.75	7.31	-64.73
CCN1CC[NH+](CC(C)CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013641830	0	54	0.0	-77.89	404.28	5.22	-72.67
CC[NH+]1CCN(CC(C)CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013641830	1	54	0.0	-77.24	406.62	5.48	-71.76
CCN1CC[NH+](CC(C)CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013641831	0	65	0.0	-68.41	450.18	7.21	-61.20
CC[NH+]1CCN(CC(C)CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013641831	1	65	0.0	-65.00	452.87	7.56	-57.44
CCN1CC[NH+](CC(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013641832	0	59	0.0	-68.99	422.69	6.50	-62.49
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013641832	1	59	0.0	-68.23	427.46	6.98	-61.25
CCN1CC[NH+](CC(C)CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013641833	0	62	0.0	-75.16	449.00	6.89	-68.27
CC[NH+]1CCN(CC(C)CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013641833	1	62	0.0	-75.72	448.74	6.97	-68.75
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013641834	0	59	0.0	-75.87	421.38	7.57	-68.30
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013641834	1	59	0.0	-67.58	423.61	7.84	-59.74
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013641835	0	60	0.0	-76.47	437.94	7.00	-69.47
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013641835	1	60	0.0	-75.38	440.15	7.22	-68.16
CCN1CC[NH+](CC(C)CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013641836	0	59	0.0	-72.78	428.43	6.11	-66.67
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013641836	1	59	0.0	-71.48	430.78	6.44	-65.04
CCN1CC[NH+](CC(C)CNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013641837	0	59	0.0	-72.52	429.07	6.22	-66.30
CC[NH+]1CCN(CC(C)CNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013641837	1	59	0.0	-69.05	428.05	6.93	-62.12
CCN1CC[NH+](CC(C)CNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013641838	0	60	0.0	-68.46	434.22	5.04	-63.42
CC[NH+]1CCN(CC(C)CNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013641838	1	60	0.0	-71.17	436.62	5.33	-65.84
CCN1CC[NH+](CC(C)CNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013641839	0	57	0.0	-64.63	416.35	3.77	-60.86
CC[NH+]1CCN(CC(C)CNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013641839	1	57	0.0	-67.13	418.56	4.02	-63.11
CCN1CC[NH+](CC(C)CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013641840	0	54	0.0	-71.95	406.01	5.71	-66.24
CC[NH+]1CCN(CC(C)CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013641840	1	54	0.0	-71.39	407.53	5.95	-65.44
CCN1CC[NH+](CC(C)CNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013641841	0	53	0.0	-61.95	394.35	5.26	-56.69
CC[NH+]1CCN(CC(C)CNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013641841	1	53	0.0	-63.97	397.40	5.70	-58.27
CCN1CC[NH+](CC(C)CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013641842	0	60	0.0	-67.02	432.61	7.76	-59.26
CC[NH+]1CCN(CC(C)CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013641842	1	60	0.0	-65.16	434.04	8.02	-57.14
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013641843	0	56	0.0	-69.46	423.00	6.76	-62.70
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013641843	1	56	0.0	-64.03	425.71	7.09	-56.94
CCN1CC[NH+](CC(C)CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013641844	0	57	0.0	-79.60	411.43	6.15	-73.45
CC[NH+]1CCN(CC(C)CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013641844	1	57	0.0	-74.90	413.55	6.50	-68.40
CCN1CC[NH+](CC(C)CNC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013641845	0	50	0.0	-67.25	375.23	5.30	-61.95
CC[NH+]1CCN(CC(C)CNC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013641845	1	50	0.0	-67.30	377.44	5.56	-61.74
CCN1CC[NH+](CC(C)CNC(=O)N2CC(OC)CC(C(=O)[O-])C2)CC1	REAL300013641846	0	60	0.0	-63.05	434.72	5.99	-57.06
CC[NH+]1CCN(CC(C)CNC(=O)N2CC(OC)CC(C(=O)[O-])C2)CC1	REAL300013641846	1	60	0.0	-65.13	436.96	6.26	-58.87
CCN1CC[NH+](CC(C)CNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013641847	0	53	0.0	-74.76	390.19	6.00	-68.76
CC[NH+]1CCN(CC(C)CNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013641847	1	53	0.0	-73.68	393.21	6.28	-67.40
CCN1CC[NH+](CC(C)CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013641848	0	54	0.0	-77.56	403.94	5.61	-71.95
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013641848	1	54	0.0	-73.23	407.66	6.06	-67.17
CCN1CC[NH+](CC(C)CNC(=O)NC(C)CCC(=O)[O-])CC1	REAL300013641849	0	55	0.0	-67.60	408.75	5.42	-62.18
CC[NH+]1CCN(CC(C)CNC(=O)NC(C)CCC(=O)[O-])CC1	REAL300013641849	1	55	0.0	-68.30	411.84	5.73	-62.57
CC1=NC(C)=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013641870	1	44	0.0	-37.10	359.39	4.73	-32.37
COCCOCC(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013641926	1	49	0.0	-36.99	380.87	3.47	-33.52
CC1=CSC(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2CC2)=N1	REAL300013641993	1	48	0.0	-36.91	383.79	6.12	-30.79
COC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013642068	1	49	0.0	-42.33	402.82	6.62	-35.71
CC1=CN=C(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2CC2)S1	REAL300013642141	1	48	0.0	-34.80	381.95	6.85	-27.95
CCC(CC)C1=NOC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013642214	1	53	0.0	-37.48	407.49	6.92	-30.56
CCOC1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1OC	REAL300013642284	1	50	0.0	-35.71	387.66	3.89	-31.82
CCOC1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1OC1=CC=CC=C1	REAL300013642353	1	57	0.0	-36.34	441.39	7.51	-28.83
CCOC(=O)N1CCCC(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013642420	1	59	0.0	-39.20	442.61	7.01	-32.19
CC(C)(C)OCC1=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=NO1	REAL300013642517	1	54	0.0	-38.05	419.50	5.54	-32.51
COCCOC1COCCC1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013642591	1	54	0.0	-38.91	414.46	2.84	-36.07
O=C([O-])C[NH+]1CCC(NC(=O)NCC(C2=CC=CC=C2)C(F)(F)F)CC1	REAL300013642667	1	48	0.0	-40.80	382.83	8.10	-32.70
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=C(F)C=C3F)CCCC2)CC1	REAL300013642739	1	55	0.0	-35.95	414.17	9.84	-26.11
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(Cl)C=C2F)CC1	REAL300013642805	1	42	0.0	-36.82	355.45	6.81	-30.01
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN3C=CN=C3C2)CC1	REAL300013642916	1	46	0.0	-43.60	353.83	5.85	-37.75
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC(Cl)=CC=C1Cl	REAL300013642985	1	45	0.0	-36.05	380.10	8.06	-27.99
CCOC(=O)N1CCC(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013643058	1	59	0.0	-42.44	442.34	7.07	-35.37
CN1C2=CC=C(Cl)C=C2N=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013643132	1	48	0.0	-44.82	396.35	7.10	-37.72
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC(Cl)=CC=C1Cl	REAL300013643222	1	45	0.0	-36.33	380.61	8.10	-28.23
CC1=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C1=CC=CC=C1	REAL300013643295	1	55	0.0	-36.34	428.81	10.31	-26.03
O=C([O-])C[NH+]1CCC(NC(=O)NCCCCCC2=CC=C(F)C=C2)CC1	REAL300013643365	1	54	0.0	-37.97	425.16	9.42	-28.55
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3=CC=C(C4=CC=CC=C4)C=C32)CC1	REAL300013643439	1	56	0.0	-37.00	430.72	10.95	-26.05
CCSC1=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=N1	REAL300013643505	1	48	0.0	-37.25	392.61	6.50	-30.75
CC(C)C1=CC=C2CCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=C1	REAL300013643579	1	55	0.0	-35.32	416.66	9.46	-25.86
O=C([O-])C[NH+]1CCC(NC(=O)NOCCC(F)(F)F)CC1	REAL300013643658	1	39	0.0	-39.55	325.85	5.54	-34.01
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(F)C=C2Br)CC1	REAL300013643719	1	42	0.0	-36.60	358.01	6.84	-29.76
CS(=O)(=O)N1CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013643785	1	47	0.0	-48.71	380.56	1.30	-47.41
CC1=CN=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013643837	1	44	0.0	-37.38	345.59	5.26	-32.12
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCC2CCO)CC1	REAL300013643882	1	49	0.0	-36.37	364.71	3.77	-32.60
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCN(CC(F)(F)F)CC2)CC1	REAL300013643944	1	53	0.0	-38.28	406.74	5.43	-32.85
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NN(C)C=N1	REAL300013643995	1	44	0.0	-40.67	350.92	5.32	-35.35
CN1C=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=C(Cl)C=C21	REAL300013644051	1	52	0.0	-44.49	425.71	9.34	-35.15
CC(C)(C)C1CCCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013644125	1	60	0.0	-35.13	415.75	8.40	-26.73
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCOC3=CC=C(F)C=C32)CC1	REAL300013644214	1	47	0.0	-38.60	364.15	5.92	-32.68
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(C(F)F)=C2)CC1	REAL300013644286	1	45	0.0	-37.26	365.34	7.13	-30.13
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=C(C(F)(F)F)C=C3)CC2)CC1	REAL300013644356	1	52	0.0	-36.44	420.82	9.41	-27.03
CCOC(C)(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013644395	1	48	0.0	-35.60	359.49	4.52	-31.08
CC(C)(C)C1=CC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013644517	1	54	0.0	-34.93	391.83	8.97	-25.96
COC(=O)N1CCC(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013644594	1	56	0.0	-42.69	420.48	6.14	-36.55
C[NH+](C)C1(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CCC1	REAL300013644636	0	45	0.0	-74.31	346.03	6.70	-67.61
C[NH+](C)C1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCC1	REAL300013644637	0	45	0.0	-74.84	348.29	6.27	-68.57
C[NH+](C)C1(CNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CCC1	REAL300013644638	0	55	0.0	-76.18	394.96	10.38	-65.80
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCC1	REAL300013644639	0	49	0.0	-61.07	346.72	4.79	-56.28
CC(NC(=O)NCC1([NH+](C)C)CCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013644640	0	54	0.0	-77.69	386.51	7.27	-70.42
C[NH+](C)C1(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCC1	REAL300013644641	0	51	0.0	-59.05	379.39	7.50	-51.55
C[NH+](C)C1(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CCC1	REAL300013644642	0	51	0.0	-71.40	363.03	8.54	-62.86
C[NH+](C)C1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCC1	REAL300013644643	0	47	0.0	-69.38	339.66	5.36	-64.02
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C[NH+](C)C1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCC1	REAL300013644645	0	45	0.0	-67.20	339.66	6.79	-60.41
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COCC1(C(=O)[O-])CCCN(C(=O)NCC2([NH+](C)C)CCC2)C1	REAL300013644652	0	52	0.0	-62.70	369.13	7.60	-55.10
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C[NH+](C)C1(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCC1	REAL300013644658	0	46	0.0	-65.67	338.19	5.36	-60.31
C[NH+](C)C1(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CCC1	REAL300013644659	0	52	0.0	-61.61	383.76	9.11	-52.50
C[NH+](C)C1(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CCC1	REAL300013644660	0	49	0.0	-71.22	370.22	7.61	-63.61
C[NH+](C)C1(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CCC1	REAL300013644661	0	52	0.0	-78.24	375.57	6.55	-71.69
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C[NH+](C)C1(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CCC1	REAL300013644663	0	54	0.0	-67.03	369.56	7.40	-59.63
C[NH+](C)C1(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CCC1	REAL300013644664	0	51	0.0	-73.63	368.47	7.12	-66.51
C[NH+](C)C1(CNC(=O)N2CCC(OCC(=O)[O-])CC2)CCC1	REAL300013644665	0	49	0.0	-73.13	357.32	7.19	-65.94
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCCOC2)CCC1	REAL300013644666	0	49	0.0	-65.10	353.55	5.24	-59.86
C[NH+](C)C1(CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)CCC1	REAL300013644667	0	57	0.0	-73.60	421.25	9.08	-64.52
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COC1=CC(F)=CC(CC(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013645122	1	52	0.0	-43.17	408.83	7.42	-35.75
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCC(C3=CC=CC(Cl)=C3)C2)CC1	REAL300013645195	1	55	0.0	-37.19	425.04	10.35	-26.84
CC1CCCC(C)C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013645241	1	51	0.0	-34.44	358.75	6.61	-27.83
O=C([O-])C[NH+]1CCC(NC(=O)NCCOCC2CCCC2)CC1	REAL300013645291	1	52	0.0	-35.73	393.66	6.02	-29.71
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CC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCC(=O)N1	REAL300013645566	1	46	0.0	-42.52	354.10	2.68	-39.84
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CC1=CN=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013645685	1	46	0.0	-45.69	364.87	3.97	-41.72
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CC1CC(C(=O)[O-])CN(C(=O)NCCCC[N@H+](C)C2CC2)C1	REAL300013645725	0	51	0.0	-61.13	382.96	8.75	-52.38
CC1CC(C(=O)[O-])CN(C(=O)NCCCC[N@@H+](C)C2CC2)C1	REAL300013645725	1	51	0.0	-61.15	382.96	8.74	-52.41
C[N@H+](CCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1CC1	REAL300013645726	0	51	0.0	-73.89	375.42	8.48	-65.41
C[N@@H+](CCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1CC1	REAL300013645726	1	51	0.0	-74.07	375.42	8.49	-65.58
CC1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC1C(=O)[O-]	REAL300013645727	0	51	0.0	-76.66	378.02	8.63	-68.03
CC1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1C(=O)[O-]	REAL300013645727	1	51	0.0	-76.63	378.02	8.62	-68.01
C[N@H+](CCCCNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CC1	REAL300013645728	0	52	0.0	-65.65	388.20	5.87	-59.78
C[N@@H+](CCCCNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CC1	REAL300013645728	1	52	0.0	-65.86	388.34	5.88	-59.98
CCC(CC)(CNC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300013645729	0	53	0.0	-66.25	393.71	7.38	-58.87
CCC(CC)(CNC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300013645729	1	53	0.0	-64.43	391.05	7.72	-56.71
CC(NC(=O)NCCCC[N@H+](C)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013645730	0	57	0.0	-76.83	421.08	8.28	-68.55
CC(NC(=O)NCCCC[N@@H+](C)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013645730	1	57	0.0	-76.53	420.46	8.27	-68.26
C[N@H+](CCCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300013645731	0	54	0.0	-65.79	413.08	9.23	-56.56
C[N@@H+](CCCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300013645731	1	54	0.0	-67.23	416.99	9.02	-58.21
C[N@H+](CCCCNC(=O)N1CCC(CCC(=O)[O-])CC1)C1CC1	REAL300013645732	0	54	0.0	-73.29	402.63	9.64	-63.65
C[N@@H+](CCCCNC(=O)N1CCC(CCC(=O)[O-])CC1)C1CC1	REAL300013645732	1	54	0.0	-73.48	402.77	9.66	-63.82
C[N@H+](CCCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1CC1	REAL300013645733	0	50	0.0	-74.51	380.30	6.37	-68.14
C[N@@H+](CCCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1CC1	REAL300013645733	1	50	0.0	-71.67	379.66	6.48	-65.19
C[N@H+](CCCCNC(=O)NCC1(C(=O)[O-])CCCC1)C1CC1	REAL300013645734	0	51	0.0	-65.76	386.57	7.75	-58.01
C[N@@H+](CCCCNC(=O)NCC1(C(=O)[O-])CCCC1)C1CC1	REAL300013645734	1	51	0.0	-65.97	386.57	7.75	-58.22
CC1CN(C(=O)NCCCC[N@H+](C)C2CC2)CCC1C(=O)[O-]	REAL300013645735	0	51	0.0	-70.54	375.19	8.91	-61.63
CC1CN(C(=O)NCCCC[N@@H+](C)C2CC2)CCC1C(=O)[O-]	REAL300013645735	1	51	0.0	-70.62	375.19	8.91	-61.71
C[N@H+](CCCCNC(=O)NCC(CC(=O)[O-])C1CC1)C1CC1	REAL300013645736	0	51	0.0	-74.06	393.62	7.69	-66.37
C[N@@H+](CCCCNC(=O)NCC(CC(=O)[O-])C1CC1)C1CC1	REAL300013645736	1	51	0.0	-73.94	393.62	7.68	-66.26
C[N@H+](CCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1CC1	REAL300013645737	0	51	0.0	-73.89	375.42	8.48	-65.41
C[N@@H+](CCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1CC1	REAL300013645737	1	51	0.0	-74.07	375.42	8.49	-65.58
CC(C)C[C@H](CNC(=O)NCCCC[N@H+](C)C1CC1)CC(=O)[O-]	REAL300013645738	0	56	0.0	-71.54	414.63	8.09	-63.45
CC(C)C[C@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)CC(=O)[O-]	REAL300013645738	1	56	0.0	-71.77	414.63	8.08	-63.69
C[N@H+](CCCCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC1	REAL300013645739	0	48	0.0	-71.39	379.50	7.92	-63.47
C[N@@H+](CCCCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC1	REAL300013645739	1	48	0.0	-71.54	379.48	7.91	-63.63
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[N@H+](C)C2CC2)C1	REAL300013645740	0	52	0.0	-76.42	399.83	6.88	-69.54
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[N@@H+](C)C2CC2)C1	REAL300013645740	1	52	0.0	-76.59	399.83	6.88	-69.71
C[N@H+](CCCCNC(=O)NC1CCN(CC(=O)[O-])CC1)C1CC1	REAL300013645741	0	53	0.0	-72.05	401.62	5.35	-66.70
C[N@@H+](CCCCNC(=O)NC1CCN(CC(=O)[O-])CC1)C1CC1	REAL300013645741	1	53	0.0	-72.04	401.62	5.35	-66.69
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCCCC[N@H+](C)C3CC3)C2)C=N1	REAL300013645742	0	58	0.0	-79.69	445.28	9.48	-70.21
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCCCC[N@@H+](C)C3CC3)C2)C=N1	REAL300013645742	1	58	0.0	-79.75	445.27	9.47	-70.28
C[N@H+](CCCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CC1	REAL300013645743	0	48	0.0	-75.56	385.88	7.81	-67.75
C[N@@H+](CCCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CC1	REAL300013645743	1	48	0.0	-75.78	385.88	7.79	-67.99
COC(=O)C1CC2(C1)CN(C(=O)NCCCC[N@H+](C)C1CC1)CC2C(=O)[O-]	REAL300013645744	0	58	0.0	-63.07	441.55	9.49	-53.58
COC(=O)C1CC2(C1)CN(C(=O)NCCCC[N@@H+](C)C1CC1)CC2C(=O)[O-]	REAL300013645744	1	58	0.0	-69.62	446.42	9.68	-59.94
C[N@H+](CCCCNC(=O)N1CCCCC1CCC(=O)[O-])C1CC1	REAL300013645745	0	54	0.0	-79.52	396.50	9.58	-69.94
C[N@@H+](CCCCNC(=O)N1CCCCC1CCC(=O)[O-])C1CC1	REAL300013645745	1	54	0.0	-79.97	396.12	9.59	-70.38
C[N@H+](CCCCNC(=O)NCCCCCCCC(=O)[O-])C1CC1	REAL300013645746	0	56	0.0	-75.46	434.11	8.83	-66.63
C[N@@H+](CCCCNC(=O)NCCCCCCCC(=O)[O-])C1CC1	REAL300013645746	1	56	0.0	-75.38	434.11	8.82	-66.56
C[N@H+](CCCCNC(=O)NCCCCCCC(=O)[O-])C1CC1	REAL300013645747	0	53	0.0	-76.17	412.61	8.05	-68.12
C[N@@H+](CCCCNC(=O)NCCCCCCC(=O)[O-])C1CC1	REAL300013645747	1	53	0.0	-76.14	412.61	8.04	-68.10
C[N@H+](CCCCNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1CC1	REAL300013645748	0	51	0.0	-77.71	377.44	8.95	-68.76
C[N@@H+](CCCCNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1CC1	REAL300013645748	1	51	0.0	-77.93	377.58	8.96	-68.97
COCC1(C(=O)[O-])CCCN(C(=O)NCCCC[N@H+](C)C2CC2)C1	REAL300013645749	0	55	0.0	-81.99	409.62	8.08	-73.91
COCC1(C(=O)[O-])CCCN(C(=O)NCCCC[N@@H+](C)C2CC2)C1	REAL300013645749	1	55	0.0	-82.04	409.62	8.08	-73.96
COCCN(CCC(=O)[O-])C(=O)NCCCC[N@H+](C)C1CC1	REAL300013645750	0	51	0.0	-60.57	397.43	7.45	-53.12
COCCN(CCC(=O)[O-])C(=O)NCCCC[N@@H+](C)C1CC1	REAL300013645750	1	51	0.0	-60.45	397.43	7.46	-52.99
C[N@H+](CCCCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C1CC1	REAL300013645751	0	57	0.0	-79.33	435.86	9.68	-69.65
C[N@@H+](CCCCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C1CC1	REAL300013645751	1	57	0.0	-79.56	435.24	9.66	-69.90
C[N@H+](CCCCNC(=O)N1CCCC(CCC(=O)[O-])C1)C1CC1	REAL300013645752	0	54	0.0	-76.98	402.97	9.64	-67.34
C[N@@H+](CCCCNC(=O)N1CCCC(CCC(=O)[O-])C1)C1CC1	REAL300013645752	1	54	0.0	-77.02	402.97	9.64	-67.38
C[N@H+](CCCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1CC1	REAL300013645753	0	52	0.0	-78.20	395.96	10.71	-67.49
C[N@@H+](CCCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1CC1	REAL300013645753	1	52	0.0	-78.15	396.10	10.72	-67.43
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CC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	REAL300013646797	1	57	0.0	-77.78	394.26	5.57	-72.21
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1	REAL300013646798	1	57	0.0	-69.27	385.89	5.22	-64.05
O=C([O-])CCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300013646799	1	50	0.0	-70.70	356.06	3.34	-67.36
CC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1C(=O)[O-]	REAL300013646800	1	57	0.0	-53.43	384.71	5.25	-48.18
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CCC(CC)(CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300013646803	1	59	0.0	-64.70	401.65	5.01	-59.69
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CC1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCC1C(=O)[O-]	REAL300013646811	1	57	0.0	-71.08	386.16	5.73	-65.35
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O=C([O-])CC(CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CC1	REAL300013646813	1	57	0.0	-70.10	404.75	4.50	-65.60
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1	REAL300013646814	1	57	0.0	-69.27	385.89	5.22	-64.05
CC(C)C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)CC(=O)[O-]	REAL300013646815	1	62	0.0	-65.69	425.66	4.92	-60.77
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COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	REAL300013646817	1	58	0.0	-70.70	410.51	3.67	-67.03
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CC1CCC(C(=O)[O-])CN1C(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300013646835	1	57	0.0	-78.50	389.47	5.60	-72.90
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COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1	REAL300013646837	1	61	0.0	-72.09	416.86	5.17	-66.92
O=C([O-])C12CC(NC(=O)NCC3([NH+]4CCOCC4)CCOCC3)(C1)C2	REAL300013646838	1	52	0.0	-77.81	374.01	3.29	-74.52
O=C([O-])CC1(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCCC1	REAL300013646839	1	63	0.0	-67.94	417.17	6.14	-61.80
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1	REAL300013646840	1	57	0.0	-62.77	393.78	4.73	-58.04
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1	REAL300013646841	1	60	0.0	-76.06	419.27	5.05	-71.01
O=C([O-])CC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1	REAL300013646842	1	57	0.0	-67.82	388.33	6.51	-61.31
O=C([O-])COC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1	REAL300013646843	1	58	0.0	-78.98	404.93	5.93	-73.05
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	REAL300013646844	1	57	0.0	-73.39	396.46	5.12	-68.27
O=C([O-])C1CCCC(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	REAL300013646845	1	57	0.0	-71.32	398.66	4.28	-67.04
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCOC1	REAL300013646846	1	58	0.0	-62.16	398.40	3.69	-58.47
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCOC1	REAL300013646847	1	55	0.0	-56.10	386.28	1.86	-54.24
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2	REAL300013646848	1	52	0.0	-72.11	372.69	4.62	-67.49
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1	REAL300013646849	1	51	0.0	-59.61	361.71	4.26	-55.35
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC12CCC2	REAL300013646850	1	58	0.0	-60.27	401.34	5.79	-54.48
CC1(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCO1	REAL300013646851	1	55	0.0	-78.61	381.16	4.24	-74.37
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	REAL300013646852	1	48	0.0	-62.96	345.03	3.27	-59.69
COC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	REAL300013646853	1	58	0.0	-77.95	406.41	4.04	-73.91
O=C([O-])C1CCN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	REAL300013646854	1	51	0.0	-71.80	360.21	4.11	-67.69
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1([NH+]3CCOCC3)CCOCC1)C2	REAL300013646855	1	52	0.0	-76.16	375.03	3.83	-72.33
CC(CCC(=O)[O-])NC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300013646856	1	53	0.0	-67.80	375.82	4.34	-63.46
CC1(C)[C@@H](CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)[C@@H]1C1=CC=CC=C1	REAL300013646889	1	55	0.0	-40.37	415.96	9.21	-31.16
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(CC3=CC=CC(Cl)=C3)CC2)CC1	REAL300013646964	1	52	0.0	-37.69	419.79	9.56	-28.13
CC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=C1C	REAL300013647024	1	47	0.0	-37.28	366.79	5.59	-31.69
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2CC3CCC2O3)CC1	REAL300013647080	1	50	0.0	-37.17	372.20	5.20	-31.97
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2C2=CC=CC=C2F)CC1	REAL300013647161	1	46	0.0	-42.26	365.87	7.69	-34.57
CC(C)(C)C1=NN=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N1	REAL300013647246	1	50	0.0	-40.66	390.00	5.22	-35.44
COC1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013647297	1	49	0.0	-39.74	363.12	5.35	-34.39
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1COCC12OCCO2	REAL300013647376	1	58	0.0	-38.67	412.19	4.40	-34.27
COC1=CC=CC2=C1CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C2	REAL300013647443	1	50	0.0	-36.60	385.90	6.88	-29.72
COC1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C12CCC2	REAL300013647537	1	50	0.0	-37.52	378.33	5.65	-31.87
C[N@@H+]1CCCC(CCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013647573	0	48	0.0	-78.42	369.22	6.88	-71.54
C[N@H+]1CCCC(CCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013647573	1	48	0.0	-77.64	376.83	7.32	-70.32
C[N@@H+]1CCCC(CCNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013647574	0	51	0.0	-80.11	371.86	6.57	-73.54
C[N@H+]1CCCC(CCNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013647574	1	51	0.0	-79.29	379.46	7.02	-72.27
C[N@@H+]1CCCC(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013647575	0	48	0.0	-79.18	369.23	6.87	-72.31
C[N@H+]1CCCC(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013647575	1	48	0.0	-78.35	376.83	7.31	-71.04
C[N@@H+]1CCCC(CCNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C1	REAL300013647576	0	58	0.0	-81.68	423.25	10.76	-70.92
C[N@H+]1CCCC(CCNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C1	REAL300013647576	1	58	0.0	-75.32	417.75	10.37	-64.95
CC1CC(C(=O)[O-])CN(C(=O)NCCC2CCC[N@H+](C)C2)C1	REAL300013647577	0	51	0.0	-64.88	362.82	8.13	-56.75
CC1CC(C(=O)[O-])CN(C(=O)NCCC2CCC[N@@H+](C)C2)C1	REAL300013647577	1	51	0.0	-64.21	362.11	8.10	-56.11
C[N@@H+]1CCCC(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013647578	0	51	0.0	-77.00	358.77	7.55	-69.45
C[N@H+]1CCCC(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013647578	1	51	0.0	-76.97	358.58	7.50	-69.47
CC1CCN(C(=O)NCCC2CCC[N@H+](C)C2)CC1C(=O)[O-]	REAL300013647579	0	51	0.0	-82.38	365.86	7.82	-74.56
CC1CCN(C(=O)NCCC2CCC[N@@H+](C)C2)CC1C(=O)[O-]	REAL300013647579	1	51	0.0	-64.39	356.44	7.49	-56.90
C[N@@H+]1CCCC(CCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013647580	0	52	0.0	-68.83	371.54	4.95	-63.88
C[N@H+]1CCCC(CCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013647580	1	52	0.0	-69.55	371.54	4.94	-64.61
CCC(CC)(CNC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300013647581	0	53	0.0	-69.74	375.12	6.40	-63.34
CCC(CC)(CNC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300013647581	1	53	0.0	-69.03	375.13	6.41	-62.62
CC(NC(=O)NCCC1CCC[N@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013647582	0	57	0.0	-80.63	407.87	7.51	-73.12
CC(NC(=O)NCCC1CCC[N@@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013647582	1	57	0.0	-80.10	407.86	7.51	-72.59
C[N@@H+]1CCCC(CCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013647583	0	54	0.0	-71.00	400.33	8.11	-62.89
C[N@H+]1CCCC(CCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013647583	1	54	0.0	-68.89	404.03	8.74	-60.15
C[N@@H+]1CCCC(CCNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013647584	0	54	0.0	-76.71	385.94	8.71	-68.00
C[N@H+]1CCCC(CCNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013647584	1	54	0.0	-76.70	385.96	8.72	-67.98
C[N@@H+]1CCCC(CCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013647585	0	50	0.0	-74.82	370.35	5.95	-68.87
C[N@H+]1CCCC(CCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013647585	1	50	0.0	-78.07	370.99	5.85	-72.22
C[N@@H+]1CCCC(CCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013647586	0	51	0.0	-68.83	367.48	6.97	-61.86
C[N@H+]1CCCC(CCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013647586	1	51	0.0	-68.17	367.47	6.97	-61.20
CC1CN(C(=O)NCCC2CCC[N@H+](C)C2)CCC1C(=O)[O-]	REAL300013647587	0	51	0.0	-73.57	358.54	7.98	-65.59
CC1CN(C(=O)NCCC2CCC[N@@H+](C)C2)CCC1C(=O)[O-]	REAL300013647587	1	51	0.0	-74.94	358.58	7.98	-66.96
C[N@@H+]1CCCC(CCNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013647588	0	51	0.0	-78.14	377.54	6.85	-71.29
C[N@H+]1CCCC(CCNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013647588	1	51	0.0	-77.67	377.54	6.84	-70.83
C[N@@H+]1CCCC(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013647589	0	51	0.0	-77.00	358.77	7.55	-69.45
C[N@H+]1CCCC(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013647589	1	51	0.0	-76.97	358.58	7.50	-69.47
CC(C)C[C@H](CNC(=O)NCCC1CCC[N@H+](C)C1)CC(=O)[O-]	REAL300013647590	0	56	0.0	-75.31	405.56	7.65	-67.66
CC(C)C[C@H](CNC(=O)NCCC1CCC[N@@H+](C)C1)CC(=O)[O-]	REAL300013647590	1	56	0.0	-76.08	397.95	7.21	-68.87
C[N@@H+]1CCCC(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013647591	0	48	0.0	-74.72	362.83	6.99	-67.73
C[N@H+]1CCCC(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013647591	1	48	0.0	-75.89	362.82	6.98	-68.91
COCC1(C(=O)[O-])CCN(C(=O)NCCC2CCC[N@H+](C)C2)C1	REAL300013647592	0	52	0.0	-79.64	380.98	6.81	-72.83
COCC1(C(=O)[O-])CCN(C(=O)NCCC2CCC[N@@H+](C)C2)C1	REAL300013647592	1	52	0.0	-82.69	380.74	6.47	-76.22
C[N@@H+]1CCCC(CCNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013647593	0	53	0.0	-75.37	384.96	4.43	-70.94
C[N@H+]1CCCC(CCNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013647593	1	53	0.0	-74.51	392.57	4.86	-69.65
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCCC3CCC[N@H+](C)C3)C2)C=N1	REAL300013647594	0	58	0.0	-78.82	423.28	8.62	-70.20
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCCC3CCC[N@@H+](C)C3)C2)C=N1	REAL300013647594	1	58	0.0	-68.69	428.74	8.55	-60.14
C[N@@H+]1CCCC(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013647595	0	48	0.0	-79.18	369.23	6.87	-72.31
C[N@H+]1CCCC(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013647595	1	48	0.0	-78.35	376.83	7.31	-71.04
COC(=O)C1CC2(C1)CN(C(=O)NCCC1CCC[N@H+](C)C1)CC2C(=O)[O-]	REAL300013647596	0	58	0.0	-72.70	429.65	8.74	-63.96
COC(=O)C1CC2(C1)CN(C(=O)NCCC1CCC[N@@H+](C)C1)CC2C(=O)[O-]	REAL300013647596	1	58	0.0	-67.46	419.43	8.42	-59.04
C[N@@H+]1CCCC(CCNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013647597	0	54	0.0	-84.37	379.55	8.67	-75.70
C[N@H+]1CCCC(CCNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013647597	1	54	0.0	-84.59	379.21	8.63	-75.96
C[N@@H+]1CCCC(CCNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013647598	0	56	0.0	-78.54	417.45	7.90	-70.64
C[N@H+]1CCCC(CCNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013647598	1	56	0.0	-77.75	425.06	8.34	-69.41
C[N@@H+]1CCCC(CCNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013647599	0	53	0.0	-79.40	395.95	7.12	-72.28
C[N@H+]1CCCC(CCNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013647599	1	53	0.0	-78.62	403.57	7.56	-71.06
C[N@@H+]1CCCC(CCNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013647600	0	51	0.0	-81.60	361.44	8.01	-73.59
C[N@H+]1CCCC(CCNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013647600	1	51	0.0	-81.67	360.93	7.99	-73.68
COCC1(C(=O)[O-])CCCN(C(=O)NCCC2CCC[N@H+](C)C2)C1	REAL300013647601	0	55	0.0	-84.96	391.99	7.78	-77.18
COCC1(C(=O)[O-])CCCN(C(=O)NCCC2CCC[N@@H+](C)C2)C1	REAL300013647601	1	55	0.0	-85.72	392.97	7.17	-78.55
COCCN(CCC(=O)[O-])C(=O)NCCC1CCC[N@H+](C)C1	REAL300013647602	0	51	0.0	-62.46	388.38	6.97	-55.49
COCCN(CCC(=O)[O-])C(=O)NCCC1CCC[N@@H+](C)C1	REAL300013647602	1	51	0.0	-62.94	388.41	6.97	-55.97
C[N@@H+]1CCCC(CCNC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C1	REAL300013647603	0	57	0.0	-81.99	426.03	9.18	-72.81
C[N@H+]1CCCC(CCNC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C1	REAL300013647603	1	57	0.0	-81.04	419.17	9.28	-71.76
C[N@@H+]1CCCC(CCNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013647604	0	54	0.0	-80.85	386.31	8.69	-72.16
C[N@H+]1CCCC(CCNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013647604	1	54	0.0	-80.75	386.30	8.69	-72.06
C[N@@H+]1CCCC(CCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013647605	0	52	0.0	-87.54	381.86	9.31	-78.23
C[N@H+]1CCCC(CCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013647605	1	52	0.0	-84.34	381.22	9.51	-74.83
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCC2CCC[N@@H+](C)C2)CCO1	REAL300013647606	0	59	0.0	-70.78	435.17	6.87	-63.91
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCC2CCC[N@H+](C)C2)CCO1	REAL300013647606	1	59	0.0	-78.43	434.07	7.92	-70.51
C[N@@H+]1CCCC(CCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013647607	0	49	0.0	-73.17	358.05	5.94	-67.23
C[N@H+]1CCCC(CCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013647607	1	49	0.0	-73.22	358.05	5.94	-67.28
CC1CCC(C(=O)[O-])CN1C(=O)NCCC1CCC[N@H+](C)C1	REAL300013647608	0	51	0.0	-63.77	361.39	7.80	-55.97
CC1CCC(C(=O)[O-])CN1C(=O)NCCC1CCC[N@@H+](C)C1	REAL300013647608	1	51	0.0	-62.99	359.94	7.84	-55.15
C[N@@H+]1CCCC(CCNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013647609	0	55	0.0	-67.42	415.73	10.23	-57.19
C[N@H+]1CCCC(CCNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013647609	1	55	0.0	-68.03	414.57	10.26	-57.77
C[N@@H+]1CCCC(CCNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013647610	0	49	0.0	-78.81	355.61	4.81	-74.00
C[N@H+]1CCCC(CCNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013647610	1	49	0.0	-78.62	355.57	4.81	-73.81
C[N@@H+]1CCCC(CCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013647611	0	52	0.0	-73.26	394.16	8.34	-64.92
C[N@H+]1CCCC(CCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013647611	1	52	0.0	-74.05	386.00	7.84	-66.21
C[N@@H+]1CCCC(CCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013647612	0	55	0.0	-90.04	392.84	6.95	-83.09
C[N@H+]1CCCC(CCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013647612	1	55	0.0	-91.19	397.54	7.09	-84.10
COCC1(C(=O)[O-])CCN(C(=O)NCCC2CCC[N@H+](C)C2)CC1	REAL300013647613	0	55	0.0	-80.63	390.77	6.67	-73.96
COCC1(C(=O)[O-])CCN(C(=O)NCCC2CCC[N@@H+](C)C2)CC1	REAL300013647613	1	55	0.0	-78.67	389.56	7.44	-71.23
C[N@@H+]1CCCC(CCNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013647614	0	57	0.0	-76.02	392.71	7.57	-68.45
C[N@H+]1CCCC(CCNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013647614	1	57	0.0	-74.57	392.85	7.57	-67.00
C[N@@H+]1CCCC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013647615	0	51	0.0	-70.92	366.11	6.95	-63.97
C[N@H+]1CCCC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013647615	1	51	0.0	-71.00	367.41	7.01	-63.99
C[N@@H+]1CCCC(CCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013647616	0	54	0.0	-78.45	391.60	7.30	-71.15
C[N@H+]1CCCC(CCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013647616	1	54	0.0	-77.70	390.28	7.25	-70.45
C[N@@H+]1CCCC(CCNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013647617	0	51	0.0	-70.68	363.63	7.94	-62.74
C[N@H+]1CCCC(CCNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013647617	1	51	0.0	-70.75	363.65	7.94	-62.81
C[N@@H+]1CCCC(CCNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013647618	0	52	0.0	-79.12	380.24	7.35	-71.77
C[N@H+]1CCCC(CCNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013647618	1	52	0.0	-79.08	380.19	7.32	-71.76
C[N@@H+]1CCCC(CCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013647619	0	51	0.0	-74.28	371.32	6.56	-67.72
C[N@H+]1CCCC(CCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013647619	1	51	0.0	-73.49	378.96	7.01	-66.48
C[N@@H+]1CCCC(CCNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013647620	0	51	0.0	-71.75	366.90	7.00	-64.75
C[N@H+]1CCCC(CCNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013647620	1	51	0.0	-73.95	370.52	6.55	-67.40
C[N@@H+]1CCCC(CCNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013647621	0	52	0.0	-66.31	372.39	5.04	-61.27
C[N@H+]1CCCC(CCNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013647621	1	52	0.0	-72.02	376.58	5.51	-66.51
C[N@@H+]1CCCC(CCNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013647622	0	49	0.0	-69.13	361.12	4.27	-64.86
C[N@H+]1CCCC(CCNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013647622	1	49	0.0	-69.85	361.12	4.27	-65.58
C[N@@H+]1CCCC(CCNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C1	REAL300013647623	0	60	0.0	-77.81	444.43	9.26	-68.55
C[N@H+]1CCCC(CCNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C1	REAL300013647623	1	60	0.0	-77.49	444.39	9.26	-68.23
C[N@@H+]1CCCC(CCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013647624	0	52	0.0	-68.48	373.68	8.05	-60.43
C[N@H+]1CCCC(CCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013647624	1	52	0.0	-67.75	381.30	8.49	-59.26
C[N@@H+]1CCCC(CCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013647625	0	48	0.0	-71.04	367.04	7.12	-63.92
C[N@H+]1CCCC(CCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013647625	1	48	0.0	-69.84	363.41	7.06	-62.78
C[N@@H+]1CCCC(CCNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013647626	0	49	0.0	-81.49	353.78	6.50	-74.99
C[N@H+]1CCCC(CCNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013647626	1	49	0.0	-81.48	353.78	6.50	-74.98
COC1CC(C(=O)[O-])CN(C(=O)NCCC2CCC[N@H+](C)C2)C1	REAL300013647627	0	52	0.0	-64.95	378.84	6.26	-58.69
COC1CC(C(=O)[O-])CN(C(=O)NCCC2CCC[N@@H+](C)C2)C1	REAL300013647627	1	52	0.0	-64.68	378.85	6.26	-58.42
C[N@@H+]1CCCC(CCNC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C1	REAL300013647628	0	57	0.0	-85.78	424.59	5.83	-79.95
C[N@H+]1CCCC(CCNC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C1	REAL300013647628	1	57	0.0	-86.07	424.59	5.83	-80.24
O=C([O-])CCNC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(F)=C1	REAL300013647629	0	52	0.0	-80.68	421.63	9.61	-71.07
O=C([O-])CCNC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(F)=C1	REAL300013647629	1	52	0.0	-80.84	419.74	9.60	-71.24
O=C([O-])CCCNC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(F)=C1	REAL300013647630	0	55	0.0	-78.49	443.13	10.40	-68.09
O=C([O-])CCCNC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(F)=C1	REAL300013647630	1	55	0.0	-79.90	441.24	10.40	-69.50
CC(CNC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300013647631	0	55	0.0	-83.22	438.00	10.22	-73.00
CC(CNC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300013647631	1	55	0.0	-83.71	440.80	10.41	-73.30
O=C([O-])C1CN(C(=O)N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC(F)=C2)C1	REAL300013647632	0	53	0.0	-73.19	429.80	11.19	-62.00
O=C([O-])C1CN(C(=O)N[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C2=CC=CC(F)=C2)C1	REAL300013647632	1	53	0.0	-77.06	428.73	11.19	-65.87
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NN(C)C=C1	REAL300013647644	1	45	0.0	-37.68	355.56	4.87	-32.81
CCCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CCCC1	REAL300013647730	1	54	0.0	-34.03	389.04	8.22	-25.81
CO[C@@H]1COC[C@@H]1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013647774	1	44	0.0	-35.76	339.80	2.23	-33.53
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCNC2=O)CC1	REAL300013647808	1	46	0.0	-38.21	349.92	3.07	-35.14
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013647861	1	45	0.0	-36.53	367.40	7.64	-28.89
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013647928	1	45	0.0	-36.39	367.35	7.64	-28.75
CC1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C	REAL300013647995	1	51	0.0	-35.95	388.70	8.29	-27.66
COC1=CC=CC=C1C(C)(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013648095	1	55	0.0	-36.99	407.31	7.80	-29.19
CC1=CC=CC(C(C)(C)CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013648169	1	54	0.0	-41.18	404.24	8.80	-32.38
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(F)(F)F)CC1	REAL300013648245	1	45	0.0	-37.37	363.32	7.71	-29.66
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013648308	1	48	0.0	-35.22	364.47	7.50	-27.72
COC1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013648372	1	49	0.0	-41.56	380.12	6.42	-35.14
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2Br)CC1	REAL300013648445	1	42	0.0	-35.61	351.41	6.87	-28.74
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=C(F)C=CC=C2Cl)CC1	REAL300013648518	1	42	0.0	-36.81	352.50	6.70	-30.11
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(F)C=C2F)CC1	REAL300013648587	1	42	0.0	-37.25	345.13	6.36	-30.89
CCC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013648643	1	48	0.0	-39.38	376.03	7.71	-31.67
CC1=CC(C)=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=C1	REAL300013648707	1	51	0.0	-39.29	389.17	7.96	-31.33
CC(CCC1=CC=C2OCOC2=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013648780	1	54	0.0	-41.13	421.98	7.49	-33.64
CCOC1=CC=CC=C1C(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013648851	1	52	0.0	-37.95	399.77	7.44	-30.51
CCCOC1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013648926	1	55	0.0	-41.00	423.47	8.14	-32.86
COC1=CC=C2C(=C1)CCCC2NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013649001	1	53	0.0	-37.93	396.03	7.02	-30.91
O=C([O-])C1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CC1	REAL300013649044	0	58	0.0	-75.30	420.76	10.87	-64.43
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C=C1	REAL300013649045	0	58	0.0	-78.18	444.85	10.50	-67.68
O=C([O-])C1CN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCO1	REAL300013649046	0	56	0.0	-66.34	413.90	9.33	-57.01
O=C([O-])C1CCC(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CC1	REAL300013649047	0	61	0.0	-71.40	441.74	10.58	-60.82
O=C([O-])CCCCNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300013649048	0	57	0.0	-78.69	428.59	9.17	-69.52
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)=CC=C1	REAL300013649049	0	58	0.0	-78.90	444.86	10.48	-68.42
O=C([O-])CCNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300013649050	0	51	0.0	-76.45	385.59	7.60	-68.85
O=C([O-])CCCCCNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300013649051	0	60	0.0	-77.05	450.09	9.95	-67.10
CC(C)(CNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300013649052	0	57	0.0	-79.25	421.03	9.05	-70.20
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013649053	0	58	0.0	-82.49	425.08	10.51	-71.98
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013649054	0	61	0.0	-64.12	441.91	11.44	-52.68
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CC1	REAL300013649055	0	61	0.0	-77.45	435.01	11.19	-66.26
O=C([O-])CCCNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300013649056	0	54	0.0	-73.46	407.09	8.39	-65.07
CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CC1C(=O)[O-]	REAL300013649057	0	61	0.0	-65.92	440.62	11.41	-54.51
CC(C)(CCNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300013649058	0	60	0.0	-74.21	439.79	9.27	-64.94
CCC(CC)(CNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300013649059	0	63	0.0	-69.17	447.98	10.24	-58.93
CC(CNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300013649060	0	54	0.0	-77.64	404.14	8.35	-69.29
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300013649061	0	60	0.0	-71.39	442.88	9.55	-61.84
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013649062	0	58	0.0	-70.71	428.07	9.68	-61.03
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCCC1	REAL300013649063	0	61	0.0	-70.56	445.55	10.44	-60.12
CC1CN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCC1C(=O)[O-]	REAL300013649064	0	61	0.0	-75.06	434.26	11.61	-63.45
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCC1	REAL300013649065	0	58	0.0	-68.43	428.47	9.60	-58.83
O=C([O-])CC(CNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1CC1	REAL300013649066	0	61	0.0	-79.18	452.60	10.37	-68.81
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CC1	REAL300013649067	0	61	0.0	-77.45	435.01	11.19	-66.26
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300013649068	0	58	0.0	-77.14	438.46	10.61	-66.53
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013649069	0	55	0.0	-74.01	413.42	9.34	-64.67
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013649070	0	58	0.0	-63.74	421.25	10.88	-52.86
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013649071	0	58	0.0	-82.77	421.80	10.91	-71.86
O=C([O-])C1CC(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013649072	0	55	0.0	-73.88	412.56	8.96	-64.92
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013649073	0	55	0.0	-75.45	412.12	9.01	-66.44
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)=CC=C1	REAL300013649074	0	58	0.0	-78.90	444.86	10.48	-68.42
CCC(CNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300013649075	0	57	0.0	-70.82	426.09	9.06	-61.76
O=C([O-])CCCCCCNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300013649076	0	63	0.0	-80.07	471.59	10.73	-69.34
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300013649077	0	57	0.0	-80.36	424.72	10.79	-69.57
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013649078	0	61	0.0	-81.88	436.42	11.65	-70.23
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300013649079	0	61	0.0	-63.22	456.41	10.15	-53.07
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300013649080	0	61	0.0	-64.18	436.99	11.44	-52.74
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013649081	0	59	0.0	-79.02	431.17	8.45	-70.57
O=C([O-])C12CC(NC(=O)NCC3=CC=C(C[NH+]4CCCCCC4)C=C3)(C1)C2	REAL300013649082	0	56	0.0	-80.53	422.30	9.18	-71.35
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CC1	REAL300013649083	0	61	0.0	-71.72	444.31	11.00	-60.72
O=C([O-])CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CC1	REAL300013649084	0	61	0.0	-70.40	439.29	11.56	-58.84
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013649085	0	61	0.0	-74.51	446.52	10.20	-64.31
O=C([O-])C1CCCC(NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013649086	0	61	0.0	-72.15	443.05	10.61	-61.54
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCOC1	REAL300013649087	0	59	0.0	-69.61	434.24	7.72	-61.89
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=C(C[NH+]3CCCCCC3)C=C1)C2	REAL300013649088	0	56	0.0	-74.49	423.92	9.70	-64.79
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CC1	REAL300013649089	0	55	0.0	-66.61	412.37	9.23	-57.38
O=C([O-])C1CN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CC12CCC2	REAL300013649090	0	62	0.0	-69.40	450.56	11.71	-57.69
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCO1	REAL300013649091	0	59	0.0	-81.70	429.46	10.12	-71.58
O=C([O-])C1CN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013649092	0	52	0.0	-70.25	393.12	9.25	-61.00
O=C([O-])C1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013649093	0	55	0.0	-77.17	408.22	9.97	-67.20
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=C(C[NH+]3CCCCCC3)C=C1)C2	REAL300013649094	0	56	0.0	-80.05	423.33	9.69	-70.36
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300013649095	0	57	0.0	-71.90	426.85	9.41	-62.49
O=C([O-])C[NH+]1CCC(NC(=O)NCCCOC2=CC=C(F)C=C2)CC1	REAL300013649126	1	49	0.0	-38.12	390.63	6.67	-31.45
COC1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(OC)=C1	REAL300013649200	1	53	0.0	-39.72	412.44	5.70	-34.02
CC1(C)CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=CC=C21	REAL300013649275	1	55	0.0	-36.37	399.99	8.56	-27.81
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300013649377	1	51	0.0	-40.78	399.56	8.64	-32.14
COC1=CC=C(C(C)(C)CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013649451	1	55	0.0	-38.32	412.32	7.42	-30.90
CC1=CC(C)=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=C1	REAL300013649522	1	51	0.0	-39.29	389.17	7.96	-31.33
CC(C)NS(=O)(=O)CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013649593	1	49	0.0	-46.22	391.59	0.96	-45.26
N#CC1=CC=C(N2CCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)CC2)C=C1	REAL300013649724	1	55	0.0	-40.15	424.58	7.26	-32.89
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013649760	0	52	0.0	-72.46	398.56	8.66	-63.80
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013649761	0	52	0.0	-74.07	422.75	8.29	-65.78
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013649762	0	50	0.0	-71.36	391.69	7.13	-64.23
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013649763	0	55	0.0	-69.90	419.64	8.35	-61.55
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCCCCC(=O)[O-]	REAL300013649764	0	51	0.0	-71.90	406.48	6.95	-64.95
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013649765	0	52	0.0	-78.40	422.75	8.26	-70.14
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCCC(=O)[O-]	REAL300013649766	0	45	0.0	-67.97	363.49	5.38	-62.59
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013649767	0	54	0.0	-71.47	427.98	7.73	-63.74
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013649768	0	51	0.0	-70.53	398.33	6.86	-63.67
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013649769	0	52	0.0	-66.37	402.98	8.31	-58.06
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C1	REAL300013649770	0	55	0.0	-61.02	415.09	9.50	-51.52
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013649771	0	55	0.0	-75.16	412.21	8.99	-66.17
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013649772	0	48	0.0	-66.79	384.98	6.18	-60.61
CC1CCN(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)CC1C(=O)[O-]	REAL300013649773	0	55	0.0	-72.41	414.85	9.10	-63.31
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013649774	0	56	0.0	-67.44	425.07	6.33	-61.11
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013649775	0	54	0.0	-67.97	417.69	7.05	-60.92
CCC(CC)(CNC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300013649776	0	57	0.0	-55.01	425.87	8.02	-46.99
CC(CNC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300013649777	0	48	0.0	-69.52	381.16	6.12	-63.40
CC(C)C(CNC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300013649778	0	54	0.0	-58.17	420.76	7.33	-50.84
CC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013649779	0	61	0.0	-67.91	457.77	8.74	-59.17
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013649780	0	58	0.0	-58.86	453.85	9.50	-49.36
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013649781	0	52	0.0	-65.27	406.40	7.43	-57.84
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013649782	0	58	0.0	-74.24	439.41	10.15	-64.09
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013649783	0	54	0.0	-67.10	416.11	6.94	-60.16
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013649784	0	55	0.0	-67.52	423.44	8.22	-59.30
CC1CN(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)CCC1C(=O)[O-]	REAL300013649785	0	55	0.0	-61.86	412.00	9.40	-52.46
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013649786	0	52	0.0	-64.70	406.38	7.38	-57.32
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013649787	0	55	0.0	-65.48	430.49	8.15	-57.33
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013649788	0	55	0.0	-75.16	412.21	8.99	-66.17
CC(C)C[C@H](CNC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)CC(=O)[O-]	REAL300013649789	0	60	0.0	-59.71	451.50	8.55	-51.16
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013649790	0	52	0.0	-74.58	416.37	8.40	-66.18
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C1	REAL300013649791	0	56	0.0	-65.62	436.71	7.35	-58.27
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013649792	0	49	0.0	-69.01	390.41	6.75	-62.26
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013649793	0	57	0.0	-69.83	438.46	5.84	-63.99
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013649794	0	52	0.0	-61.76	399.62	8.68	-53.08
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013649795	0	52	0.0	-58.20	400.09	8.72	-49.48
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1CC(C(=O)[O-])C1	REAL300013649796	0	49	0.0	-69.15	390.45	6.75	-62.40
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013649797	0	49	0.0	-70.42	389.93	6.79	-63.63
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013649798	0	52	0.0	-78.40	422.75	8.26	-70.14
CCC(CNC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300013649799	0	51	0.0	-57.82	403.98	6.85	-50.97
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013649800	0	58	0.0	-78.23	433.26	10.06	-68.17
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013649801	0	60	0.0	-73.70	470.97	9.31	-64.39
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013649802	0	57	0.0	-74.21	449.48	8.51	-65.70
CN(CCCC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300013649803	0	51	0.0	-64.88	402.61	8.58	-56.30
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013649804	0	55	0.0	-73.12	414.31	9.42	-63.70
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C1	REAL300013649805	0	59	0.0	-76.05	444.94	9.31	-66.74
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300013649806	0	55	0.0	-61.82	434.30	7.93	-53.89
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013649807	0	58	0.0	-74.19	439.76	10.14	-64.05
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013649808	0	56	0.0	-61.55	432.84	11.17	-50.38
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013649809	0	53	0.0	-65.26	411.77	7.44	-57.82
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300013649810	0	55	0.0	-58.20	416.11	9.28	-48.92
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013649811	0	53	0.0	-67.88	409.03	6.21	-61.67
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013649812	0	56	0.0	-70.96	445.42	9.52	-61.44
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)CC1	REAL300013649813	0	59	0.0	-78.47	444.22	8.10	-70.37
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013649814	0	50	0.0	-72.80	400.19	6.98	-65.82
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013649815	0	61	0.0	-72.54	446.39	8.95	-63.59
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013649816	0	55	0.0	-61.09	420.95	8.40	-52.69
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013649817	0	58	0.0	-72.96	445.13	8.69	-64.27
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013649818	0	55	0.0	-66.74	417.18	9.34	-57.40
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013649819	0	56	0.0	-76.48	433.63	8.75	-67.73
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013649820	0	55	0.0	-71.17	425.37	7.98	-63.19
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013649821	0	55	0.0	-64.58	420.94	8.39	-56.19
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013649822	0	56	0.0	-64.31	427.32	6.55	-57.76
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013649823	0	53	0.0	-56.76	412.13	5.52	-51.24
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013649824	0	50	0.0	-70.93	401.93	7.45	-63.48
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CC1	REAL300013649825	0	49	0.0	-62.55	390.63	7.12	-55.43
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013649826	0	56	0.0	-63.64	427.22	9.44	-54.20
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013649827	0	53	0.0	-72.96	407.35	7.90	-65.06
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C1	REAL300013649828	0	46	0.0	-61.85	371.23	6.95	-54.90
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC=C2OCC[NH+](C)C)C1	REAL300013649829	0	56	0.0	-58.86	432.21	7.69	-51.17
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])C1	REAL300013649830	0	49	0.0	-67.91	386.10	7.76	-60.15
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013649831	0	50	0.0	-71.12	400.85	7.49	-63.63
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C	REAL300013649832	0	51	0.0	-68.52	404.74	7.19	-61.33
O=C([O-])C[NH+]1CCC(NC(=O)NC2COC3=CC=CC=C32)CC1	REAL300013649853	1	44	0.0	-37.33	347.03	5.46	-31.87
CN(C)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013649920	1	50	0.0	-38.00	394.05	5.82	-32.18
CC(C)(C)OCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013649970	1	48	0.0	-35.77	362.60	4.42	-31.35
CC1=CC(Br)=CC(C)=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013650023	1	48	0.0	-39.32	389.05	7.91	-31.41
COCCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013650066	1	48	0.0	-36.94	371.01	4.62	-32.32
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C2OCOC2=C1	REAL300013650122	1	54	0.0	-43.68	408.86	6.78	-36.90
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C2OCCOC2=C1	REAL300013650193	1	57	0.0	-43.90	427.30	7.28	-36.62
CN1CCCC2=CC(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C21	REAL300013650260	1	54	0.0	-36.40	407.31	6.82	-29.58
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCC3=CC(OC(F)F)=CC=C32)CC1	REAL300013650334	1	53	0.0	-39.31	405.78	7.30	-32.01
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300013650369	0	51	0.0	-75.58	387.54	9.50	-66.08
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300013650369	1	51	0.0	-75.64	387.59	9.49	-66.15
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013650370	0	51	0.0	-76.97	411.67	9.11	-67.86
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CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)=C1	REAL300013650422	0	58	0.0	-83.54	440.02	9.35	-74.19
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)=C1	REAL300013650422	1	58	0.0	-94.50	439.98	9.35	-85.15
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC(COC)(C(=O)[O-])CC2)=C1	REAL300013650423	0	58	0.0	-78.52	433.12	8.93	-69.59
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC(COC)(C(=O)[O-])CC2)=C1	REAL300013650423	1	58	0.0	-73.21	433.18	8.92	-64.29
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013650424	0	49	0.0	-79.58	389.12	7.82	-71.76
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013650424	1	49	0.0	-78.50	389.11	7.80	-70.70
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300013650425	0	60	0.0	-75.79	435.31	9.80	-65.99
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300013650425	1	60	0.0	-70.18	435.31	9.77	-60.41
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013650426	0	54	0.0	-71.95	408.55	9.19	-62.76
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013650426	1	54	0.0	-67.76	409.86	9.24	-58.52
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300013650427	0	57	0.0	-76.51	432.74	9.49	-67.02
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300013650427	1	57	0.0	-76.69	434.05	9.53	-67.16
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300013650428	0	54	0.0	-76.33	406.06	10.19	-66.14
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300013650428	1	54	0.0	-76.49	406.12	10.17	-66.32
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)=C1	REAL300013650429	0	55	0.0	-78.50	422.61	9.59	-68.91
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)=C1	REAL300013650429	1	55	0.0	-78.54	422.66	9.58	-68.96
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013650430	0	54	0.0	-74.02	413.77	8.79	-65.23
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013650430	1	54	0.0	-74.18	414.30	8.82	-65.36
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300013650431	0	54	0.0	-71.87	413.81	8.80	-63.07
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300013650431	1	54	0.0	-74.03	413.77	8.79	-65.24
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300013650432	0	55	0.0	-68.71	419.12	7.66	-61.05
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300013650432	1	55	0.0	-67.46	416.23	7.37	-60.09
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300013650433	0	52	0.0	-65.08	401.05	6.34	-58.74
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300013650433	1	52	0.0	-63.10	401.05	6.34	-56.76
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013650434	0	49	0.0	-71.31	390.47	8.32	-62.99
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013650434	1	49	0.0	-74.18	390.52	8.32	-65.86
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013650435	0	48	0.0	-66.62	379.55	7.97	-58.65
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013650435	1	48	0.0	-65.00	379.54	7.95	-57.05
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300013650436	0	55	0.0	-67.79	417.38	10.35	-57.44
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300013650436	1	55	0.0	-66.38	417.38	10.35	-56.03
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300013650437	0	51	0.0	-67.30	408.40	9.36	-57.94
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300013650437	1	51	0.0	-66.66	408.39	9.36	-57.30
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013650438	0	52	0.0	-79.67	396.23	8.73	-70.94
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013650438	1	52	0.0	-79.54	396.22	8.75	-70.79
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])C2)=C1	REAL300013650439	0	45	0.0	-66.90	360.14	7.80	-59.10
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])C2)=C1	REAL300013650439	1	45	0.0	-67.84	360.14	7.81	-60.03
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CC(OC)CC(C(=O)[O-])C2)=C1	REAL300013650440	0	55	0.0	-67.18	420.13	8.64	-58.54
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CC(OC)CC(C(=O)[O-])C2)=C1	REAL300013650440	1	55	0.0	-59.08	421.19	8.51	-50.57
CC[N@H+](C)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013650441	0	48	0.0	-76.09	375.03	8.60	-67.49
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013650441	1	48	0.0	-74.60	375.02	8.61	-65.99
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013650442	0	49	0.0	-78.49	390.20	8.33	-70.16
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013650442	1	49	0.0	-78.62	390.14	8.32	-70.30
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C)CCC(=O)[O-])=C1	REAL300013650443	0	50	0.0	-71.44	393.66	8.03	-63.41
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C)CCC(=O)[O-])=C1	REAL300013650443	1	50	0.0	-71.42	393.66	8.02	-63.40
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(Br)=C2)CC1	REAL300013650494	1	42	0.0	-36.33	354.43	6.88	-29.45
CC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013650536	0	55	0.0	-66.74	409.01	10.67	-56.07
CC1=CC=C(C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)[NH+]2CCCC2)C=C1	REAL300013650537	0	55	0.0	-74.72	433.28	10.34	-64.38
CC1=CC=C(C(CNC(=O)N2CCOC(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650538	0	53	0.0	-60.95	402.68	9.17	-51.78
CC1=CC=C(C(CNC(=O)NC2CCC(C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013650539	0	58	0.0	-67.23	431.48	10.47	-56.76
CC1=CC=C(C(CNC(=O)NCCCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013650540	0	54	0.0	-72.45	415.84	8.92	-63.53
CC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+]2CCCC2)C=C1	REAL300013650541	0	55	0.0	-75.35	432.11	10.23	-65.12
CC1=CC=C(C(CNC(=O)NCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013650542	0	48	0.0	-68.53	372.84	7.34	-61.19
CC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013650543	0	57	0.0	-71.83	437.34	9.70	-62.13
CC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013650544	0	54	0.0	-71.58	407.69	8.81	-62.77
CC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650545	0	55	0.0	-74.66	414.05	10.37	-64.29
CC1=CC=C(C(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650546	0	58	0.0	-58.04	431.17	11.32	-46.72
CC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013650547	0	58	0.0	-71.64	422.61	10.97	-60.67
CC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013650548	0	51	0.0	-67.52	394.34	8.14	-59.38
CC1=CC=C(C(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650549	0	58	0.0	-73.35	425.72	11.16	-62.19
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)[NH+]2CCCC2)C=C1	REAL300013650550	0	59	0.0	-57.67	436.60	8.22	-49.45
CC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013650551	0	57	0.0	-68.67	427.63	9.02	-59.65
CCC(CC)(CNC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013650552	0	60	0.0	-60.80	439.94	9.82	-50.98
CC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013650553	0	51	0.0	-69.95	392.20	8.13	-61.82
CC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300013650554	0	57	0.0	-61.59	430.13	9.29	-52.30
CC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650555	0	55	0.0	-66.18	412.78	9.96	-56.22
CC1=CC=C(C(CNC(=O)N2CCC(CCC(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013650556	0	61	0.0	-70.94	449.86	12.16	-58.78
CC1=CC=C(C(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650557	0	57	0.0	-69.77	416.85	8.43	-61.34
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)C=C1	REAL300013650558	0	58	0.0	-59.22	433.98	10.29	-48.93
CC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)[NH+]2CCCC2)C=C1	REAL300013650559	0	58	0.0	-71.47	422.35	11.44	-60.03
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCC2)[NH+]2CCCC2)C=C1	REAL300013650560	0	55	0.0	-58.25	416.90	9.44	-48.81
CC1=CC=C(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300013650561	0	58	0.0	-70.40	440.76	10.18	-60.22
CC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013650562	0	58	0.0	-71.64	422.61	10.97	-60.67
CC1=CC=C(C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+]2CCCC2)C=C1	REAL300013650563	0	63	0.0	-68.44	462.39	10.67	-57.77
CC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013650564	0	55	0.0	-62.85	426.90	10.44	-52.41
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=C(C)C=C2)[NH+]2CCCC2)C1	REAL300013650565	0	59	0.0	-74.21	447.75	9.42	-64.79
CC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650566	0	52	0.0	-68.93	401.06	8.81	-60.12
CC1=CC=C(C(CNC(=O)NC2CCN(CC(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013650567	0	60	0.0	-71.03	449.54	7.89	-63.14
CC1=CC=C(C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650568	0	55	0.0	-59.11	409.28	10.69	-48.42
CC1=CC=C(C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650569	0	55	0.0	-53.56	406.94	11.50	-42.06
CC1=CC=C(C(CNC(=O)NC2CC(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650570	0	52	0.0	-68.41	400.60	8.80	-59.61
CC1=CC=C(C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650571	0	52	0.0	-68.50	397.46	9.42	-59.08
CC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+]2CCCC2)C=C1	REAL300013650572	0	55	0.0	-75.35	432.11	10.23	-65.12
CCC(CNC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013650573	0	54	0.0	-63.42	413.34	8.80	-54.62
CC1=CC=C(C(CNC(=O)N2CCCCC2CCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013650574	0	61	0.0	-73.97	444.20	12.11	-61.86
CC1=CC=C(C(CNC(=O)NCCCCCCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013650575	0	63	0.0	-74.01	480.34	11.26	-62.75
CC1=CC=C(C(CNC(=O)NCCCCCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013650576	0	60	0.0	-74.40	458.84	10.48	-63.92
CC1=CC=C(C(CNC(=O)N(C)CCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013650577	0	54	0.0	-69.78	411.97	10.53	-59.25
CC1=CC=C(C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650578	0	58	0.0	-60.51	425.11	11.50	-49.01
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1	REAL300013650579	0	58	0.0	-60.28	443.61	9.89	-50.39
CC1=CC=C(C(CNC(=O)N2CCCC(CCC(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650580	0	61	0.0	-64.69	450.14	12.16	-52.53
CC1=CC=C(C(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013650581	0	56	0.0	-68.93	422.52	9.45	-59.48
CC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])CCC2C)[NH+]2CCCC2)C=C1	REAL300013650582	0	58	0.0	-59.53	425.00	11.31	-48.22
CC1=CC=C(C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650583	0	56	0.0	-59.53	419.95	8.29	-51.24
CC1=CC=C(C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)[NH+]2CCCC2)C=C1	REAL300013650584	0	53	0.0	-74.46	411.02	9.03	-65.43
CC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013650585	0	58	0.0	-64.43	431.34	10.45	-53.98
CC1=CC=C(C(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013650586	0	61	0.0	-73.92	454.64	10.71	-63.21
CC1=CC=C(C(CNC(=O)N2CCC(CC(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013650587	0	58	0.0	-71.05	427.55	11.38	-59.67
CC1=CC=C(C(CNC(=O)N2CCC(OCC(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013650588	0	59	0.0	-71.00	444.08	10.77	-60.23
CC1=CC=C(C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650589	0	58	0.0	-69.78	435.79	10.02	-59.76
CC1=CC=C(C(CNC(=O)NC2CCCC(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650590	0	58	0.0	-69.80	434.21	9.92	-59.88
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCOC2)[NH+]2CCCC2)C=C1	REAL300013650591	0	59	0.0	-57.54	437.86	8.60	-48.94
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOC2)[NH+]2CCCC2)C=C1	REAL300013650592	0	56	0.0	-61.85	422.65	7.56	-54.29
CC1=CC=C(C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+]2CCCC2)C=C1	REAL300013650593	0	53	0.0	-64.87	409.11	10.18	-54.69
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013650594	0	52	0.0	-56.69	400.81	9.06	-47.63
CC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)[NH+]2CCCC2)C=C1	REAL300013650595	0	59	0.0	-63.51	438.98	11.55	-51.96
CC1=CC=C(C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650596	0	56	0.0	-62.65	418.62	10.01	-52.64
CC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650597	0	49	0.0	-62.42	381.64	9.00	-53.42
COC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=C(C)C=C2)[NH+]2CCCC2)C1	REAL300013650598	0	59	0.0	-59.30	442.51	9.73	-49.57
CC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013650599	0	52	0.0	-69.56	396.53	9.80	-59.76
CC1=CC=C(C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+]2CCCC2)C=C1	REAL300013650600	0	53	0.0	-74.19	411.41	9.54	-64.65
CC1=CC=C(C(CNC(=O)NC(C)CCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013650601	0	54	0.0	-66.73	414.10	9.15	-57.58
O=C([O-])C1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CC1	REAL300013650602	0	58	0.0	-76.08	420.76	10.85	-65.23
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C=C1	REAL300013650603	0	58	0.0	-76.53	444.37	10.52	-66.01
O=C([O-])C1CN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCO1	REAL300013650604	0	56	0.0	-79.56	413.86	9.33	-70.23
O=C([O-])C1CCC(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CC1	REAL300013650605	0	61	0.0	-71.41	441.26	10.58	-60.83
O=C([O-])CCCCNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300013650606	0	57	0.0	-76.34	428.10	9.20	-67.14
O=C([O-])C1=CC(CNC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)=CC=C1	REAL300013650607	0	58	0.0	-79.16	444.37	10.50	-68.66
O=C([O-])CCNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300013650608	0	51	0.0	-73.56	385.11	7.62	-65.94
O=C([O-])CCCCCNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300013650609	0	60	0.0	-75.01	449.60	9.98	-65.03
CC(C)(CNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300013650610	0	57	0.0	-76.43	420.54	9.08	-67.35
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013650611	0	58	0.0	-78.48	425.09	10.50	-67.98
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013650612	0	61	0.0	-62.69	436.78	11.72	-50.97
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CC1	REAL300013650613	0	61	0.0	-78.37	434.40	11.17	-67.20
O=C([O-])CCCNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300013650614	0	54	0.0	-71.04	406.61	8.42	-62.62
CC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CC1C(=O)[O-]	REAL300013650615	0	61	0.0	-63.87	431.35	11.09	-52.78
CC(C)(CCNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300013650616	0	60	0.0	-71.90	439.31	9.29	-62.61
CCC(CC)(CNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300013650617	0	63	0.0	-70.02	452.20	10.10	-59.92
CC(CNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300013650618	0	54	0.0	-74.71	402.78	8.36	-66.35
CC(C)C(CNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300013650619	0	60	0.0	-68.79	436.13	9.70	-59.09
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013650620	0	58	0.0	-69.96	428.73	9.66	-60.30
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCCC1	REAL300013650621	0	61	0.0	-70.96	445.49	10.43	-60.53
CC1CN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCC1C(=O)[O-]	REAL300013650622	0	61	0.0	-70.83	434.17	11.59	-59.24
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCC1	REAL300013650623	0	58	0.0	-67.76	427.09	9.76	-58.00
O=C([O-])CC(CNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1CC1	REAL300013650624	0	61	0.0	-73.95	452.11	10.40	-63.55
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CC1	REAL300013650625	0	61	0.0	-78.37	434.40	11.17	-67.20
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300013650626	0	58	0.0	-78.13	438.67	10.61	-67.52
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013650627	0	55	0.0	-71.76	412.09	8.98	-62.78
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013650628	0	58	0.0	-60.78	421.04	10.85	-49.93
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013650629	0	58	0.0	-64.72	422.27	10.91	-53.81
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013650630	0	55	0.0	-73.63	412.50	8.95	-64.68
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013650631	0	55	0.0	-73.56	411.62	9.03	-64.53
O=C([O-])C1=CC(CNC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)=CC=C1	REAL300013650632	0	58	0.0	-79.16	444.37	10.50	-68.66
CCC(CNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300013650633	0	57	0.0	-65.55	425.61	9.08	-56.47
O=C([O-])CCCCCCNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300013650634	0	63	0.0	-77.92	471.10	10.76	-67.16
CN(CCCC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300013650635	0	57	0.0	-74.59	424.23	10.81	-63.78
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013650636	0	61	0.0	-80.60	436.41	11.62	-68.98
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300013650637	0	61	0.0	-62.65	455.92	10.17	-52.48
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300013650638	0	61	0.0	-63.90	436.99	11.43	-52.47
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013650639	0	59	0.0	-76.88	431.13	8.42	-68.46
O=C([O-])C12CC(NC(=O)NCC3=CC=CC(C[NH+]4CCCCCC4)=C3)(C1)C2	REAL300013650640	0	56	0.0	-79.33	422.30	9.18	-70.15
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CC1	REAL300013650641	0	61	0.0	-68.55	443.06	10.61	-57.94
O=C([O-])CC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CC1	REAL300013650642	0	61	0.0	-70.37	439.30	11.55	-58.82
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013650643	0	61	0.0	-74.79	447.71	10.19	-64.60
O=C([O-])C1CCCC(NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013650644	0	61	0.0	-73.48	446.47	10.19	-63.29
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCOC1	REAL300013650645	0	59	0.0	-65.90	434.45	7.73	-58.17
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=CC(C[NH+]3CCCCCC3)=C1)C2	REAL300013650646	0	56	0.0	-74.80	423.71	9.67	-65.13
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CC1	REAL300013650647	0	55	0.0	-67.05	412.67	9.32	-57.73
O=C([O-])C1CN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CC12CCC2	REAL300013650648	0	62	0.0	-67.95	450.56	11.70	-56.25
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCO1	REAL300013650649	0	59	0.0	-80.37	429.46	10.11	-70.26
O=C([O-])C1CN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013650650	0	52	0.0	-68.36	393.33	9.16	-59.20
O=C([O-])C1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013650651	0	55	0.0	-75.56	408.22	9.96	-65.60
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=CC(C[NH+]3CCCCCC3)=C1)C2	REAL300013650652	0	56	0.0	-78.42	423.33	9.68	-68.74
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300013650653	0	57	0.0	-71.15	426.36	9.42	-61.73
O=C([O-])C[NH+]1CCC(NC(=O)NCCCOC2CCCC2)CC1	REAL300013650752	1	52	0.0	-36.04	394.55	6.12	-29.92
O=C([O-])C1CCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CC1	REAL300013650788	0	52	0.0	-75.20	399.82	9.88	-65.32
O=C([O-])C1=CC=C(CNC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C=C1	REAL300013650789	0	52	0.0	-79.41	423.52	9.47	-69.94
O=C([O-])C1CN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCO1	REAL300013650790	0	50	0.0	-82.61	392.58	8.29	-74.32
O=C([O-])C1CCC(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CC1	REAL300013650791	0	55	0.0	-81.89	426.15	9.16	-72.73
O=C([O-])CCCCNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300013650792	0	51	0.0	-79.54	407.25	8.13	-71.41
O=C([O-])C1=CC(CNC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)=CC=C1	REAL300013650793	0	52	0.0	-79.39	423.52	9.45	-69.94
O=C([O-])CCNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300013650794	0	45	0.0	-76.83	364.26	6.56	-70.27
O=C([O-])CCCCCNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300013650795	0	54	0.0	-77.89	428.75	8.91	-68.98
CC(C)(CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300013650796	0	51	0.0	-80.14	399.69	8.01	-72.13
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300013650797	0	52	0.0	-79.13	406.61	9.42	-69.71
CC1CC(C(=O)[O-])CN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300013650798	0	55	0.0	-62.93	420.60	10.41	-52.52
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CC1	REAL300013650799	0	55	0.0	-78.39	413.65	10.15	-68.24
O=C([O-])CCCNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300013650800	0	48	0.0	-73.90	385.75	7.35	-66.55
CC1CCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CC1C(=O)[O-]	REAL300013650801	0	55	0.0	-60.55	415.71	10.35	-50.20
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCOCC1	REAL300013650802	0	56	0.0	-66.71	426.82	7.34	-59.37
CC(C)(CCNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300013650803	0	54	0.0	-74.71	418.46	8.22	-66.49
CCC(CC)(CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300013650804	0	57	0.0	-69.35	431.35	9.03	-60.32
CC(CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300013650805	0	48	0.0	-77.87	381.93	7.30	-70.57
CC(C)C(CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300013650806	0	54	0.0	-70.18	421.54	8.50	-61.68
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300013650807	0	52	0.0	-71.10	407.11	8.62	-62.48
O=C([O-])CCC1CCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CC1	REAL300013650808	0	58	0.0	-78.82	440.68	11.37	-67.45
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1CC[NH+](CC3=CC=CS3)CC1)C2	REAL300013650809	0	54	0.0	-77.03	416.61	8.15	-68.88
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCCC1	REAL300013650810	0	55	0.0	-68.62	424.62	9.48	-59.14
CC1CN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCC1C(=O)[O-]	REAL300013650811	0	55	0.0	-75.94	412.90	10.57	-65.37
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCC1	REAL300013650812	0	52	0.0	-66.70	407.11	8.57	-58.13
O=C([O-])CC(CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C1CC1	REAL300013650813	0	55	0.0	-79.11	431.26	9.34	-69.77
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CC1	REAL300013650814	0	55	0.0	-78.39	413.65	10.15	-68.24
CC(C)C[C@H](CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)CC(=O)[O-]	REAL300013650815	0	60	0.0	-76.36	452.28	9.73	-66.63
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300013650816	0	52	0.0	-74.80	417.13	9.59	-65.21
COCC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300013650817	0	56	0.0	-81.06	437.48	8.53	-72.53
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300013650818	0	49	0.0	-74.38	390.85	7.95	-66.43
O=C([O-])CN1CCC(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CC1	REAL300013650819	0	57	0.0	-76.61	439.26	7.01	-69.60
O=C([O-])[C@@H]1CCCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300013650820	0	52	0.0	-82.72	400.16	9.89	-72.83
O=C([O-])[C@H]1CCCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300013650821	0	52	0.0	-63.94	401.36	9.95	-53.99
O=C([O-])C1CC(NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300013650822	0	49	0.0	-74.25	391.24	8.00	-66.25
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300013650823	0	49	0.0	-76.04	390.73	7.98	-68.06
O=C([O-])C1=CC(CNC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)=CC=C1	REAL300013650824	0	52	0.0	-79.39	423.52	9.45	-69.94
CCC(CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300013650825	0	51	0.0	-69.60	404.76	8.02	-61.58
O=C([O-])CCC1CCCCN1C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300013650826	0	58	0.0	-86.29	434.00	11.29	-75.00
O=C([O-])CCCCCCCNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300013650827	0	60	0.0	-79.93	471.75	10.48	-69.45
O=C([O-])CCCCCCNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300013650828	0	57	0.0	-81.01	450.25	9.69	-71.32
CN(CCCC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300013650829	0	51	0.0	-80.06	403.38	9.76	-70.30
CC1(C(=O)[O-])CCCN(C(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300013650830	0	55	0.0	-83.97	415.48	10.58	-73.39
COCCN(CCC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300013650831	0	55	0.0	-63.16	434.69	9.13	-54.03
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CC[NH+]1CCN(C2=CC(CNC(=O)NCC3(C(=O)[O-])CCCC3)=CC=N2)CC1	REAL300013651170	0	59	0.0	-66.96	443.95	7.67	-59.29
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C(=O)[O-])C(C)C3)=CC=N2)CC1	REAL300013651171	0	59	0.0	-68.47	432.57	8.83	-59.64
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CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=N2)CC1	REAL300013651177	0	56	0.0	-62.62	420.15	8.12	-54.50
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=N2)CC1	REAL300013651178	0	56	0.0	-60.75	420.16	8.10	-52.65
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CC[NH+]1CCN(C2=CC(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)=CC=N2)CC1	REAL300013651181	0	56	0.0	-75.62	443.26	7.71	-67.91
CCC(CNC(=O)NCC1=CC=NC(N2CC[NH+](CC)CC2)=C1)C(=O)[O-]	REAL300013651182	0	55	0.0	-68.22	419.48	6.39	-61.83
CC[NH+]1CCN(C2=CC(CNC(=O)NCCCCCCC(=O)[O-])=CC=N2)CC1	REAL300013651183	0	61	0.0	-77.63	469.99	7.96	-69.67
CC[NH+]1CCN(C2=CC(CNC(=O)N(C)CCCC(=O)[O-])=CC=N2)CC1	REAL300013651184	0	55	0.0	-78.24	423.12	8.02	-70.22
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CC[NH+]1CCN(C2=CC(CNC(=O)N3CCC(CC(=O)[O-])CC3)=CC=N2)CC1	REAL300013651191	0	59	0.0	-68.49	437.69	8.79	-59.70
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=CC=N2)CC1	REAL300013651192	0	59	0.0	-73.38	445.39	7.37	-66.01
CC[NH+]1CCN(C2=CC(CNC(=O)NC3CCCC(C(=O)[O-])C3)=CC=N2)CC1	REAL300013651193	0	59	0.0	-68.54	441.46	7.83	-60.71
CC[NH+]1CCN(C2=CC(CNC(=O)NCC3(C(=O)[O-])CCOC3)=CC=N2)CC1	REAL300013651194	0	57	0.0	-68.96	432.61	4.95	-64.01
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=N2)CC1	REAL300013651195	0	54	0.0	-74.13	421.62	6.87	-67.26
CC[NH+]1CCN(C2=CC(CNC(=O)NCC3(C(=O)[O-])CC3)=CC=N2)CC1	REAL300013651196	0	53	0.0	-64.80	411.14	6.55	-58.25
CC[NH+]1CCN(C2=CC(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)=CC=N2)CC1	REAL300013651197	0	57	0.0	-78.70	427.86	7.35	-71.35
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CC[NH+]1CCN(C2=CC(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=N2)CC1	REAL300013651200	0	54	0.0	-77.76	420.85	6.88	-70.88
CC[NH+]1CCN(C2=CC(CNC(=O)NC(C)CCC(=O)[O-])=CC=N2)CC1	REAL300013651201	0	55	0.0	-68.67	425.25	6.63	-62.04
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CC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)C1	REAL300013651211	0	52	0.0	-74.74	404.17	9.56	-65.18
CC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)C1	REAL300013651211	1	52	0.0	-78.25	397.25	9.49	-68.76
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CC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)CC1	REAL300013651213	0	55	0.0	-74.04	406.01	10.10	-63.94
CC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)CC1	REAL300013651213	1	55	0.0	-74.00	406.51	10.16	-63.84
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CC(CCC(=O)[O-])NC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300013651267	1	51	0.0	-69.72	405.86	8.43	-61.29
CCOC1=C(OC)C=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1OC	REAL300013651299	1	57	0.0	-40.94	446.90	6.33	-34.61
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COC1=C(C)C=NC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C	REAL300013651483	1	51	0.0	-37.48	397.76	5.13	-32.35
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CCC[NH+]1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013651536	0	51	0.0	-77.18	378.53	7.19	-69.99
CCC[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013651537	0	48	0.0	-76.78	375.45	7.48	-69.30
CCC[NH+]1CCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013651538	0	58	0.0	-73.92	424.81	11.21	-62.71
CCC[NH+]1CCC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013651539	0	51	0.0	-61.35	369.03	8.72	-52.63
CCC[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013651540	0	51	0.0	-75.19	365.38	8.19	-67.00
CCC[NH+]1CCC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013651541	0	51	0.0	-77.76	362.03	8.08	-69.68
CCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013651542	0	52	0.0	-63.94	378.76	5.37	-58.57
CCC[NH+]1CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013651543	0	53	0.0	-66.49	383.28	7.07	-59.42
CCC[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013651544	0	57	0.0	-76.92	414.98	8.49	-68.43
CCC[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013651545	0	54	0.0	-67.27	407.02	8.73	-58.54
CCC[NH+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013651546	0	54	0.0	-75.04	392.74	9.32	-65.72
CCC[NH+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013651547	0	50	0.0	-74.83	369.67	6.03	-68.80
CCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013651548	0	51	0.0	-64.34	376.14	7.44	-56.90
CCC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013651549	0	51	0.0	-71.24	364.68	8.59	-62.65
CCC[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013651550	0	51	0.0	-72.61	383.65	7.39	-65.22
CCC[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013651551	0	51	0.0	-75.19	365.38	8.19	-67.00
CCC[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013651552	0	56	0.0	-68.53	409.50	7.94	-60.59
CCC[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013651553	0	48	0.0	-70.95	369.06	7.59	-63.36
CCC[NH+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])C2)CC1	REAL300013651554	0	52	0.0	-78.61	389.55	6.71	-71.90
CCC[NH+]1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013651555	0	53	0.0	-73.04	391.18	5.01	-68.03
CCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)CC1	REAL300013651556	0	58	0.0	-80.35	435.38	9.17	-71.18
CCC[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013651557	0	48	0.0	-76.78	375.45	7.48	-69.30
CCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)CC1	REAL300013651558	0	58	0.0	-70.61	435.98	9.36	-61.25
CCC[NH+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013651559	0	54	0.0	-78.76	385.46	9.25	-69.51
CCC[NH+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013651560	0	56	0.0	-75.99	423.69	8.51	-67.48
CCC[NH+]1CCC(NC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013651561	0	53	0.0	-76.70	402.19	7.73	-68.97
CCC[NH+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013651562	0	51	0.0	-78.61	367.08	8.62	-69.99
CCC[NH+]1CCC(NC(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300013651563	0	55	0.0	-82.50	399.22	7.75	-74.75
CCC[NH+]1CCC(NC(=O)N(CCOC)CCC(=O)[O-])CC1	REAL300013651564	0	51	0.0	-60.68	387.01	7.13	-53.55
CCC[NH+]1CCC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)CC1	REAL300013651565	0	57	0.0	-79.91	425.47	9.32	-70.59
CCC[NH+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013651566	0	54	0.0	-77.32	392.58	9.29	-68.03
CCC[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013651567	0	52	0.0	-77.04	386.06	10.39	-66.65
CCC[NH+]1CCC(NC(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)CC1	REAL300013651568	0	59	0.0	-75.78	440.36	8.48	-67.30
CCC[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013651569	0	49	0.0	-68.89	365.06	6.66	-62.23
CCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013651570	0	51	0.0	-62.28	368.87	8.47	-53.81
CCC[NH+]1CCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013651571	0	55	0.0	-67.50	414.92	10.45	-57.05
CCC[NH+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013651572	0	49	0.0	-75.24	362.25	5.43	-69.81
CCC[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013651573	0	52	0.0	-72.90	393.65	8.48	-64.42
CCC[NH+]1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013651574	0	55	0.0	-84.10	404.21	7.71	-76.39
CCC[NH+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300013651575	0	55	0.0	-78.53	397.38	7.31	-71.22
CCC[NH+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013651576	0	57	0.0	-70.19	399.08	8.16	-62.03
CCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013651577	0	51	0.0	-68.73	372.78	7.56	-61.17
CCC[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013651578	0	54	0.0	-75.39	396.97	7.90	-67.49
CCC[NH+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013651579	0	51	0.0	-74.92	370.43	8.54	-66.38
CCC[NH+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013651580	0	52	0.0	-75.48	387.00	7.95	-67.53
CCC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013651581	0	51	0.0	-72.05	378.01	7.17	-64.88
CCC[NH+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013651582	0	51	0.0	-69.49	373.65	7.59	-61.90
CCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013651583	0	52	0.0	-62.68	380.02	5.75	-56.93
CCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013651584	0	49	0.0	-64.41	364.82	4.72	-59.69
CCC[NH+]1CCC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013651585	0	60	0.0	-75.87	450.53	9.88	-65.99
CCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013651586	0	52	0.0	-66.56	379.93	8.65	-57.91
CCC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013651587	0	48	0.0	-68.02	371.61	7.69	-60.33
CCC[NH+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013651588	0	49	0.0	-78.85	360.58	7.12	-71.73
CCC[NH+]1CCC(NC(=O)N2CC(OC)CC(C(=O)[O-])C2)CC1	REAL300013651589	0	52	0.0	-62.33	385.51	6.88	-55.45
CCC[NH+]1CCC(NC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)CC1	REAL300013651590	0	57	0.0	-83.95	430.78	6.42	-77.53
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3=C(O)C=CC=C32)CC1	REAL300013651619	1	47	0.0	-38.59	367.43	4.70	-33.89
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2=NN=C3CCCCCN23)CC1	REAL300013651692	1	57	0.0	-49.18	426.35	8.03	-41.15
COC(C)(C)CC(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013651752	1	51	0.0	-34.51	374.87	5.67	-28.84
CC(=O)NCC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013651820	1	52	0.0	-41.13	415.03	5.28	-35.85
CSC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCOCC1	REAL300013651962	1	50	0.0	-35.90	375.84	5.08	-30.82
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3CCCC3C2)CC1	REAL300013652095	1	52	0.0	-34.64	375.18	7.93	-26.71
CC1CC1C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013652163	1	52	0.0	-39.46	413.34	9.60	-29.86
CC1=CC=CC(OC(C)CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013652252	1	52	0.0	-36.40	401.83	7.16	-29.24
CC1=CN=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013652353	1	41	0.0	-37.02	339.84	4.20	-32.82
COC1=CC=C(C2=CC=C(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2)C=C1	REAL300013652410	1	56	0.0	-42.20	436.80	8.98	-33.22
CSC1CCCC1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013652465	1	46	0.0	-34.30	356.64	6.64	-27.66
CC1=CC=C(N2CCCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=O)C=C1	REAL300013652532	1	56	0.0	-44.82	432.40	8.15	-36.67
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC1=CC=CC(F)=C1	REAL300013652597	1	49	0.0	-37.59	386.84	6.55	-31.04
CC1=CC(C)=CC(CC(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013652670	1	54	0.0	-41.88	415.74	9.38	-32.50
COC1=NC2=CC=CC=C2C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013652747	1	51	0.0	-38.52	403.04	4.96	-33.56
CC1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(=O)N1C1=CC=CC=C1	REAL300013652821	1	53	0.0	-46.18	406.62	7.36	-38.82
COC1=CC=CC(OC(C)CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013652894	1	53	0.0	-37.35	409.91	5.78	-31.57
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC1=CC=CC(Cl)=C1	REAL300013652970	1	49	0.0	-36.94	397.16	7.00	-29.94
CN1C=CC(N2CCCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=O)=N1	REAL300013653045	1	53	0.0	-52.19	408.76	6.33	-45.86
CC1=CC=C(N2CCCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2)C=C1	REAL300013653118	1	57	0.0	-37.20	425.28	7.54	-29.66
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC1=CC=CC=C1Cl	REAL300013653192	1	49	0.0	-37.13	396.45	7.04	-30.09
CC1=CC=CC=C1OC(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013653265	1	52	0.0	-39.95	400.34	7.23	-32.72
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CNC3=CC=C(Cl)C=C23)CC1	REAL300013653341	1	49	0.0	-44.41	403.36	7.62	-36.79
CC1=CC=C(OC(C)CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013653412	1	52	0.0	-36.74	401.98	7.10	-29.64
CC1=CC=CC(F)=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013653516	1	45	0.0	-36.59	355.46	6.81	-29.78
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC1=CC=CC=C1F	REAL300013653583	1	49	0.0	-38.27	386.64	6.55	-31.72
C[NH+](C)C1CCCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013653625	0	48	0.0	-78.74	366.71	7.68	-71.06
C[NH+](C)C1CCCC(NC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013653626	0	51	0.0	-69.53	368.03	7.32	-62.21
C[NH+](C)C1CCCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013653627	0	48	0.0	-77.53	371.16	7.26	-70.27
C[NH+](C)C1CCCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C1	REAL300013653628	0	58	0.0	-81.09	420.79	11.54	-69.55
CC1CC(C(=O)[O-])CN(C(=O)NC2CCCC([NH+](C)C)C2)C1	REAL300013653629	0	51	0.0	-62.31	363.50	8.46	-53.85
C[NH+](C)C1CCCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013653630	0	51	0.0	-78.57	360.50	7.87	-70.70
CC1CCN(C(=O)NC2CCCC([NH+](C)C)C2)CC1C(=O)[O-]	REAL300013653631	0	51	0.0	-63.34	357.63	7.86	-55.48
C[NH+](C)C1CCCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013653632	0	52	0.0	-70.12	373.48	5.32	-64.80
CCC(CC)(CNC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300013653633	0	53	0.0	-67.02	369.84	7.43	-59.59
CC(NC(=O)NC1CCCC([NH+](C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013653634	0	57	0.0	-83.76	401.75	8.12	-75.64
C[NH+](C)C1CCCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013653635	0	54	0.0	-69.78	397.83	8.90	-60.88
C[NH+](C)C1CCCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013653636	0	54	0.0	-76.11	383.35	9.45	-66.66
C[NH+](C)C1CCCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013653637	0	50	0.0	-76.57	365.24	5.81	-70.76
C[NH+](C)C1CCCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013653638	0	51	0.0	-66.17	367.41	7.63	-58.54
CC1CN(C(=O)NC2CCCC([NH+](C)C)C2)CCC1C(=O)[O-]	REAL300013653639	0	51	0.0	-72.95	360.44	8.37	-64.58
C[NH+](C)C1CCCC(NC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013653640	0	51	0.0	-76.98	378.91	7.16	-69.82
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C[NH+](C)C1CCCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013653643	0	48	0.0	-72.37	360.36	7.77	-64.60
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COC(=O)C1CC2(C1)CN(C(=O)NC1CCCC([NH+](C)C)C1)CC2C(=O)[O-]	REAL300013653648	0	58	0.0	-65.57	426.82	8.94	-56.63
C[NH+](C)C1CCCC(NC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013653649	0	54	0.0	-88.64	377.28	9.44	-79.20
C[NH+](C)C1CCCC(NC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013653650	0	56	0.0	-80.19	414.95	8.70	-71.49
C[NH+](C)C1CCCC(NC(=O)NCCCCCCC(=O)[O-])C1	REAL300013653651	0	53	0.0	-81.66	393.45	7.92	-73.74
C[NH+](C)C1CCCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013653652	0	51	0.0	-85.56	358.22	8.81	-76.75
COCC1(C(=O)[O-])CCCN(C(=O)NC2CCCC([NH+](C)C)C2)C1	REAL300013653653	0	55	0.0	-89.46	390.36	7.94	-81.52
COCCN(CCC(=O)[O-])C(=O)NC1CCCC([NH+](C)C)C1	REAL300013653654	0	51	0.0	-56.70	378.27	7.31	-49.39
C[NH+](C)C1CCCC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C1	REAL300013653655	0	57	0.0	-84.12	418.16	9.70	-74.42
C[NH+](C)C1CCCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013653656	0	54	0.0	-84.70	383.70	9.47	-75.23
C[NH+](C)C1CCCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013653657	0	52	0.0	-86.25	375.98	10.80	-75.45
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2CCCC([NH+](C)C)C2)CCO1	REAL300013653658	0	59	0.0	-79.25	437.54	7.26	-71.99
C[NH+](C)C1CCCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013653659	0	49	0.0	-71.33	360.38	6.41	-64.92
CC1CCC(C(=O)[O-])CN1C(=O)NC1CCCC([NH+](C)C)C1	REAL300013653660	0	51	0.0	-60.51	359.34	8.60	-51.91
C[NH+](C)C1CCCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013653661	0	55	0.0	-69.57	410.41	10.15	-59.42
C[NH+](C)C1CCCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013653662	0	49	0.0	-81.65	352.98	5.60	-76.05
C[NH+](C)C1CCCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013653663	0	52	0.0	-76.92	389.40	8.90	-68.02
C[NH+](C)C1CCCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013653664	0	55	0.0	-88.71	402.61	7.11	-81.60
COCC1(C(=O)[O-])CCN(C(=O)NC2CCCC([NH+](C)C)C2)CC1	REAL300013653665	0	55	0.0	-82.27	392.69	7.05	-75.22
C[NH+](C)C1CCCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013653666	0	57	0.0	-72.46	394.79	7.93	-64.53
C[NH+](C)C1CCCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013653667	0	51	0.0	-69.65	369.35	7.38	-62.27
C[NH+](C)C1CCCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013653668	0	54	0.0	-79.39	389.10	8.10	-71.29
C[NH+](C)C1CCCC(NC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013653669	0	51	0.0	-68.82	361.04	8.67	-60.15
C[NH+](C)C1CCCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013653670	0	52	0.0	-77.74	377.64	8.08	-69.66
C[NH+](C)C1CCCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013653671	0	51	0.0	-75.48	368.82	7.33	-68.15
C[NH+](C)C1CCCC(NC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013653672	0	51	0.0	-71.02	364.91	7.79	-63.23
C[NH+](C)C1CCCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013653673	0	52	0.0	-71.36	374.15	6.21	-65.15
C[NH+](C)C1CCCC(NC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013653674	0	49	0.0	-67.46	356.09	4.91	-62.55
C[NH+](C)C1CCCC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C1	REAL300013653675	0	60	0.0	-78.95	441.34	10.06	-68.89
C[NH+](C)C1CCCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013653676	0	52	0.0	-68.84	376.87	8.48	-60.36
C[NH+](C)C1CCCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013653677	0	48	0.0	-73.94	362.89	7.89	-66.05
C[NH+](C)C1CCCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013653678	0	49	0.0	-84.91	351.25	7.30	-77.61
COC1CC(C(=O)[O-])CN(C(=O)NC2CCCC([NH+](C)C)C2)C1	REAL300013653679	0	52	0.0	-64.03	380.61	6.66	-57.37
C[NH+](C)C1CCCC(NC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C1	REAL300013653680	0	57	0.0	-86.01	426.34	6.19	-79.82
O=C([O-])C1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CC1	REAL300013653681	0	56	0.0	-74.98	416.26	7.43	-67.55
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C=C1	REAL300013653682	0	56	0.0	-76.34	437.28	7.81	-68.53
O=C([O-])C1CN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCO1	REAL300013653683	0	54	0.0	-62.48	407.37	5.81	-56.67
O=C([O-])C1CCC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CC1	REAL300013653684	0	59	0.0	-69.28	434.17	7.87	-61.41
O=C([O-])CCCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300013653685	0	55	0.0	-74.02	421.02	6.49	-67.53
O=C([O-])C1=CC(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)=CC=C1	REAL300013653686	0	56	0.0	-78.14	437.29	7.80	-70.34
O=C([O-])CCNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300013653687	0	49	0.0	-70.02	378.02	4.91	-65.11
O=C([O-])CCCCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300013653688	0	58	0.0	-73.13	442.52	7.27	-65.86
CC(C)(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300013653689	0	55	0.0	-73.27	413.46	6.36	-66.91
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300013653690	0	56	0.0	-71.56	414.96	7.68	-63.88
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300013653691	0	59	0.0	-57.02	429.27	9.20	-47.82
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CC1	REAL300013653692	0	59	0.0	-73.07	427.02	8.67	-64.40
O=C([O-])CCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300013653693	0	52	0.0	-68.63	399.52	5.71	-62.92
CC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CC1C(=O)[O-]	REAL300013653694	0	59	0.0	-72.89	428.99	8.79	-64.10
CC(C)(CCNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300013653695	0	58	0.0	-69.79	432.81	6.59	-63.20
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300013653696	0	61	0.0	-55.68	438.25	7.44	-48.24
CC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300013653697	0	52	0.0	-71.57	395.69	5.64	-65.93
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300013653698	0	58	0.0	-60.97	435.31	6.84	-54.13
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300013653699	0	56	0.0	-65.85	423.47	6.32	-59.53
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCCC1	REAL300013653700	0	59	0.0	-65.24	437.98	7.76	-57.48
CC1CN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCC1C(=O)[O-]	REAL300013653701	0	59	0.0	-65.79	427.45	8.08	-57.71
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCC1	REAL300013653702	0	56	0.0	-63.17	420.00	7.05	-56.12
O=C([O-])CC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1CC1	REAL300013653703	0	59	0.0	-69.01	445.55	7.74	-61.27
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CC1	REAL300013653704	0	59	0.0	-73.07	427.02	8.67	-64.40
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300013653705	0	56	0.0	-71.66	430.89	7.91	-63.75
O=C(NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013653706	0	53	0.0	-66.82	407.21	5.63	-61.19
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300013653707	0	56	0.0	-60.24	416.31	7.39	-52.85
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300013653708	0	56	0.0	-74.96	412.45	8.20	-66.76
O=C([O-])C1CC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300013653709	0	53	0.0	-69.37	405.20	6.37	-63.00
O=C(NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013653710	0	53	0.0	-69.54	405.05	6.41	-63.13
O=C([O-])C1=CC(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)=CC=C1	REAL300013653711	0	56	0.0	-78.14	437.29	7.80	-70.34
CCC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300013653712	0	55	0.0	-56.89	412.00	6.38	-50.51
O=C([O-])CCCCCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300013653713	0	61	0.0	-76.10	464.02	8.05	-68.05
CN(CCCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300013653714	0	55	0.0	-68.68	416.98	8.09	-60.59
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300013653715	0	59	0.0	-75.49	428.79	8.99	-66.50
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300013653716	0	59	0.0	-59.28	448.60	7.45	-51.83
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300013653717	0	59	0.0	-56.26	431.62	7.95	-48.31
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300013653718	0	57	0.0	-72.99	424.72	4.92	-68.07
O=C([O-])C12CC(NC(=O)NCC3=CC=CC=C3C[NH+]3CCC(O)CC3)(C1)C2	REAL300013653719	0	54	0.0	-74.79	414.91	6.60	-68.19
O=C(NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013653720	0	59	0.0	-68.35	434.41	7.97	-60.38
O=C([O-])CC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CC1	REAL300013653721	0	59	0.0	-65.01	431.30	9.05	-55.96
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300013653722	0	59	0.0	-72.26	442.49	6.85	-65.41
O=C([O-])C1CCCC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300013653723	0	59	0.0	-67.11	435.48	7.92	-59.19
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCOC1	REAL300013653724	0	57	0.0	-57.88	425.68	5.01	-52.87
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C2	REAL300013653725	0	54	0.0	-70.91	418.94	6.35	-64.56
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CC1	REAL300013653726	0	53	0.0	-61.13	405.17	6.64	-54.49
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCO1	REAL300013653727	0	57	0.0	-75.47	421.87	7.49	-67.98
O=C([O-])C1CN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300013653728	0	50	0.0	-62.33	385.29	6.56	-55.77
O=C([O-])C1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300013653729	0	53	0.0	-71.13	398.54	7.17	-63.96
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C2	REAL300013653730	0	54	0.0	-73.92	417.91	6.38	-67.54
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300013653731	0	55	0.0	-68.74	419.28	6.71	-62.03
O=C([O-])C[NH+]1CCC(NC(=O)NCC(CC2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300013653763	1	58	0.0	-40.70	449.11	11.14	-29.56
CCOC1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1(CC)CC	REAL300013653847	1	58	0.0	-34.80	416.00	7.67	-27.13
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)S(C)(=O)=O	REAL300013653917	1	47	0.0	-43.43	363.08	2.48	-40.95
O=C([O-])C[NH+]1CCC(NC(=O)NCC2SCCC3=CC=CC=C32)CC1	REAL300013653989	1	50	0.0	-36.82	389.75	8.44	-28.38
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC([N+](=O)[O-])=C1	REAL300013654064	1	50	0.0	-41.89	392.29	8.13	-33.76
CC(CC1=CC=NC=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013654127	1	47	0.0	-43.32	367.58	6.25	-37.07
CC1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300013654195	1	50	0.0	-42.18	394.24	8.25	-33.93
CC(C)C1OCCCC1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013654268	1	55	0.0	-37.07	396.85	6.17	-30.90
CCC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC1=CC=CC(C)=C1	REAL300013654342	1	55	0.0	-36.89	417.48	7.70	-29.19
CC1=CC=CC(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)(C)C)=C1	REAL300013654417	1	57	0.0	-34.89	415.64	9.17	-25.72
CC1=CC(N2CCC(NC(=O)N3CCC(C(=O)[O-])CC3)CC2)=NC(C)=[NH+]1	REAL300013654460	1	53	0.0	-68.69	401.28	7.71	-60.98
CC1=CC(N2CCC(NC(=O)NCC3=CC=C(C(=O)[O-])C=C3)CC2)=NC(C)=[NH+]1	REAL300013654461	1	53	0.0	-71.62	425.45	7.35	-64.27
CC1=CC(N2CCC(NC(=O)N3CCOC(C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654462	1	51	0.0	-71.97	394.38	6.16	-65.81
CC1=CC(N2CCC(NC(=O)NC3CCC(C(=O)[O-])CC3)CC2)=NC(C)=[NH+]1	REAL300013654463	1	56	0.0	-65.97	422.33	7.41	-58.56
CC1=CC(N2CCC(NC(=O)NCCCCC(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013654464	1	52	0.0	-69.94	409.18	6.02	-63.92
CC1=CC(N2CCC(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)CC2)=NC(C)=[NH+]1	REAL300013654465	1	53	0.0	-72.68	425.45	7.34	-65.34
CC1=CC(N2CCC(NC(=O)NCCC(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013654466	1	46	0.0	-67.59	366.18	4.45	-63.14
CC1=CC(N2CCC(NC(=O)NCCCCCC(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013654467	1	55	0.0	-69.25	430.68	6.80	-62.45
CC1=CC(N2CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013654468	1	52	0.0	-70.21	401.62	5.90	-64.31
CC1=CC(N2CCC(NC(=O)N3CCC(C)(C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654469	1	53	0.0	-72.17	405.68	7.35	-64.82
CC1=CC(N2CCC(NC(=O)N3CC(C)CC(C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654470	1	56	0.0	-72.21	423.76	8.33	-63.88
CC1=CC(N2CCC(NC(=O)N3CCC(C)(C(=O)[O-])CC3)CC2)=NC(C)=[NH+]1	REAL300013654471	1	56	0.0	-68.84	414.89	7.95	-60.89
CC1=CC(N2CCC(NC(=O)NCCCC(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013654472	1	49	0.0	-65.89	387.68	5.24	-60.65
CC1=CC(N2CCC(NC(=O)N3CCC(C)C(C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654473	1	56	0.0	-71.57	417.52	8.17	-63.40
CC1=CC(N2CCC(NC(=O)NCC3(C(=O)[O-])CCOCC3)CC2)=NC(C)=[NH+]1	REAL300013654474	1	57	0.0	-63.90	427.77	5.41	-58.49
CC1=CC(N2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013654475	1	55	0.0	-66.96	420.38	6.12	-60.84
CCC(CC)(CNC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300013654476	1	58	0.0	-61.04	428.57	7.09	-53.95
CC1=CC(N2CCC(NC(=O)NCC(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013654477	1	49	0.0	-68.51	383.85	5.19	-63.32
CC1=CC(N2CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC2)=NC(C)=[NH+]1	REAL300013654478	1	55	0.0	-64.99	423.47	6.40	-58.59
CC1=CC(N2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654479	1	53	0.0	-66.13	408.56	6.39	-59.74
CC1=CC(N2CCC(NC(=O)N3CCC(CCC(=O)[O-])CC3)CC2)=NC(C)=[NH+]1	REAL300013654480	1	59	0.0	-69.78	442.13	9.19	-60.59
CC1=CC(N2CCC(NC(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654481	1	55	0.0	-67.35	418.88	6.01	-61.34
CC1=CC(N2CCC(NC(=O)NCC3(C(=O)[O-])CCCC3)CC2)=NC(C)=[NH+]1	REAL300013654482	1	56	0.0	-64.21	426.14	7.29	-56.92
CC1=CC(N2CCC(NC(=O)N3CCC(C(=O)[O-])C(C)C3)CC2)=NC(C)=[NH+]1	REAL300013654483	1	56	0.0	-66.32	414.69	8.45	-57.87
CC1=CC(N2CCC(NC(=O)NCC3(C(=O)[O-])CCC3)CC2)=NC(C)=[NH+]1	REAL300013654484	1	53	0.0	-62.50	409.07	6.45	-56.05
CC1=CC(N2CCC(NC(=O)NCC(CC(=O)[O-])C3CC3)CC2)=NC(C)=[NH+]1	REAL300013654485	1	56	0.0	-69.13	433.19	7.23	-61.90
CC1=CC(N2CCC(NC(=O)N3CCC(C)(C(=O)[O-])CC3)CC2)=NC(C)=[NH+]1	REAL300013654486	1	56	0.0	-68.84	414.89	7.95	-60.89
CC1=CC(N2CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)=NC(C)=[NH+]1	REAL300013654487	1	61	0.0	-67.25	454.20	7.62	-59.63
CC1=CC(N2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013654488	1	53	0.0	-69.86	419.07	7.45	-62.41
COCC1(C(=O)[O-])CCN(C(=O)NC2CCN(C3=CC(C)=[NH+]C(C)=N3)CC2)C1	REAL300013654489	1	57	0.0	-72.09	439.40	6.40	-65.69
CC1=CC(N2CCC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654490	1	50	0.0	-66.34	392.78	5.80	-60.54
CC1=CC(N2CCC(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654492	1	53	0.0	-59.95	401.71	7.69	-52.26
CC1=CC(N2CCC(NC(=O)N3CCC[C@H](C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654493	1	53	0.0	-74.64	402.12	7.74	-66.90
CC1=CC(N2CCC(NC(=O)NC3CC(C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654494	1	50	0.0	-66.28	393.15	5.80	-60.48
CC1=CC(N2CCC(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654495	1	50	0.0	-67.96	393.05	5.85	-62.11
CC1=CC(N2CCC(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)CC2)=NC(C)=[NH+]1	REAL300013654496	1	53	0.0	-72.68	425.45	7.34	-65.34
CCC(CNC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300013654497	1	52	0.0	-62.67	401.76	6.13	-56.54
CC1=CC(N2CCC(NC(=O)N3CCCCC3CCC(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013654498	1	59	0.0	-78.16	435.63	9.09	-69.07
CC1=CC(N2CCC(NC(=O)NCCCCCCCC(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013654499	1	61	0.0	-70.84	473.68	8.37	-62.47
CC1=CC(N2CCC(NC(=O)NCCCCCCC(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013654500	1	58	0.0	-71.35	452.18	7.59	-63.76
CC1=CC(N2CCC(NC(=O)N(C)CCCC(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013654501	1	52	0.0	-71.16	405.31	7.63	-63.53
CC1=CC(N2CCC(NC(=O)N3CCCC(C)(C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654502	1	56	0.0	-72.53	417.09	8.47	-64.06
COCCN(CCC(=O)[O-])C(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1	REAL300013654503	1	56	0.0	-60.58	437.00	6.98	-53.60
CC1=CC(N2CCC(NC(=O)N3CCCC(CCC(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654504	1	59	0.0	-71.62	442.48	9.18	-62.44
CC1=CC(N2CCC(NC(=O)N3CCN(C(=O)C(=O)[O-])CC3)CC2)=NC(C)=[NH+]1	REAL300013654505	1	54	0.0	-63.76	414.77	6.49	-57.27
CC1=CC(N2CCC(NC(=O)N3CC(C(=O)[O-])CCC3C)CC2)=NC(C)=[NH+]1	REAL300013654506	1	56	0.0	-59.95	417.65	8.26	-51.69
CC1=CC(N2CCC(NC(=O)N3CCCC(O)(C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654507	1	54	0.0	-69.97	411.84	5.27	-64.70
CC1=CC(N2CCC(NC(=O)NC34CC(C(=O)[O-])(C3)C4)CC2)=NC(C)=[NH+]1	REAL300013654508	1	51	0.0	-71.24	402.90	6.03	-65.21
CC1=CC(N2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)CC2)=NC(C)=[NH+]1	REAL300013654509	1	56	0.0	-65.07	423.65	7.46	-57.61
CC1=CC(N2CCC(NC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)CC2)=NC(C)=[NH+]1	REAL300013654510	1	59	0.0	-71.10	447.82	7.76	-63.34
CC1=CC(N2CCC(NC(=O)N3CCC(CC(=O)[O-])CC3)CC2)=NC(C)=[NH+]1	REAL300013654511	1	56	0.0	-64.59	419.82	8.41	-56.18
CC1=CC(N2CCC(NC(=O)N3CCC(OCC(=O)[O-])CC3)CC2)=NC(C)=[NH+]1	REAL300013654512	1	57	0.0	-71.76	436.35	7.80	-63.96
CC1=CC(N2CCC(NC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654513	1	56	0.0	-69.23	428.08	7.02	-62.21
CC1=CC(N2CCC(NC(=O)NC3CCCC(C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654514	1	56	0.0	-67.55	427.56	7.01	-60.54
CC1=CC(N2CCC(NC(=O)NCC3(C(=O)[O-])CCCOC3)CC2)=NC(C)=[NH+]1	REAL300013654515	1	57	0.0	-62.35	430.02	5.60	-56.75
CC1=CC(N2CCC(NC(=O)NCC3(C(=O)[O-])CCOC3)CC2)=NC(C)=[NH+]1	REAL300013654516	1	54	0.0	-62.02	414.83	4.58	-57.44
CC1=CC(N2CCC(NC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)CC2)=NC(C)=[NH+]1	REAL300013654517	1	51	0.0	-68.28	404.30	6.53	-61.75
CC1=CC(N2CCC(NC(=O)NCC3(C(=O)[O-])CC3)CC2)=NC(C)=[NH+]1	REAL300013654518	1	50	0.0	-61.48	393.33	6.18	-55.30
CC1=CC(N2CCC(NC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)CC2)=NC(C)=[NH+]1	REAL300013654519	1	57	0.0	-63.63	431.16	8.57	-55.06
CC1=CC(N2CCC(NC(=O)N3CCOC(C)(C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654520	1	54	0.0	-72.74	409.99	6.97	-65.77
CC1=CC(N2CCC(NC(=O)N3CC(C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654521	1	47	0.0	-62.82	373.71	6.09	-56.73
COC1CC(C(=O)[O-])CN(C(=O)NC2CCN(C3=CC(C)=[NH+]C(C)=N3)CC2)C1	REAL300013654522	1	57	0.0	-60.44	435.06	6.73	-53.71
CC1=CC(N2CCC(NC(=O)N3CCC(C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013654523	1	50	0.0	-71.00	388.81	6.81	-64.19
CC1=CC(N2CCC(NC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)CC2)=NC(C)=[NH+]1	REAL300013654524	1	51	0.0	-71.17	403.83	6.53	-64.64
CC1=CC(N2CCC(NC(=O)NC(C)CCC(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013654525	1	52	0.0	-64.29	407.44	6.24	-58.05
CCC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC1=CC=CC=C1C	REAL300013654558	1	55	0.0	-40.64	415.50	7.75	-32.89
O=C([O-])C[NH+]1CCC(NC(=O)NC2CC(=O)N(C3CC3)C2)CC1	REAL300013654652	1	47	0.0	-47.51	362.89	5.02	-42.49
CCOC1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C12CCCCC2	REAL300013654720	1	59	0.0	-37.19	424.83	8.33	-28.86
CCOC1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C12CCCCC2	REAL300013654794	1	59	0.0	-37.19	424.83	8.33	-28.86
CC1CC1N1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1=O	REAL300013654864	1	50	0.0	-42.91	383.87	5.65	-37.26
CC(C)(C)N1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1=O	REAL300013654932	1	52	0.0	-42.26	389.81	5.45	-36.81
O=C([O-])C[NH+]1CCC(NC(=O)NCCNS(=O)(=O)CC2=NOC=C2)CC1	REAL300013655002	1	49	0.0	-49.73	407.75	0.58	-49.15
COC1CCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013655113	1	52	0.0	-41.02	385.22	5.79	-35.23
CC1=CN=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013655169	1	44	0.0	-35.43	359.90	5.06	-30.37
CCOC(=O)C1=C(C)N=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013655251	1	50	0.0	-39.00	413.64	5.60	-33.40
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(C3=CC=CC(Cl)=C3)C2=O)CC1	REAL300013655356	1	50	0.0	-43.10	404.64	7.22	-35.88
CCSC1CCCCC1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013655439	1	52	0.0	-34.98	393.40	8.45	-26.53
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NC(CC2=CC=CC=C2)=NO1	REAL300013655515	1	53	0.0	-38.35	426.47	6.26	-32.09
O=C([O-])C[NH+]1CCC(NC(=O)NCCN2C(=O)NC3=CC=CC=C32)CC1	REAL300013655582	1	49	0.0	-47.80	391.22	5.39	-42.41
CC1CC(NC(=O)N2CCC(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655625	0	55	0.0	-75.24	403.39	10.93	-64.31
CC1CC(NC(=O)N2CCC(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655625	1	55	0.0	-72.32	407.37	10.57	-61.75
CC1CC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655626	0	55	0.0	-76.39	426.01	10.52	-65.87
CC1CC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655626	1	55	0.0	-76.49	414.05	10.59	-65.90
CC1CC(NC(=O)N2CCOC(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655627	0	53	0.0	-77.11	399.12	8.96	-68.15
CC1CC(NC(=O)N2CCOC(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655627	1	53	0.0	-79.56	392.13	8.64	-70.92
CC1CC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655628	0	58	0.0	-69.57	420.11	9.91	-59.66
CC1CC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655628	1	58	0.0	-64.64	422.87	10.58	-54.06
CC1CC(NC(=O)NCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013655629	0	54	0.0	-74.67	413.71	8.84	-65.83
CC1CC(NC(=O)NCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013655629	1	54	0.0	-76.49	409.68	9.19	-67.30
CC1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655630	0	55	0.0	-74.19	426.02	10.51	-63.68
CC1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655630	1	55	0.0	-77.01	425.94	10.51	-66.50
CC1CC(NC(=O)NCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013655631	0	48	0.0	-71.67	370.71	7.26	-64.41
CC1CC(NC(=O)NCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013655631	1	48	0.0	-72.95	366.68	7.62	-65.33
CC1CC(NC(=O)NCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013655632	0	57	0.0	-73.90	435.21	9.62	-64.28
CC1CC(NC(=O)NCCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013655632	1	57	0.0	-74.75	431.18	9.97	-64.78
CC1CC(NC(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013655633	0	54	0.0	-74.69	406.15	8.71	-65.98
CC1CC(NC(=O)NCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013655633	1	54	0.0	-76.80	402.12	9.07	-67.73
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655634	0	55	0.0	-71.10	395.13	10.62	-60.48
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655634	1	55	0.0	-74.24	413.00	10.11	-64.13
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C1	REAL300013655635	0	58	0.0	-79.42	420.87	10.78	-68.64
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C1	REAL300013655635	1	58	0.0	-57.91	406.28	11.75	-46.16
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655636	0	58	0.0	-76.53	415.50	11.16	-65.37
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655636	1	58	0.0	-75.64	412.79	10.49	-65.15
CC1CC(NC(=O)NCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013655637	0	51	0.0	-69.97	392.21	8.06	-61.91
CC1CC(NC(=O)NCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013655637	1	51	0.0	-69.85	388.18	8.41	-61.44
CC1CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)CC1C(=O)[O-]	REAL300013655638	0	58	0.0	-76.40	422.19	10.97	-65.43
CC1CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)CC1C(=O)[O-]	REAL300013655638	1	58	0.0	-78.28	418.98	10.80	-67.48
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655639	0	59	0.0	-64.92	432.30	8.23	-56.69
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655639	1	59	0.0	-65.69	416.31	8.65	-57.04
CC1CC(NC(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013655640	0	57	0.0	-71.17	424.91	8.92	-62.25
CC1CC(NC(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013655640	1	57	0.0	-70.91	420.88	9.28	-61.63
CCC(CC)(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013655641	0	60	0.0	-63.01	433.10	9.90	-53.11
CCC(CC)(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013655641	1	60	0.0	-61.30	433.78	10.09	-51.21
CC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013655642	0	51	0.0	-73.24	390.07	8.05	-65.19
CC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013655642	1	51	0.0	-74.84	385.23	8.37	-66.47
CC(C)C(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013655643	0	57	0.0	-66.16	428.00	9.21	-56.95
CC(C)C(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013655643	1	57	0.0	-62.50	405.92	9.71	-52.79
CC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655644	0	55	0.0	-66.33	409.71	9.65	-56.68
CC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655644	1	55	0.0	-66.54	397.71	9.73	-56.81
CC1CC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655645	0	61	0.0	-75.62	442.69	12.32	-63.30
CC1CC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655645	1	61	0.0	-72.92	446.67	11.97	-60.95
CC1CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655646	0	57	0.0	-77.29	408.24	9.09	-68.20
CC1CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655646	1	57	0.0	-72.11	423.44	8.78	-63.33
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655647	0	58	0.0	-64.74	430.68	10.12	-54.62
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655647	1	58	0.0	-63.19	423.67	10.68	-52.51
CC1CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)CCC1C(=O)[O-]	REAL300013655648	0	58	0.0	-75.13	414.38	10.99	-64.14
CC1CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)CCC1C(=O)[O-]	REAL300013655648	1	58	0.0	-72.88	422.22	10.97	-61.91
CC1CC(NC(=O)NCC2(C(=O)[O-])CCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655649	0	55	0.0	-64.73	405.97	9.09	-55.64
CC1CC(NC(=O)NCC2(C(=O)[O-])CCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655649	1	55	0.0	-58.50	408.67	9.75	-48.75
CC1CC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655650	0	58	0.0	-72.62	425.96	11.05	-61.57
CC1CC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655650	1	58	0.0	-73.09	423.14	10.39	-62.70
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655651	0	58	0.0	-76.53	415.50	11.16	-65.37
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655651	1	58	0.0	-75.64	412.79	10.49	-65.15
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)CC(=O)[O-]	REAL300013655652	0	63	0.0	-69.43	454.76	10.78	-58.65
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)CC(=O)[O-]	REAL300013655652	1	63	0.0	-70.39	458.65	10.49	-59.90
CC1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013655653	0	55	0.0	-62.48	407.77	10.70	-51.78
CC1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013655653	1	55	0.0	-71.68	407.69	10.67	-61.01
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C1	REAL300013655654	0	59	0.0	-72.55	426.98	9.71	-62.84
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C1	REAL300013655654	1	59	0.0	-73.23	442.55	9.91	-63.32
CC1CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655655	0	52	0.0	-72.31	390.56	8.29	-64.02
CC1CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655655	1	52	0.0	-70.68	397.60	8.61	-62.07
CC1CC(NC(=O)NC2CCN(CC(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655656	0	60	0.0	-73.19	429.75	8.12	-65.07
CC1CC(NC(=O)NC2CCN(CC(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655656	1	60	0.0	-77.22	429.34	8.06	-69.16
CC1CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655657	0	55	0.0	-61.12	406.81	10.54	-50.58
CC1CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655657	1	55	0.0	-61.96	399.45	10.18	-51.78
CC1CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655658	0	55	0.0	-58.15	390.23	10.89	-47.26
CC1CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655658	1	55	0.0	-76.91	406.59	10.57	-66.34
CC1CC(NC(=O)NC2CC(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655659	0	52	0.0	-74.24	390.49	8.35	-65.89
CC1CC(NC(=O)NC2CC(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655659	1	52	0.0	-72.49	397.18	8.66	-63.83
CC1CC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655660	0	52	0.0	-71.91	381.30	9.09	-62.82
CC1CC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655660	1	52	0.0	-74.11	390.78	8.34	-65.77
CC1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655661	0	55	0.0	-74.19	426.02	10.51	-63.68
CC1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655661	1	55	0.0	-77.01	425.94	10.51	-66.50
CCC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013655662	0	54	0.0	-63.60	406.28	8.94	-54.66
CCC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013655662	1	54	0.0	-61.86	407.18	9.08	-52.78
CC1CC(NC(=O)N2CCCCC2CCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013655663	0	61	0.0	-79.82	433.92	11.61	-68.21
CC1CC(NC(=O)N2CCCCC2CCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013655663	1	61	0.0	-82.43	436.29	12.25	-70.18
CC1CC(NC(=O)NCCCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013655664	0	63	0.0	-75.76	478.20	11.18	-64.58
CC1CC(NC(=O)NCCCCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013655664	1	63	0.0	-77.11	474.17	11.54	-65.57
CC1CC(NC(=O)NCCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013655665	0	60	0.0	-76.30	456.70	10.40	-65.90
CC1CC(NC(=O)NCCCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013655665	1	60	0.0	-78.24	452.68	10.75	-67.49
CC1CC(NC(=O)N(C)CCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013655666	0	54	0.0	-75.10	405.88	10.78	-64.32
CC1CC(NC(=O)N(C)CCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013655666	1	54	0.0	-74.03	409.78	10.44	-63.59
CC1CC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655667	0	58	0.0	-80.07	415.47	10.93	-69.14
CC1CC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655667	1	58	0.0	-81.29	418.03	11.59	-69.70
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300013655668	0	58	0.0	-60.36	441.52	9.80	-50.56
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300013655668	1	58	0.0	-53.86	417.62	10.31	-43.55
CC1CC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655669	0	61	0.0	-79.37	431.37	12.37	-67.00
CC1CC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655669	1	61	0.0	-76.85	446.94	11.99	-64.86
CC1CC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655670	0	56	0.0	-68.03	405.34	9.94	-58.09
CC1CC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655670	1	56	0.0	-72.95	405.38	9.92	-63.03
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300013655671	0	58	0.0	-55.70	418.20	11.40	-44.30
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300013655671	1	58	0.0	-54.01	417.39	11.50	-42.51
CC1CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655672	0	56	0.0	-76.59	409.58	7.75	-68.84
CC1CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655672	1	56	0.0	-77.21	412.37	8.43	-68.78
CC1CC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655673	0	53	0.0	-76.38	407.40	8.85	-67.53
CC1CC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)CC[N@H+]1CC1=CC=CC=C1	REAL300013655673	1	53	0.0	-76.57	407.14	8.86	-67.71
CC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655674	0	58	0.0	-68.08	426.85	10.23	-57.85
CC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655674	1	58	0.0	-69.63	420.08	9.91	-59.72
CC1CC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655675	0	61	0.0	-75.38	451.05	10.55	-64.83
CC1CC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655675	1	61	0.0	-75.92	435.12	10.96	-64.96
CC1CC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655676	0	58	0.0	-67.00	420.38	11.54	-55.46
CC1CC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655676	1	58	0.0	-67.61	424.36	11.19	-56.42
CC1CC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655677	0	59	0.0	-78.42	436.93	10.92	-67.50
CC1CC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655677	1	59	0.0	-75.15	440.97	10.60	-64.55
CC1CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655678	0	58	0.0	-70.42	416.63	10.25	-60.17
CC1CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655678	1	58	0.0	-73.24	425.26	9.49	-63.75
CC1CC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655679	0	58	0.0	-67.11	411.74	10.67	-56.44
CC1CC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655679	1	58	0.0	-69.58	415.34	10.20	-59.38
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655680	0	59	0.0	-62.08	433.12	8.31	-53.77
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655680	1	59	0.0	-57.09	417.20	8.73	-48.36
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655681	0	56	0.0	-63.02	413.28	7.11	-55.91
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655681	1	56	0.0	-65.53	405.95	7.98	-57.55
CC1CC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655682	0	53	0.0	-72.34	402.40	9.01	-63.33
CC1CC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC[N@H+]1CC1=CC=CC=C1	REAL300013655682	1	53	0.0	-72.47	402.32	9.00	-63.47
CC1CC(NC(=O)NCC2(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655683	0	52	0.0	-69.04	401.17	8.60	-60.44
CC1CC(NC(=O)NCC2(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655683	1	52	0.0	-60.55	381.89	9.42	-51.13
CC1CC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655684	0	59	0.0	-61.32	416.49	11.70	-49.62
CC1CC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655684	1	59	0.0	-66.76	435.61	11.36	-55.40
CC1CC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655685	0	56	0.0	-78.22	414.62	9.76	-68.46
CC1CC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655685	1	56	0.0	-78.22	414.57	9.76	-68.46
CC1CC(NC(=O)N2CC(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655686	0	49	0.0	-66.30	373.88	9.17	-57.13
CC1CC(NC(=O)N2CC(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655686	1	49	0.0	-68.11	371.62	8.51	-59.60
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C1	REAL300013655687	0	59	0.0	-57.53	436.22	9.88	-47.65
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C1	REAL300013655687	1	59	0.0	-56.47	434.95	9.83	-46.64
CC1CC(NC(=O)N2CCC(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655688	0	52	0.0	-74.71	377.14	10.04	-64.67
CC1CC(NC(=O)N2CCC(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013655688	1	52	0.0	-75.05	386.54	9.29	-65.76
CC1CC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC[N@@H+]1CC1=CC=CC=C1	REAL300013655689	0	53	0.0	-78.26	392.24	9.78	-68.48
CC1CC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC[N@H+]1CC1=CC=CC=C1	REAL300013655689	1	53	0.0	-76.94	392.21	9.78	-67.16
CC(CCC(=O)[O-])NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300013655690	0	54	0.0	-68.34	408.00	9.41	-58.93
CC(CCC(=O)[O-])NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300013655690	1	54	0.0	-66.47	407.94	9.41	-57.06
CC1CCC2=C(F)C=CC=C2C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013655723	1	52	0.0	-36.68	392.09	8.49	-28.19
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CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013656243	0	64	0.0	-78.01	469.43	7.00	-71.01
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013656244	0	62	0.0	-70.84	456.73	4.55	-66.29
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013656245	0	59	0.0	-79.05	445.80	6.50	-72.55
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013656246	0	58	0.0	-66.18	434.84	6.05	-60.13
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013656247	0	62	0.0	-87.26	451.90	6.94	-80.32
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013656248	0	55	0.0	-73.26	415.56	6.08	-67.18
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013656249	0	58	0.0	-81.84	430.69	6.80	-75.04
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013656250	0	59	0.0	-84.26	445.07	6.51	-77.75
CC(CCC(=O)[O-])NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1	REAL300013656251	0	60	0.0	-74.26	449.32	6.23	-68.03
CCC1=CC=C(C(C)(C)CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013656284	1	57	0.0	-36.65	425.74	9.56	-27.09
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013656327	0	57	0.0	-74.57	410.74	9.85	-64.72
CC(C)CC[NH+]1CCC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013656328	0	57	0.0	-78.33	434.40	9.47	-68.86
CC(C)CC[NH+]1CCC(CNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013656329	0	55	0.0	-65.36	403.45	8.28	-57.08
CC(C)CC[NH+]1CCC(CNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013656330	0	60	0.0	-69.50	431.30	9.54	-59.96
CC(C)CC[NH+]1CCC(CNC(=O)NCCCCC(=O)[O-])CC1	REAL300013656331	0	56	0.0	-78.28	418.13	8.14	-70.14
CC(C)CC[NH+]1CCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013656332	0	57	0.0	-79.11	434.40	9.46	-69.65
CC(C)CC[NH+]1CCC(CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013656333	0	59	0.0	-76.74	439.63	8.92	-67.82
CC(C)CC[NH+]1CCC(CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013656334	0	56	0.0	-78.80	410.58	8.02	-70.78
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013656335	0	57	0.0	-77.74	417.49	9.41	-68.33
CC(C)CC[NH+]1CCC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013656336	0	60	0.0	-61.78	431.93	10.44	-51.34
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013656337	0	60	0.0	-77.84	424.53	10.15	-67.69
CC(C)CC[NH+]1CCC(CNC(=O)NCCCC(=O)[O-])CC1	REAL300013656338	0	53	0.0	-72.65	396.63	7.36	-65.29
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013656339	0	60	0.0	-61.31	426.97	10.32	-50.99
CC(C)CC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013656340	0	61	0.0	-65.19	437.72	7.33	-57.86
CC(C)CC[NH+]1CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013656341	0	59	0.0	-73.37	429.92	8.25	-65.12
CCC(CC)(CNC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300013656342	0	62	0.0	-69.03	442.23	9.05	-59.98
CC(C)CC[NH+]1CCC(CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013656343	0	53	0.0	-76.76	392.81	7.31	-69.45
CC(C)CC[NH+]1CCC(CNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013656344	0	59	0.0	-67.69	425.96	8.66	-59.03
CC(C)CC[NH+]1CCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013656345	0	66	0.0	-81.13	469.88	9.94	-71.19
CC(C)CC[NH+]1CCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013656346	0	63	0.0	-67.05	461.60	10.88	-56.17
CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013656347	0	57	0.0	-69.92	418.49	8.65	-61.27
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013656348	0	63	0.0	-77.96	451.59	11.34	-66.62
CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013656349	0	59	0.0	-76.36	428.28	8.16	-68.20
CC(C)CC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013656350	0	60	0.0	-68.59	435.09	9.41	-59.18
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013656351	0	60	0.0	-75.40	423.81	10.57	-64.83
CC(C)CC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013656352	0	57	0.0	-65.41	417.11	8.70	-56.71
CC(C)CC[NH+]1CCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013656353	0	60	0.0	-78.24	442.14	9.33	-68.91
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013656354	0	60	0.0	-77.84	424.53	10.15	-67.69
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CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013656358	0	54	0.0	-73.30	402.20	7.96	-65.34
CC(C)CC[NH+]1CCC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013656359	0	62	0.0	-75.38	450.14	7.00	-68.38
CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013656360	0	57	0.0	-81.42	410.60	9.82	-71.60
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CC(C)CC[NH+]1CCC(CNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013656368	0	62	0.0	-79.89	461.13	9.71	-70.18
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CC(C)CC[NH+]1CCC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013656373	0	63	0.0	-81.53	451.95	11.33	-70.20
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CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013656375	0	58	0.0	-74.26	423.57	8.62	-65.64
CC(C)CC[NH+]1CCC(CNC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013656376	0	60	0.0	-60.39	425.19	10.42	-49.97
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CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013656394	0	57	0.0	-70.33	431.13	9.69	-60.64
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CC1(C)CCCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013656803	1	51	0.0	-35.24	369.48	6.85	-28.39
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C[NH+](C)CCC1=CC=C(CNC(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300013657316	0	49	0.0	-82.42	385.43	8.15	-74.27
C[NH+](C)CCC1=CC=C(CNC(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300013657317	0	54	0.0	-82.26	419.05	9.01	-73.25
C[NH+](C)CCC1=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C1	REAL300013657318	0	50	0.0	-80.14	400.15	7.98	-72.16
C[NH+](C)CCC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013657319	0	51	0.0	-80.95	416.42	9.30	-71.65
C[NH+](C)CCC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013657320	0	53	0.0	-78.59	421.65	8.76	-69.83
C[NH+](C)CCC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013657321	0	50	0.0	-80.76	392.59	7.86	-72.90
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300013657322	0	51	0.0	-84.66	396.66	9.33	-75.33
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300013657323	0	54	0.0	-67.45	409.47	10.54	-56.91
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013657324	0	54	0.0	-78.89	406.57	10.01	-68.88
C[NH+](C)CCC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013657325	0	47	0.0	-75.23	378.65	7.20	-68.03
CC1CCN(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)CC1C(=O)[O-]	REAL300013657326	0	54	0.0	-82.58	408.56	10.13	-72.45
C[NH+](C)CCC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013657327	0	55	0.0	-72.96	418.74	7.37	-65.59
C[NH+](C)CCC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013657328	0	53	0.0	-75.96	411.35	8.08	-67.88
CCC(CC)(CNC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013657329	0	56	0.0	-73.73	424.24	8.89	-64.84
CC(CNC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013657330	0	47	0.0	-78.93	374.83	7.15	-71.78
CC(C)C(CNC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013657331	0	53	0.0	-74.24	414.44	8.35	-65.89
CC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013657332	0	60	0.0	-83.17	451.49	9.78	-73.39
C[NH+](C)CCC1=CC=C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013657333	0	57	0.0	-74.64	447.53	10.52	-64.12
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013657334	0	51	0.0	-73.24	400.07	8.47	-64.77
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300013657335	0	57	0.0	-78.12	433.16	11.15	-66.97
C[NH+](C)CCC1=CC=C(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C=C1	REAL300013657336	0	53	0.0	-77.40	409.86	7.98	-69.42
C[NH+](C)CCC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013657337	0	54	0.0	-73.47	417.11	9.25	-64.22
CC1CN(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)CCC1C(=O)[O-]	REAL300013657338	0	54	0.0	-76.58	405.83	10.43	-66.15
C[NH+](C)CCC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCC2)C=C1	REAL300013657339	0	51	0.0	-71.38	400.04	8.42	-62.96
C[NH+](C)CCC1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300013657340	0	54	0.0	-81.08	424.16	9.19	-71.89
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013657341	0	54	0.0	-78.89	406.57	10.01	-68.88
CC(C)C[C@H](CNC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013657342	0	59	0.0	-79.68	445.14	9.64	-70.04
C[NH+](C)CCC1=CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013657343	0	51	0.0	-80.37	410.02	9.44	-70.93
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300013657344	0	55	0.0	-82.93	430.37	8.38	-74.55
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013657345	0	48	0.0	-75.71	384.11	7.77	-67.94
C[NH+](C)CCC1=CC=C(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C=C1	REAL300013657346	0	56	0.0	-80.26	431.70	6.80	-73.46
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013657347	0	51	0.0	-67.09	392.59	9.68	-57.41
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300013657348	0	51	0.0	-83.00	393.15	9.71	-73.29
C[NH+](C)CCC1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300013657349	0	48	0.0	-75.72	383.73	7.78	-67.94
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300013657350	0	48	0.0	-77.15	383.64	7.82	-69.33
C[NH+](C)CCC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013657351	0	51	0.0	-80.95	416.42	9.30	-71.65
CCC(CNC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013657352	0	50	0.0	-72.06	392.73	8.10	-63.96
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCCCC2CCC(=O)[O-])C=C1	REAL300013657353	0	57	0.0	-88.89	426.49	11.07	-77.82
C[NH+](C)CCC1=CC=C(CNC(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300013657354	0	59	0.0	-80.21	464.65	10.32	-69.89
C[NH+](C)CCC1=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=C1	REAL300013657355	0	56	0.0	-81.49	443.15	9.54	-71.95
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300013657356	0	50	0.0	-82.03	396.28	9.62	-72.41
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300013657357	0	54	0.0	-83.20	407.98	10.46	-72.74
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300013657358	0	58	0.0	-87.21	440.17	9.60	-77.61
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300013657359	0	54	0.0	-67.09	427.97	8.96	-58.13
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300013657360	0	57	0.0	-83.07	433.51	11.16	-71.91
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C=C1	REAL300013657361	0	55	0.0	-89.57	425.75	12.46	-77.11
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C=C1	REAL300013657362	0	52	0.0	-71.75	405.65	8.45	-63.30
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300013657363	0	54	0.0	-83.06	408.52	10.26	-72.80
C[NH+](C)CCC1=CC=C(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C=C1	REAL300013657364	0	58	0.0	-70.33	455.82	12.30	-58.03
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300013657365	0	52	0.0	-80.48	402.77	7.28	-73.20
C[NH+](C)CCC1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300013657366	0	55	0.0	-78.55	439.09	10.54	-68.01
C[NH+](C)CCC1=CC=C(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C=C1	REAL300013657367	0	58	0.0	-96.09	444.73	9.54	-86.55
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)CC1	REAL300013657368	0	58	0.0	-79.70	437.20	9.75	-69.95
C[NH+](C)CCC1=CC=C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300013657369	0	49	0.0	-81.96	393.86	7.99	-73.97
C[NH+](C)CCC1=CC=C(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C=C1	REAL300013657370	0	60	0.0	-72.50	439.77	9.98	-62.52
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300013657371	0	54	0.0	-74.33	414.62	9.42	-64.91
C[NH+](C)CCC1=CC=C(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300013657372	0	57	0.0	-79.93	438.80	9.72	-70.21
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300013657373	0	54	0.0	-72.47	410.85	10.38	-62.09
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C=C1	REAL300013657374	0	55	0.0	-80.40	427.39	9.76	-70.64
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013657375	0	54	0.0	-76.53	418.52	9.00	-67.53
C[NH+](C)CCC1=CC=C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C=C1	REAL300013657376	0	54	0.0	-74.04	414.61	9.42	-64.62
C[NH+](C)CCC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300013657377	0	55	0.0	-76.10	423.86	7.85	-68.25
C[NH+](C)CCC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300013657378	0	52	0.0	-72.10	405.80	6.54	-65.56
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013657379	0	49	0.0	-76.74	395.27	8.50	-68.24
C[NH+](C)CCC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013657380	0	48	0.0	-69.71	383.93	8.05	-61.66
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1	REAL300013657381	0	55	0.0	-70.91	420.92	10.47	-60.44
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300013657382	0	51	0.0	-73.80	412.60	9.55	-64.25
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300013657383	0	52	0.0	-83.04	401.02	8.93	-74.11
C[NH+](C)CCC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C2)C=C1	REAL300013657384	0	45	0.0	-71.23	364.90	7.98	-63.25
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300013657385	0	55	0.0	-69.87	424.20	8.78	-61.09
C[NH+](C)CCC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300013657386	0	48	0.0	-78.68	379.78	8.78	-69.90
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013657387	0	49	0.0	-81.40	394.89	8.51	-72.89
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300013657388	0	50	0.0	-73.98	398.41	8.23	-65.75
CC1=CC(C(F)(F)F)=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013657422	1	48	0.0	-36.75	389.03	8.06	-28.69
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=C3NC=CC3=CC=C2)CC1	REAL300013657491	1	46	0.0	-37.53	364.50	6.27	-31.26
CCCCOC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1Cl	REAL300013657560	1	55	0.0	-37.83	443.53	8.63	-29.20
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC2=CC=CC=C2O1	REAL300013657626	1	48	0.0	-37.01	381.02	7.62	-29.39
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C(F)C(F)=C2)CC1	REAL300013657700	1	45	0.0	-45.05	367.35	7.17	-37.88
CC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1Br	REAL300013657839	1	45	0.0	-36.11	369.81	7.34	-28.77
COC(CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(F)(F)F	REAL300013657959	1	45	0.0	-38.03	362.74	4.13	-33.90
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3(CCCCC3)CC2)CC1	REAL300013658032	1	58	0.0	-35.31	404.06	8.44	-26.87
CC(C)C(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013658128	1	57	0.0	-35.76	418.52	10.12	-25.64
CC(C)C(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(C)C	REAL300013658183	1	53	0.0	-34.70	375.71	7.63	-27.07
CCOC(CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OCC	REAL300013658241	1	52	0.0	-37.82	397.79	4.86	-32.96
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CN3CCSC3=N2)CC1	REAL300013658311	1	47	0.0	-51.12	380.24	6.26	-44.86
C[NH+](C)CCOCCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013658380	0	45	0.0	-73.84	368.00	5.08	-68.76
C[NH+](C)CCOCCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013658381	0	48	0.0	-63.17	366.20	5.22	-57.95
C[NH+](C)CCOCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013658382	0	45	0.0	-76.09	368.00	5.07	-71.02
C[NH+](C)CCOCCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013658383	0	55	0.0	-74.58	420.07	8.92	-65.66
CC1CC(C(=O)[O-])CN(C(=O)NCCOCC[NH+](C)C)C1	REAL300013658384	0	48	0.0	-57.03	360.88	6.29	-50.74
C[NH+](C)CCOCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013658385	0	48	0.0	-69.42	358.09	5.79	-63.63
CC1CCN(C(=O)NCCOCC[NH+](C)C)CC1C(=O)[O-]	REAL300013658386	0	48	0.0	-57.68	363.70	6.01	-51.67
C[NH+](C)CCOCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013658387	0	49	0.0	-65.24	370.32	3.16	-62.08
CCC(CC)(CNC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300013658388	0	50	0.0	-59.23	371.12	4.82	-54.41
CC(NC(=O)NCCOCC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013658389	0	54	0.0	-74.15	403.07	5.54	-68.61
C[NH+](C)CCOCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013658390	0	51	0.0	-66.02	399.10	6.31	-59.71
C[NH+](C)CCOCCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013658391	0	51	0.0	-72.19	384.76	6.92	-65.27
C[NH+](C)CCOCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013658392	0	47	0.0	-70.07	361.62	3.76	-66.31
C[NH+](C)CCOCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013658393	0	48	0.0	-65.19	368.69	5.04	-60.15
CC1CN(C(=O)NCCOCC[NH+](C)C)CCC1C(=O)[O-]	REAL300013658394	0	48	0.0	-67.58	357.35	6.21	-61.37
C[NH+](C)CCOCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013658395	0	48	0.0	-71.29	375.66	4.97	-66.32
C[NH+](C)CCOCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013658396	0	48	0.0	-69.42	358.09	5.79	-63.63
CC(C)C[C@H](CNC(=O)NCCOCC[NH+](C)C)CC(=O)[O-]	REAL300013658397	0	53	0.0	-64.32	402.04	5.58	-58.74
C[NH+](C)CCOCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013658398	0	45	0.0	-72.21	361.61	5.19	-67.02
COCC1(C(=O)[O-])CCN(C(=O)NCCOCC[NH+](C)C)C1	REAL300013658399	0	49	0.0	-71.88	381.95	4.18	-67.70
C[NH+](C)CCOCCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013658400	0	50	0.0	-70.89	383.73	2.65	-68.24
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCCOCC[NH+](C)C)C2)C=N1	REAL300013658401	0	55	0.0	-72.92	422.24	6.94	-65.98
C[NH+](C)CCOCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013658402	0	45	0.0	-76.09	368.00	5.07	-71.02
COC(=O)C1CC2(C1)CN(C(=O)NCCOCC[NH+](C)C)CC2C(=O)[O-]	REAL300013658403	0	55	0.0	-66.87	428.54	6.95	-59.92
C[NH+](C)CCOCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013658404	0	51	0.0	-80.59	378.52	6.89	-73.70
C[NH+](C)CCOCCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013658405	0	53	0.0	-74.48	416.23	6.11	-68.37
C[NH+](C)CCOCCNC(=O)NCCCCCCC(=O)[O-]	REAL300013658406	0	50	0.0	-75.65	394.73	5.32	-70.33
C[NH+](C)CCOCCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013658407	0	48	0.0	-77.08	359.50	6.24	-70.84
COCC1(C(=O)[O-])CCCN(C(=O)NCCOCC[NH+](C)C)C1	REAL300013658408	0	52	0.0	-80.82	391.03	6.03	-74.79
COCCN(CCC(=O)[O-])C(=O)NCCOCC[NH+](C)C	REAL300013658409	0	48	0.0	-58.02	379.56	4.73	-53.29
C[NH+](C)CCOCCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013658410	0	54	0.0	-77.94	417.97	6.97	-70.97
C[NH+](C)CCOCCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013658411	0	51	0.0	-76.97	384.99	6.92	-70.05
C[NH+](C)CCOCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013658412	0	49	0.0	-74.47	378.08	7.99	-66.48
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCOCC[NH+](C)C)CCO1	REAL300013658413	0	56	0.0	-63.19	432.86	6.13	-57.06
C[NH+](C)CCOCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013658414	0	46	0.0	-68.53	356.88	4.20	-64.33
CC1CCC(C(=O)[O-])CN1C(=O)NCCOCC[NH+](C)C	REAL300013658415	0	48	0.0	-57.27	361.35	6.08	-51.19
C[NH+](C)CCOCCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013658416	0	52	0.0	-63.65	407.34	8.09	-55.56
C[NH+](C)CCOCCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013658417	0	46	0.0	-74.34	354.25	3.05	-71.29
C[NH+](C)CCOCCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013658418	0	49	0.0	-70.28	388.38	6.24	-64.04
C[NH+](C)CCOCCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013658419	0	52	0.0	-88.54	396.32	5.30	-83.24
COCC1(C(=O)[O-])CCN(C(=O)NCCOCC[NH+](C)C)CC1	REAL300013658420	0	52	0.0	-69.38	389.46	4.90	-64.48
C[NH+](C)CCOCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013658421	0	54	0.0	-63.70	391.35	5.76	-57.94
C[NH+](C)CCOCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013658422	0	48	0.0	-63.35	366.20	5.21	-58.14
C[NH+](C)CCOCCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013658423	0	51	0.0	-73.67	390.38	5.50	-68.17
C[NH+](C)CCOCCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013658424	0	48	0.0	-72.85	362.38	6.15	-66.70
C[NH+](C)CCOCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013658425	0	49	0.0	-75.15	378.98	5.56	-69.59
C[NH+](C)CCOCCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013658426	0	48	0.0	-70.56	370.10	4.76	-65.80
C[NH+](C)CCOCCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013658427	0	48	0.0	-70.44	370.10	4.77	-65.67
C[NH+](C)CCOCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013658428	0	49	0.0	-63.77	375.26	3.62	-60.15
C[NH+](C)CCOCCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013658429	0	46	0.0	-60.18	357.38	2.33	-57.85
C[NH+](C)CCOCCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013658430	0	57	0.0	-73.79	443.26	7.46	-66.33
C[NH+](C)CCOCCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013658431	0	49	0.0	-63.07	373.72	6.30	-56.77
C[NH+](C)CCOCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013658432	0	45	0.0	-67.63	364.73	5.32	-62.31
C[NH+](C)CCOCCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013658433	0	46	0.0	-76.81	352.61	4.71	-72.10
COC1CC(C(=O)[O-])CN(C(=O)NCCOCC[NH+](C)C)C1	REAL300013658434	0	49	0.0	-58.45	375.79	4.56	-53.89
C[NH+](C)CCOCCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013658435	0	54	0.0	-81.21	423.19	4.04	-77.17
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=CC=C2OC(F)F)CC1	REAL300013658469	1	49	0.0	-40.69	392.71	6.69	-34.00
CC(C)C(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=NN1C	REAL300013658542	1	54	0.0	-42.16	403.14	6.25	-35.91
O=C([O-])C[NH+]1CCC(NC(=O)NCCOCC(F)F)CC1	REAL300013658595	1	42	0.0	-40.19	341.31	3.59	-36.60
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300013658653	1	48	0.0	-41.45	389.41	8.12	-33.33
CCC(O)(CC)CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013658714	1	51	0.0	-36.51	374.74	3.50	-33.01
O=C([O-])C[NH+]1CCC(NC(=O)NOCC2CCOC2)CC1	REAL300013658758	1	44	0.0	-40.34	342.32	4.50	-35.84
COC1=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)OC2=CC=CC=C21	REAL300013658813	1	49	0.0	-38.63	394.53	6.12	-32.51
CCOC1CC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013658880	1	52	0.0	-37.60	398.15	6.06	-31.54
CCOCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(C)C	REAL300013658937	1	51	0.0	-34.05	378.05	5.05	-29.00
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NC=NN1C	REAL300013658984	1	44	0.0	-38.37	348.23	5.22	-33.15
CCN(C)C(=O)C(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013659021	1	48	0.0	-37.60	365.68	4.42	-33.18
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CC1=[NH+]C=CN1CCCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013659064	1	43	0.0	-72.24	362.22	7.17	-65.07
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CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C[NH+]1CCCC1	REAL300013659071	0	48	0.0	-74.51	376.24	7.59	-66.92
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CCCC[N@H+](C)CC1CCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013659081	0	57	0.0	-79.09	428.66	11.15	-67.94
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C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013659085	0	51	0.0	-81.17	418.46	11.32	-69.85
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CC(C)[N@H+](C)CC1CCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013659088	0	54	0.0	-76.68	402.37	10.16	-66.52
CC(C)[N@@H+](C)CC1CCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013659088	1	54	0.0	-76.48	402.42	10.17	-66.31
CC[NH+](CC)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1=CC=CO1	REAL300013659093	0	51	0.0	-72.63	393.88	8.03	-64.60
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C[N@@H+](CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300013659096	1	48	0.0	-80.24	390.32	8.44	-71.80
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CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013659118	0	51	0.0	-75.63	394.80	8.55	-67.08
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013659118	1	51	0.0	-75.88	394.93	8.58	-67.30
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013659121	0	57	0.0	-71.42	421.46	9.02	-62.40
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013659122	0	54	0.0	-76.21	415.34	9.04	-67.17
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013659123	0	54	0.0	-70.81	393.88	8.46	-62.35
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013659123	1	54	0.0	-71.39	400.26	8.44	-62.95
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013659125	0	52	0.0	-77.19	413.17	9.75	-67.44
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013659125	1	52	0.0	-77.51	412.69	9.60	-67.91
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013659156	0	55	0.0	-84.56	431.73	6.95	-77.61
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013659157	1	46	0.0	-71.92	378.18	7.86	-64.06
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013659165	0	59	0.0	-73.44	433.95	6.95	-66.49
O=C([O-])C1=CC=C(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C=C1	REAL300013659182	0	58	0.0	-76.85	423.56	12.13	-64.72
O=C([O-])C1=CC=C(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C=C1	REAL300013659182	1	58	0.0	-77.21	423.89	12.12	-65.09
CC(C)(C)[NH+]1CCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013659188	0	48	0.0	-72.94	358.46	8.21	-64.73
CC(C)(C)CC[NH+]1CCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013659193	0	54	0.0	-78.30	405.45	9.88	-68.42
C[NH+](C)CCC1CCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013659198	0	51	0.0	-77.85	389.63	9.58	-68.27
CCC[N@@H+]1CCC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013659210	0	48	0.0	-76.65	380.96	7.41	-69.24
CCC[N@H+]1CCC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013659210	1	48	0.0	-77.01	380.05	7.36	-69.65
O=C([O-])C1=CC=C(CNC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300013659217	0	55	0.0	-79.84	433.14	10.36	-69.48
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCC3=CC=C(C(=O)[O-])C=C3)=C2)CCO1	REAL300013659218	1	56	0.0	-78.88	441.30	8.64	-70.24
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCC3=CC=C(C(=O)[O-])C=C3)=C2)CCO1	REAL300013659218	1	56	0.0	-79.42	448.01	8.67	-70.75
O=C([O-])C1=CC=C(CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C=C1	REAL300013659222	0	58	0.0	-78.47	434.96	10.09	-68.38
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013659234	0	52	0.0	-74.07	422.75	8.29	-65.78
O=C([O-])C1=CC=C(CNC(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)C=C1	REAL300013659235	0	52	0.0	-78.40	415.78	9.03	-69.37
O=C([O-])C1=CC=C(CNC(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)C=C1	REAL300013659235	1	52	0.0	-77.66	417.02	9.48	-68.18
O=C([O-])C1=CC=C(CNC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C=C1	REAL300013659236	0	52	0.0	-79.41	423.52	9.47	-69.94
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013659243	1	52	0.0	-80.28	409.58	6.42	-73.86
O=C([O-])C1=CC=C(CNC(=O)N2CC[N@@H+]3CCCC3C2)C=C1	REAL300013659249	0	43	0.0	-74.25	334.81	7.92	-66.33
O=C([O-])C1=CC=C(CNC(=O)N2CC[N@H+]3CCCC3C2)C=C1	REAL300013659249	1	43	0.0	-74.26	334.67	7.90	-66.36
CCOCC[NH+]1CCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013659250	1	49	0.0	-75.30	383.61	7.66	-67.64
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300013659260	0	51	0.0	-78.16	400.97	9.07	-69.09
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300013659260	1	51	0.0	-77.25	401.24	9.09	-68.16
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013659264	0	57	0.0	-71.78	419.03	9.09	-62.69
CCC1CCC[N@H+](C(C)(C)CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013659264	1	57	0.0	-71.93	411.66	9.06	-62.87
CC[N@@H+]1CCCCC1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013659266	0	48	0.0	-72.52	367.32	7.63	-64.89
CC[N@H+]1CCCCC1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013659266	1	48	0.0	-74.54	363.34	6.96	-67.58
O=C([O-])C1=CC=C(CNC(=O)NCCCCC[NH+]2CCCCC2)C=C1	REAL300013659277	0	54	0.0	-76.16	419.29	9.04	-67.12
C[NH+](C)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300013659286	0	48	0.0	-82.86	391.32	8.52	-74.34
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCCCC1	REAL300013659298	0	48	0.0	-73.46	367.26	7.67	-65.79
CC(C)(C)[NH+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013659303	0	51	0.0	-73.13	383.56	7.51	-65.62
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C[NH+]1CCCCC1	REAL300013659304	0	51	0.0	-75.94	392.38	8.33	-67.61
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013659324	0	53	0.0	-73.13	427.90	7.17	-65.96
CC1=CC=C(C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)[NH+]2CCCC2)C=C1	REAL300013659326	0	55	0.0	-74.72	433.28	10.34	-64.38
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CCC(C[NH+]1CCCC1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013661084	0	48	0.0	-74.98	374.70	7.66	-67.32
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CCCC1CN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013661105	0	58	0.0	-76.84	444.05	12.24	-64.60
CCCC1CN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013661105	1	58	0.0	-76.86	444.06	12.25	-64.61
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CC1CCCC[N@H+]1CCCCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013664353	1	54	0.0	-74.70	414.92	8.76	-65.94
CC1CCC[N@H+](CCCCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013664354	0	54	0.0	-76.73	419.09	8.87	-67.86
CC1CCC[N@@H+](CCCCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013664354	1	54	0.0	-76.21	412.36	8.89	-67.32
CCN1CC[NH+](CCCCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013664355	0	56	0.0	-77.75	432.85	6.51	-71.24
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CC1CC(C)C[NH+](CCCCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013664357	0	57	0.0	-77.13	439.93	9.46	-67.67
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COC1CC2CN(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)CC3=CC=C[NH+]=C3N2C1	REAL300013666910	1	53	0.0	-70.45	412.51	7.88	-62.57
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CC[NH+](CC)CCC(C)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013667189	0	50	0.0	-75.61	390.40	8.06	-67.55
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O=C([O-])C1=CC=C(CNC(=O)N2CCC3CC[N@@H+](CC4=CC=CC=C4)C32)C=C1	REAL300013667224	1	53	0.0	-68.72	413.93	11.69	-57.03
CN(C(=O)NCC1=CC=C(C(=O)[O-])C=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300013667225	0	43	0.0	-79.83	342.66	4.02	-75.81
CN(C(=O)NCC1=CC=C(C(=O)[O-])C=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300013667225	1	43	0.0	-80.97	340.61	4.18	-76.79
COC(=O)C1CC([NH+](C)C)CN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013667251	0	51	0.0	-75.61	395.58	9.11	-66.50
CC1([NH+]2CCOCC2)CCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013667257	1	50	0.0	-74.38	377.91	6.88	-67.50
CN(C(=O)NCC1=CC=C(C(=O)[O-])C=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300013667267	0	51	0.0	-77.12	402.75	10.73	-66.39
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013667271	0	43	0.0	-76.81	351.48	4.40	-72.41
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013667271	1	43	0.0	-76.25	351.44	4.37	-71.88
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013667279	0	43	0.0	-76.63	336.55	7.60	-69.03
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013667279	1	43	0.0	-76.21	338.20	7.82	-68.39
CCC[NH+](CCC)CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013667333	0	50	0.0	-76.27	392.31	7.69	-68.58
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CC[N@H+](C)C1CCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013667346	0	45	0.0	-76.66	353.63	7.83	-68.83
CC[N@@H+](C)C1CCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013667346	1	45	0.0	-76.74	353.64	7.83	-68.91
CC[N@H+](C)CC1CCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013667362	0	51	0.0	-77.85	385.67	9.63	-68.22
CC[N@@H+](C)CC1CCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013667362	1	51	0.0	-77.55	385.68	9.63	-67.92
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CCC[N@@H+]1CCCCC1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013667519	0	51	0.0	-74.79	384.36	7.71	-67.08
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CCCC1=[NH+]C=CN1CCCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013667719	1	49	0.0	-72.21	400.85	8.42	-63.79
C=CC[N@H+]1CCCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013667740	0	46	0.0	-75.15	357.71	9.35	-65.80
C=CC[N@@H+]1CCCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013667740	1	46	0.0	-74.59	356.36	9.31	-65.28
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CC1CN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1C1CC1	REAL300013667791	1	46	0.0	-73.22	352.75	8.87	-64.35
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CC[N@H+]1CCN(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC12CCOC2	REAL300013668049	1	50	0.0	-76.16	372.04	6.90	-69.26
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CC(C)(C)[N@@H+]1CCCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013668165	0	51	0.0	-72.99	379.53	8.02	-64.97
CC(C)(C)[N@H+]1CCCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013668165	1	51	0.0	-73.09	383.55	7.48	-65.61
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CCC[N@H+](CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C(C)C	REAL300013668630	0	50	0.0	-74.92	379.52	7.01	-67.91
CCC[N@@H+](CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C(C)C	REAL300013668630	1	50	0.0	-74.59	380.01	7.12	-67.47
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CC(CNC(=O)NC1CCC(C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013668705	0	51	0.0	-74.02	378.44	7.21	-66.81
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CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013690963	0	55	0.0	-79.07	428.87	10.29	-68.78
CC1CC[NH+](CC2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300013690965	0	58	0.0	-79.11	456.39	10.93	-68.18
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013690966	0	58	0.0	-76.08	452.18	10.80	-65.28
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013690966	1	58	0.0	-76.13	452.18	10.80	-65.33
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013690967	0	58	0.0	-64.21	439.16	10.74	-53.47
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013690967	1	58	0.0	-63.04	442.40	11.61	-51.43
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)C1	REAL300013690968	0	58	0.0	-78.45	456.41	10.92	-67.53
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)C1	REAL300013690968	1	58	0.0	-78.53	456.35	10.91	-67.62
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013690969	0	58	0.0	-66.03	450.03	11.15	-54.88
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013690969	1	58	0.0	-65.66	447.28	11.84	-53.82
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CC[NH+](CC)CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013691005	0	47	0.0	-76.08	366.35	6.71	-69.37
CCN(CC)C1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300013691021	1	50	0.0	-68.25	409.06	8.61	-59.64
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CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013691052	0	54	0.0	-78.12	430.13	9.81	-68.31
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CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013691099	0	58	0.0	-76.45	455.20	9.30	-67.15
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CC[NH+](CC)C(C)CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013691116	0	47	0.0	-69.66	359.89	6.81	-62.85
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O=C([O-])C1=CC(CNC(=O)NCC[N@H+]2CCC3=CC=CC=C3C2)=CC=C1	REAL300013691117	1	49	0.0	-79.95	393.47	8.85	-71.10
CN(C)C1=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=[NH+]1	REAL300013691119	0	44	0.0	-70.26	365.11	6.71	-63.55
CN(C)C1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300013691120	1	44	0.0	-70.38	365.09	6.74	-63.64
CCC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013691121	0	55	0.0	-75.76	420.29	10.80	-64.96
CCC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013691121	1	55	0.0	-75.92	419.20	10.85	-65.07
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300013691122	0	54	0.0	-77.69	397.33	9.20	-68.49
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CSC=C1	REAL300013691124	0	45	0.0	-73.08	372.45	8.31	-64.77
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@@H+]1CCCC(C)C1	REAL300013691125	0	51	0.0	-73.19	381.37	8.28	-64.91
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@H+]1CCCC(C)C1	REAL300013691125	1	51	0.0	-73.36	386.82	7.94	-65.42
CC1CC[NH+](CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013691126	0	48	0.0	-75.77	375.65	7.29	-68.48
C[N@H+](CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300013691127	0	54	0.0	-77.37	411.17	8.65	-68.72
C[N@@H+](CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300013691127	1	54	0.0	-77.06	411.16	8.65	-68.41
CC1CC(C)C[NH+](CCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013691129	0	54	0.0	-77.19	418.42	8.68	-68.51
O=C([O-])C1=CC(CNC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)=CC=C1	REAL300013691130	0	52	0.0	-81.48	414.95	9.63	-71.85
O=C([O-])C1=CC(CNC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)=CC=C1	REAL300013691130	1	52	0.0	-81.56	414.95	9.65	-71.91
CC(C[NH+]1CCCCC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013691132	0	48	0.0	-76.57	373.67	7.86	-68.71
O=C([O-])C1=CC(CNC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)=CC=C1	REAL300013691133	0	52	0.0	-64.04	400.54	10.40	-53.64
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300013691136	0	48	0.0	-75.71	385.39	8.44	-67.27
CC(C)[NH+](CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(C)C	REAL300013691137	0	50	0.0	-71.80	374.20	6.82	-64.98
O=C([O-])C1=CC(CNC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC=C1	REAL300013691162	0	57	0.0	-82.14	445.55	8.42	-73.72
O=C([O-])C1=CC=CC(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)=C1	REAL300013691163	0	53	0.0	-78.50	400.88	8.43	-70.07
C[NH+](C)CC1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013691164	0	48	0.0	-81.60	367.81	8.96	-72.64
C[NH+](C)C1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCCCC1	REAL300013691211	0	51	0.0	-76.83	368.97	8.32	-68.51
CC1CC[NH+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013691212	0	54	0.0	-77.50	418.64	8.86	-68.64
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013691213	0	54	0.0	-75.09	414.93	8.75	-66.34
CC1CCCC[N@H+]1CCCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013691213	1	54	0.0	-75.56	408.21	8.45	-67.11
CC1CCC[N@H+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013691214	0	54	0.0	-76.97	419.09	8.86	-68.11
CC1CCC[N@@H+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013691214	1	54	0.0	-76.42	412.36	8.88	-67.54
CCN1CC[NH+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013691215	0	56	0.0	-77.92	432.86	6.50	-71.42
CC[NH+]1CCN(CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013691215	1	56	0.0	-75.51	431.69	6.36	-69.15
CC1CC(C)C[NH+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013691217	0	57	0.0	-77.29	439.92	9.45	-67.84
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013691234	1	57	0.0	-77.11	434.28	8.23	-68.88
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013691236	1	55	0.0	-81.01	434.72	6.08	-74.93
C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)CC2)CC1	REAL300013691237	1	56	0.0	-88.20	424.64	8.69	-79.51
C=CC[NH+](CC=C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(C)C	REAL300013691252	0	55	0.0	-66.02	413.05	9.80	-56.22
COC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+]2CCCC2)C=C1	REAL300013691254	0	56	0.0	-78.92	440.16	8.85	-70.07
O=C([O-])C1=CC(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)=CC=C1	REAL300013691255	0	58	0.0	-73.54	411.01	10.13	-63.41
COC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300013691256	0	52	0.0	-75.71	411.09	8.63	-67.08
O=C([O-])C1=CC(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)=CC=C1	REAL300013691273	0	52	0.0	-69.92	409.03	8.87	-61.05
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CO1	REAL300013691274	1	45	0.0	-77.16	367.84	7.00	-70.16
O=C([O-])C1=CC(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)=CC=C1	REAL300013691278	0	56	0.0	-74.52	405.47	6.97	-67.55
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CS1	REAL300013691284	0	45	0.0	-76.02	370.57	7.24	-68.78
C[NH+](C)C1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCCC1	REAL300013691285	0	48	0.0	-73.64	361.29	7.29	-66.35
O=C([O-])C1=CC(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)=CC=C1	REAL300013691319	0	49	0.0	-71.95	388.36	7.73	-64.22
CC(C)[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013691320	0	48	0.0	-75.26	367.42	7.05	-68.21
CC(C)(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCCCC1	REAL300013691328	0	51	0.0	-68.64	379.78	7.83	-60.81
COC1=CC=CC=C1C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCCC1	REAL300013691335	0	56	0.0	-67.99	434.94	9.34	-58.65
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300013691337	0	51	0.0	-76.53	398.06	9.83	-66.70
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC(F)=C1	REAL300013691340	0	48	0.0	-83.14	391.65	8.53	-74.61
CCC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300013691341	0	54	0.0	-78.18	427.67	9.89	-68.29
O=C([O-])C1=CC(CNC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1	REAL300013691344	0	57	0.0	-79.44	448.77	7.87	-71.57
CC[NH+](CC)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300013691345	0	54	0.0	-70.08	410.95	9.55	-60.53
O=C([O-])C1=CC(CNC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)=CC=C1	REAL300013691346	0	49	0.0	-73.23	394.53	8.29	-64.94
CC(C)C[NH+]1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013691371	0	48	0.0	-75.87	367.98	8.92	-66.95
O=C([O-])C1=CC(CNC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1	REAL300013691375	0	49	0.0	-79.38	397.95	9.07	-70.31
O=C([O-])C1=CC(CNC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1	REAL300013691375	1	49	0.0	-79.65	397.19	9.06	-70.59
CC[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013691378	0	45	0.0	-76.24	354.39	6.76	-69.48
O=C([O-])C1=CC=CC(CNC(=O)N2CC[NH+](CC3CCCO3)CC2)=C1	REAL300013691381	1	50	0.0	-75.58	385.21	7.90	-67.68
COC1=CC=CC(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+]2CCCC2)=C1	REAL300013691387	0	56	0.0	-75.76	437.97	9.51	-66.25
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1Cl	REAL300013691388	1	48	0.0	-78.74	393.85	9.79	-68.95
CC1=CC=CC(C[NH+]2CCN(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)CC2)=C1	REAL300013691390	1	52	0.0	-80.51	409.40	11.08	-69.43
CC1=CC=CC=C1C[NH+]1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013691399	1	52	0.0	-75.52	404.09	11.06	-64.46
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013691417	0	48	0.0	-80.48	393.99	8.45	-72.03
O=C([O-])C1=CC(CNC(=O)NC2CC[N@@H+]3CCCC3C2)=CC=C1	REAL300013691430	0	46	0.0	-75.12	356.36	7.45	-67.67
O=C([O-])C1=CC(CNC(=O)NC2CC[N@H+]3CCCC3C2)=CC=C1	REAL300013691430	1	46	0.0	-72.88	359.96	7.25	-65.63
O=C([O-])C1=CC(CNC(=O)NCC2CC[N@@H+](C3CC3)C2)=CC=C1	REAL300013691440	0	46	0.0	-73.90	369.76	7.32	-66.58
O=C([O-])C1=CC(CNC(=O)NCC2CC[N@H+](C3CC3)C2)=CC=C1	REAL300013691440	1	46	0.0	-74.76	370.31	7.42	-67.34
C[NH+](C)C1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCCCCC1	REAL300013691458	0	54	0.0	-76.09	381.87	8.39	-67.70
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013691470	0	54	0.0	-73.90	433.40	11.46	-62.44
COCC[N@H+](C)CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013691480	0	48	0.0	-77.09	385.40	5.47	-71.62
COCC[N@@H+](C)CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013691480	1	48	0.0	-76.65	385.45	5.46	-71.19
CC[NH+](CC)CCN(CC(C)C)C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013691491	0	56	0.0	-69.50	424.92	10.88	-58.62
CC(C)CC(C[NH+](C)C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013691494	0	50	0.0	-72.06	389.92	8.04	-64.02
CN(CC1CCC[N@@H+]1C)C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013691507	0	45	0.0	-59.05	345.38	8.69	-50.36
CN(CC1CCC[N@H+]1C)C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013691507	1	45	0.0	-67.25	351.21	8.46	-58.79
C[NH+](C)C1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013691513	0	48	0.0	-74.67	366.73	7.67	-67.00
COCC(C)(C)[NH+]1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013691531	0	52	0.0	-74.01	390.06	7.39	-66.62
O=C([O-])C1=CC=CC(CNC(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=C1	REAL300013691557	0	53	0.0	-79.04	416.39	11.03	-68.01
O=C([O-])C1=CC=CC(CNC(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=C1	REAL300013691557	1	53	0.0	-76.98	409.82	10.73	-66.25
CC1CN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300013691569	0	58	0.0	-73.26	430.69	11.38	-61.88
CC1CN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300013691569	1	58	0.0	-74.93	418.41	11.03	-63.90
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)N1C[C@@H](C)O[C@@H](C)C1	REAL300013691578	0	52	0.0	-73.78	401.08	6.75	-67.03
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013691578	1	52	0.0	-75.33	391.31	6.36	-68.97
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013691578	1	52	0.0	-75.33	391.31	6.36	-68.97
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013691579	0	45	0.0	-75.24	362.90	6.81	-68.43
CCC(C)(C)[NH+]1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013691588	0	51	0.0	-74.27	372.63	8.68	-65.59
O=C([O-])C1=CC=CC(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)=C1	REAL300013691596	0	44	0.0	-73.78	343.25	4.04	-69.74
O=C([O-])C1=CC=CC(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)=C1	REAL300013691596	1	44	0.0	-73.78	343.25	4.04	-69.74
CC(C)C[N@H+](C)CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013691598	0	50	0.0	-77.14	391.98	7.73	-69.41
CC(C)C[N@@H+](C)CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013691598	1	50	0.0	-77.14	391.98	7.73	-69.41
CC[N@H+](CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300013691624	0	57	0.0	-76.21	424.84	9.03	-67.18
CC[N@@H+](CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300013691624	1	57	0.0	-76.21	424.84	9.03	-67.18
CCCCC[N@H+](CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300013691626	0	60	0.0	-78.22	461.26	10.79	-67.43
CCCCC[N@@H+](CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300013691626	1	60	0.0	-78.22	461.26	10.79	-67.43
CN1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(CC2=CC=CC=C2)C1	REAL300013691627	0	52	0.0	-87.58	407.54	11.65	-75.93
C[N@@H+]1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(CC2=CC=CC=C2)C1	REAL300013691627	1	52	0.0	-81.83	407.36	11.67	-70.16
C[N@H+]1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(CC2=CC=CC=C2)C1	REAL300013691627	1	52	0.0	-81.83	407.36	11.67	-70.16
O=C([O-])C1=CC(CNC(=O)NC2CCC[N@@H+]3CCCCC23)=CC=C1	REAL300013691652	0	49	0.0	-74.16	372.28	8.61	-65.55
O=C([O-])C1=CC(CNC(=O)NC2CCC[N@H+]3CCCCC23)=CC=C1	REAL300013691652	1	49	0.0	-74.16	372.28	8.61	-65.55
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CCC1([NH+]2CCCCC2)CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013692393	0	58	0.0	-74.81	407.45	10.51	-64.30
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C[N@H+]1C[C@@H]2CN(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)C[C@]2(C)C1	REAL300013692751	1	46	0.0	-80.01	358.77	7.85	-72.16
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CC1([NH+]2CCC2)CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013692837	0	52	0.0	-72.38	383.53	8.23	-64.15
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CC[N@H+]1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1(C)C	REAL300013692943	1	48	0.0	-74.16	357.43	8.52	-65.64
CC1([NH+]2CCOCC2)CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013692961	0	56	0.0	-77.45	409.25	6.66	-70.79
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CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013692997	0	58	0.0	-80.78	450.41	10.78	-70.00
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013692997	1	58	0.0	-80.13	439.35	10.17	-69.96
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CCC(C)[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013693064	0	51	0.0	-74.33	385.65	7.85	-66.48
C[NH+](C)C1CCC2CN(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)CC2C1	REAL300013693100	0	52	0.0	-78.90	386.35	9.55	-69.35
CCN1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@H+](CC)CC1	REAL300013693122	0	56	0.0	-75.23	396.81	7.54	-67.69
CCN1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@@H+](CC)CC1	REAL300013693122	1	56	0.0	-77.72	397.04	7.56	-70.16
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CCC1CN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@H+](C)C1	REAL300013693151	0	48	0.0	-79.64	365.23	9.33	-70.31
CCC1CN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@@H+](C)C1	REAL300013693151	1	48	0.0	-77.18	359.69	9.04	-68.14
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013693152	0	59	0.0	-70.37	429.95	6.67	-63.70
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CC1CN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013693430	1	52	0.0	-77.45	400.27	11.01	-66.44
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COCC(COC)[NH+]1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013693441	1	53	0.0	-70.97	407.25	7.59	-63.38
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CCCN(C(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CC[N@@H+](C)C1	REAL300013693565	1	48	0.0	-71.93	371.46	8.93	-63.00
CCN(C(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CC[N@H+](C)C1	REAL300013693566	0	45	0.0	-68.70	349.78	8.37	-60.33
CCN(C(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CC[N@@H+](C)C1	REAL300013693566	1	45	0.0	-68.53	349.98	8.17	-60.36
COC(=O)C1CN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@H+](C)C1	REAL300013693594	0	48	0.0	-82.41	379.25	8.70	-73.71
COC(=O)C1CN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@@H+](C)C1	REAL300013693594	1	48	0.0	-80.00	376.82	8.39	-71.61
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CC(C)[NH+]1CCN(C2CCN(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)C2)CC1	REAL300013693600	0	57	0.0	-76.15	429.08	7.83	-68.32
C[N@@H+]1CCCC2C1CCN2C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013693624	0	46	0.0	-78.80	344.43	7.53	-71.27
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C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013693735	0	55	0.0	-78.88	429.01	6.34	-72.54
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=CC=C1	REAL300013693740	0	48	0.0	-77.84	405.13	7.60	-70.24
O=C([O-])C1=CC=CC(CNC(=O)N2CC3=CC=C[NH+]=C3N3C[C@H](O)C[C@H]3C2)=C1	REAL300013693760	1	50	0.0	-74.13	390.68	5.41	-68.72
CO[C@@H]1C[C@@H]2CN(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)CC3=CC=C[NH+]=C3N2C1	REAL300013693761	1	53	0.0	-74.60	412.16	7.84	-66.76
COC1CC2CN(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)CC3=CC=C[NH+]=C3N2C1	REAL300013693770	1	53	0.0	-74.50	412.31	7.84	-66.66
O=C([O-])C1=CC=CC(CNC(=O)N2CC3=CC=C[NH+]=C3N3CCC[C@@H]3C2)=C1	REAL300013693785	1	49	0.0	-72.00	379.56	8.88	-63.12
O=C([O-])C1=CC=CC(CNC(=O)N2CC3=CC=C[NH+]=C3N3CCC[C@H]3C2)=C1	REAL300013693786	1	49	0.0	-71.83	379.45	8.94	-62.89
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013693796	0	49	0.0	-83.00	390.52	3.08	-79.92
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013693796	1	49	0.0	-80.69	396.35	3.59	-77.10
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C[NH+](C)CC1=C2CN(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)CCN2N=C1	REAL300013693843	0	49	0.0	-70.00	390.38	8.03	-61.97
C[N@@H+]1CC2CCC(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C2C1	REAL300013693880	0	46	0.0	-79.64	356.20	7.27	-72.37
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CC[NH+](CC)CCC(C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013694049	0	50	0.0	-77.65	390.77	7.96	-69.69
O=C([O-])C1=CC=CC(CNC(=O)N2CCC3CC[N@H+](CC4=CC=CC=C4)C32)=C1	REAL300013694084	0	53	0.0	-67.01	404.14	10.70	-56.31
O=C([O-])C1=CC=CC(CNC(=O)N2CCC3CC[N@@H+](CC4=CC=CC=C4)C32)=C1	REAL300013694084	1	53	0.0	-66.36	414.07	11.68	-54.68
CN(C(=O)NCC1=CC=CC(C(=O)[O-])=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300013694085	0	43	0.0	-78.54	341.91	3.99	-74.55
CN(C(=O)NCC1=CC=CC(C(=O)[O-])=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300013694085	1	43	0.0	-80.75	342.24	4.00	-76.75
COC(=O)C1CC([NH+](C)C)CN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013694111	0	51	0.0	-68.74	395.58	9.10	-59.64
CC1([NH+]2CCOCC2)CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013694117	1	50	0.0	-71.64	377.92	6.87	-64.77
CN(C(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300013694127	0	51	0.0	-77.49	397.05	11.06	-66.43
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013694131	0	43	0.0	-74.42	351.37	4.42	-70.00
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013694131	1	43	0.0	-73.38	351.41	4.38	-69.00
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013694139	0	43	0.0	-75.10	335.72	7.60	-67.50
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013694139	1	43	0.0	-74.00	338.42	7.80	-66.20
CCC[NH+](CCC)CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013694193	0	50	0.0	-75.90	387.84	7.40	-68.50
C[N@@H+]1CC[C@@H](NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=CC=C1	REAL300013694204	0	49	0.0	-78.03	386.92	8.29	-69.74
C[N@H+]1CC[C@@H](NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=CC=C1	REAL300013694204	1	49	0.0	-78.21	395.36	9.03	-69.18
CC[N@H+](C)C1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013694206	0	45	0.0	-75.96	353.62	7.80	-68.16
CC[N@@H+](C)C1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013694206	1	45	0.0	-76.75	353.63	7.81	-68.94
CC[N@H+](C)CC1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013694222	0	51	0.0	-80.52	385.60	9.63	-70.89
CC[N@@H+](C)CC1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013694222	1	51	0.0	-80.77	385.68	9.62	-71.15
C[C@@H]1C[C@H](NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300013694246	0	58	0.0	-75.33	432.67	9.94	-65.39
C[C@@H]1C[C@H](NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300013694246	1	58	0.0	-75.31	432.27	10.04	-65.27
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C2	REAL300013694262	0	49	0.0	-78.49	366.23	7.23	-71.26
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C2	REAL300013694262	1	49	0.0	-77.50	363.11	7.65	-69.85
C[N@@H+]1CC[C@@H](NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300013694269	1	49	0.0	-79.50	401.62	8.77	-70.73
C[N@H+]1CC[C@@H](NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300013694269	1	49	0.0	-79.23	411.49	9.61	-69.62
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CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)NCC1=CC=CC(C(=O)[O-])=C1)C2	REAL300013694351	1	48	0.0	-67.86	382.90	8.56	-59.30
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)NCC1=CC=CC(C(=O)[O-])=C1)C2	REAL300013694377	1	48	0.0	-67.86	382.90	8.56	-59.30
CCC[N@@H+]1CCCCC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013694379	0	51	0.0	-71.16	388.89	8.39	-62.77
CCC[N@H+]1CCCCC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013694379	1	51	0.0	-74.87	384.85	7.70	-67.17
O=C([O-])C1=CC=CC(CNC(=O)N2CCC(NC3=CC=[NH+]C=C3Cl)CC2)=C1	REAL300013694400	1	48	0.0	-77.15	398.57	8.09	-69.06
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013694437	1	50	0.0	-77.22	377.60	7.35	-69.87
CC1=[NH+]C=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(N)=N1	REAL300013694453	1	40	0.0	-71.16	342.42	3.78	-67.38
C[N@@H+]1CC[C@@H](NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300013694477	0	49	0.0	-80.38	391.31	8.32	-72.06
C[N@H+]1CC[C@@H](NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300013694477	1	49	0.0	-80.12	401.18	9.16	-70.96
O=C([O-])C1=CC(CNC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)=CC=C1	REAL300013694507	0	50	0.0	-73.17	374.32	9.59	-63.58
CC1=C[NH+]=CC=C1N1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013694519	0	48	0.0	-71.85	383.99	7.98	-63.87
CCCC1=[NH+]C=CN1CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013694579	1	49	0.0	-72.28	400.86	8.42	-63.86
C=CC[N@H+]1CCCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013694600	0	46	0.0	-76.62	357.71	9.33	-67.29
C=CC[N@@H+]1CCCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013694600	1	46	0.0	-70.86	356.34	9.30	-61.56
C[NH+]1CC23CCCC2(CN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C3)C1	REAL300013694607	0	50	0.0	-85.75	378.67	8.76	-76.99
O=C([O-])C1=CC(CNC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)=CC=C1	REAL300013694616	0	49	0.0	-74.11	399.36	9.19	-64.92
CC1CN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@@H+]1C1CC1	REAL300013694651	1	46	0.0	-70.86	352.67	8.86	-62.00
CC1CN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@H+]1C1CC1	REAL300013694651	1	46	0.0	-73.27	358.94	8.65	-64.62
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C[NH+](C)CCCCCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013694700	0	50	0.0	-77.49	399.61	7.96	-69.53
C[N@@H+]1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC12CCC2	REAL300013694702	0	46	0.0	-72.57	360.12	6.83	-65.74
C[N@H+]1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC12CCC2	REAL300013694702	1	46	0.0	-72.56	360.11	6.82	-65.74
C[NH+](C)C1CCCCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013694732	0	48	0.0	-68.68	360.94	8.99	-59.69
O=C([O-])C1=CC(CNC(=O)NCCCN2C=[NH+]C3=C2CCCC3)=CC=C1	REAL300013694741	1	50	0.0	-72.98	405.36	9.66	-63.32
C[N@@H+]1C[C@@H]2CCN(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)[C@@H]2C1	REAL300013694748	0	43	0.0	-71.53	335.84	7.48	-64.05
C[N@H+]1C[C@@H]2CCN(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)[C@@H]2C1	REAL300013694748	1	43	0.0	-70.24	336.00	7.50	-62.74
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013694749	0	43	0.0	-74.47	345.85	4.25	-70.22
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CC1CN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300013694807	1	58	0.0	-73.89	435.23	12.33	-61.56
CC[N@@H+]1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC12CCOC2	REAL300013694909	1	50	0.0	-72.99	372.45	7.09	-65.90
CC[N@H+]1CCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC12CCOC2	REAL300013694909	1	50	0.0	-75.61	372.05	6.89	-68.72
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CC(C)(C)[N@@H+]1CCCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013695025	0	51	0.0	-72.21	379.55	8.01	-64.20
CC(C)(C)[N@H+]1CCCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013695025	1	51	0.0	-71.69	383.55	7.47	-64.22
CN(C)C1=CC=C(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300013695069	1	47	0.0	-71.17	387.82	7.44	-63.73
C[N@@H+]1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC12CCCC2	REAL300013695070	0	49	0.0	-69.80	374.22	7.53	-62.27
C[N@H+]1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC12CCCC2	REAL300013695070	1	49	0.0	-68.97	372.94	7.50	-61.47
C[N@@H+]1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC12CCOCC2	REAL300013695112	0	50	0.0	-75.41	379.20	5.41	-70.00
C[N@H+]1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC12CCOCC2	REAL300013695112	1	50	0.0	-75.54	374.69	5.47	-70.07
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CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013695209	1	50	0.0	-69.08	403.54	8.02	-61.06
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C[NH+](C)[C@H]1CCCCN(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013695370	0	48	0.0	-67.26	360.66	9.00	-58.26
CC1(C)CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013695414	0	55	0.0	-72.05	429.10	9.72	-62.33
CC1(C)CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013695414	1	55	0.0	-71.60	424.29	9.82	-61.78
C[NH+](C)CC1=CC=C(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013695442	0	51	0.0	-79.54	415.44	9.24	-70.30
O=C([O-])C1=CC(CNC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)=CC=C1	REAL300013695448	0	55	0.0	-80.14	422.59	10.17	-69.97
O=C([O-])C1=CC(CNC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1	REAL300013695448	1	55	0.0	-79.70	424.02	10.22	-69.48
CCC[N@H+](CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(C)C	REAL300013695490	0	50	0.0	-73.79	380.74	7.06	-66.73
CCC[N@@H+](CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(C)C	REAL300013695490	1	50	0.0	-73.90	379.96	7.08	-66.82
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C[N@H+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C)(C)C1	REAL300013695525	1	48	0.0	-75.45	366.48	7.49	-67.96
C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013695526	0	45	0.0	-76.33	357.54	7.12	-69.21
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CC1=CC=C(C(CNC(=O)NCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013695769	0	48	0.0	-68.53	372.84	7.34	-61.19
CC[NH+]1CCN(C2=CC(CNC(=O)NCCC(=O)[O-])=CC=N2)CC1	REAL300013695777	0	49	0.0	-73.47	383.99	4.82	-68.65
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CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCCC(=O)[O-])CC2)=N1	REAL300013695797	1	50	0.0	-78.67	393.97	4.00	-74.67
CC1CC[NH+](C(CNC(=O)NCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013695801	0	51	0.0	-68.28	386.68	8.90	-59.38
C[N@H+](CC1=CC=CC=C1CNC(=O)NCCC(=O)[O-])C1CCCCC1	REAL300013695812	0	54	0.0	-67.38	404.41	8.84	-58.54
C[N@@H+](CC1=CC=CC=C1CNC(=O)NCCC(=O)[O-])C1CCCCC1	REAL300013695812	1	54	0.0	-67.23	400.04	9.32	-57.91
O=C([O-])CCNC(=O)N1CC[NH+](CCC2=CC=CS2)CC1	REAL300013695824	1	42	0.0	-78.01	341.54	7.45	-70.56
COC1=CC=C(N2CC[NH+](CCNC(=O)NCCC(=O)[O-])CC2)C=C1	REAL300013695830	1	51	0.0	-78.05	394.31	4.02	-74.03
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C[NH+](C)CCN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCC(=O)[O-]	REAL300013695905	0	47	0.0	-82.28	391.53	9.35	-72.93
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CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCCC(=O)[O-]	REAL300013695939	0	50	0.0	-76.04	378.98	7.91	-68.13
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCCC(=O)[O-]	REAL300013695939	1	50	0.0	-74.65	371.73	7.87	-66.78
O=C([O-])CCNC(=O)N(CCC[NH+]1CCOCC1)CC1=CC=NC=C1	REAL300013695952	1	51	0.0	-77.76	399.34	6.90	-70.86
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CC1(C)CC(NC(=O)NCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013700708	0	48	0.0	-68.11	369.83	6.83	-61.28
CC1(C)CC(NC(=O)NCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013700708	1	48	0.0	-68.49	365.05	6.92	-61.57
O=C([O-])CCNC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013700725	0	48	0.0	-74.79	364.11	7.23	-67.56
O=C([O-])CCNC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013700725	1	48	0.0	-74.43	364.76	7.33	-67.10
CC[N@H+](CCNC(=O)NCCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013700739	0	44	0.0	-75.61	370.48	6.87	-68.74
CC[N@@H+](CCNC(=O)NCCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013700739	1	44	0.0	-76.45	364.50	6.52	-69.93
C[C@@H]1C[N@H+](C2CCN(C(=O)NCCC(=O)[O-])CC2)C[C@H](C)O1	REAL300013700762	0	49	0.0	-75.84	361.83	6.04	-69.80
C[C@@H]1C[N@@H+](C2CCN(C(=O)NCCC(=O)[O-])CC2)C[C@H](C)O1	REAL300013700762	1	49	0.0	-76.38	354.86	6.05	-70.33
O=C([O-])CCCCCNC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300013700769	0	54	0.0	-83.21	424.62	9.15	-74.06
CC(=O)N1CCN(C2=CC(CNC(=O)NCCCCCC(=O)[O-])=CC=[NH+]2)CC1	REAL300013700773	1	57	0.0	-78.98	446.04	5.76	-73.22
O=C([O-])CCCCCNC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300013700778	0	51	0.0	-74.39	391.16	7.77	-66.62
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)NCCCCCC(=O)[O-]	REAL300013700786	0	53	0.0	-72.43	417.79	10.55	-61.88
CCCC[N@H+](C)CC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013700792	0	59	0.0	-78.87	433.95	10.61	-68.26
CCCC[N@@H+](C)CC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013700792	1	59	0.0	-78.78	433.91	10.60	-68.18
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013700797	0	53	0.0	-82.69	423.61	10.80	-71.89
CC1=CC=C(CN(CC[NH+](C)C)C(=O)NCCCCCC(=O)[O-])O1	REAL300013700798	0	53	0.0	-77.53	420.87	9.68	-67.85
CC(C)[N@H+](C)CC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013700800	0	56	0.0	-76.35	407.62	9.60	-66.75
CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013700800	1	56	0.0	-76.31	407.60	9.60	-66.71
CC[NH+](CC)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CO1	REAL300013700805	0	53	0.0	-70.46	404.30	7.38	-63.08
C[N@H+](CCNC(=O)NCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013700808	0	50	0.0	-77.73	395.51	7.88	-69.85
C[N@@H+](CCNC(=O)NCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013700808	1	50	0.0	-77.72	395.47	7.88	-69.84
O=C([O-])CCCCCNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300013700809	1	48	0.0	-79.10	389.26	7.42	-71.68
O=C([O-])CCCCCNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300013700809	1	48	0.0	-79.08	389.26	7.42	-71.66
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013700832	0	53	0.0	-73.01	400.04	8.01	-65.00
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013700832	1	53	0.0	-73.06	400.04	8.01	-65.05
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013700836	0	59	0.0	-68.49	419.82	8.49	-60.00
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013700837	0	56	0.0	-73.89	420.32	8.56	-65.33
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013700838	0	56	0.0	-68.47	399.12	7.91	-60.56
CC1CCC[N@H+](C(C)(C)CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013700838	1	56	0.0	-69.05	405.50	7.90	-61.15
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCCCCCC(=O)[O-])C1	REAL300013700841	0	54	0.0	-74.56	418.41	9.21	-65.35
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCCCCCC(=O)[O-])C1	REAL300013700841	1	54	0.0	-74.02	417.50	9.05	-64.97
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013700860	1	64	0.0	-81.97	469.44	9.79	-72.18
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013700875	0	57	0.0	-83.16	436.60	6.47	-76.69
CC1=[NH+]C=CN1CC(C)CNC(=O)NCCCCCC(=O)[O-]	REAL300013700876	1	48	0.0	-69.84	383.42	7.30	-62.54
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013700885	0	61	0.0	-73.07	439.19	6.39	-66.68
O=C([O-])CCCCCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1	REAL300013700902	0	60	0.0	-75.95	429.06	11.56	-64.39
O=C([O-])CCCCCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300013700902	1	60	0.0	-75.84	429.16	11.56	-64.28
CC(C)(C)CC[NH+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013700913	0	56	0.0	-76.45	411.12	9.35	-67.10
C[NH+](C)CCC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013700918	0	53	0.0	-77.24	394.87	9.00	-68.24
O=C([O-])CCCCCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013700938	0	57	0.0	-78.71	438.38	9.82	-68.89
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C2)CCO1	REAL300013700939	1	58	0.0	-77.59	453.27	8.12	-69.47
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C2)CCO1	REAL300013700939	1	58	0.0	-77.93	453.28	8.13	-69.80
O=C([O-])CCCCCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300013700944	0	60	0.0	-75.25	440.23	9.56	-65.69
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013700957	0	54	0.0	-71.47	427.98	7.73	-63.74
O=C([O-])CCCCCNC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300013700960	0	54	0.0	-75.95	421.02	8.49	-67.46
O=C([O-])CCCCCNC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300013700960	1	54	0.0	-75.13	422.26	8.94	-66.19
O=C([O-])CCCCCNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300013700961	0	54	0.0	-77.89	428.75	8.91	-68.98
COC1=CC=C(C[NH+]2CCC(CNC(=O)NCCCCCC(=O)[O-])CC2)C=C1	REAL300013700962	0	61	0.0	-82.31	467.88	9.12	-73.19
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013700970	1	54	0.0	-76.89	414.32	5.87	-71.02
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1	REAL300013700971	0	57	0.0	-75.85	444.18	9.85	-66.00
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1	REAL300013700971	1	57	0.0	-74.81	448.24	10.55	-64.26
CCOCC[NH+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013700977	1	51	0.0	-73.64	388.85	7.08	-66.56
CC(CNC(=O)NCCCCCC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300013700986	0	53	0.0	-75.68	406.21	8.52	-67.16
CC(CNC(=O)NCCCCCC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300013700986	1	53	0.0	-75.85	405.81	8.49	-67.36
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013700991	0	59	0.0	-69.40	424.11	8.53	-60.87
CCC1CCC[N@H+](C(C)(C)CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013700991	1	59	0.0	-69.52	416.90	8.51	-61.01
O=C([O-])CCCCCNC(=O)NCCCCC[NH+]1CCCCC1	REAL300013701002	0	56	0.0	-74.70	424.53	8.49	-66.21
CCC1=NC(C[NH+]2CCC(CNC(=O)NCCCCCC(=O)[O-])CC2)=CS1	REAL300013701003	1	59	0.0	-76.55	467.33	8.64	-67.91
COC1=CC=CC=C1C(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCCCC1	REAL300013701014	0	61	0.0	-69.54	456.08	10.03	-59.51
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=C(F)C=C1	REAL300013701015	0	50	0.0	-79.10	393.23	8.89	-70.21
O=C([O-])CCCCCNC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300013701022	1	54	0.0	-87.17	431.20	9.26	-77.91
CC(C)(C)[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013701032	0	53	0.0	-70.47	388.80	6.97	-63.50
CC(CNC(=O)NCCCCCC(=O)[O-])C[NH+]1CCCCC1	REAL300013701035	0	53	0.0	-73.77	397.34	7.74	-66.03
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013701057	0	55	0.0	-70.43	433.14	6.63	-63.80
CC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013701059	0	57	0.0	-71.83	437.34	9.70	-62.13
CC(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCC(C)CC1	REAL300013701060	0	53	0.0	-72.22	391.60	7.37	-64.85
CC[NH+]1CCN(C2=CC(CNC(=O)NCCCCCC(=O)[O-])=CC=N2)CC1	REAL300013701070	0	58	0.0	-74.97	448.49	7.18	-67.79
O=C([O-])CCCCCNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300013701074	0	60	0.0	-77.05	450.09	9.95	-67.10
O=C([O-])CCCCCNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300013701075	0	60	0.0	-75.01	449.60	9.98	-65.03
CN1CC[N@H+](C)CC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013701085	0	49	0.0	-75.78	366.54	3.73	-72.05
CN1CC[N@@H+](C)CC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013701085	1	49	0.0	-75.89	373.90	4.05	-71.84
O=C([O-])CCCCCNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013701089	0	58	0.0	-75.42	454.32	8.80	-66.62
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013701093	1	54	0.0	-76.79	407.81	10.43	-66.36
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013701093	1	54	0.0	-76.97	409.64	10.63	-66.34
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCCCCCC(=O)[O-])CC2)=N1	REAL300013701102	1	59	0.0	-79.74	458.47	6.36	-73.38
CC1CC[NH+](C(CNC(=O)NCCCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013701108	0	60	0.0	-71.69	451.17	11.26	-60.43
CC1CCCC(CNC(=O)NCCCCCC(=O)[O-])([NH+](C)C)C1	REAL300013701116	0	56	0.0	-73.84	398.60	7.64	-66.20
C[N@H+](CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-])C1CCCCC1	REAL300013701126	0	63	0.0	-70.06	468.91	11.20	-58.86
C[N@@H+](CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-])C1CCCCC1	REAL300013701126	1	63	0.0	-69.11	464.53	11.67	-57.44
O=C([O-])CCCCCNC(=O)N1CC[NH+](CCC2=CC=CS2)CC1	REAL300013701143	1	51	0.0	-79.68	406.01	9.81	-69.87
COC1=CC=C(N2CC[NH+](CCNC(=O)NCCCCCC(=O)[O-])CC2)C=C1	REAL300013701153	1	60	0.0	-81.01	458.80	6.37	-74.64
CCCC[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013701155	0	53	0.0	-74.84	402.19	7.73	-67.11
CN1CCC([NH+]2CCC(NC(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013701160	0	59	0.0	-75.28	430.33	5.82	-69.46
O=C([O-])CCCCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013701200	0	58	0.0	-73.55	419.42	8.61	-64.94
O=C([O-])CCCCCNC(=O)NCC[NH+]1CCSCC1	REAL300013701206	1	45	0.0	-78.23	359.59	5.93	-72.30
O=C([O-])CCCCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300013701218	0	60	0.0	-67.82	441.79	10.85	-56.97
O=C([O-])CCCCCNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013701261	1	58	0.0	-75.06	446.70	4.29	-70.77
O=C([O-])CCCCCNC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013701281	0	56	0.0	-84.04	435.93	8.24	-75.80
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013701292	0	59	0.0	-74.83	443.13	10.28	-64.55
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013701292	1	59	0.0	-76.62	436.23	10.22	-66.40
O=C([O-])CCCCCNC(=O)N(CCC[NH+]1CCOCC1)CC1=CC=NC=C1	REAL300013701305	1	60	0.0	-80.82	463.83	9.26	-71.56
O=C([O-])CCCCCNC(=O)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300013701308	0	55	0.0	-79.97	417.14	11.03	-68.94
CC([NH2+]C(C)(C)CNC(=O)NCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300013701317	0	56	0.0	-74.70	423.63	7.99	-66.71
CC([NH2+]C1(CNC(=O)NCCCCCC(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013701318	0	60	0.0	-75.38	446.78	8.97	-66.41
CCC(CC)(CNC(=O)NCCCCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013701319	0	62	0.0	-73.30	452.58	9.12	-64.18
CCC1CCCC[N@@H+]1CCNC(=O)NCCCCCC(=O)[O-]	REAL300013701322	0	53	0.0	-71.88	388.76	6.97	-64.91
CCC1CCCC[N@H+]1CCNC(=O)NCCCCCC(=O)[O-]	REAL300013701322	1	53	0.0	-71.34	395.35	7.28	-64.06
CN(C(=O)NCCCCCC(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013701327	0	57	0.0	-76.93	431.50	11.19	-65.74
CC(NC(=O)NCCCCCC(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013701337	0	59	0.0	-77.11	458.35	8.74	-68.37
O=C([O-])CCCCCNC(=O)N1CCC[N@H+](CCCC2=CC=CC=C2)CC1	REAL300013701339	0	60	0.0	-78.86	451.31	12.76	-66.10
O=C([O-])CCCCCNC(=O)N1CCC[N@@H+](CCCC2=CC=CC=C2)CC1	REAL300013701339	1	60	0.0	-78.96	451.31	12.80	-66.16
CC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+]2CCCC2)O1	REAL300013701377	0	54	0.0	-71.82	415.73	8.05	-63.77
COCCC[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013701404	0	54	0.0	-76.37	414.80	6.04	-70.33
CCC[NH+]1CCC(N(C)C(=O)NCCCCCC(=O)[O-])CC1	REAL300013701408	0	53	0.0	-74.60	394.09	9.02	-65.58
CN(C(=O)NCCCCCC(=O)[O-])C1CC[NH+](CCC2=CC=CC=N2)CC1	REAL300013701409	0	59	0.0	-78.61	448.20	10.27	-68.34
CN(C(=O)NCCCCCC(=O)[O-])C1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013701410	0	59	0.0	-84.86	448.44	10.25	-74.61
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013701423	0	60	0.0	-81.30	449.86	12.00	-69.30
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013701423	1	60	0.0	-81.27	449.84	12.00	-69.27
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013701434	0	56	0.0	-75.03	431.98	11.10	-63.93
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013701435	0	57	0.0	-85.78	456.73	6.42	-79.36
O=C([O-])CCCCCNC(=O)N1CCCC1C[NH+]1CCCC1	REAL300013701453	0	51	0.0	-67.55	377.52	8.33	-59.22
C[NH+]1CCN(CC(NC(=O)NCCCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013701464	0	59	0.0	-73.85	457.02	8.15	-65.70
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013701469	0	61	0.0	-76.72	479.36	7.51	-69.21
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013701469	1	61	0.0	-76.82	479.35	7.53	-69.29
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C2)CC1	REAL300013701477	0	60	0.0	-76.43	461.59	10.40	-66.03
CCC[NH+](CCC)CCCNC(=O)NCCCCCC(=O)[O-]	REAL300013701478	0	55	0.0	-75.50	414.57	7.67	-67.83
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C2)CC1	REAL300013701483	0	59	0.0	-74.07	457.79	7.34	-66.73
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C2)CC1	REAL300013701483	1	59	0.0	-76.06	457.25	7.23	-68.83
CC1CC[NH+](CC2CCCN(C(=O)NCCCCCC(=O)[O-])C2)CC1	REAL300013701509	0	60	0.0	-71.18	436.00	10.88	-60.30
CC(C)(CNC(=O)NCCCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013701518	0	57	0.0	-73.31	423.67	9.38	-63.93
CC(C)(CNC(=O)NCCCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013701518	1	57	0.0	-72.68	423.44	9.48	-63.20
O=C([O-])CCCCCNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	REAL300013701533	1	54	0.0	-82.36	430.98	8.19	-74.17
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013701535	0	59	0.0	-72.17	444.55	11.95	-60.22
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013701540	0	59	0.0	-79.24	457.17	12.13	-67.11
O=C([O-])CCCCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300013701551	0	55	0.0	-79.91	413.27	7.91	-72.00
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013701554	0	57	0.0	-78.44	451.62	8.36	-70.08
O=C([O-])CCCCCNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300013701556	0	57	0.0	-80.08	445.13	9.87	-70.21
O=C([O-])CCCCCNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300013701556	1	57	0.0	-78.70	445.38	9.88	-68.82
CC(CNC(=O)NCCCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013701580	0	54	0.0	-75.18	409.34	8.97	-66.21
CC(CNC(=O)NCCCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013701580	1	54	0.0	-75.42	409.06	8.94	-66.48
CC(CNC(=O)NCCCCCC(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300013701581	1	51	0.0	-75.70	401.21	8.40	-67.30
CC(CNC(=O)NCCCCCC(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300013701581	1	51	0.0	-76.53	400.19	8.01	-68.52
O=C([O-])CCCCCNC(=O)N1CC[NH+](CC2CCCCC2)CC1	REAL300013701600	0	57	0.0	-76.59	414.96	10.27	-66.32
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013701601	0	53	0.0	-75.96	428.22	11.00	-64.96
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013701602	0	53	0.0	-76.47	417.88	10.57	-65.90
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013701603	0	53	0.0	-81.62	429.99	10.82	-70.80
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)NCCCCCC(=O)[O-]	REAL300013701604	0	53	0.0	-86.45	423.86	10.80	-75.65
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013701612	0	56	0.0	-73.00	435.56	7.68	-65.32
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013701615	0	57	0.0	-78.67	424.71	8.14	-70.53
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013701627	1	57	0.0	-85.84	451.28	3.90	-81.94
O=C([O-])CCCCCNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300013701629	0	60	0.0	-81.70	466.34	8.25	-73.45
C[N@H+](CCN1CCN(C(=O)NCCCCCC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013701636	0	62	0.0	-79.98	466.60	9.59	-70.39
C[N@@H+](CCN1CCN(C(=O)NCCCCCC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013701636	1	62	0.0	-79.82	466.66	9.59	-70.23
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013701638	0	57	0.0	-76.14	450.55	8.47	-67.67
CC(C)(C)[N@@H+]1CCCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013701663	0	53	0.0	-71.28	379.17	8.93	-62.35
CC(C)(C)[N@H+]1CCCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013701663	1	53	0.0	-71.43	379.47	8.93	-62.50
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013701671	0	53	0.0	-75.61	416.91	8.58	-67.03
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013701671	1	53	0.0	-75.67	416.90	8.57	-67.10
COC1=CC=[NH+]C(N2CCN(C(=O)NCCCCCC(=O)[O-])CC2)=C1	REAL300013701677	0	51	0.0	-70.61	394.53	6.42	-64.19
O=C([O-])CCCCCNC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300013701683	0	49	0.0	-71.04	371.83	5.08	-65.96
O=C([O-])CCCCCNC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300013701683	1	49	0.0	-73.96	378.04	5.10	-68.86
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCCCCC(=O)[O-]	REAL300013701686	0	58	0.0	-71.65	428.61	7.20	-64.45
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCCCCC(=O)[O-]	REAL300013701686	1	58	0.0	-71.88	428.89	7.20	-64.68
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCCCCC(=O)[O-]	REAL300013701686	1	58	0.0	-75.83	428.94	7.29	-68.54
O=C([O-])CCCCCNC(=O)N1CCCC1C[NH+]1CCCCC1	REAL300013701688	0	54	0.0	-66.15	394.97	9.19	-56.96
CC1C[NH+](CC2CCCN2C(=O)NCCCCCC(=O)[O-])CC(C)O1	REAL300013701690	1	58	0.0	-67.95	421.82	8.24	-59.71
CC(C)[N@@H+]1CCCC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013701692	0	53	0.0	-69.94	389.27	7.39	-62.55
CC(C)[N@H+]1CCCC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013701692	1	53	0.0	-69.95	389.28	7.40	-62.55
CC1CCC(C)[NH+]1CCN1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013701693	0	62	0.0	-72.48	444.61	7.87	-64.61
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013701695	0	53	0.0	-75.39	415.85	10.32	-65.07
O=C([O-])CCCCCNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300013701698	0	58	0.0	-80.62	451.81	6.43	-74.19
CC[NH+](CC)CCN(CCOC)C(=O)NCCCCCC(=O)[O-]	REAL300013701699	0	56	0.0	-68.13	421.04	7.95	-60.18
COCCN(CC[NH+](C)C)C(=O)NCCCCCC(=O)[O-]	REAL300013701701	0	50	0.0	-69.72	389.67	6.87	-62.85
O=C([O-])CCCCCNC(=O)N1CCCC([NH+]2CCCC2)C1	REAL300013701731	0	51	0.0	-69.83	378.49	8.61	-61.22
O=C([O-])CCCCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300013701782	0	55	0.0	-71.53	395.72	5.82	-65.71
CC1(C)CN(C(=O)NCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013701788	0	57	0.0	-72.81	421.45	10.88	-61.93
CC1(C)CN(C(=O)NCCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013701788	1	57	0.0	-72.71	421.50	10.87	-61.84
C=C(C)C[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013701796	0	51	0.0	-73.78	393.33	7.37	-66.41
CCCN(C(=O)NCCCCCC(=O)[O-])C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013701863	0	63	0.0	-76.10	446.64	13.18	-62.92
CCCN(C(=O)NCCCCCC(=O)[O-])C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013701863	1	63	0.0	-76.13	446.83	13.17	-62.96
CC[NH+]1CCN(C2CCN(C(=O)NCCCCCC(=O)[O-])C2)CC1	REAL300013701884	0	56	0.0	-75.13	417.06	6.73	-68.40
CC(CN1CC[NH+](C)CC1)NC(=O)NCCCCCC(=O)[O-]	REAL300013701888	0	52	0.0	-71.17	395.53	4.80	-66.37
CC(C[NH+]1CCN(C)CC1)NC(=O)NCCCCCC(=O)[O-]	REAL300013701888	1	52	0.0	-73.64	395.67	4.85	-68.79
O=C([O-])CCCCCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300013701889	0	57	0.0	-76.58	451.93	10.27	-66.31
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2F)CC1	REAL300013701890	0	59	0.0	-77.64	460.72	8.09	-69.55
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)NCCCCCC(=O)[O-]	REAL300013701896	0	52	0.0	-83.82	408.41	8.69	-75.13
CC1CCCC(C)[NH+]1CCNC(=O)NCCCCCC(=O)[O-]	REAL300013701912	0	53	0.0	-70.28	389.91	6.84	-63.44
O=C([O-])CCCCCNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013701926	1	55	0.0	-77.80	432.07	7.37	-70.43
O=C([O-])CCCCCNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013701930	0	53	0.0	-83.00	413.53	7.39	-75.61
CC[NH+](CC)C1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013701937	0	53	0.0	-73.53	382.39	8.52	-65.01
O=C([O-])CCCCCNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013701954	0	62	0.0	-80.46	472.28	8.65	-71.81
CC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013701983	0	53	0.0	-74.42	408.89	9.59	-64.83
COCC[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013701993	0	51	0.0	-72.57	392.25	5.41	-67.16
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013702003	0	57	0.0	-71.82	422.42	9.35	-62.47
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013702003	1	57	0.0	-73.04	431.51	10.04	-63.00
O=C([O-])CCCCCNC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013702005	0	57	0.0	-76.73	438.38	9.83	-66.90
O=C([O-])CCCCCNC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013702005	1	57	0.0	-76.68	438.36	9.81	-66.87
O=C([O-])CCCCCNC(=O)N1CCCC([NH+]2CCCCC2)C1	REAL300013702007	0	54	0.0	-73.90	392.85	9.30	-64.60
COC1CC[NH+](C(C)(C)CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013702008	0	57	0.0	-72.50	417.38	6.32	-66.18
COC1CC[NH+](C2(CNC(=O)NCCCCCC(=O)[O-])CCCC2)CC1	REAL300013702009	0	61	0.0	-72.03	439.17	7.33	-64.70
O=C([O-])CCCCCNC(=O)N1CCC([NH+]2CCCCC2)C1	REAL300013702012	0	51	0.0	-73.64	382.68	8.48	-65.16
COCC[NH+]1CCC(CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013702016	0	54	0.0	-75.35	412.12	6.09	-69.26
CCCC[N@@H+]1CCCCC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013702031	0	56	0.0	-71.80	415.69	8.64	-63.16
CCCC[N@H+]1CCCCC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013702031	1	56	0.0	-71.85	415.67	8.65	-63.20
CC1(C)C[N@@H+](C2(CNC(=O)NCCCCCC(=O)[O-])CCCCC2)CCO1	REAL300013702035	0	64	0.0	-71.17	445.52	7.78	-63.39
CC1(C)C[N@H+](C2(CNC(=O)NCCCCCC(=O)[O-])CCCCC2)CCO1	REAL300013702035	1	64	0.0	-71.52	445.37	7.77	-63.75
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCCCCC(=O)[O-])CCC1	REAL300013702058	0	57	0.0	-71.01	428.32	9.76	-61.25
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCCCCC(=O)[O-])CCC1	REAL300013702058	1	57	0.0	-72.99	430.04	9.32	-63.67
O=C([O-])CCCCCNC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300013702081	0	55	0.0	-79.36	414.49	6.29	-73.07
O=C([O-])CCCCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1	REAL300013702087	0	55	0.0	-79.81	405.92	7.86	-71.95
CN1CC[NH+](CCCCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013702090	0	55	0.0	-75.87	419.96	5.18	-70.69
C[NH+]1CCN(CCCCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013702090	1	55	0.0	-74.92	420.35	5.30	-69.62
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013702100	1	54	0.0	-76.80	407.91	10.45	-66.35
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013702100	1	54	0.0	-76.68	409.69	10.66	-66.02
O=C([O-])CCCCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300013702120	0	61	0.0	-73.08	433.91	7.48	-65.60
CC[N@@H+]1CCC2CCC(C1)N2C(=O)NCCCCCC(=O)[O-]	REAL300013702136	0	51	0.0	-67.58	370.84	8.95	-58.63
CC[N@H+]1CCC2CCC(C1)N2C(=O)NCCCCCC(=O)[O-]	REAL300013702136	1	51	0.0	-70.66	369.59	8.99	-61.67
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCCCCCC(=O)[O-]	REAL300013702147	0	55	0.0	-72.02	433.62	10.21	-61.81
C[NH+](C)CCN(CC1=CC=CS1)C(=O)NCCCCCC(=O)[O-]	REAL300013702149	0	50	0.0	-76.65	408.43	9.82	-66.83
C[NH+]1CCC2(CCCN2C(=O)NCCCCCC(=O)[O-])CC1	REAL300013702185	0	51	0.0	-56.69	363.53	7.85	-48.84
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013702199	0	54	0.0	-75.41	396.98	6.38	-69.03
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013702199	1	54	0.0	-74.94	395.28	6.11	-68.83
O=C([O-])CCCCCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300013702225	0	55	0.0	-72.49	406.28	7.84	-64.65
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCCC(=O)[O-]	REAL300013702228	0	60	0.0	-75.56	448.23	10.51	-65.05
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCCC(=O)[O-]	REAL300013702228	1	60	0.0	-77.27	446.98	10.81	-66.46
C[NH+](C)CCCC(C)(C)NC(=O)NCCCCCC(=O)[O-]	REAL300013702246	0	52	0.0	-77.33	388.39	6.83	-70.50
C[C@@H]1CN(C(=O)NCCCCCC(=O)[O-])C[C@H](C)[N@H+]1CCO	REAL300013702250	0	51	0.0	-70.63	370.48	4.74	-65.89
C[C@@H]1CN(C(=O)NCCCCCC(=O)[O-])C[C@H](C)[N@@H+]1CCO	REAL300013702250	1	51	0.0	-72.18	371.06	4.18	-68.00
CC1CN(C(=O)NCCCCCC(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300013702263	0	57	0.0	-75.82	425.02	11.37	-64.45
CC1CN(C(=O)NCCCCCC(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013702263	1	57	0.0	-72.56	424.95	11.23	-61.33
C[NH+](C)CCN(CC1CCCCC1)C(=O)NCCCCCC(=O)[O-]	REAL300013702270	0	59	0.0	-77.10	437.13	10.70	-66.40
C[NH+](C)CCCCCCCNC(=O)NCCCCCC(=O)[O-]	REAL300013702271	0	55	0.0	-75.18	426.34	8.20	-66.98
COCC[N@@H+]1CCC(NC(=O)NCCCCCC(=O)[O-])C1	REAL300013702272	0	48	0.0	-74.51	373.62	4.97	-69.54
COCC[N@H+]1CCC(NC(=O)NCCCCCC(=O)[O-])C1	REAL300013702272	1	48	0.0	-73.57	375.37	4.62	-68.95
O=C([O-])CCCCCNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1	REAL300013702284	0	55	0.0	-77.60	395.85	8.01	-69.59
O=C([O-])CCCCCNC(=O)N1CCC[N@H+](C2CCOCC2)CC1	REAL300013702284	1	55	0.0	-77.50	395.86	8.01	-69.49
CC1CC(N(C)C(=O)NCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013702286	0	60	0.0	-73.91	448.17	11.67	-62.24
CC1CC(N(C)C(=O)NCCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013702286	1	60	0.0	-75.44	441.34	11.35	-64.09
O=C([O-])CCCCCNC(=O)N1CCCC([NH+]2CCCC2)CC1	REAL300013702288	0	54	0.0	-73.13	392.16	9.61	-63.52
O=C([O-])CCCCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1	REAL300013702291	0	54	0.0	-73.27	390.59	10.06	-63.21
O=C([O-])CCCCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1	REAL300013702291	1	54	0.0	-73.11	391.08	10.05	-63.06
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)NCCCCCC(=O)[O-]	REAL300013702296	1	59	0.0	-74.01	446.40	9.44	-64.57
CC(CNC(=O)NCCCCCC(=O)[O-])C[NH+]1CCOCC1	REAL300013702297	1	51	0.0	-76.80	388.73	5.36	-71.44
CC(C)C1CCC([NH+]2CCN(C(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013702302	0	63	0.0	-75.00	448.51	11.03	-63.97
CC(NC(=O)NCCCCCC(=O)[O-])C(C)(C)C[NH+](C)C	REAL300013702320	0	52	0.0	-76.05	376.48	7.07	-68.98
CN(CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)NCCCCCC(=O)[O-]	REAL300013702350	0	59	0.0	-74.46	447.42	8.97	-65.49
CC[N@H+](CCC1CCN(C(=O)NCCCCCC(=O)[O-])CC1)CC1CC1	REAL300013702361	0	63	0.0	-76.11	463.26	11.89	-64.22
CC[N@@H+](CCC1CCN(C(=O)NCCCCCC(=O)[O-])CC1)CC1CC1	REAL300013702361	1	63	0.0	-76.77	463.40	11.91	-64.86
CC1CN(C(=O)NCCCCCC(=O)[O-])CC[N@@H+]1CC(C)(C)O	REAL300013702380	0	54	0.0	-69.45	396.97	5.53	-63.92
CC1CN(C(=O)NCCCCCC(=O)[O-])CC[N@H+]1CC(C)(C)O	REAL300013702380	1	54	0.0	-73.88	393.12	6.20	-67.68
O=C([O-])CCCCCNC(=O)NCC[N@@H+]1CCCOCC1	REAL300013702391	0	48	0.0	-75.23	365.35	4.52	-70.71
O=C([O-])CCCCCNC(=O)NCC[N@H+]1CCCOCC1	REAL300013702391	1	48	0.0	-77.23	362.62	4.32	-72.91
C[NH+](C)CC(NC(=O)NCCCCCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013702418	0	50	0.0	-68.78	404.81	8.81	-59.97
C[C@H](O)C[NH+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013702419	1	48	0.0	-76.43	365.82	4.46	-71.97
C[C@@H](O)C[NH+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013702420	1	48	0.0	-76.07	365.67	4.46	-71.61
CC(O)C[N@@H+]1CCN(C(=O)NCCCCCC(=O)[O-])C(C)C1	REAL300013702421	0	51	0.0	-75.75	380.43	5.08	-70.67
CC(O)C[N@H+]1CCN(C(=O)NCCCCCC(=O)[O-])C(C)C1	REAL300013702421	1	51	0.0	-76.50	382.33	5.27	-71.23
CC1(C)CN(C(=O)NCCCCCC(=O)[O-])CC[N@@H+]1CCO	REAL300013702422	0	51	0.0	-70.99	373.02	4.73	-66.26
CC1(C)CN(C(=O)NCCCCCC(=O)[O-])CC[N@H+]1CCO	REAL300013702422	1	51	0.0	-71.63	371.48	5.03	-66.60
O=C([O-])CCCCCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1	REAL300013702442	0	58	0.0	-80.26	427.72	8.46	-71.80
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013702454	0	62	0.0	-68.71	414.21	9.86	-58.85
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCCCCCC(=O)[O-]	REAL300013702480	0	57	0.0	-76.63	439.24	6.27	-70.36
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCCCCCC(=O)[O-]	REAL300013702480	1	57	0.0	-77.50	437.84	6.28	-71.22
C[N@H+](CCCO)C1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013702481	0	54	0.0	-78.81	401.53	5.53	-73.28
C[N@@H+](CCCO)C1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013702481	1	54	0.0	-78.93	401.53	5.52	-73.41
C[NH+]1CCC(O)(CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013702489	0	48	0.0	-76.31	368.14	3.38	-72.93
COC1=CC(C[N@@H+]2CCC(NC(=O)NCCCCCC(=O)[O-])C2)=CC(OC)=C1	REAL300013702497	1	59	0.0	-79.93	460.96	7.10	-72.83
COC1=CC(C[N@H+]2CCC(NC(=O)NCCCCCC(=O)[O-])C2)=CC(OC)=C1	REAL300013702497	1	59	0.0	-79.93	461.07	7.13	-72.80
C[NH+](C)CCN(CC1=CC=CO1)C(=O)NCCCCCC(=O)[O-]	REAL300013702516	0	50	0.0	-80.48	393.83	8.67	-71.81
O=C([O-])CCCCCNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013702537	0	53	0.0	-74.76	409.84	6.05	-68.71
CC[N@H+](CCC1CCN(C(=O)NCCCCCC(=O)[O-])CC1)CC(C)C	REAL300013702551	0	65	0.0	-75.98	464.71	11.50	-64.48
CC[N@@H+](CCC1CCN(C(=O)NCCCCCC(=O)[O-])CC1)CC(C)C	REAL300013702551	1	65	0.0	-76.61	469.00	11.79	-64.82
COC(=O)CC[N@@H+]1CCN(C(=O)NCCCCCC(=O)[O-])C(C)C1	REAL300013702564	1	53	0.0	-82.92	404.39	8.28	-74.64
COC(=O)CC[N@H+]1CCN(C(=O)NCCCCCC(=O)[O-])C(C)C1	REAL300013702564	1	53	0.0	-82.69	406.33	8.49	-74.20
O=C([O-])CCCCCNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013702565	0	61	0.0	-76.38	474.10	9.78	-66.60
C[NH+](C)CCC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013702587	0	53	0.0	-78.59	421.65	8.76	-69.83
O=C([O-])CCCCCNC(=O)N1CCC([NH2+]C2CCS(=O)(=O)C2)CC1	REAL300013702597	0	54	0.0	-101.52	417.13	4.03	-97.49
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300013702625	0	58	0.0	-79.21	450.56	8.63	-70.58
C[N@@H+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1CC1=CC=CC=C1	REAL300013702633	1	54	0.0	-81.56	411.79	10.35	-71.21
C[N@H+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1CC1=CC=CC=C1	REAL300013702633	1	54	0.0	-81.33	410.77	10.33	-71.00
COC1=CC=C(C(C[NH+](C)C)NC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013702637	0	54	0.0	-69.90	422.09	7.49	-62.41
CC[NH+]1CCN(CC(C)(C)NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013702653	0	58	0.0	-73.47	422.34	7.15	-66.32
CCN1CC[NH+](CC(C)(C)NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013702653	1	58	0.0	-74.76	418.42	6.63	-68.13
CN(C(=O)NCCCCCC(=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1	REAL300013702667	0	53	0.0	-82.26	412.23	9.40	-72.86
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)NCCCCCC(=O)[O-]	REAL300013702688	0	57	0.0	-72.01	422.00	11.59	-60.42
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)NCCCCCC(=O)[O-]	REAL300013702688	1	57	0.0	-72.63	420.12	11.02	-61.61
O=C([O-])CCCCCNC(=O)NCC1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013702693	0	55	0.0	-76.43	430.49	5.88	-70.55
O=C([O-])CCCCCNC(=O)NCC1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013702693	1	55	0.0	-76.54	431.50	6.09	-70.45
CC(NC(=O)NCCCCCC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013702697	1	58	0.0	-78.12	447.39	8.30	-69.82
CC(NC(=O)NCCCCCC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013702697	1	58	0.0	-76.29	438.87	8.20	-68.09
C[NH+](C)CCN(CC1CCCO1)C(=O)NCCCCCC(=O)[O-]	REAL300013702708	0	54	0.0	-79.56	413.25	8.39	-71.17
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCCCCCC(=O)[O-]	REAL300013702711	1	59	0.0	-78.72	447.66	8.23	-70.49
CC(C)C[N@@H+]1CCC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013702731	0	53	0.0	-74.36	404.05	7.56	-66.80
CC(C)C[N@H+]1CCC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013702731	1	53	0.0	-74.70	403.87	7.46	-67.24
CC1CC(NC(=O)NCCCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013702742	0	54	0.0	-74.74	414.96	8.67	-66.07
CC1CC(NC(=O)NCCCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013702742	1	54	0.0	-73.74	420.11	9.00	-64.74
C[NH+](C)CCN(C(=O)NCCCCCC(=O)[O-])C1CCCC1	REAL300013702747	0	53	0.0	-72.11	391.69	10.21	-61.90
CC(C)CC(CNC(=O)NCCCCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013702748	0	62	0.0	-77.71	468.87	9.45	-68.26
CCCC1CN(C(=O)NCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013702765	0	60	0.0	-74.82	449.29	11.69	-63.13
CCCC1CN(C(=O)NCCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013702765	1	60	0.0	-74.90	449.30	11.70	-63.20
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013702766	0	53	0.0	-76.76	414.36	9.16	-67.60
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013702766	1	53	0.0	-78.14	414.22	9.13	-69.01
CCCN(CCC[NH+](C)C)C(=O)NCCCCCC(=O)[O-]	REAL300013702780	0	52	0.0	-72.01	401.29	9.23	-62.78
CCN(CCC[NH+](CC)CC)C(=O)NCCCCCC(=O)[O-]	REAL300013702786	0	55	0.0	-69.59	411.46	9.71	-59.88
CCN(CCC[NH+]1CCCC1)C(=O)NCCCCCC(=O)[O-]	REAL300013702787	0	53	0.0	-70.56	401.72	9.52	-61.04
CO[C@H]1C[C@@H](CN(C)C(=O)NCCCCCC(=O)[O-])[N@H+](C)C1	REAL300013702801	0	51	0.0	-69.97	384.15	7.41	-62.56
CO[C@H]1C[C@@H](CN(C)C(=O)NCCCCCC(=O)[O-])[N@@H+](C)C1	REAL300013702801	1	51	0.0	-76.36	384.07	6.28	-70.08
CC(NC(=O)NCCCCCC(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013702804	0	53	0.0	-72.87	400.01	8.61	-64.26
CC1=CC=CC=C1C(C(C)NC(=O)NCCCCCC(=O)[O-])[NH+](C)C	REAL300013702805	0	56	0.0	-72.31	411.90	9.42	-62.89
CCC[N@H+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013702808	0	56	0.0	-76.33	437.96	9.43	-66.90
CCC[N@@H+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013702808	1	56	0.0	-76.38	438.28	9.44	-66.94
O=C([O-])CCCCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300013702843	1	56	0.0	-75.78	399.06	4.90	-70.88
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013702860	1	57	0.0	-71.60	448.93	10.57	-61.03
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013702860	1	57	0.0	-73.66	450.86	9.91	-63.75
CC1=[NH+]C=CN1CCCCNC(=O)NCCCCCC(=O)[O-]	REAL300013702862	1	48	0.0	-71.00	388.95	7.41	-63.59
C[NH+](C)C1(CNC(=O)NCCCCCC(=O)[O-])CC2=CC=CC=C2C1	REAL300013702864	0	54	0.0	-72.94	405.51	8.48	-64.46
CC(C)(O)C[NH+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013702903	0	51	0.0	-75.73	380.65	5.59	-70.14
O=C([O-])CCCCCNC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013702945	0	58	0.0	-71.47	425.89	5.52	-65.95
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCCCCCC(=O)[O-])=C1	REAL300013702984	0	57	0.0	-76.50	441.01	9.80	-66.70
CCC(C)[NH2+]C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CO1	REAL300013703014	0	53	0.0	-73.19	415.05	6.46	-66.73
CN(CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)NCCCCCC(=O)[O-]	REAL300013703019	0	62	0.0	-74.25	469.85	9.49	-64.76
C[NH+](C)CCN(CC1=CSC=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013703042	0	50	0.0	-74.90	405.15	9.72	-65.18
COCCC[N@H+](C)CCNC(=O)NCCCCCC(=O)[O-]	REAL300013703084	0	50	0.0	-77.43	391.75	4.78	-72.65
COCCC[N@@H+](C)CCNC(=O)NCCCCCC(=O)[O-]	REAL300013703084	1	50	0.0	-77.42	391.75	4.79	-72.63
CC(CNC(=O)NCCCCCC(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013703096	0	55	0.0	-72.86	413.85	5.17	-67.69
CC(CNC(=O)NCCCCCC(=O)[O-])CN1CC[NH+](C)CC1	REAL300013703096	1	55	0.0	-75.17	417.34	5.59	-69.58
CCN1CC[NH+](CC(C)CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013703097	0	58	0.0	-72.82	431.99	5.98	-66.84
CC[NH+]1CCN(CC(C)CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013703097	1	58	0.0	-73.93	435.08	6.27	-67.66
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013703098	0	62	0.0	-74.93	477.79	10.82	-64.11
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013703098	1	62	0.0	-75.00	478.07	10.81	-64.19
CC(C)[NH+]1CCC(O)(CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013703109	0	54	0.0	-73.46	402.47	4.49	-68.97
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCCCCCC(=O)[O-]	REAL300013703120	0	60	0.0	-77.58	451.10	10.03	-67.55
CCC(NC(=O)NCCCCCC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013703121	1	61	0.0	-76.28	452.25	8.57	-67.71
CCC(NC(=O)NCCCCCC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013703121	1	61	0.0	-77.51	453.51	8.44	-69.07
CN(CCCN1CC[NH+](C)CC1)C(=O)NCCCCCC(=O)[O-]	REAL300013703136	0	55	0.0	-72.16	416.21	6.91	-65.25
CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCCCCC(=O)[O-]	REAL300013703136	1	55	0.0	-71.83	415.31	6.75	-65.08
C[N@@H+]1CCC2C(CCCN2C(=O)NCCCCCC(=O)[O-])C1	REAL300013703137	0	51	0.0	-71.67	365.23	8.10	-63.57
C[N@H+]1CCC2C(CCCN2C(=O)NCCCCCC(=O)[O-])C1	REAL300013703137	1	51	0.0	-71.71	365.23	8.09	-63.62
CC(NC(=O)NCCCCCC(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013703143	0	57	0.0	-76.03	441.92	9.91	-66.12
CC(NC(=O)NCCCCCC(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013703143	1	57	0.0	-78.41	440.41	9.64	-68.77
O=C([O-])CCCCCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300013703156	0	61	0.0	-79.26	449.22	9.24	-70.02
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013703172	0	60	0.0	-68.39	452.48	11.32	-57.07
CC(C)(CNC(=O)NCCCCCC(=O)[O-])C[NH+]1CCCC1	REAL300013703183	0	53	0.0	-73.27	388.01	7.51	-65.76
CC[N@H+](CCNC(=O)NCCCCCC(=O)[O-])CCC(F)(F)F	REAL300013703199	0	49	0.0	-80.02	389.72	6.50	-73.52
CC[N@@H+](CCNC(=O)NCCCCCC(=O)[O-])CCC(F)(F)F	REAL300013703199	1	49	0.0	-80.66	394.18	6.77	-73.89
CCCN(CC[NH+]1CCCC1)C(=O)NCCCCCC(=O)[O-]	REAL300013703203	0	53	0.0	-69.68	405.75	9.63	-60.05
CC1CC([NH+]2CCCC2)CN1C(=O)NCCCCCC(=O)[O-]	REAL300013703209	0	51	0.0	-76.46	383.72	8.47	-67.99
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013703212	0	51	0.0	-79.91	404.36	9.42	-70.49
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013703212	1	51	0.0	-80.57	403.94	9.54	-71.03
O=C([O-])CCCCCNC(=O)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013703213	0	58	0.0	-79.70	442.92	11.12	-68.58
O=C([O-])CCCCCNC(=O)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013703213	1	58	0.0	-80.09	442.68	11.13	-68.96
CN(C(=O)NCCCCCC(=O)[O-])C1CC2CCC(C1)[NH+]2C	REAL300013703218	0	51	0.0	-74.66	370.30	8.18	-66.48
CCCN(CC[NH+]1CCCCC1)C(=O)NCCCCCC(=O)[O-]	REAL300013703219	0	56	0.0	-68.88	416.94	10.16	-58.72
COCC[NH+](CCOC)C1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013703226	0	61	0.0	-72.96	443.30	7.33	-65.63
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCCCCCC(=O)[O-])C2	REAL300013703229	0	58	0.0	-78.72	431.13	6.43	-72.29
C[N@@H+]1CC2CN(C(=O)NCCCCCC(=O)[O-])CC2C1C1=CC=CC=C1	REAL300013703271	0	55	0.0	-80.18	414.04	10.24	-69.94
C[N@H+]1CC2CN(C(=O)NCCCCCC(=O)[O-])CC2C1C1=CC=CC=C1	REAL300013703271	1	55	0.0	-79.45	420.19	10.62	-68.83
O=C([O-])CCCCCNC(=O)NC1CCCCC1[NH+]1CCOCC1	REAL300013703288	1	55	0.0	-72.93	403.39	6.87	-66.06
CC1CCCC[N@@H+]1CCC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013703292	0	63	0.0	-75.83	446.38	11.05	-64.78
CC1CCCC[N@H+]1CCC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013703292	1	63	0.0	-75.07	446.35	11.04	-64.03
CC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013703327	1	53	0.0	-67.33	406.89	7.69	-59.64
CC(NC(=O)NCCCCCC(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300013703329	0	57	0.0	-73.85	425.44	9.00	-64.85
CC(NC(=O)NCCCCCC(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300013703329	1	57	0.0	-70.45	418.42	8.99	-61.46
O=C([O-])CCCCCNC(=O)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1	REAL300013703332	0	58	0.0	-71.00	411.65	10.66	-60.34
O=C([O-])CCCCCNC(=O)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1	REAL300013703332	1	58	0.0	-71.74	425.78	11.22	-60.52
O=C([O-])CCCCCNC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300013703333	0	55	0.0	-71.05	430.22	5.99	-65.06
O=C([O-])CCCCCNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300013703333	1	55	0.0	-68.95	426.44	6.61	-62.34
CC[NH+](CC)CCCC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013703348	0	62	0.0	-75.15	447.69	10.89	-64.26
O=C([O-])CCCCCNC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300013703360	1	55	0.0	-74.87	429.39	9.97	-64.90
O=C([O-])CCCCCNC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300013703360	1	55	0.0	-75.46	429.46	9.98	-65.48
O=C([O-])CCCCCNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300013703362	0	58	0.0	-76.70	442.63	8.27	-68.43
O=C([O-])CCCCCNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300013703362	1	58	0.0	-77.00	443.20	8.22	-68.78
CC1C[N@H+](CCCNC(=O)NCCCCCC(=O)[O-])CCCO1	REAL300013703385	0	54	0.0	-77.23	406.63	6.48	-70.75
CC1C[N@@H+](CCCNC(=O)NCCCCCC(=O)[O-])CCCO1	REAL300013703385	1	54	0.0	-76.00	407.50	6.04	-69.96
CN1CC[NH+](CC2CCN(C(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013703388	0	59	0.0	-78.15	431.32	7.70	-70.45
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)NCCCCCC(=O)[O-]	REAL300013703403	0	53	0.0	-74.78	417.06	9.32	-65.46
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)NCCCCCC(=O)[O-]	REAL300013703403	1	53	0.0	-74.25	415.99	9.24	-65.01
CC1C([NH+]2CCCC2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013703422	0	51	0.0	-74.47	381.65	8.39	-66.08
CCN(CC[NH+]1CCCCCC1)C(=O)NCCCCCC(=O)[O-]	REAL300013703425	0	56	0.0	-68.84	406.53	9.66	-59.18
CN(CCC1CCCC[N@@H+]1C)C(=O)NCCCCCC(=O)[O-]	REAL300013703428	0	53	0.0	-71.35	395.55	9.02	-62.33
CN(CCC1CCCC[N@H+]1C)C(=O)NCCCCCC(=O)[O-]	REAL300013703428	1	53	0.0	-68.72	394.96	9.03	-59.69
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013703435	0	57	0.0	-75.89	419.37	10.68	-65.21
C[N@@H+]1CCCC2CN(C(=O)NCCCCCC(=O)[O-])CCC21	REAL300013703470	0	51	0.0	-76.33	367.14	8.04	-68.29
C[N@H+]1CCCC2CN(C(=O)NCCCCCC(=O)[O-])CCC21	REAL300013703470	1	51	0.0	-75.53	374.27	8.46	-67.07
O=C([O-])CCCCCNC(=O)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013703471	0	61	0.0	-77.10	450.79	12.02	-65.08
O=C([O-])CCCCCNC(=O)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013703471	1	61	0.0	-75.47	440.04	11.44	-64.03
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013703483	0	55	0.0	-79.88	408.20	7.35	-72.53
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013703483	1	55	0.0	-77.03	411.00	7.67	-69.36
O=C([O-])CCCCCNC(=O)N1CC[NH+](C2CCCCC2)CC1	REAL300013703484	0	54	0.0	-74.88	389.14	9.04	-65.84
CC1=CC=[NH+]C(N2CCN(C(=O)NCCCCCC(=O)[O-])CC2)=C1	REAL300013703488	1	50	0.0	-69.49	386.35	7.78	-61.71
O=C([O-])CCCCCNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013703490	1	56	0.0	-81.23	446.01	7.60	-73.63
NC1=CN=[NH+]C(NNC(=O)NCCCCCC(=O)[O-])=C1Cl	REAL300013703497	0	38	0.0	-65.45	330.31	2.61	-62.84
O=C([O-])CCCCCNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300013703530	0	61	0.0	-77.60	461.39	10.64	-66.96
O=C([O-])CCCCCNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300013703530	1	61	0.0	-78.59	455.50	11.12	-67.47
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@@H+]1C1CC1	REAL300013703548	0	51	0.0	-70.22	380.62	7.20	-63.02
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@H+]1C1CC1	REAL300013703548	1	51	0.0	-70.00	381.60	7.14	-62.86
CC1(C)CCC[N@H+](CCNC(=O)NCCCCCC(=O)[O-])C1	REAL300013703566	0	53	0.0	-73.04	394.79	7.28	-65.76
CC1(C)CCC[N@@H+](CCNC(=O)NCCCCCC(=O)[O-])C1	REAL300013703566	1	53	0.0	-73.00	394.79	7.27	-65.73
C[NH+](C)CC(NC(=O)NCCCCCC(=O)[O-])C1=CC=C(F)C=C1	REAL300013703578	0	50	0.0	-69.67	394.49	8.36	-61.31
CC(C)OC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013703587	0	60	0.0	-77.09	456.18	9.69	-67.40
CC(C)CC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013703596	0	62	0.0	-74.42	471.16	10.60	-63.82
CC1C(NC(=O)NCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013703612	0	54	0.0	-74.64	414.68	8.65	-65.99
CC1C(NC(=O)NCCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013703612	1	54	0.0	-73.65	411.74	9.31	-64.34
C[N@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013703620	0	54	0.0	-77.05	417.85	10.20	-66.85
C[N@@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013703620	1	54	0.0	-77.93	417.79	10.21	-67.72
O=C([O-])CCCCCNC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300013703636	0	54	0.0	-75.57	407.41	8.20	-67.37
O=C([O-])CCCCCNC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300013703636	1	54	0.0	-75.78	407.15	8.19	-67.59
O=C([O-])CCCCCNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL300013703662	0	58	0.0	-72.59	439.24	6.67	-65.92
O=C([O-])CCCCCNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO	REAL300013703662	1	58	0.0	-72.57	439.19	6.67	-65.90
CC(NC(=O)NCCCCCC(=O)[O-])C1C[N@H+](C)CCO1	REAL300013703683	1	48	0.0	-76.13	364.58	4.75	-71.38
CC(NC(=O)NCCCCCC(=O)[O-])C1C[N@@H+](C)CCO1	REAL300013703683	1	48	0.0	-75.68	371.85	5.17	-70.51
CC(CCNC(=O)NCCCCCC(=O)[O-])[NH+]1CCCCC1	REAL300013703692	0	53	0.0	-73.04	395.36	7.31	-65.73
CC(C1CC[NH+](C)CC1)N(C)C(=O)NCCCCCC(=O)[O-]	REAL300013703699	0	53	0.0	-73.18	393.00	9.31	-63.87
CC[NH+](CC)CCOCCNC(=O)NCCCCCC(=O)[O-]	REAL300013703712	0	53	0.0	-70.67	404.62	5.62	-65.05
CN1CC[NH+](CC2(C)CCN(C(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013703717	0	62	0.0	-75.70	438.51	7.86	-67.84
O=C([O-])CCCCCNC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300013703722	0	51	0.0	-73.61	386.70	7.46	-66.15
CC1=C[NH+]=CC=C1OC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013703737	1	52	0.0	-76.82	402.92	8.30	-68.52
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013703754	0	55	0.0	-76.62	398.53	7.43	-69.19
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013703754	1	55	0.0	-76.55	400.41	7.69	-68.86
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013703755	0	55	0.0	-76.32	400.31	7.68	-68.64
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013703755	1	55	0.0	-76.33	398.58	7.47	-68.86
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013703764	0	56	0.0	-75.74	445.71	6.59	-69.15
CN(C)CC[N@H+](C)CCCN(C)C(=O)NCCCCCC(=O)[O-]	REAL300013703767	0	57	0.0	-72.44	431.15	6.94	-65.50
CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCCCCCC(=O)[O-]	REAL300013703767	1	57	0.0	-72.92	431.03	6.92	-66.00
CN(CCCN(C)C(=O)NCCCCCC(=O)[O-])CC[NH+](C)C	REAL300013703767	1	57	0.0	-74.10	431.12	7.08	-67.02
CCCN(CC[NH+]1CCCCCC1)C(=O)NCCCCCC(=O)[O-]	REAL300013703768	0	59	0.0	-71.95	431.71	10.56	-61.39
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013703773	0	53	0.0	-78.13	414.18	9.13	-69.00
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013703773	1	53	0.0	-77.01	414.27	9.12	-67.89
CCCC[N@H+](C)C[C@H](C)NC(=O)NCCCCCC(=O)[O-]	REAL300013703788	0	52	0.0	-74.40	398.29	7.73	-66.67
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCCCCC(=O)[O-]	REAL300013703788	1	52	0.0	-74.74	398.30	7.74	-67.00
CCC[N@H+](C)CC1CCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013703819	0	53	0.0	-75.36	400.64	8.83	-66.53
CCC[N@@H+](C)CC1CCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013703819	1	53	0.0	-75.58	400.55	8.82	-66.76
O=C([O-])CCCCCNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013703827	0	54	0.0	-78.73	414.50	9.64	-69.09
O=C([O-])CCCCCNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013703827	1	54	0.0	-78.71	414.45	9.65	-69.06
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCCCCCC(=O)[O-]	REAL300013703839	0	57	0.0	-75.07	434.62	11.21	-63.86
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCCCCCC(=O)[O-]	REAL300013703839	1	57	0.0	-73.12	435.63	11.24	-61.88
CC(C)[NH+]1CCC(N2CCN(C(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013703848	0	62	0.0	-74.08	443.57	8.18	-65.90
CC[N@@H+]1CCC(N(C)C(=O)NCCCCCC(=O)[O-])C(C)C1	REAL300013703869	0	53	0.0	-74.88	392.46	9.23	-65.65
CC[N@H+]1CCC(N(C)C(=O)NCCCCCC(=O)[O-])C(C)C1	REAL300013703869	1	53	0.0	-62.98	373.24	8.25	-54.73
CC(C)C[N@@H+]1CCCC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013703873	0	56	0.0	-73.82	418.41	8.34	-65.48
CC(C)C[N@H+]1CCCC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013703873	1	56	0.0	-74.38	411.11	7.87	-66.51
O=C([O-])CCCCCNC(=O)N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300013703880	0	55	0.0	-74.14	399.01	9.38	-64.76
O=C([O-])CCCCCNC(=O)N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300013703880	1	55	0.0	-74.31	393.92	9.25	-65.06
CCC1CN(C(=O)NCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013703898	0	57	0.0	-74.47	427.82	10.92	-63.55
CCC1CN(C(=O)NCCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013703898	1	57	0.0	-74.46	428.26	10.94	-63.52
C[NH+](C)CC1(CNC(=O)NCCCCCC(=O)[O-])CCCC1	REAL300013703907	0	53	0.0	-72.36	386.99	7.74	-64.62
C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCCCCC(=O)[O-])C[C@H](C)O1	REAL300013703942	1	54	0.0	-71.48	405.52	7.72	-63.76
C[C@@H]1C[N@H+](CCN(C)C(=O)NCCCCCC(=O)[O-])C[C@H](C)O1	REAL300013703942	1	54	0.0	-71.43	411.78	7.66	-63.77
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCCCCC(=O)[O-]	REAL300013703943	1	54	0.0	-70.83	404.13	7.51	-63.32
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCCCCC(=O)[O-]	REAL300013703943	1	54	0.0	-71.05	404.38	7.51	-63.54
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCCCCC(=O)[O-]	REAL300013703960	0	52	0.0	-74.65	398.33	7.75	-66.90
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCCCCCC(=O)[O-]	REAL300013703960	1	52	0.0	-74.39	398.29	7.72	-66.67
CCCC[N@H+](C)CC(C)NC(=O)NCCCCCC(=O)[O-]	REAL300013703963	0	52	0.0	-74.63	398.39	7.75	-66.88
CCCC[N@@H+](C)CC(C)NC(=O)NCCCCCC(=O)[O-]	REAL300013703963	1	52	0.0	-74.78	398.29	7.74	-67.04
CC1=CC(CNC(=O)NCCCCCC(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013703972	1	53	0.0	-66.30	419.64	6.64	-59.66
CSC1(CNC(=O)NCCCCCC(=O)[O-])CC[NH+](C)CC1	REAL300013703974	0	51	0.0	-75.63	391.03	7.03	-68.60
CC1CCN(C(=O)NCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013703991	0	57	0.0	-73.26	422.51	11.45	-61.81
CC1CCN(C(=O)NCCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013703991	1	57	0.0	-74.99	421.68	10.88	-64.11
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCCCCCC(=O)[O-]	REAL300013703996	0	60	0.0	-72.84	456.84	12.22	-60.62
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCCCCCC(=O)[O-]	REAL300013703996	1	60	0.0	-77.33	458.25	12.17	-65.16
CC1=[NH+]C=CN1CCCN(C)C(=O)NCCCCCC(=O)[O-]	REAL300013704019	1	48	0.0	-66.74	385.08	9.03	-57.71
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013704034	0	56	0.0	-78.18	428.61	8.03	-70.15
CC1CC(CNC(=O)NCCCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013704037	0	57	0.0	-75.69	441.43	9.60	-66.09
CC1CC(CNC(=O)NCCCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013704037	1	57	0.0	-75.68	441.43	9.60	-66.08
CCCN(CC[NH+](CC)CC)C(=O)NCCCCCC(=O)[O-]	REAL300013704060	0	55	0.0	-68.68	415.49	9.82	-58.86
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCCCCCC(=O)[O-]	REAL300013704071	0	54	0.0	-76.00	422.00	9.10	-66.90
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCCCCCC(=O)[O-]	REAL300013704071	1	54	0.0	-75.41	419.05	9.49	-65.92
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013704095	0	53	0.0	-73.46	379.42	7.19	-66.27
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013704095	1	53	0.0	-71.98	379.12	8.29	-63.69
O=C([O-])CCCCCNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013704104	0	54	0.0	-77.41	423.24	9.03	-68.38
O=C([O-])CCCCCNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013704104	1	54	0.0	-77.41	423.61	9.03	-68.38
O=C([O-])CCCCCNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300013704117	0	55	0.0	-81.88	419.47	10.41	-71.47
O=C([O-])CCCCCNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300013704117	1	55	0.0	-81.48	422.07	10.57	-70.91
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013704123	0	60	0.0	-76.29	448.29	10.52	-65.77
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013704123	1	60	0.0	-76.60	448.80	10.44	-66.16
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCCCCC(=O)[O-]	REAL300013704130	0	52	0.0	-71.53	384.56	7.95	-63.58
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCCCCC(=O)[O-]	REAL300013704130	1	52	0.0	-72.21	390.12	7.34	-64.87
CCC[N@H+](CC)C[C@H](C)NC(=O)NCCCCCC(=O)[O-]	REAL300013704135	0	52	0.0	-72.02	394.76	7.65	-64.37
CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCCCCC(=O)[O-]	REAL300013704135	1	52	0.0	-72.36	394.47	7.64	-64.72
CC1CCCC[N@@H+]1CC1CCCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013704172	0	60	0.0	-70.93	431.46	10.76	-60.17
CC1CCCC[N@H+]1CC1CCCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013704172	1	60	0.0	-68.42	425.13	10.44	-57.98
CC(C)[N@@H+]1C2CCC1CN(C(=O)NCCCCCC(=O)[O-])CC2	REAL300013704196	0	54	0.0	-71.46	376.60	8.84	-62.62
CC(C)[N@H+]1C2CCC1CN(C(=O)NCCCCCC(=O)[O-])CC2	REAL300013704196	1	54	0.0	-64.94	385.62	9.37	-55.57
O=C([O-])CCCCCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1	REAL300013704198	0	58	0.0	-74.30	432.53	9.29	-65.01
O=C([O-])CCCCCNC(=O)N1CCC(C[NH+]2CCCC2)C1	REAL300013704204	0	51	0.0	-74.83	381.41	8.24	-66.59
C[N@H+](CC1CC1)CC1CCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013704210	0	54	0.0	-76.18	412.30	9.65	-66.53
C[N@@H+](CC1CC1)CC1CCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013704210	1	54	0.0	-76.14	412.43	9.64	-66.50
CC(C)[NH+](CCCNC(=O)NCCCCCC(=O)[O-])C(C)C	REAL300013704211	0	55	0.0	-71.50	401.64	7.10	-64.40
CC(C)OCC[NH+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013704213	1	54	0.0	-73.86	409.12	7.83	-66.03
CN(C(=O)NCCCCCC(=O)[O-])C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013704216	0	57	0.0	-78.72	421.04	11.59	-67.13
CN(C(=O)NCCCCCC(=O)[O-])C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013704216	1	57	0.0	-74.02	431.55	11.17	-62.85
CC(CCNC(=O)NCCCCCC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300013704225	0	56	0.0	-74.17	426.79	9.03	-65.14
CC(CCNC(=O)NCCCCCC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300013704225	1	56	0.0	-76.95	430.39	9.04	-67.91
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013704232	0	50	0.0	-78.23	403.56	9.33	-68.90
CC[NH+](CC)CCOC1CCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013704241	0	57	0.0	-73.26	431.57	8.31	-64.95
O=C([O-])CCCCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1	REAL300013704247	0	60	0.0	-75.81	442.28	10.96	-64.85
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCCCCC(=O)[O-]	REAL300013704252	1	57	0.0	-74.22	405.39	7.51	-66.71
CC1CC[NH+](C2CCC(NC(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013704265	0	60	0.0	-74.15	438.75	9.20	-64.95
CC1CC(CCNC(=O)NCCCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013704274	0	60	0.0	-75.26	462.31	10.28	-64.98
CC1CC(CCNC(=O)NCCCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013704274	1	60	0.0	-75.97	463.20	10.28	-65.69
C[NH+](C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013704276	0	60	0.0	-83.50	469.65	6.80	-76.70
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013704324	0	53	0.0	-80.64	429.32	8.91	-71.73
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013704325	0	59	0.0	-76.58	446.25	10.44	-66.14
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013704325	1	59	0.0	-78.87	448.47	10.45	-68.42
CC1CN(C(=O)NCCCCCC(=O)[O-])CC[N@@H+](C2CCC2)C1	REAL300013704379	0	54	0.0	-71.28	396.27	9.50	-61.78
CC1CN(C(=O)NCCCCCC(=O)[O-])CC[N@H+](C2CCC2)C1	REAL300013704379	1	54	0.0	-70.23	387.17	10.06	-60.17
O=C([O-])CCCCCNC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300013704395	0	54	0.0	-72.24	414.73	8.60	-63.64
O=C([O-])CCCCCNC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300013704395	1	54	0.0	-72.50	414.90	8.62	-63.88
O=C([O-])CCCCCNC(=O)NC(C[NH+]1CCCCC1)C1=CC=CC=C1	REAL300013704405	0	57	0.0	-74.87	437.84	10.63	-64.24
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCCCCCC(=O)[O-])=C1	REAL300013704413	0	56	0.0	-79.34	432.89	11.16	-68.18
C[NH+](C)CCOC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013704414	0	54	0.0	-73.70	408.91	7.91	-65.79
CN1CCC([N@@H+]2CCC(NC(=O)NCCCCCC(=O)[O-])C2)CC1	REAL300013704415	0	56	0.0	-74.85	419.59	5.43	-69.42
CN1CCC([N@H+]2CCC(NC(=O)NCCCCCC(=O)[O-])C2)CC1	REAL300013704415	1	56	0.0	-75.22	419.38	5.44	-69.78
C[NH+]1CCC(N2CCC(NC(=O)NCCCCCC(=O)[O-])C2)CC1	REAL300013704415	1	56	0.0	-74.77	412.55	5.12	-69.65
O=C([O-])CCCCCNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO	REAL300013704428	0	58	0.0	-74.35	439.67	6.53	-67.82
O=C([O-])CCCCCNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1CO	REAL300013704428	1	58	0.0	-75.72	444.40	7.01	-68.71
O=C([O-])CCCCCNC(=O)N1CCC2(C1)CCC[N@H+](CC1=CC=CC=C1)C2	REAL300013704430	0	61	0.0	-80.56	455.04	11.79	-68.77
O=C([O-])CCCCCNC(=O)N1CCC2(C1)CCC[N@@H+](CC1=CC=CC=C1)C2	REAL300013704430	1	61	0.0	-73.13	456.31	11.98	-61.15
O=C([O-])CCCCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300013704436	0	57	0.0	-73.04	417.92	8.60	-64.44
CC(C)OCC[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013704444	0	57	0.0	-72.73	434.36	7.11	-65.62
O=C([O-])CCCCCNC(=O)N1CC[NH+](C2CCOCC2)CC1	REAL300013704450	0	52	0.0	-76.58	383.91	6.90	-69.68
O=C([O-])CCCCCNC(=O)NCCCCCCC[NH+]1CCCC1	REAL300013704455	0	59	0.0	-74.10	452.31	9.38	-64.72
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)NCCCCCC(=O)[O-]	REAL300013704470	0	56	0.0	-78.97	419.49	10.08	-68.89
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)NCCCCCC(=O)[O-]	REAL300013704470	1	56	0.0	-77.49	419.81	10.02	-67.47
CN(C(=O)NCCCCCC(=O)[O-])C1CCCCC1[N@H+](C)C1CCN(C)CC1	REAL300013704474	0	68	0.0	-66.25	462.65	8.51	-57.74
CN(C(=O)NCCCCCC(=O)[O-])C1CCCCC1[N@@H+](C)C1CCN(C)CC1	REAL300013704474	1	68	0.0	-64.87	455.93	8.77	-56.10
O=C([O-])CCCCCNC(=O)N1CCN(C2=CC=[NH+]C=C2Cl)CC1	REAL300013704477	1	47	0.0	-76.32	385.31	7.03	-69.29
CC(CC[NH+]1CCN(C)CC1)NC(=O)NCCCCCC(=O)[O-]	REAL300013704515	0	55	0.0	-75.57	417.71	5.37	-70.20
CC(CCN1CC[NH+](C)CC1)NC(=O)NCCCCCC(=O)[O-]	REAL300013704515	1	55	0.0	-74.79	418.61	5.52	-69.27
CN1CC[NH+](CCC(C)(C)NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013704517	0	58	0.0	-77.77	424.49	5.29	-72.48
C[NH+]1CCN(CCC(C)(C)NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013704517	1	58	0.0	-75.70	425.39	5.44	-70.26
CCN(C(=O)NCCCCCC(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013704522	0	57	0.0	-66.63	434.29	11.50	-55.13
CCN(C(=O)NCCCCCC(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013704522	1	57	0.0	-66.58	433.79	11.28	-55.30
CN(C(=O)NCCCCCC(=O)[O-])C1CC[N@@H+](C2CCN(C)CC2)C1	REAL300013704523	0	59	0.0	-73.86	432.73	7.42	-66.44
CN(C(=O)NCCCCCC(=O)[O-])C1CC[N@H+](C2CCN(C)CC2)C1	REAL300013704523	1	59	0.0	-74.10	430.20	7.64	-66.46
CN(C(=O)NCCCCCC(=O)[O-])C1CCN(C2CC[NH+](C)CC2)C1	REAL300013704523	1	59	0.0	-76.40	431.89	7.34	-69.06
O=C([O-])CCCCCNC(=O)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300013704565	0	61	0.0	-77.83	454.97	11.62	-66.21
CCC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+](CC)CC)C=C1	REAL300013704568	0	62	0.0	-70.01	464.23	10.30	-59.71
O=C([O-])CCCCCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1	REAL300013704569	0	57	0.0	-79.76	429.75	4.90	-74.86
O=C([O-])CCCCCNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C2CCCCC21	REAL300013704577	0	61	0.0	-74.78	445.14	11.90	-62.88
O=C([O-])CCCCCNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C2CCCCC21	REAL300013704577	1	61	0.0	-74.29	434.66	11.32	-62.97
C[N@@H+]1CCCC(N2CCN(C(=O)NCCCCCC(=O)[O-])CC2)C1	REAL300013704600	0	56	0.0	-76.37	409.07	6.95	-69.42
C[N@H+]1CCCC(N2CCN(C(=O)NCCCCCC(=O)[O-])CC2)C1	REAL300013704600	1	56	0.0	-76.35	401.70	6.51	-69.84
CC1CCC([NH+]2CCN(C(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013704614	0	57	0.0	-74.56	413.51	9.90	-64.66
CCOCCC[N@@H+]1CCC(NC(=O)NCCCCCC(=O)[O-])C(C)C1	REAL300013704616	0	60	0.0	-78.21	451.66	8.21	-70.00
CCOCCC[N@H+]1CCC(NC(=O)NCCCCCC(=O)[O-])C(C)C1	REAL300013704616	1	60	0.0	-75.86	447.25	7.69	-68.17
O=C([O-])CCCCCNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300013704617	0	57	0.0	-79.58	431.30	4.06	-75.52
O=C([O-])CCCCCNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300013704617	1	57	0.0	-79.42	431.32	4.06	-75.36
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013704621	0	57	0.0	-73.09	433.46	9.80	-63.29
C[NH+](C)C1(CNC(=O)NCCCCCC(=O)[O-])CCSC1	REAL300013704632	0	48	0.0	-73.37	363.82	6.40	-66.97
O=C([O-])CCCCCNC(=O)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300013704641	0	55	0.0	-74.18	396.73	9.79	-64.39
CC[N@@H+]1CCC(N(C)C(=O)NCCCCCC(=O)[O-])CC1C	REAL300013704643	0	53	0.0	-62.26	362.08	8.12	-54.14
CC[N@H+]1CCC(N(C)C(=O)NCCCCCC(=O)[O-])CC1C	REAL300013704643	1	53	0.0	-70.10	378.48	8.62	-61.48
C[N@H+](CCNC(=O)NCCCCCC(=O)[O-])CC1=CC=C(F)C=C1	REAL300013704653	0	50	0.0	-83.34	401.92	7.96	-75.38
C[N@@H+](CCNC(=O)NCCCCCC(=O)[O-])CC1=CC=C(F)C=C1	REAL300013704653	1	50	0.0	-83.37	401.96	7.95	-75.42
C[NH+](C)CCCOC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013704654	0	57	0.0	-76.87	431.54	8.54	-68.33
O=C([O-])CCCCCNC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300013704660	0	54	0.0	-72.74	403.68	8.09	-64.65
C[NH+]1CCC(C2CCN(C(=O)NCCCCCC(=O)[O-])C2)CC1	REAL300013704663	0	54	0.0	-76.77	405.14	9.11	-67.66
CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCCCCCC(=O)[O-]	REAL300013704726	0	59	0.0	-77.77	418.79	8.14	-69.63
O=C([O-])CCCCCNC(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300013704746	0	57	0.0	-71.89	410.14	7.93	-63.96
O=C([O-])CCCCCNC(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300013704746	1	57	0.0	-72.21	406.96	9.15	-63.06
CC1(CNC(=O)NCCCCCC(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300013704751	0	57	0.0	-76.79	440.41	9.72	-67.07
CC1(CNC(=O)NCCCCCC(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013704751	1	57	0.0	-76.73	439.92	9.69	-67.04
C[N@@H+]1CCCC2(CCN(C(=O)NCCCCCC(=O)[O-])C2)C1	REAL300013704763	0	51	0.0	-79.45	378.53	8.40	-71.05
C[N@H+]1CCCC2(CCN(C(=O)NCCCCCC(=O)[O-])C2)C1	REAL300013704763	1	51	0.0	-75.61	378.36	8.30	-67.31
CC(C)C1=CC=C(C[NH+]2CCN(C(=O)NCCCCCC(=O)[O-])CC2)C=C1	REAL300013704769	1	60	0.0	-77.47	453.43	11.79	-65.68
O=C([O-])CCCCCNC(=O)NCCCCC[NH+]1CCCC1	REAL300013704772	0	53	0.0	-74.40	409.31	7.82	-66.58
O=C([O-])CCCCCNC(=O)NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL300013704787	0	55	0.0	-79.32	429.85	5.93	-73.39
O=C([O-])CCCCCNC(=O)NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1	REAL300013704787	1	55	0.0	-79.81	429.99	5.91	-73.90
COCC[NH+]1C2CCC1CC(N(C)C(=O)NCCCCCC(=O)[O-])C2	REAL300013704795	0	58	0.0	-65.68	398.21	6.42	-59.26
C[NH+](C)CCC(NC(=O)NCCCCCC(=O)[O-])C(C)(C)C	REAL300013704809	0	55	0.0	-77.36	406.05	7.65	-69.71
CC(C)[N@@H+]1CCOC(CN2CCN(C(=O)NCCCCCC(=O)[O-])CC2)C1	REAL300013704836	0	63	0.0	-75.13	461.29	6.90	-68.23
CC(C)[N@H+]1CCOC(CN2CCN(C(=O)NCCCCCC(=O)[O-])CC2)C1	REAL300013704836	1	63	0.0	-75.55	454.57	6.86	-68.69
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCCC(=O)[O-]	REAL300013704841	0	57	0.0	-78.18	433.48	10.34	-67.84
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCCC(=O)[O-]	REAL300013704841	1	57	0.0	-76.98	438.37	9.92	-67.06
C[NH+]1CCC(N(CC2=CC=CC=C2)C(=O)NCCCCCC(=O)[O-])CC1	REAL300013704843	0	57	0.0	-71.64	429.93	11.74	-59.90
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CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCCCCCC(=O)[O-]	REAL300013705033	1	58	0.0	-77.52	445.72	7.73	-69.79
CC1CC(NC(=O)NCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013705063	0	57	0.0	-73.90	435.21	9.62	-64.28
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CC1CN(C(=O)NCCCCCC(=O)[O-])CC1[NH+]1CCOCC1	REAL300013705086	1	52	0.0	-74.84	388.94	6.41	-68.43
CC1CN(C(=O)NCCCCCC(=O)[O-])CCC1[NH+]1CCN(C)CC1	REAL300013705103	0	59	0.0	-75.41	421.94	7.65	-67.76
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CCCC1CN(C(=O)NCCCCCC(=O)[O-])CC[N@H+]1CCOC	REAL300013705127	1	57	0.0	-73.67	418.48	8.17	-65.50
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CC(C)C[N@H+]1CCOC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013705217	1	54	0.0	-75.77	411.52	6.07	-69.70
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C[N@@H+]1CCN(C(=O)NCCCCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013705235	1	51	0.0	-79.57	380.20	9.04	-70.53
C[N@H+]1CCN(C(=O)NCCCCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013705235	1	51	0.0	-79.26	387.59	9.43	-69.83
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CC1CC[NH+](CCCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013705294	0	53	0.0	-75.50	402.38	7.55	-67.95
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CC1=CC=C(C[N@@H+]2CCCN(C(=O)NCCCCCC(=O)[O-])CC2)C=C1	REAL300013705417	0	57	0.0	-75.90	428.65	11.81	-64.09
CC1=CC=C(C[N@H+]2CCCN(C(=O)NCCCCCC(=O)[O-])CC2)C=C1	REAL300013705417	1	57	0.0	-75.96	428.76	11.80	-64.16
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COC1=CC=C(C[N@@H+]2CCCN(C(=O)NCCCCCC(=O)[O-])CC2)C=C1	REAL300013705432	0	58	0.0	-78.90	437.05	10.38	-68.52
COC1=CC=C(C[N@H+]2CCCN(C(=O)NCCCCCC(=O)[O-])CC2)C=C1	REAL300013705432	1	58	0.0	-79.48	436.83	10.41	-69.07
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CC1C[NH+](C(C)(C)CNC(=O)NCCCCCC(=O)[O-])CC(C)O1	REAL300013705448	1	57	0.0	-70.46	411.61	6.34	-64.12
C[NH+]1CCN(C2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=N2)CC1	REAL300013705475	0	55	0.0	-77.74	430.71	6.49	-71.25
CC1C[NH+](CCCNC(=O)NCCCCCC(=O)[O-])CC(C)O1	REAL300013705484	0	54	0.0	-78.33	415.13	6.01	-72.32
CC(C)C[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013705488	0	53	0.0	-73.11	398.54	7.67	-65.44
CC(C)C(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCOCC1	REAL300013705493	1	54	0.0	-74.41	393.74	6.30	-68.11
O=C([O-])CCCCCNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013705494	1	53	0.0	-69.97	412.37	6.99	-62.98
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CCC(CC)C(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCOCC1	REAL300013705498	0	60	0.0	-71.90	424.07	7.01	-64.89
CC(C)C(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCN(C)CC1	REAL300013705500	0	58	0.0	-69.10	421.00	5.41	-63.69
CC(C)C(CNC(=O)NCCCCCC(=O)[O-])N1CC[NH+](C)CC1	REAL300013705500	1	58	0.0	-71.44	419.34	6.61	-64.83
CC[NH+](CC)C(CNC(=O)NCCCCCC(=O)[O-])CC(C)C	REAL300013705501	0	58	0.0	-71.81	415.46	8.36	-63.45
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O=C([O-])CCCCCNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300013705508	0	54	0.0	-72.15	417.49	9.11	-63.04
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013705515	0	60	0.0	-71.09	473.99	11.35	-59.74
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CC(C)CN(CC[NH+](C)C)C(=O)NCCCCCC(=O)[O-]	REAL300013705533	0	52	0.0	-71.47	391.70	9.36	-62.11
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O=C([O-])CCCCCNC(=O)N1CCC([NH+]2CCCC2)CC1	REAL300013705544	0	51	0.0	-74.99	372.07	8.34	-66.65
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O=C([O-])CCCCCNC(=O)NCCC[NH+]1CCOCC1	REAL300013705561	1	48	0.0	-77.79	373.25	4.55	-73.24
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013705577	1	60	0.0	-75.96	445.66	9.74	-66.22
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013705577	1	60	0.0	-75.64	445.62	9.71	-65.93
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013705578	0	57	0.0	-75.22	423.70	11.77	-63.45
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013705578	1	57	0.0	-75.19	423.67	11.75	-63.44
O=C([O-])CCCCCNC(=O)NC1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300013705587	0	57	0.0	-78.68	440.60	9.97	-68.71
C[NH+](C)CCN1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013705588	0	55	0.0	-75.29	414.08	5.09	-70.20
CN(C)CC[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013705588	1	55	0.0	-74.95	414.64	4.98	-69.97
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CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013705590	0	57	0.0	-77.02	434.55	9.78	-67.24
CC1CC[NH+](CC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300013705592	0	60	0.0	-77.24	461.63	10.40	-66.84
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013705593	0	60	0.0	-74.40	457.41	10.26	-64.14
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013705593	1	60	0.0	-74.10	457.41	10.27	-63.83
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013705594	0	60	0.0	-66.38	444.38	10.20	-56.18
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013705594	1	60	0.0	-66.08	447.52	11.08	-55.00
CC1C[NH+](CC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)CC(C)O1	REAL300013705595	0	61	0.0	-79.33	474.06	8.81	-70.52
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)C1	REAL300013705596	0	60	0.0	-76.60	461.64	10.39	-66.21
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)C1	REAL300013705596	1	60	0.0	-76.64	461.58	10.37	-66.27
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013705597	0	60	0.0	-68.39	455.26	10.62	-57.77
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013705597	1	60	0.0	-67.64	452.52	11.30	-56.34
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013705598	0	56	0.0	-68.17	427.27	9.32	-58.85
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013705598	1	56	0.0	-67.36	422.93	9.83	-57.53
C[NH+](C)CCOC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013705599	0	54	0.0	-76.41	429.05	7.71	-68.70
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013705600	0	54	0.0	-75.74	429.05	7.70	-68.04
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300013705606	1	58	0.0	-85.72	454.68	7.78	-77.94
CC1CCN(C2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=[NH+]2)CC1	REAL300013705609	1	56	0.0	-68.96	433.14	7.57	-61.39
O=C([O-])CCCCCNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300013705610	1	50	0.0	-68.19	393.25	6.08	-62.11
O=C([O-])CCCCCNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300013705611	1	51	0.0	-72.33	403.42	4.55	-67.78
O=C([O-])CCCCCNC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013705614	0	54	0.0	-75.51	418.54	9.14	-66.37
CCN(CC)C1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=[NH+]1	REAL300013705641	1	52	0.0	-67.15	414.29	8.07	-59.08
C[NH+]1CCN(C2=CC(CNC(=O)NCCCCCC(=O)[O-])=CC=N2)CC1	REAL300013705642	0	55	0.0	-76.21	430.75	6.50	-69.71
O=C([O-])CCCCCNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013705643	1	56	0.0	-68.13	423.69	7.32	-60.81
CC1CN(C2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=[NH+]2)CCO1	REAL300013705644	1	54	0.0	-71.42	424.32	5.06	-66.36
O=C([O-])CCCCCNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013705645	1	53	0.0	-68.66	412.04	6.80	-61.86
O=C([O-])CCCCCNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300013705669	1	51	0.0	-74.41	406.06	4.83	-69.58
O=C([O-])CCCCCNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300013705670	0	54	0.0	-74.88	425.71	9.12	-65.76
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013705671	0	56	0.0	-73.88	435.35	9.28	-64.60
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013705685	0	56	0.0	-79.97	435.67	11.36	-68.61
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013705686	0	54	0.0	-86.01	438.01	11.11	-74.90
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013705723	0	60	0.0	-75.06	464.25	9.04	-66.02
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013705724	0	60	0.0	-69.55	459.36	8.81	-60.74
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=N2)CC1	REAL300013705726	0	58	0.0	-76.53	448.45	7.16	-69.37
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300013705727	0	62	0.0	-74.99	475.03	7.99	-67.00
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300013705727	1	62	0.0	-77.84	475.40	8.01	-69.83
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013705728	0	62	0.0	-68.98	470.76	9.05	-59.93
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013705728	1	62	0.0	-67.54	466.28	8.91	-58.63
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)C1	REAL300013705730	0	63	0.0	-76.92	482.41	10.97	-65.95
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013705731	0	63	0.0	-67.63	473.34	11.89	-55.74
O=C([O-])CCCCCNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1	REAL300013705741	1	57	0.0	-72.64	450.63	9.10	-63.54
O=C([O-])CCCCCNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300013705743	0	54	0.0	-74.23	430.45	10.29	-63.94
C[NH+]1CCN(C(=O)CCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013705744	1	51	0.0	-89.33	398.59	5.15	-84.18
CC[NH+](CC)C(CNC(=O)NCCCCCC(=O)[O-])C1=CSC=C1	REAL300013705748	0	53	0.0	-70.03	406.05	8.93	-61.10
CC(C)C(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCC(C)CC1	REAL300013705749	0	59	0.0	-70.79	425.25	9.34	-61.45
CC[NH+](CC)C(CNC(=O)NCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013705751	0	59	0.0	-70.11	437.44	9.49	-60.62
O=C([O-])CCCCCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	REAL300013705752	0	64	0.0	-84.62	482.37	8.71	-75.91
O=C([O-])CCCCCNC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300013705753	0	51	0.0	-78.56	398.68	8.31	-70.25
O=C([O-])CCCCCNC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300013705753	1	51	0.0	-78.50	398.68	8.31	-70.19
CN(C)C1=CC(CNC(=O)NCCCCCC(=O)[O-])=CC=[NH+]1	REAL300013705755	0	46	0.0	-68.57	371.60	6.15	-62.42
CN(C)C1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=[NH+]1	REAL300013705756	1	46	0.0	-67.88	370.67	6.17	-61.71
CCC(CNC(=O)NCCCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013705757	0	57	0.0	-74.32	425.52	10.26	-64.06
CCC(CNC(=O)NCCCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013705757	1	57	0.0	-74.69	424.43	10.31	-64.38
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1CCCCC1	REAL300013705758	0	56	0.0	-74.61	402.56	8.67	-65.94
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CSC=C1	REAL300013705760	0	47	0.0	-75.01	381.62	6.90	-68.11
CC(CNC(=O)NCCCCCC(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300013705761	0	53	0.0	-70.69	386.66	7.73	-62.96
CC(CNC(=O)NCCCCCC(=O)[O-])[N@H+]1CCCC(C)C1	REAL300013705761	1	53	0.0	-71.41	393.38	7.71	-63.70
C[N@H+](CCCNC(=O)NCCCCCC(=O)[O-])C1CCCCC1	REAL300013705762	0	56	0.0	-75.59	416.40	8.13	-67.46
C[N@@H+](CCCNC(=O)NCCCCCC(=O)[O-])C1CCCCC1	REAL300013705762	1	56	0.0	-75.58	416.39	8.12	-67.46
CC1CC(C)C[NH+](CCCNC(=O)NCCCCCC(=O)[O-])C1	REAL300013705764	0	56	0.0	-75.30	423.65	8.15	-67.15
O=C([O-])CCCCCNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300013705765	0	54	0.0	-79.65	420.18	9.10	-70.55
O=C([O-])CCCCCNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300013705765	1	54	0.0	-79.66	420.18	9.10	-70.56
O=C([O-])CCCCCNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013705768	0	54	0.0	-74.72	416.44	10.43	-64.29
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300013705771	0	50	0.0	-74.33	389.99	7.91	-66.42
CC(C)[NH+](CCNC(=O)NCCCCCC(=O)[O-])C(C)C	REAL300013705772	0	52	0.0	-69.89	380.19	6.30	-63.59
CN1CC[N@H+](CCCNC(=O)NCCCCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013705795	0	62	0.0	-76.76	461.47	7.31	-69.45
CN1CC[N@@H+](CCCNC(=O)NCCCCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013705795	1	62	0.0	-75.42	472.47	7.92	-67.50
C[N@@H+]1CCN(CCCNC(=O)NCCCCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013705795	1	62	0.0	-80.20	466.45	7.84	-72.36
C[N@H+]1CCN(CCCNC(=O)NCCCCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013705795	1	62	0.0	-80.04	467.48	7.99	-72.05
O=C([O-])CCCCCNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013705796	0	59	0.0	-80.65	450.78	7.89	-72.76
O=C([O-])CCCCCNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013705797	0	62	0.0	-77.51	475.11	8.04	-69.47
O=C([O-])CCCCCNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013705797	1	62	0.0	-78.49	475.13	8.09	-70.40
O=C([O-])CCCCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1	REAL300013705798	0	55	0.0	-80.00	406.11	7.86	-72.14
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013705805	0	66	0.0	-83.07	491.48	8.90	-74.17
C[NH+](C)C1(CNC(=O)NCCCCCC(=O)[O-])CCCCC1	REAL300013705854	0	53	0.0	-73.28	374.21	7.79	-65.49
CC1CC[NH+](CCCCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013705855	0	56	0.0	-75.51	423.88	8.33	-67.18
CC1CCCC[N@@H+]1CCCCNC(=O)NCCCCCC(=O)[O-]	REAL300013705856	0	56	0.0	-72.90	420.16	8.22	-64.68
CC1CCCC[N@H+]1CCCCNC(=O)NCCCCCC(=O)[O-]	REAL300013705856	1	56	0.0	-73.53	413.41	7.91	-65.62
CC1CCC[N@H+](CCCCNC(=O)NCCCCCC(=O)[O-])C1	REAL300013705857	0	56	0.0	-75.00	424.32	8.33	-66.67
CC1CCC[N@@H+](CCCCNC(=O)NCCCCCC(=O)[O-])C1	REAL300013705857	1	56	0.0	-74.98	424.34	8.33	-66.65
CCN1CC[NH+](CCCCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013705858	0	58	0.0	-75.96	438.09	5.96	-70.00
CC[NH+]1CCN(CCCCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013705858	1	58	0.0	-73.72	437.58	5.94	-67.78
CC1CC(C)C[NH+](CCCCNC(=O)NCCCCCC(=O)[O-])C1	REAL300013705860	0	59	0.0	-75.43	445.15	8.92	-66.51
CC(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013705877	1	59	0.0	-76.81	439.51	7.70	-69.11
O=C([O-])CCCCCNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300013705878	1	56	0.0	-82.39	435.71	7.15	-75.24
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCCCCCC(=O)[O-])CC2)=C1	REAL300013705880	0	62	0.0	-80.74	472.18	8.55	-72.19
CCCNC(=O)C[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013705881	1	57	0.0	-77.47	440.35	5.56	-71.91
C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013705883	1	58	0.0	-89.89	430.56	8.18	-81.71
C=CC[NH+](CC=C)C(CNC(=O)NCCCCCC(=O)[O-])C(C)C	REAL300013705896	0	57	0.0	-69.84	420.57	9.03	-60.81
COC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013705897	0	58	0.0	-74.94	445.39	8.32	-66.62
O=C([O-])CCCCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300013705898	0	60	0.0	-70.58	416.24	9.60	-60.98
COC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013705899	0	54	0.0	-77.11	419.50	7.22	-69.89
O=C([O-])CCCCCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013705918	0	54	0.0	-71.59	410.93	7.98	-63.61
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CO1	REAL300013705919	1	47	0.0	-73.88	373.08	6.46	-67.42
O=C([O-])CCCCCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013705923	0	58	0.0	-71.95	410.70	6.44	-65.51
COC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300013705924	0	61	0.0	-74.15	454.23	8.71	-65.44
COC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+](C)C)C=C1OC	REAL300013705933	0	58	0.0	-81.02	445.58	8.03	-72.99
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CS1	REAL300013705936	0	47	0.0	-74.45	374.47	6.68	-67.77
O=C([O-])CCCCCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300013705969	0	51	0.0	-72.20	393.60	7.20	-65.00
CC(C)(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCCCC1	REAL300013705978	0	53	0.0	-69.17	384.66	7.31	-61.86
COC1=CC=CC=C1C(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCCC1	REAL300013705986	0	58	0.0	-70.15	439.09	9.10	-61.05
CC1CC[NH+](C(CNC(=O)NCCCCCC(=O)[O-])C2=CC=CS2)CC1	REAL300013705987	0	57	0.0	-70.06	444.86	9.50	-60.56
CC[NH+](CC)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013705989	0	56	0.0	-74.03	423.84	9.44	-64.59
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013705990	0	53	0.0	-73.04	402.80	9.31	-63.73
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CC(F)=C1	REAL300013705993	0	50	0.0	-78.89	396.88	8.00	-70.89
CCC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013705994	0	56	0.0	-74.38	432.90	9.37	-65.01
O=C([O-])CCCCCNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013705997	0	59	0.0	-76.99	454.00	7.32	-69.67
C[NH+]1CCN(C(CNC(=O)NCCCCCC(=O)[O-])C2=CC=CS2)CC1	REAL300013705998	1	56	0.0	-73.81	436.17	6.38	-67.43
CC[NH+](CC)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300013705999	0	56	0.0	-70.55	416.18	9.02	-61.53
O=C([O-])CCCCCNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013706000	0	51	0.0	-71.90	399.67	7.73	-64.17
O=C([O-])CCCCCNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013706022	0	51	0.0	-76.98	400.01	8.34	-68.64
O=C([O-])CCCCCNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013706022	1	51	0.0	-77.60	402.42	8.53	-69.07
O=C([O-])CCCCCNC(=O)N1CC[NH+](CC2CCCO2)CC1	REAL300013706027	1	52	0.0	-73.52	390.45	7.37	-66.15
COC1=CC=CC(C(CNC(=O)NCCCCCC(=O)[O-])[NH+]2CCCC2)=C1	REAL300013706033	0	58	0.0	-71.81	436.40	7.99	-63.82
O=C([O-])CCCCCNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300013706034	0	54	0.0	-70.63	425.63	9.84	-60.79
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013706035	1	50	0.0	-74.28	398.57	8.64	-65.64
CC1=CC=CC(C[NH+]2CCN(C(=O)NCCCCCC(=O)[O-])CC2)=C1	REAL300013706037	1	54	0.0	-77.69	414.63	10.54	-67.15
CC1=CC=CC=C1C[NH+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013706045	1	54	0.0	-76.64	409.32	10.52	-66.12
C[NH+](C)CC1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013706065	0	50	0.0	-76.24	399.17	7.92	-68.32
C[NH+](C)C1(CNC(=O)NCCCCCC(=O)[O-])CCCCCC1	REAL300013706105	0	56	0.0	-73.21	387.10	7.85	-65.36
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)NCCCCCC(=O)[O-]	REAL300013706118	0	56	0.0	-69.88	437.24	10.96	-58.92
COCC[N@H+](C)CCCNC(=O)NCCCCCC(=O)[O-]	REAL300013706128	0	50	0.0	-74.89	390.67	4.93	-69.96
COCC[N@@H+](C)CCCNC(=O)NCCCCCC(=O)[O-]	REAL300013706128	1	50	0.0	-74.98	390.68	4.93	-70.05
CC[NH+](CC)CCN(CC(C)C)C(=O)NCCCCCC(=O)[O-]	REAL300013706138	0	58	0.0	-69.33	424.10	10.32	-59.01
CC(C)CC(C[NH+](C)C)NC(=O)NCCCCCC(=O)[O-]	REAL300013706141	0	52	0.0	-70.00	394.13	7.83	-62.17
COCC(C)(C)[NH+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013706170	0	54	0.0	-73.32	395.24	6.86	-66.46
O=C([O-])CCCCCNC(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300013706192	0	55	0.0	-76.63	421.52	10.51	-66.12
O=C([O-])CCCCCNC(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300013706192	1	55	0.0	-75.28	417.25	10.22	-65.06
CC1CN(C(=O)NCCCCCC(=O)[O-])C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300013706200	0	60	0.0	-71.73	431.30	11.33	-60.40
CC1CN(C(=O)NCCCCCC(=O)[O-])C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300013706200	1	60	0.0	-71.90	432.51	11.35	-60.55
CC(CNC(=O)NCCCCCC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013706207	1	54	0.0	-73.65	406.31	6.19	-67.46
CC(CNC(=O)NCCCCCC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013706207	1	54	0.0	-73.48	396.54	5.82	-67.66
CCC(C)(C)[NH+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013706217	0	53	0.0	-71.63	377.88	8.13	-63.50
CC(C)C[N@H+](C)CCCNC(=O)NCCCCCC(=O)[O-]	REAL300013706223	0	52	0.0	-75.44	397.01	7.21	-68.23
CC(C)C[N@@H+](C)CCCNC(=O)NCCCCCC(=O)[O-]	REAL300013706223	1	52	0.0	-75.63	397.22	7.19	-68.44
CC[N@H+](CCCNC(=O)NCCCCCC(=O)[O-])C1CCCCC1	REAL300013706248	0	59	0.0	-74.52	429.15	8.47	-66.05
CC[N@@H+](CCCNC(=O)NCCCCCC(=O)[O-])C1CCCCC1	REAL300013706248	1	59	0.0	-74.47	430.07	8.50	-65.97
CCCCC[N@H+](CCNC(=O)NCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013706250	0	62	0.0	-75.47	466.49	10.27	-65.20
CCCCC[N@@H+](CCNC(=O)NCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013706250	1	62	0.0	-75.46	466.54	10.27	-65.19
C[N@@H+]1CCN(C(=O)NCCCCCC(=O)[O-])C(CC2=CC=CC=C2)C1	REAL300013706251	1	54	0.0	-83.23	412.54	11.14	-72.09
C[N@H+]1CCN(C(=O)NCCCCCC(=O)[O-])C(CC2=CC=CC=C2)C1	REAL300013706251	1	54	0.0	-74.48	409.61	10.41	-64.07
O=C([O-])CCCCCNC(=O)NC1CCC[N@@H+]2CCCCC12	REAL300013706273	0	51	0.0	-72.77	381.70	7.53	-65.24
O=C([O-])CCCCCNC(=O)NC1CCC[N@H+]2CCCCC12	REAL300013706273	1	51	0.0	-73.57	377.51	8.08	-65.49
N#CC1=CC=CC(C[NH+]2CCC(NC(=O)NCCCCCC(=O)[O-])CC2)=C1	REAL300013706276	0	55	0.0	-88.60	439.34	9.53	-79.07
O=C([O-])CCCCCNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013706286	1	51	0.0	-77.47	393.19	9.86	-67.61
CC[NH+](CC)CCN(CC1=CC=C(Cl)C=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013706324	0	59	0.0	-78.83	464.29	12.37	-66.46
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCCCCC(=O)[O-]	REAL300013706338	0	53	0.0	-77.19	409.03	7.39	-69.80
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013706345	0	57	0.0	-79.83	440.26	11.05	-68.78
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013706345	1	57	0.0	-79.86	440.27	11.04	-68.82
O=C([O-])CCCCCNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013706349	0	56	0.0	-84.59	433.04	8.00	-76.59
CC[N@@H+]1CCCC(CN(C)C(=O)NCCCCCC(=O)[O-])C1C1=CN(C)N=C1	REAL300013706354	0	63	0.0	-71.89	458.22	9.16	-62.73
CC[N@H+]1CCCC(CN(C)C(=O)NCCCCCC(=O)[O-])C1C1=CN(C)N=C1	REAL300013706354	1	63	0.0	-71.11	467.68	9.81	-61.30
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCCCCCC(=O)[O-]	REAL300013706356	0	60	0.0	-73.89	448.08	6.19	-67.70
O=C([O-])CCCCCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1	REAL300013706364	0	58	0.0	-78.00	425.04	6.65	-71.35
O=C([O-])CCCCCNC(=O)NCC1=CC=C[NH+]=C1N1CCCC1	REAL300013706389	1	50	0.0	-71.22	385.50	7.11	-64.11
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013706415	0	60	0.0	-77.33	446.14	12.26	-65.07
CC(C)[C@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013706415	1	60	0.0	-76.76	437.41	11.00	-65.76
CC(C[NH+]1CCC(C)CC1)NC(=O)NCCCCCC(=O)[O-]	REAL300013706418	0	53	0.0	-73.80	400.10	8.06	-65.74
O=C([O-])CCCCCNC(=O)NC1(C[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300013706425	0	60	0.0	-80.49	450.04	8.82	-71.67
O=C([O-])CCCCCNC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300013706490	0	54	0.0	-73.97	402.90	7.95	-66.02
O=C([O-])CCCCCNC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300013706490	1	54	0.0	-73.39	402.11	7.85	-65.54
O=C([O-])CCCCCNC(=O)NCC1CC[NH+](CC2CC2)CC1	REAL300013706515	0	54	0.0	-76.11	411.07	8.46	-67.65
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013706520	1	59	0.0	-77.37	450.58	7.73	-69.64
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013706520	1	59	0.0	-78.54	443.53	7.49	-71.05
C[NH+](C)CCCC1CN(C(=O)NCCCCCC(=O)[O-])CCO1	REAL300013706525	0	54	0.0	-74.15	410.43	7.71	-66.44
O=C([O-])CCCCCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013706533	1	56	0.0	-74.82	411.68	6.51	-68.31
O=C([O-])CCCCCNC(=O)NC1CC[NH+](C2CCOC2)CC1	REAL300013706540	0	52	0.0	-76.73	393.15	5.54	-71.19
O=C([O-])CCCCCNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300013706563	0	61	0.0	-79.54	464.48	10.65	-68.89
O=C([O-])CCCCCNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300013706563	1	61	0.0	-78.68	464.36	10.53	-68.15
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCCCCCC(=O)[O-]	REAL300013706600	0	58	0.0	-75.88	441.07	8.39	-67.49
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCCCCCC(=O)[O-]	REAL300013706600	1	58	0.0	-75.20	441.93	8.31	-66.89
CC(C)[NH+]1CCC(CCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013706603	0	56	0.0	-72.42	412.77	7.77	-64.65
O=C([O-])CCCCCNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013706605	0	60	0.0	-76.28	458.62	10.38	-65.90
O=C([O-])CCCCCNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300013706611	1	51	0.0	-74.30	413.16	6.60	-67.70
CCC1([NH+]2CCOCC2)CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013706635	0	58	0.0	-73.79	404.08	7.57	-66.22
CCC1([NH+](C)C)CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013706648	0	53	0.0	-73.77	371.16	8.16	-65.61
CC1([NH+]2CCCC2)CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013706662	0	54	0.0	-72.20	383.43	8.61	-63.59
CCC1([NH+]2CCCC2)CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013706669	0	57	0.0	-71.16	397.69	9.28	-61.88
C[NH+](C)CC(NC(=O)NCCCCCC(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013706673	0	50	0.0	-70.69	420.07	9.21	-61.48
COCCN(CC1CC[NH+](C)CC1)C(=O)NCCCCCC(=O)[O-]	REAL300013706679	0	57	0.0	-77.05	427.37	8.91	-68.14
C[NH+]1CCC2(CCN(C(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013706681	0	54	0.0	-79.05	386.00	8.77	-70.28
CC1([NH+]2CCOCC2)CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013706683	0	55	0.0	-74.87	389.38	6.83	-68.04
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCCCCC(=O)[O-])C1	REAL300013706687	0	51	0.0	-76.09	386.52	4.29	-71.80
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCCCCCC(=O)[O-])C1	REAL300013706687	1	51	0.0	-75.77	388.55	4.10	-71.67
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013706696	0	57	0.0	-77.35	444.25	9.66	-67.69
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013706696	1	57	0.0	-77.41	438.47	9.43	-67.98
O=C([O-])CCCCCNC(=O)NC1CCCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013706706	0	60	0.0	-77.26	438.98	10.25	-67.01
O=C([O-])CCCCCNC(=O)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013706706	1	60	0.0	-75.98	441.01	10.27	-65.71
C[NH+]1CCC(N2C=C(NC(=O)NCCCCCC(=O)[O-])C=N2)CC1	REAL300013706727	0	51	0.0	-86.41	397.45	6.74	-79.67
O=C([O-])CCCCCNC(=O)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013706789	0	57	0.0	-73.05	431.58	10.03	-63.02
O=C([O-])CCCCCNC(=O)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013706789	1	57	0.0	-71.83	422.49	9.36	-62.47
O=C([O-])CCCCCNC(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013706799	0	57	0.0	-71.81	422.49	9.36	-62.45
O=C([O-])CCCCCNC(=O)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013706799	1	57	0.0	-72.52	431.40	10.01	-62.51
CN1CC[NH+](C2CCN(C(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013706801	0	56	0.0	-75.11	409.13	6.75	-68.36
C[NH+]1CCN(C2CCN(C(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013706801	1	56	0.0	-76.21	409.32	6.90	-69.31
C[N@@H+]1CC2=CC=CC=C2C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013706804	1	48	0.0	-74.30	381.28	7.80	-66.50
C[N@H+]1CC2=CC=CC=C2C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013706804	1	48	0.0	-74.28	381.28	7.81	-66.47
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013706812	1	58	0.0	-76.33	440.94	8.09	-68.24
CC1=CC=CC=C1C[N@H+]1CCOC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013706812	1	58	0.0	-77.60	447.57	8.21	-69.39
C[NH+](C)C1(C)CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013706817	0	53	0.0	-73.99	381.58	6.75	-67.24
CC1=CC=C(C[N@@H+]2CCC(NC(=O)NCCCCCC(=O)[O-])C2)C=C1	REAL300013706837	0	54	0.0	-77.37	423.05	9.12	-68.25
CC1=CC=C(C[N@H+]2CCC(NC(=O)NCCCCCC(=O)[O-])C2)C=C1	REAL300013706837	1	54	0.0	-77.61	423.79	9.20	-68.41
CO[C@H]1C[C@@H](CNC(=O)NCCCCCC(=O)[O-])N(C2=CC(C)=[NH+]C=N2)C1	REAL300013706849	1	56	0.0	-73.14	440.01	6.37	-66.77
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013706850	0	60	0.0	-67.62	448.71	12.01	-55.61
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013706850	1	60	0.0	-67.75	429.83	11.41	-56.34
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCCCCCC(=O)[O-]	REAL300013706852	0	59	0.0	-74.86	433.34	10.66	-64.20
CN1CCN(C(=O)NCCCCCC(=O)[O-])CC2=CC=C[NH+]=C21	REAL300013706866	1	47	0.0	-67.98	363.05	7.17	-60.81
CN(CCCC[NH+]1CCCCC1)C(=O)NCCCCCC(=O)[O-]	REAL300013706885	0	56	0.0	-71.78	420.66	10.11	-61.67
O=C([O-])CCCCCNC(=O)NC1CCC[N@H+](CCN2CCOCC2)C1	REAL300013706887	0	60	0.0	-79.20	447.96	4.67	-74.53
O=C([O-])CCCCCNC(=O)NC1CCC[N@@H+](CCN2CCOCC2)C1	REAL300013706887	1	60	0.0	-79.10	447.96	4.66	-74.44
CCC1=CC=C(C[NH+]2CCN(C(=O)NCCCCCC(=O)[O-])CC2)C=C1	REAL300013706906	1	57	0.0	-77.45	436.10	11.30	-66.15
C[NH+]1CCN(C2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300013706910	0	56	0.0	-78.50	432.94	7.11	-71.39
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013706912	1	54	0.0	-74.24	408.21	10.50	-63.74
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013706913	0	58	0.0	-78.15	411.38	5.76	-72.39
CCC1([NH+]2CCCCC2)CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013706921	0	60	0.0	-71.06	412.91	9.99	-61.07
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NCCCCCC(=O)[O-])CC2)C[C@H](C)O1	REAL300013706936	0	64	0.0	-80.64	464.12	10.02	-70.62
C[C@@H]1C[N@H+](CCC2CCN(C(=O)NCCCCCC(=O)[O-])CC2)C[C@H](C)O1	REAL300013706936	1	64	0.0	-80.09	470.14	9.97	-70.12
C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCCCCCC(=O)[O-])CC2)C[C@H](C)O1	REAL300013706941	0	61	0.0	-79.41	442.34	9.41	-70.00
C[C@@H]1C[N@H+](CC2CCN(C(=O)NCCCCCC(=O)[O-])CC2)C[C@H](C)O1	REAL300013706941	1	61	0.0	-80.27	448.47	9.37	-70.90
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013706951	0	60	0.0	-72.56	437.73	11.32	-61.24
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)NCCCCCC(=O)[O-]	REAL300013706951	1	60	0.0	-72.25	449.47	11.71	-60.54
CC1([NH+]2CCCCC2)CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013707012	0	57	0.0	-72.33	398.51	9.28	-63.05
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCCCCC(=O)[O-])CCCCC1	REAL300013707014	0	63	0.0	-72.26	451.28	11.41	-60.85
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCCCCC(=O)[O-])CCCCC1	REAL300013707014	1	63	0.0	-73.41	454.40	10.59	-62.82
C[C@]12CN(C(=O)NCCCCCC(=O)[O-])C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300013707016	0	58	0.0	-82.69	443.53	11.03	-71.66
C[C@]12CN(C(=O)NCCCCCC(=O)[O-])C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300013707016	1	58	0.0	-73.34	443.71	11.07	-62.27
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCCCCC(=O)[O-])CCOCC1	REAL300013707044	0	61	0.0	-74.04	443.03	9.05	-64.99
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCCCCC(=O)[O-])CCOCC1	REAL300013707044	1	61	0.0	-74.80	443.41	8.93	-65.87
CCOC(CNC(=O)NCCCCCC(=O)[O-])C[NH+](C)C	REAL300013707049	0	50	0.0	-75.53	389.78	5.27	-70.26
CC[N@@H+]1CCCN(C(=O)NCCCCCC(=O)[O-])CCOCC1	REAL300013707088	0	54	0.0	-69.78	394.76	7.50	-62.28
CC[N@H+]1CCCN(C(=O)NCCCCCC(=O)[O-])CCOCC1	REAL300013707088	1	54	0.0	-73.09	386.88	7.65	-65.44
O=C([O-])CCCCCNC(=O)NC1CCC[N@@H+]2CCSCC12	REAL300013707097	0	49	0.0	-77.73	376.74	7.79	-69.94
O=C([O-])CCCCCNC(=O)NC1CCC[N@H+]2CCSCC12	REAL300013707097	1	49	0.0	-76.95	381.15	7.26	-69.69
CN(C)C1=CC=[NH+]C(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013707120	0	46	0.0	-67.31	370.38	4.99	-62.32
CC1([NH+]2CCCC2)CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013707144	0	57	0.0	-72.76	403.78	8.30	-64.46
CCC1([NH+]2CCC2)CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013707148	0	54	0.0	-72.78	376.43	8.07	-64.71
O=C([O-])CCCCCNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300013707153	0	58	0.0	-79.59	435.06	11.59	-68.00
O=C([O-])CCCCCNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300013707153	1	58	0.0	-78.93	434.88	11.06	-67.87
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013707166	0	50	0.0	-73.78	379.41	6.63	-67.15
C[NH+](C)CCC(NC(=O)NCCCCCC(=O)[O-])C1=CC=CN=C1	REAL300013707185	0	52	0.0	-79.75	413.74	7.56	-72.19
CC1=CC=C(NCCNC(=O)NCCCCCC(=O)[O-])[NH+]=C1	REAL300013707208	1	46	0.0	-69.54	375.35	5.16	-64.38
CC1=CC=CC(NCCNC(=O)NCCCCCC(=O)[O-])=[NH+]1	REAL300013707209	1	46	0.0	-68.09	375.29	5.11	-62.98
CC(C)CC1C[N@H+](C)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013707219	0	53	0.0	-77.75	388.64	8.69	-69.06
CC(C)CC1C[N@@H+](C)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013707219	1	53	0.0	-78.41	381.37	8.19	-70.22
NC1=[NH+]C(C2CC2)=NC(N2CCN(C(=O)NCCCCCC(=O)[O-])CC2)=N1	REAL300013707257	1	54	0.0	-67.96	424.08	9.82	-58.14
NC1=NC(C2CC2)=[NH+]C(N2CCN(C(=O)NCCCCCC(=O)[O-])CC2)=N1	REAL300013707257	1	54	0.0	-66.59	422.75	9.74	-56.85
CC1([NH+]2CCC2)CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013707330	0	54	0.0	-73.89	388.76	7.70	-66.19
CC[NH+](CC)CC(CC)(CC)NC(=O)NCCCCCC(=O)[O-]	REAL300013707332	0	58	0.0	-73.04	402.32	9.32	-63.72
C[N@@H+]1CC2CCC(NC(=O)NCCCCCC(=O)[O-])CC2C1	REAL300013707363	0	51	0.0	-77.66	385.21	7.08	-70.58
C[N@H+]1CC2CCC(NC(=O)NCCCCCC(=O)[O-])CC2C1	REAL300013707363	1	51	0.0	-78.04	385.03	7.07	-70.97
CC1([NH+]2CCOCC2)CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013707432	0	58	0.0	-75.28	410.05	6.56	-68.72
O=C([O-])CCCCCNC(=O)N1CCC2C1CCC[N@H+]2CCO	REAL300013707441	0	52	0.0	-75.57	376.61	4.74	-70.83
O=C([O-])CCCCCNC(=O)N1CCC2C1CCC[N@@H+]2CCO	REAL300013707441	1	52	0.0	-74.33	387.83	4.93	-69.40
CN(CC(C)(C)C[NH+](C)C)C(=O)NCCCCCC(=O)[O-]	REAL300013707443	0	52	0.0	-72.41	374.79	8.23	-64.18
CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCCCCC(=O)[O-]	REAL300013707447	0	52	0.0	-71.16	395.22	7.49	-63.67
CN(C)C1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013707466	0	58	0.0	-74.25	442.51	8.34	-65.91
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013707467	0	60	0.0	-79.49	455.64	10.25	-69.24
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013707467	1	60	0.0	-74.50	448.41	10.04	-64.46
O=C([O-])CCCCCNC(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300013707504	0	61	0.0	-81.45	455.58	10.43	-71.02
O=C([O-])CCCCCNC(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300013707504	1	61	0.0	-81.51	455.80	10.67	-70.84
C[C@@H]1CN(C(=O)NCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013707525	1	54	0.0	-75.68	405.65	10.45	-65.23
C[C@@H]1CN(C(=O)NCCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013707525	1	54	0.0	-74.05	409.82	10.32	-63.73
CCC(C)[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013707526	0	53	0.0	-71.76	390.88	7.30	-64.46
C[NH+](C)C1CCC2CN(C(=O)NCCCCCC(=O)[O-])CC2C1	REAL300013707557	0	54	0.0	-78.37	399.11	8.79	-69.58
CCN1CCN(C(=O)NCCCCCC(=O)[O-])CC[N@H+](CC)CC1	REAL300013707572	0	58	0.0	-76.18	402.03	6.99	-69.19
CCN1CCN(C(=O)NCCCCCC(=O)[O-])CC[N@@H+](CC)CC1	REAL300013707572	1	58	0.0	-72.79	402.27	7.03	-65.76
O=C([O-])CCCCCNC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013707578	0	50	0.0	-73.47	389.98	5.34	-68.13
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013707591	0	61	0.0	-71.97	435.18	6.13	-65.84
O=C([O-])CCCCCNC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300013707596	0	50	0.0	-70.42	376.30	5.06	-65.36
O=C([O-])CCCCCNC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300013707596	1	50	0.0	-73.61	382.53	5.05	-68.56
CC[NH+](CC)CCC(NC(=O)NCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300013707597	0	59	0.0	-75.34	450.18	10.46	-64.88
CC(CC1CCCC[N@@H+]1C)NC(=O)NCCCCCC(=O)[O-]	REAL300013707606	0	53	0.0	-76.19	390.22	7.32	-68.87
CC(CC1CCCC[N@H+]1C)NC(=O)NCCCCCC(=O)[O-]	REAL300013707606	1	53	0.0	-68.47	389.84	7.50	-60.97
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013707608	0	51	0.0	-81.69	409.60	6.88	-74.81
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)NCCCCCC(=O)[O-])C[C@@H]21	REAL300013707617	0	49	0.0	-72.41	367.02	4.19	-68.22
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)NCCCCCC(=O)[O-])C[C@@H]21	REAL300013707617	1	49	0.0	-71.46	364.24	4.41	-67.05
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)NCCCCCC(=O)[O-])CC2	REAL300013707623	1	50	0.0	-69.75	388.59	7.88	-61.87
CN(CCC[NH+]1CCOCC1)C(=O)NCCCCCC(=O)[O-]	REAL300013707624	1	51	0.0	-73.56	390.61	6.93	-66.63
COC(=O)[C@]12CN(C(=O)NCCCCCC(=O)[O-])C[C@H]1C[N@H+](C)CC2	REAL300013707628	0	54	0.0	-81.47	413.03	8.14	-73.33
COC(=O)[C@]12CN(C(=O)NCCCCCC(=O)[O-])C[C@H]1C[N@@H+](C)CC2	REAL300013707628	1	54	0.0	-83.98	414.58	8.01	-75.97
CN(C(=O)NCCCCCC(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300013707653	0	56	0.0	-71.20	401.78	9.02	-62.18
O=C([O-])CCCCCNC(=O)NC1CC[NH+](CC2CCCO2)CC1	REAL300013707662	0	55	0.0	-73.06	415.50	6.59	-66.47
O=C([O-])CCCCCNC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013707672	1	56	0.0	-78.81	429.29	7.09	-71.72
O=C([O-])CCCCCNC(=O)NCC[NH+]1CC2=CC=CC=C2C1	REAL300013707693	1	48	0.0	-77.74	380.11	7.39	-70.35
O=C([O-])CCCCCNC(=O)NC1CC2CCCC(C1)[NH+]2CC1=CC=CC=C1	REAL300013707697	0	61	0.0	-76.29	444.96	10.11	-66.18
CO[C@@H]1C[C@@H](CNC(=O)NCCCCCC(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300013707702	0	58	0.0	-73.78	455.09	8.02	-65.76
CO[C@@H]1C[C@@H](CNC(=O)NCCCCCC(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300013707702	1	58	0.0	-71.47	447.91	7.58	-63.89
CC1(NC(=O)NCCCCCC(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300013707706	0	54	0.0	-77.69	415.86	8.78	-68.91
CC1(NC(=O)NCCCCCC(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013707706	1	54	0.0	-77.61	415.28	8.73	-68.88
O=C([O-])CCCCCNC(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300013707730	0	52	0.0	-73.56	386.70	5.55	-68.01
CC1C[N@H+](CC2CN(C)CCO2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013707743	1	60	0.0	-75.02	439.26	6.08	-68.94
CC1C[N@@H+](CC2CN(C)CCO2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013707743	1	60	0.0	-74.91	441.15	6.26	-68.65
CC1CN(CC2C[N@H+](C)CCO2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013707743	1	60	0.0	-76.65	427.53	5.82	-70.83
CC1CN(CC2C[N@@H+](C)CCO2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013707743	1	60	0.0	-77.20	427.59	5.81	-71.39
CC[N@@H+]1CCOC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013707745	1	48	0.0	-75.83	372.88	4.56	-71.27
CC[N@H+]1CCOC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013707745	1	48	0.0	-72.74	366.16	4.45	-68.29
O=C([O-])CCCCCNC(=O)NCC[NH+]1CCC(O)CC1	REAL300013707751	0	48	0.0	-77.11	371.12	2.79	-74.32
C[NH+]1CCC(CNC(=O)NCCCCCC(=O)[O-])(C2=CC=CC=C2)CC1	REAL300013707753	0	57	0.0	-77.03	425.89	9.29	-67.74
O=C([O-])CCCCCNC(=O)N1CCC([N@@H+]2CCC(O)C2)CC1	REAL300013707773	0	52	0.0	-76.48	389.08	5.28	-71.20
O=C([O-])CCCCCNC(=O)N1CCC([N@H+]2CCC(O)C2)CC1	REAL300013707773	1	52	0.0	-76.63	389.06	5.25	-71.38
CC1C[N@@H+]2CCCCC2CN1C(=O)NCCCCCC(=O)[O-]	REAL300013707794	0	51	0.0	-72.23	374.44	8.74	-63.49
CC1C[N@H+]2CCCCC2CN1C(=O)NCCCCCC(=O)[O-]	REAL300013707794	1	51	0.0	-72.11	374.43	8.73	-63.38
O=C([O-])CCCCCNC(=O)N1CCCC([NH+]2CCOCC2)CC1	REAL300013707818	0	55	0.0	-76.41	396.47	7.77	-68.64
CC1CN(C(=O)NCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013707821	1	54	0.0	-75.64	405.49	10.48	-65.16
CC1CN(C(=O)NCCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013707821	1	54	0.0	-75.54	405.50	10.47	-65.07
CC[NH+](CC)CC1CCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013707822	0	53	0.0	-73.58	392.85	8.48	-65.10
COCC(COC)[NH+]1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013707831	1	55	0.0	-72.11	412.48	7.06	-65.05
CN(CCC[NH+](C)C)CCNC(=O)NCCCCCC(=O)[O-]	REAL300013707842	0	54	0.0	-76.05	413.77	4.71	-71.34
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NCCCCCC(=O)[O-])C1	REAL300013707843	1	48	0.0	-81.16	373.05	7.32	-73.84
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NCCCCCC(=O)[O-])C1	REAL300013707843	1	48	0.0	-81.48	372.60	7.79	-73.69
O=C([O-])CCCCCNC(=O)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300013707846	1	54	0.0	-85.10	422.20	10.80	-74.30
C[NH+](C)CCN1CCN(C(=O)NCCCCCC(=O)[O-])CC1=O	REAL300013707879	0	51	0.0	-76.12	394.43	6.77	-69.35
CC(C)C1CN(C(=O)NCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013707885	0	60	0.0	-75.29	432.56	11.01	-64.28
CC(C)C1CN(C(=O)NCCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013707885	1	60	0.0	-73.05	441.69	11.53	-61.52
C[NH+]1CCC(CNC(=O)NCCCCCC(=O)[O-])(N2CCOCC2)CC1	REAL300013707904	0	60	0.0	-77.05	429.63	4.12	-72.93
CC[NH+]1CCC(N2CCCN(C(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013707907	0	62	0.0	-72.73	441.98	9.16	-63.57
CCN1CCC([N@@H+]2CCCN(C(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013707907	1	62	0.0	-76.41	437.84	8.51	-67.90
CCN1CCC([N@H+]2CCCN(C(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013707907	1	62	0.0	-74.66	440.19	8.69	-65.97
CCC[N@H+](C)CC(C)(C)NC(=O)NCCCCCC(=O)[O-]	REAL300013707920	0	52	0.0	-75.39	382.25	7.84	-67.55
CCC[N@@H+](C)CC(C)(C)NC(=O)NCCCCCC(=O)[O-]	REAL300013707920	1	52	0.0	-74.98	382.28	7.93	-67.05
O=C([O-])CCCCCNC(=O)N1CCCC([NH2+]C2CCOCC2)C1	REAL300013707931	0	55	0.0	-77.62	406.06	6.24	-71.38
C[NH+](C)CC(NC(=O)NCCCCCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013707932	0	53	0.0	-71.10	431.33	9.18	-61.92
O=C([O-])CCCCCNC(=O)NCC1CCC[N@H+](CC2CC2)C1	REAL300013707941	0	54	0.0	-74.64	412.80	8.48	-66.16
O=C([O-])CCCCCNC(=O)NCC1CCC[N@@H+](CC2CC2)C1	REAL300013707941	1	54	0.0	-74.59	411.05	8.44	-66.15
COC(=O)C1CN(C(=O)NCCCCCC(=O)[O-])CC[N@H+](C)C1	REAL300013707982	0	50	0.0	-76.59	382.24	7.84	-68.75
COC(=O)C1CN(C(=O)NCCCCCC(=O)[O-])CC[N@@H+](C)C1	REAL300013707982	1	50	0.0	-76.58	381.96	7.84	-68.74
CO[C@H]1C[C@@H](CNC(=O)NCCCCCC(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300013707984	0	58	0.0	-75.39	448.35	8.15	-67.24
CO[C@H]1C[C@@H](CNC(=O)NCCCCCC(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300013707984	1	58	0.0	-74.48	448.04	7.58	-66.90
CC(C)[NH+]1CCN(C2CCN(C(=O)NCCCCCC(=O)[O-])C2)CC1	REAL300013707988	0	59	0.0	-73.28	434.31	7.30	-65.98
COCC[N@H+]1[C@H](C)CN(C(=O)NCCCCCC(=O)[O-])C[C@@H]1C	REAL300013708044	0	54	0.0	-71.58	392.73	7.15	-64.43
COCC[N@@H+]1[C@H](C)CN(C(=O)NCCCCCC(=O)[O-])C[C@@H]1C	REAL300013708044	1	54	0.0	-71.51	393.74	6.64	-64.87
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCCCCC(=O)[O-]	REAL300013708098	0	51	0.0	-79.19	401.73	7.21	-71.98
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCCCCC(=O)[O-]	REAL300013708099	0	57	0.0	-74.29	434.23	5.81	-68.48
O=C([O-])CCCCCNC(=O)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300013708102	0	50	0.0	-74.58	410.37	7.08	-67.50
O=C([O-])CCCCCNC(=O)N1CC2=CC=C[NH+]=C2N2C[C@H](O)C[C@H]2C1	REAL300013708116	1	52	0.0	-70.52	395.88	4.90	-65.62
CO[C@@H]1C[C@@H]2CN(C(=O)NCCCCCC(=O)[O-])CC3=CC=C[NH+]=C3N2C1	REAL300013708117	1	55	0.0	-71.81	417.39	7.29	-64.52
COC1CC2CN(C(=O)NCCCCCC(=O)[O-])CC3=CC=C[NH+]=C3N2C1	REAL300013708126	1	55	0.0	-68.68	417.82	7.28	-61.40
O=C([O-])CCCCCNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1	REAL300013708138	1	51	0.0	-68.91	384.79	8.34	-60.57
O=C([O-])CCCCCNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1	REAL300013708139	1	51	0.0	-68.66	384.93	8.32	-60.34
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCCCCC(=O)[O-]	REAL300013708144	0	51	0.0	-80.97	395.75	2.55	-78.42
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCCCCC(=O)[O-]	REAL300013708144	1	51	0.0	-77.65	401.58	3.06	-74.59
C[N@@H+]1C[C@@H](CNC(=O)NCCCCCC(=O)[O-])[C@H](C2=CC=CC=C2)C1	REAL300013708150	0	54	0.0	-79.93	421.49	8.83	-71.10
C[N@H+]1C[C@@H](CNC(=O)NCCCCCC(=O)[O-])[C@H](C2=CC=CC=C2)C1	REAL300013708150	1	54	0.0	-81.05	422.48	8.86	-72.19
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)NCCCCCC(=O)[O-]	REAL300013708156	0	61	0.0	-78.54	478.48	9.07	-69.47
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)NCCCCCC(=O)[O-]	REAL300013708156	1	61	0.0	-77.23	478.27	8.99	-68.24
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)NCCCCCC(=O)[O-])CCC[N@@H+]1C1CC1	REAL300013708176	0	61	0.0	-78.11	454.84	9.13	-68.98
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)NCCCCCC(=O)[O-])CCC[N@H+]1C1CC1	REAL300013708176	1	61	0.0	-75.89	456.22	9.76	-66.13
C[NH+](C)CC1=C2CN(C(=O)NCCCCCC(=O)[O-])CCN2N=C1	REAL300013708185	0	51	0.0	-78.78	398.02	7.44	-71.34
C[NH+]1CC23CN(C(=O)NCCCCCC(=O)[O-])CC2(C1)CCCC3	REAL300013708266	0	55	0.0	-72.41	400.51	8.82	-63.59
C[NH+](C)CC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])S1	REAL300013708308	0	47	0.0	-76.08	390.43	7.21	-68.87
CC(C)[NH+]1CCN(C2(CNC(=O)NCCCCCC(=O)[O-])CCCC2)CC1	REAL300013708344	0	65	0.0	-72.05	459.38	7.22	-64.83
CC(C)N1CC[NH+](C2(CNC(=O)NCCCCCC(=O)[O-])CCCC2)CC1	REAL300013708344	1	65	0.0	-69.53	461.19	7.32	-62.21
COCC(C)(CNC(=O)NCCCCCC(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300013708348	0	65	0.0	-71.86	469.82	6.31	-65.55
O=C([O-])CCCCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300013708361	0	52	0.0	-73.66	386.99	5.66	-68.00
C[NH+]1CCN(C2=CC=C(CCNC(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300013708363	0	59	0.0	-78.15	454.43	7.88	-70.27
CC[NH+](CC)CCC(C)NC(=O)NCCCCCC(=O)[O-]	REAL300013708369	0	52	0.0	-74.11	391.49	7.20	-66.91
O=C([O-])CCCCCNC(=O)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300013708401	0	55	0.0	-62.03	408.96	10.17	-51.86
O=C([O-])CCCCCNC(=O)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300013708401	1	55	0.0	-63.14	415.58	11.05	-52.09
COC(=O)C1CC([NH+](C)C)CN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013708419	0	53	0.0	-70.46	400.04	8.57	-61.89
CC1([NH+]2CCOCC2)CCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013708425	1	52	0.0	-72.09	383.14	6.33	-65.76
CN(C(=O)NCCCCCC(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300013708433	0	53	0.0	-77.18	404.97	10.45	-66.73
CCC[NH+](CCC)CCNC(=O)NCCCCCC(=O)[O-]	REAL300013708494	0	52	0.0	-73.83	393.06	6.87	-66.96
CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCCCC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013708496	1	57	0.0	-79.84	437.22	8.92	-70.92
CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCCCC(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013708496	1	57	0.0	-80.97	446.87	9.70	-71.27
C[N@@H+]1CC[C@@H](NC(=O)NCCCCCC(=O)[O-])[C@@H]1C1=CC=CC=C1	REAL300013708504	0	51	0.0	-75.44	392.15	7.76	-67.68
C[N@H+]1CC[C@@H](NC(=O)NCCCCCC(=O)[O-])[C@@H]1C1=CC=CC=C1	REAL300013708504	1	51	0.0	-75.25	400.61	8.48	-66.77
CC[N@H+](C)CC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013708517	0	53	0.0	-76.62	390.83	9.09	-67.53
CC[N@@H+](C)CC1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013708517	1	53	0.0	-77.41	390.91	9.08	-68.33
C[C@@H]1C[C@H](NC(=O)NCCCCCC(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300013708532	0	60	0.0	-74.29	438.03	9.41	-64.88
C[C@@H]1C[C@H](NC(=O)NCCCCCC(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300013708532	1	60	0.0	-73.15	437.41	9.54	-63.61
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCCCCCC(=O)[O-])C2	REAL300013708548	0	51	0.0	-75.56	371.46	6.70	-68.86
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCCCCCC(=O)[O-])C2	REAL300013708548	1	51	0.0	-69.01	369.09	6.78	-62.23
C[N@@H+]1CC[C@@H](NC(=O)NCCCCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300013708555	1	51	0.0	-79.17	409.00	8.29	-70.88
C[N@H+]1CC[C@@H](NC(=O)NCCCCCC(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300013708555	1	51	0.0	-79.04	416.80	9.08	-69.96
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCCCCCC(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300013708563	0	59	0.0	-72.91	454.55	8.56	-64.35
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCCCCCC(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300013708563	1	59	0.0	-73.72	457.99	9.14	-64.58
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C(=O)NCCCCCC(=O)[O-]	REAL300013708597	0	60	0.0	-74.16	442.53	8.88	-65.28
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C(=O)NCCCCCC(=O)[O-]	REAL300013708597	1	60	0.0	-75.43	437.96	8.33	-67.10
C[N@@H+]1CCC2=C(C=C(CNC(=O)NCCCCCC(=O)[O-])C(=O)N2)C1	REAL300013708621	0	51	0.0	-96.29	405.93	5.15	-91.14
C[N@H+]1CCC2=C(C=C(CNC(=O)NCCCCCC(=O)[O-])C(=O)N2)C1	REAL300013708621	1	51	0.0	-96.31	405.94	5.16	-91.15
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)NCCCCCC(=O)[O-])C2	REAL300013708628	1	50	0.0	-70.78	388.13	8.03	-62.75
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)NCCCCCC(=O)[O-])C2	REAL300013708652	1	50	0.0	-70.78	388.13	8.03	-62.75
CCC[N@@H+]1CCCCC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013708654	0	53	0.0	-72.06	389.60	7.16	-64.90
CCC[N@H+]1CCCCC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013708654	1	53	0.0	-72.43	390.08	7.17	-65.26
O=C([O-])CCCCCNC(=O)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300013708671	1	50	0.0	-75.85	403.81	7.55	-68.30
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)NCCCCCC(=O)[O-]	REAL300013708707	1	52	0.0	-76.24	383.20	6.80	-69.44
C[N@@H+]1CC[C@@H](NC(=O)NCCCCCC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300013708743	0	51	0.0	-80.03	398.68	7.84	-72.19
C[N@H+]1CC[C@@H](NC(=O)NCCCCCC(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300013708743	1	51	0.0	-80.00	406.47	8.63	-71.37
O=C([O-])CCCCCNC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300013708768	0	52	0.0	-71.71	379.55	9.06	-62.65
CC1=C[NH+]=CC=C1N1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013708776	0	50	0.0	-73.35	389.22	7.44	-65.91
CCCC1=[NH+]C=CN1CCCNC(=O)NCCCCCC(=O)[O-]	REAL300013708827	1	51	0.0	-70.11	406.13	7.89	-62.22
O=C([O-])CCCCCNC(=O)N1CC23CCCC2(C1)C[NH+](CC1=CC=CC=C1)C3	REAL300013708837	0	62	0.0	-84.53	461.88	11.88	-72.65
C[NH+]1CC23CCCC2(CN(C(=O)NCCCCCC(=O)[O-])C3)C1	REAL300013708847	0	52	0.0	-81.02	381.72	8.27	-72.75
O=C([O-])CCCCCNC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300013708853	0	51	0.0	-71.73	404.67	8.72	-63.01
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NCCCCCC(=O)[O-]	REAL300013708925	0	48	0.0	-78.81	372.14	4.36	-74.45
C[NH+]1CCN(C(CNC(=O)NCCCCCC(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300013708926	0	59	0.0	-78.17	456.77	7.77	-70.40
C[NH+](C)CCCCCCNC(=O)NCCCCCC(=O)[O-]	REAL300013708927	0	52	0.0	-75.22	404.84	7.43	-67.79
O=C([O-])CCCCCNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300013708931	0	61	0.0	-68.37	451.46	10.23	-58.14
O=C([O-])CCCCCNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300013708931	1	61	0.0	-70.40	455.55	10.44	-59.96
O=C([O-])CCCCCNC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300013708964	1	52	0.0	-71.50	410.59	9.13	-62.37
O=C([O-])CCCCCNC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300013708984	0	54	0.0	-73.43	403.34	8.09	-65.34
O=C([O-])CCCCCNC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300013708984	1	54	0.0	-74.16	397.92	8.62	-65.54
O=C([O-])CCCCCNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300013708991	0	58	0.0	-69.98	440.31	9.79	-60.19
O=C([O-])CCCCCNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300013708991	1	58	0.0	-69.32	441.28	9.84	-59.48
CCC1=[NH+]C=CN1CC(C)NC(=O)NCCCCCC(=O)[O-]	REAL300013709012	1	48	0.0	-67.95	387.57	7.33	-60.62
CC1CN(C(=O)NCCCCCC(=O)[O-])C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300013709015	0	60	0.0	-71.87	442.86	12.15	-59.72
CC1CN(C(=O)NCCCCCC(=O)[O-])C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300013709015	1	60	0.0	-74.82	440.23	11.75	-63.07
O=C([O-])CCCCCNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300013709026	0	61	0.0	-76.86	448.18	12.19	-64.67
O=C([O-])CCCCCNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300013709026	1	61	0.0	-74.30	449.88	12.05	-62.25
CC[N@@H+]1CCN(C(=O)NCCCCCC(=O)[O-])CC12CCOC2	REAL300013709101	1	52	0.0	-75.61	377.56	6.56	-69.05
CC[N@H+]1CCN(C(=O)NCCCCCC(=O)[O-])CC12CCOC2	REAL300013709101	1	52	0.0	-74.09	373.45	6.20	-67.89
O=C([O-])CCCCCNC(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300013709135	0	49	0.0	-72.51	377.18	4.89	-67.62
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013709143	0	63	0.0	-75.84	484.35	10.14	-65.70
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013709143	1	63	0.0	-78.50	482.21	9.49	-69.01
CN(C(=O)NCCCCCC(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013709149	0	57	0.0	-71.25	427.31	12.16	-59.09
CN(C(=O)NCCCCCC(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300013709194	0	50	0.0	-76.67	386.74	6.56	-70.11
CC(C)(C)[N@@H+]1CCCC(NC(=O)NCCCCCC(=O)[O-])C1	REAL300013709201	0	53	0.0	-71.12	384.77	7.47	-63.65
CC(C)(C)[N@H+]1CCCC(NC(=O)NCCCCCC(=O)[O-])C1	REAL300013709201	1	53	0.0	-70.48	388.79	6.94	-63.54
CN(C)C1=CC=C(CCNC(=O)NCCCCCC(=O)[O-])C=[NH+]1	REAL300013709238	1	49	0.0	-68.54	393.06	6.91	-61.63
C[N@@H+]1CC(NC(=O)NCCCCCC(=O)[O-])CC12CCCC2	REAL300013709239	0	51	0.0	-69.70	379.46	7.00	-62.70
C[N@H+]1CC(NC(=O)NCCCCCC(=O)[O-])CC12CCCC2	REAL300013709239	1	51	0.0	-67.95	378.58	6.96	-60.99
C[N@@H+]1CC(NC(=O)NCCCCCC(=O)[O-])CC12CCOCC2	REAL300013709284	0	52	0.0	-71.13	386.08	4.97	-66.16
C[N@H+]1CC(NC(=O)NCCCCCC(=O)[O-])CC12CCOCC2	REAL300013709284	1	52	0.0	-70.96	384.54	4.86	-66.10
O=C([O-])CCCCCNC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300013709301	1	55	0.0	-74.87	394.96	7.68	-67.19
CC1=CC=C(C[NH+]2CCN(C(=O)NCCCCCC(=O)[O-])CC2)C=C1	REAL300013709305	1	54	0.0	-77.38	414.61	10.54	-66.84
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCCCCC(=O)[O-]	REAL300013709315	0	51	0.0	-71.03	375.99	4.74	-66.29
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCCCCC(=O)[O-]	REAL300013709315	1	51	0.0	-72.25	373.00	5.14	-67.11
CC(C)[N@H+](C)C1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013709326	0	53	0.0	-73.35	381.41	8.38	-64.97
CC(C)[N@@H+](C)C1CCN(C(=O)NCCCCCC(=O)[O-])CC1	REAL300013709326	1	53	0.0	-73.61	381.50	8.40	-65.21
O=C([O-])CCCCCNC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013709332	0	57	0.0	-71.17	414.93	8.76	-62.41
O=C([O-])CCCCCNC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013709332	1	57	0.0	-71.14	414.93	8.75	-62.39
C[NH+](C)CCC1CN(C(=O)NCCCCCC(=O)[O-])CCO1	REAL300013709343	0	51	0.0	-74.79	388.93	6.90	-67.89
CC(CNC(=O)NCCCCCC(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013709367	1	52	0.0	-66.80	408.86	7.53	-59.27
CN(C)C1=CC=C(C(C)(C)CNC(=O)NCCCCCC(=O)[O-])C=[NH+]1	REAL300013709370	1	55	0.0	-65.16	421.61	8.04	-57.12
O=C([O-])CCCCCNC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013709386	1	46	0.0	-67.72	360.54	7.15	-60.57
CCCC1=[NH+]C=CN1C1CCCN(C(=O)NCCCCCC(=O)[O-])C1	REAL300013709450	1	55	0.0	-66.81	423.20	10.39	-56.42
O=C([O-])CCCCCNC(=O)NCC1CCCC2=[NH+]C=CN21	REAL300013709498	1	46	0.0	-67.72	360.54	7.15	-60.57
CC1(C)CC(NC(=O)NCCCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013709548	0	57	0.0	-70.90	434.33	9.18	-61.72
CC1(C)CC(NC(=O)NCCCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013709548	1	57	0.0	-71.23	429.55	9.27	-61.96
C[NH+](C)CC1=CC=C(CCNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013709574	0	53	0.0	-76.86	420.67	8.70	-68.16
O=C([O-])CCCCCNC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013709580	0	57	0.0	-76.85	428.61	9.59	-67.26
O=C([O-])CCCCCNC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013709580	1	57	0.0	-76.50	429.37	9.69	-66.81
CCC[N@H+](CCNC(=O)NCCCCCC(=O)[O-])C(C)C	REAL300013709610	0	52	0.0	-72.25	384.76	6.46	-65.79
CCC[N@@H+](CCNC(=O)NCCCCCC(=O)[O-])C(C)C	REAL300013709610	1	52	0.0	-71.82	385.24	6.58	-65.24
C[C@@H]1C[N@H+](C2CCN(C(=O)NCCCCCC(=O)[O-])CC2)C[C@H](C)O1	REAL300013709654	0	58	0.0	-76.91	426.32	8.39	-68.52
C[C@@H]1C[N@@H+](C2CCN(C(=O)NCCCCCC(=O)[O-])CC2)C[C@H](C)O1	REAL300013709654	1	58	0.0	-77.42	419.36	8.41	-69.01
CC(C)(CNC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013709661	0	51	0.0	-84.33	394.98	8.27	-76.06
CC(=O)N1CCN(C2=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=CC=[NH+]2)CC1	REAL300013709664	1	54	0.0	-79.84	416.98	4.86	-74.98
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013709678	0	50	0.0	-75.97	388.15	9.65	-66.32
CCCC[N@H+](C)CC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013709684	0	56	0.0	-80.78	404.26	9.69	-71.09
CCCC[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013709684	1	56	0.0	-82.32	404.27	9.71	-72.61
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013709689	0	50	0.0	-88.20	394.55	9.87	-78.33
CC1=CC=C(CN(CC[NH+](C)C)C(=O)NCC(C)(C)C(=O)[O-])O1	REAL300013709690	0	50	0.0	-81.98	391.81	8.76	-73.22
CC(C)[N@H+](C)CC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013709692	0	53	0.0	-78.30	377.96	8.70	-69.60
CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013709692	1	53	0.0	-79.87	378.37	8.67	-71.20
CC[NH+](CC)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CO1	REAL300013709695	0	50	0.0	-69.46	374.00	6.61	-62.85
C[N@H+](CCNC(=O)NCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013709697	0	47	0.0	-78.58	365.87	6.99	-71.59
C[N@@H+](CCNC(=O)NCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013709697	1	47	0.0	-78.65	366.41	6.98	-71.67
CC(C)(CNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013709698	1	45	0.0	-79.99	360.19	6.52	-73.47
CC(C)(CNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013709698	1	45	0.0	-79.97	360.20	6.52	-73.45
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013709721	0	56	0.0	-69.23	390.18	7.60	-61.63
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013709722	0	53	0.0	-75.52	391.26	7.66	-67.86
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013709723	0	53	0.0	-69.24	369.48	7.03	-62.21
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013709723	1	53	0.0	-69.93	375.86	7.02	-62.91
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013709726	0	51	0.0	-75.75	389.35	8.31	-67.44
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013709726	1	51	0.0	-74.62	388.45	8.15	-66.47
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013709744	1	61	0.0	-85.56	439.77	8.88	-76.68
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013709758	0	54	0.0	-84.91	406.99	5.58	-79.33
CC(C)(CNC(=O)NCCCC[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013709763	0	63	0.0	-80.16	472.39	11.03	-69.13
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013709765	0	58	0.0	-75.63	410.13	5.49	-70.14
CC(C)(CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013709781	0	57	0.0	-77.97	399.16	10.68	-67.29
CC(C)(CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013709781	1	57	0.0	-78.81	400.10	10.64	-68.17
CC(C)(C)CC[NH+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013709795	0	53	0.0	-78.68	381.48	8.47	-70.21
CC(C)(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013709818	0	54	0.0	-80.97	408.74	8.93	-72.04
CC(C)(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013709819	1	56	0.0	-81.73	441.52	7.95	-73.78
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C2)CCO1	REAL300013709820	1	55	0.0	-79.04	424.22	7.22	-71.82
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C2)CCO1	REAL300013709820	1	55	0.0	-79.39	423.65	7.24	-72.15
CC(C)(CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013709825	0	57	0.0	-76.02	411.17	8.66	-67.36
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013709839	0	51	0.0	-70.53	398.33	6.86	-63.67
CC(C)(CNC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300013709842	0	51	0.0	-76.66	399.68	8.06	-68.60
CC(C)(CNC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300013709842	1	51	0.0	-76.23	393.20	8.04	-68.19
CC(C)(CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300013709843	0	51	0.0	-80.14	399.69	8.01	-72.13
COC1=CC=C(C[NH+]2CCC(CNC(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013709844	0	58	0.0	-84.43	438.82	8.22	-76.21
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013709851	1	51	0.0	-77.24	385.30	4.93	-72.31
CC(C)(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013709852	0	54	0.0	-75.38	414.16	8.91	-66.47
CC(C)(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013709852	1	54	0.0	-75.21	419.18	9.66	-65.55
CCOCC[NH+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013709858	1	48	0.0	-75.99	359.78	6.21	-69.78
CC(CNC(=O)NCC(C)(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300013709867	0	50	0.0	-76.83	377.15	7.62	-69.21
CC(CNC(=O)NCC(C)(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300013709867	1	50	0.0	-76.92	376.17	7.61	-69.31
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013709871	0	56	0.0	-70.34	395.21	7.63	-62.71
CCC1CCC[N@H+](C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013709871	1	56	0.0	-70.26	387.26	7.61	-62.65
CC(C)(CNC(=O)NCCCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300013709882	0	53	0.0	-76.10	394.89	7.61	-68.49
CCC1=NC(C[NH+]2CCC(CNC(=O)NCC(C)(C)C(=O)[O-])CC2)=CS1	REAL300013709883	1	56	0.0	-78.60	437.69	7.75	-70.85
COC1=CC=CC=C1C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCCCC1	REAL300013709894	0	58	0.0	-70.23	427.01	9.13	-61.10
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300013709895	0	47	0.0	-80.35	364.17	7.97	-72.38
CC(C)(CNC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300013709902	1	51	0.0	-87.85	401.56	8.37	-79.48
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013709940	0	52	0.0	-70.08	403.50	5.74	-64.34
CC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013709942	0	54	0.0	-71.58	407.69	8.81	-62.77
CC[NH+]1CCN(C2=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=CC=N2)CC1	REAL300013709953	0	55	0.0	-76.03	419.43	6.28	-69.75
CC(C)(CNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300013709957	0	57	0.0	-79.25	421.03	9.05	-70.20
CC(C)(CNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300013709958	0	57	0.0	-76.43	420.54	9.08	-67.35
CC(C)(CNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013709971	0	55	0.0	-77.13	424.68	7.91	-69.22
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013709974	1	51	0.0	-78.57	378.11	9.55	-69.02
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013709974	1	51	0.0	-78.63	380.64	9.73	-68.90
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCC(C)(C)C(=O)[O-])CC2)=N1	REAL300013709984	1	56	0.0	-81.99	428.83	5.47	-76.52
CC1CC[NH+](C(CNC(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013709990	0	57	0.0	-72.41	422.12	10.35	-62.06
CC1CCCC(CNC(=O)NCC(C)(C)C(=O)[O-])([NH+](C)C)C1	REAL300013709998	0	53	0.0	-75.59	368.96	6.75	-68.84
C[N@H+](CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300013710007	0	60	0.0	-70.60	439.85	10.30	-60.30
C[N@@H+](CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300013710007	1	60	0.0	-71.31	435.49	10.76	-60.55
CC(C)(CNC(=O)N1CC[NH+](CCC2=CC=CS2)CC1)C(=O)[O-]	REAL300013710020	1	48	0.0	-82.05	376.39	8.91	-73.14
COC1=CC=C(N2CC[NH+](CCNC(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013710030	1	57	0.0	-81.49	429.74	5.47	-76.02
CN1CCC([NH+]2CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013710036	0	56	0.0	-76.54	401.28	4.92	-71.62
CC(C)(CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300013710075	0	55	0.0	-74.47	389.78	7.72	-66.75
CC(C)(CNC(=O)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1)C(=O)[O-]	REAL300013710077	0	65	0.0	-82.47	443.19	11.47	-71.00
CC(C)(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300013710091	0	57	0.0	-67.43	412.14	9.97	-57.46
C[NH+](C)CCN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710131	0	53	0.0	-88.45	426.97	10.79	-77.66
CC(C)(CNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013710135	1	55	0.0	-77.11	417.64	3.39	-73.72
CC(C)(CNC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013710160	0	53	0.0	-84.76	406.42	7.30	-77.46
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710169	0	56	0.0	-82.97	402.44	8.85	-74.12
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710169	1	56	0.0	-79.65	413.07	9.20	-70.45
CC(C)(CNC(=O)N(CCC[NH+]1CCOCC1)CC1=CC=NC=C1)C(=O)[O-]	REAL300013710183	1	57	0.0	-88.46	436.72	8.24	-80.22
CC(C)(CNC(=O)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1)C(=O)[O-]	REAL300013710186	0	52	0.0	-81.96	387.50	10.14	-71.82
CC([NH2+]C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013710195	0	53	0.0	-75.26	394.58	7.09	-68.17
CC([NH2+]C1(CNC(=O)NCC(C)(C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013710196	0	57	0.0	-76.32	417.73	8.07	-68.25
CCC(CC)(CNC(=O)NCC(C)(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013710197	0	59	0.0	-73.88	418.90	8.15	-65.73
CN(C(=O)NCC(C)(C)C(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013710203	0	54	0.0	-78.00	401.86	10.29	-67.71
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013710213	0	56	0.0	-75.75	428.71	7.85	-67.90
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013710214	0	59	0.0	-74.50	446.45	8.53	-65.97
CC(C)(CNC(=O)N1CCC[N@H+](CCCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013710216	0	57	0.0	-81.41	421.66	11.87	-69.54
CC(C)(CNC(=O)N1CCC[N@@H+](CCCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013710216	1	57	0.0	-81.54	422.28	11.87	-69.67
CC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300013710255	0	51	0.0	-73.09	386.67	7.15	-65.94
COCCC[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013710283	0	51	0.0	-77.26	385.16	5.16	-72.10
CN(C(=O)NCC(C)(C)C(=O)[O-])C1CC[NH+](CCC2=CC=CC=N2)CC1	REAL300013710286	0	56	0.0	-80.45	419.14	9.36	-71.09
CN(C(=O)NCC(C)(C)C(=O)[O-])C1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013710287	0	56	0.0	-86.31	418.80	9.36	-76.95
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013710304	0	57	0.0	-84.58	420.80	11.09	-73.49
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013710304	1	57	0.0	-84.60	420.79	11.09	-73.51
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710314	0	53	0.0	-76.59	402.29	10.20	-66.39
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013710315	0	54	0.0	-88.04	427.67	5.52	-82.52
C[NH+]1CCN(CC(NC(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013710339	0	56	0.0	-75.23	427.37	7.25	-67.98
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013710345	0	58	0.0	-78.59	450.30	6.61	-71.98
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013710345	1	58	0.0	-78.51	449.71	6.63	-71.88
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C2)CC1	REAL300013710351	0	57	0.0	-78.43	432.53	9.50	-68.93
CCC[NH+](CCC)CCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013710352	0	52	0.0	-76.44	389.40	7.06	-69.38
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C2)CC1	REAL300013710356	0	56	0.0	-74.85	428.74	6.44	-68.41
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C2)CC1	REAL300013710356	1	56	0.0	-77.67	428.19	6.33	-71.34
CC1CC[NH+](CC2CCCN(C(=O)NCC(C)(C)C(=O)[O-])C2)CC1	REAL300013710378	0	57	0.0	-71.07	406.94	9.97	-61.10
CC(C)(CNC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013710386	0	54	0.0	-74.32	394.61	8.48	-65.84
CC(C)(CNC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013710386	1	54	0.0	-73.21	394.38	8.58	-64.63
CC(C)(CNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C(=O)[O-]	REAL300013710399	1	51	0.0	-84.50	401.34	7.29	-77.21
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710401	0	56	0.0	-81.13	409.70	10.54	-70.59
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710406	0	56	0.0	-84.69	427.52	11.24	-73.45
CC(C)(CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013710418	0	52	0.0	-83.37	383.63	7.01	-76.36
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013710421	0	54	0.0	-80.31	422.57	7.46	-72.85
CC(C)(CNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013710423	0	54	0.0	-81.78	416.07	8.96	-72.82
CC(C)(CNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013710423	1	54	0.0	-79.85	415.74	8.99	-70.86
CC(CNC(=O)NCC(C)(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013710450	0	51	0.0	-75.90	380.28	8.07	-67.83
CC(CNC(=O)NCC(C)(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013710450	1	51	0.0	-76.01	379.42	8.06	-67.95
CC(CNC(=O)NCC(C)(C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300013710451	1	48	0.0	-76.31	372.16	7.51	-68.80
CC(CNC(=O)NCC(C)(C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300013710451	1	48	0.0	-76.59	372.13	7.51	-69.08
CC(C)(CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013710466	0	54	0.0	-78.57	385.32	9.37	-69.20
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710467	0	50	0.0	-80.75	398.58	10.10	-70.65
C[NH+](C)CCN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710468	0	53	0.0	-80.22	420.91	10.62	-69.60
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710469	0	50	0.0	-81.04	388.24	9.67	-71.37
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710470	0	50	0.0	-86.08	400.91	9.92	-76.16
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710471	0	50	0.0	-93.27	394.81	9.89	-83.38
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013710480	0	53	0.0	-73.71	406.50	6.77	-66.94
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013710483	0	54	0.0	-82.47	391.55	6.96	-75.51
CC(C)(CNC(=O)NCC1=CC=C[NH+]=C1N1CCC(C(N)=O)CC1)C(=O)[O-]	REAL300013710492	1	54	0.0	-89.49	421.65	3.01	-86.48
CC(C)(CNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300013710494	0	57	0.0	-83.06	437.28	7.35	-75.71
C[N@H+](CCN1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013710499	0	59	0.0	-83.07	437.54	8.68	-74.39
C[N@@H+](CCN1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013710499	1	59	0.0	-82.91	437.61	8.68	-74.23
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013710500	0	54	0.0	-76.79	421.49	7.58	-69.21
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013710530	0	50	0.0	-77.78	387.85	7.68	-70.10
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013710530	1	50	0.0	-77.89	387.84	7.67	-70.22
COC1=CC=[NH+]C(N2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)=C1	REAL300013710538	0	48	0.0	-72.08	364.89	5.52	-66.56
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710546	0	55	0.0	-71.65	398.97	6.30	-65.35
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710546	1	55	0.0	-71.92	399.83	6.29	-65.63
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710546	1	55	0.0	-77.83	399.89	6.38	-71.45
CC(C)(CNC(=O)N1CCCC1C[NH+]1CCCCC1)C(=O)[O-]	REAL300013710548	0	51	0.0	-64.83	365.33	8.30	-56.53
CC1C[NH+](CC2CCCN2C(=O)NCC(C)(C)C(=O)[O-])CC(C)O1	REAL300013710549	1	55	0.0	-66.25	392.76	7.34	-58.91
CC1CCC(C)[NH+]1CCN1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013710551	0	59	0.0	-75.61	415.04	6.97	-68.64
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710553	0	50	0.0	-76.99	386.83	9.41	-67.58
CC(C)(CNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300013710556	0	55	0.0	-82.80	422.17	5.54	-77.26
CC[NH+](CC)CCN(CCOC)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710557	0	53	0.0	-66.63	396.31	7.32	-59.31
CC(C)(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300013710633	0	52	0.0	-72.57	366.67	4.92	-67.65
CC(C)(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013710637	0	54	0.0	-74.47	392.39	9.96	-64.51
CC(C)(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013710637	1	54	0.0	-74.46	392.39	9.97	-64.49
CCCN(C(=O)NCC(C)(C)C(=O)[O-])C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013710707	0	60	0.0	-78.12	417.75	12.26	-65.86
CCCN(C(=O)NCC(C)(C)C(=O)[O-])C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013710707	1	60	0.0	-65.01	421.47	12.01	-53.00
CC[NH+]1CCN(C2CCN(C(=O)NCC(C)(C)C(=O)[O-])C2)CC1	REAL300013710730	0	53	0.0	-76.86	387.42	5.82	-71.04
CC(CN1CC[NH+](C)CC1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013710734	0	49	0.0	-72.14	366.47	3.90	-68.24
CC(C[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013710734	1	49	0.0	-74.85	366.03	3.96	-70.89
CC(C)(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013710735	0	54	0.0	-78.81	422.29	9.39	-69.42
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2F)CC1	REAL300013710736	0	56	0.0	-79.49	431.08	7.20	-72.29
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710743	0	49	0.0	-90.44	378.76	7.79	-82.65
CC(C)(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013710745	0	56	0.0	-83.95	438.45	7.50	-76.45
CC(C)(CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300013710769	1	52	0.0	-79.36	402.43	6.49	-72.87
CC(C)(CNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013710774	0	50	0.0	-84.07	384.47	6.49	-77.58
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1OC	REAL300013710775	0	61	0.0	-75.87	460.04	7.76	-68.11
CC(C)(CNC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013710786	0	62	0.0	-79.62	466.99	7.97	-71.65
CC(C)(CNC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013710786	1	62	0.0	-78.52	467.55	7.93	-70.59
CC(C)(CNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013710799	0	59	0.0	-81.71	443.22	7.75	-73.96
CC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013710818	0	50	0.0	-75.53	379.25	8.70	-66.83
COCC[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013710828	0	48	0.0	-73.29	362.61	4.52	-68.77
CC(C)(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013710837	0	54	0.0	-72.68	393.37	8.45	-64.23
CC(C)(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013710837	1	54	0.0	-73.63	401.87	9.16	-64.47
CC(C)(CNC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013710839	0	54	0.0	-77.68	409.32	8.93	-68.75
CC(C)(CNC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013710839	1	54	0.0	-76.57	402.39	8.88	-67.69
CC(C)(CNC(=O)N1CCCC([NH+]2CCCCC2)C1)C(=O)[O-]	REAL300013710841	0	51	0.0	-77.45	363.21	8.39	-69.06
COC1CC[NH+](C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013710842	0	54	0.0	-73.53	388.32	5.42	-68.11
COC1CC[NH+](C2(CNC(=O)NCC(C)(C)C(=O)[O-])CCCC2)CC1	REAL300013710843	0	58	0.0	-73.29	413.21	6.66	-66.63
COCC[NH+]1CCC(CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013710847	0	51	0.0	-77.56	382.48	5.21	-72.35
CC(C)(CNC(=O)NCC1=CC=CC(C[N@@H+]2CCCC(C(N)=O)C2)=C1)C(=O)[O-]	REAL300013710849	0	58	0.0	-75.84	441.35	5.70	-70.14
CC(C)(CNC(=O)NCC1=CC=CC(C[N@H+]2CCCC(C(N)=O)C2)=C1)C(=O)[O-]	REAL300013710849	1	58	0.0	-81.64	447.09	5.51	-76.13
CCCC[N@@H+]1CCCCC1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013710863	0	53	0.0	-73.05	380.69	7.20	-65.85
CCCC[N@H+]1CCCCC1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013710863	1	53	0.0	-73.16	381.30	7.19	-65.97
CC(C)(CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013710868	0	61	0.0	-72.66	416.31	6.86	-65.80
CC(C)(CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013710868	1	61	0.0	-72.20	416.46	6.88	-65.32
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCC(C)(C)C(=O)[O-])CCC1	REAL300013710887	0	54	0.0	-71.10	398.68	8.87	-62.23
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCC(C)(C)C(=O)[O-])CCC1	REAL300013710887	1	54	0.0	-73.91	400.98	8.41	-65.50
CC(C)(CNC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013710903	0	52	0.0	-80.29	384.85	5.41	-74.88
CC(C)(CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)C(=O)[O-]	REAL300013710908	0	52	0.0	-82.21	376.28	6.96	-75.25
CN1CC[NH+](CCCCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013710911	0	52	0.0	-77.16	390.32	4.28	-72.88
C[NH+]1CCN(CCCCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013710911	1	52	0.0	-76.32	391.29	4.40	-71.92
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710921	1	51	0.0	-78.63	378.27	9.55	-69.08
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710921	1	51	0.0	-78.47	380.04	9.76	-68.71
CC(C)(CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013710940	0	58	0.0	-72.69	404.86	6.58	-66.11
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710965	0	52	0.0	-71.62	400.24	9.02	-62.60
C[NH+](C)CCN(CC1=CC=CS1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013710967	0	47	0.0	-71.72	372.47	8.81	-62.91
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711010	0	51	0.0	-76.41	368.11	5.52	-70.89
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711010	1	51	0.0	-76.97	365.64	5.21	-71.76
CC(C)(CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013711038	0	52	0.0	-71.98	376.83	6.97	-65.01
CC(C)(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013711041	0	57	0.0	-79.76	417.92	9.90	-69.86
CC(C)(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013711041	1	57	0.0	-76.57	419.17	9.61	-66.96
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013711058	0	58	0.0	-84.28	444.93	7.09	-77.19
C[C@@H]1CN(C(=O)NCC(C)(C)C(=O)[O-])C[C@H](C)[N@H+]1CCO	REAL300013711062	0	48	0.0	-72.48	341.43	3.83	-68.65
C[C@@H]1CN(C(=O)NCC(C)(C)C(=O)[O-])C[C@H](C)[N@@H+]1CCO	REAL300013711062	1	48	0.0	-74.67	341.48	3.29	-71.38
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300013711073	0	54	0.0	-77.11	398.01	10.78	-66.33
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013711073	1	54	0.0	-74.06	395.90	10.33	-63.73
C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711078	0	56	0.0	-82.56	407.39	9.80	-72.76
C[NH+](C)CCCCCCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013711079	0	52	0.0	-76.91	397.29	7.30	-69.61
CC(C)(CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013711087	0	52	0.0	-80.37	366.89	7.12	-73.25
CC(C)(CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013711087	1	52	0.0	-80.58	367.17	7.06	-73.52
CC1CC(N(C)C(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013711088	0	57	0.0	-73.27	407.67	10.65	-62.62
CC1CC(N(C)C(=O)NCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013711088	1	57	0.0	-76.95	412.31	10.43	-66.52
CC(C)(CNC(=O)N1CCCC([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013711090	0	51	0.0	-76.70	362.52	8.72	-67.98
CC(C)(CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(=O)[O-]	REAL300013711093	0	51	0.0	-75.60	360.98	9.13	-66.47
CC(C)(CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)C(=O)[O-]	REAL300013711093	1	51	0.0	-75.90	362.00	9.11	-66.79
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711099	1	56	0.0	-74.05	417.08	8.52	-65.53
CC(CNC(=O)NCC(C)(C)C(=O)[O-])C[NH+]1CCOCC1	REAL300013711101	1	48	0.0	-78.02	359.09	4.47	-73.55
C[NH+](C)CCOC1=CC=CC=C1N1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013711102	0	60	0.0	-81.76	443.86	8.46	-73.30
CC(C)C1CCC([NH+]2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013711107	0	60	0.0	-77.04	418.87	10.13	-66.91
CC(C)(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C2(CCCCC2)C1)C(=O)[O-]	REAL300013711126	0	61	0.0	-73.66	428.26	11.68	-61.98
CC(C)(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C2(CCCCC2)C1)C(=O)[O-]	REAL300013711126	1	61	0.0	-73.99	428.82	11.67	-62.32
CN(CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711145	0	56	0.0	-76.19	418.36	8.06	-68.13
CC[N@H+](CCC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1)CC1CC1	REAL300013711156	0	60	0.0	-80.13	433.63	11.01	-69.12
CC[N@@H+](CCC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1)CC1CC1	REAL300013711156	1	60	0.0	-80.88	434.32	11.00	-69.88
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+]1CC(C)(C)O	REAL300013711169	0	51	0.0	-71.68	367.17	4.65	-67.03
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@H+]1CC(C)(C)O	REAL300013711169	1	51	0.0	-75.76	363.48	5.31	-70.45
C[NH+](C)CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013711201	0	47	0.0	-67.64	380.29	7.78	-59.86
CC(O)C[N@@H+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C(C)C1	REAL300013711202	0	48	0.0	-75.64	351.40	4.17	-71.47
CC(O)C[N@H+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C(C)C1	REAL300013711202	1	48	0.0	-79.10	353.26	4.34	-74.76
CC(C)(CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C(=O)[O-]	REAL300013711203	0	48	0.0	-73.21	343.38	3.82	-69.39
CC(C)(CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C(=O)[O-]	REAL300013711203	1	48	0.0	-74.25	342.41	4.12	-70.13
CC(C)(CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013711221	0	55	0.0	-82.25	398.11	7.56	-74.69
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013711230	0	59	0.0	-70.55	385.15	8.94	-61.61
CC(C)(CNC(=O)N1CCN(C2=CC(N3CCOCC3)=NC=[NH+]2)CC1)C(=O)[O-]	REAL300013711237	0	56	0.0	-75.43	417.42	6.02	-69.41
CC(C)(CNC(=O)N1CCN(C2=CC(N3CCOCC3)=[NH+]C=N2)CC1)C(=O)[O-]	REAL300013711237	1	56	0.0	-74.87	417.96	6.02	-68.85
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013711256	0	54	0.0	-77.18	409.59	5.40	-71.78
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013711256	1	54	0.0	-78.64	407.82	5.41	-73.23
C[N@H+](CCCO)C1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013711257	0	51	0.0	-81.80	372.47	4.62	-77.18
C[N@@H+](CCCO)C1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013711257	1	51	0.0	-81.78	372.51	4.61	-77.17
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NCC(C)(C)C(=O)[O-])C2)=C1	REAL300013711272	1	56	0.0	-81.32	431.90	6.19	-75.13
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NCC(C)(C)C(=O)[O-])C2)=C1	REAL300013711272	1	56	0.0	-80.90	432.01	6.26	-74.64
C[NH+](C)CCN(CC1=CC=CO1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711295	0	47	0.0	-73.52	364.19	7.77	-65.75
CC(C)(CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013711314	0	50	0.0	-77.40	380.78	5.15	-72.25
CC[N@H+](CCC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1)CC(C)C	REAL300013711327	0	62	0.0	-79.72	439.45	10.89	-68.83
CC[N@@H+](CCC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1)CC(C)C	REAL300013711327	1	62	0.0	-78.23	439.93	10.91	-67.32
COC(=O)CC[N@@H+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C(C)C1	REAL300013711338	1	50	0.0	-85.96	375.34	7.42	-78.54
COC(=O)CC[N@H+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C(C)C1	REAL300013711338	1	50	0.0	-85.65	376.68	7.59	-78.06
CC(C)(CNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013711339	0	58	0.0	-77.43	444.46	8.88	-68.55
C[NH+](C)CCC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013711359	0	50	0.0	-80.76	392.59	7.86	-72.90
CC(C)(CNC(=O)N1CCC([NH2+]C2CCS(=O)(=O)C2)CC1)C(=O)[O-]	REAL300013711368	0	51	0.0	-104.38	387.49	3.13	-101.25
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013711397	0	55	0.0	-81.17	420.91	7.74	-73.43
C[N@@H+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1CC1=CC=CC=C1	REAL300013711404	1	51	0.0	-84.79	382.18	9.46	-75.33
C[N@H+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1CC1=CC=CC=C1	REAL300013711404	1	51	0.0	-85.02	382.56	9.44	-75.58
COC1=CC=C(C(C[NH+](C)C)NC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013711408	0	51	0.0	-67.91	392.45	6.60	-61.31
CC[NH+]1CCN(CC(C)(C)NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013711421	0	55	0.0	-76.57	392.70	6.26	-70.31
CCN1CC[NH+](CC(C)(C)NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013711421	1	55	0.0	-76.84	389.37	5.73	-71.11
CN(C(=O)NCC(C)(C)C(=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1	REAL300013711435	0	50	0.0	-84.00	383.17	8.49	-75.51
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711449	0	54	0.0	-72.61	392.35	10.68	-61.93
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711449	1	54	0.0	-73.81	391.06	10.09	-63.72
CC(C)(CNC(=O)NCC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013711454	0	52	0.0	-77.51	400.85	4.99	-72.52
CC(C)(CNC(=O)NCC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013711454	1	52	0.0	-77.30	402.45	5.19	-72.11
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013711458	1	55	0.0	-77.22	420.06	7.81	-69.41
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013711458	1	55	0.0	-77.18	409.23	7.31	-69.87
C[NH+](C)CCN(CC1CCCO1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711469	0	51	0.0	-74.73	376.76	7.39	-67.34
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013711472	1	56	0.0	-80.06	418.60	7.33	-72.73
CC1CC(NC(=O)NCC(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013711498	0	51	0.0	-75.32	385.32	7.79	-67.53
CC1CC(NC(=O)NCC(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013711498	1	51	0.0	-76.49	393.03	8.23	-68.26
CC(C)CC(CNC(=O)NCC(C)(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013711503	0	59	0.0	-79.44	436.53	8.47	-70.97
CCCC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013711516	0	57	0.0	-76.35	419.65	10.79	-65.56
CCCC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013711516	1	57	0.0	-76.51	420.24	10.78	-65.73
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013711517	0	50	0.0	-78.34	384.72	8.27	-70.07
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013711517	1	50	0.0	-79.48	385.16	8.23	-71.25
CCN(CCC[NH+](CC)CC)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711535	0	52	0.0	-69.89	381.96	8.65	-61.24
CO[C@H]1C[C@@H](CN(C)C(=O)NCC(C)(C)C(=O)[O-])[N@H+](C)C1	REAL300013711545	0	48	0.0	-70.64	354.52	6.51	-64.13
CO[C@H]1C[C@@H](CN(C)C(=O)NCC(C)(C)C(=O)[O-])[N@@H+](C)C1	REAL300013711545	1	48	0.0	-78.50	355.01	5.36	-73.14
CC(NC(=O)NCC(C)(C)C(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013711548	0	50	0.0	-72.54	370.95	7.71	-64.83
CC1=CC=CC=C1C(C(C)NC(=O)NCC(C)(C)C(=O)[O-])[NH+](C)C	REAL300013711549	0	53	0.0	-71.73	382.85	8.53	-63.20
CCC[N@H+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013711552	0	53	0.0	-77.04	408.27	8.48	-68.56
CCC[N@@H+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013711552	1	53	0.0	-77.48	409.11	8.54	-68.94
CC(C)(CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300013711580	1	53	0.0	-77.25	369.42	4.01	-73.24
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013711597	1	54	0.0	-75.14	420.37	8.89	-66.25
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013711597	1	54	0.0	-73.68	421.80	9.01	-64.67
C[NH+](C)C1(CNC(=O)NCC(C)(C)C(=O)[O-])CC2=CC=CC=C2C1	REAL300013711600	0	51	0.0	-73.55	375.87	7.60	-65.95
CC(C)(O)C[NH+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013711640	0	48	0.0	-79.61	350.18	4.67	-74.94
CC(C)(CNC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300013711677	0	55	0.0	-72.07	396.83	4.62	-67.45
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013711719	0	54	0.0	-81.56	411.37	8.89	-72.67
CCC(C)[NH2+]C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CO1	REAL300013711745	0	50	0.0	-74.22	385.41	5.56	-68.66
CN(CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711749	0	59	0.0	-74.46	440.79	8.58	-65.88
C[NH+](C)CCN(CC1=CSC=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711768	0	47	0.0	-74.29	370.76	8.63	-65.66
CC(CNC(=O)NCC(C)(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013711819	0	52	0.0	-73.18	384.79	4.27	-68.91
CC(CNC(=O)NCC(C)(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300013711819	1	52	0.0	-77.07	387.03	4.70	-72.37
CCN1CC[NH+](CC(C)CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013711820	0	55	0.0	-73.07	402.35	5.08	-67.99
CC[NH+]1CCN(CC(C)CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013711820	1	55	0.0	-75.78	406.03	5.37	-70.41
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013711821	0	59	0.0	-76.21	448.15	9.92	-66.29
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013711821	1	59	0.0	-76.66	449.01	9.90	-66.76
CC(C)[NH+]1CCC(O)(CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013711833	0	51	0.0	-75.48	373.41	3.59	-71.89
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013711843	0	57	0.0	-79.37	421.46	9.14	-70.23
CCC(NC(=O)NCC(C)(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013711844	1	58	0.0	-77.76	423.19	7.67	-70.09
CCC(NC(=O)NCC(C)(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013711844	1	58	0.0	-77.53	423.21	7.68	-69.85
CN(CCCN1CC[NH+](C)CC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711860	0	52	0.0	-72.36	387.15	6.00	-66.36
CN(CCC[NH+]1CCN(C)CC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711860	1	52	0.0	-71.19	386.17	5.88	-65.31
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013711866	0	54	0.0	-77.40	412.29	9.03	-68.37
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013711866	1	54	0.0	-80.03	410.77	8.76	-71.27
CC(C)(CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013711877	0	58	0.0	-81.16	419.56	8.32	-72.84
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013711890	0	57	0.0	-68.22	423.51	10.39	-57.83
CC[N@H+](CCNC(=O)NCC(C)(C)C(=O)[O-])CCC(F)(F)F	REAL300013711914	0	46	0.0	-80.73	360.66	5.60	-75.13
CC[N@@H+](CCNC(=O)NCC(C)(C)C(=O)[O-])CCC(F)(F)F	REAL300013711914	1	46	0.0	-81.73	365.13	5.87	-75.86
CC(C)(CNC(=O)N1CCN(C2CC[N@H+](CC3=CC=CC=C3)C2)CC1)C(=O)[O-]	REAL300013711918	0	60	0.0	-80.67	441.88	9.10	-71.57
CC(C)(CNC(=O)N1CCN(C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1)C(=O)[O-]	REAL300013711918	1	60	0.0	-80.68	439.17	8.83	-71.85
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013711925	0	48	0.0	-82.18	374.49	8.61	-73.57
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013711925	1	48	0.0	-82.99	374.88	8.63	-74.36
CC(C)(CNC(=O)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1)C(=O)[O-]	REAL300013711926	0	55	0.0	-81.64	413.86	10.22	-71.42
CC(C)(CNC(=O)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1)C(=O)[O-]	REAL300013711926	1	55	0.0	-82.50	413.62	10.23	-72.27
CCCN(CC[NH+]1CCCCC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013711931	0	53	0.0	-68.40	387.88	9.25	-59.15
COCC[NH+](CCOC)C1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013711938	0	58	0.0	-75.00	413.66	6.44	-68.56
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC(C)(C)C(=O)[O-])C2	REAL300013711940	0	55	0.0	-81.41	401.05	5.50	-75.91
C[N@@H+]1CC2CN(C(=O)NCC(C)(C)C(=O)[O-])CC2C1C1=CC=CC=C1	REAL300013711982	0	52	0.0	-83.45	384.98	9.33	-74.12
C[N@H+]1CC2CN(C(=O)NCC(C)(C)C(=O)[O-])CC2C1C1=CC=CC=C1	REAL300013711982	1	52	0.0	-82.45	391.14	9.70	-72.75
CC(C)(CNC(=O)NC1CCCCC1[NH+]1CCOCC1)C(=O)[O-]	REAL300013711996	1	52	0.0	-73.86	373.75	5.99	-67.87
CC1CCCC[N@@H+]1CCC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013711999	0	60	0.0	-79.39	417.32	10.13	-69.26
CC1CCCC[N@H+]1CCC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013711999	1	60	0.0	-77.56	416.70	10.14	-67.42
CC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013712032	1	50	0.0	-69.13	377.25	6.81	-62.32
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300013712034	0	54	0.0	-75.70	395.80	8.12	-67.58
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300013712034	1	54	0.0	-71.25	388.77	8.11	-63.14
CC(C)(CNC(=O)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300013712037	0	55	0.0	-73.25	382.01	9.76	-63.49
CC(C)(CNC(=O)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300013712037	1	55	0.0	-73.86	396.73	10.31	-63.55
CC(C)(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300013712038	0	52	0.0	-68.71	397.34	5.76	-62.95
CC(C)(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300013712038	1	52	0.0	-71.17	401.16	5.09	-66.08
CC[NH+](CC)CCCC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013712053	0	59	0.0	-78.75	421.80	10.27	-68.48
CC(C)(CNC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013712065	1	52	0.0	-74.99	400.33	9.07	-65.92
CC(C)(CNC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013712065	1	52	0.0	-79.79	398.01	8.26	-71.53
CC(C)(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013712067	0	55	0.0	-77.19	413.58	7.41	-69.78
CC(C)(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013712067	1	55	0.0	-77.69	413.55	7.34	-70.35
CC1C[N@H+](CCCNC(=O)NCC(C)(C)C(=O)[O-])CCCO1	REAL300013712090	0	51	0.0	-78.40	376.99	5.59	-72.81
CC1C[N@@H+](CCCNC(=O)NCC(C)(C)C(=O)[O-])CCCO1	REAL300013712090	1	51	0.0	-77.04	377.86	5.15	-71.89
CN1CC[NH+](CC2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013712093	0	56	0.0	-81.60	402.29	6.82	-74.78
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712109	0	50	0.0	-74.78	388.00	8.41	-66.37
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712109	1	50	0.0	-74.05	386.93	8.33	-65.72
CCN(CC[NH+]1CCCCCC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712126	0	53	0.0	-68.00	377.47	8.75	-59.25
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013712136	0	54	0.0	-78.07	389.73	9.78	-68.29
CC(C)(CNC(=O)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013712173	0	58	0.0	-80.23	421.73	11.11	-69.12
CC(C)(CNC(=O)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013712173	1	58	0.0	-78.41	410.98	10.53	-67.88
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013712183	0	52	0.0	-76.19	383.85	6.71	-69.48
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013712183	1	52	0.0	-80.33	381.36	6.77	-73.56
CC(C)(CNC(=O)N1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300013712184	0	51	0.0	-77.02	359.49	8.14	-68.88
CC1=CC=[NH+]C(N2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)=C1	REAL300013712188	1	47	0.0	-70.79	357.23	6.86	-63.93
CC(C)(CNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013712190	1	53	0.0	-81.91	416.95	6.70	-75.21
CC(C)(CNC(=O)NNC1=[NH+]N=CC(N)=C1Cl)C(=O)[O-]	REAL300013712195	0	35	0.0	-64.71	300.66	1.71	-63.00
CC(C)(CNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013712223	0	58	0.0	-80.69	426.82	10.25	-70.44
CC(C)(CNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013712223	1	58	0.0	-81.07	426.45	10.21	-70.86
C[NH+](C)CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300013712261	0	47	0.0	-66.19	365.43	7.46	-58.73
CC(C)OC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013712269	0	57	0.0	-77.98	426.98	8.75	-69.23
CC(C)CC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013712276	0	59	0.0	-74.24	442.10	9.70	-64.54
CC1C(NC(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013712289	0	51	0.0	-75.78	385.63	7.75	-68.03
CC1C(NC(=O)NCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013712289	1	51	0.0	-74.75	382.08	8.40	-66.35
C[N@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013712297	0	51	0.0	-78.29	388.21	9.31	-68.98
C[N@@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013712297	1	51	0.0	-78.25	388.75	9.27	-68.98
CC(C)(CNC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013712312	0	51	0.0	-77.46	378.41	7.33	-70.13
CC(C)(CNC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013712312	1	51	0.0	-76.86	378.09	7.32	-69.54
CC(C)(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO)C(=O)[O-]	REAL300013712335	0	55	0.0	-71.46	410.13	5.77	-65.69
CC(C)(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO)C(=O)[O-]	REAL300013712335	1	55	0.0	-69.61	419.32	5.78	-63.83
CC[NH+](CC)CCOCCN(CC1=CC=CC=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712368	0	63	0.0	-57.91	460.85	11.53	-46.38
CC[NH+](CC)CCOCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013712379	0	50	0.0	-72.09	374.97	4.72	-67.37
CN1CC[NH+](CC2(C)CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013712383	0	59	0.0	-79.28	405.85	6.83	-72.45
CC1=C[NH+]=CC=C1OC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013712402	1	49	0.0	-80.18	373.28	7.39	-72.79
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712419	0	52	0.0	-79.41	369.47	6.53	-72.88
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712419	1	52	0.0	-78.69	370.77	6.79	-71.90
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712420	0	52	0.0	-78.65	370.65	6.79	-71.86
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712420	1	52	0.0	-78.88	368.88	6.58	-72.30
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013712427	0	53	0.0	-75.47	416.07	5.71	-69.76
CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712429	0	54	0.0	-72.57	402.09	6.03	-66.54
CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712429	1	54	0.0	-72.87	401.98	6.00	-66.87
CN(CCCN(C)C(=O)NCC(C)(C)C(=O)[O-])CC[NH+](C)C	REAL300013712429	1	54	0.0	-74.88	401.75	6.17	-68.71
CCCN(CC[NH+]1CCCCCC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712430	0	56	0.0	-71.91	402.07	9.66	-62.25
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013712434	0	50	0.0	-79.44	385.13	8.23	-71.21
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013712434	1	50	0.0	-78.66	385.21	8.22	-70.44
CC(C)(CNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013712477	0	51	0.0	-80.14	384.87	8.77	-71.37
CC(C)(CNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013712477	1	51	0.0	-80.57	385.39	8.75	-71.82
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712489	0	54	0.0	-73.31	404.47	10.26	-63.05
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712489	1	54	0.0	-74.66	406.38	10.27	-64.39
CC(C)[NH+]1CCC(N2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013712499	0	59	0.0	-76.93	414.51	7.27	-69.66
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013712520	0	53	0.0	-75.20	389.35	7.44	-67.76
CC(C)C[N@H+]1CCCC(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013712520	1	53	0.0	-72.41	382.46	7.40	-65.01
CC(C)(CNC(=O)N1CCC2C(CCC[N@@H+]2C2CC2)C1)C(=O)[O-]	REAL300013712526	0	52	0.0	-77.50	369.95	8.47	-69.03
CC(C)(CNC(=O)N1CCC2C(CCC[N@H+]2C2CC2)C1)C(=O)[O-]	REAL300013712526	1	52	0.0	-77.24	364.87	8.39	-68.85
CCC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013712539	0	54	0.0	-76.08	398.76	10.01	-66.07
CCC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013712539	1	54	0.0	-75.98	398.62	10.05	-65.93
C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC(C)(C)C(=O)[O-])C[C@H](C)O1	REAL300013712577	1	51	0.0	-71.04	376.46	6.81	-64.23
C[C@@H]1C[N@H+](CCN(C)C(=O)NCC(C)(C)C(=O)[O-])C[C@H](C)O1	REAL300013712577	1	51	0.0	-70.55	382.72	6.74	-63.81
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712578	1	51	0.0	-71.41	374.76	6.62	-64.79
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712578	1	51	0.0	-70.29	375.33	6.60	-63.69
CC1=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013712601	1	50	0.0	-67.35	390.00	5.74	-61.61
CSC1(CNC(=O)NCC(C)(C)C(=O)[O-])CC[NH+](C)CC1	REAL300013712603	0	48	0.0	-75.88	361.39	6.15	-69.73
CC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013712620	0	54	0.0	-75.04	393.23	10.53	-64.51
CC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013712620	1	54	0.0	-77.73	392.63	9.98	-67.75
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712625	0	57	0.0	-75.97	428.59	11.31	-64.66
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712625	1	57	0.0	-79.04	428.60	11.27	-67.77
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013712653	0	53	0.0	-78.50	398.97	7.13	-71.37
CC1CC(CNC(=O)NCC(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013712657	0	54	0.0	-77.43	412.37	8.70	-68.73
CC1CC(CNC(=O)NCC(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013712657	1	54	0.0	-77.34	411.79	8.71	-68.63
CCCN(CC[NH+](CC)CC)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712678	0	52	0.0	-69.71	382.11	8.63	-61.08
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013712689	0	51	0.0	-76.79	392.36	8.21	-68.58
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013712689	1	51	0.0	-76.46	389.99	8.59	-67.87
CC(C)(CNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013712717	0	51	0.0	-78.56	393.59	8.15	-70.41
CC(C)(CNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013712717	1	51	0.0	-78.57	393.97	8.14	-70.43
CC(C)(CNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013712732	0	52	0.0	-85.25	389.84	9.52	-75.73
CC(C)(CNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013712732	1	52	0.0	-84.47	392.82	9.70	-74.77
CC(C)(CNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013712737	0	57	0.0	-77.04	418.65	9.64	-67.40
CC(C)(CNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013712737	1	57	0.0	-77.32	419.16	9.54	-67.78
CC1CCCC[N@@H+]1CC1CCCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013712776	0	57	0.0	-71.81	401.82	9.87	-61.94
CC1CCCC[N@H+]1CC1CCCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013712776	1	57	0.0	-68.19	396.07	9.53	-58.66
CC(C)(CNC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300013712793	0	51	0.0	-87.16	412.02	8.63	-78.53
CC(C)(CNC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300013712793	1	51	0.0	-86.54	411.32	8.55	-77.99
CC(C)[N@@H+]1C2CCC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC2	REAL300013712799	0	51	0.0	-74.43	347.54	7.93	-66.50
CC(C)[N@H+]1C2CCC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC2	REAL300013712799	1	51	0.0	-67.84	356.09	7.97	-59.87
CC(C)(CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013712800	0	55	0.0	-78.01	403.50	8.38	-69.63
C[N@H+](CC1CC1)CC1CCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013712809	0	51	0.0	-77.18	382.66	8.75	-68.43
C[N@@H+](CC1CC1)CC1CCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013712809	1	51	0.0	-77.15	382.79	8.75	-68.40
CC(C)[NH+](CCCNC(=O)NCC(C)(C)C(=O)[O-])C(C)C	REAL300013712810	0	52	0.0	-72.79	371.28	6.18	-66.61
CC(C)OCC[NH+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013712812	1	51	0.0	-76.14	380.05	6.95	-69.19
CN(C(=O)NCC(C)(C)C(=O)[O-])C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013712814	0	54	0.0	-74.95	402.54	10.31	-64.64
CN(C(=O)NCC(C)(C)C(=O)[O-])C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013712814	1	54	0.0	-65.76	390.85	10.34	-55.42
CC(CCNC(=O)NCC(C)(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300013712822	0	53	0.0	-74.67	397.73	8.12	-66.55
CC(CCNC(=O)NCC(C)(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300013712822	1	53	0.0	-78.14	401.33	8.14	-70.00
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013712828	0	47	0.0	-79.53	374.50	8.43	-71.10
CC[NH+](CC)CCOC1CCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013712835	0	54	0.0	-74.79	401.93	7.40	-67.39
CC(C)(CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013712840	0	57	0.0	-77.60	412.67	10.05	-67.55
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013712845	1	54	0.0	-75.58	375.75	6.61	-68.97
CC(C)(CNC(=O)N1CC[NH+](C2C3=CC=CC=C3C3=CC=CC=C32)CC1)C(=O)[O-]	REAL300013712850	1	56	0.0	-79.99	419.48	11.77	-68.22
CC1CC[NH+](C2CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013712860	0	57	0.0	-75.50	409.69	8.30	-67.20
CC1CC(CCNC(=O)NCC(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013712870	0	57	0.0	-77.05	427.27	9.06	-67.99
CC1CC(CCNC(=O)NCC(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013712870	1	57	0.0	-77.30	434.14	9.37	-67.93
C[NH+](C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013712871	0	57	0.0	-85.96	440.61	5.90	-80.06
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013712916	0	50	0.0	-79.82	400.26	8.00	-71.82
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013712917	0	56	0.0	-78.66	417.19	9.54	-69.12
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013712917	1	56	0.0	-80.91	414.32	9.38	-71.53
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+](C2CCC2)C1	REAL300013712969	0	51	0.0	-76.67	364.21	8.61	-68.06
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@H+](C2CCC2)C1	REAL300013712969	1	51	0.0	-72.87	358.11	9.15	-63.72
CC(C)(CNC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013712981	0	51	0.0	-72.61	385.67	7.70	-64.91
CC(C)(CNC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013712981	1	51	0.0	-72.87	385.85	7.72	-65.15
CC(C)(CNC(=O)NC(C[NH+]1CCCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013712990	0	54	0.0	-75.98	408.79	9.73	-66.25
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013712998	0	53	0.0	-85.42	403.83	10.25	-75.17
C[NH+](C)CCOC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013712999	0	51	0.0	-75.83	379.91	6.96	-68.87
CN1CCC([N@@H+]2CCC(NC(=O)NCC(C)(C)C(=O)[O-])C2)CC1	REAL300013713000	0	53	0.0	-75.90	390.54	4.53	-71.37
CN1CCC([N@H+]2CCC(NC(=O)NCC(C)(C)C(=O)[O-])C2)CC1	REAL300013713000	1	53	0.0	-76.36	389.74	4.55	-71.81
C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)C(=O)[O-])C2)CC1	REAL300013713000	1	53	0.0	-75.54	383.50	4.22	-71.32
CC(C)(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1CO)C(=O)[O-]	REAL300013713013	0	55	0.0	-77.60	415.34	6.11	-71.49
CC(C)(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO)C(=O)[O-]	REAL300013713013	1	55	0.0	-74.50	408.12	5.17	-69.33
CC(C)(CNC(=O)N1CCC2(C1)CCC[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300013713015	0	58	0.0	-82.91	425.98	10.89	-72.02
CC(C)(CNC(=O)N1CCC2(C1)CCC[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300013713015	1	58	0.0	-73.78	427.24	11.06	-62.72
CC(C)(CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300013713019	0	54	0.0	-74.00	388.86	7.70	-66.30
CC(C)OCC[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013713025	0	54	0.0	-73.35	404.72	6.22	-67.13
CC(C)(CNC(=O)N1CC[NH+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013713030	0	49	0.0	-78.58	354.27	6.00	-72.58
CC(C)(CNC(=O)NCCCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300013713034	0	56	0.0	-75.44	422.67	8.49	-66.95
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013713051	0	53	0.0	-81.52	390.43	9.18	-72.34
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013713051	1	53	0.0	-79.61	390.17	9.14	-70.47
CN(C(=O)NCC(C)(C)C(=O)[O-])C1CCCCC1[N@H+](C)C1CCN(C)CC1	REAL300013713054	0	65	0.0	-61.94	432.56	7.70	-54.24
CN(C(=O)NCC(C)(C)C(=O)[O-])C1CCCCC1[N@@H+](C)C1CCN(C)CC1	REAL300013713054	1	65	0.0	-63.55	426.88	7.85	-55.70
CC(C)(CNC(=O)N1CCN(C2=CC=[NH+]C=C2Cl)CC1)C(=O)[O-]	REAL300013713056	1	44	0.0	-78.27	356.26	6.12	-72.15
CC(CC[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013713091	0	52	0.0	-77.45	388.07	4.48	-72.97
CC(CCN1CC[NH+](C)CC1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013713091	1	52	0.0	-77.64	389.55	4.62	-73.02
CN1CC[NH+](CCC(C)(C)NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013713093	0	55	0.0	-80.19	395.44	4.39	-75.80
C[NH+]1CCN(CCC(C)(C)NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013713093	1	55	0.0	-78.39	396.33	4.54	-73.85
CCN(C(=O)NCC(C)(C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013713098	0	54	0.0	-64.51	405.23	10.59	-53.92
CCN(C(=O)NCC(C)(C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013713098	1	54	0.0	-64.63	404.73	10.36	-54.27
CN(C(=O)NCC(C)(C)C(=O)[O-])C1CC[N@@H+](C2CCN(C)CC2)C1	REAL300013713099	0	56	0.0	-75.18	403.68	6.51	-68.67
CN(C(=O)NCC(C)(C)C(=O)[O-])C1CC[N@H+](C2CCN(C)CC2)C1	REAL300013713099	1	56	0.0	-75.73	401.15	6.72	-69.01
CN(C(=O)NCC(C)(C)C(=O)[O-])C1CCN(C2CC[NH+](C)CC2)C1	REAL300013713099	1	56	0.0	-78.58	402.25	6.44	-72.14
CC(C)(CNC(=O)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2)C(=O)[O-]	REAL300013713138	0	58	0.0	-79.21	425.92	10.71	-68.50
CCC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+](CC)CC)C=C1	REAL300013713141	0	59	0.0	-71.11	434.58	9.42	-61.69
CC(C)(CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C(=O)[O-]	REAL300013713142	0	54	0.0	-79.46	400.69	4.00	-75.46
CC(C)(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C2CCCCC21)C(=O)[O-]	REAL300013713150	0	58	0.0	-76.63	405.68	10.41	-66.22
CC(C)(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C2CCCCC21)C(=O)[O-]	REAL300013713150	1	58	0.0	-76.67	405.60	10.41	-66.26
C[N@@H+]1CCCC(N2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C1	REAL300013713167	0	53	0.0	-79.51	379.43	6.05	-73.46
C[N@H+]1CCCC(N2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C1	REAL300013713167	1	53	0.0	-80.47	372.39	5.60	-74.87
CC1CCC([NH+]2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013713179	0	54	0.0	-76.67	383.87	9.01	-67.66
CCOCCC[N@@H+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])C(C)C1	REAL300013713181	0	57	0.0	-80.93	422.61	7.31	-73.62
CCOCCC[N@H+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])C(C)C1	REAL300013713181	1	57	0.0	-76.89	418.19	6.79	-70.10
CC(C)(CNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013713182	0	54	0.0	-81.07	402.18	3.12	-77.95
CC(C)(CNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013713182	1	54	0.0	-80.97	402.27	3.16	-77.81
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013713185	0	54	0.0	-73.57	403.82	8.91	-64.66
C[NH+](C)C1(CNC(=O)NCC(C)(C)C(=O)[O-])CCSC1	REAL300013713196	0	45	0.0	-74.21	334.18	5.51	-68.70
CC(C)(CNC(=O)NCCC[NH+](CC1=CC=CC=C1)CC1=CC=CC=C1)C(=O)[O-]	REAL300013713197	0	60	0.0	-79.91	458.70	11.18	-68.73
CC(C)(CNC(=O)N1CC[NH+](C2CC3CCC2C3)CC1)C(=O)[O-]	REAL300013713206	0	52	0.0	-76.06	367.54	8.90	-67.16
CC(C)(CNC(=O)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013713211	0	61	0.0	-79.13	465.81	9.00	-70.13
C[N@H+](CCNC(=O)NCC(C)(C)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300013713216	0	47	0.0	-84.28	372.86	7.06	-77.22
C[N@@H+](CCNC(=O)NCC(C)(C)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300013713216	1	47	0.0	-84.21	372.32	7.05	-77.16
C[NH+](C)CCCOC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013713217	0	54	0.0	-79.26	402.47	7.59	-71.67
CC(C)(CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300013713224	0	51	0.0	-74.90	368.38	6.93	-67.97
C[NH+]1CCC(C2CCN(C(=O)NCC(C)(C)C(=O)[O-])C2)CC1	REAL300013713227	0	51	0.0	-78.71	376.08	8.20	-70.51
CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013713274	0	56	0.0	-80.14	389.15	7.25	-72.89
CC(C)(CNC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300013713292	0	54	0.0	-73.13	381.09	7.02	-66.11
CC(C)(CNC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300013713292	1	54	0.0	-74.65	377.32	8.26	-66.39
CC(C)(CNC(=O)NCC1(C)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013713297	0	54	0.0	-77.44	411.78	8.87	-68.57
CC(C)(CNC(=O)NCC1(C)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013713297	1	54	0.0	-77.94	410.87	8.79	-69.15
CC(C)C1=CC=C(C[NH+]2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013713310	1	57	0.0	-79.91	423.79	10.91	-69.00
CC(C)(CNC(=O)NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013713328	0	52	0.0	-79.73	400.21	5.05	-74.68
CC(C)(CNC(=O)NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013713328	1	52	0.0	-79.78	400.35	5.04	-74.74
COCC[NH+]1C2CCC1CC(N(C)C(=O)NCC(C)(C)C(=O)[O-])C2	REAL300013713335	0	55	0.0	-66.70	369.15	5.59	-61.11
C[NH+](C)CCC(NC(=O)NCC(C)(C)C(=O)[O-])C(C)(C)C	REAL300013713349	0	52	0.0	-80.25	376.40	6.75	-73.50
CC(C)[N@@H+]1CCOC(CN2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C1	REAL300013713374	0	60	0.0	-77.25	432.24	6.00	-71.25
CC(C)[N@H+]1CCOC(CN2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C1	REAL300013713374	1	60	0.0	-78.05	425.51	5.95	-72.10
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013713378	0	54	0.0	-80.77	404.43	9.44	-71.33
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013713378	1	54	0.0	-79.72	399.05	9.15	-70.57
C[N@H+](CCN(CC1=CC=CC=C1)C(=O)NCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013713380	0	60	0.0	-74.69	451.86	13.07	-61.62
C[N@@H+](CCN(CC1=CC=CC=C1)C(=O)NCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013713380	1	60	0.0	-75.75	451.49	13.06	-62.69
C[NH+]1CCC(N(CC2=CC=CC=C2)C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013713381	0	54	0.0	-70.58	401.06	10.61	-59.97
CC(C)(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300013713385	0	55	0.0	-73.27	413.46	6.36	-66.91
CC(C)(CNC(=O)N1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013713398	0	49	0.0	-82.62	359.61	6.14	-76.48
CC1=CC(N2CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013713400	1	52	0.0	-70.21	401.62	5.90	-64.31
CC(C)[NH+]1CCN(C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013713421	0	59	0.0	-75.20	407.38	6.77	-68.43
CC(C)N1CC[NH+](C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013713421	1	59	0.0	-78.05	411.72	6.99	-71.06
CC(C)(CNC(=O)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1)C(=O)[O-]	REAL300013713433	0	58	0.0	-83.40	424.25	10.94	-72.46
CC(C)(CNC(=O)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1)C(=O)[O-]	REAL300013713433	1	58	0.0	-83.52	424.13	10.95	-72.57
C[N@@H+]1CCC(CNC(=O)NCC(C)(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013713440	0	51	0.0	-82.05	414.79	8.78	-73.27
C[N@H+]1CCC(CNC(=O)NCC(C)(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013713440	1	51	0.0	-80.46	413.89	8.86	-71.60
C[NH+](C)CCOC1=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=CC=N1	REAL300013713441	0	50	0.0	-74.76	397.00	4.22	-70.54
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1CC1	REAL300013713455	0	54	0.0	-76.64	402.19	10.03	-66.61
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1CC1	REAL300013713455	1	54	0.0	-75.02	410.25	9.40	-65.62
CC(C)(CNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300013713510	0	57	0.0	-76.67	399.80	7.79	-68.88
C[N@@H+]1CCN(CCNC(=O)NCC(C)(C)C(=O)[O-])CC1(C)C	REAL300013713511	0	52	0.0	-70.05	372.68	3.70	-66.35
C[N@H+]1CCN(CCNC(=O)NCC(C)(C)C(=O)[O-])CC1(C)C	REAL300013713511	1	52	0.0	-72.14	375.19	3.88	-68.26
CSC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013713524	0	51	0.0	-77.24	400.56	8.05	-69.19
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013713553	1	55	0.0	-78.34	416.66	6.83	-71.51
CC1CC(NC(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013713582	0	54	0.0	-74.69	406.15	8.71	-65.98
CC1CC(NC(=O)NCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013713582	1	54	0.0	-76.80	402.12	9.07	-67.73
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013713585	0	65	0.0	-71.87	458.76	8.54	-63.33
CC(C)(CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013713597	0	54	0.0	-74.66	388.26	7.70	-66.96
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013713598	0	60	0.0	-83.89	443.50	5.88	-78.01
CC(C)CC[NH+]1CCC(CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013713601	0	56	0.0	-78.80	410.58	8.02	-70.78
COC1CC[NH+](CCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013713602	0	48	0.0	-78.07	364.13	4.28	-73.79
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC1[NH+]1CCOCC1	REAL300013713603	1	49	0.0	-75.85	359.30	5.52	-70.33
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])CCC1[NH+]1CCN(C)CC1	REAL300013713620	0	56	0.0	-78.63	392.88	6.73	-71.90
CC(C)(CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(=O)[O-]	REAL300013713623	0	54	0.0	-75.66	393.97	7.99	-67.67
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013713639	0	54	0.0	-75.58	395.50	9.99	-65.59
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013713639	1	54	0.0	-78.28	392.30	10.35	-67.93
CCCC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+]1CCOC	REAL300013713642	0	54	0.0	-74.25	393.47	7.06	-67.19
CCCC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@H+]1CCOC	REAL300013713642	1	54	0.0	-76.50	388.84	7.25	-69.25
COCC[N@H+](C)CCCC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013713643	0	60	0.0	-79.63	437.50	8.76	-70.87
COCC[N@@H+](C)CCCC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013713643	1	60	0.0	-80.08	437.05	8.74	-71.34
C[NH+](C)CCCC1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013713644	0	53	0.0	-80.64	386.72	8.89	-71.75
CC(C)(CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013713679	0	52	0.0	-72.08	377.25	6.95	-65.13
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013713688	0	53	0.0	-75.52	381.89	7.32	-68.20
CC(C)(CNC(=O)NCC1CCC[N@@H+]1CCCO)C(=O)[O-]	REAL300013713689	0	48	0.0	-74.11	360.24	2.25	-71.86
CC(C)(CNC(=O)NCC1CCC[N@H+]1CCCO)C(=O)[O-]	REAL300013713689	1	48	0.0	-75.74	363.90	3.04	-72.70
CC(C)(CNC(=O)NC1CCC[N@H+](CCCO)C1)C(=O)[O-]	REAL300013713692	0	48	0.0	-80.85	358.89	3.27	-77.58
CC(C)(CNC(=O)NC1CCC[N@@H+](CCCO)C1)C(=O)[O-]	REAL300013713692	1	48	0.0	-80.98	359.46	3.25	-77.73
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013713717	0	51	0.0	-72.54	375.15	5.10	-67.44
CC(C)C[N@H+]1CCOC(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013713717	1	51	0.0	-76.83	382.43	5.17	-71.66
CC(C)(CNC(=O)N1CC[NH+](CC2=CC=CC3=CC=CC=C32)CC1)C(=O)[O-]	REAL300013713729	0	54	0.0	-81.99	406.29	11.16	-70.83
C[N@@H+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013713734	1	48	0.0	-83.10	350.55	8.15	-74.95
C[N@H+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013713734	1	48	0.0	-83.04	357.94	8.55	-74.49
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013713741	0	50	0.0	-85.43	382.47	9.59	-75.84
C[NH+](C)CC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013713744	0	47	0.0	-79.74	369.59	7.04	-72.70
CC(C)(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300013713762	0	52	0.0	-73.45	376.94	7.18	-66.27
CC(C)(CNC(=O)N1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013713787	0	44	0.0	-76.28	335.17	5.20	-71.08
C[N@H+](CCCNC(=O)NCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013713796	0	50	0.0	-79.44	387.37	7.77	-71.67
C[N@@H+](CCCNC(=O)NCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013713796	1	50	0.0	-79.55	387.91	7.78	-71.77
COC1=CC=C(N2CC[NH+](CCCNC(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013713797	0	60	0.0	-84.23	451.24	6.27	-77.96
CC[NH+](CC)CC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013713811	0	53	0.0	-77.42	406.29	8.40	-69.02
CC(C)(CNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013713812	0	51	0.0	-83.26	405.30	8.72	-74.54
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013713819	0	53	0.0	-66.32	394.45	8.31	-58.01
CC(C)(CNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013713820	0	54	0.0	-78.63	411.38	8.83	-69.80
CC(C)(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300013713858	0	51	0.0	-67.35	388.55	8.39	-58.96
CC[NH+](CC)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300013713905	0	57	0.0	-71.06	420.17	6.95	-64.11
CC(C)(CNC(=O)N1CC[NH+](CCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013713908	1	51	0.0	-82.69	386.72	9.82	-72.87
CC(C)(CNC(=O)N1CCC[N@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013713914	0	51	0.0	-77.90	377.91	10.20	-67.70
CC(C)(CNC(=O)N1CCC[N@@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013713914	1	51	0.0	-77.78	378.25	10.24	-67.54
CC(C)(CNC(=O)N1CCC[N@H+](CC2=CC=C(C#N)C=C2)CC1)C(=O)[O-]	REAL300013713915	0	52	0.0	-90.74	399.37	10.55	-80.19
CC(C)(CNC(=O)N1CCC[N@@H+](CC2=CC=C(C#N)C=C2)CC1)C(=O)[O-]	REAL300013713915	1	52	0.0	-90.75	399.36	10.54	-80.21
CC1=CC=C(C[N@@H+]2CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013713916	0	54	0.0	-78.12	399.88	10.83	-67.29
CC1=CC=C(C[N@H+]2CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013713916	1	54	0.0	-77.86	399.71	10.89	-66.97
CC(C)(CNC(=O)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013713929	1	51	0.0	-83.43	384.10	10.28	-73.15
CC(C)(CNC(=O)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013713929	1	51	0.0	-83.58	384.32	10.24	-73.34
COC1=CC=C(C[N@@H+]2CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013713930	0	55	0.0	-80.69	407.99	9.46	-71.23
COC1=CC=C(C[N@H+]2CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013713930	1	55	0.0	-81.14	407.19	9.51	-71.63
CC(C)(CNC(=O)N1CCC[N@H+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013713931	1	51	0.0	-82.57	395.00	10.72	-71.85
CC(C)(CNC(=O)N1CCC[N@@H+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013713931	1	51	0.0	-82.74	395.22	10.68	-72.06
CC(C)(CNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300013713943	1	48	0.0	-72.13	373.73	3.64	-68.49
CC1C[NH+](C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])CC(C)O1	REAL300013713944	1	54	0.0	-71.30	382.56	5.44	-65.86
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013713972	0	52	0.0	-79.81	401.07	5.59	-74.22
CC1C[NH+](CCCNC(=O)NCC(C)(C)C(=O)[O-])CC(C)O1	REAL300013713981	0	51	0.0	-79.47	385.49	5.12	-74.35
CC(C)C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCOCC1	REAL300013713988	1	51	0.0	-72.07	362.14	5.47	-66.60
CC(C)(CNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300013713989	1	50	0.0	-71.20	382.73	6.09	-65.11
CC(C)(CNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300013713990	1	47	0.0	-72.05	368.23	5.18	-66.87
CCC(CC)C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCOCC1	REAL300013713993	0	57	0.0	-73.16	395.02	6.10	-67.06
CC(C)C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCN(C)CC1	REAL300013713994	0	55	0.0	-72.06	392.09	5.39	-66.67
CC(C)C(CNC(=O)NCC(C)(C)C(=O)[O-])N1CC[NH+](C)CC1	REAL300013713994	1	55	0.0	-77.91	391.99	4.66	-73.25
CC[NH+](CC)C(CNC(=O)NCC(C)(C)C(=O)[O-])CC(C)C	REAL300013713995	0	55	0.0	-71.55	386.97	7.91	-63.64
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013713998	0	51	0.0	-68.66	379.54	8.68	-59.98
CC(C)(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013714002	0	51	0.0	-72.03	387.84	8.22	-63.81
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013714010	0	57	0.0	-69.42	444.36	10.45	-58.97
CC(C)(CNC(=O)N1CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC1)C(=O)[O-]	REAL300013714015	1	50	0.0	-74.31	394.54	7.90	-66.41
CC(C)(CNC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300013714017	1	54	0.0	-82.77	415.20	6.60	-76.17
CC(C)(CNC(=O)N1CCC([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013714029	0	51	0.0	-77.75	359.97	8.16	-69.59
CC(C)(CNC(=O)N1CC[NH+](C(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013714040	1	58	0.0	-74.89	435.13	12.57	-62.32
CC(C)(CNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013714041	1	48	0.0	-80.13	364.13	8.96	-71.17
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714062	1	57	0.0	-76.71	415.69	8.83	-67.88
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714062	1	57	0.0	-76.38	416.56	8.79	-67.59
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714063	0	54	0.0	-77.03	394.64	10.86	-66.17
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714063	1	54	0.0	-76.96	394.30	10.80	-66.16
CC(C)(CNC(=O)NC1CC[NH+](CCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013714072	0	54	0.0	-79.72	410.96	9.09	-70.63
C[NH+](C)CCN1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714073	0	52	0.0	-76.41	385.02	4.19	-72.22
CN(C)CC[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714073	1	52	0.0	-76.12	385.00	4.10	-72.02
CC(C)(CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013714074	0	50	0.0	-74.37	384.47	6.42	-67.95
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714075	0	54	0.0	-77.92	404.91	8.89	-69.03
CC1CC[NH+](CC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013714076	0	57	0.0	-79.28	431.99	9.50	-69.78
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013714077	0	57	0.0	-76.18	428.35	9.36	-66.82
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013714077	1	57	0.0	-76.19	428.35	9.37	-66.82
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013714078	0	57	0.0	-65.37	415.32	9.35	-56.02
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013714078	1	57	0.0	-66.33	418.01	10.19	-56.14
CC1C[NH+](CC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC(C)O1	REAL300013714079	0	58	0.0	-81.39	445.00	7.91	-73.48
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)C1	REAL300013714080	0	57	0.0	-78.80	432.58	9.48	-69.32
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)C1	REAL300013714080	1	57	0.0	-78.72	432.52	9.48	-69.24
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013714081	0	57	0.0	-67.78	425.68	9.72	-58.06
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013714081	1	57	0.0	-67.46	422.89	10.39	-57.07
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013714082	0	53	0.0	-68.00	398.22	8.42	-59.58
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013714082	1	53	0.0	-67.83	393.34	8.93	-58.90
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013714083	0	51	0.0	-78.83	400.00	6.79	-72.04
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013714084	0	51	0.0	-77.38	399.99	6.80	-70.58
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013714090	1	55	0.0	-86.55	425.04	6.88	-79.67
CC1CCN(C2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=[NH+]2)CC1	REAL300013714093	1	53	0.0	-69.81	404.08	6.67	-63.14
CC(C)(CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300013714094	1	47	0.0	-69.36	364.20	5.18	-64.18
CC(C)(CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300013714095	1	48	0.0	-73.43	373.77	3.66	-69.77
CC(C)(CNC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013714096	0	51	0.0	-75.99	389.49	8.24	-67.75
CC(C)(CNC(=O)NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013714104	0	57	0.0	-87.71	435.20	5.86	-81.85
CCN(CC)C1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=[NH+]1	REAL300013714118	1	49	0.0	-68.38	385.24	7.17	-61.21
C[NH+]1CCN(C2=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=CC=N2)CC1	REAL300013714119	0	52	0.0	-77.88	401.70	5.60	-72.28
CC(C)(CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013714120	1	53	0.0	-69.04	394.64	6.42	-62.62
CC1CN(C2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=[NH+]2)CCO1	REAL300013714121	1	51	0.0	-72.45	395.26	4.16	-68.29
CC(C)(CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013714122	1	50	0.0	-69.71	382.40	5.92	-63.79
CC(C)(CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300013714143	1	48	0.0	-76.77	377.00	3.93	-72.84
CC(C)(CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300013714144	0	51	0.0	-76.29	396.07	8.22	-68.07
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013714145	0	53	0.0	-75.49	405.71	8.39	-67.10
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013714159	0	53	0.0	-85.36	406.61	10.44	-74.92
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013714160	0	51	0.0	-91.16	408.37	10.21	-80.95
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013714196	0	57	0.0	-77.24	434.61	8.15	-69.09
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013714197	0	57	0.0	-70.02	433.60	8.21	-61.81
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013714199	0	55	0.0	-78.59	418.81	6.28	-72.31
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013714200	0	59	0.0	-76.54	445.98	7.09	-69.45
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013714200	1	59	0.0	-80.54	446.34	7.11	-73.43
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714201	0	59	0.0	-70.27	440.30	8.05	-62.22
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714201	1	59	0.0	-66.31	437.25	8.03	-58.28
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)C1	REAL300013714203	0	60	0.0	-79.01	452.77	10.07	-68.94
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013714204	0	60	0.0	-67.14	444.29	10.98	-56.16
CC(C)(CNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1)C(=O)[O-]	REAL300013714211	1	54	0.0	-73.37	421.58	8.20	-65.17
CC(C)(CNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013714213	0	51	0.0	-74.83	400.81	9.41	-65.42
C[NH+]1CCN(C(=O)CCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714214	1	48	0.0	-92.48	369.53	4.25	-88.23
CC[NH+](CC)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CSC=C1	REAL300013714218	0	50	0.0	-71.28	379.89	6.99	-64.29
CC(C)C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300013714219	0	56	0.0	-70.93	393.41	8.61	-62.32
CC[NH+](CC)C(CNC(=O)NCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013714220	0	56	0.0	-70.69	408.38	8.59	-62.10
CC(C)(CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013714221	0	61	0.0	-88.41	453.31	7.80	-80.61
CC(C)(CNC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013714222	0	48	0.0	-79.31	369.04	7.43	-71.88
CC(C)(CNC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013714222	1	48	0.0	-79.35	369.04	7.42	-71.93
CCC(CNC(=O)NCC(C)(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013714224	0	54	0.0	-74.98	396.46	9.36	-65.62
CCC(CNC(=O)NCC(C)(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013714224	1	54	0.0	-75.92	395.24	9.41	-66.51
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300013714225	0	53	0.0	-76.19	373.50	7.76	-68.43
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CSC=C1	REAL300013714227	0	44	0.0	-75.10	352.58	6.00	-69.10
C[N@H+](CCCNC(=O)NCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300013714228	0	53	0.0	-76.88	386.76	7.26	-69.62
C[N@@H+](CCCNC(=O)NCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300013714228	1	53	0.0	-77.05	387.34	7.22	-69.83
CC1CC(C)C[NH+](CCCNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013714230	0	53	0.0	-76.45	394.01	7.26	-69.19
CC(C)(CNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013714231	0	51	0.0	-80.72	391.12	8.20	-72.52
CC(C)(CNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013714231	1	51	0.0	-80.73	391.12	8.20	-72.53
CC(C)(CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013714234	0	51	0.0	-63.36	389.52	8.46	-54.90
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013714237	0	47	0.0	-74.03	360.35	7.02	-67.01
CN1CC[N@H+](CCCNC(=O)NCC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013714262	0	59	0.0	-78.51	431.83	6.42	-72.09
CN1CC[N@@H+](CCCNC(=O)NCC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013714262	1	59	0.0	-76.94	443.42	7.02	-69.92
C[N@@H+]1CCN(CCCNC(=O)NCC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013714262	1	59	0.0	-82.24	436.81	6.95	-75.29
C[N@H+]1CCN(CCCNC(=O)NCC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013714262	1	59	0.0	-82.01	437.84	7.10	-74.91
CC(C)(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013714263	0	56	0.0	-81.83	421.72	6.99	-74.84
CC(C)(CNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013714264	0	59	0.0	-79.14	445.47	7.14	-72.00
CC(C)(CNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013714264	1	59	0.0	-79.78	446.07	7.18	-72.60
CC(C)(CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013714265	0	52	0.0	-83.38	376.49	6.98	-76.40
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714271	0	63	0.0	-84.68	458.07	7.73	-76.95
CC1CC[NH+](CCCCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714315	0	53	0.0	-76.89	394.24	7.44	-69.45
CC1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013714316	0	53	0.0	-74.23	390.52	7.32	-66.91
CC1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013714316	1	53	0.0	-74.76	383.77	7.02	-67.74
CC1CCC[N@H+](CCCCNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013714317	0	53	0.0	-76.28	394.69	7.44	-68.84
CC1CCC[N@@H+](CCCCNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013714317	1	53	0.0	-76.34	395.28	7.43	-68.91
CCN1CC[NH+](CCCCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714318	0	55	0.0	-77.25	409.03	5.06	-72.19
CC[NH+]1CCN(CCCCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714318	1	55	0.0	-74.95	407.94	5.06	-69.89
CC1CC(C)C[NH+](CCCCNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013714320	0	56	0.0	-76.79	416.09	8.02	-68.77
CC(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013714338	1	56	0.0	-77.72	409.87	6.80	-70.92
CC(C)(CNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013714339	1	53	0.0	-82.92	406.07	6.26	-76.66
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCC(C)(C)C(=O)[O-])CC2)=C1	REAL300013714341	0	59	0.0	-81.74	442.54	7.65	-74.09
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NCC(C)(C)C(=O)[O-])CC2)=C1	REAL300013714342	0	62	0.0	-81.83	464.04	8.42	-73.41
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714343	1	54	0.0	-77.46	411.30	4.65	-72.81
C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013714345	1	55	0.0	-94.21	401.56	7.29	-86.92
C=CC[NH+](CC=C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C(C)C	REAL300013714358	0	54	0.0	-70.78	391.51	8.13	-62.65
COC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013714360	0	55	0.0	-74.64	416.33	7.42	-67.22
CC(C)(CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300013714361	0	57	0.0	-72.25	387.18	8.70	-63.55
COC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013714362	0	51	0.0	-76.89	389.85	6.33	-70.56
CC(C)(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300013714378	0	51	0.0	-72.68	381.29	7.09	-65.59
CC(C)(CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013714381	0	55	0.0	-73.18	381.64	5.54	-67.64
COC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300013714382	0	58	0.0	-75.13	425.17	7.81	-67.32
COC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1OC	REAL300013714393	0	55	0.0	-82.10	415.94	7.14	-74.96
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CS1	REAL300013714396	0	44	0.0	-75.98	345.40	5.78	-70.20
CC(C)(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300013714426	0	48	0.0	-73.39	363.96	6.31	-67.08
COC1=CC=CC=C1C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCCC1	REAL300013714440	0	55	0.0	-71.00	410.04	8.20	-62.80
CC1CC[NH+](C(CNC(=O)NCC(C)(C)C(=O)[O-])C2=CC=CS2)CC1	REAL300013714441	0	54	0.0	-69.93	415.22	8.62	-61.31
CC[NH+](CC)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300013714443	0	53	0.0	-75.72	394.78	8.54	-67.18
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013714444	0	50	0.0	-73.90	373.75	8.41	-65.49
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC(F)=C1	REAL300013714447	0	47	0.0	-78.38	367.83	7.10	-71.28
CCC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013714448	0	53	0.0	-74.21	403.84	8.45	-65.76
CC(C)(CNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013714451	0	56	0.0	-77.99	424.36	6.44	-71.55
C[NH+]1CCN(C(CNC(=O)NCC(C)(C)C(=O)[O-])C2=CC=CS2)CC1	REAL300013714452	1	53	0.0	-75.85	407.11	5.48	-70.37
CC[NH+](CC)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013714453	0	53	0.0	-71.76	387.12	8.11	-63.65
CC(C)(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300013714454	0	48	0.0	-73.18	370.61	6.83	-66.35
CC(C)(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013714480	0	48	0.0	-78.69	373.02	7.66	-71.03
CC(C)(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013714480	1	48	0.0	-78.99	373.36	7.63	-71.36
CC(C)(CNC(=O)N1CC[NH+](CC2CCCO2)CC1)C(=O)[O-]	REAL300013714484	1	49	0.0	-75.71	360.80	6.48	-69.23
COC1=CC=CC(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300013714491	0	55	0.0	-72.62	406.76	7.11	-65.51
CC(C)(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300013714492	0	51	0.0	-71.15	395.99	8.96	-62.19
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300013714493	1	47	0.0	-75.34	369.51	7.74	-67.60
CC1=CC=CC(C[NH+]2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)=C1	REAL300013714494	1	51	0.0	-80.25	385.58	9.63	-70.62
CC1=CC=CC=C1C[NH+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714501	1	51	0.0	-79.12	380.26	9.61	-69.51
C[NH+](C)CC1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013714519	0	47	0.0	-77.70	369.58	7.03	-70.67
C[NH+](C)C1(CNC(=O)NCC(C)(C)C(=O)[O-])CCCCCC1	REAL300013714560	0	53	0.0	-74.83	357.46	6.96	-67.87
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013714573	0	53	0.0	-68.71	403.78	9.89	-58.82
CC[NH+](CC)CCN(CC(C)C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013714589	0	55	0.0	-69.39	388.33	9.08	-60.31
COCC(C)(C)[NH+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714614	0	51	0.0	-75.33	366.23	5.95	-69.38
CC(C)(CNC(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1)C(=O)[O-]	REAL300013714629	0	52	0.0	-78.27	392.54	9.62	-68.65
CC(C)(CNC(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1)C(=O)[O-]	REAL300013714629	1	52	0.0	-76.61	387.61	9.32	-67.29
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300013714635	0	57	0.0	-73.58	401.66	10.44	-63.14
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300013714635	1	57	0.0	-77.81	394.00	9.60	-68.21
CC(CNC(=O)NCC(C)(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013714641	1	51	0.0	-74.61	377.25	5.29	-69.32
CC(CNC(=O)NCC(C)(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013714641	1	51	0.0	-74.29	366.90	4.94	-69.35
CC[N@H+](CCCNC(=O)NCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300013714671	0	56	0.0	-75.93	400.09	7.57	-68.36
CC[N@@H+](CCCNC(=O)NCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300013714671	1	56	0.0	-75.78	400.43	7.61	-68.17
CCCCC[N@H+](CCNC(=O)NCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013714673	0	59	0.0	-75.67	437.43	9.37	-66.30
CCCCC[N@@H+](CCNC(=O)NCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013714673	1	59	0.0	-75.58	437.48	9.37	-66.21
C[N@@H+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C(CC2=CC=CC=C2)C1	REAL300013714674	1	51	0.0	-78.24	378.78	9.42	-68.82
C[N@H+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])C(CC2=CC=CC=C2)C1	REAL300013714674	1	51	0.0	-77.09	380.56	9.51	-67.58
CC(C)(CNC(=O)NC1CC[NH+](CC2=CC=CC(C#N)=C2)CC1)C(=O)[O-]	REAL300013714692	0	52	0.0	-90.39	410.30	8.63	-81.76
CC(C)(CNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013714700	1	48	0.0	-80.13	364.13	8.96	-71.17
CC[NH+](CC)CCN(CC1=CC=C(Cl)C=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013714731	0	56	0.0	-84.17	436.27	11.40	-72.77
CC[NH+](CC)CCCN(CC1=CC=C(Cl)C=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013714732	0	59	0.0	-82.93	459.71	12.45	-70.48
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013714741	0	50	0.0	-79.11	386.24	6.68	-72.43
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013714747	0	54	0.0	-80.99	410.62	10.15	-70.84
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013714747	1	54	0.0	-81.20	411.20	10.13	-71.07
CC(C)(CNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013714750	0	53	0.0	-86.93	403.98	7.10	-79.83
CC[N@@H+]1CCCC(CN(C)C(=O)NCC(C)(C)C(=O)[O-])C1C1=CN(C)N=C1	REAL300013714753	0	60	0.0	-78.29	439.12	9.19	-69.10
CC[N@H+]1CCCC(CN(C)C(=O)NCC(C)(C)C(=O)[O-])C1C1=CN(C)N=C1	REAL300013714753	1	60	0.0	-71.80	428.86	8.27	-63.53
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013714755	0	57	0.0	-76.99	418.44	5.30	-71.69
CC(C)(CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013714760	0	55	0.0	-79.80	395.98	5.75	-74.05
CC(C)(CNC(=O)NCC1=CC=C[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300013714777	1	47	0.0	-73.51	356.44	6.21	-67.30
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013714800	0	57	0.0	-79.42	416.55	11.36	-68.06
CC(C)[C@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013714800	1	57	0.0	-79.39	408.77	10.32	-69.07
CC(C)(CNC(=O)NC1(C[NH+]2CCN(C3=CC=CC=C3)CC2)CC1)C(=O)[O-]	REAL300013714809	0	57	0.0	-82.47	420.98	7.92	-74.55
CC(C)(CNC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300013714868	0	51	0.0	-74.97	373.84	7.09	-67.88
CC(C)(CNC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300013714868	1	51	0.0	-74.31	373.05	6.95	-67.36
CC(C)(CNC(=O)NCC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013714890	0	51	0.0	-78.17	381.43	7.57	-70.60
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013714895	1	56	0.0	-79.77	405.80	5.37	-74.40
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013714895	1	56	0.0	-80.32	413.89	6.60	-73.72
C[NH+](C)CCCC1CN(C(=O)NCC(C)(C)C(=O)[O-])CCO1	REAL300013714899	0	51	0.0	-76.99	380.78	6.80	-70.19
CC(C)(CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)[O-]	REAL300013714906	1	53	0.0	-77.24	388.71	6.13	-71.11
CC(C)(CNC(=O)NC1CC[NH+](C2CCOC2)CC1)C(=O)[O-]	REAL300013714913	0	49	0.0	-77.71	363.51	4.65	-73.06
CC(C)(CNC(=O)NC1(C[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1)C(=O)[O-]	REAL300013714918	0	57	0.0	-86.52	427.41	7.98	-78.54
CC(C)(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C(=O)[O-]	REAL300013714935	0	58	0.0	-81.58	435.42	9.75	-71.83
CC(C)(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C(=O)[O-]	REAL300013714935	1	58	0.0	-80.12	434.72	9.63	-70.49
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013714963	0	55	0.0	-75.99	413.08	7.36	-68.63
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013714963	1	55	0.0	-68.70	411.38	7.33	-61.37
CC(C)[NH+]1CCC(CCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714965	0	53	0.0	-73.65	383.12	6.87	-66.78
CC(C)(CNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013714967	0	57	0.0	-76.81	428.98	9.50	-67.31
CC(C)(CNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1)C(=O)[O-]	REAL300013714970	1	48	0.0	-75.41	383.52	5.71	-69.70
CCC1([NH+]2CCOCC2)CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013714989	0	55	0.0	-76.23	375.02	6.65	-69.58
CC(C)(CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013715013	0	51	0.0	-74.59	354.38	7.69	-66.90
CCC1([NH+]2CCCC2)CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013715019	0	54	0.0	-73.69	368.64	8.37	-65.32
C[NH+](C)CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013715022	0	47	0.0	-66.73	391.01	8.31	-58.42
COCCN(CC1CC[NH+](C)CC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013715028	0	54	0.0	-79.48	397.19	8.04	-71.44
C[NH+]1CCC2(CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013715030	0	51	0.0	-83.18	356.94	7.86	-75.32
CC(C)(CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013715032	0	52	0.0	-77.31	359.75	5.92	-71.39
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013715036	0	48	0.0	-77.08	356.88	3.39	-73.69
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013715036	1	48	0.0	-77.13	358.91	3.21	-73.92
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013715043	0	54	0.0	-79.23	409.56	8.51	-70.72
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013715043	1	54	0.0	-79.13	408.83	8.55	-70.58
CC(C)(CNC(=O)NC1CCCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013715053	0	57	0.0	-79.01	409.34	9.35	-69.66
CC(C)(CNC(=O)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013715053	1	57	0.0	-77.36	410.58	9.35	-68.01
C[NH+]1CCC(N2C=C(NC(=O)NCC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013715073	0	48	0.0	-89.12	367.82	5.85	-83.27
CC(C)(CNC(=O)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013715129	0	54	0.0	-73.03	401.85	9.13	-63.90
CC(C)(CNC(=O)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013715129	1	54	0.0	-72.66	393.43	8.46	-64.20
CC(C)(CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013715138	0	54	0.0	-72.71	393.44	8.46	-64.25
CC(C)(CNC(=O)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013715138	1	54	0.0	-72.86	402.34	9.15	-63.71
CN1CC[NH+](C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013715140	0	53	0.0	-77.86	379.43	5.85	-72.01
C[NH+]1CCN(C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013715140	1	53	0.0	-77.31	376.86	5.82	-71.49
C[N@@H+]1CC2=CC=CC=C2C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013715144	1	45	0.0	-75.50	351.63	6.91	-68.59
C[N@H+]1CC2=CC=CC=C2C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013715144	1	45	0.0	-75.46	351.64	6.91	-68.55
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013715151	1	55	0.0	-78.82	418.90	7.23	-71.59
CC1=CC=CC=C1C[N@H+]1CCOC(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013715151	1	55	0.0	-78.22	418.51	7.31	-70.91
CC1=CC=C(C[N@@H+]2CCC(NC(=O)NCC(C)(C)C(=O)[O-])C2)C=C1	REAL300013715171	0	51	0.0	-78.59	393.41	8.23	-70.36
CC1=CC=C(C[N@H+]2CCC(NC(=O)NCC(C)(C)C(=O)[O-])C2)C=C1	REAL300013715171	1	51	0.0	-79.08	394.11	8.31	-70.77
CO[C@H]1C[C@@H](CNC(=O)NCC(C)(C)C(=O)[O-])N(C2=CC(C)=[NH+]C=N2)C1	REAL300013715182	1	53	0.0	-76.60	410.95	5.49	-71.11
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013715183	0	57	0.0	-72.91	418.82	10.80	-62.11
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013715183	1	57	0.0	-67.82	400.77	10.50	-57.32
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013715185	0	56	0.0	-80.10	404.34	9.71	-70.39
CN1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2=CC=C[NH+]=C21	REAL300013715196	1	44	0.0	-70.05	333.03	6.23	-63.82
CN(CCCC[NH+]1CCCCC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013715215	0	53	0.0	-72.17	391.60	9.20	-62.97
CC(C)(CNC(=O)NC1CCC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013715217	0	57	0.0	-82.30	414.30	4.30	-78.00
CC(C)(CNC(=O)NC1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013715217	1	57	0.0	-80.37	418.90	3.76	-76.61
CCC1=CC=C(C[NH+]2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013715232	1	54	0.0	-80.05	407.04	10.40	-69.65
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013715236	0	53	0.0	-81.23	403.88	6.21	-75.02
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013715238	1	51	0.0	-75.62	379.14	9.59	-66.03
CC(C)(CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013715239	0	55	0.0	-80.61	381.74	4.87	-75.74
CCC1([NH+]2CCCCC2)CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013715245	0	57	0.0	-72.84	383.59	9.11	-63.73
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C[C@H](C)O1	REAL300013715261	0	61	0.0	-82.14	434.76	9.06	-73.08
C[C@@H]1C[N@H+](CCC2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C[C@H](C)O1	REAL300013715261	1	61	0.0	-82.67	440.50	9.05	-73.62
C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C[C@H](C)O1	REAL300013715266	0	58	0.0	-82.00	412.70	8.49	-73.51
C[C@@H]1C[N@H+](CC2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C[C@H](C)O1	REAL300013715266	1	58	0.0	-83.71	419.41	8.46	-75.25
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013715276	0	57	0.0	-73.80	408.68	10.41	-63.39
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013715276	1	57	0.0	-73.23	420.42	10.80	-62.43
CC(C)(CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013715327	0	54	0.0	-74.96	369.46	8.37	-66.59
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCC(C)(C)C(=O)[O-])CCCCC1	REAL300013715329	0	60	0.0	-72.80	421.64	10.52	-62.28
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCC(C)(C)C(=O)[O-])CCCCC1	REAL300013715329	1	60	0.0	-74.33	424.76	9.70	-64.63
CC(C)(CNC(=O)N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1)C(=O)[O-]	REAL300013715331	0	55	0.0	-85.61	414.10	10.17	-75.44
CC(C)(CNC(=O)N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1)C(=O)[O-]	REAL300013715331	1	55	0.0	-74.21	414.66	10.17	-64.04
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCC(C)(C)C(=O)[O-])CCOCC1	REAL300013715356	0	58	0.0	-74.27	413.97	8.15	-66.12
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCC(C)(C)C(=O)[O-])CCOCC1	REAL300013715356	1	58	0.0	-75.32	413.77	8.04	-67.28
CC[N@@H+]1CCCN(C(=O)NCC(C)(C)C(=O)[O-])CCOCC1	REAL300013715396	0	51	0.0	-69.59	365.12	6.60	-62.99
CC[N@H+]1CCCN(C(=O)NCC(C)(C)C(=O)[O-])CCOCC1	REAL300013715396	1	51	0.0	-74.43	357.82	6.74	-67.69
CC(C)(CNC(=O)NC1CCC[N@@H+]2CCSCC12)C(=O)[O-]	REAL300013715403	0	46	0.0	-79.95	347.69	6.89	-73.06
CC(C)(CNC(=O)NC1CCC[N@H+]2CCSCC12)C(=O)[O-]	REAL300013715403	1	46	0.0	-79.98	347.72	6.93	-73.05
CC(C)(CNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013715442	0	54	0.0	-75.51	374.13	7.42	-68.09
CCC1([NH+]2CCC2)CCN(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013715447	0	51	0.0	-75.45	347.38	7.16	-68.29
CC(C)(CNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1)C(=O)[O-]	REAL300013715450	0	55	0.0	-82.23	405.78	10.31	-71.92
CC(C)(CNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1)C(=O)[O-]	REAL300013715450	1	55	0.0	-81.41	405.82	10.16	-71.25
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013715462	0	47	0.0	-76.65	349.77	5.75	-70.90
C[NH+](C)CCC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CN=C1	REAL300013715480	0	49	0.0	-81.11	384.10	6.68	-74.43
CC(C)(CNC(=O)N1CCN(C2=NC(N)=[NH+]C(C3CC3)=N2)CC1)C(=O)[O-]	REAL300013715540	1	51	0.0	-69.85	394.41	8.90	-60.95
CC(C)(CNC(=O)N1CCN(C2=NC(N)=NC(C3CC3)=[NH+]2)CC1)C(=O)[O-]	REAL300013715540	1	51	0.0	-68.97	393.69	8.83	-60.14
CC(C)(CNC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013715594	0	58	0.0	-79.40	447.74	11.17	-68.23
CC(C)(CNC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013715594	1	58	0.0	-81.50	449.91	11.04	-70.46
CC(C)(CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)C(=O)[O-]	REAL300013715601	0	51	0.0	-76.81	359.70	6.80	-70.01
CC[NH+](CC)CC(CC)(CC)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013715603	0	55	0.0	-75.86	372.68	8.44	-67.42
CC(C)(CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013715682	0	55	0.0	-77.87	380.99	5.66	-72.21
CC(C)(CNC(=O)N1CCC2C1CCC[N@@H+]2CCO)C(=O)[O-]	REAL300013715688	0	49	0.0	-76.46	358.77	4.01	-72.45
CC(C)(CNC(=O)N1CCC2C1CCC[N@H+]2CCO)C(=O)[O-]	REAL300013715688	1	49	0.0	-77.99	346.95	3.85	-74.14
CN(C)C1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013715705	0	55	0.0	-74.08	411.33	7.41	-66.67
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013715706	0	57	0.0	-81.75	426.58	9.35	-72.40
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013715706	1	57	0.0	-75.15	419.35	9.14	-66.01
CC(C)(CNC(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013715736	0	58	0.0	-84.24	426.51	9.53	-74.71
CC(C)(CNC(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013715736	1	58	0.0	-84.30	426.75	9.77	-74.53
C[C@@H]1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013715753	1	51	0.0	-77.61	376.59	9.55	-68.06
C[C@@H]1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013715753	1	51	0.0	-75.28	380.22	9.41	-65.87
C[NH+](C)C1CCC2CN(C(=O)NCC(C)(C)C(=O)[O-])CC2C1	REAL300013715779	0	51	0.0	-80.87	369.33	7.91	-72.96
CCN1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@H+](CC)CC1	REAL300013715792	0	55	0.0	-79.98	372.97	6.08	-73.90
CCN1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+](CC)CC1	REAL300013715792	1	55	0.0	-80.39	373.21	6.13	-74.26
CC(C)(CNC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013715798	0	47	0.0	-74.71	360.92	4.44	-70.27
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013715806	0	58	0.0	-74.11	405.53	5.25	-68.86
CC(C)(CNC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300013715810	0	47	0.0	-70.28	347.24	4.16	-66.12
CC(C)(CNC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300013715810	1	47	0.0	-74.79	353.47	4.15	-70.64
CC[NH+](CC)CCC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013715811	0	56	0.0	-76.87	425.67	9.77	-67.10
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013715821	0	48	0.0	-84.49	379.95	5.97	-78.52
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)NCC(C)(C)C(=O)[O-])CC2	REAL300013715833	1	47	0.0	-72.42	359.54	6.97	-65.45
CN(CCC[NH+]1CCOCC1)C(=O)NCC(C)(C)C(=O)[O-]	REAL300013715834	1	48	0.0	-73.51	360.97	6.03	-67.48
COC(=O)[C@]12CN(C(=O)NCC(C)(C)C(=O)[O-])C[C@H]1C[N@H+](C)CC2	REAL300013715837	0	51	0.0	-72.76	380.47	7.39	-65.37
COC(=O)[C@]12CN(C(=O)NCC(C)(C)C(=O)[O-])C[C@H]1C[N@@H+](C)CC2	REAL300013715837	1	51	0.0	-86.01	384.93	7.11	-78.90
CN(C(=O)NCC(C)(C)C(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300013715857	0	53	0.0	-72.56	372.13	8.11	-64.45
CC(C)(CNC(=O)NC1CC[NH+](CC2CCCO2)CC1)C(=O)[O-]	REAL300013715865	0	52	0.0	-73.86	385.85	5.70	-68.16
CC(C)(CNC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013715874	1	53	0.0	-79.25	399.64	6.20	-73.05
CC(C)(CNC(=O)NCC[NH+]1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300013715894	1	45	0.0	-78.17	351.05	6.49	-71.68
CC(C)(CNC(=O)NC1CC2CCCC(C1)[NH+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300013715898	0	58	0.0	-78.20	415.32	9.22	-68.98
CO[C@@H]1C[C@@H](CNC(=O)NCC(C)(C)C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300013715903	0	55	0.0	-74.01	426.64	7.18	-66.83
CO[C@@H]1C[C@@H](CNC(=O)NCC(C)(C)C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300013715903	1	55	0.0	-71.24	418.85	6.68	-64.56
CC(C)(CNC(=O)NC1(C)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013715907	0	51	0.0	-80.41	387.56	7.91	-72.50
CC(C)(CNC(=O)NC1(C)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013715907	1	51	0.0	-79.58	385.64	7.85	-71.73
CC(C)(CNC(=O)N1CC[NH+](C2CCCC2O)CC1)C(=O)[O-]	REAL300013715928	0	49	0.0	-75.48	357.64	4.64	-70.84
CC1C[N@H+](CC2CN(C)CCO2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013715940	1	57	0.0	-77.59	409.62	5.18	-72.41
CC1C[N@@H+](CC2CN(C)CCO2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013715940	1	57	0.0	-76.91	412.06	5.42	-71.49
CC1CN(CC2C[N@H+](C)CCO2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013715940	1	57	0.0	-78.20	397.88	4.93	-73.27
CC1CN(CC2C[N@@H+](C)CCO2)CCN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013715940	1	57	0.0	-79.76	397.95	4.92	-74.84
C[NH+]1CCC(CNC(=O)NCC(C)(C)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300013715948	0	54	0.0	-77.30	396.25	8.40	-68.90
CC(C)(CNC(=O)N1CCC([N@@H+]2CCC(O)C2)CC1)C(=O)[O-]	REAL300013715962	0	49	0.0	-79.28	359.43	4.40	-74.88
CC(C)(CNC(=O)N1CCC([N@H+]2CCC(O)C2)CC1)C(=O)[O-]	REAL300013715962	1	49	0.0	-79.33	360.00	4.34	-74.99
CC(C)(CNC(=O)N1CCCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013715991	0	52	0.0	-79.34	366.82	6.87	-72.47
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013715993	1	51	0.0	-77.49	376.48	9.58	-67.91
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013715993	1	51	0.0	-78.53	375.83	9.57	-68.96
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300013717009	0	57	0.0	-77.49	411.71	10.72	-66.77
CC1CN(C(=O)NCC(C)(C)C(=O)[O-])C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300013717009	1	57	0.0	-72.29	403.40	11.24	-61.05
CC(C)(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1)C(=O)[O-]	REAL300013717018	0	58	0.0	-79.55	419.08	11.27	-68.28
CC(C)(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1)C(=O)[O-]	REAL300013717018	1	58	0.0	-75.35	423.98	11.20	-64.15
CC[N@@H+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC12CCOC2	REAL300013717079	1	49	0.0	-77.29	348.50	5.65	-71.64
CC[N@H+]1CCN(C(=O)NCC(C)(C)C(=O)[O-])CC12CCOC2	REAL300013717079	1	49	0.0	-76.20	347.64	5.46	-70.74
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013717114	0	60	0.0	-78.44	455.29	9.24	-69.20
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013717114	1	60	0.0	-82.07	452.57	8.60	-73.47
CN(C(=O)NCC(C)(C)C(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013717119	0	54	0.0	-71.29	397.66	11.27	-60.02
CN(C(=O)NCC(C)(C)C(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300013717155	0	47	0.0	-79.32	357.10	5.66	-73.66
CN(C)C1=CC=C(CCNC(=O)NCC(C)(C)C(=O)[O-])C=[NH+]1	REAL300013717191	1	46	0.0	-69.48	363.11	6.05	-63.43
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013717216	0	60	0.0	-81.15	454.81	6.58	-74.57
CC(C)(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300013717231	0	59	0.0	-73.57	428.09	7.59	-65.98
CC(C)(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2)C(=O)[O-]	REAL300013717231	1	59	0.0	-74.07	427.74	7.64	-66.43
C[N@@H+]1CC(NC(=O)NCC(C)(C)C(=O)[O-])CC12CCOCC2	REAL300013717234	0	49	0.0	-71.11	356.44	4.09	-67.02
C[N@H+]1CC(NC(=O)NCC(C)(C)C(=O)[O-])CC12CCOCC2	REAL300013717234	1	49	0.0	-71.03	350.86	4.03	-67.00
CC(C)(CNC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013717246	1	52	0.0	-78.24	362.79	6.70	-71.54
CC1=CC=C(C[NH+]2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013717250	1	51	0.0	-79.94	384.98	9.65	-70.29
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013717257	0	48	0.0	-73.15	346.35	3.85	-69.30
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC(C)(C)C(=O)[O-]	REAL300013717257	1	48	0.0	-74.22	343.94	4.22	-70.00
CC(C)(CNC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013717269	0	54	0.0	-74.38	392.75	7.93	-66.45
CC(C)(CNC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013717269	1	54	0.0	-74.64	392.18	7.89	-66.75
C[NH+](C)CCC1CN(C(=O)NCC(C)(C)C(=O)[O-])CCO1	REAL300013717281	0	48	0.0	-78.34	359.87	6.00	-72.34
CC(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013717301	1	49	0.0	-67.32	378.25	6.64	-60.68
CN(C)C1=CC=C(C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])C=[NH+]1	REAL300013717303	1	52	0.0	-65.50	391.56	7.13	-58.37
CCCC1=[NH+]C=CN1C1CCCN(C(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013717365	1	52	0.0	-67.29	394.15	9.48	-57.81
CC(C)(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013717448	0	54	0.0	-71.32	404.68	8.30	-63.02
CC(C)(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013717448	1	54	0.0	-71.30	404.72	8.28	-63.02
C[NH+](C)CC1=CC=C(CCNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013717471	0	50	0.0	-78.20	391.62	7.80	-70.40
CC(C)(CNC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013717477	0	54	0.0	-78.24	398.96	8.70	-69.54
CC(C)(CNC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013717477	1	54	0.0	-77.89	400.20	8.78	-69.11
C[C@@H]1C[N@H+](C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C[C@H](C)O1	REAL300013717534	0	55	0.0	-79.16	397.26	7.54	-71.62
C[C@@H]1C[N@@H+](C2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)C[C@H](C)O1	REAL300013717534	1	55	0.0	-80.04	389.71	7.51	-72.53
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1F	REAL300013717567	1	45	0.0	-38.55	361.45	7.26	-31.29
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C(F)=C1	REAL300013717639	1	45	0.0	-38.13	363.33	7.24	-30.89
O=C([O-])C1CCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC1	REAL300013717681	0	52	0.0	-70.29	388.13	10.01	-60.28
O=C([O-])C1=CC=C(CNC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C=C1	REAL300013717682	0	52	0.0	-74.66	411.86	9.67	-64.99
O=C([O-])C1CN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCO1	REAL300013717683	0	50	0.0	-74.56	381.35	8.48	-66.08
O=C([O-])C1CCC(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC1	REAL300013717684	0	55	0.0	-64.92	410.37	9.78	-55.14
O=C([O-])CCCCNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300013717685	0	51	0.0	-72.77	395.98	8.33	-64.44
O=C([O-])C1=CC(CNC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)=CC=C1	REAL300013717686	0	52	0.0	-72.90	412.25	9.64	-63.26
O=C([O-])CCNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300013717687	0	45	0.0	-68.88	352.98	6.75	-62.13
O=C([O-])CCCCCNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300013717688	0	54	0.0	-72.15	417.49	9.11	-63.04
CC(C)(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013717689	0	51	0.0	-72.03	387.84	8.22	-63.81
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013717690	0	52	0.0	-73.92	391.67	9.64	-64.28
CC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013717691	0	55	0.0	-59.31	404.86	10.88	-48.43
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC1	REAL300013717692	0	55	0.0	-71.92	401.77	10.32	-61.60
O=C([O-])CCCNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300013717693	0	48	0.0	-67.71	374.48	7.55	-60.16
CC1CCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC1C(=O)[O-]	REAL300013717694	0	55	0.0	-58.25	404.39	10.47	-47.78
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCOCC1	REAL300013717695	0	56	0.0	-57.54	415.18	7.54	-50.00
CC(C)(CCNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013717696	0	54	0.0	-68.91	407.78	8.43	-60.48
CCC(CC)(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013717697	0	57	0.0	-60.67	420.08	9.23	-51.44
CC(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013717698	0	48	0.0	-70.69	372.34	7.54	-63.15
CC(C)C(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013717699	0	54	0.0	-63.95	410.27	8.70	-55.25
CC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013717700	0	61	0.0	-73.80	436.70	9.71	-64.09
CC(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013717701	0	58	0.0	-64.04	443.36	10.87	-53.17
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013717702	0	52	0.0	-68.34	395.10	8.72	-59.62
O=C([O-])CCC1CCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC1	REAL300013717703	0	58	0.0	-73.54	428.98	11.49	-62.05
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C2	REAL300013717704	0	54	0.0	-69.74	395.45	7.76	-61.98
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCCC1	REAL300013717705	0	55	0.0	-59.09	412.56	9.61	-49.48
CC1CN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCC1C(=O)[O-]	REAL300013717706	0	55	0.0	-71.03	401.50	10.79	-60.24
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCC1	REAL300013717707	0	52	0.0	-60.81	395.78	8.77	-52.04
O=C([O-])CC(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1CC1	REAL300013717708	0	55	0.0	-69.06	420.16	9.54	-59.52
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC1	REAL300013717709	0	55	0.0	-71.92	401.77	10.32	-61.60
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)CC(=O)[O-]	REAL300013717710	0	60	0.0	-68.28	440.99	10.00	-58.28
O=C([O-])C1=CC=CC=C1CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300013717711	0	52	0.0	-62.74	405.47	9.79	-52.95
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013717712	0	56	0.0	-74.08	426.31	8.75	-65.33
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013717713	0	49	0.0	-67.90	380.09	8.12	-59.78
O=C([O-])CN1CCC(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC1	REAL300013717714	0	57	0.0	-70.35	427.42	7.19	-63.16
O=C([O-])[C@@H]1CCCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013717715	0	52	0.0	-57.59	388.41	10.01	-47.58
O=C([O-])[C@H]1CCCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013717716	0	52	0.0	-53.58	385.53	10.82	-42.76
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013717717	0	49	0.0	-67.25	379.56	8.12	-59.13
O=C([O-])[C@H]1C[C@H](NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013717718	0	49	0.0	-69.52	376.04	8.82	-60.70
O=C([O-])C1=CC(CNC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)=CC=C1	REAL300013717719	0	52	0.0	-72.90	412.25	9.64	-63.26
CCC(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013717720	0	51	0.0	-58.50	387.99	8.44	-50.06
O=C([O-])CCC1CCCCN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300013717721	0	58	0.0	-74.14	422.24	11.42	-62.72
O=C([O-])CCCCCCCNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300013717722	0	60	0.0	-74.24	460.48	10.67	-63.57
O=C([O-])CCCCCCNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300013717723	0	57	0.0	-74.81	438.98	9.89	-64.92
CN(CCCC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300013717724	0	51	0.0	-72.52	392.11	9.94	-62.58
CC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013717725	0	55	0.0	-73.95	403.25	10.79	-63.16
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013717726	0	59	0.0	-57.29	424.16	10.88	-46.41
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300013717727	0	55	0.0	-57.00	423.80	9.30	-47.70
O=C([O-])CCC1CCCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013717728	0	58	0.0	-74.59	429.37	11.48	-63.11
O=C([O-])C1CN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC2=CC=CC=C21	REAL300013717729	0	56	0.0	-70.07	421.03	12.77	-57.30
O=C([O-])C(=O)N1CCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CC1	REAL300013717730	0	53	0.0	-69.41	400.74	8.81	-60.60
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300013717731	0	55	0.0	-60.58	405.44	10.67	-49.91
O=C([O-])C1(O)CCCN(C(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013717732	0	53	0.0	-59.63	398.04	7.57	-52.06
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C2=CC=CC=C21	REAL300013717733	0	56	0.0	-70.86	432.53	10.80	-60.06
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CC[NH+](CC)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013718301	0	48	0.0	-61.63	351.64	4.27	-57.36
CC[NH+](CC)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013718302	0	53	0.0	-74.89	379.35	6.39	-68.50
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CC[NH+](CC)CCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013718306	0	49	0.0	-71.28	364.49	3.76	-67.52
CC[NH+](CC)CCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013718307	0	54	0.0	-71.77	402.96	8.07	-63.70
CC[NH+](CC)CCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013718308	0	52	0.0	-74.66	393.09	6.94	-67.72
CC[NH+](CC)CCNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013718309	0	51	0.0	-80.02	368.04	6.85	-73.17
CC[NH+](CC)CCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013718310	0	53	0.0	-78.10	394.82	7.80	-70.30
CC[NH+](CC)CCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013718311	0	48	0.0	-73.48	359.36	9.10	-64.38
CC[NH+](CC)CCNC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013718312	0	55	0.0	-67.25	415.22	6.27	-60.98
CC[NH+](CC)CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013718313	0	45	0.0	-67.12	334.08	5.07	-62.05
CC[NH+](CC)CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013718314	0	51	0.0	-64.50	384.25	8.91	-55.59
CC[NH+](CC)CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013718315	0	48	0.0	-71.28	365.23	7.07	-64.21
CC[NH+](CC)CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013718316	0	51	0.0	-79.67	377.66	6.40	-73.27
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O=C([O-])C[NH+]1CCC(NC(=O)NCCCN2CCCC2=O)CC1	REAL300013718510	1	49	0.0	-42.95	380.40	5.08	-37.87
O=C([O-])C[NH+]1CCC(NC(=O)NCCCN2C=CN=C2)CC1	REAL300013718607	1	45	0.0	-41.51	356.63	6.62	-34.89
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O=C([O-])C1CN(C(=O)NCCC[NH+]2CCOCC2)CCO1	REAL300013718633	1	44	0.0	-66.05	337.06	3.93	-62.12
O=C([O-])C1CCC(NC(=O)NCCC[NH+]2CCOCC2)CC1	REAL300013718634	1	49	0.0	-71.11	366.22	5.22	-65.89
O=C([O-])C1=CC(CNC(=O)NCCC[NH+]2CCOCC2)=CC=C1	REAL300013718635	1	46	0.0	-79.69	368.02	5.09	-74.60
O=C([O-])CCCCCNC(=O)NCCC[NH+]1CCOCC1	REAL300013718636	1	48	0.0	-77.79	373.25	4.55	-73.24
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1	REAL300013718637	1	56	0.0	-82.32	420.11	8.91	-73.41
CC1CC(C(=O)[O-])CN(C(=O)NCCC[NH+]2CCOCC2)C1	REAL300013718638	1	49	0.0	-63.35	360.89	6.29	-57.06
CC1(C(=O)[O-])CCN(C(=O)NCCC[NH+]2CCOCC2)CC1	REAL300013718639	1	49	0.0	-77.99	358.17	5.77	-72.22
CC1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1C(=O)[O-]	REAL300013718640	1	49	0.0	-64.64	363.78	6.01	-58.63
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCOCC2)CCOCC1	REAL300013718641	1	50	0.0	-68.15	370.34	3.15	-65.00
CC(C)(CCNC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300013718642	1	48	0.0	-74.75	362.96	3.87	-70.88
CCC(CC)(CNC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300013718643	1	51	0.0	-68.77	375.85	4.67	-64.10
CC(C)C(CNC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300013718644	1	48	0.0	-69.42	366.05	4.14	-65.28
CC(NC(=O)NCCC[NH+]1CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013718645	1	55	0.0	-80.85	403.09	5.55	-75.30
CC(CNC(=O)NCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013718646	1	52	0.0	-69.47	399.13	6.31	-63.16
O=C([O-])CCC1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1	REAL300013718647	1	52	0.0	-79.31	384.77	6.91	-72.40
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCCC[NH+]1CCOCC1)C2	REAL300013718648	1	48	0.0	-77.65	362.43	3.64	-74.01
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCOCC2)CCCC1	REAL300013718649	1	49	0.0	-68.07	368.71	5.03	-63.04
CC1CN(C(=O)NCCC[NH+]2CCOCC2)CCC1C(=O)[O-]	REAL300013718650	1	49	0.0	-75.71	357.42	6.19	-69.52
O=C([O-])CC(CNC(=O)NCCC[NH+]1CCOCC1)C1CC1	REAL300013718651	1	49	0.0	-77.60	375.76	4.96	-72.64
CC1(C(=O)[O-])CCN(C(=O)NCCC[NH+]2CCOCC2)CC1	REAL300013718652	1	49	0.0	-77.99	358.17	5.77	-72.22
CC(C)C[C@H](CNC(=O)NCCC[NH+]1CCOCC1)CC(=O)[O-]	REAL300013718653	1	54	0.0	-71.16	402.16	5.60	-65.56
O=C([O-])C1=CC=CC=C1CNC(=O)NCCC[NH+]1CCOCC1	REAL300013718654	1	46	0.0	-73.44	361.64	5.19	-68.25
COCC1(C(=O)[O-])CCN(C(=O)NCCC[NH+]2CCOCC2)C1	REAL300013718655	1	50	0.0	-79.82	381.97	4.16	-75.66
O=C([O-])C[NH+]1CCC(NC(=O)NCCCN2CCOCC2)CC1	REAL300013718656	1	51	0.0	-41.54	382.68	2.49	-39.05
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCCC[NH+]3CCOCC3)C2)C=N1	REAL300013718657	1	56	0.0	-78.80	422.26	6.93	-71.87
O=C([O-])C1=CC(CNC(=O)NCCC[NH+]2CCOCC2)=CC=C1	REAL300013718658	1	46	0.0	-79.69	368.02	5.09	-74.60
COC(=O)C1CC2(C1)CN(C(=O)NCCC[NH+]1CCOCC1)CC2C(=O)[O-]	REAL300013718659	1	56	0.0	-72.95	428.56	6.95	-66.00
O=C([O-])CCC1CCCCN1C(=O)NCCC[NH+]1CCOCC1	REAL300013718660	1	52	0.0	-83.24	378.64	6.86	-76.38
O=C([O-])CCCCCCCNC(=O)NCCC[NH+]1CCOCC1	REAL300013718661	1	54	0.0	-79.91	416.25	6.11	-73.80
O=C([O-])CCCCCCNC(=O)NCCC[NH+]1CCOCC1	REAL300013718662	1	51	0.0	-80.68	394.75	5.33	-75.35
CC1(C(=O)[O-])CCCN(C(=O)NCCC[NH+]2CCOCC2)C1	REAL300013718663	1	49	0.0	-82.75	359.58	6.23	-76.52
COCC1(C(=O)[O-])CCCN(C(=O)NCCC[NH+]2CCOCC2)C1	REAL300013718664	1	53	0.0	-85.69	391.12	6.01	-79.68
COCCN(CCC(=O)[O-])C(=O)NCCC[NH+]1CCOCC1	REAL300013718665	1	49	0.0	-61.74	379.57	4.74	-57.00
O=C([O-])[C@]12CN(C(=O)NCCC[NH+]3CCOCC3)C[C@H]1C1=CC=CC=C1OC2	REAL300013718666	1	55	0.0	-83.82	417.99	6.96	-76.86
O=C([O-])CCC1CCCN(C(=O)NCCC[NH+]2CCOCC2)C1	REAL300013718667	1	52	0.0	-81.78	385.07	6.91	-74.87
O=C([O-])C1CN(C(=O)NCCC[NH+]2CCOCC2)CC2=CC=CC=C21	REAL300013718668	1	50	0.0	-80.45	378.10	7.99	-72.46
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCC[NH+]2CCOCC2)CCO1	REAL300013718669	1	57	0.0	-79.54	434.31	5.20	-74.34
O=C([O-])C(=O)N1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1	REAL300013718670	1	47	0.0	-71.93	357.26	4.22	-67.71
CC1CCC(C(=O)[O-])CN1C(=O)NCCC[NH+]1CCOCC1	REAL300013718671	1	49	0.0	-64.13	361.37	6.08	-58.05
O=C([O-])[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C1=CC=CC=C1	REAL300013718672	1	53	0.0	-69.68	407.42	8.07	-61.61
O=C([O-])C1(O)CCCN(C(=O)NCCC[NH+]2CCOCC2)C1	REAL300013718673	1	47	0.0	-79.17	354.34	3.03	-76.14
O=C([O-])C1CC(NC(=O)NCCC[NH+]2CCOCC2)C2=CC=CC=C21	REAL300013718674	1	50	0.0	-77.77	390.70	6.33	-71.44
O=C([O-])CN1CCCCC(NC(=O)NCCC[NH+]2CCOCC2)C1=O	REAL300013718675	1	53	0.0	-87.89	396.33	5.31	-82.58
COCC1(C(=O)[O-])CCN(C(=O)NCCC[NH+]2CCOCC2)CC1	REAL300013718676	1	53	0.0	-78.35	389.54	4.88	-73.47
O=C([O-])CC1(CNC(=O)NCCC[NH+]2CCOCC2)CCCCC1	REAL300013718677	1	55	0.0	-70.82	391.37	5.77	-65.05
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCCC[NH+]2CCOCC2)CC1	REAL300013718678	1	49	0.0	-71.28	364.90	5.18	-66.10
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCCC[NH+]2CCOCC2)CC1	REAL300013718679	1	52	0.0	-78.94	389.08	5.48	-73.46
O=C([O-])CC1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1	REAL300013718680	1	49	0.0	-78.94	362.46	6.13	-72.81
O=C([O-])COC1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1	REAL300013718681	1	50	0.0	-79.20	379.00	5.54	-73.66
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCCC[NH+]2CCOCC2)C1	REAL300013718682	1	49	0.0	-75.52	370.66	4.78	-70.74
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CC[NH+](CC)CCCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013719973	0	52	0.0	-73.00	382.22	4.27	-68.73
CC[NH+](CC)CCCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013719974	0	57	0.0	-76.30	420.69	8.57	-67.73
CC[NH+](CC)CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013719975	0	47	0.0	-76.08	366.35	6.71	-69.37
CC[NH+](CC)CCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013719976	0	53	0.0	-79.56	380.89	8.77	-70.79
CC[NH+](CC)CCCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013719977	0	55	0.0	-76.35	414.58	7.75	-68.60
CC[NH+](CC)CCCNC(=O)NCCCCCCC(=O)[O-]	REAL300013719978	0	52	0.0	-76.68	397.55	7.24	-69.44
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CC[NH+](CC)CCCNC(=O)N(CCOC)CCC(=O)[O-]	REAL300013719980	0	50	0.0	-58.48	382.38	6.65	-51.83
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CC[NH+](CC)CCCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013719988	0	51	0.0	-72.32	391.20	8.14	-64.18
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CC[NH+](CC)CCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013719998	0	47	0.0	-67.68	367.55	7.23	-60.45
CC[NH+](CC)CCCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013719999	0	48	0.0	-78.80	355.52	6.64	-72.16
CC[NH+](CC)CCCNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013720000	0	51	0.0	-61.52	377.98	6.47	-55.05
CC[NH+](CC)CCCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013720001	0	56	0.0	-84.67	421.69	5.66	-79.01
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CCCCOCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013720197	1	51	0.0	-36.06	392.86	5.61	-30.45
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CCOC1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1OCC	REAL300013720354	1	59	0.0	-46.03	457.10	8.09	-37.94
CC(C)OCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013720397	1	48	0.0	-36.18	370.14	4.77	-31.41
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300013720420	0	48	0.0	-70.56	360.74	8.86	-61.70
C[NH+](C)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300013720421	0	48	0.0	-77.88	385.39	8.45	-69.43
C[NH+](C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720422	0	46	0.0	-76.29	354.07	7.31	-68.98
C[NH+](C)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300013720423	0	51	0.0	-77.90	387.87	8.16	-69.74
C[NH+](C)C(CNC(=O)NCCCCC(=O)[O-])C1=CC=CC=C1	REAL300013720424	0	47	0.0	-74.88	368.50	7.13	-67.75
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300013720425	0	48	0.0	-75.71	385.39	8.44	-67.27
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300013720426	0	50	0.0	-74.33	389.99	7.91	-66.42
C[NH+](C)C(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C1=CC=CC=C1	REAL300013720427	0	58	0.0	-78.66	436.90	12.31	-66.35
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013720428	0	47	0.0	-74.03	360.35	7.02	-67.01
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720429	0	48	0.0	-73.00	368.01	8.39	-64.61
CC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C1	REAL300013720430	0	51	0.0	-63.01	377.65	9.69	-53.32
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300013720431	0	51	0.0	-74.36	375.10	9.15	-65.21
CC1CCN(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)CC1C(=O)[O-]	REAL300013720432	0	51	0.0	-77.29	380.70	9.39	-67.90
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300013720433	0	52	0.0	-57.06	384.53	7.50	-49.56
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013720434	0	50	0.0	-71.21	380.28	7.24	-63.97
CCC(CC)(CNC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013720435	0	53	0.0	-66.13	392.59	8.04	-58.09
CC(C)C(CNC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013720436	0	50	0.0	-61.91	375.13	7.61	-54.30
CC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013720437	0	57	0.0	-77.70	419.88	8.92	-68.78
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300013720438	0	54	0.0	-62.46	411.94	9.88	-52.58
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720439	0	48	0.0	-65.29	365.22	8.50	-56.79
C[NH+](C)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013720440	0	54	0.0	-73.01	401.55	10.29	-62.72
C[NH+](C)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720441	0	50	0.0	-74.70	379.78	7.01	-67.69
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013720442	0	51	0.0	-66.00	385.93	8.41	-57.59
CC1CN(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)CCC1C(=O)[O-]	REAL300013720443	0	51	0.0	-73.34	374.35	9.58	-63.76
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCC1)C1=CC=CC=C1	REAL300013720444	0	48	0.0	-59.15	364.26	8.60	-50.55
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300013720445	0	51	0.0	-73.42	392.92	8.42	-65.00
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300013720446	0	51	0.0	-74.36	375.10	9.15	-65.21
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)CC(=O)[O-]	REAL300013720447	0	56	0.0	-72.08	414.16	8.80	-63.28
C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300013720448	0	48	0.0	-66.07	378.53	8.55	-57.52
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C1	REAL300013720449	0	52	0.0	-76.53	398.87	7.52	-69.01
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720450	0	45	0.0	-70.80	352.55	6.93	-63.87
C[NH+](C)C(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013720451	0	53	0.0	-73.06	400.65	6.01	-67.05
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC(C3=CC=CC=C3)[NH+](C)C)C2)C=N1	REAL300013720452	0	58	0.0	-74.91	439.02	10.33	-64.58
C[NH+](C)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720453	0	48	0.0	-61.07	361.00	8.84	-52.23
C[NH+](C)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720454	0	48	0.0	-76.03	361.50	8.86	-67.17
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720455	0	45	0.0	-73.73	352.42	6.97	-66.76
C[NH+](C)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720456	0	45	0.0	-72.80	349.78	7.96	-64.84
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300013720457	0	48	0.0	-75.71	385.39	8.44	-67.27
CCC(CNC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013720458	0	47	0.0	-64.24	366.62	7.03	-57.21
C[NH+](C)C(CNC(=O)N1CCCCC1CCC(=O)[O-])C1=CC=CC=C1	REAL300013720459	0	54	0.0	-75.96	395.73	10.24	-65.72
C[NH+](C)C(CNC(=O)NCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300013720460	0	56	0.0	-76.27	432.99	9.47	-66.80
C[NH+](C)C(CNC(=O)NCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300013720461	0	53	0.0	-76.81	411.49	8.70	-68.11
CN(CCCC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300013720462	0	47	0.0	-75.39	365.24	8.74	-66.65
C[NH+](C)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720463	0	51	0.0	-63.70	376.37	9.64	-54.06
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C1	REAL300013720464	0	55	0.0	-80.62	407.88	9.39	-71.23
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300013720465	0	51	0.0	-63.15	396.31	8.10	-55.05
C[NH+](C)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C1=CC=CC=C1	REAL300013720466	0	54	0.0	-76.12	402.11	10.31	-65.81
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720467	0	52	0.0	-78.55	394.18	11.62	-66.93
C[NH+](C)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300013720468	0	49	0.0	-72.10	374.37	7.60	-64.50
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CC=CC=C1)[NH+](C)C	REAL300013720469	0	51	0.0	-61.96	377.23	9.47	-52.49
C[NH+](C)C(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720470	0	55	0.0	-67.06	424.17	11.43	-55.63
C[NH+](C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720471	0	49	0.0	-63.70	371.11	6.43	-57.27
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1=CC=CC=C1	REAL300013720472	0	52	0.0	-73.53	404.85	10.67	-62.86
C[NH+](C)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1=CC=CC=C1	REAL300013720473	0	55	0.0	-83.71	413.20	8.68	-75.03
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC=C2)[NH+](C)C)CC1	REAL300013720474	0	55	0.0	-75.34	407.05	8.32	-67.02
C[NH+](C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C1=CC=CC=C1	REAL300013720475	0	46	0.0	-77.08	362.68	7.16	-69.92
C[NH+](C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1=CC=CC=C1	REAL300013720476	0	57	0.0	-70.18	405.68	10.09	-60.09
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1=CC=CC=C1	REAL300013720477	0	51	0.0	-70.21	383.12	8.58	-61.63
C[NH+](C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=CC=C1	REAL300013720478	0	54	0.0	-77.33	407.62	8.87	-68.46
C[NH+](C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013720479	0	51	0.0	-67.81	379.23	9.51	-58.30
C[NH+](C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013720480	0	52	0.0	-74.99	395.80	8.94	-66.05
C[NH+](C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720481	0	51	0.0	-71.00	387.01	8.13	-62.87
C[NH+](C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720482	0	51	0.0	-70.34	383.11	8.57	-61.77
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C1=CC=CC=C1	REAL300013720483	0	52	0.0	-65.98	392.32	6.97	-59.01
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)C1=CC=CC=C1	REAL300013720484	0	49	0.0	-62.90	374.62	5.70	-57.20
C[NH+](C)C(CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300013720485	0	60	0.0	-77.24	460.02	10.83	-66.41
C[NH+](C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CC=C1	REAL300013720486	0	46	0.0	-67.74	360.54	8.54	-59.20
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300013720487	0	45	0.0	-62.91	353.10	7.30	-55.61
C[NH+](C)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1=CC=CC=C1	REAL300013720488	0	52	0.0	-66.68	389.75	9.63	-57.05
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1=CC=CC=C1	REAL300013720489	0	48	0.0	-65.23	381.65	8.68	-56.55
C[NH+](C)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720490	0	49	0.0	-78.40	369.44	8.11	-70.29
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C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013720492	0	45	0.0	-73.39	348.63	7.95	-65.44
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CC=C1	REAL300013720493	0	46	0.0	-76.90	363.04	7.65	-69.25
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CC(C)[NH+](CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C(C)C	REAL300013720495	0	50	0.0	-72.51	374.95	6.84	-65.67
CC(C)[NH+](CCNC(=O)N1CCOC(C(=O)[O-])C1)C(C)C	REAL300013720496	0	48	0.0	-58.21	344.58	5.62	-52.59
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CC(C)[NH+](CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(C)C	REAL300013720498	0	50	0.0	-71.80	374.20	6.82	-64.98
CC(C)[NH+](CCNC(=O)NCCCCCC(=O)[O-])C(C)C	REAL300013720499	0	52	0.0	-69.89	380.19	6.30	-63.59
CC(C)[NH+](CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C(C)C	REAL300013720500	0	60	0.0	-69.56	423.00	10.27	-59.29
CC(C)[NH+](CCNC(=O)N1CC(C)CC(C(=O)[O-])C1)C(C)C	REAL300013720501	0	53	0.0	-55.54	368.43	7.97	-47.57
CC(C)[NH+](CCNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(C)C	REAL300013720502	0	53	0.0	-70.33	365.71	7.46	-62.87
CC(C)[NH+](CCNC(=O)N1CCC(C)C(C(=O)[O-])C1)C(C)C	REAL300013720503	0	53	0.0	-56.97	371.31	7.69	-49.28
CC(C)[NH+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)C	REAL300013720504	0	54	0.0	-59.17	376.52	4.89	-54.28
CC(C)[NH+](CCNC(=O)NCCC(C)(C)C(=O)[O-])C(C)C	REAL300013720505	0	52	0.0	-66.86	369.72	5.62	-61.24
CCC(CC)(CNC(=O)NCC[NH+](C(C)C)C(C)C)C(=O)[O-]	REAL300013720506	0	55	0.0	-56.72	375.57	6.52	-50.20
CC(C)C(CNC(=O)NCC[NH+](C(C)C)C(C)C)C(=O)[O-]	REAL300013720507	0	52	0.0	-60.40	372.98	5.89	-54.51
CC(C)[NH+](CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C	REAL300013720508	0	59	0.0	-73.04	410.76	7.26	-65.78
CC(C)[NH+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013720509	0	56	0.0	-57.74	401.92	8.17	-49.57
CC(C)[NH+](CCNC(=O)N1CCC(CCC(=O)[O-])CC1)C(C)C	REAL300013720510	0	56	0.0	-69.12	391.17	8.68	-60.44
CC(C)[NH+](CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300013720511	0	52	0.0	-68.44	368.26	5.39	-63.05
CC(C)[NH+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)C(C)C	REAL300013720512	0	53	0.0	-58.75	374.89	6.78	-51.97
CC(C)[NH+](CCNC(=O)N1CCC(C(=O)[O-])C(C)C1)C(C)C	REAL300013720513	0	53	0.0	-68.22	364.96	7.88	-60.34
CC(C)[NH+](CCNC(=O)NCC(CC(=O)[O-])C1CC1)C(C)C	REAL300013720514	0	53	0.0	-68.52	382.47	6.79	-61.73
CC(C)[NH+](CCNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(C)C	REAL300013720515	0	53	0.0	-70.33	365.71	7.46	-62.87
CC(C)C[C@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)CC(=O)[O-]	REAL300013720516	0	58	0.0	-63.38	408.31	7.34	-56.04
CC(C)[NH+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C(C)C	REAL300013720517	0	50	0.0	-63.65	368.57	6.94	-56.71
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CC(C)[NH+](CCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)C(C)C	REAL300013720520	0	60	0.0	-69.00	428.61	8.71	-60.29
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CC(C)[NH+](CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(C)C	REAL300013720532	0	51	0.0	-64.11	364.08	5.92	-58.19
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CC(C)[NH+](CCNC(=O)N1CCCC(O)(C(=O)[O-])C1)C(C)C	REAL300013720535	0	51	0.0	-70.50	360.60	4.80	-65.70
CC(C)[NH+](CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C(C)C	REAL300013720536	0	54	0.0	-68.29	395.34	7.98	-60.31
CC(C)[NH+](CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C(C)C	REAL300013720537	0	57	0.0	-77.68	402.70	6.94	-70.74
COCC1(C(=O)[O-])CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1	REAL300013720538	0	57	0.0	-70.73	397.06	6.58	-64.15
CC(C)[NH+](CCNC(=O)NCC1(CC(=O)[O-])CCCCC1)C(C)C	REAL300013720539	0	59	0.0	-62.85	397.99	7.44	-55.41
CC(C)[NH+](CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C(C)C	REAL300013720540	0	53	0.0	-63.22	372.40	6.96	-56.26
CC(C)[NH+](CCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C(C)C	REAL300013720541	0	56	0.0	-72.12	396.57	7.24	-64.88
CC(C)[NH+](CCNC(=O)N1CCC(CC(=O)[O-])CC1)C(C)C	REAL300013720542	0	53	0.0	-62.95	368.85	7.80	-55.15
CC(C)[NH+](CCNC(=O)N1CCC(OCC(=O)[O-])CC1)C(C)C	REAL300013720543	0	54	0.0	-71.26	385.39	7.30	-63.96
CC(C)[NH+](CCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C(C)C	REAL300013720544	0	53	0.0	-67.52	376.82	6.52	-61.00
CC(C)[NH+](CCNC(=O)NC1CCCC(C(=O)[O-])C1)C(C)C	REAL300013720545	0	53	0.0	-67.21	377.06	6.52	-60.69
CC(C)[NH+](CCNC(=O)NCC1(C(=O)[O-])CCCOC1)C(C)C	REAL300013720546	0	54	0.0	-61.99	381.79	5.38	-56.61
CC(C)[NH+](CCNC(=O)NCC1(C(=O)[O-])CCOC1)C(C)C	REAL300013720547	0	51	0.0	-58.17	363.57	4.06	-54.11
CC(C)[NH+](CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C(C)C	REAL300013720548	0	62	0.0	-72.05	449.46	9.22	-62.83
CC(C)[NH+](CCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C(C)C	REAL300013720549	0	54	0.0	-61.37	380.68	8.06	-53.31
CC(C)[NH+](CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C(C)C	REAL300013720550	0	50	0.0	-62.83	370.92	7.06	-55.77
CC(C)[NH+](CCNC(=O)N1CCOC(C)(C(=O)[O-])C1)C(C)C	REAL300013720551	0	51	0.0	-74.33	359.02	6.48	-67.85
COC1CC(C(=O)[O-])CN(C(=O)NCC[NH+](C(C)C)C(C)C)C1	REAL300013720552	0	54	0.0	-56.73	382.20	6.31	-50.42
CC(C)[NH+](CCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C(C)C	REAL300013720553	0	59	0.0	-81.18	429.67	5.80	-75.38
COC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013720574	1	46	0.0	-37.25	362.65	5.57	-31.68
O=C([O-])C[NH+]1CCC(NC(=O)NCCC23CC4CC(CC(C4)C2)C3)CC1	REAL300013720650	1	59	0.0	-35.52	411.72	8.71	-26.81
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2F)CC1	REAL300013720704	1	42	0.0	-36.47	338.82	6.29	-30.18
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300013720761	1	45	0.0	-37.35	371.87	7.26	-30.09
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=NC=CS2)CC1	REAL300013720815	1	41	0.0	-43.03	339.04	4.14	-38.89
CN1CCC([NH+]2CCC(NC(=O)N3CCC(C(=O)[O-])CC3)CC2)CC1	REAL300013720841	0	57	0.0	-72.37	405.03	6.93	-65.44
CN1CCC([NH+]2CCC(NC(=O)NCC3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300013720842	0	57	0.0	-77.66	425.08	6.37	-71.29
CN1CCC([NH+]2CCC(NC(=O)N3CCOC(C(=O)[O-])C3)CC2)CC1	REAL300013720843	0	55	0.0	-77.57	398.21	5.39	-72.18
CN1CCC([NH+]2CCC(NC(=O)NC3CCC(C(=O)[O-])CC3)CC2)CC1	REAL300013720844	0	60	0.0	-67.85	425.93	6.64	-61.21
CN1CCC([NH+]2CCC(NC(=O)NCCCCC(=O)[O-])CC2)CC1	REAL300013720845	0	56	0.0	-76.31	408.83	5.04	-71.27
CN1CCC([NH+]2CCC(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)CC2)CC1	REAL300013720846	0	57	0.0	-77.61	425.09	6.36	-71.25
CN1CCC([NH+]2CCC(NC(=O)NCCC(=O)[O-])CC2)CC1	REAL300013720847	0	50	0.0	-73.47	365.84	3.47	-70.00
CN1CCC([NH+]2CCC(NC(=O)NCCCCCC(=O)[O-])CC2)CC1	REAL300013720848	0	59	0.0	-75.28	430.33	5.82	-69.46
CN1CCC([NH+]2CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013720849	0	56	0.0	-76.54	401.28	4.92	-71.62
CN1CCC([NH+]2CCC(NC(=O)N3CCC(C)(C(=O)[O-])C3)CC2)CC1	REAL300013720850	0	57	0.0	-74.72	412.14	6.53	-68.19
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1	REAL300013720851	0	60	0.0	-61.22	422.18	7.79	-53.43
CN1CCC([NH+]2CCC(NC(=O)N3CCC(C)(C(=O)[O-])CC3)CC2)CC1	REAL300013720852	0	60	0.0	-75.30	418.53	7.27	-68.03
CN1CCC([NH+]2CCC(NC(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013720853	0	53	0.0	-71.30	387.34	4.26	-67.04
CC1CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1C(=O)[O-]	REAL300013720854	0	60	0.0	-61.59	411.52	6.97	-54.62
CN1CCC([NH+]2CCC(NC(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013720855	0	61	0.0	-64.61	428.40	4.24	-60.37
CN1CCC([NH+]2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013720856	0	59	0.0	-72.30	420.62	5.15	-67.15
CCC(CC)(CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013720857	0	62	0.0	-65.12	430.28	6.28	-58.84
CC(CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013720858	0	53	0.0	-74.93	384.39	4.22	-70.71
CC(C)C(CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013720859	0	59	0.0	-67.78	423.13	5.42	-62.36
CC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013720860	0	66	0.0	-76.82	468.13	7.57	-69.25
CN1CCC([NH+]2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013720861	0	57	0.0	-70.59	412.98	5.76	-64.83
CN1CCC([NH+]2CCC(NC(=O)N3CCC(CCC(=O)[O-])CC3)CC2)CC1	REAL300013720862	0	63	0.0	-73.77	445.88	8.42	-65.35
CN1CCC([NH+]2CCC(NC(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)CC2)CC1	REAL300013720863	0	59	0.0	-75.88	419.32	4.91	-70.97
CN1CCC([NH+]2CCC(NC(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013720864	0	60	0.0	-65.54	425.79	6.31	-59.23
CC1CN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CCC1C(=O)[O-]	REAL300013720865	0	60	0.0	-71.12	418.29	7.69	-63.43
CN1CCC([NH+]2CCC(NC(=O)NCC3(C(=O)[O-])CCC3)CC2)CC1	REAL300013720866	0	57	0.0	-64.81	408.71	5.47	-59.34
CN1CCC([NH+]2CCC(NC(=O)NCC(CC(=O)[O-])C3CC3)CC2)CC1	REAL300013720867	0	60	0.0	-72.88	436.79	6.47	-66.41
CN1CCC([NH+]2CCC(NC(=O)N3CCC(C)(C(=O)[O-])CC3)CC2)CC1	REAL300013720868	0	60	0.0	-75.30	418.53	7.27	-68.03
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)CC(=O)[O-]	REAL300013720869	0	65	0.0	-69.16	459.14	6.81	-62.35
CN1CCC([NH+]2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013720870	0	57	0.0	-71.56	418.69	6.48	-65.08
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1	REAL300013720871	0	61	0.0	-75.65	443.00	5.64	-70.01
CN1CCC([NH+]2CCC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013720872	0	54	0.0	-71.05	396.36	5.04	-66.01
CN1CCC([NH+]2CCC(NC(=O)NC3CCN(CC(=O)[O-])CC3)CC2)CC1	REAL300013720873	0	62	0.0	-74.09	440.82	3.89	-70.20
CN1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013720874	0	57	0.0	-61.50	401.32	6.72	-54.78
CN1CCC([NH+]2CCC(NC(=O)N3CCC[C@H](C(=O)[O-])C3)CC2)CC1	REAL300013720875	0	57	0.0	-62.22	406.54	6.99	-55.23
CN1CCC([NH+]2CCC(NC(=O)NC3CC(C(=O)[O-])C3)CC2)CC1	REAL300013720876	0	54	0.0	-72.14	392.79	4.82	-67.32
CN1CCC([NH+]2CCC(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)CC1	REAL300013720877	0	54	0.0	-72.79	396.22	5.10	-67.69
CN1CCC([NH+]2CCC(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)CC2)CC1	REAL300013720878	0	57	0.0	-77.61	425.09	6.36	-71.25
CCC(CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013720879	0	56	0.0	-63.98	401.32	5.03	-58.95
CN1CCC([NH+]2CCC(NC(=O)N3CCCCC3CCC(=O)[O-])CC2)CC1	REAL300013720880	0	63	0.0	-77.16	439.40	8.34	-68.82
CN1CCC([NH+]2CCC(NC(=O)NCCCCCCCC(=O)[O-])CC2)CC1	REAL300013720881	0	65	0.0	-77.22	473.33	7.39	-69.83
CN1CCC([NH+]2CCC(NC(=O)NCCCCCCC(=O)[O-])CC2)CC1	REAL300013720882	0	62	0.0	-77.95	451.83	6.60	-71.35
CN(CCCC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300013720883	0	56	0.0	-74.67	408.91	6.87	-67.80
CN1CCC([NH+]2CCC(NC(=O)N3CCCC(C)(C(=O)[O-])C3)CC2)CC1	REAL300013720884	0	60	0.0	-79.91	416.73	7.48	-72.43
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1	REAL300013720885	0	64	0.0	-84.02	448.92	6.63	-77.39
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300013720886	0	60	0.0	-60.76	436.65	6.00	-54.76
CN1CCC([NH+]2CCC(NC(=O)N3CCCC(CCC(=O)[O-])C3)CC2)CC1	REAL300013720887	0	63	0.0	-78.72	442.23	8.16	-70.56
CN1CCC([NH+]2CCC(NC(=O)N3CCN(C(=O)C(=O)[O-])CC3)CC2)CC1	REAL300013720888	0	58	0.0	-69.82	414.25	5.52	-64.30
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300013720889	0	60	0.0	-62.55	418.52	7.35	-55.20
CN1CCC([NH+]2CCC(NC(=O)N3CCCC(O)(C(=O)[O-])C3)CC2)CC1	REAL300013720890	0	58	0.0	-76.49	411.45	4.28	-72.21
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1	REAL300013720891	0	64	0.0	-79.60	446.57	6.16	-73.44
CN1CCC([NH+]2CCC(NC(=O)NC34CC(C(=O)[O-])(C3)C4)CC2)CC1	REAL300013720892	0	55	0.0	-76.80	406.50	5.27	-71.53
CN1CCC([NH+]2CCC(NC(=O)NCC3(CC(=O)[O-])CCCCC3)CC2)CC1	REAL300013720893	0	66	0.0	-70.99	448.72	7.04	-63.95
CN1CCC([NH+]2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)CC2)CC1	REAL300013720894	0	60	0.0	-69.44	421.96	6.43	-63.01
CN1CCC([NH+]2CCC(NC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)CC2)CC1	REAL300013720895	0	63	0.0	-77.36	447.48	6.77	-70.59
CN1CCC([NH+]2CCC(NC(=O)N3CCC(CC(=O)[O-])CC3)CC2)CC1	REAL300013720896	0	60	0.0	-68.07	423.57	7.64	-60.43
CN1CCC([NH+]2CCC(NC(=O)N3CCC(OCC(=O)[O-])CC3)CC2)CC1	REAL300013720897	0	61	0.0	-76.03	440.10	7.02	-69.01
CN1CCC([NH+]2CCC(NC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013720898	0	60	0.0	-71.96	431.16	6.25	-65.71
CN1CCC([NH+]2CCC(NC(=O)NC3CCCC(C(=O)[O-])C3)CC2)CC1	REAL300013720899	0	60	0.0	-70.34	423.30	6.46	-63.88
CN1CCC([NH+]2CCC(NC(=O)NCC3(C(=O)[O-])CCCOC3)CC2)CC1	REAL300013720900	0	61	0.0	-62.68	429.67	4.63	-58.05
CN1CCC([NH+]2CCC(NC(=O)NCC3(C(=O)[O-])CCOC3)CC2)CC1	REAL300013720901	0	58	0.0	-64.93	414.46	3.59	-61.34
CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)CC2)CC1	REAL300013720902	0	55	0.0	-71.43	408.21	5.76	-65.67
CN1CCC([NH+]2CCC(NC(=O)NCC3(C(=O)[O-])CC3)CC2)CC1	REAL300013720903	0	54	0.0	-63.45	392.97	5.20	-58.25
CN1CCC([NH+]2CCC(NC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)CC2)CC1	REAL300013720904	0	61	0.0	-67.60	430.79	7.58	-60.02
CN1CCC([NH+]2CCC(NC(=O)N3CCOC(C)(C(=O)[O-])C3)CC2)CC1	REAL300013720905	0	58	0.0	-80.16	409.78	5.97	-74.19
CN1CCC([NH+]2CCC(NC(=O)N3CC(C(=O)[O-])C3)CC2)CC1	REAL300013720906	0	51	0.0	-67.66	373.57	5.03	-62.63
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1	REAL300013720907	0	61	0.0	-62.94	436.89	6.03	-56.91
CN1CCC([NH+]2CCC(NC(=O)N3CCC(C(=O)[O-])C3)CC2)CC1	REAL300013720908	0	54	0.0	-75.20	388.46	5.81	-69.39
CN1CCC([NH+]2CCC(NC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)CC2)CC1	REAL300013720909	0	55	0.0	-76.67	407.17	5.78	-70.89
CC(CCC(=O)[O-])NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	REAL300013720910	0	56	0.0	-69.05	407.09	5.26	-63.79
C=CCC1=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(OC)=C1OC	REAL300013720994	1	57	0.0	-39.03	447.90	7.51	-31.52
O=C([O-])C[NH+]1CCC(NC(=O)NCCS(=O)(=O)N2CCOCC2)CC1	REAL300013721062	1	51	0.0	-51.53	403.61	0.83	-50.70
COC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013721122	1	45	0.0	-37.90	360.31	2.91	-34.99
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=CS3)CCCC2)CC1	REAL300013721190	1	52	0.0	-34.74	401.70	8.64	-26.10
CCC1=CC=CC(NC(=O)CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013721265	1	52	0.0	-38.60	408.74	6.07	-32.53
O=C([O-])C[NH+]1CCC(NC(=O)NCCC(=O)N2CCCCCC2)CC1	REAL300013721338	1	55	0.0	-49.17	405.71	6.51	-42.66
O=C([O-])C1CCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013721380	1	56	0.0	-73.49	417.37	5.19	-68.30
O=C([O-])C1=CC=C(CNC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C=C1	REAL300013721381	1	56	0.0	-76.24	441.47	4.84	-71.40
O=C([O-])C1CN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCO1	REAL300013721382	1	54	0.0	-65.82	410.51	3.67	-62.15
O=C([O-])C1CCC(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013721383	1	59	0.0	-78.74	444.10	4.53	-74.21
O=C([O-])CCCCNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013721384	1	55	0.0	-76.67	425.20	3.51	-73.16
O=C([O-])C1=CC(CNC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)=CC=C1	REAL300013721385	1	56	0.0	-77.11	441.47	4.82	-72.29
O=C([O-])CCNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013721386	1	49	0.0	-74.44	382.21	1.93	-72.51
O=C([O-])CCCCCNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013721387	1	58	0.0	-75.06	446.70	4.29	-70.77
CC(C)(CNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013721388	1	55	0.0	-77.11	417.64	3.39	-73.72
CC1(C(=O)[O-])CCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013721389	1	56	0.0	-75.68	424.56	4.79	-70.89
CC1CC(C(=O)[O-])CN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013721390	1	59	0.0	-63.64	439.21	5.79	-57.85
CC1(C(=O)[O-])CCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013721391	1	59	0.0	-75.61	431.63	5.52	-70.09
O=C([O-])CCCNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013721392	1	52	0.0	-71.58	403.71	2.73	-68.85
CC1CCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CC1C(=O)[O-]	REAL300013721393	1	59	0.0	-63.37	433.62	5.64	-57.73
CC(C)(CCNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013721394	1	58	0.0	-72.10	436.99	3.61	-68.49
CCC(CC)(CNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013721395	1	61	0.0	-67.62	444.59	4.58	-63.04
CC(CNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013721396	1	52	0.0	-75.59	400.75	2.69	-72.90
CC(C)C(CNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013721397	1	58	0.0	-68.08	434.24	3.99	-64.09
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013721398	1	56	0.0	-71.42	425.51	4.01	-67.41
O=C([O-])C1(CNC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCCC1	REAL300013721399	1	59	0.0	-69.11	442.17	4.78	-64.33
CC1CN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCC1C(=O)[O-]	REAL300013721400	1	59	0.0	-73.27	430.88	5.93	-67.34
O=C([O-])C1(CNC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCC1	REAL300013721401	1	56	0.0	-67.10	425.09	3.94	-63.16
O=C([O-])CC(CNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300013721402	1	59	0.0	-77.24	449.22	4.71	-72.53
CC1(C(=O)[O-])CCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013721403	1	59	0.0	-75.61	431.63	5.52	-70.09
O=C([O-])C1=CC=CC=C1CNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013721404	1	56	0.0	-75.68	435.08	4.95	-70.73
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013721405	1	53	0.0	-72.16	408.85	3.30	-68.86
O=C([O-])[C@@H]1CCCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013721406	1	56	0.0	-63.59	417.65	5.19	-58.40
O=C([O-])[C@H]1CCCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013721407	1	56	0.0	-64.43	418.21	5.21	-59.22
O=C([O-])C1CC(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013721408	1	53	0.0	-72.07	409.17	3.30	-68.77
O=C([O-])[C@H]1C[C@H](NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013721409	1	53	0.0	-73.59	408.73	3.35	-70.24
O=C([O-])C1=CC(CNC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)=CC=C1	REAL300013721410	1	56	0.0	-77.11	441.47	4.82	-72.29
CCC(CNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013721411	1	55	0.0	-69.35	422.71	3.40	-65.95
O=C([O-])CCCCCCNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013721412	1	61	0.0	-77.91	468.20	5.07	-72.84
CN(CCCC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013721413	1	55	0.0	-78.30	421.33	5.12	-73.18
CC1(C(=O)[O-])CCCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013721414	1	59	0.0	-79.59	433.04	5.98	-73.61
COCCN(CCC(=O)[O-])C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013721415	1	59	0.0	-63.79	453.02	4.48	-59.31
CC1CCC(C(=O)[O-])CN1C(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013721416	1	59	0.0	-63.05	432.25	5.80	-57.25
O=C([O-])C1(O)CCCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013721417	1	57	0.0	-77.13	427.86	2.76	-74.37
O=C([O-])C12CC(NC(=O)NCCCN3CCN(C4=CC=[NH+]C=C4)CC3)(C1)C2	REAL300013721418	1	54	0.0	-78.38	418.92	3.52	-74.86
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013721419	1	59	0.0	-70.64	437.21	4.78	-65.86
O=C([O-])CC1CCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013721420	1	59	0.0	-68.90	435.91	5.89	-63.01
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013721421	1	59	0.0	-72.80	443.57	4.51	-68.29
O=C([O-])C1CCCC(NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013721422	1	59	0.0	-72.77	443.57	4.51	-68.26
O=C([O-])C1(CNC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCOC1	REAL300013721423	1	57	0.0	-68.09	430.85	2.06	-66.03
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCCCN1CCN(C3=CC=[NH+]C=C3)CC1)C2	REAL300013721424	1	54	0.0	-72.93	420.33	4.02	-68.91
O=C([O-])C1(CNC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013721425	1	53	0.0	-65.36	408.99	3.56	-61.80
CC1(C(=O)[O-])CN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCO1	REAL300013721426	1	57	0.0	-79.47	426.07	4.45	-75.02
O=C([O-])C1CN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013721427	1	50	0.0	-68.13	389.95	3.51	-64.62
O=C([O-])C1CCN(C(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013721428	1	53	0.0	-74.96	404.84	4.31	-70.65
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCCCN1CCN(C3=CC=[NH+]C=C3)CC1)C2	REAL300013721429	1	54	0.0	-77.79	419.60	4.03	-73.76
CC(CCC(=O)[O-])NC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013721430	1	55	0.0	-70.66	423.46	3.75	-66.91
CN(C)C1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013721513	1	50	0.0	-36.25	383.93	6.64	-29.61
CC1=C(C)C2=CC(C)=CC(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2N1	REAL300013721586	1	55	0.0	-37.22	427.23	8.11	-29.11
O=C([O-])C[NH+]1CCC(NC(=O)NCCNC(=O)CC2=CC=CC(F)=C2)CC1	REAL300013721705	1	52	0.0	-43.79	420.36	5.44	-38.35
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC(F)=CC(F)=C2)CC1	REAL300013721850	1	45	0.0	-43.26	367.47	7.18	-36.08
CC1=CC=CC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013722010	1	48	0.0	-41.80	376.05	7.71	-34.09
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(OCC3CC3)N=C2)CC1	REAL300013722119	1	52	0.0	-41.17	413.33	5.44	-35.73
CC1=CN(CCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=C1	REAL300013722199	1	48	0.0	-42.80	378.63	5.66	-37.14
CS(=O)(=O)CC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013722267	1	51	0.0	-46.91	417.78	4.42	-42.49
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=C(F)C=CC=C3F)CCCC2)CC1	REAL300013722336	1	55	0.0	-40.23	410.75	9.54	-30.69
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2=NC3=CC=CC=C3N2)CC1	REAL300013722403	1	51	0.0	-45.09	402.00	6.49	-38.60
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C(O)C=C2)CC1	REAL300013722466	1	46	0.0	-43.96	365.28	4.16	-39.80
CC(O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013722530	1	49	0.0	-41.32	383.86	4.54	-36.78
CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013722601	1	55	0.0	-45.35	425.50	0.66	-44.69
CC(C)CC(=O)N1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013722668	1	58	0.0	-39.95	429.39	6.95	-33.00
CC(CN1C=NC=N1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013722721	1	44	0.0	-41.62	349.04	6.99	-34.63
CCCC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013722746	0	51	0.0	-73.26	372.97	8.62	-64.64
CCCC[NH+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013722747	0	51	0.0	-77.46	396.94	8.27	-69.19
CCCC[NH+]1CCC(NC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013722748	0	49	0.0	-78.76	365.95	7.08	-71.68
CCCC[NH+]1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013722749	0	54	0.0	-77.91	400.03	7.97	-69.94
CCCC[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013722750	0	51	0.0	-77.19	397.40	8.28	-68.91
CCCC[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013722751	0	53	0.0	-74.84	402.19	7.73	-67.11
CCCC[NH+]1CCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013722752	0	61	0.0	-74.64	445.86	11.96	-62.68
CCCC[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013722753	0	51	0.0	-75.74	380.00	8.19	-67.55
CCCC[NH+]1CCC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013722754	0	54	0.0	-61.93	394.56	9.22	-52.71
CCCC[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013722755	0	54	0.0	-75.12	387.02	8.96	-66.16
CCCC[NH+]1CCC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013722756	0	54	0.0	-78.38	383.53	8.86	-69.52
CCCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013722757	0	55	0.0	-64.62	400.26	6.15	-58.47
CCCC[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013722758	0	53	0.0	-72.07	392.48	7.05	-65.02
CCCC[NH+]1CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013722759	0	56	0.0	-65.26	402.13	8.18	-57.08
CCCC[NH+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013722760	0	53	0.0	-67.83	394.98	7.32	-60.51
CCCC[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013722761	0	60	0.0	-77.53	436.48	9.27	-68.26
CCCC[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013722762	0	57	0.0	-66.21	424.60	9.70	-56.51
CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013722763	0	51	0.0	-71.23	381.02	7.46	-63.77
CCCC[NH+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013722764	0	57	0.0	-75.85	413.79	10.07	-65.78
CCCC[NH+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013722765	0	53	0.0	-75.12	391.17	6.80	-68.32
CCCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013722766	0	54	0.0	-66.66	397.65	8.22	-58.44
CCCC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013722767	0	54	0.0	-72.00	386.18	9.37	-62.63
CCCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013722768	0	51	0.0	-64.94	380.56	7.37	-57.57
CCCC[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013722769	0	54	0.0	-73.20	405.13	8.17	-65.03
CCCC[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013722770	0	54	0.0	-75.12	387.02	8.96	-66.16
CCCC[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013722771	0	59	0.0	-69.16	431.00	8.72	-60.44
CCCC[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013722772	0	51	0.0	-71.61	390.55	8.38	-63.23
CCCC[NH+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])C2)CC1	REAL300013722773	0	55	0.0	-79.26	411.05	7.49	-71.77
CCCC[NH+]1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013722774	0	56	0.0	-73.70	412.68	5.79	-67.91
CCCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)CC1	REAL300013722775	0	61	0.0	-81.22	456.40	9.92	-71.30
CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013722776	0	51	0.0	-61.90	373.18	8.62	-53.28
CCCC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013722777	0	51	0.0	-78.58	373.61	8.66	-69.92
CCCC[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013722778	0	51	0.0	-77.19	397.40	8.28	-68.91
CCCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)CC1	REAL300013722779	0	61	0.0	-71.32	457.48	10.13	-61.19
CCCC[NH+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013722780	0	57	0.0	-79.41	406.95	10.03	-69.38
CCCC[NH+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013722781	0	59	0.0	-76.67	445.19	9.29	-67.38
CCCC[NH+]1CCC(NC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013722782	0	56	0.0	-77.35	423.69	8.51	-68.84
CCCC[NH+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013722783	0	54	0.0	-79.35	388.58	9.40	-69.95
CCCC[NH+]1CCC(NC(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300013722784	0	58	0.0	-83.18	420.72	8.53	-74.65
CCCC[NH+]1CCC(NC(=O)N(CCOC)CCC(=O)[O-])CC1	REAL300013722785	0	54	0.0	-61.34	408.51	7.91	-53.43
CCCC[NH+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013722786	0	57	0.0	-78.01	414.08	10.07	-67.94
CCCC[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013722787	0	55	0.0	-77.61	407.56	11.17	-66.44
CCCC[NH+]1CCC(NC(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)CC1	REAL300013722788	0	62	0.0	-76.42	461.86	9.26	-67.16
CCCC[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013722789	0	52	0.0	-69.60	386.11	7.42	-62.18
CCCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013722790	0	54	0.0	-62.98	390.37	9.25	-53.73
CCCC[NH+]1CCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013722791	0	58	0.0	-68.15	436.42	11.23	-56.92
CCCC[NH+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013722792	0	52	0.0	-75.91	383.75	6.21	-69.70
CCCC[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013722793	0	55	0.0	-73.57	415.14	9.26	-64.31
CCCC[NH+]1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013722794	0	58	0.0	-84.61	425.70	8.49	-76.12
CCCC[NH+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300013722795	0	58	0.0	-79.34	418.43	8.06	-71.28
CCCC[NH+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013722796	0	49	0.0	-77.66	374.83	6.98	-70.68
CCCC[NH+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013722797	0	60	0.0	-70.85	420.57	8.94	-61.91
CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013722798	0	54	0.0	-68.78	395.59	8.40	-60.38
CCCC[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013722799	0	57	0.0	-75.71	418.00	8.65	-67.06
CCCC[NH+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013722800	0	54	0.0	-75.69	391.48	9.30	-66.39
CCCC[NH+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013722801	0	55	0.0	-76.27	408.05	8.71	-67.56
CCCC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013722802	0	54	0.0	-72.71	399.50	7.95	-64.76
CCCC[NH+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013722803	0	54	0.0	-70.16	395.15	8.37	-61.79
CCCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013722804	0	55	0.0	-63.35	401.52	6.52	-56.83
CCCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013722805	0	52	0.0	-65.13	386.32	5.50	-59.63
CCCC[NH+]1CCC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013722806	0	63	0.0	-76.25	472.15	10.65	-65.60
CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013722807	0	49	0.0	-72.68	376.56	7.47	-65.21
CCCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013722808	0	55	0.0	-67.21	401.43	9.43	-57.78
CCCC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013722809	0	51	0.0	-68.85	393.11	8.48	-60.37
CCCC[NH+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013722810	0	52	0.0	-79.47	382.08	7.90	-71.57
CCCC[NH+]1CCC(NC(=O)N2CC(OC)CC(C(=O)[O-])C2)CC1	REAL300013722811	0	55	0.0	-63.84	404.79	7.71	-56.13
CCCC[NH+]1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013722812	0	49	0.0	-77.56	375.06	7.46	-70.10
CC1=[NH+]C=CN1CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013722864	1	40	0.0	-72.46	340.72	6.41	-66.05
CC1=[NH+]C=CN1CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013722865	1	40	0.0	-71.35	340.73	6.41	-64.94
CC1=[NH+]C=CN1CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013722866	1	50	0.0	-68.80	389.22	9.88	-58.92
CC1=[NH+]C=CN1CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013722867	1	44	0.0	-57.47	344.04	4.29	-53.18
CC1=[NH+]C=CN1CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013722868	1	49	0.0	-72.63	379.04	7.34	-65.29
CC1=[NH+]C=CN1CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013722869	1	46	0.0	-58.12	367.69	7.74	-50.38
CC1=[NH+]C=CN1CCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013722870	1	46	0.0	-69.58	357.47	8.25	-61.33
CC1=[NH+]C=CN1CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013722871	1	42	0.0	-70.52	334.50	4.94	-65.58
CC1=[NH+]C=CN1CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013722872	1	48	0.0	-66.80	369.45	6.74	-60.06
CC1=[NH+]C=CN1CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013722873	1	40	0.0	-63.99	334.33	6.54	-57.45
COCC1(C(=O)[O-])CCN(C(=O)NCCN2C=C[NH+]=C2C)C1	REAL300013722874	1	44	0.0	-74.73	352.19	6.27	-68.46
CC1=[NH+]C=CN1CCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013722876	1	50	0.0	-75.55	400.12	8.08	-67.47
CC1=[NH+]C=CN1CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013722877	1	40	0.0	-71.35	340.73	6.41	-64.94
COC(=O)C1CC2(C1)CN(C(=O)NCCN1C=C[NH+]=C1C)CC2C(=O)[O-]	REAL300013722878	1	50	0.0	-59.72	400.71	8.27	-51.45
CC1=[NH+]C=CN1CCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013722879	1	46	0.0	-74.15	350.80	8.18	-65.97
CC1=[NH+]C=CN1CCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013722880	1	48	0.0	-71.84	388.96	7.43	-64.41
COCC1(C(=O)[O-])CCCN(C(=O)NCCN2C=C[NH+]=C2C)C1	REAL300013722881	1	47	0.0	-77.46	364.48	6.69	-70.77
CC1=[NH+]C=CN1CCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013722882	1	49	0.0	-73.19	390.79	8.75	-64.44
CC1=[NH+]C=CN1CCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013722883	1	46	0.0	-72.93	357.78	8.22	-64.71
CC1=[NH+]C=CN1CCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013722884	1	44	0.0	-72.25	350.80	9.31	-62.94
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCN2C=C[NH+]=C2C)CCO1	REAL300013722885	1	51	0.0	-71.10	407.02	6.53	-64.57
CC1=[NH+]C=CN1CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013722886	1	41	0.0	-64.16	329.96	5.55	-58.61
CC1=[NH+]C=CN1CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013722887	1	47	0.0	-61.97	380.16	9.39	-52.58
CC1=[NH+]C=CN1CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013722888	1	44	0.0	-69.91	363.40	7.65	-62.26
CC1=[NH+]C=CN1CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013722889	1	47	0.0	-77.38	369.04	6.64	-70.74
COCC1(C(=O)[O-])CCN(C(=O)NCCN2C=C[NH+]=C2C)CC1	REAL300013722890	1	47	0.0	-69.93	361.50	6.84	-63.09
CC1=[NH+]C=CN1CCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013722891	1	49	0.0	-65.68	364.37	7.08	-58.60
CC1=[NH+]C=CN1CCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013722892	1	46	0.0	-72.15	363.08	6.83	-65.32
CC1=[NH+]C=CN1CCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013722893	1	44	0.0	-71.80	351.70	6.87	-64.93
CC1=[NH+]C=CN1CCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013722894	1	44	0.0	-63.32	348.17	4.95	-58.37
CC1=[NH+]C=CN1CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013722895	1	52	0.0	-71.87	415.35	8.77	-63.10
CC1=[NH+]C=CN1CCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013722896	1	44	0.0	-60.82	345.22	7.57	-53.25
CC1=[NH+]C=CN1CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013722897	1	40	0.0	-62.55	337.44	6.65	-55.90
COC1CC(C(=O)[O-])CN(C(=O)NCCN2C=C[NH+]=C2C)C1	REAL300013722898	1	44	0.0	-58.10	348.52	5.88	-52.22
CC1=[NH+]C=CN1CCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013722899	1	49	0.0	-74.98	395.95	5.36	-69.62
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2=CC=C(Cl)C=C2)CC1	REAL300013722982	1	48	0.0	-37.19	392.48	8.31	-28.88
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=C(F)C=C3)CCC2)CC1	REAL300013723056	1	52	0.0	-36.58	401.73	8.77	-27.81
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3=CC=CC=C3C2)CC1	REAL300013723127	1	49	0.0	-41.47	373.63	8.08	-33.39
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=NC(OC3CCCCC3)=C2)CC1	REAL300013723198	1	58	0.0	-37.88	443.84	6.76	-31.12
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(OC3=CC=CC=C3)N=C2)CC1	REAL300013723265	1	52	0.0	-39.77	419.93	6.57	-33.20
COC1=CC=CC=C1C1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013723350	1	53	0.0	-36.99	411.98	7.71	-29.28
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(OC3CCCCC3)N=C2)CC1	REAL300013723424	1	58	0.0	-37.45	443.81	6.74	-30.71
COCCOCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013723488	1	52	0.0	-39.34	404.99	4.07	-35.27
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=NN(C3=CC=C(F)C=C3)C=C2)CC1	REAL300013723559	1	52	0.0	-47.56	419.51	8.18	-39.38
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC1=CC=C(F)C=C1	REAL300013723624	1	49	0.0	-37.61	386.99	6.48	-31.13
O=C([O-])C[NH+]1CCC(NC(=O)NCCCNC(=O)C2=CC=CC=C2F)CC1	REAL300013723753	1	52	0.0	-48.84	415.39	5.54	-43.30
CSC1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013723813	1	46	0.0	-35.71	361.12	6.57	-29.14
CC(C)(C)S(=O)(=O)CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013723880	1	50	0.0	-47.38	391.75	2.76	-44.62
O=C([O-])C[NH+]1CCC(NC(=O)NC2COC3=C2C=CC(Cl)=C3Cl)CC1	REAL300013723954	1	44	0.0	-37.96	378.73	6.45	-31.51
NC(=O)COC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013724021	1	50	0.0	-46.24	401.23	3.68	-42.56
COC1=CC=C(OC(C)CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013724096	1	53	0.0	-38.14	410.08	5.71	-32.43
COC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013724182	1	49	0.0	-42.33	402.82	6.62	-35.71
COC1=CC=CC=C1OC(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013724256	1	53	0.0	-38.20	409.67	6.36	-31.84
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)SC1=CC=CC=C1	REAL300013724330	1	49	0.0	-36.02	388.13	8.09	-27.93
CC(C)OC(=O)C(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013724400	1	50	0.0	-40.75	389.03	6.38	-34.37
CC1=NN(C)C(N2CCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=O)=C1	REAL300013724475	1	53	0.0	-48.91	420.95	6.01	-42.90
CCC1=CN=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013724578	1	47	0.0	-42.84	382.44	5.71	-37.13
CCC1=CN=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013724637	1	44	0.0	-36.52	360.94	4.95	-31.57
CC(C)(C)C(=O)NCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013724697	1	51	0.0	-40.35	392.38	3.62	-36.73
O=C([O-])C[NH+]1CCC(NC(=O)NCC(C2CC2)C2CC2)CC1	REAL300013724744	1	49	0.0	-35.23	375.57	7.68	-27.55
CCC(CC)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)SC	REAL300013724802	1	51	0.0	-36.56	378.19	6.81	-29.75
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(Cl)=C2F)CC1	REAL300013724873	1	42	0.0	-38.26	354.90	6.79	-31.47
O=C([O-])C1CCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)CC1	REAL300013724918	0	52	0.0	-72.91	376.84	9.00	-63.91
O=C([O-])C1CCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC1	REAL300013724918	1	52	0.0	-74.38	377.91	9.08	-65.30
O=C([O-])C1=CC=C(CNC(=O)NC2CC[N@H+](CC3CCCC3)C2)C=C1	REAL300013724919	0	52	0.0	-78.83	402.23	8.77	-70.06
O=C([O-])C1=CC=C(CNC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C=C1	REAL300013724919	1	52	0.0	-78.41	401.91	8.73	-69.68
O=C([O-])C1CN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)CCO1	REAL300013724920	0	50	0.0	-79.35	371.04	7.48	-71.87
O=C([O-])C1CN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCO1	REAL300013724920	1	50	0.0	-63.79	370.71	7.51	-56.28
O=C([O-])C1CCC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CC1	REAL300013724921	0	55	0.0	-79.90	404.86	8.45	-71.45
O=C([O-])C1CCC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC1	REAL300013724921	1	55	0.0	-68.54	400.12	8.85	-59.69
O=C([O-])CCCCNC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300013724922	0	51	0.0	-76.67	385.91	7.42	-69.25
O=C([O-])CCCCNC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300013724922	1	51	0.0	-77.02	385.65	7.41	-69.61
O=C([O-])C1=CC(CNC(=O)NC2CC[N@H+](CC3CCCC3)C2)=CC=C1	REAL300013724923	0	52	0.0	-77.37	402.17	8.73	-68.64
O=C([O-])C1=CC(CNC(=O)NC2CC[N@@H+](CC3CCCC3)C2)=CC=C1	REAL300013724923	1	52	0.0	-77.49	401.91	8.72	-68.77
O=C([O-])CCCCCNC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300013724924	0	54	0.0	-75.57	407.41	8.20	-67.37
O=C([O-])CCCCCNC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300013724924	1	54	0.0	-75.78	407.15	8.19	-67.59
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)CC1	REAL300013724925	0	62	0.0	-84.04	456.42	12.66	-71.38
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC1	REAL300013724925	1	62	0.0	-82.02	448.33	12.37	-69.65
CC(C)(CNC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013724926	0	51	0.0	-77.46	378.41	7.33	-70.13
CC(C)(CNC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013724926	1	51	0.0	-76.86	378.09	7.32	-69.54
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300013724927	0	52	0.0	-75.79	382.87	8.85	-66.94
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300013724927	1	52	0.0	-74.45	382.05	8.75	-65.70
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300013724928	0	55	0.0	-80.55	400.39	9.76	-70.79
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300013724928	1	55	0.0	-60.76	395.09	10.01	-50.75
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)CC1	REAL300013724929	0	55	0.0	-75.92	390.20	9.39	-66.53
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC1	REAL300013724929	1	55	0.0	-74.85	391.40	9.41	-65.44
CC1CCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)CC1C(=O)[O-]	REAL300013724930	0	55	0.0	-79.64	393.39	9.64	-70.00
CC1CCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC1C(=O)[O-]	REAL300013724930	1	55	0.0	-59.93	389.58	9.38	-50.55
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCOCC1	REAL300013724931	0	56	0.0	-64.95	403.05	6.83	-58.12
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCOCC1	REAL300013724931	1	56	0.0	-65.05	404.24	6.81	-58.24
CC(C)(CCNC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013724932	0	54	0.0	-72.53	397.11	7.51	-65.02
CC(C)(CCNC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013724932	1	54	0.0	-72.74	397.15	7.53	-65.21
CCC(CC)(CNC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013724933	0	57	0.0	-65.49	410.00	8.32	-57.17
CCC(CC)(CNC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013724933	1	57	0.0	-65.31	409.75	8.31	-57.00
CC(C)C(CNC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013724934	0	54	0.0	-66.22	400.19	7.78	-58.44
CC(C)C(CNC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013724934	1	54	0.0	-63.60	394.43	7.90	-55.70
CC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013724935	0	61	0.0	-78.87	440.32	9.58	-69.29
CC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013724935	1	61	0.0	-79.43	440.14	9.67	-69.76
CC(CNC(=O)NC1CC[N@H+](CC2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013724936	0	58	0.0	-63.19	427.90	10.19	-53.00
CC(CNC(=O)NC1CC[N@@H+](CC2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013724936	1	58	0.0	-66.23	433.03	9.95	-56.28
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300013724937	0	52	0.0	-69.06	385.69	7.79	-61.27
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300013724937	1	52	0.0	-71.73	385.54	7.92	-63.81
O=C([O-])CCC1CCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)CC1	REAL300013724938	0	58	0.0	-76.46	417.62	10.45	-66.01
O=C([O-])CCC1CCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC1	REAL300013724938	1	58	0.0	-75.78	418.59	10.56	-65.22
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[N@H+](CC3CCCC3)C1)C2	REAL300013724939	0	54	0.0	-76.07	390.22	6.97	-69.10
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[N@@H+](CC3CCCC3)C1)C2	REAL300013724939	1	54	0.0	-75.41	395.75	7.29	-68.12
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCCC1	REAL300013724940	0	55	0.0	-64.74	401.42	8.72	-56.02
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCCC1	REAL300013724940	1	55	0.0	-64.66	402.62	8.71	-55.95
CC1CN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)CCC1C(=O)[O-]	REAL300013724941	0	55	0.0	-71.74	392.82	9.55	-62.19
CC1CN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCC1C(=O)[O-]	REAL300013724941	1	55	0.0	-71.76	393.11	9.58	-62.18
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCC1	REAL300013724942	0	52	0.0	-61.83	382.32	7.96	-53.87
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCC1	REAL300013724942	1	52	0.0	-62.80	385.55	7.86	-54.94
O=C([O-])CC(CNC(=O)NC1CC[N@H+](CC2CCCC2)C1)C1CC1	REAL300013724943	0	55	0.0	-74.65	410.45	8.68	-65.97
O=C([O-])CC(CNC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C1CC1	REAL300013724943	1	55	0.0	-68.81	408.51	8.67	-60.14
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)CC1	REAL300013724944	0	55	0.0	-75.92	390.20	9.39	-66.53
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC1	REAL300013724944	1	55	0.0	-74.85	391.40	9.41	-65.44
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](CC2CCCC2)C1)CC(=O)[O-]	REAL300013724945	0	60	0.0	-70.68	430.62	9.01	-61.67
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](CC2CCCC2)C1)CC(=O)[O-]	REAL300013724945	1	60	0.0	-71.25	430.66	9.01	-62.24
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300013724946	0	52	0.0	-69.72	395.82	8.82	-60.90
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300013724946	1	52	0.0	-69.58	395.52	8.84	-60.74
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300013724947	0	56	0.0	-76.63	413.58	8.37	-68.26
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300013724947	1	56	0.0	-73.49	414.55	8.50	-64.99
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300013724948	0	49	0.0	-72.01	369.37	7.10	-64.91
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300013724948	1	49	0.0	-71.91	369.24	7.20	-64.71
O=C([O-])CN1CCC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)CC1	REAL300013724949	0	57	0.0	-76.81	417.50	6.24	-70.57
O=C([O-])CN1CCC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CC1	REAL300013724949	1	57	0.0	-74.75	417.66	6.26	-68.49
O=C([O-])[C@@H]1CCCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300013724950	0	52	0.0	-59.39	372.66	8.80	-50.59
O=C([O-])[C@@H]1CCCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300013724950	1	52	0.0	-60.74	379.69	9.07	-51.67
O=C([O-])[C@H]1CCCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300013724951	0	52	0.0	-79.58	378.57	9.04	-70.54
O=C([O-])[C@H]1CCCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300013724951	1	52	0.0	-61.18	379.28	9.16	-52.02
O=C([O-])C1CC(NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300013724952	0	49	0.0	-74.73	369.83	7.26	-67.47
O=C([O-])C1CC(NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300013724952	1	49	0.0	-71.90	370.31	7.20	-64.70
O=C([O-])[C@H]1C[C@H](NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300013724953	0	49	0.0	-74.13	369.18	7.16	-66.97
O=C([O-])[C@H]1C[C@H](NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300013724953	1	49	0.0	-74.15	369.45	7.24	-66.91
O=C([O-])C1=CC(CNC(=O)NC2CC[N@H+](CC3CCCC3)C2)=CC=C1	REAL300013724954	0	52	0.0	-77.37	402.17	8.73	-68.64
O=C([O-])C1=CC(CNC(=O)NC2CC[N@@H+](CC3CCCC3)C2)=CC=C1	REAL300013724954	1	52	0.0	-77.49	401.91	8.72	-68.77
CCC(CNC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013724955	0	51	0.0	-63.68	378.00	7.49	-56.19
CCC(CNC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013724955	1	51	0.0	-65.84	382.89	7.31	-58.53
O=C([O-])CCC1CCCCN1C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300013724956	0	58	0.0	-79.22	412.44	10.41	-68.81
O=C([O-])CCC1CCCCN1C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300013724956	1	58	0.0	-80.60	412.48	10.51	-70.09
O=C([O-])CCCCCCCNC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300013724957	0	60	0.0	-77.77	450.40	9.76	-68.01
O=C([O-])CCCCCCCNC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300013724957	1	60	0.0	-78.04	450.14	9.75	-68.29
O=C([O-])CCCCCCNC(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300013724958	0	57	0.0	-78.36	428.90	8.98	-69.38
O=C([O-])CCCCCCNC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300013724958	1	57	0.0	-78.81	428.65	8.97	-69.84
CN(CCCC(=O)[O-])C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300013724959	0	51	0.0	-76.98	381.81	9.02	-67.96
CN(CCCC(=O)[O-])C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300013724959	1	51	0.0	-75.67	382.58	8.99	-66.68
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300013724960	0	55	0.0	-81.24	392.18	9.86	-71.38
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300013724960	1	55	0.0	-81.50	393.71	9.84	-71.66
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300013724961	0	59	0.0	-84.79	422.84	9.78	-75.01
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300013724961	1	59	0.0	-63.25	425.52	9.04	-54.21
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@H+](CC2CCCC2)C1	REAL300013724962	0	55	0.0	-58.43	413.77	8.75	-49.68
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300013724962	1	55	0.0	-57.34	409.14	8.57	-48.77
O=C([O-])CCC1CCCN(C(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300013724963	0	58	0.0	-80.19	417.76	10.59	-69.60
O=C([O-])CCC1CCCN(C(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300013724963	1	58	0.0	-80.17	418.76	10.56	-69.61
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CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1F	REAL300013725910	1	48	0.0	-37.95	381.67	7.72	-30.23
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O=C([O-])C1CCC(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1	REAL300013726370	0	62	0.0	-75.22	431.31	7.71	-67.51
O=C([O-])CCCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300013726371	0	58	0.0	-73.29	412.41	6.70	-66.59
O=C([O-])C1=CC(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)=CC=C1	REAL300013726372	0	59	0.0	-75.46	428.68	8.01	-67.45
O=C([O-])CCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300013726373	0	52	0.0	-69.90	369.42	5.12	-64.78
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CC(C)(CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013726375	0	58	0.0	-72.69	404.86	6.58	-66.11
CC1(C(=O)[O-])CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300013726376	0	59	0.0	-76.19	409.72	8.53	-67.66
CC1CC(C(=O)[O-])CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300013726377	0	62	0.0	-53.65	418.18	9.43	-44.22
CC1(C(=O)[O-])CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1	REAL300013726378	0	62	0.0	-78.65	415.95	8.91	-69.74
O=C([O-])CCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300013726379	0	55	0.0	-69.37	390.92	5.91	-63.46
CC1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1C(=O)[O-]	REAL300013726380	0	62	0.0	-85.87	422.39	8.73	-77.14
O=C([O-])C1(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCOCC1	REAL300013726381	0	63	0.0	-65.22	430.11	6.19	-59.03
CC(C)(CCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013726382	0	61	0.0	-70.66	424.20	6.80	-63.86
CCC(CC)(CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013726383	0	64	0.0	-65.41	436.51	7.60	-57.81
CC(CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013726384	0	55	0.0	-71.21	387.96	5.88	-65.33
CC(C)C(CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013726385	0	61	0.0	-64.12	421.45	7.17	-56.95
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O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1(C[NH+]3CCOCC3)CCCCC1)C2	REAL300013726388	0	61	0.0	-74.16	422.85	6.77	-67.39
O=C([O-])C1(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCC1	REAL300013726389	0	62	0.0	-65.00	429.90	8.10	-56.90
CC1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC1C(=O)[O-]	REAL300013726390	0	62	0.0	-72.85	425.13	9.01	-63.84
O=C([O-])C1(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC1	REAL300013726391	0	59	0.0	-61.38	411.92	7.38	-54.00
O=C([O-])CC(CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1	REAL300013726392	0	62	0.0	-71.47	436.41	7.91	-63.56
CC1(C(=O)[O-])CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1	REAL300013726393	0	62	0.0	-78.65	415.95	8.91	-69.74
CC(C)C[C@H](CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)CC(=O)[O-]	REAL300013726394	0	67	0.0	-69.11	457.19	8.35	-60.76
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COCC1(C(=O)[O-])CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300013726396	0	63	0.0	-81.05	440.57	7.65	-73.40
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O=C([O-])[C@H]1C[C@H](NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300013726402	0	56	0.0	-71.67	396.64	6.60	-65.07
O=C([O-])C1=CC(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)=CC=C1	REAL300013726403	0	59	0.0	-75.46	428.68	8.01	-67.45
CCC(CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013726404	0	58	0.0	-66.49	409.92	6.58	-59.91
O=C([O-])CCC1CCCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300013726405	0	65	0.0	-88.87	435.84	9.78	-79.09
O=C([O-])CCCCCCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300013726406	0	67	0.0	-74.87	476.91	9.04	-65.83
O=C([O-])CCCCCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300013726407	0	64	0.0	-75.09	455.41	8.26	-66.83
CN(CCCC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300013726408	0	58	0.0	-72.51	408.54	8.30	-64.21
CC1(C(=O)[O-])CCCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300013726409	0	62	0.0	-80.65	418.05	9.35	-71.30
COCCN(CCC(=O)[O-])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300013726410	0	62	0.0	-64.98	440.23	7.66	-57.32
O=C([O-])CCC1CCCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300013726411	0	65	0.0	-84.88	443.74	9.63	-75.25
O=C([O-])C(=O)N1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1	REAL300013726412	0	60	0.0	-73.09	414.90	7.51	-65.58
CC1CCC(C(=O)[O-])CN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300013726413	0	62	0.0	-56.87	417.93	8.96	-47.91
O=C([O-])C1(O)CCCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300013726414	0	60	0.0	-78.10	412.15	6.16	-71.94
O=C([O-])C12CC(NC(=O)NCC3(C[NH+]4CCOCC4)CCCCC3)(C1)C2	REAL300013726415	0	57	0.0	-74.54	405.81	6.66	-67.88
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1	REAL300013726416	0	62	0.0	-68.03	423.54	7.99	-60.04
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1	REAL300013726417	0	65	0.0	-75.53	451.73	8.47	-67.06
O=C([O-])CC1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1	REAL300013726418	0	62	0.0	-69.70	420.24	9.08	-60.62
O=C([O-])COC1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1	REAL300013726419	0	63	0.0	-82.41	436.84	8.51	-73.90
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300013726420	0	62	0.0	-74.31	431.83	7.83	-66.48
O=C([O-])C1CCCC(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300013726421	0	62	0.0	-69.82	426.54	8.12	-61.70
O=C([O-])C1(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCOC1	REAL300013726422	0	63	0.0	-71.63	435.96	6.61	-65.02
O=C([O-])C1(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCOC1	REAL300013726423	0	60	0.0	-65.46	418.06	5.25	-60.21
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1(C[NH+]3CCOCC3)CCCCC1)C2	REAL300013726424	0	57	0.0	-69.84	405.79	7.78	-62.06
O=C([O-])C1(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1	REAL300013726425	0	56	0.0	-62.79	396.56	6.85	-55.94
O=C([O-])C1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC12CCC2	REAL300013726426	0	63	0.0	-68.34	434.24	9.28	-59.06
CC1(C(=O)[O-])CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCO1	REAL300013726427	0	60	0.0	-80.07	410.06	8.11	-71.96
O=C([O-])C1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300013726428	0	53	0.0	-69.49	377.68	6.80	-62.69
COC1CC(C(=O)[O-])CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300013726429	0	63	0.0	-58.09	435.27	7.58	-50.51
O=C([O-])C1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300013726430	0	56	0.0	-78.11	392.58	7.58	-70.53
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1(C[NH+]3CCOCC3)CCCCC1)C2	REAL300013726431	0	57	0.0	-75.67	402.21	7.30	-68.37
CC(CCC(=O)[O-])NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300013726432	0	58	0.0	-67.57	410.67	6.93	-60.64
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1F	REAL300013726463	1	45	0.0	-38.29	363.34	7.64	-30.65
CC1=CC=CC(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=CC(C)=C2)=C1	REAL300013726536	1	58	0.0	-37.52	450.94	11.65	-25.87
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(=O)N1CCOCC1	REAL300013726603	1	53	0.0	-37.35	393.17	3.44	-33.91
COC(C)C1=NC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CS1	REAL300013726677	1	48	0.0	-36.99	393.40	3.72	-33.27
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1F	REAL300013726749	1	45	0.0	-38.54	361.49	7.26	-31.28
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NOC(CC2=CC=CC=C2)=N1	REAL300013726822	1	53	0.0	-38.04	426.28	6.22	-31.82
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3(CCOCC3)CC2)CC1	REAL300013726887	1	56	0.0	-37.04	395.60	6.09	-30.95
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCC(C(F)(F)F)C2)CC1	REAL300013726961	1	51	0.0	-37.78	392.61	7.61	-30.17
CCC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC1=CC=CC(F)=C1	REAL300013727036	1	52	0.0	-36.87	402.48	7.09	-29.78
COC1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1(C)C	REAL300013727090	1	49	0.0	-37.44	368.11	5.09	-32.35
CCC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC1=CC=CC(Cl)=C1	REAL300013727196	1	52	0.0	-36.40	412.80	7.54	-28.86
NC(=O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013727262	1	45	0.0	-44.61	364.56	1.29	-43.32
CC1CC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C[N@@H+]1C1CC1	REAL300013727301	0	46	0.0	-73.31	364.41	7.06	-66.25
CC1CC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C[N@H+]1C1CC1	REAL300013727301	1	46	0.0	-73.04	368.09	7.34	-65.70
CC1CC(NC(=O)NC2CCC(C(=O)[O-])CC2)C[N@@H+]1C1CC1	REAL300013727302	0	49	0.0	-63.01	361.17	7.15	-55.86
CC1CC(NC(=O)NC2CCC(C(=O)[O-])CC2)C[N@H+]1C1CC1	REAL300013727302	1	49	0.0	-63.58	365.16	7.39	-56.19
CC1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@@H+]1C1CC1	REAL300013727303	0	46	0.0	-72.65	364.43	7.05	-65.60
CC1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@H+]1C1CC1	REAL300013727303	1	46	0.0	-72.34	365.07	7.27	-65.07
CC1CC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C[N@@H+]1C1CC1	REAL300013727304	0	56	0.0	-76.47	413.17	10.73	-65.74
CC1CC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C[N@H+]1C1CC1	REAL300013727304	1	56	0.0	-75.60	419.13	11.11	-64.49
CC1CC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)C[N@@H+]1C1CC1	REAL300013727305	0	49	0.0	-74.38	362.59	8.07	-66.31
CC1CC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)C[N@H+]1C1CC1	REAL300013727305	1	49	0.0	-73.61	365.63	8.27	-65.34
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@@H+]1C1CC1	REAL300013727306	0	49	0.0	-71.36	354.14	7.67	-63.69
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@H+]1C1CC1	REAL300013727306	1	49	0.0	-68.86	358.16	7.98	-60.88
CC1CC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)C[N@@H+]1C1CC1	REAL300013727307	0	49	0.0	-57.08	365.52	8.36	-48.72
CC1CC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)C[N@H+]1C1CC1	REAL300013727307	1	49	0.0	-55.20	352.11	7.87	-47.33
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C[N@@H+]1C1CC1	REAL300013727308	0	50	0.0	-60.68	366.44	5.12	-55.56
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C[N@H+]1C1CC1	REAL300013727308	1	50	0.0	-60.14	367.21	5.30	-54.84
CCC(CC)(CNC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300013727309	0	51	0.0	-59.70	372.43	6.63	-53.07
CCC(CC)(CNC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300013727309	1	51	0.0	-58.58	370.46	7.18	-51.40
CC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013727310	0	55	0.0	-72.98	400.24	7.61	-65.37
CC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013727310	1	55	0.0	-74.12	403.26	7.85	-66.27
CC1CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1C1CC1	REAL300013727311	0	52	0.0	-61.90	395.54	8.28	-53.62
CC1CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1C1CC1	REAL300013727311	1	52	0.0	-59.69	395.29	8.75	-50.94
CC1CC(NC(=O)N2CCC(CCC(=O)[O-])CC2)C[N@@H+]1C1CC1	REAL300013727312	0	52	0.0	-70.39	381.15	8.87	-61.52
CC1CC(NC(=O)N2CCC(CCC(=O)[O-])CC2)C[N@H+]1C1CC1	REAL300013727312	1	52	0.0	-70.68	381.81	9.07	-61.61
CC1CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C[N@@H+]1C1CC1	REAL300013727313	0	48	0.0	-70.43	358.49	5.59	-64.84
CC1CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C[N@H+]1C1CC1	REAL300013727313	1	48	0.0	-70.43	355.34	5.60	-64.83
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)C[N@@H+]1C1CC1	REAL300013727314	0	49	0.0	-58.75	365.08	7.01	-51.74
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)C[N@H+]1C1CC1	REAL300013727314	1	49	0.0	-59.55	369.03	7.25	-52.30
CC1CC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)C[N@@H+]1C1CC1	REAL300013727315	0	49	0.0	-68.06	357.52	8.49	-59.57
CC1CC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)C[N@H+]1C1CC1	REAL300013727315	1	49	0.0	-69.17	361.93	8.23	-60.94
CC1CC(NC(=O)NCC(CC(=O)[O-])C2CC2)C[N@@H+]1C1CC1	REAL300013727316	0	49	0.0	-70.35	372.12	6.95	-63.40
CC1CC(NC(=O)NCC(CC(=O)[O-])C2CC2)C[N@H+]1C1CC1	REAL300013727316	1	49	0.0	-67.73	365.26	7.75	-59.98
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@@H+]1C1CC1	REAL300013727317	0	49	0.0	-71.36	354.14	7.67	-63.69
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@H+]1C1CC1	REAL300013727317	1	49	0.0	-68.86	358.16	7.98	-60.88
CC(C)C[C@H](CNC(=O)NC1CC(C)[N@@H+](C2CC2)C1)CC(=O)[O-]	REAL300013727318	0	54	0.0	-63.95	398.54	7.56	-56.39
CC(C)C[C@H](CNC(=O)NC1CC(C)[N@H+](C2CC2)C1)CC(=O)[O-]	REAL300013727318	1	54	0.0	-63.96	402.23	7.78	-56.18
CC1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@@H+]1C1CC1	REAL300013727319	0	46	0.0	-63.92	357.91	7.18	-56.74
CC1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@H+]1C1CC1	REAL300013727319	1	46	0.0	-64.78	358.48	7.36	-57.42
COCC1(C(=O)[O-])CCN(C(=O)NC2CC(C)[N@@H+](C3CC3)C2)C1	REAL300013727320	0	50	0.0	-74.09	381.06	7.20	-66.89
COCC1(C(=O)[O-])CCN(C(=O)NC2CC(C)[N@H+](C3CC3)C2)C1	REAL300013727320	1	50	0.0	-74.39	374.69	6.75	-67.64
CC1CC(NC(=O)NC2CCN(CC(=O)[O-])CC2)C[N@@H+]1C1CC1	REAL300013727321	0	51	0.0	-69.31	380.04	4.60	-64.71
CC1CC(NC(=O)NC2CCN(CC(=O)[O-])CC2)C[N@H+]1C1CC1	REAL300013727321	1	51	0.0	-69.24	383.77	4.86	-64.38
CC1CC(NC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)C[N@@H+]1C1CC1	REAL300013727322	0	56	0.0	-68.98	419.29	8.82	-60.16
CC1CC(NC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)C[N@H+]1C1CC1	REAL300013727322	1	56	0.0	-76.90	427.48	8.99	-67.91
CC1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@@H+]1C1CC1	REAL300013727323	0	46	0.0	-72.65	364.43	7.05	-65.60
CC1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@H+]1C1CC1	REAL300013727323	1	46	0.0	-72.34	365.07	7.27	-65.07
COC(=O)C1CC2(C1)CN(C(=O)NC1CC(C)[N@@H+](C3CC3)C1)CC2C(=O)[O-]	REAL300013727324	0	56	0.0	-63.53	423.64	9.05	-54.48
COC(=O)C1CC2(C1)CN(C(=O)NC1CC(C)[N@H+](C3CC3)C1)CC2C(=O)[O-]	REAL300013727324	1	56	0.0	-67.97	424.17	9.07	-58.90
CC1CC(NC(=O)N2CCCCC2CCC(=O)[O-])C[N@@H+]1C1CC1	REAL300013727325	0	52	0.0	-74.31	374.43	8.84	-65.47
CC1CC(NC(=O)N2CCCCC2CCC(=O)[O-])C[N@H+]1C1CC1	REAL300013727325	1	52	0.0	-78.30	371.74	8.73	-69.57
CC1CC(NC(=O)NCCCCCCCC(=O)[O-])C[N@@H+]1C1CC1	REAL300013727326	0	54	0.0	-72.40	412.65	8.08	-64.32
CC1CC(NC(=O)NCCCCCCCC(=O)[O-])C[N@H+]1C1CC1	REAL300013727326	1	54	0.0	-72.30	416.26	8.35	-63.95
CC1CC(NC(=O)NCCCCCCC(=O)[O-])C[N@@H+]1C1CC1	REAL300013727327	0	51	0.0	-73.04	391.15	7.30	-65.74
CC1CC(NC(=O)NCCCCCCC(=O)[O-])C[N@H+]1C1CC1	REAL300013727327	1	51	0.0	-72.98	394.76	7.56	-65.42
CC1CC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C[N@@H+]1C1CC1	REAL300013727328	0	49	0.0	-74.79	362.35	8.56	-66.23
CC1CC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C[N@H+]1C1CC1	REAL300013727328	1	49	0.0	-75.45	357.07	8.38	-67.07
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC(C)[N@@H+](C3CC3)C2)C1	REAL300013727329	0	53	0.0	-78.80	394.21	7.74	-71.06
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC(C)[N@H+](C3CC3)C2)C1	REAL300013727329	1	53	0.0	-79.39	389.31	7.55	-71.84
COCCN(CCC(=O)[O-])C(=O)NC1CC(C)[N@@H+](C2CC2)C1	REAL300013727330	0	49	0.0	-55.31	375.96	6.69	-48.62
COCCN(CCC(=O)[O-])C(=O)NC1CC(C)[N@H+](C2CC2)C1	REAL300013727330	1	49	0.0	-52.96	375.32	7.18	-45.78
CC1CC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C[N@@H+]1C1CC1	REAL300013727331	0	55	0.0	-77.18	413.74	8.92	-68.26
CC1CC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C[N@H+]1C1CC1	REAL300013727331	1	55	0.0	-74.53	416.30	9.26	-65.27
CC1CC(NC(=O)N2CCCC(CCC(=O)[O-])C2)C[N@@H+]1C1CC1	REAL300013727332	0	52	0.0	-74.22	386.11	9.21	-65.01
CC1CC(NC(=O)N2CCCC(CCC(=O)[O-])C2)C[N@H+]1C1CC1	REAL300013727332	1	52	0.0	-74.44	382.12	9.08	-65.36
CC1CC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C[N@@H+]1C1CC1	REAL300013727333	0	50	0.0	-76.65	380.52	9.83	-66.82
CC1CC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C[N@H+]1C1CC1	REAL300013727333	1	50	0.0	-80.26	377.73	9.69	-70.57
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2CC(C)[N@@H+](C3CC3)C2)CCO1	REAL300013727334	0	57	0.0	-79.80	427.40	7.44	-72.36
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2CC(C)[N@H+](C3CC3)C2)CCO1	REAL300013727334	1	57	0.0	-67.70	426.53	7.09	-60.61
CC1CC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C[N@@H+]1C1CC1	REAL300013727335	0	47	0.0	-64.93	353.52	6.20	-58.73
CC1CC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C[N@H+]1C1CC1	REAL300013727335	1	47	0.0	-64.56	357.14	6.43	-58.13
CC1CC(NC(=O)N2CC(C(=O)[O-])CCC2C)C[N@@H+]1C1CC1	REAL300013727336	0	49	0.0	-53.55	357.17	7.98	-45.57
CC1CC(NC(=O)N2CC(C(=O)[O-])CCC2C)C[N@H+]1C1CC1	REAL300013727336	1	49	0.0	-54.38	353.39	7.96	-46.42
CC1CC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C[N@@H+]1C1CC1	REAL300013727337	0	53	0.0	-61.91	408.37	10.39	-51.52
CC1CC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C[N@H+]1C1CC1	REAL300013727337	1	53	0.0	-57.77	399.33	9.88	-47.89
CC1CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C[N@@H+]1C1CC1	REAL300013727338	0	47	0.0	-71.16	355.83	5.31	-65.85
CC1CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C[N@H+]1C1CC1	REAL300013727338	1	47	0.0	-71.92	347.88	4.92	-67.00
CC1CC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C[N@@H+]1C1CC1	REAL300013727339	0	50	0.0	-69.16	384.16	8.21	-60.95
CC1CC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C[N@H+]1C1CC1	REAL300013727339	1	50	0.0	-69.24	387.87	8.44	-60.80
CC1CC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C[N@@H+]1C1CC1	REAL300013727340	0	53	0.0	-74.87	395.41	6.37	-68.50
CC1CC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C[N@H+]1C1CC1	REAL300013727340	1	53	0.0	-80.71	397.52	6.39	-74.32
COCC1(C(=O)[O-])CCN(C(=O)NC2CC(C)[N@@H+](C3CC3)C2)CC1	REAL300013727341	0	53	0.0	-72.39	385.85	6.87	-65.52
COCC1(C(=O)[O-])CCN(C(=O)NC2CC(C)[N@H+](C3CC3)C2)CC1	REAL300013727341	1	53	0.0	-70.69	388.48	7.86	-62.83
CC1CC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C[N@@H+]1C1CC1	REAL300013727342	0	55	0.0	-65.11	387.78	7.74	-57.37
CC1CC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C[N@H+]1C1CC1	REAL300013727342	1	55	0.0	-63.87	388.43	7.93	-55.94
CC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C[N@@H+]1C1CC1	REAL300013727343	0	49	0.0	-63.65	361.57	7.33	-56.32
CC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C[N@H+]1C1CC1	REAL300013727343	1	49	0.0	-63.67	363.05	7.37	-56.30
CC1CC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C[N@@H+]1C1CC1	REAL300013727344	0	52	0.0	-72.54	385.40	7.46	-65.08
CC1CC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C[N@H+]1C1CC1	REAL300013727344	1	52	0.0	-72.68	390.63	7.72	-64.96
CC1CC(NC(=O)N2CCC(CC(=O)[O-])CC2)C[N@@H+]1C1CC1	REAL300013727345	0	49	0.0	-63.71	358.45	8.11	-55.60
CC1CC(NC(=O)N2CCC(CC(=O)[O-])CC2)C[N@H+]1C1CC1	REAL300013727345	1	49	0.0	-63.51	359.48	8.30	-55.21
CC1CC(NC(=O)N2CCC(OCC(=O)[O-])CC2)C[N@@H+]1C1CC1	REAL300013727346	0	50	0.0	-72.15	375.44	7.51	-64.64
CC1CC(NC(=O)N2CCC(OCC(=O)[O-])CC2)C[N@H+]1C1CC1	REAL300013727346	1	50	0.0	-72.94	376.04	7.71	-65.23
CC1CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C[N@@H+]1C1CC1	REAL300013727347	0	49	0.0	-68.46	366.71	6.75	-61.71
CC1CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C[N@H+]1C1CC1	REAL300013727347	1	49	0.0	-68.15	367.50	6.95	-61.20
CC1CC(NC(=O)NC2CCCC(C(=O)[O-])C2)C[N@@H+]1C1CC1	REAL300013727348	0	49	0.0	-64.88	365.81	7.49	-57.39
CC1CC(NC(=O)NC2CCCC(C(=O)[O-])C2)C[N@H+]1C1CC1	REAL300013727348	1	49	0.0	-67.97	366.98	6.92	-61.05
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCOC2)C[N@@H+]1C1CC1	REAL300013727349	0	50	0.0	-61.70	371.63	5.70	-56.00
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCOC2)C[N@H+]1C1CC1	REAL300013727349	1	50	0.0	-56.63	368.04	5.39	-51.24
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOC2)C[N@@H+]1C1CC1	REAL300013727350	0	47	0.0	-59.14	356.20	4.47	-54.67
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOC2)C[N@H+]1C1CC1	REAL300013727350	1	47	0.0	-60.28	356.80	4.64	-55.64
CC1CC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C[N@@H+]1C1CC1	REAL300013727351	0	58	0.0	-72.52	439.69	9.44	-63.08
CC1CC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C[N@H+]1C1CC1	REAL300013727351	1	58	0.0	-72.39	442.72	9.71	-62.68
CC1CC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C[N@@H+]1C1CC1	REAL300013727352	0	50	0.0	-59.08	371.32	8.51	-50.57
CC1CC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C[N@H+]1C1CC1	REAL300013727352	1	50	0.0	-61.13	369.08	8.41	-52.72
CC1CC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C[N@@H+]1C1CC1	REAL300013727353	0	46	0.0	-63.10	367.41	7.58	-55.52
CC1CC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C[N@H+]1C1CC1	REAL300013727353	1	46	0.0	-62.66	355.90	7.16	-55.50
CC1CC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C[N@@H+]1C1CC1	REAL300013727354	0	47	0.0	-74.97	354.10	6.98	-67.99
CC1CC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C[N@H+]1C1CC1	REAL300013727354	1	47	0.0	-75.17	346.14	6.61	-68.56
COC1CC(C(=O)[O-])CN(C(=O)NC2CC(C)[N@@H+](C3CC3)C2)C1	REAL300013727355	0	50	0.0	-73.27	373.30	6.41	-66.86
COC1CC(C(=O)[O-])CN(C(=O)NC2CC(C)[N@H+](C3CC3)C2)C1	REAL300013727355	1	50	0.0	-56.82	369.50	6.47	-50.35
CC1CC(NC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C[N@@H+]1C1CC1	REAL300013727356	0	55	0.0	-77.39	420.01	5.99	-71.40
CC1CC(NC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C[N@H+]1C1CC1	REAL300013727356	1	55	0.0	-81.57	423.43	6.24	-75.33
COC1=CC(OCCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(OC)=C1	REAL300013727415	1	57	0.0	-40.15	443.19	5.21	-34.94
CC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(N2CCOCC2)=C1	REAL300013727481	1	58	0.0	-36.66	441.18	6.34	-30.32
CCCCC(CCC)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013727540	1	56	0.0	-34.94	410.09	8.27	-26.67
CC(COC1CCOC1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013727604	1	50	0.0	-36.93	383.07	3.71	-33.22
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1	REAL300013727673	1	54	0.0	-43.29	420.91	4.11	-39.18
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300013727739	1	51	0.0	-45.40	418.72	7.82	-37.58
CC(NC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C(C)(C)C[NH+](C)C	REAL300013727774	0	50	0.0	-77.97	373.46	7.60	-70.37
CC(NC(=O)N1CCOC(C(=O)[O-])C1)C(C)(C)C[NH+](C)C	REAL300013727775	0	48	0.0	-66.57	343.22	6.44	-60.13
CC(NC(=O)NC1CCC(C(=O)[O-])CC1)C(C)(C)C[NH+](C)C	REAL300013727776	0	53	0.0	-70.97	372.44	7.75	-63.22
CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(C)(C)C[NH+](C)C	REAL300013727777	0	50	0.0	-77.63	371.25	7.60	-70.03
CC(NC(=O)NCCCCCC(=O)[O-])C(C)(C)C[NH+](C)C	REAL300013727778	0	52	0.0	-76.05	376.48	7.07	-68.98
CC(NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C(C)(C)C[NH+](C)C	REAL300013727779	0	60	0.0	-81.37	423.32	11.26	-70.11
CC(NC(=O)N1CC(C)CC(C(=O)[O-])C1)C(C)(C)C[NH+](C)C	REAL300013727780	0	53	0.0	-63.15	365.20	8.79	-54.36
CC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)C(C)(C)C[NH+](C)C	REAL300013727781	0	53	0.0	-76.64	360.33	8.23	-68.41
CC(NC(=O)N1CCC(C)C(C(=O)[O-])C1)C(C)(C)C[NH+](C)C	REAL300013727782	0	53	0.0	-81.30	370.19	8.58	-72.72
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)(C)C[NH+](C)C	REAL300013727783	0	54	0.0	-69.12	376.58	5.72	-63.40
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C(C)(C)C[NH+](C)C	REAL300013727784	0	52	0.0	-73.11	369.78	6.45	-66.66
CCC(CC)(CNC(=O)NC(C)C(C)(C)C[NH+](C)C)C(=O)[O-]	REAL300013727785	0	55	0.0	-67.82	380.04	7.42	-60.40
CC(C)C(CNC(=O)NC(C)C(C)(C)C[NH+](C)C)C(=O)[O-]	REAL300013727786	0	52	0.0	-68.97	371.48	6.64	-62.33
CC(NC(=O)NC(C)C(C)(C)C[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013727787	0	59	0.0	-80.01	412.73	8.61	-71.40
CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)(C)C[NH+](C)C	REAL300013727788	0	56	0.0	-66.84	401.21	8.97	-57.87
CC(NC(=O)N1CCC(CCC(=O)[O-])CC1)C(C)(C)C[NH+](C)C	REAL300013727789	0	56	0.0	-78.32	387.97	9.36	-68.96
CC(NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C(C)(C)C[NH+](C)C	REAL300013727790	0	52	0.0	-76.19	368.42	6.18	-70.01
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C(C)(C)C[NH+](C)C	REAL300013727791	0	53	0.0	-69.11	374.95	7.61	-61.50
CC(NC(=O)N1CCC(C(=O)[O-])C(C)C1)C(C)(C)C[NH+](C)C	REAL300013727792	0	53	0.0	-73.40	363.84	8.78	-64.62
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C(C)(C)C[NH+](C)C	REAL300013727793	0	53	0.0	-76.23	381.53	7.56	-68.67
CC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)C(C)(C)C[NH+](C)C	REAL300013727794	0	53	0.0	-76.64	360.33	8.23	-68.41
CC(C)C[C@H](CNC(=O)NC(C)C(C)(C)C[NH+](C)C)CC(=O)[O-]	REAL300013727795	0	58	0.0	-74.54	403.46	8.00	-66.54
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C(C)(C)C[NH+](C)C	REAL300013727796	0	50	0.0	-73.50	364.86	7.71	-65.79
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C(C)(C)C[NH+](C)C)C1	REAL300013727797	0	54	0.0	-78.96	385.45	6.67	-72.29
CC(NC(=O)NC1CCN(CC(=O)[O-])CC1)C(C)(C)C[NH+](C)C	REAL300013727798	0	55	0.0	-74.55	388.49	5.15	-69.40
CC(NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)C(C)(C)C[NH+](C)C	REAL300013727799	0	60	0.0	-80.64	429.75	9.49	-71.15
CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(C)(C)C[NH+](C)C	REAL300013727800	0	50	0.0	-77.63	371.25	7.60	-70.03
COC(=O)C1CC2(C1)CN(C(=O)NC(C)C(C)(C)C[NH+](C)C)CC2C(=O)[O-]	REAL300013727801	0	60	0.0	-65.52	429.55	9.34	-56.18
CC(NC(=O)N1CCCCC1CCC(=O)[O-])C(C)(C)C[NH+](C)C	REAL300013727802	0	56	0.0	-81.82	385.13	9.45	-72.37
CC(NC(=O)NCCCCCCCC(=O)[O-])C(C)(C)C[NH+](C)C	REAL300013727803	0	58	0.0	-77.56	421.69	8.61	-68.95
CC(NC(=O)NCCCCCCC(=O)[O-])C(C)(C)C[NH+](C)C	REAL300013727804	0	55	0.0	-78.23	401.00	7.90	-70.33
CC(NC(=O)N1CCCC(C)(C(=O)[O-])C1)C(C)(C)C[NH+](C)C	REAL300013727805	0	53	0.0	-80.39	366.02	8.79	-71.60
COCC1(C(=O)[O-])CCCN(C(=O)NC(C)C(C)(C)C[NH+](C)C)C1	REAL300013727806	0	57	0.0	-83.75	397.59	8.56	-75.19
COCCN(CCC(=O)[O-])C(=O)NC(C)C(C)(C)C[NH+](C)C	REAL300013727807	0	53	0.0	-63.68	385.81	7.30	-56.38
CC(NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C(C)(C)C[NH+](C)C	REAL300013727808	0	59	0.0	-80.13	425.75	9.64	-70.49
CC(NC(=O)N1CCCC(CCC(=O)[O-])C1)C(C)(C)C[NH+](C)C	REAL300013727809	0	56	0.0	-79.68	391.32	9.44	-70.24
CC(NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C(C)(C)C[NH+](C)C	REAL300013727810	0	54	0.0	-81.47	384.33	10.84	-70.63
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC(C)C(C)(C)C[NH+](C)C)CCO1	REAL300013727811	0	61	0.0	-77.07	438.94	8.53	-68.54
CC(NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(C)(C)C[NH+](C)C	REAL300013727812	0	51	0.0	-74.03	360.88	6.61	-67.42
CC(NC(=O)N1CC(C(=O)[O-])CCC1C)C(C)(C)C[NH+](C)C	REAL300013727813	0	53	0.0	-63.25	366.37	8.67	-54.58
CC(NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C(C)(C)C[NH+](C)C	REAL300013727814	0	57	0.0	-67.32	412.40	10.61	-56.71
CC(NC(=O)N1CCCC(O)(C(=O)[O-])C1)C(C)(C)C[NH+](C)C	REAL300013727815	0	51	0.0	-77.60	361.32	5.63	-71.97
CC(NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C(C)(C)C[NH+](C)C	REAL300013727816	0	54	0.0	-74.39	394.82	8.81	-65.58
CC(NC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C(C)(C)C[NH+](C)C	REAL300013727817	0	57	0.0	-89.62	402.27	7.86	-81.76
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C(C)(C)C[NH+](C)C)CC1	REAL300013727818	0	57	0.0	-80.40	391.53	8.08	-72.32
CC(NC(=O)NCC1(CC(=O)[O-])CCCCC1)C(C)(C)C[NH+](C)C	REAL300013727819	0	59	0.0	-68.87	396.07	8.18	-60.69
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C(C)(C)C[NH+](C)C	REAL300013727820	0	53	0.0	-71.07	372.64	7.79	-63.28
CC(NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C(C)(C)C[NH+](C)C	REAL300013727821	0	56	0.0	-77.37	397.05	8.10	-69.27
CC(NC(=O)N1CCC(CC(=O)[O-])CC1)C(C)(C)C[NH+](C)C	REAL300013727822	0	53	0.0	-77.82	365.30	8.57	-69.25
CC(NC(=O)N1CCC(OCC(=O)[O-])CC1)C(C)(C)C[NH+](C)C	REAL300013727823	0	54	0.0	-76.42	385.21	8.08	-68.34
CC(NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C(C)(C)C[NH+](C)C	REAL300013727824	0	53	0.0	-72.86	376.75	7.35	-65.51
CC(NC(=O)NC1CCCC(C(=O)[O-])C1)C(C)(C)C[NH+](C)C	REAL300013727825	0	53	0.0	-73.87	376.36	7.32	-66.55
CC(NC(=O)NCC1(C(=O)[O-])CCCOC1)C(C)(C)C[NH+](C)C	REAL300013727826	0	54	0.0	-70.36	382.19	6.22	-64.14
CC(NC(=O)NCC1(C(=O)[O-])CCOC1)C(C)(C)C[NH+](C)C	REAL300013727827	0	51	0.0	-68.14	363.62	4.87	-63.27
CC(NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C(C)(C)C[NH+](C)C	REAL300013727828	0	62	0.0	-76.89	449.53	10.04	-66.85
CC(NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C(C)(C)C[NH+](C)C	REAL300013727829	0	54	0.0	-68.87	378.92	8.81	-60.06
CC(NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C(C)(C)C[NH+](C)C	REAL300013727830	0	50	0.0	-70.62	367.67	7.83	-62.79
CC(NC(=O)N1CCOC(C)(C(=O)[O-])C1)C(C)(C)C[NH+](C)C	REAL300013727831	0	51	0.0	-81.00	357.38	7.19	-73.81
COC1CC(C(=O)[O-])CN(C(=O)NC(C)C(C)(C)C[NH+](C)C)C1	REAL300013727832	0	54	0.0	-66.39	380.47	7.04	-59.35
CC(NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C(C)(C)C[NH+](C)C	REAL300013727833	0	59	0.0	-86.06	426.11	6.48	-79.58
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CSCCS2)CC1	REAL300013727862	1	44	0.0	-35.92	356.85	6.26	-29.66
CCCCCC(C)(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013727926	1	56	0.0	-34.91	408.94	8.28	-26.63
CC1=CC(F)=CC=C1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013727990	1	48	0.0	-43.23	376.38	7.58	-35.65
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CN(C3=CC=CC=C3)N=N2)CC1	REAL300013728062	1	48	0.0	-41.42	386.05	6.08	-35.34
CC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(OCC2CC2)=C1	REAL300013728138	1	56	0.0	-36.53	436.54	8.78	-27.75
CCC1=NOC(CC)=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013728206	1	50	0.0	-37.91	393.24	6.56	-31.35
CC(C)CC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCC1	REAL300013728274	1	57	0.0	-34.73	402.80	8.51	-26.22
CSCC1=CC(F)=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013728370	1	49	0.0	-37.65	400.73	8.32	-29.33
CN1N=CN=C1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013728423	1	44	0.0	-43.89	349.92	5.23	-38.66
CN1C=NC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013728459	1	44	0.0	-47.63	351.89	5.28	-42.35
CCOCCOC1=CC(C)=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013728515	1	59	0.0	-38.70	460.33	7.43	-31.27
COCCCOC1=CC(C)=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013728632	1	59	0.0	-38.08	460.02	7.07	-31.01
CC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(OC2=CC=CC=C2)=C1	REAL300013728749	1	56	0.0	-37.66	441.88	9.74	-27.92
O=C([O-])C[NH+]1CCC(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)CC1	REAL300013728815	1	54	0.0	-46.60	415.15	6.20	-40.40
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CCC(C(=O)[O-])CC3)C2)=CC(OC)=C1	REAL300013728901	1	57	0.0	-78.70	432.14	8.01	-70.69
COC1=CC(C[N@H+]2CCC(NC(=O)N3CCC(C(=O)[O-])CC3)C2)=CC(OC)=C1	REAL300013728901	1	57	0.0	-77.24	429.53	7.85	-69.39
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CCOC(C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728902	1	55	0.0	-84.41	424.74	6.45	-77.96
COC1=CC(C[N@H+]2CCC(NC(=O)N3CCOC(C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728902	1	55	0.0	-66.74	425.09	6.49	-60.25
COC1=CC(C[N@@H+]2CCC(NC(=O)NCCCCC(=O)[O-])C2)=CC(OC)=C1	REAL300013728903	1	56	0.0	-81.18	439.46	6.31	-74.87
COC1=CC(C[N@H+]2CCC(NC(=O)NCCCCC(=O)[O-])C2)=CC(OC)=C1	REAL300013728903	1	56	0.0	-81.15	439.57	6.35	-74.80
COC1=CC(C[N@@H+]2CCC(NC(=O)NCCC(=O)[O-])C2)=CC(OC)=C1	REAL300013728904	1	50	0.0	-77.84	396.46	4.74	-73.10
COC1=CC(C[N@H+]2CCC(NC(=O)NCCC(=O)[O-])C2)=CC(OC)=C1	REAL300013728904	1	50	0.0	-77.25	394.53	4.60	-72.65
COC1=CC(C[N@@H+]2CCC(NC(=O)NCCCCCC(=O)[O-])C2)=CC(OC)=C1	REAL300013728905	1	59	0.0	-79.93	460.96	7.10	-72.83
COC1=CC(C[N@H+]2CCC(NC(=O)NCCCCCC(=O)[O-])C2)=CC(OC)=C1	REAL300013728905	1	59	0.0	-79.93	461.07	7.13	-72.80
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NCC(C)(C)C(=O)[O-])C2)=C1	REAL300013728906	1	56	0.0	-81.32	431.90	6.19	-75.13
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NCC(C)(C)C(=O)[O-])C2)=C1	REAL300013728906	1	56	0.0	-80.90	432.01	6.26	-74.64
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N3CCC(C)(C(=O)[O-])C3)C2)=C1	REAL300013728907	1	57	0.0	-79.73	436.39	7.72	-72.01
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N3CCC(C)(C(=O)[O-])C3)C2)=C1	REAL300013728907	1	57	0.0	-81.04	438.92	7.58	-73.46
COC1=CC(C[N@@H+]2CCC(NC(=O)NCCCC(=O)[O-])C2)=CC(OC)=C1	REAL300013728908	1	53	0.0	-75.63	417.96	5.53	-70.10
COC1=CC(C[N@H+]2CCC(NC(=O)NCCCC(=O)[O-])C2)=CC(OC)=C1	REAL300013728908	1	53	0.0	-75.50	418.08	5.57	-69.93
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C2)=C1	REAL300013728909	1	59	0.0	-76.62	451.25	6.42	-70.20
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C2)=C1	REAL300013728909	1	59	0.0	-75.95	449.31	6.28	-69.67
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NCC(C)C(=O)[O-])C2)=C1	REAL300013728910	1	53	0.0	-79.30	415.01	5.50	-73.80
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NCC(C)C(=O)[O-])C2)=C1	REAL300013728910	1	53	0.0	-79.26	415.12	5.53	-73.73
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C2)=C1	REAL300013728911	1	59	0.0	-70.61	453.75	6.68	-63.93
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C2)=C1	REAL300013728911	1	59	0.0	-66.62	448.60	6.82	-59.80
COC1=CC(C[N@@H+]2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728912	1	57	0.0	-75.20	437.88	6.71	-68.49
COC1=CC(C[N@H+]2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728912	1	57	0.0	-75.10	437.69	6.69	-68.41
COC1=CC(C[N@@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CCC3)C2)=CC(OC)=C1	REAL300013728913	1	57	0.0	-66.09	438.71	6.92	-59.17
COC1=CC(C[N@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CCC3)C2)=CC(OC)=C1	REAL300013728913	1	57	0.0	-67.27	439.11	6.91	-60.36
COC1=CC(C[N@@H+]2CCC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728914	1	54	0.0	-75.92	423.87	6.14	-69.78
COC1=CC(C[N@H+]2CCC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728914	1	54	0.0	-76.85	424.52	6.14	-70.71
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728915	1	57	0.0	-63.89	432.56	7.99	-55.90
COC1=CC(C[N@H+]2CCC(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728915	1	57	0.0	-62.71	430.66	7.87	-54.84
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CCC[C@H](C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728916	1	57	0.0	-83.67	431.11	7.91	-75.76
COC1=CC(C[N@H+]2CCC(NC(=O)N3CCC[C@H](C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728916	1	57	0.0	-83.95	432.99	8.04	-75.91
COC1=CC(C[N@@H+]2CCC(NC(=O)NC3CC(C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728917	1	54	0.0	-75.54	421.34	5.96	-69.58
COC1=CC(C[N@H+]2CCC(NC(=O)NC3CC(C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728917	1	54	0.0	-76.33	423.90	6.13	-70.20
COC1=CC(C[N@@H+]2CCC(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728918	1	54	0.0	-78.49	423.73	6.17	-72.32
COC1=CC(C[N@H+]2CCC(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728918	1	54	0.0	-77.81	421.34	6.00	-71.81
CCC(CNC(=O)NC1CC[N@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300013728919	1	56	0.0	-68.92	437.07	6.23	-62.69
CCC(CNC(=O)NC1CC[N@@H+](CC2=CC(OC)=CC(OC)=C2)C1)C(=O)[O-]	REAL300013728919	1	56	0.0	-69.05	436.96	6.20	-62.85
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)N(C)CCCC(=O)[O-])C2)=C1	REAL300013728920	1	56	0.0	-79.99	434.13	7.81	-72.18
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)N(C)CCCC(=O)[O-])C2)=C1	REAL300013728920	1	56	0.0	-79.75	435.71	7.95	-71.80
COC1=CC(C[N@@H+]2CCC(NC(=O)NC34CC(C(=O)[O-])(C3)C4)C2)=CC(OC)=C1	REAL300013728921	1	55	0.0	-83.72	433.17	6.32	-77.40
COC1=CC(C[N@H+]2CCC(NC(=O)NC34CC(C(=O)[O-])(C3)C4)C2)=CC(OC)=C1	REAL300013728921	1	55	0.0	-83.86	433.35	6.35	-77.51
COC1=CC(C[N@@H+]2CCC(NC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C2)=CC(OC)=C1	REAL300013728922	1	55	0.0	-76.66	434.95	6.84	-69.82
COC1=CC(C[N@H+]2CCC(NC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C2)=CC(OC)=C1	REAL300013728922	1	55	0.0	-76.84	434.96	6.81	-70.03
COC1=CC(C[N@@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CC3)C2)=CC(OC)=C1	REAL300013728923	1	54	0.0	-65.24	423.43	6.44	-58.80
COC1=CC(C[N@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CC3)C2)=CC(OC)=C1	REAL300013728923	1	54	0.0	-64.25	421.69	6.34	-57.91
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CC(C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728924	1	51	0.0	-71.16	401.56	6.17	-64.99
COC1=CC(C[N@H+]2CCC(NC(=O)N3CC(C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728924	1	51	0.0	-71.07	404.78	6.34	-64.73
COC1=CC(C[N@@H+]2CCC(NC(=O)N3CCC(C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728925	1	54	0.0	-79.46	418.74	7.04	-72.42
COC1=CC(C[N@H+]2CCC(NC(=O)N3CCC(C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013728925	1	54	0.0	-79.63	419.43	7.13	-72.50
COC1=CC(C[N@@H+]2CCC(NC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C2)=CC(OC)=C1	REAL300013728926	1	55	0.0	-82.82	433.69	6.80	-76.02
COC1=CC(C[N@H+]2CCC(NC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C2)=CC(OC)=C1	REAL300013728926	1	55	0.0	-83.17	434.24	6.82	-76.35
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NC(C)CCC(=O)[O-])C2)=C1	REAL300013728927	1	56	0.0	-72.84	437.37	6.49	-66.35
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NC(C)CCC(=O)[O-])C2)=C1	REAL300013728927	1	56	0.0	-73.08	435.78	6.40	-66.68
CCC1(CC)CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013728983	1	57	0.0	-35.27	397.65	7.81	-27.46
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)N=C1	REAL300013729050	1	44	0.0	-38.19	362.45	5.74	-32.45
CCCOC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=C1	REAL300013729180	1	55	0.0	-36.48	423.13	8.08	-28.40
COC1=CC=CC(Cl)=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013729263	1	46	0.0	-41.24	375.35	6.03	-35.21
CC(C)CCOC1=CC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013729338	1	58	0.0	-36.31	444.00	8.64	-27.67
CS(=O)(=O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013729411	1	45	0.0	-43.78	386.23	2.94	-40.84
CC1=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=CC=C1[N+](=O)[O-]	REAL300013729482	1	47	0.0	-41.21	373.10	7.56	-33.65
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C3OCCC3=C2)CC1	REAL300013729556	1	50	0.0	-44.38	390.54	6.89	-37.49
CC(C)N1N=CC2=C1CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)CC2	REAL300013729632	1	55	0.0	-40.81	417.80	7.29	-33.52
O=C([O-])C[NH+]1CCC(NC(=O)NC2CC(=O)N(C3=CC=CC=C3)C2)CC1	REAL300013729707	1	50	0.0	-44.42	388.02	6.74	-37.68
CC1=C([C@@H](C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)OC2=CC=CC=C21	REAL300013729782	1	51	0.0	-37.07	400.85	8.22	-28.85
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCC3(CCCCC3)O2)CC1	REAL300013729915	1	56	0.0	-35.78	411.63	7.00	-28.78
CN1C=C([C@@H]2NC(=O)CC[C@H]2NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013729990	1	53	0.0	-47.24	415.42	3.60	-43.64
CC1=C([C@H](C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)OC2=CC=CC=C21	REAL300013730062	1	51	0.0	-37.14	400.85	8.22	-28.92
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013730105	0	58	0.0	-63.78	423.98	11.30	-52.48
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013730106	0	58	0.0	-72.00	447.25	11.86	-60.14
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013730107	0	56	0.0	-59.48	418.21	9.79	-49.69
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013730108	0	61	0.0	-64.88	444.15	11.95	-52.93
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCCCC(=O)[O-])CC1	REAL300013730109	0	57	0.0	-69.14	430.98	10.54	-58.60
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013730110	0	58	0.0	-74.48	447.28	11.86	-62.62
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCC(=O)[O-])CC1	REAL300013730111	0	51	0.0	-64.28	387.99	8.96	-55.32
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013730112	0	60	0.0	-68.39	452.48	11.32	-57.07
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013730113	0	57	0.0	-68.22	423.51	10.39	-57.83
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013730114	0	58	0.0	-66.05	424.19	11.64	-54.41
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013730115	0	61	0.0	-54.52	437.18	13.06	-41.46
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013730116	0	61	0.0	-69.83	436.77	12.64	-57.19
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])CC1	REAL300013730117	0	54	0.0	-63.13	409.48	9.76	-53.37
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013730118	0	61	0.0	-68.69	438.73	12.76	-55.93
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013730119	0	60	0.0	-64.40	442.19	10.63	-53.77
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013730120	0	63	0.0	-61.29	455.13	11.40	-49.89
CC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013730121	0	54	0.0	-66.56	405.72	9.67	-56.89
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013730122	0	60	0.0	-49.64	437.14	10.88	-38.76
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013730123	0	58	0.0	-62.18	433.22	10.29	-51.89
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013730124	0	61	0.0	-60.62	448.00	11.78	-48.84
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013730125	0	61	0.0	-62.77	437.20	12.04	-50.73
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013730126	0	58	0.0	-57.72	430.89	10.96	-46.76
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013730127	0	61	0.0	-61.91	455.66	11.81	-50.10
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013730128	0	61	0.0	-69.83	436.77	12.64	-57.19
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013730129	0	58	0.0	-66.94	440.89	11.98	-54.96
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013730130	0	55	0.0	-62.18	414.60	10.33	-51.85
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013730131	0	58	0.0	-56.60	426.45	11.53	-45.07
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013730132	0	58	0.0	-70.50	426.31	11.51	-58.99
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013730133	0	55	0.0	-65.29	414.95	10.32	-54.97
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013730134	0	55	0.0	-64.91	414.77	10.38	-54.53
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013730135	0	58	0.0	-74.48	447.28	11.86	-62.62
CCC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013730136	0	57	0.0	-49.68	420.60	10.39	-39.29
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013730137	0	63	0.0	-71.58	473.98	12.10	-59.48
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013730138	0	57	0.0	-62.72	425.78	12.10	-50.62
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013730139	0	61	0.0	-70.21	438.20	13.10	-57.11
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300013730140	0	61	0.0	-54.14	457.69	11.46	-42.68
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013730141	0	61	0.0	-52.89	441.36	11.92	-40.97
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013730142	0	59	0.0	-70.20	434.20	8.86	-61.34
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013730143	0	56	0.0	-70.99	424.75	10.56	-60.43
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013730144	0	61	0.0	-64.87	444.16	11.95	-52.92
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013730145	0	61	0.0	-71.44	442.49	11.96	-59.48
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013730146	0	61	0.0	-67.40	449.38	11.55	-55.85
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013730147	0	61	0.0	-61.60	445.46	11.97	-49.63
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013730148	0	59	0.0	-51.94	435.95	8.92	-43.02
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013730149	0	56	0.0	-66.47	426.44	11.05	-55.42
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013730150	0	55	0.0	-55.62	415.14	10.71	-44.91
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013730151	0	62	0.0	-59.68	450.46	12.82	-46.86
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013730152	0	59	0.0	-71.56	431.59	11.43	-60.13
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013730153	0	52	0.0	-58.78	395.12	10.43	-48.35
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013730154	0	55	0.0	-66.48	408.33	11.13	-55.35
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013730155	0	56	0.0	-69.85	427.67	10.34	-59.51
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1	REAL300013730156	0	57	0.0	-63.89	429.25	10.76	-53.13
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2=CC=CC(Cl)=C2)CC1	REAL300013730187	1	48	0.0	-37.44	392.89	8.34	-29.10
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300013730260	1	49	0.0	-36.73	396.66	6.91	-29.82
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NN=C3COCCN23)CC1	REAL300013730323	1	46	0.0	-43.55	362.18	3.91	-39.64
CC1=CC=C(CN2CCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=O)C=C1	REAL300013730394	1	56	0.0	-45.32	439.81	8.06	-37.26
CC(C)(CNC(=O)N1CCC(C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013730429	0	51	0.0	-71.89	358.62	8.41	-63.48
CC(C)(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C[NH+]1CCCC1	REAL300013730430	0	51	0.0	-75.40	383.37	8.12	-67.28
CC(C)(CNC(=O)N1CCOC(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013730431	0	49	0.0	-63.98	352.10	6.94	-57.04
CC(C)(CNC(=O)NC1CCC(C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013730432	0	54	0.0	-67.66	380.26	8.20	-59.46
CC(C)(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C[NH+]1CCCC1	REAL300013730433	0	51	0.0	-75.40	382.78	8.04	-67.36
CC(C)(CNC(=O)NCCCCCC(=O)[O-])C[NH+]1CCCC1	REAL300013730434	0	53	0.0	-73.27	388.01	7.51	-65.76
CC(C)(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013730435	0	61	0.0	-72.40	431.34	11.58	-60.82
CC(C)(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013730436	0	51	0.0	-76.75	363.59	8.11	-68.64
CC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C1	REAL300013730437	0	54	0.0	-77.24	380.51	9.02	-68.22
CC(C)(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013730438	0	54	0.0	-74.11	372.74	8.77	-65.34
CC1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1C(=O)[O-]	REAL300013730439	0	54	0.0	-76.46	375.50	8.92	-67.54
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C[NH+]1CCCC1	REAL300013730440	0	55	0.0	-65.01	385.10	6.10	-58.91
CC(C)(CNC(=O)NCCC(C)(C)C(=O)[O-])C[NH+]1CCCC1	REAL300013730441	0	53	0.0	-70.46	378.30	6.83	-63.63
CCC(CC)(CNC(=O)NCC(C)(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300013730442	0	56	0.0	-63.28	386.62	7.93	-55.35
CC(C)C(CNC(=O)NCC(C)(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300013730443	0	53	0.0	-63.59	372.92	7.19	-56.40
CC(NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013730444	0	60	0.0	-76.31	420.39	9.15	-67.16
CC(C)(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCC1	REAL300013730445	0	57	0.0	-65.15	409.97	9.47	-55.68
CC(C)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013730446	0	51	0.0	-67.18	367.50	7.29	-59.89
CC(C)(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013730447	0	57	0.0	-73.15	399.47	9.90	-63.25
CC(C)(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013730448	0	53	0.0	-72.03	376.79	6.76	-65.27
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCCC1)C[NH+]1CCCC1	REAL300013730449	0	54	0.0	-65.07	383.47	8.00	-57.07
CC1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CCC1C(=O)[O-]	REAL300013730450	0	54	0.0	-70.37	372.31	9.21	-61.16
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCC1)C[NH+]1CCCC1	REAL300013730451	0	51	0.0	-63.41	365.49	7.30	-56.11
CC(C)(CNC(=O)NCC(CC(=O)[O-])C1CC1)C[NH+]1CCCC1	REAL300013730452	0	54	0.0	-73.86	390.40	7.93	-65.93
CC(C)(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013730453	0	54	0.0	-74.11	372.74	8.77	-65.34
CC(C)C[C@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)CC(=O)[O-]	REAL300013730454	0	59	0.0	-67.37	416.49	8.52	-58.85
CC(C)(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C[NH+]1CCCC1	REAL300013730455	0	51	0.0	-70.65	376.99	8.22	-62.43
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C1	REAL300013730456	0	55	0.0	-76.42	396.71	7.12	-69.30
CC(C)(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013730457	0	56	0.0	-71.96	398.46	5.60	-66.36
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC(C)(C)C[NH+]3CCCC3)C2)C=N1	REAL300013730458	0	61	0.0	-79.75	442.34	9.74	-70.01
CC(C)(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013730459	0	51	0.0	-60.51	358.18	8.39	-52.12
CC(C)(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013730460	0	51	0.0	-62.19	360.65	8.49	-53.70
CC(C)(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C[NH+]1CCCC1	REAL300013730461	0	51	0.0	-75.40	382.78	8.04	-67.36
COC(=O)C1CC2(C1)CN(C(=O)NCC(C)(C)C[NH+]1CCCC1)CC2C(=O)[O-]	REAL300013730462	0	61	0.0	-62.87	438.75	9.81	-53.06
CC(C)(CNC(=O)N1CCCCC1CCC(=O)[O-])C[NH+]1CCCC1	REAL300013730463	0	57	0.0	-78.94	393.70	9.85	-69.09
CC(C)(CNC(=O)NCCCCCCCC(=O)[O-])C[NH+]1CCCC1	REAL300013730464	0	59	0.0	-75.39	431.00	9.07	-66.32
CC(C)(CNC(=O)NCCCCCCC(=O)[O-])C[NH+]1CCCC1	REAL300013730465	0	56	0.0	-76.09	409.50	8.29	-67.80
CC(C)(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013730466	0	54	0.0	-77.77	374.94	9.25	-68.52
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C1	REAL300013730467	0	58	0.0	-80.72	406.47	9.01	-71.71
COCCN(CCC(=O)[O-])C(=O)NCC(C)(C)C[NH+]1CCCC1	REAL300013730468	0	54	0.0	-60.22	394.32	7.70	-52.52
CC(C)(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C[NH+]1CCCC1	REAL300013730469	0	57	0.0	-76.79	400.14	9.95	-66.84
CC(C)(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013730470	0	55	0.0	-78.91	392.69	11.25	-67.66
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CCO1	REAL300013730471	0	62	0.0	-74.60	448.43	8.79	-65.81
CC(C)(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013730472	0	52	0.0	-67.33	372.49	7.21	-60.12
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C)(C)C[NH+]1CCCC1	REAL300013730473	0	54	0.0	-60.82	374.62	9.04	-51.78
CC(C)(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013730474	0	58	0.0	-65.06	421.54	11.07	-53.99
CC(C)(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013730475	0	52	0.0	-74.49	369.69	6.05	-68.44
CC(C)(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C[NH+]1CCCC1	REAL300013730476	0	55	0.0	-73.59	405.45	9.28	-64.31
CC(C)(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C[NH+]1CCCC1	REAL300013730477	0	58	0.0	-83.72	411.07	8.27	-75.45
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1	REAL300013730478	0	58	0.0	-77.03	404.90	7.92	-69.11
CC(C)(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C[NH+]1CCCC1	REAL300013730479	0	49	0.0	-76.34	360.22	6.75	-69.59
CC(C)(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C[NH+]1CCCC1	REAL300013730480	0	60	0.0	-66.96	406.82	8.79	-58.17
CC(C)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013730481	0	54	0.0	-67.42	380.24	8.20	-59.22
CC(C)(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013730482	0	57	0.0	-74.36	404.41	8.48	-65.88
CC(C)(CNC(=O)N1CCC(CC(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013730483	0	54	0.0	-67.30	377.16	9.12	-58.18
CC(C)(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C[NH+]1CCCC1	REAL300013730484	0	55	0.0	-75.40	393.69	8.50	-66.90
CC(C)(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013730485	0	54	0.0	-71.19	383.90	7.79	-63.40
CC(C)(CNC(=O)NC1CCCC(C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013730486	0	54	0.0	-68.61	381.56	8.23	-60.38
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C[NH+]1CCCC1	REAL300013730487	0	55	0.0	-68.06	390.82	6.59	-61.47
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCOC1)C[NH+]1CCCC1	REAL300013730488	0	52	0.0	-64.71	372.15	5.28	-59.43
CC(C)(CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C[NH+]1CCCC1	REAL300013730489	0	63	0.0	-74.90	457.40	10.42	-64.48
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CC1(C(=O)[O-])CCN(C(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013731290	1	53	0.0	-71.96	397.35	9.75	-62.21
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CC1(C(=O)[O-])CCN(C(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300013731292	1	56	0.0	-76.43	413.71	11.21	-65.22
CC1(C(=O)[O-])CCN(C(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300013731292	1	56	0.0	-80.49	411.78	10.34	-70.15
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CC1CCN(C(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300013731294	1	56	0.0	-60.03	419.85	11.42	-48.61
CC1CCN(C(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300013731294	1	56	0.0	-64.28	418.90	10.62	-53.66
CC(C)(CCNC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013731295	1	55	0.0	-71.54	419.79	9.30	-62.24
CC(C)(CCNC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013731295	1	55	0.0	-74.69	417.45	8.42	-66.27
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CC(CNC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013731297	1	49	0.0	-73.14	383.44	8.37	-64.77
CC(CNC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013731297	1	49	0.0	-73.03	382.63	8.35	-64.68
CC(C)C(CNC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013731298	1	55	0.0	-60.17	417.03	9.67	-50.50
CC(C)C(CNC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013731298	1	55	0.0	-68.08	415.18	8.84	-59.24
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CC1CN(C(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300013731301	1	56	0.0	-73.10	408.95	10.50	-62.60
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CC1(C(=O)[O-])CCN(C(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300013731304	1	56	0.0	-76.43	413.71	11.21	-65.22
CC1(C(=O)[O-])CCN(C(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300013731304	1	56	0.0	-80.49	411.78	10.34	-70.15
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C[NH+](C)C1(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CCCCC1	REAL300013731625	0	60	0.0	-64.45	392.45	9.07	-55.38
C[NH+](C)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CCCCC1	REAL300013731626	0	54	0.0	-61.72	369.44	7.65	-54.07
C[NH+](C)C1(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CCCCC1	REAL300013731627	0	57	0.0	-75.06	394.94	7.99	-67.07
C[NH+](C)C1(CNC(=O)N2CCC(CC(=O)[O-])CC2)CCCCC1	REAL300013731628	0	54	0.0	-74.52	366.62	8.64	-65.88
C[NH+](C)C1(CNC(=O)N2CCC(OCC(=O)[O-])CC2)CCCCC1	REAL300013731629	0	55	0.0	-73.04	383.22	8.06	-64.98
C[NH+](C)C1(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CCCCC1	REAL300013731630	0	54	0.0	-68.36	374.67	7.25	-61.11
C[NH+](C)C1(CNC(=O)NC2CCCC(C(=O)[O-])C2)CCCCC1	REAL300013731631	0	54	0.0	-71.59	371.61	8.02	-63.57
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCCOC2)CCCCC1	REAL300013731632	0	55	0.0	-60.23	376.48	6.84	-53.39
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCOC2)CCCCC1	REAL300013731633	0	52	0.0	-57.01	361.59	4.80	-52.21
C[NH+](C)C1(CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)CCCCC1	REAL300013731634	0	63	0.0	-75.43	444.18	10.71	-64.72
C[NH+](C)C1(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCCC1	REAL300013731635	0	49	0.0	-69.58	348.09	7.50	-62.08
C[NH+](C)C1(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CCCCC1	REAL300013731636	0	55	0.0	-62.63	378.04	8.77	-53.86
C[NH+](C)C1(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CCCCC1	REAL300013731637	0	51	0.0	-63.31	365.12	8.64	-54.67
C[NH+](C)C1(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CCCCC1	REAL300013731638	0	52	0.0	-78.63	356.81	7.18	-71.45
COC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+](C)C)CCCCC2)C1	REAL300013731639	0	55	0.0	-54.71	381.74	6.96	-47.75
C[NH+](C)C1(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCCC1	REAL300013731640	0	49	0.0	-76.02	347.10	7.52	-68.50
COC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013731641	0	56	0.0	-69.80	417.09	9.31	-60.49
COC1=CC=C(C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)[NH+]2CCCC2)C=C1	REAL300013731642	0	56	0.0	-78.11	441.35	8.96	-69.15
COC1=CC=C(C(CNC(=O)N2CCOC(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731643	0	54	0.0	-64.60	410.75	7.79	-56.81
COC1=CC=C(C(CNC(=O)NC2CCC(C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013731644	0	59	0.0	-71.11	439.55	9.07	-62.04
COC1=CC=C(C(CNC(=O)NCCCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013731645	0	55	0.0	-75.46	423.89	7.54	-67.92
COC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+]2CCCC2)C=C1	REAL300013731646	0	56	0.0	-78.92	440.16	8.85	-70.07
COC1=CC=C(C(CNC(=O)NCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013731647	0	49	0.0	-71.56	380.90	5.96	-65.60
COC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013731648	0	58	0.0	-74.94	445.39	8.32	-66.62
COC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013731649	0	55	0.0	-74.64	416.33	7.42	-67.22
COC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731650	0	56	0.0	-73.67	421.48	8.97	-64.70
COC1=CC=C(C(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731651	0	59	0.0	-61.71	435.22	10.22	-51.49
COC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013731652	0	59	0.0	-75.24	430.68	9.61	-65.63
COC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013731653	0	52	0.0	-70.68	402.40	6.76	-63.92
COC1=CC=C(C(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731654	0	59	0.0	-75.35	433.23	9.78	-65.57
COC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013731655	0	58	0.0	-72.02	435.10	7.62	-64.40
CCC(CC)(CNC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013731656	0	61	0.0	-63.81	447.99	8.44	-55.37
COC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013731657	0	52	0.0	-72.67	399.44	6.72	-65.95
COC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300013731658	0	58	0.0	-64.66	438.19	7.92	-56.74
COC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731659	0	56	0.0	-64.99	421.65	8.77	-56.22
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)C=C1	REAL300013731660	0	59	0.0	-62.25	442.04	8.89	-53.36
COC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)[NH+]2CCCC2)C=C1	REAL300013731661	0	59	0.0	-74.23	431.08	10.07	-64.16
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCC2)[NH+]2CCCC2)C=C1	REAL300013731662	0	56	0.0	-61.45	424.97	8.05	-53.40
COC1=CC=C(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300013731663	0	59	0.0	-73.33	448.83	8.81	-64.52
COC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013731664	0	59	0.0	-75.24	430.68	9.61	-65.63
COC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013731665	0	56	0.0	-65.56	434.97	9.05	-56.51
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731666	0	53	0.0	-69.76	403.09	7.56	-62.20
COC1=CC=C(C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731667	0	56	0.0	-63.32	417.35	9.30	-54.02
COC1=CC=C(C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731668	0	56	0.0	-56.38	415.03	10.11	-46.27
COC1=CC=C(C(CNC(=O)NC2CC(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731669	0	53	0.0	-71.75	408.67	7.41	-64.34
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731670	0	53	0.0	-72.72	404.47	8.14	-64.58
COC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+]2CCCC2)C=C1	REAL300013731671	0	56	0.0	-78.92	440.16	8.85	-70.07
CCC(CNC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013731672	0	55	0.0	-66.92	421.40	7.42	-59.50
COC1=CC=C(C(CNC(=O)NCCCCCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013731673	0	61	0.0	-77.41	466.89	9.10	-68.31
COC1=CC=C(C(CNC(=O)N(C)CCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013731674	0	55	0.0	-75.30	421.14	9.17	-66.13
COC1=CC=C(C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731675	0	59	0.0	-78.34	433.28	10.11	-68.23
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1	REAL300013731676	0	59	0.0	-61.28	452.83	8.53	-52.75
COC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])CCC2C)[NH+]2CCCC2)C=C1	REAL300013731677	0	59	0.0	-63.64	433.08	9.93	-53.71
COC1=CC=C(C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731678	0	57	0.0	-63.12	428.02	6.92	-56.20
COC1=CC=C(C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)[NH+]2CCCC2)C=C1	REAL300013731679	0	54	0.0	-77.36	419.09	7.65	-69.71
COC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013731680	0	59	0.0	-68.09	439.85	9.08	-59.01
COC1=CC=C(C(CNC(=O)N2CCC(CC(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013731681	0	59	0.0	-74.10	435.62	10.01	-64.09
COC1=CC=C(C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731682	0	59	0.0	-73.04	443.96	8.63	-64.41
COC1=CC=C(C(CNC(=O)NC2CCCC(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731683	0	59	0.0	-71.98	443.38	8.56	-63.42
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOC2)[NH+]2CCCC2)C=C1	REAL300013731684	0	57	0.0	-65.41	430.74	6.17	-59.24
COC1=CC=C(C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+]2CCCC2)C=C1	REAL300013731685	0	54	0.0	-67.61	417.17	8.79	-58.82
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CC2)[NH+]2CCCC2)C=C1	REAL300013731686	0	53	0.0	-59.87	408.87	7.67	-52.20
COC1=CC=C(C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731687	0	57	0.0	-77.19	425.70	8.59	-68.60
COC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731688	0	50	0.0	-67.07	390.34	7.63	-59.44
COC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013731689	0	53	0.0	-72.62	404.61	8.42	-64.20
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+]2CCCC2)C=C1	REAL300013731690	0	54	0.0	-77.26	419.48	8.14	-69.12
COC1=CC=C(C(CNC(=O)NC(C)CCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013731691	0	55	0.0	-68.25	423.27	7.80	-60.45
O=C([O-])C1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1	REAL300013731692	0	58	0.0	-69.83	388.25	10.65	-59.18
O=C([O-])C1=CC=C(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C=C1	REAL300013731693	0	58	0.0	-72.63	411.01	10.14	-62.49
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1	REAL300013731694	0	56	0.0	-74.83	383.33	8.20	-66.63
O=C([O-])C1CCC(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1	REAL300013731695	0	61	0.0	-75.14	413.64	9.83	-65.31
O=C([O-])CCCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300013731696	0	57	0.0	-71.99	394.74	8.82	-63.17
O=C([O-])C1=CC(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)=CC=C1	REAL300013731697	0	58	0.0	-73.54	411.01	10.13	-63.41
O=C([O-])CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300013731698	0	51	0.0	-68.37	351.74	7.24	-61.13
O=C([O-])CCCCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300013731699	0	60	0.0	-70.58	416.24	9.60	-60.98
CC(C)(CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300013731700	0	57	0.0	-72.25	387.18	8.70	-63.55
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300013731701	0	58	0.0	-68.81	396.23	9.47	-59.34
CC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300013731702	0	61	0.0	-50.49	406.79	10.60	-39.89
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1	REAL300013731703	0	61	0.0	-71.83	404.40	10.04	-61.79
O=C([O-])CCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300013731704	0	54	0.0	-65.70	373.24	8.04	-57.66
CC1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1C(=O)[O-]	REAL300013731705	0	61	0.0	-76.21	410.11	10.32	-65.89
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCOCC1	REAL300013731706	0	62	0.0	-55.89	411.70	8.24	-47.65
CC(C)(CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300013731707	0	60	0.0	-66.78	405.94	8.92	-57.86
CCC(CC)(CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300013731708	0	63	0.0	-58.56	414.99	9.99	-48.57
CC(CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300013731709	0	54	0.0	-69.84	370.29	8.00	-61.84
CC(C)C(CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300013731710	0	60	0.0	-55.84	403.77	9.30	-46.54
CC(NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013731711	0	67	0.0	-76.15	452.28	10.33	-65.82
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300013731712	0	58	0.0	-61.36	398.05	8.55	-52.81
O=C([O-])CCC1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1	REAL300013731713	0	64	0.0	-70.64	427.56	12.04	-58.60
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1([NH+]3CCCCC3)CCCCC1)C2	REAL300013731714	0	60	0.0	-69.13	404.46	8.75	-60.38
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCCC1	REAL300013731715	0	61	0.0	-59.79	409.93	9.82	-49.97
CC1CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCC1C(=O)[O-]	REAL300013731716	0	61	0.0	-67.13	410.04	10.34	-56.79
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCC1	REAL300013731717	0	58	0.0	-57.68	394.62	9.26	-48.42
O=C([O-])CC(CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CC1	REAL300013731718	0	61	0.0	-68.13	411.36	10.68	-57.45
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1	REAL300013731719	0	61	0.0	-71.83	404.40	10.04	-61.79
CC(C)C[C@H](CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)CC(=O)[O-]	REAL300013731720	0	66	0.0	-62.31	444.50	10.61	-51.70
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300013731721	0	58	0.0	-66.92	404.61	10.27	-56.65
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300013731722	0	62	0.0	-72.36	428.35	8.45	-63.91
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300013731723	0	55	0.0	-66.31	381.73	7.86	-58.45
O=C([O-])CN1CCC(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1	REAL300013731724	0	63	0.0	-69.17	426.11	7.72	-61.45
O=C([O-])[C@@H]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300013731725	0	58	0.0	-53.01	387.02	10.58	-42.43
O=C([O-])[C@H]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300013731726	0	58	0.0	-51.75	391.37	9.81	-41.94
O=C([O-])C1CC(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300013731727	0	55	0.0	-66.96	378.71	8.62	-58.34
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300013731728	0	55	0.0	-69.38	378.25	8.66	-60.72
O=C([O-])C1=CC(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)=CC=C1	REAL300013731729	0	58	0.0	-73.54	411.01	10.13	-63.41
CCC(CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300013731730	0	57	0.0	-60.94	392.24	8.70	-52.24
O=C([O-])CCC1CCCCN1C(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300013731731	0	64	0.0	-77.91	425.15	11.16	-66.75
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COCC1(C(=O)[O-])CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300013731736	0	65	0.0	-78.67	437.35	10.27	-68.40
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COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1	REAL300013731744	0	65	0.0	-72.52	431.18	10.79	-61.73
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COC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300013731760	0	62	0.0	-74.44	423.93	8.80	-65.64
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COC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013731764	0	52	0.0	-74.05	390.44	8.15	-65.90
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COC1=CC=C(C(CNC(=O)N2CCOC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731766	0	50	0.0	-79.36	383.56	6.61	-72.75
COC1=CC=C(C(CNC(=O)NC2CCC(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013731767	0	55	0.0	-70.55	411.28	7.82	-62.73
COC1=CC=C(C(CNC(=O)NCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013731768	0	51	0.0	-77.68	398.00	6.43	-71.25
COC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300013731769	0	52	0.0	-75.71	411.09	8.63	-67.08
COC1=CC=C(C(CNC(=O)NCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013731770	0	45	0.0	-73.83	355.00	4.86	-68.97
COC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013731771	0	54	0.0	-77.11	419.50	7.22	-69.89
COC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013731772	0	51	0.0	-76.89	389.85	6.33	-70.56
COC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731773	0	52	0.0	-81.79	391.40	8.66	-73.13
COC1=CC=C(C(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731774	0	55	0.0	-81.41	408.70	9.60	-71.81
COC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013731775	0	55	0.0	-80.23	404.41	8.48	-71.75
COC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013731776	0	48	0.0	-72.65	376.50	5.65	-67.00
COC1=CC=C(C(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731777	0	55	0.0	-78.21	406.67	8.60	-69.61
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)[NH+](C)C)C=C1	REAL300013731778	0	56	0.0	-64.08	417.72	5.62	-58.46
COC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013731779	0	54	0.0	-73.88	409.20	6.53	-67.35
CCC(CC)(CNC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013731780	0	57	0.0	-68.81	422.09	7.34	-61.47
COC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013731781	0	48	0.0	-75.43	373.55	5.61	-69.82
COC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300013731782	0	54	0.0	-69.39	412.29	6.80	-62.59
COC1=CC=C(C(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)[NH+](C)C)C=C1	REAL300013731783	0	61	0.0	-79.07	449.78	8.25	-70.82
COC1=CC=C(C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300013731784	0	58	0.0	-66.58	445.38	8.98	-57.60
COC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731785	0	52	0.0	-72.42	398.52	6.91	-65.51
COC1=CC=C(C(CNC(=O)N2CCC(CCC(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013731786	0	58	0.0	-77.38	431.24	9.61	-67.77
COC1=CC=C(C(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731787	0	54	0.0	-76.94	408.82	6.30	-70.64
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300013731788	0	55	0.0	-65.59	415.10	7.69	-57.90
COC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)[NH+](C)C)C=C1	REAL300013731789	0	55	0.0	-73.03	403.82	8.87	-64.16
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCC2)[NH+](C)C)C=C1	REAL300013731790	0	52	0.0	-64.84	398.02	6.87	-57.97
COC1=CC=C(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300013731791	0	55	0.0	-76.42	422.42	7.73	-68.69
COC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013731792	0	55	0.0	-80.23	404.41	8.48	-71.75
COC1=CC=C(C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+](C)C)C=C1	REAL300013731793	0	60	0.0	-75.27	443.72	8.08	-67.19
COC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+](C)C)C=C1	REAL300013731794	0	52	0.0	-68.88	408.02	7.84	-61.04
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=C(OC)C=C2)[NH+](C)C)C1	REAL300013731795	0	56	0.0	-76.67	428.67	6.84	-69.83
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731796	0	49	0.0	-72.72	381.62	6.22	-66.50
COC1=CC=C(C(CNC(=O)NC2CCN(CC(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013731797	0	57	0.0	-77.06	430.45	5.33	-71.73
COC1=CC=C(C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731798	0	52	0.0	-64.83	390.49	8.13	-56.70
COC1=CC=C(C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731799	0	52	0.0	-78.57	390.56	8.14	-70.43
COC1=CC=C(C(CNC(=O)NC2CC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731800	0	49	0.0	-74.67	381.72	6.21	-68.46
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731801	0	49	0.0	-74.61	378.26	7.16	-67.45
COC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300013731802	0	52	0.0	-75.71	411.09	8.63	-67.08
CCC(CNC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013731803	0	51	0.0	-66.48	390.02	6.51	-59.97
COC1=CC=C(C(CNC(=O)N2CCCCC2CCC(=O)[O-])[NH+](C)C)C=C1	REAL300013731804	0	58	0.0	-78.62	424.46	9.54	-69.08
COC1=CC=C(C(CNC(=O)NCCCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013731805	0	60	0.0	-79.16	462.49	8.78	-70.38
COC1=CC=C(C(CNC(=O)NCCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013731806	0	57	0.0	-79.69	440.99	8.00	-71.69
COC1=CC=C(C(CNC(=O)N(C)CCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013731807	0	51	0.0	-74.75	394.13	8.04	-66.71
COC1=CC=C(C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731808	0	55	0.0	-79.43	406.03	8.92	-70.51
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=C(OC)C=C2)[NH+](C)C)C1	REAL300013731809	0	59	0.0	-61.52	428.39	8.99	-52.53
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C	REAL300013731810	0	55	0.0	-64.59	425.81	7.40	-57.19
COC1=CC=C(C(CNC(=O)N2CCCC(CCC(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731811	0	58	0.0	-79.09	431.59	9.60	-69.49
COC1=CC=C(C(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731812	0	56	0.0	-75.38	423.79	10.92	-64.46
COC1=CC=C(C(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013731813	0	53	0.0	-72.27	402.65	6.94	-65.33
COC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])CCC2C)[NH+](C)C)C=C1	REAL300013731814	0	55	0.0	-66.99	406.58	8.71	-58.28
COC1=CC=C(C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731815	0	53	0.0	-76.97	400.77	5.72	-71.25
COC1=CC=C(C(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)[NH+](C)C)C=C1	REAL300013731816	0	56	0.0	-77.32	435.10	8.91	-68.41
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=C(OC)C=C2)[NH+](C)C)CC1	REAL300013731817	0	59	0.0	-76.94	434.61	8.32	-68.62
COC1=CC=C(C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)[NH+](C)C)C=C1	REAL300013731818	0	50	0.0	-80.12	392.32	6.45	-73.67
COC1=CC=C(C(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)[NH+](C)C)C=C1	REAL300013731819	0	61	0.0	-72.73	437.75	8.46	-64.27
COC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013731820	0	55	0.0	-71.20	412.92	7.89	-63.31
COC1=CC=C(C(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013731821	0	58	0.0	-80.10	435.79	8.15	-71.95
COC1=CC=C(C(CNC(=O)N2CCC(CC(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013731822	0	55	0.0	-77.06	408.93	8.83	-68.23
COC1=CC=C(C(CNC(=O)N2CCC(OCC(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013731823	0	56	0.0	-77.79	425.49	8.25	-69.54
COC1=CC=C(C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731824	0	55	0.0	-75.96	416.89	7.45	-68.51
COC1=CC=C(C(CNC(=O)NC2CCCC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731825	0	55	0.0	-74.07	412.61	7.86	-66.21
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCOC2)[NH+](C)C)C=C1	REAL300013731826	0	56	0.0	-73.15	422.14	6.31	-66.84
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOC2)[NH+](C)C)C=C1	REAL300013731827	0	53	0.0	-68.75	403.78	4.98	-63.77
COC1=CC=C(C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+](C)C)C=C1	REAL300013731828	0	50	0.0	-74.16	393.26	6.93	-67.23
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013731829	0	49	0.0	-63.50	381.92	6.46	-57.04
COC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)[NH+](C)C)C=C1	REAL300013731830	0	56	0.0	-70.48	419.24	8.93	-61.55
COC1=CC=C(C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731831	0	53	0.0	-60.90	395.79	8.29	-52.61
COC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731832	0	46	0.0	-69.70	362.67	6.50	-63.20
COC1=CC=C(C(CNC(=O)N2CC(OC)CC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013731833	0	56	0.0	-69.20	422.04	7.25	-61.95
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O=C([O-])C1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1	REAL300013732036	0	52	0.0	-64.62	385.00	9.23	-55.39
O=C([O-])C1=CC=C(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C=C1	REAL300013732037	0	52	0.0	-73.72	405.69	8.51	-65.21
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O=C([O-])C1CCC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1	REAL300013732039	0	55	0.0	-61.17	402.59	8.58	-52.59
O=C([O-])CCCCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013732040	0	51	0.0	-73.24	389.44	7.20	-66.04
O=C([O-])C1=CC(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)=CC=C1	REAL300013732041	0	52	0.0	-69.92	409.03	8.87	-61.05
O=C([O-])CCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013732042	0	45	0.0	-68.64	346.44	5.62	-63.02
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CC(C)(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300013732044	0	51	0.0	-72.68	381.29	7.09	-65.59
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732045	0	52	0.0	-74.65	385.95	8.53	-66.12
CC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732046	0	55	0.0	-54.76	406.37	9.86	-44.90
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1	REAL300013732047	0	55	0.0	-65.53	398.36	9.57	-55.96
O=C([O-])CCCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013732048	0	48	0.0	-66.09	367.94	6.42	-59.67
CC1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1C(=O)[O-]	REAL300013732049	0	55	0.0	-75.15	397.68	9.31	-65.84
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CCOCC1	REAL300013732050	0	56	0.0	-57.19	411.59	6.90	-50.29
CC(C)(CCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300013732051	0	54	0.0	-67.20	400.64	7.29	-59.91
CCC(CC)(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300013732052	0	57	0.0	-57.98	413.53	8.10	-49.88
CC(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300013732053	0	48	0.0	-69.92	364.10	6.35	-63.57
CC(C)C(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300013732054	0	54	0.0	-56.98	403.71	7.55	-49.43
CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013732055	0	61	0.0	-75.50	445.16	9.37	-66.13
CC(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013732056	0	58	0.0	-58.63	436.81	9.74	-48.89
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732057	0	52	0.0	-63.03	392.68	8.03	-55.00
O=C([O-])CCC1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1	REAL300013732058	0	58	0.0	-69.65	425.85	10.71	-58.94
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C2	REAL300013732059	0	54	0.0	-71.02	402.77	7.40	-63.62
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CCCC1	REAL300013732060	0	55	0.0	-55.51	406.00	8.43	-47.08
CC1CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CCC1C(=O)[O-]	REAL300013732061	0	55	0.0	-66.93	394.08	9.61	-57.32
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CCC1	REAL300013732062	0	52	0.0	-58.33	391.67	8.13	-50.20
O=C([O-])CC(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1CC1	REAL300013732063	0	55	0.0	-71.07	413.91	8.47	-62.60
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1	REAL300013732064	0	55	0.0	-65.53	398.36	9.57	-55.96
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)CC(=O)[O-]	REAL300013732065	0	60	0.0	-66.39	434.14	8.77	-57.62
O=C([O-])C1=CC=CC=C1CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013732066	0	52	0.0	-60.10	399.30	8.62	-51.48
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732067	0	56	0.0	-72.30	419.67	7.59	-64.71
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732068	0	49	0.0	-66.85	373.40	6.99	-59.86
O=C([O-])CN1CCC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1	REAL300013732069	0	57	0.0	-70.53	421.37	6.06	-64.47
O=C([O-])[C@@H]1CCCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732070	0	52	0.0	-54.84	385.67	9.22	-45.62
O=C([O-])[C@H]1CCCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732071	0	52	0.0	-75.67	382.28	8.89	-66.78
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732072	0	49	0.0	-66.91	373.44	6.98	-59.93
O=C([O-])[C@H]1C[C@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732073	0	49	0.0	-69.33	372.65	7.01	-62.32
O=C([O-])C1=CC(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)=CC=C1	REAL300013732074	0	52	0.0	-69.92	409.03	8.87	-61.05
CCC(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300013732075	0	51	0.0	-55.90	381.19	7.27	-48.63
O=C([O-])CCC1CCCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013732076	0	58	0.0	-74.47	419.62	10.63	-63.84
O=C([O-])CCCCCCCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013732077	0	60	0.0	-74.31	453.93	9.54	-64.77
O=C([O-])CCCCCCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013732078	0	57	0.0	-75.38	432.43	8.76	-66.62
CN(CCCC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013732079	0	51	0.0	-72.58	385.55	8.80	-63.78
CC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732080	0	55	0.0	-77.81	397.21	9.67	-68.14
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732081	0	59	0.0	-80.14	433.49	9.15	-70.99
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013732082	0	55	0.0	-46.80	417.24	8.16	-38.64
O=C([O-])CCC1CCCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732083	0	58	0.0	-76.78	421.86	10.33	-66.45
O=C([O-])C1CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC2=CC=CC=C21	REAL300013732084	0	56	0.0	-74.51	415.74	11.42	-63.09
O=C([O-])C(=O)N1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1	REAL300013732085	0	53	0.0	-67.57	398.58	7.99	-59.58
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013732086	0	55	0.0	-72.33	400.88	9.85	-62.48
O=C([O-])C1(O)CCCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732087	0	53	0.0	-73.18	392.04	6.47	-66.71
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C2=CC=CC=C21	REAL300013732088	0	56	0.0	-69.20	429.56	10.00	-59.20
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1	REAL300013732089	0	59	0.0	-68.36	429.45	9.43	-58.93
O=C([O-])C12CC(NC(=O)NCC(C3=CC=CO3)[NH+]3CCCCC3)(C1)C2	REAL300013732090	0	50	0.0	-73.83	386.73	7.53	-66.30
O=C([O-])CC1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CCCCC1	REAL300013732091	0	61	0.0	-64.73	428.57	9.19	-55.54
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1	REAL300013732092	0	55	0.0	-65.23	407.37	8.98	-56.25
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1	REAL300013732093	0	58	0.0	-72.53	430.26	9.24	-63.29
O=C([O-])CC1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1	REAL300013732094	0	55	0.0	-70.15	403.53	9.93	-60.22
O=C([O-])COC1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1	REAL300013732095	0	56	0.0	-69.19	420.07	9.31	-59.88
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732096	0	55	0.0	-67.40	411.81	8.55	-58.85
O=C([O-])C1CCCC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732097	0	55	0.0	-67.55	407.80	8.19	-59.36
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CCCOC1	REAL300013732098	0	56	0.0	-53.44	410.27	6.78	-46.66
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CCOC1	REAL300013732099	0	53	0.0	-56.77	395.08	5.75	-51.02
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C2	REAL300013732100	0	50	0.0	-68.34	388.08	8.04	-60.30
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC1	REAL300013732101	0	49	0.0	-50.37	373.18	7.23	-43.14
O=C([O-])C1CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CC12CCC2	REAL300013732102	0	56	0.0	-59.42	411.21	9.67	-49.75
CC1(C(=O)[O-])CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CCO1	REAL300013732103	0	53	0.0	-76.49	389.45	8.10	-68.39
O=C([O-])C1CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732104	0	46	0.0	-61.51	357.29	7.64	-53.87
COC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732105	0	56	0.0	-58.21	417.26	8.34	-49.87
O=C([O-])C1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013732106	0	49	0.0	-71.03	369.06	7.99	-63.04
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C2	REAL300013732107	0	50	0.0	-75.13	384.28	7.68	-67.45
CC(CCC(=O)[O-])NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013732108	0	51	0.0	-63.06	387.68	7.42	-55.64
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CO1	REAL300013732109	1	45	0.0	-66.51	342.92	7.38	-59.13
C[NH+](C)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1=CC=CO1	REAL300013732110	1	45	0.0	-76.59	363.53	6.64	-69.95
C[NH+](C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)C1=CC=CO1	REAL300013732111	1	43	0.0	-58.12	332.76	5.51	-52.61
C[NH+](C)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)C1=CC=CO1	REAL300013732112	1	48	0.0	-66.21	360.66	6.77	-59.44
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CO1	REAL300013732113	1	45	0.0	-77.16	367.84	7.00	-70.16
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CO1	REAL300013732114	1	47	0.0	-73.88	373.08	6.46	-67.42
C[NH+](C)C(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C1=CC=CO1	REAL300013732115	1	55	0.0	-76.49	415.82	10.53	-65.96
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=CO1	REAL300013732116	1	45	0.0	-73.45	348.07	7.01	-66.44
CC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CO2)[NH+](C)C)C1	REAL300013732117	1	48	0.0	-52.47	356.25	7.84	-44.63
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CO1	REAL300013732118	1	48	0.0	-69.13	356.27	7.67	-61.46
CC1CCN(C(=O)NCC(C2=CC=CO2)[NH+](C)C)CC1C(=O)[O-]	REAL300013732119	1	48	0.0	-76.51	360.14	7.81	-68.70
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CO1	REAL300013732120	1	49	0.0	-58.73	365.86	4.69	-54.04
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CO1	REAL300013732121	1	47	0.0	-70.13	362.78	5.77	-64.36
CCC(CC)(CNC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300013732122	1	50	0.0	-63.21	373.49	6.93	-56.28
CC(C)C(CNC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300013732123	1	47	0.0	-57.91	360.62	6.15	-51.76
CC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013732124	1	54	0.0	-77.48	402.26	7.47	-70.01
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300013732125	1	51	0.0	-57.02	390.97	8.11	-48.91
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013732126	1	45	0.0	-65.60	351.22	6.18	-59.42
C[NH+](C)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C1=CC=CO1	REAL300013732127	1	51	0.0	-72.01	383.78	8.87	-63.14
C[NH+](C)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1=CC=CO1	REAL300013732128	1	47	0.0	-72.39	361.10	5.65	-66.74
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CO1	REAL300013732129	1	48	0.0	-58.00	364.23	6.58	-51.42
CC1CN(C(=O)NCC(C2=CC=CO2)[NH+](C)C)CCC1C(=O)[O-]	REAL300013732130	1	48	0.0	-70.64	357.36	8.11	-62.53
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCC1)C1=CC=CO1	REAL300013732131	1	45	0.0	-56.50	351.17	6.13	-50.37
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CO1	REAL300013732132	1	48	0.0	-74.30	371.76	6.62	-67.68
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CO1	REAL300013732133	1	48	0.0	-69.13	356.27	7.67	-61.46
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CO1)[NH+](C)C)CC(=O)[O-]	REAL300013732134	1	53	0.0	-65.63	397.30	7.06	-58.57
C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CO1	REAL300013732135	1	45	0.0	-69.76	361.44	7.11	-62.65
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CO2)[NH+](C)C)C1	REAL300013732136	1	49	0.0	-75.75	377.73	5.70	-70.05
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC(C3=CC=CO3)[NH+](C)C)C2)C=N1	REAL300013732138	1	55	0.0	-61.88	427.17	8.64	-53.24
C[NH+](C)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013732139	1	45	0.0	-75.10	343.10	7.40	-67.70
C[NH+](C)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013732140	1	45	0.0	-76.95	344.73	7.39	-69.56
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CO1	REAL300013732141	1	45	0.0	-77.16	367.84	7.00	-70.16
COC(=O)C1CC2(C1)CN(C(=O)NCC(C1=CC=CO1)[NH+](C)C)CC2C(=O)[O-]	REAL300013732142	1	55	0.0	-64.37	427.74	8.87	-55.50
C[NH+](C)C(CNC(=O)N1CCCCC1CCC(=O)[O-])C1=CC=CO1	REAL300013732143	1	51	0.0	-79.02	377.99	8.73	-70.29
C[NH+](C)C(CNC(=O)NCCCCCCCC(=O)[O-])C1=CC=CO1	REAL300013732144	1	53	0.0	-76.24	416.07	8.02	-68.22
C[NH+](C)C(CNC(=O)NCCCCCCC(=O)[O-])C1=CC=CO1	REAL300013732145	1	50	0.0	-77.11	394.57	7.25	-69.86
C[NH+](C)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=CO1	REAL300013732146	1	48	0.0	-76.35	358.59	8.17	-68.18
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CO2)[NH+](C)C)C1	REAL300013732147	1	52	0.0	-81.16	390.66	7.30	-73.86
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300013732148	1	48	0.0	-56.70	379.39	6.64	-50.06
C[NH+](C)C(CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C1=CC=CO1	REAL300013732149	1	54	0.0	-78.21	416.31	9.20	-69.01
C[NH+](C)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C1=CC=CO1	REAL300013732150	1	51	0.0	-77.82	385.13	8.83	-68.99
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1=CC=CO1	REAL300013732151	1	49	0.0	-78.27	373.73	9.50	-68.77
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC(C2=CC=CO2)[NH+](C)C)CCO1	REAL300013732152	1	56	0.0	-77.02	430.07	6.91	-70.11
C[NH+](C)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1=CC=CO1	REAL300013732153	1	46	0.0	-66.71	356.57	6.07	-60.64
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CC=CO1)[NH+](C)C	REAL300013732154	1	48	0.0	-56.20	360.23	8.03	-48.17
C[NH+](C)C(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013732155	1	52	0.0	-64.30	407.06	9.98	-54.32
C[NH+](C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=CO1	REAL300013732156	1	46	0.0	-57.30	349.47	4.66	-52.64
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1=CC=CO1	REAL300013732157	1	49	0.0	-71.97	388.18	8.15	-63.82
C[NH+](C)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1=CC=CO1	REAL300013732158	1	52	0.0	-83.12	391.80	6.85	-76.27
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CO2)[NH+](C)C)CC1	REAL300013732159	1	52	0.0	-72.92	388.34	7.56	-65.36
C[NH+](C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C1=CC=CO1	REAL300013732160	1	43	0.0	-79.02	341.21	5.31	-73.71
C[NH+](C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1=CC=CO1	REAL300013732161	1	54	0.0	-70.73	391.64	7.64	-63.09
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1=CC=CO1	REAL300013732162	1	48	0.0	-63.18	365.75	7.14	-56.04
C[NH+](C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=CO1	REAL300013732163	1	51	0.0	-75.01	389.93	7.43	-67.58
C[NH+](C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)C1=CC=CO1	REAL300013732164	1	48	0.0	-73.02	361.46	8.09	-64.93
C[NH+](C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C1=CC=CO1	REAL300013732165	1	49	0.0	-71.29	378.00	7.47	-63.82
C[NH+](C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013732166	1	48	0.0	-72.10	370.44	6.71	-65.39
C[NH+](C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)C1=CC=CO1	REAL300013732167	1	48	0.0	-67.02	366.02	7.13	-59.89
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C1=CC=CO1	REAL300013732168	1	49	0.0	-60.94	374.93	5.55	-55.39
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)C1=CC=CO1	REAL300013732169	1	46	0.0	-59.83	352.92	3.86	-55.97
C[NH+](C)C(CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C1=CC=CO1	REAL300013732170	1	57	0.0	-76.74	438.75	9.01	-67.73
C[NH+](C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CO1	REAL300013732171	1	43	0.0	-71.25	346.70	6.19	-65.06
C[NH+](C)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1=CC=CO1	REAL300013732172	1	49	0.0	-63.70	372.34	8.16	-55.54
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1=CC=CO1	REAL300013732173	1	45	0.0	-68.44	364.56	7.23	-61.21
C[NH+](C)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CO1	REAL300013732174	1	46	0.0	-79.19	347.73	6.33	-72.86
COC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CO2)[NH+](C)C)C1	REAL300013732175	1	49	0.0	-58.10	377.32	6.37	-51.73
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CO1	REAL300013732176	1	43	0.0	-78.27	340.54	5.87	-72.40
O=C([O-])C1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	REAL300013732177	1	56	0.0	-67.44	382.54	7.42	-60.02
O=C([O-])C1=CC=C(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C=C1	REAL300013732178	0	56	0.0	-74.16	405.46	6.98	-67.18
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1	REAL300013732179	1	54	0.0	-76.16	374.19	5.78	-70.38
O=C([O-])C1CCC(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	REAL300013732180	0	59	0.0	-76.68	408.09	6.66	-70.02
O=C([O-])CCCCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013732181	0	55	0.0	-73.41	389.20	5.66	-67.75
O=C([O-])C1=CC(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)=CC=C1	REAL300013732182	0	56	0.0	-74.52	405.47	6.97	-67.55
O=C([O-])CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013732183	0	49	0.0	-69.11	346.20	4.08	-65.03
O=C([O-])CCCCCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013732184	0	58	0.0	-71.95	410.70	6.44	-65.51
CC(C)(CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013732185	0	55	0.0	-73.18	381.64	5.54	-67.64
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732186	1	56	0.0	-69.26	385.72	6.96	-62.30
CC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732187	1	59	0.0	-76.64	402.82	7.92	-68.72
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	REAL300013732188	1	59	0.0	-68.80	395.48	7.65	-61.15
O=C([O-])CCCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013732189	0	52	0.0	-66.67	367.70	4.88	-61.79
CC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1C(=O)[O-]	REAL300013732190	1	59	0.0	-78.50	401.07	7.88	-70.62
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOCC1	REAL300013732191	0	60	0.0	-59.36	402.75	5.89	-53.47
CC(C)(CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013732192	0	58	0.0	-67.62	400.99	5.76	-61.86
CCC(CC)(CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013732193	0	61	0.0	-56.33	413.29	6.56	-49.77
CC(CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013732194	0	52	0.0	-70.87	365.56	4.87	-66.00
CC(C)C(CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013732195	0	58	0.0	-57.31	403.49	6.03	-51.28
CC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013732196	0	65	0.0	-77.17	438.17	8.29	-68.88
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732197	0	56	0.0	-66.03	385.80	6.85	-59.18
O=C([O-])CCC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	REAL300013732198	1	62	0.0	-72.52	421.84	8.80	-63.72
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2	REAL300013732199	1	58	0.0	-73.05	396.19	6.34	-66.71
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCC1	REAL300013732200	0	59	0.0	-59.92	406.17	6.93	-52.99
CC1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCC1C(=O)[O-]	REAL300013732201	1	59	0.0	-69.74	400.86	7.91	-61.83
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCC1	REAL300013732202	0	56	0.0	-61.24	384.77	7.04	-54.20
O=C([O-])CC(CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1	REAL300013732203	0	59	0.0	-69.02	413.30	6.85	-62.17
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	REAL300013732204	1	59	0.0	-68.80	395.48	7.65	-61.15
CC(C)C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC(=O)[O-]	REAL300013732205	0	64	0.0	-64.87	434.22	7.30	-57.57
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013732206	0	56	0.0	-66.47	399.07	7.09	-59.38
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732207	1	60	0.0	-69.75	419.08	6.06	-63.69
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732208	0	53	0.0	-66.85	372.48	5.43	-61.42
O=C([O-])[C@@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732210	1	56	0.0	-77.00	381.53	7.32	-69.68
O=C([O-])[C@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732211	1	56	0.0	-78.72	378.70	8.19	-70.53
O=C([O-])C1CC(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732212	0	53	0.0	-67.92	373.16	5.43	-62.49
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732213	0	53	0.0	-72.89	369.23	6.31	-66.58
O=C([O-])C1=CC(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)=CC=C1	REAL300013732214	0	56	0.0	-74.52	405.47	6.97	-67.55
CCC(CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013732215	0	55	0.0	-56.96	386.70	5.54	-51.42
O=C([O-])CCC1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013732216	1	62	0.0	-79.61	415.77	8.73	-70.88
O=C([O-])CCCCCCCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013732217	0	64	0.0	-74.54	453.69	8.00	-66.54
O=C([O-])CCCCCCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013732218	0	61	0.0	-75.60	432.20	7.22	-68.38
CN(CCCC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013732219	1	55	0.0	-70.63	385.33	7.26	-63.37
CC1(C(=O)[O-])CCCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732220	1	59	0.0	-78.33	397.27	8.08	-70.25
COCC1(C(=O)[O-])CCCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732221	1	63	0.0	-82.52	428.14	7.85	-74.67
COCCN(CCC(=O)[O-])C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013732222	1	59	0.0	-50.84	417.02	6.62	-44.22
O=C([O-])CCC1CCCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732223	1	62	0.0	-77.70	422.17	8.77	-68.93
O=C([O-])C(=O)N1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	REAL300013732224	1	57	0.0	-67.51	391.26	6.90	-60.61
CC1CCC(C(=O)[O-])CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013732225	1	59	0.0	-53.29	397.25	7.89	-45.40
O=C([O-])C1(O)CCCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732226	1	57	0.0	-74.57	391.40	4.90	-69.67
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	REAL300013732227	1	63	0.0	-76.78	425.64	7.50	-69.28
O=C([O-])C12CC(NC(=O)NCC3([NH+]4CCOCC4)CCCCC3)(C1)C2	REAL300013732228	0	54	0.0	-76.44	382.57	5.68	-70.76
O=C([O-])CC1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCCC1	REAL300013732229	0	65	0.0	-68.84	425.50	8.51	-60.33
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	REAL300013732230	0	59	0.0	-64.76	400.26	7.92	-56.84
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	REAL300013732231	0	62	0.0	-74.36	427.85	7.39	-66.97
O=C([O-])CC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	REAL300013732232	1	59	0.0	-73.47	399.53	8.03	-65.44
O=C([O-])COC1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	REAL300013732233	1	60	0.0	-72.50	416.13	7.45	-65.05
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732234	0	59	0.0	-72.05	404.68	7.49	-64.56
O=C([O-])C1CCCC(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732235	0	59	0.0	-64.97	403.32	7.07	-57.90
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCOC1	REAL300013732236	0	60	0.0	-57.69	410.04	5.24	-52.45
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOC1	REAL300013732237	0	57	0.0	-55.19	394.85	4.21	-50.98
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2	REAL300013732238	0	54	0.0	-64.77	384.59	6.16	-58.61
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	REAL300013732239	0	53	0.0	-55.22	373.34	5.82	-49.40
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC12CCC2	REAL300013732240	1	60	0.0	-60.48	409.57	8.12	-52.36
CC1(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1	REAL300013732241	1	57	0.0	-77.25	389.72	6.59	-70.66
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732242	1	50	0.0	-61.76	353.60	5.66	-56.10
COC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732243	1	60	0.0	-53.79	414.65	6.36	-47.43
O=C([O-])C1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013732244	1	53	0.0	-70.45	368.85	6.42	-64.03
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2	REAL300013732245	0	54	0.0	-75.22	383.24	6.19	-69.03
CC(CCC(=O)[O-])NC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013732246	0	55	0.0	-63.23	387.46	5.88	-57.35
COC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])CC2)[NH+]2CCCCC2)C=C1	REAL300013732247	0	59	0.0	-72.64	431.71	10.00	-62.64
COC1=CC=C(C(CNC(=O)N2CCOC(C(=O)[O-])C2)[NH+]2CCCCC2)C=C1	REAL300013732248	0	57	0.0	-75.92	424.90	8.46	-67.46
COC1=CC=C(C(CNC(=O)NCCCCC(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300013732249	0	58	0.0	-75.63	432.73	7.93	-67.70
COC1=CC=C(C(CNC(=O)NCCC(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300013732250	0	52	0.0	-70.92	389.73	6.35	-64.57
COC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300013732251	0	61	0.0	-74.15	454.23	8.71	-65.44
COC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300013732252	0	58	0.0	-75.13	425.17	7.81	-67.32
COC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)[NH+]2CCCCC2)C=C1	REAL300013732253	0	59	0.0	-77.14	436.44	9.64	-67.50
COC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300013732254	0	55	0.0	-68.52	411.23	7.15	-61.37
COC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300013732255	0	61	0.0	-69.51	444.51	8.03	-61.48
COC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300013732256	0	55	0.0	-73.10	409.09	7.14	-65.96
COC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]2CCCCC2)C=C1	REAL300013732257	0	61	0.0	-61.05	447.02	8.31	-52.74
COC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+]2CCCCC2)C=C1	REAL300013732258	0	59	0.0	-71.10	439.07	8.69	-62.41
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCC2)[NH+]2CCCCC2)C=C1	REAL300013732259	0	59	0.0	-63.89	439.75	8.75	-55.14
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+]2CCCCC2)C=C1	REAL300013732260	0	56	0.0	-71.80	423.82	8.10	-63.70
COC1=CC=C(C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)[NH+]2CCCCC2)C=C1	REAL300013732261	0	59	0.0	-74.84	432.03	9.97	-64.87
COC1=CC=C(C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)[NH+]2CCCCC2)C=C1	REAL300013732262	0	59	0.0	-76.24	432.94	10.05	-66.19
COC1=CC=C(C(CNC(=O)NC2CC(C(=O)[O-])C2)[NH+]2CCCCC2)C=C1	REAL300013732263	0	56	0.0	-69.40	422.63	9.00	-60.40
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[NH+]2CCCCC2)C=C1	REAL300013732264	0	56	0.0	-71.86	423.02	8.12	-63.74
CCC(CNC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCCC1)C(=O)[O-]	REAL300013732265	0	58	0.0	-58.84	430.23	7.82	-51.02
COC1=CC=C(C(CNC(=O)N(C)CCCC(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300013732266	0	58	0.0	-74.79	428.86	9.53	-65.26
COC1=CC=C(C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)[NH+]2CCCCC2)C=C1	REAL300013732267	0	57	0.0	-76.89	433.58	8.33	-68.56
COC1=CC=C(C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+]2CCCCC2)C=C1	REAL300013732268	0	57	0.0	-73.30	434.99	8.82	-64.48
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CC2)[NH+]2CCCCC2)C=C1	REAL300013732269	0	56	0.0	-59.44	423.66	8.45	-50.99
COC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C2)[NH+]2CCCCC2)C=C1	REAL300013732270	0	53	0.0	-65.74	404.04	8.36	-57.38
COC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C2)[NH+]2CCCCC2)C=C1	REAL300013732271	0	56	0.0	-73.03	417.82	10.04	-62.99
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+]2CCCCC2)C=C1	REAL300013732272	0	57	0.0	-76.88	432.48	9.72	-67.16
COC1=CC=C(C(CNC(=O)NC(C)CCC(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300013732273	0	58	0.0	-65.47	430.99	8.17	-57.30
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1Cl	REAL300013732334	1	45	0.0	-37.28	380.07	8.06	-29.22
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CN(CC3=CC=CC=C3)CCO2)CC1	REAL300013732406	1	58	0.0	-36.46	441.49	5.53	-30.93
COC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])CC2)[NH+](C)C)C=C1OC	REAL300013732441	0	56	0.0	-77.99	419.42	8.05	-69.94
COC1=CC=C(C(CNC(=O)N2CCOC(C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732442	0	54	0.0	-84.02	412.59	6.53	-77.49
COC1=CC=C(C(CNC(=O)NC2CCC(C(=O)[O-])CC2)[NH+](C)C)C=C1OC	REAL300013732443	0	59	0.0	-83.44	446.28	7.34	-76.10
COC1=CC=C(C(CNC(=O)NCCCCC(=O)[O-])[NH+](C)C)C=C1OC	REAL300013732444	0	55	0.0	-82.54	424.08	7.25	-75.29
COC1=CC=C(C(CNC(=O)NCCC(=O)[O-])[NH+](C)C)C=C1OC	REAL300013732445	0	49	0.0	-77.92	381.09	5.68	-72.24
COC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+](C)C)C=C1OC	REAL300013732446	0	58	0.0	-81.02	445.58	8.03	-72.99
COC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1OC	REAL300013732447	0	55	0.0	-82.10	415.94	7.14	-74.96
COC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732448	0	56	0.0	-80.82	426.59	7.61	-73.21
COC1=CC=C(C(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732449	0	59	0.0	-81.90	440.79	8.61	-73.29
COC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+](C)C)C=C1OC	REAL300013732450	0	59	0.0	-82.43	433.82	8.35	-74.08
COC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+](C)C)C=C1OC	REAL300013732451	0	52	0.0	-75.43	402.58	6.47	-68.96
COC1=CC=C(C(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732452	0	59	0.0	-82.70	435.66	8.52	-74.18
COC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1OC	REAL300013732453	0	58	0.0	-76.43	435.87	7.35	-69.08
CCC(CC)(CNC(=O)NCC(C1=CC=C(OC)C(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300013732454	0	61	0.0	-68.53	448.17	8.15	-60.38
COC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+](C)C)C=C1OC	REAL300013732455	0	52	0.0	-80.15	399.63	6.44	-73.71
COC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1OC	REAL300013732456	0	58	0.0	-66.85	431.59	7.77	-59.08
COC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732457	0	56	0.0	-71.55	423.94	7.70	-63.85
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1OC	REAL300013732458	0	59	0.0	-73.93	444.64	7.64	-66.29
COC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)[NH+](C)C)C=C1OC	REAL300013732459	0	59	0.0	-76.02	433.09	8.78	-67.24
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCC2)[NH+](C)C)C=C1OC	REAL300013732460	0	56	0.0	-72.01	427.57	6.76	-65.25
COC1=CC=C(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1OC	REAL300013732461	0	59	0.0	-80.23	451.67	7.62	-72.61
COC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+](C)C)C=C1OC	REAL300013732462	0	59	0.0	-82.43	433.82	8.35	-74.08
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732463	0	53	0.0	-74.77	407.65	7.01	-67.76
COC1=CC=C(C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732464	0	56	0.0	-81.77	419.93	8.05	-73.72
COC1=CC=C(C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732465	0	56	0.0	-70.56	420.34	8.07	-62.49
COC1=CC=C(C(CNC(=O)NC2CC(C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732466	0	53	0.0	-74.92	408.64	7.10	-67.82
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732467	0	53	0.0	-79.49	411.53	6.19	-73.30
CCC(CNC(=O)NCC(C1=CC=C(OC)C(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300013732468	0	55	0.0	-68.70	421.58	7.15	-61.55
COC1=CC=C(C(CNC(=O)NCCCCCCC(=O)[O-])[NH+](C)C)C=C1OC	REAL300013732469	0	61	0.0	-84.85	467.08	8.81	-76.04
COC1=CC=C(C(CNC(=O)N(C)CCCC(=O)[O-])[NH+](C)C)C=C1OC	REAL300013732470	0	55	0.0	-78.94	419.57	8.85	-70.09
COC1=CC=C(C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732471	0	59	0.0	-70.73	435.02	8.82	-61.91
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=C(OC)C(OC)=C1)[NH+](C)C	REAL300013732472	0	59	0.0	-58.44	451.26	8.20	-50.24
COC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])CCC2C)[NH+](C)C)C=C1OC	REAL300013732473	0	59	0.0	-68.58	437.07	8.68	-59.90
COC1=CC=C(C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732474	0	57	0.0	-80.31	430.01	5.62	-74.69
COC1=CC=C(C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)[NH+](C)C)C=C1OC	REAL300013732475	0	54	0.0	-83.72	421.39	6.37	-77.35
COC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)[NH+](C)C)C=C1OC	REAL300013732476	0	59	0.0	-74.16	442.15	7.81	-66.35
COC1=CC=C(C(CNC(=O)N2CCC(CC(=O)[O-])CC2)[NH+](C)C)C=C1OC	REAL300013732477	0	59	0.0	-74.98	437.96	8.76	-66.22
COC1=CC=C(C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732478	0	59	0.0	-78.05	446.28	7.35	-70.70
COC1=CC=C(C(CNC(=O)NC2CCCC(C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732479	0	59	0.0	-72.84	438.55	8.69	-64.15
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOC2)[NH+](C)C)C=C1OC	REAL300013732480	0	57	0.0	-72.83	433.03	4.88	-67.95
COC1=CC=C(C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+](C)C)C=C1OC	REAL300013732481	0	54	0.0	-77.47	422.54	6.84	-70.63
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CC2)[NH+](C)C)C=C1OC	REAL300013732482	0	53	0.0	-69.59	411.47	6.39	-63.20
COC1=CC=C(C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732483	0	57	0.0	-83.19	428.35	7.31	-75.88
COC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732484	0	50	0.0	-73.32	391.91	6.41	-66.91
COC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013732485	0	53	0.0	-79.00	406.86	7.12	-71.88
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+](C)C)C=C1OC	REAL300013732486	0	54	0.0	-83.76	422.12	6.85	-76.91
COC1=CC=C(C(CNC(=O)NC(C)CCC(=O)[O-])[NH+](C)C)C=C1OC	REAL300013732487	0	55	0.0	-71.16	422.34	7.49	-63.67
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CS1	REAL300013732535	0	45	0.0	-67.75	353.71	7.94	-59.81
C[NH+](C)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1=CC=CS1	REAL300013732536	0	45	0.0	-75.48	377.47	7.57	-67.91
C[NH+](C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)C1=CC=CS1	REAL300013732537	0	43	0.0	-61.91	346.37	6.42	-55.49
C[NH+](C)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)C1=CC=CS1	REAL300013732538	0	48	0.0	-75.48	380.10	7.26	-68.22
C[NH+](C)C(CNC(=O)NCCCCC(=O)[O-])C1=CC=CS1	REAL300013732539	0	44	0.0	-76.17	352.97	5.89	-70.28
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CS1	REAL300013732540	0	45	0.0	-76.02	370.57	7.24	-68.78
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CS1	REAL300013732541	0	47	0.0	-74.45	374.47	6.68	-67.77
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CS1	REAL300013732542	0	44	0.0	-75.98	345.40	5.78	-70.20
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=CS1	REAL300013732543	0	45	0.0	-74.78	353.79	7.09	-67.69
CC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CS2)[NH+](C)C)C1	REAL300013732544	0	48	0.0	-74.51	374.33	8.54	-65.97
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CS1	REAL300013732545	0	48	0.0	-72.43	367.87	8.25	-64.18
CC1CCN(C(=O)NCC(C2=CC=CS2)[NH+](C)C)CC1C(=O)[O-]	REAL300013732546	0	48	0.0	-74.92	369.40	8.42	-66.50
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CS1	REAL300013732547	0	49	0.0	-57.44	372.31	5.33	-52.11
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CS1	REAL300013732548	0	47	0.0	-69.87	364.75	6.00	-63.87
CCC(CC)(CNC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300013732549	0	50	0.0	-56.56	375.68	7.16	-49.40
CC(C)C(CNC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300013732550	0	47	0.0	-61.67	367.26	6.27	-55.40
CC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013732551	0	54	0.0	-76.48	412.38	8.02	-68.46
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CS1	REAL300013732552	0	51	0.0	-61.29	400.34	8.44	-52.85
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CS1	REAL300013732553	0	45	0.0	-66.78	361.40	6.72	-60.06
C[NH+](C)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C1=CC=CS1	REAL300013732554	0	51	0.0	-72.02	394.56	9.42	-62.60
C[NH+](C)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1=CC=CS1	REAL300013732555	0	47	0.0	-70.19	370.89	6.24	-63.95
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CS1	REAL300013732556	0	48	0.0	-56.70	370.69	7.22	-49.48
CC1CN(C(=O)NCC(C2=CC=CS2)[NH+](C)C)CCC1C(=O)[O-]	REAL300013732557	0	48	0.0	-71.49	366.61	8.70	-62.79
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCC1)C1=CC=CS1	REAL300013732558	0	45	0.0	-58.78	360.18	6.82	-51.96
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CS1	REAL300013732559	0	48	0.0	-70.65	386.11	7.53	-63.12
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CS1	REAL300013732560	0	48	0.0	-72.43	367.87	8.25	-64.18
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CS1)[NH+](C)C)CC(=O)[O-]	REAL300013732561	0	53	0.0	-67.41	412.53	8.08	-59.33
C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CS1	REAL300013732562	0	45	0.0	-68.86	371.36	7.68	-61.18
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CS2)[NH+](C)C)C1	REAL300013732563	0	49	0.0	-75.44	384.66	6.20	-69.24
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CS1	REAL300013732564	0	42	0.0	-68.27	338.37	5.69	-62.58
C[NH+](C)C(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C1=CC=CS1	REAL300013732565	0	50	0.0	-71.31	393.38	5.13	-66.18
C[NH+](C)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC=CS1	REAL300013732566	0	45	0.0	-58.33	353.45	7.94	-50.39
C[NH+](C)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=CS1	REAL300013732567	0	45	0.0	-59.34	355.21	8.01	-51.33
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C1)C1=CC=CS1	REAL300013732568	0	42	0.0	-70.07	345.46	6.03	-64.04
C[NH+](C)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=CS1	REAL300013732569	0	42	0.0	-72.28	338.25	5.76	-66.52
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CS1	REAL300013732570	0	45	0.0	-76.02	370.57	7.24	-68.78
CCC(CNC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300013732571	0	44	0.0	-59.09	350.47	5.78	-53.31
C[NH+](C)C(CNC(=O)N1CCCCC1CCC(=O)[O-])C1=CC=CS1	REAL300013732572	0	51	0.0	-76.08	387.53	9.35	-66.73
C[NH+](C)C(CNC(=O)NCCCCCCCC(=O)[O-])C1=CC=CS1	REAL300013732573	0	53	0.0	-77.18	417.46	8.24	-68.94
C[NH+](C)C(CNC(=O)NCCCCCCC(=O)[O-])C1=CC=CS1	REAL300013732574	0	50	0.0	-78.29	395.96	7.46	-70.83
CN(CCCC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300013732575	0	44	0.0	-75.76	349.09	7.50	-68.26
C[NH+](C)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=CS1	REAL300013732576	0	48	0.0	-60.78	368.84	8.74	-52.04
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CS2)[NH+](C)C)C1	REAL300013732577	0	52	0.0	-59.67	396.28	8.27	-51.40
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300013732578	0	48	0.0	-48.31	380.77	6.85	-41.46
C[NH+](C)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C1=CC=CS1	REAL300013732579	0	51	0.0	-76.13	394.40	9.42	-66.71
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1=CC=CS1	REAL300013732580	0	49	0.0	-77.67	386.66	10.72	-66.95
C[NH+](C)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1=CC=CS1	REAL300013732581	0	46	0.0	-67.08	367.34	6.68	-60.40
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300013732582	0	48	0.0	-51.81	362.62	8.13	-43.68
C[NH+](C)C(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1=CC=CS1	REAL300013732583	0	52	0.0	-61.90	410.12	10.12	-51.78
C[NH+](C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=CS1	REAL300013732584	0	46	0.0	-74.05	363.63	5.52	-68.53
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1=CC=CS1	REAL300013732585	0	49	0.0	-71.97	398.13	8.71	-63.26
C[NH+](C)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1=CC=CS1	REAL300013732586	0	52	0.0	-83.06	398.99	7.43	-75.63
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CS2)[NH+](C)C)CC1	REAL300013732587	0	52	0.0	-74.37	398.05	8.12	-66.25
C[NH+](C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C1=CC=CS1	REAL300013732588	0	43	0.0	-78.87	346.68	5.91	-72.96
C[NH+](C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1=CC=CS1	REAL300013732589	0	54	0.0	-64.83	401.24	8.27	-56.56
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1=CC=CS1	REAL300013732590	0	48	0.0	-65.25	375.67	7.69	-57.56
C[NH+](C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=CS1	REAL300013732591	0	51	0.0	-76.70	393.12	7.55	-69.15
C[NH+](C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)C1=CC=CS1	REAL300013732592	0	48	0.0	-72.27	372.24	8.64	-63.63
C[NH+](C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C1=CC=CS1	REAL300013732593	0	49	0.0	-71.95	388.78	8.03	-63.92
C[NH+](C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=CC=CS1	REAL300013732594	0	48	0.0	-71.15	379.85	7.25	-63.90
C[NH+](C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)C1=CC=CS1	REAL300013732595	0	48	0.0	-70.40	371.34	6.90	-63.50
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C1=CC=CS1	REAL300013732596	0	49	0.0	-63.59	384.85	6.11	-57.48
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)C1=CC=CS1	REAL300013732597	0	46	0.0	-63.18	367.36	4.80	-58.38
C[NH+](C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CS1	REAL300013732598	0	43	0.0	-68.62	356.33	6.76	-61.86
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CC1)C1=CC=CS1	REAL300013732599	0	42	0.0	-57.53	344.99	6.29	-51.24
C[NH+](C)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1=CC=CS1	REAL300013732600	0	49	0.0	-64.08	383.48	8.81	-55.27
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1=CC=CS1	REAL300013732601	0	45	0.0	-67.83	366.87	7.36	-60.47
C[NH+](C)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CS1	REAL300013732602	0	46	0.0	-80.62	355.37	6.81	-73.81
COC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CS2)[NH+](C)C)C1	REAL300013732603	0	49	0.0	-61.87	385.02	7.06	-54.81
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])C1)C1=CC=CS1	REAL300013732604	0	42	0.0	-70.96	340.59	7.04	-63.92
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CS1	REAL300013732605	0	43	0.0	-75.55	355.89	6.77	-68.78
CC(CCC(=O)[O-])NC(=O)NCC(C1=CC=CS1)[NH+](C)C	REAL300013732606	0	44	0.0	-66.97	351.23	6.13	-60.84
C[NH+](C)C1(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CCCC1	REAL300013732607	0	48	0.0	-74.50	361.29	7.30	-67.20
C[NH+](C)C1(CNC(=O)NC2CCC(C(=O)[O-])CC2)CCCC1	REAL300013732608	0	51	0.0	-74.14	363.91	6.99	-67.15
C[NH+](C)C1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCCC1	REAL300013732609	0	48	0.0	-73.64	361.29	7.29	-66.35
C[NH+](C)C1(CNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CCCC1	REAL300013732610	0	58	0.0	-75.15	410.48	10.97	-64.18
CC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+](C)C)CCCC2)C1	REAL300013732611	0	51	0.0	-54.37	354.48	8.43	-45.94
C[NH+](C)C1(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CCCC1	REAL300013732612	0	51	0.0	-67.49	348.00	7.70	-59.79
CC1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1C(=O)[O-]	REAL300013732613	0	51	0.0	-51.56	345.88	7.69	-43.87
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCCC1	REAL300013732614	0	52	0.0	-61.81	365.62	5.31	-56.50
CCC(CC)(CNC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300013732615	0	53	0.0	-60.93	365.13	7.16	-53.77
CC(NC(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013732616	0	57	0.0	-78.20	400.81	8.21	-69.99
C[NH+](C)C1(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCCC1	REAL300013732617	0	54	0.0	-61.17	387.02	8.75	-52.42
C[NH+](C)C1(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CCCC1	REAL300013732618	0	54	0.0	-71.55	376.38	9.12	-62.43
C[NH+](C)C1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300013732619	0	50	0.0	-69.38	352.87	5.92	-63.46
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCCC1	REAL300013732620	0	51	0.0	-62.23	358.98	7.47	-54.76
CC1CN(C(=O)NCC2([NH+](C)C)CCCC2)CCC1C(=O)[O-]	REAL300013732621	0	51	0.0	-69.22	354.42	8.02	-61.20
C[NH+](C)C1(CNC(=O)NCC(CC(=O)[O-])C2CC2)CCCC1	REAL300013732622	0	51	0.0	-69.94	371.32	7.22	-62.72
C[NH+](C)C1(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CCCC1	REAL300013732623	0	51	0.0	-67.49	348.00	7.70	-59.79
CC(C)C[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)CC(=O)[O-]	REAL300013732624	0	56	0.0	-64.95	391.51	7.51	-57.44
C[NH+](C)C1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCCC1	REAL300013732625	0	48	0.0	-66.75	354.90	7.40	-59.35
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+](C)C)CCCC2)C1	REAL300013732626	0	52	0.0	-69.60	372.62	6.16	-63.44
C[NH+](C)C1(CNC(=O)NC2CCN(CC(=O)[O-])CC2)CCCC1	REAL300013732627	0	53	0.0	-70.16	377.07	4.83	-65.33
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3([NH+](C)C)CCCC3)C2)C=N1	REAL300013732628	0	58	0.0	-57.96	421.41	8.90	-49.06
C[NH+](C)C1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCCC1	REAL300013732629	0	48	0.0	-73.64	361.29	7.29	-66.35
C[NH+](C)C1(CNC(=O)N2CCCCC2CCC(=O)[O-])CCCC1	REAL300013732630	0	54	0.0	-79.05	369.38	8.79	-70.26
C[NH+](C)C1(CNC(=O)NCCCCCCCC(=O)[O-])CCCC1	REAL300013732631	0	56	0.0	-73.10	409.52	8.32	-64.78
C[NH+](C)C1(CNC(=O)NCCCCCCC(=O)[O-])CCCC1	REAL300013732632	0	53	0.0	-73.68	388.02	7.53	-66.15
C[NH+](C)C1(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CCCC1	REAL300013732633	0	51	0.0	-77.00	351.26	8.17	-68.83
COCC1(C(=O)[O-])CCCN(C(=O)NCC2([NH+](C)C)CCCC2)C1	REAL300013732634	0	55	0.0	-54.76	382.39	7.97	-46.79
COCCN(CCC(=O)[O-])C(=O)NCC1([NH+](C)C)CCCC1	REAL300013732635	0	51	0.0	-61.06	372.81	6.94	-54.12
C[NH+](C)C1(CNC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)CCCC1	REAL300013732636	0	57	0.0	-77.91	409.05	8.89	-69.02
C[NH+](C)C1(CNC(=O)N2CCCC(CCC(=O)[O-])C2)CCCC1	REAL300013732637	0	54	0.0	-77.29	375.71	8.90	-68.39
C[NH+](C)C1(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CCCC1	REAL300013732638	0	52	0.0	-72.59	368.65	10.21	-62.38
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2([NH+](C)C)CCCC2)CCO1	REAL300013732639	0	59	0.0	-66.33	426.57	7.26	-59.07
C[NH+](C)C1(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCCC1	REAL300013732640	0	49	0.0	-70.02	347.87	6.24	-63.78
CC1CCC(C(=O)[O-])CN1C(=O)NCC1([NH+](C)C)CCCC1	REAL300013732641	0	51	0.0	-60.55	353.60	8.25	-52.30
C[NH+](C)C1(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CCCC1	REAL300013732642	0	55	0.0	-59.63	398.53	9.88	-49.75
C[NH+](C)C1(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CCCC1	REAL300013732643	0	49	0.0	-55.24	345.63	5.00	-50.24
C[NH+](C)C1(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CCCC1	REAL300013732644	0	52	0.0	-69.32	377.83	8.04	-61.28
C[NH+](C)C1(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CCCC1	REAL300013732645	0	55	0.0	-76.89	387.82	7.28	-69.61
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1	REAL300013732646	0	55	0.0	-70.26	378.99	7.64	-62.62
C[NH+](C)C1(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CCCC1	REAL300013732647	0	57	0.0	-63.26	386.61	7.90	-55.36
C[NH+](C)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CCCC1	REAL300013732648	0	51	0.0	-66.49	359.49	7.41	-59.08
C[NH+](C)C1(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CCCC1	REAL300013732649	0	54	0.0	-72.99	382.35	7.69	-65.30
C[NH+](C)C1(CNC(=O)N2CCC(CC(=O)[O-])CC2)CCCC1	REAL300013732650	0	51	0.0	-66.10	354.07	8.34	-57.76
C[NH+](C)C1(CNC(=O)N2CCC(OCC(=O)[O-])CC2)CCCC1	REAL300013732651	0	52	0.0	-73.25	370.67	7.76	-65.49
C[NH+](C)C1(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CCCC1	REAL300013732652	0	51	0.0	-69.46	361.29	6.74	-62.72
C[NH+](C)C1(CNC(=O)NC2CCCC(C(=O)[O-])C2)CCCC1	REAL300013732653	0	51	0.0	-68.74	363.40	6.98	-61.76
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCCOC2)CCCC1	REAL300013732654	0	52	0.0	-60.70	365.86	5.56	-55.14
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCOC2)CCCC1	REAL300013732655	0	49	0.0	-56.14	352.69	4.49	-51.65
C[NH+](C)C1(CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)CCCC1	REAL300013732656	0	60	0.0	-73.67	436.56	9.67	-64.00
C[NH+](C)C1(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CCCC1	REAL300013732657	0	52	0.0	-64.82	363.73	8.45	-56.37
C[NH+](C)C1(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CCCC1	REAL300013732658	0	48	0.0	-66.51	355.39	7.30	-59.21
C[NH+](C)C1(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CCCC1	REAL300013732659	0	49	0.0	-77.12	343.27	6.71	-70.41
COC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+](C)C)CCCC2)C1	REAL300013732660	0	52	0.0	-54.06	371.57	6.63	-47.43
C[NH+](C)C1(CNC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)CCCC1	REAL300013732661	0	57	0.0	-83.27	413.88	6.01	-77.26
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=CC=C2)CC1	REAL300013732686	1	46	0.0	-37.17	362.65	5.86	-31.31
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)N1CCOCC1	REAL300013732752	1	54	0.0	-35.74	388.90	3.17	-32.57
COC(=O)CCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013732801	1	44	0.0	-39.01	349.80	4.80	-34.21
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCOC3=CC=CC=C32)CC1	REAL300013732851	1	47	0.0	-37.61	357.74	5.86	-31.75
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCSC3=CC=CC=C32)CC1	REAL300013732922	1	47	0.0	-37.58	366.21	7.40	-30.18
O=C([O-])C1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1	REAL300013732965	0	49	0.0	-69.30	364.10	8.09	-61.21
O=C([O-])C1=CC=C(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C=C1	REAL300013732966	0	49	0.0	-73.98	388.96	7.79	-66.19
O=C([O-])C1CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCO1	REAL300013732967	0	47	0.0	-55.07	358.07	6.60	-48.47
O=C([O-])C1CCC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1	REAL300013732968	0	52	0.0	-63.35	385.85	7.87	-55.48
O=C([O-])CCCCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300013732969	0	48	0.0	-73.87	372.10	6.42	-67.45
O=C([O-])C1=CC(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)=CC=C1	REAL300013732970	0	49	0.0	-71.95	388.36	7.73	-64.22
O=C([O-])CCCCCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300013732971	0	51	0.0	-72.20	393.60	7.20	-65.00
CC(C)(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300013732972	0	48	0.0	-73.39	363.96	6.31	-67.08
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013732973	0	49	0.0	-75.29	368.64	7.74	-67.55
CC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013732974	0	52	0.0	-57.86	393.96	8.67	-49.19
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1	REAL300013732975	0	52	0.0	-70.22	377.86	8.41	-61.81
O=C([O-])CCCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300013732976	0	45	0.0	-66.76	350.60	5.64	-61.12
CC1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1C(=O)[O-]	REAL300013732977	0	52	0.0	-75.60	381.11	8.59	-67.01
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCOCC1	REAL300013732978	0	53	0.0	-55.95	392.27	5.66	-50.29
CC(C)(CCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300013732979	0	51	0.0	-67.88	383.30	6.50	-61.38
CCC(CC)(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300013732980	0	54	0.0	-53.97	392.01	7.62	-46.35
CC(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300013732981	0	45	0.0	-71.05	347.65	5.60	-65.45
CC(C)C(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300013732982	0	51	0.0	-57.90	386.39	6.78	-51.12
CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013732983	0	58	0.0	-76.92	424.79	8.28	-68.64
CC(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013732984	0	55	0.0	-57.34	415.56	9.16	-48.18
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013732985	0	49	0.0	-62.83	372.23	6.93	-55.90
O=C([O-])CCC1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1	REAL300013732986	0	55	0.0	-72.33	404.95	9.56	-62.77
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C2	REAL300013732987	0	51	0.0	-71.77	382.98	6.32	-65.45
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCCC1	REAL300013732988	0	52	0.0	-57.64	389.64	7.73	-49.91
CC1CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCC1C(=O)[O-]	REAL300013732989	0	52	0.0	-66.88	378.28	8.88	-58.00
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCC1	REAL300013732990	0	49	0.0	-55.23	371.67	7.03	-48.20
O=C([O-])CC(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CC1	REAL300013732991	0	52	0.0	-69.58	396.76	7.76	-61.82
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1	REAL300013732992	0	52	0.0	-70.22	377.86	8.41	-61.81
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)CC(=O)[O-]	REAL300013732993	0	57	0.0	-67.65	416.97	8.07	-59.58
O=C([O-])C1=CC=CC=C1CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300013732994	0	49	0.0	-63.65	382.57	7.90	-55.75
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013732995	0	53	0.0	-72.77	402.36	6.81	-65.96
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013732996	0	46	0.0	-67.23	356.68	6.25	-60.98
O=C([O-])CN1CCC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1	REAL300013732997	0	54	0.0	-70.84	404.66	5.32	-65.52
O=C([O-])[C@@H]1CCCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013732998	0	49	0.0	-50.48	364.65	8.14	-42.34
O=C([O-])[C@H]1CCCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013732999	0	49	0.0	-57.34	374.34	8.17	-49.17
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013733000	0	46	0.0	-67.21	356.77	6.24	-60.97
O=C([O-])[C@H]1C[C@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013733001	0	46	0.0	-69.80	365.47	6.29	-63.51
O=C([O-])C1=CC(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)=CC=C1	REAL300013733002	0	49	0.0	-71.95	388.36	7.73	-64.22
CCC(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300013733003	0	48	0.0	-57.51	369.60	6.30	-51.21
O=C([O-])CCC1CCCCN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300013733004	0	55	0.0	-79.31	399.08	9.53	-69.78
O=C([O-])CCCCCCCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300013733005	0	57	0.0	-74.87	436.59	8.76	-66.11
O=C([O-])CCCCCCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300013733006	0	54	0.0	-75.97	415.09	7.98	-67.99
CN(CCCC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300013733007	0	48	0.0	-73.20	368.23	8.03	-65.17
CC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013733008	0	52	0.0	-77.33	380.54	8.92	-68.41
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013733009	0	56	0.0	-81.88	412.17	8.01	-73.87
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300013733010	0	52	0.0	-55.52	400.54	7.17	-48.35
O=C([O-])CCC1CCCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013733011	0	55	0.0	-77.37	406.07	9.61	-67.76
O=C([O-])C1CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC2=CC=CC=C21	REAL300013733012	0	53	0.0	-74.97	398.49	10.62	-64.35
O=C([O-])C(=O)N1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1	REAL300013733013	0	50	0.0	-64.64	377.58	6.89	-57.75
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300013733014	0	52	0.0	-50.46	379.29	8.75	-41.71
O=C([O-])[C@@H]1CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C[C@H]1C1=CC=CC=C1	REAL300013733015	0	56	0.0	-59.58	427.98	10.77	-48.81
O=C([O-])C1(O)CCCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013733016	0	50	0.0	-73.74	374.79	5.68	-68.06
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C2=CC=CC=C21	REAL300013733017	0	53	0.0	-70.70	411.63	9.02	-61.68
O=C([O-])CN1CCCCC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1=O	REAL300013733018	0	56	0.0	-81.32	416.67	7.97	-73.35
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1	REAL300013733019	0	56	0.0	-74.27	410.05	7.59	-66.68
O=C([O-])C12CC(NC(=O)NCC(C3=CC=CO3)[NH+]3CCCC3)(C1)C2	REAL300013733020	0	47	0.0	-76.07	366.51	6.47	-69.60
O=C([O-])CC1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCCCC1	REAL300013733021	0	58	0.0	-62.06	412.35	8.46	-53.60
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1	REAL300013733022	0	52	0.0	-63.74	385.45	7.85	-55.89
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1	REAL300013733023	0	55	0.0	-73.66	409.61	8.16	-65.50
O=C([O-])CC1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1	REAL300013733024	0	52	0.0	-63.32	382.63	8.78	-54.54
O=C([O-])COC1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1	REAL300013733025	0	53	0.0	-74.98	399.17	8.18	-66.80
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013733026	0	52	0.0	-69.44	400.52	7.46	-61.98
O=C([O-])C1CCCC(NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013733027	0	52	0.0	-68.78	391.06	7.46	-61.32
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCCOC1	REAL300013733028	0	53	0.0	-58.63	396.43	6.32	-52.31
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCOC1	REAL300013733029	0	50	0.0	-54.93	378.33	5.01	-49.92
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C2	REAL300013733030	0	47	0.0	-65.80	367.43	6.97	-58.83
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC1	REAL300013733031	0	46	0.0	-51.92	356.47	6.52	-45.40
O=C([O-])C1CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CC12CCC2	REAL300013733032	0	53	0.0	-58.89	393.46	8.94	-49.95
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013733033	0	49	0.0	-65.16	384.57	7.97	-57.19
CC1(C(=O)[O-])CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCO1	REAL300013733034	0	50	0.0	-77.76	373.02	7.35	-70.41
O=C([O-])C1CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013733035	0	43	0.0	-61.68	336.83	6.54	-55.14
COC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013733036	0	53	0.0	-76.36	396.46	6.94	-69.42
O=C([O-])C1CCN(C(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013733037	0	46	0.0	-71.70	351.76	7.20	-64.50
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C2	REAL300013733038	0	47	0.0	-73.34	375.23	6.95	-66.39
CC(CCC(=O)[O-])NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300013733039	0	48	0.0	-63.72	370.36	6.65	-57.07
CC(C)[NH+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013733040	0	48	0.0	-75.08	367.41	7.06	-68.02
CC(C)[NH+]1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013733041	0	51	0.0	-66.34	367.94	7.36	-58.98
CC(C)[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013733042	0	48	0.0	-75.26	367.42	7.05	-68.21
CC(C)[NH+]1CCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013733043	0	58	0.0	-71.07	419.64	10.75	-60.32
CC(C)[NH+]1CCC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013733044	0	51	0.0	-59.39	364.57	7.98	-51.41
CC(C)[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013733045	0	51	0.0	-72.87	360.54	7.97	-64.90
CC(C)[NH+]1CCC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013733046	0	51	0.0	-58.87	357.49	7.90	-50.97
CC(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013733047	0	52	0.0	-62.15	370.72	4.94	-57.21
CCC(CC)(CNC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300013733048	0	53	0.0	-62.98	378.89	6.87	-56.11
CC(C)[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013733049	0	57	0.0	-74.50	410.15	8.27	-66.23
CC(C)[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013733050	0	54	0.0	-63.95	402.16	8.51	-55.44
CC(C)[NH+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013733051	0	54	0.0	-72.84	384.10	8.89	-63.95
CC(C)[NH+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013733052	0	50	0.0	-73.01	361.65	5.59	-67.42
CC(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013733053	0	51	0.0	-63.13	368.10	7.01	-56.12
CC(C)[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013733054	0	51	0.0	-68.56	360.30	8.40	-60.16
CC(C)[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013733055	0	51	0.0	-71.88	375.15	6.94	-64.94
CC(C)[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013733056	0	51	0.0	-72.87	360.54	7.97	-64.90
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300013733057	0	56	0.0	-69.02	396.14	7.39	-61.63
CC(C)[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013733058	0	48	0.0	-69.39	361.03	7.16	-62.23
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C(C)C)CC2)C1	REAL300013733059	0	52	0.0	-73.26	385.01	6.34	-66.92
CC(C)[NH+]1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013733060	0	53	0.0	-70.43	386.80	4.82	-65.61
CC(C)[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)CC1	REAL300013733061	0	58	0.0	-77.45	430.39	8.96	-68.49
CC(C)[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013733062	0	48	0.0	-75.26	367.42	7.05	-68.21
COC(=O)C1CC2(C1)CN(C(=O)NC1CC[NH+](C(C)C)CC1)CC2C(=O)[O-]	REAL300013733063	0	58	0.0	-61.17	426.73	8.95	-52.22
CC(C)[NH+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013733064	0	54	0.0	-75.80	381.07	9.05	-66.75
CC(C)[NH+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013733065	0	56	0.0	-73.45	419.29	8.31	-65.14
CC(C)[NH+]1CCC(NC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013733066	0	53	0.0	-74.01	397.79	7.53	-66.48
CC(C)[NH+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013733067	0	51	0.0	-76.99	359.04	8.18	-68.81
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](C(C)C)CC2)C1	REAL300013733068	0	55	0.0	-81.19	391.23	7.33	-73.86
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](C(C)C)CC1	REAL300013733069	0	51	0.0	-58.35	382.61	6.93	-51.42
CC(C)[NH+]1CCC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)CC1	REAL300013733070	0	57	0.0	-75.99	417.47	9.38	-66.61
CC(C)[NH+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013733071	0	54	0.0	-74.69	388.20	9.09	-65.60
CC(C)[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013733072	0	52	0.0	-75.82	377.57	9.93	-65.89
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CCO1	REAL300013733073	0	59	0.0	-67.04	432.35	8.07	-58.97
CC(C)[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013733074	0	49	0.0	-67.37	356.58	6.21	-61.16
CC(C)[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013733075	0	51	0.0	-60.38	360.85	8.04	-52.34
CC(C)[NH+]1CCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013733076	0	55	0.0	-65.68	406.87	10.02	-55.66
CC(C)[NH+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013733077	0	49	0.0	-73.82	353.77	4.98	-68.84
CC(C)[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013733078	0	52	0.0	-72.59	390.10	8.28	-64.31
CC(C)[NH+]1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013733079	0	55	0.0	-81.65	399.39	7.50	-74.15
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1	REAL300013733080	0	55	0.0	-76.98	388.90	6.84	-70.14
CC(C)[NH+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013733081	0	57	0.0	-68.56	391.05	7.74	-60.82
CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013733082	0	51	0.0	-65.62	369.26	7.40	-58.22
CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013733083	0	54	0.0	-73.68	393.45	7.70	-65.98
CC(C)[NH+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013733084	0	51	0.0	-66.84	361.79	8.11	-58.73
CC(C)[NH+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013733085	0	52	0.0	-72.80	378.29	7.50	-65.30
CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013733086	0	51	0.0	-69.60	373.17	6.95	-62.65
CC(C)[NH+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013733087	0	51	0.0	-67.51	365.08	7.15	-60.36
CC(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013733088	0	52	0.0	-62.45	371.97	5.31	-57.14
CC(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013733089	0	49	0.0	-62.65	360.44	4.52	-58.13
CC(C)[NH+]1CCC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013733090	0	60	0.0	-74.37	442.68	9.43	-64.94
CC(C)[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013733091	0	52	0.0	-64.52	376.76	8.51	-56.01
CC(C)[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013733092	0	48	0.0	-65.90	367.78	7.50	-58.40
CC(C)[NH+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013733093	0	49	0.0	-77.34	352.09	6.67	-70.67
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C(C)C)CC2)C1	REAL300013733094	0	52	0.0	-60.59	377.02	6.43	-54.16
CC(C)[NH+]1CCC(NC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)CC1	REAL300013733095	0	57	0.0	-82.28	422.71	5.99	-76.29
C[NH+]1CCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013733096	0	52	0.0	-74.62	385.67	9.81	-64.81
CC(NC(=O)NC1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013733097	0	51	0.0	-77.90	375.83	7.09	-70.81
C[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013733098	0	48	0.0	-67.49	367.85	7.32	-60.17
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC3CC[NH+](C)CC3)C2)C=N1	REAL300013733099	0	52	0.0	-67.13	396.23	7.76	-59.37
COC(=O)C1CC2(C1)CN(C(=O)NC1CC[NH+](C)CC1)CC2C(=O)[O-]	REAL300013733100	0	52	0.0	-71.58	397.29	7.97	-63.61
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](C)CC2)C1	REAL300013733101	0	49	0.0	-82.53	359.92	7.00	-75.53
C[NH+]1CCC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)CC1	REAL300013733102	0	51	0.0	-80.50	386.81	7.96	-72.54
C[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013733103	0	46	0.0	-78.52	346.15	9.22	-69.30
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2CC[NH+](C)CC2)CCO1	REAL300013733104	0	53	0.0	-76.40	401.67	7.10	-69.30
C[NH+]1CCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013733105	0	49	0.0	-67.40	374.51	9.03	-58.37
C[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013733106	0	46	0.0	-75.41	359.42	7.33	-68.08
C[NH+]1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013733107	0	49	0.0	-85.68	365.06	6.31	-79.37
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C)CC2)CC1	REAL300013733108	0	49	0.0	-75.41	358.20	5.92	-69.49
C[NH+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013733109	0	51	0.0	-71.27	360.38	6.78	-64.49
C[NH+]1CCC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013733110	0	54	0.0	-76.56	411.96	8.49	-68.07
C[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013733111	0	42	0.0	-69.37	333.49	6.31	-63.06
C[NH+]1CCC(NC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)CC1	REAL300013733112	0	51	0.0	-84.02	391.89	5.05	-78.97
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=N1	REAL300013733121	1	44	0.0	-35.95	347.03	5.53	-30.42
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300013733173	1	45	0.0	-36.86	367.37	7.63	-29.23
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013733263	1	45	0.0	-40.21	367.35	7.64	-32.57
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300013733334	1	55	0.0	-41.38	424.81	10.52	-30.86
CC(C)(CNC(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013733372	0	51	0.0	-67.82	355.79	8.16	-59.66
CC(C)(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCCCC1	REAL300013733373	0	51	0.0	-71.18	379.78	7.84	-63.34
CC(C)(CNC(=O)N1CCOC(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013733374	0	49	0.0	-72.89	348.49	6.67	-66.22
CC(C)(CNC(=O)NC1CCC(C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013733375	0	54	0.0	-73.12	382.41	7.53	-65.59
CC(C)(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCCCC1	REAL300013733376	0	51	0.0	-68.64	379.78	7.83	-60.81
CC(C)(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCCCC1	REAL300013733377	0	53	0.0	-69.17	384.66	7.31	-61.86
CC(C)(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013733378	0	61	0.0	-74.13	432.13	11.65	-62.48
CC(C)(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013733379	0	51	0.0	-70.43	359.65	7.86	-62.57
CC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1	REAL300013733380	0	54	0.0	-73.09	376.48	8.79	-64.30
CC(C)(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013733381	0	54	0.0	-66.64	369.32	8.51	-58.13
CC1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1C(=O)[O-]	REAL300013733382	0	54	0.0	-49.67	371.83	8.67	-41.00
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCCCC1	REAL300013733383	0	55	0.0	-52.80	383.10	5.72	-47.08
CC(C)(CCNC(=O)NCC(C)(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300013733384	0	53	0.0	-65.07	374.95	6.63	-58.44
CCC(CC)(CNC(=O)NCC(C)(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300013733385	0	56	0.0	-52.95	382.55	7.60	-45.35
CC(C)C(CNC(=O)NCC(C)(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300013733386	0	53	0.0	-53.92	372.19	7.00	-46.92
CC(NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013733387	0	60	0.0	-71.51	414.51	8.31	-63.20
CC(C)(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCCC1	REAL300013733388	0	57	0.0	-53.15	406.75	9.17	-43.98
CC(C)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013733389	0	51	0.0	-61.06	363.09	7.00	-54.06
CC(C)(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013733390	0	57	0.0	-71.70	396.63	9.63	-62.07
CC(C)(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013733391	0	53	0.0	-67.91	373.22	6.49	-61.42
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCCCC1	REAL300013733392	0	54	0.0	-54.29	380.48	7.78	-46.51
CC1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CCC1C(=O)[O-]	REAL300013733393	0	54	0.0	-67.01	369.18	8.95	-58.06
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCC1)[NH+]1CCCCC1	REAL300013733394	0	51	0.0	-52.57	363.40	6.94	-45.63
CC(C)(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCCCC1	REAL300013733395	0	54	0.0	-68.72	387.34	7.67	-61.05
CC(C)(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013733396	0	54	0.0	-66.64	369.32	8.51	-58.13
CC(C)C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)CC(=O)[O-]	REAL300013733397	0	59	0.0	-64.66	407.87	8.07	-56.59
CC(C)(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+]1CCCCC1	REAL300013733398	0	51	0.0	-58.91	373.38	7.95	-50.96
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1	REAL300013733399	0	55	0.0	-67.88	393.38	6.92	-60.96
CC(C)(CNC(=O)NC1CCN(CC(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013733400	0	56	0.0	-69.42	395.07	5.33	-64.09
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC(C)(C)[NH+]3CCCCC3)C2)C=N1	REAL300013733401	0	61	0.0	-56.12	438.80	9.52	-46.60
CC(C)(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013733402	0	51	0.0	-50.46	355.99	8.20	-42.26
CC(C)(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013733403	0	51	0.0	-51.41	356.56	8.24	-43.17
CC(C)(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCCCC1	REAL300013733404	0	51	0.0	-68.64	379.78	7.83	-60.81
COC(=O)C1CC2(C1)CN(C(=O)NCC(C)(C)[NH+]1CCCCC1)CC2C(=O)[O-]	REAL300013733405	0	61	0.0	-54.79	435.09	9.53	-45.26
CC(C)(CNC(=O)N1CCCCC1CCC(=O)[O-])[NH+]1CCCCC1	REAL300013733406	0	57	0.0	-75.42	390.06	9.59	-65.83
CC(C)(CNC(=O)NCCCCCCCC(=O)[O-])[NH+]1CCCCC1	REAL300013733407	0	59	0.0	-71.50	427.65	8.87	-62.63
CC(C)(CNC(=O)NCCCCCCC(=O)[O-])[NH+]1CCCCC1	REAL300013733408	0	56	0.0	-72.50	406.15	8.09	-64.41
CC(C)(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013733409	0	54	0.0	-74.76	371.37	8.98	-65.78
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1	REAL300013733410	0	58	0.0	-79.76	403.81	8.13	-71.63
COCCN(CCC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CCCCC1	REAL300013733411	0	54	0.0	-49.88	390.97	7.49	-42.39
CC(C)(CNC(=O)N1CCCC(CCC(=O)[O-])C1)[NH+]1CCCCC1	REAL300013733412	0	57	0.0	-56.54	396.90	9.66	-46.88
CC(C)(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013733413	0	55	0.0	-74.93	389.15	10.99	-63.94
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1	REAL300013733414	0	62	0.0	-63.96	443.98	8.72	-55.24
CC(C)(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013733415	0	52	0.0	-62.09	368.69	6.90	-55.19
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C)(C)[NH+]1CCCCC1	REAL300013733416	0	54	0.0	-49.47	370.53	8.77	-40.70
CC(C)(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013733417	0	58	0.0	-57.62	417.11	10.77	-46.85
CC(C)(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013733418	0	52	0.0	-70.67	366.21	5.80	-64.87
CC(C)(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)[NH+]1CCCCC1	REAL300013733419	0	55	0.0	-66.47	400.16	8.98	-57.49
CC(C)(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)[NH+]1CCCCC1	REAL300013733420	0	58	0.0	-77.66	407.72	8.06	-69.60
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1	REAL300013733421	0	58	0.0	-68.13	400.58	8.28	-59.85
CC(C)(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[NH+]1CCCCC1	REAL300013733422	0	49	0.0	-72.82	356.87	6.55	-66.27
CC(C)(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)[NH+]1CCCCC1	REAL300013733423	0	60	0.0	-61.40	403.24	8.50	-52.90
CC(C)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013733424	0	54	0.0	-61.79	377.99	7.97	-53.82
CC(C)(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013733425	0	57	0.0	-70.43	400.84	8.23	-62.20
CC(C)(CNC(=O)N1CCC(CC(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013733426	0	54	0.0	-70.32	374.32	8.85	-61.47
CC(C)(CNC(=O)N1CCC(OCC(=O)[O-])CC1)[NH+]1CCCCC1	REAL300013733427	0	55	0.0	-71.87	390.86	8.27	-63.60
CC(C)(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013733428	0	54	0.0	-66.59	382.40	7.53	-59.06
CC(C)(CNC(=O)NC1CCCC(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013733429	0	54	0.0	-65.08	381.89	7.52	-57.56
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCCOC1)[NH+]1CCCCC1	REAL300013733430	0	55	0.0	-60.31	387.09	6.39	-53.92
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCOC1)[NH+]1CCCCC1	REAL300013733431	0	52	0.0	-56.42	369.16	5.07	-51.35
CC(C)(CC1=CC=C(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013733432	0	63	0.0	-71.23	455.00	10.22	-61.01
CC(C)(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCCCC1	REAL300013733433	0	49	0.0	-63.67	358.64	7.03	-56.64
CC(C)(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)[NH+]1CCCCC1	REAL300013733434	0	55	0.0	-58.29	385.12	9.06	-49.23
CC(C)(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[NH+]1CCCCC1	REAL300013733435	0	51	0.0	-62.71	376.15	8.08	-54.63
CC(C)(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013733436	0	52	0.0	-73.88	364.02	7.47	-66.41
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1	REAL300013733437	0	55	0.0	-75.97	385.80	7.28	-68.69
CC(C)(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCCCC1	REAL300013733438	0	49	0.0	-72.19	357.92	7.04	-65.15
CCC1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013733467	1	51	0.0	-39.71	393.51	8.56	-31.15
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300013733540	1	45	0.0	-36.61	382.54	8.10	-28.51
CC(C)C1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013733612	1	54	0.0	-39.61	410.85	9.05	-30.56
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1Br	REAL300013733688	1	45	0.0	-37.45	366.82	7.62	-29.83
CC(C)C1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013733757	1	54	0.0	-41.26	414.48	8.94	-32.32
COC1=CC=CC=C1C(CNC(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCCC1	REAL300013733801	0	56	0.0	-68.24	402.21	8.78	-59.46
COC1=CC=CC=C1C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCCC1	REAL300013733802	0	56	0.0	-72.37	433.84	9.65	-62.72
COC1=CC=CC=C1C(CNC(=O)N1CCOC(C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733803	0	54	0.0	-73.61	402.39	8.43	-65.18
COC1=CC=CC=C1C(CNC(=O)NC1CCC(C(=O)[O-])CC1)[NH+]1CCCC1	REAL300013733804	0	59	0.0	-73.85	437.57	9.03	-64.82
COC1=CC=CC=C1C(CNC(=O)NCCCCC(=O)[O-])[NH+]1CCCC1	REAL300013733805	0	55	0.0	-71.53	417.60	8.32	-63.21
COC1=CC=CC=C1C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCCC1	REAL300013733806	0	56	0.0	-67.99	434.94	9.34	-58.65
COC1=CC=CC=C1C(CNC(=O)NCCC(=O)[O-])[NH+]1CCCC1	REAL300013733807	0	49	0.0	-66.96	374.60	6.75	-60.21
COC1=CC=CC=C1C(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCCC1	REAL300013733808	0	58	0.0	-70.15	439.09	9.10	-61.05
COC1=CC=CC=C1C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCCC1	REAL300013733809	0	55	0.0	-71.00	410.04	8.20	-62.80
COC1=CC=CC=C1C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733810	0	56	0.0	-69.41	416.86	9.56	-59.85
COC1=CC=CC=C1C(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733811	0	59	0.0	-51.26	430.56	10.55	-40.71
COC1=CC=CC=C1C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCCC1	REAL300013733812	0	59	0.0	-69.90	423.55	10.10	-59.80
COC1=CC=CC=C1C(CNC(=O)NCCCC(=O)[O-])[NH+]1CCCC1	REAL300013733813	0	52	0.0	-64.71	396.10	7.54	-57.17
COC1=CC=CC=C1C(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733814	0	59	0.0	-50.08	425.14	10.40	-39.68
COC1=CC=CC=C1C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCCC1	REAL300013733815	0	58	0.0	-65.85	428.80	8.42	-57.43
CCC(CC)(CNC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300013733816	0	61	0.0	-53.95	441.69	9.22	-44.73
COC1=CC=CC=C1C(CNC(=O)NCC(C)C(=O)[O-])[NH+]1CCCC1	REAL300013733817	0	52	0.0	-68.05	392.27	7.49	-60.56
COC1=CC=CC=C1C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]1CCCC1	REAL300013733818	0	58	0.0	-55.02	431.89	8.69	-46.33
COC1=CC=CC=C1C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733819	0	56	0.0	-61.37	417.51	8.80	-52.57
COC1=CC=CC=C1C(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCCC1	REAL300013733820	0	59	0.0	-52.87	434.54	9.59	-43.28
COC1=CC=CC=C1C(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[NH+]1CCCC1	REAL300013733821	0	59	0.0	-67.79	422.37	10.68	-57.11
COC1=CC=CC=C1C(CNC(=O)NCC1(C(=O)[O-])CCC1)[NH+]1CCCC1	REAL300013733822	0	56	0.0	-51.48	417.46	8.75	-42.73
COC1=CC=CC=C1C(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCCC1	REAL300013733823	0	59	0.0	-70.68	442.08	9.58	-61.10
COC1=CC=CC=C1C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCCC1	REAL300013733824	0	59	0.0	-69.90	423.55	10.10	-59.80
COC1=CC=CC=C1C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+]1CCCC1	REAL300013733825	0	56	0.0	-57.13	427.46	9.76	-47.37
COC1=CC=CC=C1C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733826	0	53	0.0	-64.25	401.53	8.11	-56.14
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733827	0	56	0.0	-51.20	409.59	9.77	-41.43
COC1=CC=CC=C1C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733828	0	56	0.0	-73.81	411.85	9.74	-64.07
COC1=CC=CC=C1C(CNC(=O)NC1CC(C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733829	0	53	0.0	-66.48	393.87	6.87	-59.61
COC1=CC=CC=C1C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733830	0	53	0.0	-68.37	402.34	7.82	-60.55
COC1=CC=CC=C1C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCCC1	REAL300013733831	0	56	0.0	-67.99	434.94	9.34	-58.65
CCC(CNC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300013733832	0	55	0.0	-54.68	415.10	8.21	-46.47
COC1=CC=CC=C1C(CNC(=O)NCCCCCCC(=O)[O-])[NH+]1CCCC1	REAL300013733833	0	61	0.0	-73.72	460.59	9.88	-63.84
COC1=CC=CC=C1C(CNC(=O)N(C)CCCC(=O)[O-])[NH+]1CCCC1	REAL300013733834	0	55	0.0	-72.18	413.73	9.92	-62.26
COC1=CC=CC=C1C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733835	0	59	0.0	-52.95	425.33	10.77	-42.18
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1	REAL300013733836	0	59	0.0	-46.20	442.17	9.19	-37.01
COC1=CC=CC=C1C(CNC(=O)N1CC(C(=O)[O-])CCC1C)[NH+]1CCCC1	REAL300013733837	0	59	0.0	-53.30	427.08	10.62	-42.68
COC1=CC=CC=C1C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733838	0	57	0.0	-55.31	420.49	7.42	-47.89
COC1=CC=CC=C1C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[NH+]1CCCC1	REAL300013733839	0	54	0.0	-73.22	412.08	8.29	-64.93
COC1=CC=CC=C1C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[NH+]1CCCC1	REAL300013733840	0	59	0.0	-63.71	432.11	9.37	-54.34
COC1=CC=CC=C1C(CNC(=O)N1CCC(CC(=O)[O-])CC1)[NH+]1CCCC1	REAL300013733841	0	59	0.0	-62.16	420.75	9.45	-52.71
COC1=CC=CC=C1C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733842	0	59	0.0	-68.32	428.85	8.10	-60.22
COC1=CC=CC=C1C(CNC(=O)NC1CCCC(C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733843	0	59	0.0	-64.12	433.14	9.46	-54.66
COC1=CC=CC=C1C(CNC(=O)NCC1(C(=O)[O-])CCOC1)[NH+]1CCCC1	REAL300013733844	0	57	0.0	-57.55	424.32	6.58	-50.97
COC1=CC=CC=C1C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCCC1	REAL300013733845	0	54	0.0	-66.67	405.10	7.59	-59.08
COC1=CC=CC=C1C(CNC(=O)NCC1(C(=O)[O-])CC1)[NH+]1CCCC1	REAL300013733846	0	53	0.0	-49.60	401.36	8.37	-41.23
COC1=CC=CC=C1C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733847	0	57	0.0	-73.33	418.64	9.16	-64.17
COC1=CC=CC=C1C(CNC(=O)N1CC(C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733848	0	50	0.0	-58.96	382.38	8.20	-50.76
COC1=CC=CC=C1C(CNC(=O)N1CCC(C(=O)[O-])C1)[NH+]1CCCC1	REAL300013733849	0	53	0.0	-69.46	389.61	7.89	-61.57
COC1=CC=CC=C1C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCCC1	REAL300013733850	0	54	0.0	-72.27	412.73	8.79	-63.48
COC1=CC=CC=C1C(CNC(=O)NC(C)CCC(=O)[O-])[NH+]1CCCC1	REAL300013733851	0	55	0.0	-60.90	415.85	8.56	-52.34
CC1CC[NH+](C(CNC(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CS2)CC1	REAL300013733852	0	55	0.0	-67.35	415.87	10.43	-56.92
CC1CC[NH+](C(CNC(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733853	0	53	0.0	-58.76	408.91	8.91	-49.85
CC1CC[NH+](C(CNC(=O)NC2CCC(C(=O)[O-])CC2)C2=CC=CS2)CC1	REAL300013733854	0	58	0.0	-74.25	442.63	9.75	-64.50
CC1CC[NH+](C(CNC(=O)NCCCCC(=O)[O-])C2=CC=CS2)CC1	REAL300013733855	0	54	0.0	-70.85	423.37	8.72	-62.13
CC1CC[NH+](C(CNC(=O)NCCC(=O)[O-])C2=CC=CS2)CC1	REAL300013733856	0	48	0.0	-66.76	380.37	7.15	-59.61
CC1CC[NH+](C(CNC(=O)NCCCCCC(=O)[O-])C2=CC=CS2)CC1	REAL300013733857	0	57	0.0	-70.06	444.86	9.50	-60.56
CC1CC[NH+](C(CNC(=O)NCC(C)(C)C(=O)[O-])C2=CC=CS2)CC1	REAL300013733858	0	54	0.0	-69.93	415.22	8.62	-61.31
CC1CC[NH+](C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733859	0	55	0.0	-72.63	419.87	10.07	-62.56
CC1CC[NH+](C(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733860	0	58	0.0	-56.83	432.87	11.30	-45.53
CC1CC[NH+](C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C2=CC=CS2)CC1	REAL300013733861	0	58	0.0	-69.46	429.22	10.70	-58.76
CC1CC[NH+](C(CNC(=O)NCCCC(=O)[O-])C2=CC=CS2)CC1	REAL300013733862	0	51	0.0	-65.54	401.87	7.94	-57.60
CC1CC[NH+](C(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733863	0	58	0.0	-73.60	435.60	10.98	-62.62
CC1CC[NH+](C(CNC(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CS2)CC1	REAL300013733864	0	57	0.0	-66.80	434.57	8.82	-57.98
CCC(CC)(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013733865	0	60	0.0	-57.65	447.46	9.63	-48.02
CC(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013733866	0	51	0.0	-67.97	398.91	7.90	-60.07
CC(C)C(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013733867	0	57	0.0	-58.59	432.40	9.20	-49.39
CC1CC[NH+](C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733868	0	55	0.0	-62.66	416.89	8.86	-53.80
CC1CC[NH+](C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C2=CC=CS2)CC1	REAL300013733869	0	58	0.0	-56.79	440.32	9.99	-46.80
CC1CC[NH+](C(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C2=CC=CS2)CC1	REAL300013733870	0	58	0.0	-68.94	429.23	11.17	-57.77
CC1CC[NH+](C(CNC(=O)NCC2(C(=O)[O-])CCC2)C2=CC=CS2)CC1	REAL300013733871	0	55	0.0	-58.52	423.61	9.17	-49.35
CC1CC[NH+](C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C2=CC=CS2)CC1	REAL300013733872	0	58	0.0	-67.83	448.30	9.97	-57.86
CC1CC[NH+](C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C2=CC=CS2)CC1	REAL300013733873	0	58	0.0	-69.46	429.22	10.70	-58.76
CC1CC[NH+](C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733874	0	52	0.0	-66.67	401.02	8.17	-58.50
CC1CC[NH+](C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733875	0	55	0.0	-71.60	416.17	10.43	-61.17
CC1CC[NH+](C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733876	0	55	0.0	-73.17	417.35	10.48	-62.69
CC1CC[NH+](C(CNC(=O)NC2CC(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733877	0	52	0.0	-65.61	407.34	8.51	-57.10
CC1CC[NH+](C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733878	0	52	0.0	-69.44	407.29	8.58	-60.86
CCC(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013733879	0	54	0.0	-58.12	420.87	8.61	-49.51
CC1CC[NH+](C(CNC(=O)NCCCCCCC(=O)[O-])C2=CC=CS2)CC1	REAL300013733880	0	60	0.0	-72.90	466.36	10.29	-62.61
CC1CC[NH+](C(CNC(=O)N(C)CCCC(=O)[O-])C2=CC=CS2)CC1	REAL300013733881	0	54	0.0	-70.75	419.50	10.34	-60.41
CC1CC[NH+](C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733882	0	58	0.0	-74.43	431.53	11.21	-63.22
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1	REAL300013733883	0	58	0.0	-53.29	451.19	9.69	-43.60
CC1CC[NH+](C(CNC(=O)N2CC(C(=O)[O-])CCC2C)C2=CC=CS2)CC1	REAL300013733884	0	58	0.0	-50.76	425.25	10.58	-40.18
CC1CC[NH+](C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733885	0	56	0.0	-56.67	426.89	8.02	-48.65
CC1CC[NH+](C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C2=CC=CS2)CC1	REAL300013733886	0	53	0.0	-73.59	417.44	8.74	-64.85
CC1CC[NH+](C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C2=CC=CS2)CC1	REAL300013733887	0	58	0.0	-65.37	436.90	10.14	-55.23
CC1CC[NH+](C(CNC(=O)N2CCC(CC(=O)[O-])CC2)C2=CC=CS2)CC1	REAL300013733888	0	58	0.0	-63.31	434.42	11.13	-52.18
CC1CC[NH+](C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733889	0	58	0.0	-68.83	442.66	9.75	-59.08
CC1CC[NH+](C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733890	0	58	0.0	-64.96	438.20	10.18	-54.78
CC1CC[NH+](C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C2=CC=CS2)CC1	REAL300013733891	0	56	0.0	-57.41	429.38	7.29	-50.12
CC1CC[NH+](C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CS2)CC1	REAL300013733892	0	53	0.0	-65.94	418.60	9.26	-56.68
CC1CC[NH+](C(CNC(=O)NCC2(C(=O)[O-])CC2)C2=CC=CS2)CC1	REAL300013733893	0	52	0.0	-53.88	407.15	8.77	-45.11
CC1CC[NH+](C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733894	0	56	0.0	-58.87	424.03	9.68	-49.19
CC1CC[NH+](C(CNC(=O)N2CC(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733895	0	49	0.0	-61.29	388.26	8.81	-52.48
CC1CC[NH+](C(CNC(=O)N2CCC(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013733896	0	52	0.0	-68.75	403.00	9.51	-59.24
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CC[NH+](CC)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013733908	0	57	0.0	-74.39	407.92	10.59	-63.80
CC[NH+](CC)C(CNC(=O)NCCCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013733909	0	50	0.0	-68.90	380.84	7.87	-61.03
CC[NH+](CC)C(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013733910	0	57	0.0	-78.70	410.80	10.80	-67.90
CC[NH+](CC)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300013733911	0	56	0.0	-70.05	413.54	8.75	-61.30
CC[NH+](CC)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=CC=C1Cl	REAL300013733912	0	59	0.0	-63.41	426.43	9.56	-53.85
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CC[NH+](CC)C(CNC(=O)NCC(C(=O)[O-])C(C)C)C1=CC=CC=C1Cl	REAL300013733914	0	56	0.0	-64.16	416.63	9.03	-55.13
CC[NH+](CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013733915	0	54	0.0	-65.10	400.11	9.17	-55.93
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC=C1Cl	REAL300013733916	0	57	0.0	-57.43	418.55	9.82	-47.61
CC[NH+](CC)C(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)C1=CC=CC=C1Cl	REAL300013733917	0	57	0.0	-72.44	407.89	11.07	-61.37
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCC1)C1=CC=CC=C1Cl	REAL300013733918	0	54	0.0	-55.47	401.31	9.23	-46.24
CC[NH+](CC)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300013733919	0	57	0.0	-75.44	426.85	9.93	-65.51
CC[NH+](CC)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013733920	0	57	0.0	-74.39	407.92	10.59	-63.80
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013733921	0	51	0.0	-70.22	385.87	8.44	-61.78
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013733922	0	54	0.0	-71.06	391.47	10.44	-60.62
CC[NH+](CC)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013733923	0	54	0.0	-78.39	395.11	10.25	-68.14
CC[NH+](CC)C(CNC(=O)NC1CC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013733924	0	51	0.0	-67.52	386.20	8.22	-59.30
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013733925	0	51	0.0	-71.38	385.82	8.49	-62.89
CCC(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+](CC)CC)C(=O)[O-]	REAL300013733926	0	53	0.0	-56.76	394.40	8.72	-48.04
CC[NH+](CC)C(CNC(=O)NCCCCCCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013733927	0	59	0.0	-77.75	445.33	10.22	-67.53
CC[NH+](CC)C(CNC(=O)N(C)CCCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013733928	0	53	0.0	-77.10	398.13	10.26	-66.84
CC[NH+](CC)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013733929	0	57	0.0	-80.19	409.39	10.97	-69.22
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CC[NH+](CC)C(CNC(=O)NC(C)CCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013733945	0	53	0.0	-68.14	400.59	8.88	-59.26
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C[NH+](C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013733948	0	49	0.0	-76.88	365.08	8.69	-68.19
C[NH+](C)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013733949	0	54	0.0	-62.99	396.27	9.95	-53.04
C[NH+](C)C(CNC(=O)NCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013733950	0	50	0.0	-74.22	381.30	8.52	-65.70
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300013733951	0	51	0.0	-76.53	398.06	9.83	-66.70
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013733952	0	53	0.0	-73.04	402.80	9.31	-63.73
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013733953	0	50	0.0	-73.90	373.75	8.41	-65.49
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C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013733956	0	54	0.0	-74.11	386.92	10.51	-63.60
C[NH+](C)C(CNC(=O)NCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013733957	0	47	0.0	-67.88	359.81	7.74	-60.14
CC1CCN(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)CC1C(=O)[O-]	REAL300013733958	0	54	0.0	-53.89	388.28	10.64	-43.25
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300013733959	0	55	0.0	-62.33	400.38	7.89	-54.44
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013733960	0	53	0.0	-69.02	393.10	8.63	-60.39
CCC(CC)(CNC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013733961	0	56	0.0	-57.40	405.40	9.42	-47.98
CC(CNC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013733962	0	47	0.0	-71.04	355.98	7.69	-63.35
CC(C)C(CNC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013733963	0	53	0.0	-55.94	389.52	9.02	-46.92
CC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013733964	0	60	0.0	-74.46	432.88	10.26	-64.20
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300013733965	0	57	0.0	-62.68	429.17	11.04	-51.64
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013733966	0	51	0.0	-64.98	381.79	8.96	-56.02
C[NH+](C)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013733967	0	57	0.0	-75.94	412.89	11.65	-64.29
C[NH+](C)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013733968	0	53	0.0	-73.76	390.70	8.37	-65.39
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300013733969	0	54	0.0	-61.74	398.75	9.78	-51.96
CC1CN(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)CCC1C(=O)[O-]	REAL300013733970	0	54	0.0	-71.73	385.51	10.93	-60.80
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCC1)CC1=CC=CC=C1	REAL300013733971	0	51	0.0	-59.14	381.68	8.93	-50.21
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300013733972	0	54	0.0	-69.65	405.93	9.79	-59.86
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013733973	0	54	0.0	-74.11	386.92	10.51	-63.60
CC(C)C[C@H](CNC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)CC(=O)[O-]	REAL300013733974	0	59	0.0	-64.69	423.97	10.15	-54.54
C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])CC1=CC=CC=C1	REAL300013733975	0	51	0.0	-67.44	391.68	9.94	-57.50
COCC1(C(=O)[O-])CCN(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C1	REAL300013733976	0	55	0.0	-76.07	410.25	8.91	-67.16
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013733977	0	48	0.0	-69.41	365.53	8.30	-61.11
C[NH+](C)C(CNC(=O)NC1CCN(CC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013733978	0	56	0.0	-72.58	412.96	7.36	-65.22
C[NH+](C)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013733979	0	51	0.0	-55.99	372.98	10.19	-45.80
C[NH+](C)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013733980	0	51	0.0	-77.16	374.18	10.25	-66.91
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013733981	0	48	0.0	-67.75	365.38	8.29	-59.46
C[NH+](C)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013733982	0	48	0.0	-70.63	365.66	8.34	-62.29
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300013733983	0	51	0.0	-76.53	398.06	9.83	-66.70
CCC(CNC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013733984	0	50	0.0	-55.74	373.74	8.61	-47.13
C[NH+](C)C(CNC(=O)N1CCCCC1CCC(=O)[O-])CC1=CC=CC=C1	REAL300013733985	0	57	0.0	-77.50	407.08	11.63	-65.87
C[NH+](C)C(CNC(=O)NCCCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013733986	0	59	0.0	-75.60	445.80	10.87	-64.73
C[NH+](C)C(CNC(=O)NCCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013733987	0	56	0.0	-76.39	424.31	10.09	-66.30
CN(CCCC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300013733988	0	50	0.0	-74.38	377.45	10.14	-64.24
C[NH+](C)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013733989	0	54	0.0	-57.11	387.61	11.00	-46.11
COCC1(C(=O)[O-])CCCN(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C1	REAL300013733990	0	58	0.0	-82.01	419.91	10.10	-71.91
COCCN(CCC(=O)[O-])C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300013733991	0	54	0.0	-50.89	404.80	9.32	-41.57
C[NH+](C)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)CC1=CC=CC=C1	REAL300013733992	0	57	0.0	-78.12	412.77	11.61	-66.51
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013733993	0	55	0.0	-78.80	405.40	12.99	-65.81
C[NH+](C)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013733994	0	52	0.0	-67.25	388.22	8.83	-58.42
CC1CCC(C(=O)[O-])CN1C(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300013733995	0	54	0.0	-57.38	389.36	10.84	-46.54
C[NH+](C)C(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013733996	0	58	0.0	-62.64	435.87	12.80	-49.84
C[NH+](C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013733997	0	52	0.0	-74.86	382.52	7.77	-67.09
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)CC1=CC=CC=C1	REAL300013733998	0	55	0.0	-70.88	416.84	10.96	-59.92
C[NH+](C)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)CC1=CC=CC=C1	REAL300013733999	0	58	0.0	-75.58	424.80	10.03	-65.55
COCC1(C(=O)[O-])CCN(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)CC1	REAL300013734000	0	58	0.0	-79.32	418.40	9.64	-69.68
C[NH+](C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)CC1=CC=CC=C1	REAL300013734001	0	49	0.0	-76.71	375.51	8.52	-68.19
C[NH+](C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)CC1=CC=CC=C1	REAL300013734002	0	60	0.0	-63.89	421.67	10.52	-53.37
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013734003	0	54	0.0	-67.22	396.09	9.99	-57.23
C[NH+](C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013734004	0	57	0.0	-75.98	419.34	10.24	-65.74
C[NH+](C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013734005	0	54	0.0	-74.95	390.58	10.88	-64.07
C[NH+](C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013734006	0	55	0.0	-76.12	407.14	10.27	-65.85
C[NH+](C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013734007	0	54	0.0	-69.10	399.94	9.54	-59.56
C[NH+](C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013734008	0	54	0.0	-71.08	400.18	9.50	-61.58
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)CC1=CC=CC=C1	REAL300013734009	0	55	0.0	-59.40	402.69	8.08	-51.32
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)CC1=CC=CC=C1	REAL300013734010	0	52	0.0	-56.55	387.45	7.05	-49.50
C[NH+](C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)CC1=CC=CC=C1	REAL300013734011	0	49	0.0	-67.50	376.68	9.05	-58.45
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013734012	0	48	0.0	-56.02	365.58	8.55	-47.47
C[NH+](C)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)CC1=CC=CC=C1	REAL300013734013	0	55	0.0	-61.36	400.86	10.99	-50.37
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)CC1=CC=CC=C1	REAL300013734014	0	51	0.0	-67.85	392.47	10.06	-57.79
C[NH+](C)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013734015	0	52	0.0	-59.65	380.48	9.46	-50.19
C[NH+](C)C(CNC(=O)N1CC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013734016	0	45	0.0	-62.76	346.33	8.58	-54.18
COC1CC(C(=O)[O-])CN(C(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)C1	REAL300013734017	0	55	0.0	-79.92	404.55	9.31	-70.61
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013734018	0	48	0.0	-72.81	360.05	9.29	-63.52
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)CC1=CC=CC=C1	REAL300013734019	0	49	0.0	-75.96	374.79	9.04	-66.92
CC(CCC(=O)[O-])NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C	REAL300013734020	0	50	0.0	-64.25	379.57	8.75	-55.50
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300013734054	1	48	0.0	-37.99	389.37	8.11	-29.88
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC(F)=C(Cl)C=C1Cl	REAL300013734126	1	45	0.0	-36.80	386.43	8.12	-28.68
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300013734161	0	48	0.0	-76.92	363.98	9.79	-67.13
C[NH+](C)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC(F)=C1	REAL300013734162	0	48	0.0	-82.61	391.65	8.55	-74.06
C[NH+](C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734163	0	46	0.0	-82.73	357.22	8.25	-74.48
C[NH+](C)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300013734164	0	51	0.0	-81.34	394.28	8.23	-73.11
C[NH+](C)C(CNC(=O)NCCCCC(=O)[O-])C1=CC=CC(F)=C1	REAL300013734165	0	47	0.0	-79.16	375.38	7.22	-71.94
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC(F)=C1	REAL300013734166	0	48	0.0	-83.14	391.65	8.53	-74.61
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CC(F)=C1	REAL300013734167	0	50	0.0	-78.89	396.88	8.00	-70.89
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC(F)=C1	REAL300013734168	0	47	0.0	-78.38	367.83	7.10	-71.28
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734169	0	48	0.0	-78.03	371.18	9.37	-68.66
CC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C1	REAL300013734170	0	51	0.0	-59.36	385.06	10.39	-48.97
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300013734171	0	51	0.0	-78.67	381.50	9.22	-69.45
C[NH+](C)C(CNC(=O)NCCCC(=O)[O-])C1=CC=CC(F)=C1	REAL300013734172	0	44	0.0	-74.87	353.88	6.43	-68.44
CC1CCN(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)CC1C(=O)[O-]	REAL300013734173	0	51	0.0	-56.78	380.20	10.25	-46.53
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CC(F)=C1	REAL300013734174	0	52	0.0	-67.59	393.65	6.58	-61.01
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC(F)=C1	REAL300013734175	0	50	0.0	-76.16	387.17	7.32	-68.84
CCC(CC)(CNC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300013734176	0	53	0.0	-65.62	394.78	8.29	-57.33
CC(CNC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300013734177	0	44	0.0	-76.94	350.93	6.39	-70.55
CC(C)C(CNC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300013734178	0	50	0.0	-69.94	383.33	7.70	-62.24
CC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013734179	0	57	0.0	-84.22	423.85	9.95	-74.27
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL300013734180	0	54	0.0	-67.53	418.85	9.96	-57.57
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734181	0	48	0.0	-71.15	375.30	7.69	-63.46
C[NH+](C)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300013734182	0	54	0.0	-81.54	404.80	11.27	-70.27
C[NH+](C)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734183	0	50	0.0	-74.17	386.00	7.08	-67.09
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC(F)=C1	REAL300013734184	0	51	0.0	-67.46	392.02	8.47	-58.99
CC1CN(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)CCC1C(=O)[O-]	REAL300013734185	0	51	0.0	-76.80	377.41	10.53	-66.27
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCC1)C1=CC=CC(F)=C1	REAL300013734186	0	48	0.0	-66.78	374.94	7.62	-59.16
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CC(F)=C1	REAL300013734187	0	51	0.0	-75.20	399.96	8.50	-66.70
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300013734188	0	51	0.0	-78.67	381.50	9.22	-69.45
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)CC(=O)[O-]	REAL300013734189	0	56	0.0	-71.24	420.08	8.86	-62.38
C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CC(F)=C1	REAL300013734190	0	48	0.0	-75.13	385.27	8.64	-66.49
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C1	REAL300013734191	0	52	0.0	-81.02	402.05	8.49	-72.53
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734192	0	45	0.0	-72.36	356.26	7.97	-64.39
C[NH+](C)C(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300013734193	0	53	0.0	-77.84	407.48	6.06	-71.78
C[NH+](C)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734194	0	48	0.0	-67.22	367.42	8.90	-58.32
C[NH+](C)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734195	0	48	0.0	-80.76	368.62	8.96	-71.80
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734196	0	45	0.0	-74.56	359.04	6.99	-67.57
C[NH+](C)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734197	0	45	0.0	-77.05	358.85	7.05	-70.00
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC(F)=C1	REAL300013734198	0	48	0.0	-83.14	391.65	8.53	-74.61
CCC(CNC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300013734199	0	47	0.0	-69.49	367.74	7.31	-62.18
C[NH+](C)C(CNC(=O)N1CCCCC1CCC(=O)[O-])C1=CC=CC(F)=C1	REAL300013734200	0	54	0.0	-78.82	401.31	10.28	-68.54
C[NH+](C)C(CNC(=O)NCCCCCCCC(=O)[O-])C1=CC=CC(F)=C1	REAL300013734201	0	56	0.0	-80.71	439.88	9.56	-71.15
C[NH+](C)C(CNC(=O)NCCCCCCC(=O)[O-])C1=CC=CC(F)=C1	REAL300013734202	0	53	0.0	-81.05	418.38	8.78	-72.27
CN(CCCC(=O)[O-])C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300013734203	0	47	0.0	-76.18	371.51	8.82	-67.36
C[NH+](C)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734204	0	51	0.0	-59.19	379.64	10.56	-48.63
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C1	REAL300013734205	0	55	0.0	-87.87	411.82	9.71	-78.16
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300013734206	0	51	0.0	-70.53	403.21	8.18	-62.35
C[NH+](C)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734207	0	54	0.0	-84.01	405.17	11.26	-72.75
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734208	0	52	0.0	-77.69	401.32	11.43	-66.26
C[NH+](C)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300013734209	0	49	0.0	-75.84	380.85	7.66	-68.18
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300013734210	0	51	0.0	-78.68	383.53	9.48	-69.20
C[NH+](C)C(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734211	0	55	0.0	-66.20	427.48	12.41	-53.79
C[NH+](C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734212	0	49	0.0	-80.61	374.44	7.38	-73.23
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1=CC=CC(F)=C1	REAL300013734213	0	52	0.0	-78.52	412.02	9.68	-68.84
C[NH+](C)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1=CC=CC(F)=C1	REAL300013734214	0	55	0.0	-84.63	419.59	8.75	-75.88
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)CC1	REAL300013734215	0	55	0.0	-79.19	412.21	8.98	-70.21
C[NH+](C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C1=CC=CC(F)=C1	REAL300013734216	0	46	0.0	-80.55	369.08	7.23	-73.32
C[NH+](C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1=CC=CC(F)=C1	REAL300013734217	0	57	0.0	-74.02	414.68	9.23	-64.79
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300013734218	0	51	0.0	-75.25	388.21	8.59	-66.66
C[NH+](C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300013734219	0	54	0.0	-81.50	414.03	8.93	-72.57
C[NH+](C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300013734220	0	51	0.0	-80.64	382.49	10.49	-70.15
C[NH+](C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300013734221	0	52	0.0	-81.56	399.05	9.87	-71.69
C[NH+](C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734222	0	51	0.0	-75.75	393.96	8.21	-67.54
C[NH+](C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734223	0	51	0.0	-74.57	389.85	8.65	-65.92
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C1=CC=CC(F)=C1	REAL300013734224	0	52	0.0	-71.00	398.73	7.03	-63.97
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)C1=CC=CC(F)=C1	REAL300013734225	0	49	0.0	-67.60	381.03	5.76	-61.84
C[NH+](C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CC(F)=C1	REAL300013734226	0	46	0.0	-75.60	370.18	7.71	-67.89
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300013734227	0	45	0.0	-65.43	358.84	7.24	-58.19
C[NH+](C)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1=CC=CC(F)=C1	REAL300013734228	0	52	0.0	-66.80	393.31	10.61	-56.19
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1=CC=CC(F)=C1	REAL300013734229	0	48	0.0	-67.37	384.82	9.65	-57.72
C[NH+](C)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734230	0	49	0.0	-71.63	376.04	8.16	-63.47
C[NH+](C)C(CNC(=O)N1CC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734231	0	42	0.0	-70.56	339.91	7.29	-63.27
COC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CC(F)=C2)[NH+](C)C)C1	REAL300013734232	0	52	0.0	-69.45	399.18	8.02	-61.43
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013734233	0	45	0.0	-77.48	355.12	8.00	-69.48
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CC(F)=C1	REAL300013734234	0	46	0.0	-80.65	369.78	7.73	-72.92
CC(CCC(=O)[O-])NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C	REAL300013734235	0	47	0.0	-72.23	373.64	7.45	-64.78
CCC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013734236	0	54	0.0	-70.53	403.64	10.29	-60.24
CCC1=CC=C(C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)[NH+](C)C)C=C1	REAL300013734237	0	54	0.0	-77.64	427.81	9.90	-67.74
CCC1=CC=C(C(CNC(=O)N2CCOC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013734238	0	52	0.0	-76.41	396.97	8.75	-67.66
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CCC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013734304	0	48	0.0	-65.76	376.11	8.56	-57.20
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CC(C)(CNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013734317	0	56	0.0	-77.99	424.36	6.44	-71.55
CC1(C(=O)[O-])CCN(C(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013734318	0	57	0.0	-81.50	427.90	7.77	-73.73
CC1CC(C(=O)[O-])CN(C(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013734319	0	60	0.0	-65.20	441.45	9.02	-56.18
CC1(C(=O)[O-])CCN(C(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013734320	0	60	0.0	-77.13	438.53	8.49	-68.64
O=C([O-])CCCNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013734321	0	53	0.0	-73.25	411.01	5.76	-67.49
CC1CCN(C(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CC1C(=O)[O-]	REAL300013734322	0	60	0.0	-80.51	434.90	8.41	-72.10
CC(C)(CCNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013734323	0	59	0.0	-74.07	444.29	6.65	-67.42
CCC(CC)(CNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013734324	0	62	0.0	-69.99	456.60	7.44	-62.55
CC(CNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013734325	0	53	0.0	-76.50	408.05	5.72	-70.78
CC(C)C(CNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013734326	0	59	0.0	-70.86	446.80	6.91	-63.95
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O=C([O-])C1CCN(C(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013734357	0	54	0.0	-76.36	412.14	7.34	-69.02
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CC(CCC(=O)[O-])NC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013734359	0	56	0.0	-71.73	430.76	6.78	-64.95
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C[NH+]1CCN(C(CNC(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734361	1	52	0.0	-77.43	398.92	5.75	-71.68
C[NH+]1CCN(C(CNC(=O)NC2CCC(C(=O)[O-])CC2)C2=CC=CS2)CC1	REAL300013734362	1	57	0.0	-61.66	428.34	6.90	-54.76
C[NH+]1CCN(C(CNC(=O)NCCCCC(=O)[O-])C2=CC=CS2)CC1	REAL300013734363	1	53	0.0	-75.69	414.67	5.60	-70.09
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C[NH+]1CCN(C(CNC(=O)NCCCCCC(=O)[O-])C2=CC=CS2)CC1	REAL300013734365	1	56	0.0	-73.81	436.17	6.38	-67.43
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C[NH+]1CCN(C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734367	1	54	0.0	-71.36	414.00	7.63	-63.73
CC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CS2)N2CC[NH+](C)CC2)C1	REAL300013734368	1	57	0.0	-78.66	427.29	7.90	-70.76
C[NH+]1CCN(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C2=CC=CS2)CC1	REAL300013734369	1	57	0.0	-66.74	419.29	7.62	-59.12
C[NH+]1CCN(C(CNC(=O)NCCCC(=O)[O-])C2=CC=CS2)CC1	REAL300013734370	1	50	0.0	-68.91	393.17	4.82	-64.09
CC1CCN(C(=O)NCC(C2=CC=CS2)N2CC[NH+](C)CC2)CC1C(=O)[O-]	REAL300013734371	1	57	0.0	-56.87	421.70	8.45	-48.42
C[NH+]1CCN(C(CNC(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CS2)CC1	REAL300013734372	1	56	0.0	-69.62	426.46	5.70	-63.92
CCC(CC)(CNC(=O)NCC(C1=CC=CS1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013734373	1	59	0.0	-66.15	438.76	6.50	-59.65
CC(CNC(=O)NCC(C1=CC=CS1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013734374	1	50	0.0	-73.88	389.34	4.77	-69.11
CC(C)C(CNC(=O)NCC(C1=CC=CS1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013734375	1	56	0.0	-64.74	422.77	6.09	-58.65
C[NH+]1CCN(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734376	1	54	0.0	-67.79	418.82	6.95	-60.84
C[NH+]1CCN(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C2=CC=CS2)CC1	REAL300013734377	1	57	0.0	-57.51	430.38	6.85	-50.66
CC1CN(C(=O)NCC(C2=CC=CS2)N2CC[NH+](C)CC2)CCC1C(=O)[O-]	REAL300013734378	1	57	0.0	-72.05	419.96	7.97	-64.08
C[NH+]1CCN(C(CNC(=O)NCC2(C(=O)[O-])CCC2)C2=CC=CS2)CC1	REAL300013734379	1	54	0.0	-57.48	415.07	5.93	-51.55
C[NH+]1CCN(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C2=CC=CS2)CC1	REAL300013734380	1	57	0.0	-76.80	437.05	6.81	-69.99
C[NH+]1CCN(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C2=CC=CS2)CC1	REAL300013734381	1	57	0.0	-66.74	419.29	7.62	-59.12
C[NH+]1CCN(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734382	1	51	0.0	-70.20	398.76	5.31	-64.89
C[NH+]1CCN(C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734383	1	54	0.0	-78.03	405.72	7.29	-70.74
C[NH+]1CCN(C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734384	1	54	0.0	-59.33	406.92	7.35	-51.98
C[NH+]1CCN(C(CNC(=O)NC2CC(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734385	1	51	0.0	-67.75	399.16	5.29	-62.46
C[NH+]1CCN(C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734386	1	51	0.0	-70.32	398.69	5.34	-64.98
CCC(CNC(=O)NCC(C1=CC=CS1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013734387	1	53	0.0	-58.29	407.15	5.59	-52.70
C[NH+]1CCN(C(CNC(=O)NCCCCCCC(=O)[O-])C2=CC=CS2)CC1	REAL300013734388	1	59	0.0	-77.59	457.66	7.16	-70.43
CN(CCCC(=O)[O-])C(=O)NCC(C1=CC=CS1)N1CC[NH+](C)CC1	REAL300013734389	1	53	0.0	-73.43	410.79	7.21	-66.22
C[NH+]1CCN(C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734390	1	57	0.0	-79.47	421.46	8.00	-71.47
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CS1)N1CC[NH+](C)CC1	REAL300013734391	1	57	0.0	-56.79	442.48	6.57	-50.22
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CC=CS1)N1CC[NH+](C)CC1	REAL300013734392	1	57	0.0	-78.92	428.54	8.85	-70.07
C[NH+]1CCN(C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734393	1	55	0.0	-75.89	416.92	4.78	-71.11
C[NH+]1CCN(C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C2=CC=CS2)CC1	REAL300013734394	1	52	0.0	-77.26	406.33	5.69	-71.57
C[NH+]1CCN(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C2=CC=CS2)CC1	REAL300013734395	1	57	0.0	-62.99	432.69	7.77	-55.22
C[NH+]1CCN(C(CNC(=O)N2CCC(CC(=O)[O-])CC2)C2=CC=CS2)CC1	REAL300013734396	1	57	0.0	-65.54	429.73	8.92	-56.62
C[NH+]1CCN(C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734397	1	57	0.0	-68.50	431.78	6.61	-61.89
C[NH+]1CCN(C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734398	1	57	0.0	-65.85	429.14	7.04	-58.81
C[NH+]1CCN(C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C2=CC=CS2)CC1	REAL300013734399	1	55	0.0	-64.58	420.84	4.06	-60.52
C[NH+]1CCN(C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CS2)CC1	REAL300013734400	1	52	0.0	-71.03	409.84	6.12	-64.91
C[NH+]1CCN(C(CNC(=O)NCC2(C(=O)[O-])CC2)C2=CC=CS2)CC1	REAL300013734401	1	51	0.0	-56.43	399.34	5.67	-50.76
C[NH+]1CCN(C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734402	1	55	0.0	-78.94	414.54	6.50	-72.44
C[NH+]1CCN(C(CNC(=O)N2CC(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734403	1	48	0.0	-63.38	377.36	5.67	-57.71
C[NH+]1CCN(C(CNC(=O)N2CCC(C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013734404	1	51	0.0	-73.72	394.82	6.30	-67.42
C[NH+]1CCN(C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CS2)CC1	REAL300013734405	1	52	0.0	-77.41	412.60	6.85	-70.56
CC(CCC(=O)[O-])NC(=O)NCC(C1=CC=CS1)N1CC[NH+](C)CC1	REAL300013734406	1	53	0.0	-64.36	412.92	5.84	-58.52
COC1=CC=CC=C1N1CCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013734461	1	58	0.0	-40.08	438.67	6.14	-33.94
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCSCC2)CC1	REAL300013734504	1	43	0.0	-36.38	335.58	5.62	-30.76
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(OC3CCCCC3)C=C2)CC1	REAL300013734558	1	59	0.0	-39.94	443.80	9.00	-30.94
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCOC3=CC=CC=C32)CC1	REAL300013734652	1	50	0.0	-35.07	376.40	7.90	-27.17
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1F	REAL300013734727	1	51	0.0	-43.31	384.86	8.14	-35.17
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=NN(C3=CC=CC=C3)C=C2)CC1	REAL300013734802	1	52	0.0	-48.05	413.09	8.11	-39.94
CC(C)CCOC1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013734875	1	61	0.0	-40.83	462.54	9.45	-31.38
CC(C)COCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CO1	REAL300013734942	1	55	0.0	-37.51	429.94	6.81	-30.70
CC1=C(Cl)C=CC=C1NC(=O)CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013735015	1	52	0.0	-44.52	419.58	6.52	-38.00
O=C([O-])C[NH+]1CCC(NC(=O)NCCNC(=O)CC2CCCCC2)CC1	REAL300013735091	1	58	0.0	-40.14	433.80	5.63	-34.51
CC1=CC=CC=C1C1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCCC1	REAL300013735181	1	61	0.0	-35.06	428.09	10.00	-25.06
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=C4OCOC4=C3)CC2)CC1	REAL300013735296	1	52	0.0	-38.34	411.06	6.96	-31.38
CC1(C)CN(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCO1	REAL300013735366	1	54	0.0	-37.25	397.55	3.26	-33.99
O=C([O-])C1CCN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CC1	REAL300013735407	0	54	0.0	-81.60	406.20	9.09	-72.51
O=C([O-])C1=CC=C(CNC(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)C=C1	REAL300013735408	0	54	0.0	-86.37	430.22	8.75	-77.62
O=C([O-])C1CN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CCO1	REAL300013735409	0	52	0.0	-87.80	399.84	7.58	-80.22
O=C([O-])C1CCC(NC(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CC1	REAL300013735410	0	57	0.0	-86.78	432.87	8.42	-78.36
O=C([O-])CCCCNC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013735411	0	53	0.0	-84.62	413.98	7.42	-77.20
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)=CC=C1	REAL300013735412	0	54	0.0	-86.58	430.69	8.77	-77.81
O=C([O-])CCNC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013735413	0	47	0.0	-81.61	370.98	5.85	-75.76
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CC(C)(CNC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013735415	0	53	0.0	-84.76	406.42	7.30	-77.46
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)C1	REAL300013735416	0	54	0.0	-84.59	413.77	8.72	-75.87
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)C1	REAL300013735417	0	57	0.0	-70.78	427.70	9.71	-61.07
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CC1	REAL300013735418	0	57	0.0	-84.08	420.31	9.45	-74.63
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CC1CCN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CC1C(=O)[O-]	REAL300013735420	0	57	0.0	-87.05	416.82	9.34	-77.71
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O=C([O-])CCC1CCCCN1C(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013735445	0	60	0.0	-87.41	440.59	10.51	-76.90
O=C([O-])CCCCCCCNC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013735446	0	62	0.0	-85.72	478.47	9.77	-75.95
O=C([O-])CCCCCCNC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013735447	0	59	0.0	-86.34	456.97	8.98	-77.36
CN(CCCC(=O)[O-])C(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013735448	0	53	0.0	-83.08	410.11	9.04	-74.04
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)C1	REAL300013735449	0	57	0.0	-88.03	422.33	9.91	-78.12
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013735450	0	57	0.0	-69.73	441.80	8.38	-61.35
O=C([O-])CCC1CCCN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)C1	REAL300013735451	0	60	0.0	-86.89	447.37	10.54	-76.35
O=C([O-])C(=O)N1CCN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CC1	REAL300013735452	0	55	0.0	-78.58	419.85	7.93	-70.65
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013735453	0	57	0.0	-71.07	423.66	9.73	-61.34
O=C([O-])C1(O)CCCN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)C1	REAL300013735454	0	55	0.0	-84.75	417.11	6.70	-78.05
O=C([O-])C12CC(NC(=O)NC3CC[NH+](CCC4=CC=NC=C4)CC3)(C1)C2	REAL300013735455	0	52	0.0	-86.55	408.14	7.46	-79.09
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CC1	REAL300013735456	0	57	0.0	-77.03	428.88	8.89	-68.14
O=C([O-])[C@H]1CC[C@H](CNC(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CC1	REAL300013735457	0	60	0.0	-85.06	451.75	9.15	-75.91
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O=C([O-])COC1CCN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CC1	REAL300013735459	0	58	0.0	-85.27	441.28	9.18	-76.09
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)C1	REAL300013735460	0	57	0.0	-81.69	432.34	8.41	-73.28
O=C([O-])C1CCCC(NC(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)C1	REAL300013735461	0	57	0.0	-78.74	428.44	8.84	-69.90
O=C([O-])C1(CNC(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CCCOC1	REAL300013735462	0	58	0.0	-73.27	434.80	7.00	-66.27
O=C([O-])C1(CNC(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CCOC1	REAL300013735463	0	55	0.0	-74.64	419.62	5.97	-68.67
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1CC[NH+](CCC3=CC=NC=C3)CC1)C2	REAL300013735464	0	52	0.0	-81.73	409.39	7.92	-73.81
O=C([O-])C1(CNC(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CC1	REAL300013735465	0	51	0.0	-72.08	398.57	7.62	-64.46
O=C([O-])C1CN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CC12CCC2	REAL300013735466	0	58	0.0	-76.51	436.39	10.00	-66.51
CC1(C(=O)[O-])CN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CCO1	REAL300013735467	0	55	0.0	-88.49	415.30	8.37	-80.12
O=C([O-])C1CN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)C1	REAL300013735468	0	48	0.0	-76.12	379.16	7.45	-68.67
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)C1	REAL300013735469	0	58	0.0	-71.98	438.07	8.19	-63.79
O=C([O-])C1CCN(C(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)C1	REAL300013735470	0	51	0.0	-83.50	393.59	8.21	-75.29
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1CC[NH+](CCC3=CC=NC=C3)CC1)C2	REAL300013735471	0	52	0.0	-86.27	408.81	7.96	-78.31
CC(CCC(=O)[O-])NC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013735472	0	53	0.0	-77.29	412.24	7.64	-69.65
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCN(C(=O)C3=CC=CC=C3)C2)CC1	REAL300013735504	1	56	0.0	-45.94	425.19	7.49	-38.45
CC1=CC=C(OCCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013735570	1	52	0.0	-37.70	405.62	7.27	-30.43
CC(CC1=CC=C(Cl)C=C1Cl)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013735644	1	48	0.0	-43.65	404.46	8.87	-34.78
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCCC3=CC=CC=C32)CC1	REAL300013735710	1	52	0.0	-37.02	386.03	9.02	-28.00
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(OC3=CC=CC=C3)C=C2)CC1	REAL300013735786	1	53	0.0	-38.18	422.13	9.11	-29.07
CC1=CC=CC=C1C(C)(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013735855	1	54	0.0	-41.67	393.04	8.38	-33.29
CN(C)C1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013735930	1	53	0.0	-42.55	406.77	7.44	-35.11
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(C)C=C1	REAL300013736002	1	51	0.0	-35.28	385.89	8.18	-27.10
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300013736125	1	56	0.0	-42.36	440.10	9.96	-32.40
CC(C)CC1=CC=C(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2CC2)C=C1	REAL300013736191	1	61	0.0	-34.98	453.88	11.59	-23.39
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CCCCC1	REAL300013736246	1	54	0.0	-34.16	383.54	7.95	-26.21
CCOC1=CC=CC=C1C(CC)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013736314	1	55	0.0	-37.18	413.61	7.83	-29.35
CC1=NOC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013736395	1	43	0.0	-46.32	346.22	2.65	-43.67
CC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])CC2)[NH+]2CCCC2)O1	REAL300013736421	0	52	0.0	-68.29	386.31	8.97	-59.32
CC1=CC=C(C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)[NH+]2CCCC2)O1	REAL300013736422	0	52	0.0	-73.64	410.86	8.61	-65.03
CC1=CC=C(C(CNC(=O)N2CCOC(C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736423	0	50	0.0	-54.50	379.41	7.43	-47.07
CC1=CC=C(C(CNC(=O)NC2CCC(C(=O)[O-])CC2)[NH+]2CCCC2)O1	REAL300013736424	0	55	0.0	-61.18	407.36	8.67	-52.51
CC1=CC=C(C(CNC(=O)NCCCCC(=O)[O-])[NH+]2CCCC2)O1	REAL300013736425	0	51	0.0	-73.50	394.23	7.27	-66.23
CC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+]2CCCC2)O1	REAL300013736426	0	52	0.0	-71.08	410.48	8.59	-62.49
CC1=CC=C(C(CNC(=O)NCCC(=O)[O-])[NH+]2CCCC2)O1	REAL300013736427	0	45	0.0	-68.93	351.23	5.69	-63.24
CC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+]2CCCC2)O1	REAL300013736428	0	54	0.0	-71.82	415.73	8.05	-63.77
CC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300013736429	0	51	0.0	-73.09	386.67	7.15	-65.94
CC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736430	0	52	0.0	-72.95	391.21	8.60	-64.35
CC1=CC=C(C(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736431	0	55	0.0	-51.56	403.80	9.79	-41.77
CC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+]2CCCC2)O1	REAL300013736432	0	55	0.0	-70.11	399.65	9.17	-60.94
CC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+]2CCCC2)O1	REAL300013736433	0	48	0.0	-66.35	372.73	6.49	-59.86
CC1=CC=C(C(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736434	0	55	0.0	-49.58	402.51	9.36	-40.22
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)[NH+]2CCCC2)O1	REAL300013736435	0	56	0.0	-53.57	413.80	6.48	-47.09
CC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300013736436	0	54	0.0	-67.33	406.02	7.37	-59.96
CCC(CC)(CNC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300013736437	0	57	0.0	-56.61	416.36	8.52	-48.09
CC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300013736438	0	48	0.0	-70.53	369.77	6.46	-64.07
CC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]2CCCC2)O1	REAL300013736439	0	54	0.0	-56.97	408.51	7.66	-49.31
CC1=CC=C(C(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)[NH+]2CCCC2)O1	REAL300013736440	0	61	0.0	-76.83	446.70	9.11	-67.72
CC1=CC=C(C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)O1	REAL300013736441	0	58	0.0	-55.03	438.07	10.02	-45.01
CC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736442	0	52	0.0	-62.31	394.54	7.76	-54.55
CC1=CC=C(C(CNC(=O)N2CCC(CCC(=O)[O-])CC2)[NH+]2CCCC2)O1	REAL300013736443	0	58	0.0	-71.29	427.16	10.44	-60.85
CC1=CC=C(C(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736444	0	54	0.0	-68.76	405.29	7.16	-61.60
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)O1	REAL300013736445	0	55	0.0	-54.79	411.17	8.55	-46.24
CC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)[NH+]2CCCC2)O1	REAL300013736446	0	55	0.0	-68.59	399.71	9.64	-58.95
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCC2)[NH+]2CCCC2)O1	REAL300013736447	0	52	0.0	-52.77	394.11	7.70	-45.07
CC1=CC=C(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)[NH+]2CCCC2)O1	REAL300013736448	0	55	0.0	-71.37	418.09	8.48	-62.89
CC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+]2CCCC2)O1	REAL300013736449	0	55	0.0	-70.11	399.65	9.17	-60.94
CC1=CC=C(C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+]2CCCC2)O1	REAL300013736450	0	60	0.0	-62.77	444.20	9.00	-53.77
CC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+]2CCCC2)O1	REAL300013736451	0	52	0.0	-60.01	404.09	8.72	-51.29
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=C(C)O2)[NH+]2CCCC2)C1	REAL300013736452	0	56	0.0	-69.62	424.93	7.67	-61.95
CC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736453	0	49	0.0	-66.16	378.20	7.07	-59.09
CC1=CC=C(C(CNC(=O)NC2CCN(CC(=O)[O-])CC2)[NH+]2CCCC2)O1	REAL300013736454	0	57	0.0	-70.80	426.33	6.13	-64.67
CC1=CC=C(C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736455	0	52	0.0	-50.04	386.56	8.97	-41.07
CC1=CC=C(C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736456	0	52	0.0	-71.96	395.66	8.98	-62.98
CC1=CC=C(C(CNC(=O)NC2CC(C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736457	0	49	0.0	-66.25	378.20	7.06	-59.19
CC1=CC=C(C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736458	0	49	0.0	-69.74	377.75	7.08	-62.66
CC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+]2CCCC2)O1	REAL300013736459	0	52	0.0	-71.08	410.48	8.59	-62.49
CCC(CNC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300013736460	0	51	0.0	-53.84	385.93	7.34	-46.50
CC1=CC=C(C(CNC(=O)N2CCCCC2CCC(=O)[O-])[NH+]2CCCC2)O1	REAL300013736461	0	58	0.0	-78.52	420.87	10.35	-68.17
CC1=CC=C(C(CNC(=O)NCCCCCCCC(=O)[O-])[NH+]2CCCC2)O1	REAL300013736462	0	60	0.0	-74.59	458.73	9.61	-64.98
CC1=CC=C(C(CNC(=O)NCCCCCCC(=O)[O-])[NH+]2CCCC2)O1	REAL300013736463	0	57	0.0	-75.68	437.23	8.83	-66.85
CC1=CC=C(C(CNC(=O)N(C)CCCC(=O)[O-])[NH+]2CCCC2)O1	REAL300013736464	0	51	0.0	-71.49	390.73	8.90	-62.59
CC1=CC=C(C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736465	0	55	0.0	-76.92	401.95	9.76	-67.16
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=C(C)O2)[NH+]2CCCC2)C1	REAL300013736466	0	59	0.0	-81.48	434.75	8.87	-72.61
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1	REAL300013736467	0	55	0.0	-47.78	422.42	8.25	-39.53
CC1=CC=C(C(CNC(=O)N2CCCC(CCC(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736468	0	58	0.0	-77.28	427.48	10.38	-66.90
CC1=CC=C(C(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736469	0	56	0.0	-74.64	420.37	11.74	-62.90
CC1=CC=C(C(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)[NH+]2CCCC2)O1	REAL300013736470	0	53	0.0	-64.52	400.05	7.71	-56.81
CC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])CCC2C)[NH+]2CCCC2)O1	REAL300013736471	0	55	0.0	-49.77	402.51	9.54	-40.23
CC1=CC=C(C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736472	0	53	0.0	-53.10	397.34	6.53	-46.57
CC1=CC=C(C(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)[NH+]2CCCC2)O1	REAL300013736473	0	56	0.0	-71.19	442.31	9.82	-61.37
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=C(C)O2)[NH+]2CCCC2)CC1	REAL300013736474	0	59	0.0	-73.30	430.63	9.11	-64.19
CC1=CC=C(C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)[NH+]2CCCC2)O1	REAL300013736475	0	50	0.0	-76.69	387.37	7.25	-69.44
CC1=CC=C(C(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)[NH+]2CCCC2)O1	REAL300013736476	0	61	0.0	-65.59	433.84	9.23	-56.36
CC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)[NH+]2CCCC2)O1	REAL300013736477	0	55	0.0	-63.46	407.36	8.68	-54.78
CC1=CC=C(C(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)[NH+]2CCCC2)O1	REAL300013736478	0	58	0.0	-73.22	431.95	8.99	-64.23
CC1=CC=C(C(CNC(=O)N2CCC(CC(=O)[O-])CC2)[NH+]2CCCC2)O1	REAL300013736479	0	55	0.0	-62.41	404.85	9.66	-52.75
CC1=CC=C(C(CNC(=O)N2CCC(OCC(=O)[O-])CC2)[NH+]2CCCC2)O1	REAL300013736480	0	56	0.0	-73.90	421.38	9.06	-64.84
CC1=CC=C(C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736481	0	55	0.0	-67.74	421.60	8.26	-59.48
CC1=CC=C(C(CNC(=O)NC2CCCC(C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736482	0	55	0.0	-65.43	408.68	8.72	-56.71
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCOC2)[NH+]2CCCC2)O1	REAL300013736483	0	56	0.0	-60.61	417.78	7.09	-53.52
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOC2)[NH+]2CCCC2)O1	REAL300013736484	0	53	0.0	-54.74	400.25	5.84	-48.90
CC1=CC=C(C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+]2CCCC2)O1	REAL300013736485	0	50	0.0	-66.84	389.74	7.80	-59.04
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CC2)[NH+]2CCCC2)O1	REAL300013736486	0	49	0.0	-51.68	378.18	7.40	-44.28
CC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)[NH+]2CCCC2)O1	REAL300013736487	0	56	0.0	-59.52	416.15	9.76	-49.76
CC1=CC=C(C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736488	0	53	0.0	-76.91	395.55	8.23	-68.68
CC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736489	0	46	0.0	-60.97	358.40	7.22	-53.75
COC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=C(C)O2)[NH+]2CCCC2)C1	REAL300013736490	0	56	0.0	-76.15	418.37	7.77	-68.38
CC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013736491	0	49	0.0	-71.40	373.75	8.02	-63.38
CC1=CC=C(C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+]2CCCC2)O1	REAL300013736492	0	50	0.0	-74.86	389.01	7.81	-67.05
CC1=CC=C(C(CNC(=O)NC(C)CCC(=O)[O-])[NH+]2CCCC2)O1	REAL300013736493	0	51	0.0	-64.22	392.86	7.52	-56.70
CCS(=O)(=O)NCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013736536	1	46	0.0	-45.44	372.85	0.27	-45.17
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C3OCCC3=C2)CC1	REAL300013736603	1	47	0.0	-41.38	368.65	6.09	-35.29
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1OC1=CC=CC=C1	REAL300013736674	1	56	0.0	-39.74	436.18	9.94	-29.80
CC[NH+]1CCC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013736736	0	48	0.0	-76.51	374.29	7.47	-69.04
CC[NH+]1CCC(CNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013736737	0	51	0.0	-67.76	371.18	7.54	-60.22
CC[NH+]1CCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013736738	0	48	0.0	-77.33	374.30	7.44	-69.89
CC[NH+]1CCC(CNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013736739	0	58	0.0	-78.94	426.37	11.28	-67.66
CC[NH+]1CCC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013736740	0	51	0.0	-60.13	371.34	8.40	-51.73
CC[NH+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013736741	0	51	0.0	-75.99	364.42	8.15	-67.84
CC[NH+]1CCC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013736742	0	51	0.0	-60.00	366.43	8.27	-51.73
CC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013736743	0	52	0.0	-66.70	376.62	5.52	-61.18
CC[NH+]1CCC(CNC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013736744	0	53	0.0	-65.40	379.48	7.38	-58.02
CC[NH+]1CCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013736745	0	57	0.0	-79.52	409.32	7.91	-71.61
CC[NH+]1CCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013736746	0	54	0.0	-65.07	401.50	8.87	-56.20
CC[NH+]1CCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013736747	0	54	0.0	-77.07	391.02	9.29	-67.78
CC[NH+]1CCC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013736748	0	50	0.0	-74.62	367.71	6.13	-68.49
CC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013736749	0	51	0.0	-66.80	374.99	7.40	-59.40
CC[NH+]1CCC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013736750	0	51	0.0	-73.47	363.70	8.57	-64.90
CC[NH+]1CCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013736751	0	51	0.0	-76.64	382.03	7.33	-69.31
CC[NH+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013736752	0	51	0.0	-75.99	364.42	8.15	-67.84
CC[NH+]1CCC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013736753	0	56	0.0	-68.56	408.43	7.96	-60.60
CC[NH+]1CCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013736754	0	48	0.0	-71.20	367.89	7.57	-63.63
CC[NH+]1CCC(CNC(=O)N2CCC(COC)(C(=O)[O-])C2)CC1	REAL300013736755	0	52	0.0	-78.89	388.24	6.53	-72.36
CC[NH+]1CCC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013736756	0	53	0.0	-73.52	390.04	5.00	-68.52
CC[NH+]1CCC(CNC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)CC1	REAL300013736757	0	58	0.0	-79.86	428.51	9.31	-70.55
CC[NH+]1CCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013736758	0	48	0.0	-77.33	374.30	7.44	-69.89
CC[NH+]1CCC(CNC(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)CC1	REAL300013736759	0	58	0.0	-69.82	434.82	9.33	-60.49
CC[NH+]1CCC(CNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013736760	0	54	0.0	-83.21	384.36	9.22	-73.99
CC[NH+]1CCC(CNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013736761	0	56	0.0	-76.92	422.53	8.47	-68.45
CC[NH+]1CCC(CNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013736762	0	53	0.0	-77.99	401.03	7.69	-70.30
CC[NH+]1CCC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013736763	0	51	0.0	-80.86	366.25	8.57	-72.29
CC[NH+]1CCC(CNC(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300013736764	0	55	0.0	-83.49	397.38	8.38	-75.11
CC[NH+]1CCC(CNC(=O)N(CCOC)CCC(=O)[O-])CC1	REAL300013736765	0	51	0.0	-59.20	385.85	7.11	-52.09
CC[NH+]1CCC(CNC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)CC1	REAL300013736766	0	57	0.0	-81.88	423.02	9.34	-72.54
CC[NH+]1CCC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013736767	0	54	0.0	-79.81	391.35	9.28	-70.53
CC[NH+]1CCC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013736768	0	52	0.0	-83.91	383.63	10.59	-73.32
CC[NH+]1CCC(CNC(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)CC1	REAL300013736769	0	59	0.0	-68.84	440.64	7.57	-61.27
CC[NH+]1CCC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013736770	0	49	0.0	-72.50	363.46	6.62	-65.88
CC[NH+]1CCC(CNC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013736771	0	51	0.0	-58.97	365.07	8.42	-50.55
CC[NH+]1CCC(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013736772	0	55	0.0	-66.52	413.24	10.41	-56.11
CC[NH+]1CCC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013736773	0	49	0.0	-77.62	360.67	5.39	-72.23
CC[NH+]1CCC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013736774	0	52	0.0	-72.99	394.66	8.60	-64.39
CC[NH+]1CCC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013736775	0	55	0.0	-86.88	402.60	7.68	-79.20
CC[NH+]1CCC(CNC(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300013736776	0	55	0.0	-78.63	394.60	8.01	-70.62
CC[NH+]1CCC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013736777	0	57	0.0	-71.19	397.95	8.11	-63.08
CC[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013736778	0	51	0.0	-68.92	371.18	7.54	-61.38
CC[NH+]1CCC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013736779	0	54	0.0	-75.83	395.35	7.83	-68.00
CC[NH+]1CCC(CNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013736780	0	51	0.0	-76.50	368.71	8.51	-67.99
CC[NH+]1CCC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013736781	0	52	0.0	-77.27	385.27	7.92	-69.35
CC[NH+]1CCC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013736782	0	51	0.0	-72.32	376.90	7.16	-65.16
CC[NH+]1CCC(CNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013736783	0	51	0.0	-72.12	376.39	7.13	-64.99
CC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013736784	0	52	0.0	-69.71	381.73	5.99	-63.72
CC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013736785	0	49	0.0	-64.21	363.68	4.68	-59.53
CC[NH+]1CCC(CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013736786	0	60	0.0	-76.05	449.50	9.84	-66.21
CC[NH+]1CCC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013736787	0	52	0.0	-65.49	378.79	8.62	-56.87
CC[NH+]1CCC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013736788	0	48	0.0	-68.40	371.01	7.69	-60.71
CC[NH+]1CCC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013736789	0	49	0.0	-80.47	358.89	7.08	-73.39
CC[NH+]1CCC(CNC(=O)N2CC(OC)CC(C(=O)[O-])C2)CC1	REAL300013736790	0	52	0.0	-62.93	382.04	6.93	-56.00
CC[NH+]1CCC(CNC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)CC1	REAL300013736791	0	57	0.0	-78.44	429.49	6.40	-72.04
CC(NC(=O)N1CCC(C(=O)[O-])CC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736792	0	57	0.0	-76.55	427.70	9.56	-66.99
CC(NC(=O)N1CCOC(C(=O)[O-])C1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736793	0	55	0.0	-78.31	420.90	8.02	-70.29
CC(NC(=O)NCCCCC(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736794	0	56	0.0	-76.76	436.85	7.95	-68.81
CC(NC(=O)NCCC(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736795	0	50	0.0	-73.80	393.86	6.38	-67.42
CC(NC(=O)NCCCCCC(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736796	0	59	0.0	-77.11	458.35	8.74	-68.37
CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736797	0	56	0.0	-75.75	428.71	7.85	-67.90
CC(NC(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736798	0	57	0.0	-78.32	431.38	9.19	-69.13
CC(NC(=O)NCCCC(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736799	0	53	0.0	-74.13	415.35	7.17	-66.96
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736800	0	59	0.0	-75.50	448.06	8.05	-67.45
CC(CNC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013736801	0	53	0.0	-74.80	412.40	7.14	-67.66
CC(C)C(CNC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013736802	0	59	0.0	-74.81	451.15	8.33	-66.48
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736803	0	57	0.0	-74.89	436.73	8.46	-66.43
CC(NC(=O)NCC1(C(=O)[O-])CCC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736804	0	57	0.0	-72.08	435.48	8.31	-63.77
CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736805	0	54	0.0	-74.64	420.50	7.74	-66.90
CC(NC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736806	0	57	0.0	-73.33	429.21	9.66	-63.67
CC(NC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736807	0	57	0.0	-74.67	429.28	9.61	-65.06
CC(NC(=O)NC1CC(C(=O)[O-])C1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736808	0	54	0.0	-75.47	420.82	7.73	-67.74
CC(NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736809	0	54	0.0	-76.23	419.48	7.72	-68.51
CCC(CNC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013736810	0	56	0.0	-69.92	429.34	7.94	-61.98
CC(NC(=O)N(C)CCCC(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736811	0	56	0.0	-74.72	432.98	9.57	-65.15
CC(NC(=O)NC12CC(C(=O)[O-])(C1)C2)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736812	0	55	0.0	-76.61	430.57	7.97	-68.64
CC(NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736813	0	55	0.0	-76.98	430.73	8.39	-68.59
CC(NC(=O)NCC1(C(=O)[O-])CC1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736814	0	54	0.0	-71.59	419.74	8.04	-63.55
CC(NC(=O)N1CC(C(=O)[O-])C1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736815	0	51	0.0	-71.31	401.60	7.94	-63.37
CC(NC(=O)N1CCC(C(=O)[O-])C1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736816	0	54	0.0	-75.58	415.24	8.66	-66.92
CC(NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736817	0	55	0.0	-79.06	430.32	8.40	-70.66
CC(CCC(=O)[O-])NC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013736818	0	56	0.0	-72.78	435.11	8.17	-64.61
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)NCCCCC(=O)[O-])CC1	REAL300013736819	0	59	0.0	-75.39	454.59	8.63	-66.76
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)NCCC(=O)[O-])CC1	REAL300013736820	0	53	0.0	-72.58	411.59	7.06	-65.52
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013736821	0	59	0.0	-74.50	446.45	8.53	-65.97
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)NCCCC(=O)[O-])CC1	REAL300013736822	0	56	0.0	-72.82	433.09	7.85	-64.97
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)NCC(C)C(=O)[O-])CC1	REAL300013736823	0	56	0.0	-73.55	430.14	7.81	-65.74
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013736824	0	57	0.0	-73.51	437.73	8.37	-65.14
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013736825	0	57	0.0	-73.38	437.31	8.34	-65.04
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013736826	0	57	0.0	-73.98	438.46	8.47	-65.51
CCC(CNC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](CC)CC1)C(=O)[O-]	REAL300013736827	0	59	0.0	-71.02	452.09	8.52	-62.50
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013736828	0	59	0.0	-73.53	450.72	10.26	-63.27
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013736829	0	57	0.0	-70.92	438.73	8.80	-62.12
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013736830	0	54	0.0	-70.18	418.37	8.56	-61.62
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013736831	0	57	0.0	-74.05	432.98	9.34	-64.71
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)NC(C)CCC(=O)[O-])CC1	REAL300013736832	0	59	0.0	-71.51	452.85	8.85	-62.66
CC1=NOC(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013736844	1	43	0.0	-37.59	345.07	2.65	-34.94
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(F)C(Cl)=C2)CC1	REAL300013736901	1	42	0.0	-37.63	355.35	6.79	-30.84
CCC1=CC=CC2=C1OCCC2NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013736982	1	53	0.0	-36.45	404.58	7.97	-28.48
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013737025	0	55	0.0	-74.80	409.57	7.16	-67.64
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013737025	1	55	0.0	-74.62	409.14	7.27	-67.35
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013737026	0	55	0.0	-78.78	433.70	6.82	-71.96
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013737026	1	55	0.0	-79.44	432.61	6.83	-72.61
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013737027	0	53	0.0	-66.64	402.07	5.64	-61.00
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013737027	1	53	0.0	-81.30	400.71	5.68	-75.62
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013737028	0	58	0.0	-71.70	430.88	6.89	-64.81
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013737028	1	58	0.0	-80.68	434.83	6.53	-74.15
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCCCCC(=O)[O-]	REAL300013737029	0	54	0.0	-77.59	417.74	5.49	-72.10
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCCCCC(=O)[O-]	REAL300013737029	1	54	0.0	-78.64	416.34	5.50	-73.14
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013737030	0	55	0.0	-79.79	434.01	6.81	-72.98
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013737030	1	55	0.0	-78.08	432.20	6.82	-71.26
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCCC(=O)[O-]	REAL300013737031	0	48	0.0	-74.54	374.74	3.91	-70.63
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCCC(=O)[O-]	REAL300013737031	1	48	0.0	-75.78	373.35	3.92	-71.86
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCCCCCC(=O)[O-]	REAL300013737032	0	57	0.0	-76.63	439.24	6.27	-70.36
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCCCCCC(=O)[O-]	REAL300013737032	1	57	0.0	-77.50	437.84	6.28	-71.22
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013737033	0	54	0.0	-77.18	409.59	5.40	-71.78
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013737033	1	54	0.0	-78.64	407.82	5.41	-73.23
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013737034	0	55	0.0	-77.35	417.50	6.75	-70.60
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013737034	1	55	0.0	-78.61	413.17	6.76	-71.85
CC1CC(C(=O)[O-])CN(C(=O)NCCC[N@@H+]2CCCC2C(=O)N(C)C)C1	REAL300013737035	0	58	0.0	-64.94	426.14	8.06	-56.88
CC1CC(C(=O)[O-])CN(C(=O)NCCC[N@H+]2CCCC2C(=O)N(C)C)C1	REAL300013737035	1	58	0.0	-63.72	431.00	7.74	-55.98
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013737036	0	58	0.0	-75.46	422.34	7.44	-68.02
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013737036	1	58	0.0	-75.95	421.56	7.46	-68.49
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCCCC(=O)[O-]	REAL300013737037	0	51	0.0	-72.55	397.27	4.75	-67.80
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCCCC(=O)[O-]	REAL300013737037	1	51	0.0	-73.40	394.44	4.73	-68.67
CC1CCN(C(=O)NCCC[N@@H+]2CCCC2C(=O)N(C)C)CC1C(=O)[O-]	REAL300013737038	0	58	0.0	-64.97	428.63	7.79	-57.18
CC1CCN(C(=O)NCCC[N@H+]2CCCC2C(=O)N(C)C)CC1C(=O)[O-]	REAL300013737038	1	58	0.0	-79.28	425.92	7.63	-71.65
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013737039	0	59	0.0	-70.04	430.63	4.54	-65.50
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013737039	1	59	0.0	-71.05	431.21	4.56	-66.49
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013737040	0	57	0.0	-73.63	429.92	5.58	-68.05
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013737040	1	57	0.0	-74.36	427.14	5.60	-68.76
CCC(CC)(CNC(=O)NCCC[N@@H+]1CCCC1C(=O)N(C)C)C(=O)[O-]	REAL300013737041	0	60	0.0	-69.97	434.00	6.37	-63.60
CCC(CC)(CNC(=O)NCCC[N@H+]1CCCC1C(=O)N(C)C)C(=O)[O-]	REAL300013737041	1	60	0.0	-64.65	437.13	6.55	-58.10
CC(CNC(=O)NCCC[N@@H+]1CCCC1C(=O)N(C)C)C(=O)[O-]	REAL300013737042	0	51	0.0	-80.96	388.57	4.32	-76.64
CC(CNC(=O)NCCC[N@H+]1CCCC1C(=O)N(C)C)C(=O)[O-]	REAL300013737042	1	51	0.0	-76.22	392.95	4.71	-71.51
CC(C)C(CNC(=O)NCCC[N@@H+]1CCCC1C(=O)N(C)C)C(=O)[O-]	REAL300013737043	0	57	0.0	-70.93	430.23	5.87	-65.06
CC(C)C(CNC(=O)NCCC[N@H+]1CCCC1C(=O)N(C)C)C(=O)[O-]	REAL300013737043	1	57	0.0	-69.81	433.06	5.91	-63.90
CC(NC(=O)NCCC[N@@H+]1CCCC1C(=O)N(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013737044	0	64	0.0	-79.47	472.08	7.78	-71.69
CC(NC(=O)NCCC[N@H+]1CCCC1C(=O)N(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013737044	1	64	0.0	-82.04	470.19	7.75	-74.29
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013737045	0	55	0.0	-73.03	413.40	5.64	-67.39
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013737045	1	55	0.0	-71.14	414.54	5.87	-65.27
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013737046	0	61	0.0	-76.39	448.39	8.61	-67.78
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013737046	1	61	0.0	-75.30	448.33	8.68	-66.62
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013737047	0	57	0.0	-79.77	421.70	5.11	-74.66
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013737047	1	57	0.0	-79.92	421.72	5.12	-74.80
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013737048	0	58	0.0	-70.25	429.73	6.43	-63.82
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013737048	1	58	0.0	-71.25	429.64	6.43	-64.82
CC1CN(C(=O)NCCC[N@@H+]2CCCC2C(=O)N(C)C)CCC1C(=O)[O-]	REAL300013737049	0	58	0.0	-73.59	422.86	8.03	-65.56
CC1CN(C(=O)NCCC[N@H+]2CCCC2C(=O)N(C)C)CCC1C(=O)[O-]	REAL300013737049	1	58	0.0	-74.19	429.68	7.77	-66.42
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013737050	0	55	0.0	-66.64	417.25	5.94	-60.70
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013737050	1	55	0.0	-65.48	415.05	6.08	-59.40
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013737051	0	58	0.0	-75.38	441.64	6.68	-68.70
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013737051	1	58	0.0	-76.64	440.42	6.79	-69.85
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013737052	0	58	0.0	-75.46	422.34	7.44	-68.02
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013737052	1	58	0.0	-75.95	421.56	7.46	-68.49
CC(C)C[C@H](CNC(=O)NCCC[N@@H+]1CCCC1C(=O)N(C)C)CC(=O)[O-]	REAL300013737053	0	63	0.0	-76.65	461.36	7.10	-69.55
CC(C)C[C@H](CNC(=O)NCCC[N@H+]1CCCC1C(=O)N(C)C)CC(=O)[O-]	REAL300013737053	1	63	0.0	-70.38	468.72	7.32	-63.06
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013737054	0	55	0.0	-74.40	427.61	6.92	-67.48
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013737054	1	55	0.0	-72.08	425.36	6.94	-65.14
COCC1(C(=O)[O-])CCN(C(=O)NCCC[N@@H+]2CCCC2C(=O)N(C)C)C1	REAL300013737055	0	59	0.0	-82.35	443.73	6.43	-75.92
COCC1(C(=O)[O-])CCN(C(=O)NCCC[N@H+]2CCCC2C(=O)N(C)C)C1	REAL300013737055	1	59	0.0	-74.70	446.64	6.57	-68.13
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013737056	0	52	0.0	-76.82	396.33	4.94	-71.88
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013737056	1	52	0.0	-73.41	399.53	5.28	-68.13
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013737057	0	60	0.0	-78.24	448.94	4.34	-73.90
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013737057	1	60	0.0	-76.00	447.95	4.37	-71.63
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013737058	0	55	0.0	-65.17	408.87	7.21	-57.96
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013737058	1	55	0.0	-63.68	408.58	7.22	-56.46
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013737059	0	55	0.0	-85.80	405.82	6.89	-78.91
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013737059	1	55	0.0	-80.25	411.24	7.19	-73.06
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NC1CC(C(=O)[O-])C1	REAL300013737060	0	52	0.0	-76.30	397.48	4.95	-71.35
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NC1CC(C(=O)[O-])C1	REAL300013737060	1	52	0.0	-78.65	395.80	5.01	-73.64
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013737061	0	52	0.0	-78.63	395.54	4.98	-73.65
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013737061	1	52	0.0	-78.34	396.87	4.99	-73.35
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013737062	0	55	0.0	-79.79	434.01	6.81	-72.98
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013737062	1	55	0.0	-78.08	432.20	6.82	-71.26
CCC(CNC(=O)NCCC[N@@H+]1CCCC1C(=O)N(C)C)C(=O)[O-]	REAL300013737063	0	54	0.0	-70.38	413.43	5.40	-64.98
CCC(CNC(=O)NCCC[N@H+]1CCCC1C(=O)N(C)C)C(=O)[O-]	REAL300013737063	1	54	0.0	-65.07	410.23	5.47	-59.60
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013737064	0	61	0.0	-81.33	443.40	8.54	-72.79
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013737064	1	61	0.0	-89.19	439.92	8.26	-80.93
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013737065	0	63	0.0	-78.54	483.27	7.87	-70.67
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013737065	1	63	0.0	-79.40	480.43	7.86	-71.54
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCCCCCCC(=O)[O-]	REAL300013737066	0	60	0.0	-79.29	460.73	7.05	-72.24
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCCCCCCC(=O)[O-]	REAL300013737066	1	60	0.0	-80.31	458.48	7.09	-73.22
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N(C)CCCC(=O)[O-]	REAL300013737067	0	54	0.0	-76.31	414.27	7.09	-69.22
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N(C)CCCC(=O)[O-]	REAL300013737067	1	54	0.0	-77.16	411.66	7.14	-70.02
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013737068	0	58	0.0	-81.02	426.14	7.93	-73.09
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013737068	1	58	0.0	-81.94	423.74	7.96	-73.98
COCC1(C(=O)[O-])CCCN(C(=O)NCCC[N@@H+]2CCCC2C(=O)N(C)C)C1	REAL300013737069	0	62	0.0	-66.00	454.41	7.85	-58.15
COCC1(C(=O)[O-])CCCN(C(=O)NCCC[N@H+]2CCCC2C(=O)N(C)C)C1	REAL300013737069	1	62	0.0	-84.34	456.50	7.65	-76.69
COCCN(CCC(=O)[O-])C(=O)NCCC[N@@H+]1CCCC1C(=O)N(C)C	REAL300013737070	0	58	0.0	-61.11	438.99	6.71	-54.40
COCCN(CCC(=O)[O-])C(=O)NCCC[N@H+]1CCCC1C(=O)N(C)C	REAL300013737070	1	58	0.0	-63.10	445.26	6.47	-56.63
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013737071	0	61	0.0	-80.04	450.05	8.61	-71.43
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013737071	1	61	0.0	-81.15	449.70	8.65	-72.50
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013737072	0	56	0.0	-72.97	420.00	5.83	-67.14
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013737072	1	56	0.0	-71.24	421.85	5.96	-65.28
CC1CCC(C(=O)[O-])CN1C(=O)NCCC[N@@H+]1CCCC1C(=O)N(C)C	REAL300013737073	0	58	0.0	-62.52	424.50	7.82	-54.70
CC1CCC(C(=O)[O-])CN1C(=O)NCCC[N@H+]1CCCC1C(=O)N(C)C	REAL300013737073	1	58	0.0	-64.10	425.42	7.74	-56.36
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013737074	0	56	0.0	-77.42	419.11	4.73	-72.69
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013737074	1	56	0.0	-79.33	418.18	4.80	-74.53
COCC1(C(=O)[O-])CCN(C(=O)NCCC[N@@H+]2CCCC2C(=O)N(C)C)CC1	REAL300013737075	0	62	0.0	-78.12	452.14	7.41	-70.71
COCC1(C(=O)[O-])CCN(C(=O)NCCC[N@H+]2CCCC2C(=O)N(C)C)CC1	REAL300013737075	1	62	0.0	-77.72	454.14	6.58	-71.14
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013737076	0	53	0.0	-79.26	409.66	5.48	-73.78
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013737076	1	53	0.0	-80.57	409.19	5.53	-75.04
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013737077	0	64	0.0	-84.13	453.15	7.17	-76.96
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013737077	1	64	0.0	-73.89	452.78	7.13	-66.76
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013737078	0	58	0.0	-72.83	429.18	6.90	-65.93
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013737078	1	58	0.0	-73.57	425.77	6.58	-66.99
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013737079	0	61	0.0	-78.72	453.01	7.20	-71.52
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013737079	1	61	0.0	-79.10	454.99	7.23	-71.87
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013737080	0	58	0.0	-77.37	428.04	7.84	-69.53
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013737080	1	58	0.0	-70.00	426.16	7.90	-62.10
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013737081	0	59	0.0	-78.77	444.64	7.25	-71.52
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013737081	1	59	0.0	-78.74	442.73	7.29	-71.45
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013737082	0	58	0.0	-75.41	433.64	6.52	-68.89
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013737082	1	58	0.0	-74.34	434.78	6.50	-67.84
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013737083	0	58	0.0	-74.71	436.51	6.48	-68.23
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013737083	1	58	0.0	-72.86	430.40	6.95	-65.91
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013737084	0	59	0.0	-63.90	437.15	4.96	-58.94
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013737084	1	59	0.0	-66.71	434.90	4.99	-61.72
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013737085	0	56	0.0	-69.11	426.94	4.24	-64.87
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013737085	1	56	0.0	-67.69	424.10	4.22	-63.47
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013737086	0	53	0.0	-76.73	408.18	5.66	-71.07
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013737086	1	53	0.0	-77.15	408.62	5.68	-71.47
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC1(C(=O)[O-])CC1	REAL300013737087	0	52	0.0	-66.63	399.96	5.68	-60.95
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC1(C(=O)[O-])CC1	REAL300013737087	1	52	0.0	-67.52	397.17	5.31	-62.21
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013737088	0	59	0.0	-68.05	436.58	7.92	-60.13
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013737088	1	59	0.0	-69.55	437.90	8.03	-61.52
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013737089	0	56	0.0	-81.01	419.47	6.49	-74.52
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013737089	1	56	0.0	-82.01	416.79	6.44	-75.57
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CC(C(=O)[O-])C1	REAL300013737090	0	49	0.0	-69.53	380.49	5.44	-64.09
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CC(C(=O)[O-])C1	REAL300013737090	1	49	0.0	-69.96	380.20	5.52	-64.44
COC1CC(C(=O)[O-])CN(C(=O)NCCC[N@@H+]2CCCC2C(=O)N(C)C)C1	REAL300013737091	0	59	0.0	-63.71	439.75	6.34	-57.37
COC1CC(C(=O)[O-])CN(C(=O)NCCC[N@H+]2CCCC2C(=O)N(C)C)C1	REAL300013737091	1	59	0.0	-65.18	441.22	6.27	-58.91
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N1CCC(C(=O)[O-])C1	REAL300013737092	0	52	0.0	-76.07	396.62	6.31	-69.76
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N1CCC(C(=O)[O-])C1	REAL300013737092	1	52	0.0	-76.47	395.13	6.32	-70.15
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013737093	0	53	0.0	-84.10	407.70	5.67	-78.43
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013737093	1	53	0.0	-83.03	406.69	5.69	-77.34
CC(CCC(=O)[O-])NC(=O)NCCC[N@@H+]1CCCC1C(=O)N(C)C	REAL300013737094	0	54	0.0	-72.42	413.79	5.77	-66.65
CC(CCC(=O)[O-])NC(=O)NCCC[N@H+]1CCCC1C(=O)N(C)C	REAL300013737094	1	54	0.0	-71.78	416.40	5.71	-66.07
CCC(CC)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013737183	1	57	0.0	-41.29	431.22	9.60	-31.69
CCOC1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C12CCCC2	REAL300013737294	1	56	0.0	-36.28	414.35	7.60	-28.68
O=C([O-])C1CCN(C(=O)NC2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013737336	0	52	0.0	-75.88	385.16	10.53	-65.35
O=C([O-])C1CCN(C(=O)NC2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013737336	1	52	0.0	-75.62	386.62	10.59	-65.03
O=C([O-])C1=CC=C(CNC(=O)NC2CCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013737337	0	52	0.0	-80.93	409.27	10.19	-70.74
O=C([O-])C1=CC=C(CNC(=O)NC2CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013737337	1	52	0.0	-79.71	413.24	9.66	-70.05
O=C([O-])C1CN(C(=O)NC2CCC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300013737338	0	50	0.0	-64.48	382.13	8.46	-56.02
O=C([O-])C1CN(C(=O)NC2CCC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300013737338	1	50	0.0	-81.86	382.27	8.49	-73.37
O=C([O-])C1CCC(NC(=O)NC2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013737339	0	55	0.0	-81.35	415.93	9.33	-72.02
O=C([O-])C1CCC(NC(=O)NC2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013737339	1	55	0.0	-81.46	415.87	9.32	-72.14
O=C([O-])CCCCNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013737340	0	51	0.0	-80.29	393.01	8.86	-71.43
O=C([O-])CCCCNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013737340	1	51	0.0	-78.79	396.98	8.34	-70.45
O=C([O-])C1=CC(CNC(=O)NC2CCC[N@H+](CC3=CC=CC=C3)C2)=CC=C1	REAL300013737341	0	52	0.0	-78.90	409.28	10.18	-68.72
O=C([O-])C1=CC(CNC(=O)NC2CCC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1	REAL300013737341	1	52	0.0	-81.05	409.22	10.18	-70.87
O=C([O-])CCNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013737342	0	45	0.0	-76.76	350.01	7.29	-69.47
O=C([O-])CCNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013737342	1	45	0.0	-75.51	353.98	6.76	-68.75
O=C([O-])CCCCCNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013737343	0	54	0.0	-78.73	414.50	9.64	-69.09
O=C([O-])CCCCCNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013737343	1	54	0.0	-78.71	414.45	9.65	-69.06
CC(C)(CNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013737344	0	51	0.0	-80.14	384.87	8.77	-71.37
CC(C)(CNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013737344	1	51	0.0	-80.57	385.39	8.75	-71.82
CC1(C(=O)[O-])CCN(C(=O)NC2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013737345	0	52	0.0	-77.23	393.95	9.73	-67.50
CC1(C(=O)[O-])CCN(C(=O)NC2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013737345	1	52	0.0	-76.74	393.27	9.67	-67.07
CC1CC(C(=O)[O-])CN(C(=O)NC2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013737346	0	55	0.0	-62.08	406.76	10.90	-51.18
CC1CC(C(=O)[O-])CN(C(=O)NC2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013737346	1	55	0.0	-60.84	405.55	10.84	-50.00
CC1(C(=O)[O-])CCN(C(=O)NC2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013737347	0	55	0.0	-78.83	403.54	10.34	-68.49
CC1(C(=O)[O-])CCN(C(=O)NC2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013737347	1	55	0.0	-76.28	402.56	10.29	-65.99
O=C([O-])CCCNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013737348	0	48	0.0	-74.06	371.51	8.08	-65.98
O=C([O-])CCCNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013737348	1	48	0.0	-73.09	375.48	7.56	-65.53
CC1CCN(C(=O)NC2CCC[N@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300013737349	0	55	0.0	-80.88	405.48	10.45	-70.43
CC1CCN(C(=O)NC2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300013737349	1	55	0.0	-85.06	404.86	11.08	-73.98
O=C([O-])C1(CNC(=O)NC2CCC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013737350	0	56	0.0	-63.96	414.80	7.66	-56.30
O=C([O-])C1(CNC(=O)NC2CCC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013737350	1	56	0.0	-65.28	411.53	8.25	-57.03
CC(C)(CCNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013737351	0	54	0.0	-75.07	404.21	8.95	-66.12
CC(C)(CCNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013737351	1	54	0.0	-74.97	404.74	8.97	-66.00
CCC(CC)(CNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013737352	0	57	0.0	-63.00	412.39	9.94	-53.06
CCC(CC)(CNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013737352	1	57	0.0	-64.17	418.06	9.21	-54.96
CC(CNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013737353	0	48	0.0	-78.49	369.37	8.07	-70.42
CC(CNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013737353	1	48	0.0	-78.74	369.31	8.08	-70.66
CC(C)C(CNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013737354	0	54	0.0	-66.83	407.30	9.23	-57.60
CC(C)C(CNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013737354	1	54	0.0	-66.51	405.00	8.84	-57.67
CC(NC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013737355	0	61	0.0	-81.78	448.47	10.10	-71.68
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CC(C)C[N@@H+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013742295	0	51	0.0	-67.81	382.12	7.24	-60.57
CC(C)C[N@H+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013742295	1	51	0.0	-70.59	381.69	7.19	-63.40
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013742296	0	57	0.0	-75.69	415.02	9.89	-65.80
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013742296	1	57	0.0	-73.37	414.37	9.89	-63.48
CC(C)C[N@@H+]1CCC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013742297	0	53	0.0	-74.71	391.90	6.60	-68.11
CC(C)C[N@H+]1CCC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013742297	1	53	0.0	-73.61	391.14	6.65	-66.96
CC(C)C[N@@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013742298	0	54	0.0	-64.36	398.51	8.01	-56.35
CC(C)C[N@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013742298	1	54	0.0	-65.44	398.84	7.97	-57.47
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013742299	0	54	0.0	-70.73	390.12	8.92	-61.81
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013742299	1	54	0.0	-72.50	387.37	9.10	-63.40
CC(C)C[N@@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013742300	0	51	0.0	-62.39	380.27	7.32	-55.07
CC(C)C[N@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013742300	1	51	0.0	-63.32	380.58	7.28	-56.04
CC(C)C[N@@H+]1CCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013742301	0	54	0.0	-73.89	406.58	8.03	-65.86
CC(C)C[N@H+]1CCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013742301	1	54	0.0	-74.77	405.91	7.95	-66.82
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013742302	0	54	0.0	-73.77	387.45	8.77	-65.00
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013742302	1	54	0.0	-74.77	387.13	8.69	-66.08
CC(C)C[C@H](CNC(=O)NCC1CC[N@H+](CC(C)C)C1)CC(=O)[O-]	REAL300013742303	0	59	0.0	-68.38	432.90	8.52	-59.86
CC(C)C[C@H](CNC(=O)NCC1CC[N@@H+](CC(C)C)C1)CC(=O)[O-]	REAL300013742303	1	59	0.0	-71.52	426.52	8.35	-63.17
CC(C)C[N@@H+]1CCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013742304	0	51	0.0	-69.17	391.40	8.18	-60.99
CC(C)C[N@H+]1CCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013742304	1	51	0.0	-70.44	391.27	8.11	-62.33
COCC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@H+](CC(C)C)C2)C1	REAL300013742305	0	55	0.0	-76.15	409.21	7.77	-68.38
COCC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@@H+](CC(C)C)C2)C1	REAL300013742305	1	55	0.0	-73.62	410.59	7.86	-65.76
CC(C)C[N@@H+]1CCC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013742306	0	56	0.0	-75.50	414.07	5.59	-69.91
CC(C)C[N@H+]1CCC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013742306	1	56	0.0	-75.60	413.93	5.49	-70.11
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)C1	REAL300013742307	0	61	0.0	-75.97	452.77	9.83	-66.14
CC(C)C[N@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)C1	REAL300013742307	1	61	0.0	-65.26	457.07	9.65	-55.61
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013742308	0	51	0.0	-60.64	374.89	8.48	-52.16
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013742308	1	51	0.0	-60.63	374.05	8.43	-52.20
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013742309	0	51	0.0	-77.84	374.65	8.49	-69.35
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013742309	1	51	0.0	-61.35	375.06	8.50	-52.85
CC(C)C[N@@H+]1CCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013742310	0	51	0.0	-76.48	398.79	8.09	-68.39
CC(C)C[N@H+]1CCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013742310	1	51	0.0	-76.19	397.66	7.98	-68.21
COC(=O)C1CC2(C1)CN(C(=O)NCC1CC[N@H+](CC(C)C)C1)CC2C(=O)[O-]	REAL300013742311	0	61	0.0	-67.41	454.99	9.82	-57.59
COC(=O)C1CC2(C1)CN(C(=O)NCC1CC[N@@H+](CC(C)C)C1)CC2C(=O)[O-]	REAL300013742311	1	61	0.0	-65.07	453.41	9.86	-55.21
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013742312	0	57	0.0	-79.21	408.35	9.83	-69.38
CC(C)C[N@H+]1CCC(CNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013742312	1	57	0.0	-79.39	408.15	9.84	-69.55
CC(C)C[N@@H+]1CCC(CNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013742313	0	59	0.0	-76.43	447.04	9.12	-67.31
CC(C)C[N@H+]1CCC(CNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013742313	1	59	0.0	-76.79	446.87	9.01	-67.78
CC(C)C[N@@H+]1CCC(CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013742314	0	56	0.0	-77.29	425.55	8.34	-68.95
CC(C)C[N@H+]1CCC(CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013742314	1	56	0.0	-77.61	425.37	8.24	-69.37
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013742315	0	54	0.0	-79.17	390.64	9.21	-69.96
CC(C)C[N@H+]1CCC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013742315	1	54	0.0	-79.56	389.30	9.13	-70.43
COCC1(C(=O)[O-])CCCN(C(=O)NCC2CC[N@H+](CC(C)C)C2)C1	REAL300013742316	0	58	0.0	-83.22	420.46	8.91	-74.31
COCC1(C(=O)[O-])CCCN(C(=O)NCC2CC[N@@H+](CC(C)C)C2)C1	REAL300013742316	1	58	0.0	-83.07	421.36	8.96	-74.11
COCCN(CCC(=O)[O-])C(=O)NCC1CC[N@H+](CC(C)C)C1	REAL300013742317	0	54	0.0	-58.78	404.89	7.85	-50.93
COCCN(CCC(=O)[O-])C(=O)NCC1CC[N@@H+](CC(C)C)C1	REAL300013742317	1	54	0.0	-59.69	409.95	7.72	-51.97
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013742318	0	57	0.0	-78.44	415.67	9.90	-68.54
CC(C)C[N@H+]1CCC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013742318	1	57	0.0	-77.60	414.85	9.86	-67.74
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013742319	0	55	0.0	-84.83	410.50	10.50	-74.33
CC(C)C[N@H+]1CCC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013742319	1	55	0.0	-84.65	410.09	10.41	-74.24
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2CC[N@@H+](CC(C)C)C2)CCO1	REAL300013742320	0	62	0.0	-71.97	458.47	8.34	-63.63
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2CC[N@H+](CC(C)C)C2)CCO1	REAL300013742320	1	62	0.0	-72.53	456.67	8.74	-63.79
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013742321	0	52	0.0	-68.38	387.22	7.24	-61.14
CC(C)C[N@H+]1CCC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013742321	1	52	0.0	-72.05	386.57	7.13	-64.92
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013742322	0	54	0.0	-60.79	391.66	9.07	-51.72
CC(C)C[N@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013742322	1	54	0.0	-60.11	389.76	9.01	-51.10
CC(C)C[N@@H+]1CCC(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013742323	0	58	0.0	-66.66	437.75	11.04	-55.62
CC(C)C[N@H+]1CCC(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013742323	1	58	0.0	-64.51	436.61	10.84	-53.67
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013742324	0	52	0.0	-76.22	384.85	6.06	-70.16
CC(C)C[N@H+]1CCC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013742324	1	52	0.0	-75.64	384.11	6.00	-69.64
CC(C)C[N@@H+]1CCC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013742325	0	55	0.0	-74.01	420.44	9.31	-64.70
CC(C)C[N@H+]1CCC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013742325	1	55	0.0	-71.37	415.54	9.14	-62.23
CC(C)C[N@@H+]1CCC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013742326	0	58	0.0	-84.68	426.15	8.29	-76.39
CC(C)C[N@H+]1CCC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013742326	1	58	0.0	-82.78	425.97	8.29	-74.49
COCC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@H+](CC(C)C)C2)CC1	REAL300013742327	0	58	0.0	-77.03	419.01	8.47	-68.56
COCC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@@H+](CC(C)C)C2)CC1	REAL300013742327	1	58	0.0	-75.94	419.34	8.54	-67.40
CC(C)C[N@@H+]1CCC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013742328	0	49	0.0	-78.05	375.88	6.76	-71.29
CC(C)C[N@H+]1CCC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013742328	1	49	0.0	-77.74	374.87	6.74	-71.00
CC(C)C[N@@H+]1CCC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013742329	0	60	0.0	-66.95	421.16	8.74	-58.21
CC(C)C[N@H+]1CCC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013742329	1	60	0.0	-69.76	421.63	8.68	-61.08
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013742330	0	54	0.0	-68.30	395.95	8.20	-60.10
CC(C)C[N@H+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013742330	1	54	0.0	-68.30	395.90	8.14	-60.16
CC(C)C[N@@H+]1CCC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013742331	0	57	0.0	-76.10	420.71	8.48	-67.62
CC(C)C[N@H+]1CCC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013742331	1	57	0.0	-75.17	418.76	8.45	-66.72
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013742332	0	54	0.0	-75.22	392.75	9.11	-66.11
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013742332	1	54	0.0	-67.43	392.05	9.11	-58.32
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013742333	0	55	0.0	-76.66	409.31	8.52	-68.14
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013742333	1	55	0.0	-76.27	408.75	8.55	-67.72
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013742334	0	54	0.0	-71.11	399.93	7.75	-63.36
CC(C)C[N@H+]1CCC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013742334	1	54	0.0	-71.72	400.71	7.77	-63.95
CC(C)C[N@@H+]1CCC(CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013742335	0	54	0.0	-69.10	395.49	8.16	-60.94
CC(C)C[N@H+]1CCC(CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013742335	1	54	0.0	-69.15	396.26	8.14	-61.01
CC(C)C[N@@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013742336	0	55	0.0	-61.84	401.52	6.23	-55.61
CC(C)C[N@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013742336	1	55	0.0	-62.78	401.79	6.15	-56.63
CC(C)C[N@@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013742337	0	52	0.0	-65.80	390.28	5.47	-60.33
CC(C)C[N@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013742337	1	52	0.0	-61.60	387.67	5.25	-56.35
CC(C)C[N@@H+]1CCC(CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C1	REAL300013742338	0	63	0.0	-76.02	474.01	10.48	-65.54
CC(C)C[N@H+]1CCC(CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C1	REAL300013742338	1	63	0.0	-76.27	473.89	10.37	-65.90
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013742339	0	49	0.0	-70.93	376.69	7.25	-63.68
CC(C)C[N@H+]1CCC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013742339	1	49	0.0	-71.43	376.83	7.17	-64.26
CC(C)C[N@@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013742340	0	55	0.0	-64.07	400.98	9.21	-54.86
CC(C)C[N@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013742340	1	55	0.0	-65.62	402.16	9.15	-56.47
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013742341	0	51	0.0	-67.13	394.90	8.27	-58.86
CC(C)C[N@H+]1CCC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013742341	1	51	0.0	-68.36	395.34	8.20	-60.16
CC(C)C[N@@H+]1CCC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013742342	0	52	0.0	-79.70	382.79	7.70	-72.00
CC(C)C[N@H+]1CCC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013742342	1	52	0.0	-79.34	382.22	7.60	-71.74
COC1CC(C(=O)[O-])CN(C(=O)NCC2CC[N@H+](CC(C)C)C2)C1	REAL300013742343	0	55	0.0	-61.85	408.17	7.41	-54.44
COC1CC(C(=O)[O-])CN(C(=O)NCC2CC[N@@H+](CC(C)C)C2)C1	REAL300013742343	1	55	0.0	-61.64	408.30	7.48	-54.16
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013742344	0	49	0.0	-77.23	376.56	7.20	-70.03
CC(C)C[N@H+]1CCC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013742344	1	49	0.0	-77.69	377.12	7.18	-70.51
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(CC3=CC=CC=C3)CCC2)CC1	REAL300013742479	1	55	0.0	-36.80	412.56	9.26	-27.54
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CC1CC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742785	1	52	0.0	-77.99	417.43	9.67	-68.32
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CC1CC(NC(=O)NC2CCC(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742787	0	55	0.0	-67.85	406.60	9.28	-58.57
CC1CC(NC(=O)NC2CCC(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742787	1	55	0.0	-79.21	420.07	9.35	-69.86
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CC1CC(NC(=O)NCCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013742788	1	51	0.0	-74.59	398.61	8.22	-66.37
CC1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742789	0	52	0.0	-76.24	409.74	9.20	-67.04
CC1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742789	1	52	0.0	-77.60	417.44	9.66	-67.94
CC1CC(NC(=O)NCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013742790	0	45	0.0	-72.87	350.65	6.29	-66.58
CC1CC(NC(=O)NCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013742790	1	45	0.0	-71.15	355.61	6.64	-64.51
CC1CC(NC(=O)NCCCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013742791	0	54	0.0	-74.74	414.96	8.67	-66.07
CC1CC(NC(=O)NCCCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013742791	1	54	0.0	-73.74	420.11	9.00	-64.74
CC1CC(NC(=O)NCC(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013742792	0	51	0.0	-75.32	385.32	7.79	-67.53
CC1CC(NC(=O)NCC(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013742792	1	51	0.0	-76.49	393.03	8.23	-68.26
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742793	0	52	0.0	-78.98	390.59	9.27	-69.71
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742793	1	52	0.0	-73.60	390.17	9.17	-64.43
CC1CC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742794	0	55	0.0	-79.93	407.71	10.15	-69.78
CC1CC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742794	1	55	0.0	-77.32	413.21	10.53	-66.79
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742795	0	55	0.0	-74.27	399.17	9.80	-64.47
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742795	1	55	0.0	-76.29	405.41	10.19	-66.10
CC1CC(NC(=O)NCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013742796	0	48	0.0	-70.49	371.96	7.11	-63.38
CC1CC(NC(=O)NCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013742796	1	48	0.0	-70.93	378.15	7.42	-63.51
CC1CC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742797	0	55	0.0	-79.83	398.74	9.88	-69.95
CC1CC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742797	1	55	0.0	-60.88	397.26	9.83	-51.05
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742798	0	56	0.0	-63.89	417.27	7.60	-56.29
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742798	1	56	0.0	-64.63	411.99	7.28	-57.35
CC1CC(NC(=O)NCCC(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013742799	0	54	0.0	-71.60	405.43	7.97	-63.63
CC1CC(NC(=O)NCCC(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013742799	1	54	0.0	-72.12	410.86	8.31	-63.81
CCC(CC)(CNC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013742800	0	57	0.0	-61.80	420.05	9.46	-52.34
CCC(CC)(CNC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013742800	1	57	0.0	-59.82	413.03	8.93	-50.89
CC(CNC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013742801	0	48	0.0	-74.06	375.15	7.42	-66.64
CC(CNC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013742801	1	48	0.0	-73.84	369.01	7.07	-66.77
CC(C)C(CNC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013742802	0	54	0.0	-65.39	415.46	8.71	-56.68
CC(C)C(CNC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013742802	1	54	0.0	-65.22	407.75	8.26	-56.96
CC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013742803	0	61	0.0	-78.84	448.36	9.85	-68.99
CC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013742803	1	61	0.0	-78.70	455.42	10.31	-68.39
CC1CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742804	0	58	0.0	-65.91	440.84	10.43	-55.48
CC1CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742804	1	58	0.0	-63.60	444.64	11.08	-52.52
CC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742805	0	52	0.0	-67.61	398.60	8.69	-58.92
CC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742805	1	52	0.0	-68.19	393.31	8.37	-59.82
CC1CC(NC(=O)N2CCC(CCC(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742806	0	58	0.0	-76.00	426.49	10.99	-65.01
CC1CC(NC(=O)N2CCC(CCC(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742806	1	58	0.0	-73.72	426.43	11.01	-62.71
CC1CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742807	0	54	0.0	-73.97	403.37	7.84	-66.13
CC1CC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742807	1	54	0.0	-73.17	403.86	7.74	-65.43
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742808	0	55	0.0	-63.86	410.54	9.14	-54.72
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742808	1	55	0.0	-63.26	407.50	9.37	-53.89
CC1CC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742809	0	55	0.0	-73.18	402.55	10.07	-63.11
CC1CC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742809	1	55	0.0	-76.70	406.15	10.16	-66.54
CC1CC(NC(=O)NCC2(C(=O)[O-])CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742810	0	52	0.0	-61.59	392.16	8.47	-53.12
CC1CC(NC(=O)NCC2(C(=O)[O-])CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742810	1	52	0.0	-62.35	399.86	8.93	-53.42
CC1CC(NC(=O)NCC(CC(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742811	0	55	0.0	-71.88	410.11	9.69	-62.19
CC1CC(NC(=O)NCC(CC(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742811	1	55	0.0	-73.87	423.65	9.42	-64.45
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742812	0	55	0.0	-74.27	399.17	9.80	-64.47
CC1CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742812	1	55	0.0	-76.29	405.41	10.19	-66.10
CC(C)C[C@H](CNC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013742813	0	60	0.0	-70.64	444.67	9.85	-60.79
CC(C)C[C@H](CNC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013742813	1	60	0.0	-69.02	443.70	9.83	-59.19
CC1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013742814	0	52	0.0	-68.18	403.34	9.32	-58.86
CC1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013742814	1	52	0.0	-69.70	411.04	9.78	-59.92
COCC1(C(=O)[O-])CCN(C(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013742815	0	56	0.0	-78.60	426.40	9.12	-69.48
COCC1(C(=O)[O-])CCN(C(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013742815	1	56	0.0	-78.39	430.32	8.68	-69.71
CC1CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742816	0	49	0.0	-71.30	384.47	8.16	-63.14
CC1CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742816	1	49	0.0	-71.32	377.22	7.68	-63.64
CC1CC(NC(=O)NC2CCN(CC(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742817	0	57	0.0	-73.67	425.46	6.75	-66.92
CC1CC(NC(=O)NC2CCN(CC(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742817	1	57	0.0	-74.08	431.66	7.07	-67.01
CC1CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742818	0	52	0.0	-60.47	386.64	9.58	-50.89
CC1CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742818	1	52	0.0	-79.35	385.91	9.56	-69.79
CC1CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742819	0	52	0.0	-78.04	386.57	9.57	-68.47
CC1CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742819	1	52	0.0	-61.41	392.22	9.95	-51.46
CC1CC(NC(=O)NC2CC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742820	0	49	0.0	-73.28	377.30	7.71	-65.57
CC1CC(NC(=O)NC2CC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742820	1	49	0.0	-73.83	383.14	8.01	-65.82
CC1CC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742821	0	49	0.0	-72.22	382.45	8.04	-64.18
CC1CC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742821	1	49	0.0	-72.36	382.15	8.06	-64.30
CC1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742822	0	52	0.0	-76.24	409.74	9.20	-67.04
CC1CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742822	1	52	0.0	-77.60	417.44	9.66	-67.94
CCC(CNC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013742823	0	51	0.0	-63.47	393.70	8.44	-55.03
CCC(CNC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013742823	1	51	0.0	-62.79	385.96	7.88	-54.91
CC1CC(NC(=O)N2CCCCC2CCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013742824	0	58	0.0	-81.29	419.94	10.97	-70.32
CC1CC(NC(=O)N2CCCCC2CCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013742824	1	58	0.0	-76.68	425.47	11.31	-65.37
CC1CC(NC(=O)NCCCCCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013742825	0	60	0.0	-76.87	457.96	10.24	-66.63
CC1CC(NC(=O)NCCCCCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013742825	1	60	0.0	-75.76	463.11	10.56	-65.20
CC1CC(NC(=O)NCCCCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013742826	0	57	0.0	-77.48	436.46	9.45	-68.03
CC1CC(NC(=O)NCCCCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013742826	1	57	0.0	-76.40	441.61	9.78	-66.62
CC1CC(NC(=O)N(C)CCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013742827	0	51	0.0	-75.16	389.60	9.49	-65.67
CC1CC(NC(=O)N(C)CCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013742827	1	51	0.0	-75.98	395.78	9.81	-66.17
CC1CC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742828	0	55	0.0	-79.89	407.49	10.63	-69.26
CC1CC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742828	1	55	0.0	-79.97	408.11	10.62	-69.35
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013742829	0	59	0.0	-85.09	433.83	9.48	-75.61
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013742829	1	59	0.0	-85.41	433.50	9.49	-75.92
COCCN(CCC(=O)[O-])C(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300013742830	0	55	0.0	-55.90	421.35	9.20	-46.70
COCCN(CCC(=O)[O-])C(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300013742830	1	55	0.0	-57.74	429.60	9.30	-48.44
CC1CC(NC(=O)N2CCCC(CCC(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742831	0	58	0.0	-79.90	426.98	11.02	-68.88
CC1CC(NC(=O)N2CCCC(CCC(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742831	1	58	0.0	-79.77	426.85	11.01	-68.76
CC1CC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742832	0	56	0.0	-82.58	427.24	11.95	-70.63
CC1CC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742832	1	56	0.0	-83.41	420.18	11.56	-71.85
CC1CC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742833	0	53	0.0	-69.37	405.83	8.80	-60.57
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CC1CC(NC(=O)N2CC(C(=O)[O-])CCC2C)C[N@H+]1CC1=CC=CC=C1	REAL300013742834	1	55	0.0	-60.92	409.34	10.49	-50.43
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CC1CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742835	1	53	0.0	-77.02	396.17	7.15	-69.87
CC1CC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C[N@@H+]1CC1=CC=CC=C1	REAL300013742836	0	56	0.0	-73.51	429.78	10.34	-63.17
CC1CC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C[N@H+]1CC1=CC=CC=C1	REAL300013742836	1	56	0.0	-74.29	437.60	10.77	-63.52
COCC1(C(=O)[O-])CCN(C(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013742837	0	59	0.0	-78.09	436.22	10.06	-68.03
COCC1(C(=O)[O-])CCN(C(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013742837	1	59	0.0	-78.04	431.36	8.99	-69.05
CC1CC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C[N@@H+]1CC1=CC=CC=C1	REAL300013742838	0	50	0.0	-77.90	387.11	7.90	-70.00
CC1CC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C[N@H+]1CC1=CC=CC=C1	REAL300013742838	1	50	0.0	-76.63	392.32	8.23	-68.40
CC1CC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742839	0	61	0.0	-67.79	433.25	9.87	-57.92
CC1CC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742839	1	61	0.0	-68.29	440.77	10.34	-57.95
CC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742840	0	55	0.0	-68.53	406.54	9.31	-59.22
CC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742840	1	55	0.0	-68.75	414.33	9.73	-59.02
CC1CC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742841	0	58	0.0	-76.91	430.88	9.62	-67.29
CC1CC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742841	1	58	0.0	-75.43	435.93	9.93	-65.50
CC1CC(NC(=O)N2CCC(CC(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742842	0	55	0.0	-68.19	404.24	10.25	-57.94
CC1CC(NC(=O)N2CCC(CC(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742842	1	55	0.0	-67.05	404.11	10.24	-56.81
CC1CC(NC(=O)N2CCC(OCC(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742843	0	56	0.0	-76.81	420.78	9.63	-67.18
CC1CC(NC(=O)N2CCC(OCC(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742843	1	56	0.0	-75.25	420.72	9.65	-65.60
CC1CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742844	0	55	0.0	-71.64	417.53	9.24	-62.40
CC1CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742844	1	55	0.0	-71.95	411.96	8.86	-63.09
CC1CC(NC(=O)NC2CCCC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742845	0	55	0.0	-72.56	418.89	9.37	-63.19
CC1CC(NC(=O)NC2CCCC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742845	1	55	0.0	-71.28	416.98	9.22	-62.06
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCOC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742846	0	56	0.0	-61.34	412.95	7.35	-53.99
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCOC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742846	1	56	0.0	-67.07	417.14	7.84	-59.23
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742847	0	53	0.0	-64.37	401.70	6.60	-57.77
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742847	1	53	0.0	-63.91	406.81	6.94	-56.97
CC1CC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C[N@@H+]1CC1=CC=CC=C1	REAL300013742848	0	50	0.0	-71.59	397.35	8.83	-62.76
CC1CC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C[N@H+]1CC1=CC=CC=C1	REAL300013742848	1	50	0.0	-69.84	388.98	8.36	-61.48
CC1CC(NC(=O)NCC2(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742849	0	49	0.0	-60.08	377.25	7.94	-52.14
CC1CC(NC(=O)NCC2(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013742849	1	49	0.0	-61.16	377.57	8.05	-53.11
CC1CC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742850	0	56	0.0	-63.90	412.01	10.31	-53.59
CC1CC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742850	1	56	0.0	-65.84	414.21	10.36	-55.48
CC1CC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742851	0	52	0.0	-69.95	410.46	9.81	-60.14
CC1CC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742851	1	52	0.0	-72.62	405.31	9.44	-63.18
CC1CC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742852	0	53	0.0	-78.35	399.42	9.15	-69.20
CC1CC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742852	1	53	0.0	-80.18	400.51	9.13	-71.05
CC1CC(NC(=O)N2CC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742853	0	46	0.0	-66.54	358.21	7.88	-58.66
CC1CC(NC(=O)N2CC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742853	1	46	0.0	-66.04	362.85	8.21	-57.83
COC1CC(C(=O)[O-])CN(C(=O)NC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013742854	0	56	0.0	-58.95	418.97	8.53	-50.42
COC1CC(C(=O)[O-])CN(C(=O)NC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013742854	1	56	0.0	-60.20	417.75	8.69	-51.51
CC1CC(NC(=O)N2CCC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013742855	0	49	0.0	-72.64	378.22	9.01	-63.63
CC1CC(NC(=O)N2CCC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013742855	1	49	0.0	-75.24	373.14	8.70	-66.54
CC1CC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C[N@@H+]1CC1=CC=CC=C1	REAL300013742856	0	50	0.0	-77.82	387.79	8.43	-69.39
CC1CC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C[N@H+]1CC1=CC=CC=C1	REAL300013742856	1	50	0.0	-77.63	387.74	8.41	-69.22
CC(CCC(=O)[O-])NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300013742857	0	51	0.0	-69.06	391.84	8.09	-60.97
CC(CCC(=O)[O-])NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300013742857	1	51	0.0	-68.20	391.72	8.12	-60.08
COCC1=NN2CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)CCC2=N1	REAL300013742890	1	52	0.0	-45.90	405.31	4.58	-41.32
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013742933	0	46	0.0	-71.95	365.93	7.76	-64.19
CC1C[N@H+](C2CC2)CC1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013742933	1	46	0.0	-72.11	365.97	7.77	-64.34
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013742934	0	49	0.0	-72.68	368.57	7.44	-65.24
CC1C[N@H+](C2CC2)CC1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013742934	1	49	0.0	-73.34	372.65	7.13	-66.21
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013742935	0	46	0.0	-68.36	365.93	7.75	-60.61
CC1C[N@H+](C2CC2)CC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013742935	1	46	0.0	-72.96	365.97	7.76	-65.20
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013742936	0	56	0.0	-73.36	424.20	11.33	-62.03
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013742936	1	56	0.0	-74.96	419.96	11.68	-63.28
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013742937	0	49	0.0	-55.36	367.90	8.38	-46.98
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013742937	1	49	0.0	-55.55	366.62	8.38	-47.17
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013742938	0	49	0.0	-70.69	359.13	8.05	-62.64
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013742938	1	49	0.0	-70.57	359.09	8.12	-62.45
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013742939	0	49	0.0	-72.42	362.23	8.76	-63.66
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013742939	1	49	0.0	-69.39	361.14	8.10	-61.29
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013742940	0	50	0.0	-55.05	368.25	5.82	-49.23
CC1C[N@H+](C2CC2)CC1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013742940	1	50	0.0	-57.18	368.14	5.88	-51.30
CCC(CC)(CNC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300013742941	0	51	0.0	-60.75	377.86	7.02	-53.73
CCC(CC)(CNC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300013742941	1	51	0.0	-60.55	373.76	7.34	-53.21
CC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013742942	0	55	0.0	-68.21	401.35	8.21	-60.00
CC(NC(=O)NC1C[N@H+](C2CC2)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013742942	1	55	0.0	-74.55	401.11	8.24	-66.31
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013742943	0	52	0.0	-57.98	391.66	9.21	-48.77
CC1C[N@H+](C2CC2)CC1NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013742943	1	52	0.0	-58.19	395.76	8.90	-49.29
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013742944	0	52	0.0	-70.03	386.51	9.27	-60.76
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013742944	1	52	0.0	-67.01	382.58	9.58	-57.43
CC1C[N@@H+](C2CC2)CC1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013742945	0	48	0.0	-65.03	360.39	6.39	-58.64
CC1C[N@H+](C2CC2)CC1NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013742945	1	48	0.0	-66.01	363.45	6.04	-59.97
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013742946	0	49	0.0	-54.83	366.68	7.70	-47.13
CC1C[N@H+](C2CC2)CC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013742946	1	49	0.0	-60.29	370.78	7.38	-52.91
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013742947	0	49	0.0	-69.48	359.31	8.56	-60.92
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013742947	1	49	0.0	-65.75	364.80	8.22	-57.53
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013742948	0	49	0.0	-67.14	366.51	8.27	-58.87
CC1C[N@H+](C2CC2)CC1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013742948	1	49	0.0	-66.32	377.78	7.33	-58.99
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013742949	0	49	0.0	-70.69	359.13	8.05	-62.64
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013742949	1	49	0.0	-70.57	359.09	8.12	-62.45
CC(C)C[C@H](CNC(=O)NC1C[N@@H+](C2CC2)CC1C)CC(=O)[O-]	REAL300013742950	0	54	0.0	-62.41	398.75	7.77	-54.64
CC(C)C[C@H](CNC(=O)NC1C[N@H+](C2CC2)CC1C)CC(=O)[O-]	REAL300013742950	1	54	0.0	-66.23	394.56	8.08	-58.15
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013742951	0	46	0.0	-58.44	359.63	7.90	-50.54
CC1C[N@H+](C2CC2)CC1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013742951	1	46	0.0	-65.86	363.62	7.56	-58.30
COCC1(C(=O)[O-])CCN(C(=O)NC2C[N@@H+](C3CC3)CC2C)C1	REAL300013742952	0	50	0.0	-71.76	380.62	6.91	-64.85
COCC1(C(=O)[O-])CCN(C(=O)NC2C[N@H+](C3CC3)CC2C)C1	REAL300013742952	1	50	0.0	-70.90	378.55	7.56	-63.34
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013742953	0	51	0.0	-67.78	381.55	5.35	-62.43
CC1C[N@H+](C2CC2)CC1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013742953	1	51	0.0	-68.52	385.77	4.98	-63.54
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013742954	0	56	0.0	-67.87	424.41	9.18	-58.69
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013742954	1	56	0.0	-60.08	428.95	9.10	-50.98
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013742955	0	46	0.0	-68.36	365.93	7.75	-60.61
CC1C[N@H+](C2CC2)CC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013742955	1	46	0.0	-72.96	365.97	7.76	-65.20
COC(=O)C1CC2(C1)CN(C(=O)NC1C[N@@H+](C3CC3)CC1C)CC2C(=O)[O-]	REAL300013742956	0	56	0.0	-65.19	429.68	9.16	-56.03
COC(=O)C1CC2(C1)CN(C(=O)NC1C[N@H+](C3CC3)CC1C)CC2C(=O)[O-]	REAL300013742956	1	56	0.0	-63.38	423.32	9.62	-53.76
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013742957	0	52	0.0	-71.72	376.03	9.58	-62.14
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013742957	1	52	0.0	-73.73	376.54	9.54	-64.19
CC1C[N@@H+](C2CC2)CC1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013742958	0	54	0.0	-71.18	414.16	8.78	-62.40
CC1C[N@H+](C2CC2)CC1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013742958	1	54	0.0	-71.33	414.20	8.79	-62.54
CC1C[N@@H+](C2CC2)CC1NC(=O)NCCCCCCC(=O)[O-]	REAL300013742959	0	51	0.0	-71.87	392.67	8.00	-63.87
CC1C[N@H+](C2CC2)CC1NC(=O)NCCCCCCC(=O)[O-]	REAL300013742959	1	51	0.0	-72.09	392.71	8.01	-64.08
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013742960	0	49	0.0	-73.94	361.49	8.58	-65.36
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013742960	1	49	0.0	-71.99	357.82	8.91	-63.08
COCC1(C(=O)[O-])CCCN(C(=O)NC2C[N@@H+](C3CC3)CC2C)C1	REAL300013742961	0	53	0.0	-78.06	393.29	7.75	-70.31
COCC1(C(=O)[O-])CCCN(C(=O)NC2C[N@H+](C3CC3)CC2C)C1	REAL300013742961	1	53	0.0	-77.67	392.03	8.45	-69.22
COCCN(CCC(=O)[O-])C(=O)NC1C[N@@H+](C2CC2)CC1C	REAL300013742962	0	49	0.0	-53.79	381.58	7.08	-46.71
COCCN(CCC(=O)[O-])C(=O)NC1C[N@H+](C2CC2)CC1C	REAL300013742962	1	49	0.0	-52.17	377.36	7.45	-44.72
CC1C[N@@H+](C2CC2)CC1NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013742963	0	55	0.0	-73.38	419.94	9.85	-63.53
CC1C[N@H+](C2CC2)CC1NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013742963	1	55	0.0	-73.43	414.43	9.96	-63.47
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013742964	0	52	0.0	-73.12	387.26	9.27	-63.85
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013742964	1	52	0.0	-58.53	382.90	9.63	-48.90
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013742965	0	50	0.0	-80.41	382.53	9.88	-70.53
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013742965	1	50	0.0	-73.13	381.08	9.92	-63.21
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2C[N@H+](C3CC3)CC2C)CCO1	REAL300013742966	0	57	0.0	-63.33	427.49	7.78	-55.55
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2C[N@@H+](C3CC3)CC2C)CCO1	REAL300013742966	1	57	0.0	-72.32	428.37	7.49	-64.83
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013742967	0	47	0.0	-64.40	359.01	6.57	-57.83
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013742967	1	47	0.0	-62.72	358.88	6.51	-56.21
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013742968	0	49	0.0	-53.00	358.17	8.72	-44.28
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013742968	1	49	0.0	-53.88	358.15	8.68	-45.20
CC1C[N@@H+](C2CC2)CC1NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013742969	0	53	0.0	-54.15	405.04	10.72	-43.43
CC1C[N@H+](C2CC2)CC1NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013742969	1	53	0.0	-57.06	403.71	10.73	-46.33
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013742970	0	47	0.0	-56.23	352.08	5.73	-50.50
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013742970	1	47	0.0	-70.79	355.91	5.38	-65.41
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013742971	0	50	0.0	-68.31	387.96	8.43	-59.88
CC1C[N@H+](C2CC2)CC1NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013742971	1	50	0.0	-67.81	386.90	8.45	-59.36
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013742972	0	53	0.0	-72.03	394.33	8.03	-64.00
CC1C[N@H+](C2CC2)CC1NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013742972	1	53	0.0	-69.58	397.09	7.06	-62.52
COCC1(C(=O)[O-])CCN(C(=O)NC2C[N@@H+](C3CC3)CC2C)CC1	REAL300013742973	0	53	0.0	-70.55	389.94	8.01	-62.54
COCC1(C(=O)[O-])CCN(C(=O)NC2C[N@H+](C3CC3)CC2C)CC1	REAL300013742973	1	53	0.0	-74.43	391.31	7.22	-67.21
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013742974	0	55	0.0	-71.79	389.58	8.46	-63.33
CC1C[N@H+](C2CC2)CC1NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013742974	1	55	0.0	-63.20	389.33	8.45	-54.75
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013742975	0	49	0.0	-61.86	368.43	7.58	-54.28
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013742975	1	49	0.0	-61.28	366.92	7.47	-53.81
CC1C[N@@H+](C2CC2)CC1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013742976	0	52	0.0	-71.77	388.40	8.20	-63.57
CC1C[N@H+](C2CC2)CC1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013742976	1	52	0.0	-71.55	390.63	7.85	-63.70
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013742977	0	49	0.0	-62.64	364.26	8.53	-54.11
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013742977	1	49	0.0	-69.77	360.33	8.82	-60.95
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013742978	0	50	0.0	-70.10	380.87	7.95	-62.15
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013742978	1	50	0.0	-69.80	377.06	8.21	-61.59
CC1C[N@@H+](C2CC2)CC1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013742979	0	49	0.0	-65.44	368.11	7.47	-57.97
CC1C[N@H+](C2CC2)CC1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013742979	1	49	0.0	-68.26	372.23	7.14	-61.12
CC1C[N@@H+](C2CC2)CC1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013742980	0	49	0.0	-64.16	367.62	7.56	-56.60
CC1C[N@H+](C2CC2)CC1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013742980	1	49	0.0	-64.05	367.72	7.58	-56.47
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013742981	0	50	0.0	-52.67	369.17	5.94	-46.73
CC1C[N@H+](C2CC2)CC1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013742981	1	50	0.0	-57.00	368.95	5.97	-51.03
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013742982	0	47	0.0	-56.12	358.10	5.17	-50.95
CC1C[N@H+](C2CC2)CC1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013742982	1	47	0.0	-58.00	357.91	5.19	-52.81
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013742983	0	58	0.0	-71.48	440.61	10.14	-61.34
CC1C[N@H+](C2CC2)CC1NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013742983	1	58	0.0	-71.67	441.19	10.15	-61.52
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013742984	0	50	0.0	-56.95	368.23	8.84	-48.11
CC1C[N@H+](C2CC2)CC1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013742984	1	50	0.0	-60.38	373.58	8.46	-51.92
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013742985	0	46	0.0	-58.24	366.52	7.64	-50.60
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013742985	1	46	0.0	-62.01	365.42	7.47	-54.54
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013742986	0	47	0.0	-74.45	354.46	7.07	-67.38
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013742986	1	47	0.0	-72.60	353.55	6.93	-65.67
COC1CC(C(=O)[O-])CN(C(=O)NC2C[N@@H+](C3CC3)CC2C)C1	REAL300013742987	0	50	0.0	-72.42	378.42	6.82	-65.60
COC1CC(C(=O)[O-])CN(C(=O)NC2C[N@H+](C3CC3)CC2C)C1	REAL300013742987	1	50	0.0	-56.27	379.81	6.79	-49.48
CC1C[N@@H+](C2CC2)CC1NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013742988	0	55	0.0	-78.83	424.98	6.36	-72.47
CC1C[N@H+](C2CC2)CC1NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013742988	1	55	0.0	-76.15	424.80	6.39	-69.76
O=C([O-])C[NH+]1CCC(NC(=O)NC2COC3=C(Cl)C=CC=C32)CC1	REAL300013743019	1	44	0.0	-37.20	363.61	5.98	-31.22
CC(C)CC(CNC(=O)N1CCC(C(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743061	0	60	0.0	-73.46	435.03	11.23	-62.23
CC(C)CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743062	0	60	0.0	-76.82	457.10	9.92	-66.90
CC(C)CC(CNC(=O)N1CCOC(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743063	0	58	0.0	-80.79	428.36	9.46	-71.33
CC(C)CC(CNC(=O)NC1CCC(C(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743064	0	63	0.0	-70.43	457.13	10.75	-59.68
CC(C)CC(CNC(=O)NCCCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013743065	0	59	0.0	-79.87	444.67	8.58	-71.29
CC(C)CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743066	0	60	0.0	-76.87	458.97	10.78	-66.09
CC(C)CC(CNC(=O)NCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013743067	0	53	0.0	-74.63	404.38	7.10	-67.53
CC(C)CC(CNC(=O)NCCCCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013743068	0	62	0.0	-77.71	468.87	9.45	-68.26
CC(C)CC(CNC(=O)NCC(C)(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013743069	0	59	0.0	-79.44	436.53	8.47	-70.97
CC(C)CC(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743070	0	60	0.0	-78.11	441.68	10.56	-67.55
CC(C)CC(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743071	0	63	0.0	-54.39	452.04	11.23	-43.16
CC(C)CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743072	0	63	0.0	-72.74	448.96	10.70	-62.04
CC(C)CC(CNC(=O)NCCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013743073	0	56	0.0	-72.87	423.17	7.80	-65.07
CC(C)CC(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743074	0	63	0.0	-59.58	454.84	11.76	-47.82
CC(C)CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013743075	0	62	0.0	-73.30	458.58	8.77	-64.53
CCC(CC)(CNC(=O)NCC(CC(C)C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300013743076	0	65	0.0	-60.19	465.55	9.81	-50.38
CC(C)CC(CNC(=O)NCC(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013743077	0	56	0.0	-76.95	420.22	7.76	-69.19
CC(C)CC(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300013743078	0	62	0.0	-63.76	458.96	8.96	-54.80
CC(C)CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743079	0	60	0.0	-68.64	446.96	9.14	-59.50
CC(C)CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743080	0	63	0.0	-65.17	459.39	10.59	-54.58
CC(C)CC(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743081	0	63	0.0	-73.41	448.50	11.94	-61.47
CC(C)CC(CNC(=O)NCC1(C(=O)[O-])CCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743082	0	60	0.0	-63.14	442.31	9.73	-53.41
CC(C)CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743083	0	63	0.0	-74.52	467.04	10.75	-63.77
CC(C)CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743084	0	63	0.0	-72.74	448.96	10.70	-62.04
CC(C)CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013743085	0	60	0.0	-67.43	452.59	10.89	-56.54
CC(C)CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743086	0	57	0.0	-73.50	426.53	9.11	-64.39
CC(C)CC(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743087	0	60	0.0	-56.99	436.28	10.28	-46.71
CC(C)CC(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743088	0	60	0.0	-57.59	440.41	10.41	-47.18
CC(C)CC(CNC(=O)NC1CC(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743089	0	57	0.0	-71.53	425.16	8.30	-63.23
CC(C)CC(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743090	0	57	0.0	-75.91	430.97	8.52	-67.39
CC(C)CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743091	0	60	0.0	-76.87	458.97	10.78	-66.09
CCC(CNC(=O)NCC(CC(C)C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300013743092	0	59	0.0	-59.85	439.12	8.75	-51.10
CC(C)CC(CNC(=O)NCCCCCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013743093	0	65	0.0	-82.07	487.67	10.14	-71.93
CC(C)CC(CNC(=O)N(C)CCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013743094	0	59	0.0	-79.21	440.79	10.20	-69.01
CC(C)CC(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743095	0	63	0.0	-83.15	451.68	11.06	-72.09
COCCN(CCC(=O)[O-])C(=O)NCC(CC(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300013743096	0	63	0.0	-54.68	475.19	9.64	-45.04
CC(C)CC(CNC(=O)N1CC(C(=O)[O-])CCC1C)[NH2+]C(C)C1=CC=CC=C1	REAL300013743097	0	63	0.0	-57.78	453.01	10.86	-46.92
CC(C)CC(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743098	0	61	0.0	-77.99	445.31	8.54	-69.45
CC(C)CC(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[NH2+]C(C)C1=CC=CC=C1	REAL300013743099	0	58	0.0	-82.26	437.89	8.58	-73.68
CC(C)CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743100	0	63	0.0	-69.17	456.96	10.01	-59.16
CC(C)CC(CNC(=O)N1CCC(CC(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743101	0	63	0.0	-76.33	453.52	11.91	-64.42
CC(C)CC(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743102	0	63	0.0	-74.89	462.66	9.61	-65.28
CC(C)CC(CNC(=O)NC1CCCC(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743103	0	63	0.0	-74.51	461.03	10.30	-64.21
CC(C)CC(CNC(=O)NCC1(C(=O)[O-])CCOC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743104	0	61	0.0	-62.58	448.35	8.03	-54.55
CC(C)CC(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH2+]C(C)C1=CC=CC=C1	REAL300013743105	0	58	0.0	-72.92	442.81	9.19	-63.73
CC(C)CC(CNC(=O)NCC1(C(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743106	0	57	0.0	-60.62	426.21	9.35	-51.27
CC(C)CC(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743107	0	61	0.0	-82.75	445.21	9.54	-73.21
CC(C)CC(CNC(=O)N1CC(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743108	0	54	0.0	-68.28	407.75	9.38	-58.90
CC(C)CC(CNC(=O)N1CCC(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013743109	0	57	0.0	-74.40	422.49	10.29	-64.11
CC(C)CC(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH2+]C(C)C1=CC=CC=C1	REAL300013743110	0	58	0.0	-77.12	435.23	9.12	-68.00
CC(C)CC(CNC(=O)NC(C)CCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013743111	0	59	0.0	-69.98	442.93	8.81	-61.17
CCC(C[NH+]1CCCC1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013743112	0	48	0.0	-74.98	374.70	7.66	-67.32
CCC(C[NH+]1CCCC1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013743113	0	51	0.0	-77.92	374.74	7.32	-70.60
CCC(C[NH+]1CCCC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013743114	0	48	0.0	-74.44	371.86	7.25	-67.19
CCC(C[NH+]1CCCC1)NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013743115	0	58	0.0	-69.57	418.88	10.96	-58.61
CCC(C[NH+]1CCCC1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013743116	0	51	0.0	-59.08	369.32	8.16	-50.92
CCC(C[NH+]1CCCC1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013743117	0	51	0.0	-74.20	362.06	7.93	-66.27
CCC(C[NH+]1CCCC1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013743118	0	51	0.0	-58.76	364.67	8.06	-50.70
CCC(C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013743119	0	52	0.0	-56.15	375.42	5.53	-50.62
CCC(C[NH+]1CCCC1)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013743120	0	53	0.0	-63.49	374.98	7.00	-56.49
CCC(C[NH+]1CCCC1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013743121	0	57	0.0	-73.69	403.81	8.53	-65.16
CCC(C[NH+]1CCCC1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013743122	0	54	0.0	-56.97	397.86	8.87	-48.10
CCC(C[NH+]1CCCC1)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013743123	0	54	0.0	-75.08	387.12	9.32	-65.76
CCC(C[NH+]1CCCC1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013743124	0	50	0.0	-70.92	368.66	6.32	-64.60
CCC(C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013743125	0	51	0.0	-63.12	371.35	7.41	-55.71
CCC(C[NH+]1CCCC1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013743126	0	51	0.0	-68.25	359.67	8.59	-59.66
CCC(C[NH+]1CCCC1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013743127	0	51	0.0	-75.04	379.83	7.54	-67.50
CCC(C[NH+]1CCCC1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013743128	0	51	0.0	-74.20	362.06	7.93	-66.27
CCC(C[NH+]1CCCC1)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013743129	0	56	0.0	-72.18	400.08	7.55	-64.63
CCC(C[NH+]1CCCC1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013743130	0	48	0.0	-61.00	365.72	7.75	-53.25
CCC(C[NH+]1CCCC1)NC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013743131	0	52	0.0	-77.75	385.84	6.33	-71.42
CCC(C[NH+]1CCCC1)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013743132	0	53	0.0	-72.80	387.51	4.79	-68.01
CCC(C[NH+]1CCCC1)NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013743133	0	58	0.0	-80.60	431.64	8.89	-71.71
CCC(C[NH+]1CCCC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013743134	0	48	0.0	-74.44	371.86	7.25	-67.19
CCC(C[NH+]1CCCC1)NC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013743135	0	58	0.0	-58.61	426.36	9.14	-49.47
CCC(C[NH+]1CCCC1)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013743136	0	54	0.0	-79.51	379.03	9.86	-69.65
CCC(C[NH+]1CCCC1)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013743137	0	56	0.0	-75.66	420.08	8.28	-67.38
CCC(C[NH+]1CCCC1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013743138	0	53	0.0	-76.37	398.59	7.50	-68.87
CCC(C[NH+]1CCCC1)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013743139	0	51	0.0	-79.01	364.01	8.80	-70.21
CCC(C[NH+]1CCCC1)NC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013743140	0	55	0.0	-83.99	391.91	8.33	-75.66
CCC(C[NH+]1CCCC1)NC(=O)N(CCOC)CCC(=O)[O-]	REAL300013743141	0	51	0.0	-56.86	383.87	6.92	-49.94
CCC(C[NH+]1CCCC1)NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013743142	0	57	0.0	-76.46	422.42	10.07	-66.39
CCC(C[NH+]1CCCC1)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013743143	0	54	0.0	-77.50	389.65	9.08	-68.42
CCC(C[NH+]1CCCC1)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013743144	0	52	0.0	-76.85	380.11	10.06	-66.79
CCC(C[NH+]1CCCC1)NC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013743145	0	59	0.0	-76.41	436.47	7.43	-68.98
CCC(C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013743146	0	49	0.0	-72.30	360.46	6.27	-66.03
CCC(C[NH+]1CCCC1)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013743147	0	51	0.0	-56.50	360.97	8.99	-47.51
CCC(C[NH+]1CCCC1)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013743148	0	55	0.0	-62.96	411.51	10.61	-52.35
CCC(C[NH+]1CCCC1)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013743149	0	49	0.0	-75.54	358.91	5.19	-70.35
CCC(C[NH+]1CCCC1)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013743150	0	52	0.0	-71.05	399.78	9.12	-61.93
CCC(C[NH+]1CCCC1)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013743151	0	55	0.0	-87.34	394.25	8.18	-79.16
CCC(C[NH+]1CCCC1)NC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013743152	0	55	0.0	-68.03	398.00	7.63	-60.40
CCC(C[NH+]1CCCC1)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013743153	0	57	0.0	-62.27	399.97	8.49	-53.78
CCC(C[NH+]1CCCC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013743154	0	51	0.0	-67.34	368.26	7.57	-59.77
CCC(C[NH+]1CCCC1)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013743155	0	54	0.0	-73.72	395.76	8.03	-65.69
CCC(C[NH+]1CCCC1)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013743156	0	51	0.0	-66.37	364.81	8.54	-57.83
CCC(C[NH+]1CCCC1)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013743157	0	52	0.0	-78.06	381.34	7.94	-70.12
CCC(C[NH+]1CCCC1)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013743158	0	51	0.0	-69.37	377.23	7.33	-62.04
CCC(C[NH+]1CCCC1)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013743159	0	51	0.0	-69.53	370.44	7.42	-62.11
CCC(C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013743160	0	52	0.0	-66.40	379.54	6.18	-60.22
CCC(C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013743161	0	49	0.0	-62.45	361.48	4.88	-57.57
CCC(C[NH+]1CCCC1)NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013743162	0	60	0.0	-75.46	445.87	9.85	-65.61
CCC(C[NH+]1CCCC1)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013743163	0	52	0.0	-62.20	376.38	8.69	-53.51
CCC(C[NH+]1CCCC1)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013743164	0	48	0.0	-66.23	368.60	7.49	-58.74
CCC(C[NH+]1CCCC1)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013743165	0	49	0.0	-78.70	354.97	7.11	-71.59
CCC(C[NH+]1CCCC1)NC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013743166	0	52	0.0	-80.34	377.29	7.51	-72.83
CCC(C[NH+]1CCCC1)NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013743167	0	57	0.0	-84.63	427.76	6.18	-78.45
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)CC1(C)OCCO1	REAL300013743199	1	53	0.0	-36.56	394.24	5.24	-31.32
CC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCS1	REAL300013743264	1	46	0.0	-39.73	356.45	6.49	-33.24
COC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(F)=C1	REAL300013743328	1	46	0.0	-38.21	368.21	5.58	-32.63
CC(C)(C)C1=NN=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013743399	1	49	0.0	-39.42	394.66	4.88	-34.54
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2=CC=C3OCCOC3=C2)CC1	REAL300013743487	1	54	0.0	-40.37	420.66	6.99	-33.38
CC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(OC2CCOC2)=C1	REAL300013743558	1	57	0.0	-37.57	438.62	6.57	-31.00
C[C@@H](CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC1=CC=C(Cl)C=C1	REAL300013743626	1	49	0.0	-37.22	397.47	6.97	-30.25
O=C([O-])C1CCN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CC1	REAL300013743668	0	56	0.0	-74.80	415.59	9.60	-65.20
O=C([O-])C1CCN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CC1	REAL300013743668	1	56	0.0	-73.91	415.36	9.18	-64.73
O=C([O-])C1=CC=C(CNC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)C=C1	REAL300013743669	0	56	0.0	-78.97	437.40	8.82	-70.15
O=C([O-])C1=CC=C(CNC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)C=C1	REAL300013743669	1	56	0.0	-79.15	437.96	8.77	-70.38
O=C([O-])C1CN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CCO1	REAL300013743670	0	54	0.0	-66.53	406.17	7.65	-58.88
O=C([O-])C1CN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CCO1	REAL300013743670	1	54	0.0	-80.01	406.91	7.58	-72.43
O=C([O-])C1CCC(NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CC1	REAL300013743671	0	59	0.0	-71.88	434.27	8.90	-62.98
O=C([O-])C1CCC(NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CC1	REAL300013743671	1	59	0.0	-79.90	440.59	8.46	-71.44
O=C([O-])CCCCNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300013743672	0	55	0.0	-77.61	421.13	7.49	-70.12
O=C([O-])CCCCNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300013743672	1	55	0.0	-77.90	421.70	7.45	-70.45
O=C([O-])C1=CC(CNC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)=CC=C1	REAL300013743673	0	56	0.0	-77.86	437.41	8.80	-69.06
O=C([O-])C1=CC(CNC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)=CC=C1	REAL300013743673	1	56	0.0	-77.83	437.97	8.76	-69.07
O=C([O-])CCNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300013743674	0	49	0.0	-74.58	378.14	5.92	-68.66
O=C([O-])CCNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300013743674	1	49	0.0	-74.73	378.70	5.87	-68.86
O=C([O-])CCCCCNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300013743675	0	58	0.0	-76.70	442.63	8.27	-68.43
O=C([O-])CCCCCNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300013743675	1	58	0.0	-77.00	443.20	8.22	-68.78
CC(C)(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013743676	0	55	0.0	-77.19	413.58	7.41	-69.78
CC(C)(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013743676	1	55	0.0	-77.69	413.55	7.34	-70.35
CC1(C(=O)[O-])CCN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)C1	REAL300013743677	0	56	0.0	-75.33	417.90	8.89	-66.44
CC1(C(=O)[O-])CCN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)C1	REAL300013743677	1	56	0.0	-78.18	418.42	8.78	-69.40
CC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)C1	REAL300013743678	0	59	0.0	-66.09	431.11	10.38	-55.71
CC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)C1	REAL300013743678	1	59	0.0	-64.98	435.87	9.79	-55.19
CC1(C(=O)[O-])CCN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CC1	REAL300013743679	0	59	0.0	-76.69	427.75	9.85	-66.84
CC1(C(=O)[O-])CCN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CC1	REAL300013743679	1	59	0.0	-74.44	427.48	9.42	-65.02
O=C([O-])CCCNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300013743680	0	52	0.0	-72.69	399.63	6.71	-65.98
O=C([O-])CCCNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300013743680	1	52	0.0	-72.93	400.20	6.66	-66.27
CC1CCN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CC1C(=O)[O-]	REAL300013743681	0	59	0.0	-78.87	430.07	9.69	-69.18
CC1CCN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CC1C(=O)[O-]	REAL300013743681	1	59	0.0	-62.12	430.87	9.59	-52.53
CC(C)(CCNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013743682	0	58	0.0	-73.74	432.34	7.59	-66.15
CC(C)(CCNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013743682	1	58	0.0	-73.93	432.90	7.54	-66.39
CCC(CC)(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013743683	0	61	0.0	-65.07	440.52	8.56	-56.51
CCC(CC)(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013743683	1	61	0.0	-67.51	445.80	8.35	-59.16
CC(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013743684	0	52	0.0	-76.03	396.68	6.67	-69.36
CC(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013743684	1	52	0.0	-75.97	397.25	6.62	-69.35
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CC1C[N@@H+](CCCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CCCO1	REAL300013744599	1	56	0.0	-65.67	404.57	7.67	-58.00
CC1C[N@H+](CCCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CCCO1	REAL300013744600	0	52	0.0	-74.27	396.93	7.29	-66.98
CC1C[N@@H+](CCCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CCCO1	REAL300013744600	1	52	0.0	-69.57	400.54	6.83	-62.74
CC1C[N@H+](CCCNC(=O)N2CCOC(C)(C(=O)[O-])C2)CCCO1	REAL300013744601	0	53	0.0	-82.01	385.91	6.63	-75.38
CC1C[N@@H+](CCCNC(=O)N2CCOC(C)(C(=O)[O-])C2)CCCO1	REAL300013744601	1	53	0.0	-80.49	386.85	6.20	-74.29
COC1CC(C(=O)[O-])CN(C(=O)NCCC[N@@H+]2CCCOC(C)C2)C1	REAL300013744602	0	56	0.0	-62.77	409.35	6.51	-56.26
COC1CC(C(=O)[O-])CN(C(=O)NCCC[N@H+]2CCCOC(C)C2)C1	REAL300013744602	1	56	0.0	-63.52	411.73	5.94	-57.58
CC1C[N@H+](CCCNC(=O)N2CCC(C(=O)[O-])C2)CCCO1	REAL300013744603	0	49	0.0	-76.82	364.76	6.50	-70.32
CC1C[N@@H+](CCCNC(=O)N2CCC(C(=O)[O-])C2)CCCO1	REAL300013744603	1	49	0.0	-75.14	365.56	6.06	-69.08
CC1C[N@H+](CCCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCO1	REAL300013744604	0	50	0.0	-78.61	380.30	5.80	-72.81
CC1C[N@@H+](CCCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCO1	REAL300013744604	1	50	0.0	-78.67	380.29	5.80	-72.87
CC(CCC(=O)[O-])NC(=O)NCCC[N@@H+]1CCCOC(C)C1	REAL300013744605	0	51	0.0	-71.01	383.39	5.94	-65.07
CC(CCC(=O)[O-])NC(=O)NCCC[N@H+]1CCCOC(C)C1	REAL300013744605	1	51	0.0	-69.94	384.26	5.50	-64.44
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC(F)CC2)CC1	REAL300013744614	1	45	0.0	-41.31	341.46	6.00	-35.31
CCCNC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013744668	1	53	0.0	-39.58	411.15	6.64	-32.94
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(N3CCOCC3)CC2)CC1	REAL300013744786	1	52	0.0	-36.72	389.23	3.30	-33.42
O=C([O-])C[NH+]1CCC(NC(=O)NCCOCC(F)(F)C(F)F)CC1	REAL300013744881	1	45	0.0	-39.07	373.68	4.63	-34.44
O=C([O-])C1CCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CC1	REAL300013744924	0	49	0.0	-68.46	360.64	8.48	-59.98
O=C([O-])C1CCN(C(=O)NCC2CCCC[N@H+]2C2CC2)CC1	REAL300013744924	1	49	0.0	-65.64	358.72	8.35	-57.29
O=C([O-])C1=CC=C(CNC(=O)NCC2CCCC[N@@H+]2C2CC2)C=C1	REAL300013744925	0	49	0.0	-72.84	375.38	7.74	-65.10
O=C([O-])C1=CC=C(CNC(=O)NCC2CCCC[N@H+]2C2CC2)C=C1	REAL300013744925	1	49	0.0	-72.84	376.75	7.72	-65.12
O=C([O-])C1CN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CCO1	REAL300013744926	0	47	0.0	-58.21	352.21	6.86	-51.35
O=C([O-])C1CN(C(=O)NCC2CCCC[N@H+]2C2CC2)CCO1	REAL300013744926	1	47	0.0	-73.59	345.68	6.53	-67.06
O=C([O-])C1CCC(NC(=O)NCC2CCCC[N@@H+]2C2CC2)CC1	REAL300013744927	0	52	0.0	-64.23	372.26	7.82	-56.41
O=C([O-])C1CCC(NC(=O)NCC2CCCC[N@H+]2C2CC2)CC1	REAL300013744927	1	52	0.0	-63.58	373.63	7.79	-55.79
O=C([O-])C1=CC(CNC(=O)NCC2CCCC[N@@H+]2C2CC2)=CC=C1	REAL300013744928	0	49	0.0	-70.68	382.89	7.97	-62.71
O=C([O-])C1=CC(CNC(=O)NCC2CCCC[N@H+]2C2CC2)=CC=C1	REAL300013744928	1	49	0.0	-71.36	376.37	7.67	-63.69
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@@H+]1C1CC1	REAL300013744929	0	51	0.0	-70.22	380.62	7.20	-63.02
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@H+]1C1CC1	REAL300013744929	1	51	0.0	-70.00	381.60	7.14	-62.86
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CC1	REAL300013744930	0	59	0.0	-74.36	437.30	11.89	-62.47
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NCC2CCCC[N@H+]2C2CC2)CC1	REAL300013744930	1	59	0.0	-73.97	436.79	11.88	-62.09
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013744931	0	49	0.0	-69.45	366.41	7.97	-61.48
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013744931	1	49	0.0	-72.34	355.25	8.26	-64.08
CC1CC(C(=O)[O-])CN(C(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013744932	0	52	0.0	-55.57	375.21	9.18	-46.39
CC1CC(C(=O)[O-])CN(C(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013744932	1	52	0.0	-74.12	373.57	8.73	-65.39
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CC1	REAL300013744933	0	52	0.0	-67.84	372.67	8.70	-59.14
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@H+]2C2CC2)CC1	REAL300013744933	1	52	0.0	-68.67	366.72	8.38	-60.29
CC1CCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CC1C(=O)[O-]	REAL300013744934	0	52	0.0	-73.23	370.71	8.64	-64.59
CC1CCN(C(=O)NCC2CCCC[N@H+]2C2CC2)CC1C(=O)[O-]	REAL300013744934	1	52	0.0	-75.34	371.30	9.20	-66.14
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+]2C2CC2)CCOCC1	REAL300013744935	0	53	0.0	-60.82	377.70	5.80	-55.02
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+]2C2CC2)CCOCC1	REAL300013744935	1	53	0.0	-59.46	378.68	5.74	-53.72
CC(C)(CCNC(=O)NCC1CCCC[N@@H+]1C1CC1)C(=O)[O-]	REAL300013744936	0	51	0.0	-67.15	370.33	6.50	-60.65
CC(C)(CCNC(=O)NCC1CCCC[N@H+]1C1CC1)C(=O)[O-]	REAL300013744936	1	51	0.0	-66.78	371.88	6.46	-60.32
CCC(CC)(CNC(=O)NCC1CCCC[N@@H+]1C1CC1)C(=O)[O-]	REAL300013744937	0	54	0.0	-57.69	378.51	7.48	-50.21
CCC(CC)(CNC(=O)NCC1CCCC[N@H+]1C1CC1)C(=O)[O-]	REAL300013744937	1	54	0.0	-59.99	384.19	7.26	-52.73
CC(C)C(CNC(=O)NCC1CCCC[N@@H+]1C1CC1)C(=O)[O-]	REAL300013744938	0	51	0.0	-59.73	380.91	7.02	-52.71
CC(C)C(CNC(=O)NCC1CCCC[N@H+]1C1CC1)C(=O)[O-]	REAL300013744938	1	51	0.0	-59.32	369.13	6.84	-52.48
CC(NC(=O)NCC1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013744939	0	58	0.0	-72.21	421.49	8.65	-63.56
CC(NC(=O)NCC1CCCC[N@H+]1C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013744939	1	58	0.0	-73.07	410.23	8.79	-64.28
CC(CNC(=O)NCC1CCCC[N@@H+]1C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013744940	0	55	0.0	-59.37	402.59	9.16	-50.21
CC(CNC(=O)NCC1CCCC[N@H+]1C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013744940	1	55	0.0	-60.22	403.56	9.11	-51.11
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013744941	0	49	0.0	-66.11	359.98	6.86	-59.25
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013744941	1	49	0.0	-63.60	360.01	6.84	-56.76
O=C([O-])CCC1CCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CC1	REAL300013744942	0	55	0.0	-69.13	399.94	9.87	-59.26
O=C([O-])CCC1CCN(C(=O)NCC2CCCC[N@H+]2C2CC2)CC1	REAL300013744942	1	55	0.0	-69.33	399.56	9.83	-59.50
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1CCCC[N@@H+]1C1CC1)C2	REAL300013744943	0	51	0.0	-68.48	368.40	6.36	-62.12
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1CCCC[N@H+]1C1CC1)C2	REAL300013744943	1	51	0.0	-70.19	370.42	6.22	-63.97
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+]2C2CC2)CCCC1	REAL300013744944	0	52	0.0	-60.71	376.13	7.68	-53.03
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+]2C2CC2)CCCC1	REAL300013744944	1	52	0.0	-59.59	375.02	7.68	-51.91
CC1CN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CCC1C(=O)[O-]	REAL300013744945	0	52	0.0	-67.28	372.97	9.23	-58.05
CC1CN(C(=O)NCC2CCCC[N@H+]2C2CC2)CCC1C(=O)[O-]	REAL300013744945	1	52	0.0	-64.58	367.17	9.04	-55.54
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+]2C2CC2)CCC1	REAL300013744946	0	49	0.0	-56.36	365.31	7.24	-49.12
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+]2C2CC2)CCC1	REAL300013744946	1	49	0.0	-57.54	359.08	6.94	-50.60
O=C([O-])CC(CNC(=O)NCC1CCCC[N@@H+]1C1CC1)C1CC1	REAL300013744947	0	52	0.0	-67.26	374.09	8.18	-59.08
O=C([O-])CC(CNC(=O)NCC1CCCC[N@H+]1C1CC1)C1CC1	REAL300013744947	1	52	0.0	-69.88	384.36	7.63	-62.25
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CC1	REAL300013744948	0	52	0.0	-67.84	372.67	8.70	-59.14
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@H+]2C2CC2)CC1	REAL300013744948	1	52	0.0	-68.67	366.72	8.38	-60.29
CC(C)C[C@H](CNC(=O)NCC1CCCC[N@@H+]1C1CC1)CC(=O)[O-]	REAL300013744949	0	57	0.0	-63.66	409.03	8.20	-55.46
CC(C)C[C@H](CNC(=O)NCC1CCCC[N@H+]1C1CC1)CC(=O)[O-]	REAL300013744949	1	57	0.0	-63.62	410.42	8.15	-55.47
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CCCC[N@@H+]1C1CC1	REAL300013744950	0	49	0.0	-65.96	368.99	7.85	-58.11
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CCCC[N@H+]1C1CC1	REAL300013744950	1	49	0.0	-63.82	369.99	7.77	-56.05
COCC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013744951	0	53	0.0	-69.80	397.36	7.09	-62.71
COCC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013744951	1	53	0.0	-75.06	388.06	7.41	-67.65
O=C([O-])CN1CCC(NC(=O)NCC2CCCC[N@@H+]2C2CC2)CC1	REAL300013744952	0	54	0.0	-71.38	390.67	5.24	-66.14
O=C([O-])CN1CCC(NC(=O)NCC2CCCC[N@H+]2C2CC2)CC1	REAL300013744952	1	54	0.0	-70.95	392.04	5.21	-65.74
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3CCCC[N@@H+]3C3CC3)C2)C=N1	REAL300013744953	0	59	0.0	-61.26	428.25	10.54	-50.72
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3CCCC[N@H+]3C3CC3)C2)C=N1	REAL300013744953	1	59	0.0	-57.74	429.42	9.93	-47.81
O=C([O-])[C@@H]1CCCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013744954	0	49	0.0	-72.14	360.02	8.42	-63.72
O=C([O-])[C@@H]1CCCN(C(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013744954	1	49	0.0	-55.66	352.91	8.06	-47.60
O=C([O-])[C@H]1CCCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013744955	0	49	0.0	-73.21	350.40	8.07	-65.14
O=C([O-])[C@H]1CCCN(C(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013744955	1	49	0.0	-73.45	351.65	8.60	-64.85
O=C([O-])C1=CC(CNC(=O)NCC2CCCC[N@@H+]2C2CC2)=CC=C1	REAL300013744956	0	49	0.0	-70.68	382.89	7.97	-62.71
O=C([O-])C1=CC(CNC(=O)NCC2CCCC[N@H+]2C2CC2)=CC=C1	REAL300013744956	1	49	0.0	-71.36	376.37	7.67	-63.69
COC(=O)C1CC2(C1)CN(C(=O)NCC1CCCC[N@@H+]1C1CC1)CC2C(=O)[O-]	REAL300013744957	0	59	0.0	-59.74	435.29	9.58	-50.16
COC(=O)C1CC2(C1)CN(C(=O)NCC1CCCC[N@H+]1C1CC1)CC2C(=O)[O-]	REAL300013744957	1	59	0.0	-63.93	430.03	9.40	-54.53
O=C([O-])CCC1CCCCN1C(=O)NCC1CCCC[N@@H+]1C1CC1	REAL300013744958	0	55	0.0	-72.88	393.92	9.79	-63.09
O=C([O-])CCC1CCCCN1C(=O)NCC1CCCC[N@H+]1C1CC1	REAL300013744958	1	55	0.0	-74.48	387.02	9.49	-64.99
O=C([O-])CCCCCCCNC(=O)NCC1CCCC[N@@H+]1C1CC1	REAL300013744959	0	57	0.0	-72.18	423.62	8.76	-63.42
O=C([O-])CCCCCCCNC(=O)NCC1CCCC[N@H+]1C1CC1	REAL300013744959	1	57	0.0	-71.93	424.60	8.70	-63.23
O=C([O-])CCCCCCNC(=O)NCC1CCCC[N@@H+]1C1CC1	REAL300013744960	0	54	0.0	-72.95	402.12	7.98	-64.97
O=C([O-])CCCCCCNC(=O)NCC1CCCC[N@H+]1C1CC1	REAL300013744960	1	54	0.0	-72.70	403.10	7.92	-64.78
CC1(C(=O)[O-])CCCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013744961	0	52	0.0	-73.02	374.74	9.13	-63.89
CC1(C(=O)[O-])CCCN(C(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013744961	1	52	0.0	-74.62	366.57	9.37	-65.25
COCC1(C(=O)[O-])CCCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013744962	0	56	0.0	-76.55	405.50	8.87	-67.68
COCC1(C(=O)[O-])CCCN(C(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013744962	1	56	0.0	-77.72	397.12	9.24	-68.48
COCCN(CCC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1C1CC1	REAL300013744963	0	52	0.0	-55.25	386.94	7.39	-47.86
COCCN(CCC(=O)[O-])C(=O)NCC1CCCC[N@H+]1C1CC1	REAL300013744963	1	52	0.0	-53.55	383.59	7.55	-46.00
O=C([O-])[C@]12CN(C(=O)NCC3CCCC[N@@H+]3C3CC3)C[C@H]1C1=CC=CC=C1OC2	REAL300013744964	0	58	0.0	-72.29	432.94	10.32	-61.97
O=C([O-])[C@]12CN(C(=O)NCC3CCCC[N@H+]3C3CC3)C[C@H]1C1=CC=CC=C1OC2	REAL300013744964	1	58	0.0	-75.76	423.62	10.03	-65.73
O=C([O-])CCC1CCCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013744965	0	55	0.0	-72.33	400.32	9.86	-62.47
O=C([O-])CCC1CCCN(C(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013744965	1	55	0.0	-74.12	392.01	10.05	-64.07
O=C([O-])C1CN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CC2=CC=CC=C21	REAL300013744966	0	53	0.0	-70.66	392.80	10.92	-59.74
O=C([O-])C1CN(C(=O)NCC2CCCC[N@H+]2C2CC2)CC2=CC=CC=C21	REAL300013744966	1	53	0.0	-73.79	386.84	10.63	-63.16
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CCO1	REAL300013744967	0	60	0.0	-65.48	445.19	7.84	-57.64
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2CCCC[N@H+]2C2CC2)CCO1	REAL300013744967	1	60	0.0	-64.49	444.88	7.80	-56.69
O=C([O-])C(=O)N1CCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CC1	REAL300013744968	0	50	0.0	-63.45	371.82	7.20	-56.25
O=C([O-])C(=O)N1CCN(C(=O)NCC2CCCC[N@H+]2C2CC2)CC1	REAL300013744968	1	50	0.0	-63.47	365.57	6.74	-56.73
CC1CCC(C(=O)[O-])CN1C(=O)NCC1CCCC[N@@H+]1C1CC1	REAL300013744969	0	52	0.0	-54.52	374.00	8.98	-45.54
CC1CCC(C(=O)[O-])CN1C(=O)NCC1CCCC[N@H+]1C1CC1	REAL300013744969	1	52	0.0	-51.03	366.16	9.19	-41.84
O=C([O-])[C@@H]1CN(C(=O)NCC2CCCC[N@@H+]2C2CC2)C[C@H]1C1=CC=CC=C1	REAL300013744970	0	56	0.0	-61.55	422.66	11.01	-50.54
O=C([O-])[C@@H]1CN(C(=O)NCC2CCCC[N@H+]2C2CC2)C[C@H]1C1=CC=CC=C1	REAL300013744970	1	56	0.0	-59.30	412.50	11.66	-47.64
O=C([O-])C1(O)CCCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013744971	0	50	0.0	-69.87	369.08	5.96	-63.91
O=C([O-])C1(O)CCCN(C(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013744971	1	50	0.0	-71.72	362.98	5.66	-66.06
O=C([O-])C1CC(NC(=O)NCC2CCCC[N@@H+]2C2CC2)C2=CC=CC=C21	REAL300013744972	0	53	0.0	-68.22	394.55	8.69	-59.53
O=C([O-])C1CC(NC(=O)NCC2CCCC[N@H+]2C2CC2)C2=CC=CC=C21	REAL300013744972	1	53	0.0	-67.83	394.05	8.74	-59.09
O=C([O-])CN1CCCCC(NC(=O)NCC2CCCC[N@@H+]2C2CC2)C1=O	REAL300013744973	0	56	0.0	-78.50	411.23	8.22	-70.28
O=C([O-])CN1CCCCC(NC(=O)NCC2CCCC[N@H+]2C2CC2)C1=O	REAL300013744973	1	56	0.0	-74.61	411.29	8.20	-66.41
COCC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CC1	REAL300013744974	0	56	0.0	-70.17	397.90	7.49	-62.68
COCC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@H+]2C2CC2)CC1	REAL300013744974	1	56	0.0	-71.79	398.13	8.15	-63.64
O=C([O-])C12CC(NC(=O)NCC3CCCC[N@@H+]3C3CC3)(C1)C2	REAL300013744975	0	47	0.0	-71.97	360.68	6.71	-65.26
O=C([O-])C12CC(NC(=O)NCC3CCCC[N@H+]3C3CC3)(C1)C2	REAL300013744975	1	47	0.0	-73.18	354.17	6.41	-66.77
O=C([O-])CC1(CNC(=O)NCC2CCCC[N@@H+]2C2CC2)CCCCC1	REAL300013744976	0	58	0.0	-63.65	398.58	8.36	-55.29
O=C([O-])CC1(CNC(=O)NCC2CCCC[N@H+]2C2CC2)CCCCC1	REAL300013744976	1	58	0.0	-71.57	400.12	8.41	-63.16
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2CCCC[N@@H+]2C2CC2)CC1	REAL300013744977	0	52	0.0	-64.27	372.17	7.82	-56.45
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2CCCC[N@H+]2C2CC2)CC1	REAL300013744977	1	52	0.0	-63.12	373.24	7.76	-55.36
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2CCCC[N@@H+]2C2CC2)CC1	REAL300013744978	0	55	0.0	-71.63	405.70	8.43	-63.20
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2CCCC[N@H+]2C2CC2)CC1	REAL300013744978	1	55	0.0	-71.72	396.77	8.60	-63.12
O=C([O-])CC1CCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CC1	REAL300013744979	0	52	0.0	-62.80	377.63	9.09	-53.71
O=C([O-])CC1CCN(C(=O)NCC2CCCC[N@H+]2C2CC2)CC1	REAL300013744979	1	52	0.0	-62.95	377.25	9.05	-53.90
O=C([O-])COC1CCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CC1	REAL300013744980	0	53	0.0	-70.87	394.23	8.51	-62.36
O=C([O-])COC1CCN(C(=O)NCC2CCCC[N@H+]2C2CC2)CC1	REAL300013744980	1	53	0.0	-69.42	393.79	8.44	-60.98
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013744981	0	52	0.0	-66.32	384.99	7.66	-58.66
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013744981	1	52	0.0	-67.11	378.48	7.36	-59.75
O=C([O-])C1CCCC(NC(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013744982	0	52	0.0	-64.50	381.45	8.13	-56.37
O=C([O-])C1CCCC(NC(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013744982	1	52	0.0	-65.11	376.49	7.88	-57.23
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+]2C2CC2)CCCOC1	REAL300013744983	0	53	0.0	-58.83	379.95	5.99	-52.84
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+]2C2CC2)CCCOC1	REAL300013744983	1	53	0.0	-58.96	379.06	5.81	-53.15
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+]2C2CC2)CCOC1	REAL300013744984	0	50	0.0	-59.10	364.77	4.97	-54.13
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+]2C2CC2)CCOC1	REAL300013744984	1	50	0.0	-58.78	367.97	4.91	-53.87
CC(C)(CC1=CC=C(CNC(=O)NCC2CCCC[N@@H+]2C2CC2)C=C1)C(=O)[O-]	REAL300013744985	0	61	0.0	-72.26	450.01	10.12	-62.14
CC(C)(CC1=CC=C(CNC(=O)NCC2CCCC[N@H+]2C2CC2)C=C1)C(=O)[O-]	REAL300013744985	1	61	0.0	-71.98	451.04	10.06	-61.92
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1CCCC[N@@H+]1C1CC1)C2	REAL300013744986	0	47	0.0	-65.10	362.02	7.17	-57.93
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1CCCC[N@H+]1C1CC1)C2	REAL300013744986	1	47	0.0	-63.66	353.22	7.39	-56.27
O=C([O-])C1CN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CC12CCC2	REAL300013744987	0	53	0.0	-58.64	385.59	9.12	-49.52
O=C([O-])C1CN(C(=O)NCC2CCCC[N@H+]2C2CC2)CC12CCC2	REAL300013744987	1	53	0.0	-59.57	377.70	8.84	-50.73
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013744988	0	49	0.0	-62.62	379.92	8.27	-54.35
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013744988	1	49	0.0	-62.71	371.34	8.47	-54.24
CC1(C(=O)[O-])CN(C(=O)NCC2CCCC[N@@H+]2C2CC2)CCO1	REAL300013744989	0	50	0.0	-73.45	367.72	7.65	-65.80
CC1(C(=O)[O-])CN(C(=O)NCC2CCCC[N@H+]2C2CC2)CCO1	REAL300013744989	1	50	0.0	-74.69	359.97	7.24	-67.45
COC1CC(C(=O)[O-])CN(C(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013744990	0	53	0.0	-74.85	390.81	7.47	-67.38
COC1CC(C(=O)[O-])CN(C(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013744990	1	53	0.0	-56.71	384.34	7.10	-49.61
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1CCCC[N@@H+]1C1CC1)C2	REAL300013744991	0	47	0.0	-71.81	361.02	7.18	-64.63
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1CCCC[N@H+]1C1CC1)C2	REAL300013744991	1	47	0.0	-72.89	354.50	6.88	-66.01
CC1CC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC(C)(C)C1	REAL300013745022	1	60	0.0	-35.36	430.25	8.70	-26.66
CCS(=O)(=O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013745096	1	51	0.0	-47.00	415.31	4.69	-42.31
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300013745183	1	45	0.0	-36.48	371.97	7.74	-28.74
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300013745253	1	45	0.0	-36.34	371.92	7.74	-28.60
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC(O)=C1	REAL300013745311	1	46	0.0	-42.89	361.69	4.26	-38.63
COC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=C1	REAL300013745367	1	45	0.0	-37.72	357.70	3.69	-34.03
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C3CCCCC3=N2)CC1	REAL300013745434	1	51	0.0	-36.74	390.67	6.83	-29.91
CCOC1CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)(N2CCOCC2)C1	REAL300013745509	1	62	0.0	-36.54	453.46	3.56	-32.98
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC3=CC([N+](=O)[O-])=CC=C3N2)CC1	REAL300013745577	1	47	0.0	-43.54	387.53	5.65	-37.89
CC1=CC=CC=C1C(CC(F)(F)F)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013745648	1	51	0.0	-37.12	391.81	8.15	-28.97
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1Cl	REAL300013745716	1	45	0.0	-37.30	380.66	8.41	-28.89
CCOC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013745792	1	52	0.0	-41.07	407.88	7.18	-33.89
O=C([O-])C1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	REAL300013745835	0	49	0.0	-72.74	357.42	8.38	-64.36
O=C([O-])C1=CC=C(CNC(=O)NCC2CC[NH+](C3CC3)CC2)C=C1	REAL300013745836	0	49	0.0	-75.17	381.46	8.01	-67.16
O=C([O-])C1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)CCO1	REAL300013745837	0	47	0.0	-78.27	350.55	6.83	-71.44
O=C([O-])C1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1	REAL300013745838	0	52	0.0	-77.48	384.10	7.70	-69.78
O=C([O-])C1=CC(CNC(=O)NCC2CC[NH+](C3CC3)CC2)=CC=C1	REAL300013745839	0	49	0.0	-74.47	381.47	7.99	-66.48
O=C([O-])CCCCCNC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300013745840	0	51	0.0	-73.61	386.70	7.46	-66.15
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	REAL300013745841	0	59	0.0	-77.56	433.57	11.82	-65.74
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300013745842	0	49	0.0	-77.05	366.13	8.22	-68.83
CC1CC(C(=O)[O-])CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300013745843	0	52	0.0	-78.74	379.23	8.98	-69.76
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	REAL300013745844	0	52	0.0	-74.79	371.62	8.69	-66.10
CC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1C(=O)[O-]	REAL300013745845	0	52	0.0	-77.63	378.04	9.03	-68.60
O=C([O-])C1(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CCOCC1	REAL300013745846	0	53	0.0	-61.83	384.79	5.88	-55.95
CC(C)(CCNC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300013745847	0	51	0.0	-70.48	376.41	6.78	-63.70
CCC(CC)(CNC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300013745848	0	54	0.0	-64.45	389.30	7.58	-56.87
CC(C)C(CNC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300013745849	0	51	0.0	-63.17	373.03	7.19	-55.98
CC(NC(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013745850	0	58	0.0	-76.89	424.21	9.14	-67.75
CC(CNC(=O)NCC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013745851	0	55	0.0	-65.18	408.67	9.42	-55.76
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300013745852	0	49	0.0	-66.92	365.13	7.16	-59.76
O=C([O-])CCC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	REAL300013745853	0	55	0.0	-75.78	398.22	9.83	-65.95
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1CC[NH+](C3CC3)CC1)C2	REAL300013745854	0	51	0.0	-72.94	379.40	6.88	-66.06
O=C([O-])C1(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CCCC1	REAL300013745855	0	52	0.0	-63.83	382.16	7.95	-55.88
CC1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)CCC1C(=O)[O-]	REAL300013745856	0	52	0.0	-72.21	370.88	9.11	-63.10
O=C([O-])C1(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CCC1	REAL300013745857	0	49	0.0	-62.03	365.08	7.11	-54.92
O=C([O-])CC(CNC(=O)NCC1CC[NH+](C2CC2)CC1)C1CC1	REAL300013745858	0	52	0.0	-75.21	389.21	7.88	-67.33
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	REAL300013745859	0	52	0.0	-74.79	371.62	8.69	-66.10
CC(C)C[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)CC(=O)[O-]	REAL300013745860	0	57	0.0	-72.88	410.19	8.33	-64.55
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300013745861	0	49	0.0	-69.34	375.07	8.13	-61.21
COCC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300013745862	0	53	0.0	-81.75	392.93	7.87	-73.88
O=C([O-])CN1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1	REAL300013745863	0	54	0.0	-72.26	397.21	5.55	-66.71
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3CC[NH+](C4CC4)CC3)C2)C=N1	REAL300013745864	0	59	0.0	-63.82	440.84	9.67	-54.15
O=C([O-])[C@@H]1CCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300013745865	0	49	0.0	-77.95	362.18	8.57	-69.38
O=C([O-])[C@H]1CCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300013745866	0	49	0.0	-60.14	363.36	8.63	-51.51
O=C([O-])C1=CC(CNC(=O)NCC2CC[NH+](C3CC3)CC2)=CC=C1	REAL300013745867	0	49	0.0	-74.47	381.47	7.99	-66.48
COC(=O)C1CC2(C1)CN(C(=O)NCC1CC[NH+](C3CC3)CC1)CC2C(=O)[O-]	REAL300013745868	0	59	0.0	-65.56	441.46	9.87	-55.69
O=C([O-])CCC1CCCCN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300013745869	0	55	0.0	-81.55	391.45	9.75	-71.80
O=C([O-])CCCCCCCNC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300013745870	0	57	0.0	-75.66	429.70	9.02	-66.64
O=C([O-])CCCCCCNC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300013745871	0	54	0.0	-76.71	408.20	8.24	-68.47
CC1(C(=O)[O-])CCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300013745872	0	52	0.0	-79.22	377.61	9.31	-69.91
COCC1(C(=O)[O-])CCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300013745873	0	56	0.0	-82.09	404.56	8.92	-73.17
COCCN(CCC(=O)[O-])C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300013745874	0	52	0.0	-57.42	393.02	7.65	-49.77
O=C([O-])[C@]12CN(C(=O)NCC3CC[NH+](C4CC4)CC3)C[C@H]1C1=CC=CC=C1OC2	REAL300013745875	0	58	0.0	-80.25	435.13	10.11	-70.14
O=C([O-])CCC1CCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300013745876	0	55	0.0	-78.06	402.99	10.04	-68.02
O=C([O-])C1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC2=CC=CC=C21	REAL300013745877	0	53	0.0	-82.53	390.80	11.14	-71.39
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)CCO1	REAL300013745878	0	60	0.0	-67.17	446.35	9.02	-58.15
O=C([O-])C(=O)N1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	REAL300013745879	0	50	0.0	-71.24	370.66	7.16	-64.08
CC1CCC(C(=O)[O-])CN1C(=O)NCC1CC[NH+](C2CC2)CC1	REAL300013745880	0	52	0.0	-59.09	373.63	8.94	-50.15
O=C([O-])[C@@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1C1=CC=CC=C1	REAL300013745881	0	56	0.0	-64.89	425.38	11.19	-53.70
O=C([O-])C1(O)CCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300013745882	0	50	0.0	-76.21	367.85	5.93	-70.28
O=C([O-])C1CC(NC(=O)NCC2CC[NH+](C3CC3)CC2)C2=CC=CC=C21	REAL300013745883	0	53	0.0	-73.31	404.15	9.24	-64.07
O=C([O-])CN1CCCCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)C1=O	REAL300013745884	0	56	0.0	-88.22	409.81	8.22	-80.00
COCC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1	REAL300013745885	0	56	0.0	-74.96	401.81	8.56	-66.40
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CC[NH+](CC)C(CNC(=O)N1CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013746753	0	48	0.0	-59.69	357.59	7.91	-51.78
CC[NH+](CC)C(CNC(=O)N1CC(OC)CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013746754	0	58	0.0	-79.43	408.68	9.00	-70.43
CC[NH+](CC)C(CNC(=O)N1CCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013746755	0	51	0.0	-69.81	367.25	9.38	-60.43
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CC=C1	REAL300013746756	0	52	0.0	-74.39	382.07	9.10	-65.29
CC[NH+](CC)C(CNC(=O)NC(C)CCC(=O)[O-])C1=CC=CC=C1	REAL300013746757	0	53	0.0	-62.07	392.94	8.47	-53.60
O=C([O-])C1CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1	REAL300013746758	0	49	0.0	-68.22	370.34	8.64	-59.58
O=C([O-])C1=CC=C(CNC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C=C1	REAL300013746759	0	49	0.0	-73.97	394.43	8.28	-65.69
O=C([O-])C1CN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCO1	REAL300013746760	0	47	0.0	-76.09	363.44	7.10	-68.99
O=C([O-])C1CCC(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1	REAL300013746761	0	52	0.0	-76.72	397.16	7.98	-68.74
O=C([O-])CCCCNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013746762	0	48	0.0	-73.61	378.17	6.95	-66.66
O=C([O-])C1=CC(CNC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)=CC=C1	REAL300013746763	0	49	0.0	-73.23	394.53	8.29	-64.94
O=C([O-])CCNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013746764	0	42	0.0	-68.93	335.17	5.38	-63.55
O=C([O-])CCCCCNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013746765	0	51	0.0	-71.90	399.67	7.73	-64.17
CC(C)(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300013746766	0	48	0.0	-73.18	370.61	6.83	-66.35
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746767	0	49	0.0	-71.88	377.51	8.22	-63.66
CC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746768	0	52	0.0	-50.53	392.00	9.25	-41.28
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1	REAL300013746769	0	52	0.0	-70.61	382.33	8.79	-61.82
O=C([O-])CCCNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013746770	0	45	0.0	-66.37	356.67	6.17	-60.20
CC1CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1C(=O)[O-]	REAL300013746771	0	52	0.0	-49.16	386.58	9.10	-40.06
O=C([O-])C1(CNC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCOCC1	REAL300013746772	0	53	0.0	-57.96	396.85	6.35	-51.61
CC(C)(CCNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300013746773	0	51	0.0	-67.31	389.96	7.05	-60.26
CCC(CC)(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300013746774	0	54	0.0	-55.90	397.55	8.02	-47.88
CC(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300013746775	0	45	0.0	-71.18	354.53	6.16	-65.02
CC(C)C(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300013746776	0	51	0.0	-54.09	385.54	7.45	-46.64
CC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013746777	0	58	0.0	-74.94	429.74	8.76	-66.18
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746778	0	49	0.0	-62.45	378.04	7.44	-55.01
O=C([O-])CCC1CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1	REAL300013746779	0	55	0.0	-71.22	411.20	10.10	-61.12
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C2	REAL300013746780	0	51	0.0	-69.32	388.70	6.84	-62.48
O=C([O-])C1(CNC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCCC1	REAL300013746781	0	52	0.0	-57.40	395.00	8.25	-49.15
CC1CN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCC1C(=O)[O-]	REAL300013746782	0	52	0.0	-68.94	383.77	9.37	-59.57
O=C([O-])C1(CNC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCC1	REAL300013746783	0	49	0.0	-54.77	377.92	7.41	-47.36
O=C([O-])CC(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CC1	REAL300013746784	0	52	0.0	-69.81	402.48	8.18	-61.63
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1	REAL300013746785	0	52	0.0	-70.61	382.33	8.79	-61.82
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)CC(=O)[O-]	REAL300013746786	0	57	0.0	-64.10	421.98	8.52	-55.58
O=C([O-])C1=CC=CC=C1CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013746787	0	49	0.0	-59.74	388.04	8.39	-51.35
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746788	0	53	0.0	-73.01	408.37	7.34	-65.67
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746789	0	46	0.0	-66.28	373.08	7.23	-59.05
O=C([O-])CN1CCC(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1	REAL300013746790	0	54	0.0	-70.82	410.14	5.82	-65.00
O=C([O-])[C@@H]1CCCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746791	0	49	0.0	-50.23	369.75	8.57	-41.66
O=C([O-])[C@H]1CCCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746792	0	49	0.0	-72.82	382.54	9.17	-63.65
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746793	0	46	0.0	-66.98	362.23	6.75	-60.23
O=C([O-])[C@H]1C[C@H](NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746794	0	46	0.0	-69.01	372.20	7.26	-61.75
O=C([O-])C1=CC(CNC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)=CC=C1	REAL300013746795	0	49	0.0	-73.23	394.53	8.29	-64.94
CCC(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300013746796	0	48	0.0	-54.04	370.25	7.02	-47.02
O=C([O-])CCC1CCCCN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013746797	0	55	0.0	-78.76	405.46	10.04	-68.72
O=C([O-])CCCCCCCNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013746798	0	57	0.0	-74.64	442.66	9.29	-65.35
O=C([O-])CCCCCCNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013746799	0	54	0.0	-75.65	421.16	8.51	-67.14
CN(CCCC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013746800	0	48	0.0	-73.18	374.30	8.56	-64.62
CC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746801	0	52	0.0	-52.17	384.38	9.31	-42.86
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746802	0	56	0.0	-81.61	418.20	8.56	-73.05
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013746803	0	52	0.0	-45.29	405.42	7.95	-37.34
O=C([O-])CCC1CCCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746804	0	55	0.0	-77.54	411.55	10.12	-67.42
O=C([O-])C1CN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC2=CC=CC=C21	REAL300013746805	0	53	0.0	-75.27	404.49	11.16	-64.11
O=C([O-])C(=O)N1CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1	REAL300013746806	0	50	0.0	-64.10	384.52	7.36	-56.74
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013746807	0	52	0.0	-50.75	387.01	9.20	-41.55
O=C([O-])C1(O)CCCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746808	0	50	0.0	-73.73	380.81	6.23	-67.50
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C2=CC=CC=C21	REAL300013746809	0	53	0.0	-68.82	414.86	9.42	-59.40
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1	REAL300013746810	0	56	0.0	-73.92	413.32	8.73	-65.19
O=C([O-])C12CC(NC(=O)NCC(C3=CC=CS3)[NH+]3CCCC3)(C1)C2	REAL300013746811	0	47	0.0	-76.25	371.75	7.00	-69.25
O=C([O-])CC1(CNC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCCCC1	REAL300013746812	0	58	0.0	-63.58	418.32	9.05	-54.53
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1	REAL300013746813	0	52	0.0	-65.19	403.64	8.90	-56.29
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1	REAL300013746814	0	55	0.0	-73.40	415.70	8.64	-64.76
O=C([O-])CC1CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1	REAL300013746815	0	52	0.0	-62.35	388.89	9.32	-53.03
O=C([O-])COC1CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1	REAL300013746816	0	53	0.0	-73.79	405.41	8.73	-65.06
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746817	0	52	0.0	-68.90	396.98	8.00	-60.90
O=C([O-])C1CCCC(NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746818	0	52	0.0	-65.46	392.68	8.39	-57.07
O=C([O-])C1(CNC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCCOC1	REAL300013746819	0	53	0.0	-53.19	398.99	6.53	-46.66
O=C([O-])C1(CNC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCOC1	REAL300013746820	0	50	0.0	-54.90	383.91	5.52	-49.38
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C2	REAL300013746821	0	47	0.0	-65.37	373.50	7.45	-57.92
O=C([O-])C1(CNC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC1	REAL300013746822	0	46	0.0	-52.61	362.40	7.13	-45.48
O=C([O-])C1CN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CC12CCC2	REAL300013746823	0	53	0.0	-59.35	399.48	9.48	-49.87
CC1(C(=O)[O-])CN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCO1	REAL300013746824	0	50	0.0	-77.92	379.15	7.92	-70.00
O=C([O-])C1CN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746825	0	43	0.0	-61.47	342.73	7.04	-54.43
COC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746826	0	53	0.0	-75.08	411.92	8.22	-66.86
O=C([O-])C1CCN(C(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013746827	0	46	0.0	-71.33	357.78	7.74	-63.59
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C2	REAL300013746828	0	47	0.0	-73.42	383.71	7.96	-65.46
CC(CCC(=O)[O-])NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013746829	0	48	0.0	-62.97	376.42	7.19	-55.78
CN(CCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013746875	1	53	0.0	-37.20	405.92	7.69	-29.51
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC2=CC=CC=C21	REAL300013746951	1	51	0.0	-37.72	392.27	9.28	-28.44
O=C([O-])C1CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013746993	0	49	0.0	-73.50	370.72	9.24	-64.26
O=C([O-])C1CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013746993	1	49	0.0	-75.47	373.08	9.42	-66.05
O=C([O-])C1=CC=C(CNC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013746994	0	49	0.0	-79.52	394.81	8.89	-70.63
O=C([O-])C1=CC=C(CNC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013746994	1	49	0.0	-80.19	397.19	9.07	-71.12
O=C([O-])C1CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300013746995	0	47	0.0	-82.10	365.84	7.86	-74.24
O=C([O-])C1CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300013746995	1	47	0.0	-64.54	364.31	7.74	-56.80
O=C([O-])C1CCC(NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013746996	0	52	0.0	-81.52	399.73	8.74	-72.78
O=C([O-])C1CCC(NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013746996	1	52	0.0	-70.73	395.40	9.19	-61.54
O=C([O-])CCCCNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013746997	0	48	0.0	-78.14	378.51	7.56	-70.58
O=C([O-])CCCCNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013746997	1	48	0.0	-78.82	380.92	7.75	-71.07
O=C([O-])C1=CC(CNC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1	REAL300013746998	0	49	0.0	-79.38	397.95	9.07	-70.31
O=C([O-])C1=CC(CNC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1	REAL300013746998	1	49	0.0	-79.65	397.19	9.06	-70.59
O=C([O-])CCCCCNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013746999	0	51	0.0	-76.98	400.01	8.34	-68.64
O=C([O-])CCCCCNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013746999	1	51	0.0	-77.60	402.42	8.53	-69.07
CC(C)(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013747000	0	48	0.0	-78.69	373.02	7.66	-71.03
CC(C)(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013747000	1	48	0.0	-78.99	373.36	7.63	-71.36
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013747001	0	49	0.0	-76.23	375.99	9.00	-67.23
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013747001	1	49	0.0	-76.16	377.21	9.03	-67.13
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013747002	0	52	0.0	-61.55	388.97	10.14	-51.41
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013747002	1	52	0.0	-61.21	394.02	9.98	-51.23
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013747003	0	52	0.0	-78.07	386.25	9.64	-68.43
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013747003	1	52	0.0	-77.20	386.31	9.65	-67.55
O=C([O-])CCCNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013747004	0	45	0.0	-73.24	359.09	6.96	-66.28
O=C([O-])CCCNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013747004	1	45	0.0	-73.24	359.42	6.97	-66.27
CC1CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300013747005	0	52	0.0	-81.22	389.67	9.86	-71.36
CC1CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300013747005	1	52	0.0	-59.47	390.11	9.87	-49.60
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013747006	0	53	0.0	-66.98	399.17	7.12	-59.86
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013747006	1	53	0.0	-65.52	401.87	6.93	-58.59
CC(C)(CCNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013747007	0	51	0.0	-73.60	390.30	7.67	-65.93
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O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300013747057	1	50	0.0	-64.65	385.94	6.26	-58.39
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300013747058	0	47	0.0	-74.71	376.58	8.23	-66.48
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300013747058	1	47	0.0	-73.92	376.07	8.24	-65.68
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013747059	0	46	0.0	-61.75	362.61	7.74	-54.01
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013747059	1	46	0.0	-62.79	364.44	7.87	-54.92
O=C([O-])C1CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CC12CCC2	REAL300013747060	0	53	0.0	-67.84	401.31	10.18	-57.66
O=C([O-])C1CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCC2	REAL300013747060	1	53	0.0	-67.38	401.59	10.19	-57.19
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013747061	0	49	0.0	-67.37	391.61	9.09	-58.28
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013747061	1	49	0.0	-71.16	393.82	9.28	-61.88
CC1(C(=O)[O-])CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300013747062	0	50	0.0	-82.18	379.10	8.49	-73.69
CC1(C(=O)[O-])CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300013747062	1	50	0.0	-82.99	381.19	8.66	-74.33
O=C([O-])C1CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013747063	0	43	0.0	-68.90	342.50	7.67	-61.23
O=C([O-])C1CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013747063	1	43	0.0	-69.55	345.89	7.73	-61.82
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013747064	0	53	0.0	-62.42	403.89	8.38	-54.04
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013747064	1	53	0.0	-62.05	404.48	8.47	-53.58
O=C([O-])C1CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013747065	0	46	0.0	-77.28	360.20	8.49	-68.79
O=C([O-])C1CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013747065	1	46	0.0	-77.40	360.55	8.54	-68.86
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300013747066	0	47	0.0	-80.81	375.27	8.21	-72.60
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300013747066	1	47	0.0	-80.06	373.40	8.11	-71.95
CC(CCC(=O)[O-])NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013747067	0	48	0.0	-71.01	378.94	7.97	-63.04
CC(CCC(=O)[O-])NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013747067	1	48	0.0	-70.52	379.14	7.97	-62.55
CCN(CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC(C)=C1	REAL300013747100	1	56	0.0	-38.56	424.29	8.44	-30.12
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CS1	REAL300013747154	1	42	0.0	-35.03	342.25	6.19	-28.84
CC[NH+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013747180	0	45	0.0	-76.15	354.39	6.77	-69.38
CC[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013747181	0	45	0.0	-76.24	354.39	6.76	-69.48
CC[NH+]1CCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013747182	0	55	0.0	-73.46	403.31	10.46	-63.00
CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013747183	0	49	0.0	-63.40	357.71	4.65	-58.75
CC[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013747184	0	54	0.0	-75.89	389.47	7.21	-68.68
CC[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013747185	0	51	0.0	-65.18	381.13	8.16	-57.02
CC[NH+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013747186	0	51	0.0	-73.91	371.08	8.61	-65.30
CC[NH+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013747187	0	47	0.0	-74.28	348.64	5.31	-68.97
CC[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013747188	0	53	0.0	-70.00	383.14	7.05	-62.95
CC[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013747189	0	45	0.0	-70.41	348.00	6.88	-63.53
CC[NH+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])C2)CC1	REAL300013747190	0	49	0.0	-78.00	368.51	5.99	-72.01
CC[NH+]1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013747191	0	50	0.0	-72.49	370.13	4.29	-68.20
CC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)CC1	REAL300013747192	0	55	0.0	-79.84	413.88	8.43	-71.41
CC[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013747193	0	45	0.0	-76.24	354.39	6.76	-69.48
CC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)CC1	REAL300013747194	0	55	0.0	-70.13	414.93	8.64	-61.49
CC[NH+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013747195	0	51	0.0	-78.12	364.41	8.53	-69.59
CC[NH+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013747196	0	53	0.0	-75.35	402.63	7.79	-67.56
CC[NH+]1CCC(NC(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300013747197	0	52	0.0	-81.87	378.17	7.03	-74.84
CC[NH+]1CCC(NC(=O)N(CCOC)CCC(=O)[O-])CC1	REAL300013747198	0	48	0.0	-60.37	365.95	6.41	-53.96
CC[NH+]1CCC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)CC1	REAL300013747199	0	54	0.0	-79.24	404.44	8.61	-70.63
CC[NH+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013747200	0	51	0.0	-76.76	371.53	8.57	-68.19
CC[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013747201	0	49	0.0	-77.37	363.80	9.89	-67.48
CC[NH+]1CCC(NC(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)CC1	REAL300013747202	0	56	0.0	-75.16	419.32	7.76	-67.40
CC[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013747203	0	46	0.0	-68.48	343.56	5.92	-62.56
CC[NH+]1CCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013747204	0	52	0.0	-67.05	393.88	9.73	-57.32
CC[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013747205	0	49	0.0	-72.36	372.60	7.76	-64.60
CC[NH+]1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013747206	0	52	0.0	-83.72	382.72	6.97	-76.75
CC[NH+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300013747207	0	52	0.0	-77.98	375.88	6.56	-71.42
CC[NH+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013747208	0	54	0.0	-69.63	378.03	7.44	-62.19
CC[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013747209	0	51	0.0	-74.94	375.46	7.15	-67.79
CC[NH+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013747210	0	49	0.0	-76.17	365.30	7.21	-68.96
CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013747211	0	49	0.0	-67.65	361.86	5.29	-62.36
CC[NH+]1CCC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013747212	0	57	0.0	-75.03	429.03	9.15	-65.88
CC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013747213	0	49	0.0	-66.01	358.89	7.93	-58.08
CC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013747214	0	45	0.0	-66.78	350.58	6.98	-59.80
CC[NH+]1CCC(NC(=O)N2CC(OC)CC(C(=O)[O-])C2)CC1	REAL300013747215	0	49	0.0	-62.04	364.01	6.14	-55.90
CC[NH+]1CCC(NC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)CC1	REAL300013747216	0	54	0.0	-83.38	409.73	5.70	-77.68
COC1=CC=CC=C1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013747245	1	49	0.0	-42.53	382.97	6.41	-36.12
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=CC=C2)C2=CC=CC=N2)CC1	REAL300013747317	1	51	0.0	-37.48	406.04	8.56	-28.92
COC1=CC=CC(C(CNC(=O)N2CCC(C(=O)[O-])CC2)[NH+]2CCCC2)=C1	REAL300013747359	0	56	0.0	-71.40	413.91	9.88	-61.52
COC1=CC=CC(C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)[NH+]2CCCC2)=C1	REAL300013747360	0	56	0.0	-74.07	431.16	8.54	-65.53
COC1=CC=CC(C(CNC(=O)N2CCOC(C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747361	0	54	0.0	-76.30	406.40	8.43	-67.87
COC1=CC=CC(C(CNC(=O)NC2CCC(C(=O)[O-])CC2)[NH+]2CCCC2)=C1	REAL300013747362	0	59	0.0	-65.73	434.85	9.60	-56.13
COC1=CC=CC(C(CNC(=O)NCCCCC(=O)[O-])[NH+]2CCCC2)=C1	REAL300013747363	0	55	0.0	-73.18	414.90	7.21	-65.97
COC1=CC=CC(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+]2CCCC2)=C1	REAL300013747364	0	56	0.0	-75.76	437.97	9.51	-66.25
COC1=CC=CC(C(CNC(=O)NCCC(=O)[O-])[NH+]2CCCC2)=C1	REAL300013747365	0	49	0.0	-68.46	371.90	5.64	-62.82
COC1=CC=CC(C(CNC(=O)NCCCCCC(=O)[O-])[NH+]2CCCC2)=C1	REAL300013747366	0	58	0.0	-71.81	436.40	7.99	-63.82
COC1=CC=CC(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300013747367	0	55	0.0	-72.62	406.76	7.11	-65.51
COC1=CC=CC(C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747368	0	56	0.0	-73.56	421.06	9.46	-64.10
COC1=CC=CC(C(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747369	0	59	0.0	-54.80	431.12	10.73	-44.07
COC1=CC=CC(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+]2CCCC2)=C1	REAL300013747370	0	59	0.0	-72.32	426.88	10.32	-62.00
COC1=CC=CC(C(CNC(=O)NCCCC(=O)[O-])[NH+]2CCCC2)=C1	REAL300013747371	0	52	0.0	-66.28	393.40	6.43	-59.85
COC1=CC=CC(C(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747372	0	59	0.0	-74.87	423.11	9.32	-65.55
COC1=CC=CC(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300013747373	0	58	0.0	-67.30	426.69	7.32	-59.98
CCC(CC)(CNC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013747374	0	61	0.0	-55.61	438.99	8.11	-47.50
COC1=CC=CC(C(CNC(=O)NCC(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300013747375	0	52	0.0	-71.92	398.08	7.50	-64.42
COC1=CC=CC(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]2CCCC2)=C1	REAL300013747376	0	58	0.0	-61.34	436.01	8.67	-52.67
COC1=CC=CC(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747377	0	56	0.0	-63.78	421.80	8.78	-55.00
COC1=CC=CC(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)=C1	REAL300013747378	0	59	0.0	-55.13	438.68	9.56	-45.57
COC1=CC=CC(C(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)[NH+]2CCCC2)=C1	REAL300013747379	0	59	0.0	-70.36	426.41	10.69	-59.67
COC1=CC=CC(C(CNC(=O)NCC2(C(=O)[O-])CCC2)[NH+]2CCCC2)=C1	REAL300013747380	0	56	0.0	-57.90	420.69	8.76	-49.14
COC1=CC=CC(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)[NH+]2CCCC2)=C1	REAL300013747381	0	59	0.0	-69.05	446.56	9.49	-59.56
COC1=CC=CC(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+]2CCCC2)=C1	REAL300013747382	0	59	0.0	-72.32	426.88	10.32	-62.00
COC1=CC=CC(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300013747383	0	56	0.0	-59.29	431.80	9.74	-49.55
COC1=CC=CC(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747384	0	53	0.0	-68.37	405.25	8.09	-60.28
COC1=CC=CC(C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747385	0	56	0.0	-52.77	413.26	9.70	-43.07
COC1=CC=CC(C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747386	0	56	0.0	-74.48	419.13	9.37	-65.11
COC1=CC=CC(C(CNC(=O)NC2CC(C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747387	0	53	0.0	-67.23	398.87	7.00	-60.23
COC1=CC=CC(C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747388	0	53	0.0	-71.83	409.25	7.49	-64.34
COC1=CC=CC(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+]2CCCC2)=C1	REAL300013747389	0	56	0.0	-75.76	437.97	9.51	-66.25
CCC(CNC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013747390	0	55	0.0	-56.88	419.22	8.18	-48.70
COC1=CC=CC(C(CNC(=O)NCCCCCCC(=O)[O-])[NH+]2CCCC2)=C1	REAL300013747391	0	61	0.0	-75.48	457.90	8.78	-66.70
COC1=CC=CC(C(CNC(=O)N(C)CCCC(=O)[O-])[NH+]2CCCC2)=C1	REAL300013747392	0	55	0.0	-70.68	411.03	8.82	-61.86
COC1=CC=CC(C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747393	0	59	0.0	-77.36	429.85	10.82	-66.54
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1	REAL300013747394	0	59	0.0	-49.02	442.72	8.17	-40.85
COC1=CC=CC(C(CNC(=O)N2CC(C(=O)[O-])CCC2C)[NH+]2CCCC2)=C1	REAL300013747395	0	59	0.0	-50.97	421.97	9.50	-41.47
COC1=CC=CC(C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747396	0	57	0.0	-73.86	423.88	7.66	-66.20
COC1=CC=CC(C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)[NH+]2CCCC2)=C1	REAL300013747397	0	54	0.0	-75.79	408.61	7.22	-68.57
COC1=CC=CC(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)[NH+]2CCCC2)=C1	REAL300013747398	0	59	0.0	-65.57	435.19	9.77	-55.80
COC1=CC=CC(C(CNC(=O)N2CCC(CC(=O)[O-])CC2)[NH+]2CCCC2)=C1	REAL300013747399	0	59	0.0	-64.83	432.45	10.58	-54.25
COC1=CC=CC(C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747400	0	59	0.0	-71.35	443.76	8.64	-62.71
COC1=CC=CC(C(CNC(=O)NC2CCCC(C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747401	0	59	0.0	-68.89	433.28	8.22	-60.67
COC1=CC=CC(C(CNC(=O)NCC2(C(=O)[O-])CCOC2)[NH+]2CCCC2)=C1	REAL300013747402	0	57	0.0	-55.24	427.35	6.74	-48.50
COC1=CC=CC(C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+]2CCCC2)=C1	REAL300013747403	0	54	0.0	-66.26	416.88	8.81	-57.45
COC1=CC=CC(C(CNC(=O)NCC2(C(=O)[O-])CC2)[NH+]2CCCC2)=C1	REAL300013747404	0	53	0.0	-52.06	405.86	8.45	-43.61
COC1=CC=CC(C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747405	0	57	0.0	-57.32	422.31	9.30	-48.02
COC1=CC=CC(C(CNC(=O)N2CC(C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747406	0	50	0.0	-60.42	379.64	7.21	-53.21
COC1=CC=CC(C(CNC(=O)N2CCC(C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013747407	0	53	0.0	-71.05	401.33	8.98	-62.07
COC1=CC=CC(C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+]2CCCC2)=C1	REAL300013747408	0	54	0.0	-75.80	419.99	8.17	-67.63
COC1=CC=CC(C(CNC(=O)NC(C)CCC(=O)[O-])[NH+]2CCCC2)=C1	REAL300013747409	0	55	0.0	-63.49	419.98	8.53	-54.96
O=C([O-])C1CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CC1	REAL300013747410	0	52	0.0	-70.26	396.28	11.02	-59.24
O=C([O-])C1CN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCO1	REAL300013747411	0	50	0.0	-57.73	388.97	9.42	-48.31
O=C([O-])C1CCC(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CC1	REAL300013747412	0	55	0.0	-75.44	422.37	10.39	-65.05
O=C([O-])CCCCNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300013747413	0	51	0.0	-72.05	404.14	9.07	-62.98
O=C([O-])CCNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300013747414	0	45	0.0	-67.31	361.14	7.49	-59.82
O=C([O-])CCCCCNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300013747415	0	54	0.0	-70.63	425.63	9.84	-60.79
CC(C)(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300013747416	0	51	0.0	-71.15	395.99	8.96	-62.19
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013747417	0	52	0.0	-72.01	402.91	10.54	-61.47
CC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013747418	0	55	0.0	-51.46	412.15	11.67	-39.79
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CC1	REAL300013747419	0	55	0.0	-71.58	409.43	11.14	-60.44
O=C([O-])CCCNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300013747420	0	48	0.0	-65.05	382.64	8.29	-56.76
CC1CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CC1C(=O)[O-]	REAL300013747421	0	55	0.0	-73.92	412.13	11.33	-62.59
CC(C)(CCNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300013747422	0	54	0.0	-66.06	415.92	9.16	-56.90
CCC(CC)(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300013747423	0	57	0.0	-53.60	428.23	9.96	-43.64
CC(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300013747424	0	48	0.0	-68.68	379.69	8.25	-60.43
CC(C)C(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300013747425	0	54	0.0	-54.72	418.43	9.44	-45.28
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013747426	0	52	0.0	-62.64	403.40	9.85	-52.79
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCCC1	REAL300013747427	0	55	0.0	-53.50	420.43	10.65	-42.85
CC1CN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCC1C(=O)[O-]	REAL300013747428	0	55	0.0	-72.15	409.33	11.62	-60.53
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCC1	REAL300013747429	0	52	0.0	-52.28	403.36	9.80	-42.48
O=C([O-])CC(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CC1	REAL300013747430	0	55	0.0	-71.89	427.99	10.64	-61.25
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CC1	REAL300013747431	0	55	0.0	-71.58	409.43	11.14	-60.44
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013747432	0	49	0.0	-64.42	388.38	8.87	-55.55
O=C([O-])[C@@H]1CCCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013747433	0	52	0.0	-74.20	395.82	11.02	-63.18
O=C([O-])[C@H]1CCCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013747434	0	52	0.0	-50.30	396.53	10.70	-39.60
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013747435	0	49	0.0	-65.18	387.45	9.15	-56.03
O=C([O-])[C@H]1C[C@H](NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013747436	0	49	0.0	-67.75	387.15	8.80	-58.95
CCC(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300013747437	0	51	0.0	-53.24	395.83	9.12	-44.12
O=C([O-])CCCCCCNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300013747438	0	57	0.0	-74.41	447.13	10.62	-63.79
CN(CCCC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300013747439	0	51	0.0	-72.99	400.26	10.66	-62.33
CC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013747440	0	55	0.0	-54.51	411.22	11.80	-42.71
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300013747441	0	55	0.0	-45.95	431.94	10.02	-35.93
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300013747442	0	55	0.0	-54.81	412.97	11.66	-43.15
O=C([O-])C1(O)CCCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013747443	0	53	0.0	-57.00	406.38	8.48	-48.52
O=C([O-])C12CC(NC(=O)NCC(C3=CC=CC=C3Cl)[NH+]3CCCC3)(C1)C2	REAL300013747444	0	50	0.0	-74.13	397.93	9.33	-64.80
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CC1	REAL300013747445	0	55	0.0	-59.45	417.87	10.42	-49.03
O=C([O-])CC1CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CC1	REAL300013747446	0	55	0.0	-63.64	414.81	11.70	-51.94
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013747447	0	55	0.0	-69.88	413.53	8.96	-60.92
O=C([O-])C1CCCC(NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013747448	0	55	0.0	-66.04	417.94	10.82	-55.22
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCOC1	REAL300013747449	0	53	0.0	-59.23	409.12	7.93	-51.30
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C2	REAL300013747450	0	50	0.0	-68.35	389.75	8.46	-59.89
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CC1	REAL300013747451	0	49	0.0	-50.61	387.27	9.42	-41.19
CC1(C(=O)[O-])CN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCO1	REAL300013747452	0	53	0.0	-74.32	404.54	10.22	-64.10
O=C([O-])C1CN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013747453	0	46	0.0	-59.50	368.70	9.40	-50.10
O=C([O-])C1CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013747454	0	49	0.0	-70.69	374.06	8.82	-61.87
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C2	REAL300013747455	0	50	0.0	-73.48	397.80	9.50	-63.98
CC(CCC(=O)[O-])NC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300013747456	0	51	0.0	-60.92	402.39	9.29	-51.63
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013747457	1	48	0.0	-74.52	368.47	10.08	-64.44
C[NH+](C)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1Cl	REAL300013747458	1	48	0.0	-77.15	393.84	9.80	-67.35
C[NH+](C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747459	1	46	0.0	-77.64	362.15	8.00	-69.64
C[NH+](C)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013747460	1	51	0.0	-67.55	390.22	9.25	-58.30
C[NH+](C)C(CNC(=O)NCCCCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013747461	1	47	0.0	-75.79	377.07	7.86	-67.93
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1Cl	REAL300013747462	1	48	0.0	-78.74	393.85	9.79	-68.95
C[NH+](C)C(CNC(=O)NCCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013747463	1	41	0.0	-71.30	334.07	6.27	-65.03
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013747464	1	50	0.0	-74.28	398.57	8.64	-65.64
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300013747465	1	47	0.0	-75.34	369.51	7.74	-67.60
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747466	1	48	0.0	-74.56	375.81	9.70	-64.86
CC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C1	REAL300013747467	1	51	0.0	-50.92	391.44	10.17	-40.75
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013747468	1	51	0.0	-76.92	383.43	10.48	-66.44
C[NH+](C)C(CNC(=O)NCCCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013747469	1	44	0.0	-68.77	355.57	7.07	-61.70
CC1CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)CC1C(=O)[O-]	REAL300013747470	1	51	0.0	-50.83	385.21	9.99	-40.84
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1Cl	REAL300013747471	1	52	0.0	-63.20	395.66	7.23	-55.97
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300013747472	1	50	0.0	-69.77	388.27	7.95	-61.82
CCC(CC)(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300013747473	1	53	0.0	-56.83	401.16	8.76	-48.07
CC(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300013747474	1	44	0.0	-73.49	352.62	7.04	-66.45
CC(C)C(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300013747475	1	50	0.0	-57.99	391.35	8.22	-49.77
CC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013747476	1	57	0.0	-80.32	429.53	9.67	-70.65
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747477	1	48	0.0	-65.38	378.17	8.35	-57.03
C[NH+](C)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013747478	1	54	0.0	-78.76	409.31	11.56	-67.20
C[NH+](C)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747479	1	50	0.0	-73.57	386.91	7.81	-65.76
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC=C1Cl	REAL300013747480	1	51	0.0	-64.08	394.54	9.75	-54.33
CC1CN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)CCC1C(=O)[O-]	REAL300013747481	1	51	0.0	-67.26	382.39	10.29	-56.97
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCC1)C1=CC=CC=C1Cl	REAL300013747482	1	48	0.0	-60.24	376.23	8.40	-51.84
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300013747483	1	51	0.0	-70.63	400.87	9.06	-61.57
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013747484	1	51	0.0	-76.92	383.43	10.48	-66.44
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)CC(=O)[O-]	REAL300013747485	1	56	0.0	-64.02	427.10	9.65	-54.37
C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1Cl	REAL300013747486	1	48	0.0	-59.41	387.78	9.32	-50.09
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C1	REAL300013747487	1	52	0.0	-79.24	406.66	8.81	-70.43
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747488	1	45	0.0	-68.76	362.18	7.66	-61.10
CN(C)C(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013747489	1	53	0.0	-40.48	412.61	7.45	-33.03
C[NH+](C)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747490	1	48	0.0	-51.60	370.65	9.58	-42.02
C[NH+](C)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747491	1	48	0.0	-78.93	371.92	9.65	-69.28
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747492	1	45	0.0	-69.13	360.18	8.26	-60.87
C[NH+](C)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747493	1	45	0.0	-72.19	359.85	8.27	-63.92
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1Cl	REAL300013747494	1	48	0.0	-78.74	393.85	9.79	-68.95
CCC(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300013747495	1	47	0.0	-63.14	374.57	7.74	-55.40
C[NH+](C)C(CNC(=O)N1CCCCC1CCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013747496	1	54	0.0	-82.34	403.08	10.88	-71.46
C[NH+](C)C(CNC(=O)NCCCCCCCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013747497	1	56	0.0	-77.04	441.56	10.20	-66.84
C[NH+](C)C(CNC(=O)NCCCCCCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013747498	1	53	0.0	-78.16	420.07	9.42	-68.74
CN(CCCC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300013747499	1	47	0.0	-72.05	373.19	9.46	-62.59
C[NH+](C)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747500	1	51	0.0	-80.74	386.06	10.37	-70.37
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C1	REAL300013747501	1	55	0.0	-83.95	418.28	9.50	-74.45
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300013747502	1	51	0.0	-52.01	404.89	8.81	-43.20
C[NH+](C)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747503	1	54	0.0	-79.51	410.17	11.01	-68.50
C[NH+](C)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013747504	1	49	0.0	-73.53	382.41	8.88	-64.65
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300013747505	1	51	0.0	-49.88	385.19	10.20	-39.68
C[NH+](C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747506	1	49	0.0	-53.97	380.85	7.16	-46.81
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)CC1	REAL300013747507	1	55	0.0	-78.64	414.12	9.52	-69.12
C[NH+](C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C1=CC=CC=C1Cl	REAL300013747508	1	46	0.0	-79.03	371.96	7.89	-71.14
C[NH+](C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1=CC=CC=C1Cl	REAL300013747509	1	57	0.0	-64.83	417.19	10.45	-54.38
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013747510	1	51	0.0	-61.74	392.39	9.32	-52.42
C[NH+](C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013747511	1	54	0.0	-76.45	414.59	9.54	-66.91
C[NH+](C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013747512	1	51	0.0	-77.50	387.00	10.78	-66.72
C[NH+](C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013747513	1	52	0.0	-78.86	403.54	10.18	-68.68
C[NH+](C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747514	1	51	0.0	-72.90	395.56	8.83	-64.07
C[NH+](C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747515	1	51	0.0	-72.13	395.44	8.85	-63.28
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C1=CC=CC=C1Cl	REAL300013747516	1	52	0.0	-61.55	398.41	8.06	-53.49
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)C1=CC=CC=C1Cl	REAL300013747517	1	49	0.0	-55.80	382.71	6.41	-49.39
C[NH+](C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CC=C1Cl	REAL300013747518	1	46	0.0	-66.52	373.28	8.41	-58.11
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013747519	1	45	0.0	-56.33	361.05	7.88	-48.45
C[NH+](C)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1=CC=CC=C1Cl	REAL300013747520	1	52	0.0	-60.97	399.05	10.42	-50.55
C[NH+](C)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747521	1	49	0.0	-59.97	377.23	9.35	-50.62
C[NH+](C)C(CNC(=O)N1CC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747522	1	42	0.0	-63.71	342.43	7.96	-55.75
COC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CC=C2Cl)[NH+](C)C)C1	REAL300013747523	1	52	0.0	-78.74	404.13	8.60	-70.14
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013747524	1	45	0.0	-72.85	356.71	8.64	-64.21
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CC=C1Cl	REAL300013747525	1	46	0.0	-79.08	371.03	8.93	-70.15
CC(CCC(=O)[O-])NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C	REAL300013747526	1	47	0.0	-64.35	375.33	8.08	-56.27
O=C([O-])C[NH+]1CCC(NC(=O)NCCCN2CCCCCC2=O)CC1	REAL300013747557	1	55	0.0	-42.53	411.73	6.49	-36.04
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=CS2)CC1	REAL300013747610	1	42	0.0	-41.70	344.87	6.14	-35.56
CC1=NC2=CC=CC=C2N1CCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013747685	1	54	0.0	-43.74	422.90	8.39	-35.35
NS(=O)(=O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013747759	1	44	0.0	-43.16	379.72	0.37	-42.79
O=C([O-])C[NH+]1CCC(NC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1	REAL300013747830	1	57	0.0	-40.83	441.07	4.60	-36.23
O=C([O-])C[NH+]1CCC(NC(=O)NCC(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300013747914	1	55	0.0	-41.21	423.86	10.26	-30.95
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CN3C=CC=CC3=N2)CC1	REAL300013747980	1	45	0.0	-40.84	360.12	6.77	-34.07
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=CC(Cl)=C2)CC1	REAL300013748048	1	45	0.0	-42.06	371.37	7.56	-34.50
CC1=CC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013748095	1	45	0.0	-35.52	350.27	7.07	-28.45
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=CC=C2F)CC1	REAL300013748139	1	45	0.0	-43.28	360.21	7.08	-36.20
CCCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013748230	1	51	0.0	-35.06	385.97	8.25	-26.81
O=C([O-])C[NH+]1CCC(NC(=O)NC2C3CC4CC(C3)CC2C4)CC1	REAL300013748298	1	53	0.0	-35.07	371.66	8.06	-27.01
CC(C)CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013748368	1	54	0.0	-35.42	406.46	8.93	-26.49
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(OC)C=C1	REAL300013748443	1	52	0.0	-40.52	393.57	6.75	-33.77
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=C(Cl)C=C2)C2CC2)CC1	REAL300013748518	1	49	0.0	-35.86	389.41	9.43	-26.43
CC(CCC1=CC=CO1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013748581	1	48	0.0	-37.43	376.66	6.94	-30.49
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(OC(F)F)C=C2)CC1	REAL300013748676	1	46	0.0	-42.23	372.40	5.85	-36.38
CC1=CC=CC(OCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013748747	1	49	0.0	-37.49	384.46	6.57	-30.92
C[NH+](C)C1(CNC(=O)N2CCC(C(=O)[O-])CC2)CCCCCC1	REAL300013748787	0	54	0.0	-67.42	359.30	8.82	-58.60
C[NH+](C)C1(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CCCCCC1	REAL300013748788	0	54	0.0	-75.09	381.86	8.40	-66.69
C[NH+](C)C1(CNC(=O)N2CCOC(C(=O)[O-])C2)CCCCCC1	REAL300013748789	0	52	0.0	-79.18	347.85	7.47	-71.71
C[NH+](C)C1(CNC(=O)NC2CCC(C(=O)[O-])CC2)CCCCCC1	REAL300013748790	0	57	0.0	-78.19	384.50	8.10	-70.09
C[NH+](C)C1(CNC(=O)NCCCCC(=O)[O-])CCCCCC1	REAL300013748791	0	53	0.0	-74.84	365.60	7.07	-67.77
C[NH+](C)C1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCCCCC1	REAL300013748792	0	54	0.0	-76.09	381.87	8.39	-67.70
C[NH+](C)C1(CNC(=O)NCCCCCC(=O)[O-])CCCCCC1	REAL300013748793	0	56	0.0	-73.21	387.10	7.85	-65.36
C[NH+](C)C1(CNC(=O)NCC(C)(C)C(=O)[O-])CCCCCC1	REAL300013748794	0	53	0.0	-74.83	357.46	6.96	-67.87
C[NH+](C)C1(CNC(=O)N2CCC(C)(C(=O)[O-])C2)CCCCCC1	REAL300013748795	0	54	0.0	-73.64	360.66	8.83	-64.81
CC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1	REAL300013748796	0	57	0.0	-80.29	376.50	9.60	-70.69
C[NH+](C)C1(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CCCCCC1	REAL300013748797	0	57	0.0	-74.23	368.91	9.32	-64.91
CC1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1C(=O)[O-]	REAL300013748798	0	57	0.0	-81.14	366.87	9.26	-71.88
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCCCCC1	REAL300013748799	0	58	0.0	-62.71	384.19	6.45	-56.26
C[NH+](C)C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCCCC1	REAL300013748800	0	56	0.0	-68.83	377.44	7.15	-61.68
CCC(CC)(CNC(=O)NCC1([NH+](C)C)CCCCCC1)C(=O)[O-]	REAL300013748801	0	59	0.0	-62.58	389.69	7.97	-54.61
CC(C)C(CNC(=O)NCC1([NH+](C)C)CCCCCC1)C(=O)[O-]	REAL300013748802	0	56	0.0	-63.30	379.90	7.45	-55.85
CC(NC(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013748803	0	63	0.0	-78.78	417.48	9.57	-69.21
C[NH+](C)C1(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCCCCC1	REAL300013748804	0	60	0.0	-60.00	407.64	9.82	-50.18
C[NH+](C)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCCCC1	REAL300013748805	0	54	0.0	-63.99	362.47	7.92	-56.07
C[NH+](C)C1(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CCCCCC1	REAL300013748806	0	60	0.0	-72.56	398.61	10.21	-62.35
C[NH+](C)C1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCCCCC1	REAL300013748807	0	56	0.0	-75.77	372.91	7.30	-68.47
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCCCCC1	REAL300013748808	0	57	0.0	-56.64	379.51	8.73	-47.91
CC1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CCC1C(=O)[O-]	REAL300013748809	0	57	0.0	-70.73	377.73	9.26	-61.47
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCC2)CCCCCC1	REAL300013748810	0	54	0.0	-59.70	364.71	7.58	-52.12
C[NH+](C)C1(CNC(=O)NCC(CC(=O)[O-])C2CC2)CCCCCC1	REAL300013748811	0	57	0.0	-70.67	390.16	8.33	-62.34
C[NH+](C)C1(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CCCCCC1	REAL300013748812	0	57	0.0	-74.23	368.91	9.32	-64.91
CC(C)C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)CC(=O)[O-]	REAL300013748813	0	62	0.0	-63.66	415.01	8.78	-54.88
C[NH+](C)C1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCCCCC1	REAL300013748814	0	54	0.0	-69.19	375.52	8.48	-60.71
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1	REAL300013748815	0	58	0.0	-71.30	395.96	7.40	-63.90
C[NH+](C)C1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCCCCC1	REAL300013748816	0	51	0.0	-68.04	346.49	7.21	-60.83
C[NH+](C)C1(CNC(=O)NC2CCN(CC(=O)[O-])CC2)CCCCCC1	REAL300013748817	0	59	0.0	-72.52	394.03	6.11	-66.41
C[NH+](C)C1(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CCCCCC1	REAL300013748818	0	54	0.0	-79.75	355.35	8.97	-70.78
C[NH+](C)C1(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CCCCCC1	REAL300013748819	0	54	0.0	-79.49	356.39	9.09	-70.40
C[NH+](C)C1(CNC(=O)NC2CC(C(=O)[O-])C2)CCCCCC1	REAL300013748820	0	51	0.0	-67.97	346.53	7.23	-60.74
C[NH+](C)C1(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCCCCC1	REAL300013748821	0	51	0.0	-71.95	346.72	7.22	-64.73
C[NH+](C)C1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCCCCC1	REAL300013748822	0	54	0.0	-76.09	381.87	8.39	-67.70
CCC(CNC(=O)NCC1([NH+](C)C)CCCCCC1)C(=O)[O-]	REAL300013748823	0	53	0.0	-57.95	363.15	6.93	-51.02
C[NH+](C)C1(CNC(=O)N2CCCCC2CCC(=O)[O-])CCCCCC1	REAL300013748824	0	60	0.0	-84.17	388.82	10.39	-73.78
C[NH+](C)C1(CNC(=O)NCCCCCCCC(=O)[O-])CCCCCC1	REAL300013748825	0	62	0.0	-75.60	430.10	9.42	-66.18
C[NH+](C)C1(CNC(=O)NCCCCCCC(=O)[O-])CCCCCC1	REAL300013748826	0	59	0.0	-76.78	408.60	8.63	-68.15
CN(CCCC(=O)[O-])C(=O)NCC1([NH+](C)C)CCCCCC1	REAL300013748827	0	53	0.0	-72.05	361.73	8.68	-63.37
C[NH+](C)C1(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CCCCCC1	REAL300013748828	0	57	0.0	-51.08	369.98	9.73	-41.35
COCC1(C(=O)[O-])CCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1	REAL300013748829	0	61	0.0	-86.16	403.01	8.95	-77.21
COCCN(CCC(=O)[O-])C(=O)NCC1([NH+](C)C)CCCCCC1	REAL300013748830	0	57	0.0	-52.20	393.47	8.01	-44.19
C[NH+](C)C1(CNC(=O)N2CCCC(CCC(=O)[O-])C2)CCCCCC1	REAL300013748831	0	60	0.0	-80.47	396.07	10.49	-69.98
C[NH+](C)C1(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CCCCCC1	REAL300013748832	0	58	0.0	-83.00	388.41	11.80	-71.20
C[NH+](C)C1(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCCCCC1	REAL300013748833	0	55	0.0	-64.92	367.53	7.69	-57.23
CC1CCC(C(=O)[O-])CN1C(=O)NCC1([NH+](C)C)CCCCCC1	REAL300013748834	0	57	0.0	-80.36	372.33	9.67	-70.69
C[NH+](C)C1(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CCCCCC1	REAL300013748835	0	61	0.0	-62.37	419.65	11.26	-51.11
C[NH+](C)C1(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CCCCCC1	REAL300013748836	0	55	0.0	-77.16	365.11	6.57	-70.59
C[NH+](C)C1(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CCCCCC1	REAL300013748837	0	58	0.0	-69.79	397.02	9.78	-60.01
C[NH+](C)C1(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CCCCCC1	REAL300013748838	0	61	0.0	-90.23	407.05	8.89	-81.34
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1	REAL300013748839	0	61	0.0	-76.98	399.09	9.18	-67.80
C[NH+](C)C1(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CCCCCC1	REAL300013748840	0	52	0.0	-78.18	359.44	7.02	-71.16
C[NH+](C)C1(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CCCCCC1	REAL300013748841	0	63	0.0	-64.24	405.50	9.07	-55.17
C[NH+](C)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CCCCCC1	REAL300013748842	0	57	0.0	-65.12	375.65	8.82	-56.30
C[NH+](C)C1(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CCCCCC1	REAL300013748843	0	60	0.0	-75.91	401.15	9.16	-66.75
C[NH+](C)C1(CNC(=O)N2CCC(CC(=O)[O-])CC2)CCCCCC1	REAL300013748844	0	57	0.0	-73.88	376.29	9.43	-64.45
C[NH+](C)C1(CNC(=O)N2CCC(OCC(=O)[O-])CC2)CCCCCC1	REAL300013748845	0	58	0.0	-73.44	393.00	8.80	-64.64
C[NH+](C)C1(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CCCCCC1	REAL300013748846	0	57	0.0	-69.47	381.29	8.39	-61.08
C[NH+](C)C1(CNC(=O)NC2CCCC(C(=O)[O-])C2)CCCCCC1	REAL300013748847	0	57	0.0	-67.47	379.59	8.47	-59.00
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCCOC2)CCCCCC1	REAL300013748848	0	58	0.0	-55.39	383.39	7.03	-48.36
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCOC2)CCCCCC1	REAL300013748849	0	55	0.0	-56.82	371.38	5.55	-51.27
C[NH+](C)C1(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCCCC1	REAL300013748850	0	52	0.0	-69.44	361.05	7.55	-61.89
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CC2)CCCCCC1	REAL300013748851	0	51	0.0	-57.11	349.75	7.23	-49.88
C[NH+](C)C1(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CCCCCC1	REAL300013748852	0	58	0.0	-61.07	384.41	9.92	-51.15
C[NH+](C)C1(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CCCCCC1	REAL300013748853	0	54	0.0	-63.95	376.96	9.00	-54.95
C[NH+](C)C1(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CCCCCC1	REAL300013748854	0	55	0.0	-57.20	366.55	7.96	-49.24
COC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1	REAL300013748855	0	58	0.0	-53.28	388.36	8.13	-45.15
C[NH+](C)C1(CNC(=O)N2CCC(C(=O)[O-])C2)CCCCCC1	REAL300013748856	0	51	0.0	-73.27	342.20	8.21	-65.06
C[NH+](C)C1(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCCCC1	REAL300013748857	0	52	0.0	-77.63	356.91	7.95	-69.68
CC(CCC(=O)[O-])NC(=O)NCC1([NH+](C)C)CCCCCC1	REAL300013748858	0	53	0.0	-67.24	363.86	7.31	-59.93
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CN=C1	REAL300013748867	1	44	0.0	-37.31	345.55	5.32	-31.99
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=C(Cl)C=C2)CC1	REAL300013748923	1	46	0.0	-37.48	379.38	6.38	-31.10
CC(C)(C)C1=CC=C(OCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013748998	1	58	0.0	-36.72	438.82	8.18	-28.54
O=C([O-])C[NH+]1CCC(NC(=O)NCCSCC2=CC=CC=C2)CC1	REAL300013749083	1	49	0.0	-38.51	398.94	8.36	-30.15
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(N2C=NC=N2)C=C1	REAL300013749208	1	51	0.0	-47.93	403.95	9.63	-38.30
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013749249	0	52	0.0	-72.14	377.00	6.97	-65.17
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013749249	1	52	0.0	-71.01	375.94	6.85	-64.16
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013749250	0	52	0.0	-78.06	406.58	6.55	-71.51
CC(C)C[N@H+]1CCOC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013749250	1	52	0.0	-77.96	406.29	6.60	-71.36
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013749251	0	50	0.0	-75.42	368.63	5.35	-70.07
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013749251	1	50	0.0	-66.08	375.33	5.44	-60.64
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013749252	0	55	0.0	-75.21	402.39	6.23	-68.98
CC(C)C[N@H+]1CCOC(CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013749252	1	55	0.0	-75.43	402.46	6.15	-69.28
CC(C)C[N@@H+]1CCOC(CNC(=O)NCCCCC(=O)[O-])C1	REAL300013749253	0	51	0.0	-73.39	383.29	5.20	-68.19
CC(C)C[N@H+]1CCOC(CNC(=O)NCCCCC(=O)[O-])C1	REAL300013749253	1	51	0.0	-76.75	390.03	5.29	-71.46
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013749254	0	52	0.0	-78.81	406.78	6.55	-72.26
CC(C)C[N@H+]1CCOC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013749254	1	52	0.0	-77.27	406.29	6.59	-70.68
CC(C)C[N@@H+]1CCOC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013749255	0	54	0.0	-76.07	412.01	6.02	-70.05
CC(C)C[N@H+]1CCOC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013749255	1	54	0.0	-75.77	411.52	6.07	-69.70
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013749256	0	51	0.0	-72.54	375.15	5.10	-67.44
CC(C)C[N@H+]1CCOC(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013749256	1	51	0.0	-76.83	382.43	5.17	-71.66
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013749257	0	52	0.0	-73.95	379.97	6.55	-67.40
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013749257	1	52	0.0	-74.47	386.56	6.59	-67.88
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300013749258	0	55	0.0	-63.35	397.82	7.51	-55.84
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300013749258	1	55	0.0	-63.12	393.60	7.72	-55.40
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013749259	0	55	0.0	-76.76	395.99	7.22	-69.54
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013749259	1	55	0.0	-73.15	389.22	7.07	-66.08
CC(C)C[N@@H+]1CCOC(CNC(=O)NCCCC(=O)[O-])C1	REAL300013749260	0	48	0.0	-72.01	368.82	4.45	-67.56
CC(C)C[N@H+]1CCOC(CNC(=O)NCCCC(=O)[O-])C1	REAL300013749260	1	48	0.0	-71.94	368.53	4.51	-67.43
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013749261	0	55	0.0	-61.26	386.01	7.13	-54.13
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013749261	1	55	0.0	-78.58	398.44	7.42	-71.16
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013749262	0	56	0.0	-64.42	401.88	4.59	-59.83
CC(C)C[N@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013749262	1	56	0.0	-64.73	409.35	4.51	-60.22
CC(C)C[N@@H+]1CCOC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013749263	0	54	0.0	-72.92	402.10	5.33	-67.59
CC(C)C[N@H+]1CCOC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013749263	1	54	0.0	-72.95	401.23	5.37	-67.58
CCC(CC)(CNC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300013749264	0	57	0.0	-66.82	413.66	6.36	-60.46
CCC(CC)(CNC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300013749264	1	57	0.0	-68.89	414.12	6.18	-62.71
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC(C)C(=O)[O-])C1	REAL300013749265	0	48	0.0	-75.22	365.19	4.40	-70.82
CC(C)C[N@H+]1CCOC(CNC(=O)NCC(C)C(=O)[O-])C1	REAL300013749265	1	48	0.0	-74.95	364.66	4.46	-70.49
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013749266	0	54	0.0	-65.74	398.34	5.75	-59.99
CC(C)C[N@H+]1CCOC(CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013749266	1	54	0.0	-65.41	396.66	5.76	-59.65
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013749267	0	61	0.0	-74.69	438.27	7.14	-67.55
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013749267	1	61	0.0	-73.70	435.60	7.01	-66.69
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013749268	0	58	0.0	-65.25	432.31	8.01	-57.24
CC(C)C[N@H+]1CCOC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013749268	1	58	0.0	-66.97	431.99	8.07	-58.90
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013749269	0	52	0.0	-72.98	390.38	5.64	-67.34
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013749269	1	52	0.0	-69.78	383.49	5.62	-64.16
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013749270	0	58	0.0	-76.31	415.81	8.03	-68.28
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013749270	1	58	0.0	-73.88	416.60	8.28	-65.60
CC(C)C[N@@H+]1CCOC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013749271	0	54	0.0	-77.46	400.76	5.11	-72.35
CC(C)C[N@H+]1CCOC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013749271	1	54	0.0	-74.94	400.42	5.14	-69.80
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013749272	0	55	0.0	-64.03	400.46	6.47	-57.56
CC(C)C[N@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013749272	1	55	0.0	-68.60	407.00	6.55	-62.05
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013749273	0	55	0.0	-71.56	388.81	7.65	-63.91
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013749273	1	55	0.0	-73.83	396.05	7.80	-66.03
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013749274	0	52	0.0	-65.13	389.30	5.80	-59.33
CC(C)C[N@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013749274	1	52	0.0	-66.75	388.97	5.86	-60.89
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013749275	0	55	0.0	-76.57	414.83	6.51	-70.06
CC(C)C[N@H+]1CCOC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013749275	1	55	0.0	-73.25	406.23	7.15	-66.10
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013749276	0	55	0.0	-76.76	395.99	7.22	-69.54
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013749276	1	55	0.0	-73.15	389.22	7.07	-66.08
CC(C)C[C@H](CNC(=O)NCC1C[N@H+](CC(C)C)CCO1)CC(=O)[O-]	REAL300013749277	0	60	0.0	-69.25	427.84	6.80	-62.45
CC(C)C[C@H](CNC(=O)NCC1C[N@@H+](CC(C)C)CCO1)CC(=O)[O-]	REAL300013749277	1	60	0.0	-72.31	434.90	6.93	-65.38
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013749278	0	52	0.0	-68.17	393.17	6.61	-61.56
CC(C)C[N@H+]1CCOC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013749278	1	52	0.0	-73.92	399.89	6.71	-67.21
COCC1(C(=O)[O-])CCN(C(=O)NCC2C[N@H+](CC(C)C)CCO2)C1	REAL300013749279	0	56	0.0	-79.47	412.71	5.69	-73.78
COCC1(C(=O)[O-])CCN(C(=O)NCC2C[N@@H+](CC(C)C)CCO2)C1	REAL300013749279	1	56	0.0	-78.05	418.05	6.54	-71.51
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013749280	0	49	0.0	-72.65	374.45	5.02	-67.63
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013749280	1	49	0.0	-72.23	373.58	5.08	-67.15
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013749281	0	57	0.0	-76.62	422.06	4.05	-72.57
CC(C)C[N@H+]1CCOC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013749281	1	57	0.0	-77.03	421.57	4.10	-72.93
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013749282	0	52	0.0	-62.83	383.36	6.94	-55.89
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013749282	1	52	0.0	-74.45	376.22	6.82	-67.63
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013749283	0	52	0.0	-74.64	376.28	6.91	-67.73
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013749283	1	52	0.0	-75.30	377.24	6.85	-68.45
CC(C)C[N@@H+]1CCOC(CNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013749284	0	49	0.0	-71.38	367.33	5.03	-66.35
CC(C)C[N@H+]1CCOC(CNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013749284	1	49	0.0	-72.74	373.96	5.07	-67.67
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013749285	0	49	0.0	-74.05	373.75	5.07	-68.98
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013749285	1	49	0.0	-74.62	373.74	5.12	-69.50
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013749286	0	52	0.0	-78.81	406.78	6.55	-72.26
CC(C)C[N@H+]1CCOC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013749286	1	52	0.0	-77.27	406.29	6.59	-70.68
CCC(CNC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300013749287	0	51	0.0	-64.75	380.99	5.09	-59.66
CCC(CNC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300013749287	1	51	0.0	-68.91	387.50	5.17	-63.74
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013749288	0	58	0.0	-74.49	410.18	8.29	-66.20
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013749288	1	58	0.0	-80.93	416.58	8.38	-72.55
CC(C)C[N@@H+]1CCOC(CNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013749289	0	60	0.0	-77.71	454.81	7.57	-70.14
CC(C)C[N@H+]1CCOC(CNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013749289	1	60	0.0	-77.69	454.52	7.62	-70.07
CC(C)C[N@@H+]1CCOC(CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013749290	0	57	0.0	-78.44	433.31	6.79	-71.65
CC(C)C[N@H+]1CCOC(CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013749290	1	57	0.0	-78.38	433.02	6.84	-71.54
CC(C)C[N@@H+]1CCOC(CNC(=O)N(C)CCCC(=O)[O-])C1	REAL300013749291	0	51	0.0	-77.77	386.64	6.86	-70.91
CC(C)C[N@H+]1CCOC(CNC(=O)N(C)CCCC(=O)[O-])C1	REAL300013749291	1	51	0.0	-75.90	386.15	6.91	-68.99
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013749292	0	55	0.0	-75.59	391.44	7.62	-67.97
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013749292	1	55	0.0	-79.83	398.51	7.72	-72.11
COCC1(C(=O)[O-])CCCN(C(=O)NCC2C[N@H+](CC(C)C)CCO2)C1	REAL300013749293	0	59	0.0	-78.97	423.15	6.81	-72.16
COCC1(C(=O)[O-])CCCN(C(=O)NCC2C[N@@H+](CC(C)C)CCO2)C1	REAL300013749293	1	59	0.0	-83.58	429.92	6.91	-76.67
COCCN(CCC(=O)[O-])C(=O)NCC1C[N@H+](CC(C)C)CCO1	REAL300013749294	0	55	0.0	-60.43	406.98	6.41	-54.02
COCCN(CCC(=O)[O-])C(=O)NCC1C[N@@H+](CC(C)C)CCO1	REAL300013749294	1	55	0.0	-62.82	417.77	6.27	-56.55
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013749295	0	58	0.0	-74.85	416.63	8.33	-66.52
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013749295	1	58	0.0	-78.91	423.37	8.42	-70.49
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013749296	0	56	0.0	-76.57	411.42	9.18	-67.39
CC(C)C[N@H+]1CCOC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013749296	1	56	0.0	-79.42	415.62	9.74	-69.68
CC(C)C[N@@H+]1CCOC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013749297	0	53	0.0	-72.24	395.40	5.62	-66.62
CC(C)C[N@H+]1CCOC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013749297	1	53	0.0	-67.79	388.97	5.56	-62.23
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CC(C)C[N@@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013749312	0	56	0.0	-62.16	404.33	4.78	-57.38
CC(C)C[N@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013749312	1	56	0.0	-66.54	410.82	4.88	-61.66
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013749313	0	53	0.0	-63.58	389.12	3.75	-59.83
CC(C)C[N@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013749313	1	53	0.0	-65.82	395.54	3.82	-62.00
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CC(C)C[N@@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013749315	0	49	0.0	-62.14	367.44	5.35	-56.79
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COCC[N@H+](C)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013752457	0	53	0.0	-67.19	397.93	5.19	-62.00
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COCC[N@@H+](C)CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013752462	1	45	0.0	-76.43	363.95	4.69	-71.74
COCC[N@H+](C)CCNC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013752463	0	55	0.0	-68.99	424.44	6.53	-62.46
COCC[N@@H+](C)CCNC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013752463	1	55	0.0	-62.13	419.62	6.38	-55.75
COCC[N@H+](C)CCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013752464	0	51	0.0	-78.18	373.94	6.42	-71.76
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COCC[N@H+](C)CCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013752465	0	53	0.0	-76.02	412.16	5.70	-70.32
COCC[N@@H+](C)CCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013752465	1	53	0.0	-76.35	412.18	5.71	-70.64
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C[NH+](C)C(CNC(=O)NCCCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013752529	0	44	0.0	-72.67	360.56	7.77	-64.90
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C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=C(Cl)C=C1	REAL300013752531	0	52	0.0	-64.19	404.96	6.85	-57.34
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CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300013752565	0	51	0.0	-65.47	393.97	9.99	-55.48
C[NH+](C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300013752566	0	49	0.0	-78.28	388.02	6.94	-71.34
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C[NH+](C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013752573	0	52	0.0	-78.72	412.74	9.46	-69.26
C[NH+](C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300013752574	0	51	0.0	-75.03	403.75	8.65	-66.38
C[NH+](C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300013752575	0	51	0.0	-74.68	399.85	9.09	-65.59
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CCC[N@H+](CC)CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013752718	0	49	0.0	-71.54	359.78	5.33	-66.21
CCC[N@@H+](CC)CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013752718	1	49	0.0	-71.41	364.27	5.60	-65.81
CCC[N@H+](CC)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013752719	0	55	0.0	-68.16	394.50	6.96	-61.20
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CCC[N@H+](CC)CCNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013752728	0	54	0.0	-81.79	394.22	7.24	-74.55
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CC(C)OCC[NH+]1CCC(NC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013753550	0	60	0.0	-75.23	455.87	7.89	-67.34
CC(C)OCC[NH+]1CCC(NC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013753551	0	54	0.0	-73.11	408.99	7.94	-65.17
CC(C)OCC[NH+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013753552	0	58	0.0	-76.76	420.77	8.77	-67.99
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1	REAL300013753553	0	62	0.0	-80.80	452.96	7.93	-72.87
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](CCOC(C)C)CC1	REAL300013753554	0	58	0.0	-60.59	440.69	7.29	-53.30
CC(C)OCC[NH+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013753555	0	61	0.0	-75.13	446.26	9.47	-65.66
CC(C)OCC[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013753556	0	59	0.0	-75.89	438.53	10.80	-65.09
CC(C)OCC[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013753557	0	56	0.0	-67.31	418.09	6.86	-60.45
CC(C)OCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013753558	0	58	0.0	-61.98	422.55	8.66	-53.32
CC(C)OCC[NH+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013753559	0	56	0.0	-73.54	415.49	5.57	-67.97
CC(C)OCC[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013753560	0	59	0.0	-71.74	447.34	8.65	-63.09
CC(C)OCC[NH+]1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013753561	0	62	0.0	-81.56	457.45	7.86	-73.70
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CC(C)OCC[NH+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013753563	0	53	0.0	-75.44	406.59	6.34	-69.10
CC(C)OCC[NH+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013753564	0	64	0.0	-69.90	452.60	8.35	-61.55
CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013753565	0	58	0.0	-67.58	426.02	7.71	-59.87
CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013753566	0	61	0.0	-75.28	451.53	8.06	-67.22
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013753567	0	58	0.0	-73.45	423.66	8.70	-64.75
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013753568	0	59	0.0	-74.17	440.22	8.11	-66.06
CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013753569	0	58	0.0	-70.86	431.24	7.33	-63.53
CC(C)OCC[NH+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013753570	0	58	0.0	-69.00	427.32	7.76	-61.24
CC(C)OCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013753571	0	59	0.0	-62.76	433.72	5.93	-56.83
CC(C)OCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013753572	0	56	0.0	-64.16	418.50	4.89	-59.27
CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013753573	0	53	0.0	-70.97	408.29	6.84	-64.13
CC(C)OCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013753574	0	52	0.0	-61.92	397.01	6.50	-55.42
CC(C)OCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013753575	0	59	0.0	-65.57	433.61	8.83	-56.74
CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013753576	0	55	0.0	-66.56	425.30	7.86	-58.70
CC(C)OCC[NH+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013753577	0	56	0.0	-76.88	413.73	7.27	-69.61
CC(C)OCC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013753578	0	49	0.0	-65.54	377.62	6.33	-59.21
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CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013753580	0	52	0.0	-72.09	392.50	7.12	-64.97
CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013753581	0	53	0.0	-75.42	407.25	6.85	-68.57
CC(C)OCC[NH+]1CCC(NC(=O)NC(C)CCC(=O)[O-])CC1	REAL300013753582	0	54	0.0	-67.14	411.12	6.55	-60.59
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O=C([O-])C1CCC(NC(=O)NCCCCCCC[NH+]2CCCC2)CC1	REAL300013753728	0	60	0.0	-77.14	449.71	9.62	-67.52
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O=C([O-])CCCCCNC(=O)NCCCCCCC[NH+]1CCCC1	REAL300013753731	0	59	0.0	-74.10	452.31	9.38	-64.72
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CC1CC(C(=O)[O-])CN(C(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753734	0	60	0.0	-77.55	444.64	10.88	-66.67
CC1(C(=O)[O-])CCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1	REAL300013753735	0	60	0.0	-74.13	437.23	10.61	-63.52
O=C([O-])CCCNC(=O)NCCCCCCC[NH+]1CCCC1	REAL300013753736	0	53	0.0	-70.53	409.31	7.82	-62.71
CC1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1C(=O)[O-]	REAL300013753737	0	60	0.0	-77.30	439.22	10.75	-66.55
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CC(C)(CCNC(=O)NCCCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300013753739	0	59	0.0	-71.14	442.60	8.71	-62.43
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CC1CN(C(=O)NCCCCCCC[NH+]2CCCC2)CCC1C(=O)[O-]	REAL300013753749	0	60	0.0	-71.07	436.39	11.03	-60.04
O=C([O-])C1(CNC(=O)NCCCCCCC[NH+]2CCCC2)CCC1	REAL300013753750	0	57	0.0	-66.51	429.79	9.17	-57.34
O=C([O-])CC(CNC(=O)NCCCCCCC[NH+]1CCCC1)C1CC1	REAL300013753751	0	60	0.0	-75.57	454.82	9.81	-65.76
CC1(C(=O)[O-])CCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1	REAL300013753752	0	60	0.0	-74.13	437.23	10.61	-63.52
CC(C)C[C@H](CNC(=O)NCCCCCCC[NH+]1CCCC1)CC(=O)[O-]	REAL300013753753	0	65	0.0	-73.91	475.82	10.20	-63.71
O=C([O-])C1=CC=CC=C1CNC(=O)NCCCCCCC[NH+]1CCCC1	REAL300013753754	0	57	0.0	-74.60	440.69	10.03	-64.57
COCC1(C(=O)[O-])CCN(C(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753755	0	61	0.0	-77.73	461.03	9.00	-68.73
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753756	0	54	0.0	-70.95	414.74	8.39	-62.56
O=C([O-])CN1CCC(NC(=O)NCCCCCCC[NH+]2CCCC2)CC1	REAL300013753757	0	62	0.0	-72.48	462.82	7.47	-65.01
O=C([O-])[C@@H]1CCCN(C(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753758	0	57	0.0	-63.15	423.25	10.28	-52.87
O=C([O-])[C@H]1CCCN(C(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753759	0	57	0.0	-64.38	424.49	10.34	-54.04
O=C([O-])C1CC(NC(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753760	0	54	0.0	-70.99	414.78	8.39	-62.60
O=C([O-])[C@H]1C[C@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753761	0	54	0.0	-72.45	413.87	8.38	-64.07
O=C([O-])C1=CC(CNC(=O)NCCCCCCC[NH+]2CCCC2)=CC=C1	REAL300013753762	0	57	0.0	-76.39	447.08	9.92	-66.47
CCC(CNC(=O)NCCCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300013753763	0	56	0.0	-66.82	423.39	8.71	-58.11
O=C([O-])CCC1CCCCN1C(=O)NCCCCCCC[NH+]1CCCC1	REAL300013753764	0	63	0.0	-82.49	457.70	11.70	-70.79
O=C([O-])CCCCCCCNC(=O)NCCCCCCC[NH+]1CCCC1	REAL300013753765	0	65	0.0	-75.82	495.30	10.95	-64.87
O=C([O-])CCCCCCNC(=O)NCCCCCCC[NH+]1CCCC1	REAL300013753766	0	62	0.0	-76.69	473.81	10.16	-66.53
CN(CCCC(=O)[O-])C(=O)NCCCCCCC[NH+]1CCCC1	REAL300013753767	0	56	0.0	-76.41	426.94	10.22	-66.19
CC1(C(=O)[O-])CCCN(C(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753768	0	60	0.0	-77.99	438.64	11.07	-66.92
COCC1(C(=O)[O-])CCCN(C(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753769	0	64	0.0	-82.23	470.82	10.20	-72.03
COCCN(CCC(=O)[O-])C(=O)NCCCCCCC[NH+]1CCCC1	REAL300013753770	0	60	0.0	-63.48	458.62	9.57	-53.91
O=C([O-])CCC1CCCN(C(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753771	0	63	0.0	-77.71	464.17	11.76	-65.95
O=C([O-])C1CN(C(=O)NCCCCCCC[NH+]2CCCC2)CC2=CC=CC=C21	REAL300013753772	0	61	0.0	-82.89	456.41	13.07	-69.82
O=C([O-])C(=O)N1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1	REAL300013753773	0	58	0.0	-67.64	436.32	9.07	-58.57
CC1CCC(C(=O)[O-])CN1C(=O)NCCCCCCC[NH+]1CCCC1	REAL300013753774	0	60	0.0	-63.47	439.21	10.87	-52.60
O=C([O-])C1(O)CCCN(C(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753775	0	58	0.0	-75.29	433.43	7.88	-67.41
O=C([O-])C1CC(NC(=O)NCCCCCCC[NH+]2CCCC2)C2=CC=CC=C21	REAL300013753776	0	61	0.0	-74.00	469.75	11.16	-62.84
O=C([O-])CN1CCCCC(NC(=O)NCCCCCCC[NH+]2CCCC2)C1=O	REAL300013753777	0	64	0.0	-89.26	475.39	10.15	-79.11
COCC1(C(=O)[O-])CCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1	REAL300013753778	0	64	0.0	-75.15	468.59	9.72	-65.43
O=C([O-])C12CC(NC(=O)NCCCCCCC[NH+]3CCCC3)(C1)C2	REAL300013753779	0	55	0.0	-76.67	424.52	8.62	-68.05
O=C([O-])CC1(CNC(=O)NCCCCCCC[NH+]2CCCC2)CCCCC1	REAL300013753780	0	66	0.0	-73.59	470.72	10.58	-63.01
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCCCCCCC[NH+]2CCCC2)CC1	REAL300013753781	0	60	0.0	-69.57	443.96	10.01	-59.56
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCCCCCCC[NH+]2CCCC2)CC1	REAL300013753782	0	63	0.0	-74.73	468.13	10.31	-64.42
O=C([O-])CC1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1	REAL300013753783	0	60	0.0	-68.20	441.51	10.99	-57.21
O=C([O-])COC1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1	REAL300013753784	0	61	0.0	-76.00	458.05	10.39	-65.61
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753785	0	60	0.0	-72.27	448.11	9.51	-62.76
O=C([O-])C1CCCC(NC(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753786	0	60	0.0	-71.79	449.17	9.61	-62.18
O=C([O-])C1(CNC(=O)NCCCCCCC[NH+]2CCCC2)CCCOC1	REAL300013753787	0	61	0.0	-66.70	451.64	8.18	-58.52
O=C([O-])C1(CNC(=O)NCCCCCCC[NH+]2CCCC2)CCOC1	REAL300013753788	0	58	0.0	-67.00	436.45	7.15	-59.85
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCCCCCCC[NH+]1CCCC1)C2	REAL300013753789	0	55	0.0	-71.95	426.25	9.11	-62.84
O=C([O-])C1(CNC(=O)NCCCCCCC[NH+]2CCCC2)CC1	REAL300013753790	0	54	0.0	-65.36	414.96	8.76	-56.60
O=C([O-])C1CN(C(=O)NCCCCCCC[NH+]2CCCC2)CC12CCC2	REAL300013753791	0	61	0.0	-67.20	452.79	11.13	-56.07
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753792	0	57	0.0	-68.37	443.80	10.16	-58.21
CC1(C(=O)[O-])CN(C(=O)NCCCCCCC[NH+]2CCCC2)CCO1	REAL300013753793	0	58	0.0	-77.90	431.67	9.55	-68.35
O=C([O-])C1CN(C(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753794	0	51	0.0	-67.17	395.34	8.68	-58.49
COC1CC(C(=O)[O-])CN(C(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753795	0	61	0.0	-65.83	454.86	9.39	-56.44
O=C([O-])C1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013753796	0	54	0.0	-73.48	410.44	9.39	-64.09
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCCCCCCC[NH+]1CCCC1)C2	REAL300013753797	0	55	0.0	-76.36	425.21	9.13	-67.23
CC(CCC(=O)[O-])NC(=O)NCCCCCCC[NH+]1CCCC1	REAL300013753798	0	56	0.0	-69.38	429.07	8.84	-60.54
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=C(F)C=CC=C1Cl	REAL300013753858	1	45	0.0	-35.85	367.26	7.60	-28.25
COC1=CC=CC=C1CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(C)C	REAL300013753934	1	58	0.0	-42.15	432.46	8.13	-34.02
C[NH+](C)C1(CNC(=O)N2CCC(C(=O)[O-])CC2)CCSC1	REAL300013753982	0	46	0.0	-77.64	334.46	7.29	-70.35
C[NH+](C)C1(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CCSC1	REAL300013753983	0	46	0.0	-76.50	359.78	6.84	-69.66
C[NH+](C)C1(CNC(=O)N2CCOC(C(=O)[O-])C2)CCSC1	REAL300013753984	0	44	0.0	-79.22	325.97	5.65	-73.57
C[NH+](C)C1(CNC(=O)NC2CCC(C(=O)[O-])CC2)CCSC1	REAL300013753985	0	49	0.0	-65.87	355.46	7.01	-58.86
C[NH+](C)C1(CNC(=O)NCCCCC(=O)[O-])CCSC1	REAL300013753986	0	45	0.0	-74.79	342.32	5.62	-69.17
C[NH+](C)C1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCSC1	REAL300013753987	0	46	0.0	-80.74	361.94	7.12	-73.62
C[NH+](C)C1(CNC(=O)NCCCCCC(=O)[O-])CCSC1	REAL300013753988	0	48	0.0	-73.37	363.82	6.40	-66.97
C[NH+](C)C1(CNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CCSC1	REAL300013753989	0	56	0.0	-83.31	405.82	10.51	-72.80
C[NH+](C)C1(CNC(=O)NCC(C)(C)C(=O)[O-])CCSC1	REAL300013753990	0	45	0.0	-74.21	334.18	5.51	-68.70
C[NH+](C)C1(CNC(=O)N2CCC(C)(C(=O)[O-])C2)CCSC1	REAL300013753991	0	46	0.0	-75.22	340.41	7.07	-68.15
CC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+](C)C)CCSC2)C1	REAL300013753992	0	49	0.0	-57.20	357.50	7.80	-49.40
C[NH+](C)C1(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CCSC1	REAL300013753993	0	49	0.0	-74.95	349.53	7.69	-67.26
CC1CCN(C(=O)NCC2([NH+](C)C)CCSC2)CC1C(=O)[O-]	REAL300013753994	0	49	0.0	-79.09	349.16	7.65	-71.44
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCSC1	REAL300013753995	0	50	0.0	-60.02	363.09	4.71	-55.31
C[NH+](C)C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCSC1	REAL300013753996	0	48	0.0	-69.11	353.53	5.70	-63.41
CCC(CC)(CNC(=O)NCC1([NH+](C)C)CCSC1)C(=O)[O-]	REAL300013753997	0	51	0.0	-54.00	361.71	6.68	-47.32
CC(C)C(CNC(=O)NCC1([NH+](C)C)CCSC1)C(=O)[O-]	REAL300013753998	0	48	0.0	-61.59	356.62	5.98	-55.61
CC(NC(=O)NCC1([NH+](C)C)CCSC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013753999	0	55	0.0	-79.02	396.84	7.93	-71.09
C[NH+](C)C1(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCSC1	REAL300013754000	0	52	0.0	-55.90	385.79	8.35	-47.55
C[NH+](C)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCSC1	REAL300013754001	0	46	0.0	-69.18	343.41	6.00	-63.18
C[NH+](C)C1(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CCSC1	REAL300013754002	0	52	0.0	-78.31	373.77	8.67	-69.64
C[NH+](C)C1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CCSC1	REAL300013754003	0	48	0.0	-75.32	350.80	5.43	-69.89
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCSC1	REAL300013754004	0	49	0.0	-61.83	360.47	6.78	-55.05
CC1CN(C(=O)NCC2([NH+](C)C)CCSC2)CCC1C(=O)[O-]	REAL300013754005	0	49	0.0	-78.28	352.78	7.78	-70.50
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCC2)CCSC1	REAL300013754006	0	46	0.0	-59.20	343.39	5.93	-53.27
C[NH+](C)C1(CNC(=O)NCC(CC(=O)[O-])C2CC2)CCSC1	REAL300013754007	0	49	0.0	-70.14	366.90	6.89	-63.25
C[NH+](C)C1(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CCSC1	REAL300013754008	0	49	0.0	-74.95	349.53	7.69	-67.26
CC(C)C[C@H](CNC(=O)NCC1([NH+](C)C)CCSC1)CC(=O)[O-]	REAL300013754009	0	54	0.0	-64.83	387.03	7.19	-57.64
C[NH+](C)C1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCSC1	REAL300013754010	0	46	0.0	-67.86	353.39	6.94	-60.92
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+](C)C)CCSC2)C1	REAL300013754011	0	50	0.0	-81.96	371.70	6.65	-75.31
C[NH+](C)C1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCSC1	REAL300013754012	0	43	0.0	-69.98	327.49	5.29	-64.69
C[NH+](C)C1(CNC(=O)NC2CCN(CC(=O)[O-])CC2)CCSC1	REAL300013754013	0	51	0.0	-72.45	374.52	4.45	-68.00
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3([NH+](C)C)CCSC3)C2)C=N1	REAL300013754014	0	56	0.0	-62.41	413.50	8.81	-53.60
C[NH+](C)C1(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CCSC1	REAL300013754015	0	46	0.0	-56.33	336.38	7.25	-49.08
C[NH+](C)C1(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CCSC1	REAL300013754016	0	46	0.0	-78.30	338.53	7.41	-70.89
C[NH+](C)C1(CNC(=O)NC2CC(C(=O)[O-])C2)CCSC1	REAL300013754017	0	43	0.0	-69.38	327.53	5.28	-64.10
C[NH+](C)C1(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCSC1	REAL300013754018	0	43	0.0	-76.85	329.18	5.64	-71.21
C[NH+](C)C1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCSC1	REAL300013754019	0	46	0.0	-80.74	361.94	7.12	-73.62
CCC(CNC(=O)NCC1([NH+](C)C)CCSC1)C(=O)[O-]	REAL300013754020	0	45	0.0	-54.93	334.81	5.61	-49.32
C[NH+](C)C1(CNC(=O)N2CCCCC2CCC(=O)[O-])CCSC1	REAL300013754021	0	52	0.0	-84.12	367.79	8.55	-75.57
C[NH+](C)C1(CNC(=O)NCCCCCCCC(=O)[O-])CCSC1	REAL300013754022	0	54	0.0	-76.03	406.82	7.96	-68.07
C[NH+](C)C1(CNC(=O)NCCCCCCC(=O)[O-])CCSC1	REAL300013754023	0	51	0.0	-77.02	385.32	7.18	-69.84
CN(CCCC(=O)[O-])C(=O)NCC1([NH+](C)C)CCSC1	REAL300013754024	0	45	0.0	-71.60	338.45	7.24	-64.36
C[NH+](C)C1(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CCSC1	REAL300013754025	0	49	0.0	-79.26	353.48	8.17	-71.09
COCC1(C(=O)[O-])CCCN(C(=O)NCC2([NH+](C)C)CCSC2)C1	REAL300013754026	0	53	0.0	-86.92	381.04	7.05	-79.87
COCCN(CCC(=O)[O-])C(=O)NCC1([NH+](C)C)CCSC1	REAL300013754027	0	49	0.0	-51.64	370.14	6.59	-45.05
C[NH+](C)C1(CNC(=O)N2CCCC(CCC(=O)[O-])C2)CCSC1	REAL300013754028	0	52	0.0	-82.23	374.22	8.62	-73.61
C[NH+](C)C1(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CCSC1	REAL300013754029	0	50	0.0	-69.53	371.89	9.93	-59.60
C[NH+](C)C1(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCSC1	REAL300013754030	0	47	0.0	-68.66	349.52	6.17	-62.49
CC1CCC(C(=O)[O-])CN1C(=O)NCC1([NH+](C)C)CCSC1	REAL300013754031	0	49	0.0	-55.20	349.67	7.74	-47.46
C[NH+](C)C1(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CCSC1	REAL300013754032	0	53	0.0	-64.81	396.89	9.77	-55.04
C[NH+](C)C1(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CCSC1	REAL300013754033	0	47	0.0	-58.82	343.78	4.71	-54.11
C[NH+](C)C1(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CCSC1	REAL300013754034	0	50	0.0	-73.79	375.68	7.79	-66.00
C[NH+](C)C1(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CCSC1	REAL300013754035	0	53	0.0	-79.93	386.73	7.28	-72.65
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+](C)C)CCSC2)CC1	REAL300013754036	0	53	0.0	-78.83	381.72	6.85	-71.98
C[NH+](C)C1(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CCSC1	REAL300013754037	0	44	0.0	-79.31	337.61	5.75	-73.56
C[NH+](C)C1(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CCSC1	REAL300013754038	0	55	0.0	-67.91	383.49	7.51	-60.40
C[NH+](C)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CCSC1	REAL300013754039	0	49	0.0	-65.34	355.67	6.91	-58.43
C[NH+](C)C1(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CCSC1	REAL300013754040	0	52	0.0	-75.89	380.80	7.23	-68.66
C[NH+](C)C1(CNC(=O)N2CCC(CC(=O)[O-])CC2)CCSC1	REAL300013754041	0	49	0.0	-69.49	351.45	7.89	-61.60
C[NH+](C)C1(CNC(=O)N2CCC(OCC(=O)[O-])CC2)CCSC1	REAL300013754042	0	50	0.0	-80.48	368.05	7.32	-73.16
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O=C([O-])C1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCO1	REAL300013755017	0	50	0.0	-76.27	367.39	7.45	-68.82
O=C([O-])C1CCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	REAL300013755018	0	55	0.0	-75.83	401.08	8.31	-67.52
O=C([O-])CCCCNC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300013755019	0	51	0.0	-73.61	382.18	7.31	-66.30
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)=CC=C1	REAL300013755020	0	52	0.0	-76.26	392.20	8.36	-67.90
O=C([O-])CCCCCNC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300013755021	0	54	0.0	-72.74	403.68	8.09	-64.65
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	REAL300013755022	0	62	0.0	-71.51	446.88	12.09	-59.42
CC(C)(CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300013755023	0	51	0.0	-74.90	368.38	6.93	-67.97
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755024	0	52	0.0	-76.04	378.68	8.64	-67.40
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755025	0	55	0.0	-60.48	396.11	9.59	-50.89
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	REAL300013755026	0	55	0.0	-72.70	387.97	9.31	-63.39
CC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1C(=O)[O-]	REAL300013755027	0	55	0.0	-59.70	383.16	9.26	-50.44
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCOCC1	REAL300013755028	0	56	0.0	-63.06	395.52	6.25	-56.81
CC(C)(CCNC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300013755029	0	54	0.0	-69.92	393.97	7.42	-62.50
CCC(CC)(CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300013755030	0	57	0.0	-61.21	401.57	8.38	-52.83
CC(C)C(CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300013755031	0	54	0.0	-66.30	390.23	7.42	-58.88
CC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013755032	0	61	0.0	-74.93	433.48	9.05	-65.88
CC(CNC(=O)NC1CC[NH+](C2CCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013755033	0	58	0.0	-65.66	423.30	9.59	-56.07
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755034	0	52	0.0	-70.12	375.32	7.42	-62.70
O=C([O-])CCC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	REAL300013755035	0	58	0.0	-73.14	415.14	10.47	-62.67
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[NH+](C3CCCC3)CC1)C2	REAL300013755036	0	54	0.0	-71.54	390.97	7.20	-64.34
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCC1	REAL300013755037	0	55	0.0	-64.26	399.14	8.58	-55.68
CC1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCC1C(=O)[O-]	REAL300013755038	0	55	0.0	-69.70	387.69	9.74	-59.96
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCC1	REAL300013755039	0	52	0.0	-63.25	375.82	7.47	-55.78
O=C([O-])CC(CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC1	REAL300013755040	0	55	0.0	-72.57	406.71	8.59	-63.98
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	REAL300013755041	0	55	0.0	-72.70	387.97	9.31	-63.39
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)CC(=O)[O-]	REAL300013755042	0	60	0.0	-69.93	420.86	8.69	-61.24
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300013755043	0	52	0.0	-70.17	385.82	8.47	-61.70
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755044	0	56	0.0	-75.60	412.40	7.68	-67.92
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755045	0	49	0.0	-70.66	359.91	6.83	-63.83
O=C([O-])CN1CCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	REAL300013755046	0	57	0.0	-72.58	407.93	5.89	-66.69
O=C([O-])[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755047	0	52	0.0	-60.04	368.46	8.71	-51.33
O=C([O-])[C@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755048	0	52	0.0	-60.15	373.57	9.01	-51.14
O=C([O-])C1CC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755049	0	49	0.0	-70.69	359.91	6.82	-63.87
O=C([O-])[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755050	0	49	0.0	-71.35	363.99	7.16	-64.19
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)=CC=C1	REAL300013755051	0	52	0.0	-76.26	392.20	8.36	-67.90
CCC(CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300013755052	0	51	0.0	-64.95	373.44	6.93	-58.02
O=C([O-])CCC1CCCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300013755053	0	58	0.0	-78.29	402.31	10.10	-68.19
O=C([O-])CCCCCCCNC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300013755054	0	60	0.0	-74.65	446.68	9.65	-65.00
O=C([O-])CCCCCCNC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300013755055	0	57	0.0	-75.29	425.18	8.87	-66.42
CN(CCCC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300013755056	0	51	0.0	-73.49	378.31	8.92	-64.57
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755057	0	55	0.0	-77.27	389.98	9.76	-67.51
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755058	0	59	0.0	-80.37	420.56	9.65	-70.72
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300013755059	0	55	0.0	-59.38	403.77	8.01	-51.37
O=C([O-])CCC1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755060	0	58	0.0	-77.17	409.33	10.18	-66.99
O=C([O-])C1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC2=CC=CC=C21	REAL300013755061	0	56	0.0	-75.93	408.41	11.50	-64.43
O=C([O-])C(=O)N1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	REAL300013755062	0	53	0.0	-66.36	387.24	7.67	-58.69
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300013755063	0	55	0.0	-61.07	385.61	9.34	-51.73
O=C([O-])[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H]1C1=CC=CC=C1	REAL300013755064	0	59	0.0	-65.72	437.50	11.62	-54.10
O=C([O-])C1(O)CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755065	0	53	0.0	-74.08	384.63	6.54	-67.54
O=C([O-])C1CC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C2=CC=CC=C21	REAL300013755066	0	56	0.0	-73.99	414.88	9.59	-64.40
O=C([O-])CN1CCCCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1=O	REAL300013755067	0	59	0.0	-79.82	426.74	8.83	-70.99
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	REAL300013755068	0	59	0.0	-75.95	419.98	8.43	-67.52
O=C([O-])C12CC(NC(=O)NC3CC[NH+](C4CCCC4)CC3)(C1)C2	REAL300013755069	0	50	0.0	-75.45	375.90	7.32	-68.13
O=C([O-])CC1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCCC1	REAL300013755070	0	61	0.0	-70.88	415.68	9.06	-61.82
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	REAL300013755071	0	55	0.0	-67.24	393.61	8.71	-58.53
O=C([O-])[C@H]1CC[C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	REAL300013755072	0	58	0.0	-74.96	413.26	8.75	-66.21
O=C([O-])CC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	REAL300013755073	0	55	0.0	-67.06	392.83	9.70	-57.36
O=C([O-])COC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	REAL300013755074	0	56	0.0	-75.48	409.36	9.06	-66.42
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755075	0	55	0.0	-70.48	398.84	8.31	-62.17
O=C([O-])C1CCCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755076	0	55	0.0	-68.80	390.40	8.47	-60.33
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCOC1	REAL300013755077	0	56	0.0	-67.15	399.68	6.90	-60.25
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCOC1	REAL300013755078	0	53	0.0	-62.64	387.83	5.86	-56.78
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1CC[NH+](C3CCCC3)CC1)C2	REAL300013755079	0	50	0.0	-69.78	375.89	7.82	-61.96
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	REAL300013755080	0	49	0.0	-61.86	360.08	7.21	-54.65
O=C([O-])C1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC12CCC2	REAL300013755081	0	56	0.0	-65.38	402.44	9.87	-55.51
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755082	0	52	0.0	-67.36	394.62	8.84	-58.52
CC1(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCO1	REAL300013755083	0	53	0.0	-77.62	383.05	8.26	-69.36
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755084	0	56	0.0	-60.84	407.91	8.01	-52.83
O=C([O-])C1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013755085	0	49	0.0	-72.47	361.81	8.09	-64.38
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1CC[NH+](C3CCCC3)CC1)C2	REAL300013755086	0	50	0.0	-75.39	374.87	7.84	-67.55
CC(CCC(=O)[O-])NC(=O)NC1CC[NH+](C2CCCC2)CC1	REAL300013755087	0	51	0.0	-67.56	374.20	7.26	-60.30
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NN=C2CCCCCN21	REAL300013755121	1	57	0.0	-38.96	416.98	7.56	-31.40
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013755161	0	55	0.0	-74.30	401.31	10.77	-63.53
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013755161	1	55	0.0	-74.76	399.88	10.70	-64.06
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013755162	0	55	0.0	-79.69	428.24	10.88	-68.81
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013755162	1	55	0.0	-79.69	433.13	10.46	-69.23
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013755163	0	53	0.0	-67.34	392.81	9.16	-58.18
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013755163	1	53	0.0	-79.09	393.05	9.17	-69.92
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013755164	0	58	0.0	-70.42	420.74	10.43	-59.99
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013755164	1	58	0.0	-71.01	425.21	10.93	-60.08
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCC(=O)[O-]	REAL300013755165	0	54	0.0	-80.12	411.98	9.56	-70.56
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCC(=O)[O-]	REAL300013755165	1	54	0.0	-79.40	407.19	9.27	-70.13
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013755166	0	55	0.0	-80.60	428.25	10.87	-69.73
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013755166	1	55	0.0	-79.57	433.14	10.45	-69.12
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCC(=O)[O-]	REAL300013755167	0	48	0.0	-76.83	368.99	7.98	-68.85
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCC(=O)[O-]	REAL300013755167	1	48	0.0	-75.88	364.19	7.69	-68.19
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCCC(=O)[O-]	REAL300013755168	0	57	0.0	-78.18	433.48	10.34	-67.84
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCCC(=O)[O-]	REAL300013755168	1	57	0.0	-76.98	438.37	9.92	-67.06
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013755169	0	54	0.0	-80.77	404.43	9.44	-71.33
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013755169	1	54	0.0	-79.72	399.05	9.15	-70.57
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013755170	0	55	0.0	-78.86	404.09	10.37	-68.49
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013755170	1	55	0.0	-78.06	408.93	10.94	-67.12
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300013755171	0	58	0.0	-80.97	431.42	11.43	-69.54
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300013755171	1	58	0.0	-64.80	425.42	11.64	-53.16
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013755172	0	58	0.0	-78.16	422.58	11.11	-67.05
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013755172	1	58	0.0	-79.25	412.92	11.25	-68.00
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCC(=O)[O-]	REAL300013755173	0	51	0.0	-73.44	390.49	8.78	-64.66
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCC(=O)[O-]	REAL300013755173	1	51	0.0	-72.39	385.69	8.49	-63.90
CC1CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)CC2C)CC1C(=O)[O-]	REAL300013755174	0	58	0.0	-84.61	410.58	11.19	-73.42
CC1CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)CC2C)CC1C(=O)[O-]	REAL300013755174	1	58	0.0	-59.05	419.04	11.47	-47.58
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013755175	0	59	0.0	-67.70	426.18	8.42	-59.28
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013755175	1	59	0.0	-66.44	425.78	8.65	-57.79
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013755176	0	57	0.0	-74.23	423.77	9.66	-64.57
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013755176	1	57	0.0	-73.31	418.39	9.36	-63.95
CCC(CC)(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013755177	0	60	0.0	-68.31	439.04	9.98	-58.33
CCC(CC)(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013755177	1	60	0.0	-64.82	436.08	10.46	-54.36
CC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013755178	0	51	0.0	-77.89	382.74	8.45	-69.44
CC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013755178	1	51	0.0	-78.26	387.54	8.74	-69.52
CC(C)C(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013755179	0	57	0.0	-61.94	416.23	9.74	-52.20
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CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013755183	0	58	0.0	-65.45	421.10	10.75	-54.70
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013755183	1	58	0.0	-67.95	424.59	10.31	-57.64
CC1CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)CC2C)CCC1C(=O)[O-]	REAL300013755184	0	58	0.0	-75.11	425.94	11.29	-63.82
CC1CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)CC2C)CCC1C(=O)[O-]	REAL300013755184	1	58	0.0	-73.56	419.91	11.71	-61.85
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013755185	0	55	0.0	-66.02	406.57	9.61	-56.41
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013755185	1	55	0.0	-63.51	406.16	9.84	-53.67
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013755186	0	58	0.0	-80.24	436.56	10.84	-69.40
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013755186	1	58	0.0	-70.87	439.40	10.39	-60.48
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013755187	0	58	0.0	-78.16	422.58	11.11	-67.05
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013755187	1	58	0.0	-79.25	412.92	11.25	-68.00
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013755188	0	63	0.0	-74.22	461.85	10.75	-63.47
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013755188	1	63	0.0	-76.88	457.00	11.16	-65.72
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013755189	0	55	0.0	-69.37	421.88	10.96	-58.41
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COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300013755190	0	59	0.0	-86.31	439.82	10.45	-75.86
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300013755190	1	59	0.0	-81.27	435.33	10.22	-71.05
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CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013755191	1	52	0.0	-74.02	400.45	8.92	-65.10
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013755192	0	60	0.0	-77.14	443.98	8.40	-68.74
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013755192	1	60	0.0	-75.82	448.84	7.99	-67.83
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013755193	0	55	0.0	-64.37	400.03	10.72	-53.65
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013755193	1	55	0.0	-59.69	404.46	11.25	-48.44
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013755194	0	55	0.0	-80.50	409.74	10.83	-69.67
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013755194	1	55	0.0	-59.44	405.81	11.29	-48.15
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013755195	0	52	0.0	-73.30	390.79	9.04	-64.26
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013755195	1	52	0.0	-75.06	391.03	9.09	-65.97
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013755196	0	52	0.0	-76.08	395.43	9.39	-66.69
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013755196	1	52	0.0	-74.34	391.46	8.87	-65.47
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013755197	0	55	0.0	-80.60	428.25	10.87	-69.73
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013755197	1	55	0.0	-79.57	433.14	10.45	-69.12
CCC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013755198	0	54	0.0	-61.68	399.68	9.26	-52.42
CCC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013755198	1	54	0.0	-65.40	409.48	9.44	-55.96
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013755199	0	61	0.0	-80.81	443.63	12.23	-68.58
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013755199	1	61	0.0	-80.52	443.78	12.21	-68.31
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013755200	0	63	0.0	-80.66	476.47	11.90	-68.76
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCCCCC(=O)[O-]	REAL300013755200	1	63	0.0	-78.81	481.36	11.48	-67.33
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCCCC(=O)[O-]	REAL300013755201	0	60	0.0	-81.90	454.97	11.12	-70.78
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCCCC(=O)[O-]	REAL300013755201	1	60	0.0	-79.49	459.87	10.70	-68.79
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N(C)CCCC(=O)[O-]	REAL300013755202	0	54	0.0	-81.92	407.83	11.15	-70.77
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N(C)CCCC(=O)[O-]	REAL300013755202	1	54	0.0	-77.97	412.73	10.74	-67.23
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013755203	0	58	0.0	-79.67	416.10	11.46	-68.21
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013755203	1	58	0.0	-81.26	424.73	11.57	-69.69
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300013755204	0	58	0.0	-55.39	435.01	10.22	-45.17
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300013755204	1	58	0.0	-55.44	439.83	10.51	-44.93
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013755205	0	61	0.0	-79.90	450.20	12.26	-67.64
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013755205	1	61	0.0	-84.06	445.43	12.69	-71.37
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013755206	0	56	0.0	-70.80	421.84	9.50	-61.30
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013755206	1	56	0.0	-70.56	412.61	9.73	-60.83
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013755207	0	58	0.0	-58.54	419.52	11.82	-46.72
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013755207	1	58	0.0	-64.89	425.03	11.43	-53.46
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013755208	0	56	0.0	-77.94	419.28	8.37	-69.57
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013755208	1	56	0.0	-77.99	419.51	8.39	-69.60
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013755209	0	53	0.0	-82.23	400.84	9.27	-72.96
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013755209	1	53	0.0	-83.11	405.73	9.57	-73.54
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013755210	0	58	0.0	-67.94	426.45	10.98	-56.96
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013755210	1	58	0.0	-71.83	431.37	10.56	-61.27
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013755211	0	61	0.0	-78.41	454.14	10.83	-67.58
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013755211	1	61	0.0	-79.41	449.38	11.26	-68.15
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013755212	0	58	0.0	-69.87	418.30	11.39	-58.48
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013755212	1	58	0.0	-70.45	418.41	11.41	-59.04
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013755213	0	59	0.0	-76.85	434.90	10.80	-66.05
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013755213	1	59	0.0	-78.22	434.95	10.79	-67.43
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013755214	0	58	0.0	-75.20	435.71	10.13	-65.07
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013755214	1	58	0.0	-74.09	426.53	10.04	-64.05
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013755215	0	58	0.0	-69.72	421.09	10.68	-59.04
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013755215	1	58	0.0	-73.98	429.64	10.53	-63.45
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013755216	0	59	0.0	-64.21	431.40	9.03	-55.18
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013755216	1	59	0.0	-72.18	440.59	9.00	-63.18
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013755217	0	56	0.0	-66.57	417.99	8.30	-58.27
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013755217	1	56	0.0	-68.29	422.88	7.88	-60.41
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013755218	0	53	0.0	-72.69	407.14	10.06	-62.63
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013755218	1	53	0.0	-73.14	402.61	9.76	-63.38
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013755219	0	52	0.0	-68.52	394.61	9.02	-59.50
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013755219	1	52	0.0	-65.24	391.78	9.20	-56.04
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013755220	0	59	0.0	-64.70	427.85	11.73	-52.97
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013755220	1	59	0.0	-65.26	427.89	11.75	-53.51
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013755221	0	56	0.0	-84.19	407.98	10.17	-74.02
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013755221	1	56	0.0	-85.04	412.95	10.49	-74.55
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CC(C(=O)[O-])C1	REAL300013755222	0	49	0.0	-67.94	371.28	9.25	-58.69
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CC(C(=O)[O-])C1	REAL300013755222	1	49	0.0	-68.96	372.35	9.03	-59.93
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300013755223	0	59	0.0	-65.77	442.82	9.81	-55.96
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300013755223	1	59	0.0	-59.63	437.91	10.24	-49.39
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C(=O)[O-])C1	REAL300013755224	0	52	0.0	-77.20	386.73	10.02	-67.18
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C(=O)[O-])C1	REAL300013755224	1	52	0.0	-78.64	391.30	10.34	-68.30
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013755225	0	53	0.0	-79.76	411.17	9.66	-70.10
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013755225	1	53	0.0	-79.77	411.26	9.65	-70.12
CC(CCC(=O)[O-])NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1C	REAL300013755226	0	54	0.0	-71.43	415.12	9.36	-62.07
CC(CCC(=O)[O-])NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1C	REAL300013755226	1	54	0.0	-69.93	410.24	9.77	-60.16
CCCC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCC1	REAL300013755238	1	51	0.0	-35.06	376.98	7.25	-27.81
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CC(O)CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013755759	1	55	0.0	-43.45	421.35	5.76	-37.69
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(OCC2CC2)C(F)=C1	REAL300013755833	1	56	0.0	-38.60	439.89	9.00	-29.60
CC(CC1=CC=CC=C1Br)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013755899	1	48	0.0	-42.73	391.48	8.43	-34.30
CC(CC1CCOC1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013755946	1	49	0.0	-37.48	367.90	5.02	-32.46
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NN=C(C3=CC=CC=C3)S2)CC1	REAL300013756055	1	47	0.0	-40.21	392.91	6.10	-34.11
CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013756132	1	58	0.0	-39.38	454.36	9.30	-30.08
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COC(=O)CCCCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013756272	1	56	0.0	-39.91	435.79	7.93	-31.98
COC1=CC=CC2=C1CCC2NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013756346	1	50	0.0	-37.92	385.89	6.84	-31.08
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300013756390	0	60	0.0	-75.06	447.74	11.72	-63.34
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300013756390	1	60	0.0	-71.25	448.83	11.74	-59.51
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013756391	0	60	0.0	-76.98	472.38	11.34	-65.64
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013756391	1	60	0.0	-76.53	472.83	11.35	-65.18
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300013756392	0	58	0.0	-65.68	440.93	10.17	-55.51
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300013756392	1	58	0.0	-65.47	441.25	10.17	-55.30
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300013756393	0	63	0.0	-71.75	469.26	11.40	-60.35
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300013756393	1	63	0.0	-67.06	469.71	11.43	-55.63
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCCCCC(=O)[O-])=C1	REAL300013756394	0	59	0.0	-76.20	456.29	10.03	-66.17
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCCCCC(=O)[O-])=C1	REAL300013756394	1	59	0.0	-76.40	456.57	10.02	-66.38
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013756395	0	60	0.0	-74.56	472.56	11.35	-63.21
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013756395	1	60	0.0	-74.85	472.83	11.34	-63.51
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCCC(=O)[O-])=C1	REAL300013756396	0	53	0.0	-73.44	413.29	8.46	-64.98
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCCC(=O)[O-])=C1	REAL300013756396	1	53	0.0	-73.81	413.57	8.45	-65.36
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013756397	0	62	0.0	-74.93	477.79	10.82	-64.11
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013756397	1	62	0.0	-75.00	478.07	10.81	-64.19
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013756398	0	59	0.0	-76.21	448.15	9.92	-66.29
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013756398	1	59	0.0	-76.66	449.01	9.90	-66.76
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300013756399	0	60	0.0	-76.75	447.10	11.03	-65.72
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300013756399	1	60	0.0	-81.50	453.07	11.37	-70.13
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)=C1	REAL300013756400	0	63	0.0	-60.11	470.38	12.33	-47.78
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)=C1	REAL300013756400	1	63	0.0	-60.26	470.58	12.30	-47.96
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013756401	0	63	0.0	-77.43	456.89	11.72	-65.71
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013756401	1	63	0.0	-72.64	462.38	12.03	-60.61
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013756402	0	56	0.0	-70.97	434.79	9.25	-61.72
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013756402	1	56	0.0	-71.21	435.07	9.24	-61.97
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300013756403	0	63	0.0	-60.18	458.37	11.95	-48.23
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300013756403	1	63	0.0	-80.74	458.69	11.94	-68.80
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013756404	0	62	0.0	-71.90	467.50	10.13	-61.77
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013756404	1	62	0.0	-72.14	467.77	10.11	-62.03
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300013756405	0	65	0.0	-70.09	480.39	10.94	-59.15
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300013756405	1	65	0.0	-70.27	480.66	10.93	-59.34
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC(C)C(=O)[O-])=C1	REAL300013756406	0	56	0.0	-74.08	430.96	9.20	-64.88
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC(C)C(=O)[O-])=C1	REAL300013756406	1	56	0.0	-74.41	431.24	9.19	-65.22
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013756407	0	62	0.0	-64.04	463.68	10.53	-53.51
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013756407	1	62	0.0	-64.40	464.08	10.52	-53.88
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013756408	0	60	0.0	-69.44	450.59	10.17	-59.27
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013756408	1	60	0.0	-69.13	456.80	10.51	-58.62
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013756409	0	63	0.0	-69.78	467.55	10.95	-58.83
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013756409	1	63	0.0	-69.72	473.82	11.31	-58.41
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)=C1	REAL300013756410	0	63	0.0	-73.56	461.20	12.46	-61.10
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)=C1	REAL300013756410	1	63	0.0	-74.32	461.53	12.45	-61.87
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013756411	0	60	0.0	-67.86	456.00	10.43	-57.43
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013756411	1	60	0.0	-63.77	455.56	10.60	-53.17
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013756412	0	63	0.0	-75.20	480.46	11.31	-63.89
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013756412	1	63	0.0	-78.03	481.10	11.32	-66.71
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013756413	0	63	0.0	-77.43	456.89	11.72	-65.71
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013756413	1	63	0.0	-72.64	462.38	12.03	-60.61
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013756414	0	60	0.0	-77.09	460.48	11.11	-65.98
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013756414	1	60	0.0	-70.11	466.44	11.46	-58.65
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013756415	0	57	0.0	-72.40	439.93	9.81	-62.59
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013756415	1	57	0.0	-72.50	440.43	9.81	-62.69
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013756416	0	60	0.0	-63.03	448.07	11.71	-51.32
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013756416	1	60	0.0	-60.75	449.06	11.71	-49.04
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013756417	0	60	0.0	-64.70	444.16	11.45	-53.25
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013756417	1	60	0.0	-61.98	450.33	11.78	-50.20
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013756418	0	57	0.0	-72.46	434.45	9.51	-62.95
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013756418	1	57	0.0	-72.90	440.83	9.82	-63.08
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013756419	0	57	0.0	-74.81	434.13	9.53	-65.28
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013756419	1	57	0.0	-73.98	440.65	9.86	-64.12
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013756420	0	60	0.0	-74.56	472.56	11.35	-63.21
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013756420	1	60	0.0	-74.85	472.83	11.34	-63.51
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC(CC)C(=O)[O-])=C1	REAL300013756421	0	59	0.0	-67.91	448.78	10.02	-57.89
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC(CC)C(=O)[O-])=C1	REAL300013756421	1	59	0.0	-70.10	454.07	9.91	-60.19
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCCCCCCC(=O)[O-])=C1	REAL300013756422	0	65	0.0	-77.73	499.29	11.60	-66.13
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCCCCCCC(=O)[O-])=C1	REAL300013756422	1	65	0.0	-77.96	499.56	11.59	-66.37
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(C)CCCC(=O)[O-])=C1	REAL300013756423	0	59	0.0	-78.92	452.42	11.65	-67.27
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(C)CCCC(=O)[O-])=C1	REAL300013756423	1	59	0.0	-79.24	452.70	11.65	-67.59
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300013756424	0	63	0.0	-79.31	458.41	12.16	-67.15
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300013756424	1	63	0.0	-79.86	464.41	12.48	-67.38
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300013756425	0	63	0.0	-59.37	484.10	11.00	-48.37
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300013756425	1	63	0.0	-59.53	484.39	11.00	-48.53
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300013756426	0	63	0.0	-61.72	463.71	12.30	-49.42
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300013756426	1	63	0.0	-60.36	464.98	12.29	-48.07
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013756427	0	61	0.0	-75.81	453.19	8.96	-66.85
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013756427	1	61	0.0	-76.00	459.26	9.30	-66.70
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013756428	0	58	0.0	-79.73	444.30	9.71	-70.02
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013756428	1	58	0.0	-78.20	450.28	10.04	-68.16
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013756429	0	63	0.0	-66.86	469.43	11.42	-55.44
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013756429	1	63	0.0	-67.13	469.71	11.43	-55.70
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300013756430	0	63	0.0	-75.82	466.27	12.40	-63.42
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300013756430	1	63	0.0	-75.13	467.37	12.42	-62.71
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013756431	0	63	0.0	-71.65	474.98	11.03	-60.62
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013756431	1	63	0.0	-73.93	475.75	11.04	-62.89
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300013756432	0	63	0.0	-71.31	474.65	11.03	-60.28
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300013756432	1	63	0.0	-71.59	474.94	11.03	-60.56
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300013756433	0	61	0.0	-68.45	461.93	8.58	-59.87
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300013756433	1	61	0.0	-68.65	462.22	8.58	-60.07
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013756434	0	58	0.0	-73.68	445.71	10.20	-63.48
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013756434	1	58	0.0	-73.86	451.97	10.54	-63.32
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013756435	0	57	0.0	-65.90	434.74	9.84	-56.06
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013756435	1	57	0.0	-63.02	440.72	10.18	-52.84
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013756436	0	61	0.0	-79.17	451.39	10.63	-68.54
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013756436	1	61	0.0	-79.84	457.47	10.97	-68.87
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])C2)=C1	REAL300013756437	0	54	0.0	-66.31	420.86	10.01	-56.30
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])C2)=C1	REAL300013756437	1	54	0.0	-67.84	421.31	10.02	-57.82
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013756438	0	57	0.0	-74.67	435.91	10.82	-63.85
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013756438	1	57	0.0	-74.94	436.19	10.82	-64.12
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013756439	0	58	0.0	-78.00	451.03	10.55	-67.45
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013756439	1	58	0.0	-78.29	451.62	10.56	-67.73
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NC(C)CCC(=O)[O-])=C1	REAL300013756440	0	59	0.0	-67.63	454.55	10.26	-57.37
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NC(C)CCC(=O)[O-])=C1	REAL300013756440	1	59	0.0	-67.87	454.82	10.26	-57.61
COCCC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCC1	REAL300013756522	1	55	0.0	-35.73	403.21	6.32	-29.41
CCOCCC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCC1	REAL300013756596	1	58	0.0	-35.63	425.07	7.28	-28.35
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C(Cl)N=C2)CC1	REAL300013756666	1	44	0.0	-45.67	366.36	5.69	-39.98
COCCC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCC1	REAL300013756729	1	52	0.0	-35.79	389.15	5.54	-30.25
CC1=CC=CC=C1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013756785	1	48	0.0	-41.87	369.98	7.51	-34.36
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=C(F)C=CC=C2Cl)CC1	REAL300013756853	1	45	0.0	-41.80	374.01	7.50	-34.30
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=NC=CC=C2Cl)CC1	REAL300013756955	1	45	0.0	-42.34	376.22	3.84	-38.50
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=C(Cl)C=N2)CC1	REAL300013757029	1	45	0.0	-36.96	377.31	3.81	-33.15
CCC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCC1	REAL300013757082	1	51	0.0	-35.09	369.54	7.25	-27.84
CC1=CC(C)=NN1C1=CC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013757140	1	55	0.0	-38.82	429.21	9.39	-29.43
CC1(C)CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300013757296	1	53	0.0	-37.41	394.65	7.02	-30.39
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NOC(C2=CC=CC=C2)=N1	REAL300013757526	1	50	0.0	-37.15	404.38	5.54	-31.61
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013757619	0	58	0.0	-75.30	421.79	11.04	-64.26
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013757620	0	58	0.0	-80.39	440.53	10.99	-69.40
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013757621	0	56	0.0	-67.93	406.43	9.30	-58.63
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013757622	0	61	0.0	-80.35	447.15	10.23	-70.12
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCCCCC(=O)[O-]	REAL300013757623	0	57	0.0	-78.75	429.61	9.25	-69.50
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013757624	0	58	0.0	-79.15	445.87	11.36	-67.79
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCCC(=O)[O-]	REAL300013757625	0	51	0.0	-76.40	386.61	7.68	-68.72
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCCCCCC(=O)[O-]	REAL300013757626	0	60	0.0	-77.58	451.10	10.03	-67.55
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013757627	0	57	0.0	-79.37	421.46	9.14	-70.23
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013757628	0	58	0.0	-79.62	425.31	11.35	-68.27
CC1CC(C(=O)[O-])CN(C(=O)NC2C(C)C[NH+](CC3=CC=CC=C3)CC2C)C1	REAL300013757629	0	61	0.0	-83.26	439.82	11.77	-71.49
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013757630	0	61	0.0	-78.02	435.42	11.34	-66.68
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCCCC(=O)[O-]	REAL300013757631	0	54	0.0	-74.16	408.11	8.47	-65.69
CC1CCN(C(=O)NC2C(C)C[NH+](CC3=CC=CC=C3)CC2C)CC1C(=O)[O-]	REAL300013757632	0	61	0.0	-64.52	423.89	11.07	-53.45
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013757633	0	60	0.0	-75.28	440.81	9.35	-65.93
CCC(CC)(CNC(=O)NC1C(C)C[NH+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013757634	0	63	0.0	-70.30	453.70	10.16	-60.14
CC(CNC(=O)NC1C(C)C[NH+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013757635	0	54	0.0	-77.96	405.97	8.46	-69.50
CC(C)C(CNC(=O)NC1C(C)C[NH+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013757636	0	60	0.0	-68.36	438.64	9.73	-58.63
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013757637	0	58	0.0	-70.81	429.86	9.77	-61.04
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013757638	0	61	0.0	-66.42	446.52	11.32	-55.10
CC1CN(C(=O)NC2C(C)C[NH+](CC3=CC=CC=C3)CC2C)CCC1C(=O)[O-]	REAL300013757639	0	61	0.0	-76.01	426.73	11.57	-64.44
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013757640	0	58	0.0	-65.78	424.15	10.10	-55.68
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013757641	0	61	0.0	-76.30	453.61	11.25	-65.05
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013757642	0	61	0.0	-78.02	435.42	11.34	-66.68
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013757643	0	58	0.0	-73.79	439.47	11.48	-62.31
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013757644	0	55	0.0	-72.26	413.54	9.84	-62.42
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013757645	0	58	0.0	-65.01	414.36	10.86	-54.15
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013757646	0	58	0.0	-84.96	417.92	11.49	-73.47
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013757647	0	55	0.0	-75.46	408.19	9.44	-66.02
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013757648	0	55	0.0	-76.81	408.42	9.54	-67.27
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013757649	0	58	0.0	-79.15	445.87	11.36	-67.79
CCC(CNC(=O)NC1C(C)C[NH+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013757650	0	57	0.0	-70.38	427.11	9.14	-61.24
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCCCCCCC(=O)[O-]	REAL300013757651	0	63	0.0	-80.12	472.60	10.82	-69.30
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N(C)CCCC(=O)[O-]	REAL300013757652	0	57	0.0	-80.58	420.40	11.27	-69.31
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013757653	0	61	0.0	-80.88	437.45	12.50	-68.38
COCCN(CCC(=O)[O-])C(=O)NC1C(C)C[NH+](CC2=CC=CC=C2)CC1C	REAL300013757654	0	61	0.0	-64.31	457.42	10.22	-54.09
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013757655	0	61	0.0	-64.96	437.61	12.35	-52.61
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013757656	0	59	0.0	-78.13	432.20	9.29	-68.84
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013757657	0	56	0.0	-79.52	414.10	9.18	-70.34
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013757658	0	61	0.0	-72.04	443.09	10.71	-61.33
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013757659	0	61	0.0	-78.58	440.33	11.71	-66.87
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013757660	0	61	0.0	-74.74	438.78	10.17	-64.57
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013757661	0	61	0.0	-75.59	442.63	10.64	-64.95
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013757662	0	59	0.0	-67.32	435.20	8.60	-58.72
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013757663	0	56	0.0	-75.63	419.42	10.17	-65.46
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCC1(C(=O)[O-])CC1	REAL300013757664	0	55	0.0	-62.85	408.05	9.71	-53.14
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013757665	0	62	0.0	-70.37	442.69	11.77	-58.60
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013757666	0	59	0.0	-81.26	430.34	10.99	-70.27
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CC(C(=O)[O-])C1	REAL300013757667	0	52	0.0	-70.12	385.15	9.16	-60.96
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N1CCC(C(=O)[O-])C1	REAL300013757668	0	55	0.0	-79.85	403.93	10.47	-69.38
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013757669	0	56	0.0	-79.75	424.01	10.51	-69.24
CC(CCC(=O)[O-])NC(=O)NC1C(C)C[NH+](CC2=CC=CC=C2)CC1C	REAL300013757670	0	57	0.0	-72.23	427.86	9.48	-62.75
CCC(NC(=O)N1CCC(C(=O)[O-])CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757671	1	59	0.0	-76.54	434.83	9.79	-66.75
CCC(NC(=O)N1CCC(C(=O)[O-])CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757671	1	59	0.0	-79.05	435.71	9.98	-69.07
CCC(NC(=O)N1CCOC(C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757672	1	57	0.0	-64.33	416.35	7.86	-56.47
CCC(NC(=O)N1CCOC(C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757672	1	57	0.0	-82.35	417.03	7.85	-74.50
CCC(NC(=O)NCCCCC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757673	1	58	0.0	-77.63	430.75	7.79	-69.84
CCC(NC(=O)NCCCCC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757673	1	58	0.0	-79.30	432.01	7.66	-71.64
CCC(NC(=O)NCCC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757674	1	52	0.0	-74.20	387.75	6.22	-67.98
CCC(NC(=O)NCCC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757674	1	52	0.0	-75.48	389.01	6.08	-69.40
CCC(NC(=O)NCCCCCC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757675	1	61	0.0	-76.28	452.25	8.57	-67.71
CCC(NC(=O)NCCCCCC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757675	1	61	0.0	-77.51	453.51	8.44	-69.07
CCC(NC(=O)NCC(C)(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757676	1	58	0.0	-77.76	423.19	7.67	-70.09
CCC(NC(=O)NCC(C)(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757676	1	58	0.0	-77.53	423.21	7.68	-69.85
CCC(NC(=O)N1CCC(C)(C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757677	1	59	0.0	-81.51	438.63	9.40	-72.11
CCC(NC(=O)N1CCC(C)(C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757677	1	59	0.0	-73.23	437.68	9.63	-63.60
CCC(NC(=O)NCCCC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757678	1	55	0.0	-71.78	409.25	7.01	-64.77
CCC(NC(=O)NCCCC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757678	1	55	0.0	-72.30	410.51	6.87	-65.43
CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757679	1	61	0.0	-72.87	441.95	7.89	-64.98
CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757679	1	61	0.0	-73.13	442.56	7.89	-65.24
CCC(NC(=O)NCC(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757680	1	55	0.0	-76.47	407.11	7.00	-69.47
CCC(NC(=O)NCC(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757680	1	55	0.0	-75.12	406.90	6.97	-68.15
CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757681	1	61	0.0	-62.48	445.04	8.16	-54.32
CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757681	1	61	0.0	-62.87	445.64	8.15	-54.72
CCC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757682	1	59	0.0	-72.38	431.82	8.15	-64.23
CCC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757682	1	59	0.0	-72.06	442.21	8.67	-63.39
CCC(NC(=O)NCC1(C(=O)[O-])CCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757683	1	59	0.0	-57.85	439.50	8.81	-49.04
CCC(NC(=O)NCC1(C(=O)[O-])CCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757683	1	59	0.0	-58.70	429.24	8.42	-50.28
CCC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757684	1	56	0.0	-73.56	425.87	7.96	-65.60
CCC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757684	1	56	0.0	-70.22	425.08	8.10	-62.12
CCC(NC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757685	1	59	0.0	-56.08	435.20	9.80	-46.28
CCC(NC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757685	1	59	0.0	-82.78	424.88	9.40	-73.38
CCC(NC(=O)N1CCC[C@H](C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757686	1	59	0.0	-83.20	425.31	9.41	-73.79
CCC(NC(=O)N1CCC[C@H](C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757686	1	59	0.0	-80.27	424.08	9.53	-70.74
CCC(NC(=O)NC1CC(C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757687	1	56	0.0	-70.87	426.25	7.96	-62.91
CCC(NC(=O)NC1CC(C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757687	1	56	0.0	-75.83	414.89	7.62	-68.21
CCC(NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757688	1	56	0.0	-75.66	414.56	7.61	-68.05
CCC(NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757688	1	56	0.0	-75.44	424.93	8.14	-67.30
CCC(CNC(=O)NC(CC)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300013757689	1	58	0.0	-69.50	428.25	7.68	-61.82
CCC(CNC(=O)NC(CC)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300013757689	1	58	0.0	-67.68	429.50	7.54	-60.14
CCC(NC(=O)N(C)CCCC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757690	1	58	0.0	-75.70	428.05	9.27	-66.43
CCC(NC(=O)N(C)CCCC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757690	1	58	0.0	-80.44	427.49	9.39	-71.05
CCC(NC(=O)NC12CC(C(=O)[O-])(C1)C2)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757691	1	57	0.0	-79.86	435.36	8.32	-71.54
CCC(NC(=O)NC12CC(C(=O)[O-])(C1)C2)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757691	1	57	0.0	-82.22	425.70	7.66	-74.56
CCC(NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757692	1	57	0.0	-69.52	437.70	8.67	-60.85
CCC(NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757692	1	57	0.0	-70.11	427.41	8.15	-61.96
CCC(NC(=O)NCC1(C(=O)[O-])CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757693	1	56	0.0	-64.06	425.81	8.47	-55.59
CCC(NC(=O)NCC1(C(=O)[O-])CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757693	1	56	0.0	-64.57	415.51	7.95	-56.62
CCC(NC(=O)N1CC(C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757694	1	53	0.0	-66.38	406.36	8.30	-58.08
CCC(NC(=O)N1CC(C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757694	1	53	0.0	-68.21	406.47	8.17	-60.04
CCC(NC(=O)N1CCC(C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757695	1	56	0.0	-76.90	411.19	8.43	-68.47
CCC(NC(=O)N1CCC(C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757695	1	56	0.0	-75.36	410.99	8.56	-66.80
CCC(NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757696	1	57	0.0	-81.17	437.00	8.69	-72.48
CCC(NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757696	1	57	0.0	-80.23	435.86	8.82	-71.41
CCC(NC(=O)NC(C)CCC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013757697	1	58	0.0	-71.78	440.52	8.39	-63.39
CCC(NC(=O)NC(C)CCC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013757697	1	58	0.0	-67.40	430.27	7.87	-59.53
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCC3OCCC32)CC1	REAL300013757718	1	50	0.0	-36.65	370.26	5.25	-31.40
O=C([O-])C[NH+]1CCC(NC(=O)NCCCOC2=CC3=CC=CC=C3C=C2)CC1	REAL300013757786	1	55	0.0	-39.26	430.24	8.88	-30.38
C[C@H](CC1CCCCC1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013757875	1	54	0.0	-35.10	394.81	8.24	-26.86
COCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013757944	1	49	0.0	-39.39	398.06	6.83	-32.56
CS(=O)(=O)C1=CC=CN=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013758019	1	47	0.0	-50.03	375.16	2.72	-47.31
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(OCC(F)(F)F)=N2)CC1	REAL300013758092	1	48	0.0	-38.38	401.74	4.30	-34.08
CC1=CC=CC(OCCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C	REAL300013758211	1	55	0.0	-37.98	421.30	7.89	-30.09
COC(=O)N1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013758325	1	50	0.0	-40.06	383.38	4.63	-35.43
O=C([O-])C[NH+]1CCC(NC(=O)NC2CC3=CC=CC=C32)CC1	REAL300013758374	1	43	0.0	-37.19	338.72	6.91	-30.28
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC(C3=CC=CC(F)=C3)=NO2)CC1	REAL300013758431	1	47	0.0	-39.06	390.45	4.99	-34.07
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NC(C(F)(F)F)=CS1	REAL300013758503	1	44	0.0	-40.18	377.70	5.21	-34.97
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC(C3=CC=CC=C3F)=CS2)CC1	REAL300013758574	1	48	0.0	-41.34	400.28	7.22	-34.12
O=C([O-])C[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C2CC2)CC1	REAL300013758637	1	45	0.0	-36.34	355.40	7.06	-29.28
CSC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCC1	REAL300013758714	1	46	0.0	-38.35	360.36	6.42	-31.93
CSC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013758758	1	43	0.0	-34.83	345.55	6.02	-28.81
CC(=O)NC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013758812	1	48	0.0	-45.76	385.61	4.81	-40.95
CC1=CC=C(C2(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)CCC2)C=C1C	REAL300013758888	1	58	0.0	-35.79	432.58	9.81	-25.98
CCN1C=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1=O	REAL300013758957	1	48	0.0	-44.24	378.82	6.01	-38.23
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2C2=CC=CC(F)=C2)CC1	REAL300013759025	1	46	0.0	-42.92	366.78	7.73	-35.19
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2C2=CC=CC(Br)=C2)CC1	REAL300013759096	1	46	0.0	-42.07	381.67	8.28	-33.79
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1	REAL300013759151	1	52	0.0	-35.13	386.81	8.00	-27.13
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2C2=CC=C(F)C=C2)CC1	REAL300013759215	1	46	0.0	-38.38	367.16	7.76	-30.62
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=CC=C2Br)CC1	REAL300013759287	1	45	0.0	-42.29	370.84	7.49	-34.80
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=C(F)C=C(F)C(F)=C2F)CC1	REAL300013759361	1	42	0.0	-37.06	356.34	6.44	-30.62
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCN(C3=CC=CC=C3)C2)CC1	REAL300013759437	1	57	0.0	-37.28	423.69	7.57	-29.71
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC(F)=C(Cl)C=C2F)CC1	REAL300013759510	1	42	0.0	-36.32	361.40	6.86	-29.46
COCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CCCO1	REAL300013759581	1	50	0.0	-35.62	375.79	5.19	-30.43
COC(=O)[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013759643	1	48	0.0	-38.10	371.26	5.97	-32.13
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=C(Br)C=CS2)CC1	REAL300013759722	1	39	0.0	-35.52	342.43	5.86	-29.66
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(C3=CC=CO3)C=C2F)CC1	REAL300013759795	1	49	0.0	-38.02	398.52	7.99	-30.03
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCSC2)CC1	REAL300013759843	1	43	0.0	-38.05	338.33	5.67	-32.38
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013759866	0	51	0.0	-67.57	349.90	9.18	-58.39
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013759866	1	51	0.0	-72.44	351.80	8.19	-64.25
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013759867	0	51	0.0	-75.29	374.18	7.73	-67.56
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013759867	1	51	0.0	-75.28	374.41	7.79	-67.49
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013759868	0	49	0.0	-56.15	343.13	7.63	-48.52
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013759868	1	49	0.0	-56.14	343.45	6.60	-49.54
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013759869	0	54	0.0	-62.17	371.52	7.81	-54.36
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013759869	1	54	0.0	-66.00	370.80	8.87	-57.13
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013759870	0	51	0.0	-72.20	374.18	7.72	-64.48
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013759870	1	51	0.0	-75.52	374.43	7.77	-67.75
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013759871	0	53	0.0	-73.46	379.42	7.19	-66.27
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013759871	1	53	0.0	-71.98	379.12	8.29	-63.69
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013759872	0	61	0.0	-73.14	422.50	12.33	-60.81
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013759872	1	61	0.0	-75.91	428.74	11.66	-64.25
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013759873	0	51	0.0	-72.22	357.06	8.80	-63.42
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013759873	1	51	0.0	-73.42	356.18	7.71	-65.71
CC1CC(C(=O)[O-])CN(C(=O)NCC2[N@H+](C)CCCC2(C)C)C1	REAL300013759874	0	54	0.0	-78.61	370.54	9.01	-69.60
CC1CC(C(=O)[O-])CN(C(=O)NCC2[N@@H+](C)CCCC2(C)C)C1	REAL300013759874	1	54	0.0	-53.13	367.33	10.03	-43.10
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013759875	0	54	0.0	-74.53	363.60	8.36	-66.17
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013759875	1	54	0.0	-70.80	363.78	8.40	-62.40
CC1CCN(C(=O)NCC2[N@H+](C)CCCC2(C)C)CC1C(=O)[O-]	REAL300013759876	0	54	0.0	-51.10	366.78	9.67	-41.43
CC1CCN(C(=O)NCC2[N@@H+](C)CCCC2(C)C)CC1C(=O)[O-]	REAL300013759876	1	54	0.0	-54.43	371.03	8.72	-45.71
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013759877	0	55	0.0	-57.26	376.19	6.88	-50.38
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013759877	1	55	0.0	-62.58	376.20	6.89	-55.69
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013759878	0	53	0.0	-68.97	369.71	6.51	-62.46
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013759878	1	53	0.0	-68.86	369.95	6.57	-62.29
CCC(CC)(CNC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300013759879	0	56	0.0	-55.62	379.80	7.65	-47.97
CCC(CC)(CNC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300013759879	1	56	0.0	-58.31	378.54	7.66	-50.65
CC(C)C(CNC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300013759880	0	53	0.0	-58.28	372.20	6.77	-51.51
CC(C)C(CNC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300013759880	1	53	0.0	-55.56	367.20	6.93	-48.63
CC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013759881	0	60	0.0	-75.27	412.55	9.45	-65.82
CC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013759881	1	60	0.0	-79.67	413.26	8.39	-71.28
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013759882	0	57	0.0	-58.12	405.29	8.95	-49.17
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013759882	1	57	0.0	-58.19	405.54	9.00	-49.19
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013759883	0	51	0.0	-64.14	357.52	7.98	-56.16
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013759883	1	51	0.0	-68.11	357.00	7.26	-60.85
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013759884	0	57	0.0	-70.29	390.74	10.66	-59.63
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013759884	1	57	0.0	-73.63	391.11	9.59	-64.04
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013759885	0	53	0.0	-74.83	367.87	7.36	-67.47
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013759885	1	53	0.0	-67.73	367.96	7.33	-60.40
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013759886	0	54	0.0	-57.00	374.61	8.77	-48.23
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013759886	1	54	0.0	-60.33	375.18	7.72	-52.61
CC1CN(C(=O)NCC2[N@H+](C)CCCC2(C)C)CCC1C(=O)[O-]	REAL300013759887	0	54	0.0	-68.03	363.95	9.93	-58.10
CC1CN(C(=O)NCC2[N@@H+](C)CCCC2(C)C)CCC1C(=O)[O-]	REAL300013759887	1	54	0.0	-71.31	366.18	8.59	-62.72
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013759888	0	51	0.0	-54.85	356.31	8.10	-46.75
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013759888	1	51	0.0	-57.68	357.15	7.03	-50.65
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013759889	0	54	0.0	-63.46	380.38	7.69	-55.77
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013759889	1	54	0.0	-69.24	382.02	8.76	-60.48
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013759890	0	54	0.0	-74.53	363.60	8.36	-66.17
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013759890	1	54	0.0	-70.80	363.78	8.40	-62.40
CC(C)C[C@H](CNC(=O)NCC1[N@H+](C)CCCC1(C)C)CC(=O)[O-]	REAL300013759891	0	59	0.0	-69.43	402.67	8.02	-61.41
CC(C)C[C@H](CNC(=O)NCC1[N@@H+](C)CCCC1(C)C)CC(=O)[O-]	REAL300013759891	1	59	0.0	-65.19	402.53	9.12	-56.07
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013759892	0	51	0.0	-61.19	367.80	7.83	-53.36
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013759892	1	51	0.0	-68.79	367.49	8.95	-59.84
COCC1(C(=O)[O-])CCN(C(=O)NCC2[N@H+](C)CCCC2(C)C)C1	REAL300013759893	0	55	0.0	-75.57	385.65	8.74	-66.83
COCC1(C(=O)[O-])CCN(C(=O)NCC2[N@@H+](C)CCCC2(C)C)C1	REAL300013759893	1	55	0.0	-79.70	386.82	6.86	-72.84
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013759894	0	56	0.0	-72.16	389.15	6.32	-65.84
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013759894	1	56	0.0	-76.12	389.71	5.27	-70.85
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3[N@H+](C)CCCC3(C)C)C2)C=N1	REAL300013759895	0	61	0.0	-79.94	433.02	9.75	-70.19
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3[N@@H+](C)CCCC3(C)C)C2)C=N1	REAL300013759895	1	61	0.0	-79.45	433.30	10.45	-69.00
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013759896	0	51	0.0	-52.45	350.90	9.20	-43.25
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013759896	1	51	0.0	-75.17	350.68	9.17	-66.00
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013759897	0	51	0.0	-53.86	350.88	8.48	-45.38
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013759897	1	51	0.0	-53.79	351.17	9.19	-44.60
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013759898	0	51	0.0	-72.20	374.18	7.72	-64.48
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013759898	1	51	0.0	-75.52	374.43	7.77	-67.75
COC(=O)C1CC2(C1)CN(C(=O)NCC1[N@H+](C)CCCC1(C)C)CC2C(=O)[O-]	REAL300013759899	0	61	0.0	-59.85	429.42	10.57	-49.28
COC(=O)C1CC2(C1)CN(C(=O)NCC1[N@@H+](C)CCCC1(C)C)CC2C(=O)[O-]	REAL300013759899	1	61	0.0	-64.85	434.88	9.63	-55.22
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013759900	0	57	0.0	-79.55	384.13	10.57	-68.98
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013759900	1	57	0.0	-81.29	384.93	9.52	-71.77
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013759901	0	59	0.0	-76.04	422.41	8.75	-67.29
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013759901	1	59	0.0	-74.35	422.11	9.85	-64.50
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013759902	0	56	0.0	-77.38	400.91	7.97	-69.41
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013759902	1	56	0.0	-77.31	401.15	8.02	-69.29
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013759903	0	54	0.0	-53.73	365.58	9.92	-43.81
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013759903	1	54	0.0	-80.28	366.12	8.86	-71.42
COCC1(C(=O)[O-])CCCN(C(=O)NCC2[N@H+](C)CCCC2(C)C)C1	REAL300013759904	0	58	0.0	-79.98	396.69	9.73	-70.25
COCC1(C(=O)[O-])CCCN(C(=O)NCC2[N@@H+](C)CCCC2(C)C)C1	REAL300013759904	1	58	0.0	-82.96	397.19	8.65	-74.31
COCCN(CCC(=O)[O-])C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300013759905	0	54	0.0	-50.47	384.35	8.44	-42.03
COCCN(CCC(=O)[O-])C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300013759905	1	54	0.0	-50.09	381.66	7.66	-42.43
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013759906	0	57	0.0	-57.87	390.94	10.64	-47.23
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013759906	1	57	0.0	-79.40	391.83	9.61	-69.79
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013759907	0	55	0.0	-80.99	384.21	11.16	-69.83
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013759907	1	55	0.0	-84.95	386.83	10.16	-74.79
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2[N@H+](C)CCCC2(C)C)CCO1	REAL300013759908	0	62	0.0	-65.78	432.59	9.45	-56.33
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2[N@@H+](C)CCCC2(C)C)CCO1	REAL300013759908	1	62	0.0	-83.28	432.71	7.82	-75.46
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013759909	0	52	0.0	-71.75	363.37	6.83	-64.92
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013759909	1	52	0.0	-65.35	363.69	6.86	-58.49
CC1CCC(C(=O)[O-])CN1C(=O)NCC1[N@H+](C)CCCC1(C)C	REAL300013759910	0	54	0.0	-54.58	365.94	9.76	-44.82
CC1CCC(C(=O)[O-])CN1C(=O)NCC1[N@@H+](C)CCCC1(C)C	REAL300013759910	1	54	0.0	-52.12	367.81	8.76	-43.36
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013759911	0	58	0.0	-59.50	412.74	10.96	-48.54
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013759911	1	58	0.0	-63.39	412.55	11.24	-52.15
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013759912	0	52	0.0	-72.63	360.22	6.78	-65.85
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013759912	1	52	0.0	-55.04	359.75	6.74	-48.30
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013759913	0	55	0.0	-69.82	392.82	9.94	-59.88
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013759913	1	55	0.0	-70.08	392.55	8.77	-61.31
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013759914	0	58	0.0	-88.31	402.17	9.02	-79.29
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013759914	1	58	0.0	-81.19	402.71	8.00	-73.19
COCC1(C(=O)[O-])CCN(C(=O)NCC2[N@H+](C)CCCC2(C)C)CC1	REAL300013759915	0	58	0.0	-69.26	394.27	9.39	-59.87
COCC1(C(=O)[O-])CCN(C(=O)NCC2[N@@H+](C)CCCC2(C)C)CC1	REAL300013759915	1	58	0.0	-76.76	395.81	8.21	-68.55
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013759916	0	49	0.0	-78.13	352.01	6.46	-71.67
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013759916	1	49	0.0	-75.61	351.35	7.50	-68.11
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013759917	0	60	0.0	-62.73	397.30	9.56	-53.17
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013759917	1	60	0.0	-64.31	398.32	8.42	-55.89
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013759918	0	54	0.0	-61.87	370.82	8.94	-52.93
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013759918	1	54	0.0	-64.96	370.35	8.11	-56.85
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013759919	0	57	0.0	-73.38	394.93	9.20	-64.18
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013759919	1	57	0.0	-74.93	395.06	8.33	-66.60
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013759920	0	54	0.0	-62.80	368.43	9.88	-52.92
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013759920	1	54	0.0	-64.60	368.79	8.81	-55.79
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013759921	0	55	0.0	-72.25	385.02	9.28	-62.97
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013759921	1	55	0.0	-75.54	385.40	8.22	-67.32
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013759922	0	54	0.0	-69.26	375.76	7.74	-61.52
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013759922	1	54	0.0	-69.88	376.54	8.50	-61.38
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013759923	0	54	0.0	-67.17	372.58	7.88	-59.29
C[N@H+]1CCCC(C)(C)C1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013759923	1	54	0.0	-66.84	371.55	8.94	-57.90
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013759924	0	55	0.0	-64.97	381.19	7.36	-57.61
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013759924	1	55	0.0	-59.71	378.49	7.04	-52.67
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013759925	0	52	0.0	-61.26	363.25	6.06	-55.20
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013759925	1	52	0.0	-55.53	364.16	5.22	-50.31
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013759926	0	63	0.0	-75.59	449.40	10.11	-65.48
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013759926	1	63	0.0	-75.51	449.69	10.16	-65.35
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013759927	0	49	0.0	-66.35	353.11	8.04	-58.31
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013759927	1	49	0.0	-68.96	352.79	7.99	-60.97
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013759928	0	55	0.0	-61.93	379.57	10.04	-51.89
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013759928	1	55	0.0	-60.46	380.16	9.01	-51.45
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013759929	0	51	0.0	-66.99	370.25	9.02	-57.97
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013759929	1	51	0.0	-62.49	368.64	7.96	-54.53
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013759930	0	52	0.0	-56.95	358.62	8.44	-48.51
C[N@H+]1CCCC(C)(C)C1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013759930	1	52	0.0	-79.79	358.97	7.38	-72.41
COC1CC(C(=O)[O-])CN(C(=O)NCC2[N@H+](C)CCCC2(C)C)C1	REAL300013759931	0	55	0.0	-53.44	383.02	8.15	-45.29
COC1CC(C(=O)[O-])CN(C(=O)NCC2[N@@H+](C)CCCC2(C)C)C1	REAL300013759931	1	55	0.0	-78.01	381.68	8.27	-69.74
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013759932	0	49	0.0	-77.43	352.55	6.94	-70.49
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013759932	1	49	0.0	-74.47	352.38	8.00	-66.47
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300013759964	1	47	0.0	-48.36	373.82	7.36	-41.00
CCS(=O)(=O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013760051	1	48	0.0	-43.11	407.70	3.84	-39.27
O=C([O-])C1CCN(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013760138	0	52	0.0	-77.22	395.41	10.02	-67.20
O=C([O-])C1CCN(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013760138	1	52	0.0	-75.66	395.75	10.01	-65.65
O=C([O-])C1=CC=C(CNC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013760139	0	52	0.0	-79.27	415.83	9.51	-69.76
O=C([O-])C1=CC=C(CNC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013760139	1	52	0.0	-79.60	416.90	9.47	-70.13
O=C([O-])C1CN(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300013760140	0	50	0.0	-66.56	387.36	8.44	-58.12
O=C([O-])C1CN(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300013760140	1	50	0.0	-81.21	385.96	8.29	-72.92
O=C([O-])C1CCC(NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013760141	0	55	0.0	-80.64	420.64	9.26	-71.38
O=C([O-])C1CCC(NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013760141	1	55	0.0	-80.10	419.69	9.23	-70.87
O=C([O-])CCCCNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013760142	0	51	0.0	-78.04	399.57	8.19	-69.85
O=C([O-])CCCCNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013760142	1	51	0.0	-78.45	402.11	8.25	-70.20
O=C([O-])C1=CC(CNC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1	REAL300013760143	0	52	0.0	-79.51	418.00	9.56	-69.95
O=C([O-])C1=CC(CNC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1	REAL300013760143	1	52	0.0	-79.30	416.91	9.46	-69.84
O=C([O-])CCNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013760144	0	45	0.0	-74.99	356.58	6.61	-68.38
O=C([O-])CCNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013760144	1	45	0.0	-75.56	357.64	6.57	-68.99
O=C([O-])CCCCCNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013760145	0	54	0.0	-77.41	423.24	9.03	-68.38
O=C([O-])CCCCCNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013760145	1	54	0.0	-77.41	423.61	9.03	-68.38
CC(C)(CNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013760146	0	51	0.0	-78.56	393.59	8.15	-70.41
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CC1CC(C(=O)[O-])CN(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013760148	0	55	0.0	-81.74	416.20	10.58	-71.16
CC1CC(C(=O)[O-])CN(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013760148	1	55	0.0	-80.98	417.38	10.59	-70.39
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013760149	0	55	0.0	-77.09	405.59	10.13	-66.96
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013760149	1	55	0.0	-77.33	407.23	10.17	-67.16
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CC1CCN(C(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300013760151	0	55	0.0	-80.77	402.58	10.07	-70.70
CC1CCN(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300013760151	1	55	0.0	-63.10	403.39	10.08	-53.02
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CC(C)(CCNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013760153	0	54	0.0	-73.95	410.78	8.27	-65.68
CC(C)(CCNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013760153	1	54	0.0	-74.41	413.32	8.34	-66.07
CCC(CC)(CNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013760154	0	57	0.0	-66.05	421.13	9.32	-56.73
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CC(CNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013760155	0	48	0.0	-76.44	375.12	7.37	-69.07
CC(CNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013760155	1	48	0.0	-77.12	378.47	7.46	-69.66
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CC(CNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013760158	0	58	0.0	-67.76	445.20	10.99	-56.77
CC(CNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013760158	1	58	0.0	-69.58	449.49	10.79	-58.79
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CC1CN(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300013760163	1	55	0.0	-73.39	410.51	10.41	-62.98
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CC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013760166	1	55	0.0	-77.33	407.23	10.17	-67.16
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CCC(CNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013760177	0	51	0.0	-68.84	399.24	8.13	-60.71
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CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013760497	0	49	0.0	-68.48	349.11	6.06	-62.42
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CC[NH+](CC)[C@H](C)CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013760501	0	52	0.0	-69.50	375.39	4.32	-65.18
CC[NH+](CC)[C@H](C)CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013760502	0	57	0.0	-56.99	418.95	8.44	-48.55
CC[NH+](CC)[C@H](C)CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013760503	0	47	0.0	-72.95	356.70	6.86	-66.09
CC[NH+](CC)[C@H](C)CNC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013760504	0	57	0.0	-63.73	420.26	8.65	-55.08
CC[NH+](CC)[C@H](C)CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013760505	0	53	0.0	-74.40	365.18	9.14	-65.26
CC[NH+](CC)[C@H](C)CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013760506	0	55	0.0	-72.98	407.84	7.79	-65.19
CC[NH+](CC)[C@H](C)CNC(=O)NCCCCCCC(=O)[O-]	REAL300013760507	0	52	0.0	-74.04	386.34	7.01	-67.03
CC[NH+](CC)[C@H](C)CNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013760508	0	54	0.0	-54.41	381.59	7.75	-46.66
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CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C1	REAL300013761670	0	51	0.0	-65.50	386.99	9.69	-55.81
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013761671	0	51	0.0	-78.02	384.08	9.16	-68.86
CC1CCN(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)CC1C(=O)[O-]	REAL300013761672	0	51	0.0	-81.74	386.14	9.30	-72.44
C[NH+](C)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013761673	0	52	0.0	-71.20	396.25	6.52	-64.68
C[NH+](C)CC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013761674	0	50	0.0	-74.82	389.46	7.25	-67.57
CCC(CC)(CNC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013761675	0	53	0.0	-71.94	401.82	8.05	-63.89
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013761676	0	50	0.0	-70.68	385.75	7.65	-63.03
CC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013761677	0	57	0.0	-82.11	429.05	8.93	-73.18
C[NH+](C)CC1=CC=C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013761678	0	54	0.0	-71.51	421.19	9.88	-61.63
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013761679	0	48	0.0	-71.92	377.60	7.62	-64.30
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300013761680	0	54	0.0	-77.11	410.74	10.31	-66.80
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C=C1	REAL300013761681	0	50	0.0	-76.67	387.39	7.13	-69.54
C[NH+](C)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013761682	0	51	0.0	-71.68	394.63	8.41	-63.27
CC1CN(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)CCC1C(=O)[O-]	REAL300013761683	0	51	0.0	-74.71	383.30	9.58	-65.13
C[NH+](C)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCC2)C=C1	REAL300013761684	0	48	0.0	-69.87	376.70	7.71	-62.16
C[NH+](C)CC1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300013761685	0	51	0.0	-79.84	401.68	8.35	-71.49
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013761686	0	51	0.0	-78.02	384.08	9.16	-68.86
CC(C)C[C@H](CNC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013761687	0	56	0.0	-78.15	422.66	8.79	-69.36
C[NH+](C)CC1=CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013761688	0	48	0.0	-78.34	387.54	8.58	-69.76
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C1	REAL300013761689	0	52	0.0	-81.94	407.95	7.54	-74.40
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013761690	0	45	0.0	-74.64	361.64	6.93	-67.71
C[NH+](C)CC1=CC=C(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C=C1	REAL300013761691	0	53	0.0	-76.25	409.73	6.01	-70.24
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3=CC=C(C[NH+](C)C)C=C3)C2)C=N1	REAL300013761692	0	58	0.0	-84.69	453.39	10.14	-74.55
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013761693	0	48	0.0	-65.02	370.11	8.83	-56.19
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300013761694	0	48	0.0	-66.44	371.36	8.89	-57.55
C[NH+](C)CC1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300013761695	0	45	0.0	-74.67	361.70	6.93	-67.74
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300013761696	0	45	0.0	-76.15	361.15	6.98	-69.17
C[NH+](C)CC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013761697	0	48	0.0	-79.82	393.94	8.46	-71.36
CCC(CNC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013761698	0	47	0.0	-70.38	370.31	7.26	-63.12
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCCC2CCC(=O)[O-])C=C1	REAL300013761699	0	54	0.0	-87.57	404.01	10.23	-77.34
C[NH+](C)CC1=CC=C(CNC(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300013761700	0	56	0.0	-79.39	442.17	9.49	-69.90
C[NH+](C)CC1=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=C1	REAL300013761701	0	53	0.0	-80.49	420.72	8.71	-71.78
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300013761702	0	47	0.0	-80.76	373.80	8.78	-71.98
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300013761703	0	51	0.0	-82.54	385.50	9.62	-72.92
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C1	REAL300013761704	0	55	0.0	-86.43	417.69	8.75	-77.68
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300013761705	0	51	0.0	-64.71	405.49	8.12	-56.59
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300013761706	0	54	0.0	-82.19	411.08	10.31	-71.88
C[NH+](C)CC1=CC=C(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C=C1	REAL300013761707	0	52	0.0	-86.93	404.02	11.37	-75.56
C[NH+](C)CC1=CC=C(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C=C1	REAL300013761708	0	49	0.0	-70.85	383.18	7.62	-63.23
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300013761709	0	51	0.0	-82.28	386.04	9.42	-72.86
C[NH+](C)CC1=CC=C(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C=C1	REAL300013761710	0	55	0.0	-68.93	433.34	11.45	-57.48
C[NH+](C)CC1=CC=C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300013761711	0	49	0.0	-79.64	380.35	6.43	-73.21
C[NH+](C)CC1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300013761712	0	52	0.0	-77.54	416.61	9.70	-67.84
C[NH+](C)CC1=CC=C(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C=C1	REAL300013761713	0	55	0.0	-94.24	422.25	8.69	-85.55
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)CC1	REAL300013761714	0	55	0.0	-79.83	414.34	9.04	-70.79
C[NH+](C)CC1=CC=C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300013761715	0	46	0.0	-81.07	371.38	7.16	-73.91
C[NH+](C)CC1=CC=C(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C=C1	REAL300013761716	0	57	0.0	-77.67	417.64	9.13	-68.54
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300013761717	0	51	0.0	-72.86	392.14	8.58	-64.28
C[NH+](C)CC1=CC=C(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300013761718	0	54	0.0	-79.01	416.38	8.88	-70.13
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300013761719	0	51	0.0	-71.23	388.43	9.54	-61.69
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C=C1	REAL300013761720	0	52	0.0	-79.49	404.91	8.93	-70.56
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013761721	0	51	0.0	-75.48	396.00	8.15	-67.33
C[NH+](C)CC1=CC=C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C=C1	REAL300013761722	0	51	0.0	-72.93	392.14	8.58	-64.35
C[NH+](C)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300013761723	0	52	0.0	-74.30	401.37	7.00	-67.30
C[NH+](C)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300013761724	0	49	0.0	-70.35	383.37	5.70	-64.65
C[NH+](C)CC1=CC=C(CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C=C1	REAL300013761725	0	60	0.0	-78.26	468.62	10.85	-67.41
C[NH+](C)CC1=CC=C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013761726	0	46	0.0	-75.49	372.79	7.66	-67.83
C[NH+](C)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013761727	0	45	0.0	-67.71	361.44	7.20	-60.51
C[NH+](C)CC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1	REAL300013761728	0	52	0.0	-70.26	399.71	9.69	-60.57
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300013761729	0	48	0.0	-72.88	390.17	8.70	-64.18
C[NH+](C)CC1=CC=C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300013761730	0	49	0.0	-82.36	378.54	8.10	-74.26
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(C[NH+](C)C)C=C2)C1	REAL300013761731	0	52	0.0	-67.80	401.71	7.94	-59.86
C[NH+](C)CC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300013761732	0	45	0.0	-77.88	357.35	7.94	-69.94
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013761733	0	46	0.0	-80.57	372.46	7.67	-72.90
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1	REAL300013761734	0	47	0.0	-72.78	375.98	7.38	-65.40
CC1=CC=C(CCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=C1	REAL300013761766	1	54	0.0	-40.71	412.50	8.93	-31.78
COC1=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1OC(F)F	REAL300013761855	1	50	0.0	-40.06	401.26	5.71	-34.35
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C3OCOC3=C2)CC1	REAL300013761921	1	48	0.0	-45.71	380.71	5.71	-40.00
CCOC1=CC2=C(C=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC(C)C2	REAL300013761995	1	57	0.0	-37.93	440.44	7.14	-30.79
CCC(C)C1=CC=C(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)C)C=C1	REAL300013762061	1	63	0.0	-35.26	460.86	10.98	-24.28
CC(C)CC1=CC=C(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)C)C=C1	REAL300013762127	1	63	0.0	-38.28	462.32	10.56	-27.72
CCCCC1=CC=C(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)C)C=C1	REAL300013762193	1	63	0.0	-38.48	463.31	11.26	-27.22
CC1=NC2=CC=CC=C2N1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013762260	1	51	0.0	-49.71	401.00	7.59	-42.12
CCCCCCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013762327	1	56	0.0	-35.31	423.33	8.67	-26.64
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC(Cl)=C3OCCCOC3=C2)CC1	REAL300013762394	1	51	0.0	-38.77	412.04	6.75	-32.02
COC1=CC=C(C)C=C1C(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013762460	1	52	0.0	-37.86	399.32	7.18	-30.68
O=C([O-])C1=CC=C(CNC(=O)NCCC[NH+]2CCCCC2)C=C1	REAL300013762503	0	48	0.0	-76.84	376.29	7.48	-69.36
O=C([O-])C1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1	REAL300013762504	0	51	0.0	-68.32	373.17	7.56	-60.76
O=C([O-])C1=CC(CNC(=O)NCCC[NH+]2CCCCC2)=CC=C1	REAL300013762505	0	48	0.0	-76.58	376.30	7.46	-69.12
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1	REAL300013762506	0	58	0.0	-73.35	424.79	10.94	-62.41
CC1CC(C(=O)[O-])CN(C(=O)NCCC[NH+]2CCCCC2)C1	REAL300013762507	0	51	0.0	-78.73	373.87	8.43	-70.30
CC1(C(=O)[O-])CCN(C(=O)NCCC[NH+]2CCCCC2)CC1	REAL300013762508	0	51	0.0	-75.23	365.84	8.14	-67.09
CC1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1C(=O)[O-]	REAL300013762509	0	51	0.0	-78.04	368.44	8.29	-69.75
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCCCC2)CCOCC1	REAL300013762510	0	52	0.0	-65.18	379.08	5.57	-59.61
CCC(CC)(CNC(=O)NCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300013762511	0	53	0.0	-63.30	379.42	7.22	-56.08
CC(NC(=O)NCCC[NH+]1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013762512	0	57	0.0	-78.18	415.04	8.44	-69.74
CC(CNC(=O)NCCC[NH+]1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013762513	0	54	0.0	-64.98	403.50	8.89	-56.09
O=C([O-])CCC1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1	REAL300013762514	0	54	0.0	-74.70	393.05	9.31	-65.39
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCCC[NH+]1CCCCC1)C2	REAL300013762515	0	50	0.0	-72.84	370.38	6.16	-66.68
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCCCC2)CCCC1	REAL300013762516	0	51	0.0	-65.15	377.45	7.45	-57.70
CC1CN(C(=O)NCCC[NH+]2CCCCC2)CCC1C(=O)[O-]	REAL300013762517	0	51	0.0	-71.68	365.61	8.57	-63.11
O=C([O-])CC(CNC(=O)NCCC[NH+]1CCCCC1)C1CC1	REAL300013762518	0	51	0.0	-74.62	384.04	7.36	-67.26
CC1(C(=O)[O-])CCN(C(=O)NCCC[NH+]2CCCCC2)CC1	REAL300013762519	0	51	0.0	-75.23	365.84	8.14	-67.09
CC(C)C[C@H](CNC(=O)NCCC[NH+]1CCCCC1)CC(=O)[O-]	REAL300013762520	0	56	0.0	-71.63	405.05	7.76	-63.87
O=C([O-])C1=CC=CC=C1CNC(=O)NCCC[NH+]1CCCCC1	REAL300013762521	0	48	0.0	-70.39	369.90	7.58	-62.81
COCC1(C(=O)[O-])CCN(C(=O)NCCC[NH+]2CCCCC2)C1	REAL300013762522	0	52	0.0	-76.91	390.25	6.55	-70.36
O=C([O-])CN1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1	REAL300013762523	0	53	0.0	-73.45	392.04	5.03	-68.42
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCCC[NH+]3CCCCC3)C2)C=N1	REAL300013762524	0	58	0.0	-81.10	435.69	9.14	-71.96
O=C([O-])C1=CC(CNC(=O)NCCC[NH+]2CCCCC2)=CC=C1	REAL300013762525	0	48	0.0	-76.58	376.30	7.46	-69.12
COC(=O)C1CC2(C1)CN(C(=O)NCCC[NH+]1CCCCC1)CC2C(=O)[O-]	REAL300013762526	0	58	0.0	-63.18	431.97	9.17	-54.01
O=C([O-])CCC1CCCCN1C(=O)NCCC[NH+]1CCCCC1	REAL300013762527	0	54	0.0	-80.28	386.40	9.24	-71.04
O=C([O-])CCCCCCCNC(=O)NCCC[NH+]1CCCCC1	REAL300013762528	0	56	0.0	-76.86	424.53	8.49	-68.37
O=C([O-])CCCCCCNC(=O)NCCC[NH+]1CCCCC1	REAL300013762529	0	53	0.0	-77.53	403.03	7.71	-69.82
CC1(C(=O)[O-])CCCN(C(=O)NCCC[NH+]2CCCCC2)C1	REAL300013762530	0	51	0.0	-61.25	368.35	8.65	-52.60
COCC1(C(=O)[O-])CCCN(C(=O)NCCC[NH+]2CCCCC2)C1	REAL300013762531	0	55	0.0	-83.75	400.04	7.78	-75.97
COCCN(CCC(=O)[O-])C(=O)NCCC[NH+]1CCCCC1	REAL300013762532	0	51	0.0	-59.20	387.85	7.12	-52.08
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CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300013763902	0	55	0.0	-77.28	410.20	7.46	-69.82
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300013763903	0	58	0.0	-75.09	452.80	11.06	-64.03
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC(COC)(C(=O)[O-])CC2)C=C1	REAL300013763904	0	61	0.0	-76.33	444.63	9.93	-66.40
CC[NH+](CC)CC1=CC=C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300013763905	0	52	0.0	-78.69	407.60	8.53	-70.16
CC[NH+](CC)CC1=CC=C(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C=C1	REAL300013763906	0	63	0.0	-68.94	453.33	10.50	-58.44
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300013763907	0	57	0.0	-70.53	422.04	9.61	-60.92
CC[NH+](CC)CC1=CC=C(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300013763908	0	60	0.0	-76.64	446.22	9.90	-66.74
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300013763909	0	57	0.0	-67.88	424.33	10.91	-56.97
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C=C1	REAL300013763910	0	58	0.0	-77.48	434.72	9.95	-67.53
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013763911	0	57	0.0	-73.02	431.94	9.51	-63.51
CC[NH+](CC)CC1=CC=C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C=C1	REAL300013763912	0	57	0.0	-70.46	422.03	9.61	-60.85
CC[NH+](CC)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300013763913	0	58	0.0	-71.82	437.57	8.35	-63.47
CC[NH+](CC)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300013763914	0	55	0.0	-67.84	413.22	6.72	-61.12
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013763915	0	52	0.0	-73.16	402.69	8.68	-64.48
CC[NH+](CC)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013763916	0	51	0.0	-65.19	397.64	8.56	-56.63
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1	REAL300013763917	0	58	0.0	-67.07	428.36	10.66	-56.41
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300013763918	0	55	0.0	-79.95	408.45	9.13	-70.82
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C2)C=C1	REAL300013763919	0	48	0.0	-68.35	378.63	8.51	-59.84
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CC(OC)CC(C(=O)[O-])C2)C=C1	REAL300013763920	0	58	0.0	-65.15	431.65	8.97	-56.18
CC[NH+](CC)CC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300013763921	0	51	0.0	-75.39	393.49	9.30	-66.09
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CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C)CCC(=O)[O-])C=C1	REAL300013763923	0	53	0.0	-70.36	405.82	8.41	-61.95
O=C([O-])C1CCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CC1	REAL300013763924	0	52	0.0	-80.44	405.82	10.57	-69.87
O=C([O-])C1CN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCO1	REAL300013763925	0	50	0.0	-85.84	398.93	9.01	-76.83
O=C([O-])C1CCC(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CC1	REAL300013763926	0	55	0.0	-75.75	426.88	10.26	-65.49
O=C([O-])CCCCNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300013763927	0	51	0.0	-83.09	413.44	8.82	-74.27
O=C([O-])CCNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300013763928	0	45	0.0	-80.25	370.44	7.25	-73.00
O=C([O-])CCCCCNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300013763929	0	54	0.0	-82.12	434.94	9.60	-72.52
CC(C)(CNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013763930	0	51	0.0	-83.26	405.30	8.72	-74.54
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013763931	0	52	0.0	-82.53	413.07	10.14	-72.39
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013763932	0	55	0.0	-68.89	423.03	11.42	-57.47
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CC1	REAL300013763933	0	55	0.0	-82.43	419.47	10.88	-71.55
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300013763934	0	48	0.0	-78.27	391.94	8.04	-70.23
CC1CCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CC1C(=O)[O-]	REAL300013763935	0	55	0.0	-67.52	416.56	10.78	-56.74
CC(C)(CCNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013763936	0	54	0.0	-79.46	424.65	8.92	-70.54
CCC(CC)(CNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013763937	0	57	0.0	-73.53	437.53	9.72	-63.81
CC(CNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013763938	0	48	0.0	-81.33	388.11	7.99	-73.34
CC(C)C(CNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013763939	0	54	0.0	-72.50	421.47	9.33	-63.17
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013763940	0	52	0.0	-78.41	413.91	9.37	-69.04
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCCC1	REAL300013763941	0	55	0.0	-70.40	430.68	10.15	-60.25
CC1CN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCC1C(=O)[O-]	REAL300013763942	0	55	0.0	-79.54	419.24	11.29	-68.25
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCC1	REAL300013763943	0	52	0.0	-71.26	413.60	9.30	-61.96
O=C([O-])CC(CNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1CC1	REAL300013763944	0	55	0.0	-81.53	437.73	10.08	-71.45
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CC1	REAL300013763945	0	55	0.0	-82.43	419.47	10.88	-71.55
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013763946	0	49	0.0	-77.29	397.30	8.65	-68.64
O=C([O-])[C@@H]1CCCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013763947	0	52	0.0	-68.53	406.24	10.55	-57.98
O=C([O-])[C@H]1CCCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013763948	0	52	0.0	-69.22	406.62	10.59	-58.63
O=C([O-])C1CC(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013763949	0	49	0.0	-78.52	397.68	8.65	-69.87
O=C([O-])[C@H]1C[C@H](NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013763950	0	49	0.0	-80.96	396.92	8.65	-72.31
CCC(CNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013763951	0	51	0.0	-71.32	405.93	8.81	-62.51
O=C([O-])CCCCCCNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300013763952	0	57	0.0	-84.65	456.44	10.39	-74.26
CN(CCCC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300013763953	0	51	0.0	-82.57	409.85	10.48	-72.09
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013763954	0	55	0.0	-86.12	421.48	11.34	-74.78
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300013763955	0	55	0.0	-67.07	441.54	9.84	-57.23
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300013763956	0	55	0.0	-70.01	423.41	11.18	-58.83
O=C([O-])C1(O)CCCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013763957	0	53	0.0	-83.06	416.20	8.12	-74.94
O=C([O-])C12CC(NC(=O)NC3CC[NH+](CC4=CC=C(Cl)C=C4)CC3)(C1)C2	REAL300013763958	0	50	0.0	-84.71	407.49	8.88	-75.83
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CC1	REAL300013763959	0	55	0.0	-75.78	426.86	10.25	-65.53
O=C([O-])CC1CCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CC1	REAL300013763960	0	55	0.0	-75.92	424.36	11.26	-64.66
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013763961	0	55	0.0	-79.48	432.10	9.86	-69.62
O=C([O-])C1CCCC(NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013763962	0	55	0.0	-77.39	428.18	10.30	-67.09
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCOC1	REAL300013763963	0	53	0.0	-72.50	419.35	7.43	-65.07
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1CC[NH+](CC3=CC=C(Cl)C=C3)CC1)C2	REAL300013763964	0	50	0.0	-79.54	408.83	9.32	-70.22
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CC1	REAL300013763965	0	49	0.0	-68.18	397.87	9.03	-59.15
CC1(C(=O)[O-])CN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCO1	REAL300013763966	0	53	0.0	-83.97	414.67	9.81	-74.16
O=C([O-])C1CN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013763967	0	46	0.0	-74.83	378.16	8.81	-66.02
O=C([O-])C1CCN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013763968	0	49	0.0	-79.47	393.35	9.67	-69.80
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1CC[NH+](CC3=CC=C(Cl)C=C3)CC1)C2	REAL300013763969	0	50	0.0	-84.81	408.10	9.39	-75.42
CC(CCC(=O)[O-])NC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300013763970	0	51	0.0	-76.11	411.70	9.04	-67.07
COC1=CC=C(OCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013764053	1	50	0.0	-38.56	392.15	5.14	-33.42
O=C([O-])C[NH+]1CCC(NC(=O)NC(CN2CCOCC2)C2=CC=CC=C2)CC1	REAL300013764126	1	58	0.0	-37.24	440.78	6.09	-31.15
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013764161	0	54	0.0	-69.23	398.43	10.45	-58.78
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013764162	0	54	0.0	-71.40	422.59	10.10	-61.30
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013764163	0	52	0.0	-58.79	391.41	9.02	-49.77
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013764164	0	57	0.0	-65.31	419.94	10.11	-55.20
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCCCCC(=O)[O-]	REAL300013764165	0	53	0.0	-68.78	406.33	8.76	-60.02
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013764166	0	54	0.0	-74.19	422.59	10.08	-64.11
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCCC(=O)[O-]	REAL300013764167	0	47	0.0	-64.75	363.33	7.19	-57.56
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013764168	0	56	0.0	-67.25	424.09	9.21	-58.04
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013764169	0	53	0.0	-66.32	394.45	8.31	-58.01
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013764170	0	54	0.0	-64.30	402.62	10.17	-54.13
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013764171	0	57	0.0	-56.72	420.13	11.13	-45.59
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013764172	0	57	0.0	-71.92	412.08	10.77	-61.15
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013764173	0	50	0.0	-62.51	381.09	7.65	-54.86
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013764174	0	57	0.0	-68.79	414.43	10.99	-57.80
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013764175	0	58	0.0	-60.75	421.18	7.81	-52.94
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013764176	0	56	0.0	-63.82	413.79	8.52	-55.30
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013764177	0	59	0.0	-52.46	426.69	9.33	-43.13
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC(C)C(=O)[O-]	REAL300013764178	0	50	0.0	-66.71	381.87	7.95	-58.76
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013764179	0	56	0.0	-62.44	420.62	9.13	-53.31
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013764180	0	63	0.0	-65.39	452.41	10.18	-55.21
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013764181	0	60	0.0	-51.74	446.05	11.17	-40.57
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013764182	0	54	0.0	-61.80	406.70	9.19	-52.61
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013764183	0	60	0.0	-69.68	435.40	11.59	-58.09
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013764184	0	56	0.0	-63.09	412.23	8.40	-54.69
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013764185	0	57	0.0	-60.34	419.51	9.73	-50.61
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013764186	0	57	0.0	-69.27	411.62	11.29	-57.98
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013764187	0	54	0.0	-58.12	401.57	9.00	-49.12
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013764188	0	57	0.0	-62.71	430.57	10.12	-52.59
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013764189	0	57	0.0	-71.92	412.08	10.77	-61.15
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013764190	0	62	0.0	-58.90	452.87	10.25	-48.65
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013764191	0	54	0.0	-66.69	412.46	9.86	-56.83
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013764192	0	58	0.0	-63.14	437.21	9.12	-54.02
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013764193	0	51	0.0	-61.58	386.22	8.22	-53.36
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013764194	0	59	0.0	-66.98	438.32	7.70	-59.28
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013764195	0	54	0.0	-69.25	399.51	10.48	-58.77
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013764196	0	54	0.0	-69.01	396.13	10.17	-58.84
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1CC(C(=O)[O-])C1	REAL300013764197	0	51	0.0	-64.69	386.55	8.22	-56.47
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013764198	0	51	0.0	-63.62	386.38	8.26	-55.36
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013764199	0	54	0.0	-74.19	422.59	10.08	-64.11
CCC(CNC(=O)NCC1=CC=CC=C1C[NH+](CC)CC)C(=O)[O-]	REAL300013764200	0	53	0.0	-54.36	403.83	8.65	-45.71
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013764201	0	60	0.0	-71.35	433.17	11.79	-59.56
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013764202	0	62	0.0	-69.51	467.09	10.77	-58.74
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013764203	0	59	0.0	-69.87	445.59	9.99	-59.88
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(C)CCCC(=O)[O-]	REAL300013764204	0	53	0.0	-63.34	402.46	10.38	-52.96
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013764205	0	57	0.0	-70.07	413.84	11.31	-58.76
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013764206	0	61	0.0	-73.40	444.78	11.10	-62.30
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N(CCOC)CCC(=O)[O-]	REAL300013764207	0	57	0.0	-55.62	434.14	9.73	-45.89
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013764208	0	60	0.0	-70.43	439.38	11.99	-58.44
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013764209	0	58	0.0	-72.14	431.29	12.18	-59.96
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013764210	0	55	0.0	-62.59	411.73	9.21	-53.38
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013764211	0	57	0.0	-53.53	415.97	11.07	-42.46
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013764212	0	55	0.0	-66.32	408.91	7.97	-58.35
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013764213	0	58	0.0	-67.71	441.22	11.03	-56.68
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013764214	0	61	0.0	-73.93	440.20	9.56	-64.37
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013764215	0	52	0.0	-70.36	400.71	8.74	-61.62
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013764216	0	63	0.0	-68.02	446.01	10.78	-57.24
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013764217	0	57	0.0	-65.35	419.43	10.17	-55.18
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013764218	0	60	0.0	-70.17	444.07	10.44	-59.73
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013764219	0	57	0.0	-61.99	413.09	10.82	-51.17
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013764220	0	58	0.0	-72.11	429.62	10.21	-61.90
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013764221	0	57	0.0	-67.40	425.13	9.73	-57.67
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013764222	0	57	0.0	-60.66	417.06	9.87	-50.79
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013764223	0	58	0.0	-58.96	427.17	8.34	-50.62
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013764224	0	55	0.0	-53.05	411.97	7.32	-45.73
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013764225	0	52	0.0	-67.04	402.19	9.23	-57.81
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CC1	REAL300013764226	0	51	0.0	-55.86	386.73	8.59	-47.27
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013764227	0	58	0.0	-59.85	427.72	11.20	-48.65
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013764228	0	55	0.0	-70.01	407.66	9.73	-60.28
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C1	REAL300013764229	0	48	0.0	-58.56	371.74	8.72	-49.84
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013764230	0	58	0.0	-68.33	431.95	9.56	-58.77
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])C1	REAL300013764231	0	51	0.0	-65.58	386.62	9.52	-56.06
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013764232	0	52	0.0	-69.21	401.13	9.25	-59.96
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C)CCC(=O)[O-]	REAL300013764233	0	53	0.0	-63.23	400.85	8.66	-54.57
O=C([O-])C1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300013764234	0	55	0.0	-74.84	411.10	10.65	-64.19
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1	REAL300013764235	0	55	0.0	-77.35	435.50	10.33	-67.02
O=C([O-])C1CN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCO1	REAL300013764236	0	53	0.0	-80.45	404.51	9.17	-71.28
O=C([O-])C1CCC(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300013764237	0	58	0.0	-70.93	432.38	10.40	-60.53
O=C([O-])CCCCNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300013764238	0	54	0.0	-78.06	418.93	8.95	-69.11
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)=CC=C1	REAL300013764239	0	55	0.0	-78.41	435.20	10.26	-68.15
O=C([O-])CCNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300013764240	0	48	0.0	-75.83	375.94	7.37	-68.46
O=C([O-])CCCCCNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300013764241	0	57	0.0	-76.39	440.43	9.73	-66.66
CC(C)(CNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013764242	0	54	0.0	-78.63	411.38	8.83	-69.80
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013764243	0	55	0.0	-81.74	415.73	10.35	-71.39
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013764244	0	58	0.0	-63.53	432.28	11.22	-52.31
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300013764245	0	58	0.0	-76.55	425.66	11.02	-65.53
O=C([O-])CCCNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300013764246	0	51	0.0	-72.74	397.44	8.17	-64.57
CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1C(=O)[O-]	REAL300013764247	0	58	0.0	-80.54	427.64	11.15	-69.39
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCOCC1	REAL300013764248	0	59	0.0	-69.76	437.52	8.32	-61.44
CC(C)(CCNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013764249	0	57	0.0	-73.39	430.72	9.05	-64.34
CCC(CC)(CNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013764250	0	60	0.0	-70.52	443.03	9.85	-60.67
CC(CNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013764251	0	51	0.0	-76.79	393.61	8.11	-68.68
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013764252	0	57	0.0	-69.22	426.96	9.47	-59.75
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013764253	0	55	0.0	-70.43	419.16	9.48	-60.95
O=C([O-])CCC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300013764254	0	61	0.0	-75.89	451.95	12.12	-63.77
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300013764255	0	57	0.0	-75.26	428.95	8.99	-66.27
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCCC1	REAL300013764256	0	58	0.0	-70.20	435.89	10.22	-59.98
CC1CN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCC1C(=O)[O-]	REAL300013764257	0	58	0.0	-73.28	424.81	11.43	-61.85
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCC1	REAL300013764258	0	55	0.0	-67.92	419.12	9.43	-58.49
O=C([O-])CC(CNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1CC1	REAL300013764259	0	58	0.0	-78.48	443.24	10.20	-68.28
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300013764260	0	58	0.0	-76.55	425.66	11.02	-65.53
CC(C)C[C@H](CNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)CC(=O)[O-]	REAL300013764261	0	63	0.0	-76.76	464.24	10.60	-66.16
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300013764262	0	55	0.0	-76.78	429.10	10.45	-66.33
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013764263	0	59	0.0	-80.47	449.46	9.40	-71.07
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013764264	0	52	0.0	-73.21	402.51	8.74	-64.47
O=C([O-])CN1CCC(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300013764265	0	60	0.0	-75.05	450.94	7.81	-67.24
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013764266	0	55	0.0	-63.15	411.68	10.69	-52.46
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013764267	0	55	0.0	-80.95	412.24	10.72	-70.23
O=C([O-])C1CC(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013764268	0	52	0.0	-73.33	402.90	8.74	-64.59
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013764269	0	52	0.0	-74.91	402.69	8.84	-66.07
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)=CC=C1	REAL300013764270	0	55	0.0	-78.41	435.20	10.26	-68.15
CCC(CNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013764271	0	54	0.0	-70.48	416.44	8.83	-61.65
O=C([O-])CCC1CCCCN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300013764272	0	61	0.0	-86.42	445.58	12.09	-74.33
O=C([O-])CCCCCCCNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300013764273	0	63	0.0	-78.26	483.43	11.29	-66.97
O=C([O-])CCCCCCNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300013764274	0	60	0.0	-79.45	461.93	10.51	-68.94
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300013764275	0	54	0.0	-79.60	415.06	10.58	-69.02
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013764276	0	58	0.0	-81.31	427.07	11.48	-69.83
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300013764277	0	58	0.0	-62.69	446.75	9.93	-52.76
O=C([O-])CCC1CCCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013764278	0	61	0.0	-81.12	452.59	12.17	-68.95
O=C([O-])C(=O)N1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300013764279	0	56	0.0	-69.45	424.74	9.47	-59.98
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300013764280	0	58	0.0	-81.11	427.61	11.28	-69.83
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013764281	0	56	0.0	-78.48	421.85	8.28	-70.20
O=C([O-])C12CC(NC(=O)NCC3=CC=C(C[NH+]4CCCCC4)C=C3)(C1)C2	REAL300013764282	0	53	0.0	-79.94	412.95	9.02	-70.92
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300013764283	0	58	0.0	-71.03	433.71	10.45	-60.58
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300013764284	0	61	0.0	-76.99	456.26	10.66	-66.33
O=C([O-])CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300013764285	0	58	0.0	-69.80	429.64	11.34	-58.46
O=C([O-])COC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300013764286	0	59	0.0	-78.29	446.17	10.74	-67.55
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013764287	0	58	0.0	-74.06	437.61	10.00	-64.06
O=C([O-])C1CCCC(NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013764288	0	58	0.0	-71.41	433.40	10.39	-61.02
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCCOC1	REAL300013764289	0	59	0.0	-72.69	442.95	8.86	-63.83
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCOC1	REAL300013764290	0	56	0.0	-68.82	424.58	7.50	-61.32
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300013764291	0	53	0.0	-74.03	414.36	9.51	-64.52
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300013764292	0	52	0.0	-66.10	403.02	9.06	-57.04
O=C([O-])C1CN(C(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CC12CCC2	REAL300013764293	0	59	0.0	-68.63	441.21	11.54	-57.09
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C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013765108	0	51	0.0	-82.48	413.73	4.85	-77.63
CC1CCN(C(=O)NCC2=CC=CC(C(=O)NCC[NH+](C)C)=C2)CC1C(=O)[O-]	REAL300013765109	0	58	0.0	-90.36	438.01	7.59	-82.77
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013765110	0	57	0.0	-83.01	447.02	5.74	-77.27
CCC(CC)(CNC(=O)NCC1=CC=CC(C(=O)NCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013765111	0	60	0.0	-81.01	459.32	6.54	-74.47
CC(CNC(=O)NCC1=CC=CC(C(=O)NCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013765112	0	51	0.0	-86.24	409.90	4.80	-81.44
CC(C)C(CNC(=O)NCC1=CC=CC(C(=O)NCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013765113	0	57	0.0	-79.68	443.26	6.14	-73.54
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013765114	0	55	0.0	-82.24	435.42	6.15	-76.09
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013765115	0	58	0.0	-80.66	452.19	6.90	-73.76
CC1CN(C(=O)NCC2=CC=CC(C(=O)NCC[NH+](C)C)=C2)CCC1C(=O)[O-]	REAL300013765116	0	58	0.0	-83.29	440.81	8.07	-75.22
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013765117	0	55	0.0	-78.72	435.11	6.06	-72.66
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013765118	0	58	0.0	-88.94	459.23	6.84	-82.10
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013765119	0	58	0.0	-86.59	441.65	7.65	-78.94
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013765120	0	55	0.0	-87.59	445.10	7.08	-80.51
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013765121	0	52	0.0	-82.87	418.81	5.43	-77.44
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013765122	0	55	0.0	-74.95	427.67	7.33	-67.62
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013765123	0	55	0.0	-75.83	428.91	7.38	-68.45
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013765124	0	52	0.0	-84.50	419.09	5.46	-79.04
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013765125	0	52	0.0	-84.42	419.03	5.47	-78.95
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013765126	0	55	0.0	-88.00	451.50	6.95	-81.05
CCC(CNC(=O)NCC1=CC=CC(C(=O)NCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013765127	0	54	0.0	-80.00	427.72	5.63	-74.37
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCCCCCCC(=O)[O-])=C1	REAL300013765128	0	60	0.0	-88.57	478.23	7.20	-81.37
CN(CCCC(=O)[O-])C(=O)NCC1=CC(C(=O)NCC[NH+](C)C)=CC=C1	REAL300013765129	0	54	0.0	-90.09	431.36	7.26	-82.83
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300013765130	0	58	0.0	-90.36	443.06	8.12	-82.24
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC(C(=O)NCC[NH+](C)C)=C1	REAL300013765131	0	58	0.0	-74.98	463.05	6.62	-68.36
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC(C(=O)NCC[NH+](C)C)=C1	REAL300013765132	0	58	0.0	-75.01	443.45	7.95	-67.06
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013765133	0	56	0.0	-88.31	437.84	4.90	-83.41
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013765134	0	53	0.0	-89.31	428.94	5.65	-83.66
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013765135	0	58	0.0	-81.90	449.70	7.09	-74.81
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300013765136	0	58	0.0	-79.47	445.93	8.03	-71.44
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013765137	0	58	0.0	-83.88	453.60	6.64	-77.24
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300013765138	0	58	0.0	-81.49	449.69	7.08	-74.41
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300013765139	0	56	0.0	-80.20	440.87	4.19	-76.01
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013765140	0	53	0.0	-83.83	430.35	6.15	-77.68
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013765141	0	52	0.0	-77.83	419.37	5.81	-72.02
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013765142	0	56	0.0	-90.18	436.05	6.58	-83.60
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N2CC(C(=O)[O-])C2)=C1	REAL300013765143	0	49	0.0	-79.34	399.97	5.64	-73.70
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013765144	0	52	0.0	-85.89	414.87	6.44	-79.45
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013765145	0	53	0.0	-88.62	429.63	6.15	-82.47
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC(C(=O)NCC[NH+](C)C)=C1	REAL300013765146	0	54	0.0	-81.29	433.49	5.87	-75.42
CCN1N=C(C)C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C	REAL300013765175	1	51	0.0	-39.06	396.85	5.90	-33.16
CN(CCC1=CC=CC=N1)C(=O)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013765257	1	54	0.0	-39.55	425.51	5.79	-33.76
CNS(=O)(=O)C1=CC=CC(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013765328	1	53	0.0	-44.08	427.25	3.28	-40.80
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=C(Cl)C=C3)CC2)CC1	REAL300013765441	1	49	0.0	-35.56	398.81	8.93	-26.63
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=CC(C(F)(F)F)=C3)CC2)CC1	REAL300013765512	1	52	0.0	-41.75	422.29	9.30	-32.45
N#CC1=CC=C(N2CCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)CC2)N=C1	REAL300013765575	1	54	0.0	-40.24	422.24	6.67	-33.57
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C3OCCCOC3=C2)CC1	REAL300013765670	1	51	0.0	-39.39	395.59	6.18	-33.21
COC1=NC(C)=CC(C)=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013765745	1	51	0.0	-37.89	398.48	4.16	-33.73
CCOC1=CC=CC=C1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013765819	1	52	0.0	-38.15	404.81	7.33	-30.82
N#CCOC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013765893	1	47	0.0	-46.64	383.86	6.28	-40.36
O=C([O-])C[NH+]1CCC(NC(=O)NCCCCCC2=CC=CC=C2)CC1	REAL300013765968	1	54	0.0	-36.82	418.74	9.35	-27.47
CS(=O)(=O)CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013766023	1	41	0.0	-49.04	336.48	0.76	-48.28
COC1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(OC)=C1OC	REAL300013766079	1	57	0.0	-46.82	446.86	6.24	-40.58
C[NH+]1CCN(CC(NC(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300013766114	0	57	0.0	-74.17	427.14	8.91	-65.26
C[NH+]1CCN(CC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2)CC1	REAL300013766115	0	57	0.0	-75.39	451.33	8.64	-66.75
C[NH+]1CCN(CC(NC(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766116	0	55	0.0	-63.48	420.95	7.54	-55.94
C[NH+]1CCN(CC(NC(=O)NC2CCC(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300013766117	0	60	0.0	-61.54	448.22	8.69	-52.85
C[NH+]1CCN(CC(NC(=O)NCCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013766118	0	56	0.0	-75.28	435.52	7.37	-67.91
C[NH+]1CCN(CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2)CC1	REAL300013766119	0	57	0.0	-79.81	451.78	8.68	-71.13
C[NH+]1CCN(CC(NC(=O)NCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013766120	0	50	0.0	-71.99	392.52	5.79	-66.20
C[NH+]1CCN(CC(NC(=O)NCCCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013766121	0	59	0.0	-73.85	457.02	8.15	-65.70
C[NH+]1CCN(CC(NC(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013766122	0	56	0.0	-75.23	427.37	7.25	-67.98
C[NH+]1CCN(CC(NC(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766123	0	57	0.0	-69.13	430.85	8.62	-60.51
CC1CC(C(=O)[O-])CN(C(=O)NC(CN2CC[NH+](C)CC2)C2=CC=CC=C2)C1	REAL300013766124	0	60	0.0	-61.63	446.82	9.55	-52.08
C[NH+]1CCN(CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300013766125	0	60	0.0	-76.17	440.78	9.24	-66.93
C[NH+]1CCN(CC(NC(=O)NCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013766126	0	53	0.0	-69.21	414.02	6.59	-62.62
CC1CCN(C(=O)NC(CN2CC[NH+](C)CC2)C2=CC=CC=C2)CC1C(=O)[O-]	REAL300013766127	0	60	0.0	-61.34	438.33	9.31	-52.03
C[NH+]1CCN(CC(NC(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013766128	0	59	0.0	-69.97	447.30	7.47	-62.50
CCC(CC)(CNC(=O)NC(CN1CC[NH+](C)CC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013766129	0	62	0.0	-59.86	459.61	8.27	-51.59
CC(CNC(=O)NC(CN1CC[NH+](C)CC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013766130	0	53	0.0	-73.98	411.07	6.55	-67.43
CC(C)C(CNC(=O)NC(CN1CC[NH+](C)CC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013766131	0	59	0.0	-69.16	449.80	7.74	-61.42
C[NH+]1CCN(CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766132	0	57	0.0	-70.10	435.37	7.78	-62.32
C[NH+]1CCN(CC(NC(=O)NCC2(C(=O)[O-])CCCC2)C2=CC=CC=C2)CC1	REAL300013766133	0	60	0.0	-58.58	452.03	8.59	-49.99
CC1CN(C(=O)NC(CN2CC[NH+](C)CC2)C2=CC=CC=C2)CCC1C(=O)[O-]	REAL300013766134	0	60	0.0	-64.83	441.22	9.80	-55.03
C[NH+]1CCN(CC(NC(=O)NCC2(C(=O)[O-])CCC2)C2=CC=CC=C2)CC1	REAL300013766135	0	57	0.0	-65.75	435.38	7.80	-57.95
C[NH+]1CCN(CC(NC(=O)NCC(CC(=O)[O-])C2CC2)C2=CC=CC=C2)CC1	REAL300013766136	0	60	0.0	-77.41	459.08	8.52	-68.89
C[NH+]1CCN(CC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300013766137	0	60	0.0	-76.17	440.78	9.24	-66.93
C[NH+]1CCN(CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013766138	0	57	0.0	-61.16	444.95	8.74	-52.42
C[NH+]1CCN(CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766139	0	54	0.0	-67.44	419.03	7.10	-60.34
C[NH+]1CCN(CC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766140	0	57	0.0	-61.71	428.77	9.02	-52.69
C[NH+]1CCN(CC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766141	0	57	0.0	-62.52	428.83	9.02	-53.50
C[NH+]1CCN(CC(NC(=O)NC2CC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766142	0	54	0.0	-71.62	419.56	7.13	-64.49
C[NH+]1CCN(CC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766143	0	54	0.0	-70.01	418.51	7.14	-62.87
C[NH+]1CCN(CC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2)CC1	REAL300013766144	0	57	0.0	-79.81	451.78	8.68	-71.13
CCC(CNC(=O)NC(CN1CC[NH+](C)CC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013766145	0	56	0.0	-60.45	433.02	7.25	-53.20
C[NH+]1CCN(CC(NC(=O)NCCCCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013766146	0	62	0.0	-77.25	478.51	8.93	-68.32
CN(CCCC(=O)[O-])C(=O)NC(CN1CC[NH+](C)CC1)C1=CC=CC=C1	REAL300013766147	0	56	0.0	-70.57	431.65	8.97	-61.60
C[NH+]1CCN(CC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766148	0	60	0.0	-78.30	442.81	9.75	-68.55
COCCN(CCC(=O)[O-])C(=O)NC(CN1CC[NH+](C)CC1)C1=CC=CC=C1	REAL300013766149	0	60	0.0	-61.44	463.33	8.33	-53.11
CC1CCC(C(=O)[O-])CN1C(=O)NC(CN1CC[NH+](C)CC1)C1=CC=CC=C1	REAL300013766150	0	60	0.0	-62.53	444.76	9.60	-52.93
C[NH+]1CCN(CC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766151	0	58	0.0	-75.55	437.53	6.56	-68.99
C[NH+]1CCN(CC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C2=CC=CC=C2)CC1	REAL300013766152	0	55	0.0	-77.40	428.75	7.25	-70.15
C[NH+]1CCN(CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300013766153	0	60	0.0	-61.54	448.21	8.70	-52.84
C[NH+]1CCN(CC(NC(=O)N2CCC(CC(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300013766154	0	60	0.0	-75.36	445.68	9.62	-65.74
C[NH+]1CCN(CC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766155	0	60	0.0	-73.30	454.40	8.37	-64.93
C[NH+]1CCN(CC(NC(=O)NC2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766156	0	60	0.0	-66.06	450.06	8.83	-57.23
C[NH+]1CCN(CC(NC(=O)NCC2(C(=O)[O-])CCOC2)C2=CC=CC=C2)CC1	REAL300013766157	0	58	0.0	-67.00	440.70	5.87	-61.13
C[NH+]1CCN(CC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C2)CC1	REAL300013766158	0	55	0.0	-72.76	430.63	7.88	-64.88
C[NH+]1CCN(CC(NC(=O)NCC2(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300013766159	0	54	0.0	-57.45	419.22	7.48	-49.97
C[NH+]1CCN(CC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766160	0	58	0.0	-78.31	435.86	8.25	-70.06
C[NH+]1CCN(CC(NC(=O)N2CC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766161	0	51	0.0	-65.65	399.82	7.31	-58.34
C[NH+]1CCN(CC(NC(=O)N2CCC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013766162	0	54	0.0	-73.33	414.71	8.10	-65.23
C[NH+]1CCN(CC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C2)CC1	REAL300013766163	0	55	0.0	-75.41	430.26	7.88	-67.53
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COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300013766415	0	57	0.0	-80.19	443.18	6.88	-73.31
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COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)NCCCCC(=O)[O-])=C1	REAL300013766416	0	58	0.0	-78.15	457.86	6.73	-71.42
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COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013766421	0	55	0.0	-73.28	436.36	5.95	-67.33
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013766421	1	55	0.0	-73.28	436.36	5.96	-67.32
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013766422	0	61	0.0	-73.98	469.06	6.83	-67.15
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COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013766424	1	61	0.0	-73.16	472.14	7.11	-66.05
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013766425	0	59	0.0	-73.20	458.05	7.24	-65.96
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013766425	1	59	0.0	-73.31	458.02	7.24	-66.07
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013766426	0	59	0.0	-70.13	457.73	7.16	-62.97
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013766426	1	59	0.0	-70.68	456.84	7.32	-63.36
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COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013766428	0	59	0.0	-62.33	450.21	8.44	-53.89
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COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013766429	0	59	0.0	-65.46	451.45	8.50	-56.96
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COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013766430	0	56	0.0	-74.30	441.83	6.52	-67.78
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013766430	1	56	0.0	-74.42	441.82	6.52	-67.90
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013766431	0	56	0.0	-75.39	441.65	6.56	-68.83
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013766431	1	56	0.0	-74.53	441.27	6.57	-67.96
CCC(CNC(=O)NCC1=CC=CC(OCC[N@H+](C)CCOC)=C1)C(=O)[O-]	REAL300013766432	0	58	0.0	-70.38	455.36	6.62	-63.76
CCC(CNC(=O)NCC1=CC=CC(OCC[N@@H+](C)CCOC)=C1)C(=O)[O-]	REAL300013766432	1	58	0.0	-68.43	450.35	6.73	-61.70
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)N(C)CCCC(=O)[O-])=C1	REAL300013766433	0	58	0.0	-78.62	453.99	8.36	-70.26
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)N(C)CCCC(=O)[O-])=C1	REAL300013766433	1	58	0.0	-78.51	453.98	8.37	-70.14
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013766434	0	57	0.0	-79.87	451.57	6.75	-73.12
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013766434	1	57	0.0	-80.02	451.57	6.75	-73.27
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013766435	0	57	0.0	-75.61	452.98	7.25	-68.36
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013766435	1	57	0.0	-75.63	452.95	7.25	-68.38
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013766436	0	56	0.0	-68.97	442.01	6.89	-62.08
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013766436	1	56	0.0	-69.06	442.00	6.90	-62.16
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])C2)=C1	REAL300013766437	0	53	0.0	-69.64	422.60	6.73	-62.91
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])C2)=C1	REAL300013766437	1	53	0.0	-69.65	422.59	6.73	-62.92
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013766438	0	56	0.0	-76.24	437.49	7.53	-68.71
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013766438	1	56	0.0	-76.29	437.48	7.53	-68.76
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013766439	0	57	0.0	-79.03	452.26	7.26	-71.77
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013766439	1	57	0.0	-79.02	452.23	7.26	-71.76
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)NC(C)CCC(=O)[O-])=C1	REAL300013766440	0	58	0.0	-72.94	456.12	6.97	-65.97
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)NC(C)CCC(=O)[O-])=C1	REAL300013766440	1	58	0.0	-73.10	456.11	6.97	-66.13
CCC(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013766496	1	51	0.0	-40.91	386.75	8.43	-32.48
CCCC(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013766567	1	54	0.0	-40.76	408.24	9.18	-31.58
CCCCC1CCCC1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013766631	1	54	0.0	-35.11	396.29	8.68	-26.43
CC(C)CCC1CCCC1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013766695	1	57	0.0	-35.00	413.85	9.19	-25.81
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(C(=O)[O-])CC3)=C2)CC1	REAL300013766734	0	58	0.0	-76.73	432.25	11.29	-65.44
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCC3=CC=C(C(=O)[O-])C=C3)=C2)CC1	REAL300013766735	0	58	0.0	-77.27	456.35	10.94	-66.33
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCOC(C(=O)[O-])C3)=C2)CC1	REAL300013766736	0	56	0.0	-65.86	425.39	9.78	-56.08
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3CCC(C(=O)[O-])CC3)=C2)CC1	REAL300013766737	0	61	0.0	-67.82	454.55	11.07	-56.75
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCCCCC(=O)[O-])=C2)CC1	REAL300013766738	0	57	0.0	-78.07	440.09	9.62	-68.45
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300013766739	0	58	0.0	-80.40	456.35	10.93	-69.47
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCCC(=O)[O-])=C2)CC1	REAL300013766740	0	51	0.0	-75.17	397.09	8.03	-67.14
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C2)CC1	REAL300013766741	0	60	0.0	-76.43	461.59	10.40	-66.03
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C2)CC1	REAL300013766742	0	57	0.0	-78.43	432.53	9.50	-68.93
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(C)(C(=O)[O-])C3)=C2)CC1	REAL300013766743	0	58	0.0	-83.67	436.59	10.96	-72.71
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CC(C)CC(C(=O)[O-])C3)=C2)CC1	REAL300013766744	0	61	0.0	-61.29	448.76	12.14	-49.15
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)=C2)CC1	REAL300013766745	0	61	0.0	-73.18	446.50	11.64	-61.54
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCCCC(=O)[O-])=C2)CC1	REAL300013766746	0	54	0.0	-72.21	418.59	8.84	-63.37
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(C)C(C(=O)[O-])C3)=C2)CC1	REAL300013766747	0	61	0.0	-81.62	442.82	11.56	-70.06
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C2)CC1	REAL300013766748	0	60	0.0	-72.88	451.29	9.71	-63.17
CCC(CC)(CNC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300013766749	0	63	0.0	-65.50	464.18	10.52	-54.98
CC(CNC(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300013766750	0	54	0.0	-76.86	415.64	8.80	-68.06
CC(C)C(CNC(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300013766751	0	60	0.0	-71.14	454.38	9.98	-61.16
CC1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013766752	0	58	0.0	-69.60	439.68	10.03	-59.57
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCCC3)=C2)CC1	REAL300013766753	0	61	0.0	-65.75	457.05	10.88	-54.87
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(C(=O)[O-])C(C)C3)=C2)CC1	REAL300013766754	0	61	0.0	-75.23	445.66	12.05	-63.18
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCC3)=C2)CC1	REAL300013766755	0	58	0.0	-68.20	439.97	10.04	-58.16
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCC(CC(=O)[O-])C3CC3)=C2)CC1	REAL300013766756	0	61	0.0	-75.77	464.09	10.81	-64.96
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)=C2)CC1	REAL300013766757	0	61	0.0	-73.18	446.50	11.64	-61.54
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])=C2)CC1	REAL300013766758	0	58	0.0	-78.11	449.95	11.05	-67.06
CC1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013766759	0	55	0.0	-73.37	424.05	9.40	-63.97
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013766760	0	58	0.0	-61.24	432.19	11.24	-50.00
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)=C2)CC1	REAL300013766761	0	58	0.0	-80.98	433.08	11.34	-69.64
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC3CC(C(=O)[O-])C3)=C2)CC1	REAL300013766762	0	55	0.0	-71.54	424.06	9.39	-62.15
CC1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2)CC1	REAL300013766763	0	55	0.0	-75.53	423.96	9.46	-66.07
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300013766764	0	58	0.0	-80.40	456.35	10.93	-69.47
CCC(CNC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300013766765	0	57	0.0	-65.78	437.59	9.50	-56.28
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCCCCCCC(=O)[O-])=C2)CC1	REAL300013766766	0	63	0.0	-79.73	483.08	11.18	-68.55
CC1CC[NH+](CC2=CC=CC(CNC(=O)N(C)CCCC(=O)[O-])=C2)CC1	REAL300013766767	0	57	0.0	-76.50	436.22	11.23	-65.27
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)=C2)CC1	REAL300013766768	0	61	0.0	-80.23	447.91	12.09	-68.14
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1	REAL300013766769	0	61	0.0	-62.00	467.90	10.59	-51.41
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CC(C(=O)[O-])CCC3C)=C2)CC1	REAL300013766770	0	61	0.0	-61.58	448.30	11.93	-49.65
CC1CC[NH+](CC2=CC=CC(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)=C2)CC1	REAL300013766771	0	59	0.0	-76.76	442.69	8.89	-67.87
CC1CC[NH+](CC2=CC=CC(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)=C2)CC1	REAL300013766772	0	56	0.0	-78.95	433.80	9.62	-69.33
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C[NH+]1CCN(CC2=CC=CC(CNC(=O)N3CCC(C)(C(=O)[O-])C3)=C2)CC1	REAL300013767088	0	57	0.0	-81.32	432.79	7.90	-73.42
CN1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(C)(C(=O)[O-])C3)=C2)CC1	REAL300013767088	1	57	0.0	-82.13	432.27	7.78	-74.35
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC(CN3CC[NH+](C)CC3)=C2)C1	REAL300013767089	0	60	0.0	-64.08	450.35	8.86	-55.22
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC(C[NH+]3CCN(C)CC3)=C2)C1	REAL300013767089	1	60	0.0	-63.70	444.44	8.98	-54.72
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)=C2)CC1	REAL300013767090	0	60	0.0	-74.99	442.10	8.57	-66.42
CN1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)=C2)CC1	REAL300013767090	1	60	0.0	-73.59	442.19	8.47	-65.12
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCCCC(=O)[O-])=C2)CC1	REAL300013767091	0	53	0.0	-70.60	414.80	5.78	-64.82
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCCCC(=O)[O-])=C2)CC1	REAL300013767091	1	53	0.0	-72.14	414.25	5.66	-66.48
CC1CCN(C(=O)NCC2=CC=CC(CN3CC[NH+](C)CC3)=C2)CC1C(=O)[O-]	REAL300013767092	0	60	0.0	-65.30	439.06	8.50	-56.80
CC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCN(C)CC3)=C2)CC1C(=O)[O-]	REAL300013767092	1	60	0.0	-63.73	438.53	8.38	-55.35
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C2)CC1	REAL300013767093	0	59	0.0	-71.43	448.08	6.67	-64.76
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C2)CC1	REAL300013767093	1	59	0.0	-72.91	447.53	6.55	-66.36
CCC(CC)(CNC(=O)NCC1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300013767094	0	62	0.0	-64.82	455.69	7.63	-57.19
CCC(CC)(CNC(=O)NCC1=CC=CC(C[NH+]2CCN(C)CC2)=C1)C(=O)[O-]	REAL300013767094	1	62	0.0	-64.35	455.14	7.51	-56.84
CC(CNC(=O)NCC1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300013767095	0	53	0.0	-73.48	410.97	5.73	-67.75
CC(CNC(=O)NCC1=CC=CC(C[NH+]2CCN(C)CC2)=C1)C(=O)[O-]	REAL300013767095	1	53	0.0	-76.00	410.42	5.60	-70.40
CC(C)C(CNC(=O)NCC1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300013767096	0	59	0.0	-67.61	450.58	6.93	-60.68
CC(C)C(CNC(=O)NCC1=CC=CC(C[NH+]2CCN(C)CC2)=C1)C(=O)[O-]	REAL300013767096	1	59	0.0	-69.79	443.78	6.95	-62.84
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013767097	0	57	0.0	-72.29	436.49	7.07	-65.22
CN1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013767097	1	57	0.0	-72.24	435.95	6.95	-65.29
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCCC3)=C2)CC1	REAL300013767098	0	60	0.0	-70.57	453.25	7.83	-62.74
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCCC3)=C2)CC1	REAL300013767098	1	60	0.0	-70.91	452.72	7.72	-63.19
CC1CN(C(=O)NCC2=CC=CC(CN3CC[NH+](C)CC3)=C2)CCC1C(=O)[O-]	REAL300013767099	0	60	0.0	-73.90	441.87	8.99	-64.91
CC1CN(C(=O)NCC2=CC=CC(C[NH+]3CCN(C)CC3)=C2)CCC1C(=O)[O-]	REAL300013767099	1	60	0.0	-74.52	441.34	8.87	-65.65
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCC3)=C2)CC1	REAL300013767100	0	57	0.0	-68.13	436.18	6.99	-61.14
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCC3)=C2)CC1	REAL300013767100	1	57	0.0	-68.35	435.65	6.87	-61.48
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCC(CC(=O)[O-])C3CC3)=C2)CC1	REAL300013767101	0	60	0.0	-78.15	460.31	7.76	-70.39
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCC(CC(=O)[O-])C3CC3)=C2)CC1	REAL300013767101	1	60	0.0	-75.52	459.77	7.65	-67.87
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)=C2)CC1	REAL300013767102	0	60	0.0	-74.99	442.10	8.57	-66.42
CN1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)=C2)CC1	REAL300013767102	1	60	0.0	-73.59	442.19	8.47	-65.12
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])=C2)CC1	REAL300013767103	0	57	0.0	-75.56	446.18	7.99	-67.57
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])=C2)CC1	REAL300013767103	1	57	0.0	-78.15	445.65	7.87	-70.28
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013767104	0	54	0.0	-73.00	419.37	6.18	-66.82
CN1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013767104	1	54	0.0	-71.43	419.70	6.22	-65.21
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013767105	0	57	0.0	-65.54	428.74	8.25	-57.29
CN1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013767105	1	57	0.0	-61.06	428.21	8.12	-52.94
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)=C2)CC1	REAL300013767106	0	57	0.0	-64.79	429.97	8.31	-56.48
CN1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)=C2)CC1	REAL300013767106	1	57	0.0	-79.23	428.76	8.16	-71.07
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NC3CC(C(=O)[O-])C3)=C2)CC1	REAL300013767107	0	54	0.0	-74.41	420.15	6.39	-68.02
CN1CC[NH+](CC2=CC=CC(CNC(=O)NC3CC(C(=O)[O-])C3)=C2)CC1	REAL300013767107	1	54	0.0	-73.54	419.71	6.23	-67.31
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2)CC1	REAL300013767108	0	54	0.0	-71.67	420.10	6.39	-65.28
CN1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2)CC1	REAL300013767108	1	54	0.0	-74.72	419.64	6.27	-68.45
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300013767109	0	57	0.0	-78.66	452.56	7.88	-70.78
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300013767109	1	57	0.0	-80.05	452.03	7.76	-72.29
CCC(CNC(=O)NCC1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300013767110	0	56	0.0	-64.98	428.78	6.55	-58.43
CCC(CNC(=O)NCC1=CC=CC(C[NH+]2CCN(C)CC2)=C1)C(=O)[O-]	REAL300013767110	1	56	0.0	-66.96	433.25	6.33	-60.63
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCCCCCCC(=O)[O-])=C2)CC1	REAL300013767111	0	62	0.0	-76.42	479.29	8.12	-68.30
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCCCCCCC(=O)[O-])=C2)CC1	REAL300013767111	1	62	0.0	-78.95	478.74	8.01	-70.94
CN(CCCC(=O)[O-])C(=O)NCC1=CC(CN2CC[NH+](C)CC2)=CC=C1	REAL300013767112	0	56	0.0	-73.54	432.43	8.18	-65.36
CN(CCCC(=O)[O-])C(=O)NCC1=CC(C[NH+]2CCN(C)CC2)=CC=C1	REAL300013767112	1	56	0.0	-76.23	431.88	8.07	-68.16
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)=C2)CC1	REAL300013767113	0	60	0.0	-79.17	444.11	9.02	-70.15
CN1CC[NH+](CC2=CC=CC(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)=C2)CC1	REAL300013767113	1	60	0.0	-80.51	443.60	8.92	-71.59
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300013767114	0	60	0.0	-66.17	464.11	7.54	-58.63
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCN(C)CC2)=C1	REAL300013767114	1	60	0.0	-63.49	463.57	7.43	-56.06
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300013767115	0	60	0.0	-64.67	445.91	8.89	-55.78
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC(C[NH+]2CCN(C)CC2)=C1	REAL300013767115	1	60	0.0	-63.82	444.17	8.72	-55.10
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)=C2)CC1	REAL300013767116	0	58	0.0	-76.96	438.83	5.82	-71.14
CN1CC[NH+](CC2=CC=CC(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)=C2)CC1	REAL300013767116	1	58	0.0	-77.07	438.37	5.72	-71.35
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)=C2)CC1	REAL300013767117	0	55	0.0	-78.24	430.00	6.58	-71.66
CN1CC[NH+](CC2=CC=CC(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)=C2)CC1	REAL300013767117	1	55	0.0	-79.26	429.48	6.45	-72.81
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=C2)CC1	REAL300013767118	0	60	0.0	-71.33	449.87	7.84	-63.49
CN1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=C2)CC1	REAL300013767118	1	60	0.0	-68.15	450.23	7.90	-60.25
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N3CCC(CC(=O)[O-])CC3)=C2)CC1	REAL300013767119	0	60	0.0	-67.00	446.99	8.95	-58.05
CN1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(CC(=O)[O-])CC3)=C2)CC1	REAL300013767119	1	60	0.0	-76.14	446.48	8.83	-67.31
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013767120	0	60	0.0	-73.13	455.19	7.58	-65.55
CN1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013767120	1	60	0.0	-72.56	454.66	7.45	-65.11
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NC3CCCC(C(=O)[O-])C3)=C2)CC1	REAL300013767121	0	60	0.0	-72.98	454.66	7.56	-65.42
CN1CC[NH+](CC2=CC=CC(CNC(=O)NC3CCCC(C(=O)[O-])C3)=C2)CC1	REAL300013767121	1	60	0.0	-74.56	454.12	7.45	-67.11
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCOC3)=C2)CC1	REAL300013767122	0	58	0.0	-65.86	441.94	5.11	-60.75
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCOC3)=C2)CC1	REAL300013767122	1	58	0.0	-65.47	441.41	5.00	-60.47
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2)CC1	REAL300013767123	0	55	0.0	-73.67	431.41	7.07	-66.60
CN1CC[NH+](CC2=CC=CC(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2)CC1	REAL300013767123	1	55	0.0	-74.76	430.88	6.96	-67.80
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CC3)=C2)CC1	REAL300013767124	0	54	0.0	-67.24	420.44	6.72	-60.52
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CC3)=C2)CC1	REAL300013767124	1	54	0.0	-66.95	419.91	6.61	-60.34
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)=C2)CC1	REAL300013767125	0	58	0.0	-79.20	437.16	7.51	-71.69
CN1CC[NH+](CC2=CC=CC(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)=C2)CC1	REAL300013767125	1	58	0.0	-80.41	436.58	7.39	-73.02
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N3CC(C(=O)[O-])C3)=C2)CC1	REAL300013767126	0	51	0.0	-69.19	401.04	6.56	-62.63
CN1CC[NH+](CC2=CC=CC(CNC(=O)N3CC(C(=O)[O-])C3)=C2)CC1	REAL300013767126	1	51	0.0	-68.41	400.51	6.44	-61.97
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N3CCC(C(=O)[O-])C3)=C2)CC1	REAL300013767127	0	54	0.0	-72.78	415.92	7.36	-65.42
CN1CC[NH+](CC2=CC=CC(CNC(=O)N3CCC(C(=O)[O-])C3)=C2)CC1	REAL300013767127	1	54	0.0	-75.60	415.39	7.24	-68.36
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2)CC1	REAL300013767128	0	55	0.0	-78.28	431.05	7.09	-71.19
CN1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2)CC1	REAL300013767128	1	55	0.0	-78.25	430.51	6.97	-71.28
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300013767129	0	56	0.0	-70.95	434.55	6.80	-64.15
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC(C[NH+]2CCN(C)CC2)=C1	REAL300013767129	1	56	0.0	-72.10	434.01	6.68	-65.42
CCCCCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013767162	1	57	0.0	-36.33	437.72	10.63	-25.70
O=C([O-])C[NH+]1CCC(NC(=O)NC2COC3=CC=C(Cl)C=C32)CC1	REAL300013767258	1	44	0.0	-35.68	363.64	6.00	-29.68
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=NC=C(Cl)C=C2Cl)CC1	REAL300013767331	1	45	0.0	-36.72	393.38	4.38	-32.34
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CCOCC1	REAL300013767378	1	49	0.0	-37.26	364.01	5.05	-32.21
CCC(=O)N1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013767452	1	49	0.0	-44.70	377.19	4.82	-39.88
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(C(=O)C3CCCC3)C2)CC1	REAL300013767520	1	56	0.0	-44.31	416.05	6.49	-37.82
O=C([O-])CCNC(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300013767564	1	45	0.0	-80.42	375.01	7.35	-73.07
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300013767565	1	48	0.0	-78.45	396.51	8.15	-70.30
CC(CNC(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1)C(=O)[O-]	REAL300013767566	1	48	0.0	-81.53	392.68	8.09	-73.44
O=C([O-])C1CN(C(=O)NC2CC[NH+](CC3=CC=C(Br)C=C3)CC2)C1	REAL300013767567	1	46	0.0	-75.03	382.72	8.92	-66.11
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC3=NC=CN3C=C2)CC1	REAL300013767596	1	45	0.0	-42.51	359.63	6.83	-35.68
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=NC=C2)CC1	REAL300013767644	1	44	0.0	-44.13	349.13	5.24	-38.89
CC1=C(C)SC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013767696	1	47	0.0	-43.61	379.74	5.44	-38.17
O=C([O-])C1CCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)CC1	REAL300013767735	1	53	0.0	-73.25	375.50	7.85	-65.40
O=C([O-])C1=CC=C(CNC(=O)NC2CCCCC2[NH+]2CCOCC2)C=C1	REAL300013767736	1	53	0.0	-75.58	398.80	6.82	-68.76
O=C([O-])C1CN(C(=O)NC2CCCCC2[NH+]2CCOCC2)CCO1	REAL300013767737	1	51	0.0	-78.01	366.73	5.56	-72.45
O=C(NC1CCC(C(=O)[O-])CC1)NC1CCCCC1[NH+]1CCOCC1	REAL300013767738	1	56	0.0	-62.48	395.02	7.48	-55.00
O=C([O-])CCCCNC(=O)NC1CCCCC1[NH+]1CCOCC1	REAL300013767739	1	52	0.0	-74.13	381.89	6.09	-68.04
O=C([O-])C1=CC(CNC(=O)NC2CCCCC2[NH+]2CCOCC2)=CC=C1	REAL300013767740	1	53	0.0	-71.27	398.15	7.40	-63.87
O=C([O-])CCCCCNC(=O)NC1CCCCC1[NH+]1CCOCC1	REAL300013767741	1	55	0.0	-72.93	403.39	6.87	-66.06
CC(C)(CNC(=O)NC1CCCCC1[NH+]1CCOCC1)C(=O)[O-]	REAL300013767742	1	52	0.0	-73.86	373.75	5.99	-67.87
CC1(C(=O)[O-])CCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767743	1	53	0.0	-72.06	378.70	7.35	-64.71
CC1CC(C(=O)[O-])CN(C(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767744	1	56	0.0	-55.18	396.31	8.38	-46.80
CC1(C(=O)[O-])CCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)CC1	REAL300013767745	1	56	0.0	-67.65	387.48	8.01	-59.64
O=C([O-])CCCNC(=O)NC1CCCCC1[NH+]1CCOCC1	REAL300013767746	1	49	0.0	-68.06	360.39	5.31	-62.75
CC1CCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)CC1C(=O)[O-]	REAL300013767747	1	56	0.0	-57.24	393.37	7.64	-49.60
O=C([O-])C1(CNC(=O)NC2CCCCC2[NH+]2CCOCC2)CCOCC1	REAL300013767748	1	57	0.0	-55.76	400.81	4.63	-51.13
CC(C)(CCNC(=O)NC1CCCCC1[NH+]1CCOCC1)C(=O)[O-]	REAL300013767749	1	55	0.0	-69.22	393.09	6.18	-63.04
CCC(CC)(CNC(=O)NC1CCCCC1[NH+]1CCOCC1)C(=O)[O-]	REAL300013767750	1	58	0.0	-57.29	405.98	6.99	-50.30
CC(CNC(=O)NC1CCCCC1[NH+]1CCOCC1)C(=O)[O-]	REAL300013767751	1	49	0.0	-72.25	357.44	5.27	-66.98
CC(C)C(CNC(=O)NC1CCCCC1[NH+]1CCOCC1)C(=O)[O-]	REAL300013767752	1	55	0.0	-62.73	389.92	6.59	-56.14
CC(NC(=O)NC1CCCCC1[NH+]1CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013767753	1	62	0.0	-79.50	437.10	7.77	-71.73
CC(CNC(=O)NC1CCCCC1[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013767754	1	59	0.0	-61.35	425.98	8.24	-53.11
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767755	1	53	0.0	-68.81	381.76	6.57	-62.24
O=C([O-])CCC1CCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)CC1	REAL300013767756	1	59	0.0	-73.88	414.74	9.20	-64.68
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CCCCC1[NH+]1CCOCC1)C2	REAL300013767757	1	55	0.0	-67.30	392.38	5.95	-61.35
O=C([O-])C1(CNC(=O)NC2CCCCC2[NH+]2CCOCC2)CCCC1	REAL300013767758	1	56	0.0	-55.50	399.50	6.76	-48.74
CC1CN(C(=O)NC2CCCCC2[NH+]2CCOCC2)CCC1C(=O)[O-]	REAL300013767759	1	56	0.0	-71.50	390.31	7.62	-63.88
O=C([O-])C1(CNC(=O)NC2CCCCC2[NH+]2CCOCC2)CCC1	REAL300013767760	1	53	0.0	-54.46	380.59	6.67	-47.79
O=C([O-])CC(CNC(=O)NC1CCCCC1[NH+]1CCOCC1)C1CC1	REAL300013767761	1	56	0.0	-74.25	405.89	7.30	-66.95
CC1(C(=O)[O-])CCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)CC1	REAL300013767762	1	56	0.0	-67.65	387.48	8.01	-59.64
CC(C)C[C@H](CNC(=O)NC1CCCCC1[NH+]1CCOCC1)CC(=O)[O-]	REAL300013767763	1	61	0.0	-70.69	426.49	7.03	-63.66
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CCCCC1[NH+]1CCOCC1	REAL300013767764	1	53	0.0	-60.50	391.76	6.86	-53.64
COCC1(C(=O)[O-])CCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767765	1	57	0.0	-75.66	410.80	7.19	-68.47
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767766	1	50	0.0	-69.82	365.50	5.86	-63.96
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCCC2N2CCOCC2)CC1	REAL300013767767	1	58	0.0	-36.07	416.23	4.13	-31.94
O=C([O-])[C@@H]1CCCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767768	1	53	0.0	-54.90	375.73	7.20	-47.70
O=C([O-])[C@H]1CCCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767769	1	53	0.0	-77.05	374.63	7.76	-69.29
O=C([O-])C1CC(NC(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767770	1	50	0.0	-72.11	365.38	5.91	-66.20
O=C([O-])[C@H]1C[C@H](NC(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767771	1	50	0.0	-71.99	365.37	5.91	-66.08
O=C([O-])C1=CC(CNC(=O)NC2CCCCC2[NH+]2CCOCC2)=CC=C1	REAL300013767772	1	53	0.0	-71.27	398.15	7.40	-63.87
CCC(CNC(=O)NC1CCCCC1[NH+]1CCOCC1)C(=O)[O-]	REAL300013767773	1	52	0.0	-55.40	374.38	6.08	-49.32
O=C([O-])CCC1CCCCN1C(=O)NC1CCCCC1[NH+]1CCOCC1	REAL300013767774	1	59	0.0	-79.95	409.03	8.59	-71.36
O=C([O-])CCCCCCCNC(=O)NC1CCCCC1[NH+]1CCOCC1	REAL300013767775	1	61	0.0	-75.33	446.38	8.44	-66.89
O=C([O-])CCCCCCNC(=O)NC1CCCCC1[NH+]1CCOCC1	REAL300013767776	1	58	0.0	-76.22	424.89	7.65	-68.57
CN(CCCC(=O)[O-])C(=O)NC1CCCCC1[NH+]1CCOCC1	REAL300013767777	1	52	0.0	-70.22	378.02	7.69	-62.53
CC1(C(=O)[O-])CCCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767778	1	56	0.0	-78.32	389.18	8.49	-69.83
COCC1(C(=O)[O-])CCCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767779	1	60	0.0	-56.39	421.85	7.73	-48.66
COCCN(CCC(=O)[O-])C(=O)NC1CCCCC1[NH+]1CCOCC1	REAL300013767780	1	56	0.0	-55.77	409.70	7.04	-48.73
O=C([O-])CCC1CCCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767781	1	59	0.0	-79.00	414.61	8.50	-70.50
O=C([O-])C1CN(C(=O)NC2CCCCC2[NH+]2CCOCC2)CC2=CC=CC=C21	REAL300013767782	1	57	0.0	-71.22	408.34	9.97	-61.25
O=C([O-])C(=O)N1CCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)CC1	REAL300013767783	1	54	0.0	-66.38	387.34	6.54	-59.84
CC1CCC(C(=O)[O-])CN1C(=O)NC1CCCCC1[NH+]1CCOCC1	REAL300013767784	1	56	0.0	-53.44	391.32	7.72	-45.72
O=C([O-])C1(O)CCCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767785	1	54	0.0	-73.36	384.98	4.72	-68.64
O=C([O-])C1CC(NC(=O)NC2CCCCC2[NH+]2CCOCC2)C2=CC=CC=C21	REAL300013767786	1	57	0.0	-72.46	421.12	8.02	-64.44
O=C([O-])CN1CCCCC(NC(=O)NC2CCCCC2[NH+]2CCOCC2)C1=O	REAL300013767787	1	60	0.0	-89.48	427.13	7.03	-82.45
COCC1(C(=O)[O-])CCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)CC1	REAL300013767788	1	60	0.0	-71.30	419.66	7.19	-64.11
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O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2CCCCC2[NH+]2CCOCC2)CC1	REAL300013767791	1	56	0.0	-62.11	396.99	6.92	-55.19
O=C([O-])[C@H]1CC[C@H](CNC(=O)NC2CCCCC2[NH+]2CCOCC2)CC1	REAL300013767792	1	59	0.0	-75.61	420.53	7.81	-67.80
O=C([O-])CC1CCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)CC1	REAL300013767793	1	56	0.0	-65.74	392.43	8.42	-57.32
O=C([O-])COC1CCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)CC1	REAL300013767794	1	57	0.0	-76.59	409.09	7.88	-68.71
O=C(NC1CCCCC1[NH+]1CCOCC1)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013767795	1	56	0.0	-71.83	400.77	7.08	-64.75
O=C(NC1CCCC(C(=O)[O-])C1)NC1CCCCC1[NH+]1CCOCC1	REAL300013767796	1	56	0.0	-68.66	395.82	7.50	-61.16
O=C([O-])C1(CNC(=O)NC2CCCCC2[NH+]2CCOCC2)CCCOC1	REAL300013767797	1	57	0.0	-66.84	405.58	5.93	-60.91
O=C([O-])C1(CNC(=O)NC2CCCCC2[NH+]2CCOCC2)CCOC1	REAL300013767798	1	54	0.0	-61.61	387.53	3.99	-57.62
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1CCCCC1[NH+]1CCOCC1)C2	REAL300013767799	1	51	0.0	-66.88	377.30	6.59	-60.29
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O=C([O-])C1(C(F)(F)F)CCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767802	1	53	0.0	-64.45	393.71	7.69	-56.76
CC1(C(=O)[O-])CN(C(=O)NC2CCCCC2[NH+]2CCOCC2)CCO1	REAL300013767803	1	54	0.0	-77.34	382.65	7.01	-70.33
O=C([O-])C1CN(C(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767804	1	47	0.0	-62.70	346.54	5.45	-57.25
COC1CC(C(=O)[O-])CN(C(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767805	1	57	0.0	-58.87	408.19	6.79	-52.08
O=C([O-])C1CCN(C(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013767806	1	50	0.0	-71.34	361.16	6.86	-64.48
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1CCCCC1[NH+]1CCOCC1)C2	REAL300013767807	1	51	0.0	-76.88	376.91	6.01	-70.87
CC(CCC(=O)[O-])NC(=O)NC1CCCCC1[NH+]1CCOCC1	REAL300013767808	1	52	0.0	-67.82	380.15	6.31	-61.51
CC1=CC=C2OCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=C1	REAL300013767837	1	47	0.0	-36.23	368.32	6.15	-30.08
CC(C)C1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013767897	1	54	0.0	-39.19	386.57	8.06	-31.13
CCNS(=O)(=O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013767964	1	53	0.0	-45.77	430.79	3.30	-42.47
COC1=CC(OCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(OC)=C1	REAL300013768031	1	54	0.0	-39.61	422.03	4.50	-35.11
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CSC(C3=CC=CO3)=N2)CC1	REAL300013768101	1	45	0.0	-40.03	380.51	5.08	-34.95
COC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013768177	1	49	0.0	-40.88	399.05	6.64	-34.24
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CN(CC(F)(F)F)N=C2)CC1	REAL300013768251	1	45	0.0	-41.85	375.38	5.43	-36.42
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(F)C=N2)CC1	REAL300013768332	1	41	0.0	-37.12	334.52	4.49	-32.63
CC(C)C1=CSC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013768385	1	47	0.0	-36.87	379.15	5.27	-31.60
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3=NNC=C3C2)CC1	REAL300013768472	1	46	0.0	-40.20	353.62	4.49	-35.71
CC(C)N1C=C2CCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)CC2=N1	REAL300013768540	1	55	0.0	-41.42	416.40	7.16	-34.26
CC(C)(C)C1CCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013768613	1	60	0.0	-35.17	417.00	8.42	-26.75
COC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=C1	REAL300013768737	1	49	0.0	-36.96	379.76	6.37	-30.59
COC(=O)C(C)(C)C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013768808	1	57	0.0	-41.75	430.74	9.11	-32.64
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC(C3CC3)=CS2)CC1	REAL300013768871	1	45	0.0	-37.21	368.80	5.47	-31.74
O=C([O-])C[NH+]1CCC(NC(=O)NC2CC3(CCCC3)OC3=CC=CC=C32)CC1	REAL300013768942	1	57	0.0	-36.99	419.77	8.41	-28.58
CCC1(CC)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1OC	REAL300013769007	1	55	0.0	-35.00	394.14	6.69	-28.31
CON(C)C(=O)[C@H](CCSC)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013769082	1	53	0.0	-44.62	425.67	6.47	-38.15
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300013769154	1	55	0.0	-43.38	428.47	10.43	-32.95
O=C([O-])C1CCN(C(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)CC1	REAL300013769192	1	54	0.0	-77.71	416.70	8.50	-69.21
O=C([O-])C1CN(C(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)CCO1	REAL300013769193	1	52	0.0	-68.14	409.82	6.98	-61.16
O=C([O-])CCCCNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013769194	1	53	0.0	-82.18	424.51	6.82	-75.36
O=C([O-])CCNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013769195	1	47	0.0	-78.42	381.51	5.24	-73.18
O=C([O-])CCCCCNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013769196	1	56	0.0	-81.23	446.01	7.60	-73.63
CC(C)(CNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013769197	1	53	0.0	-81.91	416.95	6.70	-75.21
CC1(C(=O)[O-])CCN(C(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013769198	1	54	0.0	-81.51	423.87	8.09	-73.42
O=C([O-])CCCNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013769199	1	50	0.0	-76.64	403.01	6.04	-70.60
CC(C)(CCNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013769200	1	56	0.0	-77.65	436.30	6.92	-70.73
CC(CNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013769201	1	50	0.0	-79.70	399.18	5.98	-73.72
CC(C)C(CNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013769202	1	56	0.0	-68.06	432.54	7.33	-60.73
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013769203	1	54	0.0	-72.90	423.93	7.24	-65.66
O=C([O-])C1(CNC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)CCC1	REAL300013769204	1	54	0.0	-67.12	424.40	7.24	-59.88
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013769205	1	51	0.0	-77.10	408.49	6.60	-70.50
O=C([O-])[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013769206	1	54	0.0	-64.43	416.96	8.49	-55.94
O=C([O-])[C@H]1CCCN(C(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013769207	1	54	0.0	-84.50	417.51	8.53	-75.97
O=C([O-])C1CC(NC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013769208	1	51	0.0	-77.34	408.10	6.60	-70.74
O=C([O-])[C@H]1C[C@H](NC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013769209	1	51	0.0	-78.54	408.38	6.66	-71.88
CCC(CNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013769210	1	53	0.0	-69.92	422.01	6.70	-63.22
CN(CCCC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013769211	1	53	0.0	-81.22	420.64	8.43	-72.79
O=C([O-])C12CC(NC(=O)NCC[NH+]3CCN(C4=CC=CC(Cl)=C4)CC3)(C1)C2	REAL300013769212	1	52	0.0	-84.47	418.23	6.82	-77.65
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC[NH+]1CCN(C3=CC=CC(Cl)=C3)CC1)C2	REAL300013769213	1	52	0.0	-76.68	419.63	7.33	-69.35
O=C([O-])C1(CNC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)CC1	REAL300013769214	1	51	0.0	-64.95	408.30	6.87	-58.08
O=C([O-])C1CN(C(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013769215	1	48	0.0	-72.30	389.04	6.90	-65.40
O=C([O-])C1CCN(C(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013769216	1	51	0.0	-80.51	404.14	7.62	-72.89
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC[NH+]1CCN(C3=CC=CC(Cl)=C3)CC1)C2	REAL300013769217	1	52	0.0	-84.47	418.75	7.29	-77.18
CC(CCC(=O)[O-])NC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013769218	1	53	0.0	-74.16	422.77	7.05	-67.11
CC1=CC=CC(C)=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013769239	1	48	0.0	-35.27	367.37	7.27	-28.00
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2Br)CC1	REAL300013769308	1	42	0.0	-35.61	351.41	6.87	-28.74
CC(C)(C)SCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013769370	1	48	0.0	-36.96	373.91	6.43	-30.53
O=C([O-])C[NH+]1CCC(NC(=O)NCCS(=O)(=O)C2=CC=C(F)C=C2)CC1	REAL300013769437	1	48	0.0	-46.11	399.91	4.09	-42.02
CC1=CC=CC(C)=C1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013769500	1	51	0.0	-37.72	387.71	8.07	-29.65
O=C([O-])C[NH+]1CCC(NC(=O)NCCS(=O)(=O)CC2CC2)CC1	REAL300013769571	1	48	0.0	-53.86	389.54	3.23	-50.63
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCC3=CNN=C32)CC1	REAL300013769635	1	46	0.0	-40.31	353.65	4.47	-35.84
CC1(C)CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=C(F)C=C2O1	REAL300013769703	1	53	0.0	-37.68	401.12	7.09	-30.59
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(O)C(Br)=C2)CC1	REAL300013769775	1	43	0.0	-37.69	364.19	4.04	-33.65
O=C([O-])C[NH+]1CCC(NC(=O)NCC2C3CC4=CC=CC=C4C23)CC1	REAL300013769842	1	50	0.0	-36.74	388.53	8.93	-27.81
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC=CC=C2F)CC1	REAL300013769898	1	41	0.0	-37.93	333.46	4.45	-33.48
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300013769956	1	45	0.0	-37.61	382.56	8.09	-29.52
CS(=O)(=O)C1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013770025	1	45	0.0	-42.08	364.82	2.18	-39.90
CS(=O)(=O)C1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCC1	REAL300013770096	1	48	0.0	-41.28	374.68	3.02	-38.26
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=C(F)C=CC=C2OC(F)F)CC1	REAL300013770173	1	46	0.0	-38.75	376.37	5.92	-32.83
CC(=O)N1CCCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013770241	1	52	0.0	-40.33	390.79	5.49	-34.84
COC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCC(C)CC1	REAL300013770310	1	55	0.0	-34.86	391.56	6.03	-28.83
CC1CCC(C)(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013770372	1	54	0.0	-35.18	386.05	7.73	-27.45
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2CCCC3=CC=C(F)C=C32)CC1	REAL300013770439	1	49	0.0	-37.23	372.94	7.79	-29.44
O=C([O-])C[NH+]1CCC(NC(=O)N[C@H]2CCCC3=CC=C(F)C=C32)CC1	REAL300013770513	1	49	0.0	-38.17	372.43	7.75	-30.42
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Br)C=N1	REAL300013770589	1	44	0.0	-35.41	368.37	6.12	-29.29
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2C2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300013770674	1	53	0.0	-46.75	420.83	8.89	-37.86
CCN1N=CN=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013770723	1	44	0.0	-39.68	350.23	5.35	-34.33
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2=CC=CC=C2F)CC1	REAL300013770793	1	48	0.0	-41.26	381.32	7.83	-33.43
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC(C3=CC=CC(F)=C3)C2)CC1	REAL300013770865	1	52	0.0	-37.02	400.23	8.97	-28.05
O=C([O-])C[NH+]1CCC(NC(=O)NC(CF)C2=CC=CC=C2)CC1	REAL300013770928	1	45	0.0	-37.70	354.25	7.15	-30.55
CC1(C)C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1(C)C	REAL300013770975	1	51	0.0	-34.73	374.71	7.22	-27.51
CN(C)C(=O)NC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013771089	1	54	0.0	-46.25	420.73	6.01	-40.24
CC1CCCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1C	REAL300013771166	1	54	0.0	-35.17	389.41	7.61	-27.56
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC(C3=CC=CC=C3F)C2)CC1	REAL300013771234	1	52	0.0	-37.01	399.75	8.87	-28.14
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCC(F)(F)C2)CC1	REAL300013771297	1	45	0.0	-38.14	351.80	6.13	-32.01
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2C2=CC=CC=C2Br)CC1	REAL300013771381	1	46	0.0	-41.46	378.63	8.17	-33.29
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2C2=CC=CC=C2)CC1	REAL300013771482	1	46	0.0	-41.30	360.35	7.66	-33.64
O=C([O-])C[NH+]1CCC(NC(=O)NC2CC2C2=CC=CC=C2)CC1	REAL300013771538	1	46	0.0	-37.04	360.35	7.66	-29.38
O=C([O-])C[NH+]1CCC(NC(=O)NC2CC2C2=CC=CC(F)=C2)CC1	REAL300013771626	1	46	0.0	-35.98	362.17	7.97	-28.01
CCOC1=CC=CC([C@@H]2C[C@H]2NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013771698	1	53	0.0	-43.01	411.73	7.89	-35.12
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2C2=CC=CC(Cl)=C2)CC1	REAL300013771772	1	46	0.0	-42.12	377.10	8.17	-33.95
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2C2=C(F)C=CC=C2F)CC1	REAL300013771844	1	46	0.0	-37.86	368.86	7.67	-30.19
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300013771918	1	46	0.0	-42.94	392.28	8.63	-34.31
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2C2=CC=C(Cl)C=C2)CC1	REAL300013771985	1	46	0.0	-37.69	377.49	8.22	-29.47
O=C([O-])C1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1	REAL300013772027	0	52	0.0	-61.46	388.90	10.22	-51.24
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C=C1	REAL300013772028	0	52	0.0	-71.36	412.95	9.83	-61.53
O=C([O-])C1CN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCO1	REAL300013772029	0	50	0.0	-58.34	382.08	8.66	-49.68
O=C([O-])C1CCC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1	REAL300013772030	0	55	0.0	-71.37	415.57	9.53	-61.84
O=C([O-])CCCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300013772031	0	51	0.0	-68.61	396.69	8.50	-60.11
O=C([O-])C1=CC(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)=CC=C1	REAL300013772032	0	52	0.0	-73.95	412.94	9.83	-64.12
O=C([O-])CCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300013772033	0	45	0.0	-64.28	353.69	6.93	-57.35
O=C([O-])CCCCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300013772034	0	54	0.0	-68.13	418.19	9.29	-58.84
CC(C)(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300013772035	0	51	0.0	-67.35	388.55	8.39	-58.96
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772036	0	52	0.0	-63.71	393.22	9.86	-53.85
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772037	0	55	0.0	-55.50	406.02	11.06	-44.44
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1	REAL300013772038	0	55	0.0	-70.19	403.06	10.52	-59.67
O=C([O-])CCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300013772039	0	48	0.0	-63.37	375.19	7.72	-55.65
CC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1C(=O)[O-]	REAL300013772040	0	55	0.0	-68.96	405.03	10.65	-58.31
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCOCC1	REAL300013772041	0	56	0.0	-61.66	415.30	7.89	-53.77
CC(C)(CCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300013772042	0	54	0.0	-64.58	408.48	8.61	-55.97
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300013772043	0	57	0.0	-53.05	420.78	9.41	-43.64
CC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300013772044	0	48	0.0	-66.25	372.24	7.68	-58.57
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300013772045	0	54	0.0	-60.08	404.73	9.02	-51.06
CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013772046	0	61	0.0	-65.72	447.21	10.27	-55.45
CC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013772047	0	58	0.0	-52.34	440.16	11.24	-41.10
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772048	0	52	0.0	-58.94	393.69	9.67	-49.27
O=C([O-])CCC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1	REAL300013772049	0	58	0.0	-66.26	429.72	11.66	-54.60
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C2	REAL300013772050	0	54	0.0	-62.64	403.42	9.16	-53.48
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCCC1	REAL300013772051	0	55	0.0	-61.38	413.66	9.78	-51.60
CC1CN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCC1C(=O)[O-]	REAL300013772052	0	55	0.0	-60.53	402.25	10.94	-49.59
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCC1	REAL300013772053	0	52	0.0	-58.70	396.56	8.94	-49.76
O=C([O-])CC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C1CC1	REAL300013772054	0	55	0.0	-62.10	420.70	9.71	-52.39
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1	REAL300013772055	0	55	0.0	-70.19	403.06	10.52	-59.67
CC(C)C[C@H](CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)CC(=O)[O-]	REAL300013772056	0	60	0.0	-56.59	441.69	10.11	-46.48
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300013772057	0	52	0.0	-67.92	406.56	9.94	-57.98
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772058	0	56	0.0	-67.89	424.70	9.77	-58.12
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772059	0	49	0.0	-65.54	380.62	8.30	-57.24
O=C([O-])CN1CCC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1	REAL300013772060	0	57	0.0	-66.91	428.70	7.38	-59.53
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772061	0	52	0.0	-74.03	387.38	9.92	-64.11
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772062	0	52	0.0	-68.00	386.54	10.88	-57.12
O=C([O-])C1CC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772063	0	49	0.0	-65.60	380.70	8.29	-57.31
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772064	0	49	0.0	-67.17	380.16	8.35	-58.82
O=C([O-])C1=CC(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)=CC=C1	REAL300013772065	0	52	0.0	-73.95	412.94	9.83	-64.12
CCC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300013772066	0	51	0.0	-50.82	389.18	8.49	-42.33
O=C([O-])CCC1CCCCN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300013772067	0	58	0.0	-73.21	423.44	11.61	-61.60
O=C([O-])CCCCCCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300013772068	0	60	0.0	-70.48	461.19	10.85	-59.63
O=C([O-])CCCCCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300013772069	0	57	0.0	-70.89	439.69	10.07	-60.82
CN(CCCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300013772070	0	51	0.0	-62.64	392.82	10.14	-52.50
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772071	0	55	0.0	-70.27	404.54	10.98	-59.29
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772072	0	59	0.0	-72.96	435.13	10.86	-62.10
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300013772073	0	55	0.0	-55.28	424.51	9.48	-45.80
O=C([O-])CCC1CCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772074	0	58	0.0	-71.00	430.07	11.66	-59.34
O=C([O-])C1CN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC2=CC=CC=C21	REAL300013772075	0	56	0.0	-57.69	423.07	12.73	-44.96
O=C([O-])C(=O)N1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1	REAL300013772076	0	53	0.0	-62.78	402.20	8.99	-53.79
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300013772077	0	55	0.0	-55.66	405.13	10.78	-44.88
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772078	0	53	0.0	-65.22	399.26	7.77	-57.45
O=C([O-])C1CC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C2=CC=CC=C21	REAL300013772079	0	56	0.0	-68.16	435.62	11.07	-57.09
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1	REAL300013772080	0	59	0.0	-74.99	434.51	9.64	-65.35
O=C([O-])C12CC(NC(=O)NCC3=CC=CC=C3C[NH+]3CCCC3)(C1)C2	REAL300013772081	0	50	0.0	-70.00	390.41	8.52	-61.48
O=C([O-])CC1(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCCCC1	REAL300013772082	0	61	0.0	-66.62	436.58	10.51	-56.11
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1	REAL300013772083	0	55	0.0	-65.24	410.64	9.99	-55.25
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1	REAL300013772084	0	58	0.0	-70.34	435.37	10.24	-60.10
O=C([O-])CC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1	REAL300013772085	0	55	0.0	-66.91	407.41	10.88	-56.03
O=C([O-])COC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CC1	REAL300013772086	0	56	0.0	-65.86	423.97	10.31	-55.55
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772087	0	55	0.0	-67.54	415.63	9.53	-58.01
O=C([O-])C1CCCC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013772088	0	55	0.0	-61.36	411.19	9.95	-51.41
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O=C([O-])CCCCNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300013774965	1	48	0.0	-72.39	381.87	3.75	-68.64
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)=CC=C1	REAL300013774966	1	49	0.0	-72.19	398.14	5.06	-67.13
O=C([O-])CCNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300013774967	1	42	0.0	-68.80	338.88	2.17	-66.63
O=C([O-])CCCCCNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300013774968	1	51	0.0	-71.23	403.37	4.53	-66.70
CC(C)(CNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300013774969	1	48	0.0	-72.13	373.73	3.64	-68.49
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013774970	1	49	0.0	-71.37	381.23	5.03	-66.34
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013774971	1	52	0.0	-54.19	391.21	6.30	-47.89
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC1	REAL300013774972	1	52	0.0	-70.76	387.41	5.54	-65.22
O=C([O-])CCCNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300013774973	1	45	0.0	-66.69	360.37	2.97	-63.72
CC1CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC1C(=O)[O-]	REAL300013774974	1	52	0.0	-74.01	390.28	5.90	-68.11
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCOCC1	REAL300013774975	1	53	0.0	-60.95	400.46	3.12	-57.83
CC(C)(CCNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300013774976	1	51	0.0	-67.81	393.08	3.84	-63.97
CCC(CC)(CNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300013774977	1	54	0.0	-59.71	405.97	4.65	-55.06
CC(CNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300013774978	1	45	0.0	-70.22	357.42	2.93	-67.29
CC(C)C(CNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300013774979	1	51	0.0	-61.82	396.17	4.11	-57.71
CC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013774980	1	58	0.0	-75.65	436.11	5.78	-69.87
CC(CNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013774981	1	55	0.0	-60.83	429.25	6.29	-54.54
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013774982	1	49	0.0	-63.96	381.80	4.22	-59.74
O=C([O-])CCC1CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC1	REAL300013774983	1	55	0.0	-73.05	414.90	6.90	-66.15
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1=CC=C(N3CCOCC3)[NH+]=C1)C2	REAL300013774984	1	51	0.0	-69.62	391.24	3.51	-66.11
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCCC1	REAL300013774985	1	52	0.0	-60.69	398.83	5.02	-55.67
CC1CN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCC1C(=O)[O-]	REAL300013774986	1	52	0.0	-68.24	387.45	6.18	-62.06
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCC1	REAL300013774987	1	49	0.0	-57.25	381.76	4.17	-53.08
O=C([O-])CC(CNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C1CC1	REAL300013774988	1	52	0.0	-69.62	405.88	4.95	-64.67
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC1	REAL300013774989	1	52	0.0	-70.76	387.41	5.54	-65.22
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)CC(=O)[O-]	REAL300013774990	1	57	0.0	-64.23	432.28	5.57	-58.66
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300013774991	1	49	0.0	-63.78	391.76	5.17	-58.61
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013774992	1	53	0.0	-72.92	412.09	4.15	-68.77
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013774993	1	46	0.0	-67.65	365.54	3.32	-64.33
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3CCOCC3)N=C2)CC1	REAL300013774994	1	54	0.0	-42.18	414.54	4.45	-37.73
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013774995	1	49	0.0	-54.96	374.04	5.22	-49.74
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013774996	1	49	0.0	-55.87	375.28	5.28	-50.59
O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013774997	1	46	0.0	-67.52	365.85	3.53	-63.99
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013774998	1	46	0.0	-69.91	365.08	3.37	-66.54
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)=CC=C1	REAL300013774999	1	49	0.0	-72.19	398.14	5.06	-67.13
CCC(CNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300013775000	1	48	0.0	-61.33	379.38	3.63	-57.70
O=C([O-])CCC1CCCCN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300013775001	1	55	0.0	-76.61	408.24	6.84	-69.77
O=C([O-])CCCCCCCNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300013775002	1	57	0.0	-73.47	446.37	6.09	-67.38
O=C([O-])CCCCCCNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300013775003	1	54	0.0	-74.33	424.87	5.31	-69.02
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300013775004	1	48	0.0	-72.19	378.00	5.38	-66.81
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013775005	1	52	0.0	-75.70	389.69	6.21	-69.49
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013775006	1	56	0.0	-79.19	420.32	6.11	-73.08
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300013775007	1	52	0.0	-52.46	409.69	4.73	-47.73
O=C([O-])CCC1CCCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013775008	1	55	0.0	-75.09	415.24	6.90	-68.19
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC2=CC=CC=C21	REAL300013775009	1	53	0.0	-74.08	408.22	7.97	-66.11
O=C([O-])C(=O)N1CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC1	REAL300013775010	1	50	0.0	-65.09	387.10	4.01	-61.08
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300013775011	1	52	0.0	-54.36	390.27	6.02	-48.34
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013775012	1	50	0.0	-72.21	384.41	3.01	-69.20
O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C2=CC=CC=C21	REAL300013775013	1	53	0.0	-70.84	420.82	6.30	-64.54
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC1	REAL300013775014	1	56	0.0	-73.95	419.41	4.65	-69.30
O=C([O-])C12CC(NC(=O)NCC3=CC=C(N4CCOCC4)[NH+]=C3)(C1)C2	REAL300013775015	1	47	0.0	-74.62	375.59	3.75	-70.87
O=C([O-])CC1(CNC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCCCC1	REAL300013775016	1	58	0.0	-64.13	421.77	5.74	-58.39
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC1	REAL300013775017	1	52	0.0	-63.16	395.02	5.15	-58.01
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC1	REAL300013775018	1	55	0.0	-72.85	418.93	5.23	-67.62
O=C([O-])CC1CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC1	REAL300013775019	1	52	0.0	-72.33	392.58	6.12	-66.21
O=C([O-])COC1CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC1	REAL300013775020	1	53	0.0	-71.87	409.12	5.54	-66.33
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013775021	1	52	0.0	-68.40	400.77	4.76	-63.64
O=C([O-])C1CCCC(NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013775022	1	52	0.0	-65.42	396.34	5.19	-60.23
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCCOC1	REAL300013775023	1	53	0.0	-63.54	405.59	3.60	-59.94
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCOC1	REAL300013775024	1	50	0.0	-59.83	387.52	2.30	-57.53
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=C(N3CCOCC3)[NH+]=C1)C2	REAL300013775025	1	47	0.0	-66.35	377.28	4.25	-62.10
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC1	REAL300013775026	1	46	0.0	-55.21	365.65	3.80	-51.41
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CC12CCC2	REAL300013775027	1	53	0.0	-61.77	403.85	6.29	-55.48
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCO1	REAL300013775028	1	50	0.0	-75.80	382.74	4.70	-71.10
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013775029	1	43	0.0	-62.56	346.35	3.54	-59.02
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013775030	1	53	0.0	-57.08	405.91	4.54	-52.54
O=C([O-])C1CCN(C(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013775031	1	46	0.0	-70.62	361.50	4.55	-66.07
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=C(N3CCOCC3)[NH+]=C1)C2	REAL300013775032	1	47	0.0	-74.29	376.25	4.28	-70.01
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300013775033	1	48	0.0	-64.96	380.13	3.98	-60.98
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300013775066	1	51	0.0	-42.03	390.20	8.40	-33.63
CCOC1=CC2=C(C=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC(C)C2	REAL300013775139	1	57	0.0	-37.93	440.44	7.14	-30.79
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC(C3CC3)=NO2)CC1	REAL300013775194	1	44	0.0	-37.94	356.10	3.39	-34.55
CN1C2=CC=CC=C2N=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013775261	1	48	0.0	-40.74	379.16	6.55	-34.19
COC1=CC=CC(N2CCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2)=C1	REAL300013775338	1	55	0.0	-41.43	417.46	5.42	-36.01
CC(C)C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NC2=CC=CC=C2N1	REAL300013775412	1	54	0.0	-36.96	407.96	7.44	-29.52
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NC2=CC=CC=C2N1	REAL300013775484	1	48	0.0	-38.05	378.88	5.91	-32.14
O=C([O-])C[NH+]1CCC(NC(=O)NCCCN2CCOC2=O)CC1	REAL300013775552	1	47	0.0	-45.45	370.61	4.15	-41.30
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C2C(=C1)CC(=O)N2C	REAL300013775620	1	53	0.0	-41.78	413.47	7.54	-34.24
COC1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013775691	1	49	0.0	-45.72	390.37	6.41	-39.31
CCCC1CCCCC1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013775753	1	54	0.0	-34.75	390.30	8.62	-26.13
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCCC2CC2=CC=CC=C2)CC1	REAL300013775822	1	58	0.0	-36.20	432.03	10.45	-25.75
CC1(C)COCCN1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013775893	1	54	0.0	-41.09	389.42	2.53	-38.56
COC1=CC=CC2=C1OCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C2	REAL300013775966	1	51	0.0	-42.33	393.72	6.22	-36.11
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NC=C(C3=CC=CC=C3)O2)CC1	REAL300013776041	1	48	0.0	-38.04	387.94	4.73	-33.31
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=CN=C2)C2CCCCC2)CC1	REAL300013776117	1	57	0.0	-35.84	413.51	8.07	-27.77
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013776216	1	51	0.0	-37.77	389.25	8.19	-29.58
CC1=CC=C(C(C)(C)CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013776289	1	54	0.0	-36.85	404.25	8.80	-28.05
CCCCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(OC)C=C1	REAL300013776417	1	58	0.0	-40.24	436.56	8.29	-31.95
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300013776508	0	55	0.0	-77.68	422.29	9.26	-68.42
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300013776509	0	55	0.0	-79.40	446.38	8.90	-70.50
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300013776510	0	53	0.0	-81.68	415.39	7.74	-73.94
C[NH+](C)CCCOC1=CC=C(CNC(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300013776511	0	58	0.0	-81.92	449.02	8.58	-73.34
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C1	REAL300013776512	0	54	0.0	-79.96	430.12	7.57	-72.39
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013776513	0	55	0.0	-79.79	446.38	8.89	-70.90
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCCC(=O)[O-])C=C1	REAL300013776514	0	48	0.0	-77.79	387.13	6.00	-71.79
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013776515	0	57	0.0	-78.44	451.62	8.36	-70.08
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013776516	0	54	0.0	-80.31	422.57	7.46	-72.85
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300013776517	0	55	0.0	-82.58	426.62	8.91	-73.67
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(OCCC[NH+](C)C)C=C2)C1	REAL300013776518	0	58	0.0	-67.14	439.44	10.12	-57.02
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013776519	0	58	0.0	-79.49	436.54	9.60	-69.89
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013776520	0	51	0.0	-74.96	408.62	6.80	-68.16
CC1CCN(C(=O)NCC2=CC=C(OCCC[NH+](C)C)C=C2)CC1C(=O)[O-]	REAL300013776521	0	58	0.0	-81.93	438.53	9.72	-72.21
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013776522	0	59	0.0	-71.71	448.70	6.96	-64.75
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013776523	0	57	0.0	-75.56	441.33	7.66	-67.90
CCC(CC)(CNC(=O)NCC1=CC=C(OCCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013776524	0	60	0.0	-74.36	454.22	8.48	-65.88
CC(CNC(=O)NCC1=CC=C(OCCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013776525	0	51	0.0	-78.58	404.80	6.73	-71.85
CC(C)C(CNC(=O)NCC1=CC=C(OCCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013776526	0	57	0.0	-74.68	444.42	7.95	-66.73
C[NH+](C)CCCOC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013776527	0	55	0.0	-73.09	430.04	8.05	-65.04
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300013776528	0	61	0.0	-78.61	463.13	10.74	-67.87
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C=C1	REAL300013776529	0	57	0.0	-76.70	439.83	7.56	-69.14
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013776530	0	58	0.0	-72.19	447.08	8.85	-63.34
CC1CN(C(=O)NCC2=CC=C(OCCC[NH+](C)C)C=C2)CCC1C(=O)[O-]	REAL300013776531	0	58	0.0	-76.34	435.69	10.00	-66.34
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCC2)C=C1	REAL300013776532	0	55	0.0	-70.60	429.10	8.15	-62.45
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300013776533	0	58	0.0	-81.34	454.12	8.78	-72.56
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013776534	0	58	0.0	-79.49	436.54	9.60	-69.89
CC(C)C[C@H](CNC(=O)NCC1=CC=C(OCCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013776535	0	63	0.0	-80.27	475.11	9.22	-71.05
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013776536	0	55	0.0	-78.60	439.99	9.01	-69.59
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(OCCC[NH+](C)C)C=C2)C1	REAL300013776537	0	59	0.0	-81.58	460.34	7.98	-73.60
C[NH+](C)CCCOC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013776538	0	52	0.0	-75.09	414.09	7.36	-67.73
C[NH+](C)CCCOC1=CC=C(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C=C1	REAL300013776539	0	60	0.0	-79.55	461.67	6.40	-73.15
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013776540	0	55	0.0	-66.79	422.56	9.25	-57.54
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300013776541	0	55	0.0	-82.18	423.12	9.30	-72.88
C[NH+](C)CCCOC1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300013776542	0	52	0.0	-75.85	413.70	7.36	-68.49
C[NH+](C)CCCOC1=CC=C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300013776543	0	52	0.0	-76.48	413.93	7.40	-69.08
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013776544	0	55	0.0	-79.79	446.38	8.89	-70.90
CCC(CNC(=O)NCC1=CC=C(OCCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013776545	0	54	0.0	-72.59	422.70	7.68	-64.91
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCCCC2CCC(=O)[O-])C=C1	REAL300013776546	0	61	0.0	-88.35	456.46	10.66	-77.69
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300013776547	0	63	0.0	-80.10	494.62	9.91	-70.19
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=C1	REAL300013776548	0	60	0.0	-81.25	473.12	9.14	-72.11
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(OCCC[NH+](C)C)C=C1	REAL300013776549	0	54	0.0	-80.80	426.25	9.20	-71.60
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300013776550	0	58	0.0	-82.47	437.95	10.04	-72.43
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(OCCC[NH+](C)C)C=C1	REAL300013776551	0	58	0.0	-68.44	457.94	8.56	-59.88
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300013776552	0	61	0.0	-82.62	463.48	10.74	-71.88
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C=C1	REAL300013776553	0	56	0.0	-71.37	435.62	8.05	-63.32
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(OCCC[NH+](C)C)C=C1	REAL300013776554	0	58	0.0	-82.58	438.49	9.85	-72.73
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300013776555	0	56	0.0	-79.64	432.70	6.84	-72.80
C[NH+](C)CCCOC1=CC=C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300013776556	0	53	0.0	-81.65	423.83	7.58	-74.07
C[NH+](C)CCCOC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300013776557	0	58	0.0	-74.97	444.58	9.02	-65.95
C[NH+](C)CCCOC1=CC=C(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300013776558	0	61	0.0	-79.47	468.77	9.30	-70.17
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300013776559	0	58	0.0	-71.34	440.80	9.94	-61.40
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C=C1	REAL300013776560	0	59	0.0	-78.41	457.36	9.37	-69.04
C[NH+](C)CCCOC1=CC=C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013776561	0	58	0.0	-75.82	448.49	8.58	-67.24
C[NH+](C)CCCOC1=CC=C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C=C1	REAL300013776562	0	58	0.0	-74.24	444.58	9.02	-65.22
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300013776563	0	59	0.0	-76.66	453.83	7.44	-69.22
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300013776564	0	56	0.0	-72.50	435.76	6.13	-66.37
C[NH+](C)CCCOC1=CC=C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013776565	0	53	0.0	-75.86	425.24	8.09	-67.77
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013776566	0	52	0.0	-68.91	413.90	7.62	-61.29
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1	REAL300013776567	0	59	0.0	-71.29	452.10	10.11	-61.18
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300013776568	0	56	0.0	-82.27	430.99	8.52	-73.75
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C2)C=C1	REAL300013776569	0	49	0.0	-71.33	394.87	7.57	-63.76
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(OCCC[NH+](C)C)C=C2)C1	REAL300013776570	0	59	0.0	-67.09	455.92	8.30	-58.79
C[NH+](C)CCCOC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300013776571	0	52	0.0	-77.93	409.75	8.36	-69.57
C[NH+](C)CCCOC1=CC=C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013776572	0	53	0.0	-81.40	424.85	8.09	-73.31
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(OCCC[NH+](C)C)C=C1	REAL300013776573	0	54	0.0	-73.09	428.38	7.81	-65.28
CC1=C2C(CCNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CNC2=CC=C1	REAL300013776606	1	52	0.0	-40.46	399.64	7.47	-32.99
O=C([O-])C1CCN(C(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300013776649	0	55	0.0	-79.75	417.87	10.86	-68.89
O=C([O-])C1CCN(C(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300013776649	1	55	0.0	-76.45	416.36	10.76	-65.69
O=C([O-])C1=CC=C(CNC(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)C=C1	REAL300013776650	0	55	0.0	-81.93	439.89	10.41	-71.52
O=C([O-])C1=CC=C(CNC(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)C=C1	REAL300013776650	1	55	0.0	-80.90	440.37	10.42	-70.48
O=C([O-])C1CN(C(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)CCO1	REAL300013776651	0	53	0.0	-83.61	409.50	9.24	-74.37
O=C([O-])C1CN(C(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)CCO1	REAL300013776651	1	53	0.0	-68.15	409.67	9.27	-58.88
O=C([O-])C1CCC(NC(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300013776652	0	58	0.0	-81.41	441.54	10.07	-71.34
O=C([O-])C1CCC(NC(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300013776652	1	58	0.0	-83.03	443.09	10.15	-72.88
O=C([O-])CCCCNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300013776653	0	54	0.0	-81.46	423.63	9.08	-72.38
O=C([O-])CCCCNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300013776653	1	54	0.0	-79.81	423.88	9.10	-70.71
O=C([O-])C1=CC(CNC(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)=CC=C1	REAL300013776654	0	55	0.0	-81.59	439.90	10.40	-71.19
O=C([O-])C1=CC(CNC(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)=CC=C1	REAL300013776654	1	55	0.0	-79.65	440.15	10.41	-69.24
O=C([O-])CCNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300013776655	0	48	0.0	-78.51	380.64	7.51	-71.00
O=C([O-])CCNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300013776655	1	48	0.0	-76.75	380.89	7.52	-69.23
O=C([O-])CCCCCNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300013776656	0	57	0.0	-80.08	445.13	9.87	-70.21
O=C([O-])CCCCCNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300013776656	1	57	0.0	-78.70	445.38	9.88	-68.82
CC(C)(CNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013776657	0	54	0.0	-81.78	416.07	8.96	-72.82
CC(C)(CNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013776657	1	54	0.0	-79.85	415.74	8.99	-70.86
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300013776658	0	55	0.0	-77.85	420.89	10.50	-67.35
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300013776658	1	55	0.0	-80.02	420.89	10.36	-69.66
CC1CC(C(=O)[O-])CN(C(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300013776659	0	58	0.0	-65.10	433.13	11.55	-53.55
CC1CC(C(=O)[O-])CN(C(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300013776659	1	58	0.0	-84.00	438.62	11.39	-72.61
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300013776660	0	58	0.0	-80.72	429.95	11.08	-69.64
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300013776660	1	58	0.0	-79.88	430.72	11.05	-68.83
O=C([O-])CCCNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300013776661	0	51	0.0	-74.59	402.47	8.31	-66.28
O=C([O-])CCCNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300013776661	1	51	0.0	-74.59	402.38	8.32	-66.27
CC1CCN(C(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300013776662	0	58	0.0	-83.91	435.96	11.32	-72.59
CC1CCN(C(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300013776662	1	58	0.0	-64.23	426.97	11.01	-53.22
O=C([O-])C1(CNC(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)CCOCC1	REAL300013776663	0	59	0.0	-70.63	442.21	8.44	-62.19
O=C([O-])C1(CNC(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)CCOCC1	REAL300013776663	1	59	0.0	-68.55	442.48	8.50	-60.05
CC(C)(CCNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013776664	0	57	0.0	-76.94	434.84	9.17	-67.77
CC(C)(CCNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013776664	1	57	0.0	-75.41	435.67	9.20	-66.21
CCC(CC)(CNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013776665	0	60	0.0	-69.22	445.07	10.31	-58.91
CCC(CC)(CNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013776665	1	60	0.0	-68.19	443.50	10.16	-58.03
CC(CNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013776666	0	51	0.0	-79.94	399.18	8.27	-71.67
CC(CNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013776666	1	51	0.0	-78.19	399.43	8.28	-69.91
CC(C)C(CNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013776667	0	57	0.0	-69.77	431.66	9.59	-60.18
CC(C)C(CNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013776667	1	57	0.0	-71.38	438.17	9.46	-61.92
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300013776668	0	55	0.0	-74.86	424.14	9.62	-65.24
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300013776668	1	55	0.0	-72.95	424.11	9.61	-63.34
O=C([O-])CCC1CCN(C(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300013776669	0	61	0.0	-81.49	457.11	12.22	-69.27
O=C([O-])CCC1CCN(C(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300013776669	1	61	0.0	-79.64	457.15	12.22	-67.42
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1CC[N@H+](CCC3=CC=CC=C3)C1)C2	REAL300013776670	0	57	0.0	-77.57	434.19	8.95	-68.62
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1CC[N@@H+](CCC3=CC=CC=C3)C1)C2	REAL300013776670	1	57	0.0	-79.46	434.97	8.97	-70.49
O=C([O-])C1(CNC(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)CCCC1	REAL300013776671	0	58	0.0	-70.16	440.84	10.38	-59.78
O=C([O-])C1(CNC(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)CCCC1	REAL300013776671	1	58	0.0	-68.45	440.85	10.38	-58.07
CC1CN(C(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300013776672	0	58	0.0	-78.63	431.49	11.57	-67.06
CC1CN(C(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300013776672	1	58	0.0	-75.86	432.80	11.26	-64.60
O=C([O-])C1(CNC(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)CCC1	REAL300013776673	0	55	0.0	-68.73	422.84	9.67	-59.06
O=C([O-])C1(CNC(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)CCC1	REAL300013776673	1	55	0.0	-66.60	422.60	9.69	-56.91
O=C([O-])CC(CNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C1CC1	REAL300013776674	0	58	0.0	-80.13	449.41	10.41	-69.72
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COC(=O)C1CC2(C1)CN(C(=O)NCCC1CC[NH+](C)CC1)CC2C(=O)[O-]	REAL300013776794	0	58	0.0	-71.38	437.41	9.21	-62.17
C[NH+]1CCC(CCNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013776795	0	54	0.0	-80.75	386.95	9.11	-71.64
C[NH+]1CCC(CCNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013776796	0	56	0.0	-76.23	425.10	8.37	-67.86
C[NH+]1CCC(CCNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013776797	0	53	0.0	-76.79	403.61	7.58	-69.21
C[NH+]1CCC(CCNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013776798	0	51	0.0	-78.33	368.44	8.49	-69.84
COCC1(C(=O)[O-])CCCN(C(=O)NCCC2CC[NH+](C)CC2)C1	REAL300013776799	0	55	0.0	-81.60	399.97	8.26	-73.34
COCCN(CCC(=O)[O-])C(=O)NCCC1CC[NH+](C)CC1	REAL300013776800	0	51	0.0	-63.86	388.42	6.99	-56.87
C[NH+]1CCC(CCNC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)CC1	REAL300013776801	0	57	0.0	-79.94	426.06	9.19	-70.75
C[NH+]1CCC(CCNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013776802	0	54	0.0	-77.42	393.96	9.18	-68.24
C[NH+]1CCC(CCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013776803	0	52	0.0	-80.15	386.20	10.48	-69.67
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCC2CC[NH+](C)CC2)CCO1	REAL300013776804	0	59	0.0	-75.24	443.18	7.45	-67.79
C[NH+]1CCC(CCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013776805	0	49	0.0	-68.72	366.11	6.49	-62.23
CC1CCC(C(=O)[O-])CN1C(=O)NCCC1CC[NH+](C)CC1	REAL300013776806	0	51	0.0	-63.47	368.83	8.32	-55.15
C[NH+]1CCC(CCNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013776807	0	55	0.0	-68.43	416.27	10.33	-58.10
C[NH+]1CCC(CCNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013776808	0	49	0.0	-75.66	363.19	5.29	-70.37
C[NH+]1CCC(CCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013776809	0	52	0.0	-73.16	397.25	8.49	-64.67
C[NH+]1CCC(CCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013776810	0	55	0.0	-88.16	405.19	7.57	-80.59
COCC1(C(=O)[O-])CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1	REAL300013776811	0	55	0.0	-76.28	397.18	7.89	-68.39
C[NH+]1CCC(CCNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013776812	0	57	0.0	-68.26	400.22	8.02	-60.24
C[NH+]1CCC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013776813	0	51	0.0	-70.32	373.74	7.44	-62.88
C[NH+]1CCC(CCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013776814	0	54	0.0	-76.20	399.26	7.76	-68.44
C[NH+]1CCC(CCNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013776815	0	51	0.0	-74.77	371.31	8.39	-66.38
C[NH+]1CCC(CCNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013776816	0	52	0.0	-76.06	387.85	7.81	-68.25
C[NH+]1CCC(CCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013776817	0	51	0.0	-72.85	379.49	7.04	-65.81
C[NH+]1CCC(CCNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013776818	0	51	0.0	-70.05	375.07	7.46	-62.59
C[NH+]1CCC(CCNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013776819	0	52	0.0	-70.20	384.31	5.88	-64.32
C[NH+]1CCC(CCNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013776820	0	49	0.0	-66.39	366.25	4.57	-61.82
C[NH+]1CCC(CCNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013776821	0	60	0.0	-75.64	451.50	9.73	-65.91
C[NH+]1CCC(CCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013776822	0	52	0.0	-67.37	381.37	8.50	-58.87
C[NH+]1CCC(CCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013776823	0	48	0.0	-69.28	373.61	7.58	-61.70
C[NH+]1CCC(CCNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013776824	0	49	0.0	-78.39	361.47	6.97	-71.42
COC1CC(C(=O)[O-])CN(C(=O)NCCC2CC[NH+](C)CC2)C1	REAL300013776825	0	52	0.0	-65.61	384.65	6.81	-58.80
C[NH+]1CCC(CCNC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)CC1	REAL300013776826	0	57	0.0	-79.44	432.11	6.28	-73.16
O=C([O-])C[NH+]1CCC(NC(=O)NOCC2=CC=CC=C2)CC1	REAL300013776838	1	43	0.0	-45.23	346.51	7.43	-37.80
CC1=NOC(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=CC=C2)=N1	REAL300013776896	1	50	0.0	-39.85	402.12	5.69	-34.16
CC(C)SC1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013776969	1	55	0.0	-40.90	428.80	9.51	-31.39
CCSC1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013777041	1	52	0.0	-41.01	412.29	8.97	-32.04
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013777084	0	54	0.0	-75.03	406.23	8.57	-66.46
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013777085	0	54	0.0	-75.04	430.34	8.20	-66.84
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013777086	0	52	0.0	-63.25	399.38	7.04	-56.21
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013777087	0	57	0.0	-77.19	432.96	7.90	-69.29
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCCCCC(=O)[O-])CC1	REAL300013777088	0	53	0.0	-74.20	414.06	6.90	-67.30
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013777089	0	54	0.0	-80.38	430.34	8.19	-72.19
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCCC(=O)[O-])CC1	REAL300013777090	0	47	0.0	-70.45	371.06	5.30	-65.15
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013777091	0	56	0.0	-73.00	435.56	7.68	-65.32
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013777092	0	53	0.0	-73.71	406.50	6.77	-66.94
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013777093	0	54	0.0	-68.86	410.56	8.23	-60.63
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)C1	REAL300013777094	0	57	0.0	-61.34	423.40	9.44	-51.90
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013777095	0	57	0.0	-77.94	419.88	8.89	-69.05
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])CC1	REAL300013777096	0	50	0.0	-68.11	392.56	6.12	-61.99
CC1CCN(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)CC1C(=O)[O-]	REAL300013777097	0	57	0.0	-75.22	416.86	8.84	-66.38
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013777098	0	58	0.0	-69.25	432.67	6.25	-63.00
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013777099	0	56	0.0	-68.92	425.85	6.99	-61.93
CCC(CC)(CNC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013777100	0	59	0.0	-57.09	438.16	7.80	-49.29
CC(CNC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013777101	0	50	0.0	-72.32	388.74	6.06	-66.26
CC(C)C(CNC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013777102	0	56	0.0	-55.33	423.10	7.35	-47.98
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013777103	0	54	0.0	-65.47	413.99	7.37	-58.10
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013777104	0	60	0.0	-76.77	447.08	10.05	-66.72
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013777105	0	56	0.0	-69.14	423.99	6.85	-62.29
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013777106	0	57	0.0	-69.25	431.02	8.15	-61.10
CC1CN(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)CCC1C(=O)[O-]	REAL300013777107	0	57	0.0	-75.39	419.67	9.32	-66.07
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013777108	0	54	0.0	-65.86	413.97	7.30	-58.56
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013777109	0	57	0.0	-67.87	438.07	8.09	-59.78
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013777110	0	57	0.0	-77.94	419.88	8.89	-69.05
CC(C)C[C@H](CNC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013777111	0	62	0.0	-61.94	459.06	8.54	-53.40
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013777112	0	54	0.0	-77.40	423.96	8.31	-69.09
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)C1	REAL300013777113	0	58	0.0	-66.33	444.28	7.28	-59.05
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013777114	0	51	0.0	-70.52	398.01	6.67	-63.85
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013777115	0	59	0.0	-77.83	445.61	5.71	-72.12
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013777116	0	54	0.0	-61.81	407.22	8.60	-53.21
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013777117	0	54	0.0	-76.38	407.06	8.61	-67.77
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013777118	0	51	0.0	-70.63	398.04	6.66	-63.97
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013777119	0	51	0.0	-72.27	397.55	6.71	-65.56
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013777120	0	54	0.0	-80.38	430.34	8.19	-72.19
CCC(CNC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013777121	0	53	0.0	-57.59	411.56	6.77	-50.82
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013777122	0	60	0.0	-81.33	440.76	9.97	-71.36
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013777123	0	62	0.0	-75.51	478.56	9.24	-66.27
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013777124	0	59	0.0	-76.44	457.06	8.46	-67.98
CN(CCCC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300013777125	0	53	0.0	-67.87	410.20	8.52	-59.35
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013777126	0	57	0.0	-76.45	421.88	9.34	-67.11
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300013777127	0	57	0.0	-61.86	441.89	7.86	-54.00
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013777128	0	60	0.0	-77.60	447.40	10.03	-67.57
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013777129	0	55	0.0	-66.64	419.57	7.36	-59.28
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300013777130	0	57	0.0	-56.50	423.69	9.21	-47.29
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013777131	0	55	0.0	-62.67	416.63	6.14	-56.53
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013777132	0	52	0.0	-75.85	407.77	6.91	-68.94
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013777133	0	57	0.0	-71.13	427.21	8.29	-62.84
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013777134	0	60	0.0	-74.72	451.40	8.59	-66.13
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013777135	0	57	0.0	-67.73	424.77	9.27	-58.46
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013777136	0	58	0.0	-79.19	441.31	8.67	-70.52
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013777137	0	57	0.0	-72.80	432.97	7.90	-64.90
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013777138	0	57	0.0	-64.79	428.53	8.31	-56.48
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013777139	0	58	0.0	-59.22	437.79	6.75	-52.47
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013777140	0	55	0.0	-56.21	419.71	5.43	-50.78
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013777141	0	52	0.0	-72.29	409.21	7.38	-64.91
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013777142	0	51	0.0	-63.47	398.22	7.05	-56.42
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013777143	0	58	0.0	-63.88	434.83	9.36	-54.52
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013777144	0	55	0.0	-76.15	414.86	7.84	-68.31
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013777145	0	48	0.0	-63.01	378.80	6.89	-56.12
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC=C2N2CC[NH+](C)CC2)C1	REAL300013777146	0	58	0.0	-56.82	438.84	7.73	-49.09
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013777147	0	51	0.0	-70.50	393.69	7.69	-62.81
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013777148	0	52	0.0	-73.45	408.46	7.40	-66.05
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1	REAL300013777149	0	53	0.0	-70.13	412.32	7.14	-62.99
CC(=O)NC1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013777190	1	52	0.0	-47.83	410.63	5.89	-41.94
CC(C)CC(CC(C)C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013777257	1	56	0.0	-34.68	409.45	8.22	-26.46
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C2C(=C1)CC(=O)N2C	REAL300013777326	1	53	0.0	-41.78	413.47	7.54	-34.24
COC1=CC=CC=C1SCC(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013777398	1	56	0.0	-39.56	440.49	8.29	-31.27
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=NC=CS2)C2=CC=CC=C2)CC1	REAL300013777466	1	48	0.0	-37.06	395.27	7.24	-29.82
CC(C)C1CCCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013777540	1	54	0.0	-39.04	386.95	8.11	-30.93
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013777576	1	55	0.0	-82.36	422.01	4.79	-77.57
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013777577	1	53	0.0	-69.50	415.09	3.32	-66.18
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)NCCCCC(=O)[O-])CC1	REAL300013777578	1	54	0.0	-87.92	429.79	3.12	-84.80
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)NCCC(=O)[O-])CC1	REAL300013777579	1	48	0.0	-86.39	386.79	1.54	-84.85
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013777580	1	57	0.0	-85.84	451.28	3.90	-81.94
CC(C)(CNC(=O)NCC1=CC=C[NH+]=C1N1CCC(C(N)=O)CC1)C(=O)[O-]	REAL300013777581	1	54	0.0	-89.49	421.65	3.01	-86.48
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCC(C(N)=O)CC2)C1	REAL300013777582	1	55	0.0	-89.40	425.51	4.46	-84.94
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)NCCCC(=O)[O-])CC1	REAL300013777583	1	51	0.0	-82.83	408.29	2.34	-80.49
CC(C)(CCNC(=O)NCC1=CC=C[NH+]=C1N1CCC(C(N)=O)CC1)C(=O)[O-]	REAL300013777584	1	57	0.0	-83.67	440.99	3.22	-80.45
CC(CNC(=O)NCC1=CC=C[NH+]=C1N1CCC(C(N)=O)CC1)C(=O)[O-]	REAL300013777585	1	51	0.0	-87.48	405.34	2.30	-85.18
CC(C)C(CNC(=O)NCC1=CC=C[NH+]=C1N1CCC(C(N)=O)CC1)C(=O)[O-]	REAL300013777586	1	57	0.0	-82.07	438.83	3.60	-78.47
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013777587	1	55	0.0	-79.93	429.71	3.59	-76.34
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013777588	1	55	0.0	-73.47	429.68	3.56	-69.91
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013777589	1	52	0.0	-82.46	413.76	2.91	-79.55
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013777590	1	55	0.0	-65.85	422.16	4.85	-61.00
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013777591	1	55	0.0	-91.24	423.37	4.90	-86.34
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013777592	1	52	0.0	-80.70	413.69	2.95	-77.75
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013777593	1	52	0.0	-86.25	413.64	2.98	-83.27
CCC(CNC(=O)NCC1=CC=C[NH+]=C1N1CCC(C(N)=O)CC1)C(=O)[O-]	REAL300013777594	1	54	0.0	-83.96	427.29	3.01	-80.95
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCC(C(N)=O)CC1	REAL300013777595	1	54	0.0	-94.58	425.91	4.74	-89.84
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013777596	1	53	0.0	-90.88	423.50	3.14	-87.74
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013777597	1	53	0.0	-80.30	424.84	3.67	-76.63
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013777598	1	52	0.0	-73.10	413.93	3.28	-69.82
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013777599	1	49	0.0	-76.61	394.46	3.16	-73.45
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013777600	1	52	0.0	-86.35	409.35	3.95	-82.40
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013777601	1	53	0.0	-91.31	424.18	3.64	-87.67
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C[NH+]=C1N1CCC(C(N)=O)CC1	REAL300013777602	1	54	0.0	-78.53	428.04	3.37	-75.16
O=C([O-])C1CCN(C(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC1	REAL300013777620	0	58	0.0	-80.02	437.00	9.15	-70.87
O=C([O-])C1CN(C(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCO1	REAL300013777621	0	56	0.0	-71.07	430.14	7.63	-63.44
O=C([O-])CCCCNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300013777622	0	57	0.0	-82.97	444.84	7.47	-75.50
O=C([O-])CCNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300013777623	0	51	0.0	-80.11	401.84	5.90	-74.21
O=C([O-])CCCCCNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300013777624	0	60	0.0	-81.70	466.34	8.25	-73.45
CC(C)(CNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300013777625	0	57	0.0	-83.06	437.28	7.35	-75.71
CC1(C(=O)[O-])CCN(C(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013777626	0	58	0.0	-85.19	440.62	8.78	-76.41
O=C([O-])CCCNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300013777627	0	54	0.0	-77.79	423.34	6.69	-71.10
CC(C)(CCNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300013777628	0	60	0.0	-78.71	456.04	7.57	-71.14
CC(CNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300013777629	0	54	0.0	-81.42	420.39	6.65	-74.77
CC(C)C(CNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300013777630	0	60	0.0	-72.52	452.87	7.98	-64.54
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013777631	0	58	0.0	-75.57	444.75	7.96	-67.61
O=C([O-])C1(CNC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCC1	REAL300013777632	0	58	0.0	-71.46	444.72	7.91	-63.55
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013777633	0	55	0.0	-78.30	428.48	7.26	-71.04
O=C([O-])[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013777634	0	58	0.0	-68.07	437.28	9.15	-58.92
O=C([O-])[C@H]1CCCN(C(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013777635	0	58	0.0	-69.70	438.52	9.22	-60.48
O=C([O-])C1CC(NC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013777636	0	55	0.0	-78.29	428.81	7.26	-71.03
O=C([O-])[C@H]1C[C@H](NC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013777637	0	55	0.0	-80.14	428.35	7.32	-72.82
CCC(CNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300013777638	0	57	0.0	-72.16	437.42	7.58	-64.58
CN(CCCC(=O)[O-])C(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300013777639	0	57	0.0	-83.16	440.97	9.09	-74.07
O=C([O-])C12CC(NC(=O)NCCCC[NH+]3CCN(C4=NC=CC=N4)CC3)(C1)C2	REAL300013777640	0	56	0.0	-84.51	438.55	7.49	-77.02
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCCCC[NH+]1CCN(C3=NC=CC=N3)CC1)C2	REAL300013777641	0	56	0.0	-78.86	440.28	7.99	-70.87
O=C([O-])C1(CNC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC1	REAL300013777642	0	55	0.0	-69.65	428.62	7.54	-62.11
O=C([O-])C1CN(C(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013777643	0	52	0.0	-74.19	409.36	7.57	-66.62
O=C([O-])C1CCN(C(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013777644	0	55	0.0	-81.36	424.46	8.28	-73.08
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCCCC[NH+]1CCN(C3=NC=CC=N3)CC1)C2	REAL300013777645	0	56	0.0	-84.33	439.23	8.01	-76.32
CC(CCC(=O)[O-])NC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300013777646	0	57	0.0	-76.02	443.10	7.71	-68.31
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=CC=C2)C2CCC2)CC1	REAL300013777678	1	52	0.0	-34.91	391.97	8.95	-25.96
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=C(F)C=C2)C2CCC2)CC1	REAL300013777754	1	52	0.0	-36.02	398.54	9.02	-27.00
CC(=O)NC1=CC=CC(OCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013777834	1	53	0.0	-45.32	419.28	4.75	-40.57
CC1COCCN1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013777898	1	51	0.0	-42.44	375.10	2.00	-40.44
CCCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=N1	REAL300013777961	1	50	0.0	-35.30	383.41	6.36	-28.94
CC(C)(C)CCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013778013	1	53	0.0	-35.31	392.57	7.24	-28.07
O=C([O-])C1CCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)CC1	REAL300013778043	0	53	0.0	-70.13	382.74	5.72	-64.41
O=C([O-])C1=CC=C(CNC(=O)NC2CC[NH+](C3CCCC3O)CC2)C=C1	REAL300013778044	0	53	0.0	-75.75	406.81	5.37	-70.38
O=C([O-])C1CN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)CCO1	REAL300013778045	0	51	0.0	-73.71	372.82	4.78	-68.93
O=C([O-])C1CCC(NC(=O)NC2CC[NH+](C3CCCC3O)CC2)CC1	REAL300013778046	0	56	0.0	-64.53	400.71	6.01	-58.52
O=C([O-])CCCCNC(=O)NC1CC[NH+](C2CCCC2O)CC1	REAL300013778047	0	52	0.0	-74.33	390.55	4.06	-70.27
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](C3CCCC3O)CC2)=CC=C1	REAL300013778048	0	53	0.0	-72.27	403.82	5.93	-66.34
O=C([O-])CCCCCNC(=O)NC1CC[NH+](C2CCCC2O)CC1	REAL300013778049	0	55	0.0	-73.30	412.05	4.84	-68.46
CC(C)(CNC(=O)NC1CC[NH+](C2CCCC2O)CC1)C(=O)[O-]	REAL300013778050	0	52	0.0	-74.59	382.41	3.94	-70.65
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778051	0	53	0.0	-72.24	383.32	5.93	-66.31
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778052	0	56	0.0	-57.56	401.63	6.90	-50.66
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)CC1	REAL300013778053	0	56	0.0	-71.84	396.35	6.07	-65.77
O=C([O-])CCCNC(=O)NC1CC[NH+](C2CCCC2O)CC1	REAL300013778054	0	49	0.0	-69.37	369.05	3.28	-66.09
CC1CCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)CC1C(=O)[O-]	REAL300013778055	0	56	0.0	-71.63	396.14	6.77	-64.86
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCC3O)CC2)CCOCC1	REAL300013778056	0	57	0.0	-59.43	407.13	3.84	-55.59
CC(C)(CCNC(=O)NC1CC[NH+](C2CCCC2O)CC1)C(=O)[O-]	REAL300013778057	0	55	0.0	-70.50	401.75	4.15	-66.35
CCC(CC)(CNC(=O)NC1CC[NH+](C2CCCC2O)CC1)C(=O)[O-]	REAL300013778058	0	58	0.0	-63.27	412.15	5.29	-57.98
CC(CNC(=O)NC1CC[NH+](C2CCCC2O)CC1)C(=O)[O-]	REAL300013778059	0	49	0.0	-72.95	366.10	3.24	-69.71
CC(C)C(CNC(=O)NC1CC[NH+](C2CCCC2O)CC1)C(=O)[O-]	REAL300013778060	0	55	0.0	-62.21	399.59	4.53	-57.68
CC(NC(=O)NC1CC[NH+](C2CCCC2O)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013778061	0	62	0.0	-72.07	440.76	6.27	-65.80
CC(CNC(=O)NC1CC[NH+](C2CCCC2O)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013778062	0	59	0.0	-63.35	434.93	7.17	-56.18
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778063	0	53	0.0	-64.50	387.47	5.08	-59.42
O=C([O-])CCC1CCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)CC1	REAL300013778064	0	59	0.0	-71.68	423.60	7.21	-64.47
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[NH+](C3CCCC3O)CC1)C2	REAL300013778065	0	55	0.0	-68.23	397.94	4.48	-63.75
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCC3O)CC2)CCCC1	REAL300013778066	0	56	0.0	-62.17	407.49	5.32	-56.85
CC1CN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)CCC1C(=O)[O-]	REAL300013778067	0	56	0.0	-66.53	393.05	7.06	-59.47
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCC3O)CC2)CCC1	REAL300013778068	0	53	0.0	-62.67	390.40	4.48	-58.19
O=C([O-])CC(CNC(=O)NC1CC[NH+](C2CCCC2O)CC1)C1CC1	REAL300013778069	0	56	0.0	-72.58	414.53	5.25	-67.33
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)CC1	REAL300013778070	0	56	0.0	-71.84	396.35	6.07	-65.77
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C2CCCC2O)CC1)CC(=O)[O-]	REAL300013778071	0	61	0.0	-69.82	435.64	5.68	-64.14
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[NH+](C2CCCC2O)CC1	REAL300013778072	0	53	0.0	-66.35	400.39	5.49	-60.86
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778073	0	57	0.0	-71.87	415.56	5.86	-66.01
O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)NC1CC[NH+](C2CCCC2O)CC1	REAL300013778074	0	50	0.0	-66.93	371.59	4.39	-62.54
O=C([O-])CN1CCC(NC(=O)NC2CC[NH+](C3CCCC3O)CC2)CC1	REAL300013778075	0	58	0.0	-67.90	419.05	3.42	-64.48
O=C([O-])[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778076	0	53	0.0	-57.86	376.60	6.08	-51.78
O=C([O-])[C@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778077	0	53	0.0	-72.68	377.11	6.09	-66.59
O=C([O-])C1CC(NC(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778078	0	50	0.0	-70.20	374.49	3.83	-66.37
O=C(N[C@H]1C[C@H](C(=O)[O-])C1)NC1CC[NH+](C2CCCC2O)CC1	REAL300013778079	0	50	0.0	-70.15	374.95	4.00	-66.15
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](C3CCCC3O)CC2)=CC=C1	REAL300013778080	0	53	0.0	-72.27	403.82	5.93	-66.34
CCC(CNC(=O)NC1CC[NH+](C2CCCC2O)CC1)C(=O)[O-]	REAL300013778081	0	52	0.0	-61.95	383.04	4.05	-57.90
O=C([O-])CCC1CCCCN1C(=O)NC1CC[NH+](C2CCCC2O)CC1	REAL300013778082	0	59	0.0	-72.33	414.20	7.69	-64.64
O=C([O-])CCCCCCCNC(=O)NC1CC[NH+](C2CCCC2O)CC1	REAL300013778083	0	61	0.0	-75.33	455.04	6.40	-68.93
O=C([O-])CCCCCCNC(=O)NC1CC[NH+](C2CCCC2O)CC1	REAL300013778084	0	58	0.0	-75.97	433.55	5.62	-70.35
CN(CCCC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2O)CC1	REAL300013778085	0	52	0.0	-70.60	383.69	6.23	-64.37
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778086	0	56	0.0	-73.20	395.45	7.08	-66.12
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778087	0	60	0.0	-76.29	426.07	6.96	-69.33
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](C2CCCC2O)CC1	REAL300013778088	0	56	0.0	-58.75	418.36	5.02	-53.73
O=C([O-])CCC1CCCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778089	0	59	0.0	-72.01	420.95	7.76	-64.25
O=C([O-])C1CN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)CC2=CC=CC=C21	REAL300013778090	0	57	0.0	-72.12	413.23	9.08	-63.04
O=C([O-])C(=O)N1CCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)CC1	REAL300013778091	0	54	0.0	-67.21	391.95	4.22	-62.99
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[NH+](C2CCCC2O)CC1	REAL300013778092	0	56	0.0	-58.40	397.24	6.93	-51.47
O=C([O-])C1(O)CCCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778093	0	54	0.0	-70.10	390.21	3.87	-66.23
O=C([O-])C1CC(NC(=O)NC2CC[NH+](C3CCCC3O)CC2)C2=CC=CC=C21	REAL300013778094	0	57	0.0	-71.78	425.02	6.37	-65.41
O=C([O-])CN1CCCCC(NC(=O)NC2CC[NH+](C3CCCC3O)CC2)C1=O	REAL300013778095	0	60	0.0	-83.97	436.13	5.60	-78.37
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)CC1	REAL300013778096	0	60	0.0	-74.20	422.82	5.58	-68.62
O=C([O-])C12CC(NC(=O)NC3CC[NH+](C4CCCC4O)CC3)(C1)C2	REAL300013778097	0	51	0.0	-76.45	384.20	4.06	-72.39
O=C([O-])CC1(CNC(=O)NC2CC[NH+](C3CCCC3O)CC2)CCCCC1	REAL300013778098	0	62	0.0	-69.05	430.42	6.05	-63.00
O=C(NC1CC[NH+](C2CCCC2O)CC1)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013778099	0	56	0.0	-64.79	400.68	5.98	-58.81
O=C(NC[C@H]1CC[C@H](C(=O)[O-])CC1)NC1CC[NH+](C2CCCC2O)CC1	REAL300013778100	0	59	0.0	-71.24	421.27	6.09	-65.15
O=C([O-])CC1CCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)CC1	REAL300013778101	0	56	0.0	-66.07	401.28	6.43	-59.64
O=C([O-])COC1CCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)CC1	REAL300013778102	0	57	0.0	-73.96	417.81	5.81	-68.15
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778103	0	56	0.0	-68.17	406.43	5.60	-62.57
O=C([O-])C1CCCC(NC(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778104	0	56	0.0	-70.51	404.54	4.71	-65.80
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCC3O)CC2)CCCOC1	REAL300013778105	0	57	0.0	-66.67	414.26	3.89	-62.78
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCC3O)CC2)CCOC1	REAL300013778106	0	54	0.0	-63.36	396.16	2.60	-60.76
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1CC[NH+](C3CCCC3O)CC1)C2	REAL300013778107	0	51	0.0	-70.31	381.64	4.22	-66.09
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCC3O)CC2)CC1	REAL300013778108	0	50	0.0	-57.88	371.33	4.68	-53.20
O=C([O-])C1CN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)CC12CCC2	REAL300013778109	0	57	0.0	-62.63	409.52	7.17	-55.46
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778110	0	53	0.0	-67.00	399.95	6.22	-60.78
CC1(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)CCO1	REAL300013778111	0	54	0.0	-73.42	388.60	5.57	-67.85
O=C([O-])C1CN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778112	0	47	0.0	-62.87	352.28	4.62	-58.25
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778113	0	57	0.0	-59.36	411.66	5.40	-53.96
O=C([O-])C1CCN(C(=O)NC2CC[NH+](C3CCCC3O)CC2)C1	REAL300013778114	0	50	0.0	-68.76	367.18	5.42	-63.34
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1CC[NH+](C3CCCC3O)CC1)C2	REAL300013778115	0	51	0.0	-72.65	381.94	5.12	-67.53
CC(CCC(=O)[O-])NC(=O)NC1CC[NH+](C2CCCC2O)CC1	REAL300013778116	0	52	0.0	-67.07	388.81	4.27	-62.80
O=C([O-])C1CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC1	REAL300013778117	0	56	0.0	-70.56	396.48	6.43	-64.13
O=C([O-])C1=CC=C(CNC(=O)NC2CC[NH+](C3CCCCC3O)CC2)C=C1	REAL300013778118	0	56	0.0	-74.36	420.65	6.07	-68.29
O=C([O-])C1CN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCO1	REAL300013778119	0	54	0.0	-74.92	389.73	4.87	-70.05
O=C([O-])C1CCC(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC1	REAL300013778120	0	59	0.0	-65.76	417.53	6.13	-59.63
O=C([O-])CCCCNC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778121	0	55	0.0	-72.09	404.39	4.74	-67.35
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](C3CCCCC3O)CC2)=CC=C1	REAL300013778122	0	56	0.0	-73.48	420.66	6.06	-67.42
O=C([O-])CCNC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778123	0	49	0.0	-69.14	361.39	3.17	-65.97
O=C([O-])CCCCCNC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778124	0	58	0.0	-71.47	425.89	5.52	-65.95
CC(C)(CNC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300013778125	0	55	0.0	-72.07	396.83	4.62	-67.45
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778126	0	56	0.0	-71.54	403.74	6.01	-65.53
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778127	0	59	0.0	-59.56	417.65	7.02	-52.54
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC1	REAL300013778128	0	59	0.0	-72.55	410.11	6.75	-65.80
O=C([O-])CCCNC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778129	0	52	0.0	-67.61	382.89	3.96	-63.65
CC1CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC1C(=O)[O-]	REAL300013778130	0	59	0.0	-73.81	412.97	6.89	-66.92
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCOCC1	REAL300013778131	0	60	0.0	-63.14	422.95	4.11	-59.03
CC(C)(CCNC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300013778132	0	58	0.0	-68.82	415.59	4.83	-63.99
CCC(CC)(CNC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300013778133	0	61	0.0	-61.08	423.78	5.81	-55.27
CC(CNC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300013778134	0	52	0.0	-70.35	379.94	3.92	-66.43
CC(C)C(CNC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300013778135	0	58	0.0	-64.14	418.68	5.11	-59.03
CC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013778136	0	65	0.0	-73.79	454.14	6.10	-67.69
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778137	0	56	0.0	-67.36	403.09	4.84	-62.52
O=C([O-])CCC1CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC1	REAL300013778138	0	62	0.0	-71.82	437.32	7.91	-63.91
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[NH+](C3CCCCC3O)CC1)C2	REAL300013778139	0	58	0.0	-70.76	414.76	4.59	-66.17
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCCC1	REAL300013778140	0	59	0.0	-62.35	421.33	6.01	-56.34
CC1CN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCC1C(=O)[O-]	REAL300013778141	0	59	0.0	-68.13	408.32	6.76	-61.37
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCC1	REAL300013778142	0	56	0.0	-60.83	402.69	4.76	-56.07
O=C([O-])CC(CNC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C1CC1	REAL300013778143	0	59	0.0	-70.75	428.91	6.04	-64.71
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC1	REAL300013778144	0	59	0.0	-72.55	410.11	6.75	-65.80
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2O)CC1)CC(=O)[O-]	REAL300013778145	0	64	0.0	-67.90	449.22	6.32	-61.58
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778146	0	56	0.0	-67.11	412.70	5.75	-61.36
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778147	0	60	0.0	-73.88	434.63	5.11	-68.77
O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778148	0	53	0.0	-68.17	387.97	4.52	-63.65
O=C([O-])CN1CCC(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC1	REAL300013778149	0	61	0.0	-71.75	434.35	3.13	-68.62
O=C([O-])[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778150	0	56	0.0	-58.70	395.25	6.04	-52.66
O=C([O-])[C@H]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778151	0	56	0.0	-74.71	398.08	6.45	-68.26
O=C([O-])C1CC(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778152	0	53	0.0	-68.56	388.33	4.52	-64.04
O=C(N[C@H]1C[C@H](C(=O)[O-])C1)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778153	0	53	0.0	-69.47	386.39	4.18	-65.29
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](C3CCCCC3O)CC2)=CC=C1	REAL300013778154	0	56	0.0	-73.48	420.66	6.06	-67.42
CCC(CNC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300013778155	0	55	0.0	-61.32	396.88	4.73	-56.59
O=C([O-])CCC1CCCCN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778156	0	62	0.0	-74.20	431.42	7.85	-66.35
O=C([O-])CCCCCCCNC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778157	0	64	0.0	-73.35	468.89	7.09	-66.26
O=C([O-])CCCCCCNC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778158	0	61	0.0	-73.84	447.39	6.30	-67.54
CN(CCCC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778159	0	55	0.0	-71.50	400.49	6.36	-65.14
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778160	0	59	0.0	-75.39	412.39	7.20	-68.19
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778161	0	63	0.0	-78.42	442.97	7.08	-71.34
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778162	0	59	0.0	-58.52	432.21	5.70	-52.82
O=C([O-])CCC1CCCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778163	0	62	0.0	-73.72	436.19	7.47	-66.25
O=C([O-])C(=O)N1CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC1	REAL300013778164	0	57	0.0	-66.55	409.81	5.23	-61.32
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778165	0	59	0.0	-59.21	412.98	7.00	-52.21
O=C([O-])C1(O)CCCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778166	0	57	0.0	-72.13	406.84	4.00	-68.13
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC1	REAL300013778167	0	63	0.0	-75.70	442.13	5.86	-69.84
O=C([O-])C12CC(NC(=O)NC3CC[NH+](C4CCCCC4O)CC3)(C1)C2	REAL300013778168	0	54	0.0	-73.74	398.08	4.75	-68.99
O=C([O-])CC1(CNC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCCCC1	REAL300013778169	0	65	0.0	-66.83	444.29	6.74	-60.09
O=C(NC1CC[NH+](C2CCCCC2O)CC1)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013778170	0	59	0.0	-66.10	417.53	6.13	-59.97
O=C(NC[C@H]1CC[C@H](C(=O)[O-])CC1)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778171	0	62	0.0	-72.26	440.31	6.07	-66.19
O=C([O-])CC1CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC1	REAL300013778172	0	59	0.0	-66.10	415.00	7.14	-58.96
O=C([O-])COC1CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC1	REAL300013778173	0	60	0.0	-74.16	431.55	6.52	-67.64
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778174	0	59	0.0	-69.02	421.71	5.34	-63.68
O=C([O-])C1CCCC(NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778175	0	59	0.0	-68.27	421.36	5.34	-62.93
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCCOC1	REAL300013778176	0	60	0.0	-61.21	425.21	4.33	-56.88
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCOC1	REAL300013778177	0	57	0.0	-62.26	410.01	3.30	-58.96
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NC1CC[NH+](C3CCCCC3O)CC1)C2	REAL300013778178	0	54	0.0	-69.47	399.82	5.23	-64.24
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC1	REAL300013778179	0	53	0.0	-60.31	388.51	4.91	-55.40
O=C([O-])C1CN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CC12CCC2	REAL300013778180	0	60	0.0	-63.89	424.78	6.88	-57.01
CC1(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCO1	REAL300013778181	0	57	0.0	-75.82	405.45	5.69	-70.13
O=C([O-])C1CN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778182	0	50	0.0	-63.41	367.63	4.34	-59.07
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778183	0	60	0.0	-60.48	430.09	5.47	-55.01
O=C([O-])C1CCN(C(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013778184	0	53	0.0	-70.89	384.02	5.53	-65.36
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1CC[NH+](C3CCCCC3O)CC1)C2	REAL300013778185	0	54	0.0	-73.80	398.78	5.26	-68.54
CC(CCC(=O)[O-])NC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013778186	0	55	0.0	-65.97	402.65	4.96	-61.01
COCCC(=O)N1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013778220	1	56	0.0	-40.36	424.84	4.65	-35.71
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCOC3(CCCC3)C2)CC1	REAL300013778290	1	53	0.0	-35.78	384.99	5.95	-29.83
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCOC3(CCCCC3)C2)CC1	REAL300013778359	1	56	0.0	-35.67	400.79	6.73	-28.94
CC1(C2=CC=CC=C2)CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013778434	1	58	0.0	-35.99	417.25	9.95	-26.04
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCOC3(CCC3)C2)CC1	REAL300013778495	1	50	0.0	-36.30	371.19	5.42	-30.88
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CSC=N2)CC1	REAL300013778542	1	41	0.0	-44.07	338.56	4.03	-40.04
O=C([O-])C[NH+]1CCC(NC(=O)NC2C3C2C2CCC3C2)CC1	REAL300013778579	1	47	0.0	-35.40	334.12	8.70	-26.70
COC1=CC=CC=C1C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CO1	REAL300013778635	1	53	0.0	-39.95	418.59	7.62	-32.33
COCCC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013778739	1	49	0.0	-36.39	378.93	5.17	-31.22
O=C([O-])C[NH+]1CCC(NC(=O)NCCN2C=C([N+](=O)[O-])C=N2)CC1	REAL300013778797	1	44	0.0	-50.87	365.43	4.94	-45.93
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCOC3(CCSC3)C2)CC1	REAL300013778868	1	51	0.0	-37.30	384.76	5.65	-31.65
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C3COCC3=C2)CC1	REAL300013778939	1	47	0.0	-37.33	369.13	5.57	-31.76
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC3=C2OCCCO3)CC1	REAL300013779013	1	51	0.0	-38.44	394.99	6.25	-32.19
O=C([O-])C[NH+]1CCC(NC(=O)NCCNC(=O)C2=CC=CC=C2F)CC1	REAL300013779088	1	49	0.0	-45.29	393.89	4.76	-40.53
CC(NC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1C[N@H+](C)CCO1	REAL300013779131	1	46	0.0	-79.25	365.42	5.26	-73.99
CC(NC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1C[N@@H+](C)CCO1	REAL300013779131	1	46	0.0	-77.55	366.61	5.72	-71.83
CC(NC(=O)N1CCOC(C(=O)[O-])C1)C1C[N@H+](C)CCO1	REAL300013779132	1	44	0.0	-80.83	327.21	3.65	-77.18
CC(NC(=O)N1CCOC(C(=O)[O-])C1)C1C[N@@H+](C)CCO1	REAL300013779132	1	44	0.0	-64.19	335.47	4.50	-59.69
CC(NC(=O)NC1CCC(C(=O)[O-])CC1)C1C[N@H+](C)CCO1	REAL300013779133	1	49	0.0	-79.69	369.81	5.38	-74.31
CC(NC(=O)NC1CCC(C(=O)[O-])CC1)C1C[N@@H+](C)CCO1	REAL300013779133	1	49	0.0	-64.87	363.50	5.78	-59.09
CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1C[N@H+](C)CCO1	REAL300013779134	1	46	0.0	-77.69	365.44	5.25	-72.44
CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1C[N@@H+](C)CCO1	REAL300013779134	1	46	0.0	-73.38	366.61	5.71	-67.67
CC(NC(=O)NCCCCCC(=O)[O-])C1C[N@H+](C)CCO1	REAL300013779135	1	48	0.0	-76.13	364.58	4.75	-71.38
CC(NC(=O)NCCCCCC(=O)[O-])C1C[N@@H+](C)CCO1	REAL300013779135	1	48	0.0	-75.68	371.85	5.17	-70.51
CC(NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C1C[N@H+](C)CCO1	REAL300013779136	1	56	0.0	-77.50	421.17	9.54	-67.96
CC(NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C1C[N@@H+](C)CCO1	REAL300013779136	1	56	0.0	-75.01	413.94	8.71	-66.30
CC(NC(=O)N1CC(C)CC(C(=O)[O-])C1)C1C[N@H+](C)CCO1	REAL300013779137	1	49	0.0	-81.09	355.76	5.77	-75.32
CC(NC(=O)N1CC(C)CC(C(=O)[O-])C1)C1C[N@@H+](C)CCO1	REAL300013779137	1	49	0.0	-80.95	356.34	5.82	-75.13
CC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)C1C[N@H+](C)CCO1	REAL300013779138	1	49	0.0	-79.97	349.50	5.95	-74.02
CC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)C1C[N@@H+](C)CCO1	REAL300013779138	1	49	0.0	-77.56	355.88	6.32	-71.24
CC(NC(=O)N1CCC(C)C(C(=O)[O-])C1)C1C[N@H+](C)CCO1	REAL300013779139	1	49	0.0	-81.89	346.87	5.89	-76.00
CC(NC(=O)N1CCC(C)C(C(=O)[O-])C1)C1C[N@@H+](C)CCO1	REAL300013779139	1	49	0.0	-79.62	359.41	6.52	-73.10
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1C[N@H+](C)CCO1	REAL300013779140	1	50	0.0	-67.61	367.76	3.33	-64.28
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1C[N@@H+](C)CCO1	REAL300013779140	1	50	0.0	-66.77	366.14	3.35	-63.42
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300013779141	1	48	0.0	-72.02	362.70	4.49	-67.53
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300013779141	1	48	0.0	-72.03	362.14	4.50	-67.53
CCC(CC)(CNC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300013779142	1	51	0.0	-60.83	365.00	5.19	-55.64
CCC(CC)(CNC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300013779142	1	51	0.0	-69.55	374.44	5.29	-64.26
CC(C)C(CNC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300013779143	1	48	0.0	-70.29	357.37	4.34	-65.95
CC(C)C(CNC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300013779143	1	48	0.0	-68.09	358.07	4.91	-63.18
CC(NC(=O)NC(C)C1C[N@H+](C)CCO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013779144	1	55	0.0	-82.54	405.48	6.63	-75.91
CC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013779144	1	55	0.0	-81.75	392.79	5.28	-76.47
CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1C[N@H+](C)CCO1	REAL300013779145	1	52	0.0	-63.65	398.29	6.93	-56.72
CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1C[N@@H+](C)CCO1	REAL300013779145	1	52	0.0	-60.26	392.34	7.17	-53.09
CC(NC(=O)N1CCC(CCC(=O)[O-])CC1)C1C[N@H+](C)CCO1	REAL300013779146	1	52	0.0	-78.30	382.09	7.08	-71.22
CC(NC(=O)N1CCC(CCC(=O)[O-])CC1)C1C[N@@H+](C)CCO1	REAL300013779146	1	52	0.0	-79.13	382.12	7.04	-72.09
CC(NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1C[N@H+](C)CCO1	REAL300013779147	1	48	0.0	-75.83	352.43	3.38	-72.45
CC(NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1C[N@@H+](C)CCO1	REAL300013779147	1	48	0.0	-75.31	360.07	4.36	-70.95
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1C[N@H+](C)CCO1	REAL300013779148	1	49	0.0	-67.67	366.13	5.21	-62.46
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1C[N@@H+](C)CCO1	REAL300013779148	1	49	0.0	-69.82	360.66	5.23	-64.59
CC(NC(=O)N1CCC(C(=O)[O-])C(C)C1)C1C[N@H+](C)CCO1	REAL300013779149	1	49	0.0	-75.62	350.30	5.64	-69.98
CC(NC(=O)N1CCC(C(=O)[O-])C(C)C1)C1C[N@@H+](C)CCO1	REAL300013779149	1	49	0.0	-77.67	362.99	6.65	-71.02
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C1C[N@H+](C)CCO1	REAL300013779150	1	49	0.0	-73.60	365.93	5.73	-67.87
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C1C[N@@H+](C)CCO1	REAL300013779150	1	49	0.0	-71.40	366.55	6.26	-65.14
CC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)C1C[N@H+](C)CCO1	REAL300013779151	1	49	0.0	-79.97	349.50	5.95	-74.02
CC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)C1C[N@@H+](C)CCO1	REAL300013779151	1	49	0.0	-77.56	355.88	6.32	-71.24
CC(C)C[C@H](CNC(=O)NC(C)C1C[N@H+](C)CCO1)CC(=O)[O-]	REAL300013779152	1	54	0.0	-76.83	394.17	5.59	-71.24
CC(C)C[C@H](CNC(=O)NC(C)C1C[N@@H+](C)CCO1)CC(=O)[O-]	REAL300013779152	1	54	0.0	-76.77	395.36	5.99	-70.78
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300013779153	1	46	0.0	-71.92	359.04	5.37	-66.55
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300013779153	1	46	0.0	-64.60	360.23	5.82	-58.78
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C2C[N@H+](C)CCO2)C1	REAL300013779154	1	50	0.0	-82.90	373.63	3.94	-78.96
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C2C[N@@H+](C)CCO2)C1	REAL300013779154	1	50	0.0	-75.77	379.70	5.49	-70.28
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CN(C)CCO1	REAL300013779155	1	51	0.0	-35.26	380.11	2.53	-32.73
CC(NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)C1C[N@H+](C)CCO1	REAL300013779156	1	56	0.0	-82.51	412.33	6.56	-75.95
CC(NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)C1C[N@@H+](C)CCO1	REAL300013779156	1	56	0.0	-70.49	417.01	6.48	-64.01
CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1C[N@H+](C)CCO1	REAL300013779157	1	46	0.0	-77.69	365.44	5.25	-72.44
CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1C[N@@H+](C)CCO1	REAL300013779157	1	46	0.0	-73.38	366.61	5.71	-67.67
COC(=O)C1CC2(C1)CN(C(=O)NC(C)C1C[N@H+](C)CCO1)CC2C(=O)[O-]	REAL300013779158	1	56	0.0	-77.31	418.52	6.72	-70.59
COC(=O)C1CC2(C1)CN(C(=O)NC(C)C1C[N@@H+](C)CCO1)CC2C(=O)[O-]	REAL300013779158	1	56	0.0	-71.54	425.90	7.53	-64.01
CC(NC(=O)N1CCCCC1CCC(=O)[O-])C1C[N@H+](C)CCO1	REAL300013779159	1	52	0.0	-83.41	369.81	7.05	-76.36
CC(NC(=O)N1CCCCC1CCC(=O)[O-])C1C[N@@H+](C)CCO1	REAL300013779159	1	52	0.0	-82.10	368.26	6.56	-75.54
CC(NC(=O)NCCCCCCCC(=O)[O-])C1C[N@H+](C)CCO1	REAL300013779160	1	54	0.0	-78.29	407.58	6.31	-71.98
CC(NC(=O)NCCCCCCCC(=O)[O-])C1C[N@@H+](C)CCO1	REAL300013779160	1	54	0.0	-77.83	414.85	6.73	-71.10
CC(NC(=O)NCCCCCCC(=O)[O-])C1C[N@H+](C)CCO1	REAL300013779161	1	51	0.0	-79.42	386.08	5.53	-73.89
CC(NC(=O)NCCCCCCC(=O)[O-])C1C[N@@H+](C)CCO1	REAL300013779161	1	51	0.0	-78.90	393.35	5.95	-72.95
CC(NC(=O)N1CCCC(C)(C(=O)[O-])C1)C1C[N@H+](C)CCO1	REAL300013779162	1	49	0.0	-81.17	351.03	6.37	-74.80
CC(NC(=O)N1CCCC(C)(C(=O)[O-])C1)C1C[N@@H+](C)CCO1	REAL300013779162	1	49	0.0	-80.66	358.70	6.80	-73.86
COCC1(C(=O)[O-])CCCN(C(=O)NC(C)C2C[N@H+](C)CCO2)C1	REAL300013779163	1	53	0.0	-85.08	381.44	6.27	-78.81
COCC1(C(=O)[O-])CCCN(C(=O)NC(C)C2C[N@@H+](C)CCO2)C1	REAL300013779163	1	53	0.0	-85.81	389.38	6.58	-79.23
COCCN(CCC(=O)[O-])C(=O)NC(C)C1C[N@H+](C)CCO1	REAL300013779164	1	49	0.0	-62.02	374.41	5.56	-56.46
COCCN(CCC(=O)[O-])C(=O)NC(C)C1C[N@@H+](C)CCO1	REAL300013779164	1	49	0.0	-59.90	379.16	5.24	-54.66
CC(NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C1C[N@H+](C)CCO1	REAL300013779165	1	55	0.0	-80.73	417.22	7.54	-73.19
CC(NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C1C[N@@H+](C)CCO1	REAL300013779165	1	55	0.0	-81.41	408.25	7.19	-74.22
CC(NC(=O)N1CCCC(CCC(=O)[O-])C1)C1C[N@H+](C)CCO1	REAL300013779166	1	52	0.0	-80.89	375.29	6.64	-74.25
CC(NC(=O)N1CCCC(CCC(=O)[O-])C1)C1C[N@@H+](C)CCO1	REAL300013779166	1	52	0.0	-79.88	382.53	7.08	-72.80
CC(NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1C[N@H+](C)CCO1	REAL300013779167	1	50	0.0	-85.68	369.72	7.61	-78.07
CC(NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1C[N@@H+](C)CCO1	REAL300013779167	1	50	0.0	-84.67	376.86	8.04	-76.63
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC(C)C2C[N@H+](C)CCO2)CCO1	REAL300013779168	1	57	0.0	-79.93	424.70	4.99	-74.94
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC(C)C2C[N@@H+](C)CCO2)CCO1	REAL300013779168	1	57	0.0	-78.56	432.99	5.73	-72.83
CC(NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1C[N@H+](C)CCO1	REAL300013779169	1	47	0.0	-71.01	354.60	4.39	-66.62
CC(NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1C[N@@H+](C)CCO1	REAL300013779169	1	47	0.0	-73.45	354.26	4.30	-69.15
CC(NC(=O)N1CC(C(=O)[O-])CCC1C)C1C[N@H+](C)CCO1	REAL300013779170	1	49	0.0	-65.49	350.05	5.79	-59.70
CC(NC(=O)N1CC(C(=O)[O-])CCC1C)C1C[N@@H+](C)CCO1	REAL300013779170	1	49	0.0	-62.94	352.80	6.23	-56.71
CC(NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1C[N@H+](C)CCO1	REAL300013779171	1	53	0.0	-58.89	397.05	8.22	-50.67
CC(NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1C[N@@H+](C)CCO1	REAL300013779171	1	53	0.0	-66.62	404.78	9.17	-57.45
CC(NC(=O)N1CCCC(O)(C(=O)[O-])C1)C1C[N@H+](C)CCO1	REAL300013779172	1	47	0.0	-78.71	345.67	3.22	-75.49
CC(NC(=O)N1CCCC(O)(C(=O)[O-])C1)C1C[N@@H+](C)CCO1	REAL300013779172	1	47	0.0	-78.47	352.93	3.62	-74.85
CC(NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1C[N@H+](C)CCO1	REAL300013779173	1	50	0.0	-73.99	376.80	6.25	-67.74
CC(NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1C[N@@H+](C)CCO1	REAL300013779173	1	50	0.0	-74.05	378.68	6.31	-67.74
CC(NC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1C[N@H+](C)CCO1	REAL300013779174	1	53	0.0	-91.98	393.79	5.47	-86.51
CC(NC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1C[N@@H+](C)CCO1	REAL300013779174	1	53	0.0	-95.07	394.95	5.93	-89.14
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C2C[N@H+](C)CCO2)CC1	REAL300013779175	1	53	0.0	-81.43	387.53	6.24	-75.19
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C2C[N@@H+](C)CCO2)CC1	REAL300013779175	1	53	0.0	-82.29	386.99	5.04	-77.25
CC(NC(=O)NCC1(CC(=O)[O-])CCCCC1)C1C[N@H+](C)CCO1	REAL300013779176	1	55	0.0	-67.00	390.66	6.39	-60.61
CC(NC(=O)NCC1(CC(=O)[O-])CCCCC1)C1C[N@@H+](C)CCO1	REAL300013779176	1	55	0.0	-72.24	388.92	5.95	-66.29
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1C[N@H+](C)CCO1	REAL300013779177	1	49	0.0	-65.33	356.25	5.35	-59.98
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1C[N@@H+](C)CCO1	REAL300013779177	1	49	0.0	-71.75	364.82	5.82	-65.93
CC(NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1C[N@H+](C)CCO1	REAL300013779178	1	52	0.0	-79.43	380.58	5.25	-74.18
CC(NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1C[N@@H+](C)CCO1	REAL300013779178	1	52	0.0	-77.76	388.99	6.12	-71.64
CC(NC(=O)N1CCC(CC(=O)[O-])CC1)C1C[N@H+](C)CCO1	REAL300013779179	1	49	0.0	-77.65	359.78	6.30	-71.35
CC(NC(=O)N1CCC(CC(=O)[O-])CC1)C1C[N@@H+](C)CCO1	REAL300013779179	1	49	0.0	-77.54	361.02	6.73	-70.81
CC(NC(=O)N1CCC(OCC(=O)[O-])CC1)C1C[N@H+](C)CCO1	REAL300013779180	1	50	0.0	-79.86	376.44	5.71	-74.15
CC(NC(=O)N1CCC(OCC(=O)[O-])CC1)C1C[N@@H+](C)CCO1	REAL300013779180	1	50	0.0	-80.31	376.41	5.67	-74.64
CC(NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1C[N@H+](C)CCO1	REAL300013779181	1	49	0.0	-73.93	367.54	4.92	-69.01
CC(NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1C[N@@H+](C)CCO1	REAL300013779181	1	49	0.0	-74.85	360.84	4.51	-70.34
CC(NC(=O)NC1CCCC(C(=O)[O-])C1)C1C[N@H+](C)CCO1	REAL300013779182	1	49	0.0	-73.32	363.66	5.36	-67.96
CC(NC(=O)NC1CCCC(C(=O)[O-])C1)C1C[N@@H+](C)CCO1	REAL300013779182	1	49	0.0	-71.06	368.72	5.37	-65.69
CC(NC(=O)NCC1(C(=O)[O-])CCCOC1)C1C[N@H+](C)CCO1	REAL300013779183	1	50	0.0	-68.19	368.59	3.41	-64.78
CC(NC(=O)NCC1(C(=O)[O-])CCCOC1)C1C[N@@H+](C)CCO1	REAL300013779183	1	50	0.0	-65.44	368.60	3.41	-62.03
CC(NC(=O)NCC1(C(=O)[O-])CCOC1)C1C[N@H+](C)CCO1	REAL300013779184	1	47	0.0	-68.18	357.34	2.66	-65.52
CC(NC(=O)NCC1(C(=O)[O-])CCOC1)C1C[N@@H+](C)CCO1	REAL300013779184	1	47	0.0	-71.60	357.35	2.66	-68.94
CC(NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C1C[N@H+](C)CCO1	REAL300013779185	1	58	0.0	-78.43	440.06	7.63	-70.80
CC(NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C1C[N@@H+](C)CCO1	REAL300013779185	1	58	0.0	-77.50	441.87	8.09	-69.41
CC(NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1C[N@H+](C)CCO1	REAL300013779186	1	50	0.0	-70.79	363.91	6.04	-64.75
CC(NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1C[N@@H+](C)CCO1	REAL300013779186	1	50	0.0	-67.33	372.27	6.91	-60.42
CC(NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1C[N@H+](C)CCO1	REAL300013779187	1	46	0.0	-72.65	354.18	5.02	-67.63
CC(NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1C[N@@H+](C)CCO1	REAL300013779187	1	46	0.0	-65.49	363.38	5.91	-59.58
CC(NC(=O)N1CCOC(C)(C(=O)[O-])C1)C1C[N@H+](C)CCO1	REAL300013779188	1	47	0.0	-81.07	349.90	4.84	-76.23
CC(NC(=O)N1CCOC(C)(C(=O)[O-])C1)C1C[N@@H+](C)CCO1	REAL300013779188	1	47	0.0	-80.13	351.19	5.31	-74.82
COC1CC(C(=O)[O-])CN(C(=O)NC(C)C2C[N@H+](C)CCO2)C1	REAL300013779189	1	50	0.0	-69.32	366.09	4.29	-65.03
COC1CC(C(=O)[O-])CN(C(=O)NC(C)C2C[N@@H+](C)CCO2)C1	REAL300013779189	1	50	0.0	-67.08	365.41	4.28	-62.80
CC(NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C1C[N@H+](C)CCO1	REAL300013779190	1	55	0.0	-82.51	422.42	4.62	-77.89
CC(NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C1C[N@@H+](C)CCO1	REAL300013779190	1	55	0.0	-87.97	421.85	4.64	-83.33
CC1(C)CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=CC=C21	REAL300013779222	1	52	0.0	-36.57	393.19	8.70	-27.87
CC(C)C1CCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013779294	1	57	0.0	-39.46	403.72	8.11	-31.35
CCCOC1=CC=CC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013779365	1	55	0.0	-42.82	427.50	8.07	-34.75
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=CC(Cl)=C2)C2CCCC2)CC1	REAL300013779439	1	55	0.0	-36.79	420.65	9.94	-26.85
CC1=NC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013779508	1	44	0.0	-43.78	361.35	5.00	-38.78
O=C([O-])C[NH+]1CCC(NC(=O)NC2C3CCC4=CC=CC=C4C32)CC1	REAL300013779575	1	50	0.0	-35.18	378.86	9.22	-25.96
C=CCCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013779756	1	52	0.0	-36.34	407.53	9.63	-26.71
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(CC3=CC=CC=C3)CC2)CC1	REAL300013779831	1	52	0.0	-36.94	404.10	8.96	-27.98
O=C([O-])C[NH+]1CCC(NC(=O)NCCNS(=O)(=O)C2=CC=CN=C2)CC1	REAL300013779958	1	49	0.0	-45.59	403.98	0.81	-44.78
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013779994	0	54	0.0	-73.71	390.50	9.32	-64.39
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013779994	1	54	0.0	-70.53	383.70	9.28	-61.25
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013779995	0	54	0.0	-74.49	406.29	8.85	-65.64
CC(C)C[N@H+]1CCCC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013779995	1	54	0.0	-75.99	413.14	8.89	-67.10
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013779996	0	52	0.0	-64.34	374.62	7.21	-57.13
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013779996	1	52	0.0	-62.85	375.32	7.67	-55.18
CC(C)C[N@@H+]1CCCC(CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013779997	0	57	0.0	-77.56	416.08	8.59	-68.97
CC(C)C[N@H+]1CCCC(CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013779997	1	57	0.0	-77.64	408.51	8.10	-69.54
CC(C)C[N@@H+]1CCCC(CNC(=O)NCCCCC(=O)[O-])C1	REAL300013779998	0	53	0.0	-75.35	397.18	7.57	-67.78
CC(C)C[N@H+]1CCCC(CNC(=O)NCCCCC(=O)[O-])C1	REAL300013779998	1	53	0.0	-75.50	389.61	7.10	-68.40
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013779999	0	54	0.0	-76.16	413.18	8.87	-67.29
CC(C)C[N@H+]1CCCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013779999	1	54	0.0	-76.77	405.88	8.40	-68.37
CC(C)C[N@@H+]1CCCC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013780000	0	56	0.0	-73.82	418.41	8.34	-65.48
CC(C)C[N@H+]1CCCC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013780000	1	56	0.0	-74.38	411.11	7.87	-66.51
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013780001	0	53	0.0	-75.20	389.35	7.44	-67.76
CC(C)C[N@H+]1CCCC(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013780001	1	53	0.0	-72.41	382.46	7.40	-65.01
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013780002	0	54	0.0	-76.61	393.59	8.91	-67.70
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013780002	1	54	0.0	-70.69	386.99	8.88	-61.81
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300013780003	0	57	0.0	-78.55	411.28	9.87	-68.68
CC(C)C[N@H+]1CCCC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300013780003	1	57	0.0	-59.79	398.65	10.04	-49.75
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013780004	0	57	0.0	-72.23	395.85	9.51	-62.72
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013780004	1	57	0.0	-72.61	395.77	9.53	-63.08
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013780005	0	57	0.0	-77.39	405.08	9.71	-67.68
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013780005	1	57	0.0	-59.40	392.86	9.46	-49.94
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013780006	0	58	0.0	-65.36	415.77	6.95	-58.41
CC(C)C[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013780006	1	58	0.0	-65.37	408.20	6.48	-58.89
CC(C)C[N@@H+]1CCCC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013780007	0	56	0.0	-70.81	408.70	7.66	-63.15
CC(C)C[N@H+]1CCCC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013780007	1	56	0.0	-71.41	401.40	7.19	-64.22
CCC(CC)(CNC(=O)NCC1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300013780008	0	59	0.0	-63.88	414.09	8.43	-55.45
CCC(CC)(CNC(=O)NCC1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300013780008	1	59	0.0	-65.46	421.00	8.46	-57.00
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013780009	0	56	0.0	-65.11	404.55	7.91	-57.20
CC(C)C[N@H+]1CCCC(CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013780009	1	56	0.0	-62.09	396.53	7.99	-54.10
CC(C)C[N@@H+]1CCCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013780010	0	63	0.0	-76.21	448.92	9.46	-66.75
CC(C)C[N@H+]1CCCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013780010	1	63	0.0	-75.74	449.93	9.49	-66.25
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013780011	0	60	0.0	-64.58	437.68	10.06	-54.52
CC(C)C[N@H+]1CCCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013780011	1	60	0.0	-63.06	433.49	10.26	-52.80
CC(C)C[N@@H+]1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013780012	0	54	0.0	-70.07	396.86	8.06	-62.01
CC(C)C[N@H+]1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013780012	1	54	0.0	-68.91	389.90	7.93	-60.98
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013780013	0	60	0.0	-73.85	429.81	10.71	-63.14
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013780013	1	60	0.0	-72.37	422.99	10.68	-61.69
CC(C)C[N@@H+]1CCCC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013780014	0	56	0.0	-69.58	399.95	7.51	-62.07
CC(C)C[N@H+]1CCCC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013780014	1	56	0.0	-74.42	407.53	7.43	-66.99
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013780015	0	57	0.0	-65.56	414.20	8.83	-56.73
CC(C)C[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013780015	1	57	0.0	-63.59	406.98	8.78	-54.81
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013780016	0	57	0.0	-73.67	408.98	9.81	-63.86
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013780016	1	57	0.0	-68.44	398.46	9.67	-58.77
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013780017	0	54	0.0	-63.61	396.16	8.14	-55.47
CC(C)C[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013780017	1	54	0.0	-61.99	388.97	8.11	-53.88
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013780018	0	57	0.0	-74.50	421.22	8.86	-65.64
CC(C)C[N@H+]1CCCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013780018	1	57	0.0	-67.32	418.89	8.81	-58.51
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013780019	0	57	0.0	-72.23	395.85	9.51	-62.72
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013780019	1	57	0.0	-72.61	395.77	9.53	-63.08
CC(C)C[C@H](CNC(=O)NCC1CCC[N@H+](CC(C)C)C1)CC(=O)[O-]	REAL300013780020	0	62	0.0	-68.00	434.89	9.19	-58.81
CC(C)C[C@H](CNC(=O)NCC1CCC[N@@H+](CC(C)C)C1)CC(=O)[O-]	REAL300013780020	1	62	0.0	-67.85	434.66	9.09	-58.76
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013780021	0	54	0.0	-69.93	406.79	8.98	-60.95
CC(C)C[N@H+]1CCCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013780021	1	54	0.0	-68.20	399.90	8.95	-59.25
COCC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@H+](CC(C)C)C2)C1	REAL300013780022	0	58	0.0	-73.62	425.86	8.63	-64.99
COCC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@@H+](CC(C)C)C2)C1	REAL300013780022	1	58	0.0	-78.90	426.80	8.01	-70.89
CC(C)C[N@@H+]1CCCC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013780023	0	51	0.0	-70.76	380.69	7.35	-63.41
CC(C)C[N@H+]1CCCC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013780023	1	51	0.0	-70.32	380.59	7.32	-63.00
CC(C)C[N@@H+]1CCCC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013780024	0	59	0.0	-72.03	421.57	6.33	-65.70
CC(C)C[N@H+]1CCCC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013780024	1	59	0.0	-72.46	421.57	6.33	-66.13
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013780025	0	54	0.0	-74.30	383.10	9.24	-65.06
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013780025	1	54	0.0	-59.95	382.50	9.20	-50.75
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013780026	0	54	0.0	-61.34	389.77	9.26	-52.08
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013780026	1	54	0.0	-61.36	390.54	9.26	-52.10
CC(C)C[N@@H+]1CCCC(CNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013780027	0	51	0.0	-68.55	374.02	7.30	-61.25
CC(C)C[N@H+]1CCCC(CNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013780027	1	51	0.0	-72.79	373.13	6.94	-65.85
CC(C)C[N@@H+]1CCCC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013780028	0	51	0.0	-72.57	380.60	7.39	-65.18
CC(C)C[N@H+]1CCCC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013780028	1	51	0.0	-72.74	380.66	7.39	-65.35
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013780029	0	54	0.0	-76.16	413.18	8.87	-67.29
CC(C)C[N@H+]1CCCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013780029	1	54	0.0	-76.77	405.88	8.40	-68.37
CCC(CNC(=O)NCC1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300013780030	0	53	0.0	-62.27	382.61	7.62	-54.65
CCC(CNC(=O)NCC1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300013780030	1	53	0.0	-62.02	382.61	7.63	-54.39
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013780031	0	60	0.0	-80.16	415.83	10.16	-70.00
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013780031	1	60	0.0	-74.92	416.92	10.61	-64.31
CC(C)C[N@@H+]1CCCC(CNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013780032	0	62	0.0	-75.84	461.40	9.90	-65.94
CC(C)C[N@H+]1CCCC(CNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013780032	1	62	0.0	-76.32	454.11	9.43	-66.89
CC(C)C[N@@H+]1CCCC(CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013780033	0	59	0.0	-76.88	440.18	9.13	-67.75
CC(C)C[N@H+]1CCCC(CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013780033	1	59	0.0	-77.07	432.61	8.65	-68.42
CC(C)C[N@@H+]1CCCC(CNC(=O)N(C)CCCC(=O)[O-])C1	REAL300013780034	0	53	0.0	-75.44	393.31	9.17	-66.27
CC(C)C[N@H+]1CCCC(CNC(=O)N(C)CCCC(=O)[O-])C1	REAL300013780034	1	53	0.0	-74.44	393.04	9.15	-65.29
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013780035	0	57	0.0	-78.54	404.89	9.99	-68.55
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013780035	1	57	0.0	-78.87	405.62	9.99	-68.88
COCC1(C(=O)[O-])CCCN(C(=O)NCC2CCC[N@H+](CC(C)C)C2)C1	REAL300013780036	0	61	0.0	-78.32	428.65	9.90	-68.42
COCC1(C(=O)[O-])CCCN(C(=O)NCC2CCC[N@@H+](CC(C)C)C2)C1	REAL300013780036	1	61	0.0	-82.55	436.92	9.16	-73.39
COCCN(CCC(=O)[O-])C(=O)NCC1CCC[N@H+](CC(C)C)C1	REAL300013780037	0	57	0.0	-60.88	417.43	8.06	-52.82
COCCN(CCC(=O)[O-])C(=O)NCC1CCC[N@@H+](CC(C)C)C1	REAL300013780037	1	57	0.0	-59.98	424.72	8.51	-51.47
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013780038	0	60	0.0	-77.88	429.98	10.69	-67.19
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013780038	1	60	0.0	-74.46	423.29	10.66	-63.80
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013780039	0	58	0.0	-80.51	422.44	12.01	-68.50
CC(C)C[N@H+]1CCCC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013780039	1	58	0.0	-75.22	415.66	11.98	-63.24
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013780040	0	55	0.0	-69.14	395.11	7.99	-61.15
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013780040	1	55	0.0	-68.70	395.17	7.93	-60.77
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013780041	0	57	0.0	-61.22	397.01	9.39	-51.83
CC(C)C[N@H+]1CCCC(CNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013780041	1	57	0.0	-59.32	397.09	9.81	-49.51
CC(C)C[N@@H+]1CCCC(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013780042	0	61	0.0	-66.79	443.65	11.34	-55.45
CC(C)C[N@H+]1CCCC(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013780042	1	61	0.0	-64.23	443.98	11.77	-52.46
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013780043	0	55	0.0	-75.42	399.44	6.81	-68.61
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013780043	1	55	0.0	-72.26	392.79	6.81	-65.45
CC(C)C[N@@H+]1CCCC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013780044	0	58	0.0	-72.68	433.13	10.01	-62.67
CC(C)C[N@H+]1CCCC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013780044	1	58	0.0	-69.74	424.18	9.91	-59.83
CC(C)C[N@@H+]1CCCC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013780045	0	61	0.0	-85.31	441.48	9.11	-76.20
CC(C)C[N@H+]1CCCC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013780045	1	61	0.0	-84.69	441.78	9.11	-75.58
COCC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@H+](CC(C)C)C2)CC1	REAL300013780046	0	61	0.0	-73.23	426.61	9.41	-63.82
COCC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@@H+](CC(C)C)C2)CC1	REAL300013780046	1	61	0.0	-73.54	427.72	8.65	-64.89
CC(C)C[N@@H+]1CCCC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013780047	0	52	0.0	-76.77	390.62	7.57	-69.20
CC(C)C[N@H+]1CCCC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013780047	1	52	0.0	-74.09	383.70	7.55	-66.54
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013780048	0	63	0.0	-67.98	436.66	9.53	-58.45
CC(C)C[N@H+]1CCCC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013780048	1	63	0.0	-72.44	429.83	9.50	-62.94
CC(C)C[N@@H+]1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013780049	0	57	0.0	-68.39	411.39	9.02	-59.37
CC(C)C[N@H+]1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013780049	1	57	0.0	-66.71	403.21	8.92	-57.79
CC(C)C[N@@H+]1CCCC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013780050	0	60	0.0	-75.66	426.97	8.77	-66.89
CC(C)C[N@H+]1CCCC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013780050	1	60	0.0	-76.00	435.85	9.28	-66.72
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013780051	0	57	0.0	-67.51	407.61	9.93	-57.58
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013780051	1	57	0.0	-72.10	400.66	9.90	-62.20
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013780052	0	58	0.0	-75.33	424.06	9.33	-66.00
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013780052	1	58	0.0	-73.21	417.30	9.30	-63.91
CC(C)C[N@@H+]1CCCC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013780053	0	57	0.0	-71.51	415.81	8.56	-62.95
CC(C)C[N@H+]1CCCC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013780053	1	57	0.0	-71.72	415.56	8.58	-63.14
CC(C)C[N@@H+]1CCCC(CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013780054	0	57	0.0	-69.24	411.38	8.99	-60.25
CC(C)C[N@H+]1CCCC(CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013780054	1	57	0.0	-67.20	403.93	8.96	-58.24
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013780055	0	58	0.0	-63.24	417.74	7.14	-56.10
CC(C)C[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013780055	1	58	0.0	-66.58	413.64	7.47	-59.11
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013780056	0	55	0.0	-65.09	402.83	6.12	-58.97
CC(C)C[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013780056	1	55	0.0	-62.43	395.54	6.06	-56.37
CC(C)C[N@@H+]1CCCC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013780057	0	52	0.0	-71.06	392.37	8.06	-63.00
CC(C)C[N@H+]1CCCC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013780057	1	52	0.0	-71.55	392.53	8.08	-63.47
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013780058	0	51	0.0	-62.09	381.05	7.72	-54.37
CC(C)C[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013780058	1	51	0.0	-60.92	374.17	7.68	-53.24
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013780059	0	58	0.0	-66.90	411.43	9.63	-57.27
CC(C)C[N@H+]1CCCC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013780059	1	58	0.0	-65.12	411.98	10.05	-55.07
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013780060	0	54	0.0	-67.16	407.53	9.06	-58.10
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013780060	1	54	0.0	-65.69	403.06	9.06	-56.63
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013780061	0	55	0.0	-78.54	397.75	8.50	-70.04
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013780061	1	55	0.0	-78.54	397.80	8.49	-70.05
COC1CC(C(=O)[O-])CN(C(=O)NCC2CCC[N@H+](CC(C)C)C2)C1	REAL300013780062	0	58	0.0	-63.94	414.33	7.91	-56.03
COC1CC(C(=O)[O-])CN(C(=O)NCC2CCC[N@@H+](CC(C)C)C2)C1	REAL300013780062	1	58	0.0	-77.17	422.61	8.25	-68.92
CC(C)C[N@@H+]1CCCC(CNC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013780063	0	51	0.0	-73.66	368.94	7.88	-65.78
CC(C)C[N@H+]1CCCC(CNC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013780063	1	51	0.0	-70.73	369.61	8.31	-62.42
CC(C)C[N@@H+]1CCCC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013780064	0	52	0.0	-74.47	384.68	8.05	-66.42
CC(C)C[N@H+]1CCCC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013780064	1	52	0.0	-77.24	384.02	7.62	-69.62
CC(C)C[N@@H+]1CCCC(CNC(=O)NC(C)CCC(=O)[O-])C1	REAL300013780065	0	53	0.0	-68.57	395.44	7.81	-60.76
CC(C)C[N@H+]1CCCC(CNC(=O)NC(C)CCC(=O)[O-])C1	REAL300013780065	1	53	0.0	-66.37	388.28	7.76	-58.61
CCNC(=O)C(C)(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013780090	1	51	0.0	-43.68	387.25	3.87	-39.81
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCN(CC(F)(F)F)C2=O)CC1	REAL300013780203	1	49	0.0	-45.22	386.55	5.29	-39.93
CC1=NN(C2=CC=CC=C2)C(CC(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013780271	1	58	0.0	-45.19	450.24	9.32	-35.87
COC1=CC2=C(C=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC(C)C2	REAL300013780335	1	54	0.0	-38.00	418.58	6.20	-31.80
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(SC3=CC=CC=C3)C=C2)CC1	REAL300013780403	1	53	0.0	-37.68	433.21	10.35	-27.33
O=C([O-])C[NH+]1CCC(NC(=O)NCCNS(=O)(=O)C2=CC=CS2)CC1	REAL300013780465	1	47	0.0	-43.19	400.93	1.59	-41.60
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=NC=CC=C2C(F)(F)F)CC1	REAL300013780531	1	48	0.0	-43.50	397.82	4.36	-39.14
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=NC=CC=C2F)CC1	REAL300013780594	1	45	0.0	-43.40	366.39	3.37	-40.03
COC1CCCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013780645	1	49	0.0	-39.76	367.93	4.96	-34.80
COC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCOCC1	REAL300013780703	1	50	0.0	-36.53	369.48	3.19	-33.34
CCC(CC)C(CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)OC	REAL300013780772	1	57	0.0	-36.20	413.49	6.14	-30.06
CC(C)(CO)C(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013780850	1	58	0.0	-40.40	421.76	6.53	-33.87
N#CCCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013780973	1	49	0.0	-39.24	385.32	7.99	-31.25
CN1C=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300013781050	1	45	0.0	-41.34	375.67	5.14	-36.20
CC1=NN(C)C=C1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013781113	1	48	0.0	-46.04	378.17	5.39	-40.65
O=C([O-])C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H]2C2=CC=CC=C2OC(F)F)CC1	REAL300013781181	1	50	0.0	-44.31	398.50	7.28	-37.03
O=C([O-])C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C3=CC=C(C(F)(F)F)C=C3)C2)CC1	REAL300013781247	1	52	0.0	-42.40	415.26	9.20	-33.20
O=C([O-])C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C3=CC=CC=C3F)C2)CC1	REAL300013781309	1	49	0.0	-40.88	381.61	8.23	-32.65
O=C([O-])C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C3=CC=CC=C3)C2)CC1	REAL300013781380	1	49	0.0	-40.86	376.50	8.20	-32.66
O=C([O-])C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C3=CC=CC(F)=C3)C2)CC1	REAL300013781451	1	49	0.0	-42.66	382.90	8.27	-34.39
O=C([O-])C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C3=CC=CC(C(F)(F)F)=C3)C2)CC1	REAL300013781522	1	52	0.0	-41.76	415.23	9.19	-32.57
C=C(C)C1OCCC1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013781573	1	50	0.0	-37.46	382.03	5.45	-32.01
CSC1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013781640	1	49	0.0	-42.93	394.47	8.04	-34.89
CCC1=CC=NC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013781729	1	47	0.0	-36.64	371.08	5.85	-30.79
O=C([O-])C1CCN(C(=O)NCC2CCC[N@@H+]2C2CCCCC2)CC1	REAL300013781765	0	55	0.0	-71.94	382.39	8.92	-63.02
O=C([O-])C1CCN(C(=O)NCC2CCC[N@H+]2C2CCCCC2)CC1	REAL300013781765	1	55	0.0	-67.48	382.14	9.29	-58.19
O=C([O-])C1=CC=C(CNC(=O)NCC2CCC[N@@H+]2C2CCCCC2)C=C1	REAL300013781766	0	55	0.0	-74.28	412.46	8.79	-65.49
O=C([O-])C1=CC=C(CNC(=O)NCC2CCC[N@H+]2C2CCCCC2)C=C1	REAL300013781766	1	55	0.0	-72.21	406.18	9.49	-62.72
O=C([O-])C1CN(C(=O)NCC2CCC[N@@H+]2C2CCCCC2)CCO1	REAL300013781767	0	53	0.0	-75.69	374.01	7.29	-68.40
O=C([O-])C1CN(C(=O)NCC2CCC[N@H+]2C2CCCCC2)CCO1	REAL300013781767	1	53	0.0	-77.42	370.64	8.50	-68.92
O=C([O-])C1CCC(NC(=O)NCC2CCC[N@@H+]2C2CCCCC2)CC1	REAL300013781768	0	58	0.0	-65.64	409.35	8.83	-56.81
O=C([O-])C1CCC(NC(=O)NCC2CCC[N@H+]2C2CCCCC2)CC1	REAL300013781768	1	58	0.0	-72.92	407.48	9.16	-63.76
O=C([O-])CCCCNC(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300013781769	0	54	0.0	-73.05	388.64	7.14	-65.91
O=C([O-])CCCCNC(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300013781769	1	54	0.0	-73.91	385.47	8.37	-65.54
O=C([O-])C1=CC(CNC(=O)NCC2CCC[N@@H+]2C2CCCCC2)=CC=C1	REAL300013781770	0	55	0.0	-73.46	404.91	8.46	-65.00
O=C([O-])C1=CC(CNC(=O)NCC2CCC[N@H+]2C2CCCCC2)=CC=C1	REAL300013781770	1	55	0.0	-73.88	401.74	9.67	-64.21
O=C([O-])CCCCCNC(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300013781771	0	57	0.0	-71.89	410.14	7.93	-63.96
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CC1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013781966	1	58	0.0	-67.52	435.79	10.20	-57.32
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COCC1(C(=O)[O-])CCCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1	REAL300013783040	0	65	0.0	-83.50	447.30	10.14	-73.36
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CC1CCC(C(=O)[O-])CN1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1	REAL300013783045	0	61	0.0	-61.18	417.10	10.18	-51.00
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COCC1(C(=O)[O-])CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1	REAL300013783048	0	65	0.0	-79.71	445.29	8.99	-70.72
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O=C([O-])C1CN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC12CCC2	REAL300013783061	0	62	0.0	-67.00	429.44	10.39	-56.61
CC1(C(=O)[O-])CN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCO1	REAL300013783062	0	59	0.0	-80.67	408.80	8.85	-71.82
O=C([O-])C1CN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1	REAL300013783063	0	52	0.0	-67.11	372.69	7.90	-59.21
COC1CC(C(=O)[O-])CN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1	REAL300013783064	0	62	0.0	-61.28	433.27	8.58	-52.70
O=C([O-])C1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1	REAL300013783065	0	55	0.0	-75.32	387.57	8.70	-66.62
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC[NH+]1CCC3(CCCCC3)CC1)C2	REAL300013783066	0	56	0.0	-78.83	402.33	8.43	-70.40
CC(CCC(=O)[O-])NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1	REAL300013783067	0	57	0.0	-69.43	406.20	8.14	-61.29
C[N@@H+]1CCN(CCNC(=O)N2CCC(C(=O)[O-])CC2)CC1(C)C	REAL300013783068	0	53	0.0	-68.35	372.41	5.49	-62.86
C[N@H+]1CCN(CCNC(=O)N2CCC(C(=O)[O-])CC2)CC1(C)C	REAL300013783068	1	53	0.0	-69.19	374.92	5.68	-63.51
C[N@@H+]1CCN(CCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1(C)C	REAL300013783069	0	53	0.0	-72.73	396.50	5.15	-67.58
C[N@H+]1CCN(CCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1(C)C	REAL300013783069	1	53	0.0	-74.27	400.15	5.47	-68.80
C[N@@H+]1CCN(CCNC(=O)N2CCOC(C(=O)[O-])C2)CC1(C)C	REAL300013783070	0	51	0.0	-62.43	365.42	3.95	-58.48
C[N@H+]1CCN(CCNC(=O)N2CCOC(C(=O)[O-])C2)CC1(C)C	REAL300013783070	1	51	0.0	-63.22	368.08	4.17	-59.05
C[N@@H+]1CCN(CCNC(=O)NC2CCC(C(=O)[O-])CC2)CC1(C)C	REAL300013783071	0	56	0.0	-72.04	399.14	4.84	-67.20
C[N@H+]1CCN(CCNC(=O)NC2CCC(C(=O)[O-])CC2)CC1(C)C	REAL300013783071	1	56	0.0	-74.88	402.78	5.15	-69.73
C[N@@H+]1CCN(CCNC(=O)NCCCCC(=O)[O-])CC1(C)C	REAL300013783072	0	52	0.0	-70.40	380.24	3.82	-66.58
C[N@H+]1CCN(CCNC(=O)NCCCCC(=O)[O-])CC1(C)C	REAL300013783072	1	52	0.0	-72.24	382.75	3.99	-68.25
C[N@@H+]1CCN(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1(C)C	REAL300013783073	0	53	0.0	-72.47	396.51	5.14	-67.33
C[N@H+]1CCN(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1(C)C	REAL300013783073	1	53	0.0	-73.89	400.16	5.46	-68.43
C[N@@H+]1CCN(CCNC(=O)NCCCCCC(=O)[O-])CC1(C)C	REAL300013783074	0	55	0.0	-69.89	401.74	4.60	-65.29
C[N@H+]1CCN(CCNC(=O)NCCCCCC(=O)[O-])CC1(C)C	REAL300013783074	1	55	0.0	-71.37	404.25	4.78	-66.59
C[N@@H+]1CCN(CCNC(=O)NCC(C)(C)C(=O)[O-])CC1(C)C	REAL300013783075	0	52	0.0	-70.05	372.68	3.70	-66.35
C[N@H+]1CCN(CCNC(=O)NCC(C)(C)C(=O)[O-])CC1(C)C	REAL300013783075	1	52	0.0	-72.14	375.19	3.88	-68.26
C[N@@H+]1CCN(CCNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1(C)C	REAL300013783076	0	53	0.0	-71.64	381.92	5.40	-66.24
C[N@H+]1CCN(CCNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1(C)C	REAL300013783076	1	53	0.0	-70.14	379.67	5.40	-64.74
CC1CC(C(=O)[O-])CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1	REAL300013783077	0	56	0.0	-60.30	396.09	6.26	-54.04
CC1CC(C(=O)[O-])CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1	REAL300013783077	1	56	0.0	-60.16	394.24	6.10	-54.06
C[N@@H+]1CCN(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1(C)C	REAL300013783078	0	56	0.0	-71.64	390.32	6.15	-65.49
C[N@H+]1CCN(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1(C)C	REAL300013783078	1	56	0.0	-72.63	389.16	6.00	-66.63
C[N@@H+]1CCN(CCNC(=O)NCCCC(=O)[O-])CC1(C)C	REAL300013783079	0	49	0.0	-66.28	358.74	3.04	-63.24
C[N@H+]1CCN(CCNC(=O)NCCCC(=O)[O-])CC1(C)C	REAL300013783079	1	49	0.0	-67.76	361.25	3.21	-64.55
CC1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1C(=O)[O-]	REAL300013783080	0	56	0.0	-74.85	386.23	5.91	-68.94
CC1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1C(=O)[O-]	REAL300013783080	1	56	0.0	-76.36	387.39	6.06	-70.30
C[N@@H+]1CCN(CCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1(C)C	REAL300013783081	0	57	0.0	-62.38	398.83	3.20	-59.18
C[N@H+]1CCN(CCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1(C)C	REAL300013783081	1	57	0.0	-62.17	403.47	3.34	-58.83
C[N@@H+]1CCN(CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1(C)C	REAL300013783082	0	55	0.0	-67.44	391.45	3.92	-63.52
C[N@H+]1CCN(CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1(C)C	REAL300013783082	1	55	0.0	-68.79	393.96	4.08	-64.71
CCC(CC)(CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300013783083	0	58	0.0	-65.73	406.84	4.90	-60.83
CCC(CC)(CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300013783083	1	58	0.0	-63.67	404.34	4.72	-58.95
CC(CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300013783084	0	49	0.0	-70.20	357.42	3.15	-67.05
CC(CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300013783084	1	49	0.0	-68.64	355.79	3.00	-65.64
CC(C)C(CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300013783085	0	55	0.0	-64.60	397.03	4.37	-60.23
CC(C)C(CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300013783085	1	55	0.0	-64.22	394.53	4.20	-60.02
CC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013783086	0	62	0.0	-76.16	435.18	5.92	-70.24
CC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013783086	1	62	0.0	-74.62	435.20	5.91	-68.71
C[N@@H+]1CCN(CCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300013783087	0	59	0.0	-64.63	427.61	6.36	-58.27
C[N@H+]1CCN(CCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300013783087	1	59	0.0	-64.97	426.21	6.73	-58.24
C[N@@H+]1CCN(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1(C)C	REAL300013783088	0	53	0.0	-66.21	382.66	4.46	-61.75
C[N@H+]1CCN(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1(C)C	REAL300013783088	1	53	0.0	-66.19	382.70	4.48	-61.71
C[N@@H+]1CCN(CCNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1(C)C	REAL300013783089	0	59	0.0	-69.89	413.26	6.98	-62.91
C[N@H+]1CCN(CCNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1(C)C	REAL300013783089	1	59	0.0	-70.68	415.77	7.16	-63.52
C[N@@H+]1CCN(CCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1(C)C	REAL300013783090	0	55	0.0	-69.88	390.59	3.67	-66.21
C[N@H+]1CCN(CCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1(C)C	REAL300013783090	1	55	0.0	-73.97	394.24	3.99	-69.98
C[N@@H+]1CCN(CCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1(C)C	REAL300013783091	0	56	0.0	-62.59	397.20	5.09	-57.50
C[N@H+]1CCN(CCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1(C)C	REAL300013783091	1	56	0.0	-63.50	399.71	5.27	-58.23
CC1CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCC1C(=O)[O-]	REAL300013783092	0	56	0.0	-71.69	395.64	6.29	-65.40
CC1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CCC1C(=O)[O-]	REAL300013783092	1	56	0.0	-74.01	396.81	6.44	-67.57
C[N@@H+]1CCN(CCNC(=O)NCC2(C(=O)[O-])CCC2)CC1(C)C	REAL300013783093	0	53	0.0	-61.57	381.29	4.81	-56.76
C[N@H+]1CCN(CCNC(=O)NCC2(C(=O)[O-])CCC2)CC1(C)C	REAL300013783093	1	53	0.0	-62.85	381.28	4.80	-58.05
C[N@@H+]1CCN(CCNC(=O)NCC(CC(=O)[O-])C2CC2)CC1(C)C	REAL300013783094	0	56	0.0	-69.29	404.25	5.03	-64.26
C[N@H+]1CCN(CCNC(=O)NCC(CC(=O)[O-])C2CC2)CC1(C)C	REAL300013783094	1	56	0.0	-72.16	406.76	5.20	-66.96
C[N@@H+]1CCN(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1(C)C	REAL300013783095	0	56	0.0	-71.64	390.32	6.15	-65.49
C[N@H+]1CCN(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1(C)C	REAL300013783095	1	56	0.0	-72.63	389.16	6.00	-66.63
CC(C)C[C@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)CC(=O)[O-]	REAL300013783096	0	61	0.0	-70.58	427.75	5.65	-64.93
CC(C)C[C@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)CC(=O)[O-]	REAL300013783096	1	61	0.0	-67.41	425.26	5.42	-61.99
C[N@@H+]1CCN(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1(C)C	REAL300013783097	0	53	0.0	-67.11	390.12	5.25	-61.86
C[N@H+]1CCN(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1(C)C	REAL300013783097	1	53	0.0	-69.31	393.79	5.54	-63.77
COCC1(C(=O)[O-])CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1	REAL300013783098	0	57	0.0	-75.84	410.54	4.92	-70.92
COCC1(C(=O)[O-])CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1	REAL300013783098	1	57	0.0	-72.94	411.75	5.22	-67.72
C[N@@H+]1CCN(CCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1(C)C	REAL300013783099	0	50	0.0	-69.32	367.85	3.94	-65.38
C[N@H+]1CCN(CCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1(C)C	REAL300013783099	1	50	0.0	-68.74	367.84	3.94	-64.80
C[N@@H+]1CCN(CCNC(=O)NC2CCN(CC(=O)[O-])CC2)CC1(C)C	REAL300013783100	0	58	0.0	-68.54	412.25	2.69	-65.85
C[N@H+]1CCN(CCNC(=O)NC2CCN(CC(=O)[O-])CC2)CC1(C)C	REAL300013783100	1	58	0.0	-69.95	414.76	2.86	-67.09
C[N@@H+]1CCN(CCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1(C)C	REAL300013783101	0	53	0.0	-61.58	377.05	5.85	-55.73
C[N@H+]1CCN(CCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1(C)C	REAL300013783101	1	53	0.0	-60.53	375.90	5.69	-54.84
C[N@@H+]1CCN(CCNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1(C)C	REAL300013783102	0	53	0.0	-75.75	377.57	5.88	-69.87
C[N@H+]1CCN(CCNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1(C)C	REAL300013783102	1	53	0.0	-75.14	377.54	5.88	-69.26
C[N@@H+]1CCN(CCNC(=O)NC2CC(C(=O)[O-])C2)CC1(C)C	REAL300013783103	0	50	0.0	-70.23	367.76	3.97	-66.26
C[N@H+]1CCN(CCNC(=O)NC2CC(C(=O)[O-])C2)CC1(C)C	REAL300013783103	1	50	0.0	-67.93	366.72	3.78	-64.15
C[N@@H+]1CCN(CCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1(C)C	REAL300013783104	0	50	0.0	-68.30	363.71	3.65	-64.65
C[N@H+]1CCN(CCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1(C)C	REAL300013783104	1	50	0.0	-70.27	367.34	3.97	-66.30
C[N@@H+]1CCN(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1(C)C	REAL300013783105	0	53	0.0	-72.47	396.51	5.14	-67.33
C[N@H+]1CCN(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1(C)C	REAL300013783105	1	53	0.0	-73.89	400.16	5.46	-68.43
CCC(CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300013783106	0	52	0.0	-63.43	375.24	3.98	-59.45
CCC(CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300013783106	1	52	0.0	-61.31	372.73	3.81	-57.50
C[N@@H+]1CCN(CCNC(=O)N2CCCCC2CCC(=O)[O-])CC1(C)C	REAL300013783107	0	59	0.0	-77.44	410.61	7.23	-70.21
C[N@H+]1CCN(CCNC(=O)N2CCCCC2CCC(=O)[O-])CC1(C)C	REAL300013783107	1	59	0.0	-77.74	410.59	7.22	-70.52
C[N@@H+]1CCN(CCNC(=O)NCCCCCCCC(=O)[O-])CC1(C)C	REAL300013783108	0	61	0.0	-71.74	444.74	6.16	-65.58
C[N@H+]1CCN(CCNC(=O)NCCCCCCCC(=O)[O-])CC1(C)C	REAL300013783108	1	61	0.0	-73.14	447.25	6.34	-66.80
C[N@@H+]1CCN(CCNC(=O)NCCCCCCC(=O)[O-])CC1(C)C	REAL300013783109	0	58	0.0	-71.98	423.24	5.38	-66.60
C[N@H+]1CCN(CCNC(=O)NCCCCCCC(=O)[O-])CC1(C)C	REAL300013783109	1	58	0.0	-73.68	425.75	5.56	-68.12
CN(CCCC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300013783110	0	52	0.0	-73.24	378.88	5.61	-67.63
CN(CCCC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300013783110	1	52	0.0	-70.23	376.37	5.43	-64.80
C[N@@H+]1CCN(CCNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1(C)C	REAL300013783111	0	56	0.0	-75.97	391.74	6.61	-69.36
C[N@H+]1CCN(CCNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1(C)C	REAL300013783111	1	56	0.0	-74.85	391.17	6.41	-68.44
COCC1(C(=O)[O-])CCCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1	REAL300013783112	0	60	0.0	-78.98	423.04	5.60	-73.38
COCC1(C(=O)[O-])CCCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1	REAL300013783112	1	60	0.0	-79.94	424.19	5.74	-74.20
COCCN(CCC(=O)[O-])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300013783113	0	56	0.0	-60.06	410.56	4.96	-55.10
COCCN(CCC(=O)[O-])C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300013783113	1	56	0.0	-60.00	408.06	4.79	-55.21
C[N@@H+]1CCN(CCNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1(C)C	REAL300013783114	0	59	0.0	-75.03	417.26	7.29	-67.74
C[N@H+]1CCN(CCNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1(C)C	REAL300013783114	1	59	0.0	-74.10	416.10	7.15	-66.95
C[N@@H+]1CCN(CCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1(C)C	REAL300013783115	0	57	0.0	-77.00	409.51	8.60	-68.40
C[N@H+]1CCN(CCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1(C)C	REAL300013783115	1	57	0.0	-77.05	409.10	8.22	-68.83
C[N@@H+]1CCN(CCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1(C)C	REAL300013783116	0	54	0.0	-66.45	389.40	4.60	-61.85
C[N@H+]1CCN(CCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1(C)C	REAL300013783116	1	54	0.0	-65.56	388.24	4.46	-61.10
CC1CCC(C(=O)[O-])CN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300013783117	0	56	0.0	-59.78	390.87	6.42	-53.36
CC1CCC(C(=O)[O-])CN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300013783117	1	56	0.0	-60.42	390.88	6.43	-53.99
C[N@@H+]1CCN(CCNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1(C)C	REAL300013783118	0	60	0.0	-63.55	434.17	8.08	-55.47
C[N@H+]1CCN(CCNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1(C)C	REAL300013783118	1	60	0.0	-64.42	437.83	8.40	-56.02
C[N@@H+]1CCN(CCNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1(C)C	REAL300013783119	0	54	0.0	-73.42	386.45	3.39	-70.03
C[N@H+]1CCN(CCNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1(C)C	REAL300013783119	1	54	0.0	-71.84	385.30	3.26	-68.58
C[N@@H+]1CCN(CCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1(C)C	REAL300013783120	0	57	0.0	-70.09	417.59	6.45	-63.64
C[N@H+]1CCN(CCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1(C)C	REAL300013783120	1	57	0.0	-69.33	416.93	6.38	-62.95
C[N@@H+]1CCN(CCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1(C)C	REAL300013783121	0	60	0.0	-86.15	428.48	5.69	-80.46
C[N@H+]1CCN(CCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1(C)C	REAL300013783121	1	60	0.0	-79.57	427.33	5.53	-74.04
COCC1(C(=O)[O-])CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1	REAL300013783122	0	60	0.0	-71.60	419.78	5.74	-65.86
COCC1(C(=O)[O-])CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1	REAL300013783122	1	60	0.0	-74.01	420.95	5.89	-68.12
C[N@@H+]1CCN(CCNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1(C)C	REAL300013783123	0	51	0.0	-74.55	377.41	4.17	-70.38
C[N@H+]1CCN(CCNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1(C)C	REAL300013783123	1	51	0.0	-73.46	376.46	4.00	-69.46
C[N@@H+]1CCN(CCNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1(C)C	REAL300013783124	0	62	0.0	-66.91	420.16	5.80	-61.11
C[N@H+]1CCN(CCNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1(C)C	REAL300013783124	1	62	0.0	-67.99	423.79	6.14	-61.85
C[N@@H+]1CCN(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1(C)C	REAL300013783125	0	56	0.0	-68.00	397.06	5.54	-62.46
C[N@H+]1CCN(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1(C)C	REAL300013783125	1	56	0.0	-65.98	395.89	5.39	-60.59
C[N@@H+]1CCN(CCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1(C)C	REAL300013783126	0	59	0.0	-73.90	422.55	5.89	-68.01
C[N@H+]1CCN(CCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1(C)C	REAL300013783126	1	59	0.0	-74.11	422.55	5.89	-68.22
C[N@@H+]1CCN(CCNC(=O)N2CCC(CC(=O)[O-])CC2)CC1(C)C	REAL300013783127	0	56	0.0	-69.82	390.88	6.16	-63.66
C[N@H+]1CCN(CCNC(=O)N2CCC(CC(=O)[O-])CC2)CC1(C)C	REAL300013783127	1	56	0.0	-65.63	393.45	6.38	-59.25
C[N@@H+]1CCN(CCNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1(C)C	REAL300013783128	0	57	0.0	-71.76	407.48	5.58	-66.18
C[N@H+]1CCN(CCNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1(C)C	REAL300013783128	1	57	0.0	-72.75	409.99	5.76	-66.99
C[N@@H+]1CCN(CCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1(C)C	REAL300013783129	0	56	0.0	-67.63	398.60	4.82	-62.81
C[N@H+]1CCN(CCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1(C)C	REAL300013783129	1	56	0.0	-68.73	401.10	5.00	-63.73
C[N@@H+]1CCN(CCNC(=O)NC2CCCC(C(=O)[O-])C2)CC1(C)C	REAL300013783130	0	56	0.0	-67.57	398.38	5.58	-61.99
C[N@H+]1CCN(CCNC(=O)NC2CCCC(C(=O)[O-])C2)CC1(C)C	REAL300013783130	1	56	0.0	-67.37	397.83	5.57	-61.80
C[N@@H+]1CCN(CCNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1(C)C	REAL300013783131	0	57	0.0	-60.89	401.07	3.40	-57.49
C[N@H+]1CCN(CCNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1(C)C	REAL300013783131	1	57	0.0	-62.71	404.73	3.72	-58.99
C[N@@H+]1CCN(CCNC(=O)NCC2(C(=O)[O-])CCOC2)CC1(C)C	REAL300013783132	0	54	0.0	-62.43	385.89	2.37	-60.06
C[N@H+]1CCN(CCNC(=O)NCC2(C(=O)[O-])CCOC2)CC1(C)C	REAL300013783132	1	54	0.0	-64.33	388.40	2.55	-61.78
C[N@@H+]1CCN(CCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1(C)C	REAL300013783133	0	51	0.0	-70.07	377.87	4.50	-65.57
C[N@H+]1CCN(CCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1(C)C	REAL300013783133	1	51	0.0	-69.68	379.01	4.64	-65.04
C[N@@H+]1CCN(CCNC(=O)NCC2(C(=O)[O-])CC2)CC1(C)C	REAL300013783134	0	50	0.0	-60.27	364.38	3.98	-56.29
C[N@H+]1CCN(CCNC(=O)NCC2(C(=O)[O-])CC2)CC1(C)C	REAL300013783134	1	50	0.0	-61.12	366.89	4.15	-56.97
C[N@@H+]1CCN(CCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1(C)C	REAL300013783135	0	57	0.0	-64.70	404.68	6.62	-58.08
C[N@H+]1CCN(CCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1(C)C	REAL300013783135	1	57	0.0	-64.01	403.47	6.47	-57.54
C[N@@H+]1CCN(CCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1(C)C	REAL300013783136	0	53	0.0	-64.55	394.39	5.64	-58.91
C[N@H+]1CCN(CCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1(C)C	REAL300013783136	1	53	0.0	-67.72	394.56	5.58	-62.14
C[N@@H+]1CCN(CCNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1(C)C	REAL300013783137	0	54	0.0	-76.06	384.68	5.07	-70.99
C[N@H+]1CCN(CCNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1(C)C	REAL300013783137	1	54	0.0	-75.07	383.52	4.93	-70.14
COC1CC(C(=O)[O-])CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1	REAL300013783138	0	57	0.0	-61.41	408.47	4.67	-56.74
COC1CC(C(=O)[O-])CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1	REAL300013783138	1	57	0.0	-60.60	406.04	4.53	-56.07
C[N@@H+]1CCN(CCNC(=O)N2CCC(C(=O)[O-])C2)CC1(C)C	REAL300013783139	0	50	0.0	-71.21	363.18	4.93	-66.28
C[N@H+]1CCN(CCNC(=O)N2CCC(C(=O)[O-])C2)CC1(C)C	REAL300013783139	1	50	0.0	-70.06	362.02	4.79	-65.27
C[N@@H+]1CCN(CCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1(C)C	REAL300013783140	0	51	0.0	-74.35	378.60	4.65	-69.70
C[N@H+]1CCN(CCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1(C)C	REAL300013783140	1	51	0.0	-74.81	378.60	4.65	-70.16
CC(CCC(=O)[O-])NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1	REAL300013783141	0	52	0.0	-65.77	381.00	4.23	-61.54
CC(CCC(=O)[O-])NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	REAL300013783141	1	52	0.0	-65.22	378.50	4.06	-61.16
O=C([O-])C[NH+]1CCC(NC(=O)NC2CC(C3=CC=CC(Cl)=C3)C2)CC1	REAL300013783174	1	49	0.0	-37.67	393.62	8.76	-28.91
CS(=O)C1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013783250	1	44	0.0	-42.83	356.93	3.17	-39.66
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C3NC=CC3=C2)CC1	REAL300013783317	1	49	0.0	-44.57	386.01	7.09	-37.48
CO[C@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013783374	1	49	0.0	-40.34	367.36	5.00	-35.34
NS(=O)(=O)CC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013783436	1	50	0.0	-46.43	411.01	1.88	-44.55
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCC(F)(F)C2)CC1	REAL300013783502	1	48	0.0	-37.94	366.35	6.81	-31.13
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=CC=C3)CC2)CC1	REAL300013783597	1	49	0.0	-35.84	380.99	8.14	-27.70
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])CC2)CC(C)O1	REAL300013783637	1	55	0.0	-68.90	382.11	7.24	-61.66
CC1C[NH+](C(C)(C)CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC(C)O1	REAL300013783638	1	55	0.0	-72.97	406.37	6.89	-66.08
CC1C[NH+](C(C)(C)CNC(=O)N2CCOC(C(=O)[O-])C2)CC(C)O1	REAL300013783639	1	53	0.0	-74.67	381.93	5.73	-68.94
CC1C[NH+](C(C)(C)CNC(=O)NC2CCC(C(=O)[O-])CC2)CC(C)O1	REAL300013783640	1	58	0.0	-74.75	409.18	6.59	-68.16
CC1C[NH+](C(C)(C)CNC(=O)NCCCCC(=O)[O-])CC(C)O1	REAL300013783641	1	54	0.0	-71.72	390.11	5.56	-66.16
CC1C[NH+](C(C)(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC(C)O1	REAL300013783642	1	55	0.0	-73.10	412.93	6.89	-66.21
CC1C[NH+](C(C)(C)CNC(=O)NCCC(=O)[O-])CC(C)O1	REAL300013783643	1	48	0.0	-67.40	347.12	3.99	-63.41
CC1C[NH+](C(C)(C)CNC(=O)NCCCCCC(=O)[O-])CC(C)O1	REAL300013783644	1	57	0.0	-70.46	411.61	6.34	-64.12
CC1C[NH+](C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])CC(C)O1	REAL300013783645	1	54	0.0	-71.30	382.56	5.44	-65.86
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])C2)CC(C)O1	REAL300013783646	1	55	0.0	-70.50	396.19	6.85	-63.65
CC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C1	REAL300013783647	1	58	0.0	-52.23	403.97	7.85	-44.38
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC(C)O1	REAL300013783648	1	58	0.0	-70.81	395.56	7.49	-63.32
CC1C[NH+](C(C)(C)CNC(=O)NCCCC(=O)[O-])CC(C)O1	REAL300013783649	1	51	0.0	-65.30	368.61	4.78	-60.52
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(C)C(C(=O)[O-])C2)CC(C)O1	REAL300013783650	1	58	0.0	-50.73	405.04	7.75	-42.98
CC1C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC(C)O1	REAL300013783651	1	59	0.0	-58.47	408.52	4.93	-53.54
CC1C[NH+](C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])CC(C)O1	REAL300013783652	1	57	0.0	-66.23	401.90	5.66	-60.57
CCC(CC)(CNC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013783653	1	60	0.0	-58.60	414.20	6.46	-52.14
CC(CNC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013783654	1	51	0.0	-68.51	364.78	4.73	-63.78
CC(C)C(CNC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013783655	1	57	0.0	-57.24	404.39	5.93	-51.31
CC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013783656	1	64	0.0	-72.66	442.17	7.36	-65.30
CC1C[NH+](C(C)(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300013783657	1	61	0.0	-59.16	437.49	8.10	-51.06
CC1C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC(C)O1	REAL300013783658	1	55	0.0	-62.22	396.93	6.08	-56.14
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC(C)O1	REAL300013783659	1	61	0.0	-71.24	422.95	8.70	-62.54
CC1C[NH+](C(C)(C)CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC(C)O1	REAL300013783660	1	57	0.0	-68.98	406.98	5.43	-63.55
CC1C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)CC(C)O1	REAL300013783661	1	58	0.0	-57.81	406.89	6.82	-50.99
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])C(C)C2)CC(C)O1	REAL300013783662	1	58	0.0	-66.54	402.24	8.01	-58.53
CC1C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCC2)CC(C)O1	REAL300013783663	1	55	0.0	-55.63	388.91	6.12	-49.51
CC1C[NH+](C(C)(C)CNC(=O)NCC(CC(=O)[O-])C2CC2)CC(C)O1	REAL300013783664	1	58	0.0	-68.47	420.67	6.80	-61.67
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC(C)O1	REAL300013783665	1	58	0.0	-70.81	395.56	7.49	-63.32
CC(C)C[C@H](CNC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)CC(=O)[O-]	REAL300013783666	1	63	0.0	-66.35	434.79	7.25	-59.10
CC1C[NH+](C(C)(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC(C)O1	REAL300013783667	1	55	0.0	-59.94	399.98	7.00	-52.94
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C1	REAL300013783668	1	59	0.0	-69.02	426.87	5.97	-63.05
CC1C[NH+](C(C)(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC(C)O1	REAL300013783669	1	52	0.0	-66.06	373.91	5.36	-60.70
CC1C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC(C)O1	REAL300013783671	1	55	0.0	-74.43	389.13	7.27	-67.16
CC1C[NH+](C(C)(C)CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC(C)O1	REAL300013783672	1	55	0.0	-54.02	383.80	7.29	-46.73
CC1C[NH+](C(C)(C)CNC(=O)NC2CC(C(=O)[O-])C2)CC(C)O1	REAL300013783673	1	52	0.0	-66.32	373.91	5.33	-60.99
CC1C[NH+](C(C)(C)CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC(C)O1	REAL300013783674	1	52	0.0	-68.14	373.74	5.37	-62.77
CC1C[NH+](C(C)(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC(C)O1	REAL300013783675	1	55	0.0	-73.10	412.93	6.89	-66.21
CCC(CNC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013783676	1	54	0.0	-55.07	381.70	5.68	-49.39
CC1C[NH+](C(C)(C)CNC(=O)N2CCCCC2CCC(=O)[O-])CC(C)O1	REAL300013783677	1	61	0.0	-76.37	416.67	8.65	-67.72
CC1C[NH+](C(C)(C)CNC(=O)NCCCCCCCC(=O)[O-])CC(C)O1	REAL300013783678	1	63	0.0	-73.00	454.61	7.90	-65.10
CC1C[NH+](C(C)(C)CNC(=O)NCCCCCCC(=O)[O-])CC(C)O1	REAL300013783679	1	60	0.0	-73.87	433.11	7.12	-66.75
CC1C[NH+](C(C)(C)CNC(=O)N(C)CCCC(=O)[O-])CC(C)O1	REAL300013783680	1	54	0.0	-71.38	386.24	7.17	-64.21
CC1C[NH+](C(C)(C)CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC(C)O1	REAL300013783681	1	58	0.0	-75.16	397.76	8.03	-67.13
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C1	REAL300013783682	1	62	0.0	-80.31	429.95	7.17	-73.14
COCCN(CCC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300013783683	1	58	0.0	-49.13	424.81	6.57	-42.56
CC1C[NH+](C(C)(C)CNC(=O)N2CCCC(CCC(=O)[O-])C2)CC(C)O1	REAL300013783684	1	61	0.0	-76.09	430.22	8.73	-67.36
CC1C[NH+](C(C)(C)CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC(C)O1	REAL300013783685	1	59	0.0	-69.69	416.28	9.76	-59.93
CC1C[NH+](C(C)(C)CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC(C)O1	REAL300013783686	1	56	0.0	-68.11	395.42	5.97	-62.14
CC1C[NH+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])CCC2C)CC(C)O1	REAL300013783687	1	58	0.0	-74.63	398.60	7.84	-66.79
CC1C[NH+](C(C)(C)CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC(C)O1	REAL300013783688	1	56	0.0	-71.02	392.56	4.85	-66.17
CC1C[NH+](C(C)(C)CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC(C)O1	REAL300013783689	1	59	0.0	-69.91	428.88	8.10	-61.81
CC1C[NH+](C(C)(C)CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC(C)O1	REAL300013783690	1	62	0.0	-81.47	434.51	7.09	-74.38
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)CC1	REAL300013783691	1	62	0.0	-74.03	427.20	7.31	-66.72
CC1C[NH+](C(C)(C)CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC(C)O1	REAL300013783692	1	53	0.0	-74.57	390.71	5.62	-68.95
CC1C[NH+](C(C)(C)CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC(C)O1	REAL300013783693	1	64	0.0	-62.17	429.85	7.55	-54.62
CC1C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC(C)O1	REAL300013783694	1	58	0.0	-63.16	410.14	7.01	-56.15
CC1C[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC(C)O1	REAL300013783695	1	61	0.0	-72.75	428.93	7.30	-65.45
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(CC(=O)[O-])CC2)CC(C)O1	REAL300013783696	1	58	0.0	-62.65	400.64	7.93	-54.72
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(OCC(=O)[O-])CC2)CC(C)O1	REAL300013783697	1	59	0.0	-73.89	417.18	7.33	-66.56
CC1C[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC(C)O1	REAL300013783698	1	58	0.0	-68.37	415.04	6.58	-61.79
CC1C[NH+](C(C)(C)CNC(=O)NC2CCCC(C(=O)[O-])C2)CC(C)O1	REAL300013783699	1	58	0.0	-63.76	404.40	6.99	-56.77
CC1C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCOC2)CC(C)O1	REAL300013783700	1	59	0.0	-53.90	410.95	5.14	-48.76
CC1C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOC2)CC(C)O1	REAL300013783701	1	56	0.0	-55.32	402.30	4.13	-51.19
CC1C[NH+](C(C)(C)CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC(C)O1	REAL300013783702	1	53	0.0	-65.22	385.41	6.08	-59.14
CC1C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CC2)CC(C)O1	REAL300013783703	1	52	0.0	-53.72	374.07	5.71	-48.01
CC1C[NH+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC(C)O1	REAL300013783704	1	59	0.0	-58.35	417.77	8.08	-50.27
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC(C)O1	REAL300013783705	1	55	0.0	-64.30	409.27	7.13	-57.17
CC1C[NH+](C(C)(C)CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC(C)O1	REAL300013783706	1	56	0.0	-74.92	390.80	6.51	-68.41
CC1C[NH+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])C2)CC(C)O1	REAL300013783707	1	49	0.0	-61.00	361.53	5.67	-55.33
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)[NH+]2CC(C)OC(C)C2)C1	REAL300013783708	1	59	0.0	-53.27	415.96	6.28	-46.99
CC1C[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])C2)CC(C)O1	REAL300013783709	1	52	0.0	-69.31	369.57	6.34	-62.97
CC1C[NH+](C(C)(C)CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC(C)O1	REAL300013783710	1	53	0.0	-73.67	384.68	6.09	-67.58
CC(CCC(=O)[O-])NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1	REAL300013783711	1	54	0.0	-62.61	388.36	5.80	-56.81
COC1=CC2=CC=C(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2C=C1	REAL300013783796	1	52	0.0	-38.39	408.60	7.81	-30.58
CC(CCC1=CC=C(O)C=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013783869	1	52	0.0	-38.42	406.53	5.94	-32.48
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=NN=C3CCCCCN23)CC1	REAL300013783944	1	54	0.0	-50.01	405.24	7.29	-42.72
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3C=CC=N3)N=C2)CC1	REAL300013784019	1	48	0.0	-40.78	388.71	6.76	-34.02
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3C=CN=C3)N=C2)CC1	REAL300013784108	1	48	0.0	-42.37	386.18	7.93	-34.44
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013784181	1	48	0.0	-39.28	380.80	7.98	-31.30
CC(C)C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013784255	1	51	0.0	-39.87	398.55	8.87	-31.00
CN(C)S(=O)(=O)C1=CC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013784328	1	53	0.0	-43.49	418.33	5.24	-38.25
O=C([O-])C1=CC=C(CNC(=O)NC2CC[NH+](C3CC3)CC2)C=C1	REAL300013784390	0	46	0.0	-74.84	361.60	7.31	-67.53
O=C([O-])C1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)CC1	REAL300013784391	0	49	0.0	-65.67	358.48	7.36	-58.31
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](C3CC3)CC2)=CC=C1	REAL300013784392	0	46	0.0	-74.33	366.02	7.51	-66.82
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1	REAL300013784393	0	56	0.0	-71.83	410.15	10.77	-61.06
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300013784394	0	49	0.0	-59.01	363.83	8.47	-50.54
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1	REAL300013784395	0	49	0.0	-71.85	355.63	8.19	-63.66
CC1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1C(=O)[O-]	REAL300013784396	0	49	0.0	-75.06	353.76	8.10	-66.96
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CCOCC1	REAL300013784397	0	50	0.0	-61.91	364.92	5.19	-56.72
CCC(CC)(CNC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300013784398	0	51	0.0	-61.86	371.19	7.43	-54.43
CC(NC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013784399	0	55	0.0	-73.74	401.15	7.96	-65.78
CC(CNC(=O)NC1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013784400	0	52	0.0	-65.16	392.71	8.53	-56.63
O=C([O-])CCC1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1	REAL300013784401	0	52	0.0	-73.16	378.45	9.12	-64.04
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[NH+](C3CC3)CC1)C2	REAL300013784402	0	48	0.0	-71.42	355.73	5.84	-65.58
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CCCC1	REAL300013784403	0	49	0.0	-62.40	362.29	7.26	-55.14
CC1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CCC1C(=O)[O-]	REAL300013784404	0	49	0.0	-69.24	350.84	8.41	-60.83
O=C([O-])CC(CNC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1	REAL300013784405	0	49	0.0	-71.65	373.78	7.40	-64.25
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1	REAL300013784406	0	49	0.0	-71.85	355.63	8.19	-63.66
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)CC(=O)[O-]	REAL300013784407	0	54	0.0	-68.98	394.79	7.79	-61.19
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[NH+](C2CC2)CC1	REAL300013784408	0	46	0.0	-68.97	355.22	7.41	-61.56
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300013784409	0	50	0.0	-74.95	373.36	7.22	-67.73
O=C([O-])CN1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)CC1	REAL300013784410	0	51	0.0	-73.36	376.89	4.78	-68.58
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC3CC[NH+](C4CC4)CC3)C2)C=N1	REAL300013784411	0	56	0.0	-77.79	425.50	9.18	-68.61
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](C3CC3)CC2)=CC=C1	REAL300013784412	0	46	0.0	-74.33	366.02	7.51	-66.82
COC(=O)C1CC2(C1)CN(C(=O)NC1CC[NH+](C3CC3)CC1)CC2C(=O)[O-]	REAL300013784413	0	56	0.0	-68.60	422.14	9.18	-59.42
O=C([O-])CCC1CCCCN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300013784414	0	52	0.0	-76.24	371.97	9.06	-67.18
O=C([O-])CCCCCCCNC(=O)NC1CC[NH+](C2CC2)CC1	REAL300013784415	0	54	0.0	-73.37	414.25	8.54	-64.83
O=C([O-])CCCCCCNC(=O)NC1CC[NH+](C2CC2)CC1	REAL300013784416	0	51	0.0	-73.97	392.75	7.76	-66.21
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300013784417	0	49	0.0	-76.58	353.24	8.44	-68.14
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300013784418	0	53	0.0	-79.77	383.86	8.32	-71.45
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](C2CC2)CC1	REAL300013784419	0	49	0.0	-58.65	373.15	6.95	-51.70
O=C([O-])[C@]12CN(C(=O)NC3CC[NH+](C4CC4)CC3)C[C@H]1C1=CC=CC=C1OC2	REAL300013784420	0	55	0.0	-75.46	416.13	9.83	-65.63
O=C([O-])CCC1CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300013784421	0	52	0.0	-75.45	378.74	9.12	-66.33
O=C([O-])C1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC2=CC=CC=C21	REAL300013784422	0	50	0.0	-73.55	371.61	10.21	-63.34
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CCO1	REAL300013784423	0	57	0.0	-73.50	432.49	7.51	-65.99
O=C([O-])C(=O)N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1	REAL300013784424	0	47	0.0	-67.09	350.77	6.47	-60.62
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[NH+](C2CC2)CC1	REAL300013784425	0	49	0.0	-60.21	355.03	8.29	-51.92
O=C([O-])[C@@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C1=CC=CC=C1	REAL300013784426	0	53	0.0	-64.29	399.34	10.23	-54.06
O=C([O-])C1(O)CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300013784427	0	47	0.0	-73.09	347.81	5.24	-67.85
O=C([O-])C1CC(NC(=O)NC2CC[NH+](C3CC3)CC2)C2=CC=CC=C21	REAL300013784428	0	50	0.0	-70.99	379.80	8.30	-62.69
O=C([O-])CN1CCCCC(NC(=O)NC2CC[NH+](C3CC3)CC2)C1=O	REAL300013784429	0	53	0.0	-85.48	385.18	7.37	-78.11
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1	REAL300013784430	0	53	0.0	-73.74	381.97	7.84	-65.90
O=C([O-])CC1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CCCCC1	REAL300013784431	0	55	0.0	-68.17	385.24	7.98	-60.19
O=C([O-])[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)CC1	REAL300013784432	0	49	0.0	-65.51	364.26	7.63	-57.88
O=C([O-])[C@H]1CC[C@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)CC1	REAL300013784433	0	52	0.0	-74.52	381.96	7.63	-66.89
O=C([O-])CC1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1	REAL300013784434	0	49	0.0	-73.00	356.14	8.34	-64.66
O=C([O-])COC1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1	REAL300013784435	0	50	0.0	-73.49	372.71	7.75	-65.74
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300013784436	0	49	0.0	-70.51	364.23	6.98	-63.53
O=C([O-])C1CCCC(NC(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300013784437	0	49	0.0	-69.53	368.13	7.18	-62.35
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CCCOC1	REAL300013784438	0	50	0.0	-65.95	369.05	5.85	-60.10
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CCOC1	REAL300013784439	0	47	0.0	-63.07	350.98	4.54	-58.53
CC(C)(CC1=CC=C(CNC(=O)NC2CC[NH+](C3CC3)CC2)C=C1)C(=O)[O-]	REAL300013784440	0	58	0.0	-73.87	436.81	9.69	-64.18
O=C([O-])C1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC12CCC2	REAL300013784441	0	50	0.0	-65.02	367.29	8.52	-56.50
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300013784442	0	46	0.0	-66.30	362.18	7.72	-58.58
CC1(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CC3)CC2)CCO1	REAL300013784443	0	47	0.0	-76.24	350.68	7.13	-69.11
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CC3)CC2)C1	REAL300013784444	0	50	0.0	-61.12	369.45	6.75	-54.37
O=C([O-])CN1C(=O)NC2(CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)C1=O	REAL300013784445	0	55	0.0	-82.11	416.93	6.24	-75.87
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2OC(F)F)CC1	REAL300013784478	1	46	0.0	-38.46	371.33	5.89	-32.57
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(C(=O)C3=CC=CO3)CC2)CC1	REAL300013784554	1	53	0.0	-42.55	407.45	5.74	-36.81
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300013784627	1	52	0.0	-47.23	413.48	8.24	-38.99
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])CC3)C=N2)CC1	REAL300013784669	0	53	0.0	-76.10	401.37	7.38	-68.72
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC3=CC=C(C(=O)[O-])C=C3)C=N2)CC1	REAL300013784670	0	53	0.0	-78.64	425.47	7.03	-71.61
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCOC(C(=O)[O-])C3)C=N2)CC1	REAL300013784671	0	51	0.0	-66.99	394.51	5.86	-61.13
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3CCC(C(=O)[O-])CC3)C=N2)CC1	REAL300013784672	0	56	0.0	-72.47	422.36	7.10	-65.37
C[NH+]1CCN(C2=CC=C(CNC(=O)NCCCCC(=O)[O-])C=N2)CC1	REAL300013784673	0	52	0.0	-79.47	409.21	5.71	-73.76
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=N2)CC1	REAL300013784674	0	53	0.0	-79.93	425.48	7.01	-72.92
C[NH+]1CCN(C2=CC=C(CNC(=O)NCCC(=O)[O-])C=N2)CC1	REAL300013784675	0	46	0.0	-77.17	366.21	4.13	-73.04
C[NH+]1CCN(C2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=N2)CC1	REAL300013784676	0	55	0.0	-77.74	430.71	6.49	-71.25
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013784677	0	52	0.0	-79.81	401.07	5.59	-74.22
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])C3)C=N2)CC1	REAL300013784678	0	53	0.0	-82.75	405.71	7.04	-75.71
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)C1	REAL300013784679	0	56	0.0	-82.68	417.85	8.23	-74.45
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=N2)CC1	REAL300013784680	0	56	0.0	-77.52	415.63	7.72	-69.80
C[NH+]1CCN(C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=N2)CC1	REAL300013784681	0	49	0.0	-74.08	387.71	4.93	-69.15
CC1CCN(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)CC1C(=O)[O-]	REAL300013784682	0	56	0.0	-81.69	417.56	7.84	-73.85
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCOCC3)C=N2)CC1	REAL300013784683	0	57	0.0	-69.11	428.79	4.90	-64.21
C[NH+]1CCN(C2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013784684	0	55	0.0	-74.67	421.00	5.81	-68.86
CCC(CC)(CNC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013784685	0	58	0.0	-69.27	428.60	6.78	-62.49
CC(CNC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013784686	0	49	0.0	-78.41	384.76	4.89	-73.52
CC(C)C(CNC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013784687	0	55	0.0	-72.29	423.49	6.09	-66.20
C[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013784688	0	53	0.0	-74.63	409.40	6.20	-68.43
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(CCC(=O)[O-])CC3)C=N2)CC1	REAL300013784689	0	59	0.0	-77.11	442.22	8.87	-68.24
C[NH+]1CCN(C2=CC=C(CNC(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)C=N2)CC1	REAL300013784690	0	55	0.0	-76.35	418.86	5.68	-70.67
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=N2)CC1	REAL300013784691	0	56	0.0	-71.50	426.16	6.98	-64.52
CC1CN(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)CCC1C(=O)[O-]	REAL300013784692	0	56	0.0	-74.32	414.78	8.13	-66.19
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCC3)C=N2)CC1	REAL300013784693	0	53	0.0	-69.29	409.09	6.13	-63.16
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC(CC(=O)[O-])C3CC3)C=N2)CC1	REAL300013784694	0	56	0.0	-79.79	433.22	6.90	-72.89
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=N2)CC1	REAL300013784695	0	56	0.0	-77.52	415.63	7.72	-69.80
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)CC(=O)[O-]	REAL300013784696	0	61	0.0	-78.01	454.20	7.35	-70.66
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])C=N2)CC1	REAL300013784697	0	53	0.0	-78.50	419.09	7.12	-71.38
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)C1	REAL300013784698	0	57	0.0	-81.32	439.42	6.10	-75.22
C[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013784699	0	50	0.0	-75.27	392.81	5.49	-69.78
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3CCN(CC(=O)[O-])CC3)C=N2)CC1	REAL300013784700	0	58	0.0	-79.67	440.75	4.52	-75.15
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013784701	0	53	0.0	-67.28	401.65	7.39	-59.89
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)C=N2)CC1	REAL300013784702	0	53	0.0	-81.50	402.86	7.45	-74.05
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3CC(C(=O)[O-])C3)C=N2)CC1	REAL300013784703	0	50	0.0	-74.67	393.17	5.49	-69.18
C[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=N2)CC1	REAL300013784704	0	50	0.0	-76.54	392.67	5.53	-71.01
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=N2)CC1	REAL300013784705	0	53	0.0	-79.93	425.48	7.01	-72.92
CCC(CNC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013784706	0	52	0.0	-71.41	406.71	5.59	-65.82
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCCC3CCC(=O)[O-])C=N2)CC1	REAL300013784707	0	59	0.0	-88.28	435.54	8.79	-79.49
C[NH+]1CCN(C2=CC=C(CNC(=O)NCCCCCCCC(=O)[O-])C=N2)CC1	REAL300013784708	0	61	0.0	-79.61	473.71	8.05	-71.56
C[NH+]1CCN(C2=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=N2)CC1	REAL300013784709	0	58	0.0	-80.87	452.21	7.27	-73.60
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300013784710	0	52	0.0	-80.92	405.34	7.32	-73.60
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)C=N2)CC1	REAL300013784711	0	56	0.0	-65.05	417.07	8.18	-56.87
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300013784712	0	56	0.0	-64.41	437.02	6.68	-57.73
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC(CCC(=O)[O-])C3)C=N2)CC1	REAL300013784713	0	59	0.0	-82.64	442.57	8.86	-73.78
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCN(C(=O)C(=O)[O-])CC3)C=N2)CC1	REAL300013784714	0	54	0.0	-70.43	414.72	6.17	-64.26
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300013784715	0	56	0.0	-64.28	417.42	8.01	-56.27
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)C=N2)CC1	REAL300013784716	0	54	0.0	-79.74	411.78	4.98	-74.76
C[NH+]1CCN(C2=CC=C(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)C=N2)CC1	REAL300013784717	0	51	0.0	-81.44	402.92	5.72	-75.72
C[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=N2)CC1	REAL300013784718	0	56	0.0	-72.12	423.67	7.15	-64.97
C[NH+]1CCN(C2=CC=C(CNC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)C=N2)CC1	REAL300013784719	0	59	0.0	-79.43	447.86	7.43	-72.00
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(CC(=O)[O-])CC3)C=N2)CC1	REAL300013784720	0	56	0.0	-70.76	419.91	8.09	-62.67
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(OCC(=O)[O-])CC3)C=N2)CC1	REAL300013784721	0	57	0.0	-79.58	436.44	7.48	-72.10
C[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013784722	0	56	0.0	-75.75	428.11	6.72	-69.03
C[NH+]1CCN(C2=CC=C(CNC(=O)NC3CCCC(C(=O)[O-])C3)C=N2)CC1	REAL300013784723	0	56	0.0	-75.43	427.57	6.70	-68.73
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCOC3)C=N2)CC1	REAL300013784724	0	57	0.0	-69.91	430.04	5.28	-64.63
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCOC3)C=N2)CC1	REAL300013784725	0	54	0.0	-69.80	414.85	4.25	-65.55
C[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=N2)CC1	REAL300013784726	0	51	0.0	-75.41	404.33	6.21	-69.20
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CC3)C=N2)CC1	REAL300013784727	0	50	0.0	-67.36	392.99	5.75	-61.61
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)C=N2)CC1	REAL300013784728	0	57	0.0	-68.84	429.99	8.19	-60.65
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)C=N2)CC1	REAL300013784729	0	54	0.0	-82.27	410.08	6.65	-75.62
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CC(C(=O)[O-])C3)C=N2)CC1	REAL300013784730	0	47	0.0	-70.33	373.94	5.70	-64.63
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CC[NH+](C)CC3)N=C2)C1	REAL300013784731	0	57	0.0	-67.03	433.25	6.50	-60.53
C[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C3)C=N2)CC1	REAL300013784732	0	50	0.0	-77.70	388.85	6.50	-71.20
C[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=N2)CC1	REAL300013784733	0	51	0.0	-80.63	403.61	6.22	-74.41
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1	REAL300013784734	0	52	0.0	-72.86	407.47	5.94	-66.92
O=C([O-])C[NH+]1CCC(NC(=O)NCC#CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300013784767	1	47	0.0	-37.47	399.53	8.75	-28.72
CS(=O)(=O)NC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013784837	1	50	0.0	-43.45	406.55	2.98	-40.47
CC(=O)NC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013784906	1	49	0.0	-46.74	389.35	5.14	-41.60
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCC(C(F)(F)F)C2)CC1	REAL300013784998	1	48	0.0	-40.26	372.86	6.88	-33.38
CC1C[NH+](CCCNC(=O)N2CCC(C(=O)[O-])CC2)CC(C)O1	REAL300013785040	0	52	0.0	-74.61	379.62	6.93	-67.68
CC1C[NH+](CCCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC(C)O1	REAL300013785041	0	52	0.0	-80.34	409.89	6.55	-73.79
CC1C[NH+](CCCNC(=O)N2CCOC(C(=O)[O-])C2)CC(C)O1	REAL300013785042	0	50	0.0	-65.65	372.73	5.39	-60.26
CC1C[NH+](CCCNC(=O)NC2CCC(C(=O)[O-])CC2)CC(C)O1	REAL300013785043	0	55	0.0	-81.80	412.53	6.25	-75.55
CC1C[NH+](CCCNC(=O)NCCCCC(=O)[O-])CC(C)O1	REAL300013785044	0	51	0.0	-79.45	393.63	5.23	-74.22
CC1C[NH+](CCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC(C)O1	REAL300013785045	0	52	0.0	-80.20	409.90	6.54	-73.66
CC1C[NH+](CCCNC(=O)NCCCCCC(=O)[O-])CC(C)O1	REAL300013785046	0	54	0.0	-78.33	415.13	6.01	-72.32
CC1C[NH+](CCCNC(=O)NCC(C)(C)C(=O)[O-])CC(C)O1	REAL300013785047	0	51	0.0	-79.47	385.49	5.12	-74.35
CC1C[NH+](CCCNC(=O)N2CCC(C)(C(=O)[O-])C2)CC(C)O1	REAL300013785048	0	52	0.0	-78.03	386.78	6.50	-71.53
CC1CC(C(=O)[O-])CN(C(=O)NCCC[NH+]2CC(C)OC(C)C2)C1	REAL300013785049	0	55	0.0	-63.38	406.97	7.49	-55.89
CC1C[NH+](CCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC(C)O1	REAL300013785050	0	55	0.0	-77.60	393.85	7.24	-70.36
CC1C[NH+](CCCNC(=O)NCCCC(=O)[O-])CC(C)O1	REAL300013785051	0	48	0.0	-74.14	372.13	4.44	-69.70
CC1C[NH+](CCCNC(=O)N2CCC(C)C(C(=O)[O-])C2)CC(C)O1	REAL300013785052	0	55	0.0	-81.68	402.04	7.37	-74.31
CC1C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC(C)O1	REAL300013785053	0	56	0.0	-67.63	406.02	4.62	-63.01
CC1C[NH+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])CC(C)O1	REAL300013785054	0	54	0.0	-75.08	404.84	5.32	-69.76
CCC(CC)(CNC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013785055	0	57	0.0	-66.95	415.07	6.46	-60.49
CC(CNC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013785056	0	48	0.0	-77.45	368.30	4.38	-73.07
CC(C)C(CNC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013785057	0	54	0.0	-69.73	407.93	5.59	-64.14
CC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013785058	0	61	0.0	-81.11	445.48	7.05	-74.06
CC1C[NH+](CCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC(C)O1	REAL300013785059	0	58	0.0	-69.64	441.01	7.77	-61.87
CC1C[NH+](CCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC(C)O1	REAL300013785060	0	52	0.0	-71.45	394.06	5.74	-65.71
CC1C[NH+](CCCNC(=O)N2CCC(CCC(=O)[O-])CC2)CC(C)O1	REAL300013785061	0	58	0.0	-78.99	420.45	8.38	-70.61
CC1C[NH+](CCCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC(C)O1	REAL300013785062	0	54	0.0	-77.80	404.82	5.14	-72.66
CC1C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCCC2)CC(C)O1	REAL300013785063	0	55	0.0	-67.50	404.39	6.50	-61.00
CC1C[NH+](CCCNC(=O)N2CCC(C(=O)[O-])C(C)C2)CC(C)O1	REAL300013785064	0	55	0.0	-75.02	399.20	7.65	-67.37
CC1C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCC2)CC(C)O1	REAL300013785065	0	52	0.0	-66.63	392.61	5.80	-60.83
CC1C[NH+](CCCNC(=O)NCC(CC(=O)[O-])C2CC2)CC(C)O1	REAL300013785066	0	55	0.0	-77.85	417.64	6.43	-71.42
CC1C[NH+](CCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC(C)O1	REAL300013785067	0	55	0.0	-77.60	393.85	7.24	-70.36
CC(C)C[C@H](CNC(=O)NCCC[NH+]1CC(C)OC(C)C1)CC(=O)[O-]	REAL300013785068	0	60	0.0	-71.47	444.04	7.05	-64.42
CC1C[NH+](CCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC(C)O1	REAL300013785069	0	52	0.0	-73.77	403.50	6.66	-67.11
COCC1(C(=O)[O-])CCN(C(=O)NCCC[NH+]2CC(C)OC(C)C2)C1	REAL300013785070	0	56	0.0	-80.05	423.85	5.63	-74.42
CC1C[NH+](CCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC(C)O1	REAL300013785071	0	49	0.0	-74.53	377.63	5.01	-69.52
CC1C[NH+](CCCNC(=O)NC2CCN(CC(=O)[O-])CC2)CC(C)O1	REAL300013785072	0	57	0.0	-77.02	425.63	4.09	-72.93
CC1C[NH+](CCCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC(C)O1	REAL300013785073	0	52	0.0	-62.87	386.59	6.94	-55.93
CC1C[NH+](CCCNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC(C)O1	REAL300013785074	0	52	0.0	-63.89	381.11	6.99	-56.90
CC1C[NH+](CCCNC(=O)NC2CC(C(=O)[O-])C2)CC(C)O1	REAL300013785075	0	49	0.0	-74.73	377.60	5.01	-69.72
CC1C[NH+](CCCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC(C)O1	REAL300013785076	0	49	0.0	-75.63	371.23	5.06	-70.57
CC1C[NH+](CCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC(C)O1	REAL300013785077	0	52	0.0	-80.20	409.90	6.54	-73.66
CCC(CNC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013785078	0	51	0.0	-69.30	391.13	5.11	-64.19
CC1C[NH+](CCCNC(=O)N2CCCCC2CCC(=O)[O-])CC(C)O1	REAL300013785079	0	58	0.0	-82.54	414.32	8.32	-74.22
CC1C[NH+](CCCNC(=O)NCCCCCCCC(=O)[O-])CC(C)O1	REAL300013785080	0	60	0.0	-80.47	458.12	7.57	-72.90
CC1C[NH+](CCCNC(=O)NCCCCCCC(=O)[O-])CC(C)O1	REAL300013785081	0	57	0.0	-81.21	436.63	6.79	-74.42
CC1C[NH+](CCCNC(=O)N(C)CCCC(=O)[O-])CC(C)O1	REAL300013785082	0	51	0.0	-78.76	389.76	6.84	-71.92
CC1C[NH+](CCCNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC(C)O1	REAL300013785083	0	55	0.0	-82.31	395.26	7.70	-74.61
COCC1(C(=O)[O-])CCCN(C(=O)NCCC[NH+]2CC(C)OC(C)C2)C1	REAL300013785084	0	59	0.0	-85.23	426.79	7.47	-77.76
COCCN(CCC(=O)[O-])C(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300013785085	0	55	0.0	-61.90	421.45	6.19	-55.71
CC1C[NH+](CCCNC(=O)N2CCCC(CCC(=O)[O-])C2)CC(C)O1	REAL300013785086	0	58	0.0	-81.23	420.79	8.39	-72.84
CC1C[NH+](CCCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC(C)O1	REAL300013785087	0	56	0.0	-81.89	413.04	9.69	-72.20
CC1C[NH+](CCCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC(C)O1	REAL300013785088	0	53	0.0	-71.62	392.93	5.70	-65.92
CC1C[NH+](CCCNC(=O)N2CC(C(=O)[O-])CCC2C)CC(C)O1	REAL300013785089	0	55	0.0	-62.48	395.65	7.53	-54.95
CC1C[NH+](CCCNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC(C)O1	REAL300013785090	0	59	0.0	-70.01	449.29	9.54	-60.47
CC1C[NH+](CCCNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC(C)O1	REAL300013785091	0	53	0.0	-78.68	390.01	4.51	-74.17
CC1C[NH+](CCCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC(C)O1	REAL300013785092	0	56	0.0	-78.11	432.57	7.78	-70.33
CC1C[NH+](CCCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC(C)O1	REAL300013785093	0	59	0.0	-88.45	438.20	6.77	-81.68
COCC1(C(=O)[O-])CCN(C(=O)NCCC[NH+]2CC(C)OC(C)C2)CC1	REAL300013785094	0	59	0.0	-81.10	425.25	6.36	-74.74
CC1C[NH+](CCCNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC(C)O1	REAL300013785095	0	50	0.0	-80.53	381.14	5.24	-75.29
CC1C[NH+](CCCNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC(C)O1	REAL300013785096	0	61	0.0	-70.34	427.05	7.23	-63.11
CC1C[NH+](CCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC(C)O1	REAL300013785097	0	55	0.0	-71.71	408.09	6.68	-65.03
CC1C[NH+](CCCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC(C)O1	REAL300013785098	0	58	0.0	-79.44	430.96	6.93	-72.51
CC1C[NH+](CCCNC(=O)N2CCC(CC(=O)[O-])CC2)CC(C)O1	REAL300013785099	0	55	0.0	-78.56	398.14	7.60	-70.96
CC1C[NH+](CCCNC(=O)N2CCC(OCC(=O)[O-])CC2)CC(C)O1	REAL300013785100	0	56	0.0	-78.90	414.67	7.03	-71.87
CC1C[NH+](CCCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC(C)O1	REAL300013785101	0	55	0.0	-75.10	406.32	6.25	-68.85
CC1C[NH+](CCCNC(=O)NC2CCCC(C(=O)[O-])C2)CC(C)O1	REAL300013785102	0	55	0.0	-75.69	412.00	6.23	-69.46
CC1C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCCOC2)CC(C)O1	REAL300013785103	0	56	0.0	-66.63	414.46	4.81	-61.82
CC1C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCOC2)CC(C)O1	REAL300013785104	0	53	0.0	-67.38	399.28	3.78	-63.60
CC1C[NH+](CCCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC(C)O1	REAL300013785105	0	50	0.0	-74.44	389.55	5.76	-68.68
CC1C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CC2)CC(C)O1	REAL300013785106	0	49	0.0	-63.54	371.21	5.28	-58.26
CC1C[NH+](CCCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC(C)O1	REAL300013785107	0	56	0.0	-69.02	409.41	7.76	-61.26
CC1C[NH+](CCCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC(C)O1	REAL300013785108	0	52	0.0	-71.03	400.42	6.79	-64.24
CC1C[NH+](CCCNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC(C)O1	REAL300013785109	0	53	0.0	-83.16	394.50	6.17	-76.99
COC1CC(C(=O)[O-])CN(C(=O)NCCC[NH+]2CC(C)OC(C)C2)C1	REAL300013785110	0	56	0.0	-64.63	411.48	6.02	-58.61
CC1C[NH+](CCCNC(=O)N2CCC(C(=O)[O-])C2)CC(C)O1	REAL300013785111	0	49	0.0	-77.14	367.05	6.03	-71.11
CC1C[NH+](CCCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC(C)O1	REAL300013785112	0	50	0.0	-80.40	381.29	5.72	-74.68
CC(CCC(=O)[O-])NC(=O)NCCC[NH+]1CC(C)OC(C)C1	REAL300013785113	0	51	0.0	-72.18	391.89	5.46	-66.72
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(OCC(F)(F)F)C=C2)CC1	REAL300013785152	1	49	0.0	-42.77	404.07	6.96	-35.81
CN(C)C(=O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013785219	1	52	0.0	-46.57	405.03	6.12	-40.45
CC(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013785262	0	51	0.0	-71.97	369.37	8.54	-63.43
CC(C)C[NH+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013785263	0	51	0.0	-76.30	393.21	8.20	-68.10
CC(C)C[NH+]1CCC(NC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013785264	0	49	0.0	-77.49	362.25	7.03	-70.46
CC(C)C[NH+]1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013785265	0	54	0.0	-76.60	395.97	7.86	-68.74
CC(C)C[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013785266	0	51	0.0	-75.98	393.31	8.20	-67.78
CC(C)C[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013785267	0	53	0.0	-73.11	398.54	7.67	-65.44
CC(C)C[NH+]1CCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013785268	0	61	0.0	-73.23	441.86	11.75	-61.48
CC(C)C[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013785269	0	51	0.0	-74.24	376.62	8.16	-66.08
CC(C)C[NH+]1CCC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013785270	0	54	0.0	-60.59	386.47	9.40	-51.19
CC(C)C[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013785271	0	54	0.0	-73.88	382.96	8.86	-65.02
CC(C)C[NH+]1CCC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013785272	0	54	0.0	-60.66	379.77	8.78	-51.88
CC(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013785273	0	55	0.0	-63.27	396.53	6.07	-57.20
CC(C)C[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013785274	0	53	0.0	-70.31	388.86	6.97	-63.34
CCC(CC)(CNC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300013785275	0	56	0.0	-64.32	401.17	7.77	-56.55
CC(C)C[NH+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013785276	0	53	0.0	-66.09	391.33	7.26	-58.83
CC(C)C[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013785277	0	60	0.0	-76.23	432.42	9.17	-67.06
CC(C)C[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013785278	0	57	0.0	-64.60	420.43	9.61	-54.99
CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013785279	0	51	0.0	-69.72	377.48	7.39	-62.33
CC(C)C[NH+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013785280	0	57	0.0	-74.58	410.10	10.02	-64.56
CC(C)C[NH+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013785281	0	53	0.0	-73.44	387.77	6.75	-66.69
CC(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013785282	0	54	0.0	-65.17	393.92	8.14	-57.03
CC(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013785283	0	54	0.0	-70.98	382.50	9.31	-61.67
CC(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013785284	0	51	0.0	-63.49	376.83	7.30	-56.19
CC(C)C[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013785285	0	54	0.0	-71.86	401.05	8.09	-63.77
CC(C)C[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013785286	0	54	0.0	-73.88	382.96	8.86	-65.02
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)CC(=O)[O-]	REAL300013785287	0	59	0.0	-67.96	427.17	8.64	-59.32
CC(C)C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013785288	0	51	0.0	-69.70	386.91	8.32	-61.38
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)C1	REAL300013785289	0	55	0.0	-75.48	407.49	7.26	-68.22
CC(C)C[NH+]1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013785290	0	56	0.0	-72.16	408.40	5.66	-66.50
CC(C)C[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)CC1	REAL300013785291	0	61	0.0	-79.73	452.79	9.85	-69.88
CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013785292	0	51	0.0	-60.69	369.45	8.54	-52.15
CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013785293	0	51	0.0	-76.45	370.70	8.60	-67.85
CC(C)C[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013785294	0	51	0.0	-75.98	393.31	8.20	-67.78
COC(=O)C1CC2(C1)CN(C(=O)NC1CC[NH+](CC(C)C)CC1)CC2C(=O)[O-]	REAL300013785295	0	61	0.0	-63.11	449.01	9.87	-53.24
CC(C)C[NH+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013785296	0	57	0.0	-77.01	403.27	9.96	-67.05
CC(C)C[NH+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013785297	0	59	0.0	-74.97	441.57	9.21	-65.76
CC(C)C[NH+]1CCC(NC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013785298	0	56	0.0	-75.54	420.07	8.43	-67.11
CC(C)C[NH+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013785299	0	54	0.0	-77.09	384.97	9.31	-67.78
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](CC(C)C)CC2)C1	REAL300013785300	0	58	0.0	-81.21	417.16	8.46	-72.75
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](CC(C)C)CC1	REAL300013785301	0	54	0.0	-60.12	404.89	7.83	-52.29
CC(C)C[NH+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013785302	0	57	0.0	-76.68	410.34	9.99	-66.69
CC(C)C[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013785303	0	55	0.0	-75.62	403.50	11.07	-64.55
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2CC[NH+](CC(C)C)CC2)CCO1	REAL300013785304	0	62	0.0	-68.66	458.29	9.04	-59.62
CC(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013785305	0	52	0.0	-68.09	382.28	7.31	-60.78
CC(C)C[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013785306	0	54	0.0	-60.93	385.40	9.13	-51.80
CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013785307	0	58	0.0	-66.49	433.04	11.17	-55.32
CC(C)C[NH+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013785308	0	52	0.0	-74.68	379.32	6.16	-68.52
CC(C)C[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013785309	0	55	0.0	-73.99	416.02	9.42	-64.57
CC(C)C[NH+]1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013785310	0	58	0.0	-82.91	421.55	8.40	-74.51
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1	REAL300013785311	0	58	0.0	-77.99	414.68	7.99	-70.00
CC(C)C[NH+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013785312	0	49	0.0	-75.69	370.98	6.90	-68.79
CC(C)C[NH+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013785313	0	60	0.0	-70.74	416.63	8.88	-61.86
CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013785314	0	54	0.0	-68.14	390.22	8.24	-59.90
CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013785315	0	57	0.0	-75.06	414.28	8.57	-66.49
CC(C)C[NH+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013785316	0	54	0.0	-74.37	387.88	9.22	-65.15
CC(C)C[NH+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013785317	0	55	0.0	-74.98	404.44	8.63	-66.35
CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013785318	0	54	0.0	-71.53	395.32	7.86	-63.67
CC(C)C[NH+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013785319	0	54	0.0	-69.09	391.42	8.29	-60.80
CC(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013785320	0	55	0.0	-62.00	397.79	6.45	-55.55
CC(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013785321	0	52	0.0	-64.30	382.60	5.43	-58.87
CC(C)C[NH+]1CCC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013785322	0	63	0.0	-75.16	467.85	10.58	-64.58
CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013785323	0	49	0.0	-71.18	372.37	7.37	-63.81
CC(C)C[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013785324	0	55	0.0	-66.49	399.05	9.40	-57.09
CC(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013785325	0	51	0.0	-67.36	389.70	8.42	-58.94
CC(C)C[NH+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013785326	0	52	0.0	-77.57	378.01	7.80	-69.77
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CC(C)C)CC2)C1	REAL300013785327	0	55	0.0	-62.68	401.10	7.67	-55.01
CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013785328	0	49	0.0	-76.20	371.46	7.38	-68.82
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC(C(F)(F)F)CC2)CC1	REAL300013785360	1	48	0.0	-40.19	368.04	7.28	-32.91
O=C([O-])C[NH+]1CCC(NC(=O)NCCC(=O)N2CCOCC2)CC1	REAL300013785432	1	50	0.0	-45.68	383.21	3.14	-42.54
CS(=O)(=O)NC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCCC1	REAL300013785503	1	56	0.0	-42.63	410.33	3.48	-39.15
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785538	1	52	0.0	-73.03	365.46	7.19	-65.84
CC(C)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCOCC1	REAL300013785539	1	52	0.0	-75.80	387.12	7.41	-68.39
CC(C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785540	1	50	0.0	-74.68	356.64	5.76	-68.92
CC(C)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785541	1	55	0.0	-66.35	385.33	7.53	-58.82
CC(C)C(CNC(=O)NCCCCC(=O)[O-])[NH+]1CCOCC1	REAL300013785542	1	51	0.0	-75.96	372.25	5.51	-70.45
CC(C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCOCC1	REAL300013785543	1	52	0.0	-76.19	389.66	6.86	-69.33
CC(C)C(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCOCC1	REAL300013785544	1	54	0.0	-74.41	393.74	6.30	-68.11
CC(C)C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCOCC1	REAL300013785545	1	51	0.0	-72.07	362.14	5.47	-66.60
CC(C)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785546	1	52	0.0	-70.64	370.12	6.93	-63.71
CC(C)C(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785547	1	55	0.0	-55.54	386.22	7.82	-47.72
CC(C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785548	1	55	0.0	-72.52	377.75	7.60	-64.92
CC(C)C(CNC(=O)NCCCC(=O)[O-])[NH+]1CCOCC1	REAL300013785549	1	48	0.0	-69.33	350.75	4.73	-64.60
CC(C)C(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785550	1	55	0.0	-52.12	379.29	7.78	-44.34
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCOCC1	REAL300013785551	1	56	0.0	-60.08	388.75	4.95	-55.13
CC(C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCOCC1	REAL300013785552	1	54	0.0	-68.71	386.21	5.67	-63.04
CCC(CC)(CNC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300013785553	1	57	0.0	-54.83	393.81	6.63	-48.20
CC(C)C(CNC(=O)NCC(C)C(=O)[O-])[NH+]1CCOCC1	REAL300013785554	1	48	0.0	-73.75	346.92	4.67	-69.08
CC(C)C(CNC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300013785555	1	54	0.0	-59.25	380.70	6.07	-53.18
CC(C)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCOCC1	REAL300013785556	1	61	0.0	-72.79	420.84	7.32	-65.47
CC(C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCOCC1	REAL300013785557	1	58	0.0	-60.54	417.54	8.09	-52.45
CC(C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785558	1	52	0.0	-65.79	372.85	6.03	-59.76
CC(C)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785559	1	58	0.0	-72.00	403.14	8.64	-63.36
CC(C)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785560	1	54	0.0	-73.20	384.00	5.41	-67.79
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCOCC1	REAL300013785561	1	55	0.0	-59.47	387.13	6.82	-52.65
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[NH+]1CCOCC1	REAL300013785562	1	55	0.0	-71.35	377.75	7.83	-63.52
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCC1)[NH+]1CCOCC1	REAL300013785563	1	52	0.0	-59.33	373.27	5.97	-53.36
CC(C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300013785564	1	55	0.0	-73.15	397.78	6.82	-66.33
CC(C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785565	1	55	0.0	-72.52	377.75	7.60	-64.92
CC(C)C[C@H](CNC(=O)NCC(C(C)C)[NH+]1CCOCC1)CC(=O)[O-]	REAL300013785566	1	60	0.0	-65.66	422.77	7.37	-58.29
CC(C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+]1CCOCC1	REAL300013785567	1	52	0.0	-68.00	383.27	6.97	-61.03
COCC1(C(=O)[O-])CCN(C(=O)NCC(C(C)C)[NH+]2CCOCC2)C1	REAL300013785568	1	56	0.0	-76.13	402.67	5.96	-70.17
CC(C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785569	1	49	0.0	-69.50	356.53	5.36	-64.14
CC(C)C(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)N1CCOCC1	REAL300013785570	1	57	0.0	-35.58	398.10	3.61	-31.97
CC(C)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785571	1	52	0.0	-79.09	365.96	7.25	-71.84
CC(C)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785572	1	52	0.0	-54.47	363.22	7.18	-47.29
CC(C)C(CNC(=O)NC1CC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785573	1	49	0.0	-66.23	353.75	5.34	-60.89
CC(C)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785574	1	49	0.0	-71.16	357.77	5.48	-65.68
CC(C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCOCC1	REAL300013785575	1	52	0.0	-76.19	389.66	6.86	-69.33
CCC(CNC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300013785576	1	51	0.0	-61.01	364.73	5.61	-55.40
CC(C)C(CNC(=O)N1CCCCC1CCC(=O)[O-])[NH+]1CCOCC1	REAL300013785577	1	58	0.0	-80.99	399.10	8.53	-72.46
CC(C)C(CNC(=O)NCCCCCCCC(=O)[O-])[NH+]1CCOCC1	REAL300013785578	1	60	0.0	-73.63	434.19	7.93	-65.70
CC(C)C(CNC(=O)NCCCCCCC(=O)[O-])[NH+]1CCOCC1	REAL300013785579	1	57	0.0	-77.86	415.24	7.08	-70.78
CC(C)C(CNC(=O)N(C)CCCC(=O)[O-])[NH+]1CCOCC1	REAL300013785580	1	51	0.0	-74.83	368.44	7.14	-67.69
CC(C)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785581	1	55	0.0	-56.35	380.09	7.95	-48.40
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C(C)C)[NH+]2CCOCC2)C1	REAL300013785582	1	59	0.0	-81.15	414.00	7.29	-73.86
COCCN(CCC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCOCC1	REAL300013785583	1	55	0.0	-53.24	400.12	6.49	-46.75
CC(C)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785584	1	58	0.0	-60.82	405.58	8.62	-52.20
CC(C)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785585	1	56	0.0	-80.45	398.00	10.00	-70.45
CC(C)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785586	1	53	0.0	-67.19	376.53	5.16	-62.03
CC(C)C(CNC(=O)N1CC(C(=O)[O-])CCC1C)[NH+]1CCOCC1	REAL300013785587	1	55	0.0	-79.00	380.66	7.81	-71.19
CC(C)C(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785588	1	59	0.0	-62.86	428.14	9.87	-52.99
CC(C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785589	1	53	0.0	-57.84	374.83	4.76	-53.08
CC(C)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)[NH+]1CCOCC1	REAL300013785590	1	56	0.0	-71.86	409.11	8.04	-63.82
CC(C)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)[NH+]1CCOCC1	REAL300013785591	1	59	0.0	-76.41	415.62	7.23	-69.18
COCC1(C(=O)[O-])CCN(C(=O)NCC(C(C)C)[NH+]2CCOCC2)CC1	REAL300013785592	1	59	0.0	-72.94	408.97	6.74	-66.20
CC(C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[NH+]1CCOCC1	REAL300013785593	1	50	0.0	-78.50	367.11	5.57	-72.93
CC(C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)[NH+]1CCOCC1	REAL300013785594	1	61	0.0	-62.69	409.71	7.57	-55.12
CC(C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785595	1	55	0.0	-64.93	385.48	6.96	-57.97
CC(C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785596	1	58	0.0	-75.87	409.51	7.81	-68.06
CC(C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785597	1	55	0.0	-66.41	383.99	7.88	-58.53
CC(C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785598	1	56	0.0	-77.71	400.53	7.28	-70.43
CC(C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785599	1	55	0.0	-70.64	390.90	6.57	-64.07
CC(C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785600	1	55	0.0	-68.95	388.54	6.54	-62.41
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)[NH+]1CCOCC1	REAL300013785601	1	56	0.0	-59.28	393.50	5.40	-53.88
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)[NH+]1CCOCC1	REAL300013785602	1	53	0.0	-55.78	375.81	4.11	-51.67
CC(C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCOCC1	REAL300013785603	1	50	0.0	-69.97	368.28	5.96	-64.01
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785604	1	49	0.0	-56.59	357.18	5.59	-51.00
CC(C)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)[NH+]1CCOCC1	REAL300013785605	1	56	0.0	-60.70	391.55	8.08	-52.62
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[NH+]1CCOCC1	REAL300013785606	1	52	0.0	-70.96	384.88	7.15	-63.81
CC(C)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785607	1	53	0.0	-58.98	373.12	6.52	-52.46
COC1CC(C(=O)[O-])CN(C(=O)NCC(C(C)C)[NH+]2CCOCC2)C1	REAL300013785608	1	56	0.0	-57.66	394.50	6.95	-50.71
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785609	1	49	0.0	-74.43	352.18	6.37	-68.06
CC(C)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCOCC1	REAL300013785610	1	50	0.0	-76.35	365.25	6.57	-69.78
CC(C)C(CNC(=O)NC(C)CCC(=O)[O-])[NH+]1CCOCC1	REAL300013785611	1	51	0.0	-66.30	372.68	5.80	-60.50
O=C([O-])C1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013785612	1	51	0.0	-68.89	383.04	7.91	-60.98
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C=C1	REAL300013785613	1	51	0.0	-72.30	407.13	7.53	-64.77
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCO1	REAL300013785614	1	49	0.0	-58.31	376.11	6.36	-51.95
O=C([O-])C1CCC(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013785615	1	54	0.0	-64.23	404.02	7.61	-56.62
O=C([O-])CCCCNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013785616	1	50	0.0	-71.27	390.87	6.21	-65.06
O=C([O-])C1=CC(CNC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)=CC=C1	REAL300013785617	1	51	0.0	-72.58	407.14	7.53	-65.05
O=C([O-])CCNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013785618	1	44	0.0	-68.07	347.87	4.64	-63.43
O=C([O-])CCCCCNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013785619	1	53	0.0	-69.97	412.37	6.99	-62.98
CC(C)(CNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300013785620	1	50	0.0	-71.20	382.73	6.09	-65.11
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785621	1	51	0.0	-70.60	390.16	7.48	-63.12
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785622	1	54	0.0	-55.78	404.87	8.51	-47.27
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013785623	1	54	0.0	-69.15	397.23	8.23	-60.92
O=C([O-])CCCNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013785624	1	47	0.0	-65.86	369.37	5.43	-60.43
CC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1C(=O)[O-]	REAL300013785625	1	54	0.0	-73.15	399.28	8.35	-64.80
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCOCC1	REAL300013785626	1	55	0.0	-61.15	409.46	5.59	-55.56
CC(C)(CCNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300013785627	1	53	0.0	-66.91	402.07	6.31	-60.60
CCC(CC)(CNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300013785628	1	56	0.0	-59.56	412.31	7.45	-52.11
CC(CNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300013785629	1	47	0.0	-69.57	366.42	5.39	-64.18
CC(C)C(CNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300013785630	1	53	0.0	-62.23	405.16	6.59	-55.64
CC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013785631	1	60	0.0	-72.78	442.16	7.99	-64.79
CC(CNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013785632	1	57	0.0	-60.74	438.24	8.75	-51.99
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785633	1	51	0.0	-63.35	390.76	6.69	-56.66
O=C([O-])CCC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013785634	1	57	0.0	-70.34	423.89	9.38	-60.96
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1=CC=[NH+]C(N3CCCCC3)=C1)C2	REAL300013785635	1	53	0.0	-69.02	401.38	6.08	-62.94
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCCC1	REAL300013785636	1	54	0.0	-60.96	407.83	7.48	-53.48
CC1CN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCC1C(=O)[O-]	REAL300013785637	1	54	0.0	-66.04	396.44	8.65	-57.39
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCC1	REAL300013785638	1	51	0.0	-58.88	390.70	6.63	-52.25
O=C([O-])CC(CNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C1CC1	REAL300013785639	1	54	0.0	-69.23	414.88	7.41	-61.82
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013785640	1	54	0.0	-69.15	397.23	8.23	-60.92
CC(C)C[C@H](CNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)CC(=O)[O-]	REAL300013785641	1	59	0.0	-63.07	441.28	8.03	-55.04
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013785642	1	51	0.0	-66.89	400.74	7.65	-59.24
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785643	1	55	0.0	-70.84	421.09	6.60	-64.24
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785644	1	48	0.0	-66.10	374.45	5.99	-60.11
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785646	1	51	0.0	-52.96	383.28	7.90	-45.06
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785647	1	51	0.0	-73.95	383.83	7.93	-66.02
O=C([O-])C1CC(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785648	1	48	0.0	-66.78	374.77	6.00	-60.78
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785649	1	48	0.0	-68.24	374.32	6.05	-62.19
O=C([O-])C1=CC(CNC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)=CC=C1	REAL300013785650	1	51	0.0	-72.58	407.14	7.53	-65.05
CCC(CNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300013785651	1	50	0.0	-57.86	383.36	6.20	-51.66
O=C([O-])CCC1CCCCN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013785652	1	57	0.0	-76.56	417.23	9.31	-67.25
O=C([O-])CCCCCCCNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013785653	1	59	0.0	-72.21	455.37	8.55	-63.66
O=C([O-])CCCCCCNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013785654	1	56	0.0	-72.96	433.87	7.77	-65.19
CN(CCCC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013785655	1	50	0.0	-70.28	387.00	7.82	-62.46
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785656	1	54	0.0	-74.46	398.69	8.67	-65.79
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785657	1	58	0.0	-78.39	430.78	7.82	-70.57
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013785658	1	54	0.0	-54.30	418.69	7.18	-47.12
O=C([O-])CCC1CCCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785659	1	57	0.0	-73.97	424.12	9.35	-64.62
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC2=CC=CC=C21	REAL300013785660	1	55	0.0	-71.79	417.22	10.44	-61.35
O=C([O-])C(=O)N1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013785661	1	52	0.0	-63.98	396.31	6.67	-57.31
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013785662	1	54	0.0	-55.29	399.25	8.48	-46.81
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785663	1	52	0.0	-71.34	393.39	5.48	-65.86
O=C([O-])C1CC(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C2=CC=CC=C21	REAL300013785664	1	55	0.0	-70.07	429.82	8.76	-61.31
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013785665	1	58	0.0	-74.22	428.68	7.35	-66.87
O=C([O-])C12CC(NC(=O)NCC3=CC=[NH+]C(N4CCCCC4)=C3)(C1)C2	REAL300013785666	1	49	0.0	-73.40	384.55	6.22	-67.18
O=C([O-])CC1(CNC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCCCC1	REAL300013785667	1	60	0.0	-64.68	430.79	8.18	-56.50
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013785668	1	54	0.0	-62.71	405.33	7.65	-55.06
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013785669	1	57	0.0	-71.22	428.17	7.92	-63.30
O=C([O-])CC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013785670	1	54	0.0	-63.48	401.58	8.60	-54.88
O=C([O-])COC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013785671	1	55	0.0	-72.84	418.11	8.00	-64.84
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785672	1	54	0.0	-67.44	409.74	7.22	-60.22
O=C([O-])C1CCCC(NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785673	1	54	0.0	-64.51	405.33	7.64	-56.87
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCCOC1	REAL300013785674	1	55	0.0	-59.12	411.71	5.80	-53.32
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCOC1	REAL300013785675	1	52	0.0	-58.65	396.45	4.77	-53.88
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=[NH+]C(N3CCCCC3)=C1)C2	REAL300013785676	1	49	0.0	-66.20	385.97	6.71	-59.49
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC1	REAL300013785677	1	48	0.0	-57.40	374.95	6.38	-51.02
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CC12CCC2	REAL300013785678	1	55	0.0	-61.25	412.85	8.75	-52.50
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCO1	REAL300013785679	1	52	0.0	-74.52	391.74	7.16	-67.36
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785680	1	45	0.0	-61.59	355.62	6.20	-55.39
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785681	1	55	0.0	-55.45	416.63	6.93	-48.52
O=C([O-])C1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013785682	1	48	0.0	-69.38	370.50	6.99	-62.39
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=[NH+]C(N3CCCCC3)=C1)C2	REAL300013785683	1	49	0.0	-73.42	385.23	6.73	-66.69
CC(CCC(=O)[O-])NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013785684	1	50	0.0	-64.58	389.13	6.44	-58.14
CC1=NC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CS1	REAL300013785705	1	44	0.0	-44.13	360.51	4.73	-39.40
O=C([O-])C1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1	REAL300013785741	1	48	0.0	-67.61	367.93	7.00	-60.61
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C=C1	REAL300013785742	1	48	0.0	-72.74	392.04	6.62	-66.12
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCO1	REAL300013785743	1	46	0.0	-58.18	361.09	5.46	-52.72
O=C([O-])C1CCC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1	REAL300013785744	1	51	0.0	-64.69	388.92	6.70	-57.99
O=C([O-])CCCCNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300013785745	1	47	0.0	-72.00	375.78	5.30	-66.70
O=C([O-])C1=CC(CNC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)=CC=C1	REAL300013785746	1	48	0.0	-73.22	392.05	6.61	-66.61
O=C([O-])CCCCCNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300013785747	1	50	0.0	-70.63	397.28	6.08	-64.55
CC(C)(CNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300013785748	1	47	0.0	-72.05	368.23	5.18	-66.87
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785749	1	48	0.0	-71.40	375.13	6.58	-64.82
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785750	1	51	0.0	-55.60	389.75	7.58	-48.02
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1	REAL300013785751	1	51	0.0	-71.82	381.57	7.31	-64.51
O=C([O-])CCCNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300013785752	1	44	0.0	-66.38	354.28	4.52	-61.86
CC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1C(=O)[O-]	REAL300013785753	1	51	0.0	-55.71	387.78	7.54	-48.17
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCOCC1	REAL300013785754	1	52	0.0	-59.37	395.36	4.50	-54.87
CC(C)(CCNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300013785755	1	50	0.0	-67.45	386.99	5.39	-62.06
CCC(CC)(CNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300013785756	1	53	0.0	-61.99	399.88	6.20	-55.79
CC(CNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300013785757	1	44	0.0	-70.32	351.33	4.48	-65.84
CC(C)C(CNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300013785758	1	50	0.0	-60.51	383.73	5.81	-54.70
CC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013785759	1	57	0.0	-73.39	430.38	7.57	-65.82
CC(CNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013785760	1	54	0.0	-58.94	419.25	8.03	-50.91
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785761	1	48	0.0	-63.61	375.70	5.77	-57.84
O=C([O-])CCC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1	REAL300013785762	1	54	0.0	-71.40	408.78	8.46	-62.94
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1=CC=[NH+]C(N3CCCC3)=C1)C2	REAL300013785763	1	50	0.0	-68.75	382.32	5.19	-63.56
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCCC1	REAL300013785764	1	51	0.0	-61.37	392.74	6.58	-54.79
CC1CN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCC1C(=O)[O-]	REAL300013785765	1	51	0.0	-66.42	381.37	7.74	-58.68
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCC1	REAL300013785766	1	48	0.0	-59.15	375.66	5.72	-53.43
O=C([O-])CC(CNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C1CC1	REAL300013785767	1	51	0.0	-69.81	399.78	6.50	-63.31
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1	REAL300013785768	1	51	0.0	-71.82	381.57	7.31	-64.51
CC(C)C[C@H](CNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)CC(=O)[O-]	REAL300013785769	1	56	0.0	-63.52	426.38	7.10	-56.42
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300013785770	1	48	0.0	-67.62	385.65	6.73	-60.89
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785771	1	52	0.0	-71.09	406.01	5.70	-65.39
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785772	1	45	0.0	-67.30	359.42	5.08	-62.22
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785774	1	48	0.0	-54.06	368.23	6.98	-47.08
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785775	1	48	0.0	-56.95	369.44	7.06	-49.89
O=C([O-])C1CC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785776	1	45	0.0	-68.64	359.64	5.12	-63.52
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785777	1	45	0.0	-69.31	359.63	5.13	-64.18
O=C([O-])C1=CC(CNC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)=CC=C1	REAL300013785778	1	48	0.0	-73.22	392.05	6.61	-66.61
CCC(CNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300013785779	1	47	0.0	-57.75	368.27	5.29	-52.46
O=C([O-])CCC1CCCCN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300013785780	1	54	0.0	-77.68	402.18	8.37	-69.31
O=C([O-])CCCCCCCNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300013785781	1	56	0.0	-72.72	440.28	7.64	-65.08
O=C([O-])CCCCCCNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300013785782	1	53	0.0	-73.71	418.78	6.86	-66.85
CN(CCCC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300013785783	1	47	0.0	-70.81	371.91	6.93	-63.88
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785784	1	51	0.0	-75.54	383.62	7.77	-67.77
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785785	1	55	0.0	-79.35	415.72	6.92	-72.43
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300013785786	1	51	0.0	-53.99	403.60	6.28	-47.71
O=C([O-])CCC1CCCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785787	1	54	0.0	-74.98	409.11	8.44	-66.54
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC2=CC=CC=C21	REAL300013785788	1	52	0.0	-74.31	401.38	9.76	-64.55
O=C([O-])C(=O)N1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1	REAL300013785789	1	49	0.0	-64.50	381.26	5.77	-58.73
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300013785790	1	51	0.0	-54.21	383.99	7.62	-46.59
O=C([O-])[C@@H]1CN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C[C@H]1C1=CC=CC=C1	REAL300013785791	1	55	0.0	-59.56	430.92	9.52	-50.04
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785792	1	49	0.0	-72.29	378.36	4.57	-67.72
O=C([O-])C1CC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C2=CC=CC=C21	REAL300013785793	1	52	0.0	-68.32	410.24	7.63	-60.69
O=C([O-])CN1CCCCC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1=O	REAL300013785794	1	55	0.0	-84.68	420.36	6.84	-77.84
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1	REAL300013785795	1	55	0.0	-74.96	413.57	6.43	-68.53
O=C([O-])C12CC(NC(=O)NCC3=CC=[NH+]C(N4CCCC4)=C3)(C1)C2	REAL300013785796	1	46	0.0	-74.25	369.49	5.31	-68.94
O=C([O-])CC1(CNC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCCCC1	REAL300013785797	1	57	0.0	-67.74	415.60	7.29	-60.45
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1	REAL300013785798	1	51	0.0	-64.67	388.92	6.70	-57.97
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1	REAL300013785799	1	54	0.0	-71.79	413.10	7.00	-64.79
O=C([O-])CC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1	REAL300013785800	1	51	0.0	-71.40	386.47	7.68	-63.72
O=C([O-])COC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1	REAL300013785801	1	52	0.0	-71.29	403.01	7.09	-64.20
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785802	1	51	0.0	-68.43	394.15	6.30	-62.13
O=C([O-])C1CCCC(NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785803	1	51	0.0	-64.73	390.24	6.74	-57.99
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCCOC1	REAL300013785804	1	52	0.0	-59.45	396.62	4.89	-54.56
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCOC1	REAL300013785805	1	49	0.0	-58.57	381.42	3.86	-54.71
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=[NH+]C(N3CCCC3)=C1)C2	REAL300013785806	1	46	0.0	-66.66	370.91	5.81	-60.85
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC1	REAL300013785807	1	45	0.0	-56.69	359.56	5.34	-51.35
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CC12CCC2	REAL300013785808	1	52	0.0	-60.82	396.55	7.78	-53.04
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785809	1	48	0.0	-63.32	388.21	6.85	-56.47
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCO1	REAL300013785810	1	49	0.0	-75.54	376.60	6.24	-69.30
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785811	1	42	0.0	-61.97	340.52	5.30	-56.67
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785812	1	52	0.0	-55.35	401.58	6.02	-49.33
O=C([O-])C1CCN(C(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013785813	1	45	0.0	-70.07	355.42	6.09	-63.98
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=[NH+]C(N3CCCC3)=C1)C2	REAL300013785814	1	46	0.0	-73.95	370.17	5.82	-68.13
CC(CCC(=O)[O-])NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300013785815	1	47	0.0	-65.10	374.04	5.53	-59.57
COC1=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=N1	REAL300013785836	1	45	0.0	-37.92	359.84	2.94	-34.98
CCC(CC)C(CNC(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785872	1	58	0.0	-69.85	397.49	8.77	-61.08
CCC(CC)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCOCC1	REAL300013785873	0	58	0.0	-73.70	421.61	8.46	-65.24
CCC(CC)C(CNC(=O)N1CCOC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785874	1	56	0.0	-56.83	391.48	7.17	-49.66
CCC(CC)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785875	0	61	0.0	-63.07	411.69	8.01	-55.06
CCC(CC)C(CNC(=O)NCCCCC(=O)[O-])[NH+]1CCOCC1	REAL300013785876	0	57	0.0	-73.43	402.57	6.22	-67.21
CCC(CC)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCOCC1	REAL300013785877	0	58	0.0	-68.34	413.49	7.88	-60.46
CCC(CC)C(CNC(=O)NCCC(=O)[O-])[NH+]1CCOCC1	REAL300013785878	0	51	0.0	-69.14	359.58	4.64	-64.50
CCC(CC)C(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCOCC1	REAL300013785879	0	60	0.0	-71.90	424.07	7.01	-64.89
CCC(CC)C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCOCC1	REAL300013785880	0	57	0.0	-73.16	395.02	6.10	-67.06
CCC(CC)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785881	1	58	0.0	-64.79	396.58	7.84	-56.95
CCC(CC)C(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785882	1	61	0.0	-75.09	416.85	9.05	-66.04
CCC(CC)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785883	1	61	0.0	-72.14	407.50	8.61	-63.53
CCC(CC)C(CNC(=O)NCCCC(=O)[O-])[NH+]1CCOCC1	REAL300013785884	0	54	0.0	-66.70	381.07	5.45	-61.25
CCC(CC)C(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785885	1	61	0.0	-73.81	413.59	9.17	-64.64
CCC(CC)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCOCC1	REAL300013785886	0	62	0.0	-59.84	423.94	6.51	-53.33
CCC(CC)C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCOCC1	REAL300013785887	0	60	0.0	-67.72	413.78	6.31	-61.41
CCC(CC)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])[NH+]1CCOCC1	REAL300013785888	0	63	0.0	-57.40	421.96	7.28	-50.12
CCC(CC)C(CNC(=O)NCC(C)C(=O)[O-])[NH+]1CCOCC1	REAL300013785889	0	54	0.0	-70.32	377.25	5.39	-64.93
CCC(CC)C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300013785890	0	60	0.0	-55.66	409.18	6.70	-48.96
CCC(CC)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCOCC1	REAL300013785891	0	67	0.0	-76.42	454.74	8.56	-67.86
CCC(CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785892	0	58	0.0	-63.20	407.91	7.52	-55.68
CCC(CC)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785893	1	64	0.0	-71.83	438.33	10.25	-61.58
CCC(CC)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785894	1	60	0.0	-66.64	415.98	6.99	-59.65
CCC(CC)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCOCC1	REAL300013785895	0	61	0.0	-59.33	422.32	8.40	-50.93
CCC(CC)C(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[NH+]1CCOCC1	REAL300013785896	1	61	0.0	-70.38	410.78	9.46	-60.92
CCC(CC)C(CNC(=O)NCC1(C(=O)[O-])CCC1)[NH+]1CCOCC1	REAL300013785897	0	58	0.0	-54.28	396.22	7.14	-47.14
CCC(CC)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCOCC1	REAL300013785898	0	61	0.0	-64.79	421.87	7.84	-56.95
CCC(CC)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785899	1	61	0.0	-72.14	407.50	8.61	-63.53
CCC(CC)C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+]1CCOCC1	REAL300013785900	0	66	0.0	-63.42	453.51	8.70	-54.72
CCC(CC)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+]1CCOCC1	REAL300013785901	0	58	0.0	-58.39	407.11	8.00	-50.39
CCC(CC)C(CNC(=O)N1CCC(COC)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785902	1	62	0.0	-68.06	427.42	6.95	-61.11
CCC(CC)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785903	0	55	0.0	-64.01	380.79	6.35	-57.66
CCC(CC)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785905	1	58	0.0	-53.23	398.64	8.69	-44.54
CCC(CC)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785906	1	58	0.0	-54.16	399.68	8.42	-45.74
CCC(CC)C(CNC(=O)NC1CC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785907	0	55	0.0	-65.79	388.94	6.91	-58.88
CCC(CC)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785908	0	55	0.0	-68.88	387.15	6.58	-62.30
CCC(CC)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCOCC1	REAL300013785909	0	58	0.0	-68.34	413.49	7.88	-60.46
CCC(CNC(=O)NCC(C(CC)CC)[NH+]1CCOCC1)C(=O)[O-]	REAL300013785910	0	57	0.0	-57.65	400.08	6.10	-51.55
CCC(CC)C(CNC(=O)N1CCCCC1CCC(=O)[O-])[NH+]1CCOCC1	REAL300013785911	1	64	0.0	-77.35	433.13	10.16	-67.19
CCC(CC)C(CNC(=O)NCCCCCCCC(=O)[O-])[NH+]1CCOCC1	REAL300013785912	0	66	0.0	-74.38	467.07	8.56	-65.82
CCC(CC)C(CNC(=O)NCCCCCCC(=O)[O-])[NH+]1CCOCC1	REAL300013785913	0	63	0.0	-75.48	445.57	7.78	-67.70
CCC(CC)C(CNC(=O)N(C)CCCC(=O)[O-])[NH+]1CCOCC1	REAL300013785914	1	57	0.0	-73.41	398.71	7.82	-65.59
CCC(CC)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785915	1	61	0.0	-53.77	408.95	9.06	-44.71
CCC(CC)C(CNC(=O)N1CCCC(COC)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785916	1	65	0.0	-78.69	440.45	8.84	-69.85
CCC(CC)C(CNC(=O)N(CCOC)CCC(=O)[O-])[NH+]1CCOCC1	REAL300013785917	1	61	0.0	-49.39	428.98	7.13	-42.26
CCC(CC)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785918	1	64	0.0	-75.58	439.51	10.15	-65.43
CCC(CC)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785919	1	59	0.0	-68.55	406.62	6.93	-61.62
CCC(CC)C(CNC(=O)N1CC(C(=O)[O-])CCC1C)[NH+]1CCOCC1	REAL300013785920	1	61	0.0	-53.77	414.58	9.28	-44.49
CCC(CC)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785921	1	59	0.0	-55.20	403.70	5.87	-49.33
CCC(CC)C(CNC(=O)N1CCC(COC)(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785922	1	65	0.0	-74.86	437.68	8.47	-66.39
CCC(CC)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[NH+]1CCOCC1	REAL300013785923	0	56	0.0	-74.93	399.05	7.13	-67.80
CCC(CC)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)[NH+]1CCOCC1	REAL300013785924	0	67	0.0	-63.59	443.13	8.88	-54.71
CCC(CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785925	0	61	0.0	-64.31	415.63	8.12	-56.19
CCC(CC)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785926	0	64	0.0	-73.69	444.01	8.86	-64.83
CCC(CC)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785927	1	61	0.0	-63.57	416.02	9.48	-54.09
CCC(CC)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785928	1	62	0.0	-74.54	432.56	8.86	-65.68
CCC(CC)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785929	0	61	0.0	-67.84	418.86	8.48	-59.36
CCC(CC)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785930	0	61	0.0	-63.83	415.60	7.56	-56.27
CCC(CC)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)[NH+]1CCOCC1	REAL300013785931	0	62	0.0	-63.03	430.23	6.57	-56.46
CCC(CC)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)[NH+]1CCOCC1	REAL300013785932	0	59	0.0	-57.87	402.87	5.12	-52.75
CCC(CC)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCOCC1	REAL300013785933	0	56	0.0	-63.96	392.38	7.07	-56.89
CCC(CC)C(CNC(=O)NCC1(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300013785934	0	55	0.0	-53.59	381.01	6.61	-46.98
CCC(CC)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)[NH+]1CCOCC1	REAL300013785935	1	62	0.0	-59.01	424.68	9.59	-49.42
CCC(CC)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785936	1	59	0.0	-56.11	402.01	7.58	-48.53
CCC(CC)C(CNC(=O)N1CC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785937	1	52	0.0	-60.51	369.89	7.19	-53.32
CCC(CC)C(CNC(=O)N1CC(OC)CC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785938	1	62	0.0	-77.79	430.21	7.81	-69.98
CCC(CC)C(CNC(=O)N1CCC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013785939	1	55	0.0	-69.78	385.01	7.90	-61.88
CCC(CC)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCOCC1	REAL300013785940	0	56	0.0	-74.16	397.23	7.25	-66.91
CCC(CC)C(CNC(=O)NC(C)CCC(=O)[O-])[NH+]1CCOCC1	REAL300013785941	0	57	0.0	-63.57	400.83	6.45	-57.12
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCN(C)CC1	REAL300013785966	0	56	0.0	-66.80	388.48	7.17	-59.63
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300013785966	1	56	0.0	-75.23	392.34	6.47	-68.76
CC(C)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCN(C)CC1	REAL300013785967	0	56	0.0	-74.31	414.52	6.82	-67.49
CC(C)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300013785967	1	56	0.0	-75.34	418.88	7.39	-67.95
CC(C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013785968	0	54	0.0	-72.68	381.97	5.62	-67.06
CC(C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013785968	1	54	0.0	-74.15	388.05	6.25	-67.90
CC(C)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)[NH+]1CCN(C)CC1	REAL300013785969	0	59	0.0	-64.34	412.35	6.89	-57.45
CC(C)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300013785969	1	59	0.0	-74.44	421.52	7.08	-67.36
CC(C)C(CNC(=O)NCCCCC(=O)[O-])[NH+]1CCN(C)CC1	REAL300013785970	0	55	0.0	-72.30	399.65	5.51	-66.79
CC(C)C(CNC(=O)NCCCCC(=O)[O-])N1CC[NH+](C)CC1	REAL300013785970	1	55	0.0	-77.41	400.13	4.76	-72.65
CC(C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCN(C)CC1	REAL300013785971	0	56	0.0	-69.04	412.66	6.75	-62.29
CC(C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300013785971	1	56	0.0	-76.17	418.89	7.38	-68.79
CC(C)C(CNC(=O)NCCC(=O)[O-])[NH+]1CCN(C)CC1	REAL300013785972	0	49	0.0	-68.05	356.65	3.94	-64.11
CC(C)C(CNC(=O)NCCC(=O)[O-])N1CC[NH+](C)CC1	REAL300013785972	1	49	0.0	-74.57	357.13	3.18	-71.39
CC(C)C(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCN(C)CC1	REAL300013785973	0	58	0.0	-69.10	421.00	5.41	-63.69
CC(C)C(CNC(=O)NCCCCCC(=O)[O-])N1CC[NH+](C)CC1	REAL300013785973	1	58	0.0	-71.44	419.34	6.61	-64.83
CC(C)C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCN(C)CC1	REAL300013785974	0	55	0.0	-72.06	392.09	5.39	-66.67
CC(C)C(CNC(=O)NCC(C)(C)C(=O)[O-])N1CC[NH+](C)CC1	REAL300013785974	1	55	0.0	-77.91	391.99	4.66	-73.25
CC(C)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013785975	0	56	0.0	-74.87	394.47	6.69	-68.18
CC(C)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013785975	1	56	0.0	-72.03	402.22	7.40	-64.63
CC(C)C(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013785976	0	59	0.0	-77.73	398.06	7.65	-70.08
CC(C)C(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013785976	1	59	0.0	-53.46	410.79	8.01	-45.45
CC(C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCN(C)CC1	REAL300013785977	0	59	0.0	-71.46	403.94	7.37	-64.09
CC(C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300013785977	1	59	0.0	-77.54	406.53	6.79	-70.75
CC(C)C(CNC(=O)NCCCC(=O)[O-])[NH+]1CCN(C)CC1	REAL300013785978	0	52	0.0	-65.85	378.15	4.73	-61.12
CC(C)C(CNC(=O)NCCCC(=O)[O-])N1CC[NH+](C)CC1	REAL300013785978	1	52	0.0	-65.47	376.34	5.05	-60.42
CC(C)C(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013785979	0	59	0.0	-54.82	409.60	7.62	-47.20
CC(C)C(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013785979	1	59	0.0	-81.36	408.79	6.90	-74.46
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCN(C)CC1	REAL300013785980	0	60	0.0	-59.76	407.42	4.41	-55.35
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)N1CC[NH+](C)CC1	REAL300013785980	1	60	0.0	-68.25	418.92	4.14	-64.11
CC(C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCN(C)CC1	REAL300013785981	0	58	0.0	-68.05	409.12	5.49	-62.56
CC(C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])N1CC[NH+](C)CC1	REAL300013785981	1	58	0.0	-71.64	411.33	4.86	-66.78
CCC(CC)(CNC(=O)NCC(C(C)C)[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013785982	0	61	0.0	-58.50	421.43	6.29	-52.21
CCC(CC)(CNC(=O)NCC(C(C)C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013785982	1	61	0.0	-68.14	416.22	5.67	-62.47
CC(C)C(CNC(=O)NCC(C)C(=O)[O-])[NH+]1CCN(C)CC1	REAL300013785983	0	52	0.0	-71.09	372.00	4.55	-66.54
CC(C)C(CNC(=O)NCC(C)C(=O)[O-])N1CC[NH+](C)CC1	REAL300013785983	1	52	0.0	-75.43	374.80	3.93	-71.50
CC(C)C(CNC(=O)NCC(C(C)C)[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013785984	0	58	0.0	-59.59	411.62	5.76	-53.83
CC(C)C(CNC(=O)NCC(C(C)C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013785984	1	58	0.0	-66.99	409.16	5.23	-61.76
CC(C)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCN(C)CC1	REAL300013785985	0	65	0.0	-74.95	439.94	6.81	-68.14
CC(C)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)N1CC[NH+](C)CC1	REAL300013785985	1	65	0.0	-70.61	451.87	7.91	-62.70
CC(C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCN(C)CC1	REAL300013785986	0	62	0.0	-60.05	447.03	8.06	-51.99
CC(C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300013785986	1	62	0.0	-68.94	447.50	7.30	-61.64
CC(C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013785987	0	56	0.0	-61.94	394.95	5.89	-56.05
CC(C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013785987	1	56	0.0	-67.63	400.00	5.25	-62.38
CC(C)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[NH+]1CCN(C)CC1	REAL300013785988	0	62	0.0	-71.31	429.33	8.66	-62.65
CC(C)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300013785988	1	62	0.0	-78.69	433.13	7.92	-70.77
CC(C)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013785989	0	58	0.0	-70.92	399.79	4.95	-65.97
CC(C)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013785989	1	58	0.0	-72.81	403.13	4.49	-68.32
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCN(C)CC1	REAL300013785990	0	59	0.0	-55.46	416.61	6.79	-48.67
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)N1CC[NH+](C)CC1	REAL300013785990	1	59	0.0	-49.53	414.80	7.10	-42.43
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[NH+]1CCN(C)CC1	REAL300013785991	0	59	0.0	-70.13	403.26	7.81	-62.32
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)N1CC[NH+](C)CC1	REAL300013785991	1	59	0.0	-67.59	404.95	9.34	-58.25
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCC1)[NH+]1CCN(C)CC1	REAL300013785992	0	56	0.0	-53.67	398.63	6.09	-47.58
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCC1)N1CC[NH+](C)CC1	REAL300013785992	1	56	0.0	-65.67	402.50	6.49	-59.18
CC(C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCN(C)CC1	REAL300013785993	0	59	0.0	-70.73	422.58	6.66	-64.07
CC(C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)N1CC[NH+](C)CC1	REAL300013785993	1	59	0.0	-72.81	416.51	6.12	-66.69
CC(C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCN(C)CC1	REAL300013785994	0	59	0.0	-71.46	403.94	7.37	-64.09
CC(C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300013785994	1	59	0.0	-77.54	406.53	6.79	-70.75
CC(C)C[C@H](CNC(=O)NCC(C(C)C)[NH+]1CCN(C)CC1)CC(=O)[O-]	REAL300013785995	0	64	0.0	-63.33	449.43	7.33	-56.00
CC(C)C[C@H](CNC(=O)NCC(C(C)C)N1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013785995	1	64	0.0	-69.10	447.55	7.73	-61.37
CC(C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+]1CCN(C)CC1	REAL300013785996	0	56	0.0	-63.10	407.77	6.86	-56.24
CC(C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])N1CC[NH+](C)CC1	REAL300013785996	1	56	0.0	-72.27	412.50	7.49	-64.78
COCC1(C(=O)[O-])CCN(C(=O)NCC(C(C)C)[NH+]2CCN(C)CC2)C1	REAL300013785997	0	60	0.0	-71.34	428.90	5.78	-65.56
COCC1(C(=O)[O-])CCN(C(=O)NCC(C(C)C)N2CC[NH+](C)CC2)C1	REAL300013785997	1	60	0.0	-76.79	427.45	8.09	-68.70
CC(C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013785998	0	53	0.0	-68.19	381.87	5.28	-62.91
CC(C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013785998	1	53	0.0	-69.51	384.07	4.50	-65.01
CC(C)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013786000	0	56	0.0	-52.95	389.99	7.05	-45.90
CC(C)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013786000	1	56	0.0	-79.81	392.09	8.40	-71.41
CC(C)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013786001	0	56	0.0	-75.16	389.41	7.77	-67.39
CC(C)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013786001	1	56	0.0	-76.52	390.44	7.46	-69.06
CC(C)C(CNC(=O)NC1CC(C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013786002	0	53	0.0	-67.26	382.26	5.18	-62.08
CC(C)C(CNC(=O)NC1CC(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013786002	1	53	0.0	-70.37	384.10	4.55	-65.82
CC(C)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013786003	0	53	0.0	-70.00	372.65	4.86	-65.14
CC(C)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013786003	1	53	0.0	-66.63	380.20	5.69	-60.94
CC(C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCN(C)CC1	REAL300013786004	0	56	0.0	-69.04	412.66	6.75	-62.29
CC(C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300013786004	1	56	0.0	-76.17	418.89	7.38	-68.79
CCC(CNC(=O)NCC(C(C)C)[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013786005	0	55	0.0	-57.08	397.15	5.40	-51.68
CCC(CNC(=O)NCC(C(C)C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013786005	1	55	0.0	-66.61	392.61	4.75	-61.86
CC(C)C(CNC(=O)N1CCCCC1CCC(=O)[O-])[NH+]1CCN(C)CC1	REAL300013786006	0	62	0.0	-78.21	424.43	8.38	-69.83
CC(C)C(CNC(=O)N1CCCCC1CCC(=O)[O-])N1CC[NH+](C)CC1	REAL300013786006	1	62	0.0	-85.28	426.83	7.76	-77.52
CC(C)C(CNC(=O)NCCCCCCCC(=O)[O-])[NH+]1CCN(C)CC1	REAL300013786007	0	64	0.0	-74.42	461.82	7.73	-66.69
CC(C)C(CNC(=O)NCCCCCCCC(=O)[O-])N1CC[NH+](C)CC1	REAL300013786007	1	64	0.0	-74.53	462.33	8.17	-66.36
CC(C)C(CNC(=O)NCCCCCCC(=O)[O-])[NH+]1CCN(C)CC1	REAL300013786008	0	61	0.0	-75.61	440.33	6.95	-68.66
CC(C)C(CNC(=O)NCCCCCCC(=O)[O-])N1CC[NH+](C)CC1	REAL300013786008	1	61	0.0	-75.94	440.83	7.39	-68.55
CC(C)C(CNC(=O)N(C)CCCC(=O)[O-])[NH+]1CCN(C)CC1	REAL300013786009	0	55	0.0	-69.99	395.63	6.24	-63.75
CC(C)C(CNC(=O)N(C)CCCC(=O)[O-])N1CC[NH+](C)CC1	REAL300013786009	1	55	0.0	-80.40	396.26	6.37	-74.03
CC(C)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013786010	0	59	0.0	-77.41	405.38	7.83	-69.58
CC(C)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013786010	1	59	0.0	-64.46	410.56	8.55	-55.91
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C(C)C)[NH+]2CCN(C)CC2)C1	REAL300013786011	0	63	0.0	-54.58	428.29	7.35	-47.23
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C(C)C)N2CC[NH+](C)CC2)C1	REAL300013786011	1	63	0.0	-79.94	431.14	6.96	-72.98
COCCN(CCC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCN(C)CC1	REAL300013786012	0	59	0.0	-50.69	423.87	6.32	-44.37
COCCN(CCC(=O)[O-])C(=O)NCC(C(C)C)N1CC[NH+](C)CC1	REAL300013786012	1	59	0.0	-54.11	419.94	5.73	-48.38
CC(C)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013786013	0	62	0.0	-58.61	430.93	8.52	-50.09
CC(C)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013786013	1	62	0.0	-61.89	433.46	7.91	-53.98
CC(C)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013786014	0	60	0.0	-76.70	414.57	9.57	-67.13
CC(C)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013786014	1	60	0.0	-85.58	422.33	9.99	-75.59
CC(C)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[NH+]1CCN(C)CC1	REAL300013786015	0	57	0.0	-65.34	404.29	5.68	-59.66
CC(C)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300013786015	1	57	0.0	-72.50	405.32	5.24	-67.26
CC(C)C(CNC(=O)N1CC(C(=O)[O-])CCC1C)[NH+]1CCN(C)CC1	REAL300013786016	0	59	0.0	-76.91	406.01	7.60	-69.31
CC(C)C(CNC(=O)N1CC(C(=O)[O-])CCC1C)N1CC[NH+](C)CC1	REAL300013786016	1	59	0.0	-60.92	409.73	7.08	-53.84
CC(C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013786017	0	57	0.0	-56.54	392.67	4.14	-52.40
CC(C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013786017	1	57	0.0	-71.67	405.31	5.35	-66.32
CC(C)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)[NH+]1CCN(C)CC1	REAL300013786018	0	60	0.0	-69.98	434.90	7.96	-62.02
CC(C)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)N1CC[NH+](C)CC1	REAL300013786018	1	60	0.0	-73.42	441.81	8.68	-64.74
CC(C)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)[NH+]1CCN(C)CC1	REAL300013786019	0	63	0.0	-84.05	433.34	6.59	-77.46
CC(C)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)N1CC[NH+](C)CC1	REAL300013786019	1	63	0.0	-84.28	447.42	7.67	-76.61
COCC1(C(=O)[O-])CCN(C(=O)NCC(C(C)C)[NH+]2CCN(C)CC2)CC1	REAL300013786020	0	63	0.0	-76.53	435.48	6.51	-70.02
COCC1(C(=O)[O-])CCN(C(=O)NCC(C(C)C)N2CC[NH+](C)CC2)CC1	REAL300013786020	1	63	0.0	-77.78	437.94	5.92	-71.86
CC(C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[NH+]1CCN(C)CC1	REAL300013786021	0	54	0.0	-72.98	390.28	5.56	-67.42
CC(C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)N1CC[NH+](C)CC1	REAL300013786021	1	54	0.0	-73.66	396.39	6.12	-67.54
CC(C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)[NH+]1CCN(C)CC1	REAL300013786022	0	65	0.0	-67.55	439.05	7.50	-60.05
CC(C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)N1CC[NH+](C)CC1	REAL300013786022	1	65	0.0	-70.92	442.17	8.12	-62.80
CC(C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[NH+]1CCN(C)CC1	REAL300013786023	0	59	0.0	-64.64	410.49	7.37	-57.27
CC(C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300013786023	1	59	0.0	-64.98	414.83	6.26	-58.72
CC(C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[NH+]1CCN(C)CC1	REAL300013786024	0	62	0.0	-73.38	435.01	7.15	-66.23
CC(C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300013786024	1	62	0.0	-72.13	434.37	7.56	-64.57
CC(C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)[NH+]1CCN(C)CC1	REAL300013786025	0	59	0.0	-73.33	408.04	7.64	-65.69
CC(C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300013786025	1	59	0.0	-73.36	407.78	7.99	-65.37
CC(C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)[NH+]1CCN(C)CC1	REAL300013786026	0	60	0.0	-73.35	424.60	7.05	-66.30
CC(C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300013786026	1	60	0.0	-77.33	424.39	7.41	-69.92
CC(C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013786027	0	59	0.0	-65.50	414.93	6.54	-58.96
CC(C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013786027	1	59	0.0	-68.63	411.34	5.74	-62.89
CC(C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013786028	0	59	0.0	-68.43	416.26	6.44	-61.99
CC(C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013786028	1	59	0.0	-66.41	406.15	6.19	-60.22
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)[NH+]1CCN(C)CC1	REAL300013786029	0	60	0.0	-58.55	419.09	5.09	-53.46
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)N1CC[NH+](C)CC1	REAL300013786029	1	60	0.0	-68.51	426.51	5.95	-62.56
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)[NH+]1CCN(C)CC1	REAL300013786030	0	57	0.0	-58.87	403.53	3.99	-54.88
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)N1CC[NH+](C)CC1	REAL300013786030	1	57	0.0	-60.25	398.67	3.31	-56.94
CC(C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCN(C)CC1	REAL300013786031	0	54	0.0	-65.43	394.69	6.03	-59.40
CC(C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)N1CC[NH+](C)CC1	REAL300013786031	1	54	0.0	-71.67	398.31	6.63	-65.04
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CC1)[NH+]1CCN(C)CC1	REAL300013786032	0	53	0.0	-54.09	381.24	5.54	-48.55
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300013786032	1	53	0.0	-63.50	384.47	4.91	-58.59
CC(C)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)[NH+]1CCN(C)CC1	REAL300013786033	0	60	0.0	-63.51	420.28	7.97	-55.54
CC(C)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)N1CC[NH+](C)CC1	REAL300013786033	1	60	0.0	-65.52	421.77	7.27	-58.25
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[NH+]1CCN(C)CC1	REAL300013786034	0	56	0.0	-70.11	411.10	6.98	-63.13
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)N1CC[NH+](C)CC1	REAL300013786034	1	56	0.0	-67.10	413.17	6.34	-60.76
CC(C)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013786035	0	57	0.0	-77.24	398.54	6.33	-70.91
CC(C)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013786035	1	57	0.0	-78.34	393.78	5.64	-72.70
CC(C)C(CNC(=O)N1CC(C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013786036	0	50	0.0	-62.88	358.52	5.28	-57.60
CC(C)C(CNC(=O)N1CC(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013786036	1	50	0.0	-65.71	367.53	6.08	-59.63
COC1CC(C(=O)[O-])CN(C(=O)NCC(C(C)C)[NH+]2CCN(C)CC2)C1	REAL300013786037	0	60	0.0	-56.22	419.69	6.82	-49.40
COC1CC(C(=O)[O-])CN(C(=O)NCC(C(C)C)N2CC[NH+](C)CC2)C1	REAL300013786037	1	60	0.0	-65.79	426.87	6.87	-58.92
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013786038	0	53	0.0	-71.94	377.57	6.20	-65.74
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013786038	1	53	0.0	-75.55	379.97	5.43	-70.12
CC(C)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCN(C)CC1	REAL300013786039	0	54	0.0	-75.25	393.08	5.92	-69.33
CC(C)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)N1CC[NH+](C)CC1	REAL300013786039	1	54	0.0	-77.93	386.44	5.22	-72.71
CC(C)C(CNC(=O)NC(C)CCC(=O)[O-])[NH+]1CCN(C)CC1	REAL300013786040	0	55	0.0	-62.86	397.91	5.74	-57.12
CC(C)C(CNC(=O)NC(C)CCC(=O)[O-])N1CC[NH+](C)CC1	REAL300013786040	1	55	0.0	-66.72	396.09	6.06	-60.66
CC[NH+](CC)C(CNC(=O)N1CCC(C(=O)[O-])CC1)CC(C)C	REAL300013786041	0	56	0.0	-62.77	380.91	9.35	-53.42
CC[NH+](CC)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)CC(C)C	REAL300013786042	0	56	0.0	-71.81	410.06	8.51	-63.30
CC[NH+](CC)C(CNC(=O)N1CCOC(C(=O)[O-])C1)CC(C)C	REAL300013786043	0	54	0.0	-75.60	381.42	7.47	-68.13
CC[NH+](CC)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)CC(C)C	REAL300013786044	0	59	0.0	-64.86	407.93	9.16	-55.70
CC[NH+](CC)C(CNC(=O)NCCCCC(=O)[O-])CC(C)C	REAL300013786045	0	55	0.0	-70.92	390.03	7.28	-63.64
CC[NH+](CC)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)CC(C)C	REAL300013786046	0	56	0.0	-69.60	409.73	9.03	-60.57
CC[NH+](CC)C(CNC(=O)NCCCCCC(=O)[O-])CC(C)C	REAL300013786047	0	58	0.0	-71.81	415.46	8.36	-63.45
CC[NH+](CC)C(CNC(=O)NCC(C)(C)C(=O)[O-])CC(C)C	REAL300013786048	0	55	0.0	-71.55	386.97	7.91	-63.64
CC[NH+](CC)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)CC(C)C	REAL300013786049	0	56	0.0	-72.65	394.85	8.57	-64.08
CC[NH+](CC)C(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)CC(C)C	REAL300013786050	0	59	0.0	-54.52	406.11	10.38	-44.14
CC[NH+](CC)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)CC(C)C	REAL300013786051	0	59	0.0	-70.59	401.56	10.18	-60.41
CC[NH+](CC)C(CNC(=O)NCCCC(=O)[O-])CC(C)C	REAL300013786052	0	52	0.0	-65.60	373.61	7.24	-58.36
CC[NH+](CC)C(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)CC(C)C	REAL300013786053	0	59	0.0	-73.74	407.74	10.38	-63.36
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)CC(C)C	REAL300013786054	0	60	0.0	-54.18	413.81	7.56	-46.62
CC[NH+](CC)C(CNC(=O)NCCC(C)(C)C(=O)[O-])CC(C)C	REAL300013786055	0	58	0.0	-65.27	401.23	7.37	-57.90
CC[NH+](CC)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])CC(C)C	REAL300013786056	0	61	0.0	-51.43	409.42	8.34	-43.09
CC[NH+](CC)C(CNC(=O)NCC(C)C(=O)[O-])CC(C)C	REAL300013786057	0	52	0.0	-68.24	365.10	6.95	-61.29
CC[NH+](CC)C(CNC(=O)NCC(C(=O)[O-])C(C)C)CC(C)C	REAL300013786058	0	58	0.0	-59.50	399.90	8.13	-51.37
CC[NH+](CC)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CC(C)C	REAL300013786059	0	65	0.0	-74.75	440.97	9.52	-65.23
CC[NH+](CC)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CC(C)C	REAL300013786060	0	62	0.0	-56.45	443.93	10.58	-45.87
CC[NH+](CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC(C)C	REAL300013786061	0	56	0.0	-62.90	395.47	7.48	-55.42
CC[NH+](CC)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)CC(C)C	REAL300013786062	0	62	0.0	-74.39	424.97	10.74	-63.65
CC[NH+](CC)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)CC(C)C	REAL300013786063	0	58	0.0	-64.65	405.99	8.09	-56.56
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)CC(C)C	REAL300013786064	0	59	0.0	-54.72	410.42	8.99	-45.73
CC[NH+](CC)C(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)CC(C)C	REAL300013786065	0	59	0.0	-65.36	393.56	9.44	-55.92
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCC1)CC(C)C	REAL300013786066	0	56	0.0	-55.38	387.55	7.41	-47.97
CC[NH+](CC)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)CC(C)C	REAL300013786067	0	59	0.0	-66.99	418.03	8.47	-58.52
CC[NH+](CC)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)CC(C)C	REAL300013786068	0	59	0.0	-70.59	401.56	10.18	-60.41
CC[NH+](CC)C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC(C)C	REAL300013786069	0	64	0.0	-65.56	440.02	8.86	-56.70
CC[NH+](CC)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])CC(C)C	REAL300013786070	0	56	0.0	-64.08	405.41	9.65	-54.43
CC[NH+](CC)C(CNC(=O)N1CCC(COC)(C(=O)[O-])C1)CC(C)C	REAL300013786071	0	60	0.0	-65.08	424.67	7.54	-57.54
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CC(C)C	REAL300013786072	0	53	0.0	-65.94	371.61	6.77	-59.17
CC[NH+](CC)C(CNC(=O)NC1CCN(CC(=O)[O-])CC1)CC(C)C	REAL300013786073	0	61	0.0	-69.11	421.66	6.56	-62.55
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)CC(C)C	REAL300013786074	0	56	0.0	-73.21	379.98	8.67	-64.54
CC[NH+](CC)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)CC(C)C	REAL300013786075	0	56	0.0	-55.94	389.80	9.57	-46.37
CC[NH+](CC)C(CNC(=O)NC1CC(C(=O)[O-])C1)CC(C)C	REAL300013786076	0	53	0.0	-65.23	378.80	7.96	-57.27
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)CC(C)C	REAL300013786077	0	53	0.0	-68.33	376.99	7.56	-60.77
CC[NH+](CC)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)CC(C)C	REAL300013786078	0	56	0.0	-69.60	409.73	9.03	-60.57
CCC(CNC(=O)NCC(CC(C)C)[NH+](CC)CC)C(=O)[O-]	REAL300013786079	0	55	0.0	-56.37	390.96	7.62	-48.75
CC[NH+](CC)C(CNC(=O)N1CCCCC1CCC(=O)[O-])CC(C)C	REAL300013786080	0	62	0.0	-73.88	425.21	10.69	-63.19
CC[NH+](CC)C(CNC(=O)NCCCCCCCC(=O)[O-])CC(C)C	REAL300013786081	0	64	0.0	-72.80	461.06	10.38	-62.42
CC[NH+](CC)C(CNC(=O)NCCCCCCC(=O)[O-])CC(C)C	REAL300013786082	0	61	0.0	-72.98	433.02	8.84	-64.14
CC[NH+](CC)C(CNC(=O)N(C)CCCC(=O)[O-])CC(C)C	REAL300013786083	0	55	0.0	-66.80	388.75	8.76	-58.04
CC[NH+](CC)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)CC(C)C	REAL300013786084	0	59	0.0	-76.01	407.82	9.81	-66.20
CC[NH+](CC)C(CNC(=O)N1CCCC(COC)(C(=O)[O-])C1)CC(C)C	REAL300013786085	0	63	0.0	-79.90	427.66	8.58	-71.32
CC[NH+](CC)C(CNC(=O)N(CCOC)CCC(=O)[O-])CC(C)C	REAL300013786086	0	59	0.0	-50.98	421.63	9.13	-41.85
CC[NH+](CC)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)CC(C)C	REAL300013786087	0	62	0.0	-76.44	429.42	10.45	-65.99
CC[NH+](CC)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)CC(C)C	REAL300013786088	0	60	0.0	-71.56	421.04	12.41	-59.15
CC[NH+](CC)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)CC(C)C	REAL300013786089	0	57	0.0	-61.79	392.49	8.16	-53.63
CC[NH+](CC)C(CNC(=O)N1CC(C(=O)[O-])CCC1C)CC(C)C	REAL300013786090	0	59	0.0	-51.40	396.33	9.28	-42.12
CC[NH+](CC)C(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)CC(C)C	REAL300013786091	0	63	0.0	-58.55	445.23	12.00	-46.55
CC[NH+](CC)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)CC(C)C	REAL300013786092	0	57	0.0	-71.29	402.50	6.61	-64.68
CC[NH+](CC)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)CC(C)C	REAL300013786093	0	60	0.0	-66.79	426.25	10.21	-56.58
CC[NH+](CC)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)CC(C)C	REAL300013786094	0	63	0.0	-81.77	439.90	9.76	-72.01
CC[NH+](CC)C(CNC(=O)N1CCC(COC)(C(=O)[O-])CC1)CC(C)C	REAL300013786095	0	63	0.0	-70.95	432.83	9.28	-61.67
CC[NH+](CC)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)CC(C)C	REAL300013786096	0	54	0.0	-72.94	385.26	7.54	-65.40
CC[NH+](CC)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)CC(C)C	REAL300013786097	0	65	0.0	-64.40	433.85	9.40	-55.00
CC[NH+](CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)CC(C)C	REAL300013786098	0	59	0.0	-64.44	408.63	9.41	-55.03
CC[NH+](CC)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)CC(C)C	REAL300013786099	0	62	0.0	-72.00	432.90	9.70	-62.30
CC[NH+](CC)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)CC(C)C	REAL300013786100	0	59	0.0	-70.95	399.95	10.06	-60.89
CC[NH+](CC)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)CC(C)C	REAL300013786101	0	60	0.0	-68.59	415.97	9.43	-59.16
CC[NH+](CC)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)CC(C)C	REAL300013786102	0	59	0.0	-67.17	414.10	9.23	-57.94
CC[NH+](CC)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)CC(C)C	REAL300013786103	0	59	0.0	-66.52	413.95	9.00	-57.52
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)CC(C)C	REAL300013786104	0	60	0.0	-56.85	418.88	8.09	-48.76
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)CC(C)C	REAL300013786105	0	57	0.0	-57.59	395.24	6.31	-51.28
CC[NH+](CC)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)CC(C)C	REAL300013786106	0	54	0.0	-67.32	395.22	7.81	-59.51
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CC1)CC(C)C	REAL300013786107	0	53	0.0	-52.53	371.45	7.03	-45.50
CC[NH+](CC)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)CC(C)C	REAL300013786108	0	60	0.0	-61.14	415.79	9.97	-51.17
CC[NH+](CC)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)CC(C)C	REAL300013786109	0	56	0.0	-64.63	408.04	9.48	-55.15
CC[NH+](CC)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)CC(C)C	REAL300013786110	0	57	0.0	-76.48	397.01	8.26	-68.22
CC[NH+](CC)C(CNC(=O)N1CC(OC)CC(C(=O)[O-])C1)CC(C)C	REAL300013786111	0	60	0.0	-75.68	406.26	8.25	-67.43
CC[NH+](CC)C(CNC(=O)N1CCC(C(=O)[O-])C1)CC(C)C	REAL300013786112	0	53	0.0	-68.38	374.76	8.99	-59.39
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)CC(C)C	REAL300013786113	0	54	0.0	-73.10	382.06	7.50	-65.60
CC[NH+](CC)C(CNC(=O)NC(C)CCC(=O)[O-])CC(C)C	REAL300013786114	0	55	0.0	-62.81	395.50	8.18	-54.63
CC1=NNC=C1CCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013786135	1	48	0.0	-40.37	376.67	4.85	-35.52
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(C(=O)C3=COC=C3)CC2)CC1	REAL300013786203	1	53	0.0	-42.95	407.59	5.59	-37.36
COC1=CC=C(OC)C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013786274	1	50	0.0	-37.73	391.06	4.88	-32.85
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300013786316	0	58	0.0	-73.02	444.69	12.26	-60.76
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300013786317	0	56	0.0	-68.66	437.84	10.74	-57.92
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)NCCCCC(=O)[O-])C=C1	REAL300013786318	0	57	0.0	-71.26	452.48	10.57	-60.69
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)NCCC(=O)[O-])C=C1	REAL300013786319	0	51	0.0	-67.10	409.50	8.99	-58.11
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013786320	0	60	0.0	-71.09	473.99	11.35	-59.74
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013786321	0	57	0.0	-69.42	444.36	10.45	-58.97
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300013786322	0	58	0.0	-81.31	448.26	11.87	-69.44
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013786323	0	54	0.0	-65.98	431.00	9.79	-56.19
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013786324	0	60	0.0	-67.03	463.69	10.66	-56.37
CC(CNC(=O)NCC1=CC=CC=C1C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013786325	0	54	0.0	-69.11	428.05	9.75	-59.36
CC(C)C(CNC(=O)NCC1=CC=CC=C1C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013786326	0	60	0.0	-68.37	460.39	11.05	-57.32
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013786327	0	58	0.0	-64.71	452.42	11.04	-53.67
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCC2)C=C1	REAL300013786328	0	58	0.0	-66.93	452.37	10.99	-55.94
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013786329	0	55	0.0	-69.04	436.47	10.38	-58.66
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013786330	0	58	0.0	-64.58	445.90	12.25	-52.33
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300013786331	0	58	0.0	-59.54	446.12	12.32	-47.22
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300013786332	0	55	0.0	-69.28	436.45	10.36	-58.92
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300013786333	0	55	0.0	-70.07	435.94	10.43	-59.64
CCC(CNC(=O)NCC1=CC=CC=C1C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013786334	0	57	0.0	-55.20	449.99	10.45	-44.75
CN(CCCC(=O)[O-])C(=O)NCC1=CC=CC=C1C1=CC=C(C[NH+](C)C)C=C1	REAL300013786335	0	57	0.0	-60.20	448.62	12.19	-48.01
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300013786336	0	56	0.0	-72.10	446.31	10.59	-61.51
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013786337	0	56	0.0	-71.25	447.96	11.10	-60.15
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013786338	0	55	0.0	-64.53	436.62	10.73	-53.80
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])C2)C=C1	REAL300013786339	0	52	0.0	-60.76	417.34	10.59	-50.17
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300013786340	0	55	0.0	-66.15	432.13	11.36	-54.79
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013786341	0	56	0.0	-68.66	446.93	11.12	-57.54
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC=C1C1=CC=C(C[NH+](C)C)C=C1	REAL300013786342	0	57	0.0	-69.51	450.75	10.80	-58.71
O=C([O-])CCNC(=O)NCC1=CC=CC=C1C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300013786343	0	55	0.0	-65.04	434.32	10.14	-54.90
O=C([O-])CCCNC(=O)NCC1=CC=CC=C1C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300013786344	0	58	0.0	-64.13	455.81	10.94	-53.19
CC(CNC(=O)NCC1=CC=CC=C1C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013786345	0	58	0.0	-66.68	451.99	10.88	-55.80
O=C([O-])C1CN(C(=O)NCC2=CC=CC=C2C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300013786346	0	56	0.0	-58.66	442.11	11.74	-46.92
O=C([O-])C[NH+]1CCC(NC(=O)NCCNC(=O)C2=CC=C(Cl)C=C2)CC1	REAL300013786379	1	49	0.0	-41.08	406.05	5.21	-35.87
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=CN=C2)CC1	REAL300013786425	1	44	0.0	-43.92	349.48	5.26	-38.66
O=C([O-])C[NH+]1CCC(NC(=O)NCCNC(=O)C2=CC=CC=C2Cl)CC1	REAL300013786481	1	49	0.0	-42.96	401.86	5.20	-37.76
O=C([O-])C[NH+]1CCC(NC(=O)NCC2COCCO2)CC1	REAL300013786527	1	44	0.0	-37.14	339.28	2.48	-34.66
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300013786550	0	55	0.0	-75.95	421.13	9.39	-66.56
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300013786551	0	55	0.0	-78.69	445.32	9.02	-69.67
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300013786552	0	53	0.0	-69.82	414.36	7.85	-61.97
C[NH+](C)CCOC1=CC=C(CCNC(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300013786553	0	58	0.0	-73.15	443.52	9.14	-64.01
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCCCCC(=O)[O-])C=C1	REAL300013786554	0	54	0.0	-76.69	429.05	7.70	-68.99
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013786555	0	55	0.0	-79.89	445.32	9.01	-70.88
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCCC(=O)[O-])C=C1	REAL300013786556	0	48	0.0	-74.44	386.06	6.12	-68.32
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013786557	0	57	0.0	-76.14	450.55	8.47	-67.67
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013786558	0	54	0.0	-76.79	421.49	7.58	-69.21
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300013786559	0	55	0.0	-80.88	425.56	9.04	-71.84
CC1CC(C(=O)[O-])CN(C(=O)NCCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300013786560	0	58	0.0	-80.05	443.56	10.00	-70.05
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013786561	0	58	0.0	-76.99	435.41	9.72	-67.27
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCCCC(=O)[O-])C=C1	REAL300013786562	0	51	0.0	-72.70	407.55	6.92	-65.78
CC1CCN(C(=O)NCCC2=CC=C(OCC[NH+](C)C)C=C2)CC1C(=O)[O-]	REAL300013786563	0	58	0.0	-79.43	437.39	9.85	-69.58
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013786564	0	59	0.0	-71.66	447.64	7.08	-64.58
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013786565	0	57	0.0	-73.43	440.84	7.81	-65.62
CCC(CC)(CNC(=O)NCCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013786566	0	60	0.0	-69.54	450.49	8.93	-60.61
CC(CNC(=O)NCCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013786567	0	51	0.0	-75.48	404.61	6.87	-68.61
CC(C)C(CNC(=O)NCCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013786568	0	57	0.0	-69.23	435.38	8.18	-61.05
C[NH+](C)CCOC1=CC=C(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013786569	0	55	0.0	-73.64	429.31	8.20	-65.44
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300013786570	0	61	0.0	-77.20	462.07	10.85	-66.35
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C=C1	REAL300013786571	0	57	0.0	-78.51	439.71	7.58	-70.93
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013786572	0	58	0.0	-72.10	446.01	8.96	-63.14
CC1CN(C(=O)NCCC2=CC=C(OCC[NH+](C)C)C=C2)CCC1C(=O)[O-]	REAL300013786573	0	58	0.0	-74.05	434.56	10.13	-63.92
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC2(C(=O)[O-])CCC2)C=C1	REAL300013786574	0	55	0.0	-70.30	428.94	8.12	-62.18
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300013786575	0	58	0.0	-77.86	453.06	8.89	-68.97
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013786576	0	58	0.0	-76.99	435.41	9.72	-67.27
CC(C)C[C@H](CNC(=O)NCCC1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013786577	0	63	0.0	-76.32	474.04	9.34	-66.98
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013786578	0	55	0.0	-78.39	438.93	9.13	-69.26
COCC1(C(=O)[O-])CCN(C(=O)NCCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300013786579	0	59	0.0	-80.44	459.27	8.09	-72.35
C[NH+](C)CCOC1=CC=C(CCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013786580	0	52	0.0	-73.99	412.70	7.48	-66.51
C[NH+](C)CCOC1=CC=C(CCNC(=O)NC2CCN(CC(=O)[O-])CC2)C=C1	REAL300013786581	0	60	0.0	-78.14	460.60	6.51	-71.63
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013786582	0	55	0.0	-67.64	421.43	9.38	-58.26
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300013786583	0	55	0.0	-68.66	422.67	9.45	-59.21
C[NH+](C)CCOC1=CC=C(CCNC(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300013786584	0	52	0.0	-75.47	412.49	7.53	-67.94
C[NH+](C)CCOC1=CC=C(CCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300013786585	0	52	0.0	-75.09	412.85	7.53	-67.56
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013786586	0	55	0.0	-79.89	445.32	9.01	-70.88
CCC(CNC(=O)NCCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013786587	0	54	0.0	-71.00	426.55	7.59	-63.41
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCCCC2CCC(=O)[O-])C=C1	REAL300013786588	0	61	0.0	-84.48	455.39	10.78	-73.70
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300013786589	0	63	0.0	-77.69	493.54	10.05	-67.64
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCCCCCCC(=O)[O-])C=C1	REAL300013786590	0	60	0.0	-78.14	472.05	9.25	-68.89
CN(CCCC(=O)[O-])C(=O)NCCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300013786591	0	54	0.0	-78.01	425.18	9.32	-68.69
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300013786592	0	58	0.0	-80.33	436.88	10.16	-70.17
COCCN(CCC(=O)[O-])C(=O)NCCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300013786593	0	58	0.0	-68.04	456.87	8.67	-59.37
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300013786594	0	61	0.0	-79.82	462.41	10.85	-68.97
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C=C1	REAL300013786595	0	56	0.0	-71.17	434.56	8.15	-63.02
CC1CCC(C(=O)[O-])CN1C(=O)NCCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300013786596	0	58	0.0	-67.77	437.44	9.94	-57.83
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300013786597	0	56	0.0	-77.76	431.57	6.98	-70.78
C[NH+](C)CCOC1=CC=C(CCNC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300013786598	0	53	0.0	-79.04	422.76	7.71	-71.33
C[NH+](C)CCOC1=CC=C(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300013786599	0	58	0.0	-73.08	443.52	9.15	-63.93
C[NH+](C)CCOC1=CC=C(CCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300013786600	0	61	0.0	-77.94	466.37	9.41	-68.53
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300013786601	0	58	0.0	-71.91	439.67	10.10	-61.81
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCC(OCC(=O)[O-])CC2)C=C1	REAL300013786602	0	59	0.0	-79.32	456.29	9.46	-69.86
C[NH+](C)CCOC1=CC=C(CCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013786603	0	58	0.0	-75.22	447.94	8.72	-66.50
C[NH+](C)CCOC1=CC=C(CCNC(=O)NC2CCCC(C(=O)[O-])C2)C=C1	REAL300013786604	0	58	0.0	-72.97	443.52	9.13	-63.84
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300013786605	0	59	0.0	-70.47	449.89	7.27	-63.20
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300013786606	0	56	0.0	-70.26	434.69	6.25	-64.01
C[NH+](C)CCOC1=CC=C(CCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013786607	0	53	0.0	-75.57	424.18	8.20	-67.37
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013786608	0	52	0.0	-69.34	413.20	7.85	-61.49
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1	REAL300013786609	0	59	0.0	-71.00	451.03	10.22	-60.78
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300013786610	0	56	0.0	-80.22	429.83	8.66	-71.56
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CC(C(=O)[O-])C2)C=C1	REAL300013786611	0	49	0.0	-70.32	393.57	7.78	-62.54
COC1CC(C(=O)[O-])CN(C(=O)NCCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300013786612	0	59	0.0	-70.03	453.04	8.50	-61.53
C[NH+](C)CCOC1=CC=C(CCNC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300013786613	0	52	0.0	-76.23	408.68	8.49	-67.74
C[NH+](C)CCOC1=CC=C(CCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013786614	0	53	0.0	-78.88	423.44	8.23	-70.65
CC(CCC(=O)[O-])NC(=O)NCCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300013786615	0	54	0.0	-72.13	427.31	7.94	-64.19
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=C(Cl)C=C2)C2CCC2)CC1	REAL300013786648	1	52	0.0	-35.41	408.87	9.47	-25.94
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=C(Cl)C=C2)C2CCCC2)CC1	REAL300013786719	1	55	0.0	-35.96	420.18	9.94	-26.02
CC1=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)SC=N1	REAL300013786765	1	41	0.0	-37.15	337.44	4.02	-33.13
CCCCCCCCCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013786934	1	65	0.0	-35.32	487.82	11.02	-24.30
O=C([O-])C1CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CC1	REAL300013786976	0	47	0.0	-72.93	350.47	6.06	-66.87
O=C([O-])C1CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)CC1	REAL300013786976	1	47	0.0	-68.65	342.83	5.88	-62.77
O=C([O-])C1=CC=C(CNC(=O)NCC2C[N@@H+]3CCCC3CO2)C=C1	REAL300013786977	0	47	0.0	-76.30	372.90	5.62	-70.68
O=C([O-])C1=CC=C(CNC(=O)NCC2C[N@H+]3CCCC3CO2)C=C1	REAL300013786977	1	47	0.0	-74.37	367.08	5.51	-68.86
O=C([O-])C1CN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CCO1	REAL300013786978	0	45	0.0	-63.77	341.94	4.45	-59.32
O=C([O-])C1CN(C(=O)NCC2C[N@H+]3CCCC3CO2)CCO1	REAL300013786978	1	45	0.0	-63.33	335.93	4.33	-59.00
O=C([O-])C1CCC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CC1	REAL300013786979	0	50	0.0	-77.27	375.53	5.31	-71.96
O=C([O-])C1CCC(NC(=O)NCC2C[N@H+]3CCCC3CO2)CC1	REAL300013786979	1	50	0.0	-66.67	365.29	5.63	-61.04
O=C([O-])C1=CC(CNC(=O)NCC2C[N@@H+]3CCCC3CO2)=CC=C1	REAL300013786980	0	47	0.0	-77.13	372.91	5.62	-71.51
O=C([O-])C1=CC(CNC(=O)NCC2C[N@H+]3CCCC3CO2)=CC=C1	REAL300013786980	1	47	0.0	-73.65	367.08	5.50	-68.15
O=C([O-])CCCCCNC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300013786981	0	49	0.0	-71.04	371.83	5.08	-65.96
O=C([O-])CCCCCNC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300013786981	1	49	0.0	-73.96	378.04	5.10	-68.86
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CC1	REAL300013786982	0	57	0.0	-80.87	427.16	9.47	-71.40
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)CC1	REAL300013786982	1	57	0.0	-70.31	415.46	8.99	-61.32
CC1(C(=O)[O-])CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013786983	0	47	0.0	-78.54	353.14	5.63	-72.91
CC1(C(=O)[O-])CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013786983	1	47	0.0	-70.83	350.11	5.46	-65.37
CC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013786984	0	50	0.0	-61.12	366.11	6.80	-54.32
CC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013786984	1	50	0.0	-73.21	365.10	6.54	-66.67
CC1(C(=O)[O-])CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CC1	REAL300013786985	0	50	0.0	-69.81	355.91	6.23	-63.58
CC1(C(=O)[O-])CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)CC1	REAL300013786985	1	50	0.0	-71.70	356.51	6.19	-65.51
CC1CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CC1C(=O)[O-]	REAL300013786986	0	50	0.0	-60.68	354.09	6.26	-54.42
CC1CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)CC1C(=O)[O-]	REAL300013786986	1	50	0.0	-72.45	359.16	6.33	-66.12
O=C([O-])C1(CNC(=O)NCC2C[N@@H+]3CCCC3CO2)CCOCC1	REAL300013786987	0	51	0.0	-62.48	369.00	3.69	-58.79
O=C([O-])C1(CNC(=O)NCC2C[N@H+]3CCCC3CO2)CCOCC1	REAL300013786987	1	51	0.0	-63.23	369.22	3.58	-59.65
CC(C)(CCNC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300013786988	0	49	0.0	-71.52	368.43	4.42	-67.10
CC(C)(CCNC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300013786988	1	49	0.0	-71.13	368.32	4.42	-66.71
CCC(CC)(CNC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300013786989	0	52	0.0	-61.24	369.72	5.36	-55.88
CCC(CC)(CNC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300013786989	1	52	0.0	-65.59	380.63	5.22	-60.37
CC(C)C(CNC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300013786990	0	49	0.0	-63.98	364.67	4.80	-59.18
CC(C)C(CNC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300013786990	1	49	0.0	-64.42	365.11	4.55	-59.87
CC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013786991	0	56	0.0	-76.77	411.56	6.25	-70.52
CC(NC(=O)NCC1C[N@H+]2CCCC2CO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013786991	1	56	0.0	-77.62	411.38	6.29	-71.33
CC(CNC(=O)NCC1C[N@@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300013786992	0	53	0.0	-65.45	398.64	7.07	-58.38
CC(CNC(=O)NCC1C[N@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300013786992	1	53	0.0	-64.67	398.11	6.73	-57.94
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013786993	0	47	0.0	-68.29	350.21	4.68	-63.61
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013786993	1	47	0.0	-65.91	350.53	4.70	-61.21
O=C([O-])CCC1CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CC1	REAL300013786994	0	53	0.0	-74.77	389.72	7.41	-67.36
O=C([O-])CCC1CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)CC1	REAL300013786994	1	53	0.0	-71.46	383.62	7.32	-64.14
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1C[N@@H+]3CCCC3CO1)C2	REAL300013786995	0	49	0.0	-75.95	367.09	4.16	-71.79
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1C[N@H+]3CCCC3CO1)C2	REAL300013786995	1	49	0.0	-71.96	366.18	4.34	-67.62
O=C([O-])C1(CNC(=O)NCC2C[N@@H+]3CCCC3CO2)CCCC1	REAL300013786996	0	50	0.0	-62.45	367.43	5.58	-56.87
O=C([O-])C1(CNC(=O)NCC2C[N@H+]3CCCC3CO2)CCCC1	REAL300013786996	1	50	0.0	-62.36	365.25	5.60	-56.76
CC1CN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CCC1C(=O)[O-]	REAL300013786997	0	50	0.0	-69.45	365.08	6.43	-63.02
CC1CN(C(=O)NCC2C[N@H+]3CCCC3CO2)CCC1C(=O)[O-]	REAL300013786997	1	50	0.0	-71.50	362.79	6.45	-65.05
O=C([O-])C1(CNC(=O)NCC2C[N@@H+]3CCCC3CO2)CCC1	REAL300013786998	0	47	0.0	-63.20	355.62	4.86	-58.34
O=C([O-])C1(CNC(=O)NCC2C[N@H+]3CCCC3CO2)CCC1	REAL300013786998	1	47	0.0	-65.04	355.56	4.89	-60.15
O=C([O-])CC(CNC(=O)NCC1C[N@@H+]2CCCC2CO1)C1CC1	REAL300013786999	0	50	0.0	-67.51	379.19	5.54	-61.97
O=C([O-])CC(CNC(=O)NCC1C[N@H+]2CCCC2CO1)C1CC1	REAL300013786999	1	50	0.0	-73.46	381.05	5.60	-67.86
CC1(C(=O)[O-])CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CC1	REAL300013787000	0	50	0.0	-69.81	355.91	6.23	-63.58
CC1(C(=O)[O-])CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)CC1	REAL300013787000	1	50	0.0	-71.70	356.51	6.19	-65.51
CC(C)C[C@H](CNC(=O)NCC1C[N@@H+]2CCCC2CO1)CC(=O)[O-]	REAL300013787001	0	55	0.0	-71.88	401.26	5.86	-66.02
CC(C)C[C@H](CNC(=O)NCC1C[N@H+]2CCCC2CO1)CC(=O)[O-]	REAL300013787001	1	55	0.0	-67.39	395.81	5.83	-61.56
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300013787002	0	47	0.0	-69.58	366.52	5.73	-63.85
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300013787002	1	47	0.0	-72.52	366.41	5.74	-66.78
COCC1(C(=O)[O-])CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013787003	0	51	0.0	-77.97	386.86	4.69	-73.28
COCC1(C(=O)[O-])CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013787003	1	51	0.0	-70.72	379.66	5.27	-65.45
O=C([O-])CN1CCC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)CC1	REAL300013787004	0	52	0.0	-74.49	388.19	3.11	-71.38
O=C([O-])CN1CCC(NC(=O)NCC2C[N@H+]3CCCC3CO2)CC1	REAL300013787004	1	52	0.0	-70.02	382.82	3.05	-66.97
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3C[N@@H+]4CCCC4CO3)C2)C=N1	REAL300013787005	0	57	0.0	-71.51	427.04	7.36	-64.15
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3C[N@H+]4CCCC4CO3)C2)C=N1	REAL300013787005	1	57	0.0	-80.95	432.17	7.34	-73.61
O=C([O-])[C@@H]1CCCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013787006	0	47	0.0	-60.20	342.75	6.00	-54.20
O=C([O-])[C@@H]1CCCN(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013787006	1	47	0.0	-77.12	349.59	6.06	-71.06
O=C([O-])[C@H]1CCCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013787007	0	47	0.0	-60.75	343.34	5.98	-54.77
O=C([O-])[C@H]1CCCN(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013787007	1	47	0.0	-61.82	349.88	6.10	-55.72
O=C([O-])C1=CC(CNC(=O)NCC2C[N@@H+]3CCCC3CO2)=CC=C1	REAL300013787008	0	47	0.0	-77.13	372.91	5.62	-71.51
O=C([O-])C1=CC(CNC(=O)NCC2C[N@H+]3CCCC3CO2)=CC=C1	REAL300013787008	1	47	0.0	-73.65	367.08	5.50	-68.15
COC(=O)C1CC2(C1)CN(C(=O)NCC1C[N@@H+]3CCCC3CO1)CC2C(=O)[O-]	REAL300013787009	0	57	0.0	-66.15	423.68	7.40	-58.75
COC(=O)C1CC2(C1)CN(C(=O)NCC1C[N@H+]3CCCC3CO1)CC2C(=O)[O-]	REAL300013787009	1	57	0.0	-63.86	422.40	7.26	-56.60
O=C([O-])CCC1CCCCN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300013787010	0	53	0.0	-79.31	383.53	7.39	-71.92
O=C([O-])CCC1CCCCN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300013787010	1	53	0.0	-72.51	377.52	7.26	-65.25
O=C([O-])CCCCCCCNC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300013787011	0	55	0.0	-72.85	414.83	6.64	-66.21
O=C([O-])CCCCCCCNC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300013787011	1	55	0.0	-75.85	421.03	6.66	-69.19
O=C([O-])CCCCCCNC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300013787012	0	52	0.0	-73.23	393.33	5.86	-67.37
O=C([O-])CCCCCCNC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300013787012	1	52	0.0	-76.55	399.54	5.88	-70.67
CC1(C(=O)[O-])CCCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013787013	0	50	0.0	-73.56	358.22	6.72	-66.84
CC1(C(=O)[O-])CCCN(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013787013	1	50	0.0	-73.45	359.14	6.66	-66.79
COCC1(C(=O)[O-])CCCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013787014	0	54	0.0	-81.90	396.62	5.88	-76.02
COCC1(C(=O)[O-])CCCN(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013787014	1	54	0.0	-77.83	391.03	5.79	-72.04
COCCN(CCC(=O)[O-])C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300013787015	0	50	0.0	-59.32	380.14	5.48	-53.84
COCCN(CCC(=O)[O-])C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300013787015	1	50	0.0	-61.40	384.35	5.29	-56.11
O=C([O-])CCC1CCCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013787016	0	53	0.0	-72.56	383.52	7.43	-65.13
O=C([O-])CCC1CCCN(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013787016	1	53	0.0	-73.21	384.06	7.31	-65.90
O=C([O-])C1CN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CC2=CC=CC=C21	REAL300013787017	0	51	0.0	-81.42	382.28	8.74	-72.68
O=C([O-])C1CN(C(=O)NCC2C[N@H+]3CCCC3CO2)CC2=CC=CC=C21	REAL300013787017	1	51	0.0	-72.81	376.25	8.67	-64.14
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CCO1	REAL300013787018	0	58	0.0	-71.12	433.29	5.60	-65.52
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2C[N@H+]3CCCC3CO2)CCO1	REAL300013787018	1	58	0.0	-67.02	433.27	5.61	-61.41
O=C([O-])C(=O)N1CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CC1	REAL300013787019	0	48	0.0	-68.31	355.77	4.78	-63.53
O=C([O-])C(=O)N1CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)CC1	REAL300013787019	1	48	0.0	-67.77	355.79	4.57	-63.20
CC1CCC(C(=O)[O-])CN1C(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300013787020	0	50	0.0	-60.20	358.64	6.57	-53.63
CC1CCC(C(=O)[O-])CN1C(=O)NCC1C[N@H+]2CCCC2CO1	REAL300013787020	1	50	0.0	-60.15	358.37	6.49	-53.66
O=C([O-])[C@@H]1CN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C[C@H]1C1=CC=CC=C1	REAL300013787021	0	54	0.0	-64.99	405.88	8.63	-56.36
O=C([O-])[C@@H]1CN(C(=O)NCC2C[N@H+]3CCCC3CO2)C[C@H]1C1=CC=CC=C1	REAL300013787021	1	54	0.0	-67.47	410.35	8.60	-58.87
O=C([O-])C1(O)CCCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013787022	0	48	0.0	-74.88	359.28	3.55	-71.33
O=C([O-])C1(O)CCCN(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013787022	1	48	0.0	-71.24	353.38	3.46	-67.78
O=C([O-])C1CC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C2=CC=CC=C21	REAL300013787023	0	51	0.0	-69.85	384.50	6.68	-63.17
O=C([O-])C1CC(NC(=O)NCC2C[N@H+]3CCCC3CO2)C2=CC=CC=C21	REAL300013787023	1	51	0.0	-70.83	386.67	6.64	-64.19
O=C([O-])CN1CCCCC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C1=O	REAL300013787024	0	54	0.0	-80.81	404.02	4.91	-75.90
O=C([O-])CN1CCCCC(NC(=O)NCC2C[N@H+]3CCCC3CO2)C1=O	REAL300013787024	1	54	0.0	-77.88	395.41	5.73	-72.15
COCC1(C(=O)[O-])CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CC1	REAL300013787025	0	54	0.0	-75.19	394.36	6.06	-69.13
COCC1(C(=O)[O-])CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)CC1	REAL300013787025	1	54	0.0	-73.63	388.37	5.96	-67.67
O=C([O-])C12CC(NC(=O)NCC3C[N@@H+]4CCCC4CO3)(C1)C2	REAL300013787026	0	45	0.0	-76.93	350.48	4.30	-72.63
O=C([O-])C12CC(NC(=O)NCC3C[N@H+]4CCCC4CO3)(C1)C2	REAL300013787026	1	45	0.0	-72.89	344.40	4.21	-68.68
O=C([O-])CC1(CNC(=O)NCC2C[N@@H+]3CCCC3CO2)CCCCC1	REAL300013787027	0	56	0.0	-65.85	390.15	6.28	-59.57
O=C([O-])CC1(CNC(=O)NCC2C[N@H+]3CCCC3CO2)CCCCC1	REAL300013787027	1	56	0.0	-65.85	390.58	6.17	-59.68
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2C[N@@H+]3CCCC3CO2)CC1	REAL300013787028	0	50	0.0	-66.50	364.69	5.75	-60.75
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2C[N@H+]3CCCC3CO2)CC1	REAL300013787028	1	50	0.0	-67.89	370.91	5.77	-62.12
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2C[N@@H+]3CCCC3CO2)CC1	REAL300013787029	0	53	0.0	-75.17	394.04	5.98	-69.19
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2C[N@H+]3CCCC3CO2)CC1	REAL300013787029	1	53	0.0	-75.85	395.05	6.07	-69.78
O=C([O-])CC1CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CC1	REAL300013787030	0	50	0.0	-74.69	367.40	6.64	-68.05
O=C([O-])CC1CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)CC1	REAL300013787030	1	50	0.0	-71.09	361.31	6.54	-64.55
O=C([O-])COC1CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CC1	REAL300013787031	0	51	0.0	-74.51	384.09	6.04	-68.47
O=C([O-])COC1CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)CC1	REAL300013787031	1	51	0.0	-72.37	377.91	5.96	-66.41
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013787032	0	50	0.0	-68.36	368.53	5.33	-63.03
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013787032	1	50	0.0	-72.26	375.31	5.36	-66.90
O=C([O-])C1CCCC(NC(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013787033	0	50	0.0	-71.32	375.01	5.30	-66.02
O=C([O-])C1CCCC(NC(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013787033	1	50	0.0	-70.94	374.11	5.31	-65.63
O=C([O-])C1(CNC(=O)NCC2C[N@@H+]3CCCC3CO2)CCCOC1	REAL300013787034	0	51	0.0	-65.63	378.95	3.62	-62.01
O=C([O-])C1(CNC(=O)NCC2C[N@H+]3CCCC3CO2)CCCOC1	REAL300013787034	1	51	0.0	-61.25	371.65	3.76	-57.49
O=C([O-])C1(CNC(=O)NCC2C[N@@H+]3CCCC3CO2)CCOC1	REAL300013787035	0	48	0.0	-64.22	362.27	2.83	-61.39
O=C([O-])C1(CNC(=O)NCC2C[N@H+]3CCCC3CO2)CCOC1	REAL300013787035	1	48	0.0	-62.64	356.46	2.74	-59.90
CC(C)(CC1=CC=C(CNC(=O)NCC2C[N@@H+]3CCCC3CO2)C=C1)C(=O)[O-]	REAL300013787036	0	59	0.0	-75.71	448.12	7.99	-67.72
CC(C)(CC1=CC=C(CNC(=O)NCC2C[N@H+]3CCCC3CO2)C=C1)C(=O)[O-]	REAL300013787036	1	59	0.0	-73.41	442.30	7.88	-65.53
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1C[N@@H+]3CCCC3CO1)C2	REAL300013787037	0	45	0.0	-68.91	345.49	4.81	-64.10
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1C[N@H+]3CCCC3CO1)C2	REAL300013787037	1	45	0.0	-69.56	345.95	4.72	-64.84
O=C([O-])C1CN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CC12CCC2	REAL300013787038	0	51	0.0	-63.90	370.97	6.80	-57.10
O=C([O-])C1CN(C(=O)NCC2C[N@H+]3CCCC3CO2)CC12CCC2	REAL300013787038	1	51	0.0	-65.12	372.53	6.71	-58.41
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013787039	0	47	0.0	-66.60	368.91	5.82	-60.78
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013787039	1	47	0.0	-64.57	363.75	5.74	-58.83
CC1(C(=O)[O-])CN(C(=O)NCC2C[N@@H+]3CCCC3CO2)CCO1	REAL300013787040	0	48	0.0	-73.97	351.10	5.26	-68.71
CC1(C(=O)[O-])CN(C(=O)NCC2C[N@H+]3CCCC3CO2)CCO1	REAL300013787040	1	48	0.0	-74.47	351.58	5.14	-69.33
COC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013787041	0	51	0.0	-64.91	381.40	5.13	-59.78
COC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013787041	1	51	0.0	-61.99	382.20	5.05	-56.94
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1C[N@@H+]3CCCC3CO1)C2	REAL300013787042	0	45	0.0	-73.17	344.59	4.85	-68.32
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1C[N@H+]3CCCC3CO1)C2	REAL300013787042	1	45	0.0	-76.52	350.79	4.87	-71.65
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[N@H+](C)C1CC1	REAL300013787043	0	45	0.0	-73.73	354.10	6.82	-66.91
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[N@@H+](C)C1CC1	REAL300013787043	1	45	0.0	-72.51	354.19	6.82	-65.69
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@H+](C)C1CC1	REAL300013787044	0	45	0.0	-72.70	359.09	6.80	-65.90
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@@H+](C)C1CC1	REAL300013787044	1	45	0.0	-73.13	354.20	6.81	-66.32
CC(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)[N@H+](C)C1CC1	REAL300013787045	0	55	0.0	-71.49	403.97	10.36	-61.13
CC(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)[N@@H+](C)C1CC1	REAL300013787045	1	55	0.0	-73.94	402.75	10.29	-63.65
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+](C)C1CC1	REAL300013787046	0	49	0.0	-59.67	357.06	4.92	-54.75
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+](C)C1CC1	REAL300013787046	1	49	0.0	-59.60	357.75	4.92	-54.68
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@H+](C)C1CC1	REAL300013787047	0	54	0.0	-73.83	393.29	7.30	-66.53
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+](C)C1CC1	REAL300013787047	1	54	0.0	-75.47	385.97	7.81	-67.66
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)C1CC1	REAL300013787048	0	51	0.0	-58.96	385.22	8.04	-50.92
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)C1CC1	REAL300013787048	1	51	0.0	-56.58	385.31	8.03	-48.55
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[N@H+](C)C1CC1	REAL300013787049	0	51	0.0	-72.25	365.44	8.74	-63.51
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[N@@H+](C)C1CC1	REAL300013787049	1	51	0.0	-72.44	364.23	9.04	-63.40
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[N@H+](C)C1CC1	REAL300013787050	0	47	0.0	-71.37	352.84	5.32	-66.05
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[N@@H+](C)C1CC1	REAL300013787050	1	47	0.0	-68.66	349.18	5.40	-63.26
CC(C)C[C@H](CNC(=O)NCC(C)[N@H+](C)C1CC1)CC(=O)[O-]	REAL300013787051	0	53	0.0	-66.48	386.83	7.07	-59.41
CC(C)C[C@H](CNC(=O)NCC(C)[N@@H+](C)C1CC1)CC(=O)[O-]	REAL300013787051	1	53	0.0	-67.49	388.33	7.30	-60.19
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@H+](C)C1CC1	REAL300013787052	0	45	0.0	-65.11	348.36	6.97	-58.14
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@@H+](C)C1CC1	REAL300013787052	1	45	0.0	-61.32	344.01	7.41	-53.91
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)[N@H+](C)C2CC2)C1	REAL300013787053	0	49	0.0	-71.48	368.69	5.93	-65.55
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)[N@@H+](C)C2CC2)C1	REAL300013787053	1	49	0.0	-73.35	363.00	6.35	-67.00
CC(CNC(=O)NC1CCN(CC(=O)[O-])CC1)[N@H+](C)C1CC1	REAL300013787054	0	50	0.0	-70.68	369.76	4.33	-66.35
CC(CNC(=O)NC1CCN(CC(=O)[O-])CC1)[N@@H+](C)C1CC1	REAL300013787054	1	50	0.0	-69.12	370.04	4.34	-64.78
CC(CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)[N@H+](C)C1CC1	REAL300013787055	0	55	0.0	-59.29	407.32	8.88	-50.41
CC(CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)[N@@H+](C)C1CC1	REAL300013787055	1	55	0.0	-56.30	414.76	8.54	-47.76
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@H+](C)C1CC1	REAL300013787056	0	45	0.0	-72.70	359.09	6.80	-65.90
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@@H+](C)C1CC1	REAL300013787056	1	45	0.0	-73.13	354.20	6.81	-66.32
COC(=O)C1CC2(C1)CN(C(=O)NCC(C)[N@H+](C)C1CC1)CC2C(=O)[O-]	REAL300013787057	0	55	0.0	-63.87	417.22	9.04	-54.83
COC(=O)C1CC2(C1)CN(C(=O)NCC(C)[N@@H+](C)C1CC1)CC2C(=O)[O-]	REAL300013787057	1	55	0.0	-62.99	415.09	8.70	-54.29
CC(CNC(=O)N1CCCCC1CCC(=O)[O-])[N@H+](C)C1CC1	REAL300013787058	0	51	0.0	-76.39	366.76	8.96	-67.43
CC(CNC(=O)N1CCCCC1CCC(=O)[O-])[N@@H+](C)C1CC1	REAL300013787058	1	51	0.0	-75.93	366.13	8.66	-67.27
CC(CNC(=O)NCCCCCCCC(=O)[O-])[N@H+](C)C1CC1	REAL300013787059	0	53	0.0	-74.12	402.34	7.84	-66.28
CC(CNC(=O)NCCCCCCCC(=O)[O-])[N@@H+](C)C1CC1	REAL300013787059	1	53	0.0	-72.68	402.43	7.84	-64.84
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)[N@H+](C)C2CC2)C1	REAL300013787060	0	52	0.0	-54.89	377.91	7.80	-47.09
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)[N@@H+](C)C2CC2)C1	REAL300013787060	1	52	0.0	-80.55	380.46	7.46	-73.09
COCCN(CCC(=O)[O-])C(=O)NCC(C)[N@H+](C)C1CC1	REAL300013787061	0	48	0.0	-50.76	365.66	6.46	-44.30
COCCN(CCC(=O)[O-])C(=O)NCC(C)[N@@H+](C)C1CC1	REAL300013787061	1	48	0.0	-51.06	365.49	6.49	-44.57
CC(CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)[N@H+](C)C1CC1	REAL300013787062	0	54	0.0	-78.35	404.16	8.66	-69.69
CC(CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)[N@@H+](C)C1CC1	REAL300013787062	1	54	0.0	-76.97	399.45	9.15	-67.82
CC(CNC(=O)N1CCCC(CCC(=O)[O-])C1)[N@H+](C)C1CC1	REAL300013787063	0	51	0.0	-75.44	373.72	9.01	-66.43
CC(CNC(=O)N1CCCC(CCC(=O)[O-])C1)[N@@H+](C)C1CC1	REAL300013787063	1	51	0.0	-74.68	372.48	8.71	-65.97
CC(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)[N@H+](C)C1CC1	REAL300013787064	0	49	0.0	-72.85	364.76	9.79	-63.06
CC(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)[N@@H+](C)C1CC1	REAL300013787064	1	49	0.0	-72.96	369.42	9.71	-63.25
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC(C)[N@H+](C)C2CC2)CCO1	REAL300013787065	0	56	0.0	-64.35	423.16	7.17	-57.18
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC(C)[N@@H+](C)C2CC2)CCO1	REAL300013787065	1	56	0.0	-66.25	424.43	7.69	-58.56
CC(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[N@H+](C)C1CC1	REAL300013787066	0	46	0.0	-64.93	343.69	5.94	-58.99
CC(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[N@@H+](C)C1CC1	REAL300013787066	1	46	0.0	-64.19	345.85	6.31	-57.88
CC(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)[N@H+](C)C1CC1	REAL300013787067	0	52	0.0	-61.03	394.62	9.85	-51.18
CC(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)[N@@H+](C)C1CC1	REAL300013787067	1	52	0.0	-58.33	388.29	10.16	-48.17
CC(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)[N@H+](C)C1CC1	REAL300013787068	0	49	0.0	-69.30	375.13	8.01	-61.29
CC(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)[N@@H+](C)C1CC1	REAL300013787068	1	49	0.0	-67.66	376.04	8.02	-59.64
CC(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)[N@H+](C)C1CC1	REAL300013787069	0	52	0.0	-80.49	386.95	7.01	-73.48
CC(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)[N@@H+](C)C1CC1	REAL300013787069	1	52	0.0	-83.54	383.75	7.09	-76.45
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)[N@H+](C)C2CC2)CC1	REAL300013787070	0	52	0.0	-73.79	378.14	6.98	-66.81
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)[N@@H+](C)C2CC2)CC1	REAL300013787070	1	52	0.0	-72.22	369.65	7.01	-65.21
CC(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)[N@H+](C)C1CC1	REAL300013787071	0	54	0.0	-62.37	378.07	7.56	-54.81
CC(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)[N@@H+](C)C1CC1	REAL300013787071	1	54	0.0	-63.64	373.80	8.00	-55.64
CC(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[N@H+](C)C1CC1	REAL300013787072	0	51	0.0	-73.93	376.90	7.21	-66.72
CC(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[N@@H+](C)C1CC1	REAL300013787072	1	51	0.0	-72.15	377.75	7.28	-64.87
CC(CNC(=O)N1CCC(OCC(=O)[O-])CC1)[N@H+](C)C1CC1	REAL300013787073	0	49	0.0	-69.64	358.89	7.65	-61.99
CC(CNC(=O)N1CCC(OCC(=O)[O-])CC1)[N@@H+](C)C1CC1	REAL300013787073	1	49	0.0	-72.45	358.49	7.65	-64.80
CC(CNC(=O)NCC1(C(=O)[O-])CCCOC1)[N@H+](C)C1CC1	REAL300013787074	0	49	0.0	-60.25	361.95	5.35	-54.90
CC(CNC(=O)NCC1(C(=O)[O-])CCCOC1)[N@@H+](C)C1CC1	REAL300013787074	1	49	0.0	-63.39	357.95	5.87	-57.52
CC(CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)[N@H+](C)C1CC1	REAL300013787075	0	57	0.0	-73.78	428.74	9.20	-64.58
CC(CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)[N@@H+](C)C1CC1	REAL300013787075	1	57	0.0	-72.63	428.83	9.19	-63.44
CC(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)[N@H+](C)C1CC1	REAL300013787076	0	49	0.0	-58.64	361.15	8.35	-50.29
CC(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)[N@@H+](C)C1CC1	REAL300013787076	1	49	0.0	-62.92	365.06	8.04	-54.88
CC(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[N@H+](C)C1CC1	REAL300013787077	0	45	0.0	-62.00	346.14	7.47	-54.53
CC(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[N@@H+](C)C1CC1	REAL300013787077	1	45	0.0	-64.73	355.94	7.07	-57.66
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)[N@H+](C)C2CC2)C1	REAL300013787078	0	49	0.0	-75.24	354.36	6.79	-68.45
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)[N@@H+](C)C2CC2)C1	REAL300013787078	1	49	0.0	-57.00	355.98	6.68	-50.32
CC(CNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)[N@H+](C)C1CC1	REAL300013787079	0	54	0.0	-77.39	410.06	5.84	-71.55
CC(CNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)[N@@H+](C)C1CC1	REAL300013787079	1	54	0.0	-82.51	403.44	6.15	-76.36
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013787080	0	51	0.0	-68.56	361.45	8.38	-60.18
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013787080	1	51	0.0	-67.82	359.93	8.32	-59.50
CC(C)[N@@H+]1CCCC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013787081	0	51	0.0	-74.42	390.89	7.97	-66.45
CC(C)[N@H+]1CCCC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013787081	1	51	0.0	-74.35	390.91	7.99	-66.36
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013787082	0	49	0.0	-76.10	359.85	6.78	-69.32
CC(C)[N@H+]1CCCC(CNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013787082	1	49	0.0	-73.14	353.12	6.78	-66.36
CC(C)[N@@H+]1CCCC(CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013787083	0	54	0.0	-75.54	393.54	7.67	-67.87
CC(C)[N@H+]1CCCC(CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013787083	1	54	0.0	-75.59	393.55	7.66	-67.93
CC(C)[N@@H+]1CCCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013787084	0	51	0.0	-74.51	390.93	7.96	-66.55
CC(C)[N@H+]1CCCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013787084	1	51	0.0	-74.08	390.91	7.96	-66.12
CC(C)[N@@H+]1CCCC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013787085	0	53	0.0	-69.94	389.27	7.39	-62.55
CC(C)[N@H+]1CCCC(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013787085	1	53	0.0	-69.95	389.28	7.40	-62.55
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C1	REAL300013787086	0	61	0.0	-69.52	432.59	11.44	-58.08
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C1	REAL300013787086	1	61	0.0	-77.16	444.95	11.85	-65.31
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013787087	0	51	0.0	-69.06	364.71	8.00	-61.06
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013787087	1	51	0.0	-71.46	364.57	7.86	-63.60
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300013787088	0	54	0.0	-59.21	383.94	9.17	-50.04
CC(C)[N@H+]1CCCC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300013787088	1	54	0.0	-59.59	384.46	9.20	-50.39
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013787089	0	54	0.0	-71.08	380.40	8.62	-62.46
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013787089	1	54	0.0	-70.59	380.24	8.58	-62.01
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013787090	0	54	0.0	-77.69	379.90	8.63	-69.06
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013787090	1	54	0.0	-60.37	379.92	8.62	-51.75
CC(C)[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013787091	0	55	0.0	-62.66	395.59	5.83	-56.83
CC(C)[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013787091	1	55	0.0	-62.03	386.37	5.99	-56.04
CC(C)[N@@H+]1CCCC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013787092	0	53	0.0	-67.25	379.55	6.72	-60.53
CC(C)[N@H+]1CCCC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013787092	1	53	0.0	-67.33	378.99	6.70	-60.63
CCC(CC)(CNC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300013787093	0	56	0.0	-62.68	396.55	7.87	-54.81
CCC(CC)(CNC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300013787093	1	56	0.0	-59.36	387.17	7.68	-51.68
CC(C)C(CNC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300013787094	0	53	0.0	-62.43	382.65	7.15	-55.28
CC(C)C(CNC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300013787094	1	53	0.0	-61.02	375.81	7.12	-53.90
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013787095	0	60	0.0	-72.29	422.78	8.56	-63.73
CC(C)[N@H+]1CCCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013787095	1	60	0.0	-74.22	426.65	8.52	-65.70
CC(C)[N@@H+]1CCCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013787096	0	57	0.0	-61.61	411.24	9.35	-52.26
CC(C)[N@H+]1CCCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013787096	1	57	0.0	-64.91	422.02	9.18	-55.73
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013787097	0	51	0.0	-66.59	368.04	7.12	-59.47
CC(C)[N@H+]1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013787097	1	51	0.0	-69.41	375.22	7.09	-62.32
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013787098	0	57	0.0	-69.42	400.69	9.74	-59.68
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013787098	1	57	0.0	-71.14	407.58	9.76	-61.38
CC(C)[N@@H+]1CCCC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013787099	0	53	0.0	-70.38	384.50	6.63	-63.75
CC(C)[N@H+]1CCCC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013787099	1	53	0.0	-67.99	377.53	6.57	-61.42
CC(C)[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013787100	0	54	0.0	-63.14	389.54	7.97	-55.17
CC(C)[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013787100	1	54	0.0	-62.15	384.80	7.88	-54.27
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013787101	0	54	0.0	-70.13	380.04	9.17	-60.96
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013787101	1	54	0.0	-71.09	383.13	8.79	-62.30
CC(C)[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013787102	0	51	0.0	-61.60	373.61	7.21	-54.39
CC(C)[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013787102	1	51	0.0	-60.30	366.74	7.18	-53.12
CC(C)[N@@H+]1CCCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013787103	0	54	0.0	-72.76	399.14	7.93	-64.83
CC(C)[N@H+]1CCCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013787103	1	54	0.0	-65.91	397.18	7.90	-58.01
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013787104	0	54	0.0	-71.08	380.40	8.62	-62.46
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013787104	1	54	0.0	-70.59	380.24	8.58	-62.01
CC(C)C[C@H](CNC(=O)NCC1CCC[N@@H+](C(C)C)C1)CC(=O)[O-]	REAL300013787105	0	59	0.0	-70.27	419.72	8.28	-61.99
CC(C)C[C@H](CNC(=O)NCC1CCC[N@H+](C(C)C)C1)CC(=O)[O-]	REAL300013787105	1	59	0.0	-68.54	419.26	8.21	-60.33
CC(C)[N@@H+]1CCCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013787106	0	51	0.0	-68.52	384.54	8.08	-60.44
CC(C)[N@H+]1CCCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013787106	1	51	0.0	-69.63	384.53	8.07	-61.56
COCC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@@H+](C(C)C)C2)C1	REAL300013787107	0	55	0.0	-70.36	396.67	7.69	-62.67
COCC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@H+](C(C)C)C2)C1	REAL300013787107	1	55	0.0	-74.60	399.46	7.04	-67.56
CC(C)[N@@H+]1CCCC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013787108	0	56	0.0	-70.94	406.63	5.51	-65.43
CC(C)[N@H+]1CCCC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013787108	1	56	0.0	-73.35	406.20	5.47	-67.88
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)C1	REAL300013787109	0	61	0.0	-63.71	450.40	9.61	-54.10
CC(C)[N@H+]1CCCC(CNC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)C1	REAL300013787109	1	61	0.0	-71.36	438.99	9.68	-61.68
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013787110	0	51	0.0	-59.06	367.15	8.34	-50.72
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013787110	1	51	0.0	-58.59	360.24	8.31	-50.28
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013787111	0	51	0.0	-75.93	367.64	8.34	-67.59
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013787111	1	51	0.0	-59.73	368.28	8.37	-51.36
CC(C)[N@@H+]1CCCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013787112	0	51	0.0	-74.51	390.93	7.96	-66.55
CC(C)[N@H+]1CCCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013787112	1	51	0.0	-74.08	390.91	7.96	-66.12
COC(=O)C1CC2(C1)CN(C(=O)NCC1CCC[N@@H+](C(C)C)C1)CC2C(=O)[O-]	REAL300013787113	0	61	0.0	-68.21	451.36	9.82	-58.39
COC(=O)C1CC2(C1)CN(C(=O)NCC1CCC[N@H+](C(C)C)C1)CC2C(=O)[O-]	REAL300013787113	1	61	0.0	-70.34	444.34	9.82	-60.52
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013787114	0	57	0.0	-77.83	401.41	9.73	-68.10
CC(C)[N@H+]1CCCC(CNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013787114	1	57	0.0	-77.67	401.44	9.74	-67.93
CC(C)[N@@H+]1CCCC(CNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013787115	0	59	0.0	-71.78	432.26	8.96	-62.82
CC(C)[N@H+]1CCCC(CNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013787115	1	59	0.0	-71.73	432.28	8.96	-62.77
CC(C)[N@@H+]1CCCC(CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013787116	0	56	0.0	-72.27	410.76	8.18	-64.09
CC(C)[N@H+]1CCCC(CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013787116	1	56	0.0	-72.31	410.78	8.18	-64.13
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013787117	0	54	0.0	-77.04	382.86	9.06	-67.98
CC(C)[N@H+]1CCCC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013787117	1	54	0.0	-76.77	382.63	9.05	-67.72
COCC1(C(=O)[O-])CCCN(C(=O)NCC2CCC[N@@H+](C(C)C)C2)C1	REAL300013787118	0	58	0.0	-76.90	406.79	8.80	-68.10
COCC1(C(=O)[O-])CCCN(C(=O)NCC2CCC[N@H+](C(C)C)C2)C1	REAL300013787118	1	58	0.0	-77.92	407.76	8.22	-69.70
COCCN(CCC(=O)[O-])C(=O)NCC1CCC[N@@H+](C(C)C)C1	REAL300013787119	0	54	0.0	-58.29	402.45	7.60	-50.69
COCCN(CCC(=O)[O-])C(=O)NCC1CCC[N@H+](C(C)C)C1	REAL300013787119	1	54	0.0	-58.85	402.46	7.61	-51.24
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013787120	0	57	0.0	-76.10	407.98	9.76	-66.34
CC(C)[N@H+]1CCCC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013787120	1	57	0.0	-72.55	401.03	9.74	-62.81
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013787121	0	55	0.0	-78.76	400.23	11.09	-67.67
CC(C)[N@H+]1CCCC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013787121	1	55	0.0	-77.37	400.30	11.08	-66.29
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2CCC[N@@H+](C(C)C)C2)CCO1	REAL300013787122	0	62	0.0	-73.69	457.19	8.05	-65.64
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2CCC[N@H+](C(C)C)C2)CCO1	REAL300013787122	1	62	0.0	-73.94	457.83	7.92	-66.02
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013787123	0	52	0.0	-66.36	380.16	7.10	-59.26
CC(C)[N@H+]1CCCC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013787123	1	52	0.0	-65.23	379.72	7.01	-58.22
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013787124	0	54	0.0	-58.53	382.25	8.95	-49.58
CC(C)[N@H+]1CCCC(CNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013787124	1	54	0.0	-57.86	374.74	8.89	-48.97
CC(C)[N@@H+]1CCCC(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013787125	0	58	0.0	-63.61	423.43	10.92	-52.69
CC(C)[N@H+]1CCCC(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013787125	1	58	0.0	-63.64	423.29	10.84	-52.80
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013787126	0	52	0.0	-70.43	370.31	5.86	-64.57
CC(C)[N@H+]1CCCC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013787126	1	52	0.0	-73.63	377.23	5.91	-67.72
CC(C)[N@@H+]1CCCC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013787127	0	55	0.0	-70.74	411.64	9.12	-61.62
CC(C)[N@H+]1CCCC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013787127	1	55	0.0	-70.97	410.54	9.09	-61.88
CC(C)[N@@H+]1CCCC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013787128	0	58	0.0	-84.14	419.20	8.20	-75.94
CC(C)[N@H+]1CCCC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013787128	1	58	0.0	-82.21	419.25	8.19	-74.02
COCC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@@H+](C(C)C)C2)CC1	REAL300013787129	0	58	0.0	-74.39	411.27	8.51	-65.88
COCC1(C(=O)[O-])CCN(C(=O)NCC2CCC[N@H+](C(C)C)C2)CC1	REAL300013787129	1	58	0.0	-74.84	411.25	8.52	-66.32
CC(C)[N@@H+]1CCCC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013787130	0	49	0.0	-72.22	361.48	6.63	-65.59
CC(C)[N@H+]1CCCC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013787130	1	49	0.0	-72.22	361.45	6.63	-65.59
CC(C)[N@@H+]1CCCC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013787131	0	60	0.0	-66.43	414.40	8.61	-57.82
CC(C)[N@H+]1CCCC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013787131	1	60	0.0	-68.37	414.56	8.62	-59.75
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013787132	0	54	0.0	-64.41	380.92	8.02	-56.39
CC(C)[N@H+]1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013787132	1	54	0.0	-64.68	382.23	8.06	-56.62
CC(C)[N@@H+]1CCCC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013787133	0	57	0.0	-72.17	406.42	8.35	-63.82
CC(C)[N@H+]1CCCC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013787133	1	57	0.0	-72.13	406.39	8.35	-63.78
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013787134	0	54	0.0	-64.24	378.38	8.96	-55.28
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013787134	1	54	0.0	-65.53	385.27	8.99	-56.54
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013787135	0	55	0.0	-71.04	394.98	8.38	-62.66
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013787135	1	55	0.0	-71.49	395.00	8.40	-63.09
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013787136	0	54	0.0	-69.71	393.01	7.64	-62.07
CC(C)[N@H+]1CCCC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013787136	1	54	0.0	-70.19	393.53	7.66	-62.53
CC(C)[N@@H+]1CCCC(CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013787137	0	54	0.0	-67.13	387.78	8.05	-59.08
CC(C)[N@H+]1CCCC(CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013787137	1	54	0.0	-69.33	392.22	7.63	-61.70
CC(C)[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013787138	0	55	0.0	-61.73	395.47	6.22	-55.51
CC(C)[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013787138	1	55	0.0	-62.34	395.49	6.23	-56.11
CC(C)[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013787139	0	52	0.0	-63.26	380.27	5.19	-58.07
CC(C)[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013787139	1	52	0.0	-59.78	379.55	5.35	-54.43
CC(C)[N@@H+]1CCCC(CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C1	REAL300013787140	0	63	0.0	-73.66	466.16	10.36	-63.30
CC(C)[N@H+]1CCCC(CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C1	REAL300013787140	1	63	0.0	-73.74	465.55	10.36	-63.38
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013787141	0	49	0.0	-69.52	369.76	7.15	-62.37
CC(C)[N@H+]1CCCC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013787141	1	49	0.0	-68.17	362.91	7.13	-61.04
CC(C)[N@@H+]1CCCC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013787142	0	55	0.0	-64.72	396.41	9.18	-55.54
CC(C)[N@H+]1CCCC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013787142	1	55	0.0	-63.32	389.54	9.15	-54.17
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013787143	0	51	0.0	-63.24	380.77	8.16	-55.08
CC(C)[N@H+]1CCCC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013787143	1	51	0.0	-67.02	379.59	8.20	-58.82
CC(C)[N@@H+]1CCCC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013787144	0	52	0.0	-77.01	375.40	7.56	-69.45
CC(C)[N@H+]1CCCC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013787144	1	52	0.0	-77.04	375.42	7.57	-69.47
COC1CC(C(=O)[O-])CN(C(=O)NCC2CCC[N@@H+](C(C)C)C2)C1	REAL300013787145	0	55	0.0	-60.68	398.80	7.43	-53.25
COC1CC(C(=O)[O-])CN(C(=O)NCC2CCC[N@H+](C(C)C)C2)C1	REAL300013787145	1	55	0.0	-59.17	393.03	7.29	-51.88
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013787146	0	49	0.0	-75.17	369.37	7.16	-68.01
CC(C)[N@H+]1CCCC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013787146	1	49	0.0	-72.39	362.16	7.14	-65.25
CS(=O)(=O)NCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013787167	1	43	0.0	-46.10	351.38	-0.62	-46.72
O=C([O-])C1CCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CC1	REAL300013787203	0	56	0.0	-79.17	422.49	7.35	-71.82
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C=C1	REAL300013787204	0	56	0.0	-81.86	446.59	6.98	-74.88
O=C([O-])C1CN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCO1	REAL300013787205	0	54	0.0	-84.76	415.58	5.82	-78.94
O=C([O-])C1CCC(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CC1	REAL300013787206	0	59	0.0	-75.15	443.45	7.06	-68.09
O=C([O-])CCCCNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300013787207	0	55	0.0	-82.32	430.31	5.65	-76.67
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)=CC=C1	REAL300013787208	0	56	0.0	-82.69	446.58	6.97	-75.72
O=C([O-])CCNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300013787209	0	49	0.0	-80.11	387.32	4.08	-76.03
O=C([O-])CCCCCNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300013787210	0	58	0.0	-80.62	451.81	6.43	-74.19
CC(C)(CNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300013787211	0	55	0.0	-82.80	422.17	5.54	-77.26
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300013787212	0	56	0.0	-85.82	426.81	7.00	-78.82
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300013787213	0	59	0.0	-67.63	439.63	8.20	-59.43
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CC1	REAL300013787214	0	59	0.0	-80.52	435.94	7.61	-72.91
O=C([O-])CCCNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300013787215	0	52	0.0	-77.01	408.82	4.87	-72.14
CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CC1C(=O)[O-]	REAL300013787216	0	59	0.0	-84.90	438.72	7.80	-77.10
CC(C)(CCNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300013787217	0	58	0.0	-77.53	442.10	5.76	-71.77
CCC(CC)(CNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300013787218	0	61	0.0	-74.34	454.41	6.55	-67.79
CC(CNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300013787219	0	52	0.0	-80.99	404.99	4.82	-76.17
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300013787220	0	58	0.0	-73.48	438.35	6.16	-67.32
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300013787221	0	56	0.0	-74.91	430.25	6.13	-68.78
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCCC1	REAL300013787222	0	59	0.0	-74.38	447.27	6.92	-67.46
CC1CN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCC1C(=O)[O-]	REAL300013787223	0	59	0.0	-77.28	435.89	8.09	-69.19
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCC1	REAL300013787224	0	56	0.0	-72.62	429.29	6.22	-66.40
O=C([O-])CC(CNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1CC1	REAL300013787225	0	59	0.0	-82.65	454.32	6.85	-75.80
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CC1	REAL300013787226	0	59	0.0	-80.52	435.94	7.61	-72.91
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300013787227	0	56	0.0	-81.23	440.18	7.09	-74.14
O=C(NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013787228	0	53	0.0	-77.47	413.95	5.44	-72.03
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300013787229	0	56	0.0	-67.81	423.17	7.32	-60.49
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300013787230	0	56	0.0	-86.35	422.98	7.32	-79.03
O=C([O-])C1CC(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300013787231	0	53	0.0	-77.60	414.28	5.44	-72.16
O=C(NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013787232	0	53	0.0	-79.05	413.44	5.44	-73.61
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)=CC=C1	REAL300013787233	0	56	0.0	-82.69	446.58	6.97	-75.72
CCC(CNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300013787234	0	55	0.0	-74.61	427.82	5.54	-69.07
O=C([O-])CCCCCCNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300013787235	0	61	0.0	-83.64	473.31	7.21	-76.43
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300013787236	0	55	0.0	-83.70	426.44	7.28	-76.42
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300013787237	0	59	0.0	-86.12	438.16	8.13	-77.99
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300013787238	0	59	0.0	-66.69	458.13	6.63	-60.06
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300013787239	0	59	0.0	-68.14	438.73	7.92	-60.22
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300013787240	0	57	0.0	-82.68	432.93	4.94	-77.74
O=C([O-])C12CC(NC(=O)NCC3=CC=C(C[NH+]4CCC(O)CC4)C=C3)(C1)C2	REAL300013787241	0	54	0.0	-84.25	424.02	5.67	-78.58
O=C(NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013787242	0	59	0.0	-74.85	444.78	7.10	-67.75
O=C([O-])CC1CCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CC1	REAL300013787243	0	59	0.0	-73.89	441.01	8.05	-65.84
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300013787244	0	59	0.0	-78.33	448.70	6.66	-71.67
O=C([O-])C1CCCC(NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300013787245	0	59	0.0	-75.42	444.78	7.09	-68.33
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCOC1	REAL300013787246	0	57	0.0	-72.67	435.96	4.21	-68.46
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=C(C[NH+]3CCC(O)CC3)C=C1)C2	REAL300013787247	0	54	0.0	-78.30	425.48	6.16	-72.14
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CC1	REAL300013787248	0	53	0.0	-70.60	414.11	5.71	-64.89
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCO1	REAL300013787249	0	57	0.0	-85.42	431.18	6.61	-78.81
O=C([O-])C1CN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300013787250	0	50	0.0	-73.47	395.06	5.65	-67.82
O=C([O-])C1CCN(C(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300013787251	0	53	0.0	-80.74	409.94	6.45	-74.29
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=C(C[NH+]3CCC(O)CC3)C=C1)C2	REAL300013787252	0	54	0.0	-83.42	424.74	6.12	-77.30
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300013787253	0	55	0.0	-75.54	428.57	5.89	-69.65
COCCSC1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013787285	1	56	0.0	-40.92	445.96	8.06	-32.86
CC1=CC=CC=C1OCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013787351	1	52	0.0	-37.76	404.30	7.35	-30.41
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC(F)=CC=C2F)CC1	REAL300013787418	1	42	0.0	-36.54	345.12	6.36	-30.18
CC1=CC=CN=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013787462	1	44	0.0	-37.70	345.81	4.96	-32.74
CC1=CC=CC2=C1CCC2NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013787514	1	49	0.0	-37.40	376.14	8.15	-29.25
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(CO)=C2)CC1	REAL300013787574	1	46	0.0	-38.09	365.95	3.59	-34.50
C[N@H+](CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1CCCC1	REAL300013787609	0	48	0.0	-76.11	373.70	7.40	-68.71
C[N@@H+](CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1CCCC1	REAL300013787609	1	48	0.0	-76.13	373.69	7.42	-68.71
C[N@H+](CCNC(=O)NC1CCC(C(=O)[O-])CC1)C1CCCC1	REAL300013787610	0	51	0.0	-76.56	376.34	7.10	-69.46
C[N@@H+](CCNC(=O)NC1CCC(C(=O)[O-])CC1)C1CCCC1	REAL300013787610	1	51	0.0	-76.69	376.32	7.10	-69.59
C[N@H+](CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CCCC1	REAL300013787611	0	48	0.0	-74.90	373.71	7.39	-67.51
C[N@@H+](CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CCCC1	REAL300013787611	1	48	0.0	-75.39	373.69	7.41	-67.98
C[N@H+](CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C1CCCC1	REAL300013787612	0	58	0.0	-72.11	422.20	10.89	-61.22
C[N@@H+](CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C1CCCC1	REAL300013787612	1	58	0.0	-77.87	425.78	11.24	-66.63
CC1CC(C(=O)[O-])CN(C(=O)NCC[N@H+](C)C2CCCC2)C1	REAL300013787613	0	51	0.0	-58.32	371.42	8.38	-49.94
CC1CC(C(=O)[O-])CN(C(=O)NCC[N@@H+](C)C2CCCC2)C1	REAL300013787613	1	51	0.0	-58.06	371.45	8.36	-49.70
C[N@H+](CCNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1CCCC1	REAL300013787614	0	51	0.0	-73.37	363.09	8.04	-65.33
C[N@@H+](CCNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1CCCC1	REAL300013787614	1	51	0.0	-73.27	363.84	8.09	-65.18
CC1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1C(=O)[O-]	REAL300013787615	0	51	0.0	-59.91	369.45	8.32	-51.59
CC1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1C(=O)[O-]	REAL300013787615	1	51	0.0	-57.67	365.85	8.21	-49.46
C[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCCC1	REAL300013787616	0	52	0.0	-60.14	377.02	5.29	-54.85
C[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCCC1	REAL300013787616	1	52	0.0	-60.64	377.01	5.29	-55.35
CCC(CC)(CNC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300013787617	0	53	0.0	-62.53	381.51	7.00	-55.53
CCC(CC)(CNC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300013787617	1	53	0.0	-60.31	376.83	7.15	-53.16
CC(NC(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013787618	0	57	0.0	-76.62	411.97	8.35	-68.27
CC(NC(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013787618	1	57	0.0	-75.99	411.99	8.33	-67.66
C[N@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300013787619	0	54	0.0	-62.04	400.91	8.82	-53.22
C[N@@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300013787619	1	54	0.0	-61.59	400.89	8.84	-52.75
C[N@H+](CCNC(=O)N1CCC(CCC(=O)[O-])CC1)C1CCCC1	REAL300013787620	0	54	0.0	-73.18	390.46	9.24	-63.94
C[N@@H+](CCNC(=O)N1CCC(CCC(=O)[O-])CC1)C1CCCC1	REAL300013787620	1	54	0.0	-72.76	390.41	9.22	-63.54
C[N@H+](CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1CCCC1	REAL300013787621	0	50	0.0	-71.60	368.90	6.03	-65.57
C[N@@H+](CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1CCCC1	REAL300013787621	1	50	0.0	-71.65	368.36	6.04	-65.61
C[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)C1CCCC1	REAL300013787622	0	51	0.0	-61.76	374.40	7.36	-54.40
C[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)C1CCCC1	REAL300013787622	1	51	0.0	-62.37	374.38	7.35	-55.02
CC1CN(C(=O)NCC[N@H+](C)C2CCCC2)CCC1C(=O)[O-]	REAL300013787623	0	51	0.0	-71.32	363.09	8.51	-62.81
CC1CN(C(=O)NCC[N@@H+](C)C2CCCC2)CCC1C(=O)[O-]	REAL300013787623	1	51	0.0	-71.61	363.12	8.51	-63.10
C[N@H+](CCNC(=O)NCC(CC(=O)[O-])C1CC1)C1CCCC1	REAL300013787624	0	51	0.0	-71.91	381.45	7.29	-64.62
C[N@@H+](CCNC(=O)NCC(CC(=O)[O-])C1CC1)C1CCCC1	REAL300013787624	1	51	0.0	-71.59	381.43	7.29	-64.30
C[N@H+](CCNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1CCCC1	REAL300013787625	0	51	0.0	-73.37	363.09	8.04	-65.33
C[N@@H+](CCNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1CCCC1	REAL300013787625	1	51	0.0	-73.27	363.84	8.09	-65.18
CC(C)C[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)CC(=O)[O-]	REAL300013787626	0	56	0.0	-66.51	407.82	7.93	-58.58
CC(C)C[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)CC(=O)[O-]	REAL300013787626	1	56	0.0	-68.64	402.45	7.69	-60.95
C[N@H+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CCCC1	REAL300013787627	0	48	0.0	-66.04	367.31	7.53	-58.51
C[N@@H+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CCCC1	REAL300013787627	1	48	0.0	-67.08	367.30	7.52	-59.56
COCC1(C(=O)[O-])CCN(C(=O)NCC[N@H+](C)C2CCCC2)C1	REAL300013787628	0	52	0.0	-76.16	385.15	7.26	-68.90
COCC1(C(=O)[O-])CCN(C(=O)NCC[N@@H+](C)C2CCCC2)C1	REAL300013787628	1	52	0.0	-76.88	385.17	7.26	-69.62
C[N@H+](CCNC(=O)NC1CCN(CC(=O)[O-])CC1)C1CCCC1	REAL300013787629	0	53	0.0	-72.10	389.45	4.94	-67.16
C[N@@H+](CCNC(=O)NC1CCN(CC(=O)[O-])CC1)C1CCCC1	REAL300013787629	1	53	0.0	-72.23	389.43	4.95	-67.28
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC[N@H+](C)C3CCCC3)C2)C=N1	REAL300013787630	0	58	0.0	-71.30	427.93	9.25	-62.05
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC[N@@H+](C)C3CCCC3)C2)C=N1	REAL300013787630	1	58	0.0	-72.25	427.95	9.25	-63.00
C[N@H+](CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CCCC1	REAL300013787631	0	48	0.0	-74.90	373.71	7.39	-67.51
C[N@@H+](CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CCCC1	REAL300013787631	1	48	0.0	-75.39	373.69	7.41	-67.98
COC(=O)C1CC2(C1)CN(C(=O)NCC[N@H+](C)C1CCCC1)CC2C(=O)[O-]	REAL300013787632	0	58	0.0	-60.05	433.68	9.28	-50.77
COC(=O)C1CC2(C1)CN(C(=O)NCC[N@@H+](C)C1CCCC1)CC2C(=O)[O-]	REAL300013787632	1	58	0.0	-68.54	434.25	9.26	-59.28
C[N@H+](CCNC(=O)N1CCCCC1CCC(=O)[O-])C1CCCC1	REAL300013787633	0	54	0.0	-76.66	383.78	9.18	-67.48
C[N@@H+](CCNC(=O)N1CCCCC1CCC(=O)[O-])C1CCCC1	REAL300013787633	1	54	0.0	-76.23	383.68	9.16	-67.07
C[N@H+](CCNC(=O)NCCCCCCCC(=O)[O-])C1CCCC1	REAL300013787634	0	56	0.0	-75.42	421.94	8.42	-67.00
C[N@@H+](CCNC(=O)NCCCCCCCC(=O)[O-])C1CCCC1	REAL300013787634	1	56	0.0	-75.53	421.92	8.44	-67.09
C[N@H+](CCNC(=O)NCCCCCCC(=O)[O-])C1CCCC1	REAL300013787635	0	53	0.0	-76.04	400.44	7.64	-68.40
C[N@@H+](CCNC(=O)NCCCCCCC(=O)[O-])C1CCCC1	REAL300013787635	1	53	0.0	-76.17	400.42	7.66	-68.51
C[N@H+](CCNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1CCCC1	REAL300013787636	0	51	0.0	-77.45	365.93	8.52	-68.93
C[N@@H+](CCNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1CCCC1	REAL300013787636	1	51	0.0	-77.57	365.25	8.55	-69.02
COCC1(C(=O)[O-])CCCN(C(=O)NCC[N@H+](C)C2CCCC2)C1	REAL300013787637	0	55	0.0	-82.11	397.70	7.69	-74.42
COCC1(C(=O)[O-])CCCN(C(=O)NCC[N@@H+](C)C2CCCC2)C1	REAL300013787637	1	55	0.0	-82.13	397.73	7.68	-74.45
COCCN(CCC(=O)[O-])C(=O)NCC[N@H+](C)C1CCCC1	REAL300013787638	0	51	0.0	-57.13	385.24	7.06	-50.07
COCCN(CCC(=O)[O-])C(=O)NCC[N@@H+](C)C1CCCC1	REAL300013787638	1	51	0.0	-56.74	385.26	7.05	-49.69
C[N@H+](CCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C1CCCC1	REAL300013787639	0	57	0.0	-76.77	423.79	9.73	-67.04
C[N@@H+](CCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C1CCCC1	REAL300013787639	1	57	0.0	-78.62	423.66	9.29	-69.33
C[N@H+](CCNC(=O)N1CCCC(CCC(=O)[O-])C1)C1CCCC1	REAL300013787640	0	54	0.0	-76.56	390.83	9.23	-67.33
C[N@@H+](CCNC(=O)N1CCCC(CCC(=O)[O-])C1)C1CCCC1	REAL300013787640	1	54	0.0	-76.59	390.74	9.23	-67.36
C[N@H+](CCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1CCCC1	REAL300013787641	0	52	0.0	-75.99	383.05	10.54	-65.45
C[N@@H+](CCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1CCCC1	REAL300013787641	1	52	0.0	-75.12	383.03	10.55	-64.57
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC[N@@H+](C)C2CCCC2)CCO1	REAL300013787642	0	59	0.0	-74.76	440.00	7.52	-67.24
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC[N@H+](C)C2CCCC2)CCO1	REAL300013787642	1	59	0.0	-75.25	438.52	8.44	-66.81
C[N@H+](CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1CCCC1	REAL300013787643	0	49	0.0	-67.82	362.95	6.55	-61.27
C[N@@H+](CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1CCCC1	REAL300013787643	1	49	0.0	-68.00	362.93	6.56	-61.44
CC1CCC(C(=O)[O-])CN1C(=O)NCC[N@H+](C)C1CCCC1	REAL300013787644	0	51	0.0	-76.58	365.79	8.36	-68.22
CC1CCC(C(=O)[O-])CN1C(=O)NCC[N@@H+](C)C1CCCC1	REAL300013787644	1	51	0.0	-57.19	364.49	8.38	-48.81
C[N@H+](CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1CCCC1	REAL300013787645	0	55	0.0	-65.00	413.11	10.39	-54.61
C[N@@H+](CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1CCCC1	REAL300013787645	1	55	0.0	-65.11	413.08	10.41	-54.70
C[N@H+](CCNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1CCCC1	REAL300013787646	0	49	0.0	-73.84	360.06	5.35	-68.49
C[N@@H+](CCNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1CCCC1	REAL300013787646	1	49	0.0	-74.16	360.07	5.35	-68.81
C[N@H+](CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1CCCC1	REAL300013787647	0	52	0.0	-73.48	396.38	8.63	-64.85
C[N@@H+](CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1CCCC1	REAL300013787647	1	52	0.0	-71.83	394.07	8.56	-63.27
C[N@H+](CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1CCCC1	REAL300013787648	0	55	0.0	-79.35	402.01	7.62	-71.73
C[N@@H+](CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1CCCC1	REAL300013787648	1	55	0.0	-81.25	402.00	7.64	-73.61
COCC1(C(=O)[O-])CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1	REAL300013787649	0	55	0.0	-74.21	394.48	7.85	-66.36
COCC1(C(=O)[O-])CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1	REAL300013787649	1	55	0.0	-73.65	394.49	7.84	-65.81
C[N@H+](CCNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1CCCC1	REAL300013787650	0	57	0.0	-66.48	397.06	8.09	-58.39
C[N@@H+](CCNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1CCCC1	REAL300013787650	1	57	0.0	-66.20	397.04	8.10	-58.10
C[N@H+](CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1CCCC1	REAL300013787651	0	51	0.0	-66.97	373.65	7.51	-59.46
C[N@@H+](CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1CCCC1	REAL300013787651	1	51	0.0	-66.81	372.06	7.49	-59.32
C[N@H+](CCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1CCCC1	REAL300013787652	0	54	0.0	-74.82	394.78	7.78	-67.04
C[N@@H+](CCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1CCCC1	REAL300013787652	1	54	0.0	-75.65	396.07	7.82	-67.83
C[N@H+](CCNC(=O)N1CCC(CC(=O)[O-])CC1)C1CCCC1	REAL300013787653	0	51	0.0	-66.68	368.14	8.46	-58.22
C[N@@H+](CCNC(=O)N1CCC(CC(=O)[O-])CC1)C1CCCC1	REAL300013787653	1	51	0.0	-66.55	368.10	8.44	-58.11
C[N@H+](CCNC(=O)N1CCC(OCC(=O)[O-])CC1)C1CCCC1	REAL300013787654	0	52	0.0	-75.52	384.68	7.86	-67.66
C[N@@H+](CCNC(=O)N1CCC(OCC(=O)[O-])CC1)C1CCCC1	REAL300013787654	1	52	0.0	-75.00	384.67	7.87	-67.13
C[N@H+](CCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1CCCC1	REAL300013787655	0	51	0.0	-70.73	376.35	7.08	-63.65
C[N@@H+](CCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1CCCC1	REAL300013787655	1	51	0.0	-70.98	376.33	7.10	-63.88
C[N@H+](CCNC(=O)NC1CCCC(C(=O)[O-])C1)C1CCCC1	REAL300013787656	0	51	0.0	-70.42	375.81	7.09	-63.33
C[N@@H+](CCNC(=O)NC1CCCC(C(=O)[O-])C1)C1CCCC1	REAL300013787656	1	51	0.0	-68.15	371.89	7.52	-60.63
C[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCCOC1)C1CCCC1	REAL300013787657	0	52	0.0	-65.68	381.15	5.95	-59.73
C[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCCOC1)C1CCCC1	REAL300013787657	1	52	0.0	-65.11	381.13	5.94	-59.17
C[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCOC1)C1CCCC1	REAL300013787658	0	49	0.0	-61.84	363.08	4.64	-57.20
C[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCOC1)C1CCCC1	REAL300013787658	1	49	0.0	-61.47	363.07	4.64	-56.83
C[N@H+](CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C1CCCC1	REAL300013787659	0	60	0.0	-75.50	448.92	9.78	-65.72
C[N@@H+](CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C1CCCC1	REAL300013787659	1	60	0.0	-75.56	448.90	9.80	-65.76
C[N@H+](CCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1CCCC1	REAL300013787660	0	52	0.0	-64.01	378.20	8.56	-55.45
C[N@@H+](CCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1CCCC1	REAL300013787660	1	52	0.0	-64.12	378.20	8.56	-55.56
C[N@H+](CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1CCCC1	REAL300013787661	0	48	0.0	-66.74	369.88	7.65	-59.09
C[N@@H+](CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1CCCC1	REAL300013787661	1	48	0.0	-66.22	369.87	7.64	-58.58
C[N@H+](CCNC(=O)N1CCOC(C)(C(=O)[O-])C1)C1CCCC1	REAL300013787662	0	49	0.0	-77.92	358.24	7.02	-70.90
C[N@@H+](CCNC(=O)N1CCOC(C)(C(=O)[O-])C1)C1CCCC1	REAL300013787662	1	49	0.0	-77.84	358.29	7.03	-70.81
COC1CC(C(=O)[O-])CN(C(=O)NCC[N@H+](C)C2CCCC2)C1	REAL300013787663	0	52	0.0	-59.98	381.47	6.87	-53.11
COC1CC(C(=O)[O-])CN(C(=O)NCC[N@@H+](C)C2CCCC2)C1	REAL300013787663	1	52	0.0	-60.33	381.49	6.87	-53.46
C[N@H+](CCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C1CCCC1	REAL300013787664	0	57	0.0	-78.90	428.93	6.35	-72.55
C[N@@H+](CCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C1CCCC1	REAL300013787664	1	57	0.0	-84.46	428.94	6.35	-78.11
CC(C)(C)C1=CSC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013787697	1	53	0.0	-38.70	420.23	6.75	-31.95
CC(C)(C)C1=CSC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013787769	1	50	0.0	-36.67	398.72	5.99	-30.68
O=C([O-])C1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	REAL300013787811	0	53	0.0	-65.98	367.90	6.84	-59.14
O=C([O-])C1=CC=C(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C=C1	REAL300013787812	0	53	0.0	-74.17	390.30	6.38	-67.79
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCO1	REAL300013787813	0	51	0.0	-75.03	359.46	5.23	-69.80
O=C([O-])C1CCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	REAL300013787814	0	56	0.0	-76.88	392.94	6.07	-70.81
O=C([O-])CCCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300013787815	0	52	0.0	-72.90	374.23	5.04	-67.86
O=C([O-])C1=CC(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)=CC=C1	REAL300013787816	0	53	0.0	-74.36	390.31	6.38	-67.98
O=C([O-])CCCCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300013787817	0	55	0.0	-71.53	395.72	5.82	-65.71
CC(C)(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300013787818	0	52	0.0	-72.57	366.67	4.92	-67.65
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787819	0	53	0.0	-70.55	370.69	6.37	-64.18
CC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787820	0	56	0.0	-75.20	387.85	7.33	-67.87
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	REAL300013787821	0	56	0.0	-68.61	380.59	7.07	-61.54
O=C([O-])CCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300013787822	0	49	0.0	-66.28	352.73	4.26	-62.02
CC1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1C(=O)[O-]	REAL300013787823	0	56	0.0	-74.59	382.54	7.20	-67.39
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCOCC1	REAL300013787824	0	57	0.0	-55.47	391.01	4.47	-51.00
CC(C)(CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300013787825	0	55	0.0	-67.26	386.01	5.14	-62.12
CCC(CC)(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300013787826	0	58	0.0	-57.83	395.05	6.24	-51.59
CC(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300013787827	0	49	0.0	-70.03	349.77	4.22	-65.81
CC(C)C(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300013787828	0	55	0.0	-57.07	388.52	5.41	-51.66
CC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013787829	0	62	0.0	-74.47	426.19	6.87	-67.60
CC(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013787830	0	59	0.0	-60.58	421.60	7.58	-53.00
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787831	0	53	0.0	-63.34	373.95	5.53	-57.81
O=C([O-])CCC1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	REAL300013787832	0	59	0.0	-71.26	407.20	8.23	-63.03
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1([NH+]3CCCC3)CCOCC1)C2	REAL300013787833	0	55	0.0	-70.40	383.85	5.04	-65.36
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCC1	REAL300013787834	0	56	0.0	-59.10	389.23	6.05	-53.05
CC1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC1C(=O)[O-]	REAL300013787835	0	56	0.0	-70.76	379.76	7.49	-63.27
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC1	REAL300013787836	0	53	0.0	-57.37	373.02	5.62	-51.75
O=C([O-])CC(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1	REAL300013787837	0	56	0.0	-69.47	390.53	6.87	-62.60
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	REAL300013787838	0	56	0.0	-68.61	380.59	7.07	-61.54
CC(C)C[C@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)CC(=O)[O-]	REAL300013787839	0	61	0.0	-64.18	418.89	6.69	-57.49
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300013787840	0	53	0.0	-66.05	383.91	6.49	-59.56
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787841	0	57	0.0	-77.58	402.80	5.47	-72.11
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787842	0	50	0.0	-67.83	357.98	4.84	-62.99
O=C([O-])CN1CCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	REAL300013787843	0	58	0.0	-70.40	405.97	3.91	-66.49
O=C([O-])[C@@H]1CCCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787844	0	53	0.0	-74.74	366.65	6.74	-68.00
O=C([O-])[C@H]1CCCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787845	0	53	0.0	-75.03	367.12	6.77	-68.26
O=C([O-])C1CC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787846	0	50	0.0	-66.59	357.62	4.84	-61.75
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787847	0	50	0.0	-69.44	357.83	4.88	-64.56
O=C([O-])C1=CC(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)=CC=C1	REAL300013787848	0	53	0.0	-74.36	390.31	6.38	-67.98
CCC(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300013787849	0	52	0.0	-56.65	371.73	4.92	-51.73
O=C([O-])CCC1CCCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300013787850	0	59	0.0	-78.28	400.05	8.10	-70.18
O=C([O-])CCCCCCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300013787851	0	61	0.0	-74.00	438.72	7.38	-66.62
O=C([O-])CCCCCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300013787852	0	58	0.0	-75.03	417.22	6.60	-68.43
CN(CCCC(=O)[O-])C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300013787853	0	52	0.0	-70.09	370.36	6.66	-63.43
CC1(C(=O)[O-])CCCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787854	0	56	0.0	-76.13	382.51	7.51	-68.62
COCC1(C(=O)[O-])CCCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787855	0	60	0.0	-80.78	414.20	6.67	-74.11
COCCN(CCC(=O)[O-])C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300013787856	0	56	0.0	-51.01	402.04	6.02	-44.99
O=C([O-])CCC1CCCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787857	0	59	0.0	-76.18	407.48	8.22	-67.96
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC2=CC=CC=C21	REAL300013787858	0	57	0.0	-71.94	399.74	9.54	-62.40
O=C([O-])C(=O)N1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	REAL300013787859	0	54	0.0	-69.61	379.28	5.49	-64.12
CC1CCC(C(=O)[O-])CN1C(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300013787860	0	56	0.0	-75.84	383.02	7.34	-68.50
O=C([O-])C1(O)CCCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787861	0	54	0.0	-54.59	376.74	4.34	-50.25
O=C([O-])C1CC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C2=CC=CC=C21	REAL300013787862	0	57	0.0	-71.07	413.08	7.61	-63.46
O=C([O-])CN1CCCCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1=O	REAL300013787863	0	60	0.0	-76.95	418.60	6.60	-70.35
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	REAL300013787864	0	60	0.0	-71.13	410.77	6.93	-64.20
O=C([O-])C12CC(NC(=O)NCC3([NH+]4CCCC4)CCOCC3)(C1)C2	REAL300013787865	0	51	0.0	-75.26	367.75	5.06	-70.20
O=C([O-])CC1(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCCC1	REAL300013787866	0	62	0.0	-63.93	413.53	7.05	-56.88
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	REAL300013787867	0	56	0.0	-64.80	388.51	6.49	-58.31
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	REAL300013787868	0	59	0.0	-74.30	412.69	6.78	-67.52
O=C([O-])CC1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	REAL300013787869	0	56	0.0	-72.18	384.88	7.46	-64.72
O=C([O-])COC1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	REAL300013787870	0	57	0.0	-71.18	401.49	6.88	-64.30
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787871	0	56	0.0	-69.57	393.02	6.08	-63.49
O=C([O-])C1CCCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787872	0	56	0.0	-69.72	392.93	6.07	-63.65
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCOC1	REAL300013787873	0	57	0.0	-58.15	397.77	4.90	-53.25
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCOC1	REAL300013787874	0	54	0.0	-55.13	378.95	3.75	-51.38
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1([NH+]3CCCC3)CCOCC1)C2	REAL300013787875	0	51	0.0	-68.08	369.16	5.56	-62.52
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1	REAL300013787876	0	50	0.0	-55.02	358.18	5.21	-49.81
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC12CCC2	REAL300013787877	0	57	0.0	-59.95	394.91	7.55	-52.40
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787878	0	53	0.0	-65.52	387.15	6.60	-58.92
CC1(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCO1	REAL300013787879	0	54	0.0	-75.89	375.09	6.02	-69.87
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787880	0	47	0.0	-60.65	338.78	5.03	-55.62
COC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787881	0	57	0.0	-52.83	399.89	5.75	-47.08
O=C([O-])C1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013787882	0	50	0.0	-70.17	353.46	5.83	-64.34
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1([NH+]3CCCC3)CCOCC1)C2	REAL300013787883	0	51	0.0	-74.96	368.44	5.57	-69.39
CC(CCC(=O)[O-])NC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300013787884	0	52	0.0	-62.76	372.48	5.27	-57.49
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(C)N1CCOCC1	REAL300013787915	1	54	0.0	-35.92	392.99	3.01	-32.91
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NC(C)=CS1	REAL300013787984	1	47	0.0	-37.23	372.31	5.15	-32.08
CC(=O)N1CCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013788064	1	52	0.0	-42.93	388.45	5.41	-37.52
CC(C)C(=O)NCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013788115	1	48	0.0	-40.50	373.49	3.06	-37.44
O=C([O-])C[NH+]1CCC(NC(=O)NCCCN2C(=O)CCC2=O)CC1	REAL300013788172	1	48	0.0	-47.31	381.10	4.46	-42.85
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013788210	0	49	0.0	-72.24	364.50	8.31	-63.93
C=C(C)C[NH+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013788211	0	49	0.0	-76.43	388.08	7.92	-68.51
C=C(C)C[NH+]1CCC(NC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013788212	0	47	0.0	-77.74	357.10	6.73	-71.01
C=C(C)C[NH+]1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013788213	0	52	0.0	-75.39	390.97	7.62	-67.77
C=C(C)C[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013788214	0	49	0.0	-76.36	387.83	7.90	-68.46
C=C(C)C[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013788215	0	51	0.0	-73.78	393.33	7.37	-66.41
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013788216	0	59	0.0	-73.54	437.38	11.65	-61.89
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013788217	0	49	0.0	-74.66	370.91	7.84	-66.82
C=C(C)C[NH+]1CCC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013788218	0	52	0.0	-60.28	381.16	9.12	-51.16
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013788219	0	52	0.0	-74.68	377.68	8.63	-66.05
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013788220	0	52	0.0	-77.50	374.68	8.51	-68.99
C=C(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013788221	0	53	0.0	-63.15	390.44	5.98	-57.17
C=C(C)C[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013788222	0	51	0.0	-71.10	383.62	6.69	-64.41
C=C(C)C[NH+]1CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013788223	0	54	0.0	-63.88	393.02	7.82	-56.06
C=C(C)C[NH+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013788224	0	51	0.0	-66.61	386.16	6.98	-59.63
C=C(C)C[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013788225	0	58	0.0	-76.26	427.55	8.94	-67.32
C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013788226	0	55	0.0	-65.98	419.71	9.18	-56.80
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013788227	0	49	0.0	-70.34	368.39	6.93	-63.41
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013788228	0	55	0.0	-74.92	405.32	9.76	-65.16
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013788229	0	51	0.0	-74.15	379.01	6.30	-67.85
C=C(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013788230	0	52	0.0	-63.04	388.52	7.85	-55.19
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013788231	0	52	0.0	-71.17	377.33	9.01	-62.16
C=C(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013788232	0	49	0.0	-63.57	371.71	7.02	-56.55
C=C(C)C[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013788233	0	52	0.0	-73.39	395.85	7.79	-65.60
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013788234	0	52	0.0	-74.68	377.68	8.63	-66.05
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013788235	0	57	0.0	-70.77	416.85	8.25	-62.52
C=C(C)C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013788236	0	49	0.0	-70.04	381.74	8.02	-62.02
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])C2)CC1	REAL300013788237	0	53	0.0	-78.13	402.20	7.14	-70.99
C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013788238	0	54	0.0	-72.81	403.86	5.45	-67.36
C=C(C)C[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)CC1	REAL300013788239	0	59	0.0	-80.20	447.55	9.56	-70.64
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C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013788241	0	49	0.0	-77.47	364.50	8.29	-69.18
C=C(C)C[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013788242	0	49	0.0	-76.36	387.83	7.90	-68.46
C=C(C)C[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)CC1	REAL300013788243	0	59	0.0	-70.23	448.62	9.79	-60.44
C=C(C)C[NH+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013788244	0	55	0.0	-78.36	397.84	9.66	-68.70
C=C(C)C[NH+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013788245	0	57	0.0	-75.75	436.33	8.93	-66.82
C=C(C)C[NH+]1CCC(NC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013788246	0	54	0.0	-76.42	414.57	8.14	-68.28
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013788247	0	52	0.0	-78.26	379.47	9.04	-69.22
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300013788248	0	56	0.0	-82.09	411.86	8.18	-73.91
C=C(C)C[NH+]1CCC(NC(=O)N(CCOC)CCC(=O)[O-])CC1	REAL300013788249	0	52	0.0	-60.11	399.69	7.56	-52.55
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)CC1	REAL300013788250	0	58	0.0	-79.43	438.50	9.79	-69.64
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013788251	0	55	0.0	-77.04	405.22	9.71	-67.33
C=C(C)C[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013788252	0	53	0.0	-78.07	397.23	11.02	-67.05
C=C(C)C[NH+]1CCC(NC(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)CC1	REAL300013788253	0	60	0.0	-68.68	454.09	8.01	-60.67
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013788254	0	50	0.0	-68.71	376.99	7.05	-61.66
C=C(C)C[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013788255	0	52	0.0	-62.10	381.55	8.91	-53.19
C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013788256	0	56	0.0	-67.06	427.56	10.86	-56.20
C=C(C)C[NH+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013788257	0	50	0.0	-75.28	374.50	5.83	-69.45
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C=C(C)C[NH+]1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013788259	0	56	0.0	-82.79	416.77	8.16	-74.63
C=C(C)C[NH+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300013788260	0	56	0.0	-78.06	409.57	7.71	-70.35
C=C(C)C[NH+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013788261	0	47	0.0	-75.02	365.65	6.63	-68.39
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C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013788266	0	53	0.0	-75.35	399.31	8.39	-66.96
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C=C(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013788269	0	53	0.0	-63.42	392.67	6.18	-57.24
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CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NC=CS1	REAL300013788414	1	41	0.0	-35.17	337.61	4.23	-30.94
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CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013789364	0	55	0.0	-74.25	412.35	7.65	-66.60
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013789365	0	57	0.0	-67.49	417.31	9.51	-57.98
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013789366	0	55	0.0	-78.42	409.31	6.48	-71.94
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013789367	0	52	0.0	-82.82	401.45	7.24	-75.58
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CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013789369	0	60	0.0	-81.45	444.34	8.95	-72.50
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013789370	0	57	0.0	-72.14	417.89	9.62	-62.52
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013789371	0	58	0.0	-79.66	434.43	9.00	-70.66
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013789372	0	57	0.0	-77.87	425.93	8.24	-69.63
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013789373	0	57	0.0	-75.27	422.19	8.63	-66.64
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013789374	0	58	0.0	-66.09	428.55	6.80	-59.29
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013789375	0	55	0.0	-70.01	413.34	5.75	-64.26
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013789376	0	52	0.0	-76.39	402.47	7.74	-68.65
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013789377	0	51	0.0	-67.52	391.84	7.37	-60.15
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013789378	0	58	0.0	-70.61	428.50	9.71	-60.90
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013789379	0	55	0.0	-82.34	407.85	8.16	-74.18
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013789380	0	48	0.0	-70.39	372.48	7.22	-63.17
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C(C)C3=CC=NC=C3)CC2)C1	REAL300013789381	0	58	0.0	-68.26	431.20	8.00	-60.26
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013789382	0	51	0.0	-79.68	386.64	8.04	-71.64
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013789383	0	52	0.0	-85.17	394.94	7.12	-78.05
CC(CCC(=O)[O-])NC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1	REAL300013789384	0	53	0.0	-72.97	405.37	7.46	-65.51
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(F)=N2)CC1	REAL300013789396	1	41	0.0	-39.17	334.53	4.37	-34.80
CC1=CC=C(C(CN2C=CN=C2)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=C1	REAL300013789449	1	58	0.0	-38.78	439.61	10.07	-28.71
CC1CC(CNC(=O)N2CCC(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789480	0	55	0.0	-74.34	414.88	10.60	-63.74
CC1CC(CNC(=O)N2CCC(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789480	1	55	0.0	-74.63	405.60	10.12	-64.51
CC1CC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789481	0	55	0.0	-77.40	436.19	10.14	-67.26
CC1CC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789481	1	55	0.0	-77.42	436.20	10.14	-67.28
CC1CC(CNC(=O)N2CCOC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789482	0	53	0.0	-79.93	405.21	8.97	-70.96
CC1CC(CNC(=O)N2CCOC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789482	1	53	0.0	-64.02	399.67	8.64	-55.38
CC1CC(CNC(=O)NC2CCC(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789483	0	58	0.0	-68.49	433.07	10.21	-58.28
CC1CC(CNC(=O)NC2CCC(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789483	1	58	0.0	-69.27	426.28	9.85	-59.42
CC1CC(CNC(=O)NCCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013789484	0	54	0.0	-77.06	419.93	8.82	-68.24
CC1CC(CNC(=O)NCCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013789484	1	54	0.0	-77.06	419.93	8.82	-68.24
CC1CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789485	0	55	0.0	-76.88	436.20	10.13	-66.75
CC1CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789485	1	55	0.0	-76.10	437.04	10.11	-65.99
CC1CC(CNC(=O)NCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013789486	0	48	0.0	-74.08	376.94	7.24	-66.84
CC1CC(CNC(=O)NCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013789486	1	48	0.0	-74.10	376.94	7.24	-66.86
CC1CC(CNC(=O)NCCCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013789487	0	57	0.0	-75.69	441.43	9.60	-66.09
CC1CC(CNC(=O)NCCCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013789487	1	57	0.0	-75.68	441.43	9.60	-66.08
CC1CC(CNC(=O)NCC(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013789488	0	54	0.0	-77.43	412.37	8.70	-68.73
CC1CC(CNC(=O)NCC(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013789488	1	54	0.0	-77.34	411.79	8.71	-68.63
CC1CC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789489	0	55	0.0	-78.32	411.51	9.73	-68.59
CC1CC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789489	1	55	0.0	-75.06	410.16	9.86	-65.20
CC1CC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789490	0	58	0.0	-79.55	434.80	11.02	-68.53
CC1CC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789490	1	58	0.0	-61.24	421.92	10.98	-50.26
CC1CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789491	0	58	0.0	-75.92	428.33	10.86	-65.06
CC1CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789491	1	58	0.0	-75.81	418.81	10.37	-65.44
CC1CC(CNC(=O)NCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013789492	0	51	0.0	-71.49	398.44	8.04	-63.45
CC1CC(CNC(=O)NCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013789492	1	51	0.0	-71.50	398.44	8.04	-63.46
CC1CC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789493	0	58	0.0	-81.24	418.17	10.39	-70.85
CC1CC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789493	1	58	0.0	-81.76	419.75	10.49	-71.27
CC1CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789494	0	59	0.0	-66.70	441.27	8.31	-58.39
CC1CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789494	1	59	0.0	-64.45	430.09	7.86	-56.59
CC1CC(CNC(=O)NCCC(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013789495	0	57	0.0	-72.34	431.72	8.92	-63.42
CC1CC(CNC(=O)NCCC(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013789495	1	57	0.0	-72.34	431.72	8.92	-63.42
CCC(CC)(CNC(=O)NCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013789496	0	60	0.0	-63.54	432.52	9.52	-54.02
CCC(CC)(CNC(=O)NCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013789496	1	60	0.0	-66.83	444.03	9.72	-57.11
CC(CNC(=O)NCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013789497	0	51	0.0	-75.58	395.48	8.00	-67.58
CC(CNC(=O)NCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013789497	1	51	0.0	-75.50	390.18	7.66	-67.84
CC(C)C(CNC(=O)NCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013789498	0	57	0.0	-67.50	434.23	9.19	-58.31
CC(C)C(CNC(=O)NCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013789498	1	57	0.0	-67.48	434.22	9.19	-58.29
CC1CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789499	0	55	0.0	-68.89	420.11	9.25	-59.64
CC1CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789499	1	55	0.0	-68.79	419.79	9.29	-59.50
CC1CC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789500	0	61	0.0	-75.76	455.72	12.09	-63.67
CC1CC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789500	1	61	0.0	-74.26	447.65	11.61	-62.65
CC1CC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789501	0	57	0.0	-76.55	423.62	8.28	-68.27
CC1CC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789501	1	57	0.0	-74.28	430.67	8.72	-65.56
CC1CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789502	0	58	0.0	-66.89	439.72	10.19	-56.70
CC1CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789502	1	58	0.0	-64.99	437.72	10.07	-54.92
CC1CC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789503	0	58	0.0	-74.27	420.08	11.01	-63.26
CC1CC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789503	1	58	0.0	-72.77	419.20	10.96	-61.81
CC1CC(CNC(=O)NCC2(C(=O)[O-])CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789504	0	55	0.0	-64.60	413.33	9.05	-55.55
CC1CC(CNC(=O)NCC2(C(=O)[O-])CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789504	1	55	0.0	-64.37	412.95	8.89	-55.48
CC1CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789505	0	58	0.0	-72.76	436.14	10.68	-62.08
CC1CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789505	1	58	0.0	-75.38	437.16	9.66	-65.72
CC1CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789506	0	58	0.0	-75.92	428.33	10.86	-65.06
CC1CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789506	1	58	0.0	-75.81	418.81	10.37	-65.44
CC(C)C[C@H](CNC(=O)NCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013789507	0	63	0.0	-72.24	458.15	10.05	-62.19
CC(C)C[C@H](CNC(=O)NCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013789507	1	63	0.0	-73.43	464.94	10.42	-63.01
CC1CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013789508	0	55	0.0	-71.01	429.81	10.24	-60.77
CC1CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013789508	1	55	0.0	-72.04	429.80	10.25	-61.79
COCC1(C(=O)[O-])CCN(C(=O)NCC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013789509	0	59	0.0	-77.24	443.47	8.85	-68.39
COCC1(C(=O)[O-])CCN(C(=O)NCC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013789509	1	59	0.0	-77.61	442.59	9.51	-68.10
CC1CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789510	0	52	0.0	-72.45	399.63	8.31	-64.14
CC1CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789510	1	52	0.0	-71.81	403.56	8.58	-63.23
CC1CC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789511	0	60	0.0	-74.43	451.94	7.68	-66.75
CC1CC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789511	1	60	0.0	-76.99	444.69	7.27	-69.72
CC1CC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789512	0	55	0.0	-61.58	413.53	10.44	-51.14
CC1CC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789512	1	55	0.0	-61.14	413.22	10.50	-50.64
CC1CC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789513	0	55	0.0	-62.05	408.25	10.24	-51.81
CC1CC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789513	1	55	0.0	-80.42	407.01	10.19	-70.23
CC1CC(CNC(=O)NC2CC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789514	0	52	0.0	-71.96	406.69	8.71	-63.25
CC1CC(CNC(=O)NC2CC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789514	1	52	0.0	-74.08	398.16	8.29	-65.79
CC1CC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789515	0	52	0.0	-74.00	397.03	8.27	-65.73
CC1CC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789515	1	52	0.0	-73.83	403.74	8.65	-65.18
CC1CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789516	0	55	0.0	-76.88	436.20	10.13	-66.75
CC1CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789516	1	55	0.0	-76.10	437.04	10.11	-65.99
CCC(CNC(=O)NCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013789517	0	54	0.0	-64.25	405.72	8.55	-55.70
CCC(CNC(=O)NCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013789517	1	54	0.0	-64.79	412.42	8.81	-55.98
CC1CC(CNC(=O)N2CCCCC2CCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013789518	0	61	0.0	-81.08	447.72	11.84	-69.24
CC1CC(CNC(=O)N2CCCCC2CCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013789518	1	61	0.0	-82.54	440.77	11.58	-70.96
CC1CC(CNC(=O)NCCCCCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013789519	0	63	0.0	-77.80	484.43	11.16	-66.64
CC1CC(CNC(=O)NCCCCCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013789519	1	63	0.0	-77.81	484.43	11.16	-66.65
CC1CC(CNC(=O)NCCCCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013789520	0	60	0.0	-78.86	462.93	10.38	-68.48
CC1CC(CNC(=O)NCCCCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013789520	1	60	0.0	-78.80	462.93	10.38	-68.42
CC1CC(CNC(=O)N(C)CCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013789521	0	54	0.0	-77.35	416.06	10.43	-66.92
CC1CC(CNC(=O)N(C)CCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013789521	1	54	0.0	-77.22	409.26	10.06	-67.16
CC1CC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789522	0	58	0.0	-80.10	428.78	11.20	-68.90
CC1CC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789522	1	58	0.0	-80.97	421.68	10.88	-70.09
COCCN(CCC(=O)[O-])C(=O)NCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300013789523	0	58	0.0	-59.39	436.63	9.64	-49.75
COCCN(CCC(=O)[O-])C(=O)NCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300013789523	1	58	0.0	-59.02	447.75	9.79	-49.23
CC1CC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789524	0	61	0.0	-80.17	448.04	11.62	-68.55
CC1CC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789524	1	61	0.0	-80.16	447.84	11.64	-68.52
CC1CC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789525	0	56	0.0	-69.46	428.22	9.40	-60.06
CC1CC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789525	1	56	0.0	-72.32	418.29	8.81	-63.51
CC1CC(CNC(=O)N2CC(C(=O)[O-])CCC2C)C[N@@H+]1CC1=CC=CC=C1	REAL300013789526	0	58	0.0	-59.95	427.41	11.09	-48.86
CC1CC(CNC(=O)N2CC(C(=O)[O-])CCC2C)C[N@H+]1CC1=CC=CC=C1	REAL300013789526	1	58	0.0	-61.09	422.77	10.76	-50.33
CC1CC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789527	0	56	0.0	-77.18	423.49	8.00	-69.18
CC1CC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789527	1	56	0.0	-77.89	415.88	7.73	-70.16
CC1CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C[N@@H+]1CC1=CC=CC=C1	REAL300013789528	0	53	0.0	-78.35	416.42	8.95	-69.40
CC1CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C[N@H+]1CC1=CC=CC=C1	REAL300013789528	1	53	0.0	-79.27	413.83	8.79	-70.48
CC1CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789529	0	58	0.0	-69.18	434.38	10.27	-58.91
CC1CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789529	1	58	0.0	-69.29	426.13	9.90	-59.39
CC1CC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789530	0	61	0.0	-77.33	458.83	10.51	-66.82
CC1CC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789530	1	61	0.0	-77.43	458.53	10.55	-66.88
CC1CC(CNC(=O)N2CCC(CC(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789531	0	58	0.0	-68.97	433.41	11.31	-57.66
CC1CC(CNC(=O)N2CCC(CC(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789531	1	58	0.0	-69.19	424.14	10.83	-58.36
CC1CC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789532	0	59	0.0	-78.21	449.95	10.69	-67.52
CC1CC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789532	1	59	0.0	-77.89	441.98	10.26	-67.63
CC1CC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789533	0	58	0.0	-72.74	434.40	9.52	-63.22
CC1CC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789533	1	58	0.0	-72.32	441.06	9.87	-62.45
CC1CC(CNC(=O)NC2CCCC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789534	0	58	0.0	-70.66	428.56	9.90	-60.76
CC1CC(CNC(=O)NC2CCCC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789534	1	58	0.0	-72.42	437.51	9.80	-62.62
CC1CC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789535	0	59	0.0	-63.29	439.35	8.29	-55.00
CC1CC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789535	1	59	0.0	-62.73	439.35	8.29	-54.44
CC1CC(CNC(=O)NCC2(C(=O)[O-])CCOC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789536	0	56	0.0	-66.03	428.10	7.53	-58.50
CC1CC(CNC(=O)NCC2(C(=O)[O-])CCOC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789536	1	56	0.0	-66.59	428.10	7.53	-59.06
CC1CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C[N@@H+]1CC1=CC=CC=C1	REAL300013789537	0	53	0.0	-72.37	408.63	8.94	-63.43
CC1CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C[N@H+]1CC1=CC=CC=C1	REAL300013789537	1	53	0.0	-72.93	408.82	8.96	-63.97
CC1CC(CNC(=O)NCC2(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789538	0	52	0.0	-62.48	404.08	8.97	-53.51
CC1CC(CNC(=O)NCC2(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013789538	1	52	0.0	-63.02	397.29	8.61	-54.41
CC1CC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789539	0	59	0.0	-64.83	441.34	11.34	-53.49
CC1CC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789539	1	59	0.0	-67.24	444.63	11.45	-55.79
CC1CC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789540	0	56	0.0	-80.03	421.82	9.68	-70.35
CC1CC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789540	1	56	0.0	-80.99	414.03	9.39	-71.60
CC1CC(CNC(=O)N2CC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789541	0	49	0.0	-68.76	378.63	8.60	-60.16
CC1CC(CNC(=O)N2CC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789541	1	49	0.0	-67.97	379.42	8.47	-59.50
COC1CC(C(=O)[O-])CN(C(=O)NCC2CC(C)[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013789542	0	59	0.0	-62.14	439.58	9.14	-53.00
COC1CC(C(=O)[O-])CN(C(=O)NCC2CC(C)[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013789542	1	59	0.0	-62.25	446.82	9.73	-52.52
CC1CC(CNC(=O)N2CCC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013789543	0	52	0.0	-75.43	393.91	9.26	-66.17
CC1CC(CNC(=O)N2CCC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013789543	1	52	0.0	-75.29	394.23	9.25	-66.04
CC1CC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C[N@@H+]1CC1=CC=CC=C1	REAL300013789544	0	53	0.0	-78.74	410.67	9.03	-69.71
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CC1CC(CCNC(=O)NCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013791404	1	51	0.0	-74.30	398.71	7.92	-66.38
CC1CC(CCNC(=O)NCCCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013791405	0	60	0.0	-75.26	462.31	10.28	-64.98
CC1CC(CCNC(=O)NCCCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013791405	1	60	0.0	-75.97	463.20	10.28	-65.69
CC1CC(CCNC(=O)NCC(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013791406	0	57	0.0	-77.05	427.27	9.06	-67.99
CC1CC(CCNC(=O)NCC(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013791406	1	57	0.0	-77.30	434.14	9.37	-67.93
CC1CC(CCNC(=O)N2CCC(C)(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791407	0	58	0.0	-80.80	433.67	10.60	-70.20
CC1CC(CCNC(=O)N2CCC(C)(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791407	1	58	0.0	-75.18	439.96	10.97	-64.21
CC1CC(CCNC(=O)N2CC(C)CC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791408	0	61	0.0	-63.53	450.61	12.06	-51.47
CC1CC(CCNC(=O)N2CC(C)CC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791408	1	61	0.0	-64.10	445.30	11.76	-52.34
CC1CC(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791409	0	61	0.0	-75.09	447.37	11.43	-63.66
CC1CC(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013791409	1	61	0.0	-74.88	446.40	11.44	-63.44
CC1CC(CCNC(=O)NCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013791410	0	54	0.0	-71.39	419.31	8.72	-62.67
CC1CC(CCNC(=O)NCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013791410	1	54	0.0	-71.99	420.21	8.71	-63.28
CC1CC(CCNC(=O)N2CCC(C)C(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791411	0	61	0.0	-65.86	449.67	11.52	-54.34
CC1CC(CCNC(=O)N2CCC(C)C(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791411	1	61	0.0	-62.99	445.78	11.51	-51.48
CC1CC(CCNC(=O)NCCC(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013791412	0	60	0.0	-72.36	452.01	9.59	-62.77
CC1CC(CCNC(=O)NCCC(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013791412	1	60	0.0	-72.82	453.49	9.60	-63.22
CCC(CC)(CNC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013791413	0	63	0.0	-67.84	465.80	10.40	-57.44
CCC(CC)(CNC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013791413	1	63	0.0	-69.00	458.19	10.06	-58.94
CC(CNC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013791414	0	54	0.0	-75.73	417.25	8.67	-67.06
CC(CNC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013791414	1	54	0.0	-74.71	416.99	8.72	-65.99
CC(C)C(CNC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013791415	0	60	0.0	-68.45	456.00	9.85	-58.60
CC(C)C(CNC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013791415	1	60	0.0	-69.36	449.70	9.54	-59.82
CC1CC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791416	0	58	0.0	-71.62	441.09	10.00	-61.62
CC1CC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791416	1	58	0.0	-69.65	433.84	9.65	-60.00
CC1CC(CCNC(=O)NCC2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791417	0	61	0.0	-66.77	454.78	10.98	-55.79
CC1CC(CCNC(=O)NCC2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013791417	1	61	0.0	-68.64	458.72	10.75	-57.89
CC1CC(CCNC(=O)N2CCC(C(=O)[O-])C(C)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791418	0	61	0.0	-75.35	445.72	11.40	-63.95
CC1CC(CCNC(=O)N2CCC(C(=O)[O-])C(C)C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791418	1	61	0.0	-73.95	451.46	11.72	-62.23
CC1CC(CCNC(=O)NCC2(C(=O)[O-])CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791419	0	58	0.0	-66.66	432.83	9.73	-56.93
CC1CC(CCNC(=O)NCC2(C(=O)[O-])CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013791419	1	58	0.0	-66.51	440.41	10.06	-56.45
CC1CC(CCNC(=O)NCC(CC(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791420	0	61	0.0	-76.52	459.43	10.39	-66.13
CC1CC(CCNC(=O)NCC(CC(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013791420	1	61	0.0	-75.83	465.71	10.69	-65.14
CC1CC(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791421	0	61	0.0	-75.09	447.37	11.43	-63.66
CC1CC(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013791421	1	61	0.0	-74.88	446.40	11.44	-63.44
CC1CC(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013791422	0	58	0.0	-73.51	450.71	10.90	-62.61
CC1CC(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013791422	1	58	0.0	-74.47	451.61	10.89	-63.58
CC1CC(CCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791423	0	55	0.0	-72.17	419.09	8.96	-63.21
CC1CC(CCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791423	1	55	0.0	-72.69	425.49	9.28	-63.41
CC1CC(CCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791424	0	58	0.0	-62.84	427.54	10.86	-51.98
CC1CC(CCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791424	1	58	0.0	-63.03	433.01	11.18	-51.85
CC1CC(CCNC(=O)N2CCC[C@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791425	0	58	0.0	-78.92	434.13	11.21	-67.71
CC1CC(CCNC(=O)N2CCC[C@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791425	1	58	0.0	-78.83	434.07	11.21	-67.62
CC1CC(CCNC(=O)NC2CC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791426	0	55	0.0	-72.24	417.92	8.96	-63.28
CC1CC(CCNC(=O)NC2CC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791426	1	55	0.0	-72.75	425.63	9.28	-63.47
CC1CC(CCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791427	0	55	0.0	-74.17	420.45	9.05	-65.12
CC1CC(CCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791427	1	55	0.0	-73.58	424.21	9.34	-64.24
CC1CC(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791428	0	58	0.0	-77.09	457.08	10.81	-66.28
CC1CC(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791428	1	58	0.0	-77.28	457.98	10.80	-66.48
CCC(CNC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013791429	0	57	0.0	-69.03	439.21	9.37	-59.66
CCC(CNC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013791429	1	57	0.0	-68.84	432.92	9.06	-59.78
CC1CC(CCNC(=O)NCCCCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013791430	0	63	0.0	-77.82	483.80	11.06	-66.76
CC1CC(CCNC(=O)NCCCCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013791430	1	63	0.0	-78.67	484.70	11.05	-67.62
CC1CC(CCNC(=O)N(C)CCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013791431	0	57	0.0	-76.24	436.66	11.10	-65.14
CC1CC(CCNC(=O)N(C)CCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013791431	1	57	0.0	-76.56	437.84	11.10	-65.46
CC1CC(CCNC(=O)N2CCCC(C)(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791432	0	61	0.0	-80.66	444.94	11.65	-69.01
CC1CC(CCNC(=O)N2CCCC(C)(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791432	1	61	0.0	-80.10	443.74	11.63	-68.47
COCCN(CCC(=O)[O-])C(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300013791433	0	61	0.0	-62.73	469.52	10.47	-52.26
COCCN(CCC(=O)[O-])C(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300013791433	1	61	0.0	-62.45	463.23	10.15	-52.30
CC1CC(CCNC(=O)N2CC(C(=O)[O-])CCC2C)C[N@@H+]1CC1=CC=CC=C1	REAL300013791434	0	61	0.0	-63.60	444.36	11.46	-52.14
CC1CC(CCNC(=O)N2CC(C(=O)[O-])CCC2C)C[N@H+]1CC1=CC=CC=C1	REAL300013791434	1	61	0.0	-62.74	449.32	11.79	-50.95
CC1CC(CCNC(=O)N2CCCC(O)(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791435	0	59	0.0	-76.04	443.38	8.75	-67.29
CC1CC(CCNC(=O)N2CCCC(O)(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791435	1	59	0.0	-77.39	437.99	8.44	-68.95
CC1CC(CCNC(=O)NC23CC(C(=O)[O-])(C2)C3)C[N@@H+]1CC1=CC=CC=C1	REAL300013791436	0	56	0.0	-77.80	434.53	9.52	-68.28
CC1CC(CCNC(=O)NC23CC(C(=O)[O-])(C2)C3)C[N@H+]1CC1=CC=CC=C1	REAL300013791436	1	56	0.0	-78.97	436.76	9.60	-69.37
CC1CC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791437	0	61	0.0	-69.58	454.88	10.89	-58.69
CC1CC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013791437	1	61	0.0	-69.85	447.17	10.55	-59.30
CC1CC(CCNC(=O)N2CCC(CC(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791438	0	61	0.0	-69.97	447.32	11.58	-58.39
CC1CC(CCNC(=O)N2CCC(CC(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013791438	1	61	0.0	-69.59	446.10	11.55	-58.04
CC1CC(CCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791439	0	61	0.0	-72.92	459.16	10.50	-62.42
CC1CC(CCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791439	1	61	0.0	-73.69	460.07	10.49	-63.20
CC1CC(CCNC(=O)NC2CCCC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791440	0	61	0.0	-73.09	453.86	10.19	-62.90
CC1CC(CCNC(=O)NC2CCCC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791440	1	61	0.0	-72.71	459.29	10.47	-62.24
CC1CC(CCNC(=O)NCC2(C(=O)[O-])CCOC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791441	0	59	0.0	-68.85	442.26	7.87	-60.98
CC1CC(CCNC(=O)NCC2(C(=O)[O-])CCOC2)C[N@H+]1CC1=CC=CC=C1	REAL300013791441	1	59	0.0	-68.79	449.87	8.21	-60.58
CC1CC(CCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C[N@@H+]1CC1=CC=CC=C1	REAL300013791442	0	56	0.0	-72.84	430.56	9.67	-63.17
CC1CC(CCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C[N@H+]1CC1=CC=CC=C1	REAL300013791442	1	56	0.0	-73.65	437.00	10.00	-63.65
CC1CC(CCNC(=O)NCC2(C(=O)[O-])CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791443	0	55	0.0	-65.54	418.29	9.31	-56.23
CC1CC(CCNC(=O)NCC2(C(=O)[O-])CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013791443	1	55	0.0	-70.02	429.52	9.39	-60.63
CC1CC(CCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791444	0	62	0.0	-65.89	454.13	11.60	-54.29
CC1CC(CCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791444	1	62	0.0	-66.06	461.65	12.00	-54.06
CC1CC(CCNC(=O)N2CCOC(C)(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791445	0	59	0.0	-80.51	437.50	10.16	-70.35
CC1CC(CCNC(=O)N2CCOC(C)(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791445	1	59	0.0	-80.22	436.29	10.14	-70.08
CC1CC(CCNC(=O)N2CC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791446	0	52	0.0	-67.92	405.58	9.50	-58.42
CC1CC(CCNC(=O)N2CC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791446	1	52	0.0	-68.95	399.63	9.19	-59.76
CC1CC(CCNC(=O)N2CCC(C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013791447	0	55	0.0	-75.49	414.76	9.97	-65.52
CC1CC(CCNC(=O)N2CCC(C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013791447	1	55	0.0	-75.06	414.73	9.98	-65.08
CC1CC(CCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C[N@@H+]1CC1=CC=CC=C1	REAL300013791448	0	56	0.0	-78.44	431.37	9.77	-68.67
CC1CC(CCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C[N@H+]1CC1=CC=CC=C1	REAL300013791448	1	56	0.0	-78.04	429.47	9.70	-68.34
CC(CCC(=O)[O-])NC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1	REAL300013791449	0	57	0.0	-70.84	439.96	9.72	-61.12
CC(CCC(=O)[O-])NC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1	REAL300013791449	1	57	0.0	-70.63	433.67	9.41	-61.22
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(C3=CC=CC=N3)C2)CC1	REAL300013791481	1	50	0.0	-37.45	383.87	5.60	-31.85
O=C([O-])C[NH+]1CCC(NC(=O)NC(CC2CCOC2)C2=CC=CC=C2)CC1	REAL300013791558	1	56	0.0	-38.87	427.03	8.32	-30.55
CCC1=NNC(=O)C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1CC	REAL300013791630	1	53	0.0	-44.31	407.35	4.39	-39.92
CS(=O)(=O)N1CCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013791706	1	53	0.0	-44.39	409.71	3.10	-41.29
O=C([O-])C[NH+]1CCC(NC(=O)NC2C3CCOC3C23CCC3)CC1	REAL300013791774	1	51	0.0	-34.65	376.31	6.86	-27.79
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)S(C)(=O)=O	REAL300013791834	1	44	0.0	-44.14	349.07	1.84	-42.30
CCCCCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013791882	1	53	0.0	-35.33	401.83	7.89	-27.44
O=C([O-])C[NH+]1CCC(NC(=O)NC2C3CCOC3C23CCCC3)CC1	REAL300013791943	1	54	0.0	-34.48	390.18	7.47	-27.01
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CC1=CC=C(C2=NOC(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2)C=C1C	REAL300013793653	1	56	0.0	-40.91	435.94	7.83	-33.08
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CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013793763	1	58	0.0	-74.26	419.01	11.38	-62.88
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013793764	0	58	0.0	-78.61	441.66	11.35	-67.26
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013793764	1	58	0.0	-78.39	443.04	11.06	-67.33
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013793765	0	56	0.0	-60.26	410.82	10.16	-50.10
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013793765	1	56	0.0	-59.69	410.58	10.15	-49.54
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013793766	0	61	0.0	-70.83	439.87	11.12	-59.71
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013793766	1	61	0.0	-70.42	439.91	11.11	-59.31
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCC(=O)[O-]	REAL300013793767	0	57	0.0	-76.33	426.73	9.73	-66.60
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCC(=O)[O-]	REAL300013793767	1	57	0.0	-79.25	425.48	10.03	-69.22
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013793768	0	58	0.0	-76.05	441.74	11.34	-64.71
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013793768	1	58	0.0	-79.65	441.75	11.34	-68.31
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCC(=O)[O-]	REAL300013793769	0	51	0.0	-73.70	383.73	8.16	-65.54
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCC(=O)[O-]	REAL300013793769	1	51	0.0	-75.86	382.49	8.45	-67.41
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCCC(=O)[O-]	REAL300013793770	0	60	0.0	-75.56	448.23	10.51	-65.05
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCCC(=O)[O-]	REAL300013793770	1	60	0.0	-77.27	446.98	10.81	-66.46
CC(C)(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013793771	0	57	0.0	-79.76	417.92	9.90	-69.86
CC(C)(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013793771	1	57	0.0	-76.57	419.17	9.61	-66.96
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)C1	REAL300013793772	0	58	0.0	-81.31	422.29	11.28	-70.03
CC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)C1	REAL300013793772	1	58	0.0	-76.24	426.10	11.00	-65.24
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)C1	REAL300013793773	0	61	0.0	-56.82	435.17	12.59	-44.23
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)C1	REAL300013793773	1	61	0.0	-56.47	439.48	12.30	-44.17
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013793774	0	61	0.0	-76.84	432.47	11.72	-65.12
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013793774	1	61	0.0	-79.44	431.20	12.02	-67.42
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCC(=O)[O-]	REAL300013793775	0	54	0.0	-71.96	405.23	8.95	-63.01
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCC(=O)[O-]	REAL300013793775	1	54	0.0	-72.32	403.98	9.25	-63.07
CC1CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)CC1C(=O)[O-]	REAL300013793776	0	61	0.0	-64.22	429.60	11.64	-52.58
CC1CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)CC1C(=O)[O-]	REAL300013793776	1	61	0.0	-65.54	430.64	11.68	-53.86
CC(C)(CCNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013793777	0	60	0.0	-73.23	436.69	10.13	-63.10
CC(C)(CCNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013793777	1	60	0.0	-73.20	437.94	9.83	-63.37
CCC(CC)(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013793778	0	63	0.0	-67.02	449.58	10.93	-56.09
CCC(CC)(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013793778	1	63	0.0	-63.21	449.56	10.93	-52.28
CC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013793779	0	54	0.0	-77.41	401.84	9.24	-68.17
CC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013793779	1	54	0.0	-74.88	402.28	8.91	-65.97
CC(C)C(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013793780	0	60	0.0	-64.31	439.77	10.41	-53.90
CC(C)C(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013793780	1	60	0.0	-68.96	441.02	10.11	-58.85
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013793781	0	58	0.0	-72.44	426.64	10.22	-62.22
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013793781	1	58	0.0	-72.35	426.69	10.22	-62.13
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013793782	0	61	0.0	-62.44	442.42	11.29	-51.15
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013793782	1	61	0.0	-67.77	443.77	11.00	-56.77
CC1CN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)CC2(C)C)CCC1C(=O)[O-]	REAL300013793783	0	61	0.0	-73.29	435.28	11.84	-61.45
CC1CN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)CC2(C)C)CCC1C(=O)[O-]	REAL300013793783	1	61	0.0	-73.83	435.11	11.84	-61.99
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013793784	0	58	0.0	-60.01	424.11	10.61	-49.40
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013793784	1	58	0.0	-65.83	425.46	10.31	-55.52
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013793785	0	61	0.0	-75.06	450.75	10.94	-64.12
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013793785	1	61	0.0	-75.37	450.81	10.95	-64.42
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013793786	0	61	0.0	-76.84	432.47	11.72	-65.12
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013793786	1	61	0.0	-79.44	431.20	12.02	-67.42
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013793787	0	58	0.0	-73.04	436.61	11.16	-61.88
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013793787	1	58	0.0	-72.06	436.66	11.16	-60.90
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013793788	0	55	0.0	-72.83	410.70	9.51	-63.32
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013793788	1	55	0.0	-71.99	409.04	9.81	-62.18
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013793789	0	58	0.0	-55.96	418.51	11.72	-44.24
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013793789	1	58	0.0	-58.58	418.60	11.73	-46.85
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013793790	0	58	0.0	-82.96	419.02	11.75	-71.21
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013793790	1	58	0.0	-56.98	418.39	11.73	-45.25
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013793791	0	55	0.0	-74.95	408.86	9.86	-65.09
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NC1CC(C(=O)[O-])C1	REAL300013793791	1	55	0.0	-74.21	410.62	9.55	-64.66
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013793792	0	55	0.0	-75.88	409.22	9.85	-66.03
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013793792	1	55	0.0	-74.28	410.57	9.55	-64.73
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013793793	0	58	0.0	-76.05	441.74	11.34	-64.71
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013793793	1	58	0.0	-79.65	441.75	11.34	-68.31
CCC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013793794	0	57	0.0	-63.87	422.98	9.91	-53.96
CCC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013793794	1	57	0.0	-68.41	424.23	9.62	-58.79
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCCCC(=O)[O-]	REAL300013793795	0	63	0.0	-77.94	469.73	11.30	-66.64
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCCCCC(=O)[O-]	REAL300013793795	1	63	0.0	-81.07	468.48	11.59	-69.48
CN(CCCC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300013793796	0	57	0.0	-77.87	421.61	11.62	-66.25
CN(CCCC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300013793796	1	57	0.0	-75.96	422.86	11.33	-64.63
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013793797	0	61	0.0	-79.44	435.09	12.16	-67.28
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013793797	1	61	0.0	-79.55	434.68	12.15	-67.40
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300013793798	0	61	0.0	-55.83	453.30	10.98	-44.85
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300013793798	1	61	0.0	-64.62	454.55	10.68	-53.94
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1(C)C	REAL300013793799	0	61	0.0	-56.68	434.28	12.29	-44.39
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C	REAL300013793799	1	61	0.0	-64.87	435.56	12.00	-52.87
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013793800	0	59	0.0	-76.63	429.39	8.96	-67.67
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013793800	1	59	0.0	-76.82	429.32	8.99	-67.83
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013793801	0	56	0.0	-82.18	419.16	10.04	-72.14
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013793801	1	56	0.0	-82.22	419.18	10.05	-72.17
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CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013793802	1	61	0.0	-69.89	438.64	11.41	-58.48
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COCC1(C(=O)[O-])CCCN(C(=O)NCCCN2C=C[NH+]=C2C)C1	REAL300013794173	1	50	0.0	-78.77	385.96	7.45	-71.32
COCCN(CCC(=O)[O-])C(=O)NCCCN1C=C[NH+]=C1C	REAL300013794174	1	46	0.0	-56.26	373.77	6.82	-49.44
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CC1=[NH+]C=CN1CCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013794177	1	47	0.0	-75.30	371.55	10.31	-64.99
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CC1=[NH+]C=CN1CCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013794179	1	44	0.0	-64.25	351.46	6.32	-57.93
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CC1(C(=O)[O-])CCN(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013794645	1	55	0.0	-84.22	419.12	8.00	-76.22
CC1CC(C(=O)[O-])CN(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013794646	1	58	0.0	-67.32	432.48	9.23	-58.09
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CC1(C(=O)[O-])CN(C(=O)NC2CC[NH+](CCC3=CC=CC=C3)CC2)CCO1	REAL300013796093	0	56	0.0	-83.35	419.96	10.11	-73.24
O=C([O-])C1CN(C(=O)NC2CC[NH+](CCC3=CC=CC=C3)CC2)C1	REAL300013796094	0	49	0.0	-71.08	384.28	9.21	-61.87
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CCC3=CC=CC=C3)CC2)C1	REAL300013796095	0	59	0.0	-67.03	443.20	9.96	-57.07
O=C([O-])C1CCN(C(=O)NC2CC[NH+](CCC3=CC=CC=C3)CC2)C1	REAL300013796096	0	52	0.0	-78.25	398.72	9.97	-68.28
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CC(CCC(=O)[O-])NC(=O)NC1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300013796098	0	54	0.0	-72.36	417.36	9.41	-62.95
C[NH+](C)CCN1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013796099	0	53	0.0	-74.15	385.94	6.16	-67.99
CN(C)CC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013796099	1	53	0.0	-73.46	385.43	5.87	-67.59
C[NH+](C)CCN1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013796100	0	53	0.0	-77.53	408.84	5.63	-71.90
CN(C)CC[NH+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013796100	1	53	0.0	-77.64	409.39	5.52	-72.12
C[NH+](C)CCN1CCC(NC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013796101	0	51	0.0	-68.68	377.96	4.43	-64.25
CN(C)CC[NH+]1CCC(NC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013796101	1	51	0.0	-78.96	378.54	4.33	-74.63
C[NH+](C)CCN1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013796102	0	56	0.0	-77.24	410.16	5.28	-71.96
CN(C)CC[NH+]1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013796102	1	56	0.0	-78.15	412.47	5.24	-72.91
C[NH+](C)CCN1CCC(NC(=O)NCCCCC(=O)[O-])CC1	REAL300013796103	0	52	0.0	-76.07	392.59	4.30	-71.77
CN(C)CC[NH+]1CCC(NC(=O)NCCCCC(=O)[O-])CC1	REAL300013796103	1	52	0.0	-76.08	393.14	4.20	-71.88
C[NH+](C)CCN1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013796104	0	53	0.0	-78.92	408.85	5.62	-73.30
CN(C)CC[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013796104	1	53	0.0	-77.57	409.84	5.56	-72.01
C[NH+](C)CCN1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013796105	0	55	0.0	-75.29	414.08	5.09	-70.20
CN(C)CC[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013796105	1	55	0.0	-74.95	414.64	4.98	-69.97
C[NH+](C)CCN1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013796106	0	52	0.0	-76.41	385.02	4.19	-72.22
CN(C)CC[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013796106	1	52	0.0	-76.12	385.00	4.10	-72.02
C[NH+](C)CCN1CCC(NC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013796107	0	53	0.0	-81.76	389.47	5.76	-76.00
CN(C)CC[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013796107	1	53	0.0	-75.92	392.93	5.51	-70.41
CC1CC(C(=O)[O-])CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C1	REAL300013796108	0	56	0.0	-66.40	402.90	6.98	-59.42
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C1	REAL300013796108	1	56	0.0	-61.96	407.00	6.49	-55.47
C[NH+](C)CCN1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013796109	0	56	0.0	-76.51	399.24	6.40	-70.11
CN(C)CC[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013796109	1	56	0.0	-76.27	399.33	6.25	-70.02
C[NH+](C)CCN1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013796110	0	49	0.0	-72.06	371.08	3.53	-68.53
CN(C)CC[NH+]1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013796110	1	49	0.0	-71.18	371.64	3.42	-67.76
CC1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1C(=O)[O-]	REAL300013796111	0	56	0.0	-78.05	402.18	6.61	-71.44
CC1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1C(=O)[O-]	REAL300013796111	1	56	0.0	-61.97	396.28	6.16	-55.81
C[NH+](C)CCN1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013796112	0	57	0.0	-70.63	411.17	3.69	-66.94
CN(C)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013796112	1	57	0.0	-65.72	411.71	3.58	-62.14
C[NH+](C)CCN1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013796113	0	55	0.0	-72.91	404.37	4.42	-68.49
CN(C)CC[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013796113	1	55	0.0	-72.26	404.93	4.30	-67.96
CCC(CC)(CNC(=O)NC1CCN(CC[NH+](C)C)CC1)C(=O)[O-]	REAL300013796114	0	58	0.0	-69.18	411.98	5.37	-63.81
CCC(CC)(CNC(=O)NC1CC[NH+](CCN(C)C)CC1)C(=O)[O-]	REAL300013796114	1	58	0.0	-66.40	417.23	5.10	-61.30
CC(CNC(=O)NC1CCN(CC[NH+](C)C)CC1)C(=O)[O-]	REAL300013796115	0	49	0.0	-75.10	368.13	3.49	-71.61
CC(CNC(=O)NC1CC[NH+](CCN(C)C)CC1)C(=O)[O-]	REAL300013796115	1	49	0.0	-74.42	367.82	3.37	-71.05
CC(C)C(CNC(=O)NC1CCN(CC[NH+](C)C)CC1)C(=O)[O-]	REAL300013796116	0	55	0.0	-70.42	406.88	4.67	-65.75
CC(C)C(CNC(=O)NC1CC[NH+](CCN(C)C)CC1)C(=O)[O-]	REAL300013796116	1	55	0.0	-67.83	407.43	4.58	-63.25
CC(NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013796117	0	62	0.0	-79.11	449.03	6.77	-72.34
CC(NC(=O)NC1CC[NH+](CCN(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013796117	1	62	0.0	-77.85	448.93	6.55	-71.30
C[NH+](C)CCN1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013796118	0	59	0.0	-69.65	435.82	6.96	-62.69
CN(C)CC[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013796118	1	59	0.0	-67.90	440.96	6.78	-61.12
C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013796119	0	53	0.0	-72.20	392.50	4.80	-67.40
CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013796119	1	53	0.0	-71.68	393.32	4.69	-66.99
C[NH+](C)CCN1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013796120	0	59	0.0	-75.93	426.78	7.60	-68.33
CN(C)CC[NH+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013796120	1	59	0.0	-76.10	426.24	7.33	-68.77
C[NH+](C)CCN1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013796121	0	55	0.0	-79.02	403.26	4.20	-74.82
CN(C)CC[NH+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013796121	1	55	0.0	-75.40	403.62	4.05	-71.35
C[NH+](C)CCN1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013796122	0	56	0.0	-71.09	409.53	5.58	-65.51
CN(C)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013796122	1	56	0.0	-65.75	410.08	5.47	-60.28
CC1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CCC1C(=O)[O-]	REAL300013796123	0	56	0.0	-73.68	399.34	6.89	-66.79
CC1CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CCC1C(=O)[O-]	REAL300013796123	1	56	0.0	-72.13	399.09	6.67	-65.46
C[NH+](C)CCN1CCC(NC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013796124	0	53	0.0	-69.34	392.47	4.74	-64.60
CN(C)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013796124	1	53	0.0	-65.05	393.01	4.63	-60.42
C[NH+](C)CCN1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013796125	0	56	0.0	-75.45	416.59	5.50	-69.95
CN(C)CC[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013796125	1	56	0.0	-74.29	417.59	5.45	-68.84
C[NH+](C)CCN1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013796126	0	56	0.0	-76.51	399.24	6.40	-70.11
CN(C)CC[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013796126	1	56	0.0	-76.27	399.33	6.25	-70.02
CC(C)C[C@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)CC(=O)[O-]	REAL300013796127	0	61	0.0	-70.50	442.99	6.14	-64.36
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)CC(=O)[O-]	REAL300013796127	1	61	0.0	-71.18	438.59	5.85	-65.33
C[NH+](C)CCN1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013796128	0	53	0.0	-77.03	402.47	5.74	-71.29
CN(C)CC[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013796128	1	53	0.0	-71.22	403.45	5.67	-65.55
COCC1(C(=O)[O-])CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C1	REAL300013796129	0	57	0.0	-80.42	423.90	4.84	-75.58
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C1	REAL300013796129	1	57	0.0	-76.92	423.80	4.62	-72.30
C[NH+](C)CCN1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013796130	0	50	0.0	-73.00	376.16	4.09	-68.91
CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013796130	1	50	0.0	-72.04	377.12	3.98	-68.06
C[NH+](C)CCN1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013796131	0	58	0.0	-76.55	424.13	3.11	-73.44
C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013796132	0	53	0.0	-66.56	385.10	5.98	-60.58
CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013796132	1	53	0.0	-61.96	386.10	5.92	-56.04
C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013796133	0	53	0.0	-78.73	386.70	6.17	-72.56
CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013796133	1	53	0.0	-78.59	386.06	5.91	-72.68
C[NH+](C)CCN1CCC(NC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013796134	0	50	0.0	-72.38	376.16	4.09	-68.29
CN(C)CC[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013796134	1	50	0.0	-72.11	377.09	3.98	-68.13
C[NH+](C)CCN1CCC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013796135	0	50	0.0	-74.09	376.45	4.14	-69.95
CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013796135	1	50	0.0	-73.57	376.98	4.02	-69.55
C[NH+](C)CCN1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013796136	0	53	0.0	-78.92	408.85	5.62	-73.30
CN(C)CC[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013796136	1	53	0.0	-77.57	409.84	5.56	-72.01
CCC(CNC(=O)NC1CCN(CC[NH+](C)C)CC1)C(=O)[O-]	REAL300013796137	0	52	0.0	-69.93	390.09	4.19	-65.74
CCC(CNC(=O)NC1CC[NH+](CCN(C)C)CC1)C(=O)[O-]	REAL300013796137	1	52	0.0	-64.08	385.63	4.19	-59.89
C[NH+](C)CCN1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013796138	0	59	0.0	-80.85	419.40	7.40	-73.45
CN(C)CC[NH+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013796138	1	59	0.0	-78.57	420.21	7.32	-71.25
C[NH+](C)CCN1CCC(NC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013796139	0	61	0.0	-77.04	457.08	6.66	-70.38
CN(C)CC[NH+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013796139	1	61	0.0	-76.85	457.63	6.54	-70.31
C[NH+](C)CCN1CCC(NC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013796140	0	58	0.0	-77.51	435.58	5.88	-71.63
CN(C)CC[NH+]1CCC(NC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013796140	1	58	0.0	-77.48	436.13	5.76	-71.72
CN(CCCC(=O)[O-])C(=O)NC1CCN(CC[NH+](C)C)CC1	REAL300013796141	0	52	0.0	-77.70	388.71	5.93	-71.77
CN(C)CC[NH+]1CCC(NC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013796141	1	52	0.0	-75.91	389.71	5.85	-70.06
C[NH+](C)CCN1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013796142	0	56	0.0	-78.74	400.48	6.76	-71.98
CN(C)CC[NH+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013796142	1	56	0.0	-79.60	401.03	6.66	-72.94
COCC1(C(=O)[O-])CCCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C1	REAL300013796143	0	60	0.0	-81.87	432.03	6.53	-75.34
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C1	REAL300013796143	1	60	0.0	-83.45	433.17	5.79	-77.66
COCCN(CCC(=O)[O-])C(=O)NC1CCN(CC[NH+](C)C)CC1	REAL300013796144	0	56	0.0	-66.51	420.40	5.26	-61.25
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](CCN(C)C)CC1	REAL300013796144	1	56	0.0	-61.33	420.95	5.16	-56.17
C[NH+](C)CCN1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013796145	0	59	0.0	-77.98	425.97	7.42	-70.56
CN(C)CC[NH+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013796145	1	59	0.0	-78.17	426.53	7.32	-70.85
C[NH+](C)CCN1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013796146	0	57	0.0	-82.12	419.40	8.92	-73.20
CN(C)CC[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013796146	1	57	0.0	-78.56	418.79	8.64	-69.92
C[NH+](C)CCN1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013796147	0	54	0.0	-70.05	399.11	4.96	-65.09
CN(C)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013796147	1	54	0.0	-69.88	399.01	4.72	-65.16
CC1CCC(C(=O)[O-])CN1C(=O)NC1CCN(CC[NH+](C)C)CC1	REAL300013796148	0	56	0.0	-66.90	400.92	6.57	-60.33
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[NH+](CCN(C)C)CC1	REAL300013796148	1	56	0.0	-63.02	402.82	6.51	-56.51
C[NH+](C)CCN1CCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013796149	0	60	0.0	-70.45	448.25	8.61	-61.84
CN(C)CC[NH+]1CCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013796149	1	60	0.0	-68.18	448.87	8.48	-59.70
C[NH+](C)CCN1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013796150	0	54	0.0	-76.25	395.24	3.56	-72.69
CN(C)CC[NH+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013796150	1	54	0.0	-76.00	396.20	3.48	-72.52
C[NH+](C)CCN1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013796151	0	57	0.0	-74.22	429.22	6.76	-67.46
CN(C)CC[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013796151	1	57	0.0	-75.48	432.52	6.79	-68.69
C[NH+](C)CCN1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013796152	0	60	0.0	-90.05	437.16	5.84	-84.21
CN(C)CC[NH+]1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013796152	1	60	0.0	-84.92	438.15	5.77	-79.15
COCC1(C(=O)[O-])CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1	REAL300013796153	0	60	0.0	-76.24	431.40	5.60	-70.64
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1	REAL300013796153	1	60	0.0	-79.57	431.33	5.37	-74.20
C[NH+](C)CCN1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013796154	0	51	0.0	-77.66	387.39	4.48	-73.18
CN(C)CC[NH+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013796154	1	51	0.0	-77.37	387.29	4.26	-73.11
C[NH+](C)CCN1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013796155	0	62	0.0	-69.75	432.20	6.31	-63.44
CN(C)CC[NH+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013796155	1	62	0.0	-71.60	433.03	6.18	-65.42
C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013796156	0	56	0.0	-70.92	405.72	5.70	-65.22
CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013796156	1	56	0.0	-69.57	406.72	5.62	-63.95
C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013796157	0	59	0.0	-77.28	431.24	6.03	-71.25
CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013796157	1	59	0.0	-77.14	431.78	5.93	-71.21
C[NH+](C)CCN1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013796158	0	56	0.0	-75.60	404.46	6.82	-68.78
CN(C)CC[NH+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013796158	1	56	0.0	-75.92	403.93	6.55	-69.37
C[NH+](C)CCN1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013796159	0	57	0.0	-77.29	421.00	6.25	-71.04
CN(C)CC[NH+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013796159	1	57	0.0	-76.34	420.50	5.96	-70.38
C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013796160	0	56	0.0	-74.16	412.57	5.46	-68.70
CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013796160	1	56	0.0	-73.05	411.50	5.18	-67.87
C[NH+](C)CCN1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013796161	0	56	0.0	-73.77	410.96	5.29	-68.48
CN(C)CC[NH+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013796161	1	56	0.0	-70.38	407.60	5.62	-64.76
C[NH+](C)CCN1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013796162	0	57	0.0	-72.42	416.29	4.17	-68.25
CN(C)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013796162	1	57	0.0	-63.95	413.96	3.78	-60.17
C[NH+](C)CCN1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013796163	0	54	0.0	-68.57	398.23	2.86	-65.71
CN(C)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013796163	1	54	0.0	-66.08	398.76	2.75	-63.33
C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013796164	0	51	0.0	-74.75	388.81	4.97	-69.78
CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013796164	1	51	0.0	-72.74	388.54	4.70	-68.04
C[NH+](C)CCN1CCC(NC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013796165	0	50	0.0	-67.67	376.37	4.35	-63.32
CN(C)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013796165	1	50	0.0	-63.00	377.27	4.36	-58.64
C[NH+](C)CCN1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013796166	0	57	0.0	-69.92	414.57	6.85	-63.07
CN(C)CC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013796166	1	57	0.0	-67.76	415.55	6.78	-60.98
C[NH+](C)CCN1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013796167	0	53	0.0	-75.69	406.10	6.05	-69.64
CN(C)CC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013796167	1	53	0.0	-68.91	406.01	5.79	-63.12
C[NH+](C)CCN1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013796168	0	54	0.0	-78.86	393.39	5.25	-73.61
CN(C)CC[NH+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013796168	1	54	0.0	-79.74	394.06	5.13	-74.61
COC1CC(C(=O)[O-])CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C1	REAL300013796169	0	57	0.0	-68.40	417.81	5.23	-63.17
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CCN(C)C)CC2)C1	REAL300013796169	1	57	0.0	-63.18	419.45	4.94	-58.24
C[NH+](C)CCN1CCC(NC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013796170	0	50	0.0	-74.77	372.22	5.10	-69.67
CN(C)CC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013796170	1	50	0.0	-75.07	372.74	4.99	-70.08
C[NH+](C)CCN1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013796171	0	51	0.0	-77.84	387.33	4.83	-73.01
CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013796171	1	51	0.0	-77.76	387.51	4.71	-73.05
CC(CCC(=O)[O-])NC(=O)NC1CCN(CC[NH+](C)C)CC1	REAL300013796172	0	52	0.0	-71.48	390.85	4.52	-66.96
CC(CCC(=O)[O-])NC(=O)NC1CC[NH+](CCN(C)C)CC1	REAL300013796172	1	52	0.0	-69.13	391.40	4.42	-64.71
O=C([O-])C1CCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CC1	REAL300013796173	0	51	0.0	-73.56	384.72	8.21	-65.35
O=C([O-])C1=CC=C(CNC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C=C1	REAL300013796174	0	51	0.0	-77.77	408.87	7.85	-69.92
O=C([O-])C1CN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CCO1	REAL300013796175	0	49	0.0	-78.04	377.89	6.66	-71.38
O=C([O-])C1CCC(NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CC1	REAL300013796176	0	54	0.0	-69.41	405.75	7.91	-61.50
O=C([O-])CCCCNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300013796177	0	50	0.0	-74.55	392.61	6.53	-68.02
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)=CC=C1	REAL300013796178	0	51	0.0	-76.31	408.88	7.84	-68.47
O=C([O-])CCNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300013796179	0	44	0.0	-71.52	349.62	4.95	-66.57
O=C([O-])CCCCCNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300013796180	0	53	0.0	-74.06	414.11	7.31	-66.75
CC(C)(CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013796181	0	50	0.0	-74.37	384.47	6.42	-67.95
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300013796182	0	51	0.0	-73.98	391.97	7.80	-66.18
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300013796183	0	54	0.0	-62.66	406.04	8.78	-53.88
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CC1	REAL300013796184	0	54	0.0	-75.62	398.35	8.53	-67.09
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300013796185	0	47	0.0	-70.31	371.12	5.75	-64.56
CC1CCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CC1C(=O)[O-]	REAL300013796186	0	54	0.0	-75.79	401.10	8.66	-67.13
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CCOCC1	REAL300013796187	0	55	0.0	-66.30	411.20	5.90	-60.40
CC(C)(CCNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013796188	0	53	0.0	-71.47	404.40	6.63	-64.84
CCC(CC)(CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013796189	0	56	0.0	-63.85	412.00	7.59	-56.26
CC(CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013796190	0	47	0.0	-72.41	367.29	5.69	-66.72
CC(C)C(CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013796191	0	53	0.0	-64.42	400.64	7.03	-57.39
CC(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013796192	0	60	0.0	-80.62	443.53	8.63	-71.99
CC(CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013796193	0	57	0.0	-67.93	439.99	9.07	-58.86
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300013796194	0	51	0.0	-71.48	392.53	7.02	-64.46
O=C([O-])CCC1CCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CC1	REAL300013796195	0	57	0.0	-74.85	425.56	9.69	-65.16
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC1CC[NH+](CC3=CC=CC=N3)CC1)C2	REAL300013796196	0	53	0.0	-73.41	403.12	6.39	-67.02
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CCCC1	REAL300013796197	0	54	0.0	-66.18	409.57	7.80	-58.38
CC1CN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CCC1C(=O)[O-]	REAL300013796198	0	54	0.0	-71.77	398.27	8.94	-62.83
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CCC1	REAL300013796199	0	51	0.0	-64.66	391.59	7.10	-57.56
O=C([O-])CC(CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C1CC1	REAL300013796200	0	54	0.0	-77.67	416.23	8.07	-69.60
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CC1	REAL300013796201	0	54	0.0	-75.62	398.35	8.53	-67.09
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)CC(=O)[O-]	REAL300013796202	0	59	0.0	-71.47	437.63	8.17	-63.30
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300013796203	0	51	0.0	-73.97	402.09	8.30	-65.67
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300013796204	0	55	0.0	-76.45	422.83	6.90	-69.55
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300013796205	0	48	0.0	-74.21	375.78	6.64	-67.57
O=C([O-])CN1CCC(NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CC1	REAL300013796206	0	56	0.0	-72.93	424.62	5.37	-67.56
O=C([O-])[C@@H]1CCCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300013796207	0	51	0.0	-63.81	384.78	8.55	-55.26
O=C([O-])[C@H]1CCCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300013796208	0	51	0.0	-76.44	385.66	8.23	-68.21
O=C([O-])C1CC(NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300013796209	0	48	0.0	-71.71	376.58	6.30	-65.41
O=C([O-])[C@H]1C[C@H](NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300013796210	0	48	0.0	-72.49	376.01	6.28	-66.21
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)=CC=C1	REAL300013796211	0	51	0.0	-76.31	408.88	7.84	-68.47
CCC(CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013796212	0	50	0.0	-64.08	385.10	6.52	-57.56
O=C([O-])CCC1CCCCN1C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300013796213	0	57	0.0	-76.88	419.24	9.61	-67.27
O=C([O-])CCCCCCCNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300013796214	0	59	0.0	-75.94	457.11	8.87	-67.07
O=C([O-])CCCCCCNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300013796215	0	56	0.0	-76.27	435.61	8.09	-68.18
CN(CCCC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300013796216	0	50	0.0	-73.89	388.74	8.13	-65.76
CC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300013796217	0	54	0.0	-77.34	400.51	8.97	-68.37
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300013796218	0	58	0.0	-81.33	432.70	8.12	-73.21
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300013796219	0	54	0.0	-62.07	420.43	7.49	-54.58
O=C([O-])CCC1CCCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300013796220	0	57	0.0	-77.33	425.91	9.67	-67.66
O=C([O-])C1CN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CC2=CC=CC=C21	REAL300013796221	0	55	0.0	-74.78	419.04	10.73	-64.05
O=C([O-])C(=O)N1CCN(C(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CC1	REAL300013796222	0	52	0.0	-69.14	398.20	6.99	-62.15
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300013796223	0	54	0.0	-63.65	400.67	9.12	-54.53
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CC1CC[NH+](CC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013796394	0	60	0.0	-74.24	451.92	9.72	-64.52
CCC(CC)(CNC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300013796395	0	63	0.0	-69.55	461.57	10.85	-58.70
CC(CNC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300013796396	0	54	0.0	-77.86	415.68	8.80	-69.06
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300013796397	0	60	0.0	-69.94	448.16	10.13	-59.81
CC1CC[NH+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013796398	0	58	0.0	-71.22	440.00	10.09	-61.13
CC1CC[NH+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300013796399	0	61	0.0	-70.92	457.05	10.90	-60.02
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C(C)C3)C=C2)CC1	REAL300013796400	0	61	0.0	-75.03	445.76	12.05	-62.98
CC1CC[NH+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300013796401	0	58	0.0	-69.02	439.10	10.19	-58.83
CC1CC[NH+](CC2=CC=C(CNC(=O)NCC(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300013796402	0	61	0.0	-79.43	464.14	10.82	-68.61
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)CC1	REAL300013796403	0	61	0.0	-77.41	446.50	11.64	-65.77
CC1CC[NH+](CC2=CC=C(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300013796404	0	58	0.0	-77.65	450.00	11.05	-66.60
CC1CC[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013796405	0	55	0.0	-74.14	423.38	9.35	-64.79
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013796406	0	58	0.0	-64.02	432.22	11.25	-52.77
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013796407	0	58	0.0	-83.05	432.74	11.29	-71.76
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3CC(C(=O)[O-])C3)C=C2)CC1	REAL300013796408	0	55	0.0	-74.18	424.06	9.40	-64.78
CC1CC[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013796409	0	55	0.0	-75.76	423.53	9.46	-66.30
CC1CC[NH+](CC2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300013796410	0	58	0.0	-79.11	456.39	10.93	-68.18
CCC(CNC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300013796411	0	57	0.0	-69.56	432.71	9.72	-59.84
CC1CC[NH+](CC2=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=C2)CC1	REAL300013796412	0	63	0.0	-80.31	483.12	11.18	-69.13
CC1CC[NH+](CC2=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=C2)CC1	REAL300013796413	0	57	0.0	-80.53	436.26	11.25	-69.28
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300013796414	0	61	0.0	-82.25	447.92	12.09	-70.16
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300013796415	0	61	0.0	-63.35	467.95	10.60	-52.75
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CC(C(=O)[O-])CCC3C)C=C2)CC1	REAL300013796416	0	61	0.0	-81.92	448.46	11.89	-70.03
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)C=C2)CC1	REAL300013796417	0	59	0.0	-79.30	442.75	8.90	-70.40
CC1CC[NH+](CC2=CC=C(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)CC1	REAL300013796418	0	56	0.0	-80.87	433.84	9.64	-71.23
CC1CC[NH+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=C2)CC1	REAL300013796419	0	61	0.0	-71.84	454.59	11.07	-60.77
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(CC(=O)[O-])CC3)C=C2)CC1	REAL300013796420	0	61	0.0	-70.59	450.83	12.01	-58.58
CC1CC[NH+](CC2=CC=C(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013796421	0	61	0.0	-75.00	458.45	10.62	-64.38
CC1CC[NH+](CC2=CC=C(CNC(=O)NC3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300013796422	0	61	0.0	-72.17	454.59	11.06	-61.11
CC1CC[NH+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300013796423	0	59	0.0	-69.51	445.77	8.17	-61.34
CC1CC[NH+](CC2=CC=C(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300013796424	0	56	0.0	-74.73	435.20	10.13	-64.60
CC1CC[NH+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CC3)C=C2)CC1	REAL300013796425	0	55	0.0	-67.69	424.23	9.78	-57.91
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)C=C2)CC1	REAL300013796426	0	62	0.0	-69.47	462.10	12.16	-57.31
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300013796427	0	59	0.0	-82.01	441.00	10.57	-71.44
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CC(C(=O)[O-])C3)C=C2)CC1	REAL300013796428	0	52	0.0	-70.16	404.87	9.62	-60.54
CC1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C3)C=C2)CC1	REAL300013796429	0	55	0.0	-77.38	419.71	10.42	-66.96
CC1CC[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300013796430	0	56	0.0	-80.25	434.55	10.09	-70.16
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1	REAL300013796431	0	57	0.0	-72.16	438.39	9.85	-62.31
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300013796432	0	58	0.0	-74.26	422.83	10.96	-63.30
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300013796432	1	58	0.0	-74.14	422.84	10.96	-63.18
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300013796433	0	58	0.0	-75.19	452.16	10.81	-64.38
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300013796433	1	58	0.0	-75.20	452.18	10.81	-64.39
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300013796434	0	56	0.0	-78.68	414.40	9.33	-69.35
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300013796434	1	56	0.0	-79.52	414.50	9.33	-70.19
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300013796435	0	61	0.0	-68.16	449.06	10.88	-57.28
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300013796435	1	61	0.0	-68.81	449.06	10.89	-57.92
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C1	REAL300013796436	0	57	0.0	-76.30	435.91	9.48	-66.82
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C1	REAL300013796436	1	57	0.0	-75.68	435.91	9.49	-66.19
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013796437	0	58	0.0	-76.08	452.18	10.80	-65.28
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013796437	1	58	0.0	-76.13	452.18	10.80	-65.33
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCCC(=O)[O-])C=C1	REAL300013796438	0	51	0.0	-73.45	392.91	7.91	-65.54
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCCC(=O)[O-])C=C1	REAL300013796438	1	51	0.0	-73.42	392.92	7.92	-65.50
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013796439	0	60	0.0	-74.40	457.41	10.26	-64.14
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013796439	1	60	0.0	-74.10	457.41	10.27	-63.83
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013796440	0	57	0.0	-76.18	428.35	9.36	-66.82
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013796440	1	57	0.0	-76.19	428.35	9.37	-66.82
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300013796441	0	58	0.0	-77.20	425.94	10.43	-66.77
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300013796441	1	58	0.0	-74.04	426.09	10.58	-63.46
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(C[N@@H+]3CCCCC3C)C=C2)C1	REAL300013796442	0	61	0.0	-79.01	450.40	11.80	-67.21
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(C[N@H+]3CCCCC3C)C=C2)C1	REAL300013796442	1	61	0.0	-61.35	449.90	11.77	-49.58
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013796443	0	61	0.0	-75.06	434.98	11.18	-63.88
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013796443	1	61	0.0	-74.91	434.95	11.18	-63.73
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013796444	0	54	0.0	-70.46	414.41	8.70	-61.76
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013796444	1	54	0.0	-70.32	414.41	8.71	-61.61
CC1CCN(C(=O)NCC2=CC=C(C[N@@H+]3CCCCC3C)C=C2)CC1C(=O)[O-]	REAL300013796445	0	61	0.0	-59.75	431.94	11.10	-48.65
CC1CCN(C(=O)NCC2=CC=C(C[N@H+]3CCCCC3C)C=C2)CC1C(=O)[O-]	REAL300013796445	1	61	0.0	-79.20	431.94	11.12	-68.08
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013796446	0	60	0.0	-71.15	447.11	9.57	-61.58
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013796446	1	60	0.0	-71.06	447.70	9.60	-61.46
CCC(CC)(CNC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300013796447	0	63	0.0	-68.13	460.00	10.38	-57.75
CCC(CC)(CNC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300013796447	1	63	0.0	-67.44	460.01	10.39	-57.05
CC(CNC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300013796448	0	54	0.0	-74.66	411.46	8.66	-66.00
CC(CNC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300013796448	1	54	0.0	-74.93	410.59	8.64	-66.29
CC(C)C(CNC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300013796449	0	60	0.0	-66.81	443.93	9.99	-56.82
CC(C)C(CNC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300013796449	1	60	0.0	-66.19	443.94	9.99	-56.20
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013796450	0	58	0.0	-68.14	435.90	9.97	-58.17
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013796450	1	58	0.0	-68.13	435.84	9.97	-58.16
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013796451	0	61	0.0	-67.25	452.92	10.74	-56.51
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013796451	1	61	0.0	-67.99	452.93	10.74	-57.25
CC1CN(C(=O)NCC2=CC=C(C[N@@H+]3CCCCC3C)C=C2)CCC1C(=O)[O-]	REAL300013796452	0	61	0.0	-74.84	441.21	11.46	-63.38
CC1CN(C(=O)NCC2=CC=C(C[N@H+]3CCCCC3C)C=C2)CCC1C(=O)[O-]	REAL300013796452	1	61	0.0	-72.85	435.38	11.60	-61.25
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCC2)C=C1	REAL300013796453	0	58	0.0	-64.90	434.61	10.06	-54.84
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCC2)C=C1	REAL300013796453	1	58	0.0	-66.03	434.90	10.05	-55.98
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300013796454	0	61	0.0	-71.04	452.12	11.35	-59.69
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300013796454	1	61	0.0	-71.10	452.12	11.35	-59.75
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013796455	0	61	0.0	-75.06	434.98	11.18	-63.88
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013796455	1	61	0.0	-74.91	434.95	11.18	-63.73
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013796456	0	58	0.0	-74.21	445.80	10.91	-63.30
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013796456	1	58	0.0	-74.57	445.79	10.91	-63.66
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013796457	0	55	0.0	-71.52	413.12	8.96	-62.56
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013796457	1	55	0.0	-71.47	413.10	8.96	-62.51
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013796458	0	58	0.0	-78.37	428.39	11.17	-67.20
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013796458	1	58	0.0	-62.00	422.31	10.89	-51.11
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300013796459	0	58	0.0	-78.31	428.86	11.20	-67.11
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300013796459	1	58	0.0	-62.35	422.14	10.88	-51.47
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300013796460	0	55	0.0	-73.12	412.61	9.01	-64.11
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300013796460	1	55	0.0	-73.33	412.60	9.01	-64.32
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300013796461	0	55	0.0	-73.09	412.60	9.01	-64.08
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300013796461	1	55	0.0	-72.59	419.35	9.32	-63.27
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013796462	0	58	0.0	-76.08	452.18	10.80	-65.28
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013796462	1	58	0.0	-76.13	452.18	10.80	-65.33
CCC(CNC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300013796463	0	57	0.0	-66.53	428.44	9.58	-56.95
CCC(CNC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300013796463	1	57	0.0	-65.38	428.40	9.47	-55.91
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=C1	REAL300013796464	0	63	0.0	-77.72	478.91	11.05	-66.67
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=C1	REAL300013796464	1	63	0.0	-77.08	478.91	11.06	-66.02
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=C1	REAL300013796465	0	57	0.0	-77.72	432.04	11.11	-66.61
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=C1	REAL300013796465	1	57	0.0	-77.08	432.04	11.12	-65.96
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300013796466	0	61	0.0	-79.51	436.95	11.63	-67.88
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300013796466	1	61	0.0	-79.44	437.00	11.66	-67.78
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300013796467	0	61	0.0	-60.47	463.72	10.46	-50.01
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300013796467	1	61	0.0	-58.61	463.73	10.46	-48.15
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300013796468	0	61	0.0	-60.88	444.04	11.78	-49.10
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300013796468	1	61	0.0	-59.67	444.27	11.75	-47.92
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300013796469	0	59	0.0	-76.95	431.67	8.43	-68.52
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300013796469	1	59	0.0	-76.91	431.77	8.44	-68.47
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300013796470	0	56	0.0	-78.18	422.84	9.19	-68.99
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300013796470	1	56	0.0	-78.28	422.96	9.20	-69.08
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300013796471	0	61	0.0	-68.56	449.09	10.89	-57.67
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300013796471	1	61	0.0	-68.79	449.06	10.89	-57.90
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300013796472	0	61	0.0	-68.03	439.83	11.56	-56.47
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300013796472	1	61	0.0	-68.00	439.84	11.56	-56.44
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013796473	0	61	0.0	-71.76	454.27	10.50	-61.26
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013796473	1	61	0.0	-71.81	454.28	10.49	-61.32
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C=C1	REAL300013796474	0	61	0.0	-68.73	449.85	10.91	-57.82
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C=C1	REAL300013796474	1	61	0.0	-69.09	450.38	10.92	-58.17
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300013796475	0	59	0.0	-65.21	441.43	8.02	-57.19
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300013796475	1	59	0.0	-66.00	441.43	8.02	-57.98
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013796476	0	56	0.0	-72.12	424.65	9.69	-62.43
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013796476	1	56	0.0	-71.63	431.33	9.99	-61.64
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013796477	0	55	0.0	-63.48	420.07	9.64	-53.84
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013796477	1	55	0.0	-64.56	420.08	9.64	-54.92
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1	REAL300013796478	0	62	0.0	-64.69	447.81	11.59	-53.10
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1	REAL300013796478	1	62	0.0	-66.97	451.16	11.71	-55.26
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300013796479	0	59	0.0	-79.36	429.90	10.11	-69.25
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300013796479	1	59	0.0	-79.39	429.93	10.11	-69.28
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C2)C=C1	REAL300013796480	0	52	0.0	-67.59	393.87	9.17	-58.42
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C2)C=C1	REAL300013796480	1	52	0.0	-68.02	393.36	9.17	-58.85
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300013796481	0	55	0.0	-74.69	408.72	9.98	-64.71
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300013796481	1	55	0.0	-74.68	408.79	9.96	-64.72
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013796482	0	56	0.0	-77.43	423.59	9.70	-67.73
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013796482	1	56	0.0	-76.82	430.30	10.02	-66.80
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1	REAL300013796483	0	57	0.0	-69.07	434.17	9.72	-59.35
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1	REAL300013796483	1	57	0.0	-68.95	434.17	9.72	-59.23
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013796484	0	58	0.0	-68.21	416.64	11.20	-57.01
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013796484	1	58	0.0	-66.45	419.55	12.18	-54.27
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013796485	0	58	0.0	-69.53	439.14	10.76	-58.77
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013796485	1	58	0.0	-69.20	442.17	11.64	-57.56
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013796486	0	56	0.0	-68.11	408.10	9.57	-58.54
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013796486	1	56	0.0	-69.20	411.93	10.55	-58.65
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013796487	0	61	0.0	-56.45	437.36	10.88	-45.57
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013796487	1	61	0.0	-62.51	439.18	11.67	-50.84
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCCCCC(=O)[O-]	REAL300013796488	0	57	0.0	-66.89	422.88	9.42	-57.47
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCCCCC(=O)[O-]	REAL300013796488	1	57	0.0	-67.14	426.03	10.30	-56.84
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013796489	0	58	0.0	-64.21	439.16	10.74	-53.47
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013796489	1	58	0.0	-63.04	442.40	11.61	-51.43
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCCC(=O)[O-]	REAL300013796490	0	51	0.0	-62.57	379.90	7.85	-54.72
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCCC(=O)[O-]	REAL300013796490	1	51	0.0	-62.74	383.03	8.72	-54.02
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013796491	0	60	0.0	-66.38	444.38	10.20	-56.18
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013796491	1	60	0.0	-66.08	447.52	11.08	-55.00
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013796492	0	57	0.0	-65.37	415.32	9.35	-56.02
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013796492	1	57	0.0	-66.33	418.01	10.19	-56.14
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013796493	0	58	0.0	-68.45	419.75	10.68	-57.77
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013796493	1	58	0.0	-68.27	421.43	11.44	-56.83
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCCCC2C)C1	REAL300013796494	0	61	0.0	-73.27	442.19	11.77	-61.50
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC=C2C[N@H+]2CCCCC2C)C1	REAL300013796494	1	61	0.0	-53.51	431.61	11.94	-41.57
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013796495	0	61	0.0	-67.79	428.55	11.37	-56.42
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013796495	1	61	0.0	-72.53	433.34	11.41	-61.12
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013796496	0	54	0.0	-61.58	401.39	8.64	-52.94
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013796496	1	54	0.0	-60.92	404.53	9.52	-51.40
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCCCC2C)CC1C(=O)[O-]	REAL300013796497	0	61	0.0	-55.22	431.56	11.41	-43.81
CC1CCN(C(=O)NCC2=CC=CC=C2C[N@H+]2CCCCC2C)CC1C(=O)[O-]	REAL300013796497	1	61	0.0	-67.18	431.24	11.55	-55.63
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013796498	0	60	0.0	-62.88	434.10	9.52	-53.36
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013796498	1	60	0.0	-61.99	437.81	10.40	-51.59
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300013796499	0	63	0.0	-50.19	450.28	11.20	-38.99
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300013796499	1	63	0.0	-48.64	442.27	10.49	-38.15
CC(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300013796500	0	54	0.0	-64.72	400.82	9.46	-55.26
CC(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300013796500	1	54	0.0	-65.07	404.35	8.90	-56.17
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300013796501	0	60	0.0	-58.98	440.17	10.67	-48.31
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300013796501	1	60	0.0	-56.20	431.03	9.87	-46.33
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013796502	0	58	0.0	-62.94	429.51	10.24	-52.70
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013796502	1	58	0.0	-61.86	425.96	10.82	-51.04
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013796503	0	61	0.0	-60.35	446.69	10.99	-49.36
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013796503	1	61	0.0	-58.88	443.14	11.55	-47.33
CC1CN(C(=O)NCC2=CC=CC=C2C[N@@H+]2CCCCC2C)CCC1C(=O)[O-]	REAL300013796504	0	61	0.0	-60.81	433.32	11.90	-48.91
CC1CN(C(=O)NCC2=CC=CC=C2C[N@H+]2CCCCC2C)CCC1C(=O)[O-]	REAL300013796504	1	61	0.0	-60.07	428.54	11.86	-48.21
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013796505	0	58	0.0	-48.30	420.23	10.08	-38.22
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013796505	1	58	0.0	-55.58	424.73	10.88	-44.70
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013796506	0	61	0.0	-64.92	439.54	11.22	-53.70
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013796506	1	61	0.0	-62.94	450.99	11.61	-51.33
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013796507	0	61	0.0	-67.79	428.55	11.37	-56.42
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013796507	1	61	0.0	-72.53	433.34	11.41	-61.12
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013796508	0	58	0.0	-65.76	432.76	10.86	-54.90
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013796508	1	58	0.0	-65.48	435.90	11.72	-53.76
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013796509	0	55	0.0	-60.57	406.57	9.20	-51.37
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013796509	1	55	0.0	-61.97	404.09	9.90	-52.07
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013796510	0	58	0.0	-54.25	416.05	11.12	-43.13
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013796510	1	58	0.0	-55.23	414.19	10.90	-44.33
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013796511	0	58	0.0	-68.04	415.95	11.13	-56.91
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013796511	1	58	0.0	-51.74	414.02	10.83	-40.91
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1CC(C(=O)[O-])C1	REAL300013796512	0	55	0.0	-63.67	406.83	9.21	-54.46
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1CC(C(=O)[O-])C1	REAL300013796512	1	55	0.0	-62.91	409.95	10.09	-52.82
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013796513	0	55	0.0	-62.82	406.72	9.24	-53.58
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013796513	1	55	0.0	-64.27	403.53	9.96	-54.31
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013796514	0	58	0.0	-64.21	439.16	10.74	-53.47
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013796514	1	58	0.0	-63.04	442.40	11.61	-51.43
CCC(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300013796515	0	57	0.0	-56.75	418.16	10.37	-46.38
CCC(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300013796515	1	57	0.0	-52.06	420.39	9.31	-42.75
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013796516	0	63	0.0	-69.15	465.88	10.99	-58.16
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013796516	1	63	0.0	-69.55	469.02	11.86	-57.69
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N(C)CCCC(=O)[O-]	REAL300013796517	0	57	0.0	-69.13	419.02	11.04	-58.09
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N(C)CCCC(=O)[O-]	REAL300013796517	1	57	0.0	-64.02	420.42	11.89	-52.13
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013796518	0	61	0.0	-69.33	430.86	11.85	-57.48
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013796518	1	61	0.0	-68.88	433.54	12.84	-56.04
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300013796519	0	61	0.0	-51.70	447.82	11.47	-40.23
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300013796519	1	61	0.0	-47.29	451.70	10.27	-37.02
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300013796520	0	61	0.0	-50.82	437.10	11.80	-39.02
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300013796520	1	61	0.0	-52.32	429.88	11.67	-40.65
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013796521	0	59	0.0	-66.39	425.45	8.69	-57.70
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013796521	1	59	0.0	-68.50	430.19	8.73	-59.77
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013796522	0	56	0.0	-68.37	416.64	9.42	-58.95
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013796522	1	56	0.0	-69.39	419.63	10.32	-59.07
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013796523	0	61	0.0	-56.50	437.42	10.86	-45.64
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013796523	1	61	0.0	-57.51	435.54	10.63	-46.88
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013796524	0	61	0.0	-61.04	433.63	11.81	-49.23
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013796524	1	61	0.0	-58.76	436.55	12.79	-45.97
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013796525	0	61	0.0	-66.24	448.49	10.75	-55.49
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013796525	1	61	0.0	-65.44	444.86	11.31	-54.13
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013796526	0	61	0.0	-59.16	436.83	10.85	-48.31
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013796526	1	61	0.0	-60.25	443.61	11.26	-48.99
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013796527	0	59	0.0	-59.65	431.06	8.15	-51.50
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013796527	1	59	0.0	-53.64	431.47	8.84	-44.80
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013796528	0	56	0.0	-64.52	418.28	9.92	-54.60
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013796528	1	56	0.0	-64.13	421.47	10.81	-53.32
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CC1	REAL300013796529	0	55	0.0	-54.73	407.08	9.58	-45.15
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CC1	REAL300013796529	1	55	0.0	-53.44	410.19	10.46	-42.98
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013796530	0	62	0.0	-56.03	441.55	11.83	-44.20
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013796530	1	62	0.0	-55.17	447.55	12.81	-42.36
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013796531	0	59	0.0	-69.42	423.74	10.36	-59.06
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013796531	1	59	0.0	-73.67	428.44	10.41	-63.26
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C1	REAL300013796532	0	52	0.0	-58.08	387.12	9.42	-48.66
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C1	REAL300013796532	1	52	0.0	-55.39	390.68	10.31	-45.08
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])C1	REAL300013796533	0	55	0.0	-64.15	402.16	10.22	-53.93
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])C1	REAL300013796533	1	55	0.0	-64.99	403.22	11.02	-53.97
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013796534	0	56	0.0	-67.93	424.31	10.24	-57.69
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013796534	1	56	0.0	-68.26	420.51	10.81	-57.45
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C	REAL300013796535	0	57	0.0	-58.13	422.80	10.45	-47.68
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C	REAL300013796535	1	57	0.0	-56.82	421.14	9.66	-47.16
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC(C)O1	REAL300013796536	0	59	0.0	-78.03	444.68	9.72	-68.31
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCOC(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300013796537	0	57	0.0	-84.61	437.79	8.19	-76.42
CC1C[NH+](CC2=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C2)CC(C)O1	REAL300013796538	0	58	0.0	-80.91	452.56	8.03	-72.88
CC1C[NH+](CC2=CC=C(CNC(=O)NCCC(=O)[O-])C=C2)CC(C)O1	REAL300013796539	0	52	0.0	-78.59	409.56	6.45	-72.14
CC1C[NH+](CC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)CC(C)O1	REAL300013796540	0	61	0.0	-79.33	474.06	8.81	-70.52
CC1C[NH+](CC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC(C)O1	REAL300013796541	0	58	0.0	-81.39	445.00	7.91	-73.48
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300013796542	0	59	0.0	-85.78	449.02	9.37	-76.41
CC1C[NH+](CC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)CC(C)O1	REAL300013796543	0	55	0.0	-75.58	431.06	7.25	-68.33
CC1C[NH+](CC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC(C)O1	REAL300013796544	0	61	0.0	-76.20	464.34	8.13	-68.07
CC(CNC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300013796545	0	55	0.0	-79.83	428.10	7.21	-72.62
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300013796546	0	61	0.0	-73.62	466.84	8.39	-65.23
CC1C[NH+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC(C)O1	REAL300013796547	0	59	0.0	-73.11	452.89	8.57	-64.54
CC1C[NH+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCC3)C=C2)CC(C)O1	REAL300013796548	0	59	0.0	-70.62	452.44	8.45	-62.17
CC1C[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC(C)O1	REAL300013796549	0	56	0.0	-76.21	436.52	7.81	-68.40
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)CC(C)O1	REAL300013796550	0	59	0.0	-65.12	438.69	9.75	-55.37
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)CC(C)O1	REAL300013796551	0	59	0.0	-84.59	439.25	9.78	-74.81
CC1C[NH+](CC2=CC=C(CNC(=O)NC3CC(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300013796552	0	56	0.0	-75.95	436.14	7.81	-68.14
CC1C[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC(C)O1	REAL300013796553	0	56	0.0	-77.75	436.07	7.86	-69.89
CCC(CNC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300013796554	0	58	0.0	-71.52	445.13	8.14	-63.38
CC1C[NH+](CC2=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=C2)CC(C)O1	REAL300013796555	0	58	0.0	-82.21	448.69	9.66	-72.55
CC1C[NH+](CC2=CC=C(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)CC(C)O1	REAL300013796556	0	57	0.0	-82.82	446.27	8.03	-74.79
CC1C[NH+](CC2=CC=C(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC(C)O1	REAL300013796557	0	57	0.0	-76.29	441.38	8.57	-67.72
CC1C[NH+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CC3)C=C2)CC(C)O1	REAL300013796558	0	56	0.0	-69.51	436.70	8.18	-61.33
CC1C[NH+](CC2=CC=C(CNC(=O)N3CC(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300013796559	0	53	0.0	-72.32	417.27	8.03	-64.29
CC1C[NH+](CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300013796560	0	56	0.0	-79.34	432.19	8.83	-70.51
CC1C[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC(C)O1	REAL300013796561	0	57	0.0	-82.09	447.29	8.55	-73.54
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300013796562	0	58	0.0	-74.17	450.81	8.26	-65.91
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])CC3)C=C2)C1	REAL300013796563	0	58	0.0	-76.04	433.85	11.38	-64.66
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])CC3)C=C2)C1	REAL300013796563	1	58	0.0	-76.09	433.79	11.38	-64.71
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC3=CC=C(C(=O)[O-])C=C3)C=C2)C1	REAL300013796564	0	58	0.0	-77.65	456.40	10.93	-66.72
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC3=CC=C(C(=O)[O-])C=C3)C=C2)C1	REAL300013796564	1	58	0.0	-77.63	456.35	10.92	-66.71
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCOC(C(=O)[O-])C3)C=C2)C1	REAL300013796565	0	56	0.0	-80.64	425.42	9.76	-70.88
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCOC(C(=O)[O-])C3)C=C2)C1	REAL300013796565	1	56	0.0	-65.69	425.27	9.74	-55.95
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3CCC(C(=O)[O-])CC3)C=C2)C1	REAL300013796566	0	61	0.0	-71.03	453.28	11.00	-60.03
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3CCC(C(=O)[O-])CC3)C=C2)C1	REAL300013796566	1	61	0.0	-71.07	453.23	11.00	-60.07
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C2)C1	REAL300013796567	0	57	0.0	-78.21	440.14	9.60	-68.61
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C2)C1	REAL300013796567	1	57	0.0	-78.22	440.09	9.59	-68.63
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)C1	REAL300013796568	0	58	0.0	-78.45	456.41	10.92	-67.53
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)C1	REAL300013796568	1	58	0.0	-78.53	456.35	10.91	-67.62
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCCC(=O)[O-])C=C2)C1	REAL300013796569	0	51	0.0	-75.91	397.14	8.03	-67.88
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCCC(=O)[O-])C=C2)C1	REAL300013796569	1	51	0.0	-75.91	397.09	8.02	-67.89
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)C1	REAL300013796570	0	60	0.0	-76.60	461.64	10.39	-66.21
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)C1	REAL300013796570	1	60	0.0	-76.64	461.58	10.37	-66.27
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)C1	REAL300013796571	0	57	0.0	-78.80	432.58	9.48	-69.32
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)C1	REAL300013796571	1	57	0.0	-78.72	432.52	9.48	-69.24
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)C1	REAL300013796572	0	58	0.0	-75.55	430.27	11.01	-64.54
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)C1	REAL300013796572	1	58	0.0	-78.71	430.16	10.87	-67.84
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CC(C)CC(C(=O)[O-])C3)C=C2)C1	REAL300013796573	0	61	0.0	-81.48	454.63	11.91	-69.57
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CC(C)CC(C(=O)[O-])C3)C=C2)C1	REAL300013796573	1	61	0.0	-81.53	454.57	11.91	-69.62
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)C1	REAL300013796574	0	61	0.0	-76.81	445.96	11.59	-65.22
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)C1	REAL300013796574	1	61	0.0	-76.95	445.90	11.59	-65.36
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)C1	REAL300013796575	0	54	0.0	-72.91	418.64	8.82	-64.09
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)C1	REAL300013796575	1	54	0.0	-72.88	418.59	8.81	-64.07
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC(C)C(C(=O)[O-])C3)C=C2)C1	REAL300013796576	0	61	0.0	-63.20	442.84	11.54	-51.66
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC(C)C(C(=O)[O-])C3)C=C2)C1	REAL300013796576	1	61	0.0	-82.57	445.30	11.59	-70.98
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)C1	REAL300013796577	0	60	0.0	-73.61	451.34	9.69	-63.92
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)C1	REAL300013796577	1	60	0.0	-73.54	451.87	9.70	-63.84
CCC(CC)(CNC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300013796578	0	63	0.0	-70.49	464.18	10.51	-59.98
CCC(CC)(CNC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300013796578	1	63	0.0	-68.83	461.57	10.84	-57.99
CC(CNC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300013796579	0	54	0.0	-76.81	414.76	8.76	-68.05
CC(CNC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300013796579	1	54	0.0	-77.17	415.69	8.79	-68.38
CC(C)C(CNC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300013796580	0	60	0.0	-69.28	448.11	10.10	-59.18
CC(C)C(CNC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300013796580	1	60	0.0	-71.01	454.42	9.98	-61.03
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013796581	0	58	0.0	-70.15	433.27	10.09	-60.06
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013796581	1	58	0.0	-70.20	433.26	10.09	-60.11
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=C2)C1	REAL300013796582	0	61	0.0	-70.25	457.09	10.85	-59.40
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=C2)C1	REAL300013796582	1	61	0.0	-69.23	454.99	10.92	-58.31
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C(C)C3)C=C2)C1	REAL300013796583	0	61	0.0	-76.49	452.12	11.87	-64.62
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C(C)C3)C=C2)C1	REAL300013796583	1	61	0.0	-74.77	446.39	12.07	-62.70
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCC3)C=C2)C1	REAL300013796584	0	58	0.0	-68.10	438.84	10.18	-57.92
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCC3)C=C2)C1	REAL300013796584	1	58	0.0	-68.44	439.06	10.16	-58.28
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC(CC(=O)[O-])C3CC3)C=C2)C1	REAL300013796585	0	61	0.0	-73.63	456.34	11.46	-62.17
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC(CC(=O)[O-])C3CC3)C=C2)C1	REAL300013796585	1	61	0.0	-73.57	456.29	11.46	-62.11
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)C1	REAL300013796586	0	61	0.0	-76.81	445.96	11.59	-65.22
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)C1	REAL300013796586	1	61	0.0	-76.95	445.90	11.59	-65.36
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])C=C2)C1	REAL300013796587	0	58	0.0	-76.85	450.01	11.04	-65.81
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])C=C2)C1	REAL300013796587	1	58	0.0	-76.95	449.97	11.02	-65.93
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013796588	0	55	0.0	-73.36	423.66	9.38	-63.98
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013796588	1	55	0.0	-73.33	423.71	9.38	-63.95
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013796589	0	58	0.0	-63.83	433.23	11.31	-52.52
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013796589	1	58	0.0	-63.80	433.23	11.32	-52.48
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)C1	REAL300013796590	0	58	0.0	-81.09	433.08	11.32	-69.77
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)C1	REAL300013796590	1	58	0.0	-80.76	426.36	11.33	-69.43
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3CC(C(=O)[O-])C3)C=C2)C1	REAL300013796591	0	55	0.0	-74.97	423.59	9.43	-65.54
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3CC(C(=O)[O-])C3)C=C2)C1	REAL300013796591	1	55	0.0	-75.00	423.53	9.43	-65.57
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)C1	REAL300013796592	0	55	0.0	-74.98	423.53	9.43	-65.55
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)C1	REAL300013796592	1	55	0.0	-74.94	423.87	9.42	-65.52
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)C1	REAL300013796593	0	58	0.0	-78.45	456.41	10.92	-67.53
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)C1	REAL300013796593	1	58	0.0	-78.53	456.35	10.91	-67.62
CCC(CNC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300013796594	0	57	0.0	-70.50	437.58	9.48	-61.02
CCC(CNC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300013796594	1	57	0.0	-70.47	437.64	9.49	-60.98
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=C2)C1	REAL300013796595	0	63	0.0	-79.56	483.13	11.17	-68.39
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=C2)C1	REAL300013796595	1	63	0.0	-79.59	483.08	11.16	-68.43
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=C2)C1	REAL300013796596	0	57	0.0	-79.70	436.27	11.22	-68.48
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=C2)C1	REAL300013796596	1	57	0.0	-79.66	436.21	11.23	-68.43
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2)C1	REAL300013796597	0	61	0.0	-81.44	447.95	12.06	-69.38
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2)C1	REAL300013796597	1	61	0.0	-81.47	447.91	12.06	-69.41
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300013796598	0	61	0.0	-62.75	467.90	10.57	-52.18
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300013796598	1	61	0.0	-62.73	467.96	10.57	-52.16
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CC(C(=O)[O-])CCC3C)C=C2)C1	REAL300013796599	0	61	0.0	-63.26	448.28	11.90	-51.36
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CC(C(=O)[O-])CCC3C)C=C2)C1	REAL300013796599	1	61	0.0	-63.28	449.24	11.90	-51.38
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)C=C2)C1	REAL300013796600	0	59	0.0	-78.59	442.65	8.87	-69.72
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)C=C2)C1	REAL300013796600	1	59	0.0	-78.59	442.71	8.88	-69.71
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)C1	REAL300013796601	0	56	0.0	-80.08	433.80	9.61	-70.47
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)C1	REAL300013796601	1	56	0.0	-80.10	433.80	9.61	-70.49
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=C2)C1	REAL300013796602	0	61	0.0	-70.67	453.23	11.00	-59.67
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=C2)C1	REAL300013796602	1	61	0.0	-71.12	454.56	11.04	-60.08
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC(CC(=O)[O-])CC3)C=C2)C1	REAL300013796603	0	61	0.0	-69.85	450.85	11.99	-57.86
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC(CC(=O)[O-])CC3)C=C2)C1	REAL300013796603	1	61	0.0	-69.89	450.79	11.99	-57.90
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013796604	0	61	0.0	-73.79	451.72	10.61	-63.18
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013796604	1	61	0.0	-74.19	452.25	10.63	-63.56
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NC3CCCC(C(=O)[O-])C3)C=C2)C1	REAL300013796605	0	61	0.0	-71.56	454.55	11.03	-60.53
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NC3CCCC(C(=O)[O-])C3)C=C2)C1	REAL300013796605	1	61	0.0	-71.52	454.55	11.03	-60.49
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCOC3)C=C2)C1	REAL300013796606	0	59	0.0	-68.55	445.60	8.13	-60.42
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCOC3)C=C2)C1	REAL300013796606	1	59	0.0	-65.66	445.00	8.29	-57.37
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)C1	REAL300013796607	0	56	0.0	-73.94	435.50	10.10	-63.84
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)C1	REAL300013796607	1	56	0.0	-73.97	435.51	10.10	-63.87
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CC3)C=C2)C1	REAL300013796608	0	55	0.0	-66.94	424.25	9.76	-57.18
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CC3)C=C2)C1	REAL300013796608	1	55	0.0	-66.94	424.24	9.75	-57.19
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)C=C2)C1	REAL300013796609	0	62	0.0	-66.54	458.72	12.01	-54.53
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)C=C2)C1	REAL300013796609	1	62	0.0	-68.71	462.07	12.14	-56.57
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)C1	REAL300013796610	0	59	0.0	-81.22	440.93	10.54	-70.68
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)C1	REAL300013796610	1	59	0.0	-81.24	440.93	10.54	-70.70
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CC(C(=O)[O-])C3)C=C2)C1	REAL300013796611	0	52	0.0	-69.46	397.54	9.61	-59.85
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CC(C(=O)[O-])C3)C=C2)C1	REAL300013796611	1	52	0.0	-69.53	397.53	9.61	-59.92
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C3)C=C2)C1	REAL300013796612	0	55	0.0	-76.59	419.75	10.39	-66.20
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C3)C=C2)C1	REAL300013796612	1	55	0.0	-76.60	419.63	10.39	-66.21
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)C1	REAL300013796613	0	56	0.0	-79.06	427.73	10.13	-68.93
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)C1	REAL300013796613	1	56	0.0	-79.00	427.71	10.13	-68.87
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1	REAL300013796614	0	57	0.0	-71.39	438.34	9.83	-61.56
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1	REAL300013796614	1	57	0.0	-71.44	438.40	9.83	-61.61
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013796615	0	58	0.0	-70.40	427.53	11.61	-58.79
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013796615	1	58	0.0	-72.75	418.79	11.39	-61.36
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013796616	0	58	0.0	-71.53	450.08	11.15	-60.38
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013796616	1	58	0.0	-70.90	447.27	11.85	-59.05
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013796617	0	56	0.0	-58.12	419.13	9.96	-48.16
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013796617	1	56	0.0	-73.27	410.28	9.76	-63.51
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013796618	0	61	0.0	-65.25	446.92	11.24	-54.01
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013796618	1	61	0.0	-63.88	444.17	11.92	-51.96
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCCCCC(=O)[O-])C1	REAL300013796619	0	57	0.0	-68.97	433.82	9.83	-59.14
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCCCCC(=O)[O-])C1	REAL300013796619	1	57	0.0	-68.50	431.02	10.51	-57.99
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013796620	0	58	0.0	-66.03	450.03	11.15	-54.88
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013796620	1	58	0.0	-65.66	447.28	11.84	-53.82
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCCC(=O)[O-])C1	REAL300013796621	0	51	0.0	-64.66	390.77	8.26	-56.40
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCCC(=O)[O-])C1	REAL300013796621	1	51	0.0	-63.91	388.02	8.94	-54.97
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013796622	0	60	0.0	-68.39	455.26	10.62	-57.77
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013796622	1	60	0.0	-67.64	452.52	11.30	-56.34
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013796623	0	57	0.0	-67.78	425.68	9.72	-58.06
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013796623	1	57	0.0	-67.46	422.89	10.39	-57.07
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013796624	0	58	0.0	-68.42	433.19	11.10	-57.32
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013796624	1	58	0.0	-71.08	424.37	10.79	-60.29
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300013796625	0	61	0.0	-55.30	442.48	12.36	-42.94
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300013796625	1	61	0.0	-52.65	439.73	13.14	-39.51
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013796626	0	61	0.0	-71.41	439.45	11.80	-59.61
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013796626	1	61	0.0	-72.37	430.67	11.54	-60.83
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])C1	REAL300013796627	0	54	0.0	-63.56	412.27	9.05	-54.51
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])C1	REAL300013796627	1	54	0.0	-62.41	409.53	9.73	-52.68
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013796628	0	61	0.0	-56.14	437.67	11.78	-44.36
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013796628	1	61	0.0	-55.04	433.30	11.73	-43.31
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013796629	0	60	0.0	-64.87	444.97	9.93	-54.94
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013796629	1	60	0.0	-63.51	442.80	10.62	-52.89
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013796630	0	63	0.0	-58.45	453.01	11.75	-46.70
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013796630	1	63	0.0	-61.80	457.86	10.74	-51.06
CC(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013796631	0	54	0.0	-64.97	406.58	9.70	-55.27
CC(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013796631	1	54	0.0	-65.57	409.37	9.01	-56.56
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013796632	0	60	0.0	-59.90	445.32	10.89	-49.01
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013796632	1	60	0.0	-58.22	441.91	10.28	-47.94
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013796633	0	58	0.0	-64.42	433.68	10.34	-54.08
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013796633	1	58	0.0	-65.76	425.02	10.13	-55.63
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013796634	0	61	0.0	-51.73	447.74	11.32	-40.41
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013796634	1	61	0.0	-59.54	448.00	11.78	-47.76
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013796635	0	61	0.0	-60.62	439.41	12.26	-48.36
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013796635	1	61	0.0	-61.60	432.51	12.11	-49.49
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013796636	0	58	0.0	-58.62	432.47	10.41	-48.21
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013796636	1	58	0.0	-56.43	429.67	11.10	-45.33
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013796637	0	61	0.0	-66.95	450.41	11.63	-55.32
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013796637	1	61	0.0	-64.19	455.22	11.71	-52.48
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013796638	0	61	0.0	-71.41	439.45	11.80	-59.61
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013796638	1	61	0.0	-72.37	430.67	11.54	-60.83
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013796639	0	58	0.0	-67.87	443.63	11.27	-56.60
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013796639	1	58	0.0	-66.02	440.84	11.96	-54.06
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013796640	0	55	0.0	-65.43	411.02	9.64	-55.79
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013796640	1	55	0.0	-63.92	409.17	9.30	-54.62
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013796641	0	58	0.0	-55.78	420.22	11.57	-44.21
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013796641	1	58	0.0	-55.39	418.24	11.32	-44.07
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013796642	0	58	0.0	-70.05	420.03	11.57	-58.48
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013796642	1	58	0.0	-73.35	417.92	11.31	-62.04
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013796643	0	55	0.0	-65.70	417.75	9.61	-56.09
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013796643	1	55	0.0	-64.38	414.97	10.30	-54.08
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013796644	0	55	0.0	-64.58	417.66	9.66	-54.92
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013796644	1	55	0.0	-64.54	414.77	10.35	-54.19
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013796645	0	58	0.0	-66.03	450.03	11.15	-54.88
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013796645	1	58	0.0	-65.66	447.28	11.84	-53.82
CCC(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013796646	0	57	0.0	-58.59	422.83	10.49	-48.10
CCC(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013796646	1	57	0.0	-51.33	426.30	9.94	-41.39
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013796647	0	63	0.0	-71.28	476.76	11.40	-59.88
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013796647	1	63	0.0	-70.97	474.01	12.08	-58.89
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N(C)CCCC(=O)[O-])C1	REAL300013796648	0	57	0.0	-63.46	429.90	11.47	-51.99
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N(C)CCCC(=O)[O-])C1	REAL300013796648	1	57	0.0	-63.52	425.43	12.10	-51.42
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013796649	0	61	0.0	-70.66	435.30	12.28	-58.38
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013796649	1	61	0.0	-74.90	433.53	11.93	-62.97
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300013796650	0	61	0.0	-49.59	460.11	10.83	-38.76
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300013796650	1	61	0.0	-48.59	462.57	10.69	-37.90
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013796651	0	61	0.0	-55.45	442.21	12.09	-43.36
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013796651	1	61	0.0	-53.61	437.84	12.70	-40.91
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013796652	0	59	0.0	-65.62	436.44	9.10	-56.52
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013796652	1	59	0.0	-69.17	427.61	8.85	-60.32
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013796653	0	56	0.0	-70.59	427.54	9.84	-60.75
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013796653	1	56	0.0	-71.45	414.05	10.77	-60.68
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013796654	0	61	0.0	-57.60	441.52	11.31	-46.29
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013796654	1	61	0.0	-63.80	444.18	11.92	-51.88
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013796655	0	61	0.0	-62.90	444.52	12.22	-50.68
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013796655	1	61	0.0	-64.21	435.78	12.00	-52.21
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013796656	0	61	0.0	-67.50	445.95	10.88	-56.62
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013796656	1	61	0.0	-66.83	449.92	11.52	-55.31
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013796657	0	61	0.0	-67.52	452.13	10.84	-56.68
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013796657	1	61	0.0	-62.19	448.59	11.49	-50.70
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013796658	0	59	0.0	-56.34	440.04	8.42	-47.92
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013796658	1	59	0.0	-54.64	436.19	9.06	-45.58
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013796659	0	56	0.0	-67.06	429.24	10.34	-56.72
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013796659	1	56	0.0	-66.60	415.63	11.24	-55.36
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013796660	0	55	0.0	-56.60	417.97	9.99	-46.61
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013796660	1	55	0.0	-54.34	415.12	10.68	-43.66
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013796661	0	62	0.0	-58.50	455.81	12.36	-46.14
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013796661	1	62	0.0	-58.68	444.18	11.92	-46.76
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013796662	0	59	0.0	-71.40	427.91	10.80	-60.60
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013796662	1	59	0.0	-74.75	426.30	10.45	-64.30
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])C2)C1	REAL300013796663	0	52	0.0	-59.96	398.02	9.83	-50.13
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])C2)C1	REAL300013796663	1	52	0.0	-61.71	389.69	9.52	-52.19
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013796664	0	55	0.0	-66.30	413.11	10.62	-55.68
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013796664	1	55	0.0	-67.97	404.79	10.29	-57.68
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013796665	0	56	0.0	-69.34	428.42	10.36	-58.98
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013796665	1	56	0.0	-71.80	419.78	10.14	-61.66
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1	REAL300013796666	0	57	0.0	-60.67	427.03	10.55	-50.12
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1	REAL300013796666	1	57	0.0	-58.61	432.08	10.06	-48.55
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013796667	0	54	0.0	-67.99	397.96	10.25	-57.74
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013796667	1	54	0.0	-64.10	395.92	9.99	-54.11
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013796668	0	54	0.0	-71.38	422.04	9.88	-61.50
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013796668	1	54	0.0	-70.02	418.49	10.44	-59.58
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013796669	0	52	0.0	-58.75	391.17	8.69	-50.06
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013796669	1	52	0.0	-60.28	390.41	8.49	-51.79
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013796670	0	57	0.0	-71.59	424.67	9.56	-62.03
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013796670	1	57	0.0	-63.33	414.58	10.43	-52.90
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCCCCC(=O)[O-]	REAL300013796671	0	53	0.0	-68.81	405.78	8.54	-60.27
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCCCCC(=O)[O-]	REAL300013796671	1	53	0.0	-68.64	401.43	9.05	-59.59
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013796672	0	54	0.0	-74.04	422.04	9.86	-64.18
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013796672	1	54	0.0	-73.41	417.70	10.35	-63.06
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCCC(=O)[O-]	REAL300013796673	0	47	0.0	-64.88	362.78	6.97	-57.91
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCCC(=O)[O-]	REAL300013796673	1	47	0.0	-64.05	358.43	7.47	-56.58
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013796674	0	56	0.0	-68.17	427.27	9.32	-58.85
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013796674	1	56	0.0	-67.36	422.93	9.83	-57.53
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013796675	0	53	0.0	-68.00	398.22	8.42	-59.58
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013796675	1	53	0.0	-67.83	393.34	8.93	-58.90
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013796676	0	54	0.0	-64.91	402.32	9.88	-55.03
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013796676	1	54	0.0	-63.42	395.48	10.35	-53.07
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013796677	0	57	0.0	-55.96	414.53	11.07	-44.89
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013796677	1	57	0.0	-51.54	416.73	11.39	-40.15
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013796678	0	57	0.0	-71.80	411.67	10.55	-61.25
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013796678	1	57	0.0	-70.08	408.17	11.06	-59.02
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013796679	0	50	0.0	-63.70	384.28	7.76	-55.94
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013796679	1	50	0.0	-61.73	379.93	8.26	-53.47
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013796680	0	57	0.0	-69.52	414.21	10.70	-58.82
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013796680	1	57	0.0	-69.75	410.02	11.17	-58.58
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013796681	0	58	0.0	-59.47	425.35	7.74	-51.73
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013796681	1	58	0.0	-56.84	421.03	8.25	-48.59
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013796682	0	56	0.0	-64.89	417.56	8.65	-56.24
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013796682	1	56	0.0	-62.78	413.22	9.15	-53.63
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300013796683	0	59	0.0	-59.64	425.91	9.96	-49.68
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300013796683	1	59	0.0	-51.43	425.16	9.61	-41.82
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC(C)C(=O)[O-]	REAL300013796684	0	50	0.0	-66.45	380.45	7.71	-58.74
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC(C)C(=O)[O-]	REAL300013796684	1	50	0.0	-66.63	377.05	8.22	-58.41
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300013796685	0	56	0.0	-59.42	415.72	9.41	-50.01
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300013796685	1	56	0.0	-55.16	420.06	8.92	-46.24
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013796686	0	63	0.0	-66.25	456.67	10.32	-55.93
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013796686	1	63	0.0	-66.44	454.58	10.95	-55.49
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013796687	0	60	0.0	-55.59	453.15	11.09	-44.50
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013796687	1	60	0.0	-49.80	449.64	11.66	-38.14
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013796688	0	54	0.0	-61.87	405.73	9.02	-52.85
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013796688	1	54	0.0	-58.75	401.01	9.51	-49.24
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013796689	0	60	0.0	-69.50	438.76	11.68	-57.82
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013796689	1	60	0.0	-69.54	434.77	12.19	-57.35
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013796690	0	56	0.0	-64.64	415.49	8.52	-56.12
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013796690	1	56	0.0	-60.16	409.70	8.83	-51.33
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013796691	0	57	0.0	-61.78	422.73	9.82	-51.96
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013796691	1	57	0.0	-59.41	419.13	10.36	-49.05
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013796692	0	57	0.0	-69.79	411.39	11.00	-58.79
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013796692	1	57	0.0	-63.03	410.46	10.75	-52.28
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013796693	0	54	0.0	-59.20	405.66	8.98	-50.22
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013796693	1	54	0.0	-55.67	401.34	9.46	-46.21
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013796694	0	57	0.0	-63.02	429.79	9.74	-53.28
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013796694	1	57	0.0	-64.14	427.12	10.42	-53.72
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013796695	0	57	0.0	-71.80	411.67	10.55	-61.25
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013796695	1	57	0.0	-70.08	408.17	11.06	-59.02
CC(C)C[C@H](CNC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)CC(=O)[O-]	REAL300013796696	0	62	0.0	-58.44	452.10	10.81	-47.63
CC(C)C[C@H](CNC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)CC(=O)[O-]	REAL300013796696	1	62	0.0	-58.65	450.79	10.19	-48.46
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013796697	0	54	0.0	-68.28	415.64	9.99	-58.29
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013796697	1	54	0.0	-66.51	411.30	10.48	-56.03
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C1	REAL300013796698	0	58	0.0	-67.39	428.13	10.22	-57.17
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C1	REAL300013796698	1	58	0.0	-68.38	433.79	9.80	-58.58
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013796699	0	51	0.0	-62.85	389.40	8.32	-54.53
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013796699	1	51	0.0	-63.89	385.38	8.82	-55.07
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013796700	0	59	0.0	-67.12	437.77	7.42	-59.70
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013796700	1	59	0.0	-67.41	434.70	8.01	-59.40
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013796701	0	54	0.0	-56.70	399.04	10.23	-46.47
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013796701	1	54	0.0	-50.69	394.24	10.73	-39.96
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013796702	0	54	0.0	-70.24	398.83	10.26	-59.98
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013796702	1	54	0.0	-54.30	396.66	9.99	-44.31
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1CC(C(=O)[O-])C1	REAL300013796703	0	51	0.0	-65.79	389.74	8.33	-57.46
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1CC(C(=O)[O-])C1	REAL300013796703	1	51	0.0	-64.07	385.42	8.82	-55.25
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013796704	0	51	0.0	-67.35	389.27	8.37	-58.98
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013796704	1	51	0.0	-63.42	385.55	8.91	-54.51
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013796705	0	54	0.0	-74.04	422.04	9.86	-64.18
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013796705	1	54	0.0	-73.41	417.70	10.35	-63.06
CCC(CNC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300013796706	0	53	0.0	-46.89	392.83	9.01	-37.88
CCC(CNC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300013796706	1	53	0.0	-54.75	403.27	8.43	-46.32
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013796707	0	60	0.0	-71.67	432.47	11.63	-60.04
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013796707	1	60	0.0	-77.35	430.63	11.35	-66.00
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013796708	0	62	0.0	-70.38	470.27	10.89	-59.49
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013796708	1	62	0.0	-70.01	465.93	11.39	-58.62
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013796709	0	59	0.0	-70.93	448.77	10.11	-60.82
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013796709	1	59	0.0	-71.15	444.43	10.61	-60.54
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N(C)CCCC(=O)[O-]	REAL300013796710	0	53	0.0	-63.73	401.90	10.17	-53.56
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N(C)CCCC(=O)[O-]	REAL300013796710	1	53	0.0	-63.43	397.30	10.69	-52.74
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013796711	0	57	0.0	-70.71	413.64	10.99	-59.72
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013796711	1	57	0.0	-69.63	409.57	11.52	-58.11
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C1	REAL300013796712	0	61	0.0	-71.78	440.07	11.40	-60.38
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C1	REAL300013796712	1	61	0.0	-73.33	444.22	10.90	-62.43
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C	REAL300013796713	0	57	0.0	-50.23	429.23	10.06	-40.17
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C	REAL300013796713	1	57	0.0	-55.77	433.59	9.52	-46.25
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013796714	0	60	0.0	-71.38	439.17	11.70	-59.68
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013796714	1	60	0.0	-71.89	434.96	12.17	-59.72
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013796715	0	58	0.0	-62.67	431.36	13.01	-49.66
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013796715	1	58	0.0	-61.17	427.43	13.16	-48.01
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013796716	0	55	0.0	-62.91	411.36	9.00	-53.91
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013796716	1	55	0.0	-58.75	405.72	9.47	-49.28
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013796717	0	57	0.0	-53.75	415.38	10.87	-42.88
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013796717	1	57	0.0	-53.75	413.25	10.63	-43.12
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013796718	0	55	0.0	-57.66	408.38	7.79	-49.87
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013796718	1	55	0.0	-68.95	407.43	7.58	-61.37
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013796719	0	58	0.0	-67.56	440.24	10.88	-56.68
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013796719	1	58	0.0	-65.77	434.60	11.35	-54.42
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)CC1	REAL300013796720	0	61	0.0	-77.72	441.55	9.53	-68.19
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)CC1	REAL300013796720	1	61	0.0	-75.04	443.68	9.65	-65.39
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013796721	0	52	0.0	-70.41	399.53	8.56	-61.85
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013796721	1	52	0.0	-70.95	395.97	9.12	-61.83
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013796722	0	63	0.0	-67.03	445.67	10.55	-56.48
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013796722	1	63	0.0	-68.32	441.41	11.09	-57.23
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013796723	0	57	0.0	-58.57	420.24	9.99	-48.58
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013796723	1	57	0.0	-63.88	415.96	10.47	-53.41
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013796724	0	60	0.0	-70.37	444.50	10.27	-60.10
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013796724	1	60	0.0	-69.41	438.95	10.76	-58.65
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013796725	0	57	0.0	-62.50	416.44	10.90	-51.60
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013796725	1	57	0.0	-60.09	412.46	11.41	-48.68
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013796726	0	58	0.0	-71.90	433.03	10.33	-61.57
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013796726	1	58	0.0	-72.13	429.04	10.83	-61.30
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013796727	0	57	0.0	-67.69	424.68	9.56	-58.13
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013796727	1	57	0.0	-66.34	419.88	10.04	-56.30
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013796728	0	57	0.0	-61.72	420.34	9.97	-51.75
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013796728	1	57	0.0	-58.29	415.89	10.46	-47.83
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013796729	0	58	0.0	-56.68	429.47	8.40	-48.28
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013796729	1	58	0.0	-50.56	425.54	8.91	-41.65
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013796730	0	55	0.0	-53.47	411.43	7.11	-46.36
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013796730	1	55	0.0	-47.19	407.04	7.63	-39.56
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013796731	0	52	0.0	-67.04	401.25	9.06	-57.98
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013796731	1	52	0.0	-64.94	396.80	9.50	-55.44
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CC1	REAL300013796732	0	51	0.0	-56.18	389.56	8.61	-47.57
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CC1	REAL300013796732	1	51	0.0	-51.66	385.24	9.08	-42.58
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013796733	0	58	0.0	-59.89	426.52	11.02	-48.87
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013796733	1	58	0.0	-56.29	420.49	11.48	-44.81
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013796734	0	55	0.0	-70.75	406.68	9.50	-61.25
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013796734	1	55	0.0	-70.32	401.65	10.02	-60.30
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C1	REAL300013796735	0	48	0.0	-58.59	370.55	8.54	-50.05
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C1	REAL300013796735	1	48	0.0	-55.72	366.24	9.05	-46.67
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC=C2C[N@H+](C)C(C)C)C1	REAL300013796736	0	58	0.0	-70.67	428.56	9.82	-60.85
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC=C2C[N@@H+](C)C(C)C)C1	REAL300013796736	1	58	0.0	-68.99	431.68	9.25	-59.74
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])C1	REAL300013796737	0	51	0.0	-65.71	385.44	9.33	-56.38
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])C1	REAL300013796737	1	51	0.0	-64.68	380.53	9.85	-54.83
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013796738	0	52	0.0	-69.30	400.15	9.07	-60.23
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013796738	1	52	0.0	-69.14	395.91	9.57	-59.57
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)CCC(=O)[O-]	REAL300013796739	0	53	0.0	-64.41	404.03	8.78	-55.63
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)CCC(=O)[O-]	REAL300013796739	1	53	0.0	-62.86	399.76	9.27	-53.59
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300013796740	0	52	0.0	-75.23	399.66	8.63	-66.60
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300013796741	0	52	0.0	-77.75	423.81	8.25	-69.50
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300013796742	0	50	0.0	-80.50	392.83	7.08	-73.42
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300013796743	0	55	0.0	-80.12	426.44	7.94	-72.18
C[NH+](C)CCOC1=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C1	REAL300013796744	0	51	0.0	-78.23	407.55	6.92	-71.31
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013796745	0	52	0.0	-78.48	423.82	8.23	-70.25
C[NH+](C)CCOC1=CC=C(CNC(=O)NCCC(=O)[O-])C=C1	REAL300013796746	0	45	0.0	-76.03	364.55	5.35	-70.68
C[NH+](C)CCOC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013796747	0	54	0.0	-76.41	429.05	7.71	-68.70
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013796748	0	51	0.0	-78.83	400.00	6.79	-72.04
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300013796749	0	52	0.0	-81.61	404.04	8.27	-73.34
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300013796750	0	55	0.0	-65.29	416.69	9.46	-55.83
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013796751	0	55	0.0	-77.37	413.97	8.93	-68.44
C[NH+](C)CCOC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013796752	0	48	0.0	-72.80	386.05	6.14	-66.66
CC1CCN(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)CC1C(=O)[O-]	REAL300013796753	0	55	0.0	-80.87	415.90	9.08	-71.79
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013796754	0	56	0.0	-70.27	426.14	6.29	-63.98
C[NH+](C)CCOC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013796755	0	54	0.0	-73.43	418.75	7.02	-66.41
CCC(CC)(CNC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013796756	0	57	0.0	-70.11	431.64	7.83	-62.28
CC(CNC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013796757	0	48	0.0	-77.01	382.23	6.07	-70.94
CC(C)C(CNC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013796758	0	54	0.0	-69.81	415.58	7.42	-62.39
CC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013796759	0	61	0.0	-81.62	459.87	8.77	-72.85
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013796760	0	58	0.0	-71.40	451.01	9.65	-61.75
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013796761	0	52	0.0	-71.18	407.47	7.40	-63.78
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300013796762	0	58	0.0	-76.23	440.57	10.08	-66.15
C[NH+](C)CCOC1=CC=C(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C=C1	REAL300013796763	0	54	0.0	-75.22	417.26	6.91	-68.31
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013796764	0	55	0.0	-70.70	424.50	8.19	-62.51
CC1CN(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)CCC1C(=O)[O-]	REAL300013796765	0	55	0.0	-74.13	413.06	9.36	-64.77
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCC2)C=C1	REAL300013796766	0	52	0.0	-69.08	406.52	7.50	-61.58
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300013796767	0	55	0.0	-79.03	431.47	8.13	-70.90
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013796768	0	55	0.0	-77.37	413.97	8.93	-68.44
CC(C)C[C@H](CNC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013796769	0	60	0.0	-77.83	452.54	8.56	-69.27
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013796770	0	52	0.0	-77.12	417.41	8.36	-68.76
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300013796771	0	56	0.0	-80.03	437.77	7.32	-72.71
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013796772	0	49	0.0	-73.55	391.53	6.70	-66.85
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C=C1	REAL300013796773	0	57	0.0	-77.87	439.09	5.74	-72.13
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013796774	0	52	0.0	-64.82	399.93	8.62	-56.20
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300013796775	0	52	0.0	-80.58	400.47	8.66	-71.92
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300013796776	0	49	0.0	-73.85	391.13	6.70	-67.15
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300013796777	0	49	0.0	-75.13	391.35	6.75	-68.38
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013796778	0	52	0.0	-78.48	423.82	8.23	-70.25
CCC(CNC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013796779	0	51	0.0	-69.10	399.35	7.00	-62.10
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCCCC2CCC(=O)[O-])C=C1	REAL300013796780	0	58	0.0	-86.38	433.89	10.00	-76.38
C[NH+](C)CCOC1=CC=C(CNC(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300013796781	0	60	0.0	-78.27	472.04	9.27	-69.00
C[NH+](C)CCOC1=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=C1	REAL300013796782	0	57	0.0	-79.63	450.54	8.49	-71.14
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300013796783	0	51	0.0	-79.63	403.68	8.55	-71.08
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300013796784	0	55	0.0	-80.97	415.38	9.39	-71.58
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300013796785	0	59	0.0	-84.88	447.51	8.53	-76.35
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300013796786	0	55	0.0	-63.23	435.38	7.89	-55.34
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300013796787	0	58	0.0	-81.54	440.91	10.08	-71.46
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C=C1	REAL300013796788	0	56	0.0	-87.55	433.15	11.38	-76.17
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C=C1	REAL300013796789	0	53	0.0	-69.48	412.71	7.36	-62.12
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300013796790	0	55	0.0	-80.85	415.86	9.21	-71.64
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300013796791	0	53	0.0	-78.11	410.13	6.19	-71.92
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300013796792	0	56	0.0	-76.56	446.50	9.47	-67.09
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)CC1	REAL300013796793	0	59	0.0	-77.07	444.60	8.67	-68.40
C[NH+](C)CCOC1=CC=C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300013796794	0	50	0.0	-79.81	401.26	6.94	-72.87
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C=C1	REAL300013796795	0	61	0.0	-77.57	447.46	8.89	-68.68
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300013796796	0	55	0.0	-72.59	422.01	8.36	-64.23
C[NH+](C)CCOC1=CC=C(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300013796797	0	58	0.0	-77.73	446.19	8.66	-69.07
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300013796798	0	55	0.0	-69.85	418.16	9.30	-60.55
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C=C1	REAL300013796799	0	56	0.0	-78.67	434.73	8.72	-69.95
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013796800	0	55	0.0	-74.20	425.91	7.93	-66.27
C[NH+](C)CCOC1=CC=C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C=C1	REAL300013796801	0	55	0.0	-72.29	422.01	8.35	-63.94
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300013796802	0	56	0.0	-74.25	431.08	6.78	-67.47
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300013796803	0	53	0.0	-70.27	413.19	5.48	-64.79
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013796804	0	50	0.0	-74.43	402.67	7.42	-67.01
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013796805	0	49	0.0	-67.16	391.33	6.97	-60.19
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=C1	REAL300013796806	0	56	0.0	-68.24	429.53	9.45	-58.79
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300013796807	0	53	0.0	-81.14	408.36	7.88	-73.26
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C2)C=C1	REAL300013796808	0	46	0.0	-69.12	372.29	6.92	-62.20
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300013796809	0	56	0.0	-63.21	433.28	7.65	-55.56
C[NH+](C)CCOC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300013796810	0	49	0.0	-76.52	387.17	7.72	-68.80
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013796811	0	50	0.0	-79.50	402.29	7.44	-72.06
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300013796812	0	51	0.0	-71.03	405.81	7.15	-63.88
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300013796813	0	52	0.0	-75.42	399.72	8.60	-66.82
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013796814	0	52	0.0	-77.11	423.81	8.25	-68.86
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300013796815	0	50	0.0	-78.76	392.76	7.09	-71.67
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300013796816	0	55	0.0	-72.47	420.69	8.32	-64.15
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCCCCC(=O)[O-])=C1	REAL300013796817	0	51	0.0	-77.09	407.55	6.92	-70.17
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013796818	0	52	0.0	-79.63	423.82	8.23	-71.40
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCCC(=O)[O-])=C1	REAL300013796819	0	45	0.0	-74.78	364.56	5.34	-69.44
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013796820	0	54	0.0	-75.74	429.05	7.70	-68.04
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013796821	0	51	0.0	-77.38	399.99	6.80	-70.58
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300013796822	0	52	0.0	-78.95	404.06	8.26	-70.69
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C1	REAL300013796823	0	55	0.0	-64.97	416.15	9.47	-55.50
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013796824	0	55	0.0	-77.33	413.28	8.95	-68.38
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013796825	0	48	0.0	-72.10	386.05	6.14	-65.96
CC1CCN(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)CC1C(=O)[O-]	REAL300013796826	0	55	0.0	-65.13	410.31	8.86	-56.27
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013796827	0	56	0.0	-70.99	426.14	6.29	-64.70
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013796828	0	54	0.0	-72.86	419.34	7.03	-65.83
CCC(CC)(CNC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013796829	0	57	0.0	-68.89	431.65	7.81	-61.08
CC(CNC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013796830	0	48	0.0	-76.12	383.10	6.11	-70.01
CC(C)C(CNC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013796831	0	54	0.0	-71.94	421.84	7.30	-64.64
CC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013796832	0	61	0.0	-78.49	462.08	9.17	-69.32
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013796833	0	58	0.0	-69.88	454.92	9.46	-60.42
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013796834	0	52	0.0	-72.18	407.74	7.43	-64.75
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)=C1	REAL300013796835	0	58	0.0	-76.47	440.57	10.08	-66.39
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1	REAL300013796836	0	54	0.0	-81.62	417.57	6.77	-74.85
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013796837	0	55	0.0	-71.49	424.52	8.18	-63.31
CC1CN(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)CCC1C(=O)[O-]	REAL300013796838	0	55	0.0	-71.14	413.13	9.35	-61.79
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013796839	0	52	0.0	-69.59	406.54	7.48	-62.11
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013796840	0	55	0.0	-76.37	431.56	8.11	-68.26
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013796841	0	55	0.0	-77.33	413.28	8.95	-68.38
CC(C)C[C@H](CNC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)CC(=O)[O-]	REAL300013796842	0	60	0.0	-74.15	452.55	8.57	-65.58
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013796843	0	52	0.0	-78.70	417.43	8.35	-70.35
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C1	REAL300013796844	0	56	0.0	-77.93	437.78	7.31	-70.62
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013796845	0	49	0.0	-73.40	391.52	6.70	-66.70
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)=C1	REAL300013796846	0	57	0.0	-74.30	439.56	5.78	-68.52
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013796847	0	52	0.0	-60.78	400.00	8.60	-52.18
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013796848	0	52	0.0	-64.38	401.23	8.66	-55.72
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013796849	0	49	0.0	-73.38	391.52	6.70	-66.68
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013796850	0	49	0.0	-74.71	390.99	6.75	-67.96
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013796851	0	52	0.0	-79.63	423.82	8.23	-71.40
CCC(CNC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013796852	0	51	0.0	-66.84	400.04	6.92	-59.92
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCCCC2CCC(=O)[O-])=C1	REAL300013796853	0	58	0.0	-85.31	433.92	10.01	-75.30
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCCCCCCCC(=O)[O-])=C1	REAL300013796854	0	60	0.0	-77.53	472.04	9.27	-68.26
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCCCCCCC(=O)[O-])=C1	REAL300013796855	0	57	0.0	-78.48	450.54	8.49	-69.99
CN(CCCC(=O)[O-])C(=O)NCC1=CC(OCC[NH+](C)C)=CC=C1	REAL300013796856	0	51	0.0	-77.03	403.69	8.54	-68.49
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300013796857	0	55	0.0	-79.91	415.38	9.37	-70.54
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C1	REAL300013796858	0	59	0.0	-83.85	447.53	8.55	-75.30
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300013796859	0	55	0.0	-65.43	435.37	7.90	-57.53
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300013796860	0	58	0.0	-79.99	440.92	10.07	-69.92
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300013796861	0	56	0.0	-81.15	433.81	11.16	-69.99
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)=C1	REAL300013796862	0	53	0.0	-69.44	413.06	7.38	-62.06
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300013796863	0	55	0.0	-65.28	415.95	9.18	-56.10
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013796864	0	53	0.0	-76.53	410.10	6.17	-70.36
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300013796865	0	56	0.0	-75.78	446.50	9.47	-66.31
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)CC1	REAL300013796866	0	59	0.0	-80.49	445.37	8.04	-72.45
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013796867	0	50	0.0	-78.81	401.27	6.93	-71.88
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300013796868	0	61	0.0	-72.36	447.27	8.92	-63.44
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013796869	0	55	0.0	-72.53	420.70	8.31	-64.22
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300013796870	0	58	0.0	-77.11	446.20	8.64	-68.47
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300013796871	0	55	0.0	-70.20	418.19	9.32	-60.88
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)=C1	REAL300013796872	0	56	0.0	-78.73	434.79	8.69	-70.04
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013796873	0	55	0.0	-72.30	425.92	7.92	-64.38
C[NH+](C)CCOC1=CC=CC(CNC(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300013796874	0	55	0.0	-70.68	422.01	8.36	-62.32
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300013796875	0	56	0.0	-69.48	428.39	6.50	-62.98
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300013796876	0	53	0.0	-67.42	413.19	5.48	-61.94
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013796877	0	50	0.0	-74.69	402.67	7.44	-67.25
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013796878	0	49	0.0	-67.99	391.70	7.07	-60.92
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300013796879	0	56	0.0	-68.54	429.52	9.47	-59.07
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013796880	0	53	0.0	-79.38	408.48	7.91	-71.47
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])C2)=C1	REAL300013796881	0	46	0.0	-68.60	372.29	6.91	-61.69
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC(OCC[NH+](C)C)=C2)C1	REAL300013796882	0	56	0.0	-64.15	433.35	7.63	-56.52
C[NH+](C)CCOC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013796883	0	49	0.0	-75.16	387.18	7.71	-67.45
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013796884	0	50	0.0	-77.92	401.95	7.43	-70.49
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1	REAL300013796885	0	51	0.0	-72.04	405.81	7.16	-64.88
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(OCC3=CC=CC=N3)=C2)CC1	REAL300013796917	1	55	0.0	-38.96	437.18	7.86	-31.10
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(OCC(F)(F)F)=C2)CC1	REAL300013796983	1	49	0.0	-38.99	404.07	6.96	-32.03
CCN(CC)C(=O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013797103	1	58	0.0	-47.54	440.73	7.76	-39.78
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300013797138	1	56	0.0	-85.75	424.02	8.65	-77.10
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)N3CCOC(C(=O)[O-])C3)C=C2)CC1	REAL300013797139	1	54	0.0	-88.77	417.26	7.12	-81.65
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C2)CC1	REAL300013797140	1	55	0.0	-86.64	433.18	6.99	-79.65
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)NCCC(=O)[O-])C=C2)CC1	REAL300013797141	1	49	0.0	-84.21	390.18	5.42	-78.79
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300013797142	1	58	0.0	-85.72	454.68	7.78	-77.94
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013797143	1	55	0.0	-86.55	425.04	6.88	-79.67
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300013797144	1	56	0.0	-87.79	429.68	8.34	-79.45
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013797145	1	52	0.0	-82.27	411.68	6.21	-76.06
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013797146	1	58	0.0	-83.11	444.39	7.08	-76.03
CC(CNC(=O)NCC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013797147	1	52	0.0	-85.17	407.86	6.16	-79.01
CC(C)C(CNC(=O)NCC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013797148	1	58	0.0	-81.43	439.50	7.45	-73.98
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013797149	1	56	0.0	-81.58	431.56	7.44	-74.14
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300013797150	1	56	0.0	-72.43	433.06	7.42	-65.01
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013797151	1	53	0.0	-84.26	415.26	6.75	-77.51
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013797152	1	56	0.0	-67.69	423.77	8.64	-59.05
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013797153	1	56	0.0	-70.33	426.94	8.75	-61.58
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)NC3CC(C(=O)[O-])C3)C=C2)CC1	REAL300013797154	1	53	0.0	-83.61	417.15	6.78	-76.83
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013797155	1	53	0.0	-82.97	415.33	6.79	-76.18
CCC(CNC(=O)NCC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013797156	1	55	0.0	-80.89	423.97	7.02	-73.87
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1	REAL300013797157	1	55	0.0	-85.85	429.31	8.63	-77.22
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)CC1	REAL300013797158	1	54	0.0	-89.30	426.89	7.01	-82.29
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300013797159	1	54	0.0	-80.53	427.01	7.46	-73.07
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CC3)C=C2)CC1	REAL300013797160	1	53	0.0	-70.86	416.95	7.04	-63.82
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)N3CC(C(=O)[O-])C3)C=C2)CC1	REAL300013797161	1	50	0.0	-78.70	397.92	6.99	-71.71
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C3)C=C2)CC1	REAL300013797162	1	53	0.0	-84.58	412.80	7.79	-76.79
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300013797163	1	54	0.0	-88.69	427.57	7.52	-81.17
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1	REAL300013797164	1	55	0.0	-82.48	431.44	7.23	-75.25
CCNC(=O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013797197	1	52	0.0	-46.33	411.10	5.39	-40.94
CC1CCN(C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])CC3)C=[NH+]2)CC1	REAL300013797267	1	54	0.0	-64.73	403.82	8.49	-56.24
CC1CCN(C2=CC=C(CNC(=O)NCC3=CC=C(C(=O)[O-])C=C3)C=[NH+]2)CC1	REAL300013797268	1	54	0.0	-71.44	427.90	8.12	-63.32
CC1CCN(C2=CC=C(CNC(=O)N3CCOC(C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797269	1	52	0.0	-56.17	396.94	6.95	-49.22
CC1CCN(C2=CC=C(CNC(=O)NC3CCC(C(=O)[O-])CC3)C=[NH+]2)CC1	REAL300013797270	1	57	0.0	-72.50	430.54	7.81	-64.69
CC1CCN(C2=CC=C(CNC(=O)NCCCCC(=O)[O-])C=[NH+]2)CC1	REAL300013797271	1	53	0.0	-70.09	411.64	6.79	-63.30
CC1CCN(C2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=[NH+]2)CC1	REAL300013797272	1	54	0.0	-69.91	427.90	8.10	-61.81
CC1CCN(C2=CC=C(CNC(=O)NCCC(=O)[O-])C=[NH+]2)CC1	REAL300013797273	1	47	0.0	-66.47	368.64	5.21	-61.26
CC1CCN(C2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=[NH+]2)CC1	REAL300013797274	1	56	0.0	-68.96	433.14	7.57	-61.39
CC1CCN(C2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=[NH+]2)CC1	REAL300013797275	1	53	0.0	-69.81	404.08	6.67	-63.14
CC1CCN(C2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797276	1	54	0.0	-68.99	410.99	8.06	-60.93
CC1CCN(C2=CC=C(CNC(=O)N3CC(C)CC(C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797277	1	57	0.0	-52.74	420.97	9.34	-43.40
CC1CCN(C2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=[NH+]2)CC1	REAL300013797278	1	57	0.0	-69.55	418.05	8.81	-60.74
CC1CCN(C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=[NH+]2)CC1	REAL300013797279	1	50	0.0	-64.55	390.14	6.01	-58.54
CC1CCN(C2=CC=C(CNC(=O)N3CCC(C)C(C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797280	1	57	0.0	-53.13	420.05	8.93	-44.20
CC1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCOCC3)C=[NH+]2)CC1	REAL300013797281	1	58	0.0	-55.53	431.22	5.99	-49.54
CC1CCN(C2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=[NH+]2)CC1	REAL300013797282	1	56	0.0	-65.49	423.43	6.89	-58.60
CCC(CC)(CNC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300013797283	1	59	0.0	-57.87	435.73	7.69	-50.18
CC(CNC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300013797284	1	50	0.0	-67.82	387.19	5.97	-61.85
CC(C)C(CNC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300013797285	1	56	0.0	-57.59	420.68	7.27	-50.32
CC1CCN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797286	1	54	0.0	-61.72	411.32	7.09	-54.63
CC1CCN(C2=CC=C(CNC(=O)N3CCC(CCC(=O)[O-])CC3)C=[NH+]2)CC1	REAL300013797287	1	60	0.0	-70.89	444.66	9.95	-60.94
CC1CCN(C2=CC=C(CNC(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797288	1	56	0.0	-67.04	421.03	6.59	-60.45
CC1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=[NH+]2)CC1	REAL300013797289	1	57	0.0	-58.31	428.59	8.06	-50.25
CC1CCN(C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C(C)C3)C=[NH+]2)CC1	REAL300013797290	1	57	0.0	-66.32	417.21	9.23	-57.09
CC1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCC3)C=[NH+]2)CC1	REAL300013797291	1	54	0.0	-55.51	411.52	7.22	-48.29
CC1CCN(C2=CC=C(CNC(=O)NCC(CC(=O)[O-])C3CC3)C=[NH+]2)CC1	REAL300013797292	1	57	0.0	-68.57	435.64	7.99	-60.58
CC1CCN(C2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=[NH+]2)CC1	REAL300013797293	1	57	0.0	-69.55	418.05	8.81	-60.74
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)CC(=O)[O-]	REAL300013797294	1	62	0.0	-62.39	462.05	8.60	-53.79
CC1CCN(C2=CC=C(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])C=[NH+]2)CC1	REAL300013797295	1	54	0.0	-61.63	421.52	8.21	-53.42
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCC(C)CC3)[NH+]=C2)C1	REAL300013797296	1	58	0.0	-71.05	441.86	7.18	-63.87
CC1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797297	1	51	0.0	-64.80	395.03	6.40	-58.40
CC1CCN(C2=CC=C(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=N2)CC1	REAL300013797298	1	59	0.0	-40.75	444.29	7.50	-33.25
CC1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797299	1	54	0.0	-53.28	403.83	8.30	-44.98
CC1CCN(C2=CC=C(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797300	1	54	0.0	-54.36	405.07	8.37	-45.99
CC1CCN(C2=CC=C(CNC(=O)NC3CC(C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797301	1	51	0.0	-65.26	395.60	6.58	-58.68
CC1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797302	1	51	0.0	-67.39	395.10	6.63	-60.76
CC1CCN(C2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=[NH+]2)CC1	REAL300013797303	1	54	0.0	-69.91	427.90	8.10	-61.81
CCC(CNC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300013797304	1	53	0.0	-57.32	404.13	6.78	-50.54
CC1CCN(C2=CC=C(CNC(=O)N3CCCCC3CCC(=O)[O-])C=[NH+]2)CC1	REAL300013797305	1	60	0.0	-73.84	438.01	9.88	-63.96
CC1CCN(C2=CC=C(CNC(=O)NCCCCCCCC(=O)[O-])C=[NH+]2)CC1	REAL300013797306	1	62	0.0	-71.19	476.13	9.13	-62.06
CC1CCN(C2=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=[NH+]2)CC1	REAL300013797307	1	59	0.0	-71.97	454.64	8.35	-63.62
CC1CCN(C2=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=[NH+]2)CC1	REAL300013797308	1	53	0.0	-69.98	407.77	8.42	-61.56
CC1CCN(C2=CC=C(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797309	1	57	0.0	-73.07	419.46	9.25	-63.82
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300013797310	1	57	0.0	-51.27	439.45	7.77	-43.50
CC1CCN(C2=CC=C(CNC(=O)N3CCCC(CCC(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797311	1	60	0.0	-72.52	444.96	9.94	-62.58
CC1CCN(C2=CC=C(CNC(=O)N3CCN(C(=O)C(=O)[O-])CC3)C=[NH+]2)CC1	REAL300013797312	1	55	0.0	-62.66	417.14	7.26	-55.40
CC1CCN(C2=CC=C(CNC(=O)N3CC(C(=O)[O-])CCC3C)C=[NH+]2)CC1	REAL300013797313	1	57	0.0	-55.04	421.25	9.12	-45.92
CC1CCN(C2=CC=C(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797314	1	55	0.0	-69.78	414.17	6.05	-63.73
CC1CCN(C2=CC=C(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)C=[NH+]2)CC1	REAL300013797315	1	52	0.0	-72.15	405.35	6.80	-65.35
CC1CCN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=[NH+]2)CC1	REAL300013797316	1	57	0.0	-61.13	424.78	8.20	-52.93
CC1CCN(C2=CC=C(CNC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)C=[NH+]2)CC1	REAL300013797317	1	60	0.0	-70.38	448.96	8.49	-61.89
CC1CCN(C2=CC=C(CNC(=O)N3CCC(CC(=O)[O-])CC3)C=[NH+]2)CC1	REAL300013797318	1	57	0.0	-69.90	422.34	9.17	-60.73
CC1CCN(C2=CC=C(CNC(=O)N3CCC(OCC(=O)[O-])CC3)C=[NH+]2)CC1	REAL300013797319	1	58	0.0	-69.33	438.88	8.59	-60.74
CC1CCN(C2=CC=C(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797320	1	57	0.0	-66.15	430.53	7.81	-58.34
CC1CCN(C2=CC=C(CNC(=O)NC3CCCC(C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797321	1	57	0.0	-63.90	426.11	8.23	-55.67
CC1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCOC3)C=[NH+]2)CC1	REAL300013797322	1	58	0.0	-62.09	435.34	6.65	-55.44
CC1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCOC3)C=[NH+]2)CC1	REAL300013797323	1	55	0.0	-58.19	417.29	5.34	-52.85
CC1CCN(C2=CC=C(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=[NH+]2)CC1	REAL300013797324	1	52	0.0	-64.32	407.04	7.29	-57.03
CC1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CC3)C=[NH+]2)CC1	REAL300013797325	1	51	0.0	-53.53	395.42	6.84	-46.69
CC1CCN(C2=CC=C(CNC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)C=[NH+]2)CC1	REAL300013797326	1	58	0.0	-60.05	433.61	9.33	-50.72
CC1CCN(C2=CC=C(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797327	1	55	0.0	-73.24	412.51	7.74	-65.50
CC1CCN(C2=CC=C(CNC(=O)N3CC(C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797328	1	48	0.0	-60.36	376.38	6.79	-53.57
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCC(C)CC3)[NH+]=C2)C1	REAL300013797329	1	58	0.0	-55.85	435.67	7.58	-48.27
CC1CCN(C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013797330	1	51	0.0	-68.19	391.28	7.59	-60.60
CC1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=[NH+]2)CC1	REAL300013797331	1	52	0.0	-71.95	406.01	7.32	-64.63
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1	REAL300013797332	1	53	0.0	-63.02	409.89	7.03	-55.99
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC(F)=CC=C2Br)CC1	REAL300013797364	1	42	0.0	-35.81	358.00	6.84	-28.97
CC(CNC(=O)N1CCC(C(=O)[O-])CC1)C[NH+]1CCCCC1	REAL300013797399	0	51	0.0	-71.87	368.00	8.68	-63.19
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C[NH+]1CCCCC1	REAL300013797400	0	51	0.0	-75.94	392.38	8.33	-67.61
CC(CNC(=O)N1CCOC(C(=O)[O-])C1)C[NH+]1CCCCC1	REAL300013797401	0	49	0.0	-63.26	361.28	7.10	-56.16
CC(CNC(=O)NC1CCC(C(=O)[O-])CC1)C[NH+]1CCCCC1	REAL300013797402	0	54	0.0	-77.01	394.95	8.01	-69.00
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C[NH+]1CCCCC1	REAL300013797403	0	51	0.0	-75.34	392.32	8.32	-67.02
CC(CNC(=O)NCCCCCC(=O)[O-])C[NH+]1CCCCC1	REAL300013797404	0	53	0.0	-73.77	397.34	7.74	-66.03
CC(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C[NH+]1CCCCC1	REAL300013797405	0	61	0.0	-75.72	440.70	11.82	-63.90
CC(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C[NH+]1CCCCC1	REAL300013797406	0	51	0.0	-74.21	375.32	8.24	-65.97
CC(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)C[NH+]1CCCCC1	REAL300013797407	0	54	0.0	-60.72	389.67	9.25	-51.47
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C[NH+]1CCCCC1	REAL300013797408	0	54	0.0	-73.80	381.77	8.95	-64.85
CC(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)C[NH+]1CCCCC1	REAL300013797409	0	54	0.0	-76.89	384.38	9.10	-67.79
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C[NH+]1CCCCC1	REAL300013797410	0	55	0.0	-61.66	394.48	6.34	-55.32
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])C[NH+]1CCCCC1	REAL300013797411	0	53	0.0	-70.73	387.63	7.07	-63.66
CCC(CC)(CNC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300013797412	0	56	0.0	-63.86	396.97	8.18	-55.68
CC(C)C(CNC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300013797413	0	53	0.0	-66.52	390.13	7.33	-59.19
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C[NH+]1CCCCC1	REAL300013797414	0	60	0.0	-77.49	430.64	9.24	-68.25
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCCC1	REAL300013797415	0	57	0.0	-64.19	419.30	9.70	-54.49
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C[NH+]1CCCCC1	REAL300013797416	0	51	0.0	-66.23	375.68	7.41	-58.82
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C[NH+]1CCCCC1	REAL300013797417	0	57	0.0	-73.14	408.82	10.13	-63.01
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C[NH+]1CCCCC1	REAL300013797418	0	53	0.0	-70.44	386.24	6.80	-63.64
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)C[NH+]1CCCCC1	REAL300013797419	0	54	0.0	-65.33	393.08	8.27	-57.06
CC(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)C[NH+]1CCCCC1	REAL300013797420	0	54	0.0	-71.10	381.55	9.39	-61.71
CC(CNC(=O)NCC1(C(=O)[O-])CCC1)C[NH+]1CCCCC1	REAL300013797421	0	51	0.0	-62.51	375.04	7.58	-54.93
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)C[NH+]1CCCCC1	REAL300013797422	0	54	0.0	-73.22	400.05	8.15	-65.07
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C[NH+]1CCCCC1	REAL300013797423	0	54	0.0	-73.80	381.77	8.95	-64.85
CC(C)C[C@H](CNC(=O)NCC(C)C[NH+]1CCCCC1)CC(=O)[O-]	REAL300013797424	0	59	0.0	-71.22	420.91	8.66	-62.56
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C[NH+]1CCCCC1	REAL300013797425	0	51	0.0	-70.68	386.00	8.43	-62.25
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)C[NH+]2CCCCC2)C1	REAL300013797426	0	55	0.0	-76.56	406.19	7.36	-69.20
CC(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C[NH+]1CCCCC1	REAL300013797427	0	56	0.0	-72.17	407.29	5.79	-66.38
CC(CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)C[NH+]1CCCCC1	REAL300013797428	0	61	0.0	-65.10	451.50	9.95	-55.15
CC(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C[NH+]1CCCCC1	REAL300013797429	0	51	0.0	-59.78	368.41	8.65	-51.13
CC(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C[NH+]1CCCCC1	REAL300013797430	0	51	0.0	-60.21	369.51	8.70	-51.51
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C[NH+]1CCCCC1	REAL300013797431	0	51	0.0	-75.34	392.32	8.32	-67.02
CC(CNC(=O)N1CCCCC1CCC(=O)[O-])C[NH+]1CCCCC1	REAL300013797432	0	57	0.0	-78.91	402.84	10.04	-68.87
CC(CNC(=O)NCCCCCCCC(=O)[O-])C[NH+]1CCCCC1	REAL300013797433	0	59	0.0	-75.86	440.34	9.31	-66.55
CC(CNC(=O)NCCCCCCC(=O)[O-])C[NH+]1CCCCC1	REAL300013797434	0	56	0.0	-76.62	418.84	8.53	-68.09
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COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)C[NH+]2CCCCC2)C1	REAL300013797436	0	58	0.0	-82.36	415.98	8.57	-73.79
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CC(CN1CC[NH+](C)CC1)NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013799982	0	60	0.0	-63.79	451.89	7.03	-56.76
CC(CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013799983	0	50	0.0	-76.31	368.79	5.71	-70.60
CC(CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013799984	0	50	0.0	-61.47	369.99	5.76	-55.71
CC(CN1CC[NH+](C)CC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013799985	0	50	0.0	-77.63	390.30	5.33	-72.30
CC(C[NH+]1CCN(C)CC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013799985	1	50	0.0	-72.87	390.44	5.38	-67.49
COC(=O)C1CC2(C1)CN(C(=O)NC(C)CN1CC[NH+](C)CC1)CC2C(=O)[O-]	REAL300013799986	0	60	0.0	-61.62	447.99	7.02	-54.60
CCC(CNC(=O)NC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013799987	0	49	0.0	-55.60	366.52	4.00	-51.60
CCC(CNC(=O)NC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013799987	1	49	0.0	-59.56	371.68	3.95	-55.61
CC(CN1CC[NH+](C)CC1)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013799988	0	56	0.0	-80.45	402.96	7.12	-73.33
CC(CN1CC[NH+](C)CC1)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013799989	0	58	0.0	-73.42	438.52	6.36	-67.06
CC(C[NH+]1CCN(C)CC1)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013799989	1	58	0.0	-76.09	438.67	6.41	-69.68
CC(CN1CC[NH+](C)CC1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013799990	0	55	0.0	-74.28	417.02	5.58	-68.70
CC(C[NH+]1CCN(C)CC1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013799990	1	55	0.0	-77.02	417.17	5.63	-71.39
CC(CN1CC[NH+](C)CC1)NC(=O)N(C)CCCC(=O)[O-]	REAL300013799991	0	49	0.0	-66.60	370.16	5.60	-61.00
CC(CN1CC[NH+](C)CC1)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013799992	0	53	0.0	-77.23	384.14	6.47	-70.76
COCC1(C(=O)[O-])CCCN(C(=O)NC(C)CN2CC[NH+](C)CC2)C1	REAL300013799993	0	57	0.0	-81.91	414.76	6.36	-75.55
COCCN(CCC(=O)[O-])C(=O)NC(C)CN1CC[NH+](C)CC1	REAL300013799994	0	53	0.0	-60.08	401.85	4.96	-55.12
CC(CN1CC[NH+](C)CC1)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013799995	0	56	0.0	-77.26	410.10	7.24	-70.02
CC(CN1CC[NH+](C)CC1)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013799996	0	54	0.0	-83.84	405.20	7.77	-76.07
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC(C)CN2CC[NH+](C)CC2)CCO1	REAL300013799997	0	61	0.0	-75.31	459.21	5.26	-70.05
CC(CN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013799998	0	51	0.0	-69.68	381.72	4.51	-65.17
CC(CN1CC[NH+](C)CC1)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013799999	0	53	0.0	-61.48	385.93	6.34	-55.14
CC(CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013800000	0	57	0.0	-65.06	432.55	8.38	-56.68
CC(CN1CC[NH+](C)CC1)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013800001	0	51	0.0	-61.25	376.59	3.24	-58.01
CC(CN1CC[NH+](C)CC1)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013800002	0	54	0.0	-69.50	410.79	6.37	-63.13
CC(C[NH+]1CCN(C)CC1)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013800002	1	54	0.0	-71.84	408.75	6.40	-65.44
CC(CN1CC[NH+](C)CC1)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013800003	0	57	0.0	-92.96	421.38	5.63	-87.33
CC(C[NH+]1CCN(C)CC1)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013800003	1	57	0.0	-87.38	418.88	5.59	-81.79
COCC1(C(=O)[O-])CCN(C(=O)NC(C)CN2CC[NH+](C)CC2)CC1	REAL300013800004	0	57	0.0	-77.03	414.04	5.15	-71.88
CC(CN1CC[NH+](C)CC1)NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013800005	0	48	0.0	-76.46	370.59	4.10	-72.36
CC(C[NH+]1CCN(C)CC1)NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013800005	1	48	0.0	-77.60	367.99	4.10	-73.50
CC(CN1CC[NH+](C)CC1)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013800006	0	59	0.0	-75.02	416.24	6.03	-68.99
CC(C[NH+]1CCN(C)CC1)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013800006	1	59	0.0	-64.23	414.15	6.08	-58.15
CC(CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013800007	0	53	0.0	-69.28	389.47	5.44	-63.84
CC(C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013800007	1	53	0.0	-67.26	387.32	5.45	-61.81
CC(CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013800008	0	56	0.0	-73.95	415.42	5.84	-68.11
CC(C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013800008	1	56	0.0	-75.28	411.50	5.76	-69.52
CC(CN1CC[NH+](C)CC1)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013800009	0	53	0.0	-66.58	387.46	6.46	-60.12
CC(CN1CC[NH+](C)CC1)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013800010	0	54	0.0	-76.66	404.02	5.88	-70.78
CC(CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013800011	0	53	0.0	-67.29	394.68	5.04	-62.25
CC(C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013800011	1	53	0.0	-71.66	392.63	5.07	-66.59
CC(CN1CC[NH+](C)CC1)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013800012	0	53	0.0	-64.06	388.50	5.43	-58.63
CC(C[NH+]1CCN(C)CC1)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013800012	1	53	0.0	-66.46	388.76	5.51	-60.95
CC(CN1CC[NH+](C)CC1)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013800013	0	54	0.0	-65.43	397.61	3.69	-61.74
CC(C[NH+]1CCN(C)CC1)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013800013	1	54	0.0	-60.27	395.12	3.68	-56.59
CC(CN1CC[NH+](C)CC1)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013800014	0	51	0.0	-66.24	381.48	2.54	-63.70
CC(C[NH+]1CCN(C)CC1)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013800014	1	51	0.0	-57.43	379.92	2.64	-54.79
CC(CN1CC[NH+](C)CC1)NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013800015	0	62	0.0	-73.48	465.51	7.72	-65.76
CC(C[NH+]1CCN(C)CC1)NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013800015	1	62	0.0	-76.14	465.71	7.79	-68.35
CC(CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013800016	0	48	0.0	-71.59	371.90	4.61	-66.98
CC(C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013800016	1	48	0.0	-70.63	369.40	4.59	-66.04
CC(CN1CC[NH+](C)CC1)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013800017	0	54	0.0	-64.84	397.92	6.54	-58.30
CC(CN1CC[NH+](C)CC1)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013800018	0	50	0.0	-69.97	388.28	5.54	-64.43
CC(CN1CC[NH+](C)CC1)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013800019	0	51	0.0	-74.58	374.89	4.94	-69.64
COC1CC(C(=O)[O-])CN(C(=O)NC(C)CN2CC[NH+](C)CC2)C1	REAL300013800020	0	54	0.0	-73.16	399.84	4.70	-68.46
CC(CN1CC[NH+](C)CC1)NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013800021	0	48	0.0	-75.93	371.04	4.57	-71.36
CC(C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013800021	1	48	0.0	-77.46	368.57	4.58	-72.88
CC(CCC(=O)[O-])NC(=O)NC(C)CN1CC[NH+](C)CC1	REAL300013800022	0	49	0.0	-61.00	372.29	4.23	-56.77
CC(CCC(=O)[O-])NC(=O)NC(C)C[NH+]1CCN(C)CC1	REAL300013800022	1	49	0.0	-65.51	372.43	4.28	-61.23
O=C([O-])C1CCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)CC1	REAL300013800023	0	55	0.0	-74.86	422.87	11.25	-63.61
O=C([O-])C1CN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)CCO1	REAL300013800024	0	53	0.0	-81.18	415.76	9.74	-71.44
O=C([O-])CCCCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300013800025	0	54	0.0	-78.35	430.43	9.49	-68.86
O=C([O-])CCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300013800026	0	48	0.0	-75.53	387.43	7.92	-67.61
O=C([O-])CCCCCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300013800027	0	57	0.0	-76.58	451.93	10.27	-66.31
CC(C)(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013800028	0	54	0.0	-78.81	422.29	9.39	-69.42
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C1	REAL300013800029	0	55	0.0	-78.06	429.78	10.75	-67.31
O=C([O-])CCCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300013800030	0	51	0.0	-72.43	408.93	8.71	-63.72
CC(C)(CCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013800031	0	57	0.0	-73.20	441.63	9.59	-63.61
CC(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013800032	0	51	0.0	-76.73	405.10	8.65	-68.08
CC(C)C(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013800033	0	57	0.0	-66.05	439.47	9.97	-56.08
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C1	REAL300013800034	0	55	0.0	-69.02	430.34	10.06	-58.96
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)CCC1	REAL300013800035	0	55	0.0	-64.84	429.56	10.13	-54.71
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C1	REAL300013800036	0	52	0.0	-72.23	414.04	9.37	-62.86
O=C([O-])[C@@H]1CCCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C1	REAL300013800037	0	55	0.0	-81.28	422.62	11.22	-70.06
O=C([O-])[C@H]1CCCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C1	REAL300013800038	0	55	0.0	-61.44	424.18	11.33	-50.11
O=C([O-])C1CC(NC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C1	REAL300013800039	0	52	0.0	-72.68	414.55	9.34	-63.34
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C1	REAL300013800040	0	52	0.0	-74.35	414.25	9.42	-64.93
CCC(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013800041	0	54	0.0	-65.99	423.01	9.59	-56.40
CN(CCCC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300013800042	0	54	0.0	-79.06	426.56	11.10	-67.96
O=C([O-])C12CC(NC(=O)NCC3CC[NH+](CC4=CC=CC=C4Cl)CC3)(C1)C2	REAL300013800043	0	53	0.0	-80.58	424.14	9.50	-71.08
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1CC[NH+](CC3=CC=CC=C3Cl)CC1)C2	REAL300013800044	0	53	0.0	-72.75	425.59	10.10	-62.65
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)CC1	REAL300013800045	0	52	0.0	-63.29	414.72	9.71	-53.58
O=C([O-])C1CN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C1	REAL300013800046	0	49	0.0	-68.54	395.17	9.48	-59.06
O=C([O-])C1CCN(C(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C1	REAL300013800047	0	52	0.0	-76.84	409.81	10.33	-66.51
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1CC[NH+](CC3=CC=CC=C3Cl)CC1)C2	REAL300013800048	0	53	0.0	-79.66	425.36	10.06	-69.60
CC(CCC(=O)[O-])NC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300013800049	0	54	0.0	-70.33	428.69	9.72	-60.61
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])CC3)C=C2F)CC1	REAL300013800050	0	57	0.0	-77.43	431.39	9.00	-68.43
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCOC(C(=O)[O-])C3)C=C2F)CC1	REAL300013800051	0	55	0.0	-68.35	424.53	7.46	-60.89
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C2F)CC1	REAL300013800052	0	56	0.0	-79.23	439.22	7.30	-71.93
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCC(=O)[O-])C=C2F)CC1	REAL300013800053	0	50	0.0	-76.91	396.23	5.73	-71.18
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2F)CC1	REAL300013800054	0	59	0.0	-77.64	460.72	8.09	-69.55
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2F)CC1	REAL300013800055	0	56	0.0	-79.49	431.08	7.20	-72.29
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])C3)C=C2F)CC1	REAL300013800056	0	57	0.0	-84.10	435.72	8.64	-75.46
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2F)CC1	REAL300013800057	0	53	0.0	-74.00	417.73	6.52	-67.48
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2F)CC1	REAL300013800058	0	59	0.0	-74.55	451.01	7.41	-67.14
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=C2F)CC1	REAL300013800059	0	53	0.0	-78.22	414.77	6.49	-71.73
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C=C2F)CC1	REAL300013800060	0	59	0.0	-71.91	447.25	7.81	-64.10
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2F)CC1	REAL300013800061	0	57	0.0	-73.92	439.42	7.81	-66.11
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCC3)C=C2F)CC1	REAL300013800062	0	57	0.0	-68.45	438.21	7.87	-60.58
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2F)CC1	REAL300013800063	0	54	0.0	-74.02	423.17	7.09	-66.93
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2F)CC1	REAL300013800064	0	57	0.0	-66.01	431.67	8.99	-57.02
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2F)CC1	REAL300013800065	0	57	0.0	-81.50	432.22	9.03	-72.47
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3CC(C(=O)[O-])C3)C=C2F)CC1	REAL300013800066	0	54	0.0	-74.12	423.20	7.08	-67.04
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2F)CC1	REAL300013800067	0	54	0.0	-76.63	422.75	7.14	-69.49
CCC(CNC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)C(F)=C1)C(=O)[O-]	REAL300013800068	0	56	0.0	-70.38	436.73	7.19	-63.19
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=C2F)CC1	REAL300013800069	0	56	0.0	-79.37	435.35	8.93	-70.44
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2F)CC1	REAL300013800070	0	55	0.0	-81.05	432.94	7.32	-73.73
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2F)CC1	REAL300013800071	0	55	0.0	-76.26	434.35	7.82	-68.44
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CC3)C=C2F)CC1	REAL300013800072	0	54	0.0	-69.38	423.37	7.47	-61.91
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CC(C(=O)[O-])C3)C=C2F)CC1	REAL300013800073	0	51	0.0	-70.82	403.97	7.30	-63.52
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C3)C=C2F)CC1	REAL300013800074	0	54	0.0	-77.78	418.86	8.09	-69.69
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2F)CC1	REAL300013800075	0	55	0.0	-80.94	433.97	7.83	-73.11
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)CCC(=O)[O-])C=C2F)CC1	REAL300013800076	0	56	0.0	-73.89	437.48	7.54	-66.35
CCN(C)C1=CC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013800108	1	53	0.0	-35.48	405.17	6.84	-28.64
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(C3=CC=C(F)C=C3F)C2)CC1	REAL300013800184	1	51	0.0	-39.26	400.20	6.30	-32.96
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013800295	1	45	0.0	-40.27	350.66	7.12	-33.15
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013800327	1	45	0.0	-35.95	350.64	7.12	-28.83
O=C([O-])CCCCNC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013800351	0	56	0.0	-83.95	446.01	7.62	-76.33
O=C([O-])CCNC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013800352	0	50	0.0	-80.75	403.01	6.04	-74.71
CC(C)(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013800353	0	56	0.0	-83.95	438.45	7.50	-76.45
O=C([O-])CCCNC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013800354	0	53	0.0	-78.63	424.51	6.83	-71.80
CC(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013800355	0	53	0.0	-82.17	421.56	6.79	-75.38
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013800356	0	54	0.0	-79.24	429.96	7.39	-71.85
O=C([O-])C1CC(NC(=O)NCCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013800357	0	54	0.0	-79.03	429.59	7.39	-71.64
O=C([O-])[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013800358	0	54	0.0	-81.28	429.50	7.44	-73.84
CCC(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013800359	0	56	0.0	-73.79	443.51	7.50	-66.29
CN(CCCC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013800360	0	56	0.0	-83.06	442.14	9.22	-73.84
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)CC1	REAL300013800361	0	54	0.0	-69.03	429.80	7.66	-61.37
O=C([O-])C1CN(C(=O)NCCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013800362	0	51	0.0	-74.81	410.54	7.69	-67.12
O=C([O-])C1CCN(C(=O)NCCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013800363	0	54	0.0	-82.39	425.64	8.41	-73.98
CC(CCC(=O)[O-])NC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013800364	0	56	0.0	-76.79	444.27	7.84	-68.95
O=C([O-])C[NH+]1CCC(NC(=O)NCCS(=O)(=O)N2CCSCC2)CC1	REAL300013800396	1	51	0.0	-46.14	412.43	3.14	-43.00
N#CCN1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013800451	1	48	0.0	-41.66	370.25	3.87	-37.79
CC1=CC(C)=CC(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013800515	1	51	0.0	-36.05	393.49	8.44	-27.61
CC1=NOC(C)=C1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013800602	1	47	0.0	-41.65	371.78	5.82	-35.83
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NC(C2=CC=CC=C2)=CS1	REAL300013800669	1	51	0.0	-39.13	415.38	7.84	-31.29
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC3=CC=CC=C32)CC1	REAL300013800761	1	48	0.0	-36.51	375.99	8.37	-28.14
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2SC2=CC=CC=C2)CC1	REAL300013800831	1	53	0.0	-37.52	428.38	10.10	-27.42
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2=CNC3=CC=CC=C23)CC1	REAL300013800894	1	52	0.0	-39.37	408.07	7.88	-31.49
CC1CCCC(C)[NH+]1CCNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013800937	0	51	0.0	-67.07	360.78	7.75	-59.32
CC1CCCC(C)[NH+]1CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013800938	0	51	0.0	-72.41	381.95	7.38	-65.03
CC1CCCC(C)[NH+]1CCNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013800939	0	49	0.0	-57.72	350.87	6.23	-51.49
CC1CCCC(C)[NH+]1CCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013800940	0	54	0.0	-62.77	380.15	7.51	-55.26
CC1CCCC(C)[NH+]1CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013800941	0	51	0.0	-71.52	381.97	7.37	-64.15
CC1CCCC(C)[NH+]1CCNC(=O)NCCCCCC(=O)[O-]	REAL300013800942	0	53	0.0	-70.28	389.91	6.84	-63.44
CC1CCCC(C)[NH+]1CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013800943	0	61	0.0	-69.75	433.50	10.93	-58.82
CC1CCCC(C)[NH+]1CCNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013800944	0	51	0.0	-71.40	362.20	7.40	-64.00
CC1CC(C(=O)[O-])CN(C(=O)NCC[NH+]2C(C)CCCC2C)C1	REAL300013800945	0	54	0.0	-72.83	379.02	8.33	-64.50
CC1CCCC(C)[NH+]1CCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013800946	0	54	0.0	-70.51	374.74	8.06	-62.45
CC1CCN(C(=O)NCC[NH+]2C(C)CCCC2C)CC1C(=O)[O-]	REAL300013800947	0	54	0.0	-72.05	373.30	8.20	-63.85
CC1CCCC(C)[NH+]1CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013800948	0	55	0.0	-58.72	384.29	5.44	-53.28
CC1CCCC(C)[NH+]1CCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013800949	0	53	0.0	-66.92	379.98	6.16	-60.76
CCC(CC)(CNC(=O)NCC[NH+]1C(C)CCCC1C)C(=O)[O-]	REAL300013800950	0	56	0.0	-57.06	387.80	7.13	-49.93
CC(C)C(CNC(=O)NCC[NH+]1C(C)CCCC1C)C(=O)[O-]	REAL300013800951	0	53	0.0	-58.24	376.36	6.56	-51.68
CC(NC(=O)NCC[NH+]1C(C)CCCC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013800952	0	60	0.0	-73.23	420.81	7.88	-65.35
CC1CCCC(C)[NH+]1CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013800953	0	57	0.0	-57.13	408.93	8.73	-48.40
CC1CCCC(C)[NH+]1CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013800954	0	51	0.0	-62.87	365.62	6.54	-56.33
CC1CCCC(C)[NH+]1CCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013800955	0	57	0.0	-69.38	401.63	9.22	-60.16
CC1CCCC(C)[NH+]1CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013800956	0	53	0.0	-67.78	375.43	6.03	-61.75
CC1CCCC(C)[NH+]1CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013800957	0	54	0.0	-58.45	382.66	7.33	-51.12
CC1CN(C(=O)NCC[NH+]2C(C)CCCC2C)CCC1C(=O)[O-]	REAL300013800958	0	54	0.0	-66.43	370.77	8.47	-57.96
CC1CCCC(C)[NH+]1CCNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013800959	0	51	0.0	-56.55	364.68	6.63	-49.92
CC1CCCC(C)[NH+]1CCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013800960	0	54	0.0	-68.10	390.14	7.32	-60.78
CC1CCCC(C)[NH+]1CCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013800961	0	54	0.0	-70.51	374.74	8.06	-62.45
CC(C)C[C@H](CNC(=O)NCC[NH+]1C(C)CCCC1C)CC(=O)[O-]	REAL300013800962	0	59	0.0	-62.76	415.77	7.93	-54.83
CC1CCCC(C)[NH+]1CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013800963	0	51	0.0	-63.22	375.58	7.48	-55.74
COCC1(C(=O)[O-])CCN(C(=O)NCC[NH+]2C(C)CCCC2C)C1	REAL300013800964	0	55	0.0	-70.29	395.92	6.46	-63.83
CC1CCCC(C)[NH+]1CCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013800965	0	56	0.0	-68.50	397.59	4.95	-63.55
CC1CCCC(C)[NH+]1CCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013800966	0	61	0.0	-75.12	440.85	9.04	-66.08
CC1CCCC(C)[NH+]1CCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013800967	0	51	0.0	-54.45	360.83	7.73	-46.72
CC1CCCC(C)[NH+]1CCNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013800968	0	51	0.0	-55.83	358.58	7.80	-48.03
CC1CCCC(C)[NH+]1CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013800969	0	51	0.0	-71.52	381.97	7.37	-64.15
CC1CCCC(C)[NH+]1CCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013800970	0	57	0.0	-73.10	392.45	9.16	-63.94
CC1CCCC(C)[NH+]1CCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013800971	0	59	0.0	-72.30	432.91	8.40	-63.90
CC1CCCC(C)[NH+]1CCNC(=O)NCCCCCCC(=O)[O-]	REAL300013800972	0	56	0.0	-73.10	411.41	7.62	-65.48
CC1CCCC(C)[NH+]1CCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013800973	0	54	0.0	-73.81	373.53	8.53	-65.28
COCC1(C(=O)[O-])CCCN(C(=O)NCC[NH+]2C(C)CCCC2C)C1	REAL300013800974	0	58	0.0	-76.75	404.26	8.30	-68.45
COCCN(CCC(=O)[O-])C(=O)NCC[NH+]1C(C)CCCC1C	REAL300013800975	0	54	0.0	-53.20	396.23	7.04	-46.16
CC1CCCC(C)[NH+]1CCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013800976	0	57	0.0	-72.96	399.05	9.23	-63.73
CC1CCCC(C)[NH+]1CCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013800977	0	55	0.0	-71.73	391.20	10.51	-61.22
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC[NH+]2C(C)CCCC2C)CCO1	REAL300013800978	0	62	0.0	-63.79	446.32	8.40	-55.39
CC1CCCC(C)[NH+]1CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013800979	0	52	0.0	-64.55	374.13	6.51	-58.04
CC1CCC(C(=O)[O-])CN1C(=O)NCC[NH+]1C(C)CCCC1C	REAL300013800980	0	54	0.0	-54.50	373.59	8.31	-46.19
CC1CCCC(C)[NH+]1CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013800981	0	58	0.0	-61.58	424.66	10.38	-51.20
CC1CCCC(C)[NH+]1CCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013800982	0	52	0.0	-70.08	368.27	5.34	-64.74
CC1CCCC(C)[NH+]1CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013800983	0	55	0.0	-67.79	400.15	8.39	-59.40
CC1CCCC(C)[NH+]1CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013800984	0	58	0.0	-77.65	410.29	7.62	-70.03
COCC1(C(=O)[O-])CCN(C(=O)NCC[NH+]2C(C)CCCC2C)CC1	REAL300013800985	0	58	0.0	-73.64	406.49	7.19	-66.45
CC1CCCC(C)[NH+]1CCNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013800986	0	49	0.0	-73.37	362.71	6.08	-67.29
CC1CCCC(C)[NH+]1CCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013800987	0	60	0.0	-62.61	405.16	8.05	-54.56
CC1CCCC(C)[NH+]1CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013800988	0	54	0.0	-62.87	380.18	7.52	-55.35
CC1CCCC(C)[NH+]1CCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013800989	0	57	0.0	-71.74	406.34	7.77	-63.97
CC1CCCC(C)[NH+]1CCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013800990	0	54	0.0	-63.09	379.31	8.44	-54.65
CC1CCCC(C)[NH+]1CCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013800991	0	55	0.0	-71.52	395.85	7.84	-63.68
CC1CCCC(C)[NH+]1CCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013800992	0	54	0.0	-67.53	386.78	7.07	-60.46
CC1CCCC(C)[NH+]1CCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013800993	0	54	0.0	-67.02	384.08	7.06	-59.96
CC1CCCC(C)[NH+]1CCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013800994	0	55	0.0	-61.56	389.10	5.93	-55.63
CC1CCCC(C)[NH+]1CCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013800995	0	52	0.0	-57.74	371.35	4.61	-53.13
CC1CCCC(C)[NH+]1CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013800996	0	63	0.0	-71.88	457.23	9.76	-62.12
CC1CCCC(C)[NH+]1CCNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013800997	0	49	0.0	-66.39	360.92	6.47	-59.92
CC1CCCC(C)[NH+]1CCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013800998	0	55	0.0	-60.20	386.46	8.54	-51.66
CC1CCCC(C)[NH+]1CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013800999	0	51	0.0	-62.58	378.14	7.62	-54.96
CC1CCCC(C)[NH+]1CCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013801000	0	52	0.0	-74.01	365.76	7.00	-67.01
COC1CC(C(=O)[O-])CN(C(=O)NCC[NH+]2C(C)CCCC2C)C1	REAL300013801001	0	55	0.0	-56.28	388.93	6.84	-49.44
CC1CCCC(C)[NH+]1CCNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013801002	0	49	0.0	-73.06	363.42	6.60	-66.46
O=C([O-])C[NH+]1CCC(NC(=O)NC(COC2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300013801034	1	56	0.0	-37.01	439.52	10.08	-26.93
CCCOC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013801100	1	51	0.0	-37.88	403.54	4.69	-33.19
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013801143	0	55	0.0	-69.80	388.10	7.22	-62.58
COC1CC[NH+](C(C)(C)CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013801144	0	55	0.0	-74.74	412.49	6.86	-67.88
COC1CC[NH+](C(C)(C)CNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013801145	0	53	0.0	-76.16	381.56	5.69	-70.47
COC1CC[NH+](C(C)(C)CNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013801146	0	58	0.0	-76.22	415.11	6.54	-69.68
COC1CC[NH+](C(C)(C)CNC(=O)NCCCCC(=O)[O-])CC1	REAL300013801147	0	54	0.0	-73.79	395.88	5.54	-68.25
COC1CC[NH+](C(C)(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013801148	0	55	0.0	-72.64	412.50	6.84	-65.80
COC1CC[NH+](C(C)(C)CNC(=O)NCCC(=O)[O-])CC1	REAL300013801149	0	48	0.0	-69.82	352.88	3.96	-65.86
COC1CC[NH+](C(C)(C)CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013801150	0	57	0.0	-72.50	417.38	6.32	-66.18
COC1CC[NH+](C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013801151	0	54	0.0	-73.53	388.32	5.42	-68.11
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013801152	0	55	0.0	-71.99	392.00	6.82	-65.17
COC1CC[NH+](C(C)(C)CNC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013801153	0	58	0.0	-55.90	410.17	7.78	-48.12
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013801154	0	58	0.0	-69.83	401.48	7.47	-62.36
COC1CC[NH+](C(C)(C)CNC(=O)NCCCC(=O)[O-])CC1	REAL300013801155	0	51	0.0	-67.68	374.38	4.76	-62.92
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013801156	0	58	0.0	-75.72	404.53	7.63	-68.09
COC1CC[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013801157	0	59	0.0	-58.84	414.81	4.91	-53.93
COC1CC[NH+](C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013801158	0	57	0.0	-68.81	407.08	5.63	-63.18
CCC(CC)(CNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C(=O)[O-]	REAL300013801159	0	60	0.0	-61.34	419.97	6.44	-54.90
COC1CC[NH+](C(C)(C)CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013801160	0	51	0.0	-71.24	370.55	4.70	-66.54
COC1CC[NH+](C(C)(C)CNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013801161	0	57	0.0	-62.05	410.17	5.90	-56.15
COC1CC[NH+](C(C)(C)CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013801162	0	64	0.0	-74.95	451.59	7.85	-67.10
COC1CC[NH+](C(C)(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013801163	0	61	0.0	-60.35	443.59	8.06	-52.29
COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013801164	0	55	0.0	-67.48	396.44	6.03	-61.45
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013801165	0	61	0.0	-73.95	428.89	8.68	-65.27
COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013801166	0	57	0.0	-71.20	406.02	5.52	-65.68
COC1CC[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013801167	0	58	0.0	-58.48	413.18	6.79	-51.69
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013801168	0	58	0.0	-71.93	401.72	7.94	-63.99
COC1CC[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013801169	0	55	0.0	-56.75	396.10	5.96	-50.79
COC1CC[NH+](C(C)(C)CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013801170	0	58	0.0	-71.48	420.08	6.70	-64.78
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013801171	0	58	0.0	-69.83	401.48	7.47	-62.36
COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013801172	0	63	0.0	-67.41	440.60	7.10	-60.31
COC1CC[NH+](C(C)(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013801173	0	55	0.0	-63.08	406.10	6.96	-56.12
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1	REAL300013801174	0	59	0.0	-77.00	423.95	6.70	-70.30
COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013801175	0	52	0.0	-67.93	379.51	5.32	-62.61
COC1CC[NH+](C(C)(C)CNC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013801176	0	60	0.0	-71.46	428.36	4.41	-67.05
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013801177	0	55	0.0	-55.29	388.69	7.21	-48.08
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013801178	0	55	0.0	-57.17	389.75	7.23	-49.94
COC1CC[NH+](C(C)(C)CNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013801179	0	52	0.0	-68.13	379.80	5.31	-62.82
COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013801180	0	52	0.0	-70.82	379.34	5.37	-65.45
COC1CC[NH+](C(C)(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013801181	0	55	0.0	-72.64	412.50	6.84	-65.80
CCC(CNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C(=O)[O-]	REAL300013801182	0	54	0.0	-61.58	393.38	5.42	-56.16
COC1CC[NH+](C(C)(C)CNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013801183	0	61	0.0	-77.75	422.77	8.60	-69.15
COC1CC[NH+](C(C)(C)CNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013801184	0	63	0.0	-74.79	460.37	7.88	-66.91
COC1CC[NH+](C(C)(C)CNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013801185	0	60	0.0	-75.76	438.87	7.10	-68.66
COC1CC[NH+](C(C)(C)CNC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013801186	0	54	0.0	-72.17	392.01	7.14	-65.03
COC1CC[NH+](C(C)(C)CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013801187	0	58	0.0	-77.67	404.07	8.00	-69.67
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1	REAL300013801188	0	62	0.0	-81.45	436.29	7.14	-74.31
COCCN(CCC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1	REAL300013801189	0	58	0.0	-53.77	423.69	6.50	-47.27
COC1CC[NH+](C(C)(C)CNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013801190	0	61	0.0	-61.61	429.51	8.65	-52.96
COC1CC[NH+](C(C)(C)CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013801191	0	59	0.0	-77.32	421.86	10.00	-67.32
COC1CC[NH+](C(C)(C)CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013801192	0	56	0.0	-70.71	401.34	6.01	-64.70
COC1CC[NH+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013801193	0	58	0.0	-54.29	403.25	7.78	-46.51
COC1CC[NH+](C(C)(C)CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013801194	0	56	0.0	-73.38	398.82	4.79	-68.59
COC1CC[NH+](C(C)(C)CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013801195	0	59	0.0	-70.09	432.88	7.99	-62.10
COC1CC[NH+](C(C)(C)CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013801196	0	62	0.0	-83.24	440.79	7.07	-76.17
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1	REAL300013801197	0	62	0.0	-74.25	432.96	7.28	-66.97
COC1CC[NH+](C(C)(C)CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013801198	0	53	0.0	-75.66	389.93	5.54	-70.12
COC1CC[NH+](C(C)(C)CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013801199	0	64	0.0	-67.98	435.60	7.55	-60.43
COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013801200	0	58	0.0	-64.26	409.37	6.93	-57.33
COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013801201	0	61	0.0	-74.65	434.71	7.25	-67.40
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013801202	0	58	0.0	-73.68	406.58	7.90	-65.78
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013801203	0	59	0.0	-73.82	423.15	7.31	-66.51
COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013801204	0	58	0.0	-69.03	415.11	6.54	-62.49
COC1CC[NH+](C(C)(C)CNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013801205	0	58	0.0	-68.64	414.60	6.53	-62.11
COC1CC[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013801206	0	59	0.0	-63.50	419.79	5.39	-58.11
COC1CC[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013801207	0	56	0.0	-59.78	401.87	4.08	-55.70
COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013801208	0	53	0.0	-68.93	391.01	6.05	-62.88
COC1CC[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013801209	0	52	0.0	-54.71	380.01	5.57	-49.14
COC1CC[NH+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013801210	0	59	0.0	-61.13	416.99	8.00	-53.13
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013801211	0	55	0.0	-67.63	408.63	7.11	-60.52
COC1CC[NH+](C(C)(C)CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013801212	0	56	0.0	-76.94	397.05	6.46	-70.48
COC1CC[NH+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013801213	0	49	0.0	-63.24	360.75	5.60	-57.64
COC1CC[NH+](C(C)(C)CNC(=O)N2CC(OC)CC(C(=O)[O-])C2)CC1	REAL300013801214	0	59	0.0	-57.61	420.14	6.28	-51.33
COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013801215	0	52	0.0	-71.45	375.84	6.31	-65.14
COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013801216	0	53	0.0	-75.49	390.61	6.05	-69.44
COC1CC[NH+](C(C)(C)CNC(=O)NC(C)CCC(=O)[O-])CC1	REAL300013801217	0	54	0.0	-65.87	394.13	5.77	-60.10
COC1CC[NH+](C2(CNC(=O)N3CCC(C(=O)[O-])CC3)CCCC2)CC1	REAL300013801218	0	59	0.0	-68.54	415.05	8.55	-59.99
COC1CC[NH+](C2(CNC(=O)NCC3=CC=C(C(=O)[O-])C=C3)CCCC2)CC1	REAL300013801219	0	59	0.0	-74.52	433.93	7.87	-66.65
COC1CC[NH+](C2(CNC(=O)N3CCOC(C(=O)[O-])C3)CCCC2)CC1	REAL300013801220	0	57	0.0	-57.76	406.54	6.91	-50.85
COC1CC[NH+](C2(CNC(=O)NC3CCC(C(=O)[O-])CC3)CCCC2)CC1	REAL300013801221	0	62	0.0	-76.61	440.26	7.79	-68.82
COC1CC[NH+](C2(CNC(=O)NCCCCC(=O)[O-])CCCC2)CC1	REAL300013801222	0	58	0.0	-73.33	417.67	6.55	-66.78
COC1CC[NH+](C2(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)CCCC2)CC1	REAL300013801223	0	59	0.0	-74.73	437.62	8.08	-66.65
COC1CC[NH+](C2(CNC(=O)NCCC(=O)[O-])CCCC2)CC1	REAL300013801224	0	52	0.0	-69.53	378.36	5.19	-64.34
COC1CC[NH+](C2(CNC(=O)NCCCCCC(=O)[O-])CCCC2)CC1	REAL300013801225	0	61	0.0	-72.03	439.17	7.33	-64.70
COC1CC[NH+](C2(CNC(=O)NCC(C)(C)C(=O)[O-])CCCC2)CC1	REAL300013801226	0	58	0.0	-73.29	413.21	6.66	-66.63
COC1CC[NH+](C2(CNC(=O)N3CCC(C)(C(=O)[O-])C3)CCCC2)CC1	REAL300013801227	0	59	0.0	-71.73	415.77	7.93	-63.80
COC1CC[NH+](C2(CNC(=O)N3CC(C)CC(C(=O)[O-])C3)CCCC2)CC1	REAL300013801228	0	62	0.0	-59.55	431.96	9.10	-50.45
COC1CC[NH+](C2(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)CCCC2)CC1	REAL300013801229	0	62	0.0	-70.03	424.05	8.56	-61.47
COC1CC[NH+](C2(CNC(=O)NCCCC(=O)[O-])CCCC2)CC1	REAL300013801230	0	55	0.0	-67.07	396.17	5.75	-61.32
COC1CC[NH+](C2(CNC(=O)N3CCC(C)C(C(=O)[O-])C3)CCCC2)CC1	REAL300013801231	0	62	0.0	-76.62	429.66	8.79	-67.83
COC1CC[NH+](C2(CNC(=O)NCC3(C(=O)[O-])CCOCC3)CCCC2)CC1	REAL300013801232	0	63	0.0	-61.20	439.97	6.15	-55.05
COC1CC[NH+](C2(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCC2)CC1	REAL300013801233	0	61	0.0	-68.54	432.56	6.86	-61.68
CCC(CC)(CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)C(=O)[O-]	REAL300013801234	0	64	0.0	-56.16	440.74	7.84	-48.32
COC1CC[NH+](C2(CNC(=O)NCC(C)C(=O)[O-])CCCC2)CC1	REAL300013801235	0	55	0.0	-70.70	392.35	5.70	-65.00
COC1CC[NH+](C2(CNC(=O)NCC(C(=O)[O-])C(C)C)CCCC2)CC1	REAL300013801236	0	61	0.0	-56.92	426.71	7.02	-49.90
COC1CC[NH+](C2(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCCC2)CC1	REAL300013801237	0	59	0.0	-63.98	417.59	7.01	-56.97
COC1CC[NH+](C2(CNC(=O)N3CCC(CCC(=O)[O-])CC3)CCCC2)CC1	REAL300013801238	0	65	0.0	-72.68	454.36	9.94	-62.74
COC1CC[NH+](C2(CNC(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)CCCC2)CC1	REAL300013801239	0	61	0.0	-69.32	428.08	6.39	-62.93
COC1CC[NH+](C2(CNC(=O)NCC3(C(=O)[O-])CCCC3)CCCC2)CC1	REAL300013801240	0	62	0.0	-59.59	434.71	7.83	-51.76
COC1CC[NH+](C2(CNC(=O)N3CCC(C(=O)[O-])C(C)C3)CCCC2)CC1	REAL300013801241	0	62	0.0	-68.13	426.95	9.21	-58.92
COC1CC[NH+](C2(CNC(=O)NCC3(C(=O)[O-])CCC3)CCCC2)CC1	REAL300013801242	0	59	0.0	-58.43	420.34	7.34	-51.09
COC1CC[NH+](C2(CNC(=O)NCC(CC(=O)[O-])C3CC3)CCCC2)CC1	REAL300013801243	0	62	0.0	-70.24	445.85	8.05	-62.19
COC1CC[NH+](C2(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)CCCC2)CC1	REAL300013801244	0	62	0.0	-70.03	424.05	8.56	-61.47
COC1CC[NH+](C2(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCCC2)CC1	REAL300013801245	0	67	0.0	-66.01	466.06	8.37	-57.64
COC1CC[NH+](C2(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])CCCC2)CC1	REAL300013801246	0	59	0.0	-65.58	427.54	7.97	-57.61
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)C1	REAL300013801247	0	63	0.0	-77.75	446.34	6.93	-70.82
COC1CC[NH+](C2(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CCCC2)CC1	REAL300013801248	0	56	0.0	-68.39	405.29	6.56	-61.83
COC1CC[NH+](C2(CNC(=O)NC3CCN(CC(=O)[O-])CC3)CCCC2)CC1	REAL300013801249	0	64	0.0	-70.52	449.75	5.42	-65.10
COC1CC[NH+](C2(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)CCCC2)CC1	REAL300013801250	0	59	0.0	-74.76	410.87	8.27	-66.49
COC1CC[NH+](C2(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)CCCC2)CC1	REAL300013801251	0	59	0.0	-55.04	410.43	8.32	-46.72
COC1CC[NH+](C2(CNC(=O)NC3CC(C(=O)[O-])C3)CCCC2)CC1	REAL300013801252	0	56	0.0	-68.45	405.35	6.56	-61.89
COC1CC[NH+](C2(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CCCC2)CC1	REAL300013801253	0	56	0.0	-70.48	405.17	6.60	-63.88
COC1CC[NH+](C2(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)CCCC2)CC1	REAL300013801254	0	59	0.0	-74.73	437.62	8.08	-66.65
CCC(CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)C(=O)[O-]	REAL300013801255	0	58	0.0	-60.71	415.16	6.43	-54.28
COC1CC[NH+](C2(CNC(=O)N3CCCCC3CCC(=O)[O-])CCCC2)CC1	REAL300013801256	0	65	0.0	-76.55	444.22	9.62	-66.93
COC1CC[NH+](C2(CNC(=O)NCCCCCCCC(=O)[O-])CCCC2)CC1	REAL300013801257	0	67	0.0	-74.41	482.16	8.89	-65.52
COC1CC[NH+](C2(CNC(=O)NCCCCCCC(=O)[O-])CCCC2)CC1	REAL300013801258	0	64	0.0	-75.33	460.67	8.11	-67.22
COC1CC[NH+](C2(CNC(=O)N(C)CCCC(=O)[O-])CCCC2)CC1	REAL300013801259	0	58	0.0	-71.69	417.48	8.39	-63.30
COC1CC[NH+](C2(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)CCCC2)CC1	REAL300013801260	0	62	0.0	-54.42	426.14	8.99	-45.43
COCCN(CCC(=O)[O-])C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1	REAL300013801261	0	62	0.0	-52.62	445.46	7.51	-45.11
COC1CC[NH+](C2(CNC(=O)N3CCCC(CCC(=O)[O-])C3)CCCC2)CC1	REAL300013801262	0	65	0.0	-76.57	454.76	9.92	-66.65
COC1CC[NH+](C2(CNC(=O)N3CCN(C(=O)C(=O)[O-])CC3)CCCC2)CC1	REAL300013801263	0	60	0.0	-69.29	426.46	7.14	-62.15
COC1CC[NH+](C2(CNC(=O)N3CC(C(=O)[O-])CCC3C)CCCC2)CC1	REAL300013801264	0	62	0.0	-75.50	426.55	8.81	-66.69
COC1CC[NH+](C2(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)CCCC2)CC1	REAL300013801265	0	60	0.0	-72.56	420.21	5.80	-66.76
COC1CC[NH+](C2(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)CCCC2)CC1	REAL300013801266	0	57	0.0	-76.08	415.06	6.79	-69.29
COC1CC[NH+](C2(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)CCCC2)CC1	REAL300013801267	0	62	0.0	-63.47	430.81	7.94	-55.53
COC1CC[NH+](C2(CNC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)CCCC2)CC1	REAL300013801268	0	65	0.0	-74.05	455.88	8.29	-65.76
COC1CC[NH+](C2(CNC(=O)N3CCC(CC(=O)[O-])CC3)CCCC2)CC1	REAL300013801269	0	62	0.0	-73.14	432.05	9.16	-63.98
COC1CC[NH+](C2(CNC(=O)N3CCC(OCC(=O)[O-])CC3)CCCC2)CC1	REAL300013801270	0	63	0.0	-72.97	448.65	8.58	-64.39
COC1CC[NH+](C2(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)CCCC2)CC1	REAL300013801271	0	62	0.0	-69.81	439.77	7.76	-62.05
COC1CC[NH+](C2(CNC(=O)NC3CCCC(C(=O)[O-])C3)CCCC2)CC1	REAL300013801272	0	62	0.0	-66.88	435.29	8.20	-58.68
COC1CC[NH+](C2(CNC(=O)NCC3(C(=O)[O-])CCCOC3)CCCC2)CC1	REAL300013801273	0	63	0.0	-57.77	438.50	6.11	-51.66
COC1CC[NH+](C2(CNC(=O)NCC3(C(=O)[O-])CCOC3)CCCC2)CC1	REAL300013801274	0	60	0.0	-57.78	427.03	5.32	-52.46
COC1CC[NH+](C2(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)CCCC2)CC1	REAL300013801275	0	57	0.0	-68.19	412.79	7.05	-61.14
COC1CC[NH+](C2(CNC(=O)NCC3(C(=O)[O-])CC3)CCCC2)CC1	REAL300013801276	0	56	0.0	-55.70	401.81	6.70	-49.00
COC1CC[NH+](C2(CNC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)CCCC2)CC1	REAL300013801277	0	63	0.0	-61.09	438.43	9.02	-52.07
COC1CC[NH+](C2(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)CCCC2)CC1	REAL300013801278	0	60	0.0	-76.74	422.33	7.73	-69.01
COC1CC[NH+](C2(CNC(=O)N3CC(C(=O)[O-])C3)CCCC2)CC1	REAL300013801279	0	53	0.0	-62.43	386.09	6.77	-55.66
COC1CC[NH+](C2(CNC(=O)N3CC(OC)CC(C(=O)[O-])C3)CCCC2)CC1	REAL300013801280	0	63	0.0	-72.63	443.76	7.51	-65.12
COC1CC[NH+](C2(CNC(=O)N3CCC(C(=O)[O-])C3)CCCC2)CC1	REAL300013801281	0	56	0.0	-71.07	396.93	7.31	-63.76
COC1CC[NH+](C2(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)CCCC2)CC1	REAL300013801282	0	57	0.0	-74.64	411.87	7.07	-67.57
COC1CC[NH+](C2(CNC(=O)NC(C)CCC(=O)[O-])CCCC2)CC1	REAL300013801283	0	58	0.0	-65.93	419.61	7.01	-58.92
COC1=CC(Cl)=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013801343	1	46	0.0	-36.84	378.30	6.13	-30.71
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NN=C2CCCN21	REAL300013801413	1	48	0.0	-42.06	373.95	6.45	-35.61
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(CN3CCCC3=O)=C2)CC1	REAL300013801483	1	56	0.0	-43.32	440.57	8.03	-35.29
COCC[NH+]1CCC(CNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013801518	0	52	0.0	-74.16	382.81	7.01	-67.15
COCC[NH+]1CCC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013801519	0	52	0.0	-76.59	406.89	6.64	-69.95
COCC[NH+]1CCC(CNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013801520	0	50	0.0	-80.23	375.96	5.48	-74.75
COCC[NH+]1CCC(CNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013801521	0	55	0.0	-68.08	403.78	6.72	-61.36
COCC[NH+]1CCC(CNC(=O)NCCCCC(=O)[O-])CC1	REAL300013801522	0	51	0.0	-77.06	390.63	5.31	-71.75
COCC[NH+]1CCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013801523	0	52	0.0	-76.38	406.92	6.63	-69.75
COCC[NH+]1CCC(CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013801524	0	54	0.0	-75.35	412.12	6.09	-69.26
COCC[NH+]1CCC(CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013801525	0	51	0.0	-77.56	382.48	5.21	-72.35
COCC[NH+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013801526	0	52	0.0	-76.59	389.98	6.58	-70.01
COCC[NH+]1CCC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013801527	0	55	0.0	-59.70	403.94	7.58	-52.12
COCC[NH+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013801528	0	55	0.0	-76.14	397.01	7.33	-68.81
COCC[NH+]1CCC(CNC(=O)NCCCC(=O)[O-])CC1	REAL300013801529	0	48	0.0	-71.22	369.13	4.53	-66.69
COCC[NH+]1CCC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013801530	0	55	0.0	-59.36	399.03	7.46	-51.90
COCC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013801531	0	56	0.0	-63.78	410.21	4.51	-59.27
COCC[NH+]1CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013801532	0	54	0.0	-72.06	401.83	5.40	-66.66
CCC(CC)(CNC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300013801533	0	57	0.0	-66.33	414.72	6.21	-60.12
COCC[NH+]1CCC(CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013801534	0	48	0.0	-75.43	365.30	4.48	-70.95
COCC[NH+]1CCC(CNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013801535	0	54	0.0	-67.14	404.92	5.68	-61.46
COCC[NH+]1CCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013801536	0	61	0.0	-79.76	441.83	7.10	-72.66
COCC[NH+]1CCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013801537	0	58	0.0	-67.99	438.01	7.85	-60.14
COCC[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013801538	0	52	0.0	-68.28	390.52	5.80	-62.48
COCC[NH+]1CCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013801539	0	58	0.0	-77.27	423.61	8.47	-68.80
COCC[NH+]1CCC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013801540	0	54	0.0	-75.13	400.32	5.31	-69.82
COCC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013801541	0	55	0.0	-66.79	407.58	6.58	-60.21
COCC[NH+]1CCC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013801542	0	55	0.0	-73.68	396.29	7.75	-65.93
COCC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013801543	0	52	0.0	-64.06	389.60	5.88	-58.18
COCC[NH+]1CCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013801544	0	55	0.0	-77.07	415.03	6.62	-70.45
COCC[NH+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013801545	0	55	0.0	-76.14	397.01	7.33	-68.81
COCC[NH+]1CCC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013801546	0	60	0.0	-74.60	435.68	6.92	-67.68
COCC[NH+]1CCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013801547	0	52	0.0	-71.90	400.50	6.75	-65.15
COCC[NH+]1CCC(CNC(=O)N2CCC(COC)(C(=O)[O-])C2)CC1	REAL300013801548	0	56	0.0	-79.00	420.85	5.71	-73.29
COCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013801549	0	49	0.0	-71.62	374.24	5.09	-66.53
COCC[NH+]1CCC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013801550	0	57	0.0	-74.12	422.70	4.19	-69.93
COCC[NH+]1CCC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013801551	0	52	0.0	-80.28	383.09	7.01	-73.27
COCC[NH+]1CCC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013801552	0	52	0.0	-61.39	384.29	7.06	-54.33
COCC[NH+]1CCC(CNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013801553	0	49	0.0	-71.94	374.59	5.10	-66.84
COCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013801554	0	49	0.0	-73.62	374.06	5.16	-68.46
COCC[NH+]1CCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013801555	0	52	0.0	-76.38	406.92	6.63	-69.75
CCC(CNC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300013801556	0	51	0.0	-66.61	388.13	5.20	-61.41
COCC[NH+]1CCC(CNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013801557	0	58	0.0	-84.32	417.04	8.39	-75.93
COCC[NH+]1CCC(CNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013801558	0	60	0.0	-77.47	455.12	7.66	-69.81
COCC[NH+]1CCC(CNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013801559	0	57	0.0	-78.55	433.62	6.88	-71.67
COCC[NH+]1CCC(CNC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013801560	0	51	0.0	-78.03	386.76	6.94	-71.09
COCC[NH+]1CCC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013801561	0	55	0.0	-81.65	398.84	7.75	-73.90
COCC[NH+]1CCC(CNC(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300013801562	0	59	0.0	-84.21	429.98	7.56	-76.65
COCCN(CCC(=O)[O-])C(=O)NCC1CC[NH+](CCOC)CC1	REAL300013801563	0	55	0.0	-58.10	418.44	6.29	-51.81
COCC[NH+]1CCC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013801564	0	58	0.0	-80.51	423.94	8.46	-72.05
COCC[NH+]1CCC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013801565	0	56	0.0	-84.31	416.23	9.78	-74.53
COCC[NH+]1CCC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013801566	0	53	0.0	-72.40	395.87	5.82	-66.58
COCC[NH+]1CCC(CNC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013801567	0	55	0.0	-58.62	397.72	7.58	-51.04
COCC[NH+]1CCC(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013801568	0	59	0.0	-66.98	446.10	9.56	-57.42
COCC[NH+]1CCC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013801569	0	53	0.0	-78.06	393.27	4.57	-73.49
COCC[NH+]1CCC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013801570	0	56	0.0	-74.84	429.57	7.86	-66.98
COCC[NH+]1CCC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013801571	0	59	0.0	-88.76	435.17	6.87	-81.89
COCC[NH+]1CCC(CNC(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300013801572	0	59	0.0	-78.83	427.19	7.19	-71.64
COCC[NH+]1CCC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013801573	0	50	0.0	-79.27	384.32	5.34	-73.93
COCC[NH+]1CCC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013801574	0	61	0.0	-73.14	430.37	7.30	-65.84
COCC[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013801575	0	55	0.0	-69.02	403.80	6.71	-62.31
COCC[NH+]1CCC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013801576	0	58	0.0	-76.08	427.95	7.02	-69.06
COCC[NH+]1CCC(CNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013801577	0	55	0.0	-76.98	401.30	7.69	-69.29
COCC[NH+]1CCC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013801578	0	56	0.0	-77.41	417.87	7.10	-70.31
COCC[NH+]1CCC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013801579	0	55	0.0	-72.45	408.97	6.33	-66.12
COCC[NH+]1CCC(CNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013801580	0	55	0.0	-72.51	408.99	6.32	-66.19
COCC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013801581	0	56	0.0	-64.39	411.46	4.91	-59.48
COCC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013801582	0	53	0.0	-64.98	396.27	3.87	-61.11
COCC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013801583	0	50	0.0	-71.81	385.76	5.82	-65.99
COCC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013801584	0	49	0.0	-61.79	374.41	5.36	-56.43
COCC[NH+]1CCC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013801585	0	56	0.0	-65.50	411.41	7.80	-57.70
COCC[NH+]1CCC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013801586	0	52	0.0	-69.17	403.62	6.87	-62.30
COCC[NH+]1CCC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013801587	0	53	0.0	-81.08	391.48	6.27	-74.81
COCC[NH+]1CCC(CNC(=O)N2CC(OC)CC(C(=O)[O-])C2)CC1	REAL300013801588	0	56	0.0	-62.29	414.64	6.11	-56.18
COCC[NH+]1CCC(CNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013801589	0	49	0.0	-75.89	370.27	6.11	-69.78
COCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013801590	0	50	0.0	-78.63	385.03	5.84	-72.79
COCC[NH+]1CCC(CNC(=O)NC(C)CCC(=O)[O-])CC1	REAL300013801591	0	51	0.0	-69.03	388.88	5.55	-63.48
CC(C)(C)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013801623	1	54	0.0	-39.18	409.34	8.59	-30.59
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)NCCCCC(=O)[O-])=C2)C1	REAL300013801667	0	58	0.0	-81.60	455.24	5.62	-75.98
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)NCCCCC(=O)[O-])=C2)C1	REAL300013801667	1	58	0.0	-75.93	448.91	5.82	-70.11
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)NCCC(=O)[O-])=C2)C1	REAL300013801668	0	52	0.0	-78.81	412.24	4.04	-74.77
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)NCCC(=O)[O-])=C2)C1	REAL300013801668	1	52	0.0	-73.02	405.91	4.25	-68.77
CC(C)(CNC(=O)NCC1=CC=CC(C[N@@H+]2CCCC(C(N)=O)C2)=C1)C(=O)[O-]	REAL300013801669	0	58	0.0	-75.84	441.35	5.70	-70.14
CC(C)(CNC(=O)NCC1=CC=CC(C[N@H+]2CCCC(C(N)=O)C2)=C1)C(=O)[O-]	REAL300013801669	1	58	0.0	-81.64	447.09	5.51	-76.13
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)NCCCC(=O)[O-])=C2)C1	REAL300013801670	0	55	0.0	-76.46	433.74	4.84	-71.62
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)NCCCC(=O)[O-])=C2)C1	REAL300013801670	1	55	0.0	-70.79	427.41	5.04	-65.75
CC(CNC(=O)NCC1=CC=CC(C[N@@H+]2CCCC(C(N)=O)C2)=C1)C(=O)[O-]	REAL300013801671	0	55	0.0	-74.54	424.46	5.00	-69.54
CC(CNC(=O)NCC1=CC=CC(C[N@H+]2CCCC(C(N)=O)C2)=C1)C(=O)[O-]	REAL300013801671	1	55	0.0	-80.06	429.91	4.78	-75.28
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)C1	REAL300013801672	0	56	0.0	-77.71	439.14	5.41	-72.30
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)C1	REAL300013801672	1	56	0.0	-77.71	439.07	5.42	-72.29
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)NC3CC(C(=O)[O-])C3)=C2)C1	REAL300013801673	0	56	0.0	-76.24	439.05	5.42	-70.82
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)NC3CC(C(=O)[O-])C3)=C2)C1	REAL300013801673	1	56	0.0	-73.85	432.35	5.66	-68.19
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2)C1	REAL300013801674	0	56	0.0	-79.35	438.68	5.46	-73.89
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2)C1	REAL300013801674	1	56	0.0	-73.88	432.35	5.66	-68.22
CCC(CNC(=O)NCC1=CC=CC(C[N@@H+]2CCCC(C(N)=O)C2)=C1)C(=O)[O-]	REAL300013801675	0	58	0.0	-62.60	441.40	5.81	-56.79
CCC(CNC(=O)NCC1=CC=CC(C[N@H+]2CCCC(C(N)=O)C2)=C1)C(=O)[O-]	REAL300013801675	1	58	0.0	-69.46	447.73	5.61	-63.85
CN(CCCC(=O)[O-])C(=O)NCC1=CC=CC(C[N@@H+]2CCCC(C(N)=O)C2)=C1	REAL300013801676	0	58	0.0	-81.79	445.04	7.44	-74.35
CN(CCCC(=O)[O-])C(=O)NCC1=CC=CC(C[N@H+]2CCCC(C(N)=O)C2)=C1	REAL300013801676	1	58	0.0	-80.27	451.26	7.26	-73.01
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CC3)=C2)C1	REAL300013801677	0	56	0.0	-72.23	442.93	5.53	-66.70
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CC3)=C2)C1	REAL300013801677	1	56	0.0	-71.16	436.72	5.71	-65.45
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)N3CC(C(=O)[O-])C3)=C2)C1	REAL300013801678	0	53	0.0	-66.98	413.01	5.82	-61.16
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)N3CC(C(=O)[O-])C3)=C2)C1	REAL300013801678	1	53	0.0	-70.52	413.63	5.81	-64.71
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)N3CCC(C(=O)[O-])C3)=C2)C1	REAL300013801679	0	56	0.0	-79.61	434.50	6.40	-73.21
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)N3CCC(C(=O)[O-])C3)=C2)C1	REAL300013801679	1	56	0.0	-77.74	428.17	6.59	-71.15
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC(C[N@@H+]2CCCC(C(N)=O)C2)=C1	REAL300013801680	0	58	0.0	-73.44	447.17	6.05	-67.39
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC(C[N@H+]2CCCC(C(N)=O)C2)=C1	REAL300013801680	1	58	0.0	-73.56	453.38	5.86	-67.70
O=C([O-])C[NH+]1CCC(NC(=O)NCCCN2C(=O)CNC2=O)CC1	REAL300013801711	1	47	0.0	-43.54	376.15	1.97	-41.57
COC1=CC=CC=C1C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013801784	1	56	0.0	-38.96	435.68	10.01	-28.95
COC1=CC(OC)=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(OC)=C1	REAL300013801889	1	57	0.0	-40.04	440.43	5.09	-34.95
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCC(C3=CC=CC=C3)CC2)CC1	REAL300013802009	1	58	0.0	-40.69	432.10	10.10	-30.59
CC1CCN(C2=CC=C(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C2)CC1	REAL300013802081	1	60	0.0	-39.53	446.54	8.11	-31.42
COC1=CC=CC(C2(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)CCCC2)=C1	REAL300013802200	1	59	0.0	-36.60	436.85	9.16	-27.44
CC1=NC(C)=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013802280	1	47	0.0	-39.92	380.56	5.51	-34.41
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CN(C3=CC=CC(Cl)=C3)N=C2)CC1	REAL300013802350	1	49	0.0	-38.59	408.72	7.99	-30.60
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013802385	0	54	0.0	-71.77	387.82	9.60	-62.17
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013802385	1	54	0.0	-70.61	386.28	9.53	-61.08
CCCC[N@@H+]1CCCCC1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013802386	0	54	0.0	-74.17	410.45	9.18	-64.99
CCCC[N@H+]1CCCCC1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013802386	1	54	0.0	-73.74	410.33	9.15	-64.59
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013802387	0	52	0.0	-76.64	375.12	7.31	-69.33
CCCC[N@H+]1CCCCC1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013802387	1	52	0.0	-74.95	379.26	7.99	-66.96
CCCC[N@@H+]1CCCCC1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013802388	0	57	0.0	-75.51	407.19	8.13	-67.38
CCCC[N@H+]1CCCCC1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013802388	1	57	0.0	-63.70	402.00	8.71	-54.99
CCCC[N@@H+]1CCCCC1CNC(=O)NCCCCC(=O)[O-]	REAL300013802389	0	53	0.0	-73.28	394.19	7.86	-65.42
CCCC[N@H+]1CCCCC1CNC(=O)NCCCCC(=O)[O-]	REAL300013802389	1	53	0.0	-73.29	394.17	7.87	-65.42
CCCC[N@@H+]1CCCCC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013802390	0	54	0.0	-73.76	405.88	8.47	-65.29
CCCC[N@H+]1CCCCC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013802390	1	54	0.0	-74.02	410.35	9.15	-64.87
CCCC[N@@H+]1CCCCC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013802391	0	56	0.0	-71.80	415.69	8.64	-63.16
CCCC[N@H+]1CCCCC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013802391	1	56	0.0	-71.85	415.67	8.65	-63.20
CCCC[N@@H+]1CCCCC1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013802392	0	53	0.0	-73.05	380.69	7.20	-65.85
CCCC[N@H+]1CCCCC1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013802392	1	53	0.0	-73.16	381.30	7.19	-65.97
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013802393	0	54	0.0	-71.54	391.07	9.24	-62.30
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013802393	1	54	0.0	-75.28	390.85	9.22	-66.06
CCCC[N@@H+]1CCCCC1CNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013802394	0	57	0.0	-54.77	403.18	10.37	-44.40
CCCC[N@H+]1CCCCC1CNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013802394	1	57	0.0	-58.20	398.74	9.70	-48.50
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013802395	0	57	0.0	-70.53	394.62	9.30	-61.23
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013802395	1	57	0.0	-72.47	399.73	9.80	-62.67
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013802396	0	57	0.0	-75.72	398.31	9.33	-66.39
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013802396	1	57	0.0	-74.38	402.38	9.97	-64.41
CCCC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013802397	0	58	0.0	-58.11	412.72	7.23	-50.88
CCCC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013802397	1	58	0.0	-63.60	408.66	6.53	-57.07
CCCC[N@@H+]1CCCCC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013802398	0	56	0.0	-69.41	401.40	7.25	-62.16
CCCC[N@H+]1CCCCC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013802398	1	56	0.0	-67.55	400.06	7.41	-60.14
CCCC[N@@H+]1CCCCC1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013802399	0	59	0.0	-58.35	413.58	8.94	-49.41
CCCC[N@H+]1CCCCC1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013802399	1	59	0.0	-57.59	418.17	8.73	-48.86
CCCC[N@@H+]1CCCCC1CNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013802400	0	56	0.0	-61.56	408.48	8.24	-53.32
CCCC[N@H+]1CCCCC1CNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013802400	1	56	0.0	-56.72	403.20	8.34	-48.38
CCCC[N@@H+]1CCCCC1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013802401	0	63	0.0	-75.78	448.65	9.78	-66.00
CCCC[N@H+]1CCCCC1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013802401	1	63	0.0	-76.55	444.27	9.09	-67.46
CCCC[N@@H+]1CCCCC1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013802402	0	60	0.0	-58.13	432.29	10.06	-48.07
CCCC[N@H+]1CCCCC1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013802402	1	60	0.0	-59.87	436.23	9.86	-50.01
CCCC[N@@H+]1CCCCC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013802403	0	54	0.0	-67.17	394.03	8.35	-58.82
CCCC[N@H+]1CCCCC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013802403	1	54	0.0	-63.82	394.08	8.34	-55.48
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013802404	0	60	0.0	-74.25	427.02	10.98	-63.27
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013802404	1	60	0.0	-72.52	427.13	11.02	-61.50
CCCC[N@@H+]1CCCCC1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013802405	0	56	0.0	-71.43	398.54	7.29	-64.14
CCCC[N@H+]1CCCCC1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013802405	1	56	0.0	-68.63	404.57	7.69	-60.94
CCCC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013802406	0	57	0.0	-61.83	407.14	8.43	-53.40
CCCC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013802406	1	57	0.0	-58.69	405.83	8.58	-50.11
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013802407	0	57	0.0	-70.87	395.93	9.71	-61.16
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013802407	1	57	0.0	-68.89	402.49	9.99	-58.90
CCCC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013802408	0	54	0.0	-55.74	393.12	8.42	-47.32
CCCC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013802408	1	54	0.0	-57.49	392.78	8.41	-49.08
CCCC[N@@H+]1CCCCC1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013802409	0	57	0.0	-71.59	413.34	8.60	-62.99
CCCC[N@H+]1CCCCC1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013802409	1	57	0.0	-68.90	418.26	9.04	-59.86
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013802410	0	57	0.0	-70.53	394.62	9.30	-61.23
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013802410	1	57	0.0	-72.47	399.73	9.80	-62.67
CCCC[N@@H+]1CCCCC1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013802411	0	62	0.0	-66.85	440.75	9.00	-57.85
CCCC[N@H+]1CCCCC1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013802411	1	62	0.0	-65.35	439.02	9.46	-55.89
CCCC[N@@H+]1CCCCC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013802412	0	54	0.0	-61.52	398.71	8.74	-52.78
CCCC[N@H+]1CCCCC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013802412	1	54	0.0	-65.75	403.95	9.27	-56.48
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013802413	0	58	0.0	-73.97	424.35	8.24	-65.73
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013802413	1	58	0.0	-78.92	422.12	8.92	-70.00
CCCC[N@@H+]1CCCCC1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013802414	0	51	0.0	-67.07	378.13	7.64	-59.43
CCCC[N@H+]1CCCCC1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013802414	1	51	0.0	-69.16	373.68	6.95	-62.21
CCCC[N@@H+]1CCCCC1CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013802415	0	59	0.0	-73.53	421.67	5.99	-67.54
CCCC[N@H+]1CCCCC1CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013802415	1	59	0.0	-73.46	425.62	6.64	-66.82
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013802416	0	54	0.0	-53.23	387.30	9.56	-43.67
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013802416	1	54	0.0	-54.65	386.63	9.53	-45.12
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013802417	0	54	0.0	-54.78	387.15	9.57	-45.21
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013802417	1	54	0.0	-76.60	382.47	9.04	-67.56
CCCC[N@@H+]1CCCCC1CNC(=O)NC1CC(C(=O)[O-])C1	REAL300013802418	0	51	0.0	-69.10	377.57	7.66	-61.44
CCCC[N@H+]1CCCCC1CNC(=O)NC1CC(C(=O)[O-])C1	REAL300013802418	1	51	0.0	-69.87	377.52	7.66	-62.21
CCCC[N@@H+]1CCCCC1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013802419	0	51	0.0	-69.51	372.27	7.15	-62.36
CCCC[N@H+]1CCCCC1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013802419	1	51	0.0	-70.38	377.61	7.70	-62.68
CCCC[N@@H+]1CCCCC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013802420	0	54	0.0	-73.76	405.88	8.47	-65.29
CCCC[N@H+]1CCCCC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013802420	1	54	0.0	-74.02	410.35	9.15	-64.87
CCCC[N@@H+]1CCCCC1CNC(=O)NCC(CC)C(=O)[O-]	REAL300013802421	0	53	0.0	-62.27	387.11	7.05	-55.22
CCCC[N@H+]1CCCCC1CNC(=O)NCC(CC)C(=O)[O-]	REAL300013802421	1	53	0.0	-59.53	386.36	7.20	-52.33
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013802422	0	60	0.0	-77.43	416.25	10.26	-67.17
CCCC[N@H+]1CCCCC1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013802422	1	60	0.0	-76.99	420.90	10.95	-66.04
CCCC[N@@H+]1CCCCC1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013802423	0	62	0.0	-74.62	454.10	9.49	-65.13
CCCC[N@H+]1CCCCC1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013802423	1	62	0.0	-74.24	453.35	9.66	-64.58
CCCC[N@@H+]1CCCCC1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013802424	0	59	0.0	-75.21	437.19	9.43	-65.78
CCCC[N@H+]1CCCCC1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013802424	1	59	0.0	-75.23	437.16	9.43	-65.80
CCCC[N@@H+]1CCCCC1CNC(=O)N(C)CCCC(=O)[O-]	REAL300013802425	0	53	0.0	-74.05	386.25	8.79	-65.26
CCCC[N@H+]1CCCCC1CNC(=O)N(C)CCCC(=O)[O-]	REAL300013802425	1	53	0.0	-70.56	390.21	9.46	-61.10
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013802426	0	57	0.0	-77.31	402.45	10.30	-67.01
CCCC[N@H+]1CCCCC1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013802426	1	57	0.0	-77.17	396.70	9.77	-67.40
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013802427	0	61	0.0	-81.65	434.46	9.46	-72.19
CCCC[N@H+]1CCCCC1CNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013802427	1	61	0.0	-79.94	433.40	10.09	-69.85
CCCC[N@@H+]1CCCCC1CNC(=O)N(CCOC)CCC(=O)[O-]	REAL300013802428	0	57	0.0	-56.13	417.44	8.20	-47.93
CCCC[N@H+]1CCCCC1CNC(=O)N(CCOC)CCC(=O)[O-]	REAL300013802428	1	57	0.0	-49.55	416.62	8.28	-41.27
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013802429	0	60	0.0	-76.65	423.28	10.32	-66.33
CCCC[N@H+]1CCCCC1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013802429	1	60	0.0	-77.21	422.14	10.46	-66.75
CCCC[N@@H+]1CCCCC1CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013802430	0	58	0.0	-80.93	420.76	11.52	-69.41
CCCC[N@H+]1CCCCC1CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013802430	1	58	0.0	-71.64	423.45	11.70	-59.94
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013802431	0	55	0.0	-69.91	394.30	7.80	-62.11
CCCC[N@H+]1CCCCC1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013802431	1	55	0.0	-68.37	399.21	8.24	-60.13
CCCC[N@@H+]1CCCCC1CNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013802432	0	57	0.0	-58.15	397.14	9.41	-48.74
CCCC[N@H+]1CCCCC1CNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013802432	1	57	0.0	-51.21	397.69	9.59	-41.62
CCCC[N@@H+]1CCCCC1CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013802433	0	61	0.0	-64.94	445.66	11.48	-53.46
CCCC[N@H+]1CCCCC1CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013802433	1	61	0.0	-63.70	443.63	11.38	-52.32
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013802434	0	55	0.0	-73.45	396.70	7.10	-66.35
CCCC[N@H+]1CCCCC1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013802434	1	55	0.0	-73.91	391.41	6.57	-67.34
CCCC[N@@H+]1CCCCC1CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013802435	0	58	0.0	-68.88	427.70	10.18	-58.70
CCCC[N@H+]1CCCCC1CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013802435	1	58	0.0	-68.52	427.17	10.15	-58.37
CCCC[N@@H+]1CCCCC1CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013802436	0	61	0.0	-84.08	438.76	9.40	-74.68
CCCC[N@H+]1CCCCC1CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013802436	1	61	0.0	-80.04	438.64	9.38	-70.66
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013802437	0	61	0.0	-75.18	427.64	8.28	-66.90
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013802437	1	61	0.0	-76.39	431.93	8.97	-67.42
CCCC[N@@H+]1CCCCC1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013802438	0	52	0.0	-75.63	387.84	7.87	-67.76
CCCC[N@H+]1CCCCC1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013802438	1	52	0.0	-75.62	387.87	7.88	-67.74
CCCC[N@@H+]1CCCCC1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013802439	0	63	0.0	-66.40	429.84	9.16	-57.24
CCCC[N@H+]1CCCCC1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013802439	1	63	0.0	-72.76	429.34	9.14	-63.62
CCCC[N@@H+]1CCCCC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013802440	0	57	0.0	-62.97	407.31	9.25	-53.72
CCCC[N@H+]1CCCCC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013802440	1	57	0.0	-66.00	404.55	8.61	-57.39
CCCC[N@@H+]1CCCCC1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013802441	0	60	0.0	-72.84	431.39	9.53	-63.31
CCCC[N@H+]1CCCCC1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013802441	1	60	0.0	-72.93	431.41	9.55	-63.38
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013802442	0	57	0.0	-72.93	404.70	10.21	-62.72
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013802442	1	57	0.0	-64.17	404.81	10.24	-53.93
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013802443	0	58	0.0	-74.56	421.25	9.62	-64.94
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013802443	1	58	0.0	-74.66	421.41	9.66	-65.00
CCCC[N@@H+]1CCCCC1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013802444	0	57	0.0	-68.22	412.51	8.85	-59.37
CCCC[N@H+]1CCCCC1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013802444	1	57	0.0	-69.17	412.99	8.85	-60.32
CCCC[N@@H+]1CCCCC1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013802445	0	57	0.0	-65.53	403.32	8.76	-56.77
CCCC[N@H+]1CCCCC1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013802445	1	57	0.0	-68.95	412.45	8.83	-60.12
CCCC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013802446	0	58	0.0	-60.13	410.95	6.75	-53.38
CCCC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013802446	1	58	0.0	-61.42	410.92	6.76	-54.66
CCCC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013802447	0	55	0.0	-62.70	395.77	5.72	-56.98
CCCC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013802447	1	55	0.0	-55.78	394.46	5.87	-49.91
CCCC[N@@H+]1CCCCC1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013802448	0	52	0.0	-69.19	384.74	7.66	-61.53
CCCC[N@H+]1CCCCC1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013802448	1	52	0.0	-70.48	385.20	7.67	-62.81
CCCC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CC1	REAL300013802449	0	51	0.0	-58.99	374.14	7.33	-51.66
CCCC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CC1	REAL300013802449	1	51	0.0	-55.90	378.22	7.99	-47.91
CCCC[N@@H+]1CCCCC1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013802450	0	58	0.0	-64.78	412.08	9.71	-55.07
CCCC[N@H+]1CCCCC1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013802450	1	58	0.0	-59.01	412.69	10.25	-48.76
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013802451	0	54	0.0	-63.79	406.81	9.37	-54.42
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013802451	1	54	0.0	-65.18	406.43	9.39	-55.79
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013802452	0	55	0.0	-77.13	394.95	8.78	-68.35
CCCC[N@H+]1CCCCC1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013802452	1	55	0.0	-77.16	394.93	8.79	-68.37
CCCC[N@@H+]1CCCCC1CNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013802453	0	58	0.0	-74.87	419.47	8.52	-66.35
CCCC[N@H+]1CCCCC1CNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013802453	1	58	0.0	-75.90	414.45	7.82	-68.08
CCCC[N@@H+]1CCCCC1CNC(=O)N1CCC(C(=O)[O-])C1	REAL300013802454	0	51	0.0	-72.05	369.26	7.96	-64.09
CCCC[N@H+]1CCCCC1CNC(=O)N1CCC(C(=O)[O-])C1	REAL300013802454	1	51	0.0	-71.16	368.43	8.10	-63.06
CCCC[N@@H+]1CCCCC1CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013802455	0	52	0.0	-75.62	383.99	7.68	-67.94
CCCC[N@H+]1CCCCC1CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013802455	1	52	0.0	-75.31	384.33	7.65	-67.66
CCCC[N@@H+]1CCCCC1CNC(=O)NC(C)CCC(=O)[O-]	REAL300013802456	0	53	0.0	-66.35	388.38	7.41	-58.94
CCCC[N@H+]1CCCCC1CNC(=O)NC(C)CCC(=O)[O-]	REAL300013802456	1	53	0.0	-64.19	392.42	8.10	-56.09
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCOC3=CC=CC=C32)CC1	REAL300013802488	1	50	0.0	-39.13	380.48	6.75	-32.38
CC1(C)C[N@@H+](C2(CNC(=O)N3CCC(C(=O)[O-])CC3)CCCCC2)CCO1	REAL300013802532	0	62	0.0	-65.14	416.27	8.70	-56.44
CC1(C)C[N@H+](C2(CNC(=O)N3CCC(C(=O)[O-])CC3)CCCCC2)CCO1	REAL300013802532	1	62	0.0	-70.08	416.03	8.64	-61.44
CC1(C)C[N@@H+](C2(CNC(=O)N3CCOC(C(=O)[O-])C3)CCCCC2)CCO1	REAL300013802533	0	60	0.0	-58.58	406.24	7.88	-50.70
CC1(C)C[N@H+](C2(CNC(=O)N3CCOC(C(=O)[O-])C3)CCCCC2)CCO1	REAL300013802533	1	60	0.0	-77.29	405.96	8.00	-69.29
CC1(C)C[N@@H+](C2(CNC(=O)NC3CCC(C(=O)[O-])CC3)CCCCC2)CCO1	REAL300013802534	0	65	0.0	-76.00	443.01	8.02	-67.98
CC1(C)C[N@H+](C2(CNC(=O)NC3CCC(C(=O)[O-])CC3)CCCCC2)CCO1	REAL300013802534	1	65	0.0	-76.04	442.76	8.02	-68.02
CC1(C)C[N@@H+](C2(CNC(=O)NCCCCC(=O)[O-])CCCCC2)CCO1	REAL300013802535	0	61	0.0	-72.59	424.02	7.00	-65.59
CC1(C)C[N@H+](C2(CNC(=O)NCCCCC(=O)[O-])CCCCC2)CCO1	REAL300013802535	1	61	0.0	-73.00	423.87	6.99	-66.01
CC1(C)C[N@@H+](C2(CNC(=O)NCCC(=O)[O-])CCCCC2)CCO1	REAL300013802536	0	55	0.0	-68.24	381.02	5.42	-62.82
CC1(C)C[N@H+](C2(CNC(=O)NCCC(=O)[O-])CCCCC2)CCO1	REAL300013802536	1	55	0.0	-68.70	380.87	5.41	-63.29
CC1(C)C[N@@H+](C2(CNC(=O)NCCCCCC(=O)[O-])CCCCC2)CCO1	REAL300013802537	0	64	0.0	-71.17	445.52	7.78	-63.39
CC1(C)C[N@H+](C2(CNC(=O)NCCCCCC(=O)[O-])CCCCC2)CCO1	REAL300013802537	1	64	0.0	-71.52	445.37	7.77	-63.75
CC(C)(CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013802538	0	61	0.0	-72.66	416.31	6.86	-65.80
CC(C)(CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013802538	1	61	0.0	-72.20	416.46	6.88	-65.32
CC1(C(=O)[O-])CCN(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1	REAL300013802539	0	62	0.0	-72.17	420.37	8.32	-63.85
CC1(C(=O)[O-])CCN(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1	REAL300013802539	1	62	0.0	-72.36	417.79	9.13	-63.23
CC1CC(C(=O)[O-])CN(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1	REAL300013802540	0	65	0.0	-76.75	433.26	9.53	-67.22
CC1CC(C(=O)[O-])CN(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1	REAL300013802540	1	65	0.0	-79.00	430.12	10.27	-68.73
CC1(C)C[N@@H+](C2(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)CCCCC2)CCO1	REAL300013802541	0	65	0.0	-66.38	429.89	8.95	-57.43
CC1(C)C[N@H+](C2(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)CCCCC2)CCO1	REAL300013802541	1	65	0.0	-73.74	426.47	9.80	-63.94
CC1(C)C[N@@H+](C2(CNC(=O)NCCCC(=O)[O-])CCCCC2)CCO1	REAL300013802542	0	58	0.0	-65.88	402.52	6.22	-59.66
CC1(C)C[N@H+](C2(CNC(=O)NCCCC(=O)[O-])CCCCC2)CCO1	REAL300013802542	1	58	0.0	-66.27	402.37	6.21	-60.06
CC1CCN(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC1C(=O)[O-]	REAL300013802543	0	65	0.0	-74.88	432.28	9.13	-65.75
CC1CCN(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CC1C(=O)[O-]	REAL300013802543	1	65	0.0	-54.29	430.07	9.89	-44.40
CC(C)(CCNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013802544	0	64	0.0	-67.35	435.07	7.08	-60.27
CC(C)(CCNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013802544	1	64	0.0	-66.84	435.81	7.10	-59.74
CCC(CC)(CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013802545	0	67	0.0	-58.64	445.78	8.22	-50.42
CCC(CC)(CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013802545	1	67	0.0	-59.53	448.11	7.90	-51.63
CC(CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013802546	0	58	0.0	-70.19	399.42	6.16	-64.03
CC(CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013802546	1	58	0.0	-70.43	400.38	6.21	-64.22
CC(C)C(CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013802547	0	64	0.0	-63.47	435.09	8.20	-55.27
CC(C)C(CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013802547	1	64	0.0	-57.14	438.31	7.37	-49.77
CC1(C)C[N@@H+](C2(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCCCC2)CCO1	REAL300013802548	0	62	0.0	-67.09	424.06	7.42	-59.67
CC1(C)C[N@H+](C2(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCCCC2)CCO1	REAL300013802548	1	62	0.0	-69.76	420.72	8.25	-61.51
CC1(C)C[N@@H+](C2(CNC(=O)NCC3(C(=O)[O-])CCCC3)CCCCC2)CCO1	REAL300013802549	0	65	0.0	-55.01	441.17	8.28	-46.73
CC1(C)C[N@H+](C2(CNC(=O)NCC3(C(=O)[O-])CCCC3)CCCCC2)CCO1	REAL300013802549	1	65	0.0	-62.09	437.76	9.11	-52.98
CC1CN(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CCC1C(=O)[O-]	REAL300013802550	0	65	0.0	-69.87	429.29	9.53	-60.34
CC1CN(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CCC1C(=O)[O-]	REAL300013802550	1	65	0.0	-71.76	436.16	9.27	-62.49
CC1(C)C[N@@H+](C2(CNC(=O)NCC3(C(=O)[O-])CCC3)CCCCC2)CCO1	REAL300013802551	0	62	0.0	-56.20	423.18	7.58	-48.62
CC1(C)C[N@H+](C2(CNC(=O)NCC3(C(=O)[O-])CCC3)CCCCC2)CCO1	REAL300013802551	1	62	0.0	-56.88	422.85	7.56	-49.32
CC1(C)C[N@@H+](C2(CNC(=O)NCC(CC(=O)[O-])C3CC3)CCCCC2)CCO1	REAL300013802552	0	65	0.0	-71.69	448.25	8.21	-63.48
CC1(C)C[N@H+](C2(CNC(=O)NCC(CC(=O)[O-])C3CC3)CCCCC2)CCO1	REAL300013802552	1	65	0.0	-69.08	440.07	8.86	-60.22
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C[NH+]1CCC(OC2=CC=C(CNC(=O)NCCC(=O)[O-])C=C2)CC1	REAL300013805785	0	49	0.0	-78.62	386.06	6.27	-72.35
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300013805786	0	58	0.0	-79.21	450.56	8.63	-70.58
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013805787	0	55	0.0	-81.17	420.91	7.74	-73.43
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300013805788	0	56	0.0	-82.97	425.55	9.19	-73.78
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(OC3CC[NH+](C)CC3)C=C2)C1	REAL300013805789	0	59	0.0	-67.78	438.42	10.38	-57.40
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)CC1	REAL300013805790	0	59	0.0	-80.48	434.76	9.81	-70.67
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013805791	0	52	0.0	-75.73	407.56	7.06	-68.67
CC1CCN(C(=O)NCC2=CC=C(OC3CC[NH+](C)CC3)C=C2)CC1C(=O)[O-]	REAL300013805792	0	59	0.0	-82.42	437.51	10.01	-72.41
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013805793	0	58	0.0	-76.30	440.84	7.95	-68.35
CCC(CC)(CNC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013805794	0	61	0.0	-74.61	451.14	9.04	-65.57
CC(CNC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013805795	0	52	0.0	-79.66	403.73	7.01	-72.65
CC(C)C(CNC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013805796	0	58	0.0	-75.71	443.35	8.21	-67.50
C[NH+]1CCC(OC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013805797	0	56	0.0	-73.49	429.00	8.32	-65.17
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300013805798	0	59	0.0	-75.19	446.01	9.12	-66.07
CC1CN(C(=O)NCC2=CC=C(OC3CC[NH+](C)CC3)C=C2)CCC1C(=O)[O-]	REAL300013805799	0	59	0.0	-75.56	434.80	10.28	-65.28
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300013805800	0	56	0.0	-72.74	428.93	8.27	-64.47
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCC(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300013805801	0	59	0.0	-80.43	454.13	9.17	-71.26
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)CC1	REAL300013805802	0	59	0.0	-80.48	434.76	9.81	-70.67
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300013805803	0	56	0.0	-82.82	438.92	9.28	-73.54
C[NH+]1CCC(OC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013805804	0	53	0.0	-75.58	412.65	7.63	-67.95
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013805805	0	56	0.0	-68.32	421.56	9.53	-58.79
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013805806	0	56	0.0	-67.70	422.81	9.60	-58.10
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3CC(C(=O)[O-])C3)C=C2)CC1	REAL300013805807	0	53	0.0	-75.61	412.63	7.63	-67.98
C[NH+]1CCC(OC2=CC=C(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013805808	0	53	0.0	-77.13	412.84	7.67	-69.46
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300013805809	0	56	0.0	-83.06	445.32	9.16	-73.90
CCC(CNC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013805810	0	55	0.0	-75.10	426.56	7.73	-67.37
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=C2)CC1	REAL300013805811	0	61	0.0	-82.17	472.05	9.41	-72.76
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300013805812	0	55	0.0	-81.14	425.18	9.47	-71.67
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300013805813	0	59	0.0	-83.78	436.94	10.32	-73.46
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300013805814	0	59	0.0	-69.02	456.87	8.82	-60.20
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300013805815	0	59	0.0	-83.19	437.48	10.12	-73.07
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)C=C2)CC1	REAL300013805816	0	57	0.0	-81.44	431.69	7.12	-74.32
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)CC1	REAL300013805817	0	54	0.0	-82.57	422.77	7.85	-74.72
C[NH+]1CCC(OC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=C2)CC1	REAL300013805818	0	59	0.0	-72.85	443.52	9.30	-63.55
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC(CC(=O)[O-])CC3)C=C2)CC1	REAL300013805819	0	59	0.0	-72.06	439.80	10.24	-61.82
C[NH+]1CCC(OC2=CC=C(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013805820	0	59	0.0	-76.45	447.46	8.85	-67.60
C[NH+]1CCC(OC2=CC=C(CNC(=O)NC3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300013805821	0	59	0.0	-73.93	443.52	9.28	-64.65
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300013805822	0	57	0.0	-70.84	434.70	6.41	-64.43
C[NH+]1CCC(OC2=CC=C(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300013805823	0	54	0.0	-78.12	424.17	8.36	-69.76
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CC3)C=C2)CC1	REAL300013805824	0	53	0.0	-70.59	412.84	7.89	-62.70
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300013805825	0	57	0.0	-83.42	429.95	8.82	-74.60
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CC(C(=O)[O-])C3)C=C2)CC1	REAL300013805826	0	50	0.0	-72.61	393.80	7.84	-64.77
C[NH+]1CCC(OC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C3)C=C2)CC1	REAL300013805827	0	53	0.0	-78.80	408.68	8.64	-70.16
C[NH+]1CCC(OC2=CC=C(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300013805828	0	54	0.0	-81.69	423.79	8.37	-73.32
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1	REAL300013805829	0	55	0.0	-75.70	427.31	8.08	-67.62
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NN(CC3=CC=CC=C3)C=C2)CC1	REAL300013805863	1	52	0.0	-39.42	417.44	7.82	-31.60
CCS(=O)(=O)C1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013806022	1	54	0.0	-48.47	432.79	5.54	-42.93
CCOC1=CC=C(C(COC)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013806089	1	56	0.0	-36.89	433.04	6.58	-30.31
CC(NC(=O)N1CCC(C(=O)[O-])CC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806156	0	51	0.0	-71.29	370.30	9.49	-61.80
CC(NC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806157	0	51	0.0	-74.65	397.27	9.51	-65.14
CC(NC(=O)N1CCOC(C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806158	0	49	0.0	-74.80	363.48	7.96	-66.84
CC(NC(=O)NC1CCC(C(=O)[O-])CC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806159	0	54	0.0	-74.87	400.39	9.22	-65.65
CC(NC(=O)NCCCCC(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013806160	0	50	0.0	-73.25	378.51	7.83	-65.42
CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806161	0	51	0.0	-73.96	394.78	9.14	-64.82
CC(NC(=O)NCCCCCC(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013806162	0	53	0.0	-72.87	400.01	8.61	-64.26
CC(NC(=O)NCC(C)(C)C(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013806163	0	50	0.0	-72.54	370.95	7.71	-64.83
CC(NC(=O)N1CCC(C)(C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806164	0	51	0.0	-72.37	377.33	9.13	-63.24
CC(NC(=O)N1CC(C)CC(C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806165	0	54	0.0	-62.39	384.15	9.76	-52.63
CC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806166	0	54	0.0	-74.53	384.55	9.81	-64.72
CC(NC(=O)NCCCC(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013806167	0	47	0.0	-68.90	357.01	7.06	-61.84
CC(NC(=O)N1CCC(C)C(C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806168	0	54	0.0	-61.80	386.73	9.93	-51.87
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806169	0	55	0.0	-65.01	399.42	6.80	-58.21
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013806170	0	53	0.0	-70.17	389.72	7.92	-62.25
CCC(CC)(CNC(=O)NC(C)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013806171	0	56	0.0	-61.67	401.03	9.07	-52.60
CC(CNC(=O)NC(C)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013806172	0	47	0.0	-70.43	353.18	6.99	-63.44
CC(C)C(CNC(=O)NC(C)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013806173	0	53	0.0	-63.74	392.81	8.19	-55.55
CC(NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806174	0	60	0.0	-74.13	436.60	10.83	-63.30
CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806175	0	57	0.0	-56.94	428.39	10.72	-46.22
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806176	0	51	0.0	-69.28	379.60	7.84	-61.44
CC(NC(=O)N1CCC(CCC(=O)[O-])CC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806177	0	57	0.0	-74.03	411.14	10.96	-63.07
CC(NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806178	0	53	0.0	-73.48	391.32	7.41	-66.07
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806179	0	54	0.0	-64.76	397.79	8.68	-56.08
CC(NC(=O)N1CCC(C(=O)[O-])C(C)C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806180	0	54	0.0	-71.27	383.52	10.26	-61.01
CC(NC(=O)NCC1(C(=O)[O-])CCC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806181	0	51	0.0	-58.79	381.35	9.16	-49.63
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806182	0	54	0.0	-74.34	404.68	8.70	-65.64
CC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806183	0	54	0.0	-74.53	384.55	9.81	-64.72
CC(C)C[C@H](CNC(=O)NC(C)C(C1=CC=CC=C1)[NH+](C)C)CC(=O)[O-]	REAL300013806184	0	59	0.0	-69.41	422.60	9.43	-59.98
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013806185	0	51	0.0	-71.97	390.11	8.83	-63.14
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300013806186	0	55	0.0	-71.73	408.19	8.24	-63.49
CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806187	0	48	0.0	-69.13	362.40	7.65	-61.48
CC(NC(=O)NC1CCN(CC(=O)[O-])CC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806188	0	56	0.0	-71.65	410.05	6.71	-64.94
CC(NC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806189	0	51	0.0	-62.47	370.35	9.51	-52.96
CC(NC(=O)N1CCC[C@H](C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806190	0	51	0.0	-62.37	374.37	9.13	-53.24
CC(NC(=O)NC1CC(C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806191	0	48	0.0	-71.99	364.80	7.18	-64.81
CC(NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806192	0	48	0.0	-73.89	363.21	7.18	-66.71
CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806193	0	51	0.0	-73.96	394.78	9.14	-64.82
CCC(CNC(=O)NC(C)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013806194	0	50	0.0	-61.06	369.85	7.91	-53.15
CC(NC(=O)N1CCCCC1CCC(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013806195	0	57	0.0	-74.17	405.65	10.96	-63.21
CC(NC(=O)NCCCCCCCC(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013806196	0	59	0.0	-74.78	443.01	10.17	-64.61
CC(NC(=O)NCCCCCCC(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013806197	0	56	0.0	-75.14	421.51	9.39	-65.75
CC(NC(=O)N(C)CCCC(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013806198	0	50	0.0	-73.27	374.65	9.43	-63.84
CC(NC(=O)N1CCCC(C)(C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806199	0	54	0.0	-59.47	389.57	10.65	-48.82
COCC1(C(=O)[O-])CCCN(C(=O)NC(C)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300013806200	0	58	0.0	-76.60	421.07	10.41	-66.19
COCCN(CCC(=O)[O-])C(=O)NC(C)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806201	0	54	0.0	-62.22	406.34	8.79	-53.43
CC(NC(=O)N1CCCC(CCC(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806202	0	57	0.0	-74.11	413.35	11.33	-62.78
CC(NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806203	0	55	0.0	-71.24	403.47	12.29	-58.95
CC(NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806204	0	52	0.0	-70.27	383.75	8.31	-61.96
CC(NC(=O)N1CC(C(=O)[O-])CCC1C)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806205	0	54	0.0	-61.95	386.90	10.08	-51.87
CC(NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806206	0	58	0.0	-62.11	436.71	12.49	-49.62
CC(NC(=O)N1CCCC(O)(C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806207	0	52	0.0	-59.96	384.32	7.44	-52.52
CC(NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806208	0	55	0.0	-73.72	414.70	9.73	-63.99
CC(NC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806209	0	58	0.0	-86.39	425.99	9.74	-76.65
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C(C2=CC=CC=C2)[NH+](C)C)CC1	REAL300013806210	0	58	0.0	-77.44	416.27	8.92	-68.52
CC(NC(=O)NC12CC(C(=O)[O-])(C1)C2)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806211	0	49	0.0	-78.67	373.94	7.43	-71.24
CC(NC(=O)NCC1(CC(=O)[O-])CCCCC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806212	0	60	0.0	-72.51	420.35	9.41	-63.10
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806213	0	54	0.0	-61.21	396.03	9.66	-51.55
CC(NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806214	0	57	0.0	-77.57	418.88	9.15	-68.42
CC(NC(=O)N1CCC(CC(=O)[O-])CC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806215	0	54	0.0	-72.75	388.83	10.19	-62.56
CC(NC(=O)N1CCC(OCC(=O)[O-])CC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806216	0	55	0.0	-74.84	405.37	9.57	-65.27
CC(NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806217	0	54	0.0	-69.71	396.46	8.83	-60.88
CC(NC(=O)NC1CCCC(C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806218	0	54	0.0	-64.53	396.03	9.64	-54.89
CC(NC(=O)NCC1(C(=O)[O-])CCCOC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806219	0	55	0.0	-60.34	401.85	7.76	-52.58
CC(NC(=O)NCC1(C(=O)[O-])CCOC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806220	0	52	0.0	-54.74	386.66	6.74	-48.00
CC(NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806221	0	49	0.0	-69.86	373.91	8.37	-61.49
CC(NC(=O)NCC1(C(=O)[O-])CC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806222	0	48	0.0	-62.06	364.98	7.57	-54.49
CC(NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806223	0	55	0.0	-61.31	403.41	10.78	-50.53
CC(NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806224	0	51	0.0	-66.79	390.96	9.38	-57.41
CC(NC(=O)N1CCOC(C)(C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806225	0	52	0.0	-61.09	382.39	9.14	-51.95
CC(NC(=O)N1CC(C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806226	0	45	0.0	-60.86	346.10	8.28	-52.58
COC1CC(C(=O)[O-])CN(C(=O)NC(C)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300013806227	0	55	0.0	-65.96	399.48	8.05	-57.91
CC(NC(=O)N1CCC(C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806228	0	48	0.0	-69.02	361.19	8.99	-60.03
CC(NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806229	0	49	0.0	-75.31	372.47	8.36	-66.95
CC(CCC(=O)[O-])NC(=O)NC(C)C(C1=CC=CC=C1)[NH+](C)C	REAL300013806230	0	50	0.0	-68.20	376.77	8.04	-60.16
CC1=CC=CC=C1C(C(C)NC(=O)N1CCC(C(=O)[O-])CC1)[NH+](C)C	REAL300013806231	0	54	0.0	-71.14	385.56	10.54	-60.60
CC1=CC=CC=C1C(C(C)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH+](C)C	REAL300013806232	0	54	0.0	-74.34	409.62	10.14	-64.20
CC1=CC=CC=C1C(C(C)NC(=O)N1CCOC(C(=O)[O-])C1)[NH+](C)C	REAL300013806233	0	52	0.0	-65.59	377.14	9.00	-56.59
CC1=CC=CC=C1C(C(C)NC(=O)NC1CCC(C(=O)[O-])CC1)[NH+](C)C	REAL300013806234	0	57	0.0	-67.12	405.52	9.89	-57.23
CC1=CC=CC=C1C(C(C)NC(=O)NCCCCC(=O)[O-])[NH+](C)C	REAL300013806235	0	53	0.0	-72.58	390.41	8.64	-63.94
CC1=CC=CC=C1C(C(C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300013806236	0	54	0.0	-76.06	408.64	9.82	-66.24
CC1=CC=CC=C1C(C(C)NC(=O)NCCC(=O)[O-])[NH+](C)C	REAL300013806237	0	47	0.0	-69.01	347.41	7.07	-61.94
CC1=CC=CC=C1C(C(C)NC(=O)NCCCCCC(=O)[O-])[NH+](C)C	REAL300013806238	0	56	0.0	-72.31	411.90	9.42	-62.89
CC1=CC=CC=C1C(C(C)NC(=O)NCC(C)(C)C(=O)[O-])[NH+](C)C	REAL300013806239	0	53	0.0	-71.73	382.85	8.53	-63.20
CC1=CC=CC=C1C(C(C)NC(=O)N1CCC(C)(C(=O)[O-])C1)[NH+](C)C	REAL300013806240	0	54	0.0	-76.89	389.17	10.17	-66.72
CC1=CC=CC=C1C(C(C)NC(=O)N1CC(C)CC(C(=O)[O-])C1)[NH+](C)C	REAL300013806241	0	57	0.0	-63.28	404.71	11.12	-52.16
CC1=CC=CC=C1C(C(C)NC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+](C)C	REAL300013806242	0	57	0.0	-73.25	397.13	10.83	-62.42
CC1=CC=CC=C1C(C(C)NC(=O)NCCCC(=O)[O-])[NH+](C)C	REAL300013806243	0	50	0.0	-68.45	368.91	7.87	-60.58
CC1=CC=CC=C1C(C(C)NC(=O)N1CCC(C)C(C(=O)[O-])C1)[NH+](C)C	REAL300013806244	0	57	0.0	-70.64	399.40	10.59	-60.05
CC1=CC=CC=C1C(C(C)NC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+](C)C	REAL300013806245	0	58	0.0	-54.39	409.89	7.81	-46.58
CC1=CC=CC=C1C(C(C)NC(=O)NCCC(C)(C)C(=O)[O-])[NH+](C)C	REAL300013806246	0	56	0.0	-69.75	402.20	8.74	-61.01
CCC(CC)(CNC(=O)NC(C)C(C1=CC=CC=C1C)[NH+](C)C)C(=O)[O-]	REAL300013806247	0	59	0.0	-60.86	409.80	9.72	-51.14
CC1=CC=CC=C1C(C(C)NC(=O)NCC(C)C(=O)[O-])[NH+](C)C	REAL300013806248	0	50	0.0	-70.26	366.76	7.86	-62.40
CC1=CC=CC=C1C(C(C)NC(=O)NCC(C(=O)[O-])C(C)C)[NH+](C)C	REAL300013806249	0	56	0.0	-64.41	404.69	9.01	-55.40
CC1=CC=CC=C1C(C(C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+](C)C	REAL300013806250	0	63	0.0	-70.34	447.44	10.77	-59.57
CC1=CC=CC=C1C(C(C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+](C)C	REAL300013806251	0	60	0.0	-61.98	434.77	11.18	-50.80
CC1=CC=CC=C1C(C(C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+](C)C	REAL300013806252	0	54	0.0	-66.64	391.12	8.79	-57.85
CC1=CC=CC=C1C(C(C)NC(=O)N1CCC(CCC(=O)[O-])CC1)[NH+](C)C	REAL300013806253	0	60	0.0	-75.55	426.40	12.00	-63.55
CC1=CC=CC=C1C(C(C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[NH+](C)C	REAL300013806254	0	56	0.0	-59.71	401.55	8.35	-51.36
CC1=CC=CC=C1C(C(C)NC(=O)NCC1(C(=O)[O-])CCCC1)[NH+](C)C	REAL300013806255	0	57	0.0	-53.89	408.26	9.71	-44.18
CC1=CC=CC=C1C(C(C)NC(=O)N1CCC(C(=O)[O-])C(C)C1)[NH+](C)C	REAL300013806256	0	57	0.0	-63.32	396.46	10.88	-52.44
CC1=CC=CC=C1C(C(C)NC(=O)NCC1(C(=O)[O-])CCC1)[NH+](C)C	REAL300013806257	0	54	0.0	-61.35	390.08	9.53	-51.82
CC1=CC=CC=C1C(C(C)NC(=O)NCC(CC(=O)[O-])C1CC1)[NH+](C)C	REAL300013806258	0	57	0.0	-72.05	417.49	10.08	-61.97
CC1=CC=CC=C1C(C(C)NC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+](C)C	REAL300013806259	0	57	0.0	-73.25	397.13	10.83	-62.42
CC1=CC=CC=C1C(C(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+](C)C	REAL300013806260	0	62	0.0	-59.21	436.63	10.06	-49.15
CC1=CC=CC=C1C(C(C)NC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+](C)C	REAL300013806261	0	54	0.0	-68.36	402.24	9.94	-58.42
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C(C2=CC=CC=C2C)[NH+](C)C)C1	REAL300013806262	0	58	0.0	-75.43	422.91	9.23	-66.20
CC1=CC=CC=C1C(C(C)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+](C)C	REAL300013806263	0	51	0.0	-68.42	377.76	8.69	-59.73
CC1=CC=CC=C1C(C(C)NC(=O)NC1CCN(CC(=O)[O-])CC1)[NH+](C)C	REAL300013806264	0	59	0.0	-70.67	422.82	7.29	-63.38
CC1=CC=CC=C1C(C(C)NC(=O)N1CCC[C@@H](C(=O)[O-])C1)[NH+](C)C	REAL300013806265	0	54	0.0	-63.46	383.50	10.52	-52.94
CC1=CC=CC=C1C(C(C)NC(=O)N1CCC[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300013806266	0	54	0.0	-71.39	385.54	10.11	-61.28
CC1=CC=CC=C1C(C(C)NC(=O)NC1CC(C(=O)[O-])C1)[NH+](C)C	REAL300013806267	0	51	0.0	-69.81	374.38	8.43	-61.38
CC1=CC=CC=C1C(C(C)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300013806268	0	51	0.0	-70.12	377.17	8.63	-61.49
CC1=CC=CC=C1C(C(C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300013806269	0	54	0.0	-76.06	408.64	9.82	-66.24
CCC(CNC(=O)NC(C)C(C1=CC=CC=C1C)[NH+](C)C)C(=O)[O-]	REAL300013806270	0	53	0.0	-66.00	387.91	8.52	-57.48
CC1=CC=CC=C1C(C(C)NC(=O)N1CCCCC1CCC(=O)[O-])[NH+](C)C	REAL300013806271	0	60	0.0	-75.67	419.28	11.52	-64.15
CC1=CC=CC=C1C(C(C)NC(=O)NCCCCCCCC(=O)[O-])[NH+](C)C	REAL300013806272	0	62	0.0	-74.12	454.90	10.98	-63.14
CC1=CC=CC=C1C(C(C)NC(=O)NCCCCCCC(=O)[O-])[NH+](C)C	REAL300013806273	0	59	0.0	-74.37	433.40	10.20	-64.17
CC1=CC=CC=C1C(C(C)NC(=O)N(C)CCCC(=O)[O-])[NH+](C)C	REAL300013806274	0	53	0.0	-68.46	388.63	10.46	-58.00
CC1=CC=CC=C1C(C(C)NC(=O)N1CCCC(C)(C(=O)[O-])C1)[NH+](C)C	REAL300013806275	0	57	0.0	-53.73	400.84	11.31	-42.42
COCC1(C(=O)[O-])CCCN(C(=O)NC(C)C(C2=CC=CC=C2C)[NH+](C)C)C1	REAL300013806276	0	61	0.0	-66.46	431.35	10.44	-56.02
COCCN(CCC(=O)[O-])C(=O)NC(C)C(C1=CC=CC=C1C)[NH+](C)C	REAL300013806277	0	57	0.0	-51.79	420.33	9.81	-41.98
CC1=CC=CC=C1C(C(C)NC(=O)N1CCCC(CCC(=O)[O-])C1)[NH+](C)C	REAL300013806278	0	60	0.0	-77.80	426.79	12.01	-65.79
CC1=CC=CC=C1C(C(C)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)[NH+](C)C	REAL300013806279	0	58	0.0	-78.65	419.29	13.05	-65.60
CC1=CC=CC=C1C(C(C)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[NH+](C)C	REAL300013806280	0	55	0.0	-69.93	398.61	9.30	-60.63
CC1=CC=CC=C1C(C(C)NC(=O)N1CC(C(=O)[O-])CCC1C)[NH+](C)C	REAL300013806281	0	57	0.0	-49.93	399.31	11.07	-38.86
CC1=CC=CC=C1C(C(C)NC(=O)N1CCCC(O)(C(=O)[O-])C1)[NH+](C)C	REAL300013806282	0	55	0.0	-67.37	393.52	7.73	-59.64
CC1=CC=CC=C1C(C(C)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)[NH+](C)C	REAL300013806283	0	58	0.0	-71.04	430.86	10.95	-60.09
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C(C2=CC=CC=C2C)[NH+](C)C)CC1	REAL300013806284	0	61	0.0	-78.32	428.40	10.63	-67.69
CC1=CC=CC=C1C(C(C)NC(=O)NC12CC(C(=O)[O-])(C1)C2)[NH+](C)C	REAL300013806285	0	52	0.0	-75.87	386.43	8.88	-66.99
CC1=CC=CC=C1C(C(C)NC(=O)NCC1(CC(=O)[O-])CCCCC1)[NH+](C)C	REAL300013806286	0	63	0.0	-69.97	430.64	10.42	-59.55
CC1=CC=CC=C1C(C(C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[NH+](C)C	REAL300013806287	0	57	0.0	-66.96	405.98	10.42	-56.54
CC1=CC=CC=C1C(C(C)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[NH+](C)C	REAL300013806288	0	60	0.0	-72.36	429.78	10.18	-62.18
CC1=CC=CC=C1C(C(C)NC(=O)N1CCC(CC(=O)[O-])CC1)[NH+](C)C	REAL300013806289	0	57	0.0	-74.17	404.09	11.23	-62.94
CC1=CC=CC=C1C(C(C)NC(=O)N1CCC(OCC(=O)[O-])CC1)[NH+](C)C	REAL300013806290	0	58	0.0	-75.67	420.63	10.63	-65.04
CC1=CC=CC=C1C(C(C)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[NH+](C)C	REAL300013806291	0	57	0.0	-70.78	409.72	10.00	-60.78
CC1=CC=CC=C1C(C(C)NC(=O)NC1CCCC(C(=O)[O-])C1)[NH+](C)C	REAL300013806292	0	57	0.0	-67.87	405.76	9.86	-58.01
CC1=CC=CC=C1C(C(C)NC(=O)NCC1(C(=O)[O-])CCCOC1)[NH+](C)C	REAL300013806293	0	58	0.0	-56.90	414.80	8.35	-48.55
CC1=CC=CC=C1C(C(C)NC(=O)NCC1(C(=O)[O-])CCOC1)[NH+](C)C	REAL300013806294	0	55	0.0	-64.89	396.67	7.56	-57.33
CC1=CC=CC=C1C(C(C)NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+](C)C	REAL300013806295	0	52	0.0	-63.90	387.65	9.03	-54.87
CC1=CC=CC=C1C(C(C)NC(=O)NCC1(C(=O)[O-])CC1)[NH+](C)C	REAL300013806296	0	51	0.0	-58.47	376.07	8.58	-49.89
CC1=CC=CC=C1C(C(C)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)[NH+](C)C	REAL300013806297	0	58	0.0	-60.91	413.92	10.94	-49.97
CC1=CC=CC=C1C(C(C)NC(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+](C)C	REAL300013806298	0	55	0.0	-56.40	393.83	9.79	-46.61
CC1=CC=CC=C1C(C(C)NC(=O)N1CC(C(=O)[O-])C1)[NH+](C)C	REAL300013806299	0	48	0.0	-63.89	356.52	8.96	-54.93
COC1CC(C(=O)[O-])CN(C(=O)NC(C)C(C2=CC=CC=C2C)[NH+](C)C)C1	REAL300013806300	0	58	0.0	-53.28	419.77	9.52	-43.76
CC1=CC=CC=C1C(C(C)NC(=O)N1CCC(C(=O)[O-])C1)[NH+](C)C	REAL300013806301	0	51	0.0	-71.37	372.30	9.63	-61.74
CC1=CC=CC=C1C(C(C)NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+](C)C	REAL300013806302	0	52	0.0	-73.72	387.06	9.02	-64.70
CC1=CC=CC=C1C(C(C)NC(=O)NC(C)CCC(=O)[O-])[NH+](C)C	REAL300013806303	0	53	0.0	-66.32	388.67	8.88	-57.44
CCC[N@H+](C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013806397	0	54	0.0	-75.75	408.33	11.23	-64.52
CCC[N@@H+](C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013806397	1	54	0.0	-76.71	407.64	11.34	-65.37
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CCC[N@@H+](C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300013806398	1	52	0.0	-80.12	400.12	9.54	-70.58
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COCCCOC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013806860	1	56	0.0	-42.34	439.67	6.37	-35.97
CC1=CC=CC(CCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013806928	1	50	0.0	-41.93	391.56	6.62	-35.31
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=NC=C2OCC2=CC=CC=C2)CC1	REAL300013807013	1	55	0.0	-39.09	438.49	7.78	-31.31
CC(C)C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NN=CN1C	REAL300013807076	1	50	0.0	-39.84	379.47	6.54	-33.30
CCC(C)[NH2+]C(CNC(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CO1	REAL300013807116	0	51	0.0	-69.92	385.68	7.34	-62.58
CCC(C)[NH2+]C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1=CC=CO1	REAL300013807117	0	51	0.0	-75.27	409.80	6.99	-68.28
CCC(C)[NH2+]C(CNC(=O)N1CCOC(C(=O)[O-])C1)C1=CC=CO1	REAL300013807118	0	49	0.0	-56.53	372.74	5.75	-50.78
CCC(C)[NH2+]C(CNC(=O)NC1CCC(C(=O)[O-])CC1)C1=CC=CO1	REAL300013807119	0	54	0.0	-62.67	406.69	7.07	-55.60
CCC(C)[NH2+]C(CNC(=O)NCCCCC(=O)[O-])C1=CC=CO1	REAL300013807120	0	50	0.0	-74.81	393.55	5.68	-69.13
CCC(C)[NH2+]C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CO1	REAL300013807121	0	51	0.0	-72.68	409.82	6.99	-65.69
CCC(C)[NH2+]C(CNC(=O)NCCCCCC(=O)[O-])C1=CC=CO1	REAL300013807122	0	53	0.0	-73.19	415.05	6.46	-66.73
CCC(C)[NH2+]C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CC=CO1	REAL300013807123	0	50	0.0	-74.22	385.41	5.56	-68.66
CCC(C)[NH2+]C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=CO1	REAL300013807124	0	51	0.0	-76.49	383.48	6.93	-69.56
CCC(C)[NH2+]C(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)C1=CC=CO1	REAL300013807125	0	54	0.0	-52.11	406.88	7.93	-44.18
CCC(C)[NH2+]C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CO1	REAL300013807126	0	54	0.0	-73.55	392.83	7.56	-65.99
CCC(C)[NH2+]C(CNC(=O)NCCCC(=O)[O-])C1=CC=CO1	REAL300013807127	0	47	0.0	-67.58	372.05	4.90	-62.68
CCC(C)[NH2+]C(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)C1=CC=CO1	REAL300013807128	0	54	0.0	-50.83	401.93	7.81	-43.02
CCC(C)[NH2+]C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CO1	REAL300013807129	0	55	0.0	-57.47	405.51	4.95	-52.52
CCC(C)[NH2+]C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CO1	REAL300013807130	0	53	0.0	-68.73	404.75	5.78	-62.95
CCC(C)[NH2+]C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=CO1	REAL300013807131	0	56	0.0	-56.62	412.94	6.75	-49.87
CCC(C)[NH2+]C(CNC(=O)NCC(C)C(=O)[O-])C1=CC=CO1	REAL300013807132	0	47	0.0	-72.40	369.91	4.89	-67.51
CCC(C)[NH2+]C(CNC(=O)NCC(C(=O)[O-])C(C)C)C1=CC=CO1	REAL300013807133	0	53	0.0	-60.10	407.84	6.05	-54.05
CCC(C)[NH2+]C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CC=CO1	REAL300013807134	0	60	0.0	-76.68	439.49	7.40	-69.28
CCC(C)[NH2+]C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300013807135	0	57	0.0	-58.08	437.01	8.42	-49.66
CCC(C)[NH2+]C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013807136	0	51	0.0	-64.39	386.95	6.06	-58.33
CCC(C)[NH2+]C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C1=CC=CO1	REAL300013807137	0	57	0.0	-75.06	426.53	8.83	-66.23
CCC(C)[NH2+]C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1=CC=CO1	REAL300013807138	0	53	0.0	-73.69	403.56	5.51	-68.18
CCC(C)[NH2+]C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CO1	REAL300013807139	0	54	0.0	-56.66	403.88	6.85	-49.81
CCC(C)[NH2+]C(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)C1=CC=CO1	REAL300013807140	0	54	0.0	-69.84	393.12	8.03	-61.81
CCC(C)[NH2+]C(CNC(=O)NCC1(C(=O)[O-])CCC1)C1=CC=CO1	REAL300013807141	0	51	0.0	-56.08	392.52	6.25	-49.83
CCC(C)[NH2+]C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CO1	REAL300013807142	0	54	0.0	-70.67	417.54	6.86	-63.81
CCC(C)[NH2+]C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CO1	REAL300013807143	0	54	0.0	-73.55	392.83	7.56	-65.99
CCC(C)[NH2+]C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1=CC=CO1	REAL300013807144	0	59	0.0	-65.11	437.52	7.41	-57.70
CCC(C)[NH2+]C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CO1	REAL300013807145	0	51	0.0	-61.75	396.84	7.04	-54.71
CCC(C)[NH2+]C(CNC(=O)N1CCC(COC)(C(=O)[O-])C1)C1=CC=CO1	REAL300013807146	0	55	0.0	-74.09	417.20	5.97	-68.12
CCC(C)[NH2+]C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013807147	0	48	0.0	-68.93	370.93	5.38	-63.55
CCC(C)[NH2+]C(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C1=CC=CO1	REAL300013807148	0	56	0.0	-72.12	425.55	4.53	-67.59
CCC(C)[NH2+]C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013807149	0	51	0.0	-77.15	386.02	7.35	-69.80
CCC(C)[NH2+]C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013807150	0	51	0.0	-54.45	380.67	7.34	-47.11
CCC(C)[NH2+]C(CNC(=O)NC1CC(C(=O)[O-])C1)C1=CC=CO1	REAL300013807151	0	48	0.0	-68.93	370.96	5.38	-63.55
CCC(C)[NH2+]C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013807152	0	48	0.0	-70.67	377.40	5.51	-65.16
CCC(C)[NH2+]C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CO1	REAL300013807153	0	51	0.0	-72.68	409.82	6.99	-65.69
CCC(C)[NH2+]C(CNC(=O)NCC(CC)C(=O)[O-])C1=CC=CO1	REAL300013807154	0	50	0.0	-57.78	391.05	5.56	-52.22
CCC(C)[NH2+]C(CNC(=O)N1CCCCC1CCC(=O)[O-])C1=CC=CO1	REAL300013807155	0	57	0.0	-79.35	414.31	8.71	-70.64
CCC(C)[NH2+]C(CNC(=O)NCCCCCCCC(=O)[O-])C1=CC=CO1	REAL300013807156	0	59	0.0	-75.92	458.04	8.02	-67.90
CCC(C)[NH2+]C(CNC(=O)NCCCCCCC(=O)[O-])C1=CC=CO1	REAL300013807157	0	56	0.0	-77.02	436.54	7.24	-69.78
CCC(C)[NH2+]C(CNC(=O)N(C)CCCC(=O)[O-])C1=CC=CO1	REAL300013807158	0	50	0.0	-74.09	389.68	7.27	-66.82
CCC(C)[NH2+]C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=CO1	REAL300013807159	0	54	0.0	-78.71	401.37	8.13	-70.58
CCC(C)[NH2+]C(CNC(=O)N1CCCC(COC)(C(=O)[O-])C1)C1=CC=CO1	REAL300013807160	0	58	0.0	-82.82	433.56	7.26	-75.56
CCC(C)[NH2+]C(CNC(=O)N(CCOC)CCC(=O)[O-])C1=CC=CO1	REAL300013807161	0	54	0.0	-47.83	421.36	6.63	-41.20
CCC(C)[NH2+]C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C1=CC=CO1	REAL300013807162	0	57	0.0	-78.34	426.90	8.83	-69.51
CCC(C)[NH2+]C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1=CC=CO1	REAL300013807163	0	55	0.0	-76.04	413.40	9.82	-66.22
CCC(C)[NH2+]C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1=CC=CO1	REAL300013807164	0	52	0.0	-71.32	399.00	6.13	-65.19
CCC(C)[NH2+]C(CNC(=O)N1CC(C(=O)[O-])CCC1C)C1=CC=CO1	REAL300013807165	0	54	0.0	-52.98	397.11	7.93	-45.05
CCC(C)[NH2+]C(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013807166	0	58	0.0	-61.15	442.72	9.89	-51.26
CCC(C)[NH2+]C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=CO1	REAL300013807167	0	52	0.0	-75.09	389.72	4.89	-70.20
CCC(C)[NH2+]C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1=CC=CO1	REAL300013807168	0	55	0.0	-71.97	432.49	8.22	-63.75
CCC(C)[NH2+]C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1=CC=CO1	REAL300013807169	0	58	0.0	-84.28	431.72	7.15	-77.13
CCC(C)[NH2+]C(CNC(=O)N1CCC(COC)(C(=O)[O-])CC1)C1=CC=CO1	REAL300013807170	0	58	0.0	-75.79	423.81	7.49	-68.30
CCC(C)[NH2+]C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C1=CC=CO1	REAL300013807171	0	49	0.0	-77.84	380.65	5.60	-72.24
CCC(C)[NH2+]C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1=CC=CO1	REAL300013807172	0	60	0.0	-68.04	426.94	7.58	-60.46
CCC(C)[NH2+]C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1=CC=CO1	REAL300013807173	0	54	0.0	-62.73	408.02	7.10	-55.63
CCC(C)[NH2+]C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=CO1	REAL300013807174	0	57	0.0	-75.61	432.20	7.40	-68.21
CCC(C)[NH2+]C(CNC(=O)N1CCC(CC(=O)[O-])CC1)C1=CC=CO1	REAL300013807175	0	54	0.0	-74.70	404.22	8.05	-66.65
CCC(C)[NH2+]C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C1=CC=CO1	REAL300013807176	0	55	0.0	-74.69	420.75	7.43	-67.26
CCC(C)[NH2+]C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013807177	0	54	0.0	-69.97	405.83	6.60	-63.37
CCC(C)[NH2+]C(CNC(=O)NC1CCCC(C(=O)[O-])C1)C1=CC=CO1	REAL300013807178	0	54	0.0	-66.10	401.46	7.03	-59.07
CCC(C)[NH2+]C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C1=CC=CO1	REAL300013807179	0	55	0.0	-59.36	417.24	5.53	-53.83
CCC(C)[NH2+]C(CNC(=O)NCC1(C(=O)[O-])CCOC1)C1=CC=CO1	REAL300013807180	0	52	0.0	-58.60	392.57	4.13	-54.47
CCC(C)[NH2+]C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CO1	REAL300013807181	0	49	0.0	-67.08	388.66	6.17	-60.91
CCC(C)[NH2+]C(CNC(=O)NCC1(C(=O)[O-])CC1)C1=CC=CO1	REAL300013807182	0	48	0.0	-53.33	370.71	5.64	-47.69
CCC(C)[NH2+]C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1=CC=CO1	REAL300013807183	0	55	0.0	-60.57	407.68	8.08	-52.49
CCC(C)[NH2+]C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1=CC=CO1	REAL300013807184	0	51	0.0	-64.13	399.97	7.14	-56.99
CCC(C)[NH2+]C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CO1	REAL300013807185	0	52	0.0	-78.22	394.41	6.61	-71.61
CCC(C)[NH2+]C(CNC(=O)N1CC(C(=O)[O-])C1)C1=CC=CO1	REAL300013807186	0	45	0.0	-61.86	358.29	5.67	-56.19
CCC(C)[NH2+]C(CNC(=O)N1CC(OC)CC(C(=O)[O-])C1)C1=CC=CO1	REAL300013807187	0	55	0.0	-76.78	419.36	6.37	-70.41
CCC(C)[NH2+]C(CNC(=O)N1CCC(C(=O)[O-])C1)C1=CC=CO1	REAL300013807188	0	48	0.0	-72.57	373.17	6.47	-66.10
CCC(C)[NH2+]C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CO1	REAL300013807189	0	49	0.0	-76.78	387.94	6.19	-70.59
CCC(C)[NH2+]C(CNC(=O)NC(C)CCC(=O)[O-])C1=CC=CO1	REAL300013807190	0	50	0.0	-65.65	391.81	5.90	-59.75
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(OC)C(OC)=C1	REAL300013807223	1	56	0.0	-39.39	423.22	6.70	-32.69
O=C([O-])C1CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1	REAL300013807263	1	48	0.0	-67.11	367.94	6.98	-60.13
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C=C1	REAL300013807264	1	48	0.0	-71.01	392.00	6.61	-64.40
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCO1	REAL300013807265	1	46	0.0	-55.17	361.04	5.44	-49.73
O=C([O-])C1CCC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1	REAL300013807266	1	51	0.0	-72.15	394.62	6.30	-65.85
O=C([O-])CCCCNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300013807267	1	47	0.0	-69.47	371.75	5.30	-64.17
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)=CC=C1	REAL300013807268	1	48	0.0	-69.34	392.00	6.59	-62.75
O=C([O-])CCCCCNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300013807269	1	50	0.0	-68.19	393.25	6.08	-62.11
CC(C)(CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807270	1	47	0.0	-69.36	364.20	5.18	-64.18
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807271	1	48	0.0	-68.38	375.09	6.55	-61.83
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807272	1	51	0.0	-51.70	385.08	7.83	-43.87
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1	REAL300013807273	1	51	0.0	-69.06	382.12	7.30	-61.76
O=C([O-])CCCNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300013807274	1	44	0.0	-63.66	350.26	4.52	-59.14
CC1CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1C(=O)[O-]	REAL300013807275	1	51	0.0	-52.02	384.12	7.43	-44.59
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCOCC1	REAL300013807276	1	52	0.0	-54.49	395.32	4.48	-50.01
CC(C)(CCNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807277	1	50	0.0	-64.76	382.96	5.40	-59.36
CCC(CC)(CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807278	1	53	0.0	-56.82	395.85	6.20	-50.62
CC(CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807279	1	44	0.0	-67.16	346.43	4.47	-62.69
CC(C)C(CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807280	1	50	0.0	-54.96	380.79	5.78	-49.18
CC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013807281	1	57	0.0	-72.68	430.34	7.56	-65.12
CC(CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013807282	1	54	0.0	-55.78	415.22	8.04	-47.74
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807283	1	48	0.0	-61.41	375.67	5.76	-55.65
O=C([O-])CCC1CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1	REAL300013807284	1	54	0.0	-70.47	408.75	8.44	-62.03
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1=CC=C(N3CCCC3)[NH+]=C1)C2	REAL300013807285	1	50	0.0	-67.15	385.75	5.13	-62.02
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCCC1	REAL300013807286	1	51	0.0	-56.10	392.69	6.55	-49.55
CC1CN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCC1C(=O)[O-]	REAL300013807287	1	51	0.0	-65.81	381.31	7.71	-58.10
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCC1	REAL300013807288	1	48	0.0	-54.52	375.62	5.72	-48.80
O=C([O-])CC(CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C1CC1	REAL300013807289	1	51	0.0	-67.04	396.35	6.57	-60.47
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1	REAL300013807290	1	51	0.0	-69.06	382.12	7.30	-61.76
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)CC(=O)[O-]	REAL300013807291	1	56	0.0	-61.78	425.97	7.05	-54.73
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300013807292	1	48	0.0	-60.54	385.61	6.71	-53.83
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807293	1	52	0.0	-71.01	403.75	6.54	-64.47
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807294	1	45	0.0	-64.74	359.67	5.07	-59.67
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3CCCC3)N=C2)CC1	REAL300013807295	1	53	0.0	-40.83	406.68	6.14	-34.69
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807296	1	48	0.0	-52.24	368.18	6.97	-45.27
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807297	1	48	0.0	-52.42	368.71	7.00	-45.42
O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807298	1	45	0.0	-64.19	359.70	5.07	-59.12
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807299	1	45	0.0	-66.33	359.55	5.11	-61.22
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)=CC=C1	REAL300013807300	1	48	0.0	-69.34	392.00	6.59	-62.75
CCC(CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807301	1	47	0.0	-54.67	364.24	5.29	-49.38
O=C([O-])CCC1CCCCN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300013807302	1	54	0.0	-72.80	402.43	8.36	-64.44
O=C([O-])CCCCCCCNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300013807303	1	56	0.0	-70.40	436.25	7.65	-62.75
O=C([O-])CCCCCCNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300013807304	1	53	0.0	-71.35	414.75	6.86	-64.49
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300013807305	1	47	0.0	-68.05	367.89	6.93	-61.12
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807306	1	51	0.0	-72.77	383.57	7.76	-65.01
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807307	1	55	0.0	-76.18	414.19	7.63	-68.55
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300013807308	1	51	0.0	-50.38	399.57	6.28	-44.10
O=C([O-])CCC1CCCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807309	1	54	0.0	-72.03	409.06	8.43	-63.60
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC2=CC=CC=C21	REAL300013807310	1	52	0.0	-71.11	402.07	9.52	-61.59
O=C([O-])C(=O)N1CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1	REAL300013807311	1	49	0.0	-60.97	380.92	5.68	-55.29
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300013807312	1	51	0.0	-54.04	385.33	7.62	-46.42
O=C([O-])[C@@H]1CN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C[C@H]1C1=CC=CC=C1	REAL300013807313	1	55	0.0	-57.48	430.88	9.51	-47.97
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807314	1	49	0.0	-69.31	378.28	4.54	-64.77
O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C2=CC=CC=C21	REAL300013807315	1	52	0.0	-68.15	414.68	7.84	-60.31
O=C([O-])CN1CCCCC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1=O	REAL300013807316	1	55	0.0	-74.93	420.31	6.83	-68.10
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1	REAL300013807317	1	55	0.0	-70.63	413.65	6.43	-64.20
O=C([O-])C12CC(NC(=O)NCC3=CC=C(N4CCCC4)[NH+]=C3)(C1)C2	REAL300013807318	1	46	0.0	-71.66	365.47	5.32	-66.34
O=C([O-])CC1(CNC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCCCC1	REAL300013807319	1	57	0.0	-61.71	415.55	7.27	-54.44
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1	REAL300013807320	1	51	0.0	-62.14	390.20	6.73	-55.41
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1	REAL300013807321	1	54	0.0	-69.79	413.05	6.98	-62.81
O=C([O-])CC1CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1	REAL300013807322	1	51	0.0	-69.54	386.44	7.66	-61.88
O=C([O-])COC1CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1	REAL300013807323	1	52	0.0	-70.83	403.00	7.07	-63.76
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807324	1	51	0.0	-65.57	394.63	6.30	-59.27
O=C([O-])C1CCCC(NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807325	1	51	0.0	-63.37	390.20	6.72	-56.65
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCCOC1	REAL300013807326	1	52	0.0	-54.37	396.57	4.87	-49.50
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCOC1	REAL300013807327	1	49	0.0	-57.39	381.38	3.83	-53.56
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=C(N3CCCC3)[NH+]=C1)C2	REAL300013807328	1	46	0.0	-64.32	371.18	5.78	-58.54
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC1	REAL300013807329	1	45	0.0	-52.51	359.51	5.33	-47.18
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CC12CCC2	REAL300013807330	1	52	0.0	-59.31	397.71	7.82	-51.49
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807331	1	48	0.0	-60.42	388.72	6.84	-53.58
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCO1	REAL300013807332	1	49	0.0	-72.90	376.58	6.24	-66.66
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807333	1	42	0.0	-59.09	336.50	5.30	-53.79
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807334	1	52	0.0	-54.79	399.74	6.09	-48.70
O=C([O-])C1CCN(C(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013807335	1	45	0.0	-67.69	355.38	6.07	-61.62
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=C(N3CCCC3)[NH+]=C1)C2	REAL300013807336	1	46	0.0	-71.50	370.11	5.81	-65.69
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300013807337	1	47	0.0	-61.00	370.01	5.54	-55.46
O=C([O-])C1CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC1	REAL300013807338	1	49	0.0	-70.86	374.05	5.45	-65.41
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C=C1	REAL300013807339	1	49	0.0	-74.59	398.18	5.10	-69.49
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCO1	REAL300013807340	1	47	0.0	-60.13	367.20	3.92	-56.21
O=C([O-])C1CCC(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC1	REAL300013807341	1	52	0.0	-66.09	395.07	5.17	-60.92
O=C([O-])CCCCNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300013807342	1	48	0.0	-73.53	381.92	3.77	-69.76
O=C([O-])C1=CC(CNC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)=CC=C1	REAL300013807343	1	49	0.0	-74.70	398.18	5.08	-69.62
O=C([O-])CCNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300013807344	1	42	0.0	-70.25	338.92	2.20	-68.05
O=C([O-])CCCCCNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300013807345	1	51	0.0	-72.33	403.42	4.55	-67.78
CC(C)(CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300013807346	1	48	0.0	-73.43	373.77	3.66	-69.77
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807347	1	49	0.0	-72.81	381.27	5.04	-67.77
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807348	1	52	0.0	-57.49	395.91	6.05	-51.44
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC1	REAL300013807349	1	52	0.0	-71.55	388.31	5.78	-65.77
O=C([O-])CCCNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300013807350	1	45	0.0	-68.04	360.42	2.99	-65.05
CC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC1C(=O)[O-]	REAL300013807351	1	52	0.0	-75.89	390.31	5.91	-69.98
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCOCC1	REAL300013807352	1	53	0.0	-62.93	400.50	3.15	-59.78
CC(C)(CCNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300013807353	1	51	0.0	-69.19	393.12	3.87	-65.32
CCC(CC)(CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300013807354	1	54	0.0	-63.30	406.01	4.67	-58.63
CC(CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300013807355	1	45	0.0	-71.79	357.47	2.95	-68.84
CC(C)C(CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300013807356	1	51	0.0	-60.10	390.95	4.25	-55.85
CC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013807357	1	58	0.0	-75.88	436.44	6.02	-69.86
CC(CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013807358	1	55	0.0	-62.82	429.29	6.31	-56.51
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807359	1	49	0.0	-68.15	381.82	4.25	-63.90
O=C([O-])CCC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC1	REAL300013807360	1	55	0.0	-72.64	414.90	6.93	-65.71
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1=CC=[NH+]C(N3CCOCC3)=C1)C2	REAL300013807361	1	51	0.0	-71.24	392.40	3.63	-67.61
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCCC1	REAL300013807362	1	52	0.0	-62.68	398.88	5.04	-57.64
CC1CN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCC1C(=O)[O-]	REAL300013807363	1	52	0.0	-68.53	387.48	6.19	-62.34
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCC1	REAL300013807364	1	49	0.0	-60.62	381.77	4.19	-56.43
O=C([O-])CC(CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C1CC1	REAL300013807365	1	52	0.0	-71.45	405.92	4.96	-66.49
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC1	REAL300013807366	1	52	0.0	-71.55	388.31	5.78	-65.77
CC(C)C[C@H](CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)CC(=O)[O-]	REAL300013807367	1	57	0.0	-68.40	426.91	5.42	-62.98
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300013807368	1	49	0.0	-68.41	391.79	5.20	-63.21
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807369	1	53	0.0	-73.05	412.11	4.16	-68.89
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807370	1	46	0.0	-68.33	365.85	3.56	-64.77
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=NC(N3CCOCC3)=C2)CC1	REAL300013807371	1	54	0.0	-38.99	414.94	4.50	-34.49
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807372	1	49	0.0	-55.43	374.36	5.45	-49.98
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807373	1	49	0.0	-57.72	375.59	5.51	-52.21
O=C([O-])C1CC(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807374	1	46	0.0	-70.37	365.75	3.59	-66.78
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807375	1	46	0.0	-70.85	365.71	3.59	-67.26
O=C([O-])C1=CC(CNC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)=CC=C1	REAL300013807376	1	49	0.0	-74.70	398.18	5.08	-69.62
CCC(CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300013807377	1	48	0.0	-62.18	379.42	3.66	-58.52
O=C([O-])CCC1CCCCN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300013807378	1	55	0.0	-78.69	408.22	6.85	-71.84
O=C([O-])CCCCCCCNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300013807379	1	57	0.0	-74.47	446.41	6.11	-68.36
O=C([O-])CCCCCCNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300013807380	1	54	0.0	-75.30	424.91	5.33	-69.97
CN(CCCC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300013807381	1	48	0.0	-72.60	378.05	5.38	-67.22
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807382	1	52	0.0	-76.86	389.72	6.24	-70.62
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807383	1	56	0.0	-80.67	421.85	5.38	-75.29
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300013807384	1	52	0.0	-55.87	409.73	4.74	-51.13
O=C([O-])CCC1CCCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807385	1	55	0.0	-59.44	415.23	6.90	-52.54
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC2=CC=CC=C21	REAL300013807386	1	53	0.0	-76.11	407.49	8.22	-67.89
O=C([O-])C(=O)N1CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC1	REAL300013807387	1	50	0.0	-66.22	387.39	4.23	-61.99
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300013807388	1	52	0.0	-56.45	390.11	6.07	-50.38
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807389	1	50	0.0	-73.49	384.47	3.04	-70.45
O=C([O-])C1CC(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C2=CC=CC=C21	REAL300013807390	1	53	0.0	-70.69	418.53	6.23	-64.46
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC1	REAL300013807391	1	56	0.0	-76.29	419.76	4.90	-71.39
O=C([O-])C12CC(NC(=O)NCC3=CC=[NH+]C(N4CCOCC4)=C3)(C1)C2	REAL300013807392	1	47	0.0	-76.13	375.61	3.78	-72.35
O=C([O-])CC1(CNC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCCCC1	REAL300013807393	1	58	0.0	-66.86	421.84	5.74	-61.12
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC1	REAL300013807394	1	52	0.0	-64.87	396.43	5.21	-59.66
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC1	REAL300013807395	1	55	0.0	-73.68	419.23	5.47	-68.21
O=C([O-])CC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC1	REAL300013807396	1	52	0.0	-65.59	392.59	6.15	-59.44
O=C([O-])COC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC1	REAL300013807397	1	53	0.0	-75.05	409.13	5.54	-69.51
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807398	1	52	0.0	-70.26	400.84	4.78	-65.48
O=C([O-])C1CCCC(NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807399	1	52	0.0	-66.67	396.39	5.20	-61.47
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCCOC1	REAL300013807400	1	53	0.0	-60.84	402.76	3.35	-57.49
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCOC1	REAL300013807401	1	50	0.0	-60.69	387.56	2.32	-58.37
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=[NH+]C(N3CCOCC3)=C1)C2	REAL300013807402	1	47	0.0	-68.63	377.05	4.27	-64.36
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC1	REAL300013807403	1	46	0.0	-59.15	366.06	3.93	-55.22
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CC12CCC2	REAL300013807404	1	53	0.0	-62.61	402.66	6.25	-56.36
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCO1	REAL300013807405	1	50	0.0	-76.80	382.78	4.71	-72.09
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807406	1	43	0.0	-63.70	346.69	3.77	-59.93
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807407	1	53	0.0	-57.42	407.71	4.48	-52.94
O=C([O-])C1CCN(C(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013807408	1	46	0.0	-71.64	361.52	4.56	-67.08
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=[NH+]C(N3CCOCC3)=C1)C2	REAL300013807409	1	47	0.0	-75.70	376.31	4.28	-71.42
CC(CCC(=O)[O-])NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300013807410	1	48	0.0	-66.53	380.17	4.00	-62.53
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C(=O)[O-])CC2)C=[NH+]1	REAL300013807411	1	50	0.0	-65.84	385.02	9.00	-56.84
CCN(CC)C1=CC=C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300013807412	1	50	0.0	-69.49	409.06	8.62	-60.87
CCN(CC)C1=CC=C(CNC(=O)N2CCOC(C(=O)[O-])C2)C=[NH+]1	REAL300013807413	1	48	0.0	-54.47	378.10	7.45	-47.02
CCN(CC)C1=CC=C(CNC(=O)NC2CCC(C(=O)[O-])CC2)C=[NH+]1	REAL300013807414	1	53	0.0	-59.50	405.94	8.70	-50.80
CCN(CC)C1=CC=C(CNC(=O)NCCCCC(=O)[O-])C=[NH+]1	REAL300013807415	1	49	0.0	-68.41	392.79	7.29	-61.12
CCN(CC)C1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300013807416	1	50	0.0	-68.25	409.06	8.61	-59.64
CCN(CC)C1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=[NH+]1	REAL300013807417	1	52	0.0	-67.15	414.29	8.07	-59.08
CCN(CC)C1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=[NH+]1	REAL300013807418	1	49	0.0	-68.38	385.24	7.17	-61.21
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C=[NH+]1	REAL300013807419	1	50	0.0	-68.18	388.57	8.60	-59.58
CCN(CC)C1=CC=C(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C=[NH+]1	REAL300013807420	1	53	0.0	-51.05	402.13	9.85	-41.20
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=[NH+]1	REAL300013807421	1	53	0.0	-67.84	399.21	9.31	-58.53
CCN(CC)C1=CC=C(CNC(=O)NCCCC(=O)[O-])C=[NH+]1	REAL300013807422	1	46	0.0	-62.86	371.30	6.51	-56.35
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C=[NH+]1	REAL300013807423	1	53	0.0	-51.31	401.20	9.43	-41.88
CCN(CC)C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=[NH+]1	REAL300013807424	1	54	0.0	-57.59	411.38	6.68	-50.91
CCN(CC)C1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=[NH+]1	REAL300013807425	1	52	0.0	-63.82	404.58	7.40	-56.42
CCN(CC)C1=CC=C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C=[NH+]1	REAL300013807426	1	55	0.0	-54.34	414.24	8.53	-45.81
CCN(CC)C1=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=[NH+]1	REAL300013807427	1	46	0.0	-66.14	367.47	6.45	-59.69
CCN(CC)C1=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C=[NH+]1	REAL300013807428	1	52	0.0	-56.15	401.83	7.77	-48.38
CCN(CC)C1=CC=C(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=[NH+]1	REAL300013807429	1	59	0.0	-69.81	444.09	9.07	-60.74
CCN(CC)C1=CC=C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300013807430	1	56	0.0	-57.39	440.17	9.83	-47.56
CCN(CC)C1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300013807431	1	50	0.0	-60.33	392.72	7.77	-52.56
CCN(CC)C1=CC=C(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C=[NH+]1	REAL300013807432	1	56	0.0	-69.02	425.82	10.45	-58.57
CCN(CC)C1=CC=C(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C=[NH+]1	REAL300013807433	1	52	0.0	-65.52	402.43	7.27	-58.25
CCN(CC)C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300013807434	1	53	0.0	-57.51	409.75	8.56	-48.95
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C=[NH+]1	REAL300013807435	1	53	0.0	-64.41	398.37	9.74	-54.67
CCN(CC)C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCC2)C=[NH+]1	REAL300013807436	1	50	0.0	-54.10	392.68	7.72	-46.38
CCN(CC)C1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C=[NH+]1	REAL300013807437	1	53	0.0	-67.34	416.81	8.49	-58.85
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=[NH+]1	REAL300013807438	1	53	0.0	-67.84	399.21	9.31	-58.53
CCN(CC)C1=CC=C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=[NH+]1	REAL300013807439	1	58	0.0	-60.58	443.20	9.12	-51.46
CCN(CC)C1=CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=[NH+]1	REAL300013807440	1	50	0.0	-60.61	402.68	8.72	-51.89
CCN(CC)C1=CC=C(CNC(=O)N2CCC(COC)(C(=O)[O-])C2)C=[NH+]1	REAL300013807441	1	54	0.0	-69.96	420.81	8.55	-61.41
CCN(CC)C1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300013807442	1	47	0.0	-63.60	376.72	7.08	-56.52
CCN(CC)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013807443	1	55	0.0	-40.87	425.02	7.97	-32.90
CCN(CC)C1=CC=C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300013807444	1	50	0.0	-51.66	385.24	8.98	-42.68
CCN(CC)C1=CC=C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C=[NH+]1	REAL300013807445	1	50	0.0	-52.58	386.47	9.04	-43.54
CCN(CC)C1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C2)C=[NH+]1	REAL300013807446	1	47	0.0	-63.10	376.76	7.08	-56.02
CCN(CC)C1=CC=C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=[NH+]1	REAL300013807447	1	47	0.0	-65.82	376.29	7.13	-58.69
CCN(CC)C1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300013807448	1	50	0.0	-68.25	409.06	8.61	-59.64
CCC(CNC(=O)NCC1=CC=C(N(CC)CC)[NH+]=C1)C(=O)[O-]	REAL300013807449	1	49	0.0	-58.20	390.30	7.18	-51.02
CCN(CC)C1=CC=C(CNC(=O)N2CCCCC2CCC(=O)[O-])C=[NH+]1	REAL300013807450	1	56	0.0	-72.85	419.49	10.38	-62.47
CCN(CC)C1=CC=C(CNC(=O)NCCCCCCCC(=O)[O-])C=[NH+]1	REAL300013807451	1	58	0.0	-69.34	457.29	9.64	-59.70
CCN(CC)C1=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=[NH+]1	REAL300013807452	1	55	0.0	-70.21	435.79	8.86	-61.35
CCN(CC)C1=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=[NH+]1	REAL300013807453	1	49	0.0	-68.57	388.92	8.93	-59.64
CCN(CC)C1=CC=C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C=[NH+]1	REAL300013807454	1	53	0.0	-71.84	400.63	9.77	-62.07
CCN(CC)C1=CC=C(CNC(=O)N2CCCC(COC)(C(=O)[O-])C2)C=[NH+]1	REAL300013807455	1	57	0.0	-75.21	431.24	9.64	-65.57
CCN(CC)C1=CC=C(CNC(=O)N(CCOC)CCC(=O)[O-])C=[NH+]1	REAL300013807456	1	53	0.0	-50.66	420.61	8.27	-42.39
CCN(CC)C1=CC=C(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C=[NH+]1	REAL300013807457	1	56	0.0	-71.05	426.12	10.44	-60.61
CCN(CC)C1=CC=C(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C=[NH+]1	REAL300013807458	1	54	0.0	-73.01	418.40	11.76	-61.25
CCN(CC)C1=CC=C(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C=[NH+]1	REAL300013807459	1	51	0.0	-60.80	398.29	7.78	-53.02
CCN(CC)C1=CC=C(CNC(=O)N2CC(C(=O)[O-])CCC2C)C=[NH+]1	REAL300013807460	1	53	0.0	-53.29	402.41	9.62	-43.67
CCN(CC)C1=CC=C(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C=[NH+]1	REAL300013807461	1	57	0.0	-56.65	447.94	11.52	-45.13
CCN(CC)C1=CC=C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C=[NH+]1	REAL300013807462	1	51	0.0	-68.69	395.39	6.56	-62.13
CCN(CC)C1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C=[NH+]1	REAL300013807463	1	54	0.0	-65.06	427.26	9.63	-55.43
CCN(CC)C1=CC=C(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C=[NH+]1	REAL300013807464	1	57	0.0	-75.20	437.37	8.84	-66.36
CCN(CC)C1=CC=C(CNC(=O)N2CCC(COC)(C(=O)[O-])CC2)C=[NH+]1	REAL300013807465	1	57	0.0	-69.74	430.61	8.42	-61.32
CCN(CC)C1=CC=C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C=[NH+]1	REAL300013807466	1	48	0.0	-70.56	386.50	7.30	-63.26
CCN(CC)C1=CC=C(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C=[NH+]1	REAL300013807467	1	59	0.0	-60.78	432.70	9.29	-51.49
CCN(CC)C1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=[NH+]1	REAL300013807468	1	53	0.0	-59.55	405.94	8.70	-50.85
CCN(CC)C1=CC=C(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C=[NH+]1	REAL300013807469	1	56	0.0	-68.51	430.13	9.00	-59.51
CCN(CC)C1=CC=C(CNC(=O)N2CCC(CC(=O)[O-])CC2)C=[NH+]1	REAL300013807470	1	53	0.0	-68.26	403.50	9.67	-58.59
CCN(CC)C1=CC=C(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C=[NH+]1	REAL300013807471	1	54	0.0	-69.33	420.09	9.09	-60.24
CCN(CC)C1=CC=C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300013807472	1	53	0.0	-64.49	411.69	8.31	-56.18
CCN(CC)C1=CC=C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C=[NH+]1	REAL300013807473	1	53	0.0	-61.59	407.27	8.73	-52.86
CCN(CC)C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C=[NH+]1	REAL300013807474	1	54	0.0	-55.49	413.62	6.87	-48.62
CCN(CC)C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C=[NH+]1	REAL300013807475	1	51	0.0	-55.26	398.44	5.85	-49.41
CCN(CC)C1=CC=C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=[NH+]1	REAL300013807476	1	48	0.0	-62.62	388.20	7.80	-54.82
CCN(CC)C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CC2)C=[NH+]1	REAL300013807477	1	47	0.0	-53.80	376.94	7.45	-46.35
CCN(CC)C1=CC=C(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C=[NH+]1	REAL300013807478	1	54	0.0	-58.27	414.77	9.84	-48.43
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=[NH+]1	REAL300013807479	1	50	0.0	-63.36	405.21	8.89	-54.47
CCN(CC)C1=CC=C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C=[NH+]1	REAL300013807480	1	51	0.0	-71.80	393.66	8.25	-63.55
CCN(CC)C1=CC=C(CNC(=O)N2CC(C(=O)[O-])C2)C=[NH+]1	REAL300013807481	1	44	0.0	-58.82	357.54	7.29	-51.53
CCN(CC)C1=CC=C(CNC(=O)N2CC(OC)CC(C(=O)[O-])C2)C=[NH+]1	REAL300013807482	1	54	0.0	-54.13	416.83	8.09	-46.04
CCN(CC)C1=CC=C(CNC(=O)N2CCC(C(=O)[O-])C2)C=[NH+]1	REAL300013807483	1	47	0.0	-66.73	372.43	8.09	-58.64
CCN(CC)C1=CC=C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=[NH+]1	REAL300013807484	1	48	0.0	-70.27	387.17	7.82	-62.45
CCN(CC)C1=CC=C(CNC(=O)NC(C)CCC(=O)[O-])C=[NH+]1	REAL300013807485	1	49	0.0	-61.41	391.05	7.53	-53.88
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C(=O)[O-])CC3)=CC=N2)CC1	REAL300013807486	0	53	0.0	-73.08	401.39	7.40	-65.68
C[NH+]1CCN(C2=CC(CNC(=O)NCC3=CC=C(C(=O)[O-])C=C3)=CC=N2)CC1	REAL300013807487	0	53	0.0	-78.29	425.49	7.05	-71.24
C[NH+]1CCN(C2=CC(CNC(=O)N3CCOC(C(=O)[O-])C3)=CC=N2)CC1	REAL300013807488	0	51	0.0	-79.29	394.53	5.87	-73.42
C[NH+]1CCN(C2=CC(CNC(=O)NC3CCC(C(=O)[O-])CC3)=CC=N2)CC1	REAL300013807489	0	56	0.0	-80.38	428.16	6.73	-73.65
C[NH+]1CCN(C2=CC(CNC(=O)NCCCCC(=O)[O-])=CC=N2)CC1	REAL300013807490	0	52	0.0	-77.83	409.26	5.72	-72.11
C[NH+]1CCN(C2=CC(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)=CC=N2)CC1	REAL300013807491	0	53	0.0	-77.11	425.52	7.03	-70.08
C[NH+]1CCN(C2=CC(CNC(=O)NCCC(=O)[O-])=CC=N2)CC1	REAL300013807492	0	46	0.0	-74.99	366.26	4.14	-70.85
C[NH+]1CCN(C2=CC(CNC(=O)NCCCCCC(=O)[O-])=CC=N2)CC1	REAL300013807493	0	55	0.0	-76.21	430.75	6.50	-69.71
C[NH+]1CCN(C2=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=CC=N2)CC1	REAL300013807494	0	52	0.0	-77.88	401.70	5.60	-72.28
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C)(C(=O)[O-])C3)=CC=N2)CC1	REAL300013807495	0	53	0.0	-77.00	408.62	7.00	-70.00
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)C1	REAL300013807496	0	56	0.0	-63.42	417.93	8.25	-55.17
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)=CC=N2)CC1	REAL300013807497	0	56	0.0	-73.15	415.68	7.73	-65.42
C[NH+]1CCN(C2=CC(CNC(=O)NCCCC(=O)[O-])=CC=N2)CC1	REAL300013807498	0	49	0.0	-72.15	387.76	4.93	-67.22
CC1CCN(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)CC1C(=O)[O-]	REAL300013807499	0	56	0.0	-79.73	417.67	7.87	-71.86
C[NH+]1CCN(C2=CC(CNC(=O)NCC3(C(=O)[O-])CCOCC3)=CC=N2)CC1	REAL300013807500	0	57	0.0	-68.21	427.84	5.10	-63.11
C[NH+]1CCN(C2=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=CC=N2)CC1	REAL300013807501	0	55	0.0	-72.87	421.05	5.82	-67.05
CCC(CC)(CNC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300013807502	0	58	0.0	-70.90	433.35	6.62	-64.28
CC(CNC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300013807503	0	49	0.0	-76.19	383.94	4.88	-71.31
CC(C)C(CNC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300013807504	0	55	0.0	-64.90	418.30	6.19	-58.71
C[NH+]1CCN(C2=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=N2)CC1	REAL300013807505	0	53	0.0	-72.12	409.45	6.22	-65.90
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(CCC(=O)[O-])CC3)=CC=N2)CC1	REAL300013807506	0	59	0.0	-74.54	442.24	8.89	-65.65
C[NH+]1CCN(C2=CC(CNC(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)=CC=N2)CC1	REAL300013807507	0	55	0.0	-75.25	419.77	5.59	-69.66
C[NH+]1CCN(C2=CC(CNC(=O)NCC3(C(=O)[O-])CCCC3)=CC=N2)CC1	REAL300013807508	0	56	0.0	-68.55	426.21	6.99	-61.56
CC1CN(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)CCC1C(=O)[O-]	REAL300013807509	0	56	0.0	-69.77	414.83	8.15	-61.62
C[NH+]1CCN(C2=CC(CNC(=O)NCC3(C(=O)[O-])CCC3)=CC=N2)CC1	REAL300013807510	0	53	0.0	-67.19	409.11	6.14	-61.05
C[NH+]1CCN(C2=CC(CNC(=O)NCC(CC(=O)[O-])C3CC3)=CC=N2)CC1	REAL300013807511	0	56	0.0	-75.92	433.26	6.92	-69.00
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)=CC=N2)CC1	REAL300013807512	0	56	0.0	-73.15	415.68	7.73	-65.42
CC(C)C[C@H](CNC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)CC(=O)[O-]	REAL300013807513	0	61	0.0	-72.82	454.27	7.31	-65.51
C[NH+]1CCN(C2=CC(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])=CC=N2)CC1	REAL300013807514	0	53	0.0	-73.46	419.12	7.15	-66.31
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)C1	REAL300013807515	0	57	0.0	-76.27	439.47	6.12	-70.15
C[NH+]1CCN(C2=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=N2)CC1	REAL300013807516	0	50	0.0	-72.72	393.22	5.50	-67.22
C[NH+]1CCN(C2=CC(CNC(=O)NC3CCN(CC(=O)[O-])CC3)=CC=N2)CC1	REAL300013807517	0	58	0.0	-74.92	441.25	4.58	-70.34
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=N2)CC1	REAL300013807518	0	53	0.0	-63.45	401.69	7.40	-56.05
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=N2)CC1	REAL300013807519	0	53	0.0	-78.98	402.29	7.44	-71.54
C[NH+]1CCN(C2=CC(CNC(=O)NC3CC(C(=O)[O-])C3)=CC=N2)CC1	REAL300013807520	0	50	0.0	-72.71	393.22	5.50	-67.21
C[NH+]1CCN(C2=CC(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=N2)CC1	REAL300013807521	0	50	0.0	-74.25	392.69	5.55	-68.70
C[NH+]1CCN(C2=CC(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)=CC=N2)CC1	REAL300013807522	0	53	0.0	-77.11	425.52	7.03	-70.08
CCC(CNC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300013807523	0	52	0.0	-66.83	406.76	5.60	-61.23
C[NH+]1CCN(C2=CC(CNC(=O)N3CCCCC3CCC(=O)[O-])=CC=N2)CC1	REAL300013807524	0	59	0.0	-83.62	435.56	8.80	-74.82
C[NH+]1CCN(C2=CC(CNC(=O)NCCCCCCCC(=O)[O-])=CC=N2)CC1	REAL300013807525	0	61	0.0	-78.32	473.75	8.06	-70.26
C[NH+]1CCN(C2=CC(CNC(=O)NCCCCCCC(=O)[O-])=CC=N2)CC1	REAL300013807526	0	58	0.0	-79.49	452.25	7.28	-72.21
CN(CCCC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300013807527	0	52	0.0	-76.76	405.39	7.34	-69.42
C[NH+]1CCN(C2=CC(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)=CC=N2)CC1	REAL300013807528	0	56	0.0	-80.60	417.08	8.19	-72.41
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300013807529	0	56	0.0	-63.74	437.08	6.69	-57.05
C[NH+]1CCN(C2=CC(CNC(=O)N3CCCC(CCC(=O)[O-])C3)=CC=N2)CC1	REAL300013807530	0	59	0.0	-79.35	442.55	8.86	-70.49
C[NH+]1CCN(C2=CC(CNC(=O)N3CCN(C(=O)C(=O)[O-])CC3)=CC=N2)CC1	REAL300013807531	0	54	0.0	-69.20	414.76	6.19	-63.01
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300013807532	0	56	0.0	-66.25	417.44	8.02	-58.23
C[NH+]1CCN(C2=CC(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)=CC=N2)CC1	REAL300013807533	0	54	0.0	-78.14	411.84	4.99	-73.15
C[NH+]1CCN(C2=CC(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=N2)CC1	REAL300013807534	0	51	0.0	-79.68	402.96	5.72	-73.96
C[NH+]1CCN(C2=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)=CC=N2)CC1	REAL300013807535	0	56	0.0	-73.63	423.72	7.17	-66.46
C[NH+]1CCN(C2=CC(CNC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)=CC=N2)CC1	REAL300013807536	0	59	0.0	-77.13	446.56	7.42	-69.71
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(CC(=O)[O-])CC3)=CC=N2)CC1	REAL300013807537	0	56	0.0	-69.84	419.92	8.11	-61.73
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(OCC(=O)[O-])CC3)=CC=N2)CC1	REAL300013807538	0	57	0.0	-76.57	436.46	7.49	-69.08
C[NH+]1CCN(C2=CC(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)=CC=N2)CC1	REAL300013807539	0	56	0.0	-73.41	427.59	6.72	-66.69
C[NH+]1CCN(C2=CC(CNC(=O)NC3CCCC(C(=O)[O-])C3)=CC=N2)CC1	REAL300013807540	0	56	0.0	-69.89	423.73	7.16	-62.73
C[NH+]1CCN(C2=CC(CNC(=O)NCC3(C(=O)[O-])CCCOC3)=CC=N2)CC1	REAL300013807541	0	57	0.0	-68.55	430.10	5.29	-63.26
C[NH+]1CCN(C2=CC(CNC(=O)NCC3(C(=O)[O-])CCOC3)=CC=N2)CC1	REAL300013807542	0	54	0.0	-65.18	414.90	4.27	-60.91
C[NH+]1CCN(C2=CC(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=N2)CC1	REAL300013807543	0	51	0.0	-73.38	404.39	6.23	-67.15
C[NH+]1CCN(C2=CC(CNC(=O)NCC3(C(=O)[O-])CC3)=CC=N2)CC1	REAL300013807544	0	50	0.0	-66.46	393.40	5.87	-60.59
C[NH+]1CCN(C2=CC(CNC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)=CC=N2)CC1	REAL300013807545	0	57	0.0	-67.14	431.24	8.26	-58.88
C[NH+]1CCN(C2=CC(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)=CC=N2)CC1	REAL300013807546	0	54	0.0	-80.10	410.12	6.67	-73.43
C[NH+]1CCN(C2=CC(CNC(=O)N3CC(C(=O)[O-])C3)=CC=N2)CC1	REAL300013807547	0	47	0.0	-67.83	374.00	5.71	-62.12
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=NC(N3CC[NH+](C)CC3)=C2)C1	REAL300013807548	0	57	0.0	-61.53	435.05	6.44	-55.09
C[NH+]1CCN(C2=CC(CNC(=O)N3CCC(C(=O)[O-])C3)=CC=N2)CC1	REAL300013807549	0	50	0.0	-75.25	388.89	6.51	-68.74
C[NH+]1CCN(C2=CC(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=N2)CC1	REAL300013807550	0	51	0.0	-78.31	403.64	6.24	-72.07
CC(CCC(=O)[O-])NC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1	REAL300013807551	0	52	0.0	-72.25	407.52	5.95	-66.30
O=C([O-])C1CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC1	REAL300013807552	1	54	0.0	-66.59	395.42	8.24	-58.35
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C=C1	REAL300013807553	1	54	0.0	-70.48	418.45	7.86	-62.62
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCO1	REAL300013807554	1	52	0.0	-71.62	387.69	6.69	-64.93
O=C([O-])C1CCC(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC1	REAL300013807555	1	57	0.0	-71.79	421.08	7.55	-64.24
O=C([O-])CCCCNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013807556	1	53	0.0	-69.31	402.20	6.54	-62.77
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)=CC=C1	REAL300013807557	1	54	0.0	-69.24	418.46	7.85	-61.39
O=C([O-])CCNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013807558	1	47	0.0	-65.72	359.20	4.96	-60.76
O=C([O-])CCCCCNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013807559	1	56	0.0	-68.13	423.69	7.32	-60.81
CC(C)(CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807560	1	53	0.0	-69.04	394.64	6.42	-62.62
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807561	1	54	0.0	-68.12	401.55	7.81	-60.31
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807562	1	57	0.0	-51.80	411.51	9.09	-42.71
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC1	REAL300013807563	1	57	0.0	-67.27	408.26	8.55	-58.72
O=C([O-])CCCNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013807564	1	50	0.0	-63.72	380.70	5.75	-57.97
CC1CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC1C(=O)[O-]	REAL300013807565	1	57	0.0	-70.90	410.86	8.69	-62.21
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCOCC1	REAL300013807566	1	58	0.0	-54.74	421.77	5.74	-49.00
CC(C)(CCNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807567	1	56	0.0	-64.69	413.98	6.64	-58.05
CCC(CC)(CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807568	1	59	0.0	-57.09	426.29	7.44	-49.65
CC(CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807569	1	50	0.0	-66.79	376.87	5.70	-61.09
CC(C)C(CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807570	1	56	0.0	-56.64	411.23	7.01	-49.63
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807571	1	54	0.0	-61.19	402.12	7.01	-54.18
O=C([O-])CCC1CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC1	REAL300013807572	1	60	0.0	-69.82	436.24	9.70	-60.12
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1=CC=C(N3CCCCCC3)[NH+]=C1)C2	REAL300013807573	1	56	0.0	-67.49	412.20	6.39	-61.10
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCCC1	REAL300013807574	1	57	0.0	-56.34	419.15	7.81	-48.53
CC1CN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCC1C(=O)[O-]	REAL300013807575	1	57	0.0	-65.56	407.94	8.97	-56.59
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCC1	REAL300013807576	1	54	0.0	-54.74	402.07	6.96	-47.78
O=C([O-])CC(CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CC1	REAL300013807577	1	57	0.0	-67.79	426.28	7.74	-60.05
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC1	REAL300013807578	1	57	0.0	-67.27	408.26	8.55	-58.72
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)CC(=O)[O-]	REAL300013807579	1	62	0.0	-64.77	447.13	8.14	-56.63
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013807580	1	54	0.0	-60.94	412.08	7.96	-52.98
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807581	1	58	0.0	-70.20	432.42	6.94	-63.26
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807582	1	51	0.0	-63.92	385.77	6.32	-57.60
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3CCCCCC3)N=C2)CC1	REAL300013807583	1	59	0.0	-36.94	435.09	7.34	-29.60
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807584	1	54	0.0	-52.59	395.61	8.26	-44.33
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807585	1	54	0.0	-52.09	396.19	8.25	-43.84
O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807586	1	51	0.0	-63.91	386.16	6.32	-57.59
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807587	1	51	0.0	-66.68	385.65	6.37	-60.31
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)=CC=C1	REAL300013807588	1	54	0.0	-69.24	418.46	7.85	-61.39
CCC(CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807589	1	53	0.0	-58.72	399.70	6.42	-52.30
O=C([O-])CCC1CCCCN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013807590	1	60	0.0	-72.54	430.02	9.65	-62.89
O=C([O-])CCCCCCCNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013807591	1	62	0.0	-70.36	466.69	8.88	-61.48
O=C([O-])CCCCCCNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013807592	1	59	0.0	-71.16	445.19	8.10	-63.06
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013807593	1	53	0.0	-69.06	398.33	8.16	-60.90
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807594	1	57	0.0	-72.49	410.00	9.01	-63.48
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013807595	1	57	0.0	-50.18	430.01	7.51	-42.67
O=C([O-])CCC1CCCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807596	1	60	0.0	-72.05	435.82	9.70	-62.35
O=C([O-])C(=O)N1CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC1	REAL300013807597	1	55	0.0	-60.64	407.54	6.93	-53.71
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013807598	1	57	0.0	-53.89	412.82	8.86	-45.03
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807599	1	55	0.0	-69.13	404.91	5.80	-63.33
O=C([O-])C12CC(NC(=O)NCC3=CC=C(N4CCCCCC4)[NH+]=C3)(C1)C2	REAL300013807600	1	52	0.0	-71.39	395.91	6.55	-64.84
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC1	REAL300013807601	1	57	0.0	-60.41	415.34	7.93	-52.48
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC1	REAL300013807602	1	60	0.0	-69.69	439.52	8.24	-61.45
O=C([O-])CC1CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC1	REAL300013807603	1	57	0.0	-68.92	413.92	8.92	-60.00
O=C([O-])COC1CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC1	REAL300013807604	1	58	0.0	-70.28	430.49	8.33	-61.95
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807605	1	57	0.0	-65.35	421.09	7.55	-57.80
O=C([O-])C1CCCC(NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807606	1	57	0.0	-63.04	416.66	7.98	-55.06
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCCOC1	REAL300013807607	1	58	0.0	-54.63	423.03	6.11	-48.52
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCOC1	REAL300013807608	1	55	0.0	-57.23	407.84	5.09	-52.14
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=C(N3CCCCCC3)[NH+]=C1)C2	REAL300013807609	1	52	0.0	-64.18	397.64	7.04	-57.14
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC1	REAL300013807610	1	51	0.0	-52.70	385.98	6.59	-46.11
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CC12CCC2	REAL300013807611	1	58	0.0	-59.17	423.55	9.09	-50.08
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCO1	REAL300013807612	1	55	0.0	-72.74	403.33	7.50	-65.24
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807613	1	48	0.0	-59.20	366.92	6.53	-52.67
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807614	1	58	0.0	-54.71	427.23	7.34	-47.37
O=C([O-])C1CCN(C(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013807615	1	51	0.0	-67.37	381.83	7.33	-60.04
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=C(N3CCCCCC3)[NH+]=C1)C2	REAL300013807616	1	52	0.0	-71.13	396.58	7.07	-64.06
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013807617	1	53	0.0	-62.08	400.45	6.77	-55.31
CC1CN(C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])CC3)C=[NH+]2)CCO1	REAL300013807618	1	52	0.0	-70.02	394.99	5.96	-64.06
CC1CN(C2=CC=C(CNC(=O)NCC3=CC=C(C(=O)[O-])C=C3)C=[NH+]2)CCO1	REAL300013807619	1	52	0.0	-73.88	419.08	5.60	-68.28
CC1CN(C2=CC=C(CNC(=O)N3CCOC(C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807620	1	50	0.0	-74.81	388.16	4.43	-70.38
CC1CN(C2=CC=C(CNC(=O)NC3CCC(C(=O)[O-])CC3)C=[NH+]2)CCO1	REAL300013807621	1	55	0.0	-63.36	417.26	5.73	-57.63
CC1CN(C2=CC=C(CNC(=O)NCCCCC(=O)[O-])C=[NH+]2)CCO1	REAL300013807622	1	51	0.0	-72.69	402.82	4.28	-68.41
CC1CN(C2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=[NH+]2)CCO1	REAL300013807623	1	52	0.0	-73.76	419.08	5.59	-68.17
CC1CN(C2=CC=C(CNC(=O)NCCC(=O)[O-])C=[NH+]2)CCO1	REAL300013807624	1	45	0.0	-68.99	359.82	2.70	-66.29
CC1CN(C2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=[NH+]2)CCO1	REAL300013807625	1	54	0.0	-71.42	424.32	5.06	-66.36
CC1CN(C2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=[NH+]2)CCO1	REAL300013807626	1	51	0.0	-72.45	395.26	4.16	-68.29
CC1CN(C2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807627	1	52	0.0	-71.96	402.15	5.56	-66.40
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)C1	REAL300013807628	1	55	0.0	-55.24	411.49	6.81	-48.43
CC1CN(C2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=[NH+]2)CCO1	REAL300013807629	1	55	0.0	-72.29	408.63	6.29	-66.00
CC1CN(C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=[NH+]2)CCO1	REAL300013807630	1	48	0.0	-66.93	381.32	3.50	-63.43
CC1CN(C2=CC=C(CNC(=O)N3CCC(C)C(C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807631	1	55	0.0	-74.38	411.20	6.43	-67.95
CC1CN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCOCC3)C=[NH+]2)CCO1	REAL300013807632	1	56	0.0	-60.98	421.40	3.67	-57.31
CC1CN(C2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=[NH+]2)CCO1	REAL300013807633	1	54	0.0	-67.93	414.60	4.38	-63.55
CCC(CC)(CNC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300013807634	1	57	0.0	-59.77	426.91	5.18	-54.59
CC(CNC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300013807635	1	48	0.0	-70.64	378.37	3.46	-67.18
CC(C)C(CNC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300013807636	1	54	0.0	-57.97	411.85	4.75	-53.22
CC1CN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807637	1	52	0.0	-63.96	403.01	4.97	-58.99
CC1CN(C2=CC=C(CNC(=O)N3CCC(CCC(=O)[O-])CC3)C=[NH+]2)CCO1	REAL300013807638	1	58	0.0	-71.85	435.83	7.45	-64.40
CC1CN(C2=CC=C(CNC(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807639	1	54	0.0	-69.47	412.71	4.47	-65.00
CC1CN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=[NH+]2)CCO1	REAL300013807640	1	55	0.0	-60.77	419.78	5.55	-55.22
CC1CN(C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C(C)C3)C=[NH+]2)CCO1	REAL300013807641	1	55	0.0	-67.26	408.37	6.71	-60.55
CC1CN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCC3)C=[NH+]2)CCO1	REAL300013807642	1	52	0.0	-58.64	402.68	4.70	-53.94
CC1CN(C2=CC=C(CNC(=O)NCC(CC(=O)[O-])C3CC3)C=[NH+]2)CCO1	REAL300013807643	1	55	0.0	-69.96	426.82	5.49	-64.47
CC1CN(C2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=[NH+]2)CCO1	REAL300013807644	1	55	0.0	-72.29	408.63	6.29	-66.00
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)CC(=O)[O-]	REAL300013807645	1	60	0.0	-63.95	453.23	6.11	-57.84
CC1CN(C2=CC=C(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])C=[NH+]2)CCO1	REAL300013807646	1	52	0.0	-66.18	412.67	5.70	-60.48
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)C1	REAL300013807647	1	56	0.0	-73.78	430.81	5.53	-68.25
CC1CN(C2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807648	1	49	0.0	-67.43	387.00	4.28	-63.15
CC1CN(C2=CC=C(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=N2)CCO1	REAL300013807649	1	57	0.0	-42.73	436.56	4.66	-38.07
CC1CN(C2=CC=C(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807650	1	52	0.0	-54.12	395.51	6.18	-47.94
CC1CN(C2=CC=C(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807651	1	52	0.0	-74.46	396.09	6.22	-68.24
CC1CN(C2=CC=C(CNC(=O)NC3CC(C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807652	1	49	0.0	-67.73	386.79	4.06	-63.67
CC1CN(C2=CC=C(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807653	1	49	0.0	-69.42	386.25	4.12	-65.30
CC1CN(C2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=[NH+]2)CCO1	REAL300013807654	1	52	0.0	-73.76	419.08	5.59	-68.17
CCC(CNC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300013807655	1	51	0.0	-57.71	395.30	4.27	-53.44
CC1CN(C2=CC=C(CNC(=O)N3CCCCC3CCC(=O)[O-])C=[NH+]2)CCO1	REAL300013807656	1	58	0.0	-76.46	429.48	7.37	-69.09
CC1CN(C2=CC=C(CNC(=O)NCCCCCCCC(=O)[O-])C=[NH+]2)CCO1	REAL300013807657	1	60	0.0	-73.81	467.31	6.62	-67.19
CC1CN(C2=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=[NH+]2)CCO1	REAL300013807658	1	57	0.0	-74.58	445.81	5.84	-68.74
CC1CN(C2=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=[NH+]2)CCO1	REAL300013807659	1	51	0.0	-71.07	398.95	5.90	-65.17
CC1CN(C2=CC=C(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807660	1	55	0.0	-75.97	410.62	6.74	-69.23
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300013807661	1	55	0.0	-53.71	430.63	5.26	-48.45
CC1CN(C2=CC=C(CNC(=O)N3CCCC(CCC(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807662	1	58	0.0	-75.57	436.16	7.43	-68.14
CC1CN(C2=CC=C(CNC(=O)N3CCN(C(=O)C(=O)[O-])CC3)C=[NH+]2)CCO1	REAL300013807663	1	53	0.0	-65.42	408.32	4.75	-60.67
CC1CN(C2=CC=C(CNC(=O)N3CC(C(=O)[O-])CCC3C)C=[NH+]2)CCO1	REAL300013807664	1	55	0.0	-55.64	412.41	6.60	-49.04
CC1CN(C2=CC=C(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807665	1	53	0.0	-71.92	405.34	3.54	-68.38
CC1CN(C2=CC=C(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)C=[NH+]2)CCO1	REAL300013807666	1	50	0.0	-74.79	396.53	4.29	-70.50
CC1CN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=[NH+]2)CCO1	REAL300013807667	1	55	0.0	-63.37	417.25	5.73	-57.64
CC1CN(C2=CC=C(CNC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)C=[NH+]2)CCO1	REAL300013807668	1	58	0.0	-72.61	440.39	6.19	-66.42
CC1CN(C2=CC=C(CNC(=O)N3CCC(CC(=O)[O-])CC3)C=[NH+]2)CCO1	REAL300013807669	1	55	0.0	-64.50	413.52	6.67	-57.83
CC1CN(C2=CC=C(CNC(=O)N3CCC(OCC(=O)[O-])CC3)C=[NH+]2)CCO1	REAL300013807670	1	56	0.0	-74.33	430.06	6.05	-68.28
CC1CN(C2=CC=C(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807671	1	55	0.0	-68.08	421.47	5.50	-62.58
CC1CN(C2=CC=C(CNC(=O)NC3CCCC(C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807672	1	55	0.0	-68.95	421.18	5.28	-63.67
CC1CN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCOC3)C=[NH+]2)CCO1	REAL300013807673	1	56	0.0	-58.72	423.65	3.85	-54.87
CC1CN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCOC3)C=[NH+]2)CCO1	REAL300013807674	1	53	0.0	-58.58	408.46	2.83	-55.75
CC1CN(C2=CC=C(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=[NH+]2)CCO1	REAL300013807675	1	50	0.0	-68.13	398.27	4.78	-63.35
CC1CN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CC3)C=[NH+]2)CCO1	REAL300013807676	1	49	0.0	-57.10	386.96	4.44	-52.66
CC1CN(C2=CC=C(CNC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)C=[NH+]2)CCO1	REAL300013807677	1	56	0.0	-61.84	424.76	6.81	-55.03
CC1CN(C2=CC=C(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807678	1	53	0.0	-75.97	403.67	5.23	-70.74
CC1CN(C2=CC=C(CNC(=O)N3CC(C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807679	1	46	0.0	-62.35	367.56	4.28	-58.07
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCOC(C)C3)[NH+]=C2)C1	REAL300013807680	1	56	0.0	-55.89	428.61	5.00	-50.89
CC1CN(C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013807681	1	49	0.0	-70.59	382.43	5.08	-65.51
CC1CN(C2=CC=C(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=[NH+]2)CCO1	REAL300013807682	1	50	0.0	-74.20	397.17	4.81	-69.39
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1	REAL300013807683	1	51	0.0	-64.16	401.07	4.51	-59.65
O=C([O-])C1CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1	REAL300013807684	1	51	0.0	-67.16	383.01	7.89	-59.27
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C=C1	REAL300013807685	1	51	0.0	-70.94	407.05	7.51	-63.43
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCO1	REAL300013807686	1	49	0.0	-72.12	375.89	6.18	-65.94
O=C([O-])C1CCC(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1	REAL300013807687	1	54	0.0	-72.49	409.69	7.21	-65.28
O=C([O-])CCCCNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013807688	1	50	0.0	-69.87	390.55	6.02	-63.85
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)=CC=C1	REAL300013807689	1	51	0.0	-69.79	406.81	7.34	-62.45
O=C([O-])CCNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013807690	1	44	0.0	-66.29	347.55	4.45	-61.84
O=C([O-])CCCCCNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013807691	1	53	0.0	-68.66	412.04	6.80	-61.86
CC(C)(CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807692	1	50	0.0	-69.71	382.40	5.92	-63.79
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807693	1	51	0.0	-69.20	389.90	7.29	-61.91
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807694	1	54	0.0	-51.42	400.13	8.75	-42.67
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1	REAL300013807695	1	54	0.0	-69.38	396.36	8.03	-61.35
O=C([O-])CCCNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013807696	1	47	0.0	-64.16	369.05	5.24	-58.92
CC1CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1C(=O)[O-]	REAL300013807697	1	54	0.0	-71.76	398.96	8.17	-63.59
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCOCC1	REAL300013807698	1	55	0.0	-57.24	409.14	5.40	-51.84
CC(C)(CCNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807699	1	53	0.0	-65.22	401.75	6.11	-59.11
CCC(CC)(CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807700	1	56	0.0	-57.18	414.64	6.92	-50.26
CC(CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807701	1	47	0.0	-67.95	366.09	5.20	-62.75
CC(C)C(CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807702	1	53	0.0	-55.36	399.58	6.50	-48.86
CC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013807703	1	60	0.0	-72.95	445.06	8.28	-64.67
CC(CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013807704	1	57	0.0	-56.26	434.01	8.76	-47.50
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807705	1	51	0.0	-61.43	390.73	6.67	-54.76
O=C([O-])CCC1CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1	REAL300013807706	1	57	0.0	-68.98	423.56	9.19	-59.79
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1=CC=C(N3CCCCC3)[NH+]=C1)C2	REAL300013807707	1	53	0.0	-67.05	400.50	6.17	-60.88
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCCC1	REAL300013807708	1	54	0.0	-56.36	407.75	7.46	-48.90
CC1CN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCC1C(=O)[O-]	REAL300013807709	1	54	0.0	-65.78	396.37	8.64	-57.14
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCC1	REAL300013807710	1	51	0.0	-54.71	390.68	6.61	-48.10
O=C([O-])CC(CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CC1	REAL300013807711	1	54	0.0	-67.37	414.55	7.22	-60.15
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1	REAL300013807712	1	54	0.0	-69.38	396.36	8.03	-61.35
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)CC(=O)[O-]	REAL300013807713	1	59	0.0	-63.63	435.56	7.62	-56.01
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013807714	1	51	0.0	-61.57	400.42	7.46	-54.11
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807715	1	55	0.0	-71.46	418.82	7.45	-64.01
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807716	1	48	0.0	-64.41	374.14	5.81	-58.60
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3CCCCC3)N=C2)CC1	REAL300013807717	1	56	0.0	-40.92	423.44	6.90	-34.02
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807718	1	51	0.0	-52.04	382.99	7.71	-44.33
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807719	1	51	0.0	-52.45	383.55	7.73	-44.72
O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807720	1	48	0.0	-64.57	374.52	5.81	-58.76
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807721	1	48	0.0	-67.19	374.25	6.03	-61.16
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)=CC=C1	REAL300013807722	1	51	0.0	-69.79	406.81	7.34	-62.45
CCC(CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013807723	1	50	0.0	-55.11	383.03	6.01	-49.10
O=C([O-])CCC1CCCCN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013807724	1	57	0.0	-73.72	417.56	9.30	-64.42
O=C([O-])CCCCCCCNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013807725	1	59	0.0	-70.95	455.04	8.37	-62.58
O=C([O-])CCCCCCNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013807726	1	56	0.0	-71.86	433.54	7.58	-64.28
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013807727	1	50	0.0	-68.49	386.67	7.64	-60.85
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807728	1	54	0.0	-73.32	398.62	8.67	-64.65
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807729	1	58	0.0	-76.77	429.25	8.56	-68.21
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013807730	1	54	0.0	-50.72	418.36	7.00	-43.72
O=C([O-])CCC1CCCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807731	1	57	0.0	-72.67	424.11	9.33	-63.34
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC2=CC=CC=C21	REAL300013807732	1	55	0.0	-74.13	416.39	10.64	-63.49
O=C([O-])C(=O)N1CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1	REAL300013807733	1	52	0.0	-62.49	396.05	6.50	-55.99
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013807734	1	54	0.0	-53.67	400.41	8.52	-45.15
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807735	1	52	0.0	-69.21	393.08	5.28	-63.93
O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C2=CC=CC=C21	REAL300013807736	1	55	0.0	-68.22	429.74	8.74	-59.48
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1	REAL300013807737	1	58	0.0	-72.61	428.37	7.16	-65.45
O=C([O-])C12CC(NC(=O)NCC3=CC=C(N4CCCCC4)[NH+]=C3)(C1)C2	REAL300013807738	1	49	0.0	-72.14	384.26	6.04	-66.10
O=C([O-])CC1(CNC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCCCC1	REAL300013807739	1	60	0.0	-61.58	430.69	8.18	-53.40
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1	REAL300013807740	1	54	0.0	-60.51	403.95	7.59	-52.92
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1	REAL300013807741	1	57	0.0	-70.07	427.88	7.73	-62.34
O=C([O-])CC1CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1	REAL300013807742	1	54	0.0	-61.57	401.25	8.41	-53.16
O=C([O-])COC1CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1	REAL300013807743	1	55	0.0	-71.44	417.79	7.80	-63.64
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807744	1	54	0.0	-65.80	409.68	7.21	-58.59
O=C([O-])C1CCCC(NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807745	1	54	0.0	-62.75	405.01	7.46	-55.29
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCCOC1	REAL300013807746	1	55	0.0	-54.71	411.63	5.77	-48.94
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCOC1	REAL300013807747	1	52	0.0	-57.45	396.44	4.74	-52.71
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=C(N3CCCCC3)[NH+]=C1)C2	REAL300013807748	1	49	0.0	-65.24	385.99	6.52	-58.72
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC1	REAL300013807749	1	48	0.0	-53.96	374.69	6.18	-47.78
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CC12CCC2	REAL300013807750	1	55	0.0	-59.18	412.77	8.74	-50.44
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCO1	REAL300013807751	1	52	0.0	-73.21	391.41	6.98	-66.23
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807752	1	45	0.0	-59.59	355.29	6.02	-53.57
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807753	1	55	0.0	-52.97	416.34	6.74	-46.23
O=C([O-])C1CCN(C(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013807754	1	48	0.0	-68.04	370.43	6.99	-61.05
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=C(N3CCCCC3)[NH+]=C1)C2	REAL300013807755	1	49	0.0	-71.78	385.17	6.73	-65.05
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013807756	1	50	0.0	-61.43	388.80	6.26	-55.17
CCCOC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013807788	1	52	0.0	-40.55	406.00	7.30	-33.25
CCOC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013807859	1	49	0.0	-37.04	384.50	6.49	-30.55
CCCCOC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013807931	1	55	0.0	-36.71	427.50	8.08	-28.63
CCCCOC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1OC	REAL300013808005	1	59	0.0	-39.11	456.74	7.97	-31.14
COC1=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1OC(C)C	REAL300013808119	1	56	0.0	-39.05	431.27	6.97	-32.08
CCCOC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1OC	REAL300013808191	1	56	0.0	-38.94	434.85	7.15	-31.79
CCCCOC1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013808264	1	58	0.0	-42.83	448.61	8.82	-34.01
CC(C)OC1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013808336	1	55	0.0	-43.07	423.53	7.86	-35.21
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=NC(N3C=CC=N3)=C2)CC1	REAL300013808411	1	48	0.0	-40.90	388.75	6.78	-34.12
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3C=NC=N3)N=C2)CC1	REAL300013808486	1	47	0.0	-41.43	383.51	8.10	-33.33
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=NC(OC3CCCC3)=C2)CC1	REAL300013808562	1	55	0.0	-37.71	425.65	6.11	-31.60
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(OC3CCCC3)N=C2)CC1	REAL300013808635	1	55	0.0	-37.54	426.00	6.13	-31.41
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CN=C2OC2CCCC2)CC1	REAL300013808708	1	55	0.0	-37.84	424.98	6.19	-31.65
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=NC(OCC(F)(F)F)=C2)CC1	REAL300013808779	1	48	0.0	-38.37	401.27	4.34	-34.03
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(OCC(F)(F)F)N=C2)CC1	REAL300013808845	1	48	0.0	-38.69	401.61	4.36	-34.33
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CN=C2OCC(F)(F)F)CC1	REAL300013808911	1	48	0.0	-39.23	400.59	4.42	-34.81
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=NC(OCC3=CC=CC=C3)=C2)CC1	REAL300013808977	1	55	0.0	-39.28	442.00	6.96	-32.32
COC1=NC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013809032	1	45	0.0	-38.43	359.17	3.02	-35.41
CCOC1=NC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013809096	1	48	0.0	-38.18	381.02	3.96	-34.22
O=C([O-])C1CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC1	REAL300013809136	1	49	0.0	-72.36	376.70	5.75	-66.61
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C=C1	REAL300013809137	1	49	0.0	-76.08	400.82	5.37	-70.71
O=C([O-])C1CN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCO1	REAL300013809138	1	47	0.0	-60.96	369.86	4.23	-56.73
O=C([O-])C1CCC(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC1	REAL300013809139	1	52	0.0	-66.84	397.70	5.43	-61.41
O=C([O-])CCCCNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300013809140	1	48	0.0	-76.14	384.56	4.05	-72.09
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)=CC=C1	REAL300013809141	1	49	0.0	-75.66	400.83	5.36	-70.30
O=C([O-])CCNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300013809142	1	42	0.0	-73.34	341.56	2.47	-70.87
O=C([O-])CCCCCNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300013809143	1	51	0.0	-74.41	406.06	4.83	-69.58
CC(C)(CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300013809144	1	48	0.0	-76.77	377.00	3.93	-72.84
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809145	1	49	0.0	-77.28	380.27	5.37	-71.91
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809146	1	52	0.0	-57.95	398.53	6.35	-51.60
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC1	REAL300013809147	1	52	0.0	-74.57	390.35	6.07	-68.50
O=C([O-])CCCNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300013809148	1	45	0.0	-70.18	363.06	3.27	-66.91
CC1CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC1C(=O)[O-]	REAL300013809149	1	52	0.0	-57.07	387.25	6.00	-51.07
O=C([O-])C1(CNC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCOCC1	REAL300013809150	1	53	0.0	-63.95	403.15	3.43	-60.52
CC(C)(CCNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300013809151	1	51	0.0	-71.16	395.76	4.14	-67.02
CCC(CC)(CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300013809152	1	54	0.0	-62.16	404.84	5.23	-56.93
CC(CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300013809153	1	45	0.0	-74.45	359.23	3.21	-71.24
CC(C)C(CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300013809154	1	51	0.0	-64.17	393.59	4.52	-59.65
CC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013809155	1	58	0.0	-79.54	436.04	5.83	-73.71
CC(CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013809156	1	55	0.0	-66.55	431.93	6.59	-59.96
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809157	1	49	0.0	-70.45	383.68	4.46	-65.99
O=C([O-])CCC1CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC1	REAL300013809158	1	55	0.0	-73.93	417.56	7.23	-66.70
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C2	REAL300013809159	1	51	0.0	-73.55	394.18	4.06	-69.49
O=C([O-])C1(CNC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCCC1	REAL300013809160	1	52	0.0	-63.90	401.52	5.32	-58.58
CC1CN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCC1C(=O)[O-]	REAL300013809161	1	52	0.0	-73.27	390.09	6.50	-66.77
O=C([O-])C1(CNC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCC1	REAL300013809162	1	49	0.0	-61.56	384.38	4.49	-57.07
O=C([O-])CC(CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C1CC1	REAL300013809163	1	52	0.0	-76.15	408.80	5.23	-70.92
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC1	REAL300013809164	1	52	0.0	-74.57	390.35	6.07	-68.50
CC(C)C[C@H](CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)CC(=O)[O-]	REAL300013809165	1	57	0.0	-74.34	429.60	5.67	-68.67
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300013809166	1	49	0.0	-69.17	394.37	5.49	-63.68
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809167	1	53	0.0	-78.86	414.86	4.63	-74.23
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809168	1	46	0.0	-70.38	368.42	3.86	-66.52
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CN=C2N2CCOCC2)CC1	REAL300013809169	1	54	0.0	-39.11	417.28	4.64	-34.47
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809170	1	49	0.0	-57.25	376.93	5.75	-51.50
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809171	1	49	0.0	-78.97	377.47	5.80	-73.17
O=C([O-])C1CC(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809172	1	46	0.0	-70.42	368.44	3.86	-66.56
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809173	1	46	0.0	-73.06	368.30	3.90	-69.16
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)=CC=C1	REAL300013809174	1	49	0.0	-75.66	400.83	5.36	-70.30
CCC(CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300013809175	1	48	0.0	-66.10	382.06	3.93	-62.17
O=C([O-])CCC1CCCCN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300013809176	1	55	0.0	-82.76	410.77	7.15	-75.61
O=C([O-])CCCCCCCNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300013809177	1	57	0.0	-76.40	449.05	6.39	-70.01
O=C([O-])CCCCCCNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300013809178	1	54	0.0	-77.65	427.56	5.61	-72.04
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300013809179	1	48	0.0	-77.81	380.69	5.66	-72.15
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809180	1	52	0.0	-79.90	392.32	6.54	-73.36
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809181	1	56	0.0	-83.80	424.45	5.68	-78.12
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300013809182	1	52	0.0	-55.78	412.37	5.01	-50.77
O=C([O-])CCC1CCCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809183	1	55	0.0	-79.24	417.81	7.22	-72.02
O=C([O-])C1CN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC2=CC=CC=C21	REAL300013809184	1	53	0.0	-84.63	410.10	8.53	-76.10
O=C([O-])C(=O)N1CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC1	REAL300013809185	1	50	0.0	-67.58	389.78	4.56	-63.02
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300013809186	1	52	0.0	-57.60	392.94	6.34	-51.26
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809187	1	50	0.0	-59.01	387.07	3.33	-55.68
O=C([O-])C1CC(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C2=CC=CC=C21	REAL300013809188	1	53	0.0	-74.02	423.42	6.63	-67.39
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC1	REAL300013809189	1	56	0.0	-77.33	422.31	5.20	-72.13
O=C([O-])C12CC(NC(=O)NCC3=CC=C[NH+]=C3N3CCOCC3)(C1)C2	REAL300013809190	1	47	0.0	-78.48	378.19	4.09	-74.39
O=C([O-])CC1(CNC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCCCC1	REAL300013809191	1	58	0.0	-69.33	424.39	6.06	-63.27
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC1	REAL300013809192	1	52	0.0	-66.55	397.64	5.47	-61.08
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC1	REAL300013809193	1	55	0.0	-75.28	421.81	5.77	-69.51
O=C([O-])CC1CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC1	REAL300013809194	1	52	0.0	-66.74	395.24	6.46	-60.28
O=C([O-])COC1CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC1	REAL300013809195	1	53	0.0	-76.53	411.77	5.84	-70.69
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809196	1	52	0.0	-71.61	403.37	5.09	-66.52
O=C([O-])C1CCCC(NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809197	1	52	0.0	-68.78	398.95	5.51	-63.27
O=C([O-])C1(CNC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCCOC1	REAL300013809198	1	53	0.0	-62.47	405.39	3.62	-58.85
O=C([O-])C1(CNC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCOC1	REAL300013809199	1	50	0.0	-64.10	390.20	2.60	-61.50
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C2	REAL300013809200	1	47	0.0	-70.45	379.60	4.59	-65.86
O=C([O-])C1(CNC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC1	REAL300013809201	1	46	0.0	-60.15	368.63	4.23	-55.92
O=C([O-])C1CN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CC12CCC2	REAL300013809202	1	53	0.0	-64.02	405.23	6.55	-57.47
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCO1	REAL300013809203	1	50	0.0	-79.86	385.29	5.01	-74.85
O=C([O-])C1CN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809204	1	43	0.0	-66.31	349.30	4.04	-62.27
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809205	1	53	0.0	-59.09	408.69	4.88	-54.21
O=C([O-])C1CCN(C(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013809206	1	46	0.0	-74.76	364.13	4.87	-69.89
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C2	REAL300013809207	1	47	0.0	-77.98	378.88	4.59	-73.39
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300013809208	1	48	0.0	-67.87	382.82	4.27	-63.60
O=C([O-])C1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1	REAL300013809209	0	52	0.0	-70.92	394.12	9.93	-60.99
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C=C1	REAL300013809210	0	52	0.0	-76.26	418.20	9.56	-66.70
O=C([O-])C1CN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCO1	REAL300013809211	0	50	0.0	-65.13	387.24	8.39	-56.74
O=C([O-])C1CCC(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1	REAL300013809212	0	55	0.0	-67.06	416.40	9.69	-57.37
O=C([O-])CCCCNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300013809213	0	51	0.0	-76.17	404.21	8.33	-67.84
O=C([O-])C1=CC(CNC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)=CC=C1	REAL300013809214	0	52	0.0	-78.90	420.48	9.66	-69.24
O=C([O-])CCNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300013809215	0	45	0.0	-73.59	361.22	6.76	-66.83
O=C([O-])CCCCCNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300013809216	0	54	0.0	-74.88	425.71	9.12	-65.76
CC(C)(CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300013809217	0	51	0.0	-76.29	396.07	8.22	-68.07
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809218	0	52	0.0	-82.49	398.44	9.58	-72.91
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809219	0	55	0.0	-57.93	410.61	10.76	-47.17
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1	REAL300013809220	0	55	0.0	-77.16	407.75	10.24	-66.92
O=C([O-])CCCNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300013809221	0	48	0.0	-70.96	382.72	7.55	-63.41
CC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1C(=O)[O-]	REAL300013809222	0	55	0.0	-57.26	404.70	10.18	-47.08
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCOCC1	REAL300013809223	0	56	0.0	-67.32	421.52	7.43	-59.89
CC(C)(CCNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300013809224	0	54	0.0	-71.82	415.42	8.43	-63.39
CCC(CC)(CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300013809225	0	57	0.0	-68.57	425.66	9.57	-59.00
CC(CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300013809226	0	48	0.0	-74.73	378.89	7.50	-67.23
CC(C)C(CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300013809227	0	54	0.0	-68.75	412.24	8.85	-59.90
CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013809228	0	61	0.0	-76.43	456.40	10.49	-65.94
CC(CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013809229	0	58	0.0	-65.14	447.68	11.08	-54.06
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809230	0	52	0.0	-71.16	402.69	8.79	-62.37
O=C([O-])CCC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1	REAL300013809231	0	58	0.0	-74.32	434.96	11.40	-62.92
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1=CC=CC(C[NH+]3CCCC3)=C1)C2	REAL300013809232	0	54	0.0	-80.19	411.89	8.09	-72.10
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCCC1	REAL300013809233	0	55	0.0	-69.81	418.89	9.50	-60.31
CC1CN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCC1C(=O)[O-]	REAL300013809234	0	55	0.0	-73.87	407.51	10.67	-63.20
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCC1	REAL300013809235	0	52	0.0	-67.84	400.91	8.81	-59.03
O=C([O-])CC(CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1CC1	REAL300013809236	0	55	0.0	-74.18	425.94	9.44	-64.74
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1	REAL300013809237	0	55	0.0	-77.16	407.75	10.24	-66.92
CC(C)C[C@H](CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)CC(=O)[O-]	REAL300013809238	0	60	0.0	-71.22	446.93	9.88	-61.34
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300013809239	0	52	0.0	-77.14	411.80	9.67	-67.47
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809240	0	56	0.0	-81.14	432.16	8.64	-72.50
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809241	0	49	0.0	-72.27	385.45	8.02	-64.25
O=C([O-])CN1CCC(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1	REAL300013809242	0	57	0.0	-73.43	433.94	7.10	-66.33
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809243	0	52	0.0	-60.61	394.33	9.92	-50.69
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809244	0	52	0.0	-64.35	395.55	9.98	-54.37
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809245	0	49	0.0	-72.30	385.80	8.06	-64.24
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809246	0	49	0.0	-74.09	385.67	8.06	-66.03
O=C([O-])C1=CC(CNC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)=CC=C1	REAL300013809247	0	52	0.0	-78.90	420.48	9.66	-69.24
CCC(CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300013809248	0	51	0.0	-65.93	401.72	8.22	-57.71
O=C([O-])CCC1CCCCN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300013809249	0	58	0.0	-83.69	428.27	11.32	-72.37
O=C([O-])CCCCCCCNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300013809250	0	60	0.0	-76.78	468.71	10.68	-66.10
O=C([O-])CCCCCCNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300013809251	0	57	0.0	-77.78	447.21	9.90	-67.88
CN(CCCC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300013809252	0	51	0.0	-74.78	400.34	9.97	-64.81
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809253	0	55	0.0	-79.28	409.77	10.71	-68.57
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809254	0	59	0.0	-83.36	441.90	9.85	-73.51
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300013809255	0	55	0.0	-62.77	432.03	9.31	-53.46
O=C([O-])CCC1CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809256	0	58	0.0	-79.01	435.26	11.38	-67.63
O=C([O-])C1CN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC2=CC=CC=C21	REAL300013809257	0	56	0.0	-79.42	427.58	12.70	-66.72
O=C([O-])C(=O)N1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1	REAL300013809258	0	53	0.0	-68.54	407.44	8.71	-59.83
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300013809259	0	55	0.0	-60.98	410.15	10.54	-50.44
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809260	0	53	0.0	-75.74	404.54	7.50	-68.24
O=C([O-])C1CC(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C2=CC=CC=C21	REAL300013809261	0	56	0.0	-73.18	438.58	10.70	-62.48
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1	REAL300013809262	0	59	0.0	-80.30	439.76	9.37	-70.93
O=C([O-])C12CC(NC(=O)NCC3=CC=CC(C[NH+]4CCCC4)=C3)(C1)C2	REAL300013809263	0	50	0.0	-77.87	395.71	8.25	-69.62
O=C([O-])CC1(CNC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCCCC1	REAL300013809264	0	61	0.0	-75.14	441.83	10.23	-64.91
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1	REAL300013809265	0	55	0.0	-71.27	415.24	9.62	-61.65
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1	REAL300013809266	0	58	0.0	-76.60	440.59	9.97	-66.63
O=C([O-])CC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1	REAL300013809267	0	55	0.0	-74.79	412.65	10.62	-64.17
O=C([O-])COC1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1	REAL300013809268	0	56	0.0	-78.45	429.17	10.01	-68.44
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809269	0	55	0.0	-73.40	419.53	9.18	-64.22
O=C([O-])C1CCCC(NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809270	0	55	0.0	-73.36	422.59	9.34	-64.02
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCCOC1	REAL300013809271	0	56	0.0	-67.68	422.77	7.81	-59.87
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCOC1	REAL300013809272	0	53	0.0	-64.26	407.58	6.79	-57.47
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=CC(C[NH+]3CCCC3)=C1)C2	REAL300013809273	0	50	0.0	-73.68	397.62	8.80	-64.88
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC1	REAL300013809274	0	49	0.0	-65.89	386.08	8.40	-57.49
O=C([O-])C1CN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CC12CCC2	REAL300013809275	0	56	0.0	-65.93	423.91	10.78	-55.15
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809276	0	52	0.0	-66.39	414.93	9.79	-56.60
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCO1	REAL300013809277	0	53	0.0	-79.08	402.75	9.18	-69.90
O=C([O-])C1CN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809278	0	46	0.0	-67.26	366.68	8.23	-59.03
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809279	0	56	0.0	-62.78	426.71	9.08	-53.70
O=C([O-])C1CCN(C(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013809280	0	49	0.0	-74.73	381.57	9.02	-65.71
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=CC(C[NH+]3CCCC3)=C1)C2	REAL300013809281	0	50	0.0	-76.84	396.73	8.76	-68.08
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300013809282	0	51	0.0	-71.00	402.47	8.57	-62.43
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300013809283	0	54	0.0	-70.22	405.83	10.21	-60.01
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300013809284	0	54	0.0	-75.40	423.83	9.49	-65.91
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300013809285	0	52	0.0	-64.51	398.25	8.65	-55.86
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300013809286	0	57	0.0	-66.14	422.04	9.61	-56.53
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCCCCC(=O)[O-])=C1	REAL300013809287	0	53	0.0	-75.36	413.86	8.50	-66.86
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013809288	0	54	0.0	-78.12	430.13	9.81	-68.31
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCCC(=O)[O-])=C1	REAL300013809289	0	47	0.0	-72.73	370.86	6.92	-65.81
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCCCCCC(=O)[O-])=C1	REAL300013809290	0	56	0.0	-73.88	435.35	9.28	-64.60
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300013809291	0	53	0.0	-75.49	405.71	8.39	-67.10
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300013809292	0	54	0.0	-80.57	404.11	9.51	-71.06
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)=C1	REAL300013809293	0	57	0.0	-56.28	422.59	11.04	-45.24
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013809294	0	57	0.0	-71.66	420.07	10.53	-61.13
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013809295	0	50	0.0	-70.19	392.36	7.72	-62.47
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300013809296	0	57	0.0	-62.73	416.68	10.44	-52.29
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013809297	0	58	0.0	-66.48	433.44	7.70	-58.78
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013809298	0	56	0.0	-70.98	425.64	8.60	-62.38
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300013809299	0	59	0.0	-67.18	433.51	9.70	-57.48
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC(C)C(=O)[O-])=C1	REAL300013809300	0	50	0.0	-74.25	389.41	7.68	-66.57
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013809301	0	56	0.0	-69.50	421.86	8.53	-60.97
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300013809302	0	63	0.0	-76.00	462.03	10.42	-65.58
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013809303	0	60	0.0	-64.58	457.32	11.24	-53.34
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013809304	0	54	0.0	-67.73	407.57	8.64	-59.09
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)=C1	REAL300013809305	0	60	0.0	-73.40	440.60	11.32	-62.08
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1	REAL300013809306	0	56	0.0	-79.55	417.53	8.02	-71.53
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013809307	0	57	0.0	-68.83	424.53	9.44	-59.39
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)=C1	REAL300013809308	0	57	0.0	-68.27	413.15	10.60	-57.67
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300013809309	0	54	0.0	-66.32	407.46	8.60	-57.72
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013809310	0	57	0.0	-73.16	430.93	9.41	-63.75
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300013809311	0	57	0.0	-71.66	420.07	10.53	-61.13
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300013809312	0	62	0.0	-69.94	452.51	9.83	-60.11
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013809313	0	54	0.0	-76.10	417.45	9.59	-66.51
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(COC)(C(=O)[O-])C2)=C1	REAL300013809314	0	58	0.0	-79.99	437.83	8.57	-71.42
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013809315	0	51	0.0	-71.83	391.11	7.96	-63.87
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)=C1	REAL300013809316	0	59	0.0	-72.54	445.72	7.39	-65.15
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013809317	0	54	0.0	-60.27	399.93	9.86	-50.41
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300013809318	0	54	0.0	-77.10	406.64	10.23	-66.87
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300013809319	0	51	0.0	-71.54	397.72	8.33	-63.21
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300013809320	0	51	0.0	-72.67	397.63	8.33	-64.34
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300013809321	0	54	0.0	-78.12	430.13	9.81	-68.31
CCC(CNC(=O)NCC1=CC=CC(C[NH+](CC)CC)=C1)C(=O)[O-]	REAL300013809322	0	53	0.0	-64.84	405.07	8.05	-56.79
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCCCC2CCC(=O)[O-])=C1	REAL300013809323	0	60	0.0	-81.22	432.87	11.25	-69.97
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCCCCCCCC(=O)[O-])=C1	REAL300013809324	0	62	0.0	-75.91	472.07	10.50	-65.41
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCCCCCCC(=O)[O-])=C1	REAL300013809325	0	59	0.0	-76.82	456.85	10.06	-66.76
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(C)CCCC(=O)[O-])=C1	REAL300013809326	0	53	0.0	-73.64	403.70	9.78	-63.86
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300013809327	0	57	0.0	-78.13	415.40	10.64	-67.49
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300013809328	0	61	0.0	-82.54	453.62	10.10	-72.44
CC[NH+](CC)CC1=CC=CC(CNC(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300013809329	0	57	0.0	-61.87	435.39	9.14	-52.73
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300013809330	0	60	0.0	-77.61	438.76	11.26	-66.35
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300013809331	0	58	0.0	-78.00	433.21	12.63	-65.37
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)=C1	REAL300013809332	0	55	0.0	-67.58	417.98	8.86	-58.72
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300013809333	0	57	0.0	-62.19	422.06	10.79	-51.40
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300013809334	0	55	0.0	-74.60	410.18	7.43	-67.17
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300013809335	0	58	0.0	-72.27	444.22	10.63	-61.64
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(COC)(C(=O)[O-])CC2)=C1	REAL300013809336	0	61	0.0	-72.21	450.75	9.61	-62.60
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300013809337	0	52	0.0	-76.80	401.28	8.18	-68.62
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300013809338	0	63	0.0	-75.16	447.38	10.16	-65.00
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300013809339	0	57	0.0	-70.37	420.73	9.57	-60.80
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300013809340	0	60	0.0	-75.30	452.53	10.23	-65.07
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300013809341	0	57	0.0	-73.99	424.37	10.88	-63.11
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)=C1	REAL300013809342	0	58	0.0	-73.30	440.90	10.30	-63.00
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300013809343	0	57	0.0	-72.49	425.96	9.16	-63.33
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300013809344	0	57	0.0	-72.56	432.22	9.50	-63.06
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300013809345	0	58	0.0	-66.91	430.99	7.99	-58.92
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300013809346	0	55	0.0	-63.34	413.22	6.71	-56.63
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013809347	0	52	0.0	-72.78	408.98	9.01	-63.77
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300013809348	0	51	0.0	-65.13	398.00	8.66	-56.47
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300013809349	0	58	0.0	-66.80	428.94	10.70	-56.10
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300013809350	0	55	0.0	-78.37	413.77	9.44	-68.93
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC(C(=O)[O-])C2)=C1	REAL300013809351	0	48	0.0	-66.67	378.60	8.50	-58.17
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CC(OC)CC(C(=O)[O-])C2)=C1	REAL300013809352	0	58	0.0	-62.00	432.35	9.01	-52.99
CC[NH+](CC)CC1=CC=CC(CNC(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300013809353	0	51	0.0	-73.01	387.19	8.96	-64.05
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300013809354	0	52	0.0	-76.30	408.08	9.02	-67.28
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C)CCC(=O)[O-])=C1	REAL300013809355	0	53	0.0	-70.23	412.11	8.73	-61.50
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(CN3C=CN=C3)=C2)CC1	REAL300013809523	1	52	0.0	-41.83	416.42	9.53	-32.30
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC(C3=CC=CC=C3)CC2)CC1	REAL300013809597	1	55	0.0	-40.86	412.33	9.36	-31.50
N#CC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013809677	1	43	0.0	-40.05	354.00	6.65	-33.40
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300013809743	1	48	0.0	-35.99	380.80	7.97	-28.02
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1OC(F)F	REAL300013809818	1	49	0.0	-40.31	389.22	7.19	-33.12
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC(F)=CC=C1F	REAL300013809890	1	45	0.0	-37.09	361.23	7.26	-29.83
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3(CC2)OCCO3)CC1	REAL300013809962	1	51	0.0	-37.07	380.59	4.79	-32.28
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2CN2CCCC2=O)CC1	REAL300013810035	1	56	0.0	-40.17	432.39	8.79	-31.38
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300013810070	0	58	0.0	-73.41	431.05	9.66	-63.75
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300013810071	0	58	0.0	-76.18	459.01	9.60	-66.58
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300013810072	0	56	0.0	-78.65	424.16	8.13	-70.52
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300013810073	0	61	0.0	-78.68	461.65	9.28	-69.40
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C1	REAL300013810074	0	57	0.0	-76.76	442.75	8.26	-68.50
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013810075	0	58	0.0	-76.45	455.20	9.30	-67.15
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCCC(=O)[O-])C=C1	REAL300013810076	0	51	0.0	-74.13	395.94	6.42	-67.71
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C1	REAL300013810077	0	60	0.0	-75.06	464.25	9.04	-66.02
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300013810078	0	57	0.0	-77.24	434.61	8.15	-69.09
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300013810079	0	58	0.0	-79.65	435.44	9.33	-70.32
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C=C1	REAL300013810080	0	61	0.0	-63.09	448.13	10.54	-52.55
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013810081	0	61	0.0	-75.31	445.30	10.00	-65.31
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013810082	0	54	0.0	-71.36	421.26	7.48	-63.88
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300013810083	0	61	0.0	-79.42	451.08	10.42	-69.00
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013810084	0	60	0.0	-71.84	454.54	8.37	-63.47
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300013810085	0	63	0.0	-68.17	463.03	8.90	-59.27
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=C1	REAL300013810086	0	54	0.0	-75.06	413.61	7.17	-67.89
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300013810087	0	60	0.0	-70.23	457.04	8.64	-61.59
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013810088	0	58	0.0	-69.15	438.86	8.46	-60.69
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013810089	0	61	0.0	-68.55	455.89	9.26	-59.29
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C=C1	REAL300013810090	0	61	0.0	-72.74	448.28	10.70	-62.04
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCC2)C=C1	REAL300013810091	0	58	0.0	-66.92	437.92	8.56	-58.36
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300013810092	0	61	0.0	-77.10	462.99	9.29	-67.81
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300013810093	0	61	0.0	-75.31	445.30	10.00	-65.31
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013810094	0	58	0.0	-75.07	448.80	9.42	-65.65
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013810095	0	55	0.0	-71.97	426.72	8.05	-63.92
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013810096	0	58	0.0	-62.75	431.32	9.66	-53.09
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300013810097	0	58	0.0	-78.69	431.54	9.70	-68.99
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300013810098	0	55	0.0	-71.84	422.51	7.78	-64.06
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300013810099	0	55	0.0	-73.22	426.56	8.09	-65.13
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300013810100	0	58	0.0	-76.45	455.20	9.30	-67.15
CCC(CNC(=O)NCC1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300013810101	0	57	0.0	-69.75	440.26	8.15	-61.60
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=C1	REAL300013810102	0	63	0.0	-78.16	485.75	9.82	-68.34
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=C1	REAL300013810103	0	57	0.0	-77.67	435.07	9.62	-68.05
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300013810104	0	61	0.0	-79.36	450.54	10.74	-68.62
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300013810105	0	61	0.0	-61.38	466.76	8.97	-52.41
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CC(C(=O)[O-])CCC2C)C=C1	REAL300013810106	0	61	0.0	-78.97	447.25	10.26	-68.71
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C=C1	REAL300013810107	0	59	0.0	-76.15	441.46	7.26	-68.89
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300013810108	0	56	0.0	-77.94	432.64	8.02	-69.92
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C=C1	REAL300013810109	0	61	0.0	-71.02	457.22	9.71	-61.31
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC(CC(=O)[O-])CC2)C=C1	REAL300013810110	0	61	0.0	-68.28	453.39	10.64	-57.64
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300013810111	0	61	0.0	-72.26	457.31	8.99	-63.27
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C=C1	REAL300013810112	0	61	0.0	-70.71	457.21	9.70	-61.01
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C=C1	REAL300013810113	0	59	0.0	-68.08	444.58	6.54	-61.54
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013810114	0	56	0.0	-72.77	437.87	8.77	-64.00
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300013810115	0	55	0.0	-64.98	422.72	8.03	-56.95
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300013810116	0	59	0.0	-79.26	439.75	8.93	-70.33
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CC(C(=O)[O-])C2)C=C1	REAL300013810117	0	52	0.0	-67.29	403.68	7.99	-59.30
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300013810118	0	55	0.0	-74.57	418.56	8.79	-65.78
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300013810119	0	56	0.0	-77.49	433.67	8.51	-68.98
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NC(C)CCC(=O)[O-])C=C1	REAL300013810120	0	57	0.0	-69.15	437.19	8.23	-60.92
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013810121	0	58	0.0	-70.68	429.98	9.70	-60.98
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013810122	0	58	0.0	-73.03	458.03	9.64	-63.39
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013810123	0	56	0.0	-69.15	422.63	8.17	-60.98
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013810124	0	61	0.0	-67.74	451.02	9.43	-58.31
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCCCCC(=O)[O-]	REAL300013810125	0	57	0.0	-70.06	437.86	8.03	-62.03
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013810126	0	58	0.0	-76.35	454.13	9.34	-67.01
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCCC(=O)[O-]	REAL300013810127	0	51	0.0	-66.05	394.86	6.45	-59.60
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCCCCCC(=O)[O-]	REAL300013810128	0	60	0.0	-69.55	459.36	8.81	-60.74
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013810129	0	57	0.0	-70.02	433.60	8.21	-61.81
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013810130	0	58	0.0	-66.87	438.26	9.64	-57.23
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013810131	0	61	0.0	-58.72	446.49	10.55	-48.17
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013810132	0	61	0.0	-73.64	447.68	10.34	-63.30
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013810133	0	54	0.0	-65.95	420.24	7.53	-58.42
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013810134	0	61	0.0	-71.70	450.10	10.45	-61.25
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013810135	0	60	0.0	-65.91	449.65	8.13	-57.78
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013810136	0	63	0.0	-57.13	465.83	9.21	-47.92
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC(C)C(=O)[O-]	REAL300013810137	0	54	0.0	-69.19	417.29	7.49	-61.70
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013810138	0	60	0.0	-56.07	452.15	8.39	-47.68
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013810139	0	58	0.0	-64.06	441.68	8.78	-55.28
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013810140	0	61	0.0	-65.29	454.82	9.31	-55.98
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013810141	0	61	0.0	-59.87	443.40	10.45	-49.42
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013810142	0	58	0.0	-63.67	441.66	8.73	-54.94
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013810143	0	61	0.0	-65.45	466.25	9.61	-55.84
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013810144	0	61	0.0	-73.64	447.68	10.34	-63.30
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013810145	0	58	0.0	-74.12	451.65	9.72	-64.40
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013810146	0	55	0.0	-67.05	421.80	7.81	-59.24
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013810147	0	58	0.0	-60.07	430.62	9.76	-50.31
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013810148	0	58	0.0	-57.43	435.41	10.06	-47.37
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1CC(C(=O)[O-])C1	REAL300013810149	0	55	0.0	-67.24	421.84	7.81	-59.43
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013810150	0	55	0.0	-66.42	425.55	8.13	-58.29
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013810151	0	58	0.0	-76.35	454.13	9.34	-67.01
CCC(CNC(=O)NCC1=CC=CC=C1OCC[NH+](CC)CC)C(=O)[O-]	REAL300013810152	0	57	0.0	-53.20	430.35	8.02	-45.18
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013810153	0	63	0.0	-73.10	484.74	9.87	-63.23
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(C)CCCC(=O)[O-]	REAL300013810154	0	57	0.0	-63.27	433.99	9.66	-53.61
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013810155	0	61	0.0	-71.81	449.69	10.78	-61.03
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N(CCOC)CCC(=O)[O-]	REAL300013810156	0	61	0.0	-59.34	465.68	9.01	-50.33
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013810157	0	61	0.0	-55.76	447.44	10.34	-45.42
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013810158	0	59	0.0	-66.96	444.31	7.57	-59.39
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013810159	0	56	0.0	-71.01	431.58	8.03	-62.98
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013810160	0	61	0.0	-58.79	452.33	9.48	-49.31
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013810161	0	61	0.0	-65.68	452.60	10.67	-55.01
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013810162	0	61	0.0	-69.32	456.76	9.04	-60.28
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013810163	0	61	0.0	-63.57	456.22	9.75	-53.82
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013810164	0	59	0.0	-54.54	443.52	6.58	-47.96
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013810165	0	56	0.0	-68.80	433.32	8.53	-60.27
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CC1	REAL300013810166	0	55	0.0	-60.33	422.02	8.20	-52.13
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013810167	0	59	0.0	-71.79	442.75	9.27	-62.52
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CC(C(=O)[O-])C1	REAL300013810168	0	52	0.0	-61.07	406.50	8.30	-52.77
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N1CCC(C(=O)[O-])C1	REAL300013810169	0	55	0.0	-66.03	417.50	8.83	-57.20
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013810170	0	56	0.0	-69.30	432.24	8.56	-60.74
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NC(C)CCC(=O)[O-]	REAL300013810171	0	57	0.0	-66.45	436.12	8.26	-58.19
CC1=CC(C)=NN1C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013810204	1	54	0.0	-41.65	428.50	8.21	-33.44
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])CC3)C=N2)CC1	REAL300013810240	0	56	0.0	-74.62	418.60	8.02	-66.60
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC3=CC=C(C(=O)[O-])C=C3)C=N2)CC1	REAL300013810241	0	56	0.0	-77.11	442.70	7.66	-69.45
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCOC(C(=O)[O-])C3)C=N2)CC1	REAL300013810242	0	54	0.0	-65.52	411.74	6.50	-59.02
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3CCC(C(=O)[O-])CC3)C=N2)CC1	REAL300013810243	0	59	0.0	-71.03	439.59	7.73	-63.30
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCCCC(=O)[O-])C=N2)CC1	REAL300013810244	0	55	0.0	-78.21	426.95	6.38	-71.83
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=N2)CC1	REAL300013810245	0	56	0.0	-78.34	442.71	7.65	-70.69
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCC(=O)[O-])C=N2)CC1	REAL300013810246	0	49	0.0	-75.88	383.95	4.80	-71.08
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=N2)CC1	REAL300013810247	0	58	0.0	-76.53	448.45	7.16	-69.37
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013810248	0	55	0.0	-78.59	418.81	6.28	-72.31
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])C3)C=N2)CC1	REAL300013810249	0	56	0.0	-81.24	422.94	7.68	-73.56
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CC(C)CC(C(=O)[O-])C3)C=N2)CC1	REAL300013810250	0	59	0.0	-63.44	435.63	8.91	-54.53
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=N2)CC1	REAL300013810251	0	59	0.0	-76.09	432.86	8.36	-67.73
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=N2)CC1	REAL300013810252	0	52	0.0	-72.77	405.45	5.60	-67.17
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C)C(C(=O)[O-])C3)C=N2)CC1	REAL300013810253	0	59	0.0	-80.09	434.79	8.48	-71.61
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013810254	0	58	0.0	-73.54	438.15	6.48	-67.06
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C=N2)CC1	REAL300013810255	0	61	0.0	-70.54	451.04	7.28	-63.26
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=N2)CC1	REAL300013810256	0	52	0.0	-76.84	401.63	5.55	-71.29
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C=N2)CC1	REAL300013810257	0	58	0.0	-69.32	434.98	6.89	-62.43
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013810258	0	56	0.0	-72.92	426.63	6.84	-66.08
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=N2)CC1	REAL300013810259	0	59	0.0	-70.19	443.91	7.65	-62.54
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C(C)C3)C=N2)CC1	REAL300013810260	0	59	0.0	-72.96	432.52	8.81	-64.15
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCC3)C=N2)CC1	REAL300013810261	0	56	0.0	-67.87	426.33	6.76	-61.11
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(CC(=O)[O-])C3CC3)C=N2)CC1	REAL300013810262	0	59	0.0	-78.28	450.45	7.54	-70.74
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)C=N2)CC1	REAL300013810263	0	59	0.0	-76.09	432.86	8.36	-67.73
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])C=N2)CC1	REAL300013810264	0	56	0.0	-76.90	436.32	7.76	-69.14
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013810265	0	53	0.0	-73.58	410.04	6.13	-67.45
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013810266	0	56	0.0	-66.43	420.13	8.10	-58.33
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)C=N2)CC1	REAL300013810267	0	56	0.0	-80.00	420.10	8.09	-71.91
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3CC(C(=O)[O-])C3)C=N2)CC1	REAL300013810268	0	53	0.0	-73.20	410.41	6.13	-67.07
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=N2)CC1	REAL300013810269	0	53	0.0	-74.98	409.90	6.17	-68.81
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=N2)CC1	REAL300013810270	0	56	0.0	-78.34	442.71	7.65	-70.69
CCC(CNC(=O)NCC1=CC=C(N2CC[NH+](CC)CC2)N=C1)C(=O)[O-]	REAL300013810271	0	55	0.0	-70.05	424.45	6.27	-63.78
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=N2)CC1	REAL300013810272	0	61	0.0	-79.61	469.95	7.94	-71.67
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=N2)CC1	REAL300013810273	0	55	0.0	-79.47	423.08	8.01	-71.46
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)C=N2)CC1	REAL300013810274	0	59	0.0	-63.68	434.30	8.82	-54.86
CC[NH+]1CCN(C2=CC=C(CNC(=O)N(CCOC)CCC(=O)[O-])C=N2)CC1	REAL300013810275	0	59	0.0	-63.18	454.77	7.36	-55.82
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CC(C(=O)[O-])CCC3C)C=N2)CC1	REAL300013810276	0	59	0.0	-62.89	434.66	8.65	-54.24
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)C=N2)CC1	REAL300013810277	0	57	0.0	-78.14	429.02	5.62	-72.52
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)C=N2)CC1	REAL300013810278	0	54	0.0	-79.96	420.15	6.36	-73.60
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=N2)CC1	REAL300013810279	0	59	0.0	-72.78	441.44	7.83	-64.95
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(CC(=O)[O-])CC3)C=N2)CC1	REAL300013810280	0	59	0.0	-69.30	437.15	8.73	-60.57
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013810281	0	59	0.0	-73.96	444.81	7.34	-66.62
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC3CCCC(C(=O)[O-])C3)C=N2)CC1	REAL300013810282	0	59	0.0	-71.34	441.41	7.82	-63.52
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCOC3)C=N2)CC1	REAL300013810283	0	57	0.0	-68.39	432.60	4.93	-63.46
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=N2)CC1	REAL300013810284	0	54	0.0	-73.90	421.56	6.85	-67.05
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CC3)C=N2)CC1	REAL300013810285	0	53	0.0	-66.89	411.09	6.54	-60.35
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)C=N2)CC1	REAL300013810286	0	57	0.0	-80.70	427.31	7.29	-73.41
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CC(C(=O)[O-])C3)C=N2)CC1	REAL300013810287	0	50	0.0	-68.91	391.18	6.34	-62.57
CC[NH+]1CCN(C2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C3)C=N2)CC1	REAL300013810288	0	53	0.0	-76.32	406.57	7.18	-69.14
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=N2)CC1	REAL300013810289	0	54	0.0	-79.13	420.84	6.86	-72.27
CC[NH+]1CCN(C2=CC=C(CNC(=O)NC(C)CCC(=O)[O-])C=N2)CC1	REAL300013810290	0	55	0.0	-71.65	425.21	6.62	-65.03
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300013810291	0	60	0.0	-74.03	445.70	8.89	-65.14
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300013810291	1	60	0.0	-74.74	446.08	8.93	-65.81
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCOC(C(=O)[O-])C3)C=C2)CC1	REAL300013810292	0	58	0.0	-67.20	439.34	7.41	-59.79
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCOC(C(=O)[O-])C3)C=C2)CC1	REAL300013810292	1	58	0.0	-82.47	439.17	7.40	-75.07
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C2)CC1	REAL300013810293	0	59	0.0	-76.21	453.53	7.21	-69.00
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C2)CC1	REAL300013810293	1	59	0.0	-79.82	453.90	7.23	-72.59
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCCC(=O)[O-])C=C2)CC1	REAL300013810294	0	53	0.0	-74.14	410.54	5.63	-68.51
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCCC(=O)[O-])C=C2)CC1	REAL300013810294	1	53	0.0	-77.40	410.90	5.66	-71.74
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300013810295	0	62	0.0	-74.99	475.03	7.99	-67.00
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300013810295	1	62	0.0	-77.84	475.40	8.01	-69.83
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013810296	0	59	0.0	-76.54	445.98	7.09	-69.45
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013810296	1	59	0.0	-80.54	446.34	7.11	-73.43
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300013810297	0	60	0.0	-79.24	450.53	8.59	-70.65
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300013810297	1	60	0.0	-83.63	450.40	8.58	-75.05
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013810298	0	56	0.0	-71.61	432.03	6.43	-65.18
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013810298	1	56	0.0	-74.02	432.40	6.45	-67.57
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013810299	0	62	0.0	-72.26	465.32	7.31	-64.95
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013810299	1	62	0.0	-74.71	465.10	7.33	-67.38
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=C2)CC1	REAL300013810300	0	56	0.0	-74.90	428.21	6.37	-68.53
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=C2)CC1	REAL300013810300	1	56	0.0	-78.48	428.57	6.39	-72.09
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C=C2)CC1	REAL300013810301	0	62	0.0	-69.56	461.56	7.72	-61.84
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C=C2)CC1	REAL300013810301	1	62	0.0	-69.55	461.93	7.74	-61.81
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013810302	0	60	0.0	-69.98	453.45	7.69	-62.29
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013810302	1	60	0.0	-71.44	453.82	7.71	-63.73
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300013810303	0	60	0.0	-64.91	452.51	7.78	-57.13
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300013810303	1	60	0.0	-68.77	453.78	7.66	-61.11
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013810304	0	57	0.0	-72.39	437.48	7.00	-65.39
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013810304	1	57	0.0	-74.32	437.52	7.02	-67.30
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013810305	0	60	0.0	-64.75	445.79	8.77	-55.98
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013810305	1	60	0.0	-64.05	446.34	8.92	-55.13
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013810306	0	60	0.0	-65.99	447.21	8.96	-57.03
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013810306	1	60	0.0	-65.58	447.57	8.98	-56.60
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC3CC(C(=O)[O-])C3)C=C2)CC1	REAL300013810307	0	57	0.0	-72.39	437.50	7.00	-65.39
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC3CC(C(=O)[O-])C3)C=C2)CC1	REAL300013810307	1	57	0.0	-74.26	437.48	7.02	-67.24
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013810308	0	57	0.0	-73.62	436.97	7.05	-66.57
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300013810308	1	57	0.0	-75.83	436.22	6.94	-68.89
CCC(CNC(=O)NCC1=CC=C(CN2CC[NH+](CC)CC2)C=C1)C(=O)[O-]	REAL300013810309	0	59	0.0	-70.62	451.03	7.10	-63.52
CCC(CNC(=O)NCC1=CC=C(C[NH+]2CCN(CC)CC2)C=C1)C(=O)[O-]	REAL300013810309	1	59	0.0	-70.94	451.40	7.12	-63.82
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=C2)CC1	REAL300013810310	0	59	0.0	-77.37	449.66	8.84	-68.53
CCN1CC[NH+](CC2=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=C2)CC1	REAL300013810310	1	59	0.0	-81.36	450.03	8.86	-72.50
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)CC1	REAL300013810311	0	58	0.0	-77.68	447.24	7.22	-70.46
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)CC1	REAL300013810311	1	58	0.0	-81.00	447.61	7.24	-73.76
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300013810312	0	58	0.0	-73.48	449.15	7.76	-65.72
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300013810312	1	58	0.0	-74.86	449.02	7.75	-67.11
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CC3)C=C2)CC1	REAL300013810313	0	57	0.0	-66.80	437.32	7.26	-59.54
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CC3)C=C2)CC1	REAL300013810313	1	57	0.0	-67.78	438.04	7.39	-60.39
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CC(C(=O)[O-])C3)C=C2)CC1	REAL300013810314	0	54	0.0	-68.43	418.06	7.29	-61.14
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CC(C(=O)[O-])C3)C=C2)CC1	REAL300013810314	1	54	0.0	-70.40	418.64	7.23	-63.17
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C3)C=C2)CC1	REAL300013810315	0	57	0.0	-74.35	433.67	8.05	-66.30
CCN1CC[NH+](CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C3)C=C2)CC1	REAL300013810315	1	57	0.0	-77.55	433.52	8.03	-69.52
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300013810316	0	58	0.0	-77.13	448.43	7.77	-69.36
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300013810316	1	58	0.0	-80.32	448.63	7.76	-72.56
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NC(C)CCC(=O)[O-])C=C2)CC1	REAL300013810317	0	59	0.0	-70.31	451.79	7.45	-62.86
CCN1CC[NH+](CC2=CC=C(CNC(=O)NC(C)CCC(=O)[O-])C=C2)CC1	REAL300013810317	1	59	0.0	-72.41	452.16	7.47	-64.94
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013810318	0	60	0.0	-74.00	438.83	9.52	-64.48
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013810318	1	60	0.0	-73.26	437.60	8.87	-64.39
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013810319	0	58	0.0	-65.46	434.12	8.10	-57.36
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013810319	1	58	0.0	-60.45	431.23	7.27	-53.18
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCCCCC(=O)[O-])CC1	REAL300013810320	0	59	0.0	-71.74	449.26	8.27	-63.47
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCCCC(=O)[O-])CC1	REAL300013810320	1	59	0.0	-68.22	444.78	8.13	-60.09
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCCC(=O)[O-])CC1	REAL300013810321	0	53	0.0	-65.48	406.26	6.69	-58.79
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCC(=O)[O-])CC1	REAL300013810321	1	53	0.0	-63.09	401.78	6.56	-56.53
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013810322	0	62	0.0	-68.98	470.76	9.05	-59.93
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013810322	1	62	0.0	-67.54	466.28	8.91	-58.63
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013810323	0	59	0.0	-70.27	440.30	8.05	-62.22
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013810323	1	59	0.0	-66.31	437.25	8.03	-58.28
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013810324	0	60	0.0	-71.69	441.37	8.52	-63.17
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013810324	1	60	0.0	-62.76	439.57	9.38	-53.38
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])CC1	REAL300013810325	0	56	0.0	-60.74	427.76	7.49	-53.25
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])CC1	REAL300013810325	1	56	0.0	-62.03	423.28	7.35	-54.68
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013810326	0	62	0.0	-61.34	461.05	8.37	-52.97
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013810326	1	62	0.0	-63.30	456.56	8.24	-55.06
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013810327	0	56	0.0	-66.22	424.80	7.45	-58.77
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013810327	1	56	0.0	-65.03	420.35	7.31	-57.72
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013810328	0	62	0.0	-38.76	455.17	7.97	-30.79
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013810328	1	62	0.0	-59.68	459.06	8.51	-51.17
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013810329	0	60	0.0	-54.62	448.14	8.95	-45.67
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013810329	1	60	0.0	-60.81	444.41	8.57	-52.24
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013810330	0	60	0.0	-57.67	449.31	8.60	-49.07
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013810330	1	60	0.0	-56.28	444.68	8.57	-47.71
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013810331	0	57	0.0	-63.96	432.68	8.39	-55.57
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013810331	1	57	0.0	-64.22	428.78	7.90	-56.32
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013810332	0	60	0.0	-49.37	438.79	9.64	-39.73
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013810332	1	60	0.0	-74.62	438.59	8.91	-65.71
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013810333	0	60	0.0	-72.08	441.73	9.31	-62.77
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013810333	1	60	0.0	-68.30	436.32	9.83	-58.47
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013810334	0	57	0.0	-64.53	433.35	8.00	-56.53
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013810334	1	57	0.0	-64.19	428.75	7.93	-56.26
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013810335	0	57	0.0	-61.12	433.01	8.10	-53.02
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013810335	1	57	0.0	-64.85	428.37	7.87	-56.98
CCC(CNC(=O)NCC1=CC=CC=C1CN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300013810336	0	59	0.0	-40.08	445.15	8.14	-31.94
CCC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300013810336	1	59	0.0	-47.73	434.63	7.97	-39.76
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013810337	0	59	0.0	-63.55	440.41	9.43	-54.12
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013810337	1	59	0.0	-61.12	439.77	9.73	-51.39
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013810338	0	58	0.0	-74.08	442.95	8.28	-65.80
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013810338	1	58	0.0	-70.98	438.22	8.07	-62.91
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013810339	0	58	0.0	-65.23	444.93	8.94	-56.29
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013810339	1	58	0.0	-65.48	440.25	8.62	-56.86
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013810340	0	57	0.0	-51.34	432.80	8.39	-42.95
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013810340	1	57	0.0	-54.11	428.96	8.30	-45.81
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013810341	0	54	0.0	-53.12	410.79	8.00	-45.12
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013810341	1	54	0.0	-57.13	409.06	8.01	-49.12
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013810342	0	57	0.0	-64.46	425.59	8.19	-56.27
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013810342	1	57	0.0	-63.36	422.38	8.86	-54.50
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013810343	0	58	0.0	-69.71	443.62	8.77	-60.94
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013810343	1	58	0.0	-68.46	438.02	8.55	-59.91
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NC(C)CCC(=O)[O-])CC1	REAL300013810344	0	59	0.0	-50.34	442.68	8.36	-41.98
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NC(C)CCC(=O)[O-])CC1	REAL300013810344	1	59	0.0	-62.98	443.04	8.37	-54.61
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])CC3)C=C2)C1	REAL300013810372	0	61	0.0	-75.27	453.09	11.87	-63.40
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCOC(C(=O)[O-])C3)C=C2)C1	REAL300013810373	0	59	0.0	-66.00	446.23	10.34	-55.66
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C2)C1	REAL300013810374	0	60	0.0	-78.61	460.92	10.19	-68.42
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NCCC(=O)[O-])C=C2)C1	REAL300013810375	0	54	0.0	-76.26	417.92	8.61	-67.65
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=C2)C1	REAL300013810376	0	63	0.0	-76.92	482.41	10.97	-65.95
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NCC(C)(C)C(=O)[O-])C=C2)C1	REAL300013810377	0	60	0.0	-79.01	452.77	10.07	-68.94
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)C1	REAL300013810378	0	61	0.0	-82.15	457.41	11.53	-70.62
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)C1	REAL300013810379	0	57	0.0	-73.30	439.42	9.40	-63.90
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)C1	REAL300013810380	0	63	0.0	-73.91	472.70	10.29	-63.62
CC(CNC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300013810381	0	57	0.0	-77.25	435.59	9.35	-67.90
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300013810382	0	63	0.0	-69.64	468.95	10.69	-58.95
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013810383	0	61	0.0	-70.59	453.79	10.61	-59.98
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCC3)C=C2)C1	REAL300013810384	0	61	0.0	-68.30	460.80	10.61	-57.69
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013810385	0	58	0.0	-73.81	444.55	9.97	-63.84
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013810386	0	61	0.0	-63.56	453.05	11.82	-51.74
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)C1	REAL300013810387	0	61	0.0	-81.60	453.64	11.85	-69.75
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC3CC(C(=O)[O-])C3)C=C2)C1	REAL300013810388	0	58	0.0	-73.37	438.18	9.98	-63.39
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)C1	REAL300013810389	0	58	0.0	-75.43	444.43	10.02	-65.41
CCC(CNC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300013810390	0	60	0.0	-69.24	453.50	10.29	-58.95
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N(C)CCCC(=O)[O-])C=C2)C1	REAL300013810391	0	60	0.0	-80.11	457.04	11.81	-68.30
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)C1	REAL300013810392	0	59	0.0	-80.53	454.63	10.20	-70.33
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)C1	REAL300013810393	0	59	0.0	-74.39	456.04	10.70	-63.69
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CC3)C=C2)C1	REAL300013810394	0	58	0.0	-66.40	444.71	10.24	-56.16
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CC(C(=O)[O-])C3)C=C2)C1	REAL300013810395	0	55	0.0	-69.96	425.45	10.27	-59.69
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N3CCC(C(=O)[O-])C3)C=C2)C1	REAL300013810396	0	58	0.0	-76.97	440.55	10.98	-65.99
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)C1	REAL300013810397	0	59	0.0	-80.04	455.35	10.66	-69.38
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1	REAL300013810398	0	60	0.0	-71.76	459.18	10.42	-61.34
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013810399	0	61	0.0	-69.14	446.78	12.08	-57.06
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013810400	0	59	0.0	-58.03	439.99	10.56	-47.47
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NCCCCC(=O)[O-])C1	REAL300013810401	0	60	0.0	-68.38	451.84	11.11	-57.27
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NCCC(=O)[O-])C1	REAL300013810402	0	54	0.0	-63.61	408.85	9.53	-54.08
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013810403	0	63	0.0	-67.63	473.34	11.89	-55.74
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013810404	0	60	0.0	-67.14	444.29	10.98	-56.16
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013810405	0	61	0.0	-63.70	451.12	11.74	-51.96
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])C1	REAL300013810406	0	57	0.0	-62.44	430.35	10.33	-52.11
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013810407	0	63	0.0	-63.55	463.63	11.21	-52.34
CC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013810408	0	57	0.0	-65.73	427.41	10.29	-55.44
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013810409	0	63	0.0	-48.47	457.75	11.41	-37.06
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013810410	0	61	0.0	-60.96	442.97	11.59	-49.37
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013810411	0	61	0.0	-56.87	452.00	11.48	-45.39
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013810412	0	58	0.0	-64.43	435.81	10.90	-53.53
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013810413	0	61	0.0	-55.48	436.59	11.77	-43.71
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013810414	0	61	0.0	-70.36	447.82	12.11	-58.25
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013810415	0	58	0.0	-64.49	435.74	10.90	-53.59
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013810416	0	58	0.0	-64.39	435.72	10.93	-53.46
CCC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013810417	0	60	0.0	-48.46	441.20	10.93	-37.53
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N(C)CCCC(=O)[O-])C1	REAL300013810418	0	60	0.0	-62.66	446.31	12.66	-50.00
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013810419	0	59	0.0	-70.46	448.32	10.43	-60.03
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013810420	0	59	0.0	-66.41	447.10	11.50	-54.91
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013810421	0	58	0.0	-54.64	435.99	11.26	-43.38
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CC(C(=O)[O-])C2)C1	REAL300013810422	0	55	0.0	-56.80	416.71	11.06	-45.74
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013810423	0	58	0.0	-64.18	428.85	11.79	-52.39
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013810424	0	59	0.0	-69.18	446.20	11.62	-57.56
CC(CCC(=O)[O-])NC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1	REAL300013810425	0	60	0.0	-59.79	445.30	11.04	-48.75
COCC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013810644	1	49	0.0	-41.02	388.21	6.00	-35.02
COCC1=CC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013810712	1	49	0.0	-36.52	382.89	6.13	-30.39
COCC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013810780	1	49	0.0	-37.23	388.20	5.99	-31.24
CCOCC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013810851	1	52	0.0	-40.92	410.06	6.97	-33.95
CCOCC1=CC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013810925	1	52	0.0	-36.35	404.73	7.11	-29.24
COC1=CC=C(CCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013811002	1	52	0.0	-38.29	405.25	7.09	-31.20
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=C3OCCOC3=C2)C2CC2)CC1	REAL300013811076	1	55	0.0	-38.55	416.98	7.96	-30.59
CC1=CC2=NC(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CN2C=C1	REAL300013811169	1	48	0.0	-40.73	381.56	7.42	-33.31
CNC(=O)CCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013811219	1	45	0.0	-41.03	353.95	2.32	-38.71
CC(C)COC1=CC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013811271	1	55	0.0	-36.32	425.03	8.03	-28.29
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC3=C2OCO3)CC1	REAL300013811342	1	45	0.0	-38.79	358.77	4.88	-33.91
CC(COC1=CC=CC(F)=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013811412	1	49	0.0	-37.71	388.41	6.85	-30.86
CC1CC[NH+](C(CNC(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300013811454	0	58	0.0	-68.53	416.23	10.91	-57.62
CC1CC[NH+](C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2)CC1	REAL300013811455	0	58	0.0	-75.24	447.47	10.95	-64.29
CC1CC[NH+](C(CNC(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811456	0	56	0.0	-55.88	414.25	10.65	-45.23
CC1CC[NH+](C(CNC(=O)NC2CCC(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300013811457	0	61	0.0	-67.42	444.35	11.03	-56.39
CC1CC[NH+](C(CNC(=O)NCCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013811458	0	57	0.0	-73.07	429.67	10.48	-62.59
CC1CC[NH+](C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2)CC1	REAL300013811459	0	58	0.0	-73.99	445.94	11.79	-62.20
CC1CC[NH+](C(CNC(=O)NCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013811460	0	51	0.0	-68.28	386.68	8.90	-59.38
CC1CC[NH+](C(CNC(=O)NCCCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013811461	0	60	0.0	-71.69	451.17	11.26	-60.43
CC1CC[NH+](C(CNC(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013811462	0	57	0.0	-72.41	422.12	10.35	-62.06
CC1CC[NH+](C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811463	0	58	0.0	-74.78	426.54	11.88	-62.90
CC1CC[NH+](C(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811464	0	61	0.0	-52.10	443.20	12.85	-39.25
CC1CC[NH+](C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300013811465	0	61	0.0	-70.97	435.17	12.57	-58.40
CC1CC[NH+](C(CNC(=O)NCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013811466	0	54	0.0	-66.19	408.18	9.70	-56.49
CC1CC[NH+](C(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811467	0	61	0.0	-74.51	437.28	12.64	-61.87
CC1CC[NH+](C(CNC(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013811468	0	60	0.0	-67.38	440.88	10.58	-56.80
CCC(CC)(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013811469	0	63	0.0	-56.74	450.86	11.67	-45.07
CC(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013811470	0	54	0.0	-70.07	404.35	9.65	-60.42
CC(C)C(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013811471	0	60	0.0	-57.17	437.22	10.98	-46.19
CC1CC[NH+](C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811472	0	58	0.0	-65.76	431.14	10.10	-55.66
CC1CC[NH+](C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C2=CC=CC=C2)CC1	REAL300013811473	0	61	0.0	-62.42	448.17	10.90	-51.52
CC1CC[NH+](C(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C2=CC=CC=C2)CC1	REAL300013811474	0	61	0.0	-71.68	434.47	12.92	-58.76
CC1CC[NH+](C(CNC(=O)NCC2(C(=O)[O-])CCC2)C2=CC=CC=C2)CC1	REAL300013811475	0	58	0.0	-60.59	431.09	10.05	-50.54
CC1CC[NH+](C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C2=CC=CC=C2)CC1	REAL300013811476	0	61	0.0	-68.51	454.26	11.77	-56.74
CC1CC[NH+](C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300013811477	0	61	0.0	-70.97	435.17	12.57	-58.40
CC1CC[NH+](C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013811478	0	58	0.0	-67.33	441.09	11.06	-56.27
CC1CC[NH+](C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811479	0	55	0.0	-68.38	414.47	9.38	-59.00
CC1CC[NH+](C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811480	0	58	0.0	-72.74	423.39	11.30	-61.44
CC1CC[NH+](C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811481	0	58	0.0	-75.86	417.07	10.94	-64.92
CC1CC[NH+](C(CNC(=O)NC2CC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811482	0	55	0.0	-66.21	413.54	10.37	-55.84
CC1CC[NH+](C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811483	0	55	0.0	-70.06	414.65	9.47	-60.59
CC1CC[NH+](C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2)CC1	REAL300013811484	0	58	0.0	-73.99	445.94	11.79	-62.20
CCC(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013811485	0	57	0.0	-56.96	421.77	10.55	-46.41
CC1CC[NH+](C(CNC(=O)NCCCCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013811486	0	63	0.0	-75.37	472.67	12.04	-63.33
CC1CC[NH+](C(CNC(=O)N(C)CCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013811487	0	57	0.0	-70.18	425.56	12.08	-58.10
CC1CC[NH+](C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811488	0	61	0.0	-74.12	438.61	12.08	-62.04
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300013811489	0	61	0.0	-49.93	457.24	11.44	-38.49
CC1CC[NH+](C(CNC(=O)N2CC(C(=O)[O-])CCC2C)C2=CC=CC=C2)CC1	REAL300013811490	0	61	0.0	-58.43	439.16	11.87	-46.56
CC1CC[NH+](C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811491	0	59	0.0	-59.07	434.08	8.92	-50.15
CC1CC[NH+](C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C2=CC=CC=C2)CC1	REAL300013811492	0	56	0.0	-75.78	423.76	10.58	-65.20
CC1CC[NH+](C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300013811493	0	61	0.0	-61.46	443.31	11.89	-49.57
CC1CC[NH+](C(CNC(=O)N2CCC(CC(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300013811494	0	61	0.0	-62.82	434.77	11.60	-51.22
CC1CC[NH+](C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811495	0	61	0.0	-70.28	449.60	10.63	-59.65
CC1CC[NH+](C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811496	0	61	0.0	-70.23	449.58	10.63	-59.60
CC1CC[NH+](C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C2=CC=CC=C2)CC1	REAL300013811497	0	59	0.0	-54.39	435.32	9.03	-45.36
CC1CC[NH+](C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C2)CC1	REAL300013811498	0	56	0.0	-67.90	426.06	10.12	-57.78
CC1CC[NH+](C(CNC(=O)NCC2(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300013811499	0	55	0.0	-58.15	414.99	9.66	-48.49
CC1CC[NH+](C(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C2=CC=CC=C2)CC1	REAL300013811500	0	62	0.0	-59.01	450.84	12.98	-46.03
CC1CC[NH+](C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811501	0	59	0.0	-75.83	432.30	10.59	-65.24
CC1CC[NH+](C(CNC(=O)N2CC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811502	0	52	0.0	-63.04	395.43	9.68	-53.36
CC1CC[NH+](C(CNC(=O)N2CCC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013811503	0	55	0.0	-70.90	410.84	10.42	-60.48
CC1CC[NH+](C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C2)CC1	REAL300013811504	0	56	0.0	-75.29	425.01	11.02	-64.27
CC(CCC(=O)[O-])NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300013811505	0	57	0.0	-64.47	427.93	10.71	-53.76
CC(CC1=CSC=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013811526	1	45	0.0	-41.18	363.74	6.97	-34.21
COCCOC1=CC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013811594	1	53	0.0	-38.93	417.06	5.80	-33.13
CC(COC1=CC=C(C(C)(C)C)C=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013811668	1	61	0.0	-35.29	457.77	9.07	-26.22
CC1CCCC(CNC(=O)N2CCC(C(=O)[O-])CC2)([NH+](C)C)C1	REAL300013811703	0	54	0.0	-69.89	367.59	9.86	-60.03
CC1CCCC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)([NH+](C)C)C1	REAL300013811704	0	54	0.0	-75.74	389.80	8.93	-66.81
CC1CCCC(CNC(=O)N2CCOC(C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811705	0	52	0.0	-79.14	362.31	6.97	-72.17
CC1CCCC(CNC(=O)NC2CCC(C(=O)[O-])CC2)([NH+](C)C)C1	REAL300013811706	0	57	0.0	-66.65	390.24	8.27	-58.38
CC1CCCC(CNC(=O)NCCCCC(=O)[O-])([NH+](C)C)C1	REAL300013811707	0	53	0.0	-75.51	377.10	6.86	-68.65
CC1CCCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)([NH+](C)C)C1	REAL300013811708	0	54	0.0	-77.28	389.80	8.91	-68.37
CC1CCCC(CNC(=O)NCCCCCC(=O)[O-])([NH+](C)C)C1	REAL300013811709	0	56	0.0	-73.84	398.60	7.64	-66.20
CC1CCCC(CNC(=O)NCC(C)(C)C(=O)[O-])([NH+](C)C)C1	REAL300013811710	0	53	0.0	-75.59	368.96	6.75	-68.84
CC1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811711	0	54	0.0	-75.63	372.88	8.96	-66.67
CC1CCCC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811712	0	57	0.0	-52.97	391.00	9.09	-43.88
CC1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)([NH+](C)C)C1	REAL300013811713	0	57	0.0	-70.95	379.56	10.02	-60.93
CC1CCCC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811714	0	57	0.0	-51.99	379.79	8.73	-43.26
CC1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)([NH+](C)C)C1	REAL300013811715	0	58	0.0	-61.60	393.12	6.78	-54.82
CC1CCCC(CNC(=O)NCCC(C)(C)C(=O)[O-])([NH+](C)C)C1	REAL300013811716	0	56	0.0	-69.57	388.89	6.97	-62.60
CCC(CC)(CNC(=O)NCC1([NH+](C)C)CCCC(C)C1)C(=O)[O-]	REAL300013811717	0	59	0.0	-61.16	399.05	8.12	-53.04
CC(C)C(CNC(=O)NCC1([NH+](C)C)CCCC(C)C1)C(=O)[O-]	REAL300013811718	0	56	0.0	-59.69	391.39	7.24	-52.45
CC(NC(=O)NCC1([NH+](C)C)CCCC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013811719	0	63	0.0	-75.76	431.95	9.14	-66.62
CC1CCCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)([NH+](C)C)C1	REAL300013811720	0	60	0.0	-60.63	421.29	10.67	-49.96
CC1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811721	0	54	0.0	-65.71	373.99	8.55	-57.16
CC1CCCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)([NH+](C)C)C1	REAL300013811722	0	60	0.0	-73.37	406.92	11.25	-62.12
CC1CCCC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811723	0	56	0.0	-65.44	384.59	7.92	-57.52
CC1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)([NH+](C)C)C1	REAL300013811724	0	57	0.0	-62.24	394.06	8.13	-54.11
CC1CCCC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)([NH+](C)C)C1	REAL300013811725	0	57	0.0	-75.73	385.62	9.94	-65.79
CC1CCCC(CNC(=O)NCC2(C(=O)[O-])CCC2)([NH+](C)C)C1	REAL300013811726	0	54	0.0	-60.69	373.43	8.02	-52.67
CC1CCCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)([NH+](C)C)C1	REAL300013811727	0	57	0.0	-72.23	401.58	8.14	-64.09
CC1CCCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)([NH+](C)C)C1	REAL300013811728	0	57	0.0	-70.95	379.56	10.02	-60.93
CC(C)C[C@H](CNC(=O)NCC1([NH+](C)C)CCCC(C)C1)CC(=O)[O-]	REAL300013811729	0	62	0.0	-67.14	421.87	8.46	-58.68
CC1CCCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])([NH+](C)C)C1	REAL300013811730	0	54	0.0	-69.44	386.97	8.30	-61.14
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+](C)C)CCCC(C)C2)C1	REAL300013811731	0	58	0.0	-77.34	404.96	7.76	-69.58
CC1CCCC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811732	0	51	0.0	-69.38	360.76	6.64	-62.74
CC1CCCC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)([NH+](C)C)C1	REAL300013811733	0	59	0.0	-72.92	408.85	5.69	-67.23
CC1CCCC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811734	0	54	0.0	-79.41	370.15	8.53	-70.88
CC1CCCC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811735	0	54	0.0	-57.49	370.64	8.54	-48.95
CC1CCCC(CNC(=O)NC2CC(C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811736	0	51	0.0	-70.25	357.50	7.38	-62.87
CC1CCCC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811737	0	51	0.0	-69.28	360.70	7.02	-62.26
CC1CCCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)([NH+](C)C)C1	REAL300013811738	0	54	0.0	-77.28	389.80	8.91	-68.37
CCC(CNC(=O)NCC1([NH+](C)C)CCCC(C)C1)C(=O)[O-]	REAL300013811739	0	53	0.0	-56.79	369.59	6.85	-49.94
CC1CCCC(CNC(=O)N2CCCCC2CCC(=O)[O-])([NH+](C)C)C1	REAL300013811740	0	60	0.0	-83.03	403.73	9.92	-73.11
CC1CCCC(CNC(=O)NCCCCCCCC(=O)[O-])([NH+](C)C)C1	REAL300013811741	0	62	0.0	-76.33	441.60	9.20	-67.13
CC1CCCC(CNC(=O)NCCCCCCC(=O)[O-])([NH+](C)C)C1	REAL300013811742	0	59	0.0	-77.57	420.10	8.42	-69.15
CC1CCCC(CNC(=O)N(C)CCCC(=O)[O-])([NH+](C)C)C1	REAL300013811743	0	53	0.0	-72.10	368.83	9.16	-62.94
CC1CCCC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811744	0	57	0.0	-80.59	384.85	9.28	-71.31
COCC1(C(=O)[O-])CCCN(C(=O)NCC2([NH+](C)C)CCCC(C)C2)C1	REAL300013811745	0	61	0.0	-82.96	416.33	9.04	-73.92
COCCN(CCC(=O)[O-])C(=O)NCC1([NH+](C)C)CCCC(C)C1	REAL300013811746	0	57	0.0	-54.61	400.51	8.54	-46.07
CC1CCCC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)([NH+](C)C)C1	REAL300013811747	0	60	0.0	-79.66	410.34	9.95	-69.71
CC1CCCC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811748	0	58	0.0	-84.37	402.66	11.29	-73.08
CC1CCCC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)([NH+](C)C)C1	REAL300013811749	0	55	0.0	-68.39	379.18	8.52	-59.87
CC1CCCC(CNC(=O)N2CC(C(=O)[O-])CCC2C)([NH+](C)C)C1	REAL300013811750	0	57	0.0	-57.20	386.58	9.13	-48.07
CC1CCCC(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811751	0	61	0.0	-58.30	429.56	12.31	-45.99
CC1CCCC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811752	0	55	0.0	-75.58	379.60	6.08	-69.50
CC1CCCC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)([NH+](C)C)C1	REAL300013811753	0	58	0.0	-73.11	412.45	10.25	-62.86
CC1CCCC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)([NH+](C)C)C1	REAL300013811754	0	61	0.0	-92.84	421.55	8.39	-84.45
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+](C)C)CCCC(C)C2)CC1	REAL300013811755	0	61	0.0	-74.11	410.51	9.97	-64.14
CC1CCCC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)([NH+](C)C)C1	REAL300013811756	0	52	0.0	-74.16	367.75	8.12	-66.04
CC1CCCC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)([NH+](C)C)C1	REAL300013811757	0	63	0.0	-64.64	413.27	9.68	-54.96
CC1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)([NH+](C)C)C1	REAL300013811758	0	57	0.0	-62.00	390.28	8.26	-53.74
CC1CCCC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)([NH+](C)C)C1	REAL300013811759	0	60	0.0	-75.90	415.73	8.56	-67.34
CC1CCCC(CNC(=O)N2CCC(CC(=O)[O-])CC2)([NH+](C)C)C1	REAL300013811760	0	57	0.0	-72.24	384.61	10.47	-61.77
CC1CCCC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)([NH+](C)C)C1	REAL300013811761	0	58	0.0	-74.08	401.21	9.89	-64.19
CC1CCCC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811762	0	57	0.0	-68.52	393.01	9.08	-59.44
CC1CCCC(CNC(=O)NC2CCCC(C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811763	0	57	0.0	-65.98	388.02	9.02	-56.96
CC1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)([NH+](C)C)C1	REAL300013811764	0	58	0.0	-60.20	397.94	6.45	-53.75
CC1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOC2)([NH+](C)C)C1	REAL300013811765	0	55	0.0	-57.41	382.75	5.41	-52.00
CC1CCCC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)([NH+](C)C)C1	REAL300013811766	0	52	0.0	-70.71	368.67	8.11	-62.60
CC1CCCC(CNC(=O)NCC2(C(=O)[O-])CC2)([NH+](C)C)C1	REAL300013811767	0	51	0.0	-58.61	357.69	7.75	-50.86
CC1CCCC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)([NH+](C)C)C1	REAL300013811768	0	58	0.0	-60.61	397.90	9.34	-51.27
CC1CCCC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)([NH+](C)C)C1	REAL300013811769	0	54	0.0	-63.48	385.95	9.24	-54.24
CC1CCCC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811770	0	55	0.0	-80.49	377.82	7.77	-72.72
COC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+](C)C)CCCC(C)C2)C1	REAL300013811771	0	58	0.0	-59.23	401.73	7.65	-51.58
CC1CCCC(CNC(=O)N2CCC(C(=O)[O-])C2)([NH+](C)C)C1	REAL300013811772	0	51	0.0	-73.31	356.84	7.63	-65.68
CC1CCCC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)([NH+](C)C)C1	REAL300013811773	0	52	0.0	-73.10	371.96	7.71	-65.39
CC(CCC(=O)[O-])NC(=O)NCC1([NH+](C)C)CCCC(C)C1	REAL300013811774	0	53	0.0	-67.59	375.36	7.10	-60.49
C[N@@H+]1CCCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C1	REAL300013811775	0	52	0.0	-80.94	386.63	10.48	-70.46
C[N@H+]1CCCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C1	REAL300013811775	1	52	0.0	-74.69	385.18	9.56	-65.13
CC(NC(=O)NC1CCC[N@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013811776	0	51	0.0	-80.11	367.73	7.07	-73.04
CC(NC(=O)NC1CCC[N@@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013811776	1	51	0.0	-79.75	375.61	7.05	-72.70
C[N@@H+]1CCCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013811777	0	48	0.0	-68.09	367.85	7.32	-60.77
C[N@H+]1CCCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013811777	1	48	0.0	-66.08	363.83	7.85	-58.23
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC3CCC[N@H+](C)C3)C2)C=N1	REAL300013811778	0	52	0.0	-76.63	391.36	7.88	-68.75
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC3CCC[N@@H+](C)C3)C2)C=N1	REAL300013811778	1	52	0.0	-61.76	392.29	8.27	-53.49
COCC1(C(=O)[O-])CCCN(C(=O)NC2CCC[N@H+](C)C2)C1	REAL300013811779	0	49	0.0	-87.16	355.43	7.50	-79.66
COCC1(C(=O)[O-])CCCN(C(=O)NC2CCC[N@@H+](C)C2)C1	REAL300013811779	1	49	0.0	-83.72	359.47	6.98	-76.74
C[N@@H+]1CCCC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C1	REAL300013811780	0	51	0.0	-83.73	381.19	8.81	-74.92
C[N@H+]1CCCC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C1	REAL300013811780	1	51	0.0	-81.49	386.17	8.05	-73.44
C[N@@H+]1CCCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013811781	0	46	0.0	-77.95	346.03	9.23	-68.72
C[N@H+]1CCCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013811781	1	46	0.0	-82.38	342.01	9.73	-72.65
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2CCC[N@@H+](C)C2)CCO1	REAL300013811782	0	53	0.0	-71.02	396.84	6.73	-64.29
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC2CCC[N@H+](C)C2)CCO1	REAL300013811782	1	53	0.0	-85.37	391.00	6.66	-78.71
C[N@@H+]1CCCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013811783	0	49	0.0	-67.14	374.41	9.01	-58.13
C[N@H+]1CCCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013811783	1	49	0.0	-65.86	372.12	9.59	-56.27
C[N@@H+]1CCCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013811784	0	46	0.0	-73.38	351.29	7.69	-65.69
C[N@H+]1CCCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013811784	1	46	0.0	-74.31	356.30	7.21	-67.10
C[N@@H+]1CCCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013811785	0	49	0.0	-81.66	363.82	5.89	-75.77
C[N@H+]1CCCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013811785	1	49	0.0	-89.90	360.29	6.15	-83.75
COCC1(C(=O)[O-])CCN(C(=O)NC2CCC[N@H+](C)C2)CC1	REAL300013811786	0	49	0.0	-79.08	358.36	5.89	-73.19
COCC1(C(=O)[O-])CCN(C(=O)NC2CCC[N@@H+](C)C2)CC1	REAL300013811786	1	49	0.0	-76.74	358.09	6.55	-70.19
C[N@@H+]1CCCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013811787	0	51	0.0	-73.45	360.23	6.76	-66.69
C[N@H+]1CCCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013811787	1	51	0.0	-69.29	360.09	6.77	-62.52
C[N@@H+]1CCCC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C1	REAL300013811788	0	54	0.0	-77.36	411.37	8.47	-68.89
C[N@H+]1CCCC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C1	REAL300013811788	1	54	0.0	-77.24	411.41	8.47	-68.77
C[N@@H+]1CCCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013811789	0	42	0.0	-70.47	334.53	6.31	-64.16
C[N@H+]1CCCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013811789	1	42	0.0	-69.73	330.57	6.84	-62.89
C[N@@H+]1CCCC(NC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C1	REAL300013811790	0	51	0.0	-86.11	392.06	5.03	-81.08
C[N@H+]1CCCC(NC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C1	REAL300013811790	1	51	0.0	-81.70	392.16	5.01	-76.69
COC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013811873	1	49	0.0	-42.06	386.20	6.15	-35.91
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(N3CCOC3=O)=C2)CC1	REAL300013811969	1	51	0.0	-46.10	401.84	6.33	-39.77
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CC3=CC=CC=C32)CC1	REAL300013812029	1	46	0.0	-37.86	360.38	7.57	-30.29
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)CN1C=CC=N1	REAL300013812085	1	48	0.0	-42.22	370.16	5.90	-36.32
CNS(=O)(=O)C1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013812152	1	53	0.0	-47.45	427.23	3.29	-44.16
CCOC1=CC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013812215	1	49	0.0	-36.75	383.43	6.53	-30.22
CC1=NC=CN1C1=NC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013812288	1	51	0.0	-41.42	401.79	7.74	-33.68
CC(CC1=CC=CC=C1F)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013812357	1	48	0.0	-39.29	373.51	8.30	-30.99
CN(CCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013812429	1	56	0.0	-38.47	427.43	8.47	-30.00
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300013812503	1	47	0.0	-47.86	382.47	7.68	-40.18
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=CC=C2C(F)(F)F)CC1	REAL300013812625	1	48	0.0	-38.08	382.04	7.69	-30.39
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(C3=CC=C(F)C=C3)CC2)CC1	REAL300013812699	1	54	0.0	-37.69	410.28	6.94	-30.75
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(N3CCOCC3)CCSC2)CC1	REAL300013812771	1	56	0.0	-42.34	408.50	3.79	-38.55
O=C([O-])C1CCN(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CC1	REAL300013812807	1	46	0.0	-77.22	359.94	8.32	-68.90
O=C([O-])C1CCN(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CC1	REAL300013812807	1	46	0.0	-77.20	359.91	8.32	-68.88
O=C([O-])C1=CC=C(CNC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C=C1	REAL300013812808	1	46	0.0	-81.56	384.01	7.97	-73.59
O=C([O-])C1=CC=C(CNC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C=C1	REAL300013812808	1	46	0.0	-81.60	384.03	7.96	-73.64
O=C([O-])C1CN(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CCO1	REAL300013812809	1	44	0.0	-82.95	353.11	6.79	-76.16
O=C([O-])C1CN(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CCO1	REAL300013812809	1	44	0.0	-83.12	353.10	6.79	-76.33
O=C([O-])C1CCC(NC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CC1	REAL300013812810	1	49	0.0	-82.83	386.64	7.66	-75.17
O=C([O-])C1CCC(NC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CC1	REAL300013812810	1	49	0.0	-82.26	385.34	7.63	-74.63
O=C([O-])CCCCNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300013812811	1	45	0.0	-80.23	367.76	6.64	-73.59
O=C([O-])CCCCNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300013812811	1	45	0.0	-80.14	367.76	6.64	-73.50
O=C([O-])C1=CC(CNC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)=CC=C1	REAL300013812812	1	46	0.0	-80.59	384.01	7.95	-72.64
O=C([O-])C1=CC(CNC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)=CC=C1	REAL300013812812	1	46	0.0	-80.48	384.04	7.95	-72.53
O=C([O-])CCCCCNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300013812813	1	48	0.0	-79.10	389.26	7.42	-71.68
O=C([O-])CCCCCNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300013812813	1	48	0.0	-79.08	389.26	7.42	-71.66
CC(C)(CNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013812814	1	45	0.0	-79.99	360.19	6.52	-73.47
CC(C)(CNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013812814	1	45	0.0	-79.97	360.20	6.52	-73.45
CC1(C(=O)[O-])CCN(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300013812815	1	46	0.0	-79.51	367.13	7.92	-71.59
CC1(C(=O)[O-])CCN(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300013812815	1	46	0.0	-79.47	367.13	7.91	-71.56
CC1CC(C(=O)[O-])CN(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300013812816	1	49	0.0	-62.67	381.76	8.92	-53.75
CC1CC(C(=O)[O-])CN(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300013812816	1	49	0.0	-82.91	381.61	8.92	-73.99
CC1(C(=O)[O-])CCN(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CC1	REAL300013812817	1	49	0.0	-77.26	373.39	8.59	-68.67
CC1(C(=O)[O-])CCN(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CC1	REAL300013812817	1	49	0.0	-79.37	373.59	8.64	-70.73
O=C([O-])CCCNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300013812818	1	42	0.0	-74.48	346.27	5.86	-68.62
O=C([O-])CCCNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300013812818	1	42	0.0	-74.51	346.26	5.86	-68.65
CC1CCN(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CC1C(=O)[O-]	REAL300013812819	1	49	0.0	-83.81	371.25	8.56	-75.25
CC1CCN(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CC1C(=O)[O-]	REAL300013812819	1	49	0.0	-61.13	370.52	8.56	-52.57
O=C([O-])C1(CNC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CCOCC1	REAL300013812820	1	50	0.0	-66.00	384.73	6.05	-59.95
O=C([O-])C1(CNC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CCOCC1	REAL300013812820	1	50	0.0	-67.14	386.35	6.02	-61.12
CC(C)(CCNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013812821	1	48	0.0	-75.64	378.95	6.74	-68.90
CC(C)(CCNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013812821	1	48	0.0	-75.57	379.55	6.74	-68.83
CCC(CC)(CNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013812822	1	51	0.0	-65.18	389.19	7.88	-57.30
CCC(CC)(CNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013812822	1	51	0.0	-64.67	387.15	7.70	-56.97
CC(CNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013812823	1	42	0.0	-77.97	343.29	5.82	-72.15
CC(CNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013812823	1	42	0.0	-78.00	343.32	5.82	-72.18
CC(C)C(CNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013812824	1	48	0.0	-68.29	382.03	7.01	-61.28
CC(C)C(CNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013812824	1	48	0.0	-68.28	382.05	7.02	-61.26
CC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013812825	1	55	0.0	-82.52	422.66	8.60	-73.92
CC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013812825	1	55	0.0	-82.46	422.69	8.60	-73.86
CC(CNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013812826	1	52	0.0	-68.41	415.12	9.18	-59.23
CC(CNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013812826	1	52	0.0	-66.46	411.22	9.38	-57.08
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300013812827	1	46	0.0	-75.64	367.65	7.05	-68.59
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O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC[N@H+]1CCC3=C(C=CS3)C1)C2	REAL300013812829	1	48	0.0	-77.06	377.57	6.61	-70.45
O=C([O-])C1(CNC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CCCC1	REAL300013812830	1	49	0.0	-66.86	384.78	7.90	-58.96
O=C([O-])C1(CNC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CCCC1	REAL300013812830	1	49	0.0	-66.86	384.78	7.90	-58.96
CC1CN(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CCC1C(=O)[O-]	REAL300013812831	1	49	0.0	-76.44	375.14	9.14	-67.30
CC1CN(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CCC1C(=O)[O-]	REAL300013812831	1	49	0.0	-76.03	373.34	9.07	-66.96
O=C([O-])C1(CNC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CCC1	REAL300013812832	1	46	0.0	-64.46	366.47	7.22	-57.24
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O=C([O-])CC(CNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C1CC1	REAL300013812833	1	49	0.0	-77.64	392.27	7.93	-69.71
CC1(C(=O)[O-])CCN(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CC1	REAL300013812834	1	49	0.0	-77.26	373.39	8.59	-68.67
CC1(C(=O)[O-])CCN(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CC1	REAL300013812834	1	49	0.0	-79.37	373.59	8.64	-70.73
CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)CC(=O)[O-]	REAL300013812835	1	54	0.0	-73.77	412.78	8.24	-65.53
CC(C)C[C@H](CNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)CC(=O)[O-]	REAL300013812835	1	54	0.0	-73.83	412.77	8.25	-65.58
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COCC1(C(=O)[O-])CCN(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300013812837	1	50	0.0	-79.68	397.99	7.04	-72.64
COCC1(C(=O)[O-])CCN(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300013812837	1	50	0.0	-79.83	395.61	7.71	-72.12
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CCC(CNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013812845	1	45	0.0	-65.33	359.91	6.73	-58.60
CCC(CNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013812845	1	45	0.0	-67.88	365.27	6.52	-61.36
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CN(CCCC(=O)[O-])C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300013812849	1	45	0.0	-78.81	363.89	8.25	-70.56
CN(CCCC(=O)[O-])C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300013812849	1	45	0.0	-78.89	363.89	8.26	-70.63
CC1(C(=O)[O-])CCCN(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300013812850	1	49	0.0	-83.81	375.74	9.05	-74.76
CC1(C(=O)[O-])CCCN(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300013812850	1	49	0.0	-84.08	375.75	9.06	-75.02
COCC1(C(=O)[O-])CCCN(C(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300013812851	1	53	0.0	-88.08	407.79	8.24	-79.84
COCC1(C(=O)[O-])CCCN(C(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300013812851	1	53	0.0	-87.41	406.81	8.85	-78.56
COCCN(CCC(=O)[O-])C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300013812852	1	49	0.0	-60.27	395.58	7.61	-52.66
COCCN(CCC(=O)[O-])C(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300013812852	1	49	0.0	-60.12	395.59	7.61	-52.51
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CC1CCC(C(=O)[O-])CN1C(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300013812856	1	49	0.0	-62.69	376.66	8.91	-53.78
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CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013812976	0	55	0.0	-74.06	402.63	10.39	-63.67
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CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013812978	0	52	0.0	-67.11	406.73	9.85	-57.26
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CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013812981	1	57	0.0	-75.32	427.93	7.12	-68.20
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013812982	0	52	0.0	-58.61	389.48	10.06	-48.55
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013812982	1	52	0.0	-60.98	389.11	9.96	-51.02
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013812983	0	52	0.0	-78.13	389.26	9.98	-68.15
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013812983	1	52	0.0	-78.50	391.00	10.08	-68.42
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013812984	0	49	0.0	-73.36	380.61	8.22	-65.14
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013812984	1	49	0.0	-70.77	379.93	8.03	-62.74
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013812985	0	49	0.0	-72.68	381.35	8.20	-64.48
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013812985	1	49	0.0	-73.42	380.44	8.22	-65.20
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013812986	0	52	0.0	-75.97	413.15	9.70	-66.27
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013812986	1	52	0.0	-75.57	413.03	9.71	-65.86
CCC(CNC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300013812987	0	51	0.0	-63.34	394.41	8.31	-55.03
CCC(CNC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300013812987	1	51	0.0	-64.27	393.50	8.16	-56.11
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013812988	0	58	0.0	-79.77	422.94	11.48	-68.29
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013812988	1	58	0.0	-78.55	423.59	11.35	-67.20
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013812989	0	60	0.0	-76.87	461.40	10.77	-66.10
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013812989	1	60	0.0	-76.13	460.50	10.61	-65.52
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCCCCCCC(=O)[O-])C1	REAL300013812990	0	57	0.0	-77.60	439.91	9.99	-67.61
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCCCCCCC(=O)[O-])C1	REAL300013812990	1	57	0.0	-76.68	439.00	9.83	-66.85
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N(C)CCCC(=O)[O-])C1	REAL300013812991	0	51	0.0	-75.58	392.89	10.00	-65.58
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N(C)CCCC(=O)[O-])C1	REAL300013812991	1	51	0.0	-73.58	391.80	9.87	-63.71
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013812992	0	55	0.0	-79.66	405.64	10.84	-68.82
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013812992	1	55	0.0	-77.94	404.32	10.72	-67.22
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C1	REAL300013812993	0	59	0.0	-84.31	436.74	10.00	-74.31
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C1	REAL300013812993	1	59	0.0	-83.61	436.88	9.98	-73.63
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300013812994	0	55	0.0	-57.10	425.31	9.34	-47.76
COCCN(CCC(=O)[O-])C(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300013812994	1	55	0.0	-56.77	424.82	9.12	-47.65
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013812995	0	58	0.0	-78.65	428.80	11.42	-67.23
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013812995	1	58	0.0	-78.45	430.35	11.51	-66.94
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013812996	0	56	0.0	-82.22	423.27	12.09	-70.13
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013812996	1	56	0.0	-78.83	422.53	12.84	-65.99
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013812997	0	53	0.0	-72.21	402.05	8.75	-63.46
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013812997	1	53	0.0	-69.03	401.44	8.71	-60.32
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013812998	0	55	0.0	-58.43	405.55	10.68	-47.75
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013812998	1	55	0.0	-59.57	406.45	10.57	-49.00
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013812999	0	53	0.0	-76.53	399.42	7.64	-68.89
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013812999	1	53	0.0	-75.92	399.41	7.63	-68.29
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013813000	0	56	0.0	-73.50	432.21	10.72	-62.78
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013813000	1	56	0.0	-72.53	430.70	10.73	-61.80
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)CC1	REAL300013813001	0	59	0.0	-77.98	433.56	10.25	-67.73
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)CC1	REAL300013813001	1	59	0.0	-76.00	433.94	9.36	-66.64
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013813002	0	50	0.0	-78.62	390.54	8.42	-70.20
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013813002	1	50	0.0	-77.98	390.71	8.42	-69.56
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013813003	0	61	0.0	-67.81	436.62	10.36	-57.45
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013813003	1	61	0.0	-67.76	435.84	10.24	-57.52
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013813004	0	55	0.0	-68.42	410.12	9.80	-58.62
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013813004	1	55	0.0	-66.79	409.85	9.65	-57.14
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013813005	0	58	0.0	-76.03	432.92	9.99	-66.04
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013813005	1	58	0.0	-77.26	435.29	10.13	-67.13
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013813006	0	55	0.0	-76.22	407.47	10.74	-65.48
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013813006	1	55	0.0	-75.01	406.51	10.62	-64.39
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013813007	0	56	0.0	-78.16	424.07	10.16	-68.00
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013813007	1	56	0.0	-75.39	423.27	10.02	-65.37
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013813008	0	55	0.0	-72.36	415.59	9.40	-62.96
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013813008	1	55	0.0	-71.86	415.77	9.40	-62.46
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013813009	0	55	0.0	-69.46	411.13	9.83	-59.63
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013813009	1	55	0.0	-72.74	415.14	9.39	-63.35
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013813010	0	56	0.0	-66.52	420.44	8.25	-58.27
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013813010	1	56	0.0	-61.28	417.84	7.98	-53.30
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013813011	0	53	0.0	-61.87	402.55	6.98	-54.89
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013813011	1	53	0.0	-62.87	401.58	6.81	-56.06
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013813012	0	50	0.0	-71.42	392.25	8.94	-62.48
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013813012	1	50	0.0	-71.15	392.31	8.89	-62.26
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013813013	0	49	0.0	-58.51	380.52	8.44	-50.07
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013813013	1	49	0.0	-60.89	380.15	8.41	-52.48
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013813014	0	56	0.0	-62.79	414.13	10.68	-52.11
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013813014	1	56	0.0	-65.54	417.77	10.89	-54.65
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013813015	0	52	0.0	-67.54	408.84	9.82	-57.72
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013813015	1	52	0.0	-65.00	409.30	9.88	-55.12
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013813016	0	53	0.0	-79.87	397.97	9.36	-70.51
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013813016	1	53	0.0	-79.62	397.94	9.34	-70.28
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CC(C(=O)[O-])C2)C1	REAL300013813017	0	46	0.0	-66.34	361.76	8.39	-57.95
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CC(C(=O)[O-])C2)C1	REAL300013813017	1	46	0.0	-66.61	360.15	8.34	-58.27
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C1	REAL300013813018	0	56	0.0	-60.12	420.47	9.18	-50.94
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C1	REAL300013813018	1	56	0.0	-61.33	420.08	9.08	-52.25
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013813019	0	49	0.0	-74.11	376.37	9.18	-64.93
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013813019	1	49	0.0	-73.70	376.27	9.17	-64.53
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013813020	0	50	0.0	-77.63	391.31	8.90	-68.73
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013813020	1	50	0.0	-78.39	391.12	8.92	-69.47
CC(CCC(=O)[O-])NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300013813021	0	51	0.0	-68.14	395.16	8.65	-59.49
CC(CCC(=O)[O-])NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300013813021	1	51	0.0	-68.31	394.19	8.49	-59.82
O=C([O-])C[NH+]1CCC(NC(=O)NCCN2C(=O)C3=CC=CC=C3C2=O)CC1	REAL300013813106	1	49	0.0	-43.15	399.49	5.88	-37.27
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013813147	0	57	0.0	-64.45	397.38	9.36	-55.09
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013813148	0	57	0.0	-71.42	421.46	9.02	-62.40
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013813149	0	55	0.0	-72.23	383.65	7.86	-64.37
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013813150	0	60	0.0	-60.04	411.47	9.09	-50.95
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCCCCC(=O)[O-])C1	REAL300013813151	0	56	0.0	-69.75	398.33	7.71	-62.04
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013813152	0	57	0.0	-68.70	414.59	9.02	-59.68
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013813153	0	59	0.0	-68.49	419.82	8.49	-60.00
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013813154	0	56	0.0	-69.23	390.18	7.60	-61.63
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013813155	0	57	0.0	-68.32	397.67	8.97	-59.35
CC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C1	REAL300013813156	0	60	0.0	-51.64	411.76	9.93	-41.71
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013813157	0	60	0.0	-67.87	411.04	9.70	-58.17
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCCCC(=O)[O-])C1	REAL300013813158	0	53	0.0	-63.48	376.83	6.93	-56.55
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013813159	0	60	0.0	-50.17	406.77	9.84	-40.33
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013813160	0	61	0.0	-57.30	417.05	7.08	-50.22
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013813161	0	59	0.0	-64.51	410.11	7.81	-56.70
CCC(CC)(CNC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013813162	0	62	0.0	-54.01	420.59	8.95	-45.06
CC(CNC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013813163	0	53	0.0	-67.68	374.69	6.92	-60.76
CC(C)C(CNC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013813164	0	59	0.0	-55.52	407.36	8.18	-47.34
CC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013813165	0	66	0.0	-72.86	456.08	9.47	-63.39
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013813166	0	63	0.0	-56.22	441.79	10.45	-45.77
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013813167	0	57	0.0	-60.82	398.26	8.18	-52.64
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013813168	0	63	0.0	-69.63	438.23	10.85	-58.78
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013813169	0	59	0.0	-69.39	408.50	7.55	-61.84
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013813170	0	60	0.0	-54.60	415.29	8.97	-45.63
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013813171	0	60	0.0	-65.65	403.96	10.12	-55.53
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013813172	0	57	0.0	-52.80	397.31	8.27	-44.53
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013813173	0	60	0.0	-68.14	422.14	8.91	-59.23
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013813174	0	60	0.0	-67.87	411.04	9.70	-58.17
CC(C)C[C@H](CNC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)CC(=O)[O-]	REAL300013813175	0	65	0.0	-61.15	448.37	9.52	-51.63
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013813176	0	57	0.0	-59.50	408.19	9.13	-50.37
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C1	REAL300013813177	0	61	0.0	-70.02	428.54	8.09	-61.93
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013813178	0	54	0.0	-64.31	381.92	7.48	-56.83
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013813179	0	62	0.0	-67.69	430.49	6.57	-61.12
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013813180	0	57	0.0	-72.46	391.73	9.38	-63.08
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013813181	0	57	0.0	-53.09	398.73	9.41	-43.68
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013813182	0	54	0.0	-64.68	382.43	7.49	-57.19
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013813183	0	54	0.0	-67.60	388.36	7.55	-60.05
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013813184	0	57	0.0	-68.70	414.59	9.02	-59.68
CCC(CNC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013813185	0	56	0.0	-54.19	389.89	7.79	-46.40
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013813186	0	63	0.0	-75.44	431.74	10.79	-64.65
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013813187	0	65	0.0	-70.83	462.82	10.04	-60.79
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013813188	0	62	0.0	-71.80	441.32	9.27	-62.53
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N(C)CCCC(=O)[O-])C1	REAL300013813189	0	56	0.0	-69.47	394.45	9.30	-60.17
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013813190	0	60	0.0	-74.88	413.04	10.17	-64.71
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C1	REAL300013813191	0	64	0.0	-79.77	445.48	9.30	-70.47
COCCN(CCC(=O)[O-])C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300013813192	0	60	0.0	-49.77	424.10	8.62	-41.15
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013813193	0	63	0.0	-72.96	431.74	10.86	-62.10
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013813194	0	61	0.0	-74.51	430.83	12.15	-62.36
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013813195	0	58	0.0	-66.84	410.31	8.08	-58.76
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013813196	0	60	0.0	-49.56	412.21	9.95	-39.61
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013813197	0	58	0.0	-69.76	401.00	6.98	-62.78
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013813198	0	61	0.0	-68.14	437.41	10.26	-57.88
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013813199	0	64	0.0	-80.20	443.06	9.25	-70.95
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)CC1	REAL300013813200	0	64	0.0	-68.82	441.42	9.58	-59.24
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013813201	0	55	0.0	-71.95	392.04	7.71	-64.24
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013813202	0	66	0.0	-64.32	437.86	9.73	-54.59
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013813203	0	60	0.0	-61.36	412.94	9.15	-52.21
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013813204	0	63	0.0	-70.67	442.52	9.39	-61.28
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013813205	0	60	0.0	-70.25	415.92	10.07	-60.18
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013813206	0	61	0.0	-69.10	432.45	9.45	-59.65
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013813207	0	60	0.0	-65.21	423.57	8.69	-56.52
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013813208	0	60	0.0	-66.05	416.83	8.71	-57.34
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013813209	0	61	0.0	-59.99	428.77	7.57	-52.42
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013813210	0	58	0.0	-56.08	403.97	6.26	-49.82
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013813211	0	55	0.0	-63.83	400.32	8.20	-55.63
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013813212	0	54	0.0	-53.03	382.61	7.86	-45.17
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013813213	0	61	0.0	-58.72	420.41	10.22	-48.50
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013813214	0	57	0.0	-59.75	411.32	9.24	-50.51
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013813215	0	58	0.0	-55.15	399.22	8.66	-46.49
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])C2)C1	REAL300013813216	0	51	0.0	-59.55	369.94	7.68	-51.87
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)C1	REAL300013813217	0	61	0.0	-75.96	427.57	8.46	-67.50
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013813218	0	54	0.0	-67.92	377.95	8.50	-59.42
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013813219	0	55	0.0	-72.04	399.93	8.21	-63.83
CC(CCC(=O)[O-])NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1	REAL300013813220	0	56	0.0	-61.10	396.58	7.93	-53.17
CC(C)OC1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013813253	1	55	0.0	-40.62	419.64	7.93	-32.69
COC1=CC=C(OC)C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013813328	1	53	0.0	-43.78	412.44	5.68	-38.10
C[N@H+](CCNC(=O)N1CCC(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013813371	0	48	0.0	-75.81	366.17	8.78	-67.03
C[N@@H+](CCNC(=O)N1CCC(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013813371	1	48	0.0	-75.97	366.23	8.79	-67.18
C[N@H+](CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300013813372	0	48	0.0	-80.29	390.27	8.43	-71.86
C[N@@H+](CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300013813372	1	48	0.0	-80.24	390.32	8.44	-71.80
C[N@H+](CCNC(=O)N1CCOC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013813373	0	46	0.0	-81.57	359.28	7.27	-74.30
C[N@@H+](CCNC(=O)N1CCOC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013813373	1	46	0.0	-64.69	359.37	7.27	-57.42
C[N@H+](CCNC(=O)NC1CCC(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013813374	0	51	0.0	-70.20	387.15	8.51	-61.69
C[N@@H+](CCNC(=O)NC1CCC(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013813374	1	51	0.0	-70.39	387.21	8.51	-61.88
C[N@H+](CCNC(=O)NCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013813375	0	47	0.0	-78.83	374.01	7.10	-71.73
C[N@@H+](CCNC(=O)NCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013813375	1	47	0.0	-78.86	373.97	7.10	-71.76
C[N@H+](CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300013813376	0	48	0.0	-79.15	390.28	8.41	-70.74
C[N@@H+](CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300013813376	1	48	0.0	-79.32	390.33	8.42	-70.90
C[N@H+](CCNC(=O)NCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013813377	0	50	0.0	-77.73	395.51	7.88	-69.85
C[N@@H+](CCNC(=O)NCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013813377	1	50	0.0	-77.72	395.47	7.88	-69.84
C[N@H+](CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013813378	0	58	0.0	-76.18	438.77	11.90	-64.28
C[N@@H+](CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013813378	1	58	0.0	-76.07	438.82	11.90	-64.17
C[N@H+](CCNC(=O)NCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013813379	0	47	0.0	-78.58	365.87	6.99	-71.59
C[N@@H+](CCNC(=O)NCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013813379	1	47	0.0	-78.65	366.41	6.98	-71.67
C[N@H+](CCNC(=O)N1CCC(C)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013813380	0	48	0.0	-80.03	370.51	8.44	-71.59
C[N@@H+](CCNC(=O)N1CCC(C)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013813380	1	48	0.0	-78.19	373.37	8.37	-69.82
CC1CC(C(=O)[O-])CN(C(=O)NCC[N@H+](C)CC2=CC=CC=C2)C1	REAL300013813381	0	51	0.0	-61.62	383.33	9.65	-51.97
CC1CC(C(=O)[O-])CN(C(=O)NCC[N@@H+](C)CC2=CC=CC=C2)C1	REAL300013813381	1	51	0.0	-61.38	387.36	9.36	-52.02
C[N@H+](CCNC(=O)N1CCC(C)(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013813382	0	51	0.0	-77.36	379.64	9.06	-68.30
C[N@@H+](CCNC(=O)N1CCC(C)(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013813382	1	51	0.0	-75.79	379.84	9.10	-66.69
CC1CCN(C(=O)NCC[N@H+](C)CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300013813383	0	51	0.0	-60.57	382.47	9.24	-51.33
CC1CCN(C(=O)NCC[N@@H+](C)CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300013813383	1	51	0.0	-80.77	382.42	9.24	-71.53
C[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300013813384	0	52	0.0	-64.15	393.60	6.31	-57.84
C[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300013813384	1	52	0.0	-66.26	392.60	6.47	-59.79
C[N@H+](CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013813385	0	50	0.0	-74.40	385.21	7.20	-67.20
C[N@@H+](CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013813385	1	50	0.0	-74.24	385.76	7.20	-67.04
CCC(CC)(CNC(=O)NCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013813386	0	53	0.0	-66.59	398.07	8.00	-58.59
CCC(CC)(CNC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013813386	1	53	0.0	-64.35	395.45	8.34	-56.01
CC(C)C(CNC(=O)NCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013813387	0	50	0.0	-67.31	388.26	7.48	-59.83
CC(C)C(CNC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013813387	1	50	0.0	-64.73	383.05	7.58	-57.15
CC(NC(=O)NCC[N@H+](C)CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013813388	0	57	0.0	-81.07	428.61	9.35	-71.72
CC(NC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013813388	1	57	0.0	-80.57	425.34	8.89	-71.68
C[N@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300013813389	0	54	0.0	-67.59	421.38	9.64	-57.95
C[N@@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300013813389	1	54	0.0	-67.41	421.34	9.64	-57.77
C[N@H+](CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013813390	0	48	0.0	-70.54	373.92	7.59	-62.95
C[N@@H+](CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013813390	1	48	0.0	-70.54	373.97	7.59	-62.95
C[N@H+](CCNC(=O)N1CCC(CCC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013813391	0	54	0.0	-77.64	407.02	10.26	-67.38
C[N@@H+](CCNC(=O)N1CCC(CCC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013813391	1	54	0.0	-77.70	407.08	10.26	-67.44
C[N@H+](CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013813392	0	50	0.0	-76.26	383.72	7.09	-69.17
C[N@@H+](CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013813392	1	50	0.0	-76.26	383.78	7.09	-69.17
C[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300013813393	0	51	0.0	-65.67	390.96	8.37	-57.30
C[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300013813393	1	51	0.0	-65.96	390.97	8.37	-57.59
CC1CN(C(=O)NCC[N@H+](C)CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300013813394	0	51	0.0	-75.67	379.73	9.52	-66.15
CC1CN(C(=O)NCC[N@@H+](C)CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300013813394	1	51	0.0	-74.67	379.59	9.53	-65.14
C[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCC1)CC1=CC=CC=C1	REAL300013813395	0	48	0.0	-63.96	373.89	7.54	-56.42
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O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3CCOCC3)C=C2)CC1	REAL300013813689	1	55	0.0	-40.97	416.76	5.07	-35.90
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013813756	0	54	0.0	-66.31	376.40	8.79	-57.52
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013813756	1	54	0.0	-66.39	377.69	8.86	-57.53
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013813757	0	54	0.0	-70.81	393.88	8.46	-62.35
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013813757	1	54	0.0	-71.39	400.26	8.44	-62.95
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013813758	0	52	0.0	-72.89	369.68	7.27	-65.62
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013813758	1	52	0.0	-54.83	362.61	7.27	-47.56
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013813759	0	57	0.0	-73.68	403.24	8.12	-65.56
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013813759	1	57	0.0	-72.83	396.17	8.15	-64.68
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCCCCC(=O)[O-])C1	REAL300013813760	0	53	0.0	-69.65	377.62	7.13	-62.52
CC1CCC[N@H+](C(C)(C)CNC(=O)NCCCCC(=O)[O-])C1	REAL300013813760	1	53	0.0	-70.37	384.00	7.12	-63.25
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013813761	0	54	0.0	-69.22	400.61	8.42	-60.80
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013813761	1	54	0.0	-68.94	400.27	8.43	-60.51
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013813762	0	56	0.0	-68.47	399.12	7.91	-60.56
CC1CCC[N@H+](C(C)(C)CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013813762	1	56	0.0	-69.05	405.50	7.90	-61.15
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013813763	0	53	0.0	-69.24	369.48	7.03	-62.21
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013813763	1	53	0.0	-69.93	375.86	7.02	-62.91
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013813764	0	54	0.0	-69.98	381.26	8.37	-61.61
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013813764	1	54	0.0	-69.50	376.64	8.40	-61.10
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300013813765	0	57	0.0	-51.35	386.83	9.67	-41.68
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300013813765	1	57	0.0	-51.16	385.89	9.65	-41.51
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013813766	0	57	0.0	-66.12	383.90	9.13	-56.99
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013813766	1	57	0.0	-65.54	389.60	9.08	-56.46
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013813767	0	57	0.0	-74.13	388.25	9.05	-65.08
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013813767	1	57	0.0	-71.81	386.44	9.28	-62.53
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013813768	0	58	0.0	-54.93	396.21	6.52	-48.41
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013813768	1	58	0.0	-54.13	398.22	6.32	-47.81
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013813769	0	56	0.0	-64.41	389.40	7.24	-57.17
CC1CCC[N@H+](C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013813769	1	56	0.0	-65.01	395.79	7.22	-57.79
CCC(CC)(CNC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013813770	0	59	0.0	-54.96	397.00	8.20	-46.76
CCC(CC)(CNC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013813770	1	59	0.0	-55.26	408.10	8.02	-47.24
CC(C)C(CNC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013813771	0	56	0.0	-56.20	391.91	7.51	-48.69
CC(C)C(CNC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013813771	1	56	0.0	-56.31	391.83	7.63	-48.68
CC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013813772	0	63	0.0	-72.96	439.23	9.05	-63.91
CC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013813772	1	63	0.0	-74.03	438.96	9.05	-64.98
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013813773	0	60	0.0	-56.30	424.99	9.67	-46.63
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013813773	1	60	0.0	-56.37	431.38	9.66	-46.71
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013813774	0	54	0.0	-63.76	377.40	7.64	-56.12
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013813774	1	54	0.0	-60.85	377.21	7.60	-53.25
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013813775	0	60	0.0	-71.87	417.20	10.22	-61.65
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013813775	1	60	0.0	-67.35	410.19	10.25	-57.10
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013813776	0	56	0.0	-67.03	394.21	7.07	-59.96
CC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013813776	1	56	0.0	-66.11	394.40	6.98	-59.13
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013813777	0	57	0.0	-53.83	401.31	8.37	-45.46
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013813777	1	57	0.0	-57.04	400.96	8.40	-48.64
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013813778	0	57	0.0	-67.13	388.94	9.49	-57.64
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013813778	1	57	0.0	-65.01	386.33	9.28	-55.73
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013813779	0	54	0.0	-52.16	383.18	7.66	-44.50
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013813779	1	54	0.0	-54.66	383.81	7.56	-47.10
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013813780	0	57	0.0	-64.73	394.14	8.85	-55.88
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013813780	1	57	0.0	-66.77	408.51	8.40	-58.37
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013813781	0	57	0.0	-66.12	383.90	9.13	-56.99
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013813781	1	57	0.0	-65.54	389.60	9.08	-56.46
CC(C)C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013813782	0	62	0.0	-64.28	422.28	8.68	-55.60
CC(C)C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013813782	1	62	0.0	-63.06	428.99	8.77	-54.29
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013813783	0	54	0.0	-59.87	387.59	8.56	-51.31
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013813783	1	54	0.0	-62.88	393.88	8.54	-54.34
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C1	REAL300013813784	0	58	0.0	-70.54	414.66	7.51	-63.03
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C1	REAL300013813784	1	58	0.0	-74.41	406.73	8.19	-66.22
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013813785	0	51	0.0	-64.67	367.84	6.87	-57.80
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013813785	1	51	0.0	-64.91	367.94	6.91	-58.00
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013813786	0	59	0.0	-69.24	415.90	5.91	-63.33
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013813786	1	59	0.0	-67.97	416.01	5.98	-61.99
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013813787	0	54	0.0	-72.55	370.65	8.82	-63.73
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013813787	1	54	0.0	-72.14	370.47	8.84	-63.30
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013813788	0	54	0.0	-51.44	377.91	8.85	-42.59
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013813788	1	54	0.0	-52.07	377.69	8.85	-43.22
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013813789	0	51	0.0	-63.60	361.41	6.91	-56.69
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013813789	1	51	0.0	-64.93	367.97	6.91	-58.02
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013813790	0	51	0.0	-66.90	367.89	6.94	-59.96
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013813790	1	51	0.0	-67.47	367.53	6.94	-60.53
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013813791	0	54	0.0	-69.22	400.61	8.42	-60.80
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013813791	1	54	0.0	-68.94	400.27	8.43	-60.51
CCC(CNC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013813792	0	53	0.0	-53.71	369.57	7.20	-46.51
CCC(CNC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013813792	1	53	0.0	-55.79	381.51	7.00	-48.79
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013813793	0	60	0.0	-74.76	411.09	10.24	-64.52
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013813793	1	60	0.0	-74.74	403.65	10.20	-64.54
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013813794	0	62	0.0	-70.75	442.11	9.48	-61.27
CC1CCC[N@H+](C(C)(C)CNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013813794	1	62	0.0	-71.43	448.50	9.46	-61.97
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013813795	0	59	0.0	-71.71	420.61	8.70	-63.01
CC1CCC[N@H+](C(C)(C)CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013813795	1	59	0.0	-72.38	427.00	8.68	-63.70
CC1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCCC(=O)[O-])C1	REAL300013813796	0	53	0.0	-67.61	373.75	8.75	-58.86
CC1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCCC(=O)[O-])C1	REAL300013813796	1	53	0.0	-68.06	373.39	8.74	-59.32
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013813797	0	57	0.0	-74.52	392.23	9.57	-64.95
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013813797	1	57	0.0	-73.81	392.29	9.57	-64.24
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C1	REAL300013813798	0	61	0.0	-77.08	423.28	9.28	-67.80
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C1	REAL300013813798	1	61	0.0	-77.78	424.28	8.72	-69.06
COCCN(CCC(=O)[O-])C(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300013813799	0	57	0.0	-49.53	405.44	8.09	-41.44
COCCN(CCC(=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300013813799	1	57	0.0	-50.25	405.08	8.09	-42.16
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013813800	0	60	0.0	-73.72	417.79	10.27	-63.45
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013813800	1	60	0.0	-73.04	410.56	10.24	-62.80
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013813801	0	58	0.0	-80.25	412.96	10.82	-69.43
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013813801	1	58	0.0	-69.21	413.37	10.96	-58.25
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013813802	0	55	0.0	-65.39	382.81	7.49	-57.90
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013813802	1	55	0.0	-67.12	389.46	7.54	-59.58
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013813803	0	57	0.0	-49.95	391.18	9.42	-40.53
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013813803	1	57	0.0	-51.15	393.08	9.41	-41.74
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013813804	0	61	0.0	-52.96	438.39	11.36	-41.60
CC1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013813804	1	61	0.0	-60.22	439.48	11.40	-48.82
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013813805	0	55	0.0	-70.95	386.81	6.33	-64.62
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013813805	1	55	0.0	-69.76	386.54	6.37	-63.39
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013813806	0	58	0.0	-66.99	420.75	9.50	-57.49
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013813806	1	58	0.0	-68.44	422.93	9.68	-58.76
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013813807	0	61	0.0	-80.23	422.11	8.68	-71.55
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013813807	1	61	0.0	-76.25	428.56	8.66	-67.59
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)CC1	REAL300013813808	0	61	0.0	-71.48	415.17	8.87	-62.61
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)CC1	REAL300013813808	1	61	0.0	-68.31	420.58	8.99	-59.32
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013813809	0	52	0.0	-73.07	378.07	7.12	-65.95
CC1CCC[N@H+](C(C)(C)CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013813809	1	52	0.0	-72.64	377.71	7.14	-65.50
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013813810	0	63	0.0	-68.57	423.90	9.06	-59.51
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013813810	1	63	0.0	-61.31	417.18	9.09	-52.22
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013813811	0	57	0.0	-61.67	398.83	8.55	-53.12
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013813811	1	57	0.0	-60.11	391.73	8.58	-51.53
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013813812	0	60	0.0	-71.62	422.99	8.84	-62.78
CC1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013813812	1	60	0.0	-70.24	414.60	8.82	-61.42
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013813813	0	57	0.0	-60.97	394.87	9.46	-51.51
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013813813	1	57	0.0	-70.20	394.68	9.48	-60.72
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013813814	0	58	0.0	-72.76	411.50	8.85	-63.91
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013813814	1	58	0.0	-70.65	411.28	8.89	-61.76
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013813815	0	57	0.0	-66.05	395.98	8.14	-57.91
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013813815	1	57	0.0	-66.27	396.15	8.14	-58.13
CC1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013813816	0	57	0.0	-65.43	395.05	8.10	-57.33
CC1CCC[N@H+](C(C)(C)CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013813816	1	57	0.0	-62.07	397.93	8.55	-53.52
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013813817	0	58	0.0	-55.84	405.97	6.44	-49.40
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013813817	1	58	0.0	-56.62	402.96	6.58	-50.04
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013813818	0	55	0.0	-55.07	392.71	5.80	-49.27
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013813818	1	55	0.0	-57.57	392.17	5.85	-51.72
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013813819	0	52	0.0	-64.88	373.07	7.65	-57.23
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013813819	1	52	0.0	-65.34	379.13	7.63	-57.71
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013813820	0	51	0.0	-51.49	361.77	7.29	-44.20
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013813820	1	51	0.0	-60.61	365.35	6.88	-53.73
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013813821	0	58	0.0	-58.64	406.40	9.66	-48.98
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013813821	1	58	0.0	-58.06	398.00	9.61	-48.45
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013813822	0	54	0.0	-62.79	396.90	8.67	-54.12
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013813822	1	54	0.0	-58.22	389.83	8.62	-49.60
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013813823	0	55	0.0	-55.29	385.17	8.06	-47.23
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013813823	1	55	0.0	-74.39	384.84	8.06	-66.33
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)[N@@H+]2CCCC(C)C2)C1	REAL300013813824	0	58	0.0	-71.74	403.41	7.81	-63.93
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)[N@H+]2CCCC(C)C2)C1	REAL300013813824	1	58	0.0	-52.67	401.94	7.95	-44.72
CC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013813825	0	51	0.0	-68.52	363.63	7.88	-60.64
CC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013813825	1	51	0.0	-68.19	363.59	7.91	-60.28
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013813826	0	52	0.0	-72.19	378.74	7.64	-64.55
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013813826	1	52	0.0	-71.88	378.74	7.63	-64.25
CC(CCC(=O)[O-])NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1	REAL300013813827	0	53	0.0	-61.92	375.88	7.37	-54.55
CC(CCC(=O)[O-])NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1	REAL300013813827	1	53	0.0	-62.16	375.52	7.36	-54.80
CCC[N@@H+]1CCC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013813828	0	48	0.0	-76.65	380.96	7.41	-69.24
CCC[N@H+]1CCC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013813828	1	48	0.0	-77.01	380.05	7.36	-69.65
CCC[N@@H+]1CCC(CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013813829	0	51	0.0	-77.42	381.85	7.09	-70.33
CCC[N@H+]1CCC(CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013813829	1	51	0.0	-68.54	377.21	7.47	-61.07
CCC[N@@H+]1CCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013813830	0	48	0.0	-76.86	380.97	7.40	-69.46
CCC[N@H+]1CCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013813830	1	48	0.0	-76.64	380.33	7.38	-69.26
CCC[N@@H+]1CCC(CNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C1	REAL300013813831	0	58	0.0	-79.53	435.32	11.33	-68.20
CCC[N@H+]1CCC(CNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C1	REAL300013813831	1	58	0.0	-72.53	428.80	10.86	-61.67
CCC[N@@H+]1CCC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300013813832	0	51	0.0	-60.33	373.53	8.61	-51.72
CCC[N@H+]1CCC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300013813832	1	51	0.0	-79.79	378.35	8.31	-71.48
CCC[N@@H+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013813833	0	51	0.0	-74.19	369.98	7.98	-66.21
CCC[N@H+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013813833	1	51	0.0	-75.15	369.67	7.99	-67.16
CCC[N@@H+]1CCC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013813834	0	51	0.0	-60.72	367.49	8.00	-52.72
CCC[N@H+]1CCC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013813834	1	51	0.0	-60.23	366.74	8.00	-52.23
CCC[N@@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013813835	0	52	0.0	-65.90	382.87	5.50	-60.40
CCC[N@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013813835	1	52	0.0	-65.84	382.49	5.38	-60.46
CCC[N@@H+]1CCC(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013813836	0	53	0.0	-64.54	386.14	7.32	-57.22
CCC[N@H+]1CCC(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013813836	1	53	0.0	-62.65	383.47	7.14	-55.51
CCC[N@@H+]1CCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013813837	0	57	0.0	-77.81	419.97	8.41	-69.40
CCC[N@H+]1CCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013813837	1	57	0.0	-77.50	415.69	7.85	-69.65
CCC[N@@H+]1CCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013813838	0	54	0.0	-66.81	411.65	8.66	-58.15
CCC[N@H+]1CCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013813838	1	54	0.0	-66.13	411.44	8.60	-57.53
CCC[N@@H+]1CCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013813839	0	54	0.0	-76.41	397.94	9.26	-67.15
CCC[N@H+]1CCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013813839	1	54	0.0	-75.90	396.99	9.21	-66.69
CCC[N@@H+]1CCC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013813840	0	50	0.0	-75.58	374.28	5.86	-69.72
CCC[N@H+]1CCC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013813840	1	50	0.0	-75.71	374.14	5.88	-69.83
CCC[N@@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013813841	0	51	0.0	-64.55	381.23	7.34	-57.21
CCC[N@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013813841	1	51	0.0	-65.78	380.94	7.34	-58.44
CCC[N@@H+]1CCC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013813842	0	51	0.0	-70.92	369.43	8.55	-62.37
CCC[N@H+]1CCC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013813842	1	51	0.0	-72.90	370.02	8.48	-64.42
CCC[N@@H+]1CCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013813843	0	51	0.0	-74.45	389.20	7.36	-67.09
CCC[N@H+]1CCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013813843	1	51	0.0	-68.27	386.23	7.30	-60.97
CCC[N@@H+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013813844	0	51	0.0	-74.19	369.98	7.98	-66.21
CCC[N@H+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013813844	1	51	0.0	-75.15	369.67	7.99	-67.16
CCC[N@@H+]1CCC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013813845	0	56	0.0	-68.18	415.10	7.89	-60.29
CCC[N@H+]1CCC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013813845	1	56	0.0	-68.61	414.20	7.85	-60.76
CCC[N@@H+]1CCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013813846	0	48	0.0	-71.37	374.15	7.53	-63.84
CCC[N@H+]1CCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013813846	1	48	0.0	-71.18	373.66	7.47	-63.71
CCC[N@@H+]1CCC(CNC(=O)N2CCC(COC)(C(=O)[O-])C2)C1	REAL300013813847	0	52	0.0	-80.72	392.51	7.00	-73.72
CCC[N@H+]1CCC(CNC(=O)N2CCC(COC)(C(=O)[O-])C2)C1	REAL300013813847	1	52	0.0	-76.64	391.71	7.06	-69.58
CCC[N@@H+]1CCC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013813848	0	53	0.0	-75.72	396.24	4.90	-70.82
CCC[N@H+]1CCC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013813848	1	53	0.0	-75.25	395.61	4.88	-70.37
CCC[N@@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)C1	REAL300013813849	0	58	0.0	-76.34	435.58	9.16	-67.18
CCC[N@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)C1	REAL300013813849	1	58	0.0	-65.81	439.48	8.97	-56.84
CCC[N@@H+]1CCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013813850	0	48	0.0	-76.86	380.97	7.40	-69.46
CCC[N@H+]1CCC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013813850	1	48	0.0	-76.64	380.33	7.38	-69.26
CCC[N@@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)C1	REAL300013813851	0	58	0.0	-63.42	436.88	9.12	-54.30
CCC[N@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)C1	REAL300013813851	1	58	0.0	-67.74	437.30	9.15	-58.59
CCC[N@@H+]1CCC(CNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013813852	0	54	0.0	-80.27	391.08	9.20	-71.07
CCC[N@H+]1CCC(CNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013813852	1	54	0.0	-79.50	390.58	9.17	-70.33
CCC[N@@H+]1CCC(CNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013813853	0	56	0.0	-76.49	429.19	8.43	-68.06
CCC[N@H+]1CCC(CNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013813853	1	56	0.0	-76.05	428.56	8.41	-67.64
CCC[N@@H+]1CCC(CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013813854	0	53	0.0	-77.36	407.69	7.65	-69.71
CCC[N@H+]1CCC(CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013813854	1	53	0.0	-76.85	407.06	7.62	-69.23
CCC[N@@H+]1CCC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013813855	0	51	0.0	-78.79	372.45	8.53	-70.26
CCC[N@H+]1CCC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013813855	1	51	0.0	-80.04	371.70	8.45	-71.59
CCC[N@@H+]1CCC(CNC(=O)N2CCCC(COC)(C(=O)[O-])C2)C1	REAL300013813856	0	55	0.0	-82.07	403.17	8.28	-73.79
CCC[N@H+]1CCC(CNC(=O)N2CCCC(COC)(C(=O)[O-])C2)C1	REAL300013813856	1	55	0.0	-83.70	402.89	8.22	-75.48
CCC[N@@H+]1CCC(CNC(=O)N(CCOC)CCC(=O)[O-])C1	REAL300013813857	0	51	0.0	-60.11	392.51	7.04	-53.07
CCC[N@H+]1CCC(CNC(=O)N(CCOC)CCC(=O)[O-])C1	REAL300013813857	1	51	0.0	-59.65	387.56	7.26	-52.39
CCC[N@@H+]1CCC(CNC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C1	REAL300013813858	0	57	0.0	-80.67	430.25	9.25	-71.42
CCC[N@H+]1CCC(CNC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C1	REAL300013813858	1	57	0.0	-79.87	430.27	9.26	-70.61
CCC[N@@H+]1CCC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013813859	0	54	0.0	-78.48	398.04	9.20	-69.28
CCC[N@H+]1CCC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013813859	1	54	0.0	-77.65	397.26	9.20	-68.45
CCC[N@@H+]1CCC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013813860	0	52	0.0	-85.27	393.15	9.86	-75.41
CCC[N@H+]1CCC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013813860	1	52	0.0	-82.92	390.56	9.65	-73.27
CCC[N@@H+]1CCC(CNC(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)C1	REAL300013813861	0	59	0.0	-72.05	439.49	8.15	-63.90
CCC[N@H+]1CCC(CNC(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)C1	REAL300013813861	1	59	0.0	-70.77	437.13	8.18	-62.59
CCC[N@@H+]1CCC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013813862	0	49	0.0	-72.28	369.83	6.52	-65.76
CCC[N@H+]1CCC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013813862	1	49	0.0	-72.67	369.31	6.45	-66.22
CCC[N@@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013813863	0	51	0.0	-61.83	373.91	8.42	-53.41
CCC[N@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013813863	1	51	0.0	-60.83	372.12	8.40	-52.43
CCC[N@@H+]1CCC(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013813864	0	55	0.0	-66.66	419.71	10.38	-56.28
CCC[N@H+]1CCC(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013813864	1	55	0.0	-65.26	419.19	10.25	-55.01
CCC[N@@H+]1CCC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013813865	0	49	0.0	-75.54	366.79	5.36	-70.18
CCC[N@H+]1CCC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013813865	1	49	0.0	-75.74	366.75	5.31	-70.43
CCC[N@@H+]1CCC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013813866	0	52	0.0	-71.80	398.38	8.44	-63.36
CCC[N@H+]1CCC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013813866	1	52	0.0	-74.95	402.80	8.55	-66.40
CCC[N@@H+]1CCC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013813867	0	55	0.0	-79.11	411.79	6.71	-72.40
CCC[N@H+]1CCC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013813867	1	55	0.0	-85.65	408.44	7.54	-78.11
CCC[N@@H+]1CCC(CNC(=O)N2CCC(COC)(C(=O)[O-])CC2)C1	REAL300013813868	0	55	0.0	-76.43	402.14	7.87	-68.56
CCC[N@H+]1CCC(CNC(=O)N2CCC(COC)(C(=O)[O-])CC2)C1	REAL300013813868	1	55	0.0	-77.43	401.54	7.77	-69.66
CCC[N@@H+]1CCC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013813869	0	57	0.0	-67.17	403.89	8.08	-59.09
CCC[N@H+]1CCC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013813869	1	57	0.0	-71.50	403.75	7.97	-63.53
CCC[N@@H+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013813870	0	51	0.0	-68.39	379.43	7.57	-60.82
CCC[N@H+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013813870	1	51	0.0	-68.77	377.56	7.41	-61.36
CCC[N@@H+]1CCC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013813871	0	54	0.0	-76.12	401.26	7.71	-68.41
CCC[N@H+]1CCC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013813871	1	54	0.0	-75.34	401.30	7.80	-67.54
CCC[N@@H+]1CCC(CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013813872	0	51	0.0	-76.02	375.63	8.48	-67.54
CCC[N@H+]1CCC(CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013813872	1	51	0.0	-75.20	374.68	8.43	-66.77
CCC[N@@H+]1CCC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013813873	0	52	0.0	-76.79	392.30	7.92	-68.87
CCC[N@H+]1CCC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013813873	1	52	0.0	-76.90	391.28	7.85	-69.05
CCC[N@@H+]1CCC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013813874	0	51	0.0	-71.26	382.57	7.06	-64.20
CCC[N@H+]1CCC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013813874	1	51	0.0	-72.42	382.22	7.00	-65.42
CCC[N@@H+]1CCC(CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013813875	0	51	0.0	-69.25	378.40	7.52	-61.73
CCC[N@H+]1CCC(CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013813875	1	51	0.0	-68.97	378.44	7.52	-61.45
CCC[N@@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013813876	0	52	0.0	-62.67	383.58	5.54	-57.13
CCC[N@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013813876	1	52	0.0	-63.05	383.32	5.46	-57.59
CCC[N@@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013813877	0	49	0.0	-62.22	370.73	4.68	-57.54
CCC[N@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013813877	1	49	0.0	-66.31	372.07	4.70	-61.61
CCC[N@@H+]1CCC(CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C1	REAL300013813878	0	60	0.0	-76.14	455.22	9.81	-66.33
CCC[N@H+]1CCC(CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C1	REAL300013813878	1	60	0.0	-76.55	455.31	9.73	-66.82
CCC[N@@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013813879	0	52	0.0	-66.98	386.42	8.54	-58.44
CCC[N@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013813879	1	52	0.0	-65.83	384.72	8.56	-57.27
CCC[N@@H+]1CCC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013813880	0	48	0.0	-67.23	377.28	7.57	-59.66
CCC[N@H+]1CCC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013813880	1	48	0.0	-68.78	377.87	7.51	-61.27
CCC[N@@H+]1CCC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013813881	0	49	0.0	-79.74	365.86	7.05	-72.69
CCC[N@H+]1CCC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013813881	1	49	0.0	-79.88	364.70	6.94	-72.94
CCC[N@@H+]1CCC(CNC(=O)N2CC(OC)CC(C(=O)[O-])C2)C1	REAL300013813882	0	52	0.0	-62.05	391.05	6.79	-55.26
CCC[N@H+]1CCC(CNC(=O)N2CC(OC)CC(C(=O)[O-])C2)C1	REAL300013813882	1	52	0.0	-62.49	391.52	6.78	-55.71
CCC[N@@H+]1CCC(CNC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C1	REAL300013813883	0	57	0.0	-84.44	435.83	6.30	-78.14
CCC[N@H+]1CCC(CNC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C1	REAL300013813883	1	57	0.0	-85.19	435.36	6.25	-78.94
CC(CC1=CC=C(O)C=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013814080	1	49	0.0	-44.26	383.54	5.16	-39.10
COC(=O)C1=CC=C(OCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013814152	1	52	0.0	-41.53	417.37	6.53	-35.00
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2=CC=CC(Br)=C2)CC1	REAL300013814223	1	48	0.0	-37.44	397.45	8.44	-29.00
CC1=CC=C(CC(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=C1	REAL300013814289	1	54	0.0	-41.50	410.80	9.07	-32.43
CCN(CC)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1F	REAL300013814365	1	56	0.0	-37.50	433.21	7.40	-30.10
O=C([O-])CCNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300013814405	1	45	0.0	-82.22	385.92	7.75	-74.47
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300013814406	1	48	0.0	-80.57	407.41	8.54	-72.03
CC(CNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1)C(=O)[O-]	REAL300013814407	1	48	0.0	-83.18	403.58	8.49	-74.69
O=C([O-])C1CN(C(=O)NC2CC[NH+](CC3=CC=C(Cl)C(Cl)=C3)CC2)C1	REAL300013814408	1	46	0.0	-77.26	393.65	9.31	-67.95
O=C([O-])C[NH+]1CCC(NC(=O)NCCNC(=O)C2=CC=C(F)C=C2)CC1	REAL300013814441	1	49	0.0	-41.49	395.73	4.75	-36.74
O=C([O-])C[NH+]1CCC(NC(=O)NCCCN(C(=O)C2CCC2)C2CC2)CC1	REAL300013814516	1	59	0.0	-44.95	443.19	7.94	-37.01
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=NC(OCC3CC3)=C2)CC1	REAL300013814588	1	52	0.0	-37.88	413.76	5.49	-32.39
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013814631	0	55	0.0	-79.16	407.36	7.31	-71.85
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013814632	0	55	0.0	-84.56	431.73	6.95	-77.61
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013814633	0	53	0.0	-84.86	400.98	5.79	-79.07
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013814634	0	58	0.0	-84.77	434.00	6.69	-78.08
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCCC(=O)[O-])CC1	REAL300013814635	0	54	0.0	-84.39	415.52	5.68	-78.71
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013814636	0	55	0.0	-84.91	430.92	6.96	-77.95
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC(=O)[O-])CC1	REAL300013814637	0	48	0.0	-81.56	372.93	4.09	-77.47
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013814638	0	57	0.0	-83.16	436.60	6.47	-76.69
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013814639	0	54	0.0	-84.91	406.99	5.58	-79.33
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013814640	0	55	0.0	-82.63	413.98	6.89	-75.74
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1	REAL300013814641	0	58	0.0	-67.82	429.59	7.95	-59.87
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013814642	0	58	0.0	-81.02	421.00	7.68	-73.34
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013814643	0	51	0.0	-79.44	393.64	4.90	-74.54
CC1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1C(=O)[O-]	REAL300013814644	0	58	0.0	-84.59	418.57	7.57	-77.02
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013814645	0	59	0.0	-71.67	434.64	4.84	-66.83
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013814646	0	57	0.0	-80.29	427.13	5.77	-74.52
CCC(CC)(CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)[O-]	REAL300013814647	0	60	0.0	-74.81	440.01	6.57	-68.24
CC(CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)[O-]	REAL300013814648	0	51	0.0	-82.95	391.06	4.87	-78.08
CC(C)C(CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)[O-]	REAL300013814649	0	57	0.0	-73.23	423.54	6.19	-67.04
CC(NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013814650	0	64	0.0	-85.48	470.87	7.99	-77.49
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013814651	0	55	0.0	-78.16	414.85	6.14	-72.02
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013814652	0	61	0.0	-82.18	448.18	8.77	-73.41
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013814653	0	57	0.0	-79.38	425.15	5.51	-73.87
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013814654	0	58	0.0	-73.28	432.02	6.91	-66.37
CC1CN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCC1C(=O)[O-]	REAL300013814655	0	58	0.0	-78.20	420.19	8.07	-70.13
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013814656	0	55	0.0	-72.00	415.36	6.05	-65.95
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013814657	0	58	0.0	-82.60	439.52	6.89	-75.71
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013814658	0	58	0.0	-81.02	421.00	7.68	-73.34
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)CC(=O)[O-]	REAL300013814659	0	63	0.0	-75.50	464.97	7.42	-68.08
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013814660	0	55	0.0	-79.05	424.95	7.06	-71.99
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1	REAL300013814661	0	59	0.0	-85.90	446.09	6.21	-79.69
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013814662	0	52	0.0	-78.85	398.64	5.43	-73.42
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013814663	0	60	0.0	-80.68	447.07	4.49	-76.19
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013814664	0	55	0.0	-68.24	408.68	7.38	-60.86
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013814665	0	55	0.0	-85.32	408.00	7.35	-77.97
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013814666	0	52	0.0	-78.99	399.03	5.42	-73.57
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013814667	0	52	0.0	-80.68	398.51	5.47	-75.21
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013814668	0	55	0.0	-84.91	430.92	6.96	-77.95
CCC(CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)[O-]	REAL300013814669	0	54	0.0	-71.99	407.63	5.67	-66.32
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013814670	0	61	0.0	-86.32	441.75	8.71	-77.61
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013814671	0	63	0.0	-84.85	480.66	8.04	-76.81
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013814672	0	60	0.0	-86.00	458.51	7.25	-78.75
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013814673	0	54	0.0	-84.23	411.19	7.25	-76.98
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013814674	0	58	0.0	-86.13	423.42	8.13	-78.00
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1	REAL300013814675	0	62	0.0	-90.24	455.20	7.29	-82.95
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	REAL300013814676	0	58	0.0	-67.84	443.74	6.63	-61.21
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013814677	0	61	0.0	-84.70	449.11	8.78	-75.92
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013814678	0	56	0.0	-76.70	420.50	6.11	-70.59
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	REAL300013814679	0	58	0.0	-68.88	424.35	7.95	-60.93
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013814680	0	56	0.0	-83.21	418.55	4.91	-78.30
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1	REAL300013814681	0	62	0.0	-87.09	453.22	6.74	-80.35
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013814682	0	53	0.0	-84.68	408.82	5.70	-78.98
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013814683	0	64	0.0	-78.38	455.37	7.62	-70.76
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013814684	0	58	0.0	-77.10	428.28	7.06	-70.04
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013814685	0	61	0.0	-83.51	452.48	7.39	-76.12
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013814686	0	58	0.0	-82.29	425.86	7.99	-74.30
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013814687	0	59	0.0	-82.36	442.44	7.40	-74.96
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013814688	0	58	0.0	-80.02	433.48	6.66	-73.36
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013814689	0	58	0.0	-78.32	429.11	7.07	-71.25
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013814690	0	59	0.0	-71.98	435.53	5.23	-66.75
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013814691	0	56	0.0	-73.58	420.33	4.20	-69.38
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013814692	0	53	0.0	-80.57	410.48	6.14	-74.43
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013814693	0	52	0.0	-70.33	398.80	5.81	-64.52
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013814694	0	59	0.0	-74.11	435.44	8.13	-65.98
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013814695	0	56	0.0	-86.59	416.35	6.54	-80.05
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013814696	0	49	0.0	-74.17	380.26	5.67	-68.50
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1	REAL300013814697	0	59	0.0	-69.67	441.39	6.38	-63.29
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013814698	0	52	0.0	-80.87	395.35	6.44	-74.43
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013814699	0	53	0.0	-84.33	409.07	6.16	-78.17
CC(CCC(=O)[O-])NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1	REAL300013814700	0	54	0.0	-76.51	414.42	5.92	-70.59
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013814701	1	46	0.0	-67.29	355.49	8.38	-58.91
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013814702	1	46	0.0	-71.92	378.18	7.86	-64.06
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013814703	1	44	0.0	-73.30	347.26	6.68	-66.62
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013814704	1	49	0.0	-63.40	375.98	8.02	-55.38
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013814705	1	46	0.0	-72.66	378.19	7.84	-64.82
CC1=[NH+]C=CN1CC(C)CNC(=O)NCCCCCC(=O)[O-]	REAL300013814706	1	48	0.0	-69.84	383.42	7.30	-62.54
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013814707	1	56	0.0	-69.28	428.10	11.53	-57.75
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013814708	1	46	0.0	-74.05	359.20	7.93	-66.12
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013814709	1	49	0.0	-57.00	375.73	8.81	-48.19
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013814710	1	49	0.0	-67.72	368.82	8.58	-59.14
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013814711	1	49	0.0	-72.75	371.26	8.80	-63.95
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013814712	1	50	0.0	-58.79	382.42	5.81	-52.98
CC1=[NH+]C=CN1CC(C)CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013814713	1	48	0.0	-66.91	373.71	6.63	-60.28
CCC(CC)(CNC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300013814714	1	51	0.0	-58.80	381.31	7.59	-51.21
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013814715	1	48	0.0	-61.46	369.95	7.04	-54.42
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013814716	1	55	0.0	-74.05	416.55	8.77	-65.28
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013814717	1	52	0.0	-62.38	409.30	9.06	-53.32
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013814718	1	46	0.0	-66.17	361.20	6.91	-59.26
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013814719	1	52	0.0	-68.94	396.33	9.86	-59.08
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013814720	1	48	0.0	-72.35	373.06	6.44	-65.91
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013814721	1	49	0.0	-60.72	379.80	7.88	-52.84
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013814722	1	49	0.0	-67.43	368.25	9.05	-58.38
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013814723	1	46	0.0	-59.20	362.73	7.04	-52.16
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013814724	1	49	0.0	-70.78	387.74	7.94	-62.84
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013814725	1	49	0.0	-67.72	368.82	8.58	-59.14
CC1=[NH+]C=CN1CC(C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013814726	1	54	0.0	-66.75	406.92	8.18	-58.57
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013814727	1	46	0.0	-68.13	371.81	7.95	-60.18
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)CN2C=C[NH+]=C2C)C1	REAL300013814728	1	50	0.0	-73.31	392.92	6.99	-66.32
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013814730	1	56	0.0	-61.69	437.56	9.51	-52.18
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013814731	1	46	0.0	-72.91	354.47	8.18	-64.73
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013814732	1	46	0.0	-73.30	355.00	8.22	-65.08
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013814733	1	46	0.0	-72.66	378.19	7.84	-64.82
COC(=O)C1CC2(C1)CN(C(=O)NCC(C)CN1C=C[NH+]=C1C)CC2C(=O)[O-]	REAL300013814734	1	56	0.0	-65.77	439.46	9.80	-55.97
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013814735	1	52	0.0	-75.71	389.14	9.72	-65.99
CC1=[NH+]C=CN1CC(C)CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013814736	1	54	0.0	-71.77	426.42	8.87	-62.90
CC1=[NH+]C=CN1CC(C)CNC(=O)NCCCCCCC(=O)[O-]	REAL300013814737	1	51	0.0	-72.59	404.92	8.09	-64.50
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013814738	1	49	0.0	-74.03	370.51	9.10	-64.93
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)CN2C=C[NH+]=C2C)C1	REAL300013814739	1	53	0.0	-77.07	402.20	8.90	-68.17
COCCN(CCC(=O)[O-])C(=O)NCC(C)CN1C=C[NH+]=C1C	REAL300013814740	1	49	0.0	-57.04	389.74	7.49	-49.55
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013814741	1	55	0.0	-75.74	428.95	9.79	-65.95
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013814742	1	52	0.0	-73.29	395.28	9.68	-63.61
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013814743	1	50	0.0	-74.38	387.52	10.98	-63.40
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC(C)CN2C=C[NH+]=C2C)CCO1	REAL300013814744	1	57	0.0	-71.19	443.64	8.43	-62.76
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013814745	1	47	0.0	-63.44	368.23	7.01	-56.43
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013814746	1	49	0.0	-57.20	370.56	8.88	-48.32
CC1=[NH+]C=CN1CC(C)CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013814747	1	53	0.0	-62.63	418.50	10.91	-51.72
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013814748	1	47	0.0	-70.55	365.25	5.90	-64.65
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013814749	1	50	0.0	-68.40	398.56	8.99	-59.41
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013814750	1	53	0.0	-82.57	406.50	8.07	-74.50
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)CN2C=C[NH+]=C2C)CC1	REAL300013814751	1	53	0.0	-71.76	398.52	8.38	-63.38
CC1=[NH+]C=CN1CC(C)CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013814752	1	44	0.0	-72.74	355.64	6.54	-66.20
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013814753	1	55	0.0	-63.72	402.21	8.63	-55.09
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013814754	1	49	0.0	-63.36	375.06	7.93	-55.43
CC1=[NH+]C=CN1CC(C)CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013814755	1	52	0.0	-71.70	400.57	8.26	-63.44
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013814756	1	49	0.0	-63.18	374.02	9.08	-54.10
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013814757	1	50	0.0	-71.25	390.56	8.47	-62.78
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013814758	1	49	0.0	-67.90	373.77	7.04	-60.86
CC1=[NH+]C=CN1CC(C)CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013814759	1	49	0.0	-65.45	377.30	8.05	-57.40
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013814760	1	50	0.0	-65.27	386.02	6.41	-58.86
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013814761	1	47	0.0	-60.07	367.57	5.08	-54.99
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013814762	1	58	0.0	-71.30	453.45	10.25	-61.05
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013814763	1	44	0.0	-67.58	350.06	6.53	-61.05
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013814764	1	50	0.0	-61.40	383.48	9.08	-52.32
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013814765	1	46	0.0	-62.86	375.69	8.15	-54.71
CC1=[NH+]C=CN1CC(C)CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013814766	1	47	0.0	-74.30	363.48	7.57	-66.73
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)CN2C=C[NH+]=C2C)C1	REAL300013814767	1	50	0.0	-59.63	386.90	7.45	-52.18
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013814768	1	44	0.0	-72.35	356.39	7.04	-65.31
CCNS(=O)(=O)CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013814844	1	46	0.0	-46.32	372.85	0.30	-46.02
CC(C)C1=NOC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013814912	1	49	0.0	-45.97	388.52	3.72	-42.25
O=C([O-])CCCCNC(=O)NCCCC[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300013814951	0	63	0.0	-79.93	479.94	11.15	-68.78
O=C([O-])CCNC(=O)NCCCC[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300013814952	0	57	0.0	-77.21	436.95	9.58	-67.63
CC(C)(CNC(=O)NCCCC[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013814953	0	63	0.0	-80.16	472.39	11.03	-69.13
O=C([O-])CCCNC(=O)NCCCC[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300013814954	0	60	0.0	-74.86	458.45	10.37	-64.49
CC(CNC(=O)NCCCC[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013814955	0	60	0.0	-78.47	455.49	10.33	-68.14
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCC(CC3=CC=CC=C3)CC2)C1	REAL300013814956	0	61	0.0	-75.29	463.89	10.94	-64.35
O=C([O-])C1CC(NC(=O)NCCCC[NH+]2CCC(CC3=CC=CC=C3)CC2)C1	REAL300013814957	0	61	0.0	-75.28	463.99	10.96	-64.32
O=C([O-])[C@H]1C[C@H](NC(=O)NCCCC[NH+]2CCC(CC3=CC=CC=C3)CC2)C1	REAL300013814958	0	61	0.0	-76.93	463.90	11.01	-65.92
CCC(CNC(=O)NCCCC[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013814959	0	63	0.0	-69.18	472.53	11.26	-57.92
CN(CCCC(=O)[O-])C(=O)NCCCC[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300013814960	0	63	0.0	-80.37	476.07	12.76	-67.61
O=C([O-])C12CC(NC(=O)NCCCC[NH+]3CCC(CC4=CC=CC=C4)CC3)(C1)C2	REAL300013814961	0	62	0.0	-81.37	474.12	11.18	-70.19
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCCCC[NH+]1CCC(CC3=CC=CC=C3)CC1)C2	REAL300013814962	0	62	0.0	-75.77	475.87	11.68	-64.09
O=C([O-])C1(CNC(=O)NCCCC[NH+]2CCC(CC3=CC=CC=C3)CC2)CC1	REAL300013814963	0	61	0.0	-66.62	464.20	11.23	-55.39
O=C([O-])C1CN(C(=O)NCCCC[NH+]2CCC(CC3=CC=CC=C3)CC2)C1	REAL300013814964	0	58	0.0	-71.18	444.94	11.26	-59.92
O=C([O-])C1CCN(C(=O)NCCCC[NH+]2CCC(CC3=CC=CC=C3)CC2)C1	REAL300013814965	0	61	0.0	-78.40	459.57	11.95	-66.45
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCCCC[NH+]1CCC(CC3=CC=CC=C3)CC1)C2	REAL300013814966	0	62	0.0	-81.21	474.81	11.70	-69.51
CC(CCC(=O)[O-])NC(=O)NCCCC[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300013814967	0	63	0.0	-72.96	478.20	11.39	-61.57
O=C([O-])C[NH+]1CCC(NC(=O)NCCS(=O)(=O)NCC2CCC2)CC1	REAL300013815001	1	53	0.0	-46.24	421.08	2.36	-43.88
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2=CC=CC(F)=C2)CC1	REAL300013815069	1	48	0.0	-38.15	382.57	7.90	-30.25
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013815109	0	59	0.0	-65.27	409.87	7.33	-57.94
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013815110	0	59	0.0	-73.44	433.95	6.95	-66.49
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013815111	0	57	0.0	-76.37	402.34	5.55	-70.82
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013815112	0	62	0.0	-77.71	436.59	6.64	-71.07
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCCCCC(=O)[O-])CC1	REAL300013815113	0	58	0.0	-75.25	417.69	5.61	-69.64
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013815114	0	59	0.0	-77.61	433.34	6.71	-70.90
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCCC(=O)[O-])CC1	REAL300013815115	0	52	0.0	-72.32	374.69	4.04	-68.28
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013815116	0	61	0.0	-73.07	439.19	6.39	-66.68
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013815117	0	58	0.0	-75.63	410.13	5.49	-70.14
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013815118	0	59	0.0	-74.26	413.58	6.72	-67.54
CC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C1	REAL300013815119	0	62	0.0	-53.90	431.69	7.92	-45.98
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013815120	0	62	0.0	-74.34	423.52	7.65	-66.69
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCCCC(=O)[O-])CC1	REAL300013815121	0	55	0.0	-68.61	396.19	4.83	-63.78
CC1CCN(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)CC1C(=O)[O-]	REAL300013815122	0	62	0.0	-76.96	419.80	7.31	-69.65
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013815123	0	63	0.0	-67.67	435.66	4.77	-62.90
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013815124	0	61	0.0	-69.39	428.90	5.71	-63.68
CCC(CC)(CNC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300013815125	0	64	0.0	-59.60	440.40	6.76	-52.84
CC(CNC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300013815126	0	55	0.0	-72.97	392.36	4.78	-68.19
CC(C)C(CNC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300013815127	0	61	0.0	-59.06	424.93	6.03	-53.03
CC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013815128	0	68	0.0	-75.16	472.33	7.90	-67.26
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013815129	0	59	0.0	-65.45	417.00	5.87	-59.58
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013815130	0	65	0.0	-76.57	450.41	8.64	-67.93
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013815131	0	61	0.0	-72.45	427.08	5.25	-67.20
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013815132	0	62	0.0	-67.93	434.03	6.66	-61.27
CC1CN(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)CCC1C(=O)[O-]	REAL300013815133	0	62	0.0	-64.69	422.65	7.82	-56.87
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013815134	0	59	0.0	-59.48	417.57	6.05	-53.43
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013815135	0	62	0.0	-72.26	441.08	6.59	-65.67
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013815136	0	62	0.0	-74.34	423.52	7.65	-66.69
CC(C)C[C@H](CNC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)CC(=O)[O-]	REAL300013815137	0	67	0.0	-75.68	462.24	7.26	-68.42
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013815138	0	59	0.0	-66.72	427.57	7.05	-59.67
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C1	REAL300013815139	0	63	0.0	-71.71	447.30	5.78	-65.93
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013815140	0	56	0.0	-69.78	401.45	5.30	-64.48
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013815141	0	64	0.0	-70.98	449.57	4.39	-66.59
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013815142	0	59	0.0	-77.16	409.54	7.07	-70.09
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013815143	0	59	0.0	-56.92	410.75	7.13	-49.79
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013815144	0	56	0.0	-69.90	401.49	5.31	-64.59
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013815145	0	56	0.0	-69.61	400.87	5.21	-64.40
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013815146	0	59	0.0	-77.61	433.34	6.71	-70.90
CCC(CNC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300013815147	0	58	0.0	-67.49	415.19	5.50	-61.99
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013815148	0	65	0.0	-83.83	443.77	8.47	-75.36
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013815149	0	67	0.0	-75.38	482.19	7.96	-67.42
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013815150	0	64	0.0	-76.97	460.69	7.18	-69.79
CN(CCCC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300013815151	0	58	0.0	-78.95	413.82	7.23	-71.72
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013815152	0	62	0.0	-78.09	424.89	7.84	-70.25
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C1	REAL300013815153	0	66	0.0	-80.58	455.47	7.72	-72.86
COCCN(CCC(=O)[O-])C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300013815154	0	62	0.0	-60.24	444.90	6.36	-53.88
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013815155	0	65	0.0	-79.37	451.01	8.78	-70.59
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013815156	0	60	0.0	-69.55	422.58	5.91	-63.64
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300013815157	0	62	0.0	-60.79	427.00	7.79	-53.00
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013815158	0	60	0.0	-73.81	419.61	4.64	-69.17
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)CC1	REAL300013815159	0	66	0.0	-76.58	455.53	6.75	-69.83
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013815160	0	57	0.0	-76.68	411.23	5.54	-71.14
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013815161	0	68	0.0	-68.07	457.24	7.62	-60.45
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013815162	0	62	0.0	-61.97	431.53	6.84	-55.13
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013815163	0	65	0.0	-72.82	454.40	7.11	-65.71
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013815164	0	62	0.0	-74.73	428.09	7.86	-66.87
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013815165	0	63	0.0	-70.19	444.93	7.43	-62.76
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013815166	0	62	0.0	-71.56	435.43	6.40	-65.16
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013815167	0	62	0.0	-64.83	431.98	6.96	-57.87
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013815168	0	63	0.0	-65.71	437.91	4.98	-60.73
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013815169	0	60	0.0	-60.28	422.72	3.94	-56.34
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013815170	0	57	0.0	-66.66	412.81	6.13	-60.53
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013815171	0	56	0.0	-63.14	401.22	5.55	-57.59
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013815172	0	63	0.0	-63.00	439.04	7.93	-55.07
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013815173	0	60	0.0	-77.33	417.94	6.34	-70.99
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013815174	0	53	0.0	-64.31	382.44	5.62	-58.69
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)N2CCC([NH+](C)C)CC2)C1	REAL300013815175	0	63	0.0	-63.12	442.17	6.32	-56.80
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013815176	0	56	0.0	-72.78	397.32	6.42	-66.36
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013815177	0	57	0.0	-74.82	411.47	5.92	-68.90
CC(CCC(=O)[O-])NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1	REAL300013815178	0	58	0.0	-69.02	415.95	5.85	-63.17
CS(=O)(=O)CCN1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013815210	1	56	0.0	-46.51	432.11	1.60	-44.91
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300013815277	1	48	0.0	-42.64	390.85	6.53	-36.11
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)NS(C)(=O)=O	REAL300013815351	1	49	0.0	-42.42	374.85	0.86	-41.56
O=C([O-])C[NH+]1CCC(NC(=O)NCCOCC2CCOC2)CC1	REAL300013815422	1	50	0.0	-42.52	384.79	3.50	-39.02
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(SC3=CC=CC=C3)CCCC2)CC1	REAL300013815508	1	56	0.0	-36.27	424.27	9.69	-26.58
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013815543	1	52	0.0	-75.12	386.41	6.74	-68.38
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013815544	1	52	0.0	-80.28	409.58	6.42	-73.86
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013815545	1	50	0.0	-84.06	379.06	5.19	-78.87
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013815546	1	55	0.0	-83.54	412.13	6.07	-77.47
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCCCC(=O)[O-])CC1	REAL300013815547	1	51	0.0	-77.23	392.83	5.09	-72.14
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013815548	1	52	0.0	-80.68	410.00	6.39	-74.29
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC(=O)[O-])CC1	REAL300013815549	1	45	0.0	-74.26	350.65	3.49	-70.77
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013815550	1	54	0.0	-76.89	414.32	5.87	-71.02
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013815551	1	51	0.0	-77.24	385.30	4.93	-72.31
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013815552	1	52	0.0	-76.97	392.67	6.37	-70.60
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1	REAL300013815553	1	55	0.0	-68.46	407.31	7.35	-61.11
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013815554	1	55	0.0	-82.24	399.13	7.07	-75.17
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013815555	1	48	0.0	-73.00	372.39	4.32	-68.68
CC1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1C(=O)[O-]	REAL300013815556	1	55	0.0	-67.16	395.93	7.01	-60.15
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013815557	1	56	0.0	-68.09	413.31	4.28	-63.81
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013815558	1	54	0.0	-74.43	404.62	5.19	-69.24
CCC(CC)(CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(=O)[O-]	REAL300013815559	1	57	0.0	-70.93	416.95	5.96	-64.97
CC(CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(=O)[O-]	REAL300013815560	1	48	0.0	-75.32	367.50	4.25	-71.07
CC(C)C(CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(=O)[O-]	REAL300013815561	1	54	0.0	-69.12	401.27	5.59	-63.53
CC(NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013815562	1	61	0.0	-81.87	448.58	7.38	-74.49
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013815563	1	58	0.0	-73.00	441.10	7.62	-65.38
CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013815564	1	52	0.0	-77.07	393.85	5.56	-71.51
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013815565	1	58	0.0	-77.19	427.40	8.23	-68.96
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013815566	1	54	0.0	-82.08	403.74	4.94	-77.14
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013815567	1	55	0.0	-73.36	411.09	6.35	-67.01
CC1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCC1C(=O)[O-]	REAL300013815568	1	55	0.0	-74.24	399.23	7.48	-66.76
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013815569	1	52	0.0	-68.58	393.20	5.52	-63.06
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013815570	1	55	0.0	-74.53	416.83	6.29	-68.24
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013815571	1	55	0.0	-82.24	399.13	7.07	-75.17
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)CC(=O)[O-]	REAL300013815572	1	60	0.0	-71.42	437.67	6.72	-64.70
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013815573	1	52	0.0	-74.58	403.60	6.51	-68.07
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1	REAL300013815574	1	56	0.0	-80.52	424.10	5.63	-74.89
CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013815575	1	49	0.0	-73.75	376.93	4.86	-68.89
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013815577	1	52	0.0	-66.63	386.79	6.77	-59.86
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013815578	1	52	0.0	-79.11	386.63	6.78	-72.33
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013815579	1	49	0.0	-74.16	378.28	4.89	-69.27
CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013815580	1	49	0.0	-75.20	377.93	4.89	-70.31
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013815581	1	52	0.0	-80.68	410.00	6.39	-74.29
CCC(CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(=O)[O-]	REAL300013815582	1	51	0.0	-66.12	386.38	5.09	-61.03
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013815583	1	58	0.0	-78.38	420.37	8.14	-70.24
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013815584	1	60	0.0	-78.84	457.73	7.42	-71.42
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013815585	1	57	0.0	-78.98	436.23	6.64	-72.34
CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013815586	1	51	0.0	-79.91	390.27	6.68	-73.23
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013815587	1	55	0.0	-79.46	402.19	7.56	-71.90
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1	REAL300013815588	1	59	0.0	-83.32	434.32	6.69	-76.63
COCCN(CCC(=O)[O-])C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	REAL300013815589	1	55	0.0	-67.45	420.68	6.02	-61.43
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013815590	1	58	0.0	-78.63	427.51	8.18	-70.45
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013815591	1	56	0.0	-77.26	419.36	9.52	-67.74
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013815592	1	53	0.0	-72.78	398.86	5.54	-67.24
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	REAL300013815593	1	55	0.0	-67.50	403.39	7.38	-60.12
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013815594	1	53	0.0	-76.47	396.96	4.34	-72.13
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013815595	1	56	0.0	-76.13	428.78	7.42	-68.71
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013815596	1	59	0.0	-87.01	438.21	6.59	-80.42
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1	REAL300013815597	1	59	0.0	-81.58	432.04	6.21	-75.37
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013815598	1	50	0.0	-78.48	387.37	5.07	-73.41
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013815599	1	61	0.0	-74.35	432.98	7.09	-67.26
CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013815600	1	55	0.0	-74.13	406.39	6.46	-67.67
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013815601	1	58	0.0	-82.17	430.20	6.77	-75.40
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013815602	1	55	0.0	-76.84	404.09	7.43	-69.41
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013815603	1	56	0.0	-78.04	421.07	6.83	-71.21
CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013815604	1	55	0.0	-75.32	412.10	6.06	-69.26
CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013815605	1	55	0.0	-75.73	408.20	6.50	-69.23
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013815606	1	56	0.0	-67.72	415.16	4.69	-63.03
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013815607	1	53	0.0	-70.78	399.78	3.63	-67.15
CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013815608	1	50	0.0	-78.91	388.67	5.58	-73.33
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013815609	1	49	0.0	-67.46	377.88	5.24	-62.22
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013815610	1	56	0.0	-71.26	415.71	7.62	-63.64
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013815611	1	52	0.0	-70.04	406.17	6.61	-63.43
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013815612	1	53	0.0	-80.42	394.57	5.98	-74.44
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013815613	1	46	0.0	-73.88	357.61	5.05	-68.83
COC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1	REAL300013815614	1	56	0.0	-68.56	418.22	5.83	-62.73
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013815615	1	49	0.0	-75.84	373.37	5.87	-69.97
CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013815616	1	50	0.0	-78.94	388.12	5.58	-73.36
CC(CCC(=O)[O-])NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	REAL300013815617	1	51	0.0	-70.76	392.15	5.32	-65.44
O=C([O-])C1CCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC(Cl)=C2)CC1	REAL300013815618	1	55	0.0	-75.40	416.01	10.79	-64.61
O=C([O-])C1CCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC(Cl)=C2)CC1	REAL300013815618	1	55	0.0	-74.22	416.11	10.84	-63.38
O=C([O-])C1CN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC(Cl)=C2)CCO1	REAL300013815619	1	53	0.0	-61.38	403.11	9.24	-52.14
O=C([O-])C1CN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC(Cl)=C2)CCO1	REAL300013815619	1	53	0.0	-65.03	407.69	9.23	-55.80
O=C([O-])CCCCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1	REAL300013815620	0	54	0.0	-76.61	422.68	9.07	-67.54
O=C([O-])CCCCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1	REAL300013815620	1	54	0.0	-75.89	426.74	9.77	-66.12
O=C([O-])CCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1	REAL300013815621	0	48	0.0	-72.79	379.68	7.50	-65.29
O=C([O-])CCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1	REAL300013815621	1	48	0.0	-71.24	383.75	8.20	-63.04
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1	REAL300013815622	0	57	0.0	-75.85	444.18	9.85	-66.00
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1	REAL300013815622	1	57	0.0	-74.81	448.24	10.55	-64.26
CC(C)(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013815623	0	54	0.0	-75.38	414.16	8.91	-66.47
CC(C)(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013815623	1	54	0.0	-75.21	419.18	9.66	-65.55
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815624	1	55	0.0	-76.07	423.64	11.15	-64.92
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815624	1	55	0.0	-76.14	414.10	10.43	-65.71
O=C([O-])CCCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1	REAL300013815625	0	51	0.0	-71.31	401.18	8.28	-63.03
O=C([O-])CCCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1	REAL300013815625	1	51	0.0	-69.65	405.25	8.99	-60.66
CC(C)(CCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013815626	0	57	0.0	-72.57	433.88	9.16	-63.41
CC(C)(CCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013815626	1	57	0.0	-73.46	433.96	9.17	-64.29
CC(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013815627	0	51	0.0	-73.71	398.66	8.24	-65.47
CC(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013815627	1	51	0.0	-75.66	397.72	8.24	-67.42
CC(C)C(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013815628	0	57	0.0	-66.18	436.58	9.40	-56.78
CC(C)C(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013815628	1	57	0.0	-61.21	435.78	10.25	-50.96
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815629	0	55	0.0	-69.72	426.61	10.25	-59.47
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815629	1	55	0.0	-69.02	422.59	9.54	-59.48
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC(Cl)=C2)CCC1	REAL300013815630	0	55	0.0	-64.20	425.79	10.33	-53.87
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+]2CC2=CC=CC(Cl)=C2)CCC1	REAL300013815630	1	55	0.0	-61.40	420.86	9.63	-51.77
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815631	0	52	0.0	-71.82	406.28	8.81	-63.01
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815631	1	52	0.0	-73.26	405.79	8.84	-64.42
O=C([O-])[C@@H]1CCCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815632	1	55	0.0	-61.32	414.81	10.73	-50.59
O=C([O-])[C@@H]1CCCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815632	1	55	0.0	-80.16	419.89	11.46	-68.70
O=C([O-])[C@H]1CCCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815633	1	55	0.0	-80.00	415.24	10.76	-69.24
O=C([O-])[C@H]1CCCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815633	1	55	0.0	-78.79	416.31	10.79	-68.00
O=C([O-])C1CC(NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815634	0	52	0.0	-73.69	401.10	8.92	-64.77
O=C([O-])C1CC(NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815634	1	52	0.0	-69.68	410.72	9.56	-60.12
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815635	0	52	0.0	-74.17	401.58	8.93	-65.24
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815635	1	52	0.0	-72.57	410.21	9.61	-62.96
CCC(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013815636	0	54	0.0	-63.63	419.80	8.91	-54.72
CCC(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013815636	1	54	0.0	-60.95	424.25	9.66	-51.29
CN(CCCC(=O)[O-])C(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1	REAL300013815637	1	54	0.0	-74.46	418.54	10.69	-63.77
CN(CCCC(=O)[O-])C(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1	REAL300013815637	1	54	0.0	-77.92	418.30	10.67	-67.25
O=C([O-])C12CC(NC(=O)NCC3CCCC[N@@H+]3CC3=CC=CC(Cl)=C3)(C1)C2	REAL300013815638	0	53	0.0	-77.97	415.93	9.05	-68.92
O=C([O-])C12CC(NC(=O)NCC3CCCC[N@H+]3CC3=CC=CC(Cl)=C3)(C1)C2	REAL300013815638	1	53	0.0	-77.13	420.35	9.76	-67.37
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1)C2	REAL300013815639	0	53	0.0	-71.38	421.92	10.28	-61.10
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1)C2	REAL300013815639	1	53	0.0	-75.31	421.88	10.28	-65.03
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC(Cl)=C2)CC1	REAL300013815640	0	52	0.0	-58.66	401.92	9.25	-49.41
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+]2CC2=CC=CC(Cl)=C2)CC1	REAL300013815640	1	52	0.0	-55.79	410.78	9.92	-45.87
O=C([O-])C1CN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815641	1	49	0.0	-66.13	382.49	9.09	-57.04
O=C([O-])C1CN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815641	1	49	0.0	-64.76	391.16	9.83	-54.93
O=C([O-])C1CCN(C(=O)NCC2CCCC[N@@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815642	1	52	0.0	-76.09	406.32	10.53	-65.56
O=C([O-])C1CCN(C(=O)NCC2CCCC[N@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013815642	1	52	0.0	-76.14	401.94	9.87	-66.27
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1)C2	REAL300013815643	0	53	0.0	-77.75	416.61	9.55	-68.20
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CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013816530	0	60	0.0	-61.18	413.45	10.13	-51.05
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013816530	1	60	0.0	-61.55	406.06	10.09	-51.46
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013816531	0	61	0.0	-69.90	430.05	9.55	-60.35
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013816531	1	61	0.0	-71.39	422.68	9.50	-61.89
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013816532	0	60	0.0	-65.56	413.96	8.73	-56.83
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013816532	1	60	0.0	-67.22	421.27	8.78	-58.44
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CCC1CCC[N@H+](C(C)(C)CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013816533	1	60	0.0	-66.99	414.31	8.75	-58.24
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CCC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013816535	0	58	0.0	-53.36	408.02	6.65	-46.71
CCC1CCC[N@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013816535	1	58	0.0	-58.22	403.57	6.45	-51.77
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013816536	0	55	0.0	-65.87	397.86	8.28	-57.59
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013816536	1	55	0.0	-65.53	390.83	8.24	-57.29
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CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013816538	0	61	0.0	-55.96	414.34	10.15	-45.81
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013816538	1	61	0.0	-59.02	417.33	10.25	-48.77
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CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013816539	1	57	0.0	-58.50	414.95	9.27	-49.23
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013816540	0	58	0.0	-74.32	403.57	8.74	-65.58
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013816540	1	58	0.0	-74.24	403.27	8.70	-65.54
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])C2)C1	REAL300013816541	0	51	0.0	-59.91	367.49	7.74	-52.17
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CC(C(=O)[O-])C2)C1	REAL300013816541	1	51	0.0	-59.77	359.88	7.83	-51.94
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CC(OC)CC(C(=O)[O-])C2)C1	REAL300013816542	0	61	0.0	-53.73	421.67	8.44	-45.29
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CCC1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013816543	0	54	0.0	-68.56	375.00	8.51	-60.05
CCC1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013816543	1	54	0.0	-68.50	375.02	8.52	-59.98
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CC[N@H+]1CCCCC1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013816576	1	51	0.0	-65.97	359.75	7.01	-58.96
CC[N@@H+]1CCCCC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013816577	0	48	0.0	-69.39	367.33	7.62	-61.77
CC[N@H+]1CCCCC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013816577	1	48	0.0	-72.99	367.34	7.62	-65.37
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013816578	0	58	0.0	-68.43	415.79	11.11	-57.32
CC[N@H+]1CCCCC1CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013816578	1	58	0.0	-76.12	416.86	10.80	-65.32
CC[N@@H+]1CCCCC1CNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013816579	0	51	0.0	-76.26	360.28	8.86	-67.40
CC[N@H+]1CCCCC1CNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013816579	1	51	0.0	-57.74	361.01	7.92	-49.82
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013816580	0	51	0.0	-67.49	356.90	8.32	-59.17
CC[N@H+]1CCCCC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013816580	1	51	0.0	-71.39	352.42	7.61	-63.78
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013816581	0	51	0.0	-76.50	358.85	7.89	-68.61
CC[N@H+]1CCCCC1CNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013816581	1	51	0.0	-57.13	350.63	7.53	-49.60
CC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013816582	0	52	0.0	-55.50	369.65	5.70	-49.80
CC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013816582	1	52	0.0	-62.72	365.65	5.00	-57.72
CC[N@@H+]1CCCCC1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013816583	0	53	0.0	-57.40	370.45	7.38	-50.02
CC[N@H+]1CCCCC1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013816583	1	53	0.0	-61.45	371.17	6.54	-54.91
CC[N@@H+]1CCCCC1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013816584	0	57	0.0	-74.68	400.80	7.74	-66.94
CC[N@H+]1CCCCC1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013816584	1	57	0.0	-71.27	403.11	8.24	-63.03
CC[N@@H+]1CCCCC1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013816585	0	54	0.0	-58.92	396.50	8.86	-50.06
CC[N@H+]1CCCCC1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013816585	1	54	0.0	-63.55	393.98	8.15	-55.40
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013816586	0	54	0.0	-73.53	384.13	9.47	-64.06
CC[N@H+]1CCCCC1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013816586	1	54	0.0	-71.46	380.07	8.79	-62.67
CC[N@@H+]1CCCCC1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013816587	0	50	0.0	-69.28	360.77	6.30	-62.98
CC[N@H+]1CCCCC1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013816587	1	50	0.0	-69.31	357.02	5.48	-63.83
CC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013816588	0	51	0.0	-58.14	364.65	7.62	-50.52
CC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013816588	1	51	0.0	-62.61	364.08	6.90	-55.71
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013816589	0	51	0.0	-70.21	363.90	8.61	-61.60
CC[N@H+]1CCCCC1CNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013816589	1	51	0.0	-68.39	354.95	7.74	-60.65
CC[N@@H+]1CCCCC1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013816590	0	51	0.0	-61.35	368.37	7.05	-54.30
CC[N@H+]1CCCCC1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013816590	1	51	0.0	-64.61	369.16	6.86	-57.75
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013816591	0	51	0.0	-67.49	356.90	8.32	-59.17
CC[N@H+]1CCCCC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013816591	1	51	0.0	-71.39	352.42	7.61	-63.78
CC[N@@H+]1CCCCC1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013816592	0	56	0.0	-66.91	390.85	7.39	-59.52
CC[N@H+]1CCCCC1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013816592	1	56	0.0	-66.30	391.47	7.24	-59.06
CC[N@@H+]1CCCCC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013816593	0	48	0.0	-59.91	355.71	7.22	-52.69
CC[N@H+]1CCCCC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013816593	1	48	0.0	-67.90	356.93	7.07	-60.83
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013816594	0	52	0.0	-75.28	378.99	7.26	-68.02
CC[N@H+]1CCCCC1CNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013816594	1	52	0.0	-71.64	376.82	6.01	-65.63
CC[N@@H+]1CCCCC1CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013816595	0	53	0.0	-71.05	382.72	5.15	-65.90
CC[N@H+]1CCCCC1CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013816595	1	53	0.0	-73.20	378.61	4.45	-68.75
CC[N@@H+]1CCCCC1CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013816596	0	58	0.0	-77.08	421.63	8.79	-68.29
CC[N@H+]1CCCCC1CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013816596	1	58	0.0	-73.13	417.75	8.68	-64.45
CC[N@@H+]1CCCCC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013816597	0	48	0.0	-69.39	367.33	7.62	-61.77
CC[N@H+]1CCCCC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013816597	1	48	0.0	-72.99	367.34	7.62	-65.37
CC[N@@H+]1CCCCC1CNC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013816598	0	58	0.0	-63.11	422.66	8.98	-54.13
CC[N@H+]1CCCCC1CNC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013816598	1	58	0.0	-64.61	417.57	8.59	-56.02
CC[N@@H+]1CCCCC1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013816599	0	54	0.0	-76.27	373.18	8.72	-67.55
CC[N@H+]1CCCCC1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013816599	1	54	0.0	-75.65	373.58	8.70	-66.95
CC[N@@H+]1CCCCC1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013816600	0	56	0.0	-73.10	410.33	8.13	-64.97
CC[N@H+]1CCCCC1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013816600	1	56	0.0	-73.81	411.57	7.98	-65.83
CC[N@@H+]1CCCCC1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013816601	0	53	0.0	-74.11	388.83	7.35	-66.76
CC[N@H+]1CCCCC1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013816601	1	53	0.0	-74.62	390.07	7.20	-67.42
CC[N@@H+]1CCCCC1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013816602	0	51	0.0	-76.46	355.35	8.11	-68.35
CC[N@H+]1CCCCC1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013816602	1	51	0.0	-75.66	354.36	8.05	-67.61
CC[N@@H+]1CCCCC1CNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013816603	0	55	0.0	-80.44	391.46	7.93	-72.51
CC[N@H+]1CCCCC1CNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013816603	1	55	0.0	-80.07	386.70	7.21	-72.86
CC[N@@H+]1CCCCC1CNC(=O)N(CCOC)CCC(=O)[O-]	REAL300013816604	0	51	0.0	-50.17	378.87	7.29	-42.88
CC[N@H+]1CCCCC1CNC(=O)N(CCOC)CCC(=O)[O-]	REAL300013816604	1	51	0.0	-54.97	374.89	6.97	-48.00
CC[N@@H+]1CCCCC1CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013816605	0	57	0.0	-76.90	416.60	9.50	-67.40
CC[N@H+]1CCCCC1CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013816605	1	57	0.0	-76.83	411.71	9.12	-67.71
CC[N@@H+]1CCCCC1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013816606	0	54	0.0	-75.18	384.50	9.46	-65.72
CC[N@H+]1CCCCC1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013816606	1	54	0.0	-74.65	379.82	8.73	-65.92
CC[N@@H+]1CCCCC1CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013816607	0	52	0.0	-75.57	380.54	10.17	-65.40
CC[N@H+]1CCCCC1CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013816607	1	52	0.0	-70.89	372.87	9.84	-61.05
CC[N@@H+]1CCCCC1CNC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013816608	0	59	0.0	-67.05	421.38	7.74	-59.31
CC[N@H+]1CCCCC1CNC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013816608	1	59	0.0	-66.39	424.82	6.74	-59.65
CC[N@@H+]1CCCCC1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013816609	0	49	0.0	-63.29	356.47	6.74	-56.55
CC[N@H+]1CCCCC1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013816609	1	49	0.0	-69.13	351.93	6.05	-63.08
CC[N@@H+]1CCCCC1CNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013816610	0	51	0.0	-59.19	356.48	7.98	-51.21
CC[N@H+]1CCCCC1CNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013816610	1	51	0.0	-56.74	353.73	7.90	-48.84
CC[N@@H+]1CCCCC1CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013816611	0	55	0.0	-63.99	402.66	9.95	-54.04
CC[N@H+]1CCCCC1CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013816611	1	55	0.0	-65.64	402.56	9.94	-55.70
CC[N@@H+]1CCCCC1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013816612	0	49	0.0	-71.96	353.80	5.60	-66.36
CC[N@H+]1CCCCC1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013816612	1	49	0.0	-71.90	349.17	4.89	-67.01
CC[N@@H+]1CCCCC1CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013816613	0	52	0.0	-67.47	385.52	8.64	-58.83
CC[N@H+]1CCCCC1CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013816613	1	52	0.0	-68.63	387.40	8.81	-59.82
CC[N@@H+]1CCCCC1CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013816614	0	55	0.0	-77.37	393.98	6.25	-71.12
CC[N@H+]1CCCCC1CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013816614	1	55	0.0	-77.56	391.22	7.15	-70.41
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013816615	0	55	0.0	-72.39	388.97	7.46	-64.93
CC[N@H+]1CCCCC1CNC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013816615	1	55	0.0	-74.53	384.46	6.74	-67.79
CC[N@@H+]1CCCCC1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013816616	0	57	0.0	-61.99	390.77	8.30	-53.69
CC[N@H+]1CCCCC1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013816616	1	57	0.0	-63.47	390.77	8.30	-55.17
CC[N@@H+]1CCCCC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013816617	0	51	0.0	-66.18	361.58	7.10	-59.08
CC[N@H+]1CCCCC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013816617	1	51	0.0	-62.82	359.00	7.20	-55.62
CC[N@@H+]1CCCCC1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013816618	0	54	0.0	-72.93	383.93	7.32	-65.61
CC[N@H+]1CCCCC1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013816618	1	54	0.0	-73.67	385.30	7.36	-66.31
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013816619	0	51	0.0	-72.41	361.82	8.70	-63.71
CC[N@H+]1CCCCC1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013816619	1	51	0.0	-65.37	357.76	8.02	-57.35
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013816620	0	52	0.0	-72.57	378.39	8.12	-64.45
CC[N@H+]1CCCCC1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013816620	1	52	0.0	-73.24	374.36	7.44	-65.80
CC[N@@H+]1CCCCC1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013816621	0	51	0.0	-68.52	364.97	6.63	-61.89
CC[N@H+]1CCCCC1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013816621	1	51	0.0	-68.44	370.06	7.36	-61.08
CC[N@@H+]1CCCCC1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013816622	0	51	0.0	-65.05	365.53	7.75	-57.30
CC[N@H+]1CCCCC1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013816622	1	51	0.0	-67.87	364.20	6.79	-61.08
CC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013816623	0	52	0.0	-53.66	371.90	5.89	-47.77
CC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013816623	1	52	0.0	-57.07	371.91	5.90	-51.17
CC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013816624	0	49	0.0	-58.50	356.71	4.86	-53.64
CC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013816624	1	49	0.0	-54.86	356.71	4.86	-50.00
CC[N@@H+]1CCCCC1CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013816625	0	60	0.0	-72.43	442.54	10.01	-62.42
CC[N@H+]1CCCCC1CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013816625	1	60	0.0	-73.86	438.60	9.34	-64.52
CC[N@@H+]1CCCCC1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013816626	0	52	0.0	-57.98	366.60	8.27	-49.71
CC[N@H+]1CCCCC1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013816626	1	52	0.0	-61.26	365.59	8.05	-53.21
CC[N@@H+]1CCCCC1CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013816627	0	48	0.0	-64.52	360.00	7.22	-57.30
CC[N@H+]1CCCCC1CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013816627	1	48	0.0	-64.12	359.06	7.16	-56.96
CC[N@@H+]1CCCCC1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013816628	0	49	0.0	-75.90	351.96	7.26	-68.64
CC[N@H+]1CCCCC1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013816628	1	49	0.0	-76.05	347.32	6.53	-69.52
CC[N@@H+]1CCCCC1CNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013816629	0	52	0.0	-77.36	371.96	7.04	-70.32
CC[N@H+]1CCCCC1CNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013816629	1	52	0.0	-59.59	371.45	6.49	-53.10
CC[N@@H+]1CCCCC1CNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013816630	0	57	0.0	-83.49	422.65	6.59	-76.90
CC[N@H+]1CCCCC1CNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013816630	1	57	0.0	-77.32	418.13	5.88	-71.44
C=CCOC1=CC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013816714	1	50	0.0	-36.78	396.33	7.13	-29.65
CC1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013816778	1	47	0.0	-44.60	371.09	5.87	-38.73
CCOC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C	REAL300013816845	1	52	0.0	-36.64	404.18	7.20	-29.44
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC(F)(F)CC2)CC1	REAL300013816908	1	45	0.0	-37.02	346.60	6.08	-30.94
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCN(CC3=CC=CC=C3)C2=O)CC1	REAL300013816975	1	56	0.0	-44.82	429.35	7.94	-36.88
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=C(F)C=C3F)CC2)CC1	REAL300013817042	1	49	0.0	-42.31	392.66	8.40	-33.91
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCN(C3=CC=CC=C3F)C2=O)CC1	REAL300013817115	1	53	0.0	-46.75	417.17	7.64	-39.11
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3SCCSC23)CC1	REAL300013817182	1	48	0.0	-36.17	380.29	7.39	-28.78
O=C([O-])C[NH+]1CCC(NC(=O)NCCC(=O)N2CCCCC2)CC1	REAL300013817253	1	52	0.0	-49.56	392.05	5.56	-44.00
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCN(C3=CC=CC=C3F)C2)CC1	REAL300013817325	1	54	0.0	-44.13	414.33	7.19	-36.94
CC(C)C1=CC=C2CCC[C@H](NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=C1	REAL300013817398	1	58	0.0	-35.25	432.11	10.28	-24.97
COC1=CC=C(CC(C)CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1OC	REAL300013817470	1	59	0.0	-40.87	449.70	7.59	-33.28
C[N@@H+]1CCC(CNC(=O)N2CCC(C(=O)[O-])CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817505	0	52	0.0	-83.93	396.56	9.38	-74.55
C[N@H+]1CCC(CNC(=O)N2CCC(C(=O)[O-])CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817505	1	52	0.0	-86.82	395.11	9.29	-77.53
C[N@@H+]1CCC(CNC(=O)N2CCOC(C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817506	0	50	0.0	-72.63	401.03	8.67	-63.96
C[N@H+]1CCC(CNC(=O)N2CCOC(C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817506	1	50	0.0	-72.33	400.95	8.70	-63.63
C[N@@H+]1CCC(CNC(=O)NCCCCC(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013817507	0	51	0.0	-87.77	402.86	7.64	-80.13
C[N@H+]1CCC(CNC(=O)NCCCCC(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013817507	1	51	0.0	-80.85	422.03	8.96	-71.89
C[N@@H+]1CCC(CNC(=O)NCCC(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013817508	0	45	0.0	-84.90	359.86	6.06	-78.84
C[N@H+]1CCC(CNC(=O)NCCC(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013817508	1	45	0.0	-77.41	379.04	7.39	-70.02
C[N@@H+]1CCC(CNC(=O)NCCCCCC(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013817509	0	54	0.0	-81.20	444.43	9.67	-71.53
C[N@H+]1CCC(CNC(=O)NCCCCCC(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013817509	1	54	0.0	-80.17	443.53	9.74	-70.43
C[N@@H+]1CCC(CNC(=O)NCC(C)(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013817510	0	51	0.0	-82.05	414.79	8.78	-73.27
C[N@H+]1CCC(CNC(=O)NCC(C)(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013817510	1	51	0.0	-80.46	413.89	8.86	-71.60
C[N@@H+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817511	0	52	0.0	-86.17	412.72	9.90	-76.27
C[N@H+]1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817511	1	52	0.0	-90.50	412.16	9.87	-80.63
C[N@@H+]1CCC(CNC(=O)NCCCC(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013817512	0	48	0.0	-76.99	401.44	8.11	-68.88
C[N@H+]1CCC(CNC(=O)NCCCC(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013817512	1	48	0.0	-76.02	400.54	8.17	-67.85
C[N@@H+]1CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013817513	0	54	0.0	-78.19	434.14	8.99	-69.20
C[N@H+]1CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013817513	1	54	0.0	-77.17	433.82	9.07	-68.10
CC(CNC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013817514	0	48	0.0	-78.61	398.22	8.19	-70.42
CC(CNC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013817514	1	48	0.0	-80.17	398.48	8.07	-72.10
CC(C)C(CNC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013817515	0	54	0.0	-70.17	431.09	9.43	-60.74
CC(C)C(CNC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013817515	1	54	0.0	-75.85	417.15	8.01	-67.84
C[N@@H+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817516	0	52	0.0	-81.50	415.64	9.00	-72.50
C[N@H+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817516	1	52	0.0	-76.28	414.67	8.62	-67.66
C[N@@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCC2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817517	0	52	0.0	-70.51	421.92	9.47	-61.04
C[N@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCC2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817517	1	52	0.0	-67.21	421.08	9.53	-57.68
C[N@@H+]1CCC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817518	0	49	0.0	-81.77	386.45	7.41	-74.36
C[N@H+]1CCC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817518	1	49	0.0	-82.75	386.54	7.38	-75.37
C[N@@H+]1CCC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817519	0	52	0.0	-67.50	407.27	9.81	-57.69
C[N@H+]1CCC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817519	1	52	0.0	-69.05	407.04	9.85	-59.20
C[N@@H+]1CCC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817520	0	52	0.0	-91.14	395.77	9.33	-81.81
C[N@H+]1CCC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817520	1	52	0.0	-70.86	415.73	10.68	-60.18
C[N@@H+]1CCC(CNC(=O)NC2CC(C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817521	0	49	0.0	-82.86	386.89	7.42	-75.44
C[N@H+]1CCC(CNC(=O)NC2CC(C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817521	1	49	0.0	-76.11	405.99	8.74	-67.37
C[N@@H+]1CCC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817522	0	49	0.0	-82.46	406.92	8.68	-73.78
C[N@H+]1CCC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817522	1	49	0.0	-83.93	399.61	8.37	-75.56
CCC(CNC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013817523	0	51	0.0	-67.63	414.56	9.05	-58.58
CCC(CNC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013817523	1	51	0.0	-68.15	415.42	8.88	-59.27
CN(CCCC(=O)[O-])C(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300013817524	0	51	0.0	-78.36	418.16	10.56	-67.80
CN(CCCC(=O)[O-])C(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300013817524	1	51	0.0	-86.60	398.72	9.23	-77.37
C[N@@H+]1CCC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1C1=CC=C(Cl)C(F)=C1	REAL300013817525	0	50	0.0	-82.47	415.36	9.00	-73.47
C[N@H+]1CCC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1C1=CC=C(Cl)C(F)=C1	REAL300013817525	1	50	0.0	-85.47	408.53	8.14	-77.33
C[N@@H+]1CCC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1C1=CC=C(Cl)C(F)=C1	REAL300013817526	0	50	0.0	-81.28	411.15	9.07	-72.21
C[N@H+]1CCC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1C1=CC=C(Cl)C(F)=C1	REAL300013817526	1	50	0.0	-84.51	398.10	8.10	-76.41
C[N@@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817527	0	49	0.0	-68.86	407.08	9.05	-59.81
C[N@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CC2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817527	1	49	0.0	-66.02	405.82	9.01	-57.01
C[N@@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817528	0	46	0.0	-77.81	380.44	8.55	-69.26
C[N@H+]1CCC(CNC(=O)N2CC(C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817528	1	46	0.0	-80.84	367.06	7.59	-73.25
C[N@@H+]1CCC(CNC(=O)N2CCC(C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817529	0	49	0.0	-86.13	395.06	9.30	-76.83
C[N@H+]1CCC(CNC(=O)N2CCC(C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013817529	1	49	0.0	-82.01	394.21	8.94	-73.07
C[N@@H+]1CCC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1C1=CC=C(Cl)C(F)=C1	REAL300013817530	0	50	0.0	-89.22	397.62	8.12	-81.10
C[N@H+]1CCC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1C1=CC=C(Cl)C(F)=C1	REAL300013817530	1	50	0.0	-89.56	397.50	8.11	-81.45
CC(CCC(=O)[O-])NC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300013817531	0	51	0.0	-75.16	420.29	9.19	-65.97
CC(CCC(=O)[O-])NC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1	REAL300013817531	1	51	0.0	-78.79	401.12	7.86	-70.93
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC(C(=O)[O-])CC2)=CC=N1	REAL300013817532	0	51	0.0	-72.64	397.22	6.04	-66.60
C[NH+](C)CCOC1=CC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CC=N1	REAL300013817533	0	51	0.0	-74.57	421.40	5.65	-68.92
C[NH+](C)CCOC1=CC(CNC(=O)N2CCOC(C(=O)[O-])C2)=CC=N1	REAL300013817534	0	49	0.0	-60.81	390.38	4.50	-56.31
C[NH+](C)CCOC1=CC(CNC(=O)NC2CCC(C(=O)[O-])CC2)=CC=N1	REAL300013817535	0	54	0.0	-69.11	419.61	5.78	-63.33
C[NH+](C)CCOC1=CC(CNC(=O)NCCCCC(=O)[O-])=CC=N1	REAL300013817536	0	50	0.0	-74.78	405.13	4.34	-70.44
C[NH+](C)CCOC1=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=N1	REAL300013817537	0	51	0.0	-73.11	421.41	5.64	-67.47
C[NH+](C)CCOC1=CC(CNC(=O)NCCC(=O)[O-])=CC=N1	REAL300013817538	0	44	0.0	-71.93	362.14	2.75	-69.18
C[NH+](C)CCOC1=CC(CNC(=O)NCCCCCC(=O)[O-])=CC=N1	REAL300013817539	0	53	0.0	-73.24	426.63	5.12	-68.12
C[NH+](C)CCOC1=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=CC=N1	REAL300013817540	0	50	0.0	-74.76	397.00	4.22	-70.54
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)=CC=N1	REAL300013817541	0	51	0.0	-78.84	401.63	5.68	-73.16
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C1	REAL300013817542	0	54	0.0	-62.47	413.81	6.86	-55.61
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=CC=N1	REAL300013817543	0	54	0.0	-70.16	410.85	6.35	-63.81
C[NH+](C)CCOC1=CC(CNC(=O)NCCCC(=O)[O-])=CC=N1	REAL300013817544	0	47	0.0	-69.24	383.64	3.55	-65.69
CC1CCN(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)CC1C(=O)[O-]	REAL300013817545	0	54	0.0	-58.05	407.83	6.28	-51.77
C[NH+](C)CCOC1=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=CC=N1	REAL300013817546	0	55	0.0	-61.67	424.72	3.53	-58.14
C[NH+](C)CCOC1=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=CC=N1	REAL300013817547	0	53	0.0	-70.06	416.33	4.43	-65.63
CCC(CC)(CNC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013817548	0	56	0.0	-65.25	424.53	5.39	-59.86
CC(CNC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013817549	0	47	0.0	-72.70	379.81	3.48	-69.22
CC(C)C(CNC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013817550	0	53	0.0	-65.55	414.18	4.80	-60.75
CC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013817551	0	60	0.0	-75.85	459.60	6.60	-69.25
C[NH+](C)CCOC1=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=N1	REAL300013817552	0	51	0.0	-67.91	405.06	4.80	-63.11
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)=CC=N1	REAL300013817553	0	57	0.0	-73.91	438.07	7.53	-66.38
C[NH+](C)CCOC1=CC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=CC=N1	REAL300013817554	0	53	0.0	-72.96	415.64	4.20	-68.76
C[NH+](C)CCOC1=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=CC=N1	REAL300013817555	0	54	0.0	-63.60	422.09	5.61	-57.99
CC1CN(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)CCC1C(=O)[O-]	REAL300013817556	0	54	0.0	-68.66	410.66	6.78	-61.88
C[NH+](C)CCOC1=CC(CNC(=O)NCC2(C(=O)[O-])CCC2)=CC=N1	REAL300013817557	0	51	0.0	-61.97	405.01	4.76	-57.21
C[NH+](C)CCOC1=CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)=CC=N1	REAL300013817558	0	54	0.0	-75.83	429.14	5.53	-70.30
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=CC=N1	REAL300013817559	0	54	0.0	-70.16	410.85	6.35	-63.81
CC(C)C[C@H](CNC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)CC(=O)[O-]	REAL300013817560	0	59	0.0	-74.15	450.14	5.98	-68.17
C[NH+](C)CCOC1=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=CC=N1	REAL300013817561	0	51	0.0	-69.36	415.02	5.75	-63.61
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C1	REAL300013817562	0	55	0.0	-74.84	435.35	4.73	-70.11
C[NH+](C)CCOC1=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=N1	REAL300013817563	0	48	0.0	-70.72	389.07	4.12	-66.60
C[NH+](C)CCOC1=CC(CNC(=O)NC2CCN(CC(=O)[O-])CC2)=CC=N1	REAL300013817564	0	56	0.0	-71.84	437.13	3.23	-68.61
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=N1	REAL300013817565	0	51	0.0	-58.22	397.52	6.03	-52.19
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=N1	REAL300013817566	0	51	0.0	-76.51	398.13	6.05	-70.46
C[NH+](C)CCOC1=CC(CNC(=O)NC2CC(C(=O)[O-])C2)=CC=N1	REAL300013817567	0	48	0.0	-70.88	389.11	4.11	-66.77
C[NH+](C)CCOC1=CC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=N1	REAL300013817568	0	48	0.0	-71.98	389.01	4.17	-67.81
C[NH+](C)CCOC1=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=N1	REAL300013817569	0	51	0.0	-73.11	421.41	5.64	-67.47
CCC(CNC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013817570	0	50	0.0	-65.28	397.63	4.32	-60.96
C[NH+](C)CCOC1=CC(CNC(=O)N2CCCCC2CCC(=O)[O-])=CC=N1	REAL300013817571	0	57	0.0	-82.24	431.48	7.42	-74.82
C[NH+](C)CCOC1=CC(CNC(=O)NCCCCCCCC(=O)[O-])=CC=N1	REAL300013817572	0	59	0.0	-75.30	469.63	6.68	-68.62
C[NH+](C)CCOC1=CC(CNC(=O)NCCCCCCC(=O)[O-])=CC=N1	REAL300013817573	0	56	0.0	-76.39	448.13	5.90	-70.49
CN(CCCC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300013817574	0	50	0.0	-77.04	401.26	5.95	-71.09
C[NH+](C)CCOC1=CC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=N1	REAL300013817575	0	54	0.0	-76.84	412.87	6.82	-70.02
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C1	REAL300013817576	0	58	0.0	-81.10	445.09	5.96	-75.14
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300013817577	0	54	0.0	-57.17	432.95	5.31	-51.86
C[NH+](C)CCOC1=CC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)=CC=N1	REAL300013817578	0	57	0.0	-77.48	438.39	7.49	-69.99
C[NH+](C)CCOC1=CC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=CC=N1	REAL300013817579	0	55	0.0	-83.52	430.78	8.79	-74.73
C[NH+](C)CCOC1=CC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)=CC=N1	REAL300013817580	0	52	0.0	-67.22	410.65	4.80	-62.42
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300013817581	0	54	0.0	-62.69	413.54	6.60	-56.09
C[NH+](C)CCOC1=CC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)=CC=N1	REAL300013817582	0	52	0.0	-75.08	407.68	3.61	-71.47
C[NH+](C)CCOC1=CC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=CC=N1	REAL300013817583	0	55	0.0	-72.64	444.08	6.89	-65.75
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)CC1	REAL300013817584	0	58	0.0	-72.53	442.92	5.45	-67.08
C[NH+](C)CCOC1=CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=N1	REAL300013817585	0	49	0.0	-76.26	398.85	4.33	-71.93
C[NH+](C)CCOC1=CC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)=CC=N1	REAL300013817586	0	60	0.0	-69.74	444.80	6.33	-63.41
C[NH+](C)CCOC1=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=CC=N1	REAL300013817587	0	54	0.0	-69.89	418.28	5.73	-64.16
C[NH+](C)CCOC1=CC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=CC=N1	REAL300013817588	0	57	0.0	-73.66	442.46	6.03	-67.63
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC(CC(=O)[O-])CC2)=CC=N1	REAL300013817589	0	54	0.0	-67.83	415.76	6.75	-61.08
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)=CC=N1	REAL300013817590	0	55	0.0	-76.25	432.38	6.11	-70.14
C[NH+](C)CCOC1=CC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=N1	REAL300013817591	0	54	0.0	-69.84	423.50	5.34	-64.50
C[NH+](C)CCOC1=CC(CNC(=O)NC2CCCC(C(=O)[O-])C2)=CC=N1	REAL300013817592	0	54	0.0	-71.70	423.51	5.33	-66.37
C[NH+](C)CCOC1=CC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)=CC=N1	REAL300013817593	0	55	0.0	-69.72	428.67	4.17	-65.55
C[NH+](C)CCOC1=CC(CNC(=O)NCC2(C(=O)[O-])CCOC2)=CC=N1	REAL300013817594	0	52	0.0	-65.75	410.78	2.89	-62.86
C[NH+](C)CCOC1=CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=N1	REAL300013817595	0	49	0.0	-69.08	400.25	4.84	-64.24
C[NH+](C)CCOC1=CC(CNC(=O)NCC2(C(=O)[O-])CC2)=CC=N1	REAL300013817596	0	48	0.0	-60.98	389.28	4.50	-56.48
C[NH+](C)CCOC1=CC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=CC=N1	REAL300013817597	0	55	0.0	-64.74	427.11	6.87	-57.87
C[NH+](C)CCOC1=CC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)=CC=N1	REAL300013817598	0	52	0.0	-76.86	405.94	5.30	-71.56
C[NH+](C)CCOC1=CC(CNC(=O)N2CC(C(=O)[O-])C2)=CC=N1	REAL300013817599	0	45	0.0	-65.74	369.88	4.33	-61.41
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=NC(OCC[NH+](C)C)=C2)C1	REAL300013817600	0	55	0.0	-63.99	429.92	5.17	-58.82
C[NH+](C)CCOC1=CC(CNC(=O)N2CCC(C(=O)[O-])C2)=CC=N1	REAL300013817601	0	48	0.0	-72.31	384.76	5.12	-67.19
C[NH+](C)CCOC1=CC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=N1	REAL300013817602	0	49	0.0	-75.60	399.88	4.85	-70.75
CC(CCC(=O)[O-])NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1	REAL300013817603	0	50	0.0	-66.25	403.40	4.56	-61.69
CC(C)C1=CC=C2CCC[C@@H](NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=C1	REAL300013817637	1	58	0.0	-35.27	432.11	10.29	-24.98
COC1=CC=CC=C1OCC(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013817710	1	56	0.0	-39.79	432.00	7.32	-32.47
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=CC=C3Cl)CC2)CC1	REAL300013817797	1	49	0.0	-36.09	395.60	8.82	-27.27
CC(C)(C)C1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCO1	REAL300013817963	1	55	0.0	-35.61	397.01	6.50	-29.11
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CN=C2OCC(F)F)CC1	REAL300013818038	1	48	0.0	-41.01	393.64	4.24	-36.77
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(C3=CC=C(Cl)C(F)=C3)C2)CC1	REAL300013818111	1	51	0.0	-41.19	410.87	6.76	-34.43
O=C([O-])C[NH+]1CCC(NC(=O)NCC2C3CC4CC(C3)CC2C4)CC1	REAL300013818177	1	56	0.0	-35.00	388.78	8.12	-26.88
CC1=CC=CC(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=CC=N2)=C1	REAL300013818252	1	54	0.0	-39.09	422.38	9.01	-30.08
CC(C)(C)C1=NC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CS1	REAL300013818322	1	53	0.0	-43.08	421.00	6.53	-36.55
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=NC3=C(CCCC3)S2)CC1	REAL300013818396	1	51	0.0	-43.44	402.78	6.74	-36.70
CNC(=O)C1CCCC1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013818505	1	49	0.0	-38.20	371.48	3.76	-34.44
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CCCCC1	REAL300013818568	1	57	0.0	-35.18	400.03	8.21	-26.97
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=CC(F)=C2)C2=CC=CC=N2)CC1	REAL300013818639	1	51	0.0	-40.77	407.38	8.41	-32.36
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=C(F)C=C3Cl)CC2)CC1	REAL300013818707	1	49	0.0	-41.26	399.72	8.70	-32.56
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3CCCCC3)CCCCC2)CC1	REAL300013818777	1	64	0.0	-39.05	431.31	10.79	-28.26
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C(F)=C1	REAL300013818928	1	45	0.0	-37.24	373.21	7.69	-29.55
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC(F)=C1F	REAL300013819005	1	45	0.0	-41.21	361.00	7.23	-33.98
CC(C)C1=CC=C(CC(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013819079	1	57	0.0	-41.40	432.76	9.95	-31.45
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCC3=CC(F)=CC=C32)CC1	REAL300013819153	1	49	0.0	-37.42	372.79	7.79	-29.63
CC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCOCC1	REAL300013819208	1	49	0.0	-36.97	356.87	4.74	-32.23
CC(C)(C)OC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013819339	1	54	0.0	-36.99	414.32	6.43	-30.56
COC1=CC=C2CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)COC2=C1	REAL300013819414	1	51	0.0	-45.48	394.11	5.54	-39.94
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C2CCCC2=C1	REAL300013819488	1	52	0.0	-36.11	396.17	9.03	-27.08
CCCCCN1C=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=N1	REAL300013819591	1	57	0.0	-38.59	443.32	7.81	-30.78
CC1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC(C)O1	REAL300013819693	1	49	0.0	-36.16	361.86	4.82	-31.34
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC2=CC=CC=C2C=C1	REAL300013819755	1	51	0.0	-37.55	396.61	9.39	-28.16
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300013819829	1	55	0.0	-37.52	424.84	10.52	-27.00
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1Br	REAL300013819899	1	45	0.0	-37.46	366.79	7.62	-29.84
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1Br	REAL300013819969	1	45	0.0	-37.50	366.64	7.64	-29.86
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2(O)CCOCC2)CC1	REAL300013820035	1	50	0.0	-37.78	370.02	1.79	-35.99
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCN(C(=O)N3CCCC3)C2)CC1	REAL300013820163	1	58	0.0	-52.13	424.50	6.00	-46.13
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=C3C=CC=CN3N=C2)CC1	REAL300013820229	1	45	0.0	-39.83	360.88	6.07	-33.76
C#CCC(CC1=CC=CC=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013820300	1	50	0.0	-42.35	393.66	9.11	-33.24
CC1CSCC1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013820353	1	43	0.0	-36.75	337.76	5.70	-31.05
C#CCOC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013820407	1	48	0.0	-38.80	390.29	7.05	-31.75
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C(F)(F)F)CC2)CC1	REAL300013820471	1	42	0.0	-36.27	342.36	5.67	-30.60
COC(=O)NC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013820538	1	50	0.0	-40.59	400.28	4.49	-36.10
O=C([O-])C[NH+]1CCC(NC(=O)NCCCN2C(=O)C3=CC=CC=C3C2=O)CC1	REAL300013820612	1	52	0.0	-41.80	420.58	6.60	-35.20
CC1COCCC1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013820659	1	49	0.0	-37.18	363.60	4.72	-32.46
N#CC1=NN(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013820709	1	42	0.0	-53.47	351.33	5.09	-48.38
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCC(C(=O)[O-])CC1)C2	REAL300013820745	0	56	0.0	-73.91	390.26	8.65	-65.26
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C2	REAL300013820746	0	56	0.0	-79.75	416.27	8.44	-71.31
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCOC(C(=O)[O-])C1)C2	REAL300013820747	0	54	0.0	-64.91	383.59	7.13	-57.78
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NC1CCC(C(=O)[O-])CC1)C2	REAL300013820748	0	59	0.0	-81.08	427.65	6.64	-74.44
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCCCCC(=O)[O-])C2	REAL300013820749	0	55	0.0	-80.42	408.98	5.63	-74.79
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C2	REAL300013820750	0	56	0.0	-77.87	416.28	8.43	-69.44
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCCC(=O)[O-])C2	REAL300013820751	0	49	0.0	-78.11	365.99	4.06	-74.05
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCCCCCC(=O)[O-])C2	REAL300013820752	0	58	0.0	-78.72	431.13	6.43	-72.29
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC(C)(C)C(=O)[O-])C2	REAL300013820753	0	55	0.0	-81.41	401.05	5.50	-75.91
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCC(C)(C(=O)[O-])C1)C2	REAL300013820754	0	56	0.0	-83.55	406.58	6.98	-76.57
CC1CC(C(=O)[O-])CN(C(=O)NC2CC3CCC(C2)[NH+]3CC(=O)N(C)C)C1	REAL300013820755	0	59	0.0	-82.23	423.94	7.93	-74.30
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)C2	REAL300013820756	0	59	0.0	-80.08	404.49	8.95	-71.13
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCCCC(=O)[O-])C2	REAL300013820757	0	52	0.0	-75.58	387.49	4.85	-70.73
CC1CCN(C(=O)NC2CC3CCC(C2)[NH+]3CC(=O)N(C)C)CC1C(=O)[O-]	REAL300013820758	0	59	0.0	-84.49	406.25	9.13	-75.36
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C2	REAL300013820759	0	60	0.0	-64.66	418.95	6.30	-58.36
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCCC(C)(C)C(=O)[O-])C2	REAL300013820760	0	58	0.0	-76.46	419.78	5.73	-70.73
CCC(CC)(CNC(=O)NC1CC2CCC(C1)[NH+]2CC(=O)N(C)C)C(=O)[O-]	REAL300013820761	0	61	0.0	-70.63	430.02	6.87	-63.76
CC(CNC(=O)NC1CC2CCC(C1)[NH+]2CC(=O)N(C)C)C(=O)[O-]	REAL300013820762	0	52	0.0	-79.69	385.75	4.83	-74.86
CC(C)C(CNC(=O)NC1CC2CCC(C1)[NH+]2CC(=O)N(C)C)C(=O)[O-]	REAL300013820763	0	58	0.0	-69.07	418.42	6.09	-62.98
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300013820764	0	56	0.0	-75.40	409.64	6.16	-69.24
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCC(CCC(=O)[O-])CC1)C2	REAL300013820765	0	62	0.0	-78.63	431.08	10.15	-68.48
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1C[C@H]3COC[C@@]3(C(=O)[O-])C1)C2	REAL300013820766	0	58	0.0	-77.74	419.13	5.59	-72.15
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C2	REAL300013820767	0	59	0.0	-66.31	415.91	8.38	-57.93
CC1CN(C(=O)NC2CC3CCC(C2)[NH+]3CC(=O)N(C)C)CCC1C(=O)[O-]	REAL300013820768	0	59	0.0	-76.70	416.22	8.09	-68.61
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC1(C(=O)[O-])CCC1)C2	REAL300013820769	0	56	0.0	-64.56	398.86	7.52	-57.04
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C2	REAL300013820770	0	59	0.0	-81.70	424.09	8.38	-73.32
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCC(C)(C(=O)[O-])CC1)C2	REAL300013820771	0	59	0.0	-80.08	404.49	8.95	-71.13
CC(C)C[C@H](CNC(=O)NC1CC2CCC(C1)[NH+]2CC(=O)N(C)C)CC(=O)[O-]	REAL300013820772	0	64	0.0	-79.37	443.63	8.77	-70.60
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C2	REAL300013820773	0	56	0.0	-72.01	408.87	8.52	-63.49
COCC1(C(=O)[O-])CCN(C(=O)NC2CC3CCC(C2)[NH+]3CC(=O)N(C)C)C1	REAL300013820774	0	60	0.0	-79.80	429.26	7.48	-72.32
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C2	REAL300013820775	0	53	0.0	-74.11	384.40	6.91	-67.20
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NC1CCN(CC(=O)[O-])CC1)C2	REAL300013820776	0	61	0.0	-79.13	441.25	4.44	-74.69
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCC[C@@H](C(=O)[O-])C1)C2	REAL300013820777	0	56	0.0	-65.81	401.12	7.28	-58.53
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCC[C@H](C(=O)[O-])C1)C2	REAL300013820778	0	56	0.0	-82.13	403.09	7.37	-74.76
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NC1CC(C(=O)[O-])C1)C2	REAL300013820779	0	53	0.0	-74.37	383.74	6.86	-67.51
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C2	REAL300013820780	0	53	0.0	-76.89	382.85	6.93	-69.96
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C2	REAL300013820781	0	56	0.0	-77.87	416.28	8.43	-69.44
CCC(CNC(=O)NC1CC2CCC(C1)[NH+]2CC(=O)N(C)C)C(=O)[O-]	REAL300013820782	0	55	0.0	-72.68	406.07	5.52	-67.16
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCCCC1CCC(=O)[O-])C2	REAL300013820783	0	62	0.0	-88.96	424.28	10.03	-78.93
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCCCCCCCC(=O)[O-])C2	REAL300013820784	0	64	0.0	-80.53	474.13	8.00	-72.53
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCCCCCCC(=O)[O-])C2	REAL300013820785	0	61	0.0	-81.66	451.98	7.19	-74.47
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N(C)CCCC(=O)[O-])C2	REAL300013820786	0	55	0.0	-83.77	394.08	8.57	-75.20
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCCC(C)(C(=O)[O-])C1)C2	REAL300013820787	0	59	0.0	-67.37	417.64	8.10	-59.27
COCCN(CCC(=O)[O-])C(=O)NC1CC2CCC(C1)[NH+]2CC(=O)N(C)C	REAL300013820788	0	59	0.0	-65.26	437.45	6.60	-58.66
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCCC(CCC(=O)[O-])C1)C2	REAL300013820789	0	62	0.0	-85.26	431.27	10.12	-75.14
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C2	REAL300013820790	0	57	0.0	-72.90	415.11	6.14	-66.76
CC1CCC(C(=O)[O-])CN1C(=O)NC1CC2CCC(C1)[NH+]2CC(=O)N(C)C	REAL300013820791	0	59	0.0	-63.23	407.13	9.26	-53.97
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCCC(O)(C(=O)[O-])C1)C2	REAL300013820792	0	57	0.0	-79.97	412.36	4.89	-75.08
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NC13CC(C(=O)[O-])(C1)C3)C2	REAL300013820793	0	54	0.0	-81.72	403.79	5.67	-76.05
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C2	REAL300013820794	0	59	0.0	-71.28	415.59	8.59	-62.69
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C2	REAL300013820795	0	62	0.0	-79.87	436.31	8.80	-71.07
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCC(CC(=O)[O-])CC1)C2	REAL300013820796	0	59	0.0	-80.01	409.83	9.38	-70.63
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCC(OCC(=O)[O-])CC1)C2	REAL300013820797	0	60	0.0	-77.41	426.36	8.77	-68.64
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C2	REAL300013820798	0	59	0.0	-72.01	429.02	6.67	-65.34
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NC1CCCC(C(=O)[O-])C1)C2	REAL300013820799	0	59	0.0	-75.92	428.44	6.66	-69.26
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC1(C(=O)[O-])CCCOC1)C2	REAL300013820800	0	60	0.0	-73.08	422.70	6.95	-66.13
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC1(C(=O)[O-])CCOC1)C2	REAL300013820801	0	57	0.0	-69.24	405.01	5.65	-63.59
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)C2	REAL300013820802	0	54	0.0	-75.53	404.12	6.14	-69.39
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC1(C(=O)[O-])CC1)C2	REAL300013820803	0	53	0.0	-62.71	382.77	7.14	-55.57
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CC(C(=O)[O-])C3(CCC3)C1)C2	REAL300013820804	0	60	0.0	-67.94	421.34	9.63	-58.31
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCOC(C)(C(=O)[O-])C1)C2	REAL300013820805	0	57	0.0	-83.63	410.66	6.60	-77.03
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CC(C(=O)[O-])C1)C2	REAL300013820806	0	50	0.0	-71.91	374.61	5.65	-66.26
COC1CC(C(=O)[O-])CN(C(=O)NC2CC3CCC(C2)[NH+]3CC(=O)N(C)C)C1	REAL300013820807	0	60	0.0	-68.43	434.85	6.45	-61.98
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N1CCC(C(=O)[O-])C1)C2	REAL300013820808	0	53	0.0	-78.84	389.08	6.46	-72.38
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N[C@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)C2	REAL300013820809	0	54	0.0	-83.31	393.74	7.61	-75.70
CC(CCC(=O)[O-])NC(=O)NC1CC2CCC(C1)[NH+]2CC(=O)N(C)C	REAL300013820810	0	55	0.0	-73.16	407.65	5.83	-67.33
CCN1C=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013820869	1	45	0.0	-39.08	357.51	4.93	-34.15
O=C([O-])C[NH+]1CCC(NC(=O)NCC(F)(F)C2=CC=C(Cl)C=C2)CC1	REAL300013820927	1	45	0.0	-39.77	380.89	7.66	-32.11
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C(F)(F)F)CCC2)CC1	REAL300013820995	1	45	0.0	-35.81	352.65	6.45	-29.36
COC(=O)N1CCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013821067	1	53	0.0	-42.46	402.69	5.33	-37.13
O=C([O-])C[NH+]1CCC(NC(=O)NCCN2C=C(Br)C=N2)CC1	REAL300013821193	1	42	0.0	-46.55	356.94	4.83	-41.72
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=CC=N3)CCC2)CC1	REAL300013821265	1	51	0.0	-35.75	393.21	7.18	-28.57
CS(=O)(=O)C1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCC1	REAL300013821341	1	51	0.0	-42.67	387.54	3.76	-38.91
CSCC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013821415	1	49	0.0	-40.82	399.26	8.16	-32.66
CC(C)C(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300013821489	1	54	0.0	-40.64	424.39	9.15	-31.49
O=C([O-])C[NH+]1CCC(NC(=O)NCC(N2CCOCC2)C(F)(F)F)CC1	REAL300013821559	1	51	0.0	-38.11	387.36	2.75	-35.36
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2CCC2)C2CCC2)CC1	REAL300013821617	1	52	0.0	-34.50	380.27	8.42	-26.08
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1	REAL300013821684	1	51	0.0	-40.95	385.76	1.06	-39.89
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013821740	0	48	0.0	-74.23	379.42	7.41	-66.82
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013821740	1	48	0.0	-74.80	373.57	7.03	-67.77
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013821741	0	51	0.0	-74.90	376.59	7.25	-67.65
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013821741	1	51	0.0	-65.53	371.78	7.15	-58.38
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013821742	0	48	0.0	-70.61	375.47	7.81	-62.80
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013821742	1	48	0.0	-73.40	373.28	6.99	-66.41
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013821743	0	58	0.0	-67.32	422.16	11.03	-56.29
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013821743	1	58	0.0	-77.93	427.29	10.87	-67.06
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013821744	0	51	0.0	-75.87	372.71	8.65	-67.22
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013821744	1	51	0.0	-57.57	366.25	8.22	-49.35
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013821745	0	51	0.0	-70.75	369.20	8.06	-62.69
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013821745	1	51	0.0	-71.19	362.93	7.68	-63.51
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013821746	0	51	0.0	-76.85	371.89	8.78	-68.07
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013821746	1	51	0.0	-76.33	369.02	7.93	-68.40
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013821747	0	52	0.0	-59.49	384.16	5.28	-54.21
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013821747	1	52	0.0	-58.03	375.08	5.02	-53.01
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013821748	0	53	0.0	-61.03	387.05	6.98	-54.05
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013821748	1	53	0.0	-60.74	378.57	6.88	-53.86
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013821749	0	57	0.0	-74.45	414.62	7.87	-66.58
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013821749	1	57	0.0	-75.33	411.38	7.62	-67.71
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013821750	0	54	0.0	-62.74	410.55	8.63	-54.11
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013821750	1	54	0.0	-62.44	404.47	8.22	-54.22
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013821751	0	54	0.0	-71.61	395.86	9.24	-62.37
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013821751	1	54	0.0	-72.71	390.05	8.82	-63.89
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013821752	0	50	0.0	-69.81	373.85	5.88	-63.93
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013821752	1	50	0.0	-70.63	367.93	5.58	-65.05
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013821753	0	51	0.0	-61.15	378.12	7.28	-53.87
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013821753	1	51	0.0	-62.04	374.04	6.94	-55.10
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013821754	0	51	0.0	-68.55	368.21	8.66	-59.89
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013821754	1	51	0.0	-72.45	369.80	7.96	-64.49
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013821755	0	51	0.0	-68.57	383.22	7.70	-60.87
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013821755	1	51	0.0	-64.89	379.25	6.90	-57.99
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013821756	0	51	0.0	-70.75	369.20	8.06	-62.69
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013821756	1	51	0.0	-71.19	362.93	7.68	-63.51
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013821757	0	56	0.0	-64.90	413.23	7.86	-57.04
CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013821757	1	56	0.0	-66.73	401.87	7.33	-59.40
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013821758	0	48	0.0	-65.09	367.57	7.65	-57.44
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013821758	1	48	0.0	-66.99	367.19	7.13	-59.86
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013821759	0	52	0.0	-78.30	387.98	7.60	-70.70
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013821759	1	52	0.0	-76.47	388.72	6.12	-70.35
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013821760	0	53	0.0	-70.23	394.99	4.95	-65.28
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013821760	1	53	0.0	-70.73	389.11	4.56	-66.17
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013821761	0	58	0.0	-69.17	434.33	9.17	-60.00
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013821761	1	58	0.0	-62.36	432.69	8.64	-53.72
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013821762	0	48	0.0	-70.61	375.47	7.81	-62.80
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013821762	1	48	0.0	-73.40	373.28	6.99	-66.41
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013821763	0	54	0.0	-75.67	383.23	9.25	-66.42
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013821763	1	54	0.0	-75.38	383.21	8.75	-66.63
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013821764	0	56	0.0	-73.56	427.67	8.43	-65.13
CCC[N@H+]1CCC[C@H]1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013821764	1	56	0.0	-73.76	421.59	8.02	-65.74
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013821765	0	53	0.0	-74.31	406.17	7.65	-66.66
CCC[N@H+]1CCC[C@H]1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013821765	1	53	0.0	-74.43	400.10	7.24	-67.19
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013821766	0	51	0.0	-76.34	367.69	8.95	-67.39
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013821766	1	51	0.0	-76.08	365.44	8.12	-67.96
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013821767	0	55	0.0	-79.55	398.57	8.74	-70.81
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013821767	1	55	0.0	-78.99	396.43	7.90	-71.09
CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCOC)CCC(=O)[O-]	REAL300013821768	0	51	0.0	-52.06	384.75	7.15	-44.91
CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCOC)CCC(=O)[O-]	REAL300013821768	1	51	0.0	-55.95	384.31	7.28	-48.67
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013821769	0	57	0.0	-76.13	424.68	9.65	-66.48
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013821769	1	57	0.0	-75.94	424.97	9.04	-66.90
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013821770	0	54	0.0	-75.58	392.53	9.64	-65.94
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013821770	1	54	0.0	-75.06	390.42	8.84	-66.22
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013821771	0	52	0.0	-72.96	384.84	10.95	-62.01
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013821771	1	52	0.0	-77.83	383.60	9.36	-68.47
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013821772	0	59	0.0	-67.89	437.83	7.75	-60.14
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013821772	1	59	0.0	-68.87	435.64	6.98	-61.89
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013821773	0	49	0.0	-69.17	368.33	6.51	-62.66
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013821773	1	49	0.0	-66.23	362.22	6.07	-60.16
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013821774	0	51	0.0	-52.88	364.30	8.47	-44.41
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013821774	1	51	0.0	-57.44	364.63	7.99	-49.45
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013821775	0	55	0.0	-58.80	413.19	10.76	-48.04
CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013821775	1	55	0.0	-63.82	412.78	9.92	-53.90
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013821776	0	49	0.0	-72.38	361.79	5.76	-66.62
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013821776	1	49	0.0	-72.22	359.55	4.93	-67.29
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013821777	0	52	0.0	-67.11	392.76	8.83	-58.28
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013821777	1	52	0.0	-72.10	396.04	8.24	-63.86
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013821778	0	55	0.0	-76.90	411.33	7.27	-69.63
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013821778	1	55	0.0	-81.60	401.62	7.20	-74.40
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013821779	0	55	0.0	-73.79	399.94	7.93	-65.86
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013821779	1	55	0.0	-74.18	393.68	7.56	-66.62
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013821780	0	57	0.0	-62.43	398.94	8.48	-53.95
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013821780	1	57	0.0	-66.18	396.80	7.66	-58.52
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013821781	0	51	0.0	-64.83	377.96	7.47	-57.36
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013821781	1	51	0.0	-65.17	371.49	7.13	-58.04
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013821782	0	54	0.0	-72.45	396.54	8.20	-64.25
CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013821782	1	54	0.0	-73.45	394.65	7.41	-66.04
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013821783	0	51	0.0	-72.41	373.49	8.43	-63.98
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013821783	1	51	0.0	-65.18	367.75	8.04	-57.14
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013821784	0	52	0.0	-73.94	390.09	7.86	-66.08
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013821784	1	52	0.0	-73.02	384.36	7.47	-65.55
CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013821785	0	51	0.0	-69.16	381.89	7.08	-62.08
CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013821785	1	51	0.0	-69.67	375.90	6.69	-62.98
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013821786	0	51	0.0	-65.39	374.55	7.92	-57.47
CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013821786	1	51	0.0	-69.60	375.66	6.71	-62.89
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013821787	0	52	0.0	-52.97	378.61	5.97	-47.00
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013821787	1	52	0.0	-60.27	379.60	5.02	-55.25
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013821788	0	49	0.0	-59.34	368.79	5.21	-54.13
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013821788	1	49	0.0	-60.60	363.30	4.44	-56.16
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013821789	0	60	0.0	-73.69	454.64	9.79	-63.90
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013821789	1	60	0.0	-73.90	448.58	9.38	-64.52
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013821790	0	52	0.0	-59.38	381.14	9.01	-50.37
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013821790	1	52	0.0	-63.10	378.07	8.19	-54.91
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013821791	0	48	0.0	-59.35	371.77	7.99	-51.36
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013821791	1	48	0.0	-63.34	369.88	7.19	-56.15
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013821792	0	49	0.0	-56.56	360.01	7.43	-49.13
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013821792	1	49	0.0	-76.10	357.79	6.61	-69.49
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013821793	0	52	0.0	-74.31	388.94	6.82	-67.49
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013821793	1	52	0.0	-59.29	383.48	6.39	-52.90
CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013821794	0	57	0.0	-76.94	434.42	6.34	-70.60
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013821794	1	57	0.0	-82.43	428.59	5.96	-76.47
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=C(F)C=NC=C1F	REAL300013821868	1	44	0.0	-40.26	354.70	5.52	-34.74
CS(=O)CC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013821949	1	50	0.0	-51.61	408.79	5.51	-46.10
CC1=CC2=CC(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CC=C2N1	REAL300013822022	1	49	0.0	-37.78	386.41	6.88	-30.90
CNC(=O)COC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013822198	1	53	0.0	-46.22	423.16	5.12	-41.10
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(OCC3=CC=CC=C3)=C2)CC1	REAL300013822269	1	56	0.0	-38.12	444.41	9.55	-28.57
C=CCCCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013822315	1	51	0.0	-35.65	393.14	7.67	-27.98
CC(C)C1=CC=C(OC(C)CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013822374	1	58	0.0	-36.34	440.77	8.35	-27.99
CC(C)SCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013822422	1	45	0.0	-36.99	357.31	5.96	-31.03
O=C([O-])C[NH+]1CCC(NC(=O)NC2C3CCC2CC2=CC=CC=C2C3)CC1	REAL300013822577	1	56	0.0	-36.02	402.52	9.12	-26.90
O=C([O-])C1CCN(C(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)CC1	REAL300013822632	1	55	0.0	-69.63	421.30	10.00	-59.63
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)CCO1	REAL300013822633	1	53	0.0	-75.88	414.47	8.46	-67.42
O=C([O-])CCCCNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1	REAL300013822634	1	54	0.0	-73.76	429.14	8.31	-65.45
O=C([O-])CCNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1	REAL300013822635	1	48	0.0	-69.99	386.14	6.74	-63.25
O=C([O-])CCCCCNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1	REAL300013822636	1	57	0.0	-72.64	450.63	9.10	-63.54
CC(C)(CNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1)C(=O)[O-]	REAL300013822637	1	54	0.0	-73.37	421.58	8.20	-65.17
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)C1	REAL300013822638	1	55	0.0	-72.53	428.49	9.60	-62.93
O=C([O-])CCCNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1	REAL300013822639	1	51	0.0	-68.04	407.64	7.53	-60.51
CC(C)(CCNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1)C(=O)[O-]	REAL300013822640	1	57	0.0	-69.01	440.92	8.42	-60.59
CC(CNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1)C(=O)[O-]	REAL300013822641	1	51	0.0	-71.06	403.81	7.48	-63.58
CC(C)C(CNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1)C(=O)[O-]	REAL300013822642	1	57	0.0	-60.85	438.17	8.79	-52.06
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)C1	REAL300013822643	1	55	0.0	-65.34	428.87	8.56	-56.78
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)CCC1	REAL300013822644	1	55	0.0	-58.47	428.12	8.89	-49.58
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)C1	REAL300013822645	1	52	0.0	-68.24	412.54	7.87	-60.37
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)C1	REAL300013822646	1	55	0.0	-56.50	422.28	10.02	-46.48
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)C1	REAL300013822647	1	55	0.0	-75.69	421.96	9.80	-65.89
O=C([O-])C1CC(NC(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)C1	REAL300013822648	1	52	0.0	-68.22	413.11	8.10	-60.12
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)C1	REAL300013822649	1	52	0.0	-70.59	412.65	8.15	-62.44
CCC(CNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1)C(=O)[O-]	REAL300013822650	1	54	0.0	-62.95	426.64	8.20	-54.75
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1	REAL300013822651	1	54	0.0	-73.52	425.27	9.94	-63.58
O=C([O-])C12CC(NC(=O)NCC3=CC=C(N4CCC5=CC=CC=C5C4)[NH+]=C3)(C1)C2	REAL300013822652	1	53	0.0	-75.81	422.85	8.32	-67.49
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C1)C2	REAL300013822653	1	53	0.0	-68.34	424.59	8.82	-59.52
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)CC1	REAL300013822654	1	52	0.0	-57.26	413.28	8.47	-48.79
O=C([O-])C1CN(C(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)C1	REAL300013822655	1	49	0.0	-63.78	393.88	8.31	-55.47
O=C([O-])C1CCN(C(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)C1	REAL300013822656	1	52	0.0	-71.76	408.77	9.10	-62.66
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C1)C2	REAL300013822657	1	53	0.0	-75.17	423.23	8.62	-66.55
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1	REAL300013822658	1	54	0.0	-66.50	427.39	8.55	-57.95
O=C([O-])C1CCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CC1	REAL300013822686	0	52	0.0	-72.74	401.14	11.12	-61.62
O=C([O-])C1CN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCO1	REAL300013822687	0	50	0.0	-77.73	393.59	9.65	-68.08
O=C([O-])C1CCC(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CC1	REAL300013822688	0	55	0.0	-66.94	422.09	10.81	-56.13
O=C([O-])CCCCNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300013822689	0	51	0.0	-75.59	408.95	9.51	-66.08
O=C([O-])CCNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300013822690	0	45	0.0	-70.76	365.96	7.94	-62.82
O=C([O-])CCCCCNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300013822691	0	54	0.0	-74.23	430.45	10.29	-63.94
CC(C)(CNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013822692	0	51	0.0	-74.83	400.81	9.41	-65.42
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013822693	0	52	0.0	-74.86	408.29	10.67	-64.19
CC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013822694	0	55	0.0	-55.93	418.34	11.95	-43.98
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CC1	REAL300013822695	0	55	0.0	-73.84	414.30	11.59	-62.25
O=C([O-])CCCNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300013822696	0	48	0.0	-68.64	387.45	8.73	-59.91
CC1CCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CC1C(=O)[O-]	REAL300013822697	0	55	0.0	-52.82	416.41	11.63	-41.19
CC(C)(CCNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013822698	0	54	0.0	-69.72	420.74	9.62	-60.10
CCC(CC)(CNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013822699	0	57	0.0	-59.16	428.34	10.58	-48.58
CC(CNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013822700	0	48	0.0	-73.12	385.31	8.72	-64.40
CC(C)C(CNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013822701	0	54	0.0	-59.79	417.99	9.99	-49.80
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013822702	0	52	0.0	-64.51	409.08	10.01	-54.50
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCCC1	REAL300013822703	0	55	0.0	-56.11	425.91	10.78	-45.33
CC1CN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCC1C(=O)[O-]	REAL300013822704	0	55	0.0	-71.71	413.60	11.91	-59.80
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCC1	REAL300013822705	0	52	0.0	-54.24	407.93	10.08	-44.16
O=C([O-])CC(CNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CC1	REAL300013822706	0	55	0.0	-74.44	432.58	10.77	-63.67
CC1(C(=O)[O-])CCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CC1	REAL300013822707	0	55	0.0	-73.84	414.30	11.59	-62.25
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013822708	0	49	0.0	-68.13	392.47	9.21	-58.92
O=C([O-])[C@@H]1CCCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013822709	0	52	0.0	-53.92	400.49	10.92	-43.00
O=C([O-])[C@H]1CCCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013822710	0	52	0.0	-76.23	405.31	10.56	-65.67
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013822711	0	49	0.0	-70.35	386.11	8.21	-62.14
O=C([O-])[C@H]1C[C@H](NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013822712	0	49	0.0	-73.24	396.48	8.70	-64.54
CCC(CNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013822713	0	51	0.0	-57.92	406.46	9.40	-48.52
O=C([O-])CCCCCCNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300013822714	0	57	0.0	-77.91	451.95	11.07	-66.84
CN(CCCC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300013822715	0	51	0.0	-75.65	398.31	10.03	-65.62
CC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013822716	0	55	0.0	-78.83	417.08	12.04	-66.79
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300013822717	0	55	0.0	-50.19	430.00	9.38	-40.81
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300013822718	0	55	0.0	-52.60	409.28	10.71	-41.89
O=C([O-])C1(O)CCCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013822719	0	53	0.0	-75.16	411.11	8.88	-66.28
O=C([O-])C12CC(NC(=O)NCC(C3=CC=CC(Cl)=C3)[NH+]3CCCC3)(C1)C2	REAL300013822720	0	50	0.0	-79.95	395.89	8.44	-71.51
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CC1	REAL300013822721	0	55	0.0	-70.94	425.49	10.25	-60.69
O=C([O-])CC1CCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CC1	REAL300013822722	0	55	0.0	-66.23	419.69	11.80	-54.43
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013822723	0	55	0.0	-72.52	431.01	9.85	-62.67
O=C([O-])C1CCCC(NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013822724	0	55	0.0	-72.03	420.52	9.43	-62.60
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCOC1	REAL300013822725	0	53	0.0	-56.30	414.58	7.97	-48.33
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C2	REAL300013822726	0	50	0.0	-67.53	404.11	10.03	-57.50
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CC1	REAL300013822727	0	49	0.0	-52.99	393.10	9.67	-43.32
CC1(C(=O)[O-])CN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCO1	REAL300013822728	0	53	0.0	-58.66	409.54	10.52	-48.14
O=C([O-])C1CN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013822729	0	46	0.0	-63.95	366.92	8.42	-55.53
O=C([O-])C1CCN(C(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013822730	0	49	0.0	-72.43	388.56	10.20	-62.23
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C2	REAL300013822731	0	50	0.0	-77.92	407.22	9.38	-68.54
CC(CCC(=O)[O-])NC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300013822732	0	51	0.0	-64.92	407.21	9.75	-55.17
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013822733	1	49	0.0	-88.07	369.26	6.04	-82.03
C[NH+]1CCN(C(=O)CCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013822734	1	49	0.0	-89.84	393.35	5.69	-84.15
C[NH+]1CCN(C(=O)CCNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013822735	1	47	0.0	-76.12	362.39	4.53	-71.59
C[NH+]1CCN(C(=O)CCNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013822736	1	52	0.0	-94.05	395.99	5.38	-88.67
C[NH+]1CCN(C(=O)CCNC(=O)NCCCCC(=O)[O-])CC1	REAL300013822737	1	48	0.0	-91.49	377.09	4.37	-87.12
C[NH+]1CCN(C(=O)CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013822738	1	49	0.0	-91.20	393.35	5.68	-85.52
C[NH+]1CCN(C(=O)CCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013822739	1	51	0.0	-89.33	398.59	5.15	-84.18
C[NH+]1CCN(C(=O)CCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013822740	1	48	0.0	-92.48	369.53	4.25	-88.23
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013822741	1	49	0.0	-94.95	373.58	5.71	-89.24
CC1CC(C(=O)[O-])CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1	REAL300013822742	1	52	0.0	-73.69	386.40	6.91	-66.78
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013822743	1	52	0.0	-89.00	383.50	6.38	-82.62
C[NH+]1CCN(C(=O)CCNC(=O)NCCCC(=O)[O-])CC1	REAL300013822744	1	45	0.0	-85.38	355.59	3.59	-81.79
CC1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1C(=O)[O-]	REAL300013822745	1	52	0.0	-74.87	389.11	6.60	-68.27
C[NH+]1CCN(C(=O)CCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013822746	1	53	0.0	-81.15	395.67	3.76	-77.39
C[NH+]1CCN(C(=O)CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013822747	1	51	0.0	-85.83	388.88	4.47	-81.36
CCC(CC)(CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013822748	1	54	0.0	-81.74	401.19	5.27	-76.47
CC(CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013822749	1	45	0.0	-90.59	353.45	3.58	-87.01
CC(C)C(CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013822750	1	51	0.0	-79.54	386.13	4.84	-74.70
CC(NC(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013822751	1	58	0.0	-94.90	428.41	6.14	-88.76
C[NH+]1CCN(C(=O)CCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013822752	1	55	0.0	-81.92	424.46	6.91	-75.01
C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013822753	1	49	0.0	-82.14	377.00	4.84	-77.30
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013822754	1	55	0.0	-89.23	410.10	7.53	-81.70
C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013822755	1	51	0.0	-93.55	387.10	4.21	-89.34
C[NH+]1CCN(C(=O)CCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013822756	1	52	0.0	-81.44	394.05	5.64	-75.80
CC1CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCC1C(=O)[O-]	REAL300013822757	1	52	0.0	-86.57	382.76	6.79	-79.78
C[NH+]1CCN(C(=O)CCNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013822758	1	49	0.0	-79.36	376.06	4.94	-74.42
C[NH+]1CCN(C(=O)CCNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013822759	1	52	0.0	-91.66	401.09	5.57	-86.09
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013822760	1	52	0.0	-89.00	383.50	6.38	-82.62
CC(C)C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013822761	1	57	0.0	-89.19	422.10	5.97	-83.22
C[NH+]1CCN(C(=O)CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013822762	1	49	0.0	-88.97	386.96	5.81	-83.16
COCC1(C(=O)[O-])CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1	REAL300013822763	1	53	0.0	-98.15	404.82	5.54	-92.61
C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013822764	1	46	0.0	-85.85	361.06	4.16	-81.69
CN1CCN(C(=O)CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013822765	1	54	0.0	-49.73	408.27	3.06	-46.67
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013822766	1	49	0.0	-73.27	369.53	6.04	-67.23
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013822767	1	49	0.0	-73.92	370.09	6.07	-67.85
C[NH+]1CCN(C(=O)CCNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013822768	1	46	0.0	-85.91	361.06	4.15	-81.76
C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013822769	1	46	0.0	-87.58	360.96	4.21	-83.37
C[NH+]1CCN(C(=O)CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013822770	1	49	0.0	-91.20	393.35	5.68	-85.52
CCC(CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013822771	1	48	0.0	-81.98	374.59	4.25	-77.73
C[NH+]1CCN(C(=O)CCNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013822772	1	55	0.0	-102.03	403.43	7.46	-94.57
C[NH+]1CCN(C(=O)CCNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013822773	1	57	0.0	-91.38	441.58	6.71	-84.67
C[NH+]1CCN(C(=O)CCNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013822774	1	54	0.0	-92.84	420.08	5.93	-86.91
CN(CCCC(=O)[O-])C(=O)NCCC(=O)N1CC[NH+](C)CC1	REAL300013822775	1	48	0.0	-92.70	373.22	5.98	-86.72
C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013822776	1	52	0.0	-95.84	384.89	6.82	-89.02
COCC1(C(=O)[O-])CCCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1	REAL300013822777	1	56	0.0	-99.72	417.11	5.97	-93.75
COCCN(CCC(=O)[O-])C(=O)NCCC(=O)N1CC[NH+](C)CC1	REAL300013822778	1	52	0.0	-72.39	404.91	5.34	-67.05
C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013822779	1	55	0.0	-95.44	410.41	7.51	-87.93
C[NH+]1CCN(C(=O)CCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013822780	1	53	0.0	-98.74	403.43	8.59	-90.15
C[NH+]1CCN(C(=O)CCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013822781	1	50	0.0	-82.07	382.59	4.83	-77.24
CC1CCC(C(=O)[O-])CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1	REAL300013822782	1	52	0.0	-73.65	385.49	6.63	-67.02
C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013822783	1	56	0.0	-80.20	432.74	8.68	-71.52
C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013822784	1	50	0.0	-92.49	379.67	3.64	-88.85
C[NH+]1CCN(C(=O)CCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013822785	1	53	0.0	-88.46	416.03	6.92	-81.54
C[NH+]1CCN(C(=O)CCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013822786	1	56	0.0	-108.05	421.67	5.91	-102.14
COCC1(C(=O)[O-])CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1	REAL300013822787	1	56	0.0	-91.71	413.70	6.25	-85.46
C[NH+]1CCN(C(=O)CCNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013822788	1	47	0.0	-93.98	370.80	4.39	-89.59
C[NH+]1CCN(C(=O)CCNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013822789	1	58	0.0	-88.15	417.00	6.34	-81.81
C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013822790	1	52	0.0	-82.96	390.23	5.76	-77.20
C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013822791	1	55	0.0	-89.88	414.42	6.07	-83.81
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013822792	1	52	0.0	-81.86	387.79	6.75	-75.11
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013822793	1	53	0.0	-91.92	404.33	6.13	-85.79
C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013822794	1	52	0.0	-86.83	395.46	5.37	-81.46
C[NH+]1CCN(C(=O)CCNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013822795	1	52	0.0	-83.25	391.55	5.81	-77.44
C[NH+]1CCN(C(=O)CCNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013822796	1	53	0.0	-83.21	400.80	4.23	-78.98
C[NH+]1CCN(C(=O)CCNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013822797	1	50	0.0	-79.27	382.73	2.92	-76.35
C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013822798	1	47	0.0	-86.19	372.20	4.88	-81.31
C[NH+]1CCN(C(=O)CCNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013822799	1	46	0.0	-76.57	360.87	4.42	-72.15
C[NH+]1CCN(C(=O)CCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013822800	1	53	0.0	-79.70	399.06	6.90	-72.80
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013822801	1	49	0.0	-83.97	389.53	5.93	-78.04
C[NH+]1CCN(C(=O)CCNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013822802	1	50	0.0	-95.23	377.95	5.31	-89.92
COC1CC(C(=O)[O-])CN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1	REAL300013822803	1	53	0.0	-75.59	401.13	5.16	-70.43
C[NH+]1CCN(C(=O)CCNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013822804	1	46	0.0	-89.96	356.71	5.17	-84.79
C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013822805	1	47	0.0	-92.68	371.83	4.89	-87.79
CC(CCC(=O)[O-])NC(=O)NCCC(=O)N1CC[NH+](C)CC1	REAL300013822806	1	48	0.0	-83.26	375.35	4.60	-78.66
CC[NH+](CC)C(CNC(=O)N1CCC(C(=O)[O-])CC1)C1=CSC=C1	REAL300013822885	0	51	0.0	-68.36	376.36	9.85	-58.51
CC[NH+](CC)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1=CSC=C1	REAL300013822886	0	51	0.0	-74.23	407.17	8.46	-65.77
CC[NH+](CC)C(CNC(=O)N1CCOC(C(=O)[O-])C1)C1=CSC=C1	REAL300013822887	0	49	0.0	-61.38	375.55	7.26	-54.12
CC[NH+](CC)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)C1=CSC=C1	REAL300013822888	0	54	0.0	-76.77	405.39	8.98	-67.79
CC[NH+](CC)C(CNC(=O)NCCCCC(=O)[O-])C1=CSC=C1	REAL300013822889	0	50	0.0	-71.86	388.03	7.09	-64.77
CC[NH+](CC)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CSC=C1	REAL300013822890	0	51	0.0	-70.45	402.87	9.32	-61.13
CC[NH+](CC)C(CNC(=O)NCCC(=O)[O-])C1=CSC=C1	REAL300013822891	0	44	0.0	-66.71	341.55	6.57	-60.14
CC[NH+](CC)C(CNC(=O)NCCCCCC(=O)[O-])C1=CSC=C1	REAL300013822892	0	53	0.0	-70.03	406.05	8.93	-61.10
CC[NH+](CC)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CSC=C1	REAL300013822893	0	50	0.0	-71.28	379.89	6.99	-64.29
CC[NH+](CC)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C1=CSC=C1	REAL300013822894	0	51	0.0	-70.56	391.05	8.44	-62.12
CC[NH+](CC)C(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)C1=CSC=C1	REAL300013822895	0	54	0.0	-53.76	396.67	10.32	-43.44
CC[NH+](CC)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CSC=C1	REAL300013822896	0	54	0.0	-71.41	393.07	9.73	-61.68
CC[NH+](CC)C(CNC(=O)NCCCC(=O)[O-])C1=CSC=C1	REAL300013822897	0	47	0.0	-64.63	363.05	7.37	-57.26
CC[NH+](CC)C(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)C1=CSC=C1	REAL300013822898	0	54	0.0	-51.05	395.02	10.09	-40.96
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CSC=C1	REAL300013822899	0	55	0.0	-55.58	405.09	7.35	-48.23
CC[NH+](CC)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CSC=C1	REAL300013822900	0	53	0.0	-65.80	394.61	7.90	-57.90
CC[NH+](CC)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1=CSC=C1	REAL300013822901	0	56	0.0	-51.16	403.95	9.22	-41.94
CC[NH+](CC)C(CNC(=O)NCC(C)C(=O)[O-])C1=CSC=C1	REAL300013822902	0	47	0.0	-69.36	358.37	6.98	-62.38
CC[NH+](CC)C(CNC(=O)NCC(C(=O)[O-])C(C)C)C1=CSC=C1	REAL300013822903	0	53	0.0	-56.93	391.80	8.64	-48.29
CC[NH+](CC)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CSC=C1	REAL300013822904	0	60	0.0	-78.40	429.92	9.08	-69.32
CC[NH+](CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013822905	0	51	0.0	-65.03	390.84	7.61	-57.42
CC[NH+](CC)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C1=CSC=C1	REAL300013822906	0	57	0.0	-70.87	417.17	11.32	-59.55
CC[NH+](CC)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1=CSC=C1	REAL300013822907	0	53	0.0	-72.18	397.19	7.82	-64.36
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CSC=C1	REAL300013822908	0	54	0.0	-53.81	398.77	8.74	-45.07
CC[NH+](CC)C(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)C1=CSC=C1	REAL300013822909	0	54	0.0	-69.89	396.81	9.63	-60.26
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCC1)C1=CSC=C1	REAL300013822910	0	51	0.0	-58.34	390.78	7.56	-50.78
CC[NH+](CC)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CSC=C1	REAL300013822911	0	54	0.0	-70.54	406.51	8.76	-61.78
CC[NH+](CC)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CSC=C1	REAL300013822912	0	54	0.0	-71.41	393.07	9.73	-61.68
CC[NH+](CC)C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1=CSC=C1	REAL300013822913	0	59	0.0	-62.40	432.15	8.57	-53.83
CC[NH+](CC)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CSC=C1	REAL300013822914	0	51	0.0	-57.27	394.76	9.57	-47.70
CC[NH+](CC)C(CNC(=O)N1CCC(COC)(C(=O)[O-])C1)C1=CSC=C1	REAL300013822915	0	55	0.0	-72.17	417.05	7.00	-65.17
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013822916	0	48	0.0	-64.38	368.92	7.91	-56.47
CC[NH+](CC)C(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C1=CSC=C1	REAL300013822917	0	56	0.0	-70.59	419.25	6.65	-63.94
CC[NH+](CC)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013822918	0	51	0.0	-75.99	380.21	9.60	-66.39
CC[NH+](CC)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013822919	0	51	0.0	-77.24	375.69	9.02	-68.22
CC[NH+](CC)C(CNC(=O)NC1CC(C(=O)[O-])C1)C1=CSC=C1	REAL300013822920	0	48	0.0	-67.00	374.94	6.92	-60.08
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013822921	0	48	0.0	-68.15	365.24	7.36	-60.79
CC[NH+](CC)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CSC=C1	REAL300013822922	0	51	0.0	-70.45	402.87	9.32	-61.13
CCC(CNC(=O)NCC(C1=CSC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300013822923	0	50	0.0	-56.80	376.69	8.20	-48.60
CC[NH+](CC)C(CNC(=O)N1CCCCC1CCC(=O)[O-])C1=CSC=C1	REAL300013822924	0	57	0.0	-77.13	414.56	10.15	-66.98
CC[NH+](CC)C(CNC(=O)NCCCCCCCC(=O)[O-])C1=CSC=C1	REAL300013822925	0	59	0.0	-73.04	452.53	9.44	-63.60
CC[NH+](CC)C(CNC(=O)NCCCCCCC(=O)[O-])C1=CSC=C1	REAL300013822926	0	56	0.0	-73.65	427.55	9.71	-63.94
CC[NH+](CC)C(CNC(=O)N(C)CCCC(=O)[O-])C1=CSC=C1	REAL300013822927	0	50	0.0	-68.29	378.59	9.42	-58.87
CC[NH+](CC)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CSC=C1	REAL300013822928	0	54	0.0	-75.53	386.25	9.90	-65.63
CC[NH+](CC)C(CNC(=O)N1CCCC(COC)(C(=O)[O-])C1)C1=CSC=C1	REAL300013822929	0	58	0.0	-79.80	418.69	9.04	-70.76
CC[NH+](CC)C(CNC(=O)N(CCOC)CCC(=O)[O-])C1=CSC=C1	REAL300013822930	0	54	0.0	-49.41	410.17	8.80	-40.61
CC[NH+](CC)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C1=CSC=C1	REAL300013822931	0	57	0.0	-73.89	424.64	10.34	-63.55
CC[NH+](CC)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1=CSC=C1	REAL300013822932	0	52	0.0	-69.79	391.86	8.52	-61.27
CC[NH+](CC)C(CNC(=O)N1CC(C(=O)[O-])CCC1C)C1=CSC=C1	REAL300013822933	0	54	0.0	-52.04	392.89	10.43	-41.61
CC[NH+](CC)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CSC=C1	REAL300013822934	0	52	0.0	-71.93	381.00	6.71	-65.22
CC[NH+](CC)C(CNC(=O)N1CCC(COC)(C(=O)[O-])CC1)C1=CSC=C1	REAL300013822935	0	58	0.0	-73.94	422.18	9.82	-64.12
CC[NH+](CC)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C1=CSC=C1	REAL300013822936	0	49	0.0	-76.01	380.24	7.97	-68.04
CC[NH+](CC)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1=CSC=C1	REAL300013822937	0	60	0.0	-67.61	424.78	10.07	-57.54
CC[NH+](CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1=CSC=C1	REAL300013822938	0	54	0.0	-62.57	400.97	8.46	-54.11
CC[NH+](CC)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CSC=C1	REAL300013822939	0	57	0.0	-73.43	428.82	8.85	-64.58
CC[NH+](CC)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)C1=CSC=C1	REAL300013822940	0	54	0.0	-62.54	398.79	9.42	-53.12
CC[NH+](CC)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C1=CSC=C1	REAL300013822941	0	55	0.0	-70.37	415.17	8.81	-61.56
CC[NH+](CC)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013822942	0	54	0.0	-66.49	400.17	8.52	-57.97
CC[NH+](CC)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)C1=CSC=C1	REAL300013822943	0	54	0.0	-67.58	402.88	9.14	-58.44
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C1=CSC=C1	REAL300013822944	0	55	0.0	-61.72	410.43	6.44	-55.28
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)C1=CSC=C1	REAL300013822945	0	52	0.0	-61.26	396.54	5.69	-55.57
CC[NH+](CC)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CSC=C1	REAL300013822946	0	49	0.0	-66.49	373.72	8.04	-58.45
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CC1)C1=CSC=C1	REAL300013822947	0	48	0.0	-49.68	368.67	8.18	-41.50
CC[NH+](CC)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1=CSC=C1	REAL300013822948	0	55	0.0	-59.86	408.57	9.11	-50.75
CC[NH+](CC)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CSC=C1	REAL300013822949	0	52	0.0	-73.76	385.56	9.04	-64.72
CC[NH+](CC)C(CNC(=O)N1CC(C(=O)[O-])C1)C1=CSC=C1	REAL300013822950	0	45	0.0	-61.81	351.24	7.97	-53.84
CC[NH+](CC)C(CNC(=O)N1CC(OC)CC(C(=O)[O-])C1)C1=CSC=C1	REAL300013822951	0	55	0.0	-76.76	411.90	7.86	-68.90
CC[NH+](CC)C(CNC(=O)N1CCC(C(=O)[O-])C1)C1=CSC=C1	REAL300013822952	0	48	0.0	-71.36	366.13	8.74	-62.62
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CSC=C1	REAL300013822953	0	49	0.0	-73.85	382.57	7.58	-66.27
CC[NH+](CC)C(CNC(=O)NC(C)CCC(=O)[O-])C1=CSC=C1	REAL300013822954	0	50	0.0	-60.87	382.80	8.38	-52.49
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013822955	0	57	0.0	-70.28	393.43	9.22	-61.06
CC(C)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCC(C)CC1	REAL300013822956	0	57	0.0	-74.09	417.41	8.87	-65.22
CC(C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013822957	0	55	0.0	-56.34	387.06	7.73	-48.61
CC(C)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013822958	0	60	0.0	-63.86	416.90	9.93	-53.93
CC(C)C(CNC(=O)NCCCCC(=O)[O-])[NH+]1CCC(C)CC1	REAL300013822959	0	56	0.0	-71.29	400.97	8.73	-62.56
CC(C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCC(C)CC1	REAL300013822960	0	57	0.0	-72.28	420.02	9.87	-62.41
CC(C)C(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCC(C)CC1	REAL300013822961	0	59	0.0	-70.79	425.25	9.34	-61.45
CC(C)C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300013822962	0	56	0.0	-70.93	393.41	8.61	-62.32
CC(C)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013822963	0	57	0.0	-73.62	397.66	8.88	-64.74
CC(C)C(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013822964	0	60	0.0	-74.78	409.92	11.17	-63.61
CC(C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013822965	0	60	0.0	-70.06	409.47	10.57	-59.49
CC(C)C(CNC(=O)NCCCC(=O)[O-])[NH+]1CCC(C)CC1	REAL300013822966	0	53	0.0	-66.53	382.25	7.77	-58.76
CC(C)C(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013822967	0	60	0.0	-75.63	410.10	9.72	-65.91
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCC(C)CC1	REAL300013822968	0	61	0.0	-59.69	422.34	7.92	-51.77
CC(C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300013822969	0	59	0.0	-67.37	415.28	8.79	-58.58
CCC(CC)(CNC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013822970	0	62	0.0	-61.70	427.84	9.46	-52.24
CC(C)C(CNC(=O)NCC(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300013822971	0	53	0.0	-68.47	376.51	7.91	-60.56
CC(C)C(CNC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013822972	0	59	0.0	-56.41	415.26	9.11	-47.30
CC(C)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCC(C)CC1	REAL300013822973	0	66	0.0	-72.85	451.06	10.38	-62.47
CC(C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300013822974	0	63	0.0	-60.70	447.21	11.28	-49.42
CC(C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013822975	0	57	0.0	-64.18	400.26	9.57	-54.61
CC(C)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013822976	0	63	0.0	-72.51	434.28	10.70	-61.81
CC(C)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013822977	0	59	0.0	-69.76	413.68	8.40	-61.36
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCC(C)CC1	REAL300013822978	0	60	0.0	-59.49	420.71	9.83	-49.66
CC(C)C(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[NH+]1CCC(C)CC1	REAL300013822979	0	60	0.0	-67.56	407.26	9.99	-57.57
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCC1)[NH+]1CCC(C)CC1	REAL300013822980	0	57	0.0	-56.53	400.77	8.14	-48.39
CC(C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCC(C)CC1	REAL300013822981	0	60	0.0	-69.68	425.51	9.98	-59.70
CC(C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013822982	0	60	0.0	-70.06	409.47	10.57	-59.49
CC(C)C[C@H](CNC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)CC(=O)[O-]	REAL300013822983	0	65	0.0	-66.38	447.91	10.19	-56.19
CC(C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300013822984	0	57	0.0	-63.64	413.62	9.99	-53.65
COCC1(C(=O)[O-])CCN(C(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C1	REAL300013822985	0	61	0.0	-70.59	431.24	7.94	-62.65
CC(C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013822986	0	54	0.0	-65.81	383.84	8.31	-57.50
CC(C)C(CNC(=O)NC1CCN(CC(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013822987	0	62	0.0	-69.83	435.68	7.46	-62.37
CC(C)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013822988	0	57	0.0	-74.96	392.77	10.77	-64.19
CC(C)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013822989	0	57	0.0	-75.63	386.27	9.87	-65.76
CC(C)C(CNC(=O)NC1CC(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013822990	0	54	0.0	-65.99	383.47	8.37	-57.62
CC(C)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013822991	0	54	0.0	-68.21	380.62	8.49	-59.72
CC(C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCC(C)CC1	REAL300013822992	0	57	0.0	-72.28	420.02	9.87	-62.41
CCC(CNC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013822993	0	56	0.0	-55.99	398.47	8.62	-47.37
CC(C)C(CNC(=O)N1CCCCC1CCC(=O)[O-])[NH+]1CCC(C)CC1	REAL300013822994	0	63	0.0	-79.23	427.13	10.62	-68.61
CC(C)C(CNC(=O)NCCCCCCCC(=O)[O-])[NH+]1CCC(C)CC1	REAL300013822995	0	65	0.0	-72.87	468.25	10.90	-61.97
CC(C)C(CNC(=O)NCCCCCCC(=O)[O-])[NH+]1CCC(C)CC1	REAL300013822996	0	62	0.0	-73.51	446.75	10.12	-63.39
CC(C)C(CNC(=O)N(C)CCCC(=O)[O-])[NH+]1CCC(C)CC1	REAL300013822997	0	56	0.0	-71.26	399.40	10.14	-61.12
CC(C)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013822998	0	60	0.0	-77.23	409.66	10.04	-67.19
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)C1	REAL300013822999	0	64	0.0	-80.97	441.06	9.80	-71.17
COCCN(CCC(=O)[O-])C(=O)NCC(C(C)C)[NH+]1CCC(C)CC1	REAL300013823000	0	60	0.0	-49.35	425.23	9.52	-39.83
CC(C)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013823001	0	63	0.0	-77.11	435.05	10.72	-66.39
CC(C)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013823002	0	61	0.0	-74.92	427.28	12.03	-62.89
CC(C)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013823003	0	58	0.0	-69.49	409.75	9.03	-60.46
CC(C)C(CNC(=O)N1CC(C(=O)[O-])CCC1C)[NH+]1CCC(C)CC1	REAL300013823004	0	60	0.0	-52.08	408.98	9.83	-42.25
CC(C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013823005	0	58	0.0	-73.43	404.27	6.84	-66.59
CC(C)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)[NH+]1CCC(C)CC1	REAL300013823006	0	61	0.0	-70.80	441.07	11.11	-59.69
CC(C)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)[NH+]1CCC(C)CC1	REAL300013823007	0	64	0.0	-81.89	446.70	10.09	-71.80
COCC1(C(=O)[O-])CCN(C(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)CC1	REAL300013823008	0	64	0.0	-73.24	441.48	9.69	-63.55
CC(C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[NH+]1CCC(C)CC1	REAL300013823009	0	55	0.0	-73.60	397.62	8.55	-65.05
CC(C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)[NH+]1CCC(C)CC1	REAL300013823010	0	66	0.0	-64.85	440.83	10.71	-54.14
CC(C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013823011	0	60	0.0	-62.35	415.54	9.98	-52.37
CC(C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013823012	0	63	0.0	-73.20	442.56	10.26	-62.94
CC(C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013823013	0	60	0.0	-63.82	411.97	9.92	-53.90
CC(C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)[NH+]1CCC(C)CC1	REAL300013823014	0	61	0.0	-75.26	428.51	9.32	-65.94
CC(C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013823015	0	60	0.0	-64.37	416.95	9.92	-54.45
CC(C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013823016	0	60	0.0	-64.37	416.95	9.92	-54.45
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)[NH+]1CCC(C)CC1	REAL300013823017	0	61	0.0	-52.96	421.80	8.32	-44.64
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CC(C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCC(C)CC1	REAL300013823019	0	55	0.0	-66.09	397.41	9.08	-57.01
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CC[NH+](CC)C(C)CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013823168	0	57	0.0	-71.70	409.95	8.68	-63.02
CC[NH+](CC)C(C)CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013823169	0	47	0.0	-69.66	359.89	6.81	-62.85
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CC[NH+](CC)C(C)CNC(=O)NCCCCCCC(=O)[O-]	REAL300013823172	0	52	0.0	-74.02	386.34	7.02	-67.00
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CC1(C(=O)[O-])CCN(C(=O)NCC[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300013823204	0	49	0.0	-78.92	376.52	8.79	-70.13
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CC1(C(=O)[O-])CCN(C(=O)NCC[N@H+]2CCC3=CC=CC=C3C2)CC1	REAL300013823206	1	52	0.0	-78.72	383.11	9.54	-69.18
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CC1CCN(C(=O)NCC[N@H+]2CCC3=CC=CC=C3C2)CC1C(=O)[O-]	REAL300013823208	1	52	0.0	-61.16	385.61	9.67	-51.49
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CN(C)C1=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=[NH+]1	REAL300013823349	0	44	0.0	-70.26	365.11	6.71	-63.55
CN(C)C1=CC(CNC(=O)NCCCCCC(=O)[O-])=CC=[NH+]1	REAL300013823350	0	46	0.0	-68.57	371.60	6.15	-62.42
CN(C)C1=CC(CNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=CC=[NH+]1	REAL300013823351	0	54	0.0	-67.53	414.46	10.44	-57.09
CN(C)C1=CC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)=CC=[NH+]1	REAL300013823352	0	44	0.0	-72.05	345.74	6.76	-65.29
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C1	REAL300013823353	0	47	0.0	-53.29	358.88	7.95	-45.34
CN(C)C1=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=CC=[NH+]1	REAL300013823354	0	47	0.0	-68.55	355.04	7.42	-61.13
CC1CCN(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)CC1C(=O)[O-]	REAL300013823355	0	47	0.0	-53.00	352.96	7.35	-45.65
CN(C)C1=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=CC=[NH+]1	REAL300013823356	0	48	0.0	-56.61	369.68	4.57	-52.04
CN(C)C1=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=CC=[NH+]1	REAL300013823357	0	46	0.0	-65.38	360.63	5.50	-59.88
CCC(CC)(CNC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300013823358	0	49	0.0	-57.07	368.61	6.48	-50.59
CC(C)C(CNC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300013823359	0	46	0.0	-59.86	363.51	5.79	-54.07
CC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013823360	0	53	0.0	-72.38	403.74	7.66	-64.72
CN(C)C1=CC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=[NH+]1	REAL300013823361	0	50	0.0	-58.66	392.69	8.15	-50.51
CN(C)C1=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=[NH+]1	REAL300013823362	0	44	0.0	-61.92	348.79	5.86	-56.06
CN(C)C1=CC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)=CC=[NH+]1	REAL300013823363	0	50	0.0	-68.19	382.25	8.58	-59.61
CN(C)C1=CC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=CC=[NH+]1	REAL300013823364	0	46	0.0	-69.21	360.71	5.29	-63.92
CN(C)C1=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=CC=[NH+]1	REAL300013823365	0	47	0.0	-58.52	367.18	6.70	-51.82
CC1CN(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)CCC1C(=O)[O-]	REAL300013823366	0	47	0.0	-65.31	355.68	7.80	-57.51
CN(C)C1=CC(CNC(=O)NCC2(C(=O)[O-])CCC2)=CC=[NH+]1	REAL300013823367	0	44	0.0	-56.65	349.11	5.83	-50.82
CN(C)C1=CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)=CC=[NH+]1	REAL300013823368	0	47	0.0	-68.96	373.38	6.72	-62.24
CN(C)C1=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=CC=[NH+]1	REAL300013823369	0	47	0.0	-68.55	355.04	7.42	-61.13
CC(C)C[C@H](CNC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)CC(=O)[O-]	REAL300013823370	0	52	0.0	-66.18	394.22	7.06	-59.12
CN(C)C1=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=CC=[NH+]1	REAL300013823371	0	44	0.0	-64.07	358.75	6.86	-57.21
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C1	REAL300013823372	0	48	0.0	-70.62	379.09	5.79	-64.83
CN(C)C1=CC(CNC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=CC=[NH+]1	REAL300013823374	0	54	0.0	-75.52	424.51	8.44	-67.08
CN(C)C1=CC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=[NH+]1	REAL300013823375	0	44	0.0	-52.95	341.67	7.10	-45.85
CN(C)C1=CC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=[NH+]1	REAL300013823376	0	44	0.0	-72.41	342.22	7.13	-65.28
CN(C)C1=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=[NH+]1	REAL300013823377	0	44	0.0	-70.26	365.11	6.71	-63.55
COC(=O)C1CC2(C1)CN(C(=O)NCC1=CC=[NH+]C(N(C)C)=C1)CC2C(=O)[O-]	REAL300013823378	0	54	0.0	-56.48	422.05	8.38	-48.10
CN(C)C1=CC(CNC(=O)N2CCCCC2CCC(=O)[O-])=CC=[NH+]1	REAL300013823379	0	50	0.0	-75.61	376.58	8.51	-67.10
CN(C)C1=CC(CNC(=O)NCCCCCCCC(=O)[O-])=CC=[NH+]1	REAL300013823380	0	52	0.0	-70.82	413.36	7.78	-63.04
CN(C)C1=CC(CNC(=O)NCCCCCCC(=O)[O-])=CC=[NH+]1	REAL300013823381	0	49	0.0	-71.66	392.22	6.97	-64.69
CN(C)C1=CC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=[NH+]1	REAL300013823382	0	47	0.0	-73.24	357.06	7.86	-65.38
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C1	REAL300013823383	0	51	0.0	-77.16	388.90	7.05	-70.11
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300013823384	0	47	0.0	-51.82	378.02	6.40	-45.42
CN(C)C1=CC(CNC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=CC=[NH+]1	REAL300013823385	0	53	0.0	-74.32	415.57	8.54	-65.78
CN(C)C1=CC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)=CC=[NH+]1	REAL300013823386	0	50	0.0	-72.71	381.77	8.56	-64.15
CN(C)C1=CC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=CC=[NH+]1	REAL300013823387	0	48	0.0	-74.97	374.10	9.90	-65.07
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)CCO1	REAL300013823388	0	55	0.0	-70.94	431.29	6.69	-64.25
CN(C)C1=CC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)=CC=[NH+]1	REAL300013823389	0	45	0.0	-62.17	355.61	5.84	-56.33
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=[NH+]C(N(C)C)=C1	REAL300013823390	0	47	0.0	-53.19	358.51	7.64	-45.55
CN(C)C1=CC(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=CC=[NH+]1	REAL300013823391	0	51	0.0	-59.95	405.76	9.68	-50.27
CN(C)C1=CC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)=CC=[NH+]1	REAL300013823392	0	45	0.0	-70.25	351.07	4.70	-65.55
CN(C)C1=CC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=CC=[NH+]1	REAL300013823393	0	48	0.0	-68.40	388.19	7.97	-60.43
CN(C)C1=CC(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)=CC=[NH+]1	REAL300013823394	0	51	0.0	-79.53	393.46	6.98	-72.55
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)CC1	REAL300013823395	0	51	0.0	-70.17	386.64	6.53	-63.64
CN(C)C1=CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=[NH+]1	REAL300013823396	0	42	0.0	-72.14	343.92	5.43	-66.71
CN(C)C1=CC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)=CC=[NH+]1	REAL300013823397	0	53	0.0	-65.29	388.26	7.43	-57.86
CN(C)C1=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=CC=[NH+]1	REAL300013823398	0	47	0.0	-61.62	363.25	6.76	-54.86
CN(C)C1=CC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=CC=[NH+]1	REAL300013823399	0	50	0.0	-69.87	386.57	7.12	-62.75
CN(C)C1=CC(CNC(=O)N2CCC(CC(=O)[O-])CC2)=CC=[NH+]1	REAL300013823400	0	47	0.0	-61.45	360.92	7.81	-53.64
CN(C)C1=CC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)=CC=[NH+]1	REAL300013823401	0	48	0.0	-69.56	376.07	7.19	-62.37
CN(C)C1=CC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=CC=[NH+]1	REAL300013823402	0	47	0.0	-65.94	367.21	6.40	-59.54
CN(C)C1=CC(CNC(=O)NC2CCCC(C(=O)[O-])C2)=CC=[NH+]1	REAL300013823403	0	47	0.0	-65.93	367.59	6.41	-59.52
CN(C)C1=CC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)=CC=[NH+]1	REAL300013823404	0	48	0.0	-56.80	370.06	4.99	-51.81
CN(C)C1=CC(CNC(=O)NCC2(C(=O)[O-])CCOC2)=CC=[NH+]1	REAL300013823405	0	45	0.0	-58.14	355.75	3.92	-54.22
CN(C)C1=CC(CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=CC=[NH+]1	REAL300013823406	0	56	0.0	-70.38	440.34	9.14	-61.24
CN(C)C1=CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=[NH+]1	REAL300013823407	0	42	0.0	-65.34	343.96	5.90	-59.44
CN(C)C1=CC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=CC=[NH+]1	REAL300013823408	0	48	0.0	-59.82	372.20	7.96	-51.86
CN(C)C1=CC(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=CC=[NH+]1	REAL300013823409	0	44	0.0	-61.76	362.23	6.97	-54.79
CN(C)C1=CC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)=CC=[NH+]1	REAL300013823410	0	45	0.0	-73.51	349.71	6.40	-67.11
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=[NH+]C(N(C)C)=C2)C1	REAL300013823411	0	48	0.0	-55.61	373.02	6.24	-49.37
CN(C)C1=CC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=[NH+]1	REAL300013823412	0	42	0.0	-71.69	344.94	5.94	-65.75
CN(C)C1=CC=C(CNC(=O)N2CCC(C(=O)[O-])CC2)C=[NH+]1	REAL300013823413	1	44	0.0	-65.16	341.34	7.09	-58.07
CN(C)C1=CC=C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=[NH+]1	REAL300013823414	1	44	0.0	-70.23	365.43	6.72	-63.51
CN(C)C1=CC=C(CNC(=O)N2CCOC(C(=O)[O-])C2)C=[NH+]1	REAL300013823415	1	42	0.0	-71.59	334.51	5.55	-66.04
CN(C)C1=CC=C(CNC(=O)NC2CCC(C(=O)[O-])CC2)C=[NH+]1	REAL300013823416	1	47	0.0	-71.66	368.08	6.41	-65.25
CN(C)C1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300013823417	1	44	0.0	-70.38	365.09	6.74	-63.64
CN(C)C1=CC=C(CNC(=O)NCCCCCC(=O)[O-])C=[NH+]1	REAL300013823418	1	46	0.0	-67.88	370.67	6.17	-61.71
CN(C)C1=CC=C(CNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C=[NH+]1	REAL300013823419	1	54	0.0	-66.55	413.93	10.20	-56.35
CN(C)C1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C=[NH+]1	REAL300013823420	1	44	0.0	-69.07	344.95	6.70	-62.37
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C1	REAL300013823421	1	47	0.0	-52.12	357.84	7.92	-44.20
CN(C)C1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=[NH+]1	REAL300013823422	1	47	0.0	-65.80	354.58	7.38	-58.42
CC1CCN(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)CC1C(=O)[O-]	REAL300013823423	1	47	0.0	-52.20	356.83	7.56	-44.64
CN(C)C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=[NH+]1	REAL300013823424	1	48	0.0	-54.92	369.64	4.55	-50.37
CN(C)C1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=[NH+]1	REAL300013823425	1	46	0.0	-64.64	361.84	5.46	-59.18
CCC(CC)(CNC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013823426	1	49	0.0	-57.42	372.91	6.32	-51.10
CC(C)C(CNC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013823427	1	46	0.0	-55.47	357.82	5.86	-49.61
CC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013823428	1	53	0.0	-70.61	400.46	7.17	-63.44
CN(C)C1=CC=C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300013823429	1	50	0.0	-58.22	397.52	7.94	-50.28
CN(C)C1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300013823430	1	44	0.0	-61.12	349.10	5.87	-55.25
CN(C)C1=CC=C(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C=[NH+]1	REAL300013823431	1	50	0.0	-69.89	381.42	8.55	-61.34
CN(C)C1=CC=C(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C=[NH+]1	REAL300013823432	1	46	0.0	-66.38	359.76	5.34	-61.04
CN(C)C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300013823433	1	47	0.0	-56.61	366.13	6.66	-49.95
CC1CN(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)CCC1C(=O)[O-]	REAL300013823434	1	47	0.0	-65.25	354.74	7.83	-57.42
CN(C)C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCC2)C=[NH+]1	REAL300013823435	1	44	0.0	-54.93	350.04	5.83	-49.10
CN(C)C1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C=[NH+]1	REAL300013823436	1	47	0.0	-68.17	374.16	6.60	-61.57
CN(C)C1=CC=C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C=[NH+]1	REAL300013823437	1	47	0.0	-65.80	354.58	7.38	-58.42
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)CC(=O)[O-]	REAL300013823438	1	52	0.0	-63.10	393.51	7.00	-56.10
CN(C)C1=CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=[NH+]1	REAL300013823439	1	44	0.0	-61.55	359.06	6.82	-54.73
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C1	REAL300013823440	1	48	0.0	-70.76	378.08	6.61	-64.15
CN(C)C1=CC=C(CNC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)C=[NH+]1	REAL300013823442	1	54	0.0	-74.31	425.81	8.40	-65.91
CN(C)C1=CC=C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300013823443	1	44	0.0	-52.51	341.62	7.08	-45.43
CN(C)C1=CC=C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C=[NH+]1	REAL300013823444	1	44	0.0	-71.40	342.17	7.11	-64.29
CN(C)C1=CC=C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=[NH+]1	REAL300013823445	1	44	0.0	-70.38	365.09	6.74	-63.64
COC(=O)C1CC2(C1)CN(C(=O)NCC1=CC=C(N(C)C)[NH+]=C1)CC2C(=O)[O-]	REAL300013823446	1	54	0.0	-62.61	425.98	8.59	-54.02
CN(C)C1=CC=C(CNC(=O)N2CCCCC2CCC(=O)[O-])C=[NH+]1	REAL300013823447	1	50	0.0	-73.76	376.76	8.44	-65.32
CN(C)C1=CC=C(CNC(=O)NCCCCCCCC(=O)[O-])C=[NH+]1	REAL300013823448	1	52	0.0	-70.06	413.67	7.74	-62.32
CN(C)C1=CC=C(CNC(=O)NCCCCCCC(=O)[O-])C=[NH+]1	REAL300013823449	1	49	0.0	-70.97	391.78	6.95	-64.02
CN(C)C1=CC=C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C=[NH+]1	REAL300013823450	1	47	0.0	-72.70	357.01	7.87	-64.83
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(N(C)C)[NH+]=C2)C1	REAL300013823451	1	51	0.0	-76.06	386.86	7.77	-68.29
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(N(C)C)[NH+]=C1	REAL300013823452	1	47	0.0	-51.49	376.98	6.37	-45.12
CN(C)C1=CC=C(CNC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C=[NH+]1	REAL300013823453	1	53	0.0	-73.41	414.62	8.62	-64.79
CN(C)C1=CC=C(CNC(=O)N2CCCC(CCC(=O)[O-])C2)C=[NH+]1	REAL300013823454	1	50	0.0	-71.91	382.50	8.54	-63.37
CN(C)C1=CC=C(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C=[NH+]1	REAL300013823455	1	48	0.0	-74.11	374.00	9.86	-64.25
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C[NH+](C)C(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1CCCCC1	REAL300013823595	0	61	0.0	-63.77	436.71	12.28	-51.49
C[NH+](C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1CCCCC1	REAL300013823596	0	55	0.0	-58.36	383.39	7.26	-51.10
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1CCCCC1	REAL300013823597	0	58	0.0	-72.11	415.62	10.26	-61.85
C[NH+](C)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1CCCCC1	REAL300013823598	0	61	0.0	-81.15	426.17	9.57	-71.58
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2CCCCC2)[NH+](C)C)CC1	REAL300013823599	0	61	0.0	-80.94	420.23	9.15	-71.79
C[NH+](C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C1CCCCC1	REAL300013823600	0	52	0.0	-80.64	372.82	8.57	-72.07
C[NH+](C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1CCCCC1	REAL300013823601	0	63	0.0	-75.65	419.11	10.66	-64.99
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1CCCCC1	REAL300013823602	0	57	0.0	-63.51	395.62	9.38	-54.13
C[NH+](C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1CCCCC1	REAL300013823603	0	60	0.0	-77.77	416.94	10.22	-67.55
C[NH+](C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)C1CCCCC1	REAL300013823604	0	57	0.0	-77.71	391.40	10.36	-67.35
C[NH+](C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C1CCCCC1	REAL300013823605	0	58	0.0	-77.83	407.98	9.76	-68.07
C[NH+](C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300013823606	0	57	0.0	-74.61	398.51	9.53	-65.08
C[NH+](C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300013823607	0	57	0.0	-67.00	395.53	9.31	-57.69
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C1CCCCC1	REAL300013823608	0	58	0.0	-60.63	401.96	7.49	-53.14
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)C1CCCCC1	REAL300013823609	0	55	0.0	-57.57	386.70	6.43	-51.14
C[NH+](C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CCCCC1	REAL300013823610	0	52	0.0	-71.20	376.28	8.44	-62.76
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CC1)C1CCCCC1	REAL300013823611	0	51	0.0	-56.85	364.92	7.97	-48.88
C[NH+](C)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1CCCCC1	REAL300013823612	0	58	0.0	-62.97	401.90	10.40	-52.57
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1CCCCC1	REAL300013823613	0	54	0.0	-69.14	394.12	9.46	-59.68
C[NH+](C)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C1CCCCC1	REAL300013823614	0	55	0.0	-79.87	381.42	8.95	-70.92
COC1CC(C(=O)[O-])CN(C(=O)NCC(C2CCCCC2)[NH+](C)C)C1	REAL300013823615	0	58	0.0	-81.64	405.42	9.34	-72.30
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])C1)C1CCCCC1	REAL300013823616	0	51	0.0	-75.59	361.78	8.94	-66.65
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CCCCC1	REAL300013823617	0	52	0.0	-77.61	375.52	8.45	-69.16
CC(CCC(=O)[O-])NC(=O)NCC(C1CCCCC1)[NH+](C)C	REAL300013823618	0	53	0.0	-66.18	379.85	8.27	-57.91
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)N(C)C1=CC=CC=C1	REAL300013823650	1	53	0.0	-34.87	399.25	7.70	-27.17
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)C1=CSC=C1	REAL300013823694	0	45	0.0	-70.92	352.15	7.81	-63.11
C[NH+](C)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1=CSC=C1	REAL300013823695	0	45	0.0	-77.56	376.03	7.42	-70.14
C[NH+](C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)C1=CSC=C1	REAL300013823696	0	43	0.0	-77.22	345.31	6.28	-70.94
C[NH+](C)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)C1=CSC=C1	REAL300013823697	0	48	0.0	-79.36	375.08	8.00	-71.36
C[NH+](C)C(CNC(=O)NCCCCC(=O)[O-])C1=CSC=C1	REAL300013823698	0	44	0.0	-75.70	360.14	6.12	-69.58
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CSC=C1	REAL300013823699	0	45	0.0	-73.08	372.45	8.31	-64.77
C[NH+](C)C(CNC(=O)NCCCCCC(=O)[O-])C1=CSC=C1	REAL300013823700	0	47	0.0	-75.01	381.62	6.90	-68.11
C[NH+](C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1=CSC=C1	REAL300013823701	0	44	0.0	-75.10	352.58	6.00	-69.10
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C1=CSC=C1	REAL300013823702	0	45	0.0	-75.01	359.58	7.40	-67.61
CC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CSC=C2)[NH+](C)C)C1	REAL300013823703	0	48	0.0	-62.62	368.79	8.65	-53.97
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CSC=C1	REAL300013823704	0	48	0.0	-74.44	366.17	8.09	-66.35
CC1CCN(C(=O)NCC(C2=CSC=C2)[NH+](C)C)CC1C(=O)[O-]	REAL300013823705	0	48	0.0	-76.40	368.10	8.27	-68.13
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CSC=C1	REAL300013823706	0	49	0.0	-62.90	378.35	5.47	-57.43
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CSC=C1	REAL300013823707	0	47	0.0	-71.87	371.92	6.22	-65.65
CCC(CC)(CNC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300013823708	0	50	0.0	-65.15	383.07	7.35	-57.80
CC(C)C(CNC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300013823709	0	47	0.0	-67.27	374.41	6.49	-60.78
CC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013823710	0	54	0.0	-77.43	409.93	7.90	-69.53
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300013823711	0	51	0.0	-63.07	403.59	8.86	-54.21
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013823712	0	45	0.0	-68.43	359.69	6.57	-61.86
C[NH+](C)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C1=CSC=C1	REAL300013823713	0	51	0.0	-74.71	393.02	9.29	-65.42
C[NH+](C)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1=CSC=C1	REAL300013823714	0	47	0.0	-73.96	370.38	5.95	-68.01
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CSC=C1	REAL300013823715	0	48	0.0	-62.59	376.72	7.36	-55.23
CC1CN(C(=O)NCC(C2=CSC=C2)[NH+](C)C)CCC1C(=O)[O-]	REAL300013823716	0	48	0.0	-71.01	365.61	8.56	-62.45
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCC1)C1=CSC=C1	REAL300013823717	0	45	0.0	-61.60	359.64	6.52	-55.08
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CSC=C1	REAL300013823718	0	48	0.0	-73.18	383.43	7.37	-65.81
C[NH+](C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CSC=C1	REAL300013823719	0	48	0.0	-74.44	366.17	8.09	-66.35
CC(C)C[C@H](CNC(=O)NCC(C1=CSC=C1)[NH+](C)C)CC(=O)[O-]	REAL300013823720	0	53	0.0	-70.42	403.98	7.71	-62.71
C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CSC=C1	REAL300013823721	0	45	0.0	-66.17	369.63	7.54	-58.63
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CSC=C2)[NH+](C)C)C1	REAL300013823722	0	49	0.0	-74.00	390.45	6.52	-67.48
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013823723	0	42	0.0	-70.32	343.72	5.88	-64.44
C[NH+](C)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013823725	0	45	0.0	-75.77	352.30	7.79	-67.98
C[NH+](C)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013823726	0	45	0.0	-76.23	352.86	7.82	-68.41
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C1)C1=CSC=C1	REAL300013823727	0	42	0.0	-68.74	340.20	6.78	-61.96
C[NH+](C)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013823728	0	42	0.0	-73.07	339.98	6.82	-66.25
C[NH+](C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CSC=C1	REAL300013823729	0	45	0.0	-73.08	372.45	8.31	-64.77
CCC(CNC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300013823730	0	44	0.0	-64.70	352.22	6.20	-58.50
C[NH+](C)C(CNC(=O)N1CCCCC1CCC(=O)[O-])C1=CSC=C1	REAL300013823731	0	51	0.0	-76.38	386.00	9.22	-67.16
C[NH+](C)C(CNC(=O)NCCCCCCCC(=O)[O-])C1=CSC=C1	REAL300013823732	0	53	0.0	-76.99	424.62	8.47	-68.52
C[NH+](C)C(CNC(=O)NCCCCCCC(=O)[O-])C1=CSC=C1	REAL300013823733	0	50	0.0	-77.62	403.12	7.68	-69.94
CN(CCCC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300013823734	0	44	0.0	-73.15	356.26	7.73	-65.42
C[NH+](C)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CSC=C1	REAL300013823735	0	48	0.0	-76.92	367.63	8.57	-68.35
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C2=CSC=C2)[NH+](C)C)C1	REAL300013823736	0	52	0.0	-81.22	400.07	7.70	-73.52
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300013823737	0	48	0.0	-62.16	387.95	7.09	-55.07
C[NH+](C)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C1=CSC=C1	REAL300013823738	0	51	0.0	-77.47	393.11	9.28	-68.19
C[NH+](C)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1=CSC=C1	REAL300013823739	0	49	0.0	-73.26	385.42	10.57	-62.69
C[NH+](C)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1=CSC=C1	REAL300013823740	0	46	0.0	-71.90	365.58	6.54	-65.36
CC1CCC(C(=O)[O-])CN1C(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300013823741	0	48	0.0	-61.92	367.32	8.40	-53.52
C[NH+](C)C(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013823742	0	52	0.0	-67.37	415.94	10.42	-56.95
C[NH+](C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CSC=C1	REAL300013823743	0	46	0.0	-74.23	362.38	5.37	-68.86
C[NH+](C)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1=CSC=C1	REAL300013823744	0	49	0.0	-75.55	399.06	8.66	-66.89
C[NH+](C)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1=CSC=C1	REAL300013823745	0	52	0.0	-87.93	400.69	8.55	-79.38
COCC1(C(=O)[O-])CCN(C(=O)NCC(C2=CSC=C2)[NH+](C)C)CC1	REAL300013823746	0	52	0.0	-75.36	396.87	7.87	-67.49
C[NH+](C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C1=CSC=C1	REAL300013823747	0	43	0.0	-78.86	349.83	7.04	-71.82
C[NH+](C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1=CSC=C1	REAL300013823748	0	54	0.0	-71.53	399.62	8.13	-63.40
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1=CSC=C1	REAL300013823749	0	48	0.0	-67.80	373.26	7.50	-60.30
C[NH+](C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CSC=C1	REAL300013823750	0	51	0.0	-76.76	398.24	7.83	-68.93
C[NH+](C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)C1=CSC=C1	REAL300013823751	0	48	0.0	-74.77	370.71	8.51	-66.26
C[NH+](C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C1=CSC=C1	REAL300013823752	0	49	0.0	-74.71	387.24	7.90	-66.81
C[NH+](C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013823753	0	48	0.0	-72.37	375.00	8.00	-64.37
C[NH+](C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)C1=CSC=C1	REAL300013823754	0	48	0.0	-73.08	378.49	7.11	-65.97
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C1=CSC=C1	REAL300013823755	0	49	0.0	-69.10	383.78	5.97	-63.13
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)C1=CSC=C1	REAL300013823756	0	46	0.0	-65.03	365.41	4.65	-60.38
C[NH+](C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CSC=C1	REAL300013823757	0	43	0.0	-70.90	354.92	6.60	-64.30
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CC1)C1=CSC=C1	REAL300013823758	0	42	0.0	-60.00	343.54	6.15	-53.85
C[NH+](C)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1=CSC=C1	REAL300013823759	0	49	0.0	-66.84	382.14	8.65	-58.19
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1=CSC=C1	REAL300013823760	0	45	0.0	-68.97	373.22	7.67	-61.30
C[NH+](C)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CSC=C1	REAL300013823761	0	46	0.0	-64.99	360.67	7.04	-57.95
COC1CC(C(=O)[O-])CN(C(=O)NCC(C2=CSC=C2)[NH+](C)C)C1	REAL300013823762	0	49	0.0	-64.38	383.70	6.92	-57.46
C[NH+](C)C(CNC(=O)N1CCC(C(=O)[O-])C1)C1=CSC=C1	REAL300013823763	0	42	0.0	-73.67	335.78	7.82	-65.85
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CSC=C1	REAL300013823764	0	43	0.0	-77.23	354.85	6.64	-70.59
CC(CCC(=O)[O-])NC(=O)NCC(C1=CSC=C1)[NH+](C)C	REAL300013823765	0	44	0.0	-68.05	358.39	6.35	-61.70
CC(CNC(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCCC(C)C1	REAL300013823766	0	51	0.0	-69.19	363.72	8.36	-60.83
CC(CNC(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCCC(C)C1	REAL300013823766	1	51	0.0	-69.38	355.82	8.28	-61.10
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[N@@H+]1CCCC(C)C1	REAL300013823767	0	51	0.0	-73.72	386.53	7.93	-65.79
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[N@H+]1CCCC(C)C1	REAL300013823767	1	51	0.0	-73.59	386.82	7.95	-65.64
CC(CNC(=O)N1CCOC(C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823768	0	49	0.0	-57.00	357.14	7.09	-49.91
CC(CNC(=O)N1CCOC(C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823768	1	49	0.0	-75.06	348.78	6.76	-68.30
CC(CNC(=O)NC1CCC(C(=O)[O-])CC1)[N@@H+]1CCCC(C)C1	REAL300013823769	0	54	0.0	-75.80	389.16	7.62	-68.18
CC(CNC(=O)NC1CCC(C(=O)[O-])CC1)[N@H+]1CCCC(C)C1	REAL300013823769	1	54	0.0	-75.71	389.46	7.64	-68.07
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@@H+]1CCCC(C)C1	REAL300013823770	0	51	0.0	-73.19	381.37	8.28	-64.91
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@H+]1CCCC(C)C1	REAL300013823770	1	51	0.0	-73.36	386.82	7.94	-65.42
CC(CNC(=O)NCCCCCC(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300013823771	0	53	0.0	-70.69	386.66	7.73	-62.96
CC(CNC(=O)NCCCCCC(=O)[O-])[N@H+]1CCCC(C)C1	REAL300013823771	1	53	0.0	-71.41	393.38	7.71	-63.70
CC(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)[N@@H+]1CCCC(C)C1	REAL300013823772	0	61	0.0	-69.06	435.21	11.37	-57.69
CC(CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)[N@H+]1CCCC(C)C1	REAL300013823772	1	61	0.0	-67.50	428.86	11.62	-55.88
CC(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823773	0	51	0.0	-73.13	368.38	8.25	-64.88
CC(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823773	1	51	0.0	-70.28	368.28	8.25	-62.03
CC(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823774	0	54	0.0	-76.34	384.19	8.87	-67.47
CC(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823774	1	54	0.0	-52.26	372.32	9.17	-43.09
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@@H+]1CCCC(C)C1	REAL300013823775	0	54	0.0	-71.67	375.83	8.53	-63.14
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@H+]1CCCC(C)C1	REAL300013823775	1	54	0.0	-71.80	369.46	8.60	-63.20
CC(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823776	0	54	0.0	-53.31	375.74	8.90	-44.41
CC(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823776	1	54	0.0	-54.09	369.29	8.90	-45.19
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+]1CCCC(C)C1	REAL300013823777	0	55	0.0	-57.41	383.74	6.34	-51.07
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+]1CCCC(C)C1	REAL300013823777	1	55	0.0	-58.93	382.36	6.04	-52.89
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300013823778	0	53	0.0	-66.97	376.35	7.04	-59.93
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300013823778	1	53	0.0	-67.52	383.67	7.03	-60.49
CCC(CC)(CNC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013823779	0	56	0.0	-57.41	384.54	8.03	-49.38
CCC(CC)(CNC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013823779	1	56	0.0	-60.28	395.97	7.83	-52.45
CC(C)C(CNC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013823780	0	53	0.0	-60.12	378.11	7.01	-53.11
CC(C)C(CNC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013823780	1	53	0.0	-58.18	378.70	7.42	-50.76
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+]1CCCC(C)C1	REAL300013823781	0	60	0.0	-75.49	424.98	8.52	-66.97
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@H+]1CCCC(C)C1	REAL300013823781	1	60	0.0	-76.16	425.37	8.60	-67.56
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300013823782	0	57	0.0	-55.68	412.55	9.39	-46.29
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300013823782	1	57	0.0	-60.86	419.26	9.47	-51.39
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823783	0	51	0.0	-63.01	370.21	7.07	-55.94
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823783	1	51	0.0	-66.78	371.77	7.43	-59.35
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[N@@H+]1CCCC(C)C1	REAL300013823784	0	57	0.0	-73.02	403.03	9.75	-63.27
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[N@H+]1CCCC(C)C1	REAL300013823784	1	57	0.0	-71.50	396.66	9.77	-61.73
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823785	0	53	0.0	-68.84	374.95	6.93	-61.91
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823785	1	53	0.0	-68.80	381.66	6.90	-61.90
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@@H+]1CCCC(C)C1	REAL300013823786	0	54	0.0	-56.26	387.56	7.90	-48.36
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@H+]1CCCC(C)C1	REAL300013823786	1	54	0.0	-57.83	382.16	8.20	-49.63
CC(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[N@@H+]1CCCC(C)C1	REAL300013823787	0	54	0.0	-69.38	380.72	9.13	-60.25
CC(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[N@H+]1CCCC(C)C1	REAL300013823787	1	54	0.0	-68.29	370.80	9.40	-58.89
CC(CNC(=O)NCC1(C(=O)[O-])CCC1)[N@@H+]1CCCC(C)C1	REAL300013823788	0	51	0.0	-56.38	369.18	7.20	-49.18
CC(CNC(=O)NCC1(C(=O)[O-])CCC1)[N@H+]1CCCC(C)C1	REAL300013823788	1	51	0.0	-55.54	370.87	7.50	-48.04
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@@H+]1CCCC(C)C1	REAL300013823789	0	54	0.0	-69.75	389.60	8.26	-61.49
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@H+]1CCCC(C)C1	REAL300013823789	1	54	0.0	-69.41	394.19	7.80	-61.61
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@@H+]1CCCC(C)C1	REAL300013823790	0	54	0.0	-71.67	375.83	8.53	-63.14
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@H+]1CCCC(C)C1	REAL300013823790	1	54	0.0	-71.80	369.46	8.60	-63.20
CC(C)C[C@H](CNC(=O)NCC(C)[N@@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013823791	0	59	0.0	-65.55	415.24	8.23	-57.32
CC(C)C[C@H](CNC(=O)NCC(C)[N@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013823791	1	59	0.0	-65.01	416.43	8.57	-56.44
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300013823792	0	51	0.0	-64.83	380.45	8.03	-56.80
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300013823792	1	51	0.0	-64.05	373.64	8.10	-55.95
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)[N@@H+]2CCCC(C)C2)C1	REAL300013823793	0	55	0.0	-77.57	403.49	7.40	-70.17
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)[N@H+]2CCCC(C)C2)C1	REAL300013823793	1	55	0.0	-68.84	400.92	8.06	-60.78
CC(CNC(=O)NC1CCN(CC(=O)[O-])CC1)[N@@H+]1CCCC(C)C1	REAL300013823794	0	56	0.0	-73.58	402.10	5.44	-68.14
CC(CNC(=O)NC1CCN(CC(=O)[O-])CC1)[N@H+]1CCCC(C)C1	REAL300013823794	1	56	0.0	-72.27	395.06	5.43	-66.84
CC(CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)[N@@H+]1CCCC(C)C1	REAL300013823795	0	61	0.0	-78.15	446.66	9.59	-68.56
CC(CNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1)[N@H+]1CCCC(C)C1	REAL300013823795	1	61	0.0	-67.25	434.20	9.82	-57.43
CC(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823796	0	51	0.0	-74.91	364.23	8.67	-66.24
CC(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823796	1	51	0.0	-75.08	363.62	8.35	-66.73
CC(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823797	0	51	0.0	-53.77	363.88	8.31	-45.46
CC(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823797	1	51	0.0	-53.81	363.87	8.31	-45.50
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@@H+]1CCCC(C)C1	REAL300013823798	0	51	0.0	-73.19	381.37	8.28	-64.91
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@H+]1CCCC(C)C1	REAL300013823798	1	51	0.0	-73.36	386.82	7.94	-65.42
CC(CNC(=O)N1CCCCC1CCC(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300013823799	0	57	0.0	-76.68	398.64	10.07	-66.61
CC(CNC(=O)N1CCCCC1CCC(=O)[O-])[N@H+]1CCCC(C)C1	REAL300013823799	1	57	0.0	-76.75	391.67	10.05	-66.70
CC(CNC(=O)NCCCCCCCC(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300013823800	0	59	0.0	-72.99	429.65	9.30	-63.69
CC(CNC(=O)NCCCCCCCC(=O)[O-])[N@H+]1CCCC(C)C1	REAL300013823800	1	59	0.0	-73.74	436.38	9.27	-64.47
CC(CNC(=O)NCCCCCCC(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300013823801	0	56	0.0	-73.91	408.15	8.52	-65.39
CC(CNC(=O)NCCCCCCC(=O)[O-])[N@H+]1CCCC(C)C1	REAL300013823801	1	56	0.0	-74.74	414.88	8.49	-66.25
CC(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823802	0	54	0.0	-76.57	379.69	9.40	-67.17
CC(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823802	1	54	0.0	-76.61	380.16	9.39	-67.22
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)[N@@H+]2CCCC(C)C2)C1	REAL300013823803	0	58	0.0	-82.04	410.11	8.18	-73.86
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)[N@H+]2CCCC(C)C2)C1	REAL300013823803	1	58	0.0	-79.97	411.06	9.17	-70.80
COCCN(CCC(=O)[O-])C(=O)NCC(C)[N@@H+]1CCCC(C)C1	REAL300013823804	0	54	0.0	-48.92	399.18	7.47	-41.45
COCCN(CCC(=O)[O-])C(=O)NCC(C)[N@H+]1CCCC(C)C1	REAL300013823804	1	54	0.0	-52.12	399.73	7.92	-44.20
CC(CNC(=O)N1CCCC(CCC(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823805	0	57	0.0	-76.08	405.32	10.10	-65.98
CC(CNC(=O)N1CCCC(CCC(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823805	1	57	0.0	-75.43	405.10	10.11	-65.32
CC(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823806	0	55	0.0	-76.64	397.55	11.42	-65.22
CC(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823806	1	55	0.0	-78.67	390.38	10.31	-68.36
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC(C)[N@@H+]2CCCC(C)C2)CCO1	REAL300013823807	0	62	0.0	-67.57	450.24	8.09	-59.48
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC(C)[N@H+]2CCCC(C)C2)CCO1	REAL300013823807	1	62	0.0	-66.21	440.16	8.93	-57.28
CC(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[N@@H+]1CCCC(C)C1	REAL300013823808	0	52	0.0	-69.24	376.89	7.37	-61.87
CC(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[N@H+]1CCCC(C)C1	REAL300013823808	1	52	0.0	-64.46	369.21	7.01	-57.45
CC(CNC(=O)N1CC(C(=O)[O-])CCC1C)[N@@H+]1CCCC(C)C1	REAL300013823809	0	54	0.0	-76.30	381.50	9.28	-67.02
CC(CNC(=O)N1CC(C(=O)[O-])CCC1C)[N@H+]1CCCC(C)C1	REAL300013823809	1	54	0.0	-53.84	373.55	9.24	-44.60
CC(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823810	0	58	0.0	-60.71	427.53	11.23	-49.48
CC(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823810	1	58	0.0	-60.74	425.92	10.89	-49.85
CC(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823811	0	52	0.0	-73.22	373.03	5.91	-67.31
CC(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823811	1	52	0.0	-73.31	374.50	6.21	-67.10
CC(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)[N@@H+]1CCCC(C)C1	REAL300013823812	0	55	0.0	-70.91	410.43	9.47	-61.44
CC(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)[N@H+]1CCCC(C)C1	REAL300013823812	1	55	0.0	-68.03	396.83	8.93	-59.10
CC(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)[N@@H+]1CCCC(C)C1	REAL300013823813	0	58	0.0	-81.16	416.34	8.50	-72.66
CC(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)[N@H+]1CCCC(C)C1	REAL300013823813	1	58	0.0	-77.38	416.46	8.48	-68.90
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)[N@@H+]2CCCC(C)C2)CC1	REAL300013823814	0	58	0.0	-73.89	407.66	8.34	-65.55
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)[N@H+]2CCCC(C)C2)CC1	REAL300013823814	1	58	0.0	-75.13	401.46	7.72	-67.41
CC(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[N@@H+]1CCCC(C)C1	REAL300013823815	0	49	0.0	-74.40	357.51	6.66	-67.74
CC(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[N@H+]1CCCC(C)C1	REAL300013823815	1	49	0.0	-74.86	358.87	6.97	-67.89
CC(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)[N@@H+]1CCCC(C)C1	REAL300013823816	0	60	0.0	-64.88	410.04	8.54	-56.34
CC(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)[N@H+]1CCCC(C)C1	REAL300013823816	1	60	0.0	-63.52	403.46	8.64	-54.88
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[N@@H+]1CCCC(C)C1	REAL300013823817	0	54	0.0	-62.46	383.42	8.00	-54.46
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[N@H+]1CCCC(C)C1	REAL300013823817	1	54	0.0	-62.05	378.22	8.10	-53.95
CC(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[N@@H+]1CCCC(C)C1	REAL300013823818	0	57	0.0	-72.66	409.21	8.64	-64.02
CC(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[N@H+]1CCCC(C)C1	REAL300013823818	1	57	0.0	-73.52	403.85	8.68	-64.84
CC(CNC(=O)N1CCC(CC(=O)[O-])CC1)[N@@H+]1CCCC(C)C1	REAL300013823819	0	54	0.0	-72.79	380.72	8.97	-63.82
CC(CNC(=O)N1CCC(CC(=O)[O-])CC1)[N@H+]1CCCC(C)C1	REAL300013823819	1	54	0.0	-72.14	374.29	8.96	-63.18
CC(CNC(=O)N1CCC(OCC(=O)[O-])CC1)[N@@H+]1CCCC(C)C1	REAL300013823820	0	55	0.0	-73.59	397.32	8.39	-65.20
CC(CNC(=O)N1CCC(OCC(=O)[O-])CC1)[N@H+]1CCCC(C)C1	REAL300013823820	1	55	0.0	-74.19	390.89	8.37	-65.82
CC(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823821	0	54	0.0	-69.11	389.42	7.63	-61.48
CC(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823821	1	54	0.0	-68.70	389.45	7.64	-61.06
CC(CNC(=O)NC1CCCC(C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013823822	0	54	0.0	-67.46	388.14	7.59	-59.87
CC(CNC(=O)NC1CCCC(C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013823822	1	54	0.0	-68.34	387.84	7.59	-60.75
CC(CNC(=O)NCC1(C(=O)[O-])CCCOC1)[N@@H+]1CCCC(C)C1	REAL300013823823	0	55	0.0	-57.04	391.31	6.19	-50.85
CC(CNC(=O)NCC1(C(=O)[O-])CCCOC1)[N@H+]1CCCC(C)C1	REAL300013823823	1	55	0.0	-56.00	392.71	6.50	-49.50
CC(CNC(=O)NCC1(C(=O)[O-])CCOC1)[N@@H+]1CCCC(C)C1	REAL300013823824	0	52	0.0	-56.54	379.71	5.48	-51.06
CC(CNC(=O)NCC1(C(=O)[O-])CCOC1)[N@H+]1CCCC(C)C1	REAL300013823824	1	52	0.0	-58.81	370.79	5.50	-53.31
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CC1CC(C)C[NH+](CCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013824040	0	54	0.0	-77.19	418.42	8.68	-68.51
CC1CC(C)C[NH+](CCCNC(=O)NCCCCCC(=O)[O-])C1	REAL300013824041	0	56	0.0	-75.30	423.65	8.15	-67.15
CC1CC(C)C[NH+](CCCNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013824042	0	53	0.0	-76.45	394.01	7.26	-69.19
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013824043	0	54	0.0	-75.84	401.52	8.64	-67.20
CC1CC(C(=O)[O-])CN(C(=O)NCCC[NH+]2CC(C)CC(C)C2)C1	REAL300013824044	0	57	0.0	-60.89	415.49	9.63	-51.26
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013824045	0	57	0.0	-75.78	407.98	9.37	-66.41
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013824046	0	57	0.0	-78.52	410.57	9.51	-69.01
CC1CC(C)C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013824047	0	58	0.0	-65.68	420.76	6.76	-58.92
CC1CC(C)C[NH+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013824048	0	56	0.0	-72.06	413.94	7.47	-64.59
CCC(CC)(CNC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013824049	0	59	0.0	-63.65	421.54	8.43	-55.22
CC(C)C(CNC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013824050	0	56	0.0	-66.98	416.44	7.73	-59.25
CC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013824051	0	63	0.0	-78.40	453.50	9.15	-69.25
CC1CC(C)C[NH+](CCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013824052	0	60	0.0	-65.34	445.61	10.11	-55.23
CC1CC(C)C[NH+](CCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013824053	0	54	0.0	-68.10	395.34	7.85	-60.25
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013824054	0	60	0.0	-75.18	435.18	10.53	-64.65
CC1CC(C)C[NH+](CCCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013824055	0	56	0.0	-74.41	405.65	7.21	-67.20
CC1CC(C)C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013824056	0	57	0.0	-65.69	419.13	8.64	-57.05
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013824057	0	57	0.0	-72.29	407.74	9.79	-62.50
CC1CC(C)C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013824058	0	54	0.0	-63.83	402.05	7.79	-56.04
CC1CC(C)C[NH+](CCCNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013824059	0	57	0.0	-75.03	426.17	8.58	-66.45
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013824060	0	57	0.0	-75.78	407.98	9.37	-66.41
CC(C)C[C@H](CNC(=O)NCCC[NH+]1CC(C)CC(C)C1)CC(=O)[O-]	REAL300013824061	0	62	0.0	-71.97	447.17	8.97	-63.00
CC1CC(C)C[NH+](CCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013824062	0	54	0.0	-70.83	412.05	8.79	-62.04
COCC1(C(=O)[O-])CCN(C(=O)NCCC[NH+]2CC(C)CC(C)C2)C1	REAL300013824063	0	58	0.0	-77.41	432.38	7.77	-69.64
CC1CC(C)C[NH+](CCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013824064	0	51	0.0	-71.71	385.70	7.11	-64.60
CC1CC(C)C[NH+](CCCNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013824065	0	59	0.0	-74.09	434.16	6.23	-67.86
CC1CC(C)C[NH+](CCCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013824066	0	54	0.0	-60.51	394.62	9.04	-51.47
CC1CC(C)C[NH+](CCCNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013824067	0	54	0.0	-79.02	395.17	9.08	-69.94
CC1CC(C)C[NH+](CCCNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013824068	0	51	0.0	-71.71	386.14	7.15	-64.56
CC1CC(C)C[NH+](CCCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013824069	0	51	0.0	-73.76	385.16	7.16	-66.60
CC1CC(C)C[NH+](CCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013824070	0	54	0.0	-77.19	418.42	8.68	-68.51
CCC(CNC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013824071	0	53	0.0	-64.51	394.73	7.47	-57.04
CC1CC(C)C[NH+](CCCNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013824072	0	60	0.0	-80.71	428.51	10.46	-70.25
CC1CC(C)C[NH+](CCCNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013824073	0	62	0.0	-77.43	466.65	9.71	-67.72
CC1CC(C)C[NH+](CCCNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013824074	0	59	0.0	-78.28	445.15	8.93	-69.35
CC1CC(C)C[NH+](CCCNC(=O)N(C)CCCC(=O)[O-])C1	REAL300013824075	0	53	0.0	-76.01	398.28	8.98	-67.03
CC1CC(C)C[NH+](CCCNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013824076	0	57	0.0	-80.02	410.00	9.83	-70.19
COCC1(C(=O)[O-])CCCN(C(=O)NCCC[NH+]2CC(C)CC(C)C2)C1	REAL300013824077	0	61	0.0	-84.17	442.16	8.98	-75.19
COCCN(CCC(=O)[O-])C(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300013824078	0	57	0.0	-59.62	429.97	8.34	-51.28
CC1CC(C)C[NH+](CCCNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013824079	0	60	0.0	-79.12	435.52	10.52	-68.60
CC1CC(C)C[NH+](CCCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013824080	0	58	0.0	-78.14	428.51	11.58	-66.56
CC1CC(C)C[NH+](CCCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013824081	0	55	0.0	-69.47	407.67	7.83	-61.64
CC1CC(C)C[NH+](CCCNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013824082	0	57	0.0	-60.59	410.39	9.67	-50.92
CC1CC(C)C[NH+](CCCNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013824083	0	61	0.0	-67.47	457.37	11.64	-55.83
CC1CC(C)C[NH+](CCCNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013824084	0	55	0.0	-76.40	404.77	6.64	-69.76
CC1CC(C)C[NH+](CCCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013824085	0	58	0.0	-73.54	438.81	9.84	-63.70
CC1CC(C)C[NH+](CCCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013824086	0	61	0.0	-84.61	446.77	8.91	-75.70
COCC1(C(=O)[O-])CCN(C(=O)NCCC[NH+]2CC(C)CC(C)C2)CC1	REAL300013824087	0	61	0.0	-78.93	439.98	8.48	-70.45
CC1CC(C)C[NH+](CCCNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013824088	0	52	0.0	-78.35	395.87	7.39	-70.96
CC1CC(C)C[NH+](CCCNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013824089	0	63	0.0	-68.27	441.78	9.37	-58.90
CC1CC(C)C[NH+](CCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013824090	0	57	0.0	-68.77	414.85	8.73	-60.04
CC1CC(C)C[NH+](CCCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013824091	0	60	0.0	-76.56	434.10	9.10	-67.46
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013824092	0	57	0.0	-68.71	412.86	9.75	-58.96
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013824093	0	58	0.0	-77.65	429.40	9.13	-68.52
CC1CC(C)C[NH+](CCCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013824094	0	57	0.0	-72.95	421.07	8.38	-64.57
CC1CC(C)C[NH+](CCCNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013824095	0	57	0.0	-70.11	416.63	8.81	-61.30
CC1CC(C)C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013824096	0	58	0.0	-68.69	425.88	7.23	-61.46
CC1CC(C)C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013824097	0	55	0.0	-64.88	407.81	5.92	-58.96
CC1CC(C)C[NH+](CCCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013824098	0	52	0.0	-71.63	390.57	7.88	-63.75
CC1CC(C)C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013824099	0	51	0.0	-61.84	385.95	7.42	-54.42
CC1CC(C)C[NH+](CCCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013824100	0	58	0.0	-67.01	424.14	9.90	-57.11
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013824101	0	54	0.0	-69.24	414.61	8.93	-60.31
CC1CC(C)C[NH+](CCCNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013824102	0	55	0.0	-79.96	403.03	8.31	-71.65
COC1CC(C(=O)[O-])CN(C(=O)NCCC[NH+]2CC(C)CC(C)C2)C1	REAL300013824103	0	58	0.0	-62.81	426.21	8.16	-54.65
CC1CC(C)C[NH+](CCCNC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013824104	0	51	0.0	-74.97	381.79	8.16	-66.81
CC1CC(C)C[NH+](CCCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013824105	0	52	0.0	-78.09	396.56	7.89	-70.20
CC(CCC(=O)[O-])NC(=O)NCCC[NH+]1CC(C)CC(C)C1	REAL300013824106	0	53	0.0	-69.31	400.41	7.60	-61.71
O=C([O-])C1CCN(C(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)CC1	REAL300013824107	0	52	0.0	-77.83	392.34	10.07	-67.76
O=C([O-])C1CCN(C(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)CC1	REAL300013824107	1	52	0.0	-77.96	390.85	10.00	-67.96
O=C([O-])C1=CC=C(CNC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)C=C1	REAL300013824108	0	52	0.0	-81.95	414.95	9.66	-72.29
O=C([O-])C1=CC=C(CNC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)C=C1	REAL300013824108	1	52	0.0	-82.01	414.94	9.65	-72.36
O=C([O-])C1CN(C(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)CCO1	REAL300013824109	0	50	0.0	-83.41	384.02	8.47	-74.94
O=C([O-])C1CN(C(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)CCO1	REAL300013824109	1	50	0.0	-83.43	384.02	8.47	-74.96
O=C([O-])C1CCC(NC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)CC1	REAL300013824110	0	55	0.0	-82.86	417.59	9.34	-73.52
O=C([O-])C1CCC(NC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)CC1	REAL300013824110	1	55	0.0	-73.16	411.82	9.73	-63.43
O=C([O-])CCCCNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300013824111	0	51	0.0	-80.64	398.68	8.32	-72.32
O=C([O-])CCCCNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300013824111	1	51	0.0	-80.67	398.68	8.32	-72.35
O=C([O-])C1=CC(CNC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)=CC=C1	REAL300013824112	0	52	0.0	-81.48	414.95	9.63	-71.85
O=C([O-])C1=CC(CNC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)=CC=C1	REAL300013824112	1	52	0.0	-81.56	414.95	9.65	-71.91
O=C([O-])CCNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300013824113	0	45	0.0	-77.44	355.69	6.75	-70.69
O=C([O-])CCNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300013824113	1	45	0.0	-77.50	355.68	6.74	-70.76
O=C([O-])CCCCCNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300013824114	0	54	0.0	-79.65	420.18	9.10	-70.55
O=C([O-])CCCCCNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300013824114	1	54	0.0	-79.66	420.18	9.10	-70.56
CC(C)(CNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013824115	0	51	0.0	-80.72	391.12	8.20	-72.52
CC(C)(CNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013824115	1	51	0.0	-80.73	391.12	8.20	-72.53
CC1(C(=O)[O-])CCN(C(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300013824116	0	52	0.0	-80.07	398.05	9.60	-70.47
CC1(C(=O)[O-])CCN(C(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300013824116	1	52	0.0	-82.10	395.36	9.68	-72.42
CC1CC(C(=O)[O-])CN(C(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300013824117	0	55	0.0	-65.95	408.47	10.88	-55.07
CC1CC(C(=O)[O-])CN(C(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300013824117	1	55	0.0	-65.07	407.98	10.87	-54.20
CC1(C(=O)[O-])CCN(C(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)CC1	REAL300013824118	0	55	0.0	-79.50	404.33	10.27	-69.23
CC1(C(=O)[O-])CCN(C(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)CC1	REAL300013824118	1	55	0.0	-79.99	404.49	10.32	-69.67
O=C([O-])CCCNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300013824119	0	48	0.0	-75.50	377.19	7.54	-67.96
O=C([O-])CCCNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300013824119	1	48	0.0	-75.51	377.18	7.54	-67.97
CC1CCN(C(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)CC1C(=O)[O-]	REAL300013824120	0	55	0.0	-64.51	407.82	10.48	-54.03
CC1CCN(C(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)CC1C(=O)[O-]	REAL300013824120	1	55	0.0	-67.46	411.39	10.61	-56.85
O=C([O-])C1(CNC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)CCOCC1	REAL300013824121	0	56	0.0	-69.84	417.27	7.69	-62.15
O=C([O-])C1(CNC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)CCOCC1	REAL300013824121	1	56	0.0	-68.84	415.65	7.74	-61.10
CC(C)(CCNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013824122	0	54	0.0	-76.41	410.47	8.42	-67.99
CC(C)(CCNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013824122	1	54	0.0	-76.56	409.88	8.42	-68.14
CCC(CC)(CNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013824123	0	57	0.0	-69.09	420.61	9.54	-59.55
CCC(CC)(CNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013824123	1	57	0.0	-69.06	420.60	9.55	-59.51
CC(CNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013824124	0	48	0.0	-78.85	374.24	7.50	-71.35
CC(CNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013824124	1	48	0.0	-78.85	374.23	7.50	-71.35
CC(C)C(CNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013824125	0	54	0.0	-71.13	412.97	8.69	-62.44
CC(C)C(CNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013824125	1	54	0.0	-68.60	407.72	8.80	-59.80
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O=C([O-])C1CCN(C(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300013824178	0	49	0.0	-78.80	378.26	9.11	-69.69
O=C([O-])C1CCN(C(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300013824178	1	49	0.0	-79.12	378.34	9.12	-70.00
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCCC[N@@H+]1CCC3=CC=CC=C3C1)C2	REAL300013824179	0	50	0.0	-82.32	393.12	8.84	-73.48
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCCC[N@H+]1CCC3=CC=CC=C3C1)C2	REAL300013824179	1	50	0.0	-82.25	393.07	8.84	-73.41
CC(CCC(=O)[O-])NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300013824180	0	51	0.0	-73.49	396.94	8.56	-64.93
CC(CCC(=O)[O-])NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300013824180	1	51	0.0	-73.46	396.94	8.56	-64.90
O=C([O-])C[NH+]1CCC(NC(=O)NC(CN2CCCC2=O)C2=CC=CC=C2)CC1	REAL300013824214	1	56	0.0	-51.73	434.44	8.80	-42.93
CC(C[NH+]1CCCCC1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013824249	0	48	0.0	-75.53	373.96	7.96	-67.57
CC(C[NH+]1CCCCC1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013824250	0	51	0.0	-66.80	370.55	7.92	-58.88
CC(C[NH+]1CCCCC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013824251	0	48	0.0	-76.57	373.67	7.86	-68.71
CC(C[NH+]1CCCCC1)NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013824252	0	58	0.0	-72.75	422.36	11.39	-61.36
CC(C[NH+]1CCCCC1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013824253	0	51	0.0	-54.95	366.87	9.10	-45.85
CC(C[NH+]1CCCCC1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013824254	0	51	0.0	-73.95	363.55	8.63	-65.32
CC(C[NH+]1CCCCC1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013824255	0	51	0.0	-77.16	365.95	8.74	-68.42
CC(C[NH+]1CCCCC1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013824256	0	52	0.0	-58.68	375.73	5.97	-52.71
CCC(CC)(CNC(=O)NC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300013824257	0	53	0.0	-55.95	376.79	7.61	-48.34
CC(C[NH+]1CCCCC1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013824258	0	57	0.0	-78.70	412.40	8.91	-69.79
CC(C[NH+]1CCCCC1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013824259	0	54	0.0	-60.09	404.78	9.09	-51.00
CC(C[NH+]1CCCCC1)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013824260	0	54	0.0	-75.31	390.62	9.76	-65.55
CC(C[NH+]1CCCCC1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013824261	0	50	0.0	-69.68	368.04	6.49	-63.19
CC(C[NH+]1CCCCC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013824262	0	51	0.0	-62.67	374.36	7.82	-54.85
CC(C[NH+]1CCCCC1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013824263	0	51	0.0	-73.39	363.14	9.03	-64.36
CC(C[NH+]1CCCCC1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013824264	0	51	0.0	-70.44	381.41	7.76	-62.68
CC(C[NH+]1CCCCC1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013824265	0	51	0.0	-73.95	363.55	8.63	-65.32
CC(C)C[C@H](CNC(=O)NC(C)C[NH+]1CCCCC1)CC(=O)[O-]	REAL300013824266	0	56	0.0	-65.66	402.79	8.31	-57.35
CC(C[NH+]1CCCCC1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013824267	0	48	0.0	-61.92	367.58	8.06	-53.86
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C[NH+]2CCCCC2)C1	REAL300013824268	0	52	0.0	-76.83	387.91	7.00	-69.83
CC(C[NH+]1CCCCC1)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013824269	0	53	0.0	-72.37	389.43	5.45	-66.92
CC(C[NH+]1CCCCC1)NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013824270	0	58	0.0	-60.35	433.22	9.57	-50.78
CC(C[NH+]1CCCCC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013824271	0	48	0.0	-76.57	373.67	7.86	-68.71
COC(=O)C1CC2(C1)CN(C(=O)NC(C)C[NH+]1CCCCC1)CC2C(=O)[O-]	REAL300013824272	0	58	0.0	-66.94	434.50	9.81	-57.13
CC(C[NH+]1CCCCC1)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013824273	0	54	0.0	-78.44	384.52	9.70	-68.74
CC(C[NH+]1CCCCC1)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013824274	0	56	0.0	-75.45	421.90	8.89	-66.56
CC(C[NH+]1CCCCC1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013824275	0	53	0.0	-76.48	400.40	8.11	-68.37
CC(C[NH+]1CCCCC1)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013824276	0	51	0.0	-79.14	365.45	9.06	-70.08
COCC1(C(=O)[O-])CCCN(C(=O)NC(C)C[NH+]2CCCCC2)C1	REAL300013824277	0	55	0.0	-82.15	397.64	8.21	-73.94
COCCN(CCC(=O)[O-])C(=O)NC(C)C[NH+]1CCCCC1	REAL300013824278	0	51	0.0	-54.23	385.22	7.50	-46.73
CC(C[NH+]1CCCCC1)NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013824279	0	57	0.0	-77.27	425.38	9.97	-67.30
CC(C[NH+]1CCCCC1)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013824280	0	54	0.0	-77.61	390.98	9.76	-67.85
CC(C[NH+]1CCCCC1)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013824281	0	52	0.0	-80.36	383.29	11.07	-69.29
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC(C)C[NH+]2CCCCC2)CCO1	REAL300013824282	0	59	0.0	-75.75	438.49	8.68	-67.07
CC(C[NH+]1CCCCC1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013824283	0	49	0.0	-66.87	363.13	7.00	-59.87
CC(C[NH+]1CCCCC1)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013824284	0	51	0.0	-56.05	365.80	8.78	-47.27
CC(C[NH+]1CCCCC1)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013824285	0	55	0.0	-63.02	411.81	10.91	-52.11
CC(C[NH+]1CCCCC1)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013824286	0	49	0.0	-75.05	360.25	5.88	-69.17
CC(C[NH+]1CCCCC1)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013824287	0	52	0.0	-72.96	396.09	9.14	-63.82
CC(C[NH+]1CCCCC1)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013824288	0	55	0.0	-87.34	401.98	8.07	-79.27
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C[NH+]2CCCCC2)CC1	REAL300013824289	0	55	0.0	-75.64	394.35	8.51	-67.13
CC(C[NH+]1CCCCC1)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013824290	0	57	0.0	-64.24	397.31	8.52	-55.72
CC(C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013824291	0	51	0.0	-66.69	372.16	8.06	-58.63
CC(C[NH+]1CCCCC1)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013824292	0	54	0.0	-74.56	395.13	8.37	-66.19
CC(C[NH+]1CCCCC1)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013824293	0	51	0.0	-74.61	368.30	8.99	-65.62
CC(C[NH+]1CCCCC1)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013824294	0	52	0.0	-75.40	384.84	8.37	-67.03
CC(C[NH+]1CCCCC1)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013824295	0	51	0.0	-69.03	376.05	7.62	-61.41
CC(C[NH+]1CCCCC1)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013824296	0	51	0.0	-69.47	375.51	7.57	-61.90
CC(C[NH+]1CCCCC1)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013824297	0	52	0.0	-60.38	378.24	6.13	-54.25
CC(C[NH+]1CCCCC1)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013824298	0	49	0.0	-57.72	363.04	5.10	-52.62
CC(C[NH+]1CCCCC1)NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013824299	0	60	0.0	-75.67	448.62	10.29	-65.38
CC(C[NH+]1CCCCC1)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013824300	0	52	0.0	-61.57	378.46	9.11	-52.46
CC(C[NH+]1CCCCC1)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013824301	0	48	0.0	-68.63	370.13	8.16	-60.47
CC(C[NH+]1CCCCC1)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013824302	0	49	0.0	-78.19	358.55	7.55	-70.64
COC1CC(C(=O)[O-])CN(C(=O)NC(C)C[NH+]2CCCCC2)C1	REAL300013824303	0	52	0.0	-57.08	383.38	7.30	-49.78
CC(C[NH+]1CCCCC1)NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013824304	0	57	0.0	-79.43	429.27	6.92	-72.51
O=C([O-])C1CCN(C(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300013824305	0	52	0.0	-74.51	391.55	10.69	-63.82
O=C([O-])C1=CC=C(CNC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)C=C1	REAL300013824306	0	52	0.0	-75.99	410.51	10.73	-65.26
O=C([O-])C1CN(C(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)CCO1	REAL300013824307	0	50	0.0	-78.18	386.17	9.32	-68.86
O=C([O-])C1CCC(NC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300013824308	0	55	0.0	-67.97	412.92	9.36	-58.61
O=C([O-])CCCCNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013824309	0	51	0.0	-65.01	397.08	8.58	-56.43
O=C([O-])C1=CC(CNC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)=CC=C1	REAL300013824310	0	52	0.0	-64.04	400.54	10.40	-53.64
O=C([O-])CCNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013824311	0	45	0.0	-71.54	351.94	8.07	-63.47
O=C([O-])CCCCCNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013824312	0	54	0.0	-74.72	416.44	10.43	-64.29
CC(C)(CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013824313	0	51	0.0	-63.36	389.52	8.46	-54.90
CC1(C(=O)[O-])CCN(C(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300013824314	0	52	0.0	-75.73	398.64	10.29	-65.44
CC1CC(C(=O)[O-])CN(C(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300013824315	0	55	0.0	-56.16	409.02	11.60	-44.56
CC1(C(=O)[O-])CCN(C(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300013824316	0	55	0.0	-72.57	401.81	10.53	-62.04
O=C([O-])CCCNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013824317	0	48	0.0	-69.38	373.44	8.87	-60.51
CC1CCN(C(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)CC1C(=O)[O-]	REAL300013824318	0	55	0.0	-54.64	409.06	11.31	-43.33
O=C([O-])C1(CNC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)CCOCC1	REAL300013824319	0	56	0.0	-56.66	419.33	8.57	-48.09
CC(C)(CCNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013824320	0	54	0.0	-70.27	406.72	9.75	-60.52
CCC(CC)(CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013824321	0	57	0.0	-57.75	419.03	10.55	-47.20
CC(CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013824322	0	48	0.0	-74.00	371.30	8.86	-65.14
CC(C)C(CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013824323	0	54	0.0	-56.17	402.96	10.16	-46.01
CC(NC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013824324	0	61	0.0	-80.85	454.75	11.35	-69.50
CC(CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013824325	0	58	0.0	-58.37	447.76	11.74	-46.63
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300013824326	0	52	0.0	-62.25	384.61	9.78	-52.47
O=C([O-])CCC1CCN(C(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300013824327	0	58	0.0	-68.12	416.12	12.18	-55.94
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)C2	REAL300013824328	0	54	0.0	-57.95	407.19	8.31	-49.64
O=C([O-])C1(CNC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)CCCC1	REAL300013824329	0	55	0.0	-62.92	417.12	10.35	-52.57
CC1CN(C(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)CCC1C(=O)[O-]	REAL300013824330	0	55	0.0	-65.99	389.86	11.49	-54.50
O=C([O-])C1(CNC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)CCC1	REAL300013824331	0	52	0.0	-60.02	400.04	9.51	-50.51
O=C([O-])CC(CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)C1CC1	REAL300013824332	0	55	0.0	-75.48	418.94	10.85	-64.63
CC1(C(=O)[O-])CCN(C(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300013824333	0	55	0.0	-72.57	401.81	10.53	-62.04
CC(C)C[C@H](CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)CC(=O)[O-]	REAL300013824334	0	60	0.0	-72.55	439.93	11.30	-61.25
O=C([O-])C1=CC=CC=C1CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013824335	0	52	0.0	-69.23	410.04	10.51	-58.72
COCC1(C(=O)[O-])CCN(C(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300013824336	0	56	0.0	-69.17	429.51	9.42	-59.75
O=C([O-])[C@H]1C[C@@H](NC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300013824337	0	49	0.0	-68.10	383.79	8.85	-59.25
O=C([O-])CN1CCC(NC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300013824338	0	57	0.0	-64.48	428.65	7.42	-57.06
O=C([O-])[C@@H]1CCCN(C(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300013824339	0	52	0.0	-77.94	393.29	10.86	-67.08
O=C([O-])[C@H]1CCCN(C(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300013824340	0	52	0.0	-77.94	392.87	10.76	-67.18
O=C([O-])C1CC(NC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300013824341	0	49	0.0	-70.37	383.91	8.94	-61.43
O=C([O-])[C@H]1C[C@H](NC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300013824342	0	49	0.0	-69.64	378.07	9.23	-60.41
O=C([O-])C1=CC(CNC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)=CC=C1	REAL300013824343	0	52	0.0	-64.04	400.54	10.40	-53.64
CCC(CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013824344	0	51	0.0	-58.50	392.44	9.53	-48.97
O=C([O-])CCC1CCCCN1C(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013824345	0	58	0.0	-79.33	427.02	12.25	-67.08
O=C([O-])CCCCCCCNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013824346	0	60	0.0	-77.23	459.43	11.99	-65.24
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CN1CC[N@H+](CCCNC(=O)NCCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013825025	0	56	0.0	-72.51	418.48	5.75	-66.76
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CC(CNC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013825027	1	56	0.0	-76.74	415.53	5.71	-71.03
CC(CNC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013825027	1	56	0.0	-80.04	420.66	6.38	-73.66
CC(CNC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013825027	1	56	0.0	-80.88	420.51	6.24	-74.64
CC(C)C(CNC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013825028	0	62	0.0	-66.01	465.28	7.52	-58.49
CC(C)C(CNC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013825028	1	62	0.0	-65.56	447.27	7.05	-58.51
CC(C)C(CNC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013825028	1	62	0.0	-70.96	454.02	7.72	-63.24
CC(C)C(CNC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013825028	1	62	0.0	-74.34	459.25	7.42	-66.92
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C[N@@H+]1CCN(CCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300013825029	1	60	0.0	-73.81	445.87	7.67	-66.14
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CN1CC[N@H+](CCCNC(=O)NCC2(C(=O)[O-])CCC2)C(C2=CC=CC=C2)C1	REAL300013825030	0	60	0.0	-64.11	438.68	7.10	-57.01
CN1CC[N@@H+](CCCNC(=O)NCC2(C(=O)[O-])CCC2)C(C2=CC=CC=C2)C1	REAL300013825030	1	60	0.0	-62.70	450.79	7.58	-55.12
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C[N@@H+]1CCN(CCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300013825031	1	57	0.0	-75.61	436.41	7.26	-68.35
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CN1CC[N@@H+](CCCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300013825032	1	60	0.0	-59.55	444.13	8.85	-50.70
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CC(CCC(=O)[O-])NC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013825095	0	56	0.0	-74.22	427.54	7.33	-66.89
O=C([O-])C1CCN(C(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013825096	0	60	0.0	-76.38	445.06	8.88	-67.50
O=C([O-])C1CCN(C(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)CC1	REAL300013825096	1	60	0.0	-76.56	445.39	8.86	-67.70
O=C([O-])C1CN(C(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCO1	REAL300013825097	0	58	0.0	-67.79	438.92	7.42	-60.37
O=C([O-])C1CN(C(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)CCO1	REAL300013825097	1	58	0.0	-66.50	438.52	7.32	-59.18
O=C([O-])CCCCNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013825098	0	59	0.0	-78.85	453.61	7.26	-71.59
O=C([O-])CCCCNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013825098	1	59	0.0	-79.65	453.63	7.31	-72.34
O=C([O-])CCNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013825099	0	53	0.0	-76.37	410.62	5.68	-70.69
O=C([O-])CCNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013825099	1	53	0.0	-76.63	410.63	5.73	-70.90
O=C([O-])CCCCCNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013825100	0	62	0.0	-77.51	475.11	8.04	-69.47
O=C([O-])CCCCCNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013825100	1	62	0.0	-78.49	475.13	8.09	-70.40
CC(C)(CNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013825101	0	59	0.0	-79.14	445.47	7.14	-72.00
CC(C)(CNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013825101	1	59	0.0	-79.78	446.07	7.18	-72.60
CC1(C(=O)[O-])CCN(C(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013825102	0	60	0.0	-78.03	453.36	8.61	-69.42
CC1(C(=O)[O-])CCN(C(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013825102	1	60	0.0	-79.15	452.99	8.57	-70.58
O=C([O-])CCCNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013825103	0	56	0.0	-73.77	432.11	6.48	-67.29
O=C([O-])CCCNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013825103	1	56	0.0	-74.25	432.13	6.53	-67.72
CC(C)(CCNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013825104	0	62	0.0	-74.43	465.40	7.36	-67.07
CC(C)(CCNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013825104	1	62	0.0	-75.32	464.84	7.40	-67.92
CC(CNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013825105	0	56	0.0	-77.65	429.16	6.44	-71.21
CC(CNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013825105	1	56	0.0	-77.70	428.30	6.46	-71.24
CC(C)C(CNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013825106	0	62	0.0	-69.46	462.65	7.73	-61.73
CC(C)C(CNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013825106	1	62	0.0	-68.29	461.66	7.81	-60.48
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013825107	0	60	0.0	-71.77	453.53	7.74	-64.03
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013825107	1	60	0.0	-71.73	454.06	7.82	-63.91
O=C([O-])C1(CNC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCC1	REAL300013825108	0	60	0.0	-68.83	452.59	7.83	-61.00
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)CCC1	REAL300013825108	1	60	0.0	-66.73	453.11	7.59	-59.14
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013825109	0	57	0.0	-74.30	437.57	7.05	-67.25
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013825109	1	57	0.0	-74.45	437.16	6.95	-67.50
O=C([O-])[C@@H]1CCCN(C(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013825110	0	60	0.0	-64.91	446.45	9.00	-55.91
O=C([O-])[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013825110	1	60	0.0	-63.86	446.37	8.88	-54.98
O=C([O-])[C@H]1CCCN(C(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013825111	0	60	0.0	-81.55	446.99	9.04	-72.51
O=C([O-])[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013825111	1	60	0.0	-82.25	447.12	9.05	-73.20
O=C([O-])C1CC(NC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013825112	0	57	0.0	-74.50	436.46	6.91	-67.59
O=C([O-])C1CC(NC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013825112	1	57	0.0	-75.01	437.60	7.08	-67.93
O=C([O-])[C@H]1C[C@H](NC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013825113	0	57	0.0	-75.81	437.80	7.15	-68.66
O=C([O-])[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013825113	1	57	0.0	-76.26	436.19	6.97	-69.29
CCC(CNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013825114	0	59	0.0	-69.18	446.19	7.36	-61.82
CCC(CNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013825114	1	59	0.0	-69.86	451.13	7.19	-62.67
CN(CCCC(=O)[O-])C(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013825115	0	59	0.0	-79.79	449.74	8.87	-70.92
CN(CCCC(=O)[O-])C(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013825115	1	59	0.0	-78.83	449.76	8.91	-69.92
O=C([O-])C12CC(NC(=O)NCCCN3CC[NH+](CC4=CC=CC=C4)CC3)(C1)C2	REAL300013825116	0	58	0.0	-80.49	447.71	7.34	-73.15
O=C([O-])C12CC(NC(=O)NCCC[NH+]3CCN(CC4=CC=CC=C4)CC3)(C1)C2	REAL300013825116	1	58	0.0	-80.89	446.93	7.17	-73.72
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCCCN1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300013825117	0	58	0.0	-75.14	448.73	7.77	-67.37
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCCC[NH+]1CCN(CC3=CC=CC=C3)CC1)C2	REAL300013825117	1	58	0.0	-75.46	449.59	7.84	-67.62
O=C([O-])C1(CNC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013825118	0	57	0.0	-66.84	437.39	7.31	-59.53
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)CC1	REAL300013825118	1	57	0.0	-64.56	437.00	7.23	-57.33
O=C([O-])C1CN(C(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013825119	0	54	0.0	-70.31	417.24	7.12	-63.19
O=C([O-])C1CN(C(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013825119	1	54	0.0	-70.03	417.75	7.25	-62.78
O=C([O-])C1CCN(C(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013825120	0	57	0.0	-77.23	433.64	8.12	-69.11
O=C([O-])C1CCN(C(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013825120	1	57	0.0	-78.18	433.26	8.10	-70.08
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCCCN1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300013825121	0	58	0.0	-80.07	448.01	7.78	-72.29
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCCC[NH+]1CCN(CC3=CC=CC=C3)CC1)C2	REAL300013825121	1	58	0.0	-81.03	448.54	7.87	-73.16
CC(CCC(=O)[O-])NC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013825122	0	59	0.0	-72.38	451.87	7.49	-64.89
CC(CCC(=O)[O-])NC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013825122	1	59	0.0	-72.66	451.89	7.53	-65.13
CNS(=O)(=O)C1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013825155	1	50	0.0	-42.99	409.77	2.43	-40.56
CC1=CC(C)=NN1C1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013825221	1	58	0.0	-48.18	453.37	9.21	-38.97
CC(C)OC1=CC=CC=C1C(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013825357	1	55	0.0	-37.87	417.63	8.07	-29.80
CC(C)OC1=CC=CC(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013825434	1	55	0.0	-37.06	419.66	7.93	-29.13
COC1=CC(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1OC(C)C	REAL300013825535	1	59	0.0	-39.82	449.10	7.85	-31.97
CCCOC1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1OC	REAL300013825601	1	59	0.0	-39.70	452.74	8.04	-31.66
CCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1OC(F)F	REAL300013825668	1	52	0.0	-38.99	401.51	7.18	-31.81
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300013825735	1	49	0.0	-42.99	400.25	6.81	-36.18
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300013825801	1	56	0.0	-42.28	437.78	7.58	-34.70
CC1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013825870	1	45	0.0	-35.07	364.16	6.99	-28.08
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013825906	0	51	0.0	-73.24	371.05	8.90	-64.34
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013825906	1	51	0.0	-72.60	365.43	8.98	-63.62
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013825907	0	51	0.0	-75.63	394.80	8.55	-67.08
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013825907	1	51	0.0	-75.88	394.93	8.58	-67.30
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013825908	0	49	0.0	-77.34	357.10	7.39	-69.95
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013825908	1	49	0.0	-59.85	357.11	7.37	-52.48
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013825909	0	54	0.0	-78.03	397.53	8.25	-69.78
CC(C[N@H+]1CCCC(C)C1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013825909	1	54	0.0	-63.91	391.85	8.62	-55.29
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013825910	0	51	0.0	-72.25	394.80	8.54	-63.71
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013825910	1	51	0.0	-72.67	394.94	8.57	-64.10
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013825911	0	53	0.0	-73.01	400.04	8.01	-65.00
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013825911	1	53	0.0	-73.06	400.04	8.01	-65.05
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013825912	0	61	0.0	-78.67	448.77	12.42	-66.25
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013825912	1	61	0.0	-77.59	442.00	12.38	-65.21
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013825913	0	51	0.0	-76.41	368.83	8.51	-67.90
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013825913	1	51	0.0	-73.91	368.31	8.56	-65.35
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013825914	0	54	0.0	-57.83	386.31	9.54	-48.29
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013825914	1	54	0.0	-56.01	380.47	9.75	-46.26
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013825915	0	54	0.0	-73.40	384.08	9.14	-64.26
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013825915	1	54	0.0	-73.49	377.50	9.19	-64.30
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013825916	0	54	0.0	-79.24	377.11	9.24	-70.00
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013825916	1	54	0.0	-56.16	375.84	9.13	-47.03
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013825917	0	55	0.0	-63.19	397.24	6.63	-56.56
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013825917	1	55	0.0	-62.77	390.41	6.63	-56.14
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013825918	0	53	0.0	-69.26	390.33	7.33	-61.93
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013825918	1	53	0.0	-69.28	390.34	7.33	-61.95
CCC(CC)(CNC(=O)NC(C)C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013825919	0	56	0.0	-60.33	397.93	8.29	-52.04
CCC(CC)(CNC(=O)NC(C)C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013825919	1	56	0.0	-60.77	399.98	8.46	-52.31
CC(C)C(CNC(=O)NC(C)C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013825920	0	53	0.0	-60.96	387.57	7.70	-53.26
CC(C)C(CNC(=O)NC(C)C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013825920	1	53	0.0	-63.55	392.83	7.60	-55.95
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013825921	0	60	0.0	-78.43	426.77	9.22	-69.21
CC(C[N@H+]1CCCC(C)C1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013825921	1	60	0.0	-78.31	426.78	9.19	-69.12
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013825922	0	57	0.0	-61.48	422.01	9.97	-51.51
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013825922	1	57	0.0	-59.81	425.92	9.77	-50.04
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013825923	0	51	0.0	-68.37	371.69	7.74	-60.63
CC(C[N@H+]1CCCC(C)C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013825923	1	51	0.0	-65.33	371.74	7.72	-57.61
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013825924	0	57	0.0	-76.48	411.51	10.35	-66.13
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013825924	1	57	0.0	-76.45	403.95	10.32	-66.13
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013825925	0	53	0.0	-70.85	382.20	7.11	-63.74
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013825925	1	53	0.0	-73.66	388.42	7.22	-66.44
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013825926	0	54	0.0	-57.65	395.56	8.49	-49.16
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013825926	1	54	0.0	-62.45	395.56	8.49	-53.96
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013825927	0	54	0.0	-70.04	378.04	9.66	-60.38
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013825927	1	54	0.0	-72.65	380.11	9.33	-63.32
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013825928	0	51	0.0	-55.48	377.24	7.81	-47.67
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013825928	1	51	0.0	-59.19	369.85	7.77	-51.42
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013825929	0	54	0.0	-73.79	403.05	8.51	-65.28
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013825929	1	54	0.0	-65.56	400.80	8.45	-57.11
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013825930	0	54	0.0	-73.40	384.08	9.14	-64.26
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013825930	1	54	0.0	-73.49	377.50	9.19	-64.30
CC(C)C[C@H](CNC(=O)NC(C)C[N@@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013825931	0	59	0.0	-70.81	423.53	8.88	-61.93
CC(C)C[C@H](CNC(=O)NC(C)C[N@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013825931	1	59	0.0	-71.51	423.13	8.82	-62.69
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013825932	0	51	0.0	-68.83	388.50	8.69	-60.14
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013825932	1	51	0.0	-62.67	388.60	8.67	-54.00
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C[N@@H+]2CCCC(C)C2)C1	REAL300013825933	0	55	0.0	-73.93	399.14	8.46	-65.47
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C[N@H+]2CCCC(C)C2)C1	REAL300013825933	1	55	0.0	-76.55	402.13	7.65	-68.90
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013825934	0	56	0.0	-73.10	410.09	6.02	-67.08
CC(C[N@H+]1CCCC(C)C1)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013825934	1	56	0.0	-75.61	410.09	6.02	-69.59
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013825935	0	61	0.0	-74.89	442.32	10.40	-64.49
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013825935	1	61	0.0	-61.50	447.98	10.21	-51.29
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013825936	0	51	0.0	-55.58	364.38	8.92	-46.66
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013825936	1	51	0.0	-56.57	371.69	8.91	-47.66
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013825937	0	51	0.0	-57.07	365.35	8.94	-48.13
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013825937	1	51	0.0	-56.83	363.98	8.86	-47.97
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013825938	0	51	0.0	-72.25	394.80	8.54	-63.71
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013825938	1	51	0.0	-72.67	394.94	8.57	-64.10
COC(=O)C1CC2(C1)CN(C(=O)NC(C)C[N@@H+]1CCCC(C)C1)CC2C(=O)[O-]	REAL300013825939	0	61	0.0	-63.97	442.79	10.19	-53.78
COC(=O)C1CC2(C1)CN(C(=O)NC(C)C[N@H+]1CCCC(C)C1)CC2C(=O)[O-]	REAL300013825939	1	61	0.0	-63.69	442.58	10.23	-53.46
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013825940	0	57	0.0	-79.05	398.91	10.37	-68.68
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013825940	1	57	0.0	-79.82	397.79	10.26	-69.56
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013825941	0	59	0.0	-75.41	443.04	9.57	-65.84
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013825941	1	59	0.0	-75.42	443.04	9.57	-65.85
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013825942	0	56	0.0	-76.35	421.54	8.79	-67.56
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013825942	1	56	0.0	-76.34	421.54	8.79	-67.55
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013825943	0	54	0.0	-56.73	380.61	9.67	-47.06
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013825943	1	54	0.0	-78.91	379.69	9.62	-69.29
COCC1(C(=O)[O-])CCCN(C(=O)NC(C)C[N@@H+]2CCCC(C)C2)C1	REAL300013825944	0	58	0.0	-82.37	412.14	8.85	-73.52
COCC1(C(=O)[O-])CCCN(C(=O)NC(C)C[N@H+]2CCCC(C)C2)C1	REAL300013825944	1	58	0.0	-57.54	410.08	9.52	-48.02
COCCN(CCC(=O)[O-])C(=O)NC(C)C[N@@H+]1CCCC(C)C1	REAL300013825945	0	54	0.0	-52.69	406.36	8.19	-44.50
COCCN(CCC(=O)[O-])C(=O)NC(C)C[N@H+]1CCCC(C)C1	REAL300013825945	1	54	0.0	-52.89	398.22	8.15	-44.74
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013825946	0	57	0.0	-77.47	405.20	10.39	-67.08
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013825946	1	57	0.0	-78.06	404.98	10.33	-67.73
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013825947	0	55	0.0	-74.89	404.15	11.68	-63.21
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013825947	1	55	0.0	-79.78	407.80	11.03	-68.75
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC(C)C[N@@H+]2CCCC(C)C2)CCO1	REAL300013825948	0	62	0.0	-75.34	453.77	8.59	-66.75
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC(C)C[N@H+]2CCCC(C)C2)CCO1	REAL300013825948	1	62	0.0	-71.82	449.46	9.06	-62.76
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013825949	0	52	0.0	-70.88	383.99	7.68	-63.20
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013825949	1	52	0.0	-71.70	376.90	7.64	-64.06
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013825950	0	54	0.0	-55.48	379.99	9.44	-46.04
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013825950	1	54	0.0	-55.34	379.27	9.46	-45.88
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013825951	0	58	0.0	-62.95	425.90	11.52	-51.43
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013825951	1	58	0.0	-62.11	427.52	11.50	-50.61
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013825952	0	52	0.0	-75.05	374.46	6.51	-68.54
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013825952	1	52	0.0	-75.47	374.32	6.47	-69.00
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013825953	0	55	0.0	-70.85	406.02	9.63	-61.22
CC(C[N@H+]1CCCC(C)C1)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013825953	1	55	0.0	-71.30	406.78	9.60	-61.70
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013825954	0	58	0.0	-81.36	422.93	8.70	-72.66
CC(C[N@H+]1CCCC(C)C1)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013825954	1	58	0.0	-78.72	416.40	8.79	-69.93
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C[N@@H+]2CCCC(C)C2)CC1	REAL300013825955	0	58	0.0	-77.72	415.40	9.13	-68.59
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C[N@H+]2CCCC(C)C2)CC1	REAL300013825955	1	58	0.0	-76.68	408.30	9.08	-67.60
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013825956	0	49	0.0	-77.59	372.36	7.26	-70.33
CC(C[N@H+]1CCCC(C)C1)NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013825956	1	49	0.0	-77.87	372.51	7.26	-70.61
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013825957	0	60	0.0	-64.36	418.16	9.23	-55.13
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013825957	1	60	0.0	-65.59	418.33	9.18	-56.41
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013825958	0	54	0.0	-66.70	391.68	8.61	-58.09
CC(C[N@H+]1CCCC(C)C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013825958	1	54	0.0	-66.98	393.12	8.69	-58.29
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013825959	0	57	0.0	-74.69	415.87	8.93	-65.76
CC(C[N@H+]1CCCC(C)C1)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013825959	1	57	0.0	-74.94	416.04	8.94	-66.00
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013825960	0	54	0.0	-66.26	389.58	9.61	-56.65
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013825960	1	54	0.0	-75.35	381.64	9.54	-65.81
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013825961	0	55	0.0	-77.04	406.18	9.03	-68.01
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013825961	1	55	0.0	-76.81	398.24	8.95	-67.86
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013825962	0	54	0.0	-71.16	390.28	8.25	-62.91
CC(C[N@H+]1CCCC(C)C1)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013825962	1	54	0.0	-69.89	397.61	8.24	-61.65
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013825963	0	54	0.0	-66.07	392.49	8.63	-57.44
CC(C[N@H+]1CCCC(C)C1)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013825963	1	54	0.0	-70.62	389.48	8.23	-62.39
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013825964	0	55	0.0	-60.42	399.48	6.82	-53.60
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013825964	1	55	0.0	-56.90	399.51	6.82	-50.08
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013825965	0	52	0.0	-61.55	384.18	5.78	-55.77
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013825965	1	52	0.0	-55.58	385.00	5.83	-49.75
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013825966	0	63	0.0	-75.59	470.02	10.93	-64.66
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013825966	1	63	0.0	-75.54	470.07	10.93	-64.61
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013825967	0	49	0.0	-67.68	373.69	7.73	-59.95
CC(C[N@H+]1CCCC(C)C1)NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013825967	1	49	0.0	-68.05	374.15	7.74	-60.31
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013825968	0	55	0.0	-61.24	390.51	9.68	-51.56
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013825968	1	55	0.0	-61.19	390.36	9.65	-51.54
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013825969	0	51	0.0	-67.80	383.63	8.83	-58.97
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013825969	1	51	0.0	-64.42	384.24	8.78	-55.64
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013825970	0	52	0.0	-59.45	379.22	8.14	-51.31
CC(C[N@H+]1CCCC(C)C1)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013825970	1	52	0.0	-79.44	379.28	8.15	-71.29
COC1CC(C(=O)[O-])CN(C(=O)NC(C)C[N@@H+]2CCCC(C)C2)C1	REAL300013825971	0	55	0.0	-57.46	397.63	7.94	-49.52
COC1CC(C(=O)[O-])CN(C(=O)NC(C)C[N@H+]2CCCC(C)C2)C1	REAL300013825971	1	55	0.0	-56.19	396.47	8.04	-48.15
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013825972	0	49	0.0	-76.81	373.23	7.73	-69.08
CC(C[N@H+]1CCCC(C)C1)NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013825972	1	49	0.0	-77.33	373.12	7.75	-69.58
CCCCC1CCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013826004	1	60	0.0	-39.35	429.88	9.18	-30.17
CCCC1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013826093	1	54	0.0	-39.12	391.24	8.36	-30.76
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=CC(Cl)=C3)CCCC2)CC1	REAL300013826160	1	55	0.0	-35.75	424.08	10.38	-25.37
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)CC1	REAL300013826226	1	56	0.0	-37.47	417.09	7.39	-30.08
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=C(F)C=C3)CCOCC2)CC1	REAL300013826296	1	56	0.0	-37.92	417.32	7.41	-30.51
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=C(F)C=C3)CCCCC2)CC1	REAL300013826362	1	58	0.0	-36.41	425.28	9.75	-26.66
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCOC3=C(Cl)C=CC=C32)CC1	REAL300013826429	1	47	0.0	-38.29	373.68	6.42	-31.87
CC1CCCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013826482	1	51	0.0	-35.31	376.07	7.30	-28.01
CC1CCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013826519	1	51	0.0	-39.30	368.65	7.05	-32.25
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3=CC(Br)=CC=C32)CC1	REAL300013826576	1	46	0.0	-36.75	375.22	8.00	-28.75
CC1=CC(OCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(C)=C1	REAL300013826642	1	52	0.0	-37.43	405.87	7.23	-30.20
CNC(=O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013826716	1	49	0.0	-46.86	389.62	4.55	-42.31
COC1=CC=C(N2C=CC(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=N2)C=C1	REAL300013826791	1	53	0.0	-40.19	421.52	6.67	-33.52
CCOC(=O)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013826909	1	51	0.0	-43.36	409.81	7.86	-35.50
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3=CC(F)=CC=C32)CC1	REAL300013826980	1	46	0.0	-37.40	360.32	7.44	-29.96
CC1=CC=C2C(=C1)CCC2NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013827047	1	49	0.0	-36.84	375.34	8.04	-28.80
CC(COC1=CC=CC=C1F)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013827116	1	49	0.0	-41.97	387.83	6.82	-35.15
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2N2C=CN=C2)CC1	REAL300013827190	1	49	0.0	-40.76	384.18	9.43	-31.33
CC(COC1=CC=C(F)C=C1F)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013827266	1	49	0.0	-37.95	394.64	6.92	-31.03
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3=C(Cl)C=CC=C32)CC1	REAL300013827339	1	46	0.0	-36.70	372.80	8.05	-28.65
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=CC(Cl)=C2Cl)CC1	REAL300013827412	1	46	0.0	-44.06	393.86	6.88	-37.18
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3=CC(Cl)=CC=C32)CC1	REAL300013827478	1	46	0.0	-36.77	370.65	7.88	-28.89
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C(Cl)=C1	REAL300013827552	1	45	0.0	-37.31	373.21	7.69	-29.62
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013827595	0	54	0.0	-73.47	391.55	9.46	-64.01
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013827596	0	54	0.0	-76.21	415.34	9.04	-67.17
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013827597	0	52	0.0	-77.16	383.10	7.63	-69.53
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013827598	0	57	0.0	-66.97	412.51	9.20	-57.77
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCCCCC(=O)[O-]	REAL300013827599	0	53	0.0	-75.37	398.82	7.78	-67.59
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013827600	0	54	0.0	-72.71	415.76	9.15	-63.56
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013827601	0	56	0.0	-73.89	420.32	8.56	-65.33
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013827602	0	53	0.0	-75.52	391.26	7.66	-67.86
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013827603	0	54	0.0	-78.33	395.88	9.13	-69.20
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013827604	0	57	0.0	-56.47	408.68	10.33	-46.14
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013827605	0	57	0.0	-75.49	398.80	9.83	-65.66
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013827606	0	57	0.0	-54.87	407.38	9.83	-45.04
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013827607	0	58	0.0	-58.42	418.08	7.23	-51.19
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013827608	0	56	0.0	-70.04	410.61	7.88	-62.16
CCC(CC)(CNC(=O)NC(C)C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013827609	0	59	0.0	-60.65	418.21	8.84	-51.81
CC(C)C(CNC(=O)NC(C)C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013827610	0	56	0.0	-61.41	407.85	8.25	-53.16
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013827611	0	63	0.0	-75.98	451.44	9.59	-66.39
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013827612	0	60	0.0	-60.77	446.46	10.26	-50.51
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013827613	0	54	0.0	-68.92	399.30	8.32	-60.60
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013827614	0	60	0.0	-75.10	432.40	10.95	-64.15
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013827615	0	56	0.0	-75.23	409.73	7.68	-67.55
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013827616	0	57	0.0	-62.45	416.33	9.09	-53.36
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013827617	0	57	0.0	-69.62	405.17	10.28	-59.34
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013827618	0	54	0.0	-56.15	398.47	8.41	-47.74
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013827619	0	57	0.0	-70.98	423.38	9.02	-61.96
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013827620	0	57	0.0	-75.49	398.80	9.83	-65.66
CC(C)C[C@H](CNC(=O)NC(C)C[NH+]1CC(C)CC(C)C1)CC(=O)[O-]	REAL300013827621	0	62	0.0	-65.16	449.78	9.64	-55.52
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013827622	0	54	0.0	-68.48	409.24	9.25	-59.23
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C[NH+]2CC(C)CC(C)C2)C1	REAL300013827623	0	58	0.0	-77.02	429.59	8.19	-68.83
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013827624	0	51	0.0	-69.89	382.95	7.59	-62.30
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013827625	0	59	0.0	-72.54	431.38	6.66	-65.88
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013827626	0	54	0.0	-77.08	391.98	9.54	-67.54
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013827627	0	54	0.0	-77.84	393.10	9.57	-68.27
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NC1CC(C(=O)[O-])C1	REAL300013827628	0	51	0.0	-68.38	383.46	7.62	-60.76
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013827629	0	51	0.0	-71.87	376.52	7.66	-64.21
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013827630	0	54	0.0	-72.71	415.76	9.15	-63.56
CCC(CNC(=O)NC(C)C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013827631	0	53	0.0	-60.32	396.33	7.66	-52.66
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013827632	0	60	0.0	-79.07	426.20	10.88	-68.19
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013827633	0	62	0.0	-76.26	463.32	10.12	-66.14
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013827634	0	59	0.0	-77.25	441.82	9.34	-67.91
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N(C)CCCC(=O)[O-]	REAL300013827635	0	53	0.0	-75.86	394.95	9.38	-66.48
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013827636	0	57	0.0	-78.58	407.25	10.28	-68.30
COCC1(C(=O)[O-])CCCN(C(=O)NC(C)C[NH+]2CC(C)CC(C)C2)C1	REAL300013827637	0	61	0.0	-81.80	437.79	9.05	-72.75
COCCN(CCC(=O)[O-])C(=O)NC(C)C[NH+]1CC(C)CC(C)C1	REAL300013827638	0	57	0.0	-55.01	425.13	8.42	-46.59
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013827639	0	60	0.0	-78.21	432.66	10.94	-67.27
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013827640	0	58	0.0	-80.41	425.00	12.26	-68.15
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013827641	0	55	0.0	-71.34	398.04	8.27	-63.07
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013827642	0	57	0.0	-55.41	407.57	10.01	-45.40
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013827643	0	61	0.0	-62.73	446.76	12.09	-50.64
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013827644	0	55	0.0	-75.24	402.03	7.10	-68.14
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013827645	0	58	0.0	-73.11	438.32	10.36	-62.75
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013827646	0	61	0.0	-87.19	444.09	9.35	-77.84
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C[NH+]2CC(C)CC(C)C2)CC1	REAL300013827647	0	61	0.0	-78.78	430.81	8.96	-69.82
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013827648	0	52	0.0	-78.05	392.82	7.74	-70.31
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013827649	0	63	0.0	-68.28	437.57	9.41	-58.87
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013827650	0	57	0.0	-65.08	403.60	8.80	-56.28
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013827651	0	60	0.0	-74.62	429.98	9.54	-65.08
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013827652	0	57	0.0	-66.50	410.09	10.17	-56.33
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013827653	0	58	0.0	-77.94	426.63	9.55	-68.39
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013827654	0	57	0.0	-71.23	411.11	8.83	-62.40
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013827655	0	57	0.0	-69.47	417.87	8.82	-60.65
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013827656	0	58	0.0	-62.22	416.48	7.73	-54.49
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013827657	0	55	0.0	-58.03	405.01	6.37	-51.66
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013827658	0	52	0.0	-70.41	394.73	8.22	-62.19
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1(C(=O)[O-])CC1	REAL300013827659	0	51	0.0	-55.05	383.64	8.00	-47.05
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013827660	0	58	0.0	-62.52	421.43	10.37	-52.15
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013827661	0	54	0.0	-64.52	412.37	9.34	-55.18
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013827662	0	55	0.0	-79.94	400.65	8.82	-71.12
COC1CC(C(=O)[O-])CN(C(=O)NC(C)C[NH+]2CC(C)CC(C)C2)C1	REAL300013827663	0	58	0.0	-77.26	425.18	8.49	-68.77
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N1CCC(C(=O)[O-])C1	REAL300013827664	0	51	0.0	-72.89	379.04	8.65	-64.24
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013827665	0	52	0.0	-77.44	393.78	8.33	-69.11
CC(CCC(=O)[O-])NC(=O)NC(C)C[NH+]1CC(C)CC(C)C1	REAL300013827666	0	53	0.0	-66.12	397.08	7.99	-58.13
CC1=CC=CC=C1C1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCOCC1	REAL300013827698	1	59	0.0	-37.27	420.09	7.61	-29.66
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=C(Cl)C=C3)CCCC2)CC1	REAL300013827764	1	55	0.0	-35.50	422.93	10.38	-25.12
CC(C)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013827901	1	51	0.0	-35.32	393.36	8.20	-27.12
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2N2CCCC2)CC1	REAL300013827973	1	54	0.0	-36.01	398.87	7.68	-28.33
COC1=CC=C(OCCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013828048	1	53	0.0	-38.90	413.72	5.88	-33.02
CC(C)COC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013828123	1	55	0.0	-36.55	426.11	7.99	-28.56
CC1=CC=CC(C)=C1OCC(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013828198	1	55	0.0	-35.67	423.41	8.29	-27.38
CN(C)C(=O)CCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013828253	1	48	0.0	-40.96	371.72	4.28	-36.68
CC1=CC(Cl)=CC=C1OCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013828315	1	52	0.0	-37.63	421.02	7.86	-29.77
CC1=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)OC2=CC=CC=C21	REAL300013828490	1	51	0.0	-37.06	400.39	8.19	-28.87
CC1=NC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013828544	1	41	0.0	-36.90	339.45	4.19	-32.71
O=C([O-])C[NH+]1CCC(NC(=O)NCC(=O)N2CCCC3=CC=CC=C32)CC1	REAL300013828603	1	53	0.0	-39.57	402.49	7.17	-32.40
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCN(C3=CC=C(F)C=C3)C2)CC1	REAL300013828718	1	54	0.0	-38.23	415.78	6.79	-31.44
CC(C)(CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013828789	1	54	0.0	-36.55	401.79	8.32	-28.23
CCN(CC1=CC=CC=C1)C(=O)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013828964	1	55	0.0	-38.23	428.87	7.72	-30.51
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCC(C(=O)[O-])CC3)CC2)=CS1	REAL300013829021	1	57	0.0	-74.55	437.91	9.23	-65.32
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCOC(C(=O)[O-])C3)CC2)=CS1	REAL300013829022	1	55	0.0	-82.23	430.73	7.66	-74.57
CCC1=NC(C[NH+]2CCC(CNC(=O)NCCCCC(=O)[O-])CC2)=CS1	REAL300013829023	1	56	0.0	-78.30	445.83	7.86	-70.44
CCC1=NC(C[NH+]2CCC(CNC(=O)NCCC(=O)[O-])CC2)=CS1	REAL300013829024	1	50	0.0	-75.33	402.83	6.28	-69.05
CCC1=NC(C[NH+]2CCC(CNC(=O)NCCCCCC(=O)[O-])CC2)=CS1	REAL300013829025	1	59	0.0	-76.55	467.33	8.64	-67.91
CCC1=NC(C[NH+]2CCC(CNC(=O)NCC(C)(C)C(=O)[O-])CC2)=CS1	REAL300013829026	1	56	0.0	-78.60	437.69	7.75	-70.85
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCC(C)(C(=O)[O-])C3)CC2)=CS1	REAL300013829027	1	57	0.0	-78.70	444.76	8.77	-69.93
CCC1=NC(C[NH+]2CCC(CNC(=O)NCCCC(=O)[O-])CC2)=CS1	REAL300013829028	1	53	0.0	-72.22	424.33	7.07	-65.15
CCC1=NC(C[NH+]2CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])CC2)=CS1	REAL300013829029	1	59	0.0	-72.95	457.62	7.96	-64.99
CCC1=NC(C[NH+]2CCC(CNC(=O)NCC(C)C(=O)[O-])CC2)=CS1	REAL300013829030	1	53	0.0	-76.38	420.50	7.02	-69.36
CCC1=NC(C[NH+]2CCC(CNC(=O)NCC(C(=O)[O-])C(C)C)CC2)=CS1	REAL300013829031	1	59	0.0	-67.00	454.86	8.33	-58.67
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=CS1	REAL300013829032	1	57	0.0	-70.38	445.28	7.97	-62.41
CCC1=NC(C[NH+]2CCC(CNC(=O)NCC3(C(=O)[O-])CCC3)CC2)=CS1	REAL300013829033	1	57	0.0	-66.15	445.24	7.92	-58.23
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)=CS1	REAL300013829034	1	54	0.0	-73.64	429.35	7.35	-66.29
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2)=CS1	REAL300013829035	1	57	0.0	-82.32	438.26	9.24	-73.08
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)CC2)=CS1	REAL300013829036	1	57	0.0	-62.95	439.46	9.30	-53.65
CCC1=NC(C[NH+]2CCC(CNC(=O)NC3CC(C(=O)[O-])C3)CC2)=CS1	REAL300013829037	1	54	0.0	-73.63	429.34	7.35	-66.28
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)=CS1	REAL300013829038	1	54	0.0	-75.36	429.28	7.69	-67.67
CCC1=NC(C[NH+]2CCC(CNC(=O)NCC(CC)C(=O)[O-])CC2)=CS1	REAL300013829039	1	56	0.0	-66.47	443.33	7.74	-58.73
CCC1=NC(C[NH+]2CCC(CNC(=O)N(C)CCCC(=O)[O-])CC2)=CS1	REAL300013829040	1	56	0.0	-79.87	441.96	9.48	-70.39
CCC1=NC(C[NH+]2CCC(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)CC2)=CS1	REAL300013829041	1	55	0.0	-81.31	439.07	7.51	-73.80
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)CC2)=CS1	REAL300013829042	1	55	0.0	-73.98	440.93	8.06	-65.92
CCC1=NC(C[NH+]2CCC(CNC(=O)NCC3(C(=O)[O-])CC3)CC2)=CS1	REAL300013829043	1	54	0.0	-64.06	429.14	7.55	-56.51
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CC(C(=O)[O-])C3)CC2)=CS1	REAL300013829044	1	51	0.0	-69.00	410.12	7.49	-61.51
CCC1=NC(C[NH+]2CCC(CNC(=O)N3CCC(C(=O)[O-])C3)CC2)=CS1	REAL300013829045	1	54	0.0	-77.90	425.04	8.30	-69.60
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)CC2)=CS1	REAL300013829046	1	55	0.0	-80.64	440.49	8.09	-72.55
CCC1=NC(C[NH+]2CCC(CNC(=O)NC(C)CCC(=O)[O-])CC2)=CS1	REAL300013829047	1	56	0.0	-69.34	444.09	8.09	-61.25
CCC1=C2NC=C(CCNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=CC=C1	REAL300013829081	1	55	0.0	-44.03	429.46	8.51	-35.52
CN1CC[N@H+](C)CC1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013829122	0	47	0.0	-77.30	361.32	4.28	-73.02
CN1CC[N@@H+](C)CC1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013829122	1	47	0.0	-77.33	361.40	4.27	-73.06
CN1CC[N@H+](C)CC1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013829123	0	45	0.0	-80.87	337.36	3.42	-77.45
CN1CC[N@@H+](C)CC1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013829123	1	45	0.0	-81.66	329.99	2.99	-78.67
CN1CC[N@H+](C)CC1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013829124	0	50	0.0	-70.90	358.10	4.23	-66.67
CN1CC[N@@H+](C)CC1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013829124	1	50	0.0	-80.46	371.29	4.29	-76.17
CN1CC[N@H+](C)CC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013829125	0	47	0.0	-74.83	361.31	4.26	-70.57
CN1CC[N@@H+](C)CC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013829125	1	47	0.0	-74.83	361.40	4.26	-70.57
CN1CC[N@H+](C)CC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013829126	0	49	0.0	-75.78	366.54	3.73	-72.05
CN1CC[N@@H+](C)CC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013829126	1	49	0.0	-75.89	373.90	4.05	-71.84
CN1CC[N@H+](C)CC1CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013829127	0	57	0.0	-74.97	417.24	8.12	-66.85
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013829127	1	57	0.0	-83.56	414.91	8.04	-75.52
CC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@H+](C)CCN2C)C1	REAL300013829128	0	50	0.0	-80.74	367.01	5.71	-75.03
CC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@@H+](C)CCN2C)C1	REAL300013829128	1	50	0.0	-59.85	354.78	5.39	-54.46
CN1CC[N@H+](C)CC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013829129	0	50	0.0	-74.36	357.87	5.30	-69.06
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013829129	1	50	0.0	-76.22	358.76	5.39	-70.83
CC1CCN(C(=O)NCC2C[N@H+](C)CCN2C)CC1C(=O)[O-]	REAL300013829130	0	50	0.0	-79.78	355.29	5.33	-74.45
CC1CCN(C(=O)NCC2C[N@@H+](C)CCN2C)CC1C(=O)[O-]	REAL300013829130	1	50	0.0	-59.40	364.83	5.66	-53.74
CN1CC[N@H+](C)CC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013829131	0	51	0.0	-62.65	371.16	2.77	-59.88
CN1CC[N@@H+](C)CC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013829131	1	51	0.0	-63.27	363.71	2.32	-60.95
CN1CC[N@H+](C)CC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013829132	0	49	0.0	-72.15	356.84	3.05	-69.10
CN1CC[N@@H+](C)CC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013829132	1	49	0.0	-72.73	364.19	3.38	-69.35
CCC(CC)(CNC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300013829133	0	52	0.0	-64.58	376.49	4.18	-60.40
CCC(CC)(CNC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300013829133	1	52	0.0	-63.80	369.14	3.85	-59.95
CC(C)C(CNC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300013829134	0	49	0.0	-63.16	351.09	3.32	-59.84
CC(C)C(CNC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300013829134	1	49	0.0	-67.29	351.29	3.29	-64.00
CC(NC(=O)NCC1C[N@H+](C)CCN1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013829135	0	56	0.0	-81.57	395.98	4.74	-76.83
CC(NC(=O)NCC1C[N@@H+](C)CCN1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013829135	1	56	0.0	-76.32	397.06	4.83	-71.49
CN1CC[N@H+](C)CC1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013829136	0	53	0.0	-63.17	386.95	5.60	-57.57
CN1CC[N@@H+](C)CC1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013829136	1	53	0.0	-62.56	394.39	6.05	-56.51
CN1CC[N@H+](C)CC1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013829137	0	53	0.0	-76.79	377.93	5.96	-70.83
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013829137	1	53	0.0	-79.60	377.59	5.99	-73.61
CN1CC[N@H+](C)CC1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013829138	0	49	0.0	-75.75	355.39	2.70	-73.05
CN1CC[N@@H+](C)CC1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013829138	1	49	0.0	-80.02	355.54	2.80	-77.22
CN1CC[N@H+](C)CC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013829139	0	50	0.0	-68.48	362.06	4.21	-64.27
CN1CC[N@@H+](C)CC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013829139	1	50	0.0	-63.16	362.08	4.20	-58.96
CC1CN(C(=O)NCC2C[N@H+](C)CCN2C)CCC1C(=O)[O-]	REAL300013829140	0	50	0.0	-74.17	349.87	5.41	-68.76
CC1CN(C(=O)NCC2C[N@@H+](C)CCN2C)CCC1C(=O)[O-]	REAL300013829140	1	50	0.0	-75.33	357.65	5.72	-69.61
CN1CC[N@H+](C)CC1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013829141	0	50	0.0	-78.22	369.25	4.21	-74.01
CN1CC[N@@H+](C)CC1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013829141	1	50	0.0	-67.21	367.54	4.20	-63.01
CN1CC[N@H+](C)CC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013829142	0	50	0.0	-74.36	357.87	5.30	-69.06
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013829142	1	50	0.0	-76.22	358.76	5.39	-70.83
CC(C)C[C@H](CNC(=O)NCC1C[N@H+](C)CCN1C)CC(=O)[O-]	REAL300013829143	0	55	0.0	-75.34	389.05	4.39	-70.95
CC(C)C[C@H](CNC(=O)NCC1C[N@@H+](C)CCN1C)CC(=O)[O-]	REAL300013829143	1	55	0.0	-70.59	390.13	4.53	-66.06
CN1CC[N@H+](C)CC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013829144	0	47	0.0	-75.40	354.94	4.38	-71.02
CN1CC[N@@H+](C)CC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013829144	1	47	0.0	-75.30	362.28	4.70	-70.60
COCC1(C(=O)[O-])CCN(C(=O)NCC2C[N@H+](C)CCN2C)C1	REAL300013829145	0	51	0.0	-81.17	375.36	3.35	-77.82
COCC1(C(=O)[O-])CCN(C(=O)NCC2C[N@@H+](C)CCN2C)C1	REAL300013829145	1	51	0.0	-84.68	372.75	3.72	-80.96
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3C[N@H+](C)CCN3C)C2)C=N1	REAL300013829147	0	57	0.0	-78.60	422.86	6.46	-72.14
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC3C[N@@H+](C)CCN3C)C2)C=N1	REAL300013829147	1	57	0.0	-79.14	415.41	6.01	-73.13
CN1CC[N@H+](C)CC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013829148	0	47	0.0	-74.83	361.31	4.26	-70.57
CN1CC[N@@H+](C)CC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013829148	1	47	0.0	-74.83	361.40	4.26	-70.57
COC(=O)C1CC2(C1)CN(C(=O)NCC1C[N@H+](C)CCN1C)CC2C(=O)[O-]	REAL300013829149	0	57	0.0	-70.44	421.70	6.01	-64.43
COC(=O)C1CC2(C1)CN(C(=O)NCC1C[N@@H+](C)CCN1C)CC2C(=O)[O-]	REAL300013829149	1	57	0.0	-68.47	427.76	6.44	-62.03
CN1CC[N@H+](C)CC1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013829150	0	53	0.0	-83.47	371.49	6.01	-77.46
CN1CC[N@@H+](C)CC1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013829150	1	53	0.0	-85.41	370.95	5.94	-79.47
CN1CC[N@H+](C)CC1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013829151	0	55	0.0	-77.93	409.54	5.29	-72.64
CN1CC[N@@H+](C)CC1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013829151	1	55	0.0	-78.07	416.90	5.61	-72.46
CN1CC[N@H+](C)CC1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013829152	0	52	0.0	-79.11	388.04	4.51	-74.60
CN1CC[N@@H+](C)CC1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013829152	1	52	0.0	-79.25	395.40	4.83	-74.42
CN1CC[N@H+](C)CC1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013829153	0	50	0.0	-81.41	352.93	5.37	-76.04
CN1CC[N@@H+](C)CC1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013829153	1	50	0.0	-83.24	353.08	5.29	-77.95
COCC1(C(=O)[O-])CCCN(C(=O)NCC2C[N@H+](C)CCN2C)C1	REAL300013829154	0	54	0.0	-85.64	383.65	5.06	-80.58
COCC1(C(=O)[O-])CCCN(C(=O)NCC2C[N@@H+](C)CCN2C)C1	REAL300013829154	1	54	0.0	-61.77	379.78	4.33	-57.44
COCCN(CCC(=O)[O-])C(=O)NCC1C[N@H+](C)CCN1C	REAL300013829155	0	50	0.0	-59.30	375.89	4.47	-54.83
COCCN(CCC(=O)[O-])C(=O)NCC1C[N@@H+](C)CCN1C	REAL300013829155	1	50	0.0	-59.79	372.89	3.92	-55.87
CN1CC[N@H+](C)CC1CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013829156	0	56	0.0	-83.60	418.08	6.47	-77.13
CN1CC[N@@H+](C)CC1CNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013829156	1	56	0.0	-80.44	411.45	6.66	-73.78
CN1CC[N@H+](C)CC1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013829157	0	53	0.0	-80.34	385.55	6.54	-73.80
CN1CC[N@@H+](C)CC1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013829157	1	53	0.0	-80.19	385.83	6.53	-73.66
CN1CC[N@H+](C)CC1CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013829158	0	51	0.0	-86.37	378.70	6.95	-79.42
CN1CC[N@@H+](C)CC1CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013829158	1	51	0.0	-81.39	380.67	7.21	-74.18
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2C[N@@H+](C)CCN2C)CCO1	REAL300013829159	0	58	0.0	-78.85	435.01	4.56	-74.29
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC2C[N@H+](C)CCN2C)CCO1	REAL300013829159	1	58	0.0	-80.00	426.37	4.21	-75.79
CN1CC[N@H+](C)CC1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013829160	0	48	0.0	-69.25	350.36	3.36	-65.89
CN1CC[N@@H+](C)CC1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013829160	1	48	0.0	-69.41	350.23	3.26	-66.15
CC1CCC(C(=O)[O-])CN1C(=O)NCC1C[N@H+](C)CCN1C	REAL300013829161	0	50	0.0	-58.32	353.72	5.13	-53.19
CC1CCC(C(=O)[O-])CN1C(=O)NCC1C[N@@H+](C)CCN1C	REAL300013829161	1	50	0.0	-56.45	359.24	5.67	-50.78
CN1CC[N@H+](C)CC1CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013829162	0	54	0.0	-67.34	400.64	7.14	-60.20
CN1CC[N@@H+](C)CC1CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013829162	1	54	0.0	-60.84	399.11	7.20	-53.64
CN1CC[N@H+](C)CC1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013829163	0	48	0.0	-78.60	347.66	2.21	-76.39
CN1CC[N@@H+](C)CC1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013829163	1	48	0.0	-79.83	347.20	2.09	-77.74
CN1CC[N@H+](C)CC1CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013829164	0	51	0.0	-74.44	380.83	5.28	-69.16
CN1CC[N@@H+](C)CC1CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013829164	1	51	0.0	-72.90	388.36	5.85	-67.05
CN1CC[N@H+](C)CC1CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013829165	0	54	0.0	-93.50	397.00	4.83	-88.67
CN1CC[N@@H+](C)CC1CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013829165	1	54	0.0	-82.28	397.14	4.93	-77.35
COCC1(C(=O)[O-])CCN(C(=O)NCC2C[N@H+](C)CCN2C)CC1	REAL300013829166	0	54	0.0	-78.18	382.74	3.96	-74.22
COCC1(C(=O)[O-])CCN(C(=O)NCC2C[N@@H+](C)CCN2C)CC1	REAL300013829166	1	54	0.0	-77.38	389.87	4.42	-72.96
CN1CC[N@H+](C)CC1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013829167	0	56	0.0	-75.43	391.91	5.37	-70.06
CN1CC[N@@H+](C)CC1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013829167	1	56	0.0	-69.96	384.39	4.82	-65.14
CN1CC[N@H+](C)CC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013829168	0	50	0.0	-66.13	359.52	4.40	-61.73
CN1CC[N@@H+](C)CC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013829168	1	50	0.0	-70.62	359.60	4.39	-66.23
CN1CC[N@H+](C)CC1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013829169	0	53	0.0	-75.83	389.89	5.10	-70.73
CN1CC[N@@H+](C)CC1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013829169	1	53	0.0	-77.47	391.05	5.00	-72.47
CN1CC[N@H+](C)CC1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013829170	0	50	0.0	-69.32	355.62	5.18	-64.14
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013829170	1	50	0.0	-78.78	355.27	5.21	-73.57
CN1CC[N@H+](C)CC1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013829171	0	51	0.0	-78.79	372.22	4.61	-74.18
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013829171	1	51	0.0	-80.57	371.86	4.63	-75.94
CN1CC[N@H+](C)CC1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013829172	0	50	0.0	-72.64	371.30	4.29	-68.35
CN1CC[N@@H+](C)CC1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013829172	1	50	0.0	-73.34	370.87	4.40	-68.94
CN1CC[N@H+](C)CC1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013829173	0	50	0.0	-70.00	359.43	4.26	-65.74
CN1CC[N@@H+](C)CC1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013829173	1	50	0.0	-69.00	359.07	4.37	-64.63
CN1CC[N@H+](C)CC1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013829174	0	51	0.0	-66.22	365.88	2.54	-63.68
CN1CC[N@@H+](C)CC1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013829174	1	51	0.0	-66.24	373.24	2.85	-63.39
CN1CC[N@H+](C)CC1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013829175	0	48	0.0	-62.16	350.56	1.49	-60.67
CN1CC[N@@H+](C)CC1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013829175	1	48	0.0	-62.82	357.92	1.82	-61.00
CN1CC[N@H+](C)CC1CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013829176	0	59	0.0	-77.91	436.49	6.54	-71.37
CN1CC[N@@H+](C)CC1CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013829176	1	59	0.0	-76.89	436.62	6.64	-70.25
CN1CC[N@H+](C)CC1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013829177	0	51	0.0	-66.45	374.55	5.92	-60.53
CN1CC[N@@H+](C)CC1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013829177	1	51	0.0	-65.60	373.28	5.87	-59.73
CN1CC[N@H+](C)CC1CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013829178	0	47	0.0	-71.63	365.02	4.94	-66.69
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013829178	1	47	0.0	-76.73	356.85	4.53	-72.20
CN1CC[N@H+](C)CC1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013829179	0	48	0.0	-81.44	352.89	4.24	-77.20
CN1CC[N@@H+](C)CC1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013829179	1	48	0.0	-80.25	353.33	4.32	-75.93
COC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@H+](C)CCN2C)C1	REAL300013829180	0	51	0.0	-60.50	377.70	4.06	-56.44
COC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@@H+](C)CCN2C)C1	REAL300013829180	1	51	0.0	-61.43	370.94	3.65	-57.78
CN1CC[N@H+](C)CC1CNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013829181	0	56	0.0	-87.57	423.52	3.55	-84.02
CN1CC[N@@H+](C)CC1CNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013829181	1	56	0.0	-80.17	424.09	3.66	-76.51
O=C([O-])C1CCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CC1	REAL300013829182	0	56	0.0	-73.31	424.99	9.70	-63.61
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C=C1	REAL300013829183	0	56	0.0	-77.31	447.37	9.53	-67.78
O=C([O-])C1CN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCO1	REAL300013829184	0	54	0.0	-80.12	416.37	8.37	-71.75
O=C([O-])C1CCC(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CC1	REAL300013829185	0	59	0.0	-70.92	444.25	9.61	-61.31
O=C([O-])CCCCNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013829186	0	55	0.0	-76.90	432.83	8.02	-68.88
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)=CC=C1	REAL300013829187	0	56	0.0	-77.02	449.09	9.33	-67.69
O=C([O-])CCNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013829188	0	49	0.0	-74.68	389.83	6.44	-68.24
O=C([O-])CCCCCNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013829189	0	58	0.0	-75.42	454.32	8.80	-66.62
CC(C)(CNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013829190	0	55	0.0	-77.13	424.68	7.91	-69.22
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013829191	0	56	0.0	-81.24	427.60	9.55	-71.69
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013829192	0	59	0.0	-64.61	440.42	10.76	-53.85
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CC1	REAL300013829193	0	59	0.0	-76.88	437.52	10.23	-66.65
O=C([O-])CCCNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013829194	0	52	0.0	-71.81	411.33	7.24	-64.57
CC1CCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CC1C(=O)[O-]	REAL300013829195	0	59	0.0	-79.86	439.51	10.36	-69.50
CC(C)(CCNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013829196	0	58	0.0	-72.43	444.62	8.12	-64.31
CCC(CC)(CNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013829197	0	61	0.0	-69.53	456.92	8.92	-60.61
CC(CNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013829198	0	52	0.0	-75.70	408.38	7.20	-68.50
CC(C)C(CNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013829199	0	58	0.0	-70.00	447.12	8.38	-61.62
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013829200	0	56	0.0	-70.78	431.03	8.68	-62.10
O=C([O-])C1(CNC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCCC1	REAL300013829201	0	59	0.0	-70.23	448.06	9.48	-60.75
CC1CN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCC1C(=O)[O-]	REAL300013829202	0	59	0.0	-74.50	436.77	10.64	-63.86
O=C([O-])C1(CNC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCC1	REAL300013829203	0	56	0.0	-68.27	430.98	8.63	-59.64
O=C([O-])CC(CNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1CC1	REAL300013829204	0	59	0.0	-78.76	455.11	9.41	-69.35
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CC1	REAL300013829205	0	59	0.0	-76.88	437.52	10.23	-66.65
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013829206	0	56	0.0	-76.74	440.97	9.65	-67.09
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013829207	0	53	0.0	-72.53	416.45	7.80	-64.73
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013829208	0	56	0.0	-64.82	424.24	9.92	-54.90
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013829209	0	56	0.0	-66.21	424.77	9.96	-56.25
O=C([O-])C1CC(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013829210	0	53	0.0	-73.08	415.07	7.99	-65.09
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013829211	0	53	0.0	-74.60	414.58	8.04	-66.56
O=C([O-])C1=CC(CNC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)=CC=C1	REAL300013829212	0	56	0.0	-77.02	449.09	9.33	-67.69
CCC(CNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013829213	0	55	0.0	-69.40	430.33	7.90	-61.50
O=C([O-])CCCCCCNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013829214	0	61	0.0	-78.22	475.82	9.58	-68.64
CN(CCCC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013829215	0	55	0.0	-78.86	428.96	9.65	-69.21
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013829216	0	59	0.0	-80.56	438.93	10.68	-69.88
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013829217	0	59	0.0	-63.14	460.65	9.00	-54.14
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013829218	0	59	0.0	-80.58	439.47	10.48	-70.10
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013829219	0	57	0.0	-77.76	433.68	7.48	-70.28
O=C([O-])C12CC(NC(=O)NCC3=CC=C(OCC[NH+]4CCCC4)C=C3)(C1)C2	REAL300013829220	0	54	0.0	-79.52	424.81	8.21	-71.31
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CC1	REAL300013829221	0	59	0.0	-72.11	445.57	9.66	-62.45
O=C([O-])CC1CCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CC1	REAL300013829222	0	59	0.0	-68.72	443.54	10.41	-58.31
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013829223	0	59	0.0	-73.03	450.59	8.95	-64.08
O=C([O-])C1CCCC(NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013829224	0	59	0.0	-71.74	445.56	9.65	-62.09
O=C([O-])C1(CNC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCOC1	REAL300013829225	0	57	0.0	-69.73	436.75	6.76	-62.97
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=C(OCC[NH+]3CCCC3)C=C1)C2	REAL300013829226	0	54	0.0	-73.85	426.21	8.72	-65.13
O=C([O-])C1(CNC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CC1	REAL300013829227	0	53	0.0	-67.37	415.24	8.37	-59.00
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCO1	REAL300013829228	0	57	0.0	-79.49	433.70	8.97	-70.52
O=C([O-])C1CN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013829229	0	50	0.0	-68.84	395.84	8.21	-60.63
O=C([O-])C1CCN(C(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013829230	0	53	0.0	-76.11	410.73	9.01	-67.10
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1=CC=C(OCC[NH+]3CCCC3)C=C1)C2	REAL300013829231	0	54	0.0	-79.10	425.84	8.73	-70.37
CC(CCC(=O)[O-])NC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013829232	0	55	0.0	-70.92	431.08	8.25	-62.67
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC(=O)N2CC3=CC=CC=C3C2)CC1	REAL300013829316	1	56	0.0	-45.24	438.15	7.71	-37.53
CCC1=NC(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CS1	REAL300013829379	1	47	0.0	-35.23	380.42	5.74	-29.49
CC(C)C1=CC=CC=C1OCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013829450	1	55	0.0	-40.86	421.27	7.87	-32.99
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC(=O)N2CCC3=CC=CC=C32)CC1	REAL300013829602	1	56	0.0	-40.53	429.79	8.01	-32.52
CCN(CC)C(=O)CCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013829667	1	54	0.0	-40.29	413.50	6.20	-34.09
CN(C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1)S(C)(=O)=O	REAL300013829739	1	53	0.0	-48.69	422.54	4.40	-44.29
CC(CC1=CC=C(C(F)(F)F)C=C1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013829805	1	51	0.0	-42.60	411.21	9.03	-33.57
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC(C(=O)[O-])CC3)CC2)=N1	REAL300013829840	1	57	0.0	-77.36	429.11	7.27	-70.09
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCOC(C(=O)[O-])C3)CC2)=N1	REAL300013829841	1	55	0.0	-66.75	420.85	5.68	-61.07
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3CCC(C(=O)[O-])CC3)CC2)=N1	REAL300013829842	1	60	0.0	-73.25	450.12	6.98	-66.27
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCCCCC(=O)[O-])CC2)=N1	REAL300013829843	1	56	0.0	-81.55	436.97	5.58	-75.97
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCCC(=O)[O-])CC2)=N1	REAL300013829844	1	50	0.0	-78.67	393.97	4.00	-74.67
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCCCCCC(=O)[O-])CC2)=N1	REAL300013829845	1	59	0.0	-79.74	458.47	6.36	-73.38
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCC(C)(C)C(=O)[O-])CC2)=N1	REAL300013829846	1	56	0.0	-81.99	428.83	5.47	-76.52
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC(C)(C(=O)[O-])C3)CC2)=N1	REAL300013829847	1	57	0.0	-81.29	434.61	6.47	-74.82
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CC(C)CC(C(=O)[O-])C3)CC2)=N1	REAL300013829848	1	60	0.0	-63.57	450.31	7.85	-55.72
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)CC2)=N1	REAL300013829849	1	60	0.0	-80.40	441.92	7.55	-72.85
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCCCC(=O)[O-])CC2)=N1	REAL300013829850	1	53	0.0	-75.36	415.47	4.80	-70.56
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC(C)C(C(=O)[O-])C3)CC2)=N1	REAL300013829851	1	60	0.0	-65.52	445.35	7.73	-57.79
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])CC2)=N1	REAL300013829852	1	59	0.0	-76.14	448.17	5.67	-70.47
CCC(CC)(CNC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300013829853	1	62	0.0	-69.27	461.06	6.48	-62.79
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCC(C)C(=O)[O-])CC2)=N1	REAL300013829854	1	53	0.0	-80.27	412.52	4.76	-75.51
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCC(C(=O)[O-])C(C)C)CC2)=N1	REAL300013829855	1	59	0.0	-67.73	446.00	6.05	-61.68
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=N1	REAL300013829856	1	57	0.0	-73.65	434.96	5.98	-67.67
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCC3(C(=O)[O-])CCCC3)CC2)=N1	REAL300013829857	1	60	0.0	-71.65	453.92	6.85	-64.80
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC(C(=O)[O-])C(C)C3)CC2)=N1	REAL300013829858	1	60	0.0	-77.09	442.54	8.01	-69.08
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCC3(C(=O)[O-])CCC3)CC2)=N1	REAL300013829859	1	57	0.0	-69.85	435.94	6.15	-63.70
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCC(CC(=O)[O-])C3CC3)CC2)=N1	REAL300013829860	1	60	0.0	-80.08	460.98	6.78	-73.30
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC(C)(C(=O)[O-])CC3)CC2)=N1	REAL300013829861	1	60	0.0	-80.40	441.92	7.55	-72.85
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)=N1	REAL300013829862	1	54	0.0	-76.56	418.82	4.98	-71.58
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2)=N1	REAL300013829863	1	57	0.0	-83.88	428.97	7.25	-76.63
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC[C@H](C(=O)[O-])C3)CC2)=N1	REAL300013829864	1	57	0.0	-85.06	429.97	7.31	-77.75
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3CC(C(=O)[O-])C3)CC2)=N1	REAL300013829865	1	54	0.0	-76.56	420.93	5.37	-71.19
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)=N1	REAL300013829866	1	54	0.0	-78.32	419.35	5.36	-72.96
CCC(CNC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300013829867	1	56	0.0	-69.80	429.55	5.68	-64.12
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCCCCCCC(=O)[O-])CC2)=N1	REAL300013829868	1	62	0.0	-83.18	479.96	7.14	-76.04
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N(C)CCCC(=O)[O-])CC2)=N1	REAL300013829869	1	56	0.0	-81.10	433.10	7.20	-73.90
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCCC(C)(C(=O)[O-])C3)CC2)=N1	REAL300013829870	1	60	0.0	-85.23	443.48	7.96	-77.27
COCCN(CCC(=O)[O-])C(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1	REAL300013829871	1	60	0.0	-62.12	464.78	6.56	-55.56
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CC(C(=O)[O-])CCC3C)CC2)=N1	REAL300013829872	1	60	0.0	-65.60	442.57	7.81	-57.79
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCCC(O)(C(=O)[O-])C3)CC2)=N1	REAL300013829873	1	58	0.0	-81.69	438.12	4.81	-76.88
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC34CC(C(=O)[O-])(C3)C4)CC2)=N1	REAL300013829874	1	55	0.0	-83.83	430.68	5.60	-78.23
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)CC2)=N1	REAL300013829875	1	60	0.0	-73.92	450.92	7.03	-66.89
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC(CC(=O)[O-])CC3)CC2)=N1	REAL300013829876	1	60	0.0	-80.86	447.65	7.97	-72.89
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)CC2)=N1	REAL300013829877	1	60	0.0	-77.34	453.86	6.53	-70.81
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC3CCCC(C(=O)[O-])C3)CC2)=N1	REAL300013829878	1	60	0.0	-77.38	455.33	6.58	-70.80
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCC3(C(=O)[O-])CCOC3)CC2)=N1	REAL300013829879	1	58	0.0	-67.81	442.61	4.13	-63.68
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)CC2)=N1	REAL300013829880	1	55	0.0	-77.16	430.20	6.01	-71.15
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCC3(C(=O)[O-])CC3)CC2)=N1	REAL300013829881	1	54	0.0	-68.51	421.11	5.74	-62.77
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCOC(C)(C(=O)[O-])C3)CC2)=N1	REAL300013829882	1	58	0.0	-85.35	437.84	6.53	-78.82
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CC(C(=O)[O-])C3)CC2)=N1	REAL300013829883	1	51	0.0	-71.25	400.28	5.54	-65.71
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N3CCC(C(=O)[O-])C3)CC2)=N1	REAL300013829884	1	54	0.0	-80.11	416.59	6.38	-73.73
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)CC2)=N1	REAL300013829885	1	55	0.0	-82.86	431.19	6.09	-76.77
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NC(C)CCC(=O)[O-])CC2)=N1	REAL300013829886	1	56	0.0	-74.07	435.22	5.81	-68.26
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=CC3=CC=CN=C32)CC1	REAL300013829919	1	50	0.0	-44.72	394.66	7.57	-37.15
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(Br)C(F)=C2)CC1	REAL300013829992	1	42	0.0	-37.50	359.76	6.90	-30.60
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(CC(F)(F)F)C2=O)CC1	REAL300013830073	1	46	0.0	-45.70	376.83	4.79	-40.91
NC(=O)C1=CC=CC=C1N1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013830147	1	55	0.0	-44.43	420.94	4.08	-40.35
O=C([O-])C[NH+]1CCC(NC(=O)NCCN2C=NC3=CC=CC=C32)CC1	REAL300013830213	1	48	0.0	-49.54	381.99	7.86	-41.68
CN(CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)CC(F)(F)F	REAL300013830285	1	46	0.0	-38.23	364.08	3.41	-34.82
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C(F)C=C2F)CC1	REAL300013830388	1	45	0.0	-42.94	366.51	7.15	-35.79
O=C([O-])C1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	REAL300013830430	0	56	0.0	-70.69	391.57	9.60	-61.09
O=C([O-])C1=CC=C(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C=C1	REAL300013830431	0	56	0.0	-76.24	414.32	9.14	-67.10
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCO1	REAL300013830432	0	54	0.0	-77.18	383.30	7.96	-69.22
O=C([O-])C1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	REAL300013830433	0	59	0.0	-78.17	416.82	8.84	-69.33
O=C([O-])CCCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013830434	0	55	0.0	-74.92	397.93	7.82	-67.10
O=C([O-])C1=CC(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)=CC=C1	REAL300013830435	0	56	0.0	-75.87	414.19	9.14	-66.73
O=C([O-])CCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013830436	0	49	0.0	-70.58	354.93	6.25	-64.33
O=C([O-])CCCCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013830437	0	58	0.0	-73.55	419.42	8.61	-64.94
CC(C)(CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300013830438	0	55	0.0	-74.47	389.78	7.72	-66.75
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830439	0	56	0.0	-72.70	394.56	9.12	-63.58
CC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830440	0	59	0.0	-54.12	411.93	10.09	-44.03
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	REAL300013830441	0	59	0.0	-71.15	404.35	9.81	-61.34
O=C([O-])CCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013830442	0	52	0.0	-68.20	376.43	7.04	-61.16
CC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1C(=O)[O-]	REAL300013830443	0	59	0.0	-79.04	409.91	10.05	-68.99
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCOCC1	REAL300013830444	0	60	0.0	-61.65	416.52	7.21	-54.44
CC(C)(CCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300013830445	0	58	0.0	-69.34	409.13	7.92	-61.42
CCC(CC)(CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300013830446	0	61	0.0	-61.74	422.02	8.73	-53.01
CC(CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300013830447	0	52	0.0	-72.09	373.48	7.01	-65.08
CC(C)C(CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300013830448	0	58	0.0	-56.33	406.96	8.30	-48.03
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830449	0	56	0.0	-65.35	397.96	8.29	-57.06
O=C([O-])CCC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	REAL300013830450	0	62	0.0	-75.00	430.88	10.98	-64.02
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1([NH+]3CCSCC3)CCCCC1)C2	REAL300013830451	0	58	0.0	-70.67	408.45	7.67	-63.00
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCCC1	REAL300013830452	0	59	0.0	-61.13	414.94	9.08	-52.05
CC1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCC1C(=O)[O-]	REAL300013830453	0	59	0.0	-72.99	409.91	10.10	-62.89
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCC1	REAL300013830454	0	56	0.0	-58.94	397.03	8.39	-50.55
O=C([O-])CC(CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1	REAL300013830455	0	59	0.0	-70.67	422.03	9.03	-61.64
CC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	REAL300013830456	0	59	0.0	-71.15	404.35	9.81	-61.34
CC(C)C[C@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)CC(=O)[O-]	REAL300013830457	0	64	0.0	-66.50	442.94	9.46	-57.04
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013830458	0	56	0.0	-67.40	407.80	9.26	-58.14
COCC1(C(=O)[O-])CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830459	0	60	0.0	-79.69	426.71	8.22	-71.47
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830460	0	53	0.0	-69.57	381.95	7.61	-61.96
O=C([O-])CN1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	REAL300013830461	0	61	0.0	-72.62	429.88	6.66	-65.96
O=C([O-])[C@@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830462	0	56	0.0	-78.05	391.18	9.53	-68.52
O=C([O-])[C@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830463	0	56	0.0	-77.18	390.90	9.50	-67.68
O=C([O-])C1CC(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830464	0	53	0.0	-69.35	381.89	7.62	-61.73
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830465	0	53	0.0	-72.47	381.56	7.64	-64.83
O=C([O-])C1=CC(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)=CC=C1	REAL300013830466	0	56	0.0	-75.87	414.19	9.14	-66.73
CCC(CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300013830467	0	55	0.0	-56.19	390.41	7.81	-48.38
O=C([O-])CCC1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013830468	0	62	0.0	-79.91	424.55	10.91	-69.00
O=C([O-])CCCCCCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013830469	0	64	0.0	-76.06	462.42	10.17	-65.89
O=C([O-])CCCCCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013830470	0	61	0.0	-77.10	440.92	9.39	-67.71
CN(CCCC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013830471	0	55	0.0	-72.24	394.06	9.44	-62.80
CC1(C(=O)[O-])CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830472	0	59	0.0	-54.47	406.42	10.25	-44.22
COCCN(CCC(=O)[O-])C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013830473	0	59	0.0	-52.22	425.74	8.79	-43.43
O=C([O-])CCC1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830474	0	62	0.0	-78.26	431.27	10.95	-67.31
O=C([O-])C(=O)N1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	REAL300013830475	0	57	0.0	-72.10	402.90	8.28	-63.82
CC1CCC(C(=O)[O-])CN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013830476	0	59	0.0	-53.69	406.29	10.10	-43.59
O=C([O-])C1(O)CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830477	0	57	0.0	-74.45	400.56	7.07	-67.38
O=C([O-])C12CC(NC(=O)NCC3([NH+]4CCSCC4)CCCCC3)(C1)C2	REAL300013830478	0	54	0.0	-77.50	391.64	7.84	-69.66
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	REAL300013830479	0	59	0.0	-64.23	412.52	9.27	-54.96
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	REAL300013830480	0	62	0.0	-75.70	435.39	9.51	-66.19
O=C([O-])CC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	REAL300013830481	0	59	0.0	-75.00	408.57	10.20	-64.80
O=C([O-])COC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	REAL300013830482	0	60	0.0	-75.30	425.17	9.63	-65.67
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830483	0	59	0.0	-70.96	416.29	8.83	-62.13
O=C([O-])C1CCCC(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830484	0	59	0.0	-66.51	412.42	9.27	-57.24
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCCOC1	REAL300013830485	0	60	0.0	-59.02	418.82	7.38	-51.64
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCOC1	REAL300013830486	0	57	0.0	-56.92	403.63	6.36	-50.56
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1([NH+]3CCSCC3)CCCCC1)C2	REAL300013830487	0	54	0.0	-68.90	393.43	8.33	-60.57
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1	REAL300013830488	0	53	0.0	-56.47	382.07	7.99	-48.48
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC12CCC2	REAL300013830489	0	60	0.0	-61.34	419.99	10.37	-50.97
CC1(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCO1	REAL300013830490	0	57	0.0	-78.30	398.73	8.75	-69.55
O=C([O-])C1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830491	0	50	0.0	-63.36	362.80	7.82	-55.54
COC1CC(C(=O)[O-])CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830492	0	60	0.0	-55.14	423.67	8.48	-46.66
O=C([O-])C1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013830493	0	53	0.0	-73.24	377.70	8.59	-64.65
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1([NH+]3CCSCC3)CCCCC1)C2	REAL300013830494	0	54	0.0	-76.82	392.35	8.36	-68.46
CC(CCC(=O)[O-])NC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013830495	0	55	0.0	-65.07	396.18	8.06	-57.01
CC1=C(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)C)OC2=CC=CC=C21	REAL300013830527	1	57	0.0	-36.15	431.15	9.00	-27.15
CC1=CC=CC=C1C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(C)C	REAL300013830593	1	54	0.0	-34.83	399.26	8.40	-26.43
CS(=O)(=O)CCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013830657	1	44	0.0	-45.86	357.98	1.54	-44.32
C[N@H+](CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C1CC1	REAL300013830693	0	52	0.0	-70.64	391.38	9.73	-60.91
C[N@@H+](CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1)C1CC1	REAL300013830693	1	52	0.0	-70.56	391.39	9.73	-60.83
CC(NC(=O)NCC[N@H+](C)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013830694	0	51	0.0	-75.39	381.30	7.19	-68.20
CC(NC(=O)NCC[N@@H+](C)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013830694	1	51	0.0	-74.88	381.17	7.19	-67.69
C[N@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300013830695	0	48	0.0	-60.90	370.08	7.66	-53.24
C[N@@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300013830695	1	48	0.0	-62.55	374.00	7.47	-55.08
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC[N@H+](C)C3CC3)C2)C=N1	REAL300013830696	0	52	0.0	-77.48	402.29	7.92	-69.56
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC[N@@H+](C)C3CC3)C2)C=N1	REAL300013830696	1	52	0.0	-77.79	402.42	7.94	-69.85
COC(=O)C1CC2(C1)CN(C(=O)NCC[N@H+](C)C1CC1)CC2C(=O)[O-]	REAL300013830697	0	52	0.0	-60.25	398.57	7.93	-52.32
COC(=O)C1CC2(C1)CN(C(=O)NCC[N@@H+](C)C1CC1)CC2C(=O)[O-]	REAL300013830697	1	52	0.0	-60.39	398.69	7.96	-52.43
COCC1(C(=O)[O-])CCCN(C(=O)NCC[N@H+](C)C2CC2)C1	REAL300013830698	0	49	0.0	-80.24	366.63	6.52	-73.72
COCC1(C(=O)[O-])CCCN(C(=O)NCC[N@@H+](C)C2CC2)C1	REAL300013830698	1	49	0.0	-78.99	365.98	7.16	-71.83
C[N@H+](CCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C1CC1	REAL300013830699	0	51	0.0	-77.27	392.07	8.15	-69.12
C[N@@H+](CCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1)C1CC1	REAL300013830699	1	51	0.0	-77.42	392.20	8.17	-69.25
C[N@H+](CCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1CC1	REAL300013830700	0	46	0.0	-74.66	352.23	9.39	-65.27
C[N@@H+](CCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1CC1	REAL300013830700	1	46	0.0	-71.71	352.97	9.15	-62.56
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC[N@@H+](C)C2CC2)CCO1	REAL300013830701	0	53	0.0	-66.52	407.88	7.30	-59.22
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC[N@H+](C)C2CC2)CCO1	REAL300013830701	1	53	0.0	-66.26	407.75	7.28	-58.98
C[N@H+](CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1CC1	REAL300013830702	0	49	0.0	-63.86	382.29	9.24	-54.62
C[N@@H+](CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1CC1	REAL300013830702	1	49	0.0	-64.06	382.43	9.26	-54.80
C[N@H+](CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1CC1	REAL300013830703	0	46	0.0	-72.37	365.71	7.50	-64.87
C[N@@H+](CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1CC1	REAL300013830703	1	46	0.0	-72.11	365.56	7.48	-64.63
C[N@H+](CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1CC1	REAL300013830704	0	49	0.0	-78.69	371.20	6.48	-72.21
C[N@@H+](CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C1CC1	REAL300013830704	1	49	0.0	-79.67	371.20	6.48	-73.19
COCC1(C(=O)[O-])CCN(C(=O)NCC[N@H+](C)C2CC2)CC1	REAL300013830705	0	49	0.0	-75.64	364.44	6.05	-69.59
COCC1(C(=O)[O-])CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1	REAL300013830705	1	49	0.0	-75.40	364.43	6.06	-69.34
C[N@H+](CCNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1CC1	REAL300013830706	0	51	0.0	-66.33	366.53	6.92	-59.41
C[N@@H+](CCNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1CC1	REAL300013830706	1	51	0.0	-65.94	366.53	6.90	-59.04
C[N@H+](CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C1CC1	REAL300013830707	0	54	0.0	-74.10	418.09	8.63	-65.47
C[N@@H+](CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C1CC1	REAL300013830707	1	54	0.0	-74.09	418.09	8.63	-65.46
C[N@H+](CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1CC1	REAL300013830708	0	42	0.0	-64.99	339.75	6.50	-58.49
C[N@@H+](CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1CC1	REAL300013830708	1	42	0.0	-65.04	339.06	6.49	-58.55
C[N@H+](CCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C1CC1	REAL300013830709	0	51	0.0	-82.50	398.09	5.18	-77.32
C[N@@H+](CCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C1CC1	REAL300013830709	1	51	0.0	-82.41	398.11	5.19	-77.22
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC(O)=C1	REAL300013830730	1	46	0.0	-38.20	361.66	4.25	-33.95
CCCC[N@H+](C)CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013830765	0	47	0.0	-77.63	374.34	7.05	-70.58
CCCC[N@@H+](C)CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013830765	1	47	0.0	-77.66	374.34	7.03	-70.63
CCCC[N@H+](C)CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013830766	0	47	0.0	-76.69	374.34	7.01	-69.68
CCCC[N@@H+](C)CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013830766	1	47	0.0	-76.85	374.35	7.03	-69.82
CCCC[N@H+](C)CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013830767	0	57	0.0	-73.63	422.84	10.49	-63.14
CCCC[N@@H+](C)CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013830767	1	57	0.0	-73.57	422.84	10.49	-63.08
CCCC[N@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013830768	0	51	0.0	-62.17	377.66	4.91	-57.26
CCCC[N@@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013830768	1	51	0.0	-62.27	377.67	4.91	-57.36
CCCC[N@H+](C)CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013830769	0	52	0.0	-62.35	379.52	6.96	-55.39
CCCC[N@@H+](C)CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013830769	1	52	0.0	-62.49	379.52	6.95	-55.54
CCCC[N@H+](C)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013830770	0	56	0.0	-77.99	412.63	7.97	-70.02
CCCC[N@@H+](C)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013830770	1	56	0.0	-78.16	412.63	7.96	-70.20
CCCC[N@H+](C)CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013830771	0	53	0.0	-63.58	401.54	8.45	-55.13
CCCC[N@@H+](C)CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013830771	1	53	0.0	-65.43	405.46	8.25	-57.18
CCCC[N@H+](C)CCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013830772	0	53	0.0	-74.02	391.07	8.84	-65.18
CCCC[N@@H+](C)CCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013830772	1	53	0.0	-75.01	391.09	8.88	-66.13
CCCC[N@H+](C)CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013830773	0	49	0.0	-72.91	367.97	5.68	-67.23
CCCC[N@@H+](C)CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013830773	1	49	0.0	-73.35	367.79	5.69	-67.66
CCCC[N@H+](C)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013830774	0	55	0.0	-68.18	408.48	7.54	-60.64
CCCC[N@@H+](C)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013830774	1	55	0.0	-68.13	408.49	7.55	-60.58
CCCC[N@H+](C)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013830775	0	47	0.0	-68.39	367.96	7.13	-61.26
CCCC[N@@H+](C)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013830775	1	47	0.0	-68.44	367.95	7.15	-61.29
CCCC[N@H+](C)CCNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013830776	0	51	0.0	-76.11	388.30	6.11	-70.00
CCCC[N@@H+](C)CCNC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013830776	1	51	0.0	-76.02	388.30	6.11	-69.91
CCCC[N@H+](C)CCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013830777	0	52	0.0	-73.75	390.08	4.58	-69.17
CCCC[N@@H+](C)CCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013830777	1	52	0.0	-75.72	389.63	4.52	-71.20
CCCC[N@H+](C)CCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013830778	0	57	0.0	-80.83	433.74	8.70	-72.13
CCCC[N@@H+](C)CCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013830778	1	57	0.0	-71.15	429.04	8.81	-62.34
CCCC[N@H+](C)CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013830779	0	47	0.0	-76.69	374.34	7.01	-69.68
CCCC[N@@H+](C)CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013830779	1	47	0.0	-76.85	374.35	7.03	-69.82
CCCC[N@H+](C)CCNC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013830780	0	57	0.0	-70.20	434.88	8.89	-61.31
CCCC[N@@H+](C)CCNC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013830780	1	57	0.0	-62.99	430.02	8.72	-54.27
CCCC[N@H+](C)CCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013830781	0	53	0.0	-78.77	384.42	8.79	-69.98
CCCC[N@@H+](C)CCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013830781	1	53	0.0	-78.77	384.42	8.79	-69.98
CCCC[N@H+](C)CCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013830782	0	55	0.0	-77.12	422.58	8.05	-69.07
CCCC[N@@H+](C)CCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013830782	1	55	0.0	-77.11	422.58	8.05	-69.06
CCCC[N@H+](C)CCNC(=O)NCCCCCCC(=O)[O-]	REAL300013830783	0	52	0.0	-77.67	401.08	7.27	-70.40
CCCC[N@@H+](C)CCNC(=O)NCCCCCCC(=O)[O-]	REAL300013830783	1	52	0.0	-77.67	401.08	7.27	-70.40
CCCC[N@H+](C)CCNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013830784	0	54	0.0	-84.11	398.35	7.29	-76.82
CCCC[N@@H+](C)CCNC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013830784	1	54	0.0	-83.98	398.35	7.30	-76.68
CCCC[N@H+](C)CCNC(=O)N(CCOC)CCC(=O)[O-]	REAL300013830785	0	50	0.0	-58.30	385.90	6.68	-51.62
CCCC[N@@H+](C)CCNC(=O)N(CCOC)CCC(=O)[O-]	REAL300013830785	1	50	0.0	-58.27	385.90	6.68	-51.59
CCCC[N@H+](C)CCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013830786	0	56	0.0	-80.67	423.54	8.88	-71.79
CCCC[N@@H+](C)CCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013830786	1	56	0.0	-80.51	424.31	8.91	-71.60
CCCC[N@H+](C)CCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013830787	0	53	0.0	-78.30	391.40	8.84	-69.46
CCCC[N@@H+](C)CCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013830787	1	53	0.0	-78.41	391.46	8.85	-69.56
CCCC[N@H+](C)CCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013830788	0	51	0.0	-77.62	383.74	10.17	-67.45
CCCC[N@@H+](C)CCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013830788	1	51	0.0	-77.49	383.68	10.16	-67.33
CCCC[N@H+](C)CCNC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013830789	0	58	0.0	-76.82	439.19	8.05	-68.77
CCCC[N@@H+](C)CCNC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013830789	1	58	0.0	-76.69	440.64	7.16	-69.53
CCCC[N@H+](C)CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013830790	0	48	0.0	-69.49	363.58	6.18	-63.31
CCCC[N@@H+](C)CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013830790	1	48	0.0	-69.43	363.58	6.17	-63.26
CCCC[N@H+](C)CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013830791	0	54	0.0	-66.66	413.74	10.02	-56.64
CCCC[N@@H+](C)CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013830791	1	54	0.0	-66.74	413.73	10.01	-56.73
CCCC[N@H+](C)CCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013830792	0	48	0.0	-76.01	360.73	4.95	-71.06
CCCC[N@@H+](C)CCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013830792	1	48	0.0	-75.64	360.70	4.98	-70.66
CCCC[N@H+](C)CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013830793	0	51	0.0	-73.37	394.72	8.17	-65.20
CCCC[N@@H+](C)CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013830793	1	51	0.0	-75.01	397.02	8.27	-66.74
CCCC[N@H+](C)CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013830794	0	54	0.0	-82.20	402.66	7.25	-74.95
CCCC[N@@H+](C)CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013830794	1	54	0.0	-82.39	402.66	7.26	-75.13
CCCC[N@H+](C)CCNC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013830795	0	54	0.0	-77.16	394.69	7.60	-69.56
CCCC[N@@H+](C)CCNC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013830795	1	54	0.0	-78.67	395.89	6.83	-71.84
CCCC[N@H+](C)CCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013830796	0	56	0.0	-69.07	397.99	7.68	-61.39
CCCC[N@@H+](C)CCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013830796	1	56	0.0	-68.99	397.99	7.68	-61.31
CCCC[N@H+](C)CCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013830797	0	53	0.0	-77.19	396.74	7.45	-69.74
CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013830797	1	53	0.0	-76.44	395.40	7.42	-69.02
CCCC[N@H+](C)CCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013830798	0	51	0.0	-76.35	385.33	7.47	-68.88
CCCC[N@@H+](C)CCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013830798	1	51	0.0	-77.47	385.32	7.46	-70.01
CCCC[N@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013830799	0	51	0.0	-62.01	378.91	5.30	-56.71
CCCC[N@@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013830799	1	51	0.0	-67.13	381.79	5.56	-61.57
CCCC[N@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013830800	0	48	0.0	-63.47	363.73	4.27	-59.20
CCCC[N@@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013830800	1	48	0.0	-63.43	363.72	4.26	-59.17
CCCC[N@H+](C)CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013830801	0	59	0.0	-77.12	449.61	9.41	-67.71
CCCC[N@@H+](C)CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013830801	1	59	0.0	-77.10	449.56	9.41	-67.69
CCCC[N@H+](C)CCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013830802	0	51	0.0	-65.63	378.84	8.18	-57.45
CCCC[N@@H+](C)CCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013830802	1	51	0.0	-66.51	380.05	8.24	-58.27
CCCC[N@H+](C)CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013830803	0	47	0.0	-68.12	371.06	7.26	-60.86
CCCC[N@@H+](C)CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013830803	1	47	0.0	-68.33	370.52	7.27	-61.06
CCCC[N@H+](C)CCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013830804	0	48	0.0	-79.63	358.95	6.66	-72.97
CCCC[N@@H+](C)CCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013830804	1	48	0.0	-79.57	358.95	6.66	-72.91
CCCC[N@H+](C)CCNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013830805	0	51	0.0	-61.74	382.13	6.49	-55.25
CCCC[N@@H+](C)CCNC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013830805	1	51	0.0	-61.11	383.87	6.43	-54.68
CCCC[N@H+](C)CCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013830806	0	56	0.0	-80.49	429.57	5.97	-74.52
CCCC[N@@H+](C)CCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013830806	1	56	0.0	-86.13	429.60	5.96	-80.17
O=C([O-])C1CCN(C(=O)NCC[NH+]2CCSCC2)CC1	REAL300013830807	1	43	0.0	-74.92	330.07	6.84	-68.08
O=C([O-])C1=CC=C(CNC(=O)NCC[NH+]2CCSCC2)C=C1	REAL300013830808	1	43	0.0	-81.10	354.35	6.47	-74.63
O=C([O-])C1CN(C(=O)NCC[NH+]2CCSCC2)CCO1	REAL300013830809	1	41	0.0	-81.91	323.23	5.31	-76.60
O=C([O-])C1CCC(NC(=O)NCC[NH+]2CCSCC2)CC1	REAL300013830810	1	46	0.0	-71.18	351.23	6.55	-64.63
O=C([O-])C1=CC(CNC(=O)NCC[NH+]2CCSCC2)=CC=C1	REAL300013830811	1	43	0.0	-80.10	354.36	6.46	-73.64
O=C([O-])CCCCCNC(=O)NCC[NH+]1CCSCC1	REAL300013830812	1	45	0.0	-78.23	359.59	5.93	-72.30
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NCC[NH+]2CCSCC2)CC1	REAL300013830813	1	53	0.0	-83.05	406.24	10.30	-72.75
CC1(C(=O)[O-])CCN(C(=O)NCC[NH+]2CCSCC2)C1	REAL300013830814	1	43	0.0	-78.50	337.24	6.42	-72.08
CC1CC(C(=O)[O-])CN(C(=O)NCC[NH+]2CCSCC2)C1	REAL300013830815	1	46	0.0	-81.58	351.70	7.44	-74.14
CC1(C(=O)[O-])CCN(C(=O)NCC[NH+]2CCSCC2)CC1	REAL300013830816	1	46	0.0	-78.64	344.31	7.16	-71.48
CC1CCN(C(=O)NCC[NH+]2CCSCC2)CC1C(=O)[O-]	REAL300013830817	1	46	0.0	-80.90	346.29	7.29	-73.61
O=C([O-])C1(CNC(=O)NCC[NH+]2CCSCC2)CCOCC1	REAL300013830818	1	47	0.0	-66.50	356.48	4.54	-61.96
CC(C)(CCNC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300013830819	1	45	0.0	-74.98	349.30	5.24	-69.74
CCC(CC)(CNC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300013830820	1	48	0.0	-67.19	362.18	6.05	-61.14
CC(C)C(CNC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300013830821	1	45	0.0	-68.05	352.38	5.52	-62.53
CC(NC(=O)NCC[NH+]1CCSCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013830822	1	52	0.0	-80.98	389.22	6.94	-74.04
CC(CNC(=O)NCC[NH+]1CCSCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013830823	1	49	0.0	-67.77	385.47	7.69	-60.08
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[NH+]2CCSCC2)C1	REAL300013830824	1	43	0.0	-71.18	338.00	5.62	-65.56
O=C([O-])CCC1CCN(C(=O)NCC[NH+]2CCSCC2)CC1	REAL300013830825	1	49	0.0	-80.04	370.91	8.30	-71.74
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC[NH+]1CCSCC1)C2	REAL300013830826	1	45	0.0	-78.54	346.09	4.74	-73.80
O=C([O-])C1(CNC(=O)NCC[NH+]2CCSCC2)CCCC1	REAL300013830827	1	46	0.0	-66.13	354.85	6.42	-59.71
CC1CN(C(=O)NCC[NH+]2CCSCC2)CCC1C(=O)[O-]	REAL300013830828	1	46	0.0	-75.40	343.46	7.57	-67.83
O=C([O-])C1(CNC(=O)NCC[NH+]2CCSCC2)CCC1	REAL300013830829	1	43	0.0	-64.45	337.07	5.72	-58.73
O=C([O-])CC(CNC(=O)NCC[NH+]1CCSCC1)C1CC1	REAL300013830830	1	46	0.0	-76.58	362.39	6.44	-70.14
CC1(C(=O)[O-])CCN(C(=O)NCC[NH+]2CCSCC2)CC1	REAL300013830831	1	46	0.0	-78.64	344.31	7.16	-71.48
CC(C)C[C@H](CNC(=O)NCC[NH+]1CCSCC1)CC(=O)[O-]	REAL300013830832	1	51	0.0	-73.02	383.04	6.73	-66.29
O=C([O-])C1=CC=CC=C1CNC(=O)NCC[NH+]1CCSCC1	REAL300013830833	1	43	0.0	-71.00	347.96	6.58	-64.42
COCC1(C(=O)[O-])CCN(C(=O)NCC[NH+]2CCSCC2)C1	REAL300013830834	1	47	0.0	-78.64	368.30	5.55	-73.09
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCC[NH+]3CCSCC3)C2)C=N1	REAL300013830836	1	53	0.0	-84.40	413.52	8.15	-76.25
O=C([O-])[C@@H]1CCCN(C(=O)NCC[NH+]2CCSCC2)C1	REAL300013830837	1	43	0.0	-61.94	330.32	6.83	-55.11
O=C([O-])[C@H]1CCCN(C(=O)NCC[NH+]2CCSCC2)C1	REAL300013830838	1	43	0.0	-81.34	330.86	6.87	-74.47
O=C([O-])C1=CC(CNC(=O)NCC[NH+]2CCSCC2)=CC=C1	REAL300013830839	1	43	0.0	-80.10	354.36	6.46	-73.64
O=C([O-])CCC1CCCCN1C(=O)NCC[NH+]1CCSCC1	REAL300013830840	1	49	0.0	-81.45	364.78	8.25	-73.20
O=C([O-])CCCCCCCNC(=O)NCC[NH+]1CCSCC1	REAL300013830841	1	51	0.0	-80.43	402.59	7.49	-72.94
O=C([O-])CCCCCCNC(=O)NCC[NH+]1CCSCC1	REAL300013830842	1	48	0.0	-81.12	381.09	6.71	-74.41
CC1(C(=O)[O-])CCCN(C(=O)NCC[NH+]2CCSCC2)C1	REAL300013830843	1	46	0.0	-82.72	345.72	7.62	-75.10
COCC1(C(=O)[O-])CCCN(C(=O)NCC[NH+]2CCSCC2)C1	REAL300013830844	1	50	0.0	-85.77	377.25	7.39	-78.38
COCCN(CCC(=O)[O-])C(=O)NCC[NH+]1CCSCC1	REAL300013830845	1	46	0.0	-60.46	365.91	6.12	-54.34
O=C([O-])[C@]12CN(C(=O)NCC[NH+]3CCSCC3)C[C@H]1C1=CC=CC=C1OC2	REAL300013830846	1	52	0.0	-83.79	404.12	8.35	-75.44
O=C([O-])CCC1CCCN(C(=O)NCC[NH+]2CCSCC2)C1	REAL300013830847	1	49	0.0	-81.77	371.21	8.29	-73.48
O=C([O-])C1CN(C(=O)NCC[NH+]2CCSCC2)CC2=CC=CC=C21	REAL300013830848	1	47	0.0	-80.43	363.53	9.62	-70.81
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCC[NH+]2CCSCC2)CCO1	REAL300013830849	1	54	0.0	-72.81	420.47	6.60	-66.21
O=C([O-])C(=O)N1CCN(C(=O)NCC[NH+]2CCSCC2)CC1	REAL300013830850	1	44	0.0	-72.75	343.39	5.62	-67.13
CC1CCC(C(=O)[O-])CN1C(=O)NCC[NH+]1CCSCC1	REAL300013830851	1	46	0.0	-62.30	346.11	7.45	-54.85
O=C([O-])[C@@H]1CN(C(=O)NCC[NH+]2CCSCC2)C[C@H]1C1=CC=CC=C1	REAL300013830852	1	50	0.0	-69.56	393.54	9.46	-60.10
O=C([O-])C1(O)CCCN(C(=O)NCC[NH+]2CCSCC2)C1	REAL300013830853	1	44	0.0	-78.77	340.47	4.42	-74.35
O=C([O-])C1CC(NC(=O)NCC[NH+]2CCSCC2)C2=CC=CC=C21	REAL300013830854	1	47	0.0	-76.62	374.53	7.62	-69.00
O=C([O-])CN1CCCCC(NC(=O)NCC[NH+]2CCSCC2)C1=O	REAL300013830855	1	50	0.0	-84.46	382.47	6.70	-77.76
COCC1(C(=O)[O-])CCN(C(=O)NCC[NH+]2CCSCC2)CC1	REAL300013830856	1	50	0.0	-78.54	374.46	7.02	-71.52
O=C([O-])CC1(CNC(=O)NCC[NH+]2CCSCC2)CCCCC1	REAL300013830857	1	52	0.0	-71.75	377.80	7.13	-64.62
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC[NH+]2CCSCC2)CC1	REAL300013830858	1	46	0.0	-70.84	351.03	6.55	-64.29
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC[NH+]2CCSCC2)CC1	REAL300013830859	1	49	0.0	-79.77	375.21	6.86	-72.91
O=C([O-])CC1CCN(C(=O)NCC[NH+]2CCSCC2)CC1	REAL300013830860	1	46	0.0	-79.47	348.59	7.52	-71.95
O=C([O-])COC1CCN(C(=O)NCC[NH+]2CCSCC2)CC1	REAL300013830861	1	47	0.0	-79.59	365.13	6.94	-72.65
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC[NH+]2CCSCC2)C1	REAL300013830862	1	46	0.0	-75.48	356.47	6.15	-69.33
O=C([O-])C1CCCC(NC(=O)NCC[NH+]2CCSCC2)C1	REAL300013830863	1	46	0.0	-75.45	356.26	6.15	-69.30
O=C([O-])C1(CNC(=O)NCC[NH+]2CCSCC2)CCCOC1	REAL300013830864	1	47	0.0	-64.48	358.93	4.72	-59.76
O=C([O-])C1(CNC(=O)NCC[NH+]2CCSCC2)CCOC1	REAL300013830865	1	44	0.0	-66.02	343.53	3.70	-62.32
CC(C)(CC1=CC=C(CNC(=O)NCC[NH+]2CCSCC2)C=C1)C(=O)[O-]	REAL300013830866	1	55	0.0	-80.50	429.57	8.85	-71.65
O=C([O-])C1CN(C(=O)NCC[NH+]2CCSCC2)CC12CCC2	REAL300013830867	1	47	0.0	-68.46	358.66	7.63	-60.83
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCC[NH+]2CCSCC2)C1	REAL300013830868	1	43	0.0	-74.19	350.30	6.74	-67.45
CC1(C(=O)[O-])CN(C(=O)NCC[NH+]2CCSCC2)CCO1	REAL300013830869	1	44	0.0	-83.25	338.71	6.12	-77.13
COC1CC(C(=O)[O-])CN(C(=O)NCC[NH+]2CCSCC2)C1	REAL300013830870	1	47	0.0	-64.04	361.94	5.94	-58.10
O=C([O-])CN1C(=O)NC2(CCN(C(=O)NCC[NH+]3CCSCC3)CC2)C1=O	REAL300013830871	1	52	0.0	-90.07	409.41	5.41	-84.66
COC1=CC=C(Cl)C=C1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013830905	1	49	0.0	-42.57	399.68	6.92	-35.65
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=CC(F)=C2F)CC1	REAL300013830977	1	45	0.0	-44.65	366.40	7.14	-37.51
CC1=CC=CC=C1C(CC(C)C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013831051	1	57	0.0	-36.42	424.34	11.03	-25.39
CC1=CC=CC=C1C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CC1	REAL300013831125	1	52	0.0	-35.26	387.15	8.83	-26.43
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(C3=CC=CC=C3F)C2=O)CC1	REAL300013831202	1	50	0.0	-46.86	402.69	7.07	-39.79
CC(C)N1C=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013831270	1	51	0.0	-38.18	394.99	6.23	-31.95
CCC1=CC(N2CCCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2)=NC=N1	REAL300013831354	1	58	0.0	-38.19	438.59	7.45	-30.74
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC(Cl)=CC=C1F	REAL300013831421	1	45	0.0	-36.59	371.80	7.70	-28.89
C[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1OC(F)F	REAL300013831495	1	49	0.0	-41.13	394.12	6.84	-34.29
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1OC(F)F	REAL300013831561	1	49	0.0	-40.84	394.07	6.86	-33.98
O=C([O-])C[NH+]1CCC(NC(=O)NC(CC(F)(F)F)C2=CC=C(F)C=C2)CC1	REAL300013831627	1	48	0.0	-43.03	382.90	7.66	-35.37
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=NC=C1	REAL300013831690	1	50	0.0	-38.93	378.26	6.38	-32.55
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CS(=O)(=O)CCO2)CC1	REAL300013831778	1	46	0.0	-44.93	367.41	0.51	-44.42
COC(=O)C1=CC=CC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013831853	1	51	0.0	-45.69	409.46	7.70	-37.99
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2=CC=CS2)CC1	REAL300013832009	1	45	0.0	-40.39	365.98	6.88	-33.51
O=C([O-])C[NH+]1CCC(NC(=O)NCCSCC(F)(F)F)CC1	REAL300013832076	1	42	0.0	-39.89	357.96	5.76	-34.13
COC1=CC(F)=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013832149	1	46	0.0	-36.95	369.06	5.64	-31.31
CC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300013832228	1	52	0.0	-37.56	393.68	8.92	-28.64
CC1(C)CCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC=CC=C21	REAL300013832346	1	58	0.0	-36.69	422.31	9.41	-27.28
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCN(C3=NC=CC=N3)C2)CC1	REAL300013832420	1	55	0.0	-39.75	417.68	7.21	-32.54
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)CC1	REAL300013832488	1	52	0.0	-37.66	411.51	9.91	-27.75
CC1=CC(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C(C)S1	REAL300013832547	1	48	0.0	-35.94	380.91	7.58	-28.36
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(CC3=CC=C(F)C=C3)CC2)CC1	REAL300013832642	1	52	0.0	-38.29	409.64	9.05	-29.24
CC1CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCO1	REAL300013832724	1	49	0.0	-41.38	367.53	5.02	-36.36
COC(C1=CC=C(F)C=C1)C(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013832786	1	52	0.0	-41.78	405.43	6.86	-34.92
CCC1(CC)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)C1OC	REAL300013832860	1	58	0.0	-34.20	417.93	7.96	-26.24
O=C([O-])C[NH+]1CCC(NC(=O)NC2CC(=O)N(C3=C(F)C=CC=C3F)C2)CC1	REAL300013832933	1	50	0.0	-45.09	408.59	7.23	-37.86
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCOC3(CCOC3)C2)CC1	REAL300013832998	1	51	0.0	-38.23	377.38	3.49	-34.74
O=C([O-])C[NH+]1CCC(NC(=O)NC2CC(=O)N(C3CCCCC3)C2)CC1	REAL300013833072	1	56	0.0	-43.02	414.81	6.81	-36.21
COC1=CC=C(COCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013833147	1	53	0.0	-39.32	417.71	5.63	-33.69
COC1=CC=C(C(OC)C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013833222	1	56	0.0	-41.12	429.62	6.71	-34.41
CCC1(O)CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013833286	1	52	0.0	-36.18	374.94	4.60	-31.58
CSC1=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=N1	REAL300013833349	1	45	0.0	-37.30	371.14	5.63	-31.67
CCC1=NN(C)C(OC)=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013833419	1	52	0.0	-41.59	410.23	4.06	-37.53
CC(C)C1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCO1	REAL300013833485	1	52	0.0	-36.06	385.41	5.68	-30.38
O=C([O-])C1CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013833521	0	51	0.0	-73.57	380.51	6.94	-66.63
O=C([O-])C1=CC=C(CNC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C=C1	REAL300013833522	0	51	0.0	-75.83	404.60	6.59	-69.24
O=C([O-])C1CN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCO1	REAL300013833523	0	49	0.0	-79.32	373.66	5.40	-73.92
O=C([O-])C1CCC(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013833524	0	54	0.0	-69.16	401.49	6.67	-62.49
O=C([O-])CCCCNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013833525	0	50	0.0	-76.60	388.34	5.27	-71.33
O=C([O-])C1=CC(CNC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)=CC=C1	REAL300013833526	0	51	0.0	-76.58	404.61	6.58	-70.00
O=C([O-])CCNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013833527	0	44	0.0	-74.39	345.35	3.69	-70.70
O=C([O-])CCCCCNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013833528	0	53	0.0	-74.76	409.84	6.05	-68.71
CC(C)(CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013833529	0	50	0.0	-77.40	380.78	5.15	-72.25
CC1(C(=O)[O-])CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833530	0	51	0.0	-75.86	387.70	6.54	-69.32
CC1CC(C(=O)[O-])CN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833531	0	54	0.0	-61.98	401.69	7.52	-54.46
CC1(C(=O)[O-])CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013833532	0	54	0.0	-75.36	394.76	7.27	-68.09
O=C([O-])CCCNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013833533	0	47	0.0	-71.17	366.84	4.49	-66.68
CC1CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1C(=O)[O-]	REAL300013833534	0	54	0.0	-79.37	396.75	7.40	-71.97
O=C([O-])C1(CNC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCOCC1	REAL300013833535	0	55	0.0	-68.01	406.92	4.65	-63.36
CC(C)(CCNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013833536	0	53	0.0	-71.90	399.55	5.36	-66.54
CCC(CC)(CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013833537	0	56	0.0	-68.73	412.43	6.17	-62.56
CC(CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013833538	0	47	0.0	-75.68	363.89	4.45	-71.23
CC(C)C(CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013833539	0	53	0.0	-68.98	402.63	5.63	-63.35
CC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013833540	0	60	0.0	-79.52	442.90	7.52	-72.00
CC(CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013833541	0	57	0.0	-69.50	435.72	7.81	-61.69
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833542	0	51	0.0	-68.73	388.26	5.74	-62.99
O=C([O-])CCC1CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013833543	0	57	0.0	-74.70	421.35	8.42	-66.28
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1CCN(C3=CC=[NH+]C=C3)CC1)C2	REAL300013833544	0	53	0.0	-74.27	398.05	5.24	-69.03
O=C([O-])C1(CNC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCCC1	REAL300013833545	0	54	0.0	-68.11	405.28	6.53	-61.58
CC1CN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCC1C(=O)[O-]	REAL300013833546	0	54	0.0	-72.13	393.89	7.68	-64.45
O=C([O-])C1(CNC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCC1	REAL300013833547	0	51	0.0	-66.35	387.33	5.84	-60.51
O=C([O-])CC(CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1CC1	REAL300013833548	0	54	0.0	-76.99	412.35	6.47	-70.52
CC1(C(=O)[O-])CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013833549	0	54	0.0	-75.36	394.76	7.27	-68.09
CC(C)C[C@H](CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)CC(=O)[O-]	REAL300013833550	0	59	0.0	-75.10	433.34	6.91	-68.19
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013833551	0	51	0.0	-75.27	398.21	6.70	-68.57
COCC1(C(=O)[O-])CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833552	0	55	0.0	-79.12	418.56	5.66	-73.46
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833553	0	48	0.0	-71.54	372.26	5.04	-66.50
O=C([O-])CN1CCC(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013833554	0	56	0.0	-73.43	420.35	4.13	-69.30
O=C([O-])[C@@H]1CCCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833555	0	51	0.0	-79.48	380.82	6.94	-72.54
O=C([O-])[C@H]1CCCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833556	0	51	0.0	-63.32	382.02	7.00	-56.32
O=C([O-])C1CC(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833557	0	48	0.0	-71.75	372.31	5.05	-66.70
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833558	0	48	0.0	-73.36	371.81	5.08	-68.28
O=C([O-])C1=CC(CNC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)=CC=C1	REAL300013833559	0	51	0.0	-76.58	404.61	6.58	-70.00
CCC(CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013833560	0	50	0.0	-66.87	380.92	5.37	-61.50
O=C([O-])CCC1CCCCN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013833561	0	57	0.0	-85.28	414.70	8.34	-76.94
O=C([O-])CCCCCCCNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013833562	0	59	0.0	-76.63	452.84	7.61	-69.02
O=C([O-])CCCCCCNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013833563	0	56	0.0	-77.81	431.34	6.83	-70.98
CN(CCCC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013833564	0	50	0.0	-78.22	384.47	6.87	-71.35
CC1(C(=O)[O-])CCCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833565	0	54	0.0	-80.36	396.15	7.71	-72.65
COCC1(C(=O)[O-])CCCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833566	0	58	0.0	-83.24	427.69	7.48	-75.76
COCCN(CCC(=O)[O-])C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013833567	0	54	0.0	-61.57	416.16	6.23	-55.34
O=C([O-])CCC1CCCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833568	0	57	0.0	-79.73	421.70	8.41	-71.32
O=C([O-])C1CN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC2=CC=CC=C21	REAL300013833569	0	55	0.0	-84.12	414.69	9.46	-74.66
O=C([O-])C(=O)N1CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013833570	0	52	0.0	-68.03	393.84	5.72	-62.31
CC1CCC(C(=O)[O-])CN1C(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013833571	0	54	0.0	-62.02	396.74	7.52	-54.50
O=C([O-])C1(O)CCCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833572	0	52	0.0	-77.16	390.94	4.52	-72.64
O=C([O-])C1CC(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C2=CC=CC=C21	REAL300013833573	0	55	0.0	-74.51	427.28	7.82	-66.69
COCC1(C(=O)[O-])CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013833574	0	58	0.0	-76.11	426.13	6.37	-69.74
O=C([O-])C12CC(NC(=O)NCC3CCN(C4=CC=[NH+]C=C4)CC3)(C1)C2	REAL300013833575	0	49	0.0	-78.63	382.05	5.27	-73.36
O=C([O-])CC1(CNC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCCCC1	REAL300013833576	0	60	0.0	-74.50	428.25	7.24	-67.26
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013833577	0	54	0.0	-69.63	402.79	6.71	-62.92
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013833578	0	57	0.0	-75.40	425.66	6.96	-68.44
O=C([O-])CC1CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013833579	0	54	0.0	-68.29	399.04	7.64	-60.65
O=C([O-])COC1CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013833580	0	55	0.0	-77.07	415.58	7.03	-70.04
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833581	0	54	0.0	-72.42	406.69	6.26	-66.16
O=C([O-])C1CCCC(NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833582	0	54	0.0	-72.44	406.71	6.27	-66.17
O=C([O-])C1(CNC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCCOC1	REAL300013833583	0	55	0.0	-66.85	409.18	4.84	-62.01
O=C([O-])C1(CNC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCOC1	REAL300013833584	0	52	0.0	-67.09	393.99	3.82	-63.27
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1CCN(C3=CC=[NH+]C=C3)CC1)C2	REAL300013833585	0	49	0.0	-72.21	383.44	5.77	-66.44
O=C([O-])C1(CNC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC1	REAL300013833586	0	48	0.0	-65.11	372.48	5.42	-59.69
O=C([O-])C1CN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CC12CCC2	REAL300013833587	0	55	0.0	-67.00	410.31	7.79	-59.21
CC1(C(=O)[O-])CN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCO1	REAL300013833588	0	52	0.0	-79.91	389.19	6.19	-73.72
O=C([O-])C1CN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833589	0	45	0.0	-67.68	353.08	5.26	-62.42
COC1CC(C(=O)[O-])CN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833590	0	55	0.0	-64.61	412.39	6.04	-58.57
O=C([O-])C1CCN(C(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013833591	0	48	0.0	-75.23	367.97	6.06	-69.17
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1CCN(C3=CC=[NH+]C=C3)CC1)C2	REAL300013833592	0	49	0.0	-77.78	382.98	5.77	-72.01
CC(CCC(=O)[O-])NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013833593	0	50	0.0	-69.67	386.60	5.50	-64.17
CC(C)(CCCO)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013833614	1	51	0.0	-36.96	377.37	3.39	-33.57
O=C([O-])C[NH+]1CCC(NC(=O)NCCNC(=O)C2=CC=CS2)CC1	REAL300013833680	1	46	0.0	-40.70	381.48	3.70	-37.00
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC(=O)NC2CC2)CC1	REAL300013833755	1	49	0.0	-40.42	385.55	4.04	-36.38
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCS(=O)(=O)C2)CC1	REAL300013833819	1	45	0.0	-48.40	354.46	2.00	-46.40
CS(=O)(=O)CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013833891	1	51	0.0	-43.60	401.51	5.77	-37.83
CCCCN1C=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=N1	REAL300013833960	1	54	0.0	-38.49	421.42	7.00	-31.49
CC1=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)SC=C1	REAL300013834022	1	45	0.0	-41.80	363.42	6.70	-35.10
O=C([O-])C[NH+]1CCC(NC(=O)NCC2COC3(CCCC3)O2)CC1	REAL300013834088	1	51	0.0	-40.49	387.11	4.92	-35.57
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCC3=CC=CC=C3C2)CC1	REAL300013834161	1	52	0.0	-36.93	393.64	8.77	-28.16
CCC1=CN=CC=C1C(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013834233	1	50	0.0	-37.63	379.31	6.50	-31.13
CC(CC1CCOCC1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013834297	1	52	0.0	-36.45	381.35	6.49	-29.96
CC1=NC(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=NO1	REAL300013834344	1	43	0.0	-37.94	344.90	2.45	-35.49
C=C(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013834390	1	46	0.0	-40.48	366.53	7.49	-32.99
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCS(=O)(=O)C2)CC1	REAL300013834457	1	48	0.0	-50.63	373.93	2.78	-47.85
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2(F)CCC2)CC1	REAL300013834509	1	45	0.0	-38.66	348.50	6.10	-32.56
COCC(C)(C)CCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013834560	1	54	0.0	-36.75	402.67	5.67	-31.08
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC(F)=C(C(F)(F)F)C=C2F)CC1	REAL300013834629	1	45	0.0	-37.33	383.13	7.35	-29.98
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=NC=CN1C1=CC=CC=C1	REAL300013834697	1	52	0.0	-37.38	407.37	8.46	-28.92
CC(C)OC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013834739	0	58	0.0	-72.65	429.99	9.69	-62.96
CC(C)OC1=CC=C(C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)[NH+](C)C)C=C1	REAL300013834740	0	58	0.0	-79.63	454.21	9.32	-70.31
CC(C)OC1=CC=C(C(CNC(=O)N2CCOC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834741	0	56	0.0	-79.11	423.35	8.16	-70.95
CC(C)OC1=CC=C(C(CNC(=O)NC2CCC(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013834742	0	61	0.0	-70.56	451.06	9.42	-61.14
CC(C)OC1=CC=C(C(CNC(=O)NCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013834743	0	57	0.0	-78.58	434.68	8.91	-69.67
CC(C)OC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300013834744	0	58	0.0	-77.09	454.22	9.30	-67.79
CC(C)OC1=CC=C(C(CNC(=O)NCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013834745	0	51	0.0	-73.71	391.54	7.30	-66.41
CC(C)OC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013834746	0	60	0.0	-77.09	456.18	9.69	-67.40
CC(C)OC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013834747	0	57	0.0	-77.98	426.98	8.75	-69.23
CC(C)OC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834748	0	58	0.0	-77.48	434.58	9.34	-68.14
CC(C)OC1=CC=C(C(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834749	0	61	0.0	-81.19	449.43	11.23	-69.96
CC(C)OC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013834750	0	61	0.0	-78.91	444.02	10.01	-68.90
CC(C)OC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013834751	0	54	0.0	-71.16	413.04	8.09	-63.07
CC(C)OC1=CC=C(C(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834752	0	61	0.0	-78.03	446.24	10.16	-67.87
CC(C)OC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013834753	0	60	0.0	-72.59	446.47	9.01	-63.58
CCC(CC)(CNC(=O)NCC(C1=CC=C(OC(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013834754	0	63	0.0	-57.39	455.51	10.11	-47.28
CC(C)OC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013834755	0	54	0.0	-75.30	410.09	8.05	-67.25
CC(C)OC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300013834756	0	60	0.0	-61.06	448.97	9.27	-51.79
CC(C)OC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834757	0	58	0.0	-73.50	437.64	8.40	-65.10
CC(C)OC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300013834758	0	61	0.0	-64.03	454.91	9.25	-54.78
CC(C)OC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)[NH+](C)C)C=C1	REAL300013834759	0	61	0.0	-71.96	443.61	10.42	-61.54
CC(C)OC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCC2)[NH+](C)C)C=C1	REAL300013834760	0	58	0.0	-64.89	437.80	8.47	-56.42
CC(C)OC1=CC=C(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300013834761	0	61	0.0	-77.56	459.08	10.17	-67.39
CC(C)OC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013834762	0	61	0.0	-78.91	444.02	10.01	-68.90
CC(C)OC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+](C)C)C=C1	REAL300013834763	0	58	0.0	-67.60	447.83	9.41	-58.19
CC(C)OC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834764	0	55	0.0	-73.54	421.54	7.77	-65.77
CC(C)OC1=CC=C(C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834765	0	58	0.0	-62.35	430.24	9.68	-52.67
CC(C)OC1=CC=C(C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834766	0	58	0.0	-78.17	430.36	9.69	-68.48
CC(C)OC1=CC=C(C(CNC(=O)NC2CC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834767	0	55	0.0	-73.58	421.53	7.76	-65.82
CC(C)OC1=CC=C(C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834768	0	55	0.0	-75.55	421.97	7.84	-67.71
CC(C)OC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300013834769	0	58	0.0	-77.09	454.22	9.30	-67.79
CCC(CNC(=O)NCC(C1=CC=C(OC(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013834770	0	57	0.0	-58.43	426.71	8.98	-49.45
CC(C)OC1=CC=C(C(CNC(=O)NCCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013834771	0	63	0.0	-80.58	477.53	10.44	-70.14
CC(C)OC1=CC=C(C(CNC(=O)N(C)CCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013834772	0	57	0.0	-78.57	430.68	10.49	-68.08
CC(C)OC1=CC=C(C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834773	0	61	0.0	-79.47	445.82	10.47	-69.00
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=C(OC(C)C)C=C1)[NH+](C)C	REAL300013834774	0	61	0.0	-51.61	458.24	9.70	-41.91
CC(C)OC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])CCC2C)[NH+](C)C)C=C1	REAL300013834775	0	61	0.0	-65.92	447.18	10.30	-55.62
CC(C)OC1=CC=C(C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834776	0	59	0.0	-76.93	440.57	7.27	-69.66
CC(C)OC1=CC=C(C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)[NH+](C)C)C=C1	REAL300013834777	0	56	0.0	-79.78	432.03	8.02	-71.76
CC(C)OC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013834778	0	61	0.0	-69.04	449.12	10.38	-58.66
CC(C)OC1=CC=C(C(CNC(=O)N2CCC(CC(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013834779	0	61	0.0	-71.25	449.30	10.39	-60.86
CC(C)OC1=CC=C(C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834780	0	61	0.0	-73.29	456.10	9.00	-64.29
CC(C)OC1=CC=C(C(CNC(=O)NC2CCCC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834781	0	61	0.0	-72.51	452.41	9.42	-63.09
CC(C)OC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOC2)[NH+](C)C)C=C1	REAL300013834782	0	59	0.0	-68.74	443.56	6.57	-62.17
CC(C)OC1=CC=C(C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+](C)C)C=C1	REAL300013834783	0	56	0.0	-73.01	433.03	8.53	-64.48
CC(C)OC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013834784	0	55	0.0	-63.48	421.69	8.07	-55.41
CC(C)OC1=CC=C(C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834785	0	59	0.0	-60.60	436.44	9.88	-50.72
CC(C)OC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834786	0	52	0.0	-69.55	402.96	8.10	-61.45
CC(C)OC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013834787	0	55	0.0	-76.38	417.71	8.79	-67.59
CC(C)OC1=CC=C(C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+](C)C)C=C1	REAL300013834788	0	56	0.0	-80.58	429.25	9.40	-71.18
CC(C)OC1=CC=C(C(CNC(=O)NC(C)CCC(=O)[O-])[NH+](C)C)C=C1	REAL300013834789	0	57	0.0	-71.90	436.79	8.24	-63.66
C=CCCCCCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013834818	1	57	0.0	-35.57	436.14	9.24	-26.33
CC(C)(CCC#N)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013834868	1	48	0.0	-41.93	365.30	6.46	-35.47
N#CC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=C1	REAL300013834913	1	42	0.0	-39.95	349.00	4.82	-35.13
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCSC2)CC1	REAL300013834986	1	46	0.0	-36.27	355.28	6.43	-29.84
CC(=O)NC1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013835050	1	52	0.0	-46.97	395.02	4.25	-42.72
COC1=CC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=C1OC	REAL300013835121	1	56	0.0	-39.71	427.68	7.02	-32.69
CC(C)CC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013835161	0	60	0.0	-72.56	439.46	12.43	-60.13
CC(C)CC1=CC=C(C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)[NH+](C)C)C=C1	REAL300013835162	0	60	0.0	-77.72	465.93	11.15	-66.57
CC(C)CC1=CC=C(C(CNC(=O)N2CCOC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835163	0	58	0.0	-76.53	435.22	10.00	-66.53
CC(C)CC1=CC=C(C(CNC(=O)NC2CCC(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013835164	0	63	0.0	-70.40	462.81	11.22	-59.18
CC(C)CC1=CC=C(C(CNC(=O)NCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013835165	0	59	0.0	-75.04	449.72	9.82	-65.22
CC(C)CC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300013835166	0	60	0.0	-78.32	465.98	11.13	-67.19
CC(C)CC1=CC=C(C(CNC(=O)NCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013835167	0	53	0.0	-71.24	406.72	8.24	-63.00
CC(C)CC1=CC=C(C(CNC(=O)NCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013835168	0	62	0.0	-74.42	471.16	10.60	-63.82
CC(C)CC1=CC=C(C(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013835169	0	59	0.0	-74.24	442.10	9.70	-64.54
CC(C)CC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835170	0	60	0.0	-74.34	442.99	12.04	-62.30
CC(C)CC1=CC=C(C(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835171	0	63	0.0	-54.33	461.07	13.04	-41.29
CC(C)CC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013835172	0	63	0.0	-76.81	456.08	11.86	-64.95
CC(C)CC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013835173	0	56	0.0	-70.28	428.21	9.04	-61.24
CC(C)CC1=CC=C(C(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835174	0	63	0.0	-77.42	454.98	12.85	-64.57
CC(C)CC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013835175	0	62	0.0	-71.41	461.45	9.92	-61.49
CCC(CC)(CNC(=O)NCC(C1=CC=C(CC(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013835176	0	65	0.0	-66.43	473.80	10.72	-55.71
CC(C)CC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013835177	0	56	0.0	-72.67	425.22	9.01	-63.66
CC(C)CC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300013835178	0	62	0.0	-67.12	464.00	10.18	-56.94
CC(C)CC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835179	0	60	0.0	-68.58	449.74	10.29	-58.29
CC(C)CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300013835180	0	63	0.0	-61.78	463.45	11.99	-49.79
CC(C)CC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)[NH+](C)C)C=C1	REAL300013835181	0	63	0.0	-69.94	455.49	12.26	-57.68
CC(C)CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCC2)[NH+](C)C)C=C1	REAL300013835182	0	60	0.0	-54.63	446.13	11.37	-43.26
CC(C)CC1=CC=C(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300013835183	0	63	0.0	-73.58	474.08	11.10	-62.48
CC(C)CC1=CC=C(C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013835184	0	63	0.0	-76.81	456.08	11.86	-64.95
CC(C)CC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+](C)C)C=C1	REAL300013835185	0	60	0.0	-70.51	459.58	11.25	-59.26
CC(C)CC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835186	0	57	0.0	-70.46	433.31	9.60	-60.86
CC(C)CC1=CC=C(C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835187	0	60	0.0	-61.45	442.16	11.53	-49.92
CC(C)CC1=CC=C(C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835188	0	60	0.0	-75.74	442.24	11.52	-64.22
CC(C)CC1=CC=C(C(CNC(=O)NC2CC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835189	0	57	0.0	-70.17	430.41	10.50	-59.67
CC(C)CC1=CC=C(C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835190	0	57	0.0	-72.32	433.51	9.65	-62.67
CC(C)CC1=CC=C(C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)[NH+](C)C)C=C1	REAL300013835191	0	60	0.0	-78.32	465.98	11.13	-67.19
CCC(CNC(=O)NCC(C1=CC=C(CC(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013835192	0	59	0.0	-64.09	441.73	9.90	-54.19
CC(C)CC1=CC=C(C(CNC(=O)NCCCCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013835193	0	65	0.0	-76.91	492.71	11.38	-65.53
CC(C)CC1=CC=C(C(CNC(=O)N(C)CCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013835194	0	59	0.0	-72.26	445.85	11.43	-60.83
CC(C)CC1=CC=C(C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835195	0	63	0.0	-76.76	457.70	12.31	-64.45
COCCN(CCC(=O)[O-])C(=O)NCC(C1=CC=C(CC(C)C)C=C1)[NH+](C)C	REAL300013835196	0	63	0.0	-64.35	477.53	10.79	-53.56
CC(C)CC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])CCC2C)[NH+](C)C)C=C1	REAL300013835197	0	63	0.0	-62.48	458.38	12.15	-50.33
CC(C)CC1=CC=C(C(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835198	0	61	0.0	-74.05	452.43	9.11	-64.94
CC(C)CC1=CC=C(C(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)[NH+](C)C)C=C1	REAL300013835199	0	58	0.0	-76.48	443.37	9.84	-66.64
CC(C)CC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013835200	0	63	0.0	-67.02	461.56	12.25	-54.77
CC(C)CC1=CC=C(C(CNC(=O)N2CCC(CC(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013835201	0	63	0.0	-76.46	457.99	13.14	-63.32
CC(C)CC1=CC=C(C(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835202	0	63	0.0	-71.13	468.17	10.82	-60.31
CC(C)CC1=CC=C(C(CNC(=O)NC2CCCC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835203	0	63	0.0	-68.64	461.56	12.24	-56.40
CC(C)CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOC2)[NH+](C)C)C=C1	REAL300013835204	0	61	0.0	-62.63	455.36	8.37	-54.26
CC(C)CC1=CC=C(C(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+](C)C)C=C1	REAL300013835205	0	58	0.0	-67.74	442.28	11.31	-56.43
CC(C)CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CC2)[NH+](C)C)C=C1	REAL300013835206	0	57	0.0	-56.82	430.64	10.86	-45.96
CC(C)CC1=CC=C(C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835207	0	61	0.0	-78.72	447.45	11.67	-67.05
CC(C)CC1=CC=C(C(CNC(=O)N2CC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835208	0	54	0.0	-66.38	414.34	9.89	-56.49
CC(C)CC1=CC=C(C(CNC(=O)N2CCC(C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013835209	0	57	0.0	-73.43	426.12	11.51	-61.92
CC(C)CC1=CC=C(C(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)[NH+](C)C)C=C1	REAL300013835210	0	58	0.0	-76.57	444.10	10.34	-66.23
CC(C)CC1=CC=C(C(CNC(=O)NC(C)CCC(=O)[O-])[NH+](C)C)C=C1	REAL300013835211	0	59	0.0	-69.55	447.92	10.05	-59.50
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CC1C(NC(=O)N2CC(C)CC(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835852	0	55	0.0	-58.79	404.90	10.55	-48.24
CC1C(NC(=O)N2CC(C)CC(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835852	1	55	0.0	-58.36	404.71	10.53	-47.83
CC1C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835853	0	55	0.0	-74.95	406.40	10.25	-64.70
CC1C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835853	1	55	0.0	-74.27	398.46	9.82	-64.45
CC1C(NC(=O)NCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013835854	0	48	0.0	-70.31	371.69	7.09	-63.22
CC1C(NC(=O)NCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013835854	1	48	0.0	-68.96	368.74	7.75	-61.21
CC1C(NC(=O)N2CCC(C)C(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835855	0	55	0.0	-79.60	398.67	10.44	-69.16
CC1C(NC(=O)N2CCC(C)C(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835855	1	55	0.0	-57.50	398.21	10.42	-47.08
CC1C(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835856	0	56	0.0	-63.09	419.34	7.73	-55.36
CC1C(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835856	1	56	0.0	-63.55	411.51	7.25	-56.30
CC1C(NC(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013835857	0	54	0.0	-71.35	404.97	7.97	-63.38
CC1C(NC(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013835857	1	54	0.0	-70.00	402.03	8.63	-61.37
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CC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300013835859	0	48	0.0	-73.88	368.73	7.05	-66.83
CC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300013835859	1	48	0.0	-72.53	365.78	7.70	-64.83
CC(C)C(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300013835860	0	54	0.0	-65.19	407.48	8.24	-56.95
CC(C)C(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300013835860	1	54	0.0	-58.24	399.26	8.99	-49.25
CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013835861	0	61	0.0	-76.78	447.60	9.89	-66.89
CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013835861	1	61	0.0	-77.88	442.85	10.41	-67.47
CC1C(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835862	0	58	0.0	-65.30	440.56	10.41	-54.89
CC1C(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835862	1	58	0.0	-59.75	435.66	11.08	-48.67
CC1C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835863	0	52	0.0	-70.66	401.10	8.86	-61.80
CC1C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835863	1	52	0.0	-71.75	395.80	8.46	-63.29
CC1C(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835864	0	58	0.0	-74.65	424.18	11.55	-63.10
CC1C(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835864	1	58	0.0	-73.06	420.87	11.30	-61.76
CC1C(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835865	0	54	0.0	-74.09	405.74	8.05	-66.04
CC1C(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835865	1	54	0.0	-75.00	399.28	8.18	-66.82
CC1C(NC(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835866	0	55	0.0	-63.05	417.70	9.58	-53.47
CC1C(NC(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835866	1	55	0.0	-63.48	406.03	9.55	-53.93
CC1C(NC(=O)N2CCC(C(=O)[O-])C(C)C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835867	0	55	0.0	-74.57	397.96	10.40	-64.17
CC1C(NC(=O)N2CCC(C(=O)[O-])C(C)C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835867	1	55	0.0	-74.18	393.82	10.71	-63.47
CC1C(NC(=O)NCC2(C(=O)[O-])CCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835868	0	52	0.0	-61.99	393.93	9.01	-52.98
CC1C(NC(=O)NCC2(C(=O)[O-])CCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835868	1	52	0.0	-61.35	388.00	8.86	-52.49
CC1C(NC(=O)NCC(CC(=O)[O-])C2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835869	0	55	0.0	-72.11	413.34	10.53	-61.58
CC1C(NC(=O)NCC(CC(=O)[O-])C2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835869	1	55	0.0	-74.59	421.00	9.99	-64.60
CC1C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835870	0	55	0.0	-74.95	406.40	10.25	-64.70
CC1C(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835870	1	55	0.0	-74.27	398.46	9.82	-64.45
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)CC(=O)[O-]	REAL300013835871	0	60	0.0	-69.00	432.94	9.73	-59.27
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)CC(=O)[O-]	REAL300013835871	1	60	0.0	-70.48	434.44	9.94	-60.54
CC1C(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013835872	0	52	0.0	-69.37	406.46	10.17	-59.20
CC1C(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013835872	1	52	0.0	-67.55	405.08	9.86	-57.69
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C1	REAL300013835873	0	56	0.0	-72.30	421.86	8.95	-63.35
COCC1(C(=O)[O-])CCN(C(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2C)C1	REAL300013835873	1	56	0.0	-78.04	424.94	10.02	-68.02
CC1C(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835874	0	49	0.0	-71.24	380.12	8.51	-62.73
CC1C(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835874	1	49	0.0	-69.57	372.33	7.93	-61.64
CC1C(NC(=O)NC2CCN(CC(=O)[O-])CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835875	0	57	0.0	-76.34	432.33	7.16	-69.18
CC1C(NC(=O)NC2CCN(CC(=O)[O-])CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835875	1	57	0.0	-75.83	428.03	7.52	-68.31
CC1C(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835876	0	52	0.0	-59.48	389.18	9.74	-49.74
CC1C(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835876	1	52	0.0	-78.39	389.31	10.43	-67.96
CC1C(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835877	0	52	0.0	-59.46	388.60	9.71	-49.75
CC1C(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835877	1	52	0.0	-79.50	389.11	9.72	-69.78
CC1C(NC(=O)NC2CC(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835878	0	49	0.0	-72.94	378.71	8.24	-64.70
CC1C(NC(=O)NC2CC(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835878	1	49	0.0	-70.93	385.10	8.14	-62.79
CC1C(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835879	0	49	0.0	-73.66	380.07	8.57	-65.09
CC1C(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835879	1	49	0.0	-73.39	384.19	8.17	-65.22
CC1C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835880	0	52	0.0	-76.56	409.45	9.18	-67.38
CC1C(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835880	1	52	0.0	-76.76	405.73	9.57	-67.19
CCC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300013835881	0	51	0.0	-62.03	385.67	7.86	-54.17
CCC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300013835881	1	51	0.0	-60.74	387.74	8.41	-52.33
CC1C(NC(=O)N2CCCCC2CCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013835882	0	58	0.0	-78.03	421.97	11.50	-66.53
CC1C(NC(=O)N2CCCCC2CCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013835882	1	58	0.0	-81.11	416.12	11.39	-69.72
CC1C(NC(=O)NCCCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013835883	0	60	0.0	-76.95	457.68	10.21	-66.74
CC1C(NC(=O)NCCCCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013835883	1	60	0.0	-76.11	454.74	10.87	-65.24
CC1C(NC(=O)NCCCCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013835884	0	57	0.0	-77.57	436.18	9.43	-68.14
CC1C(NC(=O)NCCCCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013835884	1	57	0.0	-76.82	433.24	10.09	-66.73
CC1C(NC(=O)N(C)CCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013835885	0	51	0.0	-75.30	392.45	10.33	-64.97
CC1C(NC(=O)N(C)CCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013835885	1	51	0.0	-75.27	392.07	9.65	-65.62
CC1C(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013835886	0	55	0.0	-80.30	404.12	10.42	-69.88
CC1C(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013835886	1	55	0.0	-79.82	405.45	11.18	-68.64
COCC1(C(=O)[O-])CCCN(C(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2C)C1	REAL300013835887	0	59	0.0	-85.15	429.27	9.89	-75.26
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CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=NC=C2OCCC[NH+](C)C)C1	REAL300013836000	0	57	0.0	-65.08	432.90	8.33	-56.75
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CC1CCN(C(=O)NCC2=CC=NC=C2OCCC[NH+](C)C)CC1C(=O)[O-]	REAL300013836003	0	57	0.0	-64.49	433.36	7.97	-56.52
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C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013836037	0	55	0.0	-72.61	426.76	5.07	-67.54
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013836038	0	52	0.0	-77.74	417.93	5.81	-71.93
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013836039	0	57	0.0	-64.14	438.69	7.25	-56.89
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013836040	0	60	0.0	-77.77	462.85	7.54	-70.23
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013836041	0	57	0.0	-73.61	434.92	8.19	-65.42
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C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013836043	0	57	0.0	-74.79	442.58	6.81	-67.98
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013836044	0	57	0.0	-74.72	442.58	6.81	-67.91
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013836045	0	58	0.0	-68.92	445.04	5.39	-63.53
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013836046	0	55	0.0	-61.76	429.86	4.36	-57.40
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013836047	0	52	0.0	-74.74	419.65	6.31	-68.43
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)NCC1(C(=O)[O-])CC1	REAL300013836048	0	51	0.0	-66.95	408.36	5.98	-60.97
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013836049	0	58	0.0	-66.86	444.97	8.29	-58.57
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013836050	0	55	0.0	-78.05	425.02	6.75	-71.30
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)N1CC(C(=O)[O-])C1	REAL300013836051	0	48	0.0	-66.02	388.96	5.80	-60.22
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=NC=C2OCCC[NH+](C)C)C1	REAL300013836052	0	58	0.0	-63.08	448.25	6.61	-56.47
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)N1CCC(C(=O)[O-])C1	REAL300013836053	0	51	0.0	-72.43	403.86	6.61	-65.82
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013836054	0	52	0.0	-75.57	418.59	6.33	-69.24
CC(CCC(=O)[O-])NC(=O)NCC1=CC=NC=C1OCCC[NH+](C)C	REAL300013836055	0	53	0.0	-64.42	422.46	6.05	-58.37
CC1OC2=CC=CC=C2C1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013836141	1	47	0.0	-37.12	367.85	6.22	-30.90
CC(=O)N1CC2CCCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2C1	REAL300013836213	1	56	0.0	-41.63	418.87	6.31	-35.32
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013836260	0	51	0.0	-77.31	386.39	10.10	-67.21
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013836260	1	51	0.0	-76.23	386.57	10.14	-66.09
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013836261	0	51	0.0	-80.69	409.04	9.67	-71.02
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013836261	1	51	0.0	-79.75	409.03	9.66	-70.09
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013836262	0	49	0.0	-64.43	378.02	8.46	-55.97
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013836262	1	49	0.0	-81.38	378.25	8.54	-72.84
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013836263	0	54	0.0	-82.35	411.67	9.34	-73.01
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013836263	1	54	0.0	-81.43	411.66	9.34	-72.09
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCC(=O)[O-]	REAL300013836264	0	50	0.0	-79.43	392.68	8.35	-71.08
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCC(=O)[O-]	REAL300013836264	1	50	0.0	-78.31	392.77	8.34	-69.97
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013836265	0	51	0.0	-77.97	408.95	9.66	-68.31
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013836265	1	51	0.0	-77.78	409.04	9.65	-68.13
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013836266	0	53	0.0	-78.13	414.18	9.13	-69.00
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013836266	1	53	0.0	-77.01	414.27	9.12	-67.89
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013836267	0	50	0.0	-79.44	385.13	8.23	-71.21
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013836267	1	50	0.0	-78.66	385.21	8.22	-70.44
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013836268	0	51	0.0	-76.04	389.33	9.64	-66.40
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013836268	1	51	0.0	-81.15	389.37	9.72	-71.43
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013836269	0	54	0.0	-82.47	405.92	10.59	-71.88
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013836269	1	54	0.0	-82.33	402.18	10.91	-71.42
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013836270	0	54	0.0	-78.11	398.31	10.28	-67.83
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013836270	1	54	0.0	-77.11	398.48	10.32	-66.79
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C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013836272	0	54	0.0	-62.71	404.79	10.55	-52.16
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013836272	1	54	0.0	-59.58	396.97	10.31	-49.27
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013836273	0	55	0.0	-63.02	411.36	7.73	-55.29
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013836273	1	55	0.0	-64.20	411.36	7.71	-56.49
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CCC(CC)(CNC(=O)N[C@H](C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013836275	0	56	0.0	-61.00	414.12	9.57	-51.43
CCC(CC)(CNC(=O)N[C@H](C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013836275	1	56	0.0	-66.90	416.86	9.24	-57.66
CC(CNC(=O)N[C@H](C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013836276	0	47	0.0	-76.99	368.23	7.53	-69.46
CC(CNC(=O)N[C@H](C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013836276	1	47	0.0	-76.97	369.13	7.55	-69.42
CC(C)C(CNC(=O)N[C@H](C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013836277	0	53	0.0	-65.64	401.72	8.82	-56.82
CC(C)C(CNC(=O)N[C@H](C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013836277	1	53	0.0	-64.95	401.81	8.81	-56.14
CC(NC(=O)N[C@H](C)C[N@H+](C)CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013836278	0	60	0.0	-82.80	444.11	10.11	-72.69
CC(NC(=O)N[C@H](C)C[N@@H+](C)CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013836278	1	60	0.0	-81.53	447.03	10.57	-70.96
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013836279	0	57	0.0	-64.90	440.06	10.89	-54.01
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013836279	1	57	0.0	-62.62	434.76	11.11	-51.51
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013836280	0	51	0.0	-73.41	392.97	8.84	-64.57
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013836280	1	51	0.0	-72.85	392.68	8.83	-64.02
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013836281	0	57	0.0	-80.13	425.69	11.49	-68.64
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013836281	1	57	0.0	-78.78	425.87	11.53	-67.25
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013836282	0	53	0.0	-79.76	403.21	8.18	-71.58
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013836282	1	53	0.0	-77.09	402.37	8.29	-68.80
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013836283	0	54	0.0	-62.42	409.73	9.62	-52.80
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013836283	1	54	0.0	-63.75	409.73	9.61	-54.14
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013836284	0	54	0.0	-76.28	398.28	10.75	-65.53
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013836284	1	54	0.0	-75.22	398.46	10.80	-64.42
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013836285	0	51	0.0	-60.75	391.76	8.92	-51.83
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013836285	1	51	0.0	-61.88	391.75	8.91	-52.97
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013836286	0	54	0.0	-78.36	416.70	9.55	-68.81
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013836286	1	54	0.0	-76.67	417.24	9.69	-66.98
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C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013836287	1	54	0.0	-77.11	398.48	10.32	-66.79
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C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013836289	0	51	0.0	-66.31	402.64	9.78	-56.53
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013836289	1	51	0.0	-69.30	402.62	9.77	-59.53
COCC1(C(=O)[O-])CCN(C(=O)N[C@H](C)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300013836290	0	55	0.0	-86.24	421.44	8.72	-77.52
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C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013836291	0	48	0.0	-74.32	376.30	8.13	-66.19
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CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013836737	1	54	0.0	-58.25	393.75	6.38	-51.87
CCCC[N@H+](C)C[C@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013836738	0	52	0.0	-70.56	388.58	7.05	-63.51
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013836738	1	52	0.0	-70.87	388.59	7.07	-63.80
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013836739	0	55	0.0	-55.95	396.19	8.01	-47.94
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013836739	1	55	0.0	-64.83	400.90	7.86	-56.97
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013836740	0	52	0.0	-62.88	384.82	7.44	-55.44
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013836740	1	52	0.0	-61.10	391.10	7.34	-53.76
CCCC[N@H+](C)C[C@H](C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013836741	0	59	0.0	-75.23	428.09	8.69	-66.54
CCCC[N@@H+](C)C[C@H](C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013836741	1	59	0.0	-80.82	431.55	9.22	-71.60
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013836742	0	56	0.0	-64.80	424.17	9.49	-55.31
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013836742	1	56	0.0	-62.20	418.78	9.74	-52.46
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013836743	0	56	0.0	-76.40	409.76	10.08	-66.32
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013836743	1	56	0.0	-74.90	409.88	10.10	-64.80
CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013836744	0	52	0.0	-70.01	387.23	6.76	-63.25
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013836744	1	52	0.0	-72.20	387.21	6.79	-65.41
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013836745	0	53	0.0	-63.94	393.75	8.20	-55.74
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013836745	1	53	0.0	-64.23	393.75	8.23	-56.00
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013836746	0	53	0.0	-69.50	382.32	9.34	-60.16
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013836746	1	53	0.0	-75.63	382.56	9.43	-66.20
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013836747	0	53	0.0	-70.77	400.80	8.15	-62.62
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013836747	1	53	0.0	-72.99	400.92	8.20	-64.79
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013836748	0	53	0.0	-76.96	382.41	8.86	-68.10
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013836748	1	53	0.0	-75.97	383.15	8.96	-67.01
CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013836749	0	58	0.0	-65.64	427.20	8.77	-56.87
CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013836749	1	58	0.0	-68.09	421.20	8.51	-59.58
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013836750	0	50	0.0	-70.11	386.66	8.38	-61.73
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013836750	1	50	0.0	-70.66	386.66	8.40	-62.26
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013836751	0	54	0.0	-71.07	407.01	7.33	-63.74
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013836751	1	54	0.0	-72.45	407.01	7.34	-65.11
CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013836752	0	55	0.0	-73.56	408.79	5.79	-67.77
CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013836752	1	55	0.0	-73.89	408.57	5.76	-68.13
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013836753	0	60	0.0	-80.29	452.32	9.91	-70.38
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013836753	1	60	0.0	-64.78	447.12	10.23	-54.55
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013836754	0	50	0.0	-78.15	393.06	8.26	-69.89
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013836754	1	50	0.0	-78.18	393.13	8.29	-69.89
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013836755	0	60	0.0	-52.89	453.04	10.12	-42.77
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013836755	1	60	0.0	-53.69	453.06	10.15	-43.54
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013836756	0	56	0.0	-81.04	403.05	9.98	-71.06
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013836756	1	56	0.0	-81.59	403.42	10.04	-71.55
CCCC[N@H+](C)C[C@H](C)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013836757	0	58	0.0	-76.82	441.29	9.29	-67.53
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013836757	1	58	0.0	-77.06	441.30	9.31	-67.75
CCCC[N@H+](C)C[C@H](C)NC(=O)NCCCCCCC(=O)[O-]	REAL300013836758	0	55	0.0	-77.66	419.79	8.51	-69.15
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCCCCCC(=O)[O-]	REAL300013836758	1	55	0.0	-78.18	419.80	8.53	-69.65
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013836759	0	53	0.0	-79.57	385.01	9.35	-70.22
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013836759	1	53	0.0	-57.32	384.71	9.37	-47.95
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013836760	0	57	0.0	-82.68	415.78	9.14	-73.54
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013836760	1	57	0.0	-84.40	417.03	8.55	-75.85
CCCC[N@H+](C)C[C@H](C)NC(=O)N(CCOC)CCC(=O)[O-]	REAL300013836761	0	53	0.0	-55.65	404.62	7.89	-47.76
CCCC[N@@H+](C)C[C@H](C)NC(=O)N(CCOC)CCC(=O)[O-]	REAL300013836761	1	53	0.0	-55.53	404.61	7.91	-47.62
CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013836762	0	59	0.0	-78.69	443.19	10.58	-68.11
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013836762	1	59	0.0	-79.45	444.37	10.26	-69.19
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013836763	0	56	0.0	-78.97	410.06	10.06	-68.91
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013836763	1	56	0.0	-79.54	410.11	10.09	-69.45
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013836764	0	54	0.0	-72.92	402.32	11.37	-61.55
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013836764	1	54	0.0	-76.34	402.31	11.40	-64.94
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013836765	0	61	0.0	-68.19	459.54	8.27	-59.92
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013836765	1	61	0.0	-68.83	459.18	8.16	-60.67
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013836766	0	51	0.0	-68.90	382.29	7.38	-61.52
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013836766	1	51	0.0	-68.72	381.93	7.32	-61.40
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013836767	0	53	0.0	-56.66	386.34	9.23	-47.43
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013836767	1	53	0.0	-56.24	386.37	9.29	-46.95
CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013836768	0	57	0.0	-63.75	432.01	11.09	-52.66
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013836768	1	57	0.0	-63.88	432.01	11.14	-52.74
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013836769	0	51	0.0	-59.45	379.31	6.17	-53.28
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013836769	1	51	0.0	-59.48	379.35	6.21	-53.27
CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013836770	0	54	0.0	-73.99	415.74	9.48	-64.51
CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013836770	1	54	0.0	-74.25	415.81	9.52	-64.73
CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013836771	0	57	0.0	-76.57	421.37	8.46	-68.11
CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013836771	1	57	0.0	-81.58	421.15	8.42	-73.16
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013836772	0	57	0.0	-77.56	413.31	8.80	-68.76
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013836772	1	57	0.0	-77.81	413.33	8.82	-68.99
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013836773	0	59	0.0	-63.60	416.71	8.91	-54.69
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013836773	1	59	0.0	-65.18	416.69	8.95	-56.23
CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013836774	0	53	0.0	-64.07	391.26	8.37	-55.70
CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013836774	1	53	0.0	-68.47	389.94	8.35	-60.12
CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013836775	0	56	0.0	-76.84	415.44	8.67	-68.17
CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013836775	1	56	0.0	-76.91	415.52	8.70	-68.21
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013836776	0	53	0.0	-67.18	387.40	9.30	-57.88
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013836776	1	53	0.0	-76.54	387.57	9.32	-67.22
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013836777	0	54	0.0	-78.59	404.05	8.72	-69.87
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013836777	1	54	0.0	-74.82	404.17	8.75	-66.07
CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013836778	0	53	0.0	-72.68	395.16	7.93	-64.75
CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013836778	1	53	0.0	-72.99	395.15	7.95	-65.04
CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013836779	0	53	0.0	-66.92	390.73	8.35	-58.57
CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013836779	1	53	0.0	-73.17	395.68	7.96	-65.21
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013836780	0	54	0.0	-61.50	397.63	6.52	-54.98
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013836780	1	54	0.0	-62.02	397.62	6.55	-55.47
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013836781	0	51	0.0	-57.85	382.44	5.50	-52.35
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013836781	1	51	0.0	-58.79	382.44	5.52	-53.27
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013836782	0	62	0.0	-76.97	468.27	10.63	-66.34
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013836782	1	62	0.0	-77.11	468.27	10.66	-66.45
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013836783	0	54	0.0	-64.34	397.52	9.42	-54.92
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013836783	1	54	0.0	-64.41	397.54	9.43	-54.98
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013836784	0	50	0.0	-69.71	389.79	8.48	-61.23
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013836784	1	50	0.0	-65.71	389.22	8.50	-57.21
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013836785	0	51	0.0	-79.42	377.65	7.85	-71.57
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013836785	1	51	0.0	-79.72	377.76	7.92	-71.80
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013836786	0	54	0.0	-56.91	400.75	7.71	-49.20
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013836786	1	54	0.0	-78.63	402.46	7.64	-70.99
CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013836787	0	59	0.0	-82.47	448.29	7.16	-75.31
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013836787	1	59	0.0	-82.20	448.20	7.16	-75.04
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(CC(F)(F)F)CC2)CC1	REAL300013836820	1	50	0.0	-36.53	386.91	4.71	-31.82
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2CN2C=CN=C2)CC1	REAL300013836896	1	52	0.0	-40.93	406.41	9.51	-31.42
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(CN3C=NC=N3)C=C2)CC1	REAL300013836971	1	51	0.0	-42.76	411.67	9.36	-33.40
COC1=CC=CC(C2(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)CC2)=C1	REAL300013837044	1	53	0.0	-37.94	414.50	7.60	-30.34
COCC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)OCCC2=CC=CC=C21	REAL300013837118	1	57	0.0	-36.51	427.96	7.27	-29.24
CC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCCC1	REAL300013837173	1	51	0.0	-35.21	365.22	7.13	-28.08
CC1=NN=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013837223	1	43	0.0	-42.49	355.83	3.83	-38.66
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C3SC=CC3=C2)CC1	REAL300013837290	1	45	0.0	-36.97	370.07	7.62	-29.35
CCC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)OCCC2=CC=CC=C21	REAL300013837367	1	56	0.0	-36.70	414.71	7.68	-29.02
C=CCCCCCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013837427	1	54	0.0	-35.51	414.64	8.45	-27.06
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC(=O)NC2C2CCCO2)CC1	REAL300013837547	1	54	0.0	-40.06	404.32	3.83	-36.23
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3=C2C=C(Cl)S3)CC1	REAL300013837678	1	43	0.0	-42.77	363.26	7.19	-35.58
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013837721	0	50	0.0	-77.05	393.15	8.29	-68.76
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013837721	1	50	0.0	-77.04	393.05	8.27	-68.77
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013837722	0	48	0.0	-79.74	362.23	7.13	-72.61
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013837722	1	48	0.0	-78.75	362.07	7.08	-71.67
CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013837723	0	53	0.0	-79.26	395.73	7.97	-71.29
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013837723	1	53	0.0	-78.75	395.70	7.94	-70.81
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013837724	0	50	0.0	-73.46	393.10	8.29	-65.17
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013837724	1	50	0.0	-73.12	393.06	8.25	-64.87
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCCCCC(=O)[O-]	REAL300013837725	0	52	0.0	-74.65	398.33	7.75	-66.90
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCCCCCC(=O)[O-]	REAL300013837725	1	52	0.0	-74.39	398.29	7.72	-66.67
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013837726	0	60	0.0	-75.54	441.95	11.78	-63.76
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013837726	1	60	0.0	-77.11	445.09	12.05	-65.06
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013837727	0	53	0.0	-54.83	386.42	9.53	-45.30
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013837727	1	53	0.0	-78.95	390.10	9.17	-69.78
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013837728	0	53	0.0	-75.76	382.61	8.90	-66.86
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013837728	1	53	0.0	-75.22	382.33	8.85	-66.37
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013837729	0	53	0.0	-56.74	384.29	9.00	-47.74
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013837729	1	53	0.0	-56.61	385.19	9.04	-47.57
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013837730	0	54	0.0	-57.65	396.46	6.16	-51.49
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013837730	1	54	0.0	-58.41	395.38	6.31	-52.10
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013837731	0	52	0.0	-70.82	388.62	7.08	-63.74
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013837731	1	52	0.0	-70.70	388.00	7.03	-63.67
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013837732	0	55	0.0	-58.90	398.64	8.12	-50.78
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013837732	1	55	0.0	-62.03	396.18	8.00	-54.03
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013837733	0	52	0.0	-65.47	391.12	7.35	-58.12
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013837733	1	52	0.0	-62.61	385.83	7.41	-55.20
CCCC[N@H+](C)C[C@@H](C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013837734	0	59	0.0	-80.23	428.43	8.77	-71.46
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013837734	1	59	0.0	-79.98	428.08	8.70	-71.28
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013837735	0	56	0.0	-61.04	424.26	9.51	-51.53
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013837735	1	56	0.0	-60.18	424.17	9.48	-50.70
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013837736	0	56	0.0	-77.53	410.00	10.12	-67.41
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013837736	1	56	0.0	-78.09	409.80	10.07	-68.02
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013837737	0	52	0.0	-75.00	386.55	6.95	-68.05
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013837737	1	52	0.0	-74.14	386.51	6.92	-67.22
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013837738	0	53	0.0	-58.68	393.85	8.23	-50.45
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013837738	1	53	0.0	-63.18	390.75	8.42	-54.76
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013837739	0	53	0.0	-75.06	381.52	9.30	-65.76
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013837739	1	53	0.0	-74.49	382.42	9.33	-65.16
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013837740	0	53	0.0	-75.73	401.36	8.29	-67.44
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013837740	1	53	0.0	-75.29	400.80	8.15	-67.14
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013837741	0	53	0.0	-75.76	382.61	8.90	-66.86
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013837741	1	53	0.0	-75.22	382.33	8.85	-66.37
CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013837742	0	58	0.0	-73.17	421.21	8.53	-64.64
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013837742	1	58	0.0	-67.47	427.21	8.78	-58.69
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013837743	0	50	0.0	-63.12	386.79	8.38	-54.74
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013837743	1	50	0.0	-61.42	386.69	8.35	-53.07
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013837744	0	54	0.0	-83.63	405.55	7.36	-76.27
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013837744	1	54	0.0	-83.02	405.46	7.31	-75.71
CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013837745	0	55	0.0	-73.84	408.64	5.80	-68.04
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013837745	1	55	0.0	-73.30	408.79	5.78	-67.52
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013837746	0	60	0.0	-61.95	452.29	9.87	-52.08
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013837746	1	60	0.0	-77.20	447.29	10.07	-67.13
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013837747	0	50	0.0	-73.46	393.10	8.29	-65.17
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013837747	1	50	0.0	-73.12	393.06	8.25	-64.87
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013837748	0	60	0.0	-68.18	453.72	10.17	-58.01
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013837748	1	60	0.0	-68.28	453.59	10.11	-58.17
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013837749	0	56	0.0	-81.98	403.06	9.99	-71.99
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013837749	1	56	0.0	-79.77	403.34	10.02	-69.75
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013837750	0	58	0.0	-77.05	441.33	9.32	-67.73
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013837750	1	58	0.0	-76.82	441.29	9.28	-67.54
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCCCCCC(=O)[O-]	REAL300013837751	0	55	0.0	-78.09	419.83	8.54	-69.55
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCCCCCCC(=O)[O-]	REAL300013837751	1	55	0.0	-77.71	419.79	8.50	-69.21
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013837752	0	53	0.0	-81.91	385.38	9.42	-72.49
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013837752	1	53	0.0	-81.05	385.03	9.34	-71.71
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013837753	0	57	0.0	-86.36	417.39	8.58	-77.78
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013837753	1	57	0.0	-82.26	416.15	9.15	-73.11
CCCC[N@H+](C)C[C@@H](C)NC(=O)N(CCOC)CCC(=O)[O-]	REAL300013837754	0	53	0.0	-50.30	404.20	7.90	-42.40
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(CCOC)CCC(=O)[O-]	REAL300013837754	1	53	0.0	-53.48	404.60	7.88	-45.60
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013837755	0	59	0.0	-81.69	443.11	10.17	-71.52
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013837755	1	59	0.0	-81.21	443.02	10.12	-71.09
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013837756	0	56	0.0	-63.35	409.23	10.00	-53.35
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013837756	1	56	0.0	-79.24	410.10	10.04	-69.20
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013837757	0	54	0.0	-83.19	401.55	11.33	-71.86
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013837757	1	54	0.0	-82.09	402.39	11.38	-70.71
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013837758	0	61	0.0	-78.43	459.12	8.14	-70.29
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013837758	1	61	0.0	-77.41	459.45	8.28	-69.13
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013837759	0	51	0.0	-73.21	382.35	7.43	-65.78
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013837759	1	51	0.0	-72.84	382.19	7.40	-65.44
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013837760	0	53	0.0	-54.73	385.50	9.25	-45.48
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013837760	1	53	0.0	-55.71	385.12	9.19	-46.52
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013837761	0	57	0.0	-56.52	430.85	11.22	-45.30
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013837761	1	57	0.0	-56.19	430.74	11.19	-45.00
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013837762	0	51	0.0	-78.16	378.47	6.12	-72.04
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013837762	1	51	0.0	-76.89	379.39	6.16	-70.73
CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013837763	0	54	0.0	-74.00	415.78	9.52	-64.48
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013837763	1	54	0.0	-73.99	415.74	9.49	-64.50
CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013837764	0	57	0.0	-90.02	421.26	8.45	-81.57
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013837764	1	57	0.0	-89.05	421.35	8.47	-80.58
CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013837765	0	57	0.0	-80.66	412.47	8.74	-71.92
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013837765	1	57	0.0	-79.45	414.62	8.03	-71.42
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013837766	0	59	0.0	-78.56	416.13	8.92	-69.64
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013837766	1	59	0.0	-77.88	416.64	8.92	-68.96
CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013837767	0	53	0.0	-64.37	390.02	8.36	-56.01
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013837767	1	53	0.0	-64.11	389.93	8.33	-55.78
CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013837768	0	56	0.0	-76.75	415.54	8.70	-68.05
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013837768	1	56	0.0	-76.00	414.12	8.64	-67.36
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COCC1(C(=O)[O-])CCCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C1	REAL300013837800	1	54	0.0	-79.18	389.47	8.13	-71.05
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CC(C)[N@H+](C)C[C@H](C)NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013837802	1	56	0.0	-75.39	418.07	9.23	-66.16
CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013837803	0	53	0.0	-76.61	380.03	9.57	-67.04
CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013837803	1	53	0.0	-75.52	383.75	9.06	-66.46
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CC(=O)N(CC(=O)[O-])CC1CN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CCO1	REAL300013837805	1	58	0.0	-65.20	433.23	7.27	-57.93
CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013837806	0	48	0.0	-65.63	355.97	6.39	-59.24
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CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013837809	0	51	0.0	-69.57	381.07	8.74	-60.83
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CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013837818	1	51	0.0	-61.45	371.23	8.41	-53.04
CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013837819	0	47	0.0	-67.17	364.89	7.49	-59.68
CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013837819	1	47	0.0	-66.84	359.59	7.95	-58.89
CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013837820	0	48	0.0	-76.01	347.51	7.38	-68.63
CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013837820	1	48	0.0	-76.13	351.25	6.88	-69.25
COC1CC(C(=O)[O-])CN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)C1	REAL300013837821	0	51	0.0	-78.35	370.50	7.15	-71.20
COC1CC(C(=O)[O-])CN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C1	REAL300013837821	1	51	0.0	-74.47	376.12	6.61	-67.86
CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013837822	0	56	0.0	-78.26	417.98	6.63	-71.63
CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013837822	1	56	0.0	-79.20	421.97	6.18	-73.02
CC1CC[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013837840	0	54	0.0	-73.91	394.55	9.24	-64.67
CC1CC[NH+](CCCCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013837841	0	54	0.0	-77.21	418.64	8.87	-68.34
CC1CC[NH+](CCCCNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013837842	0	52	0.0	-65.07	387.68	7.71	-57.36
CC1CC[NH+](CCCCNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013837843	0	57	0.0	-69.80	416.85	9.00	-60.80
CC1CC[NH+](CCCCNC(=O)NCCCCC(=O)[O-])CC1	REAL300013837844	0	53	0.0	-76.74	402.38	7.55	-69.19
CC1CC[NH+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013837845	0	54	0.0	-77.50	418.64	8.86	-68.64
CC1CC[NH+](CCCCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013837846	0	56	0.0	-75.51	423.88	8.33	-67.18
CC1CC[NH+](CCCCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013837847	0	53	0.0	-76.89	394.24	7.44	-69.45
CC1CC[NH+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013837848	0	54	0.0	-76.05	401.73	8.83	-67.22
CC1CC[NH+](CCCCNC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013837849	0	57	0.0	-79.35	416.21	9.83	-69.52
CC1CC[NH+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013837850	0	57	0.0	-75.65	408.80	9.56	-66.09
CC1CC[NH+](CCCCNC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013837851	0	57	0.0	-78.78	410.78	9.69	-69.09
CC1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013837852	0	58	0.0	-67.44	420.96	6.94	-60.50
CC1CC[NH+](CCCCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013837853	0	56	0.0	-72.47	413.58	7.64	-64.83
CCC(CC)(CNC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013837854	0	59	0.0	-66.19	423.82	8.78	-57.41
CC(C)C(CNC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013837855	0	56	0.0	-68.61	416.67	7.91	-60.70
CC(NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013837856	0	63	0.0	-78.90	453.71	9.33	-69.57
CC1CC[NH+](CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013837857	0	60	0.0	-67.32	445.84	10.29	-57.03
CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013837858	0	54	0.0	-69.41	402.74	8.05	-61.36
CC1CC[NH+](CCCCNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013837859	0	60	0.0	-75.22	435.39	10.71	-64.51
CC1CC[NH+](CCCCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013837860	0	56	0.0	-76.49	413.05	7.42	-69.07
CC1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013837861	0	57	0.0	-67.49	419.34	8.82	-58.67
CC1CC[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013837862	0	57	0.0	-72.46	407.96	9.97	-62.49
CC1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013837863	0	54	0.0	-65.71	402.26	7.97	-57.74
CC1CC[NH+](CCCCNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013837864	0	57	0.0	-76.04	426.38	8.75	-67.29
CC1CC[NH+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013837865	0	57	0.0	-75.65	408.80	9.56	-66.09
CC(C)C[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)CC(=O)[O-]	REAL300013837866	0	62	0.0	-69.43	452.79	9.38	-60.05
CC1CC[NH+](CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013837867	0	54	0.0	-73.19	412.26	8.97	-64.22
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)C1	REAL300013837868	0	58	0.0	-78.40	432.60	7.95	-70.45
CC1CC[NH+](CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013837869	0	51	0.0	-72.14	386.77	7.36	-64.78
CC1CC[NH+](CCCCNC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013837870	0	59	0.0	-74.23	434.38	6.41	-67.82
CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013837871	0	54	0.0	-62.15	395.28	9.25	-52.90
CC1CC[NH+](CCCCNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013837872	0	54	0.0	-63.61	396.51	9.31	-54.30
CC1CC[NH+](CCCCNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013837873	0	51	0.0	-72.15	386.35	7.33	-64.82
CC1CC[NH+](CCCCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013837874	0	51	0.0	-73.91	386.32	7.41	-66.50
CC1CC[NH+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013837875	0	54	0.0	-77.50	418.64	8.86	-68.64
CCC(CNC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013837876	0	53	0.0	-68.09	399.88	7.43	-60.66
CC1CC[NH+](CCCCNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013837877	0	60	0.0	-81.83	429.27	10.64	-71.19
CC1CC[NH+](CCCCNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013837878	0	62	0.0	-77.59	466.87	9.89	-67.70
CC1CC[NH+](CCCCNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013837879	0	59	0.0	-78.27	445.37	9.11	-69.16
CC1CC[NH+](CCCCNC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013837880	0	53	0.0	-76.95	398.51	9.16	-67.79
CC1CC[NH+](CCCCNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013837881	0	57	0.0	-79.89	410.21	10.01	-69.88
COCC1(C(=O)[O-])CCCN(C(=O)NCCCC[NH+]2CCC(C)CC2)C1	REAL300013837882	0	61	0.0	-84.20	442.39	9.15	-75.05
COCCN(CCC(=O)[O-])C(=O)NCCCC[NH+]1CCC(C)CC1	REAL300013837883	0	57	0.0	-61.70	430.19	8.52	-53.18
CC1CC[NH+](CCCCNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013837884	0	60	0.0	-79.17	435.73	10.70	-68.47
CC1CC[NH+](CCCCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013837885	0	58	0.0	-80.21	428.72	11.76	-68.45
CC1CC[NH+](CCCCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013837886	0	55	0.0	-69.41	407.88	8.01	-61.40
CC1CC[NH+](CCCCNC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013837887	0	57	0.0	-62.44	410.78	9.82	-52.62
CC1CC[NH+](CCCCNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013837888	0	61	0.0	-68.31	458.03	11.86	-56.45
CC1CC[NH+](CCCCNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013837889	0	55	0.0	-76.67	405.00	6.82	-69.85
CC1CC[NH+](CCCCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013837890	0	58	0.0	-75.48	441.32	10.10	-65.38
CC1CC[NH+](CCCCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013837891	0	61	0.0	-87.10	446.95	9.09	-78.01
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1	REAL300013837892	0	61	0.0	-76.31	440.16	8.66	-67.65
CC1CC[NH+](CCCCNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013837893	0	52	0.0	-78.35	396.09	7.55	-70.80
CC1CC[NH+](CCCCNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013837894	0	63	0.0	-68.94	441.99	9.55	-59.39
CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013837895	0	57	0.0	-69.69	415.99	8.97	-60.72
CC1CC[NH+](CCCCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013837896	0	60	0.0	-77.28	441.03	9.28	-68.00
CC1CC[NH+](CCCCNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013837897	0	57	0.0	-69.15	413.08	9.93	-59.22
CC1CC[NH+](CCCCNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013837898	0	58	0.0	-77.62	429.62	9.32	-68.30
CC1CC[NH+](CCCCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013837899	0	57	0.0	-73.27	421.73	8.59	-64.68
CC1CC[NH+](CCCCNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013837900	0	57	0.0	-73.00	420.75	8.55	-64.45
CC1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013837901	0	58	0.0	-70.46	426.09	7.40	-63.06
CC1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013837902	0	55	0.0	-66.56	408.02	6.10	-60.46
CC1CC[NH+](CCCCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013837903	0	52	0.0	-72.81	398.29	8.07	-64.74
CC1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013837904	0	51	0.0	-63.79	386.16	7.60	-56.19
CC1CC[NH+](CCCCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013837905	0	58	0.0	-67.96	424.34	10.08	-57.88
CC1CC[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013837906	0	54	0.0	-69.63	415.37	9.10	-60.53
CC1CC[NH+](CCCCNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013837907	0	55	0.0	-80.00	403.24	8.49	-71.51
COC1CC(C(=O)[O-])CN(C(=O)NCCCC[NH+]2CCC(C)CC2)C1	REAL300013837908	0	58	0.0	-63.10	428.17	8.26	-54.84
CC1CC[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013837909	0	51	0.0	-75.23	382.00	8.34	-66.89
CC1CC[NH+](CCCCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013837910	0	52	0.0	-78.09	397.24	8.09	-70.00
CC(CCC(=O)[O-])NC(=O)NCCCC[NH+]1CCC(C)CC1	REAL300013837911	0	53	0.0	-70.01	400.63	7.78	-62.23
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013837912	0	54	0.0	-73.06	385.62	8.90	-64.16
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013837912	1	54	0.0	-71.82	385.56	8.87	-62.95
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013837913	0	54	0.0	-74.67	414.93	8.76	-65.91
CC1CCCC[N@H+]1CCCCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013837913	1	54	0.0	-74.70	414.92	8.76	-65.94
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013837914	0	52	0.0	-62.92	383.93	7.58	-55.34
CC1CCCC[N@H+]1CCCCNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013837914	1	52	0.0	-62.62	383.99	7.61	-55.01
CC1CCCC[N@@H+]1CCCCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013837915	0	57	0.0	-67.22	411.81	8.82	-58.40
CC1CCCC[N@H+]1CCCCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013837915	1	57	0.0	-76.06	409.53	8.12	-67.94
CC1CCCC[N@@H+]1CCCCNC(=O)NCCCCC(=O)[O-]	REAL300013837916	0	53	0.0	-74.06	398.66	7.44	-66.62
CC1CCCC[N@H+]1CCCCNC(=O)NCCCCC(=O)[O-]	REAL300013837916	1	53	0.0	-74.62	391.92	7.12	-67.50
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013837917	0	54	0.0	-75.09	414.93	8.75	-66.34
CC1CCCC[N@H+]1CCCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013837917	1	54	0.0	-75.56	408.21	8.45	-67.11
CC1CCCC[N@@H+]1CCCCNC(=O)NCCCCCC(=O)[O-]	REAL300013837918	0	56	0.0	-72.90	420.16	8.22	-64.68
CC1CCCC[N@H+]1CCCCNC(=O)NCCCCCC(=O)[O-]	REAL300013837918	1	56	0.0	-73.53	413.41	7.91	-65.62
CC1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013837919	0	53	0.0	-74.23	390.52	7.32	-66.91
CC1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013837919	1	53	0.0	-74.76	383.77	7.02	-67.74
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013837920	0	54	0.0	-76.25	395.02	8.77	-67.48
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013837920	1	54	0.0	-71.13	395.26	8.76	-62.37
CC1CC(C(=O)[O-])CN(C(=O)NCCCC[N@@H+]2CCCCC2C)C1	REAL300013837921	0	57	0.0	-61.62	401.77	9.70	-51.92
CC1CC(C(=O)[O-])CN(C(=O)NCCCC[N@H+]2CCCCC2C)C1	REAL300013837921	1	57	0.0	-60.39	412.65	9.73	-50.66
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013837922	0	57	0.0	-73.33	397.54	9.07	-64.26
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013837922	1	57	0.0	-73.26	397.54	9.07	-64.19
CC1CCN(C(=O)NCCCC[N@@H+]2CCCCC2C)CC1C(=O)[O-]	REAL300013837923	0	57	0.0	-76.70	401.43	9.38	-67.32
CC1CCN(C(=O)NCCCC[N@H+]2CCCCC2C)CC1C(=O)[O-]	REAL300013837923	1	57	0.0	-59.70	401.42	9.36	-50.34
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013837924	0	58	0.0	-64.85	417.25	6.82	-58.03
CC1CCCC[N@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013837924	1	58	0.0	-65.39	410.49	6.50	-58.89
CC1CCCC[N@@H+]1CCCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013837925	0	56	0.0	-69.92	410.45	7.54	-62.38
CC1CCCC[N@H+]1CCCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013837925	1	56	0.0	-70.43	403.70	7.24	-63.19
CCC(CC)(CNC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300013837926	0	59	0.0	-63.74	411.30	8.19	-55.55
CCC(CC)(CNC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300013837926	1	59	0.0	-63.13	418.05	8.50	-54.63
CC(C)C(CNC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300013837927	0	56	0.0	-66.70	406.20	7.50	-59.20
CC(C)C(CNC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300013837927	1	56	0.0	-63.74	407.69	7.91	-55.83
CC(NC(=O)NCCCC[N@@H+]1CCCCC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013837928	0	63	0.0	-76.78	446.85	9.09	-67.69
CC(NC(=O)NCCCC[N@H+]1CCCCC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013837928	1	63	0.0	-76.14	453.56	9.39	-66.75
CC1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013837929	0	60	0.0	-64.86	442.13	10.18	-54.68
CC1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013837929	1	60	0.0	-65.44	435.38	9.86	-55.58
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013837930	0	54	0.0	-66.95	398.57	7.91	-59.04
CC1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013837930	1	54	0.0	-67.51	391.84	7.60	-59.91
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013837931	0	60	0.0	-73.28	424.93	10.29	-62.99
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013837931	1	60	0.0	-72.40	424.91	10.27	-62.13
CC1CCCC[N@@H+]1CCCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013837932	0	56	0.0	-72.07	401.64	7.10	-64.97
CC1CCCC[N@H+]1CCCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013837932	1	56	0.0	-73.73	409.03	7.31	-66.42
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013837933	0	57	0.0	-65.09	415.67	8.70	-56.39
CC1CCCC[N@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013837933	1	57	0.0	-64.56	405.53	8.44	-56.12
CC1CN(C(=O)NCCCC[N@@H+]2CCCCC2C)CCC1C(=O)[O-]	REAL300013837934	0	57	0.0	-71.47	407.74	9.62	-61.85
CC1CN(C(=O)NCCCC[N@H+]2CCCCC2C)CCC1C(=O)[O-]	REAL300013837934	1	57	0.0	-71.21	406.03	9.93	-61.28
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013837935	0	54	0.0	-62.95	397.36	8.02	-54.93
CC1CCCC[N@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013837935	1	54	0.0	-63.52	390.65	7.71	-55.81
CC1CCCC[N@@H+]1CCCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013837936	0	57	0.0	-73.46	422.69	8.65	-64.81
CC1CCCC[N@H+]1CCCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013837936	1	57	0.0	-70.51	408.59	8.92	-61.59
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013837937	0	57	0.0	-73.33	397.54	9.07	-64.26
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013837937	1	57	0.0	-73.26	397.54	9.07	-64.19
CC(C)C[C@H](CNC(=O)NCCCC[N@@H+]1CCCCC1C)CC(=O)[O-]	REAL300013837938	0	62	0.0	-67.55	442.32	8.95	-58.60
CC(C)C[C@H](CNC(=O)NCCCC[N@H+]1CCCCC1C)CC(=O)[O-]	REAL300013837938	1	62	0.0	-71.09	443.67	9.04	-62.05
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013837939	0	54	0.0	-70.40	408.55	8.86	-61.54
CC1CCCC[N@H+]1CCCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013837939	1	54	0.0	-71.10	401.78	8.55	-62.55
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[N@@H+]2CCCCC2C)C1	REAL300013837940	0	58	0.0	-76.55	427.85	8.67	-67.88
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[N@H+]2CCCCC2C)C1	REAL300013837940	1	58	0.0	-76.79	427.85	8.67	-68.12
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013837941	0	51	0.0	-69.60	382.64	7.22	-62.38
CC1CCCC[N@H+]1CCCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013837941	1	51	0.0	-69.61	382.61	7.23	-62.38
CC1CCCC[N@@H+]1CCCCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013837942	0	59	0.0	-73.87	430.21	6.25	-67.62
CC1CCCC[N@H+]1CCCCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013837942	1	59	0.0	-71.50	430.66	6.30	-65.20
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013837943	0	54	0.0	-60.38	384.38	8.81	-51.57
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013837943	1	54	0.0	-60.12	391.16	9.14	-50.98
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013837944	0	54	0.0	-77.53	385.57	8.86	-68.67
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013837944	1	54	0.0	-76.98	392.31	9.17	-67.81
CC1CCCC[N@@H+]1CCCCNC(=O)NC1CC(C(=O)[O-])C1	REAL300013837945	0	51	0.0	-71.19	382.48	7.27	-63.92
CC1CCCC[N@H+]1CCCCNC(=O)NC1CC(C(=O)[O-])C1	REAL300013837945	1	51	0.0	-70.11	375.84	6.91	-63.20
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013837946	0	51	0.0	-71.14	382.47	7.27	-63.87
CC1CCCC[N@H+]1CCCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013837946	1	51	0.0	-71.15	382.45	7.27	-63.88
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013837947	0	54	0.0	-75.09	414.93	8.75	-66.34
CC1CCCC[N@H+]1CCCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013837947	1	54	0.0	-75.56	408.21	8.45	-67.11
CCC(CNC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300013837948	0	53	0.0	-62.77	383.64	7.09	-55.68
CCC(CNC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300013837948	1	53	0.0	-63.44	391.15	7.43	-56.01
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013837949	0	60	0.0	-78.94	425.44	10.54	-68.40
CC1CCCC[N@H+]1CCCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013837949	1	60	0.0	-79.49	418.62	10.21	-69.28
CC1CCCC[N@@H+]1CCCCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013837950	0	62	0.0	-74.97	463.16	9.78	-65.19
CC1CCCC[N@H+]1CCCCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013837950	1	62	0.0	-75.51	456.41	9.47	-66.04
CC1CCCC[N@@H+]1CCCCNC(=O)NCCCCCCC(=O)[O-]	REAL300013837951	0	59	0.0	-75.71	441.66	9.00	-66.71
CC1CCCC[N@H+]1CCCCNC(=O)NCCCCCCC(=O)[O-]	REAL300013837951	1	59	0.0	-76.30	434.91	8.69	-67.61
CC1CCCC[N@@H+]1CCCCNC(=O)N(C)CCCC(=O)[O-]	REAL300013837952	0	53	0.0	-74.38	394.79	9.05	-65.33
CC1CCCC[N@H+]1CCCCNC(=O)N(C)CCCC(=O)[O-]	REAL300013837952	1	53	0.0	-74.82	388.04	8.74	-66.08
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013837953	0	57	0.0	-60.43	406.93	9.87	-50.56
CC1CCCC[N@H+]1CCCCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013837953	1	57	0.0	-77.24	406.94	9.88	-67.36
COCC1(C(=O)[O-])CCCN(C(=O)NCCCC[N@@H+]2CCCCC2C)C1	REAL300013837954	0	61	0.0	-81.60	438.68	9.04	-72.56
COCC1(C(=O)[O-])CCCN(C(=O)NCCCC[N@H+]2CCCCC2C)C1	REAL300013837954	1	61	0.0	-63.10	438.93	9.04	-54.06
COCCN(CCC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300013837955	0	57	0.0	-59.80	419.72	8.10	-51.70
COCCN(CCC(=O)[O-])C(=O)NCCCC[N@H+]1CCCCC1C	REAL300013837955	1	57	0.0	-59.27	426.47	8.41	-50.86
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013837956	0	60	0.0	-76.60	432.01	10.57	-66.03
CC1CCCC[N@H+]1CCCCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013837956	1	60	0.0	-76.45	431.97	10.58	-65.87
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013837957	0	58	0.0	-83.25	427.54	11.18	-72.07
CC1CCCC[N@H+]1CCCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013837957	1	58	0.0	-80.13	425.33	11.10	-69.03
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013837958	0	55	0.0	-69.84	397.01	7.51	-62.33
CC1CCCC[N@H+]1CCCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013837958	1	55	0.0	-69.77	397.01	7.52	-62.25
CC1CCC(C(=O)[O-])CN1C(=O)NCCCC[N@@H+]1CCCCC1C	REAL300013837959	0	57	0.0	-59.98	399.56	9.44	-50.54
CC1CCC(C(=O)[O-])CN1C(=O)NCCCC[N@H+]1CCCCC1C	REAL300013837959	1	57	0.0	-59.46	406.27	9.74	-49.72
CC1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013837960	0	61	0.0	-65.83	454.38	11.76	-54.07
CC1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013837960	1	61	0.0	-65.34	445.91	11.40	-53.94
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013837961	0	55	0.0	-74.39	401.24	6.70	-67.69
CC1CCCC[N@H+]1CCCCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013837961	1	55	0.0	-74.44	401.21	6.69	-67.75
CC1CCCC[N@@H+]1CCCCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013837962	0	58	0.0	-70.22	432.88	9.82	-60.40
CC1CCCC[N@H+]1CCCCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013837962	1	58	0.0	-70.78	425.48	9.46	-61.32
CC1CCCC[N@@H+]1CCCCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013837963	0	61	0.0	-85.12	436.50	8.68	-76.44
CC1CCCC[N@H+]1CCCCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013837963	1	61	0.0	-84.74	436.53	8.67	-76.07
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[N@@H+]2CCCCC2C)CC1	REAL300013837964	0	61	0.0	-75.56	428.52	9.01	-66.55
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[N@H+]2CCCCC2C)CC1	REAL300013837964	1	61	0.0	-77.02	429.73	8.25	-68.77
CC1CCCC[N@@H+]1CCCCNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013837965	0	52	0.0	-75.74	392.37	7.45	-68.29
CC1CCCC[N@H+]1CCCCNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013837965	1	52	0.0	-76.29	385.63	7.14	-69.15
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013837966	0	63	0.0	-70.90	431.82	9.13	-61.77
CC1CCCC[N@H+]1CCCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013837966	1	63	0.0	-69.89	431.89	9.10	-60.79
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013837967	0	57	0.0	-67.20	411.82	8.84	-58.36
CC1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013837967	1	57	0.0	-67.74	405.06	8.52	-59.22
CC1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013837968	0	60	0.0	-75.26	430.59	8.86	-66.40
CC1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013837968	1	60	0.0	-75.26	430.57	8.86	-66.40
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013837969	0	57	0.0	-67.32	402.61	9.51	-57.81
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013837969	1	57	0.0	-66.86	402.59	9.49	-57.37
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013837970	0	58	0.0	-75.64	419.15	8.89	-66.75
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013837970	1	58	0.0	-74.63	419.17	8.91	-65.72
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013837971	0	57	0.0	-70.42	417.04	8.44	-61.98
CC1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013837971	1	57	0.0	-70.46	417.04	8.44	-62.02
CC1CCCC[N@@H+]1CCCCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013837972	0	57	0.0	-70.12	416.24	8.43	-61.69
CC1CCCC[N@H+]1CCCCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013837972	1	57	0.0	-68.57	405.89	8.55	-60.02
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013837973	0	58	0.0	-62.17	418.08	6.91	-55.26
CC1CCCC[N@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013837973	1	58	0.0	-62.62	411.37	6.60	-56.02
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013837974	0	55	0.0	-65.25	406.83	6.15	-59.10
CC1CCCC[N@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013837974	1	55	0.0	-64.70	397.95	5.87	-58.83
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013837975	0	52	0.0	-70.95	387.37	7.63	-63.32
CC1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013837975	1	52	0.0	-70.89	387.39	7.64	-63.25
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CC1	REAL300013837976	0	51	0.0	-61.30	382.45	7.48	-53.82
CC1CCCC[N@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CC1	REAL300013837976	1	51	0.0	-62.61	376.07	7.28	-55.33
CC1CCCC[N@@H+]1CCCCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013837977	0	58	0.0	-62.87	417.29	9.85	-53.02
CC1CCCC[N@H+]1CCCCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013837977	1	58	0.0	-63.03	417.29	9.85	-53.18
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013837978	0	54	0.0	-70.85	410.52	9.04	-61.81
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013837978	1	54	0.0	-67.21	404.45	8.62	-58.59
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013837979	0	55	0.0	-77.49	399.51	8.39	-69.10
CC1CCCC[N@H+]1CCCCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013837979	1	55	0.0	-77.32	399.50	8.38	-68.94
COC1CC(C(=O)[O-])CN(C(=O)NCCCC[N@@H+]2CCCCC2C)C1	REAL300013837980	0	58	0.0	-62.92	415.96	7.91	-55.01
COC1CC(C(=O)[O-])CN(C(=O)NCCCC[N@H+]2CCCCC2C)C1	REAL300013837980	1	58	0.0	-60.56	423.92	8.11	-52.45
CC1CCCC[N@@H+]1CCCCNC(=O)N1CCC(C(=O)[O-])C1	REAL300013837981	0	51	0.0	-72.15	377.96	8.23	-63.92
CC1CCCC[N@H+]1CCCCNC(=O)N1CCC(C(=O)[O-])C1	REAL300013837981	1	51	0.0	-72.16	377.95	8.23	-63.93
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013837982	0	52	0.0	-75.56	393.36	7.96	-67.60
CC1CCCC[N@H+]1CCCCNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013837982	1	52	0.0	-75.50	393.35	7.95	-67.55
CC(CCC(=O)[O-])NC(=O)NCCCC[N@@H+]1CCCCC1C	REAL300013837983	0	53	0.0	-67.99	390.17	7.36	-60.63
CC(CCC(=O)[O-])NC(=O)NCCCC[N@H+]1CCCCC1C	REAL300013837983	1	53	0.0	-67.39	396.92	7.67	-59.72
CC1CCC[N@H+](CCCCNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013837984	0	54	0.0	-73.93	389.81	9.34	-64.59
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013837984	1	54	0.0	-73.30	396.48	9.30	-64.00
CC1CCC[N@H+](CCCCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013837985	0	54	0.0	-76.73	419.09	8.87	-67.86
CC1CCC[N@@H+](CCCCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013837985	1	54	0.0	-76.21	412.36	8.89	-67.32
CC1CCC[N@H+](CCCCNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013837986	0	52	0.0	-78.60	388.16	7.70	-70.90
CC1CCC[N@@H+](CCCCNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013837986	1	52	0.0	-63.95	381.42	7.73	-56.22
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CC1CCC[N@@H+](CCCCNC(=O)NCCCCCC(=O)[O-])C1	REAL300013837990	1	56	0.0	-74.98	424.34	8.33	-66.65
CC1CCC[N@H+](CCCCNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013837991	0	53	0.0	-76.28	394.69	7.44	-68.84
CC1CCC[N@@H+](CCCCNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013837991	1	53	0.0	-76.34	395.28	7.43	-68.91
CC1CCC[N@H+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013837992	0	54	0.0	-76.88	399.68	8.82	-68.06
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013837992	1	54	0.0	-74.14	399.76	8.94	-65.20
CC1CCC[N@H+](CCCCNC(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300013837993	0	57	0.0	-61.65	410.10	9.84	-51.81
CC1CCC[N@@H+](CCCCNC(=O)N2CC(C)CC(C(=O)[O-])C2)C1	REAL300013837993	1	57	0.0	-61.70	410.08	9.84	-51.86
CC1CCC[N@H+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013837994	0	57	0.0	-74.19	401.73	9.51	-64.68
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013837994	1	57	0.0	-74.34	401.72	9.50	-64.84
CC1CCC[N@H+](CCCCNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013837995	0	57	0.0	-61.62	405.58	9.48	-52.14
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013837995	1	57	0.0	-60.99	398.85	9.49	-51.50
CC1CCC[N@H+](CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013837996	0	58	0.0	-66.90	421.41	6.92	-59.98
CC1CCC[N@@H+](CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013837996	1	58	0.0	-66.86	421.42	6.93	-59.93
CC1CCC[N@H+](CCCCNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013837997	0	56	0.0	-71.83	414.61	7.65	-64.18
CC1CCC[N@@H+](CCCCNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013837997	1	56	0.0	-71.64	407.88	7.69	-63.95
CCC(CC)(CNC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013837998	0	59	0.0	-65.63	424.28	8.78	-56.85
CCC(CC)(CNC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013837998	1	59	0.0	-65.65	424.26	8.78	-56.87
CC(C)C(CNC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013837999	0	56	0.0	-65.67	404.12	8.07	-57.60
CC(C)C(CNC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013837999	1	56	0.0	-68.07	417.11	7.91	-60.16
CC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013838000	0	63	0.0	-77.83	453.68	9.33	-68.50
CC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013838000	1	63	0.0	-77.79	451.01	9.51	-68.28
CC1CCC[N@H+](CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013838001	0	60	0.0	-66.78	446.29	10.29	-56.49
CC1CCC[N@@H+](CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013838001	1	60	0.0	-66.81	446.30	10.28	-56.53
CC1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013838002	0	54	0.0	-68.44	396.02	8.04	-60.40
CC1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013838002	1	54	0.0	-70.68	396.40	8.06	-62.62
CC1CCC[N@H+](CCCCNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013838003	0	60	0.0	-74.17	429.12	10.73	-63.44
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013838003	1	60	0.0	-73.85	435.79	10.69	-63.16
CC1CCC[N@H+](CCCCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013838004	0	56	0.0	-73.51	412.55	7.52	-65.99
CC1CCC[N@@H+](CCCCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013838004	1	56	0.0	-73.56	412.55	7.52	-66.04
CC1CCC[N@H+](CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013838005	0	57	0.0	-67.17	419.84	8.81	-58.36
CC1CCC[N@@H+](CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013838005	1	57	0.0	-65.87	410.06	9.05	-56.82
CC1CCC[N@H+](CCCCNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013838006	0	57	0.0	-73.21	410.19	10.04	-63.17
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013838006	1	57	0.0	-72.92	405.17	9.74	-63.18
CC1CCC[N@H+](CCCCNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013838007	0	54	0.0	-65.01	401.53	8.13	-56.88
CC1CCC[N@@H+](CCCCNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013838007	1	54	0.0	-64.53	394.79	8.14	-56.39
CC1CCC[N@H+](CCCCNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013838008	0	57	0.0	-75.50	426.84	8.76	-66.74
CC1CCC[N@@H+](CCCCNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013838008	1	57	0.0	-75.46	426.86	8.76	-66.70
CC1CCC[N@H+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013838009	0	57	0.0	-74.19	401.73	9.51	-64.68
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013838009	1	57	0.0	-74.34	401.72	9.50	-64.84
CC(C)C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013838010	0	62	0.0	-73.00	447.85	9.15	-63.85
CC(C)C[C@H](CNC(=O)NCCCC[N@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013838010	1	62	0.0	-68.94	453.24	9.36	-59.58
CC1CCC[N@H+](CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013838011	0	54	0.0	-72.55	412.70	8.97	-63.58
CC1CCC[N@@H+](CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013838011	1	54	0.0	-72.60	412.72	8.97	-63.63
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[N@@H+]2CCCC(C)C2)C1	REAL300013838012	0	58	0.0	-78.19	425.27	8.80	-69.39
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[N@H+]2CCCC(C)C2)C1	REAL300013838012	1	58	0.0	-79.96	434.53	7.99	-71.97
CC1CCC[N@H+](CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013838013	0	51	0.0	-71.54	386.41	7.33	-64.21
CC1CCC[N@@H+](CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013838013	1	51	0.0	-71.19	380.06	7.35	-63.84
CC1CCC[N@H+](CCCCNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013838014	0	59	0.0	-73.58	434.83	6.41	-67.17
CC1CCC[N@@H+](CCCCNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013838014	1	59	0.0	-73.09	428.09	6.43	-66.66
CC1CCC[N@H+](CCCCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013838015	0	54	0.0	-78.47	395.31	9.24	-69.23
CC1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013838015	1	54	0.0	-61.73	389.24	9.27	-52.46
CC1CCC[N@H+](CCCCNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013838016	0	54	0.0	-63.21	396.52	9.29	-53.92
CC1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013838016	1	54	0.0	-78.64	389.74	9.29	-69.35
CC1CCC[N@H+](CCCCNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013838017	0	51	0.0	-71.09	380.03	7.35	-63.74
CC1CCC[N@@H+](CCCCNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013838017	1	51	0.0	-71.61	386.77	7.34	-64.27
CC1CCC[N@H+](CCCCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013838018	0	51	0.0	-72.88	379.54	7.40	-65.48
CC1CCC[N@@H+](CCCCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013838018	1	51	0.0	-72.83	379.53	7.40	-65.43
CC1CCC[N@H+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013838019	0	54	0.0	-76.97	419.09	8.86	-68.11
CC1CCC[N@@H+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013838019	1	54	0.0	-76.42	412.36	8.88	-67.54
CCC(CNC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013838020	0	53	0.0	-65.39	395.32	7.54	-57.85
CCC(CNC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013838020	1	53	0.0	-67.54	400.33	7.43	-60.11
CC1CCC[N@H+](CCCCNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013838021	0	60	0.0	-80.97	429.50	10.63	-70.34
CC1CCC[N@@H+](CCCCNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013838021	1	60	0.0	-80.82	423.06	10.68	-70.14
CC1CCC[N@H+](CCCCNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013838022	0	62	0.0	-77.02	467.32	9.89	-67.13
CC1CCC[N@@H+](CCCCNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013838022	1	62	0.0	-77.01	467.33	9.89	-67.12
CC1CCC[N@H+](CCCCNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013838023	0	59	0.0	-77.72	445.82	9.11	-68.61
CC1CCC[N@@H+](CCCCNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013838023	1	59	0.0	-77.70	445.84	9.11	-68.59
CC1CCC[N@H+](CCCCNC(=O)N(C)CCCC(=O)[O-])C1	REAL300013838024	0	53	0.0	-76.34	398.95	9.16	-67.18
CC1CCC[N@@H+](CCCCNC(=O)N(C)CCCC(=O)[O-])C1	REAL300013838024	1	53	0.0	-76.31	398.97	9.16	-67.15
CC1CCC[N@H+](CCCCNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013838025	0	57	0.0	-79.52	411.09	9.98	-69.54
CC1CCC[N@@H+](CCCCNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013838025	1	57	0.0	-78.93	404.37	10.01	-68.92
COCC1(C(=O)[O-])CCCN(C(=O)NCCCC[N@@H+]2CCCC(C)C2)C1	REAL300013838026	0	61	0.0	-82.56	435.10	9.76	-72.80
COCC1(C(=O)[O-])CCCN(C(=O)NCCCC[N@H+]2CCCC(C)C2)C1	REAL300013838026	1	61	0.0	-83.15	436.39	9.17	-73.98
COCCN(CCC(=O)[O-])C(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300013838027	0	57	0.0	-61.09	430.65	8.52	-52.57
COCCN(CCC(=O)[O-])C(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300013838027	1	57	0.0	-61.19	430.64	8.52	-52.67
CC1CCC[N@H+](CCCCNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013838028	0	60	0.0	-78.33	429.43	10.70	-67.63
CC1CCC[N@@H+](CCCCNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013838028	1	60	0.0	-78.26	429.38	10.71	-67.55
CC1CCC[N@H+](CCCCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013838029	0	58	0.0	-82.28	429.51	11.21	-71.07
CC1CCC[N@@H+](CCCCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013838029	1	58	0.0	-84.12	424.76	11.29	-72.83
CC1CCC[N@H+](CCCCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013838030	0	55	0.0	-67.94	408.18	7.95	-59.99
CC1CCC[N@@H+](CCCCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013838030	1	55	0.0	-70.80	401.19	7.94	-62.86
CC1CCC[N@H+](CCCCNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013838031	0	57	0.0	-61.40	410.44	9.85	-51.55
CC1CCC[N@@H+](CCCCNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013838031	1	57	0.0	-61.48	404.97	9.84	-51.64
CC1CCC[N@H+](CCCCNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013838032	0	61	0.0	-67.27	451.81	11.88	-55.39
CC1CCC[N@@H+](CCCCNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013838032	1	61	0.0	-65.35	451.30	11.75	-53.60
CC1CCC[N@H+](CCCCNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013838033	0	55	0.0	-76.03	398.65	6.81	-69.22
CC1CCC[N@@H+](CCCCNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013838033	1	55	0.0	-75.64	398.63	6.81	-68.83
CC1CCC[N@H+](CCCCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013838034	0	58	0.0	-72.35	437.03	9.93	-62.42
CC1CCC[N@@H+](CCCCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013838034	1	58	0.0	-72.23	436.42	9.88	-62.35
CC1CCC[N@H+](CCCCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013838035	0	61	0.0	-86.43	447.38	9.09	-77.34
CC1CCC[N@@H+](CCCCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013838035	1	61	0.0	-86.04	440.65	9.11	-76.93
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[N@@H+]2CCCC(C)C2)CC1	REAL300013838036	0	61	0.0	-76.96	440.49	9.32	-67.64
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[N@H+]2CCCC(C)C2)CC1	REAL300013838036	1	61	0.0	-76.53	432.71	9.45	-67.08
CC1CCC[N@H+](CCCCNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013838037	0	52	0.0	-77.36	389.81	7.58	-69.78
CC1CCC[N@@H+](CCCCNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013838037	1	52	0.0	-77.36	389.80	7.58	-69.78
CC1CCC[N@H+](CCCCNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013838038	0	63	0.0	-70.77	436.03	9.54	-61.23
CC1CCC[N@@H+](CCCCNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013838038	1	63	0.0	-71.90	436.00	9.57	-62.33
CC1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013838039	0	57	0.0	-68.77	410.57	9.02	-59.75
CC1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013838039	1	57	0.0	-69.48	417.30	8.99	-60.49
CC1CCC[N@H+](CCCCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013838040	0	60	0.0	-76.76	441.48	9.28	-67.48
CC1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013838040	1	60	0.0	-76.19	434.74	9.30	-66.89
CC1CCC[N@H+](CCCCNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013838041	0	57	0.0	-68.20	406.80	9.95	-58.25
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013838041	1	57	0.0	-68.29	413.47	9.91	-58.38
CC1CCC[N@H+](CCCCNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013838042	0	58	0.0	-76.55	423.34	9.33	-67.22
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013838042	1	58	0.0	-76.09	430.08	9.33	-66.76
CC1CCC[N@H+](CCCCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013838043	0	57	0.0	-72.26	415.01	8.58	-63.68
CC1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013838043	1	57	0.0	-72.77	421.74	8.56	-64.21
CC1CCC[N@H+](CCCCNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013838044	0	57	0.0	-72.49	421.20	8.55	-63.94
CC1CCC[N@@H+](CCCCNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013838044	1	57	0.0	-72.11	420.42	8.54	-63.57
CC1CCC[N@H+](CCCCNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013838045	0	58	0.0	-64.07	422.24	7.02	-57.05
CC1CCC[N@@H+](CCCCNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013838045	1	58	0.0	-63.62	415.51	7.04	-56.58
CC1CCC[N@H+](CCCCNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013838046	0	55	0.0	-67.33	411.00	6.25	-61.08
CC1CCC[N@@H+](CCCCNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013838046	1	55	0.0	-66.83	404.26	6.28	-60.55
CC1CCC[N@H+](CCCCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013838047	0	52	0.0	-71.81	391.54	8.08	-63.73
CC1CCC[N@@H+](CCCCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013838047	1	52	0.0	-72.32	398.31	8.05	-64.27
CC1CCC[N@H+](CCCCNC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013838048	0	51	0.0	-63.96	386.98	7.71	-56.25
CC1CCC[N@@H+](CCCCNC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013838048	1	51	0.0	-63.45	380.24	7.72	-55.73
CC1CCC[N@H+](CCCCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013838049	0	58	0.0	-64.35	414.72	9.98	-54.37
CC1CCC[N@@H+](CCCCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013838049	1	58	0.0	-64.91	421.46	9.96	-54.95
CC1CCC[N@H+](CCCCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013838050	0	54	0.0	-72.95	414.65	9.14	-63.81
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013838050	1	54	0.0	-68.02	408.64	9.06	-58.96
CC1CCC[N@H+](CCCCNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013838051	0	55	0.0	-79.47	403.66	8.50	-70.97
CC1CCC[N@@H+](CCCCNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013838051	1	55	0.0	-79.57	403.67	8.50	-71.07
COC1CC(C(=O)[O-])CN(C(=O)NCCCC[N@@H+]2CCCC(C)C2)C1	REAL300013838052	0	58	0.0	-61.86	421.34	8.24	-53.62
COC1CC(C(=O)[O-])CN(C(=O)NCCCC[N@H+]2CCCC(C)C2)C1	REAL300013838052	1	58	0.0	-61.86	421.36	8.24	-53.62
CC1CCC[N@H+](CCCCNC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013838053	0	51	0.0	-74.64	382.45	8.35	-66.29
CC1CCC[N@@H+](CCCCNC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013838053	1	51	0.0	-74.23	382.12	8.34	-65.89
CC1CCC[N@H+](CCCCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013838054	0	52	0.0	-77.14	390.78	8.08	-69.06
CC1CCC[N@@H+](CCCCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013838054	1	52	0.0	-77.13	390.79	8.08	-69.05
CC(CCC(=O)[O-])NC(=O)NCCCC[N@@H+]1CCCC(C)C1	REAL300013838055	0	53	0.0	-69.39	401.09	7.78	-61.61
CC(CCC(=O)[O-])NC(=O)NCCCC[N@H+]1CCCC(C)C1	REAL300013838055	1	53	0.0	-69.41	401.08	7.78	-61.63
CCN1CC[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013838056	0	56	0.0	-74.28	408.76	6.86	-67.42
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013838056	1	56	0.0	-72.63	408.26	6.84	-65.79
CCN1CC[NH+](CCCCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013838057	0	56	0.0	-77.75	432.85	6.51	-71.24
CC[NH+]1CCN(CCCCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013838057	1	56	0.0	-75.38	432.35	6.49	-68.89
CCN1CC[NH+](CCCCNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013838058	0	54	0.0	-65.51	401.89	5.34	-60.17
CC[NH+]1CCN(CCCCNC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013838058	1	54	0.0	-65.65	401.39	5.31	-60.34
CCN1CC[NH+](CCCCNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013838059	0	59	0.0	-70.37	431.06	6.63	-63.74
CC[NH+]1CCN(CCCCNC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013838059	1	59	0.0	-69.73	429.23	6.56	-63.17
CCN1CC[NH+](CCCCNC(=O)NCCCCC(=O)[O-])CC1	REAL300013838060	0	55	0.0	-77.12	416.59	5.18	-71.94
CC[NH+]1CCN(CCCCNC(=O)NCCCCC(=O)[O-])CC1	REAL300013838060	1	55	0.0	-74.78	416.09	5.16	-69.62
CCN1CC[NH+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013838061	0	56	0.0	-77.92	432.86	6.50	-71.42
CC[NH+]1CCN(CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013838061	1	56	0.0	-75.51	431.69	6.36	-69.15
CCN1CC[NH+](CCCCNC(=O)NCCC(=O)[O-])CC1	REAL300013838062	0	49	0.0	-74.34	373.59	3.61	-70.73
CC[NH+]1CCN(CCCCNC(=O)NCCC(=O)[O-])CC1	REAL300013838062	1	49	0.0	-72.49	373.09	3.59	-68.90
CCN1CC[NH+](CCCCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013838063	0	58	0.0	-75.96	438.09	5.96	-70.00
CC[NH+]1CCN(CCCCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013838063	1	58	0.0	-73.72	437.58	5.94	-67.78
CCN1CC[NH+](CCCCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013838064	0	55	0.0	-77.25	409.03	5.06	-72.19
CC[NH+]1CCN(CCCCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013838064	1	55	0.0	-74.95	407.94	5.06	-69.89
CCN1CC[NH+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013838065	0	56	0.0	-79.62	412.38	6.48	-73.14
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013838065	1	56	0.0	-77.71	412.59	6.50	-71.21
CCN1CC[NH+](CCCCNC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013838066	0	59	0.0	-63.21	425.73	7.70	-55.51
CC[NH+]1CCN(CCCCNC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013838066	1	59	0.0	-63.28	428.77	7.32	-55.96
CCN1CC[NH+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013838067	0	59	0.0	-76.18	423.01	7.19	-68.99
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013838067	1	59	0.0	-73.72	422.51	7.16	-66.56
CCN1CC[NH+](CCCCNC(=O)NCCCC(=O)[O-])CC1	REAL300013838068	0	52	0.0	-72.02	395.09	4.40	-67.62
CC[NH+]1CCN(CCCCNC(=O)NCCCC(=O)[O-])CC1	REAL300013838068	1	52	0.0	-70.30	394.59	4.38	-65.92
CCN1CC[NH+](CCCCNC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013838069	0	59	0.0	-64.61	428.62	7.42	-57.19
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013838069	1	59	0.0	-76.60	424.50	7.30	-69.30
CCN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013838070	0	60	0.0	-67.70	435.18	4.57	-63.13
CC[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013838070	1	60	0.0	-65.86	435.67	4.35	-61.51
CCN1CC[NH+](CCCCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013838071	0	58	0.0	-72.94	427.79	5.27	-67.67
CC[NH+]1CCN(CCCCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013838071	1	58	0.0	-70.89	427.87	5.27	-65.62
CCN1CC[NH+](CCCCNC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013838072	0	61	0.0	-68.32	440.68	6.09	-62.23
CC[NH+]1CCN(CCCCNC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013838072	1	61	0.0	-68.64	440.18	6.06	-62.58
CCN1CC[NH+](CCCCNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013838073	0	52	0.0	-75.34	391.26	4.35	-70.99
CC[NH+]1CCN(CCCCNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013838073	1	52	0.0	-73.70	391.63	4.34	-69.36
CCN1CC[NH+](CCCCNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013838074	0	58	0.0	-67.04	424.62	5.69	-61.35
CC[NH+]1CCN(CCCCNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013838074	1	58	0.0	-67.34	424.12	5.66	-61.68
CCN1CC[NH+](CCCCNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013838075	0	65	0.0	-79.18	471.14	7.44	-71.74
CC[NH+]1CCN(CCCCNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013838075	1	65	0.0	-77.06	467.92	6.98	-70.08
CCN1CC[NH+](CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013838076	0	62	0.0	-67.60	460.05	7.92	-59.68
CC[NH+]1CCN(CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013838076	1	62	0.0	-67.94	458.89	7.78	-60.16
CCN1CC[NH+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013838077	0	56	0.0	-69.88	416.50	5.66	-64.22
CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013838077	1	56	0.0	-68.57	416.00	5.63	-62.94
CCN1CC[NH+](CCCCNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013838078	0	62	0.0	-75.74	449.60	8.35	-67.39
CC[NH+]1CCN(CCCCNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013838078	1	62	0.0	-73.85	449.10	8.31	-65.54
CCN1CC[NH+](CCCCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013838079	0	58	0.0	-77.00	426.76	5.02	-71.98
CC[NH+]1CCN(CCCCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013838079	1	58	0.0	-75.23	426.76	5.03	-70.20
CCN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013838080	0	59	0.0	-67.82	433.55	6.45	-61.37
CC[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013838080	1	59	0.0	-67.25	432.39	6.31	-60.94
CCN1CC[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013838081	0	59	0.0	-73.97	422.27	7.61	-66.36
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013838081	1	59	0.0	-70.67	421.66	7.58	-63.09
CCN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013838082	0	56	0.0	-65.95	416.48	5.61	-60.34
CC[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013838082	1	56	0.0	-66.37	415.98	5.58	-60.79
CCN1CC[NH+](CCCCNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013838083	0	59	0.0	-76.42	440.60	6.38	-70.04
CC[NH+]1CCN(CCCCNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013838083	1	59	0.0	-74.59	440.09	6.35	-68.24
CCN1CC[NH+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013838084	0	59	0.0	-76.18	423.01	7.19	-68.99
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013838084	1	59	0.0	-73.72	422.51	7.16	-66.56
CCN1CC[NH+](CCCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013838085	0	64	0.0	-74.13	461.60	6.78	-67.35
CC[NH+]1CCN(CCCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013838085	1	64	0.0	-68.60	465.84	6.88	-61.72
CCN1CC[NH+](CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013838086	0	56	0.0	-73.46	426.48	6.61	-66.85
CC[NH+]1CCN(CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013838086	1	56	0.0	-74.55	425.96	6.59	-67.96
CCN1CC[NH+](CCCCNC(=O)N2CCC(COC)(C(=O)[O-])C2)CC1	REAL300013838087	0	60	0.0	-78.90	446.80	5.58	-73.32
CC[NH+]1CCN(CCCCNC(=O)N2CCC(COC)(C(=O)[O-])C2)CC1	REAL300013838087	1	60	0.0	-77.10	446.30	5.55	-71.55
CCN1CC[NH+](CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013838088	0	53	0.0	-72.56	400.18	4.97	-67.59
CC[NH+]1CCN(CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013838088	1	53	0.0	-70.96	400.04	4.94	-66.02
CCN1CC[NH+](CCCCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013838090	0	56	0.0	-62.62	409.03	6.86	-55.76
CC[NH+]1CCN(CCCCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013838090	1	56	0.0	-63.37	408.53	6.83	-56.54
CCN1CC[NH+](CCCCNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013838091	0	56	0.0	-79.65	409.59	6.90	-72.75
CC[NH+]1CCN(CCCCNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013838091	1	56	0.0	-64.41	409.77	6.89	-57.52
CCN1CC[NH+](CCCCNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013838092	0	53	0.0	-72.58	400.17	4.97	-67.61
CC[NH+]1CCN(CCCCNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013838092	1	53	0.0	-70.34	399.40	4.83	-65.51
CCN1CC[NH+](CCCCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013838093	0	53	0.0	-74.29	400.10	5.02	-69.27
CC[NH+]1CCN(CCCCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013838093	1	53	0.0	-72.19	400.03	5.03	-67.16
CCN1CC[NH+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013838094	0	56	0.0	-77.92	432.86	6.50	-71.42
CC[NH+]1CCN(CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013838094	1	56	0.0	-75.51	431.69	6.36	-69.15
CCC(CNC(=O)NCCCC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300013838095	0	55	0.0	-68.47	414.09	5.07	-63.40
CCC(CNC(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300013838095	1	55	0.0	-66.84	408.67	5.26	-61.58
CCN1CC[NH+](CCCCNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013838096	0	62	0.0	-82.38	442.95	8.28	-74.10
CC[NH+]1CCN(CCCCNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013838096	1	62	0.0	-81.44	442.43	8.24	-73.20
CCN1CC[NH+](CCCCNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013838097	0	64	0.0	-78.02	481.08	7.53	-70.49
CC[NH+]1CCN(CCCCNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013838097	1	64	0.0	-75.46	480.58	7.51	-67.95
CCN1CC[NH+](CCCCNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013838098	0	61	0.0	-78.75	459.58	6.75	-72.00
CC[NH+]1CCN(CCCCNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013838098	1	61	0.0	-76.21	459.08	6.72	-69.49
CCN1CC[NH+](CCCCNC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013838099	0	55	0.0	-77.10	412.72	6.81	-70.29
CC[NH+]1CCN(CCCCNC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013838099	1	55	0.0	-75.41	412.22	6.77	-68.64
CCN1CC[NH+](CCCCNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013838100	0	59	0.0	-80.20	424.42	7.65	-72.55
CC[NH+]1CCN(CCCCNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013838100	1	59	0.0	-77.50	423.92	7.62	-69.88
CCN1CC[NH+](CCCCNC(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300013838101	0	63	0.0	-83.41	455.95	7.42	-75.99
CC[NH+]1CCN(CCCCNC(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300013838101	1	63	0.0	-80.69	455.45	7.39	-73.30
CCN1CC[NH+](CCCCNC(=O)N(CCOC)CCC(=O)[O-])CC1	REAL300013838102	0	59	0.0	-62.19	444.40	6.15	-56.04
CC[NH+]1CCN(CCCCNC(=O)N(CCOC)CCC(=O)[O-])CC1	REAL300013838102	1	59	0.0	-63.88	443.90	6.12	-57.76
CCN1CC[NH+](CCCCNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013838103	0	62	0.0	-79.58	449.91	8.32	-71.26
CC[NH+]1CCN(CCCCNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013838103	1	62	0.0	-76.98	449.45	8.31	-68.67
CCN1CC[NH+](CCCCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013838104	0	60	0.0	-82.45	442.20	9.65	-72.80
CC[NH+]1CCN(CCCCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013838104	1	60	0.0	-81.33	441.68	9.61	-71.72
CCN1CC[NH+](CCCCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013838105	0	57	0.0	-69.79	422.10	5.65	-64.14
CC[NH+]1CCN(CCCCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013838105	1	57	0.0	-67.74	421.59	5.62	-62.12
CCN1CC[NH+](CCCCNC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013838106	0	59	0.0	-64.04	426.21	7.50	-56.54
CC[NH+]1CCN(CCCCNC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013838106	1	59	0.0	-63.43	424.31	7.45	-55.98
CCN1CC[NH+](CCCCNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013838107	0	57	0.0	-77.11	419.17	4.45	-72.66
CC[NH+]1CCN(CCCCNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013838107	1	57	0.0	-74.85	418.67	4.42	-70.43
CCN1CC[NH+](CCCCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013838108	0	60	0.0	-74.32	453.23	7.65	-66.67
CC[NH+]1CCN(CCCCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013838108	1	60	0.0	-72.32	452.73	7.62	-64.70
CCN1CC[NH+](CCCCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013838109	0	63	0.0	-87.01	461.17	6.73	-80.28
CC[NH+]1CCN(CCCCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013838109	1	63	0.0	-85.86	460.01	6.60	-79.26
CCN1CC[NH+](CCCCNC(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300013838110	0	63	0.0	-76.81	454.37	6.30	-70.51
CC[NH+]1CCN(CCCCNC(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300013838110	1	63	0.0	-76.49	453.24	6.17	-70.32
CCN1CC[NH+](CCCCNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013838111	0	54	0.0	-78.75	410.30	5.19	-73.56
CC[NH+]1CCN(CCCCNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013838111	1	54	0.0	-76.11	409.80	5.17	-70.94
CCN1CC[NH+](CCCCNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013838112	0	65	0.0	-69.38	456.21	7.19	-62.19
CC[NH+]1CCN(CCCCNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013838112	1	65	0.0	-67.71	455.71	7.15	-60.56
CCN1CC[NH+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013838113	0	59	0.0	-70.38	431.05	6.63	-63.75
CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013838113	1	59	0.0	-69.29	430.55	6.60	-62.69
CCN1CC[NH+](CCCCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013838114	0	62	0.0	-76.96	453.92	6.89	-70.07
CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013838114	1	62	0.0	-74.37	452.75	6.74	-67.63
CCN1CC[NH+](CCCCNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013838115	0	59	0.0	-76.74	427.30	7.55	-69.19
CC[NH+]1CCN(CCCCNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013838115	1	59	0.0	-68.34	426.79	7.54	-60.80
CCN1CC[NH+](CCCCNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013838116	0	60	0.0	-77.05	443.84	6.97	-70.08
CC[NH+]1CCN(CCCCNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013838116	1	60	0.0	-76.01	443.33	6.93	-69.08
CCN1CC[NH+](CCCCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013838117	0	59	0.0	-73.72	435.49	6.20	-67.52
CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013838117	1	59	0.0	-72.02	434.98	6.17	-65.85
CCN1CC[NH+](CCCCNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013838118	0	59	0.0	-73.43	434.96	6.19	-67.24
CC[NH+]1CCN(CCCCNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013838118	1	59	0.0	-69.41	430.55	6.59	-62.82
CCN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013838119	0	60	0.0	-70.92	440.30	5.04	-65.88
CC[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013838119	1	60	0.0	-66.66	436.93	4.73	-61.93
CCN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013838120	0	57	0.0	-66.98	422.24	3.74	-63.24
CC[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013838120	1	57	0.0	-66.51	421.73	3.70	-62.81
CCN1CC[NH+](CCCCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013838121	0	54	0.0	-73.27	410.55	5.57	-67.70
CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013838121	1	54	0.0	-72.12	411.72	5.71	-66.41
CCN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013838122	0	53	0.0	-64.14	400.38	5.24	-58.90
CC[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013838122	1	53	0.0	-64.62	399.87	5.21	-59.41
CCN1CC[NH+](CCCCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013838123	0	60	0.0	-68.29	438.57	7.72	-60.57
CC[NH+]1CCN(CCCCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013838123	1	60	0.0	-66.60	436.85	7.63	-58.97
CCN1CC[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013838124	0	56	0.0	-74.23	429.01	6.77	-67.46
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013838124	1	56	0.0	-68.37	429.09	6.71	-61.66
CCN1CC[NH+](CCCCNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013838125	0	57	0.0	-80.30	417.46	6.13	-74.17
CC[NH+]1CCN(CCCCNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013838125	1	57	0.0	-77.09	416.29	6.00	-71.09
CCN1CC[NH+](CCCCNC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013838126	0	50	0.0	-68.59	381.12	5.27	-63.32
CC[NH+]1CCN(CCCCNC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013838126	1	50	0.0	-67.03	380.62	5.23	-61.80
CCN1CC[NH+](CCCCNC(=O)N2CC(OC)CC(C(=O)[O-])C2)CC1	REAL300013838127	0	60	0.0	-65.19	440.64	5.97	-59.22
CC[NH+]1CCN(CCCCNC(=O)N2CC(OC)CC(C(=O)[O-])C2)CC1	REAL300013838127	1	60	0.0	-65.70	440.14	5.94	-59.76
CCN1CC[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013838128	0	53	0.0	-75.61	396.22	5.98	-69.63
CC[NH+]1CCN(CCCCNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013838128	1	53	0.0	-72.83	395.05	5.84	-66.99
CCN1CC[NH+](CCCCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013838129	0	54	0.0	-78.57	411.33	5.71	-72.86
CC[NH+]1CCN(CCCCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013838129	1	54	0.0	-75.84	410.98	5.72	-70.12
CCN1CC[NH+](CCCCNC(=O)NC(C)CCC(=O)[O-])CC1	REAL300013838130	0	55	0.0	-70.39	414.85	5.42	-64.97
CC[NH+]1CCN(CCCCNC(=O)NC(C)CCC(=O)[O-])CC1	REAL300013838130	1	55	0.0	-69.41	414.34	5.39	-64.02
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013838131	0	57	0.0	-73.80	415.86	9.82	-63.98
CC1CC(C)C[NH+](CCCCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013838132	0	57	0.0	-77.13	439.93	9.46	-67.67
CC1CC(C)C[NH+](CCCCNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013838133	0	55	0.0	-79.01	409.01	8.29	-70.72
CC1CC(C)C[NH+](CCCCNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013838134	0	60	0.0	-69.50	436.80	9.54	-59.96
CC1CC(C)C[NH+](CCCCNC(=O)NCCCCC(=O)[O-])C1	REAL300013838135	0	56	0.0	-76.61	423.65	8.14	-68.47
CC1CC(C)C[NH+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013838136	0	57	0.0	-77.29	439.92	9.45	-67.84
CC1CC(C)C[NH+](CCCCNC(=O)NCCCCCC(=O)[O-])C1	REAL300013838137	0	59	0.0	-75.43	445.15	8.92	-66.51
CC1CC(C)C[NH+](CCCCNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013838138	0	56	0.0	-76.79	416.09	8.02	-68.77
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013838139	0	57	0.0	-75.84	423.02	9.42	-66.42
CC1CC(C(=O)[O-])CN(C(=O)NCCCC[NH+]2CC(C)CC(C)C2)C1	REAL300013838140	0	60	0.0	-79.24	437.53	10.42	-68.82
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013838141	0	60	0.0	-75.53	430.09	10.15	-65.38
CC1CC(C)C[NH+](CCCCNC(=O)NCCCC(=O)[O-])C1	REAL300013838142	0	53	0.0	-71.43	402.15	7.36	-64.07
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(C)C(C(=O)[O-])C2)C1	REAL300013838143	0	60	0.0	-78.61	432.07	10.28	-68.33
CC1CC(C)C[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013838144	0	61	0.0	-67.14	442.25	7.53	-59.61
CC1CC(C)C[NH+](CCCCNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013838145	0	59	0.0	-72.29	435.44	8.24	-64.05
CCC(CC)(CNC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013838146	0	62	0.0	-65.45	443.04	9.20	-56.25
CC(CNC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013838147	0	53	0.0	-75.07	399.20	7.32	-67.75
CC(C)C(CNC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013838148	0	59	0.0	-66.39	431.68	8.65	-57.74
CC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013838149	0	66	0.0	-78.95	477.76	10.36	-68.59
CC1CC(C)C[NH+](CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013838150	0	63	0.0	-67.16	467.11	10.88	-56.28
CC1CC(C)C[NH+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013838151	0	57	0.0	-69.30	423.58	8.61	-60.69
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013838152	0	63	0.0	-75.18	456.70	11.30	-63.88
CC1CC(C)C[NH+](CCCCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013838153	0	59	0.0	-75.70	427.15	7.99	-67.71
CC1CC(C)C[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013838154	0	60	0.0	-67.34	440.63	9.41	-57.93
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])C(C)C2)C1	REAL300013838155	0	60	0.0	-72.35	429.24	10.56	-61.79
CC1CC(C)C[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013838156	0	57	0.0	-65.42	423.55	8.56	-56.86
CC1CC(C)C[NH+](CCCCNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013838157	0	60	0.0	-75.87	447.66	9.34	-66.53
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013838158	0	60	0.0	-75.53	430.09	10.15	-65.38
CC(C)C[C@H](CNC(=O)NCCCC[NH+]1CC(C)CC(C)C1)CC(=O)[O-]	REAL300013838159	0	65	0.0	-73.39	468.66	9.75	-63.64
CC1CC(C)C[NH+](CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013838160	0	57	0.0	-72.87	433.55	9.56	-63.31
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[NH+]2CC(C)CC(C)C2)C1	REAL300013838161	0	61	0.0	-78.25	453.88	8.54	-69.71
CC1CC(C)C[NH+](CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013838162	0	54	0.0	-71.97	407.61	7.93	-64.04
CC1CC(C)C[NH+](CCCCNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013838163	0	62	0.0	-74.01	455.66	7.00	-67.01
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013838164	0	57	0.0	-79.11	416.82	9.86	-69.25
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013838165	0	57	0.0	-63.42	417.35	9.88	-53.54
CC1CC(C)C[NH+](CCCCNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013838166	0	54	0.0	-72.01	407.62	7.92	-64.09
CC1CC(C)C[NH+](CCCCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013838167	0	54	0.0	-73.75	406.74	7.94	-65.81
CC1CC(C)C[NH+](CCCCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013838168	0	57	0.0	-77.29	439.92	9.45	-67.84
CCC(CNC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013838169	0	56	0.0	-67.83	421.15	8.02	-59.81
CC1CC(C)C[NH+](CCCCNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013838170	0	63	0.0	-81.61	450.56	11.23	-70.38
CC1CC(C)C[NH+](CCCCNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013838171	0	65	0.0	-77.43	488.14	10.48	-66.95
CC1CC(C)C[NH+](CCCCNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013838172	0	62	0.0	-78.20	466.65	9.70	-68.50
CC1CC(C)C[NH+](CCCCNC(=O)N(C)CCCC(=O)[O-])C1	REAL300013838173	0	56	0.0	-76.79	419.78	9.75	-67.04
CC1CC(C)C[NH+](CCCCNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013838174	0	60	0.0	-79.70	431.50	10.60	-69.10
COCC1(C(=O)[O-])CCCN(C(=O)NCCCC[NH+]2CC(C)CC(C)C2)C1	REAL300013838175	0	64	0.0	-82.79	463.02	10.37	-72.42
COCCN(CCC(=O)[O-])C(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300013838176	0	60	0.0	-61.34	451.47	9.11	-52.23
CC1CC(C)C[NH+](CCCCNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013838177	0	63	0.0	-79.14	457.02	11.30	-67.84
CC1CC(C)C[NH+](CCCCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013838178	0	61	0.0	-81.80	449.28	12.60	-69.20
CC1CC(C)C[NH+](CCCCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013838179	0	58	0.0	-69.24	429.17	8.60	-60.64
CC1CC(C)C[NH+](CCCCNC(=O)N2CC(C(=O)[O-])CCC2C)C1	REAL300013838180	0	60	0.0	-62.09	431.88	10.44	-51.65
CC1CC(C)C[NH+](CCCCNC(=O)N2CCCC(O)(C(=O)[O-])C2)C1	REAL300013838181	0	58	0.0	-76.50	426.25	7.41	-69.09
CC1CC(C)C[NH+](CCCCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013838182	0	61	0.0	-75.29	462.63	10.69	-64.60
CC1CC(C)C[NH+](CCCCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013838183	0	64	0.0	-86.95	468.27	9.68	-77.27
COCC1(C(=O)[O-])CCN(C(=O)NCCCC[NH+]2CC(C)CC(C)C2)CC1	REAL300013838184	0	64	0.0	-76.17	461.45	9.25	-66.92
CC1CC(C)C[NH+](CCCCNC(=O)NC23CC(C(=O)[O-])(C2)C3)C1	REAL300013838185	0	55	0.0	-78.24	417.40	8.16	-70.08
CC1CC(C)C[NH+](CCCCNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013838186	0	66	0.0	-68.77	463.28	10.14	-58.63
CC1CC(C)C[NH+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C1	REAL300013838187	0	60	0.0	-68.90	430.08	9.55	-59.35
CC1CC(C)C[NH+](CCCCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013838188	0	63	0.0	-76.34	461.00	9.84	-66.50
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013838189	0	60	0.0	-69.11	434.39	10.52	-58.59
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013838190	0	61	0.0	-77.52	450.93	9.90	-67.62
CC1CC(C)C[NH+](CCCCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013838191	0	60	0.0	-73.19	442.57	9.15	-64.04
CC1CC(C)C[NH+](CCCCNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013838192	0	60	0.0	-72.89	442.04	9.14	-63.75
CC1CC(C)C[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013838193	0	61	0.0	-70.34	447.37	8.00	-62.34
CC1CC(C)C[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013838194	0	58	0.0	-66.42	429.31	6.69	-59.73
CC1CC(C)C[NH+](CCCCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013838195	0	55	0.0	-72.15	412.39	8.65	-63.50
CC1CC(C)C[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CC2)C1	REAL300013838196	0	54	0.0	-63.50	407.45	8.19	-55.31
CC1CC(C)C[NH+](CCCCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013838197	0	61	0.0	-67.62	445.64	10.67	-56.95
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013838198	0	57	0.0	-69.35	436.66	9.70	-59.65
CC1CC(C)C[NH+](CCCCNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013838199	0	58	0.0	-79.74	424.56	9.08	-70.66
CC1CC(C)C[NH+](CCCCNC(=O)N2CC(C(=O)[O-])C2)C1	REAL300013838200	0	51	0.0	-67.88	388.20	8.22	-59.66
COC1CC(C(=O)[O-])CN(C(=O)NCCCC[NH+]2CC(C)CC(C)C2)C1	REAL300013838201	0	61	0.0	-64.51	447.72	8.93	-55.58
CC1CC(C)C[NH+](CCCCNC(=O)N2CCC(C(=O)[O-])C2)C1	REAL300013838202	0	54	0.0	-75.10	403.29	8.94	-66.16
CC1CC(C)C[NH+](CCCCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300013838203	0	55	0.0	-77.98	418.07	8.66	-69.32
CC(CCC(=O)[O-])NC(=O)NCCCC[NH+]1CC(C)CC(C)C1	REAL300013838204	0	56	0.0	-69.77	421.91	8.37	-61.40
CC1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)O1	REAL300013838216	1	45	0.0	-43.67	356.92	5.95	-37.72
CC1=CC=C(OCCCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013838273	1	55	0.0	-38.86	427.12	8.06	-30.80
CC(CC1=CC=CO1)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013838327	1	45	0.0	-38.30	355.44	6.12	-32.18
O=C([O-])C[NH+]1CCC(NC(=O)NCC(C2=CC=CC=C2)N2CCOCC2)CC1	REAL300013838383	1	58	0.0	-37.14	425.21	6.02	-31.12
O=C([O-])CCNC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300013838418	1	49	0.0	-70.87	395.36	8.65	-62.22
O=C([O-])CCNC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300013838418	1	49	0.0	-71.52	393.19	9.55	-61.97
O=C([O-])CCCNC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300013838419	1	52	0.0	-70.06	416.86	9.44	-60.62
O=C([O-])CCCNC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300013838419	1	52	0.0	-69.61	414.69	10.35	-59.26
CC(CNC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013838420	1	52	0.0	-72.44	414.72	9.43	-63.01
CC(CNC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013838420	1	52	0.0	-73.60	415.21	9.47	-64.13
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC(C2=CC=CC=C2)[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300013838421	1	53	0.0	-71.45	422.89	10.04	-61.41
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC(C2=CC=CC=C2)[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300013838421	1	53	0.0	-70.05	422.42	10.02	-60.03
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CC=C2)[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300013838422	1	53	0.0	-73.00	420.59	11.06	-61.94
O=C([O-])C1CC(NC(=O)NCC(C2=CC=CC=C2)[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300013838422	1	53	0.0	-73.20	422.24	10.10	-63.10
O=C([O-])[C@H]1C[C@H](NC(=O)NCC(C2=CC=CC=C2)[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300013838423	1	53	0.0	-71.78	420.72	10.89	-60.89
O=C([O-])[C@H]1C[C@H](NC(=O)NCC(C2=CC=CC=C2)[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300013838423	1	53	0.0	-74.31	423.11	10.12	-64.19
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC=C2)[N@@H+]2CCC3=C(C=CS3)C2)CC1	REAL300013838424	1	53	0.0	-60.89	422.52	10.38	-50.51
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC=C2)[N@H+]2CCC3=C(C=CS3)C2)CC1	REAL300013838424	1	53	0.0	-59.29	422.94	10.42	-48.87
O=C([O-])C1CN(C(=O)NCC(C2=CC=CC=C2)[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300013838425	1	50	0.0	-64.84	403.08	10.22	-54.62
O=C([O-])C1CN(C(=O)NCC(C2=CC=CC=C2)[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300013838425	1	50	0.0	-66.28	403.54	10.25	-56.03
O=C([O-])C1CCN(C(=O)NCC(C2=CC=CC=C2)[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300013838426	1	53	0.0	-73.71	416.74	12.02	-61.69
O=C([O-])C1CCN(C(=O)NCC(C2=CC=CC=C2)[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300013838426	1	53	0.0	-72.29	417.32	11.97	-60.32
COCCOC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013838473	1	52	0.0	-39.50	415.67	3.17	-36.33
COCCOC1=NC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013838548	1	52	0.0	-39.91	414.25	3.18	-36.73
CC(C)OC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013838622	1	51	0.0	-37.84	402.17	4.82	-33.02
CC(C)OC1=NC=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013838696	1	51	0.0	-38.07	401.15	4.89	-33.18
CCOCCOCC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013838844	1	59	0.0	-38.87	465.54	7.19	-31.68
CC1CCCCC1OCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013838909	1	55	0.0	-39.74	408.33	6.81	-32.93
COCCOC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013838983	1	53	0.0	-42.94	418.12	5.77	-37.17
COCCOC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013839058	1	53	0.0	-39.09	418.13	5.77	-33.32
CCCC(=O)NC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013839134	1	55	0.0	-46.19	431.16	6.72	-39.47
CC(CNC(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839174	1	57	0.0	-74.90	410.30	8.62	-66.28
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839175	1	57	0.0	-78.90	438.71	8.27	-70.63
CC(CNC(=O)N1CCOC(C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839176	1	55	0.0	-80.72	403.19	7.01	-73.71
CC(CNC(=O)NC1CCC(C(=O)[O-])CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839177	1	60	0.0	-69.26	436.91	8.40	-60.86
CC(CNC(=O)NCCCCC(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839178	1	56	0.0	-78.19	418.01	6.92	-71.27
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839179	1	57	0.0	-77.11	434.28	8.23	-68.88
CC(CNC(=O)NCCC(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839180	1	50	0.0	-73.77	375.01	5.33	-68.44
CC(CNC(=O)NCCCCCC(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839181	1	59	0.0	-76.81	439.51	7.70	-69.11
CC(CNC(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839182	1	56	0.0	-77.72	409.87	6.80	-70.92
CC(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839183	1	57	0.0	-77.05	417.37	8.18	-68.87
CC(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839184	1	60	0.0	-56.75	431.82	9.18	-47.57
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839185	1	60	0.0	-75.41	424.62	8.95	-66.46
CC(CNC(=O)NCCCC(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839186	1	53	0.0	-71.51	396.51	6.13	-65.38
CC(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839187	1	60	0.0	-55.51	426.23	9.01	-46.50
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839188	1	59	0.0	-72.66	429.22	7.00	-65.66
CCC(CC)(CNC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013839189	1	62	0.0	-59.31	438.00	8.10	-51.21
CC(CNC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013839190	1	53	0.0	-75.15	392.69	6.08	-69.07
CC(C)C(CNC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013839191	1	59	0.0	-63.18	432.31	7.28	-55.90
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839192	1	57	0.0	-71.93	421.37	7.30	-64.63
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839193	1	60	0.0	-62.64	434.97	8.19	-54.45
CC(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839194	1	60	0.0	-73.52	423.43	9.29	-64.23
CC(CNC(=O)NCC1(C(=O)[O-])CCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839195	1	57	0.0	-60.20	417.88	7.33	-52.87
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839196	1	60	0.0	-74.38	446.40	8.13	-66.25
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839197	1	60	0.0	-75.41	424.62	8.95	-66.46
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839198	1	57	0.0	-69.02	432.33	8.37	-60.65
CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839199	1	54	0.0	-72.00	405.75	6.70	-65.30
CC(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839200	1	57	0.0	-80.60	410.22	8.58	-72.02
CC(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839201	1	57	0.0	-61.94	415.65	8.65	-53.29
CC(CNC(=O)NC1CC(C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839202	1	54	0.0	-71.82	401.98	6.69	-65.13
CC(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839203	1	54	0.0	-74.80	401.71	6.70	-68.10
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839204	1	57	0.0	-77.11	434.28	8.23	-68.88
CCC(CNC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013839205	1	56	0.0	-62.75	415.52	6.80	-55.95
CC(CNC(=O)NCCCCCCC(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839206	1	62	0.0	-80.34	461.01	8.48	-71.86
CC(CNC(=O)N(C)CCCC(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839207	1	56	0.0	-77.13	414.14	8.52	-68.61
CC(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839208	1	60	0.0	-82.41	425.67	9.33	-73.08
COCCN(CCC(=O)[O-])C(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839209	1	60	0.0	-54.09	445.83	7.87	-46.22
CC(CNC(=O)N1CC(C(=O)[O-])CCC1C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839210	1	60	0.0	-60.74	430.42	9.20	-51.54
CC(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839211	1	58	0.0	-62.68	425.00	6.19	-56.49
CC(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839212	1	55	0.0	-79.04	416.15	6.97	-72.07
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839213	1	60	0.0	-68.83	436.63	8.35	-60.48
CC(CNC(=O)N1CCC(CC(=O)[O-])CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839214	1	60	0.0	-68.35	428.83	9.32	-59.03
CC(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839215	1	60	0.0	-72.89	437.19	7.96	-64.93
CC(CNC(=O)NC1CCCC(C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839216	1	60	0.0	-70.97	436.90	8.39	-62.58
CC(CNC(=O)NCC1(C(=O)[O-])CCOC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839217	1	58	0.0	-64.08	428.09	5.50	-58.58
CC(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839218	1	55	0.0	-72.87	417.58	7.46	-65.41
CC(CNC(=O)NCC1(C(=O)[O-])CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839219	1	54	0.0	-57.44	401.79	6.95	-50.49
CC(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839220	1	58	0.0	-82.21	418.71	7.81	-74.40
CC(CNC(=O)N1CC(C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839221	1	51	0.0	-66.65	382.75	6.90	-59.75
CC(CNC(=O)N1CCC(C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839222	1	54	0.0	-76.25	397.63	7.70	-68.55
CC(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839223	1	55	0.0	-79.87	412.67	7.46	-72.41
CC(CCC(=O)[O-])NC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839224	1	56	0.0	-68.93	416.27	7.14	-61.79
O=C([O-])CCNC(=O)NCC1=CC=CC=C1C[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013839225	0	57	0.0	-68.02	435.97	9.24	-58.78
O=C([O-])C1CCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1	REAL300013839226	1	54	0.0	-80.63	406.38	8.05	-72.58
O=C([O-])C1CN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCO1	REAL300013839227	1	52	0.0	-86.05	399.05	6.47	-79.58
O=C([O-])C1CCC(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1	REAL300013839228	1	57	0.0	-74.81	427.36	7.77	-67.04
O=C([O-])CCCCNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300013839229	1	53	0.0	-83.35	414.21	6.37	-76.98
O=C([O-])CCNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300013839230	1	47	0.0	-79.50	371.21	4.79	-74.71
O=C([O-])CCCCCNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300013839231	1	56	0.0	-82.39	435.71	7.15	-75.24
CC(C)(CNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013839232	1	53	0.0	-82.92	406.07	6.26	-76.66
CC1(C(=O)[O-])CCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013839233	1	54	0.0	-82.64	413.06	7.59	-75.05
CC1CC(C(=O)[O-])CN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013839234	1	57	0.0	-85.87	427.54	8.60	-77.27
CC1(C(=O)[O-])CCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1	REAL300013839235	1	57	0.0	-82.74	420.02	8.37	-74.37
O=C([O-])CCCNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300013839236	1	50	0.0	-77.73	392.71	5.59	-72.14
CC1CCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1C(=O)[O-]	REAL300013839237	1	57	0.0	-84.97	422.12	8.46	-76.51
CC(C)(CCNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013839238	1	56	0.0	-78.84	426.00	6.47	-72.37
CCC(CC)(CNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013839239	1	59	0.0	-67.90	433.60	7.43	-60.47
CC(CNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013839240	1	50	0.0	-80.95	389.76	5.55	-75.40
CC(C)C(CNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013839241	1	56	0.0	-69.32	422.24	6.88	-62.44
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013839242	1	54	0.0	-75.19	414.12	6.84	-68.35
O=C([O-])C1(CNC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCCC1	REAL300013839243	1	57	0.0	-69.92	431.17	7.64	-62.28
CC1CN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCC1C(=O)[O-]	REAL300013839244	1	57	0.0	-79.50	419.29	8.74	-70.76
O=C([O-])C1(CNC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCC1	REAL300013839245	1	54	0.0	-68.33	414.09	6.79	-61.54
O=C([O-])CC(CNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CC1	REAL300013839246	1	57	0.0	-80.27	438.22	7.57	-72.70
CC1(C(=O)[O-])CCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1	REAL300013839247	1	57	0.0	-82.74	420.02	8.37	-74.37
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013839248	1	51	0.0	-78.42	397.84	6.15	-72.27
O=C([O-])[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013839249	1	54	0.0	-65.64	406.65	8.04	-57.60
O=C([O-])[C@H]1CCCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013839250	1	54	0.0	-85.54	406.70	8.03	-77.51
O=C([O-])C1CC(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013839251	1	51	0.0	-78.36	398.18	6.15	-72.21
O=C([O-])[C@H]1C[C@H](NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013839252	1	51	0.0	-80.49	398.00	6.20	-74.29
CCC(CNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013839253	1	53	0.0	-71.12	411.71	6.25	-64.87
O=C([O-])CCCCCCNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300013839254	1	59	0.0	-85.38	457.20	7.93	-77.45
CN(CCCC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300013839255	1	53	0.0	-81.89	410.34	7.98	-73.91
CC1(C(=O)[O-])CCCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013839256	1	57	0.0	-86.76	422.04	8.83	-77.93
COCCN(CCC(=O)[O-])C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300013839257	1	57	0.0	-64.21	442.03	7.34	-56.87
CC1CCC(C(=O)[O-])CN1C(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300013839258	1	57	0.0	-65.89	422.10	8.58	-57.31
O=C([O-])C1(O)CCCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013839259	1	55	0.0	-83.05	416.33	5.59	-77.46
O=C([O-])C12CC(NC(=O)NCC[NH+]3CCN(C4=CC=C(F)C=C4)CC3)(C1)C2	REAL300013839260	1	52	0.0	-85.46	407.92	6.38	-79.08
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1	REAL300013839261	1	57	0.0	-75.13	428.67	7.82	-67.31
O=C([O-])CC1CCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1	REAL300013839262	1	57	0.0	-75.55	424.91	8.75	-66.80
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013839263	1	57	0.0	-79.44	432.58	7.37	-72.07
O=C([O-])C1CCCC(NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013839264	1	57	0.0	-79.50	432.59	7.37	-72.13
O=C([O-])C1(CNC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCOC1	REAL300013839265	1	55	0.0	-69.90	419.86	4.92	-64.98
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC[NH+]1CCN(C3=CC=C(F)C=C3)CC1)C2	REAL300013839266	1	52	0.0	-78.69	409.34	6.88	-71.81
O=C([O-])C1(CNC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1	REAL300013839267	1	51	0.0	-66.07	397.99	6.42	-59.65
CC1(C(=O)[O-])CN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCO1	REAL300013839268	1	55	0.0	-87.04	414.58	7.26	-79.78
O=C([O-])C1CN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013839269	1	48	0.0	-73.35	378.74	6.45	-66.90
O=C([O-])C1CCN(C(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013839270	1	51	0.0	-81.60	393.34	7.12	-74.48
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC[NH+]1CCN(C3=CC=C(F)C=C3)CC1)C2	REAL300013839271	1	52	0.0	-85.12	408.95	6.89	-78.23
CC(CCC(=O)[O-])NC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300013839272	1	53	0.0	-75.44	412.47	6.60	-68.84
CCN(CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1C	REAL300013839305	1	56	0.0	-40.62	424.23	7.65	-32.97
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCC(C(=O)[O-])CC3)CC2)=C1	REAL300013839348	0	60	0.0	-77.75	442.88	9.45	-68.30
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCOC(C(=O)[O-])C3)CC2)=C1	REAL300013839349	0	58	0.0	-68.79	436.00	7.92	-60.87
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCCCCC(=O)[O-])CC2)=C1	REAL300013839350	0	59	0.0	-81.86	450.69	7.77	-74.09
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCCC(=O)[O-])CC2)=C1	REAL300013839351	0	53	0.0	-78.58	407.69	6.20	-72.38
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCCCCCC(=O)[O-])CC2)=C1	REAL300013839352	0	62	0.0	-80.74	472.18	8.55	-72.19
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCC(C)(C)C(=O)[O-])CC2)=C1	REAL300013839353	0	59	0.0	-81.74	442.54	7.65	-74.09
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCC(C)(C(=O)[O-])C3)CC2)=C1	REAL300013839354	0	60	0.0	-81.18	450.05	9.03	-72.15
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCCCC(=O)[O-])CC2)=C1	REAL300013839355	0	56	0.0	-76.50	429.19	6.99	-69.51
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])CC2)=C1	REAL300013839356	0	62	0.0	-77.49	461.89	7.87	-69.62
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCC(C)C(=O)[O-])CC2)=C1	REAL300013839357	0	56	0.0	-80.04	426.24	6.95	-73.09
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCC(C(=O)[O-])C(C)C)CC2)=C1	REAL300013839358	0	62	0.0	-72.05	464.98	8.15	-63.90
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300013839359	0	60	0.0	-73.96	450.60	8.24	-65.72
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCC3(C(=O)[O-])CCC3)CC2)=C1	REAL300013839360	0	60	0.0	-68.80	450.57	8.19	-60.61
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300013839361	0	57	0.0	-76.93	434.64	7.55	-69.38
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300013839362	0	60	0.0	-65.49	443.13	9.44	-56.05
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCC[C@H](C(=O)[O-])C3)CC2)=C1	REAL300013839363	0	60	0.0	-84.46	443.69	9.47	-74.99
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC3CC(C(=O)[O-])C3)CC2)=C1	REAL300013839364	0	57	0.0	-76.86	434.27	7.55	-69.31
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)=C1	REAL300013839365	0	57	0.0	-78.99	434.17	7.60	-71.39
CCC(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300013839366	0	59	0.0	-69.49	443.27	7.88	-61.61
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N(C)CCCC(=O)[O-])CC2)=C1	REAL300013839367	0	59	0.0	-81.14	446.81	9.37	-71.77
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC34CC(C(=O)[O-])(C3)C4)CC2)=C1	REAL300013839368	0	58	0.0	-83.64	444.40	7.77	-75.87
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)CC2)=C1	REAL300013839369	0	58	0.0	-77.53	446.14	8.26	-69.27
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCC3(C(=O)[O-])CC3)CC2)=C1	REAL300013839370	0	57	0.0	-66.77	434.47	7.82	-58.95
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CC(C(=O)[O-])C3)CC2)=C1	REAL300013839371	0	54	0.0	-72.57	415.22	7.84	-64.73
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N3CCC(C(=O)[O-])C3)CC2)=C1	REAL300013839372	0	57	0.0	-80.21	430.32	8.56	-71.65
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)CC2)=C1	REAL300013839373	0	58	0.0	-83.45	444.57	8.24	-75.21
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NC(C)CCC(=O)[O-])CC2)=C1	REAL300013839374	0	59	0.0	-74.46	448.94	8.00	-66.46
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NCCCCC(=O)[O-])CC2)=C1	REAL300013839375	0	62	0.0	-81.85	472.18	8.53	-73.32
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NCCC(=O)[O-])CC2)=C1	REAL300013839376	0	56	0.0	-79.01	429.19	6.96	-72.05
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NCC(C)(C)C(=O)[O-])CC2)=C1	REAL300013839377	0	62	0.0	-81.83	464.04	8.42	-73.41
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NCCCC(=O)[O-])CC2)=C1	REAL300013839378	0	59	0.0	-76.69	450.69	7.75	-68.94
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NCC(C)C(=O)[O-])CC2)=C1	REAL300013839379	0	59	0.0	-79.92	446.86	7.70	-72.22
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300013839380	0	60	0.0	-77.23	455.83	8.32	-68.91
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NC3CC(C(=O)[O-])C3)CC2)=C1	REAL300013839381	0	60	0.0	-77.10	455.77	8.32	-68.78
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)=C1	REAL300013839382	0	60	0.0	-78.97	455.70	8.37	-70.60
CCC(CNC(=O)NCCCC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300013839383	0	62	0.0	-72.73	469.69	8.43	-64.30
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N(C)CCCC(=O)[O-])CC2)=C1	REAL300013839384	0	62	0.0	-81.88	468.31	10.15	-71.73
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NCC3(C(=O)[O-])CC3)CC2)=C1	REAL300013839385	0	60	0.0	-68.42	455.98	8.59	-59.83
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N3CC(C(=O)[O-])C3)CC2)=C1	REAL300013839386	0	57	0.0	-73.14	436.72	8.62	-64.52
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N3CCC(C(=O)[O-])C3)CC2)=C1	REAL300013839387	0	60	0.0	-80.24	451.81	9.33	-70.91
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NC(C)CCC(=O)[O-])CC2)=C1	REAL300013839388	0	62	0.0	-74.83	470.44	8.77	-66.06
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300013839393	1	55	0.0	-75.49	411.12	6.44	-69.05
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013839394	1	55	0.0	-80.73	435.10	6.10	-74.63
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300013839395	1	53	0.0	-79.73	404.12	4.90	-74.83
CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC1	REAL300013839396	1	58	0.0	-83.69	437.35	5.76	-77.93
CCCNC(=O)C[NH+]1CCC(NC(=O)NCCCCC(=O)[O-])CC1	REAL300013839397	1	54	0.0	-77.79	418.85	4.78	-73.01
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013839398	1	55	0.0	-81.01	434.72	6.08	-74.93
CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC(=O)[O-])CC1	REAL300013839399	1	48	0.0	-74.73	375.86	3.20	-71.53
CCCNC(=O)C[NH+]1CCC(NC(=O)NCCCCCC(=O)[O-])CC1	REAL300013839400	1	57	0.0	-77.47	440.35	5.56	-71.91
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013839401	1	54	0.0	-77.46	411.30	4.65	-72.81
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013839402	1	55	0.0	-77.47	418.19	6.03	-71.44
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013839403	1	58	0.0	-69.07	431.87	7.02	-62.05
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013839404	1	58	0.0	-80.81	424.22	6.77	-74.04
CCCNC(=O)C[NH+]1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013839405	1	51	0.0	-73.79	397.36	3.99	-69.80
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013839406	1	58	0.0	-67.31	421.52	6.70	-60.61
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013839407	1	59	0.0	-68.38	438.42	3.98	-64.40
CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013839408	1	57	0.0	-75.03	430.06	4.87	-70.16
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013839409	1	60	0.0	-69.41	440.66	6.01	-63.40
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(C)C(=O)[O-])CC1	REAL300013839410	1	51	0.0	-76.05	394.40	3.96	-72.09
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013839411	1	57	0.0	-69.41	426.23	5.28	-64.13
CCCNC(=O)C[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013839412	1	64	0.0	-82.18	473.80	7.07	-75.11
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013839413	1	55	0.0	-77.30	418.65	5.26	-72.04
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013839414	1	61	0.0	-77.90	451.94	7.89	-70.01
CCCNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013839415	1	57	0.0	-77.51	429.34	4.64	-72.87
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013839416	1	58	0.0	-73.52	435.80	6.05	-67.47
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013839417	1	58	0.0	-74.77	424.35	7.17	-67.60
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013839418	1	55	0.0	-69.04	418.71	5.20	-63.84
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013839419	1	58	0.0	-75.05	442.46	5.97	-69.08
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013839420	1	58	0.0	-80.81	424.22	6.77	-74.04
CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013839421	1	63	0.0	-72.17	463.47	6.36	-65.81
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013839422	1	55	0.0	-75.18	428.32	6.20	-68.98
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])C2)CC1	REAL300013839423	1	59	0.0	-81.07	449.21	5.33	-75.74
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013839424	1	52	0.0	-77.34	402.10	4.54	-72.80
CCCNC(=O)CN1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013839425	1	60	0.0	-42.04	450.00	3.56	-38.48
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013839426	1	55	0.0	-67.39	411.33	6.43	-60.96
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013839427	1	55	0.0	-84.04	411.39	6.48	-77.56
CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013839428	1	52	0.0	-74.82	402.80	4.55	-70.27
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013839429	1	52	0.0	-76.35	402.35	4.60	-71.75
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013839430	1	55	0.0	-81.01	434.72	6.08	-74.93
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(CC)C(=O)[O-])CC1	REAL300013839431	1	54	0.0	-69.44	416.36	4.66	-64.78
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013839432	1	61	0.0	-78.92	445.08	7.85	-71.07
CCCNC(=O)C[NH+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013839433	1	63	0.0	-79.32	483.35	7.12	-72.20
CCCNC(=O)C[NH+]1CCC(NC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013839434	1	60	0.0	-79.52	461.85	6.34	-73.18
CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013839435	1	54	0.0	-80.35	414.58	6.37	-73.98
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013839436	1	58	0.0	-80.24	426.72	7.22	-73.02
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300013839437	1	62	0.0	-84.25	458.85	6.35	-77.90
CCCNC(=O)C[NH+]1CCC(NC(=O)N(CCOC)CCC(=O)[O-])CC1	REAL300013839438	1	58	0.0	-67.59	446.67	5.74	-61.85
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013839439	1	61	0.0	-79.10	452.21	7.88	-71.22
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013839440	1	56	0.0	-75.36	423.88	5.24	-70.12
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013839441	1	58	0.0	-67.90	428.51	7.07	-60.83
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013839442	1	56	0.0	-77.21	421.49	4.01	-73.20
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])CC2)CC1	REAL300013839443	1	62	0.0	-83.95	456.20	5.88	-78.07
CCCNC(=O)C[NH+]1CCC(NC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013839444	1	53	0.0	-78.96	412.17	4.76	-74.20
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013839445	1	64	0.0	-74.82	458.51	6.77	-68.05
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013839446	1	58	0.0	-74.57	431.59	6.14	-68.43
CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013839447	1	61	0.0	-79.06	456.17	6.47	-72.59
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013839448	1	58	0.0	-77.44	429.62	7.11	-70.33
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013839449	1	59	0.0	-78.55	446.19	6.53	-72.02
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013839450	1	58	0.0	-78.41	437.35	5.76	-72.65
CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013839451	1	58	0.0	-73.52	433.32	6.20	-67.32
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013839452	1	59	0.0	-71.59	439.67	4.36	-67.23
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013839453	1	56	0.0	-70.99	424.48	3.33	-67.66
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013839454	1	53	0.0	-79.20	413.89	5.26	-73.94
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013839455	1	52	0.0	-67.90	402.98	4.93	-62.97
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013839456	1	59	0.0	-71.72	440.83	7.31	-64.41
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013839457	1	56	0.0	-80.87	419.69	5.68	-75.19
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC(C(=O)[O-])C2)CC1	REAL300013839458	1	49	0.0	-73.90	383.20	4.75	-69.15
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC(OC)CC(C(=O)[O-])C2)CC1	REAL300013839459	1	59	0.0	-68.87	442.93	5.53	-63.34
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013839460	1	52	0.0	-76.22	398.48	5.57	-70.65
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013839461	1	53	0.0	-79.32	413.22	5.28	-74.04
CCCNC(=O)C[NH+]1CCC(NC(=O)NC(C)CCC(=O)[O-])CC1	REAL300013839462	1	54	0.0	-71.62	417.11	4.99	-66.63
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2CCCC2)CC1	REAL300013839474	1	51	0.0	-39.75	380.43	7.42	-32.33
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2CCCCC2)CC1	REAL300013839520	1	54	0.0	-39.70	396.92	8.00	-31.70
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(N3CCCC3=O)=C2)CC1	REAL300013839589	1	53	0.0	-42.52	410.46	7.38	-35.14
CCC(CC)C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013839662	1	57	0.0	-35.19	410.85	10.10	-25.09
CC(C)(C)C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013839736	1	54	0.0	-35.10	394.22	8.50	-26.60
CC(C)(C)CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013839812	1	57	0.0	-35.34	417.91	9.00	-26.34
CC(C)(C)CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013839887	1	57	0.0	-39.66	425.33	9.02	-30.64
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CSC3=CC=CC=C23)CC1	REAL300013839958	1	45	0.0	-36.52	370.04	7.64	-28.88
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3C=CC=N3)C=C2)CC1	REAL300013840034	1	49	0.0	-40.86	391.50	7.47	-33.39
N#CC1=CC=C(NCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=C1	REAL300013840108	1	47	0.0	-46.96	383.38	4.66	-42.30
O=C([O-])C[NH+]1CCC(NC(=O)NCCNC2=NC=C(Cl)C=C2Cl)CC1	REAL300013840183	1	46	0.0	-41.00	395.89	5.64	-35.36
CC(=O)NCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013840275	1	45	0.0	-43.91	355.13	2.35	-41.56
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(C(=O)[O-])CC1)C(C)C	REAL300013840294	0	55	0.0	-65.87	392.63	9.55	-56.32
C=CC[NH+](CC=C)C(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)C(C)C	REAL300013840295	0	55	0.0	-71.03	411.24	9.56	-61.47
C=CC[NH+](CC=C)C(CNC(=O)N1CCOC(C(=O)[O-])C1)C(C)C	REAL300013840296	0	53	0.0	-54.56	385.64	8.45	-46.11
C=CC[NH+](CC=C)C(CNC(=O)NC1CCC(C(=O)[O-])CC1)C(C)C	REAL300013840297	0	58	0.0	-61.65	412.45	9.88	-51.77
C=CC[NH+](CC=C)C(CNC(=O)NCCCCC(=O)[O-])C(C)C	REAL300013840298	0	54	0.0	-68.93	395.96	8.53	-60.40
C=CC[NH+](CC=C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(C)C	REAL300013840299	0	55	0.0	-66.02	413.05	9.80	-56.22
C=CC[NH+](CC=C)C(CNC(=O)NCCCCCC(=O)[O-])C(C)C	REAL300013840300	0	57	0.0	-69.84	420.57	9.03	-60.81
C=CC[NH+](CC=C)C(CNC(=O)NCC(C)(C)C(=O)[O-])C(C)C	REAL300013840301	0	54	0.0	-70.78	391.51	8.13	-62.65
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(C)(C(=O)[O-])C1)C(C)C	REAL300013840302	0	55	0.0	-67.26	397.34	9.70	-57.56
C=CC[NH+](CC=C)C(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)C(C)C	REAL300013840303	0	58	0.0	-50.58	408.98	10.97	-39.61
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(C)C	REAL300013840304	0	58	0.0	-70.66	405.11	10.23	-60.43
C=CC[NH+](CC=C)C(CNC(=O)NCCCC(=O)[O-])C(C)C	REAL300013840305	0	51	0.0	-62.23	374.46	7.75	-54.48
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)C(C)C	REAL300013840306	0	58	0.0	-70.55	407.69	10.38	-60.17
C=CC[NH+](CC=C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)C	REAL300013840307	0	59	0.0	-57.67	418.71	7.68	-49.99
C=CC[NH+](CC=C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C(C)C	REAL300013840308	0	57	0.0	-65.39	411.91	8.41	-56.98
C=CC[NH+](CC=C)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C(C)C	REAL300013840309	0	60	0.0	-51.93	419.95	9.53	-42.40
C=CC[NH+](CC=C)C(CNC(=O)NCC(C)C(=O)[O-])C(C)C	REAL300013840310	0	51	0.0	-67.19	377.62	7.63	-59.56
C=CC[NH+](CC=C)C(CNC(=O)NCC(C(=O)[O-])C(C)C)C(C)C	REAL300013840311	0	57	0.0	-55.29	407.48	7.95	-47.34
C=CC[NH+](CC=C)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C	REAL300013840312	0	64	0.0	-75.36	453.07	11.11	-64.25
C=CC[NH+](CC=C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013840313	0	61	0.0	-55.31	443.35	10.97	-44.34
C=CC[NH+](CC=C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(C)C	REAL300013840314	0	55	0.0	-59.67	395.44	8.68	-50.99
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C(C)C	REAL300013840315	0	61	0.0	-69.41	432.86	11.59	-57.82
C=CC[NH+](CC=C)C(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C(C)C	REAL300013840316	0	57	0.0	-65.14	406.40	8.04	-57.10
C=CC[NH+](CC=C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C(C)C	REAL300013840317	0	58	0.0	-55.81	411.93	9.50	-46.31
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)C(C)C	REAL300013840318	0	58	0.0	-64.29	396.04	9.63	-54.66
C=CC[NH+](CC=C)C(CNC(=O)NCC1(C(=O)[O-])CCC1)C(C)C	REAL300013840319	0	55	0.0	-54.70	400.00	8.73	-45.97
C=CC[NH+](CC=C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C(C)C	REAL300013840320	0	58	0.0	-68.93	427.66	9.39	-59.54
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C(C)C	REAL300013840321	0	58	0.0	-70.66	405.11	10.23	-60.43
C=CC[NH+](CC=C)C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C	REAL300013840322	0	63	0.0	-65.20	443.74	9.95	-55.25
C=CC[NH+](CC=C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C(C)C	REAL300013840323	0	55	0.0	-55.45	409.91	9.89	-45.56
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(COC)(C(=O)[O-])C1)C(C)C	REAL300013840324	0	59	0.0	-68.40	427.50	8.67	-59.73
C=CC[NH+](CC=C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C(C)C	REAL300013840325	0	52	0.0	-64.02	374.01	7.03	-56.99
C=CC[NH+](CC=C)C(CNC(=O)NC1CCN(CC(=O)[O-])CC1)C(C)C	REAL300013840326	0	60	0.0	-69.49	421.18	5.99	-63.50
C=CC[NH+](CC=C)C(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(C)C	REAL300013840327	0	55	0.0	-69.33	387.50	9.99	-59.34
C=CC[NH+](CC=C)C(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C(C)C	REAL300013840328	0	55	0.0	-56.31	386.43	9.96	-46.35
C=CC[NH+](CC=C)C(CNC(=O)NC1CC(C(=O)[O-])C1)C(C)C	REAL300013840329	0	52	0.0	-63.27	378.62	8.14	-55.13
C=CC[NH+](CC=C)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C(C)C	REAL300013840330	0	52	0.0	-67.30	387.20	7.87	-59.43
C=CC[NH+](CC=C)C(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C(C)C	REAL300013840331	0	55	0.0	-66.02	413.05	9.80	-56.22
C=CC[NH+](CC=C)C(CNC(=O)NCC(CC)C(=O)[O-])C(C)C	REAL300013840332	0	54	0.0	-50.71	392.30	8.55	-42.16
C=CC[NH+](CC=C)C(CNC(=O)N1CCCCC1CCC(=O)[O-])C(C)C	REAL300013840333	0	61	0.0	-74.83	418.25	10.37	-64.46
C=CC[NH+](CC=C)C(CNC(=O)NCCCCCCCC(=O)[O-])C(C)C	REAL300013840334	0	63	0.0	-72.97	453.05	9.43	-63.54
C=CC[NH+](CC=C)C(CNC(=O)NCCCCCCC(=O)[O-])C(C)C	REAL300013840335	0	60	0.0	-73.23	442.07	9.81	-63.42
C=CC[NH+](CC=C)C(CNC(=O)N(C)CCCC(=O)[O-])C(C)C	REAL300013840336	0	54	0.0	-68.32	396.36	10.08	-58.24
C=CC[NH+](CC=C)C(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C(C)C	REAL300013840337	0	58	0.0	-51.61	407.70	10.92	-40.69
C=CC[NH+](CC=C)C(CNC(=O)N1CCCC(COC)(C(=O)[O-])C1)C(C)C	REAL300013840338	0	62	0.0	-74.30	439.41	10.09	-64.21
C=CC[NH+](CC=C)C(CNC(=O)N(CCOC)CCC(=O)[O-])C(C)C	REAL300013840339	0	58	0.0	-49.40	416.37	8.04	-41.36
C=CC[NH+](CC=C)C(CNC(=O)N1CCCC(CCC(=O)[O-])C1)C(C)C	REAL300013840340	0	61	0.0	-74.44	433.81	10.61	-63.83
C=CC[NH+](CC=C)C(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C(C)C	REAL300013840341	0	59	0.0	-74.40	424.31	12.68	-61.72
C=CC[NH+](CC=C)C(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C(C)C	REAL300013840342	0	56	0.0	-61.44	400.86	8.66	-52.78
C=CC[NH+](CC=C)C(CNC(=O)N1CC(C(=O)[O-])CCC1C)C(C)C	REAL300013840343	0	58	0.0	-52.34	398.44	9.41	-42.93
C=CC[NH+](CC=C)C(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C(C)C	REAL300013840344	0	62	0.0	-58.53	454.40	12.59	-45.94
C=CC[NH+](CC=C)C(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C(C)C	REAL300013840345	0	56	0.0	-68.87	398.95	7.60	-61.27
C=CC[NH+](CC=C)C(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C(C)C	REAL300013840346	0	59	0.0	-67.44	435.63	10.77	-56.67
C=CC[NH+](CC=C)C(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)C(C)C	REAL300013840347	0	62	0.0	-80.54	439.57	9.77	-70.77
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(COC)(C(=O)[O-])CC1)C(C)C	REAL300013840348	0	62	0.0	-68.44	437.52	9.58	-58.86
C=CC[NH+](CC=C)C(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C(C)C	REAL300013840349	0	53	0.0	-72.46	384.15	7.27	-65.19
C=CC[NH+](CC=C)C(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C(C)C	REAL300013840350	0	64	0.0	-62.11	438.13	10.22	-51.89
C=CC[NH+](CC=C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C(C)C	REAL300013840351	0	58	0.0	-61.32	403.46	8.54	-52.78
C=CC[NH+](CC=C)C(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C(C)C	REAL300013840352	0	61	0.0	-72.27	437.37	10.04	-62.23
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(CC(=O)[O-])CC1)C(C)C	REAL300013840353	0	58	0.0	-67.76	411.12	10.22	-57.54
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C(C)C	REAL300013840354	0	59	0.0	-72.50	425.97	10.01	-62.49
C=CC[NH+](CC=C)C(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C(C)C	REAL300013840355	0	58	0.0	-64.61	421.73	9.04	-55.57
C=CC[NH+](CC=C)C(CNC(=O)NC1CCCC(C(=O)[O-])C1)C(C)C	REAL300013840356	0	58	0.0	-64.63	421.72	9.04	-55.59
C=CC[NH+](CC=C)C(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C(C)C	REAL300013840357	0	59	0.0	-59.40	423.65	8.33	-51.07
C=CC[NH+](CC=C)C(CNC(=O)NCC1(C(=O)[O-])CCOC1)C(C)C	REAL300013840358	0	56	0.0	-55.63	405.67	7.03	-48.60
C=CC[NH+](CC=C)C(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C(C)C	REAL300013840359	0	53	0.0	-65.43	394.60	8.76	-56.67
C=CC[NH+](CC=C)C(CNC(=O)NCC1(C(=O)[O-])CC1)C(C)C	REAL300013840360	0	52	0.0	-51.76	383.91	8.36	-43.40
C=CC[NH+](CC=C)C(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C(C)C	REAL300013840361	0	59	0.0	-58.87	409.93	9.60	-49.27
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C(C)C	REAL300013840362	0	55	0.0	-60.53	412.01	9.85	-50.68
C=CC[NH+](CC=C)C(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C(C)C	REAL300013840363	0	56	0.0	-53.92	401.13	8.81	-45.11
C=CC[NH+](CC=C)C(CNC(=O)N1CC(C(=O)[O-])C1)C(C)C	REAL300013840364	0	49	0.0	-60.11	363.26	8.37	-51.74
C=CC[NH+](CC=C)C(CNC(=O)N1CC(OC)CC(C(=O)[O-])C1)C(C)C	REAL300013840365	0	59	0.0	-71.23	417.75	9.04	-62.19
C=CC[NH+](CC=C)C(CNC(=O)N1CCC(C(=O)[O-])C1)C(C)C	REAL300013840366	0	52	0.0	-66.55	375.33	9.02	-57.53
C=CC[NH+](CC=C)C(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C(C)C	REAL300013840367	0	53	0.0	-70.05	391.17	9.01	-61.04
C=CC[NH+](CC=C)C(CNC(=O)NC(C)CCC(=O)[O-])C(C)C	REAL300013840368	0	54	0.0	-62.76	398.38	8.54	-54.22
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300013840401	1	55	0.0	-41.38	424.81	10.52	-30.86
CCC(C)(C)C1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013840469	1	60	0.0	-39.35	418.12	8.40	-30.95
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CC2CCC1C2	REAL300013840531	1	52	0.0	-35.19	376.48	7.65	-27.54
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C12CC3CC(CC(C3)C1)C2	REAL300013840599	1	59	0.0	-39.11	406.11	9.07	-30.04
CCOC(=O)CCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013840662	1	47	0.0	-38.77	371.66	5.72	-33.05
CC1(C)C2CCC1(C)C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C2	REAL300013840725	1	55	0.0	-34.66	387.99	8.19	-26.47
O=C([O-])C[NH+]1CCC(NC(=O)NCC23CC4CC(CC(C4)C2)C3)CC1	REAL300013840796	1	56	0.0	-35.08	392.38	8.51	-26.57
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C3OCCOC3=C2)CC1	REAL300013840871	1	51	0.0	-45.37	399.15	6.21	-39.16
CC1=CC=C(OCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013840942	1	49	0.0	-37.15	384.05	6.53	-30.62
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2=CC=CC=C2F)CC1	REAL300013841010	1	46	0.0	-43.89	368.88	5.92	-37.97
O=C([O-])CCNC(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013841049	0	53	0.0	-74.62	407.73	3.80	-70.82
O=C([O-])CCNC(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013841049	1	53	0.0	-74.38	407.71	3.81	-70.57
O=C([O-])CCCNC(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013841050	0	56	0.0	-69.90	433.12	4.25	-65.65
O=C([O-])CCCNC(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013841050	1	56	0.0	-71.44	429.21	4.60	-66.84
CC(CNC(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1)C(=O)[O-]	REAL300013841051	0	56	0.0	-73.65	429.29	4.20	-69.45
CC(CNC(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1)C(=O)[O-]	REAL300013841051	1	56	0.0	-75.20	425.38	4.54	-70.66
O=C([O-])C1CN(C(=O)NC2CCCN(C3=CC(N4CCOCC4)=NC=[NH+]3)C2)C1	REAL300013841052	0	54	0.0	-65.99	419.35	5.02	-60.97
O=C([O-])C1CN(C(=O)NC2CCCN(C3=CC(N4CCOCC4)=[NH+]C=N3)C2)C1	REAL300013841052	1	54	0.0	-67.03	415.27	5.45	-61.58
O=C([O-])C1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CC1	REAL300013841076	0	58	0.0	-67.73	412.53	11.79	-55.94
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C=C1	REAL300013841077	0	58	0.0	-70.25	436.64	11.48	-58.77
O=C([O-])C1CN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCO1	REAL300013841078	0	56	0.0	-55.10	405.50	10.22	-44.88
O=C([O-])C1CCC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CC1	REAL300013841079	0	61	0.0	-71.34	439.28	11.18	-60.16
O=C([O-])CCCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300013841080	0	57	0.0	-68.82	420.30	10.07	-58.75
O=C([O-])C1=CC(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)=CC=C1	REAL300013841081	0	58	0.0	-73.11	436.64	11.47	-61.64
O=C([O-])CCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300013841082	0	51	0.0	-63.47	377.30	8.50	-54.97
O=C([O-])CCCCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300013841083	0	60	0.0	-67.82	441.79	10.85	-56.97
CC(C)(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300013841084	0	57	0.0	-67.43	412.14	9.97	-57.46
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300013841085	0	58	0.0	-60.93	416.91	11.49	-49.44
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300013841086	0	61	0.0	-50.12	429.06	12.68	-37.44
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CC1	REAL300013841087	0	61	0.0	-68.96	426.78	12.16	-56.80
O=C([O-])CCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300013841088	0	54	0.0	-61.92	398.80	9.29	-52.63
CC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CC1C(=O)[O-]	REAL300013841089	0	61	0.0	-67.56	428.75	12.27	-55.29
CC(C)(CCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300013841090	0	60	0.0	-62.94	432.08	10.18	-52.76
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300013841091	0	63	0.0	-45.38	439.67	11.14	-34.24
CC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300013841092	0	54	0.0	-65.81	394.97	9.24	-56.57
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300013841093	0	60	0.0	-58.65	434.58	10.44	-48.21
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300013841094	0	58	0.0	-58.55	420.35	10.62	-47.93
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCCC1	REAL300013841095	0	61	0.0	-57.80	437.55	11.36	-46.44
CC1CN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCC1C(=O)[O-]	REAL300013841096	0	61	0.0	-68.52	426.02	12.58	-55.94
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCC1	REAL300013841097	0	58	0.0	-54.37	420.26	10.58	-43.79
O=C([O-])CC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1CC1	REAL300013841098	0	61	0.0	-60.96	444.27	11.31	-49.65
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CC1	REAL300013841099	0	61	0.0	-68.96	426.78	12.16	-56.80
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300013841100	0	58	0.0	-64.60	430.26	11.57	-53.03
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300013841101	0	55	0.0	-62.53	406.95	9.56	-52.97
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300013841102	0	58	0.0	-50.18	412.86	11.83	-38.35
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300013841103	0	58	0.0	-68.69	414.09	11.90	-56.79
O=C([O-])C1CC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300013841104	0	55	0.0	-63.42	404.56	9.88	-53.54
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300013841105	0	55	0.0	-63.68	404.08	9.95	-53.73
O=C([O-])C1=CC(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)=CC=C1	REAL300013841106	0	58	0.0	-73.11	436.64	11.47	-61.64
CCC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300013841107	0	57	0.0	-49.50	417.80	9.96	-39.54
O=C([O-])CCCCCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300013841108	0	63	0.0	-71.49	463.29	11.64	-59.85
CN(CCCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300013841109	0	57	0.0	-62.26	415.87	11.71	-50.55
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300013841110	0	61	0.0	-69.04	428.20	12.56	-56.48
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300013841111	0	61	0.0	-49.79	447.55	11.06	-38.73
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300013841112	0	61	0.0	-46.92	428.63	12.50	-34.42
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300013841113	0	59	0.0	-53.85	422.92	9.35	-44.50
O=C([O-])C12CC(NC(=O)NCC3=CC=CC=C3C[NH+]3CCCCCC3)(C1)C2	REAL300013841114	0	56	0.0	-69.76	414.31	10.10	-59.66
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CC1	REAL300013841115	0	61	0.0	-55.13	434.85	11.60	-43.53
O=C([O-])CC1CCN(C(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CC1	REAL300013841116	0	61	0.0	-61.06	430.90	12.43	-48.63
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300013841117	0	61	0.0	-67.89	442.24	10.79	-57.10
O=C([O-])C1CCCC(NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300013841118	0	61	0.0	-58.44	435.06	11.54	-46.90
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CC([NH2+]C(C)(C)CNC(=O)NCCCC(=O)[O-])C1=CC=CC=C1	REAL300013841561	0	50	0.0	-69.67	380.64	6.43	-63.24
CC([NH2+]C(C)(C)CNC(=O)N1CCC(C)C(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841562	0	57	0.0	-55.87	414.86	9.43	-46.44
CC([NH2+]C(C)(C)CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300013841563	0	58	0.0	-63.15	417.38	6.57	-56.58
CC([NH2+]C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013841564	0	56	0.0	-70.79	413.34	7.30	-63.49
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CC(CNC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300013841566	0	50	0.0	-73.06	376.81	6.38	-66.68
CC(C)C(CNC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300013841567	0	56	0.0	-61.63	409.63	7.69	-53.94
CC([NH2+]C(C)(C)CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300013841568	0	63	0.0	-75.02	449.15	8.57	-66.45
CC([NH2+]C(C)(C)CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300013841569	0	60	0.0	-62.51	449.64	9.79	-52.72
CC([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841570	0	54	0.0	-64.63	398.53	7.38	-57.25
CC([NH2+]C(C)(C)CNC(=O)N1CCC(CCC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013841571	0	60	0.0	-75.09	431.11	10.03	-65.06
CC([NH2+]C(C)(C)CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841572	0	56	0.0	-72.83	411.99	7.22	-65.61
CC([NH2+]C(C)(C)CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013841573	0	57	0.0	-62.50	415.75	8.46	-54.04
CC([NH2+]C(C)(C)CNC(=O)N1CCC(C(=O)[O-])C(C)C1)C1=CC=CC=C1	REAL300013841574	0	57	0.0	-71.36	407.67	9.63	-61.73
CC([NH2+]C(C)(C)CNC(=O)NCC1(C(=O)[O-])CCC1)C1=CC=CC=C1	REAL300013841575	0	54	0.0	-60.32	398.68	7.62	-52.70
CC([NH2+]C(C)(C)CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300013841576	0	57	0.0	-72.59	422.64	8.45	-64.14
CC([NH2+]C(C)(C)CNC(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300013841577	0	57	0.0	-69.28	404.32	8.88	-60.40
CC(C)C[C@H](CNC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)CC(=O)[O-]	REAL300013841578	0	62	0.0	-65.52	453.10	9.00	-56.52
CC([NH2+]C(C)(C)CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300013841579	0	54	0.0	-69.42	408.43	8.23	-61.19
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C1	REAL300013841580	0	58	0.0	-72.40	432.49	7.65	-64.75
CC([NH2+]C(C)(C)CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841581	0	51	0.0	-70.72	382.48	6.60	-64.12
CC([NH2+]C(C)(C)CNC(=O)NC1CCN(CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013841582	0	59	0.0	-73.45	434.80	6.12	-67.33
CC([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841583	0	54	0.0	-77.98	390.56	8.56	-69.42
CC([NH2+]C(C)(C)CNC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841584	0	54	0.0	-56.94	392.46	8.56	-48.38
CC([NH2+]C(C)(C)CNC(=O)NC1CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841585	0	51	0.0	-70.08	382.37	6.98	-63.10
CC([NH2+]C(C)(C)CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841586	0	51	0.0	-73.15	382.00	6.65	-66.50
CC([NH2+]C(C)(C)CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300013841587	0	54	0.0	-76.02	414.89	8.22	-67.80
CCC(CNC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300013841588	0	53	0.0	-63.46	399.63	7.10	-56.36
CC([NH2+]C(C)(C)CNC(=O)N1CCCCC1CCC(=O)[O-])C1=CC=CC=C1	REAL300013841589	0	60	0.0	-79.09	428.93	10.33	-68.76
CC([NH2+]C(C)(C)CNC(=O)NCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300013841590	0	62	0.0	-76.99	466.63	9.56	-67.43
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CC([NH2+]C(C)(C)CNC(=O)N(C)CCCC(=O)[O-])C1=CC=CC=C1	REAL300013841592	0	53	0.0	-72.89	398.26	8.83	-64.06
CC([NH2+]C(C)(C)CNC(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841593	0	57	0.0	-79.84	410.68	9.66	-70.18
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C1	REAL300013841594	0	61	0.0	-83.41	442.20	9.43	-73.98
COCCN(CCC(=O)[O-])C(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1	REAL300013841595	0	57	0.0	-55.70	429.95	8.18	-47.52
CC([NH2+]C(C)(C)CNC(=O)N1CCCC(CCC(=O)[O-])C1)C1=CC=CC=C1	REAL300013841596	0	60	0.0	-79.23	436.17	10.34	-68.89
CC([NH2+]C(C)(C)CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841597	0	58	0.0	-75.37	428.53	11.69	-63.68
CC([NH2+]C(C)(C)CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300013841598	0	55	0.0	-71.99	404.75	7.33	-64.66
CC([NH2+]C(C)(C)CNC(=O)N1CC(C(=O)[O-])CCC1C)C1=CC=CC=C1	REAL300013841599	0	57	0.0	-57.61	410.40	9.47	-48.14
CC([NH2+]C(C)(C)CNC(=O)N1CCCC(O)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841600	0	55	0.0	-76.01	405.43	6.47	-69.54
CC([NH2+]C(C)(C)CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)C1=CC=CC=C1	REAL300013841601	0	58	0.0	-71.31	435.26	9.38	-61.93
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)CC1	REAL300013841602	0	61	0.0	-71.24	436.33	8.01	-63.23
CC([NH2+]C(C)(C)CNC(=O)NC12CC(C(=O)[O-])(C1)C2)C1=CC=CC=C1	REAL300013841603	0	52	0.0	-78.40	395.99	7.26	-71.14
CC([NH2+]C(C)(C)CNC(=O)NCC1(CC(=O)[O-])CCCCC1)C1=CC=CC=C1	REAL300013841604	0	63	0.0	-66.06	438.41	9.17	-56.89
CC([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)C1=CC=CC=C1	REAL300013841605	0	57	0.0	-63.93	413.01	8.26	-55.67
CC([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=CC=C1	REAL300013841606	0	60	0.0	-77.60	437.45	8.93	-68.67
CC([NH2+]C(C)(C)CNC(=O)N1CCC(CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013841607	0	57	0.0	-75.47	408.79	9.25	-66.22
CC([NH2+]C(C)(C)CNC(=O)N1CCC(OCC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013841608	0	58	0.0	-74.55	425.36	8.67	-65.88
CC([NH2+]C(C)(C)CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841609	0	57	0.0	-71.06	416.99	7.91	-63.15
CC([NH2+]C(C)(C)CNC(=O)NC1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841610	0	57	0.0	-71.62	420.64	8.25	-63.37
CC([NH2+]C(C)(C)CNC(=O)NCC1(C(=O)[O-])CCCOC1)C1=CC=CC=C1	REAL300013841611	0	58	0.0	-61.13	422.61	6.68	-54.45
CC([NH2+]C(C)(C)CNC(=O)NCC1(C(=O)[O-])CCOC1)C1=CC=CC=C1	REAL300013841612	0	55	0.0	-59.76	404.44	5.75	-54.01
CC([NH2+]C(C)(C)CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CC=C1	REAL300013841613	0	52	0.0	-71.07	394.24	7.69	-63.38
CC([NH2+]C(C)(C)CNC(=O)NCC1(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300013841614	0	51	0.0	-57.61	382.57	7.24	-50.37
CC([NH2+]C(C)(C)CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)C1=CC=CC=C1	REAL300013841615	0	58	0.0	-63.96	420.51	9.72	-54.24
CC([NH2+]C(C)(C)CNC(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841616	0	55	0.0	-79.51	403.71	8.14	-71.37
CC([NH2+]C(C)(C)CNC(=O)N1CC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841617	0	48	0.0	-62.58	363.15	6.99	-55.59
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)(C)[NH2+]C(C)C2=CC=CC=C2)C1	REAL300013841618	0	58	0.0	-57.17	422.80	7.61	-49.56
CC([NH2+]C(C)(C)CNC(=O)N1CCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300013841619	0	51	0.0	-73.54	381.90	8.04	-65.50
CC([NH2+]C(C)(C)CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=CC=C1	REAL300013841620	0	52	0.0	-77.58	396.68	7.77	-69.81
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CC([NH2+]C1(CNC(=O)N2CCC(C(=O)[O-])CC2)CCCC1)C1=CC=CC=C1	REAL300013841622	0	58	0.0	-72.60	418.97	9.96	-62.64
CC([NH2+]C1(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CCCC1)C1=CC=CC=C1	REAL300013841623	0	58	0.0	-77.59	441.55	9.51	-68.08
CC([NH2+]C1(CNC(=O)N2CCOC(C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841624	0	56	0.0	-79.24	410.56	8.34	-70.90
CC([NH2+]C1(CNC(=O)NC2CCC(C(=O)[O-])CC2)CCCC1)C1=CC=CC=C1	REAL300013841625	0	61	0.0	-79.52	444.18	9.20	-70.32
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CC([NH2+]C1(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CCCC1)C1=CC=CC=C1	REAL300013841633	0	61	0.0	-73.00	430.89	10.13	-62.87
CC([NH2+]C1(CNC(=O)NCCCC(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013841634	0	54	0.0	-70.26	403.79	7.41	-62.85
CC([NH2+]C1(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841635	0	61	0.0	-55.58	429.35	10.12	-45.46
CC([NH2+]C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013841636	0	60	0.0	-71.24	437.08	8.29	-62.95
CCC(CC)(CNC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300013841637	0	63	0.0	-61.83	449.38	9.09	-52.74
CC(CNC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300013841638	0	54	0.0	-74.32	401.65	7.40	-66.92
CC(C)C(CNC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300013841639	0	60	0.0	-62.88	439.58	8.57	-54.31
CC([NH2+]C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841640	0	58	0.0	-66.06	417.87	8.53	-57.53
CC([NH2+]C1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCCC1)C1=CC=CC=C1	REAL300013841641	0	61	0.0	-62.46	442.24	9.46	-53.00
CC([NH2+]C1(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)CCCC1)C1=CC=CC=C1	REAL300013841642	0	61	0.0	-72.02	430.86	10.61	-61.41
CC([NH2+]C1(CNC(=O)NCC2(C(=O)[O-])CCC2)CCCC1)C1=CC=CC=C1	REAL300013841643	0	58	0.0	-60.31	424.27	8.76	-51.55
CC([NH2+]C1(CNC(=O)NCC(CC(=O)[O-])C2CC2)CCCC1)C1=CC=CC=C1	REAL300013841644	0	61	0.0	-73.62	449.16	9.38	-64.24
CC([NH2+]C1(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CCCC1)C1=CC=CC=C1	REAL300013841645	0	61	0.0	-73.00	430.89	10.13	-62.87
CC([NH2+]C1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013841646	0	58	0.0	-68.24	435.16	9.62	-58.62
CC([NH2+]C1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841647	0	55	0.0	-70.62	408.53	7.97	-62.65
CC([NH2+]C1(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841648	0	58	0.0	-76.00	409.81	9.75	-66.25
CC([NH2+]C1(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841649	0	58	0.0	-76.77	410.97	9.80	-66.97
CC([NH2+]C1(CNC(=O)NC2CC(C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841650	0	55	0.0	-71.17	409.25	7.97	-63.20
CC([NH2+]C1(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841651	0	55	0.0	-71.69	401.81	7.90	-63.79
CC([NH2+]C1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCCC1)C1=CC=CC=C1	REAL300013841652	0	58	0.0	-77.06	441.55	9.50	-67.56
CCC(CNC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300013841653	0	57	0.0	-63.52	422.79	8.07	-55.45
CC([NH2+]C1(CNC(=O)NCCCCCCC(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013841654	0	63	0.0	-78.59	468.28	9.75	-68.84
CC([NH2+]C1(CNC(=O)N(C)CCCC(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013841655	0	57	0.0	-75.52	421.42	9.80	-65.72
CC([NH2+]C1(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841656	0	61	0.0	-80.17	433.56	10.63	-69.54
COCCN(CCC(=O)[O-])C(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300013841657	0	61	0.0	-53.79	453.10	9.16	-44.63
CC([NH2+]C1(CNC(=O)N2CC(C(=O)[O-])CCC2C)CCCC1)C1=CC=CC=C1	REAL300013841658	0	61	0.0	-56.03	433.68	10.46	-45.57
CC([NH2+]C1(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841659	0	59	0.0	-57.41	427.80	7.43	-49.98
CC([NH2+]C1(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CCCC1)C1=CC=CC=C1	REAL300013841660	0	56	0.0	-79.02	418.99	8.20	-70.82
CC([NH2+]C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CCCC1)C1=CC=CC=C1	REAL300013841661	0	61	0.0	-67.26	437.17	9.73	-57.53
CC([NH2+]C1(CNC(=O)N2CCC(CC(=O)[O-])CC2)CCCC1)C1=CC=CC=C1	REAL300013841662	0	61	0.0	-76.56	435.96	10.57	-65.99
CC([NH2+]C1(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841663	0	61	0.0	-71.72	436.81	9.06	-62.66
CC([NH2+]C1(CNC(=O)NC2CCCC(C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841664	0	61	0.0	-69.41	439.22	9.62	-59.79
CC([NH2+]C1(CNC(=O)NCC2(C(=O)[O-])CCOC2)CCCC1)C1=CC=CC=C1	REAL300013841665	0	59	0.0	-60.58	430.93	6.74	-53.84
CC([NH2+]C1(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCC1)C1=CC=CC=C1	REAL300013841666	0	56	0.0	-69.47	413.33	8.56	-60.91
CC([NH2+]C1(CNC(=O)NCC2(C(=O)[O-])CC2)CCCC1)C1=CC=CC=C1	REAL300013841667	0	55	0.0	-58.37	409.43	8.35	-50.02
CC([NH2+]C1(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CCCC1)C1=CC=CC=C1	REAL300013841668	0	62	0.0	-63.78	446.02	10.68	-53.10
CC([NH2+]C1(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841669	0	59	0.0	-79.74	426.01	9.23	-70.51
CC([NH2+]C1(CNC(=O)N2CC(C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841670	0	52	0.0	-65.03	390.03	8.17	-56.86
CC([NH2+]C1(CNC(=O)N2CCC(C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013841671	0	55	0.0	-74.10	404.37	9.09	-65.01
CC([NH2+]C1(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCC1)C1=CC=CC=C1	REAL300013841672	0	56	0.0	-76.83	412.30	8.57	-68.26
CC(CCC(=O)[O-])NC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1	REAL300013841673	0	57	0.0	-68.26	423.54	8.42	-59.84
CCC(CC)(CNC(=O)N1CCC(C(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841674	0	60	0.0	-68.66	423.35	10.00	-58.66
CCC(CC)(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841675	0	60	0.0	-75.80	439.76	9.22	-66.58
CCC(CC)(CNC(=O)N1CCOC(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841676	0	58	0.0	-61.91	411.46	8.30	-53.61
CCC(CC)(CNC(=O)NC1CCC(C(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841677	0	63	0.0	-62.64	441.78	9.40	-53.24
CCC(CC)(CNC(=O)NCCCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013841678	0	59	0.0	-74.76	431.08	8.33	-66.43
CCC(CC)(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841679	0	60	0.0	-75.44	447.32	9.66	-65.78
CCC(CC)(CNC(=O)NCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013841680	0	53	0.0	-70.36	388.08	6.76	-63.60
CCC(CC)(CNC(=O)NCCCCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013841681	0	62	0.0	-73.30	452.58	9.12	-64.18
CCC(CC)(CNC(=O)NCC(C)(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013841682	0	59	0.0	-73.88	418.90	8.15	-65.73
CCC(CC)(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841683	0	60	0.0	-74.78	430.73	9.62	-65.16
CCC(CC)(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841684	0	63	0.0	-60.77	432.36	10.37	-50.40
CCC(CC)(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841685	0	63	0.0	-71.34	437.38	10.35	-60.99
CCC(CC)(CNC(=O)NCCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013841686	0	56	0.0	-68.01	409.58	7.55	-60.46
CCC(CC)(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841687	0	63	0.0	-60.37	438.18	10.39	-49.98
CCC(CC)(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013841688	0	62	0.0	-68.95	442.87	8.44	-60.51
CCC(CC)(CNC(=O)NCC(CC)(CC)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013841689	0	65	0.0	-60.15	447.92	9.48	-50.67
CCC(CC)(CNC(=O)NCC(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013841690	0	56	0.0	-72.12	405.76	7.50	-64.62
CCC(CC)(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300013841691	0	62	0.0	-61.94	445.37	8.70	-53.24
CCC(CC)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841692	0	60	0.0	-66.31	425.63	8.80	-57.51
CCC(CC)(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841693	0	63	0.0	-61.73	440.47	9.18	-52.55
CCC(CC)(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841694	0	63	0.0	-71.37	431.83	10.57	-60.80
CCC(CC)(CNC(=O)NCC1(C(=O)[O-])CCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841695	0	60	0.0	-57.87	430.93	8.77	-49.10
CCC(CC)(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841696	0	63	0.0	-70.32	452.09	9.25	-61.07
CCC(CC)(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841697	0	63	0.0	-71.34	437.38	10.35	-60.99
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013841698	0	60	0.0	-66.51	440.93	9.78	-56.73
CCC(CC)(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841699	0	57	0.0	-69.08	406.56	7.98	-61.10
CCC(CC)(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841700	0	60	0.0	-76.32	418.63	9.83	-66.49
CCC(CC)(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841701	0	60	0.0	-54.02	424.65	10.07	-43.95
CCC(CC)(CNC(=O)NC1CC(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841702	0	57	0.0	-67.70	410.90	7.75	-59.95
CCC(CC)(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841703	0	57	0.0	-71.37	407.83	7.98	-63.39
CCC(CC)(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841704	0	60	0.0	-75.44	447.32	9.66	-65.78
CCC(CNC(=O)NCC(CC)(CC)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300013841705	0	59	0.0	-59.45	423.32	8.41	-51.04
CCC(CC)(CNC(=O)NCCCCCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013841706	0	65	0.0	-76.99	474.08	9.90	-67.09
CCC(CC)(CNC(=O)N(C)CCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013841707	0	59	0.0	-72.28	427.21	9.97	-62.31
CCC(CC)(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841708	0	63	0.0	-54.15	438.83	10.81	-43.34
CCC(CC)(CNC(=O)N(CCOC)CCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013841709	0	63	0.0	-54.11	454.87	9.20	-44.91
CCC(CC)(CNC(=O)N1CC(C(=O)[O-])CCC1C)[NH2+]C(C)C1=CC=CC=C1	REAL300013841710	0	63	0.0	-53.79	440.58	10.64	-43.15
CCC(CC)(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841711	0	61	0.0	-73.33	433.56	7.64	-65.69
CCC(CC)(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[NH2+]C(C)C1=CC=CC=C1	REAL300013841712	0	58	0.0	-78.01	424.76	8.37	-69.64
CCC(CC)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841713	0	63	0.0	-67.71	437.97	9.35	-58.36
CCC(CC)(CNC(=O)N1CCC(CC(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841714	0	63	0.0	-74.78	441.67	10.71	-64.07
CCC(CC)(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841715	0	63	0.0	-69.85	441.88	8.90	-60.95
CCC(CC)(CNC(=O)NC1CCCC(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841716	0	63	0.0	-69.79	441.87	8.90	-60.89
CCC(CC)(CNC(=O)NCC1(C(=O)[O-])CCOC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841717	0	61	0.0	-57.63	436.70	6.90	-50.73
CCC(CC)(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH2+]C(C)C1=CC=CC=C1	REAL300013841718	0	58	0.0	-69.02	426.69	8.84	-60.18
CCC(CC)(CNC(=O)NCC1(C(=O)[O-])CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841719	0	57	0.0	-54.91	414.83	8.40	-46.51
CCC(CC)(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841720	0	61	0.0	-77.56	431.86	9.34	-68.22
CCC(CC)(CNC(=O)N1CC(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841721	0	54	0.0	-63.17	395.58	8.43	-54.74
CCC(CC)(CNC(=O)N1CCC(C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013841722	0	57	0.0	-71.98	404.82	9.02	-62.96
CCC(CC)(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[NH2+]C(C)C1=CC=CC=C1	REAL300013841723	0	58	0.0	-76.93	425.77	8.87	-68.06
CCC(CC)(CNC(=O)NC(C)CCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013841724	0	59	0.0	-66.80	425.30	8.48	-58.32
O=C([O-])C[NH+]1CCC(NC(=O)NCCN2C(=O)CNC2=O)CC1	REAL300013841749	1	44	0.0	-48.60	354.64	1.21	-47.39
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCCC2OC2=CC=CC=C2)CC1	REAL300013841818	1	56	0.0	-36.73	417.16	8.84	-27.89
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCSCC2)CC1	REAL300013841878	1	46	0.0	-37.14	354.59	6.40	-30.74
O=C([O-])C[NH+]1CCC(NC(=O)NCCC(=O)NC2=CC=CC=C2)CC1	REAL300013841997	1	49	0.0	-45.56	387.76	5.25	-40.31
N#CCOC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013842072	1	47	0.0	-42.76	383.86	6.28	-36.48
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=NC(OC3CCOCC3)=C2)CC1	REAL300013842147	1	56	0.0	-38.37	434.41	4.33	-34.04
CN(C)C(=O)C1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCC1	REAL300013842263	1	55	0.0	-38.48	401.86	5.56	-32.92
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C(F)C=C2Cl)CC1	REAL300013842337	1	45	0.0	-42.40	374.81	7.53	-34.87
CC(CS(C)(=O)=O)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013842451	1	44	0.0	-44.84	353.77	2.17	-42.67
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O=C([O-])[C@H]1CCCN(C(=O)NC2CC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)C1	REAL300013843644	1	52	0.0	-89.55	412.40	10.43	-79.12
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O=C([O-])C1CC(NC(=O)NC2CC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)C1	REAL300013843645	1	49	0.0	-81.23	403.13	8.50	-72.73
O=C([O-])[C@H]1C[C@H](NC(=O)NC2CC[N@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)C1	REAL300013843646	0	49	0.0	-82.96	400.96	8.40	-74.56
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CCC(CNC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300013843647	1	51	0.0	-71.29	411.37	8.65	-62.64
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O=C([O-])C1CCN(C(=O)NC2CC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)C1	REAL300013843653	1	49	0.0	-85.24	399.20	9.52	-75.72
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1CC[N@H+](CC3=CC=C(C(F)(F)F)C=C3)C1)C2	REAL300013843654	0	50	0.0	-88.67	414.01	9.23	-79.44
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NC1CC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)C1)C2	REAL300013843654	1	50	0.0	-88.23	413.28	9.18	-79.05
CC(CCC(=O)[O-])NC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300013843655	0	51	0.0	-78.58	418.66	8.98	-69.60
CC(CCC(=O)[O-])NC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300013843655	1	51	0.0	-77.19	415.39	8.80	-68.39
COCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C(F)=C1	REAL300013843799	1	49	0.0	-38.18	394.43	6.46	-31.72
CC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCCC2=CC=CC=C21	REAL300013843890	1	55	0.0	-37.17	403.25	9.15	-28.02
CN(C)C(=O)C1CCC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)O1	REAL300013843965	1	53	0.0	-43.53	403.96	4.78	-38.75
O=C([O-])C1CCN(C(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CC1	REAL300013844007	0	59	0.0	-74.65	446.50	10.48	-64.17
O=C([O-])C1CN(C(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCO1	REAL300013844008	0	57	0.0	-69.38	437.91	9.14	-60.24
O=C([O-])CCCCNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013844009	0	58	0.0	-77.36	452.60	9.00	-68.36
O=C([O-])CCNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013844010	0	52	0.0	-75.03	409.61	7.42	-67.61
O=C([O-])CCCCCNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013844011	0	61	0.0	-76.38	474.10	9.78	-66.60
CC(C)(CNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013844012	0	58	0.0	-77.43	444.46	8.88	-68.55
CC1(C(=O)[O-])CCN(C(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013844013	0	59	0.0	-80.17	449.11	10.33	-69.84
O=C([O-])CCCNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013844014	0	55	0.0	-73.02	431.10	8.22	-64.80
CC(C)(CCNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013844015	0	61	0.0	-73.78	463.81	9.08	-64.70
CC(CNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013844016	0	55	0.0	-75.81	427.28	8.16	-67.65
CC(C)C(CNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013844017	0	61	0.0	-70.51	460.63	9.49	-61.02
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013844018	0	59	0.0	-73.01	452.85	9.49	-63.52
O=C([O-])C1(CNC(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCC1	REAL300013844019	0	59	0.0	-69.70	452.49	9.41	-60.29
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013844020	0	56	0.0	-72.55	437.97	8.58	-63.97
O=C([O-])[C@@H]1CCCN(C(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013844021	0	59	0.0	-67.27	445.05	10.66	-56.61
O=C([O-])[C@H]1CCCN(C(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013844022	0	59	0.0	-79.46	445.60	10.70	-68.76
O=C([O-])C1CC(NC(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013844023	0	56	0.0	-73.73	436.57	8.77	-64.96
O=C([O-])[C@H]1C[C@H](NC(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013844024	0	56	0.0	-74.96	436.05	8.82	-66.14
CCC(CNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013844025	0	58	0.0	-71.70	450.11	8.88	-62.82
CN(CCCC(=O)[O-])C(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013844026	0	58	0.0	-77.98	448.73	10.60	-67.38
O=C([O-])C12CC(NC(=O)NCCC3=CC=C(OCC[NH+]4CCCC4)C=C3)(C1)C2	REAL300013844027	0	57	0.0	-78.39	446.32	9.00	-69.39
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCCC1=CC=C(OCC[NH+]3CCCC3)C=C1)C2	REAL300013844028	0	57	0.0	-75.05	447.73	9.50	-65.55
O=C([O-])C1(CNC(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CC1	REAL300013844029	0	56	0.0	-68.79	436.75	9.14	-59.65
O=C([O-])C1CN(C(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013844030	0	53	0.0	-69.82	417.13	9.07	-60.75
O=C([O-])C1CCN(C(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013844031	0	56	0.0	-75.58	432.23	9.79	-65.79
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCCC1=CC=C(OCC[NH+]3CCCC3)C=C1)C2	REAL300013844032	0	57	0.0	-78.28	446.99	9.51	-68.77
CC(CCC(=O)[O-])NC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013844033	0	58	0.0	-71.88	450.86	9.22	-62.66
CC1C[NH+](CCOC2=CC=C(CCNC(=O)NCCC(=O)[O-])C=C2)CC1C	REAL300013844034	0	58	0.0	-74.89	446.70	8.29	-66.60
CC1C[NH+](CCOC2=CC=C(CCNC(=O)NCCCC(=O)[O-])C=C2)CC1C	REAL300013844035	0	61	0.0	-72.87	468.20	9.08	-63.79
CC(CNC(=O)NCCC1=CC=C(OCC[NH+]2CC(C)C(C)C2)C=C1)C(=O)[O-]	REAL300013844036	0	61	0.0	-75.74	464.36	9.02	-66.72
CC1C[NH+](CCOC2=CC=C(CCNC(=O)N3CC(C(=O)[O-])C3)C=C2)CC1C	REAL300013844037	0	59	0.0	-70.45	452.27	10.10	-60.35
COC1=CC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1F	REAL300013844068	1	49	0.0	-46.15	390.37	6.41	-39.74
COC1CCCC1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013844122	1	49	0.0	-36.51	371.21	4.99	-31.52
CCC(CSC)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013844187	1	45	0.0	-34.94	351.40	5.81	-29.13
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COC(C1=CC=CC=C1F)C(C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013844754	1	52	0.0	-37.04	406.24	6.97	-30.07
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013844796	0	51	0.0	-76.40	384.85	10.00	-66.40
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013844796	1	51	0.0	-77.93	384.88	9.99	-67.94
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013844797	0	51	0.0	-80.65	409.04	9.67	-70.98
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013844797	1	51	0.0	-79.71	409.04	9.66	-70.05
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013844798	0	49	0.0	-82.76	378.11	8.47	-74.29
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013844798	1	49	0.0	-81.37	378.25	8.54	-72.83
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013844799	0	54	0.0	-80.97	411.76	9.37	-71.60
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013844799	1	54	0.0	-71.31	405.86	9.72	-61.59
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCC(=O)[O-]	REAL300013844800	0	50	0.0	-78.05	392.86	8.37	-69.68
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCC(=O)[O-]	REAL300013844800	1	50	0.0	-79.46	392.72	8.35	-71.11
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013844801	0	51	0.0	-79.83	409.13	9.69	-70.14
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013844801	1	51	0.0	-80.97	408.99	9.66	-71.31
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013844802	0	53	0.0	-76.76	414.36	9.16	-67.60
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCC(=O)[O-]	REAL300013844802	1	53	0.0	-78.14	414.22	9.13	-69.01
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013844803	0	50	0.0	-78.34	384.72	8.27	-70.07
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CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013844804	0	51	0.0	-79.69	389.36	9.69	-70.00
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013844804	1	51	0.0	-79.92	392.07	9.61	-70.31
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013844805	0	54	0.0	-82.50	406.03	10.59	-71.91
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013844805	1	54	0.0	-82.94	406.55	10.60	-72.34
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013844806	0	54	0.0	-77.43	399.09	10.35	-67.08
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013844806	1	54	0.0	-79.89	398.34	10.26	-69.63
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013844807	0	47	0.0	-72.33	371.37	7.59	-64.74
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013844807	1	47	0.0	-73.31	371.22	7.57	-65.74
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013844808	0	54	0.0	-62.72	404.80	10.55	-52.17
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013844808	1	54	0.0	-58.27	401.40	10.52	-47.75
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013844809	0	55	0.0	-63.04	411.32	7.73	-55.31
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013844809	1	55	0.0	-67.34	411.31	7.73	-59.61
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013844810	0	53	0.0	-73.43	404.07	8.47	-64.96
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013844810	1	53	0.0	-74.36	403.93	8.44	-65.92
CCC(CC)(CNC(=O)NC(C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013844811	0	56	0.0	-66.72	416.96	9.28	-57.44
CCC(CC)(CNC(=O)NC(C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013844811	1	56	0.0	-63.59	416.82	9.24	-54.35
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)C(=O)[O-]	REAL300013844812	0	47	0.0	-76.43	369.22	7.59	-68.84
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)C(=O)[O-]	REAL300013844812	1	47	0.0	-77.27	369.08	7.56	-69.71
CC(C)C(CNC(=O)NC(C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013844813	0	53	0.0	-62.80	401.90	8.85	-53.95
CC(C)C(CNC(=O)NC(C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013844813	1	53	0.0	-61.76	401.76	8.81	-52.95
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013844814	0	60	0.0	-81.14	447.29	10.59	-70.55
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013844814	1	60	0.0	-81.26	445.37	10.20	-71.06
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013844815	0	57	0.0	-63.63	436.29	11.12	-52.51
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013844815	1	57	0.0	-62.67	436.19	11.08	-51.59
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013844816	0	51	0.0	-72.84	392.87	8.89	-63.95
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013844816	1	51	0.0	-72.50	392.78	8.88	-63.62
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013844817	0	57	0.0	-80.14	425.70	11.49	-68.65
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013844817	1	57	0.0	-79.56	425.73	11.48	-68.08
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013844818	0	53	0.0	-77.29	402.92	8.29	-69.00
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013844818	1	53	0.0	-76.78	402.42	8.32	-68.46
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013844819	0	54	0.0	-62.52	409.69	9.62	-52.90
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013844819	1	54	0.0	-66.75	409.68	9.62	-57.13
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013844820	0	54	0.0	-77.61	398.44	10.75	-66.86
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013844820	1	54	0.0	-75.26	398.59	10.81	-64.45
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013844821	0	51	0.0	-60.75	391.71	8.92	-51.83
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013844821	1	51	0.0	-64.29	392.61	8.77	-55.52
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013844822	0	54	0.0	-78.35	416.78	9.55	-68.80
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013844822	1	54	0.0	-75.19	416.73	9.55	-65.64
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013844823	0	54	0.0	-77.43	399.09	10.35	-67.08
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013844823	1	54	0.0	-79.89	398.34	10.26	-69.63
CC(C)C[C@H](CNC(=O)NC(C)C[N@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013844824	0	59	0.0	-74.99	437.79	9.95	-65.04
CC(C)C[C@H](CNC(=O)NC(C)C[N@@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013844824	1	59	0.0	-70.82	437.74	9.95	-60.87
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013844825	0	51	0.0	-71.74	402.69	9.81	-61.93
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013844825	1	51	0.0	-69.34	402.63	9.77	-59.57
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300013844826	0	55	0.0	-80.42	420.57	9.55	-70.87
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300013844826	1	55	0.0	-76.00	422.94	8.72	-67.28
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013844827	0	48	0.0	-73.31	376.72	8.13	-65.18
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013844827	1	48	0.0	-73.67	376.42	8.11	-65.56
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013844828	0	56	0.0	-78.91	424.41	7.17	-71.74
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013844828	1	56	0.0	-75.71	424.84	7.24	-68.47
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013844829	0	51	0.0	-82.34	385.25	10.00	-72.34
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013844829	1	51	0.0	-81.41	384.37	9.97	-71.44
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013844830	0	51	0.0	-62.57	386.45	10.06	-52.51
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013844830	1	51	0.0	-82.78	386.30	10.07	-72.71
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC1CC(C(=O)[O-])C1	REAL300013844831	0	48	0.0	-73.27	376.89	8.16	-65.11
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC1CC(C(=O)[O-])C1	REAL300013844831	1	48	0.0	-73.04	376.77	8.10	-64.94
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013844832	0	48	0.0	-75.40	376.65	8.19	-67.21
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013844832	1	48	0.0	-76.02	376.51	8.17	-67.85
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013844833	0	51	0.0	-79.83	409.13	9.69	-70.14
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013844833	1	51	0.0	-80.97	408.99	9.66	-71.31
CCC(CNC(=O)NC(C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013844834	0	50	0.0	-66.95	390.36	8.26	-58.69
CCC(CNC(=O)NC(C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013844834	1	50	0.0	-67.61	390.23	8.22	-59.39
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013844835	0	57	0.0	-81.84	419.30	11.44	-70.40
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013844835	1	57	0.0	-82.50	418.95	11.35	-71.15
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013844836	0	59	0.0	-78.92	457.36	10.72	-68.20
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013844836	1	59	0.0	-80.47	457.22	10.69	-69.78
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013844837	0	56	0.0	-79.81	435.86	9.94	-69.87
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013844837	1	56	0.0	-81.39	435.72	9.91	-71.48
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CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N(C)CCCC(=O)[O-]	REAL300013844838	1	50	0.0	-76.85	388.85	9.94	-66.91
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CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013844839	1	54	0.0	-60.44	400.81	10.83	-49.61
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COCC1(C(=O)[O-])CCCN(C(=O)NC(C)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300013844840	1	58	0.0	-85.76	433.03	9.98	-75.78
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CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013844843	1	55	0.0	-75.05	419.05	12.52	-62.53
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013844844	0	52	0.0	-70.86	397.87	8.71	-62.15
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013844844	1	52	0.0	-75.44	398.20	8.73	-66.71
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013844845	0	54	0.0	-59.76	401.11	10.59	-49.17
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013844845	1	54	0.0	-61.74	401.50	10.60	-51.14
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013844846	0	58	0.0	-66.59	446.88	12.62	-53.97
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013844846	1	58	0.0	-66.82	448.58	12.69	-54.13
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013844847	0	52	0.0	-80.51	395.41	7.57	-72.94
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013844847	1	52	0.0	-78.77	395.64	7.65	-71.12
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013844848	0	55	0.0	-77.85	431.67	10.90	-66.95
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013844848	1	55	0.0	-75.29	429.43	10.79	-64.50
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013844849	0	58	0.0	-81.82	437.31	9.87	-71.95
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013844849	1	58	0.0	-91.31	437.30	9.87	-81.44
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C[N@H+](C)CC2=CC=CC=C2)CC1	REAL300013844850	0	58	0.0	-81.28	429.29	10.21	-71.07
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C[N@@H+](C)CC2=CC=CC=C2)CC1	REAL300013844850	1	58	0.0	-80.30	429.61	10.26	-70.04
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013844851	0	49	0.0	-82.00	386.49	8.36	-73.64
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013844851	1	49	0.0	-82.08	386.43	8.36	-73.72
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013844852	0	60	0.0	-72.20	432.51	10.40	-61.80
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013844852	1	60	0.0	-69.60	432.34	10.35	-59.25
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013844853	0	54	0.0	-69.10	407.22	9.80	-59.30
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013844853	1	54	0.0	-69.28	405.87	9.73	-59.55
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013844854	0	57	0.0	-79.81	430.10	10.05	-69.76
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013844854	1	57	0.0	-80.64	431.37	10.08	-70.56
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013844855	0	54	0.0	-79.67	403.39	10.71	-68.96
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013844855	1	54	0.0	-71.15	403.41	10.70	-60.45
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013844856	0	55	0.0	-80.21	419.92	10.09	-70.12
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013844856	1	55	0.0	-82.36	419.95	10.08	-72.28
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013844857	0	54	0.0	-74.89	411.23	9.36	-65.53
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013844857	1	54	0.0	-75.96	411.08	9.33	-66.63
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013844858	0	54	0.0	-74.36	411.10	9.33	-65.03
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013844858	1	54	0.0	-72.39	407.23	9.77	-62.62
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013844859	0	55	0.0	-61.20	413.57	7.94	-53.26
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013844859	1	55	0.0	-66.08	416.43	8.21	-57.87
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013844860	0	52	0.0	-66.19	398.37	6.90	-59.29
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013844860	1	52	0.0	-62.42	398.37	6.90	-55.52
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013844861	0	49	0.0	-73.83	388.31	8.87	-64.96
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013844861	1	49	0.0	-73.02	388.21	8.84	-64.18
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CC1	REAL300013844862	0	48	0.0	-59.72	376.87	8.51	-51.21
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CC1	REAL300013844862	1	48	0.0	-61.29	376.51	8.39	-52.90
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013844863	0	55	0.0	-66.70	413.53	10.83	-55.87
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013844863	1	55	0.0	-68.09	414.71	10.87	-57.22
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013844864	0	51	0.0	-69.74	405.31	9.90	-59.84
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013844864	1	51	0.0	-69.33	405.16	9.89	-59.44
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013844865	0	52	0.0	-82.10	393.41	9.25	-72.85
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013844865	1	52	0.0	-83.36	393.58	9.26	-74.10
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N1CC(C(=O)[O-])C1	REAL300013844866	0	45	0.0	-69.36	357.52	8.33	-61.03
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CCCC[N@@H+](C)CC(C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013846353	1	50	0.0	-78.20	393.06	8.28	-69.92
CCCC[N@H+](C)CC(C)NC(=O)NCCCCCC(=O)[O-]	REAL300013846354	0	52	0.0	-74.63	398.39	7.75	-66.88
CCCC[N@@H+](C)CC(C)NC(=O)NCCCCCC(=O)[O-]	REAL300013846354	1	52	0.0	-74.78	398.29	7.74	-67.04
CCCC[N@H+](C)CC(C)NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013846355	0	60	0.0	-76.87	445.14	12.06	-64.81
CCCC[N@@H+](C)CC(C)NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013846355	1	60	0.0	-74.02	441.46	11.70	-62.32
CCCC[N@H+](C)CC(C)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013846356	0	53	0.0	-57.34	390.72	9.21	-48.13
CCCC[N@@H+](C)CC(C)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013846356	1	53	0.0	-58.10	390.11	9.15	-48.95
CCCC[N@H+](C)CC(C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013846357	0	53	0.0	-77.42	381.53	8.82	-68.60
CCCC[N@@H+](C)CC(C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013846357	1	53	0.0	-75.94	383.15	8.95	-66.99
CCCC[N@H+](C)CC(C)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013846358	0	53	0.0	-55.51	385.40	9.11	-46.40
CCCC[N@@H+](C)CC(C)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013846358	1	53	0.0	-81.03	388.76	9.18	-71.85
CCCC[N@H+](C)CC(C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013846359	0	54	0.0	-57.62	396.47	6.16	-51.46
CCCC[N@@H+](C)CC(C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013846359	1	54	0.0	-56.82	396.38	6.14	-50.68
CCCC[N@H+](C)CC(C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013846360	0	52	0.0	-70.80	388.68	7.07	-63.73
CCCC[N@@H+](C)CC(C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013846360	1	52	0.0	-70.95	388.57	7.07	-63.88
CCCC[N@H+](C)CC(C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013846361	0	55	0.0	-58.46	398.16	8.14	-50.32
CCCC[N@@H+](C)CC(C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013846361	1	55	0.0	-59.98	400.88	7.86	-52.12
CCCC[N@H+](C)CC(C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013846362	0	52	0.0	-62.95	385.92	7.44	-55.51
CCCC[N@@H+](C)CC(C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013846362	1	52	0.0	-61.15	391.08	7.33	-53.82
CCCC[N@H+](C)CC(C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013846363	0	59	0.0	-80.26	429.36	8.79	-71.47
CCCC[N@@H+](C)CC(C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013846363	1	59	0.0	-77.28	428.75	8.73	-68.55
CCCC[N@H+](C)CC(C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013846364	0	56	0.0	-63.49	420.36	9.71	-53.78
CCCC[N@@H+](C)CC(C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013846364	1	56	0.0	-59.00	420.25	9.70	-49.30
CCCC[N@H+](C)CC(C)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013846365	0	56	0.0	-76.41	409.80	10.06	-66.35
CCCC[N@@H+](C)CC(C)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013846365	1	56	0.0	-76.98	409.71	10.07	-66.91
CCCC[N@H+](C)CC(C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013846366	0	52	0.0	-72.41	386.94	6.89	-65.52
CCCC[N@@H+](C)CC(C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013846366	1	52	0.0	-73.14	386.93	6.92	-66.22
CCCC[N@H+](C)CC(C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013846367	0	53	0.0	-63.92	393.75	8.20	-55.72
CCCC[N@@H+](C)CC(C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013846367	1	53	0.0	-64.23	393.75	8.23	-56.00
CCCC[N@H+](C)CC(C)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013846368	0	53	0.0	-73.71	382.59	9.40	-64.31
CCCC[N@@H+](C)CC(C)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013846368	1	53	0.0	-75.21	382.41	9.37	-65.84
CCCC[N@H+](C)CC(C)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013846369	0	53	0.0	-70.77	400.81	8.15	-62.62
CCCC[N@@H+](C)CC(C)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013846369	1	53	0.0	-75.35	400.81	8.14	-67.21
CCCC[N@H+](C)CC(C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013846370	0	53	0.0	-77.42	381.53	8.82	-68.60
CCCC[N@@H+](C)CC(C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013846370	1	53	0.0	-75.94	383.15	8.95	-66.99
CCCC[N@H+](C)CC(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013846371	0	58	0.0	-73.17	421.21	8.53	-64.64
CCCC[N@@H+](C)CC(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013846371	1	58	0.0	-67.41	427.20	8.77	-58.64
CCCC[N@H+](C)CC(C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013846372	0	50	0.0	-70.15	386.66	8.37	-61.78
CCCC[N@@H+](C)CC(C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013846372	1	50	0.0	-70.64	386.66	8.40	-62.24
CCCC[N@H+](C)CC(C)NC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013846373	0	54	0.0	-78.86	407.11	7.37	-71.49
CCCC[N@@H+](C)CC(C)NC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013846373	1	54	0.0	-72.43	407.02	7.35	-65.08
CCCC[N@H+](C)CC(C)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013846374	0	55	0.0	-74.14	408.63	5.80	-68.34
CCCC[N@@H+](C)CC(C)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013846374	1	55	0.0	-73.52	408.80	5.79	-67.73
CCCC[N@H+](C)CC(C)NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013846375	0	60	0.0	-61.09	452.66	9.96	-51.13
CCCC[N@@H+](C)CC(C)NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013846375	1	60	0.0	-61.65	452.36	9.90	-51.75
CCCC[N@H+](C)CC(C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013846376	0	50	0.0	-73.47	393.16	8.28	-65.19
CCCC[N@@H+](C)CC(C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013846376	1	50	0.0	-78.20	393.06	8.28	-69.92
CCCC[N@H+](C)CC(C)NC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013846377	0	60	0.0	-61.62	448.86	9.95	-51.67
CCCC[N@@H+](C)CC(C)NC(=O)N1CC(C(=O)[O-])C2(CC(C(=O)OC)C2)C1	REAL300013846377	1	60	0.0	-68.28	453.59	10.11	-58.17
CCCC[N@H+](C)CC(C)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013846378	0	56	0.0	-81.06	403.12	9.98	-71.08
CCCC[N@@H+](C)CC(C)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013846378	1	56	0.0	-80.37	402.98	10.00	-70.37
CCCC[N@H+](C)CC(C)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013846379	0	58	0.0	-77.02	441.39	9.31	-67.71
CCCC[N@@H+](C)CC(C)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013846379	1	58	0.0	-77.13	441.28	9.31	-67.82
CCCC[N@H+](C)CC(C)NC(=O)NCCCCCCC(=O)[O-]	REAL300013846380	0	55	0.0	-78.08	419.89	8.53	-69.55
CCCC[N@@H+](C)CC(C)NC(=O)NCCCCCCC(=O)[O-]	REAL300013846380	1	55	0.0	-78.19	419.79	8.53	-69.66
CCCC[N@H+](C)CC(C)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013846381	0	53	0.0	-79.68	384.61	9.37	-70.31
CCCC[N@@H+](C)CC(C)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013846381	1	53	0.0	-80.91	385.24	9.42	-71.49
CCCC[N@H+](C)CC(C)NC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013846382	0	57	0.0	-84.74	416.66	8.50	-76.24
CCCC[N@@H+](C)CC(C)NC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013846382	1	57	0.0	-86.46	417.05	8.50	-77.96
CCCC[N@H+](C)CC(C)NC(=O)N(CCOC)CCC(=O)[O-]	REAL300013846383	0	53	0.0	-51.09	404.42	7.97	-43.12
CCCC[N@@H+](C)CC(C)NC(=O)N(CCOC)CCC(=O)[O-]	REAL300013846383	1	53	0.0	-55.52	404.60	7.91	-47.61
CCCC[N@H+](C)CC(C)NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013846384	0	59	0.0	-78.73	444.37	10.22	-68.51
CCCC[N@@H+](C)CC(C)NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013846384	1	59	0.0	-79.45	444.37	10.27	-69.18
CCCC[N@H+](C)CC(C)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013846385	0	56	0.0	-80.09	410.38	10.12	-69.97
CCCC[N@@H+](C)CC(C)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013846385	1	56	0.0	-79.28	410.10	10.05	-69.23
CCCC[N@H+](C)CC(C)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013846386	0	54	0.0	-81.33	403.33	11.17	-70.16
CCCC[N@@H+](C)CC(C)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013846386	1	54	0.0	-80.07	403.07	11.14	-68.93
CCCC[N@H+](C)CC(C)NC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013846387	0	61	0.0	-69.35	457.85	9.10	-60.25
CCCC[N@@H+](C)CC(C)NC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013846387	1	61	0.0	-77.70	459.07	8.20	-69.50
CCCC[N@H+](C)CC(C)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013846388	0	51	0.0	-73.41	382.19	7.33	-66.08
CCCC[N@@H+](C)CC(C)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013846388	1	51	0.0	-68.74	381.94	7.32	-61.42
CCCC[N@H+](C)CC(C)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013846389	0	53	0.0	-56.95	383.77	9.21	-47.74
CCCC[N@@H+](C)CC(C)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013846389	1	53	0.0	-59.07	386.40	9.22	-49.85
CCCC[N@H+](C)CC(C)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013846390	0	57	0.0	-64.86	430.81	11.19	-53.67
CCCC[N@@H+](C)CC(C)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013846390	1	57	0.0	-64.90	432.54	11.27	-53.63
CCCC[N@H+](C)CC(C)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013846391	0	51	0.0	-60.27	379.43	6.18	-54.09
CCCC[N@@H+](C)CC(C)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013846391	1	51	0.0	-76.83	379.44	6.15	-70.68
CCCC[N@H+](C)CC(C)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013846392	0	54	0.0	-72.28	413.52	9.42	-62.86
CCCC[N@@H+](C)CC(C)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013846392	1	54	0.0	-72.86	413.44	9.42	-63.44
CCCC[N@H+](C)CC(C)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013846393	0	57	0.0	-88.98	421.37	8.47	-80.51
CCCC[N@@H+](C)CC(C)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013846393	1	57	0.0	-89.95	421.10	8.47	-81.48
CCCC[N@H+](C)CC(C)NC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013846394	0	57	0.0	-80.73	412.95	8.62	-72.11
CCCC[N@@H+](C)CC(C)NC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013846394	1	57	0.0	-78.42	413.31	8.80	-69.62
CCCC[N@H+](C)CC(C)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013846395	0	59	0.0	-63.62	416.71	8.92	-54.70
CCCC[N@@H+](C)CC(C)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013846395	1	59	0.0	-65.25	416.71	8.97	-56.28
CCCC[N@H+](C)CC(C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013846396	0	53	0.0	-68.32	389.94	8.33	-59.99
CCCC[N@@H+](C)CC(C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013846396	1	53	0.0	-68.49	389.93	8.34	-60.15
CCCC[N@H+](C)CC(C)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013846397	0	56	0.0	-76.01	414.12	8.64	-67.37
CCCC[N@@H+](C)CC(C)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013846397	1	56	0.0	-76.99	415.45	8.68	-68.31
CCCC[N@H+](C)CC(C)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013846398	0	53	0.0	-67.72	387.48	9.29	-58.43
CCCC[N@@H+](C)CC(C)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013846398	1	53	0.0	-76.16	387.40	9.31	-66.85
CCCC[N@H+](C)CC(C)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013846399	0	54	0.0	-79.23	404.03	8.68	-70.55
CCCC[N@@H+](C)CC(C)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013846399	1	54	0.0	-77.13	403.94	8.68	-68.45
CCCC[N@H+](C)CC(C)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013846400	0	53	0.0	-70.58	395.24	7.95	-62.63
CCCC[N@@H+](C)CC(C)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013846400	1	53	0.0	-72.99	395.15	7.95	-65.04
CCCC[N@H+](C)CC(C)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013846401	0	53	0.0	-70.01	391.35	8.38	-61.63
CCCC[N@@H+](C)CC(C)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013846401	1	53	0.0	-72.97	395.16	7.95	-65.02
CCCC[N@H+](C)CC(C)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013846402	0	54	0.0	-61.41	400.50	6.79	-54.62
CCCC[N@@H+](C)CC(C)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013846402	1	54	0.0	-66.90	400.50	6.80	-60.10
CCCC[N@H+](C)CC(C)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013846403	0	51	0.0	-63.37	382.53	5.52	-57.85
CCCC[N@@H+](C)CC(C)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013846403	1	51	0.0	-58.79	382.44	5.52	-53.27
CCCC[N@H+](C)CC(C)NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013846404	0	62	0.0	-76.99	468.37	10.67	-66.32
CCCC[N@@H+](C)CC(C)NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013846404	1	62	0.0	-76.94	468.27	10.64	-66.30
CCCC[N@H+](C)CC(C)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013846405	0	54	0.0	-65.54	398.06	9.41	-56.13
CCCC[N@@H+](C)CC(C)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013846405	1	54	0.0	-64.41	397.57	9.44	-54.97
CCCC[N@H+](C)CC(C)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013846406	0	50	0.0	-70.66	389.33	8.52	-62.14
CCCC[N@@H+](C)CC(C)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013846406	1	50	0.0	-70.13	389.23	8.46	-61.67
CCCC[N@H+](C)CC(C)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013846407	0	51	0.0	-60.49	377.83	7.92	-52.57
CCCC[N@@H+](C)CC(C)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013846407	1	51	0.0	-80.23	377.57	7.84	-72.39
CCCC[N@H+](C)CC(C)NC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013846408	0	54	0.0	-56.90	400.77	7.71	-49.19
CCCC[N@@H+](C)CC(C)NC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013846408	1	54	0.0	-78.83	402.59	7.59	-71.24
CCCC[N@H+](C)CC(C)NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013846409	0	59	0.0	-88.80	447.40	7.13	-81.67
CCCC[N@@H+](C)CC(C)NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013846409	1	59	0.0	-81.30	448.26	7.22	-74.08
O=C([O-])C[NH+]1CCC(NC(=O)NCC(F)(F)C2=CC=CC=C2)CC1	REAL300013846468	1	45	0.0	-40.09	364.54	7.17	-32.92
CN(C)C1=CC=CN=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013846538	1	49	0.0	-37.35	381.63	4.40	-32.95
CC1=CC(CNC(=O)N2CCC(C(=O)[O-])CC2)=CC(N2CCCC2)=[NH+]1	REAL300013846605	1	51	0.0	-64.86	390.38	7.55	-57.31
CC1=CC(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)=CC(N2CCCC2)=[NH+]1	REAL300013846606	1	51	0.0	-68.72	413.43	7.20	-61.52
CC1=CC(CNC(=O)N2CCOC(C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846607	1	49	0.0	-53.53	382.48	6.03	-47.50
CC1=CC(CNC(=O)NC2CCC(C(=O)[O-])CC2)=CC(N2CCCC2)=[NH+]1	REAL300013846608	1	54	0.0	-60.63	411.64	7.33	-53.30
CC1=CC(CNC(=O)NCCCCC(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013846609	1	50	0.0	-67.60	398.14	5.86	-61.74
CC1=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC(N2CCCC2)=[NH+]1	REAL300013846610	1	51	0.0	-67.20	414.41	7.17	-60.03
CC1=CC(CNC(=O)NCCC(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013846611	1	44	0.0	-64.16	355.14	4.28	-59.88
CC1=CC(CNC(=O)NCCCCCC(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013846612	1	53	0.0	-66.30	419.64	6.64	-59.66
CC1=CC(CNC(=O)NCC(C)(C)C(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013846613	1	50	0.0	-67.35	390.00	5.74	-61.61
CC1=CC(CNC(=O)N2CCC(C)(C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846614	1	51	0.0	-66.27	397.49	7.13	-59.14
CC1=CC(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846615	1	54	0.0	-51.21	406.88	8.40	-42.81
CC1=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=CC(N2CCCC2)=[NH+]1	REAL300013846616	1	54	0.0	-67.23	403.57	7.90	-59.33
CC1=CC(CNC(=O)NCCCC(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013846617	1	47	0.0	-61.96	376.64	5.08	-56.88
CC1=CC(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846618	1	54	0.0	-69.53	405.68	8.03	-61.50
CC1=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=CC(N2CCCC2)=[NH+]1	REAL300013846619	1	55	0.0	-55.35	415.76	5.28	-50.07
CC1=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013846620	1	53	0.0	-62.98	409.93	5.96	-57.02
CCC(CC)(CNC(=O)NCC1=CC(C)=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300013846621	1	56	0.0	-57.55	422.24	6.75	-50.80
CC1=CC(CNC(=O)NCC(C)C(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013846622	1	47	0.0	-65.18	372.81	5.02	-60.16
CC1=CC(CNC(=O)NCC(C(=O)[O-])C(C)C)=CC(N2CCCC2)=[NH+]1	REAL300013846623	1	53	0.0	-54.18	406.10	6.35	-47.83
CC1=CC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CC(N2CCCC2)=[NH+]1	REAL300013846624	1	60	0.0	-71.06	451.78	8.15	-62.91
CC1=CC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CC(N2CCCC2)=[NH+]1	REAL300013846625	1	57	0.0	-58.16	445.52	8.40	-49.76
CC1=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846626	1	51	0.0	-62.48	396.38	6.26	-56.22
CC1=CC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)=CC(N2CCCC2)=[NH+]1	REAL300013846627	1	57	0.0	-66.57	431.23	9.03	-57.54
CC1=CC(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846628	1	53	0.0	-64.82	406.89	5.86	-58.96
CC1=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=CC(N2CCCC2)=[NH+]1	REAL300013846629	1	54	0.0	-54.94	415.09	7.12	-47.82
CC1=CC(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)=CC(N2CCCC2)=[NH+]1	REAL300013846630	1	54	0.0	-63.96	402.76	8.32	-55.64
CC1=CC(CNC(=O)NCC2(C(=O)[O-])CCC2)=CC(N2CCCC2)=[NH+]1	REAL300013846631	1	51	0.0	-53.51	397.05	6.29	-47.22
CC1=CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)=CC(N2CCCC2)=[NH+]1	REAL300013846632	1	54	0.0	-66.67	422.85	7.13	-59.54
CC1=CC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)=CC(N2CCCC2)=[NH+]1	REAL300013846633	1	54	0.0	-67.23	403.57	7.90	-59.33
CC1=CC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)=CC(N2CCCC2)=[NH+]1	REAL300013846634	1	59	0.0	-64.18	442.10	7.48	-56.70
CC1=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013846635	1	51	0.0	-60.20	407.05	7.30	-52.90
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC(C)=[NH+]C(N3CCCC3)=C2)C1	REAL300013846636	1	55	0.0	-68.81	428.36	6.25	-62.56
CC1=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846637	1	48	0.0	-63.00	381.13	5.65	-57.35
CC1=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(N2CCCC2)=N1	REAL300013846638	1	56	0.0	-37.80	428.75	6.79	-31.01
CC1=CC(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846639	1	51	0.0	-50.86	389.62	7.55	-43.31
CC1=CC(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846640	1	51	0.0	-69.86	390.26	7.60	-62.26
CC1=CC(CNC(=O)NC2CC(C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846641	1	48	0.0	-62.87	382.10	5.63	-57.24
CC1=CC(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846642	1	48	0.0	-65.13	380.62	5.72	-59.41
CC1=CC(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC(N2CCCC2)=[NH+]1	REAL300013846643	1	51	0.0	-67.20	414.41	7.17	-60.03
CCC(CNC(=O)NCC1=CC(C)=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300013846644	1	50	0.0	-55.34	390.63	5.84	-49.50
CC1=CC(CNC(=O)N2CCCCC2CCC(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013846645	1	57	0.0	-72.61	423.57	8.94	-63.67
CC1=CC(CNC(=O)NCCCCCCCC(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013846646	1	59	0.0	-68.45	462.64	8.20	-60.25
CC1=CC(CNC(=O)NCCCCCCC(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013846647	1	56	0.0	-69.33	441.14	7.42	-61.91
CC1=CC(CNC(=O)N(C)CCCC(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013846648	1	50	0.0	-68.02	394.27	7.47	-60.55
CC1=CC(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846649	1	54	0.0	-70.86	405.01	8.33	-62.53
COCC1(C(=O)[O-])CCCN(C(=O)NCC2=CC(C)=[NH+]C(N3CCCC3)=C2)C1	REAL300013846650	1	58	0.0	-74.27	435.62	8.22	-66.05
COCCN(CCC(=O)[O-])C(=O)NCC1=CC(C)=[NH+]C(N2CCCC2)=C1	REAL300013846651	1	54	0.0	-48.66	425.96	6.83	-41.83
CC1=CC(CNC(=O)N2CCCC(CCC(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846652	1	57	0.0	-70.32	430.50	9.02	-61.30
CC1=CC(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846653	1	55	0.0	-72.94	422.81	10.34	-62.60
CC1=CC(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)=CC(N2CCCC2)=[NH+]1	REAL300013846654	1	52	0.0	-58.76	402.31	6.23	-52.53
CC1=CC(CNC(=O)N2CC(C(=O)[O-])CCC2C)=CC(N2CCCC2)=[NH+]1	REAL300013846655	1	54	0.0	-51.17	405.38	8.19	-42.98
CC1=CC(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846656	1	52	0.0	-67.03	399.76	5.15	-61.88
CC1=CC(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=CC(N2CCCC2)=[NH+]1	REAL300013846657	1	55	0.0	-66.20	436.11	8.42	-57.78
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC(C)=[NH+]C(N3CCCC3)=C2)CC1	REAL300013846658	1	58	0.0	-65.69	433.75	7.74	-57.95
CC1=CC(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)=CC(N2CCCC2)=[NH+]1	REAL300013846659	1	49	0.0	-69.81	390.88	5.89	-63.92
CC1=CC(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)=CC(N2CCCC2)=[NH+]1	REAL300013846660	1	60	0.0	-63.32	437.10	7.85	-55.47
CC1=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=CC(N2CCCC2)=[NH+]1	REAL300013846661	1	54	0.0	-58.86	410.32	7.27	-51.59
CC1=CC(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=CC(N2CCCC2)=[NH+]1	REAL300013846662	1	57	0.0	-67.88	434.49	7.58	-60.30
CC1=CC(CNC(=O)N2CCC(CC(=O)[O-])CC2)=CC(N2CCCC2)=[NH+]1	REAL300013846663	1	54	0.0	-59.49	408.92	8.25	-51.24
CC1=CC(CNC(=O)N2CCC(OCC(=O)[O-])CC2)=CC(N2CCCC2)=[NH+]1	REAL300013846664	1	55	0.0	-69.07	425.45	7.64	-61.43
CC1=CC(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846665	1	54	0.0	-64.22	415.54	6.87	-57.35
CC1=CC(CNC(=O)NC2CCCC(C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846666	1	54	0.0	-61.41	411.63	7.32	-54.09
CC1=CC(CNC(=O)NCC2(C(=O)[O-])CCCOC2)=CC(N2CCCC2)=[NH+]1	REAL300013846667	1	55	0.0	-60.02	420.88	5.73	-54.29
CC1=CC(CNC(=O)NCC2(C(=O)[O-])CCOC2)=CC(N2CCCC2)=[NH+]1	REAL300013846668	1	52	0.0	-56.17	403.78	4.41	-51.76
CC1=CC(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(N2CCCC2)=[NH+]1	REAL300013846669	1	49	0.0	-62.71	392.29	6.39	-56.32
CC1=CC(CNC(=O)NCC2(C(=O)[O-])CC2)=CC(N2CCCC2)=[NH+]1	REAL300013846670	1	48	0.0	-51.93	382.28	6.00	-45.93
CC1=CC(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=CC(N2CCCC2)=[NH+]1	REAL300013846671	1	55	0.0	-57.62	419.15	8.42	-49.20
CC1=CC(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846672	1	52	0.0	-70.91	398.01	6.83	-64.08
CC1=CC(CNC(=O)N2CC(C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846673	1	45	0.0	-58.07	361.91	5.88	-52.19
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC(C)=[NH+]C(N3CCCC3)=C2)C1	REAL300013846674	1	55	0.0	-53.61	421.20	6.68	-46.93
CC1=CC(CNC(=O)N2CCC(C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013846675	1	48	0.0	-65.65	377.77	6.65	-59.00
CC1=CC(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(N2CCCC2)=[NH+]1	REAL300013846676	1	49	0.0	-69.87	391.32	6.33	-63.54
CC1=CC(CNC(=O)NC(C)CCC(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013846677	1	50	0.0	-59.43	396.40	6.08	-53.35
COC1=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1C#N	REAL300013846709	1	47	0.0	-41.95	382.46	5.95	-36.00
CSC1(CNC(=O)N2CCC(C(=O)[O-])CC2)CC[NH+](C)CC1	REAL300013846753	0	49	0.0	-70.75	363.15	8.03	-62.72
CSC1(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC[NH+](C)CC1	REAL300013846754	0	49	0.0	-78.41	385.89	7.60	-70.81
CSC1(CNC(=O)N2CCOC(C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846755	0	47	0.0	-76.75	354.61	6.41	-70.34
CSC1(CNC(=O)NC2CCC(C(=O)[O-])CC2)CC[NH+](C)CC1	REAL300013846756	0	52	0.0	-78.47	388.44	7.26	-71.21
CSC1(CNC(=O)NCCCCC(=O)[O-])CC[NH+](C)CC1	REAL300013846757	0	48	0.0	-76.20	369.53	6.25	-69.95
CSC1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[NH+](C)CC1	REAL300013846758	0	49	0.0	-80.84	385.80	7.57	-73.27
CSC1(CNC(=O)NCCCCCC(=O)[O-])CC[NH+](C)CC1	REAL300013846759	0	51	0.0	-75.63	391.03	7.03	-68.60
CSC1(CNC(=O)NCC(C)(C)C(=O)[O-])CC[NH+](C)CC1	REAL300013846760	0	48	0.0	-75.88	361.39	6.15	-69.73
CSC1(CNC(=O)N2CCC(C)(C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846761	0	49	0.0	-75.33	368.91	7.54	-67.79
CSC1(CNC(=O)N2CC(C)CC(C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846762	0	52	0.0	-62.70	383.46	8.55	-54.15
CSC1(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC[NH+](C)CC1	REAL300013846763	0	52	0.0	-70.80	375.04	8.21	-62.59
CSC1(CNC(=O)NCCCC(=O)[O-])CC[NH+](C)CC1	REAL300013846764	0	45	0.0	-71.87	348.03	5.47	-66.40
CSC1(CNC(=O)N2CCC(C)C(C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846765	0	52	0.0	-75.81	377.69	8.39	-67.42
CSC1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC[NH+](C)CC1	REAL300013846766	0	53	0.0	-64.79	388.01	5.62	-59.17
CSC1(CNC(=O)NCCC(C)(C)C(=O)[O-])CC[NH+](C)CC1	REAL300013846767	0	51	0.0	-72.95	381.32	6.36	-66.59
CCC(CC)(CNC(=O)NCC1(SC)CC[NH+](C)CC1)C(=O)[O-]	REAL300013846768	0	54	0.0	-62.84	388.92	7.32	-55.52
CSC1(CNC(=O)NCC(C)C(=O)[O-])CC[NH+](C)CC1	REAL300013846769	0	45	0.0	-74.03	345.08	5.43	-68.60
CSC1(CNC(=O)NCC(C(=O)[O-])C(C)C)CC[NH+](C)CC1	REAL300013846770	0	51	0.0	-63.57	378.57	6.73	-56.84
CSC1(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC[NH+](C)CC1	REAL300013846771	0	58	0.0	-75.52	422.02	8.08	-67.44
CSC1(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[NH+](C)CC1	REAL300013846772	0	55	0.0	-68.77	411.62	9.05	-59.72
CSC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846773	0	49	0.0	-70.55	369.44	6.72	-63.83
CSC1(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC[NH+](C)CC1	REAL300013846774	0	55	0.0	-72.18	402.46	9.42	-62.76
CSC1(CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846775	0	51	0.0	-70.44	380.02	6.12	-64.32
CSC1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC[NH+](C)CC1	REAL300013846776	0	52	0.0	-70.63	386.59	7.53	-63.10
CSC1(CNC(=O)N2CCC(C(=O)[O-])C(C)C2)CC[NH+](C)CC1	REAL300013846777	0	52	0.0	-69.16	374.97	8.69	-60.47
CSC1(CNC(=O)NCC2(C(=O)[O-])CCC2)CC[NH+](C)CC1	REAL300013846778	0	49	0.0	-68.82	368.61	6.83	-61.99
CSC1(CNC(=O)NCC(CC(=O)[O-])C2CC2)CC[NH+](C)CC1	REAL300013846779	0	52	0.0	-72.34	393.88	7.52	-64.82
CSC1(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC[NH+](C)CC1	REAL300013846780	0	52	0.0	-70.80	375.04	8.21	-62.59
CSC1(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC[NH+](C)CC1	REAL300013846781	0	57	0.0	-68.32	413.86	7.83	-60.49
CSC1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC[NH+](C)CC1	REAL300013846782	0	49	0.0	-76.46	379.50	7.70	-68.76
COCC1(C(=O)[O-])CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)C1	REAL300013846783	0	53	0.0	-78.83	398.29	6.66	-72.17
CSC1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846784	0	46	0.0	-73.62	353.51	6.03	-67.59
CSC1(CNC(=O)NC2CCN(CC(=O)[O-])CC2)CC[NH+](C)CC1	REAL300013846785	0	54	0.0	-73.48	401.54	5.13	-68.35
CSC1(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846786	0	49	0.0	-75.82	361.75	7.94	-67.88
CSC1(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846787	0	49	0.0	-76.87	362.95	7.99	-68.88
CSC1(CNC(=O)NC2CC(C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846788	0	46	0.0	-71.20	353.21	6.05	-65.15
CSC1(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846789	0	46	0.0	-74.75	353.15	6.09	-68.66
CSC1(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[NH+](C)CC1	REAL300013846790	0	49	0.0	-80.84	385.80	7.57	-73.27
CCC(CNC(=O)NCC1(SC)CC[NH+](C)CC1)C(=O)[O-]	REAL300013846791	0	48	0.0	-63.30	362.02	6.24	-57.06
CSC1(CNC(=O)N2CCCCC2CCC(=O)[O-])CC[NH+](C)CC1	REAL300013846792	0	55	0.0	-78.41	396.00	9.37	-69.04
CSC1(CNC(=O)NCCCCCCCC(=O)[O-])CC[NH+](C)CC1	REAL300013846793	0	57	0.0	-77.42	434.03	8.59	-68.83
CSC1(CNC(=O)NCCCCCCC(=O)[O-])CC[NH+](C)CC1	REAL300013846794	0	54	0.0	-77.86	412.53	7.81	-70.05
CSC1(CNC(=O)N(C)CCCC(=O)[O-])CC[NH+](C)CC1	REAL300013846795	0	48	0.0	-72.83	365.66	7.84	-64.99
CSC1(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846796	0	52	0.0	-76.84	377.65	8.70	-68.14
COCC1(C(=O)[O-])CCCN(C(=O)NCC2(SC)CC[NH+](C)CC2)C1	REAL300013846797	0	56	0.0	-80.02	408.35	8.47	-71.55
COCCN(CCC(=O)[O-])C(=O)NCC1(SC)CC[NH+](C)CC1	REAL300013846798	0	52	0.0	-62.46	397.18	7.25	-55.21
CSC1(CNC(=O)N2CCCC(CCC(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846799	0	55	0.0	-76.57	402.63	9.40	-67.17
CSC1(CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846800	0	53	0.0	-71.83	394.93	10.73	-61.10
CSC1(CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC[NH+](C)CC1	REAL300013846801	0	50	0.0	-68.52	374.58	6.71	-61.81
CSC1(CNC(=O)N2CC(C(=O)[O-])CCC2C)CC[NH+](C)CC1	REAL300013846802	0	52	0.0	-65.91	377.75	8.51	-57.40
CSC1(CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846803	0	56	0.0	-73.14	423.58	10.51	-62.63
CSC1(CNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846804	0	50	0.0	-66.09	371.91	5.51	-60.58
CSC1(CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC[NH+](C)CC1	REAL300013846805	0	53	0.0	-75.68	408.48	8.81	-66.87
CSC1(CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC[NH+](C)CC1	REAL300013846806	0	56	0.0	-73.43	414.02	7.81	-65.62
COCC1(C(=O)[O-])CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC1	REAL300013846807	0	56	0.0	-72.81	406.01	8.15	-64.66
CSC1(CNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC[NH+](C)CC1	REAL300013846808	0	47	0.0	-77.48	363.26	6.26	-71.22
CSC1(CNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC[NH+](C)CC1	REAL300013846809	0	58	0.0	-70.44	409.06	8.26	-62.18
CSC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC[NH+](C)CC1	REAL300013846810	0	52	0.0	-73.12	382.78	7.65	-65.47
CSC1(CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC[NH+](C)CC1	REAL300013846811	0	55	0.0	-77.04	408.21	7.99	-69.05
CSC1(CNC(=O)N2CCC(CC(=O)[O-])CC2)CC[NH+](C)CC1	REAL300013846812	0	52	0.0	-68.05	380.14	8.64	-59.41
CSC1(CNC(=O)N2CCC(OCC(=O)[O-])CC2)CC[NH+](C)CC1	REAL300013846813	0	53	0.0	-73.35	396.75	8.06	-65.29
CSC1(CNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846814	0	52	0.0	-74.42	387.99	7.27	-67.15
CSC1(CNC(=O)NC2CCCC(C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846815	0	52	0.0	-70.09	383.56	7.69	-62.40
CSC1(CNC(=O)NCC2(C(=O)[O-])CCCOC2)CC[NH+](C)CC1	REAL300013846816	0	53	0.0	-67.23	393.25	6.10	-61.13
CSC1(CNC(=O)NCC2(C(=O)[O-])CCOC2)CC[NH+](C)CC1	REAL300013846817	0	50	0.0	-64.43	375.27	4.82	-59.61
CSC1(CNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC[NH+](C)CC1	REAL300013846818	0	47	0.0	-75.14	364.75	6.77	-68.37
CSC1(CNC(=O)NCC2(C(=O)[O-])CC2)CC[NH+](C)CC1	REAL300013846819	0	46	0.0	-63.62	353.56	6.41	-57.21
CSC1(CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC[NH+](C)CC1	REAL300013846820	0	53	0.0	-69.23	390.41	8.74	-60.49
CSC1(CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC[NH+](C)CC1	REAL300013846821	0	49	0.0	-71.12	382.66	7.81	-63.31
CSC1(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846822	0	50	0.0	-77.17	370.24	7.21	-69.96
CSC1(CNC(=O)N2CC(C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846823	0	43	0.0	-67.86	334.36	6.26	-61.60
COC1CC(C(=O)[O-])CN(C(=O)NCC2(SC)CC[NH+](C)CC2)C1	REAL300013846824	0	53	0.0	-76.59	395.28	6.97	-69.62
CSC1(CNC(=O)N2CCC(C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013846825	0	46	0.0	-73.73	348.89	7.03	-66.70
CSC1(CNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC[NH+](C)CC1	REAL300013846826	0	47	0.0	-76.70	363.99	6.77	-69.93
CSC1(CNC(=O)NC(C)CCC(=O)[O-])CC[NH+](C)CC1	REAL300013846827	0	48	0.0	-68.41	367.79	6.48	-61.93
CC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)OCCC2=C1C=CS2	REAL300013846860	1	50	0.0	-37.01	389.61	6.15	-30.86
COCC1=NC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CS1	REAL300013846932	1	45	0.0	-37.82	373.38	3.00	-34.82
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3=C(C2)N=CN3)CC1	REAL300013846993	1	46	0.0	-46.98	353.25	5.59	-41.39
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3=C(C2)NC=N3)CC1	REAL300013846993	1	46	0.0	-41.21	353.26	5.59	-35.62
O=C([O-])C[NH+]1CCC(NC(=O)NC2C3=CC=CC=C3CC23CCOCC3)CC1	REAL300013847064	1	57	0.0	-37.70	420.32	8.23	-29.47
CCC1=NN=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013847140	1	43	0.0	-39.77	355.83	3.82	-35.95
O=C([O-])C1CCN(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013847176	0	58	0.0	-73.15	418.93	11.16	-61.99
O=C([O-])C1CCN(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013847176	1	58	0.0	-74.78	418.41	11.34	-63.44
O=C([O-])C1=CC=C(CNC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013847177	0	58	0.0	-78.78	443.05	11.06	-67.72
O=C([O-])C1=CC=C(CNC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300013847177	1	58	0.0	-79.13	443.57	10.97	-68.16
O=C([O-])C1CN(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300013847178	0	56	0.0	-79.44	411.40	9.91	-69.53
O=C([O-])C1CN(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300013847178	1	56	0.0	-66.76	411.58	9.94	-56.82
O=C([O-])C1CCC(NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013847179	0	61	0.0	-79.14	445.69	10.76	-68.38
O=C([O-])C1CCC(NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013847179	1	61	0.0	-79.19	445.15	10.80	-68.39
O=C([O-])CCCCNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013847180	0	57	0.0	-77.11	426.59	9.76	-67.35
O=C([O-])CCCCNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013847180	1	57	0.0	-77.07	426.25	9.78	-67.29
O=C([O-])C1=CC(CNC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)=CC=C1	REAL300013847181	0	58	0.0	-79.12	443.06	11.05	-68.07
O=C([O-])C1=CC(CNC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1	REAL300013847181	1	58	0.0	-79.70	443.57	10.96	-68.74
O=C([O-])CCNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013847182	0	51	0.0	-74.09	383.79	8.16	-65.93
O=C([O-])CCNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013847182	1	51	0.0	-74.02	383.25	8.20	-65.82
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013847183	0	60	0.0	-76.29	448.29	10.52	-65.77
O=C([O-])CCCCCNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013847183	1	60	0.0	-76.60	448.80	10.44	-66.16
CC(C)(CNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013847184	0	57	0.0	-77.04	418.65	9.64	-67.40
CC(C)(CNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013847184	1	57	0.0	-77.32	419.16	9.54	-67.78
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013847185	0	58	0.0	-74.84	423.48	10.99	-63.85
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013847185	1	58	0.0	-77.85	423.09	10.92	-66.93
CC1CC(C(=O)[O-])CN(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013847186	0	61	0.0	-65.16	440.13	11.74	-53.42
CC1CC(C(=O)[O-])CN(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013847186	1	61	0.0	-79.53	440.67	11.94	-67.59
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013847187	0	61	0.0	-78.35	432.61	11.48	-66.87
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013847187	1	61	0.0	-74.53	433.55	11.64	-62.89
O=C([O-])CCCNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013847188	0	54	0.0	-72.37	405.29	8.96	-63.41
O=C([O-])CCCNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013847188	1	54	0.0	-72.29	404.75	9.00	-63.29
CC1CCN(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300013847189	0	61	0.0	-77.98	435.65	11.77	-66.21
CC1CCN(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC1C(=O)[O-]	REAL300013847189	1	61	0.0	-65.13	438.19	12.00	-53.13
CC(C)(CCNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013847190	0	60	0.0	-73.28	438.58	9.84	-63.44
CC(C)(CCNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013847190	1	60	0.0	-73.57	439.09	9.75	-63.82
CCC(CC)(CNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013847191	0	63	0.0	-69.10	450.88	10.64	-58.46
CCC(CC)(CNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013847191	1	63	0.0	-67.43	451.40	10.55	-56.88
CC(CNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013847192	0	54	0.0	-75.71	403.15	8.95	-66.76
CC(CNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013847192	1	54	0.0	-75.84	402.84	8.83	-67.01
CC(C)C(CNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013847193	0	60	0.0	-69.65	441.07	10.11	-59.54
CC(C)C(CNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013847193	1	60	0.0	-70.13	441.58	10.03	-60.10
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013847194	0	58	0.0	-70.54	426.14	10.24	-60.30
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013847194	1	58	0.0	-72.93	427.20	10.14	-62.79
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013847195	0	61	0.0	-68.07	443.55	10.88	-57.19
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013847195	1	61	0.0	-68.47	443.21	11.05	-57.42
CC1CN(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300013847196	0	61	0.0	-73.97	431.60	12.30	-61.67
CC1CN(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCC1C(=O)[O-]	REAL300013847196	1	61	0.0	-75.19	433.59	12.26	-62.93
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCC1	REAL300013847197	0	58	0.0	-65.56	425.57	10.34	-55.22
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCC1	REAL300013847197	1	58	0.0	-66.83	425.23	10.35	-56.48
O=C([O-])CC(CNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013847198	0	61	0.0	-69.96	449.07	10.87	-59.09
O=C([O-])CC(CNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013847198	1	61	0.0	-75.27	450.27	10.99	-64.28
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013847199	0	61	0.0	-78.35	432.61	11.48	-66.87
CC1(C(=O)[O-])CCN(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013847199	1	61	0.0	-74.53	433.55	11.64	-62.89
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013847200	0	58	0.0	-72.98	436.42	11.04	-61.94
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013847200	1	58	0.0	-73.51	436.12	11.21	-62.30
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013847201	0	55	0.0	-73.14	410.02	9.54	-63.60
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013847201	1	55	0.0	-73.59	410.78	9.43	-64.16
O=C([O-])[C@@H]1CCCN(C(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013847202	0	58	0.0	-64.46	419.40	11.46	-53.00
O=C([O-])[C@@H]1CCCN(C(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013847202	1	58	0.0	-64.08	420.00	11.38	-52.70
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CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCCCCC(=O)[O-]	REAL300013847579	1	52	0.0	-72.21	390.12	7.34	-64.87
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CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013847582	0	53	0.0	-72.61	367.81	9.05	-63.56
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013847582	1	53	0.0	-73.32	374.34	8.47	-64.85
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013847583	0	53	0.0	-55.35	371.28	9.29	-46.06
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013847583	1	53	0.0	-54.12	377.15	8.68	-45.44
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013847584	0	54	0.0	-55.95	381.50	6.51	-49.44
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013847584	1	54	0.0	-55.91	387.21	5.93	-49.98
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013847585	0	52	0.0	-67.85	374.85	7.27	-60.58
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013847585	1	52	0.0	-68.24	380.40	6.67	-61.57
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013847586	0	55	0.0	-54.35	384.02	8.41	-45.94
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013847586	1	55	0.0	-59.57	388.01	7.63	-51.94
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013847587	0	52	0.0	-63.09	377.35	7.54	-55.55
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013847587	1	52	0.0	-62.75	382.91	6.93	-55.82
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CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013847589	0	56	0.0	-58.00	410.44	9.71	-48.29
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013847589	1	56	0.0	-54.31	410.60	9.34	-44.97
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013847590	0	56	0.0	-74.29	393.81	10.25	-64.04
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013847590	1	56	0.0	-75.30	401.74	9.70	-65.60
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013847591	0	52	0.0	-70.30	371.37	7.15	-63.15
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013847591	1	52	0.0	-74.43	379.05	6.40	-68.03
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013847592	0	53	0.0	-55.64	380.02	8.44	-47.20
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013847592	1	53	0.0	-55.43	385.57	7.83	-47.60
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013847593	0	53	0.0	-70.41	366.47	9.53	-60.88
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013847593	1	53	0.0	-72.13	374.38	8.99	-63.14
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013847594	0	53	0.0	-72.67	387.57	8.45	-64.22
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013847594	1	53	0.0	-73.22	393.10	7.86	-65.36
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013847595	0	53	0.0	-72.61	367.81	9.05	-63.56
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013847595	1	53	0.0	-73.32	374.34	8.47	-64.85
CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013847596	0	58	0.0	-68.70	407.55	8.76	-59.94
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013847596	1	58	0.0	-64.91	418.77	8.34	-56.57
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013847597	0	50	0.0	-58.73	372.94	8.60	-50.13
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013847597	1	50	0.0	-58.90	378.48	8.00	-50.90
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013847598	0	54	0.0	-75.49	392.49	7.57	-67.92
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CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013847613	0	53	0.0	-76.06	370.98	9.39	-66.67
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013847613	1	53	0.0	-52.58	377.23	8.80	-43.78
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013847614	0	57	0.0	-56.22	417.18	11.25	-44.97
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013847614	1	57	0.0	-53.54	422.56	10.83	-42.71
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013847615	0	51	0.0	-73.50	363.20	6.33	-67.17
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013847615	1	51	0.0	-74.74	371.25	5.81	-68.93
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CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013847616	1	54	0.0	-71.56	407.56	9.11	-62.45
CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013847617	0	57	0.0	-85.77	407.76	8.65	-77.12
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CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013847620	0	53	0.0	-65.86	376.45	8.52	-57.34
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013847620	1	53	0.0	-61.62	381.76	7.94	-53.68
CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013847621	0	56	0.0	-74.19	401.71	8.90	-65.29
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CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013847622	0	53	0.0	-73.05	371.50	9.47	-63.58
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013847622	1	53	0.0	-74.39	379.42	8.92	-65.47
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013847623	0	54	0.0	-75.23	388.10	8.90	-66.33
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013847623	1	54	0.0	-76.20	396.02	8.34	-67.86
CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013847624	0	53	0.0	-66.68	380.88	8.08	-58.60
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013847624	1	53	0.0	-67.89	388.49	8.23	-59.66
CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013847625	0	53	0.0	-67.54	377.53	8.59	-58.95
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013847625	1	53	0.0	-67.54	383.08	7.98	-59.56
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013847626	0	54	0.0	-53.34	382.82	6.67	-46.67
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013847626	1	54	0.0	-54.19	389.45	6.14	-48.05
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013847627	0	51	0.0	-61.24	368.71	5.72	-55.52
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013847627	1	51	0.0	-60.78	374.26	5.11	-55.67
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013847628	0	62	0.0	-74.20	454.54	10.87	-63.33
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013847628	1	62	0.0	-73.81	460.40	10.95	-62.86
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013847629	0	54	0.0	-59.99	382.76	9.56	-50.43
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013847629	1	54	0.0	-60.25	389.39	9.04	-51.21
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CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013847631	1	51	0.0	-58.00	369.51	7.50	-50.50
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013847632	0	54	0.0	-56.52	388.46	7.83	-48.69
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013847632	1	54	0.0	-57.60	388.78	7.59	-50.01
CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013847633	0	59	0.0	-84.32	433.63	7.37	-76.95
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013847633	1	59	0.0	-85.89	440.22	6.79	-79.10
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CCC[N@H+](CC)C[C@H](C)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013847754	0	50	0.0	-74.76	385.17	7.91	-66.85
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CCC[N@H+](CC)C[C@H](C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013847757	0	50	0.0	-75.97	385.17	7.89	-68.08
CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013847757	1	50	0.0	-76.41	389.25	8.18	-68.23
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CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCCCCC(=O)[O-]	REAL300013847758	1	52	0.0	-72.36	394.47	7.64	-64.72
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CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013847760	1	53	0.0	-56.64	387.27	9.20	-47.44
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CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013847778	0	55	0.0	-71.06	405.26	5.72	-65.34
CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013847778	1	55	0.0	-70.60	405.33	5.74	-64.86
CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013847779	0	60	0.0	-77.41	448.29	9.83	-67.58
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CCC[N@H+](CC)C[C@H](C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013847780	0	50	0.0	-75.97	385.17	7.89	-68.08
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CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013847781	0	56	0.0	-76.67	400.03	9.97	-66.70
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CCC[N@H+](CC)C[C@H](C)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013847782	0	58	0.0	-74.52	437.76	9.21	-65.31
CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013847782	1	58	0.0	-74.62	437.47	9.20	-65.42
CCC[N@H+](CC)C[C@H](C)NC(=O)NCCCCCCC(=O)[O-]	REAL300013847783	0	55	0.0	-75.33	416.26	8.43	-66.90
CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCCCCCC(=O)[O-]	REAL300013847783	1	55	0.0	-75.65	415.97	8.42	-67.23
CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013847784	0	53	0.0	-77.26	377.09	8.99	-68.27
CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013847784	1	53	0.0	-77.90	380.80	9.31	-68.59
CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013847785	0	57	0.0	-80.02	411.63	9.06	-70.96
CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013847785	1	57	0.0	-81.38	413.08	8.45	-72.93
CCC[N@H+](CC)C[C@H](C)NC(=O)N(CCOC)CCC(=O)[O-]	REAL300013847786	0	53	0.0	-54.43	401.07	7.82	-46.61
CCC[N@@H+](CC)C[C@H](C)NC(=O)N(CCOC)CCC(=O)[O-]	REAL300013847786	1	53	0.0	-54.89	400.90	7.79	-47.10
CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013847787	0	59	0.0	-76.24	440.84	10.16	-66.08
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CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013847788	0	56	0.0	-76.87	402.16	9.71	-67.16
CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013847788	1	56	0.0	-76.63	406.15	9.99	-66.64
CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013847789	0	54	0.0	-67.11	399.22	11.07	-56.04
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CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013847790	0	61	0.0	-66.29	451.31	7.80	-58.49
CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCOC(CN(CC(=O)[O-])C(C)=O)C1	REAL300013847790	1	61	0.0	-74.05	455.60	8.11	-65.94
CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013847791	0	51	0.0	-66.23	378.66	7.30	-58.93
CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013847791	1	51	0.0	-65.90	378.59	7.35	-58.55
CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013847792	0	53	0.0	-54.55	381.35	9.14	-45.41
CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013847792	1	53	0.0	-54.44	381.41	9.14	-45.30
CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013847793	0	57	0.0	-61.21	424.12	10.74	-50.47
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CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013847794	1	51	0.0	-72.93	375.44	6.14	-66.79
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C[NH+](C)C1CCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013849344	0	58	0.0	-75.33	420.07	10.95	-64.38
CC1CC(C(=O)[O-])CN(C(=O)NC2CCC([NH+](C)C)CC2)C1	REAL300013849345	0	51	0.0	-59.32	359.71	8.89	-50.43
C[NH+](C)C1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013849346	0	51	0.0	-75.81	360.68	7.92	-67.89
CC1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1C(=O)[O-]	REAL300013849347	0	51	0.0	-82.72	353.22	8.27	-74.45
C[NH+](C)C1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013849348	0	52	0.0	-63.45	369.04	5.74	-57.71
CCC(CC)(CNC(=O)NC1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300013849349	0	53	0.0	-69.67	378.98	6.84	-62.83
CC(NC(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013849350	0	57	0.0	-78.27	410.24	8.26	-70.01
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C[NH+](C)C1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013849352	0	54	0.0	-76.10	387.92	9.08	-67.02
C[NH+](C)C1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013849353	0	50	0.0	-76.35	365.38	5.82	-70.53
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CC1CN(C(=O)NC2CCC([NH+](C)C)CC2)CCC1C(=O)[O-]	REAL300013849355	0	51	0.0	-72.43	360.39	8.37	-64.06
C[NH+](C)C1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013849356	0	51	0.0	-75.72	378.89	7.13	-68.59
C[NH+](C)C1CCC(NC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013849357	0	51	0.0	-75.81	360.68	7.92	-67.89
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C[NH+](C)C1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013849359	0	48	0.0	-75.67	360.32	7.79	-67.88
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CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC3CCC([NH+](C)C)CC3)C2)C=N1	REAL300013849362	0	58	0.0	-81.64	430.51	8.94	-72.70
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C[NH+](C)C1CCC(NC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013849366	0	56	0.0	-78.59	414.95	8.70	-69.89
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C[NH+](C)C1CCC(NC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013849378	0	49	0.0	-80.21	352.98	5.58	-74.63
C[NH+](C)C1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013849379	0	52	0.0	-75.44	389.40	8.91	-66.53
C[NH+](C)C1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013849380	0	55	0.0	-86.30	399.47	7.47	-78.83
COCC1(C(=O)[O-])CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1	REAL300013849381	0	55	0.0	-78.75	392.69	7.06	-71.69
C[NH+](C)C1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013849382	0	57	0.0	-75.35	390.35	8.36	-66.99
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O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C3OC(F)(F)OC3=C2)CC1	REAL300013849430	1	45	0.0	-38.85	372.36	5.34	-33.51
CC1=CC=C([C@@H]2C[C@H]2NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013849500	1	49	0.0	-37.23	382.16	8.37	-28.86
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2CCC2)C2CCCC2)CC1	REAL300013849568	1	55	0.0	-34.14	396.09	8.47	-25.67
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O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300013849727	0	48	0.0	-79.34	381.62	7.59	-71.75
CC(=O)N1CCN(C2=CC(CNC(=O)NCCCC(=O)[O-])=CC=[NH+]2)CC1	REAL300013849731	1	51	0.0	-74.57	403.04	4.20	-70.37
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)NCCCC(=O)[O-]	REAL300013849745	0	47	0.0	-65.04	374.79	9.00	-56.04
CCCC[N@H+](C)CC1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013849750	0	53	0.0	-74.74	390.96	9.04	-65.70
CCCC[N@@H+](C)CC1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013849750	1	53	0.0	-74.58	390.92	9.04	-65.54
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013849754	0	47	0.0	-75.69	380.61	9.23	-66.46
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CC[NH+](CC)C(CNC(=O)NCCCC(=O)[O-])C1=CC=CO1	REAL300013849759	0	47	0.0	-65.32	356.12	5.92	-59.40
O=C([O-])CCCNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300013849761	1	42	0.0	-74.48	346.27	5.86	-68.62
O=C([O-])CCCNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300013849761	1	42	0.0	-74.51	346.26	5.86	-68.65
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCCCC(=O)[O-])C1	REAL300013849780	0	53	0.0	-63.48	376.83	6.93	-56.55
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCCCC(=O)[O-])C1	REAL300013849783	0	48	0.0	-70.09	375.41	7.65	-62.44
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCCCC(=O)[O-])C1	REAL300013849783	1	48	0.0	-69.90	374.50	7.49	-62.41
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C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCCCC(=O)[O-])CC1	REAL300013849821	0	55	0.0	-68.61	396.19	4.83	-63.78
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CC(CNC(=O)NCCCC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300013849912	1	47	0.0	-70.86	362.81	6.93	-63.93
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C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCCCC(=O)[O-])CC1	REAL300013849984	0	49	0.0	-65.25	390.15	5.07	-60.18
CC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013849986	0	51	0.0	-67.52	394.34	8.14	-59.38
CC[NH+]1CCN(C2=CC(CNC(=O)NCCCC(=O)[O-])=CC=N2)CC1	REAL300013849996	0	52	0.0	-71.31	405.49	5.61	-65.70
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O=C([O-])CCCNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013850008	0	52	0.0	-71.81	411.33	7.24	-64.57
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013850011	1	48	0.0	-72.24	364.81	8.88	-63.36
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013850011	1	48	0.0	-72.08	366.64	9.07	-63.01
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCCCC(=O)[O-])CC2)=N1	REAL300013850020	1	53	0.0	-75.36	415.47	4.80	-70.56
CC1CC[NH+](C(CNC(=O)NCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013850025	0	54	0.0	-66.19	408.18	9.70	-56.49
C[N@H+](CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-])C1CCCCC1	REAL300013850041	0	57	0.0	-65.60	425.91	9.64	-55.96
C[N@@H+](CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-])C1CCCCC1	REAL300013850041	1	57	0.0	-63.96	421.54	10.11	-53.85
O=C([O-])CCCNC(=O)N1CC[NH+](CCC2=CC=CS2)CC1	REAL300013850055	1	45	0.0	-74.80	363.04	8.25	-66.55
COC1=CC=C(N2CC[NH+](CCNC(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013850062	1	54	0.0	-76.45	415.81	4.81	-71.64
CN1CCC([NH+]2CCC(NC(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013850067	0	53	0.0	-71.30	387.34	4.26	-67.04
O=C([O-])CCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013850097	0	52	0.0	-68.20	376.43	7.04	-61.16
O=C([O-])CCCNC(=O)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1	REAL300013850099	0	62	0.0	-75.21	429.83	10.82	-64.39
O=C([O-])CCCNC(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1	REAL300013850107	0	56	0.0	-69.90	433.12	4.25	-65.65
O=C([O-])CCCNC(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1	REAL300013850107	1	56	0.0	-71.44	429.21	4.60	-66.84
O=C([O-])CCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300013850109	0	54	0.0	-61.92	398.80	9.29	-52.63
C[NH+](C)CCN(CC1=CC=C(Br)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013850111	0	47	0.0	-74.39	395.50	9.79	-64.60
C[NH+](C)CCN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013850148	0	50	0.0	-75.93	413.03	10.14	-65.79
O=C([O-])CCCNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013850152	1	52	0.0	-71.58	403.71	2.73	-68.85
O=C([O-])CCCNC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013850176	0	50	0.0	-79.70	392.48	6.64	-73.06
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCCCC(=O)[O-]	REAL300013850185	0	53	0.0	-74.86	400.48	8.70	-66.16
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCCCC(=O)[O-]	REAL300013850185	1	53	0.0	-73.69	393.23	8.66	-65.03
O=C([O-])CCCNC(=O)N(CCC[NH+]1CCOCC1)CC1=CC=NC=C1	REAL300013850199	1	54	0.0	-77.31	420.83	7.70	-69.61
O=C([O-])CCCNC(=O)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300013850202	0	49	0.0	-74.75	374.15	9.47	-65.28
CC([NH2+]C(C)(C)CNC(=O)NCCCC(=O)[O-])C1=CC=CC=C1	REAL300013850209	0	50	0.0	-69.67	380.64	6.43	-63.24
CC([NH2+]C1(CNC(=O)NCCCC(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013850210	0	54	0.0	-70.26	403.79	7.41	-62.85
CCC(CC)(CNC(=O)NCCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013850211	0	56	0.0	-68.01	409.58	7.55	-60.46
CN(C(=O)NCCCC(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013850215	0	51	0.0	-73.33	388.51	9.63	-63.70
CC(NC(=O)NCCCC(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013850222	0	53	0.0	-74.13	415.35	7.17	-66.96
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)NCCCC(=O)[O-])CC1	REAL300013850223	0	56	0.0	-72.82	433.09	7.85	-64.97
O=C([O-])CCCNC(=O)N1CCC[N@H+](CCCC2=CC=CC=C2)CC1	REAL300013850225	0	54	0.0	-73.41	408.31	11.20	-62.21
O=C([O-])CCCNC(=O)N1CCC[N@@H+](CCCC2=CC=CC=C2)CC1	REAL300013850225	1	54	0.0	-73.49	408.31	11.23	-62.26
CC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+]2CCCC2)O1	REAL300013850265	0	48	0.0	-66.35	372.73	6.49	-59.86
COCCC[NH+]1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013850292	0	48	0.0	-72.56	371.80	4.48	-68.08
CN(C(=O)NCCCC(=O)[O-])C1CC[NH+](CCC2=CC=CC=N2)CC1	REAL300013850295	0	53	0.0	-74.83	405.20	8.70	-66.13
CN(C(=O)NCCCC(=O)[O-])C1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013850296	0	53	0.0	-81.15	405.45	8.69	-72.46
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013850312	0	54	0.0	-77.18	406.86	10.44	-66.74
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013850312	1	54	0.0	-77.02	406.85	10.44	-66.58
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013850322	0	50	0.0	-72.01	388.99	9.53	-62.48
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013850323	0	51	0.0	-82.48	413.73	4.85	-77.63
C[NH+]1CCN(CC(NC(=O)NCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300013850342	0	53	0.0	-69.21	414.02	6.59	-62.62
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013850348	0	55	0.0	-73.28	436.36	5.95	-67.33
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013850348	1	55	0.0	-73.28	436.36	5.96	-67.32
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCCCC(=O)[O-])=C2)CC1	REAL300013850352	0	54	0.0	-72.21	418.59	8.84	-63.37
C[N@H+](CCOC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1)C1CCOCC1	REAL300013850353	0	59	0.0	-75.82	453.38	6.78	-69.04
C[N@@H+](CCOC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1)C1CCOCC1	REAL300013850353	1	59	0.0	-74.57	451.50	6.99	-67.58
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCCCC(=O)[O-])=C2)CC1	REAL300013850356	0	53	0.0	-70.60	414.80	5.78	-64.82
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCCCC(=O)[O-])=C2)CC1	REAL300013850356	1	53	0.0	-72.14	414.25	5.66	-66.48
CC1CC[NH+](CC2CCCN(C(=O)NCCCC(=O)[O-])C2)CC1	REAL300013850374	0	54	0.0	-67.79	393.00	9.32	-58.47
CC(C)(CNC(=O)NCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013850379	0	51	0.0	-68.24	380.67	7.82	-60.42
CC(C)(CNC(=O)NCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013850379	1	51	0.0	-67.49	380.45	7.91	-59.58
O=C([O-])CCCNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	REAL300013850391	1	48	0.0	-77.68	387.99	6.63	-71.05
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)NCCCC(=O)[O-]	REAL300013850393	0	53	0.0	-70.44	404.51	10.29	-60.15
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)NCCCC(=O)[O-]	REAL300013850399	0	53	0.0	-72.25	414.17	10.58	-61.67
O=C([O-])CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300013850409	0	49	0.0	-74.74	370.27	6.35	-68.39
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013850412	0	51	0.0	-74.96	408.62	6.80	-68.16
COC1=C(C)C=NC(C[NH+]2CCC(N(C)C(=O)NCCCC(=O)[O-])CC2)=C1C	REAL300013850414	0	60	0.0	-72.24	444.32	8.09	-64.15
COC1=C(C)C=[NH+]C(CN2CCC(N(C)C(=O)NCCCC(=O)[O-])CC2)=C1C	REAL300013850414	1	60	0.0	-67.99	454.36	7.38	-60.61
O=C([O-])CCCNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300013850415	0	51	0.0	-74.59	402.47	8.31	-66.28
O=C([O-])CCCNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300013850415	1	51	0.0	-74.59	402.38	8.32	-66.27
CC(CNC(=O)NCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013850440	0	48	0.0	-70.07	366.34	7.41	-62.66
CC(CNC(=O)NCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013850440	1	48	0.0	-70.22	366.07	7.38	-62.84
CC(CNC(=O)NCCCC(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300013850441	1	45	0.0	-70.75	358.22	6.85	-63.90
CC(CNC(=O)NCCCC(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300013850441	1	45	0.0	-71.38	357.19	6.45	-64.93
O=C([O-])CCCNC(=O)N1CC[NH+](CC2CCCCC2)CC1	REAL300013850455	0	51	0.0	-71.66	371.96	8.71	-62.95
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)NCCCC(=O)[O-]	REAL300013850456	0	47	0.0	-69.00	385.22	9.44	-59.56
C[NH+](C)CCN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)NCCCC(=O)[O-]	REAL300013850457	0	50	0.0	-68.38	407.55	9.96	-58.42
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)NCCCC(=O)[O-]	REAL300013850458	0	47	0.0	-68.92	374.88	8.99	-59.93
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)NCCCC(=O)[O-]	REAL300013850459	0	47	0.0	-74.37	387.00	9.28	-65.09
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)NCCCC(=O)[O-]	REAL300013850460	0	47	0.0	-79.59	380.87	9.24	-70.35
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])CC1	REAL300013850466	0	50	0.0	-68.11	392.56	6.12	-61.99
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013850471	0	51	0.0	-73.74	381.70	6.58	-67.16
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)NCCCC(=O)[O-])CC1	REAL300013850481	1	51	0.0	-82.83	408.29	2.34	-80.49
O=C([O-])CCCNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300013850483	0	54	0.0	-77.79	423.34	6.69	-71.10
C[N@H+](CCN1CCN(C(=O)NCCCC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013850488	0	56	0.0	-75.47	423.60	8.03	-67.44
C[N@@H+](CCN1CCN(C(=O)NCCCC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013850488	1	56	0.0	-75.30	423.66	8.03	-67.27
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCCCC(=O)[O-])C=C1	REAL300013850489	0	51	0.0	-72.70	407.55	6.92	-65.78
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013850516	0	47	0.0	-71.25	373.91	7.02	-64.23
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013850516	1	47	0.0	-71.39	373.90	7.01	-64.38
COC1=CC=[NH+]C(N2CCN(C(=O)NCCCC(=O)[O-])CC2)=C1	REAL300013850522	0	45	0.0	-66.39	351.53	4.86	-61.53
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCCC(=O)[O-]	REAL300013850530	0	52	0.0	-67.64	385.61	5.64	-62.00
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCCC(=O)[O-]	REAL300013850530	1	52	0.0	-67.93	385.89	5.63	-62.30
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCCC(=O)[O-]	REAL300013850530	1	52	0.0	-72.43	385.95	5.73	-66.70
C[NH+](C)CCCN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NCCCC(=O)[O-]	REAL300013850532	0	50	0.0	-70.88	427.71	10.89	-59.99
CC1C[NH+](CC2CCCN2C(=O)NCCCC(=O)[O-])CC(C)O1	REAL300013850533	1	52	0.0	-64.03	378.83	6.67	-57.36
CC1CCC(C)[NH+]1CCN1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013850536	0	56	0.0	-68.76	401.61	6.31	-62.45
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013850538	0	47	0.0	-72.19	372.89	8.76	-63.43
O=C([O-])CCCNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300013850540	0	52	0.0	-77.01	408.82	4.87	-72.14
CC[NH+](CC)CCN(CCOC)C(=O)NCCCC(=O)[O-]	REAL300013850541	0	50	0.0	-62.80	382.37	6.67	-56.13
O=C([O-])CCCNC(=O)N1CCCC(C[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300013850584	0	59	0.0	-71.86	438.70	9.03	-62.83
O=C([O-])CCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300013850607	0	49	0.0	-66.28	352.73	4.26	-62.02
CC1(C)CN(C(=O)NCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013850609	0	51	0.0	-67.75	378.46	9.31	-58.44
CC1(C)CN(C(=O)NCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013850609	1	51	0.0	-67.74	378.50	9.31	-58.43
CCCN(C(=O)NCCCC(=O)[O-])C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013850677	0	57	0.0	-72.33	403.64	11.62	-60.71
CCCN(C(=O)NCCCC(=O)[O-])C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013850677	1	57	0.0	-62.72	409.06	11.36	-51.36
CC[NH+]1CCN(C2CCN(C(=O)NCCCC(=O)[O-])C2)CC1	REAL300013850702	0	50	0.0	-71.74	374.06	5.17	-66.57
O=C([O-])CCCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300013850707	0	51	0.0	-72.43	408.93	8.71	-63.72
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2F)CC1	REAL300013850708	0	53	0.0	-74.00	417.73	6.52	-67.48
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)NCCCC(=O)[O-]	REAL300013850713	0	46	0.0	-77.16	365.41	7.13	-70.03
O=C([O-])CCCNC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013850715	0	53	0.0	-78.63	424.51	6.83	-71.80
O=C([O-])CCCNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013850736	1	49	0.0	-74.00	389.08	5.81	-68.19
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013850741	0	47	0.0	-79.14	370.53	5.83	-73.31
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1OC	REAL300013850742	0	58	0.0	-71.37	450.49	7.35	-64.02
O=C([O-])CCCNC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013850754	0	59	0.0	-74.50	453.63	7.31	-67.19
O=C([O-])CCCNC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013850754	1	59	0.0	-73.64	453.61	7.27	-66.37
O=C([O-])CCCNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013850762	0	56	0.0	-76.48	429.29	7.09	-69.39
CC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013850778	0	47	0.0	-69.04	365.89	8.03	-61.01
O=C([O-])CCCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013850792	0	51	0.0	-68.34	388.57	8.46	-59.88
O=C([O-])CCCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013850792	1	51	0.0	-68.35	388.51	8.48	-59.87
O=C([O-])CCCNC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013850794	0	51	0.0	-71.92	388.50	8.22	-63.70
O=C([O-])CCCNC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013850794	1	51	0.0	-72.66	395.36	8.24	-64.42
COC1CC[NH+](C(C)(C)CNC(=O)NCCCC(=O)[O-])CC1	REAL300013850795	0	51	0.0	-67.68	374.38	4.76	-62.92
COC1CC[NH+](C2(CNC(=O)NCCCC(=O)[O-])CCCC2)CC1	REAL300013850796	0	55	0.0	-67.07	396.17	5.75	-61.32
COCC[NH+]1CCC(CNC(=O)NCCCC(=O)[O-])CC1	REAL300013850800	0	48	0.0	-71.22	369.13	4.53	-66.69
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)NCCCC(=O)[O-])=C2)C1	REAL300013850801	0	55	0.0	-76.46	433.74	4.84	-71.62
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)NCCCC(=O)[O-])=C2)C1	REAL300013850801	1	55	0.0	-70.79	427.41	5.04	-65.75
CC1(C)C[N@@H+](C2(CNC(=O)NCCCC(=O)[O-])CCCCC2)CCO1	REAL300013850815	0	58	0.0	-65.88	402.52	6.22	-59.66
CC1(C)C[N@H+](C2(CNC(=O)NCCCC(=O)[O-])CCCCC2)CCO1	REAL300013850815	1	58	0.0	-66.27	402.37	6.21	-60.06
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCCC(=O)[O-])CCC1	REAL300013850834	0	51	0.0	-66.57	385.33	8.19	-58.38
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCCC(=O)[O-])CCC1	REAL300013850834	1	51	0.0	-68.10	387.04	7.75	-60.35
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300013850847	0	49	0.0	-75.52	371.49	4.73	-70.79
O=C([O-])CCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1	REAL300013850853	0	49	0.0	-74.58	362.93	6.30	-68.28
CN1CC[NH+](CCCCNC(=O)NCCCC(=O)[O-])CC1	REAL300013850856	0	49	0.0	-71.94	376.96	3.62	-68.32
C[NH+]1CCN(CCCCNC(=O)NCCCC(=O)[O-])CC1	REAL300013850856	1	49	0.0	-71.42	377.35	3.74	-67.68
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013850865	1	48	0.0	-72.18	364.92	8.88	-63.30
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013850865	1	48	0.0	-71.99	366.65	9.10	-62.89
O=C([O-])CCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300013850881	0	55	0.0	-69.37	390.92	5.91	-63.46
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCCCC(=O)[O-]	REAL300013850900	0	49	0.0	-68.31	390.63	8.65	-59.66
C[NH+](C)CCN(CC1=CC=CS1)C(=O)NCCCC(=O)[O-]	REAL300013850901	0	44	0.0	-69.06	362.94	8.31	-60.75
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCC(=O)[O-]	REAL300013850937	0	48	0.0	-70.11	354.17	4.82	-65.29
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCC(=O)[O-]	REAL300013850937	1	48	0.0	-70.31	352.29	4.55	-65.76
O=C([O-])CCCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300013850962	0	49	0.0	-69.04	363.28	6.27	-62.77
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCC(=O)[O-]	REAL300013850963	0	54	0.0	-71.96	405.23	8.95	-63.01
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCC(=O)[O-]	REAL300013850963	1	54	0.0	-72.32	403.98	9.25	-63.07
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013850977	0	55	0.0	-79.73	431.57	6.41	-73.32
CC1CN(C(=O)NCCCC(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300013850989	0	51	0.0	-71.64	382.03	9.82	-61.82
CC1CN(C(=O)NCCCC(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013850989	1	51	0.0	-68.15	381.96	9.67	-58.48
C[NH+](C)CCN(CC1CCCCC1)C(=O)NCCCC(=O)[O-]	REAL300013850991	0	53	0.0	-70.15	394.13	9.14	-61.01
O=C([O-])CCCNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1	REAL300013850999	0	49	0.0	-72.60	353.25	6.44	-66.16
O=C([O-])CCCNC(=O)N1CCC[N@H+](C2CCOCC2)CC1	REAL300013850999	1	49	0.0	-72.33	352.86	6.44	-65.89
CC1CC(N(C)C(=O)NCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013851000	0	54	0.0	-70.25	405.18	10.11	-60.14
CC1CC(N(C)C(=O)NCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013851000	1	54	0.0	-71.80	398.35	9.79	-62.01
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)NCCCC(=O)[O-]	REAL300013851008	1	53	0.0	-69.76	403.41	7.88	-61.88
C[NH+](C)CCOC1=CC=CC=C1N1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013851011	0	57	0.0	-72.12	430.73	7.79	-64.33
CC(C)C1CCC([NH+]2CCN(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013851015	0	57	0.0	-69.82	405.51	9.47	-60.35
O=C([O-])CCCNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C2(CCCCC2)C1	REAL300013851034	0	58	0.0	-67.04	414.92	11.01	-56.03
O=C([O-])CCCNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C2(CCCCC2)C1	REAL300013851034	1	58	0.0	-69.42	412.58	10.87	-58.55
CN(CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)NCCCC(=O)[O-]	REAL300013851051	0	53	0.0	-71.43	404.42	7.41	-64.02
CC[N@H+](CCC1CCN(C(=O)NCCCC(=O)[O-])CC1)CC1CC1	REAL300013851061	0	57	0.0	-72.60	420.27	10.33	-62.27
CC[N@@H+](CCC1CCN(C(=O)NCCCC(=O)[O-])CC1)CC1CC1	REAL300013851061	1	57	0.0	-73.38	420.40	10.35	-63.03
CC1CN(C(=O)NCCCC(=O)[O-])CC[N@@H+]1CC(C)(C)O	REAL300013851074	0	48	0.0	-67.42	353.97	3.95	-63.47
CC1CN(C(=O)NCCCC(=O)[O-])CC[N@H+]1CC(C)(C)O	REAL300013851074	1	48	0.0	-67.32	350.12	4.64	-62.68
C[NH+](C)CC(NC(=O)NCCCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013851101	0	44	0.0	-65.51	366.35	7.12	-58.39
O=C([O-])CCCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1	REAL300013851122	0	52	0.0	-76.23	384.72	6.90	-69.33
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013851131	0	56	0.0	-63.35	371.21	8.29	-55.06
O=C([O-])CCCNC(=O)N1CCN(C2=CC(N3CCOCC3)=NC=[NH+]2)CC1	REAL300013851140	0	53	0.0	-68.22	404.07	5.36	-62.86
O=C([O-])CCCNC(=O)N1CCN(C2=CC(N3CCOCC3)=[NH+]C=N2)CC1	REAL300013851140	1	53	0.0	-68.84	404.02	5.37	-63.47
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCCCC(=O)[O-]	REAL300013851155	0	51	0.0	-72.55	397.27	4.75	-67.80
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCCCC(=O)[O-]	REAL300013851155	1	51	0.0	-73.40	394.44	4.73	-68.67
C[N@H+](CCCO)C1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013851156	0	48	0.0	-74.39	358.53	3.96	-70.43
C[N@@H+](CCCO)C1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013851156	1	48	0.0	-74.51	358.54	3.95	-70.56
COC1=CC(C[N@@H+]2CCC(NC(=O)NCCCC(=O)[O-])C2)=CC(OC)=C1	REAL300013851170	1	53	0.0	-75.63	417.96	5.53	-70.10
COC1=CC(C[N@H+]2CCC(NC(=O)NCCCC(=O)[O-])C2)=CC(OC)=C1	REAL300013851170	1	53	0.0	-75.50	418.08	5.57	-69.93
O=C([O-])CCCNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013851206	0	47	0.0	-71.17	366.84	4.49	-66.68
CC[N@H+](CCC1CCN(C(=O)NCCCC(=O)[O-])CC1)CC(C)C	REAL300013851214	0	59	0.0	-72.10	426.09	10.21	-61.89
CC[N@@H+](CCC1CCN(C(=O)NCCCC(=O)[O-])CC1)CC(C)C	REAL300013851214	1	59	0.0	-72.31	426.69	10.26	-62.05
COC(=O)CC[N@@H+]1CCN(C(=O)NCCCC(=O)[O-])C(C)C1	REAL300013851222	1	47	0.0	-78.11	361.40	6.72	-71.39
COC(=O)CC[N@H+]1CCN(C(=O)NCCCC(=O)[O-])C(C)C1	REAL300013851222	1	47	0.0	-77.69	363.33	6.92	-70.77
O=C([O-])CCCNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013851223	0	55	0.0	-73.02	431.10	8.22	-64.80
CC1C[NH+](CCOC2=CC=C(CCNC(=O)NCCCC(=O)[O-])C=C2)CC1C	REAL300013851226	0	61	0.0	-72.87	468.20	9.08	-63.79
C[NH+](C)CCC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013851239	0	47	0.0	-75.23	378.65	7.20	-68.03
O=C([O-])CCCNC(=O)N1CCC([NH2+]C2CCS(=O)(=O)C2)CC1	REAL300013851245	0	48	0.0	-96.68	374.13	2.47	-94.21
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013851267	0	52	0.0	-75.73	407.56	7.06	-68.67
C[N@@H+]1CCN(C(=O)NCCCC(=O)[O-])CC1CC1=CC=CC=C1	REAL300013851272	1	48	0.0	-76.53	368.79	8.78	-67.75
C[N@H+]1CCN(C(=O)NCCCC(=O)[O-])CC1CC1=CC=CC=C1	REAL300013851272	1	48	0.0	-76.31	367.77	8.77	-67.54
COC1=CC=C(C(C[NH+](C)C)NC(=O)NCCCC(=O)[O-])C=C1	REAL300013851276	0	48	0.0	-69.36	382.06	6.62	-62.74
CC[NH+]1CCN(CC(C)(C)NC(=O)NCCCC(=O)[O-])CC1	REAL300013851286	0	52	0.0	-68.74	379.35	5.59	-63.15
CCN1CC[NH+](CC(C)(C)NC(=O)NCCCC(=O)[O-])CC1	REAL300013851286	1	52	0.0	-70.31	375.43	5.06	-65.25
CN(C(=O)NCCCC(=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1	REAL300013851300	0	47	0.0	-78.65	369.23	7.84	-70.81
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)NCCCC(=O)[O-]	REAL300013851311	0	51	0.0	-67.92	379.00	10.02	-57.90
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)NCCCC(=O)[O-]	REAL300013851311	1	51	0.0	-68.43	377.13	9.46	-58.97
O=C([O-])CCCNC(=O)NCC1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013851313	0	49	0.0	-72.12	387.49	4.32	-67.80
O=C([O-])CCCNC(=O)NCC1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013851313	1	49	0.0	-72.20	388.51	4.53	-67.67
CC(NC(=O)NCCCC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013851316	1	52	0.0	-74.32	404.39	6.73	-67.59
CC(NC(=O)NCCCC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013851316	1	52	0.0	-71.65	395.88	6.64	-65.01
C[NH+](C)CCN(CC1CCCO1)C(=O)NCCCC(=O)[O-]	REAL300013851329	0	48	0.0	-71.03	369.01	6.90	-64.13
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCCCC(=O)[O-]	REAL300013851332	1	53	0.0	-73.61	404.66	6.66	-66.95
CC1CC(NC(=O)NCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013851354	0	48	0.0	-70.49	371.96	7.11	-63.38
CC1CC(NC(=O)NCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013851354	1	48	0.0	-70.93	378.15	7.42	-63.51
CC(C)CC(CNC(=O)NCCCC(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013851357	0	56	0.0	-72.87	423.17	7.80	-65.07
CCCC1CN(C(=O)NCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013851366	0	54	0.0	-69.66	406.29	10.13	-59.53
CCCC1CN(C(=O)NCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013851366	1	54	0.0	-69.67	406.30	10.13	-59.54
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013851367	0	47	0.0	-72.33	371.37	7.59	-64.74
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013851367	1	47	0.0	-73.31	371.22	7.57	-65.74
CC(NC(=O)NCCCC(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013851392	0	47	0.0	-68.90	357.01	7.06	-61.84
CC1=CC=CC=C1C(C(C)NC(=O)NCCCC(=O)[O-])[NH+](C)C	REAL300013851393	0	50	0.0	-68.45	368.91	7.87	-60.58
CCC[N@H+](C)C(CNC(=O)NCCCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013851396	0	50	0.0	-70.67	394.96	7.86	-62.81
CCC[N@@H+](C)C(CNC(=O)NCCCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013851396	1	50	0.0	-70.65	395.28	7.87	-62.78
O=C([O-])CCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300013851419	1	50	0.0	-70.70	356.06	3.34	-67.36
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013851436	1	51	0.0	-67.28	405.94	9.02	-58.26
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013851436	1	51	0.0	-68.82	407.87	8.35	-60.47
C[NH+](C)C1(CNC(=O)NCCCC(=O)[O-])CC2=CC=CC=C2C1	REAL300013851439	0	48	0.0	-67.70	362.52	6.92	-60.78
O=C([O-])CCCNC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013851510	0	52	0.0	-67.61	382.89	3.96	-63.65
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCCCC(=O)[O-])=C1	REAL300013851547	0	51	0.0	-69.47	398.02	8.24	-61.23
CCC(C)[NH2+]C(CNC(=O)NCCCC(=O)[O-])C1=CC=CO1	REAL300013851572	0	47	0.0	-67.58	372.05	4.90	-62.68
CN(CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)NCCCC(=O)[O-]	REAL300013851576	0	56	0.0	-70.76	426.85	7.92	-62.84
O=C([O-])CCCNC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(F)=C1	REAL300013851589	0	55	0.0	-78.49	443.13	10.40	-68.09
O=C([O-])CCCNC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(F)=C1	REAL300013851589	1	55	0.0	-79.90	441.24	10.40	-69.50
C[NH+](C)CCN(CC1=CSC=C1)C(=O)NCCCC(=O)[O-]	REAL300013851591	0	44	0.0	-71.50	362.16	8.16	-63.34
C[N@H+](CCCOC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-])C1CCCC1	REAL300013851628	0	61	0.0	-69.59	467.64	9.40	-60.19
C[N@@H+](CCCOC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-])C1CCCC1	REAL300013851628	1	61	0.0	-69.09	467.63	9.39	-59.70
CC(CNC(=O)NCCCC(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013851639	0	49	0.0	-68.80	370.85	3.61	-65.19
CC(CNC(=O)NCCCC(=O)[O-])CN1CC[NH+](C)CC1	REAL300013851639	1	49	0.0	-71.62	374.35	4.03	-67.59
CCN1CC[NH+](CC(C)CNC(=O)NCCCC(=O)[O-])CC1	REAL300013851640	0	52	0.0	-68.80	388.99	4.42	-64.38
CC[NH+]1CCN(CC(C)CNC(=O)NCCCC(=O)[O-])CC1	REAL300013851640	1	52	0.0	-70.29	392.09	4.71	-65.58
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013851641	0	56	0.0	-70.97	434.79	9.25	-61.72
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013851641	1	56	0.0	-71.21	435.07	9.24	-61.97
CC(C)[NH+]1CCC(O)(CNC(=O)NCCCC(=O)[O-])CC1	REAL300013851652	0	48	0.0	-69.07	359.47	2.93	-66.14
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCCCC(=O)[O-]	REAL300013851663	0	54	0.0	-74.16	408.11	8.47	-65.69
CCC(NC(=O)NCCCC(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013851664	1	55	0.0	-71.78	409.25	7.01	-64.77
CCC(NC(=O)NCCCC(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013851664	1	55	0.0	-72.30	410.51	6.87	-65.43
CN(CCCN1CC[NH+](C)CC1)C(=O)NCCCC(=O)[O-]	REAL300013851676	0	49	0.0	-68.70	373.21	5.35	-63.35
CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCCC(=O)[O-]	REAL300013851676	1	49	0.0	-67.53	372.82	5.22	-62.31
CC(NC(=O)NCCCC(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013851681	0	51	0.0	-71.43	398.93	8.35	-63.08
CC(NC(=O)NCCCC(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013851681	1	51	0.0	-74.50	397.41	8.08	-66.42
O=C([O-])CCCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300013851691	0	55	0.0	-75.15	406.22	7.68	-67.47
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])CC1	REAL300013851701	0	54	0.0	-63.13	409.48	9.76	-53.37
CC[N@H+](CCNC(=O)NCCCC(=O)[O-])CCC(F)(F)F	REAL300013851718	0	43	0.0	-75.77	346.72	4.94	-70.83
CC[N@@H+](CCNC(=O)NCCCC(=O)[O-])CCC(F)(F)F	REAL300013851718	1	43	0.0	-76.35	351.19	5.21	-71.14
O=C([O-])CCCNC(=O)N1CCN(C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013851721	0	57	0.0	-74.65	428.47	8.43	-66.22
O=C([O-])CCCNC(=O)N1CCN(C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013851721	1	57	0.0	-74.50	428.23	8.31	-66.19
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)NCCCC(=O)[O-])C1	REAL300013851726	0	45	0.0	-75.09	361.36	7.86	-67.23
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)NCCCC(=O)[O-])C1	REAL300013851726	1	45	0.0	-75.58	360.94	7.97	-67.61
O=C([O-])CCCNC(=O)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013851727	0	52	0.0	-76.15	399.92	9.55	-66.60
O=C([O-])CCCNC(=O)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013851727	1	52	0.0	-76.42	399.78	9.57	-66.85
COCC[NH+](CCOC)C1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013851734	0	55	0.0	-68.72	400.40	5.74	-62.98
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCCCC(=O)[O-])C2	REAL300013851737	0	52	0.0	-75.58	387.49	4.85	-70.73
C[N@@H+]1CC2CN(C(=O)NCCCC(=O)[O-])CC2C1C1=CC=CC=C1	REAL300013851774	0	49	0.0	-75.80	371.05	8.68	-67.12
C[N@H+]1CC2CN(C(=O)NCCCC(=O)[O-])CC2C1C1=CC=CC=C1	REAL300013851774	1	49	0.0	-75.01	377.20	9.05	-65.96
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1	REAL300013851786	1	48	0.0	-78.45	396.51	8.15	-70.30
O=C([O-])CCCNC(=O)NC1CCCCC1[NH+]1CCOCC1	REAL300013851791	1	49	0.0	-68.06	360.39	5.31	-62.75
CC1CCCC[N@@H+]1CCC1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013851793	0	57	0.0	-71.75	403.38	9.48	-62.27
CC1CCCC[N@H+]1CCC1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013851793	1	57	0.0	-71.67	403.37	9.47	-62.20
CC1=CC=C(CNC(=O)NCCCC(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013851819	1	47	0.0	-63.03	363.89	6.13	-56.90
CC(NC(=O)NCCCC(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300013851821	0	51	0.0	-70.82	369.84	6.68	-64.14
CC(NC(=O)NCCCC(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300013851821	1	51	0.0	-66.95	375.42	7.43	-59.52
O=C([O-])CCCNC(=O)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1	REAL300013851824	0	52	0.0	-66.31	368.66	9.10	-57.21
O=C([O-])CCCNC(=O)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1	REAL300013851824	1	52	0.0	-66.98	382.84	9.68	-57.30
O=C([O-])CCCNC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300013851825	0	49	0.0	-66.46	387.22	4.43	-62.03
O=C([O-])CCCNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300013851825	1	49	0.0	-62.86	383.44	5.04	-57.82
CC[NH+](CC)CCCC1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013851838	0	56	0.0	-71.99	404.69	9.33	-62.66
O=C([O-])CCCNC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300013851847	1	49	0.0	-70.41	386.50	8.43	-61.98
O=C([O-])CCCNC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300013851847	1	49	0.0	-70.42	386.46	8.42	-62.00
O=C([O-])CCCNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300013851849	0	52	0.0	-72.69	399.63	6.71	-65.98
O=C([O-])CCCNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300013851849	1	52	0.0	-72.93	400.20	6.66	-66.27
CC1C[N@H+](CCCNC(=O)NCCCC(=O)[O-])CCCO1	REAL300013851867	0	48	0.0	-72.96	363.63	4.92	-68.04
CC1C[N@@H+](CCCNC(=O)NCCCC(=O)[O-])CCCO1	REAL300013851867	1	48	0.0	-71.98	364.50	4.48	-67.50
CN1CC[NH+](CC2CCN(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013851869	0	53	0.0	-73.73	388.33	6.14	-67.59
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)NCCCC(=O)[O-]	REAL300013851880	0	47	0.0	-71.10	374.06	7.76	-63.34
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)NCCCC(=O)[O-]	REAL300013851880	1	47	0.0	-70.54	373.00	7.67	-62.87
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013851903	0	51	0.0	-70.97	376.37	9.12	-61.85
O=C([O-])CCCNC(=O)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013851934	0	55	0.0	-72.27	407.79	10.46	-61.81
O=C([O-])CCCNC(=O)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013851934	1	55	0.0	-70.88	397.04	9.88	-61.00
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013851941	0	49	0.0	-74.49	365.21	5.78	-68.71
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013851941	1	49	0.0	-71.99	368.01	6.11	-65.88
CC1=CC=[NH+]C(N2CCN(C(=O)NCCCC(=O)[O-])CC2)=C1	REAL300013851946	1	44	0.0	-64.70	343.35	6.22	-58.48
O=C([O-])CCCNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300013851948	1	50	0.0	-76.64	403.01	6.04	-70.60
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300013851967	1	48	0.0	-79.20	408.96	8.60	-70.60
O=C([O-])CCCNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300013851976	0	55	0.0	-72.91	418.40	9.08	-63.83
O=C([O-])CCCNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300013851976	1	55	0.0	-73.55	412.50	9.56	-63.99
C[NH+](C)CC(NC(=O)NCCCC(=O)[O-])C1=CC=C(F)C=C1	REAL300013852008	0	44	0.0	-66.33	356.02	6.67	-59.66
CC(C)OC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013852014	0	54	0.0	-71.16	413.04	8.09	-63.07
CC(C)CC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013852020	0	56	0.0	-70.28	428.21	9.04	-61.24
CC1C(NC(=O)NCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013852031	0	48	0.0	-70.31	371.69	7.09	-63.22
CC1C(NC(=O)NCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013852031	1	48	0.0	-68.96	368.74	7.75	-61.21
C[N@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCCCC(=O)[O-])C1	REAL300013852038	0	48	0.0	-72.92	374.86	8.64	-64.28
C[N@@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCCCC(=O)[O-])C1	REAL300013852038	1	48	0.0	-73.71	374.80	8.64	-65.07
O=C([O-])CCCNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL300013852070	0	52	0.0	-66.64	405.96	5.11	-61.53
O=C([O-])CCCNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO	REAL300013852070	1	52	0.0	-67.73	396.19	5.11	-62.62
CC[NH+](CC)CCOCCN(CC1=CC=CC=C1)C(=O)NCCCC(=O)[O-]	REAL300013852098	0	60	0.0	-59.66	452.76	11.02	-48.64
CN1CC[NH+](CC2(C)CCN(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013852111	0	56	0.0	-71.98	395.51	6.30	-65.68
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=COC(C3=CC=CC=C3)=N2)CC1	REAL300013852121	1	54	0.0	-77.91	432.86	6.42	-71.49
CC1=C[NH+]=CC=C1OC1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013852129	1	46	0.0	-72.72	359.92	6.74	-65.98
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013852145	0	49	0.0	-71.57	355.53	5.87	-65.70
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013852145	1	49	0.0	-71.30	357.41	6.13	-65.17
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013852146	0	49	0.0	-71.29	357.29	6.13	-65.16
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013852146	1	49	0.0	-71.36	355.60	5.92	-65.44
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013852152	0	50	0.0	-70.97	402.71	5.03	-65.94
CN(C)CC[N@H+](C)CCCN(C)C(=O)NCCCC(=O)[O-]	REAL300013852154	0	51	0.0	-68.59	388.15	5.37	-63.22
CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCCCC(=O)[O-]	REAL300013852154	1	51	0.0	-69.20	388.03	5.36	-63.84
CN(CCCN(C)C(=O)NCCCC(=O)[O-])CC[NH+](C)C	REAL300013852154	1	51	0.0	-70.83	388.13	5.53	-65.30
CCCN(CC[NH+]1CCCCCC1)C(=O)NCCCC(=O)[O-]	REAL300013852155	0	53	0.0	-68.27	388.72	9.00	-59.27
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013852159	0	47	0.0	-73.33	371.19	7.57	-65.76
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013852159	1	47	0.0	-72.49	371.27	7.55	-64.94
O=C([O-])CCCNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013852199	0	48	0.0	-74.06	371.51	8.08	-65.98
O=C([O-])CCCNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013852199	1	48	0.0	-73.09	375.48	7.56	-65.53
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCCCC(=O)[O-]	REAL300013852209	0	51	0.0	-71.40	391.62	9.65	-61.75
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCCCC(=O)[O-]	REAL300013852209	1	51	0.0	-69.67	392.64	9.68	-59.99
CC(C)[NH+]1CCC(N2CCN(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013852219	0	56	0.0	-70.42	400.57	6.61	-63.81
O=C([O-])CCCNC(=O)N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300013852242	0	49	0.0	-69.85	356.01	7.82	-62.03
O=C([O-])CCCNC(=O)N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300013852242	1	49	0.0	-69.89	350.93	7.69	-62.20
CCC1CN(C(=O)NCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013852256	0	51	0.0	-69.33	385.30	9.39	-59.94
CCC1CN(C(=O)NCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013852256	1	51	0.0	-71.48	380.34	9.60	-61.88
C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCCC(=O)[O-])C[C@H](C)O1	REAL300013852288	1	48	0.0	-67.21	362.53	6.16	-61.05
C[C@@H]1C[N@H+](CCN(C)C(=O)NCCCC(=O)[O-])C[C@H](C)O1	REAL300013852288	1	48	0.0	-67.15	368.78	6.09	-61.06
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCCC(=O)[O-]	REAL300013852289	1	48	0.0	-66.60	361.13	5.95	-60.65
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCCC(=O)[O-]	REAL300013852289	1	48	0.0	-66.82	361.39	5.94	-60.88
CC1=CC(CNC(=O)NCCCC(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013852310	1	47	0.0	-61.96	376.64	5.08	-56.88
CSC1(CNC(=O)NCCCC(=O)[O-])CC[NH+](C)CC1	REAL300013852311	0	45	0.0	-71.87	348.03	5.47	-66.40
CC1CCN(C(=O)NCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013852326	0	51	0.0	-67.81	379.51	9.89	-57.92
CC1CCN(C(=O)NCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013852326	1	51	0.0	-69.92	371.20	9.50	-60.42
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCCCC(=O)[O-]	REAL300013852330	0	54	0.0	-71.80	414.64	10.67	-61.13
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCCCC(=O)[O-]	REAL300013852330	1	54	0.0	-73.35	415.25	10.60	-62.75
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013852353	0	50	0.0	-74.22	385.61	6.47	-67.75
CC1CC(CNC(=O)NCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013852357	0	51	0.0	-71.49	398.44	8.04	-63.45
CC1CC(CNC(=O)NCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013852357	1	51	0.0	-71.50	398.44	8.04	-63.46
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCCCC(=O)[O-]	REAL300013852382	0	48	0.0	-71.89	379.00	7.54	-64.35
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCCCC(=O)[O-]	REAL300013852382	1	48	0.0	-71.21	376.06	7.93	-63.28
O=C([O-])CCCNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013852407	0	48	0.0	-73.31	380.24	7.47	-65.84
O=C([O-])CCCNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013852407	1	48	0.0	-73.33	380.61	7.47	-65.86
O=C([O-])CCCNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300013852419	0	49	0.0	-77.14	376.47	8.85	-68.29
O=C([O-])CCCNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300013852419	1	49	0.0	-77.33	379.07	9.01	-68.32
O=C([O-])CCCNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013852422	0	54	0.0	-72.37	405.29	8.96	-63.41
O=C([O-])CCCNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013852422	1	54	0.0	-72.29	404.75	9.00	-63.29
CC1CCCC[N@@H+]1CC1CCCN(C(=O)NCCCC(=O)[O-])C1	REAL300013852453	0	54	0.0	-67.40	388.55	9.20	-58.20
CC1CCCC[N@H+]1CC1CCCN(C(=O)NCCCC(=O)[O-])C1	REAL300013852453	1	54	0.0	-68.37	381.88	8.88	-59.49
O=C([O-])CCCNC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300013852471	0	48	0.0	-80.80	398.12	7.96	-72.84
O=C([O-])CCCNC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300013852471	1	48	0.0	-80.59	397.38	7.88	-72.71
O=C([O-])CCCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1	REAL300013852475	0	52	0.0	-70.78	389.53	7.73	-63.05
CC(C)OCC[NH+]1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013852485	1	48	0.0	-68.90	366.13	6.27	-62.63
CN(C(=O)NCCCC(=O)[O-])C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013852486	0	51	0.0	-74.38	378.04	10.03	-64.35
CN(C(=O)NCCCC(=O)[O-])C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013852486	1	51	0.0	-69.90	388.55	9.61	-60.29
CC(CCNC(=O)NCCCC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300013852494	0	50	0.0	-70.10	383.80	7.46	-62.64
CC(CCNC(=O)NCCCC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300013852494	1	50	0.0	-72.63	387.39	7.48	-65.15
C[NH+](C)C(CNC(=O)NCCCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013852499	0	44	0.0	-72.67	360.56	7.77	-64.90
CC[NH+](CC)CCOC1CCN(C(=O)NCCCC(=O)[O-])C1	REAL300013852503	0	51	0.0	-69.77	388.57	6.75	-63.02
O=C([O-])CCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1	REAL300013852508	0	54	0.0	-71.87	399.28	9.39	-62.48
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCCC(=O)[O-]	REAL300013852512	1	51	0.0	-70.91	362.39	5.95	-64.96
O=C([O-])CCCNC(=O)N1CC[NH+](C2C3=CC=CC=C3C3=CC=CC=C32)CC1	REAL300013852516	1	53	0.0	-71.72	406.12	11.11	-60.61
CC1CC[NH+](C2CCC(NC(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013852528	0	54	0.0	-70.57	395.76	7.64	-62.93
CC1CC(CCNC(=O)NCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013852536	0	54	0.0	-71.39	419.31	8.72	-62.67
CC1CC(CCNC(=O)NCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013852536	1	54	0.0	-71.99	420.21	8.71	-63.28
C[NH+](C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013852537	0	54	0.0	-81.16	426.65	5.24	-75.92
C[NH+](C)C(CNC(=O)NCCCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013852573	0	47	0.0	-76.75	386.32	7.34	-69.41
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013852574	0	53	0.0	-72.43	403.25	8.88	-63.55
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013852574	1	53	0.0	-74.28	402.04	8.39	-65.89
O=C([O-])CCCNC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300013852625	0	48	0.0	-67.85	371.73	7.04	-60.81
O=C([O-])CCCNC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300013852625	1	48	0.0	-68.07	371.90	7.06	-61.01
O=C([O-])CCCNC(=O)NC(C[NH+]1CCCCC1)C1=CC=CC=C1	REAL300013852632	0	51	0.0	-69.60	394.85	9.06	-60.54
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCCCC(=O)[O-])=C1	REAL300013852639	0	50	0.0	-72.54	389.90	9.60	-62.94
C[NH+](C)CCOC1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013852640	0	48	0.0	-70.14	365.97	6.33	-63.81
CN1CCC([N@@H+]2CCC(NC(=O)NCCCC(=O)[O-])C2)CC1	REAL300013852641	0	50	0.0	-70.81	376.38	3.87	-66.94
CN1CCC([N@H+]2CCC(NC(=O)NCCCC(=O)[O-])C2)CC1	REAL300013852641	1	50	0.0	-70.80	376.38	3.87	-66.93
C[NH+]1CCC(N2CCC(NC(=O)NCCCC(=O)[O-])C2)CC1	REAL300013852641	1	50	0.0	-71.18	369.56	3.56	-67.62
O=C([O-])CCCNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO	REAL300013852651	0	52	0.0	-70.17	394.76	4.50	-65.67
O=C([O-])CCCNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1CO	REAL300013852651	1	52	0.0	-70.62	401.41	5.45	-65.17
O=C([O-])CCCNC(=O)N1CCC2(C1)CCC[N@H+](CC1=CC=CC=C1)C2	REAL300013852653	0	55	0.0	-75.59	411.43	10.18	-65.41
O=C([O-])CCCNC(=O)N1CCC2(C1)CCC[N@@H+](CC1=CC=CC=C1)C2	REAL300013852653	1	55	0.0	-68.62	413.31	10.42	-58.20
O=C([O-])CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1	REAL300013852656	0	51	0.0	-69.07	374.92	7.04	-62.03
CC(C)OCC[NH+]1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013852662	0	51	0.0	-68.91	391.37	5.55	-63.36
O=C([O-])CCCNC(=O)NCCCCCCC[NH+]1CCCC1	REAL300013852670	0	53	0.0	-70.53	409.31	7.82	-62.71
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)NCCCC(=O)[O-]	REAL300013852687	0	50	0.0	-74.23	376.49	8.52	-65.71
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)NCCCC(=O)[O-]	REAL300013852687	1	50	0.0	-72.74	376.81	8.46	-64.28
CN(C(=O)NCCCC(=O)[O-])C1CCCCC1[N@H+](C)C1CCN(C)CC1	REAL300013852690	0	62	0.0	-62.24	419.65	6.95	-55.29
CN(C(=O)NCCCC(=O)[O-])C1CCCCC1[N@@H+](C)C1CCN(C)CC1	REAL300013852690	1	62	0.0	-60.87	412.93	7.20	-53.67
O=C([O-])CCCNC(=O)N1CCN(C2=CC=[NH+]C=C2Cl)CC1	REAL300013852691	1	41	0.0	-72.06	342.32	5.47	-66.59
CC(CC[NH+]1CCN(C)CC1)NC(=O)NCCCC(=O)[O-]	REAL300013852724	0	49	0.0	-70.77	374.71	3.81	-66.96
CC(CCN1CC[NH+](C)CC1)NC(=O)NCCCC(=O)[O-]	REAL300013852724	1	49	0.0	-70.67	375.61	3.96	-66.71
CN1CC[NH+](CCC(C)(C)NC(=O)NCCCC(=O)[O-])CC1	REAL300013852726	0	52	0.0	-74.00	381.50	3.73	-70.27
C[NH+]1CCN(CCC(C)(C)NC(=O)NCCCC(=O)[O-])CC1	REAL300013852726	1	52	0.0	-72.44	382.39	3.88	-68.56
CCN(C(=O)NCCCC(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013852729	0	51	0.0	-62.96	391.30	9.94	-53.02
CCN(C(=O)NCCCC(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013852729	1	51	0.0	-62.97	390.79	9.72	-53.25
CN(C(=O)NCCCC(=O)[O-])C1CC[N@@H+](C2CCN(C)CC2)C1	REAL300013852730	0	53	0.0	-70.27	389.22	5.85	-64.42
CN(C(=O)NCCCC(=O)[O-])C1CC[N@H+](C2CCN(C)CC2)C1	REAL300013852730	1	53	0.0	-69.87	387.21	6.08	-63.79
CN(C(=O)NCCCC(=O)[O-])C1CCN(C2CC[NH+](C)CC2)C1	REAL300013852730	1	53	0.0	-72.87	388.89	5.78	-67.09
O=C([O-])CCCNC(=O)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300013852772	0	55	0.0	-74.59	411.98	10.06	-64.53
CCC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+](CC)CC)C=C1	REAL300013852775	0	56	0.0	-64.70	421.23	8.74	-55.96
O=C([O-])CCCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1	REAL300013852776	0	51	0.0	-76.31	386.75	3.34	-72.97
O=C([O-])CCCNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C2CCCCC21	REAL300013852780	0	55	0.0	-69.21	391.74	9.75	-59.46
O=C([O-])CCCNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C2CCCCC21	REAL300013852780	1	55	0.0	-69.36	391.66	9.76	-59.60
C[N@@H+]1CCCC(N2CCN(C(=O)NCCCC(=O)[O-])CC2)C1	REAL300013852798	0	50	0.0	-72.03	366.08	5.39	-66.64
C[N@H+]1CCCC(N2CCN(C(=O)NCCCC(=O)[O-])CC2)C1	REAL300013852798	1	50	0.0	-72.84	358.45	4.95	-67.89
CC1CCC([NH+]2CCN(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013852809	0	51	0.0	-69.51	370.51	8.34	-61.17
CCOCCC[N@@H+]1CCC(NC(=O)NCCCC(=O)[O-])C(C)C1	REAL300013852811	0	54	0.0	-73.76	408.67	6.65	-67.11
CCOCCC[N@H+]1CCC(NC(=O)NCCCC(=O)[O-])C(C)C1	REAL300013852811	1	54	0.0	-72.14	404.25	6.13	-66.01
O=C([O-])CCCNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300013852812	0	51	0.0	-75.16	388.24	2.46	-72.70
O=C([O-])CCCNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300013852812	1	51	0.0	-75.06	388.33	2.49	-72.57
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013852814	0	51	0.0	-69.15	390.46	8.24	-60.91
O=C([O-])CCCNC(=O)NCCC[NH+](CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300013852824	0	57	0.0	-75.84	445.34	10.50	-65.34
O=C([O-])CCCNC(=O)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300013852831	0	49	0.0	-68.96	353.74	8.23	-60.73
O=C([O-])CCCNC(=O)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013852835	0	58	0.0	-75.04	452.46	8.32	-66.72
C[N@H+](CCNC(=O)NCCCC(=O)[O-])CC1=CC=C(F)C=C1	REAL300013852840	0	44	0.0	-78.68	358.92	6.40	-72.28
C[N@@H+](CCNC(=O)NCCCC(=O)[O-])CC1=CC=C(F)C=C1	REAL300013852840	1	44	0.0	-78.63	358.96	6.39	-72.24
C[NH+](C)CCCOC1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013852841	0	51	0.0	-73.46	388.54	6.96	-66.50
CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCCCC(=O)[O-]	REAL300013852892	0	53	0.0	-74.04	375.80	6.57	-67.47
O=C([O-])CCCNC(=O)NCC1CCC[N@@H+]1C1CCCCC1	REAL300013852902	0	51	0.0	-67.70	367.15	6.36	-61.34
O=C([O-])CCCNC(=O)NCC1CCC[N@H+]1C1CCCCC1	REAL300013852902	1	51	0.0	-67.99	363.97	7.59	-60.40
CC1(CNC(=O)NCCCC(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300013852906	0	51	0.0	-72.84	397.42	8.15	-64.69
CC1(CNC(=O)NCCCC(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013852906	1	51	0.0	-72.84	396.93	8.13	-64.71
CC(C)C1=CC=C(C[NH+]2CCN(C(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013852921	1	54	0.0	-72.17	410.44	10.23	-61.94
O=C([O-])CCCNC(=O)NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL300013852934	0	49	0.0	-75.24	386.85	4.37	-70.87
O=C([O-])CCCNC(=O)NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1	REAL300013852934	1	49	0.0	-75.79	386.99	4.35	-71.44
COCC[NH+]1C2CCC1CC(N(C)C(=O)NCCCC(=O)[O-])C2	REAL300013852939	0	52	0.0	-61.26	355.21	4.86	-56.40
CC(C)[N@@H+]1CCOC(CN2CCN(C(=O)NCCCC(=O)[O-])CC2)C1	REAL300013852970	0	57	0.0	-71.74	418.29	5.34	-66.40
CC(C)[N@H+]1CCOC(CN2CCN(C(=O)NCCCC(=O)[O-])CC2)C1	REAL300013852970	1	57	0.0	-71.84	411.57	5.30	-66.54
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCC(=O)[O-]	REAL300013852973	0	51	0.0	-73.44	390.49	8.78	-64.66
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCCC(=O)[O-]	REAL300013852973	1	51	0.0	-72.39	385.69	8.49	-63.90
C[N@H+](CCN(CC1=CC=CC=C1)C(=O)NCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013852975	0	57	0.0	-71.93	442.27	12.61	-59.32
C[N@@H+](CCN(CC1=CC=CC=C1)C(=O)NCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013852975	1	57	0.0	-72.91	442.28	12.61	-60.30
C[NH+]1CCC(N(CC2=CC=CC=C2)C(=O)NCCCC(=O)[O-])CC1	REAL300013852976	0	51	0.0	-69.35	386.93	10.18	-59.17
O=C([O-])CCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300013852980	0	52	0.0	-68.63	399.52	5.71	-62.92
CC1=CC(N2CCC(NC(=O)NCCCC(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013852994	1	49	0.0	-65.89	387.68	5.24	-60.65
CC(C)[NH+]1CCN(C2CCN(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013853014	0	56	0.0	-68.34	394.03	6.12	-62.22
CC(C)N1CC[NH+](C2CCN(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013853014	1	56	0.0	-70.79	397.75	6.33	-64.46
O=C([O-])CCCNC(=O)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300013853025	0	55	0.0	-76.05	410.07	10.31	-65.74
O=C([O-])CCCNC(=O)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300013853025	1	55	0.0	-76.24	410.19	10.30	-65.94
C[N@@H+]1CCC(CNC(=O)NCCCC(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013853032	0	48	0.0	-76.99	401.44	8.11	-68.88
C[N@H+]1CCC(CNC(=O)NCCCC(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013853032	1	48	0.0	-76.02	400.54	8.17	-67.85
C[NH+](C)CCOC1=CC(CNC(=O)NCCCC(=O)[O-])=CC=N1	REAL300013853033	0	47	0.0	-69.24	383.64	3.55	-65.69
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)NCCCC(=O)[O-])C1CC1	REAL300013853044	0	51	0.0	-70.91	388.25	9.37	-61.54
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)NCCCC(=O)[O-])C1CC1	REAL300013853044	1	51	0.0	-69.69	396.89	8.73	-60.96
O=C([O-])CCCNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1	REAL300013853088	0	54	0.0	-71.46	386.44	7.12	-64.34
C[N@@H+]1CCN(CCNC(=O)NCCCC(=O)[O-])CC1(C)C	REAL300013853089	0	49	0.0	-66.28	358.74	3.04	-63.24
C[N@H+]1CCN(CCNC(=O)NCCCC(=O)[O-])CC1(C)C	REAL300013853089	1	49	0.0	-67.76	361.25	3.21	-64.55
CSC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013853102	0	48	0.0	-73.03	387.20	7.37	-65.66
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCCCC(=O)[O-]	REAL300013853122	1	52	0.0	-72.74	402.72	6.17	-66.57
CC1CC(NC(=O)NCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013853149	0	51	0.0	-69.97	392.21	8.06	-61.91
CC1CC(NC(=O)NCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013853149	1	51	0.0	-69.85	388.18	8.41	-61.44
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)NCCCC(=O)[O-]	REAL300013853151	0	62	0.0	-68.49	444.82	7.89	-60.60
O=C([O-])CCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1	REAL300013853163	0	51	0.0	-69.83	374.90	7.03	-62.80
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCCCC(=O)[O-])CC1	REAL300013853164	0	57	0.0	-76.89	429.56	5.22	-71.67
CC(C)CC[NH+]1CCC(CNC(=O)NCCCC(=O)[O-])CC1	REAL300013853167	0	53	0.0	-72.65	396.63	7.36	-65.29
CC1CN(C(=O)NCCCC(=O)[O-])CCC1[NH+]1CCN(C)CC1	REAL300013853182	0	53	0.0	-70.93	378.94	6.09	-64.84
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1	REAL300013853185	0	51	0.0	-70.99	380.61	7.31	-63.68
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)NCCCC(=O)[O-]	REAL300013853199	0	51	0.0	-68.22	381.56	9.34	-58.88
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)NCCCC(=O)[O-]	REAL300013853199	1	51	0.0	-70.38	378.94	9.69	-60.69
CCCC1CN(C(=O)NCCCC(=O)[O-])CC[N@@H+]1CCOC	REAL300013853202	0	51	0.0	-66.94	380.11	6.38	-60.56
CCCC1CN(C(=O)NCCCC(=O)[O-])CC[N@H+]1CCOC	REAL300013853202	1	51	0.0	-68.94	375.48	6.61	-62.33
COCC[N@H+](C)CCCC1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013853203	0	57	0.0	-72.15	423.67	8.07	-64.08
COCC[N@@H+](C)CCCC1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013853203	1	57	0.0	-72.89	423.67	8.07	-64.82
O=C([O-])CCCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300013853228	0	49	0.0	-69.08	363.42	6.31	-62.77
CC(C)C[N@@H+]1CCOC(CNC(=O)NCCCC(=O)[O-])C1	REAL300013853256	0	48	0.0	-72.01	368.82	4.45	-67.56
CC(C)C[N@H+]1CCOC(CNC(=O)NCCCC(=O)[O-])C1	REAL300013853256	1	48	0.0	-71.94	368.53	4.51	-67.43
O=C([O-])CCCNC(=O)N1CC[NH+](CC2=CC=CC3=CC=CC=C32)CC1	REAL300013853268	0	51	0.0	-73.93	392.33	10.51	-63.42
C[N@@H+]1CCN(C(=O)NCCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013853273	1	45	0.0	-74.77	337.20	7.48	-67.29
C[N@H+]1CCN(C(=O)NCCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013853273	1	45	0.0	-74.39	344.59	7.87	-66.52
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)NCCCC(=O)[O-]	REAL300013853279	0	47	0.0	-72.33	368.53	8.94	-63.39
O=C([O-])CCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1	REAL300013853299	0	49	0.0	-67.20	363.00	6.52	-60.68
C[N@H+](CCCNC(=O)NCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013853328	0	47	0.0	-74.25	374.01	7.11	-67.14
C[N@@H+](CCCNC(=O)NCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013853328	1	47	0.0	-74.30	373.97	7.12	-67.18
COC1=CC=C(N2CC[NH+](CCCNC(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013853329	0	57	0.0	-78.68	437.31	5.61	-73.07
CC[NH+](CC)CC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013853339	0	50	0.0	-71.73	386.07	7.39	-64.34
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300013853340	0	48	0.0	-78.27	391.94	8.04	-70.23
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013853346	0	50	0.0	-62.51	381.09	7.65	-54.86
O=C([O-])CCCNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300013853347	0	51	0.0	-72.74	397.44	8.17	-64.57
O=C([O-])CCCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300013853383	0	48	0.0	-63.37	375.19	7.72	-55.65
CC[NH+](CC)C(CNC(=O)NCCCC(=O)[O-])C1=CC=CC(OC)=C1	REAL300013853423	0	54	0.0	-65.81	406.82	6.27	-59.54
O=C([O-])CCCNC(=O)N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300013853427	1	48	0.0	-75.16	372.78	9.17	-65.99
O=C([O-])CCCNC(=O)N1CCC[N@H+](CC2=CC=CC=C2)CC1	REAL300013853433	0	48	0.0	-70.37	364.51	9.55	-60.82
O=C([O-])CCCNC(=O)N1CCC[N@@H+](CC2=CC=CC=C2)CC1	REAL300013853433	1	48	0.0	-70.60	364.31	9.57	-61.03
N#CC1=CC=C(C[N@H+]2CCCN(C(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013853434	0	49	0.0	-82.69	385.41	9.91	-72.78
N#CC1=CC=C(C[N@@H+]2CCCN(C(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013853434	1	49	0.0	-82.30	385.10	9.98	-72.32
O=C([O-])CCCNC(=O)N1CCC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300013853435	0	51	0.0	-78.33	403.29	10.54	-67.79
O=C([O-])CCCNC(=O)N1CCC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300013853435	1	51	0.0	-78.14	402.99	10.58	-67.56
CC1=CC=C(C[N@@H+]2CCCN(C(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013853436	0	51	0.0	-70.56	385.65	10.25	-60.31
CC1=CC=C(C[N@H+]2CCCN(C(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013853436	1	51	0.0	-70.67	385.96	10.21	-60.46
O=C([O-])CCCNC(=O)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300013853449	1	48	0.0	-76.29	370.74	9.61	-66.68
O=C([O-])CCCNC(=O)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300013853449	1	48	0.0	-76.01	370.68	9.65	-66.36
COC1=CC=C(C[N@@H+]2CCCN(C(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013853450	0	52	0.0	-72.93	393.76	8.88	-64.05
COC1=CC=C(C[N@H+]2CCCN(C(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013853450	1	52	0.0	-74.39	394.07	8.83	-65.56
O=C([O-])CCCNC(=O)N1CCC[N@H+](CC2=CC=C(Cl)C=C2)CC1	REAL300013853451	1	48	0.0	-75.21	381.06	10.06	-65.15
O=C([O-])CCCNC(=O)N1CCC[N@@H+](CC2=CC=C(Cl)C=C2)CC1	REAL300013853451	1	48	0.0	-74.99	381.00	10.10	-64.89
O=C([O-])CCCNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1	REAL300013853461	1	45	0.0	-66.69	360.37	2.97	-63.72
CC1C[NH+](C(C)(C)CNC(=O)NCCCC(=O)[O-])CC(C)O1	REAL300013853462	1	51	0.0	-65.30	368.61	4.78	-60.52
C[NH+]1CCN(C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=N2)CC1	REAL300013853490	0	49	0.0	-74.08	387.71	4.93	-69.15
CC1C[NH+](CCCNC(=O)NCCCC(=O)[O-])CC(C)O1	REAL300013853497	0	48	0.0	-74.14	372.13	4.44	-69.70
CC(C)C(CNC(=O)NCCCC(=O)[O-])[NH+]1CCOCC1	REAL300013853501	1	48	0.0	-69.33	350.75	4.73	-64.60
O=C([O-])CCCNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300013853502	1	47	0.0	-65.86	369.37	5.43	-60.43
O=C([O-])CCCNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300013853503	1	44	0.0	-66.38	354.28	4.52	-61.86
CCC(CC)C(CNC(=O)NCCCC(=O)[O-])[NH+]1CCOCC1	REAL300013853506	0	54	0.0	-66.70	381.07	5.45	-61.25
CC(C)C(CNC(=O)NCCCC(=O)[O-])[NH+]1CCN(C)CC1	REAL300013853507	0	52	0.0	-65.85	378.15	4.73	-61.12
CC(C)C(CNC(=O)NCCCC(=O)[O-])N1CC[NH+](C)CC1	REAL300013853507	1	52	0.0	-65.47	376.34	5.05	-60.42
CC[NH+](CC)C(CNC(=O)NCCCC(=O)[O-])CC(C)C	REAL300013853508	0	52	0.0	-65.60	373.61	7.24	-58.36
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)NCCCC(=O)[O-])CC1	REAL300013853510	0	48	0.0	-67.44	370.10	8.19	-59.25
O=C([O-])CCCNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300013853512	0	48	0.0	-67.71	374.48	7.55	-60.16
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013853518	0	54	0.0	-65.98	431.00	9.79	-56.19
O=C([O-])CCCNC(=O)NCC1=CC=CC=C1C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300013853519	0	58	0.0	-64.13	455.81	10.94	-53.19
O=C([O-])CCCNC(=O)N1CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC1	REAL300013853524	1	47	0.0	-68.34	381.17	7.25	-61.09
O=C([O-])CCCNC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300013853526	1	51	0.0	-77.48	401.84	5.92	-71.56
O=C([O-])CCCNC(=O)N1CC[NH+](C(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300013853541	1	55	0.0	-68.26	421.44	11.94	-56.32
O=C([O-])CCCNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013853542	1	45	0.0	-72.20	350.19	8.30	-63.90
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013853563	1	54	0.0	-70.75	402.27	8.17	-62.58
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013853563	1	54	0.0	-69.06	403.29	8.14	-60.92
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013853564	0	51	0.0	-69.83	380.70	10.21	-59.62
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013853564	1	51	0.0	-69.90	380.94	10.16	-59.74
O=C([O-])CCCNC(=O)NC1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300013853573	0	51	0.0	-74.72	397.60	8.41	-66.31
C[NH+](C)CCN1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013853574	0	49	0.0	-72.06	371.08	3.53	-68.53
CN(C)CC[NH+]1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013853574	1	49	0.0	-71.18	371.64	3.42	-67.76
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300013853575	0	47	0.0	-70.31	371.12	5.75	-64.56
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013853576	0	51	0.0	-73.08	391.55	8.22	-64.86
CC1CC[NH+](CC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013853577	0	54	0.0	-73.59	418.63	8.84	-64.75
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013853578	0	54	0.0	-70.46	414.41	8.70	-61.76
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013853578	1	54	0.0	-70.32	414.41	8.71	-61.61
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013853579	0	54	0.0	-61.58	401.39	8.64	-52.94
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013853579	1	54	0.0	-60.92	404.53	9.52	-51.40
CC1C[NH+](CC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)CC(C)O1	REAL300013853580	0	55	0.0	-75.58	431.06	7.25	-68.33
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)C1	REAL300013853581	0	54	0.0	-72.91	418.64	8.82	-64.09
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)C1	REAL300013853581	1	54	0.0	-72.88	418.59	8.81	-64.07
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])C1	REAL300013853582	0	54	0.0	-63.56	412.27	9.05	-54.51
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])C1	REAL300013853582	1	54	0.0	-62.41	409.53	9.73	-52.68
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013853583	0	50	0.0	-63.70	384.28	7.76	-55.94
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013853583	1	50	0.0	-61.73	379.93	8.26	-53.47
C[NH+](C)CCOC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013853584	0	48	0.0	-72.80	386.05	6.14	-66.66
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013853585	0	48	0.0	-72.10	386.05	6.14	-65.96
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013853591	1	52	0.0	-82.27	411.68	6.21	-76.06
CC1CCN(C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=[NH+]2)CC1	REAL300013853594	1	50	0.0	-64.55	390.14	6.01	-58.54
O=C([O-])CCCNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300013853595	1	44	0.0	-63.66	350.26	4.52	-59.14
O=C([O-])CCCNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1	REAL300013853596	1	45	0.0	-68.04	360.42	2.99	-65.05
O=C([O-])CCCNC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013853597	0	48	0.0	-71.67	375.54	7.58	-64.09
O=C([O-])CCCNC(=O)NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013853601	0	54	0.0	-78.31	421.26	5.21	-73.10
CCN(CC)C1=CC=C(CNC(=O)NCCCC(=O)[O-])C=[NH+]1	REAL300013853616	1	46	0.0	-62.86	371.30	6.51	-56.35
C[NH+]1CCN(C2=CC(CNC(=O)NCCCC(=O)[O-])=CC=N2)CC1	REAL300013853617	0	49	0.0	-72.15	387.76	4.93	-67.22
O=C([O-])CCCNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300013853618	1	50	0.0	-63.72	380.70	5.75	-57.97
CC1CN(C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=[NH+]2)CCO1	REAL300013853619	1	48	0.0	-66.93	381.32	3.50	-63.43
O=C([O-])CCCNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300013853620	1	47	0.0	-64.16	369.05	5.24	-58.92
O=C([O-])CCCNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1	REAL300013853640	1	45	0.0	-70.18	363.06	3.27	-66.91
O=C([O-])CCCNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300013853641	0	48	0.0	-70.96	382.72	7.55	-63.41
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCCCC(=O)[O-])=C1	REAL300013853642	0	50	0.0	-70.19	392.36	7.72	-62.47
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)NCCCC(=O)[O-]	REAL300013853653	0	50	0.0	-72.69	392.67	9.80	-62.89
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013853654	0	48	0.0	-78.91	395.02	9.55	-69.36
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1	REAL300013853686	0	54	0.0	-71.36	421.26	7.48	-63.88
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCCCC(=O)[O-]	REAL300013853687	0	54	0.0	-65.95	420.24	7.53	-58.42
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=N2)CC1	REAL300013853689	0	52	0.0	-72.77	405.45	5.60	-67.17
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013853690	0	56	0.0	-71.61	432.03	6.43	-65.18
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013853690	1	56	0.0	-74.02	432.40	6.45	-67.57
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])CC1	REAL300013853691	0	56	0.0	-60.74	427.76	7.49	-53.25
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])CC1	REAL300013853691	1	56	0.0	-62.03	423.28	7.35	-54.68
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)C1	REAL300013853693	0	57	0.0	-73.30	439.42	9.40	-63.90
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NCCCC(=O)[O-])C1	REAL300013853694	0	57	0.0	-62.44	430.35	10.33	-52.11
O=C([O-])CCCNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1	REAL300013853699	1	51	0.0	-68.04	407.64	7.53	-60.51
O=C([O-])CCCNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300013853701	0	48	0.0	-68.64	387.45	8.73	-59.91
C[NH+]1CCN(C(=O)CCNC(=O)NCCCC(=O)[O-])CC1	REAL300013853702	1	45	0.0	-85.38	355.59	3.59	-81.79
CC[NH+](CC)C(CNC(=O)NCCCC(=O)[O-])C1=CSC=C1	REAL300013853706	0	47	0.0	-64.63	363.05	7.37	-57.26
CC(C)C(CNC(=O)NCCCC(=O)[O-])[NH+]1CCC(C)CC1	REAL300013853707	0	53	0.0	-66.53	382.25	7.77	-58.76
CC[NH+](CC)C(CNC(=O)NCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013853708	0	53	0.0	-64.98	394.44	7.92	-57.06
O=C([O-])CCCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1	REAL300013853709	0	58	0.0	-80.40	439.37	7.15	-73.25
O=C([O-])CCCNC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300013853710	0	45	0.0	-73.91	355.68	6.75	-67.16
O=C([O-])CCCNC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300013853710	1	45	0.0	-73.89	355.68	6.75	-67.14
CCC(CNC(=O)NCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013853711	0	51	0.0	-69.16	380.82	8.77	-60.39
CCC(CNC(=O)NCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013853711	1	51	0.0	-69.31	381.43	8.75	-60.56
O=C([O-])CCCNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300013853713	0	48	0.0	-75.50	377.19	7.54	-67.96
O=C([O-])CCCNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300013853713	1	48	0.0	-75.51	377.18	7.54	-67.97
O=C([O-])CCCNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013853716	0	48	0.0	-69.38	373.44	8.87	-60.51
CN1CC[N@H+](CCCNC(=O)NCCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013853745	0	56	0.0	-72.51	418.48	5.75	-66.76
CN1CC[N@@H+](CCCNC(=O)NCCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013853745	1	56	0.0	-71.06	429.48	6.36	-64.70
C[N@@H+]1CCN(CCCNC(=O)NCCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013853745	1	56	0.0	-76.33	423.46	6.27	-70.06
C[N@H+]1CCN(CCCNC(=O)NCCCC(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013853745	1	56	0.0	-76.26	424.48	6.43	-69.83
O=C([O-])CCCNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013853746	0	53	0.0	-76.36	407.79	6.32	-70.04
O=C([O-])CCCNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013853747	0	56	0.0	-73.77	432.11	6.48	-67.29
O=C([O-])CCCNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300013853747	1	56	0.0	-74.25	432.13	6.53	-67.72
O=C([O-])CCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1	REAL300013853748	0	49	0.0	-75.59	363.11	6.30	-69.29
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013853756	0	60	0.0	-80.13	448.49	7.34	-72.79
CCN1CC[NH+](CCCCNC(=O)NCCCC(=O)[O-])CC1	REAL300013853804	0	52	0.0	-72.02	395.09	4.40	-67.62
CC[NH+]1CCN(CCCCNC(=O)NCCCC(=O)[O-])CC1	REAL300013853804	1	52	0.0	-70.30	394.59	4.38	-65.92
CC1CC(C)C[NH+](CCCCNC(=O)NCCCC(=O)[O-])C1	REAL300013853806	0	53	0.0	-71.43	402.15	7.36	-64.07
O=C([O-])CCCNC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300013853809	1	52	0.0	-70.06	416.86	9.44	-60.62
O=C([O-])CCCNC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300013853809	1	52	0.0	-69.61	414.69	10.35	-59.26
CC(CNC(=O)NCCCC(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013853820	1	53	0.0	-71.51	396.51	6.13	-65.38
O=C([O-])CCCNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300013853821	1	50	0.0	-77.73	392.71	5.59	-72.14
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCCCC(=O)[O-])CC2)=C1	REAL300013853823	0	56	0.0	-76.50	429.19	6.99	-69.51
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NCCCC(=O)[O-])CC2)=C1	REAL300013853824	0	59	0.0	-76.69	450.69	7.75	-68.94
CCCNC(=O)C[NH+]1CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013853826	1	51	0.0	-73.79	397.36	3.99	-69.80
C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013853828	1	52	0.0	-85.65	387.57	6.62	-79.03
C=CC[NH+](CC=C)C(CNC(=O)NCCCC(=O)[O-])C(C)C	REAL300013853837	0	51	0.0	-62.23	374.46	7.75	-54.48
COC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013853839	0	52	0.0	-70.68	402.40	6.76	-63.92
O=C([O-])CCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300013853840	0	54	0.0	-65.70	373.24	8.04	-57.66
COC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013853841	0	48	0.0	-72.65	376.50	5.65	-67.00
O=C([O-])CCCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013853856	0	48	0.0	-66.09	367.94	6.42	-59.67
O=C([O-])CCCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013853859	0	52	0.0	-66.67	367.70	4.88	-61.79
COC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300013853860	0	55	0.0	-68.52	411.23	7.15	-61.37
COC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+](C)C)C=C1OC	REAL300013853871	0	52	0.0	-75.43	402.58	6.47	-68.96
O=C([O-])CCCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300013853899	0	45	0.0	-66.76	350.60	5.64	-61.12
COC1=CC=CC=C1C(CNC(=O)NCCCC(=O)[O-])[NH+]1CCCC1	REAL300013853911	0	52	0.0	-64.71	396.10	7.54	-57.17
CC1CC[NH+](C(CNC(=O)NCCCC(=O)[O-])C2=CC=CS2)CC1	REAL300013853912	0	51	0.0	-65.54	401.87	7.94	-57.60
CC[NH+](CC)C(CNC(=O)NCCCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013853914	0	50	0.0	-68.90	380.84	7.87	-61.03
C[NH+](C)C(CNC(=O)NCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013853915	0	47	0.0	-67.88	359.81	7.74	-60.14
C[NH+](C)C(CNC(=O)NCCCC(=O)[O-])C1=CC=CC(F)=C1	REAL300013853918	0	44	0.0	-74.87	353.88	6.43	-68.44
CCC1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013853919	0	50	0.0	-70.19	389.90	7.79	-62.40
O=C([O-])CCCNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013853922	0	53	0.0	-73.25	411.01	5.76	-67.49
C[NH+]1CCN(C(CNC(=O)NCCCC(=O)[O-])C2=CC=CS2)CC1	REAL300013853923	1	50	0.0	-68.91	393.17	4.82	-64.09
CC[NH+](CC)C(CNC(=O)NCCCC(=O)[O-])C1=CC=CC=C1	REAL300013853924	0	50	0.0	-65.20	373.18	7.45	-57.75
O=C([O-])CCCNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013853925	0	45	0.0	-66.37	356.67	6.17	-60.20
O=C([O-])CCCNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013853952	0	45	0.0	-73.24	359.09	6.96	-66.28
O=C([O-])CCCNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013853952	1	45	0.0	-73.24	359.42	6.97	-66.27
COC1=CC=CC(C(CNC(=O)NCCCC(=O)[O-])[NH+]2CCCC2)=C1	REAL300013853962	0	52	0.0	-66.28	393.40	6.43	-59.85
O=C([O-])CCCNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1	REAL300013853963	0	48	0.0	-65.05	382.64	8.29	-56.76
C[NH+](C)C(CNC(=O)NCCCC(=O)[O-])C1=CC=CC=C1Cl	REAL300013853964	1	44	0.0	-68.77	355.57	7.07	-61.70
CC1=CC=CC(C[NH+]2CCN(C(=O)NCCCC(=O)[O-])CC2)=C1	REAL300013853965	1	48	0.0	-72.28	371.64	8.97	-63.31
CC1=CC=CC=C1C[NH+]1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013853971	1	48	0.0	-71.27	366.32	8.95	-62.32
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)NCCCC(=O)[O-]	REAL300013854038	0	50	0.0	-66.86	398.65	9.66	-57.20
CC[NH+](CC)CCN(CC(C)C)C(=O)NCCCC(=O)[O-]	REAL300013854053	0	52	0.0	-65.87	381.11	8.75	-57.12
COCC(C)(C)[NH+]1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013854072	0	48	0.0	-68.21	352.25	5.30	-62.91
O=C([O-])CCCNC(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300013854087	0	49	0.0	-72.51	378.60	8.96	-63.55
O=C([O-])CCCNC(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300013854087	1	49	0.0	-71.09	372.55	8.59	-62.50
CC1CN(C(=O)NCCCC(=O)[O-])C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300013854094	0	54	0.0	-67.12	388.31	9.77	-57.35
CC1CN(C(=O)NCCCC(=O)[O-])C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300013854094	1	54	0.0	-70.36	380.65	8.93	-61.43
CC(CNC(=O)NCCCC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013854098	1	48	0.0	-68.44	363.31	4.63	-63.81
CC(CNC(=O)NCCCC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013854098	1	48	0.0	-68.48	353.55	4.26	-64.22
CC[N@H+](CCCNC(=O)NCCCC(=O)[O-])C1CCCCC1	REAL300013854123	0	53	0.0	-70.35	386.15	6.91	-63.44
CC[N@@H+](CCCNC(=O)NCCCC(=O)[O-])C1CCCCC1	REAL300013854123	1	53	0.0	-70.36	387.08	6.94	-63.42
CCCCC[N@H+](CCNC(=O)NCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013854125	0	56	0.0	-71.21	423.49	8.71	-62.50
CCCCC[N@@H+](CCNC(=O)NCCCC(=O)[O-])CC1=CC=CC=C1	REAL300013854125	1	56	0.0	-71.15	423.55	8.71	-62.44
C[N@@H+]1CCN(C(=O)NCCCC(=O)[O-])C(CC2=CC=CC=C2)C1	REAL300013854126	1	48	0.0	-78.74	369.54	9.57	-69.17
C[N@H+]1CCN(C(=O)NCCCC(=O)[O-])C(CC2=CC=CC=C2)C1	REAL300013854126	1	48	0.0	-69.74	366.61	8.85	-60.89
N#CC1=CC=CC(C[NH+]2CCC(NC(=O)NCCCC(=O)[O-])CC2)=C1	REAL300013854137	0	49	0.0	-84.69	396.34	7.97	-76.72
O=C([O-])CCCNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013854144	1	45	0.0	-72.20	350.19	8.30	-63.90
CC[NH+](CC)CCN(CC1=CC=C(Cl)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013854170	0	53	0.0	-70.14	416.13	10.53	-59.61
CC[NH+](CC)CCCN(CC1=CC=C(Cl)C=C1)C(=O)NCCCC(=O)[O-]	REAL300013854171	0	56	0.0	-72.43	445.18	11.92	-60.51
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCCC(=O)[O-]	REAL300013854181	0	47	0.0	-70.54	366.44	5.83	-64.71
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)NCCCC(=O)[O-])C1	REAL300013854185	0	51	0.0	-75.78	397.27	9.49	-66.29
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)NCCCC(=O)[O-])C1	REAL300013854185	1	51	0.0	-75.79	397.28	9.47	-66.32
O=C([O-])CCCNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013854188	0	50	0.0	-80.22	390.04	6.44	-73.78
CC[N@@H+]1CCCC(CN(C)C(=O)NCCCC(=O)[O-])C1C1=CN(C)N=C1	REAL300013854190	0	57	0.0	-68.44	415.22	7.60	-60.84
CC[N@H+]1CCCC(CN(C)C(=O)NCCCC(=O)[O-])C1C1=CN(C)N=C1	REAL300013854190	1	57	0.0	-67.59	424.68	8.25	-59.34
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCCCC(=O)[O-]	REAL300013854192	0	54	0.0	-69.82	405.08	4.62	-65.20
O=C([O-])CCCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1	REAL300013854195	0	52	0.0	-73.92	382.04	5.09	-68.83
O=C([O-])CCCNC(=O)NCC1=CC=C[NH+]=C1N1CCCC1	REAL300013854212	1	44	0.0	-66.98	342.50	5.55	-61.43
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013854230	0	54	0.0	-72.45	403.15	10.70	-61.75
CC(C)[C@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013854230	1	54	0.0	-72.15	394.41	9.44	-62.71
O=C([O-])CCCNC(=O)NC1(C[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300013854236	0	54	0.0	-75.56	407.04	7.26	-68.30
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCCC(=O)[O-])C1	REAL300013854296	1	53	0.0	-73.36	407.59	6.17	-67.19
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCCC(=O)[O-])C1	REAL300013854296	1	53	0.0	-74.68	400.54	5.92	-68.76
C[NH+](C)CCCC1CN(C(=O)NCCCC(=O)[O-])CCO1	REAL300013854300	0	48	0.0	-69.37	367.43	6.15	-63.22
O=C([O-])CCCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013854307	1	50	0.0	-70.62	368.68	4.94	-65.68
O=C([O-])CCCNC(=O)NC1(C[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1	REAL300013854315	0	54	0.0	-79.57	413.47	7.32	-72.25
O=C([O-])CCCNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300013854330	0	55	0.0	-75.42	421.48	9.09	-66.33
O=C([O-])CCCNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300013854330	1	55	0.0	-74.46	421.36	8.96	-65.50
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCCCC(=O)[O-]	REAL300013854349	0	52	0.0	-72.08	398.05	6.85	-65.23
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCCCC(=O)[O-]	REAL300013854349	1	52	0.0	-66.16	397.44	6.68	-59.48
O=C([O-])CCCNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013854351	0	54	0.0	-72.56	415.62	8.82	-63.74
O=C([O-])CCCNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300013854355	1	45	0.0	-69.97	370.17	5.03	-64.94
CCC1([NH+]2CCOCC2)CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013854372	0	52	0.0	-69.29	360.73	6.00	-63.29
CCC1([NH+]2CCCC2)CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013854400	0	51	0.0	-66.81	354.69	7.72	-59.09
C[NH+](C)CC(NC(=O)NCCCC(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013854402	0	44	0.0	-68.19	381.51	7.55	-60.64
COCCN(CC1CC[NH+](C)CC1)C(=O)NCCCC(=O)[O-]	REAL300013854407	0	51	0.0	-74.30	384.38	7.35	-66.95
CC1([NH+]2CCOCC2)CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013854409	0	49	0.0	-70.34	346.39	5.27	-65.07
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCCC(=O)[O-]	REAL300013854419	0	51	0.0	-72.53	395.62	7.85	-64.68
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCCC(=O)[O-]	REAL300013854419	1	51	0.0	-72.63	395.48	7.87	-64.76
O=C([O-])CCCNC(=O)NC1CCCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013854428	0	54	0.0	-73.00	395.98	8.69	-64.31
O=C([O-])CCCNC(=O)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013854428	1	54	0.0	-71.57	398.02	8.71	-62.86
C[NH+]1CCC(N2C=C(NC(=O)NCCCC(=O)[O-])C=N2)CC1	REAL300013854445	0	45	0.0	-82.82	354.45	5.18	-77.64
O=C([O-])CCCNC(=O)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013854490	0	51	0.0	-68.31	388.59	8.46	-59.85
O=C([O-])CCCNC(=O)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013854490	1	51	0.0	-66.72	379.49	7.80	-58.92
O=C([O-])CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013854499	0	51	0.0	-66.79	379.50	7.80	-58.99
O=C([O-])CCCNC(=O)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013854499	1	51	0.0	-67.85	388.40	8.45	-59.40
CN1CC[NH+](C2CCN(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013854501	0	50	0.0	-70.69	366.13	5.18	-65.51
C[NH+]1CCN(C2CCN(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300013854501	1	50	0.0	-72.70	366.32	5.33	-67.37
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC(=O)NCCCC(=O)[O-])C1	REAL300013854510	1	52	0.0	-74.14	404.96	6.57	-67.57
CC1=CC=CC=C1C[N@H+]1CCOC(CNC(=O)NCCCC(=O)[O-])C1	REAL300013854510	1	52	0.0	-73.69	404.57	6.65	-67.04
CC1=CC=C(C[N@@H+]2CCC(NC(=O)NCCCC(=O)[O-])C2)C=C1	REAL300013854526	0	48	0.0	-72.95	380.05	7.56	-65.39
CC1=CC=C(C[N@H+]2CCC(NC(=O)NCCCC(=O)[O-])C2)C=C1	REAL300013854526	1	48	0.0	-73.17	380.79	7.64	-65.53
CO[C@H]1C[C@@H](CNC(=O)NCCCC(=O)[O-])N(C2=CC(C)=[NH+]C=N2)C1	REAL300013854533	1	50	0.0	-66.71	397.01	4.82	-61.89
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)NCCCC(=O)[O-]	REAL300013854534	0	54	0.0	-63.50	405.72	10.45	-53.05
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)NCCCC(=O)[O-]	REAL300013854534	1	54	0.0	-62.78	386.83	9.85	-52.93
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCCCC(=O)[O-]	REAL300013854536	0	53	0.0	-71.64	390.35	9.10	-62.54
O=C([O-])CCCNC(=O)NC1CCC[N@H+](CCN2CCOCC2)C1	REAL300013854559	0	54	0.0	-74.92	404.96	3.10	-71.82
O=C([O-])CCCNC(=O)NC1CCC[N@@H+](CCN2CCOCC2)C1	REAL300013854559	1	54	0.0	-74.89	404.96	3.09	-71.80
CCC1=CC=C(C[NH+]2CCN(C(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013854572	1	51	0.0	-72.16	393.10	9.74	-62.42
C[NH+]1CCN(C2=CC=C(CNC(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300013854575	0	50	0.0	-74.96	389.94	5.54	-69.42
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013854576	1	48	0.0	-69.24	365.21	8.94	-60.30
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013854577	0	52	0.0	-72.91	368.39	4.20	-68.71
CCC1([NH+]2CCCCC2)CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013854581	0	54	0.0	-66.51	369.91	8.43	-58.08
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NCCCC(=O)[O-])CC2)C[C@H](C)O1	REAL300013854601	0	58	0.0	-76.48	421.12	8.46	-68.02
C[C@@H]1C[N@H+](CCC2CCN(C(=O)NCCCC(=O)[O-])CC2)C[C@H](C)O1	REAL300013854601	1	58	0.0	-76.59	427.14	8.40	-68.19
C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCCCC(=O)[O-])CC2)C[C@H](C)O1	REAL300013854606	0	55	0.0	-75.55	399.35	7.85	-67.70
C[C@@H]1C[N@H+](CC2CCN(C(=O)NCCCC(=O)[O-])CC2)C[C@H](C)O1	REAL300013854606	1	55	0.0	-75.92	405.53	7.83	-68.09
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)NCCCC(=O)[O-]	REAL300013854617	0	54	0.0	-68.79	394.72	9.76	-59.03
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)NCCCC(=O)[O-]	REAL300013854617	1	54	0.0	-68.31	406.48	10.15	-58.16
CC1([NH+]2CCCCC2)CCN(C(=O)NCCCC(=O)[O-])CC1	REAL300013854653	0	51	0.0	-67.80	355.51	7.71	-60.09
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCCC(=O)[O-])CCCCC1	REAL300013854655	0	57	0.0	-67.04	408.28	9.85	-57.19
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCCC(=O)[O-])CCCCC1	REAL300013854655	1	57	0.0	-68.42	411.41	9.03	-59.39
C[C@]12CN(C(=O)NCCCC(=O)[O-])C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300013854657	0	52	0.0	-78.68	400.54	9.47	-69.21
C[C@]12CN(C(=O)NCCCC(=O)[O-])C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300013854657	1	52	0.0	-68.32	400.72	9.51	-58.81
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCCC(=O)[O-])CCOCC1	REAL300013854672	0	55	0.0	-68.64	400.03	7.49	-61.15
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCCC(=O)[O-])CCOCC1	REAL300013854672	1	55	0.0	-69.40	400.41	7.37	-62.03
CC[N@@H+]1CCCN(C(=O)NCCCC(=O)[O-])CCOCC1	REAL300013854702	0	48	0.0	-65.44	351.76	5.93	-59.51
CC[N@H+]1CCCN(C(=O)NCCCC(=O)[O-])CCOCC1	REAL300013854702	1	48	0.0	-69.15	343.88	6.08	-63.07
O=C([O-])CCCNC(=O)NC1CCC[N@@H+]2CCSCC12	REAL300013854708	0	43	0.0	-72.91	333.75	6.23	-66.68
O=C([O-])CCCNC(=O)NC1CCC[N@H+]2CCSCC12	REAL300013854708	1	43	0.0	-73.08	338.16	5.70	-67.38
CC1([NH+]2CCCC2)CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013854737	0	51	0.0	-68.08	360.78	6.74	-61.34
O=C([O-])CCCNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300013854743	0	52	0.0	-76.06	392.07	10.03	-66.03
O=C([O-])CCCNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300013854743	1	52	0.0	-74.59	391.88	9.50	-65.09
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)NCCCC(=O)[O-]	REAL300013854753	0	44	0.0	-69.87	336.41	5.07	-64.80
C[NH+](C)CCC(NC(=O)NCCCC(=O)[O-])C1=CC=CN=C1	REAL300013854769	0	46	0.0	-74.99	370.74	6.01	-68.98
NC1=[NH+]C(C2CC2)=NC(N2CCN(C(=O)NCCCC(=O)[O-])CC2)=N1	REAL300013854814	1	48	0.0	-64.05	381.05	8.24	-55.81
NC1=NC(C2CC2)=[NH+]C(N2CCN(C(=O)NCCCC(=O)[O-])CC2)=N1	REAL300013854814	1	48	0.0	-61.27	379.80	8.18	-53.09
O=C([O-])CCCNC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300013854858	0	55	0.0	-75.62	436.84	10.33	-65.29
O=C([O-])CCCNC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300013854858	1	55	0.0	-75.97	436.56	10.36	-65.61
CC[NH+](CC)CC(CC)(CC)NC(=O)NCCCC(=O)[O-]	REAL300013854864	0	52	0.0	-68.37	359.32	7.76	-60.61
CC1([NH+]2CCOCC2)CCC(NC(=O)NCCCC(=O)[O-])CC1	REAL300013854931	0	52	0.0	-70.42	367.05	4.99	-65.43
CN(C)C1=CC=C(C(CNC(=O)NCCCC(=O)[O-])[NH+](C)C)C=C1	REAL300013854948	0	52	0.0	-70.29	397.99	6.76	-63.53
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCCCC(=O)[O-]	REAL300013854949	0	54	0.0	-75.41	412.65	8.68	-66.73
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCCCC(=O)[O-]	REAL300013854949	1	54	0.0	-70.64	405.41	8.48	-62.16
O=C([O-])CCCNC(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300013854977	0	55	0.0	-77.53	412.58	8.87	-68.66
O=C([O-])CCCNC(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300013854977	1	55	0.0	-77.71	412.81	9.11	-68.60
C[C@@H]1CN(C(=O)NCCCC(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013854992	1	48	0.0	-71.01	362.66	8.89	-62.12
C[C@@H]1CN(C(=O)NCCCC(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013854992	1	48	0.0	-68.91	366.83	8.75	-60.16
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013856045	0	61	0.0	-71.32	453.73	8.68	-62.64
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013856052	0	57	0.0	-71.23	441.36	8.57	-62.66
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)NCCCC(=O)[O-]	REAL300013856052	1	57	0.0	-74.65	439.21	7.92	-66.73
CN(C(=O)NCCCC(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013856056	0	51	0.0	-66.75	384.31	10.60	-56.15
CN(C(=O)NCCCC(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300013856081	0	44	0.0	-72.72	343.75	5.00	-67.72
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)NCCCC(=O)[O-])CC1	REAL300013856124	0	57	0.0	-75.70	440.87	5.91	-69.79
O=C([O-])CCCNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300013856134	0	56	0.0	-68.63	414.15	6.93	-61.70
O=C([O-])CCCNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300013856134	1	56	0.0	-68.97	413.80	6.98	-61.99
O=C([O-])CCCNC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300013856146	1	49	0.0	-66.68	351.96	6.11	-60.57
CC1=CC=C(C[NH+]2CCN(C(=O)NCCCC(=O)[O-])CC2)C=C1	REAL300013856150	1	48	0.0	-72.15	371.62	8.98	-63.17
O=C([O-])CCCNC(=O)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300013856167	0	51	0.0	-69.39	378.81	7.22	-62.17
O=C([O-])CCCNC(=O)NCC1CCC[N@H+](C2CCCC2)C1	REAL300013856167	1	51	0.0	-69.39	378.82	7.22	-62.17
CC(CNC(=O)NCCCC(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013856190	1	46	0.0	-63.05	364.89	5.96	-57.09
CN(C)C1=CC=C(C(C)(C)CNC(=O)NCCCC(=O)[O-])C=[NH+]1	REAL300013856192	1	49	0.0	-61.51	377.63	6.47	-55.04
CCCC1=[NH+]C=CN1C1CCCN(C(=O)NCCCC(=O)[O-])C1	REAL300013856236	1	49	0.0	-63.52	380.20	8.84	-54.68
O=C([O-])CCCNC(=O)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300013856286	1	63	0.0	-74.23	438.74	8.08	-66.15
CC1(C)CC(NC(=O)NCCCC(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013856305	0	51	0.0	-66.59	391.33	7.62	-58.97
CC1(C)CC(NC(=O)NCCCC(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013856305	1	51	0.0	-66.65	386.55	7.71	-58.94
C[NH+](C)CC1=CC=C(CCNC(=O)NCCCC(=O)[O-])C=C1	REAL300013856324	0	47	0.0	-73.48	377.73	7.14	-66.34
O=C([O-])CCCNC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013856329	0	51	0.0	-72.27	385.61	8.03	-64.24
O=C([O-])CCCNC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013856329	1	51	0.0	-72.08	386.26	8.12	-63.96
CC[N@H+](CCNC(=O)NCCCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013856346	0	47	0.0	-74.38	391.98	7.67	-66.71
CC[N@@H+](CCNC(=O)NCCCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300013856346	1	47	0.0	-74.50	386.00	7.31	-67.19
C[C@@H]1C[N@H+](C2CCN(C(=O)NCCCC(=O)[O-])CC2)C[C@H](C)O1	REAL300013856377	0	52	0.0	-72.34	383.33	6.83	-65.51
C[C@@H]1C[N@@H+](C2CCN(C(=O)NCCCC(=O)[O-])CC2)C[C@H](C)O1	REAL300013856377	1	52	0.0	-72.76	376.36	6.85	-65.91
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCCC(F)C2)CC1	REAL300013856439	1	45	0.0	-42.69	340.26	5.99	-36.70
CN1C=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=N1	REAL300013856547	1	44	0.0	-51.24	351.04	3.50	-47.74
COCC1(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013856584	1	49	0.0	-36.81	379.60	5.09	-31.72
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CCOCC1	REAL300013856623	0	56	0.0	-71.52	421.99	7.81	-63.71
CC1=[NH+]C=CN1CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013856627	1	47	0.0	-62.01	364.54	5.23	-56.78
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CCOCC1	REAL300013856630	0	53	0.0	-66.11	388.27	6.38	-59.73
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C[NH+]1CCCC1	REAL300013856634	0	52	0.0	-64.06	378.57	5.65	-58.41
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3CC3)CC2)CCOCC1	REAL300013856637	0	50	0.0	-61.69	363.03	7.10	-54.59
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013856638	0	55	0.0	-68.73	414.75	9.09	-59.64
CCCC[N@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013856644	0	61	0.0	-70.15	430.82	9.21	-60.94
CCCC[N@@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013856644	1	61	0.0	-70.51	430.90	9.19	-61.32
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013856647	0	55	0.0	-66.17	421.78	9.19	-56.98
CC1=CC=C(CN(CC[NH+](C)C)C(=O)NCC2(C(=O)[O-])CCOCC2)O1	REAL300013856648	0	55	0.0	-66.49	418.95	8.10	-58.39
CC(C)[N@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013856650	0	58	0.0	-67.20	404.69	8.18	-59.02
CC(C)[N@@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013856650	1	58	0.0	-66.15	405.51	8.00	-58.15
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CO1	REAL300013856655	0	55	0.0	-54.72	402.27	5.82	-48.90
C[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300013856658	0	52	0.0	-64.15	393.60	6.31	-57.84
C[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300013856658	1	52	0.0	-66.26	392.60	6.47	-59.79
O=C([O-])C1(CNC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CCOCC1	REAL300013856660	1	50	0.0	-66.00	384.73	6.05	-59.95
O=C([O-])C1(CNC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CCOCC1	REAL300013856660	1	50	0.0	-67.14	386.35	6.02	-61.12
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013856679	0	55	0.0	-63.19	397.24	6.63	-56.56
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013856679	1	55	0.0	-62.77	390.41	6.63	-56.14
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013856682	0	61	0.0	-57.30	417.05	7.08	-50.22
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013856683	0	58	0.0	-58.42	418.08	7.23	-51.19
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013856684	0	58	0.0	-54.93	396.21	6.52	-48.41
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013856684	1	58	0.0	-54.13	398.22	6.32	-47.81
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013856686	0	56	0.0	-62.26	415.01	7.53	-54.73
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013856686	1	56	0.0	-63.25	415.59	7.78	-55.47
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013856713	0	59	0.0	-71.67	434.64	4.84	-66.83
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013856714	1	50	0.0	-58.79	382.42	5.81	-52.98
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013856722	0	63	0.0	-67.67	435.66	4.77	-62.90
O=C([O-])C1(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCOCC1	REAL300013856739	0	62	0.0	-64.57	425.97	10.19	-54.38
O=C([O-])C1(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCOCC1	REAL300013856739	1	62	0.0	-55.65	426.16	10.16	-45.49
CC(C)(C)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013856744	0	52	0.0	-60.95	360.72	6.26	-54.69
CC(C)(C)CC[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013856749	0	58	0.0	-63.42	408.20	7.94	-55.48
C[NH+](C)CCC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013856754	0	55	0.0	-69.94	391.89	7.59	-62.35
CCC[N@@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013856766	0	52	0.0	-65.90	382.87	5.50	-60.40
CCC[N@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013856766	1	52	0.0	-65.84	382.49	5.38	-60.46
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCOCC1	REAL300013856773	0	59	0.0	-70.04	435.49	8.42	-61.62
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCOCC1	REAL300013856775	0	62	0.0	-65.71	437.32	8.16	-57.55
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013856787	0	56	0.0	-67.44	425.07	6.33	-61.11
O=C([O-])C1(CNC(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)CCOCC1	REAL300013856788	0	56	0.0	-65.32	418.96	7.53	-57.79
O=C([O-])C1(CNC(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)CCOCC1	REAL300013856788	1	56	0.0	-66.75	426.22	7.58	-59.17
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCOCC1	REAL300013856789	0	56	0.0	-66.71	426.82	7.34	-59.37
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013856795	1	56	0.0	-68.09	413.31	4.28	-63.81
O=C([O-])C1(CNC(=O)N2CC[N@@H+]3CCCC3C2)CCOCC1	REAL300013856802	0	47	0.0	-58.44	337.01	5.97	-52.47
O=C([O-])C1(CNC(=O)N2CC[N@H+]3CCCC3C2)CCOCC1	REAL300013856802	1	47	0.0	-59.10	335.46	6.00	-53.10
CCOCC[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013856803	1	53	0.0	-59.86	385.94	5.67	-54.19
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+](C)CC1=CC=CC=C1	REAL300013856813	0	55	0.0	-62.43	404.80	7.48	-54.95
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300013856813	1	55	0.0	-62.00	403.56	7.12	-54.88
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013856816	0	61	0.0	-56.24	423.53	6.97	-49.27
CCC1CCC[N@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013856816	1	61	0.0	-58.11	413.99	7.11	-51.00
CC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013856818	0	52	0.0	-55.50	369.65	5.70	-49.80
CC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013856818	1	52	0.0	-62.72	365.65	5.00	-57.72
O=C([O-])C1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCOCC1	REAL300013856828	0	58	0.0	-67.40	421.62	7.09	-60.31
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=C(F)C=C1	REAL300013856837	0	52	0.0	-65.13	394.63	6.40	-58.73
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCCCC1	REAL300013856850	0	52	0.0	-54.94	369.27	5.25	-49.69
CC(C)(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013856855	0	55	0.0	-62.17	385.88	5.56	-56.61
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C[NH+]1CCCCC1	REAL300013856856	0	55	0.0	-61.66	394.48	6.34	-55.32
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013856873	0	57	0.0	-65.92	430.23	5.22	-60.70
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)[NH+]2CCCC2)C=C1	REAL300013856875	0	59	0.0	-57.67	436.60	8.22	-49.45
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCC(C)CC1	REAL300013856876	0	55	0.0	-59.96	389.06	6.04	-53.92
CN1CC[N@H+](C)CC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013856898	0	51	0.0	-62.65	371.16	2.77	-59.88
CN1CC[N@@H+](C)CC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013856898	1	51	0.0	-63.27	363.71	2.32	-60.95
CC(C)[NH2+]C1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013856901	0	52	0.0	-65.42	370.27	5.10	-60.32
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013856905	1	56	0.0	-68.23	404.89	9.00	-59.23
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013856905	1	56	0.0	-61.21	406.72	9.25	-51.96
CC1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)([NH+](C)C)C1	REAL300013856926	0	58	0.0	-61.60	393.12	6.78	-54.82
O=C([O-])C1(CNC(=O)N2CC[NH+](CCC3=CC=CS3)CC2)CCOCC1	REAL300013856947	1	53	0.0	-65.60	402.68	8.34	-57.26
CCCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013856956	0	55	0.0	-64.62	400.26	6.15	-58.47
CN1CCC([NH+]2CCC(NC(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013856960	0	61	0.0	-64.61	428.40	4.24	-60.37
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCOCC1	REAL300013856992	0	60	0.0	-61.65	416.52	7.21	-54.44
CCCC[N@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857002	0	51	0.0	-62.17	377.66	4.91	-57.26
CCCC[N@@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857002	1	51	0.0	-62.27	377.67	4.91	-57.36
O=C([O-])C1(CNC(=O)NCC[NH+]2CCSCC2)CCOCC1	REAL300013857003	1	47	0.0	-66.50	356.48	4.54	-61.96
CN(CC[NH+]1CCCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857016	0	49	0.0	-56.47	360.53	6.31	-50.16
O=C([O-])C1(CNC(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CCOCC1	REAL300013857076	0	58	0.0	-73.25	434.00	6.66	-66.59
CC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857085	0	52	0.0	-66.70	376.62	5.52	-61.18
O=C([O-])C1(CNC(=O)N2CC[NH+](C3CC4=CC=CC=C4C3)CC2)CCOCC1	REAL300013857095	0	57	0.0	-69.06	414.20	9.62	-59.44
CC([NH2+]C(C)(C)CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300013857106	0	58	0.0	-63.15	417.38	6.57	-56.58
CCC1CCCC[N@@H+]1CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857109	0	55	0.0	-60.85	385.85	5.56	-55.29
CCC1CCCC[N@H+]1CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857109	1	55	0.0	-60.34	392.43	5.88	-54.46
O=C([O-])C1(CNC(=O)N2CC[NH+](C3CCC3)CC2)CCOCC1	REAL300013857112	0	50	0.0	-60.28	359.97	6.84	-53.44
CN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013857115	0	59	0.0	-70.41	428.25	9.72	-60.69
CC[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CC1	REAL300013857130	0	49	0.0	-60.03	364.38	4.93	-55.10
CC[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CC1	REAL300013857130	1	49	0.0	-60.98	365.07	5.00	-55.98
CC[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)C	REAL300013857144	0	51	0.0	-60.16	364.58	4.51	-55.65
CC[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)C	REAL300013857144	1	51	0.0	-60.58	363.88	4.41	-56.17
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)[NH+]2CCCC2)O1	REAL300013857156	0	56	0.0	-53.57	413.80	6.48	-47.09
COCCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857173	0	56	0.0	-67.08	412.43	4.44	-62.64
COCC[N@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857175	0	49	0.0	-60.80	367.25	2.56	-58.24
COCC[N@@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857175	1	49	0.0	-61.89	367.27	2.56	-59.33
CCC[NH+]1CCC(N(C)C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857179	0	55	0.0	-67.43	391.16	7.61	-59.82
CCC(C)[N@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857181	0	51	0.0	-59.12	365.95	4.52	-54.60
CCC(C)[N@@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857181	1	51	0.0	-61.96	368.69	4.73	-57.23
O=C([O-])C1(CNC(=O)N2CCC([NH+]3CCCC3)C2)CCOCC1	REAL300013857182	0	50	0.0	-63.98	367.27	6.23	-57.75
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857196	0	58	0.0	-68.32	429.02	9.69	-58.63
O=C([O-])C1(CNC(=O)N2CCCC2C[NH+]2CCCC2)CCOCC1	REAL300013857209	0	53	0.0	-62.35	380.79	6.99	-55.36
CC(C)[N@@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857226	0	52	0.0	-57.97	360.53	7.17	-50.80
CC(C)[N@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857226	1	52	0.0	-64.15	360.92	7.15	-57.00
CCC[NH+](CCC)CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857233	0	57	0.0	-65.83	411.66	6.26	-59.57
CC1CC[NH+](CC2CCCN(C(=O)NCC3(C(=O)[O-])CCOCC3)C2)CC1	REAL300013857266	0	62	0.0	-65.54	432.47	9.24	-56.30
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013857280	0	59	0.0	-58.63	423.13	7.78	-50.85
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013857280	1	59	0.0	-60.41	420.53	8.07	-52.34
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857297	0	61	0.0	-61.97	439.20	10.13	-51.84
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857301	0	61	0.0	-66.27	458.28	10.86	-55.41
O=C([O-])C1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCOCC1	REAL300013857308	0	57	0.0	-70.04	410.34	6.53	-63.51
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013857310	0	59	0.0	-71.71	448.70	6.96	-64.75
O=C([O-])C1(CNC(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)CCOCC1	REAL300013857312	0	59	0.0	-70.63	442.21	8.44	-62.19
O=C([O-])C1(CNC(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)CCOCC1	REAL300013857312	1	59	0.0	-68.55	442.48	8.50	-60.05
C[NH+]1CCC(CCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857319	0	52	0.0	-66.31	380.19	5.22	-61.09
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013857337	0	56	0.0	-62.69	406.45	7.50	-55.19
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013857337	1	56	0.0	-63.56	407.81	7.89	-55.67
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300013857338	1	53	0.0	-63.41	397.34	6.62	-56.79
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300013857338	1	53	0.0	-62.85	396.76	6.66	-56.19
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)CCOCC1	REAL300013857356	0	59	0.0	-62.46	412.04	8.89	-53.57
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857358	0	55	0.0	-61.31	432.11	9.63	-51.68
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857359	0	55	0.0	-61.72	421.78	9.19	-52.53
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857360	0	55	0.0	-64.68	428.07	9.24	-55.44
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857361	0	55	0.0	-57.07	423.17	9.07	-48.00
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857370	0	58	0.0	-69.25	432.67	6.25	-63.00
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857374	0	59	0.0	-69.07	417.69	6.49	-62.58
CN(CC1CC[NH+](C)CC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857376	0	52	0.0	-59.97	372.07	6.76	-53.21
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013857394	0	59	0.0	-71.66	447.64	7.08	-64.58
CC(C)(C)[N@@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857424	0	55	0.0	-56.00	376.26	7.53	-48.47
CC(C)(C)[N@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857424	1	55	0.0	-59.93	376.31	7.54	-52.39
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013857435	0	55	0.0	-68.09	414.99	6.99	-61.10
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013857435	1	55	0.0	-69.48	413.99	7.18	-62.30
O=C([O-])C1(CNC(=O)N2CCC[N@@H+](C3CC3)CC2)CCOCC1	REAL300013857438	0	50	0.0	-56.07	357.56	7.57	-48.50
O=C([O-])C1(CNC(=O)N2CCC[N@H+](C3CC3)CC2)CCOCC1	REAL300013857438	1	50	0.0	-60.99	357.98	7.60	-53.39
COC1=CC=[NH+]C(N2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)=C1	REAL300013857440	0	53	0.0	-65.14	391.62	5.00	-60.14
O=C([O-])C1(CNC(=O)NCC2C[N@@H+]3CCCC3CO2)CCOCC1	REAL300013857445	0	51	0.0	-62.48	369.00	3.69	-58.79
O=C([O-])C1(CNC(=O)NCC2C[N@H+]3CCCC3CO2)CCOCC1	REAL300013857445	1	51	0.0	-63.23	369.22	3.58	-59.65
C[NH+](C)C1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013857446	0	49	0.0	-62.90	348.07	5.81	-57.09
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+](C)C1CC1	REAL300013857447	0	49	0.0	-59.67	357.06	4.92	-54.75
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+](C)C1CC1	REAL300013857447	1	49	0.0	-59.60	357.75	4.92	-54.68
O=C([O-])C1(CNC(=O)N2CC[NH+](C3CC3)CC2)CCOCC1	REAL300013857449	1	47	0.0	-60.80	343.19	6.28	-54.52
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857450	0	60	0.0	-59.29	426.97	5.62	-53.67
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857450	1	60	0.0	-59.62	425.71	5.78	-53.84
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857450	1	60	0.0	-64.46	426.28	5.90	-58.56
O=C([O-])C1(CNC(=O)N2CCCC2C[NH+]2CCCCC2)CCOCC1	REAL300013857452	0	56	0.0	-57.06	391.75	7.53	-49.53
CC1C[NH+](CC2CCCN2C(=O)NCC2(C(=O)[O-])CCOCC2)CC(C)O1	REAL300013857454	1	60	0.0	-62.57	422.60	6.84	-55.73
CC(C)[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013857456	0	55	0.0	-62.66	395.59	5.83	-56.83
CC(C)[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013857456	1	55	0.0	-62.03	386.37	5.99	-56.04
O=C([O-])C1(CNC(=O)N2CC[N@@H+]3CCCCC3C2)CCOCC1	REAL300013857457	0	50	0.0	-59.47	356.19	6.37	-53.10
O=C([O-])C1(CNC(=O)N2CC[N@H+]3CCCCC3C2)CCOCC1	REAL300013857457	1	50	0.0	-62.75	355.13	6.56	-56.19
CC1CCC(C)[NH+]1CCN1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857458	0	64	0.0	-66.98	441.67	6.45	-60.53
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857460	0	55	0.0	-67.39	412.71	8.91	-58.48
CC[NH+](CC)CCN(CCOC)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857464	0	58	0.0	-56.08	418.13	6.54	-49.54
COCCN(CC[NH+](C)C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857466	0	52	0.0	-57.88	386.75	5.47	-52.41
C[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCCC1	REAL300013857473	0	52	0.0	-60.14	377.02	5.29	-54.85
C[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCCC1	REAL300013857473	1	52	0.0	-60.64	377.01	5.29	-55.35
O=C([O-])C1(CNC(=O)NC2CC[N@@H+]3CCCCC23)CCOCC1	REAL300013857483	0	50	0.0	-60.07	358.60	5.57	-54.50
O=C([O-])C1(CNC(=O)NC2CC[N@H+]3CCCCC23)CCOCC1	REAL300013857483	1	50	0.0	-61.28	362.39	5.29	-55.99
O=C([O-])C1(CNC(=O)N2CCCC([NH+]3CCCC3)C2)CCOCC1	REAL300013857497	0	53	0.0	-60.40	375.28	6.97	-53.43
CC1=[NH+]C=CN1CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857518	1	44	0.0	-57.47	344.04	4.29	-53.18
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCOCC1	REAL300013857544	0	57	0.0	-55.47	391.01	4.47	-51.00
CC1(C)CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013857550	0	59	0.0	-59.93	418.59	9.46	-50.47
CC1(C)CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013857550	1	59	0.0	-57.63	418.49	9.45	-48.18
C=C(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857559	0	53	0.0	-63.15	390.44	5.98	-57.17
C=CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857564	0	50	0.0	-63.82	371.80	5.20	-58.62
CC[NH+]1CCN(C2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)C2)CC1	REAL300013857629	0	58	0.0	-69.42	413.84	5.07	-64.35
CC(CN1CC[NH+](C)CC1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857633	0	54	0.0	-59.38	394.43	3.37	-56.01
CC(C[NH+]1CCN(C)CC1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857633	1	54	0.0	-58.33	392.76	3.45	-54.88
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857641	0	54	0.0	-50.72	410.14	7.49	-43.23
CC1CCCC(C)[NH+]1CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857655	0	55	0.0	-58.72	384.29	5.44	-53.28
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCOCC1	REAL300013857667	1	57	0.0	-70.20	430.16	5.79	-64.41
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CCOCC1	REAL300013857671	0	55	0.0	-71.39	410.24	5.91	-65.48
CC[NH+](CC)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857678	0	55	0.0	-62.81	379.49	7.12	-55.69
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)[NH+](C)C)C=C1	REAL300013857720	0	55	0.0	-62.37	405.28	8.08	-54.29
COCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857734	0	53	0.0	-62.59	390.31	3.83	-58.76
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCOCC1	REAL300013857742	0	59	0.0	-59.34	419.51	7.95	-51.39
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCOCC1	REAL300013857742	1	59	0.0	-61.00	428.59	8.64	-52.36
O=C([O-])C1(CNC(=O)NCC2CCC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013857743	0	59	0.0	-66.57	427.00	8.41	-58.16
O=C([O-])C1(CNC(=O)NCC2CCC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013857743	1	59	0.0	-68.08	424.47	7.82	-60.26
O=C([O-])C1(CNC(=O)N2CCCC([NH+]3CCCCC3)C2)CCOCC1	REAL300013857745	0	56	0.0	-61.00	389.66	7.67	-53.33
COC1CC[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857746	0	59	0.0	-58.84	414.81	4.91	-53.93
COC1CC[NH+](C2(CNC(=O)NCC3(C(=O)[O-])CCOCC3)CCCC2)CC1	REAL300013857747	0	63	0.0	-61.20	439.97	6.15	-55.05
O=C([O-])C1(CNC(=O)N2CCC([NH+]3CCCCC3)C2)CCOCC1	REAL300013857750	0	53	0.0	-63.62	382.13	6.87	-56.75
COCC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857754	0	56	0.0	-63.78	410.21	4.51	-59.27
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CC3CC3)C2)CCOCC1	REAL300013857763	0	50	0.0	-63.17	374.36	5.43	-57.74
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3CC3)C2)CCOCC1	REAL300013857763	1	50	0.0	-64.22	371.87	5.74	-58.48
CCCC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857769	0	58	0.0	-58.11	412.72	7.23	-50.88
CCCC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857769	1	58	0.0	-63.60	408.66	6.53	-57.07
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCC1	REAL300013857802	0	59	0.0	-60.85	425.42	8.36	-52.49
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCC1	REAL300013857802	1	59	0.0	-62.11	427.17	7.90	-54.21
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCOCC1	REAL300013857826	0	57	0.0	-69.01	412.40	4.68	-64.33
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCOCC1	REAL300013857833	0	57	0.0	-63.44	403.03	6.49	-56.95
CN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857839	0	57	0.0	-67.69	417.05	3.79	-63.90
C[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857839	1	57	0.0	-67.20	418.43	3.71	-63.49
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857848	1	56	0.0	-68.65	406.72	9.23	-59.42
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857848	1	56	0.0	-63.94	404.96	8.99	-54.95
CC[NH+](CC)CC(C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857860	0	51	0.0	-55.20	359.89	5.77	-49.43
O=C([O-])C1(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCOCC1	REAL300013857868	0	63	0.0	-65.22	430.11	6.19	-59.03
CC[N@@H+]1CCC2CCC(C1)N2C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857882	0	53	0.0	-51.96	366.72	7.54	-44.42
CC[N@H+]1CCC2CCC(C1)N2C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857882	1	53	0.0	-57.14	366.77	7.61	-49.53
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857895	0	57	0.0	-61.95	430.71	8.81	-53.14
C[NH+](C)CCN(CC1=CC=CS1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857897	0	52	0.0	-54.03	405.51	8.42	-45.61
C[NH+]1CCC2(CCCN2C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013857931	0	53	0.0	-49.30	360.31	6.21	-43.09
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857945	0	56	0.0	-66.60	392.42	4.71	-61.89
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857945	1	56	0.0	-60.85	392.67	4.72	-56.13
O=C([O-])C1(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCOCC1	REAL300013857971	0	57	0.0	-66.03	403.49	6.45	-59.58
C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)C[C@@H]21	REAL300013857993	0	47	0.0	-66.99	336.36	5.04	-61.95
C[N@H+]1CC[C@@H]2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)C[C@@H]21	REAL300013857993	1	47	0.0	-66.44	340.39	5.53	-60.91
C[NH+](C)CCCC(C)(C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013857999	0	54	0.0	-70.81	385.48	5.43	-65.38
C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@H](C)[N@H+]1CCO	REAL300013858004	0	53	0.0	-58.85	367.35	3.09	-55.76
C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@H](C)[N@@H+]1CCO	REAL300013858004	1	53	0.0	-60.60	367.91	2.55	-58.05
CC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013858018	0	59	0.0	-56.93	424.77	10.28	-46.65
CC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013858018	1	59	0.0	-57.48	422.05	9.76	-47.72
C[NH+]1C2CCC1CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C2	REAL300013858026	0	50	0.0	-66.73	344.95	6.19	-60.54
CCC1C[N@H+](CC)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858028	0	52	0.0	-66.03	367.91	7.26	-58.77
CCC1C[N@@H+](CC)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858028	1	52	0.0	-62.42	364.44	6.67	-55.75
C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858029	0	61	0.0	-60.93	433.92	9.06	-51.87
C[NH+](C)CCCCCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858030	0	57	0.0	-69.14	423.43	6.82	-62.32
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1CC[NH+](C)CC1	REAL300013858031	0	52	0.0	-65.51	376.60	5.67	-59.84
COCC[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013858032	0	50	0.0	-63.29	370.58	3.56	-59.73
COCC[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013858032	1	50	0.0	-63.35	372.64	3.25	-60.10
O=C([O-])C1(CNC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)CCOCC1	REAL300013858044	0	57	0.0	-63.23	393.00	6.61	-56.62
O=C([O-])C1(CNC(=O)N2CCC[N@H+](C3CCOCC3)CC2)CCOCC1	REAL300013858044	1	57	0.0	-68.30	392.94	6.59	-61.71
O=C([O-])C1(CNC(=O)N2CCCC([NH+]3CCCC3)CC2)CCOCC1	REAL300013858048	0	56	0.0	-55.71	387.31	8.23	-47.48
O=C([O-])C1(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCOCC1	REAL300013858053	0	56	0.0	-61.70	386.20	8.71	-52.99
O=C([O-])C1(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCOCC1	REAL300013858053	1	56	0.0	-63.00	388.00	8.64	-54.36
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C[NH+]1CCOCC1	REAL300013858059	1	53	0.0	-67.17	385.81	3.97	-63.20
CC(C)C1CCC([NH+]2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013858065	0	65	0.0	-61.30	445.65	9.64	-51.66
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C[N@@H+]1C1CC1	REAL300013858070	0	50	0.0	-60.68	366.44	5.12	-55.56
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C[N@H+]1C1CC1	REAL300013858070	1	50	0.0	-60.14	367.21	5.30	-54.84
CC1C[N@H+](C)CCC1N(C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858081	0	52	0.0	-68.96	360.26	6.74	-62.22
CC1C[N@@H+](C)CCC1N(C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858081	1	52	0.0	-69.04	359.60	6.58	-62.46
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)(C)C[NH+](C)C	REAL300013858082	0	54	0.0	-69.12	376.58	5.72	-63.40
CC[N@H+](CCC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1)CC1CC1	REAL300013858130	0	65	0.0	-67.91	460.19	10.50	-57.41
CC[N@@H+](CCC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1)CC1CC1	REAL300013858130	1	65	0.0	-68.38	460.15	10.49	-57.89
CC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1CC(C)(C)O	REAL300013858146	0	56	0.0	-61.06	394.38	4.62	-56.44
CC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1CC(C)(C)O	REAL300013858146	1	56	0.0	-63.06	388.54	4.82	-58.24
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCC1	REAL300013858153	0	49	0.0	-61.07	346.72	4.79	-56.28
O=C([O-])C1(CNC(=O)NCC[N@@H+]2CCCOCC2)CCOCC1	REAL300013858162	0	50	0.0	-63.51	362.45	3.11	-60.40
O=C([O-])C1(CNC(=O)NCC[N@H+]2CCCOCC2)CCOCC1	REAL300013858162	1	50	0.0	-62.03	358.90	2.88	-59.15
CN(CC1([NH+](C)C)CCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858166	0	52	0.0	-63.22	357.80	6.74	-56.48
CC1=[NH+]C=CN1CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858180	1	47	0.0	-62.01	364.54	5.23	-56.78
C[NH+](C)CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=C(Cl)C=C1	REAL300013858194	0	52	0.0	-56.19	407.95	7.15	-49.04
O=C([O-])C1(CNC(=O)N2CC[NH+]3CCC2CC3)CCOCC1	REAL300013858195	0	47	0.0	-73.26	326.92	5.95	-67.31
C[C@H](O)C[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858196	1	50	0.0	-64.19	362.90	3.12	-61.07
C[C@@H](O)C[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858197	1	50	0.0	-62.36	362.69	3.02	-59.34
CC(O)C[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C(C)C1	REAL300013858199	0	53	0.0	-61.49	379.25	3.84	-57.65
CC(O)C[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C(C)C1	REAL300013858199	1	53	0.0	-61.83	379.41	3.87	-57.96
CC1(C)CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1CCO	REAL300013858200	0	53	0.0	-55.61	370.12	3.31	-52.30
CC1(C)CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1CCO	REAL300013858200	1	53	0.0	-62.00	368.60	3.63	-58.37
CCC(C)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858231	0	52	0.0	-59.91	365.87	6.65	-53.26
O=C([O-])C1(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCOCC1	REAL300013858234	0	60	0.0	-73.26	424.83	7.06	-66.20
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858248	0	64	0.0	-58.24	412.91	8.49	-49.75
CC(C)C1C[N@H+](C)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858259	0	52	0.0	-67.68	358.72	6.26	-61.42
CC(C)C1C[N@@H+](C)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858259	1	52	0.0	-68.12	351.49	5.60	-62.52
O=C([O-])C1(CNC(=O)N2CCC[N@@H+]3CCCC3C2)CCOCC1	REAL300013858281	0	50	0.0	-53.40	341.41	7.11	-46.29
O=C([O-])C1(CNC(=O)N2CCC[N@H+]3CCCC3C2)CCOCC1	REAL300013858281	1	50	0.0	-61.44	342.52	7.57	-53.87
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858282	0	59	0.0	-70.04	430.63	4.54	-65.50
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858282	1	59	0.0	-71.05	431.21	4.56	-66.49
C[N@H+](CCCO)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858283	0	56	0.0	-68.44	398.65	4.13	-64.31
C[N@@H+](CCCO)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858283	1	56	0.0	-67.81	399.60	3.93	-63.88
C[NH+]1CCC(O)(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858293	0	50	0.0	-68.14	365.23	1.99	-66.15
C[NH+](C)CCN(CC1=CC=CO1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858316	0	52	0.0	-65.91	397.04	7.28	-58.63
O=C([O-])C1(CNC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCOCC1	REAL300013858338	0	55	0.0	-68.01	406.92	4.65	-63.36
CC[N@H+](CCC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1)CC(C)C	REAL300013858357	0	67	0.0	-68.43	461.88	10.11	-58.32
CC[N@@H+](CCC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1)CC(C)C	REAL300013858357	1	67	0.0	-70.25	466.11	10.39	-59.86
COC(=O)CC[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C(C)C1	REAL300013858370	1	55	0.0	-72.07	401.55	6.85	-65.22
COC(=O)CC[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C(C)C1	REAL300013858370	1	55	0.0	-70.03	401.51	6.87	-63.16
C[NH+](C)CCC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013858396	0	55	0.0	-72.96	418.74	7.37	-65.59
C[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1CC1=CC=CC=C1	REAL300013858435	1	56	0.0	-66.89	409.86	8.79	-58.10
C[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1CC1=CC=CC=C1	REAL300013858435	1	56	0.0	-64.03	399.57	8.67	-55.36
COC1=CC=C(C(C[NH+](C)C)NC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013858440	0	56	0.0	-51.84	419.44	6.53	-45.31
CC[NH+]1CCN(CC(C)(C)NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858462	0	60	0.0	-63.70	420.42	5.57	-58.13
CCN1CC[NH+](CC(C)(C)NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858462	1	60	0.0	-63.93	416.75	5.21	-58.72
CC(C)(C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858481	0	52	0.0	-62.77	363.06	5.29	-57.48
CN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300013858486	0	55	0.0	-74.53	409.29	7.99	-66.54
CC(C)[N@@H+]1CCC(N(C)C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013858487	0	52	0.0	-59.63	372.71	6.51	-53.12
CC(C)[N@H+]1CCC(N(C)C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013858487	1	52	0.0	-62.44	369.27	6.88	-55.56
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858507	0	59	0.0	-66.37	419.06	10.18	-56.19
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858507	1	59	0.0	-59.77	418.42	10.20	-49.57
O=C([O-])C1(CNC(=O)NCC2(O)CC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013858514	0	57	0.0	-65.03	426.93	4.39	-60.64
O=C([O-])C1(CNC(=O)NCC2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013858514	1	57	0.0	-65.61	429.06	4.60	-61.01
C[NH+](C)CCN(CC1CCCO1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858526	0	56	0.0	-50.53	408.73	6.74	-43.79
CC(C)C[N@@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013858551	0	55	0.0	-64.87	400.53	6.09	-58.78
CC(C)C[N@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013858551	1	55	0.0	-65.23	399.98	6.05	-59.18
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013858566	0	56	0.0	-63.89	417.27	7.60	-56.29
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013858566	1	56	0.0	-64.63	411.99	7.28	-57.35
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858571	0	50	0.0	-55.05	368.25	5.82	-49.23
CC1C[N@H+](C2CC2)CC1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858571	1	50	0.0	-57.18	368.14	5.88	-51.30
C[NH+](C)CCN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CCCC1	REAL300013858575	0	55	0.0	-54.85	390.38	7.82	-47.03
CCC(C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858576	0	52	0.0	-56.15	375.42	5.53	-50.62
C[N@H+]1CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858592	0	47	0.0	-66.77	354.96	4.48	-62.29
C[N@@H+]1CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858592	1	47	0.0	-66.21	354.95	4.49	-61.72
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858598	0	55	0.0	-63.04	411.32	7.73	-55.31
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858598	1	55	0.0	-67.34	411.31	7.73	-59.61
CCN(CCC[NH+](C)C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858608	0	51	0.0	-62.90	376.88	7.06	-55.84
CCCN(CCC[NH+](C)C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858615	0	54	0.0	-62.92	398.37	7.83	-55.09
C[NH+](C)CCOCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858616	0	49	0.0	-65.24	370.32	3.16	-62.08
CCN(CCC[NH+](CC)CC)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858622	0	57	0.0	-60.34	408.11	8.15	-52.19
CCN(CCC[NH+]1CCCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858623	0	55	0.0	-61.48	402.84	8.25	-53.23
CO[C@H]1C[C@@H](CN(C)C(=O)NCC2(C(=O)[O-])CCOCC2)[N@H+](C)C1	REAL300013858642	0	53	0.0	-59.57	383.60	5.81	-53.76
CO[C@H]1C[C@@H](CN(C)C(=O)NCC2(C(=O)[O-])CCOCC2)[N@@H+](C)C1	REAL300013858642	1	53	0.0	-68.20	381.34	4.84	-63.36
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013858646	0	55	0.0	-65.01	399.42	6.80	-58.21
CC1=CC=CC=C1C(C(C)NC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+](C)C	REAL300013858647	0	58	0.0	-54.39	409.89	7.81	-46.58
C[N@H+](CCCCNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CC1	REAL300013858662	0	52	0.0	-65.65	388.20	5.87	-59.78
C[N@@H+](CCCCNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CC1	REAL300013858662	1	52	0.0	-65.86	388.34	5.88	-59.98
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCOCC1	REAL300013858698	1	58	0.0	-60.23	394.53	3.52	-56.71
CC1CC(N(C)C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1C	REAL300013858707	0	52	0.0	-68.07	361.75	6.39	-61.68
CC1CC(N(C)C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1C	REAL300013858707	1	52	0.0	-68.26	361.71	6.38	-61.88
CC1=[NH+]C=CN1CCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858715	1	50	0.0	-63.13	386.04	6.02	-57.11
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC2=CC=CC=C2C1	REAL300013858717	0	56	0.0	-61.81	400.70	7.58	-54.23
CC(C)(O)C[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858759	0	53	0.0	-63.02	376.32	4.18	-58.84
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCOCC1	REAL300013858798	0	60	0.0	-63.14	422.95	4.11	-59.03
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013858836	0	59	0.0	-62.00	443.83	8.59	-53.41
CCC(C)[NH2+]C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CO1	REAL300013858865	0	55	0.0	-57.47	405.51	4.95	-52.52
C[N@@H+]1CCCC(CCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013858895	0	52	0.0	-68.83	371.54	4.95	-63.88
C[N@H+]1CCCC(CCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013858895	1	52	0.0	-69.55	371.54	4.94	-64.61
C[NH+](C)CCN(CC1=CSC=C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858898	0	52	0.0	-62.74	398.61	7.97	-54.77
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1C	REAL300013858951	0	49	0.0	-65.72	348.54	4.26	-61.46
CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1C	REAL300013858951	1	49	0.0	-65.17	355.83	4.67	-60.50
COCCC[N@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858954	0	52	0.0	-66.41	388.84	3.38	-63.03
COCCC[N@@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013858954	1	52	0.0	-64.58	389.84	3.20	-61.38
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C[NH+]1CCN(C)CC1	REAL300013858968	0	57	0.0	-65.37	411.02	3.81	-61.56
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)CN1CC[NH+](C)CC1	REAL300013858968	1	57	0.0	-67.57	413.75	4.17	-63.40
CCN1CC[NH+](CC(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858969	0	60	0.0	-65.47	429.15	4.60	-60.87
CC[NH+]1CCN(CC(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858969	1	60	0.0	-68.07	432.17	4.87	-63.20
CC(C)[NH+]1CCC(O)(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013858981	0	56	0.0	-63.65	397.93	3.12	-60.53
CN(CCCN1CC[NH+](C)CC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859008	0	57	0.0	-63.10	414.56	5.34	-57.76
CN(CCC[NH+]1CCN(C)CC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859008	1	57	0.0	-62.07	413.18	5.40	-56.67
C[N@@H+]1CCC2C(CCCN2C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859009	0	53	0.0	-67.17	362.48	6.68	-60.49
C[N@H+]1CCC2C(CCCN2C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859009	1	53	0.0	-68.51	362.35	6.69	-61.82
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013859015	0	59	0.0	-60.85	439.01	8.51	-52.34
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013859015	1	59	0.0	-70.53	439.57	8.40	-62.13
C[NH+]1CCC(C)(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013859025	0	52	0.0	-66.77	369.31	5.30	-61.47
O=C([O-])C1(CNC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCOCC1	REAL300013859026	0	63	0.0	-73.90	446.37	7.86	-66.04
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C[NH+]1CCCC1	REAL300013859053	0	55	0.0	-65.01	385.10	6.10	-58.91
CC[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)CCC(F)(F)F	REAL300013859069	0	51	0.0	-69.40	386.81	5.09	-64.31
CC[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)CCC(F)(F)F	REAL300013859069	1	51	0.0	-67.93	392.27	5.19	-62.74
CCCN(CC[NH+]1CCCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859072	0	55	0.0	-57.17	403.84	8.05	-49.12
CC1CC([NH+]2CCCC2)CN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859078	0	53	0.0	-61.94	383.08	6.97	-54.97
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859081	0	53	0.0	-65.50	403.90	7.84	-57.66
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859081	1	53	0.0	-66.55	401.46	8.04	-58.51
CN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CC2CCC(C1)[NH+]2C	REAL300013859087	0	53	0.0	-54.75	345.51	4.85	-49.90
CCCN(CC[NH+]1CCCCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859088	0	58	0.0	-60.27	414.03	8.75	-51.52
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C2	REAL300013859099	0	60	0.0	-64.66	418.95	6.30	-58.36
CCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013859121	0	52	0.0	-63.94	378.76	5.37	-58.57
C[N@@H+]1CC2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2C1C1=CC=CC=C1	REAL300013859134	0	57	0.0	-65.45	408.89	8.28	-57.17
C[N@H+]1CC2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2C1C1=CC=CC=C1	REAL300013859134	1	57	0.0	-68.26	417.29	9.20	-59.06
O=C([O-])C1(CNC(=O)NC2CCCCC2[NH+]2CCOCC2)CCOCC1	REAL300013859157	1	57	0.0	-55.76	400.81	4.63	-51.13
CC1CCCC[N@@H+]1CCC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013859160	0	65	0.0	-70.58	443.47	9.64	-60.94
CC1CCCC[N@H+]1CCC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013859160	1	65	0.0	-66.71	449.35	9.90	-56.81
CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C(N2CCCC2)=[NH+]1	REAL300013859197	1	55	0.0	-56.96	403.97	6.29	-50.67
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC[N@H+](C)CC1	REAL300013859199	0	50	0.0	-70.15	369.14	5.49	-64.66
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC[N@@H+](C)CC1	REAL300013859199	1	50	0.0	-69.75	368.72	5.40	-64.35
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCC[N@@H+](C2CCC2)C1	REAL300013859201	0	59	0.0	-63.95	417.52	7.32	-56.63
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCC[N@H+](C2CCC2)C1	REAL300013859201	1	59	0.0	-61.66	416.51	7.41	-54.25
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)CCOCC1	REAL300013859204	0	57	0.0	-64.92	427.30	4.59	-60.33
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)CCOCC1	REAL300013859204	1	57	0.0	-59.85	423.52	5.20	-54.65
CC[NH+](CC)CCCC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013859216	0	64	0.0	-70.76	444.78	9.49	-61.27
CC1C[N@H+](CCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CCCO1	REAL300013859245	0	56	0.0	-66.16	402.09	5.11	-61.05
CC1C[N@@H+](CCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CCCO1	REAL300013859245	1	56	0.0	-66.56	404.59	4.63	-61.93
CN1CC[NH+](CC2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013859249	0	61	0.0	-69.30	428.44	6.32	-62.98
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859256	0	52	0.0	-59.49	384.16	5.28	-54.21
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859256	1	52	0.0	-58.03	375.08	5.02	-53.01
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859264	0	55	0.0	-65.65	414.15	7.91	-57.74
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859264	1	55	0.0	-65.88	412.78	7.81	-58.07
CC1C([NH+]2CCCC2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859282	0	53	0.0	-64.71	379.48	6.81	-57.90
CCN(CC[NH+]1CCCCCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859284	0	58	0.0	-57.21	408.03	8.18	-49.03
CN(CCC1CCCC[N@@H+]1C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859289	0	55	0.0	-61.08	392.00	7.62	-53.46
CN(CCC1CCCC[N@H+]1C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859289	1	55	0.0	-66.19	392.67	7.63	-58.56
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013859296	0	59	0.0	-64.71	417.32	9.25	-55.46
C[N@@H+]1CCCC2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)CCC21	REAL300013859333	0	53	0.0	-70.12	364.18	6.66	-63.46
C[N@H+]1CCCC2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)CCC21	REAL300013859333	1	53	0.0	-64.98	370.55	6.98	-58.00
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013859344	0	57	0.0	-68.36	405.28	5.94	-62.42
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013859344	1	57	0.0	-68.89	405.51	5.79	-63.10
O=C([O-])C1(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)CCOCC1	REAL300013859345	0	56	0.0	-64.16	386.23	7.64	-56.52
CC1=CC=[NH+]C(N2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)=C1	REAL300013859348	1	52	0.0	-61.77	383.47	6.36	-55.41
NC1=CN=[NH+]C(NNC(=O)NCC2(C(=O)[O-])CCOCC2)=C1Cl	REAL300013859358	0	40	0.0	-49.34	328.39	1.02	-48.32
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+]2C2CC2)CCOCC1	REAL300013859416	0	53	0.0	-60.82	377.70	5.80	-55.02
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+]2C2CC2)CCOCC1	REAL300013859416	1	53	0.0	-59.46	378.68	5.74	-53.72
CC1(C)CCC[N@H+](CCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859436	0	55	0.0	-60.66	390.25	5.91	-54.75
CC1(C)CCC[N@@H+](CCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859436	1	55	0.0	-61.75	391.84	5.87	-55.88
C[NH+](C)CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=C(F)C=C1	REAL300013859448	0	52	0.0	-52.77	396.35	7.30	-45.47
CC1C(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013859488	0	56	0.0	-63.09	419.34	7.73	-55.36
CC1C(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013859488	1	56	0.0	-63.55	411.51	7.25	-56.30
C[N@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859495	0	56	0.0	-69.32	414.92	8.79	-60.53
C[N@@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859495	1	56	0.0	-65.73	417.24	8.60	-57.13
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCOCC1	REAL300013859510	0	56	0.0	-64.95	403.05	6.83	-58.12
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCOCC1	REAL300013859510	1	56	0.0	-65.05	404.24	6.81	-58.24
CC[N@@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013859549	0	49	0.0	-56.53	345.64	6.83	-49.70
CC[N@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013859549	1	49	0.0	-63.10	345.83	6.84	-56.26
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1C[N@H+](C)CCO1	REAL300013859558	1	50	0.0	-67.61	367.76	3.33	-64.28
CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1C[N@@H+](C)CCO1	REAL300013859558	1	50	0.0	-66.77	366.14	3.35	-63.42
CC(CCNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCCCC1	REAL300013859567	0	55	0.0	-61.57	388.83	5.89	-55.68
CC(C1CC[NH+](C)CC1)N(C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859576	0	55	0.0	-67.65	390.14	7.74	-59.91
CC[NH+](CC)CCOCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859589	0	55	0.0	-63.74	405.53	4.49	-59.25
CN1CC[NH+](CC2(C)CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013859595	0	64	0.0	-65.86	432.57	6.30	-59.56
O=C([O-])C1(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CCOCC1	REAL300013859600	0	53	0.0	-61.83	384.79	5.88	-55.95
CC1=C[NH+]=CC=C1OC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013859611	1	54	0.0	-71.45	400.15	6.88	-64.57
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859629	0	57	0.0	-60.60	395.63	6.03	-54.57
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859629	1	57	0.0	-66.54	397.37	6.27	-60.27
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859630	0	57	0.0	-61.83	397.44	6.27	-55.56
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859630	1	57	0.0	-66.45	395.68	6.07	-60.38
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859640	0	58	0.0	-69.17	443.80	5.01	-64.16
CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859642	0	59	0.0	-62.60	427.97	5.50	-57.10
CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859642	1	59	0.0	-62.39	427.98	5.51	-56.88
CN(CCCN(C)C(=O)NCC1(C(=O)[O-])CCOCC1)CC[NH+](C)C	REAL300013859642	1	59	0.0	-68.65	428.48	5.70	-62.95
CCCN(CC[NH+]1CCCCCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859643	0	61	0.0	-59.21	428.53	9.12	-50.09
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859649	0	55	0.0	-63.02	411.36	7.73	-55.29
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859649	1	55	0.0	-64.20	411.36	7.71	-56.49
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859667	0	54	0.0	-57.34	393.76	6.35	-50.99
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859667	1	54	0.0	-58.25	393.75	6.38	-51.87
CCC[N@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859695	0	55	0.0	-68.17	400.08	7.22	-60.95
CCC[N@@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859695	1	55	0.0	-67.61	398.39	7.27	-60.34
CC[NH+](CC)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859696	0	52	0.0	-63.24	371.84	6.05	-57.19
O=C([O-])C1(CNC(=O)NC2CCC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013859704	0	56	0.0	-63.96	414.80	7.66	-56.30
O=C([O-])C1(CNC(=O)NC2CCC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013859704	1	56	0.0	-65.28	411.53	8.25	-57.03
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859712	0	59	0.0	-68.67	433.20	9.80	-58.87
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859712	1	59	0.0	-64.56	432.72	9.84	-54.72
CC(C)[NH+]1CCC(N2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013859719	0	64	0.0	-69.55	440.65	6.75	-62.80
CC[N@@H+]1CCC(N(C)C(=O)NCC2(C(=O)[O-])CCOCC2)C(C)C1	REAL300013859734	0	55	0.0	-65.93	372.98	7.30	-58.63
CC[N@H+]1CCC(N(C)C(=O)NCC2(C(=O)[O-])CCOCC2)C(C)C1	REAL300013859734	1	55	0.0	-61.42	369.91	6.77	-54.65
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859738	0	58	0.0	-65.36	415.77	6.95	-58.41
CC(C)C[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859738	1	58	0.0	-65.37	408.20	6.48	-58.89
O=C([O-])C1(CNC(=O)N2CCC3C(CCC[N@@H+]3C3CC3)C2)CCOCC1	REAL300013859743	0	57	0.0	-66.01	395.94	7.97	-58.04
O=C([O-])C1(CNC(=O)N2CCC3C(CCC[N@H+]3C3CC3)C2)CCOCC1	REAL300013859743	1	57	0.0	-62.77	391.75	7.71	-55.06
CCC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013859764	0	59	0.0	-58.57	424.91	9.51	-49.06
CCC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013859764	1	59	0.0	-66.67	420.99	9.77	-56.90
C[NH+](C)CC1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCCC1	REAL300013859777	0	55	0.0	-66.40	384.19	6.31	-60.09
C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@H](C)O1	REAL300013859817	1	56	0.0	-58.99	402.58	6.29	-52.70
C[C@@H]1C[N@H+](CCN(C)C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@H](C)O1	REAL300013859817	1	56	0.0	-63.28	408.86	6.23	-57.05
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859818	1	56	0.0	-61.90	399.85	6.15	-55.75
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859818	1	56	0.0	-63.03	401.47	6.09	-56.94
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859836	0	54	0.0	-57.65	396.46	6.16	-51.49
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859836	1	54	0.0	-58.41	395.38	6.31	-52.10
CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859838	0	51	0.0	-59.37	370.06	5.14	-54.23
CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859838	1	51	0.0	-59.25	366.18	5.63	-53.62
CCCC[N@H+](C)CC(C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859839	0	54	0.0	-57.62	396.47	6.16	-51.46
CCCC[N@@H+](C)CC(C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859839	1	54	0.0	-56.82	396.38	6.14	-50.68
CC1=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=CC(N2CCCC2)=[NH+]1	REAL300013859847	1	55	0.0	-55.35	415.76	5.28	-50.07
CSC1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC[NH+](C)CC1	REAL300013859849	0	53	0.0	-64.79	388.01	5.62	-59.17
CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013859869	0	59	0.0	-57.14	419.66	10.06	-47.08
CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013859869	1	59	0.0	-59.63	418.76	9.48	-50.15
C[N@@H+]1C2CCC1CN(C(=O)NCC1(C(=O)[O-])CCOCC1)CC2	REAL300013859892	0	50	0.0	-62.89	335.18	5.96	-56.93
C[N@H+]1C2CCC1CN(C(=O)NCC1(C(=O)[O-])CCOCC1)CC2	REAL300013859892	1	50	0.0	-55.14	335.01	5.96	-49.18
CC1=[NH+]C=CN1CCCN(C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859903	1	50	0.0	-58.35	383.17	7.46	-50.89
CC(C)N(CC[NH+](C)C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859915	0	51	0.0	-61.87	369.05	6.76	-55.11
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013859921	0	58	0.0	-70.53	426.29	6.59	-63.94
CC1CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013859924	0	59	0.0	-66.70	441.27	8.31	-58.39
CC1CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013859924	1	59	0.0	-64.45	430.09	7.86	-56.59
C[N@@H+]1CCC(O)(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859942	0	47	0.0	-62.12	351.14	0.78	-61.34
C[N@H+]1CCC(O)(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013859942	1	47	0.0	-66.78	349.94	1.01	-65.77
CCCN(CC[NH+](CC)CC)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859950	0	57	0.0	-58.78	412.58	8.42	-50.36
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859960	0	56	0.0	-67.14	419.09	7.70	-59.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859960	1	56	0.0	-67.00	416.09	8.11	-58.89
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859987	0	55	0.0	-57.26	376.19	6.88	-50.38
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013859987	1	55	0.0	-62.58	376.20	6.89	-55.69
O=C([O-])C1(CNC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013859995	0	56	0.0	-67.69	418.37	7.50	-60.19
O=C([O-])C1(CNC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013859995	1	56	0.0	-68.02	419.06	7.53	-60.49
CC[NH+](CC)[C@H](C)CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013860009	0	51	0.0	-59.20	359.01	4.93	-54.27
O=C([O-])C1(CNC(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CCOCC1	REAL300013860011	0	57	0.0	-69.09	416.55	9.02	-60.07
O=C([O-])C1(CNC(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CCOCC1	REAL300013860011	1	57	0.0	-73.43	419.16	9.18	-64.25
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013860024	0	54	0.0	-55.95	381.50	6.51	-49.44
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013860024	1	54	0.0	-55.91	387.21	5.93	-49.98
CCC[N@H+](CC)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013860027	0	54	0.0	-62.15	387.47	5.97	-56.18
CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013860027	1	54	0.0	-63.56	391.57	6.24	-57.32
CC1CCCC[N@@H+]1CC1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013860064	0	62	0.0	-60.55	428.88	9.36	-51.19
CC1CCCC[N@H+]1CC1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013860064	1	62	0.0	-56.67	422.22	9.02	-47.65
CC(C)[N@@H+]1C2CCC1CN(C(=O)NCC1(C(=O)[O-])CCOCC1)CC2	REAL300013860094	0	56	0.0	-55.08	373.69	7.44	-47.64
CC(C)[N@H+]1C2CCC1CN(C(=O)NCC1(C(=O)[O-])CCOCC1)CC2	REAL300013860094	1	56	0.0	-52.61	381.86	7.12	-45.49
O=C([O-])C1(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCOCC1	REAL300013860096	0	60	0.0	-68.34	429.64	7.90	-60.44
O=C([O-])C1(CNC(=O)N2CCC(C[NH+]3CCCC3)C2)CCOCC1	REAL300013860101	0	53	0.0	-66.37	386.99	6.96	-59.41
C[N@H+](CC1CC1)CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013860107	0	56	0.0	-69.50	409.38	8.24	-61.26
C[N@@H+](CC1CC1)CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013860107	1	56	0.0	-69.03	410.07	8.02	-61.01
CC(C)[NH+](CCCNC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)C	REAL300013860108	0	57	0.0	-62.10	398.01	5.67	-56.43
CC(C)OCC[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013860109	1	56	0.0	-59.73	406.22	6.42	-53.31
CN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013860112	0	59	0.0	-67.91	417.83	10.12	-57.79
CN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013860112	1	59	0.0	-53.81	417.51	9.82	-43.99
CC(CCNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+](C)CC1=CC=CC=C1	REAL300013860122	0	58	0.0	-65.25	423.88	7.63	-57.62
CC(CCNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300013860122	1	58	0.0	-65.11	424.53	7.60	-57.51
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=C(Cl)C=C1	REAL300013860128	0	52	0.0	-64.19	404.96	6.85	-57.34
CCC[N@H+](CC)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013860132	0	51	0.0	-62.59	368.66	4.72	-57.87
CCC[N@@H+](CC)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013860132	1	51	0.0	-60.16	374.14	4.82	-55.34
CC[NH+](CC)CCOC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013860138	0	59	0.0	-64.73	426.78	6.44	-58.29
O=C([O-])C1(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCOCC1	REAL300013860145	0	62	0.0	-70.77	439.39	9.56	-61.21
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013860149	1	59	0.0	-66.61	402.48	6.10	-60.51
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CC1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013860668	0	59	0.0	-68.75	437.48	8.31	-60.44
CC1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013860668	1	59	0.0	-66.58	438.22	8.16	-58.42
CN(CCC[NH+]1CCCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013860672	0	52	0.0	-61.29	381.03	7.26	-54.03
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C#CC[N@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013860707	0	47	0.0	-67.73	362.65	4.92	-62.81
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CCC1C[N@H+](C)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013860718	0	49	0.0	-65.75	346.93	6.06	-59.69
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CC[N@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013860763	0	52	0.0	-67.66	378.58	6.48	-61.18
CC[N@@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013860763	1	52	0.0	-66.97	376.89	6.53	-60.44
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013860766	0	59	0.0	-67.70	426.18	8.42	-59.28
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013860766	1	59	0.0	-66.44	425.78	8.65	-57.79
C[NH+](C)C1CCCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013860770	0	52	0.0	-70.12	373.48	5.32	-64.80
C[NH+]1CCC(N(CC2=CC=CC=C2)C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013860772	0	59	0.0	-68.75	421.57	10.09	-58.66
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3CCOC3)CC2)CCOCC1	REAL300013860790	0	54	0.0	-64.27	386.32	5.60	-58.67
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CC(C)[NH+]1CCN(C2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013860823	0	64	0.0	-63.31	434.09	6.26	-57.05
CC(C)N1CC[NH+](C2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013860823	1	64	0.0	-63.98	437.85	6.49	-57.49
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C[N@H+](CC1=CC=CC=C1)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CC1	REAL300013860857	0	59	0.0	-60.15	436.99	8.85	-51.30
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CC1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013861008	0	59	0.0	-64.92	432.30	8.23	-56.69
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CC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1[NH+]1CCOCC1	REAL300013861025	1	54	0.0	-66.27	385.26	5.06	-61.21
CC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCC1[NH+]1CCN(C)CC1	REAL300013861038	0	61	0.0	-64.31	419.84	5.51	-58.80
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCOCC1	REAL300013861042	0	59	0.0	-65.50	420.69	7.47	-58.03
CC[N@@H+]1CC(C)N(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1C	REAL300013861049	0	52	0.0	-55.72	365.48	6.60	-49.12
CC[N@H+]1CC(C)N(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1C	REAL300013861049	1	52	0.0	-63.09	364.54	6.78	-56.31
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861060	0	59	0.0	-59.53	422.51	9.29	-50.24
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861060	1	59	0.0	-59.47	421.58	9.45	-50.02
CCCC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1CCOC	REAL300013861062	0	59	0.0	-62.95	414.57	6.82	-56.13
CCCC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1CCOC	REAL300013861062	1	59	0.0	-62.56	419.03	6.86	-55.70
COCC[N@H+](C)CCCC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861063	0	65	0.0	-70.81	463.78	8.23	-62.58
COCC[N@@H+](C)CCCC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861063	1	65	0.0	-71.82	463.76	8.24	-63.58
C[NH+](C)CCCC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861064	0	58	0.0	-72.24	413.46	8.41	-63.83
O=C([O-])C1(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1	REAL300013861121	0	57	0.0	-66.12	404.17	6.28	-59.84
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861131	0	58	0.0	-64.36	417.02	7.10	-57.26
O=C([O-])C1(CNC(=O)NCC2CCC[N@H+]2CCCO)CCOCC1	REAL300013861132	0	53	0.0	-61.94	390.63	2.53	-59.41
O=C([O-])C1(CNC(=O)NCC2CCC[N@@H+]2CCCO)CCOCC1	REAL300013861132	1	53	0.0	-63.82	387.02	1.72	-62.10
O=C([O-])C1(CNC(=O)NC2CCC[N@@H+](CCCO)C2)CCOCC1	REAL300013861137	0	53	0.0	-68.67	389.61	2.21	-66.46
O=C([O-])C1(CNC(=O)NC2CCC[N@H+](CCCO)C2)CCOCC1	REAL300013861137	1	53	0.0	-68.07	385.62	2.74	-65.33
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013861171	0	56	0.0	-64.42	401.88	4.59	-59.83
CC(C)C[N@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013861171	1	56	0.0	-64.73	409.35	4.51	-60.22
C[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C(C2=CC=CC=C2)C1	REAL300013861186	1	53	0.0	-66.60	384.58	8.14	-58.46
C[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C(C2=CC=CC=C2)C1	REAL300013861186	1	53	0.0	-69.26	377.44	7.53	-61.73
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861194	0	55	0.0	-63.84	415.37	9.12	-54.72
C[NH+](C)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013861196	0	52	0.0	-71.20	396.25	6.52	-64.68
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCOCC1	REAL300013861215	0	57	0.0	-60.00	402.37	6.67	-53.33
O=C([O-])C1(CNC(=O)N2CCN(C3=CC=[NH+]C=C3)CC2)CCOCC1	REAL300013861236	0	49	0.0	-67.73	361.93	4.69	-63.04
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCCCC2)CCOCC1	REAL300013861241	0	52	0.0	-65.18	379.08	5.57	-59.61
CC1CC[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861243	0	55	0.0	-65.99	399.47	6.15	-59.84
C[N@H+](CCCNC(=O)NCC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300013861247	0	55	0.0	-69.01	414.09	7.29	-61.72
C[N@@H+](CCCNC(=O)NCC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300013861247	1	55	0.0	-68.90	414.15	7.28	-61.62
CC[NH+](CC)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013861260	0	58	0.0	-68.95	426.15	7.55	-61.40
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861265	0	58	0.0	-60.75	421.18	7.81	-52.94
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCOCC1	REAL300013861266	0	59	0.0	-69.76	437.52	8.32	-61.44
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCOCC1	REAL300013861300	0	56	0.0	-61.66	415.30	7.89	-53.77
O=C([O-])C1(CNC(=O)N2CC[NH+](CCC3=CC=CC=C3)CC2)CCOCC1	REAL300013861340	1	56	0.0	-66.79	412.88	9.31	-57.48
O=C([O-])C1(CNC(=O)N2CCC[N@H+](CC3=CC=CC=C3)CC2)CCOCC1	REAL300013861344	0	56	0.0	-68.15	404.65	9.69	-58.46
O=C([O-])C1(CNC(=O)N2CCC[N@@H+](CC3=CC=CC=C3)CC2)CCOCC1	REAL300013861344	1	56	0.0	-59.27	404.39	9.76	-49.51
CC1=CC=C(C[N@@H+]2CCCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)C=C1	REAL300013861345	0	59	0.0	-59.49	425.72	10.42	-49.07
CC1=CC=C(C[N@H+]2CCCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)C=C1	REAL300013861345	1	59	0.0	-68.15	426.13	10.39	-57.76
COCC[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861350	1	50	0.0	-59.96	364.09	4.70	-55.26
O=C([O-])C1(CNC(=O)N2CCC[N@H+](CC3=CC=C(F)C=C3)CC2)CCOCC1	REAL300013861358	1	56	0.0	-74.01	411.11	9.76	-64.25
O=C([O-])C1(CNC(=O)N2CCC[N@@H+](CC3=CC=C(F)C=C3)CC2)CCOCC1	REAL300013861358	1	56	0.0	-64.40	410.79	9.78	-54.62
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCOCC1	REAL300013861372	1	53	0.0	-60.95	400.46	3.12	-57.83
CC1C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC(C)O1	REAL300013861374	1	59	0.0	-58.47	408.52	4.93	-53.54
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CCOCC1	REAL300013861394	0	50	0.0	-61.91	364.92	5.19	-56.72
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCOCC3)C=N2)CC1	REAL300013861398	0	57	0.0	-69.11	428.79	4.90	-64.21
CC1C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC(C)O1	REAL300013861406	0	56	0.0	-67.63	406.02	4.62	-63.01
CC(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861410	0	55	0.0	-63.27	396.53	6.07	-57.20
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCOCC1	REAL300013861415	1	56	0.0	-60.08	388.75	4.95	-55.13
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCOCC1	REAL300013861416	1	55	0.0	-61.15	409.46	5.59	-55.56
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCOCC1	REAL300013861418	1	52	0.0	-59.37	395.36	4.50	-54.87
CCC(CC)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCOCC1	REAL300013861422	0	62	0.0	-59.84	423.94	6.51	-53.33
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCN(C)CC1	REAL300013861426	0	60	0.0	-59.76	407.42	4.41	-55.35
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)N1CC[NH+](C)CC1	REAL300013861426	1	60	0.0	-68.25	418.92	4.14	-64.11
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)CC(C)C	REAL300013861427	0	60	0.0	-54.18	413.81	7.56	-46.62
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861431	0	56	0.0	-64.29	413.14	8.13	-56.16
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCOCC1	REAL300013861437	0	56	0.0	-57.54	415.18	7.54	-50.00
CC(C)CN(CC[NH+](C)C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861461	0	54	0.0	-61.63	391.54	7.58	-54.05
O=C([O-])C1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCOCC1	REAL300013861464	0	56	0.0	-64.44	386.15	7.68	-56.76
O=C([O-])C1(CNC(=O)N2CC[NH+](C3CCCC3)CC2)CCOCC1	REAL300013861471	0	53	0.0	-60.21	375.15	7.42	-52.79
CC(C)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861472	0	49	0.0	-62.57	348.08	6.07	-56.50
O=C([O-])C1(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CCOCC1	REAL300013861476	0	53	0.0	-65.27	369.23	6.93	-58.34
CC[NH+](CC)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861486	0	48	0.0	-61.63	351.64	4.27	-57.36
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3=CC=CC=C3)CC2)CCOCC1	REAL300013861493	1	53	0.0	-64.41	390.07	8.38	-56.03
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCOCC2)CCOCC1	REAL300013861506	1	50	0.0	-68.15	370.34	3.15	-65.00
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861521	1	62	0.0	-49.71	443.88	8.33	-41.38
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861521	1	62	0.0	-63.90	443.39	8.32	-55.58
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861522	0	59	0.0	-58.49	420.27	10.38	-48.11
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861522	1	59	0.0	-67.05	420.77	10.40	-56.65
O=C([O-])C1(CNC(=O)NC2CC[NH+](CCC3=CC=CC=C3)CC2)CCOCC1	REAL300013861527	0	59	0.0	-68.96	438.13	8.60	-60.36
C[NH+](C)CCN1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861528	0	57	0.0	-70.63	411.17	3.69	-66.94
CN(C)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861528	1	57	0.0	-65.72	411.71	3.58	-62.14
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CCOCC1	REAL300013861529	0	55	0.0	-66.30	411.20	5.90	-60.40
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861530	0	59	0.0	-65.29	431.82	8.40	-56.89
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861532	0	58	0.0	-59.47	425.35	7.74	-51.73
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861532	1	58	0.0	-56.84	421.03	8.25	-48.59
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013861533	0	56	0.0	-70.27	426.14	6.29	-63.98
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013861534	0	56	0.0	-70.99	426.14	6.29	-64.70
CC1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCOCC3)C=[NH+]2)CC1	REAL300013861539	1	58	0.0	-55.53	431.22	5.99	-49.54
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCOCC1	REAL300013861540	1	52	0.0	-54.49	395.32	4.48	-50.01
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCOCC1	REAL300013861541	1	53	0.0	-62.93	400.50	3.15	-59.78
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)CCOCC1	REAL300013861545	0	56	0.0	-66.07	415.58	7.73	-58.34
CC[NH+](CC)CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861570	0	51	0.0	-64.69	373.14	5.05	-59.64
CCN(CC)C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=[NH+]1	REAL300013861586	1	54	0.0	-57.59	411.38	6.68	-50.91
C[NH+]1CCN(C2=CC(CNC(=O)NCC3(C(=O)[O-])CCOCC3)=CC=N2)CC1	REAL300013861587	0	57	0.0	-68.21	427.84	5.10	-63.11
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCOCC1	REAL300013861588	1	58	0.0	-54.74	421.77	5.74	-49.00
CC1CN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCOCC3)C=[NH+]2)CCO1	REAL300013861589	1	56	0.0	-60.98	421.40	3.67	-57.31
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCOCC1	REAL300013861590	1	55	0.0	-57.24	409.14	5.40	-51.84
O=C([O-])C1(CNC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCOCC1	REAL300013861614	1	53	0.0	-63.95	403.15	3.43	-60.52
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCOCC1	REAL300013861615	0	56	0.0	-67.32	421.52	7.43	-59.89
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013861616	0	58	0.0	-66.48	433.44	7.70	-58.78
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861627	0	58	0.0	-64.53	436.78	10.07	-54.46
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861628	0	56	0.0	-68.40	436.18	9.53	-58.87
C[NH+]1CCN(C(=O)CCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861668	1	53	0.0	-81.15	395.67	3.76	-77.39
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CSC=C1	REAL300013861671	0	55	0.0	-55.58	405.09	7.35	-48.23
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCC(C)CC1	REAL300013861672	0	61	0.0	-59.69	422.34	7.92	-51.77
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300013861674	0	61	0.0	-53.35	428.16	8.07	-45.28
CC[NH+](CC)C(C)CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861675	0	51	0.0	-59.10	361.72	4.84	-54.26
O=C([O-])C1(CNC(=O)NCC[N@@H+]2CCC3=CC=CC=C3C2)CCOCC1	REAL300013861676	0	53	0.0	-66.60	395.80	6.91	-59.69
O=C([O-])C1(CNC(=O)NCC[N@H+]2CCC3=CC=CC=C3C2)CCOCC1	REAL300013861676	1	53	0.0	-66.62	395.78	6.93	-59.69
CN(C)C1=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=CC=[NH+]1	REAL300013861678	0	48	0.0	-56.61	369.68	4.57	-52.04
CN(C)C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=[NH+]1	REAL300013861679	1	48	0.0	-54.92	369.64	4.55	-50.37
CCC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013861680	0	59	0.0	-61.47	422.60	8.87	-52.60
CCC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013861680	1	59	0.0	-60.90	421.39	8.91	-51.99
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCCCC1	REAL300013861681	0	58	0.0	-60.83	398.06	8.01	-52.82
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CSC=C1	REAL300013861683	0	49	0.0	-62.90	378.35	5.47	-57.43
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+]1CCCC(C)C1	REAL300013861684	0	55	0.0	-57.41	383.74	6.34	-51.07
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+]1CCCC(C)C1	REAL300013861684	1	55	0.0	-58.93	382.36	6.04	-52.89
CC1CC[NH+](CCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861685	0	52	0.0	-62.96	377.97	5.35	-57.61
C[N@H+](CCCNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCCCC1	REAL300013861686	0	58	0.0	-66.11	413.48	6.72	-59.39
C[N@@H+](CCCNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCCCC1	REAL300013861686	1	58	0.0	-65.73	413.48	6.73	-59.00
CC1CC(C)C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013861688	0	58	0.0	-65.68	420.76	6.76	-58.92
O=C([O-])C1(CNC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)CCOCC1	REAL300013861689	0	56	0.0	-69.84	417.27	7.69	-62.15
O=C([O-])C1(CNC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)CCOCC1	REAL300013861689	1	56	0.0	-68.84	415.65	7.74	-61.10
CC(C[NH+]1CCCCC1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861691	0	52	0.0	-58.68	375.73	5.97	-52.71
O=C([O-])C1(CNC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)CCOCC1	REAL300013861692	0	56	0.0	-56.66	419.33	8.57	-48.09
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300013861695	0	52	0.0	-57.06	384.53	7.50	-49.56
CC(C)[NH+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)C	REAL300013861696	0	54	0.0	-59.17	376.52	4.89	-54.28
O=C([O-])C1(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCOCC1	REAL300013861720	0	57	0.0	-73.11	401.58	6.53	-66.58
C[NH+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861721	0	52	0.0	-70.60	370.29	7.01	-63.59
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCCCC1	REAL300013861767	0	55	0.0	-63.99	371.29	6.38	-57.61
CC1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861768	0	58	0.0	-67.44	420.96	6.94	-60.50
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861769	0	58	0.0	-64.85	417.25	6.82	-58.03
CC1CCCC[N@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013861769	1	58	0.0	-65.39	410.49	6.50	-58.89
CC1CCC[N@H+](CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013861770	0	58	0.0	-66.90	421.41	6.92	-59.98
CC1CCC[N@@H+](CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013861770	1	58	0.0	-66.86	421.42	6.93	-59.93
CCN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861771	0	60	0.0	-67.70	435.18	4.57	-63.13
CC[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861771	1	60	0.0	-65.86	435.67	4.35	-61.51
CC1CC(C)C[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013861773	0	61	0.0	-67.14	442.25	7.53	-59.61
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861792	1	59	0.0	-68.38	438.42	3.98	-64.40
C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013861793	1	60	0.0	-87.06	427.63	6.77	-80.29
C=CC[NH+](CC=C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)C	REAL300013861807	0	59	0.0	-57.67	418.71	7.68	-49.99
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCOCC1	REAL300013861809	0	62	0.0	-55.89	411.70	8.24	-47.65
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)[NH+](C)C)C=C1	REAL300013861810	0	56	0.0	-64.08	417.72	5.62	-58.46
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CCOCC1	REAL300013861827	0	56	0.0	-57.19	411.59	6.90	-50.29
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CO1	REAL300013861828	1	49	0.0	-58.73	365.86	4.69	-54.04
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOCC1	REAL300013861832	0	60	0.0	-59.36	402.75	5.89	-53.47
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CS1	REAL300013861838	0	49	0.0	-57.44	372.31	5.33	-52.11
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCCC1	REAL300013861839	0	52	0.0	-61.81	365.62	5.31	-56.50
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCOCC1	REAL300013861872	0	53	0.0	-55.95	392.27	5.66	-50.29
CC(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861873	0	52	0.0	-62.15	370.72	4.94	-57.21
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCCCC1	REAL300013861881	0	55	0.0	-52.80	383.10	5.72	-47.08
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300013861889	0	55	0.0	-62.33	400.38	7.89	-54.44
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CC(F)=C1	REAL300013861892	0	52	0.0	-67.59	393.65	6.58	-61.01
CCC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)[NH+](C)C)C=C1	REAL300013861893	0	58	0.0	-62.81	430.14	7.96	-54.85
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300013861895	0	58	0.0	-55.31	417.45	7.13	-48.18
O=C([O-])C1(CNC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCOCC1	REAL300013861896	0	53	0.0	-57.96	396.85	6.35	-51.61
CC(C)C[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861920	0	52	0.0	-61.24	370.44	6.95	-54.29
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013861924	0	53	0.0	-66.98	399.17	7.12	-59.86
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013861924	1	53	0.0	-65.52	401.87	6.93	-58.59
CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861927	0	49	0.0	-63.40	357.71	4.65	-58.75
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3CCCO3)CC2)CCOCC1	REAL300013861930	1	54	0.0	-57.50	387.51	5.95	-51.55
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1Cl	REAL300013861936	1	52	0.0	-63.20	395.66	7.23	-55.97
CC1=CC=CC(C[NH+]2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)=C1	REAL300013861938	1	56	0.0	-64.08	412.43	8.88	-55.20
CC1=CC=CC=C1C[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013861947	1	56	0.0	-66.89	406.38	9.11	-57.78
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013861964	0	52	0.0	-68.93	397.26	6.33	-62.60
O=C([O-])C1(CNC(=O)NC2CC[N@@H+]3CCCC3C2)CCOCC1	REAL300013861975	0	50	0.0	-62.48	360.66	5.29	-57.19
O=C([O-])C1(CNC(=O)NC2CC[N@H+]3CCCC3C2)CCOCC1	REAL300013861975	1	50	0.0	-59.47	358.74	5.50	-53.97
O=C([O-])C1(CNC(=O)NCC2CC[N@@H+](C3CC3)C2)CCOCC1	REAL300013861985	0	50	0.0	-63.88	372.93	5.44	-58.44
O=C([O-])C1(CNC(=O)NCC2CC[N@H+](C3CC3)C2)CCOCC1	REAL300013861985	1	50	0.0	-63.73	372.64	5.49	-58.24
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCOCC2)CCCCCC1	REAL300013862003	0	58	0.0	-62.71	384.19	6.45	-56.26
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862016	0	58	0.0	-63.68	426.95	9.16	-54.52
COCC[N@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862027	0	52	0.0	-63.99	388.75	3.35	-60.64
COCC[N@@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862027	1	52	0.0	-65.58	387.77	3.55	-62.03
CC[NH+](CC)CCN(CC(C)C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862038	0	60	0.0	-63.28	421.75	8.44	-54.84
CC(C)CC(C[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862040	0	54	0.0	-59.76	391.66	5.97	-53.79
CN(CC1CCC[N@@H+]1C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862052	0	49	0.0	-63.62	348.11	5.88	-57.74
CN(CC1CCC[N@H+]1C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862052	1	49	0.0	-65.01	347.75	5.89	-59.12
C[NH+](C)C1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862058	0	52	0.0	-63.45	369.04	5.74	-57.71
COCC(C)(C)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862075	0	56	0.0	-61.99	392.35	5.45	-56.54
O=C([O-])C1(CNC(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)CCOCC1	REAL300013862101	0	57	0.0	-68.39	417.91	9.16	-59.23
O=C([O-])C1(CNC(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)CCOCC1	REAL300013862101	1	57	0.0	-66.89	414.43	8.82	-58.07
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)N1C[C@@H](C)O[C@@H](C)C1	REAL300013862123	0	56	0.0	-60.70	401.66	4.49	-56.21
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013862123	1	56	0.0	-59.54	400.59	4.28	-55.26
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013862123	1	56	0.0	-59.54	400.59	4.28	-55.26
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862124	0	49	0.0	-65.15	365.21	4.86	-60.29
CCC(C)(C)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862134	0	55	0.0	-61.13	374.97	6.73	-54.40
O=C([O-])C1(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCOCC1	REAL300013862142	0	48	0.0	-63.26	343.21	2.39	-60.87
O=C([O-])C1(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCOCC1	REAL300013862142	1	48	0.0	-63.26	343.21	2.39	-60.87
CC(C)C[N@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862144	0	54	0.0	-65.98	394.30	5.79	-60.19
CC(C)C[N@@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862144	1	54	0.0	-65.98	394.30	5.79	-60.19
CC[N@H+](CCCNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCCCC1	REAL300013862169	0	61	0.0	-64.83	427.16	7.09	-57.74
CC[N@@H+](CCCNC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCCCC1	REAL300013862169	1	61	0.0	-64.83	427.16	7.09	-57.74
CN1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C(CC2=CC=CC=C2)C1	REAL300013862170	0	56	0.0	-73.56	409.32	9.49	-64.07
C[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C(CC2=CC=CC=C2)C1	REAL300013862170	1	56	0.0	-74.31	408.07	9.75	-64.56
C[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C(CC2=CC=CC=C2)C1	REAL300013862170	1	56	0.0	-74.31	408.07	9.75	-64.56
O=C([O-])C1(CNC(=O)NC2CCC[N@@H+]3CCCCC23)CCOCC1	REAL300013862195	0	53	0.0	-64.19	378.79	6.13	-58.06
O=C([O-])C1(CNC(=O)NC2CCC[N@H+]3CCCCC23)CCOCC1	REAL300013862195	1	53	0.0	-64.19	378.79	6.13	-58.06
CN(CC[NH+]1CCCCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862199	0	52	0.0	-57.99	374.48	7.13	-50.86
O=C([O-])C1(CNC(=O)N2CCN(CC3=CC=CC=C3)CC2)CCOCC1	REAL300013862211	0	53	0.0	-64.41	390.07	8.38	-56.03
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3=CC=CC=C3)CC2)CCOCC1	REAL300013862211	1	53	0.0	-64.41	390.07	8.38	-56.03
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862268	0	55	0.0	-74.75	411.73	6.10	-68.65
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862274	0	59	0.0	-70.43	439.72	9.44	-60.99
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862274	1	59	0.0	-70.43	439.72	9.44	-60.99
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CCOCC1	REAL300013862277	0	58	0.0	-75.57	430.13	6.61	-68.96
O=C([O-])C1(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCOCC1	REAL300013862300	0	60	0.0	-65.82	427.18	5.30	-60.52
CC(C)(C)[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862317	0	52	0.0	-56.63	369.34	4.90	-51.73
CC(C)(C)[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862317	1	52	0.0	-56.63	369.34	4.90	-51.73
O=C([O-])C1(CNC(=O)NCC2=CC=CN=C2N2CCCC2)CCOCC1	REAL300013862328	0	52	0.0	-60.99	382.58	5.73	-55.26
O=C([O-])C1(CNC(=O)NCC2=CC=C[NH+]=C2N2CCCC2)CCOCC1	REAL300013862328	1	52	0.0	-60.99	382.58	5.73	-55.26
C[N@@H+]1CCCC1CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862357	0	49	0.0	-65.39	355.62	4.34	-61.05
C[N@H+]1CCCC1CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862357	1	49	0.0	-65.39	355.62	4.34	-61.05
CC(C[NH+]1CCC(C)CC1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862361	0	55	0.0	-61.40	397.84	6.36	-55.04
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](C3CCCCC3)C2)CCOCC1	REAL300013862448	0	56	0.0	-62.74	399.27	6.43	-56.31
O=C([O-])C1(CNC(=O)NC2CC[N@H+](C3CCCCC3)C2)CCOCC1	REAL300013862448	1	56	0.0	-62.74	399.27	6.43	-56.31
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)CCOCC1	REAL300013862475	0	56	0.0	-64.65	409.14	6.88	-57.77
C[NH+](C)CCCC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1	REAL300013862482	0	56	0.0	-65.71	407.27	6.06	-59.65
CCC[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862494	0	49	0.0	-63.95	361.57	4.91	-59.04
CCC[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862494	1	49	0.0	-63.95	361.57	4.91	-59.04
O=C([O-])C1(CNC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CCOCC1	REAL300013862496	0	58	0.0	-64.70	409.76	4.93	-59.77
O=C([O-])C1(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCOCC1	REAL300013862496	1	58	0.0	-64.70	409.76	4.93	-59.77
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCOC3)CC2)CCOCC1	REAL300013862503	0	54	0.0	-66.02	391.22	3.96	-62.06
CC(C)[NH+]1CCC(CCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862576	0	58	0.0	-66.12	409.86	6.36	-59.76
O=C([O-])C1(CNC(=O)NCC2=CC=NC(N3CCSCC3)=C2)CCOCC1	REAL300013862585	0	53	0.0	-64.12	410.26	5.21	-58.91
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CCOCC1	REAL300013862585	1	53	0.0	-64.12	410.26	5.21	-58.91
O=C([O-])C1(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)CCOCC1	REAL300013862609	0	47	0.0	-64.36	353.01	0.71	-63.65
CCC1([NH+](C)C)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862634	0	55	0.0	-64.07	362.03	6.66	-57.41
CC1([NH+]2CCCC2)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862649	0	56	0.0	-60.14	380.14	7.16	-52.98
CCC1([NH+]2CCCC2)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862657	0	59	0.0	-58.46	394.80	7.89	-50.57
O=C([O-])C1(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CCOCC1	REAL300013862662	0	47	0.0	-64.46	352.33	0.66	-63.80
COCCN(CC1CC[NH+](C)CC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862668	0	59	0.0	-56.63	426.26	6.76	-49.87
C[NH+]1CCC2(CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013862671	0	56	0.0	-70.90	381.39	7.41	-63.49
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862679	0	53	0.0	-66.51	382.38	2.80	-63.71
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013862679	1	53	0.0	-66.51	382.38	2.80	-63.71
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862691	0	59	0.0	-67.96	441.12	8.28	-59.68
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862691	1	59	0.0	-67.96	441.12	8.28	-59.68
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CCOCC3)C=N2)CC1	REAL300013862717	0	53	0.0	-78.38	394.55	5.34	-73.04
O=C([O-])C1(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC2=CC=CC=C2)CCOCC1	REAL300013862788	0	59	0.0	-61.34	424.54	7.93	-53.41
O=C([O-])C1(CNC(=O)NC[C@H]2CCCC[N@H+]2CC2=CC=CC=C2)CCOCC1	REAL300013862788	1	59	0.0	-61.34	424.54	7.93	-53.41
C[N@@H+]1CCC2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)CCC21	REAL300013862789	0	50	0.0	-63.77	353.61	5.91	-57.86
C[N@H+]1CCC2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)CCC21	REAL300013862789	1	50	0.0	-63.77	353.61	5.91	-57.86
O=C([O-])C1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC2=CC=CC=C2)CCOCC1	REAL300013862797	0	59	0.0	-60.45	428.49	8.62	-51.83
O=C([O-])C1(CNC(=O)NC[C@@H]2CCCC[N@H+]2CC2=CC=CC=C2)CCOCC1	REAL300013862797	1	59	0.0	-60.45	428.49	8.62	-51.83
CN1CC[NH+](C2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013862799	0	58	0.0	-69.30	406.30	5.51	-63.79
C[NH+]1CCN(C2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013862799	1	58	0.0	-69.30	406.30	5.51	-63.79
CN1CC2=CC=CC=C2C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862802	0	50	0.0	-61.54	378.36	6.39	-55.15
C[N@@H+]1CC2=CC=CC=C2C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862802	1	50	0.0	-57.28	378.10	6.47	-50.81
C[N@H+]1CC2=CC=CC=C2C1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862802	1	50	0.0	-57.28	378.10	6.47	-50.81
CC(C)[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1C	REAL300013862808	0	52	0.0	-61.53	359.26	6.24	-55.29
C[NH+](C)C1(C)CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862818	0	55	0.0	-66.58	374.23	5.76	-60.82
CC1=CC=C(C[N@@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CCOCC3)C2)C=C1	REAL300013862833	0	56	0.0	-64.86	420.85	7.44	-57.42
CC1=CC=C(C[N@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CCOCC3)C2)C=C1	REAL300013862833	1	56	0.0	-64.86	420.85	7.44	-57.42
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862851	0	61	0.0	-58.70	423.66	9.04	-49.66
CN1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC2=CC=CN=C21	REAL300013862865	0	49	0.0	-57.78	361.13	5.58	-52.20
CN1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC2=CC=C[NH+]=C21	REAL300013862865	1	49	0.0	-57.78	361.13	5.58	-52.20
CN(CCCC[NH+]1CCCCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013862886	0	58	0.0	-63.55	417.48	8.69	-54.86
O=C([O-])C1(CNC(=O)NC2CCC[N@H+](CCN3CCOCC3)C2)CCOCC1	REAL300013862888	0	62	0.0	-69.90	445.05	3.26	-66.64
CCC1=CC=C(CN2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)C=C1	REAL300013862907	0	59	0.0	-62.40	433.18	9.91	-52.49
CCC1=CC=C(C[NH+]2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)C=C1	REAL300013862907	1	59	0.0	-62.40	433.18	9.91	-52.49
CC(C1=CC=CC=C1)N1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862913	0	56	0.0	-63.34	405.24	9.09	-54.25
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862913	1	56	0.0	-63.34	405.24	9.09	-54.25
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862914	0	60	0.0	-69.83	408.69	4.18	-65.65
CCC1([NH+]2CCCCC2)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013862921	0	62	0.0	-60.49	408.95	8.51	-51.98
C[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1(C)C	REAL300013862933	0	49	0.0	-64.34	342.04	5.91	-58.43
C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)C[C@H](C)O1	REAL300013862938	0	63	0.0	-73.57	445.57	7.97	-65.60
C[C@@H]1C[N@H+](CC2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)C[C@H](C)O1	REAL300013862938	1	63	0.0	-73.57	445.57	7.97	-65.60
CC1([NH+]2CCCCC2)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013863015	0	59	0.0	-59.52	395.57	7.87	-51.65
CCOC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C[NH+](C)C	REAL300013863051	0	52	0.0	-68.83	388.23	3.79	-65.04
CC[N@@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCOCC1	REAL300013863091	0	56	0.0	-65.21	391.85	6.08	-59.13
CC[N@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCOCC1	REAL300013863091	1	56	0.0	-56.50	391.53	6.13	-50.37
C[N@@H+]1CC(O)CC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863097	0	47	0.0	-63.58	347.03	0.81	-62.77
C[N@H+]1CC(O)CC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863097	1	47	0.0	-64.27	345.99	0.26	-64.01
O=C([O-])C1(CNC(=O)NC2CCC[N@@H+]3CCSCC23)CCOCC1	REAL300013863102	0	51	0.0	-68.48	378.19	5.84	-62.64
O=C([O-])C1(CNC(=O)NC2CCC[N@H+]3CCSCC23)CCOCC1	REAL300013863102	1	51	0.0	-68.12	378.24	5.85	-62.27
CN(C)C1=CC=[NH+]C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300013863135	0	48	0.0	-53.27	368.88	3.44	-49.83
CC1([NH+]2CCCC2)CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013863164	0	59	0.0	-65.10	405.29	6.49	-58.61
CCC1([NH+]2CCC2)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013863169	0	56	0.0	-61.47	380.89	7.32	-54.15
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863188	0	52	0.0	-66.68	381.98	5.25	-61.43
C[NH+](C)CCC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CN=C1	REAL300013863207	0	54	0.0	-63.46	410.83	6.18	-57.28
CC1=CC=C(NCCNC(=O)NCC2(C(=O)[O-])CCOCC2)[NH+]=C1	REAL300013863234	1	48	0.0	-58.49	373.43	3.58	-54.91
CC1=CC=CC(NCCNC(=O)NCC2(C(=O)[O-])CCOCC2)=[NH+]1	REAL300013863235	1	48	0.0	-58.94	372.38	3.71	-55.23
CC(C)CC1C[N@H+](C)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863249	0	55	0.0	-68.42	385.26	7.26	-61.16
CC(C)CC1C[N@@H+](C)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863249	1	55	0.0	-69.05	384.67	7.89	-61.16
C[N@@H+]1C[C@@H]2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)C[C@]2(C)C1	REAL300013863282	0	50	0.0	-72.56	360.04	5.98	-66.58
C[N@H+]1C[C@@H]2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)C[C@]2(C)C1	REAL300013863282	1	50	0.0	-70.72	359.61	5.98	-64.74
CC1([NH+]2CCC2)CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013863366	0	56	0.0	-66.09	390.43	5.83	-60.26
CC[NH+](CC)CC(CC)(CC)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863369	0	60	0.0	-56.41	392.59	8.07	-48.34
C[N@@H+]1CC2CCC(NC(=O)NCC3(C(=O)[O-])CCOCC3)CC2C1	REAL300013863405	0	53	0.0	-71.86	382.29	5.68	-66.18
C[N@H+]1CC2CCC(NC(=O)NCC3(C(=O)[O-])CCOCC3)CC2C1	REAL300013863405	1	53	0.0	-70.31	382.29	5.71	-64.60
C[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863440	0	49	0.0	-56.11	352.20	5.07	-51.04
C[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863440	1	49	0.0	-55.25	348.98	4.36	-50.89
CC[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1(C)C	REAL300013863470	0	52	0.0	-61.54	359.74	6.56	-54.98
CC[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1(C)C	REAL300013863470	1	52	0.0	-57.67	359.67	6.56	-51.11
CC1([NH+]2CCOCC2)CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013863489	0	60	0.0	-63.89	407.14	5.16	-58.73
O=C([O-])C1(CNC(=O)N2CCC3C2CCC[N@H+]3CCO)CCOCC1	REAL300013863499	0	54	0.0	-67.87	373.71	3.33	-64.54
O=C([O-])C1(CNC(=O)N2CCC3C2CCC[N@@H+]3CCO)CCOCC1	REAL300013863499	1	54	0.0	-64.85	375.36	2.99	-61.86
CN(CC(C)(C)C[NH+](C)C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863501	0	54	0.0	-65.12	371.88	6.82	-58.30
CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863505	0	54	0.0	-56.81	381.79	5.79	-51.02
CN(C)C1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)[NH+](C)C)C=C1	REAL300013863525	0	60	0.0	-64.56	439.42	6.74	-57.82
CC1(C)CC[N@H+](CCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013863564	0	52	0.0	-62.35	381.38	5.17	-57.18
CC1(C)CC[N@@H+](CCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013863564	1	52	0.0	-58.66	381.07	5.14	-53.52
C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013863591	1	56	0.0	-63.45	402.59	9.06	-54.39
C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013863591	1	56	0.0	-57.63	406.91	8.90	-48.73
CCC(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013863592	0	55	0.0	-63.14	388.23	5.91	-57.23
C[NH+](C)C1CCC2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2C1	REAL300013863629	0	56	0.0	-71.41	397.81	7.23	-64.18
CCN1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+](CC)CC1	REAL300013863650	0	60	0.0	-62.87	399.13	5.59	-57.28
CCN1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+](CC)CC1	REAL300013863650	1	60	0.0	-56.85	400.09	5.47	-51.38
O=C([O-])C1(CNC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCOCC1	REAL300013863665	0	52	0.0	-67.80	387.07	3.94	-63.86
CCC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+](C)C1	REAL300013863681	0	52	0.0	-61.27	366.49	7.25	-54.02
CCC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+](C)C1	REAL300013863681	1	52	0.0	-54.16	364.89	6.75	-47.41
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013863682	0	63	0.0	-58.35	433.27	4.55	-53.80
O=C([O-])C1(CNC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCOCC1	REAL300013863688	0	52	0.0	-61.21	375.75	3.47	-57.74
O=C([O-])C1(CNC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCOCC1	REAL300013863688	1	52	0.0	-66.91	379.62	3.65	-63.26
CC[NH+](CC)CCC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300013863689	0	61	0.0	-66.26	451.82	9.27	-56.99
CC(CC1CCCC[N@@H+]1C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863701	0	55	0.0	-61.62	386.95	6.11	-55.51
CC(CC1CCCC[N@H+]1C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863701	1	55	0.0	-62.24	393.91	6.05	-56.19
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013863704	0	53	0.0	-69.34	406.68	5.47	-63.87
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)C[C@@H]21	REAL300013863711	0	51	0.0	-65.51	365.97	2.60	-62.91
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)C[C@@H]21	REAL300013863711	1	51	0.0	-64.26	361.09	3.10	-61.16
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)NCC1(C(=O)[O-])CCOCC1)CC2	REAL300013863720	1	52	0.0	-63.01	383.89	6.52	-56.49
CN(CCC[NH+]1CCOCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863721	1	53	0.0	-63.68	387.97	5.53	-58.15
COC(=O)[C@]12CN(C(=O)NCC3(C(=O)[O-])CCOCC3)C[C@H]1C[N@H+](C)CC2	REAL300013863730	0	56	0.0	-68.25	409.85	6.99	-61.26
COC(=O)[C@]12CN(C(=O)NCC3(C(=O)[O-])CCOCC3)C[C@H]1C[N@@H+](C)CC2	REAL300013863730	1	56	0.0	-81.97	409.70	6.71	-75.26
CN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CC[NH+](C(C)(C)C)CC1	REAL300013863751	0	58	0.0	-61.38	399.84	7.44	-53.94
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCCC2)CCOCC1	REAL300013863757	0	49	0.0	-65.24	363.41	4.87	-60.37
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CCCO3)CC2)CCOCC1	REAL300013863763	0	57	0.0	-64.39	412.79	5.23	-59.16
O=C([O-])C1(CNC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCOCC1	REAL300013863772	1	58	0.0	-67.14	426.38	5.70	-61.44
O=C([O-])C1(CNC(=O)NCC[NH+]2CC3=CC=CC=C3C2)CCOCC1	REAL300013863791	1	50	0.0	-64.07	381.89	6.03	-58.04
CC1(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013863801	0	56	0.0	-66.52	414.40	7.40	-59.12
CC1(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013863801	1	56	0.0	-68.26	413.73	7.33	-60.93
CN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CCC[N@H+](C)C1	REAL300013863824	0	49	0.0	-48.79	341.83	6.10	-42.69
CN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CCC[N@@H+](C)C1	REAL300013863824	1	49	0.0	-66.73	341.55	6.62	-60.11
O=C([O-])C1(CNC(=O)N2CC[NH+](C3CCCC3O)CC2)CCOCC1	REAL300013863830	0	54	0.0	-61.02	383.85	4.15	-56.87
CC1C[N@H+](CC2CN(C)CCO2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863847	1	62	0.0	-64.18	438.15	4.90	-59.28
CC1C[N@@H+](CC2CN(C)CCO2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863847	1	62	0.0	-58.05	438.21	4.87	-53.18
CC1CN(CC2C[N@H+](C)CCO2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863847	1	62	0.0	-68.64	422.90	4.45	-64.19
CC1CN(CC2C[N@@H+](C)CCO2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863847	1	62	0.0	-68.08	424.58	4.46	-63.62
CC[N@@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013863849	1	50	0.0	-66.73	369.97	3.15	-63.58
CC[N@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013863849	1	50	0.0	-61.35	362.45	3.01	-58.34
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C[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)(C2=CC=CC=C2)CC1	REAL300013863856	0	59	0.0	-64.51	422.98	7.89	-56.62
CC(CCNC(=O)NCC1(C(=O)[O-])CCOCC1)[NH+](C)C	REAL300013863857	0	48	0.0	-63.41	346.93	4.05	-59.36
C[NH+](C)C1CCCCC1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863860	0	52	0.0	-62.72	367.96	5.19	-57.53
O=C([O-])C1(CNC(=O)N2CCC([N@@H+]3CCC(O)C3)CC2)CCOCC1	REAL300013863887	0	54	0.0	-69.12	386.12	3.87	-65.25
O=C([O-])C1(CNC(=O)N2CCC([N@H+]3CCC(O)C3)CC2)CCOCC1	REAL300013863887	1	54	0.0	-68.65	385.06	3.76	-64.89
C[N@H+]1C[C@H]2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)C[C@H]2C1	REAL300013863910	0	47	0.0	-71.13	340.47	5.52	-65.61
C[N@@H+]1C[C@H]2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)C[C@H]2C1	REAL300013863910	1	47	0.0	-70.11	340.58	5.48	-64.63
CC1C[N@@H+]2CCCCC2CN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863928	0	53	0.0	-61.28	371.27	7.08	-54.20
CC1C[N@H+]2CCCCC2CN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863928	1	53	0.0	-60.63	371.52	7.32	-53.31
O=C([O-])C1(CNC(=O)N2CCCC([NH+]3CCOCC3)CC2)CCOCC1	REAL300013863956	0	57	0.0	-60.73	391.93	6.41	-54.32
CC1CC[N@H+](CCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013863964	0	49	0.0	-61.35	360.10	4.71	-56.64
CC1CC[N@@H+](CCNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013863964	1	49	0.0	-62.50	361.65	4.67	-57.83
CC1CCC[N@@H+]1CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863965	0	49	0.0	-60.40	360.99	4.64	-55.76
CC1CCC[N@H+]1CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863965	1	49	0.0	-60.60	361.70	4.72	-55.88
CC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013863967	1	56	0.0	-61.56	402.65	9.08	-52.48
CC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013863967	1	56	0.0	-62.34	403.60	8.89	-53.45
CC[NH+](CC)CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013863968	0	55	0.0	-65.81	394.47	7.20	-58.61
COCC(COC)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013863979	1	57	0.0	-56.79	409.56	5.66	-51.13
CN(CCC[NH+](C)C)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013863990	0	56	0.0	-69.92	410.86	3.31	-66.61
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013863991	1	50	0.0	-69.33	370.10	5.94	-63.39
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013863991	1	50	0.0	-75.38	370.14	5.92	-69.46
O=C([O-])C1(CNC(=O)N2CC[NH+](CCC3=CC=C(F)C=C3)CC2)CCOCC1	REAL300013863994	1	56	0.0	-71.45	419.28	9.40	-62.05
CCN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CC[N@H+](CC)C1	REAL300013864022	0	52	0.0	-53.70	371.52	7.14	-46.56
CCN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CC[N@@H+](CC)C1	REAL300013864022	1	52	0.0	-57.79	371.73	7.15	-50.64
C[NH+](C)CCN1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O	REAL300013864036	0	53	0.0	-72.04	390.13	5.41	-66.63
C[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)(N2CCOCC2)CC1	REAL300013864059	0	62	0.0	-72.06	427.32	2.97	-69.09
CC[NH+]1CCC(N2CCCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013864062	0	64	0.0	-69.94	439.29	7.24	-62.70
CCN1CCC([N@@H+]2CCCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013864062	1	64	0.0	-62.32	434.94	7.11	-55.21
CCN1CCC([N@H+]2CCCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300013864062	1	64	0.0	-52.71	437.65	7.13	-45.58
CCC[N@H+](C)CC(C)(C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864072	0	54	0.0	-59.20	379.68	6.32	-52.88
CCC[N@@H+](C)CC(C)(C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864072	1	54	0.0	-64.47	379.37	6.52	-57.95
O=C([O-])C1(CNC(=O)N2CCCC([NH2+]C3CCOCC3)C2)CCOCC1	REAL300013864082	0	57	0.0	-67.50	404.41	4.65	-62.85
O=C([O-])C1(CNC(=O)NCC2CCC[N@H+](CC3CC3)C2)CCOCC1	REAL300013864093	0	56	0.0	-63.93	403.02	7.03	-56.90
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CCCN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CC[N@H+](C)C1	REAL300013864099	0	52	0.0	-56.06	373.76	7.20	-48.86
CCCN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CC[N@@H+](C)C1	REAL300013864099	1	52	0.0	-60.66	374.97	7.05	-53.61
CCN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CC[N@H+](C)C1	REAL300013864100	0	49	0.0	-55.42	352.13	6.41	-49.01
CCN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CC[N@@H+](C)C1	REAL300013864100	1	49	0.0	-57.98	352.28	6.24	-51.74
COC(=O)C1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+](C)C1	REAL300013864125	0	52	0.0	-61.65	381.51	6.57	-55.08
COC(=O)C1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+](C)C1	REAL300013864125	1	52	0.0	-52.84	379.97	6.15	-46.69
CC(C)[NH+]1CCN(C2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)C2)CC1	REAL300013864130	0	61	0.0	-67.23	427.16	5.43	-61.80
C[N@@H+]1CCCC2C1CCN2C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864155	0	50	0.0	-70.45	346.72	5.60	-64.85
C[N@H+]1CCCC2C1CCN2C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864155	1	50	0.0	-65.24	355.96	6.06	-59.18
C[N@@H+]1CCCCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013864163	0	52	0.0	-67.42	369.31	5.63	-61.79
C[N@H+]1CCCCC(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013864163	1	52	0.0	-64.58	370.37	5.44	-59.14
C[N@@H+]1C[C@@H]2CCCN(C(=O)NCC3(C(=O)[O-])CCOCC3)[C@@H]2C1	REAL300013864164	0	50	0.0	-60.39	352.84	6.23	-54.16
C[N@H+]1C[C@@H]2CCCN(C(=O)NCC3(C(=O)[O-])CCOCC3)[C@@H]2C1	REAL300013864164	1	50	0.0	-60.83	353.01	6.61	-54.22
COCC[N@H+]1[C@H](C)CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@@H]1C	REAL300013864209	0	56	0.0	-61.08	389.67	5.72	-55.36
COCC[N@@H+]1[C@H](C)CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C[C@@H]1C	REAL300013864209	1	56	0.0	-58.21	389.89	5.18	-53.03
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864273	0	53	0.0	-61.88	397.11	5.85	-56.03
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864274	0	59	0.0	-66.64	432.32	4.22	-62.42
O=C([O-])C1(CNC(=O)NCC2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCOCC1	REAL300013864280	0	52	0.0	-68.80	407.46	5.68	-63.12
O=C([O-])C1(CNC(=O)N2CC3=CC=C[NH+]=C3N3C[C@H](O)C[C@H]3C2)CCOCC1	REAL300013864301	1	54	0.0	-61.92	393.00	3.46	-58.46
O=C([O-])C1(CNC(=O)N2CC3=CC=C[NH+]=C3N3CCC[C@@H]3C2)CCOCC1	REAL300013864322	1	53	0.0	-49.42	382.15	6.81	-42.61
O=C([O-])C1(CNC(=O)N2CC3=CC=C[NH+]=C3N3CCC[C@H]3C2)CCOCC1	REAL300013864323	1	53	0.0	-60.50	381.96	6.84	-53.66
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864333	0	53	0.0	-70.77	392.84	1.14	-69.63
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864333	1	53	0.0	-67.70	398.67	1.66	-66.04
C[N@@H+]1C[C@@H](CNC(=O)NCC2(C(=O)[O-])CCOCC2)[C@H](C2=CC=CC=C2)C1	REAL300013864342	0	56	0.0	-64.35	419.12	7.53	-56.82
C[N@H+]1C[C@@H](CNC(=O)NCC2(C(=O)[O-])CCOCC2)[C@H](C2=CC=CC=C2)C1	REAL300013864342	1	56	0.0	-66.93	419.57	7.46	-59.47
C[NH+](C)CC1=C2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)CCN2N=C1	REAL300013864384	0	53	0.0	-63.91	395.10	6.03	-57.88
C[N@@H+]1C[C@@H](O)[C@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013864413	0	44	0.0	-68.18	331.86	0.10	-68.08
C[N@H+]1C[C@@H](O)[C@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013864413	1	44	0.0	-65.44	331.35	0.06	-65.38
C[N@@H+]1CC2CCC(NC(=O)NCC3(C(=O)[O-])CCOCC3)C2C1	REAL300013864422	0	50	0.0	-64.76	362.43	5.02	-59.74
C[N@H+]1CC2CCC(NC(=O)NCC3(C(=O)[O-])CCOCC3)C2C1	REAL300013864422	1	50	0.0	-52.68	358.47	5.88	-46.80
CC1=[NH+]C=C2CN(C(=O)NCC3(C(=O)[O-])CCOCC3)CCN21	REAL300013864453	1	45	0.0	-58.22	336.19	6.06	-52.16
C[NH+]1CC23CN(C(=O)NCC4(C(=O)[O-])CCOCC4)CC2(C1)CCCC3	REAL300013864470	0	57	0.0	-57.84	396.93	7.37	-50.47
C[NH+](C)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300013864518	0	49	0.0	-68.81	387.52	5.82	-62.99
O=C([O-])C1(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCOCC1	REAL300013864581	0	54	0.0	-61.66	384.37	4.26	-57.40
CC[NH+](CC)CCC(C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864589	0	54	0.0	-66.19	388.53	5.78	-60.41
O=C([O-])C1(CNC(=O)N2CCC3CC[N@H+](CC4=CC=CC=C4)C32)CCOCC1	REAL300013864623	0	57	0.0	-48.86	403.91	9.02	-39.84
O=C([O-])C1(CNC(=O)N2CCC3CC[N@@H+](CC4=CC=CC=C4)C32)CCOCC1	REAL300013864623	1	57	0.0	-52.51	404.65	9.29	-43.22
CN(C(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300013864624	0	47	0.0	-71.70	344.06	2.01	-69.69
CN(C(=O)NCC1(C(=O)[O-])CCOCC1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300013864624	1	47	0.0	-72.16	344.26	1.81	-70.35
COC(=O)C1CC([NH+](C)C)CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013864650	0	55	0.0	-67.44	403.11	6.64	-60.80
CC1([NH+]2CCOCC2)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013864656	1	54	0.0	-64.53	381.93	4.86	-59.67
CN(C(=O)NCC1(C(=O)[O-])CCOCC1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300013864666	0	55	0.0	-51.30	400.34	8.94	-42.36
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864670	0	47	0.0	-67.02	353.72	2.47	-64.55
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864670	1	47	0.0	-65.97	353.72	2.45	-63.52
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864678	0	47	0.0	-63.18	338.03	5.65	-57.53
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864678	1	47	0.0	-61.68	340.36	5.87	-55.81
CCC[NH+](CCC)CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864732	0	54	0.0	-63.28	390.16	5.47	-57.81
C[N@@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)[C@@H]1C1=CC=CC=C1	REAL300013864742	0	53	0.0	-65.53	389.35	6.36	-59.17
C[N@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)[C@@H]1C1=CC=CC=C1	REAL300013864742	1	53	0.0	-66.09	397.59	7.07	-59.02
CC[N@H+](C)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013864744	0	49	0.0	-64.38	358.31	5.67	-58.71
CC[N@@H+](C)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013864744	1	49	0.0	-66.48	355.94	5.89	-60.59
CC[N@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013864761	0	55	0.0	-68.11	387.92	7.69	-60.42
CC[N@@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013864761	1	55	0.0	-69.46	388.08	7.68	-61.78
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C2	REAL300013864799	0	53	0.0	-65.96	368.59	5.31	-60.65
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCC1(C(=O)[O-])CCOCC1)C2	REAL300013864799	1	53	0.0	-61.64	366.07	5.38	-56.26
C[N@@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300013864805	1	53	0.0	-68.79	406.04	6.88	-61.91
C[N@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300013864805	1	53	0.0	-68.07	413.85	7.68	-60.39
C[N@@H+]1CCC2=C(C=C(CNC(=O)NCC3(C(=O)[O-])CCOCC3)C(=O)N2)C1	REAL300013864878	0	53	0.0	-94.79	403.02	3.76	-91.03
C[N@H+]1CCC2=C(C=C(CNC(=O)NCC3(C(=O)[O-])CCOCC3)C(=O)N2)C1	REAL300013864878	1	53	0.0	-94.54	403.01	3.76	-90.78
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)NCC1(C(=O)[O-])CCOCC1)C2	REAL300013864885	1	52	0.0	-59.75	383.60	6.67	-53.08
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)NCC1(C(=O)[O-])CCOCC1)C2	REAL300013864911	1	52	0.0	-59.75	383.60	6.67	-53.08
CCC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864913	0	55	0.0	-60.98	386.69	5.77	-55.21
CCC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864913	1	55	0.0	-58.72	385.94	5.91	-52.81
O=C([O-])C1(CNC(=O)N2CCC(NC3=CC=[NH+]C=C3Cl)CC2)CCOCC1	REAL300013864933	1	52	0.0	-69.60	400.91	6.16	-63.44
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013864969	1	54	0.0	-66.66	380.00	5.43	-61.23
CC1=[NH+]C=C(CNC(=O)NCC2(C(=O)[O-])CCOCC2)C(N)=N1	REAL300013864984	1	44	0.0	-56.56	345.74	1.67	-54.89
C[N@@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)[C@@H]1C1=CC=C(F)C=C1	REAL300013865008	0	53	0.0	-69.77	395.72	6.43	-63.34
C[N@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)[C@@H]1C1=CC=C(F)C=C1	REAL300013865008	1	53	0.0	-69.02	403.53	7.22	-61.80
O=C([O-])C1(CNC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCOCC1	REAL300013865038	0	54	0.0	-60.22	386.26	6.16	-54.06
CC1=C[NH+]=CC=C1N1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013865051	0	52	0.0	-67.69	386.65	5.96	-61.73
CCCC1=[NH+]C=CN1CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013865111	1	53	0.0	-61.81	403.17	6.49	-55.32
C=CC[N@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013865132	0	50	0.0	-63.58	360.03	7.40	-56.18
C=CC[N@@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013865132	1	50	0.0	-56.68	358.76	7.38	-49.30
C[NH+]1CC23CCCC2(CN(C(=O)NCC2(C(=O)[O-])CCOCC2)C3)C1	REAL300013865139	0	54	0.0	-76.63	378.81	6.85	-69.78
O=C([O-])C1(CNC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCOCC1	REAL300013865148	0	53	0.0	-59.18	401.68	7.26	-51.92
CC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@@H+]1C1CC1	REAL300013865181	1	50	0.0	-58.72	361.32	6.70	-52.02
CC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[N@H+]1C1CC1	REAL300013865181	1	50	0.0	-61.34	355.10	6.90	-54.44
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013865231	0	50	0.0	-71.86	368.54	3.03	-68.83
C[NH+](C)CCCCCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013865233	0	54	0.0	-68.89	401.93	6.03	-62.86
C[N@@H+]1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC12CCC2	REAL300013865235	0	50	0.0	-56.29	359.94	4.83	-51.46
C[N@H+]1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC12CCC2	REAL300013865235	1	50	0.0	-56.78	362.43	4.89	-51.89
C[NH+](C)C1CCCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013865267	0	52	0.0	-59.54	358.54	6.89	-52.65
O=C([O-])C1(CNC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCOCC1	REAL300013865276	1	54	0.0	-62.19	407.68	7.73	-54.46
C[N@@H+]1C[C@@H]2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)[C@@H]2C1	REAL300013865283	0	47	0.0	-66.29	341.24	5.72	-60.57
C[N@H+]1C[C@@H]2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)[C@@H]2C1	REAL300013865283	1	47	0.0	-66.29	338.47	5.54	-60.75
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013865284	0	47	0.0	-66.19	350.52	2.11	-64.08
O=C([O-])C1(CNC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CCOCC1	REAL300013865300	0	56	0.0	-64.03	400.27	6.67	-57.36
O=C([O-])C1(CNC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CCOCC1	REAL300013865300	1	56	0.0	-62.61	396.38	7.21	-55.40
C[N@@H+]1CC2CC1CC2NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013865318	0	47	0.0	-65.47	341.26	4.49	-60.98
C[N@H+]1CC2CC1CC2NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013865318	1	47	0.0	-66.33	338.67	4.28	-62.05
CCC1=[NH+]C=CN1CC(C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013865336	1	50	0.0	-52.08	384.66	5.93	-46.15
CC[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC12CCOC2	REAL300013865440	1	54	0.0	-62.06	374.88	5.14	-56.92
CC[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC12CCOC2	REAL300013865440	1	54	0.0	-62.85	370.54	4.79	-58.06
O=C([O-])C1(CNC(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)CCOCC1	REAL300013865479	0	51	0.0	-59.16	374.50	3.48	-55.68
CN(C(=O)NCC1(C(=O)[O-])CCOCC1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013865496	0	59	0.0	-66.94	424.38	10.76	-56.18
CN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300013865545	0	52	0.0	-66.63	384.44	4.92	-61.71
CC(C)(C)[N@@H+]1CCCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013865554	0	55	0.0	-58.68	381.86	6.07	-52.61
CC(C)(C)[N@H+]1CCCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013865554	1	55	0.0	-59.61	385.87	5.55	-54.06
CN(C)C1=CC=C(CCNC(=O)NCC2(C(=O)[O-])CCOCC2)C=[NH+]1	REAL300013865601	1	51	0.0	-60.70	390.24	5.55	-55.15
C[N@@H+]1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC12CCCC2	REAL300013865602	0	53	0.0	-61.19	376.94	5.39	-55.80
C[N@H+]1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC12CCCC2	REAL300013865602	1	53	0.0	-54.72	377.71	5.38	-49.34
C[N@@H+]1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC12CCOCC2	REAL300013865643	0	54	0.0	-58.62	381.51	3.49	-55.13
C[N@H+]1CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC12CCOCC2	REAL300013865643	1	54	0.0	-56.52	377.02	3.55	-52.97
O=C([O-])C1(CNC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)CCOCC1	REAL300013865664	1	57	0.0	-53.02	392.09	6.27	-46.75
CC1=CC=C(C[NH+]2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)C=C1	REAL300013865668	1	56	0.0	-62.33	411.70	9.14	-53.19
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013865679	0	53	0.0	-54.81	373.91	3.19	-51.62
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013865679	1	53	0.0	-57.70	370.05	3.71	-53.99
CC(C)[N@H+](C)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013865695	0	55	0.0	-62.79	379.09	6.96	-55.83
CC(C)[N@@H+](C)C1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013865695	1	55	0.0	-62.92	378.35	6.98	-55.94
O=C([O-])C1(CNC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCOCC1	REAL300013865699	0	59	0.0	-61.48	418.08	7.35	-54.13
O=C([O-])C1(CNC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCOCC1	REAL300013865699	1	59	0.0	-62.99	421.27	7.18	-55.81
C[NH+](C)CCC1CN(C(=O)NCC2(C(=O)[O-])CCOCC2)CCO1	REAL300013865710	0	53	0.0	-63.96	385.77	5.27	-58.69
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013865740	1	54	0.0	-58.74	405.86	6.08	-52.66
CN(C)C1=CC=C(C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCOCC2)C=[NH+]1	REAL300013865744	1	57	0.0	-57.77	417.57	6.66	-51.11
O=C([O-])C1(CNC(=O)NCC2CCCC3=[NH+]C=CN32)CCOCC1	REAL300013865763	1	48	0.0	-54.12	357.63	5.76	-48.36
CCCC1=[NH+]C=CN1C1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013865839	1	57	0.0	-57.99	419.95	8.75	-49.24
O=C([O-])C1(CNC(=O)NCC2CCCC3=[NH+]C=CN32)CCOCC1	REAL300013865897	1	48	0.0	-54.12	357.63	5.76	-48.36
C[NH+](C)[C@H]1CCCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013865907	0	52	0.0	-58.45	357.09	6.98	-51.47
CC1(C)CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013865952	0	59	0.0	-58.76	430.06	7.77	-50.99
CC1(C)CC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013865952	1	59	0.0	-61.03	434.72	7.97	-53.06
C[NH+](C)CC1=CC=C(CCNC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300013865981	0	55	0.0	-71.27	417.81	7.30	-63.97
O=C([O-])C1(CNC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013865986	0	59	0.0	-67.84	424.97	8.24	-59.60
O=C([O-])C1(CNC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300013865986	1	59	0.0	-64.64	425.00	8.29	-56.35
CCC[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)C	REAL300013866024	0	54	0.0	-61.26	381.85	5.06	-56.20
CCC[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCOCC1)C(C)C	REAL300013866024	1	54	0.0	-59.25	383.72	4.99	-54.26
C[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C(C)(C)C1	REAL300013866059	0	52	0.0	-67.81	368.83	5.55	-62.26
C[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C(C)(C)C1	REAL300013866059	1	52	0.0	-67.06	367.51	5.85	-61.21
C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013866060	0	49	0.0	-60.47	360.85	5.00	-55.47
C[C@@H]1C[N@H+](C2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)C[C@H](C)O1	REAL300013866077	0	60	0.0	-65.03	423.38	6.99	-58.04
C[C@@H]1C[N@@H+](C2CCN(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)C[C@H](C)O1	REAL300013866077	1	60	0.0	-65.50	415.65	6.98	-58.52
N#CCC1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1	REAL300013866108	1	46	0.0	-46.19	375.39	7.44	-38.75
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CSC3=CC=CC=C3O2)CC1	REAL300013866178	1	48	0.0	-37.78	386.69	6.89	-30.89
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CS(=O)(=O)C3=CC=CC=C3O2)CC1	REAL300013866252	1	50	0.0	-45.89	405.24	3.21	-42.68
O=C([O-])C[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H]2C2=CC=CC=C2)CC1	REAL300013866369	1	49	0.0	-40.55	381.81	8.35	-32.20
O=C([O-])C[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H]2C2=CC=CC=C2)CC1	REAL300013866437	1	49	0.0	-36.52	381.81	8.35	-28.17
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)CC(F)F	REAL300013866488	1	44	0.0	-37.96	341.99	5.62	-32.34
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2CSC3=CC=CC=C3O2)CC1	REAL300013866545	1	51	0.0	-40.45	407.44	7.58	-32.87
CC(C)[C@@H]1CCO[C@@H]1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013866609	1	52	0.0	-35.36	376.43	4.93	-30.43
O=C([O-])C[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H]2C2CCC2)CC1	REAL300013866656	1	49	0.0	-35.35	374.50	7.57	-27.78
O=C([O-])C[NH+]1CCC(NC(=O)NCCNC(=O)CCCC2=CC=CC=C2)CC1	REAL300013866712	1	58	0.0	-42.88	456.85	6.96	-35.92
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCCC(F)C2)CC1	REAL300013866767	1	48	0.0	-36.74	361.59	6.78	-29.96
CO[C@@H]1COC[C@H]1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013866811	1	44	0.0	-41.59	340.80	1.82	-39.77
CCN1N=C(C)C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013866854	1	47	0.0	-38.53	372.30	3.84	-34.69
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CCCCC1	REAL300013866901	1	51	0.0	-34.87	366.91	7.14	-27.73
CS(=O)(=O)CCCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013866955	1	47	0.0	-48.16	379.47	2.32	-45.84
COC1=CC=NC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013867015	1	44	0.0	-37.97	355.44	1.94	-36.03
C=CCN1C=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=N1	REAL300013867071	1	45	0.0	-41.27	364.20	4.15	-37.12
COC1=CC=C(N2CCC(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2)C=C1	REAL300013867142	1	58	0.0	-38.89	438.88	6.01	-32.88
C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013867188	1	47	0.0	-41.91	362.89	4.71	-37.20
CC(C)(CCNC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013867222	0	54	0.0	-80.46	414.91	8.47	-71.99
CC(=O)N1CCN(C2=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=CC=[NH+]2)CC1	REAL300013867226	1	57	0.0	-75.66	435.75	5.08	-70.58
CC(C)(CCNC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013867231	0	51	0.0	-71.68	381.45	7.09	-64.59
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867239	0	53	0.0	-65.74	407.50	9.88	-55.86
CCCC[N@H+](C)CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867245	0	59	0.0	-74.93	424.19	9.92	-65.01
CCCC[N@@H+](C)CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867245	1	59	0.0	-75.13	424.20	9.93	-65.20
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867250	0	53	0.0	-76.01	413.90	10.11	-65.90
CC1=CC=C(CN(CC[NH+](C)C)C(=O)NCCC(C)(C)C(=O)[O-])O1	REAL300013867251	0	53	0.0	-70.56	411.15	9.00	-61.56
CC(C)[N@H+](C)CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867253	0	56	0.0	-72.78	397.33	8.91	-63.87
CC(C)[N@@H+](C)CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867253	1	56	0.0	-72.71	397.72	8.90	-63.81
CC[NH+](CC)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CO1	REAL300013867258	0	53	0.0	-66.06	394.01	6.69	-59.37
C[N@H+](CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013867261	0	50	0.0	-74.40	385.21	7.20	-67.20
C[N@@H+](CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013867261	1	50	0.0	-74.24	385.76	7.20	-67.04
CC(C)(CCNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013867262	1	48	0.0	-75.64	378.95	6.74	-68.90
CC(C)(CCNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013867262	1	48	0.0	-75.57	379.55	6.74	-68.83
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867285	0	53	0.0	-69.26	390.33	7.33	-61.93
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867285	1	53	0.0	-69.28	390.34	7.33	-61.95
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013867289	0	59	0.0	-64.51	410.11	7.81	-56.70
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867290	0	56	0.0	-70.04	410.61	7.88	-62.16
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013867291	0	56	0.0	-64.41	389.40	7.24	-57.17
CC1CCC[N@H+](C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013867291	1	56	0.0	-65.01	395.79	7.22	-57.79
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013867294	0	54	0.0	-71.26	408.11	8.52	-62.74
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013867294	1	54	0.0	-71.60	407.63	8.36	-63.24
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013867313	1	64	0.0	-80.29	459.11	9.08	-71.21
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867328	0	57	0.0	-80.29	427.13	5.77	-74.52
CC1=[NH+]C=CN1CC(C)CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867329	1	48	0.0	-66.91	373.71	6.63	-60.28
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867338	0	61	0.0	-69.39	428.90	5.71	-63.68
CC(C)(CCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013867355	0	60	0.0	-70.63	419.09	10.91	-59.72
CC(C)(CCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013867355	1	60	0.0	-70.21	419.64	10.88	-59.33
CC(C)(C)CC[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867366	0	56	0.0	-72.59	400.82	8.67	-63.92
C[NH+](C)CCC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867371	0	53	0.0	-74.66	385.16	8.32	-66.34
CC(C)(CCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013867391	0	57	0.0	-75.20	428.08	9.14	-66.06
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C2)CCO1	REAL300013867392	1	58	0.0	-74.36	443.56	7.44	-66.92
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C2)CCO1	REAL300013867392	1	58	0.0	-74.82	443.57	7.45	-67.37
CC(C)(CCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013867397	0	60	0.0	-72.30	430.52	8.88	-63.42
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867410	0	54	0.0	-67.97	417.69	7.05	-60.92
CC(C)(CCNC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300013867413	0	54	0.0	-72.52	419.02	8.30	-64.22
CC(C)(CCNC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300013867413	1	54	0.0	-72.47	412.55	8.26	-64.21
CC(C)(CCNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300013867414	0	54	0.0	-74.71	418.46	8.22	-66.49
COC1=CC=C(C[NH+]2CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013867415	0	61	0.0	-79.04	458.16	8.44	-70.60
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867423	1	54	0.0	-74.43	404.62	5.19	-69.24
CC(C)(CCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013867424	0	57	0.0	-72.57	433.88	9.16	-63.41
CC(C)(CCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013867424	1	57	0.0	-73.46	433.96	9.17	-64.29
CCOCC[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867430	1	51	0.0	-69.75	378.55	6.40	-63.35
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300013867439	0	53	0.0	-71.71	396.49	7.85	-63.86
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300013867439	1	53	0.0	-71.77	396.10	7.81	-63.96
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013867444	0	59	0.0	-65.45	413.97	7.85	-57.60
CCC1CCC[N@H+](C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013867444	1	59	0.0	-65.61	406.61	7.82	-57.79
CC(C)(CCNC(=O)NCCCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300013867455	0	56	0.0	-71.58	414.82	7.82	-63.76
CCC1=NC(C[NH+]2CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])CC2)=CS1	REAL300013867456	1	59	0.0	-72.95	457.62	7.96	-64.99
COC1=CC=CC=C1C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCCCC1	REAL300013867467	0	61	0.0	-65.28	446.36	9.35	-55.93
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300013867468	0	50	0.0	-74.64	383.52	8.20	-66.44
CC(C)(CCNC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300013867475	1	54	0.0	-84.53	420.91	8.57	-75.96
CC(C)(C)[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867485	0	53	0.0	-67.69	379.09	6.29	-61.40
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])C[NH+]1CCCCC1	REAL300013867488	0	53	0.0	-70.73	387.63	7.07	-63.66
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867510	0	55	0.0	-66.28	423.43	5.95	-60.33
CC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013867512	0	57	0.0	-68.67	427.63	9.02	-59.65
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300013867513	0	53	0.0	-68.03	381.89	6.69	-61.34
CC[NH+]1CCN(C2=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=CC=N2)CC1	REAL300013867523	0	58	0.0	-72.17	438.19	6.49	-65.68
CC(C)(CCNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300013867527	0	60	0.0	-74.21	439.79	9.27	-64.94
CC(C)(CCNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300013867528	0	60	0.0	-71.90	439.31	9.29	-62.61
CN1CC[N@H+](C)CC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867538	0	49	0.0	-72.15	356.84	3.05	-69.10
CN1CC[N@@H+](C)CC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867538	1	49	0.0	-72.73	364.19	3.38	-69.35
CC(C)(CCNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013867542	0	58	0.0	-72.43	444.62	8.12	-64.31
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867546	1	54	0.0	-73.19	397.51	9.73	-63.46
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867546	1	54	0.0	-72.95	399.93	9.95	-63.00
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])CC2)=N1	REAL300013867555	1	59	0.0	-76.14	448.17	5.67	-70.47
CC1CC[NH+](C(CNC(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013867561	0	60	0.0	-67.38	440.88	10.58	-56.80
CC1CCCC(CNC(=O)NCCC(C)(C)C(=O)[O-])([NH+](C)C)C1	REAL300013867569	0	56	0.0	-69.57	388.89	6.97	-62.60
C[N@H+](CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300013867579	0	63	0.0	-66.71	458.61	10.50	-56.21
C[N@@H+](CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300013867579	1	63	0.0	-64.84	454.23	10.98	-53.86
CC(C)(CCNC(=O)N1CC[NH+](CCC2=CC=CS2)CC1)C(=O)[O-]	REAL300013867596	1	51	0.0	-75.65	396.32	9.13	-66.52
COC1=CC=C(N2CC[NH+](CCNC(=O)NCCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013867606	1	60	0.0	-77.52	449.09	5.69	-71.83
CCCC[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867608	0	53	0.0	-72.07	392.48	7.05	-65.02
CN1CCC([NH+]2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013867613	0	59	0.0	-72.30	420.62	5.15	-67.15
CC(C)(CCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300013867653	0	58	0.0	-69.34	409.13	7.92	-61.42
CC(C)(CCNC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300013867659	1	45	0.0	-74.98	349.30	5.24	-69.74
CC(C)(CCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300013867671	0	60	0.0	-62.94	432.08	10.18	-52.76
CC(C)(CCNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013867714	1	58	0.0	-72.10	436.99	3.61	-68.49
CC(C)(CCNC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013867734	0	56	0.0	-80.91	425.18	7.52	-73.39
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867745	0	59	0.0	-72.77	433.42	9.60	-63.17
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867745	1	59	0.0	-66.24	432.78	10.47	-55.77
CC(C)(CCNC(=O)N(CCC[NH+]1CCOCC1)CC1=CC=NC=C1)C(=O)[O-]	REAL300013867758	1	60	0.0	-78.58	453.54	8.57	-70.01
CC(C)(CCNC(=O)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1)C(=O)[O-]	REAL300013867761	0	55	0.0	-75.75	406.85	10.35	-65.40
CC([NH2+]C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013867770	0	56	0.0	-70.79	413.34	7.30	-63.49
CC([NH2+]C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013867771	0	60	0.0	-71.24	437.08	8.29	-62.95
CCC(CC)(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013867772	0	62	0.0	-68.95	442.87	8.44	-60.51
CCC1CCCC[N@@H+]1CCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867775	0	53	0.0	-68.55	379.05	6.29	-62.26
CCC1CCCC[N@H+]1CCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867775	1	53	0.0	-68.06	385.05	6.60	-61.46
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013867780	0	57	0.0	-74.46	421.21	10.50	-63.96
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013867790	0	59	0.0	-75.50	448.06	8.05	-67.45
CC(C)(CCNC(=O)N1CCC[N@H+](CCCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013867792	0	60	0.0	-74.68	441.01	12.09	-62.59
CC(C)(CCNC(=O)N1CCC[N@@H+](CCCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013867792	1	60	0.0	-74.19	441.59	12.12	-62.07
CC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300013867830	0	54	0.0	-67.33	406.02	7.37	-59.96
COCCC[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867857	0	54	0.0	-73.69	404.51	5.36	-68.33
CCC[NH+]1CCC(N(C)C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867861	0	53	0.0	-72.15	383.80	8.34	-63.81
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CC[NH+](CCC2=CC=CC=N2)CC1	REAL300013867862	0	59	0.0	-75.82	437.91	9.57	-66.25
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013867863	0	59	0.0	-82.01	438.73	9.58	-72.43
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867876	0	60	0.0	-77.68	440.15	11.32	-66.36
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013867876	1	60	0.0	-77.57	439.55	11.31	-66.26
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867887	0	56	0.0	-72.90	421.69	10.41	-62.49
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013867888	0	57	0.0	-83.01	447.02	5.74	-77.27
CC(C)(CCNC(=O)N1CCCC1C[NH+]1CCCC1)C(=O)[O-]	REAL300013867906	0	51	0.0	-65.26	367.80	7.65	-57.61
C[NH+]1CCN(CC(NC(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013867917	0	59	0.0	-69.97	447.30	7.47	-62.50
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013867922	0	61	0.0	-73.98	469.06	6.83	-67.15
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013867922	1	61	0.0	-74.06	469.06	6.84	-67.22
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C2)CC1	REAL300013867930	0	60	0.0	-72.88	451.29	9.71	-63.17
CCC[NH+](CCC)CCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867931	0	55	0.0	-72.42	404.28	6.97	-65.45
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C2)CC1	REAL300013867936	0	59	0.0	-71.43	448.08	6.67	-64.76
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C2)CC1	REAL300013867936	1	59	0.0	-72.91	447.53	6.55	-66.36
CC1CC[NH+](CC2CCCN(C(=O)NCCC(C)(C)C(=O)[O-])C2)CC1	REAL300013867962	0	60	0.0	-69.03	426.29	10.20	-58.83
CC(C)(CCNC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013867971	0	57	0.0	-69.30	413.37	8.70	-60.60
CC(C)(CCNC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013867971	1	57	0.0	-68.54	413.73	8.80	-59.74
CC(C)(CCNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C(=O)[O-]	REAL300013867986	1	54	0.0	-78.75	420.69	7.50	-71.25
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867988	0	59	0.0	-68.97	429.28	10.90	-58.07
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013867993	0	59	0.0	-72.70	446.87	11.45	-61.25
CC(C)(CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013868004	0	55	0.0	-75.23	402.96	7.24	-67.99
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013868007	0	57	0.0	-75.56	441.33	7.66	-67.90
CC(C)(CCNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013868009	0	57	0.0	-76.94	434.84	9.17	-67.77
CC(C)(CCNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013868009	1	57	0.0	-75.41	435.67	9.20	-66.21
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013868033	0	54	0.0	-71.30	399.04	8.28	-63.02
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013868033	1	54	0.0	-72.14	399.26	8.23	-63.91
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300013868034	1	51	0.0	-71.90	391.50	7.72	-64.18
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300013868034	1	51	0.0	-72.58	389.89	7.32	-65.26
CC(C)(CCNC(=O)N1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013868053	0	57	0.0	-72.64	404.67	9.58	-63.06
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868054	0	53	0.0	-69.28	417.92	10.31	-58.97
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868055	0	53	0.0	-69.40	408.17	9.88	-59.52
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868056	0	53	0.0	-75.02	419.67	10.14	-64.88
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868057	0	53	0.0	-80.14	413.57	10.10	-70.04
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868065	0	56	0.0	-68.92	425.85	6.99	-61.93
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868068	0	57	0.0	-74.13	410.89	7.19	-66.94
CC(C)(CCNC(=O)NCC1=CC=C[NH+]=C1N1CCC(C(N)=O)CC1)C(=O)[O-]	REAL300013868080	1	57	0.0	-83.67	440.99	3.22	-80.45
CC(C)(CCNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300013868082	0	60	0.0	-78.71	456.04	7.57	-71.14
C[N@H+](CCN1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013868089	0	62	0.0	-76.04	456.30	8.91	-67.13
C[N@@H+](CCN1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300013868089	1	62	0.0	-75.83	456.36	8.90	-66.93
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013868091	0	57	0.0	-73.43	440.84	7.81	-65.62
CC(C)(C)[N@@H+]1CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868116	0	53	0.0	-66.68	368.88	8.24	-58.44
CC(C)(C)[N@H+]1CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868116	1	53	0.0	-66.57	369.18	8.25	-58.32
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013868124	0	53	0.0	-72.00	406.61	7.88	-64.12
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013868124	1	53	0.0	-72.02	407.19	7.89	-64.13
COC1=CC=[NH+]C(N2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)=C1	REAL300013868130	0	51	0.0	-67.24	384.82	5.74	-61.50
CC(C)(CCNC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300013868136	0	49	0.0	-71.52	368.43	4.42	-67.10
CC(C)(CCNC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300013868136	1	49	0.0	-71.13	368.32	4.42	-66.71
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868139	0	58	0.0	-68.96	418.90	6.52	-62.44
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868139	1	58	0.0	-69.21	419.18	6.52	-62.69
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868139	1	58	0.0	-73.12	418.65	6.61	-66.51
CC(C)(CCNC(=O)N1CCCC1C[NH+]1CCCCC1)C(=O)[O-]	REAL300013868141	0	54	0.0	-64.09	384.67	8.50	-55.59
CC1C[NH+](CC2CCCN2C(=O)NCCC(C)(C)C(=O)[O-])CC(C)O1	REAL300013868143	1	58	0.0	-67.23	416.97	7.74	-59.49
CC(C)[N@@H+]1CCCC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013868145	0	53	0.0	-67.25	379.55	6.72	-60.53
CC(C)[N@H+]1CCCC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013868145	1	53	0.0	-67.33	378.99	6.70	-60.63
CC1CCC(C)[NH+]1CCN1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868146	0	62	0.0	-69.02	434.96	7.18	-61.84
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868148	0	53	0.0	-72.92	406.14	9.64	-63.28
CC(C)(CCNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300013868151	0	58	0.0	-77.53	442.10	5.76	-71.77
CC[NH+](CC)CCN(CCOC)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868152	0	56	0.0	-70.39	405.81	7.50	-62.89
COCCN(CC[NH+](C)C)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868154	0	50	0.0	-66.45	379.95	6.20	-60.25
CC(C)(CCNC(=O)N1CCCC([NH+]2CCCC2)C1)C(=O)[O-]	REAL300013868184	0	51	0.0	-67.31	368.20	7.91	-59.40
CC(C)(CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300013868235	0	55	0.0	-67.26	386.01	5.14	-62.12
CC(C)(CCNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013868241	0	57	0.0	-68.71	411.16	10.19	-58.52
CC(C)(CCNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013868241	1	57	0.0	-68.70	411.15	10.20	-58.50
C=C(C)C[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868249	0	51	0.0	-71.10	383.62	6.69	-64.41
CCCN(C(=O)NCCC(C)(C)C(=O)[O-])C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013868316	0	63	0.0	-73.22	436.93	12.50	-60.72
CCCN(C(=O)NCCC(C)(C)C(=O)[O-])C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013868316	1	63	0.0	-64.29	441.77	12.24	-52.05
CC[NH+]1CCN(C2CCN(C(=O)NCCC(C)(C)C(=O)[O-])C2)CC1	REAL300013868337	0	56	0.0	-72.55	406.76	6.05	-66.50
CC(CN1CC[NH+](C)CC1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868341	0	52	0.0	-67.67	385.82	4.12	-63.55
CC(C[NH+]1CCN(C)CC1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868341	1	52	0.0	-69.95	385.38	4.16	-65.79
CC(C)(CCNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013868342	0	57	0.0	-73.20	441.63	9.59	-63.61
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2F)CC1	REAL300013868343	0	59	0.0	-74.55	451.01	7.41	-67.14
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868349	0	52	0.0	-76.93	398.69	8.01	-68.92
CC1CCCC(C)[NH+]1CCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868365	0	53	0.0	-66.92	379.98	6.16	-60.76
CC(C)(CCNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300013868379	1	55	0.0	-74.77	422.36	6.70	-68.07
CC(C)(CCNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013868383	0	53	0.0	-80.37	403.24	6.70	-73.67
CC[NH+](CC)C1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868390	0	53	0.0	-70.02	372.09	7.85	-62.17
CC(C)(CCNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013868407	0	62	0.0	-77.34	462.57	7.97	-69.37
CC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013868436	0	53	0.0	-69.99	399.18	8.91	-61.08
COCC[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868446	0	51	0.0	-70.10	381.95	4.71	-65.39
CC(C)(CCNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013868456	0	57	0.0	-69.45	421.86	9.36	-60.09
CC(C)(CCNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013868456	1	57	0.0	-69.93	417.21	8.65	-61.28
CC(C)(CCNC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013868458	0	57	0.0	-73.61	428.67	9.15	-64.46
CC(C)(CCNC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013868458	1	57	0.0	-73.62	428.65	9.13	-64.49
CC(C)(CCNC(=O)N1CCCC([NH+]2CCCCC2)C1)C(=O)[O-]	REAL300013868460	0	54	0.0	-67.99	382.56	8.62	-59.37
COC1CC[NH+](C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868461	0	57	0.0	-68.81	407.08	5.63	-63.18
COC1CC[NH+](C2(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCC2)CC1	REAL300013868462	0	61	0.0	-68.54	432.56	6.86	-61.68
CC(C)(CCNC(=O)N1CCC([NH+]2CCCCC2)C1)C(=O)[O-]	REAL300013868465	0	51	0.0	-70.51	372.98	7.79	-62.72
COCC[NH+]1CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868469	0	54	0.0	-72.06	401.83	5.40	-66.66
CCCC[N@@H+]1CCCCC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868484	0	56	0.0	-69.41	401.40	7.25	-62.16
CCCC[N@H+]1CCCCC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868484	1	56	0.0	-67.55	400.06	7.41	-60.14
CC(C)(CCNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013868488	0	64	0.0	-67.35	435.07	7.08	-60.27
CC(C)(CCNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013868488	1	64	0.0	-66.84	435.81	7.10	-59.74
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCC1	REAL300013868511	0	57	0.0	-67.85	418.03	9.07	-58.78
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCC1	REAL300013868511	1	57	0.0	-69.10	420.33	8.65	-60.45
CC(C)(CCNC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013868534	0	55	0.0	-76.60	404.78	5.61	-70.99
CC(C)(CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1)C(=O)[O-]	REAL300013868540	0	55	0.0	-75.41	396.22	7.19	-68.22
CN1CC[NH+](CCCCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868543	0	55	0.0	-72.86	409.67	4.49	-68.37
C[NH+]1CCN(CCCCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868543	1	55	0.0	-72.13	410.64	4.63	-67.50
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868553	1	54	0.0	-73.26	397.62	9.76	-63.50
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868553	1	54	0.0	-73.14	399.35	9.97	-63.17
CC(C)(CCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013868573	0	61	0.0	-70.66	424.20	6.80	-63.86
CC[N@@H+]1CCC2CCC(C1)N2C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868589	0	51	0.0	-64.24	361.13	8.27	-55.97
CC[N@H+]1CCC2CCC(C1)N2C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868589	1	51	0.0	-64.53	359.96	8.29	-56.24
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868600	0	55	0.0	-71.26	419.58	9.27	-61.99
C[NH+](C)CCN(CC1=CC=CS1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868602	0	50	0.0	-70.48	396.23	9.19	-61.29
C[NH+]1CCC2(CCCN2C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868638	0	51	0.0	-55.56	353.82	7.17	-48.39
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868652	0	54	0.0	-71.02	386.87	5.66	-65.36
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868652	1	54	0.0	-71.19	385.57	5.43	-65.76
CC(C)(CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013868678	0	55	0.0	-70.40	395.99	7.14	-63.26
CC(C)(CCNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013868681	0	60	0.0	-73.23	436.69	10.13	-63.10
CC(C)(CCNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013868681	1	60	0.0	-73.20	437.94	9.83	-63.37
C[NH+](C)CCCC(C)(C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868699	0	52	0.0	-74.89	378.67	6.15	-68.74
C[C@@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@H](C)[N@H+]1CCO	REAL300013868703	0	51	0.0	-66.94	360.77	4.06	-62.88
C[C@@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@H](C)[N@@H+]1CCO	REAL300013868703	1	51	0.0	-68.10	361.35	3.50	-64.60
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300013868716	0	57	0.0	-70.50	417.94	11.00	-59.50
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013868716	1	57	0.0	-69.31	415.24	10.56	-58.75
C[NH+](C)CCN(CC1CCCCC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868723	0	59	0.0	-70.61	426.83	10.02	-60.59
C[NH+](C)CCCCCCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868724	0	55	0.0	-72.45	416.05	7.51	-64.94
COCC[N@@H+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013868725	0	48	0.0	-70.90	364.36	4.28	-66.62
COCC[N@H+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013868725	1	48	0.0	-70.80	365.78	4.04	-66.76
CC(C)(CCNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013868737	0	55	0.0	-73.52	385.95	7.31	-66.21
CC(C)(CCNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013868737	1	55	0.0	-70.51	388.21	7.50	-63.01
CC1CC(N(C)C(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013868739	0	60	0.0	-68.48	427.02	10.87	-57.61
CC1CC(N(C)C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013868739	1	60	0.0	-72.82	431.05	10.66	-62.16
CC(C)(CCNC(=O)N1CCCC([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013868741	0	54	0.0	-68.12	381.87	8.92	-59.20
CC(C)(CCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(=O)[O-]	REAL300013868744	0	54	0.0	-67.79	380.88	9.39	-58.40
CC(C)(CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1)C(=O)[O-]	REAL300013868744	1	54	0.0	-67.78	381.14	9.39	-58.39
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868749	1	59	0.0	-71.05	436.69	8.76	-62.29
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])C[NH+]1CCOCC1	REAL300013868750	1	51	0.0	-73.77	378.43	4.67	-69.10
CC(C)C1CCC([NH+]2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013868755	0	63	0.0	-70.65	438.79	10.35	-60.30
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C(C)(C)C[NH+](C)C	REAL300013868773	0	52	0.0	-73.11	369.78	6.45	-66.66
CN(CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868803	0	59	0.0	-72.20	437.13	8.28	-63.92
CC[N@H+](CCC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1)CC1CC1	REAL300013868814	0	63	0.0	-73.27	452.97	11.21	-62.06
CC[N@@H+](CCC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1)CC1CC1	REAL300013868814	1	63	0.0	-74.04	453.11	11.21	-62.83
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+]1CC(C)(C)O	REAL300013868833	0	54	0.0	-68.25	387.02	5.35	-62.90
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1CC(C)(C)O	REAL300013868833	1	54	0.0	-68.32	382.83	5.52	-62.80
CC(C)(CCNC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300013868844	0	48	0.0	-71.92	355.65	3.84	-68.08
CC(C)(CCNC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300013868844	1	48	0.0	-73.87	352.91	3.64	-70.23
C[NH+](C)CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013868871	0	50	0.0	-65.73	395.11	8.13	-57.60
C[C@H](O)C[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868872	1	48	0.0	-72.04	356.11	3.78	-68.26
C[C@@H](O)C[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868873	1	48	0.0	-69.48	355.41	3.77	-65.71
CC(O)C[N@@H+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C(C)C1	REAL300013868874	0	51	0.0	-72.15	370.13	4.39	-67.76
CC(O)C[N@H+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C(C)C1	REAL300013868874	1	51	0.0	-72.06	372.62	4.60	-67.46
CC(C)(CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C(=O)[O-]	REAL300013868875	0	51	0.0	-66.51	363.30	4.05	-62.46
CC(C)(CCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C(=O)[O-]	REAL300013868875	1	51	0.0	-67.67	361.76	4.35	-63.32
CC(C)(CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013868895	0	58	0.0	-76.73	418.01	7.79	-68.94
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868907	0	62	0.0	-64.32	403.91	9.17	-55.15
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868933	0	57	0.0	-73.63	429.92	5.58	-68.05
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868933	1	57	0.0	-74.36	427.14	5.60	-68.76
C[N@H+](CCCO)C1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868934	0	54	0.0	-75.15	391.23	4.84	-70.31
C[N@@H+](CCCO)C1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868934	1	54	0.0	-75.14	391.82	4.84	-70.30
C[NH+]1CCC(O)(CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013868942	0	48	0.0	-72.80	358.42	2.71	-70.09
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C2)=C1	REAL300013868950	1	59	0.0	-76.62	451.25	6.42	-70.20
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C2)=C1	REAL300013868950	1	59	0.0	-75.95	449.31	6.28	-69.67
C[NH+](C)CCN(CC1=CC=CO1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013868969	0	50	0.0	-73.43	384.12	8.00	-65.43
CC(C)(CCNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013868990	0	53	0.0	-71.90	399.55	5.36	-66.54
CC[N@H+](CCC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1)CC(C)C	REAL300013869004	0	65	0.0	-73.08	455.00	10.82	-62.26
CC[N@@H+](CCC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1)CC(C)C	REAL300013869004	1	65	0.0	-72.77	459.98	11.14	-61.63
COC(=O)CC[N@@H+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C(C)C1	REAL300013869017	1	53	0.0	-78.56	396.51	7.81	-70.75
COC(=O)CC[N@H+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C(C)C1	REAL300013869017	1	53	0.0	-78.44	396.61	7.81	-70.63
CC(C)(CCNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013869018	0	61	0.0	-73.78	463.81	9.08	-64.70
C[NH+](C)CCC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013869040	0	53	0.0	-75.96	411.35	8.08	-67.88
CC(C)(CCNC(=O)N1CCC([NH2+]C2CCS(=O)(=O)C2)CC1)C(=O)[O-]	REAL300013869050	0	54	0.0	-97.47	406.84	3.33	-94.14
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013869078	0	58	0.0	-76.30	440.84	7.95	-68.35
C[N@@H+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1CC1=CC=CC=C1	REAL300013869086	1	54	0.0	-77.23	402.07	9.67	-67.56
C[N@H+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1CC1=CC=CC=C1	REAL300013869086	1	54	0.0	-76.96	401.06	9.65	-67.31
COC1=CC=C(C(C[NH+](C)C)NC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013869090	0	54	0.0	-70.70	415.34	7.50	-63.20
CC[NH+]1CCN(CC(C)(C)NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013869106	0	58	0.0	-69.42	412.05	6.45	-62.97
CCN1CC[NH+](CC(C)(C)NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013869106	1	58	0.0	-71.29	408.13	5.93	-65.36
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1	REAL300013869120	0	53	0.0	-79.68	401.93	8.72	-70.96
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869141	0	57	0.0	-69.15	412.29	10.91	-58.24
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869141	1	57	0.0	-69.70	410.41	10.34	-59.36
CC(C)(CCNC(=O)NCC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013869146	0	55	0.0	-73.00	420.78	5.20	-67.80
CC(C)(CCNC(=O)NCC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013869146	1	55	0.0	-73.29	421.21	5.41	-67.88
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013869150	1	58	0.0	-72.18	439.42	8.04	-64.14
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013869150	1	58	0.0	-72.45	438.33	8.04	-64.41
C[NH+](C)CCN(CC1CCCO1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869161	0	54	0.0	-73.00	403.54	7.71	-65.29
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869164	1	59	0.0	-74.78	437.94	7.55	-67.23
CC(C)C[N@@H+]1CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013869184	0	53	0.0	-71.35	393.75	6.86	-64.49
CC(C)C[N@H+]1CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013869184	1	53	0.0	-71.45	392.60	6.76	-64.69
CC1CC(NC(=O)NCCC(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013869195	0	54	0.0	-71.60	405.43	7.97	-63.63
CC1CC(NC(=O)NCCC(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013869195	1	54	0.0	-72.12	410.86	8.31	-63.81
C[NH+](C)CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1CCCC1	REAL300013869200	0	53	0.0	-71.87	381.39	9.50	-62.37
CC(C)CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013869201	0	62	0.0	-73.30	458.58	8.77	-64.53
CCCC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013869218	0	60	0.0	-70.70	438.99	11.00	-59.70
CCCC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013869218	1	60	0.0	-73.16	435.06	11.22	-61.94
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869219	0	53	0.0	-73.43	404.07	8.47	-64.96
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869219	1	53	0.0	-74.36	403.93	8.44	-65.92
CCCN(CCC[NH+](C)C)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869233	0	52	0.0	-69.85	391.00	8.54	-61.31
CCN(CCC[NH+](CC)CC)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869239	0	55	0.0	-67.98	405.21	9.17	-58.81
CCN(CCC[NH+]1CCCC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869240	0	53	0.0	-68.38	391.43	8.83	-59.55
CO[C@H]1C[C@@H](CN(C)C(=O)NCCC(C)(C)C(=O)[O-])[N@H+](C)C1	REAL300013869254	0	51	0.0	-66.12	374.44	6.73	-59.39
CO[C@H]1C[C@@H](CN(C)C(=O)NCCC(C)(C)C(=O)[O-])[N@@H+](C)C1	REAL300013869254	1	51	0.0	-73.98	373.78	5.59	-68.39
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013869257	0	53	0.0	-70.17	389.72	7.92	-62.25
CC1=CC=CC=C1C(C(C)NC(=O)NCCC(C)(C)C(=O)[O-])[NH+](C)C	REAL300013869258	0	56	0.0	-69.75	402.20	8.74	-61.01
CCC[N@H+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013869261	0	56	0.0	-71.79	428.25	8.75	-63.04
CCC[N@@H+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013869261	1	56	0.0	-71.82	427.99	8.75	-63.07
CC(C)(CCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300013869296	1	56	0.0	-71.74	388.77	4.21	-67.53
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869313	1	57	0.0	-68.42	438.63	9.90	-58.52
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869313	1	57	0.0	-69.95	440.57	9.22	-60.73
CC1=[NH+]C=CN1CCCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869315	1	48	0.0	-68.06	379.24	6.74	-61.32
C[NH+](C)C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CC2=CC=CC=C2C1	REAL300013869317	0	54	0.0	-68.94	395.22	7.80	-61.14
CC(C)(O)C[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013869356	0	51	0.0	-72.71	368.94	4.87	-67.84
CC(C)(CCNC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300013869398	0	58	0.0	-68.82	415.59	4.83	-63.99
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013869437	0	57	0.0	-69.37	431.31	9.11	-60.26
CCC(C)[NH2+]C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CO1	REAL300013869467	0	53	0.0	-68.73	404.75	5.78	-62.95
CN(CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869472	0	62	0.0	-71.90	459.56	8.79	-63.11
C[NH+](C)CCN(CC1=CSC=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869495	0	50	0.0	-73.12	394.86	9.04	-64.08
COCCC[N@H+](C)CCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869537	0	50	0.0	-74.21	381.46	4.07	-70.14
COCCC[N@@H+](C)CCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869537	1	50	0.0	-74.08	382.04	4.11	-69.97
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013869549	0	55	0.0	-69.97	403.55	4.48	-65.49
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300013869549	1	55	0.0	-72.43	406.96	4.90	-67.53
CCN1CC[NH+](CC(C)CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013869550	0	58	0.0	-69.94	421.70	5.29	-64.65
CC[NH+]1CCN(CC(C)CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013869550	1	58	0.0	-71.14	424.79	5.59	-65.55
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013869551	0	62	0.0	-71.90	467.50	10.13	-61.77
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013869551	1	62	0.0	-72.14	467.77	10.11	-62.03
CC(C)[NH+]1CCC(O)(CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013869562	0	54	0.0	-70.05	392.17	3.81	-66.24
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869573	0	60	0.0	-75.28	440.81	9.35	-65.93
CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013869574	1	61	0.0	-72.87	441.95	7.89	-64.98
CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013869574	1	61	0.0	-73.13	442.56	7.89	-65.24
CN(CCCN1CC[NH+](C)CC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869589	0	55	0.0	-69.69	406.50	6.23	-63.46
CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869589	1	55	0.0	-68.71	406.11	6.11	-62.60
C[N@@H+]1CCC2C(CCCN2C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013869590	0	51	0.0	-69.20	363.01	7.87	-61.33
C[N@H+]1CCC2C(CCCN2C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013869590	1	51	0.0	-70.11	355.52	7.41	-62.70
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013869596	0	57	0.0	-72.34	432.21	9.23	-63.11
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013869596	1	57	0.0	-75.36	430.70	8.97	-66.39
CC(C)(CCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013869609	0	61	0.0	-75.64	438.93	8.55	-67.09
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013869625	0	60	0.0	-64.40	442.19	10.63	-53.77
CC(C)(CNC(=O)NCCC(C)(C)C(=O)[O-])C[NH+]1CCCC1	REAL300013869636	0	53	0.0	-70.46	378.30	6.83	-63.63
CC[N@H+](CCNC(=O)NCCC(C)(C)C(=O)[O-])CCC(F)(F)F	REAL300013869652	0	49	0.0	-77.04	379.43	5.81	-71.23
CC[N@@H+](CCNC(=O)NCCC(C)(C)C(=O)[O-])CCC(F)(F)F	REAL300013869652	1	49	0.0	-77.53	383.89	6.08	-71.45
CCCN(CC[NH+]1CCCC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869656	0	53	0.0	-67.48	395.45	8.95	-58.53
CC1CC([NH+]2CCCC2)CN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869662	0	51	0.0	-71.59	374.01	7.80	-63.79
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013869665	0	51	0.0	-75.93	394.42	8.84	-67.09
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013869665	1	51	0.0	-76.46	393.65	8.85	-67.61
CC(C)(CCNC(=O)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1)C(=O)[O-]	REAL300013869666	0	58	0.0	-76.97	433.21	10.44	-66.53
CC(C)(CCNC(=O)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1)C(=O)[O-]	REAL300013869666	1	58	0.0	-76.87	432.38	10.43	-66.44
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CC2CCC(C1)[NH+]2C	REAL300013869671	0	51	0.0	-72.03	360.59	7.50	-64.53
CCCN(CC[NH+]1CCCCC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869672	0	56	0.0	-66.79	406.65	9.47	-57.32
COCC[NH+](CCOC)C1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013869679	0	61	0.0	-69.33	433.69	6.62	-62.71
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCCC(C)(C)C(=O)[O-])C2	REAL300013869682	0	58	0.0	-76.46	419.78	5.73	-70.73
C[N@@H+]1CC2CN(C(=O)NCCC(C)(C)C(=O)[O-])CC2C1C1=CC=CC=C1	REAL300013869724	0	55	0.0	-76.31	404.33	9.56	-66.75
C[N@H+]1CC2CN(C(=O)NCCC(C)(C)C(=O)[O-])CC2C1C1=CC=CC=C1	REAL300013869724	1	55	0.0	-75.82	409.90	9.92	-65.90
CC(C)(CCNC(=O)NC1CCCCC1[NH+]1CCOCC1)C(=O)[O-]	REAL300013869741	1	55	0.0	-69.22	393.09	6.18	-63.04
CC1CCCC[N@@H+]1CCC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013869745	0	63	0.0	-71.92	443.41	10.68	-61.24
CC1CCCC[N@H+]1CCC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013869745	1	63	0.0	-72.29	436.66	10.36	-61.93
CC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013869780	1	53	0.0	-63.90	397.18	7.02	-56.88
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1CCC[N@@H+](C2CCC2)C1	REAL300013869782	0	57	0.0	-71.67	403.13	7.56	-64.11
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1CCC[N@H+](C2CCC2)C1	REAL300013869782	1	57	0.0	-68.12	408.12	8.31	-59.81
CC(C)(CCNC(=O)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300013869785	0	58	0.0	-67.33	401.94	9.99	-57.34
CC(C)(CCNC(=O)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300013869785	1	58	0.0	-67.80	416.08	10.54	-57.26
CC(C)(CCNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300013869786	0	55	0.0	-63.96	416.73	5.93	-58.03
CC(C)(CCNC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300013869786	1	55	0.0	-67.53	420.51	5.31	-62.22
CC[NH+](CC)CCCC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013869801	0	62	0.0	-72.63	437.39	10.20	-62.43
CC(C)(CCNC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013869813	1	55	0.0	-71.54	419.79	9.30	-62.24
CC(C)(CCNC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013869813	1	55	0.0	-74.69	417.45	8.42	-66.27
CC(C)(CCNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013869815	0	58	0.0	-73.74	432.34	7.59	-66.15
CC(C)(CCNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013869815	1	58	0.0	-73.93	432.90	7.54	-66.39
CC1C[N@H+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])CCCO1	REAL300013869838	0	54	0.0	-74.27	397.45	5.42	-68.85
CC1C[N@@H+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])CCCO1	REAL300013869838	1	54	0.0	-72.90	397.79	5.37	-67.53
CN1CC[NH+](CC2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013869841	0	59	0.0	-74.47	421.05	7.03	-67.44
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869856	0	53	0.0	-72.16	407.35	8.64	-63.52
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869856	1	53	0.0	-71.87	406.28	8.56	-63.31
CC1C([NH+]2CCCC2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869875	0	51	0.0	-71.31	371.94	7.71	-63.60
CCN(CC[NH+]1CCCCCC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869878	0	56	0.0	-66.51	396.82	8.98	-57.53
CN(CCC1CCCC[N@@H+]1C)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869881	0	53	0.0	-69.01	385.25	8.33	-60.68
CN(CCC1CCCC[N@H+]1C)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013869881	1	53	0.0	-66.25	384.66	8.35	-57.90
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013869888	0	57	0.0	-71.65	409.66	10.01	-61.64
C[N@@H+]1CCCC2CN(C(=O)NCCC(C)(C)C(=O)[O-])CCC21	REAL300013869923	0	51	0.0	-72.46	357.43	7.36	-65.10
C[N@H+]1CCCC2CN(C(=O)NCCC(C)(C)C(=O)[O-])CCC21	REAL300013869923	1	51	0.0	-72.60	356.94	7.38	-65.22
CC(C)(CCNC(=O)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013869924	0	61	0.0	-73.16	440.52	11.32	-61.84
CC(C)(CCNC(=O)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013869924	1	61	0.0	-71.59	430.33	10.77	-60.82
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013869936	0	55	0.0	-74.94	398.49	6.67	-68.27
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013869936	1	55	0.0	-73.34	398.02	6.67	-66.67
CC(C)(CCNC(=O)N1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300013869937	0	54	0.0	-70.84	378.88	8.35	-62.49
CC1=CC=[NH+]C(N2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)=C1	REAL300013869941	1	50	0.0	-65.51	376.58	7.09	-58.42
CC(C)(CCNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013869943	1	56	0.0	-77.65	436.30	6.92	-70.73
CC(C)(CCNC(=O)NNC1=[NH+]N=CC(N)=C1Cl)C(=O)[O-]	REAL300013869950	0	38	0.0	-60.93	320.59	1.94	-58.99
CC(C)(CCNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013869983	0	61	0.0	-73.73	451.68	9.96	-63.77
CC(C)(CCNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013869983	1	61	0.0	-74.31	445.79	10.45	-63.86
CC(C)(CCNC(=O)NCC1CCCC[N@@H+]1C1CC1)C(=O)[O-]	REAL300013870001	0	51	0.0	-67.15	370.33	6.50	-60.65
CC(C)(CCNC(=O)NCC1CCCC[N@H+]1C1CC1)C(=O)[O-]	REAL300013870001	1	51	0.0	-66.78	371.88	6.46	-60.32
CC(C)(CCNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)C(=O)[O-]	REAL300013870019	0	53	0.0	-69.63	385.06	6.60	-63.03
CC(C)(CCNC(=O)NCC[N@H+]1CCCC(C)(C)C1)C(=O)[O-]	REAL300013870019	1	53	0.0	-69.64	385.07	6.60	-63.04
C[NH+](C)CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300013870031	0	50	0.0	-68.07	389.31	7.56	-60.51
CC(C)OC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013870040	0	60	0.0	-72.59	446.47	9.01	-63.58
CC(C)CC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013870049	0	62	0.0	-71.41	461.45	9.92	-61.49
CC1C(NC(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013870065	0	54	0.0	-71.35	404.97	7.97	-63.38
CC1C(NC(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013870065	1	54	0.0	-70.00	402.03	8.63	-61.37
C[N@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013870073	0	54	0.0	-73.88	407.56	9.52	-64.36
C[N@@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013870073	1	54	0.0	-74.72	407.50	9.51	-65.21
CC(C)(CCNC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013870089	0	54	0.0	-72.53	397.11	7.51	-65.02
CC(C)(CCNC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013870089	1	54	0.0	-72.74	397.15	7.53	-65.21
CC(C)(CCNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO)C(=O)[O-]	REAL300013870115	0	58	0.0	-69.08	429.48	5.99	-63.09
CC(C)(CCNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO)C(=O)[O-]	REAL300013870115	1	58	0.0	-69.23	429.54	5.99	-63.24
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1C[N@H+](C)CCO1	REAL300013870136	1	48	0.0	-72.02	362.70	4.49	-67.53
CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300013870136	1	48	0.0	-72.03	362.14	4.50	-67.53
CC(CCNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCCCC1	REAL300013870145	0	53	0.0	-69.91	385.07	6.64	-63.27
CC(C1CC[NH+](C)CC1)N(C)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870152	0	53	0.0	-70.53	382.70	8.62	-61.91
CC[NH+](CC)CCOCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870165	0	53	0.0	-67.09	394.32	4.93	-62.16
CN1CC[NH+](CC2(C)CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013870170	0	62	0.0	-72.04	425.78	7.05	-64.99
CC(C)(CCNC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300013870175	0	51	0.0	-70.48	376.41	6.78	-63.70
CC1=C[NH+]=CC=C1OC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013870190	1	52	0.0	-73.24	393.21	7.62	-65.62
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870207	0	55	0.0	-72.48	388.23	6.74	-65.74
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870207	1	55	0.0	-72.21	390.11	7.01	-65.20
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870208	0	55	0.0	-72.22	390.03	7.00	-65.22
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870208	1	55	0.0	-72.29	388.87	6.80	-65.49
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870217	0	56	0.0	-71.86	435.99	5.92	-65.94
CN(C)CC[N@H+](C)CCCN(C)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870220	0	57	0.0	-70.06	420.86	6.24	-63.82
CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870220	1	57	0.0	-70.30	421.32	6.25	-64.05
CN(CCCN(C)C(=O)NCCC(C)(C)C(=O)[O-])CC[NH+](C)C	REAL300013870220	1	57	0.0	-71.81	421.10	6.39	-65.42
CCCN(CC[NH+]1CCCCCC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870221	0	59	0.0	-69.71	421.42	9.87	-59.84
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870226	0	53	0.0	-74.42	403.89	8.44	-65.98
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870226	1	53	0.0	-73.68	403.98	8.42	-65.26
CCCC[N@H+](C)C[C@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870241	0	52	0.0	-70.56	388.58	7.05	-63.51
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870241	1	52	0.0	-70.87	388.59	7.07	-63.80
CCC[N@H+](C)CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013870272	0	53	0.0	-73.01	390.93	8.15	-64.86
CCC[N@@H+](C)CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013870272	1	53	0.0	-73.30	390.27	8.13	-65.17
CC(C)(CCNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013870280	0	54	0.0	-75.07	404.21	8.95	-66.12
CC(C)(CCNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013870280	1	54	0.0	-74.97	404.74	8.97	-66.00
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870292	0	57	0.0	-71.16	423.82	10.47	-60.69
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870292	1	57	0.0	-71.66	425.73	10.48	-61.18
CC(C)[NH+]1CCC(N2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013870301	0	62	0.0	-71.08	433.28	7.49	-63.59
CC[N@@H+]1CCC(N(C)C(=O)NCCC(C)(C)C(=O)[O-])C(C)C1	REAL300013870322	0	53	0.0	-72.45	382.17	8.54	-63.91
CC[N@H+]1CCC(N(C)C(=O)NCCC(C)(C)C(=O)[O-])C(C)C1	REAL300013870322	1	53	0.0	-72.43	382.18	8.52	-63.91
CC(C)C[N@@H+]1CCCC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013870326	0	56	0.0	-70.81	408.70	7.66	-63.15
CC(C)C[N@H+]1CCCC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013870326	1	56	0.0	-71.41	401.40	7.19	-64.22
CC(C)(CCNC(=O)N1CCC2C(CCC[N@@H+]2C2CC2)C1)C(=O)[O-]	REAL300013870333	0	55	0.0	-70.55	388.71	8.70	-61.85
CC(C)(CCNC(=O)N1CCC2C(CCC[N@H+]2C2CC2)C1)C(=O)[O-]	REAL300013870333	1	55	0.0	-70.57	383.63	8.57	-62.00
CCC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013870351	0	57	0.0	-70.36	417.53	10.24	-60.12
CCC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013870351	1	57	0.0	-70.20	418.55	10.26	-59.94
C[NH+](C)CC1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCC1	REAL300013870360	0	53	0.0	-70.24	377.28	7.06	-63.18
C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCC(C)(C)C(=O)[O-])C[C@H](C)O1	REAL300013870395	1	54	0.0	-68.73	395.23	7.03	-61.70
C[C@@H]1C[N@H+](CCN(C)C(=O)NCCC(C)(C)C(=O)[O-])C[C@H](C)O1	REAL300013870395	1	54	0.0	-68.67	401.48	6.98	-61.69
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870396	1	54	0.0	-67.93	394.42	6.83	-61.10
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870396	1	54	0.0	-68.21	394.67	6.83	-61.38
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870413	0	52	0.0	-70.82	388.62	7.08	-63.74
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870413	1	52	0.0	-70.70	388.00	7.03	-63.67
CCCC[N@H+](C)CC(C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870416	0	52	0.0	-70.80	388.68	7.07	-63.73
CCCC[N@@H+](C)CC(C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870416	1	52	0.0	-70.95	388.57	7.07	-63.88
CC1=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013870425	1	53	0.0	-62.98	409.93	5.96	-57.02
CSC1(CNC(=O)NCCC(C)(C)C(=O)[O-])CC[NH+](C)CC1	REAL300013870427	0	51	0.0	-72.95	381.32	6.36	-66.59
CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013870444	0	57	0.0	-68.33	413.16	10.76	-57.57
CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013870444	1	57	0.0	-70.43	411.97	10.20	-60.23
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870449	0	60	0.0	-71.02	447.14	11.54	-59.48
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870449	1	60	0.0	-74.27	447.95	11.48	-62.79
CC1=[NH+]C=CN1CCCN(C)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870472	1	48	0.0	-64.30	374.79	8.34	-55.96
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013870487	0	56	0.0	-75.45	418.31	7.34	-68.11
CC1CC(CNC(=O)NCCC(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013870490	0	57	0.0	-72.34	431.72	8.92	-63.42
CC1CC(CNC(=O)NCCC(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013870490	1	57	0.0	-72.34	431.72	8.92	-63.42
CCCN(CC[NH+](CC)CC)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870513	0	55	0.0	-67.36	396.83	8.72	-58.64
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870524	0	54	0.0	-73.03	412.29	8.42	-64.61
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870524	1	54	0.0	-72.37	408.76	8.81	-63.56
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870548	0	53	0.0	-68.97	369.71	6.51	-62.46
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870548	1	53	0.0	-68.86	369.95	6.57	-62.29
CC(C)(CCNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013870557	0	54	0.0	-73.95	410.78	8.27	-65.68
CC(C)(CCNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013870557	1	54	0.0	-74.41	413.32	8.34	-66.07
CC(C)(CCNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013870570	0	55	0.0	-77.60	409.76	9.74	-67.86
CC(C)(CCNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013870570	1	55	0.0	-78.12	411.78	9.88	-68.24
CC(C)(CCNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013870576	0	60	0.0	-73.28	438.58	9.84	-63.44
CC(C)(CCNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013870576	1	60	0.0	-73.57	439.09	9.75	-63.82
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870583	0	52	0.0	-67.85	374.85	7.27	-60.58
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870583	1	52	0.0	-68.24	380.40	6.67	-61.57
CCC[N@H+](CC)C[C@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870588	0	52	0.0	-68.37	384.47	6.95	-61.42
CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870588	1	52	0.0	-68.51	384.18	6.96	-61.55
CC1CCCC[N@@H+]1CC1CCCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013870625	0	60	0.0	-68.42	421.75	10.08	-58.34
CC1CCCC[N@H+]1CC1CCCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013870625	1	60	0.0	-69.40	415.16	9.76	-59.64
CC(C)[N@@H+]1C2CCC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC2	REAL300013870649	0	54	0.0	-64.59	359.17	7.53	-57.06
CC(C)[N@H+]1C2CCC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC2	REAL300013870649	1	54	0.0	-62.77	375.43	8.20	-54.57
CC(C)(CCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013870651	0	58	0.0	-71.42	422.23	8.59	-62.83
CC(C)(CCNC(=O)N1CCC(C[NH+]2CCCC2)C1)C(=O)[O-]	REAL300013870657	0	51	0.0	-72.61	371.11	7.55	-65.06
C[N@H+](CC1CC1)CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013870663	0	54	0.0	-73.63	402.74	8.96	-64.67
C[N@@H+](CC1CC1)CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013870663	1	54	0.0	-73.63	402.72	8.96	-64.67
CC(C)[NH+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])C(C)C	REAL300013870664	0	55	0.0	-68.49	391.35	6.42	-62.07
CC(C)OCC[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013870666	1	54	0.0	-69.77	399.41	7.15	-62.62
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013870669	0	57	0.0	-75.18	411.33	10.91	-64.27
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013870669	1	57	0.0	-64.28	410.78	10.55	-53.73
CC(CCNC(=O)NCCC(C)(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300013870678	0	56	0.0	-71.22	417.08	8.35	-62.87
CC(CCNC(=O)NCCC(C)(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300013870678	1	56	0.0	-73.61	420.10	8.37	-65.24
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013870685	0	50	0.0	-73.65	393.85	8.65	-65.00
CC[NH+](CC)CCOC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013870694	0	57	0.0	-70.47	421.83	7.63	-62.84
CC(C)(CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013870700	0	60	0.0	-72.32	431.98	10.26	-62.06
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870705	1	57	0.0	-72.02	395.10	6.83	-65.19
CC1CC[NH+](C2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013870718	0	60	0.0	-71.63	428.46	8.52	-63.11
CC1CC(CCNC(=O)NCCC(C)(C)C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013870727	0	60	0.0	-72.36	452.01	9.59	-62.77
CC1CC(CCNC(=O)NCCC(C)(C)C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013870727	1	60	0.0	-72.82	453.49	9.60	-63.22
C[NH+](C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870729	0	60	0.0	-81.99	459.37	6.12	-75.87
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013870777	0	53	0.0	-78.07	419.61	8.24	-69.83
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870778	0	59	0.0	-74.04	438.96	9.78	-64.26
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870778	1	59	0.0	-75.28	435.32	9.27	-66.01
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+](C2CCC2)C1	REAL300013870832	0	54	0.0	-67.90	381.55	9.19	-58.71
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+](C2CCC2)C1	REAL300013870832	1	54	0.0	-65.28	376.87	9.37	-55.91
CC(C)(CCNC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013870848	0	54	0.0	-69.03	405.02	7.92	-61.11
CC(C)(CCNC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013870848	1	54	0.0	-69.00	404.94	7.93	-61.07
CC(C)(CCNC(=O)NC(C[NH+]1CCCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013870858	0	57	0.0	-70.76	427.55	9.94	-60.82
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013870866	0	56	0.0	-72.76	422.60	10.48	-62.28
C[NH+](C)CCOC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013870867	0	54	0.0	-70.73	399.20	7.23	-63.50
CN1CCC([N@@H+]2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C2)CC1	REAL300013870868	0	56	0.0	-71.61	409.30	4.74	-66.87
CN1CCC([N@H+]2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C2)CC1	REAL300013870868	1	56	0.0	-71.96	409.09	4.75	-67.21
C[NH+]1CCC(N2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C2)CC1	REAL300013870868	1	56	0.0	-72.31	402.26	4.44	-67.87
CC(C)(CCNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1CO)C(=O)[O-]	REAL300013870881	0	58	0.0	-71.61	434.69	6.33	-65.28
CC(C)(CCNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO)C(=O)[O-]	REAL300013870881	1	58	0.0	-71.48	427.46	5.37	-66.11
CC(C)(CCNC(=O)N1CCC2(C1)CCC[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300013870883	0	61	0.0	-77.94	445.33	11.11	-66.83
CC(C)(CCNC(=O)N1CCC2(C1)CCC[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300013870883	1	61	0.0	-69.73	446.01	11.29	-58.44
CC(C)(CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300013870889	0	57	0.0	-70.21	407.63	7.91	-62.30
CC(C)OCC[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013870897	0	57	0.0	-70.03	424.65	6.43	-63.60
CC(C)(CCNC(=O)N1CC[NH+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013870903	0	52	0.0	-72.43	373.62	6.21	-66.22
CC(C)(CCNC(=O)NCCCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300013870908	0	59	0.0	-71.14	442.60	8.71	-62.43
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870923	0	56	0.0	-75.17	409.78	9.41	-65.76
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870923	1	56	0.0	-73.78	409.51	9.34	-64.44
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CCCCC1[N@H+](C)C1CCN(C)CC1	REAL300013870927	0	68	0.0	-64.02	452.94	7.84	-56.18
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CCCCC1[N@@H+](C)C1CCN(C)CC1	REAL300013870927	1	68	0.0	-62.53	445.63	8.08	-54.45
CC(C)(CCNC(=O)N1CCN(C2=CC=[NH+]C=C2Cl)CC1)C(=O)[O-]	REAL300013870930	1	47	0.0	-72.79	375.60	6.35	-66.44
CC(CC[NH+]1CCN(C)CC1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870968	0	55	0.0	-71.72	407.41	4.69	-67.03
CC(CCN1CC[NH+](C)CC1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013870968	1	55	0.0	-71.33	408.32	4.85	-66.48
CN1CC[NH+](CCC(C)(C)NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013870970	0	58	0.0	-74.92	414.20	4.60	-70.32
C[NH+]1CCN(CCC(C)(C)NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013870970	1	58	0.0	-73.08	415.68	4.76	-68.32
CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013870975	0	57	0.0	-64.90	424.58	10.82	-54.08
CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013870975	1	57	0.0	-64.87	424.08	10.60	-54.27
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CC[N@@H+](C2CCN(C)CC2)C1	REAL300013870976	0	59	0.0	-71.28	422.51	6.73	-64.55
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CC[N@H+](C2CCN(C)CC2)C1	REAL300013870976	1	59	0.0	-70.87	420.49	6.97	-63.90
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CCN(C2CC[NH+](C)CC2)C1	REAL300013870976	1	59	0.0	-73.41	422.18	6.66	-66.75
CC(C)(CCNC(=O)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2)C(=O)[O-]	REAL300013871018	0	61	0.0	-75.60	444.68	10.94	-64.66
CCC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+](CC)CC)C=C1	REAL300013871021	0	62	0.0	-65.66	454.52	9.62	-56.04
CC(C)(CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C(=O)[O-]	REAL300013871022	0	57	0.0	-77.43	419.46	4.21	-73.22
CC(C)(CCNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C2CCCCC21)C(=O)[O-]	REAL300013871030	0	61	0.0	-70.17	424.44	10.63	-59.54
CC(C)(CCNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C2CCCCC21)C(=O)[O-]	REAL300013871030	1	61	0.0	-70.35	424.36	10.63	-59.72
C[N@@H+]1CCCC(N2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C1	REAL300013871053	0	56	0.0	-72.58	398.78	6.27	-66.31
C[N@H+]1CCCC(N2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C1	REAL300013871053	1	56	0.0	-73.32	391.74	5.84	-67.48
CC1CCC([NH+]2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013871067	0	57	0.0	-70.53	403.22	9.21	-61.32
CCOCCC[N@@H+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C(C)C1	REAL300013871069	0	60	0.0	-74.62	441.96	7.53	-67.09
CCOCCC[N@H+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C(C)C1	REAL300013871069	1	60	0.0	-73.33	436.96	7.00	-66.33
CC(C)(CCNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013871070	0	57	0.0	-76.23	420.94	3.33	-72.90
CC(C)(CCNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013871070	1	57	0.0	-75.61	422.00	3.39	-72.22
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013871074	0	57	0.0	-70.23	423.75	9.12	-61.11
C[NH+](C)C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCSC1	REAL300013871085	0	48	0.0	-69.11	353.53	5.70	-63.41
CC(C)(CCNC(=O)N1CC[NH+](C2CC3CCC2C3)CC1)C(=O)[O-]	REAL300013871094	0	55	0.0	-69.78	387.02	9.12	-60.66
CC[N@@H+]1CCC(N(C)C(=O)NCCC(C)(C)C(=O)[O-])CC1C	REAL300013871096	0	53	0.0	-67.79	368.73	7.97	-59.82
CC[N@H+]1CCC(N(C)C(=O)NCCC(C)(C)C(=O)[O-])CC1C	REAL300013871096	1	53	0.0	-67.97	368.14	7.94	-60.03
C[N@H+](CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300013871106	0	50	0.0	-79.90	391.63	7.27	-72.63
C[N@@H+](CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1=CC=C(F)C=C1	REAL300013871106	1	50	0.0	-79.73	392.25	7.27	-72.46
C[NH+](C)CCCOC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013871107	0	57	0.0	-74.18	421.24	7.84	-66.34
CC(C)(CCNC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300013871113	0	54	0.0	-69.92	393.97	7.42	-62.50
C[NH+]1CCC(C2CCN(C(=O)NCCC(C)(C)C(=O)[O-])C2)CC1	REAL300013871116	0	54	0.0	-74.52	394.84	8.42	-66.10
CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013871179	0	59	0.0	-74.86	409.08	7.46	-67.40
CC(C)(CCNC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300013871199	0	57	0.0	-69.22	399.86	7.25	-61.97
CC(C)(CCNC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300013871199	1	57	0.0	-68.81	397.25	8.47	-60.34
CC(C)(CCNC(=O)NCC1(C)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013871204	0	57	0.0	-73.80	430.71	9.04	-64.76
CC(C)(CCNC(=O)NCC1(C)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013871204	1	57	0.0	-73.44	430.43	9.07	-64.37
C[N@@H+]1CCCC2(CCN(C(=O)NCCC(C)(C)C(=O)[O-])C2)C1	REAL300013871216	0	51	0.0	-76.22	368.82	7.72	-68.50
C[N@H+]1CCCC2(CCN(C(=O)NCCC(C)(C)C(=O)[O-])C2)C1	REAL300013871216	1	51	0.0	-76.70	370.41	7.52	-69.18
CC(C)C1=CC=C(C[NH+]2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013871222	1	60	0.0	-73.09	443.14	11.11	-61.98
CC(C)(CCNC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300013871225	0	53	0.0	-71.37	399.60	7.14	-64.23
CC(C)(CCNC(=O)NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013871240	0	55	0.0	-76.33	419.55	5.25	-71.08
CC(C)(CCNC(=O)NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013871240	1	55	0.0	-76.87	419.70	5.21	-71.66
COCC[NH+]1C2CCC1CC(N(C)C(=O)NCCC(C)(C)C(=O)[O-])C2	REAL300013871248	0	58	0.0	-62.50	388.50	5.75	-56.75
C[NH+](C)CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C(C)(C)C	REAL300013871262	0	55	0.0	-73.96	395.75	6.95	-67.01
CC(C)[N@@H+]1CCOC(CN2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C1	REAL300013871289	0	63	0.0	-72.52	451.00	6.22	-66.30
CC(C)[N@H+]1CCOC(CN2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C1	REAL300013871289	1	63	0.0	-72.45	444.85	6.18	-66.27
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013871294	0	57	0.0	-74.23	423.77	9.66	-64.57
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013871294	1	57	0.0	-73.31	418.39	9.36	-63.95
C[NH+]1CCC(N(CC2=CC=CC=C2)C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013871296	0	57	0.0	-70.84	420.66	11.01	-59.83
CC(C)(CCNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300013871300	0	58	0.0	-69.79	432.81	6.59	-63.20
CC(C)(CCNC(=O)N1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013871314	0	52	0.0	-76.04	378.96	6.33	-69.71
CC1=CC(N2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013871316	1	55	0.0	-66.96	420.38	6.12	-60.84
CC(C)[NH+]1CCN(C2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013871341	0	62	0.0	-69.05	426.74	6.97	-62.08
CC(C)N1CC[NH+](C2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013871341	1	62	0.0	-71.40	431.03	7.22	-64.18
CC(C)(CCNC(=O)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1)C(=O)[O-]	REAL300013871354	0	61	0.0	-76.68	443.36	11.20	-65.48
CC(C)(CCNC(=O)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1)C(=O)[O-]	REAL300013871354	1	61	0.0	-77.06	443.48	11.19	-65.87
C[N@@H+]1CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013871363	0	54	0.0	-78.19	434.14	8.99	-69.20
C[N@H+]1CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1C1=CC=C(Cl)C(F)=C1	REAL300013871363	1	54	0.0	-77.17	433.82	9.07	-68.10
C[NH+](C)CCOC1=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=CC=N1	REAL300013871364	0	53	0.0	-70.06	416.33	4.43	-65.63
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1CC1	REAL300013871378	0	57	0.0	-71.95	421.54	10.24	-61.71
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1CC1	REAL300013871378	1	57	0.0	-70.81	430.18	9.61	-61.20
CC(C)(CCNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300013871435	0	60	0.0	-72.74	419.14	7.99	-64.75
C[N@@H+]1CCN(CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1(C)C	REAL300013871436	0	55	0.0	-67.44	391.45	3.92	-63.52
C[N@H+]1CCN(CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1(C)C	REAL300013871436	1	55	0.0	-68.79	393.96	4.08	-64.71
CSC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013871453	0	54	0.0	-74.21	419.90	8.25	-65.96
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+](C2CC2)C1	REAL300013871456	0	51	0.0	-70.26	369.14	7.97	-62.29
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+](C2CC2)C1	REAL300013871456	1	51	0.0	-66.92	370.65	8.85	-58.07
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013871486	1	58	0.0	-74.04	435.43	7.04	-67.00
CC1CC(NC(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013871516	0	57	0.0	-71.17	424.91	8.92	-62.25
CC1CC(NC(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013871516	1	57	0.0	-70.91	420.88	9.28	-61.63
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013871519	0	68	0.0	-69.66	477.52	8.75	-60.91
CC(C)(CCNC(=O)NC1CCC([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013871532	0	57	0.0	-70.70	408.19	7.91	-62.79
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013871533	0	63	0.0	-77.55	462.26	6.08	-71.47
CC(C)CC[NH+]1CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013871536	0	59	0.0	-73.37	429.92	8.25	-65.12
COC1CC[NH+](CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013871537	0	51	0.0	-73.64	383.48	4.51	-69.13
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC1[NH+]1CCOCC1	REAL300013871539	1	52	0.0	-71.97	378.65	5.73	-66.24
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CCC1[NH+]1CCN(C)CC1	REAL300013871556	0	59	0.0	-71.60	412.23	6.97	-64.63
CC(C)(CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(=O)[O-]	REAL300013871560	0	57	0.0	-72.20	413.31	8.19	-64.01
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013871577	0	57	0.0	-69.20	414.26	10.21	-58.99
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013871577	1	57	0.0	-71.13	412.23	10.57	-60.56
CCCC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+]1CCOC	REAL300013871580	0	57	0.0	-67.96	412.81	7.26	-60.70
CCCC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1CCOC	REAL300013871580	1	57	0.0	-69.80	408.18	7.48	-62.32
COCC[N@H+](C)CCCC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013871581	0	63	0.0	-72.51	456.96	8.96	-63.55
COCC[N@@H+](C)CCCC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013871581	1	63	0.0	-73.53	456.40	8.95	-64.58
C[NH+](C)CCCC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013871582	0	56	0.0	-74.09	406.07	9.09	-65.00
CC(C)(CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013871628	0	55	0.0	-70.35	396.60	7.19	-63.16
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013871640	0	56	0.0	-70.74	409.83	7.76	-62.98
CC(C)(CCNC(=O)NCC1CCC[N@@H+]1CCCO)C(=O)[O-]	REAL300013871641	0	51	0.0	-70.71	379.59	2.46	-68.25
CC(C)(CCNC(=O)NCC1CCC[N@H+]1CCCO)C(=O)[O-]	REAL300013871641	1	51	0.0	-70.49	383.25	3.24	-67.25
CC(C)(CCNC(=O)NC1CCC[N@H+](CCCO)C1)C(=O)[O-]	REAL300013871645	0	51	0.0	-75.09	378.81	3.48	-71.61
CC(C)(CCNC(=O)NC1CCC[N@@H+](CCCO)C1)C(=O)[O-]	REAL300013871645	1	51	0.0	-74.72	382.27	2.93	-71.79
CC(C)C[N@@H+]1CCOC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013871670	0	54	0.0	-72.92	402.10	5.33	-67.59
CC(C)C[N@H+]1CCOC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013871670	1	54	0.0	-72.95	401.23	5.37	-67.58
CC(C)(CCNC(=O)N1CC[NH+](CC2=CC=CC3=CC=CC=C32)CC1)C(=O)[O-]	REAL300013871683	0	57	0.0	-74.84	425.04	11.38	-63.46
C[N@@H+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013871688	1	51	0.0	-74.88	377.71	8.85	-66.03
C[N@H+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013871688	1	51	0.0	-74.97	377.88	8.75	-66.22
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013871696	0	53	0.0	-72.61	401.82	9.81	-62.80
C[NH+](C)CC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013871699	0	50	0.0	-74.82	389.46	7.25	-67.57
CC(C)(CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300013871717	0	55	0.0	-68.29	395.71	7.40	-60.89
CC(C)(CCNC(=O)N1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013871740	0	47	0.0	-70.47	355.10	5.42	-65.05
CC1CC[NH+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013871747	0	53	0.0	-72.32	392.67	6.87	-65.45
C[N@H+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013871752	0	53	0.0	-75.21	407.29	7.99	-67.22
C[N@@H+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013871752	1	53	0.0	-75.37	406.67	7.98	-67.39
CC[NH+](CC)CC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013871764	0	56	0.0	-72.56	418.89	8.27	-64.29
CC(C)(CCNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013871765	0	54	0.0	-79.46	424.65	8.92	-70.54
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013871771	0	56	0.0	-63.82	413.79	8.52	-55.30
CC(C)(CCNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013871772	0	57	0.0	-73.39	430.72	9.05	-64.34
CC(C)(CCNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300013871811	0	54	0.0	-64.58	408.48	8.61	-55.97
CC[NH+](CC)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300013871860	0	60	0.0	-67.03	439.52	7.15	-59.88
CC(C)(CCNC(=O)N1CC[NH+](CCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013871864	1	54	0.0	-75.96	406.06	10.05	-65.91
CC(C)(CCNC(=O)N1CCC[N@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013871868	0	54	0.0	-71.08	397.79	10.43	-60.65
CC(C)(CCNC(=O)N1CCC[N@@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013871868	1	54	0.0	-71.40	397.88	10.47	-60.93
CC(C)(CCNC(=O)N1CCC[N@H+](CC2=CC=C(C#N)C=C2)CC1)C(=O)[O-]	REAL300013871869	0	55	0.0	-83.52	418.14	10.78	-72.74
CC(C)(CCNC(=O)N1CCC[N@@H+](CC2=CC=C(C#N)C=C2)CC1)C(=O)[O-]	REAL300013871869	1	55	0.0	-83.50	418.69	10.79	-72.71
CC1=CC=C(C[N@@H+]2CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013871870	0	57	0.0	-71.99	418.65	11.08	-60.91
CC1=CC=C(C[N@H+]2CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013871870	1	57	0.0	-71.46	419.04	11.12	-60.34
COCC[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013871876	1	48	0.0	-69.52	357.28	5.44	-64.08
CC(C)(CCNC(=O)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013871884	1	54	0.0	-77.12	404.03	10.51	-66.61
CC(C)(CCNC(=O)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013871884	1	54	0.0	-77.18	404.25	10.47	-66.71
COC1=CC=C(C[N@@H+]2CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013871885	0	58	0.0	-73.80	427.34	9.70	-64.10
COC1=CC=C(C[N@H+]2CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013871885	1	58	0.0	-75.14	427.11	9.73	-65.41
CC(C)(CCNC(=O)N1CCC[N@H+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013871886	1	54	0.0	-76.45	414.35	10.96	-65.49
CC(C)(CCNC(=O)N1CCC[N@@H+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013871886	1	54	0.0	-76.05	414.57	10.93	-65.12
CC(C)(CCNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300013871899	1	51	0.0	-67.81	393.08	3.84	-63.97
CC1C[NH+](C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])CC(C)O1	REAL300013871901	1	57	0.0	-66.23	401.90	5.66	-60.57
C[NH+]1CCN(C2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013871928	0	55	0.0	-74.67	421.00	5.81	-68.86
CC1C[NH+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])CC(C)O1	REAL300013871937	0	54	0.0	-75.08	404.84	5.32	-69.76
CC(C)C[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013871941	0	53	0.0	-70.31	388.86	6.97	-63.34
CC(C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCOCC1	REAL300013871946	1	54	0.0	-68.71	386.21	5.67	-63.04
CC(C)(CCNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300013871947	1	53	0.0	-66.91	402.07	6.31	-60.60
CC(C)(CCNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300013871948	1	50	0.0	-67.45	386.99	5.39	-62.06
CCC(CC)C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCOCC1	REAL300013871951	0	60	0.0	-67.72	413.78	6.31	-61.41
CC(C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCN(C)CC1	REAL300013871953	0	58	0.0	-68.05	409.12	5.49	-62.56
CC(C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])N1CC[NH+](C)CC1	REAL300013871953	1	58	0.0	-71.64	411.33	4.86	-66.78
CC[NH+](CC)C(CNC(=O)NCCC(C)(C)C(=O)[O-])CC(C)C	REAL300013871954	0	58	0.0	-65.27	401.23	7.37	-57.90
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013871957	0	54	0.0	-69.06	402.80	9.05	-60.01
CC(C)(CCNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013871961	0	54	0.0	-68.91	407.78	8.43	-60.48
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013871968	0	60	0.0	-67.03	463.69	10.66	-56.37
CC(C)(CCNC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300013871973	1	57	0.0	-78.32	435.13	6.81	-71.51
CC(C)CN(CC[NH+](C)C)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013871986	0	52	0.0	-69.62	384.73	8.32	-61.30
CC(C)(CCNC(=O)N1CCC([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013871988	0	54	0.0	-71.12	378.74	8.40	-62.72
CC(C)(CCNC(=O)N1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300013871995	0	51	0.0	-69.43	368.27	8.14	-61.29
CC(C)(CCNC(=O)N1CCC([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013871997	0	51	0.0	-71.52	361.78	7.65	-63.87
CC(C)(CCNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013872005	1	51	0.0	-73.02	383.48	9.18	-63.84
CC(C)(CCNC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300013872014	1	48	0.0	-74.75	362.96	3.87	-70.88
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872030	1	60	0.0	-71.67	435.96	9.05	-62.62
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872030	1	60	0.0	-69.62	436.58	9.05	-60.57
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872031	0	57	0.0	-70.69	413.98	11.09	-59.60
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872031	1	57	0.0	-70.67	414.23	11.04	-59.63
CC(C)(CCNC(=O)NC1CC[NH+](CCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013872040	0	57	0.0	-75.67	430.89	9.29	-66.38
C[NH+](C)CCN1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872041	0	55	0.0	-72.91	404.37	4.42	-68.49
CN(C)CC[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872041	1	55	0.0	-72.26	404.93	4.30	-67.96
CC(C)(CCNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013872042	0	53	0.0	-71.47	404.40	6.63	-64.84
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872043	0	57	0.0	-74.20	424.84	9.10	-65.10
CC1CC[NH+](CC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013872045	0	60	0.0	-74.24	451.92	9.72	-64.52
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013872046	0	60	0.0	-71.15	447.11	9.57	-61.58
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013872046	1	60	0.0	-71.06	447.70	9.60	-61.46
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872047	0	60	0.0	-62.88	434.10	9.52	-53.36
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872047	1	60	0.0	-61.99	437.81	10.40	-51.59
CC1C[NH+](CC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC(C)O1	REAL300013872048	0	61	0.0	-76.20	464.34	8.13	-68.07
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)C1	REAL300013872049	0	60	0.0	-73.61	451.34	9.69	-63.92
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)C1	REAL300013872049	1	60	0.0	-73.54	451.87	9.70	-63.84
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013872050	0	60	0.0	-64.87	444.97	9.93	-54.94
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013872050	1	60	0.0	-63.51	442.80	10.62	-52.89
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872051	0	56	0.0	-64.89	417.56	8.65	-56.24
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872051	1	56	0.0	-62.78	413.22	9.15	-53.63
C[NH+](C)CCOC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013872052	0	54	0.0	-73.43	418.75	7.02	-66.41
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013872053	0	54	0.0	-72.86	419.34	7.03	-65.83
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013872059	1	58	0.0	-83.11	444.39	7.08	-76.03
CC1CCN(C2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=[NH+]2)CC1	REAL300013872062	1	56	0.0	-65.49	423.43	6.89	-58.60
CC(C)(CCNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300013872063	1	50	0.0	-64.76	382.96	5.40	-59.36
CC(C)(CCNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300013872064	1	51	0.0	-69.19	393.12	3.87	-65.32
CC(C)(CCNC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013872067	0	54	0.0	-72.76	408.83	8.46	-64.30
CCN(CC)C1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=[NH+]1	REAL300013872094	1	52	0.0	-63.82	404.58	7.40	-56.42
C[NH+]1CCN(C2=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=CC=N2)CC1	REAL300013872095	0	55	0.0	-72.87	421.05	5.82	-67.05
CC(C)(CCNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013872096	1	56	0.0	-64.69	413.98	6.64	-58.05
CC1CN(C2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=[NH+]2)CCO1	REAL300013872097	1	54	0.0	-67.93	414.60	4.38	-63.55
CC(C)(CCNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013872098	1	53	0.0	-65.22	401.75	6.11	-59.11
CC(C)(CCNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300013872122	1	51	0.0	-71.16	395.76	4.14	-67.02
CC(C)(CCNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300013872123	0	54	0.0	-71.82	415.42	8.43	-63.39
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013872124	0	56	0.0	-70.98	425.64	8.60	-62.38
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872138	0	56	0.0	-72.86	425.96	10.69	-62.17
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872139	0	54	0.0	-79.40	428.30	10.44	-68.96
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013872176	0	60	0.0	-71.84	454.54	8.37	-63.47
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872177	0	60	0.0	-65.91	449.65	8.13	-57.78
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013872179	0	58	0.0	-73.54	438.15	6.48	-67.06
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013872180	0	62	0.0	-72.26	465.32	7.31	-64.95
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013872180	1	62	0.0	-74.71	465.10	7.33	-67.38
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872181	0	62	0.0	-61.34	461.05	8.37	-52.97
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872181	1	62	0.0	-63.30	456.56	8.24	-55.06
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)C1	REAL300013872183	0	63	0.0	-73.91	472.70	10.29	-63.62
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013872184	0	63	0.0	-63.55	463.63	11.21	-52.34
CC(C)(CCNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1)C(=O)[O-]	REAL300013872194	1	57	0.0	-69.01	440.92	8.42	-60.59
CC(C)(CCNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013872196	0	54	0.0	-69.72	420.74	9.62	-60.10
C[NH+]1CCN(C(=O)CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872197	1	51	0.0	-85.83	388.88	4.47	-81.36
CC[NH+](CC)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CSC=C1	REAL300013872201	0	53	0.0	-65.80	394.61	7.90	-57.90
CC(C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300013872202	0	59	0.0	-67.37	415.28	8.79	-58.58
CC[NH+](CC)C(CNC(=O)NCCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013872204	0	59	0.0	-65.99	427.73	8.81	-57.18
CC(C)(CCNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013872205	0	64	0.0	-80.80	472.08	8.02	-72.78
CC(C)(CCNC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013872206	0	51	0.0	-75.35	388.39	7.64	-67.71
CC(C)(CCNC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013872206	1	51	0.0	-75.11	388.38	7.62	-67.49
CN(C)C1=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=CC=[NH+]1	REAL300013872208	0	46	0.0	-65.38	360.63	5.50	-59.88
CN(C)C1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=[NH+]1	REAL300013872209	1	46	0.0	-64.64	361.84	5.46	-59.18
CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013872210	0	57	0.0	-70.23	415.81	9.59	-60.64
CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013872210	1	57	0.0	-70.18	414.59	9.64	-60.54
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300013872211	0	56	0.0	-70.45	392.85	7.99	-62.46
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CSC=C1	REAL300013872213	0	47	0.0	-71.87	371.92	6.22	-65.65
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@@H+]1CCCC(C)C1	REAL300013872214	0	53	0.0	-66.97	376.35	7.04	-59.93
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@H+]1CCCC(C)C1	REAL300013872214	1	53	0.0	-67.52	383.67	7.03	-60.49
C[N@H+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300013872215	0	56	0.0	-72.28	406.68	7.44	-64.84
C[N@@H+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300013872215	1	56	0.0	-72.29	406.68	7.45	-64.84
CC1CC(C)C[NH+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013872217	0	56	0.0	-72.06	413.94	7.47	-64.59
CC(C)(CCNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013872218	0	54	0.0	-76.41	410.47	8.42	-67.99
CC(C)(CCNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013872218	1	54	0.0	-76.56	409.88	8.42	-68.14
CC(C)(CCNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013872221	0	54	0.0	-70.27	406.72	9.75	-60.52
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013872224	0	50	0.0	-71.21	380.28	7.24	-63.97
CC(C)[NH+](CCNC(=O)NCCC(C)(C)C(=O)[O-])C(C)C	REAL300013872225	0	52	0.0	-66.86	369.72	5.62	-61.24
CN1CC[N@H+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013872248	0	62	0.0	-73.31	451.76	6.63	-66.68
CN1CC[N@@H+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013872248	1	62	0.0	-72.12	462.18	7.23	-64.89
C[N@@H+]1CCN(CCCNC(=O)NCCC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013872248	1	62	0.0	-76.93	456.74	7.16	-69.77
C[N@H+]1CCN(CCCNC(=O)NCCC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)C1	REAL300013872248	1	62	0.0	-77.01	457.19	7.30	-69.71
CC(C)(CCNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013872249	0	59	0.0	-77.21	441.07	7.21	-70.00
CC(C)(CCNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013872250	0	62	0.0	-74.43	465.40	7.36	-67.07
CC(C)(CCNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013872250	1	62	0.0	-75.32	464.84	7.40	-67.92
CC(C)(CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013872251	0	55	0.0	-76.30	395.84	7.18	-69.12
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872258	0	66	0.0	-80.84	481.77	8.22	-72.62
C[NH+](C)C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCCC1	REAL300013872307	0	53	0.0	-69.21	364.50	7.11	-62.10
CC1CC[NH+](CCCCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872308	0	56	0.0	-72.47	413.58	7.64	-64.83
CC1CCCC[N@@H+]1CCCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872309	0	56	0.0	-69.92	410.45	7.54	-62.38
CC1CCCC[N@H+]1CCCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872309	1	56	0.0	-70.43	403.70	7.24	-63.19
CC1CCC[N@H+](CCCCNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013872310	0	56	0.0	-71.83	414.61	7.65	-64.18
CC1CCC[N@@H+](CCCCNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013872310	1	56	0.0	-71.64	407.88	7.69	-63.95
CCN1CC[NH+](CCCCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872311	0	58	0.0	-72.94	427.79	5.27	-67.67
CC[NH+]1CCN(CCCCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872311	1	58	0.0	-70.89	427.87	5.27	-65.62
CC1CC(C)C[NH+](CCCCNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013872313	0	59	0.0	-72.29	435.44	8.24	-64.05
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013872330	1	59	0.0	-72.66	429.22	7.00	-65.66
CC(C)(CCNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013872331	1	56	0.0	-78.84	426.00	6.47	-72.37
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])CC2)=C1	REAL300013872333	0	62	0.0	-77.49	461.89	7.87	-69.62
CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872334	1	57	0.0	-75.03	430.06	4.87	-70.16
C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013872336	1	58	0.0	-86.12	420.32	7.52	-78.60
C=CC[NH+](CC=C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C(C)C	REAL300013872349	0	57	0.0	-65.39	411.91	8.41	-56.98
COC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013872350	0	58	0.0	-72.02	435.10	7.62	-64.40
CC(C)(CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300013872351	0	60	0.0	-66.78	405.94	8.92	-57.86
COC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013872352	0	54	0.0	-73.88	409.20	6.53	-67.35
CC(C)(CCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300013872371	0	54	0.0	-67.20	400.64	7.29	-59.91
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CO1	REAL300013872372	1	47	0.0	-70.13	362.78	5.77	-64.36
CC(C)(CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013872376	0	58	0.0	-67.62	400.99	5.76	-61.86
COC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300013872377	0	61	0.0	-69.51	444.51	8.03	-61.48
COC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1OC	REAL300013872386	0	58	0.0	-76.43	435.87	7.35	-69.08
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CS1	REAL300013872389	0	47	0.0	-69.87	364.75	6.00	-63.87
CC(C)(CCNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300013872422	0	51	0.0	-67.88	383.30	6.50	-61.38
CC(C)(CCNC(=O)NCC(C)(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300013872431	0	53	0.0	-65.07	374.95	6.63	-58.44
COC1=CC=CC=C1C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCCC1	REAL300013872439	0	58	0.0	-65.85	428.80	8.42	-57.43
CC1CC[NH+](C(CNC(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CS2)CC1	REAL300013872440	0	57	0.0	-66.80	434.57	8.82	-57.98
CC[NH+](CC)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300013872442	0	56	0.0	-70.05	413.54	8.75	-61.30
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013872443	0	53	0.0	-69.02	393.10	8.63	-60.39
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC(F)=C1	REAL300013872446	0	50	0.0	-76.16	387.17	7.32	-68.84
CCC1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013872447	0	56	0.0	-71.33	423.19	8.68	-62.65
CC(C)(CCNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013872450	0	59	0.0	-74.07	444.29	6.65	-67.42
C[NH+]1CCN(C(CNC(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CS2)CC1	REAL300013872451	1	56	0.0	-69.62	426.46	5.70	-63.92
CC[NH+](CC)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013872452	0	56	0.0	-66.10	406.47	8.34	-57.76
CC(C)(CCNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300013872453	0	51	0.0	-67.31	389.96	7.05	-60.26
CC(C)(CCNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013872475	0	51	0.0	-73.60	390.30	7.67	-65.93
CC(C)(CCNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013872475	1	51	0.0	-73.69	390.28	7.70	-65.99
CC(C)(CCNC(=O)N1CC[NH+](CC2CCCO2)CC1)C(=O)[O-]	REAL300013872480	1	52	0.0	-69.46	380.15	6.68	-62.78
COC1=CC=CC(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300013872486	0	58	0.0	-67.30	426.69	7.32	-59.98
CC(C)(CCNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300013872487	0	54	0.0	-66.06	415.92	9.16	-56.90
C[NH+](C)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300013872488	1	50	0.0	-69.77	388.27	7.95	-61.82
CC1=CC=CC(C[NH+]2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)=C1	REAL300013872490	1	54	0.0	-73.02	404.92	9.86	-63.16
CC1=CC=CC=C1C[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872498	1	54	0.0	-72.21	399.02	9.83	-62.38
C[NH+](C)CC1=CC=CC(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013872518	0	50	0.0	-73.25	389.51	7.24	-66.01
C[NH+](C)C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCCCC1	REAL300013872558	0	56	0.0	-68.83	377.44	7.15	-61.68
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872571	0	56	0.0	-68.26	431.93	10.54	-57.72
COCC[N@H+](C)CCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872581	0	50	0.0	-71.79	380.96	4.25	-67.54
COCC[N@@H+](C)CCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872581	1	50	0.0	-71.86	380.97	4.25	-67.61
CC[NH+](CC)CCN(CC(C)C)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872591	0	58	0.0	-68.35	414.30	9.64	-58.71
CC(C)CC(C[NH+](C)C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872594	0	52	0.0	-69.62	379.70	6.65	-62.97
COCC(C)(C)[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872623	0	54	0.0	-69.20	384.95	6.18	-63.02
CC(C)(CCNC(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1)C(=O)[O-]	REAL300013872645	0	55	0.0	-73.80	411.44	9.88	-63.92
CC(C)(CCNC(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1)C(=O)[O-]	REAL300013872645	1	55	0.0	-72.39	406.96	9.54	-62.85
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300013872653	0	60	0.0	-68.06	421.59	10.65	-57.41
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300013872653	1	60	0.0	-71.17	413.35	9.81	-61.36
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013872660	1	54	0.0	-69.49	396.60	5.51	-63.98
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013872660	1	54	0.0	-69.63	386.25	5.14	-64.49
CCC(C)(C)[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013872670	0	53	0.0	-67.61	367.60	7.44	-60.17
CC(C)C[N@H+](C)CCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872676	0	52	0.0	-72.32	386.71	6.53	-65.79
CC(C)C[N@@H+](C)CCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872676	1	52	0.0	-72.33	386.72	6.52	-65.81
CC[N@H+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300013872701	0	59	0.0	-71.17	419.44	7.79	-63.38
CC[N@@H+](CCCNC(=O)NCCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300013872701	1	59	0.0	-71.35	419.78	7.82	-63.53
CCCCC[N@H+](CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013872703	0	62	0.0	-72.39	456.77	9.59	-62.80
CCCCC[N@@H+](CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013872703	1	62	0.0	-72.49	456.25	9.58	-62.91
C[N@@H+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C(CC2=CC=CC=C2)C1	REAL300013872704	1	54	0.0	-79.15	402.83	10.46	-68.69
C[N@H+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C(CC2=CC=CC=C2)C1	REAL300013872704	1	54	0.0	-70.85	399.31	9.72	-61.13
CC(C)(CCNC(=O)NC1CCC[N@@H+]2CCCCC12)C(=O)[O-]	REAL300013872726	0	51	0.0	-69.92	371.98	6.85	-63.07
CC(C)(CCNC(=O)NC1CCC[N@H+]2CCCCC12)C(=O)[O-]	REAL300013872726	1	51	0.0	-69.83	367.22	7.39	-62.44
CC(C)(CCNC(=O)NC1CC[NH+](CC2=CC=CC(C#N)=C2)CC1)C(=O)[O-]	REAL300013872729	0	55	0.0	-85.74	429.63	8.85	-76.89
CC(C)(CCNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013872739	1	51	0.0	-73.02	383.48	9.18	-63.84
CC[NH+](CC)CCN(CC1=CC=C(Cl)C=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872777	0	59	0.0	-72.48	454.00	11.68	-60.80
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872791	0	53	0.0	-76.54	404.52	6.84	-69.70
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013872798	0	57	0.0	-76.83	429.97	10.36	-66.47
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013872798	1	57	0.0	-76.86	429.98	10.34	-66.52
CC(C)(CCNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013872802	0	56	0.0	-81.01	422.75	7.32	-73.69
CC[N@@H+]1CCCC(CN(C)C(=O)NCCC(C)(C)C(=O)[O-])C1C1=CN(C)N=C1	REAL300013872807	0	63	0.0	-73.76	457.89	9.41	-64.35
CC[N@H+]1CCCC(CN(C)C(=O)NCCC(C)(C)C(=O)[O-])C1C1=CN(C)N=C1	REAL300013872807	1	63	0.0	-68.99	457.97	9.13	-59.86
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872809	0	60	0.0	-70.39	437.79	5.49	-64.90
CC(C)(CCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013872817	0	58	0.0	-74.66	415.32	5.97	-68.69
CC(C)(CCNC(=O)NCC1=CC=C[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300013872842	1	50	0.0	-67.80	375.79	6.44	-61.36
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872868	0	60	0.0	-74.13	435.93	11.55	-62.58
CC(C)[C@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872868	1	60	0.0	-72.98	427.70	10.33	-62.65
CC(C[NH+]1CCC(C)CC1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013872871	0	53	0.0	-70.00	390.38	7.38	-62.62
CC(C)(CCNC(=O)NC1(C[NH+]2CCN(C3=CC=CC=C3)CC2)CC1)C(=O)[O-]	REAL300013872878	0	60	0.0	-76.50	440.33	8.15	-68.35
CC(C)(CCNC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300013872943	0	54	0.0	-70.77	392.61	7.25	-63.52
CC(C)(CCNC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300013872943	1	54	0.0	-70.39	391.82	7.16	-63.23
CC(C)(CCNC(=O)NCC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013872968	0	54	0.0	-72.95	400.77	7.76	-65.19
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013872973	1	59	0.0	-73.37	425.15	5.59	-67.78
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013872973	1	59	0.0	-75.50	433.82	6.81	-68.69
C[NH+](C)CCCC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CCO1	REAL300013872978	0	54	0.0	-69.70	400.14	7.01	-62.69
CC(C)(CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)[O-]	REAL300013872986	1	56	0.0	-71.52	401.98	5.83	-65.69
CC(C)(CCNC(=O)NC1CC[NH+](C2CCOC2)CC1)C(=O)[O-]	REAL300013872993	0	52	0.0	-74.00	382.86	4.85	-69.15
CC(C)(CCNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C(=O)[O-]	REAL300013873016	0	61	0.0	-76.30	454.19	9.97	-66.33
CC(C)(CCNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C(=O)[O-]	REAL300013873016	1	61	0.0	-75.29	454.65	9.85	-65.44
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873053	0	58	0.0	-73.11	431.36	7.71	-65.40
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873053	1	58	0.0	-67.85	430.14	7.55	-60.30
CC(C)[NH+]1CCC(CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013873056	0	56	0.0	-69.78	402.47	7.07	-62.71
CC(C)(CCNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013873058	0	60	0.0	-73.51	448.32	9.70	-63.81
CC(C)(CCNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1)C(=O)[O-]	REAL300013873064	1	51	0.0	-71.03	402.87	5.91	-65.12
CCC1([NH+]2CCOCC2)CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013873088	0	58	0.0	-70.07	393.43	6.87	-63.20
CCC1([NH+](C)C)CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013873101	0	53	0.0	-71.87	354.65	7.37	-64.50
CC(C)(CCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013873115	0	54	0.0	-68.69	373.14	7.91	-60.78
CCC1([NH+]2CCCC2)CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013873122	0	57	0.0	-67.52	387.98	8.67	-58.85
C[NH+](C)CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013873126	0	50	0.0	-70.18	414.21	8.42	-61.76
COCCN(CC1CC[NH+](C)CC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873132	0	57	0.0	-75.11	417.08	8.22	-66.89
C[NH+]1CCC2(CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013873134	0	54	0.0	-75.46	376.29	8.09	-67.37
CC(C)(CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013873136	0	55	0.0	-71.03	379.67	6.15	-64.88
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013873140	0	51	0.0	-73.33	376.03	3.59	-69.74
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013873140	1	51	0.0	-74.21	375.58	3.53	-70.68
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873149	0	57	0.0	-73.38	428.90	8.73	-64.65
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873149	1	57	0.0	-73.41	428.76	8.76	-64.65
CC(C)(CCNC(=O)NC1CCCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013873159	0	60	0.0	-74.00	428.68	9.56	-64.44
CC(C)(CCNC(=O)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013873159	1	60	0.0	-73.96	429.27	9.56	-64.40
C[NH+]1CCC(N2C=C(NC(=O)NCCC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013873180	0	51	0.0	-83.47	387.74	6.06	-77.41
CC(C)(CCNC(=O)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013873242	0	57	0.0	-69.48	421.29	9.33	-60.15
CC(C)(CCNC(=O)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013873242	1	57	0.0	-67.71	412.77	8.68	-59.03
CC(C)(CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013873252	0	57	0.0	-67.79	412.78	8.68	-59.11
CC(C)(CCNC(=O)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013873252	1	57	0.0	-68.95	421.68	9.33	-59.62
CN1CC[NH+](C2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013873254	0	56	0.0	-71.46	399.41	6.07	-65.39
C[NH+]1CCN(C2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013873254	1	56	0.0	-71.21	396.79	6.04	-65.17
C[N@@H+]1CC2=CC=CC=C2C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873257	1	48	0.0	-69.80	370.98	7.11	-62.69
C[N@H+]1CC2=CC=CC=C2C1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873257	1	48	0.0	-69.87	370.99	7.11	-62.76
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013873265	1	58	0.0	-73.67	431.23	7.41	-66.26
CC1=CC=CC=C1C[N@H+]1CCOC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013873265	1	58	0.0	-74.60	437.86	7.53	-67.07
C[NH+](C)C1(C)CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013873270	0	53	0.0	-71.67	371.28	6.06	-65.61
CC1=CC=C(C[N@@H+]2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C2)C=C1	REAL300013873290	0	54	0.0	-73.97	413.34	8.44	-65.53
CC1=CC=C(C[N@H+]2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C2)C=C1	REAL300013873290	1	54	0.0	-74.27	413.49	8.51	-65.76
CO[C@H]1C[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])N(C2=CC(C)=[NH+]C=N2)C1	REAL300013873302	1	56	0.0	-67.04	430.30	5.70	-61.34
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873303	0	60	0.0	-65.33	438.42	11.34	-53.99
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873303	1	60	0.0	-63.98	420.12	10.74	-53.24
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873305	0	59	0.0	-72.58	420.92	10.36	-62.22
CN1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2=CC=C[NH+]=C21	REAL300013873319	1	47	0.0	-62.40	353.52	6.51	-55.89
CN(CCCC[NH+]1CCCCC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873338	0	56	0.0	-69.24	410.95	9.43	-59.81
CC(C)(CCNC(=O)NC1CCC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013873340	0	60	0.0	-76.28	438.25	4.00	-72.28
CC(C)(CCNC(=O)NC1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013873340	1	60	0.0	-75.93	437.66	3.96	-71.97
CCC1=CC=C(C[NH+]2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013873359	1	57	0.0	-73.17	425.80	10.62	-62.55
C[NH+]1CCN(C2=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013873363	0	56	0.0	-75.64	422.64	6.42	-69.22
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013873365	1	54	0.0	-70.34	397.91	9.82	-60.52
CC(C)(CCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013873366	0	58	0.0	-73.68	401.08	5.07	-68.61
CCC1([NH+]2CCCCC2)CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013873374	0	60	0.0	-67.09	403.52	9.33	-57.76
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C[C@H](C)O1	REAL300013873389	0	64	0.0	-76.95	454.11	9.30	-67.65
C[C@@H]1C[N@H+](CCC2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C[C@H](C)O1	REAL300013873389	1	64	0.0	-77.13	460.42	9.29	-67.84
C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C[C@H](C)O1	REAL300013873394	0	61	0.0	-76.54	432.47	8.69	-67.85
C[C@@H]1C[N@H+](CC2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C[C@H](C)O1	REAL300013873394	1	61	0.0	-76.29	438.76	8.69	-67.60
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873404	0	60	0.0	-64.70	416.55	10.75	-53.95
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873404	1	60	0.0	-69.54	439.76	11.04	-58.50
CC(C)(CCNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013873465	0	57	0.0	-68.52	388.80	8.60	-59.92
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCCC1	REAL300013873467	0	63	0.0	-68.24	440.98	10.71	-57.53
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCCC1	REAL300013873467	1	63	0.0	-69.49	444.69	9.91	-59.58
CC(C)(CCNC(=O)N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1)C(=O)[O-]	REAL300013873469	0	58	0.0	-70.09	431.63	11.02	-59.07
CC(C)(CCNC(=O)N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1)C(=O)[O-]	REAL300013873469	1	58	0.0	-69.25	434.01	10.39	-58.86
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCOCC1	REAL300013873497	0	61	0.0	-69.68	433.32	8.38	-61.30
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCOCC1	REAL300013873497	1	61	0.0	-70.63	433.11	8.25	-62.38
CCOC(CNC(=O)NCCC(C)(C)C(=O)[O-])C[NH+](C)C	REAL300013873502	0	50	0.0	-72.81	380.29	4.60	-68.21
CC[N@@H+]1CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CCOCC1	REAL300013873541	0	54	0.0	-66.67	384.47	6.80	-59.87
CC[N@H+]1CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CCOCC1	REAL300013873541	1	54	0.0	-66.96	384.15	6.84	-60.12
CC(C)(CCNC(=O)NC1CCC[N@@H+]2CCSCC12)C(=O)[O-]	REAL300013873550	0	49	0.0	-74.29	371.44	6.57	-67.72
CC(C)(CCNC(=O)NC1CCC[N@H+]2CCSCC12)C(=O)[O-]	REAL300013873550	1	49	0.0	-73.82	367.06	7.16	-66.66
CN(C)C1=CC=[NH+]C(CNC(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300013873573	0	46	0.0	-63.86	360.50	4.33	-59.53
CC(C)(CCNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013873597	0	57	0.0	-68.89	393.48	7.60	-61.29
CCC1([NH+]2CCC2)CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013873601	0	54	0.0	-69.26	366.14	7.39	-61.87
CC(C)(CCNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1)C(=O)[O-]	REAL300013873606	0	58	0.0	-76.95	424.77	10.90	-66.05
CC(C)(CCNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1)C(=O)[O-]	REAL300013873606	1	58	0.0	-75.19	425.17	10.38	-64.81
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873619	0	50	0.0	-70.46	369.70	5.96	-64.50
C[NH+](C)CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CN=C1	REAL300013873638	0	52	0.0	-75.95	403.45	6.88	-69.07
CC1=CC=C(NCCNC(=O)NCCC(C)(C)C(=O)[O-])[NH+]=C1	REAL300013873661	1	46	0.0	-66.30	365.64	4.48	-61.82
CC1=CC=CC(NCCNC(=O)NCCC(C)(C)C(=O)[O-])=[NH+]1	REAL300013873662	1	46	0.0	-65.04	364.99	4.42	-60.62
CC(C)CC1C[N@H+](C)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873672	0	53	0.0	-73.82	378.93	8.02	-65.80
CC(C)CC1C[N@@H+](C)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873672	1	53	0.0	-74.53	371.66	7.52	-67.01
CC(C)(CCNC(=O)N1CCN(C2=NC(N)=[NH+]C(C3CC3)=N2)CC1)C(=O)[O-]	REAL300013873710	1	54	0.0	-64.70	414.34	9.12	-55.58
CC(C)(CCNC(=O)N1CCN(C2=NC(N)=NC(C3CC3)=[NH+]2)CC1)C(=O)[O-]	REAL300013873710	1	54	0.0	-62.24	413.04	9.06	-53.18
CC(C)(CCNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)C(=O)[O-]	REAL300013873783	0	54	0.0	-70.01	378.47	7.01	-63.00
CC[NH+](CC)CC(CC)(CC)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873785	0	58	0.0	-68.22	394.07	8.62	-59.60
C[N@@H+]1CC2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC2C1	REAL300013873816	0	51	0.0	-75.21	374.91	6.39	-68.82
C[N@H+]1CC2CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC2C1	REAL300013873816	1	51	0.0	-75.37	375.32	6.39	-68.98
CC(C)(CCNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013873885	0	58	0.0	-71.17	399.75	5.87	-65.30
CC(C)(CCNC(=O)N1CCC2C1CCC[N@@H+]2CCO)C(=O)[O-]	REAL300013873894	0	52	0.0	-71.52	377.55	4.24	-67.28
CC(C)(CCNC(=O)N1CCC2C1CCC[N@H+]2CCO)C(=O)[O-]	REAL300013873894	1	52	0.0	-71.66	376.34	4.59	-67.07
CN(CC(C)(C)C[NH+](C)C)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873896	0	52	0.0	-70.34	364.49	7.53	-62.81
CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873900	0	52	0.0	-65.79	383.93	7.23	-58.56
CN(C)C1=CC=C(C(CNC(=O)NCCC(C)(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013873919	0	58	0.0	-71.15	432.79	7.66	-63.49
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873920	0	60	0.0	-76.16	445.93	9.57	-66.59
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013873920	1	60	0.0	-71.72	438.70	9.36	-62.36
CC(C)(CCNC(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013873957	0	61	0.0	-78.20	445.87	9.75	-68.45
CC(C)(CCNC(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013873957	1	61	0.0	-78.37	446.09	9.99	-68.38
C[C@@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013873978	1	54	0.0	-72.00	395.36	9.77	-62.23
C[C@@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013873978	1	54	0.0	-69.79	400.14	9.63	-60.16
CCC(C)[NH+]1CCC(NC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013873979	0	53	0.0	-68.94	381.17	6.63	-62.31
C[NH+](C)C1CCC2CN(C(=O)NCCC(C)(C)C(=O)[O-])CC2C1	REAL300013874010	0	54	0.0	-75.97	388.81	8.10	-67.87
CCN1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+](CC)CC1	REAL300013874025	0	58	0.0	-71.03	392.32	6.32	-64.71
CCN1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+](CC)CC1	REAL300013874025	1	58	0.0	-70.18	392.56	6.35	-63.83
CC(C)(CCNC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013874031	0	50	0.0	-71.13	380.27	4.67	-66.46
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013874044	0	61	0.0	-68.31	424.89	5.44	-62.87
CC(C)(CCNC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300013874049	0	50	0.0	-67.96	366.01	4.38	-63.58
CC(C)(CCNC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300013874049	1	50	0.0	-70.90	372.24	4.36	-66.54
CC[NH+](CC)CCC(NC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300013874050	0	59	0.0	-71.04	445.02	10.00	-61.04
CC(CC1CCCC[N@@H+]1C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874059	0	53	0.0	-72.61	379.93	6.63	-65.98
CC(CC1CCCC[N@H+]1C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874059	1	53	0.0	-65.35	379.55	6.82	-58.53
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013874061	0	51	0.0	-75.97	399.88	6.20	-69.77
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@@H]21	REAL300013874070	0	49	0.0	-69.35	357.31	3.52	-65.83
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@@H]21	REAL300013874070	1	49	0.0	-68.00	353.94	3.73	-64.27
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC2	REAL300013874076	1	50	0.0	-65.98	378.89	7.20	-58.78
CN(CCC[NH+]1CCOCC1)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874077	1	51	0.0	-71.06	380.31	6.24	-64.82
COC(=O)[C@]12CN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@H]1C[N@H+](C)CC2	REAL300013874081	0	54	0.0	-76.36	403.32	7.46	-68.90
COC(=O)[C@]12CN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@H]1C[N@@H+](C)CC2	REAL300013874081	1	54	0.0	-80.69	404.29	7.32	-73.37
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300013874106	0	56	0.0	-68.58	391.48	8.32	-60.26
CC(C)(CCNC(=O)NC1CC[NH+](CC2CCCO2)CC1)C(=O)[O-]	REAL300013874115	0	55	0.0	-70.54	405.20	5.89	-64.65
CC(C)(CCNC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013874125	1	56	0.0	-75.27	419.57	6.41	-68.86
CC(C)(CCNC(=O)NCC[NH+]1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300013874146	1	48	0.0	-74.60	370.40	6.72	-67.88
CC(C)(CCNC(=O)NC1CC2CCCC(C1)[NH+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300013874150	0	61	0.0	-73.28	435.25	9.43	-63.85
CO[C@@H]1C[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300013874155	0	58	0.0	-70.51	444.80	7.32	-63.19
CO[C@@H]1C[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300013874155	1	58	0.0	-68.28	437.61	6.89	-61.39
CC(C)(CCNC(=O)NC1(C)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013874159	0	54	0.0	-75.35	406.91	8.11	-67.24
CC(C)(CCNC(=O)NC1(C)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013874159	1	54	0.0	-74.37	405.57	8.06	-66.31
CC(C)(CCNC(=O)N1CC[NH+](C2CCCC2O)CC1)C(=O)[O-]	REAL300013874183	0	52	0.0	-69.55	377.06	4.86	-64.69
CC1C[N@H+](CC2CN(C)CCO2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874196	1	60	0.0	-70.82	429.55	5.40	-65.42
CC1C[N@@H+](CC2CN(C)CCO2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874196	1	60	0.0	-71.03	430.86	5.58	-65.45
CC1CN(CC2C[N@H+](C)CCO2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874196	1	60	0.0	-74.10	417.23	5.14	-68.96
CC1CN(CC2C[N@@H+](C)CCO2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874196	1	60	0.0	-73.75	417.30	5.13	-68.62
CC[N@@H+]1CCOC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013874198	1	48	0.0	-73.08	363.17	3.88	-69.20
CC[N@H+]1CCOC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013874198	1	48	0.0	-70.32	355.87	3.76	-66.56
CC(C)(CCNC(=O)NCC[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300013874204	0	48	0.0	-73.97	360.82	2.10	-71.87
C[NH+]1CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])(C2=CC=CC=C2)CC1	REAL300013874206	0	57	0.0	-74.09	416.18	8.61	-65.48
CC(C)(CCNC(=O)N1CCC([N@@H+]2CCC(O)C2)CC1)C(=O)[O-]	REAL300013874226	0	52	0.0	-73.17	378.79	4.59	-68.58
CC(C)(CCNC(=O)N1CCC([N@H+]2CCC(O)C2)CC1)C(=O)[O-]	REAL300013874226	1	52	0.0	-73.05	379.38	4.59	-68.46
CC1C[N@@H+]2CCCCC2CN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874247	0	51	0.0	-68.76	362.59	7.87	-60.89
CC1C[N@H+]2CCCCC2CN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874247	1	51	0.0	-68.32	364.70	8.06	-60.26
CC(C)(CCNC(=O)N1CCCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013874271	0	55	0.0	-72.11	386.17	7.08	-65.03
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013874274	1	54	0.0	-71.80	395.78	9.80	-62.00
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013874274	1	54	0.0	-71.84	395.76	9.80	-62.04
CC[NH+](CC)CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013874275	0	53	0.0	-71.25	387.18	8.10	-63.15
COCC(COC)[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013874284	1	55	0.0	-67.74	402.77	6.38	-61.36
CN(CCC[NH+](C)C)CCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874295	0	54	0.0	-73.39	403.47	4.03	-69.36
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013874296	1	48	0.0	-78.40	363.34	6.64	-71.76
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013874296	1	48	0.0	-77.78	362.25	7.11	-70.67
CC(C)(CCNC(=O)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013874299	1	54	0.0	-80.78	412.49	10.12	-70.66
C[NH+](C)CCN1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1=O	REAL300013874332	0	51	0.0	-73.43	384.14	6.08	-67.35
CC(C)C1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013874338	0	60	0.0	-71.43	422.85	10.33	-61.10
CC(C)C1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013874338	1	60	0.0	-68.72	431.98	10.85	-57.87
C[NH+]1CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])(N2CCOCC2)CC1	REAL300013874357	0	60	0.0	-74.28	419.33	3.44	-70.84
CC[NH+]1CCC(N2CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013874360	0	62	0.0	-68.06	432.27	8.48	-59.58
CCN1CCC([N@@H+]2CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013874360	1	62	0.0	-71.83	427.55	7.82	-64.01
CCN1CCC([N@H+]2CCCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300013874360	1	62	0.0	-69.41	429.60	8.02	-61.39
CCC[N@H+](C)CC(C)(C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874373	0	52	0.0	-71.89	372.54	7.16	-64.73
CCC[N@@H+](C)CC(C)(C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874373	1	52	0.0	-71.17	372.57	7.25	-63.92
CC(C)(CCNC(=O)N1CCCC([NH2+]C2CCOCC2)C1)C(=O)[O-]	REAL300013874384	0	55	0.0	-75.05	395.77	5.55	-69.50
C[NH+](C)CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300013874385	0	53	0.0	-67.98	421.04	8.50	-59.48
CC(C)(CCNC(=O)NCC1CCC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300013874394	0	54	0.0	-69.53	396.20	7.75	-61.78
CC(C)(CCNC(=O)NCC1CCC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300013874394	1	54	0.0	-71.72	400.76	7.75	-63.97
COC(=O)C1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+](C)C1	REAL300013874435	0	50	0.0	-73.51	372.53	7.17	-66.34
COC(=O)C1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+](C)C1	REAL300013874435	1	50	0.0	-73.55	372.31	7.16	-66.39
CO[C@H]1C[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300013874437	0	58	0.0	-71.33	438.06	7.46	-63.87
CO[C@H]1C[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300013874437	1	58	0.0	-71.15	437.75	6.88	-64.27
CC(C)[NH+]1CCN(C2CCN(C(=O)NCCC(C)(C)C(=O)[O-])C2)CC1	REAL300013874441	0	59	0.0	-70.78	424.01	6.62	-64.16
COCC[N@H+]1[C@H](C)CN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@@H]1C	REAL300013874497	0	54	0.0	-67.48	382.44	6.47	-61.01
COCC[N@@H+]1[C@H](C)CN(C(=O)NCCC(C)(C)C(=O)[O-])C[C@@H]1C	REAL300013874497	1	54	0.0	-67.61	384.02	5.97	-61.64
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874551	0	51	0.0	-73.69	391.94	6.55	-67.14
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874552	0	57	0.0	-70.48	424.52	5.13	-65.35
CC(C)(CCNC(=O)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300013874555	0	50	0.0	-71.47	400.66	6.40	-65.07
CC(C)(CCNC(=O)N1CC2=CC=C[NH+]=C2N2C[C@H](O)C[C@H]2C1)C(=O)[O-]	REAL300013874569	1	52	0.0	-64.78	385.59	4.21	-60.57
CO[C@@H]1C[C@@H]2CN(C(=O)NCCC(C)(C)C(=O)[O-])CC3=CC=C[NH+]=C3N2C1	REAL300013874570	1	55	0.0	-66.01	407.68	6.63	-59.38
COC1CC2CN(C(=O)NCCC(C)(C)C(=O)[O-])CC3=CC=C[NH+]=C3N2C1	REAL300013874579	1	55	0.0	-62.89	408.11	6.60	-56.29
CC(C)(CCNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1)C(=O)[O-]	REAL300013874591	1	51	0.0	-63.43	374.50	7.65	-55.78
CC(C)(CCNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1)C(=O)[O-]	REAL300013874592	1	51	0.0	-62.94	374.61	7.64	-55.30
CC(C)(CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C(=O)[O-]	REAL300013874597	0	51	0.0	-74.84	391.87	2.39	-72.45
CC(C)(CCNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C(=O)[O-]	REAL300013874597	1	51	0.0	-77.57	386.03	1.87	-75.70
C[N@@H+]1C[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])[C@H](C2=CC=CC=C2)C1	REAL300013874603	0	54	0.0	-74.90	412.34	8.24	-66.66
C[N@H+]1C[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])[C@H](C2=CC=CC=C2)C1	REAL300013874603	1	54	0.0	-77.05	412.77	8.18	-68.87
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874609	0	61	0.0	-74.76	468.18	8.38	-66.38
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874609	1	61	0.0	-73.26	468.56	8.32	-64.94
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])CCC[N@@H+]1C1CC1	REAL300013874629	0	61	0.0	-75.01	445.23	8.47	-66.54
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)NCCC(C)(C)C(=O)[O-])CCC[N@H+]1C1CC1	REAL300013874629	1	61	0.0	-72.75	446.50	9.08	-63.67
C[NH+](C)CC1=C2CN(C(=O)NCCC(C)(C)C(=O)[O-])CCN2N=C1	REAL300013874638	0	51	0.0	-68.05	385.90	6.81	-61.24
C[NH+]1CC23CN(C(=O)NCCC(C)(C)C(=O)[O-])CC2(C1)CCCC3	REAL300013874719	0	55	0.0	-68.25	390.80	8.14	-60.11
C[NH+](C)CC1=CC=C(CNC(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300013874761	0	47	0.0	-73.65	379.75	6.52	-67.13
CC(C)[NH+]1CCN(C2(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCC2)CC1	REAL300013874797	0	65	0.0	-68.32	449.67	6.54	-61.78
CC(C)N1CC[NH+](C2(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCC2)CC1	REAL300013874797	1	65	0.0	-65.34	451.49	6.65	-58.69
COCC(C)(CNC(=O)NCCC(C)(C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300013874801	0	65	0.0	-68.41	460.11	5.63	-62.78
CC(C)(CCNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)[O-]	REAL300013874814	0	52	0.0	-69.19	377.64	5.01	-64.18
C[NH+]1CCN(C2=CC=C(CCNC(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300013874816	0	59	0.0	-75.56	444.72	7.21	-68.35
CC[NH+](CC)CCC(C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874822	0	52	0.0	-70.29	381.90	6.45	-63.84
CC(C)(CCNC(=O)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21)C(=O)[O-]	REAL300013874854	0	55	0.0	-59.25	399.21	9.50	-49.75
CC(C)(CCNC(=O)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21)C(=O)[O-]	REAL300013874854	1	55	0.0	-60.47	405.87	10.37	-50.10
COC(=O)C1CC([NH+](C)C)CN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013874872	0	53	0.0	-67.36	390.33	7.89	-59.47
CC(C)(CCNC(=O)N1CCC(C)([NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013874878	1	52	0.0	-71.71	376.18	5.53	-66.18
CN(C(=O)NCCC(C)(C)C(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300013874886	0	53	0.0	-69.19	394.63	10.58	-58.61
CCC[NH+](CCC)CCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013874947	0	52	0.0	-70.70	382.78	6.19	-64.51
CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013874949	1	57	0.0	-76.17	427.51	8.25	-67.92
CC(C)[N@H+]1CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013874949	1	57	0.0	-77.51	436.58	9.00	-68.51
C[N@@H+]1CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=CC=C1	REAL300013874957	0	51	0.0	-72.17	381.83	7.07	-65.10
C[N@H+]1CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=CC=C1	REAL300013874957	1	51	0.0	-72.08	390.30	7.81	-64.27
CC[N@H+](C)CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013874970	0	53	0.0	-73.70	380.54	8.40	-65.30
CC[N@@H+](C)CC1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013874970	1	53	0.0	-73.75	380.62	8.39	-65.36
C[C@@H]1C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300013874985	0	60	0.0	-71.52	427.65	8.71	-62.81
C[C@@H]1C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300013874985	1	60	0.0	-70.45	427.26	8.84	-61.61
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCCC(C)(C)C(=O)[O-])C2	REAL300013875001	0	51	0.0	-72.61	361.71	6.02	-66.59
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCCC(C)(C)C(=O)[O-])C2	REAL300013875001	1	51	0.0	-66.51	359.37	6.11	-60.40
C[N@@H+]1CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300013875008	1	51	0.0	-75.71	399.29	7.61	-68.10
C[N@H+]1CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300013875008	1	51	0.0	-75.47	406.50	8.39	-67.08
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])CC[N@@H+]2C2CC2)=C1	REAL300013875016	0	59	0.0	-69.72	444.26	7.86	-61.86
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])CC[N@H+]2C2CC2)=C1	REAL300013875016	1	59	0.0	-70.29	447.72	8.43	-61.86
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013875050	0	60	0.0	-71.74	432.82	8.20	-63.54
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013875050	1	60	0.0	-77.04	428.05	7.90	-69.14
C[N@@H+]1CCC2=C(C=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C(=O)N2)C1	REAL300013875074	0	51	0.0	-93.63	396.22	4.47	-89.16
C[N@H+]1CCC2=C(C=C(CNC(=O)NCCC(C)(C)C(=O)[O-])C(=O)N2)C1	REAL300013875074	1	51	0.0	-93.57	395.65	4.47	-89.10
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C2	REAL300013875081	1	50	0.0	-66.04	377.84	7.33	-58.71
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C2	REAL300013875105	1	50	0.0	-66.04	377.84	7.33	-58.71
CCC[N@@H+]1CCCCC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013875107	0	53	0.0	-68.90	379.89	6.48	-62.42
CCC[N@H+]1CCCCC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013875107	1	53	0.0	-69.57	380.37	6.50	-63.07
CC(C)(CCNC(=O)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1)C(=O)[O-]	REAL300013875124	1	50	0.0	-73.11	394.10	6.87	-66.24
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013875160	1	52	0.0	-73.57	372.90	6.13	-67.44
C[N@@H+]1CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300013875196	0	51	0.0	-76.67	388.96	7.16	-69.51
C[N@H+]1CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300013875196	1	51	0.0	-76.19	396.76	7.95	-68.24
CC(C)(CCNC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300013875221	0	52	0.0	-68.32	369.84	8.38	-59.94
CC1=C[NH+]=CC=C1N1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013875229	0	50	0.0	-70.08	378.93	6.76	-63.32
CCCC1=[NH+]C=CN1CCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013875280	1	51	0.0	-67.10	396.42	7.21	-59.89
CC(C)(CCNC(=O)N1CC23CCCC2(C1)C[NH+](CC1=CC=CC=C1)C3)C(=O)[O-]	REAL300013875290	0	62	0.0	-79.45	448.87	11.13	-68.32
C[NH+]1CC23CCCC2(CN(C(=O)NCCC(C)(C)C(=O)[O-])C3)C1	REAL300013875300	0	52	0.0	-79.34	373.61	7.51	-71.83
CC(C)(CCNC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013875306	0	51	0.0	-67.14	394.96	8.05	-59.09
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013875378	0	48	0.0	-75.73	361.85	3.67	-72.06
C[NH+]1CCN(C(CNC(=O)NCCC(C)(C)C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300013875379	0	59	0.0	-75.51	447.06	7.09	-68.42
C[NH+](C)CCCCCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013875380	0	52	0.0	-72.42	394.55	6.74	-65.68
CC(C)(CCNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300013875384	0	61	0.0	-65.44	441.75	9.55	-55.89
CC(C)(CCNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300013875384	1	61	0.0	-67.68	445.75	9.66	-58.02
CC(C)(CCNC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300013875417	1	52	0.0	-68.47	400.88	8.45	-60.02
CC(C)(CCNC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013875437	0	54	0.0	-70.36	393.04	7.39	-62.97
CC(C)(CCNC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013875437	1	54	0.0	-70.51	388.87	7.92	-62.59
CC(C)(CCNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300013875444	0	58	0.0	-66.79	430.90	9.17	-57.62
CC(C)(CCNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300013875444	1	58	0.0	-66.55	430.98	9.15	-57.40
CCC1=[NH+]C=CN1CC(C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013875465	1	48	0.0	-64.09	377.28	6.65	-57.44
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300013875468	0	60	0.0	-71.91	431.06	10.93	-60.98
CC1CN(C(=O)NCCC(C)(C)C(=O)[O-])C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300013875468	1	60	0.0	-72.02	430.51	11.07	-60.95
CC(C)(CCNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1)C(=O)[O-]	REAL300013875479	0	61	0.0	-73.14	437.89	11.49	-61.65
CC(C)(CCNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1)C(=O)[O-]	REAL300013875479	1	61	0.0	-70.00	439.59	11.36	-58.64
CC[N@@H+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC12CCOC2	REAL300013875554	1	52	0.0	-73.03	367.26	5.88	-67.15
CC[N@H+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC12CCOC2	REAL300013875554	1	52	0.0	-70.83	366.99	5.66	-65.17
CC(C)(CCNC(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1)C(=O)[O-]	REAL300013875588	0	49	0.0	-69.59	366.90	4.20	-65.39
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013875596	0	63	0.0	-72.25	474.05	9.45	-62.80
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013875596	1	63	0.0	-75.33	472.50	8.81	-66.52
CN(C(=O)NCCC(C)(C)C(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013875602	0	57	0.0	-68.13	417.01	11.46	-56.67
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300013875647	0	50	0.0	-73.39	377.03	5.88	-67.51
CC(C)(C)[N@@H+]1CCCC(NC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013875654	0	53	0.0	-67.31	374.48	6.79	-60.52
CC(C)(C)[N@H+]1CCCC(NC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013875654	1	53	0.0	-67.48	378.49	6.25	-61.23
CN(C)C1=CC=C(CCNC(=O)NCCC(C)(C)C(=O)[O-])C=[NH+]1	REAL300013875691	1	49	0.0	-65.72	382.76	6.22	-59.50
C[N@@H+]1CC(NC(=O)NCCC(C)(C)C(=O)[O-])CC12CCCC2	REAL300013875692	0	51	0.0	-65.86	366.62	6.19	-59.67
C[N@H+]1CC(NC(=O)NCCC(C)(C)C(=O)[O-])CC12CCCC2	REAL300013875692	1	51	0.0	-65.14	368.28	6.27	-58.87
C[N@@H+]1CC(NC(=O)NCCC(C)(C)C(=O)[O-])CC12CCOCC2	REAL300013875737	0	52	0.0	-67.52	375.79	4.29	-63.23
C[N@H+]1CC(NC(=O)NCCC(C)(C)C(=O)[O-])CC12CCOCC2	REAL300013875737	1	52	0.0	-67.85	374.83	4.18	-63.67
CC(C)(CCNC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013875754	1	55	0.0	-69.17	388.90	7.22	-61.95
CC1=CC=C(C[NH+]2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C=C1	REAL300013875758	1	54	0.0	-72.96	404.91	9.86	-63.10
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013875768	0	51	0.0	-67.30	366.30	4.02	-63.28
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300013875768	1	51	0.0	-68.11	363.33	4.45	-63.66
CC(C)[N@H+](C)C1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013875779	0	53	0.0	-69.78	371.12	7.69	-62.09
CC(C)[N@@H+](C)C1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013875779	1	53	0.0	-69.81	371.79	7.73	-62.08
CC(C)(CCNC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013875785	0	57	0.0	-70.55	412.10	8.12	-62.43
CC(C)(CCNC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013875785	1	57	0.0	-68.47	405.22	8.08	-60.39
C[NH+](C)CCC1CN(C(=O)NCCC(C)(C)C(=O)[O-])CCO1	REAL300013875796	0	51	0.0	-71.05	378.61	6.22	-64.83
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=C(N(C)C)[NH+]=C1	REAL300013875820	1	52	0.0	-63.97	399.15	6.86	-57.11
CN(C)C1=CC=C(C(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-])C=[NH+]1	REAL300013875823	1	55	0.0	-62.58	410.91	7.35	-55.23
CC(C)(CCNC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013875839	1	46	0.0	-63.89	350.24	6.47	-57.42
CCCC1=[NH+]C=CN1C1CCCN(C(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013875903	1	55	0.0	-64.49	413.45	9.70	-54.79
CC(C)(CCNC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013875951	1	46	0.0	-63.89	350.24	6.47	-57.42
CC(C)(CCNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013876001	0	57	0.0	-67.72	424.61	8.51	-59.21
CC(C)(CCNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013876001	1	57	0.0	-67.80	419.25	8.59	-59.21
C[NH+](C)CC1=CC=C(CCNC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300013876027	0	53	0.0	-74.24	410.96	8.03	-66.21
CC(C)(CCNC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013876033	0	57	0.0	-73.41	418.31	8.90	-64.51
CC(C)(CCNC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013876033	1	57	0.0	-73.23	419.08	9.00	-64.23
CCC[N@H+](CCNC(=O)NCCC(C)(C)C(=O)[O-])C(C)C	REAL300013876063	0	52	0.0	-69.03	375.05	5.79	-63.24
CCC[N@@H+](CCNC(=O)NCCC(C)(C)C(=O)[O-])C(C)C	REAL300013876063	1	52	0.0	-68.68	374.95	5.89	-62.79
C[C@@H]1C[N@H+](C2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C[C@H](C)O1	REAL300013876107	0	58	0.0	-73.10	416.61	7.73	-65.37
C[C@@H]1C[N@@H+](C2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)C[C@H](C)O1	REAL300013876107	1	58	0.0	-73.48	409.69	7.75	-65.73
CCC(CC)(CNC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013876119	0	57	0.0	-71.99	422.51	9.44	-62.55
CCC(CC)(CNC(=O)NCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300013876123	1	48	0.0	-60.63	367.40	7.08	-53.55
CCC(CC)(CNC(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013876127	0	54	0.0	-64.62	391.10	8.23	-56.39
CCC(CC)(CNC(=O)NCC(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300013876132	0	53	0.0	-64.16	383.64	7.09	-57.07
CCC(CC)(CNC(=O)N1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013876135	0	51	0.0	-63.57	368.54	8.62	-54.95
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC=C1F)C(=O)[O-]	REAL300013876136	0	56	0.0	-47.98	417.90	11.03	-36.95
CCCC[N@H+](C)CC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013876142	0	62	0.0	-70.05	436.55	10.73	-59.32
CCCC[N@@H+](C)CC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013876142	1	62	0.0	-71.35	436.53	10.73	-60.62
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013876147	0	56	0.0	-59.20	426.21	10.90	-48.30
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CC=C(C)O1)C(=O)[O-]	REAL300013876148	0	56	0.0	-62.60	418.76	9.96	-52.64
CCC(CC)(CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)C(=O)[O-]	REAL300013876150	0	59	0.0	-69.15	410.23	9.72	-59.43
CCC(CC)(CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)C(=O)[O-]	REAL300013876150	1	59	0.0	-68.91	406.03	10.01	-58.90
CC[NH+](CC)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=CO1	REAL300013876155	0	56	0.0	-54.85	403.77	7.84	-47.01
CCC(CC)(CNC(=O)NCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013876158	0	53	0.0	-66.59	398.07	8.00	-58.59
CCC(CC)(CNC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013876158	1	53	0.0	-64.35	395.45	8.34	-56.01
CCC(CC)(CNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013876160	1	51	0.0	-65.18	389.19	7.88	-57.30
CCC(CC)(CNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013876160	1	51	0.0	-64.67	387.15	7.70	-56.97
CCC(CC)(CNC(=O)NC(C)C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013876182	0	56	0.0	-60.33	397.93	8.29	-52.04
CCC(CC)(CNC(=O)NC(C)C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013876182	1	56	0.0	-60.77	399.98	8.46	-52.31
CCC(CC)(CNC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013876185	0	62	0.0	-54.01	420.59	8.95	-45.06
CCC(CC)(CNC(=O)NC(C)C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013876186	0	59	0.0	-60.65	418.21	8.84	-51.81
CCC(CC)(CNC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013876187	0	59	0.0	-54.96	397.00	8.20	-46.76
CCC(CC)(CNC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013876187	1	59	0.0	-55.26	408.10	8.02	-47.24
CCC(CC)(CNC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300013876189	0	57	0.0	-63.87	421.00	9.33	-54.54
CCC(CC)(CNC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300013876189	1	57	0.0	-62.47	415.81	9.34	-53.13
CCC(CC)(CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)[O-]	REAL300013876219	0	60	0.0	-74.81	440.01	6.57	-68.24
CCC(CC)(CNC(=O)NCC(C)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300013876220	1	51	0.0	-58.80	381.31	7.59	-51.21
CCC(CC)(CNC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300013876229	0	64	0.0	-59.60	440.40	6.76	-52.84
CCC(CC)(CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013876247	0	63	0.0	-61.77	427.18	11.98	-49.79
CCC(CC)(CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013876247	1	63	0.0	-51.74	428.21	11.98	-39.76
CCC(CC)(CNC(=O)N1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300013876253	0	53	0.0	-56.33	362.10	8.05	-48.28
CCC(CC)(CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)C(=O)[O-]	REAL300013876259	0	59	0.0	-62.30	409.01	9.64	-52.66
CCC(CC)(CNC(=O)N1CCC(CC[NH+](C)C)CC1)C(=O)[O-]	REAL300013876264	0	56	0.0	-72.30	397.46	9.12	-63.18
CCC[N@@H+]1CCC(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013876278	0	53	0.0	-64.54	386.14	7.32	-57.22
CCC[N@H+]1CCC(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013876278	1	53	0.0	-62.65	383.47	7.14	-55.51
CCC(CC)(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013876285	0	60	0.0	-68.41	438.32	10.28	-58.13
CCC(CC)(CNC(=O)NCC1=CC=CC(C[N@@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300013876286	1	61	0.0	-72.63	455.87	8.24	-64.39
CCC(CC)(CNC(=O)NCC1=CC=CC(C[N@H+]2CCOC(C)C2)=C1)C(=O)[O-]	REAL300013876286	1	61	0.0	-68.54	455.87	8.25	-60.29
CCC(CC)(CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013876291	0	63	0.0	-67.54	442.82	9.68	-57.86
CCC(CC)(CNC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300013876303	0	57	0.0	-55.01	425.87	8.02	-46.99
CCC(CC)(CNC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300013876304	0	57	0.0	-65.43	428.31	9.06	-56.37
CCC(CC)(CNC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300013876304	1	57	0.0	-64.78	420.15	9.22	-55.56
CCC(CC)(CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300013876305	0	57	0.0	-69.35	431.35	9.03	-60.32
CCC(CC)(CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(=O)[O-]	REAL300013876312	1	57	0.0	-70.93	416.95	5.96	-64.97
CCOCC[NH+]1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013876318	1	54	0.0	-60.33	391.44	7.21	-53.12
CCC(CC)(CNC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013876328	0	56	0.0	-61.76	408.80	8.64	-53.12
CCC(CC)(CNC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013876328	1	56	0.0	-61.16	405.31	8.95	-52.21
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013876332	0	62	0.0	-56.34	423.84	8.63	-47.71
CCC1CCC[N@H+](C(C)(C)CNC(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013876332	1	62	0.0	-56.47	419.49	8.63	-47.84
CC[N@@H+]1CCCCC1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013876334	0	53	0.0	-57.40	370.45	7.38	-50.02
CC[N@H+]1CCCCC1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013876334	1	53	0.0	-61.45	371.17	6.54	-54.91
CCC(CC)(CNC(=O)NCCCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300013876345	0	59	0.0	-65.85	422.42	8.78	-57.07
CCC(CC)(CNC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013876354	0	53	0.0	-61.64	395.83	9.01	-52.63
CCC(CC)(CNC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300013876360	1	57	0.0	-79.15	433.80	9.38	-69.77
CCC(CC)(CNC(=O)NCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300013876367	0	53	0.0	-56.93	369.09	7.10	-49.83
CCC(CC)(CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300013876372	0	56	0.0	-62.66	391.39	7.09	-55.57
CCC(CC)(CNC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300013876373	0	56	0.0	-63.86	396.97	8.18	-55.68
CCC(CC)(CNC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013876396	0	58	0.0	-65.18	433.50	7.10	-58.08
CCC(CC)(CNC(=O)NCC(C1=CC=C(C)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013876398	0	60	0.0	-60.80	439.94	9.82	-50.98
CCC(CC)(CNC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013876399	0	56	0.0	-60.05	394.19	7.49	-52.56
CC[NH+]1CCN(C2=CC(CNC(=O)NCC(CC)(CC)C(=O)[O-])=CC=N2)CC1	REAL300013876408	0	61	0.0	-67.41	451.08	7.30	-60.11
CCC(CC)(CNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300013876411	0	63	0.0	-69.17	447.98	10.24	-58.93
CCC(CC)(CNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300013876412	0	63	0.0	-70.02	452.20	10.10	-59.92
CCC(CC)(CNC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300013876423	0	52	0.0	-64.58	376.49	4.18	-60.40
CCC(CC)(CNC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300013876423	1	52	0.0	-63.80	369.14	3.85	-59.95
CCC(CC)(CNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013876427	0	61	0.0	-69.53	456.92	8.92	-60.61
CCC(CC)(CNC(=O)N1CCCC([NH2+]C(C)C)C1)C(=O)[O-]	REAL300013876428	0	53	0.0	-65.48	376.13	6.88	-58.60
CCC(CC)(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C)C(=O)[O-]	REAL300013876433	1	57	0.0	-57.26	407.50	10.92	-46.34
CCC(CC)(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C)C(=O)[O-]	REAL300013876433	1	57	0.0	-59.71	405.70	10.69	-49.02
CCC(CC)(CNC(=O)NCC1CC[NH+](CC2=NC(C)=C(C)O2)CC1)C(=O)[O-]	REAL300013876441	1	62	0.0	-69.27	461.06	6.48	-62.79
CCC(CC)(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013876447	0	63	0.0	-56.74	450.86	11.67	-45.07
CCC(CC)(CNC(=O)NCC1([NH+](C)C)CCCC(C)C1)C(=O)[O-]	REAL300013876455	0	59	0.0	-61.16	399.05	8.12	-53.04
CCC(CC)(CNC(=O)N1CC[NH+](CCC2=CC=CS2)CC1)C(=O)[O-]	REAL300013876477	1	54	0.0	-63.87	404.41	10.21	-53.66
CCCC[NH+]1CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013876485	0	56	0.0	-65.26	402.13	8.18	-57.08
CCC(CC)(CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013876490	0	62	0.0	-65.12	430.28	6.28	-58.84
CCC(CC)(CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300013876528	0	61	0.0	-61.74	422.02	8.73	-53.01
CCCC[N@H+](C)CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013876536	0	52	0.0	-62.35	379.52	6.96	-55.39
CCCC[N@@H+](C)CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013876536	1	52	0.0	-62.49	379.52	6.95	-55.54
CCC(CC)(CNC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300013876537	1	48	0.0	-67.19	362.18	6.05	-61.14
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300013876551	0	63	0.0	-45.38	439.67	11.14	-34.24
CCC(CC)(CNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013876587	1	61	0.0	-67.62	444.59	4.58	-63.04
CCC(CC)(CNC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013876608	0	59	0.0	-74.35	438.07	8.32	-66.03
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013876618	0	62	0.0	-71.75	442.29	10.30	-61.45
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013876618	1	62	0.0	-59.59	447.06	10.31	-49.28
CC[NH+]1CCC(CNC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013876622	0	53	0.0	-65.40	379.48	7.38	-58.02
CCC(CC)(CNC(=O)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1)C(=O)[O-]	REAL300013876634	0	58	0.0	-63.60	419.71	11.15	-52.45
CCC(CC)(CNC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300013876644	0	59	0.0	-63.21	426.23	8.11	-55.10
CCC(CC)(CNC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300013876645	0	63	0.0	-61.83	449.38	9.09	-52.74
CCC(CC)(CNC(=O)NCC(CC)(CC)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013876646	0	65	0.0	-60.15	447.92	9.48	-50.67
CCC1CCCC[N@@H+]1CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013876649	0	56	0.0	-58.23	386.65	7.25	-50.98
CCC1CCCC[N@H+]1CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013876649	1	56	0.0	-60.52	397.94	7.40	-53.12
CCC(CC)(CNC(=O)N1CC[NH+](C2CCC2)CC1)C(=O)[O-]	REAL300013876653	0	51	0.0	-60.53	365.47	8.37	-52.16
CCC(CC)(CNC(=O)N(C)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013876656	0	60	0.0	-67.00	429.39	11.46	-55.54
CCC(CC)(CNC(=O)N1CCC[N@H+](CCCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013876666	0	63	0.0	-68.26	453.90	12.89	-55.37
CCC(CC)(CNC(=O)N1CCC[N@@H+](CCCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013876666	1	63	0.0	-60.08	454.25	12.90	-47.18
CC[N@H+](CCNC(=O)NCC(CC)(CC)C(=O)[O-])C(C)C	REAL300013876691	0	52	0.0	-60.74	370.19	6.04	-54.70
CC[N@@H+](CCNC(=O)NCC(CC)(CC)C(=O)[O-])C(C)C	REAL300013876691	1	52	0.0	-61.08	369.52	5.96	-55.12
CCC(CC)(CNC(=O)NCC(C1=CC=C(C)O1)[NH+]1CCCC1)C(=O)[O-]	REAL300013876707	0	57	0.0	-56.61	416.36	8.52	-48.09
CCC(CC)(CNC(=O)NC1CC[NH+](CCCOC)CC1)C(=O)[O-]	REAL300013876729	0	57	0.0	-65.11	412.69	6.33	-58.78
CCC(CC)(CNC(=O)NCC[N@H+](C)CCOC)C(=O)[O-]	REAL300013876731	0	50	0.0	-63.48	371.78	4.27	-59.21
CCC(CC)(CNC(=O)NCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300013876731	1	50	0.0	-60.63	367.60	4.54	-56.09
CCC[NH+]1CCC(N(C)C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013876735	0	56	0.0	-68.12	396.69	9.14	-58.98
CCC(CC)(CNC(=O)N(C)C1CC[NH+](CCC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013876736	0	62	0.0	-71.57	450.79	10.39	-61.18
CCC(CC)(CNC(=O)N(C)C1CC[NH+](CCC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013876737	0	62	0.0	-74.95	446.33	10.53	-64.42
CCC(C)[N@H+](C)CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013876740	0	52	0.0	-61.57	370.45	6.22	-55.35
CCC(C)[N@@H+](C)CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013876740	1	52	0.0	-59.72	367.51	6.50	-53.22
CCC(CC)(CNC(=O)N1CCC([NH+]2CCCC2)C1)C(=O)[O-]	REAL300013876742	0	51	0.0	-64.11	368.29	8.30	-55.81
CCC(CC)(CNC(=O)N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013876748	0	63	0.0	-72.81	452.47	12.12	-60.69
CCC(CC)(CNC(=O)N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013876748	1	63	0.0	-73.93	448.27	12.42	-61.51
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013876758	0	59	0.0	-73.80	434.54	11.22	-62.58
CCC(CC)(CNC(=O)NCC1=CC=CC(C(=O)NCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013876759	0	60	0.0	-81.01	459.32	6.54	-74.47
CCC(CC)(CNC(=O)N1CCCC1C[NH+]1CCCC1)C(=O)[O-]	REAL300013876776	0	54	0.0	-58.59	380.11	8.46	-50.13
CCC(CC)(CNC(=O)NC(CN1CC[NH+](C)CC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013876788	0	62	0.0	-59.86	459.61	8.27	-51.59
CCC(CC)(CNC(=O)N1CCC[N@@H+](C(C)C)CC1)C(=O)[O-]	REAL300013876795	0	53	0.0	-53.44	366.21	8.75	-44.69
CCC(CC)(CNC(=O)N1CCC[N@H+](C(C)C)CC1)C(=O)[O-]	REAL300013876795	1	53	0.0	-62.22	363.16	8.99	-53.23
CCC(CC)(CNC(=O)NCC1=CC=CC(C[NH+]2CCC(C)CC2)=C1)C(=O)[O-]	REAL300013876802	0	63	0.0	-65.50	464.18	10.52	-54.98
CCC[NH+](CCC)CCCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013876803	0	58	0.0	-66.72	417.15	7.78	-58.94
CCC(CC)(CNC(=O)NCC1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300013876810	0	62	0.0	-64.82	455.69	7.63	-57.19
CCC(CC)(CNC(=O)NCC1=CC=CC(C[NH+]2CCN(C)CC2)=C1)C(=O)[O-]	REAL300013876810	1	62	0.0	-64.35	455.14	7.51	-56.84
CCC(CC)(CNC(=O)N1CCCC(C[NH+]2CCC(C)CC2)C1)C(=O)[O-]	REAL300013876835	0	63	0.0	-61.83	433.89	11.16	-50.67
CCC(CC)(CNC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013876848	0	60	0.0	-58.55	423.25	9.48	-49.07
CCC(CC)(CNC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013876848	1	60	0.0	-60.63	426.03	9.60	-51.03
CCC(CC)(CNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C(=O)[O-]	REAL300013876862	1	57	0.0	-69.39	428.88	8.47	-60.92
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013876864	0	62	0.0	-62.09	431.74	11.61	-50.48
CCC(CC)(CNC(=O)N(CCCC1=CC=CC=C1)CC[NH+](C)C)C(=O)[O-]	REAL300013876868	0	62	0.0	-56.41	457.29	12.59	-43.82
CCC(CC)(CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013876876	0	58	0.0	-67.98	411.69	8.33	-59.65
CCC(CC)(CNC(=O)NCC1=CC=C(OCCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013876879	0	60	0.0	-74.36	454.22	8.48	-65.88
CCC(CC)(CNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013876881	0	60	0.0	-69.22	445.07	10.31	-58.91
CCC(CC)(CNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013876881	1	60	0.0	-68.19	443.50	10.16	-58.03
CCC(CC)(CNC(=O)NCCC1CC[NH+](C)CC1)C(=O)[O-]	REAL300013876886	0	53	0.0	-67.77	384.70	6.92	-60.85
CCC(CC)(CNC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013876908	0	57	0.0	-62.79	411.93	9.09	-53.70
CCC(CC)(CNC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013876908	1	57	0.0	-62.50	411.66	9.07	-53.43
CCC(CC)(CNC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013876909	1	54	0.0	-59.50	399.96	8.84	-50.66
CCC(CC)(CNC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013876909	1	54	0.0	-62.90	401.80	8.84	-54.06
CCC(CC)(CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013876927	0	60	0.0	-59.07	414.46	10.71	-48.36
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013876929	0	56	0.0	-59.14	430.82	11.12	-48.02
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300013876930	0	56	0.0	-59.02	420.47	10.68	-48.34
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300013876931	0	56	0.0	-57.83	432.58	10.96	-46.87
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300013876932	0	56	0.0	-61.04	423.76	11.26	-49.78
CCC(CC)(CNC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013876941	0	59	0.0	-57.09	438.16	7.80	-49.29
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013876945	0	60	0.0	-65.56	423.21	8.02	-57.54
CCC(CC)(CNC(=O)N(C)CC1CC[NH+](C)CC1)C(=O)[O-]	REAL300013876947	0	53	0.0	-65.80	377.97	8.54	-57.26
CCC(CC)(CNC(=O)NCCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013876967	0	60	0.0	-69.54	450.49	8.93	-60.61
CCC(CC)(CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C(=O)[O-]	REAL300013876995	0	56	0.0	-59.87	381.77	9.05	-50.82
CCC(CC)(CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C(=O)[O-]	REAL300013876995	1	56	0.0	-54.63	382.07	9.05	-45.58
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300013877005	0	56	0.0	-69.81	419.50	8.70	-61.11
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300013877005	1	56	0.0	-68.27	416.84	9.02	-59.25
CCC(CC)(CNC(=O)N1CCC[N@@H+](C2CC2)CC1)C(=O)[O-]	REAL300013877008	0	51	0.0	-60.89	363.40	9.11	-51.78
CCC(CC)(CNC(=O)N1CCC[N@H+](C2CC2)CC1)C(=O)[O-]	REAL300013877008	1	51	0.0	-62.41	363.30	9.08	-53.33
CCC(CC)(CNC(=O)N1CCN(C2=CC(OC)=CC=[NH+]2)CC1)C(=O)[O-]	REAL300013877011	0	54	0.0	-61.38	392.46	6.69	-54.69
CCC(CC)(CNC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300013877017	0	52	0.0	-61.24	369.72	5.36	-55.88
CCC(CC)(CNC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300013877017	1	52	0.0	-65.59	380.63	5.22	-60.37
CCC(CC)(CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C(=O)[O-]	REAL300013877020	0	61	0.0	-59.18	428.56	7.64	-51.54
CCC(CC)(CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C(=O)[O-]	REAL300013877020	1	61	0.0	-64.49	431.48	7.32	-57.17
CCC(CC)(CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013877020	1	61	0.0	-70.25	426.83	7.57	-62.68
CCC(CC)(CNC(=O)N1CCCC1C[NH+]1CCCCC1)C(=O)[O-]	REAL300013877022	0	57	0.0	-55.98	394.06	9.63	-46.35
CCC(CC)(CNC(=O)N1CCCC1C[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013877024	1	61	0.0	-59.12	424.41	8.37	-50.75
CCC(CC)(CNC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300013877026	0	56	0.0	-62.68	396.55	7.87	-54.81
CCC(CC)(CNC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300013877026	1	56	0.0	-59.36	387.17	7.68	-51.68
CCC(CC)(CNC(=O)N1CC[N@@H+]2CCCCC2C1)C(=O)[O-]	REAL300013877027	0	51	0.0	-61.10	356.51	8.36	-52.74
CCC(CC)(CNC(=O)N1CC[N@H+]2CCCCC2C1)C(=O)[O-]	REAL300013877027	1	51	0.0	-61.17	360.69	8.07	-53.10
CCC(CC)(CNC(=O)N1CCN(CC[NH+]2C(C)CCC2C)CC1)C(=O)[O-]	REAL300013877028	0	65	0.0	-66.20	442.30	8.14	-58.06
CCC(CC)(CNC(=O)N(C)CC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013877030	0	56	0.0	-65.96	413.79	10.60	-55.36
CCC(CC)(CNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300013877034	0	61	0.0	-74.34	454.41	6.55	-67.79
CC[NH+](CC)CCN(CCOC)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013877035	0	59	0.0	-64.78	422.17	8.58	-56.20
CCC(CC)(CNC(=O)N(CCOC)CC[NH+](C)C)C(=O)[O-]	REAL300013877037	0	53	0.0	-58.54	392.26	6.99	-51.55
CCC(CC)(CNC(=O)NCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300013877043	0	53	0.0	-62.53	381.51	7.00	-55.53
CCC(CC)(CNC(=O)NCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300013877043	1	53	0.0	-60.31	376.83	7.15	-53.16
CCC(CC)(CNC(=O)NC1CC[N@@H+]2CCCCC12)C(=O)[O-]	REAL300013877054	0	51	0.0	-58.98	362.80	6.98	-52.00
CCC(CC)(CNC(=O)NC1CC[N@H+]2CCCCC12)C(=O)[O-]	REAL300013877054	1	51	0.0	-60.60	361.46	7.47	-53.13
CCC(CC)(CNC(=O)N1CCCC([NH+]2CCCC2)C1)C(=O)[O-]	REAL300013877068	0	54	0.0	-61.46	376.38	8.90	-52.56
CCC(CC)(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300013877115	0	58	0.0	-57.83	395.05	6.24	-51.59
CCC(CC)(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013877121	0	60	0.0	-58.56	424.05	11.00	-47.56
CCC(CC)(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013877121	1	60	0.0	-62.98	424.04	11.00	-51.98
C=C(C)C[NH+]1CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013877129	0	54	0.0	-63.88	393.02	7.82	-56.06
C=CC[NH+]1CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013877135	0	51	0.0	-64.48	373.68	7.23	-57.25
CC[NH+]1CCN(C2CCN(C(=O)NCC(CC)(CC)C(=O)[O-])C2)CC1	REAL300013877208	0	59	0.0	-70.15	419.66	6.86	-63.29
CCC(CC)(CNC(=O)NC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013877212	0	55	0.0	-54.89	393.41	5.08	-49.81
CCC(CC)(CNC(=O)NC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013877212	1	55	0.0	-56.31	395.61	5.30	-51.01
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC=N1)C(=O)[O-]	REAL300013877219	0	55	0.0	-62.30	408.35	9.16	-53.14
CCC(CC)(CNC(=O)NCC[NH+]1C(C)CCCC1C)C(=O)[O-]	REAL300013877235	0	56	0.0	-57.06	387.80	7.13	-49.93
CCC(CC)(CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300013877248	1	58	0.0	-68.60	434.67	7.49	-61.11
CCC(CC)(CNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013877253	0	56	0.0	-74.40	416.13	7.51	-66.89
CC[NH+](CC)C1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013877260	0	56	0.0	-64.91	379.68	8.87	-56.04
CCC(CC)(CNC(=O)NCC(C1=CC=C(C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013877305	0	56	0.0	-55.44	409.61	10.00	-45.44
CCC(CC)(CNC(=O)NC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300013877316	0	54	0.0	-61.96	390.14	5.69	-56.27
CCC(CC)(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013877326	0	60	0.0	-58.76	425.02	9.48	-49.28
CCC(CC)(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013877326	1	60	0.0	-62.31	434.10	10.17	-52.14
CCC(CC)(CNC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013877328	0	60	0.0	-67.81	438.80	10.26	-57.55
CCC(CC)(CNC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013877328	1	60	0.0	-68.14	434.04	9.91	-58.23
CCC(CC)(CNC(=O)N1CCCC([NH+]2CCCCC2)C1)C(=O)[O-]	REAL300013877330	0	57	0.0	-58.86	390.74	9.59	-49.27
CCC(CC)(CNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C(=O)[O-]	REAL300013877331	0	60	0.0	-61.34	419.97	6.44	-54.90
CCC(CC)(CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)C(=O)[O-]	REAL300013877332	0	64	0.0	-56.16	440.74	7.84	-48.32
CCC(CC)(CNC(=O)N1CCC([NH+]2CCCCC2)C1)C(=O)[O-]	REAL300013877335	0	54	0.0	-63.17	380.58	8.75	-54.42
CCC(CC)(CNC(=O)NCC1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300013877339	0	57	0.0	-66.33	414.72	6.21	-60.12
CCC(CC)(CNC(=O)NC1CC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300013877349	0	51	0.0	-63.20	376.31	7.62	-55.58
CCC(CC)(CNC(=O)NC1CC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300013877349	1	51	0.0	-64.71	376.87	7.25	-57.46
CCCC[N@@H+]1CCCCC1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013877355	0	59	0.0	-58.35	413.58	8.94	-49.41
CCCC[N@H+]1CCCCC1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013877355	1	59	0.0	-57.59	418.17	8.73	-48.86
CCC(CC)(CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013877359	0	67	0.0	-58.64	445.78	8.22	-50.42
CCC(CC)(CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013877359	1	67	0.0	-59.53	448.11	7.90	-51.63
CCC(CC)(CNC(=O)NCC1([N@H+](C)CC2=CC=CC=C2)CCC1)C(=O)[O-]	REAL300013877386	0	60	0.0	-58.24	426.22	10.04	-48.20
CCC(CC)(CNC(=O)NCC1([N@@H+](C)CC2=CC=CC=C2)CCC1)C(=O)[O-]	REAL300013877386	1	60	0.0	-59.36	432.64	9.45	-49.91
CCC(CC)(CNC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013877409	0	58	0.0	-71.31	417.09	6.41	-64.90
CCC(CC)(CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)C(=O)[O-]	REAL300013877415	0	58	0.0	-64.30	408.67	8.00	-56.30
CCC(CC)(CNC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013877420	0	58	0.0	-66.54	419.90	5.63	-60.91
CCC(CC)(CNC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013877420	1	58	0.0	-69.98	422.95	5.42	-64.56
CCC(CC)(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013877430	1	57	0.0	-60.86	408.08	11.05	-49.81
CCC(CC)(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013877430	1	57	0.0	-59.89	405.80	10.73	-49.16
CC[NH+](CC)CC(C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013877441	0	52	0.0	-61.94	371.52	6.75	-55.19
CCC(CC)(CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013877453	0	64	0.0	-65.41	436.51	7.60	-57.81
CC[N@@H+]1CCC2CCC(C1)N2C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013877468	0	54	0.0	-51.62	371.27	9.39	-42.23
CC[N@H+]1CCC2CCC(C1)N2C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013877468	1	54	0.0	-49.68	367.55	9.25	-40.43
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013877481	0	58	0.0	-61.01	429.99	10.47	-50.54
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CC=CS1)C(=O)[O-]	REAL300013877483	0	53	0.0	-70.37	406.82	9.93	-60.44
CCC(CC)(CNC(=O)N1CCCC12CC[NH+](C)CC2)C(=O)[O-]	REAL300013877522	0	54	0.0	-47.65	363.20	8.29	-39.36
CCC(CC)(CNC(=O)N1CC[N@H+](CC(C)(C)O)CC1C)C(=O)[O-]	REAL300013877536	0	57	0.0	-63.26	393.48	6.39	-56.87
CCC(CC)(CNC(=O)N1CC[N@@H+](CC(C)(C)O)CC1C)C(=O)[O-]	REAL300013877536	1	57	0.0	-58.90	394.11	6.60	-52.30
CCC(CC)(CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013877562	0	58	0.0	-66.86	408.88	7.96	-58.90
CCC(CC)(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013877565	0	63	0.0	-67.02	449.58	10.93	-56.09
CCC(CC)(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013877565	1	63	0.0	-63.21	449.56	10.93	-52.28
CCC(CC)(CNC(=O)NC(C)(C)CCC[NH+](C)C)C(=O)[O-]	REAL300013877589	0	55	0.0	-69.12	386.28	7.11	-62.01
CCC(CC)(CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C(=O)[O-]	REAL300013877593	0	54	0.0	-59.75	369.47	4.59	-55.16
CCC(CC)(CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C(=O)[O-]	REAL300013877593	1	54	0.0	-62.07	373.03	4.85	-57.22
CCC(CC)(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1)C(=O)[O-]	REAL300013877605	0	60	0.0	-65.77	430.24	11.79	-53.98
CCC(CC)(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1)C(=O)[O-]	REAL300013877605	1	60	0.0	-62.49	422.84	11.52	-50.97
CCC(CC)(CNC(=O)NC1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300013877612	0	51	0.0	-64.90	360.07	6.24	-58.66
CCC1C[N@H+](CC)CCN1C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013877614	0	53	0.0	-66.34	373.44	8.80	-57.54
CCC1C[N@@H+](CC)CCN1C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013877614	1	53	0.0	-66.10	370.39	8.76	-57.34
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1CCCCC1)C(=O)[O-]	REAL300013877615	0	62	0.0	-55.61	439.58	10.82	-44.79
CCC(CC)(CNC(=O)NCCCCCCC[NH+](C)C)C(=O)[O-]	REAL300013877616	0	58	0.0	-69.96	428.94	8.32	-61.64
CCC(CC)(CNC(=O)NC(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013877617	0	53	0.0	-66.21	382.11	7.18	-59.03
CCC(CC)(CNC(=O)NC1CC[N@H+](CCOC)C1)C(=O)[O-]	REAL300013877618	0	51	0.0	-63.00	376.57	5.14	-57.86
CCC(CC)(CNC(=O)NC1CC[N@@H+](CCOC)C1)C(=O)[O-]	REAL300013877618	1	51	0.0	-63.82	376.09	5.09	-58.73
CCC(CC)(CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013877630	0	58	0.0	-61.65	396.28	8.43	-53.22
CCC(CC)(CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013877630	1	58	0.0	-57.92	400.52	8.31	-49.61
CCC(CC)(CNC(=O)N(C)C1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013877632	0	63	0.0	-66.67	450.76	11.79	-54.88
CCC(CC)(CNC(=O)N(C)C1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013877632	1	63	0.0	-66.04	441.29	11.80	-54.24
CCC(CC)(CNC(=O)N1CCCC([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013877634	0	57	0.0	-62.20	390.05	9.90	-52.30
CCC(CC)(CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(=O)[O-]	REAL300013877639	0	57	0.0	-56.11	393.02	10.20	-45.91
CCC(CC)(CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)C(=O)[O-]	REAL300013877639	1	57	0.0	-54.29	393.65	10.16	-44.13
CCC(CC)(CNC(=O)N(C)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013877644	1	62	0.0	-64.30	446.36	9.89	-54.41
CCC(CC)(CNC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300013877645	1	54	0.0	-68.53	391.32	5.48	-63.05
CCC(CC)(CNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1)C(=O)[O-]	REAL300013877651	0	66	0.0	-64.30	451.10	11.15	-53.15
CCC(CC)(CNC(=O)NC1CC(C)[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300013877656	0	51	0.0	-59.70	372.43	6.63	-53.07
CCC(CC)(CNC(=O)NC1CC(C)[N@H+](C2CC2)C1)C(=O)[O-]	REAL300013877656	1	51	0.0	-58.58	370.46	7.18	-51.40
CCC(CC)(CNC(=O)N(C)C1CC[N@H+](C)CC1C)C(=O)[O-]	REAL300013877668	0	53	0.0	-59.81	356.28	7.63	-52.18
CCC(CC)(CNC(=O)N(C)C1CC[N@@H+](C)CC1C)C(=O)[O-]	REAL300013877668	1	53	0.0	-70.25	377.41	8.68	-61.57
CCC(CC)(CNC(=O)NC(C)C(C)(C)C[NH+](C)C)C(=O)[O-]	REAL300013877669	0	55	0.0	-67.82	380.04	7.42	-60.40
CCC(CC)(CNC(=O)N(C)CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013877698	0	62	0.0	-69.69	447.37	9.42	-60.27
CC[N@H+](CCC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1)CC1CC1	REAL300013877712	0	66	0.0	-68.90	465.86	12.04	-56.86
CC[N@@H+](CCC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1)CC1CC1	REAL300013877712	1	66	0.0	-66.17	461.27	12.19	-53.98
CCC(CC)(CNC(=O)N1CC[N@H+](CC(C)(C)O)C(C)C1)C(=O)[O-]	REAL300013877730	0	57	0.0	-59.14	399.41	5.65	-53.49
CCC(CC)(CNC(=O)N1CC[N@@H+](CC(C)(C)O)C(C)C1)C(=O)[O-]	REAL300013877730	1	57	0.0	-61.70	393.00	6.65	-55.05
CCC(CC)(CNC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300013877741	0	51	0.0	-61.93	363.25	4.81	-57.12
CCC(CC)(CNC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300013877741	1	51	0.0	-65.99	365.22	4.44	-61.55
CCC(CC)(CNC(=O)N(C)CC1([NH+](C)C)CCC1)C(=O)[O-]	REAL300013877745	0	53	0.0	-53.05	360.53	8.05	-45.00
CCC(CC)(CNC(=O)NCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300013877759	1	48	0.0	-60.63	367.40	7.08	-53.55
CCC(CC)(CNC(=O)NC(C[NH+](C)C)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300013877775	0	53	0.0	-58.31	411.94	8.81	-49.50
CCC(CC)(CNC(=O)N1CC[NH+](C[C@H](C)O)CC1)C(=O)[O-]	REAL300013877776	1	51	0.0	-57.85	363.72	4.74	-53.11
CCC(CC)(CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)C(=O)[O-]	REAL300013877777	1	51	0.0	-60.03	368.30	4.58	-55.45
CCC(CC)(CNC(=O)N1CC[N@H+](CC(C)O)CC1C)C(=O)[O-]	REAL300013877778	0	54	0.0	-62.72	380.23	5.56	-57.16
CCC(CC)(CNC(=O)N1CC[N@@H+](CC(C)O)CC1C)C(=O)[O-]	REAL300013877778	1	54	0.0	-59.00	378.31	5.36	-53.64
CCC(CC)(CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C(=O)[O-]	REAL300013877779	0	54	0.0	-58.91	370.91	5.01	-53.90
CCC(CC)(CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C(=O)[O-]	REAL300013877779	1	54	0.0	-59.83	370.78	5.46	-54.37
CCC(C)[NH+]1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013877805	0	53	0.0	-59.84	368.65	8.13	-51.71
CCC(CC)(CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013877808	0	61	0.0	-73.58	426.15	8.88	-64.70
CCC(CC)(CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)[O-]	REAL300013877821	0	65	0.0	-53.53	412.10	10.14	-43.39
CCC(CC)(CNC(=O)N1CC[N@H+](C)CC1C(C)C)C(=O)[O-]	REAL300013877830	0	53	0.0	-68.21	357.07	7.12	-61.09
CCC(CC)(CNC(=O)N1CC[N@@H+](C)CC1C(C)C)C(=O)[O-]	REAL300013877830	1	53	0.0	-59.65	350.59	7.13	-52.52
CCC(CC)(CNC(=O)N1CCC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300013877847	0	51	0.0	-57.91	343.96	8.74	-49.17
CCC(CC)(CNC(=O)N1CCC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300013877847	1	51	0.0	-54.71	349.32	8.61	-46.10
CCC(CC)(CNC(=O)NCCC[N@@H+]1CCCC1C(=O)N(C)C)C(=O)[O-]	REAL300013877848	0	60	0.0	-69.97	434.00	6.37	-63.60
CCC(CC)(CNC(=O)NCCC[N@H+]1CCCC1C(=O)N(C)C)C(=O)[O-]	REAL300013877848	1	60	0.0	-64.65	437.13	6.55	-58.10
CCC(CC)(CNC(=O)N1CCC([N@H+](C)CCCO)CC1)C(=O)[O-]	REAL300013877849	0	57	0.0	-67.11	404.12	5.66	-61.45
CCC(CC)(CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)C(=O)[O-]	REAL300013877849	1	57	0.0	-69.60	399.97	5.95	-63.65
CCC(CC)(CNC(=O)NCC1(O)CC[NH+](C)CC1)C(=O)[O-]	REAL300013877857	0	51	0.0	-66.64	368.08	3.85	-62.79
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CC=CO1)C(=O)[O-]	REAL300013877883	0	53	0.0	-66.10	391.15	8.95	-57.15
CCC(CC)(CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013877904	0	56	0.0	-68.73	412.43	6.17	-62.56
CC[N@H+](CCC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1)CC(C)C	REAL300013877922	0	68	0.0	-68.46	466.98	12.08	-56.38
CC[N@@H+](CCC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1)CC(C)C	REAL300013877922	1	68	0.0	-67.78	471.60	11.92	-55.86
CCC(CC)(CNC(=O)N1CC[N@H+](CCC(=O)OC)CC1C)C(=O)[O-]	REAL300013877933	1	56	0.0	-69.40	408.92	8.61	-60.79
CCC(CC)(CNC(=O)N1CC[N@@H+](CCC(=O)OC)CC1C)C(=O)[O-]	REAL300013877933	1	56	0.0	-70.25	406.99	8.40	-61.85
CCC(CC)(CNC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013877956	0	56	0.0	-73.73	424.24	8.89	-64.84
CCC(CC)(CNC(=O)N1CCC([NH2+]C2CCS(=O)(=O)C2)CC1)C(=O)[O-]	REAL300013877966	0	57	0.0	-89.43	419.75	4.15	-85.28
CCC(CC)(CNC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013877996	0	61	0.0	-74.61	451.14	9.04	-65.57
CCC(CC)(CNC(=O)N1CC[N@H+](C)C(CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013878003	1	57	0.0	-68.60	408.66	10.62	-57.98
CCC(CC)(CNC(=O)N1CC[N@@H+](C)C(CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013878003	1	57	0.0	-71.61	409.57	10.62	-60.99
CCC(CC)(CNC(=O)NC(C[NH+](C)C)C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300013878007	0	57	0.0	-59.04	419.99	7.78	-51.26
CC[NH+]1CCN(CC(C)(C)NC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013878028	0	61	0.0	-66.34	424.94	7.27	-59.07
CCN1CC[NH+](CC(C)(C)NC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013878028	1	61	0.0	-62.23	421.02	6.75	-55.48
CCC(CC)(CNC(=O)NC(C)(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300013878044	0	53	0.0	-61.18	366.68	7.82	-53.36
CCC(CC)(CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)C(=O)[O-]	REAL300013878049	0	56	0.0	-75.26	414.82	9.52	-65.74
CCC(CC)(CNC(=O)N(C)C1CC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300013878050	0	53	0.0	-59.93	371.64	8.27	-51.66
CCC(CC)(CNC(=O)N(C)C1CC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300013878050	1	53	0.0	-60.74	370.63	8.24	-52.50
CCC(CC)(CNC(=O)N1CCC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013878072	0	60	0.0	-58.89	419.23	11.45	-47.44
CCC(CC)(CNC(=O)N1CCC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013878072	1	60	0.0	-61.00	424.46	11.71	-49.29
CCC(CC)(CNC(=O)NCC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013878079	0	58	0.0	-67.40	433.08	6.00	-61.40
CCC(CC)(CNC(=O)NCC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013878079	1	58	0.0	-68.03	434.10	6.21	-61.82
CCC(CC)(CNC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300013878083	1	61	0.0	-60.56	451.72	8.84	-51.72
CCC(CC)(CNC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300013878083	1	61	0.0	-68.43	439.29	8.64	-59.79
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1CCCO1)C(=O)[O-]	REAL300013878092	0	57	0.0	-62.24	404.32	8.57	-53.67
CCC(CC)(CNC(=O)NC(C)C[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013878098	1	62	0.0	-67.55	450.25	8.35	-59.20
CCC(CC)(CNC(=O)NCC1CC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300013878117	0	56	0.0	-63.57	400.78	7.74	-55.83
CCC(CC)(CNC(=O)NCC1CC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300013878117	1	56	0.0	-63.15	401.91	7.84	-55.31
CCC(CC)(CNC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013878131	0	57	0.0	-61.80	420.05	9.46	-52.34
CCC(CC)(CNC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013878131	1	57	0.0	-59.82	413.03	8.93	-50.89
CCC(CC)(CNC(=O)NC1C[N@@H+](C2CC2)CC1C)C(=O)[O-]	REAL300013878136	0	51	0.0	-60.75	377.86	7.02	-53.73
CCC(CC)(CNC(=O)NC1C[N@H+](C2CC2)CC1C)C(=O)[O-]	REAL300013878136	1	51	0.0	-60.55	373.76	7.34	-53.21
CCC(CC)(CNC(=O)N(CC[NH+](C)C)C1CCCC1)C(=O)[O-]	REAL300013878140	0	56	0.0	-62.51	395.03	9.44	-53.07
CCC(CC)(CNC(=O)NCC(CC(C)C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300013878141	0	65	0.0	-60.19	465.55	9.81	-50.38
CCC(C[NH+]1CCCC1)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013878142	0	53	0.0	-63.49	374.98	7.00	-56.49
CCCC1CN(C(=O)NCC(CC)(CC)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013878162	0	63	0.0	-61.18	451.88	11.81	-49.37
CCCC1CN(C(=O)NCC(CC)(CC)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013878162	1	63	0.0	-63.57	444.15	12.35	-51.22
CCC(CC)(CNC(=O)NC(C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013878163	0	56	0.0	-66.72	416.96	9.28	-57.44
CCC(CC)(CNC(=O)NC(C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013878163	1	56	0.0	-63.59	416.82	9.24	-54.35
CCN(CCC[NH+](C)C)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013878173	0	52	0.0	-61.68	373.65	8.61	-53.07
CCCN(CCC[NH+](C)C)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013878180	0	55	0.0	-61.90	401.25	9.68	-52.22
CCC(CC)(CNC(=O)NCCOCC[NH+](C)C)C(=O)[O-]	REAL300013878181	0	50	0.0	-59.23	371.12	4.82	-54.41
CCN(CCC[NH+](CC)CC)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013878186	0	58	0.0	-63.61	409.56	9.55	-54.06
CCN(CCC[NH+]1CCCC1)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013878187	0	56	0.0	-60.97	401.66	9.97	-51.00
CCC(CC)(CNC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C)C(=O)[O-]	REAL300013878204	0	54	0.0	-66.51	383.11	6.73	-59.78
CCC(CC)(CNC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C)C(=O)[O-]	REAL300013878204	1	54	0.0	-55.92	386.79	7.20	-48.72
CCC(CC)(CNC(=O)NC(C)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013878207	0	56	0.0	-61.67	401.03	9.07	-52.60
CCC(CC)(CNC(=O)NC(C)C(C1=CC=CC=C1C)[NH+](C)C)C(=O)[O-]	REAL300013878208	0	59	0.0	-60.86	409.80	9.72	-51.14
CCC[N@H+](C)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013878211	0	59	0.0	-65.03	439.71	9.51	-55.52
CCC[N@@H+](C)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013878211	1	59	0.0	-59.71	436.40	9.69	-50.02
CCC(CC)(CNC(=O)NCCCC[N@H+](C)C1CC1)C(=O)[O-]	REAL300013878226	0	53	0.0	-66.25	393.71	7.38	-58.87
CCC(CC)(CNC(=O)NCCCC[N@@H+](C)C1CC1)C(=O)[O-]	REAL300013878226	1	53	0.0	-64.43	391.05	7.72	-56.71
CCC(CC)(CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300013878256	1	59	0.0	-64.70	401.65	5.01	-59.69
CCC(CC)(CNC(=O)N(C)C1CC[N@H+](C)C(C)C1)C(=O)[O-]	REAL300013878267	0	53	0.0	-66.40	362.55	8.08	-58.32
CCC(CC)(CNC(=O)N(C)C1CC[N@@H+](C)C(C)C1)C(=O)[O-]	REAL300013878267	1	53	0.0	-66.14	362.51	8.07	-58.07
CCC(CC)(CNC(=O)NCCCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300013878276	1	51	0.0	-62.11	386.85	7.70	-54.41
CCC(CC)(CNC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300013878278	0	57	0.0	-61.40	408.10	8.60	-52.80
CCC(CC)(CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)C(=O)[O-]	REAL300013878320	0	54	0.0	-61.00	378.63	6.02	-54.98
CCC(CC)(CNC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300013878361	0	61	0.0	-61.08	423.78	5.81	-55.27
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300013878401	0	60	0.0	-55.96	443.63	9.92	-46.04
CCC(C)[NH2+]C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=CO1	REAL300013878429	0	56	0.0	-56.62	412.94	6.75	-49.87
CCC(CC)(CNC(=O)NCCC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300013878456	0	53	0.0	-69.74	375.12	6.40	-63.34
CCC(CC)(CNC(=O)NCCC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300013878456	1	53	0.0	-69.03	375.13	6.41	-62.62
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CSC=C1)C(=O)[O-]	REAL300013878458	0	53	0.0	-73.13	405.18	9.76	-63.37
CCC(CC)(CNC(=O)NCC[N@H+](C)CCCOC)C(=O)[O-]	REAL300013878508	0	53	0.0	-66.83	394.34	4.91	-61.92
CCC(CC)(CNC(=O)NCC[N@@H+](C)CCCOC)C(=O)[O-]	REAL300013878508	1	53	0.0	-64.68	391.69	5.25	-59.43
CCC(CC)(CNC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013878522	0	58	0.0	-65.21	416.44	5.29	-59.92
CCC(CC)(CNC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013878522	1	58	0.0	-66.58	416.61	6.03	-60.55
CCN1CC[NH+](CC(C)CNC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013878523	0	61	0.0	-62.96	434.58	6.10	-56.86
CC[NH+]1CCN(CC(C)CNC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013878523	1	61	0.0	-66.98	437.68	6.39	-60.59
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300013878525	0	65	0.0	-70.09	480.39	10.94	-59.15
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300013878525	1	65	0.0	-70.27	480.66	10.93	-59.34
CCC(CC)(CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300013878536	0	57	0.0	-62.86	400.35	4.78	-58.08
CCC(CC)(CNC(=O)NC1C(C)C[NH+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013878549	0	63	0.0	-70.30	453.70	10.16	-60.14
CCC(CC)(CNC(=O)N(C)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013878566	0	58	0.0	-65.68	418.80	7.03	-58.65
CCC(CC)(CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013878566	1	58	0.0	-59.99	415.77	7.24	-52.75
CCC(CC)(CNC(=O)N1CCCC2C[N@H+](C)CCC21)C(=O)[O-]	REAL300013878567	0	54	0.0	-65.87	364.58	8.55	-57.32
CCC(CC)(CNC(=O)N1CCCC2C[N@@H+](C)CCC21)C(=O)[O-]	REAL300013878567	1	54	0.0	-63.93	363.13	8.38	-55.55
CCC(CC)(CNC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013878574	0	60	0.0	-66.06	439.81	10.19	-55.87
CCC(CC)(CNC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013878574	1	60	0.0	-59.15	439.14	10.05	-49.10
CCC(CC)(CNC(=O)NCC1(C)CC[NH+](C)CC1)C(=O)[O-]	REAL300013878585	0	53	0.0	-65.03	370.09	6.98	-58.05
CCC(CC)(CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013878586	0	64	0.0	-72.66	447.65	9.66	-63.00
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013878602	0	63	0.0	-61.29	455.13	11.40	-49.89
CCC(CC)(CNC(=O)NCC(C)(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300013878614	0	56	0.0	-63.28	386.62	7.93	-55.35
CC[N@H+](CCNC(=O)NCC(CC)(CC)C(=O)[O-])CCC(F)(F)F	REAL300013878633	0	52	0.0	-66.26	392.09	7.05	-59.21
CC[N@@H+](CCNC(=O)NCC(CC)(CC)C(=O)[O-])CCC(F)(F)F	REAL300013878633	1	52	0.0	-67.65	390.87	6.97	-60.68
CCCN(CC[NH+]1CCCC1)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013878637	0	56	0.0	-62.72	405.69	10.09	-52.63
CCC(CC)(CNC(=O)N1CC([NH+]2CCCC2)CC1C)C(=O)[O-]	REAL300013878643	0	54	0.0	-62.91	386.32	8.60	-54.31
CCC(CC)(CNC(=O)N1CC([N@H+](C)CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013878646	0	54	0.0	-67.25	406.73	9.64	-57.61
CCC(CC)(CNC(=O)N1CC([N@@H+](C)CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013878646	1	54	0.0	-68.74	406.53	9.66	-59.08
CCC(CC)(CNC(=O)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1)C(=O)[O-]	REAL300013878647	0	61	0.0	-72.85	445.93	11.27	-61.58
CCC(CC)(CNC(=O)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1)C(=O)[O-]	REAL300013878647	1	61	0.0	-74.41	445.27	11.27	-63.14
CCC(CC)(CNC(=O)N(C)C1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300013878653	0	54	0.0	-68.13	372.89	8.30	-59.83
CCCN(CC[NH+]1CCCCC1)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013878654	0	59	0.0	-61.38	419.53	10.28	-51.10
CCC(CC)(CNC(=O)N1CCC([NH+](CCOC)CCOC)CC1)C(=O)[O-]	REAL300013878664	0	64	0.0	-62.72	441.29	7.58	-55.14
CCC(CC)(CNC(=O)NC1CC2CCC(C1)[NH+]2CC(=O)N(C)C)C(=O)[O-]	REAL300013878667	0	61	0.0	-70.63	430.02	6.87	-63.76
CCC[NH+]1CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013878691	0	53	0.0	-66.49	383.28	7.07	-59.42
CCC(CC)(CNC(=O)N1CC2C[N@H+](C)C(C3=CC=CC=C3)C2C1)C(=O)[O-]	REAL300013878707	0	58	0.0	-66.72	420.14	11.06	-55.66
CCC(CC)(CNC(=O)N1CC2C[N@@H+](C)C(C3=CC=CC=C3)C2C1)C(=O)[O-]	REAL300013878707	1	58	0.0	-71.97	417.21	10.39	-61.58
CCC(CC)(CNC(=O)NC1CCCCC1[NH+]1CCOCC1)C(=O)[O-]	REAL300013878726	1	58	0.0	-57.29	405.98	6.99	-50.30
CCC(CC)(CNC(=O)N1CCC(CC[N@@H+]2CCCCC2C)CC1)C(=O)[O-]	REAL300013878729	0	66	0.0	-70.36	445.82	11.47	-58.89
CCC(CC)(CNC(=O)N1CCC(CC[N@H+]2CCCCC2C)CC1)C(=O)[O-]	REAL300013878729	1	66	0.0	-69.67	449.01	11.17	-58.50
CCC(CC)(CNC(=O)NCC1=CC=C(C)[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300013878766	1	56	0.0	-57.36	409.49	7.82	-49.54
CCC(CC)(CNC(=O)NC(C)C1=CC[N@H+](C)CC1)C(=O)[O-]	REAL300013878767	0	51	0.0	-66.07	369.94	7.18	-58.89
CCC(CC)(CNC(=O)NC(C)C1=CC[N@@H+](C)CC1)C(=O)[O-]	REAL300013878767	1	51	0.0	-70.62	374.61	7.01	-63.61
CCC(CC)(CNC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300013878769	0	60	0.0	-67.01	428.04	9.12	-57.89
CCC(CC)(CNC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300013878769	1	60	0.0	-62.52	421.01	9.11	-53.41
CCC(CC)(CNC(=O)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300013878771	0	61	0.0	-60.42	411.29	10.75	-49.67
CCC(CC)(CNC(=O)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300013878771	1	61	0.0	-56.61	425.42	11.33	-45.28
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300013878772	0	58	0.0	-59.50	429.03	6.73	-52.77
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300013878772	1	58	0.0	-64.01	430.64	6.43	-57.58
CC[NH+](CC)CCCC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013878785	0	65	0.0	-68.10	450.26	11.01	-57.09
CCC(CC)(CNC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013878797	1	58	0.0	-58.73	427.28	10.26	-48.47
CCC(CC)(CNC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013878797	1	58	0.0	-62.53	425.59	9.51	-53.02
CCC(CC)(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013878799	0	61	0.0	-65.07	440.52	8.56	-56.51
CCC(CC)(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013878799	1	61	0.0	-67.51	445.80	8.35	-59.16
CCC(CC)(CNC(=O)NCCC[N@@H+]1CCCOC(C)C1)C(=O)[O-]	REAL300013878821	0	57	0.0	-67.78	409.22	6.60	-61.18
CCC(CC)(CNC(=O)NCCC[N@H+]1CCCOC(C)C1)C(=O)[O-]	REAL300013878821	1	57	0.0	-64.66	406.13	6.44	-58.22
CCC(CC)(CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013878824	0	62	0.0	-69.14	429.24	8.00	-61.14
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013878831	0	53	0.0	-61.03	387.05	6.98	-54.05
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013878831	1	53	0.0	-60.74	378.57	6.88	-53.86
CCC(CC)(CNC(=O)N(C)CCC[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013878839	0	56	0.0	-69.50	419.65	9.44	-60.06
CCC(CC)(CNC(=O)N(C)CCC[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013878839	1	56	0.0	-62.98	413.89	9.51	-53.47
CCC(CC)(CNC(=O)N1CCC([NH+]2CCCC2)C1C)C(=O)[O-]	REAL300013878859	0	54	0.0	-63.00	379.53	8.67	-54.33
CCN(CC[NH+]1CCCCCC1)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013878862	0	59	0.0	-59.46	404.42	9.94	-49.52
CCC(CC)(CNC(=O)N(C)CCC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300013878866	0	56	0.0	-64.14	393.44	9.30	-54.84
CCC(CC)(CNC(=O)N(C)CCC1CCCC[N@H+]1C)C(=O)[O-]	REAL300013878866	1	56	0.0	-61.59	392.84	9.31	-52.28
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013878873	0	60	0.0	-62.86	418.79	11.14	-51.72
CCC(CC)(CNC(=O)N1CCC2C(CCC[N@@H+]2C)C1)C(=O)[O-]	REAL300013878912	0	54	0.0	-65.41	376.84	8.59	-56.82
CCC(CC)(CNC(=O)N1CCC2C(CCC[N@H+]2C)C1)C(=O)[O-]	REAL300013878912	1	54	0.0	-67.08	376.94	8.57	-58.51
CCC(CC)(CNC(=O)N1CCN(C(=O)C2CCC[N@@H+]2C)CC1)C(=O)[O-]	REAL300013878923	0	58	0.0	-65.71	410.47	8.11	-57.60
CCC(CC)(CNC(=O)N1CCN(C(=O)C2CCC[N@H+]2C)CC1)C(=O)[O-]	REAL300013878923	1	58	0.0	-66.68	407.53	7.79	-58.89
CCC(CC)(CNC(=O)N1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300013878924	0	57	0.0	-62.20	391.78	9.18	-53.02
CCC(CC)(CNC(=O)N1CCN(C2=CC(C)=CC=[NH+]2)CC1)C(=O)[O-]	REAL300013878927	1	53	0.0	-59.71	384.22	8.03	-51.68
CCC(CC)(CNC(=O)NNC1=[NH+]N=CC(N)=C1Cl)C(=O)[O-]	REAL300013878937	0	41	0.0	-51.62	332.90	2.72	-48.90
CCC(CC)(CNC(=O)NCC1CCCC[N@@H+]1C1CC1)C(=O)[O-]	REAL300013878992	0	54	0.0	-57.69	378.51	7.48	-50.21
CCC(CC)(CNC(=O)NCC1CCCC[N@H+]1C1CC1)C(=O)[O-]	REAL300013878992	1	54	0.0	-59.99	384.19	7.26	-52.73
CCC(CC)(CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)C(=O)[O-]	REAL300013879012	0	56	0.0	-62.16	397.35	7.39	-54.77
CCC(CC)(CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)C(=O)[O-]	REAL300013879012	1	56	0.0	-60.53	394.36	7.38	-53.15
CCC(CC)(CNC(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300013879024	0	53	0.0	-62.01	401.62	8.35	-53.66
CCC(CC)(CNC(=O)NCC(C1=CC=C(OC(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013879035	0	63	0.0	-57.39	455.51	10.11	-47.28
CCC(CC)(CNC(=O)NCC(C1=CC=C(CC(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013879046	0	65	0.0	-66.43	473.80	10.72	-55.71
CCC(CC)(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300013879063	0	57	0.0	-64.13	417.28	8.77	-55.36
CCC(CC)(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300013879063	1	57	0.0	-62.64	412.33	9.37	-53.27
CCC(CC)(CNC(=O)N1CCC([N@H+](C)CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879070	0	57	0.0	-69.25	420.45	10.32	-58.93
CCC(CC)(CNC(=O)N1CCC([N@@H+](C)CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879070	1	57	0.0	-67.42	420.41	10.31	-57.11
CCC(CC)(CNC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013879085	0	57	0.0	-65.49	410.00	8.32	-57.17
CCC(CC)(CNC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013879085	1	57	0.0	-65.31	409.75	8.31	-57.00
CCC(CC)(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO)C(=O)[O-]	REAL300013879117	0	61	0.0	-56.95	439.23	6.41	-50.54
CCC(CC)(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO)C(=O)[O-]	REAL300013879117	1	61	0.0	-60.50	446.85	6.95	-53.55
CCC(CC)(CNC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300013879138	1	51	0.0	-60.83	365.00	5.19	-55.64
CCC(CC)(CNC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300013879138	1	51	0.0	-69.55	374.44	5.29	-64.26
CCC(CC)(CNC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300013879146	0	56	0.0	-61.30	393.97	7.73	-53.57
CCC(CC)(CNC(=O)N(C)C(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013879154	0	56	0.0	-67.93	390.89	9.59	-58.34
CC[NH+](CC)CCOCCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879167	0	56	0.0	-59.54	407.21	5.74	-53.80
CCC(CC)(CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013879173	0	65	0.0	-68.77	434.91	8.18	-60.59
CCC(CC)(CNC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300013879178	0	54	0.0	-64.45	389.30	7.58	-56.87
CCC(CC)(CNC(=O)N1CCC(OC2=CC=[NH+]C=C2C)CC1)C(=O)[O-]	REAL300013879191	1	55	0.0	-70.97	405.52	8.42	-62.55
CCC(CC)(CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(=O)[O-]	REAL300013879210	0	58	0.0	-60.23	403.01	7.81	-52.42
CCC(CC)(CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(=O)[O-]	REAL300013879210	1	58	0.0	-62.00	396.36	7.75	-54.25
CCC(CC)(CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C(=O)[O-]	REAL300013879211	0	58	0.0	-64.60	401.11	7.61	-56.99
CCC(CC)(CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C(=O)[O-]	REAL300013879211	1	58	0.0	-62.41	398.20	7.95	-54.46
CCC(CC)(CNC(=O)NCC1=CC=NC=C1OCCC[NH+](C)C)C(=O)[O-]	REAL300013879221	0	59	0.0	-72.13	448.30	6.71	-65.42
CCC(CC)(CNC(=O)N(C)CCC[N@H+](C)CCN(C)C)C(=O)[O-]	REAL300013879223	0	60	0.0	-63.78	433.62	7.04	-56.74
CCC(CC)(CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)C(=O)[O-]	REAL300013879223	1	60	0.0	-63.31	433.75	7.06	-56.25
CCC(CC)(CNC(=O)N(C)CCCN(C)CC[NH+](C)C)C(=O)[O-]	REAL300013879223	1	60	0.0	-70.96	433.72	7.21	-63.75
CCCN(CC[NH+]1CCCCCC1)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879224	0	62	0.0	-59.43	429.60	10.83	-48.60
CCC(CC)(CNC(=O)N[C@H](C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013879230	0	56	0.0	-61.00	414.12	9.57	-51.43
CCC(CC)(CNC(=O)N[C@H](C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013879230	1	56	0.0	-66.90	416.86	9.24	-57.66
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879249	0	55	0.0	-55.95	396.19	8.01	-47.94
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879249	1	55	0.0	-64.83	400.90	7.86	-56.97
CCC[N@H+](C)CC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013879282	0	56	0.0	-67.95	398.53	9.11	-58.84
CCC[N@@H+](C)CC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013879282	1	56	0.0	-67.77	399.91	9.29	-58.48
CC[NH+](CC)C1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013879283	0	53	0.0	-65.54	375.12	7.79	-57.75
CCC(CC)(CNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879291	0	57	0.0	-63.00	412.39	9.94	-53.06
CCC(CC)(CNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879291	1	57	0.0	-64.17	418.06	9.21	-54.96
CCC(CC)(CNC(=O)N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879304	0	60	0.0	-65.48	436.70	11.27	-54.21
CCC(CC)(CNC(=O)N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879304	1	60	0.0	-63.42	433.90	11.45	-51.97
CCC(CC)(CNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)C(=O)[O-]	REAL300013879312	0	65	0.0	-68.44	446.20	8.29	-60.15
CC[N@@H+]1CCC(N(C)C(=O)NCC(CC)(CC)C(=O)[O-])C(C)C1	REAL300013879329	0	56	0.0	-68.06	392.88	9.67	-58.39
CC[N@H+]1CCC(N(C)C(=O)NCC(CC)(CC)C(=O)[O-])C(C)C1	REAL300013879329	1	56	0.0	-66.78	390.36	9.49	-57.29
CCC(CC)(CNC(=O)NCC1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300013879333	0	59	0.0	-63.88	414.09	8.43	-55.45
CCC(CC)(CNC(=O)NCC1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300013879333	1	59	0.0	-65.46	421.00	8.46	-57.00
CCC(CC)(CNC(=O)N1CCC2C(CCC[N@@H+]2C2CC2)C1)C(=O)[O-]	REAL300013879341	0	58	0.0	-65.50	397.11	9.79	-55.71
CCC(CC)(CNC(=O)N1CCC2C(CCC[N@H+]2C2CC2)C1)C(=O)[O-]	REAL300013879341	1	58	0.0	-66.61	396.54	9.38	-57.23
CCC1CN(C(=O)NCC(CC)(CC)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013879360	0	60	0.0	-62.76	430.89	11.07	-51.69
CCC1CN(C(=O)NCC(CC)(CC)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013879360	1	60	0.0	-59.05	430.86	11.07	-47.98
CCC(CC)(CNC(=O)NCC1(C[NH+](C)C)CCCC1)C(=O)[O-]	REAL300013879371	0	56	0.0	-64.38	385.06	8.02	-56.36
CCC(CC)(CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013879408	1	57	0.0	-64.77	414.10	7.78	-56.99
CCC(CC)(CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013879408	1	57	0.0	-59.91	408.12	7.84	-52.07
CCC(CC)(CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C(=O)[O-]	REAL300013879409	1	57	0.0	-61.85	403.96	7.60	-54.25
CCC(CC)(CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C(=O)[O-]	REAL300013879409	1	57	0.0	-61.25	404.34	7.97	-53.28
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879427	0	55	0.0	-58.90	398.64	8.12	-50.78
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879427	1	55	0.0	-62.03	396.18	8.00	-54.03
CCC(CC)(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)C(=O)[O-]	REAL300013879429	0	52	0.0	-60.02	369.23	7.63	-52.39
CCC(CC)(CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300013879429	1	52	0.0	-56.18	374.58	6.84	-49.34
CCCC[N@H+](C)CC(C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879431	0	55	0.0	-58.46	398.16	8.14	-50.32
CCCC[N@@H+](C)CC(C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879431	1	55	0.0	-59.98	400.88	7.86	-52.12
CCC(CC)(CNC(=O)NCC1=CC(C)=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300013879439	1	56	0.0	-57.55	422.24	6.75	-50.80
CCC(CC)(CNC(=O)NCC1(SC)CC[NH+](C)CC1)C(=O)[O-]	REAL300013879441	0	54	0.0	-62.84	388.92	7.32	-55.52
CCC(CC)(CNC(=O)N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013879459	0	60	0.0	-56.77	420.09	11.26	-45.51
CCC(CC)(CNC(=O)N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013879459	1	60	0.0	-62.81	425.10	11.57	-51.24
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879465	0	63	0.0	-67.66	460.25	12.34	-55.32
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879465	1	63	0.0	-66.11	460.84	12.29	-53.82
CCC(CC)(CNC(=O)N1CCC2CCC(C1)[N@@H+]2C)C(=O)[O-]	REAL300013879481	0	51	0.0	-62.94	340.57	7.48	-55.46
CCC(CC)(CNC(=O)N1CCC2CCC(C1)[N@H+]2C)C(=O)[O-]	REAL300013879481	1	51	0.0	-55.99	340.79	7.49	-48.50
CCC(CC)(CNC(=O)N(C)CCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300013879493	1	51	0.0	-58.72	387.68	9.15	-49.57
CCC(CC)(CNC(=O)N(CC[NH+](C)C)C(C)C)C(=O)[O-]	REAL300013879504	0	52	0.0	-53.63	367.24	8.42	-45.21
CCC(CC)(CNC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013879511	0	59	0.0	-68.44	431.20	8.15	-60.29
CCC(CC)(CNC(=O)NCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879514	0	60	0.0	-63.54	432.52	9.52	-54.02
CCC(CC)(CNC(=O)NCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879514	1	60	0.0	-66.83	444.03	9.72	-57.11
CCC(CC)(CNC(=O)NCC1(O)CC[N@H+](C)C1)C(=O)[O-]	REAL300013879530	0	48	0.0	-64.60	355.57	2.50	-62.10
CCC(CC)(CNC(=O)NCC1(O)CC[N@@H+](C)C1)C(=O)[O-]	REAL300013879530	1	48	0.0	-64.45	356.23	2.50	-61.95
CCCN(CC[NH+](CC)CC)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879539	0	58	0.0	-59.42	411.86	10.08	-49.34
CCC(CC)(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013879551	0	57	0.0	-65.24	419.00	9.95	-55.29
CCC(CC)(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013879551	1	57	0.0	-62.58	419.89	9.38	-53.20
CCC(CC)(CNC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300013879577	0	56	0.0	-55.62	379.80	7.65	-47.97
CCC(CC)(CNC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300013879577	1	56	0.0	-58.31	378.54	7.66	-50.65
CCC(CC)(CNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879586	0	57	0.0	-66.05	421.13	9.32	-56.73
CCC(CC)(CNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879586	1	57	0.0	-66.35	421.50	9.31	-57.04
CC[NH+](CC)[C@H](C)CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879602	0	52	0.0	-60.08	363.47	6.99	-53.09
CCC(CC)(CNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013879604	0	58	0.0	-67.40	419.42	10.87	-56.53
CCC(CC)(CNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013879604	1	58	0.0	-73.83	424.66	10.69	-63.14
CCC(CC)(CNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879610	0	63	0.0	-69.10	450.88	10.64	-58.46
CCC(CC)(CNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879610	1	63	0.0	-67.43	451.40	10.55	-56.88
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879618	0	55	0.0	-54.35	384.02	8.41	-45.94
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879618	1	55	0.0	-59.57	388.01	7.63	-51.94
CCC[N@H+](CC)C[C@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879623	0	55	0.0	-57.12	397.35	7.77	-49.35
CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879623	1	55	0.0	-63.42	397.07	7.76	-55.66
CCC(CC)(CNC(=O)N1CCCC(C[N@@H+]2CCCCC2C)C1)C(=O)[O-]	REAL300013879661	0	63	0.0	-62.37	424.22	10.89	-51.48
CCC(CC)(CNC(=O)N1CCCC(C[N@H+]2CCCCC2C)C1)C(=O)[O-]	REAL300013879661	1	63	0.0	-67.26	434.06	10.89	-56.37
CCC(CC)(CNC(=O)N1CCC2CCC(C1)[N@@H+]2C(C)C)C(=O)[O-]	REAL300013879692	0	57	0.0	-56.72	371.47	8.33	-48.39
CCC(CC)(CNC(=O)N1CCC2CCC(C1)[N@H+]2C(C)C)C(=O)[O-]	REAL300013879692	1	57	0.0	-51.66	388.21	9.50	-42.16
CCC(CC)(CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013879694	0	61	0.0	-67.96	430.96	9.71	-58.25
CCC(CC)(CNC(=O)N1CCC(C[NH+]2CCCC2)C1)C(=O)[O-]	REAL300013879700	0	54	0.0	-70.08	384.00	8.38	-61.70
CCC(CC)(CNC(=O)N1CCC(C[N@H+](C)CC2CC2)C1)C(=O)[O-]	REAL300013879706	0	57	0.0	-70.34	414.90	9.78	-60.56
CCC(CC)(CNC(=O)N1CCC(C[N@@H+](C)CC2CC2)C1)C(=O)[O-]	REAL300013879706	1	57	0.0	-70.93	415.02	9.76	-61.17
CCC(CC)(CNC(=O)NCCC[NH+](C(C)C)C(C)C)C(=O)[O-]	REAL300013879707	0	58	0.0	-60.87	400.93	7.53	-53.34
CCC(CC)(CNC(=O)N1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300013879709	1	57	0.0	-60.63	407.02	8.11	-52.52
CCC(CC)(CNC(=O)N(C)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879712	0	60	0.0	-63.12	434.19	11.30	-51.82
CCC(CC)(CNC(=O)N(C)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879712	1	60	0.0	-54.78	423.08	11.35	-43.43
CCC(CC)(CNC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013879721	0	59	0.0	-64.65	429.39	9.15	-55.50
CCC(CC)(CNC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013879721	1	59	0.0	-65.43	428.28	9.33	-56.10
CCC(CC)(CNC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013879727	0	53	0.0	-60.88	406.15	9.45	-51.43
CCC[N@H+](CC)CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879731	0	52	0.0	-59.99	369.45	6.41	-53.58
CCC[N@@H+](CC)CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879731	1	52	0.0	-60.60	375.54	6.87	-53.73
CC[NH+](CC)CCOC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013879738	0	60	0.0	-64.79	429.45	8.59	-56.20
CCC(CC)(CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013879746	0	63	0.0	-69.43	440.20	11.24	-58.19
CCC(CC)(CNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300013879751	1	60	0.0	-69.40	407.99	7.63	-61.77
CCC(CC)(CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(=O)[O-]	REAL300013879760	0	63	0.0	-64.90	436.65	9.49	-55.41
CCC(CC)(CNC(=O)NCC(C)(O)C[NH+](C)C)C(=O)[O-]	REAL300013879763	0	50	0.0	-65.81	361.94	3.30	-62.51
CCC(CC)(CNC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879774	0	63	0.0	-67.84	465.80	10.40	-57.44
CCC(CC)(CNC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013879774	1	63	0.0	-69.00	458.19	10.06	-58.94
CCC(CC)(CNC(=O)NC(C[N@H+](C)CC1=CC=CC=C1)C(C)C)C(=O)[O-]	REAL300013879824	0	62	0.0	-63.99	450.59	10.27	-53.72
CCC(CC)(CNC(=O)NC(C[N@@H+](C)CC1=CC=CC=C1)C(C)C)C(=O)[O-]	REAL300013879824	1	62	0.0	-65.28	450.77	10.62	-54.66
CCC(CC)(CNC(=O)N1CC[N@@H+](C2CCC2)CC(C)C1)C(=O)[O-]	REAL300013879881	0	57	0.0	-58.04	394.16	9.79	-48.25
CCC(CC)(CNC(=O)N1CC[N@H+](C2CCC2)CC(C)C1)C(=O)[O-]	REAL300013879881	1	57	0.0	-50.25	387.36	10.48	-39.77
CCC(CC)(CNC(=O)N1CCC2(CC[N@H+](C)C2)C1)C(=O)[O-]	REAL300013879891	0	51	0.0	-71.87	365.36	7.62	-64.25
CCC(CC)(CNC(=O)N1CCC2(CC[N@@H+](C)C2)C1)C(=O)[O-]	REAL300013879891	1	51	0.0	-71.51	367.97	7.59	-63.92
CCC(CC)(CNC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013879895	0	57	0.0	-59.58	413.31	9.01	-50.57
CCC(CC)(CNC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013879895	1	57	0.0	-59.18	413.52	9.02	-50.16
CCC(CC)(CNC(=O)NC(C[NH+]1CCCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013879907	0	60	0.0	-63.93	440.44	10.75	-53.18
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300013879914	0	59	0.0	-61.47	430.79	11.45	-50.02
CCC(CC)(CNC(=O)N1CCC(OCC[NH+](C)C)CC1)C(=O)[O-]	REAL300013879915	0	57	0.0	-66.68	411.50	8.04	-58.64
CCC(CC)(CNC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300013879917	0	59	0.0	-64.55	421.97	5.56	-58.99
CCC(CC)(CNC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300013879917	1	59	0.0	-62.90	419.80	5.89	-57.01
CCC(CC)(CNC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300013879917	1	59	0.0	-68.72	410.44	5.41	-63.31
CCC(CC)(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1CO)C(=O)[O-]	REAL300013879931	0	61	0.0	-63.68	439.64	6.98	-56.70
CCC(CC)(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO)C(=O)[O-]	REAL300013879931	1	61	0.0	-65.73	442.27	6.65	-59.08
CCC(CC)(CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300013879936	0	60	0.0	-62.57	415.81	8.89	-53.68
CCC(CC)(CNC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(=O)[O-]	REAL300013879944	0	60	0.0	-65.25	436.96	7.23	-58.02
CCC(CC)(CNC(=O)N1CC[NH+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013879951	0	55	0.0	-64.43	386.51	7.03	-57.40
CCC(CC)(CNC(=O)NCCCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300013879956	0	62	0.0	-66.95	452.25	9.84	-57.11
CCC(CC)(CNC(=O)NC(C)(C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013879972	0	59	0.0	-62.59	417.38	10.37	-52.22
CCC(CC)(CNC(=O)NC(C)(C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013879972	1	59	0.0	-65.58	422.41	10.14	-55.44
CCC(CC)(CNC(=O)N1CCN(C2=CC=[NH+]C=C2Cl)CC1)C(=O)[O-]	REAL300013879980	1	50	0.0	-69.49	383.24	7.30	-62.19
CC[N@H+](CCO)CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879994	0	50	0.0	-63.89	367.52	2.54	-61.35
CC[N@@H+](CCO)CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013879994	1	50	0.0	-59.60	363.15	2.82	-56.78
CCC(CC)(CNC(=O)NC(C)CC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013880022	0	58	0.0	-67.13	420.30	5.49	-61.64
CCC(CC)(CNC(=O)NC(C)CCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013880022	1	58	0.0	-64.06	416.50	5.81	-58.25
CCC(CC)(CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013880024	0	61	0.0	-69.56	427.09	5.41	-64.15
CCC(CC)(CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013880024	1	61	0.0	-68.71	423.28	5.72	-62.99
CCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013880030	0	60	0.0	-56.59	434.74	11.93	-44.66
CCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013880030	1	60	0.0	-56.97	436.38	11.40	-45.57
CCC(CC)(CNC(=O)N(C)C1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300013880031	0	62	0.0	-65.08	433.44	7.48	-57.60
CCC(CC)(CNC(=O)N(C)C1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300013880031	1	62	0.0	-60.98	428.09	7.93	-53.05
CCC(CC)(CNC(=O)N(C)C1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300013880031	1	62	0.0	-69.80	434.48	7.46	-62.34
CCC1=CC=C(C(CNC(=O)NCC(CC)(CC)C(=O)[O-])[NH+](CC)CC)C=C1	REAL300013880082	0	65	0.0	-57.89	466.82	10.43	-47.46
CCC(CC)(CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C(=O)[O-]	REAL300013880083	0	60	0.0	-72.03	427.64	5.18	-66.85
CCC(CC)(CNC(=O)N(C)CC1CCC[N@H+](C)C1)C(=O)[O-]	REAL300013880111	0	53	0.0	-67.39	372.86	8.42	-58.97
CCC(CC)(CNC(=O)N(C)CC1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300013880111	1	53	0.0	-62.80	365.63	8.25	-54.55
CCC(CC)(CNC(=O)N1CCN(C2CCC[N@H+](C)C2)CC1)C(=O)[O-]	REAL300013880115	0	59	0.0	-69.66	404.47	7.01	-62.65
CCC(CC)(CNC(=O)N1CCN(C2CCC[N@@H+](C)C2)CC1)C(=O)[O-]	REAL300013880115	1	59	0.0	-69.24	407.00	7.22	-62.02
CCC(CC)(CNC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)C(=O)[O-]	REAL300013880128	0	60	0.0	-58.40	411.90	10.31	-48.09
CCOCCC[N@@H+]1CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])C(C)C1	REAL300013880130	0	63	0.0	-66.89	449.56	8.50	-58.39
CCOCCC[N@H+]1CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])C(C)C1	REAL300013880130	1	63	0.0	-68.74	449.84	7.81	-60.93
CCC(CC)(CNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013880131	0	60	0.0	-68.49	433.89	4.18	-64.31
CCC(CC)(CNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013880131	1	60	0.0	-67.14	431.74	4.49	-62.65
CCC(CC)(CNC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013880136	0	60	0.0	-65.35	436.05	9.92	-55.43
CCC(CC)(CNC(=O)NCC1([NH+](C)C)CCSC1)C(=O)[O-]	REAL300013880147	0	51	0.0	-54.00	361.71	6.68	-47.32
CCC(CC)(CNC(=O)N1CC[NH+](C2CC3CCC2C3)CC1)C(=O)[O-]	REAL300013880157	0	58	0.0	-58.50	399.33	9.91	-48.59
CC[N@@H+]1CCC(N(C)C(=O)NCC(CC)(CC)C(=O)[O-])CC1C	REAL300013880159	0	56	0.0	-58.09	364.68	8.24	-49.85
CC[N@H+]1CCC(N(C)C(=O)NCC(CC)(CC)C(=O)[O-])CC1C	REAL300013880159	1	56	0.0	-57.75	381.08	8.74	-49.01
CCC(CC)(CNC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013880169	0	53	0.0	-68.99	399.85	8.23	-60.76
CCC(CC)(CNC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013880169	1	53	0.0	-71.79	404.51	8.08	-63.71
CCC(CC)(CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)C(=O)[O-]	REAL300013880170	0	60	0.0	-72.52	434.14	8.67	-63.85
CCC(CC)(CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300013880176	0	57	0.0	-61.21	401.57	8.38	-52.83
CCC(CC)(CNC(=O)N1CCC(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300013880178	0	57	0.0	-72.95	407.73	9.24	-63.71
CCC(CC)(CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C(=O)[O-]	REAL300013880241	0	62	0.0	-69.84	421.39	8.26	-61.58
CCC(CC)(CNC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300013880263	0	60	0.0	-59.55	409.09	8.14	-51.41
CCC(CC)(CNC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300013880263	1	60	0.0	-61.37	406.90	9.66	-51.71
CCC(CC)(CNC(=O)NCC1(C)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013880268	0	60	0.0	-67.71	443.43	9.89	-57.82
CCC(CC)(CNC(=O)NCC1(C)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013880268	1	60	0.0	-66.73	437.81	9.98	-56.75
CCC(CC)(CNC(=O)N(C)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300013880273	0	53	0.0	-59.68	383.62	9.10	-50.58
CCC(CC)(CNC(=O)N1CCC2(C1)CCC[N@H+](C)C2)C(=O)[O-]	REAL300013880282	0	54	0.0	-66.21	380.95	8.42	-57.79
CCC(CC)(CNC(=O)N1CCC2(C1)CCC[N@@H+](C)C2)C(=O)[O-]	REAL300013880282	1	54	0.0	-71.53	376.42	8.68	-62.85
CCC(CC)(CNC(=O)N1CC[NH+](CC2=CC=C(C(C)C)C=C2)CC1)C(=O)[O-]	REAL300013880288	1	63	0.0	-65.23	456.03	11.92	-53.31
CCC(CC)(CNC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300013880291	0	56	0.0	-65.69	407.20	8.11	-57.58
CCC(CC)(CNC(=O)NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013880308	0	58	0.0	-68.44	427.74	6.22	-62.22
CCC(CC)(CNC(=O)NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013880308	1	58	0.0	-69.02	427.88	6.19	-62.83
CCC(CC)(CNC(=O)N(C)C1CC2CCC(C1)[NH+]2CCOC)C(=O)[O-]	REAL300013880315	0	61	0.0	-59.96	400.80	6.61	-53.35
CCC(CC)(CNC(=O)NC(CC[NH+](C)C)C(C)(C)C)C(=O)[O-]	REAL300013880331	0	58	0.0	-60.20	402.99	7.85	-52.35
CCC(CC)(CNC(=O)N1CCN(CC2C[N@@H+](C(C)C)CCO2)CC1)C(=O)[O-]	REAL300013880361	0	66	0.0	-70.50	452.48	7.14	-63.36
CCC(CC)(CNC(=O)N1CCN(CC2C[N@H+](C(C)C)CCO2)CC1)C(=O)[O-]	REAL300013880361	1	66	0.0	-69.88	460.65	7.34	-62.54
CC[N@H+](C)CC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013880364	0	53	0.0	-69.77	381.62	8.21	-61.56
CC[N@@H+](C)CC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013880364	1	53	0.0	-67.77	380.47	8.53	-59.24
CCC(CC)(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013880367	0	60	0.0	-68.31	439.04	9.98	-58.33
CCC(CC)(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013880367	1	60	0.0	-64.82	436.08	10.46	-54.36
CCC(CC)(CNC(=O)NC1CCCC([NH+](C)C)C1)C(=O)[O-]	REAL300013880370	0	53	0.0	-67.02	369.84	7.43	-59.59
CCC(CC)(CNC(=O)N(CC1=CC=CC=C1)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013880371	0	60	0.0	-65.48	421.09	11.76	-53.72
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300013880375	0	61	0.0	-55.68	438.25	7.44	-48.24
CCC(CC)(CNC(=O)N1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013880390	0	55	0.0	-66.08	391.85	7.15	-58.93
CCC(CC)(CNC(=O)NC1CCN(C2=CC(C)=[NH+]C(C)=N2)CC1)C(=O)[O-]	REAL300013880392	1	58	0.0	-61.04	428.57	7.09	-53.95
CCC(CC)(CNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(=O)[O-]	REAL300013880422	0	65	0.0	-65.60	438.84	8.18	-57.42
CCC(CC)(CNC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(=O)[O-]	REAL300013880422	1	65	0.0	-62.70	443.34	8.02	-54.68
CCC(CC)(CNC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013880445	0	56	0.0	-65.25	424.53	5.39	-59.86
CCC(CC)(CNC(=O)NCC(C1CC1)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013880458	0	60	0.0	-63.81	433.84	11.04	-52.77
CCC(CC)(CNC(=O)NCC(C1CC1)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013880458	1	60	0.0	-61.35	437.78	10.57	-50.78
CCC(CC)(CNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300013880519	0	63	0.0	-65.01	432.03	8.81	-56.20
CCC(CC)(CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300013880520	0	58	0.0	-65.73	406.84	4.90	-60.83
CCC(CC)(CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300013880520	1	58	0.0	-63.67	404.34	4.72	-58.95
CCC(CC)(CNC(=O)NCC(C1=CC=C(SC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013880535	0	57	0.0	-62.57	428.09	9.22	-53.35
CCC(CC)(CNC(=O)N1CC[N@@H+](C2CC2)CC(C)C1)C(=O)[O-]	REAL300013880538	0	54	0.0	-59.24	376.74	8.93	-50.31
CCC(CC)(CNC(=O)N1CC[N@H+](C2CC2)CC(C)C1)C(=O)[O-]	REAL300013880538	1	54	0.0	-54.48	383.54	9.65	-44.83
CCC(CC)(CNC(=O)NC(C)C[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013880570	1	61	0.0	-64.53	443.61	8.02	-56.51
CCC(CC)(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013880598	0	60	0.0	-63.01	433.10	9.90	-53.11
CCC(CC)(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013880598	1	60	0.0	-61.30	433.78	10.09	-51.21
CCC(CC)(CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013880611	0	60	0.0	-65.43	417.85	9.05	-56.38
CCC(CC)(CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(=O)[O-]	REAL300013880612	0	66	0.0	-72.55	475.15	6.90	-65.65
CCC(CC)(CNC(=O)NCC1CC[NH+](CCC(C)C)CC1)C(=O)[O-]	REAL300013880615	0	62	0.0	-69.03	442.23	9.05	-59.98
CCC(CC)(CNC(=O)NCC[NH+]1CCC(OC)CC1)C(=O)[O-]	REAL300013880616	0	54	0.0	-63.74	393.13	5.65	-58.09
CCC(CC)(CNC(=O)N1CC(C)C([NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013880618	1	55	0.0	-64.24	386.83	6.70	-57.54
CCC(CC)(CNC(=O)N1CCC([NH+]2CCN(C)CC2)C(C)C1)C(=O)[O-]	REAL300013880634	0	62	0.0	-61.05	419.82	7.94	-53.11
CCC(CC)(CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(=O)[O-]	REAL300013880638	0	60	0.0	-64.25	423.94	9.33	-54.92
CC[N@@H+]1CC(C)N(C(=O)NCC(CC)(CC)C(=O)[O-])CC1C	REAL300013880644	0	53	0.0	-62.85	365.69	8.46	-54.39
CC[N@H+]1CC(C)N(C(=O)NCC(CC)(CC)C(=O)[O-])CC1C	REAL300013880644	1	53	0.0	-58.62	368.34	8.11	-50.51
CCC(CC)(CNC(=O)N1CC(C)[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013880655	0	60	0.0	-64.52	420.33	11.65	-52.87
CCC(CC)(CNC(=O)N1CC(C)[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013880655	1	60	0.0	-63.71	427.15	11.02	-52.69
CCCC1CN(C(=O)NCC(CC)(CC)C(=O)[O-])CC[N@@H+]1CCOC	REAL300013880658	0	60	0.0	-60.73	425.70	8.08	-52.65
CCCC1CN(C(=O)NCC(CC)(CC)C(=O)[O-])CC[N@H+]1CCOC	REAL300013880658	1	60	0.0	-56.70	416.37	8.45	-48.25
CCC(CC)(CNC(=O)N1CCC(CCC[N@H+](C)CCOC)CC1)C(=O)[O-]	REAL300013880659	0	66	0.0	-70.59	465.11	10.04	-60.55
CCC(CC)(CNC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1)C(=O)[O-]	REAL300013880659	1	66	0.0	-68.99	469.26	9.76	-59.23
CCC(CC)(CNC(=O)N1CCC(CCC[NH+](C)C)CC1)C(=O)[O-]	REAL300013880660	0	59	0.0	-69.23	418.94	9.90	-59.33
CCC(CC)(CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013880713	0	58	0.0	-65.67	404.31	8.16	-57.51
CCC(CC)(CNC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)C(=O)[O-]	REAL300013880724	0	59	0.0	-62.05	411.48	8.66	-53.39
CCC(CC)(CNC(=O)NCC1CCC[N@@H+]1CCCO)C(=O)[O-]	REAL300013880725	0	54	0.0	-63.36	392.48	3.27	-60.09
CCC(CC)(CNC(=O)NCC1CCC[N@H+]1CCCO)C(=O)[O-]	REAL300013880725	1	54	0.0	-59.90	393.48	4.38	-55.52
CCC(CC)(CNC(=O)NC1CCC[N@H+](CCCO)C1)C(=O)[O-]	REAL300013880730	0	54	0.0	-63.66	386.42	4.44	-59.22
CCC(CC)(CNC(=O)NC1CCC[N@@H+](CCCO)C1)C(=O)[O-]	REAL300013880730	1	54	0.0	-68.21	391.12	4.27	-63.94
CCC(CC)(CNC(=O)NCC1C[N@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300013880759	0	57	0.0	-66.82	413.66	6.36	-60.46
CCC(CC)(CNC(=O)NCC1C[N@@H+](CC(C)C)CCO1)C(=O)[O-]	REAL300013880759	1	57	0.0	-68.89	414.12	6.18	-62.71
CCC(CC)(CNC(=O)N1CC[NH+](CC2=CC=CC3=CC=CC=C32)CC1)C(=O)[O-]	REAL300013880771	0	60	0.0	-68.42	437.94	12.19	-56.23
CCC(CC)(CNC(=O)N1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013880776	1	54	0.0	-66.81	390.18	9.55	-57.26
CCC(CC)(CNC(=O)N1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013880776	1	54	0.0	-63.63	379.64	9.49	-54.14
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013880784	0	56	0.0	-63.32	414.14	10.61	-52.71
CCC(CC)(CNC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013880786	0	53	0.0	-71.94	401.82	8.05	-63.89
CCC(CC)(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300013880806	0	58	0.0	-57.46	408.59	8.20	-49.26
CCC(CC)(CNC(=O)N1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013880828	0	50	0.0	-66.12	363.24	6.49	-59.63
CCC(CC)(CNC(=O)NCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300013880833	0	53	0.0	-63.30	379.42	7.22	-56.08
CCC(CC)(CNC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013880836	0	56	0.0	-64.03	400.26	7.83	-56.20
CCC(CC)(CNC(=O)NCCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013880840	0	56	0.0	-69.66	419.56	8.80	-60.86
CCC(CC)(CNC(=O)NCCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013880840	1	56	0.0	-66.87	414.90	8.96	-57.91
CC[NH+](CC)CC1=CC=C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300013880853	0	59	0.0	-69.43	431.65	9.07	-60.36
CCC(CC)(CNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013880854	0	57	0.0	-73.53	437.53	9.72	-63.81
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013880860	0	59	0.0	-52.46	426.69	9.33	-43.13
CCC(CC)(CNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013880861	0	60	0.0	-70.52	443.03	9.85	-60.67
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300013880897	0	57	0.0	-53.05	420.78	9.41	-43.64
CC[NH+](CC)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300013880945	0	63	0.0	-56.02	441.44	8.56	-47.46
CCC(CC)(CNC(=O)N1CC[NH+](CCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013880949	1	57	0.0	-67.09	418.37	10.85	-56.24
CCC(CC)(CNC(=O)N1CCC[N@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013880954	0	57	0.0	-54.62	405.39	11.40	-43.22
CCC(CC)(CNC(=O)N1CCC[N@@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013880954	1	57	0.0	-63.55	405.14	11.43	-52.12
CCC(CC)(CNC(=O)N1CCC[N@H+](CC2=CC=C(C#N)C=C2)CC1)C(=O)[O-]	REAL300013880955	0	58	0.0	-77.50	427.81	11.91	-65.59
CCC(CC)(CNC(=O)N1CCC[N@@H+](CC2=CC=C(C#N)C=C2)CC1)C(=O)[O-]	REAL300013880955	1	58	0.0	-75.30	426.00	11.82	-63.48
CCC(CC)(CNC(=O)N1CCC[N@H+](CC2=CC=C(C)C=C2)CC1)C(=O)[O-]	REAL300013880956	0	60	0.0	-57.95	426.65	12.09	-45.86
CCC(CC)(CNC(=O)N1CCC[N@@H+](CC2=CC=C(C)C=C2)CC1)C(=O)[O-]	REAL300013880956	1	60	0.0	-57.57	428.04	12.25	-45.32
CCC(CC)(CNC(=O)N1CC[NH+](CCOC)CC1)C(=O)[O-]	REAL300013880962	1	51	0.0	-63.03	369.59	6.25	-56.78
CCC(CC)(CNC(=O)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013880970	1	57	0.0	-65.13	416.33	11.30	-53.83
CCC(CC)(CNC(=O)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013880970	1	57	0.0	-61.26	413.06	11.65	-49.61
CCC(CC)(CNC(=O)N1CCC[N@H+](CC2=CC=C(OC)C=C2)CC1)C(=O)[O-]	REAL300013880971	0	61	0.0	-61.37	434.72	10.69	-50.68
CCC(CC)(CNC(=O)N1CCC[N@@H+](CC2=CC=C(OC)C=C2)CC1)C(=O)[O-]	REAL300013880971	1	61	0.0	-58.71	436.15	10.88	-47.83
CCC(CC)(CNC(=O)N1CCC[N@H+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013880972	1	57	0.0	-68.10	422.46	12.02	-56.08
CCC(CC)(CNC(=O)N1CCC[N@@H+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013880972	1	57	0.0	-63.34	426.59	11.79	-51.55
CCC(CC)(CNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300013880985	1	54	0.0	-59.71	405.97	4.65	-55.06
CCC(CC)(CNC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013880987	1	60	0.0	-58.60	414.20	6.46	-52.14
CCC(CC)(CNC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300013881010	0	51	0.0	-61.86	371.19	7.43	-54.43
CCC(CC)(CNC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013881014	0	58	0.0	-69.27	428.60	6.78	-62.49
CCC(CC)(CNC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013881023	0	57	0.0	-66.95	415.07	6.46	-60.49
CCC(CC)(CNC(=O)NC1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300013881027	0	56	0.0	-64.32	401.17	7.77	-56.55
CCC(CC)(CNC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300013881032	1	57	0.0	-54.83	393.81	6.63	-48.20
CCC(CC)(CNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300013881033	1	56	0.0	-59.56	412.31	7.45	-52.11
CCC(CC)(CNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300013881035	1	53	0.0	-61.99	399.88	6.20	-55.79
CCC(CC)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])[NH+]1CCOCC1	REAL300013881039	0	63	0.0	-57.40	421.96	7.28	-50.12
CCC(CC)(CNC(=O)NCC(C(C)C)[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013881041	0	61	0.0	-58.50	421.43	6.29	-52.21
CCC(CC)(CNC(=O)NCC(C(C)C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013881041	1	61	0.0	-68.14	416.22	5.67	-62.47
CC[NH+](CC)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])CC(C)C	REAL300013881042	0	61	0.0	-51.43	409.42	8.34	-43.09
CCC(CC)(CNC(=O)N(CC1=CC=CO1)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013881046	0	57	0.0	-69.00	413.94	9.81	-59.19
CCC(CC)(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013881051	0	57	0.0	-60.67	420.08	9.23	-51.44
CCC(CC)(CNC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300013881063	1	60	0.0	-69.87	442.73	7.77	-62.10
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC(C)C)C(=O)[O-]	REAL300013881076	0	55	0.0	-62.68	397.04	9.10	-53.58
CCC(CC)(CNC(=O)N1CCC([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013881078	0	57	0.0	-65.02	391.65	9.21	-55.81
CCC(CC)(CNC(=O)N1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300013881085	0	54	0.0	-59.12	375.91	9.10	-50.02
CCC(CC)(CNC(=O)N1CCC([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013881087	0	54	0.0	-66.60	371.47	8.78	-57.82
CCC(CC)(CNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013881098	1	54	0.0	-62.75	395.78	9.99	-52.76
CCC(CC)(CNC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300013881111	1	51	0.0	-68.77	375.85	4.67	-64.10
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013881128	1	63	0.0	-67.67	443.56	10.02	-57.65
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013881128	1	63	0.0	-61.10	445.79	10.16	-50.94
CCC(CC)(CNC(=O)N1CCC[N@H+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300013881129	0	60	0.0	-57.62	426.53	11.84	-45.78
CCC(CC)(CNC(=O)N1CCC[N@@H+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300013881129	1	60	0.0	-62.91	421.60	12.06	-50.85
CCC(CC)(CNC(=O)NC1CC[NH+](CCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013881136	0	60	0.0	-68.85	440.54	10.43	-58.42
CCC(CC)(CNC(=O)NC1CCN(CC[NH+](C)C)CC1)C(=O)[O-]	REAL300013881137	0	58	0.0	-69.18	411.98	5.37	-63.81
CCC(CC)(CNC(=O)NC1CC[NH+](CCN(C)C)CC1)C(=O)[O-]	REAL300013881137	1	58	0.0	-66.40	417.23	5.10	-61.30
CCC(CC)(CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013881138	0	56	0.0	-63.85	412.00	7.59	-56.26
CCC(CC)(CNC(=O)NC1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300013881139	0	60	0.0	-66.22	432.44	10.06	-56.16
CCC(CC)(CNC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300013881141	0	63	0.0	-69.55	461.57	10.85	-58.70
CCC(CC)(CNC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300013881142	0	63	0.0	-68.13	460.00	10.38	-57.75
CCC(CC)(CNC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300013881142	1	63	0.0	-67.44	460.01	10.39	-57.05
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300013881143	0	63	0.0	-50.19	450.28	11.20	-38.99
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300013881143	1	63	0.0	-48.64	442.27	10.49	-38.15
CCC(CC)(CNC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300013881144	0	63	0.0	-70.49	464.18	10.51	-59.98
CCC(CC)(CNC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300013881144	1	63	0.0	-68.83	461.57	10.84	-57.99
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013881145	0	63	0.0	-58.45	453.01	11.75	-46.70
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013881145	1	63	0.0	-61.80	457.86	10.74	-51.06
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300013881146	0	59	0.0	-59.64	425.91	9.96	-49.68
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300013881146	1	59	0.0	-51.43	425.16	9.61	-41.82
CCC(CC)(CNC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013881147	0	57	0.0	-70.11	431.64	7.83	-62.28
CCC(CC)(CNC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013881148	0	57	0.0	-68.89	431.65	7.81	-61.08
CCC(CC)(CNC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300013881153	1	59	0.0	-57.87	435.73	7.69	-50.18
CCC(CC)(CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300013881154	1	53	0.0	-56.82	395.85	6.20	-50.62
CCC(CC)(CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300013881155	1	54	0.0	-63.30	406.01	4.67	-58.63
CCC(CC)(CNC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013881158	0	57	0.0	-66.66	421.14	9.26	-57.40
CC[NH+](CC)CCCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013881179	0	52	0.0	-62.80	369.45	6.45	-56.35
CCN(CC)C1=CC=C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C=[NH+]1	REAL300013881194	1	55	0.0	-54.34	414.24	8.53	-45.81
CCC(CC)(CNC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300013881195	0	58	0.0	-70.90	433.35	6.62	-64.28
CCC(CC)(CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013881196	1	59	0.0	-57.09	426.29	7.44	-49.65
CCC(CC)(CNC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300013881197	1	57	0.0	-59.77	426.91	5.18	-54.59
CCC(CC)(CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013881198	1	56	0.0	-57.18	414.64	6.92	-50.26
CCC(CC)(CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300013881224	1	54	0.0	-62.16	404.84	5.23	-56.93
CCC(CC)(CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300013881225	0	57	0.0	-68.57	425.66	9.57	-59.00
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300013881226	0	59	0.0	-67.18	433.51	9.70	-57.48
CCC(CC)(CNC(=O)N(CCC1=CC=CC=C1)CC[NH+](C)C)C(=O)[O-]	REAL300013881238	0	59	0.0	-64.38	438.26	11.47	-52.91
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300013881239	0	57	0.0	-68.87	435.90	11.39	-57.48
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300013881273	0	63	0.0	-68.17	463.03	8.90	-59.27
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013881274	0	63	0.0	-57.13	465.83	9.21	-47.92
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C=N2)CC1	REAL300013881276	0	61	0.0	-70.54	451.04	7.28	-63.26
CCC(CC)(CNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013881286	0	57	0.0	-59.16	428.34	10.58	-48.58
CCC(CC)(CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013881287	1	54	0.0	-81.74	401.19	5.27	-76.47
CC[NH+](CC)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1=CSC=C1	REAL300013881290	0	56	0.0	-51.16	403.95	9.22	-41.94
CCC(CC)(CNC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013881291	0	62	0.0	-61.70	427.84	9.46	-52.24
CC[NH+](CC)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])CC1=CC=CC=C1	REAL300013881293	0	62	0.0	-56.06	435.33	9.77	-46.29
CC[NH+](CC)C(C)CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013881294	0	52	0.0	-60.08	363.47	6.99	-53.09
CCC(CC)(CNC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013881295	0	54	0.0	-66.98	401.28	8.44	-58.54
CCC(CC)(CNC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013881295	1	54	0.0	-66.95	401.28	8.43	-58.52
CCC(CC)(CNC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300013881297	0	49	0.0	-57.07	368.61	6.48	-50.59
CCC(CC)(CNC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013881298	1	49	0.0	-57.42	372.91	6.32	-51.10
CCC(CNC(=O)NCC(CC)(CC)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013881299	0	60	0.0	-57.84	423.40	10.55	-47.29
CCC(CNC(=O)NCC(CC)(CC)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013881299	1	60	0.0	-56.97	422.32	10.60	-46.37
CCC(CC)(CNC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300013881300	0	59	0.0	-61.48	402.01	9.12	-52.36
CCC(CC)(CNC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300013881302	0	50	0.0	-65.15	383.07	7.35	-57.80
CCC(CC)(CNC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013881303	0	56	0.0	-57.41	384.54	8.03	-49.38
CCC(CC)(CNC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013881303	1	56	0.0	-60.28	395.97	7.83	-52.45
CCC(CC)(CNC(=O)NCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013881304	0	53	0.0	-63.30	383.48	6.87	-56.43
CCC(CC)(CNC(=O)NCCC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300013881305	0	59	0.0	-64.19	414.28	8.41	-55.78
CCC(CC)(CNC(=O)NCCC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300013881305	1	59	0.0	-66.24	419.00	8.26	-57.98
CCC(CC)(CNC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013881307	0	59	0.0	-63.65	421.54	8.43	-55.22
CCC(CC)(CNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013881308	0	57	0.0	-69.09	420.61	9.54	-59.55
CCC(CC)(CNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013881308	1	57	0.0	-69.06	420.60	9.55	-59.51
CCC(CC)(CNC(=O)NC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300013881311	0	53	0.0	-55.95	376.79	7.61	-48.34
CCC(CC)(CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013881312	0	57	0.0	-57.75	419.03	10.55	-47.20
CCC(CC)(CNC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013881315	0	53	0.0	-66.13	392.59	8.04	-58.09
CCC(CC)(CNC(=O)NCC[NH+](C(C)C)C(C)C)C(=O)[O-]	REAL300013881316	0	55	0.0	-56.72	375.57	6.52	-50.20
CCC(CC)(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013881340	0	62	0.0	-71.10	453.38	8.01	-63.09
CCC(CC)(CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013881341	0	58	0.0	-71.63	404.55	8.28	-63.35
CCC(CC)(CNC(=O)N1CCC(C[NH+](C)C)CC1)C(=O)[O-]	REAL300013881342	0	53	0.0	-67.93	375.66	8.55	-59.38
CCC(CC)(CNC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300013881393	0	56	0.0	-57.89	376.80	7.91	-49.98
CCC(CC)(CNC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013881394	0	59	0.0	-66.19	423.82	8.78	-57.41
CCC(CC)(CNC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300013881395	0	59	0.0	-63.74	411.30	8.19	-55.55
CCC(CC)(CNC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300013881395	1	59	0.0	-63.13	418.05	8.50	-54.63
CCC(CC)(CNC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013881396	0	59	0.0	-65.63	424.28	8.78	-56.85
CCC(CC)(CNC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013881396	1	59	0.0	-65.65	424.26	8.78	-56.87
CCN1CC[NH+](CCCCNC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013881397	0	61	0.0	-68.32	440.68	6.09	-62.23
CC[NH+]1CCN(CCCCNC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013881397	1	61	0.0	-68.64	440.18	6.06	-62.58
CCC(CC)(CNC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013881399	0	62	0.0	-65.45	443.04	9.20	-56.25
CCC(CC)(CNC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013881415	1	62	0.0	-59.31	438.00	8.10	-51.21
CCC(CC)(CNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013881416	1	59	0.0	-67.90	433.60	7.43	-60.47
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013881418	1	60	0.0	-69.41	440.66	6.01	-63.40
CCC(CC)(CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C(=O)[O-]	REAL300013881419	1	61	0.0	-78.02	429.98	8.62	-69.40
C=CC[NH+](CC=C)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C(C)C	REAL300013881433	0	60	0.0	-51.93	419.95	9.53	-42.40
CCC(CC)(CNC(=O)NCC(C1=CC=C(OC)C=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013881435	0	61	0.0	-63.81	447.99	8.44	-55.37
CCC(CC)(CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300013881436	0	63	0.0	-58.56	414.99	9.99	-48.57
CCC(CC)(CNC(=O)NCC(C1=CC=C(OC)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013881437	0	57	0.0	-68.81	422.09	7.34	-61.47
CCC(CC)(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300013881455	0	57	0.0	-57.98	413.53	8.10	-49.88
CCC(CC)(CNC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300013881456	1	50	0.0	-63.21	373.49	6.93	-56.28
CCC(CC)(CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013881460	0	61	0.0	-56.33	413.29	6.56	-49.77
CCC(CC)(CNC(=O)NCC(C1=CC=C(OC)C(OC)=C1)[NH+](C)C)C(=O)[O-]	REAL300013881468	0	61	0.0	-68.53	448.17	8.15	-60.38
CCC(CC)(CNC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300013881470	0	50	0.0	-56.56	375.68	7.16	-49.40
CCC(CC)(CNC(=O)NCC1([NH+](C)C)CCCC1)C(=O)[O-]	REAL300013881471	0	53	0.0	-60.93	365.13	7.16	-53.77
CCC(CC)(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300013881506	0	54	0.0	-53.97	392.01	7.62	-46.35
CCC(CC)(CNC(=O)NC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300013881507	0	53	0.0	-62.98	378.89	6.87	-56.11
CCC(CC)(CNC(=O)NCC(C)(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300013881515	0	56	0.0	-52.95	382.55	7.60	-45.35
CCC(CC)(CNC(=O)NCC(C1=CC=CC=C1OC)[NH+]1CCCC1)C(=O)[O-]	REAL300013881522	0	61	0.0	-53.95	441.69	9.22	-44.73
CCC(CC)(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013881523	0	60	0.0	-57.65	447.46	9.63	-48.02
CC[NH+](CC)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=CC=C1Cl	REAL300013881525	0	59	0.0	-63.41	426.43	9.56	-53.85
CCC(CC)(CNC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013881526	0	56	0.0	-57.40	405.40	9.42	-47.98
CCC(CC)(CNC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300013881529	0	53	0.0	-65.62	394.78	8.29	-57.33
CCC1=CC=C(C(CNC(=O)NCC(CC)(CC)C(=O)[O-])[NH+](C)C)C=C1	REAL300013881530	0	59	0.0	-66.41	435.49	9.48	-56.93
CCC(CC)(CNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013881533	0	62	0.0	-69.99	456.60	7.44	-62.55
CCC(CC)(CNC(=O)NCC(C1=CC=CS1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013881534	1	59	0.0	-66.15	438.76	6.50	-59.65
CC[NH+](CC)C(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=CC=C1	REAL300013881535	0	59	0.0	-57.71	418.77	9.14	-48.57
CCC(CC)(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300013881536	0	54	0.0	-55.90	397.55	8.02	-47.88
CCC(CC)(CNC(=O)N1CC[NH+](CC(C)C)CC1)C(=O)[O-]	REAL300013881559	0	53	0.0	-60.07	375.91	8.50	-51.57
CCC(CC)(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013881563	0	54	0.0	-65.06	400.64	8.42	-56.64
CCC(CC)(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013881563	1	54	0.0	-64.29	398.46	8.67	-55.62
CCC(CC)(CNC(=O)N1CC[NH+](CC2CCCO2)CC1)C(=O)[O-]	REAL300013881567	1	55	0.0	-59.66	393.04	7.49	-52.17
CCC(CC)(CNC(=O)NCC(C1=CC=CC(OC)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013881573	0	61	0.0	-55.61	438.99	8.11	-47.50
CCC(CC)(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300013881574	0	57	0.0	-53.60	428.23	9.96	-43.64
CCC(CC)(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300013881575	1	53	0.0	-56.83	401.16	8.76	-48.07
CCC(CC)(CNC(=O)N1CC[NH+](CC2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300013881577	1	57	0.0	-57.94	412.52	10.82	-47.12
CCC(CC)(CNC(=O)N1CC[NH+](CC2=CC=CC=C2C)CC1)C(=O)[O-]	REAL300013881585	1	57	0.0	-64.07	411.91	10.65	-53.42
CCC(CC)(CNC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300013881604	0	53	0.0	-64.89	397.11	8.20	-56.69
CCC(CC)(CNC(=O)NC1CC[N@@H+]2CCCC2C1)C(=O)[O-]	REAL300013881617	0	51	0.0	-62.26	367.67	6.83	-55.43
CCC(CC)(CNC(=O)NC1CC[N@H+]2CCCC2C1)C(=O)[O-]	REAL300013881617	1	51	0.0	-63.30	365.87	6.72	-56.58
CCC(CC)(CNC(=O)NCC1CC[N@@H+](C2CC2)C1)C(=O)[O-]	REAL300013881627	0	51	0.0	-62.13	372.68	7.09	-55.04
CCC(CC)(CNC(=O)NCC1CC[N@H+](C2CC2)C1)C(=O)[O-]	REAL300013881627	1	51	0.0	-64.59	377.89	6.90	-57.69
CCC(CC)(CNC(=O)NCC1([NH+](C)C)CCCCCC1)C(=O)[O-]	REAL300013881646	0	59	0.0	-62.58	389.69	7.97	-54.61
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013881658	0	59	0.0	-59.31	435.43	10.92	-48.39
CCC(CC)(CNC(=O)NCCC[N@H+](C)CCOC)C(=O)[O-]	REAL300013881668	0	53	0.0	-64.18	390.62	5.39	-58.79
CCC(CC)(CNC(=O)NCCC[N@@H+](C)CCOC)C(=O)[O-]	REAL300013881668	1	53	0.0	-66.70	393.26	5.05	-61.65
CC[NH+](CC)CCN(CC(C)C)C(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013881678	0	61	0.0	-66.75	425.25	10.44	-56.31
CCC(CC)(CNC(=O)NC(CC(C)C)C[NH+](C)C)C(=O)[O-]	REAL300013881681	0	55	0.0	-62.57	396.18	8.02	-54.55
CCC(CC)(CNC(=O)NC1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300013881698	0	53	0.0	-69.67	378.98	6.84	-62.83
CCC(CC)(CNC(=O)N1CC[NH+](C(C)(C)COC)CC1)C(=O)[O-]	REAL300013881714	0	57	0.0	-62.28	397.83	6.98	-55.30
CCC(CC)(CNC(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1)C(=O)[O-]	REAL300013881736	0	58	0.0	-66.66	421.09	11.01	-55.65
CCC(CC)(CNC(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1)C(=O)[O-]	REAL300013881736	1	58	0.0	-65.89	416.25	10.22	-55.67
CCC(CC)(CNC(=O)N1CC(C)[N@H+](CC2=CC=CC=C2)C(C)C1C)C(=O)[O-]	REAL300013881748	0	63	0.0	-60.08	421.53	10.78	-49.30
CCC(CC)(CNC(=O)N1CC(C)[N@@H+](CC2=CC=CC=C2)C(C)C1C)C(=O)[O-]	REAL300013881748	1	63	0.0	-55.87	429.19	11.62	-44.25
CCC(CC)(CNC(=O)NCC(C)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013881757	0	57	0.0	-58.80	405.35	6.65	-52.15
CCC(CC)(CNC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013881757	1	57	0.0	-60.13	400.12	6.17	-53.96
CCC(CC)(CNC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013881757	1	57	0.0	-60.13	400.12	6.17	-53.96
CCC(C)(C)[NH+]1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013881767	0	56	0.0	-59.02	380.49	8.26	-50.76
CCC(CC)(CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(=O)[O-]	REAL300013881775	0	49	0.0	-63.91	351.11	3.62	-60.29
CCC(CC)(CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(=O)[O-]	REAL300013881775	1	49	0.0	-63.91	351.11	3.62	-60.29
CCC(CC)(CNC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300013881777	0	55	0.0	-64.01	394.90	7.50	-56.51
CCC(CC)(CNC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300013881777	1	55	0.0	-64.01	394.90	7.50	-56.51
CC[N@H+](CCCNC(=O)NCC(CC)(CC)C(=O)[O-])C1CCCCC1	REAL300013881802	0	62	0.0	-65.33	432.67	8.63	-56.70
CC[N@@H+](CCCNC(=O)NCC(CC)(CC)C(=O)[O-])C1CCCCC1	REAL300013881802	1	62	0.0	-65.33	432.67	8.63	-56.70
CCCCC[N@H+](CCNC(=O)NCC(CC)(CC)C(=O)[O-])CC1=CC=CC=C1	REAL300013881804	0	65	0.0	-66.46	469.14	10.39	-56.07
CCCCC[N@@H+](CCNC(=O)NCC(CC)(CC)C(=O)[O-])CC1=CC=CC=C1	REAL300013881804	1	65	0.0	-66.46	469.14	10.39	-56.07
CCC(CC)(CNC(=O)N1CCN(C)CC1CC1=CC=CC=C1)C(=O)[O-]	REAL300013881805	0	57	0.0	-62.90	407.50	10.71	-52.19
CCC(CC)(CNC(=O)N1CC[N@H+](C)CC1CC1=CC=CC=C1)C(=O)[O-]	REAL300013881805	1	57	0.0	-74.08	413.23	11.19	-62.89
CCC(CC)(CNC(=O)N1CC[N@@H+](C)CC1CC1=CC=CC=C1)C(=O)[O-]	REAL300013881805	1	57	0.0	-74.08	413.23	11.19	-62.89
CCC(CC)(CNC(=O)NC1CCC[N@@H+]2CCCCC12)C(=O)[O-]	REAL300013881829	0	54	0.0	-59.40	374.45	8.28	-51.12
CCC(CC)(CNC(=O)NC1CCC[N@H+]2CCCCC12)C(=O)[O-]	REAL300013881829	1	54	0.0	-59.40	374.45	8.28	-51.12
CCC(CC)(CNC(=O)N(C)CC[NH+]1CCCCC1)C(=O)[O-]	REAL300013881832	0	53	0.0	-58.59	379.98	8.66	-49.93
CCC(CC)(CNC(=O)N1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013881844	0	54	0.0	-62.75	395.78	9.99	-52.76
CCC(CC)(CNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013881844	1	54	0.0	-62.75	395.78	9.99	-52.76
CCC(CC)(CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C(=O)[O-]	REAL300013881900	0	56	0.0	-58.46	406.92	7.67	-50.79
CCC(CC)(CNC(=O)N1CCC([N@H+](C)CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013881906	0	60	0.0	-69.34	438.14	11.32	-58.02
CCC(CC)(CNC(=O)N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013881906	1	60	0.0	-69.34	438.14	11.32	-58.02
CCC(CC)(CNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013881909	0	59	0.0	-75.90	435.64	8.12	-67.78
CCC(CC)(CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013881931	0	61	0.0	-68.82	427.63	6.77	-62.05
CCC(CC)(CNC(=O)NC1CC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300013881946	0	53	0.0	-60.75	375.68	6.45	-54.30
CCC(CC)(CNC(=O)NC1CC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300013881946	1	53	0.0	-60.75	375.68	6.45	-54.30
CCC(CC)(CNC(=O)NCC1=CC=CN=C1N1CCCC1)C(=O)[O-]	REAL300013881958	0	53	0.0	-59.66	383.39	7.40	-52.26
CCC(CC)(CNC(=O)NCC1=CC=C[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300013881958	1	53	0.0	-59.66	383.39	7.40	-52.26
CCC(CC)(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C[C@@H]1C(C)C)C(=O)[O-]	REAL300013881987	0	63	0.0	-68.92	448.83	12.37	-56.55
CCC(CC)(CNC(=O)NC(C)C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013881990	0	56	0.0	-63.61	402.70	8.18	-55.43
CCC(CC)(CNC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300013882070	0	57	0.0	-63.40	405.49	8.07	-55.33
CCC(CC)(CNC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300013882070	1	57	0.0	-60.97	399.99	8.13	-52.84
CCC(CC)(CNC(=O)NCC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013882099	0	57	0.0	-66.00	408.95	8.74	-57.26
CCC(CC)(CNC(=O)NCC1C[N@H+](C)CCN1CC1=CC=CC=C1)C(=O)[O-]	REAL300013882104	1	62	0.0	-72.64	453.18	7.84	-64.80
CCC(CC)(CNC(=O)NCC1C[N@@H+](C)CCN1CC1=CC=CC=C1)C(=O)[O-]	REAL300013882104	1	62	0.0	-66.94	446.13	7.61	-59.33
CCC(CC)(CNC(=O)N1CCOC(CCC[NH+](C)C)C1)C(=O)[O-]	REAL300013882108	0	57	0.0	-66.58	408.86	8.10	-58.48
CCC(CC)(CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)[O-]	REAL300013882121	1	59	0.0	-67.53	414.27	6.62	-60.91
CCC(CC)(CNC(=O)NC1CC[NH+](C2CCOC2)CC1)C(=O)[O-]	REAL300013882128	0	55	0.0	-67.78	395.74	5.66	-62.12
CCC(CC)(CNC(=O)N(C)CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013882195	0	61	0.0	-67.06	438.93	8.70	-58.36
CCC(CC)(CNC(=O)N(C)CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013882195	1	61	0.0	-65.58	444.54	8.43	-57.15
CCC(CC)(CNC(=O)NCCC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300013882199	0	59	0.0	-65.49	415.37	7.89	-57.60
CCC(CC)(CNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013882201	0	63	0.0	-67.55	458.55	10.83	-56.72
CCC(CC)(CNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1)C(=O)[O-]	REAL300013882208	1	54	0.0	-62.99	414.40	7.06	-55.93
CCC(CC)(CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)C(=O)[O-]	REAL300013882229	0	48	0.0	-64.85	358.52	2.23	-62.62
CCC(CC)(CNC(=O)NCC[N@H+]1CC[C@H](O)C1)C(=O)[O-]	REAL300013882229	1	48	0.0	-61.90	353.16	2.39	-59.51
CCC(CC)(CNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013882236	0	61	0.0	-66.57	395.74	7.77	-58.80
CCC(CC)(CNC(=O)N1CCC(CC)([NH+](C)C)CC1)C(=O)[O-]	REAL300013882249	0	56	0.0	-68.22	373.41	8.28	-59.94
CCC(CC)(CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013882266	0	57	0.0	-61.01	386.03	8.71	-52.30
CCC(CC)(CNC(=O)N1CCC(CC)([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013882273	0	60	0.0	-60.76	400.28	9.46	-51.30
CCC(CC)(CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C(=O)[O-]	REAL300013882278	0	48	0.0	-64.47	357.84	2.19	-62.28
CCC(CC)(CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)C(=O)[O-]	REAL300013882278	1	48	0.0	-63.65	356.36	2.54	-61.11
CCC(CC)(CNC(=O)N(CCOC)CC1CC[NH+](C)CC1)C(=O)[O-]	REAL300013882284	0	60	0.0	-75.93	429.97	9.04	-66.89
CCC(CC)(CNC(=O)N1CCC2(CC1)CC[NH+](C)CC2)C(=O)[O-]	REAL300013882286	0	57	0.0	-70.21	383.92	9.06	-61.15
CCC(CC)(CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013882289	0	58	0.0	-64.33	387.30	7.12	-57.21
CCC(CC)(CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)C(=O)[O-]	REAL300013882294	0	54	0.0	-65.73	391.36	4.26	-61.47
CCC(CC)(CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)C(=O)[O-]	REAL300013882294	1	54	0.0	-64.65	387.43	4.75	-59.90
CCC(CC)(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013882305	0	60	0.0	-63.69	441.06	9.55	-54.14
CCC(CC)(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013882305	1	60	0.0	-65.79	442.14	9.94	-55.85
CCC(CC)(CNC(=O)NC1CCCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013882313	0	63	0.0	-65.01	441.57	10.37	-54.64
CCC(CC)(CNC(=O)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013882313	1	63	0.0	-65.75	441.43	10.71	-55.04
CCC(CC)(CNC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013882336	0	54	0.0	-79.17	400.04	6.86	-72.31
CCC(CC)(CNC(=O)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013882408	0	60	0.0	-62.30	434.18	10.15	-52.15
CCC(CC)(CNC(=O)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013882408	1	60	0.0	-56.79	420.37	9.64	-47.15
CCC(CC)(CNC(=O)N1CCC2C(CC[N@@H+]2C)C1)C(=O)[O-]	REAL300013882409	0	51	0.0	-65.14	353.35	7.76	-57.38
CCC(CC)(CNC(=O)N1CCC2C(CC[N@H+]2C)C1)C(=O)[O-]	REAL300013882409	1	51	0.0	-63.77	361.43	8.20	-55.57
CCC(CC)(CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013882419	0	60	0.0	-55.97	420.38	9.64	-46.33
CCC(CC)(CNC(=O)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013882419	1	60	0.0	-62.00	434.00	10.13	-51.87
CCC(CC)(CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013882421	0	59	0.0	-65.72	407.51	7.16	-58.56
CCC(CC)(CNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)C(=O)[O-]	REAL300013882421	1	59	0.0	-69.18	407.24	7.18	-62.00
CCC(CC)(CNC(=O)NCC1C2=CC=CC=C2C[N@H+]1C)C(=O)[O-]	REAL300013882424	1	51	0.0	-54.86	379.16	8.08	-46.78
CCC(CC)(CNC(=O)NCC1C2=CC=CC=C2C[N@@H+]1C)C(=O)[O-]	REAL300013882424	1	51	0.0	-61.46	383.88	7.93	-53.53
CCC(CC)(CNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)C(=O)[O-]	REAL300013882430	0	53	0.0	-61.39	368.18	8.06	-53.33
CCC(CC)(CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)C(=O)[O-]	REAL300013882430	1	53	0.0	-59.92	364.71	7.75	-52.17
CCC(CC)(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2C)CCO1)C(=O)[O-]	REAL300013882436	1	61	0.0	-69.24	450.56	8.25	-60.99
CCC(CC)(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2C)CCO1)C(=O)[O-]	REAL300013882436	1	61	0.0	-66.75	441.56	8.49	-58.26
CCC(CC)(CNC(=O)NC1CCC(C)([NH+](C)C)CC1)C(=O)[O-]	REAL300013882441	0	56	0.0	-65.59	379.47	7.03	-58.56
CCC(CC)(CNC(=O)NC1CC[N@H+](CC2=CC=C(C)C=C2)C1)C(=O)[O-]	REAL300013882459	0	57	0.0	-64.35	424.16	9.65	-54.70
CCC(CC)(CNC(=O)NC1CC[N@@H+](CC2=CC=C(C)C=C2)C1)C(=O)[O-]	REAL300013882459	1	57	0.0	-66.19	425.65	9.24	-56.95
CCC(CC)(CNC(=O)NC[C@@H]1C[C@H](OC)CN1C1=CC(C)=[NH+]C=N1)C(=O)[O-]	REAL300013882473	1	59	0.0	-57.19	442.60	6.50	-50.69
CCC(CC)(CNC(=O)N(C)C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013882474	0	63	0.0	-62.07	448.22	12.13	-49.94
CCC(CC)(CNC(=O)N(C)C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013882474	1	63	0.0	-58.83	429.43	11.56	-47.27
CCC(CC)(CNC(=O)N(CC(C)C)CC1CC[NH+](C)CC1)C(=O)[O-]	REAL300013882476	0	62	0.0	-66.82	435.94	10.79	-56.03
CCC(CC)(CNC(=O)N1CCN(C)C2=[NH+]C=CC=C2C1)C(=O)[O-]	REAL300013882490	1	50	0.0	-48.88	365.83	7.30	-41.58
CCC(CC)(CNC(=O)N(C)CCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300013882512	0	59	0.0	-64.48	423.25	10.23	-54.25
CCC(CC)(CNC(=O)NC1CCC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013882514	0	63	0.0	-67.83	445.86	4.95	-62.88
CCC(CC)(CNC(=O)NC1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013882514	1	63	0.0	-67.91	450.56	4.78	-63.13
CCC1=CC=C(C[NH+]2CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC2)C=C1	REAL300013882532	1	60	0.0	-62.78	438.69	11.43	-51.35
CCC(CC)(CNC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013882536	0	59	0.0	-73.35	435.53	7.23	-66.12
CCC(CC)(CNC(=O)N1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013882538	1	57	0.0	-61.46	410.80	10.63	-50.83
CCC(CC)(CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013882539	0	61	0.0	-63.34	413.92	5.90	-57.44
CCC(CC)(CNC(=O)N1CCC(CC)([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013882547	0	63	0.0	-59.01	415.82	10.13	-48.88
CCC(CC)(CNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013882559	0	67	0.0	-73.12	472.76	10.09	-63.03
CCC(CC)(CNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013882559	1	67	0.0	-73.69	463.60	10.45	-63.24
CCC(CC)(CNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013882563	0	64	0.0	-68.38	451.07	9.50	-58.88
CCC(CC)(CNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013882563	1	64	0.0	-70.67	444.72	9.52	-61.15
CCC(CC)(CNC(=O)N(C)C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013882573	0	63	0.0	-64.83	440.32	11.44	-53.39
CCC(CC)(CNC(=O)N(C)C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013882573	1	63	0.0	-57.88	448.77	12.42	-45.46
CCC(CC)(CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013882639	0	60	0.0	-60.58	401.08	9.40	-51.18
CCC(CC)(CNC(=O)N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1)C(=O)[O-]	REAL300013882641	0	61	0.0	-54.84	439.81	11.99	-42.85
CCC(CC)(CNC(=O)N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1)C(=O)[O-]	REAL300013882641	1	61	0.0	-67.06	446.31	11.20	-55.86
CCOC(CNC(=O)NCC(CC)(CC)C(=O)[O-])C[NH+](C)C	REAL300013882677	0	53	0.0	-66.74	392.20	5.43	-61.31
CC[N@@H+]1CCCN(C(=O)NCC(CC)(CC)C(=O)[O-])CCOCC1	REAL300013882719	0	57	0.0	-63.56	394.71	7.95	-55.61
CC[N@H+]1CCCN(C(=O)NCC(CC)(CC)C(=O)[O-])CCOCC1	REAL300013882719	1	57	0.0	-64.13	389.48	7.78	-56.35
CCC(CC)(CNC(=O)NCC1CC(O)C[N@@H+]1C)C(=O)[O-]	REAL300013882724	0	48	0.0	-66.71	347.73	2.05	-64.66
CCC(CC)(CNC(=O)NCC1CC(O)C[N@H+]1C)C(=O)[O-]	REAL300013882724	1	48	0.0	-66.95	346.97	1.96	-64.99
CCC(CC)(CNC(=O)NC1CCC[N@@H+]2CCSCC12)C(=O)[O-]	REAL300013882730	0	52	0.0	-68.60	383.74	7.37	-61.23
CCC(CC)(CNC(=O)NC1CCC[N@H+]2CCSCC12)C(=O)[O-]	REAL300013882730	1	52	0.0	-68.62	383.75	7.38	-61.24
CCC(CC)(CNC(=O)NCC1=CC(N(C)C)=CC=[NH+]1)C(=O)[O-]	REAL300013882756	0	49	0.0	-55.56	374.47	5.15	-50.41
CCC(CC)(CNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013882784	0	60	0.0	-60.27	406.37	8.42	-51.85
CCC(CC)(CNC(=O)N1CCC(CC)([NH+]2CCC2)CC1)C(=O)[O-]	REAL300013882788	0	57	0.0	-63.32	379.03	8.19	-55.13
CCC(CC)(CNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1)C(=O)[O-]	REAL300013882794	0	61	0.0	-74.52	437.66	11.70	-62.82
CCC(CC)(CNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1)C(=O)[O-]	REAL300013882794	1	61	0.0	-72.86	437.47	11.18	-61.68
CCC(CC)(CNC(=O)N1CCN(C2=CC=[NH+]C=C2)CC1C)C(=O)[O-]	REAL300013882808	0	53	0.0	-68.06	382.00	6.76	-61.30
CCC(CC)(CNC(=O)NC(CC[NH+](C)C)C1=CC=CN=C1)C(=O)[O-]	REAL300013882825	0	55	0.0	-70.22	411.62	7.86	-62.36
CCC(CC)(CNC(=O)NCCNC1=CC=C(C)C=[NH+]1)C(=O)[O-]	REAL300013882851	1	49	0.0	-60.94	377.94	5.28	-55.66
CCC(CC)(CNC(=O)NCCNC1=CC=CC(C)=[NH+]1)C(=O)[O-]	REAL300013882852	1	49	0.0	-59.45	377.88	5.23	-54.22
CCC(CC)(CNC(=O)N1CC[N@H+](C)CC1CC(C)C)C(=O)[O-]	REAL300013882864	0	56	0.0	-62.92	380.71	8.31	-54.61
CCC(CC)(CNC(=O)N1CC[N@@H+](C)CC1CC(C)C)C(=O)[O-]	REAL300013882864	1	56	0.0	-61.35	382.93	8.89	-52.46
CCC(CC)(CNC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)C(=O)[O-]	REAL300013882897	0	51	0.0	-69.05	366.59	7.44	-61.61
CCC(CC)(CNC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)C(=O)[O-]	REAL300013882897	1	51	0.0	-73.27	366.15	7.53	-65.74
CCC(CC)(CNC(=O)N1CCN(C2=NC(N)=[NH+]C(C3CC3)=N2)CC1)C(=O)[O-]	REAL300013882908	1	57	0.0	-58.06	426.64	9.92	-48.14
CCC(CC)(CNC(=O)N1CCN(C2=NC(N)=NC(C3CC3)=[NH+]2)CC1)C(=O)[O-]	REAL300013882908	1	57	0.0	-55.30	420.68	10.01	-45.29
CCC(CC)(CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)C(=O)[O-]	REAL300013882985	0	57	0.0	-63.72	386.65	7.98	-55.74
CC[NH+](CC)CC(CC)(CC)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013882987	0	61	0.0	-60.50	404.91	9.44	-51.06
CCC(CC)(CNC(=O)NC1CCC2C[N@H+](C)CC2C1)C(=O)[O-]	REAL300013883022	0	54	0.0	-71.47	385.45	7.51	-63.96
CCC(CC)(CNC(=O)NC1CCC2C[N@@H+](C)CC2C1)C(=O)[O-]	REAL300013883022	1	54	0.0	-69.74	383.61	7.43	-62.31
CC[N@@H+]1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1(C)C	REAL300013883084	0	53	0.0	-57.54	361.08	8.37	-49.17
CC[N@H+]1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1(C)C	REAL300013883084	1	53	0.0	-57.65	360.56	8.25	-49.40
CCC(CC)(CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013883101	0	61	0.0	-66.94	412.63	6.68	-60.26
CCC(CC)(CNC(=O)N1CCC2C1CCC[N@@H+]2CCO)C(=O)[O-]	REAL300013883110	0	55	0.0	-68.27	390.42	5.04	-63.23
CCC(CC)(CNC(=O)N1CCC2C1CCC[N@H+]2CCO)C(=O)[O-]	REAL300013883110	1	55	0.0	-68.33	379.21	4.86	-63.47
CCC(CC)(CNC(=O)N(C)CC(C)(C)C[NH+](C)C)C(=O)[O-]	REAL300013883112	0	55	0.0	-66.03	374.86	8.64	-57.39
CCC(CC)(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C(=O)[O-]	REAL300013883116	0	55	0.0	-57.64	393.11	7.78	-49.86
CCC(CC)(CNC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013883137	0	61	0.0	-63.71	444.10	8.44	-55.27
CCC(CC)(CNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013883138	0	63	0.0	-68.21	451.00	10.16	-58.05
CCC(CC)(CNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013883138	1	63	0.0	-71.27	458.24	10.37	-60.90
CCC(CC)(CNC(=O)NCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300013883176	0	53	0.0	-59.95	382.68	6.87	-53.08
CCC(CC)(CNC(=O)NCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300013883176	1	53	0.0	-60.00	382.17	6.86	-53.14
CCC(CC)(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1)C(=O)[O-]	REAL300013883205	1	57	0.0	-59.34	404.94	10.92	-48.42
CCC(CC)(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1)C(=O)[O-]	REAL300013883205	1	57	0.0	-58.78	412.39	10.44	-48.34
CCC(C)[NH+]1CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013883206	0	56	0.0	-61.49	389.55	7.71	-53.78
CCC(CC)(CNC(=O)N1CC2CCC([NH+](C)C)CC2C1)C(=O)[O-]	REAL300013883239	0	57	0.0	-73.80	400.98	8.94	-64.86
CCN1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC[N@H+](CC)CC1	REAL300013883260	0	61	0.0	-58.78	400.51	7.41	-51.37
CCN1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC[N@@H+](CC)CC1	REAL300013883260	1	61	0.0	-62.80	404.78	7.14	-55.66
CCC(CC)(CNC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013883271	0	53	0.0	-66.38	387.87	5.63	-60.75
CCC1CN(C(=O)NCC(CC)(CC)C(=O)[O-])CC[N@H+](C)C1	REAL300013883287	0	53	0.0	-59.04	370.43	8.70	-50.34
CCC1CN(C(=O)NCC(CC)(CC)C(=O)[O-])CC[N@@H+](C)C1	REAL300013883287	1	53	0.0	-69.18	365.13	8.58	-60.60
CCC(CC)(CNC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300013883288	0	64	0.0	-58.71	436.41	6.49	-52.22
CCC(CC)(CNC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300013883294	0	53	0.0	-60.66	374.19	5.35	-55.31
CCC(CC)(CNC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300013883294	1	53	0.0	-67.39	385.12	5.17	-62.22
CC[NH+](CC)CCC(NC(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=CC=C1	REAL300013883295	0	62	0.0	-66.88	452.77	10.59	-56.29
CCC(CC)(CNC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300013883306	0	56	0.0	-63.79	392.82	7.44	-56.35
CCC(CC)(CNC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300013883306	1	56	0.0	-61.84	392.44	7.62	-54.22
CCC(CC)(CNC(=O)NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013883309	0	54	0.0	-69.70	407.54	7.17	-62.53
CCC(CC)(CNC(=O)N1C[C@H]2C[C@H](CO)[N@H+](C)[C@H]2C1)C(=O)[O-]	REAL300013883318	0	52	0.0	-59.85	366.83	4.53	-55.32
CCC(CC)(CNC(=O)N1C[C@H]2C[C@H](CO)[N@@H+](C)[C@H]2C1)C(=O)[O-]	REAL300013883318	1	52	0.0	-64.38	368.62	4.53	-59.85
CCC(CC)(CNC(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1)C(=O)[O-]	REAL300013883325	1	53	0.0	-58.17	391.02	7.99	-50.18
CCC(CC)(CNC(=O)N(C)CCC[NH+]1CCOCC1)C(=O)[O-]	REAL300013883326	1	54	0.0	-62.07	390.55	7.38	-54.69
CCC(CC)(CNC(=O)N1C[C@H]2C[N@H+](C)CC[C@@]2(C(=O)OC)C1)C(=O)[O-]	REAL300013883333	0	57	0.0	-64.79	415.64	8.26	-56.53
CCC(CC)(CNC(=O)N1C[C@H]2C[N@@H+](C)CC[C@@]2(C(=O)OC)C1)C(=O)[O-]	REAL300013883333	1	57	0.0	-66.08	412.20	8.29	-57.79
CCC(CC)(CNC(=O)N(C)C1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300013883356	0	59	0.0	-62.11	401.73	9.47	-52.64
CCC(CC)(CNC(=O)NC1CC[NH+](CC2CCCO2)CC1)C(=O)[O-]	REAL300013883365	0	58	0.0	-65.45	418.09	6.70	-58.75
CCC(CC)(CNC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013883375	1	59	0.0	-64.68	427.18	7.37	-57.31
CCC(CC)(CNC(=O)NCC[NH+]1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300013883397	1	51	0.0	-66.85	382.71	7.51	-59.34
CCC(CC)(CNC(=O)NC[C@@H]1C[C@@H](OC)C[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013883405	0	61	0.0	-58.21	445.80	7.86	-50.35
CCC(CC)(CNC(=O)NC[C@@H]1C[C@@H](OC)C[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013883405	1	61	0.0	-62.76	458.30	8.21	-54.55
CCC(CC)(CNC(=O)NC1(C)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013883408	0	57	0.0	-64.23	417.67	9.24	-54.99
CCC(CC)(CNC(=O)NC1(C)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013883408	1	57	0.0	-67.83	417.88	8.85	-58.98
CCC(CC)(CNC(=O)N1CC[NH+](C2CCCC2O)CC1)C(=O)[O-]	REAL300013883435	0	55	0.0	-61.19	389.34	5.67	-55.52
CCC(CC)(CNC(=O)N1CC[N@H+](CC2CN(C)CCO2)CC1C)C(=O)[O-]	REAL300013883451	1	63	0.0	-58.37	440.52	6.71	-51.66
CCC(CC)(CNC(=O)N1CC[N@@H+](CC2CN(C)CCO2)CC1C)C(=O)[O-]	REAL300013883451	1	63	0.0	-56.24	437.15	6.36	-49.88
CCC(CC)(CNC(=O)N1CCN(CC2C[N@H+](C)CCO2)CC1C)C(=O)[O-]	REAL300013883451	1	63	0.0	-67.89	425.41	6.10	-61.79
CCC(CC)(CNC(=O)N1CCN(CC2C[N@@H+](C)CCO2)CC1C)C(=O)[O-]	REAL300013883451	1	63	0.0	-72.07	425.99	6.26	-65.81
CC[N@@H+]1CCOC(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013883453	1	51	0.0	-68.32	374.69	5.01	-63.31
CC[N@H+]1CCOC(CNC(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013883453	1	51	0.0	-65.28	368.76	4.58	-60.70
CCC(CC)(CNC(=O)NCC[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300013883458	0	51	0.0	-64.40	371.51	3.29	-61.11
CCC(CC)(CNC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300013883461	0	60	0.0	-65.38	428.48	9.42	-55.96
CCC(CC)(CNC(=O)NC1CCCCC1[NH+](C)C)C(=O)[O-]	REAL300013883464	0	53	0.0	-53.79	368.93	7.11	-46.68
CCC(CC)(CNC(=O)N1CCC([N@@H+]2CCC(O)C2)CC1)C(=O)[O-]	REAL300013883485	0	55	0.0	-67.39	386.93	5.56	-61.83
CCC(CC)(CNC(=O)N1CCC([N@H+]2CCC(O)C2)CC1)C(=O)[O-]	REAL300013883485	1	55	0.0	-64.87	391.66	5.40	-59.47
CCC(CC)(CNC(=O)N1CC2CCCC[N@@H+]2CC1C)C(=O)[O-]	REAL300013883516	0	54	0.0	-62.54	377.01	8.87	-53.67
CCC(CC)(CNC(=O)N1CC2CCCC[N@H+]2CC1C)C(=O)[O-]	REAL300013883516	1	54	0.0	-63.83	375.48	8.67	-55.16
CCC(CC)(CNC(=O)N1CCCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013883543	0	58	0.0	-66.59	394.36	8.05	-58.54
CCC(CC)(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013883552	1	57	0.0	-61.25	404.91	10.92	-50.33
CCC(CC)(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013883552	1	57	0.0	-66.35	408.06	10.60	-55.75
CC[NH+](CC)CC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013883553	0	56	0.0	-66.62	394.91	9.04	-57.58
CCC(CC)(CNC(=O)N1CC[NH+](C(COC)COC)CC1)C(=O)[O-]	REAL300013883562	1	58	0.0	-54.51	411.86	7.50	-47.01
CCC(CC)(CNC(=O)NCCN(C)CCC[NH+](C)C)C(=O)[O-]	REAL300013883573	0	57	0.0	-70.58	416.37	4.83	-65.75
CCC(CC)(CNC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300013883574	1	51	0.0	-68.49	370.49	8.08	-60.41
CCC(CC)(CNC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300013883574	1	51	0.0	-73.24	370.94	7.62	-65.62
CCC(CC)(CNC(=O)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013883577	1	57	0.0	-71.73	424.79	10.93	-60.80
CCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1CC[N@H+](CC)C1	REAL300013883599	0	53	0.0	-58.24	377.02	8.66	-49.58
CCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1CC[N@@H+](CC)C1	REAL300013883599	1	53	0.0	-53.62	373.56	8.61	-45.01
CCC(CC)(CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C(=O)[O-]	REAL300013883612	0	54	0.0	-70.05	392.32	7.04	-63.01
CCC(CC)(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C(C)C)C1)C(=O)[O-]	REAL300013883621	0	63	0.0	-62.80	430.45	11.29	-51.51
CCC(CC)(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C(C)C)C1)C(=O)[O-]	REAL300013883621	1	63	0.0	-61.48	444.29	11.66	-49.82
CCC(CC)(CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C(=O)[O-]	REAL300013883642	0	63	0.0	-63.88	429.56	4.58	-59.30
CC[NH+]1CCC(N2CCCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC2)CC1	REAL300013883645	0	65	0.0	-57.92	441.37	9.61	-48.31
CCN1CCC([N@@H+]2CCCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC2)CC1	REAL300013883645	1	65	0.0	-59.40	436.27	8.94	-50.46
CCN1CCC([N@H+]2CCCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC2)CC1	REAL300013883645	1	65	0.0	-62.04	439.31	9.24	-52.80
CCC[N@H+](C)CC(C)(C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013883658	0	55	0.0	-60.99	380.14	8.12	-52.87
CCC[N@@H+](C)CC(C)(C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013883658	1	55	0.0	-58.15	380.17	8.21	-49.94
CCC(CC)(CNC(=O)N1CCCC([NH2+]C2CCOCC2)C1)C(=O)[O-]	REAL300013883669	0	58	0.0	-68.72	403.96	6.52	-62.20
CCC(CC)(CNC(=O)NCC1CCC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300013883678	0	57	0.0	-63.02	405.48	8.52	-54.50
CCC(CC)(CNC(=O)NCC1CCC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300013883678	1	57	0.0	-67.05	413.65	8.56	-58.49
CCCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1CC[N@H+](C)C1	REAL300013883684	0	53	0.0	-60.80	376.81	8.56	-52.24
CCCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1CC[N@@H+](C)C1	REAL300013883684	1	53	0.0	-63.29	379.30	8.51	-54.78
CCC(CC)(CNC(=O)N1CC[N@H+](C)CC(C(=O)OC)C1)C(=O)[O-]	REAL300013883716	0	53	0.0	-66.15	387.84	8.15	-58.00
CCC(CC)(CNC(=O)N1CC[N@@H+](C)CC(C(=O)OC)C1)C(=O)[O-]	REAL300013883716	1	53	0.0	-65.67	379.67	8.24	-57.43
CCC(CC)(CNC(=O)NC[C@@H]1C[C@H](OC)C[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013883719	0	61	0.0	-59.65	445.93	7.86	-51.79
CCC(CC)(CNC(=O)NC[C@@H]1C[C@H](OC)C[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013883719	1	61	0.0	-59.54	446.25	8.43	-51.11
CCC(CC)(CNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)C1)C(=O)[O-]	REAL300013883722	0	62	0.0	-67.79	428.26	7.37	-60.42
CCC(CC)(CNC(=O)N1CCC2C1CCC[N@@H+]2C)C(=O)[O-]	REAL300013883746	0	51	0.0	-70.02	352.26	7.13	-62.89
CCC(CC)(CNC(=O)N1CCC2C1CCC[N@H+]2C)C(=O)[O-]	REAL300013883746	1	51	0.0	-69.36	349.95	7.43	-61.93
CCC(CC)(CNC(=O)NCC1CCCC[N@H+](C)C1)C(=O)[O-]	REAL300013883754	0	53	0.0	-65.16	372.19	7.47	-57.69
CCC(CC)(CNC(=O)NCC1CCCC[N@@H+](C)C1)C(=O)[O-]	REAL300013883754	1	53	0.0	-66.12	369.66	7.20	-58.92
CCC(CC)(CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)C(=O)[O-]	REAL300013883755	0	51	0.0	-56.13	356.04	7.57	-48.56
CCC(CC)(CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)C(=O)[O-]	REAL300013883755	1	51	0.0	-65.44	357.54	7.88	-57.56
CCC(CC)(CNC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1)C(=O)[O-]	REAL300013883793	0	57	0.0	-62.56	396.33	6.76	-55.80
CCC(CC)(CNC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1)C(=O)[O-]	REAL300013883793	1	57	0.0	-59.96	395.21	7.25	-52.71
CCC(CC)(CNC(=O)N1CN(CC[NH+](C)C)C(=O)C1C)C(=O)[O-]	REAL300013883854	0	54	0.0	-62.95	404.32	7.33	-55.62
CCC(CC)(CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C(=O)[O-]	REAL300013883855	0	60	0.0	-67.66	434.18	6.28	-61.38
CCC(CC)(CNC(=O)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300013883858	0	53	0.0	-64.89	408.26	7.36	-57.53
CCC(CC)(CNC(=O)N1CC2=CC=C[NH+]=C2N2C[C@H](O)C[C@H]2C1)C(=O)[O-]	REAL300013883878	1	55	0.0	-51.09	398.48	5.01	-46.08
CCC(CC)(CNC(=O)N1CC2=CC=C[NH+]=C2N2C[C@H](OC)C[C@@H]2C1)C(=O)[O-]	REAL300013883879	1	58	0.0	-49.80	417.78	7.79	-42.01
CCC(CC)(CNC(=O)N1CC2=CC=C[NH+]=C2N2CC(OC)CC2C1)C(=O)[O-]	REAL300013883888	1	58	0.0	-48.88	420.42	7.35	-41.53
CCC(CC)(CNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1)C(=O)[O-]	REAL300013883901	1	54	0.0	-58.38	382.69	8.63	-49.75
CCC(CC)(CNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1)C(=O)[O-]	REAL300013883902	1	54	0.0	-49.85	387.50	8.43	-41.42
CCC(CC)(CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C(=O)[O-]	REAL300013883910	0	54	0.0	-68.13	399.47	3.35	-64.78
CCC(CC)(CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C(=O)[O-]	REAL300013883910	1	54	0.0	-72.46	398.34	2.67	-69.79
CCC(CC)(CNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013883916	0	57	0.0	-66.00	422.90	9.32	-56.68
CCC(CC)(CNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013883916	1	57	0.0	-64.93	424.65	9.04	-55.89
CCC(CC)(CNC(=O)N1CCN2N=CC(C[NH+](C)C)=C2C1)C(=O)[O-]	REAL300013883953	0	54	0.0	-57.20	395.91	7.72	-49.48
CCC(CC)(CNC(=O)NC1CCC2C[N@H+](C)CC21)C(=O)[O-]	REAL300013883990	0	51	0.0	-61.53	358.80	7.57	-53.96
CCC(CC)(CNC(=O)NC1CCC2C[N@@H+](C)CC21)C(=O)[O-]	REAL300013883990	1	51	0.0	-68.17	364.02	6.86	-61.31
CCC(CC)(CNC(=O)N1CCN2C(=C[NH+]=C2C)C1)C(=O)[O-]	REAL300013884022	1	46	0.0	-58.17	343.47	7.51	-50.66
CCC(CC)(CNC(=O)N1CC23C[NH+](C)CC2(C1)CCCC3)C(=O)[O-]	REAL300013884040	0	58	0.0	-67.69	403.10	8.95	-58.74
CCC(CC)(CNC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300013884085	0	50	0.0	-69.96	392.64	7.32	-62.64
CCC(CC)(CNC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300013884127	0	68	0.0	-57.44	457.27	7.52	-49.92
CCC(CC)(CNC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300013884127	1	68	0.0	-57.92	463.79	7.44	-50.48
CCC(CC)(CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)[O-]	REAL300013884146	0	55	0.0	-60.80	389.59	5.79	-55.01
CCC(CC)(CNC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013884148	0	62	0.0	-71.33	452.32	8.17	-63.16
CC[NH+](CC)CCC(C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013884154	0	55	0.0	-66.10	394.08	7.32	-58.78
CCC(CC)(CNC(=O)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21)C(=O)[O-]	REAL300013884187	0	58	0.0	-53.42	411.81	10.29	-43.13
CCC(CC)(CNC(=O)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21)C(=O)[O-]	REAL300013884187	1	58	0.0	-51.52	413.47	11.32	-40.20
CCC(CC)(CNC(=O)N(C)[C@@H]1C[N@H+](C)C[C@H]1O)C(=O)[O-]	REAL300013884188	0	48	0.0	-68.68	347.84	3.92	-64.76
CCC(CC)(CNC(=O)N(C)[C@@H]1C[N@@H+](C)C[C@H]1O)C(=O)[O-]	REAL300013884188	1	48	0.0	-72.32	348.42	3.89	-68.43
CCC(CC)(CNC(=O)N1CC(C(=O)OC)CC([NH+](C)C)C1)C(=O)[O-]	REAL300013884211	0	56	0.0	-56.84	402.64	8.70	-48.14
CCC(CC)(CNC(=O)N1CCC(C)([NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013884217	1	55	0.0	-62.92	383.50	6.77	-56.15
CCC(CC)(CNC(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1)C(=O)[O-]	REAL300013884227	0	56	0.0	-61.60	400.20	10.92	-50.68
CCC(CC)(CNC(=O)N[C@@H]1C[N@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300013884231	0	48	0.0	-65.75	359.29	3.97	-61.78
CCC(CC)(CNC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1OC)C(=O)[O-]	REAL300013884231	1	48	0.0	-65.74	359.30	3.96	-61.78
CCC[NH+](CCC)CCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013884293	0	55	0.0	-63.20	395.67	6.99	-56.21
CCC(CC)(CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013884303	0	54	0.0	-63.91	403.19	8.61	-55.30
CCC(CC)(CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013884303	1	54	0.0	-65.14	393.71	8.11	-57.03
CC[N@H+](C)CC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013884318	0	56	0.0	-68.57	393.42	9.21	-59.36
CC[N@@H+](C)CC1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013884318	1	56	0.0	-70.15	393.54	9.20	-60.95
CCC(CC)(CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300013884340	0	63	0.0	-62.01	440.15	9.65	-52.36
CCC(CC)(CNC(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300013884340	1	63	0.0	-62.06	435.83	9.70	-52.36
CCC(CC)(CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300013884356	0	54	0.0	-68.69	374.06	6.82	-61.87
CCC(CC)(CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300013884356	1	54	0.0	-59.32	366.98	7.06	-52.26
CCC(CC)(CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300013884364	1	54	0.0	-66.08	419.32	9.20	-56.88
CCC(CC)(CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300013884364	1	54	0.0	-66.91	411.59	8.41	-58.50
CCC(CC)(CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C(=O)[O-]	REAL300013884410	0	63	0.0	-68.11	440.68	9.15	-58.96
CCC(CC)(CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C(=O)[O-]	REAL300013884410	1	63	0.0	-75.39	440.93	8.70	-66.69
CCC(CC)(CNC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300013884437	0	54	0.0	-87.39	408.54	5.27	-82.12
CCC(CC)(CNC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300013884437	1	54	0.0	-85.56	403.82	5.43	-80.13
CCC(CC)(CNC(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1)C(=O)[O-]	REAL300013884445	1	53	0.0	-59.83	390.86	8.13	-51.70
CCC(CC)(CNC(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1)C(=O)[O-]	REAL300013884470	1	53	0.0	-59.83	390.86	8.13	-51.70
CCC[N@@H+]1CCCCC1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013884472	0	56	0.0	-60.70	387.48	7.45	-53.25
CCC[N@H+]1CCCCC1CNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013884472	1	56	0.0	-63.46	392.68	7.29	-56.17
CCC(CC)(CNC(=O)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1)C(=O)[O-]	REAL300013884492	1	53	0.0	-68.01	402.27	7.97	-60.04
CCC(CC)(CNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C)C(=O)[O-]	REAL300013884528	1	55	0.0	-67.35	385.19	6.91	-60.44
CCC(CC)(CNC(=O)NCC1=C[NH+]=C(C)N=C1N)C(=O)[O-]	REAL300013884546	1	45	0.0	-60.39	350.23	3.37	-57.02
CCC(CC)(CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300013884571	0	54	0.0	-64.17	404.29	8.91	-55.26
CCC(CC)(CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300013884571	1	54	0.0	-70.08	401.26	7.96	-62.12
CCC(CC)(CNC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300013884600	0	55	0.0	-62.80	382.15	9.18	-53.62
CCC(CC)(CNC(=O)N1CCN(C2=CC=[NH+]C=C2C)CC1)C(=O)[O-]	REAL300013884610	0	53	0.0	-65.19	391.87	7.56	-57.63
CCCC1=[NH+]C=CN1CCCNC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013884667	1	54	0.0	-62.30	408.73	8.01	-54.29
C=CC[N@H+]1CCCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013884687	0	51	0.0	-63.16	362.59	9.21	-53.95
C=CC[N@@H+]1CCCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300013884687	1	51	0.0	-57.35	364.17	8.90	-48.45
CCC(CC)(CNC(=O)N1CC23CCCC2(C1)C[NH+](C)C3)C(=O)[O-]	REAL300013884694	0	55	0.0	-76.99	384.31	8.39	-68.60
CCC(CC)(CNC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013884702	0	54	0.0	-58.94	407.27	8.85	-50.09
CCC(CC)(CNC(=O)N1CC[N@H+](C2CC2)C(C)C1)C(=O)[O-]	REAL300013884736	1	51	0.0	-61.48	360.50	8.43	-53.05
CCC(CC)(CNC(=O)N1CC[N@@H+](C2CC2)C(C)C1)C(=O)[O-]	REAL300013884736	1	51	0.0	-59.00	356.43	8.73	-50.27
CCC(CC)(CNC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300013884781	0	51	0.0	-71.75	372.16	4.50	-67.25
CCC(CC)(CNC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300013884783	0	55	0.0	-69.68	407.44	7.55	-62.13
CCC(CC)(CNC(=O)NC1C[N@H+](C)C2(CCC2)C1)C(=O)[O-]	REAL300013884785	0	51	0.0	-53.88	360.78	6.51	-47.37
CCC(CC)(CNC(=O)NC1C[N@@H+](C)C2(CCC2)C1)C(=O)[O-]	REAL300013884785	1	51	0.0	-60.09	366.08	6.35	-53.74
CCC(CC)(CNC(=O)N1CCCCC([NH+](C)C)C1)C(=O)[O-]	REAL300013884813	0	53	0.0	-50.38	363.65	8.43	-41.95
CCC(CC)(CNC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300013884822	1	55	0.0	-62.95	413.19	9.25	-53.70
CCC(CC)(CNC(=O)N[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300013884829	0	48	0.0	-60.29	350.99	4.16	-56.13
CCC(CC)(CNC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013884844	0	57	0.0	-64.35	404.56	8.20	-56.15
CCC(CC)(CNC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013884844	1	57	0.0	-61.48	399.59	9.05	-52.43
CCC(CC)(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300013884851	0	61	0.0	-60.67	442.91	9.91	-50.76
CCC(CC)(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300013884851	1	61	0.0	-60.63	443.87	9.96	-50.67
CCC1=[NH+]C=CN1CC(C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013884879	1	51	0.0	-50.53	389.41	7.92	-42.61
CCC(CC)(CNC(=O)N1CC(C)C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013884884	0	63	0.0	-67.06	439.66	12.20	-54.86
CCC(CC)(CNC(=O)N1CC(C)C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013884884	1	63	0.0	-64.99	439.25	11.91	-53.08
CC[N@@H+]1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC12CCOC2	REAL300013884980	1	55	0.0	-63.21	375.44	6.85	-56.36
CC[N@H+]1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC12CCOC2	REAL300013884980	1	55	0.0	-61.92	372.26	6.60	-55.32
CCC(CC)(CNC(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1)C(=O)[O-]	REAL300013885020	0	52	0.0	-56.25	374.13	5.09	-51.16
CCC(CC)(CNC(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013885035	0	60	0.0	-51.94	425.19	12.44	-39.50
CCC(CC)(CNC(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1)C(=O)[O-]	REAL300013885083	0	53	0.0	-69.06	386.68	7.02	-62.04
CCC(CC)(CNC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300013885092	0	56	0.0	-58.95	387.37	7.59	-51.36
CCC(CC)(CNC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300013885092	1	56	0.0	-57.94	388.73	7.39	-50.55
CCC(CC)(CNC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013885132	1	52	0.0	-57.77	390.06	7.24	-50.53
CCC(CC)(CNC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300013885133	0	54	0.0	-59.98	380.76	7.09	-52.89
CCC(CC)(CNC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300013885133	1	54	0.0	-55.55	378.93	6.99	-48.56
CCC(CC)(CNC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300013885177	0	55	0.0	-58.31	387.12	5.14	-53.17
CCC(CC)(CNC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300013885177	1	55	0.0	-62.58	387.15	4.99	-57.59
CCC(CC)(CNC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013885197	1	58	0.0	-57.63	395.05	7.72	-49.91
CCC(CC)(CNC(=O)N1CC[NH+](CC2=CC=C(C)C=C2)CC1)C(=O)[O-]	REAL300013885201	1	57	0.0	-62.87	412.50	10.82	-52.05
CCC(CC)(CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)C(=O)[O-]	REAL300013885213	0	54	0.0	-62.28	375.63	5.26	-57.02
CCC(CC)(CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)C(=O)[O-]	REAL300013885213	1	54	0.0	-61.29	378.58	4.86	-56.43
CCC(CC)(CNC(=O)N1CCC([N@H+](C)C(C)C)CC1)C(=O)[O-]	REAL300013885227	0	56	0.0	-63.51	383.85	8.51	-55.00
CCC(CC)(CNC(=O)N1CCC([N@@H+](C)C(C)C)CC1)C(=O)[O-]	REAL300013885227	1	56	0.0	-62.94	384.00	8.49	-54.45
CCC(CC)(CNC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013885231	0	60	0.0	-62.99	417.52	8.88	-54.11
CCC(CC)(CNC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013885231	1	60	0.0	-60.37	412.82	9.04	-51.33
CCC(CC)(CNC(=O)N1CCOC(CC[NH+](C)C)C1)C(=O)[O-]	REAL300013885244	0	54	0.0	-66.35	386.85	7.18	-59.17
CCC(CC)(CNC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013885272	1	55	0.0	-57.26	406.75	7.82	-49.44
CCC(CC)(CNC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013885276	1	58	0.0	-55.93	418.52	8.32	-47.61
CCC(CC)(CNC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013885294	1	49	0.0	-56.24	358.43	7.44	-48.80
CCCC1=[NH+]C=CN1C1CCCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1	REAL300013885362	1	58	0.0	-58.29	421.60	10.79	-47.50
CCC(CC)(CNC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013885420	1	49	0.0	-56.24	358.43	7.44	-48.80
CCC(CC)(CNC(=O)N1CCCC[C@H]([NH+](C)C)C1)C(=O)[O-]	REAL300013885429	0	53	0.0	-50.36	363.70	8.47	-41.89
CCC(CC)(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013885474	0	60	0.0	-58.41	433.91	9.28	-49.13
CCC(CC)(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013885474	1	60	0.0	-61.48	432.14	9.39	-52.09
CCC(CC)(CNC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013885501	0	56	0.0	-72.13	423.32	8.82	-63.31
CCC(CC)(CNC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013885507	0	60	0.0	-61.98	428.53	10.04	-51.94
CCC(CC)(CNC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013885507	1	60	0.0	-63.82	431.98	9.81	-54.01
CCC[N@H+](CCNC(=O)NCC(CC)(CC)C(=O)[O-])C(C)C	REAL300013885543	0	55	0.0	-62.20	388.58	6.64	-55.56
CCC[N@@H+](CCNC(=O)NCC(CC)(CC)C(=O)[O-])C(C)C	REAL300013885543	1	55	0.0	-59.46	384.82	6.98	-52.48
CCC(CC)(CNC(=O)NC1CC[N@H+](C)CC1(C)C)C(=O)[O-]	REAL300013885575	0	53	0.0	-68.23	374.32	7.08	-61.15
CCC(CC)(CNC(=O)NC1CC[N@@H+](C)CC1(C)C)C(=O)[O-]	REAL300013885575	1	53	0.0	-64.99	368.29	7.53	-57.46
CCC(CC)(CNC(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013885592	0	61	0.0	-63.60	428.89	8.54	-55.06
CCC(CC)(CNC(=O)N1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013885592	1	61	0.0	-64.94	421.95	8.54	-56.40
COC(=O)N1CC2CCC1C(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C2	REAL300013885628	1	57	0.0	-43.75	426.16	6.74	-37.01
O=C([O-])C[NH+]1CCC(NC(=O)NCCOCC2CCC2)CC1	REAL300013885678	1	49	0.0	-35.75	376.53	5.40	-30.35
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CC3CCC2CC3)CC1	REAL300013885728	1	52	0.0	-35.30	373.81	7.42	-27.88
CN1C=NC(CCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013885784	1	47	0.0	-42.30	373.77	6.08	-36.22
O=C([O-])C[NH+]1CCC(NC(=O)NC(CC2=CC=CC=C2)C2=NC=CO2)CC1	REAL300013885853	1	51	0.0	-39.13	407.88	5.72	-33.41
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CN(C3CC3)C(=O)O2)CC1	REAL300013885922	1	48	0.0	-44.70	375.27	4.60	-40.10
CS(=O)(=O)N1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013885992	1	47	0.0	-49.14	374.74	1.55	-47.59
CC1=C(Br)C=CC=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013886068	1	45	0.0	-36.04	368.36	7.60	-28.44
CC(CNC(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886175	1	52	0.0	-73.54	376.65	6.86	-66.68
CC(CNC(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886175	1	52	0.0	-71.86	368.69	6.79	-65.07
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886176	1	52	0.0	-75.98	399.34	6.43	-69.55
CC(CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886176	1	52	0.0	-76.12	396.99	6.44	-69.68
CC(CNC(=O)N1CCOC(C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886177	1	50	0.0	-77.70	368.10	5.21	-72.49
CC(CNC(=O)N1CCOC(C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886177	1	50	0.0	-77.17	361.53	5.25	-71.92
CC(CNC(=O)NC1CCC(C(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886178	1	55	0.0	-77.57	403.70	6.45	-71.12
CC(CNC(=O)NC1CCC(C(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886178	1	55	0.0	-76.77	399.63	6.13	-70.64
CC(CNC(=O)NCCCCC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886179	1	51	0.0	-75.01	384.81	5.43	-69.58
CC(CNC(=O)NCCCCC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886179	1	51	0.0	-74.28	380.73	5.12	-69.16
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886180	1	52	0.0	-73.78	401.08	6.75	-67.03
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886180	1	52	0.0	-75.33	391.31	6.36	-68.97
CC(CNC(=O)NCCCCCC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886181	1	54	0.0	-73.65	406.31	6.19	-67.46
CC(CNC(=O)NCCCCCC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886181	1	54	0.0	-73.48	396.54	5.82	-67.66
CC(CNC(=O)NCC(C)(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886182	1	51	0.0	-74.61	377.25	5.29	-69.32
CC(CNC(=O)NCC(C)(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886182	1	51	0.0	-74.29	366.90	4.94	-69.35
CC(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886183	1	52	0.0	-76.01	379.45	6.34	-69.67
CC(CNC(=O)N1CCC(C)(C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886183	1	52	0.0	-72.66	374.20	6.50	-66.16
CC(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886184	1	55	0.0	-55.66	394.76	8.00	-47.66
CC(CNC(=O)N1CC(C)CC(C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886184	1	55	0.0	-78.42	385.69	7.65	-70.77
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886185	1	55	0.0	-74.77	388.76	7.09	-67.68
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886185	1	55	0.0	-71.69	381.95	7.04	-64.65
CC(CNC(=O)NCCCC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886186	1	48	0.0	-68.44	363.31	4.63	-63.81
CC(CNC(=O)NCCCC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886186	1	48	0.0	-68.48	353.55	4.26	-64.22
CC(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886187	1	55	0.0	-79.55	395.40	7.34	-72.21
CC(CNC(=O)N1CCC(C)C(C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886187	1	55	0.0	-77.08	378.92	7.02	-70.06
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886188	1	56	0.0	-60.70	401.66	4.49	-56.21
CC(CNC(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886188	1	56	0.0	-59.54	400.59	4.28	-55.26
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886189	1	54	0.0	-69.49	396.60	5.51	-63.98
CC(CNC(=O)NCCC(C)(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886189	1	54	0.0	-69.63	386.25	5.14	-64.49
CCC(CC)(CNC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013886190	1	57	0.0	-58.80	405.35	6.65	-52.15
CCC(CC)(CNC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013886190	1	57	0.0	-60.13	400.12	6.17	-53.96
CC(CNC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013886191	1	48	0.0	-72.51	358.62	4.28	-68.23
CC(CNC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013886191	1	48	0.0	-71.98	356.29	4.30	-67.68
CC(C)C(CNC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013886192	1	54	0.0	-57.51	391.73	5.91	-51.60
CC(C)C(CNC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013886192	1	54	0.0	-61.07	389.33	5.42	-55.65
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886193	1	61	0.0	-77.58	438.01	7.05	-70.53
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886193	1	61	0.0	-74.98	431.01	7.18	-67.80
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886194	1	58	0.0	-57.52	426.54	7.84	-49.68
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886194	1	58	0.0	-59.50	422.72	7.90	-51.60
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886195	1	52	0.0	-68.37	383.41	5.61	-62.76
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886195	1	52	0.0	-65.57	376.61	5.62	-59.95
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886196	1	58	0.0	-76.40	415.90	8.22	-68.18
CC(CNC(=O)N1CCC(CCC(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886196	1	58	0.0	-74.08	409.53	8.28	-65.80
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886197	1	54	0.0	-71.18	393.11	4.91	-66.27
CC(CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886197	1	54	0.0	-71.15	390.87	5.12	-66.03
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886198	1	55	0.0	-58.54	399.85	6.33	-52.21
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886198	1	55	0.0	-60.82	392.06	6.30	-54.52
CC(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886199	1	55	0.0	-68.97	390.67	7.20	-61.77
CC(CNC(=O)N1CCC(C(=O)[O-])C(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886199	1	55	0.0	-68.78	384.23	7.24	-61.54
CC(CNC(=O)NCC1(C(=O)[O-])CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886200	1	52	0.0	-57.88	383.50	6.00	-51.88
CC(CNC(=O)NCC1(C(=O)[O-])CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886200	1	52	0.0	-59.12	379.73	5.68	-53.44
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886201	1	55	0.0	-64.70	406.86	6.67	-58.03
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886201	1	55	0.0	-65.94	402.75	6.35	-59.59
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886202	1	55	0.0	-74.77	388.76	7.09	-67.68
CC(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886202	1	55	0.0	-71.69	381.95	7.04	-64.65
CC(C)C[C@H](CNC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC(=O)[O-]	REAL300013886203	1	60	0.0	-67.20	428.17	6.75	-60.45
CC(C)C[C@H](CNC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC(=O)[O-]	REAL300013886203	1	60	0.0	-67.83	425.64	6.69	-61.14
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886204	1	52	0.0	-66.15	394.71	6.82	-59.33
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886204	1	52	0.0	-65.22	390.61	6.54	-58.68
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1	REAL300013886205	1	56	0.0	-76.82	411.05	6.37	-70.45
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1	REAL300013886205	1	56	0.0	-78.58	405.46	6.24	-72.34
CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886206	1	49	0.0	-68.76	366.45	4.85	-63.91
CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886206	1	49	0.0	-69.19	364.08	4.87	-64.32
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)N1C[C@@H](C)O[C@@H](C)C1	REAL300013886207	1	57	0.0	-35.96	416.63	3.97	-31.99
CC(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886208	1	52	0.0	-76.41	377.10	7.11	-69.30
CC(CNC(=O)N1CCC[C@@H](C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886208	1	52	0.0	-76.95	369.60	6.83	-70.12
CC(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886209	1	52	0.0	-55.77	378.29	7.16	-48.61
CC(CNC(=O)N1CCC[C@H](C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886209	1	52	0.0	-77.53	370.46	6.88	-70.65
CC(CNC(=O)NC1CC(C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886210	1	49	0.0	-71.39	368.67	5.24	-66.15
CC(CNC(=O)NC1CC(C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886210	1	49	0.0	-69.16	358.98	4.83	-64.33
CC(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886211	1	49	0.0	-71.53	368.59	5.25	-66.28
CC(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886211	1	49	0.0	-71.72	359.50	4.94	-66.78
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886212	1	52	0.0	-73.78	401.08	6.75	-67.03
CC(CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886212	1	52	0.0	-75.33	391.31	6.36	-68.97
CCC(CNC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013886213	1	51	0.0	-59.11	380.57	4.99	-54.12
CCC(CNC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013886213	1	51	0.0	-59.15	366.81	5.12	-54.03
CC(CNC(=O)N1CCCCC1CCC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886214	1	58	0.0	-79.37	409.92	8.21	-71.16
CC(CNC(=O)N1CCCCC1CCC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886214	1	58	0.0	-78.63	403.26	8.16	-70.47
CC(CNC(=O)NCCCCCCCC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886215	1	60	0.0	-76.06	449.30	7.75	-68.31
CC(CNC(=O)NCCCCCCCC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886215	1	60	0.0	-75.86	439.54	7.39	-68.47
CC(CNC(=O)NCCCCCCC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886216	1	57	0.0	-77.05	427.80	6.97	-70.08
CC(CNC(=O)NCCCCCCC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886216	1	57	0.0	-76.75	418.04	6.61	-70.14
CC(CNC(=O)N(C)CCCC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886217	1	51	0.0	-74.38	378.96	6.68	-67.70
CC(CNC(=O)N(C)CCCC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886217	1	51	0.0	-72.34	376.27	6.70	-65.64
CC(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886218	1	55	0.0	-79.81	390.81	7.50	-72.31
CC(CNC(=O)N1CCCC(C)(C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886218	1	55	0.0	-56.53	384.47	7.59	-48.94
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1	REAL300013886219	1	59	0.0	-82.25	422.15	7.29	-74.96
COCC1(C(=O)[O-])CCCN(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1	REAL300013886219	1	59	0.0	-81.28	415.47	7.33	-73.95
COCCN(CCC(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886220	1	55	0.0	-52.25	412.20	6.44	-45.81
COCCN(CCC(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886220	1	55	0.0	-54.97	409.25	6.09	-48.88
CC(CNC(=O)N1CCCC(CCC(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886221	1	58	0.0	-78.80	415.90	8.20	-70.60
CC(CNC(=O)N1CCCC(CCC(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886221	1	58	0.0	-76.66	413.97	8.22	-68.44
CC(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886222	1	56	0.0	-83.00	409.21	8.72	-74.28
CC(CNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886222	1	56	0.0	-73.43	401.23	9.24	-64.19
CC(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886223	1	53	0.0	-71.63	390.20	5.88	-65.75
CC(CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886223	1	53	0.0	-71.56	386.86	5.53	-66.03
CC(CNC(=O)N1CC(C(=O)[O-])CCC1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886224	1	55	0.0	-54.09	391.03	7.33	-46.76
CC(CNC(=O)N1CC(C(=O)[O-])CCC1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886224	1	55	0.0	-56.70	387.80	7.36	-49.34
CC(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886225	1	59	0.0	-62.17	438.51	9.37	-52.80
CC(CNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886225	1	59	0.0	-62.72	432.18	9.39	-53.33
CC(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886226	1	53	0.0	-75.21	385.67	4.35	-70.86
CC(CNC(=O)N1CCCC(O)(C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886226	1	53	0.0	-74.73	379.30	4.42	-70.31
CC(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886227	1	56	0.0	-70.00	416.29	7.39	-62.61
CC(CNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886227	1	56	0.0	-70.96	409.07	7.40	-63.56
CC(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886228	1	59	0.0	-83.69	427.45	6.61	-77.08
CC(CNC(=O)NC1CCCCN(CC(=O)[O-])C1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886228	1	59	0.0	-81.24	421.18	6.68	-74.56
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300013886229	1	59	0.0	-74.15	422.47	7.22	-66.93
COCC1(C(=O)[O-])CCN(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	REAL300013886229	1	59	0.0	-74.25	418.82	6.24	-68.01
CC(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886230	1	50	0.0	-77.43	378.52	5.43	-72.00
CC(CNC(=O)NC12CC(C(=O)[O-])(C1)C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886230	1	50	0.0	-76.72	374.52	5.17	-71.55
CC(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886231	1	61	0.0	-65.74	422.72	7.05	-58.69
CC(CNC(=O)NCC1(CC(=O)[O-])CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886231	1	61	0.0	-68.80	420.26	7.08	-61.72
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886232	1	55	0.0	-64.06	397.95	6.82	-57.24
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886232	1	55	0.0	-65.64	391.11	6.60	-59.04
CC(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886233	1	58	0.0	-75.28	422.14	7.11	-68.17
CC(CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886233	1	58	0.0	-75.46	413.09	6.77	-68.69
CC(CNC(=O)N1CCC(CC(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886234	1	55	0.0	-75.27	393.59	7.44	-67.83
CC(CNC(=O)N1CCC(CC(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886234	1	55	0.0	-65.93	387.22	7.50	-58.43
CC(CNC(=O)N1CCC(OCC(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886235	1	56	0.0	-76.58	410.25	6.90	-69.68
CC(CNC(=O)N1CCC(OCC(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886235	1	56	0.0	-76.25	408.23	6.90	-69.35
CC(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886236	1	55	0.0	-70.83	401.18	6.07	-64.76
CC(CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886236	1	55	0.0	-70.54	396.75	6.44	-64.10
CC(CNC(=O)NC1CCCC(C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886237	1	55	0.0	-69.91	403.18	6.42	-63.49
CC(CNC(=O)NC1CCCC(C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886237	1	55	0.0	-69.71	394.17	6.14	-63.57
CC(CNC(=O)NCC1(C(=O)[O-])CCCOC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886238	1	56	0.0	-58.45	405.63	5.01	-53.44
CC(CNC(=O)NCC1(C(=O)[O-])CCCOC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886238	1	56	0.0	-58.63	395.88	4.63	-54.00
CC(CNC(=O)NCC1(C(=O)[O-])CCOC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886239	1	53	0.0	-57.53	390.44	3.97	-53.56
CC(CNC(=O)NCC1(C(=O)[O-])CCOC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886239	1	53	0.0	-61.66	386.38	3.67	-57.99
CC(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886240	1	50	0.0	-68.99	378.26	5.57	-63.42
CC(CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886240	1	50	0.0	-69.27	371.80	5.62	-63.65
CC(CNC(=O)NCC1(C(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886241	1	49	0.0	-55.76	367.24	5.26	-50.50
CC(CNC(=O)NCC1(C(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886241	1	49	0.0	-58.71	365.17	5.31	-53.40
CC(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886242	1	56	0.0	-62.49	404.91	7.62	-54.87
CC(CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886242	1	56	0.0	-60.24	395.30	7.56	-52.68
CC(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886243	1	52	0.0	-65.74	397.13	6.63	-59.11
CC(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886243	1	52	0.0	-68.68	389.28	6.75	-61.93
CC(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886244	1	53	0.0	-58.28	383.40	5.99	-52.29
CC(CNC(=O)N1CCOC(C)(C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886244	1	53	0.0	-78.02	380.16	5.93	-72.09
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1	REAL300013886245	1	56	0.0	-77.49	409.47	5.83	-71.66
COC1CC(C(=O)[O-])CN(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1	REAL300013886245	1	56	0.0	-80.12	400.49	5.90	-74.22
CC(CNC(=O)N1CCC(C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886246	1	49	0.0	-73.04	362.74	5.89	-67.15
CC(CNC(=O)N1CCC(C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886246	1	49	0.0	-72.26	355.97	5.94	-66.32
CC(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886247	1	50	0.0	-77.26	377.22	5.60	-71.66
CC(CNC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886247	1	50	0.0	-76.78	371.15	5.65	-71.13
CC(CCC(=O)[O-])NC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886248	1	51	0.0	-65.26	383.05	5.66	-59.60
CC(CCC(=O)[O-])NC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013886248	1	51	0.0	-66.34	373.00	5.23	-61.11
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013886249	0	45	0.0	-76.34	362.85	6.82	-69.52
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013886250	0	45	0.0	-75.24	362.90	6.81	-68.43
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C1	REAL300013886251	0	55	0.0	-72.49	411.36	10.31	-62.18
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013886252	0	49	0.0	-65.15	365.21	4.86	-60.29
CC(NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013886253	0	54	0.0	-78.12	399.58	7.45	-70.67
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013886254	0	51	0.0	-67.50	392.02	8.05	-59.45
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013886255	0	51	0.0	-76.47	379.55	8.63	-67.84
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013886256	0	47	0.0	-72.40	356.55	5.46	-66.94
CC(C)C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CC(=O)[O-]	REAL300013886257	0	53	0.0	-68.88	397.03	7.31	-61.57
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013886258	0	45	0.0	-73.83	356.47	6.92	-66.91
COCC1(C(=O)[O-])CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1	REAL300013886259	0	49	0.0	-75.72	376.86	5.89	-69.83
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013886260	0	50	0.0	-76.07	378.15	4.30	-71.77
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)C2)C=N1	REAL300013886261	0	55	0.0	-73.56	418.29	8.60	-64.96
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013886262	0	45	0.0	-75.24	362.90	6.81	-68.43
COC(=O)C1CC2(C1)CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CC2C(=O)[O-]	REAL300013886263	0	55	0.0	-65.94	418.29	8.56	-57.38
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013886264	0	51	0.0	-81.33	372.87	8.56	-72.77
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013886265	0	53	0.0	-76.25	411.08	7.84	-68.41
COCC1(C(=O)[O-])CCCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1	REAL300013886266	0	52	0.0	-82.28	385.67	7.68	-74.60
COCCN(CCC(=O)[O-])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1	REAL300013886267	0	48	0.0	-60.03	374.42	6.82	-53.21
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C1	REAL300013886268	0	54	0.0	-80.80	412.18	8.67	-72.13
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013886269	0	51	0.0	-78.37	379.95	8.62	-69.75
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013886270	0	49	0.0	-83.53	375.26	9.23	-74.30
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)CCO1	REAL300013886271	0	56	0.0	-67.97	429.34	6.85	-61.12
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013886272	0	46	0.0	-68.05	352.06	5.97	-62.08
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013886273	0	52	0.0	-66.61	401.77	9.67	-56.94
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013886274	0	49	0.0	-73.10	382.45	7.94	-65.16
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013886275	0	52	0.0	-86.84	398.71	6.26	-80.58
COCC1(C(=O)[O-])CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1	REAL300013886276	0	52	0.0	-79.21	384.40	6.62	-72.59
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013886277	0	54	0.0	-67.79	386.33	7.46	-60.33
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013886278	0	51	0.0	-75.59	383.99	7.18	-68.41
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013886279	0	49	0.0	-75.62	373.85	7.25	-68.37
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013886280	0	49	0.0	-63.79	367.42	5.08	-58.71
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C1	REAL300013886281	0	57	0.0	-75.82	437.53	9.20	-66.62
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013886282	0	49	0.0	-67.22	368.38	8.02	-59.20
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013886283	0	45	0.0	-66.41	359.13	6.99	-59.42
COC1CC(C(=O)[O-])CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1	REAL300013886284	0	49	0.0	-62.70	372.50	6.19	-56.51
C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C1	REAL300013886285	0	54	0.0	-83.30	418.11	5.74	-77.56
CC1=CN=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=C1	REAL300013886331	1	50	0.0	-44.10	386.86	6.31	-37.79
CC(C)(C)N1N=NC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013886399	1	49	0.0	-38.83	386.52	4.04	-34.79
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2=C(Cl)C=CC=C2Cl)CC1	REAL300013886493	1	48	0.0	-36.41	403.85	8.64	-27.77
CC[C@H](NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1F	REAL300013886573	1	48	0.0	-38.38	377.95	8.59	-29.79
CO[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013886674	1	49	0.0	-36.67	367.74	5.03	-31.64
CC1(C)CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC(F)=CC=C2O1	REAL300013886736	1	53	0.0	-37.28	401.10	7.09	-30.19
NS(=O)(=O)C1=CC=C(F)C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013886807	1	47	0.0	-43.69	393.01	1.24	-42.45
CC(C)C[N@H+](C)CCCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013886842	0	50	0.0	-77.51	391.77	7.76	-69.75
CC(C)C[N@@H+](C)CCCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013886842	1	50	0.0	-77.49	391.77	7.75	-69.74
CC(C)C[N@H+](C)CCCNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013886843	0	48	0.0	-79.34	360.85	6.59	-72.75
CC(C)C[N@@H+](C)CCCNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013886843	1	48	0.0	-79.39	360.78	6.59	-72.80
CC(C)C[N@H+](C)CCCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013886844	0	53	0.0	-68.86	389.98	7.88	-60.98
CC(C)C[N@@H+](C)CCCNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013886844	1	53	0.0	-79.14	394.62	7.43	-71.71
CC(C)C[N@H+](C)CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013886845	0	50	0.0	-77.39	391.78	7.74	-69.65
CC(C)C[N@@H+](C)CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013886845	1	50	0.0	-77.14	391.98	7.73	-69.41
CC(C)C[N@H+](C)CCCNC(=O)NCCCCCC(=O)[O-]	REAL300013886846	0	52	0.0	-75.44	397.01	7.21	-68.23
CC(C)C[N@@H+](C)CCCNC(=O)NCCCCCC(=O)[O-]	REAL300013886846	1	52	0.0	-75.63	397.22	7.19	-68.44
CC(C)C[N@H+](C)CCCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013886847	0	60	0.0	-79.84	443.87	11.57	-68.27
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013886847	1	60	0.0	-80.07	443.87	11.57	-68.50
CC(C)C[N@H+](C)CCCNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013886848	0	53	0.0	-61.11	388.85	8.68	-52.43
CC(C)C[N@@H+](C)CCCNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013886848	1	53	0.0	-79.97	390.24	8.73	-71.24
CC(C)C[N@H+](C)CCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013886849	0	53	0.0	-75.97	381.32	8.42	-67.55
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013886849	1	53	0.0	-76.04	382.05	8.43	-67.61
CC(C)C[N@H+](C)CCCNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013886850	0	53	0.0	-79.14	383.53	8.56	-70.58
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013886850	1	53	0.0	-78.77	383.92	8.56	-70.21
CC(C)C[N@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013886851	0	54	0.0	-66.06	394.10	5.81	-60.25
CC(C)C[N@@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013886851	1	54	0.0	-65.98	394.30	5.79	-60.19
CC(C)C[N@H+](C)CCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013886852	0	52	0.0	-72.32	386.71	6.53	-65.79
CC(C)C[N@@H+](C)CCCNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013886852	1	52	0.0	-72.33	386.72	6.52	-65.81
CCC(CC)(CNC(=O)NCCC[N@H+](C)CC(C)C)C(=O)[O-]	REAL300013886853	0	55	0.0	-64.15	394.90	7.50	-56.65
CCC(CC)(CNC(=O)NCCC[N@@H+](C)CC(C)C)C(=O)[O-]	REAL300013886853	1	55	0.0	-64.01	394.90	7.50	-56.51
CC(C)C[N@H+](C)CCCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013886854	0	52	0.0	-65.19	383.53	6.93	-58.26
CC(C)C[N@@H+](C)CCCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013886854	1	52	0.0	-67.19	390.01	6.78	-60.41
CC(C)C[N@H+](C)CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013886855	0	59	0.0	-78.87	427.76	8.24	-70.63
CC(C)C[N@@H+](C)CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013886855	1	59	0.0	-79.31	426.64	8.22	-71.09
CC(C)C[N@H+](C)CCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013886856	0	56	0.0	-67.59	422.87	8.97	-58.62
CC(C)C[N@@H+](C)CCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013886856	1	56	0.0	-66.23	419.18	9.15	-57.08
CC(C)C[N@H+](C)CCCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013886857	0	56	0.0	-76.79	408.53	9.58	-67.21
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013886857	1	56	0.0	-75.11	408.48	9.59	-65.52
CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013886858	0	52	0.0	-75.44	386.18	6.31	-69.13
CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013886858	1	52	0.0	-75.75	386.18	6.31	-69.44
CC(C)C[N@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013886859	0	53	0.0	-66.11	392.47	7.69	-58.42
CC(C)C[N@@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013886859	1	53	0.0	-65.92	392.47	7.70	-58.22
CC(C)C[N@H+](C)CCCNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013886860	0	53	0.0	-72.29	381.08	8.86	-63.43
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013886860	1	53	0.0	-72.71	381.32	8.84	-63.87
CC(C)C[N@H+](C)CCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013886861	0	53	0.0	-75.32	399.52	7.63	-67.69
CC(C)C[N@@H+](C)CCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013886861	1	53	0.0	-76.04	399.85	7.70	-68.34
CC(C)C[N@H+](C)CCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013886862	0	53	0.0	-75.97	381.32	8.42	-67.55
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013886862	1	53	0.0	-76.04	382.05	8.43	-67.61
CC(C)C[C@H](CNC(=O)NCCC[N@H+](C)CC(C)C)CC(=O)[O-]	REAL300013886863	0	58	0.0	-68.97	425.91	8.27	-60.70
CC(C)C[C@H](CNC(=O)NCCC[N@@H+](C)CC(C)C)CC(=O)[O-]	REAL300013886863	1	58	0.0	-72.27	420.52	8.03	-64.24
CC(C)C[N@H+](C)CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013886864	0	50	0.0	-71.93	385.59	7.83	-64.10
CC(C)C[N@@H+](C)CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013886864	1	50	0.0	-71.13	385.60	7.83	-63.30
COCC1(C(=O)[O-])CCN(C(=O)NCCC[N@H+](C)CC(C)C)C1	REAL300013886865	0	54	0.0	-78.28	405.93	6.81	-71.47
COCC1(C(=O)[O-])CCN(C(=O)NCCC[N@@H+](C)CC(C)C)C1	REAL300013886865	1	54	0.0	-77.64	405.73	6.82	-70.82
CC(C)C[N@H+](C)CCCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013886866	0	55	0.0	-74.23	407.51	5.29	-68.94
CC(C)C[N@@H+](C)CCCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013886866	1	55	0.0	-76.48	407.27	5.23	-71.25
CC(C)C[N@H+](C)CCCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013886867	0	60	0.0	-76.85	445.69	9.59	-67.26
CC(C)C[N@@H+](C)CCCNC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013886867	1	60	0.0	-77.10	446.02	9.59	-67.51
CC(C)C[N@H+](C)CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013886868	0	50	0.0	-77.39	391.78	7.74	-69.65
CC(C)C[N@@H+](C)CCCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013886868	1	50	0.0	-77.14	391.98	7.73	-69.41
COC(=O)C1CC2(C1)CN(C(=O)NCCC[N@H+](C)CC(C)C)CC2C(=O)[O-]	REAL300013886869	0	60	0.0	-70.66	452.52	9.61	-61.05
COC(=O)C1CC2(C1)CN(C(=O)NCCC[N@@H+](C)CC(C)C)CC2C(=O)[O-]	REAL300013886869	1	60	0.0	-70.76	452.38	9.62	-61.14
CC(C)C[N@H+](C)CCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013886870	0	56	0.0	-81.92	401.57	9.51	-72.41
CC(C)C[N@@H+](C)CCCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013886870	1	56	0.0	-81.74	402.12	9.49	-72.25
CC(C)C[N@H+](C)CCCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013886871	0	58	0.0	-77.50	440.00	8.78	-68.72
CC(C)C[N@@H+](C)CCCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013886871	1	58	0.0	-77.50	440.01	8.78	-68.72
CC(C)C[N@H+](C)CCCNC(=O)NCCCCCCC(=O)[O-]	REAL300013886872	0	55	0.0	-78.48	418.70	7.97	-70.51
CC(C)C[N@@H+](C)CCCNC(=O)NCCCCCCC(=O)[O-]	REAL300013886872	1	55	0.0	-78.50	418.72	7.97	-70.53
CC(C)C[N@H+](C)CCCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013886873	0	53	0.0	-80.51	383.04	8.90	-71.61
CC(C)C[N@@H+](C)CCCNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013886873	1	53	0.0	-80.21	383.34	8.90	-71.31
COCC1(C(=O)[O-])CCCN(C(=O)NCCC[N@H+](C)CC(C)C)C1	REAL300013886874	0	57	0.0	-83.22	414.87	8.67	-74.55
COCC1(C(=O)[O-])CCCN(C(=O)NCCC[N@@H+](C)CC(C)C)C1	REAL300013886874	1	57	0.0	-83.27	414.87	8.66	-74.61
COCCN(CCC(=O)[O-])C(=O)NCCC[N@H+](C)CC(C)C	REAL300013886875	0	53	0.0	-59.47	403.53	7.38	-52.09
COCCN(CCC(=O)[O-])C(=O)NCCC[N@@H+](C)CC(C)C	REAL300013886875	1	53	0.0	-59.87	403.33	7.40	-52.47
CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013886876	0	59	0.0	-81.39	441.75	9.63	-71.76
CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013886876	1	59	0.0	-81.51	441.68	9.62	-71.89
CC(C)C[N@H+](C)CCCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013886877	0	56	0.0	-79.51	408.56	9.59	-69.92
CC(C)C[N@@H+](C)CCCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013886877	1	56	0.0	-79.72	409.10	9.58	-70.14
CC(C)C[N@H+](C)CCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013886878	0	54	0.0	-80.78	400.80	10.88	-69.90
CC(C)C[N@@H+](C)CCCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013886878	1	54	0.0	-80.88	401.11	10.89	-69.99
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCC[N@@H+](C)CC(C)C)CCO1	REAL300013886879	0	61	0.0	-77.10	458.08	7.86	-69.24
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCC[N@H+](C)CC(C)C)CCO1	REAL300013886879	1	61	0.0	-69.20	456.63	8.79	-60.41
CC(C)C[N@H+](C)CCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013886880	0	51	0.0	-69.52	381.02	6.89	-62.63
CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013886880	1	51	0.0	-69.41	381.02	6.90	-62.51
CC(C)C[N@H+](C)CCCNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013886881	0	53	0.0	-60.72	383.52	8.72	-52.00
CC(C)C[N@@H+](C)CCCNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013886881	1	53	0.0	-60.97	383.91	8.68	-52.29
CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013886882	0	57	0.0	-67.48	431.17	10.74	-56.74
CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013886882	1	57	0.0	-67.52	431.17	10.73	-56.79
CC(C)C[N@H+](C)CCCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013886883	0	51	0.0	-76.75	378.09	5.70	-71.05
CC(C)C[N@@H+](C)CCCNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013886883	1	51	0.0	-76.65	378.09	5.70	-70.95
CC(C)C[N@H+](C)CCCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013886884	0	54	0.0	-73.23	409.98	8.76	-64.47
CC(C)C[N@@H+](C)CCCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013886884	1	54	0.0	-73.71	412.15	8.90	-64.81
CC(C)C[N@H+](C)CCCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013886885	0	57	0.0	-85.68	420.09	7.98	-77.70
CC(C)C[N@@H+](C)CCCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013886885	1	57	0.0	-85.51	420.22	7.97	-77.54
COCC1(C(=O)[O-])CCN(C(=O)NCCC[N@H+](C)CC(C)C)CC1	REAL300013886886	0	57	0.0	-78.88	413.44	7.54	-71.34
COCC1(C(=O)[O-])CCN(C(=O)NCCC[N@@H+](C)CC(C)C)CC1	REAL300013886886	1	57	0.0	-79.27	412.93	7.54	-71.73
CC(C)C[N@H+](C)CCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013886887	0	59	0.0	-68.37	415.13	8.42	-59.95
CC(C)C[N@@H+](C)CCCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013886887	1	59	0.0	-68.50	415.12	8.43	-60.07
CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013886888	0	53	0.0	-68.87	389.98	7.88	-60.99
CC(C)C[N@@H+](C)CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013886888	1	53	0.0	-68.92	388.65	7.83	-61.09
CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013886889	0	56	0.0	-76.61	412.83	8.12	-68.49
CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013886889	1	56	0.0	-77.27	414.15	8.15	-69.12
CC(C)C[N@H+](C)CCCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013886890	0	53	0.0	-76.62	385.82	8.79	-67.83
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013886890	1	53	0.0	-68.73	386.17	8.81	-59.92
CC(C)C[N@H+](C)CCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013886891	0	54	0.0	-76.88	402.76	8.21	-68.67
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013886891	1	54	0.0	-77.65	402.71	8.22	-69.43
CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013886892	0	53	0.0	-73.13	394.40	7.45	-65.68
CC(C)C[N@@H+](C)CCCNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013886892	1	53	0.0	-73.00	394.41	7.45	-65.55
CC(C)C[N@H+](C)CCCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013886893	0	53	0.0	-70.31	390.18	7.85	-62.46
CC(C)C[N@@H+](C)CCCNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013886893	1	53	0.0	-70.50	390.18	7.85	-62.65
CC(C)C[N@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013886894	0	54	0.0	-64.37	396.34	6.00	-58.37
CC(C)C[N@@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013886894	1	54	0.0	-69.25	399.22	6.28	-62.97
CC(C)C[N@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013886895	0	51	0.0	-65.15	381.35	4.96	-60.19
CC(C)C[N@@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013886895	1	51	0.0	-65.37	381.16	4.98	-60.39
CC(C)C[N@H+](C)CCCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013886896	0	62	0.0	-77.08	467.24	10.13	-66.95
CC(C)C[N@@H+](C)CCCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013886896	1	62	0.0	-77.16	467.25	10.11	-67.05
CC(C)C[N@H+](C)CCCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013886897	0	54	0.0	-66.49	396.47	8.89	-57.60
CC(C)C[N@@H+](C)CCCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013886897	1	54	0.0	-66.41	396.27	8.91	-57.50
CC(C)C[N@H+](C)CCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013886898	0	50	0.0	-69.58	388.14	7.97	-61.61
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013886898	1	50	0.0	-69.65	387.95	7.98	-61.67
CC(C)C[N@H+](C)CCCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013886899	0	51	0.0	-80.40	376.31	7.37	-73.03
CC(C)C[N@@H+](C)CCCNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013886899	1	51	0.0	-80.27	376.37	7.38	-72.89
COC1CC(C(=O)[O-])CN(C(=O)NCCC[N@H+](C)CC(C)C)C1	REAL300013886900	0	54	0.0	-63.17	399.67	7.21	-55.96
COC1CC(C(=O)[O-])CN(C(=O)NCCC[N@@H+](C)CC(C)C)C1	REAL300013886900	1	54	0.0	-62.78	399.16	7.21	-55.57
CC(C)C[N@H+](C)CCCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013886901	0	59	0.0	-85.81	446.64	6.70	-79.11
CC(C)C[N@@H+](C)CCCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013886901	1	59	0.0	-85.85	447.03	6.69	-79.16
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=C3SC=CC3=CC=C2)CC1	REAL300013886933	1	45	0.0	-37.09	369.39	7.60	-29.49
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3=CC=CC=C3F)CCC2)CC1	REAL300013887009	1	52	0.0	-43.17	399.20	8.65	-34.52
O=C([O-])C[NH+]1CCC(NC(=O)NCCN2CCCC2=O)CC1	REAL300013887115	1	46	0.0	-47.06	359.29	4.36	-42.70
CCN1CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1=O	REAL300013887161	1	49	0.0	-44.35	379.25	5.07	-39.28
CC(CNC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013887197	0	48	0.0	-82.72	378.67	7.55	-75.17
CC(=O)N1CCN(C2=CC(CNC(=O)NCC(C)C(=O)[O-])=CC=[NH+]2)CC1	REAL300013887201	1	51	0.0	-77.58	400.99	4.24	-73.34
CC(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC=C1F)C(=O)[O-]	REAL300013887215	0	47	0.0	-72.24	371.84	8.95	-63.29
CCCC[N@H+](C)CC1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013887220	0	53	0.0	-80.38	388.00	9.00	-71.38
CCCC[N@@H+](C)CC1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013887220	1	53	0.0	-79.26	387.93	8.99	-70.27
CC(CNC(=O)N(CC[NH+](C)C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013887224	0	47	0.0	-83.57	376.79	9.16	-74.41
CC1=CC=C(CN(CC[NH+](C)C)C(=O)NCC(C)C(=O)[O-])O1	REAL300013887225	0	47	0.0	-77.47	374.04	8.05	-69.42
CC[NH+](CC)C(CNC(=O)NCC(C)C(=O)[O-])C1=CC=CO1	REAL300013887229	0	47	0.0	-69.56	353.16	5.88	-63.68
CC(CNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013887231	1	42	0.0	-77.97	343.29	5.82	-72.15
CC(CNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013887231	1	42	0.0	-78.00	343.32	5.82	-72.18
CC(CNC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013887250	0	53	0.0	-67.68	374.69	6.92	-60.76
CC(CNC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300013887253	0	48	0.0	-73.68	372.46	7.61	-66.07
CC(CNC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300013887253	1	48	0.0	-74.25	373.13	7.61	-66.64
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC(C)C(=O)[O-])CC2)CC1	REAL300013887271	1	58	0.0	-82.21	422.62	8.18	-74.03
CC(CNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C(Cl)=C2)CC1)C(=O)[O-]	REAL300013887274	1	48	0.0	-83.18	403.58	8.49	-74.69
CC(CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)[O-]	REAL300013887285	0	51	0.0	-82.95	391.06	4.87	-78.08
CC(CNC(=O)NCCCC[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013887289	0	60	0.0	-78.47	455.49	10.33	-68.14
CC(CNC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)C(=O)[O-]	REAL300013887291	0	55	0.0	-72.97	392.36	4.78	-68.19
CC(CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013887306	0	54	0.0	-75.68	383.07	9.97	-65.71
CC(CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013887306	1	54	0.0	-75.30	383.22	9.96	-65.34
CC(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013887336	0	51	0.0	-78.88	391.55	8.20	-70.68
CC(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013887337	1	53	0.0	-79.65	423.75	7.24	-72.41
CC(CNC(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300013887338	1	52	0.0	-77.20	407.32	6.52	-70.68
CC(CNC(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300013887338	1	52	0.0	-77.40	406.45	6.51	-70.89
CC(CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013887343	0	54	0.0	-74.63	395.09	7.99	-66.64
CC(CNC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300013887357	0	48	0.0	-69.52	381.16	6.12	-63.40
CC(CNC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300013887360	0	48	0.0	-74.83	374.19	6.88	-67.95
CC(CNC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300013887360	1	48	0.0	-74.50	376.31	7.34	-67.16
CC(CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300013887361	0	48	0.0	-77.87	381.93	7.30	-70.57
COC1=CC=C(C[NH+]2CCC(CNC(=O)NCC(C)C(=O)[O-])CC2)C=C1	REAL300013887362	0	55	0.0	-82.26	421.05	7.51	-74.75
CC(CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(=O)[O-]	REAL300013887369	1	48	0.0	-75.32	367.50	4.25	-71.07
CC(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013887370	0	51	0.0	-73.71	398.66	8.24	-65.47
CC(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013887370	1	51	0.0	-75.66	397.72	8.24	-67.42
CC(CNC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013887382	0	47	0.0	-74.13	359.38	6.90	-67.23
CC(CNC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013887382	1	47	0.0	-74.78	359.86	6.89	-67.89
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NCC(C)C(=O)[O-])C1	REAL300013887386	0	53	0.0	-67.93	378.32	6.94	-60.99
CCC1CCC[N@H+](C(C)(C)CNC(=O)NCC(C)C(=O)[O-])C1	REAL300013887386	1	53	0.0	-68.32	371.76	6.95	-61.37
CCC1=NC(C[NH+]2CCC(CNC(=O)NCC(C)C(=O)[O-])CC2)=CS1	REAL300013887394	1	53	0.0	-76.38	420.50	7.02	-69.36
CC(CNC(=O)NCC1=CC=CC(NC(=O)CC[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300013887405	1	56	0.0	-84.25	442.41	4.85	-79.40
COC1=CC=CC=C1C(CNC(=O)NCC(C)C(=O)[O-])[NH+]1CCCCC1	REAL300013887406	0	55	0.0	-67.33	409.25	8.40	-58.93
CC(CNC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013887407	0	44	0.0	-77.25	346.41	7.27	-69.98
CC(CNC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300013887415	1	48	0.0	-86.25	385.25	7.66	-78.59
CC[NH+](CC)C(CNC(=O)NCC(C)C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300013887441	0	53	0.0	-74.94	406.83	8.38	-66.56
CC(CNC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013887454	0	49	0.0	-69.24	387.20	5.03	-64.21
CC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013887456	0	51	0.0	-69.95	392.20	8.13	-61.82
CC[NH+]1CCN(C2=CC(CNC(=O)NCC(C)C(=O)[O-])=CC=N2)CC1	REAL300013887466	0	52	0.0	-74.42	402.54	5.58	-68.84
CC(CNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300013887469	0	54	0.0	-77.64	404.14	8.35	-69.29
CC(CNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300013887470	0	54	0.0	-74.71	402.78	8.36	-66.35
CC(CNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013887478	0	52	0.0	-75.70	408.38	7.20	-68.50
CC(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C)C(=O)[O-]	REAL300013887481	1	48	0.0	-76.42	364.49	9.06	-67.36
CC(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C)C(=O)[O-]	REAL300013887481	1	48	0.0	-76.98	360.97	8.77	-68.21
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCC(C)C(=O)[O-])CC2)=N1	REAL300013887490	1	53	0.0	-80.27	412.52	4.76	-75.51
CC(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013887495	0	54	0.0	-70.07	404.35	9.65	-60.42
CC(CNC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300013887511	0	57	0.0	-69.28	417.71	10.05	-59.23
CC(CNC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300013887511	1	57	0.0	-69.27	422.96	9.60	-59.67
CC(CNC(=O)N1CC[NH+](CCC2=CC=CS2)CC1)C(=O)[O-]	REAL300013887525	1	45	0.0	-79.64	359.19	8.21	-71.43
COC1=CC=C(N2CC[NH+](CCNC(=O)NCC(C)C(=O)[O-])CC2)C=C1	REAL300013887532	1	54	0.0	-79.54	412.86	4.77	-74.77
CC(CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013887537	0	53	0.0	-74.93	384.39	4.22	-70.71
CC(CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300013887567	0	52	0.0	-72.09	373.48	7.01	-65.08
CC(CNC(=O)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1)C(=O)[O-]	REAL300013887569	0	62	0.0	-80.58	426.88	10.77	-69.81
CC(CNC(=O)NC1CCCN(C2=CC(N3CCOCC3)=NC=[NH+]2)C1)C(=O)[O-]	REAL300013887577	0	56	0.0	-73.65	429.29	4.20	-69.45
CC(CNC(=O)NC1CCCN(C2=CC(N3CCOCC3)=[NH+]C=N2)C1)C(=O)[O-]	REAL300013887577	1	56	0.0	-75.20	425.38	4.54	-70.66
CC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300013887579	0	54	0.0	-65.81	394.97	9.24	-56.57
CC(CNC(=O)N(CC[NH+](C)C)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300013887581	0	47	0.0	-82.95	392.56	9.74	-73.21
CC(CNC(=O)N(CC[NH+](C)C)CC1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300013887618	0	50	0.0	-83.86	409.12	10.10	-73.76
CC(CNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013887622	1	52	0.0	-75.59	400.75	2.69	-72.90
CC(CNC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013887646	0	50	0.0	-83.50	389.97	6.64	-76.86
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCC(C)C(=O)[O-]	REAL300013887655	0	53	0.0	-72.37	385.54	8.42	-63.95
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCC(C)C(=O)[O-]	REAL300013887655	1	53	0.0	-63.60	391.69	9.38	-54.22
CC(CNC(=O)N(CCC[NH+]1CCOCC1)CC1=CC=NC=C1)C(=O)[O-]	REAL300013887669	1	54	0.0	-79.49	417.88	7.66	-71.83
CC(CNC(=O)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1)C(=O)[O-]	REAL300013887672	0	49	0.0	-79.57	371.20	9.43	-70.14
CC(CNC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300013887679	0	50	0.0	-73.06	376.81	6.38	-66.68
CC(CNC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300013887680	0	54	0.0	-74.32	401.65	7.40	-66.92
CCC(CC)(CNC(=O)NCC(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013887681	0	56	0.0	-72.12	405.76	7.50	-64.62
CC(CNC(=O)N(C)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013887685	0	51	0.0	-76.39	385.55	9.59	-66.80
CC(CNC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013887692	0	53	0.0	-74.80	412.40	7.14	-67.66
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)NCC(C)C(=O)[O-])CC1	REAL300013887693	0	56	0.0	-73.55	430.14	7.81	-65.74
CC(CNC(=O)N1CCC[N@H+](CCCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013887695	0	54	0.0	-78.48	405.36	11.15	-67.33
CC(CNC(=O)N1CCC[N@@H+](CCCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013887695	1	54	0.0	-79.68	406.17	11.21	-68.47
CC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+]2CCCC2)O1	REAL300013887735	0	48	0.0	-70.53	369.77	6.46	-64.07
COCCC[NH+]1CCC(NC(=O)NCC(C)C(=O)[O-])CC1	REAL300013887762	0	48	0.0	-75.40	367.97	4.43	-70.97
CC(CNC(=O)N(C)C1CC[NH+](CCC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013887765	0	53	0.0	-78.75	402.25	8.67	-70.08
CC(CNC(=O)N(C)C1CC[NH+](CCC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013887766	0	53	0.0	-84.73	402.50	8.65	-76.08
CC(CNC(=O)N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013887782	0	54	0.0	-81.20	403.05	10.39	-70.81
CC(CNC(=O)N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013887782	1	54	0.0	-82.06	403.03	10.37	-71.69
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCC(C)C(=O)[O-]	REAL300013887792	0	50	0.0	-75.29	385.98	9.50	-65.79
CC(CNC(=O)NCC1=CC=CC(C(=O)NCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013887793	0	51	0.0	-86.24	409.90	4.80	-81.44
CC(CNC(=O)NC(CN1CC[NH+](C)CC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013887812	0	53	0.0	-73.98	411.07	6.55	-67.43
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)NCC(C)C(=O)[O-])=C1	REAL300013887818	0	55	0.0	-77.23	433.41	5.91	-71.32
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)NCC(C)C(=O)[O-])=C1	REAL300013887818	1	55	0.0	-76.93	432.53	5.90	-71.03
CC(CNC(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300013887822	0	54	0.0	-76.86	415.64	8.80	-68.06
CC(CNC(=O)NCC1=CC=CC(OCC[N@H+](C)C2CCOCC2)=C1)C(=O)[O-]	REAL300013887823	0	59	0.0	-78.48	448.54	6.95	-71.53
CC(CNC(=O)NCC1=CC=CC(OCC[N@@H+](C)C2CCOCC2)=C1)C(=O)[O-]	REAL300013887823	1	59	0.0	-79.44	449.55	6.71	-72.73
CC(CNC(=O)NCC1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300013887826	0	53	0.0	-73.48	410.97	5.73	-67.75
CC(CNC(=O)NCC1=CC=CC(C[NH+]2CCN(C)CC2)=C1)C(=O)[O-]	REAL300013887826	1	53	0.0	-76.00	410.42	5.60	-70.40
CC(CNC(=O)N1CCCC(C[NH+]2CCC(C)CC2)C1)C(=O)[O-]	REAL300013887844	0	54	0.0	-70.01	390.85	9.29	-60.72
CC(CNC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013887849	0	51	0.0	-71.93	376.85	7.76	-64.17
CC(CNC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013887849	1	51	0.0	-70.97	377.49	7.88	-63.09
CC(CNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C(=O)[O-]	REAL300013887861	1	48	0.0	-82.17	385.04	6.60	-75.57
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)NCC(C)C(=O)[O-]	REAL300013887863	0	53	0.0	-67.70	387.78	9.74	-57.96
CC(CNC(=O)N(CCCC1=CC=CC=C1)CC[NH+](C)C)C(=O)[O-]	REAL300013887869	0	53	0.0	-80.95	411.22	10.54	-70.41
CC(CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013887879	0	49	0.0	-81.17	368.12	6.36	-74.81
CC(CNC(=O)NCC1=CC=C(OCCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013887882	0	51	0.0	-78.58	404.80	6.73	-71.85
COC1=C(C)C=NC(C[NH+]2CCC(N(C)C(=O)NCC(C)C(=O)[O-])CC2)=C1C	REAL300013887884	0	60	0.0	-74.95	440.49	8.04	-66.91
COC1=C(C)C=[NH+]C(CN2CCC(N(C)C(=O)NCC(C)C(=O)[O-])CC2)=C1C	REAL300013887884	1	60	0.0	-71.55	452.22	7.37	-64.18
CC(CNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013887885	0	51	0.0	-79.94	399.18	8.27	-71.67
CC(CNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013887885	1	51	0.0	-78.19	399.43	8.28	-69.91
CC(CNC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013887910	0	48	0.0	-73.86	363.36	7.36	-66.50
CC(CNC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013887910	1	48	0.0	-74.03	363.11	7.34	-66.69
CC(CNC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013887911	1	45	0.0	-74.48	354.88	6.49	-67.99
CC(CNC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013887911	1	45	0.0	-75.50	354.23	6.41	-69.09
CC(CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013887925	0	51	0.0	-76.06	369.00	8.68	-67.38
CC(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013887926	0	47	0.0	-76.89	381.40	9.38	-67.51
CC(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300013887927	0	50	0.0	-76.45	403.73	9.90	-66.55
CC(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300013887928	0	47	0.0	-77.11	371.05	8.95	-68.16
CC(CNC(=O)N(CC[NH+](C)C)CC1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300013887929	0	47	0.0	-83.36	384.04	9.24	-74.12
CC(CNC(=O)N(CC[NH+](C)C)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300013887930	0	47	0.0	-89.01	377.87	9.21	-79.80
CC(CNC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013887936	0	50	0.0	-72.32	388.74	6.06	-66.26
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013887941	0	51	0.0	-80.33	379.71	6.58	-73.75
CC(CNC(=O)NCC1=CC=C[NH+]=C1N1CCC(C(N)=O)CC1)C(=O)[O-]	REAL300013887951	1	51	0.0	-87.48	405.34	2.30	-85.18
CC(CNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300013887953	0	54	0.0	-81.42	420.39	6.65	-74.77
CC(CNC(=O)N1CCN(CC[N@H+](C)CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013887958	0	56	0.0	-80.73	420.71	7.98	-72.75
CC(CNC(=O)N1CCN(CC[N@@H+](C)CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013887958	1	56	0.0	-80.88	420.65	7.98	-72.90
CC(CNC(=O)NCCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013887959	0	51	0.0	-75.48	404.61	6.87	-68.61
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCC(C)C(=O)[O-])=C1	REAL300013887986	0	47	0.0	-76.29	370.96	6.98	-69.31
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCC(C)C(=O)[O-])=C1	REAL300013887986	1	47	0.0	-76.33	370.95	6.97	-69.36
COC1=CC=[NH+]C(N2CCN(C(=O)NCC(C)C(=O)[O-])CC2)=C1	REAL300013887992	0	45	0.0	-70.08	349.39	4.84	-65.24
CC(CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C(=O)[O-]	REAL300013888000	0	52	0.0	-70.41	383.47	5.63	-64.78
CC(CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C(=O)[O-]	REAL300013888000	1	52	0.0	-70.17	382.94	5.60	-64.57
CC(CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013888000	1	52	0.0	-76.67	383.80	5.72	-70.95
CC(CNC(=O)N(CCC[NH+](C)C)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300013888002	0	50	0.0	-79.45	423.88	10.84	-68.61
CC(CNC(=O)N1CCCC1C[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013888003	1	52	0.0	-66.63	380.93	6.82	-59.81
CC(CNC(=O)N1CCN(CC[NH+]2C(C)CCC2C)CC1)C(=O)[O-]	REAL300013888006	0	56	0.0	-73.87	399.54	6.29	-67.58
CC(CNC(=O)N(C)CC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013888008	0	47	0.0	-75.41	369.02	8.71	-66.70
CC(CNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300013888010	0	52	0.0	-80.99	404.99	4.82	-76.17
CC[NH+](CC)CCN(CCOC)C(=O)NCC(C)C(=O)[O-]	REAL300013888011	0	50	0.0	-65.22	379.37	6.64	-58.58
CC(CNC(=O)N1CCCC(C[NH+]2CCN(C3=CC=CC=N3)CC2)C1)C(=O)[O-]	REAL300013888054	0	59	0.0	-73.45	435.75	8.99	-64.46
CC(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300013888077	0	49	0.0	-70.03	349.77	4.22	-65.81
CC(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013888079	0	51	0.0	-72.40	375.58	9.28	-63.12
CC(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013888079	1	51	0.0	-71.96	375.49	9.27	-62.69
CCCN(C(=O)NCC(C)C(=O)[O-])C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013888147	0	57	0.0	-64.08	404.77	11.29	-52.79
CCCN(C(=O)NCC(C)C(=O)[O-])C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013888147	1	57	0.0	-64.14	405.68	11.30	-52.84
CC[NH+]1CCN(C2CCN(C(=O)NCC(C)C(=O)[O-])C2)CC1	REAL300013888172	0	50	0.0	-75.54	371.92	5.15	-70.39
CC(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013888177	0	51	0.0	-76.73	405.10	8.65	-68.08
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=C2F)CC1	REAL300013888178	0	53	0.0	-78.22	414.77	6.49	-71.73
CC(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC=N1)C(=O)[O-]	REAL300013888183	0	46	0.0	-86.88	362.45	7.09	-79.79
CC(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013888185	0	53	0.0	-82.17	421.56	6.79	-75.38
CC(CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300013888206	1	49	0.0	-78.11	386.12	5.77	-72.34
CC(CNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013888211	0	47	0.0	-82.10	366.70	5.78	-76.32
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=C1OC	REAL300013888212	0	58	0.0	-75.10	447.54	7.32	-67.78
CC(CNC(=O)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013888224	0	59	0.0	-77.76	449.80	7.26	-70.50
CC(CNC(=O)NCCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013888224	1	59	0.0	-76.69	449.78	7.22	-69.47
CC(CNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013888232	0	56	0.0	-79.80	425.46	7.03	-72.77
CC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013888248	0	47	0.0	-72.97	362.94	7.99	-64.98
CC(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013888262	0	51	0.0	-70.63	376.48	7.75	-62.88
CC(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013888262	1	51	0.0	-71.62	385.56	8.44	-63.18
CC(CNC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013888264	0	51	0.0	-74.53	384.67	8.16	-66.37
CC(CNC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013888264	1	51	0.0	-75.92	392.41	8.21	-67.71
COC1CC[NH+](C(C)(C)CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013888265	0	51	0.0	-71.24	370.55	4.70	-66.54
COC1CC[NH+](C2(CNC(=O)NCC(C)C(=O)[O-])CCCC2)CC1	REAL300013888266	0	55	0.0	-70.70	392.35	5.70	-65.00
COCC[NH+]1CCC(CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013888270	0	48	0.0	-75.43	365.30	4.48	-70.95
CC(CNC(=O)NCC1=CC=CC(C[N@@H+]2CCCC(C(N)=O)C2)=C1)C(=O)[O-]	REAL300013888271	0	55	0.0	-74.54	424.46	5.00	-69.54
CC(CNC(=O)NCC1=CC=CC(C[N@H+]2CCCC(C(N)=O)C2)=C1)C(=O)[O-]	REAL300013888271	1	55	0.0	-80.06	429.91	4.78	-75.28
CC(CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013888285	0	58	0.0	-70.19	399.42	6.16	-64.03
CC(CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013888285	1	58	0.0	-70.43	400.38	6.21	-64.22
CC(CNC(=O)NCC1([N@H+](C)CC2=CC=CC=C2)CCC1)C(=O)[O-]	REAL300013888304	0	51	0.0	-69.41	382.38	8.16	-61.25
CC(CNC(=O)NCC1([N@@H+](C)CC2=CC=CC=C2)CCC1)C(=O)[O-]	REAL300013888304	1	51	0.0	-71.70	383.22	7.71	-63.99
CC(CNC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013888317	0	49	0.0	-78.67	368.54	4.69	-73.98
CC(CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)C(=O)[O-]	REAL300013888323	0	49	0.0	-79.81	359.98	6.27	-73.54
CC(CNC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013888326	0	49	0.0	-75.63	374.01	3.58	-72.05
CC(CNC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013888326	1	49	0.0	-74.52	373.52	3.69	-70.83
CC(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013888335	1	48	0.0	-75.95	364.33	9.09	-66.86
CC(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013888335	1	48	0.0	-76.16	361.96	8.85	-67.31
CC(CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013888351	0	55	0.0	-71.21	387.96	5.88	-65.33
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCC(C)C(=O)[O-]	REAL300013888370	0	49	0.0	-68.91	387.62	8.63	-60.28
CC(CNC(=O)N(CC[NH+](C)C)CC1=CC=CS1)C(=O)[O-]	REAL300013888371	0	44	0.0	-70.70	359.11	8.26	-62.44
CC(CNC(=O)N1CC[N@H+](CC(C)(C)O)CC1C)C(=O)[O-]	REAL300013888407	0	48	0.0	-76.65	350.45	4.53	-72.12
CC(CNC(=O)N1CC[N@@H+](CC(C)(C)O)CC1C)C(=O)[O-]	REAL300013888407	1	48	0.0	-74.65	352.03	4.79	-69.86
CC(CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013888432	0	49	0.0	-70.79	360.33	6.24	-64.55
CC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013888433	0	54	0.0	-77.41	401.84	9.24	-68.17
CC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013888433	1	54	0.0	-74.88	402.28	8.91	-65.97
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)NCC(C)C(=O)[O-])CC2)C=C1	REAL300013888447	0	55	0.0	-82.32	427.75	6.35	-75.97
CC(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1)C(=O)[O-]	REAL300013888459	0	51	0.0	-75.53	381.71	10.07	-65.46
CC(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1)C(=O)[O-]	REAL300013888459	1	51	0.0	-72.34	379.00	9.63	-62.71
CC(CNC(=O)N(CC[NH+](C)C)CC1CCCCC1)C(=O)[O-]	REAL300013888461	0	53	0.0	-78.76	391.17	9.10	-69.66
CC(CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013888469	0	49	0.0	-77.66	350.29	6.40	-71.26
CC(CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013888469	1	49	0.0	-78.20	349.91	6.41	-71.79
CC(CNC(=O)N(C)C1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013888470	0	54	0.0	-70.90	391.37	9.95	-60.95
CC(CNC(=O)N(C)C1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013888470	1	54	0.0	-75.15	395.40	9.75	-65.40
CC(CNC(=O)N(C)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013888478	1	53	0.0	-71.81	399.31	7.82	-63.99
CC(CNC(=O)N1CCN(C2=CC=CC=C2OCC[NH+](C)C)CC1)C(=O)[O-]	REAL300013888481	0	57	0.0	-76.17	427.79	7.74	-68.43
CC(C)C1CCC([NH+]2CCN(C(=O)NCC(C)C(=O)[O-])CC2)CC1	REAL300013888485	0	57	0.0	-75.24	402.55	9.42	-65.82
CC(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C2(CCCCC2)C1)C(=O)[O-]	REAL300013888504	0	58	0.0	-71.38	411.97	10.96	-60.42
CC(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C2(CCCCC2)C1)C(=O)[O-]	REAL300013888504	1	58	0.0	-71.98	411.93	10.98	-61.00
CC(CNC(=O)N(C)CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013888521	0	53	0.0	-74.56	400.59	7.35	-67.21
CC[N@H+](CCC1CCN(C(=O)NCC(C)C(=O)[O-])CC1)CC1CC1	REAL300013888531	0	57	0.0	-78.01	416.44	10.27	-67.74
CC[N@@H+](CCC1CCN(C(=O)NCC(C)C(=O)[O-])CC1)CC1CC1	REAL300013888531	1	57	0.0	-77.58	416.58	10.28	-67.30
CC(CNC(=O)N1CC[N@H+](CC(C)(C)O)C(C)C1)C(=O)[O-]	REAL300013888544	0	48	0.0	-71.90	351.01	3.92	-67.98
CC(CNC(=O)N1CC[N@@H+](CC(C)(C)O)C(C)C1)C(=O)[O-]	REAL300013888544	1	48	0.0	-71.86	347.17	4.60	-67.26
CC(CNC(=O)NC(C[NH+](C)C)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300013888571	0	44	0.0	-63.94	357.99	7.19	-56.75
CC(CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013888592	0	52	0.0	-80.65	381.80	6.85	-73.80
CC(CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)[O-]	REAL300013888601	0	56	0.0	-67.80	367.38	8.24	-59.56
CC(CNC(=O)N1CCN(C2=CC(N3CCOCC3)=NC=[NH+]2)CC1)C(=O)[O-]	REAL300013888610	0	53	0.0	-72.27	401.15	5.31	-66.96
CC(CNC(=O)N1CCN(C2=CC(N3CCOCC3)=[NH+]C=N2)CC1)C(=O)[O-]	REAL300013888610	1	53	0.0	-74.34	401.92	5.35	-68.99
CC(CNC(=O)NCCC[N@@H+]1CCCC1C(=O)N(C)C)C(=O)[O-]	REAL300013888625	0	51	0.0	-80.96	388.57	4.32	-76.64
CC(CNC(=O)NCCC[N@H+]1CCCC1C(=O)N(C)C)C(=O)[O-]	REAL300013888625	1	51	0.0	-76.22	392.95	4.71	-71.51
CC(CNC(=O)N1CCC([N@H+](C)CCCO)CC1)C(=O)[O-]	REAL300013888626	0	48	0.0	-79.37	354.73	3.90	-75.47
CC(CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)C(=O)[O-]	REAL300013888626	1	48	0.0	-79.60	355.62	3.91	-75.69
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NCC(C)C(=O)[O-])C2)=C1	REAL300013888640	1	53	0.0	-79.30	415.01	5.50	-73.80
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NCC(C)C(=O)[O-])C2)=C1	REAL300013888640	1	53	0.0	-79.26	415.12	5.53	-73.73
CC(CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013888676	0	47	0.0	-75.68	363.89	4.45	-71.23
CC[N@H+](CCC1CCN(C(=O)NCC(C)C(=O)[O-])CC1)CC(C)C	REAL300013888684	0	59	0.0	-77.50	422.26	10.18	-67.32
CC[N@@H+](CCC1CCN(C(=O)NCC(C)C(=O)[O-])CC1)CC(C)C	REAL300013888684	1	59	0.0	-76.69	423.62	10.19	-66.50
COC(=O)CC[N@@H+]1CCN(C(=O)NCC(C)C(=O)[O-])C(C)C1	REAL300013888692	1	47	0.0	-83.12	360.28	6.88	-76.24
COC(=O)CC[N@H+]1CCN(C(=O)NCC(C)C(=O)[O-])C(C)C1	REAL300013888692	1	47	0.0	-83.63	361.19	6.91	-76.72
CC(CNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013888693	0	55	0.0	-75.81	427.28	8.16	-67.65
CC(CNC(=O)NCCC1=CC=C(OCC[NH+]2CC(C)C(C)C2)C=C1)C(=O)[O-]	REAL300013888696	0	61	0.0	-75.74	464.36	9.02	-66.72
CC(CNC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013888709	0	47	0.0	-78.93	374.83	7.15	-71.78
CC(CNC(=O)N1CCC([NH2+]C2CCS(=O)(=O)C2)CC1)C(=O)[O-]	REAL300013888715	0	48	0.0	-101.68	371.21	2.43	-99.25
CC(CNC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013888737	0	52	0.0	-79.66	403.73	7.01	-72.65
CC(CNC(=O)N1CC[N@H+](C)C(CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013888742	1	48	0.0	-82.80	364.83	8.72	-74.08
CC(CNC(=O)N1CC[N@@H+](C)C(CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013888742	1	48	0.0	-75.47	356.45	8.47	-67.00
COC1=CC=C(C(C[NH+](C)C)NC(=O)NCC(C)C(=O)[O-])C=C1	REAL300013888746	0	48	0.0	-71.77	379.11	6.58	-65.19
CC[NH+]1CCN(CC(C)(C)NC(=O)NCC(C)C(=O)[O-])CC1	REAL300013888756	0	52	0.0	-75.05	376.40	5.55	-69.50
CCN1CC[NH+](CC(C)(C)NC(=O)NCC(C)C(=O)[O-])CC1	REAL300013888756	1	52	0.0	-74.51	371.60	5.01	-69.50
CC(CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)C(=O)[O-]	REAL300013888770	0	47	0.0	-82.36	366.28	7.80	-74.56
CC(CNC(=O)N1CCC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013888781	0	51	0.0	-72.13	374.17	9.41	-62.72
CC(CNC(=O)N1CCC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013888781	1	51	0.0	-71.61	374.54	9.99	-61.62
CC(CNC(=O)NCC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013888783	0	49	0.0	-75.57	384.54	4.28	-71.29
CC(CNC(=O)NCC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013888783	1	49	0.0	-75.42	385.56	4.49	-70.93
CC(CNC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300013888786	1	52	0.0	-75.47	402.33	7.12	-68.35
CC(CNC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300013888786	1	52	0.0	-75.84	392.93	6.60	-69.24
CC(CNC(=O)N(CC[NH+](C)C)CC1CCCO1)C(=O)[O-]	REAL300013888799	0	48	0.0	-73.98	366.06	6.86	-67.12
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC(C)C(=O)[O-]	REAL300013888802	1	53	0.0	-78.15	401.71	6.63	-71.52
CC(CNC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013888824	0	48	0.0	-74.06	375.15	7.42	-66.64
CC(CNC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013888824	1	48	0.0	-73.84	369.01	7.07	-66.77
CC(C)CC(CNC(=O)NCC(C)C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013888827	0	56	0.0	-76.95	420.22	7.76	-69.19
CCCC1CN(C(=O)NCC(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013888836	0	54	0.0	-74.40	403.34	10.10	-64.30
CCCC1CN(C(=O)NCC(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013888836	1	54	0.0	-77.76	396.14	10.28	-67.48
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)C(=O)[O-]	REAL300013888837	0	47	0.0	-76.43	369.22	7.59	-68.84
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)C(=O)[O-]	REAL300013888837	1	47	0.0	-77.27	369.08	7.56	-69.71
CC(CNC(=O)NC(C)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013888862	0	47	0.0	-70.43	353.18	6.99	-63.44
CC1=CC=CC=C1C(C(C)NC(=O)NCC(C)C(=O)[O-])[NH+](C)C	REAL300013888863	0	50	0.0	-70.26	366.76	7.86	-62.40
CCC[N@H+](C)C(CNC(=O)NCC(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013888866	0	50	0.0	-75.24	391.16	7.76	-67.48
CCC[N@@H+](C)C(CNC(=O)NCC(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013888866	1	50	0.0	-74.70	391.46	7.81	-66.89
CC(CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300013888889	1	50	0.0	-74.93	353.11	3.30	-71.63
CC(CNC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013888906	1	51	0.0	-73.88	404.06	8.18	-65.70
CC(CNC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013888906	1	51	0.0	-72.45	404.91	8.31	-64.14
CC(CNC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300013888909	0	48	0.0	-71.13	359.56	6.88	-64.25
CC(CNC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300013888980	0	52	0.0	-70.35	379.94	3.92	-66.43
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCC(C)C(=O)[O-])=C1	REAL300013889017	0	51	0.0	-78.03	395.07	8.19	-69.84
CCC(C)[NH2+]C(CNC(=O)NCC(C)C(=O)[O-])C1=CC=CO1	REAL300013889042	0	47	0.0	-72.40	369.91	4.89	-67.51
CC(CNC(=O)N(C)CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013889046	0	56	0.0	-72.99	423.90	7.89	-65.10
CC(CNC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300013889059	0	55	0.0	-83.22	438.00	10.22	-73.00
CC(CNC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300013889059	1	55	0.0	-83.71	440.80	10.41	-73.30
CC(CNC(=O)N(CC[NH+](C)C)CC1=CSC=C1)C(=O)[O-]	REAL300013889061	0	44	0.0	-73.34	358.32	8.09	-65.25
CC(CNC(=O)NCC1=CC=CC=C1OCCC[N@H+](C)C1CCCC1)C(=O)[O-]	REAL300013889098	0	61	0.0	-72.95	463.80	9.34	-63.61
CC(CNC(=O)NCC1=CC=CC=C1OCCC[N@@H+](C)C1CCCC1)C(=O)[O-]	REAL300013889098	1	61	0.0	-73.03	463.81	9.34	-63.69
CC(CNC(=O)NCC(C)C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013889109	0	49	0.0	-71.37	367.90	3.57	-67.80
CC(CNC(=O)NCC(C)C(=O)[O-])CN1CC[NH+](C)CC1	REAL300013889109	1	49	0.0	-75.41	371.40	3.99	-71.42
CCN1CC[NH+](CC(C)CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013889110	0	52	0.0	-71.35	386.04	4.38	-66.97
CC[NH+]1CCN(CC(C)CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013889110	1	52	0.0	-74.13	389.13	4.67	-69.46
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC(C)C(=O)[O-])=C1	REAL300013889111	0	56	0.0	-74.08	430.96	9.20	-64.88
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC(C)C(=O)[O-])=C1	REAL300013889111	1	56	0.0	-74.41	431.24	9.19	-65.22
CC(C)[NH+]1CCC(O)(CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013889122	0	48	0.0	-73.89	357.33	2.92	-70.97
CC(CNC(=O)NC1C(C)C[NH+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013889133	0	54	0.0	-77.96	405.97	8.46	-69.50
CCC(NC(=O)NCC(C)C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013889134	1	55	0.0	-76.47	407.11	7.00	-69.47
CCC(NC(=O)NCC(C)C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013889134	1	55	0.0	-75.12	406.90	6.97	-68.15
CC(CNC(=O)N(C)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013889146	0	49	0.0	-71.25	370.26	5.31	-65.94
CC(CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013889146	1	49	0.0	-69.91	368.49	5.13	-64.78
CC(CNC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889151	0	51	0.0	-75.63	395.92	8.34	-67.29
CC(CNC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889151	1	51	0.0	-76.41	394.43	8.15	-68.26
CC(CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013889161	0	55	0.0	-79.47	403.30	7.64	-71.83
CC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013889171	0	54	0.0	-66.56	405.72	9.67	-56.89
CC[N@H+](CCNC(=O)NCC(C)C(=O)[O-])CCC(F)(F)F	REAL300013889188	0	43	0.0	-78.98	344.58	4.93	-74.05
CC[N@@H+](CCNC(=O)NCC(C)C(=O)[O-])CCC(F)(F)F	REAL300013889188	1	43	0.0	-79.84	348.24	5.17	-74.67
CC(CNC(=O)N1CCN(C2CC[N@H+](CC3=CC=CC=C3)C2)CC1)C(=O)[O-]	REAL300013889191	0	57	0.0	-80.44	425.57	8.39	-72.05
CC(CNC(=O)N1CCN(C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1)C(=O)[O-]	REAL300013889191	1	57	0.0	-81.11	422.32	8.14	-72.97
CC(CNC(=O)N1CC([N@H+](C)CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889196	0	45	0.0	-80.35	358.99	7.94	-72.41
CC(CNC(=O)N1CC([N@@H+](C)CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889196	1	45	0.0	-80.79	357.99	7.94	-72.85
CC(CNC(=O)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1)C(=O)[O-]	REAL300013889197	0	52	0.0	-80.08	396.97	9.52	-70.56
CC(CNC(=O)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1)C(=O)[O-]	REAL300013889197	1	52	0.0	-80.89	396.73	9.53	-71.36
COCC[NH+](CCOC)C1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013889204	0	55	0.0	-73.67	397.45	5.69	-67.98
CC(CNC(=O)NC1CC2CCC(C1)[NH+]2CC(=O)N(C)C)C(=O)[O-]	REAL300013889207	0	52	0.0	-79.69	385.75	4.83	-74.86
CC(CNC(=O)N1CC2C[N@H+](C)C(C3=CC=CC=C3)C2C1)C(=O)[O-]	REAL300013889244	0	49	0.0	-79.92	373.37	9.00	-70.92
CC(CNC(=O)N1CC2C[N@@H+](C)C(C3=CC=CC=C3)C2C1)C(=O)[O-]	REAL300013889244	1	49	0.0	-80.88	367.79	8.64	-72.24
CC(CNC(=O)NC1CC[NH+](CC2=CC=C(Br)C=C2)CC1)C(=O)[O-]	REAL300013889256	1	48	0.0	-81.53	392.68	8.09	-73.44
CC(CNC(=O)NC1CCCCC1[NH+]1CCOCC1)C(=O)[O-]	REAL300013889261	1	49	0.0	-72.25	357.44	5.27	-66.98
CC(CNC(=O)N1CCC(CC[N@@H+]2CCCCC2C)CC1)C(=O)[O-]	REAL300013889263	0	57	0.0	-77.00	399.55	9.42	-67.58
CC(CNC(=O)N1CCC(CC[N@H+]2CCCCC2C)CC1)C(=O)[O-]	REAL300013889263	1	57	0.0	-75.53	407.99	9.76	-65.77
CC1=CC=C(CNC(=O)NCC(C)C(=O)[O-])C(N2CCCC2)=[NH+]1	REAL300013889289	1	47	0.0	-67.03	360.06	6.08	-60.95
CC(CNC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300013889291	0	51	0.0	-74.21	380.30	7.43	-66.78
CC(CNC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300013889291	1	51	0.0	-73.11	372.96	7.07	-66.04
CC(CNC(=O)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300013889294	0	52	0.0	-71.73	366.57	9.09	-62.64
CC(CNC(=O)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300013889294	1	52	0.0	-72.25	379.97	9.64	-62.61
CC(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300013889295	0	49	0.0	-67.65	380.45	5.01	-62.64
CC(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300013889295	1	49	0.0	-69.09	385.11	4.42	-64.67
CC[NH+](CC)CCCC1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013889308	0	56	0.0	-75.05	404.62	9.54	-65.51
CC(CNC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013889317	1	49	0.0	-73.14	383.44	8.37	-64.77
CC(CNC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013889317	1	49	0.0	-73.03	382.63	8.35	-64.68
CC(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013889319	0	52	0.0	-76.03	396.68	6.67	-69.36
CC(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013889319	1	52	0.0	-75.97	397.25	6.62	-69.35
CC(CNC(=O)NCCC[N@@H+]1CCCOC(C)C1)C(=O)[O-]	REAL300013889337	0	48	0.0	-76.66	360.68	4.88	-71.78
CC(CNC(=O)NCCC[N@H+]1CCCOC(C)C1)C(=O)[O-]	REAL300013889337	1	48	0.0	-75.30	361.55	4.44	-70.86
CC(CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013889339	0	53	0.0	-78.21	385.40	6.12	-72.09
CC(CNC(=O)N(C)CCC[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013889350	0	47	0.0	-73.54	371.11	7.72	-65.82
CC(CNC(=O)N(C)CCC[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013889350	1	47	0.0	-72.58	369.17	7.61	-64.97
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013889373	0	51	0.0	-75.76	372.54	9.08	-66.68
CC(CNC(=O)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889404	0	55	0.0	-76.09	404.83	10.41	-65.68
CC(CNC(=O)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889404	1	55	0.0	-74.93	394.87	9.87	-65.06
CC(CNC(=O)N1CCN(C(=O)C2CCC[N@@H+]2C)CC1)C(=O)[O-]	REAL300013889411	0	49	0.0	-75.35	361.76	5.75	-69.60
CC(CNC(=O)N1CCN(C(=O)C2CCC[N@H+]2C)CC1)C(=O)[O-]	REAL300013889411	1	49	0.0	-74.80	366.97	6.02	-68.78
CC1=CC=[NH+]C(N2CCN(C(=O)NCC(C)C(=O)[O-])CC2)=C1	REAL300013889416	1	44	0.0	-69.00	341.24	6.20	-62.80
CC(CNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013889418	1	50	0.0	-79.70	399.18	5.98	-73.72
CC(CNC(=O)NC1CC[NH+](CC2=CC(Cl)=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013889437	1	48	0.0	-82.12	405.13	8.54	-73.58
CC(CNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013889446	0	55	0.0	-77.90	415.44	9.04	-68.86
CC(CNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013889446	1	55	0.0	-79.20	409.84	9.52	-69.68
CC(CNC(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300013889478	0	44	0.0	-67.01	353.07	6.63	-60.38
CC(C)OC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013889484	0	54	0.0	-75.30	410.09	8.05	-67.25
CC(C)CC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013889490	0	56	0.0	-72.67	425.22	9.01	-63.66
CC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300013889501	0	48	0.0	-73.88	368.73	7.05	-66.83
CC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300013889501	1	48	0.0	-72.53	365.78	7.70	-64.83
CC(CNC(=O)N1CCC([N@H+](C)CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889508	0	48	0.0	-76.92	372.72	8.62	-68.30
CC(CNC(=O)N1CCC([N@@H+](C)CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889508	1	48	0.0	-77.89	372.66	8.63	-69.26
CC(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO)C(=O)[O-]	REAL300013889540	0	52	0.0	-68.78	393.71	4.72	-64.06
CC(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO)C(=O)[O-]	REAL300013889540	1	52	0.0	-69.07	393.30	5.07	-64.00
CC[NH+](CC)CCOCCN(CC1=CC=CC=C1)C(=O)NCC(C)C(=O)[O-]	REAL300013889568	0	60	0.0	-57.33	441.51	10.54	-46.79
CC(CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013889581	0	56	0.0	-76.64	393.37	6.29	-70.35
CC(CNC(=O)NC1CC[NH+](CC2=COC(C3=CC=CC=C3)=N2)CC1)C(=O)[O-]	REAL300013889591	1	54	0.0	-81.46	429.03	6.36	-75.10
CC1=C[NH+]=CC=C1OC1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013889599	1	46	0.0	-77.28	357.07	6.70	-70.58
CC(CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(=O)[O-]	REAL300013889615	0	49	0.0	-76.17	355.25	6.11	-70.06
CC(CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(=O)[O-]	REAL300013889615	1	49	0.0	-76.87	352.58	5.83	-71.04
CC(CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C(=O)[O-]	REAL300013889616	0	49	0.0	-76.61	353.43	5.87	-70.74
CC(CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C(=O)[O-]	REAL300013889616	1	49	0.0	-76.11	354.44	6.07	-70.04
CC(CNC(=O)NCC1=CC=NC=C1OCCC[NH+](C)C)C(=O)[O-]	REAL300013889622	0	50	0.0	-74.77	399.76	4.99	-69.78
CC(CNC(=O)N(C)CCC[N@H+](C)CCN(C)C)C(=O)[O-]	REAL300013889624	0	51	0.0	-71.36	384.21	5.30	-66.06
CC(CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)C(=O)[O-]	REAL300013889624	1	51	0.0	-71.38	385.20	5.34	-66.04
CC(CNC(=O)N(C)CCCN(C)CC[NH+](C)C)C(=O)[O-]	REAL300013889624	1	51	0.0	-73.43	385.40	5.51	-67.92
CCCN(CC[NH+]1CCCCCC1)C(=O)NCC(C)C(=O)[O-]	REAL300013889625	0	53	0.0	-70.44	386.58	8.99	-61.45
CC(CNC(=O)N[C@H](C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013889629	0	47	0.0	-76.99	368.23	7.53	-69.46
CC(CNC(=O)N[C@H](C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013889629	1	47	0.0	-76.97	369.13	7.55	-69.42
CC(CNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889669	0	48	0.0	-78.49	369.37	8.07	-70.42
CC(CNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889669	1	48	0.0	-78.74	369.31	8.08	-70.66
CC(CNC(=O)N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889679	0	51	0.0	-72.20	388.17	9.55	-62.65
CC(CNC(=O)N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889679	1	51	0.0	-72.98	390.06	9.56	-63.42
CC(C)[NH+]1CCC(N2CCN(C(=O)NCC(C)C(=O)[O-])CC2)CC1	REAL300013889689	0	56	0.0	-75.22	398.43	6.60	-68.62
CC(CNC(=O)N1CCC2C(CCC[N@@H+]2C2CC2)C1)C(=O)[O-]	REAL300013889712	0	49	0.0	-75.43	353.87	7.80	-67.63
CC(CNC(=O)N1CCC2C(CCC[N@H+]2C2CC2)C1)C(=O)[O-]	REAL300013889712	1	49	0.0	-74.22	348.81	7.68	-66.54
CCC1CN(C(=O)NCC(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013889726	0	51	0.0	-73.31	382.50	9.36	-63.95
CCC1CN(C(=O)NCC(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013889726	1	51	0.0	-73.34	382.35	9.33	-64.01
CC(CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013889758	1	48	0.0	-69.19	365.83	6.05	-63.14
CC(CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013889758	1	48	0.0	-69.61	358.45	6.02	-63.59
CC(CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C(=O)[O-]	REAL300013889759	1	48	0.0	-69.88	359.27	5.95	-63.93
CC(CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C(=O)[O-]	REAL300013889759	1	48	0.0	-68.43	358.44	5.91	-62.52
CC1=CC(CNC(=O)NCC(C)C(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013889780	1	47	0.0	-65.18	372.81	5.02	-60.16
CSC1(CNC(=O)NCC(C)C(=O)[O-])CC[NH+](C)CC1	REAL300013889781	0	45	0.0	-74.03	345.08	5.43	-68.60
CC(CNC(=O)N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013889796	0	51	0.0	-75.42	375.73	9.28	-66.14
CC(CNC(=O)N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013889796	1	51	0.0	-72.02	376.92	9.84	-62.18
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCC(C)C(=O)[O-]	REAL300013889800	0	54	0.0	-71.12	410.89	10.62	-60.50
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCC(C)C(=O)[O-]	REAL300013889800	1	54	0.0	-77.01	412.37	10.57	-66.44
CC(CNC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013889823	0	50	0.0	-76.79	382.66	6.43	-70.36
CC(CNC(=O)NCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889827	0	51	0.0	-75.58	395.48	8.00	-67.58
CC(CNC(=O)NCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889827	1	51	0.0	-75.50	390.18	7.66	-67.84
CC(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013889852	0	48	0.0	-74.34	373.10	7.89	-66.45
CC(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013889852	1	48	0.0	-75.26	376.05	7.51	-67.75
CC(CNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889877	0	48	0.0	-76.44	375.12	7.37	-69.07
CC(CNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889877	1	48	0.0	-77.12	378.47	7.46	-69.66
CC(CNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013889889	0	49	0.0	-81.40	374.74	8.92	-72.48
CC(CNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013889889	1	49	0.0	-82.65	376.51	8.99	-73.66
CC(CNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889892	0	54	0.0	-75.71	403.15	8.95	-66.76
CC(CNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889892	1	54	0.0	-75.84	402.84	8.83	-67.01
CC(CNC(=O)N1CCCC(C[N@@H+]2CCCCC2C)C1)C(=O)[O-]	REAL300013889923	0	54	0.0	-66.90	379.20	8.84	-58.06
CC(CNC(=O)N1CCCC(C[N@H+]2CCCCC2C)C1)C(=O)[O-]	REAL300013889923	1	54	0.0	-70.43	386.32	9.19	-61.24
CC(CNC(=O)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300013889941	0	48	0.0	-83.75	391.97	7.72	-76.03
CC(CNC(=O)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1)C(=O)[O-]	REAL300013889941	1	48	0.0	-84.50	394.42	7.85	-76.65
CC(CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013889945	0	52	0.0	-75.89	385.73	7.66	-68.23
CC(C)OCC[NH+]1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013889955	1	48	0.0	-73.06	362.30	6.22	-66.84
CC(CNC(=O)N(C)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889956	0	51	0.0	-72.88	385.64	9.57	-63.31
CC(CNC(=O)N(C)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013889956	1	51	0.0	-73.57	386.45	9.60	-63.97
CC(CNC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013889964	0	50	0.0	-72.75	379.97	7.41	-65.34
CC(CNC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013889964	1	50	0.0	-75.92	383.57	7.43	-68.49
CC(CNC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013889969	0	44	0.0	-76.78	357.61	7.73	-69.05
CC[NH+](CC)CCOC1CCN(C(=O)NCC(C)C(=O)[O-])C1	REAL300013889973	0	51	0.0	-73.30	385.62	6.70	-66.60
CC(CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013889978	0	54	0.0	-76.18	396.36	9.35	-66.83
CC(CNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300013889982	1	51	0.0	-73.93	359.45	5.91	-68.02
CC(CNC(=O)N1CC[NH+](C2C3=CC=CC=C3C3=CC=CC=C32)CC1)C(=O)[O-]	REAL300013889986	1	53	0.0	-74.89	402.13	11.06	-63.83
CC(CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(=O)[O-]	REAL300013889998	0	54	0.0	-74.00	392.81	7.60	-66.40
CC(CNC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013890006	0	54	0.0	-75.73	417.25	8.67	-67.06
CC(CNC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013890006	1	54	0.0	-74.71	416.99	8.72	-65.99
CC(CNC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC[NH+](C)C)C(=O)[O-]	REAL300013890007	0	54	0.0	-84.81	424.51	5.23	-79.58
CC(CNC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300013890043	0	47	0.0	-78.01	383.38	7.31	-70.70
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)C(=O)[O-]	REAL300013890044	0	53	0.0	-77.03	402.73	8.86	-68.17
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)C(=O)[O-]	REAL300013890044	1	53	0.0	-78.33	397.43	8.68	-69.65
CC(CNC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013890095	0	48	0.0	-71.02	368.98	7.02	-64.00
CC(CNC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013890095	1	48	0.0	-70.97	368.95	7.02	-63.95
CC(CNC(=O)NC(C[NH+]1CCCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013890102	0	51	0.0	-72.92	391.02	9.01	-63.91
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCC(C)C(=O)[O-])=C1	REAL300013890109	0	50	0.0	-81.79	386.95	9.56	-72.23
CC(CNC(=O)N1CCC(OCC[NH+](C)C)CC1)C(=O)[O-]	REAL300013890110	0	48	0.0	-75.41	362.88	6.29	-69.12
CC(CNC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300013890111	0	50	0.0	-74.21	374.47	3.86	-70.35
CC(CNC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300013890111	1	50	0.0	-74.73	373.99	3.84	-70.89
CC(CNC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300013890111	1	50	0.0	-74.48	367.42	3.55	-70.93
CC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1CO)C(=O)[O-]	REAL300013890121	0	52	0.0	-72.84	393.72	4.95	-67.89
CC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO)C(=O)[O-]	REAL300013890121	1	52	0.0	-72.85	391.81	4.46	-68.39
CC(CNC(=O)N1CCC2(C1)CCC[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300013890123	0	55	0.0	-80.95	408.21	10.17	-70.78
CC(CNC(=O)N1CCC2(C1)CCC[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300013890123	1	55	0.0	-71.05	409.48	10.36	-60.69
CC(CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300013890126	0	51	0.0	-72.36	371.97	7.00	-65.36
CC(C)OCC[NH+]1CCC(NC(=O)NCC(C)C(=O)[O-])CC1	REAL300013890132	0	51	0.0	-71.87	388.41	5.51	-66.36
CC(CNC(=O)NCCCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300013890140	0	53	0.0	-74.08	406.36	7.78	-66.30
CC(CNC(=O)NC(C)(C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013890157	0	50	0.0	-79.41	373.55	8.48	-70.93
CC(CNC(=O)NC(C)(C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013890157	1	50	0.0	-77.69	374.67	8.45	-69.24
CC(CNC(=O)N(C)C1CCCCC1[N@H+](C)C1CCN(C)CC1)C(=O)[O-]	REAL300013890160	0	62	0.0	-63.44	416.70	6.90	-56.54
CC(CNC(=O)N(C)C1CCCCC1[N@@H+](C)C1CCN(C)CC1)C(=O)[O-]	REAL300013890160	1	62	0.0	-61.99	409.99	7.16	-54.83
CC(CNC(=O)N1CCN(C2=CC=[NH+]C=C2Cl)CC1)C(=O)[O-]	REAL300013890161	1	41	0.0	-76.40	332.89	5.08	-71.32
CC(CC[NH+]1CCN(C)CC1)NC(=O)NCC(C)C(=O)[O-]	REAL300013890194	0	49	0.0	-74.96	371.76	3.77	-71.19
CC(CCN1CC[NH+](C)CC1)NC(=O)NCC(C)C(=O)[O-]	REAL300013890194	1	49	0.0	-76.09	372.66	3.92	-72.17
CC(CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013890196	0	52	0.0	-78.09	377.67	3.66	-74.43
CC(CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013890196	1	52	0.0	-76.93	380.25	3.87	-73.06
CCN(C(=O)NCC(C)C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013890199	0	51	0.0	-63.69	389.16	9.93	-53.76
CCN(C(=O)NCC(C)C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013890199	1	51	0.0	-62.97	387.56	9.86	-53.11
CC(CNC(=O)N(C)C1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300013890200	0	53	0.0	-73.91	386.27	5.81	-68.10
CC(CNC(=O)N(C)C1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300013890200	1	53	0.0	-72.38	384.68	5.68	-66.70
CC(CNC(=O)N(C)C1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300013890200	1	53	0.0	-77.02	385.94	5.74	-71.28
CC(CNC(=O)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2)C(=O)[O-]	REAL300013890242	0	55	0.0	-77.97	409.84	10.04	-67.93
CCC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+](CC)CC)C=C1	REAL300013890245	0	56	0.0	-68.92	417.40	8.69	-60.23
CC(CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C(=O)[O-]	REAL300013890246	0	51	0.0	-77.97	382.92	3.28	-74.69
CC(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C2CCCCC21)C(=O)[O-]	REAL300013890250	0	55	0.0	-74.21	389.60	9.74	-64.47
CC(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C2CCCCC21)C(=O)[O-]	REAL300013890250	1	55	0.0	-74.89	399.13	10.31	-64.58
CC(CNC(=O)N1CCN(C2CCC[N@H+](C)C2)CC1)C(=O)[O-]	REAL300013890268	0	50	0.0	-78.19	355.50	4.90	-73.29
CC(CNC(=O)N1CCN(C2CCC[N@@H+](C)C2)CC1)C(=O)[O-]	REAL300013890268	1	50	0.0	-75.84	362.29	5.32	-70.52
CC(CNC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)C(=O)[O-]	REAL300013890279	0	51	0.0	-74.40	367.55	8.30	-66.10
CCOCCC[N@@H+]1CCC(NC(=O)NCC(C)C(=O)[O-])C(C)C1	REAL300013890281	0	54	0.0	-78.49	405.71	6.61	-71.88
CCOCCC[N@H+]1CCC(NC(=O)NCC(C)C(=O)[O-])C(C)C1	REAL300013890281	1	54	0.0	-74.88	400.42	6.08	-68.80
CC(CNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013890282	0	51	0.0	-79.05	385.35	2.46	-76.59
CC(CNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013890282	1	51	0.0	-79.10	386.19	2.48	-76.62
CC(CNC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013890284	0	51	0.0	-72.03	387.51	8.20	-63.83
CC(CNC(=O)NCCC[NH+](CC1=CC=CC=C1)CC1=CC=CC=C1)C(=O)[O-]	REAL300013890294	0	57	0.0	-78.24	441.51	10.44	-67.80
CC(CNC(=O)N1CC[NH+](C2CC3CCC2C3)CC1)C(=O)[O-]	REAL300013890301	0	49	0.0	-73.34	349.95	8.18	-65.16
CC(CNC(=O)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013890305	0	58	0.0	-77.58	448.63	8.27	-69.31
CC(CNC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013890310	0	44	0.0	-82.01	355.14	6.33	-75.68
CC(CNC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013890310	1	44	0.0	-82.01	355.09	6.34	-75.67
CC(CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)C(=O)[O-]	REAL300013890311	0	51	0.0	-78.02	384.75	6.90	-71.12
CC(CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C(=O)[O-]	REAL300013890362	0	53	0.0	-78.48	372.85	6.54	-71.94
CC(CNC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300013890372	0	51	0.0	-71.12	363.37	6.31	-64.81
CC(CNC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300013890372	1	51	0.0	-72.62	361.83	7.58	-65.04
CC(CNC(=O)NCC1(C)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013890376	0	51	0.0	-76.15	394.46	8.12	-68.03
CC(CNC(=O)NCC1(C)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013890376	1	51	0.0	-75.85	395.01	8.17	-67.68
CC(C)C1=CC=C(C[NH+]2CCN(C(=O)NCC(C)C(=O)[O-])CC2)C=C1	REAL300013890391	1	54	0.0	-77.17	406.61	10.19	-66.98
CC(CNC(=O)NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013890404	0	49	0.0	-78.43	384.71	4.36	-74.07
CC(CNC(=O)NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013890404	1	49	0.0	-78.82	384.85	4.34	-74.48
COCC[NH+]1C2CCC1CC(N(C)C(=O)NCC(C)C(=O)[O-])C2	REAL300013890409	0	52	0.0	-64.33	352.26	4.86	-59.47
CC(C)[N@@H+]1CCOC(CN2CCN(C(=O)NCC(C)C(=O)[O-])CC2)C1	REAL300013890440	0	57	0.0	-76.57	415.33	5.30	-71.27
CC(C)[N@H+]1CCOC(CN2CCN(C(=O)NCC(C)C(=O)[O-])CC2)C1	REAL300013890440	1	57	0.0	-76.13	408.62	5.25	-70.88
CC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013890443	0	51	0.0	-77.89	382.74	8.45	-69.44
CC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013890443	1	51	0.0	-78.26	387.54	8.74	-69.52
CC(CNC(=O)N(CC[N@H+](C)CC1=CC=CC=C1)CC1=CC=CC=C1)C(=O)[O-]	REAL300013890445	0	57	0.0	-74.19	435.65	12.43	-61.76
CC(CNC(=O)N(CC[N@@H+](C)CC1=CC=CC=C1)CC1=CC=CC=C1)C(=O)[O-]	REAL300013890445	1	57	0.0	-72.87	438.44	12.55	-60.32
CC(CNC(=O)N(CC1=CC=CC=C1)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013890446	0	51	0.0	-70.03	383.98	10.13	-59.90
CC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300013890450	0	52	0.0	-71.57	395.69	5.64	-65.93
CC1=CC(N2CCC(NC(=O)NCC(C)C(=O)[O-])CC2)=NC(C)=[NH+]1	REAL300013890464	1	49	0.0	-68.51	383.85	5.19	-63.32
CC(C)[NH+]1CCN(C2CCN(C(=O)NCC(C)C(=O)[O-])CC2)CC1	REAL300013890484	0	56	0.0	-72.13	395.01	6.29	-65.84
CC(C)N1CC[NH+](C2CCN(C(=O)NCC(C)C(=O)[O-])CC2)CC1	REAL300013890484	1	56	0.0	-75.83	394.83	6.29	-69.54
CC(CNC(=O)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1)C(=O)[O-]	REAL300013890495	0	55	0.0	-81.42	408.14	10.30	-71.12
CC(CNC(=O)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1)C(=O)[O-]	REAL300013890495	1	55	0.0	-81.03	407.87	10.31	-70.72
CC(CNC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013890502	0	48	0.0	-78.61	398.22	8.19	-70.42
CC(CNC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013890502	1	48	0.0	-80.17	398.48	8.07	-72.10
CC(CNC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013890503	0	47	0.0	-72.70	379.81	3.48	-69.22
CC(CNC(=O)NCC(C1CC1)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013890514	0	51	0.0	-74.73	385.30	9.32	-65.41
CC(CNC(=O)NCC(C1CC1)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013890514	1	51	0.0	-72.61	393.06	8.67	-63.94
CC(CNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300013890558	0	54	0.0	-74.83	383.49	7.08	-67.75
CC(CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300013890559	0	49	0.0	-70.20	357.42	3.15	-67.05
CC(CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300013890559	1	49	0.0	-68.64	355.79	3.00	-65.64
CSC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013890572	0	48	0.0	-75.78	384.25	7.34	-68.44
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCC(C)C(=O)[O-]	REAL300013890592	1	52	0.0	-75.50	398.90	6.12	-69.38
CC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013890619	0	51	0.0	-73.24	390.07	8.05	-65.19
CC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013890619	1	51	0.0	-74.84	385.23	8.37	-66.47
CC(CNC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013890621	0	62	0.0	-70.48	441.87	7.85	-62.63
CC(CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013890633	0	51	0.0	-72.90	371.08	6.97	-65.93
CC(CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(=O)[O-]	REAL300013890634	0	57	0.0	-81.80	426.61	5.18	-76.62
CC(C)CC[NH+]1CCC(CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013890637	0	53	0.0	-76.76	392.81	7.31	-69.45
CC(CNC(=O)N1CCC([NH+]2CCN(C)CC2)C(C)C1)C(=O)[O-]	REAL300013890652	0	53	0.0	-76.31	376.80	6.08	-70.23
CC(CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(=O)[O-]	REAL300013890655	0	51	0.0	-74.16	377.66	7.27	-66.89
CC(CNC(=O)N1CC(C)[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013890669	0	51	0.0	-76.37	376.80	9.69	-66.68
CC(CNC(=O)N1CC(C)[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013890669	1	51	0.0	-72.84	378.61	9.30	-63.54
CCCC1CN(C(=O)NCC(C)C(=O)[O-])CC[N@@H+]1CCOC	REAL300013890672	0	51	0.0	-72.43	377.97	6.39	-66.04
CCCC1CN(C(=O)NCC(C)C(=O)[O-])CC[N@H+]1CCOC	REAL300013890672	1	51	0.0	-72.53	375.98	6.66	-65.87
COCC[N@H+](C)CCCC1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013890673	0	57	0.0	-75.64	419.81	8.01	-67.63
COCC[N@@H+](C)CCCC1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013890673	1	57	0.0	-77.33	420.75	8.02	-69.31
CC(CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013890698	0	49	0.0	-70.14	359.56	6.25	-63.89
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC(C)C(=O)[O-])C1	REAL300013890726	0	48	0.0	-75.22	365.19	4.40	-70.82
CC(C)C[N@H+]1CCOC(CNC(=O)NCC(C)C(=O)[O-])C1	REAL300013890726	1	48	0.0	-74.95	364.66	4.46	-70.49
CC(CNC(=O)N1CC[NH+](CC2=CC=CC3=CC=CC=C32)CC1)C(=O)[O-]	REAL300013890738	0	51	0.0	-78.97	389.40	10.46	-68.51
CC(CNC(=O)N1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013890743	1	45	0.0	-80.63	333.50	7.44	-73.19
CC(CNC(=O)N1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013890743	1	45	0.0	-80.20	341.47	7.92	-72.28
CC(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013890749	0	47	0.0	-81.69	365.59	8.89	-72.80
CC(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300013890769	0	49	0.0	-70.96	360.05	6.48	-64.48
CC(CNC(=O)NCCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013890798	0	47	0.0	-77.50	370.14	7.07	-70.43
CC(CNC(=O)NCCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013890798	1	47	0.0	-77.48	370.18	7.06	-70.42
COC1=CC=C(N2CC[NH+](CCCNC(=O)NCC(C)C(=O)[O-])CC2)C=C1	REAL300013890799	0	57	0.0	-82.03	433.47	5.56	-76.47
CC[NH+](CC)CC1=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=C1	REAL300013890809	0	50	0.0	-75.50	388.53	7.69	-67.81
CC(CNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013890810	0	48	0.0	-81.33	388.11	7.99	-73.34
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC(C)C(=O)[O-]	REAL300013890816	0	50	0.0	-66.71	381.87	7.95	-58.76
CC(CNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013890817	0	51	0.0	-76.79	393.61	8.11	-68.68
CC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300013890853	0	48	0.0	-66.25	372.24	7.68	-58.57
CC[NH+](CC)C(CNC(=O)NCC(C)C(=O)[O-])C1=CC=CC(OC)=C1	REAL300013890893	0	54	0.0	-68.57	402.99	6.22	-62.35
CC(CNC(=O)N1CC[NH+](CCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013890897	1	48	0.0	-79.91	368.95	9.12	-70.79
CC(CNC(=O)N1CCC[N@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013890903	0	48	0.0	-76.39	361.61	9.50	-66.89
CC(CNC(=O)N1CCC[N@@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013890903	1	48	0.0	-76.54	362.41	9.51	-67.03
CC(CNC(=O)N1CCC[N@H+](CC2=CC=C(C#N)C=C2)CC1)C(=O)[O-]	REAL300013890904	0	49	0.0	-87.05	383.28	9.90	-77.15
CC(CNC(=O)N1CCC[N@@H+](CC2=CC=C(C#N)C=C2)CC1)C(=O)[O-]	REAL300013890904	1	49	0.0	-86.98	382.17	9.93	-77.05
CC(CNC(=O)N1CCC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)CC1)C(=O)[O-]	REAL300013890905	0	51	0.0	-82.79	400.94	10.55	-72.24
CC(CNC(=O)N1CCC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)CC1)C(=O)[O-]	REAL300013890905	1	51	0.0	-82.47	400.05	10.53	-71.94
CC1=CC=C(C[N@H+]2CCCN(C(=O)NCC(C)C(=O)[O-])CC2)C=C1	REAL300013890906	0	51	0.0	-75.10	382.80	10.19	-64.91
CC1=CC=C(C[N@@H+]2CCCN(C(=O)NCC(C)C(=O)[O-])CC2)C=C1	REAL300013890906	1	51	0.0	-74.59	381.84	10.19	-64.40
CC(CNC(=O)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013890919	1	48	0.0	-80.68	367.78	9.56	-71.12
CC(CNC(=O)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013890919	1	48	0.0	-79.98	366.85	9.59	-70.39
COC1=CC=C(C[N@@H+]2CCCN(C(=O)NCC(C)C(=O)[O-])CC2)C=C1	REAL300013890920	0	52	0.0	-77.12	389.94	8.82	-68.30
COC1=CC=C(C[N@H+]2CCCN(C(=O)NCC(C)C(=O)[O-])CC2)C=C1	REAL300013890920	1	52	0.0	-78.63	391.69	8.82	-69.81
CC(CNC(=O)N1CCC[N@H+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013890921	1	48	0.0	-79.57	378.11	10.02	-69.55
CC(CNC(=O)N1CCC[N@@H+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013890921	1	48	0.0	-79.43	378.05	10.05	-69.38
CC(CNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300013890931	1	45	0.0	-70.22	357.42	2.93	-67.29
CC(CNC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013890932	1	51	0.0	-68.51	364.78	4.73	-63.78
CC(CNC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013890960	0	49	0.0	-78.41	384.76	4.89	-73.52
CC(CNC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013890967	0	48	0.0	-77.45	368.30	4.38	-73.07
CC(C)C(CNC(=O)NCC(C)C(=O)[O-])[NH+]1CCOCC1	REAL300013890971	1	48	0.0	-73.75	346.92	4.67	-69.08
CC(CNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300013890972	1	47	0.0	-69.57	366.42	5.39	-64.18
CC(CNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300013890973	1	44	0.0	-70.32	351.33	4.48	-65.84
CCC(CC)C(CNC(=O)NCC(C)C(=O)[O-])[NH+]1CCOCC1	REAL300013890976	0	54	0.0	-70.32	377.25	5.39	-64.93
CC(C)C(CNC(=O)NCC(C)C(=O)[O-])[NH+]1CCN(C)CC1	REAL300013890977	0	52	0.0	-71.09	372.00	4.55	-66.54
CC(C)C(CNC(=O)NCC(C)C(=O)[O-])N1CC[NH+](C)CC1	REAL300013890977	1	52	0.0	-75.43	374.80	3.93	-71.50
CC[NH+](CC)C(CNC(=O)NCC(C)C(=O)[O-])CC(C)C	REAL300013890978	0	52	0.0	-68.24	365.10	6.95	-61.29
CC(CNC(=O)N(CC1=CC=CO1)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013890980	0	48	0.0	-67.25	362.87	7.99	-59.26
CC(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013890982	0	48	0.0	-70.69	372.34	7.54	-63.15
CC(CNC(=O)NCC1=CC=CC=C1C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013890988	0	54	0.0	-69.11	428.05	9.75	-59.36
CC(CNC(=O)NCC1=CC=CC=C1C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013890989	0	58	0.0	-66.68	451.99	10.88	-55.80
CC(CNC(=O)N1CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC1)C(=O)[O-]	REAL300013890994	1	47	0.0	-72.39	385.04	7.67	-64.72
CC(CNC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300013890996	1	51	0.0	-81.09	398.89	5.88	-75.21
CC(CNC(=O)N1CC[NH+](C(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013891011	1	55	0.0	-72.70	417.60	11.88	-60.82
CC(CNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013891012	1	45	0.0	-77.54	347.24	8.26	-69.28
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013891033	1	54	0.0	-75.33	399.43	8.14	-67.19
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013891033	1	54	0.0	-76.18	400.11	8.11	-68.07
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013891034	0	51	0.0	-74.07	377.99	10.12	-63.95
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013891034	1	51	0.0	-73.49	377.34	10.20	-63.29
CC(CNC(=O)NC1CC[NH+](CCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013891043	0	51	0.0	-77.78	393.77	8.36	-69.42
CC(CNC(=O)NC1CCN(CC[NH+](C)C)CC1)C(=O)[O-]	REAL300013891044	0	49	0.0	-75.10	368.13	3.49	-71.61
CC(CNC(=O)NC1CC[NH+](CCN(C)C)CC1)C(=O)[O-]	REAL300013891044	1	49	0.0	-74.42	367.82	3.37	-71.05
CC(CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013891045	0	47	0.0	-72.41	367.29	5.69	-66.72
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NCC(C)C(=O)[O-])CC1	REAL300013891046	0	51	0.0	-76.32	388.60	8.18	-68.14
CC(CNC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300013891047	0	54	0.0	-77.86	415.68	8.80	-69.06
CC(CNC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300013891048	0	54	0.0	-74.66	411.46	8.66	-66.00
CC(CNC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300013891048	1	54	0.0	-74.93	410.59	8.64	-66.29
CC(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300013891049	0	54	0.0	-64.72	400.82	9.46	-55.26
CC(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300013891049	1	54	0.0	-65.07	404.35	8.90	-56.17
CC(CNC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300013891050	0	55	0.0	-79.83	428.10	7.21	-72.62
CC(CNC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300013891051	0	54	0.0	-76.81	414.76	8.76	-68.05
CC(CNC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300013891051	1	54	0.0	-77.17	415.69	8.79	-68.38
CC(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013891052	0	54	0.0	-64.97	406.58	9.70	-55.27
CC(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013891052	1	54	0.0	-65.57	409.37	9.01	-56.56
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC(C)C(=O)[O-]	REAL300013891053	0	50	0.0	-66.45	380.45	7.71	-58.74
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC(C)C(=O)[O-]	REAL300013891053	1	50	0.0	-66.63	377.05	8.22	-58.41
CC(CNC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013891054	0	48	0.0	-77.01	382.23	6.07	-70.94
CC(CNC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013891055	0	48	0.0	-76.12	383.10	6.11	-70.01
CC(CNC(=O)NCC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013891061	1	52	0.0	-85.17	407.86	6.16	-79.01
CC(CNC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300013891064	1	50	0.0	-67.82	387.19	5.97	-61.85
CC(CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300013891065	1	44	0.0	-67.16	346.43	4.47	-62.69
CC(CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300013891066	1	45	0.0	-71.79	357.47	2.95	-68.84
CC(CNC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013891067	0	48	0.0	-74.17	371.72	7.52	-66.65
CC(CNC(=O)NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013891071	0	54	0.0	-84.86	417.43	5.15	-79.71
CCN(CC)C1=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=[NH+]1	REAL300013891086	1	46	0.0	-66.14	367.47	6.45	-59.69
CC(CNC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300013891087	0	49	0.0	-76.19	383.94	4.88	-71.31
CC(CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013891088	1	50	0.0	-66.79	376.87	5.70	-61.09
CC(CNC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300013891089	1	48	0.0	-70.64	378.37	3.46	-67.18
CC(CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013891090	1	47	0.0	-67.95	366.09	5.20	-62.75
CC(CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300013891110	1	45	0.0	-74.45	359.23	3.21	-71.24
CC(CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300013891111	0	48	0.0	-74.73	378.89	7.50	-67.23
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC(C)C(=O)[O-])=C1	REAL300013891112	0	50	0.0	-74.25	389.41	7.68	-66.57
CC(CNC(=O)N(CCC1=CC=CC=C1)CC[NH+](C)C)C(=O)[O-]	REAL300013891123	0	50	0.0	-81.40	389.72	9.75	-71.65
CC(CNC(=O)N(CC[NH+](C)C)CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300013891124	0	48	0.0	-86.81	391.18	9.50	-77.31
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=C1	REAL300013891156	0	54	0.0	-75.06	413.61	7.17	-67.89
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC(C)C(=O)[O-]	REAL300013891157	0	54	0.0	-69.19	417.29	7.49	-61.70
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=N2)CC1	REAL300013891159	0	52	0.0	-76.84	401.63	5.55	-71.29
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=C2)CC1	REAL300013891160	0	56	0.0	-74.90	428.21	6.37	-68.53
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCC(C)C(=O)[O-])C=C2)CC1	REAL300013891160	1	56	0.0	-78.48	428.57	6.39	-72.09
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013891161	0	56	0.0	-66.22	424.80	7.45	-58.77
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013891161	1	56	0.0	-65.03	420.35	7.31	-57.72
CC(CNC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300013891163	0	57	0.0	-77.25	435.59	9.35	-67.90
CC(CNC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013891164	0	57	0.0	-65.73	427.41	10.29	-55.44
CC(CNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1)C(=O)[O-]	REAL300013891169	1	51	0.0	-71.06	403.81	7.48	-63.58
CC(CNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013891171	0	48	0.0	-73.12	385.31	8.72	-64.40
CC(CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013891172	1	45	0.0	-90.59	353.45	3.58	-87.01
CC[NH+](CC)C(CNC(=O)NCC(C)C(=O)[O-])C1=CSC=C1	REAL300013891176	0	47	0.0	-69.36	358.37	6.98	-62.38
CC(C)C(CNC(=O)NCC(C)C(=O)[O-])[NH+]1CCC(C)CC1	REAL300013891177	0	53	0.0	-68.47	376.51	7.91	-60.56
CC[NH+](CC)C(CNC(=O)NCC(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013891178	0	53	0.0	-68.09	390.61	7.87	-60.22
CC(CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013891179	0	58	0.0	-83.87	435.56	7.09	-76.78
CC(CNC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013891180	0	45	0.0	-77.43	352.76	6.71	-70.72
CC(CNC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013891180	1	45	0.0	-77.19	351.85	6.70	-70.49
CCC(CNC(=O)NCC(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013891181	0	51	0.0	-72.64	378.69	8.65	-63.99
CCC(CNC(=O)NCC(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013891181	1	51	0.0	-73.41	378.48	8.71	-64.70
CC(CNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013891183	0	48	0.0	-78.85	374.24	7.50	-71.35
CC(CNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013891183	1	48	0.0	-78.85	374.23	7.50	-71.35
CC(CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013891186	0	48	0.0	-74.00	371.30	8.86	-65.14
CC(CNC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013891215	0	56	0.0	-74.73	425.65	6.32	-68.41
CC(CNC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013891215	1	56	0.0	-76.74	415.53	5.71	-71.03
CC(CNC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013891215	1	56	0.0	-80.04	420.66	6.38	-73.66
CC(CNC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013891215	1	56	0.0	-80.88	420.51	6.24	-74.64
CC(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013891216	0	53	0.0	-79.60	403.96	6.27	-73.33
CC(CNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013891217	0	56	0.0	-77.65	429.16	6.44	-71.21
CC(CNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013891217	1	56	0.0	-77.70	428.30	6.46	-71.24
CC(CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013891218	0	49	0.0	-79.82	359.31	6.26	-73.56
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013891226	0	60	0.0	-86.37	445.56	7.30	-79.07
CCN1CC[NH+](CCCCNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013891274	0	52	0.0	-75.34	391.26	4.35	-70.99
CC[NH+]1CCN(CCCCNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013891274	1	52	0.0	-73.70	391.63	4.34	-69.36
CC(CNC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013891276	0	53	0.0	-75.07	399.20	7.32	-67.75
CC(CNC(=O)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013891279	1	52	0.0	-72.44	414.72	9.43	-63.01
CC(CNC(=O)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013891279	1	52	0.0	-73.60	415.21	9.47	-64.13
CC(CNC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013891290	1	53	0.0	-75.15	392.69	6.08	-69.07
CC(CNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013891291	1	50	0.0	-80.95	389.76	5.55	-75.40
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCC(C)C(=O)[O-])CC2)=C1	REAL300013891293	0	56	0.0	-80.04	426.24	6.95	-73.09
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)NCC(C)C(=O)[O-])CC2)=C1	REAL300013891294	0	59	0.0	-79.92	446.86	7.70	-72.22
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(C)C(=O)[O-])CC1	REAL300013891296	1	51	0.0	-76.05	394.40	3.96	-72.09
CC(CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C(=O)[O-]	REAL300013891298	1	52	0.0	-89.17	384.60	6.58	-82.59
C=CC[NH+](CC=C)C(CNC(=O)NCC(C)C(=O)[O-])C(C)C	REAL300013891307	0	51	0.0	-67.19	377.62	7.63	-59.56
COC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013891309	0	52	0.0	-72.67	399.44	6.72	-65.95
CC(CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300013891310	0	54	0.0	-69.84	370.29	8.00	-61.84
COC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013891311	0	48	0.0	-75.43	373.55	5.61	-69.82
CC(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300013891326	0	48	0.0	-69.92	364.10	6.35	-63.57
CC(CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013891329	0	52	0.0	-70.87	365.56	4.87	-66.00
COC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+]2CCCCC2)C=C1	REAL300013891330	0	55	0.0	-73.10	409.09	7.14	-65.96
COC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+](C)C)C=C1OC	REAL300013891341	0	52	0.0	-80.15	399.63	6.44	-73.71
CC(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300013891369	0	45	0.0	-71.05	347.65	5.60	-65.45
COC1=CC=CC=C1C(CNC(=O)NCC(C)C(=O)[O-])[NH+]1CCCC1	REAL300013891381	0	52	0.0	-68.05	392.27	7.49	-60.56
CC(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013891382	0	51	0.0	-67.97	398.91	7.90	-60.07
CC[NH+](CC)C(CNC(=O)NCC(C)C(=O)[O-])C1=CC=CC=C1Cl	REAL300013891384	0	50	0.0	-73.10	377.89	7.84	-65.26
CC(CNC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013891385	0	47	0.0	-71.04	355.98	7.69	-63.35
CC(CNC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300013891388	0	44	0.0	-76.94	350.93	6.39	-70.55
CCC1=CC=C(C(CNC(=O)NCC(C)C(=O)[O-])[NH+](C)C)C=C1	REAL300013891389	0	50	0.0	-72.70	386.95	7.76	-64.94
CC(CNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013891392	0	53	0.0	-76.50	408.05	5.72	-70.78
CC(CNC(=O)NCC(C1=CC=CS1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013891393	1	50	0.0	-73.88	389.34	4.77	-69.11
CC[NH+](CC)C(CNC(=O)NCC(C)C(=O)[O-])C1=CC=CC=C1	REAL300013891394	0	50	0.0	-69.00	369.36	7.40	-61.60
CC(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300013891395	0	45	0.0	-71.18	354.53	6.16	-65.02
CC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013891422	0	45	0.0	-76.39	354.06	6.74	-69.65
CC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013891422	1	45	0.0	-77.22	357.28	6.96	-70.26
COC1=CC=CC(C(CNC(=O)NCC(C)C(=O)[O-])[NH+]2CCCC2)=C1	REAL300013891432	0	52	0.0	-71.92	398.08	7.50	-64.42
CC(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300013891433	0	48	0.0	-68.68	379.69	8.25	-60.43
CC(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300013891434	1	44	0.0	-73.49	352.62	7.04	-66.45
CC1=CC=CC(C[NH+]2CCN(C(=O)NCC(C)C(=O)[O-])CC2)=C1	REAL300013891435	1	48	0.0	-77.94	367.81	8.91	-69.03
CC1=CC=CC=C1C[NH+]1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013891441	1	48	0.0	-76.56	363.37	8.92	-67.64
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)NCC(C)C(=O)[O-]	REAL300013891508	0	50	0.0	-68.44	394.82	9.61	-58.83
CC[NH+](CC)CCN(CC(C)C)C(=O)NCC(C)C(=O)[O-]	REAL300013891523	0	52	0.0	-66.53	384.20	8.74	-57.79
COCC(C)(C)[NH+]1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013891542	0	48	0.0	-73.12	348.41	5.24	-67.88
CC(CNC(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1)C(=O)[O-]	REAL300013891557	0	49	0.0	-76.15	376.30	9.01	-67.14
CC(CNC(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1)C(=O)[O-]	REAL300013891557	1	49	0.0	-74.88	371.14	8.62	-66.26
CC(CNC(=O)N1CC(C)[N@H+](CC2=CC=CC=C2)C(C)C1C)C(=O)[O-]	REAL300013891564	0	54	0.0	-75.84	377.69	8.90	-66.94
CC(CNC(=O)N1CC(C)[N@@H+](CC2=CC=CC=C2)C(C)C1C)C(=O)[O-]	REAL300013891564	1	54	0.0	-71.90	385.35	9.73	-62.17
CC(CNC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013891568	1	48	0.0	-72.51	358.62	4.28	-68.23
CC(CNC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013891568	1	48	0.0	-71.98	356.29	4.30	-67.68
CC[N@H+](CCCNC(=O)NCC(C)C(=O)[O-])C1CCCCC1	REAL300013891593	0	53	0.0	-74.12	383.20	6.87	-67.25
CC[N@@H+](CCCNC(=O)NCC(C)C(=O)[O-])C1CCCCC1	REAL300013891593	1	53	0.0	-74.11	384.12	6.90	-67.21
CCCCC[N@H+](CCNC(=O)NCC(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013891595	0	56	0.0	-73.77	420.54	8.67	-65.10
CCCCC[N@@H+](CCNC(=O)NCC(C)C(=O)[O-])CC1=CC=CC=C1	REAL300013891595	1	56	0.0	-74.01	421.41	8.70	-65.31
CC(CNC(=O)N1CC[N@H+](C)CC1CC1=CC=CC=C1)C(=O)[O-]	REAL300013891596	1	48	0.0	-75.39	364.48	8.84	-66.55
CC(CNC(=O)N1CC[N@@H+](C)CC1CC1=CC=CC=C1)C(=O)[O-]	REAL300013891596	1	48	0.0	-85.75	367.22	9.57	-76.18
CC(CNC(=O)NC1CC[NH+](CC2=CC=CC(C#N)=C2)CC1)C(=O)[O-]	REAL300013891607	0	49	0.0	-88.19	392.53	7.91	-80.28
CC(CNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013891614	1	45	0.0	-77.54	347.24	8.26	-69.28
CC[NH+](CC)CCN(CC1=CC=C(Cl)C=C1)C(=O)NCC(C)C(=O)[O-]	REAL300013891640	0	53	0.0	-80.52	422.89	10.97	-69.55
CC[NH+](CC)CCCN(CC1=CC=C(Cl)C=C1)C(=O)NCC(C)C(=O)[O-]	REAL300013891641	0	56	0.0	-78.73	445.17	11.76	-66.97
CC(CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C(=O)[O-]	REAL300013891651	0	47	0.0	-85.64	368.70	5.90	-79.74
CC(CNC(=O)N1CCC([N@H+](C)CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013891655	0	51	0.0	-79.49	395.13	9.47	-70.02
CC(CNC(=O)N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013891655	1	51	0.0	-79.56	395.12	9.46	-70.10
CC(CNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013891658	0	50	0.0	-85.15	387.09	6.40	-78.75
CC[N@@H+]1CCCC(CN(C)C(=O)NCC(C)C(=O)[O-])C1C1=CN(C)N=C1	REAL300013891660	0	57	0.0	-70.05	412.27	7.56	-62.49
CC[N@H+]1CCCC(CN(C)C(=O)NCC(C)C(=O)[O-])C1C1=CN(C)N=C1	REAL300013891660	1	57	0.0	-69.18	421.75	8.21	-60.97
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC(C)C(=O)[O-]	REAL300013891662	0	54	0.0	-75.77	402.13	4.59	-71.18
CC(CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013891665	0	52	0.0	-78.07	379.09	5.05	-73.02
CC(CNC(=O)NCC1=CC=C[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300013891682	1	44	0.0	-71.61	339.54	5.51	-66.10
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCC(C)C(=O)[O-]	REAL300013891700	0	54	0.0	-77.30	400.19	10.70	-66.60
CC(C)[C@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCC(C)C(=O)[O-]	REAL300013891700	1	54	0.0	-77.75	391.46	9.39	-68.36
CC(CNC(=O)NC1(C[NH+]2CCN(C3=CC=CC=C3)CC2)CC1)C(=O)[O-]	REAL300013891706	0	54	0.0	-80.15	403.21	7.21	-72.94
CC(CNC(=O)NCC1C[N@H+](C)CCN1CC1=CC=CC=C1)C(=O)[O-]	REAL300013891766	1	53	0.0	-77.96	388.91	4.67	-73.29
CC(CNC(=O)NCC1C[N@@H+](C)CCN1CC1=CC=CC=C1)C(=O)[O-]	REAL300013891766	1	53	0.0	-77.01	404.70	6.12	-70.89
CC(CNC(=O)N1CCOC(CCC[NH+](C)C)C1)C(=O)[O-]	REAL300013891770	0	48	0.0	-74.89	364.47	6.08	-68.81
CC(CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)[O-]	REAL300013891777	1	50	0.0	-75.45	373.21	5.44	-70.01
CC(CNC(=O)NC1(C[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1)C(=O)[O-]	REAL300013891785	0	54	0.0	-84.20	410.52	7.28	-76.92
CC(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C(=O)[O-]	REAL300013891800	0	55	0.0	-79.68	419.35	9.08	-70.60
CC(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C(=O)[O-]	REAL300013891800	1	55	0.0	-79.96	419.09	9.07	-70.89
CC(CNC(=O)N(C)CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013891819	0	52	0.0	-75.55	395.09	6.81	-68.74
CC(CNC(=O)N(C)CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013891819	1	52	0.0	-66.98	394.49	6.64	-60.34
CC(CNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013891821	0	54	0.0	-75.31	412.67	8.78	-66.53
CC(CNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1)C(=O)[O-]	REAL300013891825	1	45	0.0	-73.42	366.34	4.98	-68.44
CCC1([NH+]2CCOCC2)CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013891842	0	52	0.0	-74.96	358.59	5.99	-68.97
CCC1([NH+]2CCCC2)CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013891870	0	51	0.0	-71.21	351.71	7.74	-63.47
CC(CNC(=O)NC(C[NH+](C)C)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300013891872	0	44	0.0	-64.21	374.11	7.61	-56.60
COCCN(CC1CC[NH+](C)CC1)C(=O)NCC(C)C(=O)[O-]	REAL300013891877	0	51	0.0	-69.75	376.42	6.95	-62.80
CC(CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013891879	0	49	0.0	-75.17	343.44	5.23	-69.94
CC(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013891889	0	51	0.0	-76.91	392.52	7.83	-69.08
CC(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013891889	1	51	0.0	-76.94	398.30	8.06	-68.88
CC(CNC(=O)NC1CCCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013891898	0	54	0.0	-76.99	393.02	8.65	-68.34
CC(CNC(=O)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013891898	1	54	0.0	-76.55	392.98	8.66	-67.89
CC(CNC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013891915	0	45	0.0	-87.52	351.50	5.14	-82.38
CC(CNC(=O)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013891960	0	51	0.0	-71.54	385.63	8.43	-63.11
CC(CNC(=O)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013891960	1	51	0.0	-69.98	375.66	7.74	-62.24
CC(CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013891969	0	51	0.0	-70.31	376.54	7.76	-62.55
CC(CNC(=O)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013891969	1	51	0.0	-70.54	384.57	8.40	-62.14
CC(CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013891971	0	50	0.0	-75.76	363.15	5.16	-70.60
CC(CNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)C(=O)[O-]	REAL300013891971	1	50	0.0	-77.86	363.40	5.29	-72.57
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC(=O)NCC(C)C(=O)[O-])C1	REAL300013891980	1	52	0.0	-77.25	402.01	6.53	-70.72
CC1=CC=CC=C1C[N@H+]1CCOC(CNC(=O)NCC(C)C(=O)[O-])C1	REAL300013891980	1	52	0.0	-76.43	400.74	6.60	-69.83
CC1=CC=C(C[N@H+]2CCC(NC(=O)NCC(C)C(=O)[O-])C2)C=C1	REAL300013891996	0	48	0.0	-76.05	374.64	7.40	-68.65
CC1=CC=C(C[N@@H+]2CCC(NC(=O)NCC(C)C(=O)[O-])C2)C=C1	REAL300013891996	1	48	0.0	-76.75	377.10	7.52	-69.23
CO[C@H]1C[C@@H](CNC(=O)NCC(C)C(=O)[O-])N(C2=CC(C)=[NH+]C=N2)C1	REAL300013892003	1	50	0.0	-77.59	393.38	3.51	-74.08
CC(CNC(=O)N(C)C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013892004	0	54	0.0	-65.08	404.20	10.40	-54.68
CC(CNC(=O)N(C)C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013892004	1	54	0.0	-66.33	393.53	9.82	-56.51
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCC(C)C(=O)[O-]	REAL300013892006	0	53	0.0	-75.37	386.52	9.04	-66.33
CC(CNC(=O)NC1CCC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013892029	0	54	0.0	-80.10	397.99	3.60	-76.50
CC(CNC(=O)NC1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013892029	1	54	0.0	-78.39	402.01	3.06	-75.33
CCC1=CC=C(C[NH+]2CCN(C(=O)NCC(C)C(=O)[O-])CC2)C=C1	REAL300013892042	1	51	0.0	-77.49	390.15	9.70	-67.79
CC(CNC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013892045	0	50	0.0	-79.55	386.99	5.51	-74.04
CC(CNC(=O)N1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013892046	1	48	0.0	-73.36	362.26	8.90	-64.46
CC(CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013892047	0	52	0.0	-75.23	366.19	4.20	-71.03
CCC1([NH+]2CCCCC2)CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013892051	0	54	0.0	-71.80	368.05	8.41	-63.39
CC(CNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013892071	0	58	0.0	-80.73	423.31	8.34	-72.39
CC(CNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013892071	1	58	0.0	-81.37	416.98	8.35	-73.02
CC(CNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013892076	0	55	0.0	-80.17	402.55	7.77	-72.40
CC(CNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013892076	1	55	0.0	-81.40	396.17	7.79	-73.61
CC(CNC(=O)N(C)C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013892087	0	54	0.0	-63.14	392.73	9.82	-53.32
CC(CNC(=O)N(C)C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013892087	1	54	0.0	-71.33	403.54	10.12	-61.21
CC(CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013892123	0	51	0.0	-72.40	352.53	7.66	-64.74
CC(CNC(=O)NCC1([N@H+](C)CC2=CC=CC=C2)CCCCC1)C(=O)[O-]	REAL300013892125	0	57	0.0	-70.68	404.46	9.78	-60.90
CC(CNC(=O)NCC1([N@@H+](C)CC2=CC=CC=C2)CCCCC1)C(=O)[O-]	REAL300013892125	1	57	0.0	-71.80	407.58	8.98	-62.82
CC(CNC(=O)N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1)C(=O)[O-]	REAL300013892127	0	52	0.0	-83.89	397.79	9.45	-74.44
CC(CNC(=O)N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1)C(=O)[O-]	REAL300013892127	1	52	0.0	-72.81	397.76	9.47	-63.34
CC(CNC(=O)NCC1([N@H+](C)CC2=CC=CC=C2)CCOCC1)C(=O)[O-]	REAL300013892142	0	55	0.0	-71.89	397.08	7.45	-64.44
CC(CNC(=O)NCC1([N@@H+](C)CC2=CC=CC=C2)CCOCC1)C(=O)[O-]	REAL300013892142	1	55	0.0	-73.45	397.46	7.33	-66.12
CC[N@@H+]1CCCN(C(=O)NCC(C)C(=O)[O-])CCOCC1	REAL300013892172	0	48	0.0	-68.54	348.82	5.90	-62.64
CC[N@H+]1CCCN(C(=O)NCC(C)C(=O)[O-])CCOCC1	REAL300013892172	1	48	0.0	-72.34	341.67	5.99	-66.35
CC(CNC(=O)NC1CCC[N@@H+]2CCSCC12)C(=O)[O-]	REAL300013892178	0	43	0.0	-75.86	334.29	5.62	-70.24
CC(CNC(=O)NC1CCC[N@H+]2CCSCC12)C(=O)[O-]	REAL300013892178	1	43	0.0	-76.23	335.21	5.66	-70.57
CC(CNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013892207	0	51	0.0	-73.24	357.82	6.70	-66.54
CC(CNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1)C(=O)[O-]	REAL300013892213	0	52	0.0	-79.54	389.06	10.00	-69.54
CC(CNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1)C(=O)[O-]	REAL300013892213	1	52	0.0	-79.41	388.05	9.44	-69.97
CC(CNC(=O)N1CCN(C2=CC=[NH+]C=C2)CC1C)C(=O)[O-]	REAL300013892223	0	44	0.0	-75.14	333.46	5.03	-70.11
CC(CNC(=O)NC(CC[NH+](C)C)C1=CC=CN=C1)C(=O)[O-]	REAL300013892239	0	46	0.0	-62.07	359.06	5.10	-56.97
CC(CNC(=O)N1CCN(C2=NC(N)=[NH+]C(C3CC3)=N2)CC1)C(=O)[O-]	REAL300013892284	1	48	0.0	-67.91	378.10	8.19	-59.72
CC(CNC(=O)N1CCN(C2=NC(N)=NC(C3CC3)=[NH+]2)CC1)C(=O)[O-]	REAL300013892284	1	48	0.0	-66.72	377.61	8.16	-58.56
CC(CNC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013892328	0	55	0.0	-78.77	432.42	10.17	-68.60
CC(CNC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013892328	1	55	0.0	-78.74	432.00	10.31	-68.43
CC[NH+](CC)CC(CC)(CC)NC(=O)NCC(C)C(=O)[O-]	REAL300013892334	0	52	0.0	-72.00	357.54	7.69	-64.31
CC(CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013892401	0	52	0.0	-76.10	364.09	4.96	-71.14
CC(CNC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013892418	0	52	0.0	-72.67	396.56	6.74	-65.93
CC(CNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013892419	0	54	0.0	-72.93	401.58	8.42	-64.51
CC(CNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013892419	1	54	0.0	-79.50	408.82	8.62	-70.88
CC(CNC(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013892447	0	55	0.0	-82.54	410.43	8.86	-73.68
CC(CNC(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013892447	1	55	0.0	-82.43	409.85	9.07	-73.36
CC(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1)C(=O)[O-]	REAL300013892462	1	48	0.0	-75.40	359.64	8.89	-66.51
CC(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1)C(=O)[O-]	REAL300013892462	1	48	0.0	-73.07	363.91	8.71	-64.36
CCN1CCN(C(=O)NCC(C)C(=O)[O-])CC[N@H+](CC)CC1	REAL300013892493	0	52	0.0	-77.23	356.09	5.39	-71.84
CCN1CCN(C(=O)NCC(C)C(=O)[O-])CC[N@@H+](CC)CC1	REAL300013892493	1	52	0.0	-77.65	356.24	5.40	-72.25
CC(CNC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013892498	0	44	0.0	-73.25	344.03	3.74	-69.51
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NCC(C)C(=O)[O-])CC1	REAL300013892507	0	55	0.0	-71.70	388.35	4.52	-67.18
CC[NH+](CC)CCC(NC(=O)NCC(C)C(=O)[O-])C1=CC=CC=C1	REAL300013892509	0	53	0.0	-74.86	403.35	8.84	-66.02
CC(CNC(=O)NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013892516	0	45	0.0	-82.11	362.77	5.26	-76.85
CC(CNC(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1)C(=O)[O-]	REAL300013892524	1	44	0.0	-70.29	342.63	6.26	-64.03
CC(CNC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300013892526	0	55	0.0	-83.73	440.17	10.35	-73.38
CC(CNC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300013892526	1	55	0.0	-83.80	439.91	10.40	-73.40
COC(=O)[C@]12CN(C(=O)NCC(C)C(=O)[O-])C[C@H]1C[N@H+](C)CC2	REAL300013892527	0	48	0.0	-71.25	362.70	6.69	-64.56
COC(=O)[C@]12CN(C(=O)NCC(C)C(=O)[O-])C[C@H]1C[N@@H+](C)CC2	REAL300013892527	1	48	0.0	-80.45	362.84	6.55	-73.90
CC(CNC(=O)NC1CC[NH+](CC2CCCO2)CC1)C(=O)[O-]	REAL300013892549	0	49	0.0	-72.41	369.54	4.98	-67.43
CC(CNC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013892556	1	50	0.0	-77.44	383.34	5.49	-71.95
CC(CNC(=O)NC1CC2CCCC(C1)[NH+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300013892574	0	55	0.0	-76.72	399.82	8.54	-68.18
CO[C@@H]1C[C@@H](CNC(=O)NCC(C)C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300013892577	0	52	0.0	-72.04	409.14	6.42	-65.62
CO[C@@H]1C[C@@H](CNC(=O)NCC(C)C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300013892577	1	52	0.0	-69.48	401.94	5.99	-63.49
CC(CNC(=O)NC1(C)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013892582	0	48	0.0	-77.89	369.91	7.18	-70.71
CC(CNC(=O)NC1(C)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013892582	1	48	0.0	-78.59	371.51	7.17	-71.42
CC(CNC(=O)N1CC[N@H+](CC2CN(C)CCO2)CC1C)C(=O)[O-]	REAL300013892606	1	54	0.0	-75.32	396.01	4.69	-70.63
CC(CNC(=O)N1CC[N@@H+](CC2CN(C)CCO2)CC1C)C(=O)[O-]	REAL300013892606	1	54	0.0	-74.92	393.31	4.47	-70.45
CC(CNC(=O)N1CCN(CC2C[N@H+](C)CCO2)CC1C)C(=O)[O-]	REAL300013892606	1	54	0.0	-77.28	381.58	4.22	-73.06
CC(CNC(=O)N1CCN(CC2C[N@@H+](C)CCO2)CC1C)C(=O)[O-]	REAL300013892606	1	54	0.0	-78.26	380.76	4.20	-74.06
CC(CNC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300013892612	0	51	0.0	-75.27	379.94	7.69	-67.58
CC(CNC(=O)N1CCCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013892633	0	49	0.0	-77.85	351.33	6.19	-71.66
CC(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013892634	1	48	0.0	-74.96	359.53	8.87	-66.09
CC(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013892634	1	48	0.0	-72.79	363.84	8.71	-64.08
COCC(COC)[NH+]1CCN(C(=O)NCC(C)C(=O)[O-])CC1	REAL300013892641	1	49	0.0	-71.29	365.66	5.44	-65.85
CC(CNC(=O)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013892647	1	48	0.0	-84.81	375.37	9.19	-75.62
CC(CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C(=O)[O-]	REAL300013892661	0	45	0.0	-74.70	348.49	5.17	-69.53
CC(C)C1CN(C(=O)NCC(C)C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013892665	0	54	0.0	-76.00	387.42	9.43	-66.57
CC(C)C1CN(C(=O)NCC(C)C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013892665	1	54	0.0	-72.55	395.76	9.94	-62.61
CC(CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C(=O)[O-]	REAL300013892679	0	54	0.0	-76.68	384.48	2.55	-74.13
CC[NH+]1CCC(N2CCCN(C(=O)NCC(C)C(=O)[O-])CC2)CC1	REAL300013892682	0	56	0.0	-74.97	396.03	7.56	-67.41
CCN1CCC([N@@H+]2CCCN(C(=O)NCC(C)C(=O)[O-])CC2)CC1	REAL300013892682	1	56	0.0	-76.81	391.90	6.91	-69.90
CCN1CCC([N@H+]2CCCN(C(=O)NCC(C)C(=O)[O-])CC2)CC1	REAL300013892682	1	56	0.0	-75.03	393.94	7.09	-67.94
CC(CNC(=O)N1CCCC([NH2+]C2CCOCC2)C1)C(=O)[O-]	REAL300013892700	0	49	0.0	-76.74	360.12	4.64	-72.10
CC(CNC(=O)NCC1=CC=C(C[NH+]2CCC(C(N)=O)CC2)C=C1)C(=O)[O-]	REAL300013892701	0	55	0.0	-90.39	430.70	4.86	-85.53
CC(CNC(=O)NC(C[NH+](C)C)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300013892702	0	47	0.0	-75.01	388.34	8.28	-66.73
CC(CNC(=O)NC1CC[NH+](CC2=CC=CC(Br)=C2)CC1)C(=O)[O-]	REAL300013892708	1	48	0.0	-80.64	392.98	8.15	-72.49
COC(=O)C1CN(C(=O)NCC(C)C(=O)[O-])CC[N@H+](C)C1	REAL300013892734	0	44	0.0	-75.66	336.20	6.26	-69.40
COC(=O)C1CN(C(=O)NCC(C)C(=O)[O-])CC[N@@H+](C)C1	REAL300013892734	1	44	0.0	-75.73	336.07	6.23	-69.50
CO[C@H]1C[C@@H](CNC(=O)NCC(C)C(=O)[O-])[N@H+](CC2=CC=CC=C2)C1	REAL300013892736	0	52	0.0	-74.10	402.41	6.55	-67.55
CO[C@H]1C[C@@H](CNC(=O)NCC(C)C(=O)[O-])[N@@H+](CC2=CC=CC=C2)C1	REAL300013892736	1	52	0.0	-72.86	402.09	5.99	-66.87
CC(C)[NH+]1CCN(C2CCN(C(=O)NCC(C)C(=O)[O-])C2)CC1	REAL300013892740	0	53	0.0	-74.40	385.23	5.51	-68.89
COCC[N@H+]1[C@H](C)CN(C(=O)NCC(C)C(=O)[O-])C[C@@H]1C	REAL300013892774	0	48	0.0	-72.01	347.60	5.58	-66.43
COCC[N@@H+]1[C@H](C)CN(C(=O)NCC(C)C(=O)[O-])C[C@@H]1C	REAL300013892774	1	48	0.0	-71.93	347.97	5.02	-66.91
CC(CNC(=O)N(C)CC1=CC=C(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C=C1)C(=O)[O-]	REAL300013892787	0	58	0.0	-76.00	444.97	9.67	-66.33
CC(CNC(=O)N(C)CC1=CC=C(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C=C1)C(=O)[O-]	REAL300013892787	1	58	0.0	-74.95	437.76	9.68	-65.27
CC(CNC(=O)N1CN(CC[NH+](C)C)C(=O)C1C)C(=O)[O-]	REAL300013892813	0	45	0.0	-78.99	354.82	5.59	-73.40
CC(CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C(=O)[O-]	REAL300013892814	0	51	0.0	-74.97	388.28	4.21	-70.76
CC(CNC(=O)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300013892816	0	44	0.0	-75.30	363.54	5.46	-69.84
CC(CNC(=O)NC1(C2=CC=CC=C2)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013892818	0	55	0.0	-80.62	422.99	10.00	-70.62
CC(CNC(=O)NC1(C2=CC=CC=C2)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013892818	1	55	0.0	-80.95	422.77	9.83	-71.12
CC(CNC(=O)N1CC2=CC=C[NH+]=C2N2C[C@H](O)C[C@H]2C1)C(=O)[O-]	REAL300013892832	1	46	0.0	-70.45	349.92	3.29	-67.16
CO[C@@H]1C[C@@H]2CN(C(=O)NCC(C)C(=O)[O-])CC3=CC=C[NH+]=C3N2C1	REAL300013892833	1	49	0.0	-73.75	372.93	5.80	-67.95
COC1CC2CN(C(=O)NCC(C)C(=O)[O-])CC3=CC=C[NH+]=C3N2C1	REAL300013892840	1	49	0.0	-69.22	371.00	5.65	-63.57
CC(CNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1)C(=O)[O-]	REAL300013892850	1	45	0.0	-68.66	338.02	6.73	-61.93
CC(CNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1)C(=O)[O-]	REAL300013892851	1	45	0.0	-68.71	338.73	6.80	-61.91
CC(CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C(=O)[O-]	REAL300013892855	0	45	0.0	-77.17	355.64	1.46	-75.71
CC(CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C(=O)[O-]	REAL300013892855	1	45	0.0	-81.28	349.80	0.95	-80.33
CC(CNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013892859	0	48	0.0	-81.51	377.49	7.28	-74.23
CC(CNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013892859	1	48	0.0	-77.07	375.23	7.31	-69.76
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)NCC(C)C(=O)[O-]	REAL300013892863	0	55	0.0	-77.38	431.65	7.45	-69.93
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)NCC(C)C(=O)[O-]	REAL300013892863	1	55	0.0	-76.68	432.31	7.39	-69.29
CC(CNC(=O)NC[C@H]1CCC[N@H+](C2CC2)[C@@H]1C1=CN=CN1C)C(=O)[O-]	REAL300013892872	0	55	0.0	-78.00	409.80	7.57	-70.43
CC(CNC(=O)NC[C@H]1CCC[N@@H+](C2CC2)[C@@H]1C1=CN=CN1C)C(=O)[O-]	REAL300013892872	1	55	0.0	-75.48	411.73	8.21	-67.27
CC(CNC(=O)N1CCN2N=CC(C[NH+](C)C)=C2C1)C(=O)[O-]	REAL300013892879	0	45	0.0	-80.00	352.07	5.84	-74.16
CC(CNC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(F)(F)F)C(=O)[O-]	REAL300013892889	1	48	0.0	-81.20	394.93	7.77	-73.43
CC(CNC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(F)(F)F)C(=O)[O-]	REAL300013892889	1	48	0.0	-81.56	393.60	7.78	-73.78
CC(CNC(=O)N[C@]1(C)C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013892898	0	58	0.0	-69.54	438.15	10.49	-59.05
CC(CNC(=O)N[C@]1(C)C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013892898	1	58	0.0	-71.21	439.68	10.29	-60.92
CC(CNC(=O)N1CC23C[NH+](C)CC2(C1)CCCC3)C(=O)[O-]	REAL300013892939	0	49	0.0	-70.93	355.36	7.25	-63.68
CC(C)[NH+]1CCN(C2(CNC(=O)NCC(C)C(=O)[O-])CCCC2)CC1	REAL300013892989	0	59	0.0	-72.59	413.44	5.62	-66.97
CC(C)N1CC[NH+](C2(CNC(=O)NCC(C)C(=O)[O-])CCCC2)CC1	REAL300013892989	1	59	0.0	-68.02	415.25	5.72	-62.30
COCC(C)(CNC(=O)NCC(C)C(=O)[O-])N1CC[NH+](C(C)C)CC1	REAL300013892993	0	59	0.0	-72.16	423.87	4.71	-67.45
CC(C)C(CNC(=O)N1CCC(CC[NH+](C)C)CC1)C(=O)[O-]	REAL300013894003	0	53	0.0	-73.61	387.66	8.58	-65.03
CC(C)C(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013894023	0	57	0.0	-70.95	431.17	9.41	-61.54
CC(C)C(CNC(=O)NCC1=CC(C[N@@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300013894024	1	58	0.0	-72.97	446.07	7.70	-65.27
CC(C)C(CNC(=O)NCC1=CC(C[N@H+]2CCOC(C)C2)=CC=C1)C(=O)[O-]	REAL300013894024	1	58	0.0	-69.32	446.07	7.72	-61.60
CC(C)C(CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013894029	0	60	0.0	-66.98	433.02	9.16	-57.82
CC(C)C(CNC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)C(=O)[O-]	REAL300013894042	0	54	0.0	-58.17	420.76	7.33	-50.84
CC(C)C(CNC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300013894045	0	54	0.0	-67.70	413.81	8.08	-59.62
CC(C)C(CNC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)C(=O)[O-]	REAL300013894045	1	54	0.0	-65.79	415.62	8.70	-57.09
CC(C)C(CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)C(=O)[O-]	REAL300013894046	0	54	0.0	-70.18	421.54	8.50	-61.68
COC1=CC=C(C[NH+]2CCC(CNC(=O)NCC(C(=O)[O-])C(C)C)CC2)C=C1	REAL300013894047	0	61	0.0	-74.86	460.66	8.71	-66.15
CC(C)C(CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C(=O)[O-]	REAL300013894055	1	54	0.0	-69.12	401.27	5.59	-63.53
CC(C)C(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013894056	0	57	0.0	-66.18	436.58	9.40	-56.78
CC(C)C(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013894056	1	57	0.0	-61.21	435.78	10.25	-50.96
CCOCC[NH+]1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013894062	1	51	0.0	-61.31	376.39	6.79	-54.52
CC(C)C(CNC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013894071	0	53	0.0	-64.41	398.99	8.12	-56.29
CC(C)C(CNC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013894071	1	53	0.0	-60.63	393.34	8.18	-52.45
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013894076	0	59	0.0	-54.02	410.40	8.25	-45.77
CCC1CCC[N@H+](C(C)(C)CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013894076	1	59	0.0	-55.03	403.54	8.20	-46.83
CC(C)C(CNC(=O)NCCCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300013894087	0	56	0.0	-66.73	411.06	8.22	-58.51
CCC1=NC(C[NH+]2CCC(CNC(=O)NCC(C(=O)[O-])C(C)C)CC2)=CS1	REAL300013894088	1	59	0.0	-67.00	454.86	8.33	-58.67
COC1=CC=CC=C1C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]1CCCCC1	REAL300013894099	0	61	0.0	-51.96	440.72	9.68	-42.28
CC(C)C(CNC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013894100	0	50	0.0	-60.10	379.21	8.59	-51.51
CC(C)C(CNC(=O)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C(=O)[O-]	REAL300013894107	1	54	0.0	-77.13	417.73	8.98	-68.15
CC(C)C(CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300013894117	0	53	0.0	-60.03	375.33	6.69	-53.34
CC(C)C(CNC(=O)NCC(C)C[NH+]1CCCCC1)C(=O)[O-]	REAL300013894120	0	53	0.0	-66.52	390.13	7.33	-59.19
CC(C)C(CNC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013894142	0	55	0.0	-65.64	425.93	6.22	-59.42
CC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300013894144	0	57	0.0	-61.59	430.13	9.29	-52.30
CC(C)C(CNC(=O)NCC(C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013894145	0	53	0.0	-58.58	378.13	7.10	-51.48
CC[NH+]1CCN(C2=CC(CNC(=O)NCC(C(=O)[O-])C(C)C)=CC=N2)CC1	REAL300013894155	0	58	0.0	-68.61	436.03	6.87	-61.74
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300013894159	0	60	0.0	-71.39	442.88	9.55	-61.84
CC(C)C(CNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C(=O)[O-]	REAL300013894160	0	60	0.0	-68.79	436.13	9.70	-59.09
CC(C)C(CNC(=O)NCC1C[N@H+](C)CCN1C)C(=O)[O-]	REAL300013894170	0	49	0.0	-63.16	351.09	3.32	-59.84
CC(C)C(CNC(=O)NCC1C[N@@H+](C)CCN1C)C(=O)[O-]	REAL300013894170	1	49	0.0	-67.29	351.29	3.29	-64.00
CC(C)C(CNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013894174	0	58	0.0	-70.00	447.12	8.38	-61.62
CC(C)C(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C)C(=O)[O-]	REAL300013894178	1	54	0.0	-66.93	396.14	10.34	-56.59
CC(C)C(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C)C(=O)[O-]	REAL300013894178	1	54	0.0	-63.90	400.67	10.02	-53.88
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCC(C(=O)[O-])C(C)C)CC2)=N1	REAL300013894187	1	59	0.0	-67.73	446.00	6.05	-61.68
CC(C)C(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013894193	0	60	0.0	-57.17	437.22	10.98	-46.19
CC(C)C(CNC(=O)NCC1([NH+](C)C)CCCC(C)C1)C(=O)[O-]	REAL300013894201	0	56	0.0	-59.69	391.39	7.24	-52.45
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300013894211	0	63	0.0	-60.56	457.32	11.25	-49.31
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300013894211	1	63	0.0	-57.91	461.70	10.78	-47.13
CC(C)C(CNC(=O)N1CC[NH+](CCC2=CC=CS2)CC1)C(=O)[O-]	REAL300013894228	1	51	0.0	-68.19	398.80	9.40	-58.79
COC1=CC=C(N2CC[NH+](CCNC(=O)NCC(C(=O)[O-])C(C)C)CC2)C=C1	REAL300013894238	1	60	0.0	-70.50	451.60	5.96	-64.54
CCCC[NH+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013894240	0	53	0.0	-67.83	394.98	7.32	-60.51
CC(C)C(CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013894245	0	59	0.0	-67.78	423.13	5.42	-62.36
CC(C)C(CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C(=O)[O-]	REAL300013894285	0	58	0.0	-56.33	406.96	8.30	-48.03
CC(C)C(CNC(=O)NCC[NH+]1CCSCC1)C(=O)[O-]	REAL300013894291	1	45	0.0	-68.05	352.38	5.52	-62.53
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1)C(=O)[O-]	REAL300013894303	0	60	0.0	-58.65	434.58	10.44	-48.21
CC(C)C(CNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013894346	1	58	0.0	-68.08	434.24	3.99	-64.09
CC(C)C(CNC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013894366	0	56	0.0	-76.58	428.72	7.82	-68.76
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013894377	0	59	0.0	-58.93	416.65	9.39	-49.54
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013894377	1	59	0.0	-74.46	427.96	9.67	-64.79
CC(C)C(CNC(=O)N(CCC[NH+]1CCOCC1)CC1=CC=NC=C1)C(=O)[O-]	REAL300013894390	1	60	0.0	-67.37	451.37	8.96	-58.41
CC(C)C(CNC(=O)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1)C(=O)[O-]	REAL300013894393	0	55	0.0	-68.09	409.93	10.61	-57.48
CC(C)C(CNC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)C(=O)[O-]	REAL300013894402	0	56	0.0	-61.63	409.63	7.69	-53.94
CC(C)C(CNC(=O)NCC1([NH2+]C(C)C2=CC=CC=C2)CCCC1)C(=O)[O-]	REAL300013894403	0	60	0.0	-62.88	439.58	8.57	-54.31
CCC(CC)(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300013894404	0	62	0.0	-61.94	445.37	8.70	-53.24
CCC1CCCC[N@@H+]1CCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013894407	0	53	0.0	-58.06	375.40	6.62	-51.44
CCC1CCCC[N@H+]1CCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013894407	1	53	0.0	-61.34	388.14	6.87	-54.47
CC(C)C(CNC(=O)N(C)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013894412	0	57	0.0	-71.24	424.30	10.76	-60.48
CC(C)C(CNC(=O)NC(C)C1=CC(F)=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013894422	0	59	0.0	-74.81	451.15	8.33	-66.48
CC(C)C(CNC(=O)N1CCC[N@H+](CCCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013894424	0	60	0.0	-63.48	444.10	12.34	-51.14
CC(C)C(CNC(=O)N1CCC[N@@H+](CCCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013894424	1	60	0.0	-66.53	438.84	12.50	-54.03
CC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]2CCCC2)O1	REAL300013894462	0	54	0.0	-56.97	408.51	7.66	-49.31
COCCC[NH+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013894489	0	54	0.0	-69.72	407.59	5.64	-64.08
CCC[NH+]1CCC(N(C)C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013894493	0	53	0.0	-68.61	386.89	8.61	-60.00
CC(C)C(CNC(=O)N(C)C1CC[NH+](CCC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013894494	0	59	0.0	-71.93	440.99	9.85	-62.08
CC(C)C(CNC(=O)N(C)C1CC[NH+](CCC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013894495	0	59	0.0	-78.23	441.24	9.84	-68.39
CC(C)C(CNC(=O)N1CCC(C[N@H+](C)CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013894508	0	60	0.0	-72.73	437.41	11.70	-61.03
CC(C)C(CNC(=O)N1CCC(C[N@@H+](C)CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013894508	1	60	0.0	-72.73	437.40	11.70	-61.03
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013894519	0	56	0.0	-69.90	424.72	10.67	-59.23
CC(C)C(CNC(=O)NCC1=CC=CC(C(=O)NCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013894520	0	57	0.0	-79.68	443.26	6.14	-73.54
CC(C)C(CNC(=O)N1CCCC1C[NH+]1CCCC1)C(=O)[O-]	REAL300013894538	0	51	0.0	-59.20	370.30	7.91	-51.29
CC(C)C(CNC(=O)NC(CN1CC[NH+](C)CC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013894549	0	59	0.0	-69.16	449.80	7.74	-61.42
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013894554	0	61	0.0	-71.22	465.46	7.24	-63.98
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013894554	1	61	0.0	-73.16	472.14	7.11	-66.05
CC(C)C(CNC(=O)NCC1=CC(C[NH+]2CCC(C)CC2)=CC=C1)C(=O)[O-]	REAL300013894562	0	60	0.0	-71.14	454.38	9.98	-61.16
CCC[NH+](CCC)CCCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013894563	0	55	0.0	-64.17	403.98	7.64	-56.53
CC(C)C(CNC(=O)NCC1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300013894568	0	59	0.0	-67.61	450.58	6.93	-60.68
CC(C)C(CNC(=O)NCC1=CC=CC(C[NH+]2CCN(C)CC2)=C1)C(=O)[O-]	REAL300013894568	1	59	0.0	-69.79	443.78	6.95	-62.84
CC(C)C(CNC(=O)N1CCCC(C[NH+]2CCC(C)CC2)C1)C(=O)[O-]	REAL300013894594	0	60	0.0	-63.60	423.53	10.58	-53.02
CC(C)C(CNC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013894603	0	57	0.0	-61.89	416.46	8.98	-52.91
CC(C)C(CNC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013894603	1	57	0.0	-59.97	416.23	9.07	-50.90
CC(C)C(CNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)C(=O)[O-]	REAL300013894618	1	54	0.0	-69.96	418.52	7.89	-62.07
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013894620	0	59	0.0	-52.71	426.62	11.17	-41.54
CC(C)C(CNC(=O)N(CCCC1=CC=CC=C1)CC[NH+](C)C)C(=O)[O-]	REAL300013894625	0	59	0.0	-59.72	449.96	11.73	-47.99
CC(C)C(CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013894636	0	55	0.0	-70.88	406.05	7.50	-63.38
CC(C)C(CNC(=O)NCC1=CC=C(OCCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013894639	0	57	0.0	-74.68	444.42	7.95	-66.73
CC(C)C(CNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013894641	0	57	0.0	-69.77	431.66	9.59	-60.18
CC(C)C(CNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013894641	1	57	0.0	-71.38	438.17	9.46	-61.92
CC(C)C(CNC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013894665	0	54	0.0	-60.51	394.75	8.67	-51.84
CC(C)C(CNC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013894665	1	54	0.0	-61.45	397.08	8.61	-52.84
CC(C)C(CNC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013894666	1	51	0.0	-61.87	386.73	8.06	-53.81
CC(C)C(CNC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)C(=O)[O-]	REAL300013894666	1	51	0.0	-61.86	387.71	7.71	-54.15
CC(C)C(CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)C(=O)[O-]	REAL300013894685	0	57	0.0	-67.31	407.75	9.88	-57.43
CC(C)C(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300013894686	0	53	0.0	-56.70	421.01	10.58	-46.12
CC(C)C(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300013894687	0	53	0.0	-54.83	404.41	10.27	-44.56
CC(C)C(CNC(=O)N(CC[NH+](C)C)CC1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300013894688	0	53	0.0	-57.37	417.52	10.54	-46.83
CC(C)C(CNC(=O)N(CC[NH+](C)C)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300013894689	0	53	0.0	-63.26	410.39	10.52	-52.74
CC(C)C(CNC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013894697	0	56	0.0	-55.33	423.10	7.35	-47.98
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013894700	0	57	0.0	-68.85	413.40	7.45	-61.40
CC(C)C(CNC(=O)NCC1=CC=C[NH+]=C1N1CCC(C(N)=O)CC1)C(=O)[O-]	REAL300013894712	1	57	0.0	-82.07	438.83	3.60	-78.47
CC(C)C(CNC(=O)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300013894714	0	60	0.0	-72.52	452.87	7.98	-64.54
CC(C)C(CNC(=O)N1CCN(CC[N@H+](C)CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013894721	0	62	0.0	-74.06	459.45	9.17	-64.89
CC(C)C(CNC(=O)N1CCN(CC[N@@H+](C)CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013894721	1	62	0.0	-74.26	459.39	9.17	-65.09
CC(C)C(CNC(=O)NCCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013894723	0	57	0.0	-69.23	435.38	8.18	-61.05
CC(C)C(CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C(=O)[O-]	REAL300013894748	0	53	0.0	-54.79	364.95	8.67	-46.12
CC(C)C(CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C(=O)[O-]	REAL300013894748	1	53	0.0	-55.87	372.27	8.51	-47.36
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013894756	0	53	0.0	-68.45	403.44	8.32	-60.13
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013894756	1	53	0.0	-70.35	409.69	8.15	-62.20
COC1=CC=[NH+]C(N2CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)=C1	REAL300013894762	0	51	0.0	-63.93	380.68	6.12	-57.81
CC(C)C(CNC(=O)NCC1C[N@@H+]2CCCC2CO1)C(=O)[O-]	REAL300013894768	0	49	0.0	-63.98	364.67	4.80	-59.18
CC(C)C(CNC(=O)NCC1C[N@H+]2CCCC2CO1)C(=O)[O-]	REAL300013894768	1	49	0.0	-64.42	365.11	4.55	-59.87
CC(C)C(CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C(=O)[O-]	REAL300013894771	0	58	0.0	-61.88	416.14	6.89	-54.99
CC(C)C(CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C(=O)[O-]	REAL300013894771	1	58	0.0	-62.58	421.68	6.77	-55.81
CC(C)C(CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013894771	1	58	0.0	-69.40	421.74	6.87	-62.53
CC(C)C(CNC(=O)N1CCCC1C[NH+]1CCCCC1)C(=O)[O-]	REAL300013894773	0	54	0.0	-56.12	381.18	8.92	-47.20
CC(C)C(CNC(=O)N1CCCC1C[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013894775	1	58	0.0	-56.70	414.03	8.10	-48.60
CC(C)C(CNC(=O)NCC1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300013894777	0	53	0.0	-62.43	382.65	7.15	-55.28
CC(C)C(CNC(=O)NCC1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300013894777	1	53	0.0	-61.02	375.81	7.12	-53.90
CC(C)C(CNC(=O)N1CCN(CC[NH+]2C(C)CCC2C)CC1)C(=O)[O-]	REAL300013894778	0	62	0.0	-64.81	430.66	7.59	-57.22
CC(C)C(CNC(=O)N(C)CC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013894780	0	53	0.0	-68.77	408.63	9.90	-58.87
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300013894783	0	58	0.0	-73.48	438.35	6.16	-67.32
CC[NH+](CC)CCN(CCOC)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013894784	0	56	0.0	-57.56	413.83	7.54	-50.02
COCCN(CC[NH+](C)C)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013894786	0	50	0.0	-59.09	376.20	6.59	-52.50
CC(C)C(CNC(=O)N1CCCC([NH+]2CCCC2)C1)C(=O)[O-]	REAL300013894816	0	51	0.0	-61.79	366.03	8.32	-53.47
CC(C)C(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(=O)[O-]	REAL300013894867	0	55	0.0	-57.07	388.52	5.41	-51.66
CC(C)C(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013894873	0	57	0.0	-59.55	409.08	10.58	-48.97
CC(C)C(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013894873	1	57	0.0	-59.52	414.23	10.46	-49.06
C=C(C)C[NH+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013894881	0	51	0.0	-66.61	386.16	6.98	-59.63
CCCN(C(=O)NCC(C(=O)[O-])C(C)C)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013894948	0	63	0.0	-58.92	438.82	12.69	-46.23
CCCN(C(=O)NCC(C(=O)[O-])C(C)C)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013894948	1	63	0.0	-57.90	444.84	12.50	-45.40
CC[NH+]1CCN(C2CCN(C(=O)NCC(C(=O)[O-])C(C)C)C2)CC1	REAL300013894969	0	56	0.0	-68.32	404.59	6.42	-61.90
CC(C)C(CNC(=O)NC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013894973	0	52	0.0	-58.43	388.32	4.39	-54.04
CC(C)C(CNC(=O)NC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013894973	1	52	0.0	-57.26	382.20	4.57	-52.69
CC(C)C(CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C(=O)[O-]	REAL300013894974	0	57	0.0	-66.05	439.47	9.97	-56.08
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C=C2F)CC1	REAL300013894975	0	59	0.0	-71.91	447.25	7.81	-64.10
CC(C)C(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC=N1)C(=O)[O-]	REAL300013894981	0	52	0.0	-68.77	401.19	8.27	-60.50
CC(C)C(CNC(=O)NCC[NH+]1C(C)CCCC1C)C(=O)[O-]	REAL300013894997	0	53	0.0	-58.24	376.36	6.56	-51.68
CC(C)C(CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)C(=O)[O-]	REAL300013895011	1	55	0.0	-73.32	424.86	6.96	-66.36
CC(C)C(CNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013895015	0	53	0.0	-75.75	406.33	6.99	-68.76
CC[NH+](CC)C1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013895022	0	53	0.0	-63.83	369.17	8.18	-55.65
CC(C)C(CNC(=O)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013895039	0	62	0.0	-71.21	458.81	8.37	-62.84
CC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300013895068	0	53	0.0	-56.06	394.91	9.23	-46.83
COCC[NH+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013895078	0	51	0.0	-63.39	378.35	5.15	-58.24
CC(C)C(CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013895088	0	57	0.0	-59.48	419.11	9.73	-49.75
CC(C)C(CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013895088	1	57	0.0	-60.41	419.04	9.74	-50.67
CC(C)C(CNC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013895090	0	57	0.0	-68.34	424.29	9.36	-58.98
CC(C)C(CNC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013895090	1	57	0.0	-68.83	431.16	9.39	-59.44
CC(C)C(CNC(=O)N1CCCC([NH+]2CCCCC2)C1)C(=O)[O-]	REAL300013895092	0	54	0.0	-59.76	380.42	9.02	-50.74
COC1CC[NH+](C(C)(C)CNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013895093	0	57	0.0	-62.05	410.17	5.90	-56.15
COC1CC[NH+](C2(CNC(=O)NCC(C(=O)[O-])C(C)C)CCCC2)CC1	REAL300013895094	0	61	0.0	-56.92	426.71	7.02	-49.90
CC(C)C(CNC(=O)N1CCC([NH+]2CCCCC2)C1)C(=O)[O-]	REAL300013895097	0	51	0.0	-63.12	369.22	8.20	-54.92
COCC[NH+]1CCC(CNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013895101	0	54	0.0	-67.14	404.92	5.68	-61.46
CCCC[N@@H+]1CCCCC1CNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013895116	0	56	0.0	-61.56	408.48	8.24	-53.32
CCCC[N@H+]1CCCCC1CNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013895116	1	56	0.0	-56.72	403.20	8.34	-48.38
CC(C)C(CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013895120	0	64	0.0	-63.47	435.09	8.20	-55.27
CC(C)C(CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(=O)[O-]	REAL300013895120	1	64	0.0	-57.14	438.31	7.37	-49.77
CC(C)C(CNC(=O)NCC1([N@H+](C)CC2=CC=CC=C2)CCC1)C(=O)[O-]	REAL300013895143	0	57	0.0	-61.45	421.12	9.34	-52.11
CC(C)C(CNC(=O)NCC1([N@@H+](C)CC2=CC=CC=C2)CCC1)C(=O)[O-]	REAL300013895143	1	57	0.0	-62.96	422.83	8.90	-54.06
CC(C)C(CNC(=O)NC1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013895166	0	55	0.0	-69.82	401.02	6.02	-63.80
CC(C)C(CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)C(=O)[O-]	REAL300013895172	0	55	0.0	-65.46	393.46	7.56	-57.90
CC(C)C(CNC(=O)NCCCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013895175	0	55	0.0	-66.92	406.49	4.90	-62.02
CC(C)C(CNC(=O)NCCCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013895175	1	55	0.0	-70.39	413.14	4.89	-65.50
CC(C)C(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013895185	1	54	0.0	-67.28	400.60	9.98	-57.30
CC(C)C(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013895185	1	54	0.0	-63.94	400.70	10.03	-53.91
CC(C)C(CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013895205	0	61	0.0	-64.12	421.45	7.17	-56.95
CC[N@@H+]1CCC2CCC(C1)N2C(=O)NCC(C(=O)[O-])C(C)C	REAL300013895221	0	51	0.0	-61.17	354.90	8.65	-52.52
CC[N@H+]1CCC2CCC(C1)N2C(=O)NCC(C(=O)[O-])C(C)C	REAL300013895221	1	51	0.0	-61.71	356.14	8.69	-53.02
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013895232	0	55	0.0	-59.90	418.17	9.87	-50.03
CC(C)C(CNC(=O)N(CC[NH+](C)C)CC1=CC=CS1)C(=O)[O-]	REAL300013895234	0	50	0.0	-63.13	398.72	9.44	-53.69
CC(C)C(CNC(=O)N1CCCC12CC[NH+](C)CC2)C(=O)[O-]	REAL300013895270	0	51	0.0	-49.47	356.33	7.42	-42.05
CC(C)C(CNC(=O)N1CC[N@H+](CC(C)(C)O)CC1C)C(=O)[O-]	REAL300013895284	0	54	0.0	-61.38	383.13	5.82	-55.56
CC(C)C(CNC(=O)N1CC[N@@H+](CC(C)(C)O)CC1C)C(=O)[O-]	REAL300013895284	1	54	0.0	-66.34	389.95	5.95	-60.39
CC(C)C(CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013895310	0	55	0.0	-64.84	392.03	7.56	-57.28
CC(C)C(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013895313	0	60	0.0	-64.31	439.77	10.41	-53.90
CC(C)C(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1(C)C)C(=O)[O-]	REAL300013895313	1	60	0.0	-68.96	441.02	10.11	-58.85
CC(C)C(CNC(=O)NC(C)(C)CCC[NH+](C)C)C(=O)[O-]	REAL300013895331	0	52	0.0	-72.16	381.18	6.41	-65.75
CC(C)C(CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C(=O)[O-]	REAL300013895335	0	51	0.0	-59.74	355.35	3.81	-55.93
CC(C)C(CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C(=O)[O-]	REAL300013895335	1	51	0.0	-59.98	363.22	4.31	-55.67
CC(C)C(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1)C(=O)[O-]	REAL300013895348	0	57	0.0	-67.38	417.82	10.95	-56.43
CC(C)C(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1)C(=O)[O-]	REAL300013895348	1	57	0.0	-58.24	410.48	10.94	-47.30
CC(C)C(CNC(=O)N(CC[NH+](C)C)CC1CCCCC1)C(=O)[O-]	REAL300013895355	0	59	0.0	-63.96	429.91	10.27	-53.69
CC(C)C(CNC(=O)NCCCCCCC[NH+](C)C)C(=O)[O-]	REAL300013895356	0	55	0.0	-68.68	412.88	7.94	-60.74
COCC[N@@H+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013895357	0	48	0.0	-62.42	361.03	4.66	-57.76
COCC[N@H+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013895357	1	48	0.0	-61.46	362.91	4.32	-57.14
CC(C)C(CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013895369	0	55	0.0	-66.30	382.78	7.73	-58.57
CC(C)C(CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013895369	1	55	0.0	-68.58	388.64	7.59	-60.99
CC(C)C(CNC(=O)N(C)C1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013895371	0	60	0.0	-63.03	424.85	11.25	-51.78
CC(C)C(CNC(=O)N(C)C1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013895371	1	60	0.0	-69.61	434.13	10.93	-58.68
CC(C)C(CNC(=O)N1CCCC([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013895373	0	54	0.0	-62.42	379.70	9.31	-53.11
CC(C)C(CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(=O)[O-]	REAL300013895376	0	54	0.0	-54.76	376.00	9.77	-44.99
CC(C)C(CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)C(=O)[O-]	REAL300013895376	1	54	0.0	-54.62	376.83	9.78	-44.84
CC(C)C(CNC(=O)N(C)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013895381	1	59	0.0	-66.78	439.20	9.02	-57.76
CC(C)C(CNC(=O)NCC(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300013895382	1	51	0.0	-66.25	375.25	5.08	-61.17
CC(C)C(CNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1)C(=O)[O-]	REAL300013895387	0	63	0.0	-60.79	441.30	10.61	-50.18
CC(C)C(CNC(=O)NC(C)C(C)(C)C[NH+](C)C)C(=O)[O-]	REAL300013895405	0	52	0.0	-68.97	371.48	6.64	-62.33
CC(C)C(CNC(=O)N(C)CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013895435	0	59	0.0	-69.87	433.94	8.68	-61.19
CC[N@H+](CCC1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1)CC1CC1	REAL300013895446	0	63	0.0	-71.62	456.05	11.51	-60.11
CC[N@@H+](CCC1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1)CC1CC1	REAL300013895446	1	63	0.0	-72.61	456.19	11.49	-61.12
CC(C)C(CNC(=O)N1CC[N@H+](CC(C)(C)O)C(C)C1)C(=O)[O-]	REAL300013895465	0	54	0.0	-58.35	383.60	5.19	-53.16
CC(C)C(CNC(=O)N1CC[N@@H+](CC(C)(C)O)C(C)C1)C(=O)[O-]	REAL300013895465	1	54	0.0	-63.38	385.92	5.78	-57.60
CC(C)C(CNC(=O)NCC[N@@H+]1CCCOCC1)C(=O)[O-]	REAL300013895476	0	48	0.0	-62.46	350.68	4.22	-58.24
CC(C)C(CNC(=O)NCC[N@H+]1CCCOCC1)C(=O)[O-]	REAL300013895476	1	48	0.0	-67.13	355.42	3.91	-63.22
CC(C)C(CNC(=O)NC(C[NH+](C)C)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300013895503	0	50	0.0	-61.76	402.14	8.27	-53.49
CC(C)C(CNC(=O)N1CC[NH+](C[C@H](C)O)CC1)C(=O)[O-]	REAL300013895504	1	48	0.0	-59.01	353.36	4.15	-54.86
CC(C)C(CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)C(=O)[O-]	REAL300013895505	1	48	0.0	-59.60	353.28	4.20	-55.40
CC(C)C(CNC(=O)N1CC[N@@H+](CC(C)O)CC1C)C(=O)[O-]	REAL300013895506	0	51	0.0	-62.96	373.22	4.65	-58.31
CC(C)C(CNC(=O)N1CC[N@H+](CC(C)O)CC1C)C(=O)[O-]	REAL300013895506	1	51	0.0	-57.10	368.96	4.93	-52.17
CC(C)C(CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C(=O)[O-]	REAL300013895507	0	51	0.0	-60.25	365.82	4.30	-55.95
CC(C)C(CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C(=O)[O-]	REAL300013895507	1	51	0.0	-62.69	364.27	4.62	-58.07
CC(C)C(CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013895527	0	58	0.0	-75.50	420.54	8.04	-67.46
CC(C)C(CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)[O-]	REAL300013895539	0	62	0.0	-56.91	407.00	9.44	-47.47
CC(C)C(CNC(=O)NCCC[N@@H+]1CCCC1C(=O)N(C)C)C(=O)[O-]	REAL300013895565	0	57	0.0	-70.93	430.23	5.87	-65.06
CC(C)C(CNC(=O)NCCC[N@H+]1CCCC1C(=O)N(C)C)C(=O)[O-]	REAL300013895565	1	57	0.0	-69.81	433.06	5.91	-63.90
CC(C)C(CNC(=O)N1CCC([N@H+](C)CCCO)CC1)C(=O)[O-]	REAL300013895566	0	54	0.0	-71.01	394.35	5.09	-65.92
CC(C)C(CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)C(=O)[O-]	REAL300013895566	1	54	0.0	-71.03	394.35	5.09	-65.94
CC(C)C(CNC(=O)NCC1(O)CC[NH+](C)CC1)C(=O)[O-]	REAL300013895574	0	48	0.0	-69.22	360.93	2.97	-66.25
COC1=CC(OC)=CC(C[N@@H+]2CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C2)=C1	REAL300013895582	1	59	0.0	-70.61	453.75	6.68	-63.93
COC1=CC(OC)=CC(C[N@H+]2CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C2)=C1	REAL300013895582	1	59	0.0	-66.62	448.60	6.82	-59.80
CC(C)C(CNC(=O)N(CC[NH+](C)C)CC1=CC=CO1)C(=O)[O-]	REAL300013895601	0	50	0.0	-67.07	381.37	8.36	-58.71
CC(C)C(CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013895622	0	53	0.0	-68.98	402.63	5.63	-63.35
CC[N@H+](CCC1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1)CC(C)C	REAL300013895636	0	65	0.0	-69.20	452.26	11.21	-57.99
CC[N@@H+](CCC1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1)CC(C)C	REAL300013895636	1	65	0.0	-69.45	457.11	11.50	-57.95
COC(=O)CC[N@@H+]1CCN(C(=O)NCC(C(=O)[O-])C(C)C)C(C)C1	REAL300013895649	1	53	0.0	-71.40	397.18	7.85	-63.55
COC(=O)CC[N@H+]1CCN(C(=O)NCC(C(=O)[O-])C(C)C)C(C)C1	REAL300013895649	1	53	0.0	-69.03	393.86	8.18	-60.85
CC(C)C(CNC(=O)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300013895650	0	61	0.0	-70.51	460.63	9.49	-61.02
CC(C)C(CNC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013895672	0	53	0.0	-74.24	414.44	8.35	-65.89
CC(C)C(CNC(=O)N1CCC([NH2+]C2CCS(=O)(=O)C2)CC1)C(=O)[O-]	REAL300013895682	0	54	0.0	-92.39	409.95	3.61	-88.78
CC(C)C(CNC(=O)NCC1=CC=C(OC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013895710	0	58	0.0	-75.71	443.35	8.21	-67.50
CC(C)C(CNC(=O)N1CC[N@H+](C)C(CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013895718	1	54	0.0	-69.33	399.16	10.04	-59.29
CC(C)C(CNC(=O)N1CC[N@@H+](C)C(CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013895718	1	54	0.0	-70.16	404.58	9.92	-60.24
COC1=CC=C(C(C[NH+](C)C)NC(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300013895722	0	54	0.0	-55.72	408.11	7.21	-48.51
CC[NH+]1CCN(CC(C)(C)NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013895738	0	58	0.0	-64.86	408.48	6.87	-57.99
CCN1CC[NH+](CC(C)(C)NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013895738	1	58	0.0	-62.74	403.59	6.35	-56.39
CC(C)C(CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)C(=O)[O-]	REAL300013895752	0	53	0.0	-75.74	405.01	8.99	-66.75
CC(C)C(CNC(=O)N1CCC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013895773	0	57	0.0	-59.08	407.66	10.71	-48.37
CC(C)C(CNC(=O)N1CCC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013895773	1	57	0.0	-64.66	406.67	11.33	-53.33
CC(C)C(CNC(=O)NCC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013895778	0	55	0.0	-65.94	417.02	5.62	-60.32
CC(C)C(CNC(=O)NCC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013895778	1	55	0.0	-64.71	418.15	5.76	-58.95
CC(C)C(CNC(=O)NC(C)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300013895782	1	58	0.0	-67.58	435.67	8.46	-59.12
CC(C)C(CNC(=O)NC(C)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300013895782	1	58	0.0	-62.82	431.67	7.78	-55.04
CC(C)C(CNC(=O)N(CC[NH+](C)C)CC1CCCO1)C(=O)[O-]	REAL300013895793	0	54	0.0	-71.40	399.61	7.83	-63.57
CC(C)C(CNC(=O)NC(C)C[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013895796	1	59	0.0	-68.25	440.45	7.81	-60.44
CC(C)C[N@@H+]1CCC(CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013895816	0	53	0.0	-64.49	390.55	7.27	-57.22
CC(C)C[N@H+]1CCC(CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013895816	1	53	0.0	-66.11	396.17	7.08	-59.03
CC(C)C(CNC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013895827	0	54	0.0	-65.39	415.46	8.71	-56.68
CC(C)C(CNC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013895827	1	54	0.0	-65.22	407.75	8.26	-56.96
CC(C)C(CNC(=O)N(CC[NH+](C)C)C1CCCC1)C(=O)[O-]	REAL300013895832	0	53	0.0	-64.08	375.72	9.77	-54.31
CC(C)CC(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH2+]C(C)C1=CC=CC=C1	REAL300013895833	0	62	0.0	-63.76	458.96	8.96	-54.80
CCCC1CN(C(=O)NCC(C(=O)[O-])C(C)C)CC[N@@H+]1CC1=CC=CC=C1	REAL300013895850	0	60	0.0	-62.89	436.95	11.38	-51.51
CCCC1CN(C(=O)NCC(C(=O)[O-])C(C)C)CC[N@H+]1CC1=CC=CC=C1	REAL300013895850	1	60	0.0	-60.23	442.08	11.26	-48.97
CC(C)C(CNC(=O)NC(C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013895851	0	53	0.0	-62.80	401.90	8.85	-53.95
CC(C)C(CNC(=O)NC(C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013895851	1	53	0.0	-61.76	401.76	8.81	-52.95
CCCN(CCC[NH+](C)C)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013895865	0	52	0.0	-67.62	387.52	8.96	-58.66
CCN(CCC[NH+](CC)CC)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013895871	0	55	0.0	-66.92	403.82	9.14	-57.78
CCN(CCC[NH+]1CCCC1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013895872	0	53	0.0	-64.07	394.51	9.09	-54.98
CO[C@H]1C[C@@H](CN(C)C(=O)NCC(C(=O)[O-])C(C)C)[N@H+](C)C1	REAL300013895886	0	51	0.0	-51.81	375.87	6.52	-45.29
CO[C@H]1C[C@@H](CN(C)C(=O)NCC(C(=O)[O-])C(C)C)[N@@H+](C)C1	REAL300013895886	1	51	0.0	-70.43	377.04	5.85	-64.58
CC(C)C(CNC(=O)NC(C)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013895889	0	53	0.0	-63.74	392.81	8.19	-55.55
CC1=CC=CC=C1C(C(C)NC(=O)NCC(C(=O)[O-])C(C)C)[NH+](C)C	REAL300013895890	0	56	0.0	-64.41	404.69	9.01	-55.40
CCC[N@H+](C)C(CNC(=O)NCC(C(=O)[O-])C(C)C)C1=CC=C(Cl)C=C1	REAL300013895893	0	56	0.0	-56.93	425.49	9.12	-47.81
CCC[N@@H+](C)C(CNC(=O)NCC(C(=O)[O-])C(C)C)C1=CC=C(Cl)C=C1	REAL300013895893	1	56	0.0	-59.65	425.81	9.13	-50.52
CC(C)C(CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)[O-]	REAL300013895928	1	56	0.0	-62.88	384.13	4.59	-58.29
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013895945	1	57	0.0	-57.62	442.80	9.38	-48.24
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013895945	1	57	0.0	-58.93	443.66	9.50	-49.43
CC1=[NH+]C=CN1CCCCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013895947	1	48	0.0	-64.44	381.75	7.00	-57.44
CC(C)C(CNC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)C(=O)[O-]	REAL300013895949	0	54	0.0	-62.12	398.30	8.07	-54.05
CC(C)C(CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)C(=O)[O-]	REAL300013895988	0	51	0.0	-64.80	372.03	5.16	-59.64
CC(C)C(CNC(=O)NC1CC[NH+](C2CCCCC2O)CC1)C(=O)[O-]	REAL300013896030	0	58	0.0	-64.14	418.68	5.11	-59.03
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013896069	0	57	0.0	-55.56	427.54	9.51	-46.05
CCC(C)[NH2+]C(CNC(=O)NCC(C(=O)[O-])C(C)C)C1=CC=CO1	REAL300013896099	0	53	0.0	-60.10	407.84	6.05	-54.05
CC(C)C(CNC(=O)N(C)CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013896104	0	62	0.0	-68.57	462.64	9.07	-59.50
CC(C)C(CNC(=O)N(CC[NH+](C)C)CC1=CSC=C1)C(=O)[O-]	REAL300013896127	0	50	0.0	-57.96	400.97	9.24	-48.72
COCCC[N@H+](C)CCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013896169	0	50	0.0	-67.71	384.55	4.37	-63.34
COCCC[N@@H+](C)CCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013896169	1	50	0.0	-67.64	384.54	4.38	-63.26
CC(C)C(CNC(=O)NCC(C)C[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013896181	0	55	0.0	-65.75	406.64	4.75	-61.00
CC(C)C(CNC(=O)NCC(C)CN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013896181	1	55	0.0	-69.05	410.14	5.18	-63.87
CCN1CC[NH+](CC(C)CNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013896182	0	58	0.0	-63.12	417.10	5.65	-57.47
CC[NH+]1CCN(CC(C)CNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013896182	1	58	0.0	-65.23	422.62	5.97	-59.26
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013896183	0	62	0.0	-64.04	463.68	10.53	-53.51
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013896183	1	62	0.0	-64.40	464.08	10.52	-53.88
CC(C)C(CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300013896194	0	54	0.0	-63.43	395.26	4.08	-59.35
CC(C)C(CNC(=O)NC1C(C)C[NH+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013896205	0	60	0.0	-68.36	438.64	9.73	-58.63
CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013896206	1	61	0.0	-62.48	445.04	8.16	-54.32
CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013896206	1	61	0.0	-62.87	445.64	8.15	-54.72
CC(C)C(CNC(=O)N(C)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013896221	0	55	0.0	-69.45	409.00	6.50	-62.95
CC(C)C(CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013896221	1	55	0.0	-63.33	408.10	6.33	-57.00
CC(C)C(CNC(=O)N1CCCC2C[N@H+](C)CCC21)C(=O)[O-]	REAL300013896222	0	51	0.0	-67.00	365.51	8.12	-58.88
CC(C)C(CNC(=O)N1CCCC2C[N@@H+](C)CCC21)C(=O)[O-]	REAL300013896222	1	51	0.0	-69.33	358.03	7.68	-61.65
CC(C)C(CNC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013896228	0	57	0.0	-60.12	428.28	9.65	-50.47
CC(C)C(CNC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013896228	1	57	0.0	-66.88	427.49	9.51	-57.37
CC(C)C(CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013896241	0	61	0.0	-72.93	436.78	8.95	-63.98
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013896257	0	60	0.0	-49.64	437.14	10.88	-38.76
CC(C)C(CNC(=O)NCC(C)(C)C[NH+]1CCCC1)C(=O)[O-]	REAL300013896268	0	53	0.0	-63.59	372.92	7.19	-56.40
CC[N@H+](CCNC(=O)NCC(C(=O)[O-])C(C)C)CCC(F)(F)F	REAL300013896284	0	49	0.0	-70.34	382.51	6.09	-64.25
CC[N@@H+](CCNC(=O)NCC(C(=O)[O-])C(C)C)CCC(F)(F)F	REAL300013896284	1	49	0.0	-70.65	386.97	6.36	-64.29
CCCN(CC[NH+]1CCCC1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013896288	0	53	0.0	-61.06	398.54	9.21	-51.85
CC(C)C(CNC(=O)N1CC([NH+]2CCCC2)CC1C)C(=O)[O-]	REAL300013896294	0	51	0.0	-63.34	370.14	8.21	-55.13
CC(C)C(CNC(=O)N1CC([N@H+](C)CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013896297	0	51	0.0	-68.23	396.93	9.10	-59.13
CC(C)C(CNC(=O)N1CC([N@@H+](C)CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013896297	1	51	0.0	-65.82	390.27	9.26	-56.56
CC(C)C(CNC(=O)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1)C(=O)[O-]	REAL300013896298	0	58	0.0	-71.33	429.45	10.84	-60.49
CC(C)C(CNC(=O)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1)C(=O)[O-]	REAL300013896298	1	58	0.0	-72.97	429.20	10.86	-62.11
CC(C)C(CNC(=O)N(C)C1CC2CCC(C1)[NH+]2C)C(=O)[O-]	REAL300013896303	0	51	0.0	-68.75	363.08	7.75	-61.00
CCCN(CC[NH+]1CCCCC1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013896304	0	56	0.0	-63.55	409.73	9.74	-53.81
COCC[NH+](CCOC)C1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013896311	0	61	0.0	-65.63	436.64	6.81	-58.82
CC(C)C(CNC(=O)NC1CC2CCC(C1)[NH+]2CC(=O)N(C)C)C(=O)[O-]	REAL300013896314	0	58	0.0	-69.07	418.42	6.09	-62.98
CC(C)C(CNC(=O)N1CC2C[N@H+](C)C(C3=CC=CC=C3)C2C1)C(=O)[O-]	REAL300013896356	0	55	0.0	-71.75	412.99	10.18	-61.57
CC(C)C(CNC(=O)N1CC2C[N@@H+](C)C(C3=CC=CC=C3)C2C1)C(=O)[O-]	REAL300013896356	1	55	0.0	-72.66	407.40	9.84	-62.82
CC(C)C(CNC(=O)NC1CCCCC1[NH+]1CCOCC1)C(=O)[O-]	REAL300013896373	1	55	0.0	-62.73	389.92	6.59	-56.14
CC(C)C(CNC(=O)N1CCC(CC[N@@H+]2CCCCC2C)CC1)C(=O)[O-]	REAL300013896377	0	63	0.0	-70.21	439.17	10.62	-59.59
CC(C)C(CNC(=O)N1CCC(CC[N@H+]2CCCCC2C)CC1)C(=O)[O-]	REAL300013896377	1	63	0.0	-71.34	439.17	10.63	-60.71
CC1=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C(N2CCCC2)=[NH+]1	REAL300013896412	1	53	0.0	-58.81	399.68	7.28	-51.53
CC(C)C(CNC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)C(=O)[O-]	REAL300013896414	0	57	0.0	-68.73	405.63	7.82	-60.91
CC(C)C(CNC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)C(=O)[O-]	REAL300013896414	1	57	0.0	-60.99	404.65	8.74	-52.25
CC(C)C(CNC(=O)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300013896417	0	58	0.0	-59.91	399.25	10.36	-49.55
CC(C)C(CNC(=O)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300013896417	1	58	0.0	-56.28	412.08	10.98	-45.30
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C(=O)[O-]	REAL300013896418	0	55	0.0	-59.64	419.23	6.19	-53.45
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C(=O)[O-]	REAL300013896418	1	55	0.0	-61.46	416.86	5.66	-55.80
CC[NH+](CC)CCCC1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013896433	0	62	0.0	-68.94	438.98	10.87	-58.07
CC(C)C(CNC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013896445	1	55	0.0	-60.17	417.03	9.67	-50.50
CC(C)C(CNC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013896445	1	55	0.0	-68.08	415.18	8.84	-59.24
CC(C)C(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013896447	0	58	0.0	-68.33	435.43	7.87	-60.46
CC(C)C(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C(=O)[O-]	REAL300013896447	1	58	0.0	-70.64	435.99	7.82	-62.82
CC(C)C(CNC(=O)NCCC[N@@H+]1CCCOC(C)C1)C(=O)[O-]	REAL300013896470	0	54	0.0	-64.54	393.26	6.15	-58.39
CC(C)C(CNC(=O)NCCC[N@H+]1CCCOC(C)C1)C(=O)[O-]	REAL300013896470	1	54	0.0	-65.83	393.71	5.79	-60.04
CC(C)C(CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013896473	0	59	0.0	-69.45	418.89	7.42	-62.03
CC(C)C(CNC(=O)N(C)CCC[N@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013896488	0	53	0.0	-67.77	403.58	9.04	-58.73
CC(C)C(CNC(=O)N(C)CCC[N@@H+](C)CC1=CC=CO1)C(=O)[O-]	REAL300013896488	1	53	0.0	-67.45	402.52	8.95	-58.50
CC(C)C(CNC(=O)N1CCC([NH+]2CCCC2)C1C)C(=O)[O-]	REAL300013896507	0	51	0.0	-67.94	374.43	7.97	-59.97
CCN(CC[NH+]1CCCCCC1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013896510	0	56	0.0	-59.66	394.07	9.36	-50.30
CC(C)C(CNC(=O)N(C)CCC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300013896513	0	53	0.0	-66.84	388.34	8.60	-58.24
CC(C)C(CNC(=O)N(C)CCC1CCCC[N@H+]1C)C(=O)[O-]	REAL300013896513	1	53	0.0	-61.81	382.49	8.72	-53.09
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013896520	0	57	0.0	-61.24	406.90	10.39	-50.85
CC(C)C(CNC(=O)N1CCC2C(CCC[N@@H+]2C)C1)C(=O)[O-]	REAL300013896555	0	51	0.0	-68.17	367.06	8.04	-60.13
CC(C)C(CNC(=O)N1CCC2C(CCC[N@H+]2C)C1)C(=O)[O-]	REAL300013896555	1	51	0.0	-65.23	359.93	7.62	-57.61
CC(C)C(CNC(=O)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013896556	0	61	0.0	-67.83	443.60	11.59	-56.24
CC(C)C(CNC(=O)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013896556	1	61	0.0	-66.62	426.17	11.15	-55.47
CC(C)C(CNC(=O)N1CCN(C(=O)C2CCC[N@@H+]2C)CC1)C(=O)[O-]	REAL300013896568	0	55	0.0	-72.87	400.50	6.94	-65.93
CC(C)C(CNC(=O)N1CCN(C(=O)C2CCC[N@H+]2C)CC1)C(=O)[O-]	REAL300013896568	1	55	0.0	-67.21	394.02	7.07	-60.14
CC(C)C(CNC(=O)N1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300013896569	0	54	0.0	-59.41	376.66	8.72	-50.69
CC1=CC=[NH+]C(N2CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)=C1	REAL300013896573	1	50	0.0	-63.83	379.08	7.35	-56.48
CC(C)C(CNC(=O)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C(=O)[O-]	REAL300013896575	1	56	0.0	-68.06	432.54	7.33	-60.73
CC(C)C(CNC(=O)NNC1=[NH+]N=CC(N)=C1Cl)C(=O)[O-]	REAL300013896582	0	38	0.0	-50.54	316.84	2.33	-48.21
CC(C)C(CNC(=O)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013896615	0	61	0.0	-61.46	448.92	10.34	-51.12
CC(C)C(CNC(=O)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21)C(=O)[O-]	REAL300013896615	1	61	0.0	-68.98	442.22	10.84	-58.14
CC(C)C(CNC(=O)NCC1CCCC[N@@H+]1C1CC1)C(=O)[O-]	REAL300013896633	0	51	0.0	-59.73	380.91	7.02	-52.71
CC(C)C(CNC(=O)NCC1CCCC[N@H+]1C1CC1)C(=O)[O-]	REAL300013896633	1	51	0.0	-59.32	369.13	6.84	-52.48
CC(C)C(CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)C(=O)[O-]	REAL300013896651	0	53	0.0	-60.03	382.30	6.97	-53.06
CC(C)C(CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)C(=O)[O-]	REAL300013896651	1	53	0.0	-62.74	387.57	6.87	-55.87
CC(C)C(CNC(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300013896663	0	50	0.0	-62.47	391.82	7.83	-54.64
CC(C)OC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300013896672	0	60	0.0	-61.06	448.97	9.27	-51.79
CC(C)CC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300013896681	0	62	0.0	-67.12	464.00	10.18	-56.94
CC(C)C(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300013896697	0	54	0.0	-65.19	407.48	8.24	-56.95
CC(C)C(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)C(=O)[O-]	REAL300013896697	1	54	0.0	-58.24	399.26	8.99	-49.25
CC(C)C(CNC(=O)N1CCC([N@H+](C)CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013896705	0	54	0.0	-65.94	404.39	9.93	-56.01
CC(C)C(CNC(=O)N1CCC([N@@H+](C)CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013896705	1	54	0.0	-67.56	404.34	9.91	-57.65
CC(C)C(CNC(=O)NC1CC[N@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013896721	0	54	0.0	-66.22	400.19	7.78	-58.44
CC(C)C(CNC(=O)NC1CC[N@@H+](CC2CCCC2)C1)C(=O)[O-]	REAL300013896721	1	54	0.0	-63.60	394.43	7.90	-55.70
CC(C)C(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO)C(=O)[O-]	REAL300013896747	0	58	0.0	-55.98	427.20	6.01	-49.97
CC(C)C(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO)C(=O)[O-]	REAL300013896747	1	58	0.0	-58.85	441.74	6.25	-52.60
CC(C)C(CNC(=O)NC(C)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300013896768	1	48	0.0	-70.29	357.37	4.34	-65.95
CC(C)C(CNC(=O)NC(C)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300013896768	1	48	0.0	-68.09	358.07	4.91	-63.18
CC(C)C(CNC(=O)NCCC(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300013896777	0	53	0.0	-64.54	388.16	6.90	-57.64
CC(C)C(CNC(=O)N(C)C(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013896784	0	53	0.0	-64.43	385.79	8.90	-55.53
CC[NH+](CC)CCOCCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013896797	0	53	0.0	-64.20	397.41	5.20	-59.00
CC(C)C(CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013896802	0	62	0.0	-70.70	428.28	7.30	-63.40
CC(C)C(CNC(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300013896807	0	51	0.0	-63.17	373.03	7.19	-55.98
CC1=C[NH+]=CC=C1OC1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013896822	1	52	0.0	-71.24	395.81	7.88	-63.36
CC(C)C(CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(=O)[O-]	REAL300013896839	0	55	0.0	-65.32	386.80	7.39	-57.93
CC(C)C(CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(=O)[O-]	REAL300013896839	1	55	0.0	-62.89	386.03	7.17	-55.72
CC(C)C(CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C(=O)[O-]	REAL300013896840	0	55	0.0	-62.13	391.32	7.02	-55.11
CC(C)C(CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C(=O)[O-]	REAL300013896840	1	55	0.0	-61.31	393.08	7.28	-54.03
CC(C)C(CNC(=O)NCC1=CC=NC=C1OCCC[NH+](C)C)C(=O)[O-]	REAL300013896849	0	56	0.0	-60.99	433.24	6.29	-54.70
CC(C)C(CNC(=O)N(C)CCC[N@H+](C)CCN(C)C)C(=O)[O-]	REAL300013896852	0	57	0.0	-68.24	423.82	6.50	-61.74
CC(C)C(CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)C(=O)[O-]	REAL300013896852	1	57	0.0	-67.91	423.94	6.51	-61.40
CC(C)C(CNC(=O)N(C)CCCN(C)CC[NH+](C)C)C(=O)[O-]	REAL300013896852	1	57	0.0	-71.11	424.19	6.68	-64.43
CCCN(CC[NH+]1CCCCCC1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013896853	0	59	0.0	-60.04	419.25	10.25	-49.79
CC(C)C(CNC(=O)N[C@H](C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013896858	0	53	0.0	-65.64	401.72	8.82	-56.82
CC(C)C(CNC(=O)N[C@H](C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013896858	1	53	0.0	-64.95	401.81	8.81	-56.14
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013896873	0	52	0.0	-62.88	384.82	7.44	-55.44
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013896873	1	52	0.0	-61.10	391.10	7.34	-53.76
CCC[N@H+](C)CC1CCN(C(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013896904	0	53	0.0	-69.86	393.43	8.41	-61.45
CCC[N@@H+](C)CC1CCN(C(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013896904	1	53	0.0	-67.77	385.56	8.52	-59.25
CC(C)C(CNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013896912	0	54	0.0	-66.83	407.30	9.23	-57.60
CC(C)C(CNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013896912	1	54	0.0	-66.51	405.00	8.84	-57.67
CC(C)C(CNC(=O)N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013896924	0	57	0.0	-65.99	421.65	10.85	-55.14
CC(C)C(CNC(=O)N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013896924	1	57	0.0	-69.21	428.81	10.75	-58.46
CC(C)C(CNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)C(=O)[O-]	REAL300013896933	0	62	0.0	-70.43	436.37	7.75	-62.68
CC[N@@H+]1CCC(N(C)C(=O)NCC(C(=O)[O-])C(C)C)C(C)C1	REAL300013896954	0	53	0.0	-66.76	378.69	8.96	-57.80
CC[N@H+]1CCC(N(C)C(=O)NCC(C(=O)[O-])C(C)C)C(C)C1	REAL300013896954	1	53	0.0	-68.91	385.26	8.80	-60.11
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013896958	0	56	0.0	-65.11	404.55	7.91	-57.20
CC(C)C[N@H+]1CCCC(CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013896958	1	56	0.0	-62.09	396.53	7.99	-54.10
CC(C)C(CNC(=O)N1CCC2C(CCC[N@@H+]2C2CC2)C1)C(=O)[O-]	REAL300013896965	0	55	0.0	-65.85	391.80	8.96	-56.89
CC(C)C(CNC(=O)N1CCC2C(CCC[N@H+]2C2CC2)C1)C(=O)[O-]	REAL300013896965	1	55	0.0	-64.73	380.32	9.00	-55.73
CCC1CN(C(=O)NCC(C(=O)[O-])C(C)C)CC[N@@H+]1CC1=CC=CC=C1	REAL300013896983	0	57	0.0	-63.52	421.09	10.53	-52.99
CCC1CN(C(=O)NCC(C(=O)[O-])C(C)C)CC[N@H+]1CC1=CC=CC=C1	REAL300013896983	1	57	0.0	-62.69	413.81	10.67	-52.02
CC(C)C(CNC(=O)NCC1(C[NH+](C)C)CCCC1)C(=O)[O-]	REAL300013896992	0	53	0.0	-67.50	379.96	7.33	-60.17
CC(C)C(CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013897027	1	54	0.0	-57.17	398.41	7.34	-49.83
CC(C)C(CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013897027	1	54	0.0	-58.10	389.91	7.31	-50.79
CC(C)C(CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C(=O)[O-]	REAL300013897028	1	54	0.0	-61.66	397.20	7.10	-54.56
CC(C)C(CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C(=O)[O-]	REAL300013897028	1	54	0.0	-61.53	390.71	7.23	-54.30
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013897045	0	52	0.0	-65.47	391.12	7.35	-58.12
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013897045	1	52	0.0	-62.61	385.83	7.41	-55.20
CCCC[N@H+](C)CC(C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013897048	0	52	0.0	-62.95	385.92	7.44	-55.51
CCCC[N@@H+](C)CC(C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013897048	1	52	0.0	-61.15	391.08	7.33	-53.82
CC1=CC(CNC(=O)NCC(C(=O)[O-])C(C)C)=CC(N2CCCC2)=[NH+]1	REAL300013897057	1	53	0.0	-54.18	406.10	6.35	-47.83
CSC1(CNC(=O)NCC(C(=O)[O-])C(C)C)CC[NH+](C)CC1	REAL300013897059	0	51	0.0	-63.57	378.57	6.73	-56.84
CC(C)C(CNC(=O)N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013897076	0	57	0.0	-58.58	400.01	10.79	-47.79
CC(C)C(CNC(=O)N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013897076	1	57	0.0	-62.19	410.40	11.13	-51.06
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013897081	0	60	0.0	-69.85	449.64	11.79	-58.06
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013897081	1	60	0.0	-63.97	445.85	11.86	-52.11
CC1=[NH+]C=CN1CCCN(C)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013897104	1	48	0.0	-62.56	377.87	8.61	-53.95
CC(C)C(CNC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013897119	0	56	0.0	-69.20	421.40	7.62	-61.58
CC(C)C(CNC(=O)NCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013897122	0	57	0.0	-67.50	434.23	9.19	-58.31
CC(C)C(CNC(=O)NCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013897122	1	57	0.0	-67.48	434.22	9.19	-58.29
CCCN(CC[NH+](CC)CC)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013897145	0	55	0.0	-58.54	395.85	9.25	-49.29
CC(C)C(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013897156	0	54	0.0	-62.17	406.58	9.18	-52.99
CC(C)C(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013897156	1	54	0.0	-68.29	414.73	8.70	-59.59
CC(C)C(CNC(=O)NCC1[N@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300013897180	0	53	0.0	-58.28	372.20	6.77	-51.51
CC(C)C(CNC(=O)NCC1[N@@H+](C)CCCC1(C)C)C(=O)[O-]	REAL300013897180	1	53	0.0	-55.56	367.20	6.93	-48.63
CC(C)C(CNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013897189	0	54	0.0	-66.65	408.61	8.66	-57.99
CC(C)C(CNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013897189	1	54	0.0	-67.14	410.14	8.76	-58.38
CC(C)C(CNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013897202	0	55	0.0	-66.58	406.11	10.09	-56.49
CC(C)C(CNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013897202	1	55	0.0	-74.47	414.86	10.15	-64.32
CC(C)C(CNC(=O)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013897208	0	60	0.0	-69.65	441.07	10.11	-59.54
CC(C)C(CNC(=O)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013897208	1	60	0.0	-70.13	441.58	10.03	-60.10
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013897215	0	52	0.0	-63.09	377.35	7.54	-55.55
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013897215	1	52	0.0	-62.75	382.91	6.93	-55.82
CCC[N@H+](CC)C[C@H](C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013897220	0	52	0.0	-58.22	387.55	7.24	-50.98
CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013897220	1	52	0.0	-61.04	379.41	7.34	-53.70
CC(C)C(CNC(=O)N1CCCC(C[N@@H+]2CCCCC2C)C1)C(=O)[O-]	REAL300013897257	0	60	0.0	-60.76	410.47	10.14	-50.62
CC(C)C(CNC(=O)N1CCCC(C[N@H+]2CCCCC2C)C1)C(=O)[O-]	REAL300013897257	1	60	0.0	-65.37	417.68	10.47	-54.90
CC(C)C(CNC(=O)N1CCC2CCC(C1)[N@@H+]2C(C)C)C(=O)[O-]	REAL300013897281	0	54	0.0	-62.14	369.71	8.40	-53.74
CC(C)C(CNC(=O)N1CCC2CCC(C1)[N@H+]2C(C)C)C(=O)[O-]	REAL300013897281	1	54	0.0	-54.87	377.89	8.46	-46.41
CC(C)C(CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013897283	0	58	0.0	-69.08	425.35	8.87	-60.21
CC(C)C(CNC(=O)N1CCC(C[NH+]2CCCC2)C1)C(=O)[O-]	REAL300013897289	0	51	0.0	-69.44	374.20	7.83	-61.61
CC(C)C(CNC(=O)N1CCC(C[N@H+](C)CC2CC2)C1)C(=O)[O-]	REAL300013897295	0	54	0.0	-70.80	405.09	9.22	-61.58
CC(C)C(CNC(=O)N1CCC(C[N@@H+](C)CC2CC2)C1)C(=O)[O-]	REAL300013897295	1	54	0.0	-70.53	405.23	9.22	-61.31
CC(C)C(CNC(=O)NCCC[NH+](C(C)C)C(C)C)C(=O)[O-]	REAL300013897296	0	55	0.0	-63.51	393.71	6.65	-56.86
CC(C)OCC[NH+]1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013897298	1	54	0.0	-63.81	401.92	7.41	-56.40
CC(C)C(CNC(=O)N(C)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013897301	0	57	0.0	-63.78	424.39	10.76	-53.02
CC(C)C(CNC(=O)N(C)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013897301	1	57	0.0	-65.64	417.86	10.89	-54.75
CC(C)C(CNC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013897310	0	56	0.0	-64.20	413.07	8.76	-55.44
CC(C)C(CNC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013897310	1	56	0.0	-64.81	415.13	8.75	-56.06
CC(C)C(CNC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013897317	0	50	0.0	-62.04	396.34	8.92	-53.12
CC[NH+](CC)CCOC1CCN(C(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013897326	0	57	0.0	-69.14	424.36	7.89	-61.25
CC(C)C(CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013897332	0	60	0.0	-71.88	435.10	10.54	-61.34
CC(C)C(CNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300013897337	1	57	0.0	-65.23	390.59	7.23	-58.00
CC(C)C(CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(=O)[O-]	REAL300013897350	0	60	0.0	-66.61	425.28	8.93	-57.68
CC(C)C(CNC(=O)NCCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013897359	0	60	0.0	-68.45	456.00	9.85	-58.60
CC(C)C(CNC(=O)NCCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013897359	1	60	0.0	-69.36	449.70	9.54	-59.82
CC(C)C(CNC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC[NH+](C)C)C(=O)[O-]	REAL300013897361	0	60	0.0	-79.61	462.45	6.40	-73.21
CC(C)C(CNC(=O)NCC(C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C)C(=O)[O-]	REAL300013897409	0	53	0.0	-68.33	413.85	8.60	-59.73
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013897410	0	59	0.0	-65.34	440.79	9.73	-55.61
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013897410	1	59	0.0	-62.26	432.57	9.64	-52.62
CC(C)C(CNC(=O)N1CC[N@@H+](C2CCC2)CC(C)C1)C(=O)[O-]	REAL300013897464	0	54	0.0	-60.53	389.06	9.08	-51.45
CC(C)C(CNC(=O)N1CC[N@H+](C2CCC2)CC(C)C1)C(=O)[O-]	REAL300013897464	1	54	0.0	-53.30	383.52	9.81	-43.49
CC(C)C(CNC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013897480	0	54	0.0	-62.78	407.52	8.19	-54.59
CC(C)C(CNC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013897480	1	54	0.0	-62.09	407.44	8.21	-53.88
CC(C)C(CNC(=O)NC(C[NH+]1CCCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013897490	0	57	0.0	-59.63	430.63	10.21	-49.42
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013897498	0	56	0.0	-61.09	425.68	10.75	-50.34
CC(C)C(CNC(=O)N1CCC(OCC[NH+](C)C)CC1)C(=O)[O-]	REAL300013897499	0	54	0.0	-68.39	401.61	7.47	-60.92
CC(C)C(CNC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300013897500	0	56	0.0	-62.64	406.13	5.16	-57.48
CC(C)C(CNC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300013897500	1	56	0.0	-61.18	406.02	5.10	-56.08
CC(C)C(CNC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300013897500	1	56	0.0	-71.35	405.35	4.71	-66.64
CC(C)C(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1CO)C(=O)[O-]	REAL300013897513	0	58	0.0	-65.28	437.19	6.59	-58.69
CC(C)C(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO)C(=O)[O-]	REAL300013897513	1	58	0.0	-63.64	424.99	6.23	-57.41
CC(C)C(CNC(=O)N1CCC2(C1)CCC[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300013897515	0	61	0.0	-72.06	447.23	11.32	-60.74
CC(C)C(CNC(=O)N1CCC2(C1)CCC[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300013897515	1	61	0.0	-68.31	449.09	11.56	-56.75
CC(C)C(CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(=O)[O-]	REAL300013897521	0	57	0.0	-64.73	410.71	8.20	-56.53
CC(C)OCC[NH+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013897529	0	57	0.0	-63.75	420.89	6.84	-56.91
CC(C)C(CNC(=O)N1CC[NH+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013897535	0	52	0.0	-65.17	376.70	6.48	-58.69
CC(C)C(CNC(=O)NCCCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300013897540	0	59	0.0	-67.32	438.84	9.12	-58.20
CC(C)C(CNC(=O)NC(C)(C)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013897555	0	56	0.0	-63.73	407.03	9.78	-53.95
CC(C)C(CNC(=O)NC(C)(C)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013897555	1	56	0.0	-62.92	407.35	9.72	-53.20
CC(C)C(CNC(=O)N(C)C1CCCCC1[N@H+](C)C1CCN(C)CC1)C(=O)[O-]	REAL300013897559	0	68	0.0	-50.62	446.35	8.30	-42.32
CC(C)C(CNC(=O)N(C)C1CCCCC1[N@@H+](C)C1CCN(C)CC1)C(=O)[O-]	REAL300013897559	1	68	0.0	-54.48	448.19	8.32	-46.16
CC(C)C(CNC(=O)N1CCN(C2=CC=[NH+]C=C2Cl)CC1)C(=O)[O-]	REAL300013897562	1	47	0.0	-72.83	378.11	6.61	-66.22
CC(C)C(CNC(=O)NC(C)CC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013897600	0	55	0.0	-67.67	410.50	4.97	-62.70
CC(C)C(CNC(=O)NC(C)CCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013897600	1	55	0.0	-67.11	406.14	5.22	-61.89
CC(C)C(CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013897602	0	58	0.0	-68.30	411.03	5.01	-63.29
CC(C)C(CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300013897602	1	58	0.0	-69.04	412.92	5.13	-63.91
CCN(C(=O)NCC(C(=O)[O-])C(C)C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013897607	0	57	0.0	-57.99	421.83	11.19	-46.80
CCN(C(=O)NCC(C(=O)[O-])C(C)C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013897607	1	57	0.0	-57.48	426.58	10.85	-46.63
CC(C)C(CNC(=O)N(C)C1CC[N@@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300013897608	0	59	0.0	-66.17	425.52	7.01	-59.16
CC(C)C(CNC(=O)N(C)C1CC[N@H+](C2CCN(C)CC2)C1)C(=O)[O-]	REAL300013897608	1	59	0.0	-64.18	423.41	6.85	-57.33
CC(C)C(CNC(=O)N(C)C1CCN(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300013897608	1	59	0.0	-67.98	419.42	7.03	-60.95
CC(C)C(CNC(=O)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2)C(=O)[O-]	REAL300013897650	0	61	0.0	-73.88	447.76	11.20	-62.68
CCC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+](CC)CC)C=C1	REAL300013897653	0	62	0.0	-56.36	450.19	10.06	-46.30
CC(C)C(CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C(=O)[O-]	REAL300013897654	0	57	0.0	-73.33	415.88	4.61	-68.72
CC(C)C(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C2CCCCC21)C(=O)[O-]	REAL300013897662	0	61	0.0	-64.97	427.53	10.90	-54.07
CC(C)C(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C2CCCCC21)C(=O)[O-]	REAL300013897662	1	61	0.0	-62.81	437.87	11.50	-51.31
CC(C)C(CNC(=O)N1CCN(C2CCC[N@H+](C)C2)CC1)C(=O)[O-]	REAL300013897685	0	56	0.0	-72.56	394.28	6.08	-66.48
CC(C)C(CNC(=O)N1CCN(C2CCC[N@@H+](C)C2)CC1)C(=O)[O-]	REAL300013897685	1	56	0.0	-70.43	401.93	6.55	-63.88
CC(C)C(CNC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)C(=O)[O-]	REAL300013897699	0	57	0.0	-60.60	401.04	9.60	-51.00
CCOCCC[N@@H+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C(C)C1	REAL300013897701	0	60	0.0	-69.91	444.46	7.80	-62.11
CCOCCC[N@H+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C(C)C1	REAL300013897701	1	60	0.0	-66.73	434.79	7.39	-59.34
CC(C)C(CNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013897702	0	57	0.0	-66.77	418.84	3.76	-63.01
CC(C)C(CNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013897702	1	57	0.0	-69.04	424.50	3.66	-65.38
CC(C)C(CNC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013897706	0	57	0.0	-65.97	426.25	9.39	-56.58
CC(C)C(CNC(=O)NCC1([NH+](C)C)CCSC1)C(=O)[O-]	REAL300013897717	0	48	0.0	-61.59	356.62	5.98	-55.61
CC(C)C(CNC(=O)N1CC[NH+](C2CC3CCC2C3)CC1)C(=O)[O-]	REAL300013897726	0	55	0.0	-62.38	389.56	9.36	-53.02
CC[N@@H+]1CCC(N(C)C(=O)NCC(C(=O)[O-])C(C)C)CC1C	REAL300013897728	0	53	0.0	-57.26	365.98	8.34	-48.92
CC[N@H+]1CCC(N(C)C(=O)NCC(C(=O)[O-])C(C)C)CC1C	REAL300013897728	1	53	0.0	-62.89	365.97	8.33	-54.56
CC(C)C(CNC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013897738	0	50	0.0	-72.57	394.75	7.54	-65.03
CC(C)C(CNC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300013897738	1	50	0.0	-69.96	389.46	7.65	-62.31
CC(C)C(CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)C(=O)[O-]	REAL300013897739	0	57	0.0	-71.55	424.36	8.10	-63.45
CC(C)C(CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300013897745	0	54	0.0	-66.30	390.23	7.42	-58.88
CC(C)C(CNC(=O)N1CCC(C2CC[NH+](C)CC2)C1)C(=O)[O-]	REAL300013897748	0	54	0.0	-71.39	391.67	8.83	-62.56
CC(C)C(CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C(=O)[O-]	REAL300013897811	0	59	0.0	-68.37	405.18	7.86	-60.51
CC(C)C(CNC(=O)NCC1CCC[N@@H+]1C1CCCCC1)C(=O)[O-]	REAL300013897831	0	57	0.0	-64.15	403.08	7.52	-56.63
CC(C)C(CNC(=O)NCC1CCC[N@H+]1C1CCCCC1)C(=O)[O-]	REAL300013897831	1	57	0.0	-62.78	399.75	8.74	-54.04
CC(C)C(CNC(=O)NCC1(C)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013897836	0	57	0.0	-67.68	426.94	9.45	-58.23
CC(C)C(CNC(=O)NCC1(C)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013897836	1	57	0.0	-69.75	432.71	9.28	-60.47
CC(C)C(CNC(=O)N1CCC2(C1)CCC[N@H+](C)C2)C(=O)[O-]	REAL300013897848	0	51	0.0	-64.17	365.89	8.00	-56.17
CC(C)C(CNC(=O)N1CCC2(C1)CCC[N@@H+](C)C2)C(=O)[O-]	REAL300013897848	1	51	0.0	-70.28	365.06	8.12	-62.16
CC(C)C1=CC=C(C[NH+]2CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)C=C1	REAL300013897854	1	60	0.0	-66.01	446.23	11.38	-54.63
CC(C)C(CNC(=O)NCCCCC[NH+]1CCCC1)C(=O)[O-]	REAL300013897857	0	53	0.0	-66.57	395.84	7.55	-59.02
CC(C)C(CNC(=O)NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013897872	0	55	0.0	-69.02	417.38	5.63	-63.39
CC(C)C(CNC(=O)NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013897872	1	55	0.0	-67.84	416.63	5.57	-62.27
COCC[NH+]1C2CCC1CC(N(C)C(=O)NCC(C(=O)[O-])C(C)C)C2	REAL300013897880	0	58	0.0	-57.92	384.02	6.26	-51.66
CC(C)C(CNC(=O)NC(CC[NH+](C)C)C(C)(C)C)C(=O)[O-]	REAL300013897894	0	55	0.0	-71.66	398.83	7.25	-64.41
CC(C)C(CNC(=O)N1CCN(CC2C[N@@H+](C(C)C)CCO2)CC1)C(=O)[O-]	REAL300013897921	0	63	0.0	-70.58	442.11	6.55	-64.03
CC(C)C(CNC(=O)N1CCN(CC2C[N@H+](C(C)C)CCO2)CC1)C(=O)[O-]	REAL300013897921	1	63	0.0	-69.40	448.81	6.62	-62.78
CC(C)C(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013897926	0	57	0.0	-61.94	416.23	9.74	-52.20
CC(C)C(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013897926	1	57	0.0	-61.79	420.12	10.01	-51.78
CC(C)C(CNC(=O)N(CC1=CC=CC=C1)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013897928	0	57	0.0	-67.41	413.40	11.26	-56.15
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300013897932	0	58	0.0	-60.97	435.31	6.84	-54.13
CC(C)C(CNC(=O)N1CC[NH+](CC2CCOC2)CC1)C(=O)[O-]	REAL300013897946	0	52	0.0	-71.04	382.02	6.60	-64.44
CC1=CC(N2CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC2)=NC(C)=[NH+]1	REAL300013897948	1	55	0.0	-64.99	423.47	6.40	-58.59
CC(C)C(CNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(=O)[O-]	REAL300013897973	0	62	0.0	-68.01	433.75	7.47	-60.54
CC(C)C(CNC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(=O)[O-]	REAL300013897973	1	62	0.0	-67.21	433.56	7.47	-59.74
CC(C)C(CNC(=O)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1)C(=O)[O-]	REAL300013897986	0	61	0.0	-72.14	440.85	11.56	-60.58
CC(C)C(CNC(=O)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1)C(=O)[O-]	REAL300013897986	1	61	0.0	-75.72	445.97	11.44	-64.28
CC(C)C(CNC(=O)NCC1CC[N@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013897995	0	54	0.0	-70.17	431.09	9.43	-60.74
CC(C)C(CNC(=O)NCC1CC[N@@H+](C)C1C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300013897995	1	54	0.0	-75.85	417.15	8.01	-67.84
CC(C)C(CNC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013897996	0	53	0.0	-65.55	414.18	4.80	-60.75
CC(C)C(CNC(=O)NCC(C1CC1)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013898010	0	57	0.0	-63.93	417.18	10.65	-53.28
CC(C)C(CNC(=O)NCC(C1CC1)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013898010	1	57	0.0	-60.68	426.06	9.97	-50.71
CC(C)C(CNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300013898067	0	60	0.0	-65.82	422.22	8.27	-57.55
CC(C)C(CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300013898068	0	55	0.0	-64.60	397.03	4.37	-60.23
CC(C)C(CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C(=O)[O-]	REAL300013898068	1	55	0.0	-64.22	394.53	4.20	-60.02
CSC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300013898085	0	54	0.0	-66.77	415.31	8.64	-58.13
CC(C)C(CNC(=O)N1CC[N@@H+](C2CC2)CC(C)C1)C(=O)[O-]	REAL300013898088	0	51	0.0	-59.67	371.76	8.63	-51.04
CC(C)C(CNC(=O)N1CC[N@H+](C2CC2)CC(C)C1)C(=O)[O-]	REAL300013898088	1	51	0.0	-55.66	373.74	9.12	-46.54
CC(C)C(CNC(=O)NC(C)C[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013898118	1	58	0.0	-64.09	438.51	7.32	-56.77
CC(C)C(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013898148	0	57	0.0	-66.16	428.00	9.21	-56.95
CC(C)C(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013898148	1	57	0.0	-62.50	405.92	9.71	-52.79
CC(C)C(CNC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013898151	0	68	0.0	-64.85	474.35	9.17	-55.68
CC(C)C(CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013898164	0	57	0.0	-65.77	404.43	8.32	-57.45
CC(C)C(CNC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C(=O)[O-]	REAL300013898165	0	63	0.0	-71.87	465.35	6.36	-65.51
CC(C)CC[NH+]1CCC(CNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898168	0	59	0.0	-67.69	425.96	8.66	-59.03
COC1CC[NH+](CCNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898169	0	51	0.0	-64.43	379.71	4.91	-59.52
CC(C)C(CNC(=O)N1CC(C)C([NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013898171	1	52	0.0	-67.40	381.74	5.99	-61.41
CC(C)C(CNC(=O)N1CCC([NH+]2CCN(C)CC2)C(C)C1)C(=O)[O-]	REAL300013898188	0	59	0.0	-64.70	414.72	7.23	-57.47
CC(C)C(CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(=O)[O-]	REAL300013898192	0	57	0.0	-66.68	416.40	8.47	-58.21
CC(C)C(CNC(=O)N1CC(C)[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013898209	0	57	0.0	-62.08	409.48	10.95	-51.13
CC(C)C(CNC(=O)N1CC(C)[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013898209	1	57	0.0	-56.17	412.10	10.59	-45.58
CCCC1CN(C(=O)NCC(C(=O)[O-])C(C)C)CC[N@@H+]1CCOC	REAL300013898212	0	57	0.0	-60.49	410.69	7.64	-52.85
CCCC1CN(C(=O)NCC(C(=O)[O-])C(C)C)CC[N@H+]1CCOC	REAL300013898212	1	57	0.0	-57.81	406.02	7.86	-49.95
COCC[N@H+](C)CCCC1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898213	0	63	0.0	-73.47	459.42	9.22	-64.25
COCC[N@@H+](C)CCCC1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898213	1	63	0.0	-70.43	454.23	9.34	-61.09
CC(C)C(CNC(=O)N1CCC(CCC[NH+](C)C)CC1)C(=O)[O-]	REAL300013898214	0	56	0.0	-70.92	403.90	9.51	-61.41
CC(C)C(CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013898260	0	55	0.0	-65.66	393.93	7.57	-58.09
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013898272	0	56	0.0	-56.07	399.07	7.90	-48.17
CC(C)C(CNC(=O)NCC1CCC[N@@H+]1CCCO)C(=O)[O-]	REAL300013898273	0	51	0.0	-62.58	376.00	2.84	-59.74
CC(C)C(CNC(=O)NCC1CCC[N@H+]1CCCO)C(=O)[O-]	REAL300013898273	1	51	0.0	-62.85	386.33	3.51	-59.34
CC(C)C(CNC(=O)NC1CCC[N@H+](CCCO)C1)C(=O)[O-]	REAL300013898277	0	51	0.0	-66.93	375.05	3.87	-63.06
CC(C)C(CNC(=O)NC1CCC[N@@H+](CCCO)C1)C(=O)[O-]	REAL300013898277	1	51	0.0	-69.75	385.34	3.22	-66.53
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013898302	0	54	0.0	-65.74	398.34	5.75	-59.99
CC(C)C[N@H+]1CCOC(CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013898302	1	54	0.0	-65.41	396.66	5.76	-59.65
CC(C)C(CNC(=O)N1CC[NH+](CC2=CC=CC3=CC=CC=C32)CC1)C(=O)[O-]	REAL300013898315	0	57	0.0	-66.76	422.88	11.75	-55.01
CC(C)C(CNC(=O)N1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013898320	1	51	0.0	-62.73	367.86	8.75	-53.98
CC(C)C(CNC(=O)N1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013898320	1	51	0.0	-64.54	365.89	8.78	-55.76
CC(C)C(CNC(=O)N(CC[NH+](C)C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013898328	0	53	0.0	-60.78	404.33	10.06	-50.72
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013898331	0	50	0.0	-70.68	385.75	7.65	-63.03
CC(C)C(CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)[O-]	REAL300013898349	0	55	0.0	-60.91	398.79	7.67	-53.24
CC(C)C(CNC(=O)N1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013898372	0	47	0.0	-68.64	357.63	5.68	-62.96
CC(C)C(CNC(=O)NCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013898379	0	53	0.0	-65.12	388.90	7.27	-57.85
CC(C)C(CNC(=O)NCCC[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013898384	0	53	0.0	-68.01	403.48	8.40	-59.61
CC(C)C(CNC(=O)NCCC[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300013898384	1	53	0.0	-70.30	409.79	8.26	-62.04
CC[NH+](CC)CC1=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300013898396	0	56	0.0	-69.88	428.14	8.90	-60.98
CC(C)C(CNC(=O)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013898397	0	54	0.0	-72.50	421.47	9.33	-63.17
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013898403	0	56	0.0	-62.44	420.62	9.13	-53.31
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300013898404	0	57	0.0	-69.22	426.96	9.47	-59.75
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)C(=O)[O-]	REAL300013898443	0	54	0.0	-60.08	404.73	9.02	-51.06
CC[NH+](CC)C(CNC(=O)NCC(C(=O)[O-])C(C)C)C1=CC=CC(OC)=C1	REAL300013898492	0	60	0.0	-57.04	427.67	7.86	-49.18
CC(C)C(CNC(=O)N1CC[NH+](CCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013898496	1	54	0.0	-66.16	403.31	10.43	-55.73
CC(C)C(CNC(=O)N1CCC[N@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013898500	0	54	0.0	-59.95	400.35	10.68	-49.27
CC(C)C(CNC(=O)N1CCC[N@@H+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013898500	1	54	0.0	-65.88	395.10	10.77	-55.11
CC(C)C(CNC(=O)N1CCC[N@H+](CC2=CC=C(C#N)C=C2)CC1)C(=O)[O-]	REAL300013898501	0	55	0.0	-71.08	420.98	11.09	-59.99
CC(C)C(CNC(=O)N1CCC[N@@H+](CC2=CC=C(C#N)C=C2)CC1)C(=O)[O-]	REAL300013898501	1	55	0.0	-78.25	420.92	11.08	-67.17
CC1=CC=C(C[N@H+]2CCCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)C=C1	REAL300013898502	0	57	0.0	-58.97	416.31	11.50	-47.47
CC1=CC=C(C[N@@H+]2CCCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)C=C1	REAL300013898502	1	57	0.0	-64.21	416.27	11.51	-52.70
COCC[NH+]1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898508	1	48	0.0	-63.70	359.79	5.70	-58.00
CC(C)C(CNC(=O)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013898516	1	54	0.0	-63.11	401.28	10.87	-52.24
CC(C)C(CNC(=O)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013898516	1	54	0.0	-72.23	406.51	10.78	-61.45
COC1=CC=C(C[N@@H+]2CCCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)C=C1	REAL300013898517	0	58	0.0	-66.75	424.34	10.12	-56.63
COC1=CC=C(C[N@H+]2CCCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)C=C1	REAL300013898517	1	58	0.0	-65.72	429.62	9.98	-55.74
CC(C)C(CNC(=O)N1CCC[N@H+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013898518	1	54	0.0	-65.16	416.85	11.21	-53.95
CC(C)C(CNC(=O)N1CCC[N@@H+](CC2=CC=C(Cl)C=C2)CC1)C(=O)[O-]	REAL300013898518	1	54	0.0	-71.20	416.83	11.24	-59.96
CC(C)C(CNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)C(=O)[O-]	REAL300013898531	1	51	0.0	-61.82	396.17	4.11	-57.71
CC(C)C(CNC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013898533	1	57	0.0	-57.24	404.39	5.93	-51.31
CC(C)C(CNC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013898560	0	55	0.0	-72.29	423.49	6.09	-66.20
CC(C)C(CNC(=O)NCCC[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300013898569	0	54	0.0	-69.73	407.93	5.59	-64.14
CC(C)C[NH+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898573	0	53	0.0	-66.09	391.33	7.26	-58.83
CC(C)C(CNC(=O)NCC(C(C)C)[NH+]1CCOCC1)C(=O)[O-]	REAL300013898578	1	54	0.0	-59.25	380.70	6.07	-53.18
CC(C)C(CNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)C(=O)[O-]	REAL300013898579	1	53	0.0	-62.23	405.16	6.59	-55.64
CC(C)C(CNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)C(=O)[O-]	REAL300013898580	1	50	0.0	-60.51	383.73	5.81	-54.70
CCC(CC)C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]1CCOCC1	REAL300013898583	0	60	0.0	-55.66	409.18	6.70	-48.96
CC(C)C(CNC(=O)NCC(C(C)C)[NH+]1CCN(C)CC1)C(=O)[O-]	REAL300013898585	0	58	0.0	-59.59	411.62	5.76	-53.83
CC(C)C(CNC(=O)NCC(C(C)C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013898585	1	58	0.0	-66.99	409.16	5.23	-61.76
CC[NH+](CC)C(CNC(=O)NCC(C(=O)[O-])C(C)C)CC(C)C	REAL300013898586	0	58	0.0	-59.50	399.90	8.13	-51.37
CC(C)C(CNC(=O)N(CC1=CC=CO1)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300013898589	0	54	0.0	-61.36	400.62	9.44	-51.92
CC(C)C(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013898593	0	54	0.0	-63.95	410.27	8.70	-55.25
CC(C)C(CNC(=O)NCC1=CC=CC=C1C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013898600	0	60	0.0	-68.37	460.39	11.05	-57.32
CC(C)C(CNC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C(=O)[O-]	REAL300013898605	1	57	0.0	-73.22	437.63	7.07	-66.15
CC(C)CN(CC[NH+](C)C)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013898618	0	52	0.0	-66.02	380.93	8.70	-57.32
CC(C)C(CNC(=O)N1CCC([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013898620	0	54	0.0	-64.47	376.60	8.79	-55.68
CC(C)C(CNC(=O)N1CC[NH+](C2CCCC2)CC1)C(=O)[O-]	REAL300013898627	0	51	0.0	-62.50	370.81	8.39	-54.11
CC(C)C(CNC(=O)N1CCC([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013898629	0	51	0.0	-65.04	359.69	8.03	-57.01
CC(C)C(CNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013898637	1	51	0.0	-63.57	380.72	9.57	-54.00
CC(C)C(CNC(=O)NCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300013898646	1	48	0.0	-69.42	366.05	4.14	-65.28
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898662	1	60	0.0	-66.14	432.86	9.42	-56.72
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898662	1	60	0.0	-65.72	438.85	9.30	-56.42
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898663	0	57	0.0	-58.72	416.73	11.30	-47.42
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898663	1	57	0.0	-60.53	416.49	11.36	-49.17
CC(C)C(CNC(=O)NC1CC[NH+](CCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013898672	0	57	0.0	-69.36	427.13	9.70	-59.66
CC(C)C(CNC(=O)NC1CCN(CC[NH+](C)C)CC1)C(=O)[O-]	REAL300013898673	0	55	0.0	-70.42	406.88	4.67	-65.75
CC(C)C(CNC(=O)NC1CC[NH+](CCN(C)C)CC1)C(=O)[O-]	REAL300013898673	1	55	0.0	-67.83	407.43	4.58	-63.25
CC(C)C(CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)C(=O)[O-]	REAL300013898674	0	53	0.0	-64.42	400.64	7.03	-57.39
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898675	0	57	0.0	-66.26	419.63	9.51	-56.75
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300013898677	0	60	0.0	-69.94	448.16	10.13	-59.81
CC(C)C(CNC(=O)NCC1=CC=C(C[N@@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300013898678	0	60	0.0	-66.81	443.93	9.99	-56.82
CC(C)C(CNC(=O)NCC1=CC=C(C[N@H+]2CCCCC2C)C=C1)C(=O)[O-]	REAL300013898678	1	60	0.0	-66.19	443.94	9.99	-56.20
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300013898679	0	60	0.0	-58.98	440.17	10.67	-48.31
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCCCC1C)C(=O)[O-]	REAL300013898679	1	60	0.0	-56.20	431.03	9.87	-46.33
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300013898680	0	61	0.0	-73.62	466.84	8.39	-65.23
CC(C)C(CNC(=O)NCC1=CC=C(C[N@@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300013898681	0	60	0.0	-69.28	448.11	10.10	-59.18
CC(C)C(CNC(=O)NCC1=CC=C(C[N@H+]2CCCC(C)C2)C=C1)C(=O)[O-]	REAL300013898681	1	60	0.0	-71.01	454.42	9.98	-61.03
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013898682	0	60	0.0	-59.90	445.32	10.89	-49.01
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013898682	1	60	0.0	-58.22	441.91	10.28	-47.94
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)C(=O)[O-]	REAL300013898683	0	56	0.0	-59.42	415.72	9.41	-50.01
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300013898683	1	56	0.0	-55.16	420.06	8.92	-46.24
CC(C)C(CNC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300013898684	0	54	0.0	-69.81	415.58	7.42	-62.39
CC(C)C(CNC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)C(=O)[O-]	REAL300013898685	0	54	0.0	-71.94	421.84	7.30	-64.64
CC(C)C(CNC(=O)NCC1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013898691	1	58	0.0	-81.43	439.50	7.45	-73.98
CC(C)C(CNC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)C(=O)[O-]	REAL300013898694	1	56	0.0	-57.59	420.68	7.27	-50.32
CC(C)C(CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)C(=O)[O-]	REAL300013898695	1	50	0.0	-54.96	380.79	5.78	-49.18
CC(C)C(CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)C(=O)[O-]	REAL300013898696	1	51	0.0	-60.10	390.95	4.25	-55.85
CC(C)C(CNC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013898699	0	54	0.0	-68.78	411.34	8.72	-60.06
CCN(CC)C1=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C=[NH+]1	REAL300013898726	1	52	0.0	-56.15	401.83	7.77	-48.38
CC(C)C(CNC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300013898727	0	55	0.0	-64.90	418.30	6.19	-58.71
CC(C)C(CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013898728	1	56	0.0	-56.64	411.23	7.01	-49.63
CC(C)C(CNC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)C(=O)[O-]	REAL300013898729	1	54	0.0	-57.97	411.85	4.75	-53.22
CC(C)C(CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C(=O)[O-]	REAL300013898730	1	53	0.0	-55.36	399.58	6.50	-48.86
CC(C)C(CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)C(=O)[O-]	REAL300013898754	1	51	0.0	-64.17	393.59	4.52	-59.65
CC(C)C(CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300013898755	0	54	0.0	-68.75	412.24	8.85	-59.90
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300013898756	0	56	0.0	-69.50	421.86	8.53	-60.97
CC(C)C(CNC(=O)N(CCC1=CC=CC=C1)CC[NH+](C)C)C(=O)[O-]	REAL300013898770	0	56	0.0	-59.60	428.45	10.94	-48.66
CC(C)C(CNC(=O)N(CC[NH+](C)C)CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300013898771	0	54	0.0	-63.74	430.81	10.69	-53.05
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300013898808	0	60	0.0	-70.23	457.04	8.64	-61.59
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013898809	0	60	0.0	-56.07	452.15	8.39	-47.68
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C=N2)CC1	REAL300013898811	0	58	0.0	-69.32	434.98	6.89	-62.43
CC[NH+]1CCN(CC2=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C=C2)CC1	REAL300013898812	0	62	0.0	-69.56	461.56	7.72	-61.84
CCN1CC[NH+](CC2=CC=C(CNC(=O)NCC(C(=O)[O-])C(C)C)C=C2)CC1	REAL300013898812	1	62	0.0	-69.55	461.93	7.74	-61.81
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898813	0	62	0.0	-38.76	455.17	7.97	-30.79
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898813	1	62	0.0	-59.68	459.06	8.51	-51.17
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+]2CC(C)CC(C)C2)C=C1)C(=O)[O-]	REAL300013898815	0	63	0.0	-69.64	468.95	10.69	-58.95
CC(C)C(CNC(=O)NCC1=CC=CC=C1C[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013898816	0	63	0.0	-48.47	457.75	11.41	-37.06
CC(C)C(CNC(=O)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1)C(=O)[O-]	REAL300013898826	1	57	0.0	-60.85	438.17	8.79	-52.06
CC(C)C(CNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013898828	0	54	0.0	-59.79	417.99	9.99	-49.80
CC(C)C(CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013898829	1	51	0.0	-79.54	386.13	4.84	-74.70
CC[NH+](CC)C(CNC(=O)NCC(C(=O)[O-])C(C)C)C1=CSC=C1	REAL300013898833	0	53	0.0	-56.93	391.80	8.64	-48.29
CC(C)C(CNC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013898834	0	59	0.0	-56.41	415.26	9.11	-47.30
CC[NH+](CC)C(CNC(=O)NCC(C(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300013898836	0	59	0.0	-53.86	421.45	9.15	-44.71
CC(C)C(CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013898837	0	64	0.0	-77.20	469.92	8.41	-68.79
CC(C)C(CNC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013898838	0	51	0.0	-67.85	391.48	7.90	-59.95
CC(C)C(CNC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013898838	1	51	0.0	-67.79	391.46	7.90	-59.89
CC(C)C(CNC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)C(=O)[O-]	REAL300013898840	0	46	0.0	-59.86	363.51	5.79	-54.07
CC(C)C(CNC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013898841	1	46	0.0	-55.47	357.82	5.86	-49.61
CCC(CNC(=O)NCC(C(=O)[O-])C(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013898842	0	57	0.0	-61.78	418.31	9.86	-51.92
CCC(CNC(=O)NCC(C(=O)[O-])C(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300013898842	1	57	0.0	-58.14	411.97	10.01	-48.13
CC(C)C(CNC(=O)NCC(C1CCCCC1)[NH+](C)C)C(=O)[O-]	REAL300013898843	0	56	0.0	-56.99	390.09	8.35	-48.64
CC(C)C(CNC(=O)NCC(C1=CSC=C1)[NH+](C)C)C(=O)[O-]	REAL300013898845	0	47	0.0	-67.27	374.41	6.49	-60.78
CC(C)C(CNC(=O)NCC(C)[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013898846	0	53	0.0	-60.12	378.11	7.01	-53.11
CC(C)C(CNC(=O)NCC(C)[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013898846	1	53	0.0	-58.18	378.70	7.42	-50.76
CC(C)C(CNC(=O)NCCC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300013898847	0	56	0.0	-66.98	409.19	7.71	-59.27
CC(C)C(CNC(=O)NCCC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300013898847	1	56	0.0	-65.12	402.93	7.85	-57.27
CC(C)C(CNC(=O)NCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013898849	0	56	0.0	-66.98	416.44	7.73	-59.25
CC(C)C(CNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013898850	0	54	0.0	-71.13	412.97	8.69	-62.44
CC(C)C(CNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300013898850	1	54	0.0	-68.60	407.72	8.80	-59.80
CC(C)C(CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013898853	0	54	0.0	-56.17	402.96	10.16	-46.01
CC(C)C(CNC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013898856	0	50	0.0	-61.91	375.13	7.61	-54.30
CC(C)C(CNC(=O)NCC[NH+](C(C)C)C(C)C)C(=O)[O-]	REAL300013898857	0	52	0.0	-60.40	372.98	5.89	-54.51
CC(C)C(CNC(=O)NCCC[N@@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013898880	0	62	0.0	-66.01	465.28	7.52	-58.49
CC(C)C(CNC(=O)NCCC[N@H+]1CCN(C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013898880	1	62	0.0	-65.56	447.27	7.05	-58.51
CC(C)C(CNC(=O)NCCCN1CC[N@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013898880	1	62	0.0	-70.96	454.02	7.72	-63.24
CC(C)C(CNC(=O)NCCCN1CC[N@@H+](C)CC1C1=CC=CC=C1)C(=O)[O-]	REAL300013898880	1	62	0.0	-74.34	459.25	7.42	-66.92
CC(C)C(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013898881	0	59	0.0	-69.60	437.32	7.60	-62.00
CC(C)C(CNC(=O)NCCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013898882	0	62	0.0	-69.46	462.65	7.73	-61.73
CC(C)C(CNC(=O)NCCC[NH+]1CCN(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013898882	1	62	0.0	-68.29	461.66	7.81	-60.48
CC(C)C(CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013898883	0	55	0.0	-71.29	393.67	7.58	-63.71
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898890	0	66	0.0	-74.97	479.04	8.62	-66.35
CC(C)C(CNC(=O)NCC1([NH+](C)C)CCCCC1)C(=O)[O-]	REAL300013898939	0	53	0.0	-56.20	361.74	7.48	-48.72
CC(C)C(CNC(=O)NCCCC[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013898940	0	56	0.0	-68.61	416.67	7.91	-60.70
CC(C)C(CNC(=O)NCCCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300013898941	0	56	0.0	-66.70	406.20	7.50	-59.20
CC(C)C(CNC(=O)NCCCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300013898941	1	56	0.0	-63.74	407.69	7.91	-55.83
CC(C)C(CNC(=O)NCCCC[N@@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013898942	0	56	0.0	-65.67	404.12	8.07	-57.60
CC(C)C(CNC(=O)NCCCC[N@H+]1CCCC(C)C1)C(=O)[O-]	REAL300013898942	1	56	0.0	-68.07	417.11	7.91	-60.16
CCN1CC[NH+](CCCCNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898943	0	58	0.0	-67.04	424.62	5.69	-61.35
CC[NH+]1CCN(CCCCNC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898943	1	58	0.0	-67.34	424.12	5.66	-61.68
CC(C)C(CNC(=O)NCCCC[NH+]1CC(C)CC(C)C1)C(=O)[O-]	REAL300013898945	0	59	0.0	-66.39	431.68	8.65	-57.74
CC(C)C(CNC(=O)NCC(C)[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013898962	1	59	0.0	-63.18	432.31	7.28	-55.90
CC(C)C(CNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013898963	1	56	0.0	-69.32	422.24	6.88	-62.44
CC1=CC=CC(N2CC[NH+](CCCNC(=O)NCC(C(=O)[O-])C(C)C)CC2)=C1	REAL300013898965	0	62	0.0	-72.05	464.98	8.15	-63.90
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013898966	1	57	0.0	-69.41	426.23	5.28	-64.13
CC(C)C(CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C(=O)[O-]	REAL300013898968	1	58	0.0	-84.48	423.34	7.76	-76.72
C=CC[NH+](CC=C)C(CNC(=O)NCC(C(=O)[O-])C(C)C)C(C)C	REAL300013898981	0	57	0.0	-55.29	407.48	7.95	-47.34
COC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]2CCCC2)C=C1	REAL300013898982	0	58	0.0	-64.66	438.19	7.92	-56.74
CC(C)C(CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(=O)[O-]	REAL300013898983	0	60	0.0	-55.84	403.77	9.30	-46.54
COC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300013898984	0	54	0.0	-69.39	412.29	6.80	-62.59
CC(C)C(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C(=O)[O-]	REAL300013899003	0	54	0.0	-56.98	403.71	7.55	-49.43
CC(C)C(CNC(=O)NCC(C1=CC=CO1)[NH+](C)C)C(=O)[O-]	REAL300013899004	1	47	0.0	-57.91	360.62	6.15	-51.76
CC(C)C(CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)[O-]	REAL300013899008	0	58	0.0	-57.31	403.49	6.03	-51.28
COC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]2CCCCC2)C=C1	REAL300013899009	0	61	0.0	-61.05	447.02	8.31	-52.74
COC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1OC	REAL300013899018	0	58	0.0	-66.85	431.59	7.77	-59.08
CC(C)C(CNC(=O)NCC(C1=CC=CS1)[NH+](C)C)C(=O)[O-]	REAL300013899021	0	47	0.0	-61.67	367.26	6.27	-55.40
CC(C)C(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C(=O)[O-]	REAL300013899054	0	51	0.0	-57.90	386.39	6.78	-51.12
CC(C)C(CNC(=O)NCC(C)(C)[NH+]1CCCCC1)C(=O)[O-]	REAL300013899063	0	53	0.0	-53.92	372.19	7.00	-46.92
COC1=CC=CC=C1C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]1CCCC1	REAL300013899071	0	58	0.0	-55.02	431.89	8.69	-46.33
CC(C)C(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013899072	0	57	0.0	-58.59	432.40	9.20	-49.39
CC[NH+](CC)C(CNC(=O)NCC(C(=O)[O-])C(C)C)C1=CC=CC=C1Cl	REAL300013899074	0	56	0.0	-64.16	416.63	9.03	-55.13
CC(C)C(CNC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300013899075	0	53	0.0	-55.94	389.52	9.02	-46.92
CC(C)C(CNC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)C(=O)[O-]	REAL300013899078	0	50	0.0	-69.94	383.33	7.70	-62.24
CCC1=CC=C(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+](C)C)C=C1	REAL300013899079	0	56	0.0	-67.01	425.69	8.94	-58.07
CC(C)C(CNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013899082	0	59	0.0	-70.86	446.80	6.91	-63.95
CC(C)C(CNC(=O)NCC(C1=CC=CS1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013899083	1	56	0.0	-64.74	422.77	6.09	-58.65
CC[NH+](CC)C(CNC(=O)NCC(C(=O)[O-])C(C)C)C1=CC=CC=C1	REAL300013899084	0	56	0.0	-56.64	408.97	8.61	-48.03
CC(C)C(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C(=O)[O-]	REAL300013899085	0	51	0.0	-54.09	385.54	7.45	-46.64
CC(C)C(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013899107	0	51	0.0	-64.76	387.55	8.04	-56.72
CC(C)C(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013899107	1	51	0.0	-65.40	389.96	8.22	-57.18
CC(C)C(CNC(=O)N1CC[NH+](CC2CCCO2)CC1)C(=O)[O-]	REAL300013899112	1	52	0.0	-62.67	377.94	7.05	-55.62
COC1=CC=CC(C(CNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]2CCCC2)=C1	REAL300013899118	0	58	0.0	-61.34	436.01	8.67	-52.67
CC(C)C(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C(=O)[O-]	REAL300013899119	0	54	0.0	-54.72	418.43	9.44	-45.28
CC(C)C(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)C(=O)[O-]	REAL300013899120	1	50	0.0	-57.99	391.35	8.22	-49.77
CC1=CC=CC(C[NH+]2CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)=C1	REAL300013899122	1	54	0.0	-61.84	407.42	10.11	-51.73
CC1=CC=CC=C1C[NH+]1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013899130	1	54	0.0	-64.89	402.11	10.09	-54.80
CC(C)C(CNC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300013899150	0	50	0.0	-70.32	385.70	7.65	-62.67
CC(C)C(CNC(=O)NCC1([NH+](C)C)CCCCCC1)C(=O)[O-]	REAL300013899190	0	56	0.0	-63.30	379.90	7.45	-55.85
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013899203	0	56	0.0	-68.32	433.48	10.77	-57.55
COCC[N@H+](C)CCCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013899213	0	50	0.0	-67.39	383.46	4.51	-62.88
COCC[N@@H+](C)CCCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013899213	1	50	0.0	-66.89	383.47	4.52	-62.37
CC[NH+](CC)CCN(CC(C)C)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013899223	0	58	0.0	-58.22	414.29	10.30	-47.92
CC(C)CC(C[NH+](C)C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013899226	0	52	0.0	-66.46	379.12	6.75	-59.71
COCC(C)(C)[NH+]1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013899255	0	54	0.0	-59.74	388.03	6.44	-53.30
CC(C)C(CNC(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1)C(=O)[O-]	REAL300013899277	0	55	0.0	-65.13	408.98	10.28	-54.85
CC(C)C(CNC(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1)C(=O)[O-]	REAL300013899277	1	55	0.0	-63.31	402.18	9.83	-53.48
CC(C)C(CNC(=O)N1CC(C)[N@H+](CC2=CC=CC=C2)C(C)C1C)C(=O)[O-]	REAL300013899285	0	60	0.0	-63.50	416.44	10.08	-53.42
CC(C)C(CNC(=O)N1CC(C)[N@@H+](CC2=CC=CC=C2)C(C)C1C)C(=O)[O-]	REAL300013899285	1	60	0.0	-63.43	424.10	10.93	-52.50
CC(C)C(CNC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013899292	1	54	0.0	-57.51	391.73	5.91	-51.60
CC(C)C(CNC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-]	REAL300013899292	1	54	0.0	-61.07	389.33	5.42	-55.65
CCC(C)(C)[NH+]1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013899302	0	53	0.0	-57.75	365.43	7.83	-49.92
CC(C)C[N@H+](C)CCCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013899308	0	52	0.0	-65.19	383.53	6.93	-58.26
CC(C)C[N@@H+](C)CCCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013899308	1	52	0.0	-67.19	390.01	6.78	-60.41
CC[N@H+](CCCNC(=O)NCC(C(=O)[O-])C(C)C)C1CCCCC1	REAL300013899333	0	59	0.0	-65.97	421.94	8.07	-57.90
CC[N@@H+](CCCNC(=O)NCC(C(=O)[O-])C(C)C)C1CCCCC1	REAL300013899333	1	59	0.0	-66.06	422.86	8.10	-57.96
CCCCC[N@H+](CCNC(=O)NCC(C(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300013899335	0	62	0.0	-64.69	454.02	9.96	-54.73
CCCCC[N@@H+](CCNC(=O)NCC(C(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300013899335	1	62	0.0	-65.43	459.33	9.85	-55.58
CC(C)C(CNC(=O)N1CC[N@H+](C)CC1CC1=CC=CC=C1)C(=O)[O-]	REAL300013899336	1	54	0.0	-60.89	402.40	9.99	-50.90
CC(C)C(CNC(=O)N1CC[N@@H+](C)CC1CC1=CC=CC=C1)C(=O)[O-]	REAL300013899336	1	54	0.0	-68.81	405.56	10.69	-58.12
CC(C)C(CNC(=O)NC1CCC[N@@H+]2CCCCC12)C(=O)[O-]	REAL300013899358	0	51	0.0	-61.17	368.33	7.20	-53.97
CC(C)C(CNC(=O)NC1CCC[N@H+]2CCCCC12)C(=O)[O-]	REAL300013899358	1	51	0.0	-61.84	364.04	7.81	-54.03
CC(C)C(CNC(=O)NC1CC[NH+](CC2=CC=CC(C#N)=C2)CC1)C(=O)[O-]	REAL300013899361	0	55	0.0	-78.24	425.85	9.26	-68.98
CC(C)C(CNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013899371	1	51	0.0	-63.57	380.72	9.57	-54.00
CC[NH+](CC)CCN(CC1=CC=C(Cl)C=C1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013899409	0	59	0.0	-54.21	450.66	12.01	-42.20
CC(C)C(CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C(=O)[O-]	REAL300013899423	0	53	0.0	-58.89	400.72	7.22	-51.67
CC(C)C(CNC(=O)N1CCC([N@H+](C)CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013899430	0	57	0.0	-70.25	426.80	10.77	-59.48
CC(C)C(CNC(=O)N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013899430	1	57	0.0	-72.12	433.05	10.61	-61.51
CC(C)C(CNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013899434	0	56	0.0	-74.73	419.37	7.73	-67.00
CC[N@@H+]1CCCC(CN(C)C(=O)NCC(C(=O)[O-])C(C)C)C1C1=CN(C)N=C1	REAL300013899439	0	63	0.0	-65.54	454.82	9.78	-55.76
CC[N@H+]1CCCC(CN(C)C(=O)NCC(C(=O)[O-])C(C)C)C1C1=CN(C)N=C1	REAL300013899439	1	63	0.0	-62.01	454.23	9.53	-52.48
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013899441	0	60	0.0	-69.76	440.87	5.77	-63.99
CC(C)C(CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1)C(=O)[O-]	REAL300013899449	0	58	0.0	-67.09	412.58	6.34	-60.75
CC(C)C(CNC(=O)NCC1=CC=C[NH+]=C1N1CCCC1)C(=O)[O-]	REAL300013899474	1	50	0.0	-63.00	378.28	6.70	-56.30
CC(C)C(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C[C@@H]1C(C)C)C(=O)[O-]	REAL300013899500	0	60	0.0	-59.27	424.05	10.67	-48.60
CC(C)C(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(C)C)C(=O)[O-]	REAL300013899500	1	60	0.0	-70.85	438.93	11.84	-59.01
CC(C)C(CNC(=O)NC(C)C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013899503	0	53	0.0	-64.32	392.89	7.66	-56.66
CC(C)C(CNC(=O)NC1(C[NH+]2CCN(C3=CC=CC=C3)CC2)CC1)C(=O)[O-]	REAL300013899510	0	60	0.0	-68.52	442.83	8.41	-60.11
CC(C)C(CNC(=O)NC1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300013899575	0	54	0.0	-61.72	389.43	7.68	-54.04
CC(C)C(CNC(=O)NC1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300013899575	1	54	0.0	-61.03	390.01	7.71	-53.32
CC(C)C(CNC(=O)NCC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013899600	0	54	0.0	-67.89	403.86	8.05	-59.84
CC(C)C(CNC(=O)NCC1C[N@H+](C)CCN1CC1=CC=CC=C1)C(=O)[O-]	REAL300013899605	1	59	0.0	-69.93	427.64	5.86	-64.07
CC(C)C(CNC(=O)NCC1C[N@@H+](C)CCN1CC1=CC=CC=C1)C(=O)[O-]	REAL300013899605	1	59	0.0	-65.30	436.94	7.39	-57.91
CC(C)C(CNC(=O)N1CCOC(CCC[NH+](C)C)C1)C(=O)[O-]	REAL300013899610	0	54	0.0	-70.05	403.25	7.28	-62.77
CC(C)C(CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)[O-]	REAL300013899618	1	56	0.0	-68.87	411.14	6.60	-62.27
CC(C)C(CNC(=O)NC1CC[NH+](C2CCOC2)CC1)C(=O)[O-]	REAL300013899625	0	52	0.0	-69.18	385.94	5.13	-64.05
CC(C)C(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C(=O)[O-]	REAL300013899648	0	61	0.0	-72.22	457.28	10.24	-61.98
CC(C)C(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C(=O)[O-]	REAL300013899648	1	61	0.0	-72.25	457.02	10.23	-62.02
CC(C)C(CNC(=O)N(C)CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013899685	0	58	0.0	-67.90	427.27	8.14	-59.76
CC(C)C(CNC(=O)N(C)CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013899685	1	58	0.0	-66.34	434.73	7.89	-58.45
CC(C)C(CNC(=O)NCCC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300013899688	0	56	0.0	-66.09	405.56	7.35	-58.74
CC(C)C(CNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013899690	0	60	0.0	-67.84	445.15	10.10	-57.74
CC(C)C(CNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1)C(=O)[O-]	REAL300013899696	1	51	0.0	-64.21	405.96	6.18	-58.03
CCC1([NH+]2CCOCC2)CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013899720	0	58	0.0	-63.46	389.42	7.26	-56.20
CCC1([NH+](C)C)CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013899733	0	53	0.0	-67.02	363.95	7.74	-59.28
CC(C)C(CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013899747	0	54	0.0	-59.54	369.33	8.31	-51.23
CCC1([NH+]2CCCC2)CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013899754	0	57	0.0	-64.35	390.48	8.86	-55.49
CC(C)C(CNC(=O)NC(C[NH+](C)C)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300013899758	0	50	0.0	-50.14	406.59	8.93	-41.21
COCCN(CC1CC[NH+](C)CC1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013899764	0	57	0.0	-66.08	415.16	8.12	-57.96
CC(C)C(CNC(=O)N1CCC2(CC1)CC[NH+](C)CC2)C(=O)[O-]	REAL300013899766	0	54	0.0	-73.08	378.82	8.36	-64.72
CC(C)C(CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013899768	0	55	0.0	-67.22	382.18	6.40	-60.82
CC(C)C(CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)C(=O)[O-]	REAL300013899772	0	51	0.0	-62.80	373.76	3.81	-58.99
CC(C)C(CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)C(=O)[O-]	REAL300013899772	1	51	0.0	-66.45	379.10	3.86	-62.59
CC(C)C(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013899781	0	57	0.0	-64.70	431.26	9.02	-55.68
CC(C)C(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013899781	1	57	0.0	-62.57	430.78	9.39	-53.18
CC(C)C(CNC(=O)NC1CCCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013899791	0	60	0.0	-63.46	425.30	9.98	-53.48
CC(C)C(CNC(=O)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013899791	1	60	0.0	-64.75	425.62	9.90	-54.85
CC(C)C(CNC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013899812	0	51	0.0	-79.83	390.24	6.33	-73.50
CC(C)C(CNC(=O)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013899874	0	57	0.0	-60.74	417.76	9.74	-51.00
CC(C)C(CNC(=O)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013899874	1	57	0.0	-57.57	410.02	9.05	-48.52
CC(C)C(CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013899884	0	57	0.0	-60.27	415.29	8.94	-51.33
CC(C)C(CNC(=O)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013899884	1	57	0.0	-62.82	424.19	9.60	-53.22
CC(C)C(CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)C(=O)[O-]	REAL300013899886	0	56	0.0	-64.83	396.64	6.46	-58.37
CC(C)C(CNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)C(=O)[O-]	REAL300013899886	1	56	0.0	-69.50	396.89	6.60	-62.90
CC(C)C(CNC(=O)NCC1C2=CC=CC=C2C[N@H+]1C)C(=O)[O-]	REAL300013899889	1	48	0.0	-56.02	368.80	7.49	-48.53
CC(C)C(CNC(=O)NCC1C2=CC=CC=C2C[N@@H+]1C)C(=O)[O-]	REAL300013899889	1	48	0.0	-58.85	374.06	7.38	-51.47
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013899897	1	58	0.0	-67.67	434.53	7.82	-59.85
CC1=CC=CC=C1C[N@H+]1CCOC(CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013899897	1	58	0.0	-66.97	427.38	7.79	-59.18
CC(C)C(CNC(=O)NC1CCC(C)([NH+](C)C)CC1)C(=O)[O-]	REAL300013899902	0	53	0.0	-68.92	374.38	6.33	-62.59
CC1=CC=C(C[N@H+]2CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C2)C=C1	REAL300013899922	0	54	0.0	-64.75	409.00	8.71	-56.04
CC1=CC=C(C[N@@H+]2CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C2)C=C1	REAL300013899922	1	54	0.0	-66.95	415.84	8.72	-58.23
CO[C@H]1C[C@@H](CNC(=O)NCC(C(=O)[O-])C(C)C)N(C2=CC(C)=[NH+]C=N2)C1	REAL300013899934	1	56	0.0	-56.81	426.33	6.10	-50.71
CC(C)C(CNC(=O)N(C)C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013899935	0	60	0.0	-56.39	436.49	11.64	-44.75
CC(C)C(CNC(=O)N(C)C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013899935	1	60	0.0	-59.93	432.27	11.01	-48.92
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCC(C(=O)[O-])C(C)C	REAL300013899937	0	59	0.0	-62.14	420.08	10.33	-51.81
CC(C)C(CNC(=O)N1CCN(C)C2=[NH+]C=CC=C2C1)C(=O)[O-]	REAL300013899951	1	47	0.0	-61.05	356.03	6.78	-54.27
CC(C)C(CNC(=O)N(C)CCCC[NH+]1CCCCC1)C(=O)[O-]	REAL300013899970	0	56	0.0	-65.96	407.19	9.83	-56.13
CC(C)C(CNC(=O)NC1CCC[N@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013899972	0	60	0.0	-66.46	434.50	4.39	-62.07
CC(C)C(CNC(=O)NC1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)[O-]	REAL300013899972	1	60	0.0	-68.75	434.49	4.38	-64.37
CCC1=CC=C(C[NH+]2CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)C=C1	REAL300013899991	1	57	0.0	-66.01	428.89	10.89	-55.12
CC(C)C(CNC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013899995	0	56	0.0	-71.69	420.47	6.80	-64.89
CC(C)C(CNC(=O)N1CC[NH+](C(C)C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013899997	1	54	0.0	-63.33	401.00	10.08	-53.25
CC(C)C(CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013899998	0	58	0.0	-67.96	397.03	5.48	-62.48
CCC1([NH+]2CCCCC2)CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013900006	0	60	0.0	-59.81	406.02	9.58	-50.23
CC(C)C(CNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013900021	0	64	0.0	-71.61	456.80	9.65	-61.96
CC(C)C(CNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013900021	1	64	0.0	-75.36	456.61	9.57	-65.79
CC(C)C(CNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013900026	0	61	0.0	-71.27	436.03	9.08	-62.19
CC(C)C(CNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013900026	1	61	0.0	-74.83	435.14	8.99	-65.84
CC(C)C(CNC(=O)N(C)C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013900036	0	60	0.0	-58.65	431.47	11.01	-47.64
CC(C)C(CNC(=O)N(C)C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300013900036	1	60	0.0	-58.06	434.40	11.66	-46.40
CC(C)C(CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)C(=O)[O-]	REAL300013900097	0	57	0.0	-65.94	391.27	8.84	-57.10
CC(C)C(CNC(=O)NCC1([N@H+](C)CC2=CC=CC=C2)CCCCC1)C(=O)[O-]	REAL300013900099	0	63	0.0	-58.97	436.08	11.12	-47.85
CC(C)C(CNC(=O)NCC1([N@@H+](C)CC2=CC=CC=C2)CCCCC1)C(=O)[O-]	REAL300013900099	1	63	0.0	-61.69	447.19	10.19	-51.50
CC(C)C(CNC(=O)N1C[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@@]2(C)C1)C(=O)[O-]	REAL300013900101	0	58	0.0	-76.33	436.53	10.65	-65.68
CC(C)C(CNC(=O)N1C[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@]2(C)C1)C(=O)[O-]	REAL300013900101	1	58	0.0	-65.36	430.04	10.80	-54.56
CC(C)C(CNC(=O)NCC1([N@H+](C)CC2=CC=CC=C2)CCOCC1)C(=O)[O-]	REAL300013900129	0	61	0.0	-56.46	430.57	8.75	-47.71
CC(C)C(CNC(=O)NCC1([N@@H+](C)CC2=CC=CC=C2)CCOCC1)C(=O)[O-]	REAL300013900129	1	61	0.0	-61.59	428.93	8.69	-52.90
CCOC(CNC(=O)NCC(C(=O)[O-])C(C)C)C[NH+](C)C	REAL300013900134	0	50	0.0	-65.51	382.90	4.68	-60.83
CC[N@@H+]1CCCN(C(=O)NCC(C(=O)[O-])C(C)C)CCOCC1	REAL300013900173	0	54	0.0	-63.30	381.30	7.21	-56.09
CC[N@H+]1CCCN(C(=O)NCC(C(=O)[O-])C(C)C)CCOCC1	REAL300013900173	1	54	0.0	-62.10	375.15	7.28	-54.82
CC(C)C(CNC(=O)NC1CCC[N@@H+]2CCSCC12)C(=O)[O-]	REAL300013900182	0	49	0.0	-69.56	373.93	6.83	-62.73
CC(C)C(CNC(=O)NC1CCC[N@H+]2CCSCC12)C(=O)[O-]	REAL300013900182	1	49	0.0	-67.43	367.39	7.00	-60.43
CC(C)C(CNC(=O)NCC1=CC(N(C)C)=CC=[NH+]1)C(=O)[O-]	REAL300013900205	0	46	0.0	-55.59	359.40	4.72	-50.87
CC(C)C(CNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1)C(=O)[O-]	REAL300013900229	0	57	0.0	-61.26	396.56	7.90	-53.36
CCC1([NH+]2CCC2)CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013900233	0	54	0.0	-66.16	369.23	7.66	-58.50
CC(C)C(CNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1)C(=O)[O-]	REAL300013900238	0	58	0.0	-70.94	421.55	11.30	-59.64
CC(C)C(CNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1)C(=O)[O-]	REAL300013900238	1	58	0.0	-65.62	422.41	10.75	-54.87
CC(C)C(CNC(=O)N1CCN(C2=CC=[NH+]C=C2)CC1C)C(=O)[O-]	REAL300013900251	0	50	0.0	-63.55	364.26	6.35	-57.20
CC(C)C(CNC(=O)NC(CC[NH+](C)C)C1=CC=CN=C1)C(=O)[O-]	REAL300013900270	0	52	0.0	-62.91	400.26	7.30	-55.61
CC1=CC=C(NCCNC(=O)NCC(C(=O)[O-])C(C)C)[NH+]=C1	REAL300013900293	1	46	0.0	-59.53	361.88	4.89	-54.64
CC1=CC=CC(NCCNC(=O)NCC(C(=O)[O-])C(C)C)=[NH+]1	REAL300013900294	1	46	0.0	-58.06	361.82	4.83	-53.23
CC(C)CC1C[N@H+](C)CCN1C(=O)NCC(C(=O)[O-])C(C)C	REAL300013900304	0	53	0.0	-64.96	377.83	8.18	-56.78
CC(C)CC1C[N@@H+](C)CCN1C(=O)NCC(C(=O)[O-])C(C)C	REAL300013900304	1	53	0.0	-63.69	373.01	8.37	-55.32
CC(C)C(CNC(=O)N1CCN(C2=NC(N)=[NH+]C(C3CC3)=N2)CC1)C(=O)[O-]	REAL300013900342	1	54	0.0	-63.27	416.84	9.38	-53.89
CC(C)C(CNC(=O)N1CCN(C2=NC(N)=NC(C3CC3)=[NH+]2)CC1)C(=O)[O-]	REAL300013900342	1	54	0.0	-58.19	415.54	9.32	-48.87
CC(C)C(CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)C(=O)[O-]	REAL300013900415	0	54	0.0	-64.28	376.30	7.39	-56.89
CC[NH+](CC)CC(CC)(CC)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013900417	0	58	0.0	-58.95	387.10	8.95	-50.00
CC(C)C(CNC(=O)NC1CCC2C[N@H+](C)CC2C1)C(=O)[O-]	REAL300013900448	0	51	0.0	-71.24	371.55	6.80	-64.44
CC(C)C(CNC(=O)NC1CCC2C[N@@H+](C)CC2C1)C(=O)[O-]	REAL300013900448	1	51	0.0	-71.08	371.57	6.80	-64.28
CC(C)C(CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013900517	0	58	0.0	-65.61	396.57	6.27	-59.34
CC(C)C(CNC(=O)N1CCC2C1CCC[N@@H+]2CCO)C(=O)[O-]	REAL300013900526	0	52	0.0	-66.57	380.63	4.51	-62.06
CC(C)C(CNC(=O)N1CCC2C1CCC[N@H+]2CCO)C(=O)[O-]	REAL300013900526	1	52	0.0	-69.06	369.38	4.33	-64.73
CC(C)C(CNC(=O)N(C)CC(C)(C)C[NH+](C)C)C(=O)[O-]	REAL300013900528	0	52	0.0	-68.67	365.46	7.64	-61.03
CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013900532	0	52	0.0	-57.24	382.63	7.07	-50.17
CC(C)C(CNC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)C(=O)[O-]	REAL300013900551	0	58	0.0	-64.52	426.62	8.02	-56.50
CC(C)C(CNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013900552	0	60	0.0	-66.26	435.94	9.73	-56.53
CC(C)C(CNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013900552	1	60	0.0	-69.66	443.18	9.94	-59.72
CC(C)C(CNC(=O)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013900589	0	61	0.0	-74.51	448.37	10.02	-64.49
CC(C)C(CNC(=O)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1)C(=O)[O-]	REAL300013900589	1	61	0.0	-71.98	442.34	10.40	-61.58
CC(C)C(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1)C(=O)[O-]	REAL300013900610	1	54	0.0	-62.07	390.95	10.19	-51.88
CC(C)C(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1)C(=O)[O-]	REAL300013900610	1	54	0.0	-63.41	402.65	9.88	-53.53
CCC(C)[NH+]1CCC(NC(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013900611	0	53	0.0	-61.79	375.83	7.01	-54.78
CC(C)C(CNC(=O)N1CC2CCC([NH+](C)C)CC2C1)C(=O)[O-]	REAL300013900642	0	54	0.0	-75.02	391.17	8.39	-66.63
CCN1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC[N@H+](CC)CC1	REAL300013900657	0	58	0.0	-61.66	388.30	6.73	-54.93
CCN1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC[N@@H+](CC)CC1	REAL300013900657	1	58	0.0	-59.62	388.83	6.68	-52.94
CC(C)C(CNC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)[O-]	REAL300013900663	0	50	0.0	-68.96	382.77	4.94	-64.02
CC(C)C(CNC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300013900676	0	61	0.0	-61.45	427.97	5.72	-55.73
CC(C)C(CNC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300013900681	0	50	0.0	-63.65	369.09	4.65	-59.00
CC(C)C(CNC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)C(=O)[O-]	REAL300013900681	1	50	0.0	-68.01	375.32	4.63	-63.38
CC[NH+](CC)CCC(NC(=O)NCC(C(=O)[O-])C(C)C)C1=CC=CC=C1	REAL300013900682	0	59	0.0	-58.68	437.71	10.16	-48.52
CC(C)C(CNC(=O)NC(C)CC1CCCC[N@@H+]1C)C(=O)[O-]	REAL300013900691	0	53	0.0	-66.54	376.36	7.08	-59.46
CC(C)C(CNC(=O)NC(C)CC1CCCC[N@H+]1C)C(=O)[O-]	REAL300013900691	1	53	0.0	-55.92	382.63	7.09	-48.83
CC(C)C(CNC(=O)NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013900693	0	51	0.0	-70.32	402.38	6.47	-63.85
CC(C)C(CNC(=O)N1C[C@H]2C[C@H](CO)[N@H+](C)[C@H]2C1)C(=O)[O-]	REAL300013900702	0	49	0.0	-63.64	349.39	4.22	-59.42
CC(C)C(CNC(=O)N1C[C@H]2C[C@H](CO)[N@@H+](C)[C@H]2C1)C(=O)[O-]	REAL300013900702	1	49	0.0	-54.07	351.60	4.51	-49.56
CC(C)C(CNC(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1)C(=O)[O-]	REAL300013900708	1	50	0.0	-64.73	381.21	7.45	-57.28
CC(C)C(CNC(=O)N(C)CCC[NH+]1CCOCC1)C(=O)[O-]	REAL300013900709	1	51	0.0	-62.59	377.14	6.65	-55.94
COC(=O)[C@]12CN(C(=O)NCC(C(=O)[O-])C(C)C)C[C@H]1C[N@H+](C)CC2	REAL300013900713	0	54	0.0	-65.90	405.83	7.71	-58.19
COC(=O)[C@]12CN(C(=O)NCC(C(=O)[O-])C(C)C)C[C@H]1C[N@@H+](C)CC2	REAL300013900713	1	54	0.0	-77.46	402.45	7.76	-69.70
CC(C)C(CNC(=O)N(C)C1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300013900738	0	56	0.0	-62.54	388.31	8.73	-53.81
CC(C)C(CNC(=O)NC1CC[NH+](CC2CCCO2)CC1)C(=O)[O-]	REAL300013900747	0	55	0.0	-65.51	408.49	6.22	-59.29
CC(C)C(CNC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013900757	1	56	0.0	-66.10	415.81	6.81	-59.29
CC(C)C(CNC(=O)NCC[NH+]1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300013900778	1	48	0.0	-64.80	367.65	7.09	-57.71
CC(C)C(CNC(=O)NC1CC2CCCC(C1)[NH+]2CC1=CC=CC=C1)C(=O)[O-]	REAL300013900782	0	61	0.0	-66.14	432.50	9.80	-56.34
CO[C@@H]1C[C@@H](CNC(=O)NCC(C(=O)[O-])C(C)C)[N@H+](CC2=CC=CC=C2)C1	REAL300013900787	0	58	0.0	-60.57	442.63	7.71	-52.86
CO[C@@H]1C[C@@H](CNC(=O)NCC(C(=O)[O-])C(C)C)[N@@H+](CC2=CC=CC=C2)C1	REAL300013900787	1	58	0.0	-58.29	432.79	7.26	-51.03
CC(C)C(CNC(=O)NC1(C)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013900791	0	54	0.0	-68.45	408.53	8.37	-60.08
CC(C)C(CNC(=O)NC1(C)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013900791	1	54	0.0	-66.93	403.17	8.46	-58.47
CC(C)C(CNC(=O)N1CC[NH+](C2CCCC2O)CC1)C(=O)[O-]	REAL300013900815	0	52	0.0	-59.44	374.28	5.25	-54.19
CC(C)C(CNC(=O)N1CC[N@H+](CC2CN(C)CCO2)CC1C)C(=O)[O-]	REAL300013900828	1	60	0.0	-60.25	433.91	5.86	-54.39
CC(C)C(CNC(=O)N1CC[N@@H+](CC2CN(C)CCO2)CC1C)C(=O)[O-]	REAL300013900828	1	60	0.0	-57.38	426.80	5.77	-51.61
CC(C)C(CNC(=O)N1CCN(CC2C[N@H+](C)CCO2)CC1C)C(=O)[O-]	REAL300013900828	1	60	0.0	-70.70	420.32	5.42	-65.28
CC(C)C(CNC(=O)N1CCN(CC2C[N@@H+](C)CCO2)CC1C)C(=O)[O-]	REAL300013900828	1	60	0.0	-72.51	413.74	5.54	-66.97
CC[N@@H+]1CCOC(CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013900830	1	48	0.0	-65.89	359.42	4.28	-61.61
CC[N@H+]1CCOC(CNC(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013900830	1	48	0.0	-68.28	365.39	4.20	-64.08
CC(C)C(CNC(=O)NCC[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300013900836	0	48	0.0	-64.81	357.65	2.52	-62.29
CC(C)C(CNC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)C(=O)[O-]	REAL300013900838	0	57	0.0	-64.37	412.31	8.99	-55.38
CC(C)C(CNC(=O)N1CCC([N@@H+]2CCC(O)C2)CC1)C(=O)[O-]	REAL300013900858	0	52	0.0	-67.56	381.86	4.87	-62.69
CC(C)C(CNC(=O)N1CCC([N@H+]2CCC(O)C2)CC1)C(=O)[O-]	REAL300013900858	1	52	0.0	-67.29	374.18	4.96	-62.33
CC(C)C(CNC(=O)N1CC2CCCC[N@@H+]2CC1C)C(=O)[O-]	REAL300013900879	0	51	0.0	-60.60	361.95	8.44	-52.16
CC(C)C(CNC(=O)N1CC2CCCC[N@H+]2CC1C)C(=O)[O-]	REAL300013900879	1	51	0.0	-61.83	367.27	8.29	-53.54
CC(C)C(CNC(=O)N1CCCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300013900903	0	55	0.0	-60.47	381.55	7.45	-53.02
CC(C)C(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013900906	1	54	0.0	-64.38	393.03	10.16	-54.22
CC(C)C(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C(=O)[O-]	REAL300013900906	1	54	0.0	-65.50	398.30	10.05	-55.45
CC[NH+](CC)CC1CCN(C(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013900907	0	53	0.0	-65.40	377.53	8.20	-57.20
COCC(COC)[NH+]1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013900916	1	55	0.0	-61.63	405.27	6.65	-54.98
CC(C)C(CNC(=O)NCCN(C)CCC[NH+](C)C)C(=O)[O-]	REAL300013900927	0	54	0.0	-68.71	400.00	4.46	-64.25
CC(C)C(CNC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300013900928	1	48	0.0	-65.42	359.18	7.46	-57.96
CC(C)C(CNC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)C(=O)[O-]	REAL300013900928	1	48	0.0	-76.47	365.83	6.92	-69.55
CC(C)C(CNC(=O)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1)C(=O)[O-]	REAL300013900931	1	54	0.0	-70.91	409.73	10.50	-60.41
CC(C)C(CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C(=O)[O-]	REAL300013900964	0	51	0.0	-70.07	381.98	6.46	-63.61
CC(C)C(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C(C)C)C1)C(=O)[O-]	REAL300013900970	0	60	0.0	-63.04	425.35	10.58	-52.46
CC(C)C(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C(C)C)C1)C(=O)[O-]	REAL300013900970	1	60	0.0	-57.16	429.22	11.23	-45.93
CC(C)C(CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C(=O)[O-]	REAL300013900989	0	60	0.0	-70.80	417.16	3.82	-66.98
CC[NH+]1CCC(N2CCCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)CC1	REAL300013900992	0	62	0.0	-66.37	429.52	8.85	-57.52
CCN1CCC([N@@H+]2CCCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)CC1	REAL300013900992	1	62	0.0	-64.11	430.64	8.08	-56.03
CCN1CCC([N@H+]2CCCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)CC1	REAL300013900992	1	62	0.0	-55.61	426.02	8.43	-47.18
CCC[N@H+](C)CC(C)(C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013901005	0	52	0.0	-62.07	369.79	7.53	-54.54
CCC[N@@H+](C)CC(C)(C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013901005	1	52	0.0	-62.03	375.07	7.51	-54.52
CC(C)C(CNC(=O)N1CCCC([NH2+]C2CCOCC2)C1)C(=O)[O-]	REAL300013901016	0	55	0.0	-65.36	391.82	5.98	-59.38
CC(C)C(CNC(=O)NC(C[NH+](C)C)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300013901017	0	53	0.0	-53.18	418.90	9.59	-43.59
CC(C)C(CNC(=O)NCC1CCC[N@H+](CC2CC2)C1)C(=O)[O-]	REAL300013901026	0	54	0.0	-67.75	405.59	8.06	-59.69
CC(C)C(CNC(=O)NCC1CCC[N@@H+](CC2CC2)C1)C(=O)[O-]	REAL300013901026	1	54	0.0	-64.78	397.55	8.18	-56.60
COC(=O)C1CN(C(=O)NCC(C(=O)[O-])C(C)C)CC[N@H+](C)C1	REAL300013901067	0	50	0.0	-66.50	367.13	7.55	-58.95
COC(=O)C1CN(C(=O)NCC(C(=O)[O-])C(C)C)CC[N@@H+](C)C1	REAL300013901067	1	50	0.0	-66.61	369.56	7.53	-59.08
CO[C@H]1C[C@@H](CNC(=O)NCC(C(=O)[O-])C(C)C)[N@H+](CC2=CC=CC=C2)C1	REAL300013901069	0	58	0.0	-62.74	441.14	7.74	-55.00
CO[C@H]1C[C@@H](CNC(=O)NCC(C(=O)[O-])C(C)C)[N@@H+](CC2=CC=CC=C2)C1	REAL300013901069	1	58	0.0	-60.46	435.57	7.28	-53.18
CC(C)C(CNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)C1)C(=O)[O-]	REAL300013901073	0	59	0.0	-68.02	417.91	6.78	-61.24
COCC[N@H+]1[C@H](C)CN(C(=O)NCC(C(=O)[O-])C(C)C)C[C@@H]1C	REAL300013901129	0	54	0.0	-60.59	385.45	6.70	-53.89
COCC[N@@H+]1[C@H](C)CN(C(=O)NCC(C(=O)[O-])C(C)C)C[C@@H]1C	REAL300013901129	1	54	0.0	-58.74	378.67	6.31	-52.43
CC(C)C(CNC(=O)N1CN(CC[NH+](C)C)C(=O)C1C)C(=O)[O-]	REAL300013901183	0	51	0.0	-64.88	388.17	6.92	-57.96
CC(C)C(CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C(=O)[O-]	REAL300013901184	0	57	0.0	-64.03	427.02	5.41	-58.62
CC(C)C(CNC(=O)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300013901187	0	50	0.0	-67.93	395.92	6.80	-61.13
CC(C)C(CNC(=O)N1CC2=CC=C[NH+]=C2N2C[C@H](O)C[C@H]2C1)C(=O)[O-]	REAL300013901201	1	52	0.0	-61.97	388.70	4.45	-57.52
CO[C@@H]1C[C@@H]2CN(C(=O)NCC(C(=O)[O-])C(C)C)CC3=CC=C[NH+]=C3N2C1	REAL300013901202	1	55	0.0	-60.90	403.62	7.02	-53.88
COC1CC2CN(C(=O)NCC(C(=O)[O-])C(C)C)CC3=CC=C[NH+]=C3N2C1	REAL300013901211	1	55	0.0	-59.94	410.62	6.85	-53.09
CC(C)C(CNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1)C(=O)[O-]	REAL300013901223	1	51	0.0	-58.43	372.38	8.04	-50.39
CC(C)C(CNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1)C(=O)[O-]	REAL300013901224	1	51	0.0	-51.40	377.47	7.97	-43.43
CC(C)C(CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C(=O)[O-]	REAL300013901229	0	51	0.0	-69.02	394.38	2.65	-66.37
CC(C)C(CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)C(=O)[O-]	REAL300013901229	1	51	0.0	-72.20	388.54	2.13	-70.07
CC(C)C(CNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013901235	0	54	0.0	-68.53	415.42	8.44	-60.09
CC(C)C(CNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013901235	1	54	0.0	-72.37	414.29	8.40	-63.97
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013901241	0	61	0.0	-67.98	466.01	8.76	-59.22
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013901241	1	61	0.0	-66.55	465.80	8.70	-57.85
CC(C)C(CNC(=O)NC[C@H]1CCC[N@H+](C2CC2)[C@@H]1C1=CN=CN1C)C(=O)[O-]	REAL300013901261	0	61	0.0	-66.85	442.48	8.84	-58.01
CC(C)C(CNC(=O)NC[C@H]1CCC[N@@H+](C2CC2)[C@@H]1C1=CN=CN1C)C(=O)[O-]	REAL300013901261	1	61	0.0	-64.68	442.11	9.50	-55.18
CC(C)C(CNC(=O)N1CCN2N=CC(C[NH+](C)C)=C2C1)C(=O)[O-]	REAL300013901270	0	51	0.0	-60.16	390.81	7.02	-53.14
CC(C)C(CNC(=O)N1CC23C[NH+](C)CC2(C1)CCCC3)C(=O)[O-]	REAL300013901351	0	55	0.0	-57.23	393.30	8.41	-48.82
CC(C)C(CNC(=O)NCC1=CC=C(C[NH+](C)C)S1)C(=O)[O-]	REAL300013901393	0	47	0.0	-68.54	377.97	6.91	-61.63
CC(C)C(CNC(=O)NCC1(N2CC[NH+](C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300013901429	0	65	0.0	-58.23	446.92	6.92	-51.31
CC(C)C(CNC(=O)NCC1([NH+]2CCN(C(C)C)CC2)CCCC1)C(=O)[O-]	REAL300013901429	1	65	0.0	-55.69	453.98	6.91	-48.78
COCC(C)(CNC(=O)NCC(C(=O)[O-])C(C)C)N1CC[NH+](C(C)C)CC1	REAL300013901433	0	65	0.0	-59.82	457.35	6.01	-53.81
CC(C)C(CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)[O-]	REAL300013901446	0	52	0.0	-59.38	374.89	5.39	-53.99
CC(C)C(CNC(=O)NCCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300013901448	0	59	0.0	-72.59	440.96	7.61	-64.98
CC[NH+](CC)CCC(C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013901454	0	52	0.0	-58.96	376.92	6.90	-52.06
CC(C)C(CNC(=O)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21)C(=O)[O-]	REAL300013901486	0	55	0.0	-53.66	401.75	9.76	-43.90
CC(C)C(CNC(=O)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21)C(=O)[O-]	REAL300013901486	1	55	0.0	-50.94	400.79	10.75	-40.19
COC(=O)C1CC([NH+](C)C)CN(C(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013901504	0	53	0.0	-61.73	393.55	7.74	-53.99
CC(C)C(CNC(=O)N1CCC(C)([NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013901510	1	52	0.0	-67.25	379.26	5.81	-61.44
CC(C)C(CNC(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1)C(=O)[O-]	REAL300013901518	0	53	0.0	-56.39	397.14	10.83	-45.56
CCC[NH+](CCC)CCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013901579	0	52	0.0	-63.87	390.33	6.74	-57.13
CC(C)C(CNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1C1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300013901581	1	57	0.0	-69.39	433.20	9.41	-59.98
CC(C)C(CNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1C1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300013901581	1	57	0.0	-68.26	429.22	8.41	-59.85
CC(C)C(CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013901589	0	51	0.0	-67.16	393.39	8.08	-59.08
CC(C)C(CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300013901589	1	51	0.0	-64.93	384.94	7.35	-57.58
CC[N@H+](C)CC1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013901602	0	53	0.0	-70.86	383.62	8.66	-62.20
CC[N@@H+](C)CC1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013901602	1	53	0.0	-71.56	383.73	8.66	-62.90
CC(C)C(CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300013901617	0	60	0.0	-62.67	424.80	9.23	-53.44
CC(C)C(CNC(=O)N[C@H]1C[C@@H](C)[N@H+](CC2=CC=CC=C2)[C@@H](C)C1)C(=O)[O-]	REAL300013901617	1	60	0.0	-67.31	430.74	8.99	-58.32
CC(C)C(CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)[O-]	REAL300013901633	0	51	0.0	-67.39	357.75	6.43	-60.96
CC(C)C(CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)[O-]	REAL300013901633	1	51	0.0	-61.45	361.88	6.36	-55.09
CC(C)C(CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300013901640	1	51	0.0	-64.83	402.62	8.71	-56.12
CC(C)C(CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300013901640	1	51	0.0	-67.29	399.69	7.83	-59.46
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCC(C(=O)[O-])C(C)C)CC[N@@H+]2C2CC2)=C1	REAL300013901648	0	59	0.0	-64.43	447.34	8.14	-56.29
COC1=CC=CC([C@@H]2[C@@H](NC(=O)NCC(C(=O)[O-])C(C)C)CC[N@H+]2C2CC2)=C1	REAL300013901648	1	59	0.0	-58.13	444.29	8.78	-49.35
CC(C)C(CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C(=O)[O-]	REAL300013901682	0	60	0.0	-69.20	430.74	8.83	-60.37
CC(C)C(CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C(=O)[O-]	REAL300013901682	1	60	0.0	-68.49	425.88	8.28	-60.21
CC(C)C(CNC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)C(=O)[O-]	REAL300013901706	0	51	0.0	-95.28	398.73	4.74	-90.54
CC(C)C(CNC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)C(=O)[O-]	REAL300013901706	1	51	0.0	-86.23	393.46	4.84	-81.39
CC(C)C(CNC(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1)C(=O)[O-]	REAL300013901713	1	50	0.0	-58.57	375.80	7.71	-50.86
CC(C)C(CNC(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1)C(=O)[O-]	REAL300013901737	1	50	0.0	-58.57	375.80	7.71	-50.86
CCC[N@@H+]1CCCCC1CNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013901739	0	53	0.0	-61.31	377.15	6.87	-54.44
CCC[N@H+]1CCCCC1CNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013901739	1	53	0.0	-62.79	382.88	6.77	-56.02
CC(C)C(CNC(=O)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1)C(=O)[O-]	REAL300013901756	1	50	0.0	-68.14	396.65	7.14	-61.00
CC(C)C(CNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C)C(=O)[O-]	REAL300013901792	1	52	0.0	-66.37	370.31	6.51	-59.86
CC(C)C(CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300013901828	0	51	0.0	-68.72	399.77	8.14	-60.58
CC(C)C(CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=C(F)C=C1)C(=O)[O-]	REAL300013901828	1	51	0.0	-68.12	389.36	7.38	-60.74
CC(C)C(CNC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)C(=O)[O-]	REAL300013901853	0	52	0.0	-63.59	372.34	8.65	-54.94
CC1=C[NH+]=CC=C1N1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300013901861	0	50	0.0	-66.73	374.84	7.15	-59.58
CCCC1=[NH+]C=CN1CCCNC(=O)NCC(C(=O)[O-])C(C)C	REAL300013901912	1	51	0.0	-63.05	398.92	7.48	-55.57
CC(C)C(CNC(=O)N1CC23CCCC2(C1)C[NH+](CC1=CC=CC=C1)C3)C(=O)[O-]	REAL300013901922	0	62	0.0	-79.37	448.40	11.61	-67.76
CC(C)C(CNC(=O)N1CC23CCCC2(C1)C[NH+](C)C3)C(=O)[O-]	REAL300013901932	0	52	0.0	-75.81	368.24	7.98	-67.83
CC(C)C(CNC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)C(=O)[O-]	REAL300013901938	0	51	0.0	-57.15	392.21	8.42	-48.73
CC(C)C(CNC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)C(=O)[O-]	REAL300013902010	0	48	0.0	-70.70	358.67	4.09	-66.61
CC(C)C(CNC(=O)NCC(C1=CC=C(F)C=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300013902011	0	59	0.0	-67.59	444.30	7.46	-60.13
CC(C)C(CNC(=O)NCCCCCC[NH+](C)C)C(=O)[O-]	REAL300013902012	0	52	0.0	-68.25	391.08	7.18	-61.07
CC(C)C(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300013902016	0	61	0.0	-57.00	438.99	9.92	-47.08
CC(C)C(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1)C(=O)[O-]	REAL300013902016	1	61	0.0	-62.21	448.26	9.92	-52.29
CC(C)C(CNC(=O)NCCCN1C=[NH+]C2=C1CCCC2)C(=O)[O-]	REAL300013902049	1	52	0.0	-61.36	397.12	8.85	-52.51
CC(C)C(CNC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013902069	0	54	0.0	-60.85	389.49	7.78	-53.07
CC(C)C(CNC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013902069	1	54	0.0	-61.52	385.49	8.34	-53.18
CC(C)C(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300013902076	0	58	0.0	-57.38	427.29	9.58	-47.80
CC(C)C(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C(=O)[O-]	REAL300013902076	1	58	0.0	-57.79	428.70	9.57	-48.22
CCC1=[NH+]C=CN1CC(C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013902097	1	48	0.0	-60.21	380.36	6.93	-53.28
CC(C)C(CNC(=O)N1CC(C)C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013902100	0	60	0.0	-65.20	425.25	11.73	-53.47
CC(C)C(CNC(=O)N1CC(C)C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013902100	1	60	0.0	-57.38	428.83	11.86	-45.52
CC(C)C(CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1)C(=O)[O-]	REAL300013902111	0	61	0.0	-67.52	440.92	11.76	-55.76
CC(C)C(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1)C(=O)[O-]	REAL300013902111	1	61	0.0	-64.01	446.41	11.67	-52.34
CC[N@@H+]1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC12CCOC2	REAL300013902186	1	52	0.0	-65.33	362.56	6.27	-59.06
CC[N@H+]1CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC12CCOC2	REAL300013902186	1	52	0.0	-61.37	362.09	6.06	-55.31
CC(C)C(CNC(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1)C(=O)[O-]	REAL300013902220	0	49	0.0	-63.11	364.72	4.57	-58.54
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013902228	0	63	0.0	-65.98	471.88	9.83	-56.15
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013902228	1	63	0.0	-73.15	475.00	9.07	-64.08
CC(C)C(CNC(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300013902234	0	57	0.0	-65.12	413.76	11.85	-53.27
CC(C)C(CNC(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1)C(=O)[O-]	REAL300013902279	0	50	0.0	-66.20	374.28	6.25	-59.95
CC(C)C(CNC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300013902286	0	53	0.0	-60.44	377.57	7.06	-53.38
CC(C)C(CNC(=O)NC1CCC[N@H+](C(C)(C)C)C1)C(=O)[O-]	REAL300013902286	1	53	0.0	-62.60	381.58	6.54	-56.06
CC(C)C(CNC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013902323	1	49	0.0	-58.30	380.60	6.61	-51.69
CC(C)C(CNC(=O)NC1C[N@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300013902324	0	51	0.0	-60.22	371.37	6.55	-53.67
CC(C)C(CNC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)C(=O)[O-]	REAL300013902324	1	51	0.0	-58.05	372.24	6.59	-51.46
CC(C)C(CNC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300013902369	0	52	0.0	-55.20	371.16	4.69	-50.51
CC(C)C(CNC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)C(=O)[O-]	REAL300013902369	1	52	0.0	-63.13	377.39	4.44	-58.69
CC(C)C(CNC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1)C(=O)[O-]	REAL300013902386	1	55	0.0	-51.76	379.45	7.36	-44.40
CC1=CC=C(C[NH+]2CCN(C(=O)NCC(C(=O)[O-])C(C)C)CC2)C=C1	REAL300013902390	1	54	0.0	-63.59	402.15	10.24	-53.35
CC(C)C(CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)C(=O)[O-]	REAL300013902400	0	51	0.0	-64.26	365.76	4.71	-59.55
CC(C)C(CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)C(=O)[O-]	REAL300013902400	1	51	0.0	-59.84	368.77	4.32	-55.52
CC(C)C(CNC(=O)N1CCC([N@H+](C)C(C)C)CC1)C(=O)[O-]	REAL300013902411	0	53	0.0	-63.89	368.79	8.09	-55.80
CC(C)C(CNC(=O)N1CCC([N@@H+](C)C(C)C)CC1)C(=O)[O-]	REAL300013902411	1	53	0.0	-67.30	374.45	7.98	-59.32
CC(C)C(CNC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013902417	0	57	0.0	-61.40	401.46	8.48	-52.92
CC(C)C(CNC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C(=O)[O-]	REAL300013902417	1	57	0.0	-63.42	408.05	8.52	-54.90
CC(C)C(CNC(=O)N1CCOC(CC[NH+](C)C)C1)C(=O)[O-]	REAL300013902428	0	51	0.0	-66.61	376.50	6.59	-60.02
CC(C)C(CNC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013902452	1	52	0.0	-60.28	401.66	7.13	-53.15
CC(C)C(CNC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)C(=O)[O-]	REAL300013902455	1	55	0.0	-56.33	409.14	7.73	-48.60
CC(C)C(CNC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013902471	1	46	0.0	-55.55	353.33	6.75	-48.80
CCCC1=[NH+]C=CN1C1CCCN(C(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300013902535	1	55	0.0	-59.61	410.70	10.07	-49.54
CC(C)C(CNC(=O)NCC1CCCC2=[NH+]C=CN21)C(=O)[O-]	REAL300013902583	1	46	0.0	-55.55	353.33	6.75	-48.80
CC(C)C(CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013902633	0	57	0.0	-62.35	427.11	8.77	-53.58
CC(C)C(CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)C(=O)[O-]	REAL300013902633	1	57	0.0	-60.66	427.15	8.77	-51.89
CC(C)C(CNC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300013902659	0	53	0.0	-70.71	407.20	8.43	-62.28
CC(C)C(CNC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013902665	0	57	0.0	-63.60	415.36	9.33	-54.27
CC(C)C(CNC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300013902665	1	57	0.0	-61.90	416.91	9.38	-52.52
CCC[N@H+](CCNC(=O)NCC(C(=O)[O-])C(C)C)C(C)C	REAL300013902695	0	52	0.0	-60.38	372.30	6.16	-54.22
CCC[N@@H+](CCNC(=O)NCC(C(=O)[O-])C(C)C)C(C)C	REAL300013902695	1	52	0.0	-59.34	372.78	6.27	-53.07
CC(C)C(CNC(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013902739	0	58	0.0	-67.76	412.71	8.11	-59.65
CC(C)C(CNC(=O)N1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)[O-]	REAL300013902739	1	58	0.0	-66.11	406.92	8.11	-58.00
CC1=[NH+]C=CN1CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902753	1	52	0.0	-73.19	397.27	7.64	-65.55
CC(NC(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902756	0	58	0.0	-75.65	422.78	8.77	-66.88
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C[NH+]1CCCC1	REAL300013902759	0	57	0.0	-77.75	414.08	8.47	-69.28
CC(NC(=O)N1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902762	0	55	0.0	-82.31	400.24	9.60	-72.71
CC(NC(=O)N(CC[NH+](C)C)CC1=CC=CC=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902763	0	60	0.0	-90.80	448.58	12.07	-78.73
CCCC[N@H+](C)CC1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013902769	0	66	0.0	-79.96	466.04	11.81	-68.15
CCCC[N@@H+](C)CC1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013902769	1	66	0.0	-85.62	467.19	11.78	-73.84
CC(NC(=O)N(CC[NH+](C)C)CC1=CC=C(F)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902772	0	60	0.0	-89.48	451.18	12.05	-77.43
CC1=CC=C(CN(CC[NH+](C)C)C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)O1	REAL300013902773	0	60	0.0	-93.95	454.72	11.20	-82.75
CC(C)[N@H+](C)CC1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013902775	0	63	0.0	-82.91	438.67	10.62	-72.29
CC(C)[N@@H+](C)CC1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013902775	1	63	0.0	-79.57	440.93	10.76	-68.81
CC[NH+](CC)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CC=CO1	REAL300013902780	0	60	0.0	-71.64	434.92	8.55	-63.09
CC(NC(=O)NCC[N@H+](C)CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902783	0	57	0.0	-81.07	428.61	9.35	-71.72
CC(NC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902783	1	57	0.0	-80.57	425.34	8.89	-71.68
CC(NC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902785	1	55	0.0	-82.52	422.66	8.60	-73.92
CC(NC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902785	1	55	0.0	-82.46	422.69	8.60	-73.86
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902800	0	60	0.0	-78.43	426.77	9.22	-69.21
CC(C[N@H+]1CCCC(C)C1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902800	1	60	0.0	-78.31	426.78	9.19	-69.12
CC(NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902802	0	66	0.0	-72.86	456.08	9.47	-63.39
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902803	0	63	0.0	-75.98	451.44	9.59	-66.39
CC(NC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902804	0	63	0.0	-72.96	439.23	9.05	-63.91
CC(NC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902804	1	63	0.0	-74.03	438.96	9.05	-64.98
CC(NC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902805	0	61	0.0	-77.08	451.85	10.70	-66.38
CC(NC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902805	1	61	0.0	-77.00	451.29	10.57	-66.43
CC(NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902822	0	64	0.0	-85.48	470.87	7.99	-77.49
CC1=[NH+]C=CN1CC(C)CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902823	1	55	0.0	-74.05	416.55	8.77	-65.28
CC(NC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902830	0	68	0.0	-75.16	472.33	7.90	-67.26
CC(NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902844	0	67	0.0	-84.20	462.35	12.72	-71.48
CC(NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902844	1	67	0.0	-77.99	460.59	12.94	-65.05
CC(NC(=O)N1CC[NH+](C(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902847	0	57	0.0	-76.36	396.91	8.82	-67.54
CC(NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902851	0	63	0.0	-81.27	443.95	10.47	-70.80
CC(NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902856	0	60	0.0	-84.82	428.09	10.17	-74.65
CCC[N@@H+]1CCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013902868	0	57	0.0	-77.81	419.97	8.41	-69.40
CCC[N@H+]1CCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013902868	1	57	0.0	-77.50	415.69	7.85	-69.65
CC(NC(=O)NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902876	0	67	0.0	-78.27	470.03	10.53	-67.74
CC(NC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902886	0	61	0.0	-67.91	457.77	8.74	-59.17
CC(NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902889	1	61	0.0	-81.87	448.58	7.38	-74.49
CC(NC(=O)N1CC[N@@H+]2CCCC2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902895	0	52	0.0	-77.22	373.34	8.50	-68.72
CC(NC(=O)N1CC[N@H+]2CCCC2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902895	1	52	0.0	-79.17	373.09	8.54	-70.63
CCOCC[NH+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013902896	1	58	0.0	-78.44	421.08	8.17	-70.27
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300013902903	0	60	0.0	-78.11	436.27	9.51	-68.60
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300013902903	1	60	0.0	-78.83	437.42	9.83	-69.00
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013902907	0	66	0.0	-72.27	448.58	9.67	-62.60
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013902907	1	66	0.0	-74.17	450.37	9.68	-64.49
CC[N@@H+]1CCCCC1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902908	0	57	0.0	-74.68	400.80	7.74	-66.94
CC[N@H+]1CCCCC1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902908	1	57	0.0	-71.27	403.11	8.24	-63.03
CC(NC(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902917	0	63	0.0	-78.23	454.82	9.52	-68.71
CC(NC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902923	0	57	0.0	-83.28	426.31	8.97	-74.31
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCCCC1	REAL300013902933	0	57	0.0	-73.93	401.87	7.82	-66.11
CC(NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902938	0	60	0.0	-73.50	422.64	8.49	-65.01
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C[NH+]1CCCCC1	REAL300013902939	0	60	0.0	-77.49	430.64	9.24	-68.25
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCC(C)CC1	REAL300013902954	0	60	0.0	-74.50	422.49	8.78	-65.72
CC(NC(=O)NCC1C[N@H+](C)CCN1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902973	0	56	0.0	-81.57	395.98	4.74	-76.83
CC(NC(=O)NCC1C[N@@H+](C)CCN1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902973	1	56	0.0	-76.32	397.06	4.83	-71.49
CC(C)[NH2+]C1CCCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013902975	0	57	0.0	-73.12	405.56	7.94	-65.18
CC(NC(=O)N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902978	1	61	0.0	-79.94	441.92	11.84	-68.10
CC(NC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902978	1	61	0.0	-76.13	438.36	11.53	-64.60
CC(NC(=O)NCC1([NH+](C)C)CCCC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902993	0	63	0.0	-75.76	431.95	9.14	-66.62
CC(NC(=O)NC1CCC[N@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902994	0	51	0.0	-80.11	367.73	7.07	-73.04
CC(NC(=O)NC1CCC[N@@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013902994	1	51	0.0	-79.75	375.61	7.05	-72.70
CC(NC(=O)N1CC[NH+](CCC2=CC=CS2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903013	1	58	0.0	-85.09	439.26	10.97	-74.12
CCCC[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013903021	0	60	0.0	-77.53	436.48	9.27	-68.26
CC(NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903026	0	66	0.0	-76.82	468.13	7.57	-69.25
CC(NC(=O)NCC[N@H+](C)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903056	0	51	0.0	-75.39	381.30	7.19	-68.20
CC(NC(=O)NCC[N@@H+](C)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903056	1	51	0.0	-74.88	381.17	7.19	-67.69
CCCC[N@H+](C)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903061	0	56	0.0	-77.99	412.63	7.97	-70.02
CCCC[N@@H+](C)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903061	1	56	0.0	-78.16	412.63	7.96	-70.20
CC(NC(=O)NCC[NH+]1CCSCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903062	1	52	0.0	-80.98	389.22	6.94	-74.04
CC(NC(=O)N(C)CC[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903074	0	54	0.0	-69.70	395.27	9.35	-60.35
CC[NH+]1CCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013903122	0	57	0.0	-79.52	409.32	7.91	-71.61
CC(NC(=O)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903129	0	62	0.0	-83.66	445.54	12.01	-71.65
CC([NH2+]C(C)(C)CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300013903140	0	63	0.0	-75.02	449.15	8.57	-66.45
CCC1CCCC[N@@H+]1CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903143	0	60	0.0	-71.61	427.30	8.54	-63.07
CCC1CCCC[N@H+]1CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903143	1	60	0.0	-74.52	428.79	8.78	-65.74
CC(NC(=O)N1CC[NH+](C2CCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903146	0	55	0.0	-79.58	395.98	9.41	-70.17
CC[N@H+](CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC1	REAL300013903160	0	54	0.0	-73.91	400.34	7.81	-66.10
CC[N@@H+](CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC1	REAL300013903160	1	54	0.0	-74.49	400.02	7.94	-66.55
CC[N@H+](CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C	REAL300013903172	0	56	0.0	-73.78	400.37	7.48	-66.30
CC[N@@H+](CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C	REAL300013903172	1	56	0.0	-74.37	399.66	7.32	-67.05
CC1=CC=C(C(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)[NH+]2CCCC2)O1	REAL300013903183	0	61	0.0	-76.83	446.70	9.11	-67.72
COCCC[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013903198	0	61	0.0	-79.88	448.66	7.56	-72.32
COCC[N@H+](C)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903200	0	54	0.0	-76.79	402.19	5.61	-71.18
COCC[N@@H+](C)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903200	1	54	0.0	-76.67	399.02	5.15	-71.52
CCC[NH+]1CCC(N(C)C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013903205	0	60	0.0	-77.01	427.49	10.53	-66.48
CCC(C)[N@H+](C)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903207	0	56	0.0	-75.47	400.96	7.09	-68.38
CCC(C)[N@@H+](C)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903207	1	56	0.0	-75.20	400.80	7.56	-67.64
CC(NC(=O)N1CCC([NH+]2CCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903208	0	55	0.0	-77.13	401.21	9.00	-68.13
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903221	0	63	0.0	-73.99	463.67	12.50	-61.49
CC(NC(=O)N1CCCC1C[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903230	0	58	0.0	-65.92	406.83	9.45	-56.47
CC(C)[N@@H+]1CCCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013903244	0	57	0.0	-76.81	397.49	9.93	-66.88
CC(C)[N@H+]1CCCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013903244	1	57	0.0	-79.98	397.57	10.09	-69.89
CCC[NH+](CCC)CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903251	0	62	0.0	-78.54	448.66	8.94	-69.60
CC(NC(=O)N1CCC([NH+](C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903264	0	51	0.0	-78.88	370.96	7.61	-71.27
CC(NC(=O)N1CCCC(C[NH+]2CCC(C)CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903281	0	67	0.0	-76.89	469.01	12.37	-64.52
CC(NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903320	0	62	0.0	-82.95	443.73	9.02	-73.93
CC(NC(=O)NCCC1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903329	0	57	0.0	-77.13	411.94	7.81	-69.32
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013903347	0	61	0.0	-79.12	441.85	10.11	-69.01
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300013903347	1	61	0.0	-79.69	441.62	10.11	-69.58
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+]1CCC2=C(C=CS2)C1	REAL300013903348	1	58	0.0	-80.65	433.42	9.14	-71.51
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@H+]1CCC2=C(C=CS2)C1	REAL300013903348	1	58	0.0	-79.82	433.28	9.24	-70.58
CC(NC(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903365	0	64	0.0	-81.49	448.19	11.44	-70.05
CC(NC(=O)N(CC[NH+](C)C)CC1=CC=CC(F)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903367	0	60	0.0	-84.65	451.16	12.04	-72.61
CC[NH+](CC)CC(=O)N1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013903379	0	64	0.0	-79.80	452.80	9.16	-70.64
CC(NC(=O)N(C)CC1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903381	0	57	0.0	-66.05	408.82	9.70	-56.35
CC(NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903420	0	60	0.0	-77.75	412.40	10.09	-67.66
CC(NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903420	1	60	0.0	-77.97	413.19	10.45	-67.52
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300013903431	0	60	0.0	-81.41	449.91	10.04	-71.37
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300013903431	1	60	0.0	-77.10	449.92	10.05	-67.05
CC(NC(=O)N1CCC[N@@H+](C2CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903435	0	55	0.0	-78.77	391.35	10.05	-68.72
CC(NC(=O)N1CCC[N@H+](C2CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903435	1	55	0.0	-75.15	390.19	9.97	-65.18
COC1=CC=[NH+]C(N2CCN(C(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CC2)=C1	REAL300013903437	0	58	0.0	-69.72	424.99	7.50	-62.22
CC(NC(=O)NCC1C[N@@H+]2CCCC2CO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903442	0	56	0.0	-76.77	411.56	6.25	-70.52
CC(NC(=O)NCC1C[N@H+]2CCCC2CO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903442	1	56	0.0	-77.62	411.38	6.29	-71.33
CC(NC(=O)N1CCCC([NH+](C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903443	0	54	0.0	-73.30	384.56	8.60	-64.70
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@H+](C)C1CC1	REAL300013903444	0	54	0.0	-73.83	393.29	7.30	-66.53
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+](C)C1CC1	REAL300013903444	1	54	0.0	-75.47	385.97	7.81	-67.66
CC(NC(=O)N1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903446	1	52	0.0	-78.99	379.34	8.86	-70.13
CC(NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903447	0	65	0.0	-72.52	462.73	8.72	-63.80
CC(NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903447	1	65	0.0	-71.22	461.67	8.65	-62.57
CC(NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903447	1	65	0.0	-81.70	462.24	8.76	-72.94
CC(NC(=O)N1CCCC1C[NH+]1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903448	0	61	0.0	-68.88	426.29	10.22	-58.66
CC(NC(=O)N1CCCC1C[NH+]1CC(C)OC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903450	1	65	0.0	-69.34	463.18	9.58	-59.76
CC(C)[N@@H+]1CCCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013903451	0	60	0.0	-72.29	422.78	8.56	-63.73
CC(C)[N@H+]1CCCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013903451	1	60	0.0	-74.22	426.65	8.52	-65.70
CC(NC(=O)N1CC[N@@H+]2CCCCC2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903452	0	55	0.0	-77.13	390.52	9.23	-67.90
CC(NC(=O)N1CC[N@H+]2CCCCC2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903452	1	55	0.0	-80.02	391.17	9.08	-70.94
CC(NC(=O)N(C)CC1=CC=C(C[NH+](C)C)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903454	0	60	0.0	-74.16	448.94	11.78	-62.38
CC[NH+](CC)CCN(CCOC)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903459	0	63	0.0	-72.51	451.79	8.99	-63.52
COCCN(CC[NH+](C)C)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903460	0	57	0.0	-77.78	419.50	7.87	-69.91
CC(NC(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903467	0	57	0.0	-76.62	411.97	8.35	-68.27
CC(NC(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903467	1	57	0.0	-75.99	411.99	8.33	-67.66
CC(NC(=O)NC1CC[N@@H+]2CCCCC12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903475	0	55	0.0	-75.82	397.89	8.16	-67.66
CC(NC(=O)NC1CC[N@H+]2CCCCC12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903475	1	55	0.0	-73.29	392.00	8.08	-65.21
CC(NC(=O)N1CCCC([NH+]2CCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903485	0	58	0.0	-72.28	407.43	9.63	-62.65
CC1=[NH+]C=CN1CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903503	1	49	0.0	-72.63	379.04	7.34	-65.29
CC(NC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903526	0	62	0.0	-74.47	426.19	6.87	-67.60
C=C(C)C[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013903540	0	58	0.0	-76.26	427.55	8.94	-67.32
C=CC[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013903545	0	55	0.0	-76.94	408.03	8.35	-68.59
CC[NH+]1CCN(C2CCN(C(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C2)CC1	REAL300013903593	0	63	0.0	-77.78	448.25	7.91	-69.87
CC(CN1CC[NH+](C)CC1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903598	0	59	0.0	-70.82	430.85	6.30	-64.52
CC(C[NH+]1CCN(C)CC1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903598	1	59	0.0	-75.71	429.53	6.37	-69.34
CC(NC(=O)N(CC[NH+](C)C)CC1=CC=CC=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903605	0	59	0.0	-79.60	444.71	10.29	-69.31
CC(NC(=O)NCC[NH+]1C(C)CCCC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903616	0	60	0.0	-73.23	420.81	7.88	-65.35
CC(NC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903627	0	60	0.0	-84.03	443.33	8.38	-75.65
CC[NH+](CC)C1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013903632	0	60	0.0	-79.99	415.51	9.65	-70.34
CC1=CC=C(C(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)[NH+](C)C)C=C1	REAL300013903672	0	60	0.0	-80.05	438.85	10.55	-69.50
COCC[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013903686	0	58	0.0	-75.01	426.07	6.93	-68.08
CC(NC(=O)N1CCCC([NH+]2CCCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903694	0	61	0.0	-72.19	426.16	10.47	-61.72
COC1CC[NH+](C(C)(C)CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013903695	0	64	0.0	-74.95	451.59	7.85	-67.10
CC(NC(=O)N1CCC([NH+]2CCCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903698	0	58	0.0	-77.37	416.12	9.64	-67.73
COCC[NH+]1CCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013903701	0	61	0.0	-79.76	441.83	7.10	-72.66
CC(NC(=O)NC1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903706	0	55	0.0	-78.94	409.21	8.66	-70.28
CC(NC(=O)NC1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903706	1	55	0.0	-77.28	403.81	8.09	-69.19
CCCC[N@@H+]1CCCCC1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903711	0	63	0.0	-75.78	448.65	9.78	-66.00
CCCC[N@H+]1CCCCC1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903711	1	63	0.0	-76.55	444.27	9.09	-67.46
CC(NC(=O)NC1CC[NH+](CC2CCOC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903765	0	62	0.0	-81.44	444.72	7.33	-74.11
CC(NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903771	0	62	0.0	-83.57	438.62	9.01	-74.56
CC(NC(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903779	0	62	0.0	-79.13	453.01	6.65	-72.48
CC(NC(=O)NCCCCN1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903779	1	62	0.0	-78.23	450.18	6.30	-71.93
CC(NC(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903787	1	61	0.0	-82.49	437.06	11.37	-71.12
CC(NC(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903787	1	61	0.0	-77.85	440.45	11.64	-66.21
CC[NH+](CC)CC(C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903800	0	56	0.0	-72.14	403.45	8.77	-63.37
CC[N@@H+]1CCC2CCC(C1)N2C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903818	0	58	0.0	-74.01	399.45	9.96	-64.05
CC[N@H+]1CCC2CCC(C1)N2C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903818	1	58	0.0	-63.99	400.26	10.03	-53.96
CC(NC(=O)N(CC[NH+](C)C)CC1=CC=CS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903833	0	57	0.0	-73.40	441.11	11.37	-62.03
CC(NC(=O)N1CCCC12CC[NH+](C)CC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903866	0	58	0.0	-54.94	395.30	9.05	-45.89
CC(NC(=O)N1CC[N@H+](CC(C)(C)O)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903878	0	61	0.0	-76.76	425.41	7.08	-69.68
CC(NC(=O)N1CC[N@@H+](CC(C)(C)O)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903878	1	61	0.0	-81.59	426.30	7.31	-74.28
CC(NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903897	0	62	0.0	-75.75	439.27	9.31	-66.44
CC(NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903919	0	52	0.0	-77.14	373.39	8.12	-69.02
CC(NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903919	1	52	0.0	-79.68	373.60	8.29	-71.39
CC(NC(=O)NC(C)(C)CCC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903926	0	59	0.0	-81.13	421.41	8.28	-72.85
CC(NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903932	0	58	0.0	-74.99	402.45	5.34	-69.65
CC(NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903932	1	58	0.0	-77.61	402.95	5.82	-71.79
CC(NC(=O)NC1CC2CCC(C1)[NH+]2C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903954	0	55	0.0	-79.61	377.53	8.59	-71.02
CCC1C[N@H+](CC)CCN1C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903956	0	57	0.0	-76.96	397.42	9.09	-67.87
CCC1C[N@@H+](CC)CCN1C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903956	1	57	0.0	-80.70	396.53	9.05	-71.65
CC(NC(=O)N(CC[NH+](C)C)CC1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903957	0	66	0.0	-84.55	463.38	11.90	-72.65
CC(NC(=O)NCCCCCCC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903958	0	62	0.0	-79.25	456.18	9.22	-70.03
CC(NC(=O)NC(C)C1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903959	0	57	0.0	-77.92	412.58	8.52	-69.40
COCC[N@@H+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013903960	0	55	0.0	-78.45	407.50	6.51	-71.94
COCC[N@H+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013903960	1	55	0.0	-77.93	409.23	6.18	-71.75
CC(NC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903971	0	62	0.0	-78.72	430.09	9.57	-69.15
CC(NC(=O)N1CCC[N@H+](C2CCOCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903971	1	62	0.0	-85.32	428.94	9.10	-76.22
CC(NC(=O)N1CCCC([NH+]2CCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903975	0	61	0.0	-80.85	422.23	10.54	-70.31
CC(NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903980	0	61	0.0	-78.24	423.20	11.20	-67.04
CC(NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903980	1	61	0.0	-79.79	424.55	11.55	-68.24
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C[NH+]1CCOCC1	REAL300013903986	1	58	0.0	-80.48	421.88	6.84	-73.64
CC(NC(=O)NC1CC(C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903997	0	55	0.0	-72.98	400.24	7.61	-65.37
CC(NC(=O)NC1CC(C)[N@H+](C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013903997	1	55	0.0	-74.12	403.26	7.85	-66.27
CC(NC(=O)N(C)C1CC[N@H+](C)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904002	0	57	0.0	-80.10	397.14	9.12	-70.98
CC(NC(=O)N(C)C1CC[N@@H+](C)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904002	1	57	0.0	-76.64	385.36	8.58	-68.06
CC(NC(=O)NC(C)C(C)(C)C[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904003	0	59	0.0	-80.01	412.73	8.61	-71.40
CC(NC(=O)N1CC[N@H+](CC(C)(C)O)C(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904065	0	61	0.0	-73.02	429.98	7.00	-66.02
CC(NC(=O)N1CC[N@@H+](CC(C)(C)O)C(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904065	1	61	0.0	-80.56	422.11	6.89	-73.67
CC(NC(=O)NCC1([NH+](C)C)CCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904072	0	54	0.0	-77.69	386.51	7.27	-70.42
CC(NC(=O)NCC[N@@H+]1CCCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904081	0	55	0.0	-78.63	395.30	5.52	-73.11
CC(NC(=O)NCC[N@H+]1CCCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904081	1	55	0.0	-79.42	392.12	5.33	-74.09
CC(NC(=O)N(C)CC1([NH+](C)C)CCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904085	0	57	0.0	-73.41	390.70	8.85	-64.56
CC1=[NH+]C=CN1CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904099	1	52	0.0	-73.19	397.27	7.64	-65.55
CC(NC(=O)NC(C[NH+](C)C)C1=CC=C(Cl)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904111	0	57	0.0	-72.98	443.11	10.18	-62.80
CC(NC(=O)N1CC[NH+]2CCC1CC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904112	0	52	0.0	-81.95	364.68	8.83	-73.12
CC(NC(=O)N1CC[NH+](C[C@H](C)O)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904113	1	55	0.0	-79.28	399.03	5.65	-73.63
CC(NC(=O)N1CC[NH+](C[C@@H](C)O)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904114	1	55	0.0	-77.77	399.04	5.66	-72.11
CC(O)C[N@@H+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)C1	REAL300013904116	0	58	0.0	-75.20	412.27	6.25	-68.95
CC(O)C[N@H+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)C1	REAL300013904116	1	58	0.0	-81.02	415.09	6.74	-74.28
CC(NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904117	0	58	0.0	-74.00	405.23	5.92	-68.08
CC(NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904117	1	58	0.0	-76.57	403.79	6.13	-70.44
CCC(C)[NH+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013904150	0	57	0.0	-78.04	401.03	9.20	-68.84
CC(NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904153	0	65	0.0	-82.98	459.89	9.69	-73.29
CC(NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904166	0	69	0.0	-74.80	451.93	10.71	-64.09
CC(C)C1C[N@H+](C)CCN1C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904177	0	57	0.0	-77.83	392.03	8.59	-69.24
CC(C)C1C[N@@H+](C)CCN1C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904177	1	57	0.0	-81.96	393.95	8.72	-73.24
CC(NC(=O)N1CCC[N@@H+]2CCCC2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904197	0	55	0.0	-72.71	374.84	9.52	-63.19
CC(NC(=O)N1CCC[N@H+]2CCCC2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904197	1	55	0.0	-75.69	379.84	9.95	-65.74
CC(NC(=O)NCCC[N@@H+]1CCCC1C(=O)N(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904198	0	64	0.0	-79.47	472.08	7.78	-71.69
CC(NC(=O)NCCC[N@H+]1CCCC1C(=O)N(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904198	1	64	0.0	-82.04	470.19	7.75	-74.29
CC(NC(=O)N1CCC([N@H+](C)CCCO)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904199	0	61	0.0	-85.14	434.81	6.69	-78.45
CC(NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904199	1	61	0.0	-83.06	434.81	6.69	-76.37
CC(NC(=O)NCC1(O)CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904209	0	55	0.0	-81.79	397.99	4.32	-77.47
CC(NC(=O)N(CC[NH+](C)C)CC1=CC=CO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904228	0	57	0.0	-93.39	432.81	10.38	-83.01
CC(NC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904247	0	60	0.0	-79.52	442.90	7.52	-72.00
COC(=O)CC[N@@H+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)C1	REAL300013904278	1	60	0.0	-85.94	437.09	9.48	-76.46
COC(=O)CC[N@H+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)C1	REAL300013904278	1	60	0.0	-88.03	439.51	9.97	-78.06
CC(NC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904303	0	60	0.0	-83.17	451.49	9.78	-73.39
CC(NC(=O)N1CC[N@H+](C)C(CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904341	1	61	0.0	-81.42	435.68	11.23	-70.19
CC(NC(=O)N1CC[N@@H+](C)C(CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904341	1	61	0.0	-83.14	442.23	11.42	-71.72
COC1=CC=C(C(C[NH+](C)C)NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300013904345	0	61	0.0	-72.30	455.86	8.96	-63.34
CC[NH+]1CCN(CC(C)(C)NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013904364	0	65	0.0	-80.75	452.09	8.43	-72.32
CCN1CC[NH+](CC(C)(C)NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013904364	1	65	0.0	-79.67	451.01	7.90	-71.77
CC(NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904382	0	57	0.0	-79.23	401.68	8.94	-70.29
CC(C)[N@@H+]1CCC(N(C)C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013904387	0	57	0.0	-74.56	407.85	9.57	-64.99
CC(C)[N@H+]1CCC(N(C)C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013904387	1	57	0.0	-74.29	402.48	8.96	-65.33
CC(NC(=O)N(CC[NH+](C)C)CC1CCCO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904422	0	61	0.0	-84.10	442.68	9.09	-75.01
CC(C)C[N@@H+]1CCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013904443	0	60	0.0	-77.60	433.78	8.57	-69.03
CC(C)C[N@H+]1CCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013904443	1	60	0.0	-77.96	435.85	8.95	-69.01
CC(NC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904459	0	61	0.0	-78.84	448.36	9.85	-68.99
CC(NC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904459	1	61	0.0	-78.70	455.42	10.31	-68.39
CC(NC(=O)NC1C[N@@H+](C2CC2)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904464	0	55	0.0	-68.21	401.35	8.21	-60.00
CC(NC(=O)NC1C[N@H+](C2CC2)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904464	1	55	0.0	-74.55	401.11	8.24	-66.31
CC(NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904468	0	60	0.0	-72.97	414.21	10.95	-62.02
CCC(C[NH+]1CCCC1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904469	0	57	0.0	-73.69	403.81	8.53	-65.16
CC(NC(=O)NCC1=CC[N@H+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904485	0	52	0.0	-80.84	384.90	7.07	-73.77
CC(NC(=O)NCC1=CC[N@@H+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904485	1	52	0.0	-81.77	385.46	7.07	-74.70
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904490	0	60	0.0	-81.14	447.29	10.59	-70.55
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904490	1	60	0.0	-81.26	445.37	10.20	-71.06
CCN(CCC[NH+](C)C)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904502	0	56	0.0	-76.23	409.14	9.46	-66.77
CCCN(CCC[NH+](C)C)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904509	0	59	0.0	-71.07	434.34	10.69	-60.38
CC(NC(=O)NCCOCC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904510	0	54	0.0	-74.15	403.07	5.54	-68.61
CCN(CCC[NH+](CC)CC)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904515	0	62	0.0	-75.07	442.68	10.99	-64.08
CCN(CCC[NH+]1CCCC1)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904516	0	60	0.0	-70.12	437.77	11.04	-59.08
CO[C@H]1C[C@@H](CN(C)C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)[N@H+](C)C1	REAL300013904535	0	58	0.0	-58.70	420.15	7.99	-50.71
CO[C@H]1C[C@@H](CN(C)C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)[N@@H+](C)C1	REAL300013904535	1	58	0.0	-79.43	417.52	7.41	-72.02
CC(NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C1=CC=CC=C1)[NH+](C)C	REAL300013904539	0	60	0.0	-74.13	436.60	10.83	-63.30
CC1=CC=CC=C1C(C(C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+](C)C	REAL300013904540	0	63	0.0	-70.34	447.44	10.77	-59.57
CC(NC(=O)NCCCC[N@H+](C)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904553	0	57	0.0	-76.83	421.08	8.28	-68.55
CC(NC(=O)NCCCC[N@@H+](C)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904553	1	57	0.0	-76.53	420.46	8.27	-68.26
CC(NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904587	1	63	0.0	-79.59	435.15	5.56	-74.03
CC(NC(=O)N(C)C1CC[N@H+](C)C(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904596	0	57	0.0	-76.19	402.18	9.22	-66.97
CC(NC(=O)N(C)C1CC[N@@H+](C)C(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904596	1	57	0.0	-77.40	397.82	8.87	-68.53
CC1=[NH+]C=CN1CCCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904603	1	55	0.0	-74.85	418.79	8.41	-66.44
CC(NC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904605	0	61	0.0	-74.09	439.19	10.48	-63.61
CC(NC(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904645	0	58	0.0	-79.40	412.60	6.70	-72.70
CC(NC(=O)NC1CC[NH+](C2CCCCC2O)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904683	0	65	0.0	-73.79	454.14	6.10	-67.69
CCC(C)[NH2+]C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CC=CO1	REAL300013904743	0	60	0.0	-76.68	439.49	7.40	-69.28
CC(NC(=O)NCCC1CCC[N@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904777	0	57	0.0	-80.63	407.87	7.51	-73.12
CC(NC(=O)NCCC1CCC[N@@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904777	1	57	0.0	-80.10	407.86	7.51	-72.59
CC(NC(=O)N(CC[NH+](C)C)CC1=CSC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904781	0	57	0.0	-79.87	435.00	10.73	-69.14
CC(NC(=O)NC1CC[N@H+](C)C(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904826	0	54	0.0	-76.71	384.91	6.82	-69.89
CC(NC(=O)NC1CC[N@@H+](C)C(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904826	1	54	0.0	-75.39	384.89	6.82	-68.57
COCCC[N@H+](C)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904829	0	57	0.0	-80.55	424.80	6.26	-74.29
COCCC[N@@H+](C)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904829	1	57	0.0	-80.76	424.81	6.24	-74.52
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C[NH+]1CCN(C)CC1	REAL300013904842	0	62	0.0	-77.96	446.99	6.67	-71.29
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CN1CC[NH+](C)CC1	REAL300013904842	1	62	0.0	-78.66	449.72	7.04	-71.62
CCN1CC[NH+](CC(C)CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013904843	0	65	0.0	-78.31	461.90	6.99	-71.32
CC[NH+]1CCN(CC(C)CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013904843	1	65	0.0	-77.65	466.96	7.69	-69.96
CC(C)[NH+]1CCC(O)(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013904855	0	61	0.0	-76.65	435.52	5.96	-70.69
CC(NC(=O)N(C)CCCN1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904878	0	62	0.0	-71.25	449.53	8.36	-62.89
CC(NC(=O)N(C)CCC[NH+]1CCN(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904878	1	62	0.0	-75.49	449.14	8.25	-67.24
CC(NC(=O)N1CCCC2C[N@H+](C)CCC21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904879	0	58	0.0	-70.48	405.06	9.83	-60.65
CC(NC(=O)N1CCCC2C[N@@H+](C)CCC21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904879	1	58	0.0	-71.69	406.12	9.73	-61.96
CC(NC(=O)NCC1(C)CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904894	0	57	0.0	-79.55	405.27	8.17	-71.38
CC(NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904916	0	60	0.0	-76.31	420.39	9.15	-67.16
CC[N@H+](CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CCC(F)(F)F	REAL300013904930	0	56	0.0	-82.89	426.91	8.32	-74.57
CC[N@@H+](CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CCC(F)(F)F	REAL300013904930	1	56	0.0	-83.45	424.45	7.83	-75.62
CCCN(CC[NH+]1CCCC1)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904932	0	60	0.0	-69.10	438.58	11.10	-58.00
CC(NC(=O)N1CC([NH+]2CCCC2)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904937	0	58	0.0	-83.91	418.60	9.71	-74.20
CC(NC(=O)N1CC([N@H+](C)CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904940	0	58	0.0	-86.01	437.48	10.69	-75.32
CC(NC(=O)N1CC([N@@H+](C)CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904940	1	58	0.0	-84.85	437.79	10.61	-74.24
CC(NC(=O)N(C)C1CC2CCC(C1)[NH+]2C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904946	0	58	0.0	-78.23	403.32	9.61	-68.62
CCCN(CC[NH+]1CCCCC1)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904947	0	63	0.0	-68.39	455.28	11.87	-56.52
CCC[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013904975	0	57	0.0	-76.92	414.98	8.49	-68.43
CC(NC(=O)N1CC2C[N@H+](C)C(C3=CC=CC=C3)C2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904989	0	62	0.0	-83.16	444.44	10.88	-72.28
CC(NC(=O)N1CC2C[N@@H+](C)C(C3=CC=CC=C3)C2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013904989	1	62	0.0	-84.78	447.16	11.37	-73.41
CC(NC(=O)NC1CCCCC1[NH+]1CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905009	1	62	0.0	-79.50	437.10	7.77	-71.73
CC1=CC=C(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(N2CCCC2)=[NH+]1	REAL300013905048	1	60	0.0	-71.70	436.58	8.72	-62.98
CC(NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CC[N@H+](C)CC1	REAL300013905050	0	55	0.0	-81.23	402.05	7.87	-73.36
CC(NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CC[N@@H+](C)CC1	REAL300013905050	1	55	0.0	-81.25	405.42	8.39	-72.86
CC(NC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905052	0	64	0.0	-78.07	459.14	10.51	-67.56
CC(NC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905052	1	64	0.0	-71.99	448.47	9.99	-62.00
CC[NH+](CC)CCCC1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013905064	0	69	0.0	-81.74	484.38	12.30	-69.44
CC(NC(=O)NCCC[N@@H+]1CCCOC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905091	0	61	0.0	-79.15	440.82	7.57	-71.58
CC(NC(=O)NCCC[N@H+]1CCCOC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905091	1	61	0.0	-78.87	440.61	7.59	-71.28
CC(NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905095	0	66	0.0	-78.41	464.16	8.98	-69.43
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905102	0	57	0.0	-74.45	414.62	7.87	-66.58
CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905102	1	57	0.0	-75.33	411.38	7.62	-67.71
CC(NC(=O)N(C)CCC[N@H+](C)CC1=CC=CO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905111	0	60	0.0	-74.74	450.93	10.85	-63.89
CC(NC(=O)N(C)CCC[N@@H+](C)CC1=CC=CO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905111	1	60	0.0	-75.50	449.84	10.76	-64.74
CC(NC(=O)N1CCC([NH+]2CCCC2)C1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905128	0	58	0.0	-77.54	411.73	9.35	-68.19
CCN(CC[NH+]1CCCCCC1)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905130	0	63	0.0	-72.48	439.30	10.75	-61.73
CC(NC(=O)N(C)CCC1CCCC[N@@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905136	0	60	0.0	-75.13	418.52	9.93	-65.20
CC(NC(=O)N(C)CCC1CCCC[N@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905136	1	60	0.0	-75.17	428.14	10.16	-65.01
CC(NC(=O)N1CCC2C(CCC[N@@H+]2C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905177	0	58	0.0	-79.64	407.29	9.89	-69.75
CC(NC(=O)N1CCC2C(CCC[N@H+]2C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905177	1	58	0.0	-81.99	398.09	9.07	-72.92
CC(NC(=O)N1CCN(C(=O)C2CCC[N@@H+]2C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905186	0	62	0.0	-85.36	441.15	8.83	-76.53
CC(NC(=O)N1CCN(C(=O)C2CCC[N@H+]2C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905186	1	62	0.0	-77.48	444.97	8.74	-68.74
CC(NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905187	0	61	0.0	-80.77	422.39	10.21	-70.56
CC1=CC=[NH+]C(N2CCN(C(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CC2)=C1	REAL300013905189	1	57	0.0	-68.70	416.75	8.85	-59.85
CC(NC(=O)NNC1=[NH+]N=CC(N)=C1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905198	0	45	0.0	-69.65	363.33	4.07	-65.58
CC(NC(=O)NCC1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905254	0	58	0.0	-72.21	421.49	8.65	-63.56
CC(NC(=O)NCC1CCCC[N@H+]1C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905254	1	58	0.0	-73.07	410.23	8.79	-64.28
CC(NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905274	0	60	0.0	-76.32	428.18	8.45	-67.87
CC(NC(=O)NCC[N@H+]1CCCC(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905274	1	60	0.0	-75.97	428.12	8.79	-67.18
CC(NC(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905283	0	57	0.0	-73.78	432.79	9.73	-64.05
CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905318	0	61	0.0	-76.78	447.60	9.89	-66.89
CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905318	1	61	0.0	-77.88	442.85	10.41	-67.47
CC(NC(=O)N1CCC([N@H+](C)CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905325	0	61	0.0	-79.12	448.20	11.29	-67.83
CC(NC(=O)N1CCC([N@@H+](C)CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905325	1	61	0.0	-80.89	451.21	11.36	-69.53
CC(NC(=O)NC1CC[N@H+](CC2CCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905339	0	61	0.0	-78.87	440.32	9.58	-69.29
CC(NC(=O)NC1CC[N@@H+](CC2CCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905339	1	61	0.0	-79.43	440.14	9.67	-69.76
CC[N@@H+]1CCCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013905378	0	54	0.0	-78.71	381.56	9.54	-69.17
CC[N@H+]1CCCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013905378	1	54	0.0	-81.24	382.58	9.76	-71.48
CC(NC(=O)NC(C)C1C[N@H+](C)CCO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905387	1	55	0.0	-82.54	405.48	6.63	-75.91
CC(NC(=O)NC(C)C1C[N@@H+](C)CCO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905387	1	55	0.0	-81.75	392.79	5.28	-76.47
CC(CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCCCC1	REAL300013905396	0	60	0.0	-72.09	424.79	8.76	-63.33
CC(NC(=O)N(C)C(C)C1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905405	0	60	0.0	-72.13	426.85	10.85	-61.28
CC[NH+](CC)CCOCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905417	0	60	0.0	-73.44	438.43	6.92	-66.52
CC(NC(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905427	0	58	0.0	-76.89	424.21	9.14	-67.75
CC1=C[NH+]=CC=C1OC1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013905437	1	59	0.0	-81.60	436.81	9.49	-72.11
CC(NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905452	0	62	0.0	-82.22	433.37	8.83	-73.39
CC(NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905452	1	62	0.0	-81.30	431.87	8.65	-72.65
CC(NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905453	0	62	0.0	-83.43	431.47	8.88	-74.55
CC(NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905453	1	62	0.0	-81.65	431.35	8.70	-72.95
CC(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905464	0	64	0.0	-71.47	465.00	8.46	-63.01
CC(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905464	1	64	0.0	-72.06	465.00	8.46	-63.60
CC(NC(=O)N(C)CCCN(C)CC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905464	1	64	0.0	-76.69	465.25	8.62	-68.07
CCCN(CC[NH+]1CCCCCC1)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905465	0	66	0.0	-68.97	465.29	12.05	-56.92
CC(NC(=O)N[C@H](C)C[N@H+](C)CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905471	0	60	0.0	-82.80	444.11	10.11	-72.69
CC(NC(=O)N[C@H](C)C[N@@H+](C)CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905471	1	60	0.0	-81.53	447.03	10.57	-70.96
CCCC[N@H+](C)C[C@H](C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905486	0	59	0.0	-75.23	428.09	8.69	-66.54
CCCC[N@@H+](C)C[C@H](C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905486	1	59	0.0	-80.82	431.55	9.22	-71.60
CCC[N@H+](C)CC1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013905513	0	60	0.0	-78.81	430.63	9.82	-68.99
CCC[N@@H+](C)CC1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013905513	1	60	0.0	-78.95	430.37	9.83	-69.12
CC[NH+](CC)C1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013905514	0	57	0.0	-76.85	402.34	8.67	-68.18
CC(NC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905521	0	61	0.0	-81.78	448.47	10.10	-71.68
CC(NC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905521	1	61	0.0	-79.23	447.98	10.10	-69.13
CC[N@@H+]1CCC(N(C)C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)C1	REAL300013905548	0	60	0.0	-72.23	405.52	9.71	-62.52
CC[N@H+]1CCC(N(C)C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)C1	REAL300013905548	1	60	0.0	-72.36	408.80	10.19	-62.17
CC(C)C[N@@H+]1CCCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013905550	0	63	0.0	-76.21	448.92	9.46	-66.75
CC(C)C[N@H+]1CCCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013905550	1	63	0.0	-75.74	449.93	9.49	-66.25
CC(NC(=O)N1CCC2C(CCC[N@@H+]2C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905555	0	62	0.0	-79.53	432.51	10.88	-68.65
CC(NC(=O)N1CCC2C(CCC[N@H+]2C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905555	1	62	0.0	-75.48	428.38	10.61	-64.87
CC(NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905585	0	60	0.0	-80.03	422.45	9.01	-71.02
CC(NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905624	1	61	0.0	-71.99	442.23	8.76	-63.23
CC(NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905624	1	61	0.0	-74.39	438.49	9.14	-65.25
CC(NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905625	1	61	0.0	-75.09	437.40	8.95	-66.14
CC(NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905625	1	61	0.0	-72.61	437.54	8.67	-63.94
CCCC[N@H+](C)C[C@@H](C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905638	0	59	0.0	-80.23	428.43	8.77	-71.46
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905638	1	59	0.0	-79.98	428.08	8.70	-71.28
CC(C)[N@H+](C)C[C@H](C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905640	0	56	0.0	-77.42	405.01	8.18	-69.24
CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905640	1	56	0.0	-77.73	401.27	8.63	-69.10
CCCC[N@H+](C)CC(C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905642	0	59	0.0	-80.26	429.36	8.79	-71.47
CCCC[N@@H+](C)CC(C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905642	1	59	0.0	-77.28	428.75	8.73	-68.55
CC1=CC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=CC(N2CCCC2)=[NH+]1	REAL300013905652	1	60	0.0	-71.06	451.78	8.15	-62.91
CSC1(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC[NH+](C)CC1	REAL300013905654	0	58	0.0	-75.52	422.02	8.08	-67.44
CC(NC(=O)N1CCC2CCC(C1)[N@@H+]2C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905693	0	55	0.0	-75.05	371.28	8.91	-66.14
CC(NC(=O)N1CCC2CCC(C1)[N@H+]2C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905693	1	55	0.0	-67.88	380.34	8.72	-59.16
CC1=[NH+]C=CN1CCCN(C)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905702	1	55	0.0	-70.59	418.11	10.49	-60.10
CC(C)N(CC[NH+](C)C)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905713	0	56	0.0	-81.31	403.26	9.19	-72.12
CC(NC(=O)NCC1(O)CC[N@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905736	0	52	0.0	-78.86	383.46	3.32	-75.54
CC(NC(=O)NCC1(O)CC[N@@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905736	1	52	0.0	-77.08	386.46	3.86	-73.22
CCCN(CC[NH+](CC)CC)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905744	0	62	0.0	-71.51	444.53	11.12	-60.39
CC(NC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905752	0	61	0.0	-78.55	452.22	10.17	-68.38
CC(NC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905752	1	61	0.0	-79.72	452.54	10.05	-69.67
CC(NC(=O)NCC1[N@H+](C)CCCC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905777	0	60	0.0	-75.27	412.55	9.45	-65.82
CC(NC(=O)NCC1[N@@H+](C)CCCC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905777	1	60	0.0	-79.67	413.26	8.39	-71.28
CC(NC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905785	0	61	0.0	-80.42	453.10	10.04	-70.38
CC(NC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905785	1	61	0.0	-80.63	453.57	10.03	-70.60
CC[NH+](CC)[C@H](C)CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905798	0	56	0.0	-72.48	392.96	7.38	-65.10
CC(NC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905800	0	62	0.0	-85.39	452.90	11.65	-73.74
CC(NC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905800	1	62	0.0	-85.02	453.61	11.72	-73.30
CCC[N@H+](CC)C[C@@H](C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905816	0	59	0.0	-73.13	416.89	9.44	-63.69
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905816	1	59	0.0	-77.96	420.17	8.32	-69.64
CCC[N@H+](CC)C[C@H](C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905819	0	59	0.0	-73.35	419.95	8.35	-65.00
CCC[N@@H+](CC)C[C@H](C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905819	1	59	0.0	-72.23	424.76	8.65	-63.58
CC(NC(=O)N1CCCC(C[N@@H+]2CCCCC2C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905851	0	67	0.0	-80.28	461.34	11.74	-68.54
CC(NC(=O)N1CCCC(C[N@H+]2CCCCC2C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905851	1	67	0.0	-70.55	462.78	11.78	-58.77
CC(C)[N@@H+]1C2CCC1CN(C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CC2	REAL300013905881	0	61	0.0	-77.79	406.98	9.81	-67.98
CC(C)[N@H+]1C2CCC1CN(C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CC2	REAL300013905881	1	61	0.0	-71.01	419.15	10.90	-60.11
CC(NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905883	0	65	0.0	-78.91	466.95	10.08	-68.83
CC(NC(=O)N1CCC(C[NH+]2CCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905888	0	58	0.0	-77.80	416.72	9.51	-68.29
CC(NC(=O)N1CCC(C[N@H+](C)CC2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905894	0	61	0.0	-79.27	442.10	10.63	-68.64
CC(NC(=O)N1CCC(C[N@@H+](C)CC2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905894	1	61	0.0	-79.88	440.47	10.61	-69.27
CC(C)[NH+](CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C	REAL300013905895	0	62	0.0	-74.51	430.49	8.09	-66.42
CC(C)OCC[NH+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013905896	1	61	0.0	-78.63	441.35	8.91	-69.72
CC(CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300013905907	0	63	0.0	-76.38	456.62	10.02	-66.36
CC(CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300013905907	1	63	0.0	-80.36	460.80	10.07	-70.29
CC(NC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905913	0	57	0.0	-82.21	436.63	9.42	-72.79
CCC[N@H+](CC)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905917	0	56	0.0	-75.66	408.74	7.93	-67.73
CCC[N@@H+](CC)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905917	1	56	0.0	-76.05	406.32	7.46	-68.59
CC[NH+](CC)CCOC1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013905923	0	64	0.0	-76.18	457.16	9.01	-67.17
CC(NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905931	0	67	0.0	-83.17	473.96	12.03	-71.14
CC(NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905935	1	64	0.0	-72.85	441.76	9.12	-63.73
CC(NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905942	0	67	0.0	-77.30	468.96	10.48	-66.82
CC(NC(=O)NCC(C)(O)C[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013905944	0	54	0.0	-73.33	393.61	4.64	-68.69
CC(NC(=O)NCC[N@H+]1CC=CCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906013	0	52	0.0	-77.67	385.98	7.24	-70.43
CC(NC(=O)NCC[N@@H+]1CC=CCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906013	1	52	0.0	-77.65	385.94	7.25	-70.40
CC(NC(=O)N1CC[N@@H+](C2CCC2)CC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906062	0	61	0.0	-77.44	426.75	10.60	-66.84
CC(NC(=O)N1CC[N@H+](C2CCC2)CC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906062	1	61	0.0	-72.13	426.28	10.87	-61.26
CC(NC(=O)N1CCC2(CC[N@H+](C)C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906072	0	55	0.0	-82.04	399.63	8.63	-73.41
CC(NC(=O)N1CCC2(CC[N@@H+](C)C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906072	1	55	0.0	-80.63	395.88	8.57	-72.06
CC(NC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906075	0	61	0.0	-75.76	448.16	9.78	-65.98
CC(NC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906075	1	61	0.0	-75.55	447.53	10.51	-65.04
CC(NC(=O)NC1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906089	0	52	0.0	-74.85	383.83	7.31	-67.54
CC(NC(=O)NC1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906089	1	52	0.0	-74.99	387.45	7.72	-67.27
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300013906093	0	63	0.0	-87.06	466.21	12.64	-74.42
CC(NC(=O)N1CCC(OCC[NH+](C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906094	0	61	0.0	-79.03	442.26	9.05	-69.98
CC(NC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906099	0	63	0.0	-78.00	449.25	6.42	-71.58
CC(NC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906099	1	63	0.0	-78.58	452.45	6.90	-71.68
CC(NC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906099	1	63	0.0	-81.59	452.43	6.82	-74.77
CC(NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906113	0	64	0.0	-75.80	451.77	10.13	-65.67
CC(C)OCC[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013906119	0	64	0.0	-74.91	468.20	8.65	-66.26
CC(NC(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906124	0	59	0.0	-81.22	417.19	8.05	-73.17
CC(NC(=O)NCCCCCCC[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906129	0	66	0.0	-77.65	481.66	10.38	-67.27
CC(NC(=O)NC(C)(C)C[N@H+](C)CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906143	0	63	0.0	-84.27	452.24	11.55	-72.72
CC(NC(=O)NC(C)(C)C[N@@H+](C)CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906143	1	63	0.0	-82.31	453.15	11.50	-70.81
CC(NC(=O)N1CCN(C2=CC=[NH+]C=C2Cl)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906151	1	54	0.0	-81.27	411.59	7.94	-73.33
CC[N@H+](CCO)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906161	0	54	0.0	-75.62	390.33	3.14	-72.48
CC[N@@H+](CCO)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906161	1	54	0.0	-76.25	397.42	3.90	-72.35
CC(NC(=O)N(C)CC[N@H+](C)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906176	0	54	0.0	-71.77	398.81	9.57	-62.20
CC(NC(=O)N(C)CC[N@@H+](C)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906176	1	54	0.0	-68.86	399.59	9.66	-59.20
CC(CC[NH+]1CCN(C)CC1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906186	0	62	0.0	-76.74	452.07	6.94	-69.80
CC(CCN1CC[NH+](C)CC1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906186	1	62	0.0	-81.05	451.67	6.99	-74.06
CC(NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906189	0	65	0.0	-80.47	454.35	6.31	-74.16
CC(NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906189	1	65	0.0	-79.47	458.41	6.90	-72.57
CC(NC(=O)N(C)C1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906194	0	66	0.0	-77.72	465.71	8.91	-68.81
CC(NC(=O)N(C)C1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906194	1	66	0.0	-76.91	462.14	8.40	-68.51
CC(NC(=O)N(C)C1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906194	1	66	0.0	-76.91	466.13	8.92	-67.99
CC(NC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906243	0	64	0.0	-82.19	462.52	6.34	-75.85
CC(NC(=O)N(C)CC1CCC[N@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906273	0	57	0.0	-77.41	405.47	9.23	-68.18
CC(NC(=O)N(C)CC1CCC[N@@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906273	1	57	0.0	-78.18	398.83	8.85	-69.33
CC(NC(=O)N1CCN(C2CCC[N@H+](C)C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906277	0	63	0.0	-83.43	440.12	7.90	-75.53
CC(NC(=O)N1CCN(C2CCC[N@@H+](C)C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906277	1	63	0.0	-81.63	429.80	7.31	-74.32
CC(NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906286	0	64	0.0	-77.41	435.11	10.66	-66.75
CCOCCC[N@@H+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)C1	REAL300013906287	0	67	0.0	-79.57	486.44	8.77	-70.80
CCOCCC[N@H+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C)C1	REAL300013906287	1	67	0.0	-78.80	477.23	8.68	-70.12
CC(NC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906288	0	64	0.0	-82.09	460.72	4.91	-77.18
CC(NC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906288	1	64	0.0	-82.90	464.23	5.41	-77.49
CC(NC(=O)NCC1([NH+](C)C)CCSC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906300	0	55	0.0	-79.02	396.84	7.93	-71.09
CC(NC(=O)N1CC[NH+](C2CC3CCC2C3)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906311	0	62	0.0	-78.61	426.15	11.00	-67.61
CC[N@@H+]1CCC(N(C)C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1C	REAL300013906313	0	60	0.0	-76.50	415.93	9.57	-66.93
CC[N@H+]1CCC(N(C)C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1C	REAL300013906313	1	60	0.0	-75.04	411.58	9.77	-65.27
CC(NC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906321	0	57	0.0	-86.65	435.03	9.42	-77.23
CC(NC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906321	1	57	0.0	-86.15	431.76	8.95	-77.20
CC(NC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906322	0	64	0.0	-81.64	464.82	9.70	-71.94
CC(NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906328	0	61	0.0	-74.93	433.48	9.05	-65.88
CC(NC(=O)N1CCC(C2CC[NH+](C)CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906330	0	61	0.0	-80.94	435.08	10.10	-70.84
CC(NC(=O)NC(C)(C)CC[NH+]1CCCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906392	0	66	0.0	-81.97	451.54	9.56	-72.41
CC(NC(=O)NCC1CCC[N@@H+]1C1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906414	0	64	0.0	-74.84	451.44	9.51	-65.33
CC(NC(=O)NCC1CCC[N@H+]1C1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906414	1	64	0.0	-76.81	440.23	10.39	-66.42
CC(NC(=O)N(C)CCC[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906419	0	57	0.0	-75.34	415.40	10.00	-65.34
CC(NC(=O)N1CCC2(C1)CCC[N@H+](C)C2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906428	0	58	0.0	-79.50	411.92	9.40	-70.10
CC(NC(=O)N1CCC2(C1)CCC[N@@H+](C)C2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906428	1	58	0.0	-79.14	408.92	9.42	-69.72
CC(NC(=O)NCCCCC[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906434	0	60	0.0	-78.51	437.54	8.71	-69.80
C#CC[N@@H+](C)CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906448	0	52	0.0	-80.15	395.40	7.31	-72.84
C#CC[N@H+](C)CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906448	1	52	0.0	-80.01	395.39	7.31	-72.70
CC(NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906449	0	54	0.0	-72.71	376.28	8.11	-64.60
CC(NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906449	1	54	0.0	-76.65	382.61	8.37	-68.28
COCC[NH+]1C2CCC1CC(N(C)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C2	REAL300013906455	0	65	0.0	-63.97	425.55	7.58	-56.39
CCC1C[N@H+](C)CCN1C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906456	0	54	0.0	-82.42	381.25	8.55	-73.87
CCC1C[N@@H+](C)CCN1C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906456	1	54	0.0	-82.47	386.11	9.17	-73.30
CC(NC(=O)NC(CC[NH+](C)C)C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906469	0	62	0.0	-84.81	439.89	9.17	-75.64
CC[N@H+](C)CC1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013906493	0	57	0.0	-78.23	409.13	9.07	-69.16
CC[N@@H+](C)CC1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013906493	1	57	0.0	-78.33	408.87	9.08	-69.25
CC(NC(=O)NC1CCCC([NH+](C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906499	0	57	0.0	-83.76	401.75	8.12	-75.64
CC(NC(=O)N1CC[NH+](CC2CCOC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906517	0	59	0.0	-86.20	422.84	8.23	-77.97
CC(NC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906561	0	60	0.0	-75.85	459.60	6.60	-69.25
CC(NC(=O)N1CCC(C[NH+](C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906576	0	54	0.0	-77.41	390.73	8.39	-69.02
CC(NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906635	0	67	0.0	-78.57	458.82	9.65	-68.92
CC(NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906636	0	62	0.0	-76.16	435.18	5.92	-70.24
CC(NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906636	1	62	0.0	-74.62	435.20	5.91	-68.71
CC(NC(=O)N1CC[N@@H+](C2CC2)CC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906655	0	58	0.0	-71.34	411.36	10.27	-61.07
CC(NC(=O)N1CC[N@H+](C2CC2)CC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906655	1	58	0.0	-69.89	414.52	10.95	-58.94
CC(NC(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906726	0	64	0.0	-76.19	444.09	9.33	-66.86
CC(C)CC[NH+]1CCC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013906729	0	66	0.0	-81.13	469.88	9.94	-71.19
COC1CC[NH+](CCNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013906730	0	58	0.0	-79.71	423.02	6.19	-73.52
CC(NC(=O)N1CC(C)C([NH+]2CCOCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906732	1	59	0.0	-77.57	419.07	8.28	-69.29
CC(NC(=O)N1CCC([NH+]2CCN(C)CC2)C(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906743	0	66	0.0	-80.67	452.32	8.76	-71.91
CC(NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906748	0	64	0.0	-78.11	457.22	10.37	-67.74
CC[N@@H+]1CC(C)N(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1C	REAL300013906755	0	57	0.0	-76.28	399.13	9.13	-67.15
CC[N@H+]1CC(C)N(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1C	REAL300013906755	1	57	0.0	-77.64	397.82	9.11	-68.53
CCCC1CN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC[N@@H+]1CCOC	REAL300013906766	0	64	0.0	-77.72	452.54	9.67	-68.05
CCCC1CN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC[N@H+]1CCOC	REAL300013906766	1	64	0.0	-76.39	448.33	9.17	-67.22
CC(NC(=O)N1CCC(CCC[NH+](C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906768	0	63	0.0	-83.87	449.60	10.95	-72.92
CC(NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906822	0	62	0.0	-74.65	436.83	8.95	-65.70
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906831	0	63	0.0	-77.65	451.24	10.25	-67.40
CC(NC(=O)NCC1CCC[N@@H+]1CCCO)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906832	0	58	0.0	-76.20	427.91	4.72	-71.48
CC(NC(=O)NCC1CCC[N@H+]1CCCO)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906832	1	58	0.0	-76.92	423.41	4.29	-72.63
CC(NC(=O)NC1CCC[N@H+](CCCO)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906837	0	58	0.0	-81.84	418.44	5.12	-76.72
CC(NC(=O)NC1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906837	1	58	0.0	-82.44	425.56	5.07	-77.37
CC(C)C[N@@H+]1CCOC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013906871	0	61	0.0	-74.69	438.27	7.14	-67.55
CC(C)C[N@H+]1CCOC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013906871	1	61	0.0	-73.70	435.60	7.01	-66.69
CC(NC(=O)N1CC[N@H+](C)CC1C1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906885	1	58	0.0	-85.13	417.03	10.44	-74.69
CC(NC(=O)N1CC[N@@H+](C)CC1C1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906885	1	58	0.0	-84.14	413.99	10.48	-73.66
CC(NC(=O)N(CC[NH+](C)C)CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906893	0	60	0.0	-92.62	450.30	12.16	-80.46
CC(NC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906894	0	57	0.0	-82.11	429.05	8.93	-73.18
CC(NC(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906907	0	62	0.0	-74.38	435.24	9.06	-65.32
CC(NC(=O)N1CCN(C2=CC=[NH+]C=C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906926	0	54	0.0	-80.48	397.90	7.23	-73.25
CC(NC(=O)NCCC[NH+]1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906930	0	57	0.0	-78.18	415.04	8.44	-69.74
CC(NC(=O)NCCC[NH+]1CCC(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906932	0	60	0.0	-78.91	435.88	9.05	-69.86
CC(NC(=O)NCCC[N@H+](C)CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906936	0	60	0.0	-81.43	446.89	9.68	-71.75
CC(NC(=O)NCCC[N@@H+](C)CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906936	1	60	0.0	-81.29	446.84	9.68	-71.61
CC[NH+](CC)CC1=CC=C(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=C1	REAL300013906948	0	63	0.0	-79.85	462.16	10.42	-69.43
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906951	0	63	0.0	-65.39	452.41	10.18	-55.21
CC(NC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013906976	0	61	0.0	-65.72	447.21	10.27	-55.45
CC(NC(=O)N1CC[NH+](CCC2=CC=CC=C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907008	1	61	0.0	-85.30	448.62	11.83	-73.47
CC(NC(=O)N1CCC[N@H+](CC2=CC=CC=C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907011	0	61	0.0	-84.86	440.41	12.55	-72.31
CC(NC(=O)N1CCC[N@@H+](CC2=CC=CC=C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907011	1	61	0.0	-78.46	439.08	12.16	-66.30
COCC[NH+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013907015	1	55	0.0	-78.37	399.23	7.19	-71.18
CC(NC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907031	1	58	0.0	-75.65	436.11	5.78	-69.87
CC(NC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907033	1	64	0.0	-72.66	442.17	7.36	-65.30
CC(NC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907050	0	55	0.0	-73.74	401.15	7.96	-65.78
CC(NC(=O)NCCC[NH+]1CC(C)OC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907061	0	61	0.0	-81.11	445.48	7.05	-74.06
CC(C)C[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013907064	0	60	0.0	-76.23	432.42	9.17	-67.06
CC(C)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCOCC1	REAL300013907068	1	61	0.0	-72.79	420.84	7.32	-65.47
CC(NC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907069	1	60	0.0	-72.78	442.16	7.99	-64.79
CC(NC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907071	1	57	0.0	-73.39	430.38	7.57	-65.82
CCC(CC)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCOCC1	REAL300013907075	0	67	0.0	-76.42	454.74	8.56	-67.86
CC(C)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCN(C)CC1	REAL300013907079	0	65	0.0	-74.95	439.94	6.81	-68.14
CC(C)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)N1CC[NH+](C)CC1	REAL300013907079	1	65	0.0	-70.61	451.87	7.91	-62.70
CC[NH+](CC)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CC(C)C	REAL300013907080	0	65	0.0	-74.75	440.97	9.52	-65.23
CC(NC(=O)N(CC1=CC=CO1)C1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907084	0	61	0.0	-70.13	437.30	10.65	-59.48
CC(NC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907091	0	61	0.0	-73.80	436.70	9.71	-64.09
CC(C)CN(CC[NH+](C)C)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907112	0	59	0.0	-75.51	424.28	9.99	-65.52
CC(NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907115	0	61	0.0	-80.72	425.76	10.50	-70.22
CC(NC(=O)N1CC[NH+](C2CCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907123	0	58	0.0	-80.21	405.68	9.72	-70.49
CC(C)[NH+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013907124	0	54	0.0	-77.35	384.26	8.61	-68.74
CC(NC(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907128	0	58	0.0	-78.55	411.41	9.77	-68.78
CC[NH+](CC)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907138	0	53	0.0	-74.89	379.35	6.39	-68.50
CC[NH+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013907143	1	51	0.0	-79.57	367.63	8.12	-71.45
CC(NC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907149	1	58	0.0	-82.38	426.45	11.03	-71.35
CC(NC(=O)NCCC[NH+]1CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907165	1	55	0.0	-80.85	403.09	5.55	-75.30
CC(NC(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907182	0	62	0.0	-79.11	449.03	6.77	-72.34
CC(NC(=O)NC1CC[NH+](CCN(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907182	1	62	0.0	-77.85	448.93	6.55	-71.30
CC(NC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907183	0	60	0.0	-80.62	443.53	8.63	-71.99
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907185	0	63	0.0	-66.25	456.67	10.32	-55.93
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907185	1	63	0.0	-66.44	454.58	10.95	-55.49
CC(NC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907186	0	61	0.0	-81.62	459.87	8.77	-72.85
CC(NC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907187	0	61	0.0	-78.49	462.08	9.17	-69.32
CC(NC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907189	1	57	0.0	-72.68	430.34	7.56	-65.12
CC(NC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907190	1	58	0.0	-75.88	436.44	6.02	-69.86
CC(NC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907194	0	61	0.0	-80.11	448.31	10.12	-69.99
CC[NH+](CC)CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907220	0	56	0.0	-77.32	400.85	7.17	-70.15
CCN(CC)C1=CC=C(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C=[NH+]1	REAL300013907236	1	59	0.0	-69.81	444.09	9.07	-60.74
CC(NC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907237	1	60	0.0	-72.95	445.06	8.28	-64.67
CC(NC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907256	1	58	0.0	-79.54	436.04	5.83	-73.71
CC(NC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907257	0	61	0.0	-76.43	456.40	10.49	-65.94
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300013907258	0	63	0.0	-76.00	462.03	10.42	-65.58
CC(NC(=O)N(CCC1=CC=CC=C1)CC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907267	0	63	0.0	-84.44	469.04	12.47	-71.97
CC(NC(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907303	1	58	0.0	-94.90	428.41	6.14	-88.76
CC[NH+](CC)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CSC=C1	REAL300013907305	0	60	0.0	-78.40	429.92	9.08	-69.32
CC(C)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+]1CCC(C)CC1	REAL300013907306	0	66	0.0	-72.85	451.06	10.38	-62.47
CC[NH+](CC)C(C)CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907308	0	56	0.0	-74.65	390.32	7.85	-66.80
CC(NC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907309	0	58	0.0	-79.81	430.14	9.48	-70.33
CC(NC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907309	1	58	0.0	-81.80	432.11	9.49	-72.31
CC(NC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907311	0	53	0.0	-72.38	403.74	7.66	-64.72
CC(NC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907312	1	53	0.0	-70.61	400.46	7.17	-63.44
CC(NC(=O)NCC(C1CCCCC1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907313	0	63	0.0	-75.81	431.73	9.75	-66.06
CC(NC(=O)NCC(C1=CSC=C1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907315	0	54	0.0	-77.43	409.93	7.90	-69.53
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+]1CCCC(C)C1	REAL300013907316	0	60	0.0	-75.49	424.98	8.52	-66.97
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@H+]1CCCC(C)C1	REAL300013907316	1	60	0.0	-76.16	425.37	8.60	-67.56
CC(NC(=O)NCC[NH+]1CCC(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907317	0	57	0.0	-76.79	411.17	7.80	-68.99
CC(NC(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907318	0	63	0.0	-79.01	446.23	9.14	-69.87
CC(NC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907318	1	63	0.0	-78.61	446.23	9.14	-69.47
CC(NC(=O)NCCC[NH+]1CC(C)CC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907320	0	63	0.0	-78.40	453.50	9.15	-69.25
CC(NC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907321	0	61	0.0	-82.44	453.87	10.63	-71.81
CC(NC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907321	1	61	0.0	-82.40	449.93	10.10	-72.30
CC(C[NH+]1CCCCC1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907322	0	57	0.0	-78.70	412.40	8.91	-69.79
CC(NC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907323	0	61	0.0	-80.85	454.75	11.35	-69.50
CC(NC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907326	0	57	0.0	-77.70	419.88	8.92	-68.78
CC(C)[NH+](CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C	REAL300013907327	0	59	0.0	-73.04	410.76	7.26	-65.78
CC(NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907343	0	62	0.0	-86.95	439.37	9.04	-77.91
CC(NC(=O)N1CCC(C[NH+](C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907344	0	57	0.0	-80.29	405.81	9.71	-70.58
CC(NC(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907380	0	60	0.0	-74.53	405.24	8.84	-65.69
CC(NC(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907381	0	63	0.0	-78.90	453.71	9.33	-69.57
CC(NC(=O)NCCCC[N@@H+]1CCCCC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907382	0	63	0.0	-76.78	446.85	9.09	-67.69
CC(NC(=O)NCCCC[N@H+]1CCCCC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907382	1	63	0.0	-76.14	453.56	9.39	-66.75
CC(NC(=O)NCCCC[N@@H+]1CCCC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907383	0	63	0.0	-77.83	453.68	9.33	-68.50
CC(NC(=O)NCCCC[N@H+]1CCCC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907383	1	63	0.0	-77.79	451.01	9.51	-68.28
CCN1CC[NH+](CCCCNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013907384	0	65	0.0	-79.18	471.14	7.44	-71.74
CC[NH+]1CCN(CCCCNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013907384	1	65	0.0	-77.06	467.92	6.98	-70.08
CC(NC(=O)NCCCC[NH+]1CC(C)CC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907386	0	66	0.0	-78.95	477.76	10.36	-68.59
CCCNC(=O)C[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013907403	1	64	0.0	-82.18	473.80	7.07	-75.11
C=CC[NH+](CC=C)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C	REAL300013907416	0	64	0.0	-75.36	453.07	11.11	-64.25
CC(NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907418	0	67	0.0	-76.15	452.28	10.33	-65.82
COC1=CC=C(C(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)[NH+](C)C)C=C1	REAL300013907419	0	61	0.0	-79.07	449.78	8.25	-70.82
CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907434	0	61	0.0	-75.50	445.16	9.37	-66.13
CC(NC(=O)NCC(C1=CC=CO1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907435	1	54	0.0	-77.48	402.26	7.47	-70.01
CC(NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907439	0	65	0.0	-77.17	438.17	8.29	-68.88
CC(NC(=O)NCC(C1=CC=CS1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907444	0	54	0.0	-76.48	412.38	8.02	-68.46
CC(NC(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907445	0	57	0.0	-78.20	400.81	8.21	-69.99
CC(NC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907476	0	58	0.0	-76.92	424.79	8.28	-68.64
CC(C)[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013907477	0	57	0.0	-74.50	410.15	8.27	-66.23
CC(NC(=O)NC1CC[NH+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907478	0	51	0.0	-77.90	375.83	7.09	-70.81
CC(NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907486	0	60	0.0	-71.51	414.51	8.31	-63.20
CC(NC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907494	0	60	0.0	-74.46	432.88	10.26	-64.20
CC(NC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907496	0	57	0.0	-84.22	423.85	9.95	-74.27
CCC1=CC=C(C(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)[NH+](C)C)C=C1	REAL300013907497	0	63	0.0	-78.12	462.79	10.35	-67.77
CC[NH+](CC)C(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CC=CC=C1	REAL300013907498	0	63	0.0	-73.03	440.67	9.78	-63.25
CC(NC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907499	0	58	0.0	-74.94	429.74	8.76	-66.18
CC(C)C[NH+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013907522	0	57	0.0	-79.96	406.14	9.51	-70.45
CC(NC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907526	0	58	0.0	-80.24	433.04	9.81	-70.43
CC(NC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907526	1	58	0.0	-79.52	433.88	9.88	-69.64
CC[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013907529	0	54	0.0	-75.89	389.47	7.21	-68.68
CC(NC(=O)N1CC[NH+](CC2CCCO2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907532	1	59	0.0	-72.24	423.29	8.57	-63.67
CC(NC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907536	1	57	0.0	-80.32	429.53	9.67	-70.65
CC1=CC=CC(C[NH+]2CCN(C(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CC2)=C1	REAL300013907538	1	61	0.0	-82.35	447.86	11.70	-70.65
CC1=CC=CC=C1C[NH+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013907548	1	61	0.0	-76.22	442.24	11.74	-64.48
CC(NC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907560	0	57	0.0	-77.84	432.14	9.39	-68.45
CC(NC(=O)NC1CC[N@@H+]2CCCC2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907570	0	55	0.0	-73.79	398.59	7.81	-65.98
CC(NC(=O)NC1CC[N@H+]2CCCC2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907570	1	55	0.0	-75.86	393.08	8.08	-67.78
CC(NC(=O)NCC1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907579	0	55	0.0	-76.24	405.67	7.87	-68.37
CC(NC(=O)NCC1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907579	1	55	0.0	-74.72	405.60	7.86	-66.86
CC(NC(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907597	0	63	0.0	-78.78	417.48	9.57	-69.21
COCC[N@H+](C)CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907622	0	57	0.0	-77.87	421.58	5.97	-71.90
COCC[N@@H+](C)CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907622	1	57	0.0	-78.54	420.53	5.94	-72.60
CC[NH+](CC)CCN(CC(C)C)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907633	0	65	0.0	-72.31	460.41	11.38	-60.93
CC(C)CC(C[NH+](C)C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907635	0	59	0.0	-75.65	420.17	8.70	-66.95
CC(NC(=O)N(C)CC1CCC[N@@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907646	0	54	0.0	-73.94	384.14	8.44	-65.50
CC(NC(=O)N(C)CC1CCC[N@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907646	1	54	0.0	-70.57	385.93	8.46	-62.11
CC(NC(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907653	0	57	0.0	-78.27	410.24	8.26	-70.01
COCC(C)(C)[NH+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013907669	0	61	0.0	-75.10	427.42	8.05	-67.05
CC(NC(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907693	0	62	0.0	-79.96	454.92	11.67	-68.29
CC(NC(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907693	1	62	0.0	-79.08	449.57	11.73	-67.35
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)N1C[C@@H](C)O[C@@H](C)C1	REAL300013907714	0	61	0.0	-77.58	438.01	7.05	-70.53
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013907714	1	61	0.0	-74.98	431.01	7.18	-67.80
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013907714	1	61	0.0	-74.98	431.01	7.18	-67.80
CC(NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907715	0	54	0.0	-78.12	399.58	7.45	-70.67
CCC(C)(C)[NH+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013907724	0	60	0.0	-73.47	410.05	9.32	-64.15
CC(NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907731	0	53	0.0	-79.96	380.90	5.18	-74.78
CC(NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907731	1	53	0.0	-79.96	380.90	5.18	-74.78
CC(C)C[N@H+](C)CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907733	0	59	0.0	-79.31	426.64	8.22	-71.09
CC(C)C[N@@H+](C)CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907733	1	59	0.0	-79.31	426.64	8.22	-71.09
CC[N@H+](CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CCCCC1	REAL300013907759	0	66	0.0	-78.14	463.22	9.99	-68.15
CC[N@@H+](CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CCCCC1	REAL300013907759	1	66	0.0	-78.14	463.22	9.99	-68.15
CC(NC(=O)N1CCN(C)CC1CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907760	0	61	0.0	-79.88	440.17	11.55	-68.33
CC(NC(=O)N1CC[N@H+](C)CC1CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907760	1	61	0.0	-82.46	444.95	12.29	-70.17
CC(NC(=O)N1CC[N@@H+](C)CC1CC1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907760	1	61	0.0	-82.46	444.95	12.29	-70.17
CC(NC(=O)NC1CCC[N@@H+]2CCCCC12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907786	0	58	0.0	-75.78	411.49	8.52	-67.26
CC(NC(=O)NC1CCC[N@H+]2CCCCC12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907786	1	58	0.0	-75.78	411.49	8.52	-67.26
CC(NC(=O)N(C)CC[NH+]1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907790	0	57	0.0	-68.86	411.97	10.12	-58.74
CC(NC(=O)N1CCN(CC2=CC=CC=C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907802	0	58	0.0	-82.38	426.45	11.03	-71.35
CC(NC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907802	1	58	0.0	-82.38	426.45	11.03	-71.35
CC(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907857	0	60	0.0	-86.13	444.64	8.53	-77.60
CC(NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907888	0	65	0.0	-82.21	454.83	7.64	-74.57
CC(NC(=O)NC1CC[N@@H+](C(C)(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907905	0	57	0.0	-73.08	404.47	7.48	-65.60
CC(NC(=O)NC1CC[N@H+](C(C)(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907905	1	57	0.0	-73.08	404.47	7.48	-65.60
CC(NC(=O)NCC1=CC=CN=C1N1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907915	0	57	0.0	-76.09	415.48	8.12	-67.97
CC(NC(=O)NCC1=CC=C[NH+]=C1N1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907915	1	57	0.0	-76.09	415.48	8.12	-67.97
CC(NC(=O)NCCC1CCC[N@@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907943	0	54	0.0	-72.57	395.51	7.38	-65.19
CC(NC(=O)NCCC1CCC[N@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907943	1	54	0.0	-72.57	395.51	7.38	-65.19
CC(C[NH+]1CCC(C)CC1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907948	0	60	0.0	-76.41	433.89	9.55	-66.86
CC(NC(=O)NC[C@H]1CCC[N@@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907984	0	51	0.0	-75.78	367.90	6.09	-69.69
CC(NC(=O)NC[C@H]1CCC[N@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013907984	1	51	0.0	-75.78	367.90	6.09	-69.69
CC(NC(=O)NC1CC[N@@H+](C2CCCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908035	0	61	0.0	-76.24	433.45	8.90	-67.34
CC(NC(=O)NC1CC[N@H+](C2CCCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908035	1	61	0.0	-76.71	432.75	8.94	-67.77
CC(NC(=O)N(C)C1CC[N@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908045	0	51	0.0	-79.48	369.78	8.30	-71.18
CC(NC(=O)N(C)C1CC[N@@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908045	1	51	0.0	-78.12	370.22	8.33	-69.79
CC(NC(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908062	0	61	0.0	-80.20	440.39	9.46	-70.74
CC(NC(=O)N1CCOC(CCC[NH+](C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908066	0	61	0.0	-81.98	443.39	8.82	-73.16
CCC[N@@H+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013908078	0	54	0.0	-78.62	397.48	7.78	-70.84
CCC[N@H+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013908078	1	54	0.0	-77.18	397.38	7.73	-69.45
CC(NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908080	1	63	0.0	-80.02	444.73	7.64	-72.38
CC(NC(=O)NC1CC[NH+](C2CCOC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908087	0	59	0.0	-80.22	421.94	6.80	-73.42
CC(C)[NH+]1CCC(CCNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013908163	0	63	0.0	-74.52	446.25	9.00	-65.52
CC(NC(=O)NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908195	0	52	0.0	-77.23	385.21	3.14	-74.09
CC(NC(=O)NCC[N@H+]1CC[C@H](O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908195	1	52	0.0	-76.71	385.73	3.21	-73.50
CCC1([NH+]2CCOCC2)CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013908202	0	65	0.0	-80.84	429.92	8.71	-72.13
CCC1([NH+](C)C)CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013908218	0	60	0.0	-79.36	397.81	9.35	-70.01
CC(NC(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908233	0	61	0.0	-75.85	416.06	9.84	-66.01
CCC1([NH+]2CCCC2)CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013908241	0	64	0.0	-75.31	426.11	10.07	-65.24
CC(NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908246	0	52	0.0	-77.94	389.38	3.66	-74.28
CC(NC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908246	1	52	0.0	-75.61	385.80	3.23	-72.38
COCCN(CC1CC[NH+](C)CC1)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908251	0	64	0.0	-74.99	458.01	9.33	-65.66
CC(NC(=O)N1CCC2(CC1)CC[NH+](C)CC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908254	0	61	0.0	-82.19	418.15	9.98	-72.21
CC(NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908257	0	62	0.0	-74.68	419.84	7.95	-66.73
CC(NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908262	0	58	0.0	-76.12	417.95	5.17	-70.95
CC(NC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908262	1	58	0.0	-76.52	422.82	5.27	-71.25
CC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908299	0	58	0.0	-90.92	426.83	7.72	-83.20
CC(NC(=O)N1CCC2C(CC[N@@H+]2C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908360	0	55	0.0	-81.60	389.35	8.69	-72.91
CC(NC(=O)N1CCC2C(CC[N@H+]2C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908360	1	55	0.0	-76.02	392.02	8.91	-67.11
CC(NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908367	0	63	0.0	-81.71	442.32	7.92	-73.79
CC(NC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908367	1	63	0.0	-73.88	438.50	7.90	-65.98
CC(NC(=O)NCC1C2=CC=CC=C2C[N@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908369	1	55	0.0	-78.49	407.90	8.36	-70.13
CC(NC(=O)NCC1C2=CC=CC=C2C[N@@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908369	1	55	0.0	-78.27	414.46	9.01	-69.26
CC(C)[C@H]1CN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC[N@@H+]1C	REAL300013908375	0	57	0.0	-80.42	393.70	8.90	-71.52
CC(C)[C@H]1CN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC[N@H+]1C	REAL300013908375	1	57	0.0	-79.34	393.10	8.65	-70.69
CC(NC(=O)NC1CCC(C)([NH+](C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908383	0	60	0.0	-81.43	411.00	8.65	-72.78
CC1=CC=C(C[N@H+]2CCC(NC(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C2)C=C1	REAL300013908399	0	61	0.0	-81.12	456.82	10.69	-70.43
CC1=CC=C(C[N@@H+]2CCC(NC(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C2)C=C1	REAL300013908399	1	61	0.0	-81.50	456.73	10.64	-70.86
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908416	0	66	0.0	-74.74	462.77	11.44	-63.30
CC(NC(=O)N1CCN(C)C2=[NH+]C=CC=C2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908427	1	54	0.0	-77.28	392.83	8.16	-69.12
CC(NC(=O)N(C)CCCC[NH+]1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908447	0	63	0.0	-71.76	453.89	11.58	-60.18
CC(NC(=O)N1CC[NH+](C(C)C2=CC=CC=C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908471	1	61	0.0	-78.23	441.45	11.67	-66.56
CCC1([NH+]2CCCCC2)CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013908478	0	67	0.0	-74.33	445.97	11.29	-63.04
CC(NC(=O)N1CC[N@H+](C)C(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908488	0	54	0.0	-78.92	377.83	8.47	-70.45
CC(NC(=O)N1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908488	1	54	0.0	-75.52	375.42	8.43	-67.09
CC(NC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908564	0	64	0.0	-78.69	431.22	10.41	-68.28
CCOC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C[NH+](C)C	REAL300013908599	0	57	0.0	-78.21	421.75	6.84	-71.37
CC[N@@H+]1CCCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCOCC1	REAL300013908639	0	61	0.0	-78.45	417.73	8.60	-69.85
CC[N@H+]1CCCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCOCC1	REAL300013908639	1	61	0.0	-78.45	422.13	9.03	-69.42
CC(NC(=O)NCC1CC(O)C[N@@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908646	0	52	0.0	-77.84	387.58	3.23	-74.61
CC(NC(=O)NCC1CC(O)C[N@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908646	1	52	0.0	-77.28	383.96	3.65	-73.63
CC(NC(=O)NC1CCC[N@@H+]2CCSCC12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908651	0	56	0.0	-80.16	414.57	8.38	-71.78
CC(NC(=O)NC1CCC[N@H+]2CCSCC12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908651	1	56	0.0	-80.06	414.64	8.41	-71.65
CC(NC(=O)NCC1=CC(N(C)C)=CC=[NH+]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908685	0	53	0.0	-69.04	400.13	6.01	-63.03
CC(NC(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908713	0	64	0.0	-79.14	433.56	9.28	-69.86
CCC1([NH+]2CCC2)CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013908717	0	61	0.0	-76.33	408.63	9.29	-67.04
CC(NC(=O)N1CCN(C2=CC=[NH+]C=C2)CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908735	0	57	0.0	-73.97	410.08	7.72	-66.25
CC(NC(=O)NC(CC[NH+](C)C)C1=CC=CN=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908753	0	59	0.0	-79.59	443.53	8.54	-71.05
CC1=CC=C(NCCNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)[NH+]=C1	REAL300013908780	1	53	0.0	-72.90	405.18	6.17	-66.73
CC1=CC=CC(NCCNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=[NH+]1	REAL300013908781	1	53	0.0	-71.49	405.12	6.11	-65.38
CC(C)CC1C[N@H+](C)CCN1C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908796	0	60	0.0	-82.69	413.75	9.46	-73.23
CC(C)CC1C[N@@H+](C)CCN1C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908796	1	60	0.0	-81.19	416.71	9.72	-71.47
CC(NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908828	0	55	0.0	-82.25	395.16	8.51	-73.74
CC(NC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908828	1	55	0.0	-71.07	395.38	8.49	-62.58
CC(NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908910	0	61	0.0	-75.28	422.68	8.22	-67.06
CC[NH+](CC)CC(CC)(CC)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908913	0	65	0.0	-77.88	428.45	9.92	-67.96
CC(NC(=O)NC1CCC2C[N@H+](C)CC2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908947	0	58	0.0	-82.78	412.55	8.44	-74.34
CC(NC(=O)NC1CCC2C[N@@H+](C)CC2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908947	1	58	0.0	-81.53	416.52	8.22	-73.31
CC(NC(=O)NCC1CCCC[N@@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908982	0	54	0.0	-77.59	383.05	7.12	-70.47
CC(NC(=O)NCC1CCCC[N@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013908982	1	54	0.0	-75.23	386.71	7.62	-67.61
CC[N@@H+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1(C)C	REAL300013909008	0	57	0.0	-72.48	394.65	9.16	-63.32
CC[N@H+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1(C)C	REAL300013909008	1	57	0.0	-77.01	395.65	9.11	-67.90
CC(NC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909026	0	65	0.0	-81.47	443.90	8.06	-73.41
CC(NC(=O)N1CCC2C1CCC[N@@H+]2CCO)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909037	0	59	0.0	-79.09	420.85	6.39	-72.70
CC(NC(=O)N1CCC2C1CCC[N@H+]2CCO)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909037	1	59	0.0	-77.76	406.94	5.83	-71.93
CC(NC(=O)N(C)CC(C)(C)C[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909040	0	59	0.0	-75.35	408.37	9.69	-65.66
CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909044	0	59	0.0	-72.47	419.82	8.33	-64.14
CC(NC(=O)NCC[N@@H+]1CCC(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909099	0	57	0.0	-76.22	414.35	7.58	-68.64
CC(NC(=O)NCC[N@H+]1CCC(C)(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909099	1	57	0.0	-76.56	417.32	8.05	-68.51
CC(NC(=O)N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909128	1	61	0.0	-78.34	436.04	11.57	-66.77
CC(NC(=O)N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909128	1	61	0.0	-80.09	443.12	11.47	-68.62
CCC(C)[NH+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013909129	0	60	0.0	-74.23	424.95	8.37	-65.86
CC(NC(=O)N1CC2CCC([NH+](C)C)CC2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909165	0	61	0.0	-82.74	422.35	9.99	-72.75
CCN1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC[N@H+](CC)CC1	REAL300013909186	0	65	0.0	-74.56	435.38	8.15	-66.41
CCN1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC[N@@H+](CC)CC1	REAL300013909186	1	65	0.0	-76.16	432.41	7.96	-68.20
CC(NC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909202	0	57	0.0	-76.68	419.78	6.32	-70.36
CCC1CN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC[N@H+](C)C1	REAL300013909219	0	57	0.0	-76.48	391.95	9.50	-66.98
CCC1CN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC[N@@H+](C)C1	REAL300013909219	1	57	0.0	-76.92	398.99	9.58	-67.34
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013909220	0	68	0.0	-73.33	472.36	7.85	-65.48
CC(NC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909226	0	57	0.0	-72.16	408.23	6.15	-66.01
CC(NC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909226	1	57	0.0	-72.77	410.08	6.16	-66.61
CC(CC1CCCC[N@@H+]1C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909237	0	60	0.0	-78.49	415.86	9.72	-68.77
CC(CC1CCCC[N@H+]1C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909237	1	60	0.0	-78.88	420.18	8.35	-70.53
CC(NC(=O)NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909240	0	58	0.0	-90.16	442.65	8.34	-81.82
CC(NC(=O)N1C[C@H]2C[C@H](CO)[N@H+](C)[C@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909249	0	56	0.0	-76.47	398.79	5.00	-71.47
CC(NC(=O)N1C[C@H]2C[C@H](CO)[N@@H+](C)[C@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909249	1	56	0.0	-69.25	393.73	5.81	-63.44
CC(NC(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909260	1	57	0.0	-76.85	418.06	8.87	-67.98
CC(NC(=O)N(C)CCC[NH+]1CCOCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909261	1	58	0.0	-72.93	424.73	8.46	-64.47
COC(=O)[C@]12CN(C(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C[C@H]1C[N@H+](C)CC2	REAL300013909271	0	61	0.0	-90.19	441.33	9.11	-81.08
COC(=O)[C@]12CN(C(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C[C@H]1C[N@@H+](C)CC2	REAL300013909271	1	61	0.0	-79.84	439.58	9.15	-70.69
CC(NC(=O)N(C)C1CC[NH+](C(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909290	0	63	0.0	-73.69	435.63	10.55	-63.14
CC(NC(=O)N1CCC[N@H+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909294	0	51	0.0	-85.15	364.17	9.04	-76.11
CC(NC(=O)N1CCC[N@@H+](C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909294	1	51	0.0	-80.84	364.53	8.78	-72.06
CC(NC(=O)NCCC[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909296	0	54	0.0	-78.10	398.34	7.68	-70.42
CC(NC(=O)NC1CC[NH+](CC2CCCO2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909301	0	62	0.0	-74.14	445.64	7.63	-66.51
CC(NC(=O)NCC[NH+]1CC2=CC=CC=C2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909329	1	55	0.0	-79.93	413.16	8.61	-71.32
CC(NC(=O)NC1(C)CC[N@H+](CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909339	0	61	0.0	-82.35	449.24	10.28	-72.07
CC(NC(=O)NC1(C)CC[N@@H+](CC2=CC=CC=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909339	1	61	0.0	-80.88	448.60	10.23	-70.65
CC(NC(=O)N(C)C1CCC[N@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909358	0	54	0.0	-73.76	388.05	9.05	-64.71
CC(NC(=O)N(C)C1CCC[N@@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909358	1	54	0.0	-77.45	388.04	9.05	-68.40
CC(NC(=O)N1CC[NH+](C2CCCC2O)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909365	0	59	0.0	-77.67	418.91	7.14	-70.53
CC[N@@H+]1CCOC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013909382	1	55	0.0	-78.92	403.38	5.67	-73.25
CC[N@H+]1CCOC(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013909382	1	55	0.0	-75.02	399.64	5.62	-69.40
CC(NC(=O)NCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909385	0	55	0.0	-80.44	401.41	3.83	-76.61
CC(CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[NH+](C)C	REAL300013909390	0	53	0.0	-78.08	383.73	6.48	-71.60
CC(NC(=O)NC1CCCCC1[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909394	0	57	0.0	-77.58	401.87	7.96	-69.62
CC(NC(=O)N1CCC([N@@H+]2CCC(O)C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909425	0	59	0.0	-82.46	422.49	6.43	-76.03
CC(NC(=O)N1CCC([N@H+]2CCC(O)C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909425	1	59	0.0	-82.85	421.06	6.33	-76.52
CC(NC(=O)NCC1([NH+](C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909446	0	51	0.0	-75.36	377.71	7.37	-67.99
CC(NC(=O)NC1CC[N@H+](C)C1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909449	0	51	0.0	-76.07	369.97	6.99	-69.08
CC(NC(=O)NC1CC[N@@H+](C)C1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909449	1	51	0.0	-76.89	372.89	6.84	-70.05
CC(NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909455	0	52	0.0	-83.45	373.07	7.95	-75.50
CC(NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909455	1	52	0.0	-82.70	375.04	8.07	-74.63
CC(NC(=O)N1CC2CCCC[N@@H+]2CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909478	0	58	0.0	-75.06	406.59	9.93	-65.13
CC(NC(=O)N1CC2CCCC[N@H+]2CC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909478	1	58	0.0	-77.39	407.70	9.87	-67.52
CC(NC(=O)N1CCCC([NH+]2CCOCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909506	0	62	0.0	-84.40	427.16	8.77	-75.63
CC(NC(=O)NCC[N@@H+]1CCC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909514	0	54	0.0	-76.64	397.99	7.25	-69.39
CC(NC(=O)NCC[N@H+]1CCC(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909514	1	54	0.0	-74.80	396.08	7.20	-67.60
CC(NC(=O)NCC[N@@H+]1CCCC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909515	0	54	0.0	-74.67	391.44	6.93	-67.74
CC(NC(=O)NCC[N@H+]1CCCC1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909515	1	54	0.0	-74.27	387.93	6.74	-67.53
CC(NC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909517	1	61	0.0	-79.38	439.15	11.30	-68.08
CC(NC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909517	1	61	0.0	-81.90	438.30	11.92	-69.98
CC[NH+](CC)CC1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013909518	0	60	0.0	-75.98	418.50	9.22	-66.76
COCC(COC)[NH+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013909529	1	62	0.0	-76.04	444.71	8.20	-67.84
CC(NC(=O)NCCN(C)CCC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909540	0	61	0.0	-79.41	443.12	5.71	-73.70
CC(NC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909541	1	55	0.0	-87.84	402.33	8.76	-79.08
CC(NC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909541	1	55	0.0	-82.79	406.34	8.82	-73.97
CCN(C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC[N@H+](CC)C1	REAL300013909570	0	57	0.0	-61.91	407.80	10.04	-51.87
CCN(C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC[N@@H+](CC)C1	REAL300013909570	1	57	0.0	-62.17	404.55	9.54	-52.63
CC(NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909583	0	58	0.0	-81.07	424.37	7.76	-73.31
CCC[N@H+](C)CC(C)(C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909614	0	59	0.0	-79.92	411.37	8.87	-71.05
CCC[N@@H+](C)CC(C)(C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909614	1	59	0.0	-76.99	411.48	8.92	-68.07
CC(NC(=O)N1CCCC([NH2+]C2CCOCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909621	0	62	0.0	-79.74	440.18	7.73	-72.01
CC(NC(=O)NCC1CCC[N@H+](CC2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909631	0	61	0.0	-76.33	444.31	9.63	-66.70
CC(NC(=O)NCC1CCC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909631	1	61	0.0	-77.77	444.50	9.61	-68.16
CCCN(C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC[N@H+](C)C1	REAL300013909636	0	57	0.0	-65.64	406.46	9.59	-56.05
CCCN(C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC[N@@H+](C)C1	REAL300013909636	1	57	0.0	-65.91	409.74	9.84	-56.07
CCN(C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC[N@H+](C)C1	REAL300013909637	0	54	0.0	-62.54	388.06	9.29	-53.25
CCN(C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC[N@@H+](C)C1	REAL300013909637	1	54	0.0	-62.44	385.12	8.83	-53.61
COC(=O)C1CN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC[N@H+](C)C1	REAL300013909661	0	57	0.0	-78.23	412.17	8.82	-69.41
COC(=O)C1CN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC[N@@H+](C)C1	REAL300013909661	1	57	0.0	-78.58	414.35	9.13	-69.45
CC(C)[NH+]1CCN(C2CCN(C(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)C2)CC1	REAL300013909666	0	66	0.0	-77.14	461.04	8.16	-68.98
CC(NC(=O)N1CCC2C1CCC[N@@H+]2C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909689	0	55	0.0	-80.65	383.15	8.17	-72.48
CC(NC(=O)N1CCC2C1CCC[N@H+]2C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909689	1	55	0.0	-81.05	383.61	8.51	-72.54
CC(NC(=O)NCC1CCCC[N@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909698	0	57	0.0	-76.85	401.98	7.83	-69.02
CC(NC(=O)NCC1CCCC[N@@H+](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909698	1	57	0.0	-78.15	405.75	8.16	-69.99
CC(NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909699	0	55	0.0	-85.82	385.90	8.78	-77.04
CC(NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909699	1	55	0.0	-72.35	383.85	8.51	-63.84
COCC[N@H+]1[C@H](C)CN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C[C@@H]1C	REAL300013909742	0	61	0.0	-72.38	424.83	8.35	-64.03
COCC[N@@H+]1[C@H](C)CN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C[C@@H]1C	REAL300013909742	1	61	0.0	-77.45	425.96	7.74	-69.71
CC(NC(=O)N1CN(CC[NH+](C)C)C(=O)C1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909806	0	58	0.0	-85.73	431.02	8.19	-77.54
CC(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909807	0	64	0.0	-76.23	464.03	6.78	-69.45
CC(NC(=O)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909813	0	57	0.0	-78.08	443.76	8.61	-69.47
CC(NC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909853	1	58	0.0	-71.88	414.12	9.60	-62.28
CC(NC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909854	1	58	0.0	-78.19	418.28	9.41	-68.78
CC(NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909864	0	58	0.0	-79.68	433.86	4.16	-75.52
CC(NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909864	1	58	0.0	-84.62	426.30	3.68	-80.94
CC(NC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1C1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909871	0	61	0.0	-85.96	453.16	9.92	-76.04
CC(NC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1C1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909871	1	61	0.0	-84.31	451.07	9.96	-74.35
CC(NC(=O)N1CCN2N=CC(C[NH+](C)C)=C2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909913	0	58	0.0	-84.62	428.87	8.44	-76.18
CC(NC(=O)N[C@@H]1C[N@H+](C)C[C@H]1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909945	0	49	0.0	-83.45	368.32	2.66	-80.79
CC(NC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909945	1	49	0.0	-83.51	365.61	2.61	-80.90
CC(NC(=O)NC1CCC2C[N@H+](C)CC21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909955	0	55	0.0	-78.10	398.48	7.66	-70.44
CC(NC(=O)NC1CCC2C[N@@H+](C)CC21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013909955	1	55	0.0	-80.68	398.30	7.67	-73.01
CC1=[NH+]C=C2CN(C(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CCN21	REAL300013909985	1	50	0.0	-74.36	370.37	8.36	-66.00
CC(NC(=O)N1CC23C[NH+](C)CC2(C1)CCCC3)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910002	0	62	0.0	-87.50	432.34	9.95	-77.55
CC(NC(=O)NCC1=CC=C(C[NH+](C)C)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910048	0	54	0.0	-80.21	419.78	8.21	-72.00
CC(NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910109	0	59	0.0	-78.71	420.19	7.19	-71.52
CC[NH+](CC)CCC(C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910117	0	59	0.0	-75.30	428.81	8.93	-66.37
CC(NC(=O)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910154	0	62	0.0	-65.16	437.24	10.39	-54.77
CC(NC(=O)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910154	1	62	0.0	-66.55	448.80	12.12	-54.43
CC(NC(=O)N(C)[C@@H]1C[N@H+](C)C[C@H]1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910155	0	52	0.0	-80.67	377.28	4.48	-76.19
CC(NC(=O)N(C)[C@@H]1C[N@@H+](C)C[C@H]1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910155	1	52	0.0	-83.10	376.32	4.73	-78.37
COC(=O)C1CC([NH+](C)C)CN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013910181	0	60	0.0	-77.20	435.40	9.06	-68.14
CC(NC(=O)N1CCC(C)([NH+]2CCOCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910188	1	59	0.0	-78.62	418.65	7.89	-70.73
CC(NC(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910199	0	60	0.0	-79.66	441.97	11.65	-68.01
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910201	0	52	0.0	-80.45	389.64	5.34	-75.11
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910201	1	52	0.0	-77.92	390.21	5.35	-72.57
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910208	0	52	0.0	-79.44	375.14	8.22	-71.22
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910208	1	52	0.0	-78.23	376.93	8.79	-69.44
CCC[NH+](CCC)CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910263	0	59	0.0	-76.43	427.57	8.17	-68.26
CC(NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910273	0	58	0.0	-80.57	433.72	10.06	-70.51
CC(NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910273	1	58	0.0	-80.05	425.75	8.94	-71.11
CC[N@H+](C)C1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013910275	0	54	0.0	-78.45	392.28	8.43	-70.02
CC[N@@H+](C)C1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013910275	1	54	0.0	-76.18	389.28	8.39	-67.79
CC[N@H+](C)CC1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013910291	0	60	0.0	-84.16	424.29	10.23	-73.93
CC[N@@H+](C)CC1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013910291	1	60	0.0	-79.21	423.61	10.34	-68.87
CC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910327	0	58	0.0	-73.59	403.70	7.94	-65.65
CC(NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910327	1	58	0.0	-76.78	403.06	7.85	-68.93
CC(NC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910399	0	58	0.0	-104.67	439.29	6.67	-98.00
CC(NC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910399	1	58	0.0	-98.02	435.92	6.15	-91.87
CC(NC(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910406	1	57	0.0	-78.01	417.64	9.00	-69.01
CC(NC(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910430	1	57	0.0	-78.01	417.64	9.00	-69.01
CCC[N@@H+]1CCCCC1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910432	0	60	0.0	-75.10	427.16	9.01	-66.09
CCC[N@H+]1CCCCC1CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910432	1	60	0.0	-71.52	426.00	9.08	-62.44
CC(NC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910482	1	59	0.0	-79.20	413.44	7.88	-71.32
CC1=[NH+]C=C(CNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(N)=N1	REAL300013910497	1	49	0.0	-72.89	377.02	4.25	-68.64
CC(NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(F)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910520	0	58	0.0	-81.93	436.80	9.57	-72.36
CC(NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=C(F)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910520	1	58	0.0	-82.23	427.21	8.85	-73.38
CC(NC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910550	0	59	0.0	-73.30	421.92	9.06	-64.24
CC1=C[NH+]=CC=C1N1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013910564	0	57	0.0	-79.89	422.47	8.54	-71.35
CCCC1=[NH+]C=CN1CCCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910620	1	58	0.0	-73.34	435.96	8.88	-64.46
C=CC[N@H+]1CCCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013910641	0	55	0.0	-76.39	392.36	9.79	-66.60
C=CC[N@@H+]1CCCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013910641	1	55	0.0	-80.63	392.31	9.82	-70.81
CC(NC(=O)N1CC23CCCC2(C1)C[NH+](C)C3)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910647	0	59	0.0	-84.42	415.70	9.36	-75.06
CC(NC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910656	0	58	0.0	-75.35	439.05	9.11	-66.24
CC(NC(=O)N1CC[N@H+](C2CC2)C(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910686	1	55	0.0	-76.74	394.96	9.13	-67.61
CC(NC(=O)N1CC[N@@H+](C2CC2)C(C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910686	1	55	0.0	-73.74	392.01	9.49	-64.25
CC(NC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910733	0	55	0.0	-78.82	402.31	5.52	-73.30
CC(NC(=O)NCCCCCC[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910735	0	59	0.0	-78.61	434.20	8.42	-70.19
CC(NC(=O)NC1C[N@H+](C)C2(CCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910737	0	55	0.0	-68.65	392.72	7.22	-61.43
CC(NC(=O)NC1C[N@@H+](C)C2(CCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910737	1	55	0.0	-69.06	395.33	7.29	-61.77
CC(NC(=O)N1CCCCC([NH+](C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910766	0	57	0.0	-84.60	398.88	9.99	-74.61
CC(NC(=O)NCCCN1C=[NH+]C2=C1CCCC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910775	1	59	0.0	-75.38	440.48	10.13	-65.25
CC(NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910781	0	52	0.0	-71.08	371.19	7.94	-63.14
CC(NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910781	1	52	0.0	-71.66	374.23	8.14	-63.52
CC(NC(=O)N[C@@H]1COC[C@H]1[NH+](C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910782	0	52	0.0	-79.63	381.60	4.78	-74.85
CC(NC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910798	0	61	0.0	-77.47	434.96	9.54	-67.93
CC(NC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910798	1	61	0.0	-77.79	427.87	9.60	-68.19
CC(NC(=O)NC1CC2CC1C[N@@H+]2C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910815	0	52	0.0	-78.33	375.18	7.56	-70.77
CC(NC(=O)NC1CC2CC1C[N@H+]2C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910815	1	52	0.0	-76.33	377.38	7.04	-69.29
CCC1=[NH+]C=CN1CC(C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910834	1	55	0.0	-75.38	416.53	8.64	-66.74
CC[N@@H+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC12CCOC2	REAL300013910934	1	59	0.0	-76.22	407.76	7.52	-68.70
CC[N@H+]1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC12CCOC2	REAL300013910934	1	59	0.0	-76.37	403.39	7.14	-69.23
CC(NC(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013910969	0	56	0.0	-77.67	400.91	5.52	-72.15
CC(NC(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911033	0	57	0.0	-73.51	418.88	8.01	-65.50
CC(NC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911043	0	60	0.0	-74.50	422.20	8.10	-66.40
CC(NC(=O)NC1CCC[N@H+](C(C)(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911043	1	60	0.0	-73.08	419.29	8.01	-65.07
CC(NC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911086	1	56	0.0	-71.10	425.23	8.43	-62.67
CC(NC(=O)NC1C[N@H+](C)C2(CCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911087	0	58	0.0	-71.38	411.77	8.41	-62.97
CC(NC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911087	1	58	0.0	-72.47	408.93	7.80	-64.67
CC(NC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911123	0	59	0.0	-70.81	417.26	6.57	-64.24
CC(NC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911123	1	59	0.0	-71.47	417.55	6.32	-65.15
CC(NC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911146	1	62	0.0	-81.40	430.77	9.14	-72.26
CC1=CC=C(C[NH+]2CCN(C(=O)NC(C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CC2)C=C1	REAL300013911150	1	61	0.0	-82.34	447.87	11.71	-70.63
CC(NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911161	0	58	0.0	-77.94	402.95	6.06	-71.88
CC(NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911161	1	58	0.0	-76.06	409.93	6.24	-69.82
CC(C)[N@H+](C)C1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013911175	0	60	0.0	-79.93	415.48	9.53	-70.40
CC(C)[N@@H+](C)C1CCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013911175	1	60	0.0	-77.45	415.07	9.56	-67.89
CC(NC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911179	0	64	0.0	-73.49	448.41	9.92	-63.57
CC(NC(=O)NCC1CCC[N@H+](C2CCCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911179	1	64	0.0	-76.96	455.31	9.94	-67.02
CC(NC(=O)N1CCOC(CC[NH+](C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911191	0	58	0.0	-82.45	419.23	7.99	-74.46
CC(CNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1=CC=C(N(C)C)[NH+]=C1	REAL300013911221	1	59	0.0	-72.34	438.83	8.57	-63.77
CC(NC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911224	1	62	0.0	-67.80	451.35	8.99	-58.81
CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911244	1	53	0.0	-70.44	393.47	8.63	-61.81
CCCC1=[NH+]C=CN1C1CCCN(C(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013911318	1	62	0.0	-68.97	455.40	11.59	-57.38
CC(NC(=O)NCC1CCCC2=[NH+]C=CN21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911372	1	53	0.0	-70.44	393.47	8.63	-61.81
CC(NC(=O)N1CCCC[C@H]([NH+](C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911381	0	57	0.0	-77.82	388.76	9.32	-68.50
CC(NC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911450	0	60	0.0	-80.48	453.73	10.18	-70.30
CCC[N@H+](CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C	REAL300013911490	0	59	0.0	-75.04	414.50	7.57	-67.47
CCC[N@@H+](CCNC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C	REAL300013911490	1	59	0.0	-75.35	418.04	8.01	-67.34
CC(NC(=O)NC1CC[N@H+](C)CC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911527	0	57	0.0	-75.69	404.73	8.42	-67.27
CC(NC(=O)NC1CC[N@@H+](C)CC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911527	1	57	0.0	-77.70	404.77	8.42	-69.28
CC(NC(=O)N[C@@H](C)C[NH+]1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911528	0	54	0.0	-73.55	392.06	7.59	-65.96
CC(NC(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911543	0	65	0.0	-83.45	459.15	9.52	-73.93
CC(NC(=O)N1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013911543	1	65	0.0	-80.69	448.91	9.40	-71.29
CC1(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1(F)Cl	REAL300013911574	1	45	0.0	-42.64	362.10	6.44	-36.20
CC1=CC=C2CCC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=C1	REAL300013911694	1	49	0.0	-35.47	377.93	8.20	-27.27
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H](C3=CC=NC=C3)C2)CC1	REAL300013911766	1	52	0.0	-42.16	400.93	5.61	-36.55
CC1=[NH+]C=CN1CCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013911820	1	49	0.0	-62.73	393.33	8.39	-54.34
CC(CNC(=O)NC1CC[NH+](CC2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013911823	0	55	0.0	-67.00	417.04	9.53	-57.47
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCC1	REAL300013911826	0	54	0.0	-63.04	403.01	8.93	-54.11
CC(CNC(=O)N1CC[NH+](CC2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013911829	0	52	0.0	-66.69	389.42	10.00	-56.69
CCCC[N@H+](C)CC1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013911834	0	63	0.0	-70.76	454.36	12.59	-58.17
CCCC[N@@H+](C)CC1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013911834	1	63	0.0	-72.24	459.82	12.37	-59.87
CC1=CC=C(CN(CC[NH+](C)C)C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300013911837	0	57	0.0	-63.88	446.74	11.44	-52.44
CC(C)[N@H+](C)CC1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013911838	0	60	0.0	-69.94	433.49	11.37	-58.57
CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013911838	1	60	0.0	-68.91	428.01	11.57	-57.34
CC[NH+](CC)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300013911843	0	57	0.0	-56.18	430.18	9.14	-47.04
C[N@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300013911846	0	54	0.0	-67.59	421.38	9.64	-57.95
C[N@@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300013911846	1	54	0.0	-67.41	421.34	9.64	-57.77
CC(CNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013911848	1	52	0.0	-68.41	415.12	9.18	-59.23
CC(CNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013911848	1	52	0.0	-66.46	411.22	9.38	-57.08
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013911862	0	57	0.0	-61.48	422.01	9.97	-51.51
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013911862	1	57	0.0	-59.81	425.92	9.77	-50.04
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013911864	0	63	0.0	-56.22	441.79	10.45	-45.77
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013911865	0	60	0.0	-60.77	446.46	10.26	-50.51
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013911866	0	60	0.0	-56.30	424.99	9.67	-46.63
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013911866	1	60	0.0	-56.37	431.38	9.66	-46.71
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013911867	0	58	0.0	-61.55	439.05	11.22	-50.33
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013911867	1	58	0.0	-65.41	443.38	10.81	-54.60
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013911882	1	52	0.0	-62.38	409.30	9.06	-53.32
CC(C)(C)[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013911902	0	54	0.0	-59.87	389.58	9.43	-50.44
CC(C)(C)CC[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013911906	0	60	0.0	-63.58	431.58	11.36	-52.22
C[NH+](C)CCC1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013911911	0	57	0.0	-71.47	420.75	10.79	-60.68
CCC[N@@H+]1CCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013911922	0	54	0.0	-66.81	411.65	8.66	-58.15
CCC[N@H+]1CCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013911922	1	54	0.0	-66.13	411.44	8.60	-57.53
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013911939	0	58	0.0	-58.86	453.85	9.50	-49.36
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013911942	1	58	0.0	-73.00	441.10	7.62	-65.38
CC(CNC(=O)N1CC[N@@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013911948	0	49	0.0	-61.60	366.04	9.14	-52.46
CC(CNC(=O)N1CC[N@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013911948	1	49	0.0	-61.59	365.92	9.13	-52.46
CCOCC[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013911949	1	55	0.0	-61.94	409.32	9.12	-52.82
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300013911955	0	57	0.0	-62.33	428.17	10.48	-51.85
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300013911955	1	57	0.0	-61.53	427.78	10.45	-51.08
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013911959	0	63	0.0	-56.84	446.23	10.49	-46.35
CCC1CCC[N@H+](C(C)(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013911959	1	63	0.0	-55.67	438.86	10.47	-45.20
CC[N@@H+]1CCCCC1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013911960	0	54	0.0	-58.92	396.50	8.86	-50.06
CC[N@H+]1CCCCC1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013911960	1	54	0.0	-63.55	393.98	8.15	-55.40
CC(CNC(=O)NCCCCC[NH+]1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013911969	0	60	0.0	-69.09	450.41	10.25	-58.84
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300013911974	0	54	0.0	-65.00	415.20	10.82	-54.18
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCCC1	REAL300013911983	0	54	0.0	-60.06	397.08	8.57	-51.49
CC(C)(C)[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013911988	0	57	0.0	-62.55	414.68	8.73	-53.82
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCCC1	REAL300013911989	0	57	0.0	-64.19	419.30	9.70	-54.49
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300013912002	0	57	0.0	-59.56	417.48	9.13	-50.43
CN1CC[N@H+](C)CC1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912020	0	53	0.0	-63.17	386.95	5.60	-57.57
CN1CC[N@@H+](C)CC1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912020	1	53	0.0	-62.56	394.39	6.05	-56.51
CC(C)[NH2+]C1CCCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013912022	0	54	0.0	-67.18	399.05	8.53	-58.65
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912025	1	58	0.0	-61.64	429.85	12.40	-49.24
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912025	1	58	0.0	-61.17	435.51	12.41	-48.76
CC1CCCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)([NH+](C)C)C1	REAL300013912040	0	60	0.0	-60.63	421.29	10.67	-49.96
C[N@@H+]1CCCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013912041	0	48	0.0	-68.09	367.85	7.32	-60.77
C[N@H+]1CCCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013912041	1	48	0.0	-66.08	363.83	7.85	-58.23
CCCC[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912065	0	57	0.0	-66.21	424.60	9.70	-56.51
C[N@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300013912100	0	48	0.0	-60.90	370.08	7.66	-53.24
C[N@@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300013912100	1	48	0.0	-62.55	374.00	7.47	-55.08
CCCC[N@H+](C)CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912105	0	53	0.0	-63.58	401.54	8.45	-55.13
CCCC[N@@H+](C)CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912105	1	53	0.0	-65.43	405.46	8.25	-57.18
CC(CNC(=O)NCC[NH+]1CCSCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912106	1	49	0.0	-67.77	385.47	7.69	-60.08
CN(CC[NH+]1CCCC1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912117	0	51	0.0	-60.46	384.14	9.82	-50.64
CC[NH+]1CCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912158	0	54	0.0	-65.07	401.50	8.87	-56.20
CC([NH2+]C(C)(C)CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300013912171	0	60	0.0	-62.51	449.64	9.79	-52.72
CCC1CCCC[N@@H+]1CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912174	0	57	0.0	-61.96	414.65	8.73	-53.23
CCC1CCCC[N@H+]1CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912174	1	57	0.0	-59.36	417.31	9.24	-50.12
CC(CNC(=O)N1CC[NH+](C2CCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912177	0	52	0.0	-60.52	383.33	10.27	-50.25
CC[N@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300013912191	0	51	0.0	-62.21	393.58	8.14	-54.07
CC[N@@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300013912191	1	51	0.0	-62.17	393.86	8.15	-54.02
CC[N@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013912200	0	53	0.0	-62.76	388.75	7.54	-55.22
CC[N@@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013912200	1	53	0.0	-61.98	392.80	7.60	-54.38
CC1=CC=C(C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+]2CCCC2)O1	REAL300013912211	0	58	0.0	-55.03	438.07	10.02	-45.01
COCCC[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912225	0	58	0.0	-68.26	436.32	7.98	-60.28
COCC[N@H+](C)CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912227	0	51	0.0	-63.17	391.13	6.08	-57.09
COCC[N@@H+](C)CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912227	1	51	0.0	-65.26	395.05	5.90	-59.36
CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912232	0	57	0.0	-67.01	416.06	10.97	-56.04
CCC(C)[N@H+](C)CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912234	0	53	0.0	-60.61	389.83	8.05	-52.56
CCC(C)[N@@H+](C)CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912234	1	53	0.0	-62.37	394.25	7.83	-54.54
CC(CNC(=O)N1CCC([NH+]2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912235	0	52	0.0	-65.00	389.84	9.82	-55.18
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912245	0	60	0.0	-74.15	457.88	12.86	-61.29
CC(CNC(=O)N1CCCC1C[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912252	0	55	0.0	-59.89	409.89	10.40	-49.49
CC(C)[N@@H+]1CCCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912266	0	54	0.0	-59.61	386.03	10.69	-48.92
CC(C)[N@H+]1CCCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912266	1	54	0.0	-63.88	389.60	10.30	-53.58
CCC[NH+](CCC)CCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912273	0	59	0.0	-64.45	436.31	9.54	-54.91
C[NH+](C)C1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013912286	0	48	0.0	-69.39	367.15	8.39	-61.00
C[NH+]1CCC(CCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912348	0	54	0.0	-67.17	404.07	8.76	-58.41
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013912363	0	58	0.0	-63.35	435.19	10.72	-52.63
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013912363	1	58	0.0	-60.25	430.04	10.91	-49.34
CC(CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912379	0	61	0.0	-64.65	440.72	12.04	-52.61
CN(CC1CC[NH+](C)CC1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912391	0	54	0.0	-65.21	397.35	10.36	-54.85
CC(C)(C)[N@@H+]1CCCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912427	0	57	0.0	-60.29	401.32	10.86	-49.43
CC(C)(C)[N@H+]1CCCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912427	1	57	0.0	-61.40	405.35	10.69	-50.71
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CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013912437	1	57	0.0	-65.66	442.77	10.33	-55.33
CC(CNC(=O)N1CCC[N@@H+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912441	0	52	0.0	-61.24	386.68	10.75	-50.49
CC(CNC(=O)N1CCC[N@H+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912441	1	52	0.0	-55.70	386.58	10.71	-44.99
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CC(CNC(=O)NCC1C[N@@H+]2CCCC2CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912445	0	53	0.0	-65.45	398.64	7.07	-58.38
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CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)C1CC1	REAL300013912447	0	51	0.0	-58.96	385.22	8.04	-50.92
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)C1CC1	REAL300013912447	1	51	0.0	-56.58	385.31	8.03	-48.55
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CC(CNC(=O)N1CCCC1C[NH+]1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912451	0	58	0.0	-61.52	420.84	10.96	-50.56
CC(C)[N@@H+]1CCCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013912453	0	57	0.0	-61.61	411.24	9.35	-52.26
CC(C)[N@H+]1CCCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013912453	1	57	0.0	-64.91	422.02	9.18	-55.73
CC(CNC(=O)N1CC[N@@H+]2CCCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912454	0	52	0.0	-60.90	383.99	9.73	-51.17
CC(CNC(=O)N1CC[N@H+]2CCCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912454	1	52	0.0	-60.91	378.56	9.94	-50.97
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912456	0	57	0.0	-67.93	437.86	12.27	-55.66
CC[NH+](CC)CCN(CCOC)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912462	0	60	0.0	-56.72	451.24	9.99	-46.73
COCCN(CC[NH+](C)C)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912463	0	54	0.0	-59.43	415.53	8.64	-50.79
C[N@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300013912470	0	54	0.0	-62.04	400.91	8.82	-53.22
C[N@@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300013912470	1	54	0.0	-61.59	400.89	8.84	-52.75
CC(CNC(=O)NC1CC[N@@H+]2CCCCC12)(C(=O)[O-])C1=CC=CC=C1	REAL300013912480	0	52	0.0	-60.71	386.86	8.66	-52.05
CC(CNC(=O)NC1CC[N@H+]2CCCCC12)(C(=O)[O-])C1=CC=CC=C1	REAL300013912480	1	52	0.0	-61.79	386.84	8.66	-53.13
CC(CNC(=O)N1CCCC([NH+]2CCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912488	0	55	0.0	-64.49	404.37	10.38	-54.11
CC1=[NH+]C=CN1CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912503	1	46	0.0	-58.12	367.69	7.74	-50.38
CC(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912525	0	59	0.0	-60.58	421.60	7.58	-53.00
C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912540	0	55	0.0	-65.98	419.71	9.18	-56.80
C=CC[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912546	0	52	0.0	-66.93	398.76	8.56	-58.37
CC[NH+]1CCN(C2CCN(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)C2)CC1	REAL300013912588	0	60	0.0	-71.90	442.93	8.50	-63.40
CC(CN1CC[NH+](C)CC1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912593	0	56	0.0	-67.88	423.22	6.53	-61.35
CC(C[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912593	1	56	0.0	-57.63	417.74	6.83	-50.80
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CC1CCCC(C)[NH+]1CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912610	0	57	0.0	-57.13	408.93	8.73	-48.40
CC(CNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912622	0	57	0.0	-76.10	439.02	9.08	-67.02
CC[NH+](CC)C1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912627	0	57	0.0	-64.56	402.15	10.52	-54.04
CC1=CC=C(C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300013912667	0	57	0.0	-62.90	434.73	11.34	-51.56
COCC[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912681	0	55	0.0	-66.24	418.13	7.16	-59.08
CC(CNC(=O)N1CCCC([NH+]2CCCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912689	0	58	0.0	-59.87	414.82	11.26	-48.61
COC1CC[NH+](C(C)(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912690	0	61	0.0	-60.35	443.59	8.06	-52.29
CC(CNC(=O)N1CCC([NH+]2CCCCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912693	0	55	0.0	-66.36	408.56	10.25	-56.11
COCC[NH+]1CCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912696	0	58	0.0	-67.99	438.01	7.85	-60.14
CC(CNC(=O)NC1CC[N@H+](CC2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912701	0	52	0.0	-65.19	401.65	8.93	-56.26
CC(CNC(=O)NC1CC[N@@H+](CC2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912701	1	52	0.0	-62.23	395.28	9.14	-53.09
CCCC[N@@H+]1CCCCC1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912706	0	60	0.0	-58.13	432.29	10.06	-48.07
CCCC[N@H+]1CCCCC1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912706	1	60	0.0	-59.87	436.23	9.86	-50.01
CC(CNC(=O)NC1CC[NH+](CC2CCOC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912760	0	59	0.0	-70.21	436.46	8.25	-61.96
CC(CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912765	0	59	0.0	-63.13	426.43	9.86	-53.27
CN1CC[NH+](CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912774	0	59	0.0	-69.19	445.83	6.94	-62.25
C[NH+]1CCN(CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912774	1	59	0.0	-70.31	446.23	7.07	-63.24
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912782	1	58	0.0	-61.74	429.88	12.41	-49.33
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912782	1	58	0.0	-68.70	435.52	12.42	-56.28
CC[NH+](CC)CC(C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912796	0	53	0.0	-53.62	391.33	9.14	-44.48
CC[N@@H+]1CCC2CCC(C1)N2C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912813	0	55	0.0	-54.39	395.40	10.72	-43.67
CC[N@H+]1CCC2CCC(C1)N2C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912813	1	55	0.0	-51.70	391.62	10.92	-40.78
C[NH+](C)CCN(CC1=CC=CS1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912827	0	54	0.0	-61.29	423.49	11.67	-49.62
C[NH+]1CCC2(CCCN2C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013912856	0	55	0.0	-50.59	389.44	9.60	-40.99
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912868	0	58	0.0	-60.32	422.97	8.16	-52.16
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912868	1	58	0.0	-57.56	417.31	7.96	-49.60
CC(CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912883	0	59	0.0	-64.57	426.78	9.84	-54.73
C[N@@H+]1CC[C@@H]2CN(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)C[C@@H]21	REAL300013912905	0	49	0.0	-68.37	360.98	8.54	-59.83
C[N@H+]1CC[C@@H]2CN(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)C[C@@H]21	REAL300013912905	1	49	0.0	-66.18	364.87	9.00	-57.18
C[NH+](C)CCCC(C)(C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912912	0	56	0.0	-69.74	410.12	8.69	-61.05
C[C@@H]1CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C[C@H](C)[N@H+]1CCO	REAL300013912919	0	55	0.0	-59.02	396.34	6.50	-52.52
C[C@@H]1CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C[C@H](C)[N@@H+]1CCO	REAL300013912919	1	55	0.0	-62.38	396.99	5.94	-56.44
C[NH+]1C2CCC1CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C2	REAL300013912942	0	52	0.0	-67.92	373.73	9.35	-58.57
CCC1C[N@H+](CC)CCN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912944	0	54	0.0	-64.24	396.71	10.44	-53.80
CCC1C[N@@H+](CC)CCN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912944	1	54	0.0	-61.00	391.45	10.66	-50.34
C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912945	0	63	0.0	-62.34	457.42	12.26	-50.08
C[NH+](C)CCCCCCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912946	0	59	0.0	-70.96	452.21	9.96	-61.00
CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300013912947	0	54	0.0	-68.27	395.39	8.67	-59.60
COCC[N@@H+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013912948	0	52	0.0	-64.65	399.37	6.73	-57.92
COCC[N@H+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013912948	1	52	0.0	-61.50	395.98	6.71	-54.79
CC(CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912959	0	59	0.0	-59.91	417.98	9.88	-50.03
CC(CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912959	1	59	0.0	-63.38	421.74	9.77	-53.61
CC(CNC(=O)N1CCCC([NH+]2CCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912963	0	58	0.0	-58.37	418.04	11.38	-46.99
CC(CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912968	0	58	0.0	-55.58	416.51	11.79	-43.79
CC(CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013912968	1	58	0.0	-53.33	413.02	12.00	-41.33
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCOCC1	REAL300013912974	1	55	0.0	-67.65	410.70	7.32	-60.33
CC1CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1C1CC1	REAL300013912983	0	52	0.0	-61.90	395.54	8.28	-53.62
CC1CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1C1CC1	REAL300013912983	1	52	0.0	-59.69	395.29	8.75	-50.94
CC1C[N@H+](C)CCC1N(C)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912987	0	54	0.0	-69.29	395.31	10.55	-58.74
CC1C[N@@H+](C)CCC1N(C)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013912987	1	54	0.0	-67.63	382.93	9.98	-57.65
CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)(C)C[NH+](C)C	REAL300013912988	0	56	0.0	-66.84	401.21	8.97	-57.87
CC1CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC(C)(C)O	REAL300013913048	0	58	0.0	-60.12	423.20	7.80	-52.32
CC1CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC(C)(C)O	REAL300013913048	1	58	0.0	-62.82	412.57	8.23	-54.59
C[NH+](C)C1(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCC1	REAL300013913056	0	51	0.0	-59.05	379.39	7.50	-51.55
CC(CNC(=O)NCC[N@@H+]1CCCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013913065	0	52	0.0	-61.74	385.86	6.51	-55.23
CC(CNC(=O)NCC[N@H+]1CCCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013913065	1	52	0.0	-63.91	383.12	6.31	-57.60
CN(CC1([NH+](C)C)CCC1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913069	0	54	0.0	-45.54	379.90	9.87	-35.67
CC1=[NH+]C=CN1CCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913083	1	49	0.0	-62.73	393.33	8.39	-54.34
CC(CNC(=O)N1CC[NH+]2CCC1CC2)(C(=O)[O-])C1=CC=CC=C1	REAL300013913095	0	49	0.0	-73.45	355.71	9.12	-64.33
C[C@H](O)C[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913096	1	52	0.0	-61.10	386.38	6.45	-54.65
C[C@@H](O)C[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913097	1	52	0.0	-64.36	391.66	6.26	-58.10
CC(O)C[N@@H+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)C1	REAL300013913099	0	55	0.0	-66.91	408.11	7.05	-59.86
CC(O)C[N@H+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)C1	REAL300013913099	1	55	0.0	-60.02	404.22	7.22	-52.80
CC(CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013913100	0	55	0.0	-58.72	395.07	6.65	-52.07
CC(CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013913100	1	55	0.0	-62.47	397.36	6.79	-55.68
CCC(C)[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913133	0	54	0.0	-59.67	386.56	10.05	-49.62
CC(C)C1C[N@H+](C)CCN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913157	0	54	0.0	-61.36	375.38	8.79	-52.57
CC(C)C1C[N@@H+](C)CCN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913157	1	54	0.0	-65.55	374.97	9.01	-56.54
CC(CNC(=O)N1CCC[N@@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013913177	0	52	0.0	-60.20	371.62	10.31	-49.89
CC(CNC(=O)N1CCC[N@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013913177	1	52	0.0	-59.22	371.36	10.84	-48.38
C[N@H+](CCCO)C1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913178	0	58	0.0	-69.88	427.48	7.30	-62.58
C[N@@H+](CCCO)C1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913178	1	58	0.0	-69.91	427.45	7.28	-62.63
C[NH+]1CCC(O)(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913189	0	52	0.0	-69.18	394.01	5.14	-64.04
C[NH+](C)CCN(CC1=CC=CO1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913206	0	54	0.0	-71.69	419.71	10.41	-61.28
CC(CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013913223	0	57	0.0	-69.50	435.72	7.81	-61.69
COC(=O)CC[N@@H+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)C1	REAL300013913254	1	57	0.0	-71.25	430.28	10.04	-61.21
COC(=O)CC[N@H+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)C1	REAL300013913254	1	57	0.0	-71.30	432.22	10.25	-61.05
C[NH+](C)CCC1=CC=C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013913277	0	57	0.0	-74.64	447.53	10.52	-64.12
C[N@@H+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1CC1=CC=CC=C1	REAL300013913314	1	58	0.0	-71.25	432.16	12.34	-58.91
C[N@H+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1CC1=CC=CC=C1	REAL300013913314	1	58	0.0	-71.16	436.65	12.09	-59.07
COC1=CC=C(C(C[NH+](C)C)NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013913317	0	58	0.0	-49.72	439.51	9.56	-40.16
CC[NH+]1CCN(CC(C)(C)NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913336	0	62	0.0	-61.13	448.22	8.91	-52.22
CCN1CC[NH+](CC(C)(C)NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913336	1	62	0.0	-61.06	440.39	8.59	-52.47
CC(C)(C[NH+]1CCCC1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913352	0	54	0.0	-59.44	387.94	8.65	-50.79
CC(C)[N@@H+]1CCC(N(C)C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013913356	0	54	0.0	-62.53	400.58	9.83	-52.70
CC(C)[N@H+]1CCC(N(C)C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013913356	1	54	0.0	-61.05	393.24	9.96	-51.09
C[NH+](C)CCN(CC1CCCO1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913390	0	58	0.0	-71.19	432.87	10.07	-61.12
CC(C)C[N@@H+]1CCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013913411	0	57	0.0	-63.70	423.50	9.53	-54.17
CC(C)C[N@H+]1CCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013913411	1	57	0.0	-66.81	428.77	9.21	-57.60
CC1CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013913427	0	58	0.0	-65.91	440.84	10.43	-55.48
CC1CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C[N@H+]1CC1=CC=CC=C1	REAL300013913427	1	58	0.0	-63.60	444.64	11.08	-52.52
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913432	0	52	0.0	-57.98	391.66	9.21	-48.77
CC1C[N@H+](C2CC2)CC1NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913432	1	52	0.0	-58.19	395.76	8.90	-49.29
C[NH+](C)CCN(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300013913437	0	57	0.0	-68.58	417.82	11.02	-57.56
CCC(C[NH+]1CCCC1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913438	0	54	0.0	-56.97	397.86	8.87	-48.10
C[N@H+]1CC=C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913457	0	49	0.0	-66.87	377.26	7.95	-58.92
C[N@@H+]1CC=C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913457	1	49	0.0	-66.35	376.01	8.07	-58.28
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913462	0	57	0.0	-63.63	436.29	11.12	-52.51
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913462	1	57	0.0	-62.67	436.19	11.08	-51.59
CCN(CCC[NH+](C)C)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913473	0	53	0.0	-64.75	405.65	10.24	-54.51
CCCN(CCC[NH+](C)C)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913480	0	56	0.0	-62.55	423.02	11.09	-51.46
C[NH+](C)CCOCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913481	0	51	0.0	-66.02	399.10	6.31	-59.71
CCN(CCC[NH+](CC)CC)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913486	0	59	0.0	-62.80	441.36	11.60	-51.20
CCN(CCC[NH+]1CCCC1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913488	0	57	0.0	-67.12	427.60	11.28	-55.84
CO[C@H]1C[C@@H](CN(C)C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)[N@H+](C)C1	REAL300013913507	0	55	0.0	-51.04	404.65	9.40	-41.64
CO[C@H]1C[C@@H](CN(C)C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)[N@@H+](C)C1	REAL300013913507	1	55	0.0	-68.35	406.04	8.22	-60.13
CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013913511	0	57	0.0	-56.94	428.39	10.72	-46.22
CC1=CC=CC=C1C(C(C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+](C)C	REAL300013913512	0	60	0.0	-61.98	434.77	11.18	-50.80
C[N@H+](CCCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300013913525	0	54	0.0	-65.79	413.08	9.23	-56.56
C[N@@H+](CCCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300013913525	1	54	0.0	-67.23	416.99	9.02	-58.21
CC1CC(N(C)C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1C	REAL300013913563	0	54	0.0	-68.55	390.30	9.47	-59.08
CC1CC(N(C)C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1C	REAL300013913563	1	54	0.0	-67.77	386.59	9.74	-58.03
CC1=[NH+]C=CN1CCCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913570	1	52	0.0	-62.04	410.69	9.29	-52.75
C[NH+](C)C1(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC2=CC=CC=C2C1	REAL300013913571	0	58	0.0	-61.89	431.39	10.24	-51.65
CC(C)(O)C[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913608	0	55	0.0	-60.72	406.53	7.35	-53.37
CCC(C)[NH2+]C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300013913698	0	57	0.0	-58.08	437.01	8.42	-49.66
C[N@@H+]1CCCC(CCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013913726	0	54	0.0	-71.00	400.33	8.11	-62.89
C[N@H+]1CCCC(CCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013913726	1	54	0.0	-68.89	404.03	8.74	-60.15
C[NH+](C)CCN(CC1=CSC=C1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913730	0	54	0.0	-64.17	422.37	11.52	-52.65
CC1CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1C	REAL300013913775	0	51	0.0	-63.90	371.97	7.67	-56.23
CC1CC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1C	REAL300013913775	1	51	0.0	-67.68	377.55	7.50	-60.18
COCCC[N@H+](C)CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913778	0	54	0.0	-67.82	417.63	6.54	-61.28
COCCC[N@@H+](C)CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913778	1	54	0.0	-65.82	413.72	6.75	-59.07
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCN(C)CC1	REAL300013913789	0	59	0.0	-62.11	435.81	7.13	-54.98
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CN1CC[NH+](C)CC1	REAL300013913789	1	59	0.0	-69.48	438.64	7.53	-61.95
CCN1CC[NH+](CC(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913790	0	62	0.0	-62.05	453.95	7.94	-54.11
CC[NH+]1CCN(CC(C)CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913790	1	62	0.0	-63.26	456.72	8.27	-54.99
CC(C)[NH+]1CCC(O)(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913802	0	58	0.0	-60.57	422.96	6.49	-54.08
CN(CCCN1CC[NH+](C)CC1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913824	0	59	0.0	-68.44	438.17	8.86	-59.58
CN(CCC[NH+]1CCN(C)CC1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913824	1	59	0.0	-61.33	437.82	8.65	-52.68
C[N@@H+]1CCC2C(CCCN2C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013913825	0	55	0.0	-66.42	398.71	10.30	-56.12
C[N@H+]1CCC2C(CCCN2C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013913825	1	55	0.0	-65.78	387.20	10.05	-55.73
C[NH+]1CCC(C)(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913839	0	54	0.0	-65.64	392.72	8.70	-56.94
CC(C)(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C[NH+]1CCCC1	REAL300013913861	0	57	0.0	-65.15	409.97	9.47	-55.68
CC[N@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CCC(F)(F)F	REAL300013913876	0	53	0.0	-69.91	420.08	8.52	-61.39
CC[N@@H+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CCC(F)(F)F	REAL300013913876	1	53	0.0	-70.75	415.57	8.27	-62.48
CCCN(CC[NH+]1CCCC1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913878	0	57	0.0	-59.17	427.71	11.58	-47.59
CC1CC([NH+]2CCCC2)CN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913883	0	55	0.0	-62.26	405.69	10.43	-51.83
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013913886	0	55	0.0	-64.98	424.63	11.51	-53.47
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013913886	1	55	0.0	-68.15	429.82	11.30	-56.85
CN(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC2CCC(C1)[NH+]2C	REAL300013913891	0	55	0.0	-58.27	373.30	8.21	-50.06
CCCN(CC[NH+]1CCCCC1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013913892	0	60	0.0	-63.76	442.82	11.92	-51.84
CCC[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013913918	0	54	0.0	-67.27	407.02	8.73	-58.54
CC(CNC(=O)NC1CCCCC1[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013913949	1	59	0.0	-61.35	425.98	8.24	-53.11
CC1=CC=C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(N2CCCC2)=[NH+]1	REAL300013913986	1	57	0.0	-58.64	432.77	9.45	-49.19
CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC[N@H+](C)CC1	REAL300013913988	0	52	0.0	-65.37	392.10	8.81	-56.56
CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC[N@@H+](C)CC1	REAL300013913988	1	52	0.0	-68.66	392.53	8.89	-59.77
CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCC[N@@H+](C2CCC2)C1	REAL300013913990	0	61	0.0	-63.95	445.94	11.00	-52.95
CC(NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCC[N@H+](C2CCC2)C1	REAL300013913990	1	61	0.0	-52.08	438.91	10.98	-41.10
CC1C[N@H+](CCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCCO1	REAL300013914030	0	58	0.0	-65.67	428.37	8.37	-57.30
CC1C[N@@H+](CCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCCO1	REAL300013914030	1	58	0.0	-68.34	433.38	7.80	-60.54
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013914040	0	54	0.0	-62.74	410.55	8.63	-54.11
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013914040	1	54	0.0	-62.44	404.47	8.22	-54.22
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013914049	0	57	0.0	-67.26	442.93	11.09	-56.17
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013914049	1	57	0.0	-65.02	437.96	11.19	-53.83
CC1C([NH+]2CCCC2)CCN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013914065	0	55	0.0	-66.47	407.52	10.15	-56.32
CCN(CC[NH+]1CCCCCC1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013914067	0	60	0.0	-63.00	432.41	11.42	-51.58
CN(CCC1CCCC[N@@H+]1C)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013914072	0	57	0.0	-66.96	421.42	10.78	-56.18
CN(CCC1CCCC[N@H+]1C)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013914072	1	57	0.0	-60.72	421.09	10.78	-49.94
C[N@@H+]1CCCC2CN(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)CCC21	REAL300013914110	0	55	0.0	-68.88	393.04	9.80	-59.08
C[N@H+]1CCCC2CN(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)CCC21	REAL300013914110	1	55	0.0	-67.19	393.11	9.83	-57.36
CC(CNC(=O)N1CC[NH+](C2CCCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013914120	0	58	0.0	-61.48	409.63	11.05	-50.43
CC1=CC=[NH+]C(N2CCN(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)CC2)=C1	REAL300013914122	1	54	0.0	-56.87	412.23	9.54	-47.33
CC(CNC(=O)NNC1=[NH+]N=CC(N)=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300013914130	0	42	0.0	-50.88	352.27	4.57	-46.31
CC(CNC(=O)NCC1CCCC[N@@H+]1C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013914181	0	55	0.0	-59.37	402.59	9.16	-50.21
CC(CNC(=O)NCC1CCCC[N@H+]1C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013914181	1	55	0.0	-60.22	403.56	9.11	-51.11
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CC[NH+](CC)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CC(C)C	REAL300013915902	0	62	0.0	-56.45	443.93	10.58	-45.87
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013915906	0	58	0.0	-65.49	436.78	11.58	-53.91
CC(CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013915913	0	58	0.0	-64.04	443.36	10.87	-53.17
CC(C)CN(CC[NH+](C)C)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013915932	0	56	0.0	-60.65	416.18	10.85	-49.80
CC(CNC(=O)N1CCC([NH+]2CCCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013915935	0	58	0.0	-65.30	409.53	11.09	-54.21
CC(CNC(=O)N1CC[NH+](C2CCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013915943	0	55	0.0	-63.71	398.27	10.32	-53.39
CC(C)[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013915944	0	51	0.0	-60.81	376.92	9.23	-51.58
CC(CNC(=O)N1CCC([NH+]2CCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013915948	0	55	0.0	-65.17	404.08	10.38	-54.79
C[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013915957	1	45	0.0	-65.27	342.66	8.06	-57.21
CC[NH+](CC)CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013915960	0	50	0.0	-63.54	375.96	7.14	-56.40
CC[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013915965	1	48	0.0	-62.45	354.40	8.91	-53.54
CC(CNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013915972	1	55	0.0	-65.20	419.11	11.64	-53.56
CC(CNC(=O)NCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013915992	1	52	0.0	-69.47	399.13	6.31	-63.16
C[NH+](C)CCN1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916008	0	59	0.0	-69.65	435.82	6.96	-62.69
CN(C)CC[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916008	1	59	0.0	-67.90	440.96	6.78	-61.12
CC(CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916009	0	57	0.0	-67.93	439.99	9.07	-58.86
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013916011	0	60	0.0	-55.59	453.15	11.09	-44.50
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013916011	1	60	0.0	-49.80	449.64	11.66	-38.14
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013916012	0	58	0.0	-71.40	451.01	9.65	-61.75
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013916013	0	58	0.0	-69.88	454.92	9.46	-60.42
CC(CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916015	1	54	0.0	-55.78	415.22	8.04	-47.74
CC(CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916016	1	55	0.0	-62.82	429.29	6.31	-56.51
CC(CNC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916020	0	58	0.0	-67.71	444.42	10.90	-56.81
CC[NH+](CC)CCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013916047	0	53	0.0	-63.33	397.78	8.34	-54.99
CCN(CC)C1=CC=C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300013916064	1	56	0.0	-57.39	440.17	9.83	-47.56
CC(CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916065	1	57	0.0	-56.26	434.01	8.76	-47.50
CC(CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916082	1	55	0.0	-66.55	431.93	6.59	-59.96
CC(CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916083	0	58	0.0	-65.14	447.68	11.08	-54.06
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013916084	0	60	0.0	-64.58	457.32	11.24	-53.34
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013916093	0	60	0.0	-63.81	465.56	13.25	-50.56
C[NH+]1CCN(C(=O)CCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916126	1	55	0.0	-81.92	424.46	6.91	-75.01
CC(C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(C)CC1	REAL300013916128	0	63	0.0	-60.70	447.21	11.28	-49.42
CC[NH+](CC)C(C)CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013916130	0	53	0.0	-57.22	386.87	8.05	-49.17
CC(CNC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916131	0	55	0.0	-67.90	424.55	10.07	-57.83
CC(CNC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916131	1	55	0.0	-68.03	424.56	10.07	-57.96
CN(C)C1=CC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=[NH+]1	REAL300013916133	0	50	0.0	-58.66	392.69	8.15	-50.51
CN(C)C1=CC=C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=[NH+]1	REAL300013916134	1	50	0.0	-58.22	397.52	7.94	-50.28
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300013916135	0	60	0.0	-62.81	425.05	10.78	-52.03
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CSC=C1	REAL300013916137	0	51	0.0	-63.07	403.59	8.86	-54.21
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1CCCC(C)C1	REAL300013916138	0	57	0.0	-55.68	412.55	9.39	-46.29
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1CCCC(C)C1	REAL300013916138	1	57	0.0	-60.86	419.26	9.47	-51.39
CC1CC[NH+](CCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916139	0	54	0.0	-64.27	406.75	8.51	-55.76
C[N@H+](CCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300013916140	0	60	0.0	-65.49	438.37	10.10	-55.39
C[N@@H+](CCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300013916140	1	60	0.0	-67.54	442.27	9.88	-57.66
CC1CC(C)C[NH+](CCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013916142	0	60	0.0	-65.34	445.61	10.11	-55.23
CC(CNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916143	0	58	0.0	-71.40	446.06	10.86	-60.54
CC(CNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916143	1	58	0.0	-69.62	442.15	11.06	-58.56
CC(C[NH+]1CCCCC1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013916144	0	54	0.0	-60.09	404.78	9.09	-51.00
CC(CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916145	0	58	0.0	-58.37	447.76	11.74	-46.63
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300013916148	0	54	0.0	-62.46	411.94	9.88	-52.58
CC(C)[NH+](CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013916149	0	56	0.0	-57.74	401.92	8.17	-49.57
CC(CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916164	0	59	0.0	-71.33	432.03	9.65	-61.68
C[NH+](C)CC1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916165	0	54	0.0	-71.34	393.54	10.43	-60.91
C[NH+](C)C1(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCCCC1	REAL300013916195	0	57	0.0	-61.40	394.70	9.79	-51.61
CC1CC[NH+](CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916196	0	60	0.0	-67.32	445.84	10.29	-57.03
CC1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013916197	0	60	0.0	-64.86	442.13	10.18	-54.68
CC1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013916197	1	60	0.0	-65.44	435.38	9.86	-55.58
CC1CCC[N@H+](CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013916198	0	60	0.0	-66.78	446.29	10.29	-56.49
CC1CCC[N@@H+](CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013916198	1	60	0.0	-66.81	446.30	10.28	-56.53
CCN1CC[NH+](CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916199	0	62	0.0	-67.60	460.05	7.92	-59.68
CC[NH+]1CCN(CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916199	1	62	0.0	-67.94	458.89	7.78	-60.16
CC1CC(C)C[NH+](CCCCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013916201	0	63	0.0	-67.16	467.11	10.88	-56.28
C=CC[NH+](CC=C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)C	REAL300013916228	0	61	0.0	-55.31	443.35	10.97	-44.34
COC1=CC=C(C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300013916230	0	58	0.0	-66.58	445.38	8.98	-57.60
CC(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916243	0	58	0.0	-58.63	436.81	9.74	-48.89
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CO1	REAL300013916244	1	51	0.0	-57.02	390.97	8.11	-48.91
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CS1	REAL300013916252	0	51	0.0	-61.29	400.34	8.44	-52.85
C[NH+](C)C1(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCCC1	REAL300013916253	0	54	0.0	-61.17	387.02	8.75	-52.42
CC(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916281	0	55	0.0	-57.34	415.56	9.16	-48.18
CC(C)[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916282	0	54	0.0	-63.95	402.16	8.51	-55.44
C[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916283	0	48	0.0	-67.49	367.85	7.32	-60.17
CC(C)(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCCC1	REAL300013916290	0	57	0.0	-53.15	406.75	9.17	-43.98
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300013916298	0	57	0.0	-62.68	429.17	11.04	-51.64
C[NH+](C)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(F)=C1	REAL300013916300	0	54	0.0	-67.53	418.85	9.96	-57.57
CCC1=CC=C(C(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300013916301	0	60	0.0	-62.46	454.87	11.31	-51.15
CC[NH+](CC)C(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300013916302	0	60	0.0	-56.54	438.15	10.97	-45.57
CC(C)C[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916320	0	54	0.0	-61.90	399.04	10.17	-51.73
CC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916324	0	55	0.0	-64.23	420.46	10.36	-53.87
CC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916324	1	55	0.0	-63.89	422.92	10.53	-53.36
CC[NH+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916327	0	51	0.0	-65.18	381.13	8.16	-57.02
CC(CNC(=O)N1CC[NH+](CC2CCCO2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916329	1	56	0.0	-61.91	410.92	9.37	-52.54
CC1=CC=CC(C[NH+]2CCN(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)CC2)=C1	REAL300013916334	1	58	0.0	-64.17	435.13	12.53	-51.64
CC1=CC=CC=C1C[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916343	1	58	0.0	-58.96	429.81	12.52	-46.44
C[NH+](C)CC1=CC=CC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300013916355	0	54	0.0	-68.38	425.05	9.69	-58.69
CC(CNC(=O)NC1CC[N@@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916363	0	52	0.0	-60.29	385.57	8.70	-51.59
CC(CNC(=O)NC1CC[N@H+]2CCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916363	1	52	0.0	-64.61	391.07	8.42	-56.19
CC(CNC(=O)NCC1CC[N@@H+](C2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916372	0	52	0.0	-61.69	396.80	8.89	-52.80
CC(CNC(=O)NCC1CC[N@H+](C2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916372	1	52	0.0	-62.55	397.03	8.67	-53.88
C[NH+](C)C1(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCCCCC1	REAL300013916388	0	60	0.0	-60.00	407.64	9.82	-50.18
COCC[N@H+](C)CCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013916411	0	54	0.0	-66.96	416.54	6.69	-60.27
COCC[N@@H+](C)CCCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013916411	1	54	0.0	-67.77	416.56	6.69	-61.08
CC[NH+](CC)CCN(CC(C)C)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013916422	0	62	0.0	-57.95	453.48	12.06	-45.89
CC(C)CC(C[NH+](C)C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013916424	0	56	0.0	-61.85	421.03	9.27	-52.58
CN(CC1CCC[N@@H+]1C)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013916436	0	51	0.0	-61.36	378.00	10.16	-51.20
CN(CC1CCC[N@H+]1C)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013916436	1	51	0.0	-51.47	377.20	9.80	-41.67
C[NH+](C)C1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916443	0	54	0.0	-68.36	398.35	8.68	-59.68
COCC(C)(C)[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916458	0	58	0.0	-61.17	421.17	8.62	-52.55
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)N1C[C@@H](C)O[C@@H](C)C1	REAL300013916499	0	58	0.0	-57.52	426.54	7.84	-49.68
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013916499	1	58	0.0	-59.50	422.72	7.90	-51.60
CC(CNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013916499	1	58	0.0	-59.50	422.72	7.90	-51.60
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013916500	0	51	0.0	-67.50	392.02	8.05	-59.45
CCC(C)(C)[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013916509	0	57	0.0	-58.54	398.37	10.14	-48.40
CC(CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013916515	0	50	0.0	-62.85	373.13	5.24	-57.61
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CC[N@@H+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1(C)C	REAL300013917742	0	54	0.0	-57.32	384.62	9.92	-47.40
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CCN1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+](CC)CC1	REAL300013917913	1	62	0.0	-60.33	423.93	8.89	-51.44
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CCC1CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+](C)C1	REAL300013917945	0	54	0.0	-62.60	394.18	10.39	-52.21
CCC1CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+](C)C1	REAL300013917945	1	54	0.0	-66.89	382.77	10.33	-56.56
CC(CNC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300013917952	0	54	0.0	-64.05	402.18	6.82	-57.23
CC(CNC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300013917952	1	54	0.0	-66.42	406.85	6.69	-59.73
C[C@H](C[NH+](C)C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013917959	0	47	0.0	-59.34	363.57	7.32	-52.02
CC(CC1CCCC[N@@H+]1C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013917964	0	57	0.0	-68.33	416.10	9.08	-59.25
CC(CC1CCCC[N@H+]1C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013917964	1	57	0.0	-60.21	411.81	9.46	-50.75
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300013917967	0	55	0.0	-71.34	435.53	8.63	-62.71
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)C[C@@H]21	REAL300013917975	0	53	0.0	-63.78	389.38	6.01	-57.77
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)C[C@@H]21	REAL300013917975	1	53	0.0	-62.36	384.08	6.51	-55.85
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CC2	REAL300013917986	1	54	0.0	-63.70	414.72	9.63	-54.07
CN(CCC[NH+]1CCOCC1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013917987	1	55	0.0	-67.14	412.57	8.88	-58.26
CN(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300013918016	0	60	0.0	-65.05	427.65	10.78	-54.27
C[N@@H+]1CCCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013918020	0	48	0.0	-58.23	355.97	9.36	-48.87
C[N@H+]1CCCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013918020	1	48	0.0	-63.82	351.78	9.57	-54.25
CC(CNC(=O)NCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013918021	0	51	0.0	-64.97	388.28	8.22	-56.75
CC(CNC(=O)NC1CC[NH+](CC2CCCO2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013918028	0	59	0.0	-63.48	437.66	8.59	-54.89
CC(CNC(=O)NCC[NH+]1CC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013918057	1	52	0.0	-65.82	402.08	9.34	-56.48
CC(CNC(=O)NC1(C)CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013918067	0	58	0.0	-64.66	437.82	10.80	-53.86
CC(CNC(=O)NC1(C)CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013918067	1	58	0.0	-68.49	441.16	10.49	-58.00
CN(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCC[N@H+](C)C1	REAL300013918085	0	51	0.0	-65.77	370.33	9.79	-55.98
CN(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCC[N@@H+](C)C1	REAL300013918085	1	51	0.0	-67.64	380.91	9.37	-58.27
CC(CNC(=O)N1CC[NH+](C2CCCC2O)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013918093	0	56	0.0	-60.19	407.23	7.55	-52.64
CC[N@@H+]1CCOC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013918109	1	52	0.0	-68.52	398.76	6.33	-62.19
CC[N@H+]1CCOC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013918109	1	52	0.0	-66.41	392.04	6.22	-60.19
CC(CNC(=O)NCC[NH+]1CCC(O)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013918112	0	52	0.0	-65.01	393.09	4.75	-60.26
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CC(CNC(=O)N1CCC([N@@H+]2CCC(O)C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013918152	0	56	0.0	-68.75	412.97	7.06	-61.69
CC(CNC(=O)N1CCC([N@H+]2CCC(O)C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013918152	1	56	0.0	-67.38	409.55	7.26	-60.12
C[NH+](C)C1(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013918181	0	48	0.0	-59.98	371.47	7.65	-52.33
CC1C(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1C	REAL300013918184	0	48	0.0	-64.89	370.18	7.16	-57.73
CC1C(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1C	REAL300013918184	1	48	0.0	-65.24	365.33	7.65	-57.59
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CC1C[N@@H+]2CCCCC2CN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013918214	0	55	0.0	-60.02	394.98	10.72	-49.30
CC1C[N@H+]2CCCCC2CN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013918214	1	55	0.0	-58.78	394.93	10.73	-48.05
CC(CNC(=O)N1CCCC([NH+]2CCOCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013918244	0	59	0.0	-63.92	422.34	9.54	-54.38
CC1CC[N@H+](CCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013918252	0	51	0.0	-63.81	390.03	7.81	-56.00
CC1CC[N@@H+](CCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013918252	1	51	0.0	-63.88	390.96	7.85	-56.03
CC1CCC[N@@H+]1CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013918253	0	51	0.0	-59.19	378.54	7.74	-51.45
CC1CCC[N@H+]1CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013918253	1	51	0.0	-62.09	383.87	7.50	-54.59
CC1CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013918255	1	58	0.0	-59.78	425.99	12.48	-47.30
CC1CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013918255	1	58	0.0	-64.03	429.39	12.25	-51.78
CC[NH+](CC)CC1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013918256	0	57	0.0	-67.44	414.82	10.44	-57.00
COCC(COC)[NH+]1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013918266	1	59	0.0	-58.39	438.44	8.84	-49.55
CN(CCC[NH+](C)C)CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013918277	0	58	0.0	-71.56	439.63	6.46	-65.10
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CCN(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[N@H+](CC)C1	REAL300013918306	0	54	0.0	-57.67	400.32	10.31	-47.36
CCN(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[N@@H+](CC)C1	REAL300013918306	1	54	0.0	-59.26	400.61	10.11	-49.15
C[NH+](C)CCN1CCN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1=O	REAL300013918319	0	55	0.0	-70.82	416.40	8.70	-62.12
CCC[N@H+](C)CC(C)(C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013918349	0	56	0.0	-62.69	404.22	9.80	-52.89
CCC[N@@H+](C)CC(C)(C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013918349	1	56	0.0	-62.06	408.16	9.69	-52.37
CC(CNC(=O)N1CCCC([NH2+]C2CCOCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013918354	0	59	0.0	-67.83	428.29	8.17	-59.66
CC(CNC(=O)NCC1CCC[N@H+](CC2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013918364	0	58	0.0	-62.41	426.41	10.43	-51.98
CC(CNC(=O)NCC1CCC[N@@H+](CC2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013918364	1	58	0.0	-67.21	436.93	10.20	-57.01
CCCN(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[N@H+](C)C1	REAL300013918368	0	54	0.0	-59.22	397.73	10.46	-48.76
CCCN(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[N@@H+](C)C1	REAL300013918368	1	54	0.0	-60.19	402.58	10.15	-50.04
CCN(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[N@H+](C)C1	REAL300013918369	0	51	0.0	-58.93	377.74	9.65	-49.28
CCN(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC[N@@H+](C)C1	REAL300013918369	1	51	0.0	-63.14	381.09	9.39	-53.75
COC(=O)C1CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@H+](C)C1	REAL300013918391	0	54	0.0	-65.90	401.79	9.85	-56.05
COC(=O)C1CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC[N@@H+](C)C1	REAL300013918391	1	54	0.0	-67.37	407.69	9.62	-57.75
C[N@@H+]1CCCC2C1CCN2C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013918416	0	52	0.0	-68.92	370.20	9.00	-59.92
C[N@H+]1CCCC2C1CCN2C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013918416	1	52	0.0	-70.01	371.68	8.97	-61.04
C[N@@H+]1CCCCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013918425	0	54	0.0	-64.26	393.50	8.78	-55.48
C[N@H+]1CCCCC(CNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013918425	1	54	0.0	-65.95	392.74	9.02	-56.93
C[N@@H+]1C[C@@H]2CCCN(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)[C@@H]2C1	REAL300013918426	0	52	0.0	-61.14	379.52	9.73	-51.41
C[N@H+]1C[C@@H]2CCCN(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)[C@@H]2C1	REAL300013918426	1	52	0.0	-63.61	379.33	9.20	-54.41
COCC[N@H+]1[C@H](C)CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C[C@@H]1C	REAL300013918467	0	58	0.0	-61.34	418.61	8.90	-52.44
COCC[N@@H+]1[C@H](C)CN(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C[C@@H]1C	REAL300013918467	1	58	0.0	-59.76	419.61	8.40	-51.36
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013918535	0	55	0.0	-66.17	427.61	8.97	-57.20
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013918536	0	61	0.0	-66.82	460.58	7.59	-59.23
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CC(CNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300013918579	1	55	0.0	-59.65	410.78	10.07	-49.58
CC(CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)(C(=O)[O-])C1=CC=CC=C1	REAL300013918589	0	55	0.0	-66.35	422.08	5.06	-61.29
CC(CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)(C(=O)[O-])C1=CC=CC=C1	REAL300013918589	1	55	0.0	-72.35	421.63	4.31	-68.04
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CC1=[NH+]C=C2CN(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)CCN21	REAL300013918708	1	47	0.0	-57.28	362.84	9.34	-47.94
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O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2CC2(Cl)Cl)CC1	REAL300013921365	1	45	0.0	-37.19	378.89	7.35	-29.84
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=C3OC(F)(F)OC3=C2)CC1	REAL300013921439	1	48	0.0	-46.37	394.25	6.15	-40.22
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CC2CCC1CC2	REAL300013921503	1	55	0.0	-35.10	390.59	8.24	-26.86
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC(=O)N3C=CC=CC3=N2)CC1	REAL300013921575	1	47	0.0	-44.85	378.03	6.05	-38.80
CN1C(=O)C=CC2=C1CCCC2NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013921650	1	52	0.0	-44.82	387.25	6.25	-38.57
CC1SCCC1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013921701	1	43	0.0	-36.03	333.46	6.15	-29.88
CCCN1CC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1=O	REAL300013921744	1	49	0.0	-42.69	379.35	5.10	-37.59
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)C1	REAL300013921784	0	52	0.0	-79.53	403.60	8.92	-70.61
CC(=O)N1CCN(C2=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=[NH+]2)CC1	REAL300013921788	1	55	0.0	-74.34	426.21	5.56	-68.78
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1	REAL300013921794	0	49	0.0	-71.07	369.88	7.48	-63.59
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013921802	0	51	0.0	-75.88	395.06	10.37	-65.51
CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013921808	0	57	0.0	-73.92	412.38	10.29	-63.63
CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013921808	1	57	0.0	-73.97	412.23	10.29	-63.68
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013921813	0	51	0.0	-73.72	396.32	10.27	-63.45
CC1=CC=C(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)O1	REAL300013921814	0	51	0.0	-69.41	399.26	9.38	-60.03
CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013921816	0	54	0.0	-71.64	385.93	9.29	-62.35
CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013921816	1	54	0.0	-71.46	385.92	9.28	-62.18
CC[NH+](CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013921820	0	51	0.0	-61.34	382.21	7.13	-54.21
C[N@H+](CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013921823	0	48	0.0	-70.54	373.92	7.59	-62.95
C[N@@H+](CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013921823	1	48	0.0	-70.54	373.97	7.59	-62.95
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300013921824	1	46	0.0	-75.64	367.65	7.05	-68.59
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300013921824	1	46	0.0	-75.94	368.33	7.09	-68.85
CC(C[N@@H+]1CCCC(C)C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013921847	0	51	0.0	-68.37	371.69	7.74	-60.63
CC(C[N@H+]1CCCC(C)C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013921847	1	51	0.0	-65.33	371.74	7.72	-57.61
CC1CC(C)C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013921851	0	57	0.0	-60.82	398.26	8.18	-52.64
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013921852	0	54	0.0	-68.92	399.30	8.32	-60.60
CC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013921853	0	54	0.0	-63.76	377.40	7.64	-56.12
CC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013921853	1	54	0.0	-60.85	377.21	7.60	-53.25
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013921856	0	52	0.0	-67.37	396.91	8.89	-58.48
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013921856	1	52	0.0	-70.34	395.89	8.76	-61.58
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013921875	1	62	0.0	-80.02	448.19	9.52	-70.50
CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013921890	0	55	0.0	-78.16	414.85	6.14	-72.02
CC1=[NH+]C=CN1CC(C)CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013921891	1	46	0.0	-66.17	361.20	6.91	-59.26
C[NH+](C)C1CCN(C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013921900	0	59	0.0	-65.45	417.00	5.87	-59.58
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1	REAL300013921917	0	58	0.0	-69.70	406.82	11.13	-58.57
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1	REAL300013921917	1	58	0.0	-70.42	407.81	11.16	-59.26
CC(C)(C)CC[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013921929	0	54	0.0	-71.53	388.99	9.01	-62.52
C[NH+](C)CCC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013921934	0	51	0.0	-73.09	373.13	8.70	-64.39
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013921954	0	55	0.0	-72.39	416.46	9.47	-62.92
CC1C[N@H+](CC2=CC=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)CCO1	REAL300013921955	1	56	0.0	-71.07	424.98	7.78	-63.29
CC1C[N@@H+](CC2=CC=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)CCO1	REAL300013921955	1	56	0.0	-71.22	431.75	7.81	-63.41
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1	REAL300013921960	0	58	0.0	-72.42	417.96	9.14	-63.28
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013921974	0	52	0.0	-65.27	406.40	7.43	-57.84
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)C1	REAL300013921977	0	52	0.0	-72.20	399.47	8.22	-63.98
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)C1	REAL300013921977	1	52	0.0	-71.82	401.02	8.67	-63.15
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)C1	REAL300013921978	0	52	0.0	-71.10	407.11	8.62	-62.48
COC1=CC=C(C[NH+]2CCC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300013921979	0	59	0.0	-75.74	445.97	8.77	-66.97
CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013921987	1	52	0.0	-77.07	393.85	5.56	-71.51
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013921988	0	55	0.0	-69.72	426.61	10.25	-59.47
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC(Cl)=C2)C1	REAL300013921988	1	55	0.0	-69.02	422.59	9.54	-59.48
CCOCC[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013921994	1	49	0.0	-68.50	367.27	6.81	-61.69
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300013922003	0	51	0.0	-71.21	385.24	8.52	-62.69
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300013922003	1	51	0.0	-67.70	384.33	8.22	-59.48
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013922008	0	57	0.0	-64.91	395.64	8.24	-56.67
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013922008	1	57	0.0	-61.68	395.31	8.21	-53.47
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1	REAL300013922019	0	54	0.0	-68.78	403.40	8.21	-60.57
CCC1=NC(C[NH+]2CCC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=CS1	REAL300013922020	1	57	0.0	-70.38	445.28	7.97	-62.41
COC1=CC=CC=C1C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013922033	0	59	0.0	-60.81	434.72	9.74	-51.07
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013922034	0	48	0.0	-76.42	374.58	7.59	-68.83
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)C1	REAL300013922041	1	52	0.0	-85.09	409.90	8.97	-76.12
CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922051	0	51	0.0	-67.04	367.52	6.68	-60.36
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C[NH+]1CCCCC1	REAL300013922054	0	51	0.0	-66.23	375.68	7.41	-58.82
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922080	0	53	0.0	-63.22	411.55	6.32	-56.90
CC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013922082	0	55	0.0	-66.18	412.78	9.96	-56.22
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013922083	0	51	0.0	-63.84	370.02	7.07	-56.77
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=N2)CC1	REAL300013922093	0	56	0.0	-68.23	426.91	6.87	-61.36
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013922097	0	58	0.0	-70.71	428.07	9.68	-61.03
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013922098	0	58	0.0	-69.96	428.73	9.66	-60.30
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013922111	0	56	0.0	-70.78	431.03	8.68	-62.10
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922115	1	52	0.0	-72.51	385.59	10.03	-62.48
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922115	1	52	0.0	-67.28	387.94	10.31	-56.97
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=N1	REAL300013922124	1	57	0.0	-73.65	434.96	5.98	-67.67
CC1CC[NH+](C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013922130	0	58	0.0	-65.76	431.14	10.10	-55.66
CC1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)([NH+](C)C)C1	REAL300013922138	0	54	0.0	-65.71	373.99	8.55	-57.16
C[N@H+](CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300013922148	0	61	0.0	-66.22	447.36	10.89	-55.33
C[N@@H+](CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300013922148	1	61	0.0	-65.07	441.94	11.40	-53.67
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CCC3=CC=CS3)CC2)C1	REAL300013922164	1	49	0.0	-74.64	384.34	9.52	-65.12
COC1=CC=C(N2CC[NH+](CCNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300013922174	1	58	0.0	-74.26	437.22	6.07	-68.19
CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922176	0	51	0.0	-71.23	381.02	7.46	-63.77
CN1CCC([NH+]2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013922181	0	57	0.0	-70.59	412.98	5.76	-64.83
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013922220	0	56	0.0	-65.35	397.96	8.29	-57.06
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[NH+]2CCSCC2)C1	REAL300013922226	1	43	0.0	-71.18	338.00	5.62	-65.56
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300013922239	0	58	0.0	-58.55	420.35	10.62	-47.93
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013922283	1	56	0.0	-71.42	425.51	4.01	-67.41
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)C1	REAL300013922304	0	54	0.0	-80.12	414.31	7.95	-72.17
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922315	0	57	0.0	-70.25	407.56	9.63	-60.62
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922315	1	57	0.0	-73.05	420.09	9.95	-63.10
O=C([O-])[C@@H]1CC[C@H](NC(=O)N(CCC[NH+]2CCOCC2)CC2=CC=NC=C2)C1	REAL300013922328	1	58	0.0	-77.16	436.61	8.73	-68.43
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C3CC4=CC=CC=C4C3)CC2)C1	REAL300013922331	0	53	0.0	-74.69	395.48	10.72	-63.97
CC([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013922340	0	54	0.0	-64.63	398.53	7.38	-57.25
CC([NH2+]C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013922341	0	58	0.0	-66.06	417.87	8.53	-57.53
CCC(CC)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013922342	0	60	0.0	-66.31	425.63	8.80	-57.51
CCC1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922344	0	51	0.0	-64.53	373.36	6.95	-57.58
CCC1CCCC[N@H+]1CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922344	1	51	0.0	-66.66	366.70	6.77	-59.89
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013922349	0	55	0.0	-71.45	409.86	10.87	-60.58
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013922359	0	57	0.0	-74.89	436.73	8.46	-66.43
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](CCCC3=CC=CC=C3)CC2)C1	REAL300013922361	0	58	0.0	-74.33	429.76	12.38	-61.95
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[N@@H+](CCCC3=CC=CC=C3)CC2)C1	REAL300013922361	1	58	0.0	-73.09	430.15	12.49	-60.60
CC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013922399	0	52	0.0	-62.31	394.54	7.76	-54.55
COCCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922426	0	52	0.0	-73.96	393.05	5.73	-68.23
CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922430	0	51	0.0	-69.12	372.51	8.70	-60.42
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[NH+](CCC2=CC=CC=N2)CC1	REAL300013922431	0	57	0.0	-72.72	426.15	9.92	-62.80
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013922432	0	57	0.0	-79.03	427.30	9.96	-69.07
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922446	0	58	0.0	-76.33	428.17	11.69	-64.64
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922446	1	58	0.0	-76.06	427.97	11.70	-64.36
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922457	0	54	0.0	-72.01	410.36	10.81	-61.20
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013922458	0	55	0.0	-82.24	435.42	6.15	-76.09
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCCC2C[NH+]2CCCC2)C1	REAL300013922476	0	49	0.0	-64.70	361.09	8.37	-56.33
C[NH+]1CCN(CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013922486	0	57	0.0	-70.10	435.37	7.78	-62.32
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013922491	0	59	0.0	-73.20	458.05	7.24	-65.96
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013922491	1	59	0.0	-73.31	458.02	7.24	-66.07
CC1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013922499	0	58	0.0	-69.60	439.68	10.03	-59.57
CCC[NH+](CCC)CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922500	0	53	0.0	-68.87	392.98	7.34	-61.53
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013922504	0	57	0.0	-72.29	436.49	7.07	-65.22
CN1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013922504	1	57	0.0	-72.24	435.95	6.95	-65.29
CC1CC[NH+](CC2CCCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013922529	0	58	0.0	-68.32	414.54	10.59	-57.73
CC(C)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013922538	0	55	0.0	-65.23	402.13	9.06	-56.17
CC(C)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013922538	1	55	0.0	-68.02	401.83	9.20	-58.82
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1	REAL300013922552	1	52	0.0	-77.57	408.82	7.86	-69.71
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922554	0	57	0.0	-69.37	431.75	11.79	-57.58
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922559	0	57	0.0	-64.97	439.62	11.95	-53.02
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1	REAL300013922570	0	53	0.0	-69.82	393.09	7.61	-62.21
C[NH+](C)CCCOC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013922573	0	55	0.0	-73.09	430.04	8.05	-65.04
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300013922575	0	55	0.0	-74.86	424.14	9.62	-65.24
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300013922575	1	55	0.0	-72.95	424.11	9.61	-63.34
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013922599	0	52	0.0	-66.92	387.82	8.65	-58.27
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013922599	1	52	0.0	-71.34	387.67	8.59	-62.75
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300013922600	1	49	0.0	-68.27	379.65	8.09	-60.18
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300013922600	1	49	0.0	-71.81	378.31	7.70	-64.11
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CC3CCCCC3)CC2)C1	REAL300013922619	0	55	0.0	-71.23	393.45	10.03	-61.20
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922620	0	51	0.0	-67.91	406.67	10.71	-57.20
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922621	0	51	0.0	-68.69	396.35	10.28	-58.41
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922622	0	51	0.0	-80.29	402.65	10.32	-69.97
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922623	0	51	0.0	-77.21	398.07	10.31	-66.90
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922631	0	54	0.0	-65.47	413.99	7.37	-58.10
CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922634	0	55	0.0	-73.87	399.03	7.47	-66.40
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922644	1	55	0.0	-79.93	429.71	3.59	-76.34
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013922646	0	58	0.0	-75.57	444.75	7.96	-67.61
C[N@H+](CCN1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1)CC1=CC=CC=C1	REAL300013922652	0	60	0.0	-75.91	445.07	9.20	-66.71
C[N@@H+](CCN1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1)CC1=CC=CC=C1	REAL300013922652	1	60	0.0	-75.70	444.03	9.03	-66.67
C[NH+](C)CCOC1=CC=C(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013922654	0	55	0.0	-73.64	429.31	8.20	-65.44
CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922679	0	51	0.0	-65.54	357.46	8.66	-56.88
CC(C)(C)[N@H+]1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922679	1	51	0.0	-61.30	357.76	8.59	-52.71
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013922687	0	51	0.0	-71.43	395.56	8.30	-63.13
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013922687	1	51	0.0	-69.53	395.32	8.27	-61.26
COC1=CC=[NH+]C(N2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300013922694	0	49	0.0	-62.87	372.96	6.10	-56.77
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2C[N@@H+]3CCCC3CO2)C1	REAL300013922700	0	47	0.0	-68.29	350.21	4.68	-63.61
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2C[N@H+]3CCCC3CO2)C1	REAL300013922700	1	47	0.0	-65.91	350.53	4.70	-61.21
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922703	0	56	0.0	-67.40	407.31	6.91	-60.49
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922703	1	56	0.0	-68.64	407.30	6.91	-61.73
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922703	1	56	0.0	-71.71	404.60	6.83	-64.88
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCCC2C[NH+]2CCCCC2)C1	REAL300013922705	0	52	0.0	-64.00	377.54	9.12	-54.88
CC1C[NH+](CC2CCCN2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC(C)O1	REAL300013922707	1	56	0.0	-65.02	400.48	7.94	-57.08
CC(C)[N@@H+]1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013922709	0	51	0.0	-66.59	368.04	7.12	-59.47
CC(C)[N@H+]1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013922709	1	51	0.0	-69.41	375.22	7.09	-62.32
CC1CCC(C)[NH+]1CCN1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922710	0	60	0.0	-68.62	427.92	7.73	-60.89
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922712	0	51	0.0	-70.66	394.33	10.01	-60.65
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)C1	REAL300013922715	0	56	0.0	-74.91	430.25	6.13	-68.78
CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922716	0	54	0.0	-66.57	398.19	8.12	-58.45
COCCN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922718	0	48	0.0	-65.80	368.42	6.60	-59.20
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCCC([NH+]3CCCC3)C2)C1	REAL300013922748	0	49	0.0	-66.38	357.03	8.31	-58.07
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013922800	0	53	0.0	-63.34	373.95	5.53	-57.81
CC1(C)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013922806	0	55	0.0	-64.38	399.87	10.57	-53.81
CC1(C)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013922806	1	55	0.0	-67.18	399.83	10.57	-56.61
C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922814	0	49	0.0	-70.34	368.39	6.93	-63.41
CCCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013922882	0	61	0.0	-65.68	450.90	12.58	-53.10
CCCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013922882	1	61	0.0	-73.32	425.21	12.78	-60.54
CC[NH+]1CCN(C2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013922904	0	54	0.0	-71.84	395.95	6.40	-65.44
CC(CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922908	0	50	0.0	-64.78	373.94	4.48	-60.30
CC(C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922908	1	50	0.0	-69.55	373.39	4.44	-65.11
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C1	REAL300013922909	0	55	0.0	-69.02	430.34	10.06	-58.96
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2F)CC1	REAL300013922910	0	57	0.0	-73.92	439.42	7.81	-66.11
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922916	0	50	0.0	-75.90	386.80	8.40	-67.50
CC1CCCC(C)[NH+]1CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013922932	0	51	0.0	-62.87	365.62	6.54	-56.33
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013922946	1	53	0.0	-70.57	410.49	7.06	-63.51
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013922951	0	51	0.0	-79.85	391.85	7.03	-72.82
CC[NH+](CC)C1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013922958	0	51	0.0	-68.95	360.39	8.18	-60.77
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300013922975	0	60	0.0	-74.34	450.70	8.34	-66.00
CC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013923003	0	51	0.0	-68.43	389.89	8.28	-60.15
COCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013923014	0	49	0.0	-69.55	370.64	5.11	-64.44
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013923024	0	55	0.0	-69.55	405.85	9.06	-60.49
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013923024	1	55	0.0	-65.88	409.94	9.73	-56.15
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013923026	0	55	0.0	-72.92	409.89	9.41	-63.51
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013923026	1	55	0.0	-72.85	409.81	9.41	-63.44
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCCC([NH+]3CCCCC3)C2)C1	REAL300013923028	0	52	0.0	-66.02	371.37	9.02	-57.00
COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013923029	0	55	0.0	-67.48	396.44	6.03	-61.45
COC1CC[NH+](C2(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCCC2)CC1	REAL300013923030	0	59	0.0	-63.98	417.59	7.01	-56.97
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)C2)C1	REAL300013923033	0	49	0.0	-69.68	361.07	8.20	-61.48
COCC[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013923037	0	52	0.0	-68.28	390.52	5.80	-62.48
CCCC[N@@H+]1CCCCC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923052	0	54	0.0	-67.17	394.03	8.35	-58.82
CCCC[N@H+]1CCCCC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923052	1	54	0.0	-63.82	394.08	8.34	-55.48
CC1(C)C[N@@H+](C2(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCCCC2)CCO1	REAL300013923056	0	62	0.0	-67.09	424.06	7.42	-59.67
CC1(C)C[N@H+](C2(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCCCC2)CCO1	REAL300013923056	1	62	0.0	-69.76	420.72	8.25	-61.51
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCC1	REAL300013923079	0	55	0.0	-64.63	406.75	9.45	-55.18
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCC1	REAL300013923079	1	55	0.0	-65.37	408.45	8.97	-56.40
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCOC3)CC2)C1	REAL300013923101	0	53	0.0	-75.07	393.18	6.07	-69.00
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1	REAL300013923107	0	53	0.0	-74.27	384.37	7.58	-66.69
CN1CC[NH+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013923110	0	53	0.0	-69.77	398.37	4.87	-64.90
C[NH+]1CCN(CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013923110	1	53	0.0	-69.84	398.77	4.99	-64.85
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923120	1	52	0.0	-72.09	387.55	10.21	-61.88
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923120	1	52	0.0	-68.91	386.26	10.08	-58.83
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1	REAL300013923139	0	59	0.0	-68.45	412.86	7.18	-61.27
CC[N@@H+]1CCC2CCC(C1)N2C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923154	0	49	0.0	-63.07	348.20	8.67	-54.40
CC[N@H+]1CCC2CCC(C1)N2C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923154	1	49	0.0	-60.96	348.19	8.67	-52.29
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923165	0	53	0.0	-69.37	408.37	9.73	-59.64
C[NH+](C)CCN(CC1=CC=CS1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923167	0	48	0.0	-73.73	385.70	9.53	-64.20
C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013923203	0	49	0.0	-55.56	341.91	7.46	-48.10
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923217	0	52	0.0	-65.95	375.28	6.04	-59.91
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923217	1	52	0.0	-73.14	372.87	5.79	-67.35
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1	REAL300013923243	0	53	0.0	-69.93	384.77	7.56	-62.37
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923246	0	58	0.0	-72.44	426.64	10.22	-62.22
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923246	1	58	0.0	-72.35	426.69	10.22	-62.13
C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@H](C)[N@H+]1CCO	REAL300013923266	0	49	0.0	-62.53	348.82	4.41	-58.12
C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@H](C)[N@@H+]1CCO	REAL300013923266	1	49	0.0	-67.30	349.85	3.94	-63.36
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013923279	0	55	0.0	-71.63	403.49	11.07	-60.56
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013923279	1	55	0.0	-65.68	403.27	10.91	-54.77
C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923286	0	57	0.0	-69.24	415.52	10.39	-58.85
C[NH+](C)CCCCCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923287	0	53	0.0	-69.88	404.76	7.90	-61.98
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)C1	REAL300013923299	0	53	0.0	-73.11	374.23	7.58	-65.53
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](C3CCOCC3)CC2)C1	REAL300013923299	1	53	0.0	-72.92	374.54	7.69	-65.23
CC1CC(N(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013923301	0	58	0.0	-68.56	426.62	11.34	-57.22
CC1CC(N(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013923301	1	58	0.0	-70.58	426.52	11.38	-59.20
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCCC([NH+]3CCCC3)CC2)C1	REAL300013923303	0	52	0.0	-67.99	370.79	9.18	-58.81
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1	REAL300013923306	0	52	0.0	-62.43	368.71	9.75	-52.68
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1	REAL300013923306	1	52	0.0	-67.16	369.24	9.73	-57.43
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923311	1	57	0.0	-70.51	425.33	9.20	-61.31
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C[NH+]1CCOCC1	REAL300013923312	1	49	0.0	-70.45	367.29	5.07	-65.38
CC(C)C1CCC([NH+]2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013923317	0	61	0.0	-68.26	420.35	10.95	-57.31
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](CC3=CC=CC=C3)C3(CCCCC3)C2)C1	REAL300013923339	0	62	0.0	-67.69	436.08	12.30	-55.39
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+](CC3=CC=CC=C3)C3(CCCCC3)C2)C1	REAL300013923339	1	62	0.0	-67.22	436.18	12.28	-54.94
CN(CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923362	0	57	0.0	-70.13	425.84	8.65	-61.48
CC[N@H+](CCC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1)CC1CC1	REAL300013923373	0	61	0.0	-72.88	441.86	11.63	-61.25
CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1)CC1CC1	REAL300013923373	1	61	0.0	-72.41	441.42	11.60	-60.81
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC(C)(C)O	REAL300013923391	0	52	0.0	-69.66	370.86	5.79	-63.87
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC(C)(C)O	REAL300013923391	1	52	0.0	-67.52	375.87	5.73	-61.79
C[NH+](C)CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300013923428	0	48	0.0	-69.21	386.96	8.95	-60.26
CC(O)C[N@@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013923429	0	49	0.0	-67.57	360.66	4.95	-62.62
CC(O)C[N@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013923429	1	49	0.0	-64.70	358.89	4.73	-59.97
CC1(C)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CCO	REAL300013923430	0	49	0.0	-65.70	351.40	4.43	-61.27
CC1(C)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CCO	REAL300013923430	1	49	0.0	-63.79	349.88	4.72	-59.07
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1	REAL300013923449	0	56	0.0	-75.45	406.07	8.15	-67.30
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013923461	0	60	0.0	-67.91	398.07	9.22	-58.69
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923486	0	55	0.0	-73.03	413.40	5.64	-67.39
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923486	1	55	0.0	-71.14	414.54	5.87	-65.27
C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013923487	0	52	0.0	-74.29	379.86	5.23	-69.06
C[N@@H+](CCCO)C1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013923487	1	52	0.0	-74.26	379.86	5.23	-69.03
COC1=CC(C[N@@H+]2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013923502	1	57	0.0	-75.20	437.88	6.71	-68.49
COC1=CC(C[N@H+]2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013923502	1	57	0.0	-75.10	437.69	6.69	-68.41
C[NH+](C)CCN(CC1=CC=CO1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923523	0	48	0.0	-67.77	371.94	8.50	-59.27
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013923543	0	51	0.0	-68.73	388.26	5.74	-62.99
CC[N@H+](CCC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1)CC(C)C	REAL300013923556	0	63	0.0	-72.32	447.18	11.48	-60.84
CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1)CC(C)C	REAL300013923556	1	63	0.0	-71.63	447.87	11.52	-60.11
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013923569	1	51	0.0	-73.96	382.86	7.99	-65.97
COC(=O)CC[N@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013923569	1	51	0.0	-79.31	383.55	7.90	-71.41
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013923570	0	59	0.0	-73.01	452.85	9.49	-63.52
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013923591	0	51	0.0	-73.24	400.07	8.47	-64.77
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC([NH2+]C3CCS(=O)(=O)C3)CC2)C1	REAL300013923601	0	52	0.0	-96.79	395.94	3.74	-93.05
C[NH+]1CCC(OC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013923628	0	56	0.0	-73.49	429.00	8.32	-65.17
C[N@@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1CC1=CC=CC=C1	REAL300013923636	1	52	0.0	-78.86	390.46	10.04	-68.82
C[N@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1CC1=CC=CC=C1	REAL300013923636	1	52	0.0	-76.03	389.05	9.99	-66.04
COC1=CC=C(C(C[NH+](C)C)NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013923640	0	52	0.0	-66.77	400.99	7.13	-59.64
CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013923655	0	56	0.0	-68.52	400.75	6.86	-61.66
CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013923655	1	56	0.0	-70.30	398.22	6.33	-63.97
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300013923669	0	51	0.0	-76.65	390.64	9.09	-67.56
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923690	0	55	0.0	-69.12	398.11	10.75	-58.37
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923690	1	55	0.0	-66.82	398.40	10.68	-56.14
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013923695	0	53	0.0	-69.70	408.90	5.57	-64.13
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013923695	1	53	0.0	-72.55	409.97	5.82	-66.73
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013923699	1	56	0.0	-73.88	414.95	7.35	-66.53
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013923699	1	56	0.0	-68.99	417.27	7.88	-61.11
C[NH+](C)CCN(CC1CCCO1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923711	0	52	0.0	-66.89	391.23	7.80	-59.09
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923714	1	57	0.0	-73.76	426.41	8.04	-65.72
CC(C)C[N@@H+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013923734	0	51	0.0	-67.81	382.12	7.24	-60.57
CC(C)C[N@H+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013923734	1	51	0.0	-70.59	381.69	7.19	-63.40
CC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013923744	0	52	0.0	-67.61	398.60	8.69	-58.92
CC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013923744	1	52	0.0	-68.19	393.31	8.37	-59.82
C[NH+](C)CCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCC1	REAL300013923749	0	51	0.0	-71.57	367.75	9.62	-61.95
CC(C)CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013923750	0	60	0.0	-68.64	446.96	9.14	-59.50
CCCC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013923766	0	58	0.0	-69.86	428.19	11.39	-58.47
CCCC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013923766	1	58	0.0	-66.26	428.22	11.36	-54.90
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923767	0	51	0.0	-72.84	392.87	8.89	-63.95
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923767	1	51	0.0	-72.50	392.78	8.88	-63.62
CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923786	0	53	0.0	-65.07	389.43	9.23	-55.84
CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923787	0	51	0.0	-65.96	380.16	9.19	-56.77
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[N@H+](C)C1	REAL300013923800	0	49	0.0	-58.17	368.08	6.57	-51.60
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[N@@H+](C)C1	REAL300013923800	1	49	0.0	-73.45	362.63	5.96	-67.49
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013923803	0	51	0.0	-69.28	379.60	7.84	-61.44
CC1=CC=CC=C1C(C(C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+](C)C	REAL300013923804	0	54	0.0	-66.64	391.12	8.79	-57.85
CCC[N@H+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300013923807	0	54	0.0	-71.47	424.87	9.55	-61.92
CCC[N@@H+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300013923807	1	54	0.0	-68.43	416.82	9.83	-58.60
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	REAL300013923838	1	54	0.0	-65.11	380.22	3.76	-61.35
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923855	1	55	0.0	-69.98	428.64	9.50	-60.48
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923855	1	55	0.0	-69.47	429.25	9.61	-59.86
CC1=[NH+]C=CN1CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013923857	1	46	0.0	-65.23	367.36	7.11	-58.12
C[NH+](C)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013923859	0	52	0.0	-67.11	383.66	8.63	-58.48
CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013923898	0	49	0.0	-68.38	359.25	5.30	-63.08
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3O)CC2)C1	REAL300013923938	0	56	0.0	-67.36	403.09	4.84	-62.52
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013923976	0	55	0.0	-70.61	425.18	9.72	-60.89
CCC(C)[NH2+]C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013924006	0	51	0.0	-64.39	386.95	6.06	-58.33
CN(CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924011	0	60	0.0	-71.05	449.39	9.36	-61.69
C[NH+](C)CCN(CC1=CSC=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924033	0	48	0.0	-73.10	383.53	9.35	-63.75
COCCC[N@H+](C)CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924075	0	48	0.0	-70.53	370.16	4.46	-66.07
COCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924075	1	48	0.0	-70.58	370.17	4.48	-66.10
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013924087	0	53	0.0	-68.54	392.35	4.90	-63.64
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013924087	1	53	0.0	-69.59	395.67	5.37	-64.22
CCN1CC[NH+](CC(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013924088	0	56	0.0	-67.04	409.23	5.52	-61.52
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013924088	1	56	0.0	-66.75	413.20	6.02	-60.73
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013924089	0	60	0.0	-69.44	450.59	10.17	-59.27
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013924089	1	60	0.0	-69.13	456.80	10.51	-58.62
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013924101	0	52	0.0	-69.97	376.49	3.85	-66.12
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924112	0	58	0.0	-70.81	429.86	9.77	-61.04
CCC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013924113	1	59	0.0	-72.38	431.82	8.15	-64.23
CCC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013924113	1	59	0.0	-72.06	442.21	8.67	-63.39
CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924128	0	53	0.0	-69.37	393.46	6.45	-62.92
CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924128	1	53	0.0	-68.35	394.50	6.50	-61.85
C[N@@H+]1CCC2C(CCCN2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013924129	0	49	0.0	-69.47	343.60	7.83	-61.64
C[N@H+]1CCC2C(CCCN2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013924129	1	49	0.0	-69.65	343.59	7.80	-61.85
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013924135	0	55	0.0	-71.69	421.18	9.58	-62.11
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013924135	1	55	0.0	-71.89	421.17	9.70	-62.19
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1	REAL300013924148	0	59	0.0	-74.34	427.54	8.93	-65.41
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013924164	0	58	0.0	-62.18	433.22	10.29	-51.89
CC(C)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C[NH+]1CCCC1	REAL300013924175	0	51	0.0	-67.18	367.50	7.29	-59.89
CC[N@H+](CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CCC(F)(F)F	REAL300013924191	0	47	0.0	-73.59	368.12	6.19	-67.40
CC[N@@H+](CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CCC(F)(F)F	REAL300013924191	1	47	0.0	-73.93	372.60	6.48	-67.45
CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924195	0	51	0.0	-64.80	384.19	9.31	-55.49
CC1CC([NH+]2CCCC2)CN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924201	0	49	0.0	-70.47	362.38	8.19	-62.28
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013924204	0	49	0.0	-71.38	382.39	9.21	-62.17
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013924204	1	49	0.0	-71.48	382.50	9.20	-62.28
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3(CC[N@H+](CC4=CC=CC=C4)C3)C2)C1	REAL300013924205	0	56	0.0	-76.03	421.68	10.87	-65.16
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3(CC[N@@H+](CC4=CC=CC=C4)C3)C2)C1	REAL300013924205	1	56	0.0	-69.83	422.02	10.77	-59.06
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC2CCC(C1)[NH+]2C	REAL300013924210	0	49	0.0	-60.84	325.82	6.16	-54.68
CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924211	0	54	0.0	-64.27	395.82	9.88	-54.39
COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013924218	0	59	0.0	-68.41	421.61	7.01	-61.40
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300013924221	0	56	0.0	-75.40	409.64	6.16	-69.24
C[N@@H+]1CC2CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2C1C1=CC=CC=C1	REAL300013924264	0	53	0.0	-71.95	392.50	9.92	-62.03
C[N@H+]1CC2CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2C1C1=CC=CC=C1	REAL300013924264	1	53	0.0	-70.00	390.32	9.39	-60.61
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013924280	1	53	0.0	-68.81	381.76	6.57	-62.24
CC1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013924284	0	61	0.0	-67.77	431.48	11.03	-56.74
CC1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013924284	1	61	0.0	-70.74	431.49	11.06	-59.68
CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013924319	1	51	0.0	-63.33	384.58	7.31	-56.02
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCC[N@@H+](C2CCC2)C1	REAL300013924321	0	55	0.0	-70.23	403.84	8.70	-61.53
CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCC[N@H+](C2CCC2)C1	REAL300013924321	1	55	0.0	-64.86	396.78	8.60	-56.26
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3CCC(C2)[N@@H+]3CC2=CC=CC=C2)C1	REAL300013924324	0	56	0.0	-62.59	390.24	10.48	-52.11
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3CCC(C2)[N@H+]3CC2=CC=CC=C2)C1	REAL300013924324	1	56	0.0	-66.32	401.43	11.22	-55.10
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)C1	REAL300013924325	0	53	0.0	-67.31	408.48	5.75	-61.56
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)C1	REAL300013924325	1	53	0.0	-63.62	404.87	6.36	-57.26
CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013924340	0	60	0.0	-70.30	429.72	10.85	-59.45
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013924352	1	53	0.0	-71.15	405.61	8.79	-62.36
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013924352	1	53	0.0	-74.87	406.08	8.85	-66.02
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)C1	REAL300013924354	0	56	0.0	-70.81	421.31	7.99	-62.82
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)C1	REAL300013924354	1	56	0.0	-73.07	421.59	7.94	-65.13
CC1C[N@H+](CCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCO1	REAL300013924380	0	52	0.0	-72.07	385.89	5.76	-66.31
CC1C[N@@H+](CCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCO1	REAL300013924380	1	52	0.0	-72.17	385.90	5.75	-66.42
CN1CC[NH+](CC2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013924383	0	57	0.0	-73.14	409.65	7.42	-65.72
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924399	0	51	0.0	-71.55	395.19	9.02	-62.53
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924399	1	51	0.0	-71.91	394.11	8.92	-62.99
CC1C([NH+]2CCCC2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924418	0	49	0.0	-66.43	363.23	8.36	-58.07
CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924421	0	54	0.0	-66.98	388.32	9.38	-57.60
CN(CCC1CCCC[N@@H+]1C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924424	0	51	0.0	-63.46	366.47	8.55	-54.91
CN(CCC1CCCC[N@H+]1C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924424	1	51	0.0	-70.35	365.95	8.42	-61.93
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013924431	0	55	0.0	-70.93	398.26	10.36	-60.57
C[N@@H+]1CCCC2CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCC21	REAL300013924467	0	49	0.0	-68.27	345.64	7.71	-60.56
C[N@H+]1CCCC2CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCC21	REAL300013924467	1	49	0.0	-70.87	352.69	8.14	-62.73
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3C(CCC[N@@H+]3CC3=CC=CC=C3)C2)C1	REAL300013924468	0	59	0.0	-68.45	429.17	11.67	-56.78
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3C(CCC[N@H+]3CC3=CC=CC=C3)C2)C1	REAL300013924468	1	59	0.0	-68.20	429.02	11.69	-56.51
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013924480	0	53	0.0	-69.12	386.42	7.02	-62.10
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013924480	1	53	0.0	-71.74	389.58	7.24	-64.50
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)C1	REAL300013924481	0	52	0.0	-68.89	371.12	9.00	-59.89
CC1=CC=[NH+]C(N2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300013924485	1	48	0.0	-61.94	364.66	7.44	-54.50
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013924487	1	54	0.0	-72.90	423.93	7.24	-65.66
NC1=CN=[NH+]C(NNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300013924494	0	36	0.0	-56.46	308.72	2.29	-54.17
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300013924526	0	59	0.0	-73.08	434.26	10.86	-62.22
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300013924526	1	59	0.0	-70.94	435.88	10.77	-60.17
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@@H+]2C2CC2)C1	REAL300013924544	0	49	0.0	-66.11	359.98	6.86	-59.25
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@H+]2C2CC2)C1	REAL300013924544	1	49	0.0	-63.60	360.01	6.84	-56.76
CC1(C)CCC[N@H+](CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013924561	0	51	0.0	-68.88	373.19	7.00	-61.88
CC1(C)CCC[N@@H+](CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013924561	1	51	0.0	-66.09	373.18	6.97	-59.12
C[NH+](C)CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013924572	0	48	0.0	-70.22	376.64	8.51	-61.71
CC(C)OC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013924581	0	58	0.0	-73.50	437.64	8.40	-65.10
CC(C)CC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013924590	0	60	0.0	-68.58	449.74	10.29	-58.29
CC1C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013924606	0	52	0.0	-70.66	401.10	8.86	-61.80
CC1C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013924606	1	52	0.0	-71.75	395.80	8.46	-63.29
C[N@H+](CC1=CC=CC=C1)C1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013924614	0	52	0.0	-73.06	396.16	9.91	-63.15
C[N@@H+](CC1=CC=CC=C1)C1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013924614	1	52	0.0	-73.81	396.17	9.90	-63.91
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CC(CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013924684	0	51	0.0	-66.45	373.79	7.02	-59.43
CC(C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924690	0	51	0.0	-69.96	371.40	8.82	-61.14
CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924702	0	51	0.0	-64.65	386.96	5.56	-59.09
CN1CC[NH+](CC2(C)CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013924707	0	60	0.0	-70.11	416.50	7.56	-62.55
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1	REAL300013924712	0	49	0.0	-66.92	365.13	7.16	-59.76
CC1=C[NH+]=CC=C1OC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013924727	1	50	0.0	-72.72	382.16	8.03	-64.69
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924744	0	53	0.0	-71.16	377.36	7.14	-64.02
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924744	1	53	0.0	-70.65	378.66	7.37	-63.28
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924745	0	53	0.0	-67.19	378.70	7.36	-59.83
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924745	1	53	0.0	-72.74	377.66	7.14	-65.60
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924754	0	54	0.0	-68.92	424.13	6.29	-62.63
CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924757	0	55	0.0	-69.14	409.29	6.64	-62.50
CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924757	1	55	0.0	-69.54	409.56	6.65	-62.89
CN(CCCN(C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC[NH+](C)C	REAL300013924757	1	55	0.0	-72.02	409.81	6.80	-65.22
CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924758	0	57	0.0	-68.99	409.84	10.23	-58.76
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924763	0	51	0.0	-73.41	392.97	8.84	-64.57
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924763	1	51	0.0	-72.85	392.68	8.83	-64.02
CCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013924805	0	51	0.0	-72.55	379.09	8.53	-64.02
CCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013924805	1	51	0.0	-72.34	378.94	8.53	-63.81
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013924813	0	52	0.0	-73.21	397.25	8.83	-64.38
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013924813	1	52	0.0	-70.28	396.95	8.80	-61.48
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924825	0	55	0.0	-70.52	413.29	10.90	-59.62
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924825	1	55	0.0	-69.54	416.05	10.90	-58.64
CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013924834	0	60	0.0	-70.13	415.58	7.34	-62.79
CC[N@@H+]1CCC(N(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013924853	0	51	0.0	-70.50	351.63	7.85	-62.65
CC[N@H+]1CCC(N(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013924853	1	51	0.0	-60.49	351.65	7.95	-52.54
CC(C)C[N@@H+]1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013924857	0	54	0.0	-70.07	396.86	8.06	-62.01
CC(C)C[N@H+]1CCCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013924857	1	54	0.0	-68.91	389.90	7.93	-60.98
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3C(CCC[N@@H+]3C3CC3)C2)C1	REAL300013924863	0	53	0.0	-69.68	372.42	8.98	-60.70
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3C(CCC[N@H+]3C3CC3)C2)C1	REAL300013924863	1	53	0.0	-69.53	372.36	8.96	-60.57
CCC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013924880	0	55	0.0	-69.25	406.77	10.64	-58.61
CCC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013924880	1	55	0.0	-72.18	400.88	10.75	-61.43
C[NH+](C)CC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1	REAL300013924889	0	51	0.0	-70.00	358.96	7.32	-62.68
C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@H](C)O1	REAL300013924923	1	52	0.0	-68.61	383.32	7.27	-61.34
C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@H](C)O1	REAL300013924923	1	52	0.0	-65.91	390.20	7.34	-58.57
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924924	1	52	0.0	-68.35	382.80	7.23	-61.12
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924924	1	52	0.0	-68.22	383.19	7.24	-60.98
CC1=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC(N2CCCC2)=[NH+]1	REAL300013924950	1	51	0.0	-62.48	396.38	6.26	-56.22
CSC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[NH+](C)CC1	REAL300013924952	0	49	0.0	-70.55	369.44	6.72	-63.83
CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013924969	0	55	0.0	-66.29	397.18	10.82	-55.47
CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013924969	1	55	0.0	-67.03	398.66	10.63	-56.40
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924974	0	58	0.0	-68.93	435.26	11.88	-57.05
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924974	1	58	0.0	-70.65	434.84	11.94	-58.71
CC1=[NH+]C=CN1CCCN(C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013924994	1	46	0.0	-63.56	363.27	8.70	-54.86
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013925009	0	54	0.0	-76.42	407.91	7.70	-68.72
CC1CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013925012	0	55	0.0	-68.89	420.11	9.25	-59.64
CC1CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013925012	1	55	0.0	-68.79	419.79	9.29	-59.50
CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925034	0	53	0.0	-64.21	385.54	9.08	-55.13
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925045	0	52	0.0	-71.54	397.41	9.18	-62.36
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925045	1	52	0.0	-72.42	396.61	8.98	-63.44
C[N@@H+]1CCCC(C)(C)C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925069	0	51	0.0	-64.14	357.52	7.98	-56.16
C[N@H+]1CCCC(C)(C)C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925069	1	51	0.0	-68.11	357.00	7.26	-60.85
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013925076	0	52	0.0	-73.55	400.24	8.70	-64.85
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013925076	1	52	0.0	-73.43	401.12	8.75	-64.68
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300013925090	0	53	0.0	-76.38	398.98	10.24	-66.14
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300013925090	1	53	0.0	-69.08	402.25	10.30	-58.78
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013925095	0	58	0.0	-70.54	426.14	10.24	-60.30
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013925095	1	58	0.0	-72.93	427.20	10.14	-62.79
CC1CCCC[N@@H+]1CC1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013925142	0	58	0.0	-68.61	403.19	10.13	-58.48
CC1CCCC[N@H+]1CC1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013925142	1	58	0.0	-64.10	410.19	10.42	-53.68
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[N@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)C1	REAL300013925157	0	52	0.0	-77.96	419.21	9.18	-68.78
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[N@@H+](CC3=CC=C(C(F)(F)F)C=C3)C2)C1	REAL300013925157	1	52	0.0	-80.27	417.65	9.09	-71.18
CC(C)[N@@H+]1C2CCC1CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC2	REAL300013925166	0	52	0.0	-57.54	364.01	9.11	-48.43
CC(C)[N@H+]1C2CCC1CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC2	REAL300013925166	1	52	0.0	-62.66	364.20	8.59	-54.07
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1	REAL300013925168	0	56	0.0	-69.82	412.58	8.66	-61.16
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)C2)C1	REAL300013925173	0	49	0.0	-71.82	365.93	8.18	-63.64
C[N@H+](CC1CC1)CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013925179	0	52	0.0	-73.06	390.97	9.34	-63.72
C[N@@H+](CC1CC1)CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013925179	1	52	0.0	-72.94	389.05	9.34	-63.60
CC(C)[NH+](CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(C)C	REAL300013925180	0	53	0.0	-65.03	378.99	6.77	-58.26
CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013925182	1	52	0.0	-68.51	387.55	7.55	-60.96
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013925184	0	55	0.0	-71.18	409.98	10.81	-60.37
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013925184	1	55	0.0	-74.30	399.70	11.30	-63.00
CC(CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300013925193	0	54	0.0	-70.03	408.58	8.74	-61.29
CC(CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300013925193	1	54	0.0	-70.01	408.85	8.74	-61.27
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300013925200	0	48	0.0	-75.44	384.91	8.05	-67.39
CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013925209	0	55	0.0	-69.67	406.07	7.73	-61.94
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1	REAL300013925215	0	58	0.0	-71.54	419.01	10.56	-60.98
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925220	1	55	0.0	-69.29	386.88	7.42	-61.87
CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013925234	0	58	0.0	-70.61	413.02	9.34	-61.27
CC1CC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013925243	0	58	0.0	-71.62	441.09	10.00	-61.62
CC1CC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013925243	1	58	0.0	-69.65	433.84	9.65	-60.00
C[NH+](C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925244	0	58	0.0	-81.38	448.06	6.49	-74.89
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300013925293	0	51	0.0	-70.88	404.36	9.52	-61.36
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925294	0	57	0.0	-74.55	423.45	9.67	-64.88
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925294	1	57	0.0	-71.23	429.29	10.15	-61.08
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+](C2CCC2)C1	REAL300013925345	0	52	0.0	-65.29	372.62	9.29	-56.00
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+](C2CCC2)C1	REAL300013925345	1	52	0.0	-59.82	365.42	9.72	-50.10
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013925361	0	52	0.0	-67.00	401.16	8.76	-58.24
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013925361	1	52	0.0	-69.79	396.68	9.14	-60.65
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CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013925409	0	55	0.0	-69.42	413.06	6.83	-62.59
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1	REAL300013925415	0	50	0.0	-71.35	362.24	6.59	-64.76
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1	REAL300013925420	0	57	0.0	-68.85	429.12	8.97	-59.88
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925435	0	54	0.0	-70.71	397.96	9.77	-60.94
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925435	1	54	0.0	-74.06	398.54	9.72	-64.34
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCCC1[N@H+](C)C1CCN(C)CC1	REAL300013925439	0	66	0.0	-62.13	454.08	9.28	-52.85
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCCC1[N@@H+](C)C1CCN(C)CC1	REAL300013925439	1	66	0.0	-67.04	438.72	8.85	-58.19
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CC(CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925480	0	53	0.0	-71.04	396.63	5.14	-65.90
CC(CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925480	1	53	0.0	-67.50	397.02	5.21	-62.29
CN1CC[NH+](CCC(C)(C)NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013925482	0	56	0.0	-74.62	403.38	4.96	-69.66
C[NH+]1CCN(CCC(C)(C)NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013925482	1	56	0.0	-72.86	403.77	5.06	-67.80
CCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013925487	0	55	0.0	-62.98	412.74	11.18	-51.80
CCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013925487	1	55	0.0	-64.60	412.46	11.20	-53.40
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[N@@H+](C2CCN(C)CC2)C1	REAL300013925488	0	57	0.0	-70.39	408.34	7.05	-63.34
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[N@H+](C2CCN(C)CC2)C1	REAL300013925488	1	57	0.0	-67.85	409.20	6.97	-60.88
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCN(C2CC[NH+](C)CC2)C1	REAL300013925488	1	57	0.0	-71.71	411.15	7.10	-64.61
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3(C2)CC[NH+](CC2=CC=CC=C2)CC3)C1	REAL300013925532	0	59	0.0	-74.68	433.36	11.33	-63.35
CCC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](CC)CC)C=C1	REAL300013925535	0	60	0.0	-63.24	439.54	10.23	-53.01
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1	REAL300013925536	0	55	0.0	-76.85	407.18	4.47	-72.38
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](CC3=CC=CC=C3)C3CCCCC32)C1	REAL300013925544	0	59	0.0	-70.10	423.25	11.62	-58.48
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+](CC3=CC=CC=C3)C3CCCCC32)C1	REAL300013925544	1	59	0.0	-69.98	423.38	11.59	-58.39
C[N@@H+]1CCCC(N2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C1	REAL300013925566	0	54	0.0	-72.99	377.27	6.02	-66.97
C[N@H+]1CCCC(N2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C1	REAL300013925566	1	54	0.0	-73.14	384.14	6.32	-66.82
CC1CCC([NH+]2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013925579	0	55	0.0	-69.57	391.76	9.63	-59.94
CCOCCC[N@@H+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013925581	0	58	0.0	-70.35	430.09	7.90	-62.45
CCOCCC[N@H+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013925581	1	58	0.0	-70.50	425.68	7.38	-63.12
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[N@H+](CCN3CCOCC3)C2)C1	REAL300013925582	0	55	0.0	-75.41	409.72	3.76	-71.65
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013925582	1	55	0.0	-72.47	409.64	3.66	-68.81
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013925586	0	55	0.0	-71.79	404.20	9.18	-62.61
C[NH+](C)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCSC1	REAL300013925597	0	46	0.0	-69.18	343.41	6.00	-63.18
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C3CC4CCC3C4)CC2)C1	REAL300013925606	0	53	0.0	-64.91	375.13	9.48	-55.43
CC[N@@H+]1CCC(N(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1C	REAL300013925608	0	51	0.0	-68.64	367.67	8.46	-60.18
CC[N@H+]1CCC(N(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1C	REAL300013925608	1	51	0.0	-63.71	341.27	7.70	-56.01
C[N@H+](CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=C(F)C=C1	REAL300013925618	0	48	0.0	-75.95	380.34	7.65	-68.30
C[N@@H+](CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=C(F)C=C1	REAL300013925618	1	48	0.0	-75.92	380.39	7.65	-68.27
C[NH+](C)CCCOC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013925619	0	55	0.0	-72.57	409.98	8.19	-64.38
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1	REAL300013925625	0	52	0.0	-70.12	375.32	7.42	-62.70
C[NH+]1CCC(C2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013925628	0	52	0.0	-74.05	383.50	8.73	-65.32
CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925688	0	57	0.0	-74.74	396.90	7.72	-67.02
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC[N@@H+]2C2CCCCC2)C1	REAL300013925708	0	55	0.0	-67.97	388.64	7.64	-60.33
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC[N@H+]2C2CCCCC2)C1	REAL300013925708	1	55	0.0	-64.91	385.31	8.85	-56.06
CC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013925713	0	55	0.0	-70.77	418.83	9.41	-61.36
CC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013925713	1	55	0.0	-70.59	419.01	9.45	-61.14
C[N@@H+]1CCCC2(CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)C1	REAL300013925723	0	49	0.0	-64.82	357.02	8.04	-56.78
C[N@H+]1CCCC2(CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)C1	REAL300013925723	1	49	0.0	-73.74	356.89	7.95	-65.79
CC(C)C1=CC=C(C[NH+]2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300013925728	1	58	0.0	-72.52	431.71	11.50	-61.02
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C1	REAL300013925731	0	51	0.0	-68.64	386.69	7.45	-61.19
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@@H](O)C[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300013925746	0	53	0.0	-75.53	408.23	5.64	-69.89
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@@H](O)C[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300013925746	1	53	0.0	-76.64	408.37	5.54	-71.10
COCC[NH+]1C2CCC1CC(N(C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300013925754	0	56	0.0	-65.92	399.37	7.67	-58.25
C[NH+](C)CCC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(C)(C)C	REAL300013925768	0	53	0.0	-69.90	384.48	7.32	-62.58
CC(C)[N@@H+]1CCOC(CN2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C1	REAL300013925795	0	61	0.0	-69.12	432.44	6.46	-62.66
CC(C)[N@H+]1CCOC(CN2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C1	REAL300013925795	1	61	0.0	-67.83	439.02	6.52	-61.31
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925800	0	55	0.0	-69.79	411.93	10.02	-59.77
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925800	1	55	0.0	-71.34	416.78	9.60	-61.74
C[NH+]1CCC(N(CC2=CC=CC=C2)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013925802	0	55	0.0	-70.44	408.79	11.40	-59.04
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)C1	REAL300013925806	0	56	0.0	-65.85	423.47	6.32	-59.53
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CC3CCOC3)CC2)C1	REAL300013925819	0	50	0.0	-73.93	366.65	6.76	-67.17
CC1=CC(N2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=NC(C)=[NH+]1	REAL300013925821	1	53	0.0	-66.13	408.56	6.39	-59.74
CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013925845	0	60	0.0	-67.90	418.26	7.56	-60.34
CC(C)N1CC[NH+](C2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013925845	1	60	0.0	-70.51	418.77	7.55	-62.96
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3(CC[N@H+](CC4=CC=CC=C4)C3)CC2)C1	REAL300013925858	0	59	0.0	-73.27	432.63	11.57	-61.70
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3(CC[N@@H+](CC4=CC=CC=C4)C3)CC2)C1	REAL300013925858	1	59	0.0	-75.71	431.67	11.55	-64.16
C[N@@H+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013925867	0	52	0.0	-81.50	415.64	9.00	-72.50
C[N@H+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1C1=CC=C(Cl)C(F)=C1	REAL300013925867	1	52	0.0	-76.28	414.67	8.62	-67.66
C[NH+](C)CCOC1=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=N1	REAL300013925868	0	51	0.0	-67.91	405.06	4.80	-63.11
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC1	REAL300013925883	0	55	0.0	-67.80	409.82	10.70	-57.10
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC1	REAL300013925883	1	55	0.0	-67.13	418.23	9.92	-57.21
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1	REAL300013925939	0	58	0.0	-69.02	407.39	8.34	-60.68
C[N@@H+]1CCN(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1(C)C	REAL300013925940	0	53	0.0	-66.21	382.66	4.46	-61.75
C[N@H+]1CCN(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1(C)C	REAL300013925940	1	53	0.0	-66.19	382.70	4.48	-61.71
CSC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013925956	0	52	0.0	-73.00	409.22	8.63	-64.37
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+](C2CC2)C1	REAL300013925958	0	49	0.0	-64.92	357.05	8.75	-56.17
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+](C2CC2)C1	REAL300013925958	1	49	0.0	-61.24	359.33	9.20	-52.04
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013925986	1	56	0.0	-73.19	424.14	7.45	-65.74
CC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013926016	0	55	0.0	-66.33	409.71	9.65	-56.68
CC1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013926016	1	55	0.0	-66.54	397.71	9.73	-56.81
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926019	0	66	0.0	-68.96	466.47	9.18	-59.78
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1	REAL300013926032	0	55	0.0	-69.75	392.17	8.72	-61.03
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926033	0	61	0.0	-74.92	450.57	6.47	-68.45
CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926036	0	57	0.0	-69.92	418.49	8.65	-61.27
COC1CC[NH+](CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926037	0	49	0.0	-69.98	371.11	4.84	-65.14
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1[NH+]1CCOCC1	REAL300013926039	1	50	0.0	-67.32	361.94	6.46	-60.86
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCC1[NH+]1CCN(C)CC1	REAL300013926056	0	57	0.0	-70.59	400.42	7.34	-63.25
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1	REAL300013926059	0	55	0.0	-72.01	401.27	8.43	-63.58
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926076	0	55	0.0	-68.06	405.09	10.81	-57.25
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926076	1	55	0.0	-66.07	400.27	10.95	-55.12
CCCC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CCOC	REAL300013926079	0	55	0.0	-68.03	402.26	7.59	-60.44
CCCC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CCOC	REAL300013926079	1	55	0.0	-67.73	400.38	7.99	-59.74
COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926080	0	61	0.0	-72.21	444.86	9.35	-62.86
COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926080	1	61	0.0	-72.22	444.97	9.33	-62.89
C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926081	0	54	0.0	-72.34	394.63	9.49	-62.85
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1	REAL300013926125	0	53	0.0	-70.02	384.77	7.44	-62.58
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926137	0	54	0.0	-63.94	391.90	8.35	-55.59
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC[N@H+]2CCCO)C1	REAL300013926138	0	49	0.0	-67.64	368.69	2.85	-64.79
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC[N@@H+]2CCCO)C1	REAL300013926138	1	49	0.0	-69.29	369.85	3.42	-65.87
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCC[N@@H+](CCCO)C2)C1	REAL300013926142	0	49	0.0	-73.88	371.28	3.32	-70.56
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCC[N@H+](CCCO)C2)C1	REAL300013926142	1	49	0.0	-70.88	366.99	3.84	-67.04
CC(C)C[N@@H+]1CCOC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013926168	0	52	0.0	-72.98	390.38	5.64	-67.34
CC(C)C[N@H+]1CCOC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013926168	1	52	0.0	-69.78	383.49	5.62	-64.16
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CC3=CC=CC4=CC=CC=C43)CC2)C1	REAL300013926181	0	55	0.0	-73.69	413.80	11.77	-61.92
C[N@@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300013926186	1	49	0.0	-74.97	358.71	8.64	-66.33
C[N@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300013926186	1	49	0.0	-74.35	365.93	9.14	-65.21
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926193	0	51	0.0	-65.44	395.67	10.38	-55.06
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013926196	0	48	0.0	-71.92	377.60	7.62	-64.30
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1	REAL300013926214	0	53	0.0	-63.91	384.42	7.77	-56.14
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013926237	0	45	0.0	-70.30	343.25	5.69	-64.61
CC1CC[NH+](CCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926243	0	51	0.0	-68.99	381.24	7.28	-61.71
C[N@H+](CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013926248	0	51	0.0	-72.04	395.42	8.37	-63.67
C[N@@H+](CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013926248	1	51	0.0	-72.07	395.47	8.38	-63.69
CC[NH+](CC)CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013926260	0	54	0.0	-69.50	413.78	8.98	-60.52
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013926261	0	52	0.0	-78.41	413.91	9.37	-69.04
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926267	0	54	0.0	-61.80	406.70	9.19	-52.61
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300013926268	0	55	0.0	-70.43	419.16	9.48	-60.95
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)C1	REAL300013926308	0	52	0.0	-58.94	393.69	9.67	-49.27
CC[NH+](CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC(OC)=C1	REAL300013926358	0	58	0.0	-61.67	418.85	8.10	-53.57
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CCC3=CC=CC=C3)CC2)C1	REAL300013926362	1	52	0.0	-75.02	394.10	10.43	-64.59
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](CC3=CC=CC=C3)CC2)C1	REAL300013926367	0	52	0.0	-70.74	385.90	10.83	-59.91
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[N@@H+](CC3=CC=CC=C3)CC2)C1	REAL300013926367	1	52	0.0	-71.59	386.00	10.69	-60.90
N#CC1=CC=C(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300013926368	0	53	0.0	-82.23	406.07	11.06	-71.17
N#CC1=CC=C(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300013926368	1	53	0.0	-83.29	406.90	11.13	-72.16
CC1=CC=C(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300013926369	0	55	0.0	-71.34	407.46	11.41	-59.93
CC1=CC=C(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300013926369	1	55	0.0	-70.84	407.29	11.48	-59.36
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](CC3=CC=C(F)C=C3)CC2)C1	REAL300013926382	1	52	0.0	-75.95	391.66	10.77	-65.18
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[N@@H+](CC3=CC=C(F)C=C3)CC2)C1	REAL300013926382	1	52	0.0	-72.77	392.07	10.88	-61.89
COC1=CC=C(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300013926383	0	56	0.0	-73.83	415.55	10.03	-63.80
COC1=CC=C(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300013926383	1	56	0.0	-74.11	414.75	10.00	-64.11
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013926384	1	52	0.0	-74.81	401.98	11.22	-63.59
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[N@@H+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013926384	1	52	0.0	-71.69	402.39	11.33	-60.36
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013926397	1	49	0.0	-63.96	381.80	4.22	-59.74
CC1C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC(C)O1	REAL300013926399	1	55	0.0	-62.22	396.93	6.08	-56.14
C[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013926426	0	53	0.0	-74.63	409.40	6.20	-68.43
CC1C[NH+](CCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC(C)O1	REAL300013926435	0	52	0.0	-71.45	394.06	5.74	-65.71
CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926439	0	51	0.0	-69.72	377.48	7.39	-62.33
CC(C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013926444	1	52	0.0	-65.79	372.85	6.03	-59.76
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013926445	1	51	0.0	-63.35	390.76	6.69	-56.66
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013926446	1	48	0.0	-63.61	375.70	5.77	-57.84
CCC(CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013926449	0	58	0.0	-63.20	407.91	7.52	-55.68
CC(C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013926451	0	56	0.0	-61.94	394.95	5.89	-56.05
CC(C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013926451	1	56	0.0	-67.63	400.00	5.25	-62.38
CC[NH+](CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC(C)C	REAL300013926452	0	56	0.0	-62.90	395.47	7.48	-55.42
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926455	0	52	0.0	-68.74	391.49	9.46	-59.28
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013926459	0	52	0.0	-68.34	395.10	8.72	-59.62
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013926466	0	58	0.0	-64.71	452.42	11.04	-53.67
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013926471	1	55	0.0	-75.07	423.24	7.18	-67.89
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C1	REAL300013926484	0	52	0.0	-70.11	367.35	8.75	-61.36
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1	REAL300013926489	0	49	0.0	-68.66	356.60	8.50	-60.16
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C1	REAL300013926491	0	49	0.0	-69.71	356.73	8.31	-61.40
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013926499	1	49	0.0	-72.20	371.28	9.52	-62.68
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926523	1	58	0.0	-70.31	424.26	9.44	-60.87
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926523	1	58	0.0	-70.19	424.76	9.33	-60.86
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926524	0	55	0.0	-69.08	401.60	11.52	-57.56
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926524	1	55	0.0	-70.94	402.12	11.34	-59.60
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CCC3=CC=CC=C3)CC2)C1	REAL300013926533	0	55	0.0	-75.11	419.28	9.68	-65.43
C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926534	0	53	0.0	-72.20	392.50	4.80	-67.40
CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926534	1	53	0.0	-71.68	393.32	4.69	-66.99
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300013926535	0	51	0.0	-71.48	392.53	7.02	-64.46
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926536	0	55	0.0	-73.43	412.93	9.50	-63.93
CC1CC[NH+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013926538	0	58	0.0	-71.22	440.00	10.09	-61.13
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013926539	0	58	0.0	-68.14	435.90	9.97	-58.17
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013926539	1	58	0.0	-68.13	435.84	9.97	-58.16
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926540	0	58	0.0	-62.94	429.51	10.24	-52.70
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926540	1	58	0.0	-61.86	425.96	10.82	-51.04
CC1C[NH+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC(C)O1	REAL300013926541	0	59	0.0	-73.11	452.89	8.57	-64.54
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013926542	0	58	0.0	-70.15	433.27	10.09	-60.06
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013926542	1	58	0.0	-70.20	433.26	10.09	-60.11
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013926543	0	58	0.0	-64.42	433.68	10.34	-54.08
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013926543	1	58	0.0	-65.76	425.02	10.13	-55.63
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926544	0	54	0.0	-61.87	405.73	9.02	-52.85
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926544	1	54	0.0	-58.75	401.01	9.51	-49.24
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013926545	0	52	0.0	-71.18	407.47	7.40	-63.78
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013926546	0	52	0.0	-72.18	407.74	7.43	-64.75
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013926552	1	56	0.0	-81.58	431.56	7.44	-74.14
CC1CCN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013926555	1	54	0.0	-61.72	411.32	7.09	-54.63
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013926556	1	48	0.0	-61.41	375.67	5.76	-55.65
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013926557	1	49	0.0	-68.15	381.82	4.25	-63.90
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013926560	0	52	0.0	-73.81	397.17	8.85	-64.96
CCN(CC)C1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300013926585	1	50	0.0	-60.33	392.72	7.77	-52.56
C[NH+]1CCN(C2=CC(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=N2)CC1	REAL300013926586	0	53	0.0	-72.12	409.45	6.22	-65.90
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013926587	1	54	0.0	-61.19	402.12	7.01	-54.18
CC1CN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013926588	1	52	0.0	-63.96	403.01	4.97	-58.99
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013926589	1	51	0.0	-61.43	390.73	6.67	-54.76
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013926613	1	49	0.0	-70.45	383.68	4.46	-65.99
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013926614	0	52	0.0	-71.16	402.69	8.79	-62.37
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013926615	0	54	0.0	-67.73	407.57	8.64	-59.09
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926629	0	54	0.0	-64.46	418.12	11.15	-53.31
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926630	0	52	0.0	-77.76	410.76	10.59	-67.17
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013926668	0	58	0.0	-69.15	438.86	8.46	-60.69
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926669	0	58	0.0	-64.06	441.68	8.78	-55.28
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013926671	0	56	0.0	-72.92	426.63	6.84	-66.08
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013926672	0	60	0.0	-69.98	453.45	7.69	-62.29
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013926672	1	60	0.0	-71.44	453.82	7.71	-63.73
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926673	0	60	0.0	-54.62	448.14	8.95	-45.67
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926673	1	60	0.0	-60.81	444.41	8.57	-52.24
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013926675	0	61	0.0	-70.59	453.79	10.61	-59.98
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013926676	0	61	0.0	-60.96	442.97	11.59	-49.37
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)C1	REAL300013926686	1	55	0.0	-65.34	428.87	8.56	-56.78
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013926688	0	52	0.0	-64.51	409.08	10.01	-54.50
C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926689	1	49	0.0	-82.14	377.00	4.84	-77.30
CC[NH+](CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013926693	0	51	0.0	-65.03	390.84	7.61	-57.42
CC(C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013926694	0	57	0.0	-64.18	400.26	9.57	-54.61
CC[NH+](CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013926695	0	57	0.0	-61.69	407.54	9.05	-52.64
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1	REAL300013926696	0	62	0.0	-81.37	459.12	8.31	-73.06
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300013926697	0	49	0.0	-75.05	377.07	7.94	-67.11
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300013926697	1	49	0.0	-75.39	377.74	7.98	-67.41
CN(C)C1=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=[NH+]1	REAL300013926699	0	44	0.0	-61.92	348.79	5.86	-56.06
CN(C)C1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300013926700	1	44	0.0	-61.12	349.10	5.87	-55.25
CCC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013926701	0	55	0.0	-69.44	402.23	10.05	-59.39
CCC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013926701	1	55	0.0	-65.66	402.95	10.02	-55.64
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300013926702	0	54	0.0	-69.85	380.34	8.31	-61.54
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013926704	0	45	0.0	-68.43	359.69	6.57	-61.86
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+]1CCCC(C)C1	REAL300013926705	0	51	0.0	-63.01	370.21	7.07	-55.94
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+]1CCCC(C)C1	REAL300013926705	1	51	0.0	-66.78	371.77	7.43	-59.35
C[N@H+](CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300013926706	0	54	0.0	-68.86	394.81	7.84	-61.02
C[N@@H+](CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300013926706	1	54	0.0	-68.85	394.82	7.84	-61.01
CC1CC(C)C[NH+](CCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013926708	0	54	0.0	-68.10	395.34	7.85	-60.25
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300013926709	0	52	0.0	-73.19	398.59	8.80	-64.39
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300013926709	1	52	0.0	-73.10	398.60	8.80	-64.30
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300013926712	0	52	0.0	-62.25	384.61	9.78	-52.47
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013926714	0	48	0.0	-65.29	365.22	8.50	-56.79
CN1CC[N@H+](CCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300013926738	0	60	0.0	-69.47	439.90	7.00	-62.47
CN1CC[N@@H+](CCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300013926738	1	60	0.0	-69.46	439.92	6.99	-62.47
C[N@@H+]1CCN(CCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300013926738	1	60	0.0	-73.81	445.87	7.67	-66.14
C[N@H+]1CCN(CCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300013926738	1	60	0.0	-73.69	444.94	7.52	-66.17
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300013926739	0	57	0.0	-73.89	429.19	7.57	-66.32
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013926740	0	60	0.0	-71.77	453.53	7.74	-64.03
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013926740	1	60	0.0	-71.73	454.06	7.82	-63.91
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1	REAL300013926741	0	53	0.0	-75.13	384.45	7.58	-67.55
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926747	0	64	0.0	-80.14	470.24	8.59	-71.55
C[NH+](C)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCCC1	REAL300013926797	0	51	0.0	-64.20	356.22	6.72	-57.48
CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926798	0	54	0.0	-69.41	402.74	8.05	-61.36
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926799	0	54	0.0	-66.95	398.57	7.91	-59.04
CC1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013926799	1	54	0.0	-67.51	391.84	7.60	-59.91
CC1CCC[N@H+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013926800	0	54	0.0	-68.44	396.02	8.04	-60.40
CC1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013926800	1	54	0.0	-70.68	396.40	8.06	-62.62
CCN1CC[NH+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926801	0	56	0.0	-69.88	416.50	5.66	-64.22
CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926801	1	56	0.0	-68.57	416.00	5.63	-62.94
CC1CC(C)C[NH+](CCCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013926803	0	57	0.0	-69.30	423.58	8.61	-60.69
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013926820	1	57	0.0	-71.93	421.37	7.30	-64.63
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013926821	1	54	0.0	-75.19	414.12	6.84	-68.35
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300013926823	0	60	0.0	-73.96	450.60	8.24	-65.72
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926824	1	55	0.0	-77.30	418.65	5.26	-72.04
C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013926826	1	56	0.0	-86.01	412.16	8.04	-77.97
C=CC[NH+](CC=C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(C)C	REAL300013926839	0	55	0.0	-59.67	395.44	8.68	-50.99
COC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013926840	0	56	0.0	-64.99	421.65	8.77	-56.22
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300013926841	0	58	0.0	-61.36	398.05	8.55	-52.81
COC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013926842	0	52	0.0	-72.42	398.52	6.91	-65.51
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013926861	0	52	0.0	-63.03	392.68	8.03	-55.00
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013926862	1	45	0.0	-65.60	351.22	6.18	-59.42
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013926866	0	56	0.0	-66.03	385.80	6.85	-59.18
COC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+]2CCCCC2)C=C1	REAL300013926867	0	59	0.0	-71.10	439.07	8.69	-62.41
COC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013926876	0	56	0.0	-71.55	423.94	7.70	-63.85
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CS1	REAL300013926879	0	45	0.0	-66.78	361.40	6.72	-60.06
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013926912	0	49	0.0	-62.83	372.23	6.93	-55.90
CC(C)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013926922	0	51	0.0	-61.06	363.09	7.00	-54.06
COC1=CC=CC=C1C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[NH+]1CCCC1	REAL300013926930	0	56	0.0	-61.37	417.51	8.80	-52.57
CC1CC[NH+](C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013926931	0	55	0.0	-62.66	416.89	8.86	-53.80
CC[NH+](CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013926933	0	54	0.0	-65.10	400.11	9.17	-55.93
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013926934	0	51	0.0	-64.98	381.79	8.96	-56.02
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300013926937	0	48	0.0	-71.15	375.30	7.69	-63.46
CCC1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013926938	0	54	0.0	-68.52	411.34	9.05	-59.47
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013926941	0	57	0.0	-73.59	431.32	6.86	-66.73
C[NH+]1CCN(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013926942	1	54	0.0	-67.79	418.82	6.95	-60.84
CC[NH+](CC)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013926943	0	54	0.0	-62.07	398.78	8.22	-53.85
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)C1	REAL300013926944	0	49	0.0	-62.45	378.04	7.44	-55.01
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013926967	0	49	0.0	-72.69	378.31	8.06	-64.63
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013926967	1	49	0.0	-70.04	380.80	8.21	-61.83
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CC3CCCO3)CC2)C1	REAL300013926972	1	50	0.0	-69.03	369.32	7.01	-62.02
COC1=CC=CC(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)=C1	REAL300013926978	0	56	0.0	-63.78	421.80	8.78	-55.00
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)C1	REAL300013926979	0	52	0.0	-62.64	403.40	9.85	-52.79
C[NH+](C)C(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013926980	1	48	0.0	-65.38	378.17	8.35	-57.03
CC1=CC=CC(C[NH+]2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300013926982	1	52	0.0	-72.07	392.95	10.24	-61.83
CC1=CC=CC=C1C[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013926990	1	52	0.0	-71.08	387.64	10.23	-60.85
C[NH+](C)CC1=CC=CC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013927010	0	48	0.0	-72.55	377.86	7.65	-64.90
C[NH+](C)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCCCC1	REAL300013927052	0	54	0.0	-63.99	362.47	7.92	-56.07
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927065	0	54	0.0	-72.89	417.00	10.54	-62.35
COCC[N@H+](C)CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927075	0	48	0.0	-68.55	369.08	4.62	-63.93
COCC[N@@H+](C)CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927075	1	48	0.0	-68.78	369.10	4.64	-64.14
CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927085	0	56	0.0	-65.03	401.47	10.10	-54.93
COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013927113	0	52	0.0	-68.22	373.58	6.57	-61.65
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)C1	REAL300013927133	0	53	0.0	-73.06	399.47	10.23	-62.83
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)C1	REAL300013927133	1	53	0.0	-69.20	394.95	9.84	-59.36
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300013927141	0	58	0.0	-66.01	411.34	11.27	-54.74
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300013927141	1	58	0.0	-66.56	411.37	11.06	-55.50
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013927148	1	52	0.0	-68.37	383.41	5.61	-62.76
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013927148	1	52	0.0	-65.57	376.61	5.62	-59.95
CCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013927158	0	51	0.0	-66.53	356.21	7.84	-58.69
CC[N@H+](CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300013927185	0	57	0.0	-67.68	408.99	8.24	-59.44
CC[N@@H+](CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300013927185	1	57	0.0	-67.92	408.31	8.17	-59.75
CCCCC[N@H+](CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013927187	0	60	0.0	-69.47	444.96	9.95	-59.52
CCCCC[N@@H+](CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013927187	1	60	0.0	-69.26	444.92	9.95	-59.31
C[N@@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(CC2=CC=CC=C2)C1	REAL300013927188	1	52	0.0	-66.27	386.48	10.01	-56.26
C[N@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(CC2=CC=CC=C2)C1	REAL300013927188	1	52	0.0	-70.47	380.69	9.60	-60.87
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCC[N@@H+]3CCCCC23)C1	REAL300013927208	0	49	0.0	-66.84	360.11	7.22	-59.62
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCC[N@H+]3CCCCC23)C1	REAL300013927208	1	49	0.0	-69.28	360.11	7.24	-62.04
N#CC1=CC=CC(C[NH+]2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300013927211	0	53	0.0	-84.99	418.04	9.24	-75.75
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013927220	1	49	0.0	-72.20	371.28	9.52	-62.68
CC[NH+](CC)CCN(CC1=CC=C(Cl)C=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927258	0	57	0.0	-71.04	442.63	12.06	-58.98
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927272	0	51	0.0	-78.05	394.12	7.15	-70.90
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013927278	0	55	0.0	-76.84	418.64	10.73	-66.11
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013927278	1	55	0.0	-75.98	418.65	10.74	-65.24
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013927281	0	54	0.0	-78.35	411.44	7.70	-70.65
CC[N@@H+]1CCCC(CN(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1C1=CN(C)N=C1	REAL300013927285	0	61	0.0	-73.84	435.24	8.82	-65.02
CC[N@H+]1CCCC(CN(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1C1=CN(C)N=C1	REAL300013927285	1	61	0.0	-73.37	436.38	9.58	-63.79
CCC(CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927287	0	58	0.0	-69.15	426.46	5.91	-63.24
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1	REAL300013927295	0	56	0.0	-70.81	407.48	6.58	-64.23
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C[NH+]=C2N2CCCC2)C1	REAL300013927320	1	48	0.0	-63.94	363.86	6.81	-57.13
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927346	0	58	0.0	-68.99	424.54	11.94	-57.05
CC(C)[C@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927346	1	58	0.0	-68.79	416.52	10.87	-57.92
CC(C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927349	0	51	0.0	-69.71	378.45	7.75	-61.96
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2(C[NH+]3CCN(C4=CC=CC=C4)CC3)CC2)C1	REAL300013927356	0	58	0.0	-75.76	428.08	8.79	-66.97
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[N@@H+](C3CCCCC3)C2)C1	REAL300013927417	0	52	0.0	-69.95	380.03	7.55	-62.40
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[N@H+](C3CCCCC3)C2)C1	REAL300013927417	1	52	0.0	-67.13	380.14	7.54	-59.59
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013927441	0	52	0.0	-69.61	386.79	7.90	-61.71
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013927446	1	57	0.0	-74.12	421.62	6.99	-67.13
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013927446	1	57	0.0	-74.28	421.52	6.96	-67.32
C[NH+](C)CCCC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300013927450	0	52	0.0	-70.49	388.78	7.40	-63.09
O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013927458	1	54	0.0	-67.43	395.16	6.58	-60.85
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](C3CCOC3)CC2)C1	REAL300013927465	0	50	0.0	-73.31	371.85	5.26	-68.05
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CC23CCC3)C1	REAL300013927486	0	59	0.0	-75.41	444.86	10.45	-64.96
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CC23CCC3)C1	REAL300013927486	1	59	0.0	-72.07	442.27	10.19	-61.88
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927522	0	56	0.0	-70.10	419.62	8.09	-62.01
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927522	1	56	0.0	-66.97	419.17	7.94	-59.03
CC(C)[NH+]1CCC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013927525	0	54	0.0	-66.66	394.84	7.69	-58.97
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013927527	0	58	0.0	-72.03	436.71	10.02	-62.01
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013927533	1	49	0.0	-70.19	391.57	6.31	-63.88
CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013927555	0	56	0.0	-71.63	376.31	7.08	-64.55
CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013927568	0	51	0.0	-69.21	349.17	7.85	-61.36
CC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013927582	0	52	0.0	-67.93	360.92	8.15	-59.78
CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013927589	0	55	0.0	-63.87	370.30	8.47	-55.40
C[NH+](C)CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300013927593	0	48	0.0	-70.18	402.20	9.49	-60.69
COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927599	0	55	0.0	-74.37	405.76	8.61	-65.76
C[NH+]1CCC2(CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013927601	0	52	0.0	-71.31	364.30	8.44	-62.87
CC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013927603	0	53	0.0	-70.10	367.88	6.54	-63.56
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013927607	0	49	0.0	-70.01	364.66	3.94	-66.07
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013927607	1	49	0.0	-69.24	366.94	3.75	-65.49
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927617	0	55	0.0	-68.97	422.63	9.31	-59.66
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927617	1	55	0.0	-73.00	416.47	9.25	-63.75
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013927627	0	58	0.0	-71.62	417.54	9.83	-61.79
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013927627	1	58	0.0	-72.05	418.00	10.26	-61.79
C[NH+]1CCC(N2C=C(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013927648	0	49	0.0	-80.06	375.91	6.42	-73.64
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013927710	0	55	0.0	-65.64	409.87	9.70	-55.94
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013927710	1	55	0.0	-63.58	400.83	9.05	-54.53
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013927720	0	55	0.0	-67.28	400.84	9.07	-58.21
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013927720	1	55	0.0	-65.41	409.82	9.70	-55.71
CN1CC[NH+](C2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013927722	0	54	0.0	-70.45	387.40	6.45	-64.00
C[NH+]1CCN(C2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013927722	1	54	0.0	-67.14	384.80	6.37	-60.77
C[N@@H+]1CC2=CC=CC=C2C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927726	1	46	0.0	-67.02	354.27	7.86	-59.16
C[N@H+]1CC2=CC=CC=C2C1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927726	1	46	0.0	-73.06	354.67	6.82	-66.24
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013927734	1	56	0.0	-73.52	419.25	7.72	-65.80
CC1=CC=CC=C1C[N@H+]1CCOC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013927734	1	56	0.0	-74.49	425.99	7.84	-66.65
C[NH+](C)C1(C)CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013927739	0	51	0.0	-70.85	360.28	6.42	-64.43
CC1=CC=C(C[N@@H+]2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)C=C1	REAL300013927759	0	52	0.0	-72.83	400.33	8.77	-64.06
CC1=CC=C(C[N@H+]2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)C=C1	REAL300013927759	1	52	0.0	-70.42	401.87	8.85	-61.57
CO[C@H]1C[C@@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)N(C2=CC(C)=[NH+]C=N2)C1	REAL300013927771	1	54	0.0	-67.64	417.71	4.84	-62.80
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927772	0	58	0.0	-66.45	427.97	11.39	-55.06
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927772	1	58	0.0	-65.45	417.32	11.00	-54.45
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927774	0	57	0.0	-66.62	411.33	10.14	-56.48
CN1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC2=CC=C[NH+]=C21	REAL300013927788	1	45	0.0	-62.35	333.87	5.66	-56.69
CN(CCCC[NH+]1CCCCC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927806	0	54	0.0	-68.50	399.52	9.84	-58.66
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCC[N@H+](CCN3CCOCC3)C2)C1	REAL300013927808	0	58	0.0	-72.47	426.43	4.35	-68.12
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCC[N@@H+](CCN3CCOCC3)C2)C1	REAL300013927808	1	58	0.0	-75.34	422.65	4.90	-70.44
CCC1=CC=C(C[NH+]2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300013927827	1	55	0.0	-72.50	414.38	11.01	-61.49
C[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013927831	0	54	0.0	-72.54	411.33	6.80	-65.74
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013927833	1	52	0.0	-69.17	386.58	10.20	-58.97
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013927834	0	56	0.0	-71.70	390.68	5.39	-66.31
CCC1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013927841	0	58	0.0	-62.99	391.60	9.68	-53.31
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C[C@H](C)O1	REAL300013927856	0	62	0.0	-72.47	442.30	9.64	-62.83
C[C@@H]1C[N@H+](CCC2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C[C@H](C)O1	REAL300013927856	1	62	0.0	-75.95	448.56	9.63	-66.32
C[C@@H]1C[N@@H+](CC2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C[C@H](C)O1	REAL300013927861	0	59	0.0	-72.52	420.67	9.04	-63.48
C[C@@H]1C[N@H+](CC2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C[C@H](C)O1	REAL300013927861	1	59	0.0	-75.09	426.91	9.08	-66.01
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927871	0	58	0.0	-64.21	408.22	11.04	-53.17
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013927871	1	58	0.0	-68.76	427.81	11.41	-57.35
CC1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013927931	0	55	0.0	-64.31	376.62	8.93	-55.38
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCCC1	REAL300013927933	0	61	0.0	-65.88	432.96	10.27	-55.61
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCCC1	REAL300013927933	1	61	0.0	-66.29	433.23	10.29	-56.00
C[C@]12CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300013927935	0	56	0.0	-75.60	422.25	10.78	-64.82
C[C@]12CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300013927935	1	56	0.0	-73.29	421.64	10.64	-62.65
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCOCC1	REAL300013927963	0	59	0.0	-67.37	424.10	7.92	-59.45
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCOCC1	REAL300013927963	1	59	0.0	-70.52	423.56	7.86	-62.66
CCOC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C[NH+](C)C	REAL300013927968	0	48	0.0	-70.23	366.41	4.90	-65.33
CC[N@@H+]1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCOCC1	REAL300013928005	0	52	0.0	-65.44	372.47	7.06	-58.38
CC[N@H+]1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCOCC1	REAL300013928005	1	52	0.0	-64.22	372.77	7.21	-57.01
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCC[N@@H+]3CCSCC23)C1	REAL300013928013	0	47	0.0	-69.57	355.15	7.48	-62.09
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCC[N@H+]3CCSCC23)C1	REAL300013928013	1	47	0.0	-73.10	355.17	7.54	-65.56
CN(C)C1=CC=[NH+]C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300013928035	0	44	0.0	-60.19	350.28	4.72	-55.47
CC1([NH+]2CCCC2)CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013928059	0	55	0.0	-68.39	386.62	7.60	-60.79
CCC1([NH+]2CCC2)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013928063	0	52	0.0	-64.90	361.65	8.45	-56.45
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)CC[C@@H]3C2)C1	REAL300013928068	0	56	0.0	-73.86	413.48	11.26	-62.60
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)CC[C@@H]3C2)C1	REAL300013928068	1	56	0.0	-74.32	413.30	10.75	-63.57
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928080	0	48	0.0	-67.13	357.90	6.36	-60.77
C[NH+](C)CCC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CN=C1	REAL300013928099	0	50	0.0	-72.18	392.15	7.26	-64.92
CC1=CC=C(NCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+]=C1	REAL300013928122	1	44	0.0	-63.23	353.76	4.86	-58.37
CC1=CC=CC(NCCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=[NH+]1	REAL300013928123	1	44	0.0	-61.76	353.70	4.80	-56.96
CC(C)CC1C[N@H+](C)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928133	0	51	0.0	-73.36	368.33	8.95	-64.41
CC(C)CC1C[N@@H+](C)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928133	1	51	0.0	-69.82	359.87	7.90	-61.92
NC1=[NH+]C(C2CC2)=NC(N2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=N1	REAL300013928170	1	52	0.0	-63.48	402.58	9.53	-53.95
NC1=NC(C2CC2)=[NH+]C(N2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)=N1	REAL300013928170	1	52	0.0	-57.51	401.14	9.41	-48.10
CC1([NH+]2CCC2)CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013928238	0	52	0.0	-68.80	367.22	7.38	-61.42
CC[NH+](CC)CC(CC)(CC)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928240	0	56	0.0	-66.99	378.48	8.56	-58.43
C[N@@H+]1CC2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2C1	REAL300013928271	0	49	0.0	-74.29	363.46	6.77	-67.52
C[N@H+]1CC2CCC(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2C1	REAL300013928271	1	49	0.0	-74.26	363.98	6.78	-67.48
CC1([NH+]2CCOCC2)CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013928335	0	56	0.0	-70.26	388.75	6.25	-64.01
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3C2CCC[N@H+]3CCO)C1	REAL300013928343	0	50	0.0	-68.09	364.53	4.94	-63.15
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3C2CCC[N@@H+]3CCO)C1	REAL300013928343	1	50	0.0	-69.52	356.56	4.11	-65.41
CN(C)C1=CC=C(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013928365	0	56	0.0	-69.04	420.54	8.01	-61.03
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928366	0	58	0.0	-71.62	426.72	9.66	-61.96
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928366	1	58	0.0	-75.25	434.11	9.98	-65.27
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300013928404	0	59	0.0	-73.33	437.19	10.30	-63.03
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300013928404	1	59	0.0	-77.48	434.06	10.38	-67.10
C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013928426	1	52	0.0	-70.75	384.25	10.20	-60.55
C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013928426	1	52	0.0	-68.20	388.60	10.03	-58.17
CCC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013928427	0	51	0.0	-68.38	369.60	7.02	-61.36
C[NH+](C)C1CCC2CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2C1	REAL300013928458	0	52	0.0	-73.29	377.53	8.45	-64.84
CCN1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+](CC)CC1	REAL300013928473	0	56	0.0	-66.38	391.32	6.96	-59.42
CCN1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+](CC)CC1	REAL300013928473	1	56	0.0	-69.80	380.57	6.70	-63.10
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013928479	0	48	0.0	-70.50	367.86	4.93	-65.57
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013928491	0	59	0.0	-63.65	417.57	6.06	-57.59
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)C1	REAL300013928496	0	48	0.0	-70.06	361.27	4.72	-65.34
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)C1	REAL300013928496	1	48	0.0	-67.84	353.36	4.49	-63.35
CC[NH+](CC)CCC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013928497	0	57	0.0	-70.38	428.48	10.15	-60.23
CC(CC1CCCC[N@@H+]1C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928507	0	51	0.0	-71.31	375.22	7.38	-63.93
CC(CC1CCCC[N@H+]1C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928507	1	51	0.0	-64.54	368.23	7.21	-57.33
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013928509	0	49	0.0	-69.83	388.03	6.56	-63.27
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C[C@@H]21	REAL300013928518	0	47	0.0	-68.58	347.29	3.78	-64.80
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C[C@@H]21	REAL300013928518	1	47	0.0	-68.73	342.40	4.28	-64.45
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CC2	REAL300013928524	1	48	0.0	-65.84	366.90	7.48	-58.36
CN(CCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928525	1	49	0.0	-70.01	369.29	6.64	-63.37
COC(=O)[C@]12CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C[C@H]1C[N@H+](C)CC2	REAL300013928529	0	52	0.0	-66.37	391.07	8.04	-58.33
COC(=O)[C@]12CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C[C@H]1C[N@@H+](C)CC2	REAL300013928529	1	52	0.0	-80.03	393.36	7.73	-72.30
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC[NH+](C(C)(C)C)CC1	REAL300013928552	0	54	0.0	-65.51	380.18	8.69	-56.82
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCO3)CC2)C1	REAL300013928561	0	53	0.0	-68.91	393.58	6.23	-62.68
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300013928571	1	54	0.0	-71.86	407.70	6.78	-65.08
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC[NH+]2CC3=CC=CC=C3C2)C1	REAL300013928592	1	46	0.0	-73.57	362.60	7.33	-66.24
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC3CCCC(C2)[NH+]3CC2=CC=CC=C2)C1	REAL300013928596	0	59	0.0	-72.81	422.55	9.74	-63.07
CO[C@@H]1C[C@@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[N@H+](CC2=CC=CC=C2)C1	REAL300013928601	0	56	0.0	-65.82	429.58	7.93	-57.89
CO[C@@H]1C[C@@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[N@@H+](CC2=CC=CC=C2)C1	REAL300013928601	1	56	0.0	-67.61	426.60	7.32	-60.29
CC1(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013928605	0	52	0.0	-73.85	393.57	8.36	-65.49
CC1(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013928605	1	52	0.0	-71.28	395.80	8.49	-62.79
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C3CCCC3O)CC2)C1	REAL300013928628	0	50	0.0	-61.71	362.30	5.80	-55.91
CC1C[N@H+](CC2CN(C)CCO2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928641	1	58	0.0	-69.87	419.87	6.03	-63.84
CC1C[N@@H+](CC2CN(C)CCO2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928641	1	58	0.0	-65.99	417.69	5.73	-60.26
CC1CN(CC2C[N@H+](C)CCO2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928641	1	58	0.0	-70.77	418.97	5.89	-64.88
CC1CN(CC2C[N@@H+](C)CCO2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928641	1	58	0.0	-71.46	411.71	5.46	-66.00
C[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)(C2=CC=CC=C2)CC1	REAL300013928649	0	55	0.0	-73.75	403.77	8.87	-64.88
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC([N@@H+]3CCC(O)C3)CC2)C1	REAL300013928669	0	50	0.0	-71.98	367.63	4.94	-67.04
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC([N@H+]3CCC(O)C3)CC2)C1	REAL300013928669	1	50	0.0	-69.05	366.40	4.84	-64.21
CC1C[N@@H+]2CCCCC2CN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928685	0	49	0.0	-67.83	352.74	8.45	-59.38
CC1C[N@H+]2CCCCC2CN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928685	1	49	0.0	-67.28	352.70	8.44	-58.84
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCCC([NH+]3CCOCC3)CC2)C1	REAL300013928709	0	53	0.0	-72.19	374.92	7.37	-64.82
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013928712	1	52	0.0	-69.40	387.66	9.91	-59.49
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013928712	1	52	0.0	-70.50	383.91	10.17	-60.33
CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013928713	0	51	0.0	-70.20	371.18	8.20	-62.00
COCC(COC)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013928722	1	53	0.0	-66.83	390.83	6.77	-60.06
CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928733	0	52	0.0	-70.74	392.18	4.40	-66.34
C[N@H+]1CC2=CC=CC=C2C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013928734	1	46	0.0	-76.85	351.01	7.49	-69.36
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013928734	1	46	0.0	-74.91	351.49	7.01	-67.90
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CCC3=CC=C(F)C=C3)CC2)C1	REAL300013928737	1	52	0.0	-79.91	400.08	10.44	-69.47
C[NH+](C)CCN1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1=O	REAL300013928770	0	49	0.0	-73.06	372.80	6.40	-66.66
CC(C)C1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013928776	0	58	0.0	-64.08	419.85	11.18	-52.90
CC(C)C1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013928776	1	58	0.0	-70.55	411.99	10.98	-59.57
C[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)(N2CCOCC2)CC1	REAL300013928795	0	58	0.0	-72.89	403.34	4.54	-68.35
CC[NH+]1CCC(N2CCCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013928798	0	60	0.0	-66.70	420.97	8.76	-57.94
CCN1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013928798	1	60	0.0	-63.41	418.38	8.38	-55.03
CCN1CCC([N@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013928798	1	60	0.0	-70.48	416.89	8.25	-62.23
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCCC([NH2+]C3CCOCC3)C2)C1	REAL300013928821	0	53	0.0	-74.64	384.13	5.84	-68.80
C[NH+](C)CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300013928822	0	51	0.0	-67.79	410.55	8.86	-58.93
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC[N@H+](CC3CC3)C2)C1	REAL300013928832	0	52	0.0	-69.45	384.29	8.06	-61.39
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC[N@@H+](CC3CC3)C2)C1	REAL300013928832	1	52	0.0	-70.87	391.18	8.19	-62.68
COC(=O)C1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@H+](C)C1	REAL300013928871	0	48	0.0	-73.15	359.65	7.43	-65.72
COC(=O)C1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC[N@@H+](C)C1	REAL300013928871	1	48	0.0	-64.16	361.30	7.22	-56.94
CO[C@H]1C[C@@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[N@H+](CC2=CC=CC=C2)C1	REAL300013928873	0	56	0.0	-71.74	432.51	7.68	-64.06
CO[C@H]1C[C@@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[N@@H+](CC2=CC=CC=C2)C1	REAL300013928873	1	56	0.0	-70.42	426.34	7.31	-63.11
CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013928877	0	57	0.0	-70.41	412.70	6.91	-63.50
COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@@H]1C	REAL300013928930	0	52	0.0	-63.32	371.13	6.81	-56.51
COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@@H]1C	REAL300013928930	1	52	0.0	-66.70	371.28	6.26	-60.44
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928983	0	49	0.0	-67.46	380.13	6.88	-60.58
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013928984	0	55	0.0	-65.63	412.66	5.52	-60.11
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300013928987	0	48	0.0	-69.58	388.78	6.76	-62.82
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC3=CC=C[NH+]=C3N3C[C@H](O)C[C@H]3C2)C1	REAL300013929001	1	50	0.0	-63.45	373.63	4.45	-59.00
CO[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC3=CC=C[NH+]=C3N2C1	REAL300013929002	1	53	0.0	-60.33	396.02	7.04	-53.29
COC1CC2CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC3=CC=C[NH+]=C3N2C1	REAL300013929012	1	53	0.0	-61.39	396.35	6.97	-54.42
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC3=CC=C[NH+]=C3N3CCC[C@@H]3C2)C1	REAL300013929024	1	49	0.0	-57.90	363.16	7.99	-49.91
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC3=CC=C[NH+]=C3N3CCC[C@H]3C2)C1	REAL300013929025	1	49	0.0	-61.56	363.35	8.03	-53.53
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013929030	0	49	0.0	-76.85	374.12	2.27	-74.58
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013929030	1	49	0.0	-74.38	379.93	2.69	-71.69
C[N@@H+]1C[C@@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@H](C2=CC=CC=C2)C1	REAL300013929036	0	52	0.0	-75.27	399.63	8.58	-66.69
C[N@H+]1C[C@@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@H](C2=CC=CC=C2)C1	REAL300013929036	1	52	0.0	-72.87	400.92	8.55	-64.32
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013929042	0	59	0.0	-73.69	456.67	8.73	-64.96
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013929042	1	59	0.0	-69.47	456.74	8.68	-60.79
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCC[N@@H+]1C1CC1	REAL300013929062	0	59	0.0	-71.75	433.26	8.81	-62.94
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCC[N@H+]1C1CC1	REAL300013929062	1	59	0.0	-72.05	435.84	9.56	-62.49
C[NH+](C)CC1=C2CN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCN2N=C1	REAL300013929070	0	49	0.0	-72.32	376.34	7.08	-65.24
O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(F)(F)F)C1	REAL300013929083	1	52	0.0	-75.28	418.62	9.02	-66.26
O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(F)(F)F)C1	REAL300013929083	1	52	0.0	-78.16	417.59	8.95	-69.21
C[NH+]1CC23CN(C(=O)N[C@H]4CC[C@@H](C(=O)[O-])C4)CC2(C1)CCCC3	REAL300013929151	0	53	0.0	-75.70	377.01	8.53	-67.17
C[NH+](C)CC1=CC=C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300013929190	0	45	0.0	-72.67	368.42	6.91	-65.76
CC(C)[NH+]1CCN(C2(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCCC2)CC1	REAL300013929227	0	63	0.0	-64.48	442.52	7.12	-57.36
CC(C)N1CC[NH+](C2(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCCC2)CC1	REAL300013929227	1	63	0.0	-60.50	432.68	6.55	-53.95
COCC(C)(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)N1CC[NH+](C(C)C)CC1	REAL300013929231	0	63	0.0	-65.57	444.29	5.76	-59.81
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1	REAL300013929244	0	50	0.0	-68.23	365.67	5.37	-62.86
C[NH+]1CCN(C2=CC=C(CCNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013929246	0	57	0.0	-73.71	432.83	7.58	-66.13
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3CC[N@H+](CC4=CC=CC=C4)C32)C1	REAL300013929281	0	53	0.0	-59.86	393.29	10.75	-49.11
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC3CC[N@@H+](CC4=CC=CC=C4)C32)C1	REAL300013929281	1	53	0.0	-61.20	397.65	10.84	-50.36
COC(=O)C1CC([NH+](C)C)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013929298	0	51	0.0	-69.17	384.37	7.74	-61.43
CC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013929304	1	50	0.0	-67.94	361.56	6.04	-61.90
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300013929312	0	51	0.0	-66.13	381.97	10.26	-55.87
CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013929374	1	55	0.0	-75.63	415.99	8.63	-67.00
CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300013929374	1	55	0.0	-76.66	425.47	9.38	-67.28
C[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=CC=C1	REAL300013929382	0	49	0.0	-68.37	370.71	7.46	-60.91
C[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=CC=C1	REAL300013929382	1	49	0.0	-71.08	378.81	8.25	-62.83
CC[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013929395	0	51	0.0	-72.70	369.16	8.78	-63.92
CC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013929395	1	51	0.0	-72.91	369.27	8.78	-64.13
C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300013929410	0	58	0.0	-68.07	416.36	9.08	-58.99
C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300013929410	1	58	0.0	-68.11	416.09	9.21	-58.90
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300013929425	0	49	0.0	-66.91	348.86	6.47	-60.44
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300013929425	1	49	0.0	-69.46	350.13	6.36	-63.10
C[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300013929432	1	49	0.0	-71.91	387.45	7.98	-63.93
C[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300013929432	1	49	0.0	-74.68	395.51	8.78	-65.90
COC1=CC=CC([C@@H]2[C@@H](NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC[N@@H+]2C2CC2)=C1	REAL300013929440	0	57	0.0	-66.05	432.92	8.22	-57.83
COC1=CC=CC([C@@H]2[C@@H](NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC[N@H+]2C2CC2)=C1	REAL300013929440	1	57	0.0	-69.44	436.39	8.83	-60.61
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013929473	0	58	0.0	-71.51	422.36	8.65	-62.86
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013929473	1	58	0.0	-71.82	416.55	8.04	-63.78
C[N@@H+]1CCC2=C(C=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C(=O)N2)C1	REAL300013929496	0	49	0.0	-92.67	384.32	4.87	-87.80
C[N@H+]1CCC2=C(C=C(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C(=O)N2)C1	REAL300013929496	1	49	0.0	-92.56	384.33	4.87	-87.69
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300013929502	1	48	0.0	-61.00	366.62	7.68	-53.32
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300013929526	1	48	0.0	-61.00	366.62	7.68	-53.32
CCC[N@@H+]1CCCCC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013929528	0	51	0.0	-66.55	371.93	7.43	-59.12
CCC[N@H+]1CCCCC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013929528	1	51	0.0	-62.78	372.48	7.52	-55.26
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC(NC3=CC=[NH+]C=C3Cl)CC2)C1	REAL300013929543	1	48	0.0	-71.53	382.18	7.26	-64.27
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013929577	1	50	0.0	-72.17	361.48	6.56	-65.61
C[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C=C1	REAL300013929612	0	49	0.0	-72.85	377.12	7.52	-65.33
C[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H]1C1=CC=C(F)C=C1	REAL300013929612	1	49	0.0	-75.52	385.19	8.33	-67.19
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)C1	REAL300013929637	0	50	0.0	-67.51	357.95	8.76	-58.75
CC1=C[NH+]=CC=C1N1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013929645	0	48	0.0	-69.16	367.70	7.11	-62.05
CCCC1=[NH+]C=CN1CCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013929694	1	49	0.0	-66.39	384.87	7.62	-58.77
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC34CCCC3(C2)C[NH+](CC2=CC=CC=C2)C4)C1	REAL300013929703	0	60	0.0	-80.64	440.38	11.56	-69.08
C[NH+]1CC23CCCC2(CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C3)C1	REAL300013929713	0	50	0.0	-63.19	362.94	7.91	-55.28
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)C1	REAL300013929719	0	49	0.0	-65.95	387.09	7.80	-58.15
C[NH+]1CCN(C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=C(F)C=C2)CC1	REAL300013929791	0	57	0.0	-69.44	426.11	7.80	-61.64
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C1	REAL300013929795	0	59	0.0	-66.63	433.66	9.97	-56.66
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)C1	REAL300013929795	1	59	0.0	-66.66	433.91	10.04	-56.62
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCCN2C=[NH+]C3=C2CCCC3)C1	REAL300013929827	1	50	0.0	-65.50	389.03	8.82	-56.68
O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1	REAL300013929847	0	52	0.0	-69.45	380.34	7.79	-61.66
O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)C1	REAL300013929847	1	52	0.0	-70.62	376.29	8.23	-62.39
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCC3)C2)C1	REAL300013929854	0	56	0.0	-66.26	418.63	9.50	-56.76
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)C1	REAL300013929854	1	56	0.0	-66.98	420.25	9.43	-57.55
CCC1=[NH+]C=CN1CC(C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013929874	1	46	0.0	-60.48	366.45	6.97	-53.51
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300013929877	0	58	0.0	-71.75	417.89	11.33	-60.42
CC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300013929877	1	58	0.0	-67.66	426.11	12.03	-55.63
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](CC3=CC=CC=C3)C(C3CCC3)C2)C1	REAL300013929888	0	59	0.0	-68.60	426.60	11.88	-56.72
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+](CC3=CC=CC=C3)C(C3CCC3)C2)C1	REAL300013929888	1	59	0.0	-72.23	427.94	11.82	-60.41
CC[N@@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCOC2	REAL300013929959	1	50	0.0	-71.30	352.69	5.95	-65.35
CC[N@H+]1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCOC2	REAL300013929959	1	50	0.0	-66.78	355.67	6.04	-60.74
O=C(N[C@H]1CC[C@@H](C(=O)[O-])C1)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300013929993	0	47	0.0	-68.79	355.98	4.62	-64.17
CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013930001	0	61	0.0	-71.62	462.69	9.79	-61.83
CCOCC[N@@H+](C)CC(CC1=CC=CC=C1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013930001	1	61	0.0	-74.68	459.00	9.13	-65.55
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013930007	0	55	0.0	-62.56	403.67	11.09	-51.47
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300013930050	0	48	0.0	-68.88	366.55	6.35	-62.53
CC(C)(C)[N@@H+]1CCCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013930057	0	51	0.0	-66.43	363.17	7.17	-59.26
CC(C)(C)[N@H+]1CCCC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013930057	1	51	0.0	-63.00	363.19	7.16	-55.84
CN(C)C1=CC=C(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300013930091	1	47	0.0	-62.79	370.59	6.65	-56.14
C[N@@H+]1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCCC2	REAL300013930092	0	49	0.0	-64.93	357.25	6.51	-58.42
C[N@H+]1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCCC2	REAL300013930092	1	49	0.0	-63.66	360.58	6.91	-56.75
C[N@@H+]1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCOCC2	REAL300013930137	0	50	0.0	-64.89	363.02	4.54	-60.35
C[N@H+]1CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCOCC2	REAL300013930137	1	50	0.0	-67.64	362.91	4.59	-63.05
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)C1	REAL300013930154	1	53	0.0	-61.32	376.94	7.55	-53.77
CC1=CC=C(C[NH+]2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C=C1	REAL300013930158	1	52	0.0	-72.49	392.89	10.25	-62.24
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013930167	0	49	0.0	-63.09	354.33	4.37	-58.72
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013930167	1	49	0.0	-63.79	351.49	4.80	-58.99
CC(C)[N@H+](C)C1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013930178	0	51	0.0	-68.98	360.24	8.06	-60.92
CC(C)[N@@H+](C)C1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013930178	1	51	0.0	-68.75	360.39	8.10	-60.65
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)C1	REAL300013930184	0	55	0.0	-65.66	393.33	8.45	-57.21
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC[N@H+](C3CCCC3)C2)C1	REAL300013930184	1	55	0.0	-67.87	393.68	8.48	-59.39
C[NH+](C)CCC1CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300013930196	0	49	0.0	-70.29	367.28	6.60	-63.69
CC(CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013930220	1	50	0.0	-61.41	387.30	7.23	-54.18
CN(C)C1=CC=C(C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300013930223	1	53	0.0	-60.25	399.95	7.68	-52.57
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300013930239	1	44	0.0	-59.94	338.96	6.85	-53.09
CCCC1=[NH+]C=CN1C1CCCN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013930303	1	53	0.0	-63.16	401.67	10.07	-53.09
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCCC3=[NH+]C=CN32)C1	REAL300013930350	1	44	0.0	-59.94	338.96	6.85	-53.09
CC1(C)CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013930398	0	55	0.0	-63.50	411.36	8.85	-54.65
CC1(C)CC(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013930398	1	55	0.0	-66.75	412.85	8.89	-57.86
C[NH+](C)CC1=CC=C(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300013930423	0	51	0.0	-73.61	399.43	8.43	-65.18
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013930429	0	55	0.0	-73.05	406.46	9.43	-63.62
O=C([O-])[C@@H]1CC[C@H](NC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013930429	1	55	0.0	-70.25	406.20	9.32	-60.93
C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C[C@H](C)O1	REAL300013930500	0	56	0.0	-72.15	404.65	8.09	-64.06
C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C[C@H](C)O1	REAL300013930500	1	56	0.0	-68.96	396.70	7.99	-60.97
CC1=CC=CC2=NC(CCNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=CN21	REAL300013930535	1	51	0.0	-44.59	401.56	8.01	-36.58
O=C([O-])C[NH+]1CCC(NC(=O)NCCS(=O)(=O)CC(F)(F)F)CC1	REAL300013930611	1	44	0.0	-52.14	374.30	2.20	-49.94
C=CCCSCCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013930678	1	46	0.0	-36.95	373.35	6.69	-30.26
O=C([O-])C[NH+]1CCC(NC(=O)NCC(F)(F)C2=CC=CC(F)=C2)CC1	REAL300013930746	1	45	0.0	-40.59	370.96	7.24	-33.35
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(C3=CC=CS3)C=C2)CC1	REAL300013930822	1	49	0.0	-40.83	400.51	8.89	-31.94
COC1=CC(C)=CC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013930909	1	52	0.0	-39.31	405.56	7.00	-32.31
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013930980	1	51	0.0	-36.62	382.44	8.08	-28.54
COC1=CC=CC(OC)=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013931051	1	50	0.0	-38.20	389.06	4.95	-33.25
O=C([O-])C[NH+]1CCC(NC(=O)NCC(OC2CCCC2)C(F)(F)F)CC1	REAL300013931140	1	52	0.0	-41.58	408.67	6.48	-35.10
CC1=CC=NC=C1CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013931198	1	47	0.0	-44.27	365.30	5.73	-38.54
CCN1C=C([C@@H]2OCCC[C@H]2CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013931265	1	59	0.0	-43.58	448.03	6.47	-37.11
C[C@H]1CC[C@@](C)(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1(C)C	REAL300013931328	1	57	0.0	-39.13	397.00	7.72	-31.41
CC1CC(C)CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013931387	1	54	0.0	-35.32	388.24	7.62	-27.70
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2=CC=NC3=CC=CC=C23)CC1	REAL300013931455	1	50	0.0	-46.84	392.58	7.30	-39.54
CSCC1(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013931552	1	49	0.0	-36.21	388.51	7.15	-29.06
O=C([O-])C[NH+]1CCC(NC(=O)NCCOC2CC2(F)F)CC1	REAL300013931610	1	43	0.0	-40.35	352.07	4.27	-36.08
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(OC3CC3)=C2F)CC1	REAL300013931687	1	50	0.0	-40.20	399.30	7.26	-32.94
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C3OC=CC3=C2)CC1	REAL300013931758	1	45	0.0	-38.43	360.53	6.60	-31.83
CC1(C)CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC(C)(C)C1	REAL300013931828	1	60	0.0	-35.02	425.96	8.55	-26.47
CCN1C=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)N=N1	REAL300013931907	1	44	0.0	-41.24	350.97	3.56	-37.68
CC1=CC=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=C1C	REAL300013931960	1	51	0.0	-41.90	393.06	8.25	-33.65
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3(CCCC3)CC2)CC1	REAL300013932028	1	55	0.0	-35.42	393.43	8.11	-27.31
C[C@H](COC1=C(F)C=CC=C1F)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013932101	1	49	0.0	-41.43	398.38	7.06	-34.37
C[C@@H](COC1=C(F)C=CC=C1F)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013932176	1	49	0.0	-37.19	398.39	7.06	-30.13
COC1=CC=C(C2=NOC(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)=C2)C=C1	REAL300013932257	1	52	0.0	-40.32	417.16	6.69	-33.63
CC1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CS1(=O)=O	REAL300013932323	1	48	0.0	-42.92	367.25	3.68	-39.24
COC(=O)C1=NC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1Cl	REAL300013932399	1	47	0.0	-41.50	396.43	5.42	-36.08
COC1=CC=C(N2CC(NC(=O)NC3CC[NH+](CC(=O)[O-])CC3)CC2=O)C=C1	REAL300013932468	1	54	0.0	-43.83	418.34	6.05	-37.78
COC1CS(=O)(=O)CC1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013932534	1	46	0.0	-43.85	368.12	0.85	-43.00
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=C(F)C=C3)CC2)CCCC1	REAL300013932611	0	55	0.0	-71.43	420.36	9.69	-61.74
CC1=[NH+]C=CN1CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013932615	1	46	0.0	-62.04	362.92	7.11	-54.93
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CCCC1	REAL300013932619	0	52	0.0	-64.42	386.63	8.26	-56.16
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)C[NH+]1CCCC1	REAL300013932624	0	51	0.0	-63.86	376.94	7.53	-56.33
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3CC3)CC2)CCCC1	REAL300013932627	0	49	0.0	-64.20	356.95	8.64	-55.56
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013932628	0	54	0.0	-49.32	413.33	11.06	-38.26
CCCC[N@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013932634	0	60	0.0	-70.55	429.24	11.10	-59.45
CCCC[N@@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013932634	1	60	0.0	-70.86	429.32	11.07	-59.79
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013932639	0	54	0.0	-60.35	413.43	11.05	-49.30
CC1=CC=C(CN(CC[NH+](C)C)C(=O)NCC2(C(=O)[O-])CCCC2)O1	REAL300013932640	0	54	0.0	-52.98	416.33	10.16	-42.82
CC(C)[N@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013932642	0	57	0.0	-70.76	403.11	10.07	-60.69
CC(C)[N@@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013932642	1	57	0.0	-68.37	403.04	10.06	-58.31
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CO1	REAL300013932647	0	54	0.0	-57.36	394.57	7.97	-49.39
C[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300013932650	0	51	0.0	-65.67	390.96	8.37	-57.30
C[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300013932650	1	51	0.0	-65.96	390.97	8.37	-57.59
O=C([O-])C1(CNC(=O)NCC[N@@H+]2CCC3=C(C=CS3)C2)CCCC1	REAL300013932652	1	49	0.0	-66.86	384.78	7.90	-58.96
O=C([O-])C1(CNC(=O)NCC[N@H+]2CCC3=C(C=CS3)C2)CCCC1	REAL300013932652	1	49	0.0	-66.86	384.78	7.90	-58.96
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013932674	0	54	0.0	-57.65	395.56	8.49	-49.16
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013932674	1	54	0.0	-62.45	395.56	8.49	-53.96
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013932677	0	60	0.0	-54.60	415.29	8.97	-45.63
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013932678	0	57	0.0	-62.45	416.33	9.09	-53.36
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013932679	0	57	0.0	-53.83	401.31	8.37	-45.46
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013932679	1	57	0.0	-57.04	400.96	8.40	-48.64
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013932681	0	55	0.0	-63.05	411.97	9.46	-53.59
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013932681	1	55	0.0	-62.15	410.91	9.60	-52.55
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013932711	0	58	0.0	-73.28	432.02	6.91	-66.37
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013932712	1	49	0.0	-60.72	379.80	7.88	-52.84
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013932721	0	62	0.0	-67.93	434.03	6.66	-61.27
O=C([O-])C1(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCCC1	REAL300013932739	0	61	0.0	-56.26	421.88	12.19	-44.07
O=C([O-])C1(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCC1	REAL300013932739	1	61	0.0	-55.21	424.60	12.03	-43.18
CC(C)(C)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013932745	0	51	0.0	-58.53	359.22	8.11	-50.42
CC(C)(C)CC[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013932751	0	57	0.0	-63.18	406.21	9.76	-53.42
C[NH+](C)CCC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013932756	0	54	0.0	-71.87	390.38	9.49	-62.38
CCC[N@@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013932769	0	51	0.0	-64.55	381.23	7.34	-57.21
CCC[N@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013932769	1	51	0.0	-65.78	380.94	7.34	-58.44
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300013932776	0	58	0.0	-69.79	433.84	10.31	-59.48
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCCC3)=C2)CCO1	REAL300013932777	1	59	0.0	-72.27	442.05	8.57	-63.70
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCCC3)=C2)CCO1	REAL300013932777	1	59	0.0	-72.51	448.74	8.60	-63.91
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCC1	REAL300013932781	0	61	0.0	-67.28	435.53	10.04	-57.24
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013932793	0	55	0.0	-67.52	423.44	8.22	-59.30
O=C([O-])C1(CNC(=O)NCC2CCC[N@H+](CC3=CC=CS3)C2)CCCC1	REAL300013932794	0	55	0.0	-65.22	417.33	9.43	-55.79
O=C([O-])C1(CNC(=O)NCC2CCC[N@@H+](CC3=CC=CS3)C2)CCCC1	REAL300013932794	1	55	0.0	-66.86	424.65	9.46	-57.40
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=CS3)CC2)CCCC1	REAL300013932795	0	55	0.0	-68.62	424.62	9.48	-59.14
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013932803	1	55	0.0	-73.36	411.09	6.35	-67.01
CCOCC[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013932809	1	52	0.0	-59.54	384.37	7.56	-51.98
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300013932819	0	54	0.0	-61.95	403.17	9.37	-52.58
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300013932819	1	54	0.0	-63.58	403.13	9.36	-54.22
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013932824	0	60	0.0	-54.48	419.57	9.02	-45.46
CCC1CCC[N@H+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013932824	1	60	0.0	-54.64	410.30	9.05	-45.59
CC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013932826	0	51	0.0	-58.14	364.65	7.62	-50.52
CC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013932826	1	51	0.0	-62.61	364.08	6.90	-55.71
O=C([O-])C1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCCC1	REAL300013932836	0	57	0.0	-67.59	420.44	9.01	-58.58
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=C(F)C=C1	REAL300013932846	0	51	0.0	-66.56	392.01	8.47	-58.09
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)CCCC1	REAL300013932852	1	55	0.0	-79.97	426.31	9.69	-70.28
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCCCC1	REAL300013932859	0	51	0.0	-56.29	366.65	7.31	-48.98
CC(C)(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013932864	0	54	0.0	-60.85	384.27	7.46	-53.39
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)C[NH+]1CCCCC1	REAL300013932865	0	54	0.0	-65.33	393.08	8.27	-57.06
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013932888	0	56	0.0	-65.76	428.61	7.12	-58.64
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)C=C1	REAL300013932890	0	58	0.0	-59.22	433.98	10.29	-48.93
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCC(C)CC1	REAL300013932891	0	54	0.0	-59.34	387.43	7.93	-51.41
CC[NH+]1CCN(C2=CC(CNC(=O)NCC3(C(=O)[O-])CCCC3)=CC=N2)CC1	REAL300013932900	0	59	0.0	-66.96	443.95	7.67	-59.29
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)CCCC1	REAL300013932903	0	61	0.0	-70.56	445.55	10.44	-60.12
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)CCCC1	REAL300013932904	0	61	0.0	-70.96	445.49	10.43	-60.53
CN1CC[N@H+](C)CC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013932915	0	50	0.0	-68.48	362.06	4.21	-64.27
CN1CC[N@@H+](C)CC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013932915	1	50	0.0	-63.16	362.08	4.20	-58.96
O=C([O-])C1(CNC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)CCCC1	REAL300013932919	0	59	0.0	-70.23	448.06	9.48	-60.75
CC(C)[NH2+]C1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013932920	0	51	0.0	-63.60	366.88	7.28	-56.32
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013932925	1	55	0.0	-67.84	403.29	10.85	-56.99
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013932925	1	55	0.0	-62.98	405.18	11.11	-51.87
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)NCC3(C(=O)[O-])CCCC3)CC2)=N1	REAL300013932933	1	60	0.0	-71.65	453.92	6.85	-64.80
CC1CC[NH+](C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C2=CC=CC=C2)CC1	REAL300013932939	0	61	0.0	-62.42	448.17	10.90	-51.52
CC1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)([NH+](C)C)C1	REAL300013932947	0	57	0.0	-62.24	394.06	8.13	-54.11
O=C([O-])C1(CNC(=O)N2CC[NH+](CCC3=CC=CS3)CC2)CCCC1	REAL300013932971	1	52	0.0	-68.87	401.06	10.24	-58.63
CCCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013932979	0	54	0.0	-66.66	397.65	8.22	-58.44
CN1CCC([NH+]2CCC(NC(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013932984	0	60	0.0	-65.54	425.79	6.31	-59.23
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCCC1	REAL300013933022	0	59	0.0	-61.13	414.94	9.08	-52.05
O=C([O-])C1(CNC(=O)NCC[NH+]2CCSCC2)CCCC1	REAL300013933031	1	46	0.0	-66.13	354.85	6.42	-59.71
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)CCCC1	REAL300013933044	0	61	0.0	-57.80	437.55	11.36	-46.44
O=C([O-])C1(CNC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)CCCC1	REAL300013933080	1	59	0.0	-69.11	442.17	4.78	-64.33
O=C([O-])C1(CNC(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)CCCC1	REAL300013933101	0	57	0.0	-75.25	431.39	8.72	-66.53
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933111	0	60	0.0	-66.02	420.89	9.99	-56.03
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933111	1	60	0.0	-68.94	435.58	11.63	-57.31
CC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933115	0	51	0.0	-66.80	374.99	7.40	-59.40
O=C([O-])C1(CNC(=O)N2CC[NH+](C3CC4=CC=CC=C4C3)CC2)CCCC1	REAL300013933127	0	56	0.0	-68.66	412.63	11.50	-57.16
CC([NH2+]C(C)(C)CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013933135	0	57	0.0	-62.50	415.75	8.46	-54.04
CC([NH2+]C1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCCC1)C1=CC=CC=C1	REAL300013933136	0	61	0.0	-62.46	442.24	9.46	-53.00
CCC(CC)(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013933137	0	63	0.0	-61.73	440.47	9.18	-52.55
CCC1CCCC[N@@H+]1CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933140	0	54	0.0	-60.62	384.28	7.44	-53.18
CCC1CCCC[N@H+]1CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933140	1	54	0.0	-60.15	390.86	7.76	-52.39
O=C([O-])C1(CNC(=O)N2CC[NH+](C3CCC3)CC2)CCCC1	REAL300013933144	0	49	0.0	-59.91	358.37	8.74	-51.17
CN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013933147	0	58	0.0	-70.40	426.62	11.62	-58.78
O=C([O-])C1(CNC(=O)N2CCC[N@H+](CCCC3=CC=CC=C3)CC2)CCCC1	REAL300013933157	0	61	0.0	-67.26	444.74	13.17	-54.09
O=C([O-])C1(CNC(=O)N2CCC[N@@H+](CCCC3=CC=CC=C3)CC2)CCCC1	REAL300013933157	1	61	0.0	-68.42	444.78	13.40	-55.02
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)O1	REAL300013933197	0	55	0.0	-54.79	411.17	8.55	-46.24
COCCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933221	0	55	0.0	-66.95	409.81	6.51	-60.44
COCC[N@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933223	0	48	0.0	-62.38	364.63	4.62	-57.76
COCC[N@@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933223	1	48	0.0	-63.73	364.65	4.63	-59.10
CCC[NH+]1CCC(N(C)C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933227	0	54	0.0	-67.51	389.53	9.51	-58.00
CN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CC[NH+](CCC2=CC=CC=N2)CC1	REAL300013933228	0	60	0.0	-70.81	443.63	10.75	-60.06
CN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013933229	0	60	0.0	-77.05	444.32	10.78	-66.27
O=C([O-])C1(CNC(=O)N2CCC([NH+]3CCCC3)C2)CCCC1	REAL300013933233	0	49	0.0	-64.53	363.73	8.34	-56.19
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933239	0	61	0.0	-75.84	445.31	12.46	-63.38
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933239	1	61	0.0	-72.34	445.39	12.47	-59.87
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933249	0	57	0.0	-68.55	427.44	11.58	-56.97
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013933250	0	58	0.0	-80.66	452.19	6.90	-73.76
O=C([O-])C1(CNC(=O)N2CCCC2C[NH+]2CCCC2)CCCC1	REAL300013933267	0	52	0.0	-62.81	379.47	9.13	-53.68
C[NH+]1CCN(CC(NC(=O)NCC2(C(=O)[O-])CCCC2)C2=CC=CC=C2)CC1	REAL300013933279	0	60	0.0	-58.58	452.03	8.59	-49.99
CC(C)[N@@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933286	0	51	0.0	-63.19	356.20	9.26	-53.93
CC(C)[N@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933286	1	51	0.0	-63.85	359.35	9.03	-54.82
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCCC3)=C2)CC1	REAL300013933293	0	61	0.0	-65.75	457.05	10.88	-54.87
CCC[NH+](CCC)CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933294	0	56	0.0	-65.74	410.03	8.15	-57.59
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCCC3)=C2)CC1	REAL300013933301	0	60	0.0	-70.57	453.25	7.83	-62.74
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCC3(C(=O)[O-])CCCC3)=C2)CC1	REAL300013933301	1	60	0.0	-70.91	452.72	7.72	-63.19
CC1CC[NH+](CC2CCCN(C(=O)NCC3(C(=O)[O-])CCCC3)C2)CC1	REAL300013933326	0	61	0.0	-66.60	431.33	11.37	-55.23
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013933337	0	58	0.0	-60.26	419.13	9.87	-50.39
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013933337	1	58	0.0	-59.82	418.90	9.97	-49.85
O=C([O-])C1(CNC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CCCC1	REAL300013933351	1	55	0.0	-69.24	426.50	8.67	-60.57
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933353	0	60	0.0	-63.21	439.13	12.31	-50.90
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933357	0	60	0.0	-65.41	456.65	12.76	-52.65
O=C([O-])C1(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCC1	REAL300013933365	0	56	0.0	-67.91	406.69	8.31	-59.60
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013933368	0	58	0.0	-72.19	447.08	8.85	-63.34
O=C([O-])C1(CNC(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)CCCC1	REAL300013933370	0	58	0.0	-70.16	440.84	10.38	-59.78
O=C([O-])C1(CNC(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)CCCC1	REAL300013933370	1	58	0.0	-68.45	440.85	10.38	-58.07
C[NH+]1CCC(CCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933375	0	51	0.0	-68.57	377.57	7.29	-61.28
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013933397	0	55	0.0	-62.17	404.88	9.38	-52.79
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013933397	1	55	0.0	-63.06	406.24	9.78	-53.28
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300013933398	1	52	0.0	-62.95	395.77	8.49	-54.46
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300013933398	1	52	0.0	-61.78	392.26	8.54	-53.24
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)CCCC1	REAL300013933416	0	58	0.0	-66.25	410.44	10.76	-55.49
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933418	0	54	0.0	-63.37	429.48	11.70	-51.67
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933419	0	54	0.0	-63.73	419.15	11.26	-52.47
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933420	0	54	0.0	-66.73	425.44	11.32	-55.41
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933421	0	54	0.0	-63.33	419.33	11.30	-52.03
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933430	0	57	0.0	-69.25	431.02	8.15	-61.10
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933433	0	58	0.0	-66.56	418.11	8.54	-58.02
CN(CC1CC[NH+](C)CC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933435	0	51	0.0	-59.95	370.44	8.66	-51.29
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013933455	0	58	0.0	-72.10	446.01	8.96	-63.14
CC(C)(C)[N@@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933483	0	54	0.0	-55.24	374.55	9.45	-45.79
CC(C)(C)[N@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933483	1	54	0.0	-59.43	374.68	9.43	-50.00
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013933492	0	54	0.0	-70.58	412.37	9.07	-61.51
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013933492	1	54	0.0	-69.66	412.36	9.06	-60.60
O=C([O-])C1(CNC(=O)N2CCC[N@@H+](C3CC3)CC2)CCCC1	REAL300013933495	0	49	0.0	-55.65	355.99	9.45	-46.20
O=C([O-])C1(CNC(=O)N2CCC[N@H+](C3CC3)CC2)CCCC1	REAL300013933495	1	49	0.0	-60.69	356.40	9.48	-51.21
COC1=CC=[NH+]C(N2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)=C1	REAL300013933498	0	52	0.0	-65.40	390.04	6.90	-58.50
O=C([O-])C1(CNC(=O)NCC2C[N@@H+]3CCCC3CO2)CCCC1	REAL300013933504	0	50	0.0	-62.45	367.43	5.58	-56.87
O=C([O-])C1(CNC(=O)NCC2C[N@H+]3CCCC3CO2)CCCC1	REAL300013933504	1	50	0.0	-62.36	365.25	5.60	-56.76
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933507	0	59	0.0	-60.55	424.08	7.69	-52.86
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933507	1	59	0.0	-59.34	424.08	7.68	-51.66
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933507	1	59	0.0	-64.69	424.64	7.78	-56.91
O=C([O-])C1(CNC(=O)N2CCCC2C[NH+]2CCCCC2)CCCC1	REAL300013933509	0	55	0.0	-56.97	390.43	9.68	-47.29
CC1C[NH+](CC2CCCN2C(=O)NCC2(C(=O)[O-])CCCC2)CC(C)O1	REAL300013933511	1	59	0.0	-62.66	421.48	8.98	-53.68
CC(C)[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013933513	0	54	0.0	-63.14	389.54	7.97	-55.17
CC(C)[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013933513	1	54	0.0	-62.15	384.80	7.88	-54.27
O=C([O-])C1(CNC(=O)N2CC[N@@H+]3CCCCC3C2)CCCC1	REAL300013933514	0	49	0.0	-63.18	353.62	8.43	-54.75
O=C([O-])C1(CNC(=O)N2CC[N@H+]3CCCCC3C2)CCCC1	REAL300013933514	1	49	0.0	-62.25	350.52	8.64	-53.61
CC1CCC(C)[NH+]1CCN1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933515	0	63	0.0	-65.56	438.06	8.28	-57.28
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933517	0	54	0.0	-72.99	411.35	10.81	-62.18
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCC(O)CC3)C=C2)CCCC1	REAL300013933521	0	59	0.0	-74.38	447.27	6.92	-67.46
CC[NH+](CC)CCN(CCOC)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933522	0	57	0.0	-55.86	416.50	8.44	-47.42
COCCN(CC[NH+](C)C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933524	0	51	0.0	-57.74	385.13	7.36	-50.38
C[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)C1CCCC1	REAL300013933530	0	51	0.0	-61.76	374.40	7.36	-54.40
C[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)C1CCCC1	REAL300013933530	1	51	0.0	-62.37	374.38	7.35	-55.02
O=C([O-])C1(CNC(=O)NC2CC[N@@H+]3CCCCC23)CCCC1	REAL300013933541	0	49	0.0	-60.15	357.07	7.50	-52.65
O=C([O-])C1(CNC(=O)NC2CC[N@H+]3CCCCC23)CCCC1	REAL300013933541	1	49	0.0	-61.66	357.35	7.40	-54.26
O=C([O-])C1(CNC(=O)N2CCCC([NH+]3CCCC3)C2)CCCC1	REAL300013933555	0	52	0.0	-62.66	371.89	9.17	-53.49
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCC1	REAL300013933601	0	56	0.0	-59.10	389.23	6.05	-53.05
CC1(C)CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013933607	0	58	0.0	-61.32	413.54	11.40	-49.92
CC1(C)CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013933607	1	58	0.0	-62.34	416.90	11.37	-50.97
C=C(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933614	0	52	0.0	-63.04	388.52	7.85	-55.19
C=CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933620	0	49	0.0	-63.69	369.18	7.27	-56.42
CC[NH+]1CCN(C2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)C2)CC1	REAL300013933693	0	57	0.0	-69.81	412.53	7.25	-62.56
CC(CN1CC[NH+](C)CC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933697	0	53	0.0	-67.89	393.74	5.38	-62.51
CC(C[NH+]1CCN(C)CC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933697	1	53	0.0	-62.53	391.23	5.36	-57.17
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933704	0	53	0.0	-49.96	408.51	9.38	-40.58
CC1CCCC(C)[NH+]1CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933720	0	54	0.0	-58.45	382.66	7.33	-51.12
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)CCCC1	REAL300013933733	1	56	0.0	-72.69	427.53	7.86	-64.83
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)CCCC1	REAL300013933738	0	54	0.0	-71.27	408.61	7.81	-63.46
CC[NH+](CC)C1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933745	0	54	0.0	-62.88	377.15	8.95	-53.93
CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300013933790	0	54	0.0	-61.82	403.66	9.97	-51.85
COCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933801	0	52	0.0	-64.48	387.71	5.90	-58.58
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)CCCC1	REAL300013933811	0	58	0.0	-58.79	417.94	9.83	-48.96
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)CCCC1	REAL300013933811	1	58	0.0	-60.84	427.02	10.53	-50.31
O=C([O-])C1(CNC(=O)NCC2CCC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013933813	0	58	0.0	-68.60	433.89	10.30	-58.30
O=C([O-])C1(CNC(=O)NCC2CCC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013933813	1	58	0.0	-68.00	422.84	9.71	-58.29
O=C([O-])C1(CNC(=O)N2CCCC([NH+]3CCCCC3)C2)CCCC1	REAL300013933815	0	55	0.0	-59.25	386.25	9.85	-49.40
COC1CC[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933816	0	58	0.0	-58.48	413.18	6.79	-51.69
COC1CC[NH+](C2(CNC(=O)NCC3(C(=O)[O-])CCCC3)CCCC2)CC1	REAL300013933817	0	62	0.0	-59.59	434.71	7.83	-51.76
O=C([O-])C1(CNC(=O)N2CCC([NH+]3CCCCC3)C2)CCCC1	REAL300013933819	0	52	0.0	-64.04	378.15	8.96	-55.08
COCC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933823	0	55	0.0	-66.79	407.58	6.58	-60.21
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CC3CC3)C2)CCCC1	REAL300013933833	0	49	0.0	-63.54	371.23	7.65	-55.89
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3CC3)C2)CCCC1	REAL300013933833	1	49	0.0	-63.82	370.25	7.63	-56.19
CCCC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933839	0	57	0.0	-61.83	407.14	8.43	-53.40
CCCC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933839	1	57	0.0	-58.69	405.83	8.58	-50.11
CC1(C)C[N@@H+](C2(CNC(=O)NCC3(C(=O)[O-])CCCC3)CCCCC2)CCO1	REAL300013933843	0	65	0.0	-55.01	441.17	8.28	-46.73
CC1(C)C[N@H+](C2(CNC(=O)NCC3(C(=O)[O-])CCCC3)CCCCC2)CCO1	REAL300013933843	1	65	0.0	-62.09	437.76	9.11	-52.98
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCC1	REAL300013933870	0	58	0.0	-60.61	423.79	10.25	-50.36
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCC1	REAL300013933870	1	58	0.0	-60.11	423.89	10.68	-49.43
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CCOC3)CC2)CCCC1	REAL300013933893	0	56	0.0	-69.20	409.95	6.78	-62.42
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCCC1	REAL300013933899	0	56	0.0	-66.83	399.38	8.26	-58.57
CN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933903	0	56	0.0	-67.73	415.42	5.67	-62.06
C[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013933903	1	56	0.0	-69.66	415.81	5.78	-63.88
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933913	1	55	0.0	-67.83	403.39	10.94	-56.89
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933913	1	55	0.0	-63.34	403.33	10.88	-52.46
O=C([O-])C1(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCC1	REAL300013933935	0	62	0.0	-65.00	429.90	8.10	-56.90
CC[N@@H+]1CCC2CCC(C1)N2C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933950	0	52	0.0	-51.62	365.09	9.46	-42.16
CC[N@H+]1CCC2CCC(C1)N2C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933950	1	52	0.0	-56.94	365.41	9.50	-47.44
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933963	0	56	0.0	-62.79	424.75	10.42	-52.37
C[NH+](C)CCN(CC1=CC=CS1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013933965	0	51	0.0	-66.79	395.57	10.18	-56.61
C[NH+]1CCC2(CCCN2C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934000	0	52	0.0	-48.56	359.01	8.34	-40.22
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934015	0	55	0.0	-63.11	390.79	6.63	-56.48
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934015	1	55	0.0	-60.65	393.02	6.80	-53.85
O=C([O-])C1(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCCC1	REAL300013934041	0	56	0.0	-59.34	401.96	8.31	-51.03
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934044	0	61	0.0	-62.44	442.42	11.29	-51.15
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934044	1	61	0.0	-67.77	443.77	11.00	-56.77
C[NH+](C)CCCC(C)(C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934066	0	53	0.0	-71.01	383.85	7.31	-63.70
C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCCC2)C[C@H](C)[N@H+]1CCO	REAL300013934070	0	52	0.0	-61.25	365.91	5.24	-56.01
C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCCC2)C[C@H](C)[N@@H+]1CCO	REAL300013934070	1	52	0.0	-62.69	367.24	4.75	-57.94
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013934083	0	58	0.0	-54.93	413.41	12.15	-42.78
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013934083	1	58	0.0	-59.53	420.28	11.70	-47.83
C[NH+]1C2CCC1CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C2	REAL300013934090	0	49	0.0	-66.75	343.32	8.08	-58.67
CCC1C[N@H+](CC)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934092	0	51	0.0	-67.57	366.37	9.14	-58.43
CCC1C[N@@H+](CC)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934092	1	51	0.0	-62.49	366.42	9.17	-53.32
C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934093	0	60	0.0	-63.16	431.28	11.11	-52.05
C[NH+](C)CCCCCCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934094	0	56	0.0	-69.53	421.80	8.69	-60.84
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1CC[NH+](C)CC1	REAL300013934095	0	51	0.0	-65.53	374.98	7.55	-57.98
COCC[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013934096	0	49	0.0	-64.32	369.50	5.44	-58.88
COCC[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013934096	1	49	0.0	-63.51	370.96	5.21	-58.30
O=C([O-])C1(CNC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)CCCC1	REAL300013934108	0	56	0.0	-62.88	391.47	8.51	-54.37
O=C([O-])C1(CNC(=O)N2CCC[N@H+](C3CCOCC3)CC2)CCCC1	REAL300013934108	1	56	0.0	-61.83	388.44	8.69	-53.14
CC1CC(N(C)C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013934110	0	61	0.0	-65.29	432.86	12.02	-53.27
CC1CC(N(C)C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013934110	1	61	0.0	-66.07	443.58	12.15	-53.92
O=C([O-])C1(CNC(=O)N2CCCC([NH+]3CCCC3)CC2)CCCC1	REAL300013934112	0	55	0.0	-55.45	385.24	10.12	-45.33
O=C([O-])C1(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCCC1	REAL300013934117	0	55	0.0	-53.18	384.14	10.47	-42.71
O=C([O-])C1(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCC1	REAL300013934117	1	55	0.0	-54.44	383.09	10.75	-43.69
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934122	1	60	0.0	-62.18	442.11	9.98	-52.20
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)C[NH+]1CCOCC1	REAL300013934123	1	52	0.0	-67.13	384.19	5.85	-61.28
CC(C)C1CCC([NH+]2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013934129	0	64	0.0	-63.99	444.02	11.51	-52.48
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)C[N@@H+]1C1CC1	REAL300013934134	0	49	0.0	-58.75	365.08	7.01	-51.74
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)C[N@H+]1C1CC1	REAL300013934134	1	49	0.0	-59.55	369.03	7.25	-52.30
CC1C[N@H+](C)CCC1N(C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934146	0	51	0.0	-69.07	367.28	9.25	-59.82
CC1C[N@@H+](C)CCC1N(C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934146	1	51	0.0	-71.61	362.63	8.63	-62.98
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C(C)(C)C[NH+](C)C	REAL300013934147	0	53	0.0	-69.11	374.95	7.61	-61.50
CN(CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934177	0	60	0.0	-70.84	443.14	9.46	-61.38
CC[N@H+](CCC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1)CC1CC1	REAL300013934190	0	64	0.0	-68.33	458.72	12.39	-55.94
CC[N@@H+](CCC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1)CC1CC1	REAL300013934190	1	64	0.0	-71.19	458.89	12.39	-58.80
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC(C)(C)O	REAL300013934209	0	55	0.0	-62.77	391.32	6.55	-56.22
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CC(C)(C)O	REAL300013934209	1	55	0.0	-62.99	388.04	6.40	-56.59
O=C([O-])C1(CNC(=O)NCC[N@@H+]2CCCOCC2)CCCC1	REAL300013934221	0	49	0.0	-62.95	358.82	4.82	-58.13
O=C([O-])C1(CNC(=O)NCC[N@H+]2CCCOCC2)CCCC1	REAL300013934221	1	49	0.0	-65.42	358.10	4.81	-60.61
CN(CC1([NH+](C)C)CCC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934225	0	51	0.0	-63.57	354.78	8.79	-54.78
CC1=[NH+]C=CN1CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934238	1	46	0.0	-62.04	362.92	7.11	-54.93
C[NH+](C)CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=C(Cl)C=C1	REAL300013934254	0	51	0.0	-61.09	402.30	9.53	-51.56
C[C@H](O)C[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934255	1	49	0.0	-66.13	361.28	5.00	-61.13
C[C@@H](O)C[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934256	1	49	0.0	-63.86	361.10	4.90	-58.96
CC(O)C[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C(C)C1	REAL300013934257	0	52	0.0	-67.44	377.58	5.76	-61.68
CC(O)C[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C(C)C1	REAL300013934257	1	52	0.0	-59.82	375.85	5.51	-54.31
CC1(C)CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CCO	REAL300013934258	0	52	0.0	-60.17	365.43	5.41	-54.76
CC1(C)CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CCO	REAL300013934258	1	52	0.0	-60.52	363.55	5.56	-54.96
CCC(C)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934282	0	51	0.0	-62.20	361.58	8.52	-53.68
O=C([O-])C1(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCCC1	REAL300013934284	0	59	0.0	-71.62	423.22	8.94	-62.68
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934297	0	63	0.0	-57.01	410.02	10.43	-46.58
CC(C)C1C[N@H+](C)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934305	0	51	0.0	-62.62	349.10	7.42	-55.20
CC(C)C1C[N@@H+](C)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934305	1	51	0.0	-68.15	349.86	7.65	-60.50
O=C([O-])C1(CNC(=O)N2CCC[N@@H+]3CCCC3C2)CCCC1	REAL300013934323	0	49	0.0	-53.10	339.86	8.98	-44.12
O=C([O-])C1(CNC(=O)N2CCC[N@H+]3CCCC3C2)CCCC1	REAL300013934323	1	49	0.0	-51.82	340.70	9.34	-42.48
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934324	0	58	0.0	-70.25	429.73	6.43	-63.82
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934324	1	58	0.0	-71.25	429.64	6.43	-64.82
C[N@H+](CCCO)C1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934325	0	55	0.0	-68.37	397.08	6.02	-62.35
C[N@@H+](CCCO)C1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934325	1	55	0.0	-69.55	394.94	5.92	-63.63
C[NH+]1CCC(O)(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934333	0	49	0.0	-68.04	363.60	3.87	-64.17
C[NH+](C)CCN(CC1=CC=CO1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934358	0	51	0.0	-67.88	386.33	9.19	-58.69
O=C([O-])C1(CNC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)CCCC1	REAL300013934379	0	54	0.0	-68.11	405.28	6.53	-61.58
CC[N@H+](CCC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1)CC(C)C	REAL300013934397	0	66	0.0	-67.66	464.18	12.27	-55.39
CC[N@@H+](CCC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1)CC(C)C	REAL300013934397	1	66	0.0	-70.69	464.53	12.27	-58.42
COC(=O)CC[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C(C)C1	REAL300013934409	1	54	0.0	-69.92	399.95	8.76	-61.16
COC(=O)CC[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C(C)C1	REAL300013934409	1	54	0.0	-69.38	399.88	8.78	-60.60
C[NH+](C)CCC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013934429	0	54	0.0	-73.47	417.11	9.25	-64.22
O=C([O-])C1(CNC(=O)N2CCC([NH2+]C3CCS(=O)(=O)C3)CC2)CCCC1	REAL300013934439	0	55	0.0	-88.77	412.68	4.50	-84.27
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300013934469	0	59	0.0	-75.19	446.01	9.12	-66.07
C[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1CC1=CC=CC=C1	REAL300013934476	1	55	0.0	-70.56	407.17	10.83	-59.73
C[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1CC1=CC=CC=C1	REAL300013934476	1	55	0.0	-63.48	397.97	10.57	-52.91
COC1=CC=C(C(C[NH+](C)C)NC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013934480	0	55	0.0	-60.48	417.34	7.91	-52.57
CC[NH+]1CCN(CC(C)(C)NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934501	0	59	0.0	-64.78	417.37	7.71	-57.07
CCN1CC[NH+](CC(C)(C)NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934501	1	59	0.0	-63.45	415.13	7.11	-56.34
CC(C)(C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934516	0	51	0.0	-62.30	361.44	7.18	-55.12
CN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300013934521	0	54	0.0	-74.52	407.67	9.89	-64.63
CC(C)[N@@H+]1CCC(N(C)C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013934522	0	51	0.0	-61.26	369.63	8.56	-52.70
CC(C)[N@H+]1CCC(N(C)C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013934522	1	51	0.0	-60.54	368.20	8.45	-52.09
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934543	0	58	0.0	-66.14	417.49	12.08	-54.06
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934543	1	58	0.0	-59.41	416.85	12.09	-47.32
O=C([O-])C1(CNC(=O)NCC2(O)CC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013934549	0	56	0.0	-67.51	427.06	6.47	-61.04
O=C([O-])C1(CNC(=O)NCC2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013934549	1	56	0.0	-65.54	427.17	6.42	-59.12
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013934553	1	59	0.0	-71.58	432.56	8.24	-63.34
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013934553	1	59	0.0	-69.09	434.32	8.69	-60.40
C[NH+](C)CCN(CC1CCCO1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934563	0	55	0.0	-65.13	405.72	8.80	-56.33
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934568	1	60	0.0	-61.80	443.45	8.81	-52.99
CC(C)C[N@@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013934587	0	54	0.0	-64.36	398.51	8.01	-56.35
CC(C)C[N@H+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013934587	1	54	0.0	-65.44	398.84	7.97	-57.47
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013934600	0	55	0.0	-63.86	410.54	9.14	-54.72
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013934600	1	55	0.0	-63.26	407.50	9.37	-53.89
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934604	0	49	0.0	-54.83	366.68	7.70	-47.13
CC1C[N@H+](C2CC2)CC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934604	1	49	0.0	-60.29	370.78	7.38	-52.91
C[NH+](C)CCN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CCCC1	REAL300013934608	0	54	0.0	-56.55	390.82	9.87	-46.68
CC(C)CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013934609	0	63	0.0	-65.17	459.39	10.59	-54.58
CCC(C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934610	0	51	0.0	-63.12	371.35	7.41	-55.71
CCCC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013934629	0	61	0.0	-63.02	440.63	12.40	-50.62
CCCC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013934629	1	61	0.0	-66.93	440.34	12.41	-54.52
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934630	0	54	0.0	-62.52	409.69	9.62	-52.90
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934630	1	54	0.0	-66.75	409.68	9.62	-57.13
CCCN(CCC[NH+](C)C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934645	0	53	0.0	-63.13	396.75	9.71	-53.42
C[NH+](C)CCOCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934646	0	48	0.0	-65.19	368.69	5.04	-60.15
CCN(CCC[NH+](CC)CC)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934651	0	56	0.0	-60.76	410.95	10.33	-50.43
CCN(CCC[NH+]1CCCC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934652	0	54	0.0	-61.48	401.21	10.14	-51.34
CO[C@H]1C[C@@H](CN(C)C(=O)NCC2(C(=O)[O-])CCCC2)[N@H+](C)C1	REAL300013934668	0	52	0.0	-51.97	385.00	7.43	-44.54
CO[C@H]1C[C@@H](CN(C)C(=O)NCC2(C(=O)[O-])CCCC2)[N@@H+](C)C1	REAL300013934668	1	52	0.0	-68.26	376.11	6.80	-61.46
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013934670	0	54	0.0	-64.76	397.79	8.68	-56.08
CC1=CC=CC=C1C(C(C)NC(=O)NCC1(C(=O)[O-])CCCC1)[NH+](C)C	REAL300013934671	0	57	0.0	-53.89	408.26	9.71	-44.18
CCC[N@H+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=C(Cl)C=C1	REAL300013934674	0	57	0.0	-62.83	433.42	9.92	-52.91
CCC[N@@H+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=C(Cl)C=C1	REAL300013934674	1	57	0.0	-60.66	439.83	11.29	-49.37
C[N@H+](CCCCNC(=O)NCC1(C(=O)[O-])CCCC1)C1CC1	REAL300013934689	0	51	0.0	-65.76	386.57	7.75	-58.01
C[N@@H+](CCCCNC(=O)NCC1(C(=O)[O-])CCCC1)C1CC1	REAL300013934689	1	51	0.0	-65.97	386.57	7.75	-58.22
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCC1	REAL300013934718	1	57	0.0	-60.66	397.60	4.57	-56.09
CC1CC(N(C)C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1C	REAL300013934729	0	51	0.0	-67.79	357.14	8.50	-59.29
CC1CC(N(C)C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1C	REAL300013934729	1	51	0.0	-68.26	360.07	8.27	-59.99
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934737	1	58	0.0	-67.10	445.78	10.26	-56.84
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934737	1	58	0.0	-66.84	446.32	10.41	-56.43
CC1=[NH+]C=CN1CCCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934739	1	49	0.0	-63.34	384.42	7.90	-55.44
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC2=CC=CC=C2C1	REAL300013934741	0	55	0.0	-61.90	397.70	9.66	-52.24
CC(C)(O)C[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934779	0	52	0.0	-61.84	376.21	6.08	-55.76
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCCC3O)CC2)CCCC1	REAL300013934818	0	59	0.0	-62.35	421.33	6.01	-56.34
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013934857	0	58	0.0	-61.11	442.20	10.50	-50.61
CCC(C)[NH2+]C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CO1	REAL300013934887	0	54	0.0	-56.66	403.88	6.85	-49.81
C[N@@H+]1CCCC(CCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013934913	0	51	0.0	-68.83	367.48	6.97	-61.86
C[N@H+]1CCCC(CCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013934913	1	51	0.0	-68.17	367.47	6.97	-61.20
C[NH+](C)CCN(CC1=CSC=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934915	0	51	0.0	-62.45	398.27	9.96	-52.49
COCCC[N@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934963	0	51	0.0	-66.08	387.21	5.28	-60.80
COCCC[N@@H+](C)CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013934963	1	51	0.0	-66.22	387.21	5.28	-60.94
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)C[NH+]1CCN(C)CC1	REAL300013934977	0	56	0.0	-65.26	409.40	5.69	-59.57
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)CN1CC[NH+](C)CC1	REAL300013934977	1	56	0.0	-67.93	412.12	6.07	-61.86
CCN1CC[NH+](CC(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934978	0	59	0.0	-65.40	427.53	6.49	-58.91
CC[NH+]1CCN(CC(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934978	1	59	0.0	-68.40	430.54	6.76	-61.64
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013934980	0	63	0.0	-69.78	467.55	10.95	-58.83
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013934980	1	63	0.0	-69.72	473.82	11.31	-58.41
CC(C)[NH+]1CCC(O)(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013934991	0	55	0.0	-61.57	396.16	4.71	-56.86
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935004	0	61	0.0	-66.42	446.52	11.32	-55.10
CN(CCCN1CC[NH+](C)CC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935021	0	56	0.0	-65.31	411.67	7.40	-57.91
CN(CCC[NH+]1CCN(C)CC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935021	1	56	0.0	-61.99	411.54	7.28	-54.71
C[N@@H+]1CCC2C(CCCN2C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013935022	0	52	0.0	-67.45	360.80	8.57	-58.88
C[N@H+]1CCC2C(CCCN2C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013935022	1	52	0.0	-68.76	360.85	8.58	-60.18
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013935029	0	58	0.0	-60.63	437.38	10.39	-50.24
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013935029	1	58	0.0	-70.59	437.99	10.28	-60.31
C[NH+]1CCC(C)(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013935042	0	51	0.0	-66.45	365.91	6.93	-59.52
O=C([O-])C1(CNC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCCC1	REAL300013935043	0	62	0.0	-74.52	444.78	9.73	-64.79
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013935058	0	61	0.0	-60.62	448.00	11.78	-48.84
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCCC1)C[NH+]1CCCC1	REAL300013935070	0	54	0.0	-65.07	383.47	8.00	-57.07
CC[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)CCC(F)(F)F	REAL300013935087	0	50	0.0	-68.29	389.66	7.26	-61.03
CC[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)CCC(F)(F)F	REAL300013935087	1	50	0.0	-68.48	385.16	6.99	-61.49
CCCN(CC[NH+]1CCCC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935091	0	54	0.0	-61.65	395.57	9.88	-51.77
CC1CC([NH+]2CCCC2)CN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935097	0	52	0.0	-64.31	380.59	9.05	-55.26
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013935100	0	52	0.0	-66.62	399.91	9.91	-56.71
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013935100	1	52	0.0	-68.27	399.84	9.90	-58.37
O=C([O-])C1(CNC(=O)N2CCC3(CC[N@H+](CC4=CC=CC=C4)C3)C2)CCCC1	REAL300013935101	0	59	0.0	-71.42	437.57	11.82	-59.60
O=C([O-])C1(CNC(=O)N2CCC3(CC[N@@H+](CC4=CC=CC=C4)C3)C2)CCCC1	REAL300013935101	1	59	0.0	-72.36	437.97	11.62	-60.74
CN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CC2CCC(C1)[NH+]2C	REAL300013935106	0	52	0.0	-55.79	342.88	7.00	-48.79
CCCN(CC[NH+]1CCCCC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935107	0	57	0.0	-60.02	412.40	10.65	-49.37
COCC[NH+](CCOC)C1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013935116	0	62	0.0	-63.26	438.81	7.79	-55.47
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C2	REAL300013935119	0	59	0.0	-66.31	415.91	8.38	-57.93
CCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013935143	0	51	0.0	-64.34	376.14	7.44	-56.90
C[N@@H+]1CC2CN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2C1C1=CC=CC=C1	REAL300013935161	0	56	0.0	-68.30	415.88	11.06	-57.24
C[N@H+]1CC2CN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2C1C1=CC=CC=C1	REAL300013935161	1	56	0.0	-68.16	415.66	11.11	-57.05
O=C([O-])C1(CNC(=O)NC2CCCCC2[NH+]2CCOCC2)CCCC1	REAL300013935179	1	56	0.0	-55.50	399.50	6.76	-48.74
CC1CCCC[N@@H+]1CCC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013935182	0	64	0.0	-66.96	448.67	11.83	-55.13
CC1CCCC[N@H+]1CCC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013935182	1	64	0.0	-69.29	445.17	11.89	-57.40
CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C(N2CCCC2)=[NH+]1	REAL300013935217	1	54	0.0	-56.80	402.34	8.18	-48.62
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC[N@H+](C)CC1	REAL300013935218	0	49	0.0	-66.29	365.02	7.21	-59.08
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC[N@@H+](C)CC1	REAL300013935218	1	49	0.0	-67.53	365.45	7.29	-60.24
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1CCC[N@@H+](C2CCC2)C1	REAL300013935220	0	58	0.0	-66.55	420.92	9.49	-57.06
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1CCC[N@H+](C2CCC2)C1	REAL300013935220	1	58	0.0	-63.96	413.94	9.47	-54.49
O=C([O-])C1(CNC(=O)N2CCC3CCC(C2)[N@@H+]3CC2=CC=CC=C2)CCCC1	REAL300013935222	0	59	0.0	-55.64	405.71	11.09	-44.55
O=C([O-])C1(CNC(=O)N2CCC3CCC(C2)[N@H+]3CC2=CC=CC=C2)CCCC1	REAL300013935222	1	59	0.0	-56.48	418.04	12.00	-44.48
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[N@H+]2CCC(O)C2)CCCC1	REAL300013935223	0	56	0.0	-64.79	425.38	6.48	-58.31
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[N@@H+]2CCC(O)C2)CCCC1	REAL300013935223	1	56	0.0	-59.58	421.95	7.08	-52.50
CC[NH+](CC)CCCC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013935237	0	63	0.0	-71.34	443.20	11.38	-59.96
O=C([O-])C1(CNC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)CCCC1	REAL300013935250	1	56	0.0	-62.84	424.91	10.45	-52.39
O=C([O-])C1(CNC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)CCCC1	REAL300013935250	1	56	0.0	-65.64	423.17	9.62	-56.02
O=C([O-])C1(CNC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)CCCC1	REAL300013935252	0	59	0.0	-67.49	439.68	8.74	-58.75
O=C([O-])C1(CNC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)CCCC1	REAL300013935252	1	59	0.0	-66.79	438.66	8.71	-58.08
CC1C[N@H+](CCCNC(=O)NCC2(C(=O)[O-])CCCC2)CCCO1	REAL300013935275	0	55	0.0	-67.00	402.09	6.97	-60.03
CC1C[N@@H+](CCCNC(=O)NCC2(C(=O)[O-])CCCC2)CCCO1	REAL300013935275	1	55	0.0	-66.71	403.02	6.51	-60.20
CN1CC[NH+](CC2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013935278	0	60	0.0	-69.52	426.86	8.20	-61.32
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935285	0	51	0.0	-61.15	378.12	7.28	-53.87
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935285	1	51	0.0	-62.04	374.04	6.94	-55.10
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935293	0	54	0.0	-65.69	412.51	9.81	-55.88
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935293	1	54	0.0	-65.94	411.15	9.71	-56.23
CC1C([NH+]2CCCC2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935313	0	52	0.0	-65.90	371.03	9.05	-56.85
CCN(CC[NH+]1CCCCCC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935316	0	57	0.0	-59.22	401.99	10.15	-49.07
CN(CCC1CCCC[N@@H+]1C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935320	0	54	0.0	-61.07	391.00	9.51	-51.56
CN(CCC1CCCC[N@H+]1C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935320	1	54	0.0	-58.76	390.73	9.52	-49.24
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013935327	0	58	0.0	-61.47	419.56	11.45	-50.02
C[N@@H+]1CCCC2CN(C(=O)NCC3(C(=O)[O-])CCCC3)CCC21	REAL300013935366	0	52	0.0	-65.79	362.64	8.54	-57.25
C[N@H+]1CCCC2CN(C(=O)NCC3(C(=O)[O-])CCCC3)CCC21	REAL300013935366	1	52	0.0	-68.08	366.76	9.15	-58.93
O=C([O-])C1(CNC(=O)N2CCC3C(CCC[N@@H+]3CC3=CC=CC=C3)C2)CCCC1	REAL300013935367	0	62	0.0	-65.83	446.31	12.48	-53.35
O=C([O-])C1(CNC(=O)N2CCC3C(CCC[N@H+]3CC3=CC=CC=C3)C2)CCCC1	REAL300013935367	1	62	0.0	-68.79	446.36	12.52	-56.27
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013935378	0	56	0.0	-65.50	405.32	8.32	-57.18
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013935378	1	56	0.0	-71.74	400.18	8.05	-63.69
O=C([O-])C1(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)CCCC1	REAL300013935379	0	55	0.0	-61.85	382.60	9.45	-52.40
CC1=CC=[NH+]C(N2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)=C1	REAL300013935382	1	51	0.0	-61.45	379.81	8.17	-53.28
NC1=CN=[NH+]C(NNC(=O)NCC2(C(=O)[O-])CCCC2)=C1Cl	REAL300013935392	0	39	0.0	-51.15	325.77	3.09	-48.06
O=C([O-])C1(CNC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)CCCC1	REAL300013935430	0	62	0.0	-68.65	447.96	11.68	-56.97
O=C([O-])C1(CNC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)CCCC1	REAL300013935430	1	62	0.0	-70.17	458.03	11.13	-59.04
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+]2C2CC2)CCCC1	REAL300013935448	0	52	0.0	-60.71	376.13	7.68	-53.03
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+]2C2CC2)CCCC1	REAL300013935448	1	52	0.0	-59.59	375.02	7.68	-51.91
CC1(C)CCC[N@H+](CCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013935468	0	54	0.0	-61.29	390.30	7.76	-53.53
CC1(C)CCC[N@@H+](CCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013935468	1	54	0.0	-61.50	390.27	7.75	-53.75
C[NH+](C)CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=C(F)C=C1	REAL300013935480	0	51	0.0	-62.08	391.97	9.08	-53.00
CC(C)OC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300013935490	0	61	0.0	-64.03	454.91	9.25	-54.78
CC(C)CC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300013935501	0	63	0.0	-61.78	463.45	11.99	-49.79
CC1C(NC(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013935518	0	55	0.0	-63.05	417.70	9.58	-53.47
CC1C(NC(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013935518	1	55	0.0	-63.48	406.03	9.55	-53.93
C[N@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013935525	0	55	0.0	-69.25	413.33	10.68	-58.57
C[N@@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013935525	1	55	0.0	-65.88	411.19	10.74	-55.14
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CC3CCCC3)C2)CCCC1	REAL300013935540	0	55	0.0	-64.74	401.42	8.72	-56.02
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3CCCC3)C2)CCCC1	REAL300013935540	1	55	0.0	-64.66	402.62	8.71	-55.95
O=C([O-])C1(CNC(=O)NC2C[N@@H+](CC3=CC=CC=C3)CCC2CO)CCCC1	REAL300013935573	0	59	0.0	-62.76	439.75	7.64	-55.12
O=C([O-])C1(CNC(=O)NC2C[N@H+](CC3=CC=CC=C3)CCC2CO)CCCC1	REAL300013935573	1	59	0.0	-63.83	435.11	6.81	-57.02
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1C[N@H+](C)CCO1	REAL300013935593	1	49	0.0	-67.67	366.13	5.21	-62.46
CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1C[N@@H+](C)CCO1	REAL300013935593	1	49	0.0	-69.82	360.66	5.23	-64.59
CC(CCNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCCCC1	REAL300013935601	0	54	0.0	-61.49	387.20	7.78	-53.71
CC(C1CC[NH+](C)CC1)N(C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935609	0	54	0.0	-63.12	388.46	9.80	-53.32
CC[NH+](CC)CCOCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935621	0	54	0.0	-63.32	400.08	6.10	-57.22
CN1CC[NH+](CC2(C)CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013935628	0	63	0.0	-69.87	431.92	8.27	-61.60
O=C([O-])C1(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CCCC1	REAL300013935633	0	52	0.0	-63.83	382.16	7.95	-55.88
CC1=C[NH+]=CC=C1OC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013935647	1	53	0.0	-71.79	398.53	8.77	-63.02
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935666	0	56	0.0	-62.27	394.04	7.93	-54.34
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935666	1	56	0.0	-59.12	395.81	8.13	-50.99
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935667	0	56	0.0	-61.32	395.95	8.17	-53.15
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935667	1	56	0.0	-66.02	394.11	7.96	-58.06
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935677	0	57	0.0	-71.85	441.17	7.08	-64.77
CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935680	0	58	0.0	-62.60	426.34	7.41	-55.19
CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935680	1	58	0.0	-62.28	426.34	7.40	-54.88
CN(CCCN(C)C(=O)NCC1(C(=O)[O-])CCCC1)CC[NH+](C)C	REAL300013935680	1	58	0.0	-69.13	426.85	7.59	-61.54
CCCN(CC[NH+]1CCCCCC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935681	0	60	0.0	-58.83	426.89	11.01	-47.82
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935687	0	54	0.0	-62.42	409.73	9.62	-52.80
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935687	1	54	0.0	-63.75	409.73	9.61	-54.14
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935706	0	53	0.0	-63.94	393.75	8.20	-55.74
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935706	1	53	0.0	-64.23	393.75	8.23	-56.00
CCC[N@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013935740	0	54	0.0	-69.03	394.03	9.36	-59.67
CCC[N@@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013935740	1	54	0.0	-69.34	396.01	9.31	-60.03
CC[NH+](CC)C1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013935741	0	51	0.0	-65.05	368.06	8.13	-56.92
O=C([O-])C1(CNC(=O)NC2CCC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013935749	0	55	0.0	-64.81	413.99	9.62	-55.19
O=C([O-])C1(CNC(=O)NC2CCC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013935749	1	55	0.0	-67.46	413.95	9.61	-57.85
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935762	0	58	0.0	-64.99	430.55	11.73	-53.26
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935762	1	58	0.0	-69.01	433.90	11.80	-57.21
CC(C)[NH+]1CCC(N2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013935770	0	63	0.0	-68.17	430.56	8.13	-60.04
CC[N@@H+]1CCC(N(C)C(=O)NCC2(C(=O)[O-])CCCC2)C(C)C1	REAL300013935788	0	54	0.0	-65.67	371.35	9.21	-56.46
CC[N@H+]1CCC(N(C)C(=O)NCC2(C(=O)[O-])CCCC2)C(C)C1	REAL300013935788	1	54	0.0	-48.23	365.71	8.94	-39.29
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013935792	0	57	0.0	-65.56	414.20	8.83	-56.73
CC(C)C[N@H+]1CCCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013935792	1	57	0.0	-63.59	406.98	8.78	-54.81
O=C([O-])C1(CNC(=O)N2CCC3C(CCC[N@@H+]3C3CC3)C2)CCCC1	REAL300013935800	0	56	0.0	-66.26	394.38	9.85	-56.41
O=C([O-])C1(CNC(=O)N2CCC3C(CCC[N@H+]3C3CC3)C2)CCCC1	REAL300013935800	1	56	0.0	-64.82	389.51	9.75	-55.07
CCC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013935820	0	58	0.0	-62.21	423.34	11.38	-50.83
CCC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013935820	1	58	0.0	-64.22	418.83	11.66	-52.56
C[NH+](C)CC1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCCC1	REAL300013935831	0	54	0.0	-63.88	379.56	8.41	-55.47
C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC2(C(=O)[O-])CCCC2)C[C@H](C)O1	REAL300013935869	1	55	0.0	-62.76	401.31	8.21	-54.55
C[C@@H]1C[N@H+](CCN(C)C(=O)NCC2(C(=O)[O-])CCCC2)C[C@H](C)O1	REAL300013935869	1	55	0.0	-64.56	407.29	8.13	-56.43
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935870	1	55	0.0	-62.15	396.86	8.21	-53.94
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935870	1	55	0.0	-59.69	399.63	7.99	-51.70
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935888	0	53	0.0	-58.68	393.85	8.23	-50.45
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935888	1	53	0.0	-63.18	390.75	8.42	-54.76
CCCC[N@H+](C)CC(C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935891	0	53	0.0	-63.92	393.75	8.20	-55.72
CCCC[N@@H+](C)CC(C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935891	1	53	0.0	-64.23	393.75	8.23	-56.00
CC1=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=CC(N2CCCC2)=[NH+]1	REAL300013935899	1	54	0.0	-54.94	415.09	7.12	-47.82
CSC1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC[NH+](C)CC1	REAL300013935901	0	52	0.0	-70.63	386.59	7.53	-63.10
CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013935920	0	58	0.0	-57.07	417.97	11.93	-45.14
CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013935920	1	58	0.0	-58.89	417.13	11.38	-47.51
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935926	0	61	0.0	-68.80	452.30	12.71	-56.09
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935926	1	61	0.0	-68.45	452.03	12.75	-55.70
C[N@@H+]1C2CCC1CN(C(=O)NCC1(C(=O)[O-])CCCC1)CC2	REAL300013935942	0	49	0.0	-62.40	333.43	7.84	-54.56
C[N@H+]1C2CCC1CN(C(=O)NCC1(C(=O)[O-])CCCC1)CC2	REAL300013935942	1	49	0.0	-51.79	341.44	8.76	-43.03
CC1=[NH+]C=CN1CCCN(C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935953	1	49	0.0	-60.31	380.54	9.53	-50.78
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013935969	0	57	0.0	-70.36	424.68	8.48	-61.88
CC1CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013935972	0	58	0.0	-66.89	439.72	10.19	-56.70
CC1CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013935972	1	58	0.0	-64.99	437.72	10.07	-54.92
CCCN(CC[NH+](CC)CC)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013935996	0	56	0.0	-59.76	406.62	10.04	-49.72
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936008	0	55	0.0	-66.98	417.46	9.58	-57.40
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936008	1	55	0.0	-64.03	418.10	9.56	-54.47
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936033	0	54	0.0	-57.00	374.61	8.77	-48.23
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936033	1	54	0.0	-60.33	375.18	7.72	-52.61
O=C([O-])C1(CNC(=O)NCC2CC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013936042	0	55	0.0	-67.64	416.74	9.40	-58.24
O=C([O-])C1(CNC(=O)NCC2CC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013936042	1	55	0.0	-68.22	418.20	9.53	-58.69
O=C([O-])C1(CNC(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CCCC1	REAL300013936058	0	56	0.0	-64.54	415.65	10.91	-53.63
O=C([O-])C1(CNC(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CCCC1	REAL300013936058	1	56	0.0	-73.64	417.85	11.08	-62.56
O=C([O-])C1(CNC(=O)NCC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013936064	0	61	0.0	-68.07	443.55	10.88	-57.19
O=C([O-])C1(CNC(=O)NCC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013936064	1	61	0.0	-68.47	443.21	11.05	-57.42
CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936071	0	53	0.0	-55.64	380.02	8.44	-47.20
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936071	1	53	0.0	-55.43	385.57	7.83	-47.60
CCC[N@H+](CC)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936076	0	53	0.0	-61.50	385.84	7.86	-53.64
CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936076	1	53	0.0	-63.08	389.94	8.14	-54.94
CC1CCCC[N@@H+]1CC1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013936113	0	61	0.0	-62.14	427.36	11.22	-50.92
CC1CCCC[N@H+]1CC1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013936113	1	61	0.0	-61.58	418.50	10.96	-50.62
CC(C)[N@@H+]1C2CCC1CN(C(=O)NCC1(C(=O)[O-])CCCC1)CC2	REAL300013936143	0	55	0.0	-50.36	381.14	9.86	-40.50
CC(C)[N@H+]1C2CCC1CN(C(=O)NCC1(C(=O)[O-])CCCC1)CC2	REAL300013936143	1	55	0.0	-52.21	380.24	9.02	-43.19
O=C([O-])C1(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCCC1	REAL300013936145	0	59	0.0	-68.70	428.07	9.76	-58.94
O=C([O-])C1(CNC(=O)N2CCC(C[NH+]3CCCC3)C2)CCCC1	REAL300013936151	0	52	0.0	-67.09	380.94	9.10	-57.99
C[N@H+](CC1CC1)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013936157	0	55	0.0	-69.65	407.76	10.14	-59.51
C[N@@H+](CC1CC1)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013936157	1	55	0.0	-69.55	406.09	10.11	-59.44
CC(C)[NH+](CCCNC(=O)NCC1(C(=O)[O-])CCCC1)C(C)C	REAL300013936158	0	56	0.0	-61.92	396.38	7.55	-54.37
CC(C)OCC[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013936160	1	55	0.0	-59.51	404.43	8.28	-51.23
CN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013936163	0	58	0.0	-61.66	427.05	11.66	-50.00
CN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013936163	1	58	0.0	-67.22	427.01	11.67	-55.55
CC(CCNC(=O)NCC1(C(=O)[O-])CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300013936172	0	57	0.0	-65.17	422.25	9.52	-55.65
CC(CCNC(=O)NCC1(C(=O)[O-])CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300013936172	1	57	0.0	-64.96	422.89	9.51	-55.45
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=C(Cl)C=C1	REAL300013936178	0	51	0.0	-65.65	402.34	8.92	-56.73
CC[NH+](CC)CCOC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013936188	0	58	0.0	-68.40	423.19	8.52	-59.88
O=C([O-])C1(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCC1	REAL300013936196	0	61	0.0	-71.38	437.82	11.43	-59.95
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936201	1	58	0.0	-66.18	400.89	8.00	-58.18
CC1CC[NH+](C2CCC(NC(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013936211	0	61	0.0	-66.73	434.20	9.69	-57.04
C[NH+](C)CC(C)(O)CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936213	0	48	0.0	-65.69	354.53	3.67	-62.02
CC1CC(CCNC(=O)NCC2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013936222	0	61	0.0	-66.77	454.78	10.98	-55.79
CC1CC(CCNC(=O)NCC2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013936222	1	61	0.0	-68.64	458.72	10.75	-57.89
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936271	0	60	0.0	-66.96	443.41	10.64	-56.32
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936271	1	60	0.0	-60.45	446.33	10.92	-49.53
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+](C2CCC2)C1	REAL300013936325	0	55	0.0	-62.39	389.44	10.00	-52.39
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+](C2CCC2)C1	REAL300013936325	1	55	0.0	-51.47	382.62	10.54	-40.93
C[N@@H+]1CCC2(CCN(C(=O)NCC3(C(=O)[O-])CCCC3)C2)C1	REAL300013936335	0	49	0.0	-71.83	357.58	8.00	-63.83
C[N@H+]1CCC2(CCN(C(=O)NCC3(C(=O)[O-])CCCC3)C2)C1	REAL300013936335	1	49	0.0	-72.19	357.84	7.97	-64.22
O=C([O-])C1(CNC(=O)NCC2CCC[N@@H+]2CC2=CC=CC=C2)CCCC1	REAL300013936339	0	55	0.0	-60.92	413.44	9.71	-51.21
O=C([O-])C1(CNC(=O)NCC2CCC[N@H+]2CC2=CC=CC=C2)CCCC1	REAL300013936339	1	55	0.0	-61.07	410.48	9.10	-51.97
O=C([O-])C1(CNC(=O)NC(C[NH+]2CCCCC2)C2=CC=CC=C2)CCCC1	REAL300013936351	0	58	0.0	-57.37	433.31	11.11	-46.26
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013936359	0	57	0.0	-66.32	434.16	11.87	-54.45
C[NH+](C)CCOC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013936360	0	55	0.0	-69.18	404.55	8.38	-60.80
CN1CCC([N@@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CCCC3)C2)CC1	REAL300013936362	0	57	0.0	-63.85	414.84	5.92	-57.93
CN1CCC([N@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CCCC3)C2)CC1	REAL300013936362	1	57	0.0	-63.60	414.86	5.93	-57.67
C[NH+]1CCC(N2CCC(NC(=O)NCC3(C(=O)[O-])CCCC3)C2)CC1	REAL300013936362	1	57	0.0	-70.12	414.21	5.83	-64.29
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)CC2CO)CCCC1	REAL300013936376	0	59	0.0	-64.20	432.71	7.15	-57.05
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CC3=CC=CC=C3)CC2CO)CCCC1	REAL300013936376	1	59	0.0	-64.03	439.86	7.50	-56.53
O=C([O-])C1(CNC(=O)N2CCC3(C2)CCC[N@H+](CC2=CC=CC=C2)C3)CCCC1	REAL300013936377	0	62	0.0	-68.95	450.51	12.35	-56.60
O=C([O-])C1(CNC(=O)N2CCC3(C2)CCC[N@@H+](CC2=CC=CC=C2)C3)CCCC1	REAL300013936377	1	62	0.0	-61.55	452.25	12.32	-49.23
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCC1	REAL300013936382	0	58	0.0	-64.47	413.37	9.09	-55.38
CC(C)OCC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013936390	0	58	0.0	-64.32	429.82	7.61	-56.71
O=C([O-])C1(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)CCCC1	REAL300013936397	0	53	0.0	-62.01	379.46	7.35	-54.66
O=C([O-])C1(CNC(=O)NCCCCCCC[NH+]2CCCC2)CCCC1	REAL300013936401	0	60	0.0	-68.27	447.77	9.87	-58.40
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936416	0	57	0.0	-66.71	414.96	10.57	-56.14
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936416	1	57	0.0	-64.92	414.15	10.54	-54.38
O=C([O-])C1(CNC(=O)N2CCN(C3=CC=[NH+]C=C3Cl)CC2)CCCC1	REAL300013936423	1	48	0.0	-69.40	372.25	7.09	-62.31
CC[N@H+](CCO)CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936436	0	48	0.0	-61.90	355.89	2.63	-59.27
CC[N@@H+](CCO)CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936436	1	48	0.0	-61.45	359.98	2.88	-58.57
CC(CC[NH+]1CCN(C)CC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936462	0	56	0.0	-60.73	413.68	5.91	-54.82
CC(CCN1CC[NH+](C)CC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936462	1	56	0.0	-69.90	414.07	6.01	-63.89
CN1CC[NH+](CCC(C)(C)NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013936464	0	59	0.0	-69.01	420.46	5.82	-63.19
C[NH+]1CCN(CCC(C)(C)NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013936464	1	59	0.0	-69.23	420.85	5.93	-63.30
CCN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013936470	0	58	0.0	-56.13	429.06	11.97	-44.16
CCN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013936470	1	58	0.0	-62.73	428.73	11.70	-51.03
CN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CC[N@@H+](C2CCN(C)CC2)C1	REAL300013936471	0	60	0.0	-64.92	427.19	7.84	-57.08
CN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CC[N@H+](C2CCN(C)CC2)C1	REAL300013936471	1	60	0.0	-64.18	425.78	8.12	-56.06
CN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CCN(C2CC[NH+](C)CC2)C1	REAL300013936471	1	60	0.0	-69.62	426.38	7.79	-61.83
O=C([O-])C1(CNC(=O)N2CCC3(C2)CC[NH+](CC2=CC=CC=C2)CC3)CCCC1	REAL300013936520	0	62	0.0	-72.37	450.44	12.11	-60.26
CCC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+](CC)CC)C=C1	REAL300013936523	0	63	0.0	-56.97	446.19	11.43	-45.54
O=C(CNC(=O)NCC1(C(=O)[O-])CCCC1)NCC[NH+]1CCCCCC1	REAL300013936524	0	58	0.0	-74.28	424.93	5.36	-68.92
O=C([O-])C1(CNC(=O)N2CC[N@H+](CC3=CC=CC=C3)C3CCCCC32)CCCC1	REAL300013936532	0	62	0.0	-63.98	430.22	11.79	-52.19
O=C([O-])C1(CNC(=O)N2CC[N@@H+](CC3=CC=CC=C3)C3CCCCC32)CCCC1	REAL300013936532	1	62	0.0	-64.89	440.59	12.38	-52.51
CN(CC1CCC[N@H+](C)C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936553	0	51	0.0	-69.05	367.43	8.84	-60.21
CN(CC1CCC[N@@H+](C)C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936553	1	51	0.0	-63.41	370.91	8.89	-54.52
C[N@@H+]1CCCC(N2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C1	REAL300013936558	0	57	0.0	-69.17	392.02	6.94	-62.23
C[N@H+]1CCCC(N2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C1	REAL300013936558	1	57	0.0	-71.53	402.01	7.23	-64.30
CC1CCC([NH+]2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013936571	0	58	0.0	-64.39	405.50	10.12	-54.27
CCOCCC[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C(C)C1	REAL300013936573	0	61	0.0	-69.69	451.95	8.28	-61.41
CCOCCC[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C(C)C1	REAL300013936573	1	61	0.0	-66.97	442.26	8.41	-58.56
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CCN3CCOCC3)C2)CCCC1	REAL300013936574	0	58	0.0	-67.95	426.76	4.54	-63.41
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CCN3CCOCC3)C2)CCCC1	REAL300013936574	1	58	0.0	-68.11	427.17	4.54	-63.57
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013936579	0	58	0.0	-65.17	428.90	10.28	-54.89
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCSC1	REAL300013936590	0	49	0.0	-61.83	360.47	6.78	-55.05
O=C([O-])C1(CNC(=O)N2CC[NH+](C3CC4CCC3C4)CC2)CCCC1	REAL300013936600	0	56	0.0	-61.02	392.09	10.29	-50.73
CC[N@@H+]1CCC(N(C)C(=O)NCC2(C(=O)[O-])CCCC2)CC1C	REAL300013936602	0	54	0.0	-56.72	373.89	9.11	-47.61
CC[N@H+]1CCC(N(C)C(=O)NCC2(C(=O)[O-])CCCC2)CC1C	REAL300013936602	1	54	0.0	-65.49	375.02	9.13	-56.36
C[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=C(F)C=C1	REAL300013936612	0	51	0.0	-70.94	397.37	8.44	-62.50
C[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=C(F)C=C1	REAL300013936612	1	51	0.0	-71.09	397.38	8.45	-62.64
C[NH+](C)CCCOC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013936613	0	58	0.0	-73.43	427.12	9.02	-64.41
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCC1	REAL300013936619	0	55	0.0	-64.26	399.14	8.58	-55.68
C[NH+]1CCC(C2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)C2)CC1	REAL300013936621	0	55	0.0	-72.63	400.55	9.60	-63.03
CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936683	0	60	0.0	-69.31	414.00	8.60	-60.71
O=C([O-])C1(CNC(=O)NCC2CCC[N@@H+]2C2CCCCC2)CCCC1	REAL300013936705	0	58	0.0	-62.83	403.33	8.61	-54.22
O=C([O-])C1(CNC(=O)NCC2CCC[N@H+]2C2CCCCC2)CCCC1	REAL300013936705	1	58	0.0	-65.08	402.80	9.52	-55.56
CC1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013936710	0	58	0.0	-67.34	435.74	10.21	-57.13
CC1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013936710	1	58	0.0	-67.52	435.79	10.20	-57.32
CN(CCC[NH+]1CCCC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936715	0	51	0.0	-61.27	379.40	9.15	-52.12
C[N@@H+]1CCCC2(CCN(C(=O)NCC3(C(=O)[O-])CCCC3)C2)C1	REAL300013936724	0	52	0.0	-71.02	373.99	8.89	-62.13
C[N@H+]1CCCC2(CCN(C(=O)NCC3(C(=O)[O-])CCCC3)C2)C1	REAL300013936724	1	52	0.0	-71.36	373.88	8.76	-62.60
CC(C)C1=CC=C(C[NH+]2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C=C1	REAL300013936730	1	61	0.0	-67.74	448.89	12.27	-55.47
O=C([O-])C1(CNC(=O)NCCCCC[NH+]2CCCC2)CCCC1	REAL300013936733	0	54	0.0	-67.54	404.77	8.31	-59.23
O=C([O-])C1(CNC(=O)NC[C@@H](O)C[N@@H+]2CCC3=CC=CC=C3C2)CCCC1	REAL300013936750	0	56	0.0	-69.47	425.31	6.42	-63.05
O=C([O-])C1(CNC(=O)NC[C@@H](O)C[N@H+]2CCC3=CC=CC=C3C2)CCCC1	REAL300013936750	1	56	0.0	-70.45	425.51	6.39	-64.06
COCC[NH+]1C2CCC1CC(N(C)C(=O)NCC1(C(=O)[O-])CCCC1)C2	REAL300013936757	0	59	0.0	-50.07	393.31	6.77	-43.30
C[NH+](C)CCC(NC(=O)NCC1(C(=O)[O-])CCCC1)C(C)(C)C	REAL300013936772	0	56	0.0	-70.65	401.51	8.13	-62.52
CC(C)[N@@H+]1CCOC(CN2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C1	REAL300013936801	0	64	0.0	-71.11	456.74	7.40	-63.71
CC(C)[N@H+]1CCOC(CN2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C1	REAL300013936801	1	64	0.0	-68.86	448.78	7.23	-61.63
CC[N@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013936804	0	51	0.0	-68.47	372.53	8.61	-59.86
CC[N@@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013936804	1	51	0.0	-69.37	374.60	8.57	-60.80
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936807	0	58	0.0	-65.45	421.10	10.75	-54.70
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013936807	1	58	0.0	-67.95	424.59	10.31	-57.64
C[NH+](C)C1CCCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013936809	0	51	0.0	-66.17	367.41	7.63	-58.54
C[NH+]1CCC(N(CC2=CC=CC=C2)C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013936810	0	58	0.0	-59.22	424.06	12.76	-46.46
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCC(O)CC2)CCCC1	REAL300013936814	0	59	0.0	-65.24	437.98	7.76	-57.48
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3CCOC3)CC2)CCCC1	REAL300013936829	0	53	0.0	-63.83	384.76	7.50	-56.33
CC1=CC(N2CCC(NC(=O)NCC3(C(=O)[O-])CCCC3)CC2)=NC(C)=[NH+]1	REAL300013936831	1	56	0.0	-64.21	426.14	7.29	-56.92
CC(C)[NH+]1CCN(C2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013936860	0	63	0.0	-66.60	430.44	8.09	-58.51
CC(C)N1CC[NH+](C2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013936860	1	63	0.0	-64.00	436.29	8.37	-55.63
O=C([O-])C1(CNC(=O)N2CCC3(CC[N@H+](CC4=CC=CC=C4)C3)CC2)CCCC1	REAL300013936874	0	62	0.0	-71.87	448.77	12.34	-59.53
O=C([O-])C1(CNC(=O)N2CCC3(CC[N@@H+](CC4=CC=CC=C4)C3)CC2)CCCC1	REAL300013936874	1	62	0.0	-71.85	448.63	12.34	-59.51
C[NH+](C)CCOC1=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=CC=N1	REAL300013936884	0	54	0.0	-63.60	422.09	5.61	-57.99
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1CC1	REAL300013936898	0	58	0.0	-60.72	433.30	10.45	-50.27
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1CC1	REAL300013936898	1	58	0.0	-61.10	428.71	10.27	-50.83
O=C([O-])C1(CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCCC1	REAL300013936958	0	61	0.0	-64.12	424.89	9.17	-54.95
C[N@@H+]1CCN(CCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1(C)C	REAL300013936959	0	56	0.0	-62.59	397.20	5.09	-57.50
C[N@H+]1CCN(CCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1(C)C	REAL300013936959	1	56	0.0	-63.50	399.71	5.27	-58.23
CSC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300013936972	0	55	0.0	-65.86	425.80	9.41	-56.45
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+](C2CC2)C1	REAL300013936975	0	52	0.0	-57.90	374.29	9.55	-48.35
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+](C2CC2)C1	REAL300013936975	1	52	0.0	-62.41	373.95	9.72	-52.69
CC(C[NH+]1CCN(C2=CC=CC=N2)CC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937006	1	59	0.0	-68.13	441.31	8.25	-59.88
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013937034	0	58	0.0	-64.74	430.68	10.12	-54.62
CC1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013937034	1	58	0.0	-63.19	423.67	10.68	-52.51
O=C([O-])C1(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)CCCC1	REAL300013937047	0	58	0.0	-66.84	413.37	9.09	-57.75
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937048	0	64	0.0	-70.59	468.04	7.27	-63.32
CC(C)CC[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937051	0	60	0.0	-68.59	435.09	9.41	-59.18
COC1CC[NH+](CCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937052	0	52	0.0	-65.12	388.63	5.67	-59.45
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1[NH+]1CCOCC1	REAL300013937054	1	53	0.0	-63.66	381.58	7.01	-56.65
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CCC1[NH+]1CCN(C)CC1	REAL300013937070	0	60	0.0	-66.10	416.45	7.70	-58.40
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCCC1	REAL300013937074	0	58	0.0	-66.89	418.84	9.33	-57.56
CC[N@@H+]1CC(C)N(C(=O)NCC2(C(=O)[O-])CCCC2)CC1C	REAL300013937080	0	51	0.0	-59.60	361.10	8.42	-51.18
CC[N@H+]1CC(C)N(C(=O)NCC2(C(=O)[O-])CCCC2)CC1C	REAL300013937080	1	51	0.0	-62.36	361.19	8.48	-53.88
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937092	0	58	0.0	-65.00	417.52	11.72	-53.28
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937092	1	58	0.0	-63.69	415.26	11.79	-51.90
CCCC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CCOC	REAL300013937095	0	58	0.0	-62.87	419.03	8.44	-54.43
CCCC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CCOC	REAL300013937095	1	58	0.0	-62.34	417.08	8.74	-53.60
COCC[N@H+](C)CCCC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937096	0	64	0.0	-71.36	462.20	10.12	-61.24
COCC[N@@H+](C)CCCC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937096	1	64	0.0	-72.47	462.21	10.12	-62.35
C[NH+](C)CCCC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937097	0	57	0.0	-72.85	411.88	10.28	-62.57
O=C([O-])C1(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCCC1	REAL300013937145	0	56	0.0	-68.62	401.77	8.37	-60.25
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937156	0	57	0.0	-64.39	415.01	8.93	-55.46
O=C([O-])C1(CNC(=O)NCC2CCC[N@H+]2CCCO)CCCC1	REAL300013937157	0	52	0.0	-61.53	389.05	4.41	-57.12
O=C([O-])C1(CNC(=O)NCC2CCC[N@@H+]2CCCO)CCCC1	REAL300013937157	1	52	0.0	-63.64	385.44	3.60	-60.04
O=C([O-])C1(CNC(=O)NC2CCC[N@@H+](CCCO)C2)CCCC1	REAL300013937161	0	52	0.0	-65.38	383.95	4.64	-60.74
O=C([O-])C1(CNC(=O)NC2CCC[N@H+](CCCO)C2)CCCC1	REAL300013937161	1	52	0.0	-67.63	383.99	4.63	-63.00
CC(C)C[N@@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013937190	0	55	0.0	-64.03	400.46	6.47	-57.56
CC(C)C[N@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013937190	1	55	0.0	-68.60	407.00	6.55	-62.05
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3=CC=CC4=CC=CC=C43)CC2)CCCC1	REAL300013937202	0	58	0.0	-60.24	430.84	12.55	-47.69
C[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C(C2=CC=CC=C2)C1	REAL300013937207	1	52	0.0	-68.18	383.00	10.04	-58.14
C[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C(C2=CC=CC=C2)C1	REAL300013937207	1	52	0.0	-69.06	375.79	9.54	-59.52
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937215	0	54	0.0	-66.06	412.74	11.19	-54.87
C[NH+](C)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013937217	0	51	0.0	-71.68	394.63	8.41	-63.27
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCC1	REAL300013937237	0	56	0.0	-59.38	400.74	8.56	-50.82
O=C([O-])C1(CNC(=O)N2CCN(C3=CC=[NH+]C=C3)CC2)CCCC1	REAL300013937259	0	48	0.0	-67.45	358.26	6.50	-60.95
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCCCC2)CCCC1	REAL300013937264	0	51	0.0	-65.15	377.45	7.45	-57.70
CC1CC[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937267	0	54	0.0	-65.98	397.84	8.04	-57.94
C[N@H+](CCCNC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300013937271	0	54	0.0	-68.98	412.46	9.17	-59.81
C[N@@H+](CCCNC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300013937271	1	54	0.0	-68.78	412.52	9.17	-59.61
CC[NH+](CC)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013937283	0	57	0.0	-69.09	430.82	9.78	-59.31
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)CCCC1	REAL300013937284	0	55	0.0	-70.40	430.68	10.15	-60.25
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937290	0	57	0.0	-60.34	419.51	9.73	-50.61
O=C([O-])C1(CNC(=O)NCC2=CC=C(C[NH+]3CCCCC3)C=C2)CCCC1	REAL300013937291	0	58	0.0	-70.20	435.89	10.22	-59.98
O=C([O-])C1(CNC(=O)NCC2=CC=CC=C2C[NH+]2CCCC2)CCCC1	REAL300013937328	0	55	0.0	-61.38	413.66	9.78	-51.60
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC(OC)=C1	REAL300013937376	0	61	0.0	-55.51	445.27	8.31	-47.20
O=C([O-])C1(CNC(=O)N2CC[NH+](CCC3=CC=CC=C3)CC2)CCCC1	REAL300013937380	1	55	0.0	-66.46	411.31	11.20	-55.26
O=C([O-])C1(CNC(=O)N2CCC[N@H+](CC3=CC=CC=C3)CC2)CCCC1	REAL300013937385	0	55	0.0	-67.82	403.07	11.57	-56.25
O=C([O-])C1(CNC(=O)N2CCC[N@@H+](CC3=CC=CC=C3)CC2)CCCC1	REAL300013937385	1	55	0.0	-66.13	400.70	11.75	-54.38
N#CC1=CC=C(C[N@H+]2CCCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C=C1	REAL300013937386	0	56	0.0	-79.65	423.92	11.95	-67.70
N#CC1=CC=C(C[N@@H+]2CCCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C=C1	REAL300013937386	1	56	0.0	-78.24	421.80	12.01	-66.23
CC1=CC=C(C[N@@H+]2CCCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C=C1	REAL300013937387	0	58	0.0	-66.51	422.40	12.31	-54.20
CC1=CC=C(C[N@H+]2CCCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C=C1	REAL300013937387	1	58	0.0	-58.59	421.87	12.42	-46.17
COCC[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937393	1	49	0.0	-59.60	362.30	6.55	-53.05
O=C([O-])C1(CNC(=O)N2CCC[N@H+](CC3=CC=C(F)C=C3)CC2)CCCC1	REAL300013937401	1	55	0.0	-62.65	406.85	11.79	-50.86
O=C([O-])C1(CNC(=O)N2CCC[N@@H+](CC3=CC=C(F)C=C3)CC2)CCCC1	REAL300013937401	1	55	0.0	-72.18	407.38	11.70	-60.48
COC1=CC=C(C[N@@H+]2CCCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C=C1	REAL300013937402	0	59	0.0	-68.98	430.48	10.93	-58.05
COC1=CC=C(C[N@H+]2CCCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C=C1	REAL300013937402	1	59	0.0	-62.09	429.94	11.02	-51.07
O=C([O-])C1(CNC(=O)N2CCC[N@H+](CC3=CC=C(Cl)C=C3)CC2)CCCC1	REAL300013937403	1	55	0.0	-61.60	417.17	12.25	-49.35
O=C([O-])C1(CNC(=O)N2CCC[N@@H+](CC3=CC=C(Cl)C=C3)CC2)CCCC1	REAL300013937403	1	55	0.0	-71.06	417.70	12.15	-58.91
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)CCCC1	REAL300013937416	1	52	0.0	-60.69	398.83	5.02	-55.67
CC1C[NH+](C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)CC(C)O1	REAL300013937418	1	58	0.0	-57.81	406.89	6.82	-50.99
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CCCC1	REAL300013937441	0	49	0.0	-62.40	362.29	7.26	-55.14
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=N2)CC1	REAL300013937445	0	56	0.0	-71.50	426.16	6.98	-64.52
CC1C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCCC2)CC(C)O1	REAL300013937454	0	55	0.0	-67.50	404.39	6.50	-61.00
CC(C)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937458	0	54	0.0	-65.17	393.92	8.14	-57.03
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCOCC1	REAL300013937463	1	55	0.0	-59.47	387.13	6.82	-52.65
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)CCCC1	REAL300013937464	1	54	0.0	-60.96	407.83	7.48	-53.48
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)CCCC1	REAL300013937466	1	51	0.0	-61.37	392.74	6.58	-54.79
CCC(CC)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCOCC1	REAL300013937470	0	61	0.0	-59.33	422.32	8.40	-50.93
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCN(C)CC1	REAL300013937472	0	59	0.0	-55.46	416.61	6.79	-48.67
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)N1CC[NH+](C)CC1	REAL300013937472	1	59	0.0	-49.53	414.80	7.10	-42.43
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)CC(C)C	REAL300013937473	0	59	0.0	-54.72	410.42	8.99	-45.73
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937477	0	55	0.0	-66.10	410.51	10.20	-55.90
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)CCCC1	REAL300013937482	0	55	0.0	-59.09	412.56	9.61	-49.48
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCCC1	REAL300013937494	1	58	0.0	-71.88	440.30	7.98	-63.90
CC(C)CN(CC[NH+](C)C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937507	0	53	0.0	-61.81	385.01	9.74	-52.07
O=C([O-])C1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCCC1	REAL300013937509	0	55	0.0	-63.57	388.03	9.81	-53.76
O=C([O-])C1(CNC(=O)N2CC[NH+](C3CCCC3)CC2)CCCC1	REAL300013937516	0	52	0.0	-59.81	373.57	9.30	-50.51
O=C([O-])C1(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CCCC1	REAL300013937518	0	52	0.0	-65.40	367.66	8.82	-56.58
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300013937528	1	52	0.0	-67.63	388.69	10.33	-57.30
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCOCC2)CCCC1	REAL300013937540	1	49	0.0	-68.07	368.71	5.03	-63.04
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937557	1	61	0.0	-68.52	439.08	10.28	-58.24
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937557	1	61	0.0	-62.25	439.72	10.11	-52.14
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937558	0	58	0.0	-58.09	418.68	12.24	-45.85
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937558	1	58	0.0	-65.05	419.24	12.22	-52.83
O=C([O-])C1(CNC(=O)NC2CC[NH+](CCC3=CC=CC=C3)CC2)CCCC1	REAL300013937565	0	58	0.0	-68.73	436.50	10.49	-58.24
C[NH+](C)CCN1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937566	0	56	0.0	-71.09	409.53	5.58	-65.51
CN(C)CC[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937566	1	56	0.0	-65.75	410.08	5.47	-60.28
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)CCCC1	REAL300013937567	0	54	0.0	-66.18	409.57	7.80	-58.38
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937568	0	58	0.0	-67.68	430.01	10.27	-57.41
CC1CC[NH+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300013937570	0	61	0.0	-70.92	457.05	10.90	-60.02
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013937571	0	61	0.0	-67.25	452.92	10.74	-56.51
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013937571	1	61	0.0	-67.99	452.93	10.74	-57.25
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937572	0	61	0.0	-60.35	446.69	10.99	-49.36
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937572	1	61	0.0	-58.88	443.14	11.55	-47.33
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=C2)C1	REAL300013937573	0	61	0.0	-70.25	457.09	10.85	-59.40
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=C2)C1	REAL300013937573	1	61	0.0	-69.23	454.99	10.92	-58.31
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013937574	0	61	0.0	-51.73	447.74	11.32	-40.41
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013937574	1	61	0.0	-59.54	448.00	11.78	-47.76
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937575	0	57	0.0	-61.78	422.73	9.82	-51.96
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937575	1	57	0.0	-59.41	419.13	10.36	-49.05
C[NH+](C)CCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013937576	0	55	0.0	-70.70	424.50	8.19	-62.51
C[NH+](C)CCOC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013937577	0	55	0.0	-71.49	424.52	8.18	-63.31
CC1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=[NH+]2)CC1	REAL300013937582	1	57	0.0	-58.31	428.59	8.06	-50.25
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)CCCC1	REAL300013937583	1	51	0.0	-56.10	392.69	6.55	-49.55
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)CCCC1	REAL300013937584	1	52	0.0	-62.68	398.88	5.04	-57.64
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300013937587	0	55	0.0	-65.96	413.94	9.63	-56.33
CCN(CC)C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300013937621	1	53	0.0	-57.51	409.75	8.56	-48.95
C[NH+]1CCN(C2=CC(CNC(=O)NCC3(C(=O)[O-])CCCC3)=CC=N2)CC1	REAL300013937622	0	56	0.0	-68.55	426.21	6.99	-61.56
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)CCCC1	REAL300013937623	1	57	0.0	-56.34	419.15	7.81	-48.53
CC1CN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=[NH+]2)CCO1	REAL300013937624	1	55	0.0	-60.77	419.78	5.55	-55.22
O=C([O-])C1(CNC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)CCCC1	REAL300013937625	1	54	0.0	-56.36	407.75	7.46	-48.90
O=C([O-])C1(CNC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)CCCC1	REAL300013937651	1	52	0.0	-63.90	401.52	5.32	-58.58
O=C([O-])C1(CNC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)CCCC1	REAL300013937652	0	55	0.0	-69.81	418.89	9.50	-60.31
CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013937653	0	57	0.0	-68.83	424.53	9.44	-59.39
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937667	0	57	0.0	-63.75	435.15	11.97	-51.78
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937668	0	55	0.0	-63.06	427.83	11.37	-51.69
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013937702	0	61	0.0	-68.55	455.89	9.26	-59.29
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937703	0	61	0.0	-65.29	454.82	9.31	-55.98
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C=N2)CC1	REAL300013937705	0	59	0.0	-70.19	443.91	7.65	-62.54
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)CCCC1	REAL300013937715	0	55	0.0	-56.11	425.91	10.78	-45.33
C[NH+]1CCN(C(=O)CCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937716	1	52	0.0	-81.44	394.05	5.64	-75.80
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CSC=C1	REAL300013937719	0	54	0.0	-53.81	398.77	8.74	-45.07
CC(C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCC(C)CC1	REAL300013937720	0	60	0.0	-59.49	420.71	9.83	-49.66
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300013937722	0	60	0.0	-52.71	426.53	9.96	-42.75
O=C([O-])C1(CNC(=O)NCC[N@@H+]2CCC3=CC=CC=C3C2)CCCC1	REAL300013937723	0	52	0.0	-66.44	394.22	8.79	-57.65
O=C([O-])C1(CNC(=O)NCC[N@H+]2CCC3=CC=CC=C3C2)CCCC1	REAL300013937723	1	52	0.0	-66.41	394.20	8.79	-57.62
CN(C)C1=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=CC=[NH+]1	REAL300013937725	0	47	0.0	-58.52	367.18	6.70	-51.82
CN(C)C1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300013937726	1	47	0.0	-56.61	366.13	6.66	-49.95
CCC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013937727	0	58	0.0	-61.15	421.17	10.73	-50.42
CCC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013937727	1	58	0.0	-60.53	419.96	10.78	-49.75
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1CCCCC1	REAL300013937728	0	57	0.0	-60.49	396.44	9.90	-50.59
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CSC=C1	REAL300013937730	0	48	0.0	-62.59	376.72	7.36	-55.23
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@@H+]1CCCC(C)C1	REAL300013937731	0	54	0.0	-56.26	387.56	7.90	-48.36
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@H+]1CCCC(C)C1	REAL300013937731	1	54	0.0	-57.83	382.16	8.20	-49.63
CC1CC[NH+](CCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937732	0	51	0.0	-62.63	376.34	7.24	-55.39
C[N@H+](CCCNC(=O)NCC1(C(=O)[O-])CCCC1)C1CCCCC1	REAL300013937733	0	57	0.0	-66.04	411.85	8.61	-57.43
C[N@@H+](CCCNC(=O)NCC1(C(=O)[O-])CCCC1)C1CCCCC1	REAL300013937733	1	57	0.0	-65.63	411.85	8.62	-57.01
CC1CC(C)C[NH+](CCCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013937735	0	57	0.0	-65.69	419.13	8.64	-57.05
O=C([O-])C1(CNC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)CCCC1	REAL300013937736	0	55	0.0	-69.80	415.64	9.59	-60.21
O=C([O-])C1(CNC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)CCCC1	REAL300013937736	1	55	0.0	-69.95	415.70	9.58	-60.37
CC(C[NH+]1CCCCC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937739	0	51	0.0	-62.67	374.36	7.82	-54.85
O=C([O-])C1(CNC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)CCCC1	REAL300013937740	0	55	0.0	-62.92	417.12	10.35	-52.57
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013937743	0	51	0.0	-66.00	385.93	8.41	-57.59
CC(C)[NH+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)C(C)C	REAL300013937744	0	53	0.0	-58.75	374.89	6.78	-51.97
O=C([O-])C1(CNC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCC1	REAL300013937768	0	60	0.0	-70.62	446.24	8.37	-62.25
O=C([O-])C1(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCCC1	REAL300013937769	0	56	0.0	-71.34	401.65	8.35	-62.99
C[NH+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937770	0	51	0.0	-70.86	368.75	8.90	-61.96
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCCCC1	REAL300013937823	0	54	0.0	-62.58	372.90	7.53	-55.05
CC1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937824	0	57	0.0	-67.49	419.34	8.82	-58.67
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937825	0	57	0.0	-65.09	415.67	8.70	-56.39
CC1CCCC[N@H+]1CCCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013937825	1	57	0.0	-64.56	405.53	8.44	-56.12
CC1CCC[N@H+](CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013937826	0	57	0.0	-67.17	419.84	8.81	-58.36
CC1CCC[N@@H+](CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013937826	1	57	0.0	-65.87	410.06	9.05	-56.82
CCN1CC[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937827	0	59	0.0	-67.82	433.55	6.45	-61.37
CC[NH+]1CCN(CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937827	1	59	0.0	-67.25	432.39	6.31	-60.94
CC1CC(C)C[NH+](CCCCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013937829	0	60	0.0	-67.34	440.63	9.41	-57.93
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013937845	1	60	0.0	-62.64	434.97	8.19	-54.45
O=C([O-])C1(CNC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CCCC1	REAL300013937846	1	57	0.0	-69.92	431.17	7.64	-62.28
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937848	1	58	0.0	-73.52	435.80	6.05	-67.47
C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013937849	1	59	0.0	-87.73	426.06	8.65	-79.08
C=CC[NH+](CC=C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C(C)C	REAL300013937863	0	58	0.0	-55.81	411.93	9.50	-46.31
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)C=C1	REAL300013937864	0	59	0.0	-62.25	442.04	8.89	-53.36
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCCC1	REAL300013937865	0	61	0.0	-59.79	409.93	9.82	-49.97
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300013937866	0	55	0.0	-65.59	415.10	7.69	-57.90
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)CCCC1	REAL300013937884	0	55	0.0	-55.51	406.00	8.43	-47.08
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CO1	REAL300013937885	1	48	0.0	-58.00	364.23	6.58	-51.42
O=C([O-])C1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCC1	REAL300013937889	0	59	0.0	-59.92	406.17	6.93	-52.99
COC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1OC	REAL300013937897	0	59	0.0	-73.93	444.64	7.64	-66.29
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CS1	REAL300013937900	0	48	0.0	-56.70	370.69	7.22	-49.48
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCCC1	REAL300013937901	0	51	0.0	-62.23	358.98	7.47	-54.76
O=C([O-])C1(CNC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)CCCC1	REAL300013937936	0	52	0.0	-57.64	389.64	7.73	-49.91
CC(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937937	0	51	0.0	-63.13	368.10	7.01	-56.12
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCCCC1	REAL300013937945	0	54	0.0	-54.29	380.48	7.78	-46.51
COC1=CC=CC=C1C(CNC(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCCC1	REAL300013937952	0	59	0.0	-52.87	434.54	9.59	-43.28
CC1CC[NH+](C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C2=CC=CS2)CC1	REAL300013937953	0	58	0.0	-56.79	440.32	9.99	-46.80
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC=C1Cl	REAL300013937955	0	57	0.0	-57.43	418.55	9.82	-47.61
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300013937956	0	54	0.0	-61.74	398.75	9.78	-51.96
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC(F)=C1	REAL300013937959	0	51	0.0	-67.46	392.02	8.47	-58.99
CCC1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300013937960	0	57	0.0	-62.62	428.51	9.84	-52.78
O=C([O-])C1(CNC(=O)NCCN2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300013937963	0	60	0.0	-68.97	448.35	7.66	-61.31
C[NH+]1CCN(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C2=CC=CS2)CC1	REAL300013937964	1	57	0.0	-57.51	430.38	6.85	-50.66
CC[NH+](CC)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013937965	0	57	0.0	-54.81	415.81	9.02	-45.79
O=C([O-])C1(CNC(=O)NCC(C2=CC=CS2)[NH+]2CCCC2)CCCC1	REAL300013937966	0	52	0.0	-57.40	395.00	8.25	-49.15
CC(C)C[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013937989	0	51	0.0	-60.47	369.05	8.88	-51.59
O=C([O-])C1(CNC(=O)NC2CC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013937993	0	52	0.0	-66.57	397.53	9.01	-57.56
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013937993	1	52	0.0	-65.45	397.88	9.02	-56.43
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3CCCO3)CC2)CCCC1	REAL300013937997	1	53	0.0	-57.19	385.93	7.83	-49.36
COC1=CC=CC(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+]2CCCC2)=C1	REAL300013938003	0	59	0.0	-55.13	438.68	9.56	-45.57
O=C([O-])C1(CNC(=O)NCC(C2=CC=CC=C2Cl)[NH+]2CCCC2)CCCC1	REAL300013938004	0	55	0.0	-53.50	420.43	10.65	-42.85
C[NH+](C)C(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC=C1Cl	REAL300013938005	1	51	0.0	-64.08	394.54	9.75	-54.33
CC1=CC=CC(C[NH+]2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)=C1	REAL300013938007	1	55	0.0	-65.79	407.77	10.86	-54.93
CC1=CC=CC=C1C[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938015	1	55	0.0	-60.67	404.83	11.01	-49.66
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013938035	0	51	0.0	-71.49	394.68	8.40	-63.09
O=C([O-])C1(CNC(=O)NC2CC[N@@H+]3CCCC3C2)CCCC1	REAL300013938049	0	49	0.0	-62.46	358.22	7.28	-55.18
O=C([O-])C1(CNC(=O)NC2CC[N@H+]3CCCC3C2)CCCC1	REAL300013938049	1	49	0.0	-59.19	357.11	7.40	-51.79
O=C([O-])C1(CNC(=O)NCC2CC[N@@H+](C3CC3)C2)CCCC1	REAL300013938057	0	49	0.0	-63.95	371.30	7.34	-56.61
O=C([O-])C1(CNC(=O)NCC2CC[N@H+](C3CC3)C2)CCCC1	REAL300013938057	1	49	0.0	-63.74	371.01	7.37	-56.37
C[NH+](C)C1(CNC(=O)NCC2(C(=O)[O-])CCCC2)CCCCCC1	REAL300013938076	0	57	0.0	-56.64	379.51	8.73	-47.91
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938088	0	57	0.0	-64.05	431.27	11.54	-52.51
COCC[N@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938098	0	51	0.0	-66.11	386.13	5.42	-60.69
COCC[N@@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938098	1	51	0.0	-65.61	386.15	5.43	-60.18
CC[NH+](CC)CCN(CC(C)C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938108	0	59	0.0	-59.22	420.51	11.13	-48.09
CC(C)CC(C[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938111	0	53	0.0	-65.26	381.79	7.65	-57.61
C[NH+](C)C1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938128	0	51	0.0	-63.43	367.42	7.63	-55.80
COCC(C)(C)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938144	0	55	0.0	-61.49	390.78	7.33	-54.16
O=C([O-])C1(CNC(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)CCCC1	REAL300013938166	0	56	0.0	-68.30	416.27	11.05	-57.25
O=C([O-])C1(CNC(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)CCCC1	REAL300013938166	1	56	0.0	-65.79	411.15	10.67	-55.12
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300013938176	0	61	0.0	-62.43	426.87	11.80	-50.63
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300013938176	1	61	0.0	-59.63	426.74	11.79	-47.84
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)N1C[C@@H](C)O[C@@H](C)C1	REAL300013938184	0	55	0.0	-58.54	399.85	6.33	-52.21
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013938184	1	55	0.0	-60.82	392.06	6.30	-54.52
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013938184	1	55	0.0	-60.82	392.06	6.30	-54.52
CCC(C)(C)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938194	0	54	0.0	-60.68	373.40	8.60	-52.08
O=C([O-])C1(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCCC1	REAL300013938200	0	47	0.0	-61.71	343.21	4.21	-57.50
O=C([O-])C1(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCC1	REAL300013938200	1	47	0.0	-61.71	343.21	4.21	-57.50
CC(C)C[N@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938202	0	53	0.0	-65.92	392.47	7.70	-58.22
CC(C)C[N@@H+](C)CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938202	1	53	0.0	-65.92	392.47	7.70	-58.22
CC[N@H+](CCCNC(=O)NCC1(C(=O)[O-])CCCC1)C1CCCCC1	REAL300013938227	0	60	0.0	-64.82	425.53	8.99	-55.83
CC[N@@H+](CCCNC(=O)NCC1(C(=O)[O-])CCCC1)C1CCCCC1	REAL300013938227	1	60	0.0	-64.82	425.53	8.99	-55.83
CCCCC[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300013938229	0	63	0.0	-65.71	462.01	10.76	-54.95
CCCCC[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300013938229	1	63	0.0	-65.71	462.01	10.76	-54.95
CN1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C(CC2=CC=CC=C2)C1	REAL300013938230	0	55	0.0	-75.44	408.00	11.61	-63.83
C[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C(CC2=CC=CC=C2)C1	REAL300013938230	1	55	0.0	-68.56	408.11	11.61	-56.95
C[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C(CC2=CC=CC=C2)C1	REAL300013938230	1	55	0.0	-68.56	408.11	11.61	-56.95
O=C([O-])C1(CNC(=O)NC2CCC[N@@H+]3CCCCC23)CCCC1	REAL300013938253	0	52	0.0	-64.07	377.17	8.02	-56.05
O=C([O-])C1(CNC(=O)NC2CCC[N@H+]3CCCCC23)CCCC1	REAL300013938253	1	52	0.0	-64.07	377.17	8.02	-56.05
CN(CC[NH+]1CCCCC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938256	0	51	0.0	-57.64	372.85	9.03	-48.61
O=C([O-])C1(CNC(=O)N2CCN(CC3=CC=CC=C3)CC2)CCCC1	REAL300013938268	0	52	0.0	-67.63	388.69	10.33	-57.30
O=C([O-])C1(CNC(=O)N2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300013938268	1	52	0.0	-67.63	388.69	10.33	-57.30
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938322	0	54	0.0	-63.37	409.73	8.01	-55.36
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013938328	0	58	0.0	-70.69	433.67	11.59	-59.10
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013938328	1	58	0.0	-70.69	433.67	11.59	-59.10
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CCCC1	REAL300013938331	0	57	0.0	-75.48	428.50	8.49	-66.99
O=C([O-])C1(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCCC1	REAL300013938352	0	59	0.0	-69.82	420.50	7.14	-62.68
CC(C)(C)[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013938366	0	51	0.0	-58.99	365.15	6.87	-52.12
CC(C)(C)[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013938366	1	51	0.0	-58.99	365.15	6.87	-52.12
O=C([O-])C1(CNC(=O)NCC2=CC=CN=C2N2CCCC2)CCCC1	REAL300013938380	0	51	0.0	-61.00	380.93	7.62	-53.38
O=C([O-])C1(CNC(=O)NCC2=CC=C[NH+]=C2N2CCCC2)CCCC1	REAL300013938380	1	51	0.0	-61.00	380.93	7.62	-53.38
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938408	0	61	0.0	-66.12	429.50	11.51	-54.61
CC(C[NH+]1CCC(C)CC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938411	0	54	0.0	-63.00	395.55	8.55	-54.45
O=C([O-])C1(CNC(=O)NC2CC[N@@H+](C3CCCCC3)C2)CCCC1	REAL300013938489	0	55	0.0	-62.33	398.51	8.45	-53.88
O=C([O-])C1(CNC(=O)NC2CC[N@H+](C3CCCCC3)C2)CCCC1	REAL300013938489	1	55	0.0	-62.33	398.51	8.45	-53.88
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)CCCC1	REAL300013938516	0	55	0.0	-67.64	406.53	8.95	-58.69
CN1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013938521	0	60	0.0	-74.53	446.53	8.46	-66.07
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013938521	1	60	0.0	-72.35	436.56	7.67	-64.68
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013938521	1	60	0.0	-72.35	436.56	7.67	-64.68
C[NH+](C)CCCC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CCO1	REAL300013938525	0	55	0.0	-69.65	403.84	8.23	-61.42
O=C([O-])C1(CNC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CCCC1	REAL300013938537	0	57	0.0	-61.91	405.09	7.05	-54.86
O=C([O-])C1(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCCC1	REAL300013938537	1	57	0.0	-61.91	405.09	7.05	-54.86
O=C([O-])C1(CNC(=O)NC2CC[NH+](C3CCOC3)CC2)CCCC1	REAL300013938544	0	53	0.0	-66.48	388.55	6.04	-60.44
O=C([O-])C1(CNC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CC23CCC3)CCCC1	REAL300013938569	0	62	0.0	-70.70	459.75	11.01	-59.69
O=C([O-])C1(CNC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CC23CCC3)CCCC1	REAL300013938569	1	62	0.0	-70.70	459.75	11.01	-59.69
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938612	0	59	0.0	-65.33	438.00	8.77	-56.56
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938612	1	59	0.0	-65.33	438.00	8.77	-56.56
CC(C)[NH+]1CCC(CCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938616	0	57	0.0	-66.37	408.24	8.24	-58.13
O=C([O-])C1(CNC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300013938618	0	61	0.0	-68.73	454.08	10.87	-57.86
O=C([O-])C1(CNC(=O)NCC2=CC=NC(N3CCSCC3)=C2)CCCC1	REAL300013938625	0	52	0.0	-63.83	408.62	7.09	-56.74
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CCCC1	REAL300013938625	1	52	0.0	-63.83	408.62	7.09	-56.74
CCC1([NH+](C)C)CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938666	0	54	0.0	-64.22	360.46	8.54	-55.68
CC1([NH+]2CCCC2)CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938683	0	55	0.0	-63.85	376.72	9.00	-54.85
CCC1([NH+]2CCCC2)CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938690	0	58	0.0	-58.46	393.28	9.79	-48.67
COCCN(CC1CC[NH+](C)CC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938700	0	58	0.0	-58.27	423.63	8.83	-49.44
C[NH+]1CCC2(CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013938702	0	55	0.0	-73.18	381.47	9.25	-63.93
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013938710	0	52	0.0	-65.31	383.93	4.60	-60.71
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013938710	1	52	0.0	-65.31	383.93	4.60	-60.71
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938721	0	58	0.0	-67.60	439.49	10.17	-57.43
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938721	1	58	0.0	-67.60	439.49	10.17	-57.43
O=C([O-])C1(CNC(=O)NC2CCCCC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013938729	0	61	0.0	-63.09	435.04	11.04	-52.05
O=C([O-])C1(CNC(=O)NC2CCCCC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013938729	1	61	0.0	-63.09	435.04	11.04	-52.05
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CCCC3)C=N2)CC1	REAL300013938752	0	52	0.0	-78.66	392.92	7.23	-71.43
O=C([O-])C1(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC2=CC=CC=C2)CCCC1	REAL300013938822	0	58	0.0	-58.02	418.00	9.84	-48.18
O=C([O-])C1(CNC(=O)NC[C@H]2CCCC[N@H+]2CC2=CC=CC=C2)CCCC1	REAL300013938822	1	58	0.0	-58.02	418.00	9.84	-48.18
C[N@@H+]1CCC2CN(C(=O)NCC3(C(=O)[O-])CCCC3)CCC21	REAL300013938823	0	49	0.0	-69.30	350.75	7.98	-61.32
C[N@H+]1CCC2CN(C(=O)NCC3(C(=O)[O-])CCCC3)CCC21	REAL300013938823	1	49	0.0	-69.30	350.75	7.98	-61.32
O=C([O-])C1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC2=CC=CC=C2)CCCC1	REAL300013938833	0	58	0.0	-60.05	426.86	10.50	-49.55
O=C([O-])C1(CNC(=O)NC[C@@H]2CCCC[N@H+]2CC2=CC=CC=C2)CCCC1	REAL300013938833	1	58	0.0	-60.05	426.86	10.50	-49.55
CN1CC[NH+](C2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013938835	0	57	0.0	-70.72	402.66	7.34	-63.38
C[NH+]1CCN(C2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013938835	1	57	0.0	-70.72	402.66	7.34	-63.38
CN1CC2=CC=CC=C2C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938838	0	49	0.0	-61.05	376.79	8.28	-52.77
C[N@@H+]1CC2=CC=CC=C2C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938838	1	49	0.0	-56.70	376.52	8.34	-48.36
C[N@H+]1CC2=CC=CC=C2C1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938838	1	49	0.0	-56.70	376.52	8.34	-48.36
CC(C)[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1C	REAL300013938844	0	51	0.0	-61.27	357.73	8.09	-53.18
CC1=CC=CC=C1CN1CCOC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013938849	0	59	0.0	-68.03	436.40	8.58	-59.45
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013938849	1	59	0.0	-70.22	443.08	8.70	-61.52
CC1=CC=CC=C1C[N@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013938849	1	59	0.0	-70.22	443.08	8.70	-61.52
C[NH+](C)C1(C)CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938854	0	54	0.0	-66.49	372.61	7.64	-58.85
CC1=CC=C(C[N@@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CCCC3)C2)C=C1	REAL300013938874	0	55	0.0	-64.91	416.83	9.53	-55.38
CC1=CC=C(C[N@H+]2CCC(NC(=O)NCC3(C(=O)[O-])CCCC3)C2)C=C1	REAL300013938874	1	55	0.0	-64.91	416.83	9.53	-55.38
CO[C@H]1C[C@@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)N(C2=CC(C)=NC=N2)C1	REAL300013938888	0	57	0.0	-57.36	435.50	6.88	-50.48
CO[C@H]1C[C@@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)N(C2=CC(C)=[NH+]C=N2)C1	REAL300013938888	1	57	0.0	-57.36	435.50	6.88	-50.48
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938889	0	61	0.0	-55.71	434.40	11.95	-43.76
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938889	1	61	0.0	-55.71	434.40	11.95	-43.76
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938891	0	60	0.0	-60.40	423.32	11.21	-49.19
CN1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC2=CC=CN=C21	REAL300013938904	0	48	0.0	-60.32	350.76	6.52	-53.80
CN1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC2=CC=C[NH+]=C21	REAL300013938904	1	48	0.0	-60.32	350.76	6.52	-53.80
CN(CCCC[NH+]1CCCCC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938926	0	57	0.0	-63.82	415.85	10.60	-53.22
O=C([O-])C1(CNC(=O)NC2CCC[N@H+](CCN3CCOCC3)C2)CCCC1	REAL300013938928	0	61	0.0	-69.58	443.42	5.15	-64.43
CCC1=CC=C(CN2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C=C1	REAL300013938946	0	58	0.0	-67.71	431.56	11.78	-55.93
CCC1=CC=C(C[NH+]2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C=C1	REAL300013938946	1	58	0.0	-67.71	431.56	11.78	-55.93
CC(C1=CC=CC=C1)N1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938952	0	55	0.0	-60.81	403.72	10.95	-49.86
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938952	1	55	0.0	-60.81	403.72	10.95	-49.86
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938953	0	59	0.0	-73.31	405.85	6.05	-67.26
CCC1([NH+]2CCCCC2)CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013938961	0	61	0.0	-64.30	400.20	10.30	-54.00
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C[C@H](C)O1	REAL300013938974	0	65	0.0	-75.33	462.22	10.51	-64.82
C[C@@H]1C[N@H+](CCC2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C[C@H](C)O1	REAL300013938974	1	65	0.0	-75.33	462.22	10.51	-64.82
C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C[C@H](C)O1	REAL300013938978	0	62	0.0	-71.31	444.02	9.84	-61.47
C[C@@H]1C[N@H+](CC2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C[C@H](C)O1	REAL300013938978	1	62	0.0	-71.31	444.02	9.84	-61.47
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938988	0	61	0.0	-61.54	443.06	12.11	-49.43
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013938988	1	61	0.0	-61.54	443.06	12.11	-49.43
CC1([NH+]2CCCCC2)CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013939052	0	58	0.0	-63.29	391.93	9.68	-53.61
C[C@]12CN(C(=O)NCC3(C(=O)[O-])CCCC3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300013939054	0	59	0.0	-65.96	436.68	12.19	-53.77
C[C@]12CN(C(=O)NCC3(C(=O)[O-])CCCC3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300013939054	1	59	0.0	-72.20	437.87	11.47	-60.73
CCOC(CNC(=O)NCC1(C(=O)[O-])CCCC1)C[NH+](C)C	REAL300013939089	0	51	0.0	-68.69	386.60	5.68	-63.01
CC[N@@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)CCOCC1	REAL300013939130	0	55	0.0	-64.93	390.22	7.99	-56.94
CC[N@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)CCOCC1	REAL300013939130	1	55	0.0	-56.29	389.96	8.02	-48.27
O=C([O-])C1(CNC(=O)NC2CCC[N@@H+]3CCSCC23)CCCC1	REAL300013939139	0	50	0.0	-68.27	376.60	7.75	-60.52
O=C([O-])C1(CNC(=O)NC2CCC[N@H+]3CCSCC23)CCCC1	REAL300013939139	1	50	0.0	-66.36	372.22	8.32	-58.04
CN(C)C1=CC=[NH+]C(CNC(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300013939162	0	47	0.0	-54.69	367.33	5.52	-49.17
CC1([NH+]2CCCC2)CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013939189	0	58	0.0	-65.35	403.67	8.37	-56.98
CCC1([NH+]2CCC2)CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013939193	0	55	0.0	-64.89	369.85	8.48	-56.41
O=C([O-])C1(CNC(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)CC[C@@H]3C2)CCCC1	REAL300013939199	0	59	0.0	-74.18	430.77	12.05	-62.13
O=C([O-])C1(CNC(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)CC[C@@H]3C2)CCCC1	REAL300013939199	1	59	0.0	-74.50	429.09	11.87	-62.63
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939213	0	51	0.0	-64.82	374.86	7.13	-57.69
C[NH+](C)CCC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CN=C1	REAL300013939231	0	53	0.0	-72.13	409.19	8.05	-64.08
CC1=CC=C(NCCNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+]=C1	REAL300013939257	1	47	0.0	-60.40	370.81	5.65	-54.75
CC1=CC=CC(NCCNC(=O)NCC2(C(=O)[O-])CCCC2)=[NH+]1	REAL300013939258	1	47	0.0	-58.97	370.75	5.59	-53.38
CC(C)CC1C[N@H+](C)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939270	0	54	0.0	-64.82	380.90	9.19	-55.63
CC(C)CC1C[N@@H+](C)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939270	1	54	0.0	-64.79	385.60	9.72	-55.07
C[N@@H+]1C[C@@H]2CN(C(=O)NCC3(C(=O)[O-])CCCC3)C[C@]2(C)C1	REAL300013939304	0	49	0.0	-68.74	359.71	7.87	-60.87
C[N@H+]1C[C@@H]2CN(C(=O)NCC3(C(=O)[O-])CCCC3)C[C@]2(C)C1	REAL300013939304	1	49	0.0	-69.08	359.36	7.83	-61.25
NC1=[NH+]C(C2CC2)=NC(N2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)=N1	REAL300013939315	1	55	0.0	-62.83	419.55	10.27	-52.56
NC1=NC(C2CC2)=[NH+]C(N2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)=N1	REAL300013939315	1	55	0.0	-55.38	416.24	10.15	-45.23
CC1([NH+]2CCC2)CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013939391	0	55	0.0	-66.95	388.65	7.77	-59.18
CC[NH+](CC)CC(CC)(CC)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939393	0	59	0.0	-57.37	397.77	9.53	-47.84
C[N@@H+]1CC2CCC(NC(=O)NCC3(C(=O)[O-])CCCC3)CC2C1	REAL300013939427	0	52	0.0	-72.28	380.73	7.59	-64.69
C[N@H+]1CC2CCC(NC(=O)NCC3(C(=O)[O-])CCCC3)CC2C1	REAL300013939427	1	52	0.0	-70.71	380.72	7.59	-63.12
CC[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1(C)C	REAL300013939489	0	51	0.0	-59.98	358.18	8.44	-51.54
CC[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1(C)C	REAL300013939489	1	51	0.0	-59.95	354.67	8.51	-51.44
CC1([NH+]2CCOCC2)CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013939506	0	59	0.0	-63.85	405.51	7.05	-56.80
O=C([O-])C1(CNC(=O)N2CCC3C2CCC[N@H+]3CCO)CCCC1	REAL300013939515	0	53	0.0	-66.08	381.62	5.74	-60.34
O=C([O-])C1(CNC(=O)N2CCC3C2CCC[N@@H+]3CCO)CCCC1	REAL300013939515	1	53	0.0	-64.73	373.70	4.90	-59.83
CN(CC(C)(C)C[NH+](C)C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939517	0	53	0.0	-64.91	368.12	8.55	-56.36
CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939521	0	53	0.0	-66.23	389.65	7.87	-58.36
CN(C)C1=CC=C(C(CNC(=O)NCC2(C(=O)[O-])CCCC2)[NH+](C)C)C=C1	REAL300013939542	0	59	0.0	-62.39	434.06	9.74	-52.65
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939543	0	61	0.0	-70.48	440.12	10.15	-60.33
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939543	1	61	0.0	-70.47	444.50	10.74	-59.73
CC1(C)CC[N@H+](CCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013939581	0	51	0.0	-62.22	379.80	7.05	-55.17
CC1(C)CC[N@@H+](CCNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013939581	1	51	0.0	-62.21	380.31	7.06	-55.15
O=C([O-])C1(CNC(=O)NC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CCCC1	REAL300013939585	0	62	0.0	-72.07	448.96	10.82	-61.25
O=C([O-])C1(CNC(=O)NC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CCCC1	REAL300013939585	1	62	0.0	-68.71	453.12	11.38	-57.33
C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013939611	1	55	0.0	-65.23	397.94	11.17	-54.06
C[C@@H]1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013939611	1	55	0.0	-63.69	405.32	10.80	-52.89
CCC(C)[NH+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013939612	0	54	0.0	-62.58	390.08	7.86	-54.72
C[NH+](C)C1CCC2CN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2C1	REAL300013939645	0	55	0.0	-72.48	391.76	9.37	-63.11
CCN1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+](CC)CC1	REAL300013939663	0	59	0.0	-64.19	397.50	7.51	-56.68
CCN1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+](CC)CC1	REAL300013939663	1	59	0.0	-61.63	395.62	7.41	-54.22
O=C([O-])C1(CNC(=O)NC2CCN(C3=CC=[NH+]C=C3)CC2)CCCC1	REAL300013939674	0	51	0.0	-68.19	385.44	5.83	-62.36
CCC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+](C)C1	REAL300013939689	0	51	0.0	-60.76	364.87	9.15	-51.61
CCC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+](C)C1	REAL300013939689	1	51	0.0	-53.59	363.26	8.65	-44.94
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013939690	0	62	0.0	-65.08	430.46	6.52	-58.56
O=C([O-])C1(CNC(=O)NCC2C[N@@H+]3CC4CC3(C4)CO2)CCCC1	REAL300013939696	0	51	0.0	-62.18	368.77	5.77	-56.41
O=C([O-])C1(CNC(=O)NCC2C[N@H+]3CC4CC3(C4)CO2)CCCC1	REAL300013939696	1	51	0.0	-66.69	375.95	5.46	-61.23
CC[NH+](CC)CCC(NC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013939697	0	60	0.0	-65.77	450.19	11.16	-54.61
CC(CC1CCCC[N@@H+]1C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939707	0	54	0.0	-61.30	385.32	7.99	-53.31
CC(CC1CCCC[N@H+]1C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939707	1	54	0.0	-67.69	385.72	7.80	-59.89
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013939709	0	52	0.0	-69.49	405.10	7.36	-62.13
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)NCC3(C(=O)[O-])CCCC3)C[C@@H]21	REAL300013939718	0	50	0.0	-65.49	364.35	4.50	-60.99
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)NCC3(C(=O)[O-])CCCC3)C[C@@H]21	REAL300013939718	1	50	0.0	-62.37	360.45	4.89	-57.48
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)NCC1(C(=O)[O-])CCCC1)CC2	REAL300013939724	1	51	0.0	-63.27	381.82	8.41	-54.86
CN(CCC[NH+]1CCOCC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939725	1	52	0.0	-63.59	386.34	7.43	-56.16
COC(=O)[C@]12CN(C(=O)NCC3(C(=O)[O-])CCCC3)C[C@H]1C[N@H+](C)CC2	REAL300013939731	0	55	0.0	-70.03	409.41	8.54	-61.49
COC(=O)[C@]12CN(C(=O)NCC3(C(=O)[O-])CCCC3)C[C@H]1C[N@@H+](C)CC2	REAL300013939731	1	55	0.0	-70.24	406.78	8.54	-61.70
CN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CC[NH+](C(C)(C)C)CC1	REAL300013939754	0	57	0.0	-63.48	397.20	9.50	-53.98
O=C([O-])C1(CNC(=O)NC2CC[NH+](CC3CCCO3)CC2)CCCC1	REAL300013939763	0	56	0.0	-64.37	411.16	7.12	-57.25
O=C([O-])C1(CNC(=O)NCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCC1	REAL300013939773	1	57	0.0	-66.74	424.74	7.58	-59.16
O=C([O-])C1(CNC(=O)NCC[NH+]2CC3=CC=CC=C3C2)CCCC1	REAL300013939795	1	49	0.0	-65.59	379.26	8.10	-57.49
O=C([O-])C1(CNC(=O)NC2CC3CCCC(C2)[NH+]3CC2=CC=CC=C2)CCCC1	REAL300013939799	0	62	0.0	-63.45	435.65	10.55	-52.90
CO[C@@H]1C[C@@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)[N@H+](CC2=CC=CC=C2)C1	REAL300013939804	0	59	0.0	-60.31	445.73	8.65	-51.66
CO[C@@H]1C[C@@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)[N@@H+](CC2=CC=CC=C2)C1	REAL300013939804	1	59	0.0	-59.85	443.52	8.05	-51.80
CC1(NC(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013939808	0	55	0.0	-66.01	412.78	9.29	-56.72
CC1(NC(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013939808	1	55	0.0	-67.78	412.12	9.23	-58.55
O=C([O-])C1(CNC(=O)N2CC[NH+](C3CCCC3O)CC2)CCCC1	REAL300013939833	0	53	0.0	-60.28	376.06	5.62	-54.66
CC1C[N@H+](CC2CN(C)CCO2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939849	1	61	0.0	-63.74	436.52	6.82	-56.92
CC1C[N@@H+](CC2CN(C)CCO2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939849	1	61	0.0	-60.87	434.79	6.56	-54.31
CC1CN(CC2C[N@H+](C)CCO2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939849	1	61	0.0	-74.98	422.90	6.31	-68.67
CC1CN(CC2C[N@@H+](C)CCO2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939849	1	61	0.0	-73.81	423.06	6.31	-67.50
CC[N@@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013939851	1	49	0.0	-66.85	368.40	5.04	-61.81
CC[N@H+]1CCOC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013939851	1	49	0.0	-63.70	359.57	5.01	-58.69
O=C([O-])C1(CNC(=O)NCC[NH+]2CCC(O)CC2)CCCC1	REAL300013939856	0	49	0.0	-65.80	367.04	3.32	-62.48
C[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)(C2=CC=CC=C2)CC1	REAL300013939859	0	58	0.0	-64.49	421.35	9.78	-54.71
C[NH+](C)C1CCCCC1NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939862	0	51	0.0	-56.21	366.09	7.26	-48.95
O=C([O-])C1(CNC(=O)N2CCC([N@@H+]3CCC(O)C3)CC2)CCCC1	REAL300013939883	0	53	0.0	-69.02	384.49	5.76	-63.26
O=C([O-])C1(CNC(=O)N2CCC([N@H+]3CCC(O)C3)CC2)CCCC1	REAL300013939883	1	53	0.0	-64.78	383.43	5.65	-59.13
CC1C[N@@H+]2CCCCC2CN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939910	0	52	0.0	-63.22	368.23	8.99	-54.23
CC1C[N@H+]2CCCCC2CN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939910	1	52	0.0	-61.20	368.32	8.99	-52.21
O=C([O-])C1(CNC(=O)N2CCCC([NH+]3CCOCC3)CC2)CCCC1	REAL300013939936	0	56	0.0	-60.42	389.86	8.30	-52.12
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013939944	1	55	0.0	-63.10	401.11	10.96	-52.14
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013939944	1	55	0.0	-63.73	405.25	10.81	-52.92
CC[NH+](CC)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013939945	0	54	0.0	-66.91	392.38	9.24	-57.67
COCC(COC)[NH+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013939954	1	56	0.0	-56.47	408.04	7.54	-48.93
CN(CCC[NH+](C)C)CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013939965	0	55	0.0	-70.29	409.23	5.18	-65.11
C[N@H+]1CC2=CC=CC=C2C(NC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013939966	1	49	0.0	-70.35	368.08	8.28	-62.07
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013939966	1	49	0.0	-67.57	368.09	8.28	-59.29
O=C([O-])C1(CNC(=O)N2CC[NH+](CCC3=CC=C(F)C=C3)CC2)CCCC1	REAL300013939969	1	55	0.0	-74.08	417.67	11.28	-62.80
CCN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CC[N@H+](CC)C1	REAL300013939991	0	51	0.0	-61.61	370.00	8.87	-52.74
CCN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CC[N@@H+](CC)C1	REAL300013939991	1	51	0.0	-58.72	368.09	8.88	-49.84
C[NH+](C)CCN1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1=O	REAL300013940004	0	52	0.0	-72.40	388.07	7.31	-65.09
CC(C)C1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013940012	0	61	0.0	-62.85	428.24	11.54	-51.31
CC(C)C1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013940012	1	61	0.0	-62.79	437.17	11.99	-50.80
C[NH+]1CCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)(N2CCOCC2)CC1	REAL300013940033	0	61	0.0	-71.97	425.69	4.85	-67.12
CC[NH+]1CCC(N2CCCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013940036	0	63	0.0	-58.27	437.96	9.67	-48.60
CCN1CCC([N@@H+]2CCCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013940036	1	63	0.0	-63.01	432.53	9.36	-53.65
CCN1CCC([N@H+]2CCCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300013940036	1	63	0.0	-55.38	432.37	9.40	-45.98
CCC[N@H+](C)CC(C)(C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940049	0	53	0.0	-60.66	377.06	8.39	-52.27
CCC[N@@H+](C)CC(C)(C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940049	1	53	0.0	-63.89	377.74	8.42	-55.47
O=C([O-])C1(CNC(=O)N2CCCC([NH2+]C3CCOCC3)C2)CCCC1	REAL300013940060	0	56	0.0	-68.75	399.73	6.76	-61.99
O=C([O-])C1(CNC(=O)NCC2CCC[N@H+](CC3CC3)C2)CCCC1	REAL300013940069	0	55	0.0	-63.87	399.52	8.72	-55.15
O=C([O-])C1(CNC(=O)NCC2CCC[N@@H+](CC3CC3)C2)CCCC1	REAL300013940069	1	55	0.0	-64.10	399.66	8.89	-55.21
CCCN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CC[N@H+](C)C1	REAL300013940075	0	51	0.0	-58.77	372.96	8.92	-49.85
CCCN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CC[N@@H+](C)C1	REAL300013940075	1	51	0.0	-58.82	372.02	9.07	-49.75
COC(=O)C1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+](C)C1	REAL300013940109	0	51	0.0	-67.94	377.69	8.33	-59.61
COC(=O)C1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+](C)C1	REAL300013940109	1	51	0.0	-66.05	377.41	8.33	-57.72
CO[C@H]1C[C@@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)[N@H+](CC2=CC=CC=C2)C1	REAL300013940112	0	59	0.0	-61.08	443.77	8.63	-52.45
CO[C@H]1C[C@@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)[N@@H+](CC2=CC=CC=C2)C1	REAL300013940112	1	59	0.0	-63.88	443.53	8.08	-55.80
CC(C)[NH+]1CCN(C2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)C2)CC1	REAL300013940115	0	60	0.0	-68.47	425.82	7.57	-60.90
C[N@@H+]1CCCC2C1CCN2C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940139	0	49	0.0	-70.29	343.05	7.41	-62.88
C[N@H+]1CCCC2C1CCN2C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940139	1	49	0.0	-69.72	355.30	8.00	-61.72
C[N@@H+]1CCCCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013940146	0	51	0.0	-67.47	367.74	7.50	-59.97
C[N@H+]1CCCCC(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013940146	1	51	0.0	-66.62	367.71	7.50	-59.12
C[N@@H+]1C[C@@H]2CCCN(C(=O)NCC3(C(=O)[O-])CCCC3)[C@@H]2C1	REAL300013940147	0	49	0.0	-59.13	350.44	8.26	-50.87
C[N@H+]1C[C@@H]2CCCN(C(=O)NCC3(C(=O)[O-])CCCC3)[C@@H]2C1	REAL300013940147	1	49	0.0	-60.55	351.43	8.51	-52.04
COCC[N@H+]1[C@H](C)CN(C(=O)NCC2(C(=O)[O-])CCCC2)C[C@@H]1C	REAL300013940183	0	55	0.0	-61.11	388.10	7.61	-53.50
COCC[N@@H+]1[C@H](C)CN(C(=O)NCC2(C(=O)[O-])CCCC2)C[C@@H]1C	REAL300013940183	1	55	0.0	-62.07	388.37	7.04	-55.03
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940242	0	52	0.0	-62.80	397.18	7.71	-55.09
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940243	0	58	0.0	-69.21	429.70	6.31	-62.90
O=C([O-])C1(CNC(=O)NCC2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCCC1	REAL300013940246	0	51	0.0	-69.17	405.83	7.57	-61.60
O=C([O-])C1(CNC(=O)N2CC3=CC=C[NH+]=C3N3C[C@H](O)C[C@H]3C2)CCCC1	REAL300013940263	1	53	0.0	-61.74	391.33	5.39	-56.35
CO[C@@H]1C[C@@H]2CN(C(=O)NCC3(C(=O)[O-])CCCC3)CC3=CC=C[NH+]=C3N2C1	REAL300013940264	1	56	0.0	-51.34	413.29	7.81	-43.53
COC1CC2CN(C(=O)NCC3(C(=O)[O-])CCCC3)CC3=CC=C[NH+]=C3N2C1	REAL300013940273	1	56	0.0	-51.35	412.98	7.84	-43.51
O=C([O-])C1(CNC(=O)N2CC3=CC=C[NH+]=C3N3CCC[C@@H]3C2)CCCC1	REAL300013940284	1	52	0.0	-59.05	378.47	8.77	-50.28
O=C([O-])C1(CNC(=O)N2CC3=CC=C[NH+]=C3N3CCC[C@H]3C2)CCCC1	REAL300013940285	1	52	0.0	-60.52	380.39	8.73	-51.79
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940293	0	52	0.0	-71.54	388.15	3.25	-68.29
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940293	1	52	0.0	-67.59	397.04	3.55	-64.04
C[N@@H+]1C[C@@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)[C@H](C2=CC=CC=C2)C1	REAL300013940299	0	55	0.0	-63.96	417.50	9.41	-54.55
C[N@H+]1C[C@@H](CNC(=O)NCC2(C(=O)[O-])CCCC2)[C@H](C2=CC=CC=C2)C1	REAL300013940299	1	55	0.0	-66.72	418.12	9.30	-57.42
C[NH+](C)CC1=C2CN(C(=O)NCC3(C(=O)[O-])CCCC3)CCN2N=C1	REAL300013940336	0	52	0.0	-52.37	391.10	7.98	-44.39
C[N@@H+]1CC2CCC(NC(=O)NCC3(C(=O)[O-])CCCC3)C2C1	REAL300013940374	0	49	0.0	-64.49	354.65	7.28	-57.21
C[N@H+]1CC2CCC(NC(=O)NCC3(C(=O)[O-])CCCC3)C2C1	REAL300013940374	1	49	0.0	-62.54	353.42	7.44	-55.10
CC1=[NH+]C=C2CN(C(=O)NCC3(C(=O)[O-])CCCC3)CCN21	REAL300013940407	1	44	0.0	-57.98	334.13	7.95	-50.03
C[NH+]1CC23CN(C(=O)NCC4(C(=O)[O-])CCCC4)CC2(C1)CCCC3	REAL300013940424	0	56	0.0	-57.89	395.35	9.24	-48.65
C[NH+](C)CC1=CC=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300013940467	0	48	0.0	-69.17	385.89	7.70	-61.47
CC(C)[NH+]1CCN(C2(CNC(=O)NCC3(C(=O)[O-])CCCC3)CCCC2)CC1	REAL300013940507	0	66	0.0	-65.70	458.51	8.01	-57.69
CC(C)N1CC[NH+](C2(CNC(=O)NCC3(C(=O)[O-])CCCC3)CCCC2)CC1	REAL300013940507	1	66	0.0	-57.24	456.66	7.81	-49.43
COCC(C)(CNC(=O)NCC1(C(=O)[O-])CCCC1)N1CC[NH+](C(C)C)CC1	REAL300013940512	0	66	0.0	-60.20	464.71	6.87	-53.33
O=C([O-])C1(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCC1	REAL300013940527	0	53	0.0	-61.08	382.75	6.16	-54.92
C[NH+]1CCN(C2=CC=C(CCNC(=O)NCC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300013940529	0	60	0.0	-73.69	449.89	8.37	-65.32
CC[NH+](CC)CCC(C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940535	0	53	0.0	-65.84	386.90	7.68	-58.16
O=C([O-])C1(CNC(=O)N2CCC3CC[N@H+](CC4=CC=CC=C4)C32)CCCC1	REAL300013940568	0	56	0.0	-48.33	402.29	10.91	-37.42
O=C([O-])C1(CNC(=O)N2CCC3CC[N@@H+](CC4=CC=CC=C4)C32)CCCC1	REAL300013940568	1	56	0.0	-52.00	410.94	11.54	-40.46
COC(=O)C1CC([NH+](C)C)CN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013940590	0	54	0.0	-62.59	393.96	8.63	-53.96
CC1([NH+]2CCOCC2)CCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013940596	1	53	0.0	-65.45	378.76	6.79	-58.66
CN(C(=O)NCC1(C(=O)[O-])CCCC1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300013940606	0	54	0.0	-51.77	397.33	11.00	-40.77
CCC[NH+](CCC)CCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940669	0	53	0.0	-63.04	388.53	7.36	-55.68
C[N@@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=CC=C1	REAL300013940679	0	52	0.0	-64.35	386.45	8.28	-56.07
C[N@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=CC=C1	REAL300013940679	1	52	0.0	-65.78	396.08	8.96	-56.82
CC[N@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013940692	0	54	0.0	-68.43	386.45	9.56	-58.87
CC[N@@H+](C)CC1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013940692	1	54	0.0	-71.55	386.45	9.55	-62.00
C[C@@H]1C[C@H](NC(=O)NCC2(C(=O)[O-])CCCC2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300013940714	0	61	0.0	-65.54	430.41	10.10	-55.44
C[C@@H]1C[C@H](NC(=O)NCC2(C(=O)[O-])CCCC2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300013940714	1	61	0.0	-61.23	432.89	10.02	-51.21
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C2	REAL300013940730	0	52	0.0	-68.39	366.87	7.16	-61.23
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCC1(C(=O)[O-])CCCC1)C2	REAL300013940730	1	52	0.0	-60.17	364.48	7.25	-52.92
C[N@@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300013940738	1	52	0.0	-67.32	402.36	8.73	-58.59
C[N@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300013940738	1	52	0.0	-68.70	412.70	9.50	-59.20
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940784	0	61	0.0	-69.31	436.43	9.41	-59.90
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940784	1	61	0.0	-75.21	434.49	9.09	-66.12
C[N@@H+]1CCC2=C(C=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C(=O)N2)C1	REAL300013940811	0	52	0.0	-95.55	401.45	5.63	-89.92
C[N@H+]1CCC2=C(C=C(CNC(=O)NCC3(C(=O)[O-])CCCC3)C(=O)N2)C1	REAL300013940811	1	52	0.0	-95.22	401.44	5.63	-89.59
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)NCC1(C(=O)[O-])CCCC1)C2	REAL300013940819	1	51	0.0	-59.61	381.53	8.55	-51.06
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)NCC1(C(=O)[O-])CCCC1)C2	REAL300013940844	1	51	0.0	-59.61	381.53	8.55	-51.06
CCC[N@@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940846	0	54	0.0	-61.36	385.49	7.67	-53.69
CCC[N@H+]1CCCCC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940846	1	54	0.0	-58.28	384.37	7.81	-50.47
O=C([O-])C1(CNC(=O)N2CCC(NC3=CC=[NH+]C=C3Cl)CC2)CCCC1	REAL300013940865	1	51	0.0	-69.94	399.30	8.02	-61.92
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013940902	1	53	0.0	-66.50	378.76	7.29	-59.21
CC1=[NH+]C=C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C(N)=N1	REAL300013940920	1	43	0.0	-58.02	343.12	3.74	-54.28
C[N@@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=C(F)C=C1	REAL300013940942	0	52	0.0	-68.18	392.03	8.27	-59.91
C[N@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCCC2)[C@@H]1C1=CC=C(F)C=C1	REAL300013940942	1	52	0.0	-69.75	402.37	9.04	-60.71
O=C([O-])C1(CNC(=O)NC2CC3CCC(C2)[NH+]3C2CC2)CCCC1	REAL300013940971	0	53	0.0	-60.33	377.23	7.80	-52.53
CC1=C[NH+]=CC=C1N1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013940980	0	51	0.0	-67.52	382.98	7.78	-59.74
CCCC1=[NH+]C=CN1CCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013941035	1	52	0.0	-61.80	401.55	8.37	-53.43
C=CC[N@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013941054	0	49	0.0	-62.54	356.37	9.20	-53.34
C=CC[N@@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013941054	1	49	0.0	-56.19	357.18	9.26	-46.93
C[NH+]1CC23CCCC2(CN(C(=O)NCC2(C(=O)[O-])CCCC2)C3)C1	REAL300013941061	0	53	0.0	-78.97	379.41	8.70	-70.27
O=C([O-])C1(CNC(=O)NCC(C2=CSC=C2)[NH+]2CCCC2)CCCC1	REAL300013941069	0	52	0.0	-58.47	400.05	9.15	-49.32
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@@H+]1C1CC1	REAL300013941102	1	49	0.0	-58.48	359.75	8.58	-49.90
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CC[N@H+]1C1CC1	REAL300013941102	1	49	0.0	-57.98	353.80	8.43	-49.55
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013941147	0	49	0.0	-71.90	366.97	4.92	-66.98
C[NH+](C)CCCCCCNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013941149	0	53	0.0	-69.28	400.31	7.91	-61.37
C[N@@H+]1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC12CCC2	REAL300013941151	0	49	0.0	-60.30	360.81	6.78	-53.52
C[N@H+]1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC12CCC2	REAL300013941151	1	49	0.0	-56.36	360.80	6.77	-49.59
O=C([O-])C1(CNC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCCC1	REAL300013941154	0	62	0.0	-59.45	447.77	10.71	-48.74
O=C([O-])C1(CNC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCCC3)C2)CCCC1	REAL300013941154	1	62	0.0	-60.23	451.79	10.91	-49.32
C[NH+](C)C1CCCCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013941180	0	51	0.0	-54.56	360.21	8.98	-45.58
O=C([O-])C1(CNC(=O)NCCCN2C=[NH+]C3=C2CCCC3)CCCC1	REAL300013941188	1	53	0.0	-62.30	406.05	9.62	-52.68
O=C([O-])C1(CNC(=O)N[C@H]2CCC[N@@H+](C3CCCC3)C2)CCCC1	REAL300013941209	0	55	0.0	-63.76	397.41	8.57	-55.19
O=C([O-])C1(CNC(=O)N[C@H]2CCC[N@H+](C3CCCC3)C2)CCCC1	REAL300013941209	1	55	0.0	-62.14	394.77	9.11	-53.03
O=C([O-])C1(CNC(=O)NC2C[N@H+](CC3=CC=CC=C3)C3(CCC3)C2)CCCC1	REAL300013941216	0	59	0.0	-59.99	435.77	10.28	-49.71
O=C([O-])C1(CNC(=O)NC2C[N@@H+](CC3=CC=CC=C3)C3(CCC3)C2)CCCC1	REAL300013941216	1	59	0.0	-59.97	436.74	10.33	-49.64
CCC1=[NH+]C=CN1CC(C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013941242	1	49	0.0	-51.65	383.03	7.82	-43.83
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300013941247	0	61	0.0	-62.45	437.08	12.03	-50.42
CC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300013941247	1	61	0.0	-53.32	427.99	12.65	-40.67
O=C([O-])C1(CNC(=O)N2CC[N@H+](CC3=CC=CC=C3)C(C3CCC3)C2)CCCC1	REAL300013941260	0	62	0.0	-57.06	449.04	12.59	-44.47
O=C([O-])C1(CNC(=O)N2CC[N@@H+](CC3=CC=CC=C3)C(C3CCC3)C2)CCCC1	REAL300013941260	1	62	0.0	-66.20	444.65	12.60	-53.60
CC[N@@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC12CCOC2	REAL300013941341	1	53	0.0	-61.87	373.30	7.01	-54.86
CC[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC12CCOC2	REAL300013941341	1	53	0.0	-62.69	368.92	6.69	-56.00
O=C([O-])C1(CNC(=O)N[C@@H]2COC[C@H]2[NH+]2CCCC2)CCCC1	REAL300013941382	0	50	0.0	-58.98	373.11	5.38	-53.60
CN(C(=O)NCC1(C(=O)[O-])CCCC1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013941396	0	58	0.0	-61.62	420.70	11.90	-49.72
CN(C(=O)NCC1(C(=O)[O-])CCCC1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300013941446	0	51	0.0	-66.50	378.88	6.93	-59.57
CC(C)(C)[N@@H+]1CCCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013941454	0	54	0.0	-58.51	380.29	7.94	-50.57
CC(C)(C)[N@H+]1CCCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013941454	1	54	0.0	-59.12	380.29	7.94	-51.18
CN(C)C1=CC=C(CCNC(=O)NCC2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300013941493	1	50	0.0	-60.80	388.61	7.45	-53.35
C[N@@H+]1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC12CCCC2	REAL300013941494	0	52	0.0	-55.52	373.71	7.45	-48.07
C[N@H+]1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC12CCCC2	REAL300013941494	1	52	0.0	-59.43	377.27	7.63	-51.80
C[N@@H+]1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC12CCOCC2	REAL300013941538	0	53	0.0	-62.48	380.29	5.40	-57.08
C[N@H+]1CC(NC(=O)NCC2(C(=O)[O-])CCCC2)CC12CCOCC2	REAL300013941538	1	53	0.0	-62.49	379.89	5.37	-57.12
O=C([O-])C1(CNC(=O)N2CCCC[C@H]([NH+]3CCOCC3)C2)CCCC1	REAL300013941557	1	56	0.0	-52.13	390.45	8.18	-43.95
CC1=CC=C(C[NH+]2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C=C1	REAL300013941561	1	55	0.0	-67.68	410.08	11.01	-56.67
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013941573	0	52	0.0	-62.60	371.57	5.24	-57.36
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300013941573	1	52	0.0	-62.44	368.51	5.61	-56.83
CC(C)[N@H+](C)C1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013941587	0	54	0.0	-62.72	377.52	8.85	-53.87
CC(C)[N@@H+](C)C1CCN(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013941587	1	54	0.0	-63.04	376.78	8.86	-54.18
O=C([O-])C1(CNC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCCC1	REAL300013941592	0	58	0.0	-64.01	415.21	9.33	-54.68
O=C([O-])C1(CNC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCCC1	REAL300013941592	1	58	0.0	-63.79	414.29	9.48	-54.31
C[NH+](C)CCC1CN(C(=O)NCC2(C(=O)[O-])CCCC2)CCO1	REAL300013941604	0	52	0.0	-68.70	382.34	7.44	-61.26
CC(CNC(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013941631	1	53	0.0	-59.14	404.23	7.97	-51.17
CN(C)C1=CC=C(C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCCC2)C=[NH+]1	REAL300013941635	1	56	0.0	-57.90	416.98	8.48	-49.42
O=C([O-])C1(CNC(=O)NCC2CCCC3=[NH+]C=CN32)CCCC1	REAL300013941653	1	47	0.0	-53.77	356.00	7.65	-46.12
CCCC1=[NH+]C=CN1C1CCCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013941718	1	56	0.0	-60.53	418.67	10.89	-49.64
O=C([O-])C1(CNC(=O)NCC2CCCC3=[NH+]C=CN32)CCCC1	REAL300013941775	1	47	0.0	-53.77	356.00	7.65	-46.12
C[NH+](C)[C@H]1CCCCN(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013941784	0	51	0.0	-52.26	360.14	8.92	-43.34
CC1(C)CC(NC(=O)NCC2(C(=O)[O-])CCCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013941829	0	58	0.0	-60.99	429.82	9.67	-51.32
CC1(C)CC(NC(=O)NCC2(C(=O)[O-])CCCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013941829	1	58	0.0	-60.81	424.98	9.77	-51.04
C[NH+](C)CC1=CC=C(CCNC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300013941856	0	54	0.0	-71.73	416.13	9.19	-62.54
O=C([O-])C1(CNC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013941862	0	58	0.0	-63.56	424.11	10.07	-53.49
O=C([O-])C1(CNC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300013941862	1	58	0.0	-66.95	420.25	10.34	-56.61
CCC[N@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)C(C)C	REAL300013941896	0	53	0.0	-60.85	381.20	7.01	-53.84
CCC[N@@H+](CCNC(=O)NCC1(C(=O)[O-])CCCC1)C(C)C	REAL300013941896	1	53	0.0	-60.89	380.65	7.04	-53.85
C[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C(C)(C)C1	REAL300013941928	0	51	0.0	-67.94	367.24	7.43	-60.51
C[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCC2)C(C)(C)C1	REAL300013941928	1	51	0.0	-67.04	365.94	7.73	-59.31
C[C@@H]1C[N@H+](C2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C[C@H](C)O1	REAL300013941945	0	59	0.0	-69.17	421.75	8.90	-60.27
C[C@@H]1C[N@@H+](C2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)C[C@H](C)O1	REAL300013941945	1	59	0.0	-66.12	414.89	8.89	-57.23
COCC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC(OC)=C1	REAL300013941981	1	53	0.0	-37.23	411.17	5.64	-31.59
O=C([O-])C1CCN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CC1	REAL300013942024	0	54	0.0	-83.54	404.07	9.00	-74.54
O=C([O-])C1=CC=C(CNC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C=C1	REAL300013942025	0	54	0.0	-85.64	427.80	8.54	-77.10
O=C([O-])C1CN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CCO1	REAL300013942026	0	52	0.0	-89.78	396.89	7.38	-82.40
O=C([O-])C1CCC(NC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CC1	REAL300013942027	0	57	0.0	-78.75	424.69	8.63	-70.12
O=C([O-])CCCCNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013942028	0	53	0.0	-86.38	411.54	7.22	-79.16
O=C([O-])C1=CC(CNC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)=CC=C1	REAL300013942029	0	54	0.0	-86.60	427.81	8.53	-78.07
O=C([O-])CCNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013942030	0	47	0.0	-83.51	368.55	5.64	-77.87
O=C([O-])CCCCCNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013942031	0	56	0.0	-84.59	433.04	8.00	-76.59
CC(C)(CNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013942032	0	53	0.0	-86.93	403.98	7.10	-79.83
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942033	0	54	0.0	-86.30	410.89	8.50	-77.80
CC1CC(C(=O)[O-])CN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942034	0	57	0.0	-70.51	424.86	9.49	-61.02
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CC1	REAL300013942035	0	57	0.0	-85.39	418.27	9.31	-76.08
O=C([O-])CCCNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013942036	0	50	0.0	-80.22	390.04	6.44	-73.78
CC1CCN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CC1C(=O)[O-]	REAL300013942037	0	57	0.0	-71.95	423.56	9.46	-62.49
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CCOCC1	REAL300013942038	0	58	0.0	-75.57	430.13	6.61	-68.96
CC(C)(CCNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013942039	0	56	0.0	-81.01	422.75	7.32	-73.69
CCC(CC)(CNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013942040	0	59	0.0	-75.90	435.64	8.12	-67.78
CC(CNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013942041	0	50	0.0	-85.15	387.09	6.40	-78.75
CC(C)C(CNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013942042	0	56	0.0	-74.73	419.37	7.73	-67.00
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942043	0	54	0.0	-78.35	411.44	7.70	-70.65
O=C([O-])CCC1CCN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CC1	REAL300013942044	0	60	0.0	-86.71	444.87	10.45	-76.26
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1CC[NH+](CC3=CC=NC=C3)CC1)C2	REAL300013942045	0	56	0.0	-84.48	421.29	7.22	-77.26
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CCCC1	REAL300013942046	0	57	0.0	-75.48	428.50	8.49	-66.99
CC1CN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CCC1C(=O)[O-]	REAL300013942047	0	57	0.0	-83.05	417.21	9.65	-73.40
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CCC1	REAL300013942048	0	54	0.0	-74.40	410.52	7.79	-66.61
O=C([O-])CC(CNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1)C1CC1	REAL300013942049	0	57	0.0	-85.03	435.55	8.42	-76.61
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CC1	REAL300013942050	0	57	0.0	-85.39	418.27	9.31	-76.08
CC(C)C[C@H](CNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1)CC(=O)[O-]	REAL300013942051	0	62	0.0	-78.42	461.94	9.05	-69.37
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013942052	0	54	0.0	-82.17	421.41	8.66	-73.51
COCC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942053	0	58	0.0	-88.12	441.76	7.62	-80.50
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942054	0	51	0.0	-81.53	395.20	7.02	-74.51
O=C([O-])CN1CCC(NC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CC1	REAL300013942055	0	59	0.0	-83.23	443.55	6.08	-77.15
O=C([O-])[C@@H]1CCCN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942056	0	54	0.0	-70.20	405.09	9.02	-61.18
O=C([O-])[C@H]1CCCN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942057	0	54	0.0	-70.17	404.86	9.02	-61.15
O=C([O-])C1CC(NC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942058	0	51	0.0	-81.68	395.51	7.01	-74.67
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942059	0	51	0.0	-82.60	395.37	7.13	-75.47
O=C([O-])C1=CC(CNC(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)=CC=C1	REAL300013942060	0	54	0.0	-86.60	427.81	8.53	-78.07
CCC(CNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1)C(=O)[O-]	REAL300013942061	0	53	0.0	-74.37	404.13	7.32	-67.05
O=C([O-])CCC1CCCCN1C(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013942062	0	60	0.0	-92.87	437.88	10.31	-82.56
O=C([O-])CCCCCCCNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013942063	0	62	0.0	-86.84	476.04	9.56	-77.28
O=C([O-])CCCCCCNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013942064	0	59	0.0	-88.06	454.54	8.78	-79.28
CN(CCCC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013942065	0	53	0.0	-86.03	407.67	8.84	-77.19
CC1(C(=O)[O-])CCCN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942066	0	57	0.0	-90.96	419.77	9.66	-81.30
COCCN(CCC(=O)[O-])C(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013942067	0	57	0.0	-66.30	439.36	8.20	-58.10
O=C([O-])CCC1CCCN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942068	0	60	0.0	-89.84	444.86	10.37	-79.47
O=C([O-])C(=O)N1CCN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CC1	REAL300013942069	0	55	0.0	-82.54	417.31	7.78	-74.76
CC1CCC(C(=O)[O-])CN1C(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013942070	0	57	0.0	-69.66	418.59	9.51	-60.15
O=C([O-])C1(O)CCCN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942071	0	55	0.0	-87.49	414.52	6.56	-80.93
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CC1(C(=O)[O-])CN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)CCO1	REAL300013942084	0	55	0.0	-90.58	412.40	8.17	-82.41
O=C([O-])C1CN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942085	0	48	0.0	-77.57	376.26	7.22	-70.35
COC1CC(C(=O)[O-])CN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942086	0	58	0.0	-72.55	435.56	8.02	-64.53
O=C([O-])C1CCN(C(=O)NCC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013942087	0	51	0.0	-85.46	391.18	8.02	-77.44
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CC(CCC(=O)[O-])NC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013942089	0	53	0.0	-78.69	409.80	7.46	-71.23
CC(C)C(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1F	REAL300013942121	1	51	0.0	-37.69	384.75	8.44	-29.25
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2CCC3=CC=CC=C32)CC1	REAL300013942183	1	46	0.0	-37.28	356.09	7.53	-29.75
C[C@H]1C2=CC=CC=C2C[C@H]1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013942264	1	49	0.0	-36.87	372.83	8.37	-28.50
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013942304	0	58	0.0	-69.99	421.09	7.15	-62.84
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013942305	0	58	0.0	-74.15	442.84	6.73	-67.42
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013942306	0	56	0.0	-79.22	411.62	5.60	-73.62
CCC(CN(C)CCC[NH+](C)C)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013942307	0	61	0.0	-67.95	445.84	7.16	-60.79
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCCCCC(=O)[O-]	REAL300013942308	0	57	0.0	-76.25	426.58	5.41	-70.84
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013942309	0	58	0.0	-78.52	442.85	6.71	-71.81
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCCC(=O)[O-]	REAL300013942310	0	51	0.0	-73.82	383.58	3.83	-69.99
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCCCCCC(=O)[O-]	REAL300013942311	0	60	0.0	-73.89	448.08	6.19	-67.70
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC(C)(C)C(=O)[O-]	REAL300013942312	0	57	0.0	-76.99	418.44	5.30	-71.69
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013942313	0	58	0.0	-66.45	431.10	7.03	-59.42
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013942314	0	61	0.0	-80.80	435.38	7.95	-72.85
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013942315	0	61	0.0	-76.65	432.69	7.43	-69.22
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCCCC(=O)[O-]	REAL300013942316	0	54	0.0	-69.82	405.08	4.62	-65.20
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013942317	0	61	0.0	-72.24	440.90	7.70	-64.54
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013942318	0	62	0.0	-53.64	449.96	5.10	-48.54
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013942319	0	60	0.0	-70.39	437.79	5.49	-64.90
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300013942320	0	63	0.0	-62.86	450.67	6.31	-56.55
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC(C)C(=O)[O-]	REAL300013942321	0	54	0.0	-75.77	402.13	4.59	-71.18
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC(C(=O)[O-])C(C)C	REAL300013942322	0	60	0.0	-69.76	440.87	5.77	-63.99
CCC(CN(C)CCC[NH+](C)C)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013942323	0	67	0.0	-57.62	485.65	7.85	-49.77
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013942324	0	64	0.0	-66.88	469.81	8.06	-58.82
CCC(CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013942325	0	58	0.0	-69.15	426.46	5.91	-63.24
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013942326	0	64	0.0	-71.25	461.90	8.61	-62.64
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013942327	0	60	0.0	-80.99	437.02	5.25	-75.74
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013942328	0	61	0.0	-68.99	443.54	6.67	-62.32
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013942329	0	61	0.0	-70.26	434.55	7.88	-62.38
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013942330	0	58	0.0	-54.03	431.26	6.14	-47.89
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013942331	0	61	0.0	-74.50	450.58	6.60	-67.90
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013942332	0	61	0.0	-76.65	432.69	7.43	-69.22
CCC(CN(C)CCC[NH+](C)C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013942333	0	66	0.0	-65.24	480.03	7.40	-57.84
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013942334	0	58	0.0	-77.28	436.46	6.82	-70.46
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC(COC)(C(=O)[O-])C1	REAL300013942335	0	62	0.0	-60.72	461.96	6.12	-54.60
CCC(CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013942336	0	55	0.0	-61.35	415.72	5.57	-55.78
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013942338	0	58	0.0	-69.18	420.35	7.22	-61.96
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013942339	0	58	0.0	-61.73	425.06	7.48	-54.25
CCC(CN(C)CCC[NH+](C)C)NC(=O)NC1CC(C(=O)[O-])C1	REAL300013942340	0	55	0.0	-65.84	414.96	5.50	-60.34
CCC(CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013942341	0	55	0.0	-62.20	415.60	5.59	-56.61
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013942342	0	58	0.0	-78.52	442.85	6.71	-71.81
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC(CC)C(=O)[O-]	REAL300013942343	0	57	0.0	-67.47	419.16	5.52	-61.95
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013942344	0	64	0.0	-60.49	457.94	9.09	-51.40
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013942345	0	66	0.0	-69.69	495.87	8.08	-61.61
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCCCCCCC(=O)[O-]	REAL300013942346	0	63	0.0	-77.63	469.58	6.97	-70.66
CCC(CN(C)CCC[NH+](C)C)NC(=O)N(C)CCCC(=O)[O-]	REAL300013942347	0	57	0.0	-74.64	422.71	7.01	-67.63
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013942348	0	61	0.0	-80.33	434.09	7.90	-72.43
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300013942349	0	65	0.0	-62.64	468.26	7.70	-54.94
CCC(CN(C)CCC[NH+](C)C)NC(=O)N(CCOC)CCC(=O)[O-]	REAL300013942350	0	61	0.0	-59.62	454.40	6.37	-53.25
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013942351	0	64	0.0	-80.07	459.59	8.55	-71.52
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013942352	0	62	0.0	-84.60	448.92	9.38	-75.22
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013942353	0	59	0.0	-63.65	434.26	5.91	-57.74
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013942354	0	61	0.0	-58.85	439.69	8.00	-50.85
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013942355	0	59	0.0	-69.10	431.48	4.74	-64.36
CCC(CN(C)CCC[NH+](C)C)NC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013942356	0	62	0.0	-69.66	465.48	8.00	-61.66
CCC(CN(C)CCC[NH+](C)C)NC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013942357	0	65	0.0	-93.96	468.39	6.83	-87.13
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC(COC)(C(=O)[O-])CC1	REAL300013942358	0	65	0.0	-75.54	466.64	6.58	-68.96
CCC(CN(C)CCC[NH+](C)C)NC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013942359	0	56	0.0	-66.40	425.09	5.74	-60.66
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013942360	0	67	0.0	-66.29	469.87	7.66	-58.63
CCC(CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013942361	0	61	0.0	-62.31	439.72	6.80	-55.51
CCC(CN(C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013942362	0	64	0.0	-74.56	463.91	7.11	-67.45
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013942363	0	61	0.0	-64.91	439.58	7.83	-57.08
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013942364	0	62	0.0	-73.38	456.15	7.25	-66.13
CCC(CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013942365	0	61	0.0	-61.23	450.28	6.73	-54.50
CCC(CN(C)CCC[NH+](C)C)NC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013942366	0	61	0.0	-72.65	444.95	6.38	-66.27
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013942367	0	62	0.0	-64.92	450.29	5.26	-59.66
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013942368	0	59	0.0	-61.23	432.23	3.95	-57.28
CCC(CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013942369	0	56	0.0	-72.00	422.02	5.90	-66.10
CCC(CN(C)CCC[NH+](C)C)NC(=O)NCC1(C(=O)[O-])CC1	REAL300013942370	0	55	0.0	-54.28	415.16	5.78	-48.50
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013942371	0	62	0.0	-63.55	452.52	8.21	-55.34
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013942372	0	58	0.0	-54.20	444.18	7.30	-46.90
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013942373	0	59	0.0	-67.11	433.08	6.76	-60.35
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CC(C(=O)[O-])C1	REAL300013942374	0	52	0.0	-66.48	391.31	5.40	-61.08
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CC(OC)CC(C(=O)[O-])C1	REAL300013942375	0	62	0.0	-62.17	450.33	6.21	-55.96
CCC(CN(C)CCC[NH+](C)C)NC(=O)N1CCC(C(=O)[O-])C1	REAL300013942376	0	55	0.0	-75.09	406.20	6.20	-68.89
CCC(CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013942377	0	56	0.0	-76.38	420.98	5.93	-70.45
CCC(CN(C)CCC[NH+](C)C)NC(=O)NC(C)CCC(=O)[O-]	REAL300013942378	0	57	0.0	-56.27	429.63	5.93	-50.34
O=C([O-])C[NH+]1CCC(NC(=O)NC2C3CC4=CC(Cl)=CC=C4C32)CC1	REAL300013942411	1	47	0.0	-38.98	379.38	8.99	-29.99
CC(C)OC1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013942501	1	55	0.0	-41.15	410.15	6.64	-34.51
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC23CCCC3)CC1	REAL300013942554	1	49	0.0	-35.19	362.41	7.31	-27.88
CC1(C)[C@@H](C2=CC=CC=C2)[C@@H]1NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013942610	1	52	0.0	-36.53	393.22	8.85	-27.68
CC1=CC=CC2=C1CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)CO2	REAL300013942685	1	50	0.0	-39.25	381.77	6.77	-32.48
CN1C=C(CC2CCCC2NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C=N1	REAL300013942761	1	55	0.0	-39.51	418.30	7.33	-32.18
NC(=O)C1=CSC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=N1	REAL300013942834	1	42	0.0	-40.89	355.08	0.07	-40.82
C[N@@H+]1CCCC1CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013942876	0	45	0.0	-73.48	354.82	6.58	-66.90
C[N@H+]1CCCC1CCNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013942876	1	45	0.0	-76.90	353.31	6.30	-70.60
C[N@@H+]1CCCC1CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013942877	0	45	0.0	-73.78	358.64	6.76	-67.02
C[N@H+]1CCCC1CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013942877	1	45	0.0	-77.12	353.32	6.27	-70.85
C[N@@H+]1CCCC1CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013942878	0	55	0.0	-76.59	412.68	10.66	-65.93
C[N@H+]1CCCC1CCNC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013942878	1	55	0.0	-69.14	403.50	10.04	-59.10
C[N@@H+]1CCCC1CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013942879	0	49	0.0	-60.28	357.14	4.63	-55.65
C[N@H+]1CCCC1CCNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013942879	1	49	0.0	-65.39	355.62	4.34	-61.05
CC(NC(=O)NCCC1CCC[N@@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013942880	0	54	0.0	-78.68	391.64	6.90	-71.78
CC(NC(=O)NCCC1CCC[N@H+]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013942880	1	54	0.0	-72.57	395.51	7.38	-65.19
C[N@@H+]1CCCC1CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013942881	0	51	0.0	-61.83	385.93	7.79	-54.04
C[N@H+]1CCCC1CCNC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013942881	1	51	0.0	-66.72	384.42	7.50	-59.22
C[N@@H+]1CCCC1CCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013942882	0	51	0.0	-70.89	375.32	8.57	-62.32
C[N@H+]1CCCC1CCNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013942882	1	51	0.0	-75.24	369.73	8.11	-67.13
C[N@@H+]1CCCC1CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013942883	0	47	0.0	-71.32	352.45	5.28	-66.04
C[N@H+]1CCCC1CCNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013942883	1	47	0.0	-73.57	346.86	4.93	-68.64
CC(C)C[C@H](CNC(=O)NCCC1CCC[N@@H+]1C)CC(=O)[O-]	REAL300013942884	0	53	0.0	-73.29	382.08	6.57	-66.72
CC(C)C[C@H](CNC(=O)NCCC1CCC[N@H+]1C)CC(=O)[O-]	REAL300013942884	1	53	0.0	-65.10	388.96	7.08	-58.02
C[N@@H+]1CCCC1CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013942885	0	45	0.0	-63.86	348.43	6.68	-57.18
C[N@H+]1CCCC1CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013942885	1	45	0.0	-70.80	346.93	6.39	-64.41
COCC1(C(=O)[O-])CCN(C(=O)NCCC2CCC[N@@H+]2C)C1	REAL300013942886	0	49	0.0	-70.59	368.97	5.66	-64.93
COCC1(C(=O)[O-])CCN(C(=O)NCCC2CCC[N@H+]2C)C1	REAL300013942886	1	49	0.0	-74.11	374.08	5.88	-68.23
C[N@@H+]1CCCC1CCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013942887	0	50	0.0	-70.14	370.10	4.07	-66.07
C[N@H+]1CCCC1CCNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013942887	1	50	0.0	-76.14	368.51	3.78	-72.36
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCCC3CCC[N@@H+]3C)C2)C=N1	REAL300013942888	0	55	0.0	-82.39	412.54	7.95	-74.44
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)NCCC3CCC[N@H+]3C)C2)C=N1	REAL300013942888	1	55	0.0	-74.95	408.43	8.07	-66.88
C[N@@H+]1CCCC1CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013942889	0	45	0.0	-73.78	358.64	6.76	-67.02
C[N@H+]1CCCC1CCNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013942889	1	45	0.0	-77.12	353.32	6.27	-70.85
COC(=O)C1CC2(C1)CN(C(=O)NCCC1CCC[N@@H+]1C)CC2C(=O)[O-]	REAL300013942890	0	55	0.0	-64.87	412.16	8.33	-56.54
COC(=O)C1CC2(C1)CN(C(=O)NCCC1CCC[N@H+]1C)CC2C(=O)[O-]	REAL300013942890	1	55	0.0	-61.90	414.05	8.53	-53.37
C[N@@H+]1CCCC1CCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013942891	0	51	0.0	-72.37	368.74	8.54	-63.83
C[N@H+]1CCCC1CCNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013942891	1	51	0.0	-81.89	363.27	8.06	-73.83
C[N@@H+]1CCCC1CCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013942892	0	53	0.0	-72.49	403.05	7.60	-64.89
C[N@H+]1CCCC1CCNC(=O)NCCCCCCCC(=O)[O-]	REAL300013942892	1	53	0.0	-77.14	401.54	7.30	-69.84
COCC1(C(=O)[O-])CCCN(C(=O)NCCC2CCC[N@@H+]2C)C1	REAL300013942893	0	52	0.0	-83.15	375.11	7.30	-75.85
COCC1(C(=O)[O-])CCCN(C(=O)NCCC2CCC[N@H+]2C)C1	REAL300013942893	1	52	0.0	-76.95	381.38	7.65	-69.30
COCCN(CCC(=O)[O-])C(=O)NCCC1CCC[N@@H+]1C	REAL300013942894	0	48	0.0	-58.70	364.78	5.93	-52.77
COCCN(CCC(=O)[O-])C(=O)NCCC1CCC[N@H+]1C	REAL300013942894	1	48	0.0	-57.07	366.38	6.22	-50.85
C[N@@H+]1CCCC1CCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013942895	0	54	0.0	-73.63	408.70	9.13	-64.50
C[N@H+]1CCCC1CCNC(=O)N1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300013942895	1	54	0.0	-81.51	402.49	8.13	-73.38
C[N@@H+]1CCCC1CCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013942896	0	51	0.0	-72.68	375.69	8.58	-64.10
C[N@H+]1CCCC1CCNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013942896	1	51	0.0	-73.26	372.12	8.40	-64.86
C[N@@H+]1CCCC1CCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013942897	0	49	0.0	-76.76	369.08	9.10	-67.66
C[N@H+]1CCCC1CCNC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013942897	1	49	0.0	-83.67	363.43	8.63	-75.04
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCC2CCC[N@H+]2C)CCO1	REAL300013942898	0	56	0.0	-71.44	425.46	6.73	-64.71
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)NCCC2CCC[N@@H+]2C)CCO1	REAL300013942898	1	56	0.0	-65.78	421.34	6.71	-59.07
C[N@@H+]1CCCC1CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013942899	0	46	0.0	-65.16	347.94	5.91	-59.25
C[N@H+]1CCCC1CCNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013942899	1	46	0.0	-68.70	342.27	5.42	-63.28
C[N@@H+]1CCCC1CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013942900	0	52	0.0	-65.83	390.58	9.21	-56.62
C[N@H+]1CCCC1CCNC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300013942900	1	52	0.0	-63.81	394.10	9.52	-54.29
C[N@@H+]1CCCC1CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013942901	0	49	0.0	-71.00	380.94	7.98	-63.02
C[N@H+]1CCCC1CCNC(=O)NC1CC(C(=O)[O-])C2=CC=CC=C21	REAL300013942901	1	49	0.0	-74.91	375.97	7.52	-67.39
C[N@@H+]1CCCC1CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013942902	0	52	0.0	-74.81	394.54	6.21	-68.60
C[N@H+]1CCCC1CCNC(=O)NC1CCCCN(CC(=O)[O-])C1=O	REAL300013942902	1	52	0.0	-85.65	381.71	6.50	-79.15
COCC1(C(=O)[O-])CCN(C(=O)NCCC2CCC[N@@H+]2C)CC1	REAL300013942903	0	52	0.0	-78.29	374.54	6.08	-72.21
COCC1(C(=O)[O-])CCN(C(=O)NCCC2CCC[N@H+]2C)CC1	REAL300013942903	1	52	0.0	-73.91	380.12	7.22	-66.69
C[N@@H+]1CCCC1CCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013942904	0	54	0.0	-66.14	382.31	7.42	-58.72
C[N@H+]1CCCC1CCNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013942904	1	54	0.0	-68.06	376.40	6.95	-61.11
C[N@@H+]1CCCC1CCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013942905	0	51	0.0	-72.75	381.02	7.19	-65.56
C[N@H+]1CCCC1CCNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013942905	1	51	0.0	-76.98	375.73	6.69	-70.29
C[N@@H+]1CCCC1CCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013942906	0	49	0.0	-71.38	369.68	7.25	-64.13
C[N@H+]1CCCC1CCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013942906	1	49	0.0	-76.77	364.10	6.77	-70.00
C[N@@H+]1CCCC1CCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013942907	0	49	0.0	-64.47	357.83	4.55	-59.92
C[N@H+]1CCCC1CCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013942907	1	49	0.0	-63.77	357.88	4.55	-59.22
C[N@@H+]1CCCC1CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013942908	0	57	0.0	-72.70	430.04	8.95	-63.75
C[N@H+]1CCCC1CCNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300013942908	1	57	0.0	-76.55	427.95	8.66	-67.89
C[N@@H+]1CCCC1CCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013942909	0	49	0.0	-63.68	360.39	7.79	-55.89
C[N@H+]1CCCC1CCNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013942909	1	49	0.0	-63.40	360.74	7.78	-55.62
C[N@@H+]1CCCC1CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013942910	0	45	0.0	-62.53	355.38	7.00	-55.53
C[N@H+]1CCCC1CCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013942910	1	45	0.0	-69.76	349.48	6.51	-63.25
COC1CC(C(=O)[O-])CN(C(=O)NCCC2CCC[N@@H+]2C)C1	REAL300013942911	0	49	0.0	-61.23	362.62	5.67	-55.56
COC1CC(C(=O)[O-])CN(C(=O)NCCC2CCC[N@H+]2C)C1	REAL300013942911	1	49	0.0	-62.09	361.46	5.78	-56.31
C[N@@H+]1CCCC1CCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013942912	0	54	0.0	-79.70	414.02	5.70	-74.00
C[N@H+]1CCCC1CCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013942912	1	54	0.0	-80.24	408.34	5.21	-75.03
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CCC(C(=O)[O-])CC1	REAL300013942913	0	51	0.0	-72.69	370.37	8.82	-63.87
CC(C[NH+]1CCC(C)CC1)NC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013942914	0	51	0.0	-76.40	394.85	8.59	-67.81
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CCOC(C(=O)[O-])C1	REAL300013942915	0	49	0.0	-60.61	363.55	7.27	-53.34
CC(C[NH+]1CCC(C)CC1)NC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013942916	0	54	0.0	-67.68	391.40	8.55	-59.13
CC(C[NH+]1CCC(C)CC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013942917	0	51	0.0	-77.12	394.87	8.59	-68.53
CC(C[NH+]1CCC(C)CC1)NC(=O)NCCCCCC(=O)[O-]	REAL300013942918	0	53	0.0	-73.80	400.10	8.06	-65.74
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300013942919	0	61	0.0	-77.03	443.53	12.19	-64.84
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013942920	0	51	0.0	-77.46	373.41	8.19	-69.27
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013942921	0	54	0.0	-78.70	391.78	9.47	-69.23
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013942922	0	54	0.0	-76.87	384.05	9.13	-67.74
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013942923	0	54	0.0	-77.27	385.29	8.96	-68.31
CC(C[NH+]1CCC(C)CC1)NC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013942924	0	55	0.0	-61.40	397.84	6.36	-55.04
CC(C[NH+]1CCC(C)CC1)NC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013942925	0	53	0.0	-70.00	390.38	7.38	-62.62
CCC(CC)(CNC(=O)NC(C)C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013942926	0	56	0.0	-63.61	402.70	8.18	-55.43
CC(C)C(CNC(=O)NC(C)C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300013942927	0	53	0.0	-64.32	392.89	7.66	-56.66
CC(C[NH+]1CCC(C)CC1)NC(=O)NC(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013942928	0	60	0.0	-76.41	433.89	9.55	-66.86
CC(C[NH+]1CCC(C)CC1)NC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300013942929	0	57	0.0	-64.29	425.63	9.70	-54.59
CC(C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013942930	0	51	0.0	-69.71	378.45	7.75	-61.96
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013942931	0	57	0.0	-74.43	411.18	10.27	-64.16
CC(C[NH+]1CCC(C)CC1)NC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013942932	0	53	0.0	-72.25	388.40	7.11	-65.14
CC(C[NH+]1CCC(C)CC1)NC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013942933	0	54	0.0	-63.00	395.55	8.55	-54.45
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013942934	0	54	0.0	-71.94	382.47	9.24	-62.70
CC(C[NH+]1CCC(C)CC1)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013942935	0	51	0.0	-60.94	377.24	7.73	-53.21
CC(C[NH+]1CCC(C)CC1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013942936	0	54	0.0	-71.09	403.00	8.51	-62.58
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013942937	0	54	0.0	-76.87	384.05	9.13	-67.74
CC(C)C[C@H](CNC(=O)NC(C)C[NH+]1CCC(C)CC1)CC(=O)[O-]	REAL300013942938	0	59	0.0	-65.76	429.00	9.10	-56.66
CC(C[NH+]1CCC(C)CC1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013942939	0	51	0.0	-62.87	388.46	8.69	-54.18
COCC1(C(=O)[O-])CCN(C(=O)NC(C)C[NH+]2CCC(C)CC2)C1	REAL300013942940	0	55	0.0	-76.55	407.12	7.26	-69.29
CC(C[NH+]1CCC(C)CC1)NC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013942941	0	56	0.0	-72.85	408.99	5.68	-67.17
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CC(C(=O)[O-])CC(C2=CN(C)N=C2)C1	REAL300013942942	0	61	0.0	-69.05	448.70	10.30	-58.75
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013942943	0	51	0.0	-56.15	370.95	8.83	-47.32
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013942944	0	51	0.0	-78.78	371.83	8.87	-69.91
CC(C[NH+]1CCC(C)CC1)NC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013942945	0	51	0.0	-77.12	394.87	8.59	-68.53
COC(=O)C1CC2(C1)CN(C(=O)NC(C)C[NH+]1CCC(C)CC1)CC2C(=O)[O-]	REAL300013942946	0	61	0.0	-59.80	450.19	10.15	-49.65
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013942947	0	57	0.0	-80.75	404.58	10.21	-70.54
CC(C[NH+]1CCC(C)CC1)NC(=O)NCCCCCCCC(=O)[O-]	REAL300013942948	0	59	0.0	-76.11	443.09	9.62	-66.49
CC(C[NH+]1CCC(C)CC1)NC(=O)NCCCCCCC(=O)[O-]	REAL300013942949	0	56	0.0	-77.06	421.59	8.84	-68.22
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013942950	0	54	0.0	-79.43	386.02	9.60	-69.83
COCC1(C(=O)[O-])CCCN(C(=O)NC(C)C[NH+]2CCC(C)CC2)C1	REAL300013942951	0	58	0.0	-83.87	417.56	9.37	-74.50
COCCN(CCC(=O)[O-])C(=O)NC(C)C[NH+]1CCC(C)CC1	REAL300013942952	0	54	0.0	-54.71	406.42	8.23	-46.48
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013942953	0	57	0.0	-63.53	409.42	9.93	-53.60
CC(C[NH+]1CCC(C)CC1)NC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300013942954	0	55	0.0	-75.01	403.78	11.59	-63.42
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C[N@H+]1CCC[C@@H]1CNC(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300013944064	1	51	0.0	-64.57	357.71	6.74	-57.83
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CC[N@H+]1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC12CCOC2	REAL300013955341	1	50	0.0	-59.06	354.45	6.15	-52.91
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CCOCC[N@H+](C)CC(CC1=CC=CC=C1)NC(=O)NCC1(C(=O)[O-])CCC1	REAL300013955383	0	61	0.0	-56.19	464.09	9.92	-46.27
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CN(C(=O)NCC1(C(=O)[O-])CCC1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013955389	0	55	0.0	-58.93	403.06	11.21	-47.72
CN(C(=O)NCC1(C(=O)[O-])CCC1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300013955432	0	48	0.0	-66.49	364.75	6.14	-60.35
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CC(C)(C)[N@H+]1CCCC(NC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013955439	1	51	0.0	-57.78	367.16	6.58	-51.20
CN(C)C1=CC=C(CCNC(=O)NCC2(C(=O)[O-])CCC2)C=[NH+]1	REAL300013955473	1	47	0.0	-59.05	370.40	6.62	-52.43
C[N@@H+]1CC(NC(=O)NCC2(C(=O)[O-])CCC2)CC12CCCC2	REAL300013955474	0	49	0.0	-54.24	355.73	6.78	-47.46
C[N@H+]1CC(NC(=O)NCC2(C(=O)[O-])CCC2)CC12CCCC2	REAL300013955474	1	49	0.0	-57.66	359.29	6.93	-50.73
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CC1=CC=C(C[NH+]2CCN(C(=O)NCC3(C(=O)[O-])CCC3)CC2)C=C1	REAL300013955540	1	52	0.0	-59.77	392.10	10.33	-49.44
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CC(C)[N@H+](C)C1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013955560	0	51	0.0	-58.81	359.43	8.19	-50.62
CC(C)[N@@H+](C)C1CCN(C(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013955560	1	51	0.0	-64.07	358.99	8.19	-55.88
O=C([O-])C1(CNC(=O)NCC2CCC[N@@H+](C3CCCC3)C2)CCC1	REAL300013955566	0	55	0.0	-60.69	392.41	8.54	-52.15
O=C([O-])C1(CNC(=O)NCC2CCC[N@H+](C3CCCC3)C2)CCC1	REAL300013955566	1	55	0.0	-61.27	393.77	8.54	-52.73
C[NH+](C)CCC1CN(C(=O)NCC2(C(=O)[O-])CCC2)CCO1	REAL300013955578	0	49	0.0	-63.45	366.12	6.72	-56.73
CC(CNC(=O)NCC1(C(=O)[O-])CCC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013955602	1	50	0.0	-57.29	386.25	7.27	-50.02
CN(C)C1=CC=C(C(C)(C)CNC(=O)NCC2(C(=O)[O-])CCC2)C=[NH+]1	REAL300013955605	1	53	0.0	-56.56	399.02	7.67	-48.89
O=C([O-])C1(CNC(=O)NCC2CCCC3=[NH+]C=CN32)CCC1	REAL300013955621	1	44	0.0	-52.08	338.02	6.94	-45.14
CCCC1=[NH+]C=CN1C1CCCN(C(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013955685	1	53	0.0	-58.52	400.41	10.20	-48.32
O=C([O-])C1(CNC(=O)NCC2CCCC3=[NH+]C=CN32)CCC1	REAL300013955732	1	44	0.0	-52.08	338.02	6.94	-45.14
CC1(C)CC(NC(=O)NCC2(C(=O)[O-])CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013955780	0	55	0.0	-59.09	411.84	8.97	-50.12
CC1(C)CC(NC(=O)NCC2(C(=O)[O-])CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300013955780	1	55	0.0	-58.65	407.00	9.07	-49.58
C[NH+](C)CC1=CC=C(CCNC(=O)NCC2(C(=O)[O-])CCC2)C=C1	REAL300013955805	0	51	0.0	-70.26	398.16	8.49	-61.77
O=C([O-])C1(CNC(=O)NC2CCCC[N@H+](CC3=CC=CC=C3)C2)CCC1	REAL300013955811	0	55	0.0	-65.14	406.54	9.35	-55.79
O=C([O-])C1(CNC(=O)NC2CCCC[N@@H+](CC3=CC=CC=C3)C2)CCC1	REAL300013955811	1	55	0.0	-62.60	405.41	9.47	-53.13
C[C@@H]1C[N@H+](C2CCN(C(=O)NCC3(C(=O)[O-])CCC3)CC2)C[C@H](C)O1	REAL300013955882	0	56	0.0	-66.31	403.47	8.20	-58.11
C[C@@H]1C[N@@H+](C2CCN(C(=O)NCC3(C(=O)[O-])CCC3)CC2)C[C@H](C)O1	REAL300013955882	1	56	0.0	-66.56	396.88	8.19	-58.37
COC1=CC=C(F)C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013955913	1	46	0.0	-36.92	368.32	5.57	-31.35
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2CC2(F)F)CC1	REAL300013955960	1	42	0.0	-43.37	338.00	5.70	-37.67
O=C([O-])C1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	REAL300013955984	0	52	0.0	-73.86	383.49	9.37	-64.49
O=C([O-])C1=CC=C(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)C=C1	REAL300013955985	0	52	0.0	-77.69	405.83	9.00	-68.69
O=C([O-])C1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CCO1	REAL300013955986	0	50	0.0	-64.95	376.00	7.78	-57.17
O=C([O-])C1CCC(NC(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	REAL300013955987	0	55	0.0	-68.94	402.71	9.07	-59.87
O=C([O-])CCCCNC(=O)NCC1CC[NH+](CC2CC2)CC1	REAL300013955988	0	51	0.0	-77.70	389.57	7.68	-70.02
O=C([O-])C1=CC(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)=CC=C1	REAL300013955989	0	52	0.0	-77.18	405.84	8.99	-68.19
O=C([O-])CCCCCNC(=O)NCC1CC[NH+](CC2CC2)CC1	REAL300013955990	0	54	0.0	-76.11	411.07	8.46	-67.65
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	REAL300013955991	0	62	0.0	-80.21	457.93	12.82	-67.39
CC(C)(CNC(=O)NCC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013955992	0	51	0.0	-78.17	381.43	7.57	-70.60
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013955993	0	52	0.0	-77.58	388.92	8.96	-68.62
CC1CC(C(=O)[O-])CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013955994	0	55	0.0	-60.07	399.94	10.17	-49.90
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	REAL300013955995	0	55	0.0	-77.10	395.98	9.69	-67.41
CC1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1C(=O)[O-]	REAL300013955996	0	55	0.0	-80.37	399.03	9.78	-70.59
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)CCOCC1	REAL300013955997	0	56	0.0	-64.65	409.14	6.88	-57.77
CC(C)(CCNC(=O)NCC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013955998	0	54	0.0	-72.95	400.77	7.76	-65.19
CCC(CC)(CNC(=O)NCC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013955999	0	57	0.0	-66.00	408.95	8.74	-57.26
CC(C)C(CNC(=O)NCC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013956000	0	54	0.0	-67.89	403.86	8.05	-59.84
CC(NC(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013956001	0	61	0.0	-80.20	440.39	9.46	-70.74
CC(CNC(=O)NCC1CC[NH+](CC2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300013956002	0	58	0.0	-69.07	436.94	10.22	-58.85
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O=C([O-])CCC1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	REAL300013956004	0	58	0.0	-77.24	424.34	10.86	-66.38
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O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)CCCC1	REAL300013956006	0	55	0.0	-67.64	406.53	8.95	-58.69
CC1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CCC1C(=O)[O-]	REAL300013956007	0	55	0.0	-72.48	396.20	10.06	-62.42
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)CCC1	REAL300013956008	0	52	0.0	-64.73	388.54	8.25	-56.48
O=C([O-])CC(CNC(=O)NCC1CC[NH+](CC2CC2)CC1)C1CC1	REAL300013956009	0	55	0.0	-77.62	413.57	8.88	-68.74
CC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	REAL300013956010	0	55	0.0	-77.10	395.98	9.69	-67.41
CC(C)C[C@H](CNC(=O)NCC1CC[NH+](CC2CC2)CC1)CC(=O)[O-]	REAL300013956011	0	60	0.0	-69.61	439.96	9.51	-60.10
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[NH+](CC2CC2)CC1	REAL300013956012	0	52	0.0	-72.32	399.43	9.11	-63.21
COCC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013956013	0	56	0.0	-78.30	420.84	8.04	-70.26
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013956014	0	49	0.0	-72.96	370.46	7.21	-65.75
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O=C([O-])[C@H]1C[C@H](NC(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013956019	0	49	0.0	-74.58	373.36	7.50	-67.08
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CCC(CNC(=O)NCC1CC[NH+](CC2CC2)CC1)C(=O)[O-]	REAL300013956021	0	51	0.0	-67.42	387.07	7.56	-59.86
O=C([O-])CCC1CCCCN1C(=O)NCC1CC[NH+](CC2CC2)CC1	REAL300013956022	0	58	0.0	-84.23	415.90	10.76	-73.47
O=C([O-])CCCCCCCNC(=O)NCC1CC[NH+](CC2CC2)CC1	REAL300013956023	0	60	0.0	-78.18	454.06	10.02	-68.16
O=C([O-])CCCCCCNC(=O)NCC1CC[NH+](CC2CC2)CC1	REAL300013956024	0	57	0.0	-79.27	432.57	9.24	-70.03
CN(CCCC(=O)[O-])C(=O)NCC1CC[NH+](CC2CC2)CC1	REAL300013956025	0	51	0.0	-78.60	385.70	9.30	-69.30
CC1(C(=O)[O-])CCCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013956026	0	55	0.0	-82.12	397.79	10.11	-72.01
COCC1(C(=O)[O-])CCCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013956027	0	59	0.0	-86.74	429.83	9.28	-77.46
COCCN(CCC(=O)[O-])C(=O)NCC1CC[NH+](CC2CC2)CC1	REAL300013956028	0	55	0.0	-59.72	417.38	8.66	-51.06
O=C([O-])CCC1CCCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013956029	0	58	0.0	-81.06	422.95	10.83	-70.23
O=C([O-])C1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC2=CC=CC=C21	REAL300013956030	0	56	0.0	-84.79	415.17	12.14	-72.65
O=C([O-])C(=O)N1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	REAL300013956031	0	53	0.0	-73.69	395.02	8.16	-65.53
CC1CCC(C(=O)[O-])CN1C(=O)NCC1CC[NH+](CC2CC2)CC1	REAL300013956032	0	55	0.0	-59.90	396.61	9.96	-49.94
O=C([O-])[C@@H]1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@H]1C1=CC=CC=C1	REAL300013956033	0	59	0.0	-65.83	444.70	11.91	-53.92
O=C([O-])C1(O)CCCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013956034	0	53	0.0	-78.69	392.21	6.94	-71.75
O=C([O-])C1CC(NC(=O)NCC2CC[NH+](CC3CC3)CC2)C2=CC=CC=C21	REAL300013956035	0	56	0.0	-75.79	428.50	10.23	-65.56
O=C([O-])CN1CCCCC(NC(=O)NCC2CC[NH+](CC3CC3)CC2)C1=O	REAL300013956036	0	59	0.0	-88.07	434.14	9.22	-78.85
COCC1(C(=O)[O-])CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	REAL300013956037	0	59	0.0	-79.72	426.64	9.44	-70.28
O=C([O-])C12CC(NC(=O)NCC3CC[NH+](CC4CC4)CC3)(C1)C2	REAL300013956038	0	50	0.0	-79.71	384.33	7.64	-72.07
O=C([O-])CC1(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)CCCCC1	REAL300013956039	0	61	0.0	-74.32	429.46	9.65	-64.67
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	REAL300013956040	0	55	0.0	-70.73	401.37	8.88	-61.85
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	REAL300013956041	0	58	0.0	-77.03	426.89	9.38	-67.65
O=C([O-])CC1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	REAL300013956042	0	55	0.0	-77.30	402.02	10.08	-67.22
O=C([O-])COC1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	REAL300013956043	0	56	0.0	-77.27	418.56	9.46	-67.81
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013956044	0	55	0.0	-73.93	408.47	8.69	-65.24
O=C([O-])C1CCCC(NC(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013956045	0	55	0.0	-73.24	407.93	8.68	-64.56
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)CCCOC1	REAL300013956046	0	56	0.0	-70.63	413.27	7.53	-63.10
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)CCOC1	REAL300013956047	0	53	0.0	-66.75	395.21	6.23	-60.52
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1CC[NH+](CC3CC3)CC1)C2	REAL300013956048	0	50	0.0	-72.72	384.72	8.19	-64.53
O=C([O-])C1(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)CC1	REAL300013956049	0	49	0.0	-62.77	373.34	7.73	-55.04
O=C([O-])C1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CC12CCC2	REAL300013956050	0	56	0.0	-66.61	410.33	10.16	-56.45
O=C([O-])C1(C(F)(F)F)CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013956051	0	52	0.0	-69.80	402.01	9.23	-60.57
CC1(C(=O)[O-])CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)CCO1	REAL300013956052	0	53	0.0	-81.70	390.42	8.63	-73.07
COC1CC(C(=O)[O-])CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013956053	0	56	0.0	-63.88	413.60	8.47	-55.41
O=C([O-])C1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1	REAL300013956054	0	49	0.0	-76.24	369.20	8.49	-67.75
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCC1CC[NH+](CC3CC3)CC1)C2	REAL300013956055	0	50	0.0	-79.44	381.64	7.94	-71.50
CC(CCC(=O)[O-])NC(=O)NCC1CC[NH+](CC2CC2)CC1	REAL300013956056	0	51	0.0	-69.88	387.82	7.91	-61.97
COC1=CC=CC=C1C1=NOC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1	REAL300013956088	1	52	0.0	-41.55	415.02	6.96	-34.59
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3CCCNC3=O)C=C2)CC1	REAL300013956154	1	55	0.0	-46.11	430.18	6.03	-40.08
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013956189	1	57	0.0	-76.90	415.52	8.35	-68.55
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300013956189	1	57	0.0	-75.01	421.44	8.69	-66.32
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013956190	1	57	0.0	-78.51	429.62	6.82	-71.69
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013956190	1	57	0.0	-80.69	438.29	8.03	-72.66
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013956191	1	55	0.0	-82.86	414.24	6.92	-75.94
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300013956191	1	55	0.0	-65.35	406.97	6.62	-58.73
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013956192	1	60	0.0	-81.79	447.94	7.93	-73.86
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300013956192	1	60	0.0	-76.95	435.17	8.11	-68.84
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCCCC(=O)[O-])C1	REAL300013956193	1	56	0.0	-78.88	429.08	6.95	-71.93
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCCCC(=O)[O-])C1	REAL300013956193	1	56	0.0	-79.97	422.04	6.70	-73.27
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013956194	1	57	0.0	-76.69	445.32	8.23	-68.46
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013956194	1	57	0.0	-77.55	438.29	8.02	-69.53
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCC(=O)[O-])C1	REAL300013956195	1	50	0.0	-76.07	370.36	3.92	-72.15
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCC(=O)[O-])C1	REAL300013956195	1	50	0.0	-77.17	379.04	5.13	-72.04
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013956196	1	59	0.0	-77.37	450.58	7.73	-69.64
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCCCCC(=O)[O-])C1	REAL300013956196	1	59	0.0	-78.54	443.53	7.49	-71.05
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013956197	1	56	0.0	-79.77	405.80	5.37	-74.40
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC(C)(C)C(=O)[O-])C1	REAL300013956197	1	56	0.0	-80.32	413.89	6.60	-73.72
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013956198	1	57	0.0	-81.60	425.93	8.19	-73.41
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300013956198	1	57	0.0	-78.78	418.59	8.01	-70.77
CC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@H+](C)CCN2CC2=CC=CC=C2)C1	REAL300013956199	1	60	0.0	-65.07	437.71	9.46	-55.61
CC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@@H+](C)CCN2CC2=CC=CC=C2)C1	REAL300013956199	1	60	0.0	-66.78	438.81	9.41	-57.37
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013956200	1	60	0.0	-80.33	435.34	8.94	-71.39
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013956200	1	60	0.0	-73.42	427.58	8.60	-64.82
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCCC(=O)[O-])C1	REAL300013956201	1	53	0.0	-73.36	407.59	6.17	-67.19
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCCC(=O)[O-])C1	REAL300013956201	1	53	0.0	-74.68	400.54	5.92	-68.76
CC1CCN(C(=O)NCC2C[N@H+](C)CCN2CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300013956202	1	60	0.0	-65.12	431.85	8.86	-56.26
CC1CCN(C(=O)NCC2C[N@@H+](C)CCN2CC2=CC=CC=C2)CC1C(=O)[O-]	REAL300013956202	1	60	0.0	-65.41	424.41	8.42	-56.99
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013956203	1	59	0.0	-73.37	425.15	5.59	-67.78
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCC(C)(C)C(=O)[O-])C1	REAL300013956203	1	59	0.0	-75.50	433.82	6.81	-68.69
CCC(CC)(CNC(=O)NCC1C[N@H+](C)CCN1CC1=CC=CC=C1)C(=O)[O-]	REAL300013956204	1	62	0.0	-72.64	453.18	7.84	-64.80
CCC(CC)(CNC(=O)NCC1C[N@@H+](C)CCN1CC1=CC=CC=C1)C(=O)[O-]	REAL300013956204	1	62	0.0	-66.94	446.13	7.61	-59.33
CC(CNC(=O)NCC1C[N@H+](C)CCN1CC1=CC=CC=C1)C(=O)[O-]	REAL300013956205	1	53	0.0	-77.96	388.91	4.67	-73.29
CC(CNC(=O)NCC1C[N@@H+](C)CCN1CC1=CC=CC=C1)C(=O)[O-]	REAL300013956205	1	53	0.0	-77.01	404.70	6.12	-70.89
CC(C)C(CNC(=O)NCC1C[N@H+](C)CCN1CC1=CC=CC=C1)C(=O)[O-]	REAL300013956206	1	59	0.0	-69.93	427.64	5.86	-64.07
CC(C)C(CNC(=O)NCC1C[N@@H+](C)CCN1CC1=CC=CC=C1)C(=O)[O-]	REAL300013956206	1	59	0.0	-65.30	436.94	7.39	-57.91
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013956207	1	57	0.0	-74.12	421.62	6.99	-67.13
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300013956207	1	57	0.0	-74.28	421.52	6.96	-67.32
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013956208	1	60	0.0	-74.53	446.53	8.46	-66.07
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300013956208	1	60	0.0	-72.35	436.56	7.67	-64.68
CC1CN(C(=O)NCC2C[N@H+](C)CCN2CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300013956209	1	60	0.0	-73.78	433.68	9.23	-64.55
CC1CN(C(=O)NCC2C[N@@H+](C)CCN2CC2=CC=CC=C2)CCC1C(=O)[O-]	REAL300013956209	1	60	0.0	-74.83	438.02	8.96	-65.87
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013956210	1	57	0.0	-72.16	428.54	7.77	-64.39
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2(C(=O)[O-])CCC2)C1	REAL300013956210	1	57	0.0	-72.16	421.01	7.28	-64.88
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013956211	1	60	0.0	-77.04	453.05	7.95	-69.09
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013956211	1	60	0.0	-77.03	437.91	8.34	-68.69
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013956212	1	60	0.0	-80.33	435.34	8.94	-71.39
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300013956212	1	60	0.0	-73.42	427.58	8.60	-64.82
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013956213	1	57	0.0	-79.77	438.93	8.34	-71.43
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013956213	1	57	0.0	-68.80	439.03	8.36	-60.44
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013956214	1	54	0.0	-75.66	405.30	6.29	-69.37
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013956214	1	54	0.0	-75.02	412.74	6.73	-68.29
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013956215	1	57	0.0	-62.26	414.01	8.06	-54.20
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300013956215	1	57	0.0	-65.93	414.84	8.17	-57.76
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013956216	1	57	0.0	-82.75	407.22	7.25	-75.50
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300013956216	1	57	0.0	-82.87	414.66	8.32	-74.55
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013956217	1	54	0.0	-78.02	412.98	6.99	-71.03
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NC2CC(C(=O)[O-])C2)C1	REAL300013956217	1	54	0.0	-76.75	405.99	6.49	-70.26
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013956218	1	54	0.0	-75.83	405.18	6.34	-69.49
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300013956218	1	54	0.0	-78.77	413.15	6.87	-71.90
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013956219	1	57	0.0	-76.69	445.32	8.23	-68.46
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013956219	1	57	0.0	-77.55	438.29	8.02	-69.53
CCC(CNC(=O)NCC1C[N@H+](C)CCN1CC1=CC=CC=C1)C(=O)[O-]	REAL300013956220	1	56	0.0	-71.41	420.59	6.87	-64.54
CCC(CNC(=O)NCC1C[N@@H+](C)CCN1CC1=CC=CC=C1)C(=O)[O-]	REAL300013956220	1	56	0.0	-66.22	426.65	6.82	-59.40
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013956221	1	62	0.0	-80.45	472.08	8.51	-71.94
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCCCCCCC(=O)[O-])C1	REAL300013956221	1	62	0.0	-81.46	465.03	8.27	-73.19
CN(CCCC(=O)[O-])C(=O)NCC1C[N@H+](C)CCN1CC1=CC=CC=C1	REAL300013956222	1	56	0.0	-76.65	425.18	8.54	-68.11
CN(CCCC(=O)[O-])C(=O)NCC1C[N@@H+](C)CCN1CC1=CC=CC=C1	REAL300013956222	1	56	0.0	-82.98	418.15	8.31	-74.67
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300013956223	1	60	0.0	-57.08	437.60	8.76	-48.32
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CC1CCC(C(=O)[O-])CN1C(=O)NCC1C[N@@H+](C)CCN1CC1=CC=CC=C1	REAL300013956225	1	60	0.0	-62.52	429.71	8.73	-53.79
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C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCC(CC(=O)[O-])CC2)C1	REAL300013956229	1	60	0.0	-70.97	439.97	9.39	-61.58
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C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013956231	1	60	0.0	-73.77	442.99	8.34	-65.43
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NC2CCCC(C(=O)[O-])C2)C1	REAL300013956231	1	60	0.0	-77.09	440.54	7.51	-69.58
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013956232	1	58	0.0	-64.40	434.57	5.45	-58.95
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2(C(=O)[O-])CCOC2)C1	REAL300013956232	1	58	0.0	-64.51	427.16	5.02	-59.49
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C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300013956235	1	58	0.0	-82.82	422.54	7.42	-75.40
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CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300013956507	1	54	0.0	-73.88	409.48	9.04	-64.84
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CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013957085	0	55	0.0	-73.93	412.32	9.47	-64.46
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013957085	1	55	0.0	-73.09	412.11	9.45	-63.64
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300013957086	1	52	0.0	-74.26	403.01	8.57	-65.69
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@H+]1CCC2=C(C=CS2)C1	REAL300013957086	1	52	0.0	-72.86	403.68	8.83	-64.03
O=C([O-])CC(CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)C1CC1	REAL300013957104	0	58	0.0	-66.33	415.82	10.76	-55.57
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013957106	0	54	0.0	-77.95	436.52	11.64	-66.31
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013957107	0	54	0.0	-78.28	426.19	11.20	-67.08
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CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013957121	0	58	0.0	-70.68	421.24	8.37	-62.31
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CC(C)(C[NH+]1CCCC1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958204	0	51	0.0	-72.46	371.33	7.95	-64.51
CN(C(=O)NCC(CC(=O)[O-])C1CC1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300013958209	0	54	0.0	-82.83	414.73	9.82	-73.01
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CC(C)[N@H+]1CCC(N(C)C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013958210	1	51	0.0	-65.28	373.83	8.42	-56.86
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958231	0	58	0.0	-69.93	414.57	12.06	-57.87
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958231	1	58	0.0	-70.36	423.07	11.49	-58.87
O=C([O-])CC(CNC(=O)NCC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013958237	0	56	0.0	-75.22	433.46	6.37	-68.85
O=C([O-])CC(CNC(=O)NCC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013958237	1	56	0.0	-73.63	426.78	7.11	-66.52
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013958241	1	59	0.0	-78.96	449.88	8.71	-70.25
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013958241	1	59	0.0	-66.19	449.65	9.21	-56.98
C[NH+](C)CCN(CC1CCCO1)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958251	0	55	0.0	-72.05	415.77	8.52	-63.53
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958256	1	60	0.0	-75.53	450.23	8.71	-66.82
CC(C)C[N@@H+]1CCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013958275	0	54	0.0	-73.89	406.58	8.03	-65.86
CC(C)C[N@H+]1CCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013958275	1	54	0.0	-74.77	405.91	7.95	-66.82
CC1CC(NC(=O)NCC(CC(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013958288	0	55	0.0	-71.88	410.11	9.69	-62.19
CC1CC(NC(=O)NCC(CC(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013958288	1	55	0.0	-73.87	423.65	9.42	-64.45
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958292	0	49	0.0	-67.14	366.51	8.27	-58.87
CC1C[N@H+](C2CC2)CC1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958292	1	49	0.0	-66.32	377.78	7.33	-58.99
C[NH+](C)CCN(C(=O)NCC(CC(=O)[O-])C1CC1)C1CCCC1	REAL300013958296	0	54	0.0	-72.96	387.05	9.53	-63.43
CC(C)CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH2+]C(C)C1=CC=CC=C1	REAL300013958297	0	63	0.0	-74.52	467.04	10.75	-63.77
CCC(C[NH+]1CCCC1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958298	0	51	0.0	-75.04	379.83	7.54	-67.50
CCCC1CN(C(=O)NCC(CC(=O)[O-])C2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013958317	0	61	0.0	-77.68	448.38	12.41	-65.27
CCCC1CN(C(=O)NCC(CC(=O)[O-])C2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013958317	1	61	0.0	-69.13	445.59	12.40	-56.73
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958318	0	54	0.0	-78.35	416.78	9.55	-68.80
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958318	1	54	0.0	-75.19	416.73	9.55	-65.64
CCCN(CCC[NH+](C)C)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958333	0	53	0.0	-73.81	403.79	9.65	-64.16
C[NH+](C)CCOCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958334	0	48	0.0	-71.29	375.66	4.97	-66.32
CCN(CCC[NH+](CC)CC)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958339	0	56	0.0	-71.96	418.49	10.33	-61.63
CCN(CCC[NH+]1CCCC1)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958340	0	54	0.0	-71.47	404.23	9.94	-61.53
CO[C@H]1C[C@@H](CN(C)C(=O)NCC(CC(=O)[O-])C2CC2)[N@H+](C)C1	REAL300013958356	0	52	0.0	-53.18	386.72	7.51	-45.67
CO[C@H]1C[C@@H](CN(C)C(=O)NCC(CC(=O)[O-])C2CC2)[N@@H+](C)C1	REAL300013958356	1	52	0.0	-73.86	378.42	7.26	-66.60
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013958358	0	54	0.0	-74.34	404.68	8.70	-65.64
CC1=CC=CC=C1C(C(C)NC(=O)NCC(CC(=O)[O-])C1CC1)[NH+](C)C	REAL300013958359	0	57	0.0	-72.05	417.49	10.08	-61.97
CCC[N@H+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=C(Cl)C=C1	REAL300013958362	0	57	0.0	-78.02	440.47	10.79	-67.23
CCC[N@@H+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=C(Cl)C=C1	REAL300013958362	1	57	0.0	-76.34	448.79	10.33	-66.01
C[N@H+](CCCCNC(=O)NCC(CC(=O)[O-])C1CC1)C1CC1	REAL300013958377	0	51	0.0	-74.06	393.62	7.69	-66.37
C[N@@H+](CCCCNC(=O)NCC(CC(=O)[O-])C1CC1)C1CC1	REAL300013958377	1	51	0.0	-73.94	393.62	7.68	-66.26
O=C([O-])CC(CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C1CC1	REAL300013958406	1	57	0.0	-70.10	404.75	4.50	-65.60
CC1CC(N(C)C(=O)NCC(CC(=O)[O-])C2CC2)CC[N@@H+]1C	REAL300013958417	0	51	0.0	-72.19	359.13	8.80	-63.39
CC1CC(N(C)C(=O)NCC(CC(=O)[O-])C2CC2)CC[N@H+]1C	REAL300013958417	1	51	0.0	-72.66	359.78	8.79	-63.87
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958425	1	58	0.0	-67.24	451.89	11.08	-56.16
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958425	1	58	0.0	-68.24	453.39	10.32	-57.92
CC1=[NH+]C=CN1CCCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958427	1	49	0.0	-72.04	391.46	7.83	-64.21
C[NH+](C)C1(CNC(=O)NCC(CC(=O)[O-])C2CC2)CC2=CC=CC=C2C1	REAL300013958429	0	55	0.0	-69.33	408.03	8.91	-60.42
CC(C)(O)C[NH+]1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013958467	0	52	0.0	-63.40	381.61	6.06	-57.34
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COC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013958545	0	58	0.0	-93.19	445.42	10.31	-82.88
CCC(C)[NH2+]C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CO1	REAL300013958575	0	54	0.0	-70.67	417.54	6.86	-63.81
C[N@@H+]1CCCC(CCNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013958601	0	51	0.0	-78.14	377.54	6.85	-71.29
C[N@H+]1CCCC(CCNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013958601	1	51	0.0	-77.67	377.54	6.84	-70.83
C[NH+](C)CCN(CC1=CSC=C1)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958603	0	51	0.0	-70.27	402.96	9.98	-60.29
COCCC[N@H+](C)CCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958651	0	51	0.0	-76.21	394.26	5.20	-71.01
COCCC[N@@H+](C)CCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958651	1	51	0.0	-76.15	394.26	5.20	-70.95
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)C[NH+]1CCN(C)CC1	REAL300013958665	0	56	0.0	-74.93	416.44	5.62	-69.31
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)CN1CC[NH+](C)CC1	REAL300013958665	1	56	0.0	-71.57	419.85	6.16	-65.41
CCN1CC[NH+](CC(C)CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013958666	0	59	0.0	-70.60	434.49	6.38	-64.22
CC[NH+]1CCN(CC(C)CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013958666	1	59	0.0	-70.15	437.59	6.84	-63.31
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013958668	0	63	0.0	-75.20	480.46	11.31	-63.89
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013958668	1	63	0.0	-78.03	481.10	11.32	-66.71
CC(C)[NH+]1CCC(O)(CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013958679	0	55	0.0	-73.44	401.33	4.75	-68.69
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958692	0	61	0.0	-76.30	453.61	11.25	-65.05
CN(CCCN1CC[NH+](C)CC1)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958709	0	56	0.0	-74.20	418.99	7.33	-66.87
CN(CCC[NH+]1CCN(C)CC1)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958709	1	56	0.0	-72.76	418.60	7.21	-65.55
C[N@@H+]1CCC2C(CCCN2C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013958710	0	52	0.0	-71.03	368.23	8.59	-62.44
C[N@H+]1CCC2C(CCCN2C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013958710	1	52	0.0	-70.83	368.30	8.60	-62.23
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013958717	0	58	0.0	-71.04	440.94	10.12	-60.92
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013958717	1	58	0.0	-75.09	435.94	10.84	-64.25
C[NH+]1CCC(C)(CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013958730	0	51	0.0	-78.62	374.73	7.12	-71.50
O=C([O-])CC(CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C1CC1	REAL300013958731	0	62	0.0	-70.69	450.07	9.72	-60.97
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013958746	0	61	0.0	-61.91	455.66	11.81	-50.10
CC(C)(CNC(=O)NCC(CC(=O)[O-])C1CC1)C[NH+]1CCCC1	REAL300013958758	0	54	0.0	-73.86	390.40	7.93	-65.93
CC[N@H+](CCNC(=O)NCC(CC(=O)[O-])C1CC1)CCC(F)(F)F	REAL300013958775	0	50	0.0	-78.26	392.45	7.01	-71.25
CC[N@@H+](CCNC(=O)NCC(CC(=O)[O-])C1CC1)CCC(F)(F)F	REAL300013958775	1	50	0.0	-79.28	397.19	7.27	-72.01
CCCN(CC[NH+]1CCCC1)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958779	0	54	0.0	-69.37	408.25	10.05	-59.32
CC1CC([NH+]2CCCC2)CN1C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958785	0	52	0.0	-80.03	388.14	9.04	-70.99
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013958788	0	52	0.0	-71.07	405.07	9.99	-61.08
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013958788	1	52	0.0	-71.20	404.98	10.01	-61.19
O=C([O-])CC(CNC(=O)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1)C1CC1	REAL300013958789	0	59	0.0	-76.84	437.43	12.21	-64.63
O=C([O-])CC(CNC(=O)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1)C1CC1	REAL300013958789	1	59	0.0	-70.50	444.74	11.56	-58.94
CN(C(=O)NCC(CC(=O)[O-])C1CC1)C1CC2CCC(C1)[NH+]2C	REAL300013958794	0	52	0.0	-68.49	349.88	6.81	-61.68
CCCN(CC[NH+]1CCCCC1)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013958795	0	57	0.0	-67.83	419.45	10.59	-57.24
COCC[NH+](CCOC)C1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013958804	0	62	0.0	-63.83	444.86	7.70	-56.13
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C2	REAL300013958807	0	59	0.0	-81.70	424.09	8.38	-73.32
CCC[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013958831	0	51	0.0	-72.61	383.65	7.39	-65.22
C[N@@H+]1CC2CN(C(=O)NCC(CC(=O)[O-])C3CC3)CC2C1C1=CC=CC=C1	REAL300013958849	0	56	0.0	-83.64	417.66	10.75	-72.89
C[N@H+]1CC2CN(C(=O)NCC(CC(=O)[O-])C3CC3)CC2C1C1=CC=CC=C1	REAL300013958849	1	56	0.0	-70.86	421.24	11.10	-59.76
O=C([O-])CC(CNC(=O)NC1CCCCC1[NH+]1CCOCC1)C1CC1	REAL300013958867	1	56	0.0	-74.25	405.89	7.30	-66.95
CC1CCCC[N@@H+]1CCC1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013958870	0	64	0.0	-77.80	449.38	11.54	-66.26
CC1CCCC[N@H+]1CCC1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013958870	1	64	0.0	-77.06	456.15	11.85	-65.21
CC1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C(N2CCCC2)=[NH+]1	REAL300013958905	1	54	0.0	-68.18	409.92	8.23	-59.95
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC[N@H+](C)CC1	REAL300013958906	0	49	0.0	-69.28	372.52	7.30	-61.98
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC[N@@H+](C)CC1	REAL300013958906	1	49	0.0	-80.60	375.06	7.39	-73.21
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C1CCC[N@@H+](C2CCC2)C1	REAL300013958908	0	58	0.0	-74.64	415.35	8.66	-65.98
CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C1CCC[N@H+](C2CCC2)C1	REAL300013958908	1	58	0.0	-70.04	421.45	9.49	-60.55
O=C([O-])CC(CNC(=O)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1)C1CC1	REAL300013958910	0	59	0.0	-73.51	414.78	11.18	-62.33
O=C([O-])CC(CNC(=O)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1)C1CC1	REAL300013958910	1	59	0.0	-61.03	413.80	11.28	-49.75
O=C([O-])CC(CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1CC1	REAL300013958911	0	56	0.0	-69.54	425.35	7.00	-62.54
O=C([O-])CC(CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1CC1	REAL300013958911	1	56	0.0	-64.94	428.63	6.93	-58.01
CC[NH+](CC)CCCC1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013958925	0	63	0.0	-68.79	448.31	11.40	-57.39
O=C([O-])CC(CNC(=O)NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300013958938	1	56	0.0	-72.77	424.15	10.99	-61.78
O=C([O-])CC(CNC(=O)NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300013958938	1	56	0.0	-72.26	424.00	9.60	-62.66
O=C([O-])CC(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1CC1	REAL300013958940	0	59	0.0	-75.52	445.72	8.79	-66.73
O=C([O-])CC(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1CC1	REAL300013958940	1	59	0.0	-74.13	438.46	9.24	-64.89
CC1C[N@H+](CCCNC(=O)NCC(CC(=O)[O-])C2CC2)CCCO1	REAL300013958963	0	55	0.0	-70.09	407.65	6.96	-63.13
CC1C[N@@H+](CCCNC(=O)NCC(CC(=O)[O-])C2CC2)CCCO1	REAL300013958963	1	55	0.0	-75.72	410.01	6.46	-69.26
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CC1(C)CCC[N@H+](CCNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013959156	0	54	0.0	-69.99	389.93	8.29	-61.70
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C[N@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013959213	0	55	0.0	-70.99	418.77	10.69	-60.30
C[N@@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013959213	1	55	0.0	-70.36	418.70	10.66	-59.70
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CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C1C[N@@H+](C)CCO1	REAL300013959281	1	49	0.0	-71.40	366.55	6.26	-65.14
CC(CCNC(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCCCC1	REAL300013959289	0	54	0.0	-68.14	394.43	7.71	-60.43
CC(C1CC[NH+](C)CC1)N(C)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959297	0	54	0.0	-76.85	395.51	9.73	-67.12
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CCCN(CC[NH+]1CCCCCC1)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959369	0	60	0.0	-69.38	433.94	10.94	-58.44
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959375	0	54	0.0	-78.36	416.70	9.55	-68.81
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959375	1	54	0.0	-76.67	417.24	9.69	-66.98
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959394	0	53	0.0	-70.77	400.80	8.15	-62.62
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959394	1	53	0.0	-72.99	400.92	8.20	-64.79
CCC[N@H+](C)CC1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013959428	0	54	0.0	-76.30	403.16	9.25	-67.05
CCC[N@@H+](C)CC1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013959428	1	54	0.0	-76.25	403.06	9.28	-66.97
CC[NH+](CC)C1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013959429	0	51	0.0	-66.59	373.67	8.14	-58.45
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O=C([O-])CC(CNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013959437	1	55	0.0	-75.34	409.59	10.66	-64.68
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CC(C)[NH+]1CCC(N2CCN(C(=O)NCC(CC(=O)[O-])C3CC3)CC2)CC1	REAL300013959458	0	63	0.0	-70.91	438.72	9.18	-61.73
CC[N@@H+]1CCC(N(C)C(=O)NCC(CC(=O)[O-])C2CC2)C(C)C1	REAL300013959476	0	54	0.0	-67.13	383.36	9.57	-57.56
CC[N@H+]1CCC(N(C)C(=O)NCC(CC(=O)[O-])C2CC2)C(C)C1	REAL300013959476	1	54	0.0	-58.38	371.37	8.68	-49.70
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013959480	0	57	0.0	-74.50	421.22	8.86	-65.64
CC(C)C[N@H+]1CCCC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013959480	1	57	0.0	-67.32	418.89	8.81	-58.51
O=C([O-])CC(CNC(=O)N1CCC2C(CCC[N@@H+]2C2CC2)C1)C1CC1	REAL300013959488	0	56	0.0	-65.83	399.90	9.82	-56.01
O=C([O-])CC(CNC(=O)N1CCC2C(CCC[N@H+]2C2CC2)C1)C1CC1	REAL300013959488	1	56	0.0	-75.05	396.46	9.68	-65.37
CCC1CN(C(=O)NCC(CC(=O)[O-])C2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013959508	0	58	0.0	-71.02	422.95	12.06	-58.96
CCC1CN(C(=O)NCC(CC(=O)[O-])C2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013959508	1	58	0.0	-78.28	424.47	11.58	-66.70
C[NH+](C)CC1(CNC(=O)NCC(CC(=O)[O-])C2CC2)CCCC1	REAL300013959519	0	54	0.0	-76.33	392.42	7.97	-68.36
C[C@@H]1C[N@@H+](CCN(C)C(=O)NCC(CC(=O)[O-])C2CC2)C[C@H](C)O1	REAL300013959557	1	55	0.0	-69.99	408.00	8.11	-61.88
C[C@@H]1C[N@H+](CCN(C)C(=O)NCC(CC(=O)[O-])C2CC2)C[C@H](C)O1	REAL300013959557	1	55	0.0	-65.64	412.81	8.12	-57.52
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959558	1	55	0.0	-70.03	407.48	8.01	-62.02
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CCCC[N@@H+](C)CC(C)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959579	1	53	0.0	-75.35	400.81	8.14	-67.21
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CC1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013959608	0	58	0.0	-75.13	421.55	11.57	-63.56
CC1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC[N@H+]1CC1=CC=CC=C1	REAL300013959608	1	58	0.0	-62.67	421.17	11.41	-51.26
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959614	0	61	0.0	-70.59	459.44	12.63	-57.96
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959614	1	61	0.0	-70.40	460.02	12.63	-57.77
C[N@@H+]1C2CCC1CN(C(=O)NCC(CC(=O)[O-])C1CC1)CC2	REAL300013959630	0	49	0.0	-65.93	341.12	7.87	-58.06
C[N@H+]1C2CCC1CN(C(=O)NCC(CC(=O)[O-])C1CC1)CC2	REAL300013959630	1	49	0.0	-64.95	333.11	8.34	-56.61
CC1=[NH+]C=CN1CCCN(C)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959641	1	49	0.0	-70.55	387.59	9.45	-61.10
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013959657	0	57	0.0	-77.75	432.02	8.46	-69.29
CC1CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013959660	0	58	0.0	-72.76	436.14	10.68	-62.08
CC1CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013959660	1	58	0.0	-75.38	437.16	9.66	-65.72
CCCN(CC[NH+](CC)CC)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959684	0	56	0.0	-70.25	413.72	10.03	-60.22
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959696	0	55	0.0	-76.00	420.35	9.90	-66.10
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C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959721	0	54	0.0	-63.46	380.38	7.69	-55.77
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959721	1	54	0.0	-69.24	382.02	8.76	-60.48
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CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013959759	0	53	0.0	-72.67	387.57	8.45	-64.22
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CC[N@H+](C)CC1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013960492	0	51	0.0	-69.08	380.06	8.55	-60.53
CC[N@@H+](C)CC1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013960492	1	51	0.0	-75.60	381.56	8.51	-67.09
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CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013960495	1	58	0.0	-70.87	439.40	10.39	-60.48
C[NH+](C)C1CCCC(NC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013960497	0	51	0.0	-76.98	378.91	7.16	-69.82
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CC1=CC=C(C[N@@H+]2CCCN(C(=O)NCC(CC(=O)[O-])C3CC3)CC2)C=C1	REAL300013961075	0	58	0.0	-71.16	423.74	12.83	-58.33
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COC1=CC=C(C[N@H+]2CCCN(C(=O)NCC(CC(=O)[O-])C3CC3)CC2)C=C1	REAL300013961090	1	59	0.0	-75.39	440.03	10.88	-64.51
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CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300013961259	1	61	0.0	-71.10	452.12	11.35	-59.75
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013961260	0	61	0.0	-64.92	439.54	11.22	-53.70
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013961260	1	61	0.0	-62.94	450.99	11.61	-51.33
CC1CCC[N@H+](CC2=CC=C(CNC(=O)NCC(CC(=O)[O-])C3CC3)C=C2)C1	REAL300013961261	0	61	0.0	-73.63	456.34	11.46	-62.17
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)NCC(CC(=O)[O-])C3CC3)C=C2)C1	REAL300013961261	1	61	0.0	-73.57	456.29	11.46	-62.11
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013961262	0	61	0.0	-66.95	450.41	11.63	-55.32
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013961262	1	61	0.0	-64.19	455.22	11.71	-52.48
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CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013961263	1	57	0.0	-64.14	427.12	10.42	-53.72
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CC1CCN(C2=CC=C(CNC(=O)NCC(CC(=O)[O-])C3CC3)C=[NH+]2)CC1	REAL300013961270	1	57	0.0	-68.57	435.64	7.99	-60.58
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CCN(CC)C1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C=[NH+]1	REAL300013961309	1	53	0.0	-67.34	416.81	8.49	-58.85
C[NH+]1CCN(C2=CC(CNC(=O)NCC(CC(=O)[O-])C3CC3)=CC=N2)CC1	REAL300013961310	0	56	0.0	-75.92	433.26	6.92	-69.00
O=C([O-])CC(CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)C1CC1	REAL300013961311	1	57	0.0	-67.79	426.28	7.74	-60.05
CC1CN(C2=CC=C(CNC(=O)NCC(CC(=O)[O-])C3CC3)C=[NH+]2)CCO1	REAL300013961312	1	55	0.0	-69.96	426.82	5.49	-64.47
O=C([O-])CC(CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)C1CC1	REAL300013961313	1	54	0.0	-67.37	414.55	7.22	-60.15
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CC[NH+](CC)CC1=CC=CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013961341	0	57	0.0	-73.16	430.93	9.41	-63.75
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C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013961356	0	55	0.0	-85.90	440.61	11.52	-74.38
CC[NH+](CC)CCOC1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300013961390	0	61	0.0	-77.10	462.99	9.29	-67.81
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013961391	0	61	0.0	-65.45	466.25	9.61	-55.84
CC[NH+]1CCN(C2=CC=C(CNC(=O)NCC(CC(=O)[O-])C3CC3)C=N2)CC1	REAL300013961393	0	59	0.0	-78.28	450.45	7.54	-70.74
O=C([O-])CC(CNC(=O)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1CC1	REAL300013961403	0	55	0.0	-74.44	432.58	10.77	-63.67
C[NH+]1CCN(C(=O)CCNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013961404	1	52	0.0	-91.66	401.09	5.57	-86.09
CC[NH+](CC)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CSC=C1	REAL300013961407	0	54	0.0	-70.54	406.51	8.76	-61.78
CC(C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCC(C)CC1	REAL300013961408	0	60	0.0	-69.68	425.51	9.98	-59.70
CC[NH+](CC)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300013961410	0	60	0.0	-66.92	431.68	9.85	-57.07
O=C([O-])CC(CNC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)C1CC1	REAL300013961411	0	52	0.0	-70.94	399.73	8.78	-62.16
O=C([O-])CC(CNC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)C1CC1	REAL300013961411	1	52	0.0	-77.14	401.19	8.73	-68.41
CN(C)C1=CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)=CC=[NH+]1	REAL300013961413	0	47	0.0	-68.96	373.38	6.72	-62.24
CN(C)C1=CC=C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C=[NH+]1	REAL300013961414	1	47	0.0	-68.17	374.16	6.60	-61.57
CCC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013961415	0	58	0.0	-73.82	426.86	10.82	-63.00
CCC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013961415	1	58	0.0	-72.85	427.45	10.80	-62.05
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1CCCCC1	REAL300013961416	0	57	0.0	-71.90	405.45	9.16	-62.74
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CSC=C1	REAL300013961418	0	48	0.0	-73.18	383.43	7.37	-65.81
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@@H+]1CCCC(C)C1	REAL300013961419	0	54	0.0	-69.75	389.60	8.26	-61.49
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[N@H+]1CCCC(C)C1	REAL300013961419	1	54	0.0	-69.41	394.19	7.80	-61.61
CC1CC[NH+](CCNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013961420	0	51	0.0	-72.78	383.39	7.17	-65.61
C[N@H+](CCCNC(=O)NCC(CC(=O)[O-])C1CC1)C1CCCCC1	REAL300013961421	0	57	0.0	-75.40	418.91	8.55	-66.85
C[N@@H+](CCCNC(=O)NCC(CC(=O)[O-])C1CC1)C1CCCCC1	REAL300013961421	1	57	0.0	-75.68	418.91	8.55	-67.13
CC1CC(C)C[NH+](CCCNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013961423	0	57	0.0	-75.03	426.17	8.58	-66.45
O=C([O-])CC(CNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)C1CC1	REAL300013961424	0	55	0.0	-72.82	421.21	9.58	-63.24
O=C([O-])CC(CNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)C1CC1	REAL300013961424	1	55	0.0	-76.83	414.89	10.18	-66.65
CC(C[NH+]1CCCCC1)NC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013961427	0	51	0.0	-70.44	381.41	7.76	-62.68
O=C([O-])CC(CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)C1CC1	REAL300013961428	0	55	0.0	-75.48	418.94	10.85	-64.63
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300013961431	0	51	0.0	-73.42	392.92	8.42	-65.00
CC(C)[NH+](CCNC(=O)NCC(CC(=O)[O-])C1CC1)C(C)C	REAL300013961432	0	53	0.0	-68.52	382.47	6.79	-61.73
O=C([O-])CC(CNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300013961456	0	60	0.0	-80.14	453.29	8.30	-71.84
O=C([O-])CC(CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CC1	REAL300013961457	0	56	0.0	-71.11	407.00	8.36	-62.75
C[NH+](C)CC1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013961458	0	51	0.0	-69.99	374.10	8.90	-61.09
C[NH+](C)C1(CNC(=O)NCC(CC(=O)[O-])C2CC2)CCCCC1	REAL300013961511	0	54	0.0	-70.52	377.24	8.31	-62.21
CC1CC[NH+](CCCCNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013961512	0	57	0.0	-76.04	426.38	8.75	-67.29
CC1CCCC[N@@H+]1CCCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013961513	0	57	0.0	-73.46	422.69	8.65	-64.81
CC1CCCC[N@H+]1CCCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013961513	1	57	0.0	-70.51	408.59	8.92	-61.59
CC1CCC[N@H+](CCCCNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013961514	0	57	0.0	-75.50	426.84	8.76	-66.74
CC1CCC[N@@H+](CCCCNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013961514	1	57	0.0	-75.46	426.86	8.76	-66.70
CCN1CC[NH+](CCCCNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013961515	0	59	0.0	-76.42	440.60	6.38	-70.04
CC[NH+]1CCN(CCCCNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013961515	1	59	0.0	-74.59	440.09	6.35	-68.24
CC1CC(C)C[NH+](CCCCNC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013961517	0	60	0.0	-75.87	447.66	9.34	-66.53
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013961533	1	60	0.0	-74.38	446.40	8.13	-66.25
O=C([O-])CC(CNC(=O)NCC[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CC1	REAL300013961534	1	57	0.0	-80.27	438.22	7.57	-72.70
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013961536	1	58	0.0	-75.05	442.46	5.97	-69.08
C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC(CC(=O)[O-])C3CC3)CC2)CC1	REAL300013961537	1	59	0.0	-84.74	430.81	8.64	-76.10
C=CC[NH+](CC=C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C(C)C	REAL300013961551	0	58	0.0	-68.93	427.66	9.39	-59.54
COC1=CC=C(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)[NH+]2CCCC2)C=C1	REAL300013961552	0	59	0.0	-73.33	448.83	8.81	-64.52
O=C([O-])CC(CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CC1	REAL300013961553	0	61	0.0	-68.13	411.36	10.68	-57.45
COC1=CC=C(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300013961554	0	55	0.0	-76.42	422.42	7.73	-68.69
O=C([O-])CC(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)C1CC1	REAL300013961572	0	55	0.0	-71.07	413.91	8.47	-62.60
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CO1	REAL300013961573	1	48	0.0	-74.30	371.76	6.62	-67.68
O=C([O-])CC(CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1	REAL300013961577	0	59	0.0	-69.02	413.30	6.85	-62.17
COC1=CC=C(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1OC	REAL300013961585	0	59	0.0	-80.23	451.67	7.62	-72.61
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CS1	REAL300013961588	0	48	0.0	-70.65	386.11	7.53	-63.12
C[NH+](C)C1(CNC(=O)NCC(CC(=O)[O-])C2CC2)CCCC1	REAL300013961589	0	51	0.0	-69.94	371.32	7.22	-62.72
O=C([O-])CC(CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)C1CC1	REAL300013961624	0	52	0.0	-69.58	396.76	7.76	-61.82
CC(C)[NH+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013961625	0	51	0.0	-71.88	375.15	6.94	-64.94
CC(C)(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCCCC1	REAL300013961633	0	54	0.0	-68.72	387.34	7.67	-61.05
COC1=CC=CC=C1C(CNC(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCCC1	REAL300013961640	0	59	0.0	-70.68	442.08	9.58	-61.10
CC1CC[NH+](C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C2=CC=CS2)CC1	REAL300013961641	0	58	0.0	-67.83	448.30	9.97	-57.86
CC[NH+](CC)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300013961643	0	57	0.0	-75.44	426.85	9.93	-65.51
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300013961644	0	54	0.0	-69.65	405.93	9.79	-59.86
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CC(F)=C1	REAL300013961647	0	51	0.0	-75.20	399.96	8.50	-66.70
CCC1=CC=C(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)[NH+](C)C)C=C1	REAL300013961648	0	57	0.0	-74.93	432.75	10.75	-64.18
O=C([O-])CC(CNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300013961651	0	60	0.0	-77.28	456.51	7.74	-69.54
C[NH+]1CCN(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)C2=CC=CS2)CC1	REAL300013961652	1	57	0.0	-76.80	437.05	6.81	-69.99
CC[NH+](CC)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300013961653	0	57	0.0	-69.71	422.80	9.02	-60.69
O=C([O-])CC(CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)C1CC1	REAL300013961654	0	52	0.0	-69.81	402.48	8.18	-61.63
CC(C)C[NH+]1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013961677	0	51	0.0	-64.47	374.13	8.84	-55.63
O=C([O-])CC(CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013961681	0	52	0.0	-76.37	404.61	8.95	-67.42
O=C([O-])CC(CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013961681	1	52	0.0	-77.16	405.41	9.02	-68.14
O=C([O-])CC(CNC(=O)N1CC[NH+](CC2CCCO2)CC1)C1CC1	REAL300013961685	1	53	0.0	-69.29	385.15	8.46	-60.83
COC1=CC=CC(C(CNC(=O)NCC(CC(=O)[O-])C2CC2)[NH+]2CCCC2)=C1	REAL300013961691	0	59	0.0	-69.05	446.56	9.49	-59.56
O=C([O-])CC(CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+]1CCCC1)C1CC1	REAL300013961692	0	55	0.0	-71.89	427.99	10.64	-61.25
C[NH+](C)C(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CC=C1Cl	REAL300013961693	1	51	0.0	-70.63	400.87	9.06	-61.57
CC1=CC=CC(C[NH+]2CCN(C(=O)NCC(CC(=O)[O-])C3CC3)CC2)=C1	REAL300013961695	1	55	0.0	-66.81	415.20	10.94	-55.87
CC1=CC=CC=C1C[NH+]1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013961703	1	55	0.0	-72.87	403.87	11.67	-61.20
C[NH+](C)CC1=CC=CC(CNC(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300013961723	0	51	0.0	-75.68	401.74	8.34	-67.34
O=C([O-])CC(CNC(=O)NC1CC[N@@H+]2CCCC2C1)C1CC1	REAL300013961737	0	49	0.0	-68.73	359.83	7.80	-60.93
O=C([O-])CC(CNC(=O)NC1CC[N@H+]2CCCC2C1)C1CC1	REAL300013961737	1	49	0.0	-69.24	359.89	7.77	-61.47
O=C([O-])CC(CNC(=O)NCC1CC[N@@H+](C2CC2)C1)C1CC1	REAL300013961745	0	49	0.0	-69.02	370.80	7.86	-61.16
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CC1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013963930	0	52	0.0	-81.90	404.25	7.64	-74.26
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COC1CC2CN(C(=O)NCC(CC(=O)[O-])C3CC3)CC3=CC=C[NH+]=C3N2C1	REAL300013963961	1	56	0.0	-67.54	420.35	7.71	-59.83
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CC1([NH+]2CCOCC2)CCN(C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013964284	1	53	0.0	-69.83	386.07	6.78	-63.05
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CCC[NH+](CCC)CCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013964357	0	53	0.0	-72.43	395.79	7.38	-65.05
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CC[N@H+](C)CC1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013964380	0	54	0.0	-68.09	391.85	9.57	-58.52
CC[N@@H+](C)CC1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013964380	1	54	0.0	-69.00	391.83	9.57	-59.43
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C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCC(CC(=O)[O-])C1CC1)C2	REAL300013964418	0	52	0.0	-75.44	373.95	7.12	-68.32
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CC1=C[NH+]=CC=C1N1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013964668	0	51	0.0	-64.69	389.96	7.94	-56.75
CCCC1=[NH+]C=CN1CCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013964723	1	52	0.0	-70.27	408.59	8.31	-61.96
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CC1CN(C(=O)NCC(CC(=O)[O-])C2CC2)CC[N@@H+]1C1CC1	REAL300013964790	1	49	0.0	-68.86	353.17	9.26	-59.60
CC1CN(C(=O)NCC(CC(=O)[O-])C2CC2)CC[N@H+]1C1CC1	REAL300013964790	1	49	0.0	-69.70	367.17	8.60	-61.10
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C[NH+](C)CCCCCCNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013964837	0	53	0.0	-76.53	407.35	7.84	-68.69
C[N@@H+]1CC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC12CCC2	REAL300013964839	0	49	0.0	-65.50	360.60	7.26	-58.24
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CC1CN(C(=O)NCC(CC(=O)[O-])C2CC2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300013964935	0	61	0.0	-77.48	443.83	12.03	-65.45
CC1CN(C(=O)NCC(CC(=O)[O-])C2CC2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300013964935	1	61	0.0	-79.69	436.59	13.43	-66.26
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O=C([O-])CC(CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1)C1CC1	REAL300013964948	1	62	0.0	-65.68	454.46	12.56	-53.12
CC[N@@H+]1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC12CCOC2	REAL300013965029	1	53	0.0	-65.11	378.58	7.03	-58.08
CC[N@H+]1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC12CCOC2	REAL300013965029	1	53	0.0	-73.20	372.33	7.51	-65.69
O=C([O-])CC(CNC(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1)C1CC1	REAL300013965070	0	50	0.0	-66.78	378.15	5.35	-61.43
CN(C(=O)NCC(CC(=O)[O-])C1CC1)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013965084	0	58	0.0	-63.86	428.09	11.86	-52.00
CN(C(=O)NCC(CC(=O)[O-])C1CC1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300013965134	0	51	0.0	-74.72	388.37	6.97	-67.75
CC(C)(C)[N@@H+]1CCCC(NC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013965142	0	54	0.0	-62.91	385.74	7.95	-54.96
CC(C)(C)[N@H+]1CCCC(NC(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013965142	1	54	0.0	-70.85	387.77	7.97	-62.88
CN(C)C1=CC=C(CCNC(=O)NCC(CC(=O)[O-])C2CC2)C=[NH+]1	REAL300013965181	1	50	0.0	-67.74	394.68	7.38	-60.36
C[N@@H+]1CC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC12CCCC2	REAL300013965182	0	52	0.0	-67.93	374.16	8.08	-59.85
C[N@H+]1CC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC12CCCC2	REAL300013965182	1	52	0.0	-66.06	373.94	8.05	-58.01
C[N@@H+]1CC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC12CCOCC2	REAL300013965226	0	53	0.0	-67.50	379.70	5.88	-61.62
C[N@H+]1CC(NC(=O)NCC(CC(=O)[O-])C2CC2)CC12CCOCC2	REAL300013965226	1	53	0.0	-67.90	379.32	6.09	-61.81
O=C([O-])CC(CNC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1)C1CC1	REAL300013965245	1	56	0.0	-62.51	398.37	8.32	-54.19
CC1=CC=C(C[NH+]2CCN(C(=O)NCC(CC(=O)[O-])C3CC3)CC2)C=C1	REAL300013965249	1	55	0.0	-73.59	409.72	11.55	-62.04
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013965261	0	52	0.0	-69.01	379.04	5.24	-63.77
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC(CC(=O)[O-])C1CC1	REAL300013965261	1	52	0.0	-73.97	375.53	5.52	-68.45
CC(C)[N@H+](C)C1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013965275	0	54	0.0	-64.08	382.80	8.86	-55.22
CC(C)[N@@H+](C)C1CCN(C(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013965275	1	54	0.0	-64.36	382.34	8.87	-55.49
O=C([O-])CC(CNC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)C1CC1	REAL300013965280	0	58	0.0	-68.53	409.65	9.85	-58.68
O=C([O-])CC(CNC(=O)NCC1CCC[N@H+](C2CCCC2)C1)C1CC1	REAL300013965280	1	58	0.0	-65.29	415.98	9.22	-56.07
C[NH+](C)CCC1CN(C(=O)NCC(CC(=O)[O-])C2CC2)CCO1	REAL300013965292	0	52	0.0	-76.68	391.93	7.40	-69.28
CC(CNC(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=C(N(C)C)[NH+]=C1	REAL300013965319	1	53	0.0	-66.07	410.40	7.95	-58.12
CN(C)C1=CC=C(C(C)(C)CNC(=O)NCC(CC(=O)[O-])C2CC2)C=[NH+]1	REAL300013965323	1	56	0.0	-64.42	424.02	8.41	-56.01
O=C([O-])CC(CNC(=O)NCC1CCCC2=[NH+]C=CN21)C1CC1	REAL300013965341	1	47	0.0	-68.87	363.05	7.57	-61.30
CCCC1=[NH+]C=CN1C1CCCN(C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013965406	1	56	0.0	-55.81	424.05	10.84	-44.97
O=C([O-])CC(CNC(=O)NCC1CCCC2=[NH+]C=CN21)C1CC1	REAL300013965463	1	47	0.0	-68.87	363.05	7.57	-61.30
C[NH+](C)[C@H]1CCCCN(C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300013965472	0	51	0.0	-66.97	360.44	9.49	-57.48
CC1(C)CC(NC(=O)NCC(CC(=O)[O-])C2CC2)C[N@@H+]1CC1=CC=CC=C1	REAL300013965517	0	58	0.0	-64.23	435.27	9.67	-54.56
CC1(C)CC(NC(=O)NCC(CC(=O)[O-])C2CC2)C[N@H+]1CC1=CC=CC=C1	REAL300013965517	1	58	0.0	-64.07	430.59	9.74	-54.33
C[NH+](C)CC1=CC=C(CCNC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300013965544	0	54	0.0	-78.00	423.18	9.12	-68.88
O=C([O-])CC(CNC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013965550	0	58	0.0	-75.70	431.06	10.22	-65.48
O=C([O-])CC(CNC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300013965550	1	58	0.0	-76.45	430.48	10.07	-66.38
CCC[N@H+](CCNC(=O)NCC(CC(=O)[O-])C1CC1)C(C)C	REAL300013965584	0	53	0.0	-71.31	387.61	6.98	-64.33
CCC[N@@H+](CCNC(=O)NCC(CC(=O)[O-])C1CC1)C(C)C	REAL300013965584	1	53	0.0	-70.53	388.24	7.08	-63.45
C[N@@H+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)C(C)(C)C1	REAL300013965616	0	51	0.0	-72.92	374.25	7.38	-65.54
C[N@H+]1CCC(NC(=O)NCC(CC(=O)[O-])C2CC2)C(C)(C)C1	REAL300013965616	1	51	0.0	-74.59	374.80	7.46	-67.13
C[C@@H]1C[N@H+](C2CCN(C(=O)NCC(CC(=O)[O-])C3CC3)CC2)C[C@H](C)O1	REAL300013965633	0	59	0.0	-68.04	427.01	8.81	-59.23
C[C@@H]1C[N@@H+](C2CCN(C(=O)NCC(CC(=O)[O-])C3CC3)CC2)C[C@H](C)O1	REAL300013965633	1	59	0.0	-77.27	422.53	8.83	-68.44
O=C([O-])C[NH+]1CCC(NC(=O)NC2CS(=O)(=O)CC3=CC=CC=C32)CC1	REAL300013965696	1	49	0.0	-46.15	384.41	3.74	-42.41
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)S(C)(=O)=O	REAL300013965754	1	44	0.0	-44.14	349.07	1.84	-42.30
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC(Cl)=C2Cl)CC1	REAL300013965822	1	42	0.0	-37.37	362.72	7.14	-30.23
CC1=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC(C)=C1	REAL300013965885	1	48	0.0	-39.39	375.57	7.56	-31.83
CCSC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1	REAL300013965941	1	46	0.0	-35.14	370.00	6.71	-28.43
CC1(C)C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1(F)F	REAL300013965997	1	45	0.0	-38.00	353.80	6.00	-32.00
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2CC2(Cl)Cl)CC1	REAL300013966075	1	42	0.0	-42.09	357.40	6.57	-35.52
CC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1Br	REAL300013966146	1	42	0.0	-35.07	344.85	5.91	-29.16
CCC[N@@H+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013966203	0	45	0.0	-77.29	359.26	6.81	-70.48
CCC[N@H+]1CCC(NC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300013966203	1	45	0.0	-77.21	359.18	6.88	-70.33
CCC[N@@H+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013966204	0	45	0.0	-76.53	359.26	6.80	-69.73
CCC[N@H+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013966204	1	45	0.0	-76.57	359.81	6.85	-69.72
CCC[N@@H+]1CCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C1	REAL300013966205	0	55	0.0	-79.39	414.24	10.70	-68.69
CCC[N@H+]1CCC(NC(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C1	REAL300013966205	1	55	0.0	-73.58	407.72	10.31	-63.27
CCC[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013966206	0	49	0.0	-63.49	362.16	4.95	-58.54
CCC[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300013966206	1	49	0.0	-63.95	361.57	4.91	-59.04
CCC[N@@H+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013966207	0	54	0.0	-78.62	397.48	7.78	-70.84
CCC[N@H+]1CCC(NC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1	REAL300013966207	1	54	0.0	-77.18	397.38	7.73	-69.45
CCC[N@@H+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013966208	0	51	0.0	-65.52	390.37	8.02	-57.50
CCC[N@H+]1CCC(NC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300013966208	1	51	0.0	-61.75	385.95	8.30	-53.45
CCC[N@@H+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013966209	0	51	0.0	-76.01	376.95	8.64	-67.37
CCC[N@H+]1CCC(NC(=O)N2CCC(CCC(=O)[O-])CC2)C1	REAL300013966209	1	51	0.0	-76.51	375.74	8.69	-67.82
CCC[N@@H+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013966210	0	47	0.0	-73.08	354.31	5.39	-67.69
CCC[N@H+]1CCC(NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1	REAL300013966210	1	47	0.0	-74.65	353.91	5.40	-69.25
CCC[N@@H+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013966211	0	53	0.0	-67.48	393.61	7.40	-60.08
CCC[N@H+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013966211	1	53	0.0	-67.91	393.14	7.34	-60.57
CCC[N@@H+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013966212	0	45	0.0	-68.82	353.82	6.96	-61.86
CCC[N@H+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013966212	1	45	0.0	-67.86	353.84	6.95	-60.91
CCC[N@@H+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])C2)C1	REAL300013966213	0	49	0.0	-72.33	372.27	6.66	-65.67
CCC[N@H+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])C2)C1	REAL300013966213	1	49	0.0	-75.05	370.31	6.48	-68.57
CCC[N@@H+]1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013966214	0	50	0.0	-75.29	374.76	4.37	-70.92
CCC[N@H+]1CCC(NC(=O)NC2CCN(CC(=O)[O-])CC2)C1	REAL300013966214	1	50	0.0	-73.68	374.92	4.41	-69.27
CCC[N@@H+]1CCC(NC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)C1	REAL300013966215	0	55	0.0	-71.44	413.50	8.62	-62.82
CCC[N@H+]1CCC(NC(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)C1	REAL300013966215	1	55	0.0	-72.43	413.85	8.59	-63.84
CCC[N@@H+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013966216	0	45	0.0	-76.53	359.26	6.80	-69.73
CCC[N@H+]1CCC(NC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300013966216	1	45	0.0	-76.57	359.81	6.85	-69.72
CCC[N@@H+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)C1	REAL300013966217	0	55	0.0	-62.28	415.31	8.58	-53.70
CCC[N@H+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CC(C(=O)OC)C3)C2)C1	REAL300013966217	1	55	0.0	-69.63	419.27	8.63	-61.00
CCC[N@@H+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013966218	0	51	0.0	-78.29	370.78	8.61	-69.68
CCC[N@H+]1CCC(NC(=O)N2CCCCC2CCC(=O)[O-])C1	REAL300013966218	1	51	0.0	-80.16	369.73	8.62	-71.54
CCC[N@@H+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013966219	0	53	0.0	-76.84	407.49	7.82	-69.02
CCC[N@H+]1CCC(NC(=O)NCCCCCCCC(=O)[O-])C1	REAL300013966219	1	53	0.0	-76.85	407.42	7.90	-68.95
CCC[N@@H+]1CCC(NC(=O)N2CCCC(COC)(C(=O)[O-])C2)C1	REAL300013966220	0	52	0.0	-83.44	381.82	7.66	-75.78
CCC[N@H+]1CCC(NC(=O)N2CCCC(COC)(C(=O)[O-])C2)C1	REAL300013966220	1	52	0.0	-82.92	382.69	7.04	-75.88
CCC[N@@H+]1CCC(NC(=O)N(CCOC)CCC(=O)[O-])C1	REAL300013966221	0	48	0.0	-56.50	371.04	6.86	-49.64
CCC[N@H+]1CCC(NC(=O)N(CCOC)CCC(=O)[O-])C1	REAL300013966221	1	48	0.0	-56.96	370.74	6.50	-50.46
CCC[N@@H+]1CCC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C1	REAL300013966222	0	54	0.0	-80.38	408.65	8.71	-71.67
CCC[N@H+]1CCC(NC(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)C1	REAL300013966222	1	54	0.0	-80.87	408.64	8.72	-72.15
CCC[N@@H+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013966223	0	51	0.0	-78.27	376.81	8.69	-69.58
CCC[N@H+]1CCC(NC(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300013966223	1	51	0.0	-77.65	375.86	8.56	-69.09
CCC[N@@H+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013966224	0	49	0.0	-84.30	372.13	9.27	-75.03
CCC[N@H+]1CCC(NC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300013966224	1	49	0.0	-77.04	371.77	9.27	-67.77
CCC[N@@H+]1CCC(NC(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)C1	REAL300013966225	0	56	0.0	-80.94	416.02	7.47	-73.47
CCC[N@H+]1CCC(NC(=O)N2CCOC(CN(CC(=O)[O-])C(C)=O)C2)C1	REAL300013966225	1	56	0.0	-71.65	417.96	7.38	-64.27
CCC[N@@H+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013966226	0	46	0.0	-69.21	348.36	5.99	-63.22
CCC[N@H+]1CCC(NC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1	REAL300013966226	1	46	0.0	-68.96	348.09	5.89	-63.07
CCC[N@@H+]1CCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013966227	0	52	0.0	-66.18	399.71	9.82	-56.36
CCC[N@H+]1CCC(NC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C1	REAL300013966227	1	52	0.0	-66.14	399.59	9.83	-56.31
CCC[N@@H+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013966228	0	49	0.0	-73.43	378.77	7.98	-65.45
CCC[N@H+]1CCC(NC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300013966228	1	49	0.0	-74.27	382.84	8.09	-66.18
CCC[N@@H+]1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013966229	0	52	0.0	-83.65	387.57	7.02	-76.63
CCC[N@H+]1CCC(NC(=O)NC2CCCCN(CC(=O)[O-])C2=O)C1	REAL300013966229	1	52	0.0	-83.92	387.20	6.97	-76.95
CCC[N@@H+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])CC2)C1	REAL300013966230	0	52	0.0	-75.17	379.72	7.39	-67.78
CCC[N@H+]1CCC(NC(=O)N2CCC(COC)(C(=O)[O-])CC2)C1	REAL300013966230	1	52	0.0	-76.53	379.19	7.31	-69.22
CCC[N@@H+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013966231	0	54	0.0	-69.42	382.83	7.51	-61.91
CCC[N@H+]1CCC(NC(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300013966231	1	54	0.0	-70.54	382.65	7.54	-63.00
CCC[N@@H+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013966232	0	51	0.0	-76.87	381.62	7.29	-69.58
CCC[N@H+]1CCC(NC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300013966232	1	51	0.0	-75.55	379.78	7.14	-68.41
CCC[N@@H+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013966233	0	49	0.0	-76.93	371.24	7.27	-69.66
CCC[N@H+]1CCC(NC(=O)N2CCC(OCC(=O)[O-])CC2)C1	REAL300013966233	1	49	0.0	-76.80	370.09	7.35	-69.45
CCC[N@@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013966234	0	49	0.0	-61.88	364.07	5.15	-56.73
CCC[N@H+]1CCC(NC(=O)NCC2(C(=O)[O-])CCCOC2)C1	REAL300013966234	1	49	0.0	-61.84	363.82	5.10	-56.74
CCC[N@@H+]1CCC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C1	REAL300013966235	0	57	0.0	-76.78	433.90	9.19	-67.59
CCC[N@H+]1CCC(NC(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C1	REAL300013966235	1	57	0.0	-76.74	433.82	9.25	-67.49
CCC[N@@H+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013966236	0	49	0.0	-65.13	363.74	8.03	-57.10
CCC[N@H+]1CCC(NC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)C1	REAL300013966236	1	49	0.0	-65.15	363.18	7.92	-57.23
CCC[N@@H+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013966237	0	45	0.0	-68.19	355.98	7.11	-61.08
CCC[N@H+]1CCC(NC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300013966237	1	45	0.0	-66.73	355.01	6.93	-59.80
CCC[N@@H+]1CCC(NC(=O)N2CC(OC)CC(C(=O)[O-])C2)C1	REAL300013966238	0	49	0.0	-61.18	370.38	6.22	-54.96
CCC[N@H+]1CCC(NC(=O)N2CC(OC)CC(C(=O)[O-])C2)C1	REAL300013966238	1	49	0.0	-59.66	368.04	6.18	-53.48
CCC[N@@H+]1CCC(NC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C1	REAL300013966239	0	54	0.0	-86.33	414.47	5.78	-80.55
CCC[N@H+]1CCC(NC(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C1	REAL300013966239	1	54	0.0	-85.30	414.21	5.70	-79.60
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CCC(F)CC1	REAL300013966268	1	51	0.0	-42.12	377.08	7.47	-34.65
O=C([O-])C1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1	REAL300013966306	1	54	0.0	-76.42	391.59	8.07	-68.35
O=C([O-])C1=CC=C(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C=C1	REAL300013966307	1	54	0.0	-77.07	406.43	7.04	-70.03
O=C([O-])C1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1	REAL300013966308	1	52	0.0	-63.17	384.39	6.48	-56.69
O=C([O-])C1CCC(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1	REAL300013966309	1	57	0.0	-78.53	414.26	7.13	-71.40
O=C([O-])CCCCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013966310	1	53	0.0	-76.18	390.18	5.73	-70.45
O=C([O-])C1=CC(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)=CC=C1	REAL300013966311	1	54	0.0	-78.18	406.46	7.04	-71.14
O=C([O-])CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013966312	1	47	0.0	-73.98	353.86	4.65	-69.33
O=C([O-])CCCCCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013966313	1	56	0.0	-74.82	411.68	6.51	-68.31
CC(C)(CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)[O-]	REAL300013966314	1	53	0.0	-77.24	388.71	6.13	-71.11
CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966315	1	54	0.0	-77.34	395.30	7.66	-69.68
CC1CC(C(=O)[O-])CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966316	1	57	0.0	-60.74	406.75	8.78	-51.96
CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1	REAL300013966317	1	57	0.0	-76.75	400.76	8.12	-68.63
O=C([O-])CCCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013966318	1	50	0.0	-70.62	368.68	4.94	-65.68
CC1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1C(=O)[O-]	REAL300013966319	1	57	0.0	-79.07	406.32	8.44	-70.63
O=C([O-])C1(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCOCC1	REAL300013966320	1	58	0.0	-64.70	409.76	4.93	-59.77
CC(C)(CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)[O-]	REAL300013966321	1	56	0.0	-71.52	401.98	5.83	-65.69
CCC(CC)(CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)[O-]	REAL300013966322	1	59	0.0	-67.53	414.27	6.62	-60.91
CC(CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)[O-]	REAL300013966323	1	50	0.0	-75.45	373.21	5.44	-70.01
CC(C)C(CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)[O-]	REAL300013966324	1	56	0.0	-68.87	411.14	6.60	-62.27
CC(NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013966325	1	63	0.0	-80.02	444.73	7.64	-72.38
O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966326	1	54	0.0	-67.43	395.16	6.58	-60.85
O=C([O-])CCC1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1	REAL300013966327	1	60	0.0	-76.26	430.90	9.46	-66.80
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)N[C@@H]1C[C@@H]([NH+]3CCOCC3)C13CCC3)C2	REAL300013966328	1	56	0.0	-73.41	404.90	6.09	-67.32
O=C([O-])C1(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCCC1	REAL300013966329	1	57	0.0	-61.91	405.09	7.05	-54.86
CC1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCC1C(=O)[O-]	REAL300013966330	1	57	0.0	-71.50	406.23	8.43	-63.07
O=C([O-])C1(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCC1	REAL300013966331	1	54	0.0	-64.95	389.15	6.30	-58.65
O=C([O-])CC(CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1CC1	REAL300013966332	1	57	0.0	-68.06	412.34	6.94	-61.12
CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1	REAL300013966333	1	57	0.0	-76.75	400.76	8.12	-68.63
CC(C)C[C@H](CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)CC(=O)[O-]	REAL300013966334	1	62	0.0	-69.82	440.02	7.77	-62.05
O=C([O-])C1=CC=CC=C1CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013966335	1	54	0.0	-73.62	400.05	7.14	-66.48
COCC1(C(=O)[O-])CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966336	1	58	0.0	-75.44	429.02	6.72	-68.72
O=C([O-])[C@H]1C[C@@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966337	1	51	0.0	-71.86	374.17	5.51	-66.35
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1	REAL300013966338	1	59	0.0	-40.19	429.73	5.36	-34.83
O=C([O-])[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966339	1	54	0.0	-78.41	387.55	7.79	-70.62
O=C([O-])[C@H]1CCCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966340	1	54	0.0	-79.45	388.90	7.83	-71.62
O=C([O-])C1CC(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966341	1	51	0.0	-70.18	378.95	5.91	-64.27
O=C([O-])[C@H]1C[C@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966342	1	51	0.0	-74.56	381.52	6.14	-68.42
O=C([O-])C1=CC(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)=CC=C1	REAL300013966343	1	54	0.0	-78.18	406.46	7.04	-71.14
CCC(CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)[O-]	REAL300013966344	1	53	0.0	-61.59	382.67	5.71	-55.88
O=C([O-])CCC1CCCCN1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013966345	1	60	0.0	-81.68	424.75	9.40	-72.28
O=C([O-])CCCCCCCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013966346	1	62	0.0	-76.97	454.67	8.07	-68.90
O=C([O-])CCCCCCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013966347	1	59	0.0	-77.83	433.18	7.29	-70.54
CN(CCCC(=O)[O-])C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013966348	1	53	0.0	-74.06	391.50	7.72	-66.34
CC1(C(=O)[O-])CCCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966349	1	57	0.0	-80.52	407.01	8.75	-71.77
COCC1(C(=O)[O-])CCCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966350	1	61	0.0	-82.36	433.70	8.45	-73.91
COCCN(CCC(=O)[O-])C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013966351	1	57	0.0	-60.13	417.99	6.68	-53.45
O=C([O-])CCC1CCCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966352	1	60	0.0	-79.03	428.75	9.24	-69.79
O=C([O-])C1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC2=CC=CC=C21	REAL300013966353	1	58	0.0	-75.79	425.30	10.54	-65.25
O=C([O-])C(=O)N1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1	REAL300013966354	1	55	0.0	-71.64	395.37	6.10	-65.54
CC1CCC(C(=O)[O-])CN1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013966355	1	57	0.0	-61.08	404.63	8.54	-52.54
O=C([O-])C1(O)CCCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966356	1	55	0.0	-77.21	397.85	5.36	-71.85
O=C([O-])C1CC(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C2=CC=CC=C21	REAL300013966357	1	58	0.0	-71.99	424.39	8.09	-63.90
COCC1(C(=O)[O-])CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1	REAL300013966358	1	61	0.0	-80.08	428.17	6.84	-73.24
O=C([O-])C12CC(NC(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)(C1)C2	REAL300013966359	1	52	0.0	-79.10	391.72	6.32	-72.78
O=C([O-])CC1(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCCCC1	REAL300013966360	1	63	0.0	-68.88	434.76	8.14	-60.74
O=C([O-])[C@H]1CC[C@@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1	REAL300013966361	1	57	0.0	-69.15	408.39	7.50	-61.65
O=C([O-])[C@H]1CC[C@H](CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1	REAL300013966362	1	60	0.0	-76.79	428.81	7.45	-69.34
O=C([O-])CC1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1	REAL300013966363	1	57	0.0	-67.58	408.42	8.66	-58.92
O=C([O-])COC1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1	REAL300013966364	1	58	0.0	-76.45	422.56	7.87	-68.58
O=C([O-])[C@@H]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966365	1	57	0.0	-73.00	408.56	6.71	-66.29
O=C([O-])C1CCCC(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966366	1	57	0.0	-73.73	415.23	7.22	-66.51
O=C([O-])C1(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCCOC1	REAL300013966367	1	58	0.0	-65.04	411.01	5.28	-59.76
O=C([O-])C1(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCOC1	REAL300013966368	1	55	0.0	-67.59	398.54	4.43	-63.16
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)N[C@@H]1C[C@@H]([NH+]3CCOCC3)C13CCC3)C2	REAL300013966369	1	52	0.0	-72.20	390.37	6.62	-65.58
O=C([O-])C1(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1	REAL300013966370	1	51	0.0	-63.74	381.00	6.39	-57.35
O=C([O-])C1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC12CCC2	REAL300013966371	1	58	0.0	-66.55	420.21	8.84	-57.71
CC1(C(=O)[O-])CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CCO1	REAL300013966372	1	55	0.0	-62.74	396.15	7.03	-55.71
O=C([O-])C1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966373	1	48	0.0	-68.40	361.03	6.22	-62.18
COC1CC(C(=O)[O-])CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966374	1	58	0.0	-61.52	422.73	6.94	-54.58
O=C([O-])C1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1	REAL300013966375	1	51	0.0	-75.27	378.00	7.12	-68.15
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)N[C@@H]1C[C@@H]([NH+]3CCOCC3)C13CCC3)C2	REAL300013966376	1	52	0.0	-78.11	392.42	6.83	-71.28
CC(CCC(=O)[O-])NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300013966377	1	53	0.0	-66.97	393.50	6.34	-60.63
CC(=O)N1CC[C@@H](NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1	REAL300013966389	1	46	0.0	-44.29	355.01	3.99	-40.30
O=C([O-])C1CCN(C(=O)NC2CC[NH+](C3CCOC3)CC2)CC1	REAL300013966428	0	50	0.0	-75.72	363.73	6.45	-69.27
O=C([O-])C1=CC=C(CNC(=O)NC2CC[NH+](C3CCOC3)CC2)C=C1	REAL300013966429	0	50	0.0	-79.42	387.83	6.10	-73.32
O=C([O-])C1CN(C(=O)NC2CC[NH+](C3CCOC3)CC2)CCO1	REAL300013966430	0	48	0.0	-80.32	357.06	4.89	-75.43
O=C([O-])C1CCC(NC(=O)NC2CC[NH+](C3CCOC3)CC2)CC1	REAL300013966431	0	53	0.0	-71.14	384.80	6.15	-64.99
O=C([O-])CCCCNC(=O)NC1CC[NH+](C2CCOC2)CC1	REAL300013966432	0	49	0.0	-77.59	371.65	4.76	-72.83
O=C([O-])C1=CC(CNC(=O)NC2CC[NH+](C3CCOC3)CC2)=CC=C1	REAL300013966433	0	50	0.0	-79.32	387.91	6.09	-73.23
O=C([O-])CCCCCNC(=O)NC1CC[NH+](C2CCOC2)CC1	REAL300013966434	0	52	0.0	-76.73	393.15	5.54	-71.19
CC(C)(CNC(=O)NC1CC[NH+](C2CCOC2)CC1)C(=O)[O-]	REAL300013966435	0	49	0.0	-77.71	363.51	4.65	-73.06
CC1(C(=O)[O-])CCN(C(=O)NC2CC[NH+](C3CCOC3)CC2)C1	REAL300013966436	0	50	0.0	-76.73	370.93	6.04	-70.69
CC1CC(C(=O)[O-])CN(C(=O)NC2CC[NH+](C3CCOC3)CC2)C1	REAL300013966437	0	53	0.0	-63.24	380.97	7.31	-55.93
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CC(C)(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C(=O)[O-]	REAL300013967717	1	58	0.0	-80.12	434.72	9.63	-70.49
CC1(C(=O)[O-])CCN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CC23CCC3)C1	REAL300013967718	0	59	0.0	-82.86	439.82	11.11	-71.75
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CC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CC23CCC3)C1	REAL300013967719	1	62	0.0	-83.49	458.89	12.10	-71.39
CC1(C(=O)[O-])CCN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CC23CCC3)CC1	REAL300013967720	0	62	0.0	-81.26	449.52	11.92	-69.34
CC1(C(=O)[O-])CCN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CC23CCC3)CC1	REAL300013967720	1	62	0.0	-78.76	448.49	11.79	-66.97
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CC1CCN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CC23CCC3)CC1C(=O)[O-]	REAL300013967722	0	62	0.0	-66.65	456.01	12.16	-54.49
CC1CCN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CC23CCC3)CC1C(=O)[O-]	REAL300013967722	1	62	0.0	-84.62	447.68	11.87	-72.75
CC(C)(CCNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C(=O)[O-]	REAL300013967723	0	61	0.0	-76.30	454.19	9.97	-66.33
CC(C)(CCNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C(=O)[O-]	REAL300013967723	1	61	0.0	-75.29	454.65	9.85	-65.44
CC(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C(=O)[O-]	REAL300013967724	0	55	0.0	-79.68	419.35	9.08	-70.60
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CC(C)C[C@H](CNC(=O)NCC(C)C[NH+]1CCCC1)CC(=O)[O-]	REAL300013967992	0	56	0.0	-71.81	404.05	7.88	-63.93
CC(C)C[C@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)CC(=O)[O-]	REAL300013967995	0	54	0.0	-72.68	386.64	9.05	-63.63
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC1=CC=CC=C1F)CC(=O)[O-]	REAL300013967996	0	59	0.0	-76.36	439.64	11.53	-64.83
CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013968002	0	65	0.0	-80.08	462.62	11.65	-68.43
CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013968002	1	65	0.0	-80.84	462.77	11.63	-69.21
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300013968005	0	59	0.0	-76.41	447.23	11.59	-64.82
CC1=CC=C(CN(CC[NH+](C)C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)O1	REAL300013968006	0	59	0.0	-77.39	444.40	10.53	-66.86
CC(C)C[C@H](CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)CC(=O)[O-]	REAL300013968008	0	62	0.0	-78.90	436.49	10.62	-68.28
CC(C)C[C@H](CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)CC(=O)[O-]	REAL300013968008	1	62	0.0	-75.02	430.46	10.43	-64.59
CC[NH+](CC)C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1=CC=CO1	REAL300013968013	0	59	0.0	-64.69	427.90	8.19	-56.50
CC(C)C[C@H](CNC(=O)NCC[N@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013968016	0	56	0.0	-70.38	424.46	8.94	-61.44
CC(C)C[C@H](CNC(=O)NCC[N@@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013968016	1	56	0.0	-70.52	424.42	8.93	-61.59
CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1)CC(=O)[O-]	REAL300013968018	1	54	0.0	-73.77	412.78	8.24	-65.53
CC(C)C[C@H](CNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1)CC(=O)[O-]	REAL300013968018	1	54	0.0	-73.83	412.77	8.25	-65.58
CC(C)C[C@H](CNC(=O)NC(C)C[N@@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013968037	0	59	0.0	-70.81	423.53	8.88	-61.93
CC(C)C[C@H](CNC(=O)NC(C)C[N@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013968037	1	59	0.0	-71.51	423.13	8.82	-62.69
CC(C)C[C@H](CNC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1)CC(=O)[O-]	REAL300013968040	0	65	0.0	-61.15	448.37	9.52	-51.63
CC(C)C[C@H](CNC(=O)NC(C)C[NH+]1CC(C)CC(C)C1)CC(=O)[O-]	REAL300013968041	0	62	0.0	-65.16	449.78	9.64	-55.52
CC(C)C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013968042	0	62	0.0	-64.28	422.28	8.68	-55.60
CC(C)C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013968042	1	62	0.0	-63.06	428.99	8.77	-54.29
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013968044	0	60	0.0	-71.07	441.88	10.02	-61.05
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013968044	1	60	0.0	-68.27	440.55	9.83	-58.44
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)CC(=O)[O-]	REAL300013968071	0	63	0.0	-75.50	464.97	7.42	-68.08
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CC(C)C[C@H](CNC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1)CC(=O)[O-]	REAL300013968080	0	67	0.0	-75.68	462.24	7.26	-68.42
CC(C)C[C@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)CC(=O)[O-]	REAL300013968097	0	66	0.0	-73.98	457.64	12.57	-61.41
CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)CC(=O)[O-]	REAL300013968097	1	66	0.0	-80.64	458.04	12.57	-68.07
CC(C)C[C@H](CNC(=O)N1CC[NH+](C(C)(C)C)CC1)CC(=O)[O-]	REAL300013968102	0	56	0.0	-67.09	386.83	8.48	-58.61
CC(C)C[C@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)CC(=O)[O-]	REAL300013968107	0	62	0.0	-72.75	433.82	10.15	-62.60
CC(C)C[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)CC(=O)[O-]	REAL300013968112	0	59	0.0	-78.34	423.67	10.01	-68.33
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CC(C)C[C@H](CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013968131	0	63	0.0	-70.98	467.30	10.86	-60.12
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)CC(=O)[O-]	REAL300013968133	0	66	0.0	-71.55	462.99	10.37	-61.18
CC(C)C[C@H](CNC(=O)NCC1=CC=CC=C1OCC[NH+](C)C)CC(=O)[O-]	REAL300013968145	0	60	0.0	-59.71	451.50	8.55	-51.16
CC(C)C[C@H](CNC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1)CC(=O)[O-]	REAL300013968146	0	60	0.0	-71.83	452.25	9.79	-62.04
CC(C)C[C@H](CNC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1)CC(=O)[O-]	REAL300013968146	1	60	0.0	-72.20	452.33	9.80	-62.40
CC(C)C[C@H](CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1)CC(=O)[O-]	REAL300013968147	0	60	0.0	-76.36	452.28	9.73	-66.63
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)CC(=O)[O-]	REAL300013968153	1	60	0.0	-71.42	437.67	6.72	-64.70
CC(C)C[C@H](CNC(=O)N1CC[N@@H+]2CCCC2C1)CC(=O)[O-]	REAL300013968160	0	51	0.0	-68.82	363.22	8.18	-60.64
CC(C)C[C@H](CNC(=O)N1CC[N@H+]2CCCC2C1)CC(=O)[O-]	REAL300013968160	1	51	0.0	-73.52	368.88	8.38	-65.14
CCOCC[NH+]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013968161	1	57	0.0	-75.91	417.43	8.09	-67.82
CC(C)C[C@H](CNC(=O)NCC(C)[N@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013968171	0	59	0.0	-69.31	428.59	9.31	-60.00
CC(C)C[C@H](CNC(=O)NCC(C)[N@@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013968171	1	59	0.0	-69.52	429.57	9.37	-60.15
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013968174	0	65	0.0	-66.04	447.53	9.39	-56.65
CCC1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013968174	1	65	0.0	-63.93	440.40	9.39	-54.54
CC[N@@H+]1CCCCC1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968176	0	56	0.0	-66.91	390.85	7.39	-59.52
CC[N@H+]1CCCCC1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968176	1	56	0.0	-66.30	391.47	7.24	-59.06
CC(C)C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)CC(=O)[O-]	REAL300013968186	0	62	0.0	-68.88	453.44	9.55	-59.33
CC(C)C[C@H](CNC(=O)NCC(C1=CC=C(F)C=C1)[NH+](C)C)CC(=O)[O-]	REAL300013968195	0	56	0.0	-77.21	420.63	8.85	-68.36
CC(C)C[C@H](CNC(=O)NCC(C)[NH+]1CCCCC1)CC(=O)[O-]	REAL300013968208	0	56	0.0	-67.32	394.29	7.63	-59.69
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)CC(=O)[O-]	REAL300013968213	0	59	0.0	-66.40	412.31	7.79	-58.61
CC(C)C[C@H](CNC(=O)NCC(C)C[NH+]1CCCCC1)CC(=O)[O-]	REAL300013968214	0	59	0.0	-71.22	420.91	8.66	-62.56
CC(C)C[C@H](CNC(=O)NCC1=CC=CN=C1N1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013968231	0	61	0.0	-57.80	456.79	7.48	-50.32
CC1=CC=C(C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+]2CCCC2)C=C1	REAL300013968233	0	63	0.0	-68.44	462.39	10.67	-57.77
CC(C)C[C@H](CNC(=O)NCC(C)[NH+]1CCC(C)CC1)CC(=O)[O-]	REAL300013968234	0	59	0.0	-66.86	415.09	8.24	-58.62
CC(C)C[C@H](CNC(=O)NCC1C[N@H+](C)CCN1C)CC(=O)[O-]	REAL300013968256	0	55	0.0	-75.34	389.05	4.39	-70.95
CC(C)C[C@H](CNC(=O)NCC1C[N@@H+](C)CCN1C)CC(=O)[O-]	REAL300013968256	1	55	0.0	-70.59	390.13	4.53	-66.06
CC(C)C[C@H](CNC(=O)N1CCCC([NH2+]C(C)C)C1)CC(=O)[O-]	REAL300013968259	0	56	0.0	-74.44	401.77	7.72	-66.72
CC(C)C[C@H](CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C[C@H]1C)CC(=O)[O-]	REAL300013968263	1	60	0.0	-69.00	438.02	11.61	-57.39
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C[C@H]1C)CC(=O)[O-]	REAL300013968263	1	60	0.0	-68.12	436.62	11.49	-56.63
CC(C)C[C@H](CNC(=O)NCC1([NH+](C)C)CCCC(C)C1)CC(=O)[O-]	REAL300013968284	0	62	0.0	-67.14	421.87	8.46	-58.68
CC(C)C[C@H](CNC(=O)N1CC[NH+](CCC2=CC=CS2)CC1)CC(=O)[O-]	REAL300013968305	1	57	0.0	-75.42	429.18	10.64	-64.78
CCCC[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013968314	0	59	0.0	-69.16	431.00	8.72	-60.44
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)CC(=O)[O-]	REAL300013968318	0	65	0.0	-69.16	459.14	6.81	-62.35
CC(C)C[C@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)CC(=O)[O-]	REAL300013968350	0	64	0.0	-66.50	442.94	9.46	-57.04
CCCC[N@H+](C)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968360	0	55	0.0	-68.18	408.48	7.54	-60.64
CCCC[N@@H+](C)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968360	1	55	0.0	-68.13	408.49	7.55	-60.58
CC(C)C[C@H](CNC(=O)NCC[NH+]1CCSCC1)CC(=O)[O-]	REAL300013968361	1	51	0.0	-73.02	383.04	6.73	-66.29
CC(C)C[C@H](CNC(=O)N(C)CC[NH+]1CCCC1)CC(=O)[O-]	REAL300013968374	0	53	0.0	-63.31	391.02	8.89	-54.42
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1)CC(=O)[O-]	REAL300013968434	0	62	0.0	-79.80	459.42	9.10	-70.70
CC[NH+]1CCC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013968443	0	56	0.0	-68.56	408.43	7.96	-60.60
CC(C)C[C@H](CNC(=O)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1)CC(=O)[O-]	REAL300013968453	0	61	0.0	-70.89	445.53	12.01	-58.88
CC(C)C[C@H](CNC(=O)NCC(C)(C)[NH2+]C(C)C1=CC=CC=C1)CC(=O)[O-]	REAL300013968464	0	62	0.0	-65.52	453.10	9.00	-56.52
CCC1CCCC[N@@H+]1CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968467	0	59	0.0	-64.81	417.20	7.95	-56.86
CCC1CCCC[N@H+]1CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968467	1	59	0.0	-66.49	418.95	8.14	-58.35
CC(C)C[C@H](CNC(=O)N1CC[NH+](C2CCC2)CC1)CC(=O)[O-]	REAL300013968470	0	54	0.0	-69.13	386.04	9.08	-60.05
CC(C)C[C@H](CNC(=O)N(C)C1CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013968473	0	63	0.0	-70.89	460.38	12.20	-58.69
CC[N@H+](CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CC1	REAL300013968488	0	53	0.0	-64.68	392.80	7.14	-57.54
CC[N@@H+](CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CC1	REAL300013968488	1	53	0.0	-66.53	390.74	7.18	-59.35
CC[N@H+](CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C	REAL300013968502	0	55	0.0	-64.20	396.21	6.97	-57.23
CC[N@@H+](CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C	REAL300013968502	1	55	0.0	-65.22	391.32	6.84	-58.38
CC1=CC=C(C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+]2CCCC2)O1	REAL300013968514	0	60	0.0	-62.77	444.20	9.00	-53.77
COCCC[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013968531	0	60	0.0	-71.77	443.17	7.01	-64.76
COCC[N@H+](C)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968533	0	53	0.0	-67.19	397.93	5.19	-62.00
COCC[N@@H+](C)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968533	1	53	0.0	-67.30	398.09	5.21	-62.09
CCC[NH+]1CCC(N(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013968537	0	59	0.0	-68.85	422.53	10.01	-58.84
CCC(C)[N@H+](C)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968539	0	55	0.0	-65.52	397.30	7.15	-58.37
CCC(C)[N@@H+](C)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968539	1	55	0.0	-67.29	391.97	6.91	-60.38
CC(C)C[C@H](CNC(=O)N1CCC([NH+]2CCCC2)C1)CC(=O)[O-]	REAL300013968540	0	54	0.0	-71.31	391.39	8.67	-62.64
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968554	0	62	0.0	-78.97	461.58	12.08	-66.89
CC(C)C[C@H](CNC(=O)N1CCCC1C[NH+]1CCCC1)CC(=O)[O-]	REAL300013968567	0	57	0.0	-60.59	407.15	9.44	-51.15
CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)CC(=O)[O-]	REAL300013968584	0	56	0.0	-67.89	394.58	9.72	-58.17
CC(C)C[C@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)CC(=O)[O-]	REAL300013968584	1	56	0.0	-64.29	391.63	9.53	-54.76
CCC[NH+](CCC)CCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968591	0	61	0.0	-68.57	447.28	8.99	-59.58
CC(C)C[C@H](CNC(=O)N1CCCC(C[NH+]2CCC(C)CC2)C1)CC(=O)[O-]	REAL300013968624	0	66	0.0	-70.29	464.32	11.85	-58.44
CC(C)C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013968638	0	63	0.0	-68.04	447.00	10.20	-57.84
CC(C)C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013968638	1	63	0.0	-65.97	446.70	10.29	-55.68
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968655	0	65	0.0	-61.45	481.23	13.09	-48.36
CC(C)C[C@H](CNC(=O)N(CCCC1=CC=CC=C1)CC[NH+](C)C)CC(=O)[O-]	REAL300013968659	0	65	0.0	-74.29	484.70	13.08	-61.21
CC(C)C[C@H](CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)CC(=O)[O-]	REAL300013968666	0	61	0.0	-69.09	441.68	8.91	-60.18
CC(C)C[C@H](CNC(=O)NCC1=CC=C(OCCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013968668	0	63	0.0	-80.27	475.11	9.22	-71.05
CC(C)C[C@H](CNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013968670	0	63	0.0	-73.17	475.31	10.95	-62.22
CC(C)C[C@H](CNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013968670	1	63	0.0	-76.22	469.20	10.73	-65.49
CC(C)C[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013968677	0	56	0.0	-72.26	405.62	7.62	-64.64
CC(C)C[C@H](CNC(=O)NCC(C)[N@@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013968695	0	60	0.0	-67.13	437.57	9.92	-57.21
CC(C)C[C@H](CNC(=O)NCC(C)[N@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013968695	1	60	0.0	-68.90	432.34	9.74	-59.16
CC(C)C[C@H](CNC(=O)NCC(C)[N@@H+]1CCC2=C(C=CS2)C1)CC(=O)[O-]	REAL300013968696	1	57	0.0	-68.19	429.81	9.35	-58.84
CC(C)C[C@H](CNC(=O)NCC(C)[N@H+]1CCC2=C(C=CS2)C1)CC(=O)[O-]	REAL300013968696	1	57	0.0	-69.73	424.59	9.28	-60.45
CC(C)C[C@H](CNC(=O)N1CC[NH+](CC2CCCCC2)CC1)CC(=O)[O-]	REAL300013968714	0	63	0.0	-69.00	438.04	11.12	-57.88
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC1=CC=CC(Cl)=C1)CC(=O)[O-]	REAL300013968716	0	59	0.0	-71.50	457.52	12.09	-59.41
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC1=CC=CC(F)=C1)CC(=O)[O-]	REAL300013968717	0	59	0.0	-70.01	447.29	11.68	-58.33
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC1=CC=C(F)C(F)=C1)CC(=O)[O-]	REAL300013968718	0	59	0.0	-72.42	453.57	11.73	-60.69
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC1=CC=C(F)C=C1F)CC(=O)[O-]	REAL300013968719	0	59	0.0	-74.02	452.33	11.84	-62.18
CC(C)C[C@H](CNC(=O)NCC1=CC=CC=C1N1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013968728	0	62	0.0	-61.94	459.06	8.54	-53.40
CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013968732	0	63	0.0	-81.91	453.37	9.15	-72.76
CC(C)C[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013968734	0	56	0.0	-67.34	404.39	9.46	-57.88
CC(C)C[C@H](CNC(=O)NCCC1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013968752	0	63	0.0	-76.32	474.04	9.34	-66.98
CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)CC(=O)[O-]	REAL300013968782	0	59	0.0	-61.39	407.11	9.92	-51.47
CC(C)C[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)CC(=O)[O-]	REAL300013968782	1	59	0.0	-62.32	407.74	9.91	-52.41
CC[N@H+](C)CC1=CC=CC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300013968793	0	59	0.0	-71.98	440.41	9.44	-62.54
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300013968793	1	59	0.0	-71.78	440.42	9.40	-62.38
CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](C2CC2)CC1)CC(=O)[O-]	REAL300013968796	0	54	0.0	-61.97	382.84	9.78	-52.19
CC(C)C[C@H](CNC(=O)N1CCC[N@H+](C2CC2)CC1)CC(=O)[O-]	REAL300013968796	1	54	0.0	-64.48	383.87	9.78	-54.70
COC1=CC=[NH+]C(N2CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)=C1	REAL300013968798	0	57	0.0	-68.66	423.37	7.43	-61.23
CC(C)C[C@H](CNC(=O)NCC1C[N@@H+]2CCCC2CO1)CC(=O)[O-]	REAL300013968803	0	55	0.0	-71.88	401.26	5.86	-66.02
CC(C)C[C@H](CNC(=O)NCC1C[N@H+]2CCCC2CO1)CC(=O)[O-]	REAL300013968803	1	55	0.0	-67.39	395.81	5.83	-61.56
CC(C)C[C@H](CNC(=O)N1CCCC([NH+](C)C)C1)CC(=O)[O-]	REAL300013968804	0	53	0.0	-68.24	374.51	8.27	-59.97
CC(C)C[C@H](CNC(=O)NCC(C)[N@H+](C)C1CC1)CC(=O)[O-]	REAL300013968805	0	53	0.0	-66.48	386.83	7.07	-59.41
CC(C)C[C@H](CNC(=O)NCC(C)[N@@H+](C)C1CC1)CC(=O)[O-]	REAL300013968805	1	53	0.0	-67.49	388.33	7.30	-60.19
CC(C)C[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)CC(=O)[O-]	REAL300013968807	1	51	0.0	-66.73	364.94	8.31	-58.42
CC(C)C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)CC(=O)[O-]	REAL300013968808	0	64	0.0	-68.69	452.38	8.05	-60.64
CC(C)C[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)CC(=O)[O-]	REAL300013968808	1	64	0.0	-69.03	457.30	8.16	-60.87
CC(C)C[C@H](CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013968808	1	64	0.0	-75.07	449.88	7.93	-67.14
CC(C)C[C@H](CNC(=O)N1CCCC1C[NH+]1CCCCC1)CC(=O)[O-]	REAL300013968810	0	60	0.0	-62.28	418.09	9.98	-52.30
CC(C)C[C@H](CNC(=O)N1CCCC1C[NH+]1CC(C)OC(C)C1)CC(=O)[O-]	REAL300013968812	1	64	0.0	-63.54	454.68	9.35	-54.19
CC(C)C[C@H](CNC(=O)NCC1CCC[N@@H+](C(C)C)C1)CC(=O)[O-]	REAL300013968814	0	59	0.0	-70.27	419.72	8.28	-61.99
CC(C)C[C@H](CNC(=O)NCC1CCC[N@H+](C(C)C)C1)CC(=O)[O-]	REAL300013968814	1	59	0.0	-68.54	419.26	8.21	-60.33
CC(C)C[C@H](CNC(=O)N1CC[N@@H+]2CCCCC2C1)CC(=O)[O-]	REAL300013968815	0	54	0.0	-69.20	381.04	8.80	-60.40
CC(C)C[C@H](CNC(=O)N1CC[N@H+]2CCCCC2C1)CC(=O)[O-]	REAL300013968815	1	54	0.0	-68.24	381.26	8.80	-59.44
CC(C)C[C@H](CNC(=O)N1CCN(CC[NH+]2C(C)CCC2C)CC1)CC(=O)[O-]	REAL300013968816	0	68	0.0	-74.98	473.31	8.85	-66.13
CC(C)C[C@H](CNC(=O)N(C)CC1=CC=C(C[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013968818	0	59	0.0	-69.18	444.08	11.36	-57.82
CC[NH+](CC)CCN(CCOC)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968822	0	62	0.0	-61.48	453.59	9.25	-52.23
COCCN(CC[NH+](C)C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968824	0	56	0.0	-58.97	417.66	7.88	-51.09
CC(C)C[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)CC(=O)[O-]	REAL300013968831	0	56	0.0	-66.51	407.82	7.93	-58.58
CC(C)C[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)CC(=O)[O-]	REAL300013968831	1	56	0.0	-68.64	402.45	7.69	-60.95
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+]2CCCCC12)CC(=O)[O-]	REAL300013968841	0	54	0.0	-69.23	385.01	7.80	-61.43
CC(C)C[C@H](CNC(=O)NC1CC[N@H+]2CCCCC12)CC(=O)[O-]	REAL300013968841	1	54	0.0	-67.48	385.02	7.89	-59.59
CC(C)C[C@H](CNC(=O)N1CCCC([NH+]2CCCC2)C1)CC(=O)[O-]	REAL300013968855	0	57	0.0	-64.41	406.93	9.59	-54.82
CC1=[NH+]C=CN1CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013968876	1	48	0.0	-66.80	369.45	6.74	-60.06
CC(C)C[C@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)CC(=O)[O-]	REAL300013968902	0	61	0.0	-64.18	418.89	6.69	-57.49
CC(C)C[C@H](CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C)(C)C1)CC(=O)[O-]	REAL300013968908	0	63	0.0	-73.17	450.33	11.89	-61.28
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)CC(=O)[O-]	REAL300013968908	1	63	0.0	-72.14	450.30	11.87	-60.27
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013968917	0	57	0.0	-70.77	416.85	8.25	-62.52
C=CC[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013968922	0	54	0.0	-69.03	396.39	7.60	-61.43
CC[NH+]1CCN(C2CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C2)CC1	REAL300013968987	0	62	0.0	-70.01	446.02	7.75	-62.26
CC(C)C[C@H](CNC(=O)NC(C)CN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013968991	0	58	0.0	-74.62	421.34	5.66	-68.96
CC(C)C[C@H](CNC(=O)NC(C)C[NH+]1CCN(C)CC1)CC(=O)[O-]	REAL300013968991	1	58	0.0	-65.84	419.27	5.75	-60.09
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC1=CC=CC=N1)CC(=O)[O-]	REAL300013968999	0	58	0.0	-79.85	441.41	9.86	-69.99
CC(C)C[C@H](CNC(=O)NCC[NH+]1C(C)CCCC1C)CC(=O)[O-]	REAL300013969013	0	59	0.0	-62.76	415.77	7.93	-54.83
CC(C)C[C@H](CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1)CC(=O)[O-]	REAL300013969025	1	61	0.0	-74.35	455.58	8.24	-66.11
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1)CC(=O)[O-]	REAL300013969029	0	59	0.0	-77.50	442.05	8.36	-69.14
CC[NH+](CC)C1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013969036	0	59	0.0	-67.72	405.22	9.35	-58.37
CC1=CC=C(C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+](C)C)C=C1	REAL300013969078	0	59	0.0	-68.07	435.32	9.46	-58.61
COCC[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013969092	0	57	0.0	-67.26	420.99	6.41	-60.85
CC(C)C[C@H](CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300013969100	0	63	0.0	-66.22	445.94	10.17	-56.05
CC(C)C[C@H](CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300013969100	1	63	0.0	-68.38	454.86	10.88	-57.50
CC(C)C[C@H](CNC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013969101	0	63	0.0	-73.06	461.90	10.63	-62.43
CC(C)C[C@H](CNC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013969101	1	63	0.0	-71.59	454.53	10.60	-60.99
CC(C)C[C@H](CNC(=O)N1CCCC([NH+]2CCCCC2)C1)CC(=O)[O-]	REAL300013969103	0	60	0.0	-63.72	416.10	10.17	-53.55
COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013969104	0	63	0.0	-67.41	440.60	7.10	-60.31
COC1CC[NH+](C2(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCCC2)CC1	REAL300013969105	0	67	0.0	-66.01	466.06	8.37	-57.64
CC(C)C[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)C1)CC(=O)[O-]	REAL300013969108	0	57	0.0	-71.13	406.20	9.30	-61.83
COCC[NH+]1CCC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013969112	0	60	0.0	-74.60	435.68	6.92	-67.68
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](CC2CC2)C1)CC(=O)[O-]	REAL300013969121	0	54	0.0	-70.73	399.40	8.00	-62.73
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](CC2CC2)C1)CC(=O)[O-]	REAL300013969121	1	54	0.0	-70.95	397.81	7.86	-63.09
CCCC[N@@H+]1CCCCC1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013969127	0	62	0.0	-66.85	440.75	9.00	-57.85
CCCC[N@H+]1CCCCC1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013969127	1	62	0.0	-65.35	439.02	9.46	-55.89
CC(C)C[C@H](CNC(=O)NCC1([N@H+](C)CC2=CC=CC=C2)CCC1)CC(=O)[O-]	REAL300013969160	0	63	0.0	-65.39	451.60	10.61	-54.78
CC(C)C[C@H](CNC(=O)NCC1([N@@H+](C)CC2=CC=CC=C2)CCC1)CC(=O)[O-]	REAL300013969160	1	63	0.0	-66.00	453.07	10.14	-55.86
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC2CCOC2)CC1)CC(=O)[O-]	REAL300013969184	0	61	0.0	-76.01	438.01	7.15	-68.86
CC(C)C[C@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)CC(=O)[O-]	REAL300013969191	0	61	0.0	-75.65	429.22	8.71	-66.94
CC(C)C[C@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)CC(=O)[O-]	REAL300013969197	0	61	0.0	-74.00	443.47	6.00	-68.00
CC(C)C[C@H](CNC(=O)NCCCCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013969197	1	61	0.0	-74.00	443.86	6.11	-67.89
CC(C)C[C@H](CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013969206	1	60	0.0	-68.95	437.97	11.61	-57.34
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013969206	1	60	0.0	-75.10	436.50	11.40	-63.70
CC[NH+](CC)CC(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013969218	0	55	0.0	-63.04	397.74	7.64	-55.40
CC(C)C[C@H](CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)CC(=O)[O-]	REAL300013969226	0	67	0.0	-69.11	457.19	8.35	-60.76
CC[N@@H+]1CCC2CCC(C1)N2C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013969240	0	57	0.0	-67.84	392.35	9.78	-58.06
CC[N@H+]1CCC2CCC(C1)N2C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013969240	1	57	0.0	-60.11	398.35	9.97	-50.14
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013969253	0	61	0.0	-69.51	458.10	10.98	-58.53
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC1=CC=CS1)CC(=O)[O-]	REAL300013969255	0	56	0.0	-76.60	436.35	10.82	-65.78
CC(C)C[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)CC(=O)[O-]	REAL300013969289	0	57	0.0	-47.05	386.82	8.64	-38.41
CC(C)C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)CC1C)CC(=O)[O-]	REAL300013969303	0	60	0.0	-67.49	424.13	7.14	-60.35
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)CC1C)CC(=O)[O-]	REAL300013969303	1	60	0.0	-72.95	424.17	7.11	-65.84
CC(C)C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)CC(=O)[O-]	REAL300013969329	0	61	0.0	-67.82	434.57	8.80	-59.02
CC(C)C[C@H](CNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)CC(=O)[O-]	REAL300013969351	0	51	0.0	-72.54	366.64	7.84	-64.70
CC(C)C[C@H](CNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)CC(=O)[O-]	REAL300013969351	1	51	0.0	-69.79	367.43	7.66	-62.13
CC(C)C[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)CC(=O)[O-]	REAL300013969357	0	58	0.0	-72.06	417.30	7.86	-64.20
CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)CC(=O)[O-]	REAL300013969362	0	57	0.0	-63.92	399.73	5.19	-58.73
CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)CC(=O)[O-]	REAL300013969362	1	57	0.0	-62.81	398.38	5.70	-57.11
CC(C)C[C@H](CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)CC(C)C1)CC(=O)[O-]	REAL300013969376	0	63	0.0	-76.63	453.90	12.39	-64.24
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)CC(C)C1)CC(=O)[O-]	REAL300013969376	1	63	0.0	-65.73	453.24	12.18	-53.55
CC(C)C[C@H](CNC(=O)NC1CC2CCC(C1)[NH+]2C)CC(=O)[O-]	REAL300013969384	0	54	0.0	-73.90	371.02	8.47	-65.43
CCC1C[N@H+](CC)CCN1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013969386	0	56	0.0	-70.35	390.69	8.91	-61.44
CCC1C[N@@H+](CC)CCN1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013969386	1	56	0.0	-74.76	394.09	9.52	-65.24
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC1CCCCC1)CC(=O)[O-]	REAL300013969387	0	65	0.0	-72.50	459.32	11.50	-61.00
CC(C)C[C@H](CNC(=O)NCCCCCCC[NH+](C)C)CC(=O)[O-]	REAL300013969388	0	61	0.0	-75.35	449.86	9.02	-66.33
CC(C)C[C@H](CNC(=O)NC(C)C1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013969389	0	56	0.0	-77.01	403.04	7.92	-69.09
COCC[N@@H+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013969390	0	54	0.0	-67.54	402.42	6.01	-61.53
COCC[N@H+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013969390	1	54	0.0	-67.03	403.97	5.64	-61.39
CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)CC(=O)[O-]	REAL300013969402	0	61	0.0	-73.30	424.22	9.02	-64.28
CC(C)C[C@H](CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)CC(=O)[O-]	REAL300013969402	1	61	0.0	-68.12	424.54	9.02	-59.10
CC(C)C[C@H](CNC(=O)N1CCCC([NH+]2CCCC2)CC1)CC(=O)[O-]	REAL300013969406	0	60	0.0	-63.16	420.93	10.62	-52.54
CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)CC(=O)[O-]	REAL300013969411	0	60	0.0	-67.89	418.72	11.03	-56.86
CC(C)C[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)CC(=O)[O-]	REAL300013969411	1	60	0.0	-71.56	419.35	11.07	-60.49
CC(C)C[C@H](CNC(=O)NCC(C)C[NH+]1CCOCC1)CC(=O)[O-]	REAL300013969417	1	57	0.0	-73.56	411.91	6.19	-67.37
CC(C)C[C@H](CNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1)CC(=O)[O-]	REAL300013969423	0	69	0.0	-71.34	468.20	11.59	-59.75
CC(C)C[C@H](CNC(=O)NC1CC(C)[N@@H+](C2CC2)C1)CC(=O)[O-]	REAL300013969428	0	54	0.0	-63.95	398.54	7.56	-56.39
CC(C)C[C@H](CNC(=O)NC1CC(C)[N@H+](C2CC2)C1)CC(=O)[O-]	REAL300013969428	1	54	0.0	-63.96	402.23	7.78	-56.18
CC(C)C[C@H](CNC(=O)N(C)C1CC[N@H+](C)CC1C)CC(=O)[O-]	REAL300013969439	0	56	0.0	-69.25	392.89	9.54	-59.71
CC(C)C[C@H](CNC(=O)N(C)C1CC[N@@H+](C)CC1C)CC(=O)[O-]	REAL300013969439	1	56	0.0	-76.90	390.70	8.98	-67.92
CC(C)C[C@H](CNC(=O)NC(C)C(C)(C)C[NH+](C)C)CC(=O)[O-]	REAL300013969440	0	58	0.0	-74.54	403.46	8.00	-66.54
CC[N@H+](CCC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1)CC1CC1	REAL300013969488	0	69	0.0	-77.91	492.06	12.91	-65.00
CC[N@@H+](CCC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1)CC1CC1	REAL300013969488	1	69	0.0	-74.52	486.49	12.74	-61.78
CC(C)C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C(C)C1)CC(=O)[O-]	REAL300013969504	0	60	0.0	-64.25	425.63	7.04	-57.21
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C(C)C1)CC(=O)[O-]	REAL300013969504	1	60	0.0	-75.61	421.16	7.23	-68.38
CC(C)C[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)CC(=O)[O-]	REAL300013969511	0	53	0.0	-67.20	374.45	6.98	-60.22
CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)CC(=O)[O-]	REAL300013969520	0	54	0.0	-70.93	388.87	5.34	-65.59
CC(C)C[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)CC(=O)[O-]	REAL300013969520	1	54	0.0	-71.73	385.59	5.18	-66.55
CC(C)C[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)CC(=O)[O-]	REAL300013969524	0	56	0.0	-68.45	385.32	8.99	-59.46
CC1=[NH+]C=CN1CCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013969538	1	51	0.0	-67.22	390.97	7.45	-59.77
CC(C)C[C@H](CNC(=O)NC(C[NH+](C)C)C1=CC=C(Cl)C=C1)CC(=O)[O-]	REAL300013969552	0	56	0.0	-65.18	432.36	9.53	-55.65
CC(C)C[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)CC(=O)[O-]	REAL300013969553	0	51	0.0	-79.57	353.64	8.16	-71.41
CC(C)C[C@H](CNC(=O)N1CC[NH+](C[C@H](C)O)CC1)CC(=O)[O-]	REAL300013969554	1	54	0.0	-73.11	394.68	5.52	-67.59
CC(C)C[C@H](CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)CC(=O)[O-]	REAL300013969555	1	54	0.0	-73.53	394.81	5.49	-68.04
CC(C)C[C@H](CNC(=O)N1CC[N@H+](CC(C)O)CC1C)CC(=O)[O-]	REAL300013969557	0	57	0.0	-67.56	409.11	6.05	-61.51
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CC(C)O)CC1C)CC(=O)[O-]	REAL300013969557	1	57	0.0	-73.72	410.96	6.27	-67.45
CC(C)C[C@H](CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)CC(=O)[O-]	REAL300013969558	0	57	0.0	-73.63	401.90	5.74	-67.89
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)CC(=O)[O-]	REAL300013969558	1	57	0.0	-66.91	394.76	5.85	-61.06
CCC(C)[NH+]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013969589	0	56	0.0	-68.38	392.25	8.89	-59.49
CC(C)C[C@H](CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)CC(=O)[O-]	REAL300013969592	0	64	0.0	-82.79	456.58	9.47	-73.32
CC(C)C[C@H](CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CC(=O)[O-]	REAL300013969606	0	68	0.0	-70.96	445.70	10.89	-60.07
CC(C)C[C@H](CNC(=O)N1CC[N@H+](C)CC1C(C)C)CC(=O)[O-]	REAL300013969617	0	56	0.0	-77.14	383.33	7.99	-69.15
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)CC1C(C)C)CC(=O)[O-]	REAL300013969617	1	56	0.0	-75.91	377.74	7.79	-68.12
CC(C)C[C@H](CNC(=O)N1CCC[N@@H+]2CCCC2C1)CC(=O)[O-]	REAL300013969639	0	54	0.0	-61.70	375.72	9.54	-52.16
CC(C)C[C@H](CNC(=O)N1CCC[N@H+]2CCCC2C1)CC(=O)[O-]	REAL300013969639	1	54	0.0	-70.06	371.96	9.79	-60.27
CC(C)C[C@H](CNC(=O)NCCC[N@@H+]1CCCC1C(=O)N(C)C)CC(=O)[O-]	REAL300013969640	0	63	0.0	-76.65	461.36	7.10	-69.55
CC(C)C[C@H](CNC(=O)NCCC[N@H+]1CCCC1C(=O)N(C)C)CC(=O)[O-]	REAL300013969640	1	63	0.0	-70.38	468.72	7.32	-63.06
CC(C)C[C@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)CC(=O)[O-]	REAL300013969641	0	60	0.0	-80.01	430.44	6.56	-73.45
CC(C)C[C@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)CC(=O)[O-]	REAL300013969641	1	60	0.0	-76.95	424.73	6.36	-70.59
CC(C)C[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)CC(=O)[O-]	REAL300013969651	0	54	0.0	-76.15	391.65	4.18	-71.97
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC1=CC=CO1)CC(=O)[O-]	REAL300013969674	0	56	0.0	-72.86	427.78	9.83	-63.03
CC(C)C[C@H](CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1)CC(=O)[O-]	REAL300013969696	0	59	0.0	-75.10	433.34	6.91	-68.19
CC[N@H+](CCC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1)CC(C)C	REAL300013969715	0	71	0.0	-76.70	491.76	12.59	-64.11
CC[N@@H+](CCC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1)CC(C)C	REAL300013969715	1	71	0.0	-76.99	498.05	12.80	-64.19
COC(=O)CC[N@@H+]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C1	REAL300013969728	1	59	0.0	-73.46	432.49	9.19	-64.27
COC(=O)CC[N@H+]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C1	REAL300013969728	1	59	0.0	-84.28	435.13	9.49	-74.79
CC(C)C[C@H](CNC(=O)NCC1=CC=C(CC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013969754	0	59	0.0	-79.68	445.14	9.64	-70.04
CC(C)C[C@H](CNC(=O)N1CC[N@H+](C)C(CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013969793	1	60	0.0	-70.07	425.66	10.91	-59.16
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)C(CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013969793	1	60	0.0	-75.80	431.25	11.09	-64.71
COC1=CC=C(C(C[NH+](C)C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300013969798	0	60	0.0	-59.74	445.18	8.32	-51.42
CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013969820	0	64	0.0	-68.71	445.53	8.00	-60.71
CCN1CC[NH+](CC(C)(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013969820	1	64	0.0	-68.28	440.74	7.43	-60.85
CC(C)C[C@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)CC(=O)[O-]	REAL300013969839	0	56	0.0	-65.56	396.74	8.44	-57.12
CC(C)C[C@H](CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)CC(=O)[O-]	REAL300013969844	0	59	0.0	-82.90	440.51	10.33	-72.57
CC(C)C[C@H](CNC(=O)N(C)C1CC[N@@H+](C(C)C)C1)CC(=O)[O-]	REAL300013969845	0	56	0.0	-64.51	403.57	9.12	-55.39
CC(C)C[C@H](CNC(=O)N(C)C1CC[N@H+](C(C)C)C1)CC(=O)[O-]	REAL300013969845	1	56	0.0	-64.66	401.47	8.95	-55.71
CC(C)C[C@H](CNC(=O)N1CCC[N@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013969865	0	63	0.0	-69.95	448.11	12.04	-57.91
CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013969865	1	63	0.0	-64.64	450.15	12.65	-51.99
CC(C)C[C@H](CNC(=O)NCC1(O)CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013969872	0	61	0.0	-69.37	459.36	6.90	-62.47
CC(C)C[C@H](CNC(=O)NCC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013969872	1	61	0.0	-69.49	460.32	6.98	-62.51
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC1CCCO1)CC(=O)[O-]	REAL300013969884	0	60	0.0	-66.45	436.44	8.93	-57.52
CC(C)C[C@H](CNC(=O)NCC1CC[N@H+](CC(C)C)C1)CC(=O)[O-]	REAL300013969909	0	59	0.0	-68.38	432.90	8.52	-59.86
CC(C)C[C@H](CNC(=O)NCC1CC[N@@H+](CC(C)C)C1)CC(=O)[O-]	REAL300013969909	1	59	0.0	-71.52	426.52	8.35	-63.17
CC(C)C[C@H](CNC(=O)NC1CC(C)[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013969924	0	60	0.0	-70.64	444.67	9.85	-60.79
CC(C)C[C@H](CNC(=O)NC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013969924	1	60	0.0	-69.02	443.70	9.83	-59.19
CC(C)C[C@H](CNC(=O)NC1C[N@@H+](C2CC2)CC1C)CC(=O)[O-]	REAL300013969929	0	54	0.0	-62.41	398.75	7.77	-54.64
CC(C)C[C@H](CNC(=O)NC1C[N@H+](C2CC2)CC1C)CC(=O)[O-]	REAL300013969929	1	54	0.0	-66.23	394.56	8.08	-58.15
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)CC(=O)[O-]	REAL300013969933	0	59	0.0	-71.80	417.51	11.12	-60.68
CCC(C[NH+]1CCCC1)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013969934	0	56	0.0	-72.18	400.08	7.55	-64.63
CC(C)C[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)CC(=O)[O-]	REAL300013969950	0	51	0.0	-70.12	384.33	7.08	-63.04
CC(C)C[C@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)CC(=O)[O-]	REAL300013969950	1	51	0.0	-69.88	384.31	7.08	-62.80
CC(C)C[C@H](CNC(=O)NC(C)C[N@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013969956	0	59	0.0	-74.99	437.79	9.95	-65.04
CC(C)C[C@H](CNC(=O)NC(C)C[N@@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013969956	1	59	0.0	-70.82	437.74	9.95	-60.87
CCN(CCC[NH+](C)C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013969966	0	55	0.0	-72.24	403.32	9.29	-62.95
CCCN(CCC[NH+](C)C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013969973	0	58	0.0	-68.70	430.21	10.27	-58.43
CC(C)C[C@H](CNC(=O)NCCOCC[NH+](C)C)CC(=O)[O-]	REAL300013969974	0	53	0.0	-64.32	402.04	5.58	-58.74
CCN(CCC[NH+](CC)CC)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013969980	0	61	0.0	-69.79	434.64	10.39	-59.40
CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013969981	0	59	0.0	-71.32	431.17	10.46	-60.86
CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)[N@H+](C)C1	REAL300013970000	0	57	0.0	-67.57	407.27	8.19	-59.38
CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)[N@@H+](C)C1	REAL300013970000	1	57	0.0	-77.08	412.85	7.27	-69.81
CC(C)C[C@H](CNC(=O)NC(C)C(C1=CC=CC=C1)[NH+](C)C)CC(=O)[O-]	REAL300013970004	0	59	0.0	-69.41	422.60	9.43	-59.98
CC1=CC=CC=C1C(C(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+](C)C	REAL300013970005	0	62	0.0	-59.21	436.63	10.06	-49.15
CC(C)C[C@H](CNC(=O)NCCCC[N@H+](C)C1CC1)CC(=O)[O-]	REAL300013970020	0	56	0.0	-71.54	414.63	8.09	-63.45
CC(C)C[C@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)CC(=O)[O-]	REAL300013970020	1	56	0.0	-71.77	414.63	8.08	-63.69
CC(C)C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1)CC(=O)[O-]	REAL300013970056	1	62	0.0	-65.69	425.66	4.92	-60.77
CC(C)C[C@H](CNC(=O)N(C)C1CC[N@H+](C)C(C)C1)CC(=O)[O-]	REAL300013970065	0	56	0.0	-73.03	387.88	8.62	-64.41
CC(C)C[C@H](CNC(=O)N(C)C1CC[N@@H+](C)C(C)C1)CC(=O)[O-]	REAL300013970065	1	56	0.0	-73.68	388.15	8.65	-65.03
CC1=[NH+]C=CN1CCCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013970073	1	54	0.0	-70.08	412.44	8.28	-61.80
CC(C)C[C@H](CNC(=O)NCC1([NH+](C)C)CC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013970075	0	60	0.0	-64.31	429.04	9.31	-55.00
CC(C)C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)CC(=O)[O-]	REAL300013970117	0	57	0.0	-69.38	402.07	6.41	-62.97
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2O)CC1)CC(=O)[O-]	REAL300013970156	0	64	0.0	-67.90	449.22	6.32	-61.58
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300013970194	0	63	0.0	-86.77	469.70	10.88	-75.89
CCC(C)[NH2+]C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1=CC=CO1	REAL300013970223	0	59	0.0	-65.11	437.52	7.41	-57.70
CC(C)C[C@H](CNC(=O)NCCC1CCC[N@H+](C)C1)CC(=O)[O-]	REAL300013970253	0	56	0.0	-75.31	405.56	7.65	-67.66
CC(C)C[C@H](CNC(=O)NCCC1CCC[N@@H+](C)C1)CC(=O)[O-]	REAL300013970253	1	56	0.0	-76.08	397.95	7.21	-68.87
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC1=CSC=C1)CC(=O)[O-]	REAL300013970256	0	56	0.0	-68.98	433.49	10.76	-58.22
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](C)C(C)C1)CC(=O)[O-]	REAL300013970309	0	53	0.0	-72.42	375.17	6.62	-65.80
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](C)C(C)C1)CC(=O)[O-]	REAL300013970309	1	53	0.0	-68.87	382.27	6.92	-61.95
COCCC[N@H+](C)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013970312	0	56	0.0	-70.53	420.66	5.83	-64.70
COCCC[N@@H+](C)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013970312	1	56	0.0	-72.70	415.27	5.59	-67.11
CC(C)C[C@H](CNC(=O)NCC(C)C[NH+]1CCN(C)CC1)CC(=O)[O-]	REAL300013970326	0	61	0.0	-71.76	437.11	6.03	-65.73
CC(C)C[C@H](CNC(=O)NCC(C)CN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013970326	1	61	0.0	-70.01	445.58	6.61	-63.40
CCN1CC[NH+](CC(C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013970327	0	64	0.0	-66.45	460.88	7.00	-59.45
CC[NH+]1CCN(CC(C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013970327	1	64	0.0	-68.72	463.32	7.30	-61.42
CC(C)C[C@H](CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300013970339	0	60	0.0	-70.00	422.33	5.16	-64.84
CC(C)C[C@H](CNC(=O)N(C)CCCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013970366	0	61	0.0	-73.06	439.99	7.73	-65.33
CC(C)C[C@H](CNC(=O)N(C)CCC[NH+]1CCN(C)CC1)CC(=O)[O-]	REAL300013970366	1	61	0.0	-67.26	445.01	7.83	-59.43
CC(C)C[C@H](CNC(=O)N1CCCC2C[N@H+](C)CCC21)CC(=O)[O-]	REAL300013970367	0	57	0.0	-68.51	388.40	8.92	-59.59
CC(C)C[C@H](CNC(=O)N1CCCC2C[N@@H+](C)CCC21)CC(=O)[O-]	REAL300013970367	1	57	0.0	-69.91	393.81	9.11	-60.80
CC(C)C[C@H](CNC(=O)NC(C)C1CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013970373	0	63	0.0	-76.69	463.53	10.50	-66.19
CC(C)C[C@H](CNC(=O)NC(C)C1CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013970373	1	63	0.0	-68.62	464.42	10.64	-57.98
CC(C)C[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)CC(=O)[O-]	REAL300013970383	0	56	0.0	-76.46	395.74	7.51	-68.95
CC(C)C[C@H](CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)CC(=O)[O-]	REAL300013970384	0	67	0.0	-80.24	478.07	10.26	-69.98
CC(C)C[C@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)CC(=O)[O-]	REAL300013970411	0	59	0.0	-67.37	416.49	8.52	-58.85
CC[N@H+](CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCC(F)(F)F	REAL300013970427	0	55	0.0	-74.72	412.64	7.32	-67.40
CC[N@@H+](CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCC(F)(F)F	REAL300013970427	1	55	0.0	-75.30	416.99	7.59	-67.71
CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013970430	0	59	0.0	-67.61	431.17	10.45	-57.16
CC(C)C[C@H](CNC(=O)N1CC([NH+]2CCCC2)CC1C)CC(=O)[O-]	REAL300013970436	0	57	0.0	-74.16	408.18	9.38	-64.78
CC(C)C[C@H](CNC(=O)N1CC([N@H+](C)CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013970439	0	57	0.0	-76.21	427.57	10.25	-65.96
CC(C)C[C@H](CNC(=O)N1CC([N@@H+](C)CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013970439	1	57	0.0	-76.74	427.58	10.26	-66.48
CC(C)C[C@H](CNC(=O)N(C)C1CC2CCC(C1)[NH+]2C)CC(=O)[O-]	REAL300013970445	0	57	0.0	-66.90	370.71	7.41	-59.49
CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013970446	0	62	0.0	-67.87	446.39	11.12	-56.75
CC(C)C[C@H](CNC(=O)NC1CC2CCC(C1)[NH+]2CC(=O)N(C)C)CC(=O)[O-]	REAL300013970457	0	64	0.0	-79.37	443.63	8.77	-70.60
CCC[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013970479	0	56	0.0	-68.53	409.50	7.94	-60.59
CC(C)C[C@H](CNC(=O)N1CC2C[N@H+](C)C(C3=CC=CC=C3)C2C1)CC(=O)[O-]	REAL300013970492	0	61	0.0	-72.65	435.95	10.53	-62.12
CC(C)C[C@H](CNC(=O)N1CC2C[N@@H+](C)C(C3=CC=CC=C3)C2C1)CC(=O)[O-]	REAL300013970492	1	61	0.0	-78.98	437.74	11.09	-67.89
CC(C)C[C@H](CNC(=O)NC1CCCCC1[NH+]1CCOCC1)CC(=O)[O-]	REAL300013970515	1	61	0.0	-70.69	426.49	7.03	-63.66
CC(C)C[C@H](CNC(=O)N1CCC(CC[N@@H+]2CCCCC2C)CC1)CC(=O)[O-]	REAL300013970518	0	69	0.0	-77.55	475.26	12.07	-65.48
CC(C)C[C@H](CNC(=O)N1CCC(CC[N@H+]2CCCCC2C)CC1)CC(=O)[O-]	REAL300013970518	1	69	0.0	-75.57	476.31	12.18	-63.39
CC1=CC=C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(N2CCCC2)=[NH+]1	REAL300013970555	1	59	0.0	-59.90	435.25	8.67	-51.23
CC(C)C[C@H](CNC(=O)NC(C)C1=CC[N@H+](C)CC1)CC(=O)[O-]	REAL300013970557	0	54	0.0	-76.88	394.72	7.60	-69.28
CC(C)C[C@H](CNC(=O)NC(C)C1=CC[N@@H+](C)CC1)CC(=O)[O-]	REAL300013970557	1	54	0.0	-76.89	395.15	7.68	-69.21
CC(C)C[C@H](CNC(=O)NC(C)C1CCC[N@@H+](C2CCC2)C1)CC(=O)[O-]	REAL300013970559	0	63	0.0	-72.11	436.34	9.12	-62.99
CC(C)C[C@H](CNC(=O)NC(C)C1CCC[N@H+](C2CCC2)C1)CC(=O)[O-]	REAL300013970559	1	63	0.0	-66.16	441.93	9.81	-56.35
CC(C)C[C@H](CNC(=O)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)CC(=O)[O-]	REAL300013970562	0	61	0.0	-59.56	454.55	7.51	-52.05
CC(C)C[C@H](CNC(=O)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)CC(=O)[O-]	REAL300013970562	1	61	0.0	-60.99	453.72	6.82	-54.17
CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013970574	0	68	0.0	-77.64	480.90	12.15	-65.49
CC(C)C[C@H](CNC(=O)NCCC[N@@H+]1CCCOC(C)C1)CC(=O)[O-]	REAL300013970603	0	60	0.0	-70.53	435.53	7.53	-63.00
CC(C)C[C@H](CNC(=O)NCCC[N@H+]1CCCOC(C)C1)CC(=O)[O-]	REAL300013970603	1	60	0.0	-69.99	436.21	7.05	-62.94
CC(C)C[C@H](CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)CC(=O)[O-]	REAL300013970607	0	65	0.0	-73.44	454.62	8.56	-64.88
CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013970614	0	56	0.0	-64.90	413.23	7.86	-57.04
CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013970614	1	56	0.0	-66.73	401.87	7.33	-59.40
CC(C)C[C@H](CNC(=O)N(C)CCC[N@H+](C)CC1=CC=CO1)CC(=O)[O-]	REAL300013970622	0	59	0.0	-75.21	445.46	10.27	-64.94
CC(C)C[C@H](CNC(=O)N(C)CCC[N@@H+](C)CC1=CC=CO1)CC(=O)[O-]	REAL300013970622	1	59	0.0	-76.07	444.40	10.19	-65.88
CC(C)C[C@H](CNC(=O)N1CCC([NH+]2CCCC2)C1C)CC(=O)[O-]	REAL300013970640	0	57	0.0	-71.74	399.08	9.36	-62.38
CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013970642	0	62	0.0	-66.69	433.46	10.58	-56.11
CC(C)C[C@H](CNC(=O)N(C)CCC1CCCC[N@@H+]1C)CC(=O)[O-]	REAL300013970647	0	59	0.0	-69.99	417.86	9.85	-60.14
CC(C)C[C@H](CNC(=O)N(C)CCC1CCCC[N@H+]1C)CC(=O)[O-]	REAL300013970647	1	59	0.0	-74.06	416.48	9.80	-64.26
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013970654	0	63	0.0	-69.74	449.22	11.85	-57.89
CC(C)C[C@H](CNC(=O)N1CCC2C(CCC[N@@H+]2C)C1)CC(=O)[O-]	REAL300013970691	0	57	0.0	-72.30	390.68	8.94	-63.36
CC(C)C[C@H](CNC(=O)N1CCC2C(CCC[N@H+]2C)C1)CC(=O)[O-]	REAL300013970691	1	57	0.0	-79.53	395.99	9.06	-70.47
CC(C)C[C@H](CNC(=O)N1CCN(C(=O)C2CCC[N@@H+]2C)CC1)CC(=O)[O-]	REAL300013970702	0	61	0.0	-71.44	436.53	8.35	-63.09
CC(C)C[C@H](CNC(=O)N1CCN(C(=O)C2CCC[N@H+]2C)CC1)CC(=O)[O-]	REAL300013970702	1	61	0.0	-81.93	436.99	8.36	-73.57
CC(C)C[C@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)CC(=O)[O-]	REAL300013970703	0	60	0.0	-75.11	418.04	10.06	-65.05
CC1=CC=[NH+]C(N2CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)=C1	REAL300013970706	1	56	0.0	-68.85	409.53	8.59	-60.26
CC(C)C[C@H](CNC(=O)NNC1=[NH+]N=CC(N)=C1Cl)CC(=O)[O-]	REAL300013970716	0	44	0.0	-60.18	353.82	3.43	-56.75
CC(C)C[C@H](CNC(=O)NCC1CCCC[N@@H+]1C1CC1)CC(=O)[O-]	REAL300013970774	0	57	0.0	-63.66	409.03	8.20	-55.46
CC(C)C[C@H](CNC(=O)NCC1CCCC[N@H+]1C1CC1)CC(=O)[O-]	REAL300013970774	1	57	0.0	-63.62	410.42	8.15	-55.47
CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)CC(=O)[O-]	REAL300013970794	0	59	0.0	-65.92	423.70	8.32	-57.60
CC(C)C[C@H](CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)CC(=O)[O-]	REAL300013970794	1	59	0.0	-68.10	418.30	8.09	-60.01
CC(C)C[C@H](CNC(=O)NC(C[NH+](C)C)C1=CC=C(F)C=C1)CC(=O)[O-]	REAL300013970806	0	56	0.0	-66.43	422.14	9.06	-57.37
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1C)CC(=O)[O-]	REAL300013970846	0	60	0.0	-69.00	432.94	9.73	-59.27
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1C)CC(=O)[O-]	REAL300013970846	1	60	0.0	-70.48	434.44	9.94	-60.54
CC(C)C[C@H](CNC(=O)N1CCC([N@H+](C)CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013970853	0	60	0.0	-70.73	446.64	11.21	-59.52
CC(C)C[C@H](CNC(=O)N1CCC([N@@H+](C)CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013970853	1	60	0.0	-71.27	446.57	11.20	-60.07
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](CC2CCCC2)C1)CC(=O)[O-]	REAL300013970868	0	60	0.0	-70.68	430.62	9.01	-61.67
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](CC2CCCC2)C1)CC(=O)[O-]	REAL300013970868	1	60	0.0	-71.25	430.66	9.01	-62.24
CC[N@@H+]1CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013970907	0	53	0.0	-79.24	377.58	9.24	-70.00
CC[N@H+]1CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013970907	1	53	0.0	-62.55	377.20	9.21	-53.34
CC(C)C[C@H](CNC(=O)NC(C)C1C[N@H+](C)CCO1)CC(=O)[O-]	REAL300013970916	1	54	0.0	-76.83	394.17	5.59	-71.24
CC(C)C[C@H](CNC(=O)NC(C)C1C[N@@H+](C)CCO1)CC(=O)[O-]	REAL300013970916	1	54	0.0	-76.77	395.36	5.99	-70.78
CC(C)C[C@H](CNC(=O)NCCC(C)[NH+]1CCCCC1)CC(=O)[O-]	REAL300013970925	0	59	0.0	-65.19	415.33	8.13	-57.06
CC(C)C[C@H](CNC(=O)N(C)C(C)C1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013970934	0	59	0.0	-75.39	416.49	10.18	-65.21
CC[NH+](CC)CCOCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013970947	0	59	0.0	-66.99	431.66	6.74	-60.25
CC(C)C[C@H](CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)CC(=O)[O-]	REAL300013970953	0	68	0.0	-78.02	461.61	8.68	-69.34
CC(C)C[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)CC(=O)[O-]	REAL300013970958	0	57	0.0	-72.88	410.19	8.33	-64.55
CC1=C[NH+]=CC=C1OC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013970969	1	58	0.0	-69.56	432.53	9.35	-60.21
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)CC(=O)[O-]	REAL300013970987	0	61	0.0	-66.58	428.81	8.67	-57.91
CC(C)C[C@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)CC(=O)[O-]	REAL300013970987	1	61	0.0	-78.65	426.98	8.39	-70.26
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)CC(=O)[O-]	REAL300013970988	0	61	0.0	-66.57	427.15	8.47	-58.10
CC(C)C[C@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)CC(=O)[O-]	REAL300013970988	1	61	0.0	-77.85	429.10	8.68	-69.17
CC(C)C[C@H](CNC(=O)NCC1=CC=NC=C1OCCC[NH+](C)C)CC(=O)[O-]	REAL300013970998	0	62	0.0	-66.32	474.61	7.65	-58.67
CC(C)C[C@H](CNC(=O)N(C)CCC[N@H+](C)CCN(C)C)CC(=O)[O-]	REAL300013971000	0	63	0.0	-73.07	459.44	7.87	-65.20
CC(C)C[C@H](CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC(=O)[O-]	REAL300013971000	1	63	0.0	-70.43	454.51	7.76	-62.67
CC(C)C[C@H](CNC(=O)N(C)CCCN(C)CC[NH+](C)C)CC(=O)[O-]	REAL300013971000	1	63	0.0	-74.72	454.89	7.96	-66.76
CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971001	0	65	0.0	-66.87	454.95	11.33	-55.54
CC(C)C[C@H](CNC(=O)N[C@H](C)C[N@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013971007	0	59	0.0	-75.03	437.71	9.95	-65.08
CC(C)C[C@H](CNC(=O)N[C@H](C)C[N@@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013971007	1	59	0.0	-74.34	437.24	9.94	-64.40
CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971025	0	58	0.0	-65.64	427.20	8.77	-56.87
CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971025	1	58	0.0	-68.09	421.20	8.51	-59.58
CCC[N@H+](C)CC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013971053	0	59	0.0	-73.82	424.14	9.64	-64.18
CCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013971053	1	59	0.0	-73.80	423.98	9.69	-64.11
CC[NH+](CC)C1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013971054	0	56	0.0	-70.14	395.96	8.49	-61.65
CC(C)C[C@H](CNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013971062	0	60	0.0	-72.91	438.02	10.47	-62.44
CC(C)C[C@H](CNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013971062	1	60	0.0	-71.88	441.99	9.94	-61.94
CC(C)C[C@H](CNC(=O)N(C)CC1CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013971070	0	63	0.0	-71.21	457.63	11.97	-59.24
CC(C)C[C@H](CNC(=O)N(C)CC1CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013971070	1	63	0.0	-72.23	464.60	12.14	-60.09
CC(C)C[C@H](CNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)CC(=O)[O-]	REAL300013971077	0	68	0.0	-68.69	460.18	8.54	-60.15
CC[N@@H+]1CCC(N(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C1	REAL300013971092	0	59	0.0	-72.26	415.63	10.05	-62.21
CC[N@H+]1CCC(N(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C1	REAL300013971092	1	59	0.0	-51.74	394.64	9.11	-42.63
CC(C)C[C@H](CNC(=O)NCC1CCC[N@H+](CC(C)C)C1)CC(=O)[O-]	REAL300013971096	0	62	0.0	-68.00	434.89	9.19	-58.81
CC(C)C[C@H](CNC(=O)NCC1CCC[N@@H+](CC(C)C)C1)CC(=O)[O-]	REAL300013971096	1	62	0.0	-67.85	434.66	9.09	-58.76
CC(C)C[C@H](CNC(=O)N1CCC2C(CCC[N@@H+]2C2CC2)C1)CC(=O)[O-]	REAL300013971101	0	61	0.0	-65.98	427.38	10.36	-55.62
CC(C)C[C@H](CNC(=O)N1CCC2C(CCC[N@H+]2C2CC2)C1)CC(=O)[O-]	REAL300013971101	1	61	0.0	-72.69	416.92	10.08	-62.61
CCC1CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC[N@@H+]1CC1=CC=CC=C1	REAL300013971122	0	63	0.0	-76.70	456.49	11.93	-64.77
CCC1CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC[N@H+]1CC1=CC=CC=C1	REAL300013971122	1	63	0.0	-74.59	452.71	12.19	-62.40
CC(C)C[C@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)CC(=O)[O-]	REAL300013971135	0	59	0.0	-72.73	412.22	8.30	-64.43
CC(C)C[C@H](CNC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC(=O)[O-]	REAL300013971175	1	60	0.0	-67.41	435.27	8.52	-58.89
CC(C)C[C@H](CNC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC(=O)[O-]	REAL300013971175	1	60	0.0	-66.65	434.53	8.71	-57.94
CC(C)C[C@H](CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)CC(=O)[O-]	REAL300013971176	1	60	0.0	-69.54	432.81	8.46	-61.08
CC(C)C[C@H](CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)CC(=O)[O-]	REAL300013971176	1	60	0.0	-66.93	433.12	8.49	-58.44
CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971194	0	58	0.0	-73.17	421.21	8.53	-64.64
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971194	1	58	0.0	-67.47	427.21	8.78	-58.69
CC(C)C[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC(=O)[O-]	REAL300013971196	0	55	0.0	-62.00	396.57	8.16	-53.84
CC(C)C[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC(=O)[O-]	REAL300013971196	1	55	0.0	-62.62	395.50	7.54	-55.08
CCCC[N@H+](C)CC(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971197	0	58	0.0	-73.17	421.21	8.53	-64.64
CCCC[N@@H+](C)CC(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971197	1	58	0.0	-67.41	427.20	8.77	-58.64
CC1=CC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)=CC(N2CCCC2)=[NH+]1	REAL300013971205	1	59	0.0	-64.18	442.10	7.48	-56.70
CSC1(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC[NH+](C)CC1	REAL300013971207	0	57	0.0	-68.32	413.86	7.83	-60.49
CC(C)C[C@H](CNC(=O)N1CCC(C)[N@H+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013971227	0	63	0.0	-64.40	449.77	11.82	-52.58
CC(C)C[C@H](CNC(=O)N1CCC(C)[N@@H+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013971227	1	63	0.0	-67.78	451.24	12.47	-55.31
CC(C)C[C@H](CNC(=O)N1CCC2CCC(C1)[N@@H+]2C)CC(=O)[O-]	REAL300013971250	0	54	0.0	-60.67	379.97	9.22	-51.45
CC(C)C[C@H](CNC(=O)N1CCC2CCC(C1)[N@H+]2C)CC(=O)[O-]	REAL300013971250	1	54	0.0	-55.94	372.69	9.15	-46.79
CC1=[NH+]C=CN1CCCN(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971261	1	54	0.0	-68.54	408.59	9.85	-58.69
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)CC(=O)[O-]	REAL300013971273	0	55	0.0	-73.22	395.73	9.79	-63.43
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C(C)C2=CC=NC=C2)CC1)CC(=O)[O-]	REAL300013971279	0	62	0.0	-76.51	451.75	8.90	-67.61
CC(C)C[C@H](CNC(=O)NCC1CC(C)[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013971282	0	63	0.0	-72.24	458.15	10.05	-62.19
CC(C)C[C@H](CNC(=O)NCC1CC(C)[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013971282	1	63	0.0	-73.43	464.94	10.42	-63.01
CC(C)C[C@H](CNC(=O)NCC1(O)CC[N@H+](C)C1)CC(=O)[O-]	REAL300013971300	0	51	0.0	-70.01	376.36	3.23	-66.78
CC(C)C[C@H](CNC(=O)NCC1(O)CC[N@@H+](C)C1)CC(=O)[O-]	REAL300013971300	1	51	0.0	-68.95	381.95	3.36	-65.59
CCCN(CC[NH+](CC)CC)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971308	0	61	0.0	-64.23	443.72	10.85	-53.38
CC(C)C[C@H](CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013971318	0	60	0.0	-69.91	451.58	10.13	-59.78
CC(C)C[C@H](CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013971318	1	60	0.0	-73.30	441.32	10.33	-62.97
CC(C)C[C@H](CNC(=O)NCC1[N@H+](C)CCCC1(C)C)CC(=O)[O-]	REAL300013971345	0	59	0.0	-69.43	402.67	8.02	-61.41
CC(C)C[C@H](CNC(=O)NCC1[N@@H+](C)CCCC1(C)C)CC(=O)[O-]	REAL300013971345	1	59	0.0	-65.19	402.53	9.12	-56.07
CC(C)C[C@H](CNC(=O)NCC1CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013971353	0	60	0.0	-74.04	444.59	9.79	-64.25
CC(C)C[C@H](CNC(=O)NCC1CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013971353	1	60	0.0	-74.34	447.11	9.85	-64.49
CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971367	0	55	0.0	-66.60	383.17	7.75	-58.85
CC(C)C[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1)CC(=O)[O-]	REAL300013971369	0	61	0.0	-77.13	444.20	11.34	-65.79
CC(C)C[C@H](CNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1)CC(=O)[O-]	REAL300013971369	1	61	0.0	-79.98	445.96	11.47	-68.51
CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971382	0	58	0.0	-68.70	407.55	8.76	-59.94
CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971382	1	58	0.0	-64.91	418.77	8.34	-56.57
CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971385	0	58	0.0	-63.42	417.53	8.47	-54.95
CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971385	1	58	0.0	-69.19	422.93	8.61	-60.58
CC(C)C[C@H](CNC(=O)N1CCCC(C[N@@H+]2CCCCC2C)C1)CC(=O)[O-]	REAL300013971422	0	66	0.0	-78.37	453.59	11.47	-66.90
CC(C)C[C@H](CNC(=O)N1CCCC(C[N@H+]2CCCCC2C)C1)CC(=O)[O-]	REAL300013971422	1	66	0.0	-71.01	460.25	11.78	-59.23
CC(C)C[C@H](CNC(=O)N1CCC2CCC(C1)[N@@H+]2C(C)C)CC(=O)[O-]	REAL300013971452	0	60	0.0	-62.11	393.16	9.10	-53.01
CC(C)C[C@H](CNC(=O)N1CCC2CCC(C1)[N@H+]2C(C)C)CC(=O)[O-]	REAL300013971452	1	60	0.0	-57.11	414.37	10.36	-46.75
CC(C)C[C@H](CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)CC(=O)[O-]	REAL300013971454	0	64	0.0	-76.08	461.37	10.30	-65.78
CC(C)C[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)C1)CC(=O)[O-]	REAL300013971459	0	57	0.0	-69.56	415.59	9.53	-60.03
CC(C)C[C@H](CNC(=O)N1CCC(C[N@H+](C)CC2CC2)C1)CC(=O)[O-]	REAL300013971465	0	60	0.0	-73.35	435.96	10.46	-62.89
CC(C)C[C@H](CNC(=O)N1CCC(C[N@@H+](C)CC2CC2)C1)CC(=O)[O-]	REAL300013971465	1	60	0.0	-74.45	435.95	10.46	-63.99
CC(C)C[C@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)CC(=O)[O-]	REAL300013971466	0	61	0.0	-65.34	429.81	8.10	-57.24
CC(C)C[C@H](CNC(=O)N1CC[NH+](CCOC(C)C)CC1)CC(=O)[O-]	REAL300013971467	1	60	0.0	-71.96	432.77	8.72	-63.24
CC(C)C[C@H](CNC(=O)N(C)C1CCC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013971470	0	63	0.0	-73.30	455.10	12.05	-61.25
CC(C)C[C@H](CNC(=O)N(C)C1CCC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013971470	1	63	0.0	-66.98	460.28	12.16	-54.82
CC(C)C[C@H](CNC(=O)NCCC(C)[N@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013971480	0	62	0.0	-70.45	458.89	10.03	-60.42
CC(C)C[C@H](CNC(=O)NCCC(C)[N@@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013971480	1	62	0.0	-67.80	455.55	9.99	-57.81
CC(C)C[C@H](CNC(=O)NCC(C1=CC=C(Cl)C=C1)[NH+](C)C)CC(=O)[O-]	REAL300013971486	0	56	0.0	-76.13	430.96	9.30	-66.83
CCC[N@H+](CC)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971490	0	55	0.0	-68.16	394.50	6.96	-61.20
CCC[N@@H+](CC)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971490	1	55	0.0	-66.16	404.22	7.39	-58.77
CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013971496	0	63	0.0	-72.23	454.80	9.13	-63.10
CC(C)C[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)CC(=O)[O-]	REAL300013971503	0	66	0.0	-78.19	471.12	11.97	-66.22
CC(C)C[C@H](CNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)CC(=O)[O-]	REAL300013971507	1	63	0.0	-71.82	431.81	8.49	-63.33
CC(C)C[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)CC(=O)[O-]	REAL300013971516	0	66	0.0	-72.00	462.24	10.07	-61.93
CC(C)C[C@H](CNC(=O)NCC(C)(O)C[NH+](C)C)CC(=O)[O-]	REAL300013971519	0	53	0.0	-69.47	390.99	4.17	-65.30
CC(C)C[C@H](CNC(=O)NC(C[N@H+](C)CC1=CC=CC=C1)C(C)C)CC(=O)[O-]	REAL300013971575	0	65	0.0	-68.48	479.66	11.38	-57.10
CC(C)C[C@H](CNC(=O)NC(C[N@@H+](C)CC1=CC=CC=C1)C(C)C)CC(=O)[O-]	REAL300013971575	1	65	0.0	-70.03	477.39	11.23	-58.80
CC(C)C[C@H](CNC(=O)NCC[N@H+]1CC=CCC1)CC(=O)[O-]	REAL300013971591	0	51	0.0	-69.33	376.06	6.90	-62.43
CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CC=CCC1)CC(=O)[O-]	REAL300013971591	1	51	0.0	-69.86	376.07	6.93	-62.93
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C2CCC2)CC(C)C1)CC(=O)[O-]	REAL300013971638	0	60	0.0	-73.99	425.02	10.55	-63.44
CC(C)C[C@H](CNC(=O)N1CC[N@H+](C2CCC2)CC(C)C1)CC(=O)[O-]	REAL300013971638	1	60	0.0	-60.46	416.00	11.05	-49.41
CC(C)C[C@H](CNC(=O)N1CCC2(CC[N@H+](C)C2)C1)CC(=O)[O-]	REAL300013971648	0	54	0.0	-76.92	389.23	8.32	-68.60
CC(C)C[C@H](CNC(=O)N1CCC2(CC[N@@H+](C)C2)C1)CC(=O)[O-]	REAL300013971648	1	54	0.0	-70.20	394.35	8.46	-61.74
CC(C)C[C@H](CNC(=O)NCC1CCC[N@@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300013971651	0	60	0.0	-66.45	438.09	9.47	-56.98
CC(C)C[C@H](CNC(=O)NCC1CCC[N@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300013971651	1	60	0.0	-65.83	443.72	9.63	-56.20
CC(C)C[C@H](CNC(=O)NC(C[NH+]1CCCCC1)C1=CC=CC=C1)CC(=O)[O-]	REAL300013971660	0	63	0.0	-72.02	461.16	11.49	-60.53
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](C2CC2)C1)CC(=O)[O-]	REAL300013971665	0	51	0.0	-67.83	378.59	7.16	-60.67
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](C2CC2)C1)CC(=O)[O-]	REAL300013971665	1	51	0.0	-65.26	384.29	7.39	-57.87
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300013971669	0	62	0.0	-74.76	462.23	12.20	-62.56
CC(C)C[C@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)CC(=O)[O-]	REAL300013971670	0	60	0.0	-74.47	432.19	8.71	-65.76
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](C2CCN(C)CC2)C1)CC(=O)[O-]	REAL300013971674	0	62	0.0	-69.41	442.72	6.22	-63.19
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](C2CCN(C)CC2)C1)CC(=O)[O-]	REAL300013971674	1	62	0.0	-71.02	443.45	6.26	-64.76
CC(C)C[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)C1)CC(=O)[O-]	REAL300013971674	1	62	0.0	-71.15	448.85	6.37	-64.78
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)CC(=O)[O-]	REAL300013971691	0	63	0.0	-70.15	437.78	9.21	-60.94
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CCOC(C)C)CC1)CC(=O)[O-]	REAL300013971697	0	63	0.0	-67.59	463.12	8.13	-59.46
CC(C)C[C@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)CC(=O)[O-]	REAL300013971702	0	58	0.0	-66.94	412.29	7.89	-59.05
CC(C)C[C@H](CNC(=O)NCCCCCCC[NH+]1CCCC1)CC(=O)[O-]	REAL300013971707	0	65	0.0	-73.91	475.82	10.20	-63.71
CC(C)C[C@H](CNC(=O)NC(C)(C)C[N@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013971724	0	62	0.0	-73.59	442.74	10.97	-62.62
CC(C)C[C@H](CNC(=O)NC(C)(C)C[N@@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013971724	1	62	0.0	-69.12	448.03	10.95	-58.17
CC(C)C[C@H](CNC(=O)N1CCN(C2=CC=[NH+]C=C2Cl)CC1)CC(=O)[O-]	REAL300013971732	1	53	0.0	-74.69	414.15	8.04	-66.65
CC[N@H+](CCO)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971744	0	53	0.0	-66.76	393.47	3.42	-63.34
CC[N@@H+](CCO)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013971744	1	53	0.0	-68.43	387.79	3.21	-65.22
CC(C)C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)CC(=O)[O-]	REAL300013971764	0	53	0.0	-68.52	394.16	9.06	-59.46
CC(C)C[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)CC(=O)[O-]	REAL300013971764	1	53	0.0	-63.88	389.10	8.95	-54.93
CC(C)C[C@H](CNC(=O)NC(C)CC[NH+]1CCN(C)CC1)CC(=O)[O-]	REAL300013971774	0	61	0.0	-75.14	441.72	6.23	-68.91
CC(C)C[C@H](CNC(=O)NC(C)CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013971774	1	61	0.0	-71.94	442.13	6.34	-65.60
CC(C)C[C@H](CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)CC(=O)[O-]	REAL300013971776	0	64	0.0	-75.52	448.51	6.15	-69.37
CC(C)C[C@H](CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013971776	1	64	0.0	-76.81	448.90	6.26	-70.55
CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013971782	0	63	0.0	-62.37	462.64	12.49	-49.88
CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013971782	1	63	0.0	-63.14	462.70	12.32	-50.82
CC(C)C[C@H](CNC(=O)N(C)C1CC[N@@H+](C2CCN(C)CC2)C1)CC(=O)[O-]	REAL300013971783	0	65	0.0	-72.35	460.67	8.32	-64.03
CC(C)C[C@H](CNC(=O)N(C)C1CC[N@H+](C2CCN(C)CC2)C1)CC(=O)[O-]	REAL300013971783	1	65	0.0	-67.44	461.12	8.44	-59.00
CC(C)C[C@H](CNC(=O)N(C)C1CCN(C2CC[NH+](C)CC2)C1)CC(=O)[O-]	REAL300013971783	1	65	0.0	-78.08	461.17	8.28	-69.80
CC(C)C[C@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)CC(=O)[O-]	REAL300013971837	0	63	0.0	-75.33	458.38	5.93	-69.40
CC(C)C[C@H](CNC(=O)N(C)CC1CCC[N@H+](C)C1)CC(=O)[O-]	REAL300013971867	0	56	0.0	-73.04	398.08	8.92	-64.12
CC(C)C[C@H](CNC(=O)N(C)CC1CCC[N@@H+](C)C1)CC(=O)[O-]	REAL300013971867	1	56	0.0	-73.81	390.45	8.50	-65.31
CC(C)C[C@H](CNC(=O)N1CCN(C2CCC[N@H+](C)C2)CC1)CC(=O)[O-]	REAL300013971871	0	62	0.0	-68.18	429.87	7.50	-60.68
CC(C)C[C@H](CNC(=O)N1CCN(C2CCC[N@@H+](C)C2)CC1)CC(=O)[O-]	REAL300013971871	1	62	0.0	-69.26	427.34	7.30	-61.96
CC(C)C[C@H](CNC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)CC(=O)[O-]	REAL300013971882	0	63	0.0	-71.10	433.14	10.47	-60.63
CCOCCC[N@@H+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C1	REAL300013971883	0	66	0.0	-72.68	470.79	8.51	-64.17
CCOCCC[N@H+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C1	REAL300013971883	1	66	0.0	-75.12	479.97	8.66	-66.46
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](CCN2CCOCC2)C1)CC(=O)[O-]	REAL300013971884	0	63	0.0	-75.42	454.82	4.92	-70.50
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](CCN2CCOCC2)C1)CC(=O)[O-]	REAL300013971884	1	63	0.0	-75.25	454.74	4.78	-70.47
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C(C)C2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013971890	0	63	0.0	-67.48	456.95	10.56	-56.92
CC(C)C[C@H](CNC(=O)NCC1([NH+](C)C)CCSC1)CC(=O)[O-]	REAL300013971900	0	54	0.0	-64.83	387.03	7.19	-57.64
CC(C)C[C@H](CNC(=O)N1CC[NH+](C2CC3CCC2C3)CC1)CC(=O)[O-]	REAL300013971911	0	61	0.0	-72.23	425.58	10.80	-61.43
CC[N@@H+]1CCC(N(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1C	REAL300013971913	0	59	0.0	-64.95	401.76	9.51	-55.44
CC[N@H+]1CCC(N(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1C	REAL300013971913	1	59	0.0	-74.45	411.20	9.41	-65.04
CC(C)C[C@H](CNC(=O)NCC[N@H+](C)CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300013971922	0	56	0.0	-75.85	430.87	8.98	-66.87
CC(C)C[C@H](CNC(=O)NCC[N@@H+](C)CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300013971922	1	56	0.0	-78.14	425.42	8.78	-69.36
CC(C)C[C@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)CC(=O)[O-]	REAL300013971923	0	63	0.0	-76.52	454.76	9.35	-67.17
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)CC(=O)[O-]	REAL300013971929	0	60	0.0	-69.93	420.86	8.69	-61.24
CC(C)C[C@H](CNC(=O)N1CCC(C2CC[NH+](C)CC2)C1)CC(=O)[O-]	REAL300013971931	0	60	0.0	-72.15	434.01	10.15	-62.00
CC(C)C[C@H](CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)CC(=O)[O-]	REAL300013971999	0	65	0.0	-74.76	442.01	8.93	-65.83
CC(C)C[C@H](CNC(=O)NCC1CCC[N@@H+]1C1CCCCC1)CC(=O)[O-]	REAL300013972022	0	63	0.0	-70.66	440.73	8.95	-61.71
CC(C)C[C@H](CNC(=O)NCC1CCC[N@H+]1C1CCCCC1)CC(=O)[O-]	REAL300013972022	1	63	0.0	-64.44	435.16	10.13	-54.31
CC(C)C[C@H](CNC(=O)NCC1(C)CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013972026	0	63	0.0	-74.23	464.35	10.63	-63.60
CC(C)C[C@H](CNC(=O)NCC1(C)CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013972026	1	63	0.0	-72.57	463.66	10.56	-62.01
CC(C)C[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)CC(=O)[O-]	REAL300013972030	0	56	0.0	-71.36	412.35	9.60	-61.76
CC(C)C[C@H](CNC(=O)N1CCC2(C1)CCC[N@H+](C)C2)CC(=O)[O-]	REAL300013972040	0	57	0.0	-70.86	401.87	9.12	-61.74
CC(C)C[C@H](CNC(=O)N1CCC2(C1)CCC[N@@H+](C)C2)CC(=O)[O-]	REAL300013972040	1	57	0.0	-80.65	402.04	9.22	-71.43
CC(C)C[C@H](CNC(=O)NCCCCC[NH+]1CCCC1)CC(=O)[O-]	REAL300013972047	0	59	0.0	-73.55	432.83	8.64	-64.91
C#CC[N@@H+](C)CCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013972065	0	51	0.0	-70.70	394.47	7.37	-63.33
C#CC[N@H+](C)CCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013972065	1	51	0.0	-73.83	389.08	7.14	-66.69
CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)CC(=O)[O-]	REAL300013972066	0	53	0.0	-69.88	367.07	7.65	-62.23
CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)CC(=O)[O-]	REAL300013972066	1	53	0.0	-67.97	373.39	8.03	-59.94
CC(C)C[C@H](CNC(=O)NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013972068	0	61	0.0	-75.25	452.97	6.74	-68.51
CC(C)C[C@H](CNC(=O)NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013972068	1	61	0.0	-76.38	453.52	6.76	-69.62
COCC[NH+]1C2CCC1CC(N(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C2	REAL300013972075	0	64	0.0	-58.72	426.09	7.24	-51.48
CCC1C[N@H+](C)CCN1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013972076	0	53	0.0	-78.20	378.12	8.48	-69.72
CCC1C[N@@H+](C)CCN1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013972076	1	53	0.0	-70.72	365.70	7.79	-62.93
CC(C)C[C@H](CNC(=O)NC(CC[NH+](C)C)C(C)(C)C)CC(=O)[O-]	REAL300013972089	0	61	0.0	-71.32	434.97	8.70	-62.62
CC[N@H+](C)CC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013972121	0	56	0.0	-69.45	407.88	9.12	-60.33
CC[N@@H+](C)CC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013972121	1	56	0.0	-73.27	402.48	8.94	-64.33
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013972124	0	63	0.0	-74.22	461.85	10.75	-63.47
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013972124	1	63	0.0	-76.88	457.00	11.16	-65.72
CC(C)C[C@H](CNC(=O)NC1CCCC([NH+](C)C)C1)CC(=O)[O-]	REAL300013972128	0	56	0.0	-70.43	400.86	8.19	-62.24
CC(C)C[C@H](CNC(=O)N(CC1=CC=CC=C1)C1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013972130	0	63	0.0	-70.79	459.31	12.69	-58.10
CC(C)C[C@H](CNC(=O)N1CC[NH+](CC2CCOC2)CC1)CC(=O)[O-]	REAL300013972148	0	58	0.0	-73.81	412.20	7.86	-65.95
CC1=CC(N2CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)=NC(C)=[NH+]1	REAL300013972150	1	61	0.0	-67.25	454.20	7.62	-59.63
CC(C)C[C@H](CNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)CC(=O)[O-]	REAL300013972181	0	68	0.0	-68.75	460.47	8.53	-60.22
CC(C)C[C@H](CNC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)CC(=O)[O-]	REAL300013972181	1	68	0.0	-74.66	469.59	8.91	-65.75
CC(C)C[C@H](CNC(=O)NCC1=CC=NC(OCC[NH+](C)C)=C1)CC(=O)[O-]	REAL300013972202	0	59	0.0	-74.15	450.14	5.98	-68.17
CC(C)C[C@H](CNC(=O)NCC(C1CC1)[N@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013972215	0	63	0.0	-68.08	460.23	12.00	-56.08
CC(C)C[C@H](CNC(=O)NCC(C1CC1)[N@@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013972215	1	63	0.0	-67.93	468.75	11.24	-56.69
CC(C)C[C@H](CNC(=O)N1CCC(C[NH+](C)C)C1)CC(=O)[O-]	REAL300013972218	0	53	0.0	-72.96	384.74	8.25	-64.71
CC(C)C[C@H](CNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)CC(=O)[O-]	REAL300013972280	0	66	0.0	-70.99	452.94	9.50	-61.49
CC(C)C[C@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)CC(=O)[O-]	REAL300013972281	0	61	0.0	-70.58	427.75	5.65	-64.93
CC(C)C[C@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)CC(=O)[O-]	REAL300013972281	1	61	0.0	-67.41	425.26	5.42	-61.99
CSC1=CC=C(C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+](C)C)C=C1	REAL300013972299	0	60	0.0	-75.74	454.42	9.80	-65.94
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C2CC2)CC(C)C1)CC(=O)[O-]	REAL300013972302	0	57	0.0	-61.38	407.34	10.04	-51.34
CC(C)C[C@H](CNC(=O)N1CC[N@H+](C2CC2)CC(C)C1)CC(=O)[O-]	REAL300013972302	1	57	0.0	-69.60	403.98	10.35	-59.25
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)CC(=O)[O-]	REAL300013972366	0	63	0.0	-69.43	454.76	10.78	-58.65
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)CC(=O)[O-]	REAL300013972366	1	63	0.0	-70.39	458.65	10.49	-59.90
CC(C)C[C@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)CC(=O)[O-]	REAL300013972377	0	63	0.0	-71.23	441.40	9.46	-61.77
CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013972380	0	65	0.0	-70.34	468.54	9.97	-60.37
COC1CC[NH+](CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013972381	0	57	0.0	-72.67	416.68	6.05	-66.62
CC(C)C[C@H](CNC(=O)N1CC(C)C([NH+]2CCOCC2)C1)CC(=O)[O-]	REAL300013972383	1	58	0.0	-72.11	412.88	7.44	-64.67
CC(C)C[C@H](CNC(=O)N1CCC([NH+]2CCN(C)CC2)C(C)C1)CC(=O)[O-]	REAL300013972396	0	65	0.0	-74.03	445.11	8.47	-65.56
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)CC(=O)[O-]	REAL300013972400	0	63	0.0	-71.16	446.29	9.66	-61.50
CC[N@@H+]1CC(C)N(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1C	REAL300013972407	0	56	0.0	-64.90	391.44	9.33	-55.57
CC[N@H+]1CC(C)N(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1C	REAL300013972407	1	56	0.0	-62.90	394.40	9.01	-53.89
CC(C)C[C@H](CNC(=O)N1CC(C)[N@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013972418	0	63	0.0	-77.48	450.75	12.26	-65.22
CC(C)C[C@H](CNC(=O)N1CC(C)[N@@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013972418	1	63	0.0	-72.85	452.91	11.82	-61.03
CCCC1CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC[N@@H+]1CCOC	REAL300013972420	0	63	0.0	-77.11	447.69	9.19	-67.92
CCCC1CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC[N@H+]1CCOC	REAL300013972420	1	63	0.0	-66.44	444.50	9.10	-57.34
COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013972421	0	69	0.0	-78.30	495.46	10.65	-67.65
COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013972421	1	69	0.0	-80.34	495.55	10.67	-69.67
CC(C)C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)CC(=O)[O-]	REAL300013972422	0	62	0.0	-76.55	439.56	10.61	-65.94
CC(C)C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)CC(=O)[O-]	REAL300013972479	0	61	0.0	-72.65	435.21	8.90	-63.75
CC(C)C[C@H](CNC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)CC(=O)[O-]	REAL300013972489	0	62	0.0	-65.07	435.05	9.05	-56.02
CC(C)C[C@H](CNC(=O)NCC1CCC[N@@H+]1CCCO)CC(=O)[O-]	REAL300013972490	0	57	0.0	-68.37	413.20	3.98	-64.39
CC(C)C[C@H](CNC(=O)NCC1CCC[N@H+]1CCCO)CC(=O)[O-]	REAL300013972490	1	57	0.0	-66.20	422.45	4.97	-61.23
CC(C)C[C@H](CNC(=O)NC1CCC[N@H+](CCCO)C1)CC(=O)[O-]	REAL300013972495	0	57	0.0	-74.02	412.05	4.96	-69.06
CC(C)C[C@H](CNC(=O)NC1CCC[N@@H+](CCCO)C1)CC(=O)[O-]	REAL300013972495	1	57	0.0	-70.54	421.47	4.66	-65.88
CC(C)C[C@H](CNC(=O)NCC1C[N@H+](CC(C)C)CCO1)CC(=O)[O-]	REAL300013972529	0	60	0.0	-69.25	427.84	6.80	-62.45
CC(C)C[C@H](CNC(=O)NCC1C[N@@H+](CC(C)C)CCO1)CC(=O)[O-]	REAL300013972529	1	60	0.0	-72.31	434.90	6.93	-65.38
CC(C)C[C@H](CNC(=O)N1CC[N@H+](C)CC1C1=CC=CC=C1)CC(=O)[O-]	REAL300013972544	1	57	0.0	-73.27	403.69	9.91	-63.36
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)CC1C1=CC=CC=C1)CC(=O)[O-]	REAL300013972544	1	57	0.0	-80.56	416.18	10.39	-70.17
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013972552	0	59	0.0	-80.75	446.45	11.70	-69.05
CC(C)C[C@H](CNC(=O)NCC1=CC=C(C[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013972554	0	56	0.0	-78.15	422.66	8.79	-69.36
CC(C)C[C@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)CC(=O)[O-]	REAL300013972573	0	61	0.0	-65.27	432.67	9.13	-56.14
CC(C)C[C@H](CNC(=O)N1CCN(C2=CC=[NH+]C=C2)CC1)CC(=O)[O-]	REAL300013972594	0	53	0.0	-75.06	393.69	7.10	-67.96
CC(C)C[C@H](CNC(=O)NCCC[NH+]1CCCCC1)CC(=O)[O-]	REAL300013972599	0	56	0.0	-71.63	405.05	7.76	-63.87
CC(C)C[C@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)CC(=O)[O-]	REAL300013972601	0	59	0.0	-72.32	425.89	8.36	-63.96
CC(C)C[C@H](CNC(=O)NCCC[N@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013972605	0	59	0.0	-72.06	445.97	9.72	-62.34
CC(C)C[C@H](CNC(=O)NCCC[N@@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300013972605	1	59	0.0	-71.95	445.92	9.72	-62.23
CC[NH+](CC)CC1=CC=C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300013972618	0	62	0.0	-76.02	458.79	10.14	-65.88
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013972623	0	62	0.0	-58.90	452.87	10.25	-48.65
CC(C)C[C@H](CNC(=O)NCC1=CC=C(C[NH+]2CCCCC2)C=C1)CC(=O)[O-]	REAL300013972624	0	63	0.0	-76.76	464.24	10.60	-66.16
CC(C)C[C@H](CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCC1)CC(=O)[O-]	REAL300013972658	0	60	0.0	-56.59	441.69	10.11	-46.48
CC(C)C[C@H](CNC(=O)N1CC[NH+](CCC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013972698	1	60	0.0	-75.70	438.51	11.50	-64.20
CC(C)C[C@H](CNC(=O)N1CCC[N@H+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013972702	0	60	0.0	-71.55	430.59	11.93	-59.62
CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013972702	1	60	0.0	-73.92	430.48	11.95	-61.97
CC1=CC=C(C[N@H+]2CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)C=C1	REAL300013972703	0	63	0.0	-65.89	452.13	12.60	-53.29
CC1=CC=C(C[N@@H+]2CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)C=C1	REAL300013972703	1	63	0.0	-73.79	451.81	12.62	-61.17
COCC[NH+]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013972708	1	54	0.0	-70.56	390.14	6.95	-63.61
CC(C)C[C@H](CNC(=O)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1)CC(=O)[O-]	REAL300013972716	1	60	0.0	-70.11	437.10	11.98	-58.13
CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1)CC(=O)[O-]	REAL300013972716	1	60	0.0	-76.91	442.31	12.18	-64.73
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CCOCC2)[NH+]=C1)CC(=O)[O-]	REAL300013972730	1	57	0.0	-64.23	432.28	5.57	-58.66
CC(C)C[C@H](CNC(=O)NCC(C)(C)[NH+]1CC(C)OC(C)C1)CC(=O)[O-]	REAL300013972732	1	63	0.0	-66.35	434.79	7.25	-59.10
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)CC(=O)[O-]	REAL300013972752	0	54	0.0	-68.98	394.79	7.79	-61.19
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)N=C1)CC(=O)[O-]	REAL300013972756	0	61	0.0	-78.01	454.20	7.35	-70.66
CC(C)C[C@H](CNC(=O)NCCC[NH+]1CC(C)OC(C)C1)CC(=O)[O-]	REAL300013972764	0	60	0.0	-71.47	444.04	7.05	-64.42
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)CC(=O)[O-]	REAL300013972768	0	59	0.0	-67.96	427.17	8.64	-59.32
CC(C)C[C@H](CNC(=O)NCC(C(C)C)[NH+]1CCOCC1)CC(=O)[O-]	REAL300013972773	1	60	0.0	-65.66	422.77	7.37	-58.29
CC(C)C[C@H](CNC(=O)NCC1=CC=[NH+]C(N2CCCCC2)=C1)CC(=O)[O-]	REAL300013972774	1	59	0.0	-63.07	441.28	8.03	-55.04
CC(C)C[C@H](CNC(=O)NCC1=CC=[NH+]C(N2CCCC2)=C1)CC(=O)[O-]	REAL300013972776	1	56	0.0	-63.52	426.38	7.10	-56.42
CCC(CC)C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+]1CCOCC1	REAL300013972780	0	66	0.0	-63.42	453.51	8.70	-54.72
CC(C)C[C@H](CNC(=O)NCC(C(C)C)[NH+]1CCN(C)CC1)CC(=O)[O-]	REAL300013972784	0	64	0.0	-63.33	449.43	7.33	-56.00
CC(C)C[C@H](CNC(=O)NCC(C(C)C)N1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013972784	1	64	0.0	-69.10	447.55	7.73	-61.37
CC[NH+](CC)C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC(C)C	REAL300013972785	0	64	0.0	-65.56	440.02	8.86	-56.70
CC(C)C[C@H](CNC(=O)N(CC1=CC=CO1)C1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013972789	0	60	0.0	-70.34	438.56	10.58	-59.76
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CC=C1)[NH+]1CCCC1)CC(=O)[O-]	REAL300013972795	0	60	0.0	-68.28	440.99	10.00	-58.28
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)CC(=O)[O-]	REAL300013972819	0	58	0.0	-73.49	422.71	10.14	-63.35
CC(C)C[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)CC(=O)[O-]	REAL300013972822	0	60	0.0	-69.43	412.19	9.90	-59.53
CC(C)C[C@H](CNC(=O)N1CC[NH+](C2CCCC2)CC1)CC(=O)[O-]	REAL300013972829	0	57	0.0	-74.89	401.23	9.57	-65.32
CC(C)C[C@H](CNC(=O)N1CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300013972830	0	53	0.0	-74.10	376.35	8.20	-65.90
CC(C)C[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)CC(=O)[O-]	REAL300013972834	0	57	0.0	-65.67	406.59	9.61	-56.06
CC[NH+](CC)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013972844	0	52	0.0	-67.45	373.40	6.25	-61.20
CC(C)C[C@H](CNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013972851	1	57	0.0	-75.83	422.08	10.89	-64.94
CC(C)C[C@H](CNC(=O)NCCC[NH+]1CCOCC1)CC(=O)[O-]	REAL300013972864	1	54	0.0	-71.16	402.16	5.60	-65.56
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013972879	1	66	0.0	-70.19	473.92	10.76	-59.43
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013972879	1	66	0.0	-70.48	474.11	10.66	-59.82
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013972880	0	63	0.0	-71.11	452.59	12.75	-58.36
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013972880	1	63	0.0	-69.43	452.33	12.77	-56.66
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CCC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013972885	0	63	0.0	-72.73	469.40	10.96	-61.77
CC(C)C[C@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)CC(=O)[O-]	REAL300013972886	0	61	0.0	-70.50	442.99	6.14	-64.36
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CCN(C)C)CC1)CC(=O)[O-]	REAL300013972886	1	61	0.0	-71.18	438.59	5.85	-65.33
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC2=CC=CC=N2)CC1)CC(=O)[O-]	REAL300013972887	0	59	0.0	-71.47	437.63	8.17	-63.30
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013972888	0	63	0.0	-73.20	457.60	10.62	-62.58
CC(C)C[C@H](CNC(=O)NCC1=CC=CC=C1C[N@H+](C)C(C)C)CC(=O)[O-]	REAL300013972890	0	62	0.0	-58.44	452.10	10.81	-47.63
CC(C)C[C@H](CNC(=O)NCC1=CC=CC=C1C[N@@H+](C)C(C)C)CC(=O)[O-]	REAL300013972890	1	62	0.0	-58.65	450.79	10.19	-48.46
CC(C)C[C@H](CNC(=O)NCC1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013972891	0	60	0.0	-77.83	452.54	8.56	-69.27
CC(C)C[C@H](CNC(=O)NCC1=CC=CC(OCC[NH+](C)C)=C1)CC(=O)[O-]	REAL300013972892	0	60	0.0	-74.15	452.55	8.57	-65.58
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CCC(C)CC2)[NH+]=C1)CC(=O)[O-]	REAL300013972897	1	62	0.0	-62.39	462.05	8.60	-53.79
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CCCC2)[NH+]=C1)CC(=O)[O-]	REAL300013972898	1	56	0.0	-61.78	425.97	7.05	-54.73
CC(C)C[C@H](CNC(=O)NCC1=CC=[NH+]C(N2CCOCC2)=C1)CC(=O)[O-]	REAL300013972899	1	57	0.0	-68.40	426.91	5.42	-62.98
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013972903	0	60	0.0	-70.74	442.04	10.01	-60.73
CC[NH+](CC)CCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013972928	0	55	0.0	-67.88	400.52	7.21	-60.67
CCN(CC)C1=CC=C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=[NH+]1	REAL300013972944	1	58	0.0	-60.58	443.20	9.12	-51.46
CC(C)C[C@H](CNC(=O)NCC1=CC=NC(N2CC[NH+](C)CC2)=C1)CC(=O)[O-]	REAL300013972945	0	61	0.0	-72.82	454.27	7.31	-65.51
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CCCCCC2)[NH+]=C1)CC(=O)[O-]	REAL300013972946	1	62	0.0	-64.77	447.13	8.14	-56.63
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CCOC(C)C2)[NH+]=C1)CC(=O)[O-]	REAL300013972947	1	60	0.0	-63.95	453.23	6.11	-57.84
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CCCCC2)[NH+]=C1)CC(=O)[O-]	REAL300013972948	1	59	0.0	-63.63	435.56	7.62	-56.01
CC(C)C[C@H](CNC(=O)NCC1=CC=C[NH+]=C1N1CCOCC1)CC(=O)[O-]	REAL300013972972	1	57	0.0	-74.34	429.60	5.67	-68.67
CC(C)C[C@H](CNC(=O)NCC1=CC=CC(C[NH+]2CCCC2)=C1)CC(=O)[O-]	REAL300013972973	0	60	0.0	-71.22	446.93	9.88	-61.34
CC[NH+](CC)CC1=CC=CC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300013972974	0	62	0.0	-69.94	452.51	9.83	-60.11
CC(C)C[C@H](CNC(=O)N(CCC1=CC=CC=C1)CC[NH+](C)C)CC(=O)[O-]	REAL300013972985	0	62	0.0	-64.15	468.61	12.53	-51.62
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC1=CC=C(C#N)C=C1)CC(=O)[O-]	REAL300013972986	0	60	0.0	-79.05	461.34	11.94	-67.11
CC(C)C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013973026	1	57	0.0	-89.19	422.10	5.97	-83.22
CC[NH+](CC)C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1=CSC=C1	REAL300013973029	0	59	0.0	-62.40	432.15	8.57	-53.83
CC(C)C[C@H](CNC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1)CC(=O)[O-]	REAL300013973030	0	65	0.0	-66.38	447.91	10.19	-56.19
CC[NH+](CC)C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1=CC=CC=C1	REAL300013973032	0	65	0.0	-59.99	452.33	10.25	-49.74
CC[NH+](CC)C(C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013973033	0	55	0.0	-66.64	388.18	7.08	-59.56
CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013973034	0	57	0.0	-73.74	422.21	9.17	-64.57
CC(C)C[C@H](CNC(=O)NCC[N@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013973034	1	57	0.0	-73.79	422.18	9.19	-64.60
CC(C)C[C@H](CNC(=O)NCC1=CC=[NH+]C(N(C)C)=C1)CC(=O)[O-]	REAL300013973036	0	52	0.0	-66.18	394.22	7.06	-59.12
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N(C)C)[NH+]=C1)CC(=O)[O-]	REAL300013973037	1	52	0.0	-63.10	393.51	7.00	-56.10
CCC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013973038	0	63	0.0	-69.93	447.33	11.16	-58.77
CCC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300013973038	1	63	0.0	-67.60	447.39	11.11	-56.49
CC(C)C[C@H](CNC(=O)NCC(C1CCCCC1)[NH+](C)C)CC(=O)[O-]	REAL300013973039	0	62	0.0	-66.59	425.61	9.52	-57.07
CC(C)C[C@H](CNC(=O)NCC(C1=CSC=C1)[NH+](C)C)CC(=O)[O-]	REAL300013973041	0	53	0.0	-70.42	403.98	7.71	-62.71
CC(C)C[C@H](CNC(=O)NCC(C)[N@@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013973042	0	59	0.0	-65.55	415.24	8.23	-57.32
CC(C)C[C@H](CNC(=O)NCC(C)[N@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013973042	1	59	0.0	-65.01	416.43	8.57	-56.44
CC(C)C[C@H](CNC(=O)NCC[NH+]1CCC(C)CC1)CC(=O)[O-]	REAL300013973043	0	56	0.0	-69.63	404.38	7.62	-62.01
CC(C)C[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)CC(=O)[O-]	REAL300013973044	0	62	0.0	-72.72	439.90	8.96	-63.76
CC(C)C[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)CC(=O)[O-]	REAL300013973044	1	62	0.0	-72.34	439.90	8.95	-63.39
CC(C)C[C@H](CNC(=O)NCCC[NH+]1CC(C)CC(C)C1)CC(=O)[O-]	REAL300013973046	0	62	0.0	-71.97	447.17	8.97	-63.00
CC(C)C[C@H](CNC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013973047	0	60	0.0	-75.92	443.70	9.92	-66.00
CC(C)C[C@H](CNC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013973047	1	60	0.0	-76.06	443.70	9.92	-66.14
CC(C)C[C@H](CNC(=O)NC(C)C[NH+]1CCCCC1)CC(=O)[O-]	REAL300013973049	0	56	0.0	-65.66	402.79	8.31	-57.35
CC(C)C[C@H](CNC(=O)NC(C[NH+]1CCCC1)C1=CC=CC=C1)CC(=O)[O-]	REAL300013973050	0	60	0.0	-72.55	439.93	11.30	-61.25
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CC=C1)[NH+](C)C)CC(=O)[O-]	REAL300013973053	0	56	0.0	-72.08	414.16	8.80	-63.28
CC(C)C[C@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)CC(=O)[O-]	REAL300013973054	0	58	0.0	-63.38	408.31	7.34	-56.04
CC(C)C[C@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)CC(=O)[O-]	REAL300013973078	0	61	0.0	-78.31	429.31	8.69	-69.62
CC(C)C[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)CC(=O)[O-]	REAL300013973079	0	56	0.0	-81.03	401.74	9.43	-71.60
CC(C)C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)CC(=O)[O-]	REAL300013973125	0	59	0.0	-66.00	397.63	8.69	-57.31
CC(C)C[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)CC(=O)[O-]	REAL300013973126	0	62	0.0	-69.43	452.79	9.38	-60.05
CC(C)C[C@H](CNC(=O)NCCCC[N@@H+]1CCCCC1C)CC(=O)[O-]	REAL300013973127	0	62	0.0	-67.55	442.32	8.95	-58.60
CC(C)C[C@H](CNC(=O)NCCCC[N@H+]1CCCCC1C)CC(=O)[O-]	REAL300013973127	1	62	0.0	-71.09	443.67	9.04	-62.05
CC(C)C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013973128	0	62	0.0	-73.00	447.85	9.15	-63.85
CC(C)C[C@H](CNC(=O)NCCCC[N@H+]1CCCC(C)C1)CC(=O)[O-]	REAL300013973128	1	62	0.0	-68.94	453.24	9.36	-59.58
CCN1CC[NH+](CCCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013973129	0	64	0.0	-74.13	461.60	6.78	-67.35
CC[NH+]1CCN(CCCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013973129	1	64	0.0	-68.60	465.84	6.88	-61.72
CC(C)C[C@H](CNC(=O)NCCCC[NH+]1CC(C)CC(C)C1)CC(=O)[O-]	REAL300013973131	0	65	0.0	-73.39	468.66	9.75	-63.64
CCCNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013973150	1	63	0.0	-72.17	463.47	6.36	-65.81
CC(C)C[C@H](CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)CC(=O)[O-]	REAL300013973151	1	64	0.0	-91.09	453.17	9.01	-82.08
C=CC[NH+](CC=C)C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C	REAL300013973165	0	63	0.0	-65.20	443.74	9.95	-55.25
CC(C)C[C@H](CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)CC(=O)[O-]	REAL300013973167	0	66	0.0	-62.31	444.50	10.61	-51.70
COC1=CC=C(C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+](C)C)C=C1	REAL300013973168	0	60	0.0	-75.27	443.72	8.08	-67.19
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1)CC(=O)[O-]	REAL300013973185	0	60	0.0	-66.39	434.14	8.77	-57.62
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CO1)[NH+](C)C)CC(=O)[O-]	REAL300013973186	1	53	0.0	-65.63	397.30	7.06	-58.57
CC(C)C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)CC(=O)[O-]	REAL300013973190	0	64	0.0	-64.87	434.22	7.30	-57.57
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CS1)[NH+](C)C)CC(=O)[O-]	REAL300013973196	0	53	0.0	-67.41	412.53	8.08	-59.33
CC(C)C[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)CC(=O)[O-]	REAL300013973197	0	56	0.0	-64.95	391.51	7.51	-57.44
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1)CC(=O)[O-]	REAL300013973230	0	57	0.0	-67.65	416.97	8.07	-59.58
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300013973231	0	56	0.0	-69.02	396.14	7.39	-61.63
CC(C)C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)CC(=O)[O-]	REAL300013973239	0	59	0.0	-64.66	407.87	8.07	-56.59
CC(C)C[C@H](CNC(=O)NCC(CC1=CC=CC=C1)[NH+](C)C)CC(=O)[O-]	REAL300013973247	0	59	0.0	-64.69	423.97	10.15	-54.54
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CC(F)=C1)[NH+](C)C)CC(=O)[O-]	REAL300013973250	0	56	0.0	-71.24	420.08	8.86	-62.38
CCC1=CC=C(C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+](C)C)C=C1	REAL300013973251	0	62	0.0	-72.30	457.13	10.21	-62.09
CC[NH+](CC)C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1=CC=CC=C1	REAL300013973253	0	62	0.0	-68.67	435.76	10.19	-58.48
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1)CC(=O)[O-]	REAL300013973254	0	57	0.0	-64.10	421.98	8.52	-55.58
CC(C)C[C@H](CNC(=O)N1CC[NH+](CC(C)C)CC1)CC(=O)[O-]	REAL300013973278	0	56	0.0	-74.32	401.93	9.39	-64.93
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013973282	0	57	0.0	-70.32	430.97	9.56	-60.76
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013973282	1	57	0.0	-70.81	431.12	9.53	-61.28
CC[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013973285	0	53	0.0	-70.00	383.14	7.05	-62.95
CC(C)C[C@H](CNC(=O)N1CC[NH+](CC2CCCO2)CC1)CC(=O)[O-]	REAL300013973288	1	58	0.0	-73.03	419.30	8.36	-64.67
CC(C)C[C@H](CNC(=O)NCC(C1=CC=CC=C1Cl)[NH+](C)C)CC(=O)[O-]	REAL300013973294	1	56	0.0	-64.02	427.10	9.65	-54.37
CC1=CC=CC(C[NH+]2CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)=C1	REAL300013973296	1	60	0.0	-74.04	437.49	11.29	-62.75
CC1=CC=CC=C1C[NH+]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013973305	1	60	0.0	-73.08	438.00	11.56	-61.52
CC(C)C[C@H](CNC(=O)NCC1=CC=CC(C[NH+](C)C)=C1)CC(=O)[O-]	REAL300013973322	0	56	0.0	-72.51	422.69	8.74	-63.77
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+]2CCCC2C1)CC(=O)[O-]	REAL300013973333	0	54	0.0	-63.80	390.64	7.91	-55.89
CC(C)C[C@H](CNC(=O)NC1CC[N@H+]2CCCC2C1)CC(=O)[O-]	REAL300013973333	1	54	0.0	-65.46	390.52	7.93	-57.53
CC(C)C[C@H](CNC(=O)NCC1CC[N@@H+](C2CC2)C1)CC(=O)[O-]	REAL300013973343	0	54	0.0	-70.20	399.18	7.69	-62.51
CC(C)C[C@H](CNC(=O)NCC1CC[N@H+](C2CC2)C1)CC(=O)[O-]	REAL300013973343	1	54	0.0	-68.47	399.04	7.75	-60.72
CC(C)C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)CC(=O)[O-]	REAL300013973361	0	62	0.0	-63.66	415.01	8.78	-54.88
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013973374	0	62	0.0	-74.91	467.22	11.89	-63.02
COCC[N@H+](C)CCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013973385	0	56	0.0	-71.67	413.99	5.77	-65.90
COCC[N@@H+](C)CCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013973385	1	56	0.0	-72.63	414.19	5.75	-66.88
CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013973396	0	64	0.0	-69.88	457.99	11.48	-58.40
CC(C)CC(C[NH+](C)C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013973398	0	58	0.0	-66.40	423.02	8.44	-57.96
CC(C)C[C@H](CNC(=O)N(C)CC1CCC[N@@H+]1C)CC(=O)[O-]	REAL300013973410	0	53	0.0	-64.29	381.68	9.25	-55.04
CC(C)C[C@H](CNC(=O)N(C)CC1CCC[N@H+]1C)CC(=O)[O-]	REAL300013973410	1	53	0.0	-70.78	385.10	8.89	-61.89
CC(C)C[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)CC(=O)[O-]	REAL300013973416	0	56	0.0	-72.89	395.47	7.99	-64.90
COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013973433	0	60	0.0	-73.46	424.09	7.85	-65.61
CC(C)C[C@H](CNC(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1)CC(=O)[O-]	REAL300013973459	0	61	0.0	-73.19	444.27	11.34	-61.85
CC(C)C[C@H](CNC(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1)CC(=O)[O-]	REAL300013973459	1	61	0.0	-70.86	440.09	11.05	-59.81
CC(C)C[C@H](CNC(=O)NCC(C)N1C[C@@H](C)O[C@@H](C)C1)CC(=O)[O-]	REAL300013973481	0	60	0.0	-67.20	428.17	6.75	-60.45
CC(C)C[C@H](CNC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC(=O)[O-]	REAL300013973481	1	60	0.0	-67.83	425.64	6.69	-61.14
CC(C)C[C@H](CNC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC(=O)[O-]	REAL300013973481	1	60	0.0	-67.83	425.64	6.69	-61.14
CC(C)C[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CC(=O)[O-]	REAL300013973482	0	53	0.0	-68.88	397.03	7.31	-61.57
CCC(C)(C)[NH+]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013973492	0	59	0.0	-67.25	401.10	8.93	-58.32
CC(C)C[C@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)CC(=O)[O-]	REAL300013973500	0	52	0.0	-74.55	377.29	4.52	-70.03
CC(C)C[C@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)CC(=O)[O-]	REAL300013973500	1	52	0.0	-74.55	377.29	4.52	-70.03
CC(C)C[C@H](CNC(=O)NCCC[N@H+](C)CC(C)C)CC(=O)[O-]	REAL300013973502	0	58	0.0	-72.27	420.52	8.03	-64.24
CC(C)C[C@H](CNC(=O)NCCC[N@@H+](C)CC(C)C)CC(=O)[O-]	REAL300013973502	1	58	0.0	-72.27	420.52	8.03	-64.24
CC[N@H+](CCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CCCCC1	REAL300013973527	0	65	0.0	-71.11	453.02	9.32	-61.79
CC[N@@H+](CCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CCCCC1	REAL300013973527	1	65	0.0	-71.11	453.02	9.32	-61.79
CC(C)C[C@H](CNC(=O)N1CCN(C)CC1CC1=CC=CC=C1)CC(=O)[O-]	REAL300013973528	0	60	0.0	-84.88	435.89	11.95	-72.93
CC(C)C[C@H](CNC(=O)N1CC[N@H+](C)CC1CC1=CC=CC=C1)CC(=O)[O-]	REAL300013973528	1	60	0.0	-73.95	441.35	12.15	-61.80
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)CC1CC1=CC=CC=C1)CC(=O)[O-]	REAL300013973528	1	60	0.0	-73.95	441.35	12.15	-61.80
CC(C)C[C@H](CNC(=O)NC1CCC[N@@H+]2CCCCC12)CC(=O)[O-]	REAL300013973553	0	57	0.0	-69.57	400.75	8.90	-60.67
CC(C)C[C@H](CNC(=O)NC1CCC[N@H+]2CCCCC12)CC(=O)[O-]	REAL300013973553	1	57	0.0	-69.57	400.75	8.90	-60.67
CC(C)C[C@H](CNC(=O)N(C)CC[NH+]1CCCCC1)CC(=O)[O-]	REAL300013973557	0	56	0.0	-64.79	401.02	9.40	-55.39
CC(C)C[C@H](CNC(=O)N1CCN(CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013973569	0	57	0.0	-75.83	422.08	10.89	-64.94
CC(C)C[C@H](CNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013973569	1	57	0.0	-75.83	422.08	10.89	-64.94
CC(C)C[C@H](CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC(=O)[O-]	REAL300013973626	0	59	0.0	-83.11	438.56	8.36	-74.75
CC(C)C[C@H](CNC(=O)N1CCC([N@H+](C)CCC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013973632	0	63	0.0	-78.04	463.80	11.87	-66.17
CC(C)C[C@H](CNC(=O)N1CCC([N@@H+](C)CCC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013973632	1	63	0.0	-78.04	463.80	11.87	-66.17
CC(C)C[C@H](CNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1)CC(=O)[O-]	REAL300013973635	0	62	0.0	-78.42	461.94	9.05	-69.37
CC(C)C[C@H](CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1)CC(=O)[O-]	REAL300013973658	0	64	0.0	-76.65	452.60	7.70	-68.95
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](C(C)(C)C)C1)CC(=O)[O-]	REAL300013973675	0	56	0.0	-64.22	401.89	7.33	-56.89
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](C(C)(C)C)C1)CC(=O)[O-]	REAL300013973675	1	56	0.0	-64.22	401.89	7.33	-56.89
CC(C)C[C@H](CNC(=O)NCC1=CC=CN=C1N1CCCC1)CC(=O)[O-]	REAL300013973686	0	56	0.0	-70.41	408.99	7.98	-62.43
CC(C)C[C@H](CNC(=O)NCC1=CC=C[NH+]=C1N1CCCC1)CC(=O)[O-]	REAL300013973686	1	56	0.0	-70.41	408.99	7.98	-62.43
CC(C)C[C@H](CNC(=O)NCCC1CCC[N@@H+]1C)CC(=O)[O-]	REAL300013973715	0	53	0.0	-65.10	388.96	7.08	-58.02
CC(C)C[C@H](CNC(=O)NCCC1CCC[N@H+]1C)CC(=O)[O-]	REAL300013973715	1	53	0.0	-65.10	388.96	7.08	-58.02
CC(C)C[C@H](CNC(=O)NC(C)C[NH+]1CCC(C)CC1)CC(=O)[O-]	REAL300013973719	0	59	0.0	-65.76	429.00	9.10	-56.66
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](C2CCCCC2)C1)CC(=O)[O-]	REAL300013973806	0	60	0.0	-68.39	425.23	8.64	-59.75
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](C2CCCCC2)C1)CC(=O)[O-]	REAL300013973806	1	60	0.0	-68.39	425.23	8.64	-59.75
CC(C)C[C@H](CNC(=O)NCC1CC[NH+](CC2CC2)CC1)CC(=O)[O-]	REAL300013973833	0	60	0.0	-69.61	439.96	9.51	-60.10
CC(C)C[C@H](CNC(=O)N1CCOC(CCC[NH+](C)C)C1)CC(=O)[O-]	REAL300013973840	0	60	0.0	-75.89	439.25	8.70	-67.19
CCC[N@@H+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013973852	0	53	0.0	-67.91	393.14	7.34	-60.57
CCC[N@H+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013973852	1	53	0.0	-67.91	393.14	7.34	-60.57
CC(C)C[C@H](CNC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)CC(=O)[O-]	REAL300013973854	0	62	0.0	-69.82	440.02	7.77	-62.05
CC(C)C[C@H](CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)CC(=O)[O-]	REAL300013973854	1	62	0.0	-69.82	440.02	7.77	-62.05
CC(C)C[C@H](CNC(=O)NC1CC[NH+](C2CCOC2)CC1)CC(=O)[O-]	REAL300013973861	0	58	0.0	-70.85	421.96	6.53	-64.32
CC(C)C[C@H](CNC(=O)NCCC1CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300013973934	0	62	0.0	-70.18	436.29	8.57	-61.61
CC(C)C[C@H](CNC(=O)NCC1=CC=NC(N2CCSCC2)=C1)CC(=O)[O-]	REAL300013973943	0	57	0.0	-70.26	436.69	7.47	-62.79
CC(C)C[C@H](CNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1)CC(=O)[O-]	REAL300013973943	1	57	0.0	-70.26	436.69	7.47	-62.79
CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)CC(=O)[O-]	REAL300013973967	0	51	0.0	-69.72	378.47	2.92	-66.80
CCC1([NH+](C)C)CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013973992	0	59	0.0	-75.88	388.09	8.89	-66.99
CC(C)C[C@H](CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)CC(=O)[O-]	REAL300013974007	0	60	0.0	-73.15	412.23	9.60	-63.55
CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013974015	0	63	0.0	-70.02	420.80	10.11	-59.91
CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)CC(=O)[O-]	REAL300013974020	0	51	0.0	-68.37	384.15	3.11	-65.26
CC(C)C[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)CC(=O)[O-]	REAL300013974020	1	51	0.0	-70.53	378.14	2.90	-67.63
COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013974026	0	63	0.0	-70.32	451.68	9.15	-61.17
CC(C)C[C@H](CNC(=O)N1CCC2(CC1)CC[NH+](C)CC2)CC(=O)[O-]	REAL300013974029	0	60	0.0	-80.42	414.85	9.79	-70.63
CC(C)C[C@H](CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)CC(=O)[O-]	REAL300013974032	0	61	0.0	-73.39	412.55	7.65	-65.74
CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)CC(=O)[O-]	REAL300013974037	0	57	0.0	-70.08	411.07	4.88	-65.20
CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)CC(=O)[O-]	REAL300013974037	1	57	0.0	-71.20	412.59	4.92	-66.28
CC(C)C[C@H](CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013974049	0	63	0.0	-72.16	461.56	10.29	-61.87
CC(C)C[C@H](CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013974049	1	63	0.0	-69.11	467.34	10.42	-58.69
CC(C)C[C@H](CNC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)CC(=O)[O-]	REAL300013974075	0	57	0.0	-86.40	420.97	7.56	-78.84
CC(C)C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300013974146	0	63	0.0	-67.17	454.90	10.90	-56.27
CC(C)C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300013974146	1	63	0.0	-67.00	446.00	10.18	-56.82
CC(C)C[C@H](CNC(=O)N1CCC2C(CC[N@@H+]2C)C1)CC(=O)[O-]	REAL300013974147	0	54	0.0	-68.15	383.81	8.48	-59.67
CC(C)C[C@H](CNC(=O)N1CCC2C(CC[N@H+]2C)C1)CC(=O)[O-]	REAL300013974147	1	54	0.0	-78.99	388.86	8.76	-70.23
CC(C)C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300013974155	0	63	0.0	-63.91	451.41	10.39	-53.52
CC(C)C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300013974155	1	63	0.0	-68.48	454.80	10.87	-57.61
CC(C)C[C@H](CNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)CC(=O)[O-]	REAL300013974157	0	62	0.0	-69.11	432.37	7.60	-61.51
CC(C)C[C@H](CNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)CC(=O)[O-]	REAL300013974157	1	62	0.0	-75.76	435.00	7.68	-68.08
CC(C)C[C@H](CNC(=O)NCC1C2=CC=CC=C2C[N@H+]1C)CC(=O)[O-]	REAL300013974160	1	54	0.0	-70.76	404.85	8.29	-62.47
CC(C)C[C@H](CNC(=O)NCC1C2=CC=CC=C2C[N@@H+]1C)CC(=O)[O-]	REAL300013974160	1	54	0.0	-69.05	398.36	8.06	-60.99
CC(C)C[C@H](CNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)CC(=O)[O-]	REAL300013974166	0	56	0.0	-65.70	393.46	8.94	-56.76
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)CC(=O)[O-]	REAL300013974166	1	56	0.0	-75.73	390.96	8.64	-67.09
CC(C)C[C@H](CNC(=O)NC1CCC(C)([NH+](C)C)CC1)CC(=O)[O-]	REAL300013974176	0	59	0.0	-75.77	400.67	7.95	-67.82
CC1=CC=C(C[N@H+]2CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C2)C=C1	REAL300013974191	0	60	0.0	-70.28	452.42	10.23	-60.05
CC1=CC=C(C[N@@H+]2CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C2)C=C1	REAL300013974191	1	60	0.0	-73.81	447.34	10.02	-63.79
CC(C)C[C@H](CNC(=O)N(CC(C)C)CC1CC[NH+](C)CC1)CC(=O)[O-]	REAL300013974209	0	65	0.0	-66.34	457.83	11.41	-54.93
CC(C)C[C@H](CNC(=O)N1CCN(C)C2=[NH+]C=CC=C2C1)CC(=O)[O-]	REAL300013974223	1	53	0.0	-64.32	392.02	8.19	-56.13
CC(C)C[C@H](CNC(=O)N(C)CCCC[NH+]1CCCCC1)CC(=O)[O-]	REAL300013974244	0	62	0.0	-66.93	449.23	11.13	-55.80
CC(C)C[C@H](CNC(=O)NC1CCC[N@H+](CCN2CCOCC2)C1)CC(=O)[O-]	REAL300013974246	0	66	0.0	-75.75	467.44	6.07	-69.68
CC(C)C[C@H](CNC(=O)NC1CCC[N@@H+](CCN2CCOCC2)C1)CC(=O)[O-]	REAL300013974246	1	66	0.0	-73.61	471.48	5.47	-68.14
CCC1=CC=C(C[NH+]2CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)C=C1	REAL300013974265	1	63	0.0	-74.04	458.97	12.07	-61.97
CC(C)C[C@H](CNC(=O)NCC1=CC=C(N2CC[NH+](C)CC2)C=C1)CC(=O)[O-]	REAL300013974268	0	62	0.0	-80.19	456.42	7.97	-72.22
CC(C)C[C@H](CNC(=O)N1CC[NH+](C(C)C2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013974271	1	60	0.0	-72.92	437.00	11.50	-61.42
CC(C)C[C@H](CNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)CC(=O)[O-]	REAL300013974272	0	64	0.0	-80.09	440.38	6.76	-73.33
CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013974279	0	66	0.0	-73.57	434.99	10.82	-62.75
CC(C)C[C@H](CNC(=O)N1CC[N@H+](C)C(C)(C)C1)CC(=O)[O-]	REAL300013974291	0	53	0.0	-76.73	373.78	8.35	-68.38
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)C1)CC(=O)[O-]	REAL300013974291	1	53	0.0	-65.50	373.52	8.34	-57.16
CC(C)C[C@H](CNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CC(=O)[O-]	REAL300013974296	0	67	0.0	-80.71	477.31	10.38	-70.33
CC(C)C[C@H](CNC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CC(=O)[O-]	REAL300013974296	1	67	0.0	-79.79	465.47	10.25	-69.54
CC(C)C[C@H](CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)CC(=O)[O-]	REAL300013974373	0	63	0.0	-70.64	421.47	10.08	-60.56
CCOC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C[NH+](C)C	REAL300013974409	0	56	0.0	-74.66	411.90	6.26	-68.40
CC[N@@H+]1CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCOCC1	REAL300013974449	0	60	0.0	-62.31	423.67	8.54	-53.77
CC[N@H+]1CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCOCC1	REAL300013974449	1	60	0.0	-69.25	417.68	8.37	-60.88
CC(C)C[C@H](CNC(=O)NCC1CC(O)C[N@@H+]1C)CC(=O)[O-]	REAL300013974455	0	51	0.0	-71.79	372.54	2.49	-69.30
CC(C)C[C@H](CNC(=O)NCC1CC(O)C[N@H+]1C)CC(=O)[O-]	REAL300013974455	1	51	0.0	-74.18	372.21	2.49	-71.69
CC(C)C[C@H](CNC(=O)NC1CCC[N@@H+]2CCSCC12)CC(=O)[O-]	REAL300013974460	0	55	0.0	-75.76	400.26	8.67	-67.09
CC(C)C[C@H](CNC(=O)NC1CCC[N@H+]2CCSCC12)CC(=O)[O-]	REAL300013974460	1	55	0.0	-72.93	404.27	8.05	-64.88
CC(C)C[C@H](CNC(=O)NCC1=CC(N(C)C)=CC=[NH+]1)CC(=O)[O-]	REAL300013974493	0	52	0.0	-60.31	400.79	6.06	-54.25
CC(C)C[C@H](CNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1)CC(=O)[O-]	REAL300013974522	0	63	0.0	-72.24	427.08	9.10	-63.14
CCC1([NH+]2CCC2)CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013974527	0	60	0.0	-72.20	406.80	9.54	-62.66
CC(C)C[C@H](CNC(=O)N1CCN(C2=CC=[NH+]C=C2)CC1C)CC(=O)[O-]	REAL300013974546	0	56	0.0	-78.32	407.86	7.59	-70.73
CC(C)C[C@H](CNC(=O)NC(CC[NH+](C)C)C1=CC=CN=C1)CC(=O)[O-]	REAL300013974565	0	58	0.0	-73.74	442.64	8.61	-65.13
CC1=CC=C(NCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+]=C1	REAL300013974592	1	52	0.0	-66.77	398.86	5.98	-60.79
CC1=CC=CC(NCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)=[NH+]1	REAL300013974593	1	52	0.0	-65.68	398.79	5.97	-59.71
CC(C)C[C@H](CNC(=O)N1CC[N@H+](C)CC1CC(C)C)CC(=O)[O-]	REAL300013974607	0	59	0.0	-69.38	416.80	9.65	-59.73
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)CC1CC(C)C)CC(=O)[O-]	REAL300013974607	1	59	0.0	-70.75	412.65	10.25	-60.50
CC(C)C[C@H](CNC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)CC(=O)[O-]	REAL300013974640	0	54	0.0	-69.03	387.52	8.13	-60.90
CC(C)C[C@H](CNC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)CC(=O)[O-]	REAL300013974640	1	54	0.0	-79.85	387.04	8.28	-71.57
CC(C)C[C@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)CC(=O)[O-]	REAL300013974724	0	60	0.0	-73.47	411.99	8.50	-64.97
CC[NH+](CC)CC(CC)(CC)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013974727	0	64	0.0	-74.93	430.07	10.34	-64.59
CC(C)C[C@H](CNC(=O)NC1CCC2C[N@H+](C)CC2C1)CC(=O)[O-]	REAL300013974763	0	57	0.0	-77.04	408.71	7.89	-69.15
CC(C)C[C@H](CNC(=O)NC1CCC2C[N@@H+](C)CC2C1)CC(=O)[O-]	REAL300013974763	1	57	0.0	-78.91	404.44	8.12	-70.79
CC(C)C[C@H](CNC(=O)NCC1CCCC[N@@H+]1C)CC(=O)[O-]	REAL300013974798	0	53	0.0	-64.32	378.59	7.31	-57.01
CC(C)C[C@H](CNC(=O)NCC1CCCC[N@H+]1C)CC(=O)[O-]	REAL300013974798	1	53	0.0	-69.21	378.50	7.27	-61.94
CC[N@@H+]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1(C)C	REAL300013974828	0	56	0.0	-62.49	391.16	8.98	-53.51
CC[N@H+]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1(C)C	REAL300013974828	1	56	0.0	-67.82	385.84	8.80	-59.02
CC(C)C[C@H](CNC(=O)NC1CCC(C)([NH+]2CCOCC2)CC1)CC(=O)[O-]	REAL300013974847	0	64	0.0	-76.14	433.55	7.41	-68.73
CC(C)C[C@H](CNC(=O)N1CCC2C1CCC[N@@H+]2CCO)CC(=O)[O-]	REAL300013974857	0	58	0.0	-71.12	411.38	5.75	-65.37
CC(C)C[C@H](CNC(=O)N1CCC2C1CCC[N@H+]2CCO)CC(=O)[O-]	REAL300013974857	1	58	0.0	-72.84	399.63	5.57	-67.27
CC(C)C[C@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)CC(=O)[O-]	REAL300013974859	0	58	0.0	-71.07	399.37	9.13	-61.94
CC(C)C[C@H](CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC(=O)[O-]	REAL300013974863	0	58	0.0	-58.70	418.44	8.38	-50.32
CC(C)C[C@H](CNC(=O)NCC(C1=CC=C(N(C)C)C=C1)[NH+](C)C)CC(=O)[O-]	REAL300013974883	0	64	0.0	-68.32	466.41	9.21	-59.11
CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CCC(C)(C)C1)CC(=O)[O-]	REAL300013974922	0	56	0.0	-68.45	408.31	7.40	-61.05
CC(C)C[C@H](CNC(=O)NCC[N@H+]1CCC(C)(C)C1)CC(=O)[O-]	REAL300013974922	1	56	0.0	-68.86	407.76	7.44	-61.42
CC(C)C[C@H](CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)[C@H](C)C1)CC(=O)[O-]	REAL300013974949	1	60	0.0	-71.86	428.68	11.30	-60.56
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)[C@H](C)C1)CC(=O)[O-]	REAL300013974949	1	60	0.0	-65.72	432.96	11.14	-54.58
CCC(C)[NH+]1CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013974950	0	59	0.0	-68.78	414.17	8.16	-60.62
CC(C)C[C@H](CNC(=O)N1CC2CCC([NH+](C)C)CC2C1)CC(=O)[O-]	REAL300013974987	0	60	0.0	-79.28	422.59	9.65	-69.63
CCN1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC[N@H+](CC)CC1	REAL300013975008	0	64	0.0	-64.88	430.34	7.97	-56.91
CCN1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC[N@@H+](CC)CC1	REAL300013975008	1	64	0.0	-64.96	430.67	8.01	-56.95
CC(C)C[C@H](CNC(=O)NC1CCN(C2=CC=[NH+]C=C2)CC1)CC(=O)[O-]	REAL300013975023	0	56	0.0	-72.66	413.47	6.20	-66.46
CCC1CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC[N@H+](C)C1	REAL300013975039	0	56	0.0	-66.17	398.64	9.77	-56.40
CCC1CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC[N@@H+](C)C1	REAL300013975039	1	56	0.0	-75.98	390.94	9.43	-66.55
CC(C)C[C@H](CNC(=O)NCC(C)(C)N1CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300013975040	0	67	0.0	-73.70	458.83	6.98	-66.72
CC(C)C[C@H](CNC(=O)NCC1C[N@@H+]2CC3CC2(C3)CO1)CC(=O)[O-]	REAL300013975046	0	56	0.0	-72.71	406.39	5.81	-66.90
CC(C)C[C@H](CNC(=O)NCC1C[N@H+]2CC3CC2(C3)CO1)CC(=O)[O-]	REAL300013975046	1	56	0.0	-70.24	404.47	5.80	-64.44
CC[NH+](CC)CCC(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1=CC=CC=C1	REAL300013975047	0	65	0.0	-67.54	477.33	11.61	-55.93
CC(C)C[C@H](CNC(=O)NC(C)CC1CCCC[N@@H+]1C)CC(=O)[O-]	REAL300013975059	0	59	0.0	-61.95	418.59	8.51	-53.44
CC(C)C[C@H](CNC(=O)NC(C)CC1CCCC[N@H+]1C)CC(=O)[O-]	REAL300013975059	1	59	0.0	-71.22	413.45	8.13	-63.09
CC(C)C[C@H](CNC(=O)NNC(=O)C1=CC=C(C[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013975062	0	57	0.0	-84.45	433.09	7.74	-76.71
CC(C)C[C@H](CNC(=O)N1C[C@H]2C[C@H](CO)[N@H+](C)[C@H]2C1)CC(=O)[O-]	REAL300013975069	0	55	0.0	-61.64	388.22	5.19	-56.45
CC(C)C[C@H](CNC(=O)N1C[C@H]2C[C@H](CO)[N@@H+](C)[C@H]2C1)CC(=O)[O-]	REAL300013975069	1	55	0.0	-69.13	392.12	4.81	-64.32
CC(C)C[C@H](CNC(=O)N1CCC2=CC=[NH+]C(N(C)C)=C2C1)CC(=O)[O-]	REAL300013975078	1	56	0.0	-62.36	416.94	8.85	-53.51
CC(C)C[C@H](CNC(=O)N(C)CCC[NH+]1CCOCC1)CC(=O)[O-]	REAL300013975079	1	57	0.0	-72.36	414.39	7.75	-64.61
COC(=O)[C@]12CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C[C@H]1C[N@H+](C)CC2	REAL300013975088	0	60	0.0	-69.76	441.95	9.17	-60.59
COC(=O)[C@]12CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C[C@H]1C[N@@H+](C)CC2	REAL300013975088	1	60	0.0	-71.17	433.11	8.99	-62.18
CC(C)C[C@H](CNC(=O)N(C)C1CC[NH+](C(C)(C)C)CC1)CC(=O)[O-]	REAL300013975109	0	62	0.0	-68.97	425.25	9.88	-59.09
CC(C)C[C@H](CNC(=O)NCCC[NH+]1CCCC1)CC(=O)[O-]	REAL300013975115	0	53	0.0	-71.81	389.81	7.13	-64.68
CC(C)C[C@H](CNC(=O)NC1CC[NH+](CC2CCCO2)CC1)CC(=O)[O-]	REAL300013975121	0	61	0.0	-68.49	439.07	7.50	-60.99
CC(C)C[C@H](CNC(=O)NCC[NH+]1CCN(C2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300013975130	1	62	0.0	-74.04	452.77	7.96	-66.08
CC(C)C[C@H](CNC(=O)NCC[NH+]1CC2=CC=CC=C2C1)CC(=O)[O-]	REAL300013975149	1	54	0.0	-72.92	407.30	8.48	-64.44
CC(C)C[C@H](CNC(=O)NC1(C)CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013975159	0	60	0.0	-72.48	439.39	9.60	-62.88
CC(C)C[C@H](CNC(=O)NC1(C)CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013975159	1	60	0.0	-75.15	438.82	9.62	-65.53
CC(C)C[C@H](CNC(=O)N(C)C1CCC[N@H+](C)C1)CC(=O)[O-]	REAL300013975182	0	53	0.0	-71.13	378.47	8.50	-62.63
CC(C)C[C@H](CNC(=O)N(C)C1CCC[N@@H+](C)C1)CC(=O)[O-]	REAL300013975182	1	53	0.0	-66.69	378.55	8.43	-58.26
CC(C)C[C@H](CNC(=O)N1CC[NH+](C2CCCC2O)CC1)CC(=O)[O-]	REAL300013975188	0	58	0.0	-73.40	415.26	6.50	-66.90
CC(C)C[C@H](CNC(=O)N1CC[N@H+](CC2CN(C)CCO2)CC1C)CC(=O)[O-]	REAL300013975205	1	66	0.0	-78.13	469.39	7.26	-70.87
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CC2CN(C)CCO2)CC1C)CC(=O)[O-]	REAL300013975205	1	66	0.0	-72.41	469.82	7.30	-65.11
CC(C)C[C@H](CNC(=O)N1CCN(CC2C[N@H+](C)CCO2)CC1C)CC(=O)[O-]	REAL300013975205	1	66	0.0	-76.59	456.42	6.82	-69.77
CC(C)C[C@H](CNC(=O)N1CCN(CC2C[N@@H+](C)CCO2)CC1C)CC(=O)[O-]	REAL300013975205	1	66	0.0	-80.98	456.84	6.62	-74.36
CC[N@@H+]1CCOC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013975207	1	54	0.0	-73.85	396.09	5.38	-68.47
CC[N@H+]1CCOC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013975207	1	54	0.0	-72.35	396.11	5.44	-66.91
CC(C)C[C@H](CNC(=O)NCC[NH+]1CCC(O)CC1)CC(=O)[O-]	REAL300013975211	0	54	0.0	-72.23	394.61	3.66	-68.57
CC(C)C[C@H](CNC(=O)NCC1(C2=CC=CC=C2)CC[NH+](C)CC1)CC(=O)[O-]	REAL300013975214	0	63	0.0	-73.28	455.36	10.30	-62.98
CC(C)C[C@H](CNC(=O)NCCC(C)[NH+](C)C)CC(=O)[O-]	REAL300013975215	0	52	0.0	-68.67	382.91	6.49	-62.18
CC(C)C[C@H](CNC(=O)NC1CCCCC1[NH+](C)C)CC(=O)[O-]	REAL300013975218	0	56	0.0	-64.09	394.45	7.66	-56.43
CC(C)C[C@H](CNC(=O)N1CCC([N@@H+]2CCC(O)C2)CC1)CC(=O)[O-]	REAL300013975245	0	58	0.0	-71.18	412.14	6.11	-65.07
CC(C)C[C@H](CNC(=O)N1CCC([N@H+]2CCC(O)C2)CC1)CC(=O)[O-]	REAL300013975245	1	58	0.0	-68.21	417.75	6.28	-61.93
CC(C)C[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)CC(=O)[O-]	REAL300013975268	0	51	0.0	-79.72	366.87	7.67	-72.05
CC(C)C[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)CC(=O)[O-]	REAL300013975268	1	51	0.0	-79.84	367.28	7.70	-72.14
CC(C)C[C@H](CNC(=O)N1CC2CCCC[N@@H+]2CC1C)CC(=O)[O-]	REAL300013975286	0	57	0.0	-64.73	402.99	9.73	-55.00
CC(C)C[C@H](CNC(=O)N1CC2CCCC[N@H+]2CC1C)CC(=O)[O-]	REAL300013975286	1	57	0.0	-70.77	403.26	9.74	-61.03
CC(C)C[C@H](CNC(=O)N1CCCC([NH+]2CCOCC2)CC1)CC(=O)[O-]	REAL300013975314	0	61	0.0	-80.90	425.10	8.78	-72.12
CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CCC(C)C1)CC(=O)[O-]	REAL300013975322	0	53	0.0	-68.96	388.58	6.96	-62.00
CC(C)C[C@H](CNC(=O)NCC[N@H+]1CCC(C)C1)CC(=O)[O-]	REAL300013975322	1	53	0.0	-68.41	387.59	6.85	-61.56
CC(C)C[C@H](CNC(=O)NCC[N@@H+]1CCCC1C)CC(=O)[O-]	REAL300013975323	0	53	0.0	-65.18	386.82	6.73	-58.45
CC(C)C[C@H](CNC(=O)NCC[N@H+]1CCCC1C)CC(=O)[O-]	REAL300013975323	1	53	0.0	-66.65	381.56	6.57	-60.08
CC(C)C[C@H](CNC(=O)N1CC[N@H+](CC2=CC=CC=C2)C(C)C1)CC(=O)[O-]	REAL300013975325	1	60	0.0	-67.67	434.04	11.47	-56.20
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)CC(=O)[O-]	REAL300013975325	1	60	0.0	-64.86	438.22	11.30	-53.56
CC[NH+](CC)CC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013975326	0	59	0.0	-70.99	412.50	9.12	-61.87
COCC(COC)[NH+]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013975337	1	61	0.0	-69.57	435.61	7.95	-61.62
CC(C)C[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)CC(=O)[O-]	REAL300013975348	0	60	0.0	-70.63	442.68	5.74	-64.89
CC(C)C[C@H](CNC(=O)NC1C[N@H+](C)CC2=CC=CC=C21)CC(=O)[O-]	REAL300013975349	1	54	0.0	-73.36	401.28	8.80	-64.56
CC(C)C[C@H](CNC(=O)NC1C[N@@H+](C)CC2=CC=CC=C21)CC(=O)[O-]	REAL300013975349	1	54	0.0	-83.84	396.57	8.14	-75.70
CC(C)C[C@H](CNC(=O)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1)CC(=O)[O-]	REAL300013975352	1	60	0.0	-83.91	451.00	11.81	-72.10
CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CC[N@H+](CC)C1	REAL300013975380	0	56	0.0	-59.61	403.40	9.54	-50.07
CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CC[N@@H+](CC)C1	REAL300013975380	1	56	0.0	-53.75	398.06	9.45	-44.30
CC(C)C[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)CC(=O)[O-]	REAL300013975394	0	57	0.0	-77.18	418.26	7.64	-69.54
CC(C)C[C@H](CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)CC(=O)[O-]	REAL300013975417	0	66	0.0	-80.81	447.71	5.79	-75.02
CC[NH+]1CCC(N2CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)CC1	REAL300013975420	0	68	0.0	-81.37	471.14	10.17	-71.20
CCN1CCC([N@@H+]2CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)CC1	REAL300013975420	1	68	0.0	-68.61	468.51	9.71	-58.90
CCN1CCC([N@H+]2CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)CC1	REAL300013975420	1	68	0.0	-66.27	466.80	9.51	-56.76
CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013975430	0	58	0.0	-67.76	410.48	8.78	-58.98
CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013975430	1	58	0.0	-66.26	411.02	8.96	-57.30
CC(C)C[C@H](CNC(=O)N1CCCC([NH2+]C2CCOCC2)C1)CC(=O)[O-]	REAL300013975440	0	61	0.0	-73.51	429.19	7.08	-66.43
CC(C)C[C@H](CNC(=O)NCC1CCC[N@H+](CC2CC2)C1)CC(=O)[O-]	REAL300013975451	0	60	0.0	-68.67	429.46	9.29	-59.38
CC(C)C[C@H](CNC(=O)NCC1CCC[N@@H+](CC2CC2)C1)CC(=O)[O-]	REAL300013975451	1	60	0.0	-66.99	433.06	9.46	-57.53
CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CC[N@H+](C)C1	REAL300013975457	0	56	0.0	-55.54	396.14	9.78	-45.76
CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CC[N@@H+](C)C1	REAL300013975457	1	56	0.0	-63.16	399.82	9.17	-53.99
CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CC[N@H+](C)C1	REAL300013975458	0	53	0.0	-59.17	378.60	8.69	-50.48
CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CC[N@@H+](C)C1	REAL300013975458	1	53	0.0	-63.08	378.16	8.47	-54.61
COC(=O)C1CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC[N@H+](C)C1	REAL300013975483	0	56	0.0	-72.65	413.92	9.03	-63.62
COC(=O)C1CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC[N@@H+](C)C1	REAL300013975483	1	56	0.0	-69.79	410.37	8.82	-60.97
CC(C)C[C@H](CNC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)C1)CC(=O)[O-]	REAL300013975488	0	65	0.0	-68.74	459.30	8.06	-60.68
CC(C)C[C@H](CNC(=O)N1CCC2C1CCC[N@@H+]2C)CC(=O)[O-]	REAL300013975513	0	54	0.0	-75.80	372.85	7.83	-67.97
CC(C)C[C@H](CNC(=O)N1CCC2C1CCC[N@H+]2C)CC(=O)[O-]	REAL300013975513	1	54	0.0	-75.74	383.22	8.33	-67.41
CC(C)C[C@H](CNC(=O)NCC1CCCC[N@H+](C)C1)CC(=O)[O-]	REAL300013975521	0	56	0.0	-71.77	395.36	7.80	-63.97
CC(C)C[C@H](CNC(=O)NCC1CCCC[N@@H+](C)C1)CC(=O)[O-]	REAL300013975521	1	56	0.0	-70.24	400.98	7.96	-62.28
CC(C)C[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)CC(=O)[O-]	REAL300013975522	0	54	0.0	-63.29	381.90	8.48	-54.81
CC(C)C[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)CC(=O)[O-]	REAL300013975522	1	54	0.0	-64.54	387.67	8.74	-55.80
COCC[N@H+]1[C@H](C)CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C[C@@H]1C	REAL300013975567	0	60	0.0	-62.98	420.62	8.11	-54.87
COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C[C@@H]1C	REAL300013975567	1	60	0.0	-62.69	422.18	7.62	-55.07
CC(C)C[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)C1C)CC(=O)[O-]	REAL300013975631	0	57	0.0	-78.79	425.23	8.04	-70.75
CC(C)C[C@H](CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC(=O)[O-]	REAL300013975632	0	63	0.0	-71.06	457.77	6.66	-64.40
CC(C)C[C@H](CNC(=O)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1)CC(=O)[O-]	REAL300013975638	0	56	0.0	-76.10	433.17	7.89	-68.21
CC(C)C[C@H](CNC(=O)N1CC2=CC=C[NH+]=C2N2C[C@H](O)C[C@H]2C1)CC(=O)[O-]	REAL300013975659	1	58	0.0	-63.00	419.39	5.71	-57.29
CC(C)C[C@H](CNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1)CC(=O)[O-]	REAL300013975680	1	57	0.0	-68.88	407.90	9.16	-59.72
CC(C)C[C@H](CNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1)CC(=O)[O-]	REAL300013975681	1	57	0.0	-61.98	408.43	9.13	-52.85
CC(C)C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)CC(=O)[O-]	REAL300013975691	0	57	0.0	-76.65	425.08	3.93	-72.72
CC(C)C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)CC(=O)[O-]	REAL300013975691	1	57	0.0	-79.04	418.98	3.37	-75.67
CC(C)C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1C1=CC=CC=C1)CC(=O)[O-]	REAL300013975700	0	60	0.0	-80.74	446.12	9.72	-71.02
CC(C)C[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1C1=CC=CC=C1)CC(=O)[O-]	REAL300013975700	1	60	0.0	-77.67	445.56	9.74	-67.93
CC(C)C[C@H](CNC(=O)N1CCN2N=CC(C[NH+](C)C)=C2C1)CC(=O)[O-]	REAL300013975742	0	57	0.0	-79.82	426.82	8.44	-71.38
CC(C)C[C@H](CNC(=O)N[C@@H]1C[N@H+](C)C[C@H]1O)CC(=O)[O-]	REAL300013975771	0	48	0.0	-75.78	358.26	2.32	-73.46
CC(C)C[C@H](CNC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1O)CC(=O)[O-]	REAL300013975771	1	48	0.0	-77.44	358.58	2.32	-75.12
CC(C)C[C@H](CNC(=O)NC1CCC2C[N@H+](C)CC21)CC(=O)[O-]	REAL300013975780	0	54	0.0	-77.68	384.83	7.47	-70.21
CC(C)C[C@H](CNC(=O)NC1CCC2C[N@@H+](C)CC21)CC(=O)[O-]	REAL300013975780	1	54	0.0	-74.67	384.69	7.57	-67.10
CC1=[NH+]C=C2CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCN21	REAL300013975811	1	49	0.0	-60.15	369.22	8.36	-51.79
CC(C)C[C@H](CNC(=O)N1CC23C[NH+](C)CC2(C1)CCCC3)CC(=O)[O-]	REAL300013975828	0	61	0.0	-60.94	423.62	9.61	-51.33
CC(C)C[C@H](CNC(=O)NCC1=CC=C(C[NH+](C)C)S1)CC(=O)[O-]	REAL300013975876	0	53	0.0	-70.82	418.95	8.24	-62.58
CC(C)C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)CC(=O)[O-]	REAL300013975939	0	58	0.0	-63.97	415.65	6.67	-57.30
CC[NH+](CC)CCC(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013975947	0	58	0.0	-67.45	420.27	8.21	-59.24
CC(C)C[C@H](CNC(=O)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21)CC(=O)[O-]	REAL300013975981	0	61	0.0	-56.67	432.55	11.11	-45.56
CC(C)C[C@H](CNC(=O)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21)CC(=O)[O-]	REAL300013975981	1	61	0.0	-57.18	438.81	11.85	-45.33
CC(C)C[C@H](CNC(=O)N(C)[C@@H]1C[N@H+](C)C[C@H]1O)CC(=O)[O-]	REAL300013975982	0	51	0.0	-71.04	376.05	4.48	-66.56
CC(C)C[C@H](CNC(=O)N(C)[C@@H]1C[N@@H+](C)C[C@H]1O)CC(=O)[O-]	REAL300013975982	1	51	0.0	-76.19	370.65	4.28	-71.91
COC(=O)C1CC([NH+](C)C)CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013976008	0	59	0.0	-71.18	429.08	9.53	-61.65
CC(C)C[C@H](CNC(=O)N1CCC(C)([NH+]2CCOCC2)C1)CC(=O)[O-]	REAL300013976014	1	58	0.0	-65.41	406.40	7.14	-58.27
CC(C)C[C@H](CNC(=O)N(C)C(C[NH+](C)C)C1=CC=CC=C1)CC(=O)[O-]	REAL300013976024	0	59	0.0	-70.32	430.41	11.16	-59.16
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013976028	0	51	0.0	-67.35	379.81	4.70	-62.65
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013976028	1	51	0.0	-65.42	380.20	4.72	-60.70
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013976036	0	51	0.0	-67.77	370.53	8.08	-59.69
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013976036	1	51	0.0	-67.51	372.33	8.27	-59.24
CCC[NH+](CCC)CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013976090	0	58	0.0	-66.97	422.00	7.90	-59.07
CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1)CC(=O)[O-]	REAL300013976100	0	57	0.0	-68.44	429.57	9.50	-58.94
CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1)CC(=O)[O-]	REAL300013976100	1	57	0.0	-69.72	414.45	8.59	-61.13
CC[N@H+](C)C1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013976102	0	53	0.0	-68.20	387.65	8.28	-59.92
CC[N@@H+](C)C1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013976102	1	53	0.0	-71.27	382.37	8.11	-63.16
CC[N@H+](C)CC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013976119	0	59	0.0	-77.30	419.64	10.11	-67.19
CC[N@@H+](C)CC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013976119	1	59	0.0	-78.62	419.76	10.09	-68.53
CC(C)C[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)CC(=O)[O-]	REAL300013976157	0	57	0.0	-71.65	394.70	7.52	-64.13
CC(C)C[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)CC(=O)[O-]	REAL300013976157	1	57	0.0	-72.46	391.86	7.94	-64.52
CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(Cl)C=C1)CC(=O)[O-]	REAL300013976163	1	57	0.0	-71.78	445.98	10.00	-61.78
CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=C(Cl)C=C1)CC(=O)[O-]	REAL300013976163	1	57	0.0	-72.97	430.62	9.03	-63.94
CC(C)C[C@H](CNC(=O)NCC1=CC2=C(CC[N@H+](C)C2)NC1=O)CC(=O)[O-]	REAL300013976236	0	57	0.0	-93.44	429.46	5.97	-87.47
CC(C)C[C@H](CNC(=O)NCC1=CC2=C(CC[N@@H+](C)C2)NC1=O)CC(=O)[O-]	REAL300013976236	1	57	0.0	-89.23	434.84	6.19	-83.04
CC(C)C[C@H](CNC(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1)CC(=O)[O-]	REAL300013976243	1	56	0.0	-61.08	416.60	8.98	-52.10
CC(C)C[C@H](CNC(=O)N1CCC2=C(C=C[NH+]=C2N(C)C)C1)CC(=O)[O-]	REAL300013976269	1	56	0.0	-61.08	416.60	8.98	-52.10
CCC[N@@H+]1CCCCC1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013976271	0	59	0.0	-63.84	422.79	8.85	-54.99
CCC[N@H+]1CCCCC1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013976271	1	59	0.0	-65.60	418.91	8.23	-57.37
CC(C)C[C@H](CNC(=O)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1)CC(=O)[O-]	REAL300013976291	1	56	0.0	-78.97	432.65	8.56	-70.41
CC(C)C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C)CC(=O)[O-]	REAL300013976327	1	58	0.0	-73.62	406.03	7.63	-65.99
CC1=[NH+]C=C(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(N)=N1	REAL300013976342	1	48	0.0	-66.08	371.19	4.07	-62.01
CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C1=CC=C(F)C=C1)CC(=O)[O-]	REAL300013976366	0	57	0.0	-73.04	430.10	9.34	-63.70
CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C1=CC=C(F)C=C1)CC(=O)[O-]	REAL300013976366	1	57	0.0	-74.22	419.87	8.60	-65.62
CC(C)C[C@H](CNC(=O)NC1CC2CCC(C1)[NH+]2C1CC1)CC(=O)[O-]	REAL300013976396	0	58	0.0	-65.88	412.75	8.40	-57.48
CC1=C[NH+]=CC=C1N1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013976409	0	56	0.0	-74.55	412.14	8.27	-66.28
CCCC1=[NH+]C=CN1CCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013976469	1	57	0.0	-67.86	429.57	8.75	-59.11
C=CC[N@H+]1CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013976490	0	54	0.0	-66.35	386.49	9.66	-56.69
C=CC[N@@H+]1CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300013976490	1	54	0.0	-68.02	390.22	9.77	-58.25
CC(C)C[C@H](CNC(=O)N1CC23CCCC2(C1)C[NH+](C)C3)CC(=O)[O-]	REAL300013976497	0	58	0.0	-79.74	405.24	9.08	-70.66
CC(C)C[C@H](CNC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1)CC(=O)[O-]	REAL300013976506	0	57	0.0	-63.42	433.46	9.77	-53.65
CC(C)C[C@H](CNC(=O)N1CC[N@H+](C2CC2)C(C)C1)CC(=O)[O-]	REAL300013976539	1	54	0.0	-63.30	386.36	9.30	-54.00
CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C2CC2)C(C)C1)CC(=O)[O-]	REAL300013976539	1	54	0.0	-61.42	392.59	9.07	-52.35
CC(C)C[C@H](CNC(=O)NC[C@@H]1COC[C@H]1[NH+](C)C)CC(=O)[O-]	REAL300013976589	0	54	0.0	-73.59	395.64	5.23	-68.36
CC(C)C[C@H](CNC(=O)NCCCCCC[NH+](C)C)CC(=O)[O-]	REAL300013976591	0	58	0.0	-74.93	428.36	8.24	-66.69
CC(C)C[C@H](CNC(=O)NC1C[N@H+](C)C2(CCC2)C1)CC(=O)[O-]	REAL300013976593	0	54	0.0	-60.59	385.79	7.07	-53.52
CC(C)C[C@H](CNC(=O)NC1C[N@@H+](C)C2(CCC2)C1)CC(=O)[O-]	REAL300013976593	1	54	0.0	-61.82	394.30	7.34	-54.48
CC(C)C[C@H](CNC(=O)N1CCCCC([NH+](C)C)C1)CC(=O)[O-]	REAL300013976625	0	56	0.0	-58.16	391.31	9.37	-48.79
CC(C)C[C@H](CNC(=O)NCCCN1C=[NH+]C2=C1CCCC2)CC(=O)[O-]	REAL300013976634	1	58	0.0	-65.76	439.51	10.16	-55.60
CC(C)C[C@H](CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)CC(=O)[O-]	REAL300013976641	0	51	0.0	-62.96	364.82	7.77	-55.19
CC(C)C[C@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)CC(=O)[O-]	REAL300013976641	1	51	0.0	-65.83	372.98	8.13	-57.70
CC(C)C[C@H](CNC(=O)N[C@@H]1COC[C@H]1[NH+](C)C)CC(=O)[O-]	REAL300013976642	0	51	0.0	-73.86	374.60	4.56	-69.30
CC(C)C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)CC(=O)[O-]	REAL300013976658	0	60	0.0	-68.90	426.83	8.96	-59.94
CC(C)C[C@H](CNC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1)CC(=O)[O-]	REAL300013976658	1	60	0.0	-70.05	422.69	9.43	-60.62
CC(C)C[C@H](CNC(=O)NC1CC2CC1C[N@@H+]2C)CC(=O)[O-]	REAL300013976676	0	51	0.0	-68.41	359.24	7.13	-61.28
CC(C)C[C@H](CNC(=O)NC1CC2CC1C[N@H+]2C)CC(=O)[O-]	REAL300013976676	1	51	0.0	-69.76	367.67	6.76	-63.00
CCC1=[NH+]C=CN1CC(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300013976694	1	54	0.0	-66.42	410.12	8.08	-58.34
CC[N@@H+]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC12CCOC2	REAL300013976798	1	58	0.0	-71.34	401.00	7.42	-63.92
CC[N@H+]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC12CCOC2	REAL300013976798	1	58	0.0	-76.86	400.82	7.15	-69.71
CC(C)C[C@H](CNC(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1)CC(=O)[O-]	REAL300013976837	0	55	0.0	-70.47	400.93	5.70	-64.77
CC(C)C[C@H](CNC(=O)N(C)[C@H](C[NH+]1CCCC1)C1=CC=CC=C1)CC(=O)[O-]	REAL300013976854	0	63	0.0	-56.21	448.07	12.26	-43.95
CC(C)C[C@H](CNC(=O)N(C)C1CCN(C2=CC=[NH+]C=C2)C1)CC(=O)[O-]	REAL300013976903	0	56	0.0	-78.79	415.61	7.52	-71.27
CC(C)C[C@H](CNC(=O)NC1CCC[N@@H+](C(C)(C)C)C1)CC(=O)[O-]	REAL300013976912	0	59	0.0	-68.08	408.36	8.32	-59.76
CC(C)C[C@H](CNC(=O)NC1CCC[N@H+](C(C)(C)C)C1)CC(=O)[O-]	REAL300013976912	1	59	0.0	-66.85	411.91	7.73	-59.12
CC(C)C[C@H](CNC(=O)NCCC1=CC=C(N(C)C)[NH+]=C1)CC(=O)[O-]	REAL300013976959	1	55	0.0	-62.49	421.96	7.96	-54.53
CC(C)C[C@H](CNC(=O)NC1C[N@H+](C)C2(CCCC2)C1)CC(=O)[O-]	REAL300013976960	0	57	0.0	-59.92	402.09	7.78	-52.14
CC(C)C[C@H](CNC(=O)NC1C[N@@H+](C)C2(CCCC2)C1)CC(=O)[O-]	REAL300013976960	1	57	0.0	-61.24	402.58	7.79	-53.45
CC(C)C[C@H](CNC(=O)NC1C[N@H+](C)C2(C1)CCOCC2)CC(=O)[O-]	REAL300013977001	0	58	0.0	-65.12	407.18	5.86	-59.26
CC(C)C[C@H](CNC(=O)NC1C[N@@H+](C)C2(C1)CCOCC2)CC(=O)[O-]	REAL300013977001	1	58	0.0	-68.02	407.95	5.70	-62.32
CC(C)C[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1)CC(=O)[O-]	REAL300013977022	1	61	0.0	-75.11	418.36	8.56	-66.55
CC1=CC=C(C[NH+]2CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)C=C1	REAL300013977026	1	60	0.0	-68.43	442.99	11.53	-56.90
CC(C)C[C@H](CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)CC(=O)[O-]	REAL300013977037	0	57	0.0	-75.30	401.45	6.08	-69.22
CC(C)C[C@H](CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)CC(=O)[O-]	REAL300013977037	1	57	0.0	-64.14	399.26	5.61	-58.53
CC(C)C[C@H](CNC(=O)N1CCC([N@H+](C)C(C)C)CC1)CC(=O)[O-]	REAL300013977053	0	59	0.0	-73.07	410.34	9.42	-63.65
CC(C)C[C@H](CNC(=O)N1CCC([N@@H+](C)C(C)C)CC1)CC(=O)[O-]	REAL300013977053	1	59	0.0	-72.85	410.45	9.38	-63.47
CC(C)C[C@H](CNC(=O)NCC1CCC[N@@H+](C2CCCC2)C1)CC(=O)[O-]	REAL300013977057	0	63	0.0	-70.36	445.02	9.61	-60.75
CC(C)C[C@H](CNC(=O)NCC1CCC[N@H+](C2CCCC2)C1)CC(=O)[O-]	REAL300013977057	1	63	0.0	-67.07	450.72	9.80	-57.27
CC(C)C[C@H](CNC(=O)N1CCOC(CC[NH+](C)C)C1)CC(=O)[O-]	REAL300013977068	0	57	0.0	-68.42	417.31	7.88	-60.54
CC(C)C[C@H](CNC(=O)NCC(C)C1=CC=C(N(C)C)[NH+]=C1)CC(=O)[O-]	REAL300013977098	1	58	0.0	-64.07	432.29	8.30	-55.77
CC(C)C[C@H](CNC(=O)NCC(C)(C)C1=CC=C(N(C)C)[NH+]=C1)CC(=O)[O-]	REAL300013977102	1	61	0.0	-62.32	445.10	8.91	-53.41
CC(C)C[C@H](CNC(=O)NCC1CCCC2=[NH+]C=CN21)CC(=O)[O-]	REAL300013977121	1	52	0.0	-65.95	384.05	7.97	-57.98
CCCC1=[NH+]C=CN1C1CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300013977197	1	61	0.0	-66.05	451.67	11.35	-54.70
CC(C)C[C@H](CNC(=O)NCC1CCCC2=[NH+]C=CN21)CC(=O)[O-]	REAL300013977255	1	52	0.0	-65.95	384.05	7.97	-57.98
CC(C)C[C@H](CNC(=O)N1CCCC[C@H]([NH+](C)C)C1)CC(=O)[O-]	REAL300013977265	0	56	0.0	-81.59	392.16	9.36	-72.23
CC(C)C[C@H](CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C(C)(C)C1)CC(=O)[O-]	REAL300013977310	0	63	0.0	-64.01	463.23	10.23	-53.78
CC(C)C[C@H](CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C(C)(C)C1)CC(=O)[O-]	REAL300013977310	1	63	0.0	-65.17	461.02	10.16	-55.01
CC(C)C[C@H](CNC(=O)NCCC1=CC=C(C[NH+](C)C)C=C1)CC(=O)[O-]	REAL300013977339	0	59	0.0	-76.67	444.22	9.57	-67.10
CC(C)C[C@H](CNC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013977344	0	63	0.0	-71.63	451.46	10.51	-61.12
CC(C)C[C@H](CNC(=O)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300013977344	1	63	0.0	-69.81	452.77	10.50	-59.31
CCC[N@H+](CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C	REAL300013977382	0	58	0.0	-65.48	414.39	7.48	-58.00
CCC[N@@H+](CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C	REAL300013977382	1	58	0.0	-65.20	413.35	7.51	-57.69
CC(C)C[C@H](CNC(=O)NC1CC[N@H+](C)CC1(C)C)CC(=O)[O-]	REAL300013977417	0	56	0.0	-72.57	395.24	7.77	-64.80
CC(C)C[C@H](CNC(=O)NC1CC[N@@H+](C)CC1(C)C)CC(=O)[O-]	REAL300013977417	1	56	0.0	-68.17	399.22	8.26	-59.91
CC(C)C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCC1)CC(=O)[O-]	REAL300013977418	0	53	0.0	-65.76	386.30	7.44	-58.32
CC(C)C[C@H](CNC(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CC(=O)[O-]	REAL300013977435	0	64	0.0	-75.95	455.14	9.41	-66.54
CC(C)C[C@H](CNC(=O)N1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CC(=O)[O-]	REAL300013977435	1	64	0.0	-68.50	448.49	9.43	-59.07
CC1(C)CC1(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300013977470	1	55	0.0	-35.45	419.96	9.33	-26.12
CCC(CC)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300013977545	1	57	0.0	-41.95	420.89	9.15	-32.80
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)CC(F)(F)F	REAL300013977613	1	47	0.0	-36.45	358.40	6.34	-30.11
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(N3CCC(O)CC3)C=C2)CC1	REAL300013977729	1	58	0.0	-41.94	436.78	4.17	-37.77
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2SCCS2)CC1	REAL300013977792	1	44	0.0	-37.45	359.69	6.33	-31.12
O=C([O-])C[NH+]1CCC(NC(=O)NCCCC2=CC=CO2)CC1	REAL300013977843	1	45	0.0	-41.75	356.50	5.91	-35.84
CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CCCCC1	REAL300013977888	1	54	0.0	-35.29	390.09	7.79	-27.50
COC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1CCCCC1	REAL300013977954	1	55	0.0	-40.47	403.01	6.40	-34.07
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC(F)=CC=C2OC(F)F)CC1	REAL300013978029	1	46	0.0	-38.21	377.74	5.95	-32.26
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC(C3CCC3)CC2)CC1	REAL300013978097	1	55	0.0	-39.13	398.29	8.94	-30.19
O=C([O-])C[NH+]1CCC(NC(=O)NC2CC3C4=CC=CC=C4CCC23)CC1	REAL300013978169	1	53	0.0	-36.80	394.96	9.37	-27.43
COC1=CC=CC(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=C1C	REAL300013978267	1	49	0.0	-36.85	378.62	6.15	-30.70
O=C([O-])C[NH+]1CCC(NC(=O)NCC2CCC3(CC3)CC2)CC1	REAL300013978327	1	52	0.0	-39.67	386.67	8.00	-31.67
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(OCC3=CC=CC=C3)C=C2)CC1	REAL300013978394	1	56	0.0	-41.92	444.41	9.56	-32.36
O=C([O-])C[NH+]1CCC(NC(=O)NC(C2CCC2)C2CCCO2)CC1	REAL300013978457	1	53	0.0	-34.40	389.48	7.25	-27.15
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=CC3=C2CCOC3)CC1	REAL300013978544	1	50	0.0	-36.63	382.98	6.17	-30.46
O=C([O-])C[NH+]1CCC(NC(=O)NCCC2CCCS2)CC1	REAL300013978608	1	46	0.0	-38.34	359.81	6.44	-31.90
CC1=C(F)C=C2NC=C(CCNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C2=C1	REAL300013978677	1	52	0.0	-45.18	413.19	7.80	-37.38
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(C3CCCCO3)CCC2)CC1	REAL300013978747	1	56	0.0	-34.29	406.98	7.30	-26.99
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300013978798	0	52	0.0	-78.14	413.26	9.86	-68.28
CC1=[NH+]C=CN1CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013978803	1	43	0.0	-67.69	355.84	7.28	-60.41
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[NH+](CC2CC2)CC1	REAL300013978806	0	49	0.0	-70.88	379.55	8.42	-62.46
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C[NH+]1CCCC1	REAL300013978810	0	48	0.0	-68.99	369.86	7.68	-61.31
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[NH+](CC2CC2)CC1	REAL300013978813	0	46	0.0	-69.97	351.92	8.87	-61.10
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013978814	0	51	0.0	-82.23	405.05	11.33	-70.90
CCCC[N@H+](C)CC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013978820	0	57	0.0	-78.18	422.24	11.28	-66.90
CCCC[N@@H+](C)CC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013978820	1	57	0.0	-78.66	422.35	11.27	-67.39
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013978824	0	51	0.0	-78.85	412.07	11.44	-67.41
CC1=CC=C(CN(CC[NH+](C)C)C(=O)NCC2=CC=CC=C2C(=O)[O-])O1	REAL300013978825	0	51	0.0	-60.62	409.24	10.32	-50.30
CC(C)[N@H+](C)CC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013978827	0	54	0.0	-75.45	395.99	10.25	-65.20
CC(C)[N@@H+](C)CC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013978827	1	54	0.0	-75.77	396.04	10.26	-65.51
CC[NH+](CC)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CO1	REAL300013978832	0	51	0.0	-59.59	393.33	8.05	-51.54
C[N@H+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])CC1=CC=CC=C1	REAL300013978835	0	48	0.0	-70.32	383.88	8.53	-61.79
C[N@@H+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])CC1=CC=CC=C1	REAL300013978835	1	48	0.0	-70.69	383.93	8.55	-62.14
O=C([O-])C1=CC=CC=C1CNC(=O)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300013978837	1	46	0.0	-71.35	377.64	8.06	-63.29
O=C([O-])C1=CC=CC=C1CNC(=O)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300013978837	1	46	0.0	-71.26	377.64	8.06	-63.20
CC(C[N@@H+]1CCCC(C)C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013978857	0	51	0.0	-68.83	388.50	8.69	-60.14
CC(C[N@H+]1CCCC(C)C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013978857	1	51	0.0	-62.67	388.60	8.67	-54.00
CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013978860	0	57	0.0	-59.50	408.19	9.13	-50.37
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013978861	0	54	0.0	-68.48	409.24	9.25	-59.23
CC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013978862	0	54	0.0	-59.87	387.59	8.56	-51.31
CC1CCC[N@H+](C(C)(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013978862	1	54	0.0	-62.88	393.88	8.54	-54.34
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013978864	0	52	0.0	-67.11	406.73	9.85	-57.26
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013978864	1	52	0.0	-67.59	406.26	9.70	-57.89
CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013978895	0	55	0.0	-79.05	424.95	7.06	-71.99
CC1=[NH+]C=CN1CC(C)CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013978896	1	46	0.0	-68.13	371.81	7.95	-60.18
C[NH+](C)C1CCN(C(C)(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013978904	0	59	0.0	-66.72	427.57	7.05	-59.67
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1	REAL300013978921	0	58	0.0	-71.09	417.17	12.24	-58.85
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300013978921	1	58	0.0	-58.80	417.54	12.20	-46.60
CC(C)(C)[NH+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013978927	0	48	0.0	-64.76	352.08	8.30	-56.46
CC(C)(C)CC[NH+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013978932	0	54	0.0	-69.95	399.08	9.97	-59.98
C[NH+](C)CCC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013978937	0	51	0.0	-79.44	383.19	9.64	-69.80
CCC[N@@H+]1CCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013978949	0	48	0.0	-71.37	374.15	7.53	-63.84
CCC[N@H+]1CCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013978949	1	48	0.0	-71.18	373.66	7.47	-63.71
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013978956	0	55	0.0	-76.43	426.75	10.47	-65.96
CC1C[N@H+](CC2=CC=CC(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])=C2)CCO1	REAL300013978957	1	56	0.0	-71.98	441.66	8.76	-63.22
CC1C[N@@H+](CC2=CC=CC(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])=C2)CCO1	REAL300013978957	1	56	0.0	-73.08	441.62	8.77	-64.31
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1	REAL300013978961	0	58	0.0	-71.89	428.57	10.20	-61.69
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013978973	0	52	0.0	-74.58	416.37	8.40	-66.18
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300013978974	0	52	0.0	-72.79	417.12	9.62	-63.17
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300013978974	1	52	0.0	-71.69	410.64	9.58	-62.11
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300013978975	0	52	0.0	-74.80	417.13	9.59	-65.21
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013978982	1	52	0.0	-74.58	403.60	6.51	-68.07
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[N@@H+]2CCCC2C1	REAL300013978988	0	43	0.0	-66.00	328.43	8.01	-57.99
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[N@H+]2CCCC2C1	REAL300013978988	1	43	0.0	-66.37	328.37	8.00	-58.37
CCOCC[NH+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013978989	1	49	0.0	-68.71	377.23	7.75	-60.96
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300013978999	0	51	0.0	-67.40	394.66	9.16	-58.24
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300013978999	1	51	0.0	-67.10	394.84	9.20	-57.90
CCC1CCC[N@@H+](C(C)(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013979003	0	57	0.0	-59.10	412.64	9.19	-49.91
CCC1CCC[N@H+](C(C)(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013979003	1	57	0.0	-63.22	405.28	9.16	-54.06
CC[N@@H+]1CCCCC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979005	0	48	0.0	-59.91	355.71	7.22	-52.69
CC[N@H+]1CCCCC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979005	1	48	0.0	-67.90	356.93	7.07	-60.83
O=C([O-])C1=CC=CC=C1CNC(=O)NCCCCC[NH+]1CCCCC1	REAL300013979016	0	54	0.0	-73.66	412.90	9.15	-64.51
C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300013979025	0	48	0.0	-69.76	384.94	8.63	-61.13
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+]1CCCCC1	REAL300013979037	0	48	0.0	-61.25	359.57	7.47	-53.78
CC(C)(C)[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979042	0	51	0.0	-67.07	377.17	7.62	-59.45
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C[NH+]1CCCCC1	REAL300013979043	0	51	0.0	-70.68	386.00	8.43	-62.25
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979063	0	53	0.0	-73.24	421.52	7.27	-65.97
CC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013979065	0	55	0.0	-62.85	426.90	10.44	-52.41
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+]1CCC(C)CC1	REAL300013979066	0	51	0.0	-64.97	379.97	8.02	-56.95
CC[NH+]1CCN(C2=CC(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])=CC=N2)CC1	REAL300013979075	0	56	0.0	-71.91	436.85	7.82	-64.09
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300013979078	0	58	0.0	-77.14	438.46	10.61	-66.53
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300013979079	0	58	0.0	-78.13	438.67	10.61	-67.52
CN1CC[N@H+](C)CC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979090	0	47	0.0	-75.40	354.94	4.38	-71.02
CN1CC[N@@H+](C)CC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979090	1	47	0.0	-75.30	362.28	4.70	-70.60
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300013979094	0	56	0.0	-76.74	440.97	9.65	-67.09
CC(C)[NH2+]C1CCCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013979095	0	48	0.0	-68.22	361.91	7.40	-60.82
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979100	1	52	0.0	-73.91	396.29	11.10	-62.81
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979100	1	52	0.0	-67.44	398.04	11.27	-56.17
CC1CC[NH+](C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013979115	0	58	0.0	-67.33	441.09	11.06	-56.27
CC1CCCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])([NH+](C)C)C1	REAL300013979123	0	54	0.0	-69.44	386.97	8.30	-61.14
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[NH+](CCC2=CC=CS2)CC1	REAL300013979145	1	49	0.0	-72.50	394.43	10.46	-62.04
CCCC[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979154	0	51	0.0	-71.61	390.55	8.38	-63.23
CN1CCC([NH+]2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013979159	0	57	0.0	-71.56	418.69	6.48	-65.08
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1	REAL300013979193	0	56	0.0	-67.40	407.80	9.26	-58.14
CCCC[N@H+](C)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979201	0	47	0.0	-68.39	367.96	7.13	-61.26
CCCC[N@@H+](C)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979201	1	47	0.0	-68.44	367.95	7.15	-61.29
O=C([O-])C1=CC=CC=C1CNC(=O)NCC[NH+]1CCSCC1	REAL300013979202	1	43	0.0	-71.00	347.96	6.58	-64.42
CN(CC[NH+]1CCCC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979214	0	45	0.0	-60.80	350.83	8.52	-52.28
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300013979217	0	58	0.0	-64.60	430.26	11.57	-53.03
O=C([O-])C1=CC=CC=C1CNC(=O)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013979256	1	56	0.0	-75.68	435.08	4.95	-70.73
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013979276	0	54	0.0	-80.18	423.83	8.86	-71.32
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979284	0	57	0.0	-70.13	414.81	10.62	-59.51
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979284	1	57	0.0	-45.89	424.63	11.64	-34.25
CC[NH+]1CCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979288	0	48	0.0	-71.20	367.89	7.57	-63.63
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300013979298	0	53	0.0	-72.48	405.57	11.67	-60.81
CC([NH2+]C(C)(C)CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300013979309	0	54	0.0	-69.42	408.43	8.23	-61.19
CC([NH2+]C1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300013979310	0	58	0.0	-68.24	435.16	9.62	-58.62
CCC(CC)(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013979311	0	60	0.0	-66.51	440.93	9.78	-56.73
CCC1CCCC[N@@H+]1CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979314	0	51	0.0	-64.42	376.65	7.70	-56.72
CCC1CCCC[N@H+]1CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979314	1	51	0.0	-64.66	383.73	7.93	-56.73
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[NH+](C2CCC2)CC1	REAL300013979318	0	46	0.0	-66.68	351.39	8.91	-57.77
CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013979321	0	55	0.0	-75.23	419.88	11.84	-63.39
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC[N@H+](CCCC2=CC=CC=C2)CC1	REAL300013979332	0	58	0.0	-77.51	439.98	13.40	-64.11
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC[N@@H+](CCCC2=CC=CC=C2)CC1	REAL300013979332	1	58	0.0	-66.09	439.72	13.44	-52.65
CC[N@H+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC1	REAL300013979341	0	45	0.0	-64.23	355.67	6.98	-57.25
CC[N@@H+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC1	REAL300013979341	1	45	0.0	-65.56	355.90	7.00	-58.56
CC[N@H+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C(C)C	REAL300013979356	0	47	0.0	-65.34	351.55	6.38	-58.96
CC[N@@H+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C(C)C	REAL300013979356	1	47	0.0	-65.02	355.16	6.46	-58.56
CC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+]2CCCC2)O1	REAL300013979371	0	52	0.0	-60.01	404.09	8.72	-51.29
COCCC[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979391	0	52	0.0	-73.94	402.72	6.67	-67.27
COCC[N@H+](C)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979393	0	45	0.0	-67.02	357.52	4.79	-62.23
COCC[N@@H+](C)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979393	1	45	0.0	-68.67	357.56	4.82	-63.85
CCC[NH+]1CCC(N(C)C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979397	0	51	0.0	-72.09	382.02	9.64	-62.45
CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[NH+](CCC2=CC=CC=N2)CC1	REAL300013979398	0	57	0.0	-75.87	436.56	10.92	-64.95
CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013979399	0	57	0.0	-81.63	437.27	10.94	-70.69
CCC(C)[N@H+](C)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979402	0	47	0.0	-65.30	356.23	6.76	-58.54
CCC(C)[N@@H+](C)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979402	1	47	0.0	-65.99	356.80	6.72	-59.27
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC([NH+]2CCCC2)C1	REAL300013979404	0	46	0.0	-69.69	356.20	8.47	-61.22
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979410	0	58	0.0	-82.68	437.98	12.65	-70.03
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979410	1	58	0.0	-81.15	438.33	12.66	-68.49
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979420	0	54	0.0	-72.40	420.31	11.75	-60.65
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013979421	0	55	0.0	-87.59	445.10	7.08	-80.51
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCCC1C[NH+]1CCCC1	REAL300013979437	0	49	0.0	-67.34	372.37	9.26	-58.08
C[NH+]1CCN(CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013979449	0	57	0.0	-61.16	444.95	8.74	-52.42
CC(C)[N@@H+]1CCCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979456	0	48	0.0	-58.30	354.01	9.35	-48.95
CC(C)[N@H+]1CCCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979456	1	48	0.0	-71.69	352.08	9.18	-62.51
CC1CC[NH+](CC2=CC=CC(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])=C2)CC1	REAL300013979463	0	58	0.0	-78.11	449.95	11.05	-67.06
CCC[NH+](CCC)CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979464	0	53	0.0	-71.07	402.95	8.30	-62.77
C[NH+]1CCN(CC2=CC=CC(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])=C2)CC1	REAL300013979471	0	57	0.0	-75.56	446.18	7.99	-67.57
CN1CC[NH+](CC2=CC=CC(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])=C2)CC1	REAL300013979471	1	57	0.0	-78.15	445.65	7.87	-70.28
CC1CC[NH+](CC2CCCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300013979497	0	58	0.0	-70.93	424.38	11.52	-59.41
CC(C)(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013979512	0	55	0.0	-65.65	412.04	10.04	-55.61
CC(C)(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013979512	1	55	0.0	-65.16	411.82	10.12	-55.04
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979528	0	57	0.0	-64.78	434.07	12.54	-52.24
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979532	0	57	0.0	-75.97	449.58	12.91	-63.06
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300013979539	0	53	0.0	-78.84	401.63	8.57	-70.27
C[NH+](C)CCCOC1=CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013979542	0	55	0.0	-78.60	439.99	9.01	-69.59
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300013979544	0	55	0.0	-75.63	433.85	10.51	-65.12
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300013979544	1	55	0.0	-73.02	433.76	10.52	-62.50
C[NH+]1CCC(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979550	0	48	0.0	-74.44	370.49	7.45	-66.99
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300013979572	0	52	0.0	-67.31	397.75	9.54	-57.77
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300013979572	1	52	0.0	-68.14	399.11	9.93	-58.21
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@@H+]1CCC2=C(C=CS2)C1	REAL300013979573	1	49	0.0	-65.46	388.47	8.70	-56.76
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@H+]1CCC2=C(C=CS2)C1	REAL300013979573	1	49	0.0	-68.04	388.33	8.63	-59.41
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[NH+](CC2CCCCC2)CC1	REAL300013979590	0	55	0.0	-70.12	403.36	10.91	-59.21
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979592	0	51	0.0	-73.40	422.40	11.86	-61.54
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979593	0	51	0.0	-73.71	412.08	11.42	-62.29
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979594	0	51	0.0	-76.38	418.37	11.47	-64.91
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979595	0	51	0.0	-71.23	412.24	11.47	-59.76
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979604	0	54	0.0	-77.40	423.96	8.31	-69.09
CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979608	0	55	0.0	-75.32	413.09	8.78	-66.54
CN(CC1CC[NH+](C)CC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979610	0	48	0.0	-61.31	363.36	8.82	-52.49
C[NH+](C)CCOC1=CC=C(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013979629	0	55	0.0	-78.39	438.93	9.13	-69.26
CC(C)(C)[N@@H+]1CCCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979658	0	51	0.0	-61.88	367.54	9.58	-52.30
CC(C)(C)[N@H+]1CCCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979658	1	51	0.0	-69.22	367.86	9.58	-59.64
CC[N@H+](C)CC1=CC=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013979668	0	51	0.0	-77.92	405.29	9.22	-68.70
CC[N@@H+](C)CC1=CC=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013979668	1	51	0.0	-70.75	405.28	9.21	-61.54
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC[N@@H+](C2CC2)CC1	REAL300013979671	0	46	0.0	-61.51	348.19	9.61	-51.90
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC[N@H+](C2CC2)CC1	REAL300013979671	1	46	0.0	-70.30	349.08	9.60	-60.70
COC1=CC=[NH+]C(N2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)=C1	REAL300013979674	0	49	0.0	-72.24	382.91	7.06	-65.18
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1C[N@@H+]2CCCC2CO1	REAL300013979679	0	47	0.0	-69.58	366.52	5.73	-63.85
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1C[N@H+]2CCCC2CO1	REAL300013979679	1	47	0.0	-72.52	366.41	5.74	-66.78
C[NH+](C)C1CCCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013979680	0	45	0.0	-69.02	339.72	8.09	-60.93
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@H+](C)C1CC1	REAL300013979681	0	45	0.0	-65.11	348.36	6.97	-58.14
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@@H+](C)C1CC1	REAL300013979681	1	45	0.0	-61.32	344.01	7.41	-53.91
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[NH+](C2CC2)CC1	REAL300013979683	1	43	0.0	-66.41	334.48	8.34	-58.07
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979684	0	56	0.0	-63.93	417.26	7.84	-56.09
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979684	1	56	0.0	-62.23	417.25	7.86	-54.37
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979684	1	56	0.0	-70.13	414.74	7.76	-62.37
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCCC1C[NH+]1CCCCC1	REAL300013979686	0	52	0.0	-59.42	383.37	9.81	-49.61
CC1C[NH+](CC2CCCN2C(=O)NCC2=CC=CC=C2C(=O)[O-])CC(C)O1	REAL300013979688	1	56	0.0	-68.77	415.07	9.06	-59.71
CC(C)[N@@H+]1CCCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013979690	0	51	0.0	-68.52	384.54	8.08	-60.44
CC(C)[N@H+]1CCCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013979690	1	51	0.0	-69.63	384.53	8.07	-61.56
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[N@@H+]2CCCCC2C1	REAL300013979691	0	46	0.0	-65.37	346.54	8.62	-56.75
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[N@H+]2CCCCC2C1	REAL300013979691	1	46	0.0	-66.02	346.55	8.62	-57.40
CC1CCC(C)[NH+]1CCN1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979692	0	60	0.0	-69.64	432.99	8.52	-61.12
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979694	0	51	0.0	-71.20	403.99	10.98	-60.22
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300013979698	0	56	0.0	-81.23	440.18	7.09	-74.14
CC[NH+](CC)CCN(CCOC)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979699	0	54	0.0	-57.61	413.75	8.87	-48.74
COCCN(CC[NH+](C)C)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979701	0	48	0.0	-60.39	378.05	7.51	-52.88
C[N@H+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CCCC1	REAL300013979707	0	48	0.0	-66.04	367.31	7.53	-58.51
C[N@@H+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CCCC1	REAL300013979707	1	48	0.0	-67.08	367.30	7.52	-59.56
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@@H+]2CCCCC12	REAL300013979717	0	46	0.0	-67.40	353.18	7.36	-60.04
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@H+]2CCCCC12	REAL300013979717	1	46	0.0	-67.61	349.90	7.66	-59.95
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCCC([NH+]2CCCC2)C1	REAL300013979731	0	49	0.0	-64.12	366.87	9.25	-54.87
CC1=[NH+]C=CN1CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979753	1	40	0.0	-63.99	334.33	6.54	-57.45
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1	REAL300013979781	0	53	0.0	-66.05	383.91	6.49	-59.56
CC1(C)CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013979787	0	55	0.0	-64.78	409.92	11.52	-53.26
CC1(C)CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013979787	1	55	0.0	-66.39	409.88	11.51	-54.88
C=C(C)C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979795	0	49	0.0	-70.04	381.74	8.02	-62.02
C=CC[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979802	0	46	0.0	-70.08	361.25	7.45	-62.63
CC[NH+]1CCN(C2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300013979874	0	54	0.0	-76.98	405.44	7.37	-69.61
CC(CN1CC[NH+](C)CC1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979878	0	50	0.0	-61.48	386.21	5.48	-56.00
CC(C[NH+]1CCN(C)CC1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979878	1	50	0.0	-68.66	384.16	5.51	-63.15
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979885	0	50	0.0	-82.72	401.53	9.56	-73.16
CC1CCCC(C)[NH+]1CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013979900	0	51	0.0	-63.22	375.58	7.48	-55.74
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=CC(C[NH+]2CCOCC2)=C1	REAL300013979913	1	53	0.0	-79.90	420.46	8.02	-71.88
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013979918	0	51	0.0	-78.48	401.51	7.97	-70.51
CC[NH+](CC)C1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979925	0	51	0.0	-68.33	370.02	9.12	-59.21
CC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+](C)C)C=C1	REAL300013979970	0	51	0.0	-70.49	399.79	9.25	-61.24
COCC[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979982	0	49	0.0	-69.22	380.61	6.05	-63.17
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013979992	0	55	0.0	-64.05	410.80	10.01	-54.04
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013979992	1	55	0.0	-64.27	415.30	9.96	-54.31
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013979994	0	55	0.0	-73.58	426.77	10.46	-63.12
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013979994	1	55	0.0	-72.23	419.83	10.42	-61.81
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCCC([NH+]2CCCCC2)C1	REAL300013979996	0	52	0.0	-65.59	381.26	9.97	-55.62
COC1CC[NH+](C(C)(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013979997	0	55	0.0	-63.08	406.10	6.96	-56.12
COC1CC[NH+](C2(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])CCCC2)CC1	REAL300013979998	0	59	0.0	-65.58	427.54	7.97	-57.61
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC([NH+]2CCCCC2)C1	REAL300013980001	0	49	0.0	-68.99	371.06	9.13	-59.86
COCC[NH+]1CCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980005	0	52	0.0	-71.90	400.50	6.75	-65.15
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@H+](CC2CC2)C1	REAL300013980015	0	46	0.0	-68.39	364.14	7.82	-60.57
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@@H+](CC2CC2)C1	REAL300013980015	1	46	0.0	-68.81	363.17	7.78	-61.03
CCCC[N@@H+]1CCCCC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980021	0	54	0.0	-61.52	398.71	8.74	-52.78
CCCC[N@H+]1CCCCC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980021	1	54	0.0	-65.75	403.95	9.27	-56.48
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCC1	REAL300013980051	0	55	0.0	-65.17	416.74	10.38	-54.79
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCC1	REAL300013980051	1	55	0.0	-67.35	418.41	9.98	-57.37
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[NH+](CC2CCOC2)CC1	REAL300013980075	0	53	0.0	-75.40	402.88	6.93	-68.47
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1	REAL300013980081	0	53	0.0	-72.87	394.47	8.53	-64.34
CN1CC[NH+](CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980086	0	53	0.0	-73.40	408.35	5.82	-67.58
C[NH+]1CCN(CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980086	1	53	0.0	-75.94	408.73	5.94	-70.00
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980096	1	52	0.0	-73.86	396.29	11.10	-62.76
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980096	1	52	0.0	-64.52	398.03	11.27	-53.25
CC[NH+](CC)CC(C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980108	0	47	0.0	-57.46	351.19	7.80	-49.66
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300013980120	0	59	0.0	-67.90	422.28	8.13	-59.77
CC[N@@H+]1CCC2CCC(C1)N2C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980135	0	49	0.0	-72.23	358.04	9.66	-62.57
CC[N@H+]1CCC2CCC(C1)N2C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980135	1	49	0.0	-69.54	358.04	9.61	-59.93
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980148	0	53	0.0	-64.40	417.68	10.58	-53.82
C[NH+](C)CCN(CC1=CC=CS1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980150	0	48	0.0	-66.41	395.66	10.47	-55.94
C[NH+]1CCC2(CCCN2C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980186	0	49	0.0	-48.88	351.93	8.48	-40.40
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980200	0	52	0.0	-70.16	383.42	6.82	-63.34
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980200	1	52	0.0	-66.05	385.72	6.99	-59.06
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300013980227	0	53	0.0	-69.46	394.66	8.48	-60.98
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980230	0	58	0.0	-73.04	436.61	11.16	-61.88
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980230	1	58	0.0	-72.06	436.66	11.16	-60.90
C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3=CC=CC=C3C(=O)[O-])C[C@@H]21	REAL300013980252	0	43	0.0	-73.06	327.39	7.23	-65.83
C[N@H+]1CC[C@@H]2CN(C(=O)NCC3=CC=CC=C3C(=O)[O-])C[C@@H]21	REAL300013980252	1	43	0.0	-71.87	331.29	7.68	-64.19
C[NH+](C)CCCC(C)(C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980256	0	50	0.0	-76.76	376.77	7.46	-69.30
C[C@@H]1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C[C@H](C)[N@H+]1CCO	REAL300013980260	0	49	0.0	-62.61	358.80	5.38	-57.23
C[C@@H]1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C[C@H](C)[N@@H+]1CCO	REAL300013980260	1	49	0.0	-63.55	358.69	4.84	-58.71
CC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300013980274	0	55	0.0	-60.87	416.03	12.32	-48.55
CC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013980274	1	55	0.0	-59.79	413.34	11.83	-47.96
C[NH+]1C2CCC1CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C2	REAL300013980282	0	46	0.0	-72.69	336.24	8.23	-64.46
CCC1C[N@H+](CC)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980284	0	48	0.0	-72.55	359.22	9.32	-63.23
CCC1C[N@@H+](CC)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980284	1	48	0.0	-64.92	359.19	9.32	-55.60
C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980285	0	57	0.0	-73.60	424.21	11.27	-62.33
C[NH+](C)CCCCCCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980286	0	53	0.0	-76.01	414.73	8.84	-67.17
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[NH+](C)CC1	REAL300013980287	0	48	0.0	-70.32	367.89	7.71	-62.61
COCC[N@@H+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013980288	0	46	0.0	-68.04	361.88	5.61	-62.43
COCC[N@H+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013980288	1	46	0.0	-68.70	364.52	5.36	-63.34
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1	REAL300013980300	0	53	0.0	-65.99	384.63	8.65	-57.34
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1	REAL300013980300	1	53	0.0	-74.88	384.24	8.66	-66.22
CC1CC(N(C)C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013980303	0	58	0.0	-64.70	410.09	11.66	-53.04
CC1CC(N(C)C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013980303	1	58	0.0	-63.06	425.68	12.17	-50.89
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCCC([NH+]2CCCC2)CC1	REAL300013980305	0	52	0.0	-62.06	380.49	10.24	-51.82
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1	REAL300013980310	0	52	0.0	-62.07	378.96	10.71	-51.36
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1	REAL300013980310	1	52	0.0	-70.40	379.46	10.70	-59.70
CN(CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980315	1	57	0.0	-64.11	435.29	10.13	-53.98
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C[NH+]1CCOCC1	REAL300013980316	1	49	0.0	-72.18	377.11	6.00	-66.18
CC(C)C1CCC([NH+]2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013980321	0	61	0.0	-68.33	433.46	11.40	-56.93
CC1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@@H+]1C1CC1	REAL300013980326	0	46	0.0	-63.92	357.91	7.18	-56.74
CC1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@H+]1C1CC1	REAL300013980326	1	46	0.0	-64.78	358.48	7.36	-57.42
CC1C[N@H+](C)CCC1N(C)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980337	0	48	0.0	-75.16	355.57	8.76	-66.40
CC1C[N@@H+](C)CCC1N(C)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980337	1	48	0.0	-74.18	350.89	8.63	-65.55
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C(C)(C)C[NH+](C)C	REAL300013980338	0	50	0.0	-73.50	364.86	7.71	-65.79
CN(CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980371	0	57	0.0	-77.19	435.79	9.62	-67.57
CC[N@H+](CCC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1)CC1CC1	REAL300013980385	0	61	0.0	-78.29	451.59	12.55	-65.74
CC[N@@H+](CCC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1)CC1CC1	REAL300013980385	1	61	0.0	-80.61	451.71	12.56	-68.05
CC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CC(C)(C)O	REAL300013980404	0	52	0.0	-69.08	384.14	6.74	-62.34
CC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CC(C)(C)O	REAL300013980404	1	52	0.0	-63.93	380.46	6.86	-57.07
C[NH+](C)C1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCC1	REAL300013980410	0	45	0.0	-67.20	339.66	6.79	-60.41
O=C([O-])C1=CC=CC=C1CNC(=O)NCC[N@@H+]1CCCOCC1	REAL300013980418	0	46	0.0	-67.69	353.73	5.17	-62.52
O=C([O-])C1=CC=CC=C1CNC(=O)NCC[N@H+]1CCCOCC1	REAL300013980418	1	46	0.0	-70.12	351.02	4.96	-65.16
CN(CC1([NH+](C)C)CCC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980422	0	48	0.0	-67.73	350.71	8.73	-59.00
CC1=[NH+]C=CN1CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980436	1	43	0.0	-67.69	355.84	7.28	-60.41
C[NH+](C)CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300013980449	0	48	0.0	-65.31	395.33	9.48	-55.83
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C[C@H](O)C[NH+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980451	1	46	0.0	-64.56	354.14	5.16	-59.40
C[C@@H](O)C[NH+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980452	1	46	0.0	-70.90	354.17	5.14	-65.76
CC(O)C[N@@H+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C(C)C1	REAL300013980453	0	49	0.0	-73.58	368.73	5.70	-67.88
CC(O)C[N@H+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C(C)C1	REAL300013980453	1	49	0.0	-64.68	368.70	5.68	-59.00
CC1(C)CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CCO	REAL300013980454	0	49	0.0	-63.00	361.49	5.33	-57.67
CC1(C)CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CCO	REAL300013980454	1	49	0.0	-65.00	359.86	5.67	-59.33
CCC(C)[NH+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980482	0	48	0.0	-66.54	357.59	8.72	-57.82
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1	REAL300013980485	0	56	0.0	-81.70	416.16	9.11	-72.59
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980499	0	60	0.0	-61.63	403.08	10.60	-51.03
CC(C)C1C[N@H+](C)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980508	0	48	0.0	-67.36	342.02	7.57	-59.79
CC(C)C1C[N@@H+](C)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980508	1	48	0.0	-74.50	342.85	7.65	-66.85
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC[N@@H+]2CCCC2C1	REAL300013980527	0	46	0.0	-57.34	335.06	9.11	-48.23
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC[N@H+]2CCCC2C1	REAL300013980527	1	46	0.0	-56.72	336.80	9.63	-47.09
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980528	0	55	0.0	-74.40	427.61	6.92	-67.48
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980528	1	55	0.0	-72.08	425.36	6.94	-65.14
C[N@H+](CCCO)C1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980529	0	52	0.0	-76.41	389.90	6.15	-70.26
C[N@@H+](CCCO)C1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980529	1	52	0.0	-78.63	389.91	6.18	-72.45
C[NH+]1CCC(O)(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980537	0	46	0.0	-70.27	356.53	3.97	-66.30
C[NH+](C)CCN(CC1=CC=CO1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980563	0	48	0.0	-78.96	387.32	9.51	-69.45
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300013980585	0	51	0.0	-75.27	398.21	6.70	-68.57
CC[N@H+](CCC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1)CC(C)C	REAL300013980602	0	63	0.0	-78.07	457.12	12.45	-65.62
CC[N@@H+](CCC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1)CC(C)C	REAL300013980602	1	63	0.0	-77.75	457.79	12.42	-65.33
COC(=O)CC[N@@H+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C(C)C1	REAL300013980614	1	51	0.0	-71.47	394.62	9.13	-62.34
COC(=O)CC[N@H+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C(C)C1	REAL300013980614	1	51	0.0	-76.05	392.82	8.90	-67.15
C[NH+](C)CCC1=CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013980638	0	51	0.0	-80.37	410.02	9.44	-70.93
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC([NH2+]C2CCS(=O)(=O)C2)CC1	REAL300013980647	0	52	0.0	-100.16	405.51	4.67	-95.49
C[NH+]1CCC(OC2=CC=C(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300013980674	0	56	0.0	-82.82	438.92	9.28	-73.54
C[N@@H+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1CC1=CC=CC=C1	REAL300013980680	1	52	0.0	-68.94	390.83	10.73	-58.21
C[N@H+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1CC1=CC=CC=C1	REAL300013980680	1	52	0.0	-69.89	390.88	10.73	-59.16
COC1=CC=C(C(C[NH+](C)C)NC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013980684	0	52	0.0	-64.81	410.51	8.10	-56.71
CC[NH+]1CCN(CC(C)(C)NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980705	0	56	0.0	-74.19	410.72	7.79	-66.40
CCN1CC[NH+](CC(C)(C)NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980705	1	56	0.0	-69.61	406.80	7.28	-62.33
CC(C)(C[NH+]1CCCC1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980722	0	48	0.0	-69.28	356.56	8.10	-61.18
CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1	REAL300013980727	0	51	0.0	-79.39	400.15	10.02	-69.37
CC(C)[N@@H+]1CCC(N(C)C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013980728	0	48	0.0	-68.52	360.28	8.68	-59.84
CC(C)[N@H+]1CCC(N(C)C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013980728	1	48	0.0	-68.71	362.60	8.71	-60.00
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980750	0	55	0.0	-62.88	408.13	11.71	-51.17
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980750	1	55	0.0	-69.50	408.51	11.65	-57.85
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013980757	0	53	0.0	-72.46	418.82	6.51	-65.95
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013980757	1	53	0.0	-72.82	419.88	6.75	-66.07
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013980762	1	56	0.0	-72.48	435.75	8.93	-63.55
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013980762	1	56	0.0	-62.07	437.00	9.39	-52.68
C[NH+](C)CCN(CC1CCCO1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980769	0	52	0.0	-61.09	401.67	8.73	-52.36
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980776	1	57	0.0	-65.91	436.38	8.96	-56.95
CC(C)C[N@@H+]1CCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013980796	0	51	0.0	-69.17	391.40	8.18	-60.99
CC(C)C[N@H+]1CCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013980796	1	51	0.0	-70.44	391.27	8.11	-62.33
CC1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013980812	0	52	0.0	-68.18	403.34	9.32	-58.86
CC1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013980812	1	52	0.0	-69.70	411.04	9.78	-59.92
CC1C[N@@H+](C2CC2)CC1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980817	0	46	0.0	-58.44	359.63	7.90	-50.54
CC1C[N@H+](C2CC2)CC1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980817	1	46	0.0	-65.86	363.62	7.56	-58.30
C[NH+](C)CCN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CCCC1	REAL300013980821	0	51	0.0	-66.85	377.55	10.69	-56.16
CC(C)CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH2+]C(C)C1=CC=CC=C1	REAL300013980822	0	60	0.0	-67.43	452.59	10.89	-56.54
CCC(C[NH+]1CCCC1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980823	0	48	0.0	-61.00	365.72	7.75	-53.25
C[N@H+]1CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980838	0	43	0.0	-74.56	343.90	6.72	-67.84
C[N@@H+]1CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013980838	1	43	0.0	-74.48	343.90	6.71	-67.77
CCCC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013980844	0	58	0.0	-70.70	437.63	12.34	-58.36
CCCC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013980844	1	58	0.0	-70.73	438.10	12.35	-58.38
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980845	0	51	0.0	-71.74	402.69	9.81	-61.93
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980845	1	51	0.0	-69.34	402.63	9.77	-59.57
CCN(CCC[NH+](C)C)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980855	0	47	0.0	-65.56	368.17	9.12	-56.44
CCCN(CCC[NH+](C)C)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980863	0	50	0.0	-65.37	389.67	9.88	-55.49
C[NH+](C)CCOCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980864	0	45	0.0	-72.21	361.61	5.19	-67.02
CCN(CCC[NH+](CC)CC)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980870	0	53	0.0	-63.48	403.87	10.48	-53.00
CCN(CCC[NH+]1CCCC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980871	0	51	0.0	-65.64	390.09	10.17	-55.47
CO[C@H]1C[C@@H](CN(C)C(=O)NCC2=CC=CC=C2C(=O)[O-])[N@H+](C)C1	REAL300013980889	0	49	0.0	-60.11	372.57	7.72	-52.39
CO[C@H]1C[C@@H](CN(C)C(=O)NCC2=CC=CC=C2C(=O)[O-])[N@@H+](C)C1	REAL300013980889	1	49	0.0	-72.57	372.62	6.91	-65.66
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C(C1=CC=CC=C1)[NH+](C)C	REAL300013980892	0	51	0.0	-71.97	390.11	8.83	-63.14
CC1=CC=CC=C1C(C(C)NC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+](C)C	REAL300013980893	0	54	0.0	-68.36	402.24	9.94	-58.42
C[N@H+](CCCCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC1	REAL300013980908	0	48	0.0	-71.39	379.50	7.92	-63.47
C[N@@H+](CCCCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC1	REAL300013980908	1	48	0.0	-71.54	379.48	7.91	-63.63
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1	REAL300013980938	1	54	0.0	-70.51	387.43	5.54	-64.97
CC1CC(N(C)C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1C	REAL300013980948	0	48	0.0	-73.09	352.79	8.37	-64.72
CC1CC(N(C)C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1C	REAL300013980948	1	48	0.0	-73.62	353.03	8.42	-65.20
CC1=[NH+]C=CN1CCCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013980957	1	46	0.0	-68.92	377.34	8.06	-60.86
C[NH+](C)C1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC2=CC=CC=C2C1	REAL300013980959	0	52	0.0	-66.12	393.61	9.59	-56.53
CC(C)(O)C[NH+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013981001	0	49	0.0	-68.53	367.61	6.22	-62.31
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013981040	0	56	0.0	-67.11	412.70	5.75	-61.36
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013981079	0	55	0.0	-69.59	435.11	10.66	-58.93
CCC(C)[NH2+]C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CO1	REAL300013981106	0	51	0.0	-61.75	396.84	7.04	-54.71
C[N@@H+]1CCCC(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013981135	0	48	0.0	-74.72	362.83	6.99	-67.73
C[N@H+]1CCCC(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013981135	1	48	0.0	-75.89	362.82	6.98	-68.91
C[NH+](C)CCN(CC1=CSC=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981138	0	48	0.0	-76.50	392.96	10.37	-66.13
CC1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1C	REAL300013981188	0	45	0.0	-69.44	340.05	6.38	-63.06
CC1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1C	REAL300013981188	1	45	0.0	-70.30	347.15	6.69	-63.61
COCCC[N@H+](C)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981191	0	48	0.0	-70.75	380.13	5.42	-65.33
COCCC[N@@H+](C)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981191	1	48	0.0	-70.89	380.12	5.45	-65.44
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C[NH+]1CCN(C)CC1	REAL300013981205	0	53	0.0	-70.29	402.32	5.84	-64.45
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])CN1CC[NH+](C)CC1	REAL300013981205	1	53	0.0	-76.54	402.72	6.03	-70.51
CCN1CC[NH+](CC(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013981206	0	56	0.0	-71.69	420.59	6.64	-65.05
CC[NH+]1CCN(CC(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013981206	1	56	0.0	-72.56	422.78	6.92	-65.64
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013981208	0	60	0.0	-77.09	460.48	11.11	-65.98
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013981208	1	60	0.0	-70.11	466.44	11.46	-58.65
CC(C)[NH+]1CCC(O)(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013981220	0	52	0.0	-67.15	390.84	5.14	-62.01
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981232	0	58	0.0	-73.79	439.47	11.48	-62.31
CN(CCCN1CC[NH+](C)CC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981249	0	53	0.0	-69.16	404.85	7.56	-61.60
CN(CCC[NH+]1CCN(C)CC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981249	1	53	0.0	-64.85	404.47	7.43	-57.42
C[N@@H+]1CCC2C(CCCN2C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013981250	0	49	0.0	-70.50	353.60	8.74	-61.76
C[N@H+]1CCC2C(CCCN2C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013981250	1	49	0.0	-70.71	353.70	8.72	-61.99
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013981257	0	55	0.0	-72.64	428.39	10.28	-62.36
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013981257	1	55	0.0	-72.49	429.61	10.41	-62.08
C[NH+]1CCC(C)(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013981268	0	48	0.0	-72.36	360.59	7.36	-65.00
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CC1CC([NH+]2CCCC2)CN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981324	0	49	0.0	-72.09	373.43	9.20	-62.89
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013981327	0	49	0.0	-71.82	392.50	10.17	-61.65
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013981327	1	49	0.0	-71.72	392.75	10.10	-61.62
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CCCN(CC[NH+]1CCCCC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981335	0	54	0.0	-62.69	405.31	10.81	-51.88
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CC[NH+](CC)CCCC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013981464	0	60	0.0	-77.87	436.08	11.55	-66.32
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CC1C[N@H+](CCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCCO1	REAL300013981500	0	52	0.0	-72.22	395.00	7.12	-65.10
CC1C[N@@H+](CCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCCO1	REAL300013981500	1	52	0.0	-71.46	395.89	6.69	-64.77
CN1CC[NH+](CC2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013981503	0	57	0.0	-77.66	419.73	8.38	-69.28
CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981510	0	48	0.0	-65.09	367.57	7.65	-57.44
CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981510	1	48	0.0	-66.99	367.19	7.13	-59.86
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981519	0	51	0.0	-68.60	405.43	9.97	-58.63
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C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013981601	0	53	0.0	-76.62	396.58	7.99	-68.63
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013981601	1	53	0.0	-77.16	396.14	7.98	-69.18
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CC1=CC=[NH+]C(N2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)=C1	REAL300013981605	1	48	0.0	-59.91	374.73	8.41	-51.50
NC1=CN=[NH+]C(NNC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300013981615	0	36	0.0	-57.05	318.69	3.26	-53.79
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CC1(C)CCC[N@H+](CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013981695	0	51	0.0	-65.69	383.17	7.92	-57.77
CC1(C)CCC[N@@H+](CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013981695	1	51	0.0	-66.06	383.15	7.92	-58.14
C[NH+](C)CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300013981707	0	48	0.0	-66.21	385.00	9.03	-57.18
CC(C)OC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+](C)C)C=C1	REAL300013981718	0	58	0.0	-67.60	447.83	9.41	-58.19
CC(C)CC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+](C)C)C=C1	REAL300013981731	0	60	0.0	-70.51	459.58	11.25	-59.26
CC1C(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013981748	0	52	0.0	-69.37	406.46	10.17	-59.20
CC1C(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013981748	1	52	0.0	-67.55	405.08	9.86	-57.69
C[N@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013981755	0	52	0.0	-74.63	406.22	10.85	-63.78
C[N@@H+](CC1=CC=CC=C1)C1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013981755	1	52	0.0	-72.13	406.17	10.83	-61.30
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O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@@H+](CC2CCCC2)C1	REAL300013981771	1	52	0.0	-69.58	395.52	8.84	-60.74
O=C([O-])C1=CC=CC=C1CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL300013981804	0	56	0.0	-58.72	437.40	7.32	-51.40
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CC[N@@H+]1CCCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013981816	0	45	0.0	-59.19	337.27	8.88	-50.31
CC[N@H+]1CCCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013981816	1	45	0.0	-72.37	337.34	8.89	-63.48
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C1C[N@H+](C)CCO1	REAL300013981826	1	46	0.0	-71.92	359.04	5.37	-66.55
CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C1C[N@@H+](C)CCO1	REAL300013981826	1	46	0.0	-64.60	360.23	5.82	-58.78
CC(CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+]1CCCCC1	REAL300013981835	0	51	0.0	-66.42	380.13	7.93	-58.49
CC(C1CC[NH+](C)CC1)N(C)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981843	0	51	0.0	-66.41	381.37	9.96	-56.45
CC[NH+](CC)CCOCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981856	0	51	0.0	-70.25	393.00	6.26	-63.99
CN1CC[NH+](CC2(C)CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013981862	0	60	0.0	-73.12	426.38	8.51	-64.61
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[NH+](C2CC2)CC1	REAL300013981867	0	49	0.0	-69.34	375.07	8.13	-61.21
CC1=C[NH+]=CC=C1OC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013981879	1	50	0.0	-73.92	392.30	9.01	-64.91
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981899	0	53	0.0	-67.39	386.89	8.11	-59.28
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981899	1	53	0.0	-73.26	388.69	8.32	-64.94
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981900	0	53	0.0	-66.67	388.70	8.33	-58.34
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981900	1	53	0.0	-70.01	386.83	8.11	-61.90
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981911	0	54	0.0	-79.67	434.08	7.25	-72.42
CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981913	0	55	0.0	-65.42	419.53	7.58	-57.84
CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981913	1	55	0.0	-65.07	419.26	7.56	-57.51
CN(CCCN(C)C(=O)NCC1=CC=CC=C1C(=O)[O-])CC[NH+](C)C	REAL300013981913	1	55	0.0	-74.04	419.78	7.74	-66.30
CCCN(CC[NH+]1CCCCCC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981914	0	57	0.0	-61.03	419.83	11.16	-49.87
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C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981920	1	51	0.0	-69.30	402.62	9.77	-59.53
CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981939	0	50	0.0	-70.11	386.66	8.38	-61.73
CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981939	1	50	0.0	-70.66	386.66	8.40	-62.26
CCC[N@H+](C)CC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013981972	0	51	0.0	-73.04	389.01	9.46	-63.58
CCC[N@@H+](C)CC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013981972	1	51	0.0	-73.95	388.94	9.47	-64.48
CC[NH+](CC)C1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013981973	0	48	0.0	-70.31	360.92	8.29	-62.02
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013981981	0	52	0.0	-73.82	402.87	10.29	-63.53
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013981981	1	52	0.0	-73.20	406.85	9.77	-63.43
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981993	0	55	0.0	-67.46	422.22	11.80	-55.66
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013981993	1	55	0.0	-67.40	423.27	11.78	-55.62
CC(C)[NH+]1CCC(N2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013982001	0	60	0.0	-69.34	425.25	8.35	-60.99
CC[N@@H+]1CCC(N(C)C(=O)NCC2=CC=CC=C2C(=O)[O-])C(C)C1	REAL300013982018	0	51	0.0	-71.58	369.25	9.43	-62.15
CC[N@H+]1CCC(N(C)C(=O)NCC2=CC=CC=C2C(=O)[O-])C(C)C1	REAL300013982018	1	51	0.0	-63.29	361.62	8.90	-54.39
CC(C)C[N@@H+]1CCCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013982022	0	54	0.0	-69.93	406.79	8.98	-60.95
CC(C)C[N@H+]1CCCC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013982022	1	54	0.0	-68.20	399.90	8.95	-59.25
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O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300013982028	1	53	0.0	-72.14	393.37	10.44	-61.70
CCC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013982050	0	55	0.0	-65.14	416.62	11.60	-53.54
CCC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013982050	1	55	0.0	-69.83	411.75	11.82	-58.01
C[NH+](C)CC1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCCC1	REAL300013982062	0	51	0.0	-56.97	377.88	8.16	-48.81
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C[C@@H]1C[N@H+](CCN(C)C(=O)NCC2=CC=CC=C2C(=O)[O-])C[C@H](C)O1	REAL300013982100	1	52	0.0	-68.68	400.17	8.32	-60.36
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982101	1	52	0.0	-61.51	392.77	8.16	-53.35
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982101	1	52	0.0	-67.01	392.76	8.15	-58.86
CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982119	0	50	0.0	-63.12	386.79	8.38	-54.74
CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982119	1	50	0.0	-61.42	386.69	8.35	-53.07
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CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982121	1	47	0.0	-67.58	356.48	7.86	-59.72
CCCC[N@H+](C)CC(C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982123	0	50	0.0	-70.15	386.66	8.37	-61.78
CCCC[N@@H+](C)CC(C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982123	1	50	0.0	-70.64	386.66	8.40	-62.24
CC1=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=CC(N2CCCC2)=[NH+]1	REAL300013982131	1	51	0.0	-60.20	407.05	7.30	-52.90
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CC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013982151	0	55	0.0	-71.47	407.36	11.79	-59.68
CC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013982151	1	55	0.0	-64.83	410.05	11.53	-53.30
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982157	0	58	0.0	-75.44	446.14	12.89	-62.55
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982157	1	58	0.0	-71.18	445.38	12.92	-58.26
C[N@@H+]1C2CCC1CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])CC2	REAL300013982174	0	46	0.0	-68.37	326.48	8.01	-60.36
C[N@H+]1C2CCC1CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])CC2	REAL300013982174	1	46	0.0	-57.27	326.27	7.99	-49.28
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CC(C)N(CC[NH+](C)C)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982196	0	47	0.0	-62.70	356.86	8.64	-54.06
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013982203	0	54	0.0	-74.94	417.57	8.64	-66.30
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C[N@@H+]1CCC(O)(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013982226	0	43	0.0	-71.40	341.86	3.02	-68.38
C[N@H+]1CCC(O)(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013982226	1	43	0.0	-68.67	342.08	2.99	-65.68
CCCN(CC[NH+](CC)CC)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982234	0	53	0.0	-62.17	399.55	10.19	-51.98
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982245	0	52	0.0	-68.18	409.96	9.59	-58.59
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982245	1	52	0.0	-72.00	407.39	10.15	-61.85
C[N@@H+]1CCCC(C)(C)C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982270	0	51	0.0	-61.19	367.80	7.83	-53.36
C[N@H+]1CCCC(C)(C)C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982270	1	51	0.0	-68.79	367.49	8.95	-59.84
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CC1CCCC[N@H+]1CC1CCCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013982350	1	58	0.0	-72.50	413.25	11.08	-61.42
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CC(C)[NH+](CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C(C)C	REAL300013982396	0	53	0.0	-67.29	389.30	7.71	-59.58
CC(C)OCC[NH+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013982398	1	52	0.0	-68.72	397.50	8.51	-60.21
CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013982401	0	55	0.0	-64.75	408.88	11.88	-52.87
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CC(CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300013982412	0	54	0.0	-71.59	418.49	9.70	-61.89
CC(CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300013982412	1	54	0.0	-69.68	415.81	9.68	-60.00
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CCC[N@H+](CC)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982422	0	47	0.0	-66.01	364.43	7.05	-58.96
CCC[N@@H+](CC)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982422	1	47	0.0	-66.64	364.42	7.08	-59.56
CC[NH+](CC)CCOC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013982429	0	55	0.0	-74.81	419.93	8.95	-65.86
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CC1CC[NH+](C2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013982451	0	58	0.0	-72.97	427.13	9.85	-63.12
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CC1CC(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013982465	0	58	0.0	-73.51	450.71	10.90	-62.61
CC1CC(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@H+]1CC1=CC=CC=C1	REAL300013982465	1	58	0.0	-74.47	451.61	10.89	-63.58
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982515	0	57	0.0	-66.48	436.54	11.19	-55.29
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982515	1	57	0.0	-74.81	436.84	11.10	-63.71
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CC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+](C2CCC2)C1	REAL300013982577	0	52	0.0	-57.02	384.60	10.15	-46.87
CC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+](C2CCC2)C1	REAL300013982577	1	52	0.0	-57.19	375.51	10.69	-46.50
C[N@@H+]1CCC2(CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])C2)C1	REAL300013982587	0	46	0.0	-79.14	354.50	8.11	-71.03
C[N@H+]1CCC2(CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])C2)C1	REAL300013982587	1	46	0.0	-76.66	351.06	8.12	-68.54
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CC1=CC=CC(CN(CC[NH+](C)C)C(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013982608	0	54	0.0	-77.09	427.08	12.02	-65.07
C[NH+](C)CCOC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013982609	0	52	0.0	-74.88	397.36	8.52	-66.36
CN1CCC([N@@H+]2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300013982611	0	54	0.0	-68.65	407.75	6.09	-62.56
CN1CCC([N@H+]2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300013982611	1	54	0.0	-68.18	407.76	6.08	-62.10
C[NH+]1CCC(N2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300013982611	1	54	0.0	-76.82	407.13	5.99	-70.83
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CC(C)OCC[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013982637	0	55	0.0	-69.17	422.74	7.76	-61.41
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O=C([O-])C1=CC=CC=C1CNC(=O)NCCCCCCC[NH+]1CCCC1	REAL300013982647	0	57	0.0	-74.60	440.69	10.03	-64.57
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982664	0	54	0.0	-72.70	407.92	10.74	-61.96
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982664	1	54	0.0	-70.09	407.06	10.70	-59.39
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CC[N@H+](CCO)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982685	0	45	0.0	-67.18	353.29	3.07	-64.11
CC[N@@H+](CCO)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982685	1	45	0.0	-66.10	352.78	3.08	-63.02
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CN(CC[N@@H+](C)C1CC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982706	1	45	0.0	-61.27	354.12	8.76	-52.51
CC(CC[NH+]1CCN(C)CC1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013982715	0	53	0.0	-64.75	406.60	6.06	-58.69
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CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013983846	1	58	0.0	-65.48	435.90	11.72	-53.76
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CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013983848	0	58	0.0	-67.87	443.63	11.27	-56.60
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CC[NH+](CC)C(C)CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013983995	0	47	0.0	-59.69	348.40	7.51	-52.18
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C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300013984015	0	48	0.0	-66.07	378.53	8.55	-57.52
CC(C)[NH+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C(C)C	REAL300013984016	0	50	0.0	-63.65	368.57	6.94	-56.71
O=C([O-])C1=CC=CC=C1CNC(=O)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013984041	0	57	0.0	-75.82	439.17	8.52	-67.30
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1	REAL300013984042	0	53	0.0	-79.41	394.52	8.53	-70.88
C[NH+](C)CC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013984043	0	48	0.0	-78.35	361.45	9.07	-69.28
C[NH+](C)C1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCCCC1	REAL300013984090	0	51	0.0	-70.70	362.61	8.40	-62.30
CC1CC[NH+](CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013984091	0	54	0.0	-73.19	412.26	8.97	-64.22
CC1CCCC[N@@H+]1CCCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984092	0	54	0.0	-70.40	408.55	8.86	-61.54
CC1CCCC[N@H+]1CCCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984092	1	54	0.0	-71.10	401.78	8.55	-62.55
CC1CCC[N@H+](CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013984093	0	54	0.0	-72.55	412.70	8.97	-63.58
CC1CCC[N@@H+](CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013984093	1	54	0.0	-72.60	412.72	8.97	-63.63
CCN1CC[NH+](CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013984094	0	56	0.0	-73.46	426.48	6.61	-66.85
CC[NH+]1CCN(CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013984094	1	56	0.0	-74.55	425.96	6.59	-67.96
CC1CC(C)C[NH+](CCCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013984096	0	57	0.0	-72.87	433.55	9.56	-63.31
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013984113	1	57	0.0	-69.02	432.33	8.37	-60.65
CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013984115	1	55	0.0	-75.18	428.32	6.20	-68.98
C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013984116	1	56	0.0	-87.01	419.00	8.85	-78.16
C=CC[NH+](CC=C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C(C)C	REAL300013984131	0	55	0.0	-55.45	409.91	9.89	-45.56
COC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+]2CCCC2)C=C1	REAL300013984133	0	56	0.0	-65.56	434.97	9.05	-56.51
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1	REAL300013984134	0	58	0.0	-66.92	404.61	10.27	-56.65
COC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+](C)C)C=C1	REAL300013984135	0	52	0.0	-68.88	408.02	7.84	-61.04
O=C([O-])C1=CC=CC=C1CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300013984152	0	52	0.0	-60.10	399.30	8.62	-51.48
C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CO1	REAL300013984153	1	45	0.0	-69.76	361.44	7.11	-62.65
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1	REAL300013984157	0	56	0.0	-66.47	399.07	7.09	-59.38
C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CS1	REAL300013984163	0	45	0.0	-68.86	371.36	7.68	-61.18
C[NH+](C)C1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCCC1	REAL300013984164	0	48	0.0	-66.75	354.90	7.40	-59.35
O=C([O-])C1=CC=CC=C1CNC(=O)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300013984198	0	49	0.0	-63.65	382.57	7.90	-55.75
CC(C)[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013984199	0	48	0.0	-69.39	361.03	7.16	-62.23
CC(C)(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+]1CCCCC1	REAL300013984207	0	51	0.0	-58.91	373.38	7.95	-50.96
COC1=CC=CC=C1C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[NH+]1CCCC1	REAL300013984214	0	56	0.0	-57.13	427.46	9.76	-47.37
C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])CC1=CC=CC=C1	REAL300013984216	0	51	0.0	-67.44	391.68	9.94	-57.50
C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CC(F)=C1	REAL300013984219	0	48	0.0	-75.13	385.27	8.64	-66.49
CCC1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+](C)C)C=C1	REAL300013984220	0	54	0.0	-66.09	421.43	10.01	-56.08
O=C([O-])C1=CC=CC=C1CNC(=O)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013984223	0	57	0.0	-75.61	442.38	7.98	-67.63
CC[NH+](CC)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300013984224	0	54	0.0	-58.89	408.74	9.17	-49.72
O=C([O-])C1=CC=CC=C1CNC(=O)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300013984225	0	49	0.0	-59.74	388.04	8.39	-51.35
CC(C)C[NH+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013984250	0	48	0.0	-68.23	361.60	9.02	-59.21
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013984254	0	49	0.0	-69.83	390.68	9.17	-60.66
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013984254	1	49	0.0	-69.83	390.77	9.17	-60.66
CC[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013984257	0	45	0.0	-70.41	348.00	6.88	-63.53
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[NH+](CC2CCCO2)CC1	REAL300013984260	1	50	0.0	-68.49	378.83	8.00	-60.49
COC1=CC=CC(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+]2CCCC2)=C1	REAL300013984266	0	56	0.0	-59.29	431.80	9.74	-49.55
C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1Cl	REAL300013984267	1	48	0.0	-59.41	387.78	9.32	-50.09
CC1=CC=CC(C[NH+]2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)=C1	REAL300013984269	1	52	0.0	-71.21	402.74	11.11	-60.10
CC1=CC=CC=C1C[NH+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013984278	1	52	0.0	-72.48	397.60	11.17	-61.31
C[NH+](C)CC1=CC=CC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013984296	0	48	0.0	-78.77	387.56	8.56	-70.21
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@@H+]2CCCC2C1	REAL300013984309	0	46	0.0	-69.05	350.10	7.51	-61.54
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@H+]2CCCC2C1	REAL300013984309	1	46	0.0	-63.36	349.99	7.53	-55.83
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[N@@H+](C2CC2)C1	REAL300013984319	0	46	0.0	-67.06	364.04	7.48	-59.58
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[N@H+](C2CC2)C1	REAL300013984319	1	46	0.0	-69.17	363.93	7.55	-61.62
C[NH+](C)C1(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CCCCCC1	REAL300013984337	0	54	0.0	-69.19	375.52	8.48	-60.71
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984349	0	54	0.0	-65.01	427.03	11.56	-53.45
COCC[N@H+](C)CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984359	0	48	0.0	-71.66	379.02	5.58	-66.08
COCC[N@@H+](C)CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984359	1	48	0.0	-70.72	379.07	5.57	-65.15
CC[NH+](CC)CCN(CC(C)C)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984370	0	56	0.0	-62.46	411.49	11.09	-51.37
CC(C)CC(C[NH+](C)C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984373	0	50	0.0	-72.72	383.10	8.09	-64.63
CN(CC1CCC[N@@H+]1C)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984386	0	45	0.0	-67.14	340.49	9.05	-58.09
CN(CC1CCC[N@H+]1C)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984386	1	45	0.0	-54.08	345.14	8.68	-45.40
C[NH+](C)C1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013984392	0	48	0.0	-75.67	360.32	7.79	-67.88
COCC(C)(C)[NH+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013984410	0	52	0.0	-65.45	383.68	7.49	-57.96
O=C([O-])C1=CC=CC=C1CNC(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300013984436	0	53	0.0	-73.40	409.47	11.18	-62.22
O=C([O-])C1=CC=CC=C1CNC(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300013984436	1	53	0.0	-70.48	403.94	10.79	-59.69
CC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300013984448	0	58	0.0	-72.69	424.38	11.48	-61.21
CC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300013984448	1	58	0.0	-64.69	419.44	11.93	-52.76
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1	REAL300013984457	0	52	0.0	-66.15	394.71	6.82	-59.33
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013984457	1	52	0.0	-65.22	390.61	6.54	-58.68
CC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300013984457	1	52	0.0	-65.22	390.61	6.54	-58.68
C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013984458	0	45	0.0	-73.83	356.47	6.92	-66.91
CCC(C)(C)[NH+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013984467	0	51	0.0	-64.75	366.30	8.77	-55.98
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	REAL300013984475	0	44	0.0	-68.37	336.89	4.14	-64.23
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	REAL300013984475	1	44	0.0	-68.37	336.89	4.14	-64.23
CC(C)C[N@H+](C)CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984477	0	50	0.0	-71.13	385.60	7.83	-63.30
CC(C)C[N@@H+](C)CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984477	1	50	0.0	-71.13	385.60	7.83	-63.30
CC[N@H+](CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CCCCC1	REAL300013984503	0	57	0.0	-70.20	418.45	9.15	-61.05
CC[N@@H+](CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C1CCCCC1	REAL300013984503	1	57	0.0	-70.20	418.45	9.15	-61.05
CCCCC[N@H+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])CC1=CC=CC=C1	REAL300013984505	0	60	0.0	-70.75	454.61	10.90	-59.85
CCCCC[N@@H+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])CC1=CC=CC=C1	REAL300013984505	1	60	0.0	-70.75	454.61	10.90	-59.85
CN1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C(CC2=CC=CC=C2)C1	REAL300013984506	0	52	0.0	-69.31	400.88	11.78	-57.53
C[N@@H+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C(CC2=CC=CC=C2)C1	REAL300013984506	1	52	0.0	-73.98	401.33	11.75	-62.23
C[N@H+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C(CC2=CC=CC=C2)C1	REAL300013984506	1	52	0.0	-73.98	401.33	11.75	-62.23
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CCC[N@@H+]2CCCCC12	REAL300013984531	0	49	0.0	-68.76	365.88	8.73	-60.03
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CCC[N@H+]2CCCCC12	REAL300013984531	1	49	0.0	-68.76	365.88	8.73	-60.03
CN(CC[NH+]1CCCCC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984535	0	48	0.0	-60.55	365.76	9.19	-51.36
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCN(CC2=CC=CC=C2)CC1	REAL300013984548	0	49	0.0	-71.25	381.61	10.51	-60.74
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013984548	1	49	0.0	-71.25	381.61	10.51	-60.74
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984605	0	51	0.0	-66.29	403.03	8.15	-58.14
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013984611	0	55	0.0	-77.57	428.64	11.68	-65.89
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013984611	1	55	0.0	-77.57	428.64	11.68	-65.89
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300013984614	0	54	0.0	-82.17	421.41	8.66	-73.51
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1	REAL300013984637	0	56	0.0	-73.51	417.46	7.54	-65.97
CC(C)(C)[N@@H+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013984652	0	48	0.0	-64.25	361.47	6.99	-57.26
CC(C)(C)[N@H+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013984652	1	48	0.0	-64.25	361.47	6.99	-57.26
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=CN=C1N1CCCC1	REAL300013984665	0	48	0.0	-66.89	373.90	7.76	-59.13
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=C[NH+]=C1N1CCCC1	REAL300013984665	1	48	0.0	-66.89	373.90	7.76	-59.13
C[N@@H+]1CCCC1CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984695	0	45	0.0	-70.80	346.93	6.39	-64.41
C[N@H+]1CCCC1CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984695	1	45	0.0	-70.80	346.93	6.39	-64.41
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984697	0	58	0.0	-65.18	425.67	11.64	-53.54
CC(C[NH+]1CCC(C)CC1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013984700	0	51	0.0	-62.87	388.46	8.69	-54.18
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@@H+](C2CCCCC2)C1	REAL300013984785	0	52	0.0	-66.67	390.49	8.49	-58.18
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC[N@H+](C2CCCCC2)C1	REAL300013984785	1	52	0.0	-66.67	390.49	8.49	-58.18
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1CC[NH+](CC2CC2)CC1	REAL300013984812	0	52	0.0	-72.32	399.43	9.11	-63.21
CN1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013984817	0	57	0.0	-79.77	438.93	8.34	-71.43
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013984817	1	57	0.0	-68.80	439.03	8.36	-60.44
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013984817	1	57	0.0	-68.80	439.03	8.36	-60.44
C[NH+](C)CCCC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CCO1	REAL300013984821	0	52	0.0	-77.76	398.79	8.35	-69.41
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CC1([NH+]2CCCC2)CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013984992	0	52	0.0	-64.82	371.43	9.20	-55.62
CCC1([NH+]2CCCC2)CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013984999	0	55	0.0	-70.00	386.08	9.94	-60.06
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C[NH+]1CCC2(CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013985013	0	52	0.0	-81.41	374.43	9.43	-71.98
CC1([NH+]2CCOCC2)CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013985016	0	53	0.0	-72.89	377.77	7.48	-65.41
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013985021	0	49	0.0	-68.02	377.51	4.74	-63.28
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013985021	1	49	0.0	-70.64	376.73	4.77	-65.87
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985032	0	55	0.0	-67.94	432.62	10.31	-57.63
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985032	1	55	0.0	-74.51	426.42	10.11	-64.40
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O=C([O-])C1=CC=CC=C1CNC(=O)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013985039	1	58	0.0	-72.66	429.39	10.92	-61.74
C[NH+]1CCC(N2C=C(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C=N2)CC1	REAL300013985060	0	49	0.0	-85.73	385.83	7.39	-78.34
O=C([O-])C1=CC=CC=C1CNC(=O)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013985131	0	55	0.0	-66.78	419.97	10.67	-56.11
O=C([O-])C1=CC=CC=C1CNC(=O)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013985131	1	55	0.0	-63.21	410.78	9.99	-53.22
C[N@@H+]1CCC2CN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CCC21	REAL300013985132	0	46	0.0	-69.90	348.37	8.37	-61.53
C[N@H+]1CCC2CN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CCC21	REAL300013985132	1	46	0.0	-74.35	343.86	8.10	-66.25
O=C([O-])C1=CC=CC=C1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300013985142	0	55	0.0	-64.08	410.87	10.00	-54.08
O=C([O-])C1=CC=CC=C1CNC(=O)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300013985142	1	55	0.0	-64.83	419.78	10.65	-54.18
CN1CC[NH+](C2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013985144	0	54	0.0	-72.59	397.49	7.41	-65.18
C[NH+]1CCN(C2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013985144	1	54	0.0	-77.43	394.88	7.37	-70.06
C[N@@H+]1CC2=CC=CC=C2C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985147	1	46	0.0	-67.38	369.66	8.44	-58.94
C[N@H+]1CC2=CC=CC=C2C1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985147	1	46	0.0	-71.82	363.50	7.86	-63.96
CC(C)[C@H]1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1C	REAL300013985153	0	48	0.0	-63.88	352.68	8.59	-55.29
CC(C)[C@H]1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1C	REAL300013985153	1	48	0.0	-67.16	350.54	8.27	-58.89
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013985159	1	56	0.0	-72.77	436.33	8.78	-63.99
CC1=CC=CC=C1C[N@H+]1CCOC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013985159	1	56	0.0	-75.13	435.93	8.87	-66.26
C[NH+](C)C1(C)CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013985164	0	51	0.0	-74.14	365.52	7.81	-66.33
CC1=CC=C(C[N@@H+]2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C2)C=C1	REAL300013985183	0	52	0.0	-71.38	411.42	9.77	-61.61
CC1=CC=C(C[N@H+]2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C2)C=C1	REAL300013985183	1	52	0.0	-71.75	411.89	9.84	-61.91
CO[C@H]1C[C@@H](CNC(=O)NCC2=CC=CC=C2C(=O)[O-])N(C2=CC(C)=[NH+]C=N2)C1	REAL300013985196	1	54	0.0	-66.69	428.40	7.01	-59.68
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985199	0	58	0.0	-68.02	436.84	12.34	-55.68
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985199	1	58	0.0	-61.68	427.86	12.06	-49.62
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985201	0	57	0.0	-61.14	418.61	11.46	-49.68
CN1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC2=CC=C[NH+]=C21	REAL300013985215	1	45	0.0	-66.02	343.78	6.68	-59.34
CN(CCCC[NH+]1CCCCC1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985236	0	54	0.0	-67.50	408.76	10.76	-56.74
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CCC[N@H+](CCN2CCOCC2)C1	REAL300013985238	0	58	0.0	-73.84	432.31	5.84	-68.00
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CCC[N@@H+](CCN2CCOCC2)C1	REAL300013985238	1	58	0.0	-75.22	436.34	5.30	-69.92
CCC1=CC=C(C[NH+]2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)C=C1	REAL300013985256	1	55	0.0	-71.25	424.22	11.88	-59.37
C[NH+]1CCN(C2=CC=C(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300013985260	0	54	0.0	-79.59	421.30	7.76	-71.83
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013985263	1	52	0.0	-65.61	396.58	11.14	-54.47
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013985264	0	56	0.0	-77.44	399.76	6.39	-71.05
CCC1([NH+]2CCCCC2)CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013985272	0	58	0.0	-69.10	401.29	10.61	-58.49
C[N@@H+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1(C)C	REAL300013985284	0	45	0.0	-65.89	333.21	7.97	-57.92
C[N@H+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1(C)C	REAL300013985284	1	45	0.0	-70.19	333.29	7.99	-62.20
C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)C[C@H](C)O1	REAL300013985288	0	59	0.0	-81.55	430.54	10.03	-71.52
C[C@@H]1C[N@H+](CC2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)C[C@H](C)O1	REAL300013985288	1	59	0.0	-81.55	436.84	10.02	-71.53
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985297	0	58	0.0	-65.46	426.12	11.95	-53.51
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985297	1	58	0.0	-65.66	437.85	12.36	-53.30
CC1([NH+]2CCCCC2)CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013985365	0	55	0.0	-70.27	386.68	9.90	-60.37
C[C@]12CN(C(=O)NCC3=CC=CC=C3C(=O)[O-])C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300013985367	0	56	0.0	-72.36	429.60	12.34	-60.02
C[C@]12CN(C(=O)NCC3=CC=CC=C3C(=O)[O-])C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300013985367	1	56	0.0	-80.46	431.59	11.61	-68.85
CCOC(CNC(=O)NCC1=CC=CC=C1C(=O)[O-])C[NH+](C)C	REAL300013985404	0	48	0.0	-70.22	378.38	5.91	-64.31
CC[N@@H+]1CCCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CCOCC1	REAL300013985444	0	52	0.0	-70.80	383.14	8.13	-62.67
CC[N@H+]1CCCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CCOCC1	REAL300013985444	1	52	0.0	-73.29	375.86	8.22	-65.07
C[N@@H+]1CC(O)CC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985449	0	43	0.0	-70.59	337.45	2.33	-68.26
C[N@H+]1CC(O)CC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985449	1	43	0.0	-62.03	339.00	2.85	-59.18
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CCC[N@@H+]2CCSCC12	REAL300013985455	0	47	0.0	-69.83	365.14	8.44	-61.39
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CCC[N@H+]2CCSCC12	REAL300013985455	1	47	0.0	-72.79	369.53	7.91	-64.88
CN(C)C1=CC=[NH+]C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300013985487	0	44	0.0	-59.37	358.76	5.63	-53.74
CC1([NH+]2CCCC2)CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013985514	0	55	0.0	-70.60	396.59	8.53	-62.07
CCC1([NH+]2CCC2)CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013985518	0	52	0.0	-71.77	371.79	9.41	-62.36
O=C([O-])C1=CC=CC=C1CNC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300013985525	0	56	0.0	-79.89	423.77	12.23	-67.66
O=C([O-])C1=CC=CC=C1CNC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300013985525	1	56	0.0	-79.80	427.55	11.84	-67.96
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985539	0	48	0.0	-70.96	367.79	7.28	-63.68
C[NH+](C)CCC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CN=C1	REAL300013985556	0	50	0.0	-79.67	402.11	8.22	-71.45
CC1=CC=C(NCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+]=C1	REAL300013985582	1	44	0.0	-65.76	363.73	5.80	-59.96
CC1=CC=CC(NCCNC(=O)NCC2=CC=CC=C2C(=O)[O-])=[NH+]1	REAL300013985583	1	44	0.0	-64.40	363.66	5.76	-58.64
CC(C)CC1C[N@H+](C)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985597	0	51	0.0	-66.24	366.62	8.85	-57.39
CC(C)CC1C[N@@H+](C)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985597	1	51	0.0	-65.75	373.71	9.35	-56.40
C[N@@H+]1C[C@@H]2CN(C(=O)NCC3=CC=CC=C3C(=O)[O-])C[C@]2(C)C1	REAL300013985630	0	46	0.0	-74.89	353.26	8.09	-66.80
C[N@H+]1C[C@@H]2CN(C(=O)NCC3=CC=CC=C3C(=O)[O-])C[C@]2(C)C1	REAL300013985630	1	46	0.0	-70.13	351.32	8.65	-61.48
NC1=[NH+]C(C2CC2)=NC(N2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013985641	1	52	0.0	-61.98	412.46	10.46	-51.52
NC1=NC(C2CC2)=[NH+]C(N2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)=N1	REAL300013985641	1	52	0.0	-58.90	411.17	10.39	-48.51
CC1([NH+]2CCC2)CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013985716	0	52	0.0	-73.06	377.28	8.30	-64.76
CC[NH+](CC)CC(CC)(CC)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985719	0	56	0.0	-60.22	383.89	10.11	-50.11
C[N@@H+]1CC2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])CC2C1	REAL300013985757	0	49	0.0	-78.48	373.58	7.73	-70.75
C[N@H+]1CC2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])CC2C1	REAL300013985757	1	49	0.0	-78.63	373.56	7.73	-70.90
C[N@@H+]1CCCCC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985793	0	45	0.0	-60.50	337.89	6.60	-53.90
C[N@H+]1CCCCC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985793	1	45	0.0	-65.65	337.90	6.59	-59.06
CC[N@@H+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1(C)C	REAL300013985822	0	48	0.0	-65.53	351.05	8.61	-56.92
CC[N@H+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1(C)C	REAL300013985822	1	48	0.0	-62.64	351.05	8.62	-54.02
CC1([NH+]2CCOCC2)CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013985840	0	56	0.0	-73.45	398.43	7.21	-66.24
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC2C1CCC[N@H+]2CCO	REAL300013985849	0	50	0.0	-73.85	364.98	5.39	-68.46
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC2C1CCC[N@@H+]2CCO	REAL300013985849	1	50	0.0	-73.91	376.24	5.59	-68.32
CN(CC(C)(C)C[NH+](C)C)C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985851	0	50	0.0	-68.31	363.18	8.87	-59.44
CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985855	0	50	0.0	-72.78	383.10	8.11	-64.67
CN(C)C1=CC=C(C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[NH+](C)C)C=C1	REAL300013985875	0	56	0.0	-61.10	427.70	9.88	-51.22
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013985876	0	58	0.0	-76.48	437.32	10.92	-65.56
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C[C@@H]1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013985942	1	52	0.0	-70.23	398.16	10.97	-59.26
CCC(C)[NH+]1CCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013985943	0	51	0.0	-68.01	379.50	7.97	-60.04
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CCN1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+](CC)CC1	REAL300013986001	1	56	0.0	-70.13	390.58	7.65	-62.48
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CCC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+](C)C1	REAL300013986030	0	48	0.0	-62.61	358.82	9.44	-53.17
CCC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+](C)C1	REAL300013986030	1	48	0.0	-74.35	353.29	9.15	-65.20
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013986031	0	59	0.0	-65.32	423.57	6.78	-58.54
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CC[NH+](CC)CCC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300013986038	0	57	0.0	-73.29	438.53	11.12	-62.17
CC(CC1CCCC[N@@H+]1C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013986049	0	51	0.0	-67.04	378.22	8.16	-58.88
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COC(=O)[C@]12CN(C(=O)NCC3=CC=CC=C3C(=O)[O-])C[C@H]1C[N@@H+](C)CC2	REAL300013986078	1	52	0.0	-90.73	399.31	8.56	-82.17
CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[NH+](C(C)(C)C)CC1	REAL300013986099	0	54	0.0	-68.38	390.14	9.66	-58.72
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CC1(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300013986152	0	52	0.0	-72.54	404.25	9.42	-63.12
CC1(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013986152	1	52	0.0	-69.47	403.70	9.40	-60.07
CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CCC[N@H+](C)C1	REAL300013986176	0	45	0.0	-65.80	343.42	8.25	-57.55
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CC[N@@H+]1CCOC(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013986200	1	46	0.0	-74.80	353.80	4.83	-69.97
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CC1C[N@@H+]2CCCCC2CN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013986270	0	49	0.0	-70.19	362.79	9.38	-60.81
CC1C[N@H+]2CCCCC2CN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013986270	1	49	0.0	-65.48	362.81	9.37	-56.11
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CC1CC[N@H+](CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013986306	0	45	0.0	-67.16	352.45	6.67	-60.49
CC1CC[N@@H+](CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013986306	1	45	0.0	-66.73	353.47	6.73	-60.00
CC1CCC[N@@H+]1CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013986307	0	45	0.0	-64.78	352.28	6.69	-58.09
CC1CCC[N@H+]1CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013986307	1	45	0.0	-65.01	346.40	6.41	-58.60
CC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013986309	1	52	0.0	-65.36	393.96	11.13	-54.23
CC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1CC1=CC=CC=C1	REAL300013986309	1	52	0.0	-69.43	393.91	11.13	-58.30
CC[NH+](CC)CC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013986310	0	51	0.0	-71.35	381.14	9.13	-62.22
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CN(CCC[NH+](C)C)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013986331	0	52	0.0	-76.72	402.15	5.35	-71.37
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CCN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[N@H+](CC)C1	REAL300013986359	0	48	0.0	-63.58	363.26	8.99	-54.59
CCN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[N@@H+](CC)C1	REAL300013986359	1	48	0.0	-60.77	363.07	9.21	-51.56
C[NH+](C)CCN1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1=O	REAL300013986373	0	49	0.0	-77.07	383.06	7.40	-69.67
CC(C)C1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1CC1=CC=CC=C1	REAL300013986382	0	58	0.0	-68.74	421.15	11.68	-57.06
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CC[NH+]1CCC(N2CCCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013986406	0	60	0.0	-65.74	430.83	9.84	-55.90
CCN1CCC([N@@H+]2CCCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013986406	1	60	0.0	-62.47	428.22	9.35	-53.12
CCN1CCC([N@H+]2CCCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300013986406	1	60	0.0	-72.85	426.61	9.17	-63.68
CCC[N@H+](C)CC(C)(C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013986418	0	50	0.0	-65.44	369.98	8.55	-56.89
CCC[N@@H+](C)CC(C)(C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013986418	1	50	0.0	-70.13	370.65	8.58	-61.55
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CCCN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[N@H+](C)C1	REAL300013986444	0	48	0.0	-65.70	365.60	9.12	-56.58
CCCN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[N@@H+](C)C1	REAL300013986444	1	48	0.0	-59.16	365.08	9.02	-50.14
CCN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[N@H+](C)C1	REAL300013986445	0	45	0.0	-55.15	343.39	8.49	-46.66
CCN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CC[N@@H+](C)C1	REAL300013986445	1	45	0.0	-59.17	343.59	8.27	-50.90
COC(=O)C1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+](C)C1	REAL300013986473	0	48	0.0	-73.19	370.60	8.50	-64.69
COC(=O)C1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+](C)C1	REAL300013986473	1	48	0.0	-71.01	370.19	8.50	-62.51
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CC(C)[NH+]1CCN(C2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300013986479	0	57	0.0	-75.86	418.73	7.69	-68.17
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CC1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013986613	0	49	0.0	-74.59	390.03	7.84	-66.75
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COC1CC2CN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC3=CC=C[NH+]=C3N2C1	REAL300013986649	1	53	0.0	-71.30	405.93	7.95	-63.35
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1	REAL300013986664	1	49	0.0	-55.21	373.18	8.99	-46.22
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NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013986675	1	49	0.0	-72.67	389.66	3.69	-68.98
C[N@@H+]1C[C@@H](CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[C@H](C2=CC=CC=C2)C1	REAL300013986684	0	52	0.0	-69.89	409.58	9.50	-60.39
C[N@H+]1C[C@@H](CNC(=O)NCC2=CC=CC=C2C(=O)[O-])[C@H](C2=CC=CC=C2)C1	REAL300013986684	1	52	0.0	-71.53	410.93	9.49	-62.04
C[NH+](C)CC1=C2CN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CCN2N=C1	REAL300013986722	0	49	0.0	-62.52	384.73	8.19	-54.33
C[N@@H+]1CC2CCC(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C2C1	REAL300013986759	0	46	0.0	-75.43	349.89	7.39	-68.04
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C[NH+]1CC23CN(C(=O)NCC4=CC=CC=C4C(=O)[O-])CC2(C1)CCCC3	REAL300013986808	0	53	0.0	-75.61	388.89	9.47	-66.14
C[NH+](C)CC1=CC=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300013986857	0	45	0.0	-75.74	378.43	7.84	-67.90
O=C([O-])C1=CC=CC=C1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300013986920	0	50	0.0	-66.22	375.66	6.31	-59.91
C[NH+]1CCN(C2=CC=C(CCNC(=O)NCC3=CC=CC=C3C(=O)[O-])C=C2)CC1	REAL300013986922	0	57	0.0	-79.67	442.81	8.53	-71.14
CC[NH+](CC)CCC(C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013986928	0	50	0.0	-72.48	384.38	8.08	-64.40
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300013986963	0	53	0.0	-50.30	397.75	10.80	-39.50
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300013986963	1	53	0.0	-55.92	407.51	11.76	-44.16
CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])[C@@H]1C[N@H+](C)C[C@H]1O	REAL300013986964	0	43	0.0	-77.49	335.70	4.08	-73.41
CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300013986964	1	43	0.0	-79.32	335.88	4.09	-75.23
COC(=O)C1CC([NH+](C)C)CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013986990	0	51	0.0	-52.76	389.20	9.20	-43.56
CC1([NH+]2CCOCC2)CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013986996	1	50	0.0	-69.88	371.52	6.96	-62.92
CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C(C[NH+](C)C)C1=CC=CC=C1	REAL300013987006	0	51	0.0	-75.48	392.61	11.86	-63.62
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987010	0	43	0.0	-73.01	345.06	4.52	-68.49
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987010	1	43	0.0	-71.45	345.01	4.50	-66.95
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987018	0	43	0.0	-68.59	329.58	7.66	-60.93
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987018	1	43	0.0	-66.34	332.03	7.87	-58.47
CCC[NH+](CCC)CCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987072	0	50	0.0	-67.87	381.45	7.51	-60.36
C[N@@H+]1CC[C@@H](NC(=O)NCC2=CC=CC=C2C(=O)[O-])[C@@H]1C1=CC=CC=C1	REAL300013987083	0	49	0.0	-70.99	380.66	8.41	-62.58
C[N@H+]1CC[C@@H](NC(=O)NCC2=CC=CC=C2C(=O)[O-])[C@@H]1C1=CC=CC=C1	REAL300013987083	1	49	0.0	-71.13	388.38	9.19	-61.94
CC[N@H+](C)C1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013987085	0	45	0.0	-70.43	347.23	7.91	-62.52
CC[N@@H+](C)C1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013987085	1	45	0.0	-70.80	347.26	7.93	-62.87
CC[N@H+](C)CC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013987101	0	51	0.0	-76.90	379.24	9.76	-67.14
CC[N@@H+](C)CC1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013987101	1	51	0.0	-77.35	379.35	9.75	-67.60
C[C@@H]1C[C@H](NC(=O)NCC2=CC=CC=C2C(=O)[O-])C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300013987125	0	58	0.0	-68.70	426.33	10.04	-58.66
C[C@@H]1C[C@H](NC(=O)NCC2=CC=CC=C2C(=O)[O-])C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300013987125	1	58	0.0	-68.30	425.69	10.13	-58.17
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C2	REAL300013987141	0	49	0.0	-74.53	359.85	7.34	-67.19
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCC1=CC=CC=C1C(=O)[O-])C2	REAL300013987141	1	49	0.0	-73.16	356.71	7.78	-65.38
C[N@@H+]1CC[C@@H](NC(=O)NCC2=CC=CC=C2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300013987148	1	49	0.0	-74.13	397.39	8.93	-65.20
C[N@H+]1CC[C@@H](NC(=O)NCC2=CC=CC=C2C(=O)[O-])[C@@H]1C1=CC=C(Cl)C=C1	REAL300013987148	1	49	0.0	-73.59	405.12	9.71	-63.88
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C[N@H+]1CCC2=C(C=C(CNC(=O)NCC3=CC=CC=C3C(=O)[O-])C(=O)N2)C1	REAL300013987222	1	49	0.0	-104.48	394.32	5.80	-98.68
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C2	REAL300013987230	1	48	0.0	-64.49	376.64	8.65	-55.84
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C2	REAL300013987256	1	48	0.0	-64.49	376.64	8.65	-55.84
CCC[N@@H+]1CCCCC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987258	0	51	0.0	-61.63	382.49	8.51	-53.12
CCC[N@H+]1CCCCC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987258	1	51	0.0	-68.32	378.47	7.82	-60.50
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300013987279	1	48	0.0	-73.86	392.20	8.20	-65.66
C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987316	1	50	0.0	-71.52	371.15	7.47	-64.05
CC1=[NH+]C=C(CNC(=O)NCC2=CC=CC=C2C(=O)[O-])C(N)=N1	REAL300013987332	1	40	0.0	-62.20	336.03	3.90	-58.30
C[N@@H+]1CC[C@@H](NC(=O)NCC2=CC=CC=C2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300013987356	0	49	0.0	-75.09	387.06	8.48	-66.61
C[N@H+]1CC[C@@H](NC(=O)NCC2=CC=CC=C2C(=O)[O-])[C@@H]1C1=CC=C(F)C=C1	REAL300013987356	1	49	0.0	-74.55	394.80	9.25	-65.30
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300013987386	0	50	0.0	-67.99	367.91	9.71	-58.28
CC1=C[NH+]=CC=C1N1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013987398	0	48	0.0	-68.17	377.92	8.02	-60.15
CCCC1=[NH+]C=CN1CCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987458	1	49	0.0	-67.32	394.47	8.53	-58.79
C=CC[N@H+]1CCCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013987479	0	46	0.0	-72.82	351.65	9.42	-63.40
C=CC[N@@H+]1CCCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013987479	1	46	0.0	-58.23	350.37	9.41	-48.82
C[NH+]1CC23CCCC2(CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C3)C1	REAL300013987486	0	50	0.0	-87.14	372.28	8.86	-78.28
O=C([O-])C1=CC=CC=C1CNC(=O)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300013987495	0	49	0.0	-58.97	391.87	9.40	-49.57
CC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@@H+]1C1CC1	REAL300013987530	1	46	0.0	-62.90	346.31	8.95	-53.95
CC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC[N@H+]1C1CC1	REAL300013987530	1	46	0.0	-66.57	352.54	8.76	-57.81
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987577	0	46	0.0	-78.20	359.84	5.08	-73.12
C[NH+](C)CCCCCCNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987579	0	50	0.0	-75.46	393.23	8.06	-67.40
C[N@@H+]1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC12CCC2	REAL300013987581	0	46	0.0	-65.10	353.77	6.95	-58.15
C[N@H+]1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC12CCC2	REAL300013987581	1	46	0.0	-64.93	351.22	6.88	-58.05
C[NH+](C)C1CCCCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013987611	0	48	0.0	-63.22	354.55	9.10	-54.12
O=C([O-])C1=CC=CC=C1CNC(=O)NCCCN1C=[NH+]C2=C1CCCC2	REAL300013987620	1	50	0.0	-67.25	398.96	9.78	-57.47
C[N@@H+]1C[C@@H]2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])[C@@H]2C1	REAL300013987627	0	43	0.0	-71.10	332.53	7.78	-63.32
C[N@H+]1C[C@@H]2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])[C@@H]2C1	REAL300013987627	1	43	0.0	-72.06	329.77	7.61	-64.45
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987628	0	43	0.0	-63.78	339.41	4.35	-59.43
O=C([O-])C1=CC=CC=C1CNC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300013987643	0	52	0.0	-69.09	390.32	8.74	-60.35
O=C([O-])C1=CC=CC=C1CNC(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300013987643	1	52	0.0	-68.01	387.54	9.27	-58.74
O=C([O-])C1=CC=CC=C1CNC(=O)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300013987650	0	56	0.0	-61.95	429.68	10.49	-51.46
O=C([O-])C1=CC=CC=C1CNC(=O)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300013987650	1	56	0.0	-62.88	430.83	10.51	-52.37
C[N@@H+]1CC2CC1CC2NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987663	0	43	0.0	-70.40	332.55	6.53	-63.87
C[N@H+]1CC2CC1CC2NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987663	1	43	0.0	-72.64	324.29	6.99	-65.65
CCC1=[NH+]C=CN1CC(C)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013987681	1	46	0.0	-54.81	375.93	7.95	-46.86
CC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300013987686	0	58	0.0	-65.41	429.72	12.27	-53.14
CC1CN(C(=O)NCC2=CC=CC=C2C(=O)[O-])C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300013987686	1	58	0.0	-72.92	428.09	12.87	-60.05
CC[N@@H+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC12CCOC2	REAL300013987788	1	50	0.0	-66.63	366.13	7.19	-59.44
CC[N@H+]1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC12CCOC2	REAL300013987788	1	50	0.0	-71.14	366.14	7.14	-64.00
O=C([O-])C1=CC=CC=C1CNC(=O)N[C@@H]1COC[C@H]1[NH+]1CCCC1	REAL300013987827	0	47	0.0	-61.65	365.79	5.53	-56.12
CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])[C@H](C[NH+]1CCCC1)C1=CC=CC=C1	REAL300013987843	0	55	0.0	-73.56	415.70	12.79	-60.77
CN(C(=O)NCC1=CC=CC=C1C(=O)[O-])C1CCN(C2=CC=[NH+]C=C2)C1	REAL300013987894	0	48	0.0	-77.67	375.50	7.22	-70.45
CC(C)(C)[N@@H+]1CCCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013987904	0	51	0.0	-63.81	373.14	8.12	-55.69
CC(C)(C)[N@H+]1CCCC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C1	REAL300013987904	1	51	0.0	-63.80	377.17	7.58	-56.22
CN(C)C1=CC=C(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=[NH+]1	REAL300013987948	1	47	0.0	-66.15	381.52	7.62	-58.53
C[N@@H+]1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC12CCCC2	REAL300013987949	0	49	0.0	-65.90	364.71	7.51	-58.39
C[N@H+]1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC12CCCC2	REAL300013987949	1	49	0.0	-64.07	366.55	7.61	-56.46
C[N@@H+]1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC12CCOCC2	REAL300013987991	0	50	0.0	-60.85	372.80	5.53	-55.32
C[N@H+]1CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])CC12CCOCC2	REAL300013987991	1	50	0.0	-59.62	372.44	5.71	-53.91
O=C([O-])C1=CC=CC=C1CNC(=O)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300013988012	1	53	0.0	-62.66	383.37	8.33	-54.33
CC1=CC=C(C[NH+]2CCN(C(=O)NCC3=CC=CC=C3C(=O)[O-])CC2)C=C1	REAL300013988016	1	52	0.0	-67.47	402.99	11.18	-56.29
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013988027	0	49	0.0	-68.98	364.51	5.39	-63.59
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013988027	1	49	0.0	-61.95	361.38	5.79	-56.16
CC(C)[N@H+](C)C1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013988042	0	51	0.0	-73.85	370.15	9.07	-64.78
CC(C)[N@@H+](C)C1CCN(C(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013988042	1	51	0.0	-68.30	369.60	9.02	-59.28
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CC1(C)CC(NC(=O)NCC2=CC=CC=C2C(=O)[O-])C[N@@H+]1CC1=CC=CC=C1	REAL300013988293	0	55	0.0	-65.99	422.72	9.83	-56.16
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C[NH+](C)CC1=CC=C(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300013988321	0	51	0.0	-77.72	409.05	9.36	-68.36
O=C([O-])C1=CC=CC=C1CNC(=O)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300013988327	0	55	0.0	-73.52	416.42	10.36	-63.16
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CCC[N@@H+](CCNC(=O)NCC1=CC=CC=C1C(=O)[O-])C(C)C	REAL300013988369	1	50	0.0	-65.70	374.01	7.22	-58.48
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C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013988405	0	45	0.0	-68.67	351.24	7.24	-61.43
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CC1=CC=CC=C1[C@@H](C)NC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013988444	1	48	0.0	-36.00	364.97	7.61	-28.39
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CC(C)[NH+]1CCC(CCNC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300013988481	0	54	0.0	-74.34	407.54	8.30	-66.04
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CC(C)[NH+]1CCC(CCNC(=O)NCCCCC(=O)[O-])CC1	REAL300013988484	0	53	0.0	-73.39	391.27	6.99	-66.40
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CC(C)[NH+]1CCC(CCNC(=O)NCCCCCC(=O)[O-])CC1	REAL300013988486	0	56	0.0	-72.42	412.77	7.77	-64.65
CC(C)[NH+]1CCC(CCNC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300013988487	0	53	0.0	-73.65	383.12	6.87	-66.78
CC(C)[NH+]1CCC(CCNC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300013988488	0	54	0.0	-76.20	391.41	8.55	-67.65
CC(C)[NH+]1CCC(CCNC(=O)N2CC(C)CC(C(=O)[O-])C2)CC1	REAL300013988489	0	57	0.0	-75.85	405.11	9.26	-66.59
CC(C)[NH+]1CCC(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013988490	0	57	0.0	-73.59	397.08	8.96	-64.63
CC(C)[NH+]1CCC(CCNC(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300013988491	0	57	0.0	-75.43	399.68	9.12	-66.31
CC(C)[NH+]1CCC(CCNC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300013988492	0	58	0.0	-66.12	409.86	6.36	-59.76
CC(C)[NH+]1CCC(CCNC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300013988493	0	56	0.0	-69.78	402.47	7.07	-62.71
CCC(CC)(CNC(=O)NCCC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300013988494	0	59	0.0	-65.49	415.37	7.89	-57.60
CC(C)C(CNC(=O)NCCC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300013988495	0	56	0.0	-66.09	405.56	7.35	-58.74
CC(C)[NH+]1CCC(CCNC(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1	REAL300013988496	0	63	0.0	-74.52	446.25	9.00	-65.52
CC(C)[NH+]1CCC(CCNC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300013988497	0	60	0.0	-67.60	438.64	9.53	-58.07
CC(C)[NH+]1CCC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300013988498	0	54	0.0	-66.66	394.84	7.69	-58.97
CC(C)[NH+]1CCC(CCNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300013988499	0	60	0.0	-73.15	424.29	10.12	-63.03
CC(C)[NH+]1CCC(CCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300013988500	0	56	0.0	-72.74	401.91	6.84	-65.90
CC(C)[NH+]1CCC(CCNC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300013988501	0	57	0.0	-66.37	408.24	8.24	-58.13
CC(C)[NH+]1CCC(CCNC(=O)N2CCC(C(=O)[O-])C(C)C2)CC1	REAL300013988502	0	57	0.0	-69.10	396.85	9.40	-59.70
CC(C)[NH+]1CCC(CCNC(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300013988503	0	54	0.0	-64.45	391.16	7.40	-57.05
CC(C)[NH+]1CCC(CCNC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300013988504	0	57	0.0	-72.58	415.27	8.18	-64.40
CC(C)[NH+]1CCC(CCNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300013988505	0	57	0.0	-73.59	397.08	8.96	-64.63
CC(C)C[C@H](CNC(=O)NCCC1CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300013988506	0	62	0.0	-70.18	436.29	8.57	-61.61
CC(C)[NH+]1CCC(CCNC(=O)NCC2=CC=CC=C2C(=O)[O-])CC1	REAL300013988507	0	54	0.0	-72.26	401.16	8.40	-63.86
COCC1(C(=O)[O-])CCN(C(=O)NCCC2CC[NH+](C(C)C)CC2)C1	REAL300013988508	0	58	0.0	-75.04	421.49	7.38	-67.66
CC(C)[NH+]1CCC(CCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013988509	0	51	0.0	-69.14	378.57	7.00	-62.14
CC(C)[NH+]1CCC(CCNC(=O)NC2CCN(CC(=O)[O-])CC2)CC1	REAL300013988510	0	59	0.0	-70.98	423.28	5.84	-65.14
CC(C)[NH+]1CCC(CCNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013988511	0	54	0.0	-60.86	387.35	8.89	-51.97
CC(C)[NH+]1CCC(CCNC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300013988512	0	54	0.0	-75.17	387.92	8.92	-66.25
CC(C)[NH+]1CCC(CCNC(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300013988513	0	51	0.0	-71.10	374.71	6.82	-64.28
CC(C)[NH+]1CCC(CCNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300013988514	0	51	0.0	-70.72	374.72	6.82	-63.90
CC(C)[NH+]1CCC(CCNC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300013988515	0	54	0.0	-75.41	407.54	8.29	-67.12
CCC(CNC(=O)NCCC1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300013988516	0	53	0.0	-63.75	383.85	7.08	-56.67
CC(C)[NH+]1CCC(CCNC(=O)N2CCCCC2CCC(=O)[O-])CC1	REAL300013988517	0	60	0.0	-78.87	417.62	10.07	-68.80
CC(C)[NH+]1CCC(CCNC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300013988518	0	62	0.0	-74.33	455.76	9.33	-65.00
CC(C)[NH+]1CCC(CCNC(=O)NCCCCCCC(=O)[O-])CC1	REAL300013988519	0	59	0.0	-74.90	434.26	8.55	-66.35
CC(C)[NH+]1CCC(CCNC(=O)N(C)CCCC(=O)[O-])CC1	REAL300013988520	0	53	0.0	-74.62	387.40	8.59	-66.03
CC(C)[NH+]1CCC(CCNC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300013988521	0	57	0.0	-76.50	399.11	9.44	-67.06
COCC1(C(=O)[O-])CCCN(C(=O)NCCC2CC[NH+](C(C)C)CC2)C1	REAL300013988522	0	61	0.0	-79.53	430.63	9.21	-70.32
COCCN(CCC(=O)[O-])C(=O)NCCC1CC[NH+](C(C)C)CC1	REAL300013988523	0	57	0.0	-60.67	419.09	7.95	-52.72
CC(C)[NH+]1CCC(CCNC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300013988524	0	60	0.0	-75.56	424.63	10.12	-65.44
CC(C)[NH+]1CCC(CCNC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300013988525	0	58	0.0	-78.13	416.86	11.43	-66.70
CC(C)[NH+]1CCC(CCNC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1	REAL300013988526	0	55	0.0	-66.68	396.78	7.44	-59.24
CC(C)[NH+]1CCC(CCNC(=O)N2CC(C(=O)[O-])CCC2C)CC1	REAL300013988527	0	57	0.0	-61.12	399.50	9.27	-51.85
CC(C)[NH+]1CCC(CCNC(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300013988528	0	61	0.0	-66.26	446.94	11.28	-54.98
CC(C)[NH+]1CCC(CCNC(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300013988529	0	55	0.0	-73.61	393.85	6.24	-67.37
CC(C)[NH+]1CCC(CCNC(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300013988530	0	58	0.0	-72.60	430.21	9.53	-63.07
CC(C)[NH+]1CCC(CCNC(=O)NC2CCCCN(CC(=O)[O-])C2=O)CC1	REAL300013988531	0	61	0.0	-86.18	435.85	8.52	-77.66
COCC1(C(=O)[O-])CCN(C(=O)NCCC2CC[NH+](C(C)C)CC2)CC1	REAL300013988532	0	61	0.0	-76.64	429.08	8.09	-68.55
CC(C)[NH+]1CCC(CCNC(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300013988533	0	52	0.0	-74.89	384.99	6.99	-67.90
CC(C)[NH+]1CCC(CCNC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300013988534	0	63	0.0	-66.15	430.89	8.98	-57.17
CC(C)[NH+]1CCC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300013988535	0	57	0.0	-67.21	405.73	8.43	-58.78
CC(C)[NH+]1CCC(CCNC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300013988536	0	60	0.0	-73.02	432.24	8.92	-64.10
CC(C)[NH+]1CCC(CCNC(=O)N2CCC(CC(=O)[O-])CC2)CC1	REAL300013988537	0	57	0.0	-72.76	401.98	9.35	-63.41
CC(C)[NH+]1CCC(CCNC(=O)N2CCC(OCC(=O)[O-])CC2)CC1	REAL300013988538	0	58	0.0	-73.41	422.17	9.00	-64.41
CC(C)[NH+]1CCC(CCNC(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300013988539	0	57	0.0	-70.22	413.84	8.23	-61.99
CC(C)[NH+]1CCC(CCNC(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300013988540	0	57	0.0	-67.88	405.74	8.41	-59.47
CC(C)[NH+]1CCC(CCNC(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300013988541	0	58	0.0	-67.99	414.99	6.84	-61.15
CC(C)[NH+]1CCC(CCNC(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300013988542	0	55	0.0	-64.13	396.92	5.53	-58.60
CC(C)[NH+]1CCC(CCNC(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013988543	0	52	0.0	-70.35	390.03	7.72	-62.63
CC(C)[NH+]1CCC(CCNC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300013988544	0	51	0.0	-63.33	375.42	7.14	-56.19
CC(C)[NH+]1CCC(CCNC(=O)N2CC(C(=O)[O-])C3(CCC3)C2)CC1	REAL300013988545	0	58	0.0	-65.14	412.03	9.46	-55.68
CC(C)[NH+]1CCC(CCNC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300013988546	0	54	0.0	-65.66	407.91	8.77	-56.89
CC(C)[NH+]1CCC(CCNC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300013988547	0	55	0.0	-76.47	392.13	7.91	-68.56
COC1CC(C(=O)[O-])CN(C(=O)NCCC2CC[NH+](C(C)C)CC2)C1	REAL300013988548	0	58	0.0	-63.29	415.32	7.76	-55.53
CC(C)[NH+]1CCC(CCNC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300013988549	0	51	0.0	-71.36	374.54	8.01	-63.35
CC(C)[NH+]1CCC(CCNC(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300013988550	0	52	0.0	-74.12	389.31	7.73	-66.39
CC(C)[NH+]1CCC(CCNC(=O)NC(C)CCC(=O)[O-])CC1	REAL300013988551	0	53	0.0	-66.97	389.52	7.21	-59.76
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=C2NC(=O)OC2=C1	REAL300013988584	1	48	0.0	-44.40	382.40	4.62	-39.78
O=C([O-])C1CCN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013988627	0	58	0.0	-75.75	429.32	11.27	-64.48
O=C([O-])C1=CC=C(CNC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300013988628	0	58	0.0	-78.43	453.38	10.93	-67.50
O=C([O-])C1CN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CCO1	REAL300013988629	0	56	0.0	-68.51	422.41	9.75	-58.76
O=C([O-])C1CCC(NC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013988630	0	61	0.0	-71.03	450.27	11.00	-60.03
O=C([O-])CCCCNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013988631	0	57	0.0	-76.95	437.12	9.60	-67.35
O=C([O-])C1=CC(CNC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1	REAL300013988632	0	58	0.0	-78.00	453.38	10.92	-67.08
O=C([O-])CCNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013988633	0	51	0.0	-74.23	394.12	8.03	-66.20
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CC(C)(CNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013988635	0	57	0.0	-76.81	428.98	9.50	-67.31
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CC1(C(=O)[O-])CCN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013988638	0	61	0.0	-77.26	442.98	11.59	-65.67
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CC1CCN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1C(=O)[O-]	REAL300013988640	0	61	0.0	-78.23	445.52	11.74	-66.49
CC(C)(CCNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013988641	0	60	0.0	-73.51	448.32	9.70	-63.81
CCC(CC)(CNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013988642	0	63	0.0	-67.55	458.55	10.83	-56.72
CC(CNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013988643	0	54	0.0	-75.31	412.67	8.78	-66.53
CC(C)C(CNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013988644	0	60	0.0	-67.84	445.15	10.10	-57.74
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013988645	0	58	0.0	-72.03	436.71	10.02	-62.01
O=C([O-])C1(CNC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300013988646	0	61	0.0	-68.73	454.08	10.87	-57.86
CC1CN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CCC1C(=O)[O-]	REAL300013988647	0	61	0.0	-74.41	442.68	12.02	-62.39
O=C([O-])C1(CNC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CCC1	REAL300013988648	0	58	0.0	-67.26	436.10	10.18	-57.08
O=C([O-])CC(CNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300013988649	0	61	0.0	-76.69	461.12	10.81	-65.88
CC1(C(=O)[O-])CCN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013988650	0	61	0.0	-77.26	442.98	11.59	-65.67
O=C([O-])C1=CC=CC=C1CNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013988651	0	58	0.0	-73.66	446.99	11.04	-62.62
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013988652	0	55	0.0	-74.25	420.72	9.38	-64.87
O=C([O-])[C@@H]1CCCN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013988653	0	58	0.0	-65.93	429.55	11.27	-54.66
O=C([O-])[C@H]1CCCN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013988654	0	58	0.0	-80.64	430.11	11.30	-69.34
O=C([O-])C1CC(NC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013988655	0	55	0.0	-72.86	421.09	9.38	-63.48
O=C([O-])[C@H]1C[C@H](NC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013988656	0	55	0.0	-75.94	420.39	9.38	-66.56
O=C([O-])C1=CC(CNC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1	REAL300013988657	0	58	0.0	-78.00	453.38	10.92	-67.08
CCC(CNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300013988658	0	57	0.0	-69.22	434.62	9.49	-59.73
O=C([O-])CCCCCCNC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013988659	0	63	0.0	-78.55	480.11	11.17	-67.38
CN(CCCC(=O)[O-])C(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013988660	0	57	0.0	-77.60	433.25	11.22	-66.38
CC1(C(=O)[O-])CCCN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013988661	0	61	0.0	-81.13	444.94	12.06	-69.07
COCCN(CCC(=O)[O-])C(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013988662	0	61	0.0	-65.34	464.93	10.56	-54.78
CC1CCC(C(=O)[O-])CN1C(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013988663	0	61	0.0	-65.98	445.33	11.89	-54.09
O=C([O-])C1(O)CCCN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013988664	0	59	0.0	-78.51	439.46	8.82	-69.69
O=C([O-])C12CC(NC(=O)NCCC3CC[NH+](CC4=CC=CC=C4)CC3)(C1)C2	REAL300013988665	0	56	0.0	-79.83	430.82	9.61	-70.22
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013988666	0	61	0.0	-70.95	449.95	10.95	-60.00
O=C([O-])CC1CCN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013988667	0	61	0.0	-71.55	447.86	11.98	-59.57
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013988668	0	61	0.0	-75.44	456.01	10.61	-64.83
O=C([O-])C1CCCC(NC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013988669	0	61	0.0	-72.38	451.59	11.03	-61.35
O=C([O-])C1(CNC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CCOC1	REAL300013988670	0	59	0.0	-68.99	442.76	8.16	-60.83
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCCC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300013988671	0	56	0.0	-75.61	431.91	10.05	-65.56
O=C([O-])C1(CNC(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300013988672	0	55	0.0	-66.48	421.26	9.76	-56.72
O=C([O-])C1CN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CC12CCC2	REAL300013988673	0	62	0.0	-70.74	458.82	12.07	-58.67
CC1(C(=O)[O-])CN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)CCO1	REAL300013988674	0	59	0.0	-81.23	437.99	10.54	-70.69
O=C([O-])C1CN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013988675	0	52	0.0	-70.38	401.63	9.68	-60.70
O=C([O-])C1CCN(C(=O)NCCC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013988676	0	55	0.0	-76.93	416.75	10.38	-66.55
O=C([O-])[C@]12C[C@H]1[C@@H](NC(=O)NCCC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300013988677	0	56	0.0	-79.96	431.19	10.06	-69.90
CC(CCC(=O)[O-])NC(=O)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013988678	0	57	0.0	-70.73	435.38	9.83	-60.90
O=C([O-])C[NH+]1CCC(NC(=O)NCC2(F)CCOCC2)CC1	REAL300013988699	1	46	0.0	-37.15	350.52	4.32	-32.83
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC(OC3CCC3)=CC=N2)CC1	REAL300013988767	1	52	0.0	-37.45	406.11	6.03	-31.42
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=C(Cl)C(C(F)(F)F)=C2)CC1	REAL300013988841	1	45	0.0	-38.43	385.04	7.68	-30.75
O=C([O-])C1CCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CC1	REAL300013988880	1	49	0.0	-72.67	383.91	7.51	-65.16
O=C([O-])C1=CC=C(CNC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C=C1	REAL300013988881	1	49	0.0	-76.58	407.93	7.14	-69.44
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CCO1	REAL300013988882	1	47	0.0	-61.35	377.05	5.98	-55.37
O=C([O-])C1CCC(NC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CC1	REAL300013988883	1	52	0.0	-67.55	404.82	7.21	-60.34
O=C([O-])CCCCNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300013988884	1	48	0.0	-75.63	391.66	5.82	-69.81
O=C([O-])C1=CC(CNC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)=CC=C1	REAL300013988885	1	49	0.0	-76.37	407.93	7.13	-69.24
O=C([O-])CCNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300013988886	1	42	0.0	-72.14	348.67	4.24	-67.90
O=C([O-])CCCCCNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300013988887	1	51	0.0	-74.30	413.16	6.60	-67.70
CC(C)(CNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1)C(=O)[O-]	REAL300013988888	1	48	0.0	-75.41	383.52	5.71	-69.70
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988889	1	49	0.0	-74.79	391.02	7.09	-67.70
CC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988890	1	52	0.0	-58.64	405.73	8.12	-50.52
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CC1	REAL300013988891	1	52	0.0	-73.61	398.17	7.84	-65.77
O=C([O-])CCCNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300013988892	1	45	0.0	-69.97	370.17	5.03	-64.94
CC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CC1C(=O)[O-]	REAL300013988893	1	52	0.0	-77.68	399.06	8.02	-69.66
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CCOCC1	REAL300013988894	1	53	0.0	-64.12	410.26	5.21	-58.91
CC(C)(CCNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1)C(=O)[O-]	REAL300013988895	1	51	0.0	-71.03	402.87	5.91	-65.12
CCC(CC)(CNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1)C(=O)[O-]	REAL300013988896	1	54	0.0	-62.99	414.40	7.06	-55.93
CC(CNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1)C(=O)[O-]	REAL300013988897	1	45	0.0	-73.42	366.34	4.98	-68.44
CC(C)C(CNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1)C(=O)[O-]	REAL300013988898	1	51	0.0	-64.21	405.96	6.18	-58.03
O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988899	1	49	0.0	-70.19	391.57	6.31	-63.88
O=C([O-])CCC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CC1	REAL300013988900	1	55	0.0	-74.47	424.76	8.99	-65.48
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCC1=CC=[NH+]C(N3CCSCC3)=C1)C2	REAL300013988901	1	51	0.0	-73.19	402.18	5.69	-67.50
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CCCC1	REAL300013988902	1	52	0.0	-63.83	408.62	7.09	-56.74
CC1CN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CCC1C(=O)[O-]	REAL300013988903	1	52	0.0	-71.70	397.27	8.25	-63.45
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CCC1	REAL300013988904	1	49	0.0	-61.84	391.56	6.24	-55.60
O=C([O-])CC(CNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1)C1CC1	REAL300013988905	1	52	0.0	-73.49	416.15	7.02	-66.47
CC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CC1	REAL300013988906	1	52	0.0	-73.61	398.17	7.84	-65.77
CC(C)C[C@H](CNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1)CC(=O)[O-]	REAL300013988907	1	57	0.0	-70.26	436.69	7.47	-62.79
O=C([O-])C1=CC=CC=C1CNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300013988908	1	49	0.0	-69.55	401.54	7.25	-62.30
COCC1(C(=O)[O-])CCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988909	1	53	0.0	-75.10	421.89	6.22	-68.88
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988910	1	46	0.0	-70.19	375.60	5.60	-64.59
O=C([O-])[C@@H]1CCCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988912	1	49	0.0	-57.04	384.18	7.51	-49.53
O=C([O-])[C@H]1CCCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988913	1	49	0.0	-59.81	385.42	7.57	-52.24
O=C([O-])C1CC(NC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988914	1	46	0.0	-72.35	375.54	5.64	-66.71
O=C([O-])[C@H]1C[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988915	1	46	0.0	-72.77	378.46	5.48	-67.29
O=C([O-])C1=CC(CNC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)=CC=C1	REAL300013988916	1	49	0.0	-76.37	407.93	7.13	-69.24
CCC(CNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1)C(=O)[O-]	REAL300013988917	1	48	0.0	-61.41	384.15	5.80	-55.61
O=C([O-])CCC1CCCCN1C(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300013988918	1	55	0.0	-80.78	418.08	8.91	-71.87
O=C([O-])CCCCCCCNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300013988919	1	57	0.0	-76.57	456.16	8.16	-68.41
O=C([O-])CCCCCCNC(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300013988920	1	54	0.0	-77.46	434.66	7.38	-70.08
CN(CCCC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300013988921	1	48	0.0	-74.61	387.80	7.44	-67.17
CC1(C(=O)[O-])CCCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988922	1	52	0.0	-79.16	399.58	8.29	-70.87
COCCN(CCC(=O)[O-])C(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300013988923	1	52	0.0	-56.72	419.48	6.80	-49.92
O=C([O-])CCC1CCCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988924	1	55	0.0	-61.11	425.08	8.96	-52.15
O=C([O-])C(=O)N1CCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CC1	REAL300013988925	1	50	0.0	-68.08	397.20	6.29	-61.79
CC1CCC(C(=O)[O-])CN1C(=O)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300013988926	1	52	0.0	-57.84	398.67	8.20	-49.64
O=C([O-])C1(O)CCCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988927	1	50	0.0	-75.58	394.32	5.09	-70.49
O=C([O-])C12CC(NC(=O)NCC3=CC=[NH+]C(N4CCSCC4)=C3)(C1)C2	REAL300013988928	1	47	0.0	-77.87	385.38	5.83	-72.04
O=C([O-])[C@H]1CC[C@@H](NC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CC1	REAL300013988929	1	52	0.0	-66.32	409.15	7.10	-59.22
O=C([O-])[C@H]1CC[C@H](CNC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CC1	REAL300013988930	1	55	0.0	-75.59	428.99	7.52	-68.07
O=C([O-])CC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CC1	REAL300013988931	1	52	0.0	-67.28	402.45	8.21	-59.07
O=C([O-])COC1CCN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CC1	REAL300013988932	1	53	0.0	-77.01	418.99	7.60	-69.41
O=C([O-])[C@@H]1CCC[C@H](NC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988933	1	52	0.0	-71.89	413.07	6.65	-65.24
O=C([O-])C1CCCC(NC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988934	1	52	0.0	-68.55	406.13	7.26	-61.29
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CCCOC1	REAL300013988935	1	53	0.0	-62.03	412.50	5.40	-56.63
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CCOC1	REAL300013988936	1	50	0.0	-62.27	397.31	4.37	-57.90
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)NCC1=CC=[NH+]C(N3CCSCC3)=C1)C2	REAL300013988937	1	47	0.0	-70.43	386.80	6.33	-64.10
O=C([O-])C1(CNC(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CC1	REAL300013988938	1	46	0.0	-60.26	375.81	5.97	-54.29
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CC12CCC2	REAL300013988939	1	53	0.0	-64.14	412.45	8.30	-55.84
CC1(C(=O)[O-])CN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)CCO1	REAL300013988940	1	50	0.0	-78.91	391.57	6.85	-72.06
O=C([O-])C1CN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988941	1	43	0.0	-65.51	356.42	5.81	-59.70
COC1CC(C(=O)[O-])CN(C(=O)NCC2=CC=[NH+]C(N3CCSCC3)=C2)C1	REAL300013988942	1	53	0.0	-58.82	417.53	6.54	-52.28
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CC(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C1=CC=NC=C1	REAL300013990926	1	47	0.0	-43.45	365.16	5.86	-37.59
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CC1(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC2CC2C1	REAL300013991057	1	49	0.0	-35.36	365.14	7.32	-28.04
COC1=CC(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CC=N1	REAL300013991110	1	48	0.0	-45.46	381.73	3.76	-41.70
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCN(C3=CC=C(Cl)C=C3F)C2)CC1	REAL300013991181	1	51	0.0	-38.91	410.51	6.76	-32.15
CC1=C(CCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C2=CC(F)=CC=C2N1	REAL300013991323	1	52	0.0	-40.59	412.50	7.67	-32.92
C[NH+](C)CC(NC(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300013991363	0	48	0.0	-63.21	390.81	10.12	-53.09
C[NH+](C)CC(NC(=O)N1CCOC(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300013991364	0	46	0.0	-72.05	387.14	8.45	-63.60
C[NH+](C)CC(NC(=O)NCCCCC(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013991365	0	47	0.0	-72.00	403.01	8.33	-63.67
C[NH+](C)CC(NC(=O)NCCC(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013991366	0	41	0.0	-63.39	355.57	6.86	-56.53
C[NH+](C)CC(NC(=O)NCCCCCC(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013991367	0	50	0.0	-70.69	420.07	9.21	-61.48
C[NH+](C)CC(NC(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013991368	0	47	0.0	-66.73	391.01	8.31	-58.42
C[NH+](C)CC(NC(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300013991369	0	48	0.0	-73.51	396.73	10.00	-63.51
C[NH+](C)CC(NC(=O)NCCCC(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013991370	0	44	0.0	-68.19	381.51	7.55	-60.64
C[NH+](C)CC(NC(=O)NCCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300013991371	0	50	0.0	-70.18	414.21	8.42	-61.76
CC(CNC(=O)NC(C[NH+](C)C)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300013991372	0	44	0.0	-64.21	374.11	7.61	-56.60
CC(C)C(CNC(=O)NC(C[NH+](C)C)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300013991373	0	50	0.0	-50.14	406.59	8.93	-41.21
C[NH+](C)CC(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300013991374	0	48	0.0	-70.18	402.20	9.49	-60.69
C[NH+](C)CC(NC(=O)NCC1(C(=O)[O-])CCC1)C1=CC=C(Cl)C(Cl)=C1	REAL300013991375	0	48	0.0	-60.26	403.43	8.83	-51.43
C[NH+](C)CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300013991376	0	45	0.0	-70.06	389.16	8.79	-61.27
C[NH+](C)CC(NC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300013991377	0	48	0.0	-62.27	395.60	10.01	-52.26
C[NH+](C)CC(NC(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300013991378	0	48	0.0	-62.78	396.27	10.69	-52.09
C[NH+](C)CC(NC(=O)NC1CC(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300013991379	0	45	0.0	-68.58	387.47	8.14	-60.44
C[NH+](C)CC(NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300013991380	0	45	0.0	-67.69	382.28	8.30	-59.39
CCC(CNC(=O)NC(C[NH+](C)C)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300013991381	0	47	0.0	-64.13	400.51	8.21	-55.92
CN(CCCC(=O)[O-])C(=O)NC(C[NH+](C)C)C1=CC=C(Cl)C(Cl)=C1	REAL300013991382	0	47	0.0	-70.32	394.66	10.06	-60.26
C[NH+](C)CC(NC(=O)NC12CC(C(=O)[O-])(C1)C2)C1=CC=C(Cl)C(Cl)=C1	REAL300013991383	0	46	0.0	-72.77	397.26	8.41	-64.36
C[NH+](C)CC(NC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=C(Cl)C(Cl)=C1	REAL300013991384	0	46	0.0	-71.92	398.53	8.85	-63.07
C[NH+](C)CC(NC(=O)NCC1(C(=O)[O-])CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300013991385	0	45	0.0	-61.70	389.71	9.17	-52.53
C[NH+](C)CC(NC(=O)N1CC(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300013991386	0	42	0.0	-62.20	368.23	8.35	-53.85
C[NH+](C)CC(NC(=O)N1CCC(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300013991387	0	45	0.0	-70.02	382.67	9.19	-60.83
C[NH+](C)CC(NC(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=C(Cl)C(Cl)=C1	REAL300013991388	0	46	0.0	-74.70	395.27	9.23	-65.47
CC(CCC(=O)[O-])NC(=O)NC(C[NH+](C)C)C1=CC=C(Cl)C(Cl)=C1	REAL300013991389	0	47	0.0	-60.75	396.82	8.65	-52.10
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CN(C(F)F)C3=CC=CC=C23)CC1	REAL300013991422	1	49	0.0	-38.20	396.53	8.00	-30.20
CC1=CC=CC(C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)C)=C1	REAL300013991493	1	54	0.0	-35.80	403.84	8.97	-26.83
CN1C(=O)OC2=CC=C(CNC(=O)NC3CC[NH+](CC(=O)[O-])CC3)C=C21	REAL300013991569	1	48	0.0	-43.69	386.92	6.19	-37.50
C=CCCC(C)(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013991623	1	51	0.0	-35.26	378.76	7.29	-27.97
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=NN=C(C3CCOCC3)N2)CC1	REAL300013991681	1	52	0.0	-40.89	402.25	4.26	-36.63
O=C([O-])C[NH+]1CCC(NC(=O)NC2CCC3=CC=CC=C32)CC1	REAL300013991744	1	46	0.0	-36.86	353.90	7.37	-29.49
CC(C)(CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C(=O)N1CCCC1	REAL300013991810	1	55	0.0	-44.69	401.49	5.75	-38.94
COC(=O)CCNC(=O)CCNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013991884	1	51	0.0	-51.13	409.40	3.13	-48.00
CC1=NC=C(C(C)NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)S1	REAL300013991971	1	44	0.0	-41.46	358.89	5.04	-36.42
C[C@@H]1[C@H](NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)CCS1(=O)=O	REAL300013992035	1	45	0.0	-43.95	352.45	2.39	-41.56
CC1=C(C)C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)=CS1	REAL300013992095	1	45	0.0	-35.44	362.08	6.64	-28.80
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013992213	0	55	0.0	-78.55	415.34	10.56	-67.99
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C(=O)[O-])CC1	REAL300013992213	1	55	0.0	-74.61	410.68	10.42	-64.19
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013992214	0	55	0.0	-79.18	437.90	10.11	-69.07
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300013992214	1	55	0.0	-78.98	433.24	9.98	-69.00
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013992215	0	53	0.0	-82.30	407.00	8.94	-73.36
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCOC(C(=O)[O-])C1	REAL300013992215	1	53	0.0	-63.24	406.80	8.92	-54.32
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013992216	0	58	0.0	-81.59	441.65	9.90	-71.69
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NC1CCC(C(=O)[O-])CC1	REAL300013992216	1	58	0.0	-81.79	441.31	9.86	-71.93
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCCCC(=O)[O-]	REAL300013992217	0	54	0.0	-79.01	422.75	8.88	-70.13
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCCCC(=O)[O-]	REAL300013992217	1	54	0.0	-78.99	416.98	8.65	-70.34
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013992218	0	55	0.0	-80.21	439.02	10.19	-70.02
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013992218	1	55	0.0	-76.92	432.81	10.00	-66.92
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCC(=O)[O-]	REAL300013992219	0	48	0.0	-75.61	379.76	7.30	-68.31
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCC(=O)[O-]	REAL300013992219	1	48	0.0	-75.55	373.98	7.08	-68.47
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013992220	0	57	0.0	-77.35	444.25	9.66	-67.69
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCCCCC(=O)[O-]	REAL300013992220	1	57	0.0	-77.41	438.47	9.43	-67.98
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013992221	0	54	0.0	-79.23	409.56	8.51	-70.72
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC(C)(C)C(=O)[O-]	REAL300013992221	1	54	0.0	-79.13	408.83	8.55	-70.58
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013992222	0	55	0.0	-82.48	413.70	9.99	-72.49
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300013992222	1	55	0.0	-78.01	421.18	10.15	-67.86
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013992223	0	58	0.0	-60.42	425.48	11.23	-49.19
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CC(C)CC(C(=O)[O-])C1	REAL300013992223	1	58	0.0	-60.44	431.72	11.37	-49.07
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013992224	0	58	0.0	-79.19	427.26	10.80	-68.39
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013992224	1	58	0.0	-75.17	422.39	10.74	-64.43
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCCC(=O)[O-]	REAL300013992225	0	51	0.0	-72.53	395.62	7.85	-64.68
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCCC(=O)[O-]	REAL300013992225	1	51	0.0	-72.63	395.48	7.87	-64.76
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013992226	0	58	0.0	-83.73	420.63	10.55	-73.18
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300013992226	1	58	0.0	-83.81	426.87	10.76	-73.05
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013992227	0	59	0.0	-67.84	435.62	8.03	-59.81
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300013992227	1	59	0.0	-67.96	441.12	8.28	-59.68
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013992228	0	57	0.0	-73.38	428.90	8.73	-64.65
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCC(C)(C)C(=O)[O-]	REAL300013992228	1	57	0.0	-73.41	428.76	8.76	-64.65
CCC(CC)(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013992229	0	60	0.0	-63.69	441.06	9.55	-54.14
CCC(CC)(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013992229	1	60	0.0	-65.79	442.14	9.94	-55.85
CC(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013992230	0	51	0.0	-76.91	392.52	7.83	-69.08
CC(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013992230	1	51	0.0	-76.94	398.30	8.06	-68.88
CC(C)C(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013992231	0	57	0.0	-64.70	431.26	9.02	-55.68
CC(C)C(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013992231	1	57	0.0	-62.57	430.78	9.39	-53.18
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013992232	0	55	0.0	-68.97	422.63	9.31	-59.66
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300013992232	1	55	0.0	-73.00	416.47	9.25	-63.75
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013992233	0	61	0.0	-80.69	454.59	11.93	-68.76
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300013992233	1	61	0.0	-75.70	449.98	11.80	-63.90
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013992234	0	57	0.0	-76.96	432.18	8.81	-68.15
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300013992234	1	57	0.0	-75.73	426.71	8.62	-67.11
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013992235	0	58	0.0	-63.32	439.62	10.17	-53.15
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CCCC1	REAL300013992235	1	58	0.0	-67.60	439.49	10.17	-57.43
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013992236	0	58	0.0	-76.65	423.08	11.05	-65.60
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C(=O)[O-])C(C)C1	REAL300013992236	1	58	0.0	-73.30	427.03	11.31	-61.99
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013992237	0	55	0.0	-61.30	421.59	9.48	-51.82
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CCC1	REAL300013992237	1	55	0.0	-65.27	421.51	9.48	-55.79
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013992238	0	58	0.0	-73.60	438.96	10.74	-62.86
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC(CC(=O)[O-])C1CC1	REAL300013992238	1	58	0.0	-79.09	441.48	9.94	-69.15
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013992239	0	58	0.0	-79.19	427.26	10.80	-68.39
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300013992239	1	58	0.0	-75.17	422.39	10.74	-64.43
CC(C)C[C@H](CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013992240	0	63	0.0	-72.16	461.56	10.29	-61.87
CC(C)C[C@H](CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300013992240	1	63	0.0	-69.11	467.34	10.42	-58.69
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013992241	0	55	0.0	-67.94	432.62	10.31	-57.63
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1=CC=CC=C1C(=O)[O-]	REAL300013992241	1	55	0.0	-74.51	426.42	10.11	-64.40
COCC1(C(=O)[O-])CCN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300013992242	0	59	0.0	-82.44	448.66	9.08	-73.36
COCC1(C(=O)[O-])CCN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300013992242	1	59	0.0	-76.77	444.96	9.70	-67.07
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013992243	0	52	0.0	-74.02	399.85	8.52	-65.50
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013992243	1	52	0.0	-72.33	400.47	8.38	-63.95
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013992244	0	60	0.0	-77.64	454.30	7.70	-69.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NC1CCN(CC(=O)[O-])CC1	REAL300013992244	1	60	0.0	-77.66	448.52	7.47	-70.19
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013992245	0	55	0.0	-58.46	414.87	10.51	-47.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300013992245	1	55	0.0	-58.11	414.83	10.51	-47.60
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013992246	0	55	0.0	-83.01	409.92	10.48	-72.53
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300013992246	1	55	0.0	-82.82	409.45	10.39	-72.43
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NC1CC(C(=O)[O-])C1	REAL300013992247	0	52	0.0	-73.75	401.03	8.44	-65.31
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NC1CC(C(=O)[O-])C1	REAL300013992247	1	52	0.0	-73.82	406.51	8.69	-65.13
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013992248	0	52	0.0	-75.61	406.39	8.69	-66.92
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300013992248	1	52	0.0	-76.35	399.91	8.53	-67.82
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013992249	0	55	0.0	-80.21	439.02	10.19	-70.02
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300013992249	1	55	0.0	-76.92	432.81	10.00	-66.92
CCC(CNC(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013992250	0	54	0.0	-64.33	414.47	8.54	-55.79
CCC(CNC(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300013992250	1	54	0.0	-62.48	415.33	8.98	-53.50
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013992251	0	61	0.0	-85.72	442.60	11.84	-73.88
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCCCC1CCC(=O)[O-]	REAL300013992251	1	61	0.0	-84.67	449.17	11.94	-72.73
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013992252	0	63	0.0	-79.94	487.25	11.22	-68.72
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCCCCCCC(=O)[O-]	REAL300013992252	1	63	0.0	-79.88	481.47	11.00	-68.88
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013992253	0	60	0.0	-80.88	465.75	10.44	-70.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCCCCCCC(=O)[O-]	REAL300013992253	1	60	0.0	-80.90	459.97	10.22	-70.68
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N(C)CCCC(=O)[O-]	REAL300013992254	0	54	0.0	-80.47	418.74	10.52	-69.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N(C)CCCC(=O)[O-]	REAL300013992254	1	54	0.0	-80.32	413.10	10.26	-70.06
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013992255	0	58	0.0	-83.04	424.99	11.08	-71.96
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300013992255	1	58	0.0	-83.54	425.26	11.09	-72.45
COCCN(CCC(=O)[O-])C(=O)NCC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300013992256	0	58	0.0	-54.95	450.34	10.24	-44.71
COCCN(CCC(=O)[O-])C(=O)NCC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300013992256	1	58	0.0	-55.56	450.57	9.85	-45.71
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013992257	0	61	0.0	-82.74	450.52	11.78	-70.96
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300013992257	1	61	0.0	-82.52	454.92	11.90	-70.62
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013992258	0	56	0.0	-74.60	426.72	9.22	-65.38
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCN(C(=O)C(=O)[O-])CC1	REAL300013992258	1	56	0.0	-70.35	421.95	9.21	-61.14
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013992259	0	58	0.0	-60.74	425.97	11.08	-49.66
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CC(C(=O)[O-])CCC1C	REAL300013992259	1	58	0.0	-60.03	425.00	11.02	-49.01
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013992260	0	56	0.0	-79.81	425.50	8.14	-71.67
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCCC(O)(C(=O)[O-])C1	REAL300013992260	1	56	0.0	-79.87	419.50	7.89	-71.98
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013992261	0	53	0.0	-81.65	415.34	8.87	-72.78
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300013992261	1	53	0.0	-81.96	410.26	8.77	-73.19
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013992262	0	58	0.0	-70.94	437.33	10.31	-60.63
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300013992262	1	58	0.0	-70.95	435.66	10.31	-60.64
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013992263	0	61	0.0	-78.60	454.44	10.34	-68.26
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300013992263	1	61	0.0	-79.37	455.19	10.33	-69.04
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013992264	0	58	0.0	-79.61	432.28	11.15	-68.46
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(CC(=O)[O-])CC1	REAL300013992264	1	58	0.0	-79.40	427.18	10.96	-68.44
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013992265	0	59	0.0	-81.73	448.88	10.56	-71.17
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013992265	1	59	0.0	-78.23	444.22	10.41	-67.82
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013992266	0	58	0.0	-75.09	435.35	9.66	-65.43
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300013992266	1	58	0.0	-73.61	435.37	9.62	-63.99
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013992267	0	58	0.0	-70.14	431.59	10.07	-60.07
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NC1CCCC(C(=O)[O-])C1	REAL300013992267	1	58	0.0	-70.03	430.91	10.08	-59.95
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013992268	0	59	0.0	-61.92	443.59	8.46	-53.46
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013992268	1	59	0.0	-61.67	437.82	8.23	-53.44
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013992269	0	56	0.0	-66.21	428.27	7.42	-58.79
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CCOC1	REAL300013992269	1	56	0.0	-66.44	422.62	7.21	-59.23
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013992270	0	53	0.0	-71.97	417.60	9.35	-62.62
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300013992270	1	53	0.0	-71.74	411.96	9.10	-62.64
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CC1	REAL300013992271	0	52	0.0	-60.14	406.75	9.06	-51.08
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)NCC1(C(=O)[O-])CC1	REAL300013992271	1	52	0.0	-63.10	406.68	9.06	-54.04
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013992272	0	59	0.0	-67.35	444.68	11.39	-55.96
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CC(C(=O)[O-])C2(CCC2)C1	REAL300013992272	1	59	0.0	-63.62	435.69	11.07	-52.55
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013992273	0	56	0.0	-82.96	423.66	9.78	-73.18
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300013992273	1	56	0.0	-83.30	417.84	9.59	-73.71
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CC(C(=O)[O-])C1	REAL300013992274	0	49	0.0	-67.85	381.18	8.60	-59.25
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CC(C(=O)[O-])C1	REAL300013992274	1	49	0.0	-69.94	380.47	8.88	-61.06
COC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300013992275	0	59	0.0	-59.16	447.09	9.66	-49.50
COC1CC(C(=O)[O-])CN(C(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300013992275	1	59	0.0	-60.17	442.14	9.42	-50.75
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C(=O)[O-])C1	REAL300013992276	0	52	0.0	-77.66	402.53	9.65	-68.01
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)N1CCC(C(=O)[O-])C1	REAL300013992276	1	52	0.0	-77.59	395.75	9.46	-68.13
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CC(C)(C)C1=CC=C(CNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(=O)N1	REAL300013992922	1	54	0.0	-41.64	413.51	5.57	-36.07
CN1N=CC(Br)=C1CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013992998	1	42	0.0	-37.58	355.09	4.41	-33.17
O=C([O-])C[NH+]1CCC(NC(=O)NCC2=CC=NC(N3C=NC=N3)=C2)CC1	REAL300013993071	1	47	0.0	-41.62	383.55	8.11	-33.51
CC(NC(=O)NC1CC[NH+](CC(=O)[O-])CC1)C12CC1CCCC2	REAL300013993134	1	52	0.0	-35.12	379.10	7.86	-27.26
O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2CCC3=CC(Cl)=CC=C32)CC1	REAL300013993201	1	46	0.0	-37.20	372.83	8.05	-29.15
CCN1CCC(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1=O	REAL300013993254	1	46	0.0	-43.64	358.13	4.34	-39.30
O=C([O-])C[NH+]1CCC(NC(=O)NCC(N2C=NC=N2)C(F)(F)F)CC1	REAL300013993311	1	44	0.0	-43.84	360.20	6.61	-37.23
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C(=O)[O-])CC3)C=N2)CC1	REAL300013993354	0	49	0.0	-85.92	369.66	7.70	-78.22
C[NH+]1CCC(N2C=C(NC(=O)NCC3=CC=C(C(=O)[O-])C=C3)C=N2)CC1	REAL300013993355	0	49	0.0	-87.63	392.23	7.29	-80.34
C[NH+]1CCC(N2C=C(NC(=O)N3CCOC(C(=O)[O-])C3)C=N2)CC1	REAL300013993356	0	47	0.0	-91.26	361.26	6.08	-85.18
C[NH+]1CCC(N2C=C(NC(=O)NC3CCC(C(=O)[O-])CC3)C=N2)CC1	REAL300013993357	0	52	0.0	-80.70	389.10	7.35	-73.35
C[NH+]1CCC(N2C=C(NC(=O)NCCCCC(=O)[O-])C=N2)CC1	REAL300013993358	0	48	0.0	-88.33	375.95	5.96	-82.37
C[NH+]1CCC(N2C=C(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=N2)CC1	REAL300013993359	0	49	0.0	-88.12	392.22	7.27	-80.85
C[NH+]1CCC(N2C=C(NC(=O)NCCCCCC(=O)[O-])C=N2)CC1	REAL300013993360	0	51	0.0	-86.41	397.45	6.74	-79.67
C[NH+]1CCC(N2C=C(NC(=O)NCC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013993361	0	48	0.0	-89.12	367.82	5.85	-83.27
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C)(C(=O)[O-])C3)C=N2)CC1	REAL300013993362	0	49	0.0	-91.82	372.44	7.28	-84.54
CC1CC(C(=O)[O-])CN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C1	REAL300013993363	0	52	0.0	-72.52	389.33	8.19	-64.33
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C)(C(=O)[O-])CC3)C=N2)CC1	REAL300013993364	0	52	0.0	-86.51	381.61	7.88	-78.63
C[NH+]1CCC(N2C=C(NC(=O)NCCCC(=O)[O-])C=N2)CC1	REAL300013993365	0	45	0.0	-82.82	354.45	5.18	-77.64
CC1CCN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)CC1C(=O)[O-]	REAL300013993366	0	52	0.0	-91.25	384.38	8.07	-83.18
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CCOCC3)C=N2)CC1	REAL300013993367	0	53	0.0	-78.38	394.55	5.34	-73.04
C[NH+]1CCC(N2C=C(NC(=O)NCCC(C)(C)C(=O)[O-])C=N2)CC1	REAL300013993368	0	51	0.0	-83.47	387.74	6.06	-77.41
CCC(CC)(CNC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013993369	0	54	0.0	-79.17	400.04	6.86	-72.31
CC(CNC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013993370	0	45	0.0	-87.52	351.50	5.14	-82.38
CC(C)C(CNC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013993371	0	51	0.0	-79.83	390.24	6.33	-73.50
CC(NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300013993372	0	58	0.0	-90.92	426.83	7.72	-83.20
C[NH+]1CCC(N2C=C(NC(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300013993373	0	55	0.0	-80.41	423.32	8.50	-71.91
C[NH+]1CCC(N2C=C(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013993374	0	49	0.0	-80.06	375.91	6.42	-73.64
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(CCC(=O)[O-])CC3)C=N2)CC1	REAL300013993375	0	55	0.0	-85.75	408.97	9.09	-76.66
C[NH+]1CCC(N2C=C(NC(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)C=N2)CC1	REAL300013993376	0	51	0.0	-85.24	385.77	5.94	-79.30
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CCCC3)C=N2)CC1	REAL300013993377	0	52	0.0	-78.66	392.92	7.23	-71.43
CC1CN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)CCC1C(=O)[O-]	REAL300013993378	0	52	0.0	-83.18	381.56	8.36	-74.82
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CCC3)C=N2)CC1	REAL300013993379	0	49	0.0	-76.58	375.85	6.39	-70.19
C[NH+]1CCC(N2C=C(NC(=O)NCC(CC(=O)[O-])C3CC3)C=N2)CC1	REAL300013993380	0	52	0.0	-88.52	399.96	7.16	-81.36
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C)(C(=O)[O-])CC3)C=N2)CC1	REAL300013993381	0	52	0.0	-86.51	381.61	7.88	-78.63
CC(C)C[C@H](CNC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)CC(=O)[O-]	REAL300013993382	0	57	0.0	-86.40	420.97	7.56	-78.84
C[NH+]1CCC(N2C=C(NC(=O)NCC3=CC=CC=C3C(=O)[O-])C=N2)CC1	REAL300013993383	0	49	0.0	-85.73	385.83	7.39	-78.34
COCC1(C(=O)[O-])CCN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C1	REAL300013993384	0	53	0.0	-93.49	403.74	6.86	-86.63
C[NH+]1CCC(N2C=C(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013993385	0	46	0.0	-83.36	359.56	5.74	-77.62
C[NH+]1CCC(N2C=C(NC(=O)NC3CCN(CC(=O)[O-])CC3)C=N2)CC1	REAL300013993386	0	54	0.0	-85.08	407.95	4.80	-80.28
C[NH+]1CCC(N2C=C(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013993387	0	49	0.0	-72.62	368.52	7.62	-65.00
C[NH+]1CCC(N2C=C(NC(=O)N3CCC[C@H](C(=O)[O-])C3)C=N2)CC1	REAL300013993388	0	49	0.0	-73.81	369.67	7.68	-66.13
C[NH+]1CCC(N2C=C(NC(=O)NC3CC(C(=O)[O-])C3)C=N2)CC1	REAL300013993389	0	46	0.0	-85.09	359.41	5.79	-79.30
C[NH+]1CCC(N2C=C(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=N2)CC1	REAL300013993390	0	46	0.0	-85.08	359.42	5.79	-79.29
C[NH+]1CCC(N2C=C(NC(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=N2)CC1	REAL300013993391	0	49	0.0	-88.12	392.22	7.27	-80.85
CCC(CNC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1)C(=O)[O-]	REAL300013993392	0	48	0.0	-79.42	373.47	5.85	-73.57
C[NH+]1CCC(N2C=C(NC(=O)N3CCCCC3CCC(=O)[O-])C=N2)CC1	REAL300013993393	0	55	0.0	-97.86	402.57	9.01	-88.85
C[NH+]1CCC(N2C=C(NC(=O)NCCCCCCCC(=O)[O-])C=N2)CC1	REAL300013993394	0	57	0.0	-88.24	440.45	8.30	-79.94
C[NH+]1CCC(N2C=C(NC(=O)NCCCCCCC(=O)[O-])C=N2)CC1	REAL300013993395	0	54	0.0	-89.45	418.95	7.52	-81.93
CN(CCCC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013993396	0	48	0.0	-90.05	372.08	7.54	-82.51
C[NH+]1CCC(N2C=C(NC(=O)N3CCCC(C)(C(=O)[O-])C3)C=N2)CC1	REAL300013993397	0	52	0.0	-92.10	383.81	8.40	-83.70
COCC1(C(=O)[O-])CCCN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C1	REAL300013993398	0	56	0.0	-95.00	415.33	8.16	-86.84
COCCN(CCC(=O)[O-])C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013993399	0	52	0.0	-71.17	403.76	6.90	-64.27
C[NH+]1CCC(N2C=C(NC(=O)N3CCCC(CCC(=O)[O-])C3)C=N2)CC1	REAL300013993400	0	55	0.0	-91.69	409.34	9.09	-82.60
C[NH+]1CCC(N2C=C(NC(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)C=N2)CC1	REAL300013993401	0	53	0.0	-95.16	402.33	10.08	-85.08
C[NH+]1CCC(N2C=C(NC(=O)N3CCN(C(=O)C(=O)[O-])CC3)C=N2)CC1	REAL300013993402	0	50	0.0	-79.75	381.49	6.41	-73.34
CC1CCC(C(=O)[O-])CN1C(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013993403	0	52	0.0	-72.37	384.38	8.19	-64.18
C[NH+]1CCC(N2C=C(NC(=O)N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)C=N2)CC1	REAL300013993404	0	56	0.0	-81.47	431.45	10.24	-71.23
C[NH+]1CCC(N2C=C(NC(=O)N3CCCC(O)(C(=O)[O-])C3)C=N2)CC1	REAL300013993405	0	50	0.0	-88.84	378.59	5.21	-83.63
C[NH+]1CCC(N2C=C(NC(=O)NC3CC(C(=O)[O-])C4=CC=CC=C43)C=N2)CC1	REAL300013993406	0	53	0.0	-85.82	414.91	8.51	-77.31
C[NH+]1CCC(N2C=C(NC(=O)NC3CCCCN(CC(=O)[O-])C3=O)C=N2)CC1	REAL300013993407	0	56	0.0	-102.81	420.51	7.49	-95.32
COCC1(C(=O)[O-])CCN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)CC1	REAL300013993408	0	56	0.0	-90.06	413.80	7.05	-83.01
C[NH+]1CCC(N2C=C(NC(=O)NC34CC(C(=O)[O-])(C3)C4)C=N2)CC1	REAL300013993409	0	47	0.0	-90.92	369.66	5.97	-84.95
C[NH+]1CCC(N2C=C(NC(=O)NCC3(CC(=O)[O-])CCCCC3)C=N2)CC1	REAL300013993410	0	58	0.0	-85.32	415.87	7.94	-77.38
C[NH+]1CCC(N2C=C(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])CC3)C=N2)CC1	REAL300013993411	0	52	0.0	-80.62	390.43	7.39	-73.23
C[NH+]1CCC(N2C=C(NC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)C=N2)CC1	REAL300013993412	0	55	0.0	-87.95	414.59	7.70	-80.25
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(CC(=O)[O-])CC3)C=N2)CC1	REAL300013993413	0	52	0.0	-79.42	386.66	8.31	-71.11
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(OCC(=O)[O-])CC3)C=N2)CC1	REAL300013993414	0	53	0.0	-87.62	403.26	7.73	-79.89
C[NH+]1CCC(N2C=C(NC(=O)N[C@H]3CCC[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013993415	0	52	0.0	-83.96	394.34	6.95	-77.01
C[NH+]1CCC(N2C=C(NC(=O)NC3CCCC(C(=O)[O-])C3)C=N2)CC1	REAL300013993416	0	52	0.0	-80.99	390.43	7.38	-73.61
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CCCOC3)C=N2)CC1	REAL300013993417	0	53	0.0	-81.90	399.70	5.81	-76.09
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CCOC3)C=N2)CC1	REAL300013993418	0	50	0.0	-77.80	381.61	4.51	-73.29
C[NH+]1CCC(N2C=C(NC(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=N2)CC1	REAL300013993419	0	47	0.0	-83.53	371.42	6.46	-77.07
C[NH+]1CCC(N2C=C(NC(=O)NCC3(C(=O)[O-])CC3)C=N2)CC1	REAL300013993420	0	46	0.0	-75.69	360.10	6.12	-69.57
C[NH+]1CCC(N2C=C(NC(=O)N3CC(C(=O)[O-])C4(CCC4)C3)C=N2)CC1	REAL300013993421	0	53	0.0	-78.10	397.93	8.48	-69.62
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)C=N2)CC1	REAL300013993422	0	49	0.0	-81.40	388.93	7.49	-73.91
C[NH+]1CCC(N2C=C(NC(=O)N3CCOC(C)(C(=O)[O-])C3)C=N2)CC1	REAL300013993423	0	50	0.0	-91.92	376.81	6.88	-85.04
C[NH+]1CCC(N2C=C(NC(=O)N3CC(C(=O)[O-])C3)C=N2)CC1	REAL300013993424	0	43	0.0	-79.17	340.69	5.95	-73.22
COC1CC(C(=O)[O-])CN(C(=O)NC2=CN(C3CC[NH+](C)CC3)N=C2)C1	REAL300013993425	0	53	0.0	-72.82	401.78	6.65	-66.17
C[NH+]1CCC(N2C=C(NC(=O)N3CCC(C(=O)[O-])C3)C=N2)CC1	REAL300013993426	0	46	0.0	-86.99	355.58	6.72	-80.27
C[NH+]1CCC(N2C=C(NC(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=N2)CC1	REAL300013993427	0	47	0.0	-89.91	370.38	6.47	-83.44
CC(CCC(=O)[O-])NC(=O)NC1=CN(C2CC[NH+](C)CC2)N=C1	REAL300013993428	0	48	0.0	-80.90	374.21	6.18	-74.72
CCC(F)(F)C(C)(C)CNC(=O)NC1CC[NH+](CC(=O)[O-])CC1	REAL300013993457	1	50	0.0	-39.04	373.88	6.75	-32.29
CC1=CC=C(CCCNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C(C)=C1	REAL300013993528	1	54	0.0	-40.71	412.50	8.93	-31.78
CC1OC(C)C(NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)C1C	REAL300013993584	1	49	0.0	-36.46	366.79	5.37	-31.09
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O=C([O-])C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)CC1	REAL300013993720	1	50	0.0	-38.41	387.83	6.68	-31.73
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CC(C[NH+]1CC(C)CC(C)C1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013995374	0	51	0.0	-69.89	382.95	7.59	-62.30
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CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300013995515	1	48	0.0	-71.18	369.64	7.88	-63.30
CCC1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013995519	0	54	0.0	-65.01	379.35	7.52	-57.49
CCC1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013995519	1	54	0.0	-65.51	386.33	7.55	-57.96
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COC1=CC=CC=C1C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300013995542	0	56	0.0	-65.15	418.19	8.46	-56.69
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013995543	0	45	0.0	-76.59	358.88	6.99	-69.60
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3=CC=C(F)C(F)=C3)CC2)C1	REAL300013995551	1	49	0.0	-84.21	392.96	8.20	-76.01
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013995590	0	50	0.0	-63.27	395.19	5.64	-57.63
CC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013995592	0	52	0.0	-68.93	401.06	8.81	-60.12
CC[NH+]1CCN(C2=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=N2)CC1	REAL300013995603	0	53	0.0	-71.13	410.95	6.18	-64.95
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(C[NH+]3CCCCCC3)C=C2)C1	REAL300013995607	0	55	0.0	-74.01	413.42	9.34	-64.67
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCCCC3)=C2)C1	REAL300013995608	0	55	0.0	-71.76	412.09	8.98	-62.78
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013995621	0	53	0.0	-72.53	416.45	7.80	-64.73
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013995624	1	49	0.0	-72.25	369.89	9.41	-62.84
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CC1=C(C)OC(C[NH+]2CCC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)=N1	REAL300013995633	1	54	0.0	-76.56	418.82	4.98	-71.58
CC1CC[NH+](C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013995639	0	55	0.0	-68.38	414.47	9.38	-59.00
CC1CCCC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)([NH+](C)C)C1	REAL300013995647	0	51	0.0	-69.38	360.76	6.64	-62.74
C[N@H+](CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300013995656	0	58	0.0	-67.45	431.38	10.18	-57.27
C[N@@H+](CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300013995656	1	58	0.0	-63.29	426.76	10.66	-52.63
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CC[NH+](CCC3=CC=CS3)CC2)C1	REAL300013995669	1	46	0.0	-75.14	368.06	8.82	-66.32
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CN1CCC([NH+]2CCC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013995684	0	54	0.0	-71.05	396.36	5.04	-66.01
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1	REAL300013995719	0	53	0.0	-69.57	381.95	7.61	-61.96
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O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=CC=C2C[NH+]2CCCCCC2)C1	REAL300013995734	0	55	0.0	-62.53	406.95	9.56	-52.97
C[NH+](C)CCN(CC1=CC=C(Br)C=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013995736	0	48	0.0	-74.05	394.94	10.10	-63.95
C[NH+](C)CCN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013995775	0	51	0.0	-74.32	418.13	10.70	-63.62
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCN2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013995779	1	53	0.0	-72.16	408.85	3.30	-68.86
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC3=CC=NC=C3)CC2)C1	REAL300013995805	0	51	0.0	-80.71	397.90	7.20	-73.51
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013995814	0	54	0.0	-74.51	405.37	9.23	-65.28
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013995814	1	54	0.0	-68.79	405.85	10.11	-58.68
O=C([O-])[C@H]1C[C@@H](NC(=O)N(CCC[NH+]2CCOCC2)CC2=CC=NC=C2)C1	REAL300013995828	1	55	0.0	-80.77	426.26	8.25	-72.52
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CC([NH2+]C1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCCC1)C1=CC=CC=C1	REAL300013995841	0	55	0.0	-70.62	408.53	7.97	-62.65
CCC(CC)(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013995842	0	57	0.0	-69.08	406.56	7.98	-61.10
CN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300013995848	0	52	0.0	-73.74	393.93	10.17	-63.57
CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300013995858	0	54	0.0	-74.64	420.50	7.74	-66.90
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CC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)O1	REAL300013995901	0	49	0.0	-66.16	378.20	7.07	-59.09
COCCC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013995928	0	49	0.0	-74.40	376.79	5.02	-69.38
CN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CC[NH+](CCC2=CC=CC=N2)CC1	REAL300013995931	0	54	0.0	-74.75	409.87	9.22	-65.53
CN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300013995932	0	54	0.0	-81.70	411.01	9.27	-72.43
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CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013995959	0	51	0.0	-71.49	394.46	10.08	-61.41
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013995960	0	52	0.0	-82.87	418.81	5.43	-77.44
C[NH+]1CCN(CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300013995985	0	54	0.0	-67.44	419.03	7.10	-60.34
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013995991	0	56	0.0	-72.78	441.78	6.52	-66.26
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013995991	1	56	0.0	-74.01	441.42	6.52	-67.49
CC1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013995997	0	55	0.0	-73.37	424.05	9.40	-63.97
C[NH+]1CCN(CC2=CC=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013996001	0	54	0.0	-73.00	419.37	6.18	-66.82
CN1CC[NH+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)CC1	REAL300013996001	1	54	0.0	-71.43	419.70	6.22	-65.21
CC1CC[NH+](CC2CCCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013996022	0	55	0.0	-69.22	398.06	9.88	-59.34
CC(C)(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013996030	0	52	0.0	-68.63	385.82	8.37	-60.26
CC(C)(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013996030	1	52	0.0	-68.33	385.99	8.49	-59.84
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1	REAL300013996043	1	49	0.0	-78.21	393.05	7.18	-71.03
CC[NH+](CC)CCN(CC1=CC=CC=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996045	0	54	0.0	-73.47	412.44	11.17	-62.30
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996050	0	54	0.0	-74.01	423.67	11.26	-62.75
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1	REAL300013996062	0	50	0.0	-75.52	376.81	6.96	-68.56
C[NH+](C)CCCOC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013996065	0	52	0.0	-75.09	414.09	7.36	-67.73
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300013996067	0	52	0.0	-75.64	407.91	8.84	-66.80
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300013996067	1	52	0.0	-76.12	408.16	8.93	-67.19
CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013996094	0	49	0.0	-70.90	371.47	7.97	-62.93
CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013996094	1	49	0.0	-71.47	371.34	7.87	-63.60
CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300013996095	1	46	0.0	-71.10	363.67	7.43	-63.67
CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300013996095	1	46	0.0	-71.97	362.63	7.02	-64.95
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CC[NH+](CC3CCCCC3)CC2)C1	REAL300013996110	0	52	0.0	-72.85	377.00	9.26	-63.59
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996111	0	48	0.0	-78.25	396.49	10.21	-68.04
C[NH+](C)CCN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996112	0	51	0.0	-71.94	418.42	10.72	-61.22
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996113	0	48	0.0	-72.45	385.77	9.77	-62.68
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996114	0	48	0.0	-75.78	392.04	9.82	-65.96
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996115	0	48	0.0	-77.24	387.81	9.77	-67.47
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013996124	0	51	0.0	-70.52	398.01	6.67	-63.85
CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013996127	0	52	0.0	-74.34	387.20	7.13	-67.21
NC(=O)C1CCN(C2=[NH+]C=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013996137	1	52	0.0	-82.46	413.76	2.91	-79.55
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013996139	0	55	0.0	-78.30	428.48	7.26	-71.04
C[N@H+](CCN1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1)CC1=CC=CC=C1	REAL300013996144	0	57	0.0	-76.57	428.01	8.42	-68.15
C[N@@H+](CCN1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1)CC1=CC=CC=C1	REAL300013996144	1	57	0.0	-76.42	429.18	8.56	-67.86
C[NH+](C)CCOC1=CC=C(CCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013996145	0	52	0.0	-73.99	412.70	7.48	-66.51
CC[N@H+](C)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013996175	0	48	0.0	-72.91	379.39	7.59	-65.32
CC[N@@H+](C)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013996175	1	48	0.0	-72.87	379.00	7.57	-65.30
COC1=CC=[NH+]C(N2CCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300013996183	0	46	0.0	-68.14	357.07	5.40	-62.74
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996192	0	53	0.0	-69.19	390.97	6.17	-63.02
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996192	1	53	0.0	-66.88	391.32	6.19	-60.69
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996192	1	53	0.0	-71.46	388.46	6.11	-65.35
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCCC2C[NH+]2CCCCC2)C1	REAL300013996194	0	49	0.0	-63.31	361.00	8.43	-54.88
CC1C[NH+](CC2CCCN2C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC(C)O1	REAL300013996195	1	53	0.0	-65.58	388.76	7.44	-58.14
CC1CCC(C)[NH+]1CCN1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013996197	0	57	0.0	-69.92	406.77	6.86	-63.06
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996199	0	48	0.0	-73.49	377.70	9.31	-64.18
O=C(NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996201	0	53	0.0	-77.47	413.95	5.44	-72.03
CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996202	0	51	0.0	-63.79	383.41	6.95	-56.84
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1	REAL300013996279	0	50	0.0	-67.83	357.98	4.84	-62.99
CC1(C)CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013996282	0	52	0.0	-68.40	383.77	9.87	-58.53
CC1(C)CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013996282	1	52	0.0	-67.88	383.65	9.87	-58.01
CCCN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300013996350	0	58	0.0	-72.07	407.58	12.09	-59.98
CCCN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300013996350	1	58	0.0	-73.34	408.92	12.15	-61.19
CC[NH+]1CCN(C2CCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)CC1	REAL300013996373	0	51	0.0	-72.46	380.06	5.79	-66.67
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C1	REAL300013996377	0	52	0.0	-72.23	414.04	9.37	-62.86
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2F)CC1	REAL300013996378	0	54	0.0	-74.02	423.17	7.09	-66.93
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996385	0	47	0.0	-75.95	375.24	7.89	-68.06
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013996387	0	54	0.0	-79.24	429.96	7.39	-71.85
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=CC(C[NH+]3CCOCC3)=C2)C1	REAL300013996410	1	50	0.0	-73.16	394.51	6.37	-66.79
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3=CC=NC=C3)CC2)C1	REAL300013996415	0	48	0.0	-78.27	375.57	6.40	-71.87
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300013996416	0	59	0.0	-70.71	451.78	7.65	-63.06
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013996427	0	60	0.0	-74.52	458.31	7.73	-66.79
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013996427	1	60	0.0	-74.14	459.46	7.89	-66.25
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300013996440	0	57	0.0	-77.03	434.43	7.65	-69.38
CC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013996459	0	48	0.0	-70.30	374.05	7.59	-62.71
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013996477	0	52	0.0	-68.84	393.95	9.02	-59.82
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013996477	1	52	0.0	-67.35	384.46	8.36	-58.99
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013996479	0	52	0.0	-73.14	400.39	8.81	-64.33
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013996479	1	52	0.0	-73.41	400.45	8.82	-64.59
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCCC([NH+]3CCCCC3)C2)C1	REAL300013996481	0	49	0.0	-66.95	355.37	8.30	-58.65
COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013996482	0	52	0.0	-67.93	379.51	5.32	-62.61
COC1CC[NH+](C2(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CCCC2)CC1	REAL300013996483	0	56	0.0	-68.39	405.29	6.56	-61.83
COCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013996487	0	49	0.0	-71.62	374.24	5.09	-66.53
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)C1	REAL300013996489	0	56	0.0	-77.71	439.14	5.41	-72.30
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)C1	REAL300013996489	1	56	0.0	-77.71	439.07	5.42	-72.29
CCCC[N@@H+]1CCCCC1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996501	0	51	0.0	-67.07	378.13	7.64	-59.43
CCCC[N@H+]1CCCCC1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996501	1	51	0.0	-69.16	373.68	6.95	-62.21
CC1(C)C[N@@H+](C2(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CCCCC2)CCO1	REAL300013996506	0	59	0.0	-65.72	408.17	6.80	-58.92
CC1(C)C[N@H+](C2(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CCCCC2)CCO1	REAL300013996506	1	59	0.0	-66.52	407.83	6.80	-59.72
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCC1	REAL300013996525	0	52	0.0	-67.15	390.45	8.76	-58.39
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCC1	REAL300013996525	1	52	0.0	-67.94	388.31	8.32	-59.62
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C[NH+]1CCN(CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013996548	1	50	0.0	-72.17	382.81	4.30	-67.87
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C[NH+](C)CCN(CC1=CC=CS1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996602	0	45	0.0	-72.49	369.77	8.85	-63.64
CC1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996644	0	49	0.0	-68.73	357.65	5.17	-63.56
CC1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996644	1	49	0.0	-72.52	356.28	5.13	-67.39
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CC1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300013996706	0	52	0.0	-69.67	380.04	10.62	-59.05
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C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996711	0	54	0.0	-68.52	397.94	9.62	-58.90
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)C1	REAL300013996719	0	50	0.0	-69.26	360.56	7.16	-62.10
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](C3CCOCC3)CC2)C1	REAL300013996719	1	50	0.0	-71.64	357.91	7.00	-64.64
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O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1	REAL300013996725	0	49	0.0	-68.70	352.90	9.05	-59.65
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CC[N@H+](CCC1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1)CC1CC1	REAL300013996785	0	58	0.0	-73.57	425.28	10.90	-62.67
CC[N@@H+](CCC1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1)CC1CC1	REAL300013996785	1	58	0.0	-74.08	425.60	10.91	-63.17
CC1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC(C)(C)O	REAL300013996798	0	49	0.0	-68.76	358.19	5.05	-63.71
CC1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@H+]1CC(C)(C)O	REAL300013996798	1	49	0.0	-68.29	359.67	5.03	-63.26
C[NH+](C)CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300013996829	0	45	0.0	-66.55	371.04	8.34	-58.21
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1	REAL300013996848	0	53	0.0	-77.33	390.21	7.45	-69.88
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013996857	0	57	0.0	-68.77	383.05	8.53	-60.24
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(C3=CC(N4CCOCC4)=NC=[NH+]3)CC2)C1	REAL300013996865	0	54	0.0	-69.79	409.52	5.89	-63.90
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(C3=CC(N4CCOCC4)=[NH+]C=N3)CC2)C1	REAL300013996865	1	54	0.0	-70.77	409.44	5.90	-64.87
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996883	0	52	0.0	-76.82	396.33	4.94	-71.88
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996883	1	52	0.0	-73.41	399.53	5.28	-68.13
C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013996884	0	49	0.0	-74.57	364.09	4.51	-70.06
C[N@@H+](CCCO)C1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013996884	1	49	0.0	-75.26	363.95	4.51	-70.75
COC1=CC(C[N@@H+]2CCC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013996899	1	54	0.0	-75.92	423.87	6.14	-69.78
COC1=CC(C[N@H+]2CCC(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300013996899	1	54	0.0	-76.85	424.52	6.14	-70.71
C[NH+](C)CCN(CC1=CC=CO1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013996921	0	45	0.0	-73.66	355.92	7.65	-66.01
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CCN(C3=CC=[NH+]C=C3)CC2)C1	REAL300013996939	0	48	0.0	-71.54	372.26	5.04	-66.50
CC[N@H+](CCC1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1)CC(C)C	REAL300013996951	0	60	0.0	-73.44	429.15	10.59	-62.85
CC[N@@H+](CCC1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1)CC(C)C	REAL300013996951	1	60	0.0	-71.84	426.65	10.51	-61.33
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013996961	1	48	0.0	-79.19	367.03	7.29	-71.90
COC(=O)CC[N@H+]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)C1	REAL300013996961	1	48	0.0	-78.27	368.72	7.48	-70.79
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C1	REAL300013996962	0	56	0.0	-72.55	437.97	8.58	-63.97
C[NH+](C)CCC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013996982	0	48	0.0	-75.71	384.11	7.77	-67.94
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC([NH2+]C3CCS(=O)(=O)C3)CC2)C1	REAL300013996991	0	49	0.0	-95.85	379.22	3.04	-92.81
C[NH+]1CCC(OC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013997019	0	53	0.0	-75.58	412.65	7.63	-67.95
C[N@@H+]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1CC1=CC=CC=C1	REAL300013997026	1	49	0.0	-71.41	364.61	9.07	-62.34
C[N@H+]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1CC1=CC=CC=C1	REAL300013997026	1	49	0.0	-76.69	372.86	9.28	-67.41
COC1=CC=C(C(C[NH+](C)C)NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013997030	0	49	0.0	-66.83	384.74	6.50	-60.33
CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013997040	0	53	0.0	-67.63	384.73	6.14	-61.49
CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013997040	1	53	0.0	-71.22	380.83	5.63	-65.59
CN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300013997054	0	48	0.0	-79.26	374.22	8.36	-70.90
CC1C[N@H+](CC2=CC=CC=C2)CCCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997066	0	52	0.0	-70.39	383.93	10.61	-59.78
CC1C[N@@H+](CC2=CC=CC=C2)CCCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997066	1	52	0.0	-72.46	389.35	10.81	-61.65
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CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013997075	1	53	0.0	-70.82	400.67	7.21	-63.61
CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013997075	1	53	0.0	-74.49	409.53	7.28	-67.21
C[NH+](C)CCN(CC1CCCO1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997087	0	49	0.0	-69.09	375.71	7.08	-62.01
CC(C[NH+]1CCN(C2=CC=CC=C2)CC1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997090	1	54	0.0	-73.40	410.46	7.31	-66.09
CC1CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[N@@H+]1CC1=CC=CC=C1	REAL300013997116	0	49	0.0	-71.30	384.47	8.16	-63.14
CC1CC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[N@H+]1CC1=CC=CC=C1	REAL300013997116	1	49	0.0	-71.32	377.22	7.68	-63.64
CC(C)CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH2+]C(C)C1=CC=CC=C1	REAL300013997121	0	57	0.0	-73.50	426.53	9.11	-64.39
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CN(C(=O)C3=CC=CC=C3)C3CC[N@@H+]2C3)C1	REAL300013997126	0	54	0.0	-83.93	407.08	7.07	-76.86
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CN(C(=O)C3=CC=CC=C3)C3CC[N@H+]2C3)C1	REAL300013997126	1	54	0.0	-80.61	406.63	7.02	-73.59
CCCC1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013997132	0	55	0.0	-69.67	411.57	10.67	-59.00
CCCC1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013997132	1	55	0.0	-72.91	407.22	10.89	-62.02
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997133	0	48	0.0	-73.31	376.72	8.13	-65.18
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997133	1	48	0.0	-73.67	376.42	8.11	-65.56
CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300013997161	0	48	0.0	-69.13	362.40	7.65	-61.48
CC1=CC=CC=C1C(C(C)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+](C)C	REAL300013997162	0	51	0.0	-68.42	377.76	8.69	-59.73
CCC[N@H+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300013997165	0	51	0.0	-70.48	400.78	8.50	-61.98
CCC[N@@H+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300013997165	1	51	0.0	-73.08	408.14	8.84	-64.24
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1	REAL300013997193	1	51	0.0	-70.61	361.16	3.90	-66.71
C[N@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997210	1	52	0.0	-68.58	411.25	9.64	-58.94
C[N@@H+](CC1=CC=CO1)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997210	1	52	0.0	-70.95	413.33	8.91	-62.04
C[NH+](C)C1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300013997213	0	49	0.0	-73.81	369.25	7.87	-65.94
O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)NC1CC[NH+](C2CCCCC2O)CC1	REAL300013997288	0	53	0.0	-68.17	387.97	4.52	-63.65
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013997330	0	52	0.0	-75.34	408.88	8.99	-66.35
CCC(C)[NH2+]C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CO1	REAL300013997356	0	48	0.0	-68.93	370.93	5.38	-63.55
CN(CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997360	0	57	0.0	-72.60	434.08	8.71	-63.89
C[NH+](C)CCN(CC1=CSC=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997377	0	45	0.0	-75.25	367.45	8.70	-66.55
CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C[NH+]1CCN(C)CC1	REAL300013997429	0	50	0.0	-71.46	376.02	4.21	-67.25
CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CN1CC[NH+](C)CC1	REAL300013997429	1	50	0.0	-71.90	379.14	4.58	-67.32
CCN1CC[NH+](CC(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013997430	0	53	0.0	-71.36	394.51	5.00	-66.36
CC[NH+]1CCN(CC(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013997430	1	53	0.0	-69.54	397.20	5.33	-64.21
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013997431	0	57	0.0	-72.40	439.93	9.81	-62.59
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013997431	1	57	0.0	-72.50	440.43	9.81	-62.69
CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013997442	0	49	0.0	-69.00	364.57	3.57	-65.43
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997452	0	55	0.0	-72.26	413.54	9.84	-62.42
CCC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300013997453	1	56	0.0	-73.56	425.87	7.96	-65.60
CCC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300013997453	1	56	0.0	-70.22	425.08	8.10	-62.12
CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997469	0	50	0.0	-69.47	377.76	5.77	-63.70
CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997469	1	50	0.0	-68.11	378.54	5.78	-62.33
CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300013997475	0	52	0.0	-74.49	402.94	8.73	-65.76
CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300013997475	1	52	0.0	-75.03	397.51	8.57	-66.46
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1	REAL300013997486	0	56	0.0	-76.04	411.36	8.23	-67.81
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013997499	0	55	0.0	-62.18	414.60	10.33	-51.85
CC[N@H+](CCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CCC(F)(F)F	REAL300013997522	0	44	0.0	-76.36	356.65	5.77	-70.59
CC[N@@H+](CCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CCC(F)(F)F	REAL300013997522	1	44	0.0	-77.05	356.62	5.79	-71.26
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(C3CC[N@H+](CC4=CC=CC=C4)C3)CC2)C1	REAL300013997526	0	58	0.0	-76.30	430.07	8.71	-67.59
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(C3CC[N@@H+](CC4=CC=CC=C4)C3)CC2)C1	REAL300013997526	1	58	0.0	-75.92	430.12	8.69	-67.23
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013997533	0	46	0.0	-75.21	366.35	8.53	-66.68
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013997533	1	46	0.0	-75.98	366.04	8.53	-67.45
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC3(CC[N@H+](CC4=CC=CC=C4)C3)C2)C1	REAL300013997534	0	53	0.0	-77.57	405.84	10.10	-67.47
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC3(CC[N@@H+](CC4=CC=CC=C4)C3)C2)C1	REAL300013997534	1	53	0.0	-77.59	403.96	10.11	-67.48
CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997539	0	51	0.0	-65.77	383.52	9.33	-56.44
COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013997546	0	56	0.0	-68.45	410.03	5.82	-62.63
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C2	REAL300013997548	0	53	0.0	-74.11	384.40	6.91	-67.20
C[N@@H+]1CC2CN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2C1C1=CC=CC=C1	REAL300013997591	0	50	0.0	-76.53	376.54	9.25	-67.28
C[N@H+]1CC2CN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2C1C1=CC=CC=C1	REAL300013997591	1	50	0.0	-76.98	365.25	8.42	-68.56
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CCCCC2[NH+]2CCOCC2)C1	REAL300013997605	1	50	0.0	-69.82	365.50	5.86	-63.96
CC1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013997608	0	58	0.0	-72.80	408.85	10.05	-62.75
CC1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013997608	1	58	0.0	-72.24	415.63	10.36	-61.88
CC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(N2CCCC2)=[NH+]1	REAL300013997640	1	48	0.0	-63.61	369.01	6.72	-56.89
CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCC[N@@H+](C2CCC2)C1	REAL300013997642	0	52	0.0	-67.96	380.56	8.00	-59.96
CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCC[N@H+](C2CCC2)C1	REAL300013997642	1	52	0.0	-70.93	387.58	8.00	-62.93
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC3CCC(C2)[N@@H+]3CC2=CC=CC=C2)C1	REAL300013997645	0	53	0.0	-66.03	374.27	9.66	-56.37
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC3CCC(C2)[N@H+]3CC2=CC=CC=C2)C1	REAL300013997645	1	53	0.0	-68.38	381.22	10.36	-58.02
O=C(NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997646	0	50	0.0	-68.44	392.64	5.00	-63.44
O=C(NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997646	1	50	0.0	-65.18	388.90	5.63	-59.55
CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013997661	0	57	0.0	-72.39	410.18	9.88	-62.51
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CSCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300013997673	1	50	0.0	-75.73	390.09	8.14	-67.59
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CSCC[N@H+]2CC2=CC=CC=C2)C1	REAL300013997673	1	50	0.0	-74.98	389.26	8.11	-66.87
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2C[N@H+](CC3=CC=CC=C3)CCCO2)C1	REAL300013997675	0	53	0.0	-72.96	404.99	7.30	-65.66
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2C[N@@H+](CC3=CC=CC=C3)CCCO2)C1	REAL300013997675	1	53	0.0	-73.02	405.68	7.23	-65.79
CC1C[N@H+](CCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCCO1	REAL300013997698	0	49	0.0	-72.59	369.98	5.04	-67.55
CC1C[N@@H+](CCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCCO1	REAL300013997698	1	49	0.0	-72.46	369.96	5.05	-67.41
CN1CC[NH+](CC2CCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013997701	0	54	0.0	-75.09	393.86	6.71	-68.38
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997716	0	48	0.0	-72.34	379.49	8.31	-64.03
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997716	1	48	0.0	-72.00	378.47	8.22	-63.78
CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997733	0	51	0.0	-67.43	372.03	8.74	-58.69
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013997743	0	52	0.0	-71.77	378.33	9.55	-62.22
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC3C(CCC[N@@H+]3CC3=CC=CC=C3)C2)C1	REAL300013997780	0	56	0.0	-72.72	412.82	10.99	-61.73
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC3C(CCC[N@H+]3CC3=CC=CC=C3)C2)C1	REAL300013997780	1	56	0.0	-71.71	412.70	10.99	-60.72
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013997788	0	50	0.0	-72.72	373.06	6.63	-66.09
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013997788	1	50	0.0	-72.37	374.23	6.65	-65.72
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)C1	REAL300013997789	0	49	0.0	-70.08	355.14	8.29	-61.79
CC1=CC=[NH+]C(N2CCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300013997793	1	45	0.0	-66.35	348.83	6.75	-59.60
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(C3=CC=CC(Cl)=C3)CC2)C1	REAL300013997795	1	51	0.0	-77.10	408.49	6.60	-70.50
NC1=CN=[NH+]C(NNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1Cl	REAL300013997800	0	33	0.0	-60.33	292.77	1.61	-58.72
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CCCC3C[N@H+](CC4=CC=CC=C4)CC32)C1	REAL300013997828	0	56	0.0	-72.92	425.08	9.65	-63.27
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CCCC3C[N@@H+](CC4=CC=CC=C4)CC32)C1	REAL300013997828	1	56	0.0	-72.54	417.60	10.11	-62.43
C[NH+](C)CC(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300013997865	0	45	0.0	-67.13	362.04	7.27	-59.86
CC(C)OC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013997873	0	55	0.0	-73.54	421.54	7.77	-65.77
CC(C)CC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013997880	0	57	0.0	-70.46	433.31	9.60	-60.86
CC1C(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300013997893	0	49	0.0	-71.24	380.12	8.51	-62.73
CC1C(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@H+]1CC1=CC=CC=C1	REAL300013997893	1	49	0.0	-69.57	372.33	7.93	-61.64
C[N@H+](CC1=CC=CC=C1)C1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013997901	0	49	0.0	-73.90	379.94	9.20	-64.70
C[N@@H+](CC1=CC=CC=C1)C1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013997901	1	49	0.0	-73.99	380.27	9.20	-64.79
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[N@H+](CC3CCCC3)C2)C1	REAL300013997916	0	49	0.0	-72.01	369.37	7.10	-64.91
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[N@@H+](CC3CCCC3)C2)C1	REAL300013997916	1	49	0.0	-71.91	369.24	7.20	-64.71
O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL300013997938	0	53	0.0	-66.57	411.48	5.67	-60.90
O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO	REAL300013997938	1	53	0.0	-66.91	401.71	5.31	-61.60
CC[NH+](CC)CCOCCN(CC1=CC=CC=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997971	0	61	0.0	-70.54	460.34	11.19	-59.35
CC[NH+](CC)CCOCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013997982	0	48	0.0	-67.53	367.09	4.61	-62.92
CN1CC[NH+](CC2(C)CCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013997986	0	57	0.0	-72.68	398.12	6.75	-65.93
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3=COC(C4=CC=CC=C4)=N3)CC2)C1	REAL300013997998	1	55	0.0	-74.66	438.67	6.60	-68.06
CC1=C[NH+]=CC=C1OC1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013998006	1	47	0.0	-73.54	366.02	7.33	-66.21
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013998023	0	50	0.0	-72.67	360.72	6.43	-66.24
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013998023	1	50	0.0	-70.48	362.87	6.67	-63.81
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013998024	0	50	0.0	-72.00	362.50	6.67	-65.33
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013998024	1	50	0.0	-72.86	361.06	6.42	-66.44
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013998031	0	51	0.0	-73.10	408.14	5.60	-67.50
CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013998033	0	52	0.0	-70.30	393.24	5.91	-64.39
CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013998033	1	52	0.0	-70.30	393.24	5.91	-64.39
CN(CCCN(C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CC[NH+](C)C	REAL300013998033	1	52	0.0	-72.41	393.47	6.07	-66.34
CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013998034	0	54	0.0	-69.98	393.89	9.52	-60.46
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013998038	0	48	0.0	-74.32	376.30	8.13	-66.19
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013998038	1	48	0.0	-73.23	376.46	8.15	-65.08
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300013998081	0	49	0.0	-74.01	380.64	8.11	-65.90
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300013998081	1	49	0.0	-74.10	380.98	8.11	-65.99
CN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013998093	0	52	0.0	-72.79	397.91	10.23	-62.56
CN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013998093	1	52	0.0	-71.97	400.23	10.27	-61.70
CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013998103	0	57	0.0	-68.84	403.17	6.96	-61.88
CC(C)C[N@@H+]1CCCC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013998124	0	51	0.0	-70.76	380.69	7.35	-63.41
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CC1CCCC[N@@H+]1CC1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013998367	0	55	0.0	-67.95	393.63	9.74	-58.21
CC1CCCC[N@H+]1CC1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013998367	1	55	0.0	-65.18	392.94	9.59	-55.59
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CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013998507	0	54	0.0	-74.31	407.56	8.96	-65.35
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013998507	1	54	0.0	-74.15	407.16	8.95	-65.20
CC1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@@H+](C2CCC2)C1	REAL300013998556	0	49	0.0	-68.39	352.85	9.12	-59.27
CC1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC[N@H+](C2CCC2)C1	REAL300013998556	1	49	0.0	-65.69	359.50	9.06	-56.63
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C[NH+](C)CCOC1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013998586	0	49	0.0	-71.06	371.38	6.87	-64.19
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CC1CCC([NH+]2CCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013998762	0	52	0.0	-69.98	368.52	8.70	-61.28
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O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013999495	1	49	0.0	-76.59	386.48	10.63	-65.96
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](CC3=CC=C(Cl)C=C3)CC2)C1	REAL300013999495	1	49	0.0	-76.93	386.48	10.64	-66.29
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(N3CCOCC3)[NH+]=C2)C1	REAL300013999507	1	46	0.0	-67.65	365.54	3.32	-64.33
CC1C[NH+](C(C)(C)CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC(C)O1	REAL300013999508	1	52	0.0	-66.06	373.91	5.36	-60.70
C[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013999537	0	50	0.0	-75.27	392.81	5.49	-69.78
CC1C[NH+](CCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC(C)O1	REAL300013999546	0	49	0.0	-74.53	377.63	5.01	-69.52
CC(C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013999552	1	49	0.0	-69.50	356.53	5.36	-64.14
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=[NH+]C(N3CCCCC3)=C2)C1	REAL300013999553	1	48	0.0	-66.10	374.45	5.99	-60.11
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=[NH+]C(N3CCCC3)=C2)C1	REAL300013999554	1	45	0.0	-67.30	359.42	5.08	-62.22
CCC(CC)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300013999557	0	55	0.0	-64.01	380.79	6.35	-57.66
CC(C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCN(C)CC1	REAL300013999558	0	53	0.0	-68.19	381.87	5.28	-62.91
CC(C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300013999558	1	53	0.0	-69.51	384.07	4.50	-65.01
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CC(C)C	REAL300013999559	0	53	0.0	-65.94	371.61	6.77	-59.17
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999561	0	49	0.0	-70.32	377.50	8.70	-61.62
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC(C2=CC=CC=C2)[NH+]2CCCC2)C1	REAL300013999563	0	49	0.0	-67.90	380.09	8.12	-59.78
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013999571	0	55	0.0	-69.04	436.47	10.38	-58.66
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(C3=CC=[NH+]C4=CC(Cl)=CC=C43)CC2)C1	REAL300013999576	1	48	0.0	-70.18	393.49	8.27	-61.91
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300013999578	1	52	0.0	-78.04	407.28	6.49	-71.55
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C1	REAL300013999590	0	49	0.0	-71.12	354.99	8.32	-62.80
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CC[NH+](C(C3=CC=CC=C3)C3=CC=CC=C3)CC2)C1	REAL300013999601	1	56	0.0	-69.39	426.64	12.47	-56.92
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013999602	1	46	0.0	-73.47	355.09	8.79	-64.68
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999620	1	55	0.0	-69.66	407.86	8.74	-60.92
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999620	1	55	0.0	-71.00	409.09	8.70	-62.30
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999621	0	52	0.0	-71.08	385.82	10.79	-60.29
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999621	1	52	0.0	-71.10	386.08	10.74	-60.36
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCC3=CC=CC=C3)CC2)C1	REAL300013999630	0	52	0.0	-75.13	403.52	9.00	-66.13
C[NH+](C)CCN1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999631	0	50	0.0	-73.00	376.16	4.09	-68.91
CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999631	1	50	0.0	-72.04	377.12	3.98	-68.06
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3=CC=CC=N3)CC2)C1	REAL300013999632	0	48	0.0	-74.21	375.78	6.64	-67.57
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999633	0	52	0.0	-73.24	397.11	8.81	-64.43
CC1CC[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013999634	0	55	0.0	-74.14	423.38	9.35	-64.79
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013999635	0	55	0.0	-71.52	413.12	8.96	-62.56
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013999635	1	55	0.0	-71.47	413.10	8.96	-62.51
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013999636	0	55	0.0	-60.57	406.57	9.20	-51.37
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013999636	1	55	0.0	-61.97	404.09	9.90	-52.07
CC1C[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC(C)O1	REAL300013999637	0	56	0.0	-76.21	436.52	7.81	-68.40
CC1CCC[N@H+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013999638	0	55	0.0	-73.36	423.66	9.38	-63.98
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013999638	1	55	0.0	-73.33	423.71	9.38	-63.95
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013999639	0	55	0.0	-65.43	411.02	9.64	-55.79
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013999639	1	55	0.0	-63.92	409.17	9.30	-54.62
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013999640	0	51	0.0	-62.85	389.40	8.32	-54.53
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013999640	1	51	0.0	-63.89	385.38	8.82	-55.07
C[NH+](C)CCOC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013999641	0	49	0.0	-73.55	391.53	6.70	-66.85
C[NH+](C)CCOC1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013999642	0	49	0.0	-73.40	391.52	6.70	-66.70
C[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013999648	1	53	0.0	-84.26	415.26	6.75	-77.51
CC1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=[NH+]2)CC1	REAL300013999651	1	51	0.0	-64.80	395.03	6.40	-58.40
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(N3CCCC3)[NH+]=C2)C1	REAL300013999652	1	45	0.0	-64.74	359.67	5.07	-59.67
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=[NH+]C(N3CCOCC3)=C2)C1	REAL300013999653	1	46	0.0	-68.33	365.85	3.56	-64.77
O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013999654	0	49	0.0	-74.42	380.66	8.08	-66.34
O=C([O-])[C@H]1C[C@@H](NC(=O)NNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300013999661	0	55	0.0	-78.05	426.38	5.77	-72.28
CCN(CC)C1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=[NH+]1	REAL300013999675	1	47	0.0	-63.60	376.72	7.08	-56.52
C[NH+]1CCN(C2=CC(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=N2)CC1	REAL300013999676	0	50	0.0	-72.72	393.22	5.50	-67.22
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(N3CCCCCC3)[NH+]=C2)C1	REAL300013999677	1	51	0.0	-63.92	385.77	6.32	-57.60
CC1CN(C2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=[NH+]2)CCO1	REAL300013999678	1	49	0.0	-67.43	387.00	4.28	-63.15
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(N3CCCCC3)[NH+]=C2)C1	REAL300013999679	1	48	0.0	-64.41	374.14	5.81	-58.60
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C[NH+]=C2N2CCOCC2)C1	REAL300013999700	1	46	0.0	-70.38	368.42	3.86	-66.52
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=CC(C[NH+]3CCCC3)=C2)C1	REAL300013999701	0	49	0.0	-72.27	385.45	8.02	-64.25
CC[NH+](CC)CC1=CC=CC(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300013999702	0	51	0.0	-71.83	391.11	7.96	-63.87
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013999714	0	51	0.0	-73.12	402.19	10.47	-62.65
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013999715	0	49	0.0	-77.25	400.20	10.08	-67.17
CC[NH+](CC)CCOC1=CC=C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300013999750	0	55	0.0	-71.97	426.72	8.05	-63.92
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013999751	0	55	0.0	-67.05	421.80	7.81	-59.24
CC[NH+]1CCN(C2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=N2)CC1	REAL300013999753	0	53	0.0	-73.58	410.04	6.13	-67.45
CC[NH+]1CCN(CC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013999754	0	57	0.0	-72.39	437.48	7.00	-65.39
CCN1CC[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300013999754	1	57	0.0	-74.32	437.52	7.02	-67.30
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999755	0	57	0.0	-63.96	432.68	8.39	-55.57
CCN1CC[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999755	1	57	0.0	-64.22	428.78	7.90	-56.32
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)C1	REAL300013999757	0	58	0.0	-73.81	444.55	9.97	-63.84
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013999758	0	58	0.0	-64.43	435.81	10.90	-53.53
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2=CC=C(N3CCC4=CC=CC=C4C3)[NH+]=C2)C1	REAL300013999765	1	52	0.0	-68.24	412.54	7.87	-60.37
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC(C2=CC=CC(Cl)=C2)[NH+]2CCCC2)C1	REAL300013999767	0	49	0.0	-68.13	392.47	9.21	-58.92
C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999768	1	46	0.0	-85.85	361.06	4.16	-81.69
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013999772	0	48	0.0	-64.38	368.92	7.91	-56.47
CC(C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCC(C)CC1	REAL300013999773	0	54	0.0	-65.81	383.84	8.31	-57.50
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013999774	0	54	0.0	-65.84	391.57	8.37	-57.47
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1	REAL300013999775	0	59	0.0	-80.97	444.42	7.70	-73.27
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300013999776	0	46	0.0	-74.51	361.11	7.32	-67.19
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300013999776	1	46	0.0	-74.46	361.12	7.32	-67.14
CCC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300013999778	0	52	0.0	-69.89	386.23	9.34	-60.55
CCC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300013999778	1	52	0.0	-70.41	386.69	8.30	-62.11
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300013999779	0	51	0.0	-70.66	365.04	7.71	-62.95
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CSC=C1	REAL300013999781	0	42	0.0	-70.32	343.72	5.88	-64.44
C[N@H+](CCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300013999782	0	51	0.0	-71.93	378.83	7.15	-64.78
C[N@@H+](CCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300013999782	1	51	0.0	-71.79	378.86	7.15	-64.64
CC1CC(C)C[NH+](CCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013999784	0	51	0.0	-71.71	385.70	7.11	-64.60
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300013999785	0	49	0.0	-75.93	382.61	8.11	-67.82
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300013999785	1	49	0.0	-76.08	382.31	8.11	-67.97
O=C([O-])[C@H]1C[C@@H](NC(=O)NC(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300013999788	0	49	0.0	-68.10	383.79	8.85	-59.25
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300013999791	0	45	0.0	-70.80	352.55	6.93	-63.87
CN1CC[N@H+](CCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300013999816	0	57	0.0	-72.93	423.92	6.30	-66.63
CN1CC[N@@H+](CCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300013999816	1	57	0.0	-71.48	434.97	6.93	-64.55
C[N@@H+]1CCN(CCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300013999816	1	57	0.0	-75.61	436.41	7.26	-68.35
C[N@H+]1CCN(CCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)C1	REAL300013999816	1	57	0.0	-77.14	429.69	6.99	-70.15
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300013999817	0	54	0.0	-76.90	413.23	6.88	-70.02
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCN2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300013999818	0	57	0.0	-74.30	437.57	7.05	-67.25
O=C([O-])[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(CC3=CC=CC=C3)CC2)C1	REAL300013999818	1	57	0.0	-74.45	437.16	6.95	-67.50
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1	REAL300013999819	0	50	0.0	-76.91	368.64	6.87	-70.04
CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999826	0	61	0.0	-81.75	449.86	7.61	-74.14
CC1CC[NH+](CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999870	0	51	0.0	-72.14	386.77	7.36	-64.78
CC1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013999871	0	51	0.0	-69.60	382.64	7.22	-62.38
CC1CCCC[N@H+]1CCCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300013999871	1	51	0.0	-69.61	382.61	7.23	-62.38
CC1CCC[N@H+](CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013999872	0	51	0.0	-71.54	386.41	7.33	-64.21
CC1CCC[N@@H+](CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013999872	1	51	0.0	-71.19	380.06	7.35	-63.84
CCN1CC[NH+](CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999873	0	53	0.0	-72.56	400.18	4.97	-67.59
CC[NH+]1CCN(CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999873	1	53	0.0	-70.96	400.04	4.94	-66.02
CC1CC(C)C[NH+](CCCCNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300013999875	0	54	0.0	-71.97	407.61	7.93	-64.04
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC(C2=CC=CC=C2)[N@@H+]2CCC3=C(C=CS3)C2)C1	REAL300013999878	1	53	0.0	-71.45	422.89	10.04	-61.41
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC(C2=CC=CC=C2)[N@H+]2CCC3=C(C=CS3)C2)C1	REAL300013999878	1	53	0.0	-70.05	422.42	10.02	-60.03
CC(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300013999893	1	54	0.0	-72.00	405.75	6.70	-65.30
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(C3=CC=C(F)C=C3)CC2)C1	REAL300013999894	1	51	0.0	-78.42	397.84	6.15	-72.27
CC1=CC=CC(N2CC[NH+](CCCNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300013999896	0	57	0.0	-76.93	434.64	7.55	-69.38
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300013999897	0	60	0.0	-77.23	455.83	8.32	-68.91
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300013999898	1	52	0.0	-77.34	402.10	4.54	-72.80
C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300013999900	1	53	0.0	-86.40	396.45	7.34	-79.06
C=CC[NH+](CC=C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C(C)C	REAL300013999913	0	52	0.0	-64.02	374.01	7.03	-56.99
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+]2CCCC2)C=C1	REAL300013999915	0	53	0.0	-69.76	403.09	7.56	-62.20
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1	REAL300013999916	0	55	0.0	-66.31	381.73	7.86	-58.45
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1	REAL300013999917	0	49	0.0	-72.72	381.62	6.22	-66.50
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCCC2)C1	REAL300013999933	0	49	0.0	-66.85	373.40	6.99	-59.86
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	REAL300013999936	0	53	0.0	-66.85	372.48	5.43	-61.42
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+]2CCCCC2)C=C1	REAL300013999937	0	56	0.0	-71.80	423.82	8.10	-63.70
COC1=CC=C(C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[NH+](C)C)C=C1OC	REAL300013999948	0	53	0.0	-74.77	407.65	7.01	-67.76
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CS1	REAL300013999951	0	42	0.0	-68.27	338.37	5.69	-62.58
O=C([O-])[C@H]1C[C@@H](NC(=O)NCC(C2=CC=CO2)[NH+]2CCCC2)C1	REAL300013999980	0	46	0.0	-67.23	356.68	6.25	-60.98
COC1=CC=CC=C1C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCCC1	REAL300013999994	0	53	0.0	-64.25	401.53	8.11	-56.14
CC1CC[NH+](C(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CS2)CC1	REAL300013999995	0	52	0.0	-66.67	401.02	8.17	-58.50
CC[NH+](CC)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300013999997	0	51	0.0	-70.22	385.87	8.44	-61.78
C[NH+](C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300013999998	0	48	0.0	-69.41	365.53	8.30	-61.11